{"total":"46366","results":[["A1LWR","1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one","C23 H21 N3 O6","CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O","InChI=1S/C23H21N3O6/c1-13-15(22(29)20-18(27)8-5-9-19(20)28)10-11-17-21(13)25(23(30)24(17)2)12-14-6-3-4-7-16(14)26(31)32/h3-4,6-7,10-11,27H,5,8-9,12H2,1-2H3","","2024-01-17","2025-01-10","1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one","2025-01-15"],["XI3","(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide","C27 H25 F N6 O S","Cc1ccc(cc1F)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1;Cc1ccc(cc1F)n2cc3c(ncnc3N4CCC[CH](C4)C(=O)NCc5ccc6sccc6c5)n2;Cc1ccc(cc1F)n2cc3c(n2)ncnc3N4CCCC(C4)C(=O)NCc5ccc6c(c5)ccs6","InChI=1S/C27H25FN6OS/c1-17-4-6-21(12-23(17)28)34-15-22-25(32-34)30-16-31-26(22)33-9-2-3-20(14-33)27(35)29-13-18-5-7-24-19(11-18)8-10-36-24/h4-8,10-12,15-16,20H,2-3,9,13-14H2,1H3,(H,29,35)/t20-/m0/s1","","2022-11-21","2023-11-24","(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide","2023-11-29"],["G1G","7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-GUANOSINE","C22 H32 N10 O18 P3","O=C1NC(=Nc2c1n(c[n+]2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(OC)C6O)C)N;CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n+]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6C(=O)NC(=Nc56)N;Cn1c[n+](c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O","InChI=1S/C22H31N10O18P3/c1-30-6-32(16-10(30)18(37)29-22(24)27-16)19-13(35)11(33)7(47-19)3-45-51(38,39)49-53(42,43)50-52(40,41)46-4-8-12(34)14(44-2)20(48-8)31-5-25-9-15(31)26-21(23)28-17(9)36/h5-8,11-14,19-20,33-35H,3-4H2,1-2H3,(H8-,23,24,26,27,28,29,36,37,38,39,40,41,42,43)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2007-04-03","2011-06-04","2-amino-9-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium (non-preferred name)",""],["A1DEZ","N~2~-acetyl-N~6~-{(4M)-3-carboxy-4-[(10aR)-6-hydroxy-3-oxo-4,10a-dihydro-3H-xanthen-9-yl]benzene-1-carbonyl}-D-lysyl-L-alanyl-D-alpha-glutaminyl-N-[(2R)-3-oxobutan-2-yl]-L-lysinamide","C47 H58 N8 O13","CC(=O)C(C)NC(=O)C(CCCCN)NC(=O)CCC(NC(=O)C(C)NC(=O)C(NC(C)=O)CCCCNC(=O)c1ccc(C=2c3ccc(O)cc3OC3=CC(=O)C=CC=23)c(c1)C(=O)O)C(N)=O;C[CH](NC(=O)[CH](CCCCN)NC(=O)CC[CH](NC(=O)[CH](C)NC(=O)[CH](CCCCNC(=O)c1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)NC(C)=O)C(N)=O)C(C)=O;CC(C(=O)C)NC(=O)C(CCCCN)NC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(CCCCNC(=O)c1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)NC(=O)C","InChI=1S/C47H58N8O13/c1-24(26(3)56)51-46(65)37(9-5-7-19-48)54-40(60)18-17-35(42(49)61)55-43(62)25(2)52-45(64)36(53-27(4)57)10-6-8-20-50-44(63)28-11-14-31(34(21-28)47(66)67)41-32-15-12-29(58)22-38(32)68-39-23-30(59)13-16-33(39)41/h11-16,21-25,35-37,58H,5-10,17-20,48H2,1-4H3,(H2,49,61)(H,50,63)(H,51,65)(H,52,64)(H,53,57)(H,54,60)(H,55,62)(H,66,67)/t24-,25+,35-,36-,37+/m1/s1","","2026-04-27","2026-05-01","N~2~-acetyl-N~6~-[(4M)-3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1-carbonyl]-D-lysyl-L-alanyl-D-alpha-glutaminyl-N-[(2R)-3-oxobutan-2-yl]-L-lysinamide","2026-05-06"],["A1H8A","(1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide","C21 H19 F N6 O2 S","NC(=N)Nc1sc(CN2[CH](C(=O)NCc3ccc(F)cc3)c4ccccc4C2=O)cn1;c1ccc2c(c1)C(N(C2=O)Cc3cnc(s3)NC(=N)N)C(=O)NCc4ccc(cc4)F","InChI=1S/C21H19FN6O2S/c22-13-7-5-12(6-8-13)9-25-18(29)17-15-3-1-2-4-16(15)19(30)28(17)11-14-10-26-21(31-14)27-20(23)24/h1-8,10,17H,9,11H2,(H,25,29)(H4,23,24,26,27)/t17-/m0/s1","","2024-04-12","2024-08-09","(1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide","2024-08-14"],["A1A0Q","1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one","C16 H16 F N5 O","Fc1ccc2c3c(ncnc3[NH]c2c1)NN1C(=O)CCC1(C)C;CC1(C)CCC(=O)N1Nc2ncnc3[nH]c4cc(F)ccc4c23;CC1(CCC(=O)N1Nc2c3c4ccc(cc4[nH]c3ncn2)F)C","InChI=1S/C16H16FN5O/c1-16(2)6-5-12(23)22(16)21-15-13-10-4-3-9(17)7-11(10)20-14(13)18-8-19-15/h3-4,7-8H,5-6H2,1-2H3,(H2,18,19,20,21)","","2024-08-02","2025-08-15","1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one","2025-08-20"],["ZOG","4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid","C21 H21 F2 N O5 S","O=S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)c1ccc(F)c(F)c1;OC(=O)CCC(=O)c1ccc(cc1)[S](=O)(=O)N2CCC(CC2)c3ccc(F)c(F)c3;c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F","InChI=1S/C21H21F2NO5S/c22-18-6-3-16(13-19(18)23)14-9-11-24(12-10-14)30(28,29)17-4-1-15(2-5-17)20(25)7-8-21(26)27/h1-6,13-14H,7-12H2,(H,26,27)","","2021-05-14","2021-06-04","4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid","2021-06-09"],["A1BI3","(1R)-N-{5-[(dihydroxy-lambda~4~-sulfanyl)oxy]pyridin-3-yl}-2,3-dihydro-1H-indene-1-carboxamide","C15 H14 N2 O5 S","OS(=O)(=O)Oc1cc(cnc1)NC(=O)C1CCc2ccccc21;O[S](=O)(=O)Oc1cncc(NC(=O)[CH]2CCc3ccccc23)c1;c1ccc2c(c1)CCC2C(=O)Nc3cc(cnc3)OS(=O)(=O)O","InChI=1S/C15H14N2O5S/c18-15(14-6-5-10-3-1-2-4-13(10)14)17-11-7-12(9-16-8-11)22-23(19,20)21/h1-4,7-9,14H,5-6H2,(H,17,18)(H,19,20,21)/t14-/m1/s1","","2024-12-03","2025-11-14","5-{[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino}pyridin-3-yl hydrogen sulfate","2025-11-19"],["A1BI7","naphthalen-2-yl 3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5-[3-[[(2~{R})-2-[[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxypropyl]amino]-3-oxidanylidene-propyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-1-yl]prop-2-ynoate","C75 H96 Co N13 O16 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#CC(=O)Oc7ccc8ccccc8c7)[N]9C(=C(C)C%10=[N+]6C(=C5)[CH](CCC(N)=O)[C]%10(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12cnc%13cc(C)c(C)cc%12%13;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C(C1(C)C)CCC(=O)N)C)C#CC(=O)Oc1ccc2ccccc2c1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.C13H7O2.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);3-9H;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","","2024-12-05","2025-09-19","naphthalen-2-yl 3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5-[3-[[(2~{R})-2-[[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxypropyl]amino]-3-oxidanylidene-propyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-1-yl]prop-2-ynoate","2025-09-24"],["A1A0R","(5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one","C20 H16 F N5 O","Fc1ccc2c3c(ncnc3[NH]c2c1)NN1C(=O)CCC1c1ccccc1;Fc1ccc2c([nH]c3ncnc(NN4[CH](CCC4=O)c5ccccc5)c23)c1;c1ccc(cc1)C2CCC(=O)N2Nc3c4c5ccc(cc5[nH]c4ncn3)F","InChI=1S/C20H16FN5O/c21-13-6-7-14-15(10-13)24-19-18(14)20(23-11-22-19)25-26-16(8-9-17(26)27)12-4-2-1-3-5-12/h1-7,10-11,16H,8-9H2,(H2,22,23,24,25)/t16-/m1/s1","","2024-08-02","2025-08-15","(5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one","2025-08-20"],["A1H8B","(3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione","C26 H21 F2 N5 O2","Nc1ccc2[nH]c(CN3C(=O)c4cc(F)ccc4[C]35CCN(Cc6ccc(F)cc6)C5=O)cc2n1;c1cc(ccc1CN2CCC3(C2=O)c4ccc(cc4C(=O)N3Cc5cc6c([nH]5)ccc(n6)N)F)F","InChI=1S/C26H21F2N5O2/c27-16-3-1-15(2-4-16)13-32-10-9-26(25(32)35)20-6-5-17(28)11-19(20)24(34)33(26)14-18-12-22-21(30-18)7-8-23(29)31-22/h1-8,11-12,30H,9-10,13-14H2,(H2,29,31)/t26-/m0/s1","","2024-04-12","2024-08-09","(3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione","2024-08-14"],["A1LWU","4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile","C26 H23 N3 O5","CN1C(=O)CN(Cc2ccc(cc2)C#N)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(CC(=O)N2C)Cc3ccc(cc3)C#N)C(=O)C4=C(CCCC4=O)O","InChI=1S/C26H23N3O5/c1-15-18(25(33)24-20(30)4-3-5-21(24)31)10-11-19-23(15)26(34)29(14-22(32)28(19)2)13-17-8-6-16(12-27)7-9-17/h6-11,30H,3-5,13-14H2,1-2H3","","2024-01-17","2025-01-10","4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile","2025-01-15"],["ZOH","(2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide","C18 H21 N3 O4","O=C(N1CCN(C(=O)Nc2ccc(OC)cc2)C(C)C1)c1ccoc1;COc1ccc(NC(=O)N2CCN(C[CH]2C)C(=O)c3cocc3)cc1;CC1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3ccoc3","InChI=1S/C18H21N3O4/c1-13-11-20(17(22)14-7-10-25-12-14)8-9-21(13)18(23)19-15-3-5-16(24-2)6-4-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,23)/t13-/m1/s1","","2023-03-17","2023-03-24","(2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide","2023-03-29"],["G1H","2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one","C16 H16 F3 N3 O4","C[CH]1CCC[CH](C)N1C2=NC(=O)c3cc(cc(c3O2)[N+]([O-])=O)C(F)(F)F;CC1CCCC(N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C","InChI=1S/C16H16F3N3O4/c1-8-4-3-5-9(2)21(8)15-20-14(23)11-6-10(16(17,18)19)7-12(22(24)25)13(11)26-15/h6-9H,3-5H2,1-2H3/t8-,9+","","2018-08-21","2024-09-27","2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one","2018-08-29"],["XI4","3-cyclopropyl-5-{3-ethyl-2-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenoxy}benzonitrile","C22 H21 F N4 O3","N#Cc1cc(cc(c1)C1CC1)Oc1c(OCC2=NNC(=O)N2C)ccc(CC)c1F;CCc1ccc(OCC2=NNC(=O)N2C)c(Oc3cc(cc(c3)C4CC4)C#N)c1F;CCc1ccc(c(c1F)Oc2cc(cc(c2)C3CC3)C#N)OCC4=NNC(=O)N4C","InChI=1S/C22H21FN4O3/c1-3-14-6-7-18(29-12-19-25-26-22(28)27(19)2)21(20(14)23)30-17-9-13(11-24)8-16(10-17)15-4-5-15/h6-10,15H,3-5,12H2,1-2H3,(H,26,28)","","2023-06-06","2024-12-13","3-cyclopropyl-5-{3-ethyl-2-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenoxy}benzonitrile","2024-12-18"],["A1E3Y","(3R)-3-azanyl-3-phenyl-propanoic acid","C9 H11 N O2","N[CH](CC(O)=O)c1ccccc1;c1ccc(cc1)C(CC(=O)O)N","InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1","","2026-01-15","2026-05-01","(3~{R})-3-azanyl-3-phenyl-propanoic acid","2026-05-06"],["A1LWV","(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid","C11 H20 N2 O4","N[CH](CCCCNC(=O)CCCC=O)C(O)=O;C(CCNC(=O)CCCC=O)CC(C(=O)O)N","InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1","","2024-01-18","2024-09-27","(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid","2024-01-24"],["ZOI","N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea","C19 H21 N5 O3","COC1(CCOC1)c1nc(ccc1)c1cn(C)c2cnc(NC(N)=O)cc21;CO[C]1(CCOC1)c2cccc(n2)c3cn(C)c4cnc(NC(N)=O)cc34;Cn1cc(c2c1cnc(c2)NC(=O)N)c3cccc(n3)C4(CCOC4)OC","InChI=1S/C19H21N5O3/c1-24-10-13(12-8-17(23-18(20)25)21-9-15(12)24)14-4-3-5-16(22-14)19(26-2)6-7-27-11-19/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,23,25)/t19-/m0/s1","","2023-06-29","2023-10-13","N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea","2023-10-18"],["A1H8F","N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide","C18 H24 Cl N3 O","CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23;CCCC(=O)NCCCN1CCc2c3cc(ccc3[nH]c2C1)Cl","InChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23)","","2024-04-15","2024-07-19","~{N}-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide","2024-07-24"],["A1A0Z","(5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one","C20 H16 F N5 O","Fc1ccc2c3c(ncnc3[NH]c2c1)NN1C(=O)CCC1c1ccccc1;Fc1ccc2c([nH]c3ncnc(NN4[CH](CCC4=O)c5ccccc5)c23)c1;c1ccc(cc1)C2CCC(=O)N2Nc3c4c5ccc(cc5[nH]c4ncn3)F","InChI=1S/C20H16FN5O/c21-13-6-7-14-15(10-13)24-19-18(14)20(23-11-22-19)25-26-16(8-9-17(26)27)12-4-2-1-3-5-12/h1-7,10-11,16H,8-9H2,(H2,22,23,24,25)/t16-/m0/s1","","2024-08-02","2025-08-15","(5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one","2025-08-20"],["XI5","[(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid","C19 H29 N2 O6 P","CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O;CC(C)CC(C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(=O)C)P(=O)(O)O","InChI=1S/C19H29N2O6P/c1-11(2)10-16(28(25,26)27)18(23)21-17(12(3)4)19(24)20-15-8-6-14(7-9-15)13(5)22/h6-9,11-12,16-17H,10H2,1-5H3,(H,20,24)(H,21,23)(H2,25,26,27)/t16-,17-/m0/s1","","2023-11-02","2024-10-11","[(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid","2024-10-16"],["G1I","(5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol","C11 H15 N O3","CN[CH]1CCc2c(O)c(O)ccc2[CH]1O;CNC1CCc2c(ccc(c2O)O)C1O","InChI=1S/C11H15NO3/c1-12-8-4-2-7-6(10(8)14)3-5-9(13)11(7)15/h3,5,8,10,12-15H,2,4H2,1H3/t8-,10-/m1/s1","","2022-05-02","2023-04-21","(5~{R},6~{R})-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol","2023-04-26"],["A1BIQ","2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile","C19 H11 F N4","Fc1ccc(cc1)c1nc2cc(ccn2c1c1ccncc1)C#N;Fc1ccc(cc1)c2nc3cc(ccn3c2c4ccncc4)C#N;c1cc(ccc1c2c(n3ccc(cc3n2)C#N)c4ccncc4)F","InChI=1S/C19H11FN4/c20-16-3-1-14(2-4-16)18-19(15-5-8-22-9-6-15)24-10-7-13(12-21)11-17(24)23-18/h1-11H","","2024-12-01","2025-01-03","(4R)-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile","2025-01-08"],["A1ERT","7-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-g]chromen-6-one","C28 H25 N O6","COc1ccc(cc1)C2=C(OC)C(=O)c3c(O2)cc4OC(C)(C)C=Cc4c3OCc5ccncc5;CC1(C=Cc2c(cc3c(c2OCc4ccncc4)C(=O)C(=C(O3)c5ccc(cc5)OC)OC)O1)C","InChI=1S/C28H25NO6/c1-28(2)12-9-20-21(35-28)15-22-23(26(20)33-16-17-10-13-29-14-11-17)24(30)27(32-4)25(34-22)18-5-7-19(31-3)8-6-18/h5-15H,16H2,1-4H3","","2025-06-10","2026-05-01","7-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-g]chromen-6-one","2026-05-06"],["A1A1Q","(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide","C28 H26 Cl2 F2 N4 O3","O=C(/C=C/c1[NH]cc(C(=O)NC(CC(N)=O)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1CCCCC1;NC(=O)C[CH](NC(=O)c1c[nH]c(C=CC(=O)N2CCCCC2)c1c3ccc(Cl)cc3F)c4ccc(F)c(Cl)c4;c1cc(c(cc1C(CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)C=CC(=O)N4CCCCC4)Cl)F","InChI=1S/C28H26Cl2F2N4O3/c29-17-5-6-18(22(32)13-17)27-19(15-34-23(27)8-9-26(38)36-10-2-1-3-11-36)28(39)35-24(14-25(33)37)16-4-7-21(31)20(30)12-16/h4-9,12-13,15,24,34H,1-3,10-11,14H2,(H2,33,37)(H,35,39)/b9-8+/t24-/m0/s1","","2024-08-13","2024-12-13","(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide","2024-12-18"],["ZOK","(2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","C13 H16 F3 N3 O3","O=C(N1CCN(C(=O)NCC(F)(F)F)C(C)C1)c1ccco1;C[CH]1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2occc2;CC1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2ccco2","InChI=1S/C13H16F3N3O3/c1-9-7-18(11(20)10-3-2-6-22-10)4-5-19(9)12(21)17-8-13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,21)/t9-/m0/s1","","2023-03-17","2023-03-24","(2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","2023-03-29"],["A1LXA","L-2-keto-3-deoxyfuconate","C6 H10 O5","C[CH]1O[C](O)(C[CH]1O)C(O)=O;CC1C(CC(O1)(C(=O)O)O)O","InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1","(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid","2024-01-31","2024-07-05","(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid","2024-07-10"],["A1H9A","3-(cyclooctylamino)-2,6-difluoro-4-((3-hydroxypropyl)sulfonyl)-5-(piperidin-1-yl)benzenesulfonamide","C22 H35 F2 N3 O5 S2","N[S](=O)(=O)c1c(F)c(NC2CCCCCCC2)c(c(N3CCCCC3)c1F)[S](=O)(=O)CCCO;C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCCO)N3CCCCC3)F)S(=O)(=O)N)F","InChI=1S/C22H35F2N3O5S2/c23-17-19(26-16-10-5-2-1-3-6-11-16)22(33(29,30)15-9-14-28)20(27-12-7-4-8-13-27)18(24)21(17)34(25,31)32/h16,26,28H,1-15H2,(H2,25,31,32)","3-(cyclooctylamino)-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)-5-piperidin-1-yl-benzenesulfonamide","2024-04-24","2025-05-09","3-(cyclooctylamino)-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)-5-piperidin-1-yl-benzenesulfonamide","2025-05-14"],["A1BIV","6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione","C22 H17 Cl N4 O3","Clc1ccc(cc1)c1[NH]c2c(C(=O)NC(=O)N2C)c1C1c2ccccc2N(C)C1=O;CN1C(=O)NC(=O)c2c1[nH]c(c3ccc(Cl)cc3)c2[CH]4C(=O)N(C)c5ccccc45;CN1c2ccccc2C(C1=O)c3c4c([nH]c3c5ccc(cc5)Cl)N(C(=O)NC4=O)C","InChI=1S/C22H17ClN4O3/c1-26-14-6-4-3-5-13(14)15(21(26)29)16-17-19(27(2)22(30)25-20(17)28)24-18(16)11-7-9-12(23)10-8-11/h3-10,15,24H,1-2H3,(H,25,28,30)/t15-/m0/s1","","2024-12-02","2025-02-21","6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione","2025-02-26"],["A1ESP","~{N}-[3-[2-[[3-[2-(dimethylamino)ethylsulfamoylmethyl]phenyl]amino]pyrimidin-4-yl]-1-methyl-indol-6-yl]propanamide","C27 H33 N7 O3 S","CCC(=O)Nc1ccc2c(c1)n(C)cc2c3ccnc(Nc4cccc(C[S](=O)(=O)NCCN(C)C)c4)n3;CCC(=O)Nc1ccc2c(c1)n(cc2c3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C)C","InChI=1S/C27H33N7O3S/c1-5-26(35)30-21-9-10-22-23(17-34(4)25(22)16-21)24-11-12-28-27(32-24)31-20-8-6-7-19(15-20)18-38(36,37)29-13-14-33(2)3/h6-12,15-17,29H,5,13-14,18H2,1-4H3,(H,30,35)(H,28,31,32)","","2025-06-29","2026-05-01","~{N}-[3-[2-[[3-[2-(dimethylamino)ethylsulfamoylmethyl]phenyl]amino]pyrimidin-4-yl]-1-methyl-indol-6-yl]propanamide","2026-05-06"],["G1J","tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C29 H35 N3 O3 S","C(Cc1ccccc1)(C(=O)NCc2cnccc2)SCC(Cc3ccccc3)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCc3cccnc3","InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m1/s1","","2018-05-02","2019-03-29","tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2019-04-03"],["XI6","DZNep","C12 H14 N4 O3","Nc1nccc2n(cnc12)[CH]3C=C(CO)[CH](O)[CH]3O;c1cnc(c2c1n(cn2)C3C=C(C(C3O)O)CO)N","InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1","(1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; 3-Deazaneplanocin","2023-11-06","2024-11-01","(1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol","2024-11-06"],["ZOL","ZOLEDRONIC ACID","C5 H10 N2 O7 P2","O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O;OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O;c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)","(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID","2005-06-06","2021-03-01","[1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid)",""],["A1A1R","(8P)-3-(2,6-dichlorophenyl)-1-methyl-8-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-1,2,3,7-tetrahydro-4H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-4-one","C25 H25 Cl2 N7 O","Clc1cccc(Cl)c1N1CN(C)c2c3cc([NH]c3ncc2C1=O)c1cn(nc1)C1CCN(C)CC1;CN1CCC(CC1)n2cc(cn2)c3[nH]c4ncc5C(=O)N(CN(C)c5c4c3)c6c(Cl)cccc6Cl;CN1CCC(CC1)n2cc(cn2)c3cc4c5c(cnc4[nH]3)C(=O)N(CN5C)c6c(cccc6Cl)Cl","InChI=1S/C25H25Cl2N7O/c1-31-8-6-16(7-9-31)34-13-15(11-29-34)21-10-17-22-18(12-28-24(17)30-21)25(35)33(14-32(22)2)23-19(26)4-3-5-20(23)27/h3-5,10-13,16H,6-9,14H2,1-2H3,(H,28,30)","","2024-08-13","2025-09-05","(8P)-3-(2,6-dichlorophenyl)-1-methyl-8-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-1,2,3,7-tetrahydro-4H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-4-one","2025-09-10"],["XI7","2-4-DIOXO-4-PHENYLBUTANOIC ACID","C10 H8 O4","O=C(c1ccccc1)CC(=O)C(=O)O;OC(=O)C(=O)CC(=O)c1ccccc1;c1ccc(cc1)C(=O)CC(=O)C(=O)O","InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)","","2010-06-28","2011-06-04","2,4-dioxo-4-phenylbutanoic acid",""],["A1EZW","Cap-dependent endonuclease-IN-27","C23 H19 F2 N3 O4","CN1[CH]2CCOc3cc(F)c(F)cc3[CH](N2N4C=CC(=O)C(=C4C1=O)O)c5ccccc5;CN1C2CCOc3cc(c(cc3C(N2N4C=CC(=O)C(=C4C1=O)O)c5ccccc5)F)F","InChI=1S/C23H19F2N3O4/c1-26-19-8-10-32-18-12-16(25)15(24)11-14(18)20(13-5-3-2-4-6-13)28(19)27-9-7-17(29)22(30)21(27)23(26)31/h2-7,9,11-12,19-20,30H,8,10H2,1H3/t19-,20+/m0/s1","","2025-11-02","2026-05-01","","2026-05-06"],["A1BJD","3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid","C20 H18 Cl N5 O4","O=C(O)c1ncccc1C(=O)N(C)C(C)C(=O)Nc1cc(Cl)cc(c1)c1ncc[NH]1;C[CH](N(C)C(=O)c1cccnc1C(O)=O)C(=O)Nc2cc(Cl)cc(c2)c3[nH]ccn3;CC(C(=O)Nc1cc(cc(c1)Cl)c2[nH]ccn2)N(C)C(=O)c3cccnc3C(=O)O","InChI=1S/C20H18ClN5O4/c1-11(26(2)19(28)15-4-3-5-22-16(15)20(29)30)18(27)25-14-9-12(8-13(21)10-14)17-23-6-7-24-17/h3-11H,1-2H3,(H,23,24)(H,25,27)(H,29,30)/t11-/m0/s1","","2024-12-06","2024-12-27","3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid","2025-01-01"],["A1H9E","~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate","C24 H34 F N5 O7","CC(C)(C)OC(=O)NC1=CC(=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O)F;CC(C)(C)OC(=O)NC1=CC(=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)N)O)F","InChI=1S/C24H34FN5O7/c1-24(2,3)37-23(36)29-16-10-14(25)11-30(22(16)35)17(8-12-4-5-12)21(34)28-15(18(31)19(26)32)9-13-6-7-27-20(13)33/h10-13,15,17-18,31H,4-9H2,1-3H3,(H2,26,32)(H,27,33)(H,28,34)(H,29,36)/t13-,15+,17-,18-/m0/s1","","2024-04-24","2025-01-24","~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate","2025-01-29"],["A1LXF","2-[[(9R)-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid","C11 H11 B F O5","OC(=O)C(=C)C[CH]1O[B-](O)(O)c2cccc(F)c12;[B-]1(c2cccc(c2C(O1)CC(=C)C(=O)O)F)(O)O","InChI=1S/C11H11BFO5/c1-6(11(14)15)5-9-10-7(12(16,17)18-9)3-2-4-8(10)13/h2-4,9,16-17H,1,5H2,(H,14,15)/q-1/t9-/m1/s1","","2024-02-01","2025-01-31","2-[[(9~{R})-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid","2025-02-05"],["G1K","5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid","C17 H17 N3 O6","C3(NC(C2N(C(COc1ccccc1)=O)CCC2)=NC(=C3O)C(O)=O)=O;OC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3;c1ccc(cc1)OCC(=O)N2CCCC2C3=NC(=C(C(=O)N3)O)C(=O)O","InChI=1S/C17H17N3O6/c21-12(9-26-10-5-2-1-3-6-10)20-8-4-7-11(20)15-18-13(17(24)25)14(22)16(23)19-15/h1-3,5-6,11,22H,4,7-9H2,(H,24,25)(H,18,19,23)/t11-/m0/s1","SRI-29680","2017-07-11","2020-06-17","5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid","2018-01-03"],["A1BJE","3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H13 N5 O","Nc1ncnc2[NH]nc(c12)c1ccc(Oc2ccccc2)cc1;Nc1ncnc2[nH]nc(c3ccc(Oc4ccccc4)cc3)c12;c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4[nH]n3)N","InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)","","2024-12-06","2025-08-08","3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2025-08-13"],["A1LXR","Cer(d18:0/20:0)","C38 H77 N O3","CCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)O","InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1","N-(eicosanoyl)-dihydroceramide; N-(eicosanoyl)-sphinganine ","2024-02-05","2025-02-06","~{N}-[(2~{S},3~{R})-1,3-bis(oxidanyl)octadecan-2-yl]icosanamide","2025-02-05"],["XI8","2-[(5M,9aM)-7-(1-acetylpiperidin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide","C25 H26 Cl2 N4 O3","O=C(C)N1CCC(CC1)C=1C=CC2=NC=C(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)C(=O)N2C=1;CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC2=CN=C3C=CC(=CN3C2=O)C4CCN(CC4)C(C)=O;CC(=O)N1CCC(CC1)C2=CN3C(=NC=C(C3=O)CC(=O)N(C)Cc4ccc(c(c4)Cl)Cl)C=C2","InChI=1S/C25H26Cl2N4O3/c1-16(32)30-9-7-18(8-10-30)19-4-6-23-28-13-20(25(34)31(23)15-19)12-24(33)29(2)14-17-3-5-21(26)22(27)11-17/h3-6,11,13,15,18H,7-10,12,14H2,1-2H3","","2023-06-06","2024-12-13","2-[(5M,9aM)-7-(1-acetylpiperidin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide","2024-12-18"],["ZOM","[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid","C15 H14 Cl N O3","O=C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2;Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2;Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O","InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)","Zomepirac","2011-03-29","2020-06-17","[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid",""],["A1J20","~{N}-cyclopropyl-~{N}-[[4-[[2-(6-oxidanylhexanoyl)-1~{H}-isoquinolin-6-yl]carbamoyl]phenyl]methyl]-3-oxidanylidene-4~{H}-1,4-benzoxazine-7-carboxamide","C35 H36 N4 O6","OCCCCCC(=O)N1Cc2ccc(NC(=O)c3ccc(CN(C4CC4)C(=O)c5ccc6NC(=O)COc6c5)cc3)cc2C=C1;c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccc6c(c5)C=CN(C6)C(=O)CCCCCO","InChI=1S/C35H36N4O6/c40-17-3-1-2-4-33(42)38-16-15-25-18-28(11-9-27(25)21-38)36-34(43)24-7-5-23(6-8-24)20-39(29-12-13-29)35(44)26-10-14-30-31(19-26)45-22-32(41)37-30/h5-11,14-16,18-19,29,40H,1-4,12-13,17,20-22H2,(H,36,43)(H,37,41)","","2026-03-23","2026-05-01","~{N}-cyclopropyl-~{N}-[[4-[[2-(6-oxidanylhexanoyl)-1~{H}-isoquinolin-6-yl]carbamoyl]phenyl]methyl]-3-oxidanylidene-4~{H}-1,4-benzoxazine-7-carboxamide","2026-05-06"],["A1A1V","(11S,12R)-Mefloquine","C17 H16 F6 N2 O","OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1;O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F;c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O","InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1","(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol","2024-08-13","2025-12-19","(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol","2025-12-24"],["A1H9V","~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide","C5 H9 N3 O2 S","CN(C)[S](=O)(=O)c1c[nH]nc1;CN(C)S(=O)(=O)c1c[nH]nc1","InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)","N,N-dimethyl-1H-pyrazole-4-sulfonamide","2024-04-29","2024-05-03","~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide","2024-05-08"],["G1L","3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE","C12 H13 Cl F3 N O","FC(F)(F)c1ccc(NC(=O)C(C)(C)CCl)cc1;CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F;CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F","InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)","","2006-09-01","2011-06-04","3-chloro-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide",""],["G1M","2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine","C12 H20 N5 O12 P3","O=P(O)(O)C(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N;CC(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O","InChI=1S/C12H20N5O12P3/c1-5(30(20,21)22)31(23,24)29-32(25,26)27-3-7-6(18)2-8(28-7)17-4-14-9-10(17)15-12(13)16-11(9)19/h4-8,18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t5-,6+,7-,8-/m1/s1","","2009-09-14","2011-06-04","2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine",""],["A1J21","4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide","C37 H40 N4 O6","C[CH](C=CC1=NC(=O)COC1)C(=O)N(Cc2ccc(cc2)C(=O)Nc3cccc(CCN(C)C(=O)c4ccc(CO)cc4)c3)C5CC5;CC(C=CC1=NC(=O)COC1)C(=O)N(Cc2ccc(cc2)C(=O)Nc3cccc(c3)CCN(C)C(=O)c4ccc(cc4)CO)C5CC5","InChI=1S/C37H40N4O6/c1-25(6-15-32-23-47-24-34(43)38-32)36(45)41(33-16-17-33)21-27-7-11-29(12-8-27)35(44)39-31-5-3-4-26(20-31)18-19-40(2)37(46)30-13-9-28(22-42)10-14-30/h3-15,20,25,33,42H,16-19,21-24H2,1-2H3,(H,39,44)/b15-6-/t25-/m1/s1","","2026-03-23","2026-05-01","4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide","2026-05-06"],["A1A1Y","(2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide","C25 H30 N6 O2","O=C(NCCc1ccc2[NH]c(N)nc2c1)C1CCN1C(=O)C1CC(CCN1)c1ccccc1;Nc1[nH]c2ccc(CCNC(=O)[CH]3CCN3C(=O)[CH]4C[CH](CCN4)c5ccccc5)cc2n1;c1ccc(cc1)C2CCNC(C2)C(=O)N3CCC3C(=O)NCCc4ccc5c(c4)nc([nH]5)N","InChI=1S/C25H30N6O2/c26-25-29-19-7-6-16(14-20(19)30-25)8-11-28-23(32)22-10-13-31(22)24(33)21-15-18(9-12-27-21)17-4-2-1-3-5-17/h1-7,14,18,21-22,27H,8-13,15H2,(H,28,32)(H3,26,29,30)/t18-,21+,22-/m0/s1","","2024-08-13","2025-04-11","(2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide","2025-04-16"],["A1BJR","7-fluoro-N-[(3R)-oxolan-3-yl]-9H-pyrimido[4,5-b]indol-4-amine","C14 H13 F N4 O","Fc1ccc2c3c(ncnc3[NH]c2c1)NC1CCOC1;Fc1ccc2c([nH]c3ncnc(N[CH]4CCOC4)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCOC4","InChI=1S/C14H13FN4O/c15-8-1-2-10-11(5-8)19-14-12(10)13(16-7-17-14)18-9-3-4-20-6-9/h1-2,5,7,9H,3-4,6H2,(H2,16,17,18,19)/t9-/m1/s1","","2024-12-09","2025-08-15","7-fluoro-N-[(3R)-oxolan-3-yl]-9H-pyrimido[4,5-b]indol-4-amine","2025-08-20"],["ZON","1-(1,2-benzoxazol-3-yl)methanesulfonamide","C8 H8 N2 O3 S","O=S(=O)(N)Cc2noc1ccccc12;N[S](=O)(=O)Cc1noc2ccccc12;c1ccc2c(c1)c(no2)CS(=O)(=O)N","InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)","Zonisamide","2010-11-26","2021-03-01","1-(1,2-benzoxazol-3-yl)methanesulfonamide",""],["XI9","(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole","C8 H8 N6","[NH]1nc(c2nnn[NH]2)c2CC3CC3c12;C1[CH]2Cc3c([nH]nc3c4[nH]nnn4)[CH]12;C1c2c(n[nH]c2C3C1C3)c4[nH]nnn4","InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1","","2023-11-02","2025-02-21","(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole","2025-02-26"],["A1H9Y","(2R,3R)-3-[[(2S)-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide","C24 H35 N5 O6","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)C(C)C)C3=O;CC(C)C(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O","InChI=1S/C24H35N5O6/c1-13(2)20(31)27-16-5-4-10-29(24(16)35)18(11-14-6-7-14)22(33)28-17(19(30)23(34)25-3)12-15-8-9-26-21(15)32/h4-5,10,13-15,17-19,30H,6-9,11-12H2,1-3H3,(H,25,34)(H,26,32)(H,27,31)(H,28,33)/t15-,17+,18-,19+/m0/s1","","2024-04-29","2025-01-24","(2~{R},3~{R})-3-[[(2~{S})-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide","2025-01-29"],["A1LY3","5-(3-phenylmethoxypropyl)-1H-imidazole","C13 H16 N2 O","C(COCc1ccccc1)Cc2[nH]cnc2;c1ccc(cc1)COCCCc2cnc[nH]2","InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)","","2024-03-12","2024-10-11","5-(3-phenylmethoxypropyl)-1~{H}-imidazole","2024-10-16"],["A1BJV","(4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one","C18 H20 F N5 O","CCCN1CC(CNc2ncnc3[NH]c4cc(F)ccc4c32)CC1=O;CCCN1C[CH](CNc2ncnc3[nH]c4cc(F)ccc4c23)CC1=O;CCCN1CC(CC1=O)CNc2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C18H20FN5O/c1-2-5-24-9-11(6-15(24)25)8-20-17-16-13-4-3-12(19)7-14(13)23-18(16)22-10-21-17/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H2,20,21,22,23)/t11-/m1/s1","","2024-12-09","2025-08-15","(4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one","2025-08-20"],["XIA","(2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid","C17 H22 O4","CC(C)=CCC[C]1(C)Oc2ccc(cc2C[CH]1O)C(O)=O;CC(=CCCC1(C(Cc2cc(ccc2O1)C(=O)O)O)C)C","InChI=1S/C17H22O4/c1-11(2)5-4-8-17(3)15(18)10-13-9-12(16(19)20)6-7-14(13)21-17/h5-7,9,15,18H,4,8,10H2,1-3H3,(H,19,20)/t15-,17+/m0/s1","xiamenmycin B","2018-11-22","2020-06-17","(2~{R},3~{S})-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid","2019-11-20"],["ZOO","(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one","C22 H19 F4 N3 O2","O=C2N(C(=NC2(c1cc(C#CCCCF)c(F)cc1)c3ccc(OC(F)F)cc3)N)C;CN1C(=N[C](C1=O)(c2ccc(OC(F)F)cc2)c3ccc(F)c(c3)C#CCCCF)N;CN1C(=O)C(N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F","InChI=1S/C22H19F4N3O2/c1-29-19(30)22(28-21(29)27,15-6-9-17(10-7-15)31-20(25)26)16-8-11-18(24)14(13-16)5-3-2-4-12-23/h6-11,13,20H,2,4,12H2,1H3,(H2,27,28)/t22-/m1/s1","","2010-09-01","2011-08-26","(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one",""],["A1J52","(1~{R},2~{R})-1-[[4-[(5-~{tert}-butyl-1-methyl-pyrazol-3-yl)amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2,3-dihydro-1~{H}-inden-2-ol","C22 H26 N8 O","Cn1nc(Nc2nc(N[CH]3[CH](O)Cc4ccccc34)nc5[nH]ncc25)cc1C(C)(C)C;CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)NC4c5ccccc5CC4O","InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18-/m1/s1","","2026-04-28","2026-05-01","(1~{R},2~{R})-1-[[4-[(5-~{tert}-butyl-1-methyl-pyrazol-3-yl)amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2,3-dihydro-1~{H}-inden-2-ol","2026-05-06"],["A1A1Z","N-{[4-(2-amino-1H-imidazol-4-yl)phenyl]methyl}-2-[4-(benzenesulfonamido)phenyl]acetamide","C24 H23 N5 O3 S","Nc1nc(c[NH]1)c1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1;Nc1[nH]cc(n1)c2ccc(CNC(=O)Cc3ccc(N[S](=O)(=O)c4ccccc4)cc3)cc2;c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)CC(=O)NCc3ccc(cc3)c4c[nH]c(n4)N","InChI=1S/C24H23N5O3S/c25-24-27-16-22(28-24)19-10-6-18(7-11-19)15-26-23(30)14-17-8-12-20(13-9-17)29-33(31,32)21-4-2-1-3-5-21/h1-13,16,29H,14-15H2,(H,26,30)(H3,25,27,28)","","2024-08-13","2025-04-11","N-{[4-(2-amino-1H-imidazol-4-yl)phenyl]methyl}-2-[4-(benzenesulfonamido)phenyl]acetamide","2025-04-16"],["A1H9Z","tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate","C25 H36 F N5 O7","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=C(F)C=C(NC(=O)OC(C)(C)C)C3=O;CC(C)(C)OC(=O)NC1=CC(=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O)F","InChI=1S/C25H36FN5O7/c1-25(2,3)38-24(37)30-17-11-15(26)12-31(23(17)36)18(9-13-5-6-13)21(34)29-16(19(32)22(35)27-4)10-14-7-8-28-20(14)33/h11-14,16,18-19,32H,5-10H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,30,37)/t14-,16-,18-,19+/m0/s1","","2024-04-29","2025-01-24","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate","2025-01-29"],["A1LYA","[(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate","C42 H82 N O8 P","CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P]([O-])(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17+/t40-/m1/s1","","2024-02-15","2024-02-23","[(2~{R})-3-[(~{E})-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate","2024-02-28"],["G1N","5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid","C9 H7 N3 O4 S2","OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2;c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O","InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14)","","2018-08-21","2018-11-30","5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid","2018-12-05"],["A1LYE","(3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione","C11 H16 N4 O2","CC(C)[CH]1NC(=O)[CH](Cc2c[nH]cn2)NC1=O;CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]cn2","InChI=1S/C11H16N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h4-6,8-9H,3H2,1-2H3,(H,12,13)(H,14,17)(H,15,16)/t8-,9-/m0/s1","","2024-02-16","2025-01-31","(3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione","2025-02-05"],["A1JBF","7-(trifluoromethyl)-1~{H}-quinolin-4-one","C10 H6 F3 N O","FC(F)(F)c1ccc2C(=O)C=CNc2c1;c1cc2c(cc1C(F)(F)F)NC=CC2=O","InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)","","2025-04-28","2026-05-01","7-(trifluoromethyl)-1~{H}-quinolin-4-one","2026-05-06"],["XIB","N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine","C20 H22 N2 O6","Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NC(C)C(=O)O)cc1;C[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc2ccccc2","InChI=1S/C20H22N2O6/c1-13(19(25)26)21-18(24)17(11-14-7-9-16(23)10-8-14)22-20(27)28-12-15-5-3-2-4-6-15/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,27)(H,25,26)/t13-,17+/m1/s1","","2022-11-21","2023-08-25","N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine","2023-08-30"],["A1BJZ","3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol","C11 H13 N3 O","C=C(CCO)c1ncnc2[NH]c(C)cc12;Cc1[nH]c2ncnc(C(=C)CCO)c2c1;Cc1cc2c(ncnc2[nH]1)C(=C)CCO","InChI=1S/C11H13N3O/c1-7(3-4-15)10-9-5-8(2)14-11(9)13-6-12-10/h5-6,15H,1,3-4H2,2H3,(H,12,13,14)","","2024-12-09","2025-08-15","3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol","2025-08-20"],["G1O","5-amino-4-methylisoquinolin-1(2H)-one","C10 H10 N2 O","O=C1c2cccc(c2C(=CN1)C)N;CC1=CNC(=O)c2cccc(N)c12;CC1=CNC(=O)c2c1c(ccc2)N","InChI=1S/C10H10N2O/c1-6-5-12-10(13)7-3-2-4-8(11)9(6)7/h2-5H,11H2,1H3,(H,12,13)","","2014-08-08","2015-07-24","5-amino-4-methylisoquinolin-1(2H)-one","2015-07-29"],["ZOP","(3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE","C31 H34 N4 O2","O=C(N(CC)C)c1cc2c(cc1)/C(C(=O)N2)=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5;CCN(C)C(=O)c1ccc2c(NC(=O)C2=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c1;CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5","InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,32H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36)/b29-28-","","2010-03-03","2011-06-04","(3Z)-N-ethyl-N-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indole-6-carboxamide",""],["A1HZ9","[(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron","C7 H18 B N2 O5","NC[CH](CCC[B](O)(O)O)[CH](N)C(O)=O;B(CCCC(CN)C(C(=O)O)N)(O)(O)O","InChI=1S/C7H18BN2O5/c9-4-5(6(10)7(11)12)2-1-3-8(13,14)15/h5-6,13-15H,1-4,9-10H2,(H,11,12)/t5-,6+/m1/s1","","2023-12-14","2024-11-27","[(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron","2024-11-27"],["A1A2F","[(2R,3S)-3-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","C13 H18 N4 O","OCC1C(C)CCCN1c1ncnc2[NH]ccc12;C[CH]1CCCN([CH]1CO)c2ncnc3[nH]ccc23;CC1CCCN(C1CO)c2c3cc[nH]c3ncn2","InChI=1S/C13H18N4O/c1-9-3-2-6-17(11(9)7-18)13-10-4-5-14-12(10)15-8-16-13/h4-5,8-9,11,18H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,11-/m0/s1","","2024-08-16","2025-05-16","[(2R,3S)-3-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","2025-05-21"],["G1P","1-O-phosphono-alpha-D-glucopyranose","C6 H13 O9 P","O=P(O)(OC1OC(C(O)C(O)C1O)CO)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1","ALPHA-D-GLUCOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-glucose; 1-O-phosphono-D-glucose; 1-O-phosphono-glucose","1999-07-08","2020-07-17","1-O-phosphono-alpha-D-glucopyranose",""],["A1JQP","~{N}-[3-[[4-bromanyl-5-fluoranyl-2-[[(3~{S})-3-oxidanylpyrrolidin-1-yl]methyl]phenoxy]methyl]-2,4,5-tris(fluoranyl)phenyl]-2-chloranyl-4-methylsulfonyl-benzamide","C26 H22 Br Cl F4 N2 O5 S","C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)Nc2cc(F)c(F)c(COc3cc(F)c(Br)cc3CN4CC[CH](O)C4)c2F;CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2cc(c(c(c2F)COc3cc(c(cc3CN4CCC(C4)O)Br)F)F)F","InChI=1S/C26H22BrClF4N2O5S/c1-40(37,38)15-2-3-16(19(28)7-15)26(36)33-22-8-21(30)24(31)17(25(22)32)12-39-23-9-20(29)18(27)6-13(23)10-34-5-4-14(35)11-34/h2-3,6-9,14,35H,4-5,10-12H2,1H3,(H,33,36)/t14-/m0/s1","","2025-09-30","2026-05-01","~{N}-[3-[[4-bromanyl-5-fluoranyl-2-[[(3~{S})-3-oxidanylpyrrolidin-1-yl]methyl]phenoxy]methyl]-2,4,5-tris(fluoranyl)phenyl]-2-chloranyl-4-methylsulfonyl-benzamide","2026-05-06"],["ZOQ","N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide","C19 H20 N4 O3 S","CN(C)S(=O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)C1CC1;CN(C)[S](=O)(=O)c1cccc(c1)c2c[nH]c3cnc(NC(=O)C4CC4)cc23;CN(C)S(=O)(=O)c1cccc(c1)c2c[nH]c3c2cc(nc3)NC(=O)C4CC4","InChI=1S/C19H20N4O3S/c1-23(2)27(25,26)14-5-3-4-13(8-14)16-10-20-17-11-21-18(9-15(16)17)22-19(24)12-6-7-12/h3-5,8-12,20H,6-7H2,1-2H3,(H,21,22,24)","","2023-06-29","2023-10-13","N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide","2023-10-18"],["XIC","2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide","C18 H18 Cl2 N2 O3 S","O=S(=O)(c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl)N1CCCCC1;Clc1cc(Cl)c(cc1C(=O)Nc2ccccc2)[S](=O)(=O)N3CCCCC3;c1ccc(cc1)NC(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N3CCCCC3","InChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)","","2023-06-06","2024-12-13","2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide","2024-12-18"],["A1LYF","(3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione","C11 H14 N4 O2","CC(C)[CH]1NC(=O)C(NC1=O)=Cc2c[nH]cn2;CC(C)C1C(=O)NC(=Cc2c[nH]cn2)C(=O)N1","InChI=1S/C11H14N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h3-6,9H,1-2H3,(H,12,13)(H,14,17)(H,15,16)/b8-3-/t9-/m0/s1","","2024-02-16","2025-01-31","(3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione","2025-02-05"],["A1I0U","2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide","C23 H19 Cl2 F N4 O","Cc1cccc(C)c1Nc2n3cc(Cl)ccc3nc2c4ccc(NC(=O)CCl)cc4F;Cc1cccc(c1Nc2c(nc3n2cc(cc3)Cl)c4ccc(cc4F)NC(=O)CCl)C","InChI=1S/C23H19Cl2FN4O/c1-13-4-3-5-14(2)21(13)29-23-22(28-19-9-6-15(25)12-30(19)23)17-8-7-16(10-18(17)26)27-20(31)11-24/h3-10,12,29H,11H2,1-2H3,(H,27,31)","","2025-01-31","2025-07-25","2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide","2025-07-30"],["A1A3V","(2R)-1-(cyclohexylamino)propan-2-ol","C9 H19 N O","CC(O)CNC1CCCCC1;C[CH](O)CNC1CCCCC1;CC(CNC1CCCCC1)O","InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1","","2024-08-29","2024-11-01","(2R)-1-(cyclohexylamino)propan-2-ol","2024-11-06"],["A1BKA","9-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine","C15 H13 F N4 O","Fc1cccc2CN(CCOc12)c1ncnc2[NH]ccc21;Fc1cccc2CN(CCOc12)c3ncnc4[nH]ccc34;c1cc2c(c(c1)F)OCCN(C2)c3c4cc[nH]c4ncn3","InChI=1S/C15H13FN4O/c16-12-3-1-2-10-8-20(6-7-21-13(10)12)15-11-4-5-17-14(11)18-9-19-15/h1-5,9H,6-8H2,(H,17,18,19)","","2024-12-09","2025-08-15","9-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine","2025-08-20"],["ZOT","2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine","C18 H18 Cl N O S","CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13;CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl","InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3","","2017-08-17","2019-02-08","2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-~{N},~{N}-dimethyl-ethanamine","2019-02-13"],["G1R","[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C15 H23 N5 O15 P2","O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3OC(O)C(O)C3O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C15H23N5O15P2/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-9(23)7(21)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(22)10(24)14(26)34-5/h3-5,7-10,13-14,21-24,26H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,25)/t4-,5-,7+,8-,9-,10-,13-,14+/m1/s1","GUANOSINE DIPHOSPHORIBOSE","2006-08-30","2021-03-01","[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["A1JVE","1-[2-(5-bromanyl-7-fluoranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]-4,4-bis(fluoranyl)cyclohexane-1-carboxylic acid","C16 H14 Br F3 N2 O4 S","OC(=O)C1(CCC(F)(F)CC1)NC(=O)CN2C(=O)Sc3c(F)cc(Br)cc23;c1c(cc(c2c1N(C(=O)S2)CC(=O)NC3(CCC(CC3)(F)F)C(=O)O)F)Br","InChI=1S/C16H14BrF3N2O4S/c17-8-5-9(18)12-10(6-8)22(14(26)27-12)7-11(23)21-15(13(24)25)1-3-16(19,20)4-2-15/h5-6H,1-4,7H2,(H,21,23)(H,24,25)","1-[2-(5-bromo-7-fluoro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-4,4-difluorocyclohexane-1-carboxylic acid","2025-11-27","2026-05-01","1-[2-(5-bromanyl-7-fluoranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]-4,4-bis(fluoranyl)cyclohexane-1-carboxylic acid","2026-05-06"],["XID","(1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]","C6 H16 O18 P4","OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m1/s1","","2023-11-02","2023-11-10","(1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]","2023-11-15"],["A1I1F","methyl 4-[4-[4-[[(6S,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]furan-2-carboxylate","C29 H31 N3 O8","COC(=O)c1occ(c1)c2ccc(NC(=O)CCCOc3cc4N[CH](O)[CH]5CCCN5C(=O)c4cc3OC)cc2;COc1cc2c(cc1OCCCC(=O)Nc3ccc(cc3)c4cc(oc4)C(=O)OC)NC(C5CCCN5C2=O)O","InChI=1S/C29H31N3O8/c1-37-23-14-20-21(31-27(34)22-5-3-11-32(22)28(20)35)15-24(23)39-12-4-6-26(33)30-19-9-7-17(8-10-19)18-13-25(40-16-18)29(36)38-2/h7-10,13-16,22,27,31,34H,3-6,11-12H2,1-2H3,(H,30,33)/t22-,27-/m0/s1","","2025-02-07","2026-01-30","methyl 4-[4-[4-[[(6~{S},6~{a}~{S})-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6~{a},7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]furan-2-carboxylate","2026-02-04"],["A1A4E","(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","C32 H35 Cl N6 O3","O=C(C=CCN(C)C)N1CCCC1(C)C#Cc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC;COc1c(Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4C#C[C]5(C)CCCN5C(=O)C=CCN(C)C;CC1(CCCN1C(=O)C=CCN(C)C)C#Cc2cnccc2c3c(c4c([nH]3)CCNC4=O)Nc5cccc(c5OC)Cl","InChI=1S/C32H35ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6+/t32-/m1/s1","","2024-08-30","2025-05-09","(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","2025-05-14"],["A1MAU","4-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}-2-methylphenoxy]butyric acid","C22 H28 B10 F6 O4","Cc1cc(ccc1OCCCC(O)=O)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]%12%14([BH]58%13%19)[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F;[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787C911([BH]232[BH]715C4%1062c1ccc(c(c1)C)OCCCC(=O)O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H28B10F6O4/c1-12-11-15(8-9-16(12)42-10-2-3-17(39)40)22-23-21(14-6-4-13(5-7-14)18(41,19(33,34)35)20(36,37)38)24(22,23)26(21)28(22,24)30(22)27(22,23)25(21,23)29(21,26)31(25,27,30)32(26,28,29)30/h4-9,11,23-32,41H,2-3,10H2,1H3,(H,39,40)","","2025-07-07","2025-11-28","","2025-12-03"],["A1BKB","1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide","C15 H14 Br N5 O","NC(=O)C1(CC1)CNc1ncnc2[NH]c3cc(Br)ccc3c12;NC(=O)C1(CC1)CNc2ncnc3[nH]c4cc(Br)ccc4c23;c1cc2c(cc1Br)[nH]c3c2c(ncn3)NCC4(CC4)C(=O)N","InChI=1S/C15H14BrN5O/c16-8-1-2-9-10(5-8)21-13-11(9)12(19-7-20-13)18-6-15(3-4-15)14(17)22/h1-2,5,7H,3-4,6H2,(H2,17,22)(H2,18,19,20,21)","","2024-12-09","2025-08-15","1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide","2025-08-20"],["A1I2O","4-phenyl-1~{H}-1,2,4-triazol-5-one","C8 H7 N3 O","O=C1NN=CN1c2ccccc2;c1ccc(cc1)N2C=NNC2=O","InChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)","","2025-02-17","2026-01-16","4-phenyl-1~{H}-1,2,4-triazol-5-one","2026-01-21"],["XIE","Nicotinaldehyde","C6 H5 N O","O=Cc1cccnc1;O=Cc1cccnc1;c1cc(cnc1)C=O","InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H","NICOTINALDEHYDE","2022-11-22","2026-02-13","pyridine-3-carbaldehyde","2024-12-25"],["ZOU","4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide","C18 H21 N3 O4","O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco1;COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=O)c3occc3;Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)OC","InChI=1S/C18H21N3O4/c1-13-5-6-15(24-2)14(12-13)19-18(23)21-9-7-20(8-10-21)17(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)","","2023-03-17","2023-03-24","4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide","2023-03-29"],["A1BKV","N-[(2S)-1-{2-(dichloroacetyl)-2-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]hydrazin-1-yl}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C24 H27 Cl2 N5 O5","O=C1NC=CC=C1CN(NC(=O)C(CC(C)C)NC(=O)c1cc2c(OC)cccc2[NH]1)C(=O)C(Cl)Cl;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)NN(CC3=CC=CNC3=O)C(=O)C(Cl)Cl;CC(C)CC(C(=O)NN(CC1=CC=CNC1=O)C(=O)C(Cl)Cl)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H27Cl2N5O5/c1-13(2)10-17(29-22(33)18-11-15-16(28-18)7-4-8-19(15)36-3)23(34)30-31(24(35)20(25)26)12-14-6-5-9-27-21(14)32/h4-9,11,13,17,20,28H,10,12H2,1-3H3,(H,27,32)(H,29,33)(H,30,34)/t17-/m0/s1","","2024-12-10","2025-09-19","N-[(2S)-1-{2-(dichloroacetyl)-2-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]hydrazin-1-yl}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (non-preferred name)","2025-09-24"],["A1A4F","N-[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]-2-[(1H-imidazol-1-yl)methyl]benzene-1-sulfonamide","C20 H25 N5 O2 S","O=S(=O)(Nc1cc(CC2CCCCC2)n[NH]1)c1ccccc1Cn1ccnc1;O=[S](=O)(Nc1[nH]nc(CC2CCCCC2)c1)c3ccccc3Cn4ccnc4;c1ccc(c(c1)Cn2ccnc2)S(=O)(=O)Nc3cc(n[nH]3)CC4CCCCC4","InChI=1S/C20H25N5O2S/c26-28(27,19-9-5-4-8-17(19)14-25-11-10-21-15-25)24-20-13-18(22-23-20)12-16-6-2-1-3-7-16/h4-5,8-11,13,15-16H,1-3,6-7,12,14H2,(H2,22,23,24)","","2024-09-03","2025-02-07","N-[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]-2-[(1H-imidazol-1-yl)methyl]benzene-1-sulfonamide","2025-02-12"],["A1MAV","(S)-5-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}phenoxy]-4-hydroxypentanoic acid","C22 H28 B10 F6 O5","O[CH](CCC(O)=O)COc1ccc(cc1)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]58%12[BH]%13%14%19[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F;[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787C911([BH]232[BH]715C4%1062c1ccc(cc1)OCC(CCC(=O)O)O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H28B10F6O5/c33-19(34,35)18(42,20(36,37)38)12-1-3-13(4-2-12)21-23-22(14-5-8-16(9-6-14)43-11-15(39)7-10-17(40)41)24(21,23)26(21)28(22,24)30(22)27(22,23)25(21,23)29(21,26)31(25,27,30)32(26,28,29)30/h1-6,8-9,15,23-32,39,42H,7,10-11H2,(H,40,41)/t15-/m1/s1","","2025-07-07","2025-11-28","","2025-12-03"],["G1S","diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate","C26 H33 N6 O7 P","O=C(N1CCC1)c1ncc(nc1)Oc1cc(cc(OC(C)C)c1)C(=O)Nc1ccn(CP(=O)(OCC)OCC)n1;CCO[P](=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N4CCC4)c2)n1)OCC;CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC","InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)","","2021-12-15","2022-02-25","diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate","2022-03-02"],["A1JWN","3-[(1~{S})-1-azanylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]carbonylbenzenesulfonic acid","C20 H22 N2 O4 S","N[CH]1c2ccccc2CC13CCN(CC3)C(=O)c4cccc(c4)[S](O)(=O)=O;c1ccc2c(c1)CC3(C2N)CCN(CC3)C(=O)c4cccc(c4)S(=O)(=O)O","InChI=1S/C20H22N2O4S/c21-18-17-7-2-1-4-15(17)13-20(18)8-10-22(11-9-20)19(23)14-5-3-6-16(12-14)27(24,25)26/h1-7,12,18H,8-11,13,21H2,(H,24,25,26)/t18-/m1/s1","","2025-12-16","2026-05-01","3-[(1~{S})-1-azanylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]carbonylbenzenesulfonic acid","2026-05-06"],["A1A4Q","Cladoniamide A","C22 H16 Cl N3 O5","Clc1ccc2[NH]c3c4c(OC)c5ccccc5n4C4(O)C(=O)N(C)C(=O)C4(O)c3c2c1;COc1c2ccccc2n3c1c4[nH]c5ccc(Cl)cc5c4[C]6(O)C(=O)N(C)C(=O)[C]36O;CN1C(=O)C2(c3c4cc(ccc4[nH]c3-c5c(c6ccccc6n5C2(C1=O)O)OC)Cl)O","InChI=1S/C22H16ClN3O5/c1-25-19(27)21(29)15-12-9-10(23)7-8-13(12)24-16(15)17-18(31-2)11-5-3-4-6-14(11)26(17)22(21,30)20(25)28/h3-9,24,29-30H,1-2H3/t21-,22+/m1/s1","","2024-09-04","2025-09-05","(5R,5aR,8aS)-10-chloro-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione (non-preferred name)","2025-09-10"],["A1JXM","3-[2-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl-[2-oxidanylidene-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethyl]amino]ethanoylamino]benzoic acid","C35 H41 Cl N4 O6","OC(=O)c1cccc(NC(=O)CN(CCCCNCc2ccc(c(Cl)c2)c3ccccc3)CC(=O)NCCOCCOCC#C)c1;C#CCOCCOCCNC(=O)CN(CCCCNCc1ccc(c(c1)Cl)c2ccccc2)CC(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C35H41ClN4O6/c1-2-18-45-20-21-46-19-16-38-33(41)25-40(26-34(42)39-30-12-8-11-29(23-30)35(43)44)17-7-6-15-37-24-27-13-14-31(32(36)22-27)28-9-4-3-5-10-28/h1,3-5,8-14,22-23,37H,6-7,15-21,24-26H2,(H,38,41)(H,39,42)(H,43,44)","","2026-01-14","2026-05-01","3-[2-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl-[2-oxidanylidene-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethyl]amino]ethanoylamino]benzoic acid","2026-05-06"],["XIF","PIPERIDINE-3,4-DIOL","C5 H11 N O2","OC1CCNCC1O;O[CH]1CCNC[CH]1O;C1CNCC(C1O)O","InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1","XYLOSE-DERIVED ISOFAGOMINE","2000-08-17","2021-03-01","(3R,4R)-piperidine-3,4-diol",""],["A1BM8","(5E)-5-({(5P)-5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione","C21 H18 F N5 O5 S","O=C1NC(=O)SC1=Cc1cc(ccc1F)c1nc(ccc1[N+]([O-])=O)N1CCN(CC1)C(C)=O;CC(=O)N1CCN(CC1)c2ccc(c(n2)c3ccc(F)c(C=C4SC(=O)NC4=O)c3)[N+]([O-])=O;CC(=O)N1CCN(CC1)c2ccc(c(n2)c3ccc(c(c3)C=C4C(=O)NC(=O)S4)F)[N+](=O)[O-]","InChI=1S/C21H18FN5O5S/c1-12(28)25-6-8-26(9-7-25)18-5-4-16(27(31)32)19(23-18)13-2-3-15(22)14(10-13)11-17-20(29)24-21(30)33-17/h2-5,10-11H,6-9H2,1H3,(H,24,29,30)/b17-11+","","2025-01-02","2026-04-03","(5E)-5-({(5P)-5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione","2025-03-05"],["A1I49","(2~{S},3~{R})-2-azanyl-3-[(2~{S})-2-azanyl-4-methyl-1,1-bis(oxidanyl)pentoxy]butanal","C10 H22 N2 O4","CC(C)C[CH](N)C(O)(O)O[CH](C)[CH](N)C=O;CC(C)CC(C(O)(O)OC(C)C(C=O)N)N","InChI=1S/C10H22N2O4/c1-6(2)4-9(12)10(14,15)16-7(3)8(11)5-13/h5-9,14-15H,4,11-12H2,1-3H3/t7-,8-,9+/m1/s1","","2025-03-03","2025-10-03","(2~{S},3~{R})-2-azanyl-3-[(2~{S})-2-azanyl-4-methyl-1,1-bis(oxidanyl)pentoxy]butanal","2025-10-08"],["ZOV","3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine","C19 H15 N5 S2","Cc1cc(n(C)n1)c1cnc(N)c2c1scc2c1cc2ncsc2cc1;Cn1nc(C)cc1c2cnc(N)c3c2scc3c4ccc5scnc5c4;Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N","InChI=1S/C19H15N5S2/c1-10-5-15(24(2)23-10)12-7-21-19(20)17-13(8-25-18(12)17)11-3-4-16-14(6-11)22-9-26-16/h3-9H,1-2H3,(H2,20,21)","GSK'843","2021-05-18","2021-11-19","3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine","2021-11-24"],["G1T","8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one","C14 H14 F3 N3 O2 S","ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F;c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F","InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2","","2018-08-22","2024-09-27","8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one","2018-09-19"],["A1L9Y","5-[2-fluoranyl-3-[(2S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]-1H-1,2,3,4-tetrazole","C16 H10 F4 N4 O","Fc1c(cccc1c2[nH]nnn2)[CH]3Cc4cc(ccc4O3)C(F)(F)F;c1cc(c(c(c1)C2Cc3cc(ccc3O2)C(F)(F)F)F)c4[nH]nnn4","InChI=1S/C16H10F4N4O/c17-14-10(2-1-3-11(14)15-21-23-24-22-15)13-7-8-6-9(16(18,19)20)4-5-12(8)25-13/h1-6,13H,7H2,(H,21,22,23,24)","","2025-06-04","2026-05-01","5-[2-fluoranyl-3-[(2~{S})-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]-1~{H}-1,2,3,4-tetrazole","2026-05-06"],["G1U","1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone","C18 H26 N4 O S","CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCC(N)CC3)n2;CCc1c(c([nH]c1c2csc(n2)CN3CCC(CC3)N)C)C(=O)C","InChI=1S/C18H26N4OS/c1-4-14-17(12(3)23)11(2)20-18(14)15-10-24-16(21-15)9-22-7-5-13(19)6-8-22/h10,13,20H,4-9,19H2,1-3H3","","2022-01-26","2022-09-23","1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["A1A5A","(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C15 H16 N4 O","OCC(Cc1ccccc1)Nc1ncnc2[NH]ccc21;OC[CH](Cc1ccccc1)Nc2ncnc3[nH]ccc23;c1ccc(cc1)CC(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m1/s1","","2024-09-09","2025-06-06","(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["A1BMB","1-[(4S)-1-(furan-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-4-yl]cyclopropane-1-carboxylic acid","C17 H17 N O5 S","O=S(=O)(N1CCC(c2ccccc12)C1(CC1)C(=O)O)c1ccco1;OC(=O)C1(CC1)[CH]2CCN(c3ccccc23)[S](=O)(=O)c4occc4;c1ccc2c(c1)C(CCN2S(=O)(=O)c3ccco3)C4(CC4)C(=O)O","InChI=1S/C17H17NO5S/c19-16(20)17(8-9-17)13-7-10-18(14-5-2-1-4-12(13)14)24(21,22)15-6-3-11-23-15/h1-6,11,13H,7-10H2,(H,19,20)/t13-/m0/s1","","2024-12-18","2026-04-10","1-[(4S)-1-(furan-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-4-yl]cyclopropane-1-carboxylic acid","2026-04-15"],["A1I4F","(2S)-4-(3-chlorophenyl)carbonylpiperazine-2-carboxylic acid","C12 H13 Cl N2 O3","OC(=O)[CH]1CN(CCN1)C(=O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)C(=O)N2CCNC(C2)C(=O)O","InChI=1S/C12H13ClN2O3/c13-9-3-1-2-8(6-9)11(16)15-5-4-14-10(7-15)12(17)18/h1-3,6,10,14H,4-5,7H2,(H,17,18)/t10-/m0/s1","","2025-02-21","2026-03-13","(2~{S})-4-(3-chlorophenyl)carbonylpiperazine-2-carboxylic acid","2026-03-18"],["ZOW","(1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)]","C6 H18 O24 P6","OP(=O)(O)OC1C(OP(=O)(O)OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)OP(=O)(O)O)C1OP(=O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(=O)O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C6H18O24P6/c7-1-2(8)4(28-36(23,24)30-34(18,19)20)6(26-32(12,13)14)5(25-31(9,10)11)3(1)27-35(21,22)29-33(15,16)17/h1-8H,(H,21,22)(H,23,24)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1","","2023-06-29","2023-11-10","(1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)]","2023-11-15"],["XIG","5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid","C34 H29 N O8","COc1ccc(cc1)c2ccc(CN([CH]3CCCc4ccccc34)C(=O)c5cc(C(O)=O)c(cc5C(O)=O)C(O)=O)cc2;COc1ccc(cc1)c2ccc(cc2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O","InChI=1S/C34H29NO8/c1-43-24-15-13-22(14-16-24)21-11-9-20(10-12-21)19-35(30-8-4-6-23-5-2-3-7-25(23)30)31(36)26-17-28(33(39)40)29(34(41)42)18-27(26)32(37)38/h2-3,5,7,9-18,30H,4,6,8,19H2,1H3,(H,37,38)(H,39,40)(H,41,42)/t30-/m0/s1","","2009-12-01","2011-06-04","5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid",""],["XIH","2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE","C20 H23 N7 O2","N#Cc1ccccc1Cn2c4c(nc2N3CCCC(N)C3)N(C(=O)N(C4=O)C)C;CN1C(=O)N(C)c2nc(N3CCC[CH](N)C3)n(Cc4ccccc4C#N)c2C1=O;CN1c2c(n(c(n2)N3CCCC(C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C","InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3/t15-/m1/s1","","2006-03-29","2011-06-04","2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile",""],["G1V","N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]pyrazole-3-carboxamide","C23 H17 Cl4 N5 O3","Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3[CH]4CNC[CH]34)C(=O)c5c(Cl)cccc5Cl;c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3C4C3CNC4)C(=O)c5c(cccc5Cl)Cl)Cl","InChI=1S/C23H17Cl4N5O3/c24-12-3-1-4-13(25)17(12)21(33)29-16-9-32(23(35)18-14(26)5-2-6-15(18)27)31-20(16)22(34)30-19-10-7-28-8-11(10)19/h1-6,9-11,19,28H,7-8H2,(H,29,33)(H,30,34)/t10-,11+,19+","N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(2,6-dichlorobenzamido)-1-(2,6-dichlorobenzoyl)-1H-pyrazole-3-carboxamide","2023-07-20","2025-02-07","~{N}-[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-6-yl]-1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]pyrazole-3-carboxamide","2025-02-12"],["A1BMR","(2S,3R)-1-benzyl-2-methylpiperidin-3-ol","C13 H19 N O","CC1C(O)CCCN1Cc1ccccc1;C[CH]1[CH](O)CCCN1Cc2ccccc2;CC1C(CCCN1Cc2ccccc2)O","InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3","","2024-12-23","2025-08-08","(2S,3R)-1-benzyl-2-methylpiperidin-3-ol","2025-08-13"],["A1A5Z","N-ethyl-N'-{4-[(2-oxopyrrolidin-1-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl}urea","C17 H19 N7 O2","CCNC(=O)Nc1cccc2c3c(ncnc3[NH]c21)NN1CCCC1=O;CCNC(=O)Nc1cccc2c1[nH]c3ncnc(NN4CCCC4=O)c23;CCNC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=O","InChI=1S/C17H19N7O2/c1-2-18-17(26)21-11-6-3-5-10-13-15(22-14(10)11)19-9-20-16(13)23-24-8-4-7-12(24)25/h3,5-6,9H,2,4,7-8H2,1H3,(H2,18,21,26)(H2,19,20,22,23)","AVI-1500","2024-09-10","2026-04-03","N-ethyl-N'-{4-[(2-oxopyrrolidin-1-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl}urea","2026-04-08"],["ZOY","N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide","C21 H35 N3 O2","NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1;N[CH](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O;c1ccc(cc1)CCCCCCCCCC(=O)NCCCC(C(=O)N)N","InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1","","2021-05-18","2024-09-27","N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide","2022-03-30"],["A1I4R","(3R)-3-phenylsulfanylpiperidine-2,6-dione","C11 H11 N O2 S","O=C1CC[CH](Sc2ccccc2)C(=O)N1;c1ccc(cc1)SC2CCC(=O)NC2=O","InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m1/s1","","2025-02-26","2025-10-24","(3~{R})-3-phenylsulfanylpiperidine-2,6-dione","2025-10-29"],["A1MGC","2,6-dimethoxy-~{N}-(5-phenyl-3,4-dihydro-2~{H}-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide","C24 H22 N2 O6 S","COc1cccc(OC)c1[S](=O)(=O)Nc2noc3cc(c4CCCOc4c23)c5ccccc5;COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCCC4)c5ccccc5)on2)OC","InChI=1S/C24H22N2O6S/c1-29-18-11-6-12-19(30-2)23(18)33(27,28)26-24-21-20(32-25-24)14-17(15-8-4-3-5-9-15)16-10-7-13-31-22(16)21/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,25,26)","","2026-04-22","2026-05-01","2,6-dimethoxy-~{N}-(5-phenyl-3,4-dihydro-2~{H}-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide","2026-05-06"],["G1W","methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate","C26 H22 F N O6 S","O=S(=O)(c1ccc(cc1)CC=3C(=O)c2c(cc(F)cc2)N(C=3C(=O)OC)c4ccccc4)CCO;COC(=O)C1=C(Cc2ccc(cc2)[S](=O)(=O)CCO)C(=O)c3ccc(F)cc3N1c4ccccc4;COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO","InChI=1S/C26H22FNO6S/c1-34-26(31)24-22(15-17-7-10-20(11-8-17)35(32,33)14-13-29)25(30)21-12-9-18(27)16-23(21)28(24)19-5-3-2-4-6-19/h2-12,16,29H,13-15H2,1H3","","2012-07-26","2013-07-12","methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate","2013-07-17"],["A1I5F","1-[(2~{R})-2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one","C17 H21 F3 N2 O2","CCC(=O)N1CCN(C[CH]1C)C(=O)Cc2ccc(cc2)C(F)(F)F;CCC(=O)N1CCN(CC1C)C(=O)Cc2ccc(cc2)C(F)(F)F","InChI=1S/C17H21F3N2O2/c1-3-15(23)22-9-8-21(11-12(22)2)16(24)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12H,3,8-11H2,1-2H3/t12-/m1/s1","","2025-03-04","2026-03-06","1-[(2~{R})-2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one","2026-03-11"],["ZOZ","3-KETO-DECANOYL-COA","C31 H52 N7 O18 P3 S","CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1","","2015-07-26","2016-06-03","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenedecanethioate","2016-06-08"],["A1ACA","5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one","C12 H8 Br Cl N4 O","Brc1cnc(Cl)nc1Nc1cc2CC(=O)Nc2cc1;Clc1ncc(Br)c(Nc2ccc3NC(=O)Cc3c2)n1;c1cc2c(cc1Nc3c(cnc(n3)Cl)Br)CC(=O)N2","InChI=1S/C12H8BrClN4O/c13-8-5-15-12(14)18-11(8)16-7-1-2-9-6(3-7)4-10(19)17-9/h1-3,5H,4H2,(H,17,19)(H,15,16,18)","","2024-01-09","2024-11-29","5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one","2024-12-04"],["A1BMU","(3S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-7-fluoro-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","C33 H37 F4 N5 O5 S","FC(F)(F)C(=O)NC(C(=O)N1Cc2cc(F)ccc2CC1C(=O)NC(CC1CCCNC1=O)C(O)c1nc2ccccc2s1)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1Cc2cc(F)ccc2C[CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)c4sc5ccccc5n4;CC(C)(C)C(C(=O)N1Cc2cc(ccc2CC1C(=O)NC(CC3CCCNC3=O)C(c4nc5ccccc5s4)O)F)NC(=O)C(F)(F)F","InChI=1S/C33H37F4N5O5S/c1-32(2,3)26(41-31(47)33(35,36)37)30(46)42-16-19-13-20(34)11-10-17(19)15-23(42)28(45)39-22(14-18-7-6-12-38-27(18)44)25(43)29-40-21-8-4-5-9-24(21)48-29/h4-5,8-11,13,18,22-23,25-26,43H,6-7,12,14-16H2,1-3H3,(H,38,44)(H,39,45)(H,41,47)/t18-,22-,23-,25-,26+/m0/s1","","2024-12-23","2025-11-21","(3S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-7-fluoro-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","2025-11-26"],["XII","(3R)-3,5,5-trihydroxy-3-methylpentanoic acid","C6 H12 O5","OC(=O)CC(O)(C)CC(O)O;C[C](O)(CC(O)O)CC(O)=O;CC(CC(O)O)(CC(=O)O)O","InChI=1S/C6H12O5/c1-6(11,2-4(7)8)3-5(9)10/h4,7-8,11H,2-3H2,1H3,(H,9,10)/t6-/m1/s1","","2023-06-06","2024-03-15","(3R)-3,5,5-trihydroxy-3-methylpentanoic acid","2024-03-20"],["A1A6Q","(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol","C10 H12 N4 O2","OC1COCC1Nc1ncnc2[NH]ccc12;O[CH]1COC[CH]1Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC3COCC3O","InChI=1S/C10H12N4O2/c15-8-4-16-3-7(8)14-10-6-1-2-11-9(6)12-5-13-10/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13,14)/t7-,8-/m0/s1","","2024-09-13","2025-06-06","(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol","2025-06-11"],["ZP0","N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide","C19 H27 N3 O5","Oc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NCC1OCC(C)(C)OC1;CC1(C)CO[CH](CNC(=O)N2CCN(CC2)C(=O)c3cccc(O)c3)CO1;CC1(COC(CO1)CNC(=O)N2CCN(CC2)C(=O)c3cccc(c3)O)C","InChI=1S/C19H27N3O5/c1-19(2)13-26-16(12-27-19)11-20-18(25)22-8-6-21(7-9-22)17(24)14-4-3-5-15(23)10-14/h3-5,10,16,23H,6-9,11-13H2,1-2H3,(H,20,25)/t16-/m0/s1","","2023-03-17","2023-03-24","N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide","2023-03-29"],["A1I5P","methyl 2-azanyl-1~{H}-indole-3-carboxylate","C10 H10 N2 O2","COC(=O)c1c(N)[nH]c2ccccc12;COC(=O)c1c2ccccc2[nH]c1N","InChI=1S/C10H10N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h2-5,12H,11H2,1H3","","2025-03-10","2025-06-13","methyl 2-azanyl-1~{H}-indole-3-carboxylate","2025-06-18"],["A1BMZ","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-octanamidoethyl)-beta-alaninamide","C19 H38 N3 O8 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC;CCCCCCCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H38N3O8P/c1-4-5-6-7-8-9-15(23)20-12-13-21-16(24)10-11-22-18(26)17(25)19(2,3)14-30-31(27,28)29/h17,25H,4-14H2,1-3H3,(H,20,23)(H,21,24)(H,22,26)(H2,27,28,29)/t17-/m0/s1","","2024-12-24","2025-09-19","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-octanamidoethyl)-beta-alaninamide","2025-09-24"],["A1A6R","2-chloro-7-{(4xi)-2-deoxy-4-ethynyl-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C13 H16 Cl N4 O12 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1(C#C)OC(CC1O)n1ccc2c(N)nc(Cl)nc21;Nc1nc(Cl)nc2n(ccc12)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)(O3)C#C;C#CC1(C(CC(O1)n2ccc3c2nc(nc3N)Cl)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C13H16ClN4O12P3/c1-2-13(6-27-32(23,24)30-33(25,26)29-31(20,21)22)8(19)5-9(28-13)18-4-3-7-10(15)16-12(14)17-11(7)18/h1,3-4,8-9,19H,5-6H2,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/t8-,9+,13+/m0/s1","","2024-09-16","2025-09-12","2-chloro-7-{(4xi)-2-deoxy-4-ethynyl-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2025-09-17"],["G1X","(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid","C9 H9 N O4","N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O;C1=CC(=O)C(=O)C=C1CC(C(=O)O)N","InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1","L-dopaquinone","2020-07-15","2024-09-27","(2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid","2021-06-16"],["XIJ","4-(4-aminophenethyl)benzoic acid","C15 H15 N O2","Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1;c1cc(ccc1CCc2ccc(cc2)N)C(=O)O","InChI=1S/C15H15NO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10H,1-2,16H2,(H,17,18)","4-[2-(4-aminophenyl)ethyl]benzoic acid","2023-11-02","2024-03-15","4-[2-(4-aminophenyl)ethyl]benzoic acid","2024-03-20"],["A1BNA","(2S)-methoxy[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]acetic acid","C18 H18 O8","O=C(O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O;CO[CH]([CH]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[CH]1O)C(O)=O;Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)O)OC)O)O","InChI=1S/C18H18O8/c1-6-10(19)5-8-3-7-4-9(17(26-2)18(24)25)14(21)16(23)12(7)15(22)11(8)13(6)20/h3,5,9,14,17,19-22H,4H2,1-2H3,(H,24,25)/t9-,14+,17+/m1/s1","","2025-01-02","2025-04-25","(2S)-methoxy[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]acetic acid","2025-04-30"],["A1I6A","2-chloranyl-~{N}-[(~{R})-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-pyridin-3-yl-methyl]-~{N}-(4-phenylphenyl)ethanamide","C28 H23 Cl N6 O","ClCC(=O)N([CH](c1cccnc1)c2nnnn2Cc3ccccc3)c4ccc(cc4)c5ccccc5;c1ccc(cc1)Cn2c(nnn2)C(c3cccnc3)N(c4ccc(cc4)c5ccccc5)C(=O)CCl","InChI=1S/C28H23ClN6O/c29-18-26(36)35(25-15-13-23(14-16-25)22-10-5-2-6-11-22)27(24-12-7-17-30-19-24)28-31-32-33-34(28)20-21-8-3-1-4-9-21/h1-17,19,27H,18,20H2/t27-/m1/s1","","2025-03-18","2026-03-13","2-chloranyl-~{N}-[(~{R})-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-pyridin-3-yl-methyl]-~{N}-(4-phenylphenyl)ethanamide","2026-03-18"],["A1A6V","1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol","C12 H16 N4 O","OC1(CCC1)CNc1ncnc2[NH]cc(C)c21;Cc1c[nH]c2ncnc(NCC3(O)CCC3)c12;Cc1c[nH]c2c1c(ncn2)NCC3(CCC3)O","InChI=1S/C12H16N4O/c1-8-5-13-10-9(8)11(16-7-15-10)14-6-12(17)3-2-4-12/h5,7,17H,2-4,6H2,1H3,(H2,13,14,15,16)","","2024-09-16","2025-06-06","1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol","2025-06-11"],["XIK","3,4-dimethoxybenzaldehyde","C9 H10 O3","COc1cc(ccc1OC)C=O;COc1ccc(C=O)cc1OC;COc1ccc(cc1OC)C=O","InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3","","2022-11-22","2024-12-20","3,4-dimethoxybenzaldehyde","2024-12-25"],["ZP1","(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid","C18 H31 N4 O13 P3 S","CCO[P](O)(=O)[C](O)(CCC(O)=O)[CH]1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O;CCOP(=O)(C(CCC(=O)O)(C1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O","InChI=1S/C18H31N4O13P3S/c1-4-33-36(26,27)18(25,7-5-15(23)24)17-22(10-13-9-20-12(3)21-16(13)19)11(2)14(39-17)6-8-34-38(31,32)35-37(28,29)30/h9,17,25H,4-8,10H2,1-3H3,(H,23,24)(H,26,27)(H,31,32)(H2,19,20,21)(H2,28,29,30)/t17-,18+/m1/s1","","2019-03-16","2019-09-06","(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid","2019-09-11"],["G1Y","N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide","C20 H19 N3 O","O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4;O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4;c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4","InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24)","","2018-05-02","2018-08-31","N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide","2018-09-05"],["A1ACD","1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","C11 H19 N2 O13 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/t7-,8-,9-/m1/s1","","2024-01-10","2024-05-03","1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","2024-05-08"],["XIL","(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside","C10 H17 N O7","O=C2NCCC(OC1OCC(O)C(O)C1O)C2O;O[CH]1CO[CH](O[CH]2CCNC(=O)[CH]2O)[CH](O)[CH]1O;C1CNC(=O)C(C1OC2C(C(C(CO2)O)O)O)O","InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1","3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDIN-2-ONE; (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl\nbeta-D-xyloside; (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl D-xyloside; (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl xyloside","2002-10-28","2020-07-17","(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside",""],["A1I6B","~{N}-[3-fluoranyl-5-(5-methylfuran-2-yl)phenyl]-4-methyl-piperidine-1-carboximidamide","C18 H22 F N3 O","CC1CCN(CC1)C(=N)Nc2cc(F)cc(c2)c3oc(C)cc3;Cc1ccc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3)C","InChI=1S/C18H22FN3O/c1-12-5-7-22(8-6-12)18(20)21-16-10-14(9-15(19)11-16)17-4-3-13(2)23-17/h3-4,9-12H,5-8H2,1-2H3,(H2,20,21)","","2025-03-18","2026-03-13","~{N}-[3-fluoranyl-5-(5-methylfuran-2-yl)phenyl]-4-methyl-piperidine-1-carboximidamide","2026-03-18"],["G1Z","8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one","C14 H14 F3 N3 O2 S","ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F;c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F","InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2","","2018-08-22","2019-08-13","8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one","2018-09-19"],["ZP2","(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone","C14 H10 F N O6","COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2;COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O","InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3","Pharmacokinetically Improved TTR Binder (PITB)","2023-06-29","2024-05-03","(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone","2024-05-08"],["A1ACE","(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one","C35 H39 N O6","Nc1cccc(c1)Cc1ccc(cc1)C1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO;C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1C[CH]5O[CH](O[C]25C(=O)CO)c6ccc(Cc7cccc(N)c7)cc6;CC12CC(C3C(C1CC4C2(OC(O4)c5ccc(cc5)Cc6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C=CC37C)O","InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28+,30+,31+,32+,33-,34-,35+/m0/s1","","2024-01-11","2024-01-19","(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one","2024-01-24"],["A1A7R","3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine","C34 H43 N5 O5","O=C(O)C(N)CC=1NC(NC=1)ON1C(c2ccccc2)C2(C)CC34CCC2(OC)C1C14CCN(C)C3Cc2ccc(O)cc21;CO[C]12CC[C]34C[C]1(C)[CH](N(O[CH]5NC=C(C[CH](N)C(O)=O)N5)[CH]2[C]36CCN(C)[CH]4Cc7ccc(O)cc67)c8ccccc8;CC12CC34CCC1(C(C35CCN(C4Cc6c5cc(cc6)O)C)N(C2c7ccccc7)OC8NC=C(N8)CC(C(=O)O)N)OC","InChI=1S/C34H43N5O5/c1-31-19-32-11-12-34(31,43-3)29(33(32)13-14-38(2)26(32)15-21-9-10-23(40)17-24(21)33)39(27(31)20-7-5-4-6-8-20)44-30-36-18-22(37-30)16-25(35)28(41)42/h4-10,17-18,25-27,29-30,36-37,40H,11-16,19,35H2,1-3H3,(H,41,42)/t25-,26+,27+,29-,30-,31-,32+,33-,34-/m0/s1","","2024-09-17","2024-10-23","3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine","2024-09-25"],["A1BNB","methyl 5-methyl-L-tryptophanate","C13 H16 N2 O2","O=C(OC)C(N)Cc1c[NH]c2ccc(C)cc21;COC(=O)[CH](N)Cc1c[nH]c2ccc(C)cc12;Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)OC)N","InChI=1S/C13H16N2O2/c1-8-3-4-12-10(5-8)9(7-15-12)6-11(14)13(16)17-2/h3-5,7,11,15H,6,14H2,1-2H3/t11-/m0/s1","","2025-01-02","2025-04-25","methyl 5-methyl-L-tryptophanate","2025-04-30"],["A1A7V","S-lactoyl-L-cysteine","C6 H11 N O4 S","OC(=O)C(N)CSC(=O)C(C)O;C[CH](O)C(=O)SC[CH](N)C(O)=O;CC(C(=O)SCC(C(=O)O)N)O","InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4-/m0/s1","S-[(2S)-2-hydroxypropanoyl]-L-cysteine","2024-09-17","2025-03-07","S-[(2S)-2-hydroxypropanoyl]-L-cysteine","2025-03-12"],["A1I78","5-chloranyl-~{N}-(2-phenylethyl)pyridin-2-amine","C13 H13 Cl N2","Clc1ccc(NCCc2ccccc2)nc1;c1ccc(cc1)CCNc2ccc(cn2)Cl","InChI=1S/C13H13ClN2/c14-12-6-7-13(16-10-12)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,16)","","2025-03-26","2026-02-06","5-chloranyl-~{N}-(2-phenylethyl)pyridin-2-amine","2026-02-11"],["XIM","5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL","C7 H10 N2 O3","n1ccn2c1C(O)C(O)C(O)C2;O[CH]1Cn2ccnc2[CH](O)[CH]1O;c1cn2c(n1)C(C(C(C2)O)O)O","InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1","XYLOSE-DERIVED IMIDAZOLE","2000-08-17","2020-06-17","(6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol",""],["A1ACI","N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide","C27 H33 N5 O4","CC(C)(C)C(NC(C)=O)C(=O)N1CC(O)CC1C(=O)NCc1ccc(c2cc[NH]n2)c2ccccc12;CC(=O)N[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(c3cc[nH]n3)c4ccccc24)C(C)(C)C;CC(=O)NC(C(=O)N1CC(CC1C(=O)NCc2ccc(c3c2cccc3)c4cc[nH]n4)O)C(C)(C)C","InChI=1S/C27H33N5O4/c1-16(33)30-24(27(2,3)4)26(36)32-15-18(34)13-23(32)25(35)28-14-17-9-10-21(22-11-12-29-31-22)20-8-6-5-7-19(17)20/h5-12,18,23-24,34H,13-15H2,1-4H3,(H,28,35)(H,29,31)(H,30,33)/t18-,23+,24-/m1/s1","","2024-01-12","2024-03-08","N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide","2024-03-13"],["A1BNE","1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine","C10 H13 N O2","CNCC1COc2ccccc2O1;CNC[CH]1COc2ccccc2O1;CNCC1COc2ccccc2O1","InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1","","2025-01-02","2025-08-08","1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine","2025-08-13"],["ZP4","[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate","C20 H28 N10 O19 P4","CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]","InChI=1S/C20H28N10O19P4/c1-8-3-29(20(34)26-18(8)33)12-2-9(27-28-22)10(45-12)4-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-5-11-14(31)15(32)19(46-11)30-7-25-13-16(21)23-6-24-17(13)30/h3,6-7,9-12,14-15,19,31-32H,2,4-5H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,24)(H,26,33,34)/t9-,10+,11+,12+,14+,15+,19+/m0/s1","","2008-10-15","2011-06-04","[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",""],["G20","5-N-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid","C14 H23 N5 O5","O=C(O)C=1OC(C(=O)N(CCC)C)C(NC(=O)C)C(NC(=[N@H])N)C=1;CCCN(C)C(=O)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;[H]N=C(N)NC1C=C(OC(C1NC(=O)C)C(=O)N(C)CCC)C(=O)O","InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1","4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID","1999-07-08","2020-07-17","(2R,3R,4S)-3-(acetylamino)-4-carbamimidamido-2-[methyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid\n(non-preferred name)",""],["A1I7E","6-[2-oxidanylidene-2-(11-oxidanylidene-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl)ethyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-one","C24 H22 N2 O3","O=C1CCc2cc(CC(=O)c3cc4CCN5C(=O)CCc(c3)c45)cc6CCN1c26;c1c(cc2c3c1CCC(=O)N3CC2)CC(=O)c4cc5c6c(c4)CCN6C(=O)CC5","InChI=1S/C24H22N2O3/c27-20(19-12-16-2-4-22(29)26-8-6-18(13-19)24(16)26)11-14-9-15-1-3-21(28)25-7-5-17(10-14)23(15)25/h9-10,12-13H,1-8,11H2","","2025-03-24","2026-01-16","6-[2-oxidanylidene-2-(11-oxidanylidene-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl)ethyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-one","2026-01-21"],["A1A7Z","(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol","C14 H14 N4 O","OCC(Nc1ncnc2[NH]ccc21)c1ccccc1;OC[CH](Nc1ncnc2[nH]ccc12)c3ccccc3;c1ccc(cc1)C(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C14H14N4O/c19-8-12(10-4-2-1-3-5-10)18-14-11-6-7-15-13(11)16-9-17-14/h1-7,9,12,19H,8H2,(H2,15,16,17,18)/t12-/m1/s1","","2024-09-18","2025-06-06","(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol","2025-06-11"],["A1BOY","(3S)-1-[(2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide","C14 H19 N3 O3","O=C(Cc1cccnc1OC)N1CCCC(C1)C(N)=O;COc1ncccc1CC(=O)N2CCC[CH](C2)C(N)=O;COc1c(cccn1)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H19N3O3/c1-20-14-10(4-2-6-16-14)8-12(18)17-7-3-5-11(9-17)13(15)19/h2,4,6,11H,3,5,7-9H2,1H3,(H2,15,19)/t11-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["G21","5-ACETYLAMINO-4-AMINO-6-(PHENETHYLPROPYLCARBAMOYL)5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID","C20 H29 N3 O5","O=C(O)C2OC(C(=O)N(CCc1ccccc1)CCC)C(NC(=O)C)C(N)C2;CCCN(CCc1ccccc1)C(=O)[CH]2O[CH](C[CH](N)[CH]2NC(C)=O)C(O)=O;CCCN(CCc1ccccc1)C(=O)C2C(C(CC(O2)C(=O)O)N)NC(=O)C","InChI=1S/C20H29N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,15-18H,3,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16+,17+,18+/m0/s1","","1999-07-08","2011-06-04","(2R,4S,5R,6R)-5-(acetylamino)-4-amino-6-[(2-phenylethyl)(propyl)carbamoyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["XIN","methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate","C31 H33 N5 O4","O=C(OC)c1cc2c(cc1)/C(C(=O)N2)=C(c3ccccc3)Nc4ccc(cc4)N(C(=O)CN5CCN(C)CC5)C;COC(=O)c1ccc2c(NC(=O)C2=C(Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)c5ccccc5)c1;CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5","InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-","","2008-02-20","2011-06-04","methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",""],["ZP5","4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide","C13 H14 N4 O4","O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1;O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3","InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)","","2023-03-17","2023-03-24","4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide","2023-03-29"],["ZP6","(2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid","C22 H24 N2 O5","OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3;c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCN2C(=O)OCc3ccccc3","InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1","","2020-08-07","2021-08-27","(2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid","2021-09-01"],["G23","(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","C23 H27 N3 O4 S","O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)O)(C)C)Cc3ccccc3;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2ccccc2)C(=O)NCc3ccccc3;CC1(C(NC(S1)C(C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C","InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19+,21-/m1/s1","GR123976","1999-07-08","2021-03-01","(2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["A1I8A","5-chloranyl-4-(1~{H}-pyrrol-2-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C11 H8 Cl N3","Clc1cnc2[nH]ccc2c1c3[nH]ccc3;c1cc([nH]c1)c2c3cc[nH]c3ncc2Cl","InChI=1S/C11H8ClN3/c12-8-6-15-11-7(3-5-14-11)10(8)9-2-1-4-13-9/h1-6,13H,(H,14,15)","","2025-03-26","2026-02-27","5-chloranyl-4-(1~{H}-pyrrol-2-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2026-03-04"],["A1A8V","(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]butanoic acid","C12 H17 N2 O7 P","Oc1c(CN=C(CC)C(=O)O)c(cnc1C)COP(=O)(O)O;CCC(=NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCC(=NCc1c(cnc(c1O)C)COP(=O)(O)O)C(=O)O","InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h4,15H,3,5-6H2,1-2H3,(H,16,17)(H2,18,19,20)/b14-10-","","2024-09-21","2025-10-17","(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]butanoic acid","2025-10-22"],["A1BQV","(3S)-1-[(1H-indol-7-yl)methyl]-6-oxopiperidine-3-carboxamide","C15 H17 N3 O2","NC(=O)C1CCC(=O)N(Cc2cccc3cc[NH]c23)C1;NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3cc[nH]c23;c1cc2cc[nH]c2c(c1)CN3CC(CCC3=O)C(=O)N","InChI=1S/C15H17N3O2/c16-15(20)12-4-5-13(19)18(9-12)8-11-3-1-2-10-6-7-17-14(10)11/h1-3,6-7,12,17H,4-5,8-9H2,(H2,16,20)/t12-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(1H-indol-7-yl)methyl]-6-oxopiperidine-3-carboxamide","2025-02-26"],["A1ACS","N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea","C25 H34 N4 O","CC(c1ccncc1)N1CCC(NC(=O)NC2CCCC2Cc2ccccc2)CC1;C[CH](N1CCC(CC1)NC(=O)N[CH]2CCC[CH]2Cc3ccccc3)c4ccncc4;CC(c1ccncc1)N2CCC(CC2)NC(=O)NC3CCCC3Cc4ccccc4","InChI=1S/C25H34N4O/c1-19(21-10-14-26-15-11-21)29-16-12-23(13-17-29)27-25(30)28-24-9-5-8-22(24)18-20-6-3-2-4-7-20/h2-4,6-7,10-11,14-15,19,22-24H,5,8-9,12-13,16-18H2,1H3,(H2,27,28,30)/t19-,22+,24-/m0/s1","","2024-01-16","2024-03-01","N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea","2024-03-06"],["XIO","[(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium","C63 H59 N11 O16 S3","NCC(=O)N[C](CCC(=O)N[CH](Cc1c([nH]c2ccccc12)Sc3ccc(cc3)[N+]([O-])=O)C(O)=O)(CCC(=O)N[CH](Cc4c([nH]c5ccccc45)Sc6ccc(cc6)[N+]([O-])=O)C(O)=O)CCC(=O)N[CH](Cc7c([nH]c8ccccc78)Sc9ccc(cc9)[N+]([O-])=O)C(O)=O;c1ccc2c(c1)c(c([nH]2)Sc3ccc(cc3)[N+](=O)[O-])CC(C(=O)O)NC(=O)CCC(CCC(=O)NC(Cc4c5ccccc5[nH]c4Sc6ccc(cc6)[N+](=O)[O-])C(=O)O)(CCC(=O)NC(Cc7c8ccccc8[nH]c7Sc9ccc(cc9)[N+](=O)[O-])C(=O)O)NC(=O)CN","InChI=1S/C63H59N11O16S3/c64-34-56(78)71-63(28-25-53(75)65-50(60(79)80)31-44-41-7-1-4-10-47(41)68-57(44)91-38-19-13-35(14-20-38)72(85)86,29-26-54(76)66-51(61(81)82)32-45-42-8-2-5-11-48(42)69-58(45)92-39-21-15-36(16-22-39)73(87)88)30-27-55(77)67-52(62(83)84)33-46-43-9-3-6-12-49(43)70-59(46)93-40-23-17-37(18-24-40)74(89)90/h1-24,50-52,68-70H,25-34,64H2,(H,65,75)(H,66,76)(H,67,77)(H,71,78)(H,79,80)(H,81,82)(H,83,84)/t50-,51-,52-/m0/s1","","2023-06-07","2023-09-22","(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoic acid","2023-09-27"],["A1I8B","5-chloranyl-4-(1~{H}-pyrazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C10 H7 Cl N4","Clc1cnc2[nH]ccc2c1c3[nH]ncc3;c1c[nH]c2c1c(c(cn2)Cl)c3ccn[nH]3","InChI=1S/C10H7ClN4/c11-7-5-13-10-6(1-3-12-10)9(7)8-2-4-14-15-8/h1-5H,(H,12,13)(H,14,15)","","2025-03-26","2026-02-06","5-chloranyl-4-(1~{H}-pyrazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2026-02-11"],["A1A9R","(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol","C12 H13 N5 O S","OCC(Nc1ncnc2[NH]ccc12)Cc1nccs1;OC[CH](Cc1sccn1)Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC(Cc3nccs3)CO","InChI=1S/C12H13N5OS/c18-6-8(5-10-13-3-4-19-10)17-12-9-1-2-14-11(9)15-7-16-12/h1-4,7-8,18H,5-6H2,(H2,14,15,16,17)/t8-/m0/s1","","2024-09-24","2025-06-06","(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol","2025-06-11"],["XIP","4-(4-aminostyryl)benzoic acid","C15 H13 N O2","Nc1ccc(cc1)C=Cc2ccc(cc2)C(O)=O;c1cc(ccc1C=Cc2ccc(cc2)N)C(=O)O","InChI=1S/C15H13NO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10H,16H2,(H,17,18)","4-[2-(4-aminophenyl)ethenyl]benzoic acid","2023-11-02","2024-03-15","4-[2-(4-aminophenyl)ethenyl]benzoic acid","2024-03-20"],["G24","[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID","C24 H24 O4","O=C(O)COc1cc(c(c(c1)C)Cc2ccc(O)c(c2)Cc3ccccc3)C;Cc1cc(OCC(O)=O)cc(C)c1Cc2ccc(O)c(Cc3ccccc3)c2;Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O","InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)","GC-24","2003-08-15","2020-06-17","[4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid",""],["A1BRV","(3S)-1-[(2,3-dihydro-1-benzofuran-7-yl)methyl]-5-oxopyrrolidine-3-carboxamide","C14 H16 N2 O3","NC(=O)C1CC(=O)N(C1)Cc1cccc2CCOc12;NC(=O)[CH]1CN(Cc2cccc3CCOc23)C(=O)C1;c1cc2c(c(c1)CN3CC(CC3=O)C(=O)N)OCC2","InChI=1S/C14H16N2O3/c15-14(18)11-6-12(17)16(8-11)7-10-3-1-2-9-4-5-19-13(9)10/h1-3,11H,4-8H2,(H2,15,18)/t11-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-[(2,3-dihydro-1-benzofuran-7-yl)methyl]-5-oxopyrrolidine-3-carboxamide","2025-02-26"],["ZP7","(2S)-2,3-dihydroxypropyl hexadecanoate","C19 H38 O4","OCC(O)COC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCCCCCCCCC(=O)OCC(CO)O","InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1","","2021-05-18","2021-11-12","(2S)-2,3-dihydroxypropyl hexadecanoate","2021-11-17"],["A1I9B","1-methyl-1-[(3~{S})-3-naphthalen-1-yloxy-3-thiophen-2-yl-propyl]-3-[(4-sulfamoylphenyl)methyl]thiourea","C26 H27 N3 O3 S3","CN(CC[CH](Oc1cccc2ccccc12)c3sccc3)C(=S)NCc4ccc(cc4)[S](N)(=O)=O;CN(CCC(c1cccs1)Oc2cccc3c2cccc3)C(=S)NCc4ccc(cc4)S(=O)(=O)N","InChI=1S/C26H27N3O3S3/c1-29(26(33)28-18-19-11-13-21(14-12-19)35(27,30)31)16-15-24(25-10-5-17-34-25)32-23-9-4-7-20-6-2-3-8-22(20)23/h2-14,17,24H,15-16,18H2,1H3,(H,28,33)(H2,27,30,31)/t24-/m0/s1","","2025-04-02","2026-04-10","1-methyl-1-[(3~{S})-3-naphthalen-1-yloxy-3-thiophen-2-yl-propyl]-3-[(4-sulfamoylphenyl)methyl]thiourea","2026-04-15"],["XIQ","2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one","C7 H8 O6","COC1=C(O)OC(=C(O)C1=O)CO;COC1=C(OC(=C(C1=O)O)CO)O","InChI=1S/C7H8O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h8-9,11H,2H2,1H3","","2023-11-06","2024-10-18","2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one","2024-10-23"],["A1ABQ","(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine","C10 H11 F N2 S","CC1CN=C(Nc2ccc(F)cc2)S1;C[CH]1CN=C(Nc2ccc(F)cc2)S1;CC1CN=C(S1)Nc2ccc(cc2)F","InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1","","2024-01-04","2024-01-19","(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine","2024-01-24"],["ZP8","1-(2-cyanoethanoyl)piperidine-4-carboxamide","C9 H13 N3 O2","NC(=O)C1CCN(CC1)C(=O)CC#N;C1CN(CCC1C(=O)N)C(=O)CC#N","InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)","","2023-06-29","2024-01-26","1-(2-cyanoethanoyl)piperidine-4-carboxamide","2024-01-31"],["A1ACY","4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside","C16 H19 N O7","CC1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc12;CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)N","InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1","","2024-01-17","2024-06-21","4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside","2024-06-26"],["A1BTB","(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide","C21 H30 N4 O3","O=C(N(CC(=O)N1CCCCC1)c1cc(C)ccc1)N1CCCC(C1)C(N)=O;Cc1cccc(c1)N(CC(=O)N2CCCCC2)C(=O)N3CCC[CH](C3)C(N)=O;Cc1cccc(c1)N(CC(=O)N2CCCCC2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C21H30N4O3/c1-16-7-5-9-18(13-16)25(15-19(26)23-10-3-2-4-11-23)21(28)24-12-6-8-17(14-24)20(22)27/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3,(H2,22,27)/t17-/m0/s1","","2025-01-15","2025-02-21","(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide","2025-02-26"],["G25","GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","2002-08-23","2011-12-12","5'-guanylic acid",""],["A1BTR","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(4~{S})-4-(4-fluorophenyl)-2-oxidanylidene-piperidin-1-yl]pyridin-2-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C36 H40 F N8 O14 P2","Fc1ccc(cc1)C1CC(=O)N(CC1)c1ccc(nc1)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5ccc(cc5)c6ccc(cn6)N7CC[CH](CC7=O)c8ccc(F)cc8)[CH](O)[CH]3O;c1cc(ccc1C2CCN(C(=O)C2)c3ccc(nc3)c4cc[n+](cc4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O)F","InChI=1S/C36H39FN8O14P2/c37-22-3-1-19(2-4-22)21-9-12-44(27(46)13-21)23-5-6-24(39-14-23)20-7-10-43(11-8-20)35-31(49)29(47)25(57-35)15-55-60(51,52)59-61(53,54)56-16-26-30(48)32(50)36(58-26)45-18-42-28-33(38)40-17-41-34(28)45/h1-8,10-11,14,17-18,21,25-26,29-32,35-36,47-50H,9,12-13,15-16H2,(H3-,38,40,41,51,52,53,54)/p+1/t21-,25+,26+,29+,30+,31+,32+,35+,36+/m0/s1","","2025-01-17","2026-01-30","1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{5-[(4S)-4-(4-fluorophenyl)-2-oxopiperidin-1-yl]pyridin-2-yl}pyridin-1-ium (non-preferred name)","2026-02-04"],["G26","2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID\n(HYDROXYMETHYL-2-PHENYLETHYL)AMIDE","C32 H38 N4 O4 S","O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)NC(Cc3ccccc3)CO)(C)C)Cc4ccccc4;CC1(C)S[CH](N[CH]1C(=O)N[CH](CO)Cc2ccccc2)[CH](NC(=O)Cc3ccccc3)C(=O)NCc4ccccc4;CC1(C(NC(S1)C(C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)NC(Cc4ccccc4)CO)C","InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)/t25-,27-,28+,31-/m1/s1","GR126045","1999-07-08","2020-06-17","(2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(1R)-1-benzyl-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["XIR","(4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine","C23 H24 F N7","CN1CCN(CC1)c1ccc(cc1F)n1c2nc(ccc2nc1C)c1ccnc(N)c1;CN1CCN(CC1)c2ccc(cc2F)n3c(C)nc4ccc(nc34)c5ccnc(N)c5;Cc1nc2ccc(nc2n1c3ccc(c(c3)F)N4CCN(CC4)C)c5ccnc(c5)N","InChI=1S/C23H24FN7/c1-15-27-20-5-4-19(16-7-8-26-22(25)13-16)28-23(20)31(15)17-3-6-21(18(24)14-17)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26)","","2023-06-07","2024-05-10","(4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine","2024-05-15"],["ZPA","4-(N-benzylsuccinimide-3-sulfanyl)-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)butylamidine","C26 H37 N3 O11 S","O=C3N(C(=O)CC3SCCCC(=[N@H])NC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O)Cc4ccccc4;O[CH]1CO[CH](OC[CH]2O[CH](NC(=N)CCCS[CH]3CC(=O)N(Cc4ccccc4)C3=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;c1ccc(cc1)CN2C(=O)CC(C2=O)SCCCC(=N)NC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O","InChI=1S/C26H37N3O11S/c27-17(7-4-8-41-16-9-18(31)29(25(16)37)10-13-5-2-1-3-6-13)28-24-22(35)21(34)20(33)15(40-24)12-39-26-23(36)19(32)14(30)11-38-26/h1-3,5-6,14-16,19-24,26,30,32-36H,4,7-12H2,(H2,27,28)/t14-,15-,16-,19+,20-,21+,22-,23-,24-,26+/m1/s1","4-[(3R)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]sulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2\nS,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanimidamide","2014-01-31","2020-06-17","N-[(1Z)-4-{[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]sulfanyl}butanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine","2014-04-23"],["A1ABZ","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid","C18 H19 N4 O7 P","O=C(O)C(Cc1c[NH]c2ncccc21)=NC=C1/C(O)=C(C)NC=C1COP(=O)(O)O;CC1=C(O)C(=CN=C(Cc2c[nH]c3ncccc23)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(Cc2c[nH]c3c2cccn3)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C18H19N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-8,20,23H,5,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/b14-8-,21-15+","","2024-01-05","2024-01-26","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid","2024-01-31"],["A1IAA","1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone","C18 H29 N3 O2","CCCc1c([nH]c(C)c1C(C)=O)C(=O)N2CCC[CH](C2)[CH](C)N;CCCc1c(c([nH]c1C(=O)N2CCCC(C2)C(C)N)C)C(=O)C","InChI=1S/C18H29N3O2/c1-5-7-15-16(13(4)22)12(3)20-17(15)18(23)21-9-6-8-14(10-21)11(2)19/h11,14,20H,5-10,19H2,1-4H3/t11-,14-/m1/s1","","2024-05-03","2025-05-09","1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone","2025-05-14"],["A1IAB","1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone","C22 H31 N5 O2","CC(=O)c1c(C)[nH]c(c1C)C(=O)N2CCC[CH](C2)c3n[nH]cc3CN4CCCC4;Cc1c(c([nH]c1C(=O)N2CCCC(C2)c3c(c[nH]n3)CN4CCCC4)C)C(=O)C","InChI=1S/C22H31N5O2/c1-14-19(16(3)28)15(2)24-20(14)22(29)27-10-6-7-17(13-27)21-18(11-23-25-21)12-26-8-4-5-9-26/h11,17,24H,4-10,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1","","2024-05-03","2025-05-09","1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone","2025-05-14"],["G27","(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL","C15 H23 N O3","OCC2CN(CCCc1ccccc1)CC(O)C2O;OC[CH]1CN(CCCc2ccccc2)C[CH](O)[CH]1O;c1ccc(cc1)CCCN2CC(C(C(C2)O)O)CO","InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1","","2006-04-03","2011-06-04","(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol",""],["XIS","4-diphenylphosphanylbenzoic acid","C19 H15 O2 P","OC(=O)c1ccc(cc1)P(c2ccccc2)c3ccccc3;c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O","InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)","","2019-10-17","2019-10-25","4-diphenylphosphanylbenzoic acid","2019-10-30"],["A1BTV","N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-2-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-2-carboximidamide","C23 H23 N7 S2","N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)NC(=N)c1nccs1)c1nccs1;N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3sccn3)c2)cc1)c4sccn4;c1cc(cc(c1)NC(=N)c2nccs2)CNCCc3ccc(cc3)NC(=N)c4nccs4","InChI=1S/C23H23N7S2/c24-20(22-27-10-12-31-22)29-18-6-4-16(5-7-18)8-9-26-15-17-2-1-3-19(14-17)30-21(25)23-28-11-13-32-23/h1-7,10-14,26H,8-9,15H2,(H2,24,29)(H2,25,30)","","2025-01-20","2025-11-21","N-[3-({[2-(4-{[(E)-imino(1,3-thiazol-2-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-2-carboximidamide","2025-11-26"],["ZPB","N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C13 H19 N3 O2 S","O=C(N1CCN(CC1)C(=O)NC(C)C)c1cccs1;CC(C)NC(=O)N1CCN(CC1)C(=O)c2sccc2;CC(C)NC(=O)N1CCN(CC1)C(=O)c2cccs2","InChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)","","2023-03-17","2023-03-24","N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["A1ACB","5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one","C13 H11 Cl N4 O S","Clc1cnc(SC)nc1Nc1cc2CC(=O)Nc2cc1;CSc1ncc(Cl)c(Nc2ccc3NC(=O)Cc3c2)n1;CSc1ncc(c(n1)Nc2ccc3c(c2)CC(=O)N3)Cl","InChI=1S/C13H11ClN4OS/c1-20-13-15-6-9(14)12(18-13)16-8-2-3-10-7(4-8)5-11(19)17-10/h2-4,6H,5H2,1H3,(H,17,19)(H,15,16,18)","","2024-01-09","2024-12-06","5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one","2024-12-11"],["XIT","4-(4-hydroxyphenethyl)benzoic acid","C15 H14 O3","OC(=O)c1ccc(CCc2ccc(O)cc2)cc1;c1cc(ccc1CCc2ccc(cc2)O)C(=O)O","InChI=1S/C15H14O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10,16H,1-2H2,(H,17,18)","4-[2-(4-hydroxyphenyl)ethyl]benzoic acid","2023-11-02","2024-03-15","4-[2-(4-hydroxyphenyl)ethyl]benzoic acid","2024-03-20"],["G28","5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid","C13 H21 N3 O5","C(O)(=O)C1=CC(C(NC(=O)C)C(O1)C(=O)N(CC)CC)N;CCN(CC)C(=O)[CH]1OC(=C[CH](N)[CH]1NC(C)=O)C(O)=O;CCN(CC)C(=O)C1C(C(C=C(O1)C(=O)O)N)NC(=O)C","InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1","5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID","1999-07-08","2020-07-17","(2R,3R,4S)-3-(acetylamino)-4-amino-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)",""],["A1IAR","3-methyl-2-(prop-2-ynoxymethyl)imidazol-4-amine","C8 H11 N3 O","Cn1c(N)cnc1COCC#C;Cn1c(cnc1COCC#C)N","InChI=1S/C8H11N3O/c1-3-4-12-6-8-10-5-7(9)11(8)2/h1,5H,4,6,9H2,2H3","","2024-05-08","2025-05-09","3-methyl-2-(prop-2-ynoxymethyl)imidazol-4-amine","2025-05-14"],["ZPC","(5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate","C17 H17 Cl N6 O3","O=C(OC3c1nccnc1C(=O)N3c2ncc(Cl)cc2)N4CCN(C)CC4;CN1CCN(CC1)C(=O)O[CH]2N(C(=O)c3nccnc23)c4ccc(Cl)cn4;CN1CCN(CC1)C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl","InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1","R-ZOPICLONE","2011-11-25","2021-03-01","(5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate","2012-10-12"],["A1ACR","5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one","C13 H9 Cl2 N3 O","Clc1cc(Nc2cc3CC(=O)Nc3cc2)c(Cl)cn1;Clc1cc(Nc2ccc3NC(=O)Cc3c2)c(Cl)cn1;c1cc2c(cc1Nc3cc(ncc3Cl)Cl)CC(=O)N2","InChI=1S/C13H9Cl2N3O/c14-9-6-16-12(15)5-11(9)17-8-1-2-10-7(3-8)4-13(19)18-10/h1-3,5-6H,4H2,(H,16,17)(H,18,19)","","2024-01-16","2024-12-06","5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one","2024-12-11"],["A1ADB","N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide","C33 H35 N9 O","Cc1cc(nc(N)n1)Nc1cc(cc(NC(=O)c2cccc(Nc3ccnc4ccccc43)c2)c1)CN1CCN(C)CC1;CN1CCN(CC1)Cc2cc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc(Nc6cc(C)nc(N)n6)c2;Cc1cc(nc(n1)N)Nc2cc(cc(c2)NC(=O)c3cccc(c3)Nc4ccnc5c4cccc5)CN6CCN(CC6)C","InChI=1S/C33H35N9O/c1-22-16-31(40-33(34)36-22)38-26-17-23(21-42-14-12-41(2)13-15-42)18-27(20-26)39-32(43)24-6-5-7-25(19-24)37-30-10-11-35-29-9-4-3-8-28(29)30/h3-11,16-20H,12-15,21H2,1-2H3,(H,35,37)(H,39,43)(H3,34,36,38,40)","","2024-01-19","2024-09-20","N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide","2024-09-25"],["A1BUR","2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol","C10 H12 N2 O3 S","CS(=O)(=O)c1nc2ccccc2n1CCO;C[S](=O)(=O)c1nc2ccccc2n1CCO;CS(=O)(=O)c1nc2ccccc2n1CCO","InChI=1S/C10H12N2O3S/c1-16(14,15)10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3","","2025-01-27","2026-01-23","2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol","2026-01-28"],["ZPD","(4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate","C39 H79 O8 P","OC1C(CC(OP(=O)(O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(O)C1O)CO;CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(=O)O[CH]1C[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)OC1CC(C(C(C1O)O)O)CO","InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)47-36-28-35(29-40)37(41)39(43)38(36)42/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31-,32-,33+,34-,35+,36+,37+,38+,39-/m0/s1","","2021-05-18","2021-11-12","(4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate","2021-11-17"],["A1ADE","methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate","C25 H21 Cl N4 O4","O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC;CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC;CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl","InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)","","2024-01-20","2024-08-30","methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate","2024-09-04"],["G29","(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione","C23 H28 O3","O=C4C3(CCC2C1(C=CC(=O)C=C1C(OCC#CC)CC2C3CC4)C)C;CC#CCO[CH]1C[CH]2[CH]3CCC(=O)[C]3(C)CC[CH]2[C]4(C)C=CC(=O)C=C14;CC#CCOC1CC2C3CCC(=O)C3(CCC2C4(C1=CC(=O)C=C4)C)C","InChI=1S/C23H28O3/c1-4-5-12-26-20-14-16-17-6-7-21(25)23(17,3)11-9-18(16)22(2)10-8-15(24)13-19(20)22/h8,10,13,16-18,20H,6-7,9,11-12,14H2,1-3H3/t16-,17-,18-,20+,22+,23-/m0/s1","","2012-08-28","2012-09-07","(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione","2012-09-07"],["A1ACV","(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine","C25 H27 N9","Cn1nc(nn1)c1cc2[NH]c3nc(Cc4ccccc4)nc(NC4CCC(N)CC4)c3c2cc1;Cn1nnc(n1)c2ccc3c([nH]c4nc(Cc5ccccc5)nc(N[CH]6CC[CH](N)CC6)c34)c2;Cn1nc(nn1)c2ccc3c(c2)[nH]c4c3c(nc(n4)Cc5ccccc5)NC6CCC(CC6)N","InChI=1S/C25H27N9/c1-34-32-23(31-33-34)16-7-12-19-20(14-16)28-25-22(19)24(27-18-10-8-17(26)9-11-18)29-21(30-25)13-15-5-3-2-4-6-15/h2-7,12,14,17-18H,8-11,13,26H2,1H3,(H2,27,28,29,30)/t17-,18-","","2024-01-16","2024-11-29","(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine","2024-12-04"],["XIU","2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide","C24 H19 Cl N6 O","Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)c5[nH]cnc5)c1;c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)c5cnc[nH]5","InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)","CCF0058981","2023-11-03","2024-04-12","2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide","2024-04-17"],["A1BUV","[(3S)-oxan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate","C20 H19 F O4","Fc1ccc(cc1)C(=O)c1ccccc1C(=O)OCC1CCCOC1;Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[CH]3CCCOC3;c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCC3CCCOC3","InChI=1S/C20H19FO4/c21-16-9-7-15(8-10-16)19(22)17-5-1-2-6-18(17)20(23)25-13-14-4-3-11-24-12-14/h1-2,5-10,14H,3-4,11-13H2/t14-/m0/s1","","2025-01-27","2026-01-23","[(3S)-oxan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate","2026-01-28"],["A1IAZ","2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine","C20 H21 N3 O2","Cc1cccc(n1)c2nc([nH]c2c3ccc4OCOc4c3)C(C)(C)C;Cc1cccc(n1)c2c([nH]c(n2)C(C)(C)C)c3ccc4c(c3)OCO4","InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)","","2024-05-09","2024-12-20","2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine","2024-12-25"],["A1BVB","N~2~-methyl-N-{6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-L-alaninamide","C14 H14 N4 O S","CC(NC)C(=O)Nc1nc(C#Cc2cncs2)ccc1;CN[CH](C)C(=O)Nc1cccc(n1)C#Cc2scnc2;CC(C(=O)Nc1cccc(n1)C#Cc2cncs2)NC","InChI=1S/C14H14N4OS/c1-10(15-2)14(19)18-13-5-3-4-11(17-13)6-7-12-8-16-9-20-12/h3-5,8-10,15H,1-2H3,(H,17,18,19)/t10-/m0/s1","","2025-01-28","2026-01-16","N~2~-methyl-N-{6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-L-alaninamide","2026-01-21"],["ZPE","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate","C37 H70 N O8 P","O=C(OCC(OC(=O)CCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCC=C/CCCCCC;CCCCCCCCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCCCC=CCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCC)COP(=O)(O)OCCN","InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,22,24,35H,3-12,14,16-21,23,25-34,38H2,1-2H3,(H,41,42)/b15-13-,24-22?/t35-/m1/s1","","2013-03-11","2013-11-01","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-tetradec-5-enoyloxy]propyl (11Z)-octadec-11-enoate","2013-11-06"],["A1ADF","4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid","C15 H15 N3 O2","CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1;CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(O)=O;CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(=O)O","InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+","","2024-01-21","2024-09-27","4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid","2024-08-07"],["XIV","4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}-2,3-difluorobenzene-1-sulfonamide","C26 H29 Cl F2 N4 O4 S","NS(=O)(=O)c1ccc(c(F)c1F)C(=O)N1CCc2[NH]nc(OCc3cc(C)c(Cl)cc3C(C)(C)C)c2CC1;Cc1cc(COc2n[nH]c3CCN(CCc23)C(=O)c4ccc(c(F)c4F)[S](N)(=O)=O)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)COc2c3c([nH]n2)CCN(CC3)C(=O)c4ccc(c(c4F)F)S(=O)(=O)N","InChI=1S/C26H29ClF2N4O4S/c1-14-11-15(18(12-19(14)27)26(2,3)4)13-37-24-16-7-9-33(10-8-20(16)31-32-24)25(34)17-5-6-21(38(30,35)36)23(29)22(17)28/h5-6,11-12H,7-10,13H2,1-4H3,(H,31,32)(H2,30,35,36)","","2023-06-07","2024-12-13","4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}-2,3-difluorobenzene-1-sulfonamide","2024-12-18"],["A1IB9","(2E)-3-(4-nitrophenyl)prop-2-en-1-ol","C9 H9 N O3","O=[N+]([O-])c1ccc(/C=C/CO)cc1;OCC=Cc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C=CCO)[N+](=O)[O-]","InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+","(~{E})-3-(4-nitrophenyl)prop-2-en-1-ol","2024-05-21","2026-04-03","(2E)-3-(4-nitrophenyl)prop-2-en-1-ol","2025-03-12"],["A1ACZ","8-chloroadenosine","C10 H12 Cl N5 O4","Nc1ncnc2c1nc(Cl)n2C1OC(CO)C(O)C1O;Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(Cl)nc12;c1nc(c2c(n1)n(c(n2)Cl)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1","","2024-01-17","2024-12-06","8-chloroadenosine","2024-12-11"],["G2A","2-hydroxy-1-(hydroxymethyl)ethyl icosanoate","C23 H46 O4","O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO;CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO","InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3","","2012-06-26","2014-09-05","1,3-dihydroxypropan-2-yl icosanoate","2013-08-14"],["A1ADA","5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one","C14 H14 Cl N5 O","CN(C)c1ncc(Cl)c(n1)Nc1cc2CC(=O)Nc2cc1;CN(C)c1ncc(Cl)c(Nc2ccc3NC(=O)Cc3c2)n1;CN(C)c1ncc(c(n1)Nc2ccc3c(c2)CC(=O)N3)Cl","InChI=1S/C14H14ClN5O/c1-20(2)14-16-7-10(15)13(19-14)17-9-3-4-11-8(5-9)6-12(21)18-11/h3-5,7H,6H2,1-2H3,(H,18,21)(H,16,17,19)","","2024-01-18","2024-12-06","5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one","2024-12-11"],["A1BVF","3-(chloromethyl)-1H-indazole-5-carbohydrazide","C9 H9 Cl N4 O","NNC(=O)c1cc2c(cc1)[NH]nc2CCl;NNC(=O)c1ccc2[nH]nc(CCl)c2c1;c1cc2c(cc1C(=O)NN)c(n[nH]2)CCl","InChI=1S/C9H9ClN4O/c10-4-8-6-3-5(9(15)12-11)1-2-7(6)13-14-8/h1-3H,4,11H2,(H,12,15)(H,13,14)","","2025-01-28","2026-01-23","3-(chloromethyl)-1H-indazole-5-carbohydrazide","2026-01-28"],["G2B","1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea","C5 H13 N3 O2","C[CH](O)[CH](N)CNC(N)=O;CC(C(CNC(=O)N)N)O","InChI=1S/C5H13N3O2/c1-3(9)4(6)2-8-5(7)10/h3-4,9H,2,6H2,1H3,(H3,7,8,10)/t3-,4+/m0/s1","","2018-08-22","2020-07-03","1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea","2020-07-08"],["ZPF","N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide","C9 H15 N O6","C2(C(C1(COC(O1)C2NC(=O)C)CO)O)O;CC(=O)N[CH]1[CH](O)[CH](O)[C]2(CO)CO[CH]1O2;CC(=O)NC1C(C(C2(COC1O2)CO)O)O","InChI=1S/C9H15NO6/c1-4(12)10-5-6(13)7(14)9(2-11)3-15-8(5)16-9/h5-8,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6-,7-,8+,9+/m1/s1","","2016-05-06","2017-06-09","N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (non-preferred name)","2017-06-14"],["A1IBA","N-(4-quinazolin-4-ylphenyl)propanamide","C17 H15 N3 O","CCC(=O)Nc1ccc(cc1)c2ncnc3ccccc23;CCC(=O)Nc1ccc(cc1)c2c3ccccc3ncn2","InChI=1S/C17H15N3O/c1-2-16(21)20-13-9-7-12(8-10-13)17-14-5-3-4-6-15(14)18-11-19-17/h3-11H,2H2,1H3,(H,20,21)","","2024-05-10","2025-01-03","~{N}-(4-quinazolin-4-ylphenyl)propanamide","2025-01-08"],["XIW","4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid","C15 H12 N4 O2","Nc1ccc(cc1)c2n[nH]nc2c3ccc(cc3)C(O)=O;c1cc(ccc1c2c(n[nH]n2)c3ccc(cc3)N)C(=O)O","InChI=1S/C15H12N4O2/c16-12-7-5-10(6-8-12)14-13(17-19-18-14)9-1-3-11(4-2-9)15(20)21/h1-8H,16H2,(H,20,21)(H,17,18,19)","4-[5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl]benzoic acid","2023-11-02","2024-11-08","4-[5-(4-aminophenyl)-2~{H}-1,2,3-triazol-4-yl]benzoic acid","2024-11-13"],["XIX","3,5-DIAMINO-1H-[1,2,4]TRIAZOLE","C2 H5 N5","n1c(nnc1N)N;Nc1[nH]nc(N)n1;c1([nH]nc(n1)N)N","InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)","","2010-07-01","2011-06-04","1H-1,2,4-triazole-3,5-diamine",""],["A1IBE","~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide","C9 H13 F N2 O3 S","NC[CH](O)CN[S](=O)(=O)c1ccccc1F;c1ccc(c(c1)F)S(=O)(=O)NCC(CN)O","InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1","","2024-05-10","2024-06-28","~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide","2024-07-03"],["A1ADQ","N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide","C43 H32 Cl F9 N8 O5 S","CCS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2N1C(=O)c2ccc(cc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2CCCc21)C(F)(F)F)c1ccc(C=O)c(F)c1;CC[S](=O)(=O)Nc1nn(CC(F)(F)F)c2c(ccc(Cl)c12)N3C(=O)c4ccc(cc4N=C3[CH](Cc5cc(F)cc(F)c5)NC(=O)Cn6nc(c7CCCc67)C(F)(F)F)c8ccc(C=O)c(F)c8;CCS(=O)(=O)Nc1c2c(ccc(c2n(n1)CC(F)(F)F)N3C(=O)c4ccc(cc4N=C3C(Cc5cc(cc(c5)F)F)NC(=O)Cn6c7c(c(n6)C(F)(F)F)CCC7)c8ccc(c(c8)F)C=O)Cl","InChI=1S/C43H32ClF9N8O5S/c1-2-67(65,66)58-39-36-29(44)10-11-34(37(36)60(57-39)20-42(48,49)50)61-40(55-31-16-23(8-9-27(31)41(61)64)22-6-7-24(19-62)30(47)15-22)32(14-21-12-25(45)17-26(46)13-21)54-35(63)18-59-33-5-3-4-28(33)38(56-59)43(51,52)53/h6-13,15-17,19,32H,2-5,14,18,20H2,1H3,(H,54,63)(H,57,58)","","2024-01-24","2025-07-18","N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide","2025-07-23"],["ZPG","(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL","C21 H44 O8","O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COCC(O)C)C;C[CH](O)COC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)O;CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O)O","InChI=1S/C21H44O8/c1-15(22)8-24-10-17(3)26-12-19(5)28-14-21(7)29-13-20(6)27-11-18(4)25-9-16(2)23/h15-23H,8-14H2,1-7H3/t15-,16+,17+,18-,19+,20-,21+/m1/s1","","2006-06-05","2011-06-04","(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol",""],["G2C","2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine","C11 H16 Cl2 N5 O12 P3","O=P(O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N","InChI=1S/C11H16Cl2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-2-5-4(19)1-6(29-5)18-3-15-7-8(18)16-10(14)17-9(7)20/h3-6,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+/m0/s1","","2009-09-11","2011-06-04","2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["A1ADP","(2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid","C23 H27 N5 O8 S","OC(=O)C1NC(SCC1=C)C(C=O)NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)c1ccc(O)cc1;CCN1CCN(C(=O)N[CH](C(=O)N[CH](C=O)[CH]2N[CH](C(O)=O)C(=C)CS2)c3ccc(O)cc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccc(cc2)O)C(=O)NC(C=O)C3NC(C(=C)CS3)C(=O)O","InChI=1S/C23H27N5O8S/c1-3-27-8-9-28(21(33)20(27)32)23(36)26-17(13-4-6-14(30)7-5-13)18(31)24-15(10-29)19-25-16(22(34)35)12(2)11-37-19/h4-7,10,15-17,19,25,30H,2-3,8-9,11H2,1H3,(H,24,31)(H,26,36)(H,34,35)/t15-,16-,17-,19-/m1/s1","","2024-01-24","2024-09-27","(2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid","2024-03-20"],["A1BVV","(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid","C23 H32 N4 O8 S","CNC(=O)C(C)CC(NC(=O)C(CC1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1)C(O)S(=O)(=O)O;CNC(=O)[CH](C)C[CH](NC(=O)[CH](CC1CC1)NC(=O)c2[nH]c3cccc(OC)c3c2)[CH](O)[S](O)(=O)=O;CC(CC(C(O)S(=O)(=O)O)NC(=O)C(CC1CC1)NC(=O)c2cc3c([nH]2)cccc3OC)C(=O)NC","InChI=1S/C23H32N4O8S/c1-12(20(28)24-2)9-18(23(31)36(32,33)34)27-21(29)16(10-13-7-8-13)26-22(30)17-11-14-15(25-17)5-4-6-19(14)35-3/h4-6,11-13,16,18,23,25,31H,7-10H2,1-3H3,(H,24,28)(H,26,30)(H,27,29)(H,32,33,34)/t12-,16-,18-,23-/m0/s1","","2025-02-03","2025-08-15","(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid","2025-08-20"],["A1ADU","(S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride","C23 H27 Cl2 F N4 O3 S","O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl;CN(C)[CH]1CCN(C1)[S](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C(=O)N3CCO[CH](C3)c4ccccc4;CN(C)C1CCN(C1)S(=Nc2cc(c(c(c2)Cl)C(=O)N3CCOC(C3)c4ccccc4)Cl)(=O)F","InChI=1S/C23H27Cl2FN4O3S/c1-28(2)18-8-9-30(14-18)34(26,32)27-17-12-19(24)22(20(25)13-17)23(31)29-10-11-33-21(15-29)16-6-4-3-5-7-16/h3-7,12-13,18,21H,8-11,14-15H2,1-2H3/t18-,21-,34-/m1/s1","","2024-01-29","2024-05-31","(S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride","2024-06-05"],["ZPH","methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate","C15 H24 N O5 P","O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1;COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](N)CC(C)C;CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)OC","InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1","LP(0)PHEOMe","2010-10-22","2021-03-01","methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate",""],["A1ICB","(2S,4S)-4-[(2-chloranyl-5-methyl-phenyl)carbonylamino]pyrrolidine-2-carboxylic acid","C13 H15 Cl N2 O3","Cc1ccc(Cl)c(c1)C(=O)N[CH]2CN[CH](C2)C(O)=O;Cc1ccc(c(c1)C(=O)NC2CC(NC2)C(=O)O)Cl","InChI=1S/C13H15ClN2O3/c1-7-2-3-10(14)9(4-7)12(17)16-8-5-11(13(18)19)15-6-8/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t8-,11-/m0/s1","","2024-05-21","2025-06-06","(2~{S},4~{S})-4-[(2-chloranyl-5-methyl-phenyl)carbonylamino]pyrrolidine-2-carboxylic acid","2025-06-11"],["G2D","N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide","C24 H25 N3 O2","c5c(c(cc(C(NC4c3c(ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C;COc1cc(ccc1C)C(=O)N[CH]2CCc3ccc(cc23)c4cn5CCCc5n4;Cc1ccc(cc1OC)C(=O)NC2CCc3c2cc(cc3)c4cn5c(n4)CCC5","InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1","","2018-05-02","2018-07-13","N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide","2018-07-18"],["A1BW9","1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine","C31 H31 F N6 O2","Fc1ccc(c(C)c1)c1cc(CN2C=CN(C)C2=N)cc2c1CCc1c2nnn1Cc1cc(OC)cc(OC)c1;COc1cc(Cn2nnc3c2CCc4c(cc(CN5C=CN(C)C5=N)cc34)c6ccc(F)cc6C)cc(OC)c1;Cc1cc(ccc1c2cc(cc-3c2CCc4c3nnn4Cc5cc(cc(c5)OC)OC)CN6C=CN(C6=N)C)F","InChI=1S/C31H31FN6O2/c1-19-11-22(32)5-6-25(19)27-14-21(17-37-10-9-36(2)31(37)33)15-28-26(27)7-8-29-30(28)34-35-38(29)18-20-12-23(39-3)16-24(13-20)40-4/h5-6,9-16,33H,7-8,17-18H2,1-4H3/b33-31+","","2025-02-18","2025-08-08","1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine","2025-08-13"],["XIY","2-HYDROXYMETHYL-BENZOIMIDAZOLE","C8 H8 N2 O","OCc2nc1ccccc1n2;OCc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)CO","InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)","1H-BENZIMIDAZOL-2-YLMETHANOL","2010-07-01","2021-03-01","1H-benzimidazol-2-ylmethanol",""],["A1AEA","palazestrant","C28 H36 F N3 O","CCCN1CC(C1)Oc1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C)N1CC(C)(C)F;CCCN1CC(C1)Oc2ccc(cc2)[CH]3N(CC(C)(C)F)[CH](C)Cc4c3[nH]c5ccccc45;CCCN1CC(C1)Oc2ccc(cc2)C3c4c(c5ccccc5[nH]4)CC(N3CC(C)(C)F)C","InChI=1S/C28H36FN3O/c1-5-14-31-16-22(17-31)33-21-12-10-20(11-13-21)27-26-24(23-8-6-7-9-25(23)30-26)15-19(2)32(27)18-28(3,4)29/h6-13,19,22,27,30H,5,14-18H2,1-4H3/t19-,27-/m1/s1","(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","2024-02-06","2025-03-14","(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","2025-03-19"],["A1ICR","Polyoxidovanadate complex","O51 V20","[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O--].[O--].[O--].[O--].[V+4][O--][V+4]1[O--][V+4][O--][V+4]2[O--][V+4]3[O--][V+4][O--][V+4]4([O--][V+4]([O--][V+4])[O--][V+4](=[O--])=[O--])[O--][V+4]5[O--][V+4][O--][V+4][O--][V+4]([O--]3)[O--][V+4]([O--][V+4])([O--]1)[O--][V+4]6[O--][V+4]([O--]5)[O--][V+4]([O--]2)([O--][V+4](=[O--])[O--]6)[O--]4;[O-2]=[V+4]12[O-2][V+4]34(=[O-])[O-2][V+4]56(=[O-])[O-2][V+4]78(=[O-])[O-2]3[V+4]93(=[O-])[O-2]7[V+4]7(=[O-])[O-2][V+4]%10%11(=[O-])[O-2]9[V+4]9(=[O-])([O-2]43)[O-2]1[V+4]1(=[O-])([O-2]9%10)[O-2][V+4]3(=[O-])([O-2]%11)[O-2]4[V+4](=[O-])([O-2]7[V+4]7(=[O-])[O-2]8[V+4]89(=[O-])[O-2]7[V+4]4(=[O-])[O-2]3[V+4]3(=[O-])([O-2]8)[O-2]1[V+4]1(=[O-])[O-2]2[V+4](=[O-])([O-2]5[V+4](=[O-])([O-2]31)[O-2]69)[O-2][V+4](=[O-])(=[O-])([O-2])[O-2])[O-2][V+4](=[O-2])(=[O-2])([O-2])[O-2]","InChI=1S/51O.20V/q32*-2;19*-1;20*+4","VUF-6884","2024-06-03","2024-06-21","","2024-06-26"],["G2E","(7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one","C21 H21 N O4","CCCCCN1C(=O)[C]2(COc3cc4OCOc4cc23)c5ccccc15;CCCCCN1c2ccccc2C3(C1=O)COc4c3cc5c(c4)OCO5","InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3/t21-/m1/s1","","2022-05-03","2022-11-25","(7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one","2022-11-30"],["A1AEE","2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium","C30 H26 N5 O S","CN1C=C/C(=Cc2sc3ccccc3[n+]2CC(=O)NCc2ccccc2n2cccn2)c2ccccc21;CN1C=CC(=Cc2sc3ccccc3[n+]2CC(=O)NCc4ccccc4n5cccn5)c6ccccc16;CN1C=CC(=Cc2[n+](c3ccccc3s2)CC(=O)NCc4ccccc4n5cccn5)c6c1cccc6","InChI=1S/C30H25N5OS/c1-33-18-15-22(24-10-3-5-12-26(24)33)19-30-34(27-13-6-7-14-28(27)37-30)21-29(36)31-20-23-9-2-4-11-25(23)35-17-8-16-32-35/h2-19H,20-21H2,1H3/p+1","365A-087","2024-02-07","2025-02-14","2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium","2025-02-19"],["XIZ","(E)-PYRIDIN-4-YL-ACRYLIC ACID","C8 H7 N O2","O=C(O)C=Cc1ccncc1;OC(=O)C=Cc1ccncc1;c1cnccc1C=CC(=O)O","InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+","(2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID","2010-07-01","2021-03-01","(2E)-3-pyridin-4-ylprop-2-enoic acid",""],["A1BWA","N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide","C24 H19 F2 N5 O2 S","CSc1nc(c2cc(NC(=O)c3c(F)cccc3F)ccc2)c([NH]1)c1ccnc(NC(C)=O)c1;CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4c(F)cccc4F)c3;CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(cccc4F)F","InChI=1S/C24H19F2N5O2S/c1-13(32)28-19-12-15(9-10-27-19)22-21(30-24(31-22)34-2)14-5-3-6-16(11-14)29-23(33)20-17(25)7-4-8-18(20)26/h3-12H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32)","","2025-02-06","2025-08-08","N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide","2025-08-13"],["ZPI","6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile","C13 H12 N2","N#Cc1cccc2c3CCCCc3[nH]c12;c1cc(c2c(c1)c3c([nH]2)CCCC3)C#N","InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2","","2023-06-29","2024-01-26","6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile","2024-01-31"],["A1ADV","(S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride","C23 H28 Cl F N4 O3 S","O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl;CN(C)[CH]1CCN(C1)[S](F)(=O)=Nc2ccc(c(Cl)c2)C(=O)N3CCO[CH](C3)c4ccccc4;CN(C)C1CCN(C1)S(=Nc2ccc(c(c2)Cl)C(=O)N3CCOC(C3)c4ccccc4)(=O)F","InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22-,33-/m1/s1","","2024-01-29","2024-05-31","(S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride","2024-06-05"],["G2F","2-deoxy-2-fluoro-alpha-D-glucopyranose","C6 H11 F O5","FC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)F)O)O)O","InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1","2-deoxy-2-fluoro-alpha-D-glucose; 2-deoxy-2-fluoro-D-glucose; 2-deoxy-2-fluoro-glucose","1999-07-08","2024-09-27","2-deoxy-2-fluoro-alpha-D-glucopyranose",""],["A1BWC","N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea","C22 H22 F5 N5 O3","FC(F)(F)c1c[NH]c2nccc(Oc3c(F)cc(cc3F)NC(=O)NCCCN3CCOCC3)c21;Fc1cc(NC(=O)NCCCN2CCOCC2)cc(F)c1Oc3ccnc4[nH]cc(c34)C(F)(F)F;c1cnc2c(c1Oc3c(cc(cc3F)NC(=O)NCCCN4CCOCC4)F)c(c[nH]2)C(F)(F)F","InChI=1S/C22H22F5N5O3/c23-15-10-13(31-21(33)29-3-1-5-32-6-8-34-9-7-32)11-16(24)19(15)35-17-2-4-28-20-18(17)14(12-30-20)22(25,26)27/h2,4,10-12H,1,3,5-9H2,(H,28,30)(H2,29,31,33)","","2025-02-07","2025-06-20","N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea","2025-06-25"],["A1AEF","3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium","C27 H23 F N3 O S","Fc1ccccc1CNC(=O)C[n+]1c2ccccc2sc1C=C1/C=CN(C)c2ccccc21;CN1C=CC(=Cc2sc3ccccc3[n+]2CC(=O)NCc4ccccc4F)c5ccccc15;CN1C=CC(=Cc2[n+](c3ccccc3s2)CC(=O)NCc4ccccc4F)c5c1cccc5","InChI=1S/C27H22FN3OS/c1-30-15-14-19(21-9-3-5-11-23(21)30)16-27-31(24-12-6-7-13-25(24)33-27)18-26(32)29-17-20-8-2-4-10-22(20)28/h2-16H,17-18H2,1H3/p+1","365A-088","2024-02-07","2025-02-14","3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium","2025-02-19"],["ZPJ","cyclopropanecarboxylic acid","C4 H6 O2","O=C(O)C1CC1;OC(=O)C1CC1;C1CC1C(=O)O","InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)","","2021-05-18","2022-01-14","cyclopropanecarboxylic acid","2022-01-19"],["A1ADY","(2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol","C9 H10 N2 O4","O=[N+]([O-])c1ccccc1CC(N)C(=O)O;N[CH](Cc1ccccc1[N+]([O-])=O)C(O)=O;c1ccc(c(c1)CC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1","","2024-01-29","2024-10-02","2-nitro-L-phenylalanine","2024-03-13"],["XJ0","(E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID","C7 H7 N3 O2","O=C(O)/C=C/c1cnc(nc1)N;Nc1ncc(C=CC(O)=O)cn1;c1c(cnc(n1)N)C=CC(=O)O","InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+","(2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID","2010-07-01","2020-06-17","(2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid",""],["A1IDE","5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidine","C15 H13 N6","Cn1cc(cn1)c2cc[n+]3[nH]cc(c4ccncc4)c3n2;Cn1cc(cn1)c2cc[n+]3c(n2)c(c[nH]3)c4ccncc4","InChI=1S/C15H12N6/c1-20-10-12(8-17-20)14-4-7-21-15(19-14)13(9-18-21)11-2-5-16-6-3-11/h2-10H,1H3/p+1","","2024-06-05","2024-10-11","5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidin-8-ium","2024-10-16"],["A1IER","(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol","C16 H12 Cl N5 O","O[CH](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34;c1ccc(cc1)n2cc(nn2)C(c3cc(cc4n3cnc4)Cl)O","InChI=1S/C16H12ClN5O/c17-11-6-13-8-18-10-21(13)15(7-11)16(23)14-9-22(20-19-14)12-4-2-1-3-5-12/h1-10,16,23H","","2024-06-14","2025-04-18","(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol","2025-04-23"],["G2G","5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM","C35 H39 N6 O2","O=C(Nc2[n+](c1ccc(cc1)C)nc(c2)C(C)(C)C)Nc4c3c(cccc3)c(cc4)c5ccc(nc5)CN6CCOCC6;Cc1ccc(cc1)[n+]2[nH]c(cc2NC(=O)Nc3ccc(c4ccc(CN5CCOCC5)nc4)c6ccccc36)C(C)(C)C;Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6","InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,39,42)/p+1","","2007-06-06","2011-06-04","5-tert-butyl-2-(4-methylphenyl)-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]-1H-pyrazol-2-ium",""],["A1AEQ","(2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal","C16 H17 N O S","C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C;CN(C)c1ccc(cc1)c2sc(cc2)C(C)=CC=O;CC(=CC=O)c1ccc(s1)c2ccc(cc2)N(C)C","InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+","","2024-02-13","2024-09-27","(2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal","2024-04-03"],["A1BWO","methyl ({(5S)-3-[4-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)carbamate","C16 H19 F2 N3 O6 S","O=S1(=O)CCN(CC1)c1c(F)cc(cc1F)N1CC(CNC(=O)OC)OC1=O;COC(=O)NC[CH]1CN(C(=O)O1)c2cc(F)c(N3CC[S](=O)(=O)CC3)c(F)c2;COC(=O)NCC1CN(C(=O)O1)c2cc(c(c(c2)F)N3CCS(=O)(=O)CC3)F","InChI=1S/C16H19F2N3O6S/c1-26-15(22)19-8-11-9-21(16(23)27-11)10-6-12(17)14(13(18)7-10)20-2-4-28(24,25)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22)/t11-/m0/s1","","2025-02-12","2025-12-19","methyl ({(5S)-3-[4-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)carbamate","2025-12-24"],["XJ1","(2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID","C19 H22 N4 O2","O=C(O)C=Cc3cccc(c2nc(NC1CCC(N)CC1)cnc2)c3;N[CH]1CC[CH](CC1)Nc2cncc(n2)c3cccc(C=CC(O)=O)c3;c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)C=CC(=O)O","InChI=1S/C19H22N4O2/c20-15-5-7-16(8-6-15)22-18-12-21-11-17(23-18)14-3-1-2-13(10-14)4-9-19(24)25/h1-4,9-12,15-16H,5-8,20H2,(H,22,23)(H,24,25)/b9-4+/t15-,16-","","2010-07-01","2011-06-04","(2E)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid",""],["ZPL","N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C17 H22 N4 O2 S2","O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C)s1;Cc1sc(CCNC(=O)N2CCN(CC2)C(=O)c3sccc3)nc1C;Cc1c(sc(n1)CCNC(=O)N2CCN(CC2)C(=O)c3cccs3)C","InChI=1S/C17H22N4O2S2/c1-12-13(2)25-15(19-12)5-6-18-17(23)21-9-7-20(8-10-21)16(22)14-4-3-11-24-14/h3-4,11H,5-10H2,1-2H3,(H,18,23)","","2023-03-17","2023-03-24","N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["A1ADZ","(2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol","C10 H13 N O3","COc1ccccc1CC(N)C(=O)O;COc1ccccc1C[CH](N)C(O)=O;COc1ccccc1CC(C(=O)O)N","InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1","","2024-01-29","2024-10-02","2-methoxy-L-phenylalanine","2024-03-13"],["A1IEU","[(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid","C20 H24 Cl2 N3 O5 P","CC(C)C[CH](C(=O)N[CH](Cc1ccccn1)C(=O)Nc2ccc(Cl)c(Cl)c2)[P](O)(O)=O;CC(C)CC(C(=O)NC(Cc1ccccn1)C(=O)Nc2ccc(c(c2)Cl)Cl)P(=O)(O)O","InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18+/m0/s1","","2024-06-17","2025-06-20","[(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid","2025-06-25"],["XJ2","(2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol","C14 H22 N2 O","CNC[CH](O)CN1CCCc2ccccc2C1;CNCC(CN1CCCc2ccccc2C1)O","InChI=1S/C14H22N2O/c1-15-9-14(17)11-16-8-4-7-12-5-2-3-6-13(12)10-16/h2-3,5-6,14-15,17H,4,7-11H2,1H3/t14-/m1/s1","","2019-01-10","2019-12-20","(2~{R})-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol","2019-12-25"],["ZPM","cyclobutanecarboxylic acid","C5 H8 O2","O=C(O)C1CCC1;OC(=O)C1CCC1;C1CC(C1)C(=O)O","InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)","","2021-05-18","2022-01-14","cyclobutanecarboxylic acid","2022-01-19"],["A1BWT","(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid","C20 H29 N3 O6","O=C(O)CC(O)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCNC(C)=O;CC(=O)NCCCCCNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(O)=O;CC(=O)NCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)O","InChI=1S/C20H29N3O6/c1-14(24)21-10-6-3-7-11-22-19(28)16(12-15-8-4-2-5-9-15)23-20(29)17(25)13-18(26)27/h2,4-5,8-9,16-17,25H,3,6-7,10-13H2,1H3,(H,21,24)(H,22,28)(H,23,29)(H,26,27)/t16-,17+/m0/s1","","2025-02-14","2025-03-21","(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid","2025-03-26"],["A1AFE","11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione","C27 H23 N3 O3 S","O=C(c1cncc2cc[NH]c21)N1CC/C(CC1)=C1/c2ccccc2S(=O)(=O)Cc2ccccc12;O=C(N1CCC(CC1)=C2c3ccccc3C[S](=O)(=O)c4ccccc24)c5cncc6cc[nH]c56;c1ccc2c(c1)CS(=O)(=O)c3ccccc3C2=C4CCN(CC4)C(=O)c5cncc6c5[nH]cc6","InChI=1S/C27H23N3O3S/c31-27(23-16-28-15-19-9-12-29-26(19)23)30-13-10-18(11-14-30)25-21-6-2-1-5-20(21)17-34(32,33)24-8-4-3-7-22(24)25/h1-9,12,15-16,29H,10-11,13-14,17H2","NZ-804","2024-02-23","2024-11-15","11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione","2024-11-20"],["G2H","2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE","C3 H9 O6 P","O=P(O)(O)OC(CO)CO;OCC(CO)O[P](O)(O)=O;C(C(CO)OP(=O)(O)O)O","InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)","GLYCEROL-2-PHOSPHATE","2004-08-19","2021-03-01","2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate",""],["A1AEB","(2R)-1-(azetidin-1-yl)-3-(2-methoxy-5-{[4-methyl-6-(methylamino)pyrimidin-2-yl]amino}phenoxy)propan-2-ol","C19 H27 N5 O3","OC(COc1cc(Nc2nc(C)cc(NC)n2)ccc1OC)CN1CCC1;CNc1cc(C)nc(Nc2ccc(OC)c(OC[CH](O)CN3CCC3)c2)n1;Cc1cc(nc(n1)Nc2ccc(c(c2)OCC(CN3CCC3)O)OC)NC","InChI=1S/C19H27N5O3/c1-13-9-18(20-2)23-19(21-13)22-14-5-6-16(26-3)17(10-14)27-12-15(25)11-24-7-4-8-24/h5-6,9-10,15,25H,4,7-8,11-12H2,1-3H3,(H2,20,21,22,23)/t15-/m1/s1","","2024-02-06","2024-12-06","(2R)-1-(azetidin-1-yl)-3-(2-methoxy-5-{[4-methyl-6-(methylamino)pyrimidin-2-yl]amino}phenoxy)propan-2-ol","2024-12-11"],["A1BWU","1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one","C14 H18 Cl N O","O=C(CCl)N1CCC(Cc2ccccc2)CC1;ClCC(=O)N1CCC(CC1)Cc2ccccc2;c1ccc(cc1)CC2CCN(CC2)C(=O)CCl","InChI=1S/C14H18ClNO/c15-11-14(17)16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2","","2025-02-14","2026-02-13","1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one","2026-02-18"],["ZPN","(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide","C29 H39 N O6","O=C(/C=CC=CC)NC(O)C1OC(=O)C=CC=C(CC(=O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C;CC=CC=CC(=O)N[CH](O)[CH]1CC(=C[CH]2CC(=C)C[CH](CCCC(=O)CC(=CC=CC(=O)O1)C)O2)C;CC=CC=CC(=O)NC(C1CC(=CC2CC(=C)CC(O2)CCCC(=O)CC(=CC=CC(=O)O1)C)C)O","InChI=1S/C29H39NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-8,10,13-14,18,24-26,29,34H,3,9,11-12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1","(-)-ZAMPANOLIDE (Bound form)","2012-12-20","2024-09-27","(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide","2013-01-18"],["XJ3","N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine","C25 H34 N6 O2","CNCCNCc1cccc(c1)c2nc(NC3CCOCC3)c(C)c(n2)c4c(C)onc4C;Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C","InChI=1S/C25H34N6O2/c1-16-23(22-17(2)31-33-18(22)3)29-25(30-24(16)28-21-8-12-32-13-9-21)20-7-5-6-19(14-20)15-27-11-10-26-4/h5-7,14,21,26-27H,8-13,15H2,1-4H3,(H,28,29,30)","","2019-01-10","2021-11-19","~{N}'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-~{N}-methyl-ethane-1,2-diamine","2021-11-24"],["A1AFV","2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine","C12 H16 N2","CN(C)CCc1c[NH]c2ccccc21;CN(C)CCc1c[nH]c2ccccc12;CN(C)CCc1c[nH]c2c1cccc2","InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3","","2024-02-26","2025-03-28","2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine","2025-04-02"],["A1IEV","8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one","C26 H31 F3 N5 O2","C[CH]1CCCN(C1)Cc2cc(c3NN(C(=O)[n]3c2)c4cccc(c4)[C]5(C)CCNC(=O)C5)C(F)(F)F;CC1CCCN(C1)CC2=C[N]3=C(C(=C2)C(F)(F)F)NN(C3=O)c4cccc(c4)C5(CCNC(=O)C5)C","InChI=1S/C26H31F3N5O2/c1-17-5-4-10-32(14-17)15-18-11-21(26(27,28)29)23-31-34(24(36)33(23)16-18)20-7-3-6-19(12-20)25(2)8-9-30-22(35)13-25/h3,6-7,11-12,16-17,31H,4-5,8-10,13-15H2,1-2H3,(H,30,35)/t17-,25+/m0/s1","","2024-06-17","2024-07-26","8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one","2024-07-31"],["G2I","(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","C18 H33 N O13","O(C1C(O)CNCC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1CNC[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O;C1C(C(C(CN1)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)CO","InChI=1S/C18H33NO13/c20-3-6-1-19-2-7(23)15(6)31-18-14(28)12(26)16(9(5-22)30-18)32-17-13(27)11(25)10(24)8(4-21)29-17/h6-28H,1-5H2/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18+/m1/s1","Cellotriose-like isofagomine; Cellobiosyl isofagomine","2008-04-24","2020-05-27","(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside",""],["XJ4","N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine","C26 H30 N6 O","CNCCNCc1cccc(c1)c2nc(Nc3ccccc3)c(C)c(n2)c4c(C)onc4C;Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C","InChI=1S/C26H30N6O/c1-17-24(23-18(2)32-33-19(23)3)30-26(31-25(17)29-22-11-6-5-7-12-22)21-10-8-9-20(15-21)16-28-14-13-27-4/h5-12,15,27-28H,13-14,16H2,1-4H3,(H,29,30,31)","","2019-01-10","2021-11-19","~{N}'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-~{N}-methyl-ethane-1,2-diamine","2021-11-24"],["A1BYA","N-(2-amino-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide","C11 H10 F N3 O2","Cc1cc(no1)C(=O)Nc1cccc(F)c1N;Cc1onc(c1)C(=O)Nc2cccc(F)c2N;Cc1cc(no1)C(=O)Nc2cccc(c2N)F","InChI=1S/C11H10FN3O2/c1-6-5-9(15-17-6)11(16)14-8-4-2-3-7(12)10(8)13/h2-5H,13H2,1H3,(H,14,16)","","2025-02-26","2026-02-27","N-(2-amino-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide","2026-03-04"],["ZPO","pyrazolidine-1-carboxylic acid","C4 H8 N2 O2","N1CCCN1C(O)=O;OC(=O)N1CCCN1;C1CNN(C1)C(=O)O","InChI=1S/C4H8N2O2/c7-4(8)6-3-1-2-5-6/h5H,1-3H2,(H,7,8)","","2018-08-22","2024-09-27","pyrazolidine-1-carboxylic acid","2019-07-03"],["A1AFY","(R)-mevaldehyde","C6 H10 O4","CC(O)(CC=O)CC(O)=O;C[C](O)(CC=O)CC(O)=O;CC(CC=O)(CC(=O)O)O","InChI=1S/C6H10O4/c1-6(10,2-3-7)4-5(8)9/h3,10H,2,4H2,1H3,(H,8,9)/t6-/m1/s1","(3R)-3-hydroxy-3-methyl-5-oxopentanoic acid","2024-02-26","2024-03-15","(3R)-3-hydroxy-3-methyl-5-oxopentanoic acid","2024-03-20"],["G2J","N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide","C25 H27 N3 O2","O=C(N(CC1CC1)Cc4cccc(c3cn2CCCc2n3)c4)c5cccc(c5)OC;COc1cccc(c1)C(=O)N(CC2CC2)Cc3cccc(c3)c4cn5CCCc5n4;COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5","InChI=1S/C25H27N3O2/c1-30-22-8-3-7-21(14-22)25(29)28(15-18-10-11-18)16-19-5-2-6-20(13-19)23-17-27-12-4-9-24(27)26-23/h2-3,5-8,13-14,17-18H,4,9-12,15-16H2,1H3","","2018-05-02","2018-08-31","N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide","2018-09-05"],["A1IFB","4-[[4-fluoranyl-3-[[(5~{S})-5-methyl-3-(1,3-thiazol-2-yl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","C25 H20 F N7 O2 S","C[CH]1CN(Cc2nnc(n12)c3sccn3)C(=O)c4cc(CC5=NNC(=O)c6ccccc56)ccc4F;CC1CN(Cc2n1c(nn2)c3nccs3)C(=O)c4cc(ccc4F)CC5=NNC(=O)c6c5cccc6","InChI=1S/C25H20FN7O2S/c1-14-12-32(13-21-29-30-22(33(14)21)24-27-8-9-36-24)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)31-28-20/h2-10,14H,11-13H2,1H3,(H,31,34)/t14-/m0/s1","","2024-06-20","2026-01-09","4-[[4-fluoranyl-3-[[(5~{S})-5-methyl-3-(1,3-thiazol-2-yl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","2026-01-14"],["ZPQ","N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE","C30 H54 N6 O8 S","O=C(OCn1nc(cc1C)C)NC(C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)CS(=O)(=O)C;CC(C)CNC(=O)[CH](NC(=O)[CH](C)C[CH](O)[CH](CC(C)C)NC(=O)[CH](C[S](C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C;Cc1cc(n(n1)COC(=O)NC(CS(=O)(=O)C)C(=O)NC(CC(C)C)C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)C)O)C","InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1","","2006-03-06","2011-06-04","N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide",""],["A1BYO","Limertinib. bound form","C29 H34 Cl N7 O2","CN(C)CCN(C)c1cc(OC)c(Nc2nc(Nc3cc4ccccc4cc3)c(Cl)cn2)cc1NC(=O)CC;CCC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccc4ccccc4c3)n2)c(OC)cc1N(C)CCN(C)C;CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)Nc3ccc4ccccc4c3)Cl","InChI=1S/C29H34ClN7O2/c1-6-27(38)33-23-16-24(26(39-5)17-25(23)37(4)14-13-36(2)3)34-29-31-18-22(30)28(35-29)32-21-12-11-19-9-7-8-10-20(19)15-21/h7-12,15-18H,6,13-14H2,1-5H3,(H,33,38)(H2,31,32,34,35)","","2025-02-27","2025-10-03","N-[5-({5-chloro-4-[(naphthalen-2-yl)amino]pyrimidin-2-yl}amino)-2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxyphenyl]propanamide","2025-10-08"],["XJ5","[(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone","C25 H36 N2 O","CC1(C)CN(CCC1N)C(=O)C12CC3CC(CC(C)(C3)C1)(C2)c1ccccc1;CC1(C)CN(CC[CH]1N)C(=O)[C]23C[CH]4C[C](C)(C2)C[C](C4)(C3)c5ccccc5;CC1(CN(CCC1N)C(=O)C23CC4CC(C2)(CC(C4)(C3)c5ccccc5)C)C","InChI=1S/C25H36N2O/c1-22(2)17-27(10-9-20(22)26)21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20H,9-17,26H2,1-3H3/t18-,20-,23+,24+,25-/m0/s1","","2022-11-22","2023-11-24","[(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone","2023-11-29"],["A1AGB","(1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H37 F N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1cc(F)ccc1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2cccc(F)c2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2Cc3cccc(c3)F","InChI=1S/C26H37FN4O9S/c1-15(2)10-20(24(34)29-21(25(35)41(37,38)39)12-17-8-9-28-23(17)33)30-26(36)40-14-19-6-7-22(32)31(19)13-16-4-3-5-18(27)11-16/h3-5,11,15,17,19-21,25,35H,6-10,12-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t17-,19-,20-,21-,25+/m0/s1","","2024-02-29","2024-09-27","(1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["G2K","2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide","C25 H25 Cl N4 O5","C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)COc3ccccc3Cl)C(=O)NCCc4ccccc4;c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)COc4ccccc4Cl)O","InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1","SRI-29843","2017-07-11","2021-03-01","2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide","2018-01-03"],["A1IFR","5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole","C13 H16 N2","C[CH](c1[nH]cnc1)c2cccc(C)c2C;Cc1cccc(c1C)C(C)c2cnc[nH]2","InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1","(R)-4-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole; Medetomidine","2024-06-25","2025-06-13","5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole","2025-06-18"],["ZPR","N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL","C18 H22 N2 O4","O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3;O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O","InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1","Z-PRO-PROLINAL","1999-07-08","2024-09-27","benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate",""],["G2L","3'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE","C13 H20 N5 O9 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(OCCOC)C3O)COP(=O)(O)O;COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N;COCCOC1C(OC(C1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O","InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-6(4-26-28(21,22)23)27-12(8(9)19)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1","","2004-10-29","2011-06-04","3'-O-(2-methoxyethyl)guanosine 5'-(dihydrogen phosphate)",""],["A1IFV","[(6~{R})-6-[(8~{S},9~{R},10~{R},13~{R},14~{R},17~{S})-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-2-yl] dihydrogen phosphate","C27 H43 O5 P","C[CH](CCCC(C)(C)O[P](O)(O)=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)(C)OP(=O)(O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C","InChI=1S/C27H43O5P/c1-18(7-6-14-25(2,3)32-33(29,30)31)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h12,15,17-18,21-24H,6-11,13-14,16H2,1-5H3,(H2,29,30,31)/t18-,21+,22+,23-,24-,26+,27-/m1/s1","","2024-06-26","2026-01-09","[(6~{R})-6-[(8~{S},9~{R},10~{R},13~{R},14~{R},17~{S})-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-2-yl] dihydrogen phosphate","2026-01-14"],["A1AGE","(1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H38 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1ccccc1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2Cc3ccccc3","InChI=1S/C26H38N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h3-7,16,18-21,25,34H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19-,20-,21-,25+/m0/s1","","2024-02-29","2024-09-27","(1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["XJ6","(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone","C19 H19 Cl N4 O2","O=C(N1CCC21COC2)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1;Clc1ccc2C[CH](Cc2c1)Nc3ncc(cn3)C(=O)N4CCC45COC5;c1cc2c(cc1Cl)CC(C2)Nc3ncc(cn3)C(=O)N4CCC45COC5","InChI=1S/C19H19ClN4O2/c20-15-2-1-12-6-16(7-13(12)5-15)23-18-21-8-14(9-22-18)17(25)24-4-3-19(24)10-26-11-19/h1-2,5,8-9,16H,3-4,6-7,10-11H2,(H,21,22,23)/t16-/m0/s1","","2023-06-07","2024-12-13","(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone","2024-12-18"],["A1BZF","N-{3-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenyl}-N'-[(3R)-oxolan-3-yl]sulfuric diamide","C30 H37 N3 O4 S","O=S(=O)(NC1CCOC1)Nc1cc(ccc1)C(/CC)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1;CCC(c1cccc(N[S](=O)(=O)N[CH]2CCOC2)c1)=C(c3ccccc3)c4ccc(OCCN(C)C)cc4;CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3cccc(c3)NS(=O)(=O)NC4CCOC4","InChI=1S/C30H37N3O4S/c1-4-29(25-11-8-12-26(21-25)31-38(34,35)32-27-17-19-36-22-27)30(23-9-6-5-7-10-23)24-13-15-28(16-14-24)37-20-18-33(2)3/h5-16,21,27,31-32H,4,17-20,22H2,1-3H3/b30-29-/t27-/m1/s1","","2025-03-06","2025-07-25","N-{3-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenyl}-N'-[(3R)-oxolan-3-yl]sulfuric diamide","2025-07-30"],["ZPS","cyclobutane-1,1-dicarboxylic acid","C6 H8 O4","O=C(O)C1(CCC1)C(O)=O;OC(=O)C1(CCC1)C(O)=O;C1CC(C1)(C(=O)O)C(=O)O","InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)","","2021-05-18","2022-01-14","cyclobutane-1,1-dicarboxylic acid","2022-01-19"],["A1AHY","(1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C31 H33 N O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1;COc1ccc(cc1)N(C2CCCCC2)[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6;COc1ccc(cc1)N(C2CCCCC2)S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m1/s1","","2024-03-11","2024-06-07","(1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2024-06-12"],["G2M","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine","C13 H22 N5 O12 P3","O=P(O)(O)C(C)(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;CC(C)([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N;CC(C)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O","InChI=1S/C13H22N5O12P3/c1-13(2,31(21,22)23)32(24,25)30-33(26,27)28-4-7-6(19)3-8(29-7)18-5-15-9-10(18)16-12(14)17-11(9)20/h5-8,19H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t6-,7+,8+/m0/s1","","2009-09-14","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(2-phosphonopropan-2-yl)phosphoryl]oxy}phosphoryl]guanosine",""],["A1IGA","Lansoprazole sulfide","C16 H14 F3 N3 O S","Cc1c(CSc2[nH]c3ccccc3n2)nccc1OCC(F)(F)F;Cc1c(ccnc1CSc2[nH]c3ccccc3n2)OCC(F)(F)F","InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)","2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole","2024-06-27","2024-11-15","2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1~{H}-benzimidazole","2024-11-20"],["A1AER","6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole","C11 H8 F N5","Fc1cc2[NH]cc(/C=C/c3nnn[NH]3)c2cc1;Fc1ccc2c([nH]cc2C=Cc3[nH]nnn3)c1;c1cc2c(cc1F)[nH]cc2C=Cc3[nH]nnn3","InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)","","2024-02-13","2024-08-23","6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole","2024-08-28"],["XJ7","(2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate","C26 H49 O13 P","CCCC(=O)OCC(COP(OC1C(C(C(C(O)C1O)O)O)O)(O)=O)OC(CCCCCCCCCCCC)=O;CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C26H49O13P/c1-3-5-6-7-8-9-10-11-12-13-15-20(28)38-18(16-36-19(27)14-4-2)17-37-40(34,35)39-26-24(32)22(30)21(29)23(31)25(26)33/h18,21-26,29-33H,3-17H2,1-2H3,(H,34,35)/t18-,21-,22+,23-,24-,25+,26+/m0/s1","","2020-12-17","2021-09-17","(2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate","2021-09-22"],["A1BZR","5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)-N-hydroxybenzo[c][2,6]naphthyridine-8-carboxamide","C32 H33 Cl N6 O2","ONC(=O)c1cc2nc(NCCNCCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1;ONC(=O)c1ccc2c(c1)nc(NCCNCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)NO","InChI=1S/C32H33ClN6O2/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-14-5-4-13-34-16-17-37-31-27-12-15-36-21-28(27)26-11-9-24(32(40)39-41)19-30(26)38-31/h1-3,6-12,15,18-19,21,34-35,41H,4-5,13-14,16-17,20H2,(H,37,38)(H,39,40)","","2025-03-12","2026-01-09","5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)-N-hydroxybenzo[c][2,6]naphthyridine-8-carboxamide","2026-01-14"],["XJ8","N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide","C29 H25 N5 O4","O=C(NCc2c1ccc(nc1ccc2)N)C(NC(=O)c4ccc3c(C(O)=CC(=O)N3)c4)Cc5ccccc5;Nc1ccc2c(CNC(=O)[CH](Cc3ccccc3)NC(=O)c4ccc5NC(=O)C=C(O)c5c4)cccc2n1;c1ccc(cc1)CC(C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O","InChI=1S/C29H25N5O4/c30-26-12-10-20-19(7-4-8-22(20)32-26)16-31-29(38)24(13-17-5-2-1-3-6-17)34-28(37)18-9-11-23-21(14-18)25(35)15-27(36)33-23/h1-12,14-15,24H,13,16H2,(H2,30,32)(H,31,38)(H,34,37)(H2,33,35,36)/t24-/m0/s1","","2014-02-26","2015-02-06","N-[(2S)-1-{[(2-aminoquinolin-5-yl)methyl]amino}-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","2015-02-11"],["G2N","ethyl [(2R)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate","C17 H19 N5 O2","O=C(OCC)Nc2nc(c3N=C(c1ccccc1)C(Nc3c2)C)N;CCOC(=O)Nc1cc2N[CH](C)C(=Nc2c(N)n1)c3ccccc3;CCOC(=O)Nc1cc2c(c(n1)N)N=C(C(N2)C)c3ccccc3","InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m1/s1","","2010-05-25","2011-06-04","ethyl [(2R)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate",""],["ZPT","Trichloro(ethene)platinate(II)","C2 H4 Cl3 Pt","[Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1;[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]","InChI=1S/C2H4.3ClH.Pt/c1-2;;;;/h1-2H2;3*1H;/q;;;;+2/p-3","Zeise's salt","2016-07-13","2020-06-17","","2016-09-21"],["A1IGB","amide modified swainsonine-configured alkyl indolizidine","C14 H27 N2 O4","CCCCCNC(=O)[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCC[NH+]12;CCCCCNC(=O)C1C(C(C2[NH+]1CCCC2O)O)O","InChI=1S/C14H26N2O4/c1-2-3-4-7-15-14(20)11-13(19)12(18)10-9(17)6-5-8-16(10)11/h9-13,17-19H,2-8H2,1H3,(H,15,20)/p+1/t9-,10-,11+,12+,13-/m1/s1","(1S,2R,3S,8R,8aR)-1,2,8-tris(oxidanyl)-N-pentyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-3-carboxamide","2024-06-27","2024-10-04","(1~{S},2~{R},3~{S},8~{R},8~{a}~{R})-1,2,8-tris(oxidanyl)-~{N}-pentyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-indolizin-4-ium-3-carboxamide","2024-10-09"],["A1CAE","(1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate","C22 H28 N4 O5 S","O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC2(C)CC2)C1)Cc1ccc(cc1)S(C)(=O)=O;CC1(CC1)NC(=O)O[CH]2CC[CH](C2)c3[nH]nc(NC(=O)Cc4ccc(cc4)[S](C)(=O)=O)c3;CC1(CC1)NC(=O)OC2CCC(C2)c3cc(n[nH]3)NC(=O)Cc4ccc(cc4)S(=O)(=O)C","InChI=1S/C22H28N4O5S/c1-22(9-10-22)24-21(28)31-16-6-5-15(12-16)18-13-19(26-25-18)23-20(27)11-14-3-7-17(8-4-14)32(2,29)30/h3-4,7-8,13,15-16H,5-6,9-12H2,1-2H3,(H,24,28)(H2,23,25,26,27)/t15-,16-/m1/s1","","2025-04-22","2025-04-25","(1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate","2025-04-30"],["A1AIO","beta-L-glucofuranose","C6 H12 O6","OC1C(OC(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5-,6-/m0/s1","","2024-03-21","2024-04-05","beta-L-glucofuranose","2024-04-10"],["A1AEU","1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one","C20 H25 F3 N2 O2","FC(F)(F)c1cc2C(=O)C3(CCN(CC3)CC3CCOCC3)N(C)c2cc1;CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F;CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F","InChI=1S/C20H25F3N2O2/c1-24-17-3-2-15(20(21,22)23)12-16(17)18(26)19(24)6-8-25(9-7-19)13-14-4-10-27-11-5-14/h2-3,12,14H,4-11,13H2,1H3","","2024-02-15","2024-06-14","1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one","2024-06-19"],["A1AIU","1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one","C15 H12 N4 O","O=C(Cc1n[NH]nn1)c1ccc(cc1)c1ccccc1;O=C(Cc1n[nH]nn1)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)C(=O)Cc3n[nH]nn3","InChI=1S/C15H12N4O/c20-14(10-15-16-18-19-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18,19)","","2024-03-25","2025-08-22","1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one","2025-08-27"],["A1AEV","1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione","C21 H26 F3 N3 O3","FC(F)(F)c1ccc(cc1)N1C(=O)C2(CCN(CC2)CC2CCOCC2)N(C)C1=O;CN1C(=O)N(C(=O)C12CCN(CC2)CC3CCOCC3)c4ccc(cc4)C(F)(F)F;CN1C(=O)N(C(=O)C12CCN(CC2)CC3CCOCC3)c4ccc(cc4)C(F)(F)F","InChI=1S/C21H26F3N3O3/c1-25-19(29)27(17-4-2-16(3-5-17)21(22,23)24)18(28)20(25)8-10-26(11-9-20)14-15-6-12-30-13-7-15/h2-5,15H,6-14H2,1H3","","2024-02-15","2024-06-14","1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione","2024-06-19"],["ZPU","4-propan-2-yl-~{N}-pyridin-2-yl-benzamide","C15 H16 N2 O","CC(C)c1ccc(cc1)C(=O)Nc2ccccn2;CC(C)c1ccc(cc1)C(=O)Nc2ccccn2","InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18)","","2023-06-29","2024-01-26","4-propan-2-yl-~{N}-pyridin-2-yl-benzamide","2024-01-31"],["A1IGF","1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole","C17 H15 Br N2","Cc1ccc(cc1)c2nccn2c3ccc(C)c(Br)c3;Cc1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C","InChI=1S/C17H15BrN2/c1-12-3-6-14(7-4-12)17-19-9-10-20(17)15-8-5-13(2)16(18)11-15/h3-11H,1-2H3","","2024-06-28","2025-07-04","1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole","2025-07-09"],["XJ9","1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone","C17 H16 Cl2 N2 O","Cc1cncc(CC(=O)N2CCc3cc(Cl)c(Cl)cc3C2)c1;Cc1cc(cnc1)CC(=O)N2CCc3cc(c(cc3C2)Cl)Cl","InChI=1S/C17H16Cl2N2O/c1-11-4-12(9-20-8-11)5-17(22)21-3-2-13-6-15(18)16(19)7-14(13)10-21/h4,6-9H,2-3,5,10H2,1H3","","2023-11-02","2024-02-02","1-[6,7-bis(chloranyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone","2024-02-07"],["G2O","Chlorophyll A ester","C55 H70 Mg N4 O5","CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c47)[CH](CCC(=O)OCC=C(C)CC=C[CH](C)CCC[CH](C)CCCC(C)C)[CH]6C)C(=C(C=C)C5=C2)C;CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6C(C5=O)C(=O)OC)C(C9C)CCC(=O)OCC=C(C)CC=CC(C)CCCC(C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C","InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,17,22,26,28-33,37,41,51H,1,14-16,18-21,23-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b22-17+,34-26-;/t32-,33-,37+,41+,51-;/m1./s1","","2020-07-09","2020-11-20","","2020-11-25"],["A1CAR","(4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[(1s,3R)-3-(trifluoromethyl)cyclobutyl]imidazolidin-2-one","C18 H17 F3 N4 O","FC(F)(F)C1CC(C1)N1CC(C=N)N(C1=O)c1cncc2ccccc21;FC(F)(F)[CH]1C[CH](C1)N2C[CH](C=N)N(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3C(CN(C3=O)C4CC(C4)C(F)(F)F)C=N","InChI=1S/C18H17F3N4O/c19-18(20,21)12-5-13(6-12)24-10-14(7-22)25(17(24)26)16-9-23-8-11-3-1-2-4-15(11)16/h1-4,7-9,12-14,22H,5-6,10H2/b22-7+/t12-,13+,14-/m0/s1","NVP-BQO801, bound form","2025-04-25","2026-02-27","(4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[(1s,3R)-3-(trifluoromethyl)cyclobutyl]imidazolidin-2-one","2026-03-04"],["A1AEY","(6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole","C18 H18 N6","c1cc(cc2c1nnn2CN1CCNC1)c1c[NH]c2ccccc21;C1CN(CN1)Cn2nnc3ccc(cc23)c4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n(nn4)CN5CCNC5","InChI=1S/C18H18N6/c1-2-4-16-14(3-1)15(10-20-16)13-5-6-17-18(9-13)24(22-21-17)12-23-8-7-19-11-23/h1-6,9-10,19-20H,7-8,11-12H2","","2024-02-16","2024-08-16","(6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole","2024-08-21"],["A1IGQ","(4R)-4-phenyl-1,2-thiazolidine 1,1-dioxide","C9 H11 N O2 S","O=[S]1(=O)C[CH](CN1)c2ccccc2;c1ccc(cc1)C2CNS(=O)(=O)C2","InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-/m0/s1","","2024-07-01","2025-07-04","(4~{R})-4-phenyl-1,2-thiazolidine 1,1-dioxide","2025-07-09"],["A1CAY","2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronic acid","C10 H16 N2 O7","OC1OC(C(O)C(NC(C)=O)C1NC(C)=O)C(=O)O;CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(OC(C1O)C(=O)O)O)NC(=O)C","InChI=1S/C10H16N2O7/c1-3(13)11-5-6(12-4(2)14)10(18)19-8(7(5)15)9(16)17/h5-8,10,15,18H,1-2H3,(H,11,13)(H,12,14)(H,16,17)/t5-,6+,7+,8+,10-/m1/s1","","2025-04-29","2025-12-12","2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronic acid","2025-12-17"],["G2P","PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER","C11 H18 N5 O13 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","2004-08-06","2011-06-04","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine",""],["XJA","(2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate","C26 H49 O13 P","CCCC(OCC(COP(OC1C(C(C(O)C(C1O)O)O)O)(O)=O)OC(=O)CCCCCCCCCCCC)=O;CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C26H49O13P/c1-3-5-6-7-8-9-10-11-12-13-15-20(28)38-18(16-36-19(27)14-4-2)17-37-40(34,35)39-26-24(32)22(30)21(29)23(31)25(26)33/h18,21-26,29-33H,3-17H2,1-2H3,(H,34,35)/t18-,21-,22+,23+,24+,25-,26+/m0/s1","","2020-12-17","2021-09-17","(2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate","2021-09-22"],["ZPV","N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine","C20 H21 F N2 O5 S","O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC(CC1)c1ccccc1;OC(=O)CNC(=O)c1ccc(cc1F)[S](=O)(=O)N2CCC(CC2)c3ccccc3;c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O","InChI=1S/C20H21FN2O5S/c21-18-12-16(6-7-17(18)20(26)22-13-19(24)25)29(27,28)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,24,25)","","2021-05-18","2021-06-04","N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine","2021-06-09"],["A1AJF","4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","C12 H13 N7","C1CC(CN1c1ncnc2[NH]ccc21)n1cncn1;C1CN(C[CH]1n2cncn2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCC(C3)n4cncn4","InChI=1S/C12H13N7/c1-3-14-11-10(1)12(16-7-15-11)18-4-2-9(5-18)19-8-13-6-17-19/h1,3,6-9H,2,4-5H2,(H,14,15,16)/t9-/m0/s1","","2024-04-03","2024-05-10","4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","2024-05-15"],["A1IGR","1H-indole-3-carboxamide","C9 H8 N2 O","NC(=O)c1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C(=O)N","InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)","","2024-07-01","2025-07-04","1~{H}-indole-3-carboxamide","2025-07-09"],["A1AJU","4-ethenyl-1H-imidazole","C5 H6 N2","C=Cc1c[NH]cn1;C=Cc1c[nH]cn1;C=Cc1c[nH]cn1","InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)","","2024-04-03","2024-05-03","4-ethenyl-1H-imidazole","2024-05-08"],["A1CBA","methyl cholate","C25 H42 O5","O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C21C;COC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1","","2025-05-05","2026-03-06","methyl (10xi,13xi)-3alpha,7alpha,12alpha-trihydroxy-5beta,8alpha,14beta,17alpha-cholan-24-oate","2026-03-11"],["XJB","3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid","C23 H26 N4 O5","Nc1nc(c2ccc(OC)cc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;COc1ccc(cc1)c2nc(N)nc(N)c2OCCCOc3ccccc3CCC(O)=O;COc1ccc(cc1)c2c(c(nc(n2)N)N)OCCCOc3ccccc3CCC(=O)O","InChI=1S/C23H26N4O5/c1-30-17-10-7-16(8-11-17)20-21(22(24)27-23(25)26-20)32-14-4-13-31-18-6-3-2-5-15(18)9-12-19(28)29/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,28,29)(H4,24,25,26,27)","","2022-11-22","2023-12-08","3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid","2023-12-13"],["G2Q","GUANOSINE DIPHOSPHATE RIBOSE","C15 H23 N5 O14 P2","O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n2cnc3c2NC(=NC3=O)N)C(O)C4O;NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O)O)O)O)NC(=NC2=O)N","InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10+,11+,14+/m0/s1","","2011-08-24","2011-11-25","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["ZPX","N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide","C31 H34 F N5 O5 S","Fc1ccc(cc1)C(NC(=O)c2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn3nccc3)Cc4ccccc4)C;C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)Cn3cccn3)N(C)[S](C)(=O)=O)c4ccc(F)cc4;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(Cn4cccn4)O","InChI=1S/C31H34FN5O5S/c1-21(23-10-12-26(32)13-11-23)34-30(39)24-17-25(19-27(18-24)36(2)43(3,41)42)31(40)35-28(16-22-8-5-4-6-9-22)29(38)20-37-15-7-14-33-37/h4-15,17-19,21,28-29,38H,16,20H2,1-3H3,(H,34,39)(H,35,40)/t21-,28+,29+/m1/s1","","2011-12-08","2012-11-16","N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide","2012-11-16"],["A1AEZ","1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name)","C61 H84 F N7 O16","O=C(O)C1=CN(C2CC2)c2cc(NCCCCNCCC(=O)OC3C(C)C(=O)OC(CC)C4(C)OC(=O)OC4C(C)C(=NOCC#Cc4cc(cnc4)C(=O)NC)C(C)CC(C)(OC)C(OC4OC(C)CC(N(C)C)C4O)C3C)c(F)cc2C1=O;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)CCNCCCCNc2cc3N(C=C(C(O)=O)C(=O)c3cc2F)C4CC4)[CH](C)[CH](O[CH]5O[CH](C)C[CH]([CH]5O)N(C)C)[C](C)(C[CH](C)C(=NOCC#Cc6cncc(c6)C(=O)NC)[CH](C)[CH]7OC(=O)O[C]17C)OC;CCC1C2(C(C(C(=NOCC#Cc3cc(cnc3)C(=O)NC)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CCNCCCCNc4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)C)OC7C(C(CC(O7)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C","InChI=1S/C61H84FN7O16/c1-13-47-61(8)54(84-59(77)85-61)35(4)49(67-79-24-16-17-38-26-39(31-65-30-38)55(73)63-9)33(2)29-60(7,78-12)53(83-58-51(72)46(68(10)11)25-34(3)80-58)36(5)52(37(6)57(76)81-47)82-48(70)20-23-64-21-14-15-22-66-44-28-45-41(27-43(44)62)50(71)42(56(74)75)32-69(45)40-18-19-40/h26-28,30-37,40,46-47,51-54,58,64,66,72H,13-15,18-25,29H2,1-12H3,(H,63,73)(H,74,75)/b67-49+/t33-,34-,35+,36+,37-,46+,47-,51-,52+,53-,54-,58+,60-,61-/m1/s1","macrolone MCX-66","2024-02-16","2024-08-02","1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name)","2024-08-07"],["A1CBB","propan-2-yl 3-(3-phenyl-1H-1,2,4-triazol-1-yl)propanoate","C14 H17 N3 O2","CC(C)OC(=O)CCn1cnc(n1)c1ccccc1;CC(C)OC(=O)CCn1cnc(n1)c2ccccc2;CC(C)OC(=O)CCn1cnc(n1)c2ccccc2","InChI=1S/C14H17N3O2/c1-11(2)19-13(18)8-9-17-10-15-14(16-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3","","2025-05-05","2025-11-21","propan-2-yl 3-(3-phenyl-1H-1,2,4-triazol-1-yl)propanoate","2025-11-26"],["G2R","[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C15 H23 N5 O14 P2","O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O)O)O)O)N=C(NC2=O)N","InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1","GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE","2006-08-30","2021-03-01","[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["XJC","4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}benzene-1-sulfonamide","C26 H31 Cl N4 O4 S","NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2[NH]nc(OCc3cc(C)c(Cl)cc3C(C)(C)C)c2CC1;Cc1cc(COc2n[nH]c3CCN(CCc23)C(=O)c4ccc(cc4)[S](N)(=O)=O)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)COc2c3c([nH]n2)CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N","InChI=1S/C26H31ClN4O4S/c1-16-13-18(21(14-22(16)27)26(2,3)4)15-35-24-20-9-11-31(12-10-23(20)29-30-24)25(32)17-5-7-19(8-6-17)36(28,33)34/h5-8,13-14H,9-12,15H2,1-4H3,(H,29,30)(H2,28,33,34)","","2023-06-07","2024-12-13","4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}benzene-1-sulfonamide","2024-12-18"],["A1AKE","(2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid","C17 H14 N4 O4","O=C(O)C(NC(=O)c1ncnc2[NH]ccc21)c1cc2CCOc2cc1;OC(=O)[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc4OCCc4c3;c1cc2c(cc1C(C(=O)O)NC(=O)c3c4cc[nH]c4ncn3)CCO2","InChI=1S/C17H14N4O4/c22-16(14-11-3-5-18-15(11)20-8-19-14)21-13(17(23)24)10-1-2-12-9(7-10)4-6-25-12/h1-3,5,7-8,13H,4,6H2,(H,21,22)(H,23,24)(H,18,19,20)","","2024-04-03","2024-05-10","(2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid","2024-05-15"],["A1AFA","N-(2,4-dichlorobenzoyl)-L-phenylalanine","C16 H13 Cl2 N O3","O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1Cl;OC(=O)[CH](Cc1ccccc1)NC(=O)c2ccc(Cl)cc2Cl;c1ccc(cc1)CC(C(=O)O)NC(=O)c2ccc(cc2Cl)Cl","InChI=1S/C16H13Cl2NO3/c17-11-6-7-12(13(18)9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,19,20)(H,21,22)/t14-/m0/s1","","2024-02-22","2024-12-27","N-(2,4-dichlorobenzoyl)-L-phenylalanine","2025-01-01"],["A1IGS","(4R)-4-pyridin-4-ylpyrrolidin-2-one","C9 H10 N2 O","O=C1C[CH](CN1)c2ccncc2;c1cnccc1C2CC(=O)NC2","InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)","","2024-07-01","2025-08-15","(4~{R})-4-pyridin-4-ylpyrrolidin-2-one","2025-08-20"],["ZPY","ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate","C34 H38 F N5 O7 S","Fc1ccc(cc1)C(NC(=O)c2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn3ncc(C(=O)OCC)c3)Cc4ccccc4)C;CCOC(=O)c1cnn(C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O)N[CH](C)c4ccc(F)cc4)N(C)[S](C)(=O)=O)c1;CCOC(=O)c1cnn(c1)CC(C(Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccc(cc4)F)O","InChI=1S/C34H38FN5O7S/c1-5-47-34(44)27-19-36-40(20-27)21-31(41)30(15-23-9-7-6-8-10-23)38-33(43)26-16-25(17-29(18-26)39(3)48(4,45)46)32(42)37-22(2)24-11-13-28(35)14-12-24/h6-14,16-20,22,30-31,41H,5,15,21H2,1-4H3,(H,37,42)(H,38,43)/t22-,30+,31+/m1/s1","","2011-12-08","2012-11-16","ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate","2012-11-16"],["ZPZ","N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide","C32 H37 F N6 O6 S","Fc1ccc(cc1)C(NC(=O)c2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn3nnc(c3)C(O)C)Cc4ccccc4)C;C[CH](O)c1cn(C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O)N[CH](C)c4ccc(F)cc4)N(C)[S](C)(=O)=O)nn1;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(Cn4cc(nn4)C(C)O)O","InChI=1S/C32H37FN6O6S/c1-20(23-10-12-26(33)13-11-23)34-31(42)24-15-25(17-27(16-24)38(3)46(4,44)45)32(43)35-28(14-22-8-6-5-7-9-22)30(41)19-39-18-29(21(2)40)36-37-39/h5-13,15-18,20-21,28,30,40-41H,14,19H2,1-4H3,(H,34,42)(H,35,43)/t20-,21+,28+,30+/m1/s1","","2011-12-08","2012-11-16","N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide","2012-11-16"],["G2S","GUANOSINE-5'-DITHIOPHOSPHORATE","C10 H14 N5 O5 P S2","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=S)(O)S;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(S)=S)O3;c1nc2c(n1C3CC(C(O3)COP(=S)(O)S)O)N=C(NC2=O)N","InChI=1S/C10H14N5O5PS2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2001-11-02","2011-06-04","2'-deoxy-5'-O-[(dithiophosphono)]guanosine",""],["A1AKQ","(3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid","C17 H14 Br N3 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1cc2cc[NH]c2nc1;OC(=O)C[CH](NC(=O)c1cnc2[nH]ccc2c1)c3ccc(Br)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2cc3cc[nH]c3nc2)Br","InChI=1S/C17H14BrN3O3/c18-13-3-1-10(2-4-13)14(8-15(22)23)21-17(24)12-7-11-5-6-19-16(11)20-9-12/h1-7,9,14H,8H2,(H,19,20)(H,21,24)(H,22,23)/t14-/m1/s1","","2024-04-04","2024-05-10","(3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid","2024-05-15"],["XJD","(10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate","C25 H50 N O8 P","C(OP(OCC(COC(=O)CCCCCC)OC(CCCCCCCCCCCC)=O)(=O)O)CN;CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)OCCN","InChI=1S/C25H50NO8P/c1-3-5-7-9-10-11-12-13-14-16-18-25(28)34-23(22-33-35(29,30)32-20-19-26)21-31-24(27)17-15-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/t23-/m1/s1","","2020-12-17","2021-09-17","(10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate","2021-09-22"],["A1IHQ","carborane inhibitor","C17 H17 B10 Cl N3 O2 S","Clc1cccc(C[CH](NC(=O)CS[B]2345[B]678[B]9%10%11[B]6%12%13[B]27%14[B]%12%15%16[B]3%14%17[B]4%18%19[B]589[B]%10%18%20[C+]%11%13%15[C+]%16%17%19%20)C(=O)NC%21(CC%21)C=N)c1;B1234B567B189B212B33%10B454(B656B433B%1011[C+]282B795[C+]6312)SCC(=O)NC(Cc1cccc(c1)Cl)C(=O)NC1(CC1)C=N","InChI=1S/C17H17B10ClN3O2S/c28-11-3-1-2-10(6-11)7-12(14(33)31-15(9-29)4-5-15)30-13(32)8-34-27-22-17-16-18(17,22)20(16)21(16)19(16,17)23(17,22,27)25(19,21,27)26(20,21,27)24(18,20,22)27/h1-3,6,9,12,29H,4-5,7-8H2,(H,30,32)(H,31,33)/q+2/b29-9+/t12-/m0/s1","carborane inhibitor","2024-07-09","2025-10-24","","2025-10-29"],["A1CBD","3-(3-{3-[(but-2-yn-1-yl)oxy]-5-(trifluoromethyl)phenyl}-1H-1,2,4-triazol-1-yl)-N-(piperidin-1-yl)propanamide","C21 H24 F3 N5 O2","O=C(NN1CCCCC1)CCn1cnc(n1)c1cc(cc(OCC#CC)c1)C(F)(F)F;CC#CCOc1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)NN3CCCCC3)n2;CC#CCOc1cc(cc(c1)C(F)(F)F)c2ncn(n2)CCC(=O)NN3CCCCC3","InChI=1S/C21H24F3N5O2/c1-2-3-11-31-18-13-16(12-17(14-18)21(22,23)24)20-25-15-29(27-20)10-7-19(30)26-28-8-5-4-6-9-28/h12-15H,4-11H2,1H3,(H,26,30)","","2025-05-05","2025-11-21","3-(3-{3-[(but-2-yn-1-yl)oxy]-5-(trifluoromethyl)phenyl}-1H-1,2,4-triazol-1-yl)-N-(piperidin-1-yl)propanamide","2025-11-26"],["ZQ0","N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","C15 H23 N3 O3","Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC;CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2;CCCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)C","InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)","","2023-03-17","2023-03-24","N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["A1IHZ","2-sulfanylpyridine-3-carboximidamide","C6 H7 N3 S","NC(=N)c1cccnc1S;c1cc(c(nc1)S)C(=N)N","InChI=1S/C6H7N3S/c7-5(8)4-2-1-3-9-6(4)10/h1-3H,(H3,7,8)(H,9,10)","","2024-07-10","2025-07-18","2-sulfanylpyridine-3-carboximidamide","2025-07-23"],["XJE","[(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","C12 H13 O6 P","COc1c2c(cc(c1)C)OC(=O)C=C2CP(O)(=O)O;COc1cc(C)cc2OC(=O)C=C(C[P](O)(O)=O)c12;Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O","InChI=1S/C12H13O6P/c1-7-3-9(17-2)12-8(6-19(14,15)16)5-11(13)18-10(12)4-7/h3-5H,6H2,1-2H3,(H2,14,15,16)","","2018-04-17","2019-04-12","[(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","2019-04-17"],["A1CBE","N-(4-{[(3aS,4R,6S,6aR)-6-(3-chlorophenyl)-2-propanoyloctahydrocyclopenta[c]pyrrol-4-yl]oxy}phenyl)acetamide","C24 H27 Cl N2 O3","CC(=O)Nc1ccc(cc1)OC1CC(C2CN(CC21)C(=O)CC)c1cccc(Cl)c1;CCC(=O)N1C[CH]2[CH](C[CH]([CH]2C1)c3cccc(Cl)c3)Oc4ccc(NC(C)=O)cc4;CCC(=O)N1CC2C(CC(C2C1)Oc3ccc(cc3)NC(=O)C)c4cccc(c4)Cl","InChI=1S/C24H27ClN2O3/c1-3-24(29)27-13-21-20(16-5-4-6-17(25)11-16)12-23(22(21)14-27)30-19-9-7-18(8-10-19)26-15(2)28/h4-11,20-23H,3,12-14H2,1-2H3,(H,26,28)/t20-,21-,22-,23-/m1/s1","","2025-05-06","2025-06-06","N-(4-{[(3aS,4R,6S,6aR)-6-(3-chlorophenyl)-2-propanoyloctahydrocyclopenta[c]pyrrol-4-yl]oxy}phenyl)acetamide","2025-06-11"],["G2T","diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2S)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate","C26 H33 N2 O9 P S2","O=C(Nc1nc(CP(=O)(OCC)OCC)cs1)c1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(OC(C)COC)c1;CCO[P](=O)(Cc1csc(NC(=O)c2cc(O[CH](C)COC)cc(Oc3ccc(cc3)[S](C)(=O)=O)c2)n1)OCC;CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)OC(C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC","InChI=1S/C26H33N2O9PS2/c1-6-34-38(30,35-7-2)16-20-17-39-26(27-20)28-25(29)19-12-22(36-18(3)15-33-4)14-23(13-19)37-21-8-10-24(11-9-21)40(5,31)32/h8-14,17-18H,6-7,15-16H2,1-5H3,(H,27,28,29)/t18-/m0/s1","","2021-12-15","2022-02-25","diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2S)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate","2022-03-02"],["A1AKU","(4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline","C11 H12 N4 O3","O=C(O)C1CC(O)CN1c1ncnc2[NH]ccc12;O[CH]1C[CH](N(C1)c2ncnc3[nH]ccc23)C(O)=O;c1c[nH]c2c1c(ncn2)N3CC(CC3C(=O)O)O","InChI=1S/C11H12N4O3/c16-6-3-8(11(17)18)15(4-6)10-7-1-2-12-9(7)13-5-14-10/h1-2,5-6,8,16H,3-4H2,(H,17,18)(H,12,13,14)/t6-,8-/m0/s1","","2024-04-04","2024-05-10","(4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline","2024-05-15"],["A1AFF","(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine","C13 H18 N2 O2 S2","O=S(=O)(N1CCC(N1)c1ccccc1)C1CCCS1;O=[S](=O)([CH]1CCCS1)N2CC[CH](N2)c3ccccc3;c1ccc(cc1)C2CCN(N2)S(=O)(=O)C3CCCS3","InChI=1S/C13H18N2O2S2/c16-19(17,13-7-4-10-18-13)15-9-8-12(14-15)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13+/m0/s1","","2024-02-23","2025-02-21","(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine","2025-02-26"],["ZQ1","N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine","C19 H20 Cl N3 O5 S","O=S(=O)(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1ccc(Cl)cc1;OC(=O)CNC(=O)c1ccc(cn1)[S](=O)(=O)N2CCC(CC2)c3ccc(Cl)cc3;c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl","InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)","","2021-05-18","2021-06-04","N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine","2021-06-09"],["A1AFO","7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide","C16 H17 N3 O4","NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OC;COc1cc2c(OC[CH]3CCC(=O)N3)nccc2cc1C(N)=O;COc1cc2c(ccnc2OCC3CCC(=O)N3)cc1C(=O)N","InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1","","2024-02-23","2024-04-26","7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide","2024-05-01"],["A1CBN","(3M)-1-[(2E)-2-iminoethyl]-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione","C20 H13 F3 N4 O2","FC(F)(F)c1ccc2c(c1)C(=O)N(C(=O)N2CC=N)c1cncc2ccccc21;FC(F)(F)c1ccc2N(CC=N)C(=O)N(C(=O)c2c1)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3C(=O)c4cc(ccc4N(C3=O)CC=N)C(F)(F)F","InChI=1S/C20H13F3N4O2/c21-20(22,23)13-5-6-16-15(9-13)18(28)27(19(29)26(16)8-7-24)17-11-25-10-12-3-1-2-4-14(12)17/h1-7,9-11,24H,8H2/b24-7+","","2025-05-07","2026-02-13","(3M)-1-[(2E)-2-iminoethyl]-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione","2026-02-18"],["XJF","[(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methyl N-phenylcarbamate","C17 H24 N2 O2","O=C(Nc1ccccc1)OC[C]23CCCC[CH]2NCCC3;c1ccc(cc1)NC(=O)OCC23CCCCC2NCCC3","InChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)21-13-17-10-5-4-9-15(17)18-12-6-11-17/h1-3,7-8,15,18H,4-6,9-13H2,(H,19,20)/t15-,17+/m1/s1","","2023-11-02","2024-08-30","[(4~{a}~{R},8~{a}~{R})-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-quinolin-4~{a}-yl]methyl ~{N}-phenylcarbamate","2024-09-04"],["A1IIB","methyl 1H-imidazole-5-carboxylate","C5 H6 N2 O2","COC(=O)c1[nH]cnc1;COC(=O)c1cnc[nH]1","InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)","(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN","2024-07-16","2025-07-25","methyl 1~{H}-imidazole-5-carboxylate","2025-07-30"],["G2U","3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione","C15 H16 N4 O3 S","CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2;Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C","InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22)","","2022-01-26","2022-09-23","3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione","2022-09-28"],["A1AKV","3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine","C12 H14 N4 O2","O=C(O)C(CC1CC1)Nc1ncnc2[NH]ccc21;OC(=O)[CH](CC1CC1)Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC(CC3CC3)C(=O)O","InChI=1S/C12H14N4O2/c17-12(18)9(5-7-1-2-7)16-11-8-3-4-13-10(8)14-6-15-11/h3-4,6-7,9H,1-2,5H2,(H,17,18)(H2,13,14,15,16)","","2024-04-04","2024-05-10","3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine","2024-05-15"],["G2V","6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline","C15 H17 N3","C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C;CN1CCc2cc(ccc12)c3cn4CCCc4n3;CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4","InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3","5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole","2018-05-02","2021-03-13","5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole","2018-09-05"],["A1IIE","8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione","C28 H24 Cl2 N6 O4","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12;CN1c2c(n(c(n2)Oc3ccc(c(c3)Cl)N=Nc4ccccc4)Cc5ccc(cc5)Cl)C(=O)N(C1=O)CCCO","InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32+","","2024-07-17","2025-07-25","8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione","2025-07-30"],["ZQ2","[Ru2(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)","C15 H16 N2 O2 Ru2","CC1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3;CC1O[Ru]2N(CN([Ru]2O1)c3ccccc3)c4ccccc4","InChI=1S/C13H12N2.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2(3)4;;/h1-10H,11H2;2H,1H3;;/q2*-2;2*+2","3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane","2023-06-29","2023-09-08","3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane","2023-09-13"],["A1ALA","1H-indol-6-amine","C8 H8 N2","Nc1ccc2cc[NH]c2c1;Nc1ccc2cc[nH]c2c1;c1cc(cc2c1cc[nH]2)N","InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2","","2024-04-08","2024-06-07","1H-indol-6-amine","2024-06-12"],["XJG","1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE","C19 H21 N O3","O=C(c1cc(c(OC)cc1O)C(C)C)N3Cc2ccccc2C3;COc1cc(O)c(cc1C(C)C)C(=O)N2Cc3ccccc3C2;CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2","InChI=1S/C19H21NO3/c1-12(2)15-8-16(17(21)9-18(15)23-3)19(22)20-10-13-6-4-5-7-14(13)11-20/h4-9,12,21H,10-11H2,1-3H3","","2010-07-06","2011-06-04","2-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-5-methoxy-4-(1-methylethyl)phenol",""],["A1CBU","(4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[6-(trifluoromethyl)pyridin-3-yl]imidazolidin-2-one","C19 H14 F3 N5 O","FC(F)(F)c1ccc(cn1)N1CC(C=N)N(c2cncc3ccccc23)C1=O;FC(F)(F)c1ccc(cn1)N2C[CH](C=N)N(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3C(CN(C3=O)c4ccc(nc4)C(F)(F)F)C=N","InChI=1S/C19H14F3N5O/c20-19(21,22)17-6-5-13(9-25-17)26-11-14(7-23)27(18(26)28)16-10-24-8-12-3-1-2-4-15(12)16/h1-10,14,23H,11H2/b23-7+/t14-/m0/s1","","2025-05-08","2025-12-19","(4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[6-(trifluoromethyl)pyridin-3-yl]imidazolidin-2-one","2025-12-24"],["A1AFR","1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]propan-1-one","C22 H24 N6 O3","CCC(=O)N1CCC(C1)n1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc21;CCC(=O)N1CC[CH](C1)n2nc(C#Cc3cc(OC)cc(OC)c3)c4c(N)ncnc24;CCC(=O)N1CCC(C1)n2c3c(c(n2)C#Cc4cc(cc(c4)OC)OC)c(ncn3)N","InChI=1S/C22H24N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h9-11,13,15H,4,7-8,12H2,1-3H3,(H2,23,24,25)/t15-/m0/s1","","2024-02-23","2024-12-27","1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]propan-1-one","2025-01-01"],["XJH","6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine","C22 H23 N3 O2","O(c2cc(Oc1ccccc1)ccc2)C3C(CNC3)Cc4nc(N)ccc4;Nc1cccc(C[CH]2CNC[CH]2Oc3cccc(Oc4ccccc4)c3)n1;c1ccc(cc1)Oc2cccc(c2)OC3CNCC3Cc4cccc(n4)N","InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1","","2010-06-08","2011-06-04","6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine",""],["G2W","3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide","C22 H22 F N5 O2","CNC(=O)c1cccc(Nc2nccc(n2)N3CC(C3)Oc4ccc(F)cc4C)c1;Cc1cc(ccc1OC2CN(C2)c3ccnc(n3)Nc4cccc(c4)C(=O)NC)F","InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27)","","2022-05-03","2022-11-25","3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide","2022-11-30"],["A1CCR","(2S)-2-hydrazinyl-3-phenylpropanoic acid","C9 H12 N2 O2","O=C(O)C(NN)Cc1ccccc1;NN[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)NN","InChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1","","2025-05-14","2025-11-28","(2S)-2-hydrazinyl-3-phenylpropanoic acid","2025-12-03"],["ZQ4","2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol","C39 H79 O8 P","OP(=O)(CC1OC(CO)C(O)C(O)C1O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC;CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(CC1C(C(C(C(O1)CO)O)O)O)O","InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)29-36-38(42)39(43)37(41)35(28-40)47-36/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31+,32+,33-,34+,35+,36-,37+,38+,39-/m0/s1","","2021-05-19","2021-11-12","2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol","2021-11-17"],["A1AFU","2-bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide","C20 H24 Br N3 O","CCN(CC)C(=O)C1C=C2C(Cc3c(Br)[NH]c4cccc2c34)N(C)C1;CCN(CC)C(=O)[CH]1CN(C)[CH]2Cc3c(Br)[nH]c4cccc(C2=C1)c34;CCN(CC)C(=O)C1CN(C2Cc3c4c(cccc4[nH]c3Br)C2=C1)C","InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1","","2024-02-26","2025-03-28","2-bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide","2025-04-02"],["A1IIU","(3Z)-7-chloro-10,21-dihydroxy-2,2-dioxo-18-(4-piperidyl)-2-lambda-6,5-dithia-3,12,18-triazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one","C24 H27 Cl N4 O5 S2","Oc1ccc2cc1C(=O)N(CCCCCN3C(=N[S]2(=O)=O)Sc4c(Cl)ccc(O)c34)C5CCNCC5;c1cc(c2cc1S(=O)(=O)N=C3N(CCCCCN(C2=O)C4CCNCC4)c5c(ccc(c5S3)Cl)O)O","InChI=1S/C24H27ClN4O5S2/c25-18-5-7-20(31)21-22(18)35-24-27-36(33,34)16-4-6-19(30)17(14-16)23(32)28(15-8-10-26-11-9-15)12-2-1-3-13-29(21)24/h4-7,14-15,26,30-31H,1-3,8-13H2/b27-24-","19-chloro-6,16-dihydroxy-2,2,8-trioxo-9-(piperidin-4-yl)-1,8,9,10,11,12,13,14-octahydro-2H-3,7-(metheno)-2-lambda-6-[1,2,4,10]thiatriazacyclohexadecino[3,4-b][1,3]benzothiazol-15-ium","2024-07-19","2025-04-11","","2025-04-16"],["A1ALQ","(4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile","C23 H24 N8 O2","N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NC(c1ccc2OCCOc2n1)C(C)(C)C;Cn1ncc(c2[nH]c3ncnc(N[CH](c4ccc5OCCOc5n4)C(C)(C)C)c3c2)c1C#N;CC(C)(C)C(c1ccc2c(n1)OCCO2)Nc3c4cc([nH]c4ncn3)c5cnn(c5C#N)C","InChI=1S/C23H24N8O2/c1-23(2,3)19(15-5-6-18-22(29-15)33-8-7-32-18)30-21-13-9-16(28-20(13)25-12-26-21)14-11-27-31(4)17(14)10-24/h5-6,9,11-12,19H,7-8H2,1-4H3,(H2,25,26,28,30)/t19-/m1/s1","","2024-04-09","2024-05-10","(4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile","2024-05-15"],["A1ALV","N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C28 H33 F N6 O3","O=C1NCCC1CC(C=N)NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1F)c1cc2cnn(C)c2cc1;CC(C)C[CH](NC(=O)c1ccc(cc1F)c2ccc3n(C)ncc3c2)C(=O)N[CH](C[CH]4CCNC4=O)C=N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=N)NC(=O)c2ccc(cc2F)c3ccc4c(c3)cnn4C","InChI=1S/C28H33FN6O3/c1-16(2)10-24(28(38)33-21(14-30)12-19-8-9-31-26(19)36)34-27(37)22-6-4-18(13-23(22)29)17-5-7-25-20(11-17)15-32-35(25)3/h4-7,11,13-16,19,21,24,30H,8-10,12H2,1-3H3,(H,31,36)(H,33,38)(H,34,37)","","2024-04-10","2025-04-11","N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2025-04-16"],["ZQ5","N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C14 H21 N3 O2 S","O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1;CCCCNC(=O)N1CCN(CC1)C(=O)c2sccc2;CCCCNC(=O)N1CCN(CC1)C(=O)c2cccs2","InChI=1S/C14H21N3O2S/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19)","","2023-03-17","2023-03-24","N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["A1CD3","N-cyclohexyl-N'-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}sulfuric diamide","C18 H23 N5 O4 S","O=S(=O)(NC1CCCCC1)Nc1noc2cc(cc(OC)c21)Cn1cccn1;COc1cc(Cn2cccn2)cc3onc(N[S](=O)(=O)NC4CCCCC4)c13;COc1cc(cc2c1c(no2)NS(=O)(=O)NC3CCCCC3)Cn4cccn4","InChI=1S/C18H23N5O4S/c1-26-15-10-13(12-23-9-5-8-19-23)11-16-17(15)18(20-27-16)22-28(24,25)21-14-6-3-2-4-7-14/h5,8-11,14,21H,2-4,6-7,12H2,1H3,(H,20,22)","","2025-05-22","2026-02-06","N-cyclohexyl-N'-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}sulfuric diamide","2026-02-11"],["XJI","(3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide","C19 H14 Cl2 F2 N4 O2","Fc1ccc(cc1Cl)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccc(Cl)cc1F;NC(=O)C[CH](NC(=O)c1c[nH]nc1c2ccc(Cl)cc2F)c3ccc(F)c(Cl)c3;c1cc(c(cc1C(CC(=O)N)NC(=O)c2c[nH]nc2c3ccc(cc3F)Cl)Cl)F","InChI=1S/C19H14Cl2F2N4O2/c20-10-2-3-11(15(23)6-10)18-12(8-25-27-18)19(29)26-16(7-17(24)28)9-1-4-14(22)13(21)5-9/h1-6,8,16H,7H2,(H2,24,28)(H,25,27)(H,26,29)/t16-/m0/s1","","2022-11-22","2023-02-24","(3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide","2023-03-01"],["A1IIV","1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole","C10 H6 Cl3 N3","Clc1ccc(C(Cl)=Cn2cncn2)c(Cl)c1;c1cc(c(cc1Cl)Cl)C(=Cn2cncn2)Cl","InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-","","2024-07-23","2025-07-25","1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole","2025-07-30"],["G2X","6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C18 H18 Cl F5 N6 O","CNCCCOc1cc(F)c(c(F)c1)c2c(Cl)nc3ncnn3c2N[CH](C)C(F)(F)F;CC(C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F","InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1","","2020-07-21","2021-07-02","6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-~{N}-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2021-07-07"],["A1CDA","(2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide","C14 H25 N5 O4","ON=CC(=O)NCCC1CCCN(CCCNC(=O)C=NO)C1;ON=CC(=O)NCCCN1CCC[CH](CCNC(=O)C=NO)C1;C1CC(CN(C1)CCCNC(=O)C=NO)CCNC(=O)C=NO","InChI=1S/C14H25N5O4/c20-13(9-17-22)15-5-2-8-19-7-1-3-12(11-19)4-6-16-14(21)10-18-23/h9-10,12,22-23H,1-8,11H2,(H,15,20)(H,16,21)/b17-9+,18-10+/t12-/m1/s1","","2025-05-19","2025-07-25","(2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide","2025-07-30"],["A1AFX","2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline","C22 H28 N2 O3","COc1cc(CCNCc2ccccc2OCC#C)c(cc1N(C)C)OC;COc1cc(N(C)C)c(OC)cc1CCNCc2ccccc2OCC#C;CN(C)c1cc(c(cc1OC)CCNCc2ccccc2OCC#C)OC","InChI=1S/C22H28N2O3/c1-6-13-27-20-10-8-7-9-18(20)16-23-12-11-17-14-22(26-5)19(24(2)3)15-21(17)25-4/h1,7-10,14-15,23H,11-13,16H2,2-5H3","","2024-02-26","2025-03-28","2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline","2025-04-02"],["ZQ6","(3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol","C23 H32 N6 O2","COc1ccccc1CNc2cc(NC[CH]3CCNC[CH]3O)nc4n2ncc4C(C)C;CC(C)c1cnn2c1nc(cc2NCc3ccccc3OC)NCC4CCNCC4O","InChI=1S/C23H32N6O2/c1-15(2)18-13-27-29-22(26-12-17-6-4-5-7-20(17)31-3)10-21(28-23(18)29)25-11-16-8-9-24-14-19(16)30/h4-7,10,13,15-16,19,24,26,30H,8-9,11-12,14H2,1-3H3,(H,25,28)/t16-,19+/m1/s1","","2023-06-30","2024-03-15","(3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol","2024-03-20"],["XJJ","piperazin-2-one","C4 H8 N2 O","O=C1NCCNC1;O=C1CNCCN1;C1CNC(=O)CN1","InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)","","2020-12-17","2021-06-18","piperazin-2-one","2021-06-23"],["G2Y","1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside","C12 H19 Cl3 O8","C2(C(C(O)C(OC1(OC(C(O)C1O)CCl)CCl)OC2CO)O)Cl;OC[CH]1O[CH](O[C]2(CCl)O[CH](CCl)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1Cl;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O","InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m0/s1","","2018-05-03","2020-04-16","1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside","2018-08-08"],["A1IJE","(4~{S})-4-azanyl-4-[1-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4~{H}-imidazol-2-yl]butanoic acid","C16 H17 N3 O6","N[CH](CCC(O)=O)C1=N[CH](C=C2C=CC(=O)C=C2)C(=O)N1CC(O)=O;C1=CC(=O)C=CC1=CC2C(=O)N(C(=N2)C(CCC(=O)O)N)CC(=O)O","InChI=1S/C16H17N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,11-12H,5-6,8,17H2,(H,21,22)(H,23,24)/t11-,12?/m0/s1","","2024-07-29","2025-08-22","(4~{S})-4-azanyl-4-[1-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4~{H}-imidazol-2-yl]butanoic acid","2025-08-27"],["A1AMA","(4S)-4-amino-6-(methanesulfonyl)hexanamide","C7 H16 N2 O3 S","NC(CCC(N)=O)CCS(C)(=O)=O;C[S](=O)(=O)CC[CH](N)CCC(N)=O;CS(=O)(=O)CCC(CCC(=O)N)N","InChI=1S/C7H16N2O3S/c1-13(11,12)5-4-6(8)2-3-7(9)10/h6H,2-5,8H2,1H3,(H2,9,10)/t6-/m0/s1","","2024-04-11","2025-04-18","(4S)-4-amino-6-(methanesulfonyl)hexanamide","2025-04-23"],["G2Z","[(2~{S})-2-azanylpropyl]carbamic acid","C4 H10 N2 O2","C[CH](N)CNC(O)=O;CC(CNC(=O)O)N","InChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1","","2018-08-23","2024-09-27","[(2~{S})-2-azanylpropyl]carbamic acid","2021-02-17"],["XJK","5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide","C20 H19 Cl N4 O3 S","Clc1ccc(cc1)c1sc(nc1C(=O)NC)N1CNc2cc(OC)c(OC)cc21;CNC(=O)c1nc(sc1c2ccc(Cl)cc2)N3CNc4cc(OC)c(OC)cc34;CNC(=O)c1c(sc(n1)N2CNc3c2cc(c(c3)OC)OC)c4ccc(cc4)Cl","InChI=1S/C20H19ClN4O3S/c1-22-19(26)17-18(11-4-6-12(21)7-5-11)29-20(24-17)25-10-23-13-8-15(27-2)16(28-3)9-14(13)25/h4-9,23H,10H2,1-3H3,(H,22,26)","","2023-06-07","2024-12-13","5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide","2024-12-18"],["A1IJF","2-[(4Z)-2-(aminomethyl)-4-[(3-azanyl-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C13 H14 N4 O4","NCC1=NC(=Cc2ccc(O)c(N)c2)C(=O)N1CC(O)=O;c1cc(c(cc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)N)O","InChI=1S/C13H14N4O4/c14-5-11-16-9(13(21)17(11)6-12(19)20)4-7-1-2-10(18)8(15)3-7/h1-4,18H,5-6,14-15H2,(H,19,20)/b9-4-","GLYCEROL","2024-07-30","2025-05-16","2-[(4~{Z})-2-(aminomethyl)-4-[(3-azanyl-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2025-05-21"],["A1CDF","5-ethoxy-2-fluoro-N'-[3-(2-hydroxyethoxy)benzene-1-sulfonyl]benzohydrazide","C17 H19 F N2 O6 S","O=S(=O)(NNC(=O)c1cc(OCC)ccc1F)c1cc(OCCO)ccc1;CCOc1ccc(F)c(c1)C(=O)NN[S](=O)(=O)c2cccc(OCCO)c2;CCOc1ccc(c(c1)C(=O)NNS(=O)(=O)c2cccc(c2)OCCO)F","InChI=1S/C17H19FN2O6S/c1-2-25-13-6-7-16(18)15(11-13)17(22)19-20-27(23,24)14-5-3-4-12(10-14)26-9-8-21/h3-7,10-11,20-21H,2,8-9H2,1H3,(H,19,22)","","2025-05-21","2026-02-06","5-ethoxy-2-fluoro-N'-[3-(2-hydroxyethoxy)benzene-1-sulfonyl]benzohydrazide","2026-02-11"],["A1AME","4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C22 H27 N5 O3 S","CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CCNC(=O)c1[nH]c2ncnc(N[CH](C(C)C)c3ccc4CCC[S](=O)(=O)c4c3)c2c1;CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccc4c(c3)S(=O)(=O)CCC4)C(C)C","InChI=1S/C22H27N5O3S/c1-4-23-22(28)17-11-16-20(26-17)24-12-25-21(16)27-19(13(2)3)15-8-7-14-6-5-9-31(29,30)18(14)10-15/h7-8,10-13,19H,4-6,9H2,1-3H3,(H,23,28)(H2,24,25,26,27)/t19-/m0/s1","","2024-04-11","2024-05-10","4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2024-05-15"],["ZQ7","2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol","C39 H77 F2 O8 P","OP(=O)(OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(F)(F)C1OC(CO)C(O)C(O)C1O;CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(=O)C(F)(F)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(C(C1C(C(C(C(O1)CO)O)O)O)(F)F)O","InChI=1S/C39H77F2O8P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-48-50(46,47)39(40,41)38-37(45)36(44)35(43)34(28-42)49-38/h29-38,42-45H,7-28H2,1-6H3,(H,46,47)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38+/m0/s1","","2021-05-19","2021-11-12","2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol","2021-11-17"],["ZQ9","4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide","C15 H17 N3 O2 S2","O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1;O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3;c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3","InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20)","","2023-03-17","2023-03-24","4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide","2023-03-29"],["A1AMF","4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide","C21 H25 N5 O3 S","CNC(=O)c1c[NH]c2ncnc(NC(c3ccc4CCCS(=O)(=O)c4c3)C(C)C)c12;CNC(=O)c1c[nH]c2ncnc(N[CH](C(C)C)c3ccc4CCC[S](=O)(=O)c4c3)c12;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4c(c[nH]c4ncn3)C(=O)NC","InChI=1S/C21H25N5O3S/c1-12(2)18(14-7-6-13-5-4-8-30(28,29)16(13)9-14)26-20-17-15(21(27)22-3)10-23-19(17)24-11-25-20/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t18-/m0/s1","","2024-04-11","2024-05-10","4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide","2024-05-15"],["A1IJR","~{N}-[(~{E},5~{S})-6-[2-[2-(2-azanylethoxy)ethoxy]ethylamino]-5-[[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-6-oxidanylidene-hex-2-enyl]-2-(2-hydroxyphenyl)-1,3-thiazole-4-carboxamide","C32 H36 N6 O7 S2","NCCOCCOCCNC(=O)[CH](CC=CCNC(=O)c1csc(n1)c2ccccc2O)NC(=O)c3csc(n3)c4ccccc4O;c1ccc(c(c1)c2nc(cs2)C(=O)NCC=CCC(C(=O)NCCOCCOCCN)NC(=O)c3csc(n3)c4ccccc4O)O","InChI=1S/C32H36N6O7S2/c33-12-15-44-17-18-45-16-14-35-28(41)23(36-30(43)25-20-47-32(38-25)22-8-2-4-11-27(22)40)9-5-6-13-34-29(42)24-19-46-31(37-24)21-7-1-3-10-26(21)39/h1-8,10-11,19-20,23,39-40H,9,12-18,33H2,(H,34,42)(H,35,41)(H,36,43)/b6-5+/t23-/m0/s1","","2024-08-01","2026-02-13","~{N}-[(~{E},5~{S})-6-[2-[2-(2-azanylethoxy)ethoxy]ethylamino]-5-[[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-6-oxidanylidene-hex-2-enyl]-2-(2-hydroxyphenyl)-1,3-thiazole-4-carboxamide","2026-02-18"],["A1AGA","(1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H37 F N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1cc(F)ccc1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2cccc(F)c2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2Cc3cccc(c3)F","InChI=1S/C26H37FN4O9S/c1-15(2)10-20(24(34)29-21(25(35)41(37,38)39)12-17-8-9-28-23(17)33)30-26(36)40-14-19-6-7-22(32)31(19)13-16-4-3-5-18(27)11-16/h3-5,11,15,17,19-21,25,35H,6-10,12-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t17-,19-,20-,21-,25-/m0/s1","","2024-02-29","2024-09-27","(1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["A1CDU","(2S)-2-hydroxy-3-phenylpropanamide","C9 H11 N O2","OC(Cc1ccccc1)C(N)=O;NC(=O)[CH](O)Cc1ccccc1;c1ccc(cc1)CC(C(=O)N)O","InChI=1S/C9H11NO2/c10-9(12)8(11)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m0/s1","","2025-05-21","2025-11-07","(2S)-2-hydroxy-3-phenylpropanamide","2025-11-12"],["XJL","4-(5-(4-aminophenyl)-1H-pyrazol-1-yl)benzoic acid","C16 H13 N3 O2","Nc1ccc(cc1)c2ccnn2c3ccc(cc3)C(O)=O;c1cc(ccc1c2ccnn2c3ccc(cc3)C(=O)O)N","InChI=1S/C16H13N3O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,17H2,(H,20,21)","4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid","2023-11-03","2024-11-08","4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid","2024-11-13"],["G30","(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid","C11 H9 F2 N O3","O=C(Nc1cc(F)ccc1F)C2C(C(=O)O)C2;OC(=O)[CH]1C[CH]1C(=O)Nc2cc(F)ccc2F;c1cc(c(cc1F)NC(=O)C2CC2C(=O)O)F","InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1","","2009-02-03","2011-06-04","(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid",""],["A1IKE","(2~{S})-2-(2-azanylphenoxy)propanoic acid","C9 H11 N O3","C[CH](Oc1ccccc1N)C(O)=O;CC(C(=O)O)Oc1ccccc1N","InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m0/s1","","2024-08-07","2025-08-01","(2~{S})-2-(2-azanylphenoxy)propanoic acid","2025-08-06"],["A1CEB","[(2~{R},3~{R},4~{S},5~{R})-5-(6-azanyl-3-methyl-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C11 H16 F N5 O6 P","O=P(O)(O)OCC1OC(n2cnc3c2[n+](C)cnc3N)C(F)C1O;C[n+]1cnc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F)c12;C[n+]1cnc(c2c1n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)F)N","InChI=1S/C11H15FN5O6P/c1-16-3-15-9(13)7-10(16)17(4-14-7)11-6(12)8(18)5(23-11)2-22-24(19,20)21/h3-6,8,11,13,18H,2H2,1H3,(H2,19,20,21)/p+1/t5-,6+,8-,11-/m1/s1","","2025-05-27","2025-11-14","6-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3-methyl-9H-purin-3-ium","2025-11-19"],["A1AMQ","4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C22 H25 N5 O3 S","CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C1CC1;CCNC(=O)c1[nH]c2ncnc(N[CH](C3CC3)c4ccc5CCC[S](=O)(=O)c5c4)c2c1;CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccc4c(c3)S(=O)(=O)CCC4)C5CC5","InChI=1S/C22H25N5O3S/c1-2-23-22(28)17-11-16-20(26-17)24-12-25-21(16)27-19(14-6-7-14)15-8-5-13-4-3-9-31(29,30)18(13)10-15/h5,8,10-12,14,19H,2-4,6-7,9H2,1H3,(H,23,28)(H2,24,25,26,27)/t19-/m0/s1","","2024-04-15","2024-05-10","4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2024-05-15"],["G31","3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O6 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(C3)C)COP(=O)(O)O;C[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N;CC1CC(OC1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N","InChI=1S/C11H16N5O6P/c1-5-2-7(22-6(5)3-21-23(18,19)20)16-4-13-8-9(16)14-11(12)15-10(8)17/h4-7H,2-3H2,1H3,(H2,18,19,20)(H3,12,14,15,17)/t5-,6+,7+/m0/s1","","1992-07-15","2011-06-04","2',3'-dideoxy-3'-methylguanosine 5'-(dihydrogen phosphate)",""],["ZQA","4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole","C8 H9 N3 S","CCc1csc(n1)c1[NH]cnc1;CCc1csc(n1)c2[nH]cnc2;CCc1csc(n1)c2cnc[nH]2","InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)","","2021-05-19","2021-06-04","4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole","2021-06-09"],["XJM","5-methyl-1H-tetrazole","C2 H4 N4","Cc1nnnn1;Cc1[nH]nnn1;Cc1[nH]nnn1","InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)","","2020-12-17","2021-06-18","5-methyl-1H-tetrazole","2021-06-23"],["XJN","3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","C21 H30 N4 O4","Nc1nc(CCCCC)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;CCCCCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(O)=O;CCCCCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O","InChI=1S/C21H30N4O4/c1-2-3-4-9-16-19(20(22)25-21(23)24-16)29-14-7-13-28-17-10-6-5-8-15(17)11-12-18(26)27/h5-6,8,10H,2-4,7,9,11-14H2,1H3,(H,26,27)(H4,22,23,24,25)","","2022-11-23","2023-12-08","3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","2023-12-13"],["ZQB","Pomotrelvir bound form","C23 H28 Cl N5 O3","Clc1cccc2cc([NH]c21)C(=O)NC(CC1CC1)C(=O)NC(CC1CCCNC1=O)C=N;Clc1cccc2cc([nH]c12)C(=O)N[CH](CC3CC3)C(=O)N[CH](C[CH]4CCCNC4=O)C=N;c1cc2cc([nH]c2c(c1)Cl)C(=O)NC(CC3CC3)C(=O)NC(CC4CCCNC4=O)C=N","InChI=1S/C23H28ClN5O3/c24-17-5-1-3-14-11-19(28-20(14)17)23(32)29-18(9-13-6-7-13)22(31)27-16(12-25)10-15-4-2-8-26-21(15)30/h1,3,5,11-13,15-16,18,25,28H,2,4,6-10H2,(H,26,30)(H,27,31)(H,29,32)/b25-12-/t15-,16-,18-/m0/s1","","2023-06-30","2024-09-27","7-chloro-N-[(2S)-3-cyclopropyl-1-({(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide","2023-08-09"],["G32","O6-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O;COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;COc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1/f/h18-19H,12H2","","1994-04-30","2009-01-07","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine",""],["A1CFA","[(1E)-3-(4-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid","C10 H11 Cl N O5 P","O=C(c1ccc(Cl)cc1)N(O)C/C=C/P(=O)(O)O;ON(CC=C[P](O)(O)=O)C(=O)c1ccc(Cl)cc1;c1cc(ccc1C(=O)N(CC=CP(=O)(O)O)O)Cl","InChI=1S/C10H11ClNO5P/c11-9-4-2-8(3-5-9)10(13)12(14)6-1-7-18(15,16)17/h1-5,7,14H,6H2,(H2,15,16,17)/b7-1+","","2025-06-06","2026-03-20","[(1E)-3-(4-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid","2026-03-25"],["A1IKR","tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron","C8 H10 B O3","O[B](O)(O)C=Cc1ccccc1;B(C=Cc1ccccc1)(O)(O)O","InChI=1S/C8H10BO3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7,10-12H/b7-6+","","2024-08-12","2024-11-01","tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron","2024-11-06"],["A1AMU","(2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C17 H15 Br N4 O3","O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)c1ccc(Br)cc1;C[CH]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Br)cc3)C(O)=O;CC(C(c1ccc(cc1)Br)NC(=O)c2c3cc[nH]c3ncn2)C(=O)O","InChI=1S/C17H15BrN4O3/c1-9(17(24)25)13(10-2-4-11(18)5-3-10)22-16(23)14-12-6-7-19-15(12)21-8-20-14/h2-9,13H,1H3,(H,22,23)(H,24,25)(H,19,20,21)/t9-,13-/m0/s1","","2024-04-15","2024-05-10","(2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2024-05-15"],["G33","8-METHYL-2'-DEOXYGUANOSINE 3'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C;Cc1nc2C(=O)NC(=Nc2n1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N;Cc1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1/f/h15,19-20H,12H2","","1996-07-11","2009-08-25","2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate)",""],["XJO","(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate","C27 H39 N O5","O=C2OC(C(C=CC(=O)C(CC(C)C(OC(=O)c1ccccc1CN(C)C)C2C)C)C)CC;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)c2ccccc2CN(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C;CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C","InChI=1S/C27H39NO5/c1-8-24-17(2)13-14-23(29)18(3)15-19(4)25(20(5)26(30)32-24)33-27(31)22-12-10-9-11-21(22)16-28(6)7/h9-14,17-20,24-25H,8,15-16H2,1-7H3/b14-13+/t17-,18-,19+,20-,24-,25+/m1/s1","","2014-05-22","2015-06-12","(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate","2015-06-17"],["A1AMV","4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C18 H23 N7 O","Nc1nccc(c1)C(Nc1ncnc2[NH]c(cc21)C(=O)NCC)C(C)C;CCNC(=O)c1[nH]c2ncnc(N[CH](C(C)C)c3ccnc(N)c3)c2c1;CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccnc(c3)N)C(C)C","InChI=1S/C18H23N7O/c1-4-20-18(26)13-8-12-16(24-13)22-9-23-17(12)25-15(10(2)3)11-5-6-21-14(19)7-11/h5-10,15H,4H2,1-3H3,(H2,19,21)(H,20,26)(H2,22,23,24,25)/t15-/m0/s1","","2024-04-15","2024-05-10","4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2024-05-15"],["A1CFI","7-anilino-4-hydroxynaphthalene-2-sulfonic acid","C16 H13 N O4 S","O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc1ccccc1;Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)=O;c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O","InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)","","2025-06-09","2026-01-30","7-anilino-4-hydroxynaphthalene-2-sulfonic acid","2026-02-04"],["ZQC","4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide","C16 H13 N3 O S2","CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3;CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3","InChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)","","2017-01-28","2017-10-20","4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide","2017-10-25"],["A1AGF","(1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H38 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1ccccc1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2Cc3ccccc3","InChI=1S/C26H38N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h3-7,16,18-21,25,34H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19-,20-,21-,25-/m0/s1","","2024-02-29","2024-09-27","(1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["A1IKV","1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione","C44 H54 N13 O23 P3 S3","CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](S)(=O)O[CH]4[CH]5OC[C]4(CO[P](S)(=O)O[CH]6[CH]7OC[C]6(CO[P](S)(=O)O[CH]8[CH]9OC[C]8(CO)O[CH]9N%10C=C(C)C(=O)NC%10=O)O[CH]7N%11C=C(C)C(=NC%11=O)N)O[CH]5n%12cnc%13c(N)ncnc%12%13)C(=O)N=C1N;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)CO)OP(=O)(OCC45COC(C4OP(=O)(OCC67COC(C6OP(=O)(OCC89COC(C8O)C(O9)N1C=C(C(=NC1=O)N)C)S)C(O7)n1cnc2c1ncnc2N)S)C(O5)N1C=C(C(=NC1=O)N)C)S","InChI=1S/C44H54N13O23P3S3/c1-17-4-54(38(61)51-29(17)45)34-21-25(59)42(75-34,9-67-21)12-71-81(64,84)80-28-24-37(57-16-50-20-31(47)48-15-49-32(20)57)77-44(28,11-70-24)14-73-83(66,86)79-27-23-36(55-5-18(2)30(46)52-39(55)62)76-43(27,10-69-23)13-72-82(65,85)78-26-22-35(74-41(26,7-58)8-68-22)56-6-19(3)33(60)53-40(56)63/h4-6,15-16,21-28,34-37,58-59H,7-14H2,1-3H3,(H,64,84)(H,65,85)(H,66,86)(H2,45,51,61)(H2,46,52,62)(H2,47,48,49)(H,53,60,63)/t21?,22-,23+,24-,25-,26-,27+,28?,34?,35-,36+,37?,41-,42+,43+,44+,81+,82+,83+/m0/s1","","2024-08-14","2025-08-15","1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione","2025-08-20"],["A1IKY","~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidine-2-carboxamide","C20 H26 N4 O4 S","ONC(=O)CCCCCONC(=O)c1scc(n1)c2ccc(cc2)N3CCCC3;c1cc(ccc1c2csc(n2)C(=O)NOCCCCCC(=O)NO)N3CCCC3","InChI=1S/C20H26N4O4S/c25-18(22-27)6-2-1-5-13-28-23-19(26)20-21-17(14-29-20)15-7-9-16(10-8-15)24-11-3-4-12-24/h7-10,14,27H,1-6,11-13H2,(H,22,25)(H,23,26)","","2024-08-14","2024-11-29","~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-2-carboxamide","2024-12-04"],["A1CFZ","(4aS,8aR)-octahydroquinoxalin-2(1H)-one","C8 H14 N2 O","O=C1NC2CCCCC2NC1;O=C1CN[CH]2CCCC[CH]2N1;C1CCC2C(C1)NCC(=O)N2","InChI=1S/C8H14N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1","","2025-06-09","2025-10-31","(4aS,8aR)-octahydroquinoxalin-2(1H)-one","2025-11-05"],["A1AGQ","(1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C27 H42 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C[CH]2C[CH]3C[CH]2C=C3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CC4CC3C=C4","InChI=1S/C27H42N4O9S/c1-15(2)9-21(25(34)29-22(26(35)41(37,38)39)12-18-7-8-28-24(18)33)30-27(36)40-14-20-5-6-23(32)31(20)13-19-11-16-3-4-17(19)10-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26-/m1/s1","","2024-02-29","2024-09-27","(1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["ZQD","3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole","C9 H14 N2 O3 S","CS(=O)(=O)N1CCCC1c1cc(C)on1;Cc1onc(c1)[CH]2CCCN2[S](C)(=O)=O;Cc1cc(no1)C2CCCN2S(=O)(=O)C","InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1","","2021-05-19","2021-06-04","3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole","2021-06-09"],["XJP","(2S,4R)-1,3-thiazolidine-2,4-diamine","C3 H9 N3 S","NC1NC(SC1)N;N[CH]1CS[CH](N)N1;C1C(NC(S1)N)N","InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1","","2020-12-17","2021-06-18","(2S,4R)-1,3-thiazolidine-2,4-diamine","2021-06-23"],["G34","Retapamulin","C30 H47 N O4 S","O=C1CCC52C1C(C)(C(C)CC2)C(OC(=O)CSC4CC3N(C)C(CC3)C4)CC(C=C)(C)C(O)C5C;C[CH]1CC[C]23CCC(=O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3C)OC(=O)CS[CH]4C[CH]5CC[CH](C4)N5C;CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C","InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1","","2007-01-17","2023-02-07","(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate",""],["A1ANE","5-phenyl-1,3,4-oxadiazol-2-ol","C8 H6 N2 O2","Oc1nnc(o1)c1ccccc1;Oc1oc(nn1)c2ccccc2;c1ccc(cc1)c2nnc(o2)O","InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)","","2024-04-15","2024-04-19","5-phenyl-1,3,4-oxadiazol-2-ol","2024-04-24"],["ZQF","2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid","C38 H42 N4 O10 S2","O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1;CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CCNC(=O)c3ccc(N[S](=O)(=O)c4ccc(CCCC)cc4)c(c3)C(O)=O)cc2C(O)=O;CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)C(=O)NCCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCCC","InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48)","","2023-03-20","2024-04-19","2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid","2024-04-24"],["A1ANQ","(4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile","C23 H22 N8 O2","N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NC(c1ccc2OCC(=O)Nc2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(C)c3C#N)c4ccc5OCC(=O)Nc5c4;CC(C)C(c1ccc2c(c1)NC(=O)CO2)Nc3c4cc([nH]c4ncn3)c5cnn(c5C#N)C","InChI=1S/C23H22N8O2/c1-12(2)21(13-4-5-19-17(6-13)28-20(32)10-33-19)30-23-14-7-16(29-22(14)25-11-26-23)15-9-27-31(3)18(15)8-24/h4-7,9,11-12,21H,10H2,1-3H3,(H,28,32)(H2,25,26,29,30)/t21-/m0/s1","","2024-04-16","2024-05-10","(4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile","2024-05-15"],["A1IKZ","1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione","C42 H52 N13 O22 P3 S3","CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O[P](S)(=O)OC[C]45CO[CH]([CH](O4)n6cnc7c(N)ncnc67)[CH]5O[P](S)(=O)OC[CH]8O[CH](C[CH]8O)N9C=CC(=NC9=O)N)CO[P](S)(=O)O[CH]%10[CH]%11OC[C]%10(CO)O[CH]%11N%12C=C(C)C(=O)NC%12=O)C(=O)N=C1N;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)CO)OP(=O)(OCC45COC(C4OP(=O)(OCC67COC(C6OP(=O)(OCC8C(CC(O8)N9C=CC(=NC9=O)N)O)S)C(O7)n1cnc2c1ncnc2N)S)C(O5)N1C=C(C(=NC1=O)N)C)S","InChI=1S/C42H52N13O22P3S3/c1-17-6-53(38(60)50-30(17)44)35-25-28(41(73-35,11-66-25)13-69-79(63,82)75-27-24-34(72-40(27,9-56)10-65-24)54-7-18(2)33(58)51-39(54)61)77-80(64,83)70-14-42-12-67-26(36(74-42)55-16-48-23-31(45)46-15-47-32(23)55)29(42)76-78(62,81)68-8-20-19(57)5-22(71-20)52-4-3-21(43)49-37(52)59/h3-4,6-7,15-16,19-20,22,24-29,34-36,56-57H,5,8-14H2,1-2H3,(H,62,81)(H,63,82)(H,64,83)(H2,43,49,59)(H2,44,50,60)(H2,45,46,47)(H,51,58,61)/t19-,20+,22-,24-,25+,26-,27-,28+,29?,34-,35+,36-,40-,41+,42+,78+,79+,80+/m0/s1","","2024-08-14","2025-08-15","1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione","2025-08-20"],["A1AGR","(1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C27 H42 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C[CH]2C[CH]3C[CH]2C=C3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CC4CC3C=C4","InChI=1S/C27H42N4O9S/c1-15(2)9-21(25(34)29-22(26(35)41(37,38)39)12-18-7-8-28-24(18)33)30-27(36)40-14-20-5-6-23(32)31(20)13-19-11-16-3-4-17(19)10-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26+/m1/s1","","2024-02-29","2024-09-27","(1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["XJQ","N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-(4-{[(3S)-oxolan-3-yl]methyl}piperazin-1-yl)quinazolin-3(4H)-yl]acetamide","C26 H29 Cl2 N5 O3","Clc1ccc(cc1Cl)CNC(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC2CCOC2)CC1;Clc1ccc(CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C[CH]5CCOC5)cc1Cl;c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)CC5CCOC5)Cl)Cl","InChI=1S/C26H29Cl2N5O3/c27-22-3-1-18(11-23(22)28)13-29-25(34)15-33-17-30-24-4-2-20(12-21(24)26(33)35)32-8-6-31(7-9-32)14-19-5-10-36-16-19/h1-4,11-12,17,19H,5-10,13-16H2,(H,29,34)/t19-/m0/s1","","2023-06-07","2024-12-13","N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-(4-{[(3S)-oxolan-3-yl]methyl}piperazin-1-yl)quinazolin-3(4H)-yl]acetamide","2024-12-18"],["G35","(5R)-5-carbamimidamido-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazolidine-2,4-dione","C9 H16 N5 O8 P","NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C(C(=O)NC2=O)NC(=N)N)COP(=O)(O)O)O","InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6+/m0/s1","","2010-02-24","2011-06-04","[(2R,3S,5R)-5-[(5R)-5-carbamimidamido-2,4-dioxo-imidazolidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",""],["A1CGC","(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide","C20 H14 N4 O2","O=C(/C=C/c1ccncc1)Nc1cc2nc(oc2cc1)c1ccccn1;O=C(Nc1ccc2oc(nc2c1)c3ccccn3)C=Cc4ccncc4;c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)C=Cc4ccncc4","InChI=1S/C20H14N4O2/c25-19(7-4-14-8-11-21-12-9-14)23-15-5-6-18-17(13-15)24-20(26-18)16-3-1-2-10-22-16/h1-13H,(H,23,25)/b7-4+","","2025-06-11","2025-08-08","(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide","2025-08-13"],["A1ANR","4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C24 H30 N6 O3 S","CN1CC(C1)NC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)C(=O)NC3CN(C)C3)c4ccc5CCC[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)C(=O)NC5CN(C5)C","InChI=1S/C24H30N6O3S/c1-14(2)21(16-7-6-15-5-4-8-34(32,33)20(15)9-16)29-23-18-10-19(28-22(18)25-13-26-23)24(31)27-17-11-30(3)12-17/h6-7,9-10,13-14,17,21H,4-5,8,11-12H2,1-3H3,(H,27,31)(H2,25,26,28,29)/t21-/m0/s1","","2024-04-16","2024-05-10","4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2024-05-15"],["A1AGU","(1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C27 H42 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CC(=O)N(CC2CC3CC2C=C3)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CN(C[CH]2C[CH]3C[CH]2C=C3)C(=O)C1)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC(=O)N(C2)CC3CC4CC3C=C4","InChI=1S/C27H42N4O9S/c1-15(2)7-21(25(34)29-22(26(35)41(37,38)39)11-19-5-6-28-24(19)33)30-27(36)40-14-17-10-23(32)31(12-17)13-20-9-16-3-4-18(20)8-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19+,20+,21+,22+,26-/m1/s1","","2024-02-29","2024-09-27","(1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["G36","O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C12 H18 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCC)N)CC3O;CCOc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCOc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H18N5O7P/c1-2-22-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(18)7(24-8)4-23-25(19,20)21/h5-8,18H,2-4H2,1H3,(H2,13,15,16)(H2,19,20,21)/t6-,7+,8+/m0/s1","","1994-01-31","2011-06-04","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-ethoxy-9H-purin-2-amine",""],["XJR","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide","C20 H21 N3 O4","COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1;CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)COc3ccc(cc3)OC","InChI=1S/C20H21N3O4/c1-14-19(20(25)23(22(14)2)15-7-5-4-6-8-15)21-18(24)13-27-17-11-9-16(26-3)10-12-17/h4-12H,13H2,1-3H3,(H,21,24)","N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide","2023-11-03","2024-03-01","~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide","2024-03-06"],["A1ILF","(3Z)-18-(4-aminocyclohexyl)-21-[4-(4-amino-1-piperidyl)-1-piperidyl]-7-chloro-10-hydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one","C34 H47 Cl N8 O4 S2","N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CC[CH](CC5)N6CC[CH](N)CC6)c(c4)C2=O)Sc7c(Cl)ccc(O)c37;c1cc(c2c(c1O)N3CCCCCN(C(=O)c4cc(cnc4N5CCC(CC5)N6CCC(CC6)N)S(=O)(=O)N=C3S2)C7CCC(CC7)N)Cl","InChI=1S/C34H47ClN8O4S2/c35-28-8-9-29(44)30-31(28)48-34-39-49(46,47)26-20-27(32(38-21-26)41-18-12-24(13-19-41)40-16-10-23(37)11-17-40)33(45)42(14-2-1-3-15-43(30)34)25-6-4-22(36)5-7-25/h8-9,20-25,44H,1-7,10-19,36-37H2/b39-34-/t22-,25+","","2024-08-15","2025-04-11","","2025-04-16"],["ZQG","3-(1H-imidazol-2-yl)propan-1-amine","C6 H11 N3","NCCCc1ncc[NH]1;NCCCc1[nH]ccn1;c1cnc([nH]1)CCCN","InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)","","2021-05-19","2021-06-04","3-(1H-imidazol-2-yl)propan-1-amine","2021-06-09"],["A1CHB","N-{5-[(R)-amino(hydroxy)(methyl)-lambda~4~-sulfanyl]-4-methyl-1,3-thiazol-2-yl}-2-(2',5'-difluoro[1,1'-biphenyl]-4-yl)-N-methylacetamide","C20 H21 F2 N3 O2 S2","Cc1nc(sc1S(C)(N)O)N(C)C(=O)Cc1ccc(cc1)c1cc(F)ccc1F;CN(C(=O)Cc1ccc(cc1)c2cc(F)ccc2F)c3sc(c(C)n3)[S](C)(N)O;Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3cc(ccc3F)F)S(C)(N)O","InChI=1S/C20H21F2N3O2S2/c1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22/h4-9,11,27H,10,23H2,1-3H3","","2025-06-20","2025-12-26","N-{5-[(R)-amino(hydroxy)(methyl)-lambda~4~-sulfanyl]-4-methyl-1,3-thiazol-2-yl}-2-(2',5'-difluoro[1,1'-biphenyl]-4-yl)-N-methylacetamide","2025-12-31"],["XJS","2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate)","C38 H63 N8 O20 P3","O=C(N(CC)CC)CCC(=O)NCCCN(C(=O)CCC(=O)NCC#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CCCNC(=O)CCC(=O)N(CC)CC;CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C38H63N8O20P3/c1-5-43(6-2)33(51)16-13-31(49)40-20-10-22-45(23-11-21-41-32(50)14-17-34(52)44(7-3)8-4)35(53)18-15-30(48)39-19-9-12-27-25-46(38(55)42-37(27)54)36-24-28(47)29(64-36)26-63-68(59,60)66-69(61,62)65-67(56,57)58/h25,28-29,36,47H,5-8,10-11,13-24,26H2,1-4H3,(H,39,48)(H,40,49)(H,41,50)(H,59,60)(H,61,62)(H,42,54,55)(H2,56,57,58)/t28-,29+,36+/m0/s1","","2010-09-20","2011-06-04","2'-deoxy-5-[12-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-3-ethyl-4,7,13,16-tetraoxo-3,8,12,17-tetraazaicos-19-yn-20-yl]uridine 5'-(tetrahydrogen triphosphate)",""],["A1CHF","(1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name)","C25 H32 F5 N5 O4","FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(C=N)CC1CCNC1=O)C1C=CC2C1(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]3C=C[CH]2C3(F)F)[CH]1C(=O)N[CH](C[CH]4CCNC4=O)C=N;CC(C)(C)C(C(=O)N1CC2C3C=CC(C2C1C(=O)NC(CC4CCNC4=O)C=N)C3(F)F)NC(=O)C(F)(F)F","InChI=1S/C25H32F5N5O4/c1-23(2,3)18(34-22(39)25(28,29)30)21(38)35-10-13-14-4-5-15(24(14,26)27)16(13)17(35)20(37)33-12(9-31)8-11-6-7-32-19(11)36/h4-5,9,11-18,31H,6-8,10H2,1-3H3,(H,32,36)(H,33,37)(H,34,39)/b31-9-/t11-,12+,13+,14-,15+,16+,17-,18+/m0/s1","","2025-06-26","2026-02-06","(1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1Z,2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3-carboxamide (non-preferred name)","2026-02-11"],["G37","2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID\n3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE","C42 H47 N7 O5 S","O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)NC(Cc3ccccc3)C(O)CC(=O)NCc4nc5ccccc5n4)(C)C)Cc6ccccc6;CC1(C)S[CH](N[CH]1C(=O)N[CH](Cc2ccccc2)[CH](O)CC(=O)NCc3[nH]c4ccccc4n3)[CH](NC(=O)Cc5ccccc5)C(=O)NCc6ccccc6;CC1(C(NC(S1)C(C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)NC(Cc4ccccc4)C(CC(=O)NCc5[nH]c6ccccc6n5)O)C","InChI=1S/C42H47N7O5S/c1-42(2)38(49-41(55-42)37(39(53)44-25-29-18-10-5-11-19-29)48-36(52)23-28-16-8-4-9-17-28)40(54)47-32(22-27-14-6-3-7-15-27)33(50)24-35(51)43-26-34-45-30-20-12-13-21-31(30)46-34/h3-21,32-33,37-38,41,49-50H,22-26H2,1-2H3,(H,43,51)(H,44,53)(H,45,46)(H,47,54)(H,48,52)/t32-,33-,37-,38+,41-/m1/s1","GR137615","1999-07-08","2020-06-17","(2R,4S)-N-{(1R,2R)-4-[(1H-benzimidazol-2-ylmethyl)amino]-1-benzyl-2-hydroxy-4-oxobutyl}-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (non-preferred name)",""],["ZQH","[(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone","C32 H40 N2 O","CC1(C)CN(CCC1N)C(=O)C12CC3CC(CC(C1)C/3=CCc1ccccc1)(C2)c1ccccc1;CC1(C)CN(CC[CH]1N)C(=O)C23C[CH]4C[C](C[CH](C2)[C]4=[CH]Cc5ccccc5)(C3)c6ccccc6;CC1(CN(CCC1N)C(=O)C23CC4CC(C2)(CC(C3)C4=CCc5ccccc5)c6ccccc6)C","InChI=1S/C32H40N2O/c1-30(2)22-34(16-15-28(30)33)29(35)32-19-24-17-31(21-32,26-11-7-4-8-12-26)18-25(20-32)27(24)14-13-23-9-5-3-6-10-23/h3-12,14,24-25,28H,13,15-22,33H2,1-2H3/b27-14-/t24-,25+,28+,31+,32-/m0/s1","","2023-07-01","2023-08-04","[(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone","2023-08-09"],["A1ILQ","(2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid","C15 H18 N2 O3 S","N[CH](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C(O)=O;c1ccc(cc1)CC2=CC(=SC2)C(=O)NCC(C(=O)O)N","InChI=1S/C15H18N2O3S/c16-12(15(19)20)8-17-14(18)13-7-11(9-21-13)6-10-4-2-1-3-5-10/h1-5,7,12,21H,6,8-9,16H2,(H,17,18)(H,19,20)/t12-/m1/s1","","2024-08-19","2024-11-22","(2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid","2024-11-27"],["A1AGV","(1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C27 H42 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CC(=O)N(CC2CC3CC2C=C3)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CN(C[CH]2C[CH]3C[CH]2C=C3)C(=O)C1)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC(=O)N(C2)CC3CC4CC3C=C4","InChI=1S/C27H42N4O9S/c1-15(2)7-21(25(34)29-22(26(35)41(37,38)39)11-19-5-6-28-24(19)33)30-27(36)40-14-17-10-23(32)31(12-17)13-20-9-16-3-4-18(20)8-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19+,20+,21+,22+,26+/m1/s1","","2024-02-29","2024-09-27","(1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["A1ANV","7-[(1R)-1-{[6-(methanesulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","C20 H24 N4 O4 S2","CS(=O)(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)[S](C)(=O)=O)c3ccc4CCC[S](=O)(=O)c4c3;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)S(=O)(=O)C","InChI=1S/C20H24N4O4S2/c1-12(2)18(14-7-6-13-5-4-8-30(27,28)16(13)9-14)24-20-15-10-17(29(3,25)26)23-19(15)21-11-22-20/h6-7,9-12,18H,4-5,8H2,1-3H3,(H2,21,22,23,24)/t18-/m1/s1","","2024-04-17","2024-05-10","7-[(1R)-1-{[6-(methanesulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","2024-05-15"],["A1ILR","(2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid","C8 H12 N2 O3 S","N[CH](CNC(=O)C1=[SH]CC=C1)C(O)=O;C1C=CC(=S1)C(=O)NCC(C(=O)O)N","InChI=1S/C8H12N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-2,5,14H,3-4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1","","2024-08-19","2024-11-22","(2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid","2024-11-27"],["G38","3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C10 H15 N6 O6 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(N)C3)COP(=O)(O)O;N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)N)N=C(NC2=O)N","InChI=1S/C10H15N6O6P/c11-4-1-6(22-5(4)2-21-23(18,19)20)16-3-13-7-8(16)14-10(12)15-9(7)17/h3-6H,1-2,11H2,(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1","","1998-01-28","2011-06-04","3'-amino-2',3'-dideoxyguanosine 5'-(dihydrogen phosphate)",""],["A1AGY","(1R,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H44 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CCCCC1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CCCCC3","InChI=1S/C26H44N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h16-21,25,34H,3-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19+,20-,21-,25+/m0/s1","","2024-02-29","2024-09-27","(1R,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["A1CHT","(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonine","C10 H13 N O5","OC(c1ccc(O)cc1)C(O)C(N)C(=O)O;N[CH]([CH](O)[CH](O)c1ccc(O)cc1)C(O)=O;c1cc(ccc1C(C(C(C(=O)O)N)O)O)O","InChI=1S/C10H13NO5/c11-7(10(15)16)9(14)8(13)5-1-3-6(12)4-2-5/h1-4,7-9,12-14H,11H2,(H,15,16)/t7-,8-,9-/m0/s1","","2025-07-02","2026-04-17","(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonine","2026-04-22"],["XJT","3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid","C23 H23 F3 N4 O4","Nc1nc(c2cc(ccc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;Nc1nc(N)c(OCCCOc2ccccc2CCC(O)=O)c(n1)c3cccc(c3)C(F)(F)F;c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(nc2N)N)c3cccc(c3)C(F)(F)F","InChI=1S/C23H23F3N4O4/c24-23(25,26)16-7-3-6-15(13-16)19-20(21(27)30-22(28)29-19)34-12-4-11-33-17-8-2-1-5-14(17)9-10-18(31)32/h1-3,5-8,13H,4,9-12H2,(H,31,32)(H4,27,28,29,30)","","2022-11-23","2023-12-08","3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid","2023-12-13"],["A1AOB","4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C25 H32 N6 O3 S","CN1CCC(C1)NC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)C(=O)N[CH]3CCN(C)C3)c4ccc5CCC[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)C(=O)NC5CCN(C5)C","InChI=1S/C25H32N6O3S/c1-15(2)22(17-7-6-16-5-4-10-35(33,34)21(16)11-17)30-24-19-12-20(29-23(19)26-14-27-24)25(32)28-18-8-9-31(3)13-18/h6-7,11-12,14-15,18,22H,4-5,8-10,13H2,1-3H3,(H,28,32)(H2,26,27,29,30)/t18-,22-/m1/s1","","2024-04-18","2024-05-10","4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2024-05-15"],["ZQJ","2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one","C8 H11 N3 O","O=C1C=C2CNCCC2=NN1C;CN1N=C2CCNCC2=CC1=O;CN1C(=O)C=C2CNCCC2=N1","InChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3","","2021-05-19","2021-06-04","2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one","2021-06-09"],["G39","(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C14 H24 N2 O4","O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1;CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O","InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1","Oseltamivir carboxylate","1999-07-08","2020-06-17","(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid",""],["A1AGZ","(1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H44 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CCCCC1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CCCCC3","InChI=1S/C26H44N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h16-21,25,34H,3-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19+,20-,21-,25-/m0/s1","","2024-02-29","2024-09-27","(1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2024-07-10"],["A1AOV","(3R)-1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2S)-1-{[(1P,8R,10R,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylpyrrolidine-3-carboxamide (non-preferred name)","C56 H76 N8 O7","CN(C)C(C)(C)/C=C/C(=O)N1CCC(C1)C(=O)N(C)C(C(C)C)C(=O)NC1Cc2cccc(c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC;CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5cccc3c5)NC(=O)[CH](C(C)C)N(C)C(=O)[CH]6CCN(C6)C(=O)C=CC(C)(C)N(C)C)c1c7cccnc7[CH](C)OC;CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN(N5)C(=O)C(Cc6cccc3c6)NC(=O)C(C(C)C)N(C)C(=O)C7CCN(C7)C(=O)C=CC(C)(C)N(C)C)(C)C","InChI=1S/C56H76N8O7/c1-13-63-46-22-21-39-31-42(46)43(50(63)41-19-15-26-57-48(41)36(4)70-12)32-55(5,6)34-71-54(69)44-20-16-27-64(59-44)53(68)45(30-37-17-14-18-38(39)29-37)58-51(66)49(35(2)3)61(11)52(67)40-24-28-62(33-40)47(65)23-25-56(7,8)60(9)10/h14-15,17-19,21-23,25-26,29,31,35-36,40,44-45,49,59H,13,16,20,24,27-28,30,32-34H2,1-12H3,(H,58,66)/b25-23-/t36-,40+,44+,45+,49+/m1/s1","","2024-04-19","2025-02-28","(3R)-1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2S)-1-{[(1P,8R,10R,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylpyrrolidine-3-carboxamide (non-preferred name)","2025-03-05"],["ZQK","Dehydroepiandrosterone sulfate","C19 H28 O5 S","O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1;C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](O)(=O)=O)[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C","InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14+,15+,16+,18+,19+/m1/s1","17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate","2023-03-20","2023-07-21","17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate","2023-07-26"],["A1ILU","~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide","C27 H35 Cl N4 O3","CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](C3)NC(=O)N[CH]4CCNC4)cc2;CCC(=O)N(c1ccc(cc1)OC2CCC(C2)NC(=O)NC3CCNC3)C(C)c4ccc(cc4)Cl","InChI=1S/C27H35ClN4O3/c1-3-26(33)32(18(2)19-4-6-20(28)7-5-19)23-9-12-24(13-10-23)35-25-11-8-21(16-25)30-27(34)31-22-14-15-29-17-22/h4-7,9-10,12-13,18,21-22,25,29H,3,8,11,14-17H2,1-2H3,(H2,30,31,34)/t18-,21+,22-,25+/m0/s1","","2024-08-20","2024-12-13","~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide","2024-12-18"],["XJU","3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide","C22 H23 Cl2 N3 O3","Clc1ccc(CCC(=O)NC2Cc3ccccc3CN(CC(=O)NC)C2=O)c(Cl)c1;CNC(=O)CN1Cc2ccccc2C[CH](NC(=O)CCc3ccc(Cl)cc3Cl)C1=O;CNC(=O)CN1Cc2ccccc2CC(C1=O)NC(=O)CCc3ccc(cc3Cl)Cl","InChI=1S/C22H23Cl2N3O3/c1-25-21(29)13-27-12-16-5-3-2-4-15(16)10-19(22(27)30)26-20(28)9-7-14-6-8-17(23)11-18(14)24/h2-6,8,11,19H,7,9-10,12-13H2,1H3,(H,25,29)(H,26,28)","","2023-06-07","2024-12-13","3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide","2024-12-18"],["A1CI6","Icotinib","C22 H21 N3 O4","C#Cc1cc(ccc1)Nc1ncnc2cc3OCCOCCOCCOc3cc21;C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1;C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOCCOCCO4","InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)","N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine","2025-07-23","2025-12-05","N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine","2025-12-10"],["A1IMA","(3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one","C28 H36 Cl N7 O4 S2","N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CCNCC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36;c1cc(c2c(c1O)N3CCCCCN(C(=O)c4cc(cnc4N5CCNCC5)S(=O)(=O)N=C3S2)C6CCC(CC6)N)Cl","InChI=1S/C28H36ClN7O4S2/c29-22-8-9-23(37)24-25(22)41-28-33-42(39,40)20-16-21(26(32-17-20)34-14-10-31-11-15-34)27(38)35(12-2-1-3-13-36(24)28)19-6-4-18(30)5-7-19/h8-9,16-19,31,37H,1-7,10-15,30H2/b33-28-/t18-,19+","","2024-08-20","2025-04-11","","2025-04-16"],["ZQM","N-{2-[(propan-2-yl)sulfanyl]phenyl}urea","C10 H14 N2 O S","CC(C)Sc1ccccc1NC(N)=O;CC(C)Sc1ccccc1NC(N)=O;CC(C)Sc1ccccc1NC(=O)N","InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)","","2021-05-19","2021-06-04","N-{2-[(propan-2-yl)sulfanyl]phenyl}urea","2021-06-09"],["G3A","GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE","C20 H27 N10 O17 P3","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N","InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","","2007-04-03","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate",""],["A1APA","cobicistat","C40 H53 N7 O5 S2","CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(Cc2ccccc2)CCC(Cc2ccccc2)NC(=O)OCc2cncs2)cs1;CC(C)c1scc(CN(C)C(=O)N[CH](CCN2CCOCC2)C(=O)N[CH](CC[CH](Cc3ccccc3)NC(=O)OCc4scnc4)Cc5ccccc5)n1;CC(C)c1nc(cs1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(Cc3ccccc3)NC(=O)OCc4cncs4)Cc5ccccc5","InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1","(1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate","2024-04-20","2024-06-28","(1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate","2024-07-03"],["A1AHA","TMC-95B","C33 H40 N6 O10","CCCNC(=O)[CH]1NC(=O)[CH](CC(N)=O)NC(=O)[CH](Cc2ccc(O)c(c2)c3cccc4c3NC(=O)[C]4(O)[CH]1O)NC(=O)C(=O)[CH](C)CC;CCCNC(=O)C1C(C2(c3cccc(c3NC2=O)-c4cc(ccc4O)CC(C(=O)NC(C(=O)N1)CC(=O)N)NC(=O)C(=O)C(C)CC)O)O","InChI=1S/C33H40N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h6-10,12,15,20-21,25,27,40,43,49H,4-5,11,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/t15-,20-,21+,25+,27-,33-/m0/s1","","2024-03-06","2025-03-14","","2025-03-19"],["A1CI9","N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide","C14 H15 N3 O","O=C(Nc1ccc(cc1)C(C)C)c1cnccn1;CC(C)c1ccc(NC(=O)c2cnccn2)cc1;CC(C)c1ccc(cc1)NC(=O)c2cnccn2","InChI=1S/C14H15N3O/c1-10(2)11-3-5-12(6-4-11)17-14(18)13-9-15-7-8-16-13/h3-10H,1-2H3,(H,17,18)","","2025-07-23","2025-11-21","N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide","2025-11-26"],["XJV","imidazolidin-2-one","C3 H6 N2 O","O=C1NCCN1;O=C1NCCN1;C1CNC(=O)N1","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","","2020-12-17","2021-06-18","imidazolidin-2-one","2021-06-23"],["ZQN","N-(TERT-BUTYLOXYCARBONYL)-VALINE","C10 H19 N O4","CC(C)[CH](NC(=O)OC(C)(C)C)C(O)=O;CC(C)C(C(=O)O)NC(=O)OC(C)(C)C","InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1","N-BOC-VALINE","2024-01-22","2024-09-27","3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid","2024-05-29"],["A1IMB","(3E,15S)-17-(cis-4-aminocyclohexyl)-7-chloro-10,15,20-trihydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,17-triazatetracyclo[17.3.1.04,12.06,11]tricosa-1(22),3,6(11),7,9,19(23),20-heptaen-18-one","C24 H27 Cl N4 O6 S2","N[CH]1CC[CH](CC1)N2C[CH](O)CCN3C(=N[S](=O)(=O)c4ccc(O)c(c4)C2=O)Sc5c(Cl)ccc(O)c35;c1cc(c2cc1S(=O)(=O)N=C3N(CCC(CN(C2=O)C4CCC(CC4)N)O)c5c(ccc(c5S3)Cl)O)O","InChI=1S/C24H27ClN4O6S2/c25-18-6-8-20(32)21-22(18)36-24-27-37(34,35)16-5-7-19(31)17(11-16)23(33)29(12-15(30)9-10-28(21)24)14-3-1-13(26)2-4-14/h5-8,11,13-15,30-32H,1-4,9-10,12,26H2/b27-24-/t13-,14+,15-/m0/s1","","2024-08-20","2025-04-11","","2025-04-16"],["A1APB","2-O-sulfo-beta-D-galactopyranose","C6 H12 O9 S","OC1OC(CO)C(O)C(O)C1OS(=O)(=O)O;OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)O)O","InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1","","2024-04-20","2025-08-22","2-O-sulfo-beta-D-galactopyranose","2025-08-27"],["A1CLE","1'-methylspiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one","C14 H17 N O2","O=C1CC2(CCN(C)CC2)Oc2ccccc21;CN1CCC2(CC1)CC(=O)c3ccccc3O2;CN1CCC2(CC1)CC(=O)c3ccccc3O2","InChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3","","2025-08-01","2026-01-16","1'-methylspiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one","2026-01-21"],["G3B","2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole","C18 H14 N2 O3 S","O=S(c4ccc(c1c2cc(ccc2oc1)c3nnc(o3)C)cc4)C;Cc1oc(nn1)c2ccc3occ(c4ccc(cc4)[S](C)=O)c3c2;Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)S(=O)C","InChI=1S/C18H14N2O3S/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3/t24-/m0/s1","","2009-02-19","2011-06-04","2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole",""],["XJW","4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid","C11 H9 N O2","CC=C(C#N)c1ccc(cc1)C(O)=O;CC=C(C#N)c1ccc(cc1)C(=O)O","InChI=1S/C11H9NO2/c1-2-8(7-12)9-3-5-10(6-4-9)11(13)14/h2-6H,1H3,(H,13,14)","","2023-11-03","2024-11-08","4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid","2024-11-13"],["A1AHB","(1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide","C44 H58 N8 O5 S","CN1CCN(CC1)c1cc(c(nc1)C(C)OC)c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1CC1C;CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5scc3n5)NC(=O)[CH]6C[CH]6C)c1c7cc(cnc7[CH](C)OC)N8CCN(C)CC8;CCn1c2ccc-3cc2c(c1c4cc(cnc4C(C)OC)N5CCN(CC5)C)CC(COC(=O)C6CCCN(N6)C(=O)C(Cc7nc3cs7)NC(=O)C8CC8C)(C)C","InChI=1S/C44H58N8O5S/c1-8-51-37-12-11-28-19-31(37)33(40(51)32-20-29(23-45-39(32)27(3)56-7)50-16-14-49(6)15-17-50)22-44(4,5)25-57-43(55)34-10-9-13-52(48-34)42(54)35(21-38-46-36(28)24-58-38)47-41(53)30-18-26(30)2/h11-12,19-20,23-24,26-27,30,34-35,48H,8-10,13-18,21-22,25H2,1-7H3,(H,47,53)/t26-,27+,30+,34+,35-/m0/s1","","2024-03-06","2024-04-12","(1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide (non-preferred name)","2024-04-17"],["A1CLF","1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one","C18 H19 N O2","O=C1CC2(CCN(C)CC2)Oc2c1ccc1ccccc21;CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2;CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2","InChI=1S/C18H19NO2/c1-19-10-8-18(9-11-19)12-16(20)15-7-6-13-4-2-3-5-14(13)17(15)21-18/h2-7H,8-12H2,1H3","","2025-08-01","2026-01-16","1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one","2026-01-21"],["A1APR","(9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one","C23 H23 F N8 O","Cc1c(N)cncc1c1cc2cc(ncc2c(N)c1F)Nc1cc2CCN(C)C(=O)Cn2n1;CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)c5cncc(N)c5C)nn2CC1=O;Cc1c(cncc1N)c2cc3cc(ncc3c(c2F)N)Nc4cc5n(n4)CC(=O)N(CC5)C","InChI=1S/C23H23FN8O/c1-12-16(8-27-10-18(12)25)15-5-13-6-19(28-9-17(13)23(26)22(15)24)29-20-7-14-3-4-31(2)21(33)11-32(14)30-20/h5-10H,3-4,11,25-26H2,1-2H3,(H,28,29,30)","","2024-04-25","2024-09-27","(9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one","2024-10-02"],["G3C","(1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol","C16 H16 Cl N O3","Oc1ccc(cc1)[CH]2CNCCc3c(Cl)c(O)c(O)cc23;c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O","InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1","","2020-07-21","2021-02-26","(1~{R})-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-3-benzazepine-7,8-diol","2021-03-03"],["XJX","Onalespib","C24 H31 N3 O3","O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccc(cc2C3)CN4CCN(CC4)C;CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2;CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C","InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3","AT13387","2010-07-06","2020-06-17","[2,4-dihydroxy-5-(propan-2-yl)phenyl]{5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone",""],["ZQQ","N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide","C25 H35 N9 O4","O=C(Nc1cc(C(=O)Nc2cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c2)n(C)c1)c1nccn1C;CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=O)NCCCN(C)C","InChI=1S/C25H35N9O4/c1-31(2)11-6-8-26-21(35)7-9-28-23(36)19-13-17(15-33(19)4)29-24(37)20-14-18(16-34(20)5)30-25(38)22-27-10-12-32(22)3/h10,12-16H,6-9,11H2,1-5H3,(H,26,35)(H,28,36)(H,29,37)(H,30,38)","","2023-07-03","2023-12-15","N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide","2023-12-20"],["A1IMF","hexavanadate (V6-OH) polyoxometalate","C10 H18 O21 V6","OCC12C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O[V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C[O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10C2;C1C2(C[O-]3[V+2]456(=O)[O-]1[V+2]789(=O)[O-]414%10[V+2]33(=O)([O-]7C2)O[V+2]11(=O)(O5)[O-]2[V+2]4(=O)(O6)(O8)[O-]4[V+2]%10(=O)(O9)(O3)[O-]1CC(C2)(C4)CO)CO","InChI=1S/2C5H9O4.13O.6V/c2*6-1-5(2-7,3-8)4-9;;;;;;;;;;;;;;;;;;;/h2*6H,1-4H2;;;;;;;;;;;;;;;;;;;/q2*-3;;;;;;;;;;;;;-1;6*+2","","2024-08-21","2025-01-24","","2025-01-29"],["A1AHE","N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide","C22 H18 F2 N4 O5 S","CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(cc3OC2=O)Oc2ncccc2F)c1F;CN[S](=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccc4F)cc3OC2=O)c1F;CC1=C(C(=O)Oc2c1ccc(c2)Oc3c(cccn3)F)Cc4ccnc(c4F)NS(=O)(=O)NC","InChI=1S/C22H18F2N4O5S/c1-12-15-6-5-14(32-21-17(23)4-3-8-27-21)11-18(15)33-22(29)16(12)10-13-7-9-26-20(19(13)24)28-34(30,31)25-2/h3-9,11,25H,10H2,1-2H3,(H,26,28)","","2024-03-07","2024-04-12","N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide","2024-04-17"],["A1AHF","N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide","C46 H89 N O8","CCCCCCCCCCCCCCCC(=O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(=O)CCCCCCCCCCCCCCC","InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,41,43-46,48,51-53H,3-38H2,1-2H3,(H,47,50)/t39-,41-,43+,44+,45+,46-/m0/s1","","2024-03-07","2024-04-19","N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide","2024-04-24"],["A1CMZ","4-amino-N'-(cyclopropanecarbonyl)-N',1-dimethyl-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carbohydrazide","C24 H22 F3 N7 O2","FC(F)(F)c1ccc(nc1)CN(N(C)C(=O)C1CC1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1;Cn1ncc2c(N)nc3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N(C)C(=O)C5CC5;Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N(C)C(=O)C5CC5","InChI=1S/C24H22F3N7O2/c1-32-20-17-9-14(5-8-19(17)31-21(28)18(20)11-30-32)23(36)34(33(2)22(35)13-3-4-13)12-16-7-6-15(10-29-16)24(25,26)27/h5-11,13H,3-4,12H2,1-2H3,(H2,28,31)","","2025-08-07","2026-01-02","4-amino-N'-(cyclopropanecarbonyl)-N',1-dimethyl-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carbohydrazide","2026-01-07"],["A1APV","Naloxone","C19 H21 N O4","O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54;Oc1ccc2C[CH]3N(CC[C]45[CH](Oc1c24)C(=O)CC[C]35O)CC=C;C=CCN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)O","InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1","3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one","2024-04-26","2024-07-12","3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one","2024-07-17"],["ZQS","(4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine","C14 H15 N5 S2","NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1;NC1=N[C]2(CN(C[CH]2CS1)c3ncccn3)c4sccc4;c1cc(sc1)C23CN(CC2CSC(=N3)N)c4ncccn4","InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1","","2021-05-21","2021-07-16","(4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine","2021-07-21"],["XJY","cyclobutylboronic acid","C4 H9 B O2","OB(O)C1CCC1;OB(O)C1CCC1;B(C1CCC1)(O)O","InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2","","2020-12-17","2021-06-18","cyclobutylboronic acid","2021-06-23"],["G3D","GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE","C10 H16 N5 O14 P3","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","2002-09-23","2011-06-04","guanosine 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)",""],["A1IMT","(2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one","C32 H37 Cl N6 O3","COc1c(Cl)cccc1N[CH]2[CH](NC3=C2C(=O)NCC3)c4ccncc4C#C[C]5(C)CCCN5C(=O)C=CCN(C)C;CC1(CCCN1C(=O)C=CCN(C)C)C#Cc2cnccc2C3C(C4=C(N3)CCNC4=O)Nc5cccc(c5OC)Cl","InChI=1S/C32H37ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,28-29,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6-/t28-,29+,32-/m1/s1","","2024-08-27","2025-05-09","(2~{R},3~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2~{R})-1-[(~{E})-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one","2025-05-14"],["A1IMU","(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide","C27 H34 N6 O6","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O;CNC(=O)C(C(CC1CCNC1=O)NC(=O)C(CC2CC2)N3C=CC=C(C3=O)NC(=O)Nc4ccccc4)O","InChI=1S/C27H34N6O6/c1-28-25(37)22(34)20(15-17-11-12-29-23(17)35)31-24(36)21(14-16-9-10-16)33-13-5-8-19(26(33)38)32-27(39)30-18-6-3-2-4-7-18/h2-8,13,16-17,20-22,34H,9-12,14-15H2,1H3,(H,28,37)(H,29,35)(H,31,36)(H2,30,32,39)/t17-,20+,21?,22+/m1/s1","","2024-08-28","2024-09-27","(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide","2024-09-11"],["A1CNQ","(2S)-2-(4-bromophenyl)-2-(5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)acetamide","C15 H15 Br N4 O","Brc1ccc(cc1)C(C(N)=O)N1CCc2cncnc2C1;NC(=O)[CH](N1CCc2cncnc2C1)c3ccc(Br)cc3;c1cc(ccc1C(C(=O)N)N2CCc3cncnc3C2)Br","InChI=1S/C15H15BrN4O/c16-12-3-1-10(2-4-12)14(15(17)21)20-6-5-11-7-18-9-19-13(11)8-20/h1-4,7,9,14H,5-6,8H2,(H2,17,21)/t14-/m0/s1","","2025-08-15","2026-01-09","(2S)-2-(4-bromophenyl)-2-(5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)acetamide","2026-01-14"],["A1AHQ","4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-1,6-dihydropyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide","C14 H7 F6 N3 O2 S","N#Cc1cc(sc1C(F)(F)F)C(=O)NC=1C=C(F)C(=O)N(CC(F)F)C=1;FC(F)CN1C=C(NC(=O)c2sc(c(c2)C#N)C(F)(F)F)C=C(F)C1=O;c1c(c(sc1C(=O)NC2=CN(C(=O)C(=C2)F)CC(F)F)C(F)(F)F)C#N","InChI=1S/C14H7F6N3O2S/c15-8-2-7(4-23(13(8)25)5-10(16)17)22-12(24)9-1-6(3-21)11(26-9)14(18,19)20/h1-2,4,10H,5H2,(H,22,24)","","2024-03-11","2025-04-04","4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-1,6-dihydropyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide","2025-04-09"],["XJZ","3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid","C23 H23 F3 N4 O4","Nc1nc(c2ccc(cc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;Nc1nc(N)c(OCCCOc2ccccc2CCC(O)=O)c(n1)c3ccc(cc3)C(F)(F)F;c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(nc2N)N)c3ccc(cc3)C(F)(F)F","InChI=1S/C23H23F3N4O4/c24-23(25,26)16-9-6-15(7-10-16)19-20(21(27)30-22(28)29-19)34-13-3-12-33-17-5-2-1-4-14(17)8-11-18(31)32/h1-2,4-7,9-10H,3,8,11-13H2,(H,31,32)(H4,27,28,29,30)","","2022-11-23","2023-12-08","3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid","2023-12-13"],["ZQT","9H-xanthene-1,3,6,8-tetrol","C13 H10 O5","Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21;Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1;c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O","InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2","","2023-07-03","2024-07-12","9H-xanthene-1,3,6,8-tetrol","2024-07-17"],["A1AQA","[(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone","C11 H15 N3 O","CC1CCCCN1C(=O)c1cnccn1;C[CH]1CCCCN1C(=O)c2cnccn2;CC1CCCCN1C(=O)c2cnccn2","InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1","","2024-04-29","2024-05-24","[(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone","2024-05-29"],["G3E","3-hydroxyquinolin-2(1H)-one","C9 H7 N O2","O=C2C(O)=Cc1c(cccc1)N2;OC1=Cc2ccccc2NC1=O;c1ccc2c(c1)C=C(C(=O)N2)O","InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)","","2009-02-03","2011-06-04","3-hydroxyquinolin-2(1H)-one",""],["XK0","(4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine","C12 H16 N2 O S","N1=C(SCCC1(c2ccc(OC)cc2)C)N;COc1ccc(cc1)[C]2(C)CCSC(=N2)N;CC1(CCSC(=N1)N)c2ccc(cc2)OC","InChI=1S/C12H16N2OS/c1-12(7-8-16-11(13)14-12)9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,13,14)/t12-/m0/s1","","2013-03-11","2014-09-05","(4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","2013-06-19"],["A1CS2","2-[(1-methylcyclobutyl)sulfanyl]benzoic acid","C12 H14 O2 S","O=C(O)c1ccccc1SC1(C)CCC1;CC1(CCC1)Sc2ccccc2C(O)=O;CC1(CCC1)Sc2ccccc2C(=O)O","InChI=1S/C12H14O2S/c1-12(7-4-8-12)15-10-6-3-2-5-9(10)11(13)14/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)","","2025-09-10","2025-10-17","2-[(1-methylcyclobutyl)sulfanyl]benzoic acid","2025-10-22"],["A1AQF","(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile","C5 H7 N O2 S","N#CC1CCS(=O)(=O)C1;O=[S]1(=O)CC[CH](C1)C#N;C1CS(=O)(=O)CC1C#N","InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1","","2024-04-29","2024-05-24","(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile","2024-05-29"],["ZQU","Zosuquidar","C32 H31 F2 N3 O2","O[CH](COc1cccc2ncccc12)CN3CCN(CC3)C4c5ccccc5[CH]6[CH](c7ccccc47)C6(F)F;c1ccc2c(c1)C(c3ccccc3C4C2C4(F)F)N5CCN(CC5)CC(COc6cccc7c6cccn7)O","InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1","","2018-02-05","2018-02-16","","2018-02-21"],["G3F","3-deoxy-3-fluoro-beta-D-glucopyranose","C6 H11 F O5","FC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O;C(C1C(C(C(C(O1)O)O)F)O)O","InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1","3-deoxy-3-fluoro-beta-D-glucose; 3-deoxy-3-fluoro-D-glucose; 3-deoxy-3-fluoro-glucose","2010-11-16","2020-07-17","3-deoxy-3-fluoro-beta-D-glucopyranose",""],["A1AHR","(1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide","C38 H46 N6 O5","NCC1CCC(CC1)C(=O)NC1Cc2ccc(cc2)c2cc(NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC1=O)c(C)cc2;Cc1ccc2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(NC(=O)[CH](Cc4ccc2cc4)NC(=O)[CH]5CC[CH](CN)CC5)cc3;Cc1ccc-2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC(=O)C(Cc4ccc2cc4)NC(=O)C5CCC(CC5)CN","InChI=1S/C38H46N6O5/c1-24-4-11-30-21-32(24)43-36(47)23-41-34(45)3-2-18-40-35(46)20-26-9-16-31(17-10-26)42-38(49)33(19-25-5-12-28(30)13-6-25)44-37(48)29-14-7-27(22-39)8-15-29/h4-6,9-13,16-17,21,27,29,33H,2-3,7-8,14-15,18-20,22-23,39H2,1H3,(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,44,48)/t27-,29-,33-/m0/s1","","2024-03-11","2024-10-25","(1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide","2024-10-30"],["A1INB","[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-dodecanoyloxy-propan-2-yl]-tridecnoate","C30 H60 N O8 P","CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN","InChI=1S/C30H60NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-18-16-14-12-10-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1","","2024-09-03","2026-03-13","[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-dodecanoyloxy-propan-2-yl] tridecanoate","2026-03-18"],["A1AHU","4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol","C27 H25 N O5 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCCc2ccccc21;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N4CCCc5ccccc45)c6ccc(O)cc6;c1ccc2c(c1)CCCN2S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C27H25NO5S/c29-20-11-7-18(8-12-20)25-23-16-24(27(33-23)26(25)19-9-13-21(30)14-10-19)34(31,32)28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23-24,27,29-30H,3,5,15-16H2/t23-,24+,27+/m0/s1","","2024-03-11","2024-06-07","4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol","2024-06-12"],["G3G","N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)","C30 H33 N5 O4 S2","O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc(N)cc2)CNC3)Cc4ccccc4)c5ccc(N)cc5;Nc1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5ccc(N)cc5;c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N","InChI=1S/C30H33N5O4S2/c31-25-11-15-27(16-12-25)40(36,37)34(21-23-7-3-1-4-8-23)29-19-33-20-30(29)35(22-24-9-5-2-6-10-24)41(38,39)28-17-13-26(32)14-18-28/h1-18,29-30,33H,19-22,31-32H2/t29-,30-/m0/s1","","2007-05-16","2011-06-04","N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)",""],["A1AQU","N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide","C9 H12 N2 O2 S2","O=S(C)(=O)Nc1ccc(cc1)CNC=S;C[S](=O)(=O)Nc1ccc(CNC=S)cc1;CS(=O)(=O)Nc1ccc(cc1)CNC=S","InChI=1S/C9H12N2O2S2/c1-15(12,13)11-9-4-2-8(3-5-9)6-10-7-14/h2-5,7,11H,6H2,1H3,(H,10,14)","N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide bound form","2024-05-03","2024-09-27","N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide","2024-07-24"],["ZQV","5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid","C28 H25 Cl N4 O4","CC(=O)NC1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)O)c(C)cc3)[NH]c2cc1Cl;CC(=O)N[CH]1CCC(=CC1)c2ccc(cc2)c3nc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(O)=O;Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)C5=CCC(CC5)NC(=O)C)Cl","InChI=1S/C28H25ClN4O4/c1-15-3-12-21(13-22(15)27(35)36)37-28-31-24-14-23(29)25(32-26(24)33-28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)30-16(2)34/h3-8,12-14,20H,9-11H2,1-2H3,(H,30,34)(H,35,36)(H,31,32,33)/t20-/m0/s1","","2021-05-21","2022-06-24","5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid","2022-06-29"],["XK1","1-[(4R)-1,3-oxazolidin-4-yl]methanamine","C4 H10 N2 O","NCC1NCOC1;NC[CH]1COCN1;C1C(NCO1)CN","InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1","","2020-12-17","2021-06-18","1-[(4R)-1,3-oxazolidin-4-yl]methanamine","2021-06-23"],["A1CSD","(4P)-4-{3-[(1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-yl]-1-cyclopropyl-7-fluoro-4-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl}-5-ethynyl-6-fluoronaphthalen-2-ol","C29 H26 F2 N4 O","C#Cc1c2c(ccc1F)cc(O)cc2c1nc(c2c(c1F)n(nc2C1C2CNCC21)C1CC1)C(C)C;CC(C)c1nc(c(F)c2n(nc(C3[CH]4CNC[CH]34)c12)C5CC5)c6cc(O)cc7ccc(F)c(C#C)c67;CC(C)c1c2c(c(c(n1)c3cc(cc4c3c(c(cc4)F)C#C)O)F)n(nc2C5C6C5CNC6)C7CC7","InChI=1S/C29H26F2N4O/c1-4-17-21(30)8-5-14-9-16(36)10-18(22(14)17)27-25(31)29-24(26(33-27)13(2)3)28(34-35(29)15-6-7-15)23-19-11-32-12-20(19)23/h1,5,8-10,13,15,19-20,23,32,36H,6-7,11-12H2,2-3H3/t19-,20+,23+","","2025-09-04","2026-02-20","(4P)-4-{3-[(1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-yl]-1-cyclopropyl-7-fluoro-4-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl}-5-ethynyl-6-fluoronaphthalen-2-ol","2026-02-25"],["A1INE","Sulphostin","C5 H13 N4 O5 P S","N[CH]1CCCN(C1=O)[P](N)(=O)N[S](O)(=O)=O;C1CC(C(=O)N(C1)P(=O)(N)NS(=O)(=O)O)N","InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1","[azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid","2024-09-06","2025-07-11","[azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid","2025-07-16"],["A1CTF","2-{4-[(1R,2S)-2-{[(3S)-3-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)pyrrolidin-1-yl]methyl}cyclopropyl]-2-methyl-1H-1,3-benzimidazol-1-yl}-N-(2,4,6-trichlorophenyl)acetamide","C28 H32 Cl3 N5 O3 S","O=S1(=O)CCN(CC1)C1CCN(CC2CC2c2cccc3n(CC(=O)Nc4c(Cl)cc(Cl)cc4Cl)c(C)nc32)C1;Cc1nc2c(cccc2n1CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)[CH]4C[CH]4CN5CC[CH](C5)N6CC[S](=O)(=O)CC6;Cc1nc2c(cccc2n1CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)C4CC4CN5CCC(C5)N6CCS(=O)(=O)CC6","InChI=1S/C28H32Cl3N5O3S/c1-17-32-27-21(22-11-18(22)14-34-6-5-20(15-34)35-7-9-40(38,39)10-8-35)3-2-4-25(27)36(17)16-26(37)33-28-23(30)12-19(29)13-24(28)31/h2-4,12-13,18,20,22H,5-11,14-16H2,1H3,(H,33,37)/t18-,20+,22-/m1/s1","","2025-09-15","2026-04-03","2-{4-[(1R,2S)-2-{[(3S)-3-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)pyrrolidin-1-yl]methyl}cyclopropyl]-2-methyl-1H-1,3-benzimidazol-1-yl}-N-(2,4,6-trichlorophenyl)acetamide","2026-04-08"],["G3H","GLYCERALDEHYDE-3-PHOSPHATE","C3 H7 O6 P","O=P(OCC(O)C=O)(O)O;O[CH](CO[P](O)(O)=O)C=O;C(C(C=O)O)OP(=O)(O)O","InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1","","1999-07-08","2024-09-27","(2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate",""],["ZQW","N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine","C28 H24 N2 O5","O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1;OC(=O)CC[CH](NC(=O)c1cccc2ccccc12)C(=O)Nc3ccccc3Oc4ccccc4;c1ccc(cc1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=O)c3cccc4c3cccc4","InChI=1S/C28H24N2O5/c31-26(32)18-17-24(30-27(33)22-14-8-10-19-9-4-5-13-21(19)22)28(34)29-23-15-6-7-16-25(23)35-20-11-2-1-3-12-20/h1-16,24H,17-18H2,(H,29,34)(H,30,33)(H,31,32)/t24-/m0/s1","","2023-03-22","2023-07-21","N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine","2023-07-26"],["A1INF","azanyl-oxidanylidene-(sulfoamino)phosphanium","H4 N2 O4 P S","N[P+](=O)N[S](O)(=O)=O;N[P+](=O)NS(=O)(=O)O","InChI=1S/H3N2O4PS/c1-7(3)2-8(4,5)6/h(H3-,1,2,3,4,5,6)/p+1","","2024-09-06","2025-07-11","azanyl-oxidanylidene-(sulfoamino)phosphanium","2025-07-16"],["A1ARA","tert-butyl (3R)-3-({5-[(Z)-(5-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}carbamoyl)piperazine-1-carboxylate","C34 H39 F N6 O5","Fc1ccc(cc1)C(C)NC(=O)c1ccc2NC(=O)C(=C/c3[NH]c(C)c(NC(=O)C4CN(CCN4)C(=O)OC(C)(C)C)c3C)c2c1;C[CH](NC(=O)c1ccc2NC(=O)C(=Cc3[nH]c(C)c(NC(=O)[CH]4CN(CCN4)C(=O)OC(C)(C)C)c3C)c2c1)c5ccc(F)cc5;Cc1c([nH]c(c1NC(=O)C2CN(CCN2)C(=O)OC(C)(C)C)C)C=C3c4cc(ccc4NC3=O)C(=O)NC(C)c5ccc(cc5)F","InChI=1S/C34H39FN6O5/c1-18-27(37-20(3)29(18)40-32(44)28-17-41(14-13-36-28)33(45)46-34(4,5)6)16-25-24-15-22(9-12-26(24)39-31(25)43)30(42)38-19(2)21-7-10-23(35)11-8-21/h7-12,15-16,19,28,36-37H,13-14,17H2,1-6H3,(H,38,42)(H,39,43)(H,40,44)/t19-,28-/m1/s1","","2024-05-13","2025-11-07","tert-butyl (3R)-3-({5-[(Z)-(5-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}carbamoyl)piperazine-1-carboxylate","2025-11-12"],["XK2","[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE","C41 H38 N2 O3","O=C1N(C(C(O)C(O)C(N1Cc3cc2ccccc2cc3)Cc4ccccc4)Cc5ccccc5)Cc7cc6ccccc6cc7;O[CH]1[CH](O)[CH](Cc2ccccc2)N(Cc3ccc4ccccc4c3)C(=O)N(Cc5ccc6ccccc6c5)[CH]1Cc7ccccc7;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O","InChI=1S/C41H38N2O3/c44-39-37(25-29-11-3-1-4-12-29)42(27-31-19-21-33-15-7-9-17-35(33)23-31)41(46)43(38(40(39)45)26-30-13-5-2-6-14-30)28-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2/t37-,38-,39+,40+/m1/s1","","1999-07-08","2011-06-04","(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one",""],["A1AHV","4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol","C26 H23 N O5 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCc2ccccc21;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N4CCc5ccccc45)c6ccc(O)cc6;c1ccc2c(c1)CCN2S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C26H23NO5S/c28-19-9-5-17(6-10-19)24-22-15-23(26(32-22)25(24)18-7-11-20(29)12-8-18)33(30,31)27-14-13-16-3-1-2-4-21(16)27/h1-12,22-23,26,28-29H,13-15H2/t22-,23+,26+/m1/s1","","2024-03-11","2024-06-07","4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol","2024-06-12"],["XK3","4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID","C17 H21 N3 O2 S","O=C(O)C3CCC(c2nc(c1sccc1CC)cnc2N)CC3;CCc1ccsc1c2cnc(N)c(n2)[CH]3CC[CH](CC3)C(O)=O;CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N","InChI=1S/C17H21N3O2S/c1-2-10-7-8-23-15(10)13-9-19-16(18)14(20-13)11-3-5-12(6-4-11)17(21)22/h7-9,11-12H,2-6H2,1H3,(H2,18,19)(H,21,22)/t11-,12-","","2010-07-07","2011-06-04","trans-4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid",""],["G3I","(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside","C24 H43 N O18","O(C2C(OC(OC1C(CO)CNCC1O)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO;OC[CH]1CNC[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[CH]2O;C1C(C(C(CN1)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)CO","InChI=1S/C24H43NO18/c26-3-7-1-25-2-8(30)19(7)41-23-17(36)14(33)21(10(5-28)39-23)43-24-18(37)15(34)20(11(6-29)40-24)42-22-16(35)13(32)12(31)9(4-27)38-22/h7-37H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1","Cellotetraose-like isofagomine; Cellotriosyl isofagomine","2008-04-17","2020-05-27","(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside",""],["A1CVQ","(4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide","C28 H24 Cl2 F2 N4 O2","O=C(/C=C/c1[NH]cc(C(=O)NC(CC#N)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1CCCCC1;Fc1ccc(cc1Cl)[CH](CC#N)NC(=O)c2c[nH]c(C=CC(=O)N3CCCCC3)c2c4ccc(Cl)cc4F;c1cc(c(cc1C(CC#N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)C=CC(=O)N4CCCCC4)Cl)F","InChI=1S/C28H24Cl2F2N4O2/c29-18-5-6-19(23(32)15-18)27-20(16-34-25(27)8-9-26(37)36-12-2-1-3-13-36)28(38)35-24(10-11-33)17-4-7-22(31)21(30)14-17/h4-9,14-16,24,34H,1-3,10,12-13H2,(H,35,38)/b9-8+/t24-/m0/s1","","2025-09-24","2025-11-07","(4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide","2025-11-12"],["ZQY","2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine","C20 H23 N7 O2 S","COc1nc(NCCc2ccc(OCc3nnn[NH]3)cc2)c2cc(CCC)sc2n1;CCCc1sc2nc(OC)nc(NCCc3ccc(OCc4[nH]nnn4)cc3)c2c1;CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4","InChI=1S/C20H23N7O2S/c1-3-4-15-11-16-18(22-20(28-2)23-19(16)30-15)21-10-9-13-5-7-14(8-6-13)29-12-17-24-26-27-25-17/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22,23)(H,24,25,26,27)","","2021-05-21","2021-07-02","2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine","2021-07-07"],["A1INR","3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone","C31 H44 N4 O6","COc1cc2cc(OCC[CH](C)n3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC;CC1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OCCCc4cn1nn4)C5CCCCC5","InChI=1S/C31H44N4O6/c1-21-14-17-40-27-19-23(18-26(38-2)29(27)39-3)28(22-10-5-4-6-11-22)30(36)34-15-8-7-13-25(34)31(37)41-16-9-12-24-20-35(21)33-32-24/h18-22,25,28H,4-17H2,1-3H3/t21-,25-,28-/m0/s1","","2024-09-11","2025-01-10","","2025-01-15"],["A1ARB","(3Z)-3-({3,5-dimethyl-4-[(4-methylpiperidin-4-yl)carbamoyl]-1H-pyrrol-2-yl}methylidene)-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide","C31 H35 N5 O3","O=C(NC1(C)CCNCC1)c1c(C)c(/C=C2/C3=CC(=CCC3=NC2=O)C(=O)NC(C)c2ccccc2)[NH]c1C;C[CH](NC(=O)C1=CCC2=NC(=O)C(=Cc3[nH]c(C)c(C(=O)NC4(C)CCNCC4)c3C)C2=C1)c5ccccc5;Cc1c([nH]c(c1C(=O)NC2(CCNCC2)C)C)C=C3C4=CC(=CCC4=NC3=O)C(=O)NC(C)c5ccccc5","InChI=1S/C31H35N5O3/c1-18-26(33-20(3)27(18)30(39)36-31(4)12-14-32-15-13-31)17-24-23-16-22(10-11-25(23)35-29(24)38)28(37)34-19(2)21-8-6-5-7-9-21/h5-10,16-17,19,32-33H,11-15H2,1-4H3,(H,34,37)(H,36,39)/b24-17-/t19-/m1/s1","","2024-05-13","2025-11-07","(3Z)-3-({3,5-dimethyl-4-[(4-methylpiperidin-4-yl)carbamoyl]-1H-pyrrol-2-yl}methylidene)-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide","2025-11-12"],["G3J","1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one","C21 H21 Cl N4 O","n1nccc1c3cc4C(Nc2c(cccc2)Cl)CC(C)N(C(C)=O)c4cc3;C[CH]1C[CH](Nc2ccccc2Cl)c3cc(ccc3N1C(C)=O)c4cc[nH]n4;CC1CC(c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl","InChI=1S/C21H21ClN4O/c1-13-11-20(24-19-6-4-3-5-17(19)22)16-12-15(18-9-10-23-25-18)7-8-21(16)26(13)14(2)27/h3-10,12-13,20,24H,11H2,1-2H3,(H,23,25)/t13-,20+/m0/s1","","2018-05-03","2019-11-08","1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one","2019-11-13"],["ZQZ","N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine","C29 H26 N2 O6","O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1cc(OC)ccc1;COc1cccc(Oc2ccccc2NC(=O)[CH](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1;COc1cccc(c1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=O)c3cccc4c3cccc4","InChI=1S/C29H26N2O6/c1-36-20-10-7-11-21(18-20)37-26-15-5-4-14-24(26)30-29(35)25(16-17-27(32)33)31-28(34)23-13-6-9-19-8-2-3-12-22(19)23/h2-15,18,25H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1","","2023-03-22","2023-07-21","N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine","2023-07-26"],["A1AHZ","(1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C31 H33 N O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1;COc1ccc(cc1)N(C2CCCCC2)[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6;COc1ccc(cc1)N(C2CCCCC2)S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m0/s1","","2024-03-11","2024-06-07","(1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2024-06-12"],["A1IOE","(2~{S},9~{S},12~{R},13~{S},14~{E},18~{S})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione","C31 H45 N O8","COc1cc2cc(OC[CH](C)OCC=C[CH](O)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC;CC1COc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OC(C(C=CCO1)O)C)C4CCCCC4","InChI=1S/C31H45NO8/c1-20-19-39-27-18-23(17-26(36-3)29(27)37-4)28(22-11-6-5-7-12-22)30(34)32-15-9-8-13-24(32)31(35)40-21(2)25(33)14-10-16-38-20/h10,14,17-18,20-22,24-25,28,33H,5-9,11-13,15-16,19H2,1-4H3/b14-10+/t20-,21+,24-,25-,28-/m0/s1","","2024-09-12","2025-01-10","(2~{S},9~{S},12~{R},13~{S},14~{E},18~{S})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione","2025-01-15"],["A1CXA","4-(cyclopentylmethyl)-1lambda~6~-thiomorpholine-1,1-dione","C10 H19 N O2 S","O=S1(=O)CCN(CC2CCCC2)CC1;O=[S]1(=O)CCN(CC1)CC2CCCC2;C1CCC(C1)CN2CCS(=O)(=O)CC2","InChI=1S/C10H19NO2S/c12-14(13)7-5-11(6-8-14)9-10-3-1-2-4-10/h10H,1-9H2","","2025-10-01","2026-02-13","4-(cyclopentylmethyl)-1lambda~6~-thiomorpholine-1,1-dione","2026-02-18"],["XK4","(3R)-1,2-oxazolidin-3-amine","C3 H8 N2 O","NC1NOCC1;N[CH]1CCON1;C1CONC1N","InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1","","2020-12-17","2021-06-18","(3R)-1,2-oxazolidin-3-amine","2021-06-23"],["A1ARR","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide","C39 H53 N5 O8","CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)c1nc2ccccc2o1;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4oc5ccccc5n4;CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)C(c3nc4ccccc4o3)O)NC(=O)OCc5ccccc5)OC(C)(C)C","InChI=1S/C39H53N5O8/c1-24(52-39(2,3)4)32(44-38(49)50-23-26-15-9-6-10-16-26)36(48)42-30(21-25-13-7-5-8-14-25)35(47)41-29(22-27-19-20-40-34(27)46)33(45)37-43-28-17-11-12-18-31(28)51-37/h6,9-12,15-18,24-25,27,29-30,32-33,45H,5,7-8,13-14,19-23H2,1-4H3,(H,40,46)(H,41,47)(H,42,48)(H,44,49)/t24-,27+,29-,30+,32?,33+/m1/s1","","2024-05-14","2025-05-09","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide","2025-05-14"],["A1CXB","4-(4-methoxyphenyl)-1H-imidazole","C10 H10 N2 O","COc1ccc(cc1)c1c[NH]cn1;COc1ccc(cc1)c2c[nH]cn2;COc1ccc(cc1)c2c[nH]cn2","InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)","","2025-10-02","2026-02-13","4-(4-methoxyphenyl)-1H-imidazole","2026-02-18"],["XK5","6-chloro-9-(2-{[(2S)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one","C18 H21 Cl N2 O3","Clc1cc2c(cc1)n(CCOC1CCCCO1)c1c2CCNC1=O;Clc1ccc2n(CCO[CH]3CCCCO3)c4C(=O)NCCc4c2c1;c1cc2c(cc1Cl)c3c(n2CCOC4CCCCO4)C(=O)NCC3","InChI=1S/C18H21ClN2O3/c19-12-4-5-15-14(11-12)13-6-7-20-18(22)17(13)21(15)8-10-24-16-3-1-2-9-23-16/h4-5,11,16H,1-3,6-10H2,(H,20,22)/t16-/m1/s1","","2023-06-07","2024-12-13","6-chloro-9-(2-{[(2R)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one","2024-12-18"],["ZR","ZIRCONIUM ION","Zr","[Zr+4];[Zr+4];[Zr+4]","InChI=1S/Zr/q+4","","2016-06-17","2017-04-21","zirconium(4+)","2017-04-26"],["G3K","2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","C19 H20 Cl N3 O6","C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O;CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC[CH]2C3=NC(=C(O)C(=O)N3)C(O)=O;CC(C)(C(=O)N1CCCC1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl","InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1","SRI-29782","2017-07-11","2021-03-01","2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","2018-01-03"],["A1AIA","primidone","C12 H14 N2 O2","CCC1(C(=O)NCNC1=O)c1ccccc1;CCC1(C(=O)NCNC1=O)c2ccccc2;CCC1(C(=O)NCNC1=O)c2ccccc2","InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)","5-ethyl-5-phenyl-1,3-diazinane-4,6-dione","2024-03-15","2025-01-17","5-ethyl-5-phenyl-1,3-diazinane-4,6-dione","2025-01-22"],["A1IOR","~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide","C16 H26 N4 O3","CC(C)C[CH](O)C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2;CC(C)CC(C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2)O","InChI=1S/C16H26N4O3/c1-11(2)8-13(21)15(23)18-10-16(5-3-6-16)9-17-14(22)12-4-7-19-20-12/h4,7,11,13,21H,3,5-6,8-10H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)/t13-/m0/s1","","2024-09-16","2025-05-02","~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide","2025-05-07"],["A1ARV","(1H-indol-4-yl)methanol","C9 H9 N O S","OC(S)c1cccc2[NH]ccc12;O[CH](S)c1cccc2[nH]ccc12;c1cc(c2cc[nH]c2c1)C(O)S","InChI=1S/C9H9NOS/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,9-12H/t9-/m1/s1","","2024-05-14","2025-05-09","(R)-(1H-indol-4-yl)(sulfanyl)methanol","2025-05-14"],["XK6","8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C10 H6 F N O5 S","FS(=O)(=O)c1cccc2c1NC=C(C2=O)C(=O)O;OC(=O)C1=CNc2c(cccc2[S](F)(=O)=O)C1=O;c1cc2c(c(c1)S(=O)(=O)F)NC=C(C2=O)C(=O)O","InChI=1S/C10H6FNO5S/c11-18(16,17)7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)","","2023-11-03","2024-09-27","8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2024-09-25"],["ZR0","4-bromobenzene-1,3-dicarboxylic acid","C8 H5 Br O4","OC(=O)c1cc(ccc1Br)C(=O)O;OC(=O)c1ccc(Br)c(c1)C(O)=O;c1cc(c(cc1C(=O)O)C(=O)O)Br","InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)","","2023-07-03","2024-03-01","4-bromobenzene-1,3-dicarboxylic acid","2024-03-06"],["A1IPF","(3~{a}~{S},8~{a}~{R})-2-[8,8-bis(chloranyl)-7-propan-2-yl-7$l^{3}-oxa-8$l^{5}-ruthenabicyclo[4.3.0]nona-1(6),2,4-trien-8-yl]-1,3-bis(2,4,6-trimethylphenyl)-3~{a},7,8,8~{a}-tetrahydroimidazo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide","C33 H44 Cl2 N4 O3 Ru S","CC(C)[O+]1c2ccccc2C[Ru]1(Cl)(Cl)C3N([CH]4CN[S](=O)(=O)NC[CH]4N3c5c(C)cc(C)cc5C)c6c(C)cc(C)cc6C;Cc1cc(c(c(c1)C)N2C3CNS(=O)(=O)NCC3N(C2[Ru]4(Cc5ccccc5[O+]4C(C)C)(Cl)Cl)c6c(cc(cc6C)C)C)C","InChI=1S/C23H31N4O2S.C10H13O.2ClH.Ru/c1-14-7-16(3)22(17(4)8-14)26-13-27(23-18(5)9-15(2)10-19(23)6)21-12-25-30(28,29)24-11-20(21)26;1-8(2)11-10-7-5-4-6-9(10)3;;;/h7-10,13,20-21,24-25H,11-12H2,1-6H3;4-8H,3H2,1-2H3;2*1H;/q;;;;+3/p-2/t20-,21-;;;;/m1..../s1","","2024-09-23","2025-05-23","(3~{a}~{R},8~{a}~{R})-2-[8,8-bis(chloranyl)-7-propan-2-yl-7-oxonia-8$l^{5}-ruthenabicyclo[4.3.0]nona-1(6),2,4-trien-8-yl]-1,3-bis(2,4,6-trimethylphenyl)-3~{a},4,5,7,8,8~{a}-hexahydro-2~{H}-imidazo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide","2025-05-28"],["A1ASF","4-[5-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1,2,5-oxadiazol-3-yl]-1~{H}-1,2,4-triazol-3-yl]-1,2,5-oxadiazole-3-thiol","C6 H2 N8 O4 S","Sc1nonc1c1n[NH]c(n1)c1nonc1[N+]([O-])=O;[O-][N+](=O)c1nonc1c2[nH]nc(n2)c3nonc3S;c1(c(non1)[N+](=O)[O-])c2[nH]nc(n2)c3c(non3)S","InChI=1S/C6H2N8O4S/c15-14(16)5-1(10-17-12-5)3-7-4(9-8-3)2-6(19)13-18-11-2/h(H,13,19)(H,7,8,9)","","2024-05-16","2025-05-16","4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole-3-thiol","2025-05-21"],["A1D5A","Cloprostenol","C22 H29 Cl O6","O[CH](COc1cccc(Cl)c1)C=C[CH]2[CH](O)C[CH](O)[CH]2CC=CCCCC(O)=O;c1cc(cc(c1)Cl)OCC(C=CC2C(CC(C2CC=CCCCC(=O)O)O)O)O","InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1","","2023-12-28","2024-11-11","(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid","2024-02-28"],["G3L","Nomilin","C28 H34 O9","CC(=O)O[CH]1CC(=O)OC(C)(C)[CH]2CC(=O)[C]3(C)[CH](CC[C]4(C)[CH](OC(=O)[CH]5O[C]345)c6cocc6)[C]12C;CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C","InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1","[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate","2020-07-21","2021-07-02","","2021-07-07"],["A1AIB","(2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide","C21 H21 N3 O2","Cc1cc(NC(=O)C(c2ccccc2)N2CCCc3ccccc32)no1;Cc1onc(NC(=O)[CH](N2CCCc3ccccc23)c4ccccc4)c1;Cc1cc(no1)NC(=O)C(c2ccccc2)N3CCCc4c3cccc4","InChI=1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25)/t20-/m0/s1","","2024-03-15","2025-01-17","(2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide","2025-01-22"],["A1AIE","N-{(4M)-4-[5-(aminomethyl)thiophen-2-yl]quinolin-8-yl}-4-[(propan-2-yl)oxy]benzamide","C24 H23 N3 O2 S","NCc1ccc(s1)c1ccnc2c1cccc2NC(=O)c1ccc(OC(C)C)cc1;CC(C)Oc1ccc(cc1)C(=O)Nc2cccc3c(ccnc23)c4sc(CN)cc4;CC(C)Oc1ccc(cc1)C(=O)Nc2cccc3c2nccc3c4ccc(s4)CN","InChI=1S/C24H23N3O2S/c1-15(2)29-17-8-6-16(7-9-17)24(28)27-21-5-3-4-20-19(12-13-26-23(20)21)22-11-10-18(14-25)30-22/h3-13,15H,14,25H2,1-2H3,(H,27,28)","","2024-03-18","2025-03-14","N-{(4M)-4-[5-(aminomethyl)thiophen-2-yl]quinolin-8-yl}-4-[(propan-2-yl)oxy]benzamide","2025-03-19"],["G3M","(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine","C7 H16 N4 O3","O=C(O)C(C(O)CCCNC(=N)N)N;N[CH]([CH](O)CCCNC(N)=N)C(O)=O;C(CC(C(C(=O)O)N)O)CNC(=N)N","InChI=1S/C7H16N4O3/c8-5(6(13)14)4(12)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1","","2018-05-03","2018-05-11","(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine","2018-05-16"],["ZR1","(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol","C22 H23 F3 N4 O3","FC(F)c1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNCCc2c1F;Cc1ncnc2n(ccc12)[CH]3C[CH](Oc4cc(C(F)F)c(F)c5CCNCc45)[CH](O)[CH]3O;Cc1c2ccn(c2ncn1)C3CC(C(C3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F","InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1","","2021-05-21","2021-11-12","(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol","2021-11-17"],["A1ASY","N-(1H-indol-5-yl)-4-[4-(propan-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine","C23 H30 N6","CC(C)N1CCN(CC1)c1nc(Nc2cc3cc[NH]c3cc2)nc2CCCCc12;CC(C)N1CCN(CC1)c2nc(Nc3ccc4[nH]ccc4c3)nc5CCCCc25;CC(C)N1CCN(CC1)c2c3c(nc(n2)Nc4ccc5c(c4)cc[nH]5)CCCC3","InChI=1S/C23H30N6/c1-16(2)28-11-13-29(14-12-28)22-19-5-3-4-6-21(19)26-23(27-22)25-18-7-8-20-17(15-18)9-10-24-20/h7-10,15-16,24H,3-6,11-14H2,1-2H3,(H,25,26,27)","","2024-05-21","2025-01-31","N-(1H-indol-5-yl)-4-[4-(propan-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine","2025-02-05"],["A1IPU","3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid","C30 H17 Cl2 F3 N2 O6","OC(=O)c1ccc(c(OCc2ccc3[oH]coc3c2)c1)c4nn(C(=O)c5c(Cl)cccc5C(F)(F)F)c6ccc(Cl)cc46;c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc6c(c5)OC=[OH]6)C(=O)O)Cl)C(F)(F)F","InChI=1S/C30H17Cl2F3N2O6/c31-17-6-8-22-19(12-17)27(36-37(22)28(38)26-20(30(33,34)35)2-1-3-21(26)32)18-7-5-16(29(39)40)11-24(18)41-13-15-4-9-23-25(10-15)43-14-42-23/h1-12,14,42H,13H2,(H,39,40)","","2024-09-27","2025-10-03","3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid","2025-10-08"],["A1D5P","(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid","C9 H11 N O4","N[CH]([CH](O)c1ccc(O)cc1)C(O)=O;c1cc(ccc1C(C(C(=O)O)N)O)O","InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1","(betaS)-beta-hydroxy-D-tyrosine","2024-01-26","2024-09-27","(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid","2024-06-12"],["XK7","1-aminocyclopropane-1-carboxamide","C4 H8 N2 O","NC(=O)C1(CC1)N;NC(=O)C1(N)CC1;C1CC1(C(=O)N)N","InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)","","2020-12-17","2021-06-18","1-aminocyclopropane-1-carboxamide","2021-06-23"],["A1IQU","~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide","C18 H14 N3 O2","ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24;c1ccc2c(c1)[nH]c(c-3ccc[n+]23)c4ccc(cc4)C(=O)NO","InChI=1S/C18H13N3O2/c22-18(20-23)13-9-7-12(8-10-13)17-16-6-3-11-21(16)15-5-2-1-4-14(15)19-17/h1-11H,(H2,19,20,22,23)/p+1","","2024-10-02","2025-06-27","~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-10-ium-4-yl)benzamide","2025-07-02"],["XK8","3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid","C20 H28 N4 O5","Nc1nc(CCCCO)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;Nc1nc(N)c(OCCCOc2ccccc2CCC(O)=O)c(CCCCO)n1;c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(nc2N)N)CCCCO","InChI=1S/C20H28N4O5/c21-19-18(15(7-3-4-11-25)23-20(22)24-19)29-13-5-12-28-16-8-2-1-6-14(16)9-10-17(26)27/h1-2,6,8,25H,3-5,7,9-13H2,(H,26,27)(H4,21,22,23,24)","","2022-11-23","2023-12-08","3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid","2023-12-13"],["ZR2","6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose","C78 H152 O9","OC1C(O)C(COC(=O)C(CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(O)C1O;CCCCCCCCCCCCCCC[CH]([CH](O)CCCCCCCCCCCCCCCCC[CH]1C[CH]1CCCCCCCCCCCCCCCC[CH](OC)[CH](C)CCCCCCCCCCCCCC)C(=O)OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O;CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCC)OC)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O","InChI=1S/C78H152O9/c1-5-7-9-11-13-15-17-24-32-38-44-50-56-62-70(77(83)86-66-73-74(80)75(81)76(82)78(84)87-73)71(79)63-57-51-45-39-33-27-21-19-20-25-30-36-42-48-54-60-68-65-69(68)61-55-49-43-37-31-26-22-23-28-34-40-46-52-58-64-72(85-4)67(3)59-53-47-41-35-29-18-16-14-12-10-8-6-2/h67-76,78-82,84H,5-66H2,1-4H3/t67-,68-,69+,70-,71-,72-,73+,74-,75-,76+,78-/m1/s1","","2023-03-22","2023-09-15","6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose","2023-09-20"],["A1D5Q","[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate","C43 H81 O13 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38-,39-,40-,41+,42+,43+/m1/s1","","2024-01-30","2024-11-29","[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate","2024-12-04"],["G3N","(2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C14 H23 N3 O15 P2","OP(OP(OCC1C(O)C(C(O1)N2C(NC(C=C2)=O)=O)O)(O)=O)(=O)OC3C(C(C(CO3)N)O)O;N[CH]1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH]1O;C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)N","InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1","","2016-04-06","2016-05-20","(2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2016-05-25"],["A1AIF","(5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile","C25 H22 N4 O","N#Cc1ccc(cn1)c1ccnc2c1cccc2NCc1ccc(OC(C)C)cc1;CC(C)Oc1ccc(CNc2cccc3c(ccnc23)c4ccc(nc4)C#N)cc1;CC(C)Oc1ccc(cc1)CNc2cccc3c2nccc3c4ccc(nc4)C#N","InChI=1S/C25H22N4O/c1-17(2)30-21-10-6-18(7-11-21)15-29-24-5-3-4-23-22(12-13-27-25(23)24)19-8-9-20(14-26)28-16-19/h3-13,16-17,29H,15H2,1-2H3","","2024-03-18","2025-03-14","(5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile","2025-03-19"],["A1ASZ","5-sulfanyl-L-histidine","C6 H9 N3 O2 S","Sc1[NH]cnc1CC(N)C(=O)O;N[CH](Cc1nc[nH]c1S)C(O)=O;c1[nH]c(c(n1)CC(C(=O)O)N)S","InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1","","2024-05-23","2025-01-03","5-sulfanyl-L-histidine","2025-01-08"],["A1IRU","2-oxidanyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one","C10 H12 O2","CC(C)C1=CC=CC(=O)C(=C1)O;CC(C)C1=CC=CC(=O)C(=C1)O","InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)","2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; B-Thujaplicin","2024-10-14","2025-10-24","2-oxidanyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one","2025-10-29"],["A1ATQ","~{N}-[4-oxidanylidene-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazol-2-yl]naphthalene-1-sulfonamide","C26 H18 N2 O4 S2","O=C1N=C(NS(=O)(=O)c2cccc3ccccc32)SC1=C/c1ccccc1Oc1ccccc1;O=C1N=C(N[S](=O)(=O)c2cccc3ccccc23)SC1=Cc4ccccc4Oc5ccccc5;c1ccc(cc1)Oc2ccccc2C=C3C(=O)N=C(S3)NS(=O)(=O)c4cccc5c4cccc5","InChI=1S/C26H18N2O4S2/c29-25-23(17-19-10-5-7-15-22(19)32-20-12-2-1-3-13-20)33-26(27-25)28-34(30,31)24-16-8-11-18-9-4-6-14-21(18)24/h1-17H,(H,27,28,29)/b23-17-","","2024-05-30","2024-06-21","N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-1-sulfonamide","2024-06-26"],["ZR3","2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid","C10 H9 Cl N2 O3","O=C(O)c1cc(ccc1Cl)N1CCNC1=O;OC(=O)c1cc(ccc1Cl)N2CCNC2=O;c1cc(c(cc1N2CCNC2=O)C(=O)O)Cl","InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)","","2023-07-03","2024-03-01","2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid","2024-03-06"],["A1D5U","Dexmethylphenidate","C14 H19 N O2","COC(=O)[CH]([CH]1CCCCN1)c2ccccc2;COC(=O)C(c1ccccc1)C2CCCCN2","InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1","","2024-01-31","2025-08-25","methyl (2~{R})-2-phenyl-2-[(2~{R})-piperidin-2-yl]ethanoate","2024-08-14"],["XK9","N-{4-[(1E)-N-(N-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide","C18 H17 N7 O4","[O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc3ccc(C(=NNC(=[N@H])NO)C)cc3;CC(=NNC(=N)NO)c1ccc(NC(=O)c2[nH]c3c(cccc3[N+]([O-])=O)c2)cc1;CC(=NNC(=N)NO)c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]","InChI=1S/C18H17N7O4/c1-10(22-23-18(19)24-27)11-5-7-13(8-6-11)20-17(26)14-9-12-3-2-4-15(25(28)29)16(12)21-14/h2-9,21,27H,1H3,(H,20,26)(H3,19,23,24)/b22-10+","","2010-07-07","2011-07-15","N-{4-[(1E)-N-(N-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide",""],["G3O","(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol","C20 H27 N O3","NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4;c1cc(c(c2c1C(OC(C2)C34CC5CC(C3)CC(C5)C4)CN)O)O","InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m0/s1","","2020-07-21","2021-02-26","(1~{R},3~{S})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol","2021-03-03"],["ZR4","7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C17 H16 Cl F N4 O4","Clc1ccc(cc1F)C(O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O)[CH](O)c4ccc(Cl)c(F)c4;c1cc(c(cc1C(C2C(C(C(O2)n3ccc4c3ncnc4N)O)O)O)F)Cl","InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1","","2021-05-21","2021-11-12","7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2021-11-17"],["XKA","[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone","C18 H19 N5 O6 S2","Cc1nc(sc1C(=O)c2sc(N[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nc2)c4cnccn4;Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)NC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C18H19N5O6S2/c1-7-15(31-17(22-7)8-4-19-2-3-20-8)12(26)10-5-21-18(30-10)23-16-14(28)13(27)11(25)9(6-24)29-16/h2-5,9,11,13-14,16,24-25,27-28H,6H2,1H3,(H,21,23)/t9-,11-,13+,14+,16+/m1/s1","","2017-01-10","2017-03-10","[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone","2017-03-15"],["A1D5V","(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","C34 H59 N O15","CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O;CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O","InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1","Fumonisin b1; Macrofusine","2024-02-01","2024-11-22","(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","2024-11-27"],["A1IRV","1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine","C10 H16 N6 O2 S","NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1CCNC(=N)NC(=N)N)S(=O)(=O)N","InChI=1S/C10H16N6O2S/c11-9(12)16-10(13)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H2,14,17,18)(H6,11,12,13,15,16)","1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide","2024-10-14","2025-10-24","1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine","2025-10-29"],["A1AIR","1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one","C34 H32 F2 N6 O3 S","CCC(=O)N1CCn2nc(cc2C1C)c1nc(c2ccsc2c1c1c(F)cc(F)cc1OCCOC)c1ccc2n(C)ncc2c1;CCC(=O)N1CCn2nc(cc2[CH]1C)c3nc(c4ccc5n(C)ncc5c4)c6ccsc6c3c7c(F)cc(F)cc7OCCOC;CCC(=O)N1CCn2c(cc(n2)c3c(c4c(ccs4)c(n3)c5ccc6c(c5)cnn6C)c7c(cc(cc7F)F)OCCOC)C1C","InChI=1S/C34H32F2N6O3S/c1-5-29(43)41-9-10-42-27(19(41)2)17-25(39-42)33-31(30-24(36)15-22(35)16-28(30)45-12-11-44-4)34-23(8-13-46-34)32(38-33)20-6-7-26-21(14-20)18-37-40(26)3/h6-8,13-19H,5,9-12H2,1-4H3/t19-/m1/s1","","2024-03-22","2025-06-20","1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one","2025-06-25"],["A1ATR","N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide","C26 H18 N2 O4 S2","O=C1N=C(NS(=O)(=O)c2cc3ccccc3cc2)SC1=C/c1ccccc1Oc1ccccc1;O=C1N=C(N[S](=O)(=O)c2ccc3ccccc3c2)SC1=Cc4ccccc4Oc5ccccc5;c1ccc(cc1)Oc2ccccc2C=C3C(=O)N=C(S3)NS(=O)(=O)c4ccc5ccccc5c4","InChI=1S/C26H18N2O4S2/c29-25-24(17-20-10-6-7-13-23(20)32-21-11-2-1-3-12-21)33-26(27-25)28-34(30,31)22-15-14-18-8-4-5-9-19(18)16-22/h1-17H,(H,27,28,29)/b24-17-","","2024-05-30","2024-06-21","N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide","2024-06-26"],["G3P","SN-GLYCEROL-3-PHOSPHATE","C3 H9 O6 P","O=P(OCC(O)CO)(O)O;OC[CH](O)CO[P](O)(O)=O;C(C(COP(=O)(O)O)O)O","InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1","","1999-07-08","2024-09-27","(2R)-2,3-dihydroxypropyl dihydrogen phosphate",""],["A1ISQ","3-(1H-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine","C19 H21 N7","CN1CCC(CC1)n2nc(c3ccc4cc[nH]c4c3)c5c(N)ncnc25;CN1CCC(CC1)n2c3c(c(n2)c4ccc5cc[nH]c5c4)c(ncn3)N","InChI=1S/C19H21N7/c1-25-8-5-14(6-9-25)26-19-16(18(20)22-11-23-19)17(24-26)13-3-2-12-4-7-21-15(12)10-13/h2-4,7,10-11,14,21H,5-6,8-9H2,1H3,(H2,20,22,23)","","2024-10-26","2025-10-31","3-(1~{H}-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine","2025-11-05"],["G3Q","R-Talinolol","C20 H33 N3 O3","CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1;CC(C)(C)NCC(COc1ccc(cc1)NC(=O)NC2CCCCC2)O","InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1","Talinolol","2018-08-23","2021-03-01","1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea","2019-07-03"],["XKB","5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine","C23 H24 N8 O5","Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](COC(=O)NCCc5c[nH]c6ccccc56)[CH](O)[CH]4O;c1ccc2c(c1)c(c[nH]2)CCNC(=O)OCC3C(C(C(O3)n4cnc5c4nc(n6c5ncc6)N)O)O","InChI=1S/C23H24N8O5/c24-22-29-20-16(19-25-7-8-30(19)22)28-11-31(20)21-18(33)17(32)15(36-21)10-35-23(34)26-6-5-12-9-27-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,17-18,21,27,32-33H,5-6,10H2,(H2,24,29)(H,26,34)/t15-,17-,18-,21-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate","2023-06-07","2023-06-09","[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate","2023-06-14"],["ZR5","N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide","C21 H19 N3 O4 S2","COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O;COc1cccc(CNc2ccc(cc2)[S](=O)(=O)Nc3sc4ccccc4n3)c1O;COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4ccccc4s3","InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)","","2023-03-22","2023-08-04","N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide","2023-08-09"],["A1AUQ","(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","C23 H29 N7 O4 S2","O=S(=O)(c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)C1CCNCC1;N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)[S](=O)(=O)C5CCNCC5;c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)S(=O)(=O)C4CCNCC4)C5CCNCC5","InChI=1S/C23H29N7O4S2/c24-36(33,34)22-20(35(31,32)18-9-13-26-14-10-18)6-5-19(21(22)23-27-29-30-28-23)17-3-1-15(2-4-17)16-7-11-25-12-8-16/h1-6,16,18,25-26H,7-14H2,(H2,24,33,34)(H,27,28,29,30)","","2024-06-07","2024-10-11","(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","2024-10-16"],["A1D5Z","(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol","C19 H24 N2 O S","C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1;CC(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O","InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m1/s1","","2024-02-04","2024-10-04","(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol","2024-10-09"],["ZR6","2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid","C11 H12 N2 O3","O=C(O)c1cccc(c1C)N1CCNC1=O;Cc1c(cccc1C(O)=O)N2CCNC2=O;Cc1c(cccc1N2CCNC2=O)C(=O)O","InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)","","2023-07-03","2024-03-01","2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid","2024-03-06"],["A1ISV","4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine","C14 H10 N6","Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34;c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N","InChI=1S/C14H10N6/c15-14-18-12(10-7-17-20-13(10)19-14)9-5-1-3-8-4-2-6-16-11(8)9/h1-7H,(H3,15,17,18,19,20)","","2024-10-28","2025-03-07","4-quinolin-8-yl-1~{H}-pyrazolo[3,4-d]pyrimidin-6-amine","2025-03-12"],["A1AIV","4-aminobutanenitrile","C4 H8 N2","N#CCCCN;NCCCC#N;C(CC#N)CN","InChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2","","2024-03-25","2024-09-27","4-aminobutanenitrile","2024-06-05"],["XKC","(2R)-2-hydroxy-2-[2-(2-methoxy-5-methylpyridin-3-yl)ethyl]butanedioic acid","C13 H17 N O6","COc1ncc(C)cc1CCC(O)(CC(=O)O)C(=O)O;COc1ncc(C)cc1CC[C](O)(CC(O)=O)C(O)=O;Cc1cc(c(nc1)OC)CCC(CC(=O)O)(C(=O)O)O","InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1","","2023-11-03","2024-12-20","(2R)-2-hydroxy-2-[2-(2-methoxy-5-methylpyridin-3-yl)ethyl]butanedioic acid","2024-12-25"],["A1AUV","4-cyclohexyl-N-[(8R)-2-cyclopropyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzene-1-sulfonamide","C21 H25 N5 O3 S","O=S(=O)(Nc1c(O)n2nc(nc2nc1C)C1CC1)c1ccc(cc1)C1CCCCC1;Cc1nc2nc(nn2c(O)c1N[S](=O)(=O)c3ccc(cc3)C4CCCCC4)C5CC5;Cc1c(c(n2c(n1)nc(n2)C3CC3)O)NS(=O)(=O)c4ccc(cc4)C5CCCCC5","InChI=1S/C21H25N5O3S/c1-13-18(20(27)26-21(22-13)23-19(24-26)16-7-8-16)25-30(28,29)17-11-9-15(10-12-17)14-5-3-2-4-6-14/h9-12,14,16,25,27H,2-8H2,1H3","","2024-06-11","2025-09-19","4-cyclohexyl-N-[(8R)-2-cyclopropyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzene-1-sulfonamide","2025-09-24"],["A1D6B","3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione","C31 H34 O4","Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5;Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C","InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3","BMS986187","2024-02-18","2026-01-02","3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione","2026-01-07"],["G3R","2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol","C19 H18 N6 O3","O1c2ccc(cc2OC1)Cc5nc3cc(NCCO)ccc3c4nc(nn45)N;Nc1nn2c(Cc3ccc4OCOc4c3)nc5cc(NCCO)ccc5c2n1;c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2","InChI=1S/C19H18N6O3/c20-19-23-18-13-3-2-12(21-5-6-26)9-14(13)22-17(25(18)24-19)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,21,26H,5-6,8,10H2,(H2,20,24)","","2014-04-03","2014-07-03","2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol","2014-07-08"],["A1AIY","(8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide","C19 H17 F6 N3 O","FC(F)(F)c1ccc(cc1)C1c2ncccc2CCN1C(=O)NC(C)C(F)(F)F;C[CH](NC(=O)N1CCc2cccnc2[CH]1c3ccc(cc3)C(F)(F)F)C(F)(F)F;CC(C(F)(F)F)NC(=O)N1CCc2cccnc2C1c3ccc(cc3)C(F)(F)F","InChI=1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-10-8-12-3-2-9-26-15(12)16(28)13-4-6-14(7-5-13)19(23,24)25/h2-7,9,11,16H,8,10H2,1H3,(H,27,29)/t11-,16+/m0/s1","","2024-03-26","2024-08-16","(8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide","2024-08-21"],["A1AVU","(3S)-4-fluoro-L-valine","C5 H10 F N O2","CC(CF)C(N)C(=O)O;C[CH](CF)[CH](N)C(O)=O;CC(CF)C(C(=O)O)N","InChI=1S/C5H10FNO2/c1-3(2-6)4(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)/t3-,4+/m1/s1","","2024-06-24","2024-10-04","(3S)-4-fluoro-L-valine","2024-10-09"],["A1ISY","5-methyl-4-phenyl-1H-pyrazol-3-amine","C10 H11 N3","Cc1[nH]nc(N)c1c2ccccc2;Cc1c(c(n[nH]1)N)c2ccccc2","InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)","","2024-10-28","2025-03-07","5-methyl-4-phenyl-1~{H}-pyrazol-3-amine","2025-03-12"],["A1D6F","4-[(~{S})-[(2~{R},5~{S})-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-~{N},~{N}-diethyl-benzamide","C28 H39 N3 O2","CCN(CC)C(=O)c1ccc(cc1)[CH](N2C[CH](C)N(CC=C)C[CH]2C)c3cccc(OC)c3;CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)OC)N3CC(N(CC3C)CC=C)C","InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m0/s1","","2024-02-29","2026-01-02","4-[(~{S})-[(2~{R},5~{S})-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-~{N},~{N}-diethyl-benzamide","2026-01-07"],["ZR7","N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide","C22 H20 F2 N8 O2 S","COc1ncc(nc1)C(=O)Nc1cc(c(F)cc1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1;COc1cnc(cn1)C(=O)Nc2ccc(F)c(c2)[C]34CN(C[CH]3CSC(=N4)N)c5ncc(F)cn5;COc1cnc(cn1)C(=O)Nc2ccc(c(c2)C34CN(CC3CSC(=N4)N)c5ncc(cn5)F)F","InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1","","2021-05-24","2021-07-16","N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide","2021-07-21"],["XKD","N-methyl-D-alaninamide","C4 H10 N2 O","CNC(=O)C(C)N;CNC(=O)[CH](C)N;CC(C(=O)NC)N","InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1","","2020-12-17","2021-06-18","N-methyl-D-alaninamide","2021-06-23"],["G3S","4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid","C22 H23 N O4 S","C(c1ccc(C(O)=O)cc1)CSc3ccc2c(C(C(=O)N2CCCCC)=O)c3;CCCCCN1C(=O)C(=O)c2cc(SCCc3ccc(cc3)C(O)=O)ccc12;CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O","InChI=1S/C22H23NO4S/c1-2-3-4-12-23-19-10-9-17(14-18(19)20(24)21(23)25)28-13-11-15-5-7-16(8-6-15)22(26)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,27)","","2018-05-04","2019-05-03","4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid","2019-05-08"],["A1AIZ","(1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide","C32 H32 F3 N O5 S","FC(F)(F)C1CCC(CC1)C(=O)NCCCCOc1ccc(cc1)Oc1c2ccc(O)cc2sc1c1ccc(O)cc1;Oc1ccc(cc1)c2sc3cc(O)ccc3c2Oc4ccc(OCCCCNC(=O)[CH]5CC[CH](CC5)C(F)(F)F)cc4;c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)OCCCCNC(=O)C5CCC(CC5)C(F)(F)F)O","InChI=1S/C32H32F3NO5S/c33-32(34,35)22-7-3-21(4-8-22)31(39)36-17-1-2-18-40-25-12-14-26(15-13-25)41-29-27-16-11-24(38)19-28(27)42-30(29)20-5-9-23(37)10-6-20/h5-6,9-16,19,21-22,37-38H,1-4,7-8,17-18H2,(H,36,39)/t21-,22-","","2024-03-27","2025-08-22","(1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide","2025-08-27"],["A1ITF","4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile","C20 H23 F N6 O2","CO[CH]1C[CH](CN(C1)C(=O)c2c[nH]c(c2)C#N)c3ccnc(n3)N4CC[CH](F)C4;COC1CC(CN(C1)C(=O)c2cc([nH]c2)C#N)c3ccnc(n3)N4CCC(C4)F","InChI=1S/C20H23FN6O2/c1-29-17-7-14(10-27(12-17)19(28)13-6-16(8-22)24-9-13)18-2-4-23-20(25-18)26-5-3-15(21)11-26/h2,4,6,9,14-15,17,24H,3,5,7,10-12H2,1H3/t14-,15+,17+/m0/s1","","2024-10-30","2025-01-17","4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile","2025-01-22"],["XKE","(1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol","C32 H40 N4 O","C=C(c1ccccc1)C12CCC(O)C2CC(CCCCCCCCCc2nnn[NH]2)=C1c1ccccc1;O[CH]1CC[C]2([CH]1CC(=C2c3ccccc3)CCCCCCCCCc4[nH]nnn4)C(=C)c5ccccc5;C=C(c1ccccc1)C23CCC(C2CC(=C3c4ccccc4)CCCCCCCCCc5[nH]nnn5)O","InChI=1S/C32H40N4O/c1-24(25-15-10-7-11-16-25)32-22-21-29(37)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30-33-35-36-34-30/h7-8,10-13,15-18,28-29,37H,1-6,9,14,19-23H2,(H,33,34,35,36)/t28-,29+,32-/m0/s1","","2022-11-23","2023-11-24","(1R,3aR,6aR)-4-phenyl-3a-(1-phenylethenyl)-5-[9-(1H-tetrazol-5-yl)nonyl]-1,2,3,3a,6,6a-hexahydropentalen-1-ol (non-preferred name)","2023-11-29"],["ZR9","2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid","C9 H6 N2 O4","O=C(O)c1ccc2NC(=O)NC(=O)c2c1;OC(=O)c1ccc2NC(=O)NC(=O)c2c1;c1cc2c(cc1C(=O)O)C(=O)NC(=O)N2","InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)","","2023-07-03","2024-03-01","2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid","2024-03-06"],["A1AWA","N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C24 H30 N4 O4","OCC(Cc1cccnc1)NC(=O)C(CC(C)C)NC(=O)c1cc2c(cccc2OC)[NH]1;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CO)Cc3cccnc3;CC(C)CC(C(=O)NC(Cc1cccnc1)CO)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H30N4O4/c1-15(2)10-20(23(30)26-17(14-29)11-16-6-5-9-25-13-16)28-24(31)21-12-18-19(27-21)7-4-8-22(18)32-3/h4-9,12-13,15,17,20,27,29H,10-11,14H2,1-3H3,(H,26,30)(H,28,31)/t17-,20-/m0/s1","","2024-06-28","2025-01-10","N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2025-01-15"],["A1D6U","~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine","C12 H17 Cu N4 S","CC(C)C1=[N+]2N=C(S[Cu]2[n+]3ccccc13)N(C)C;CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C","InChI=1S/C12H18N4S.Cu/c1-9(2)11(10-7-5-6-8-13-10)14-15-12(17)16(3)4;/h5-9H,1-4H3,(H,15,17);/q;+3/p-1/b14-11+;","","2024-03-15","2025-03-07","~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine","2025-03-12"],["G3T","1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea","C22 H35 N3 O3","CC(C)(C)N1CCO[CH](COc2ccc(NC(=O)NC3CCCCC3)cc2)C1;CC(C)(C)N1CCOC(C1)COc2ccc(cc2)NC(=O)NC3CCCCC3","InChI=1S/C22H35N3O3/c1-22(2,3)25-13-14-27-20(15-25)16-28-19-11-9-18(10-12-19)24-21(26)23-17-7-5-4-6-8-17/h9-12,17,20H,4-8,13-16H2,1-3H3,(H2,23,24,26)/t20-/m0/s1","","2018-08-23","2019-06-28","1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea","2019-07-03"],["A1ITR","4-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoic acid","C19 H14 N4 O4 S","OC(=O)c1ccc(NC(=O)CSc2oc(nn2)c3c[nH]c4ccccc34)cc1;c1ccc2c(c1)c(c[nH]2)c3nnc(o3)SCC(=O)Nc4ccc(cc4)C(=O)O","InChI=1S/C19H14N4O4S/c24-16(21-12-7-5-11(6-8-12)18(25)26)10-28-19-23-22-17(27-19)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H,21,24)(H,25,26)","4-[[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate","2024-11-08","2025-11-14","4-[2-[[5-(1~{H}-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoic acid","2025-11-19"],["ZRA","BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE","C18 H28 F N5 O4","FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCNC(N)N)C;C[CH](NC(=O)[CH](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=O)CF;CC(C(=O)CF)NC(=O)C(CCCNC(N)N)NC(=O)OCc1ccccc1","InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1","benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate","1999-07-08","2024-09-27","benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate",""],["G3U","6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione","C19 H17 F2 N3 O4","CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3OC(F)F)cc2C)C;Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F","InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)","","2020-07-21","2021-02-26","6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione","2021-03-03"],["A1D6Z","methyl 3-[4-[3-[[3-[(1-ethylsulfonylpiperidin-4-yl)carbamoyl]-1~{H}-pyrazol-4-yl]carbamoyl]-2,4-bis(fluoranyl)phenyl]piperidin-1-yl]-3-oxidanylidene-propanoate","C27 H34 F2 N6 O7 S","CC[S](=O)(=O)N1CCC(CC1)NC(=O)c2n[nH]cc2NC(=O)c3c(F)ccc(C4CCN(CC4)C(=O)CC(=O)OC)c3F;CCS(=O)(=O)N1CCC(CC1)NC(=O)c2c(c[nH]n2)NC(=O)c3c(ccc(c3F)C4CCN(CC4)C(=O)CC(=O)OC)F","InChI=1S/C27H34F2N6O7S/c1-3-43(40,41)35-12-8-17(9-13-35)31-27(39)25-20(15-30-33-25)32-26(38)23-19(28)5-4-18(24(23)29)16-6-10-34(11-7-16)21(36)14-22(37)42-2/h4-5,15-17H,3,6-14H2,1-2H3,(H,30,33)(H,31,39)(H,32,38)","","2024-03-22","2025-09-19","methyl 3-[4-[3-[[3-[(1-ethylsulfonylpiperidin-4-yl)carbamoyl]-1~{H}-pyrazol-4-yl]carbamoyl]-2,4-bis(fluoranyl)phenyl]piperidin-1-yl]-3-oxidanylidene-propanoate","2025-09-24"],["A1AWB","N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide","C26 H32 N4 O4","O=C1NC=CC=C1CC(CO)NC(=O)C(CC1CCCCC1)NC(=O)c1cc2ccccc2[NH]1;OC[CH](CC1=CC=CNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3;c1ccc2c(c1)cc([nH]2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4=CC=CNC4=O)CO","InChI=1S/C26H32N4O4/c31-16-20(14-19-10-6-12-27-24(19)32)28-25(33)22(13-17-7-2-1-3-8-17)30-26(34)23-15-18-9-4-5-11-21(18)29-23/h4-6,9-12,15,17,20,22,29,31H,1-3,7-8,13-14,16H2,(H,27,32)(H,28,33)(H,30,34)/t20-,22-/m0/s1","","2024-06-28","2025-01-10","N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide","2025-01-15"],["A1AJA","1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide","C43 H42 Br Cl N6 O5 S","CS(=O)(=O)Nc1cc(NC(=O)CC(c2ccccc2Br)n2c3cc(CN4CCCC4C(=O)NC)ccc3nc2c2cccc(Oc3ccc(Cl)cc3)c2)c(C)cc1;CNC(=O)[CH]1CCCN1Cc2ccc3nc(n([CH](CC(=O)Nc4cc(N[S](C)(=O)=O)ccc4C)c5ccccc5Br)c3c2)c6cccc(Oc7ccc(Cl)cc7)c6;Cc1ccc(cc1NC(=O)CC(c2ccccc2Br)n3c4cc(ccc4nc3c5cccc(c5)Oc6ccc(cc6)Cl)CN7CCCC7C(=O)NC)NS(=O)(=O)C","InChI=1S/C43H42BrClN6O5S/c1-27-13-17-31(49-57(3,54)55)24-37(27)47-41(52)25-39(34-10-4-5-11-35(34)44)51-40-22-28(26-50-21-7-12-38(50)43(53)46-2)14-20-36(40)48-42(51)29-8-6-9-33(23-29)56-32-18-15-30(45)16-19-32/h4-6,8-11,13-20,22-24,38-39,49H,7,12,21,25-26H2,1-3H3,(H,46,53)(H,47,52)","","2024-04-02","2024-10-04","1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide","2024-10-09"],["XKF","5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl N2-methyl-2-aminoethenoadenosine","C24 H26 N8 O5","CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](COC(=O)NCCc5c[nH]c6ccccc56)[CH](O)[CH]4O;CNc1nc2c(c3n1ccn3)ncn2C4C(C(C(O4)COC(=O)NCCc5c[nH]c6c5cccc6)O)O","InChI=1S/C24H26N8O5/c1-25-23-30-21-17(20-26-8-9-31(20)23)29-12-32(21)22-19(34)18(33)16(37-22)11-36-24(35)27-7-6-13-10-28-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,18-19,22,28,33-34H,6-7,11H2,1H3,(H,25,30)(H,27,35)/t16-,18-,19-,22-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate","2023-06-07","2023-06-09","[(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate","2023-06-14"],["XKG","(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one","C24 H27 N3 O3","Cc1cc(c(c(c1)C)N=C4/C=C3c2c(cc(c(c2)OC)OC)CCN3C(=O)N4C)C;COc1cc2CCN3C(=O)N(C)C(C=C3c2cc1OC)=Nc4c(C)cc(C)cc4C;Cc1cc(c(c(c1)C)N=C2C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C","InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+","Trequinsin","2020-12-17","2021-06-11","(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one","2021-06-16"],["G3V","N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid","C20 H22 N8 O6","c1(N)nc(c2c(n1)ncc(n2)CN(CO)c3ccc(cc3)C(NC(CCC(O)=O)C(O)=O)=O)N;Nc1nc(N)c2nc(CN(CO)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2n1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO","InChI=1S/C20H22N8O6/c21-16-15-17(27-20(22)26-16)23-7-11(24-15)8-28(9-29)12-3-1-10(2-4-12)18(32)25-13(19(33)34)5-6-14(30)31/h1-4,7,13,29H,5-6,8-9H2,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)/t13-/m0/s1","","2018-05-04","2018-05-11","N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid","2018-05-16"],["A1AJB","(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide","C43 H58 F N5 O3","CCN(CC)C(=O)c1cc(ccc1F)c1cc(cc(c1)C(=O)NC(CC1CCCCC1)C(=O)NC)CN1CCN(CCCCc2ccccc2)CC1;CCN(CC)C(=O)c1cc(ccc1F)c2cc(CN3CCN(CCCCc4ccccc4)CC3)cc(c2)C(=O)N[CH](CC5CCCCC5)C(=O)NC;CCN(CC)C(=O)c1cc(ccc1F)c2cc(cc(c2)C(=O)NC(CC3CCCCC3)C(=O)NC)CN4CCN(CC4)CCCCc5ccccc5","InChI=1S/C43H58FN5O3/c1-4-49(5-2)43(52)38-30-35(19-20-39(38)44)36-26-34(31-48-24-22-47(23-25-48)21-13-12-16-32-14-8-6-9-15-32)27-37(29-36)41(50)46-40(42(51)45-3)28-33-17-10-7-11-18-33/h6,8-9,14-15,19-20,26-27,29-30,33,40H,4-5,7,10-13,16-18,21-25,28,31H2,1-3H3,(H,45,51)(H,46,50)","","2024-04-02","2024-10-04","(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide","2024-10-09"],["A1AWE","2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate","C12 H13 N O6 S","CC(SCCOC=O)c1cc2OCOc2cc1[N+]([O-])=O;C[CH](SCCOC=O)c1cc2OCOc2cc1[N+]([O-])=O;CC(c1cc2c(cc1[N+](=O)[O-])OCO2)SCCOC=O","InChI=1S/C12H13NO6S/c1-8(20-3-2-17-6-14)9-4-11-12(19-7-18-11)5-10(9)13(15)16/h4-6,8H,2-3,7H2,1H3/t8-/m1/s1","","2024-07-01","2024-09-27","2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate","2024-09-18"],["A1D7R","(2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid","C16 H20 N2 O2","CC(C)=CCc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1;CC(=CCc1ccc2c(c1)[nH]cc2CC(C(=O)O)N)C","InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-13-12(8-14(17)16(19)20)9-18-15(13)7-11/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1","6-dimethylallyl-L-tryptophan","2024-04-12","2025-02-14","(2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid","2025-02-19"],["A1IU7","~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide","C16 H15 N3 O","CCC(=O)Nc1ccccc1c2cnc3[nH]ccc3c2;CCC(=O)Nc1ccccc1c2cc3cc[nH]c3nc2","InChI=1S/C16H15N3O/c1-2-15(20)19-14-6-4-3-5-13(14)12-9-11-7-8-17-16(11)18-10-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20)","","2024-11-25","2025-01-03","~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide","2025-01-08"],["ZRC","OXO ZIRCONIUM(IV) CLUSTER","O17 P Zr3","[O-][Zr]123([O-])([O-])O[P]4(=O)O[Zr]5([O-])([O-])([O-])(O1)O[Zr]([O-])([O-])([O-])(O4)(O2)[O+]35;[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-]","InChI=1S/H3O4P.13O.3Zr/c1-5(2,3)4;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;/q;;;;9*-1;4*+1/p-3","","2004-09-08","2025-11-11","",""],["A1D7V","(~{N}~{Z})-~{N}-[2-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]ethylidene]hydroxylamine","C15 H18 N2 O","CC(C)=CCc1ccc2c(CC=NO)c[nH]c2c1;CC(=CCc1ccc2c(c1)[nH]cc2CC=NO)C","InChI=1S/C15H18N2O/c1-11(2)3-4-12-5-6-14-13(7-8-17-18)10-16-15(14)9-12/h3,5-6,8-10,16,18H,4,7H2,1-2H3/b17-8-","","2024-04-12","2025-02-14","(~{N}~{Z})-~{N}-[2-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]ethylidene]hydroxylamine","2025-02-19"],["A1IUB","alpha-ionone","C13 H20 O","CC(=O)C=C[CH]1C(=CCCC1(C)C)C;CC1=CCCC(C1C=CC(=O)C)(C)C","InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1","(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one","2024-11-14","2025-02-21","(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one","2025-02-26"],["XKH","(2R,3S)-2,3-dimethylbutanedioic acid","C6 H10 O4","OC(=O)C(C)C(C)C(=O)O;C[CH]([CH](C)C(O)=O)C(O)=O;CC(C(C)C(=O)O)C(=O)O","InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+","","2023-11-03","2024-12-20","(2R,3S)-2,3-dimethylbutanedioic acid","2024-12-25"],["A1AJE","(S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid","C8 H9 N O4 S","OS(=O)c1cc(c(OC)cc1)C(N)=O;COc1ccc(cc1C(N)=O)[S](O)=O;COc1ccc(cc1C(=O)N)S(=O)O","InChI=1S/C8H9NO4S/c1-13-7-3-2-5(14(11)12)4-6(7)8(9)10/h2-4H,1H3,(H2,9,10)(H,11,12)","","2024-04-03","2024-09-27","(S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid","2024-05-15"],["G3W","2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine","C21 H20 F N O","Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1;c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F","InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2","","2018-08-23","2019-08-02","2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine","2019-08-07"],["A1AWF","(2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal","C20 H36 O5","CC(CC(C)C(=O)CCC(C)C(O)CC)C(O)C(C)C(=O)C(C)C=O;CC[CH](O)[CH](C)CCC(=O)[CH](C)C[CH](C)[CH](O)[CH](C)C(=O)[CH](C)C=O;CCC(C(C)CCC(=O)C(C)CC(C)C(C(C)C(=O)C(C)C=O)O)O","InChI=1S/C20H36O5/c1-7-17(22)12(2)8-9-18(23)13(3)10-14(4)19(24)16(6)20(25)15(5)11-21/h11-17,19,22,24H,7-10H2,1-6H3/t12-,13-,14+,15+,16-,17-,19+/m1/s1","","2024-07-01","2024-09-27","(2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal","2024-09-18"],["ZRD","(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine","C13 H13 F N6 S2","Fc1cnc(nc1)N1CC2(N=C(N)SCC2C1)c1ccns1;NC1=N[C]2(CN(C[CH]2CS1)c3ncc(F)cn3)c4sncc4;c1cnsc1C23CN(CC2CSC(=N3)N)c4ncc(cn4)F","InChI=1S/C13H13FN6S2/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10/h1-4,8H,5-7H2,(H2,15,19)/t8-,13-/m0/s1","","2021-05-25","2021-07-09","(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine","2021-07-14"],["ZRE","7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid","C10 H8 F N O3","O=C(O)c1cc2CCC(=O)Nc2cc1F;OC(=O)c1cc2CCC(=O)Nc2cc1F;c1c2c(cc(c1C(=O)O)F)NC(=O)CC2","InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)","","2023-07-03","2024-03-01","7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid","2024-03-06"],["A1AYF","(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","C8 H9 N O2","O=C1NC(=O)C2CC=CCC12;O=C1NC(=O)[CH]2CC=CC[CH]12;C1C=CCC2C1C(=O)NC2=O","InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+","","2024-07-11","2025-03-21","(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","2025-03-26"],["XKI","3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid","C23 H23 F3 N4 O4","Nc1nc(c2ccccc2C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;Nc1nc(N)c(OCCCOc2ccccc2CCC(O)=O)c(n1)c3ccccc3C(F)(F)F;c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(nc2N)N)c3ccccc3C(F)(F)F","InChI=1S/C23H23F3N4O4/c24-23(25,26)16-8-3-2-7-15(16)19-20(21(27)30-22(28)29-19)34-13-5-12-33-17-9-4-1-6-14(17)10-11-18(31)32/h1-4,6-9H,5,10-13H2,(H,31,32)(H4,27,28,29,30)","","2022-11-23","2023-12-08","3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid","2023-12-13"],["A1D8F","methyl 4-[(1~{E})-7-methyl-3-methylidene-octa-1,6-dienyl]-3,5-bis(oxidanyl)benzoate","C18 H22 O4","COC(=O)c1cc(O)c(C=CC(=C)CCC=C(C)C)c(O)c1;CC(=CCCC(=C)C=Cc1c(cc(cc1O)C(=O)OC)O)C","InChI=1S/C18H22O4/c1-12(2)6-5-7-13(3)8-9-15-16(19)10-14(11-17(15)20)18(21)22-4/h6,8-11,19-20H,3,5,7H2,1-2,4H3","","2024-05-22","2025-10-06","methyl 4-[(1~{E})-7-methyl-3-methylidene-octa-1,6-dienyl]-3,5-bis(oxidanyl)benzoate","2025-08-13"],["G3X","(4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol","C24 H34 N2 O3","OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)CCCN5CCCCC5;COc1ccc2CN(CCCN3CCCCC3)CC[C]45C=C[CH](O)C[CH]4Oc1c25;COc1ccc2c3c1OC4C3(CCN(C2)CCCN5CCCCC5)C=CC(C4)O","InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1","(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-[3-(1-piperidinyl)propyl]-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol","2009-07-10","2021-03-13","(4aS,6R,8aS)-3-methoxy-11-[3-(piperidin-1-yl)propyl]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol (non-preferred name)",""],["A1IVA","(1~{S},2~{S},4~{S},5~{R})-6-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-bis(oxidanylidene)-$l^{6}-phosphanyl]methyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxycyclohexane-1,2,3,4,5-pentol","C17 H25 N5 O17 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(=O)O[P](=O)(=O)C[P](=O)(=O)O[CH]4[CH](O)[CH](O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(=O)OP(=O)(=O)CP(=O)(=O)OC4C(C(C(C(C4O)O)O)O)O)O)O)N","InChI=1S/C17H25N5O17P3/c18-15-6-16(20-2-19-15)22(3-21-6)17-13(29)7(23)5(37-17)1-36-42(34,35)39-41(32,33)4-40(30,31)38-14-11(27)9(25)8(24)10(26)12(14)28/h2-3,5,7-14,17,23-29H,1,4H2,(H2,18,19,20)","","2024-11-27","2025-11-28","(1~{S},2~{S},4~{S},5~{R})-6-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-bis(oxidanylidene)-$l^{6}-phosphanyl]methyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxycyclohexane-1,2,3,4,5-pentol","2025-12-03"],["A1AYR","3-(3-bromothiophen-2-yl)-1H-pyrazole","C7 H5 Br N2 S","Brc1ccsc1c1n[NH]cc1;Brc1ccsc1c2cc[nH]n2;c1c[nH]nc1c2c(ccs2)Br","InChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)","","2024-07-11","2025-03-21","3-(3-bromothiophen-2-yl)-1H-pyrazole","2025-03-26"],["XKJ","dodecyl beta-D-glucopyranoside","C18 H36 O6","C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O;CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1","","2020-12-17","2021-07-30","dodecyl beta-D-glucopyranoside","2021-08-04"],["A1AJQ","4-(piperazin-1-yl)quinoline","C13 H15 N3","c1cc(c2ccccc2n1)N1CCNCC1;C1CN(CCN1)c2ccnc3ccccc23;c1ccc2c(c1)c(ccn2)N3CCNCC3","InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2","","2024-04-03","2024-05-03","4-(piperazin-1-yl)quinoline","2024-05-08"],["ZRF","2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C8 H11 N3 O4","C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O;CC(C1=NC(=CO)C(=O)N1CC(=O)O)N","InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1","2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid","2024-01-22","2024-09-27","2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid","2024-06-26"],["A1D8S","(2~{S},4~{S})-4-[(2~{S})-2-azanyl-3-azanylidene-propyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid","C8 H13 N3 O3","N[CH](C[CH]1C[CH](NC1=O)C(O)=O)C=N;C1C(C(=O)NC1C(=O)O)CC(C=N)N","InChI=1S/C8H13N3O3/c9-3-5(10)1-4-2-6(8(13)14)11-7(4)12/h3-6,9H,1-2,10H2,(H,11,12)(H,13,14)/b9-3-/t4-,5-,6-/m0/s1","","2024-06-06","2025-10-06","(2~{S},4~{S})-4-[(2~{S})-2-azanyl-3-azanylidene-propyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid","2025-06-11"],["A1IVR","2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide","C10 H9 Cl N2 O","NC(=O)Cc1c[nH]c2ccc(Cl)cc12;c1cc2c(cc1Cl)c(c[nH]2)CC(=O)N","InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)","","2024-12-04","2025-07-25","2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide","2025-07-30"],["G3Y","(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol","C12 H15 N O3 S","N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3)[CH]1O;c1ccc(cc1)SC2C(C(C3COC2O3)N)O","InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9+,10-,11+,12-/m0/s1","","2021-12-16","2024-06-14","(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol","2024-06-19"],["G3Z","1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea","C22 H20 N6 O","CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn1)c4ccncc4;CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4","InChI=1S/C22H20N6O/c1-2-25-22(29)28-21-12-18-17(15-7-10-23-11-8-15)5-6-20(19(18)14-26-21)27-16-4-3-9-24-13-16/h3-14,27H,2H2,1H3,(H2,25,26,28,29)","","2016-12-12","2017-04-21","1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea","2017-04-26"],["A1AZB","N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide","C18 H16 F N5 O S","Cc1nc(NC(N)=N)sc1c1cccc(NC(=O)c2ccc(F)cc2)c1;Cc1nc(NC(N)=N)sc1c2cccc(NC(=O)c3ccc(F)cc3)c2;Cc1c(sc(n1)NC(=N)N)c2cccc(c2)NC(=O)c3ccc(cc3)F","InChI=1S/C18H16FN5OS/c1-10-15(26-18(22-10)24-17(20)21)12-3-2-4-14(9-12)23-16(25)11-5-7-13(19)8-6-11/h2-9H,1H3,(H,23,25)(H4,20,21,22,24)","","2024-07-15","2025-06-20","N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide","2025-06-25"],["XKK","5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine","C23 H24 N8 O7 S","Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O;c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OCC3C(C(C(O3)n4cnc5c4nc(n6c5ncc6)N)O)O","InChI=1S/C23H24N8O7S/c24-23-28-21-17(20-25-7-8-30(20)23)27-11-31(21)22-19(34)18(33)15(38-22)10-37-39(35,36)29-16(32)6-5-12-9-26-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,18-19,22,26,33-34H,5-6,10H2,(H2,24,28)(H,29,32)/t15-,18-,19-,22-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate","2023-06-07","2023-06-09","[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate","2023-06-14"],["A1D9U","2-methylpropyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate","C12 H19 N O5 S","CC(C)COC(=O)C=CC(=O)N[CH]1CC[S](=O)(=O)C1;CC(C)COC(=O)C=CC(=O)NC1CCS(=O)(=O)C1","InChI=1S/C12H19NO5S/c1-9(2)7-18-12(15)4-3-11(14)13-10-5-6-19(16,17)8-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/b4-3-","","2024-07-09","2026-01-16","2-methylpropyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate","2026-01-21"],["ZRG","(2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide","C11 H22 N6 O3","O=C(NC)C(NC(=O)C)CCCNC(=[N@H])NC(=O)NC;CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)NC;CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)NC","InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1","","2008-03-11","2011-06-04","N~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithinamide",""],["A1IWE","1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one","C16 H22 Br N3 O2","CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(Br)cc2C;CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(cc2C)Br","InChI=1S/C16H22BrN3O2/c1-3-15(21)19-6-8-20(9-7-19)16(22)11-18-14-5-4-13(17)10-12(14)2/h4-5,10,18H,3,6-9,11H2,1-2H3","","2024-12-09","2025-12-19","1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one","2025-12-24"],["A1AJR","1,2,3,4-tetrahydro-1,5-naphthyridine","C8 H10 N2","c1ccnc2CCCNc12;C1CNc2cccnc2C1;c1cc2c(nc1)CCCN2","InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2","","2024-04-03","2024-05-03","1,2,3,4-tetrahydro-1,5-naphthyridine","2024-05-08"],["ZRH","(2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one","C17 H16 F N3 O2","CC(COc1ccccc1)C(=O)n1nc(N)c2ccc(F)cc21;C[CH](COc1ccccc1)C(=O)n2nc(N)c3ccc(F)cc23;CC(COc1ccccc1)C(=O)n2c3cc(ccc3c(n2)N)F","InChI=1S/C17H16FN3O2/c1-11(10-23-13-5-3-2-4-6-13)17(22)21-15-9-12(18)7-8-14(15)16(19)20-21/h2-9,11H,10H2,1H3,(H2,19,20)/t11-/m0/s1","","2023-03-24","2024-06-21","(2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one","2024-06-26"],["A1B0A","5-{2-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid","C27 H25 Cl F3 N3 O5","FC(F)(F)Oc1ccc(cc1Cl)CNCCCCOCCOc1nc2cc(ccc2c2cnccc12)C(=O)O;OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc3ccc(OC(F)(F)F)c(Cl)c3)c4ccncc24;c1cc(c(cc1CNCCCCOCCOc2c3ccncc3c4ccc(cc4n2)C(=O)O)Cl)OC(F)(F)F","InChI=1S/C27H25ClF3N3O5/c28-22-13-17(3-6-24(22)39-27(29,30)31)15-32-8-1-2-10-37-11-12-38-25-20-7-9-33-16-21(20)19-5-4-18(26(35)36)14-23(19)34-25/h3-7,9,13-14,16,32H,1-2,8,10-12,15H2,(H,35,36)","","2025-03-12","2026-01-09","5-{2-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid","2026-01-14"],["A1E1M","7-bromanyl-5-chloranyl-1~{H}-indole-2-carboxylic acid","C9 H5 Br Cl N O2","OC(=O)c1[nH]c2c(Br)cc(Cl)cc2c1;c1c2cc([nH]c2c(cc1Cl)Br)C(=O)O","InChI=1S/C9H5BrClNO2/c10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6/h1-3,12H,(H,13,14)","","2025-12-04","2026-01-23","7-bromanyl-5-chloranyl-1~{H}-indole-2-carboxylic acid","2026-01-28"],["A1IWY","~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]-3-trimethylsilyl-prop-2-ynamide","C28 H30 Cl N3 O5 S Si","COc1ccc(cc1Cl)N([CH](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)C#C[Si](C)(C)C;COc1ccc(cc1Cl)N(C(c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)C#C[Si](C)(C)C","InChI=1S/C28H30ClN3O5SSi/c1-37-25-15-12-22(18-24(25)29)32(26(33)16-17-39(2,3)4)27(21-10-13-23(14-11-21)38(30,35)36)28(34)31-19-20-8-6-5-7-9-20/h5-15,18,27H,19H2,1-4H3,(H,31,34)(H2,30,35,36)/t27-/m1/s1","","2024-12-19","2025-12-19","~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]-3-trimethylsilyl-prop-2-ynamide","2025-12-24"],["XKL","5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide","C18 H15 N3 O7","O=C(c3noc(c2c(Oc1ccc([N+]([O-])=O)cc1)cc(O)cc2O)c3)NCC;CCNC(=O)c1cc(on1)c2c(O)cc(O)cc2Oc3ccc(cc3)[N+]([O-])=O;CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O","InChI=1S/C18H15N3O7/c1-2-19-18(24)13-9-16(28-20-13)17-14(23)7-11(22)8-15(17)27-12-5-3-10(4-6-12)21(25)26/h3-9,22-23H,2H2,1H3,(H,19,24)","","2013-05-30","2014-09-05","5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide","2013-10-23"],["G40","METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE","C38 H53 N5 O6 S","CNC(=O)[CH](NC(=O)[C](O)(CCCN(Cc1ccc(cc1)c2cscc2)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C;CC(C)(C)C(C(=O)NC)NC(=O)C(CCCN(Cc1ccc(cc1)c2ccsc2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O","InChI=1S/C38H53N5O6S/c1-36(2,3)30(32(44)39-7)40-34(46)38(48,23-26-13-10-9-11-14-26)20-12-21-43(42-33(45)31(37(4,5)6)41-35(47)49-8)24-27-15-17-28(18-16-27)29-19-22-50-25-29/h9-11,13-19,22,25,30-31,48H,12,20-21,23-24H2,1-8H3,(H,39,44)(H,40,46)(H,41,47)(H,42,45)/t30-,31-,38-/m1/s1","","2010-11-17","2011-12-02","methyl N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate",""],["A1AJV","3-ethenyl-1,2-dimethyl-pyrazole","C7 H11 N2","C[n+]1ccc(C=C)n1C;Cn1c(C=C)cc[n+]1C;Cn1c(cc[n+]1C)C=C","InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1","","2024-04-03","2024-05-03","5-ethenyl-1,2-dimethyl-1H-pyrazol-2-ium","2024-05-08"],["A1B0B","4-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}-1H-indazole-6-carboxylic acid","C27 H28 Cl N5 O3","Clc1cc(ccc1c1ccccc1)CNCCC(=O)NCCCNc1cc(cc2[NH]ncc12)C(=O)O;OC(=O)c1cc(NCCCNC(=O)CCNCc2ccc(c(Cl)c2)c3ccccc3)c4cn[nH]c4c1;c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3cc(cc4c3cn[nH]4)C(=O)O","InChI=1S/C27H28ClN5O3/c28-23-13-18(7-8-21(23)19-5-2-1-3-6-19)16-29-12-9-26(34)31-11-4-10-30-24-14-20(27(35)36)15-25-22(24)17-32-33-25/h1-3,5-8,13-15,17,29-30H,4,9-12,16H2,(H,31,34)(H,32,33)(H,35,36)","","2025-03-12","2026-01-09","4-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}-1H-indazole-6-carboxylic acid","2026-01-14"],["ZRI","(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid","C9 H9 N O2","O=C(O)C1CC1c1ccccn1;OC(=O)[CH]1C[CH]1c2ccccn2;c1ccnc(c1)C2CC2C(=O)O","InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1","","2023-07-03","2024-03-01","(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid","2024-03-06"],["A1IXB","(3~{R})-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol","C9 H13 N O","O[C]1(CN2CCC1CC2)C#C;C#CC1(CN2CCC1CC2)O","InChI=1S/C9H13NO/c1-2-9(11)7-10-5-3-8(9)4-6-10/h1,8,11H,3-7H2/t9-/m1/s1","","2024-12-19","2026-01-09","(3~{R})-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol","2026-01-14"],["A1EB3","N-[5-[[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-[(phenylmethyl)carbamoyl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]propanamide","C36 H46 N8 O2","CCC(=O)Nc1cc(ccc1N2CC[CH](CC2)N(C)C)N([CH]3CC[CH](CC3)Nc4ccc(cn4)C#N)C(=O)NCc5ccccc5;CCC(=O)Nc1cc(ccc1N2CCC(CC2)N(C)C)N(C3CCC(CC3)Nc4ccc(cn4)C#N)C(=O)NCc5ccccc5","InChI=1S/C36H46N8O2/c1-4-35(45)41-32-22-31(15-16-33(32)43-20-18-29(19-21-43)42(2)3)44(36(46)39-24-26-8-6-5-7-9-26)30-13-11-28(12-14-30)40-34-17-10-27(23-37)25-38-34/h5-10,15-17,22,25,28-30H,4,11-14,18-21,24H2,1-3H3,(H,38,40)(H,39,46)(H,41,45)/t28-,30-","YJZ5118","2024-09-19","2025-05-02","~{N}-[5-[[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-[(phenylmethyl)carbamoyl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]propanamide","2025-05-07"],["G41","(2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide","C27 H28 N6 O","C[CH](NC(=O)[CH]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2;CC(c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4)NC(=O)C5CCCCN5","InChI=1S/C27H28N6O/c1-18(31-26(34)25-4-2-3-13-29-25)19-5-8-23(9-6-19)32-27-30-17-22-16-21(7-10-24(22)33-27)20-11-14-28-15-12-20/h5-12,14-18,25,29H,2-4,13H2,1H3,(H,31,34)(H,30,32,33)/t18-,25-/m0/s1","","2022-01-27","2022-08-22","(2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide","2022-05-04"],["XKM","3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate","C30 H32 F2 N6 O3 S","CN1CCC(NC(=O)OCC#Cc2c(F)cc(OCc3nnc(SC4C=CCCC4)n3c3cccnc3)cc2F)CC1;CN1CCC(CC1)NC(=O)OCC#Cc2c(F)cc(OCc3nnc(S[CH]4CCCC=C4)n3c5cccnc5)cc2F;CN1CCC(CC1)NC(=O)OCC#Cc2c(cc(cc2F)OCc3nnc(n3c4cccnc4)SC5CCCC=C5)F","InChI=1S/C30H32F2N6O3S/c1-37-14-11-21(12-15-37)34-30(39)40-16-6-10-25-26(31)17-23(18-27(25)32)41-20-28-35-36-29(42-24-8-3-2-4-9-24)38(28)22-7-5-13-33-19-22/h3,5,7-8,13,17-19,21,24H,2,4,9,11-12,14-16,20H2,1H3,(H,34,39)/t24-/m0/s1","","2023-11-03","2024-09-23","3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate","2024-08-21"],["ZRJ","tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate","C14 H21 N O4","COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C;CC(C)(C)OC(=O)C(c1cc(cc(c1)OC)OC)N","InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1","~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate","2024-01-22","2024-09-27","~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate","2024-04-17"],["A1EBE","ethyl 2-[1-[4-[2-(diethylaminomethylamino)ethanoyl]quinolin-2-yl]azetidin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate","C29 H34 N6 O3","CCOC(=O)c1n2ccccc2nc1C3CN(C3)c4cc(C(=O)CNCN(CC)CC)c5ccccc5n4;CCN(CC)CNCC(=O)c1cc(nc2c1cccc2)N3CC(C3)c4c(n5ccccc5n4)C(=O)OCC","InChI=1S/C29H34N6O3/c1-4-33(5-2)19-30-16-24(36)22-15-26(31-23-12-8-7-11-21(22)23)34-17-20(18-34)27-28(29(37)38-6-3)35-14-10-9-13-25(35)32-27/h7-15,20,30H,4-6,16-19H2,1-3H3","","2024-09-03","2025-06-20","ethyl 2-[1-[4-[2-(diethylaminomethylamino)ethanoyl]quinolin-2-yl]azetidin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate","2025-06-25"],["G42","8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)N1;C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O","InChI=1/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12,14,19-20H,11H2","","1995-02-27","2009-01-07","2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate)",""],["A1B0E","5-{[2-(4-{[(3-chlorophenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide","C26 H28 Cl N5 O2","NC(=O)c1cc2nc(NCCOCCCCNCc3cccc(Cl)c3)c3ccncc3c2cc1;NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cccc(Cl)c3)c4ccncc24;c1cc(cc(c1)Cl)CNCCCCOCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N","InChI=1S/C26H28ClN5O2/c27-20-5-3-4-18(14-20)16-29-9-1-2-12-34-13-11-31-26-22-8-10-30-17-23(22)21-7-6-19(25(28)33)15-24(21)32-26/h3-8,10,14-15,17,29H,1-2,9,11-13,16H2,(H2,28,33)(H,31,32)","","2025-03-12","2026-01-09","5-{[2-(4-{[(3-chlorophenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide","2026-01-14"],["A1AJY","3-ethenyl-1-methyl-pyridine","C8 H10 N","C[n+]1cccc(C=C)c1;C[n+]1cccc(C=C)c1;C[n+]1cccc(c1)C=C","InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1","","2024-04-03","2024-05-03","3-ethenyl-1-methylpyridin-1-ium","2024-05-08"],["A1IXV","2-chloranyl-~{N}-(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-1,8-naphthyridin-4-yl)ethanamide","C10 H12 Cl N3 O2","ClCC(=O)NC1=CC(=O)NC2=C1CCCN2;C1CC2=C(NC1)NC(=O)C=C2NC(=O)CCl","InChI=1S/C10H12ClN3O2/c11-5-9(16)13-7-4-8(15)14-10-6(7)2-1-3-12-10/h4H,1-3,5H2,(H3,12,13,14,15,16)","","2025-01-03","2026-01-09","2-chloranyl-~{N}-(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-1,8-naphthyridin-4-yl)ethanamide","2026-01-14"],["XKN","3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride","C30 H29 F N4 O4 S","COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C;COc1ccccc1Cn2cnc3cc(ccc23)C(=O)N4CCN(C[CH]4C)Cc5cc(cc(c5)[S](F)(=O)=O)C#C;CC1CN(CCN1C(=O)c2ccc3c(c2)ncn3Cc4ccccc4OC)Cc5cc(cc(c5)S(=O)(=O)F)C#C","InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1","","2022-11-23","2024-09-27","3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride","2023-05-31"],["XKO","5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine","C24 H26 N8 O7 S","CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O;CNc1nc2c(c3n1ccn3)ncn2C4C(C(C(O4)COS(=O)(=O)NC(=O)CCc5c[nH]c6c5cccc6)O)O","InChI=1S/C24H26N8O7S/c1-25-24-29-22-18(21-26-8-9-31(21)24)28-12-32(22)23-20(35)19(34)16(39-23)11-38-40(36,37)30-17(33)7-6-13-10-27-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,19-20,23,27,34-35H,6-7,11H2,1H3,(H,25,29)(H,30,33)/t16-,19-,20-,23-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate","2023-06-07","2023-06-09","[(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate","2023-06-14"],["A1EBR","methyl (~{Z})-4-[1-benzothiophen-2-ylmethyl-[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate","C18 H19 N O5 S2","COC(=O)C=CC(=O)N(Cc1sc2ccccc2c1)[CH]3CC[S](=O)(=O)C3;COC(=O)C=CC(=O)N(Cc1cc2ccccc2s1)C3CCS(=O)(=O)C3","InChI=1S/C18H19NO5S2/c1-24-18(21)7-6-17(20)19(14-8-9-26(22,23)12-14)11-15-10-13-4-2-3-5-16(13)25-15/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1","","2024-09-09","2026-03-06","methyl (~{Z})-4-[1-benzothiophen-2-ylmethyl-[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate","2026-03-11"],["A1IZC","~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]prop-2-ynamide","C25 H22 Cl N3 O5 S","COc1ccc(cc1Cl)N([CH](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)C#C;COc1ccc(cc1Cl)N(C(c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)C#C","InChI=1S/C25H22ClN3O5S/c1-3-23(30)29(19-11-14-22(34-2)21(26)15-19)24(18-9-12-20(13-10-18)35(27,32)33)25(31)28-16-17-7-5-4-6-8-17/h1,4-15,24H,16H2,2H3,(H,28,31)(H2,27,32,33)/t24-/m1/s1","N-(2-(benzylamino)-2-oxo-1-(4-sulfamoylphenyl)ethyl)-N-(3-chloro-4-methoxyphenyl)propiolamide","2025-01-22","2026-01-30","~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]prop-2-ynamide","2026-02-04"],["A1AJZ","4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","C6 H10 N2 O2","OCCC=1C(=O)NNC=1C;CC1=C(CCO)C(=O)NN1;CC1=C(C(=O)NN1)CCO","InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)","","2024-04-03","2024-05-03","4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","2024-05-08"],["G43","[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate","C29 H39 Cl N2 O9 S","COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(OC)c(Cl)c2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CC(C)CN(CC(C(Cc1ccc(c(c1)Cl)OC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H39ClN2O9S/c1-18(2)15-32(42(35,36)21-8-6-20(37-3)7-9-21)16-25(33)24(14-19-5-10-26(38-4)23(30)13-19)31-29(34)41-27-17-40-28-22(27)11-12-39-28/h5-10,13,18,22,24-25,27-28,33H,11-12,14-17H2,1-4H3,(H,31,34)/t22-,24-,25+,27-,28+/m0/s1","","2016-06-03","2016-08-24","[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate","2016-08-31"],["ZRK","2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE","C12 H8 N2 O2","O=C2NC=Cc1oc(cc12)c3ccncc3;O=C1NC=Cc2oc(cc12)c3ccncc3;c1cnccc1c2cc3c(o2)C=CNC3=O","InChI=1S/C12H8N2O2/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-7H,(H,14,15)","","2011-06-16","2014-05-01","2-pyridin-4-ylfuro[3,2-c]pyridin-4(5H)-one",""],["A1B0F","5-({2-[4-({[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide","C27 H27 F4 N5 O3","FC(F)(F)Oc1ccc(cc1F)CNCCCCOCCNc1nc2cc(ccc2c2cnccc12)C(N)=O;NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(OC(F)(F)F)c(F)c3)c4ccncc24;c1cc(c(cc1CNCCCCOCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N)F)OC(F)(F)F","InChI=1S/C27H27F4N5O3/c28-22-13-17(3-6-24(22)39-27(29,30)31)15-33-8-1-2-11-38-12-10-35-26-20-7-9-34-16-21(20)19-5-4-18(25(32)37)14-23(19)36-26/h3-7,9,13-14,16,33H,1-2,8,10-12,15H2,(H2,32,37)(H,35,36)","","2025-03-12","2026-01-09","5-({2-[4-({[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide","2026-01-14"],["A1B0Y","(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(34E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,33-dioxo-5,8,11,14,17,20,23,26,29-nonaoxa-2,32-diazapentatriacont-34-en-35-yl]-1H-pyrrole-3-carboxamide","C71 H83 Cl2 F7 N8 O14","Clc1ccc(c(F)c1)c1c(c[NH]c1/C=C/C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(c(F)cc1)c1ccc(N2CC(C)N(C)C(C)C2)c(NC(=O)c2ccc(F)cc2C(F)(F)F)c1)C(=O)NC(CC(=O)N)c1ccc(F)c(Cl)c1;C[CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)c3ccc(F)cc3C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5[nH]cc(C(=O)N[CH](CC(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F;CC1CN(CC(N1C)C)c2ccc(cc2NC(=O)c3ccc(cc3C(F)(F)F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5c(c(c[nH]5)C(=O)NC(CC(=O)N)c6ccc(c(c6)Cl)F)c7ccc(cc7F)Cl","InChI=1S/C71H83Cl2F7N8O14/c1-45-43-88(44-46(2)87(45)3)64-14-6-47(38-63(64)86-69(92)52-10-8-51(74)40-56(52)71(78,79)80)54-36-49(5-11-58(54)75)68(91)83-17-19-95-21-23-97-25-27-99-29-31-101-33-35-102-34-32-100-30-28-98-26-24-96-22-20-94-18-16-82-66(90)15-13-61-67(53-9-7-50(72)39-60(53)77)55(42-84-61)70(93)85-62(41-65(81)89)48-4-12-59(76)57(73)37-48/h4-15,36-40,42,45-46,62,84H,16-35,41,43-44H2,1-3H3,(H2,81,89)(H,82,90)(H,83,91)(H,85,93)(H,86,92)/b15-13+/t45-,46+,62-/m0/s1","","2025-03-18","2026-03-20","(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(34E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,33-dioxo-5,8,11,14,17,20,23,26,29-nonaoxa-2,32-diazapentatriacont-34-en-35-yl]-1H-pyrrole-3-carboxamide","2026-03-25"],["XKP","(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate","C23 H46 N O8 P","C(CCCCCCCCC)(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN;CCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCCN","InChI=1S/C23H46NO8P/c1-3-5-7-9-10-12-14-16-23(26)32-21(20-31-33(27,28)30-18-17-24)19-29-22(25)15-13-11-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)/t21-/m1/s1","","2020-12-18","2021-09-17","(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate","2021-09-22"],["ZRL","7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE","C12 H7 Br N2 O S","BrC1=CNC(=O)c2cc(sc12)c3ccncc3;c1cnccc1c2cc3c(s2)C(=CNC3=O)Br","InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)","","2011-06-17","2023-09-23","7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one","2011-06-29"],["A1IZU","6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione","C20 H18 N4 O2","CN1C(=O)NC(=O)C(=C1c2ccc(cc2C)c3cccn4ccnc34)C;Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)c3cccn4c3ncc4","InChI=1S/C20H18N4O2/c1-12-11-14(16-5-4-9-24-10-8-21-18(16)24)6-7-15(12)17-13(2)19(25)22-20(26)23(17)3/h4-11H,1-3H3,(H,22,25,26)","","2025-01-27","2025-07-11","6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione","2025-07-16"],["A1AKA","(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine","C7 H11 N3","Cc1cnn2CCNCc12;Cc1cnn2CCNCc12;Cc1cnn2c1CNCC2","InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3","","2024-04-03","2024-05-03","(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine","2024-05-08"],["G44","4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE","C21 H20 N4 O","O=C(c2ccnc(NCc1ccc(C(=[N@H])N)cc1)c2)c3cccc(c3)C;Cc1cccc(c1)C(=O)c2ccnc(NCc3ccc(cc3)C(N)=N)c2;[H]N=C(c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)N","InChI=1S/C21H20N4O/c1-14-3-2-4-17(11-14)20(26)18-9-10-24-19(12-18)25-13-15-5-7-16(8-6-15)21(22)23/h2-12H,13H2,1H3,(H3,22,23)(H,24,25)","","2007-05-14","2011-06-04","4-[({4-[(3-methylphenyl)carbonyl]pyridin-2-yl}amino)methyl]benzenecarboximidamide",""],["A1EBS","methyl (~{Z})-4-[[4,4-bis(fluoranyl)cyclohexyl]amino]-4-oxidanylidene-but-2-enoate","C11 H15 F2 N O3","COC(=O)C=CC(=O)NC1CCC(F)(F)CC1;COC(=O)C=CC(=O)NC1CCC(CC1)(F)F","InChI=1S/C11H15F2NO3/c1-17-10(16)3-2-9(15)14-8-4-6-11(12,13)7-5-8/h2-3,8H,4-7H2,1H3,(H,14,15)/b3-2-","","2024-09-09","2026-03-06","methyl (~{Z})-4-[[4,4-bis(fluoranyl)cyclohexyl]amino]-4-oxidanylidene-but-2-enoate","2026-03-11"],["A1B1F","3-{[(6M)-6-(2-chloro-4-methoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}-N,N-dimethylbenzene-1-sulfonamide","C23 H22 Cl N5 O4 S","CN(C)S(=O)(=O)c1cccc(c1)Nc1ncc2C=C(C(=O)N(C)c2n1)c1ccc(OC)cc1Cl;COc1ccc(c(Cl)c1)C2=Cc3cnc(Nc4cccc(c4)[S](=O)(=O)N(C)C)nc3N(C)C2=O;CN1c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N(C)C)C=C(C1=O)c4ccc(cc4Cl)OC","InChI=1S/C23H22ClN5O4S/c1-28(2)34(31,32)17-7-5-6-15(11-17)26-23-25-13-14-10-19(22(30)29(3)21(14)27-23)18-9-8-16(33-4)12-20(18)24/h5-13H,1-4H3,(H,25,26,27)","","2025-03-19","2026-03-27","3-{[(6M)-6-(2-chloro-4-methoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}-N,N-dimethylbenzene-1-sulfonamide","2026-04-01"],["A1AKB","N,N-dimethylpiperazine-1-carboxamide","C7 H15 N3 O","O=C(N(C)C)N1CCNCC1;CN(C)C(=O)N1CCNCC1;CN(C)C(=O)N1CCNCC1","InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3","","2024-04-03","2024-05-03","N,N-dimethylpiperazine-1-carboxamide","2024-05-08"],["XKQ","methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","C24 H40 F2 N4 O6","CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C;CNC(=O)[CH](O)[CH](CCC(C)(F)F)NC(=O)[CH]1[CH]2CCC[CH]2CN1C(=O)[CH](NC(=O)OC)C(C)(C)C;CC(C)(C)C(C(=O)N1CC2CCCC2C1C(=O)NC(CCC(C)(F)F)C(C(=O)NC)O)NC(=O)OC","InChI=1S/C24H40F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-18,31H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,17+,18+/m0/s1","","2023-11-03","2024-09-27","methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)","2024-03-06"],["A1JAA","~{N}-(5-aminocarbonyl-1~{H}-pyrrol-3-yl)-2-(aminomethyl)-1,3-thiazole-5-carboxamide","C10 H11 N5 O2 S","NCc1sc(cn1)C(=O)Nc2c[nH]c(c2)C(N)=O;c1c(c[nH]c1C(=O)N)NC(=O)c2cnc(s2)CN","InChI=1S/C10H11N5O2S/c11-2-8-14-4-7(18-8)10(17)15-5-1-6(9(12)16)13-3-5/h1,3-4,13H,2,11H2,(H2,12,16)(H,15,17)","","2025-04-07","2026-04-24","~{N}-(5-aminocarbonyl-1~{H}-pyrrol-3-yl)-2-(aminomethyl)-1,3-thiazole-5-carboxamide","2026-04-29"],["G45","5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide","C24 H24 N6 O3 S2","CC(C)[C]1(c2cc(cc(c2)c3sc(cc3)[S](=O)(=O)N(C)C)C#N)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N","InChI=1S/C24H24N6O3S2/c1-13(2)24(18(12-26)22(27)33-23-21(24)14(3)28-29-23)17-9-15(11-25)8-16(10-17)19-6-7-20(34-19)35(31,32)30(4)5/h6-10,13H,27H2,1-5H3,(H,28,29)/t24-/m0/s1","","2016-09-14","2017-07-07","5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide","2017-07-12"],["ZRM","7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE","C18 H12 N2 O2 S","O=C2c1cc(sc1C(=CN2)c3ccc(O)cc3)c4ccncc4;Oc1ccc(cc1)C2=CNC(=O)c3cc(sc23)c4ccncc4;c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O","InChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22)","","2011-06-17","2014-09-05","7-(4-hydroxyphenyl)-2-(pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one",""],["A1EBZ","(1Z,3E,5E,7S,8R,9S,10S,11R,13R,15S,16Z,18E,24S)-11-ethyl-2,7-dihydroxy-10-methyl-21,25-diazatetracyclo[22.2.1.08,15.09,13]heptacosa-1,3,5,16,18-pentaene-20,26,27-trione","C29 H38 N2 O5","CC[CH]1C[CH]2C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O;CCC1CC2CC3C=CC=CC(=O)NCCCC4C(=O)C(=C(C=CC=CC(C3C2C1C)O)O)C(=O)N4","InChI=1S/C29H38N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,9,11-13,17-22,25-26,32-33H,3,8,10,14-16H2,1-2H3,(H,30,34)(H,31,36)/b9-4-,11-5+,12-6+,13-7+,27-23-/t17-,18+,19+,20+,21-,22-,25+,26-/m0/s1","","2024-09-14","2025-06-13","","2025-06-18"],["A1B1R","(6M)-6-[2-chloro-4-(cyclopropylmethoxy)phenyl]-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C19 H19 Cl N4 O2","Clc1cc(OCC2CC2)ccc1C1=Cc2cnc(nc2N(C)C1=O)NC;CNc1ncc2C=C(C(=O)N(C)c2n1)c3ccc(OCC4CC4)cc3Cl;CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)OCC4CC4)C","InChI=1S/C19H19ClN4O2/c1-21-19-22-9-12-7-15(18(25)24(2)17(12)23-19)14-6-5-13(8-16(14)20)26-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,21,22,23)","","2025-03-20","2026-03-27","(6M)-6-[2-chloro-4-(cyclopropylmethoxy)phenyl]-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","2026-04-01"],["A1JBA","2,5-dichloro-4-methylthiophene-3-sulfonamide","C5 H5 Cl2 N O2 S2","Cc1c(Cl)sc(Cl)c1[S](N)(=O)=O;Cc1c(c(sc1Cl)Cl)S(=O)(=O)N","InChI=1S/C5H5Cl2NO2S2/c1-2-3(12(8,9)10)5(7)11-4(2)6/h1H3,(H2,8,9,10)","2,5-bis(chloranyl)-4-methyl-thiophene-3-sulfonamide","2025-04-16","2026-04-24","2,5-bis(chloranyl)-4-methyl-thiophene-3-sulfonamide","2026-04-29"],["XKR","N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide","C18 H17 Cl F2 N4 O3 S","O=C(NC(CN)c1nc(CO)c(CO)s1)c1ccc([NH]1)c1cc(F)c(Cl)c(F)c1;NC[CH](NC(=O)c1[nH]c(cc1)c2cc(F)c(Cl)c(F)c2)c3sc(CO)c(CO)n3;c1cc([nH]c1c2cc(c(c(c2)F)Cl)F)C(=O)NC(CN)c3nc(c(s3)CO)CO","InChI=1S/C18H17ClF2N4O3S/c19-16-9(20)3-8(4-10(16)21)11-1-2-12(23-11)17(28)24-13(5-22)18-25-14(6-26)15(7-27)29-18/h1-4,13,23,26-27H,5-7,22H2,(H,24,28)/t13-/m0/s1","NBD-14208","2022-11-28","2023-01-06","N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide","2023-01-11"],["G46","GUANOSINE-5'-MONOTHIOPHOSPHATE","C10 H14 N5 O7 P S","O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(S)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)S)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(19,20)24/h2-3,5-6,9,16-17H,1H2,(H2,19,20,24)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","5'-O-thiophosphonoguanosine","1998-01-07","2020-06-17","5'-O-thiophosphonoguanosine",""],["A1ECA","methyl 4-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-(2,2-dimethylpropyl)amino]-4-oxidanylidene-but-2-enoate","C14 H23 N O5 S","COC(=O)C=CC(=O)N(CC(C)(C)C)[CH]1CC[S](=O)(=O)C1;CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)C=CC(=O)OC","InChI=1S/C14H23NO5S/c1-14(2,3)10-15(11-7-8-21(18,19)9-11)12(16)5-6-13(17)20-4/h5-6,11H,7-10H2,1-4H3/b6-5-/t11-/m0/s1","","2024-09-24","2026-03-20","methyl 4-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-(2,2-dimethylpropyl)amino]-4-oxidanylidene-but-2-enoate","2026-03-25"],["ZRN","(2R,3S)-3-[(2S)-2-amino-4,4-diethyl-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide","C29 H36 N4 O5","OC1Cc2ccccc2C1NC(=O)c1cc2c(cc1)OC(C)(COC)C2N1C(=N)NC(CC)(CC)CC1=O;CCC1(CC)CC(=O)N([CH]2c3cc(ccc3O[C]2(C)COC)C(=O)N[CH]4[CH](O)Cc5ccccc45)C(=N)N1;CCC1(CC(=O)N(C(=N)N1)C2c3cc(ccc3OC2(C)COC)C(=O)NC4c5ccccc5CC4O)CC","InChI=1S/C29H36N4O5/c1-5-29(6-2)15-23(35)33(27(30)32-29)25-20-13-18(11-12-22(20)38-28(25,3)16-37-4)26(36)31-24-19-10-8-7-9-17(19)14-21(24)34/h7-13,21,24-25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36)/t21-,24-,25+,28+/m1/s1","","2023-03-24","2025-02-21","(2R,3S)-3-[(2Z)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide","2025-02-26"],["A1ECF","Tolvaptan","C26 H25 Cl N2 O3","Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N3CCC[CH](O)c4cc(Cl)ccc34;Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)N3CCCC(c4c3ccc(c4)Cl)O","InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m0/s1","N-[4-[[(5S)-7-chloranyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide","2024-09-26","2025-12-05","~{N}-[4-[[(5~{S})-7-chloranyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide","2025-12-10"],["G47","N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C12 H18 N5 O7 P S","O=C1c2ncn(c2N=C(NCCS)N1)C3OC(C(O)C3)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCCS;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS","InChI=1S/C12H18N5O7PS/c18-6-3-8(24-7(6)4-23-25(20,21)22)17-5-14-9-10(17)15-12(13-1-2-26)16-11(9)19/h5-8,18,26H,1-4H2,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1","","1999-10-14","2024-09-27","2'-deoxy-N-(2-sulfanylethyl)guanosine 5'-(dihydrogen phosphate)",""],["XKS","azetidin-3-ol","C3 H7 N O","OC1CNC1;OC1CNC1;C1C(CN1)O","InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2","","2020-12-18","2021-06-18","azetidin-3-ol","2021-06-23"],["A1JBB","thiophene-3-sulfonamide","C4 H5 N O2 S2","N[S](=O)(=O)c1cscc1;c1cscc1S(=O)(=O)N","InChI=1S/C4H5NO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H,(H2,5,6,7)","","2025-04-16","2026-04-24","thiophene-3-sulfonamide","2026-04-29"],["A1B1U","(6M)-6-(2-chloro-4-methoxyphenyl)-8-methyl-2-[3-(piperazine-1-sulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one","C25 H25 Cl N6 O4 S","O=S(=O)(c1cc(Nc2nc3N(C)C(=O)C(=Cc3cn2)c2ccc(OC)cc2Cl)ccc1)N1CCNCC1;COc1ccc(c(Cl)c1)C2=Cc3cnc(Nc4cccc(c4)[S](=O)(=O)N5CCNCC5)nc3N(C)C2=O;CN1c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)OC","InChI=1S/C25H25ClN6O4S/c1-31-23-16(12-21(24(31)33)20-7-6-18(36-2)14-22(20)26)15-28-25(30-23)29-17-4-3-5-19(13-17)37(34,35)32-10-8-27-9-11-32/h3-7,12-15,27H,8-11H2,1-2H3,(H,28,29,30)","","2025-03-20","2026-03-27","(6M)-6-(2-chloro-4-methoxyphenyl)-8-methyl-2-[3-(piperazine-1-sulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one","2026-04-01"],["ZRO","2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H11 F3 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C(F)(F)F;OC(=O)C1=C(CCc2ccc(cc2)C(F)(F)F)C(=O)NC(=O)N1;c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F","InChI=1S/C14H11F3N2O4/c15-14(16,17)8-4-1-7(2-5-8)3-6-9-10(12(21)22)18-13(23)19-11(9)20/h1-2,4-5H,3,6H2,(H,21,22)(H2,18,19,20,23)","","2012-12-03","2013-11-29","2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-12-04"],["A1AKF","(3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C16 H13 F N4 O3","Fc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(F)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)F","InChI=1S/C16H13FN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1","","2024-04-03","2024-05-10","(3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2024-05-15"],["ZRP","4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide","C23 H28 N4 O","CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)NCCCCCC;CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1;CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3","InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27)","","2021-05-25","2021-10-29","4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide","2021-11-03"],["XKT","2-(3,4-dichlorophenyl)-1-{8-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one","C24 H20 Cl2 F N O","Clc1ccc(cc1Cl)CC(=O)N1Cc2c(cccc2Cc2ccc(F)cc2)CC1;Fc1ccc(Cc2cccc3CCN(Cc23)C(=O)Cc4ccc(Cl)c(Cl)c4)cc1;c1cc2c(c(c1)Cc3ccc(cc3)F)CN(CC2)C(=O)Cc4ccc(c(c4)Cl)Cl","InChI=1S/C24H20Cl2FNO/c25-22-9-6-17(13-23(22)26)14-24(29)28-11-10-18-2-1-3-19(21(18)15-28)12-16-4-7-20(27)8-5-16/h1-9,13H,10-12,14-15H2","","2023-06-07","2024-12-13","2-(3,4-dichlorophenyl)-1-{8-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one","2024-12-18"],["A1JBE","2-(4-~{tert}-butylphenoxy)acetamide","C12 H17 N O2","CC(C)(C)c1ccc(OCC(N)=O)cc1;CC(C)(C)c1ccc(cc1)OCC(=O)N","InChI=1S/C12H17NO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H2,13,14)","2-(4-~{tert}-butylphenoxy)ethanamide","2025-04-28","2026-05-01","2-(4-~{tert}-butylphenoxy)ethanamide","2026-05-06"],["A1B29","(3S)-1-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide","C16 H20 N2 O2 S","NC(=O)C1CCCN(C1)C(=O)C1CCSc2ccccc21;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCSc3ccccc23;c1ccc2c(c1)C(CCS2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C16H20N2O2S/c17-15(19)11-4-3-8-18(10-11)16(20)13-7-9-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,13H,3-4,7-10H2,(H2,17,19)/t11-,13+/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide","2025-04-02"],["A1ECV","Chlorophyll C3","C36 H28 Mg N4 O7","COC(=O)[CH]1C(=O)C2=C(C)C3=Cc4n5c(C=C6C(=C(C)C7=[N+]6[Mg]58[N]9C(=C7)C(=C(C=CC(O)=O)C9=C1C2=[N+]38)C)C=C)c(C(=O)OC)c4C=C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg]47n2c(c1C=CC(=O)O)c8c9[n+]7c(c6)C(=C9C(=O)C8C(=O)OC)C)C=C)C(=O)OC)C(=C3C)C=C","InChI=1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21;/h8-14,31H,1-2H2,3-7H3,(H3,37,38,39,40,41,42,43,44);/q;+4/p-2/b11-10+,21-12-,22-12-,23-13-,24-14-,25-13-,26-14-,32-30-;/t31-;/m1./s1","magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate","2024-10-02","2025-08-15","","2025-08-20"],["G48","2'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE","C13 H20 N5 O9 P","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(OCCOC)C3O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;COCCOC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O","InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-8(19)6(4-26-28(21,22)23)27-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1","","1999-05-12","2013-01-10","2'-O-(2-methoxyethyl)guanosine 5'-(dihydrogen phosphate)",""],["A1AKR","3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid","C20 H19 N5 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)Nc1c2cccnc2n(C)c1C(=O)O;Cn1c2ncccc2c(NC(=O)c3ccc(NC(=O)NC4CC4)cc3)c1C(O)=O;Cn1c(c(c2c1nccc2)NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C20H19N5O4/c1-25-16(19(27)28)15(14-3-2-10-21-17(14)25)24-18(26)11-4-6-12(7-5-11)22-20(29)23-13-8-9-13/h2-7,10,13H,8-9H2,1H3,(H,24,26)(H,27,28)(H2,22,23,29)","","2024-04-04","2024-05-10","3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid","2024-05-15"],["G49","N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=C1c2ncn(c2N=C(NC)N1)C3OC(C(O)C3)COP(=O)(O)O;CNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1","InChI=1S/C11H16N5O7P/c1-12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,19,20,21)(H2,12,14,15,18)/t5-,6+,7+/m0/s1","","2000-01-24","2011-06-04","2'-deoxy-N-methylguanosine 5'-(dihydrogen phosphate)",""],["A1EDA","4-methanoyl-~{N}-methyl-benzamide","C9 H9 N O2","CNC(=O)c1ccc(C=O)cc1;CNC(=O)c1ccc(cc1)C=O","InChI=1S/C9H9NO2/c1-10-9(12)8-4-2-7(6-11)3-5-8/h2-6H,1H3,(H,10,12)","","2024-10-11","2026-01-09","4-methanoyl-~{N}-methyl-benzamide","2026-01-14"],["XKU","1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol","C20 H27 F3 N6 O3 S","O=S(=O)(C1CC1)N1CCC(Nc2nc(c3cn(CC(C)(C)O)nc3)c(cn2)C(F)(F)F)CC1;CC(C)(O)Cn1cc(cn1)c2nc(NC3CCN(CC3)[S](=O)(=O)C4CC4)ncc2C(F)(F)F;CC(C)(Cn1cc(cn1)c2c(cnc(n2)NC3CCN(CC3)S(=O)(=O)C4CC4)C(F)(F)F)O","InChI=1S/C20H27F3N6O3S/c1-19(2,30)12-28-11-13(9-25-28)17-16(20(21,22)23)10-24-18(27-17)26-14-5-7-29(8-6-14)33(31,32)15-3-4-15/h9-11,14-15,30H,3-8,12H2,1-2H3,(H,24,26,27)","","2023-11-03","2024-02-09","1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol","2024-02-14"],["ZRR","(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol","C22 H28 N10 O","CC(C)n1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c32)c1;CC(C)n1nnc(n1)c2cc(O)cc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)c2;CC(C)n1nc(nn1)c2cc(cc(c2)O)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N","InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)","","2023-03-27","2023-07-07","(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol","2023-07-12"],["A1JBP","Trigonelline","C7 H8 N O2","C[n+]1cccc(c1)C(O)=O;C[n+]1cccc(c1)C(=O)O","InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1","1-methylpyridin-1-ium-3-carboxylic acid","2025-05-01","2026-04-24","1-methylpyridin-1-ium-3-carboxylic acid","2026-04-29"],["A1B2Q","(3S)-1-{[2-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide","C14 H18 N2 O2 S","NC(=O)C1CCC(=O)N(Cc2ccccc2SC)C1;CSc1ccccc1CN2C[CH](CCC2=O)C(N)=O;CSc1ccccc1CN2CC(CCC2=O)C(=O)N","InChI=1S/C14H18N2O2S/c1-19-12-5-3-2-4-10(12)8-16-9-11(14(15)18)6-7-13(16)17/h2-5,11H,6-9H2,1H3,(H2,15,18)/t11-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-{[2-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide","2025-04-02"],["A1B3F","1-(4-hydroxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-[2-(methylsulfanyl)phenyl]ethan-1-one","C17 H18 N2 O2 S","CSc1ccccc1CC(=O)N1CCc2nccc(O)c2C1;CSc1ccccc1CC(=O)N2CCc3nccc(O)c3C2;CSc1ccccc1CC(=O)N2CCc3c(c(ccn3)O)C2","InChI=1S/C17H18N2O2S/c1-22-16-5-3-2-4-12(16)10-17(21)19-9-7-14-13(11-19)15(20)6-8-18-14/h2-6,8H,7,9-11H2,1H3,(H,18,20)","","2025-03-21","2025-03-28","1-(4-hydroxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-[2-(methylsulfanyl)phenyl]ethan-1-one","2025-04-02"],["ZRS","4-(1H-1,2,4-triazol-1-yl)benzoic acid","C9 H7 N3 O2","O=C(O)c1ccc(cc1)n1cncn1;OC(=O)c1ccc(cc1)n2cncn2;c1cc(ccc1C(=O)O)n2cncn2","InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)","","2021-05-27","2022-01-28","4-(1H-1,2,4-triazol-1-yl)benzoic acid","2022-02-02"],["XKV","(2R)-2-aminobutanamide","C4 H10 N2 O","CCC(N)C(N)=O;CC[CH](N)C(N)=O;CCC(C(=O)N)N","InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)","","2020-12-18","2021-06-18","(2R)-2-aminobutanamide","2021-06-23"],["A1JCA","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyl-2,3-bis(oxidanyl)propanethioate","C25 H42 N7 O19 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)[C](C)(O)CO;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(CO)O)O","InChI=1S/C25H42N7O19P3S/c1-24(2,18(36)21(37)28-5-4-14(34)27-6-7-55-23(38)25(3,39)9-33)10-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(35)22(49-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,33,35-36,39H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,16-,17-,18+,22-,25+/m1/s1","","2025-05-07","2026-01-30","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyl-2,3-bis(oxidanyl)propanethioate","2026-02-04"],["A1EDB","~{N}-cyclopropyl-4-methyl-benzamide","C11 H13 N O","Cc1ccc(cc1)C(=O)NC2CC2;Cc1ccc(cc1)C(=O)NC2CC2","InChI=1S/C11H13NO/c1-8-2-4-9(5-3-8)11(13)12-10-6-7-10/h2-5,10H,6-7H2,1H3,(H,12,13)","","2024-10-11","2026-01-09","~{N}-cyclopropyl-4-methyl-benzamide","2026-01-14"],["G4A","2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium","C19 H19 N2 O4 S2","c4c3c(OC(=C/c2sc1ccccc1[n+]2CCCS(O)(=O)=O)N3C)ccc4;CN1C(Oc2ccccc12)=Cc3sc4ccccc4[n+]3CCC[S](O)(=O)=O;CN1c2ccccc2OC1=Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O","InChI=1S/C19H18N2O4S2/c1-20-14-7-2-4-9-16(14)25-18(20)13-19-21(11-6-12-27(22,23)24)15-8-3-5-10-17(15)26-19/h2-5,7-10,13H,6,11-12H2,1H3/p+1","","2018-05-04","2018-11-09","2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium","2018-11-14"],["XKW","(5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide","C17 H16 F3 N5 O2 S","O=C(NC(CN)c1ncc(CO)s1)c1ccc([NH]1)c1ccc(cn1)C(F)(F)F;NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(cn2)C(F)(F)F)c3sc(CO)cn3;c1cc(ncc1C(F)(F)F)c2ccc([nH]2)C(=O)NC(CN)c3ncc(s3)CO","InChI=1S/C17H16F3N5O2S/c18-17(19,20)9-1-2-11(22-6-9)12-3-4-13(24-12)15(27)25-14(5-21)16-23-7-10(8-26)28-16/h1-4,6-7,14,24,26H,5,8,21H2,(H,25,27)/t14-/m0/s1","","2022-11-28","2023-01-06","(5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide","2023-01-11"],["G4B","THALASSOSPIRAMIDE C","C43 H61 N5 O9","CCCCCCC=CCC(=O)N[CH](Cc1ccc(O)cc1)C(=O)N[CH](C(C)C)C(=O)N[CH]2CCC(=O)N[CH](C(C)C)C(=O)N[CH](Cc3ccc(O)cc3)C(=O)OC2;CCCCCCC=CCC(=O)NC(Cc1ccc(cc1)O)C(=O)NC(C(C)C)C(=O)NC2CCC(=O)NC(C(=O)NC(C(=O)OC2)Cc3ccc(cc3)O)C(C)C","InChI=1S/C43H61N5O9/c1-6-7-8-9-10-11-12-13-36(51)45-34(24-29-14-19-32(49)20-15-29)40(53)48-39(28(4)5)41(54)44-31-18-23-37(52)47-38(27(2)3)42(55)46-35(43(56)57-26-31)25-30-16-21-33(50)22-17-30/h11-12,14-17,19-22,27-28,31,34-35,38-39,49-50H,6-10,13,18,23-26H2,1-5H3,(H,44,54)(H,45,51)(H,46,55)(H,47,52)(H,48,53)/b12-11-/t31-,34+,35+,38+,39+/m1/s1","","2018-08-24","2024-09-27","(~{Z})-~{N}-[(2~{S})-3-(4-hydroxyphenyl)-1-[[(2~{S})-1-[[(3~{S},6~{S},11~{R})-3-[(4-hydroxyphenyl)methyl]-2,5,8-tris(oxidanylidene)-6-propan-2-yl-1-oxa-4,7-diazacyclododec-11-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]dec-3-enamide","2019-06-26"],["ZRT","N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide","C30 H36 N8 O3","CN(C)Cc1cn(nc1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc1OC)N1CCOCC1;CCC(=O)Nc1cc(Nc2nccc(n2)n3cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5;CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3)n4cc(c(n4)c5ccccc5)CN(C)C","InChI=1S/C30H36N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h6-12,17-18,20H,5,13-16,19H2,1-4H3,(H,32,39)(H,31,33,34)","lazertinib, bound form","2022-04-18","2024-09-27","N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide","2022-11-23"],["A1EDF","2-chloranyl-3-(3-ethylphenoxy)-6-nitro-aniline","C14 H13 Cl N2 O3","CCc1cccc(Oc2ccc(c(N)c2Cl)[N+]([O-])=O)c1;CCc1cccc(c1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-]","InChI=1S/C14H13ClN2O3/c1-2-9-4-3-5-10(8-9)20-12-7-6-11(17(18)19)14(16)13(12)15/h3-8H,2,16H2,1H3","","2024-10-12","2026-04-10","2-chloranyl-3-(3-ethylphenoxy)-6-nitro-aniline","2026-04-15"],["A1B3Y","(3S)-1-[(1-methyl-1H-indazol-6-yl)methyl]-6-oxopiperidine-3-carboxamide","C15 H18 N4 O2","NC(=O)C1CCC(=O)N(C1)Cc1ccc2cnn(C)c2c1;Cn1ncc2ccc(CN3C[CH](CCC3=O)C(N)=O)cc12;Cn1c2cc(ccc2cn1)CN3CC(CCC3=O)C(=O)N","InChI=1S/C15H18N4O2/c1-18-13-6-10(2-3-11(13)7-17-18)8-19-9-12(15(16)21)4-5-14(19)20/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,16,21)/t12-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(1-methyl-1H-indazol-6-yl)methyl]-6-oxopiperidine-3-carboxamide","2025-04-02"],["A1JCR","4-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoranyl-phenoxy]-~{N}-methyl-pyridine-2-carboxamide","C21 H15 Cl F4 N4 O3","CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1;CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl","InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)","","2025-05-09","2026-05-01","4-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoranyl-phenoxy]-~{N}-methyl-pyridine-2-carboxamide","2026-05-06"],["A1AKY","6-hydroxy-2-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","C11 H7 N3 O3 S","O=C1Nc2sc(nc2C(=O)N1O)c1ccccc1;ON1C(=O)Nc2sc(nc2C1=O)c3ccccc3;c1ccc(cc1)c2nc3c(s2)NC(=O)N(C3=O)O","InChI=1S/C11H7N3O3S/c15-10-7-9(13-11(16)14(10)17)18-8(12-7)6-4-2-1-3-5-6/h1-5,17H,(H,13,16)","","2024-04-05","2025-04-04","6-hydroxy-2-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","2025-04-09"],["A1EDS","(12~{R})-7-[(4-chlorophenyl)methyl]-12-(ethoxymethyl)-11-[(3-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),5-dien-8-one","C26 H28 Cl F N4 O2","CCOC[CH]1CC2=C(CN1Cc3cccc(F)c3)C(=O)N(Cc4ccc(Cl)cc4)C5=NCCN25;CCOCC1CC2=C(CN1Cc3cccc(c3)F)C(=O)N(C4=NCCN24)Cc5ccc(cc5)Cl","InChI=1S/C26H28ClFN4O2/c1-2-34-17-22-13-24-23(16-30(22)14-19-4-3-5-21(28)12-19)25(33)32(26-29-10-11-31(24)26)15-18-6-8-20(27)9-7-18/h3-9,12,22H,2,10-11,13-17H2,1H3/t22-/m1/s1","","2024-10-16","2025-12-26","(12~{R})-7-[(4-chlorophenyl)methyl]-12-(ethoxymethyl)-11-[(3-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),5-dien-8-one","2025-12-31"],["XKX","2-{6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1H-indol-1-yl}-N,N-dimethylacetamide","C26 H30 Cl N3 O3","O=C(c1cn(CC(=O)N(C)C)c2cc(Cl)c(C)cc21)N1CCC(CC1)c1ccccc1OC;COc1ccccc1C2CCN(CC2)C(=O)c3cn(CC(=O)N(C)C)c4cc(Cl)c(C)cc34;Cc1cc2c(cc1Cl)n(cc2C(=O)N3CCC(CC3)c4ccccc4OC)CC(=O)N(C)C","InChI=1S/C26H30ClN3O3/c1-17-13-20-21(15-30(16-25(31)28(2)3)23(20)14-22(17)27)26(32)29-11-9-18(10-12-29)19-7-5-6-8-24(19)33-4/h5-8,13-15,18H,9-12,16H2,1-4H3","","2023-06-07","2024-12-13","2-{6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1H-indol-1-yl}-N,N-dimethylacetamide","2024-12-18"],["ZRU","(8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C17 H19 N7 O2","COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1CC1;CNc1cc(Nc2cccnc2OC)nc3n1ncc3C(=O)NC4CC4;CNc1cc(nc2n1ncc2C(=O)NC3CC3)Nc4cccnc4OC","InChI=1S/C17H19N7O2/c1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23)","","2023-03-28","2023-07-21","(8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2023-07-26"],["G4C","2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone","C24 H29 Cl2 N O3","C[CH]1N([CH](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl;CC1c2cccc(c2CC(N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O","InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1","","2020-07-21","2021-02-26","2-[2,6-bis(chloranyl)phenyl]-1-[(1~{S},3~{R})-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethanone","2021-03-03"],["A1B5U","(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide","C16 H20 N2 O2","NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12;NC(=O)[CH]1CCC(=O)N(C1)[CH]2CCCc3ccccc23;c1ccc2c(c1)CCCC2N3CC(CCC3=O)C(=O)N","InChI=1S/C16H20N2O2/c17-16(20)12-8-9-15(19)18(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2,(H2,17,20)/t12-,14-/m0/s1","","2025-03-24","2025-03-28","(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide","2025-04-02"],["A1JDE","4-(4-phenylmethoxyphenyl)sulfonylphenol","C19 H16 O4 S","Oc1ccc(cc1)[S](=O)(=O)c2ccc(OCc3ccccc3)cc2;c1ccc(cc1)COc2ccc(cc2)S(=O)(=O)c3ccc(cc3)O","InChI=1S/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2","UWPJWCBDMZHMTN-UHFFFAOYSA-N","2025-05-14","2026-02-13","4-(4-phenylmethoxyphenyl)sulfonylphenol","2026-02-18"],["XKY","(4S)-imidazolidine-4-carbonitrile","C4 H7 N3","N#CC1NCNC1;N#C[CH]1CNCN1;C1C(NCN1)C#N","InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2","","2020-12-18","2021-06-18","(4S)-imidazolidine-4-carbonitrile","2021-06-23"],["A1JDF","~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide","C26 H25 F N6 O3 S","Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3cnn(C4CC4)c23)[S](=O)(=O)c5cc(C)c6n[nH]cc6c5;Cc1cc(cc2c1n[nH]c2)S(=O)(=O)c3cc(n(c3C)C)C(=O)NCc4c(ccc5c4n(nc5)C6CC6)F","InChI=1S/C26H25FN6O3S/c1-14-8-19(9-17-11-29-31-24(14)17)37(35,36)23-10-22(32(3)15(23)2)26(34)28-13-20-21(27)7-4-16-12-30-33(25(16)20)18-5-6-18/h4,7-12,18H,5-6,13H2,1-3H3,(H,28,34)(H,29,31)","","2025-05-15","2025-08-22","~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide","2025-08-27"],["G4D","4-deoxy-alpha-D-glucopyranose","C6 H12 O5","OC1CC(OC(O)C1O)CO;OC[CH]1C[CH](O)[CH](O)[CH](O)O1;C1C(OC(C(C1O)O)O)CO","InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1","4-DEOXY-ALPHA-D-GLUCOSE; 4-deoxy-D-glucose; 4-deoxy-glucose","1999-07-08","2020-07-17","4-deoxy-alpha-D-xylo-hexopyranose",""],["A1EDT","3-(1,3-benzoxazol-5-yloxy)-2-chloranyl-6-nitro-aniline","C13 H8 Cl N3 O4","Nc1c(Cl)c(Oc2ccc3ocnc3c2)ccc1[N+]([O-])=O;c1cc2c(cc1Oc3ccc(c(c3Cl)N)[N+](=O)[O-])nco2","InChI=1S/C13H8ClN3O4/c14-12-11(4-2-9(13(12)15)17(18)19)21-7-1-3-10-8(5-7)16-6-20-10/h1-6H,15H2","","2024-10-16","2026-04-10","3-(1,3-benzoxazol-5-yloxy)-2-chloranyl-6-nitro-aniline","2026-04-15"],["A1AKZ","(3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C17 H17 N5 O5 S","CS(=O)(=O)Nc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;C[S](=O)(=O)Nc1cccc(c1)[CH](CC(O)=O)NC(=O)c2ncnc3[nH]ccc23;CS(=O)(=O)Nc1cccc(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2","InChI=1S/C17H17N5O5S/c1-28(26,27)22-11-4-2-3-10(7-11)13(8-14(23)24)21-17(25)15-12-5-6-18-16(12)20-9-19-15/h2-7,9,13,22H,8H2,1H3,(H,21,25)(H,23,24)(H,18,19,20)/t13-/m0/s1","","2024-04-05","2024-05-10","(3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2024-05-15"],["ZRV","4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide","C30 H28 F2 N4 O2","CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc3)c(cnc2cc1F)C(=O)NC1CC1;CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(C(=O)NC4CC4)c3Nc5ccccc5;CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5","InChI=1S/C30H28F2N4O2/c1-2-3-13-33-29(37)21-12-9-18(14-25(21)31)22-15-23-27(16-26(22)32)34-17-24(30(38)36-20-10-11-20)28(23)35-19-7-5-4-6-8-19/h4-9,12,14-17,20H,2-3,10-11,13H2,1H3,(H,33,37)(H,34,35)(H,36,38)","","2021-05-27","2021-10-29","4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide","2021-11-03"],["A1B7B","(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C30 H37 Br F3 N5 O5 S","FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(Br)ccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5ccc(Br)cc5n4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5cc(ccc5s4)Br)O)C","InChI=1S/C30H37BrF3N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(31)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15-,17-,19-,20-,21-,22-/m0/s1","TKB-276-5Br","2025-03-28","2025-05-30","(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2025-06-04"],["G4E","~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine","C21 H19 N5 O","Cc1cccc(Nc2[nH]c(nn2)c3ccc(Oc4ccncc4)cc3)c1C;Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4","InChI=1S/C21H19N5O/c1-14-4-3-5-19(15(14)2)23-21-24-20(25-26-21)16-6-8-17(9-7-16)27-18-10-12-22-13-11-18/h3-13H,1-2H3,(H2,23,24,25,26)","","2018-08-24","2019-09-13","~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine","2019-09-18"],["XL0","(7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate","C40 H75 O10 P","O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCC/C=CCCCCCC)CCCCCCC/C=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P](O)(=O)OC[CH](O)CO;CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(CO)O","InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1","","2022-11-28","2024-03-08","(7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate","2024-03-13"],["A1EEE","(6~{S},9~{a}~{S})-6-(3-azidopropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","C26 H30 F3 N7 O3","FC(F)(F)CCCNC(=O)N1CCC(=O)N2[CH]1CN(Cc3cccc4ccccc34)C(=O)[CH]2CCCN=[N+]=[N-];c1ccc2c(c1)cccc2CN3CC4N(CCC(=O)N4C(C3=O)CCCN=[N+]=[N-])C(=O)NCCCC(F)(F)F","InChI=1S/C26H30F3N7O3/c27-26(28,29)12-5-13-31-25(39)35-15-11-23(37)36-21(10-4-14-32-33-30)24(38)34(17-22(35)36)16-19-8-3-7-18-6-1-2-9-20(18)19/h1-3,6-9,21-22H,4-5,10-17H2,(H,31,39)/t21-,22+/m0/s1","","2024-10-20","2025-02-14","(6~{S},9~{a}~{S})-6-(3-azidopropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2025-02-19"],["A1B7F","N-[10-(but-2-yn-1-yl)-3-fluoro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide","C26 H18 F N3 O4 S","O=C1Oc2ccc(cc2N1C)C(=O)Nc1ccc2N(CC#CC)C(=O)c3ccc(F)cc3Sc2c1;CC#CCN1C(=O)c2ccc(F)cc2Sc3cc(NC(=O)c4ccc5OC(=O)N(C)c5c4)ccc13;CC#CCN1c2ccc(cc2Sc3cc(ccc3C1=O)F)NC(=O)c4ccc5c(c4)N(C(=O)O5)C","InChI=1S/C26H18FN3O4S/c1-3-4-11-30-19-9-7-17(14-23(19)35-22-13-16(27)6-8-18(22)25(30)32)28-24(31)15-5-10-21-20(12-15)29(2)26(33)34-21/h5-10,12-14H,11H2,1-2H3,(H,28,31)","","2025-03-31","2026-04-24","N-[10-(but-2-yn-1-yl)-3-fluoro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide","2026-04-29"],["A1JEF","(2~{S},3~{R},4~{S})-4-azanyl-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol","C14 H22 N2 O2","CN(CCc1ccccc1)C[CH]2OC[CH](N)[CH]2O;CN(CCc1ccccc1)CC2C(C(CO2)N)O","InChI=1S/C14H22N2O2/c1-16(8-7-11-5-3-2-4-6-11)9-13-14(17)12(15)10-18-13/h2-6,12-14,17H,7-10,15H2,1H3/t12-,13-,14+/m0/s1","","2025-06-03","2025-12-26","(2~{S},3~{R},4~{S})-4-azanyl-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol","2025-12-31"],["ZRW","W-Zr-cluster","H2 O61 P2 W17 Zr","O.O=[W]123O[Zr]45O[W]67(O[PH]89O[W]%10%11(=O)(O4)O[W]%12(=O)(O5)O[W]%13%14(=O)O[W]%15%16(=O)(O[PH]%17%18O[W]%19%20%21(=O)O[W]%22(=O)(O1)O[W]%23(=O)(O8)(O6)O[W](=O)(O7)(O[W]%24(=O)(O[W](=O)(O%23)(O%19)O[W]%25%26(=O)(O%24)O[W]%27(=O)(O%13)(O%15)O[W](=O)(O%20)(O[W](=O)(O%17)(O%14)(O[W](=O)(O9)(O2)(O%12)O%22)O%21)(O%25)[O]%18%26%27)O%16)O%10)O%11)O3;O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O]","InChI=1S/2HO4P.H2O.52O.17W.Zr/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*5H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;/p-1","","2018-10-22","2019-10-25","","2019-10-30"],["XL1","ETHANETHIOL","C2 H6 S","SCC;CCS;CCS","InChI=1/C2H6S/c1-2-3/h3H,2H2,1H3","","1999-09-02","2008-10-14","ethanethiol",""],["G4F","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","C16 H24 F N5 O15 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](F)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)F)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H24FN5O15P2/c17-6-4(1-23)35-15(11(27)9(6)25)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1","","2018-06-06","2018-07-13","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","2018-07-18"],["A1B7R","(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline","C18 H14 N4","Cc1cnc(cc1)c1n[NH]cc1c1ccnc2ccccc21;Cc1ccc(nc1)c2n[nH]cc2c3ccnc4ccccc34;Cc1ccc(nc1)c2c(c[nH]n2)c3ccnc4c3cccc4","InChI=1S/C18H14N4/c1-12-6-7-17(20-10-12)18-15(11-21-22-18)13-8-9-19-16-5-3-2-4-14(13)16/h2-11H,1H3,(H,21,22)","","2025-04-04","2025-10-03","(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline","2025-10-08"],["A1EEF","(6~{S},9~{a}~{S})-6-(1~{H}-imidazol-5-ylmethyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","C30 H30 N6 O3","O=C1CCN([CH]2CN(Cc3cccc4ccccc34)C(=O)[CH](Cc5[nH]cnc5)N12)C(=O)NCc6ccccc6;c1ccc(cc1)CNC(=O)N2CCC(=O)N3C2CN(C(=O)C3Cc4cnc[nH]4)Cc5cccc6c5cccc6","InChI=1S/C30H30N6O3/c37-28-13-14-35(30(39)32-16-21-7-2-1-3-8-21)27-19-34(18-23-11-6-10-22-9-4-5-12-25(22)23)29(38)26(36(27)28)15-24-17-31-20-33-24/h1-12,17,20,26-27H,13-16,18-19H2,(H,31,33)(H,32,39)/t26-,27+/m0/s1","","2024-10-20","2025-02-14","(6~{S},9~{a}~{S})-6-(1~{H}-imidazol-5-ylmethyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2025-02-19"],["ZRY","(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine","C14 H12 N4","NC1=N/C(=NNc2ccccc2)c2ccccc12;NC1=NC(=NNc2ccccc2)c3ccccc13;c1ccc(cc1)NN=C2c3ccccc3C(=N2)N","InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)","","2021-05-28","2024-11-25","(1Z)-1-(2-phenylhydrazinylidene)-1H-isoindol-3-amine","2021-09-01"],["A1JFB","Zilurgisertib","C30 H40 N4 O3","Nc1ncc(cc1C(=O)NC23CCC(O)(CC2)CC3)C4=CCC(=CC4)[C]56C[CH]5CN(C6)C7CCOCC7;c1c(cnc(c1C(=O)NC23CCC(CC2)(CC3)O)N)C4=CCC(=CC4)C56CC5CN(C6)C7CCOCC7","InChI=1S/C30H40N4O3/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24/h1,4,15,17,23-24,36H,2-3,5-14,16,18-19H2,(H2,31,32)(H,33,35)/t23-,28-,29+,30+/m1/s1","2-azanyl-5-[4-[(1~{R},5~{S})-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,4-dien-1-yl]-~{N}-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide","2025-06-04","2025-11-07","2-azanyl-5-[4-[(1~{R},5~{S})-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,4-dien-1-yl]-~{N}-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide","2025-11-12"],["A1ALB","3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline","C12 H9 N3 O","Nc1cccc(c1)c1nc2ncccc2o1;Nc1cccc(c1)c2oc3cccnc3n2;c1cc(cc(c1)N)c2nc3c(o2)cccn3","InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2","","2024-04-08","2024-06-07","3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline","2024-06-12"],["A1JGQ","ethyl 3-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate","C18 H16 F N3 O4 S","CCOC(=O)c1sc2N=CN(CC(=O)Nc3ccccc3F)C(=O)c2c1C;CCOC(=O)c1c(c2c(s1)N=CN(C2=O)CC(=O)Nc3ccccc3F)C","InChI=1S/C18H16FN3O4S/c1-3-26-18(25)15-10(2)14-16(27-15)20-9-22(17(14)24)8-13(23)21-12-7-5-4-6-11(12)19/h4-7,9H,3,8H2,1-2H3,(H,21,23)","","2025-06-12","2025-12-19","ethyl 3-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate","2025-12-24"],["A1EET","[(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] (9~{Z},12~{Z})-octadeca-9,12-dienoate","C24 H45 O9 P","CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](O)CO;CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O","InChI=1S/C24H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h6-7,9-10,22-23,25-27H,2-5,8,11-21H2,1H3,(H,29,30)/b7-6-,10-9-/t22-,23+/m0/s1","LPG(18:2)","2024-10-31","2026-05-01","[(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] (9~{Z},12~{Z})-octadeca-9,12-dienoate","2026-05-06"],["A1B7Y","[(7-cyclopropyl-6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","C13 H13 F N O4 P","O=P(O)(O)CC1=CC(=O)Nc2cc(c(F)cc21)C1CC1;O[P](O)(=O)CC1=CC(=O)Nc2cc(C3CC3)c(F)cc12;c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3","InChI=1S/C13H13FNO4P/c14-11-4-10-8(6-20(17,18)19)3-13(16)15-12(10)5-9(11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)(H2,17,18,19)","","2025-04-07","2026-03-13","[(7-cyclopropyl-6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","2026-03-18"],["A1ALE","(2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid","C9 H18 N2 O3","NC(CCCCC(=O)N(C)C)C(=O)O;CN(C)C(=O)CCCC[CH](N)C(O)=O;CN(C)C(=O)CCCCC(C(=O)O)N","InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1","","2024-04-08","2024-09-27","(2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid","2024-07-03"],["XL2","2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide","C18 H19 F N4 O S","O=C(c1cc(F)cc2sc(nc12)Nc3ccc(cc3)C(N(C)C)C)N;C[CH](N(C)C)c1ccc(Nc2sc3cc(F)cc(C(N)=O)c3n2)cc1;CC(c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C","InChI=1S/C18H19FN4OS/c1-10(23(2)3)11-4-6-13(7-5-11)21-18-22-16-14(17(20)24)8-12(19)9-15(16)25-18/h4-10H,1-3H3,(H2,20,24)(H,21,22)/t10-/m1/s1","","2014-04-04","2015-03-27","2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide","2015-04-01"],["ZRZ","3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid","C16 H19 N O4","O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1;OC(=O)c1cccc(c1)C(=O)N2CCOC3(CCCC3)C2;c1cc(cc(c1)C(=O)O)C(=O)N2CCOC3(C2)CCCC3","InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20)","","2023-07-03","2024-03-01","3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid","2024-03-06"],["G4G","4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE","C32 H33 N5 O6 S2","O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc(C(=O)N)cc2)CNC3)Cc4ccccc4)c5ccc(C(=O)N)cc5;NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5ccc(cc5)C(N)=O;c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N","InChI=1S/C32H33N5O6S2/c33-31(38)25-11-15-27(16-12-25)44(40,41)36(21-23-7-3-1-4-8-23)29-19-35-20-30(29)37(22-24-9-5-2-6-10-24)45(42,43)28-17-13-26(14-18-28)32(34)39/h1-18,29-30,35H,19-22H2,(H2,33,38)(H2,34,39)/t29-,30-/m0/s1","","2007-05-16","2011-06-04","4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide",""],["A1ALF","N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide","C28 H40 N4 O4","OC1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)c1ccc(OCC)cc1)CN;CCOc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](CC(C)C)C(=O)N[CH](CN)C[CH]3CCN[CH]3O;CCOc1ccc(cc1)c2ccc(cc2)C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3O)CN","InChI=1S/C28H40N4O4/c1-4-36-24-11-9-20(10-12-24)19-5-7-21(8-6-19)27(34)32-25(15-18(2)3)28(35)31-23(17-29)16-22-13-14-30-26(22)33/h5-12,18,22-23,25-26,30,33H,4,13-17,29H2,1-3H3,(H,31,35)(H,32,34)","","2024-04-08","2025-04-11","N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide","2025-04-16"],["ZS0","3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE","C12 H9 F N4 O S","Fc1ccc(cc1)CN3c2ncnc2C(=O)NC3=S;Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1;c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F","InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)","","2011-06-21","2014-09-05","3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one",""],["A1EEZ","(2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid","C8 H15 N O7","CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC(C(C(C(CO)O)O)O)C(=O)O","InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5?,6+,7+/m0/s1","2-(acetylamino)-2-deoxy-D-gluconic acid","2024-11-01","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid","2025-03-19"],["XL3","propane-1-thiol","C3 H8 S","SCCC;CCCS;CCCS","InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3","","2007-12-20","2024-09-27","propane-1-thiol",""],["A1JHO","6S,6aS,7R,10S,10aR)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid","C23 H19 F6 N O2","OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F;c1cc2c(cc1C(=O)O)NC(C3C2C4CCC3C4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F","InChI=1S/C23H19F6NO2/c24-22(25,26)14-6-13(7-15(9-14)23(27,28)29)20-19-11-2-1-10(5-11)18(19)16-4-3-12(21(31)32)8-17(16)30-20/h3-4,6-11,18-20,30H,1-2,5H2,(H,31,32)/t10-,11+,18-,19-,20+/m0/s1","","2025-06-18","2025-08-08","","2025-08-13"],["A1B8A","3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate)","C16 H27 N8 O7 P","NCCCCC(N)C(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O;NCCCC[CH](N)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(CCCCN)N)O)N","InChI=1S/C16H27N8O7P/c17-4-2-1-3-8(18)15(26)23-10-9(5-30-32(27,28)29)31-16(12(10)25)24-7-22-11-13(19)20-6-21-14(11)24/h6-10,12,16,25H,1-5,17-18H2,(H,23,26)(H2,19,20,21)(H2,27,28,29)/t8-,9+,10+,12+,16+/m0/s1","","2025-04-09","2025-06-20","3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate)","2025-06-25"],["G4H","~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide","C37 H36 N6 O3","CCC(=O)Nc1ccc2N(C)C(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1;CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7","InChI=1S/C37H36N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h4-15,18,21-22,28H,3,16-17,19-20,23H2,1-2H3,(H,38,45)(H,39,44)","","2018-08-28","2024-09-27","~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide","2019-02-20"],["A1EFQ","1-(1H-pyrazol-3-yl)ethanone","C5 H6 N2 O","CC(=O)c1cc[nH]n1;CC(=O)c1cc[nH]n1","InChI=1S/C5H6N2O/c1-4(8)5-2-3-6-7-5/h2-3H,1H3,(H,6,7)","","2024-11-12","2025-11-07","1-(1~{H}-pyrazol-3-yl)ethanone","2025-11-12"],["ZS1","(1Z)-1-imino-1H-isoindol-3-amine","C8 H7 N3","N=C1N=C(N)c2ccccc12;NC1=NC(=N)c2ccccc12;c1ccc2c(c1)C(=NC2=N)N","InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)","","2021-05-28","2021-08-27","(1Z)-1-imino-1H-isoindol-3-amine","2021-09-01"],["A1B8E","[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile","C32 H37 Cl F N7 O2","CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(C)F)c1cccc2cccc(Cl)c21;C[CH](F)C(=O)N1CCN(C[CH]1CC#N)c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(Cl)c56;CC(C(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F","InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23+,24+/m1/s1","","2025-04-10","2025-07-18","{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2R)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile","2025-07-23"],["A1JHV","2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid","C9 H8 N2 O3 S","CC1=C(C)N2C(=NC=C(C(O)=O)C2=O)S1;CC1=C(SC2=NC=C(C(=O)N12)C(=O)O)C","InChI=1S/C9H8N2O3S/c1-4-5(2)15-9-10-3-6(8(13)14)7(12)11(4)9/h3H,1-2H3,(H,13,14)","","2025-06-20","2026-02-20","2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid","2026-02-25"],["G4I","(1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid","C25 H27 F3 N6 O3","CC(O)=Nc1cccc(N=C2NC(=NC=N2)N3CCC(CC3)OCc4ccc(OC(F)(F)F)cc4)c1C;Cc1c(cccc1N=C(C)O)N=C2NC(=NC=N2)N3CCC(CC3)OCc4ccc(cc4)OC(F)(F)F","InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)","","2022-05-03","2022-11-25","(1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid","2022-11-30"],["XL4","(2R)-2-(1H-indol-3-yl)propan-1-amine","C11 H14 N2","CC(CN)c1cnc2ccccc12;C[CH](CN)c1c[nH]c2ccccc12;CC(CN)c1c[nH]c2c1cccc2","InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m0/s1","","2020-12-18","2022-12-09","(2R)-2-(1H-indol-3-yl)propan-1-amine","2022-12-14"],["A1ALR","7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione","C22 H25 N7 O2 S","Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCNS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(C)c3)c4ccc5CCN[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)NCC2)Nc3c4cc([nH]c4ncn3)c5cnn(c5)C","InChI=1S/C22H25N7O2S/c1-13(2)20(15-5-4-14-6-7-26-32(30,31)19(14)8-15)28-22-17-9-18(16-10-25-29(3)11-16)27-21(17)23-12-24-22/h4-5,8-13,20,26H,6-7H2,1-3H3,(H2,23,24,27,28)/t20-/m0/s1","","2024-04-09","2024-05-10","7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione","2024-05-15"],["XL5","N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide","C22 H21 Cl2 F N4 O4","c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC;CCC(=O)Nc1cccc(F)c1Nc2ncc(OCc3c(Cl)c(OC)cc(OC)c3Cl)cn2;CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F","InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29)","","2017-11-05","2024-09-27","N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide","2019-07-10"],["ZS2","(4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","C30 H24 F N7 O3","CC1=C([CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCc3nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5;CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6","InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)/t27-/m0/s1","","2016-01-11","2016-05-06","(4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","2016-05-11"],["A1JJA","8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one","C25 H35 N7 O","CNc1cc(ncn1)N2CC3(CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4)C2;CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CN(C4)c5cc(ncn5)NC)C","InChI=1S/C25H35N7O/c1-24(2)8-10-30(11-9-24)13-19-4-6-20(7-5-19)31-14-23(33)29-25(15-31)16-32(17-25)22-12-21(26-3)27-18-28-22/h4-7,12,18H,8-11,13-17H2,1-3H3,(H,29,33)(H,26,27,28)","","2025-06-30","2026-03-13","8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one","2026-03-18"],["G4J","[(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone","C18 H21 F2 N7 O","N(c1nc(ccn1)N2CC3N(C(C2)CC3)C(C4C(F)(C4)F)=O)c5cnn(C)c5;Cn1cc(Nc2nccc(n2)N3C[CH]4CC[CH](C3)N4C(=O)[CH]5CC5(F)F)cn1;Cn1cc(cn1)Nc2nccc(n2)N3CC4CCC(C3)N4C(=O)C5CC5(F)F","InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1","","2018-05-04","2018-08-24","[(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone","2018-08-29"],["A1B8Q","N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide","C15 H12 F N5 O","O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]nnc12;Fc1cc2[nH]nnc2c(c1)C(=O)Nc3ccc4CNCc4c3;c1cc2c(cc1NC(=O)c3cc(cc4c3nn[nH]4)F)CNC2","InChI=1S/C15H12FN5O/c16-10-4-12(14-13(5-10)19-21-20-14)15(22)18-11-2-1-8-6-17-7-9(8)3-11/h1-5,17H,6-7H2,(H,18,22)(H,19,20,21)","","2025-04-11","2025-04-18","N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide","2025-04-23"],["A1EGB","5-chloranyl-2~{H}-indazole","C7 H5 Cl N2","Clc1ccc2n[nH]cc2c1;c1cc2c(cc1Cl)c[nH]n2","InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)","","2024-11-22","2025-04-11","5-chloranyl-2~{H}-indazole","2025-04-16"],["G4K","Borussertib","C36 H34 N6 O3","CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1;CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7","InChI=1S/C36H34N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h3-14,17,20-21,27H,2,15-16,18-19,22H2,1H3,(H,37,44)(H,38,43)(H,40,45)","","2018-08-28","2024-09-27","~{N}-[2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1~{H}-benzimidazol-5-yl]propanamide","2019-03-20"],["A1B8R","N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide","C17 H13 F3 N4 O","FC(F)(F)c1nc2cccc(c2[NH]1)C(=O)Nc1ccc2CNCc2c1;FC(F)(F)c1[nH]c2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1;c1cc(c2c(c1)nc([nH]2)C(F)(F)F)C(=O)Nc3ccc4c(c3)CNC4","InChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13-3-1-2-12(14(13)24-16)15(25)22-11-5-4-9-7-21-8-10(9)6-11/h1-6,21H,7-8H2,(H,22,25)(H,23,24)","","2025-04-11","2025-04-18","N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide","2025-04-23"],["XL6","N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide","C23 H24 Cl2 N4 O4","c1(OC)c(Cl)c(c(c(c1)OC)Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cccc3C;CCC(=O)Nc1cccc(C)c1Nc2ncc(OCc3c(Cl)c(OC)cc(OC)c3Cl)cn2;CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C","InChI=1S/C23H24Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h6-11H,5,12H2,1-4H3,(H,28,30)(H,26,27,29)","","2017-10-28","2024-09-27","N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide","2019-07-10"],["ZS3","(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C21 H18 F2 N8 O2","Fc1cccnc1N1C=CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1=O;CNc1cc(NC2=CC=CN(C2=O)c3ncccc3F)nc4n1ncc4C(=O)N[CH]5C[CH]5F;CNc1cc(nc2n1ncc2C(=O)NC3CC3F)NC4=CC=CN(C4=O)c5c(cccn5)F","InChI=1S/C21H18F2N8O2/c1-24-17-9-16(29-18-11(10-26-31(17)18)20(32)28-15-8-13(15)23)27-14-5-3-7-30(21(14)33)19-12(22)4-2-6-25-19/h2-7,9-10,13,15,24H,8H2,1H3,(H,27,29)(H,28,32)/t13-,15+/m0/s1","","2023-03-28","2023-07-21","(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2023-07-26"],["A1EGF","forazoline C","C26 H36 N2 O5 S3","CC=C(C)[CH]1CC=CC=C(C)CC[CH](O)[C](C)(O)C(=S)C=C2N[C](C)([CH](O)S2)C3=N[CH](CS3)C(=O)O1;CC=C(C)C1CC=CC=C(CCC(C(C(=S)C=C2NC(C(S2)O)(C3=NC(CS3)C(=O)O1)C)(C)O)O)C","InChI=1S/C26H36N2O5S3/c1-6-16(3)18-10-8-7-9-15(2)11-12-19(29)26(5,32)20(34)13-21-28-25(4,24(31)36-21)23-27-17(14-35-23)22(30)33-18/h6-9,13,17-19,24,28-29,31-32H,10-12,14H2,1-5H3/b8-7+,15-9+,16-6+,21-13+/t17-,18+,19+,24-,25-,26+/m0/s1","","2024-11-25","2025-05-16","(1~{S},5~{R},8~{R},12~{E},16~{R},17~{R},19~{E},22~{S})-8-[(~{E})-but-2-en-2-yl]-1,13,17-trimethyl-16,17,22-tris(oxidanyl)-18-sulfanylidene-7-oxa-3,21-dithia-23,24-diazatricyclo[18.2.1.1^{2,5}]tetracosa-2(24),10,12,19-tetraen-6-one","2025-05-21"],["A1ALU","3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide","C27 H33 F N4 O4","COc1ccc(cc1)c1ccc(c(F)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N;COc1ccc(cc1)c2ccc(c(F)c2)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=N)NC(=O)c2ccc(cc2F)c3ccc(cc3)OC","InChI=1S/C27H33FN4O4/c1-16(2)12-24(27(35)31-20(15-29)13-19-10-11-30-25(19)33)32-26(34)22-9-6-18(14-23(22)28)17-4-7-21(36-3)8-5-17/h4-9,14-16,19-20,24,29H,10-13H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b29-15+/t19-,20?,24-/m0/s1","","2024-04-10","2025-04-11","3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide","2025-04-16"],["A1JJT","bis(oxidanyl)-oxidanylidene-(oxidanyl(oxidanylidene)vanadio)oxy-vanadium","H3 O6 V2","O[V](=O)O[V](O)(O)=O;O[V](=O)O[V](=O)(O)O","InChI=1S/3H2O.3O.2V/h3*1H2;;;;;/q;;;;;;+1;+2/p-3","[V(IV)O(acetylacetonate)2]","2025-07-09","2026-01-23","bis(oxidanyl)-oxidanylidene-(oxidanyl(oxidanylidene)vanadio)oxy-vanadium","2026-01-28"],["A1EGR","3-[[(6E)-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-(2-methoxyethoxy)pyridin-3-yl]-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-4-methyl-benzenecarbonitrile","C28 H25 Cl N8 O4","COCCOc1cncc(c1)N2C(=O)NC(=Nc3cc4cn(C)nc4cc3Cl)N(Cc5cc(ccc5C)C#N)C2=O;Cc1ccc(cc1CN2C(=Nc3cc4cn(nc4cc3Cl)C)NC(=O)N(C2=O)c5cc(cnc5)OCCOC)C#N","InChI=1S/C28H25ClN8O4/c1-17-4-5-18(12-30)8-19(17)16-36-26(32-25-9-20-15-35(2)34-24(20)11-23(25)29)33-27(38)37(28(36)39)21-10-22(14-31-13-21)41-7-6-40-3/h4-5,8-11,13-15H,6-7,16H2,1-3H3,(H,32,33,38)","","2024-12-02","2025-03-28","3-[[(6~{E})-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-(2-methoxyethoxy)pyridin-3-yl]-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-4-methyl-benzenecarbonitrile","2025-04-02"],["A1B9B","(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide","C20 H22 Cl N5 O","CCCNC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12;CCCNC(=O)[CH](Nc1ccc2CNCc2c1)c3cc(Cl)cc4[nH]ncc34;CCCNC(=O)C(c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)CNC4","InChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1","","2025-04-11","2025-04-18","(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide","2025-04-23"],["ZS4","2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole","C19 H21 F2 N7 O2","FC(F)c2nc1ccccc1n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5;FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5;c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F","InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2","","2009-11-09","2011-06-04","2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole",""],["XL7","N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide","C22 H20 Cl3 F N4 O4","c1(cc(c(c(c1Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cc(cc3Cl)F)Cl)OC)OC;CCC(=O)Nc1cc(F)cc(Cl)c1Nc2ncc(OCc3c(Cl)c(OC)cc(OC)c3Cl)cn2;CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F","InChI=1S/C22H20Cl3FN4O4/c1-4-18(31)29-15-6-11(26)5-14(23)21(15)30-22-27-8-12(9-28-22)34-10-13-19(24)16(32-2)7-17(33-3)20(13)25/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)","","2017-11-05","2024-09-27","N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide","2019-07-10"],["A1JKB","Hexavanadate (V6-N3) polyoxometalate","C12 H20 N8 O21 V6","N=[N+]=NCC(=O)NC12C[O+]3[V]45(=O)O[V]678(=O)O[V]39%10(=O)O[V]%11%12%13(=O)O[V]%14(=O)(O[V]%15(=O)(O4)([O+]6CC(C[O+]7%11)(C[O+]%12%15)NC(=O)CN=[N+]=N)[O+]89%13%14)([O+]5C1)[O+]%10C2;C1C2(C[O+]3[V]456(=O)[O+]1[V]789(=O)[O+]414%10[V]33(=O)([O+]7C2)O[V]11(=O)(O5)[O+]2[V]4(=O)(O6)(O8)[O+]4[V]%10(=O)(O9)(O3)[O+]1CC(C2)(C4)NC(=O)CN=[N+]=N)NC(=O)CN=[N+]=N","InChI=1S/2C6H9N4O4.13O.6V/c2*7-10-8-1-5(14)9-6(2-11,3-12)4-13;;;;;;;;;;;;;;;;;;;/h2*7H,1-4H2;;;;;;;;;;;;;;;;;;;/q2*+3;;;;;;;;;;;;;+1;;;;;;/p+2","","2025-07-16","2025-09-26","","2025-10-01"],["G4M","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate","C24 H36 N7 O19 P3","O=P(OC2OC(C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC5OC(n3c4N=C(N)NC(=O)c4nc3)C(O)C5O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1NCc5c(O)c(C)ncc5CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2C(OC(C(C2O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O","InChI=1S/C24H36N7O19P3/c1-8-15(32)11(10(3-26-8)5-45-51(38,39)40)4-27-13-9(2)47-23(19(36)17(13)34)49-53(43,44)50-52(41,42)46-6-12-16(33)18(35)22(48-12)31-7-28-14-20(31)29-24(25)30-21(14)37/h3,7,9,12-13,16-19,22-23,27,32-36H,4-6H2,1-2H3,(H,41,42)(H,43,44)(H2,38,39,40)(H3,25,29,30,37)/t9-,12-,13-,16-,17+,18-,19+,22-,23-/m1/s1","","2007-11-05","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["A1ALX","3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide","C27 H33 Cl N4 O4","COc1ccc(cc1)c1ccc(c(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N;COc1ccc(cc1)c2ccc(c(Cl)c2)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=N)NC(=O)c2ccc(cc2Cl)c3ccc(cc3)OC","InChI=1S/C27H33ClN4O4/c1-16(2)12-24(27(35)31-20(15-29)13-19-10-11-30-25(19)33)32-26(34)22-9-6-18(14-23(22)28)17-4-7-21(36-3)8-5-17/h4-9,14-16,19-20,24,29H,10-13H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b29-15+/t19-,20+,24-/m1/s1","","2024-04-10","2025-04-11","3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide","2025-04-16"],["ZS5","(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid","C13 H13 N O3 S","O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1;OC(=O)[CH]1CS[C]2(CCC(=O)N12)c3ccccc3;c1ccc(cc1)C23CCC(=O)N2C(CS3)C(=O)O","InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1","","2023-07-03","2024-03-01","(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid","2024-03-06"],["XL8","N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide","C22 H20 Cl4 N4 O4","c1(c(Cl)c(c(c(c1)OC)Cl)COc3cnc(Nc2c(cc(cc2NC(CC)=O)Cl)Cl)nc3)OC;CCC(=O)Nc1cc(Cl)cc(Cl)c1Nc2ncc(OCc3c(Cl)c(OC)cc(OC)c3Cl)cn2;CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl","InChI=1S/C22H20Cl4N4O4/c1-4-18(31)29-15-6-11(23)5-14(24)21(15)30-22-27-8-12(9-28-22)34-10-13-19(25)16(32-2)7-17(33-3)20(13)26/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)","","2017-11-05","2024-09-27","N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide","2019-07-10"],["A1B9F","N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide","C16 H13 F N4 O","O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]ncc12;Fc1cc2[nH]ncc2c(c1)C(=O)Nc3ccc4CNCc4c3;c1cc2c(cc1NC(=O)c3cc(cc4c3cn[nH]4)F)CNC2","InChI=1S/C16H13FN4O/c17-11-4-13(14-8-19-21-15(14)5-11)16(22)20-12-2-1-9-6-18-7-10(9)3-12/h1-5,8,18H,6-7H2,(H,19,21)(H,20,22)","","2025-04-11","2025-04-18","N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide","2025-04-23"],["A1EGS","4-[4-chloranyl-2-[[(6E)-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-(5-methylpyridin-3-yl)-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-5-fluoranyl-phenoxy]-2-fluoranyl-benzenecarbonitrile","C31 H20 Cl2 F2 N8 O3","Cn1cc2cc(N=C3NC(=O)N(C(=O)N3Cc4cc(Cl)c(F)cc4Oc5ccc(C#N)c(F)c5)c6cncc(C)c6)c(Cl)cc2n1;Cc1cc(cnc1)N2C(=O)NC(=Nc3cc4cn(nc4cc3Cl)C)N(C2=O)Cc5cc(c(cc5Oc6ccc(c(c6)F)C#N)F)Cl","InChI=1S/C31H20Cl2F2N8O3/c1-16-5-20(13-37-12-16)43-30(44)39-29(38-27-7-18-14-41(2)40-26(18)9-23(27)33)42(31(43)45)15-19-6-22(32)25(35)10-28(19)46-21-4-3-17(11-36)24(34)8-21/h3-10,12-14H,15H2,1-2H3,(H,38,39,44)","","2024-12-02","2025-03-28","4-[4-chloranyl-2-[[(6~{E})-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-(5-methylpyridin-3-yl)-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-5-fluoranyl-phenoxy]-2-fluoranyl-benzenecarbonitrile","2025-04-02"],["A1JKF","Hexavanadate (V6-Hex) polyoxometalate","C24 H38 N8 O21 V6","CCCCc1cn(CC(=O)NC23C[O+]4[V]567(=O)O[V]89%10(=O)O[V]4%11%12(=O)O[V]%13%14%15(=O)O[V]%16(=O)(O[V]%17(=O)(O5)([O+]8CC(C[O+]9%13)(C[O+]%14%17)NC(=O)Cn%18cc(CCCC)nn%18)[O++]6%10%11%15%16)([O+]7C2)[O+]%12C3)nn1;CCCCc1cn(nn1)CC(=O)NC23C[O+]4[V]567(=O)O[V]891(=O)[O+2]55%10%11[V]44(=O)(O8)O[V]558(=O)[O+]9CC9(C[O+]1[V]%10(=O)(O6)([O+]5C9)O[V]%11(=O)(O8)([O+]7C2)[O+]4C3)NC(=O)Cn1cc(nn1)CCCC","InChI=1S/2C12H19N4O4.13O.6V/c2*1-2-3-4-10-5-16(15-14-10)6-11(20)13-12(7-17,8-18)9-19;;;;;;;;;;;;;;;;;;;/h2*5H,2-4,6-9H2,1H3,(H,13,20);;;;;;;;;;;;;;;;;;;/q2*+3;;;;;;;;;;;;;+2;;;;;;","","2025-07-16","2025-09-26","","2025-10-01"],["G4N","~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide","C36 H35 N5 O3","CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6;CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6","InChI=1S/C36H35N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h3-15,18,21-22,28H,2,16-17,19-20,23H2,1H3,(H,37,44)(H,38,42)(H,39,43)","","2018-08-28","2024-09-27","~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide","2019-02-20"],["A1EGV","Astragalin","C21 H20 O11","OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O","InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1","Kaempferol 3-O-glucoside","2024-12-03","2025-06-20","3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","2025-06-25"],["ZS7","3-amino-1H-isoindol-1-one","C8 H6 N2 O","NC1=NC(=O)c2ccccc12;NC1=NC(=O)c2ccccc12;c1ccc2c(c1)C(=NC2=O)N","InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)","","2021-05-28","2021-08-27","3-amino-1H-isoindol-1-one","2021-09-01"],["A1B9P","N-[5-(3-{(5M)-5-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl}azetidine-1-carbonyl)thiophen-2-yl]-L-prolinamide","C23 H25 N5 O2 S2","O=C(Nc1ccc(s1)C(=O)N1CC(C1)c1ncc(s1)c1cccc(CN)c1)C1CCCN1;NCc1cccc(c1)c2sc(nc2)C3CN(C3)C(=O)c4sc(NC(=O)[CH]5CCCN5)cc4;c1cc(cc(c1)c2cnc(s2)C3CN(C3)C(=O)c4ccc(s4)NC(=O)C5CCCN5)CN","InChI=1S/C23H25N5O2S2/c24-10-14-3-1-4-15(9-14)19-11-26-22(32-19)16-12-28(13-16)23(30)18-6-7-20(31-18)27-21(29)17-5-2-8-25-17/h1,3-4,6-7,9,11,16-17,25H,2,5,8,10,12-13,24H2,(H,27,29)/t17-/m0/s1","","2025-04-11","2026-02-20","N-[5-(3-{(5M)-5-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl}azetidine-1-carbonyl)thiophen-2-yl]-L-prolinamide","2026-02-25"],["A1JKT","2-[[2-[methyl-[2-(4-phenylphenyl)ethyl]amino]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid","C29 H29 N3 O2 S","CN(CCc1ccc(cc1)c2ccccc2)c3scc(CN4CCc5ccc(cc5C4)C(O)=O)n3;CN(CCc1ccc(cc1)c2ccccc2)c3nc(cs3)CN4CCc5ccc(cc5C4)C(=O)O","InChI=1S/C29H29N3O2S/c1-31(15-13-21-7-9-23(10-8-21)22-5-3-2-4-6-22)29-30-27(20-35-29)19-32-16-14-24-11-12-25(28(33)34)17-26(24)18-32/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,34)","","2025-07-17","2025-12-19","2-[[2-[methyl-[2-(4-phenylphenyl)ethyl]amino]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid","2025-12-24"],["A1ALY","N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C11 H14 F2 N4","CC(C)C(Nc1ncnc2[NH]ccc21)C(F)F;CC(C)[CH](Nc1ncnc2[nH]ccc12)C(F)F;CC(C)C(C(F)F)Nc1c2cc[nH]c2ncn1","InChI=1S/C11H14F2N4/c1-6(2)8(9(12)13)17-11-7-3-4-14-10(7)15-5-16-11/h3-6,8-9H,1-2H3,(H2,14,15,16,17)/t8-/m1/s1","","2024-04-10","2024-05-10","N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2024-05-15"],["XL9","N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide","C24 H26 Cl2 N4 O4","c4(c(Cl)c(c1ccc3c(c1)cnc(NC2COCCC2NC(CC)=O)n3)c(c(c4)OC)Cl)OC;CCC(=O)N[CH]1CCOC[CH]1Nc2ncc3cc(ccc3n2)c4c(Cl)c(OC)cc(OC)c4Cl;CCC(=O)NC1CCOCC1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl","InChI=1S/C24H26Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h5-6,9-11,16-17H,4,7-8,12H2,1-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1","","2017-11-05","2024-09-27","N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide","2019-07-10"],["G4O","propan-2-amine","C3 H9 N","CC(C)N;CC(C)N","InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3","","2020-07-21","2021-09-10","propan-2-amine","2021-09-15"],["ZS8","(2S)-2-amino-2-methyldec-8-ynoic acid","C11 H19 N O2","NC(C(=O)O)(C)CCCCCC#CC;CC#CCCCCC[C](C)(N)C(O)=O;CC#CCCCCCC(C)(C(=O)O)N","InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1","","2016-04-06","2024-09-27","(2S)-2-amino-2-methyldec-8-ynoic acid","2016-10-19"],["XLB","3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid","C15 H12 B Cl O4","c2c(cc(C=Cc1c(cc(B(O)O)cc1)Cl)cc2)C(O)=O;OB(O)c1ccc(C=Cc2cccc(c2)C(O)=O)c(Cl)c1;B(c1ccc(c(c1)Cl)C=Cc2cccc(c2)C(=O)O)(O)O","InChI=1S/C15H12BClO4/c17-14-9-13(16(20)21)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,20-21H,(H,18,19)/b5-4+","","2016-12-07","2017-09-22","3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid","2017-09-27"],["A1EIY","(1R)-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol","C8 H5 Cl2 F3 O","O[CH](c1ccc(Cl)c(Cl)c1)C(F)(F)F;c1cc(c(cc1C(C(F)(F)F)O)Cl)Cl","InChI=1S/C8H5Cl2F3O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1","(R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethanol","2025-01-02","2025-01-24","(1~{R})-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol","2025-01-29"],["A1BAB","(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol","C17 H18 N4 O","OCC(Nc1ncnc2[NH]ccc21)C1CCc2ccccc21;OC[CH](Nc1ncnc2[nH]ccc12)[CH]3CCc4ccccc34;c1ccc2c(c1)CCC2C(CO)Nc3c4cc[nH]c4ncn3","InChI=1S/C17H18N4O/c22-9-15(13-6-5-11-3-1-2-4-12(11)13)21-17-14-7-8-18-16(14)19-10-20-17/h1-4,7-8,10,13,15,22H,5-6,9H2,(H2,18,19,20,21)/t13-,15+/m1/s1","","2024-09-24","2025-06-06","(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol","2025-06-11"],["A1JLF","13-ethoxy-5-thiophen-2-yl-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide","C14 H13 N2 O5 S V","CCOc1cccc2C=[N+](NC(=O)c3sccc3)[V](=O)(=O)Oc12;CCOc1cccc2c1O[V]3(=O)(=O)[N+](=C2)NC(=O3)c4cccs4","InChI=1S/C14H14N2O3S.2O.V/c1-2-19-11-6-3-5-10(13(11)17)9-15-16-14(18)12-7-4-8-20-12;;;/h3-9,17H,2H2,1H3,(H,16,18);;;/q;;;+2/p-1/b15-9+;;;","","2025-07-21","2026-03-27","13-ethoxy-5-thiophen-2-yl-2,4$l^{3}-dioxa-6-aza-7-azonia-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide","2026-04-01"],["G4P","GUANOSINE-5',3'-TETRAPHOSPHATE","C10 H17 N5 O17 P4","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","guanosine tetraphosphate;ppGpp","2002-05-16","2020-06-24","guanosine 3',5'-bis(trihydrogen diphosphate)",""],["A1EIZ","(1R)-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol","C8 H6 Cl F3 O","O[CH](c1ccccc1Cl)C(F)(F)F;c1ccc(c(c1)C(C(F)(F)F)O)Cl","InChI=1S/C8H6ClF3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1","(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethan-1-ol","2025-01-02","2025-01-24","(1~{R})-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol","2025-01-29"],["G4Q","~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide","C34 H33 N5 O2","CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6;CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6","InChI=1S/C34H33N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h3-17,22H,2,18-21,23H2,1H3,(H,35,41)(H,36,40)","","2018-08-28","2024-09-27","~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide","2019-02-20"],["XLC","3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE","C24 H23 Cl3 N4 O2 S","Clc1ccc(cc1)NC(=O)c2cc(Cl)ccc2NC(=O)c3scc(c3Cl)CN4CCN(C)CC4;CN1CCN(CC1)Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc4ccc(Cl)cc4)c2Cl;CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl","InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)","","2002-09-23","2011-06-04","3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide",""],["A1BBA","(1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","C14 H18 N3 O7 P","OP(=O)(O)OCC1OC(CC1O)c1cc(C)c2N=C(N)NC(=O)c2c1;Cc1cc(cc2C(=O)NC(=Nc12)N)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;Cc1cc(cc2c1N=C(NC2=O)N)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C14H18N3O7P/c1-6-2-7(3-8-12(6)16-14(15)17-13(8)19)10-4-9(18)11(24-10)5-23-25(20,21)22/h2-3,9-11,18H,4-5H2,1H3,(H2,20,21,22)(H3,15,16,17,19)/t9-,10+,11+/m0/s1","","2024-09-29","2024-11-01","(1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","2024-11-06"],["ZS9","dehydrocostus lactone, bound form","C15 H20 O2","C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C;C[CH]1[CH]2CCC(=C)[CH]3CCC(=C)[CH]3[CH]2OC1=O;CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O","InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1","","2023-07-03","2024-09-27","(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one","2024-07-03"],["A1JLN","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 3-azanyl-4-oxidanyl-benzoate","C17 H19 N6 O9 P","Nc1cc(ccc1O)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cc(c(cc1C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O","InChI=1S/C17H19N6O9P/c18-8-3-7(1-2-9(8)24)17(27)32-33(28,29)30-4-10-12(25)13(26)16(31-10)23-6-22-11-14(19)20-5-21-15(11)23/h1-3,5-6,10,12-13,16,24-26H,4,18H2,(H,28,29)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1","","2025-07-29","2026-03-13","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 3-azanyl-4-oxidanyl-benzoate","2026-03-18"],["A1AMB","3-(1H-1,2,3-triazol-1-yl)-L-alanine","C5 H8 N4 O2","NC(Cn1ccnn1)C(=O)O;N[CH](Cn1ccnn1)C(O)=O;c1cn(nn1)CC(C(=O)O)N","InChI=1S/C5H8N4O2/c6-4(5(10)11)3-9-2-1-7-8-9/h1-2,4H,3,6H2,(H,10,11)/t4-/m0/s1","","2024-04-11","2025-12-05","3-(1H-1,2,3-triazol-1-yl)-L-alanine","2025-12-10"],["ZSA","(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide","C9 H10 N6","N=C(N)NN=C1/N=C(N)c2ccccc21;NC(=N)NN=C1N=C(N)c2ccccc12;c1ccc2c(c1)C(=NC2=NNC(=N)N)N","InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15)","","2021-05-28","2021-08-27","(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide","2021-09-01"],["A1EJB","(S)-2,2'-(5,5,9,9-tetraoxido-2,12,17-trioxo-11-oxa-5,9-dithia-3,6,8-triaza-1(2,1)-pyrrolidina-7(1,4)-naphthalena-4(1,4),10(1,3)-dibenzenacycloheptadecaphane-6,8-diyl)diacetamide","C37 H38 N6 O10 S2","NC(=O)CN1c2ccc(N(CC(N)=O)[S](=O)(=O)c3cccc(OC(=O)CCCCC(=O)N4CCC[CH]4C(=O)Nc5ccc(cc5)[S]1(=O)=O)c3)c6ccccc26;c1ccc2c(c1)c3ccc2N(S(=O)(=O)c4cccc(c4)OC(=O)CCCCC(=O)N5CCCC5C(=O)Nc6ccc(cc6)S(=O)(=O)N3CC(=O)N)CC(=O)N","InChI=1S/C37H38N6O10S2/c38-33(44)22-42-30-18-19-31(29-10-2-1-9-28(29)30)43(23-34(39)45)55(51,52)27-8-5-7-25(21-27)53-36(47)13-4-3-12-35(46)41-20-6-11-32(41)37(48)40-24-14-16-26(17-15-24)54(42,49)50/h1-2,5,7-10,14-19,21,32H,3-4,6,11-13,20,22-23H2,(H2,38,44)(H2,39,45)(H,40,48)/t32-/m0/s1","","2025-01-13","2025-12-26","","2025-12-31"],["A1JLU","2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one","C26 H28 N6 O","CN(C)CCN(C)c1ccc(Nc2ncc3C(=CC(=O)N(c4ccccc4)c3n2)C=C)cc1;CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3C=C)c4ccccc4","InChI=1S/C26H28N6O/c1-5-19-17-24(33)32(22-9-7-6-8-10-22)25-23(19)18-27-26(29-25)28-20-11-13-21(14-12-20)31(4)16-15-30(2)3/h5-14,17-18H,1,15-16H2,2-4H3,(H,27,28,29)","","2025-07-29","2026-01-09","2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one","2026-01-14"],["G4R","N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide","C27 H40 N6 O3","CC(C)N1CCC(Nc2nc(NC(=O)C=C)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1;COc1cc2c(NC3CCN(CC3)C(C)C)nc(NC(=O)C=C)nc2cc1OCCCN4CCCC4;CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NC(=O)C=C)OCCCN4CCCC4)OC","InChI=1S/C27H40N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h5,17-20H,1,6-16H2,2-4H3,(H2,28,29,30,31,34)","","2021-12-16","2022-07-01","N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide","2022-07-06"],["A1BBE","{(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}methyl dihydrogen phosphate","C12 H18 N5 O5 P","O=P(O)(O)OCC1CN(Cc2c[NH]c3c2ncnc3N)CC1O;Nc1ncnc2c(CN3C[CH](O)[CH](CO[P](O)(O)=O)C3)c[nH]c12;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)COP(=O)(O)O","InChI=1S/C12H18N5O5P/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(9(18)4-17)5-22-23(19,20)21/h1,6,8-9,14,18H,2-5H2,(H2,13,15,16)(H2,19,20,21)/t8-,9+/m1/s1","","2024-09-29","2025-01-31","{(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}methyl dihydrogen phosphate","2025-02-05"],["XLD","3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE","C23 H20 Cl3 N5 O4 S","Clc1c(scc1CN(C2=NCCO2)C)C(=O)Nc4c(C(=O)Nc3ncc(Cl)cc3)cc(Cl)cc4OC;COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c3scc(CN(C)C4=NCCO4)c3Cl;CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4","InChI=1S/C23H20Cl3N5O4S/c1-31(23-27-5-6-35-23)10-12-11-36-20(18(12)26)22(33)30-19-15(7-14(25)8-16(19)34-2)21(32)29-17-4-3-13(24)9-28-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,30,33)(H,28,29,32)","","2002-09-24","2011-06-04","3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]methyl}thiophene-2-carboxamide",""],["A1EJE","[[(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C15 H22 N5 O16 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5O[P](O)(=O)O[CH]5[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)OP(=O)(O5)O)O)O)O)N","InChI=1S/C15H22N5O16P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-37(24,25)36-38(26,27)31-2-6-9(22)11-15(33-6)35-39(28,29)34-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2025-01-14","2025-11-07","[[(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2025-11-12"],["ZSB","(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C23 H24 N8 O3","COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC;CNc1cc(NC2=CC=CN(C2=O)c3ccccn3)nc4n1ncc4C(=O)N[CH]5CC[CH]5OC;CNc1cc(nc2n1ncc2C(=O)NC3CCC3OC)NC4=CC=CN(C4=O)c5ccccn5","InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1","TAK-279","2023-03-28","2023-07-21","(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2023-07-26"],["G4S","4-O-sulfo-beta-D-galactopyranose","C6 H12 O9 S","O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1","4-O-sulfo-beta-D-galactose; 4-O-sulfo-D-galactose; 4-O-sulfo-galactose","1999-07-08","2020-07-17","4-O-sulfo-beta-D-galactopyranose",""],["A1JMB","[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [oxidanyl-[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate","C83 H142 N2 O52 P2","C[CH](CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)[CH]4O)[CH](O)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)[CH]3O)[CH](O)[CH]2NC(C)=O)[CH](O)[CH]1NC(C)=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C","InChI=1S/C83H142N2O52P2/c1-32(2)13-9-14-33(3)15-10-16-34(4)17-11-18-35(5)19-12-20-36(6)21-22-120-138(114,115)137-139(116,117)136-76-49(85-38(8)94)58(103)69(45(29-92)127-76)130-75-48(84-37(7)93)57(102)70(44(28-91)126-75)131-81-68(113)72(133-83-74(63(108)54(99)43(27-90)125-83)135-80-66(111)61(106)52(97)41(25-88)123-80)56(101)47(129-81)31-119-78-67(112)71(55(100)46(128-78)30-118-77-64(109)59(104)50(95)39(23-86)121-77)132-82-73(62(107)53(98)42(26-89)124-82)134-79-65(110)60(105)51(96)40(24-87)122-79/h13,15,17,19,36,39-83,86-92,95-113H,9-12,14,16,18,20-31H2,1-8H3,(H,84,93)(H,85,94)(H,114,115)(H,116,117)/b33-15+,34-17+,35-19-/t36-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,75-,76+,77-,78-,79+,80+,81-,82+,83+/m0/s1","","2025-08-05","2026-03-13","[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [oxidanyl-[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate","2026-03-18"],["XLE","4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}benzene-1-sulfonamide","C25 H29 F3 N6 O3 S","NS(=O)(=O)c1ccc(cc1)CC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCC(CC3)Cc4ccc(cc4)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)Cc4ccc(cc4)S(=O)(=O)N)C(F)(F)F","InChI=1S/C25H29F3N6O3S/c1-17-30-32-34(31-17)16-21-15-22(25(26,27)28)6-4-20(21)5-9-24(35)33-12-10-19(11-13-33)14-18-2-7-23(8-3-18)38(29,36)37/h2-4,6-8,15,19H,5,9-14,16H2,1H3,(H2,29,36,37)","","2023-06-07","2024-12-13","4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}benzene-1-sulfonamide","2024-12-18"],["A1BBQ","4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol","C13 H18 N4 O2","OC1(CN(C)c2ncnc3[NH]ccc32)CCOCC1;CN(CC1(O)CCOCC1)c2ncnc3[nH]ccc23;CN(CC1(CCOCC1)O)c2c3cc[nH]c3ncn2","InChI=1S/C13H18N4O2/c1-17(8-13(18)3-6-19-7-4-13)12-10-2-5-14-11(10)15-9-16-12/h2,5,9,18H,3-4,6-8H2,1H3,(H,14,15,16)","","2024-10-01","2025-06-06","4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol","2025-06-11"],["G4T","~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide","C36 H35 Cl N6 O3","CCC(=O)Nc1cc(NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6)ccc1Cl;CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6","InChI=1S/C36H35ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h3-14,17,20-21,26H,2,15-16,18-19,22H2,1H3,(H,38,45)(H,41,44)(H2,39,40,46)","","2018-08-28","2024-09-27","~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide","2019-02-20"],["A1EJR","(2S)-2-azanyl-6-[6-[[(2R)-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1H-indazol-2-yl]hexanoic acid","C36 H38 Br N5 O8","CNC(=O)C[CH](Cc1ccc(cc1)C#Cc2cc(C)cc(Br)c2OCC(O)=O)NC(=O)c3ccc4c(NN(CCCC[CH](N)C(O)=O)C4=O)c3;Cc1cc(c(c(c1)Br)OCC(=O)O)C#Cc2ccc(cc2)CC(CC(=O)NC)NC(=O)c3ccc4c(c3)NN(C4=O)CCCCC(C(=O)O)N","InChI=1S/C36H38BrN5O8/c1-21-15-24(33(28(37)16-21)50-20-32(44)45)11-10-22-6-8-23(9-7-22)17-26(19-31(43)39-2)40-34(46)25-12-13-27-30(18-25)41-42(35(27)47)14-4-3-5-29(38)36(48)49/h6-9,12-13,15-16,18,26,29,41H,3-5,14,17,19-20,38H2,1-2H3,(H,39,43)(H,40,46)(H,44,45)(H,48,49)/t26-,29+/m1/s1","","2025-01-17","2025-05-09","(2~{S})-2-azanyl-6-[6-[[(2~{R})-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1~{H}-indazol-2-yl]hexanoic acid","2025-05-14"],["A1BBR","[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","C14 H20 N4 O","OCC1CC(C)(C)CCN1c1ncnc2[NH]ccc12;CC1(C)CCN([CH](CO)C1)c2ncnc3[nH]ccc23;CC1(CCN(C(C1)CO)c2c3cc[nH]c3ncn2)C","InChI=1S/C14H20N4O/c1-14(2)4-6-18(10(7-14)8-19)13-11-3-5-15-12(11)16-9-17-13/h3,5,9-10,19H,4,6-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1","","2024-10-01","2025-06-06","[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","2025-06-11"],["XLF","beta-D-xylulofuranose","C5 H10 O5","OCC1(O)OCC(O)C1O;OC[C]1(O)OC[CH](O)[CH]1O;C1C(C(C(O1)(CO)O)O)O","InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5-/m1/s1","beta-D-xylulose; D-xylulose; xylulose","2008-04-18","2020-07-17","beta-D-xylulofuranose",""],["A1JMO","2-[3-[(4-dimethylphosphorylphenyl)amino]prop-1-ynyl]-~{N}-(1-methylpiperidin-4-yl)-1-[2,2,2-tris(fluoranyl)ethyl]indol-4-amine","C27 H32 F3 N4 O P","CN1CCC(CC1)Nc2cccc3n(CC(F)(F)F)c(cc23)C#CCNc4ccc(cc4)[P](C)(C)=O;CN1CCC(CC1)Nc2cccc3c2cc(n3CC(F)(F)F)C#CCNc4ccc(cc4)P(=O)(C)C","InChI=1S/C27H32F3N4OP/c1-33-16-13-21(14-17-33)32-25-7-4-8-26-24(25)18-22(34(26)19-27(28,29)30)6-5-15-31-20-9-11-23(12-10-20)36(2,3)35/h4,7-12,18,21,31-32H,13-17,19H2,1-3H3","","2025-08-06","2026-03-06","2-[3-[(4-dimethylphosphorylphenyl)amino]prop-1-ynyl]-~{N}-(1-methylpiperidin-4-yl)-1-[2,2,2-tris(fluoranyl)ethyl]indol-4-amine","2026-03-11"],["ZSC","5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid","C10 H11 N O6 S","O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C;CN(c1cc(cc(c1)C(O)=O)C(O)=O)[S](C)(=O)=O;CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C","InChI=1S/C10H11NO6S/c1-11(18(2,16)17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)","","2011-12-08","2024-09-27","5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid","2012-11-16"],["A1EKA","6-chloranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine","C17 H16 Cl N3 O2 S","Clc1ccc2C(=N[S](=O)(=O)c2c1)Nc3ccccc3N4CCCC4;c1ccc(c(c1)NC2=NS(=O)(=O)c3c2ccc(c3)Cl)N4CCCC4","InChI=1S/C17H16ClN3O2S/c18-12-7-8-13-16(11-12)24(22,23)20-17(13)19-14-5-1-2-6-15(14)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,19,20)","","2025-01-19","2025-10-10","6-chloranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine","2025-10-15"],["ZSD","6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine","C18 H24 N8 O","CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1;CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)onc4C;Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N","InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21)","","2021-05-28","2021-08-27","6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine","2021-09-01"],["A1JMR","4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide","C28 H31 F4 N5 O2","CNC(=O)c1ccc(NCC#Cc2cc3c(N[CH]4CCN(C)C[CH]4F)cccc3n2CC(F)(F)F)c(OC)c1;CNC(=O)c1ccc(c(c1)OC)NCC#Cc2cc3c(cccc3n2CC(F)(F)F)NC4CCN(CC4F)C","InChI=1S/C28H31F4N5O2/c1-33-27(38)18-9-10-24(26(14-18)39-3)34-12-5-6-19-15-20-22(35-23-11-13-36(2)16-21(23)29)7-4-8-25(20)37(19)17-28(30,31)32/h4,7-10,14-15,21,23,34-35H,11-13,16-17H2,1-3H3,(H,33,38)/t21-,23+/m0/s1","","2025-08-06","2026-03-06","4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide","2026-03-11"],["A1AMR","2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide","C24 H27 N7 O3 S","NC(=O)Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(CC(N)=O)c3)c4ccc5CCC[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)N","InChI=1S/C24H27N7O3S/c1-14(2)22(16-6-5-15-4-3-7-35(33,34)20(15)8-16)30-24-18-9-19(29-23(18)26-13-27-24)17-10-28-31(11-17)12-21(25)32/h5-6,8-11,13-14,22H,3-4,7,12H2,1-2H3,(H2,25,32)(H2,26,27,29,30)","","2024-04-15","2024-05-10","2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide","2024-05-15"],["A1BBY","(2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol","C10 H14 N4 O","CC(O)C(C)Nc1ncnc2[NH]ccc21;C[CH](O)[CH](C)Nc1ncnc2[nH]ccc12;CC(C(C)O)Nc1c2cc[nH]c2ncn1","InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1","","2024-10-01","2025-06-06","(2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol","2025-06-11"],["XLI","N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide","C27 H52 N4 O5 S","O=C(NC(C(=O)NC(CC(C)C)C(O)CC(C(=O)NCCCC)C)CCSC)C(NC(=O)C)CC(C)C;CCCCNC(=O)[CH](C)C[CH](O)[CH](CC(C)C)NC(=O)[CH](CCSC)NC(=O)[CH](CC(C)C)NC(C)=O;CCCCNC(=O)C(C)CC(C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C)O","InChI=1S/C27H52N4O5S/c1-9-10-12-28-25(34)19(6)16-24(33)22(14-17(2)3)31-26(35)21(11-13-37-8)30-27(36)23(15-18(4)5)29-20(7)32/h17-19,21-24,33H,9-16H2,1-8H3,(H,28,34)(H,29,32)(H,30,36)(H,31,35)/t19-,21+,22+,23+,24+/m1/s1","","2010-01-04","2011-06-04","N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide",""],["G4U","tetradecanethial","C14 H28 S","CCCCCCCCCCCCCC=S;CCCCCCCCCCCCCC=S","InChI=1S/C14H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3","","2020-07-22","2021-02-19","tetradecanethial","2021-02-24"],["XLJ","(2S)-2-(1H-indol-3-yl)propan-1-amine","C11 H14 N2","CC(c1cnc2ccccc12)CN;C[CH](CN)c1c[nH]c2ccccc12;CC(CN)c1c[nH]c2c1cccc2","InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1","","2020-12-18","2022-12-09","(2S)-2-(1H-indol-3-yl)propan-1-amine","2022-12-14"],["ZSF","adenosine 5'-heptaphosphate","C10 H20 N5 O25 P7","O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H20N5O25P7/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(34-10)1-33-42(21,22)36-44(25,26)38-46(29,30)40-47(31,32)39-45(27,28)37-43(23,24)35-41(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","2023-03-28","2024-03-29","5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine","2024-04-03"],["A1EKU","~{N}-[(1~{S},2~{S})-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide","C17 H13 Cl2 F3 N2 O","FC(F)(F)c1ncccc1C(=O)N[CH]2CC[CH]2c3ccc(Cl)cc3Cl;c1cc(c(nc1)C(F)(F)F)C(=O)NC2CCC2c3ccc(cc3Cl)Cl","InChI=1S/C17H13Cl2F3N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25)/t11-,14-/m0/s1","Cyclobutrifluram, (S)-","2025-01-26","2026-01-16","~{N}-[(1~{S},2~{S})-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide","2026-01-21"],["G4V","(Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine","C18 H17 F2 N5 O2","n1cc(c4c1ncnc4c3cc2N(/C=N)CC(F)(F)Oc2cc3)CCOC;COCCc1c[nH]c2ncnc(c3ccc4OC(F)(F)CN(C=N)c4c3)c12;COCCc1c[nH]c2c1c(ncn2)c3ccc4c(c3)N(CC(O4)(F)F)C=N","InChI=1S/C18H17F2N5O2/c1-26-5-4-12-7-22-17-15(12)16(23-10-24-17)11-2-3-14-13(6-11)25(9-21)8-18(19,20)27-14/h2-3,6-7,9-10,21H,4-5,8H2,1H3,(H,22,23,24)/b21-9-","","2018-05-04","2024-09-27","(Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine","2018-11-28"],["A1JQV","7-[2,3,5,6-tetrakis(fluoranyl)phenyl]sulfonyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine","C12 H7 F7 N4 O2 S","Fc1cc(F)c(F)c(c1F)[S](=O)(=O)N2CCn3c(C2)nnc3C(F)(F)F;c1c(c(c(c(c1F)F)S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2)F)F","InChI=1S/C12H7F7N4O2S/c13-5-3-6(14)9(16)10(8(5)15)26(24,25)22-1-2-23-7(4-22)20-21-11(23)12(17,18)19/h3H,1-2,4H2","","2025-09-30","2026-03-13","7-[2,3,5,6-tetrakis(fluoranyl)phenyl]sulfonyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine","2026-03-18"],["A1BDB","(3S)-piperidine-3-carboxylic acid","C6 H11 N O2","O=C(O)C1CCCNC1;OC(=O)[CH]1CCCNC1;C1CC(CNC1)C(=O)O","InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1","","2024-10-14","2024-11-22","(3S)-piperidine-3-carboxylic acid","2024-11-27"],["A1ELA","(2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)-~{N}-[(2-methoxyphenyl)methyl]propan-2-amine","C19 H24 I N O3","COc1ccccc1CN[CH](C)Cc2cc(OC)c(I)cc2OC;CC(Cc1cc(c(cc1OC)I)OC)NCc2ccccc2OC","InChI=1S/C19H24INO3/c1-13(21-12-14-7-5-6-8-17(14)22-2)9-15-10-19(24-4)16(20)11-18(15)23-3/h5-8,10-11,13,21H,9,12H2,1-4H3/t13-/m1/s1","","2025-02-05","2026-01-09","(2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)-~{N}-[(2-methoxyphenyl)methyl]propan-2-amine","2026-01-14"],["XLK","(5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)","C25 H41 F O3","FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C;C[CH](CCC(=O)CF)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)CF)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","InChI=1S/C25H41FO3/c1-15(4-6-18(28)14-26)20-8-9-21-19-7-5-16-12-17(27)10-11-24(16,2)22(19)13-23(29)25(20,21)3/h15-17,19-23,27,29H,4-14H2,1-3H3/t15-,16-,17-,19+,20-,21+,22+,23+,24+,25-/m1/s1","","2022-11-29","2024-09-27","(5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)","2023-12-13"],["A1L09","~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","C28 H40 N4 O3","CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccc(CN(C)C)cc3;CCCCC(C(=O)NCc1ccc(cc1)CN(C)C)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C","InChI=1S/C28H40N4O3/c1-7-8-9-21(26(34)29-16-19-10-12-20(13-11-19)17-32(5)6)31-27(35)25-18(2)24-22(30-25)14-28(3,4)15-23(24)33/h10-13,21,30H,7-9,14-17H2,1-6H3,(H,29,34)(H,31,35)/t21-/m0/s1","","2024-04-24","2025-01-17","~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","2025-01-22"],["G4W","6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile","C20 H20 F2 N6 O","Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N;c1c(cc(cc1F)F)C2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N","InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1","GSK547","2018-08-28","2021-03-01","6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile","2018-12-12"],["A1BDF","(5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine","C9 H11 N3","c1nc2CC3CCC(N3)c2cn1;C1C[CH]2N[CH]1Cc3ncncc23;c1c2c(ncn1)CC3CCC2N3","InChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2","","2024-10-15","2024-10-25","(5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine","2024-10-30"],["ZSG","(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide","C15 H22 N8 O","CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1;CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3;CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N","InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)","","2021-05-28","2021-08-27","(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide","2021-09-01"],["A1AMY","N-[(2-fluorophenyl)methyl]oxan-4-amine","C12 H16 F N O","Fc1ccccc1CNC1CCOCC1;Fc1ccccc1CNC2CCOCC2;c1ccc(c(c1)CNC2CCOCC2)F","InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2","","2024-04-15","2024-04-19","N-[(2-fluorophenyl)methyl]oxan-4-amine","2024-04-24"],["A1ELB","4-[[7-azanyl-6-bromanyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-~{N}-oxidanyl-butanamide","C14 H17 Br N8 O2","Cn1cc(cn1)c2cnn3c(N)c(Br)c(NCCCC(=O)NO)nc23;Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)NO","InChI=1S/C14H17BrN8O2/c1-22-7-8(5-18-22)9-6-19-23-12(16)11(15)13(20-14(9)23)17-4-2-3-10(24)21-25/h5-7,25H,2-4,16H2,1H3,(H,17,20)(H,21,24)","","2025-02-06","2026-03-06","4-[[7-azanyl-6-bromanyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-~{N}-oxidanyl-butanamide","2026-03-11"],["G4X","hexadecanethial","C16 H32 S","CCCCCCCCCCCCCCCC=S;CCCCCCCCCCCCCCCC=S","InChI=1S/C16H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3","","2020-07-22","2021-02-19","hexadecanethial","2021-02-24"],["A1L0E","(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol","C40 H58 O2","CC(CC[CH]1C(=C[CH](O)CC1(C)C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC2C(=CC(CC2(C)C)O)C)C)C","InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,26,35-36,38,41-42H,22,24-25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,38+/m1/s1","7',8'-dihydrolutein","2024-04-09","2025-12-26","(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol","2025-12-31"],["ZSI","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","C38 H46 N10 O17 P2","CNC(=O)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O)C123;CNC(=O)c1cccc(c1)[CH]2C[CH](O)N3c4cc(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)C8=NC(=O)NC(=O)[C]238;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8)C(=O)NC)O","InChI=1S/C38H46N10O17P2/c1-16-7-21-22(8-17(16)2)48-26(51)10-20(18-5-4-6-19(9-18)33(55)40-3)38(48)35(44-37(57)45-36(38)56)46(21)11-23(49)28(52)24(50)12-62-66(58,59)65-67(60,61)63-13-25-29(53)30(54)34(64-25)47-15-43-27-31(39)41-14-42-32(27)47/h4-9,14-15,20,23-26,28-30,34,49-54H,10-13H2,1-3H3,(H,40,55)(H,58,59)(H,60,61)(H2,39,41,42)(H,45,56,57)/t20-,23-,24+,25+,26+,28-,29+,30+,34+,38-/m0/s1","","2023-03-29","2025-01-31","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2025-02-05"],["A1BDR","N-{7-[(4-aminobutyl)amino]heptyl}-Nalpha-butanoyl-D-tyrosinamide","C24 H42 N4 O3","Oc1ccc(CC(NC(=O)CCC)C(=O)NCCCCCCCNCCCCN)cc1;CCCC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCN;CCCC(=O)NC(Cc1ccc(cc1)O)C(=O)NCCCCCCCNCCCCN","InChI=1S/C24H42N4O3/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30)/t22-/m1/s1","","2024-10-15","2024-12-06","N-{7-[(4-aminobutyl)amino]heptyl}-Nalpha-butanoyl-D-tyrosinamide","2024-12-11"],["XLL","4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile","C18 H17 Cl N4 O","CC(C)(C)c1cc(Cl)c(C#N)cc1OCc1n[NH]c2ncccc21;CC(C)(C)c1cc(Cl)c(cc1OCc2n[nH]c3ncccc23)C#N;CC(C)(C)c1cc(c(cc1OCc2c3cccnc3[nH]n2)C#N)Cl","InChI=1S/C18H17ClN4O/c1-18(2,3)13-8-14(19)11(9-20)7-16(13)24-10-15-12-5-4-6-21-17(12)23-22-15/h4-8H,10H2,1-3H3,(H,21,22,23)","","2023-06-07","2024-12-13","4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile","2024-12-18"],["A1ELE","3-methoxy-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide","C17 H16 N4 O4 S2","COc1cccc(c1)C(=O)Nc2sc(nn2)[S](=O)(=O)Nc3cccc(C)c3;Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC","InChI=1S/C17H16N4O4S2/c1-11-5-3-7-13(9-11)21-27(23,24)17-20-19-16(26-17)18-15(22)12-6-4-8-14(10-12)25-2/h3-10,21H,1-2H3,(H,18,19,22)","CHEMBL1436015","2025-02-07","2025-12-19","3-methoxy-~{N}-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide","2025-12-24"],["ZSJ","2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol","C10 H15 N O S","CSc1ccc(CNCCO)cc1;CSc1ccc(CNCCO)cc1;CSc1ccc(cc1)CNCCO","InChI=1S/C10H15NOS/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3","","2021-05-28","2021-08-27","2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol","2021-09-01"],["A1L0F","Mg-2,4-divinyl-phaeoporphyrin a5-monometyl ester","C35 H30 Mg N4 O5","COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C=C)C(=C7CCC(O)=O)C)C(=C4C=C)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C(=C(C7=C2)C)CCC(=O)O)C8=C9N6C(=C5)C(=C9C(=O)C8C(=O)OC)C)C=C)C","InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1","","2024-04-09","2025-12-26","","2025-12-31"],["XLN","N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide","C17 H33 N2 O8 P S","CCC[C@H]=[C@H]S(CCCNC(CCNC(C(C(COP(O)O)(C)C)O)=O)=O)(=O)=O;CCCC=C[S](=O)(=O)CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)COP(O)O;CCCC=CS(=O)(=O)CCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)O)O","InChI=1S/C17H33N2O8PS/c1-4-5-6-11-29(25,26)12-7-9-18-14(20)8-10-19-16(22)15(21)17(2,3)13-27-28(23)24/h6,11,15,21,23-24H,4-5,7-10,12-13H2,1-3H3,(H,18,20)(H,19,22)/b11-6-/t15-/m0/s1","","2018-11-16","2024-09-27","N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide","2019-03-13"],["A1AMZ","(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide","C6 H6 N4 O2 S","NS(=O)(=O)c1cnc2cccnn12;N[S](=O)(=O)c1cnc2cccnn12;c1cc2ncc(n2nc1)S(=O)(=O)N","InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12)","","2024-04-15","2024-04-19","(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide","2024-04-24"],["G4Y","N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide","C22 H19 N5","n3c1ncnc(c1c(c2ccccc2)c3)c4cc5c(cc4)CCC5NC=[N@H];N=CN[CH]1CCc2ccc(cc12)c3ncnc4[nH]cc(c5ccccc5)c34;c1ccc(cc1)c2c[nH]c3c2c(ncn3)c4ccc5c(c4)C(CC5)NC=N","InChI=1S/C22H19N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-13,19H,8-9H2,(H2,23,25)(H,24,26,27)/t19-/m0/s1","","2018-05-04","2024-09-27","N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide","2018-11-28"],["A1BDU","(1H-indol-5-yl)methanol","C9 H9 N O","OCc1cc2cc[NH]c2cc1;OCc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1CO","InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2","","2024-10-18","2024-11-22","(1H-indol-5-yl)methanol","2024-11-27"],["XLO","3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid","C15 H11 Cl O3","c2ccc(C=Cc1c(cc(cc1)O)Cl)cc2C(O)=O;Oc1ccc(C=Cc2cccc(c2)C(O)=O)c(Cl)c1;c1cc(cc(c1)C(=O)O)C=Cc2ccc(cc2Cl)O","InChI=1S/C15H11ClO3/c16-14-9-13(17)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,17H,(H,18,19)/b5-4+","","2016-12-07","2017-09-22","3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid","2017-09-27"],["A1L0Y","7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one","C34 H30 F N3 O4","CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)c4ccccc4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O;Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)c6ccccc6)C)C(C)(C)O)C)F","InChI=1S/C34H30FN3O4/c1-19-13-23(35)14-20(2)30(19)41-28-12-11-22(34(3,4)40)15-24(28)26-18-38(5)33(39)25-16-29(42-31(25)26)27-17-36-32(37-27)21-9-7-6-8-10-21/h6-18,40H,1-5H3,(H,36,37)","","2024-04-19","2024-12-06","7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-2-(2-phenyl-1~{H}-imidazol-5-yl)furo[3,2-c]pyridin-4-one","2024-12-11"],["ZSL","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)","C16 H23 N5 O13 P2 S","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC3C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5SCO[CH]5[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)SCO5)O)O)O)N","InChI=1S/C16H23N5O13P2S/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(32-15)1-30-35(25,26)34-36(27,28)31-2-7-10(23)12-16(33-7)37-5-29-12/h3-4,6-7,9-12,15-16,22-24H,1-2,5H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16-/m1/s1","","2023-03-29","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)","2023-04-05"],["A1ANA","4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide","C9 H14 N4 O","Nc1cn(C)nc1C(=O)NC1CCC1;Cn1cc(N)c(n1)C(=O)NC2CCC2;Cn1cc(c(n1)C(=O)NC2CCC2)N","InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)","","2024-04-15","2024-04-19","4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide","2024-04-24"],["A1ELU","methyl (1~{R},4~{a}~{S},6~{S},7~{R},7~{a}~{S})-7-methyl-1,6-bis(oxidanyl)-1,4~{a},5,6,7,7~{a}-hexahydrocyclopenta[c]pyran-4-carboxylate","C11 H16 O5","COC(=O)C1=CO[CH](O)[CH]2[CH](C)[CH](O)C[CH]12;CC1C(CC2C1C(OC=C2C(=O)OC)O)O","InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1","Loganetin","2025-02-08","2026-01-09","methyl (1~{R},4~{a}~{S},6~{S},7~{R},7~{a}~{S})-7-methyl-1,6-bis(oxidanyl)-1,4~{a},5,6,7,7~{a}-hexahydrocyclopenta[c]pyran-4-carboxylate","2026-01-14"],["A1BER","ethynyl-3-methylbenzene-cobalamin","C71 H96 Co N13 O14 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#Cc7cccc(C)c7)[N]8C(=C(C)C9=[N+]6C(=C5)[CH](CCC(N)=O)[C]9(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]28C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12;Cc1cccc(c1)C#C[Co]234N5C6=C(C7=[N+]2C(=CC8=[N+]3C(=C(C9=[N+]4C(C5(C(C6CCC(=O)N)(C)CC(=O)N)C)C(C9(C)CCC(=O)NCC(C)OP(=O)(O)OC1C(OC(C1O)n1cnc2c1cc(c(c2)C)C)CO)CC(=O)N)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C","InChI=1S/C62H90N13O14P.C9H7.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-3-9-6-4-5-8(2)7-9;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);4-7H,2H3;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},11~{S},13~{R},14~{S},15~{S},17~{S},18~{R},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-[2-(3-methylphenyl)ethynyl]-2,22,23,24-tetraza-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracos-6-en-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate","2024-11-01","2025-09-19","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-[2-(3-methylphenyl)ethynyl]-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate","2025-09-24"],["G4Z","(1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol","C13 H20 Cl N O2 S","CN(CCS)[CH](O)C(C)(C)Oc1ccc(Cl)cc1;CC(C)(C(N(C)CCS)O)Oc1ccc(cc1)Cl","InChI=1S/C13H20ClNO2S/c1-13(2,12(16)15(3)8-9-18)17-11-6-4-10(14)5-7-11/h4-7,12,16,18H,8-9H2,1-3H3/t12-/m1/s1","","2018-08-28","2024-09-27","(1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol","2019-02-27"],["ZSM","(1,4-phenylene)bis(methylene) dicarbamimidothioate","C10 H14 N4 S2","N=C(N)SCc1ccc(CSC(=N)N)cc1;NC(=N)SCc1ccc(CSC(N)=N)cc1;c1cc(ccc1CSC(=N)N)CSC(=N)N","InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)","","2021-05-28","2021-08-27","(1,4-phenylene)bis(methylene) dicarbamimidothioate","2021-09-01"],["A1EM8","1,3-thiazol-5-ylmethanamine","C4 H6 N2 S","NCc1scnc1;c1c(scn1)CN","InChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2","","2025-03-18","2026-03-13","1,3-thiazol-5-ylmethanamine","2026-03-18"],["XLP","1,3-benzothiazole-6-carboxylic acid","C8 H5 N O2 S","n1csc2cc(C(O)=O)ccc12;OC(=O)c1ccc2ncsc2c1;c1cc2c(cc1C(=O)O)scn2","InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)","","2020-12-18","2021-01-08","1,3-benzothiazole-6-carboxylic acid","2021-01-13"],["A1BEU","ethynyl-4,1'-biphenyl-cobalamin","C76 H98 Co N13 O14 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#Cc7ccc(cc7)c8ccccc8)[N]9C(=C(C)C%10=[N+]6C(=C5)[CH](CCC(N)=O)[C]%10(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12cnc%13cc(C)c(C)cc%12%13;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C(C1(C)C)CCC(=O)N)C)C#Cc1ccc(cc1)c1ccccc1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.C14H9.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);3-11H;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","[(2~{R},3~{S},4~{R},5~{S})-5-[5,6-di(methyl)benzimidazol-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-[2-(4-phenylphenyl)ethynyl]-2$l^{4},22,23$l^{4},24$l^{4}-tetraza-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl hydrogen phosphate","2024-11-01","2025-09-19","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-[2-(4-phenylphenyl)ethynyl]-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl hydrogen phosphate","2025-09-24"],["A1ANB","2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide","C11 H15 N O2","O=C(Nc1c(C)cc(C)cc1C)CO;Cc1cc(C)c(NC(=O)CO)c(C)c1;Cc1cc(c(c(c1)C)NC(=O)CO)C","InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14)","","2024-04-15","2024-04-19","2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide","2024-04-24"],["G50","3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE","C15 H14 O5","O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2;Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1;c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O","InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2","","2007-03-28","2011-06-04","3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",""],["A1L1B","(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide","C30 H29 F N4 O3","C[CH](O)C(=O)N(c1ccc(nc1)c2ccccc2)[C](C)(C(=O)N[CH](C)c3ccc(F)cc3)c4cccnc4;CC(c1ccc(cc1)F)NC(=O)C(C)(c2cccnc2)N(c3ccc(nc3)c4ccccc4)C(=O)C(C)O","InChI=1S/C30H29FN4O3/c1-20(22-11-13-25(31)14-12-22)34-29(38)30(3,24-10-7-17-32-18-24)35(28(37)21(2)36)26-15-16-27(33-19-26)23-8-5-4-6-9-23/h4-21,36H,1-3H3,(H,34,38)/t20-,21+,30+/m0/s1","","2024-04-26","2025-04-25","(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide","2025-04-30"],["A1BFE","(3S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","C25 H32 F3 N5 O4","FC(F)(F)C(=O)NC(C(=O)N1Cc2ccccc2CC1C(=O)NC(C=N)CC1CCNC1=O)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1Cc2ccccc2C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=N;CC(C)(C)C(C(=O)N1Cc2ccccc2CC1C(=O)NC(CC3CCNC3=O)C=N)NC(=O)C(F)(F)F","InChI=1S/C25H32F3N5O4/c1-24(2,3)19(32-23(37)25(26,27)28)22(36)33-13-16-7-5-4-6-14(16)11-18(33)21(35)31-17(12-29)10-15-8-9-30-20(15)34/h4-7,12,15,17-19,29H,8-11,13H2,1-3H3,(H,30,34)(H,31,35)(H,32,37)/t15-,17-,18-,19+/m0/s1","","2024-11-04","2025-11-21","(3S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","2025-11-26"],["A1EMB","4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine","C20 H19 F N6 S","Cn1cc(Cc2cc(nc(c2)c3ccc(F)nc3C)c4sc(C)cn4)nc1N;Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn(c(n4)N)C","InChI=1S/C20H19FN6S/c1-11-9-23-19(28-11)17-8-13(6-14-10-27(3)20(22)25-14)7-16(26-17)15-4-5-18(21)24-12(15)2/h4-5,7-10H,6H2,1-3H3,(H2,22,25)","","2025-02-21","2026-02-27","4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine","2026-03-04"],["A1L1E","NE52-QQ57","C24 H28 N6 O","CCc1nn2c(C)cc(C)nc2c1Cc3ccc(cc3)c4oc(nn4)C5CCNCC5;CCc1c(c2nc(cc(n2n1)C)C)Cc3ccc(cc3)c4nnc(o4)C5CCNCC5","InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3","2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole","2024-05-01","2025-04-18","2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole","2025-04-23"],["G51","(5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","C24 H23 F3 N4 O3","O=C(c1c2n(nc1)C(CC(N2)c3ccc(cc3)CC)C(F)(F)F)NCc4cc5c(cc4)OCO5;CCc1ccc(cc1)[CH]2C[CH](n3ncc(C(=O)NCc4ccc5OCOc5c4)c3N2)C(F)(F)F;CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F","InChI=1S/C24H23F3N4O3/c1-2-14-3-6-16(7-4-14)18-10-21(24(25,26)27)31-22(30-18)17(12-29-31)23(32)28-11-15-5-8-19-20(9-15)34-13-33-19/h3-9,12,18,21,30H,2,10-11,13H2,1H3,(H,28,32)/t18-,21+/m1/s1","","2015-09-20","2016-01-15","(5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-01-20"],["ZSN","1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid","C3 H7 N3 O3","O=C(N)CN(N)C(=O)O;NN(CC(N)=O)C(O)=O;C(C(=O)N)N(C(=O)O)N","InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)","Aza-asparagine","2012-06-01","2024-09-27","1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid","2013-06-26"],["XLQ","2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one","C15 H16 F6 N4 O","Nc1nc2CN(C[CH]3CCC[CH](C3)C(F)(F)F)C(=O)c2c(n1)C(F)(F)F;C1CC(CC(C1)C(F)(F)F)CN2Cc3c(c(nc(n3)N)C(F)(F)F)C2=O","InChI=1S/C15H16F6N4O/c16-14(17,18)8-3-1-2-7(4-8)5-25-6-9-10(12(25)26)11(15(19,20)21)24-13(22)23-9/h7-8H,1-6H2,(H2,22,23,24)","","2023-11-03","2024-10-25","2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one","2024-10-30"],["A1BFQ","1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol","C7 H8 N4 O","Oc1nncc2c1n(C)nc2C;Cn1nc(C)c2cnnc(O)c12;Cc1c2cnnc(c2n(n1)C)O","InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12)","","2024-11-04","2024-11-22","1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol","2024-11-27"],["XLR","1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol","C7 H14 F2 N O8 P","FC(F)(CC(O)C(O)C(O)CN(O)C=O)P(=O)(O)O;O[CH](CN(O)C=O)[CH](O)[CH](O)CC(F)(F)[P](O)(O)=O;C(C(C(C(CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O","InChI=1S/C7H14F2NO8P/c8-7(9,19(16,17)18)1-4(12)6(14)5(13)2-10(15)3-11/h3-6,12-15H,1-2H2,(H2,16,17,18)/t4-,5+,6-/m1/s1","","2022-11-29","2023-12-01","1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol","2023-12-06"],["ZSO","5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole","C19 H20 F N3 O","Fc4ccc(C1CCNCC1COc3cc2cnnc2cc3)cc4;Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4n[nH]cc4c3;c1cc(ccc1C2CCNCC2COc3ccc4c(c3)c[nH]n4)F","InChI=1S/C19H20FN3O/c20-16-3-1-13(2-4-16)18-7-8-21-10-15(18)12-24-17-5-6-19-14(9-17)11-22-23-19/h1-6,9,11,15,18,21H,7-8,10,12H2,(H,22,23)/t15-,18-/m0/s1","","2017-07-16","2017-12-22","5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole","2017-12-27"],["G52","(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate","C30 H40 N2 O9 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3C4C2C(OCC2)OC4OC3)Cc5ccccc5;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4O[CH]5OCC[CH]5[CH]34;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C4CCOC4O3)O)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C30H40N2O9S/c1-19(2)16-32(42(35,36)22-11-9-21(37-3)10-12-22)17-25(33)24(15-20-7-5-4-6-8-20)31-30(34)40-26-18-39-29-27(26)23-13-14-38-28(23)41-29/h4-12,19,23-29,33H,13-18H2,1-3H3,(H,31,34)/t23-,24+,25-,26+,27+,28+,29+/m1/s1","","2010-09-02","2011-06-04","(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate",""],["A1L1U","Nocardicin G","C19 H19 N3 O6","N[CH](C(=O)N[CH]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3;c1cc(ccc1C(C(=O)NC2CN(C2=O)C(c3ccc(cc3)O)C(=O)O)N)O","InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1","(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid","2024-05-14","2025-05-09","(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid","2025-05-14"],["A1ANF","1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one","C12 H14 Cl N O","O=C(CN1CCCC1)c1ccccc1Cl;Clc1ccccc1C(=O)CN2CCCC2;c1ccc(c(c1)C(=O)CN2CCCC2)Cl","InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2","","2024-04-15","2024-04-19","1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one","2024-04-24"],["A1EMQ","8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-6-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]chromen-4-one","C26 H28 O14","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)c([CH]3OC[CH](O)[CH](O)[CH]3O)c(O)c4C(=O)C=C(Oc24)c5ccc(O)cc5;c1cc(ccc1C2=CC(=O)c3c(c(c(c(c3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(CO5)O)O)O)O)O","InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1","Isoschaftoside","2025-03-06","2026-02-27","8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-6-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]chromen-4-one","2026-03-04"],["A1EMR","6-fluoranyl-8-(methylamino)-N-(pyrimidin-5-ylmethyl)-9H-pyrido[2,3-b]indole-3-carboxamide","C18 H15 F N6 O","CNc1cc(F)cc2c1[nH]c3ncc(cc23)C(=O)NCc4cncnc4;CNc1cc(cc2c1[nH]c3c2cc(cn3)C(=O)NCc4cncnc4)F","InChI=1S/C18H15FN6O/c1-20-15-4-12(19)3-13-14-2-11(8-23-17(14)25-16(13)15)18(26)24-7-10-5-21-9-22-6-10/h2-6,8-9,20H,7H2,1H3,(H,23,25)(H,24,26)","","2025-03-07","2025-03-28","6-fluoranyl-8-(methylamino)-~{N}-(pyrimidin-5-ylmethyl)-9~{H}-pyrido[2,3-b]indole-3-carboxamide","2025-04-02"],["XLS","D-xylose","C5 H10 O5","O=CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1","D-XYLOSE (LINEAR FORM)","1999-07-08","2020-07-17","D-xylose",""],["ZSP","2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one","C9 H11 N5 O3","O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1;CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O;CC(=C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O","InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-","Sepiapterin  (enol-form)","2013-12-20","2021-03-01","2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one","2014-07-16"],["A1L2B","[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2R,3R)-3-oxidanyl-2-tetradecyl-octadecanoate","C38 H74 O8","CCCCCCCCCCCCCCC[CH](O)[CH](CCCCCCCCCCCCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OCC1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C38H74O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(39)31(28-26-24-22-20-18-16-14-12-10-8-6-4-2)37(43)45-30-33-34(40)35(41)36(42)38(44)46-33/h31-36,38-42,44H,3-30H2,1-2H3/t31-,32-,33-,34-,35+,36-,38+/m1/s1","","2024-06-06","2024-12-27","[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2~{R},3~{R})-3-oxidanyl-2-tetradecyl-octadecanoate","2025-01-01"],["G53","methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate","C32 H39 N3 O10 S","c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)Cc4ccccc4)CC(C)C)=O)c5occ(n5)C(=O)OC;COC(=O)c1coc(n1)c2ccc(cc2)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC","InChI=1S/C32H39N3O10S/c1-20(2)16-35(46(39,40)23-11-9-22(10-12-23)29-33-26(18-43-29)30(37)41-3)17-27(36)25(15-21-7-5-4-6-8-21)34-32(38)45-28-19-44-31-24(28)13-14-42-31/h4-12,18,20,24-25,27-28,31,36H,13-17,19H2,1-3H3,(H,34,38)/t24-,25-,27+,28-,31+/m0/s1","","2017-09-28","2017-11-17","methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate","2017-11-22"],["A1BFR","(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide","C10 H18 N2 O3","CN(C)C(=O)N1CCOCC21COCC2;CN(C)C(=O)N1CCOC[C]12CCOC2;CN(C)C(=O)N1CCOCC12CCOC2","InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m0/s1","","2024-11-04","2024-11-22","(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide","2024-11-27"],["ZSS","(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate","C9 H11 Cl N2 S","Clc1ccc(cc1)C(C)SC(=N)N;C[CH](SC(N)=N)c1ccc(Cl)cc1;CC(c1ccc(cc1)Cl)SC(=N)N","InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1","","2021-05-28","2021-08-27","(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate","2021-09-01"],["A1L2E","(5S)-5-[(3-nitro[1,1'-biphenyl]-4-yl)methyl]furan-2(5H)-one","C17 H13 N O4","[O-][N+](=O)c1cc(ccc1CC1C=CC(=O)O1)c1ccccc1;[O-][N+](=O)c1cc(ccc1C[CH]2OC(=O)C=C2)c3ccccc3;c1ccc(cc1)c2ccc(c(c2)[N+](=O)[O-])CC3C=CC(=O)O3","InChI=1S/C17H13NO4/c19-17-9-8-15(22-17)10-14-7-6-13(11-16(14)18(20)21)12-4-2-1-3-5-12/h1-9,11,15H,10H2/t15-/m1/s1","","2024-06-12","2026-04-04","(5S)-5-[(3-nitro[1,1'-biphenyl]-4-yl)methyl]furan-2(5H)-one","2025-02-19"],["G54","[(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide","C17 H15 N5","n4c3ncnc(c1cc2c(cc1)CCC2(NC#N)C)c3cc4;C[C]1(CCc2ccc(cc12)c3ncnc4[nH]ccc34)NC#N;CC1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N","InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)/t17-/m0/s1","","2018-05-04","2018-11-23","[(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide","2018-11-28"],["XLT","5-{3-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl]-3-oxopropyl}-1,3-oxazol-2(3H)-one","C29 H38 N4 O6","O=C1NC=C(O1)CCC(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;O=C1NC=C(CCC(=O)N2C[CH]3CCN(CC[CH]3C2)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6)O1;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CCC5CN(CC5CC4)C(=O)CCC6=CNC(=O)O6","InChI=1S/C29H38N4O6/c34-27(4-3-24-15-30-29(36)39-24)33-16-21-5-9-32(10-6-22(21)17-33)28(35)23-13-25(20-1-2-20)31-26(14-23)38-18-19-7-11-37-12-8-19/h13-15,19-22H,1-12,16-18H2,(H,30,36)","","2023-06-07","2024-12-13","5-{3-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl]-3-oxopropyl}-1,3-oxazol-2(3H)-one","2024-12-18"],["A1BGU","N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide","C15 H18 N6 O","O=C(Nc1cn(C)nc1)c1ccc2nc(NC(C)C)[NH]c2c1;CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3cnn(C)c3;CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3cnn(c3)C","InChI=1S/C15H18N6O/c1-9(2)17-15-19-12-5-4-10(6-13(12)20-15)14(22)18-11-7-16-21(3)8-11/h4-9H,1-3H3,(H,18,22)(H2,17,19,20)","","2024-11-11","2025-02-21","N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide","2025-02-26"],["A1EMV","Silodosin","C25 H32 F3 N3 O4","C[CH](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F;CC(Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO)NCCOc3ccccc3OCC(F)(F)F","InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1","","2025-03-07","2025-06-27","1-(3-oxidanylpropyl)-5-[(2~{R})-2-[2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide","2025-07-02"],["A1ENB","4-(pyrazol-1-ylmethyl)aniline","C10 H11 N3","Nc1ccc(Cn2cccn2)cc1;c1cnn(c1)Cc2ccc(cc2)N","InChI=1S/C10H11N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8,11H2","","2025-03-18","2026-03-13","4-(pyrazol-1-ylmethyl)aniline","2026-03-18"],["ZST","3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID","C19 H12 F3 N3 O3 S","FC(F)(F)c1cc2nc(sc2cc1)CN3N=C(c4ccccc4C3=O)CC(=O)O;OC(=O)CC1=NN(Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4ccccc14;c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O","InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)","","1999-07-08","2011-06-04","(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid",""],["A1BGV","N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide","C16 H18 N6 O2","NC(=O)c1cc(c[NH]1)NC(=O)c1ccc2nc(NC(C)C)[NH]c2c1;CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3c[nH]c(c3)C(N)=O;CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3cc([nH]c3)C(=O)N","InChI=1S/C16H18N6O2/c1-8(2)19-16-21-11-4-3-9(5-12(11)22-16)15(24)20-10-6-13(14(17)23)18-7-10/h3-8,18H,1-2H3,(H2,17,23)(H,20,24)(H2,19,21,22)","","2024-11-11","2025-02-21","N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide","2025-02-26"],["A1ANU","7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","C29 H31 N5 O3 S","O=C1Nc2ccc(cc2C1(C)C)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3ccc4NC(=O)C(C)(C)c4c3)c5ccc6CCC[S](=O)(=O)c6c5;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5ccc6c(c5)C(C(=O)N6)(C)C","InChI=1S/C29H31N5O3S/c1-16(2)25(19-8-7-17-6-5-11-38(36,37)24(17)13-19)34-27-20-14-23(32-26(20)30-15-31-27)18-9-10-22-21(12-18)29(3,4)28(35)33-22/h7-10,12-16,25H,5-6,11H2,1-4H3,(H,33,35)(H2,30,31,32,34)/t25-/m1/s1","","2024-04-17","2024-05-10","7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","2024-05-15"],["XLV","3,4-dimethyl-1,2-oxazol-5-amine","C5 H8 N2 O","n1oc(N)c(C)c1C;Cc1noc(N)c1C;Cc1c(noc1N)C","InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3","","2020-12-18","2021-01-08","3,4-dimethyl-1,2-oxazol-5-amine","2021-01-13"],["A1L2O","(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","C22 H24 N8 O8 P S4","CCON=C(C(=O)N[CH](C=O)[CH]1NC(=C(CS1)Sc2scc(n2)c3cc[n+](C)cc3)C(O)=O)c4nsc(N[P](O)(O)=O)n4;CCON=C(c1nc(sn1)NP(=O)(O)O)C(=O)NC(C=O)C2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O","InChI=1S/C22H23N8O8PS4/c1-3-38-27-16(17-26-21(43-29-17)28-39(35,36)37)18(32)23-12(8-31)19-25-15(20(33)34)14(10-40-19)42-22-24-13(9-41-22)11-4-6-30(2)7-5-11/h4-9,12,19,25H,3,10H2,1-2H3,(H4-,23,26,28,29,32,33,34,35,36,37)/p+1/b27-16-/t12-,19-/m1/s1","","2024-07-01","2025-06-27","(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2025-07-02"],["G55","(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate","C27 H38 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COCOCC2)Cc3ccccc3;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCOCOC3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC","InChI=1S/C27H38N2O8S/c1-20(2)16-29(38(32,33)24-11-9-22(34-3)10-12-24)17-26(30)25(15-21-7-5-4-6-8-21)28-27(31)37-23-13-14-35-19-36-18-23/h4-12,20,23,25-26,30H,13-19H2,1-3H3,(H,28,31)/t23-,25+,26-/m1/s1","","2008-07-02","2011-06-04","(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate",""],["XLW","5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol","C16 H13 F N4 O","Fc1ccc(CNc2ncccc2c2ccncn2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3ccncn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3ccncn3","InChI=1S/C16H13FN4O/c17-12-4-3-11(15(22)8-12)9-20-16-13(2-1-6-19-16)14-5-7-18-10-21-14/h1-8,10,22H,9H2,(H,19,20)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["A1L4A","2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one","C23 H22 N2 O5","COc1ccc(cc1)N2N(C)c3ccc(c(C)c3C2=O)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(N2C)c3ccc(cc3)OC)C(=O)C4=C(CCCC4=O)O","InChI=1S/C23H22N2O5/c1-13-16(22(28)21-18(26)5-4-6-19(21)27)11-12-17-20(13)23(29)25(24(17)2)14-7-9-15(30-3)10-8-14/h7-12,26H,4-6H2,1-3H3","","2024-09-18","2025-09-12","2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one","2025-09-17"],["A1BHQ","(2M)-2-[5-chloro-2-(piperazin-1-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,3-benzimidazole-4-carboxamide","C22 H21 Cl N6 O S","Cc1cnc(NC(=O)c2cccc3[NH]c(nc32)c2cc(Cl)ccc2N2CCNCC2)s1;Cc1sc(NC(=O)c2cccc3[nH]c(nc23)c4cc(Cl)ccc4N5CCNCC5)nc1;Cc1cnc(s1)NC(=O)c2cccc3c2nc([nH]3)c4cc(ccc4N5CCNCC5)Cl","InChI=1S/C22H21ClN6OS/c1-13-12-25-22(31-13)28-21(30)15-3-2-4-17-19(15)27-20(26-17)16-11-14(23)5-6-18(16)29-9-7-24-8-10-29/h2-6,11-12,24H,7-10H2,1H3,(H,26,27)(H,25,28,30)","","2024-11-20","2025-11-21","(2M)-2-[5-chloro-2-(piperazin-1-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,3-benzimidazole-4-carboxamide","2025-11-26"],["G56","(2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid","C18 H16 F3 N O5","OC(=O)[CH](Cc1ccccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2;c1ccc(cc1)CC(C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F","InChI=1S/C18H16F3NO5/c19-18(20,21)27-14-8-6-13(7-9-14)26-11-16(23)22-15(17(24)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1","","2020-07-22","2021-09-03","(2~{S})-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid","2021-09-08"],["ZSV","(R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium","C32 H35 N2 O8","COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O)cc1;COc1ccc(cc1)CNC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C32H34N2O8/c1-3-16-34(18-22-6-4-5-7-26(22)31(37)33-17-21-8-11-24(40-2)12-9-21)19-23-10-14-27-30(29(23)32(38)39)41-20-25(42-27)13-15-28(35)36/h3-12,14,25H,1,13,15-20H2,2H3,(H,33,37)(H,35,36)(H,38,39)/p+1/t25-/m0/s1","","2011-07-01","2023-09-23","[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium",""],["A1ENE","4,5-bis(chloranyl)-2-methyl-pyridazin-3-one","C5 H4 Cl2 N2 O","CN1N=CC(=C(Cl)C1=O)Cl;CN1C(=O)C(=C(C=N1)Cl)Cl","InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3","","2025-03-18","2026-03-13","4,5-bis(chloranyl)-2-methyl-pyridazin-3-one","2026-03-18"],["G57","2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid","C26 H23 F3 N4 O3","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3cccc(CC(O)=O)c3)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N","InChI=1S/C26H23F3N4O3/c1-13(2)25(20(12-30)23(31)36-24-22(25)14(3)32-33-24)18-9-17(10-19(11-18)26(27,28)29)16-6-4-5-15(7-16)8-21(34)35/h4-7,9-11,13H,8,31H2,1-3H3,(H,32,33)(H,34,35)/t25-/m0/s1","","2016-09-14","2017-07-07","2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid","2017-07-12"],["A1ANY","7-[(1R)-2-methyl-1-{[(6M)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","C25 H27 N5 O3 S","O=C1C=CC(=CN1C)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)C3=CN(C)C(=O)C=C3)c4ccc5CCC[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)C5=CN(C(=O)C=C5)C","InChI=1S/C25H27N5O3S/c1-15(2)23(17-7-6-16-5-4-10-34(32,33)21(16)11-17)29-25-19-12-20(28-24(19)26-14-27-25)18-8-9-22(31)30(3)13-18/h6-9,11-15,23H,4-5,10H2,1-3H3,(H2,26,27,28,29)/t23-/m1/s1","","2024-04-18","2024-05-10","7-[(1R)-2-methyl-1-{[(6M)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","2024-05-15"],["A1BHZ","(R)-pantaphos","C5 H7 O8 P","OC(=O)C(=C/C(=O)O)C(O)P(=O)(O)O;O[CH](C(=CC(O)=O)C(O)=O)[P](O)(O)=O;C(=C(C(O)P(=O)(O)O)C(=O)O)C(=O)O","InChI=1S/C5H7O8P/c6-3(7)1-2(4(8)9)5(10)14(11,12)13/h1,5,10H,(H,6,7)(H,8,9)(H2,11,12,13)/b2-1+/t5-/m1/s1","(2E)-2-[(R)-hydroxy(phosphono)methyl]but-2-enedioic acid","2024-11-21","2026-03-13","(2E)-2-[(R)-hydroxy(phosphono)methyl]but-2-enedioic acid","2026-03-18"],["A1L4Z","2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid","C11 H13 N2 O9 P","Cc1ncc(CO[P](O)(O)=O)c(C=NC(C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(=O)O)C(=O)O)O","InChI=1S/C11H13N2O9P/c1-5-9(14)7(3-13-8(10(15)16)11(17)18)6(2-12-5)4-22-23(19,20)21/h2-3,8,14H,4H2,1H3,(H,15,16)(H,17,18)(H2,19,20,21)/b13-3+","","2024-10-15","2025-07-11","2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid","2025-07-16"],["ZSW","(R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium","C28 H35 N2 O7","CC[CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O[CH](CCC(O)=O)COc3c2C(O)=O;CCC(C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3c(c2C(=O)O)OCC(O3)CCC(=O)O","InChI=1S/C28H34N2O7/c1-4-14-30(15-19-8-6-7-9-22(19)27(33)29-18(3)5-2)16-20-10-12-23-26(25(20)28(34)35)36-17-21(37-23)11-13-24(31)32/h4,6-10,12,18,21H,1,5,11,13-17H2,2-3H3,(H,29,33)(H,31,32)(H,34,35)/p+1/t18-,21+/m1/s1","","2011-07-01","2023-09-23","[2-[[(2~{R})-butan-2-yl]carbamoyl]phenyl]methyl-[[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium",""],["XLX","4,4'-(ethylenediimino)bis[4-oxobutyrate]","C11 H18 N2 O6","O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O;OC(=O)CCCC(=O)NCCNC(=O)CCC(O)=O;C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O","InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)","1,2-bis(maleimido)ethane, hydrolyzed open form","2012-08-06","2024-09-27","5-({2-[(3-carboxypropanoyl)amino]ethyl}amino)-5-oxopentanoic acid",""],["A1ENF","5-azanyl-1-methyl-3~{H}-indol-2-one","C9 H10 N2 O","CN1C(=O)Cc2cc(N)ccc12;CN1c2ccc(cc2CC1=O)N","InChI=1S/C9H10N2O/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5,10H2,1H3","","2025-03-18","2026-03-13","5-azanyl-1-methyl-3~{H}-indol-2-one","2026-03-18"],["G58","N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide","C25 H23 Cl F N3 O4 S2","Cn1cnc(c1)[S](=O)(=O)N(Cc2ccc(cc2)c3cccc(c3)[S](C)(=O)=O)Cc4c(F)cccc4Cl;Cn1cc(nc1)S(=O)(=O)N(Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F","InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3","","2010-01-05","2011-06-04","N-[(2-chloro-6-fluoro-phenyl)methyl]-1-methyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]imidazole-4-sulfonamide",""],["A1ANZ","7-[(1R)-1-{[(6M)-6-{2-[2-(dimethylamino)ethoxy]pyridin-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","C28 H34 N6 O3 S","CN(C)CCOc1nccc(c1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C;CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3ccnc(OCCN(C)C)c3)c4ccc5CCC[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5ccnc(c5)OCCN(C)C","InChI=1S/C28H34N6O3S/c1-18(2)26(21-8-7-19-6-5-13-38(35,36)24(19)14-21)33-28-22-16-23(32-27(22)30-17-31-28)20-9-10-29-25(15-20)37-12-11-34(3)4/h7-10,14-18,26H,5-6,11-13H2,1-4H3,(H2,30,31,32,33)/t26-/m1/s1","","2024-04-18","2024-05-10","7-[(1R)-1-{[(6M)-6-{2-[2-(dimethylamino)ethoxy]pyridin-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","2024-05-15"],["ZSX","(2R)-amino(4-methoxyphenyl)acetic acid","C9 H11 N O3","COc1ccc(cc1)C(N)C(=O)O;COc1ccc(cc1)[CH](N)C(O)=O;COc1ccc(cc1)C(C(=O)O)N","InChI=1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1","","2023-03-30","2024-09-27","(2R)-amino(4-methoxyphenyl)acetic acid","2023-06-21"],["A1ENU","~{N}-(4-ethoxyphenyl)-4-[(10~{R},15~{S})-10-(4-methylphenyl)-12,14-bis(oxidanylidene)-8,11,13-triazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(9),2,4,6-tetraen-13-yl]benzamide","C35 H30 N4 O4","CCOc1ccc(NC(=O)c2ccc(cc2)N3C(=O)[CH]4Cc5c([nH]c6ccccc56)[CH](N4C3=O)c7ccc(C)cc7)cc1;CCOc1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)C4Cc5c6ccccc6[nH]c5C(N4C3=O)c7ccc(cc7)C","InChI=1S/C35H30N4O4/c1-3-43-26-18-14-24(15-19-26)36-33(40)23-12-16-25(17-13-23)38-34(41)30-20-28-27-6-4-5-7-29(27)37-31(28)32(39(30)35(38)42)22-10-8-21(2)9-11-22/h4-19,30,32,37H,3,20H2,1-2H3,(H,36,40)/t30-,32+/m0/s1","","2025-03-21","2026-03-13","~{N}-(4-ethoxyphenyl)-4-[(10~{R},15~{S})-10-(4-methylphenyl)-12,14-bis(oxidanylidene)-8,11,13-triazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(9),2,4,6-tetraen-13-yl]benzamide","2026-03-18"],["XLY","(3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one","C10 H12 N2 O","N2C(c1ccccc1NCC2C)=O;C[CH]1CNc2ccccc2C(=O)N1;CC1CNc2ccccc2C(=O)N1","InChI=1S/C10H12N2O/c1-7-6-11-9-5-3-2-4-8(9)10(13)12-7/h2-5,7,11H,6H2,1H3,(H,12,13)","","2020-12-18","2021-01-08","(3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one","2021-01-13"],["A1L6Q","(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile","C14 H10 Cl N3 S2","Clc1ccccc1[CH]2CSC(S2)=C(C#N)n3ccnc3;c1ccc(c(c1)C2CSC(=C(C#N)n3ccnc3)S2)Cl","InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+/t13-/m0/s1","lanoconazole","2024-12-07","2025-05-16","(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile","2025-05-21"],["XLZ","7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C24 H26 Cl N5 O4 S","C[CH](n1cc(CCCN)nn1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)n4cc(nn4)CCCN","InChI=1S/C24H26ClN5O4S/c1-14(30-12-17(28-29-30)5-4-10-26)18-6-3-7-19-21(23(24(31)32)27-22(18)19)15-8-9-16(20(25)11-15)13-35(2,33)34/h3,6-9,11-12,14,27H,4-5,10,13,26H2,1-2H3,(H,31,32)/t14-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["ZSY","N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide","C19 H17 N3 O3","O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1;Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4;c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4","InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23)","","2021-05-28","2021-08-27","N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide","2021-09-01"],["A1AOA","7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","C24 H30 N4 O3 S","CC(=O)N1C2CCC1Cc1ncnc(NC(c3ccc4CCCS(=O)(=O)c4c3)C(C)C)c21;CC(C)[CH](Nc1ncnc2C[CH]3CC[CH](N3C(C)=O)c12)c4ccc5CCC[S](=O)(=O)c5c4;CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4c(ncn3)CC5CCC4N5C(=O)C","InChI=1S/C24H30N4O3S/c1-14(2)23(17-7-6-16-5-4-10-32(30,31)21(16)11-17)27-24-22-19(25-13-26-24)12-18-8-9-20(22)28(18)15(3)29/h6-7,11,13-14,18,20,23H,4-5,8-10,12H2,1-3H3,(H,25,26,27)/t18-,20+,23-/m0/s1","","2024-04-18","2024-05-10","7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione","2024-05-15"],["A1L7D","5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione","C20 H15 N3 O4","Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2;Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O","InChI=1S/C20H15N3O4/c1-22-18(25)16(10-21-22)17(24)13-7-8-14-15(9-13)20(27)23(19(14)26)11-12-5-3-2-4-6-12/h2-10,25H,11H2,1H3","","2025-01-22","2025-06-27","5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione","2025-07-02"],["G59","(5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","C23 H25 F N4 O","O=C(c3c1n(C(CC(N1)c2ccc(cc2)CC)C)nc3)NCc4ccc(cc4)F;CCc1ccc(cc1)[CH]2C[CH](C)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2;CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C","InChI=1S/C23H25FN4O/c1-3-16-4-8-18(9-5-16)21-12-15(2)28-22(27-21)20(14-26-28)23(29)25-13-17-6-10-19(24)11-7-17/h4-11,14-15,21,27H,3,12-13H2,1-2H3,(H,25,29)/t15-,21-/m1/s1","","2015-09-20","2016-01-15","(5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-01-20"],["A1EOR","(2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H21 N3 O6 S","CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccc(O)cc2)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)C(c2ccc(cc2)O)N)C(=O)O)C","InChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t9-,10+,11+,13-/m1/s1","Amoxicilloic acid","2025-04-04","2025-07-04","(2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2025-07-09"],["A1L7E","(2~{S})-2-azanyl-3-(7-iodanyl-1~{H}-indol-3-yl)propanoic acid","C11 H11 I N2 O2","N[CH](Cc1c[nH]c2c(I)cccc12)C(O)=O;c1cc2c(c[nH]c2c(c1)I)CC(C(=O)O)N","InChI=1S/C11H11IN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1","","2025-01-29","2026-01-16","(2~{S})-2-azanyl-3-(7-iodanyl-1~{H}-indol-3-yl)propanoic acid","2026-01-21"],["A1EPZ","(2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide","C21 H33 F3 N4 O5","CC(C)C[CH](NC(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C(=O)N[CH](C[CH]1CCNC1=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C(C(C)(C)C)NC(=O)C(F)(F)F","InChI=1S/C21H33F3N4O5/c1-11(2)8-14(17(31)26-13(10-29)9-12-6-7-25-16(12)30)27-18(32)15(20(3,4)5)28-19(33)21(22,23)24/h10-15H,6-9H2,1-5H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33)/t12-,13-,14-,15+/m0/s1","","2025-04-29","2025-12-19","(2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide","2025-12-24"],["G5A","5'-O-(glycylsulfamoyl)adenosine","C12 H17 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CN;NCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CN)O)O)N","InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1","","2009-08-03","2013-06-07","5'-O-(glycylsulfamoyl)adenosine",""],["ZT0","(4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM","C26 H27 N2 O6","O=C(NCc1ccc(OC)cc1)c2ccccc2C[NH+](C)Cc3ccc4OCOc4c3C(=O)O;COc1ccc(CNC(=O)c2ccccc2C[NH+](C)Cc3ccc4OCOc4c3C(O)=O)cc1;C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C26H26N2O6/c1-28(15-19-9-12-22-24(34-16-33-22)23(19)26(30)31)14-18-5-3-4-6-21(18)25(29)27-13-17-7-10-20(32-2)11-8-17/h3-12H,13-16H2,1-2H3,(H,27,29)(H,30,31)/p+1","","2011-07-01","2014-04-28","(4-carboxy-1,3-benzodioxol-5-yl)-N-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-N-methylmethanaminium",""],["XM0","INDAN-2-AMINE","C9 H11 N","NC1Cc2ccccc2C1;c1ccc2c(c1)CC(C2)N","InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2","","2015-03-02","2015-05-08","2,3-dihydro-1H-inden-2-amine","2015-05-13"],["XM1","(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine","C20 H23 Cl N6 O","O=C(N3CCN(c1ncnc2c1ccn2)CC3)C(Cc4ccc(Cl)cc4)CN;NC[CH](Cc1ccc(Cl)cc1)C(=O)N2CCN(CC2)c3ncnc4[nH]ccc34;c1cc(ccc1CC(CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl","InChI=1S/C20H23ClN6O/c21-16-3-1-14(2-4-16)11-15(12-22)20(28)27-9-7-26(8-10-27)19-17-5-6-23-18(17)24-13-25-19/h1-6,13,15H,7-12,22H2,(H,23,24,25)/t15-/m0/s1","","2010-08-10","2011-06-04","(2S)-3-amino-2-(4-chlorobenzyl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one",""],["A1L7Q","1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione","C27 H22 F3 N5 O2","Cc1cncc(c1)N2C(=O)N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4Cc5ccccc5C4;Cc1cc(cnc1)N2C(=O)C(=C(N(C2=O)CC=N)N3Cc4ccccc4C3)Cc5cc(c(c(c5)F)F)F","InChI=1S/C27H22F3N5O2/c1-16-8-20(13-32-12-16)35-26(36)21(9-17-10-22(28)24(30)23(29)11-17)25(34(7-6-31)27(35)37)33-14-18-4-2-3-5-19(18)15-33/h2-6,8,10-13,31H,7,9,14-15H2,1H3/b31-6-","","2025-02-19","2025-05-09","1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione","2025-05-14"],["ZT1","N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine","C14 H26 N4 O2","Cn1cncc1CN(CCCCC(N)C(=O)O)C(C)C;CC(C)N(CCCC[CH](N)C(O)=O)Cc1cncn1C;CC(C)N(CCCCC(C(=O)O)N)Cc1cncn1C","InChI=1S/C14H26N4O2/c1-11(2)18(9-12-8-16-10-17(12)3)7-5-4-6-13(15)14(19)20/h8,10-11,13H,4-7,9,15H2,1-3H3,(H,19,20)/t13-/m0/s1","","2021-05-28","2024-09-27","N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine","2021-07-21"],["A1AOE","(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol","C15 H21 F3 N2 O2","OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F;NC1CCN(CC1)C[CH](O)COc2cccc(c2)C(F)(F)F;c1cc(cc(c1)OCC(CN2CCC(CC2)N)O)C(F)(F)F","InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1","","2024-04-19","2024-05-03","(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol","2024-05-08"],["G5B","(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","C20 H29 Cl2 N O3","CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12;CC1(C2CCC(=C)C(C2(CC(C1Cl)Cl)C)CC(C3CC(=O)NC3=O)O)C","InChI=1S/C20H29Cl2NO3/c1-10-5-6-15-19(2,3)17(22)13(21)9-20(15,4)12(10)8-14(24)11-7-16(25)23-18(11)26/h11-15,17,24H,1,5-9H2,2-4H3,(H,23,25,26)/t11-,12+,13+,14+,15+,17-,20-/m1/s1","","2018-08-29","2019-02-15","(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","2019-02-20"],["A1EQ9","(S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl (2-(4-methylpiperazin-1-yl)-2-oxoethyl)carbamate","C30 H33 N5 O7","CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)NCC(=O)N6CCN(C)CC6)cc15)[C](O)(CC)C(=O)OC4;CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)NCC(=O)N6CCN(CC6)C","InChI=1S/C30H33N5O7/c1-4-18-19-12-17(42-29(39)31-14-25(36)34-10-8-33(3)9-11-34)6-7-23(19)32-26-20(18)15-35-24(26)13-22-21(27(35)37)16-41-28(38)30(22,40)5-2/h6-7,12-13,40H,4-5,8-11,14-16H2,1-3H3,(H,31,39)/t30-/m0/s1","","2025-06-05","2026-02-06","","2026-02-11"],["A1EQR","~{N}-cycloheptyl-4-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-1~{H}-imidazole-2-carboxamide","C19 H22 F N5 O5 S","Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O)c3c[nH]c(n3)C(=O)NC4CCCCCC4;c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3c[nH]c(n3)C(=O)NC4CCCCCC4","InChI=1S/C19H22FN5O5S/c20-13-7-11(8-15(26)17(13)25-10-16(27)24-31(25,29)30)14-9-21-18(23-14)19(28)22-12-5-3-1-2-4-6-12/h7-9,12,26H,1-6,10H2,(H,21,23)(H,22,28)(H,24,27)","","2025-05-22","2025-12-12","~{N}-cycloheptyl-4-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-1~{H}-imidazole-2-carboxamide","2025-12-17"],["G5C","2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C19 H19 N7 O2","CNc1nc(Nc2ccc(cc2OC)N3CCCC3=O)nc4[nH]cc(C#N)c14;CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N","InChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25)","","2020-07-23","2021-05-07","2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-05-12"],["A1L7R","1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione","C23 H18 Cl2 F3 N5 O2","Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(CC=N)C(=O)N(C2=O)c5cncc(Cl)c5;c1cc(c(cc1C2=C(N(C(=O)N(C2=O)c3cc(cnc3)Cl)CC=N)N4CC5(C4)CC(C5)(F)F)Cl)F","InChI=1S/C23H18Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-3,5-8,29H,4,9-12H2","","2025-02-19","2025-05-09","1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione","2025-05-14"],["A1AOF","(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol","C14 H18 Cl2 N2 O2","Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21;O[CH](CNC1[CH]2CNC[CH]12)COc3cc(Cl)cc(Cl)c3;c1c(cc(cc1Cl)Cl)OCC(CNC2C3C2CNC3)O","InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1","","2024-04-19","2024-05-03","(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol","2024-05-08"],["XM2","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide","C32 H44 N4 O7","c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C(C(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C","InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1","","2020-08-13","2024-09-27","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide","2020-12-23"],["ZT2","5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID","C18 H12 O5","O=C2C(c1ccccc1C2)=Cc3ccc4OCOc4c3C(=O)O;OC(=O)c1c2OCOc2ccc1C=C3C(=O)Cc4ccccc34;c1ccc2c(c1)CC(=O)C2=Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+","","2011-07-01","2014-09-05","5-[(E)-(2-oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid",""],["XM4","N-(4-chloro-2-methylphenyl)acetamide","C9 H10 Cl N O","N(c1ccc(cc1C)Cl)C(C)=O;CC(=O)Nc1ccc(Cl)cc1C;Cc1cc(ccc1NC(=O)C)Cl","InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)","","2020-12-18","2021-01-08","N-(4-chloro-2-methylphenyl)acetamide","2021-01-13"],["A1L7U","(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)methylcarbamic acid","C16 H15 N O5","Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CNC(O)=O;Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CNC(=O)O","InChI=1S/C16H15NO5/c1-7-4-13(18)22-14-8(2)15-11(5-10(7)14)12(9(3)21-15)6-17-16(19)20/h4-5,17H,6H2,1-3H3,(H,19,20)","","2025-02-25","2026-01-23","(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)methylcarbamic acid","2026-01-28"],["ZT3","N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide","C25 H28 N4 O","CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2ccc(C)c(C)c21;Cc1ccc2Nc3ncccc3CN(C(=O)Nc4ccc(cc4)C(C)(C)C)c2c1C;Cc1ccc2c(c1C)N(Cc3cccnc3N2)C(=O)Nc4ccc(cc4)C(C)(C)C","InChI=1S/C25H28N4O/c1-16-8-13-21-22(17(16)2)29(15-18-7-6-14-26-23(18)28-21)24(30)27-20-11-9-19(10-12-20)25(3,4)5/h6-14H,15H2,1-5H3,(H,26,28)(H,27,30)","","2023-07-03","2024-08-23","N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide","2024-08-28"],["G5D","4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide","C21 H23 N7 O2","N4(c1nc(ncc1)Nc2ccc(cc2)C(=O)NCC)C3CN(C(C3)C4)C(CC#N)=O;CCNC(=O)c1ccc(Nc2nccc(n2)N3C[CH]4C[CH]3CN4C(=O)CC#N)cc1;CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3CC4CC3CN4C(=O)CC#N","InChI=1S/C21H23N7O2/c1-2-23-20(30)14-3-5-15(6-4-14)25-21-24-10-8-18(26-21)27-12-17-11-16(27)13-28(17)19(29)7-9-22/h3-6,8,10,16-17H,2,7,11-13H2,1H3,(H,23,30)(H,24,25,26)/t16-,17-/m0/s1","","2018-05-04","2018-08-24","4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide","2018-08-29"],["A1ETT","5-[[5-(dimethylamino)thiophen-2-yl]methyl]-N,N-dimethyl-thiophen-2-amine","C13 H18 N2 S2","CN(C)c1sc(Cc2sc(cc2)N(C)C)cc1;CN(C)c1ccc(s1)Cc2ccc(s2)N(C)C","InChI=1S/C13H18N2S2/c1-14(2)12-7-5-10(16-12)9-11-6-8-13(17-11)15(3)4/h5-8H,9H2,1-4H3","","2025-07-17","2026-02-06","5-[[5-(dimethylamino)thiophen-2-yl]methyl]-~{N},~{N}-dimethyl-thiophen-2-amine","2026-02-11"],["A1AOP","5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide","C21 H17 F N2 O4 S3","CS(=O)(=O)c1cc(ccc1NS(=O)(=O)c1sc2ccc(F)cc2c1C)c1ccncc1;Cc1c2cc(F)ccc2sc1[S](=O)(=O)Nc3ccc(cc3[S](C)(=O)=O)c4ccncc4;Cc1c2cc(ccc2sc1S(=O)(=O)Nc3ccc(cc3S(=O)(=O)C)c4ccncc4)F","InChI=1S/C21H17FN2O4S3/c1-13-17-12-16(22)4-6-19(17)29-21(13)31(27,28)24-18-5-3-15(11-20(18)30(2,25)26)14-7-9-23-10-8-14/h3-12,24H,1-2H3","","2024-04-19","2025-02-28","5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide","2025-03-05"],["A1AOQ","3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-1H-indole-2-carboxylic acid","C22 H19 F N2 O3 S","CN(C)C(=O)Cc1c2ccccc2n(Cc2csc3ccc(F)cc32)c1C(=O)O;CN(C)C(=O)Cc1c2ccccc2n(Cc3csc4ccc(F)cc34)c1C(O)=O;CN(C)C(=O)Cc1c2ccccc2n(c1C(=O)O)Cc3csc4c3cc(cc4)F","InChI=1S/C22H19FN2O3S/c1-24(2)20(26)10-17-15-5-3-4-6-18(15)25(21(17)22(27)28)11-13-12-29-19-8-7-14(23)9-16(13)19/h3-9,12H,10-11H2,1-2H3,(H,27,28)","","2024-04-19","2025-02-28","3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-1H-indole-2-carboxylic acid","2025-03-05"],["A1L7V","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-[methyl(oxidanyl)-$l^{3}-sulfanyl]-~{N}-oxidanyl-pentanimidothioate","C12 H24 N O7 S2","C[S](O)CCCCC(S[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)=NO;C[S](CCCCC(=NO)SC1C(C(C(C(O1)CO)O)O)O)O","InChI=1S/C12H24NO7S2/c1-22(19)5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)20-12/h7,9-12,14-19H,2-6H2,1H3/b13-8-/t7-,9-,10+,11-,12+/m1/s1","","2025-02-25","2026-02-27","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-[methyl(oxidanyl)-$l^{3}-sulfanyl]-~{N}-oxidanyl-pentanimidothioate","2026-03-04"],["ZT4","5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID","C18 H14 O5","O=C(O)c1c(ccc2OCOc12)/C=C4c3ccccc3CC4O;O[CH]1Cc2ccccc2C1=Cc3ccc4OCOc4c3C(O)=O;c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O","InChI=1S/C18H14O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7,14,19H,8-9H2,(H,20,21)/b13-7+/t14-/m0/s1","","2011-07-01","2014-09-05","5-{(E)-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid",""],["A1EWY","(3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{S})-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole","C22 H26 N4","CN1CC[C]2([CH]1Nc3ccccc23)[C]45CCN(C)[CH]4Nc6ccccc56;CN1CCC2(C1Nc3c2cccc3)C45CCN(C4Nc6c5cccc6)C","InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1","Chimonanthine","2025-09-03","2026-03-27","(3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{S})-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole","2026-04-01"],["G5E","3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione","C14 H10 F N3 O2 S","Oc1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F;c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F","InChI=1S/C14H10FN3O2S/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21)","","2018-08-29","2019-07-05","3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione","2019-07-10"],["XM5","6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one","C12 H11 N O4","O=C1C=C(OC)c3c(N1C)c2OCOc2cc3;COC1=CC(=O)N(C)c2c3OCOc3ccc12;CN1c2c(ccc3c2OCO3)C(=CC1=O)OC","InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3","","2009-02-06","2011-06-04","6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one",""],["ZT6","(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine","C18 H30 Cl N O4 Si","Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O;CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C;CC(C)[Si](C(C)C)(C(C)C)OC(c1ccc(c(c1)Cl)O)C(C(=O)O)N","InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1","","2023-03-30","2024-09-27","(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine","2023-06-21"],["XM6","2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol","C17 H14 F N3 O","Fc1ccc(CNc2ncccc2c2ccccn2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3ccccn3;c1ccnc(c1)c2cccnc2NCc3ccc(cc3O)F","InChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21)","","2022-11-29","2023-12-08","2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol","2023-12-13"],["A1AOU","1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid","C20 H14 F N O2","O=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc21;OC(=O)c1cc2ccccc2n1Cc3cccc4ccc(F)cc34;c1ccc2c(c1)cc(n2Cc3cccc4c3cc(cc4)F)C(=O)O","InChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24)","","2024-04-19","2025-02-28","1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid","2025-03-05"],["A1L8Q","Menaquinone 10","C61 H88 O2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3/b47-26-,48-28+,49-30+,50-32-,51-34+,52-36+,53-38+,54-40+,55-44+","menaquinone-10","2025-03-14","2025-06-27","2-[(2~{E},6~{E},10~{E},14~{E},18~{E},22~{Z},26~{E},30~{E},34~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methyl-naphthalene-1,4-dione","2025-07-02"],["G5F","[(2~{S},3~{S},4~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[[(2~{S},3~{R})-2,3-bis(oxidanyl)butoxy]-oxidanyl-phosphoryl]oxy-2,3-bis(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","C23 H47 N O24 P2","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO;CC(=O)NC1C(C(C(OC1OC(COP(=O)(O)OCC(C(C(CO)O)O)O)C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)CO)O)O","InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19+,20-,21+,22+,23-/m0/s1","","2022-01-27","2022-08-26","[(2~{R},3~{S},4~{S})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","2022-08-31"],["A1H0P","3-O-sulfo-alpha-D-mannopyranose","C6 H12 O9 S","OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)O)O","InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6+/m1/s1","[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate","2023-12-16","2024-08-23","[(2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate","2024-08-28"],["A1H0Q","1-[[1-[(2S,3S,4R,5S,6R)-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine","C12 H21 Cl N6 O5","NC(=N)NCc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2OCCCl;c1c(nnn1C2C(C(C(OC2OCCCl)CO)O)O)CNC(=N)N","InChI=1S/C12H21ClN6O5/c13-1-2-23-11-8(10(22)9(21)7(5-20)24-11)19-4-6(17-18-19)3-16-12(14)15/h4,7-11,20-22H,1-3,5H2,(H4,14,15,16)/t7-,8+,9-,10-,11+/m1/s1","","2023-12-16","2024-10-11","1-[[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine","2024-10-16"],["ZT7","1-(5-amino-2H-isoindol-2-yl)ethan-1-one","C10 H10 N2 O","CC(=O)n1cc2ccc(N)cc2c1;CC(=O)n1cc2ccc(N)cc2c1;CC(=O)n1cc2ccc(cc2c1)N","InChI=1S/C10H10N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-6H,11H2,1H3","","2023-07-03","2023-07-07","1-(5-amino-2H-isoindol-2-yl)ethan-1-one","2023-07-12"],["A1L8S","acyclic D-threoninol nucleic acid ","C4 H12 N O5 P","C[CH](O)[CH](N)CO[P](O)(O)=O;CC(C(COP(=O)(O)O)N)O","InChI=1S/C4H12NO5P/c1-3(6)4(5)2-10-11(7,8)9/h3-4,6H,2,5H2,1H3,(H2,7,8,9)/t3-,4-/m0/s1","[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butyl] dihydrogen phosphate","2025-03-27","2026-03-20","[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butyl] dihydrogen phosphate","2026-03-25"],["G5G","(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid","C6 H13 N O4","C(CC(N)C(O)=O)(CO)(C)O;C[C](O)(CO)C[CH](N)C(O)=O;CC(CC(C(=O)O)N)(CO)O","InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6-/m0/s1","","2018-05-04","2024-09-27","(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name)","2018-09-19"],["XM7","5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine","C11 H16 N5 O7 P","c1nc3c(c(n1)N)ncn3C2C(C(C(O2)COP(OC)(O)=O)O)O;CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H16N5O7P/c1-21-24(19,20)22-2-5-7(17)8(18)11(23-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","","2020-12-18","2020-12-25","5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine","2020-12-30"],["A1H0U","7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine","C12 H15 N5 O","COc1ccc2NC3=NC(=NC(C)(C)N3c2c1)N;CC1(N=C(N=C2N1c3cc(ccc3N2)OC)N)C","InChI=1S/C12H15N5O/c1-12(2)16-10(13)15-11-14-8-5-4-7(18-3)6-9(8)17(11)12/h4-6H,1-3H3,(H3,13,14,15,16)","","2023-12-18","2024-11-15","7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine","2024-11-20"],["A1AOY","5-fluoro-3-methyl-N-[4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide","C21 H14 F4 N2 O2 S2","FC(F)(F)c1cc(ccc1NS(=O)(=O)c1sc2ccc(F)cc2c1C)c1ccncc1;Cc1c2cc(F)ccc2sc1[S](=O)(=O)Nc3ccc(cc3C(F)(F)F)c4ccncc4;Cc1c2cc(ccc2sc1S(=O)(=O)Nc3ccc(cc3C(F)(F)F)c4ccncc4)F","InChI=1S/C21H14F4N2O2S2/c1-12-16-11-15(22)3-5-19(16)30-20(12)31(28,29)27-18-4-2-14(10-17(18)21(23,24)25)13-6-8-26-9-7-13/h2-11,27H,1H3","","2024-04-19","2025-02-28","5-fluoro-3-methyl-N-[4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide","2025-03-05"],["XM8","7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H27 Cl N2 O5 S","C[CH](OCc1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OCc4ccc(cc4)CN","InChI=1S/C27H27ClN2O5S/c1-16(35-14-18-8-6-17(13-29)7-9-18)21-4-3-5-22-24(26(27(31)32)30-25(21)22)19-10-11-20(23(28)12-19)15-36(2,33)34/h3-12,16,30H,13-15,29H2,1-2H3,(H,31,32)/t16-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["A1L8Z","2-[2-fluoranyl-4-[4-[2-[4-[(1~{R},2~{S})-2-fluoranylcyclopropyl]carbonylpiperazin-1-yl]ethoxy]phenyl]phenyl]-~{N}-(phenylmethyl)ethanamide","C31 H33 F2 N3 O3","F[CH]1C[CH]1C(=O)N2CCN(CCOc3ccc(cc3)c4ccc(CC(=O)NCc5ccccc5)c(F)c4)CC2;c1ccc(cc1)CNC(=O)Cc2ccc(cc2F)c3ccc(cc3)OCCN4CCN(CC4)C(=O)C5CC5F","InChI=1S/C31H33F2N3O3/c32-28-18-24(6-7-25(28)19-30(37)34-21-22-4-2-1-3-5-22)23-8-10-26(11-9-23)39-17-16-35-12-14-36(15-13-35)31(38)27-20-29(27)33/h1-11,18,27,29H,12-17,19-21H2,(H,34,37)/t27-,29-/m0/s1","","2025-04-02","2026-03-20","2-[2-fluoranyl-4-[4-[2-[4-[(1~{R},2~{S})-2-fluoranylcyclopropyl]carbonylpiperazin-1-yl]ethoxy]phenyl]phenyl]-~{N}-(phenylmethyl)ethanamide","2026-03-25"],["G5H","5'-O-(N-(L-aspartyl)-sulfamoyl)uridine","C13 H18 N4 O11 S","N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O","InChI=1S/C13H18N4O11S/c14-5(3-8(19)20)11(23)16-29(25,26)27-4-6-9(21)10(22)12(28-6)17-2-1-7(18)15-13(17)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,16,23)(H,19,20)(H,15,18,24)/t5-,6+,9+,10+,12+/m0/s1","","2018-08-29","2019-12-13","(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid","2019-12-18"],["ZT9","(2R)-amino(4-methoxyphenyl)ethanethioic O-acid","C9 H11 N O2 S","COc1ccc(cc1)C(N)C(O)=S;COc1ccc(cc1)[CH](N)C(O)=S;COc1ccc(cc1)C(C(=S)O)N","InChI=1S/C9H11NO2S/c1-12-7-4-2-6(3-5-7)8(10)9(11)13/h2-5,8H,10H2,1H3,(H,11,13)/t8-/m1/s1","","2023-03-30","2024-09-27","(2R)-amino(4-methoxyphenyl)ethanethioic O-acid","2023-06-21"],["A1L9B","methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate","C32 H43 N O4","COC(=O)[C]12CCC(C)(C)C[CH]1[CH]3C(=O)C=C4[C](C)(CC[CH]5C(C)(C)C(=O)C(=C[C]45C)C#N)[C]3(C)CC2;CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C","InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20?,22?,24?,29-,30+,31+,32-/m0/s1","CDDO-Me","2025-04-28","2025-10-17","methyl (4~{a}~{S},6~{a}~{R},6~{b}~{S},8~{a}~{R},12~{a}~{S},14~{a}~{R},14~{b}~{S})-11-cyano-2,2,6~{a},6~{b},9,9,12~{a}-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8~{a},14~{a},14~{b}-decahydropicene-4~{a}-carboxylate","2025-10-22"],["ZTA","(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde","C15 H10 O3","O=Cc1c2cc(ccc2ccc1O)c1ccco1;Oc1ccc2ccc(cc2c1C=O)c3occc3;c1cc(oc1)c2ccc3ccc(c(c3c2)C=O)O","InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H","","2023-07-03","2024-09-27","(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde","2023-12-06"],["XMA","(-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE","C27 H29 Cl N4 O5 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N4CC(=O)N3CC6(OC3(COC)C4)CCN(c5ccncc5)CC6;COC[C]12CN(CC(=O)N1CC3(CCN(CC3)c4ccncc4)O2)[S](=O)(=O)c5ccc6cc(Cl)ccc6c5;COCC12CN(CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl","InChI=1S/C27H29ClN4O5S/c1-36-19-27-18-31(38(34,35)24-5-3-20-14-22(28)4-2-21(20)15-24)16-25(33)32(27)17-26(37-27)8-12-30(13-9-26)23-6-10-29-11-7-23/h2-7,10-11,14-15H,8-9,12-13,16-19H2,1H3/t27-/m0/s1","","2001-03-12","2011-06-04","(8aS)-7-[(6-chloronaphthalen-2-yl)sulfonyl]-8a-(methoxymethyl)-1'-pyridin-4-yltetrahydro-5H-spiro[1,3-oxazolo[3,2-a]pyrazine-2,4'-piperidin]-5-one",""],["A1H0V","1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine","C8 H7 Cl2 N5","NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1;c1c2c(cc(c1Cl)Cl)nc([nH]2)NC(=N)N","InChI=1S/C8H7Cl2N5/c9-3-1-5-6(2-4(3)10)14-8(13-5)15-7(11)12/h1-2H,(H5,11,12,13,14,15)","","2023-12-18","2024-11-15","1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine","2024-11-20"],["A1AOZ","(5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one","C25 H27 F N2 O2","OC1=C(C(c2ccccc2)c2[NH]c3ccc(F)cc3c2C(C)C)C(=O)NC1C(C)C;CC(C)[CH]1NC(=O)C(=C1O)[CH](c2ccccc2)c3[nH]c4ccc(F)cc4c3C(C)C;CC(C)c1c2cc(ccc2[nH]c1C(c3ccccc3)C4=C(C(NC4=O)C(C)C)O)F","InChI=1S/C25H27FN2O2/c1-13(2)19-17-12-16(26)10-11-18(17)27-23(19)20(15-8-6-5-7-9-15)21-24(29)22(14(3)4)28-25(21)30/h5-14,20,22,27,29H,1-4H3,(H,28,30)/t20-,22+/m0/s1","","2024-04-19","2025-02-28","(5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one","2025-03-05"],["G5J","5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine","C11 H18 N5 O14 P3","C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N;CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23;COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O)O","InChI=1S/C11H18N5O14P3/c1-26-31(20,21)29-33(24,25)30-32(22,23)27-2-4-6(17)7(18)10(28-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","2018-05-07","2018-12-14","5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine","2018-12-19"],["A1L9E","ASP2453","C40 H48 F3 N7 O4","COCCCN1CCC(CC1)Oc2nc(N3CCC4(CC3)CN(C4)C(=O)C=C)c5cc(C6CC6)c(c(OCC(F)(F)F)c5n2)c7c(C)ccc8n[nH]cc78;Cc1ccc2c(c1c3c(cc4c(c3OCC(F)(F)F)nc(nc4N5CCC6(CC5)CN(C6)C(=O)C=C)OC7CCN(CC7)CCCOC)C8CC8)c[nH]n2","InChI=1S/C40H48F3N7O4/c1-4-32(51)50-22-39(23-50)12-17-49(18-13-39)37-29-20-28(26-7-8-26)34(33-25(2)6-9-31-30(33)21-44-47-31)36(53-24-40(41,42)43)35(29)45-38(46-37)54-27-10-15-48(16-11-27)14-5-19-52-3/h4,6,9,20-21,26-27H,1,5,7-8,10-19,22-24H2,2-3H3,(H,44,47)","1-[7-[6-cyclopropyl-2-[1-(3-methoxypropyl)piperidin-4-yl]oxy-7-(5-methyl-2~{H}-indazol-4-yl)-8-[2,2,2-tris(fluoranyl)ethoxy]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one","2025-04-30","2026-02-27","1-[7-[6-cyclopropyl-2-[1-(3-methoxypropyl)piperidin-4-yl]oxy-7-(5-methyl-2~{H}-indazol-4-yl)-8-[2,2,2-tris(fluoranyl)ethoxy]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one","2026-03-04"],["XMB","4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE","C28 H34 Cl N5 O5 S2","O=S5(=O)CCN(C(=O)C(NCC2CCN(c1ccncc1)CC2)CNS(=O)(=O)c4cc3ccc(Cl)cc3cc4)CC5;Clc1ccc2cc(ccc2c1)[S](=O)(=O)NC[CH](NCC3CCN(CC3)c4ccncc4)C(=O)N5CC[S](=O)(=O)CC5;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NCC(C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5","InChI=1S/C28H34ClN5O5S2/c29-24-3-1-23-18-26(4-2-22(23)17-24)41(38,39)32-20-27(28(35)34-13-15-40(36,37)16-14-34)31-19-21-7-11-33(12-8-21)25-5-9-30-10-6-25/h1-6,9-10,17-18,21,27,31-32H,7-8,11-16,19-20H2/t27-/m0/s1","","2001-07-25","2011-06-04","6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide",""],["ZTC","(2S)-amino(3,5-dimethoxyphenyl)acetic acid","C10 H13 N O4","COc1cc(cc(OC)c1)C(N)C(=O)O;COc1cc(OC)cc(c1)[CH](N)C(O)=O;COc1cc(cc(c1)OC)C(C(=O)O)N","InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1","","2023-03-30","2024-09-27","(2S)-amino(3,5-dimethoxyphenyl)acetic acid","2023-06-21"],["G5K","1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one","C22 H26 N8 O2 S","O=C(C=C)N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5;C=CC(=O)N1CC[CH](C1)Nc2nc(CN3CCOCC3)cc(Nc4sc5ncccc5n4)n2;C=CC(=O)N1CCC(C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5","InChI=1S/C22H26N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h2-4,6,12,15H,1,5,7-11,13-14H2,(H2,24,25,26,27,28)/t15-/m0/s1","","2013-05-03","2013-08-16","1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one","2013-08-21"],["A1H1B","D-glycero-beta-D-galacto-heptopyranose","C7 H14 O7","OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)O)O)O)O)O)O","InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1","D-glycero-beta-D-galacto-heptose; D-glycero-D-galacto-heptose; D-glycero-galacto-heptose; D-GLYCERO-D-GALACTO-HEPTOPYRANOSE; (2R,3R,4S,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]oxane-2,3,4,5-tetrol","2023-12-21","2024-12-27","(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]oxane-2,3,4,5-tetrol","2025-01-01"],["XMC","4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE","C30 H34 Cl N5 O5 S","O=C(N1CCOCC1)C4N(C(=O)CN(S(=O)(=O)c3cc2ccc(Cl)cc2cc3)C4)CC6CCN(c5ccncc5)CC6;Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3C[CH](N(CC4CCN(CC4)c5ccncc5)C(=O)C3)C(=O)N6CCOCC6;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CC(N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6","InChI=1S/C30H34ClN5O5S/c31-25-3-1-24-18-27(4-2-23(24)17-25)42(39,40)35-20-28(30(38)34-13-15-41-16-14-34)36(29(37)21-35)19-22-7-11-33(12-8-22)26-5-9-32-10-6-26/h1-6,9-10,17-18,22,28H,7-8,11-16,19-21H2/t28-/m1/s1","","2001-08-01","2011-06-04","(6R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-(morpholin-4-ylcarbonyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one",""],["A1L9P","3-[[4-[4-[[(1~{R})-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid","C23 H23 Cl N2 O5 S","C[CH](OC(=O)Nc1c(C)noc1c2ccc(CSCCC(O)=O)cc2)c3ccccc3Cl;Cc1c(c(on1)c2ccc(cc2)CSCCC(=O)O)NC(=O)OC(C)c3ccccc3Cl","InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)/t15-/m1/s1","(R)-KI16425","2025-05-20","2026-05-01","3-[[4-[4-[[(1~{R})-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid","2026-05-06"],["G5L","7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid","C18 H15 N O4","CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2;CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O","InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)","","2020-07-28","2020-12-18","7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid","2020-12-23"],["A1H2E","1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine","C17 H24 N4 O3 P","N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2;c1ccc(cc1)OP(=O)(C(CCCNC(=[NH2+])N)N)Oc2ccccc2","InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1","","2024-01-17","2024-09-27","[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium","2024-01-31"],["ZTD","METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE","C20 H23 N3 O6","O=C(N2C(C(=O)NCc1ccc(C(=O)OC)cc1)CC(O)C2)Cc3onc(c3)C;COC(=O)c1ccc(CNC(=O)[CH]2C[CH](O)CN2C(=O)Cc3onc(C)c3)cc1;Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)C(=O)OC)O","InChI=1S/C20H23N3O6/c1-12-7-16(29-22-12)9-18(25)23-11-15(24)8-17(23)19(26)21-10-13-3-5-14(6-4-13)20(27)28-2/h3-7,15,17,24H,8-11H2,1-2H3,(H,21,26)/t15-,17+/m1/s1","","2011-07-07","2014-09-05","methyl 4-[({(4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolyl}amino)methyl]benzoate",""],["XMD","(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER","C28 H31 Cl N4 O5 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(C(=O)OCC)N(C(=O)C3)CC5CCN(c4ccncc4)CC5;CCOC(=O)[CH]1CN(CC(=O)N1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4;CCOC(=O)C1CN(CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl","InChI=1S/C28H31ClN4O5S/c1-2-38-28(35)26-18-32(39(36,37)25-6-4-21-15-23(29)5-3-22(21)16-25)19-27(34)33(26)17-20-9-13-31(14-10-20)24-7-11-30-12-8-24/h3-8,11-12,15-16,20,26H,2,9-10,13-14,17-19H2,1H3/t26-/m1/s1","","2001-07-25","2011-06-04","ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate",""],["A1IIQ","4-ethyl-2,5-dimethyl-pyrazol-3-amine","C7 H13 N3","CCc1c(C)nn(C)c1N;CCc1c(nn(c1N)C)C","InChI=1S/C7H13N3/c1-4-6-5(2)9-10(3)7(6)8/h4,8H2,1-3H3","","2024-07-18","2025-07-25","4-ethyl-2,5-dimethyl-pyrazol-3-amine","2025-07-30"],["G5M","(2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid","C13 H22 N2 O10 S","C(NC1C(OC(CC(O)=O)C(O)=O)OC(C(O)C1O)CO)(C(CS)N)=O;N[CH](CS)C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CC(O)=O)C(O)=O;C(C1C(C(C(C(O1)OC(CC(=O)O)C(=O)O)NC(=O)C(CS)N)O)O)O","InChI=1S/C13H22N2O10S/c14-4(3-26)11(21)15-8-10(20)9(19)6(2-16)25-13(8)24-5(12(22)23)1-7(17)18/h4-6,8-10,13,16,19-20,26H,1-3,14H2,(H,15,21)(H,17,18)(H,22,23)/t4-,5-,6+,8+,9+,10+,13-/m0/s1","","2018-05-08","2024-09-27","(2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid","2022-04-13"],["A1L9Q","4-azanyl-1-[(2~{R},3~{R},4~{R},5~{R})-3-methoxy-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]pyrimidine-2-thione","C10 H16 N3 O7 P S","CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=S)N;COC1C(C(OC1N2C=CC(=NC2=S)N)COP(=O)(O)O)O","InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(15,16)17)20-9(8)13-3-2-6(11)12-10(13)22/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,22)(H2,15,16,17)/t5-,7-,8-,9-/m1/s1","","2025-05-20","2025-11-07","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-11-12"],["A1H2U","(3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol","C25 H34 N2 O2","C[C]12CCC(C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)Cc5ccccn5)=NO;CC12CCC(=NO)C=C1CCC3C2CCC4(C3CCC4(Cc5ccccn5)O)C","InChI=1S/C25H34N2O2/c1-23-11-8-18(27-29)15-17(23)6-7-20-21(23)9-12-24(2)22(20)10-13-25(24,28)16-19-5-3-4-14-26-19/h3-5,14-15,20-22,28-29H,6-13,16H2,1-2H3/b27-18-/t20-,21+,22+,23+,24+,25-/m1/s1","17beta-Hydroxy-17alpha-picolyl-androst-4-en-(3Z)-one oxime","2024-01-22","2025-05-09","(3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol","2025-05-14"],["ZTE","N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide","C16 H16 N6 O4 S2","NC(=O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1;N[CH](CC(N)=O)C(=O)N[S](=O)(=O)c1cccc(c1)c2sc3c(N)ncnc3c2;c1cc(cc(c1)S(=O)(=O)NC(=O)C(CC(=O)N)N)c2cc3c(s2)c(ncn3)N","InChI=1S/C16H16N6O4S2/c17-10(5-13(18)23)16(24)22-28(25,26)9-3-1-2-8(4-9)12-6-11-14(27-12)15(19)21-7-20-11/h1-4,6-7,10H,5,17H2,(H2,18,23)(H,22,24)(H2,19,20,21)/t10-/m0/s1","","2023-07-04","2024-02-02","N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide","2024-02-07"],["ZTG","(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine","C18 H30 Cl N O4 Si","Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O;CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C;CC(C)[Si](C(C)C)(C(C)C)OC(c1ccc(c(c1)Cl)O)C(C(=O)O)N","InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1","","2023-03-30","2024-09-27","(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine","2023-06-21"],["XME","4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE","C26 H28 Cl N5 O4 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5(C=NO)CCN(c4ccncc4)CC5;ON=CC1(CCN(CC1)c2ccncc2)CN3CCN(CC3=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO","InChI=1S/C26H28ClN5O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)37(35,36)32-14-13-31(25(33)17-32)19-26(18-29-34)7-11-30(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,18,34H,7-8,11-14,17,19H2/b29-18+","","2001-07-25","2011-06-04","4-({4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)-1-pyridin-4-ylpiperidine-4-carbaldehyde oxime",""],["A1H2V","[(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] octadecanoate","C40 H79 O10 P","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38-/m1/s1","(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA\nN-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-glucoside","2024-01-22","2025-01-31","[(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] octadecanoate","2025-02-05"],["A1L9Z","[(1~{S})-4-[2-benzamidoethyl(oxidanyl)amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid","C19 H23 N2 O6 P","ON(CCNC(=O)c1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O;c1ccc(cc1)C(CCC(=O)N(CCNC(=O)c2ccccc2)O)P(=O)(O)O","InChI=1S/C19H23N2O6P/c22-18(12-11-17(28(25,26)27)15-7-3-1-4-8-15)21(24)14-13-20-19(23)16-9-5-2-6-10-16/h1-10,17,24H,11-14H2,(H,20,23)(H2,25,26,27)/t17-/m0/s1","","2025-06-05","2026-05-01","[(1~{S})-4-[2-benzamidoethyl(oxidanyl)amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid","2026-05-06"],["G5N","5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine","C13 H19 N5 O10 S","N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O","InChI=1S/C13H19N5O10S/c14-5(3-8(19)20)11(23)17-29(25,26)27-4-6-9(21)10(22)12(28-6)18-2-1-7(15)16-13(18)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,17,23)(H,19,20)(H2,15,16,24)/t5-,6+,9+,10+,12+/m0/s1","","2018-08-29","2019-12-13","(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid","2019-12-18"],["A1IIR","furan-2-yl(piperazin-1-yl)methanone","C9 H12 N2 O2","O=C(N1CCNCC1)c2occc2;c1cc(oc1)C(=O)N2CCNCC2","InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2","","2024-07-18","2025-12-15","furan-2-yl(piperazin-1-yl)methanone","2025-07-30"],["A1LU9","N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide","C15 H14 N2 O4","CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1;CC(=O)c1ccc(o1)C(=O)Nc2ccc(cc2)NC(=O)C","InChI=1S/C15H14N2O4/c1-9(18)13-7-8-14(21-13)15(20)17-12-5-3-11(4-6-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)","","2023-12-17","2024-11-29","~{N}-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide","2024-12-04"],["XMF","4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE","C26 H29 Cl N4 O4 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5(CCN(c4ccncc4)CC5)CO;OCC1(CCN(CC1)c2ccncc2)CN3CCN(CC3=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO","InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(33)17-31)18-26(19-32)7-11-29(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,32H,7-8,11-14,17-19H2","","2001-07-25","2011-06-04","4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one",""],["A1H2Z","(1~{E})-1-[3-[(2~{R})-1-phenylpropan-2-yl]-2~{H}-1,2,3-oxadiazol-3-ium-5-ylidene]-3-[3-(trifluoromethyl)phenyl]urea","C19 H18 F3 N4 O2","C[CH](Cc1ccccc1)[N+]2=CC(ON2)=NC(=O)Nc3cccc(c3)C(F)(F)F;CC(Cc1ccccc1)[N+]2=CC(=NC(=O)Nc3cccc(c3)C(F)(F)F)ON2","InChI=1S/C19H17F3N4O2/c1-13(10-14-6-3-2-4-7-14)26-12-17(28-25-26)24-18(27)23-16-9-5-8-15(11-16)19(20,21)22/h2-9,11-13H,10H2,1H3,(H-,23,24,25,27)/p+1/t13-/m1/s1","","2024-01-24","2025-10-31","(1~{E})-1-[3-[(2~{R})-1-phenylpropan-2-yl]-2~{H}-1,2,3-oxadiazol-3-ium-5-ylidene]-3-[3-(trifluoromethyl)phenyl]urea","2025-11-05"],["G5O","2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid","C20 H14 Cl N O5 S","OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3;c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl","InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)","","2020-07-28","2020-12-18","2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid","2020-12-23"],["ZTH","(S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE","C8 H13 N2 O7 P","O=P(O)(O)OCC(O)CN1C=C(C(=O)NC1=O)C;CC1=CN(C[CH](O)CO[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(COP(=O)(O)O)O","InChI=1S/C8H13N2O7P/c1-5-2-10(8(13)9-7(5)12)3-6(11)4-17-18(14,15)16/h2,6,11H,3-4H2,1H3,(H,9,12,13)(H2,14,15,16)/t6-/m0/s1","","2008-03-28","2022-06-13","(2S)-2-hydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl dihydrogen phosphate",""],["A1LVF","2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate","C57 H104 O6","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-","Glyceryl trioleate","2023-12-20","2025-10-31","2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propyl (~{Z})-octadec-9-enoate","2025-11-05"],["A1H3U","1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol","C19 H21 N5 O2","OC1CCN(CC1)Cc2ccc(Oc3ccc(cn3)c4[nH]ncc4)cn2;c1cc(ncc1c2ccn[nH]2)Oc3ccc(nc3)CN4CCC(CC4)O","InChI=1S/C19H21N5O2/c25-16-6-9-24(10-7-16)13-15-2-3-17(12-20-15)26-19-4-1-14(11-21-19)18-5-8-22-23-18/h1-5,8,11-12,16,25H,6-7,9-10,13H2,(H,22,23)","LIPID FRAGMENT","2024-02-06","2024-03-15","1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol","2024-03-20"],["G5P","P1-(5'-ADENOSYL)-P5-(5'-GUANOSYL) PENTAPHOSPHATE","C20 H29 N10 O23 P5","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N","InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","","2005-12-15","2011-06-04","[[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["XMG","4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID","C26 H29 Cl N4 O4 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)O)N(CC4CCN(c3ccncc3)CC4)CC5;OC(=O)[CH]1CN(CCN1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(C(C3)C(=O)O)CC4CCN(CC4)c5ccncc5","InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)/t25-/m0/s1","","2001-07-25","2011-06-04","(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid",""],["ZTI","4-pyridin-2-yl-1,3-thiazol-2-amine","C8 H7 N3 S","Nc1scc(n1)c2ccccn2;c1ccnc(c1)c2csc(n2)N","InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H,(H2,9,11)","","2023-07-04","2023-08-18","4-pyridin-2-yl-1,3-thiazol-2-amine","2023-08-23"],["XMH","4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER","C28 H33 Cl N4 O4 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)OCC)N(CC4CCN(c3ccncc3)CC4)CC5;CCOC(=O)[CH]1CN(CCN1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4;CCOC(=O)C1CN(CCN1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl","InChI=1S/C28H33ClN4O4S/c1-2-37-28(34)27-20-33(38(35,36)26-6-4-22-17-24(29)5-3-23(22)18-26)16-15-32(27)19-21-9-13-31(14-10-21)25-7-11-30-12-8-25/h3-8,11-12,17-18,21,27H,2,9-10,13-16,19-20H2,1H3/t27-/m1/s1","","2001-07-25","2011-06-04","ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate",""],["ZTK","(2S)-2-amino-3-cyanopropanoic acid","C4 H6 N2 O2","N#CCC(N)C(=O)O;N[CH](CC#N)C(O)=O;C(C#N)C(C(=O)O)N","InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1","","2023-03-30","2024-09-27","(2S)-2-amino-3-cyanopropanoic acid","2023-06-21"],["A1LVR","QO-58","C18 H8 Cl2 F4 N4 O","Fc1cc(c(Cl)nc1Cl)C2=CC(=O)n3nc(c(c3N2)c4ccccc4)C(F)(F)F;c1ccc(cc1)c2c(nn3c2NC(=CC3=O)c4cc(c(nc4Cl)Cl)F)C(F)(F)F","InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,25H","5-[2,6-bis(chloranyl)-5-fluoranyl-pyridin-3-yl]-3-phenyl-2-(trifluoromethyl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one","2024-01-05","2026-01-16","5-[2,6-bis(chloranyl)-5-fluoranyl-pyridin-3-yl]-3-phenyl-2-(trifluoromethyl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one","2026-01-21"],["A1H4A","8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid","C35 H37 F3 N6 O7 S","Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[CH]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O;Cc1ccc(cc1C(F)(F)F)c2cc(cn3c2nc(c3)C(=O)N4CCN(CCC4C(=O)NCCN5CCOCC5)S(=O)(=O)c6ccccc6)C(=O)O","InChI=1S/C35H37F3N6O7S/c1-23-7-8-24(20-28(23)35(36,37)38)27-19-25(34(47)48)21-42-22-29(40-31(27)42)33(46)44-14-13-43(52(49,50)26-5-3-2-4-6-26)11-9-30(44)32(45)39-10-12-41-15-17-51-18-16-41/h2-8,19-22,30H,9-18H2,1H3,(H,39,45)(H,47,48)/t30-/m0/s1","LIPID FRAGMENT","2024-02-13","2024-09-27","8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7~{S})-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid","2024-05-22"],["G5Q","5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine","C14 H20 N4 O11 S","CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(O)=O)[CH](O)[CH]2O)C1=O;CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O","InChI=1S/C14H20N4O11S/c1-17-8(19)2-3-18(14(17)25)13-11(23)10(22)7(29-13)5-28-30(26,27)16-12(24)6(15)4-9(20)21/h2-3,6-7,10-11,13,22-23H,4-5,15H2,1H3,(H,16,24)(H,20,21)/t6-,7+,10+,11+,13+/m0/s1","","2018-08-29","2019-12-13","(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid","2019-12-18"],["A1IIY","4-[7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxamide","C21 H21 Cl2 N9 O4","CN1C(=O)N(C)c2nc(N3CCN(CC3)C(N)=O)n(Cc4oc(nn4)c5ccc(Cl)c(Cl)c5)c2C1=O;CN1c2c(n(c(n2)N3CCN(CC3)C(=O)N)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C","InChI=1S/C21H21Cl2N9O4/c1-28-16-15(18(33)29(2)21(28)35)32(20(25-16)31-7-5-30(6-8-31)19(24)34)10-14-26-27-17(36-14)11-3-4-12(22)13(23)9-11/h3-4,9H,5-8,10H2,1-2H3,(H2,24,34)","","2024-07-24","2026-01-30","4-[7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxamide","2026-02-04"],["A1IIZ","2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide","C23 H27 N9 O7","CCCNC(=O)[CH](CNC(=O)CN1C=C(C(N)=O)C(=O)NC1=O)NC(=O)CCc2onc(n2)c3cccnc3;CCCNC(=O)C(CNC(=O)CN1C=C(C(=O)NC1=O)C(=O)N)NC(=O)CCc2nc(no2)c3cccnc3","InChI=1S/C23H27N9O7/c1-2-7-26-22(37)15(10-27-17(34)12-32-11-14(19(24)35)21(36)30-23(32)38)28-16(33)5-6-18-29-20(31-39-18)13-4-3-8-25-9-13/h3-4,8-9,11,15H,2,5-7,10,12H2,1H3,(H2,24,35)(H,26,37)(H,27,34)(H,28,33)(H,30,36,38)/t15-/m0/s1","","2024-07-26","2024-08-09","2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2~{S})-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide","2024-08-14"],["A1H4E","4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one","C16 H22 F3 N3 O2","C[CH]1COCCN1C2=CC(=O)N=C(C2)N3CCCC[CH]3C(F)(F)F;CC1COCCN1C2=CC(=O)N=C(C2)N3CCCCC3C(F)(F)F","InChI=1S/C16H22F3N3O2/c1-11-10-24-7-6-21(11)12-8-14(20-15(23)9-12)22-5-3-2-4-13(22)16(17,18)19/h9,11,13H,2-8,10H2,1H3/t11-,13-/m1/s1","","2024-02-13","2024-03-15","4-[(3~{R})-3-methylmorpholin-4-yl]-2-[(2~{R})-2-(trifluoromethyl)piperidin-1-yl]-3~{H}-pyridin-6-one","2024-03-20"],["ZTL","(1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide","C24 H34 N2 O","O=C(NC1CCC(CC1)CN)C1C2CC3CC1CC(C3)(C2)c1ccccc1;NC[CH]1CC[CH](CC1)NC(=O)[CH]2[CH]3CC4C[CH]2CC(C4)(C3)c5ccccc5;c1ccc(cc1)C23CC4CC(C2)C(C(C4)C3)C(=O)NC5CCC(CC5)CN","InChI=1S/C24H34N2O/c25-15-16-6-8-21(9-7-16)26-23(27)22-18-10-17-11-19(22)14-24(12-17,13-18)20-4-2-1-3-5-20/h1-5,16-19,21-22H,6-15,25H2,(H,26,27)/t16-,17-,18-,19+,21-,22-,24-","","2023-07-04","2023-08-04","(1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide","2023-08-09"],["XMI","4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE","C25 H27 Cl N4 O3 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5CCN(c4ccncc4)CC5;Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN(CC4CCN(CC4)c5ccncc5)C(=O)C3;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5","InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-16-24(4-2-20(21)15-22)34(32,33)30-14-13-29(25(31)18-30)17-19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,15-16,19H,7-8,11-14,17-18H2","","2001-07-25","2011-06-04","4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one",""],["G5R","1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea","C27 H41 N5 O4","COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)NCCCn4cncc4C;Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4","InChI=1S/C27H41N5O4/c1-22-19-28-21-31(22)11-5-10-29-27(33)32(20-23-6-3-4-7-23)24-8-9-25(26(18-24)34-2)36-17-14-30-12-15-35-16-13-30/h8-9,18-19,21,23H,3-7,10-17,20H2,1-2H3,(H,29,33)","","2020-07-28","2021-12-17","1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea","2021-12-22"],["A1LWA","(3~{R},4~{S},5~{R})-4-[2,4-bis(chloranyl)-3-phenylmethoxy-phenyl]carbonyl-1-ethyl-5-methyl-3-oxidanyl-pyrrolidin-2-one","C21 H21 Cl2 N O4","CCN1[CH](C)[CH]([CH](O)C1=O)C(=O)c2ccc(Cl)c(OCc3ccccc3)c2Cl;CCN1C(C(C(C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3ccccc3)Cl)C","InChI=1S/C21H21Cl2NO4/c1-3-24-12(2)16(19(26)21(24)27)18(25)14-9-10-15(22)20(17(14)23)28-11-13-7-5-4-6-8-13/h4-10,12,16,19,26H,3,11H2,1-2H3/t12-,16-,19-/m1/s1","","2024-01-12","2024-12-27","(3~{R},4~{S},5~{R})-4-[2,4-bis(chloranyl)-3-phenylmethoxy-phenyl]carbonyl-1-ethyl-5-methyl-3-oxidanyl-pyrrolidin-2-one","2025-01-01"],["XMJ","4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE","C23 H27 Cl N4 O3 S","Clc1ccc(cc1)C=CS(=O)(=O)N2CC(=O)N(CC2)CC4CCN(c3ccncc3)CC4;Clc1ccc(cc1)C=C[S](=O)(=O)N2CCN(CC3CCN(CC3)c4ccncc4)C(=O)C2;c1cc(ccc1C=CS(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl","InChI=1S/C23H27ClN4O3S/c24-21-3-1-19(2-4-21)9-16-32(30,31)28-15-14-27(23(29)18-28)17-20-7-12-26(13-8-20)22-5-10-25-11-6-22/h1-6,9-11,16,20H,7-8,12-15,17-18H2/b16-9+","","2001-07-27","2011-06-04","4-{[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl}-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one",""],["A1LWB"," 4-farnesyl-3,5-dihydroxy-6-methylphthalide","C24 H32 O4","CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O;Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C(=O)OC2","InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3","4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one","2024-01-15","2024-08-23","4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one","2024-08-28"],["A1IJ8","NVL-655","C23 H22 Cl F N6 O","CCn1nc(Cl)c2Cc3cn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12;CCn1c-2c(c(n1)Cl)Cc3cn(nc3-c4ccc(cc4C(Oc5cc2cnc5N)C)F)C","InChI=1S/C23H22ClFN6O/c1-4-31-21-13-8-19(23(26)27-10-13)32-12(2)17-9-15(25)5-6-16(17)20-14(11-30(3)28-20)7-18(21)22(24)29-31/h5-6,8-12H,4,7H2,1-3H3,(H2,26,27)/t12-/m1/s1","(14R)-5-Chloro-7-ethyl-16-fluoro-2,14-dihydro-2,14-dimethyl-7H-8,12-metheno-4H-dipyrazolo[3,4-h:4',3'-k][2,5]benzoxaazacyclotetradecin-11-amine; 7H-8,12-Metheno-4H-dipyrazolo[3,4-h:4',3'-k][2,5]benzoxaazacyclotetradecin- 11-amine, 5-chloro-7-ethyl-16-fluoro-2,14-dihydro- 2,14-dimethyl-, (14R)-","2024-08-06","2024-09-13","","2024-09-18"],["ZTM","Actinium Ion","Ac","[Ac+3];[Ac+3]","InChI=1S/Ac/q+3","","2023-12-01","2024-09-20","actinium(3+)","2024-09-25"],["A1H4Y","(6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline","C28 H37 N5 O","CCCCC[CH]1CCc2nc(c(c3[nH]nnn3)c(c2C1)c4ccccc4)C5(CCCC5)COC;CCCCCC1CCc2c(c(c(c(n2)C3(CCCC3)COC)c4[nH]nnn4)c5ccccc5)C1","InChI=1S/C28H37N5O/c1-3-4-6-11-20-14-15-23-22(18-20)24(21-12-7-5-8-13-21)25(27-30-32-33-31-27)26(29-23)28(19-34-2)16-9-10-17-28/h5,7-8,12-13,20H,3-4,6,9-11,14-19H2,1-2H3,(H,30,31,32,33)/t20-/m0/s1","","2024-02-19","2024-03-01","(6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline","2024-03-06"],["G5T","3-(6-morpholin-4-ylpyridin-2-yl)phenol","C15 H16 N2 O2","Oc1cccc(c1)c2cccc(n2)N3CCOCC3;c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3","InChI=1S/C15H16N2O2/c18-13-4-1-3-12(11-13)14-5-2-6-15(16-14)17-7-9-19-10-8-17/h1-6,11,18H,7-10H2","","2018-08-29","2019-09-06","3-(6-morpholin-4-ylpyridin-2-yl)phenol","2019-09-11"],["A1IJB","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","C21 H27 N10 O9 P S","CSC[CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)n5cnc6c(N)ncnc56;CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C21H27N10O9PS/c1-42-3-9-15(14(34)21(39-9)31-7-29-11-17(23)25-5-27-19(11)31)40-41(35,36)37-2-8-12(32)13(33)20(38-8)30-6-28-10-16(22)24-4-26-18(10)30/h4-9,12-15,20-21,32-34H,2-3H2,1H3,(H,35,36)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1","","2024-07-29","2025-06-27","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","2025-07-02"],["ZTN","2,3-bis(fluoranyl)phenol","C6 H4 F2 O","Oc1cccc(F)c1F;c1cc(c(c(c1)F)F)O","InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H","","2016-10-31","2017-07-07","2,3-bis(fluoranyl)phenol","2017-07-12"],["A1H69","[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","C21 H35 N O4 S","CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](N)(=O)=O;CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)N)C)C","InChI=1S/C21H35NO4S/c1-13(23)17-6-7-18-16-5-4-14-12-15(26-27(22,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H2,22,24,25)/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1","","2024-03-28","2024-04-05","[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["G5U","N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide","C27 H42 N6 O3","CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1;CCC(=O)Nc1nc(NC2CCN(CC2)C(C)C)c3cc(OC)c(OCCCN4CCCC4)cc3n1;CCC(=O)Nc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C(C)C)OC)OCCCN4CCCC4","InChI=1S/C27H42N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h17-20H,5-16H2,1-4H3,(H2,28,29,30,31,34)","","2021-12-16","2024-09-27","N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide","2022-07-06"],["XMK","1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE","C23 H29 Cl N4 O2 S","Clc1ccc(cc1)C=CS(=O)(=O)N4CCN(CC3CCN(c2ccncc2)CC3)CC4;Clc1ccc(cc1)C=C[S](=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4;c1cc(ccc1C=CS(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl","InChI=1S/C23H29ClN4O2S/c24-22-3-1-20(2-4-22)9-18-31(29,30)28-16-14-26(15-17-28)19-21-7-12-27(13-8-21)23-5-10-25-11-6-23/h1-6,9-11,18,21H,7-8,12-17,19H2/b18-9+","","2001-07-27","2011-06-04","1-{[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl}-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine",""],["A1H6O","(2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[cis-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C37 H52 F N5 O5 S2","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)SCC4CCC(CC4)CN5CCOCC5)NC(=O)C6(CC6)F)O","InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27+,29-,30+,32-/m1/s1","","2024-03-26","2024-08-23","(2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2024-08-28"],["XML","5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol","C15 H13 F N4 O","Fc1ccc(CNc2ncccc2c2c[NH]cn2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3c[nH]cn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3c[nH]cn3","InChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["ZTO","N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide","C23 H19 F N2 O3","COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O;COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2;COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F","InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1","","2023-03-31","2024-09-27","N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide","2024-03-27"],["G5V","5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid","C7 H6 O5","O=C(O)C1=C(OC=C(C1=O)O)C;CC1=C(C(O)=O)C(=O)C(=CO1)O;CC1=C(C(=O)C(=CO1)O)C(=O)O","InChI=1S/C7H6O5/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,8H,1H3,(H,10,11)","","2018-05-09","2018-11-02","5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid","2018-11-07"],["XMM","5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside","C14 H15 Br Cl N O6","Brc3ccc2c(c(OC1OC(C(O)C(O)C1O)CO)cn2)c3Cl;OC[CH]1O[CH](Oc2c[nH]c3ccc(Br)c(Cl)c23)[CH](O)[CH](O)[CH]1O;c1cc(c(c2c1[nH]cc2OC3C(C(C(C(O3)CO)O)O)O)Cl)Br","InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1","(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL;\n(5-BROMO-4-CHLORO-3-INDOLYL)-Alpha-D-MANNOSE; 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannoside;\n5-bromo-4-chloro-1H-indol-3-yl D-mannoside; 5-bromo-4-chloro-1H-indol-3-yl mannoside","2005-04-26","2020-07-17","5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside",""],["G5W","(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide","C15 H17 N3 O3 S","COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N","InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1","","2018-08-29","2019-02-15","(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide","2019-02-20"],["ZTP","(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate","C40 H68 O7 P2","O=P(O)(O)OP(=O)(OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C","InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19-,35-21-,36-23-,37-25-,38-27-,39-29-,40-31-","","2011-08-31","2011-10-07","(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate",""],["A1H6V","(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol","C19 H16 N6 O S","O[CH](c1cn(nn1)c2ccc3[nH]ccc3c2)c4n5cncc5sc4C6CC6;c1cc2c(cc[nH]2)cc1n3cc(nn3)C(c4c(sc5n4cnc5)C6CC6)O","InChI=1S/C19H16N6OS/c26-18(17-19(11-1-2-11)27-16-8-20-10-24(16)17)15-9-25(23-22-15)13-3-4-14-12(7-13)5-6-21-14/h3-11,18,21,26H,1-2H2/t18-/m1/s1","","2024-03-26","2025-02-28","(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol","2025-03-05"],["XMN","3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C22 H24 F N3 O4","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(CNC(=O)[CH](N)CO)c(F)c3;CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CNC(=O)C(CO)N)C(=O)O","InChI=1S/C22H24FN3O4/c1-11(2)14-4-3-5-15-18(20(22(29)30)26-19(14)15)12-6-7-13(16(23)8-12)9-25-21(28)17(24)10-27/h3-8,11,17,26-27H,9-10,24H2,1-2H3,(H,25,28)(H,29,30)/t17-/m0/s1","","2023-06-08","2024-06-21","3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["A1IJQ","8-azanylquinoline-2-carboxylic acid","C10 H8 N2 O2","Nc1cccc2ccc(nc12)C(O)=O;c1cc2ccc(nc2c(c1)N)C(=O)O","InChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)","","2024-08-01","2025-08-01","8-azanylquinoline-2-carboxylic acid","2025-08-06"],["ZTQ","(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid","C15 H14 O3","CC(Oc1ccc(cc1)c1ccccc1)C(=O)O;C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)c2ccccc2","InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1","","2023-07-05","2023-07-21","(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid","2023-07-26"],["G5X","1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide","C21 H21 N5 O2","NC(=O)c1cn(c2ccnc(N)n2)c3cc(ccc13)C#CC4(O)CCCCC4;c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N","InChI=1S/C21H21N5O2/c22-19(27)16-13-26(18-7-11-24-20(23)25-18)17-12-14(4-5-15(16)17)6-10-21(28)8-2-1-3-9-21/h4-5,7,11-13,28H,1-3,8-9H2,(H2,22,27)(H2,23,24,25)","","2020-07-30","2021-07-23","1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide","2021-07-28"],["ZTR","[2-(aminomethyl)phenyl]acetic acid","C9 H11 N O2","NCc1ccccc1CC(=O)O;NCc1ccccc1CC(O)=O;c1ccc(c(c1)CC(=O)O)CN","InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)","","2024-03-05","2024-08-15","[2-(aminomethyl)phenyl]acetic acid",""],["XMO","N-hydroxy-5'-O-(2-methylpropanoyl)cytidine","C13 H19 N3 O7","CC(C)C(=O)OCC1OC(N2C=CC(=NC2=O)NO)C(O)C1O;CC(C)C(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)NO;CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)NO)O)O","InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1","Molnupiravir","2023-08-30","2024-03-08","N-hydroxy-5'-O-(2-methylpropanoyl)cytidine","2024-03-13"],["G5Y","3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid","C6 H4 O5","O=C(O)C=1OC=CC(C=1O)=O;OC(=O)C1=C(O)C(=O)C=CO1;C1=COC(=C(C1=O)O)C(=O)O","InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10)","","2018-05-09","2018-11-02","3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid","2018-11-07"],["XMP","XANTHOSINE-5'-MONOPHOSPHATE","C10 H14 N4 O9 P","O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2c[nH+]c3C(=O)NC(=O)Nc23;c1[nH+]c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O","InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1","5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE","1999-07-12","2021-03-01","5'-xanthylic acid",""],["G5Z","(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide","C13 H14 N4 O2 S","C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N","InChI=1S/C13H14N4O2S/c1-7(14)12(19)17-13-16-10(8(2)18)11(20-13)9-4-3-5-15-6-9/h3-7H,14H2,1-2H3,(H,16,17,19)/t7-/m1/s1","","2018-08-29","2019-02-15","(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide","2019-02-20"],["ZTS","[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid","C10 H13 N2 O8 P","Oc1c(CNC(=O)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNC(=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=O)C(=O)O)O","InChI=1S/C10H13N2O8P/c1-5-8(13)7(3-12-9(14)10(15)16)6(2-11-5)4-20-21(17,18)19/h2,13H,3-4H2,1H3,(H,12,14)(H,15,16)(H2,17,18,19)","","2023-04-03","2023-04-07","[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid","2023-04-12"],["A1IJS","methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate","C11 H12 N2 O3","COC(=O)C[CH]1N(C)C(=O)c2ncccc12;CN1C(c2cccnc2C1=O)CC(=O)OC","InChI=1S/C11H12N2O3/c1-13-8(6-9(14)16-2)7-4-3-5-12-10(7)11(13)15/h3-5,8H,6H2,1-2H3/t8-/m0/s1","","2024-08-01","2025-06-06","methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate","2025-06-11"],["ZTT","(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one","C26 H28 N2 O4","C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12;CC1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN(C(=O)C4C)C","InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3","(1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)","2023-07-25","2023-11-03","(1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one","2023-11-08"],["XMQ","2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide","C20 H29 Cl2 N5 O2 S","Clc1cc(cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C)CCCN3CCN(C)CC3;CN1CCN(CCCc2cc(Cl)c(c(Cl)c2)[S](=O)(=O)Nc3c(C)nn(C)c3C)CC1;Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl","InChI=1S/C20H29Cl2N5O2S/c1-14-19(15(2)26(4)23-14)24-30(28,29)20-17(21)12-16(13-18(20)22)6-5-7-27-10-8-25(3)9-11-27/h12-13,24H,5-11H2,1-4H3","","2014-08-12","2014-11-28","2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide","2014-12-03"],["G60","2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine","C11 H13 Cl N2","Cc1[nH]c2ccc(Cl)cc2c1CCN;Cc1c(c2cc(ccc2[nH]1)Cl)CCN","InChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3","","2020-07-30","2021-09-10","2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)ethanamine","2021-09-15"],["A1IJV","2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid","C20 H16 F3 N3 O6","COc1ccc(cc1OC)N2N=C(C(O)=O)C(=O)N(Cc3cccc(c3)C(F)(F)F)C2=O;COc1ccc(cc1OC)N2C(=O)N(C(=O)C(=N2)C(=O)O)Cc3cccc(c3)C(F)(F)F","InChI=1S/C20H16F3N3O6/c1-31-14-7-6-13(9-15(14)32-2)26-19(30)25(17(27)16(24-26)18(28)29)10-11-4-3-5-12(8-11)20(21,22)23/h3-9H,10H2,1-2H3,(H,28,29)","","2024-08-01","2025-12-15","2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid","2024-11-27"],["XMR","5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol","C15 H12 F N3 O2","Fc1ccc(CNc2ncccc2c2cocn2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3cocn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3cocn3","InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["ZTV","(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine","C21 H26 N6 O2","CC1COCCN1c1cc(nc2nc([NH]c21)c1ccccn1)N1CCOCC1C;C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4[nH]c(nc4n2)c5ccccn5;CC1COCCN1c2cc(nc3c2[nH]c(n3)c4ccccn4)N5CCOCC5C","InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1","","2023-04-03","2023-07-14","(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine","2023-07-19"],["G61","tert-butyl [(2S,3R)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","C34 H46 N2 O8 S","O(C)c1ccc(cc1)S(=O)(=O)N(CC(C(Cc2cc(ccc2)c3cc(cc(c3)OC)OC)NC(=O)OC(C)(C)C)O)CC(C)C;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2cccc(c2)c3cc(OC)cc(OC)c3)NC(=O)OC(C)(C)C;CC(C)CN(CC(C(Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC","InChI=1S/C34H46N2O8S/c1-23(2)21-36(45(39,40)30-14-12-27(41-6)13-15-30)22-32(37)31(35-33(38)44-34(3,4)5)17-24-10-9-11-25(16-24)26-18-28(42-7)20-29(19-26)43-8/h9-16,18-20,23,31-32,37H,17,21-22H2,1-8H3,(H,35,38)/t31-,32+/m0/s1","","2015-05-04","2015-07-10","tert-butyl [(2S,3R)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","2015-07-15"],["A1IJY","(2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","C22 H27 N3 O8","C[CH](N[CH]([CH]1CCCN1C(=O)c2ccc(cc2)C(O)=O)C(O)=O)C(=O)N3CCC[CH]3C(O)=O;CC(C(=O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)c3ccc(cc3)C(=O)O)C(=O)O","InChI=1S/C22H27N3O8/c1-12(18(26)25-11-3-5-16(25)21(30)31)23-17(22(32)33)15-4-2-10-24(15)19(27)13-6-8-14(9-7-13)20(28)29/h6-9,12,15-17,23H,2-5,10-11H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t12-,15-,16-,17-/m0/s1","","2024-08-03","2025-01-17","(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","2025-01-22"],["XMS","(3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid","C16 H14 Cl N3 O2","Cn1nnc2cc(ccc12)[CH](CC(O)=O)c3ccc(Cl)cc3;Cn1c2ccc(cc2nn1)C(CC(=O)O)c3ccc(cc3)Cl","InChI=1S/C16H14ClN3O2/c1-20-15-7-4-11(8-14(15)18-19-20)13(9-16(21)22)10-2-5-12(17)6-3-10/h2-8,13H,9H2,1H3,(H,21,22)/t13-/m0/s1","","2015-11-17","2016-04-08","(3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid","2016-04-13"],["G62","3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol","C17 H17 N O2","Oc1cccc(c1)c2cccc(n2)[C]34CCOC[CH]3C4;c1cc(cc(c1)O)c2cccc(n2)C34CCOCC3C4","InChI=1S/C17H17NO2/c19-14-4-1-3-12(9-14)15-5-2-6-16(18-15)17-7-8-20-11-13(17)10-17/h1-6,9,13,19H,7-8,10-11H2/t13-,17+/m1/s1","","2018-08-29","2019-09-06","3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol","2019-09-11"],["ZTW","RALOXIFENE CORE","C14 H10 O2 S","Oc3ccc(c2sc1cc(O)ccc1c2)cc3;Oc1ccc(cc1)c2sc3cc(O)ccc3c2;c1cc(ccc1c2cc3ccc(cc3s2)O)O","InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H","","2002-03-22","2011-06-04","2-(4-hydroxyphenyl)-1-benzothiophene-6-ol",""],["A1IJZ","(2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","C23 H32 N4 O6","C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)Cc2ccccc2)C(O)=O)C(=O)N3CCC[CH]3C(O)=O;CC(C(=O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)C(Cc3ccccc3)N)C(=O)O","InChI=1S/C23H32N4O6/c1-14(20(28)27-12-6-10-18(27)22(30)31)25-19(23(32)33)17-9-5-11-26(17)21(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,25H,5-6,9-13,24H2,1H3,(H,30,31)(H,32,33)/t14-,16-,17-,18-,19-/m0/s1","","2024-08-03","2025-01-17","(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","2025-01-22"],["ZTX","2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE","C24 H26 N6 O2","O=C2c5ccccc5N(c1nc(ncc1N2C)Nc3ccc(cc3)N4CCC(O)CC4)C;CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CCC(O)CC5)ncc13;CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C","InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)","","2011-07-13","2012-01-27","2-{[4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",""],["G63"," mannose-alpha-1,3-2-aminodeoxymannojirimycin","C6 H14 N2 O3","N[CH]1CN[CH](CO)[CH](O)[CH]1O;C1C(C(C(C(N1)CO)O)O)N","InChI=1S/C6H14N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6-/m1/s1","","2017-12-15","2018-03-16","(2~{R},3~{R},4~{R},5~{R})-5-azanyl-2-(hydroxymethyl)piperidine-3,4-diol","2018-03-21"],["A1IKA","[(S)-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid","C16 H14 N O5 P S","Oc1ccccc1[CH](NC(=O)c2sc3ccccc3c2)[P](O)(O)=O;c1ccc2c(c1)cc(s2)C(=O)NC(c3ccccc3O)P(=O)(O)O","InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1","((Benzo[b]thiophene-2-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid","2024-08-06","2025-04-25","[(~{S})-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid","2025-04-30"],["XMU","7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid","C29 H31 N5 O4","C[CH](NC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(CN5CCOCC5)nc4;CC(c1cccc2c1[nH]c(c2c3ccc(nc3)CN4CCOCC4)C(=O)O)NC(=O)c5ccc(cc5)CN","InChI=1S/C29H31N5O4/c1-18(32-28(35)20-7-5-19(15-30)6-8-20)23-3-2-4-24-25(27(29(36)37)33-26(23)24)21-9-10-22(31-16-21)17-34-11-13-38-14-12-34/h2-10,16,18,33H,11-15,17,30H2,1H3,(H,32,35)(H,36,37)/t18-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["ZTY","(1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one","C29 H34 N2 O4","C[CH]1C(=O)N(C)C=Cc2cc(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12;CC1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c3)C=CN(C(=O)C4C)C","InChI=1S/C29H34N2O4/c1-20-26-10-8-24(18-22(26)12-14-30(3)28(20)32)34-16-6-5-7-17-35-25-9-11-27-21(2)29(33)31(4)15-13-23(27)19-25/h8-15,18-21H,5-7,16-17H2,1-4H3/t20-,21-/m1/s1","(1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)","2023-07-25","2023-09-29","(1~{R})-7-[5-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one","2023-10-04"],["XMV","4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile","C27 H28 F3 N5 O2","C1N(C(CCCC)CN(C1=O)c2cc(OC(F)(F)F)ccc2)Cc3cncn3Cc4ccc(cc4)C#N;CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)C#N)c4cccc(OC(F)(F)F)c4;CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)C#N)c4cccc(c4)OC(F)(F)F","InChI=1S/C27H28F3N5O2/c1-2-3-5-23-17-35(22-6-4-7-25(12-22)37-27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4,6-12,14,19,23H,2-3,5,15-18H2,1H3/t23-/m0/s1","","2020-12-21","2022-11-04","4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile","2022-11-09"],["A1IKB","5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid","C21 H24 N4 O4","ONC(=O)CCCCCCCNc1nc2cc(ccc2c3cnccc13)C(O)=O;c1cc2c(cc1C(=O)O)nc(c3c2cncc3)NCCCCCCCC(=O)NO","InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28)","5-[[8-(hydroxyamino)-8-oxooctyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid","2024-08-06","2025-07-25","5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid","2025-07-30"],["G64","N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide","C37 H46 N4 O7 S","c4(ccc(S(=O)(N(CC(O)C(NC(=O)c1cc(C)cc(c1)C(=O)N(C)Cc2nc(oc2C)C)Cc3ccccc3)CC(C)C)=O)cc4)OC;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cc(C)cc(c3)C(=O)N(C)Cc4nc(C)oc4C;Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)NC(Cc3ccccc3)C(CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O","InChI=1S/C37H46N4O7S/c1-24(2)21-41(49(45,46)32-15-13-31(47-7)14-16-32)23-35(42)33(19-28-11-9-8-10-12-28)39-36(43)29-17-25(3)18-30(20-29)37(44)40(6)22-34-26(4)48-27(5)38-34/h8-18,20,24,33,35,42H,19,21-23H2,1-7H3,(H,39,43)/t33-,35+/m0/s1","","2015-04-28","2015-07-10","N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide","2015-07-15"],["XMW","N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine","C16 H10 N4 O2 S2","s1c2cc3OCOc3cc2nc1Nc1nc(cs1)c1ccccn1;C1Oc2cc3sc(Nc4scc(n4)c5ccccn5)nc3cc2O1;c1ccnc(c1)c2csc(n2)Nc3nc4cc5c(cc4s3)OCO5","InChI=1S/C16H10N4O2S2/c1-2-4-17-9(3-1)11-7-23-15(19-11)20-16-18-10-5-12-13(22-8-21-12)6-14(10)24-16/h1-7H,8H2,(H,18,19,20)","","2023-11-03","2025-06-27","N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine","2025-07-02"],["ZU0","O-tert-butyl-L-threonine","C8 H17 N O3","O=C(O)C(N)C(OC(C)(C)C)C;C[CH](OC(C)(C)C)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC(C)(C)C","InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1","","2008-12-10","2024-09-27","O-tert-butyl-L-threonine",""],["G65","Masitinib","C28 H30 N6 O S","CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3;Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)","","2016-12-21","2017-11-17","4-[(4-methylpiperazin-1-yl)methyl]-~{N}-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide","2017-11-22"],["XMX","5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol","C15 H12 F N3 O2","Fc1ccc(CNc2ncccc2c2ccon2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3ccon3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3ccon3","InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["A1IKF","N-(2-(2-(2-acetamidoethoxy)ethoxy)ethyl)-3-(N-(1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzamide","C33 H41 N5 O9 S","CCCOc1cccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(C)=O)c1;CCCOc1cccc(c1)Oc2cc3c(cc2NS(=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(=O)C)N(C(=O)N3C)C","InChI=1S/C33H41N5O9S/c1-5-14-46-25-9-7-10-26(20-25)47-31-22-30-29(37(3)33(41)38(30)4)21-28(31)36-48(42,43)27-11-6-8-24(19-27)32(40)35-13-16-45-18-17-44-15-12-34-23(2)39/h6-11,19-22,36H,5,12-18H2,1-4H3,(H,34,39)(H,35,40)","","2024-08-07","2025-08-08","~{N}-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[[1,3-dimethyl-2-oxidanylidene-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzamide","2025-08-13"],["G67","(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide","C37 H41 N9 O3 S","O=C(N1CCC(=CC1)c3ccc(c2nn(C)cn2)cc3)CN4CC(CC4)(SC)C(=O)Nc5cc6c(cc5)nnc6c7cnc(cc7)OC(C)C;CS[C]1(CCN(CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncn(C)n4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(OC(C)C)nc7)c6c5;CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC","InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1","","2018-05-09","2018-08-03","(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide","2018-08-08"],["ZU3","N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide","C32 H49 N5 O7","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C;CC(C)C[CH](NC(=O)[CH](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[CH](CCC(C)=O)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CCC(=O)C)CC1CCNC1=O)NC(=O)C(CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2","InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1","TG-0204998","2008-10-30","2024-09-27","N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide",""],["XMY","(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","C26 H28 Br F3 N4 O2","C2C(=O)N(c1cccc(c1)OC(F)(F)F)CC(CCCC)N2Cc3n(cnc3)Cc4ccc(Br)cc4;CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Br)cc3)c4cccc(OC(F)(F)F)c4;CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Br)c4cccc(c4)OC(F)(F)F","InChI=1S/C26H28BrF3N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1","","2020-12-21","2022-10-21","(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","2022-10-26"],["ZU4","1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE","C18 H22 Cl N O","Clc1c(cccc1)CN2C=CC(=CC2=O)CCCCCC;CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1;CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl","InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3","","2011-07-13","2014-09-05","1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one",""],["G68","3-[6-(oxan-4-yl)pyridin-2-yl]phenol","C16 H17 N O2","Oc1cccc(c1)c2cccc(n2)C3CCOCC3;c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3","InChI=1S/C16H17NO2/c18-14-4-1-3-13(11-14)16-6-2-5-15(17-16)12-7-9-19-10-8-12/h1-6,11-12,18H,7-10H2","","2018-08-29","2019-09-06","3-[6-(oxan-4-yl)pyridin-2-yl]phenol","2019-09-11"],["A1IKQ","1-[(2R,4S,5R)-4-[[(1R,3R,4R,7S)-7-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","C40 H52 N13 O20 P3 S3","CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O[P](S)(=O)OC[CH]4O[CH](C[CH]4O[P](S)(=O)OC[CH]5O[CH](C[CH]5O)N6C=CC(=NC6=O)N)n7cnc8c(N)ncnc78)CO[P](S)(=O)O[CH]9C[CH](O[CH]9CO)N%10C=C(C)C(=O)NC%10=O)C(=O)N=C1N;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(OCC34COC(C3OP(=O)(OCC5C(CC(O5)n6cnc7c6ncnc7N)OP(=O)(OCC8C(CC(O8)N9C=CC(=NC9=O)N)O)S)S)C(O4)N1C=C(C(=NC1=O)N)C)S","InChI=1S/C40H52N13O20P3S3/c1-17-8-52(38(58)48-32(17)42)36-30-31(40(70-36,13-63-30)14-66-76(62,79)71-20-6-27(67-22(20)10-54)51-9-18(2)35(56)49-39(51)59)73-75(61,78)65-12-24-21(7-28(69-24)53-16-46-29-33(43)44-15-45-34(29)53)72-74(60,77)64-11-23-19(55)5-26(68-23)50-4-3-25(41)47-37(50)57/h3-4,8-9,15-16,19-24,26-28,30-31,36,54-55H,5-7,10-14H2,1-2H3,(H,60,77)(H,61,78)(H,62,79)(H2,41,47,57)(H2,42,48,58)(H2,43,44,45)(H,49,56,59)/t19-,20-,21-,22+,23+,24+,26+,27+,28+,30+,31-,36+,40+,74+,75+,76+/m0/s1","","2024-08-12","2025-08-15","1-[(2~{R},4~{S},5~{R})-4-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","2025-08-20"],["XMZ","3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C20 H22 N2 O3","CCOc1cncc(C)c1c2c([nH]c3c(cccc23)C(C)C)C(O)=O;CCOc1cncc(c1c2c3cccc(c3[nH]c2C(=O)O)C(C)C)C","InChI=1S/C20H22N2O3/c1-5-25-15-10-21-9-12(4)16(15)17-14-8-6-7-13(11(2)3)18(14)22-19(17)20(23)24/h6-11,22H,5H2,1-4H3,(H,23,24)","","2023-06-08","2024-06-21","3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["ZU5","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide","C34 H52 N4 O7","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C;CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)[CH](C)OC(C)(C)C)C(=O)N[CH](CCC(=O)C2CC2)C[CH]3CCNC3=O;CC(C)CC(C(=O)NC(CCC(=O)C1CC1)CC2CCNC2=O)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc3ccccc3","InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1","TG-0205486","2008-12-10","2024-09-27","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide",""],["G69","N-[(2S)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonami\nde","C18 H22 F3 N3 O3 S","O=S(=O)(NC3Cc1c(cc(cc1)Cn2nc(c(c2)CO)C(F)(F)F)C3)C(C)C;CC(C)[S](=O)(=O)N[CH]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1;CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO","InChI=1S/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/m0/s1","(S)-N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamid\ne","2010-11-23","2020-06-17","N-[(2S)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide",""],["ZU6","3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid","C14 H15 N3 O4","O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC;CNC(=O)CN1C(=O)c2ccccc2N=C1CCC(O)=O;CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O","InChI=1S/C14H15N3O4/c1-15-12(18)8-17-11(6-7-13(19)20)16-10-5-3-2-4-9(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20)","","2023-04-03","2023-04-28","3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid","2023-05-03"],["XN0","3',4'-demethoxy-nogalose-nogalamycinone","C29 H32 O12","CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23;CC1C(C(C(C(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)C(=O)OC)(C)O)OC)(C)O)O","InChI=1S/C29H32O12/c1-11-24(34)29(3,37)25(38-4)27(40-11)41-16-10-28(2,36)20(26(35)39-5)13-9-14-19(23(33)18(13)16)22(32)17-12(21(14)31)7-6-8-15(17)30/h6-9,11,16,20,24-25,27,30,33-34,36-37H,10H2,1-5H3/t11-,16-,20-,24-,25-,27-,28-,29+/m0/s1","methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate; methyl 4-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate","2023-11-06","2024-08-02","methyl (1~{R},2~{S},4~{S})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate","2024-08-07"],["A1IKU","(4-methylphenyl)-tris(oxidanyl)boron","C7 H10 B O3","Cc1ccc(cc1)[B](O)(O)O;B(c1ccc(cc1)C)(O)(O)O","InChI=1S/C7H10BO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5,9-11H,1H3","","2024-08-13","2024-11-01","(4-methylphenyl)-tris(oxidanyl)boron","2024-11-06"],["G6A","N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide","C21 H21 N3 O2","O=C(NC1CC1)c2cc(c(cc2)C)c4c(cc(c3nnc(o3)C)cc4)C;Cc1oc(nn1)c2ccc(c(C)c2)c3cc(ccc3C)C(=O)NC4CC4;Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4","InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)","","2008-08-26","2011-06-04","N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide",""],["XN1","N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN\nTANAMIDE","C37 H49 N5 O4","O=C(NC2c1ccccc1CC2O)C(C(c3ccccc3)C)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5;C[CH]([CH](C[CH](O)CN1CCN(C[CH]1C(=O)NC(C)(C)C)Cc2cccnc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)c5ccccc5;CC(c1ccccc1)C(CC(CN2CCN(CC2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)NC4c5ccccc5CC4O","InChI=1S/C37H49N5O4/c1-25(27-12-6-5-7-13-27)31(35(45)39-34-30-15-9-8-14-28(30)19-33(34)44)20-29(43)23-42-18-17-41(22-26-11-10-16-38-21-26)24-32(42)36(46)40-37(2,3)4/h5-16,21,25,29,31-34,43-44H,17-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t25-,29+,31+,32+,33-,34+/m1/s1","ANALOGUE OF INDINAVIR","2001-11-05","2020-06-17","(2S)-N-tert-butyl-1-[(2S,4S,5S)-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-phenylhexyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name)",""],["G6B","(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide","C14 H16 N4 O2 S","C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N","InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1","","2018-08-29","2019-02-15","(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide","2019-02-20"],["ZU7","N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide","C12 H16 F N3 O","O=C(CN1CCNCC1)Nc1ccc(F)cc1;Fc1ccc(NC(=O)CN2CCNCC2)cc1;c1cc(ccc1NC(=O)CN2CCNCC2)F","InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)","","2023-07-05","2023-07-21","N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide","2023-07-26"],["XN2","N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE\nNYLETHYL)-PENTANAMIDE","C39 H50 N4 O6","O=C(NC2c1ccccc1CC2O)C(C(c3ccccc3)C)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5;C[CH]([CH](C[CH](O)CN1CCN(C[CH]1C(=O)NC(C)(C)C)Cc2ccc3OCOc3c2)C(=O)N[CH]4[CH](O)Cc5ccccc45)c6ccccc6;CC(c1ccccc1)C(CC(CN2CCN(CC2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)NC5c6ccccc6CC5O","InChI=1S/C39H50N4O6/c1-25(27-10-6-5-7-11-27)31(37(46)40-36-30-13-9-8-12-28(30)19-33(36)45)20-29(44)22-43-17-16-42(23-32(43)38(47)41-39(2,3)4)21-26-14-15-34-35(18-26)49-24-48-34/h5-15,18,25,29,31-33,36,44-45H,16-17,19-24H2,1-4H3,(H,40,46)(H,41,47)/t25-,29+,31+,32+,33-,36+/m1/s1","ANALOGUE OF INDINAVIR DRUG","2001-11-05","2020-06-17","(2S)-4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-1-[(2S,4S,5S)-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-phenylhexyl]piperazine-2-carboxamide (non-preferred name)",""],["G6C","5-oxidanyl-1H-pyridin-2-one","C5 H5 N O2","OC1=CNC(=O)C=C1;C1=CC(=O)NC=C1O","InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)","","2020-07-31","2020-12-11","5-oxidanyl-1~{H}-pyridin-2-one","2020-12-16"],["ZU9","3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid","C20 H19 N3 O4","O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc1ccccc1;OC(=O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)CN2C(=Nc3ccccc3C2=O)CCC(=O)O","InChI=1S/C20H19N3O4/c24-18(21-12-14-6-2-1-3-7-14)13-23-17(10-11-19(25)26)22-16-9-5-4-8-15(16)20(23)27/h1-9H,10-13H2,(H,21,24)(H,25,26)","","2023-04-03","2023-04-28","3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid","2023-05-03"],["ZUC","3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide","C13 H11 F N2 O2","O=C(Nc1c(C)cccc1O)c1ccncc1F;Cc1cccc(O)c1NC(=O)c2ccncc2F;Cc1cccc(c1NC(=O)c2ccncc2F)O","InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)","","2023-07-05","2023-07-21","3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide","2023-07-26"],["XN3","N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE","C38 H48 N4 O6","O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5;CC(C)(C)NC(=O)[CH]1CN(CCN1C[CH](O)C[CH](Cc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)Cc5ccc6OCOc6c5;CC(C)(C)NC(=O)C1CN(CCN1CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4CC3O)O)Cc5ccc6c(c5)OCO6","InChI=1S/C38H48N4O6/c1-38(2,3)40-37(46)31-23-41(21-26-13-14-33-34(18-26)48-24-47-33)15-16-42(31)22-29(43)19-28(17-25-9-5-4-6-10-25)36(45)39-35-30-12-8-7-11-27(30)20-32(35)44/h4-14,18,28-29,31-32,35,43-44H,15-17,19-24H2,1-3H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,35+/m1/s1","ANALOGUE OF INDINAVIR DRUG","2001-11-02","2021-03-01","(2S)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name)",""],["G6D","alpha-D-quinovopyranose","C6 H12 O5","C1(C(O)C(O)C(O)C(O1)C)O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1","alpha-D-quinovose; 6-deoxy-alpha-D-glucopyranose; D-quinovose; quinovose; 6-DEOXY-ALPHA-D-GLUCOSE","1999-08-04","2020-07-17","6-deoxy-alpha-D-glucopyranose",""],["ZUD","Udenafil","C25 H36 N6 O4 S","CN1CCCC1CCNS(=O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c(OCCC)cc1;CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[CH]4CCCN4C;CCCc1c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(=O)(=O)NCCC4CCCN4C","InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/t17-/m1/s1","(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide","2023-10-06","2024-01-12","(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide","2024-01-17"],["G6E","(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide","C13 H15 N5 O2 S","C[CH](N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N","InChI=1S/C13H15N5O2S/c1-6(14)12(20)18-13-17-10(7(2)19)11(21-13)8-3-9(15)5-16-4-8/h3-6H,14-15H2,1-2H3,(H,17,18,20)/t6-/m1/s1","","2018-08-29","2019-02-15","(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide","2019-02-20"],["A1IL9","2-chloranyl-4-[[4-[(9S)-4,5,13-trimethyl-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]carbamoyl]benzenesulfinic acid","C30 H30 Cl N5 O5 S2","Cc1sc2n3c(C)nnc3[CH](CC(=O)OC(C)(C)C)N=C(c4ccc(NC(=O)c5ccc(c(Cl)c5)[S](O)=O)cc4)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)NC(=O)c5ccc(c(c5)Cl)S(=O)O)C","InChI=1S/C30H30ClN5O5S2/c1-15-16(2)42-29-25(15)26(33-22(14-24(37)41-30(4,5)6)27-35-34-17(3)36(27)29)18-7-10-20(11-8-18)32-28(38)19-9-12-23(43(39)40)21(31)13-19/h7-13,22H,14H2,1-6H3,(H,32,38)(H,39,40)/t22-/m0/s1","","2024-08-20","2026-04-03","2-chloranyl-4-[[4-[(9~{S})-4,5,13-trimethyl-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]carbamoyl]benzenesulfinic acid","2026-04-08"],["XN4","(5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","C26 H28 Cl F3 N4 O2","c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(cc3)Cl)cc(c4)OC(F)(F)F;CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Cl)cc3)c4cccc(OC(F)(F)F)c4;CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Cl)c4cccc(c4)OC(F)(F)F","InChI=1S/C26H28ClF3N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1","","2020-12-21","2022-11-04","(5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","2022-11-09"],["A1ILA","11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one","C25 H30 Cl N4 O5 S2","N[CH]1CC[CH](CC1)N2CCCCC[n+]3c(N[S](=O)(=O)c4ccc(O)c(c4)C2=O)sc5c(Cl)ccc(O)c35;c1cc(c2cc1S(=O)(=O)Nc3[n+](c4c(ccc(c4s3)Cl)O)CCCCCN(C2=O)C5CCC(CC5)N)O","InChI=1S/C25H29ClN4O5S2/c26-19-9-11-21(32)22-23(19)36-25-28-37(34,35)17-8-10-20(31)18(14-17)24(33)29(12-2-1-3-13-30(22)25)16-6-4-15(27)5-7-16/h8-11,14-16H,1-7,12-13,27H2,(H2,31,32,33)/p+1/b28-25-/t15-,16+","","2024-08-14","2025-04-11","","2025-04-16"],["G6F","3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid","C26 H25 F N4 O3","CC(C)[C]1(c2cc(F)cc(c2)c3cccc(CCC(O)=O)c3)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N","InChI=1S/C26H25FN4O3/c1-14(2)26(21(13-28)24(29)34-25-23(26)15(3)30-31-25)19-10-18(11-20(27)12-19)17-6-4-5-16(9-17)7-8-22(32)33/h4-6,9-12,14H,7-8,29H2,1-3H3,(H,30,31)(H,32,33)/t26-/m0/s1","","2016-09-14","2017-07-07","3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid","2017-07-12"],["ZUE","3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid","C21 H20 Cl N3 O5","COc1ccccc1CNC(=O)CN1C(=Nc2c(cccc2Cl)C1=O)CCC(=O)O;COc1ccccc1CNC(=O)CN2C(=O)c3cccc(Cl)c3N=C2CCC(O)=O;COc1ccccc1CNC(=O)CN2C(=Nc3c(cccc3Cl)C2=O)CCC(=O)O","InChI=1S/C21H20ClN3O5/c1-30-16-8-3-2-5-13(16)11-23-18(26)12-25-17(9-10-19(27)28)24-20-14(21(25)29)6-4-7-15(20)22/h2-8H,9-12H2,1H3,(H,23,26)(H,27,28)","","2023-04-03","2023-04-28","3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid","2023-05-03"],["XN5","5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol","C15 H12 F N3 O S","Fc1ccc(CNc2ncccc2c2ccsn2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3ccsn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3ccsn3","InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["ZUF","~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine","C13 H9 Cl N4 S","Clc1ccc(Nc2scc(n2)c3ccccn3)nc1;c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl","InChI=1S/C13H9ClN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)","","2017-01-27","2017-10-20","~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine","2017-10-25"],["A1ILE","1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone","C9 H15 N3 O3","CC(=O)N1CN(CN(C1)C(C)=O)C(C)=O;CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C","InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3","","2024-08-15","2025-04-25","1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone","2025-04-30"],["XN6","3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C20 H21 F N4 O2","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(CNC(N)=N)c(F)c3;CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CNC(=N)N)C(=O)O","InChI=1S/C20H21FN4O2/c1-10(2)13-4-3-5-14-16(18(19(26)27)25-17(13)14)11-6-7-12(15(21)8-11)9-24-20(22)23/h3-8,10,25H,9H2,1-2H3,(H,26,27)(H4,22,23,24)","","2023-06-08","2024-06-21","3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["G6G","N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C35 H37 N9 O2","O=C(Nc4ccc(c(Nc3ncccc3c1ncnc(n1)Nc2ccc(OC)cc2)c4)C)c5ccc(cc5)CN6CCN(CC6)C;COc1ccc(Nc2ncnc(n2)c3cccnc3Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)cc1;Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C","InChI=1S/C35H37N9O2/c1-24-6-11-28(39-34(45)26-9-7-25(8-10-26)22-44-19-17-43(2)18-20-44)21-31(24)41-32-30(5-4-16-36-32)33-37-23-38-35(42-33)40-27-12-14-29(46-3)15-13-27/h4-16,21,23H,17-20,22H2,1-3H3,(H,36,41)(H,39,45)(H,37,38,40,42)","","2009-02-09","2011-06-04","N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide",""],["XN7","N,N~2~-bis(2-hydroxyethyl)glycinamide","C6 H14 N2 O3","C(CNCC(NCCO)=O)O;OCCNCC(=O)NCCO;C(CO)NCC(=O)NCCO","InChI=1S/C6H14N2O3/c9-3-1-7-5-6(11)8-2-4-10/h7,9-10H,1-5H2,(H,8,11)","","2020-12-22","2021-03-12","N,N~2~-bis(2-hydroxyethyl)glycinamide","2021-03-17"],["G6H","N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide","C32 H28 F3 N7 O4","FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc5ncccc5c3ncnc(n3)Nc4cc(OC)c(OC)c(OC)c4;COc1cc(Nc2ncnc(n2)c3cccnc3Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)cc(OC)c1OC;Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C32H28F3N7O4/c1-18-10-11-21(39-30(43)19-7-5-8-20(13-19)32(33,34)35)14-24(18)41-28-23(9-6-12-36-28)29-37-17-38-31(42-29)40-22-15-25(44-2)27(46-4)26(16-22)45-3/h5-17H,1-4H3,(H,36,41)(H,39,43)(H,37,38,40,42)","","2009-02-09","2011-06-04","N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide",""],["ZUG","N,N-dimethylpyridine-3-sulfonamide","C7 H10 N2 O2 S","O=S(=O)(c1cccnc1)N(C)C;CN(C)[S](=O)(=O)c1cccnc1;CN(C)S(=O)(=O)c1cccnc1","InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3","","2023-07-05","2023-07-21","N,N-dimethylpyridine-3-sulfonamide","2023-07-26"],["G6I","N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide","C30 H24 F3 N7 O2","FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc5ncccc5c3ncnc(n3)Nc4ccc(OC)cc4;COc1ccc(Nc2ncnc(n2)c3cccnc3Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)cc1;Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C30H24F3N7O2/c1-18-8-9-22(37-28(41)19-5-3-6-20(15-19)30(31,32)33)16-25(18)39-26-24(7-4-14-34-26)27-35-17-36-29(40-27)38-21-10-12-23(42-2)13-11-21/h3-17H,1-2H3,(H,34,39)(H,37,41)(H,35,36,38,40)","","2012-05-03","2012-11-02","N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide","2012-11-02"],["XN8","3',4'-demethoxy-nogalose-1-hydroxy-nogalamycinone","C29 H32 O13","CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5c(O)ccc(O)c5C(=O)c4c(O)c23;CC1C(C(C(C(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5c(ccc(c5C4=O)O)O)O)C(=O)OC)(C)O)OC)(C)O)O","InChI=1S/C29H32O13/c1-10-24(35)29(3,38)25(39-4)27(41-10)42-15-9-28(2,37)20(26(36)40-5)11-8-12-17(22(33)16(11)15)23(34)19-14(31)7-6-13(30)18(19)21(12)32/h6-8,10,15,20,24-25,27,30-31,33,35,37-38H,9H2,1-5H3/t10-,15-,20-,24-,25-,27-,28-,29+/m0/s1","methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate","2023-11-06","2024-08-02","methyl (1~{R},2~{S},4~{S})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate","2024-08-07"],["ZUI","1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione","C22 H23 Cl N4 O3","CC1=CN(C2CCN(CC2)Cc3cncc(Oc4cccc(Cl)c4)c3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl","InChI=1S/C22H23ClN4O3/c1-15-13-27(22(29)25-21(15)28)18-5-7-26(8-6-18)14-16-9-20(12-24-11-16)30-19-4-2-3-17(23)10-19/h2-4,9-13,18H,5-8,14H2,1H3,(H,25,28,29)","","2017-04-25","2018-08-03","1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione","2018-08-08"],["ZUJ","2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide","C17 H16 N2 O6 S","NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1;N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3CCC(=O)Oc3c2)cc1;c1cc(ccc1NC(=O)COc2ccc3c(c2)OC(=O)CC3)S(=O)(=O)N","InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23)","coumarin benzene sulfonamide SG1-51","2023-04-04","2024-03-29","2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide","2024-04-03"],["XN9","5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol","C14 H12 F N5 O","Fc1ccc(CNc2ncccc2c2nnc[NH]2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3[nH]cnn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3[nH]cnn3","InChI=1S/C14H12FN5O/c15-10-4-3-9(12(21)6-10)7-17-13-11(2-1-5-16-13)14-18-8-19-20-14/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["G6J","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one","C19 H23 F2 N5 O2","c3(F)cc(Nc1nc2c(cn1)N(C(=O)C(C)N2CCC)CCC)cc(c3O)F;CCCN1[CH](C)C(=O)N(CCC)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12;CCCN1c2cnc(nc2N(C(C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F","InChI=1S/C19H23F2N5O2/c1-4-6-25-11(3)18(28)26(7-5-2)15-10-22-19(24-17(15)25)23-12-8-13(20)16(27)14(21)9-12/h8-11,27H,4-7H2,1-3H3,(H,22,23,24)/t11-/m1/s1","","2018-05-10","2018-05-18","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one","2018-05-23"],["ZUK","5-pyrimidin-2-yl-D-norvaline","C9 H13 N3 O2","O=C(O)C(N)CCCc1ncccn1;N[CH](CCCc1ncccn1)C(O)=O;c1cnc(nc1)CCCC(C(=O)O)N","InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1","","2009-07-31","2024-09-27","5-pyrimidin-2-yl-D-norvaline",""],["XNA","N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine","C21 H26 N8","n3c(Nc1ccccc1C)c5ncnc(NCC2CC2)c5nc3N4CCNCC4;Cc1ccccc1Nc2nc(nc3c(NCC4CC4)ncnc23)N5CCNCC5;Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5","InChI=1S/C21H26N8/c1-14-4-2-3-5-16(14)26-20-17-18(19(25-13-24-17)23-12-15-6-7-15)27-21(28-20)29-10-8-22-9-11-29/h2-5,13,15,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)","","2011-01-12","2012-01-13","N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine",""],["G6K","1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one","C22 H28 N8 O2 S","O=C(N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5)CC;CCC(=O)N1CC[CH](C1)Nc2nc(CN3CCOCC3)cc(Nc4sc5ncccc5n4)n2;CCC(=O)N1CCC(C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5","InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1","","2013-05-03","2024-09-27","1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one","2013-08-21"],["XNB","N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine","C21 H26 N8 S","n3c(Nc1ccccc1SC)c5ncnc(NCC2CC2)c5nc3N4CCNCC4;CSc1ccccc1Nc2nc(nc3c(NCC4CC4)ncnc23)N5CCNCC5;CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5","InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)","","2011-01-12","2012-01-13","N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine",""],["A1ILV","~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide","C25 H33 Cl N2 O3","CCC(=O)N([CH](CC(C)(C)O)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2;CCC(=O)N(c1ccc(cc1)OC2CCC(C2)N)C(CC(C)(C)O)c3ccc(cc3)Cl","InChI=1S/C25H33ClN2O3/c1-4-24(29)28(23(16-25(2,3)30)17-5-7-18(26)8-6-17)20-10-13-21(14-11-20)31-22-12-9-19(27)15-22/h5-8,10-11,13-14,19,22-23,30H,4,9,12,15-16,27H2,1-3H3/t19-,22-,23+/m1/s1","","2024-08-20","2024-12-13","~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide","2024-12-18"],["ZUL","4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid","C19 H14 F N O2","OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3;c1ccc(cc1)c2cccc(c2)Nc3cc(ccc3C(=O)O)F","InChI=1S/C19H14FNO2/c20-15-9-10-17(19(22)23)18(12-15)21-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12,21H,(H,22,23)","","2023-07-05","2023-11-17","4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid","2023-11-22"],["G6L","(6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine","C10 H17 N3 S","CCCN[CH]1CCc2nc(N)sc2C1;CCCNC1CCc2c(sc(n2)N)C1","InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1","","2020-07-31","2021-03-05","(6~{S})-~{N}6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine","2021-03-10"],["ZUN","(4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-nitrophenyl)methyl]-L-prolinamide","C18 H20 N4 O6","O=C(Cc1cc(C)no1)N1CC(O)CC1C(=O)NCc1ccc(cc1)[N+]([O-])=O;Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)[N+]([O-])=O)on1;Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)[N+](=O)[O-])O","InChI=1S/C18H20N4O6/c1-11-6-15(28-20-11)8-17(24)21-10-14(23)7-16(21)18(25)19-9-12-2-4-13(5-3-12)22(26)27/h2-6,14,16,23H,7-10H2,1H3,(H,19,25)/t14-,16+/m1/s1","","2011-07-19","2026-04-06","(4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-nitrophenyl)methyl]-L-prolinamide",""],["G6M","2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide","C16 H19 Cl F N3 O4","c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3;Fc1cc(ccc1N2CCOCC2)N3C[CH](CNC(=O)CCl)OC3=O;c1cc(c(cc1N2CC(OC2=O)CNC(=O)CCl)F)N3CCOCC3","InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1","oxazolidinone antibiotic LZD-6","2018-05-10","2021-03-01","2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide","2019-03-20"],["XNC","(11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide","C34 H32 F N3 O5 S","Fc2cc(OCc1ccccc1)ccc2C5C6=C(Nc3c(O)cccc3N5C(=O)c4nc(ccc4)C)CC(CS6(=O)=O)(C)C;Cc1cccc(n1)C(=O)N2[CH](c3ccc(OCc4ccccc4)cc3F)C5=C(CC(C)(C)C[S]5(=O)=O)Nc6c(O)cccc26;Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C(C2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O","InChI=1S/C34H32FN3O5S/c1-21-9-7-12-26(36-21)33(40)38-28-13-8-14-29(39)30(28)37-27-18-34(2,3)20-44(41,42)32(27)31(38)24-16-15-23(17-25(24)35)43-19-22-10-5-4-6-11-22/h4-17,31,37,39H,18-20H2,1-3H3/t31-/m0/s1","","2009-03-23","2011-06-04","(11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide",""],["A1ILY","~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide","C22 H27 Cl N2 O2","CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2;CCC(=O)N(c1ccc(cc1)OC2CCC(C2)N)C(C)c3ccc(cc3)Cl","InChI=1S/C22H27ClN2O2/c1-3-22(26)25(15(2)16-4-6-17(23)7-5-16)19-9-12-20(13-10-19)27-21-11-8-18(24)14-21/h4-7,9-10,12-13,15,18,21H,3,8,11,14,24H2,1-2H3/t15?,18-,21+/m0/s1","","2024-08-20","2024-12-13","~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide","2024-12-18"],["ZUO","(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine","C19 H25 N7 O2","CC1COCCN1c1cc(nc2[NH]c(nc21)c1cc[NH]n1)N1CCOCC1C;C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4nc([nH]c4n2)c5cc[nH]n5;CC1COCCN1c2cc(nc3c2nc([nH]3)c4cc[nH]n4)N5CCOCC5C","InChI=1S/C19H25N7O2/c1-12-10-27-7-5-25(12)15-9-16(26-6-8-28-11-13(26)2)21-19-17(15)22-18(23-19)14-3-4-20-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-,13+/m1/s1","","2023-04-04","2023-07-14","(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine","2023-07-19"],["G6N","[(2~{S},3~{S},4~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)-5-[oxidanyl-[(2~{R})-2-oxidanylpropoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","C23 H47 N O24 P2","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)C(O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO;CC(=O)NC1C(C(C(OC1OC(COP(=O)(O)OCC(C(C(CO)O)O)O)C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)CO)O)O","InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19?,20-,21+,22+,23+/m0/s1","","2022-01-27","2022-08-26","[(2~{R},3~{S},4~{S})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","2022-08-31"],["XND","(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one","C23 H22 Cl2 N2 O3","Clc1ccc(c(Cl)c1)C3C4=C(Nc2c(cccc2O)N3C(=O)C)CC(CC4=O)(C)C;CC(=O)N1[CH](c2ccc(Cl)cc2Cl)C3=C(CC(C)(C)CC3=O)Nc4c(O)cccc14;CC(=O)N1c2cccc(c2NC3=C(C1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O","InChI=1S/C23H22Cl2N2O3/c1-12(28)27-17-5-4-6-18(29)21(17)26-16-10-23(2,3)11-19(30)20(16)22(27)14-8-7-13(24)9-15(14)25/h4-9,22,26,29H,10-11H2,1-3H3/t22-/m0/s1","","2009-04-21","2011-06-04","(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one",""],["A1ILZ","3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one","C24 H25 Cl N4 O4","COc1c(Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4OC[CH]5CCCO5;COc1c(cccc1Cl)Nc2c3c([nH]c2c4ccncc4OCC5CCCO5)CCNC3=O","InChI=1S/C24H25ClN4O4/c1-31-23-16(25)5-2-6-18(23)29-22-20-17(8-10-27-24(20)30)28-21(22)15-7-9-26-12-19(15)33-13-14-4-3-11-32-14/h2,5-7,9,12,14,28-29H,3-4,8,10-11,13H2,1H3,(H,27,30)/t14-/m1/s1","","2024-08-20","2025-05-09","3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one","2025-05-14"],["G6O","(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol","C14 H19 N O3","CCCN1CCO[CH]2[CH]1COc3ccc(O)cc23;CCCN1CCOC2C1COc3c2cc(cc3)O","InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1","","2020-07-31","2021-03-05","(4~{a}~{R},10~{b}~{R})-4-propyl-3,4~{a},5,10~{b}-tetrahydro-2~{H}-chromeno[4,3-b][1,4]oxazin-9-ol","2021-03-10"],["ZUP","2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid","C20 H18 N2 O3","OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2;c1ccc(cc1)CCOc2cccc(c2)Nc3c(cccn3)C(=O)O","InChI=1S/C20H18N2O3/c23-20(24)18-10-5-12-21-19(18)22-16-8-4-9-17(14-16)25-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H,21,22)(H,23,24)","","2023-07-05","2023-11-17","2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid","2023-11-22"],["XNE","7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid","C29 H30 N4 O5","C[CH](OC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(CN5CCOCC5)nc4;CC(c1cccc2c1[nH]c(c2c3ccc(nc3)CN4CCOCC4)C(=O)O)OC(=O)c5ccc(cc5)CN","InChI=1S/C29H30N4O5/c1-18(38-29(36)20-7-5-19(15-30)6-8-20)23-3-2-4-24-25(27(28(34)35)32-26(23)24)21-9-10-22(31-16-21)17-33-11-13-37-14-12-33/h2-10,16,18,32H,11-15,17,30H2,1H3,(H,34,35)/t18-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["G6P","6-O-phosphono-alpha-D-glucopyranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1","ALPHA-D-GLUCOSE-6-PHOSPHATE; 6-O-phosphono-alpha-D-glucose; 6-O-phosphono-D-glucose; 6-O-phosphono-glucose","1999-07-08","2020-07-17","6-O-phosphono-alpha-D-glucopyranose",""],["XNF","4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide","C24 H32 N4 O10 P2 S2","CO[P](=O)(OC)[CH](Nc1ccc(cc1)[S](N)(=O)=O)c2ccc(cc2)[CH](Nc3ccc(cc3)[S](N)(=O)=O)[P](=O)(OC)OC;COP(=O)(C(c1ccc(cc1)C(Nc2ccc(cc2)S(=O)(=O)N)P(=O)(OC)OC)Nc3ccc(cc3)S(=O)(=O)N)OC","InChI=1S/C24H32N4O10P2S2/c1-35-39(29,36-2)23(27-19-9-13-21(14-10-19)41(25,31)32)17-5-7-18(8-6-17)24(40(30,37-3)38-4)28-20-11-15-22(16-12-20)42(26,33)34/h5-16,23-24,27-28H,1-4H3,(H2,25,31,32)(H2,26,33,34)/t23-,24+","","2023-11-06","2024-11-08","4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide","2024-11-13"],["ZUQ","N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide","C15 H13 Cl N4 O3","Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3;c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4","InChI=1S/C15H13ClN4O3/c16-10-6-18-15-13(22-7-23-15)12(10)19-9-3-4-17-11(5-9)20-14(21)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,18,19,20,21)","","2015-12-17","2016-07-22","N-[4-[(6-chloranyl-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]pyridin-2-yl]cyclopropanecarboxamide","2016-07-27"],["A1IME","(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid","C12 H13 N3 O3 S","Cc1ccnc2cc(sc12)C(=O)NC[CH](N)C(O)=O;Cc1ccnc2c1sc(c2)C(=O)NCC(C(=O)O)N","InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,16)(H,17,18)/t7-/m1/s1","","2024-08-21","2024-11-22","(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid","2024-11-27"],["ZUS","2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide","C18 H16 N2 O6 S","NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1;N[S](=O)(=O)c1ccc(CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1;c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3)S(=O)(=O)N","InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24)","","2023-04-04","2024-03-29","2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide","2024-04-03"],["XNG","4-(decanoylamino)butanoic acid","C14 H27 N O3","C(CCC(=O)O)NC(CCCCCCCCC)=O;CCCCCCCCCC(=O)NCCCC(O)=O;CCCCCCCCCC(=O)NCCCC(=O)O","InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)","","2020-12-22","2021-07-23","4-(decanoylamino)butanoic acid","2021-07-28"],["G6Q","GLUCOSE-6-PHOSPHATE","C6 H13 O9 P","O=P(O)(O)OCC(O)C(O)C(O)C(O)C=O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1","","2001-09-14","2011-06-04","6-O-phosphono-D-glucose",""],["ZUT","4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid","C20 H16 F N O3","OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2;c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F","InChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)","","2023-07-05","2023-11-17","4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid","2023-11-22"],["G6R","N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide","C34 H42 F2 N4 O6 S2","c7c(CC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(n2)NC3CC3)(=O)=O)O)NC(CC6C5CC4C6COC4OC5)=O)cc(cc7F)F;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)C[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)CC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C34H42F2N4O6S2/c1-18(2)14-40(48(43,44)24-5-6-28-31(12-24)47-34(39-28)37-23-3-4-23)15-30(41)29(9-19-7-21(35)11-22(36)8-19)38-32(42)13-25-20-10-26-27(25)17-46-33(26)45-16-20/h5-8,11-12,18,20,23,25-27,29-30,33,41H,3-4,9-10,13-17H2,1-2H3,(H,37,39)(H,38,42)/t20-,25+,26-,27+,29+,30-,33+/m1/s1","","2019-12-31","2020-06-26","N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide","2020-07-01"],["XNH","(3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one","C25 H33 N7 O3","COc1nnc2ccc(nn12)N3CCC(CC3)c4ccc(OCCN5CCN(C)C(=O)[CH]5C)cc4;CC1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C","InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1","","2016-06-17","2016-09-16","(3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one","2016-09-21"],["ZUV","ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate","C17 H31 F N O4 P","FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC;CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C;CCOP(=O)(CCCCCCCCCCOC(=O)NCCC#C)F","InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1","","2023-04-04","2024-09-27","ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate","2024-04-17"],["A1IMO","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione","C25 H34 Cl N5 O5","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(OC4CC(C)(C)N(O)C(C)(C)C4)nc12;CC1(CC(CC(N1O)(C)C)Oc2nc3c(n2Cc4ccc(cc4)Cl)C(=O)N(C(=O)N3C)CCCO)C","InChI=1S/C25H34ClN5O5/c1-24(2)13-18(14-25(3,4)31(24)35)36-22-27-20-19(30(22)15-16-7-9-17(26)10-8-16)21(33)29(11-6-12-32)23(34)28(20)5/h7-10,18,32,35H,6,11-15H2,1-5H3","","2024-08-27","2025-08-29","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione","2025-09-03"],["XNI","(11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one","C30 H29 Cl N2 O3","Clc2c(OCc1ccccc1)ccc(c2)C4C5=C(Nc3ccccc3N4C(=O)C)CC(CC5=O)(C)C;CC(=O)N1[CH](c2ccc(OCc3ccccc3)c(Cl)c2)C4=C(CC(C)(C)CC4=O)Nc5ccccc15;CC(=O)N1c2ccccc2NC3=C(C1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C","InChI=1S/C30H29ClN2O3/c1-19(34)33-25-12-8-7-11-23(25)32-24-16-30(2,3)17-26(35)28(24)29(33)21-13-14-27(22(31)15-21)36-18-20-9-5-4-6-10-20/h4-15,29,32H,16-18H2,1-3H3/t29-/m0/s1","","2008-04-13","2011-06-04","(11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one",""],["G6S","6-O-sulfo-beta-D-galactopyranose","C6 H12 O9 S","O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OS(=O)(=O)O","InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1","D-GALACTOSE-6-SULFATE; 6-O-sulfo-beta-D-galactose; 6-O-sulfo-D-galactose; 6-O-sulfo-galactose","2001-01-25","2020-07-17","6-O-sulfo-beta-D-galactopyranose",""],["G6T","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide","C18 H22 N6 O3 S","O=S(=O)(N)c4cccc(c3nc2nc(nc(OCC1CCCCC1)c2n3)N)c4;Nc1nc(OCC2CCCCC2)c3[nH]c(nc3n1)c4cccc(c4)[S](N)(=O)=O;c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N","InChI=1S/C18H22N6O3S/c19-18-23-16-14(17(24-18)27-10-11-5-2-1-3-6-11)21-15(22-16)12-7-4-8-13(9-12)28(20,25)26/h4,7-9,11H,1-3,5-6,10H2,(H2,20,25,26)(H3,19,21,22,23,24)","","2013-11-20","2014-12-05","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide","2014-12-10"],["ZUW","1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one","C11 H13 N O2","CC(=O)N1Cc2ccccc2OCC1;CC(=O)N1CCOc2ccccc2C1;CC(=O)N1CCOc2ccccc2C1","InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3","","2023-07-05","2023-07-21","1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one","2023-07-26"],["XNJ","N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide","C27 H28 N6 O S","C1N(CCNC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(c3)Nc4scc(n4)c5cccnc5;Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc4scc(n4)c5cccnc5;Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5","InChI=1S/C27H28N6OS/c1-19-4-9-23(15-24(19)31-27-32-25(18-35-27)22-3-2-10-29-16-22)30-26(34)21-7-5-20(6-8-21)17-33-13-11-28-12-14-33/h2-10,15-16,18,28H,11-14,17H2,1H3,(H,30,34)(H,31,32)","demethylated masitinib","2020-12-22","2020-12-25","N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide","2020-12-30"],["A1IMP","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(1,1,3,3-tetramethyl-2-oxidanyl-isoindol-5-yl)oxy-purine-2,6-dione","C28 H32 Cl N5 O5","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc5c(c4)C(C)(C)N(O)C5(C)C)nc12;CC1(c2ccc(cc2C(N1O)(C)C)Oc3nc4c(n3Cc5ccc(cc5)Cl)C(=O)N(C(=O)N4C)CCCO)C","InChI=1S/C28H32ClN5O5/c1-27(2)20-12-11-19(15-21(20)28(3,4)34(27)38)39-25-30-23-22(33(25)16-17-7-9-18(29)10-8-17)24(36)32(13-6-14-35)26(37)31(23)5/h7-12,15,35,38H,6,13-14,16H2,1-5H3","","2024-08-27","2025-09-05","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(1,1,3,3-tetramethyl-2-oxidanyl-isoindol-5-yl)oxy-purine-2,6-dione","2025-09-10"],["G6U","~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine","C16 H19 F6 N O S","CC(C)CCNCC=C[S](=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F;CC(C)CCNCC=CS(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F","InChI=1S/C16H19F6NOS/c1-11(2)4-6-23-5-3-7-25(24)14-9-12(15(17,18)19)8-13(10-14)16(20,21)22/h3,7-11,23H,4-6H2,1-2H3/b7-3+/t25-/m0/s1","","2020-08-03","2021-06-04","~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine","2021-06-09"],["ZUY","9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine","C19 H21 N5 S","Cc1cc(C)cc(C)c1Sc1nc2c(N)ncnc2n1CCCC#C;Cc1cc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1;Cc1cc(c(c(c1)C)Sc2nc3c(ncnc3n2CCCC#C)N)C","InChI=1S/C19H21N5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)25-16-13(3)9-12(2)10-14(16)4/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)","","2023-04-05","2024-10-04","9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine","2024-10-09"],["XNK","5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol","C14 H11 F N4 O2","Fc1ccc(CNc2ncccc2c2ncon2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3nocn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncon3","InChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17)","","2022-11-29","2023-12-08","5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["XNL","(1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol","C19 H22 N2 O","O[CH](Cn1c2ccccc2c3ccncc13)C4CCCCC4;c1ccc2c(c1)c3ccncc3n2CC(C4CCCCC4)O","InChI=1S/C19H22N2O/c22-19(14-6-2-1-3-7-14)13-21-17-9-5-4-8-15(17)16-10-11-20-12-18(16)21/h4-5,8-12,14,19,22H,1-3,6-7,13H2/t19-/m0/s1","","2015-11-19","2016-02-05","(1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol","2016-02-10"],["G6V","2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide","C16 H18 Cl2 F N3 O4","c2(N1CC(CNC(=O)C(Cl)Cl)OC1=O)cc(c(cc2)N3CCOCC3)F;Fc1cc(ccc1N2CCOCC2)N3C[CH](CNC(=O)C(Cl)Cl)OC3=O;c1cc(c(cc1N2CC(OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3","InChI=1S/C16H18Cl2FN3O4/c17-14(18)15(23)20-8-11-9-22(16(24)26-11)10-1-2-13(12(19)7-10)21-3-5-25-6-4-21/h1-2,7,11,14H,3-6,8-9H2,(H,20,23)/t11-/m0/s1","oxazolidinone antibiotic LZD-5","2018-05-10","2020-06-17","2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide","2019-03-20"],["ZUZ","methyl N-(cyclohexanecarbonyl)glycinate","C10 H17 N O3","O=C(NCC(=O)OC)C1CCCCC1;COC(=O)CNC(=O)C1CCCCC1;COC(=O)CNC(=O)C1CCCCC1","InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)","","2023-07-05","2023-07-21","methyl N-(cyclohexanecarbonyl)glycinate","2023-07-26"],["XNM","(4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone","C23 H24 Cl N5 O2","Clc1ccc(cc1)c2nc(ncc2)Nc3ccc(cc3)C(=O)N4CCN(CCO)CC4;OCCN1CCN(CC1)C(=O)c2ccc(Nc3nccc(n3)c4ccc(Cl)cc4)cc2;c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl","InChI=1S/C23H24ClN5O2/c24-19-5-1-17(2-6-19)21-9-10-25-23(27-21)26-20-7-3-18(4-8-20)22(31)29-13-11-28(12-14-29)15-16-30/h1-10,30H,11-16H2,(H,25,26,27)","","2011-01-14","2011-06-04","(4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone",""],["A1IMY","(1S,3S,4S)-N-[(2S)-1-azanylidene-3-[(3S)-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2R)-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide","C26 H36 F5 N5 O4","CC1(C)C[CH](C[CH](NC(=O)[CH]2[CH]3CC[CH](CC3(F)F)N2C(=O)[CH](CC4CCC4)NC(=O)C(F)(F)F)C=N)C(=O)N1;CC1(CC(C(=O)N1)CC(C=N)NC(=O)C2C3CCC(N2C(=O)C(CC4CCC4)NC(=O)C(F)(F)F)CC3(F)F)C","InChI=1S/C26H36F5N5O4/c1-24(2)10-14(20(37)35-24)9-15(12-32)33-21(38)19-17-7-6-16(11-25(17,27)28)36(19)22(39)18(8-13-4-3-5-13)34-23(40)26(29,30)31/h12-19,32H,3-11H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t14-,15-,16-,17-,18+,19-/m0/s1","","2024-08-28","2024-11-29","(1~{S},3~{S},4~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2~{R})-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide","2024-12-04"],["ZV1","N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid","C23 H26 F N5 O6","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1F)CCCCCn1ccc2N=C(N)NC(=O)c21;NC1=Nc2ccn(CCCCCc3ccc(c(F)c3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1;c1cc(c(cc1CCCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C23H26FN5O6/c24-15-12-13(5-6-14(15)20(32)26-17(22(34)35)7-8-18(30)31)4-2-1-3-10-29-11-9-16-19(29)21(33)28-23(25)27-16/h5-6,9,11-12,17H,1-4,7-8,10H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t17-/m1/s1","","2023-04-05","2024-03-15","N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid","2024-03-20"],["G6W","2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide","C14 H17 N5 O2 S","CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2;CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N","InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21)","","2018-08-29","2019-10-11","2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide","2019-10-16"],["XNN","N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine","C22 H26 N8 S","n2c(nc1c(ncnc1c2Nc3ccccc3SC)NCC4CC4)N6CC5(CNC5)C6;CSc1ccccc1Nc2nc(nc3c(NCC4CC4)ncnc23)N5CC6(CNC6)C5;CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6","InChI=1S/C22H26N8S/c1-31-16-5-3-2-4-15(16)27-20-17-18(19(26-13-25-17)24-8-14-6-7-14)28-21(29-20)30-11-22(12-30)9-23-10-22/h2-5,13-14,23H,6-12H2,1H3,(H,24,25,26)(H,27,28,29)","","2011-01-12","2012-01-13","N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine",""],["G6X","2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1\n,2-benzisothiazol-3(2H)-one 1,1-dioxide","C29 H34 N2 O6 S","O=C2c1ccccc1S(=O)(=O)N2CCCCCCN5Cc6c3c(OC4CC(O)C=CC34CC5)c(OC)cc6;COc1ccc2CN(CCCCCCN3C(=O)c4ccccc4[S]3(=O)=O)CC[C]56C=C[CH](O)C[CH]5Oc1c26;COc1ccc2c3c1OC4C3(CCN(C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=CC(C4)O","InChI=1S/C29H34N2O6S/c1-36-23-11-10-20-19-30(17-14-29-13-12-21(32)18-25(29)37-27(23)26(20)29)15-6-2-3-7-16-31-28(33)22-8-4-5-9-24(22)38(31,34)35/h4-5,8-13,21,25,32H,2-3,6-7,14-19H2,1H3/t21-,25-,29-/m0/s1","2-[6-[(4aS,6R,8aS)-4a,5,9,10-tetrahydro-6-hydroxy-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl]-1,2-\nbenzisothiazol-3(2H)-one 1,1-dioxide","2009-07-10","2020-06-17","2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",""],["A1IMZ","Mitoglitazone (R-form)","C19 H18 N2 O4 S","CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2;CCc1ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3","InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m1/s1","(5R)-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxidanylidene-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; Mitoglitazone","2024-08-28","2025-05-02","(5~{R})-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxidanylidene-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","2025-05-07"],["ZV2","2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide","C11 H11 F N3 O S","Nc1scc[n]1CC(=O)Nc2ccc(F)cc2;c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F","InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)","","2023-07-05","2023-07-21","2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide","2023-07-26"],["ZV4","(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid","C9 H12 N O5 P","N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O;c1cc(ccc1CC(C(=O)O)N)P(=O)(O)O","InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1","phosphophenylalanine","2023-04-06","2024-09-27","(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid","2023-04-19"],["A1INA","~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide","C6 H13 N O2","C[CH](O)[CH](C)NC(C)=O;CC(C(C)O)NC(=O)C","InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1","","2024-09-03","2025-10-17","~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide","2025-10-22"],["G6Y","3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid","C24 H24 N4 O3","c1(nc(nc(c1C#CC(c2cc(cc(c2)OC)c3ccc(cc3)C(O)=O)C)N)N)CC;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)c3ccc(cc3)C(O)=O;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O","InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1","","2018-05-11","2018-05-18","3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid","2018-05-23"],["XNO","xanomeline","C14 H23 N3 O S","CN1CCC=C(C1)c1nsnc1OCCCCCC;CCCCCCOc1nsnc1C2=CCCN(C)C2;CCCCCCOc1c(nsn1)C2=CCCN(C2)C","InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3","(5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine","2023-02-03","2023-09-08","(5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine","2023-09-13"],["XNP","Tricyclic NADPH","C21 H30 N7 O17 P3","NC(=O)C1=CN2[CH](CC1)O[CH]3[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)O[CH]23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)N6C=C(CCC6O5)C(=O)N)O)O)OP(=O)(O)O)N","InChI=1S/C21H30N7O17P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(44-46(32,33)34)14(30)10(42-21)5-40-48(37,38)45-47(35,36)39-4-9-13(29)15-20(41-9)27-3-8(18(23)31)1-2-11(27)43-15/h3,6-7,9-11,13-16,20-21,29-30H,1-2,4-5H2,(H2,23,31)(H,35,36)(H,37,38)(H2,22,24,25)(H2,32,33,34)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2016-01-07","2017-01-13","[[(2~{R},3~{R},3~{a}~{R},4~{a}~{R},9~{a}~{R})-7-aminocarbonyl-3-oxidanyl-3,3~{a},4~{a},5,6,9~{a}-hexahydro-2~{H}-furo[1,2][1,3]oxazolo[3,4-~{a}]pyridin-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2017-01-18"],["G6Z","1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide","C15 H17 N5 O2 S","CC(=O)c1nc(NC(=O)C2(N)CCC2)sc1c3cncc(N)c3;CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N","InChI=1S/C15H17N5O2S/c1-8(21)11-12(9-5-10(16)7-18-6-9)23-14(19-11)20-13(22)15(17)3-2-4-15/h5-7H,2-4,16-17H2,1H3,(H,19,20,22)","","2018-08-29","2019-02-15","1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide","2019-02-20"],["ZV5","(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione","C7 H11 N3 O2","O=C1NC(=O)NC21CCCNC2;O=C1NC(=O)[C]2(CCCNC2)N1;C1CC2(CNC1)C(=O)NC(=O)N2","InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m1/s1","","2023-07-05","2023-07-21","(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione","2023-07-26"],["G70","(2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid","C37 H61 N5 O7 S","CC[CH](C)[CH](NC(=O)[CH]1CCCCN1C)C(=O)N[CH](C[CH](OC(C)=O)c2scc(n2)C(=O)N[CH](CC3CCCCC3)C[CH](C)C(O)=O)C(C)C;CCC(C)C(C(=O)NC(CC(c1nc(cs1)C(=O)NC(CC2CCCCC2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","InChI=1S/C37H61N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h21-24,26-28,30-32H,8-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28+,30+,31+,32-/m0/s1","","2020-08-04","2021-07-30","(2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid","2021-08-04"],["ZV7","2-chloro-N-(3-oxopropyl)acetohydrazide","C5 H9 Cl N2 O2","ClCC(=O)N(N)CCC=O;NN(CCC=O)C(=O)CCl;C(CN(C(=O)CCl)N)C=O","InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2","","2023-04-06","2024-09-27","2-chloro-N-(3-oxopropyl)acetohydrazide","2024-04-03"],["XNR","N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide","C25 H31 F2 N3 O3 S","Fc1ccc(cc1)S(=O)(=O)Nc1cc(F)cc(CN2CC(C)N(CC2)C(=O)C2CCCC2)c1C;C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc(N[S](=O)(=O)c4ccc(F)cc4)c3C;Cc1c(cc(cc1NS(=O)(=O)c2ccc(cc2)F)F)CN3CCN(C(C3)C)C(=O)C4CCCC4","InChI=1S/C25H31F2N3O3S/c1-17-15-29(11-12-30(17)25(31)19-5-3-4-6-19)16-20-13-22(27)14-24(18(20)2)28-34(32,33)23-9-7-21(26)8-10-23/h7-10,13-14,17,19,28H,3-6,11-12,15-16H2,1-2H3/t17-/m0/s1","","2022-11-30","2023-02-24","N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide","2023-03-01"],["ZV8","2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine","C11 H17 N3","CC(C)(C)c1ncc2CNCCc2n1;CC(C)(C)c1ncc2CNCCc2n1;CC(C)(C)c1ncc2c(n1)CCNC2","InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3","","2023-07-05","2023-07-21","2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine","2023-07-26"],["XNS","METHYL ESTER OCTYL ALPHA-1O-D-MANNOPYRANNOSIDE","C16 H30 O8","O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO;COC(=O)CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13-,14+,15+,16+/m1/s1","","2012-05-26","2014-09-05","methyl 9-(alpha-D-mannopyranosyloxy)nonanoate",""],["G71","N-({5-[4-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid","C20 H23 N5 O6 S","N2c3nc(CCCCc1sc(C(NC(CCC(=O)O)C(O)=O)=O)cc1)cc3C(N=C2N)=O;NC1=NC(=O)c2cc(CCCCc3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)[nH]c2N1;c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1","","2014-06-04","2016-04-15","N-({5-[4-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid","2016-04-20"],["ZVA","(6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide","C21 H24 F N7 O2","CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC(C)C)n1ncc2cc(cnc21)C#N;CC(C)Nc1cc(ncc1C(=O)NC[CH](F)C(C)(C)O)n2ncc3cc(cnc23)C#N;CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)n2c3c(cc(cn3)C#N)cn2","InChI=1S/C21H24FN7O2/c1-12(2)28-16-6-18(29-19-14(9-27-29)5-13(7-23)8-25-19)24-10-15(16)20(30)26-11-17(22)21(3,4)31/h5-6,8-10,12,17,31H,11H2,1-4H3,(H,24,28)(H,26,30)/t17-/m1/s1","","2023-04-06","2025-02-07","(6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide","2025-02-12"],["A1INQ","3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone","C32 H46 N4 O6","COc1cc2cc(O[CH](C)CCn3cc(CCCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC;CC1CCn2cc(nn2)CCCCOC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)O1)C5CCCCC5","InChI=1S/C32H46N4O6/c1-22-15-17-35-21-25(33-34-35)13-8-10-18-41-32(38)26-14-7-9-16-36(26)31(37)29(23-11-5-4-6-12-23)24-19-27(39-2)30(40-3)28(20-24)42-22/h19-23,26,29H,4-18H2,1-3H3/t22-,26+,29+/m1/s1","","2024-09-11","2025-01-10","","2025-01-15"],["G72","(1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol","C31 H44 F6 O4","FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F;CC(C)(O)CCC[CH](CC#CC(O)(C(F)(F)F)C(F)(F)F)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3;CC12CCCC(=CC=C3CC(CC(C3)O)O)C1CCC2C(CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23+,24+,25+,26-,28+/m0/s1","1,25-dihydroxy-20S-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalciferol; Gemini-0072","2010-07-22","2021-03-12","(1R,3R,7E,17beta)-17-[(6S)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol",""],["XNT","7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H27 Cl N2 O5 S","C[CH](Oc1ccc(CCN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)Oc4ccc(cc4)CCN","InChI=1S/C27H27ClN2O5S/c1-16(35-20-10-6-17(7-11-20)12-13-29)21-4-3-5-22-24(26(27(31)32)30-25(21)22)18-8-9-19(23(28)14-18)15-36(2,33)34/h3-11,14,16,30H,12-13,15,29H2,1-2H3,(H,31,32)/t16-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XNU","N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide","C26 H29 F2 N5 O2 S","CCC(=O)NCC#Cc1cc(F)c(cc1F)OCc1nnc(SCCCCCC)n1c1cnccc1;CCCCCCSc1nnc(COc2cc(F)c(cc2F)C#CCNC(=O)CC)n1c3cccnc3;CCCCCCSc1nnc(n1c2cccnc2)COc3cc(c(cc3F)C#CCNC(=O)CC)F","InChI=1S/C26H29F2N5O2S/c1-3-5-6-7-14-36-26-32-31-24(33(26)20-11-9-12-29-17-20)18-35-23-16-21(27)19(15-22(23)28)10-8-13-30-25(34)4-2/h9,11-12,15-17H,3-7,13-14,18H2,1-2H3,(H,30,34)","","2023-11-06","2024-08-16","N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide","2024-08-21"],["ZVB","2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine","C10 H12 N2","CC(C)c1cc2ncccc2[NH]1;CC(C)c1[nH]c2cccnc2c1;CC(C)c1cc2c([nH]1)cccn2","InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3","","2023-07-05","2023-07-21","2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine","2023-07-26"],["G73","(2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile","C23 H21 N7 O","N#CC=Cc1cc(c(c(c1)C)Nc2nc(c3c(n2)ncn3)Nc4ccc(OC)cc4)C;COc1ccc(Nc2nc(Nc3c(C)cc(C=CC#N)cc3C)nc4nc[nH]c24)cc1;Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)C=CC#N","InChI=1S/C23H21N7O/c1-14-11-16(5-4-10-24)12-15(2)19(14)28-23-29-21-20(25-13-26-21)22(30-23)27-17-6-8-18(31-3)9-7-17/h4-9,11-13H,1-3H3,(H3,25,26,27,28,29,30)/b5-4+","","2012-11-28","2013-01-11","(2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile","2013-01-11"],["G74","ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE","C16 H28 N2 O5","O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)OC(C)(C)C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)OC(C)(C)C","InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1","","2011-07-24","2024-09-27","ethyl (4R)-4-[(tert-butoxycarbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate",""],["A1INU","3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-1-aza-1lambda5-polona-1,18-distannapentacyclo[15.7.0.01,10.010,10.011,16]eicosane-2,12-quinone","C31 H44 N4 O6","COc1cc2cc(OC[CH](C)Cn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC;CC1Cn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)OC1)C5CCCCC5","InChI=1S/C31H44N4O6/c1-21-18-34-19-24(32-33-34)12-9-15-40-31(37)25-13-7-8-14-35(25)30(36)28(22-10-5-4-6-11-22)23-16-26(38-2)29(39-3)27(17-23)41-20-21/h16-17,19,21-22,25,28H,4-15,18,20H2,1-3H3/t21-,25+,28+/m1/s1","","2024-09-11","2025-01-10","","2025-01-15"],["ZVD","N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide","C18 H24 F2 N6 O2","Fc1cncnc1Nc1cc(NC(C)C)c(cn1)C(=O)NCC(F)C(C)(C)O;CC(C)Nc1cc(Nc2ncncc2F)ncc1C(=O)NC[CH](F)C(C)(C)O;CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)Nc2c(cncn2)F","InChI=1S/C18H24F2N6O2/c1-10(2)25-13-5-15(26-16-12(19)7-21-9-24-16)22-6-11(13)17(27)23-8-14(20)18(3,4)28/h5-7,9-10,14,28H,8H2,1-4H3,(H,23,27)(H2,21,22,24,25,26)/t14-/m1/s1","","2023-04-06","2025-02-07","N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide","2025-02-12"],["XNV","ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate","C26 H31 N5 O7","O=C(NC1=CC=CN(C1=O)C(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)CC#C)c3noc(c3)C;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)N2C=CC=C(NC(=O)c3cc(C)on3)C2=O;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C","InChI=1S/C26H31N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8,13-14,17-18,21H,5,7,9-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/t17-,18+,21-/m0/s1","AG7404, bound form","2011-01-14","2024-09-27","ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate",""],["ZVE","(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine","C10 H14 F3 N3","Cn1cc(nc1C1CNCCC1)C(F)(F)F;Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F;Cn1cc(nc1C2CCCNC2)C(F)(F)F","InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1","","2023-07-05","2023-07-21","(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine","2023-07-26"],["A1INV","3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone","C31 H44 N4 O6","COc1cc2cc(O[CH](C)CCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC;CC1CCn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)O1)C5CCCCC5","InChI=1S/C31H44N4O6/c1-21-14-16-34-20-24(32-33-34)12-9-17-40-31(37)25-13-7-8-15-35(25)30(36)28(22-10-5-4-6-11-22)23-18-26(38-2)29(39-3)27(19-23)41-21/h18-22,25,28H,4-17H2,1-3H3/t21-,25+,28+/m1/s1","","2024-09-11","2025-01-10","","2025-01-15"],["G75","ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE","C28 H35 N3 O6","O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C28H35N3O6/c1-2-36-25(32)14-13-23(18-22-15-16-29-26(22)33)30-27(34)24(17-20-9-5-3-6-10-20)31-28(35)37-19-21-11-7-4-8-12-21/h3-12,22-24H,2,13-19H2,1H3,(H,29,33)(H,30,34)(H,31,35)/t22-,23+,24-/m0/s1","","2011-07-24","2024-09-27","ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate",""],["XNW","(1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID","C15 H18 O7","O=C1C(O)C(O)CC(O)(C(=O)O)C1Cc2ccc(OC)cc2;COc1ccc(C[CH]2C(=O)[CH](O)[CH](O)C[C]2(O)C(O)=O)cc1;COc1ccc(cc1)CC2C(=O)C(C(CC2(C(=O)O)O)O)O","InChI=1S/C15H18O7/c1-22-9-4-2-8(3-5-9)6-10-12(17)13(18)11(16)7-15(10,21)14(19)20/h2-5,10-11,13,16,18,21H,6-7H2,1H3,(H,19,20)/t10-,11+,13-,15+/m0/s1","(2R)-2-METHOXYBENZYL-3-DEHYDROQUINIC ACID","2010-04-08","2020-06-17","(1R,2R,4S,5R)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid",""],["ZVG","6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide","C19 H24 F N7 O2","CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC(C)C;CC(C)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[CH](F)C(C)(C)O;CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)Nc2ncc(cn2)C#N","InChI=1S/C19H24FN7O2/c1-11(2)26-14-5-16(27-18-24-7-12(6-21)8-25-18)22-9-13(14)17(28)23-10-15(20)19(3,4)29/h5,7-9,11,15,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25,26,27)/t15-/m1/s1","","2023-04-06","2025-02-07","6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide","2025-02-12"],["XNX","4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid","C21 H11 Cl2 F N2 O3","O=C(O)c1ccc(cc1)c1nn(c2cccc(F)c21)C(=O)c1c(Cl)cccc1Cl;OC(=O)c1ccc(cc1)c2nn(C(=O)c3c(Cl)cccc3Cl)c4cccc(F)c24;c1cc2c(c(c1)F)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O","InChI=1S/C21H11Cl2FN2O3/c22-13-3-1-4-14(23)17(13)20(27)26-16-6-2-5-15(24)18(16)19(25-26)11-7-9-12(10-8-11)21(28)29/h1-10H,(H,28,29)","","2022-11-30","2023-02-24","4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid","2023-03-01"],["G76","[2-(1-heptyl-1H-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate)","C12 H21 N2 O6 P2","[O-]P([O-])(=O)C(P([O-])([O-])=O)C[n+]1ccn(c1)CCCCCCC;CCCCCCCn1cc[n+](CC([P]([O-])([O-])=O)[P]([O-])([O-])=O)c1;CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]","InChI=1S/C12H24N2O6P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(21(15,16)17)22(18,19)20/h8-9,11-12H,2-7,10H2,1H3,(H3-,15,16,17,18,19,20)/p-3","","2015-02-10","2015-10-23","[2-(1-heptyl-1H-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate)","2015-10-28"],["A1INY","3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone","C32 H46 N4 O6","COc1cc2cc(O[CH](C)CCn3cc(C[CH](C)COC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC;CC1CCn2cc(nn2)CC(COC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)O1)C5CCCCC5)C","InChI=1S/C32H46N4O6/c1-21-16-25-19-35(34-33-25)15-13-22(2)42-28-18-24(17-27(39-3)30(28)40-4)29(23-10-6-5-7-11-23)31(37)36-14-9-8-12-26(36)32(38)41-20-21/h17-19,21-23,26,29H,5-16,20H2,1-4H3/t21-,22-,26-,29-/m0/s1","","2024-09-11","2025-01-10","","2025-01-15"],["ZVH","(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid","C10 H12 O2 S","O=C(O)C1CCCC1c1ccsc1;OC(=O)[CH]1CCC[CH]1c2cscc2;c1cscc1C2CCCC2C(=O)O","InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m0/s1","","2023-07-05","2023-07-21","(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid","2023-07-26"],["A1INZ","2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone","C31 H44 N4 O6","COc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC;CC1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)C(C(=O)N4CCCCC4C(=O)OC1)C5CCCCC5","InChI=1S/C31H44N4O6/c1-21-16-24-19-34(33-32-24)13-9-15-40-27-18-23(17-26(38-2)29(27)39-3)28(22-10-5-4-6-11-22)30(36)35-14-8-7-12-25(35)31(37)41-20-21/h17-19,21-22,25,28H,4-16,20H2,1-3H3/t21-,25+,28+/m1/s1","","2024-09-11","2025-01-10","","2025-01-15"],["XNY","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3~{H}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C11 H15 N4 O7 P","c3cc2c(ncn2C1OC(C(C1O)O)COP(=O)(O)O)c(N)n3;Nc1nccc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1cnc(c2c1n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C11H15N4O7P/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1","","2020-12-22","2021-04-30","1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine","2021-05-05"],["G77","(1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","C33 H40 F2 N4 O7 S2","Fc1cc(cc(F)c1)CC(NC(=O)OC1CC2CC3C(O2)OCC31)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3C[CH]4[CH](OC[CH]24)O3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CC3CC4C2COC4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C33H40F2N4O7S2/c1-17(2)14-39(48(42,43)23-5-6-26-30(13-23)47-32(37-26)36-21-3-4-21)15-28(40)27(9-18-7-19(34)10-20(35)8-18)38-33(41)46-29-12-22-11-24-25(29)16-44-31(24)45-22/h5-8,10,13,17,21-22,24-25,27-29,31,40H,3-4,9,11-12,14-16H2,1-2H3,(H,36,37)(H,38,41)/t22-,24+,25+,27+,28-,29-,31+/m1/s1","","2022-01-24","2022-02-25","(1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","2022-03-02"],["A1IOA","(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione","C30 H43 N O7","COc1cc2cc(OCCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC;COc1cc2cc(c1OC)OCCCOCC=CCCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4","InChI=1S/C30H43NO7/c1-34-25-20-23-21-26(28(25)35-2)37-19-11-17-36-16-9-4-10-18-38-30(33)24-14-7-8-15-31(24)29(32)27(23)22-12-5-3-6-13-22/h4,9,20-22,24,27H,3,5-8,10-19H2,1-2H3/b9-4+/t24-,27-/m0/s1","","2024-09-12","2025-01-10","(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione","2025-01-15"],["XNZ","(11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one","C30 H29 Cl N2 O4","Clc2cc(OCc1ccccc1)ccc2C4C5=C(Nc3c(cccc3O)N4C(=O)C)CC(CC5=O)(C)C;CC(=O)N1[CH](c2ccc(OCc3ccccc3)cc2Cl)C4=C(CC(C)(C)CC4=O)Nc5c(O)cccc15;CC(=O)N1c2cccc(c2NC3=C(C1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O","InChI=1S/C30H29ClN2O4/c1-18(34)33-24-10-7-11-25(35)28(24)32-23-15-30(2,3)16-26(36)27(23)29(33)21-13-12-20(14-22(21)31)37-17-19-8-5-4-6-9-19/h4-14,29,32,35H,15-17H2,1-3H3/t29-/m0/s1","","2009-03-23","2011-06-04","(11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one",""],["G79","(3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C32 H44 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2CCCC3OC4OCCC4C23)Cc5ccccc5;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCC[CH]4O[CH]5OCC[CH]5[CH]34;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCCC3C2C4CCOC4O3)O)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C32H44N2O8S/c1-21(2)19-34(43(37,38)24-14-12-23(39-3)13-15-24)20-27(35)26(18-22-8-5-4-6-9-22)33-32(36)42-29-11-7-10-28-30(29)25-16-17-40-31(25)41-28/h4-6,8-9,12-15,21,25-31,35H,7,10-11,16-20H2,1-3H3,(H,33,36)/t25-,26+,27-,28-,29+,30-,31+/m1/s1","","2013-04-26","2013-08-30","(3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2013-09-04"],["ZVJ","Fenoterol","C17 H21 N O4","Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1;C[CH](Cc1ccc(O)cc1)NC[CH](O)c2cc(O)cc(O)c2;CC(Cc1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O","InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1","","2023-04-06","2023-10-13","5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol","2023-10-18"],["XO0","7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid","C37 H32 N4 O7","C[CH](OC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c4cccc5c4[nH]c(C(O)=O)c5c6ccc(CN7CCOCC7)nc6;CC(c1cccc2c1[nH]c(c2c3ccc(nc3)CN4CCOCC4)C(=O)O)OC(=O)c5ccc(cc5)CN6C(=O)c7ccccc7C6=O","InChI=1S/C37H32N4O7/c1-22(48-37(46)24-11-9-23(10-12-24)20-41-34(42)28-5-2-3-6-29(28)35(41)43)27-7-4-8-30-31(33(36(44)45)39-32(27)30)25-13-14-26(38-19-25)21-40-15-17-47-18-16-40/h2-14,19,22,39H,15-18,20-21H2,1H3,(H,44,45)/t22-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["G7A","(5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid","C16 H16 F3 N3 O2","O=C(O)c1cnn3c1NC(c2ccc(CC)cc2)CC3C(F)(F)F;CCc1ccc(cc1)[CH]2C[CH](n3ncc(C(O)=O)c3N2)C(F)(F)F;CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)O)N2)C(F)(F)F","InChI=1S/C16H16F3N3O2/c1-2-9-3-5-10(6-4-9)12-7-13(16(17,18)19)22-14(21-12)11(8-20-22)15(23)24/h3-6,8,12-13,21H,2,7H2,1H3,(H,23,24)/t12-,13+/m1/s1","","2015-09-20","2016-01-15","(5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid","2016-01-20"],["A1IOB","(2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione","C30 H45 N O7","COc1cc2cc(OCCCOCCCCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC;COc1cc2cc(c1OC)OCCCOCCCCCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4","InChI=1S/C30H45NO7/c1-34-25-20-23-21-26(28(25)35-2)37-19-11-17-36-16-9-4-10-18-38-30(33)24-14-7-8-15-31(24)29(32)27(23)22-12-5-3-6-13-22/h20-22,24,27H,3-19H2,1-2H3/t24-,27-/m0/s1","","2024-09-12","2025-01-10","(2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione","2025-01-15"],["ZVK","ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate","C12 H18 N2 S","CNC(/SCC)=N/c1ccc(cc1)CC;CCSC(NC)=Nc1ccc(CC)cc1;CCc1ccc(cc1)N=C(NC)SCC","InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)","","2023-07-05","2023-07-21","ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate","2023-07-26"],["G7B","2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide","C9 H13 N3 O2 S","CC(=O)c1csc(NC(=O)C(C)(C)N)n1;CC(=O)c1csc(n1)NC(=O)C(C)(C)N","InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)","","2018-08-29","2019-02-15","2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide","2019-02-20"],["XO1","4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile","C27 H27 F4 N5 O2","c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(C#N)c(c3)F)cc(c4)OC(F)(F)F;CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(C#N)c(F)c3)c4cccc(OC(F)(F)F)c4;CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(c(c3)F)C#N)c4cccc(c4)OC(F)(F)F","InChI=1S/C27H27F4N5O2/c1-2-3-5-22-16-36(21-6-4-7-24(11-21)38-27(29,30)31)26(37)17-34(22)15-23-13-33-18-35(23)14-19-8-9-20(12-32)25(28)10-19/h4,6-11,13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1","","2020-12-22","2022-11-04","4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile","2022-11-09"],["ZVM","(2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione","C22 H21 N3 O2","O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1;CN1c2ccccc2C(=O)[CH]3C(=O)N([CH](N=C13)C4CCC4)c5ccccc5;CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c4ccccc4)C5CCC5","InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1","","2023-04-06","2023-12-22","(2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione","2023-12-27"],["A1IOF","(2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione","C31 H45 N O8","COc1cc2cc(OC[CH](C)OCC=C[CH](O)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC;CC1COc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OC(C(C=CCO1)O)C)C4CCCCC4","InChI=1S/C31H45NO8/c1-20-19-39-27-18-23(17-26(36-3)29(27)37-4)28(22-11-6-5-7-12-22)30(34)32-15-9-8-13-24(32)31(35)40-21(2)25(33)14-10-16-38-20/h10,14,17-18,20-22,24-25,28,33H,5-9,11-13,15-16,19H2,1-4H3/b14-10+/t20-,21-,24+,25+,28+/m1/s1","","2024-09-12","2025-01-10","(2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione","2025-01-15"],["XO3","5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one","C15 H18 N2 O2","O=C1C=C(ON1)C3CCNC(Cc2ccccc2)C3;O=C1NOC(=C1)[CH]2CCN[CH](C2)Cc3ccccc3;c1ccc(cc1)CC2CC(CCN2)C3=CC(=O)NO3","InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1","","2013-12-10","2014-09-05","5-[(2R,4S)-2-benzylpiperidin-4-yl]-1,2-oxazol-3(2H)-one","2014-06-18"],["ZVN","2-(piperazin-1-yl)-1,3-benzothiazole","C11 H13 N3 S","c1cccc2sc(nc12)N1CCNCC1;C1CN(CCN1)c2sc3ccccc3n2;c1ccc2c(c1)nc(s2)N3CCNCC3","InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2","","2023-07-05","2023-07-21","2-(piperazin-1-yl)-1,3-benzothiazole","2023-07-26"],["G7C","[(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","C23 H47 N O24 P2","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]([CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)CO[P](O)(=O)OC[CH](O)C(O)C(O)CO;CC(=O)NC1C(C(C(OC1OC(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)CO)O)O","InChI=1S/C23H47NO24P2/c1-9(28)24-17-21(38)20(37)16(4-27)47-23(17)48-22(14(33)7-45-49(39,40)43-5-12(31)18(35)10(29)2-25)15(34)8-46-50(41,42)44-6-13(32)19(36)11(30)3-26/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10?,11?,12-,13+,14+,15-,16-,17-,18+,19?,20-,21-,22+,23+/m1/s1","","2022-01-27","2022-08-26","[(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","2022-08-31"],["A1IOQ","7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione","C9 H11 Cl N4 O2","CN1C(=O)N(C)c2ncn(CCCl)c2C1=O;CN1c2c(n(cn2)CCCl)C(=O)N(C1=O)C","InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3","","2024-09-16","2024-09-20","7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione","2024-09-25"],["XO4","(5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","C26 H28 F4 N4 O2","C2C(=O)N(c1cc(ccc1)OC(F)(F)F)CC(CCCC)N2Cc3n(cnc3)Cc4ccc(F)cc4;CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(F)cc3)c4cccc(OC(F)(F)F)c4;CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)F)c4cccc(c4)OC(F)(F)F","InChI=1S/C26H28F4N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1","","2020-12-22","2022-11-04","(5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","2022-11-09"],["G7D","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid","C19 H19 N7 O7","C2(c3nc(CNc1cc(c(C(NC(CCC(=O)O)C(O)=O)=O)cc1)O)cnc3N=C(N)N2)=O;NC1=Nc2ncc(CNc3ccc(c(O)c3)C(=O)N[CH](CCC(O)=O)C(O)=O)nc2C(=O)N1;c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H19N7O7/c20-19-25-15-14(17(31)26-19)23-9(7-22-15)6-21-8-1-2-10(12(27)5-8)16(30)24-11(18(32)33)3-4-13(28)29/h1-2,5,7,11,21,27H,3-4,6H2,(H,24,30)(H,28,29)(H,32,33)(H3,20,22,25,26,31)/t11-/m0/s1","","2018-05-11","2018-05-18","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid","2018-05-23"],["ZVO","5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine","C8 H8 N6","CN1N=C(N)c2c[nH]c3ncnc1c23;CN1c2c3c(c[nH]c3ncn2)C(=N1)N","InChI=1S/C8H8N6/c1-14-8-5-4(6(9)13-14)2-10-7(5)11-3-12-8/h2-3H,1H3,(H2,9,13)(H,10,11,12)","","2015-09-22","2016-09-30","","2016-10-05"],["ZVP","7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide","C26 H24 N4 O5 S","C6Oc1c(cc(cc1C(NCc2cnccc2)=O)c5c4c(C(C=C(N3CCNCC3)O4)=O)sc5)OC6;O=C(NCc1cccnc1)c2cc(cc3OCCOc23)c4csc5C(=O)C=C(Oc45)N6CCNCC6;c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6","InChI=1S/C26H24N4O5S/c31-20-12-22(30-6-4-27-5-7-30)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(32)29-14-16-2-1-3-28-13-16/h1-3,10-13,15,27H,4-9,14H2,(H,29,32)","","2020-06-01","2020-07-31","7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide","2020-08-05"],["G7E","~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide","C21 H25 N5 O4 S","CC(=O)c1nc(NC(=O)C2CNCCN2)sc1c3ccc(cc3)C(=O)N4CCOCC4;CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4","InChI=1S/C21H25N5O4S/c1-13(27)17-18(31-21(24-17)25-19(28)16-12-22-6-7-23-16)14-2-4-15(5-3-14)20(29)26-8-10-30-11-9-26/h2-5,16,22-23H,6-12H2,1H3,(H,24,25,28)","","2018-08-29","2019-02-15","~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide","2019-02-20"],["XO5","(1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione","C22 H32 F N3 O3 S","Fc1cc2CN3CCN(C(=O)CC4CC4)C(CCCCCS(=O)(=O)Nc(c1)c2C)C3;Cc1c2C[N]3CCN([CH](CCCCC[S](=O)(=O)Nc1cc(F)c2)C3)C(=O)CC4CC4;Cc1c2cc(cc1NS(=O)(=O)CCCCCC3CN(C2)CCN3C(=O)CC4CC4)F","InChI=1S/C22H32FN3O3S/c1-16-18-12-19(23)13-21(16)24-30(28,29)10-4-2-3-5-20-15-25(14-18)8-9-26(20)22(27)11-17-6-7-17/h12-13,17,20,24H,2-11,14-15H2,1H3/t20-/m0/s1","","2022-11-30","2023-02-24","(1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione","2023-03-01"],["XO7","(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","C25 H26 Br F3 N4 O2","c1ccc(cc1OC(F)(F)F)N2CC(CCC)N(CC2=O)Cc4cncn4Cc3ccc(Br)cc3;CCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Br)cc3)c4cccc(OC(F)(F)F)c4;CCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Br)c4cccc(c4)OC(F)(F)F","InChI=1S/C25H26BrF3N4O2/c1-2-4-21-15-33(20-5-3-6-23(11-20)35-25(27,28)29)24(34)16-31(21)14-22-12-30-17-32(22)13-18-7-9-19(26)10-8-18/h3,5-12,17,21H,2,4,13-16H2,1H3/t21-/m0/s1","","2020-12-22","2022-11-04","(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one","2022-11-09"],["A1IOS","stanozolol","C21 H32 N2 O","C[C]1(O)CC[CH]2[CH]3CC[CH]4Cc5n[nH]cc5C[C]4(C)[CH]3CC[C]12C;CC12CCC3C(C1CCC2(C)O)CCC4C3(Cc5c[nH]nc5C4)C","InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1","","2024-09-16","2025-08-08","","2025-08-13"],["G7F","N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide","C12 H16 N2 O S","CN(Cc1sc2CCCCc2n1)C(=O)C=C;CN(Cc1nc2c(s1)CCCC2)C(=O)C=C","InChI=1S/C12H16N2OS/c1-3-12(15)14(2)8-11-13-9-6-4-5-7-10(9)16-11/h3H,1,4-8H2,2H3","","2020-08-04","2024-09-27","~{N}-methyl-~{N}-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide","2022-06-22"],["ZVR","N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid","C21 H22 F N5 O6","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1F)CCCn1ccc2N=C(N)NC(=O)c21;NC1=Nc2ccn(CCCc3ccc(c(F)c3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1;c1cc(c(cc1CCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H22FN5O6/c22-13-10-11(2-1-8-27-9-7-14-17(27)19(31)26-21(23)25-14)3-4-12(13)18(30)24-15(20(32)33)5-6-16(28)29/h3-4,7,9-10,15H,1-2,5-6,8H2,(H,24,30)(H,28,29)(H,32,33)(H3,23,25,26,31)/t15-/m0/s1","","2023-04-06","2024-03-15","N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid","2024-03-20"],["A1IOV","7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione","C20 H32 N6 O5","CC(C)C[CH](N)C(=O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(=O)N(C)C(=O)c23;CC(C)CC(C(=O)N1CC(CC(C(C1)n2cnc3c2C(=O)N(C(=O)N3C)C)(C)O)O)N","InChI=1S/C20H32N6O5/c1-11(2)6-13(21)17(28)25-8-12(27)7-20(3,31)14(9-25)26-10-22-16-15(26)18(29)24(5)19(30)23(16)4/h10-14,27,31H,6-9,21H2,1-5H3/t12-,13-,14+,20+/m0/s1","","2024-09-17","2024-09-27","7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione","2024-10-02"],["ZVS","N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE","C21 H20 F4 N4 O2 S","FC(F)(F)c1ccccc1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3C)C;C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccc(F)cc3)n2C;CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F","InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30)/t13-/m0/s1","","2013-03-22","2014-09-05","N-[(1S)-1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide","2013-05-15"],["G7G","Genistein-7-O-glucuronide","C21 H18 O11","O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2cc(O)c3c(OC=C(C3=O)c4ccc(O)cc4)c2;c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O","InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1","","2015-03-17","2015-10-16","(2S,3S,4S,5R,6S)-6-[3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2015-10-21"],["XO8","2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one","C30 H34 F2 N8 O3 S","O=C(Cn1ncc(n1)c1cc(F)c(OCc2nnc(SC3CCCCC3)n2c2cccnc2)cc1F)N1CC(C)OC(C)C1;C[CH]1CN(C[CH](C)O1)C(=O)Cn2ncc(n2)c3cc(F)c(OCc4nnc(SC5CCCCC5)n4c6cccnc6)cc3F;CC1CN(CC(O1)C)C(=O)Cn2ncc(n2)c3cc(c(cc3F)OCc4nnc(n4c5cccnc5)SC6CCCCC6)F","InChI=1S/C30H34F2N8O3S/c1-19-15-38(16-20(2)43-19)29(41)17-39-34-14-26(37-39)23-11-25(32)27(12-24(23)31)42-18-28-35-36-30(44-22-8-4-3-5-9-22)40(28)21-7-6-10-33-13-21/h6-7,10-14,19-20,22H,3-5,8-9,15-18H2,1-2H3/t19-,20+","","2023-11-06","2024-08-16","2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one","2024-08-21"],["XO9","1,3-benzothiazole-2(3H)-thione","C7 H5 N S2","S=C1Nc2ccccc2S1;S=C1Nc2ccccc2S1;c1ccc2c(c1)NC(=S)S2","InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)","2-mercaptobenzothiazole, thione tautomer","2022-12-02","2023-11-02","1,3-benzothiazole-2(3H)-thione","2023-03-01"],["A1IOW","(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane","C18 H26 O2","CC(C)[C]12CC[C](C)(O1)[CH](C2)OCc3ccccc3C;Cc1ccccc1COC2CC3(CCC2(O3)C)C(C)C","InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16?,17-,18+/m0/s1","","2024-09-17","2025-05-09","(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane","2025-05-14"],["ZVT","2-chloro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide","C20 H20 Cl F N4 O2 S","Clc1ccccc1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3C)C;C[CH](NC(=O)c1ccccc1Cl)c2nnc(SCCOc3ccc(F)cc3)n2C;CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl","InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)/t13-/m0/s1","","2013-03-22","2014-09-05","2-chloro-N-[(1S)-1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide","2013-05-15"],["G7H","(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide","C20 H23 N5 O3 S","CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O;CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)N4CCCC4=O","InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1","","2018-08-29","2019-02-15","(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide","2019-02-20"],["G7I","Brigimadlin","C31 H25 Cl2 F N4 O3","Cc1c(ccc2c3C[CH]4[CH]([CH](c5cccc(Cl)c5F)[C]6(N4CC7CC7)C(=O)Nc8cc(Cl)ccc68)n3nc12)C(O)=O;Cc1c(ccc2c1nn3c2CC4C3C(C5(N4CC6CC6)c7ccc(cc7NC5=O)Cl)c8cccc(c8F)Cl)C(=O)O","InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1","","2023-07-20","2024-09-27","","2024-10-02"],["XOA","(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one","C25 H28 Br Cl N4 O","c4cc(N1C(CN(C(CCCC)C1)Cc2n(cnc2)Cc3ccc(Br)cc3)=O)cc(c4)Cl;CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Br)cc3)c4cccc(Cl)c4;CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Br)c4cccc(c4)Cl","InChI=1S/C25H28BrClN4O/c1-2-3-6-23-16-31(22-7-4-5-21(27)12-22)25(32)17-29(23)15-24-13-28-18-30(24)14-19-8-10-20(26)11-9-19/h4-5,7-13,18,23H,2-3,6,14-17H2,1H3/t23-/m0/s1","","2020-12-22","2022-11-04","(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one","2022-11-09"],["ZVU","N-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide","C20 H18 F4 N4 O S","FC(F)(F)c1ccccc1C(=O)NC(c3nnc(SCc2ccc(F)cc2)n3C)C;C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCc3ccc(F)cc3)n2C;CC(c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F","InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29)/t12-/m0/s1","","2013-03-22","2014-09-05","N-[(1S)-1-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl]-2-(trifluoromethyl)benzamide","2013-05-15"],["A1IOZ","7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione","C22 H28 N6 O5","CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O)c4cccc(CN)c4)c2C1=O;CC1(CC(CN(CC1n2cnc3c2C(=O)N(C(=O)N3C)C)C(=O)c4cccc(c4)CN)O)O","InChI=1S/C22H28N6O5/c1-22(33)8-15(29)10-27(19(30)14-6-4-5-13(7-14)9-23)11-16(22)28-12-24-18-17(28)20(31)26(3)21(32)25(18)2/h4-7,12,15-16,29,33H,8-11,23H2,1-3H3/t15-,16+,22+/m1/s1","","2024-09-19","2024-09-27","7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione","2024-10-02"],["A1IPA","(2~{R},3~{R},4~{R},5~{S})-2-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","C8 H17 N O5","OCC[C]1(CO)NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)(CCO)CO)O)O)O","InChI=1S/C8H17NO5/c10-2-1-8(4-11)7(14)6(13)5(12)3-9-8/h5-7,9-14H,1-4H2/t5-,6+,7-,8+/m0/s1","","2024-09-20","2025-09-26","(2~{R},3~{R},4~{R},5~{S})-2-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","2025-10-01"],["XOB","1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione","C15 H12 N2 O5 S","ON1C(=O)N(C[CH]2COc3ccccc3O2)c4ccsc4C1=O;c1ccc2c(c1)OCC(O2)CN3c4ccsc4C(=O)N(C3=O)O","InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2/t9-/m1/s1","","2023-06-08","2024-02-16","1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione","2024-02-21"],["ZVV","N-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide","C22 H23 F3 N4 O2 S","FC(F)(F)c1ccccc1C(=O)NC(c3nnc(SCCOc2ccccc2C)n3C)C;C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccccc3C)n2C;Cc1ccccc1OCCSc2nnc(n2C)C(C)NC(=O)c3ccccc3C(F)(F)F","InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30)/t15-/m0/s1","","2013-03-22","2014-09-05","N-[(1S)-1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide","2013-05-15"],["G7J","5-hydroxy-1,2-dihydro-6H-indol-6-one","C8 H7 N O2","N1CC=C2C=C(O)C(C=C12)=O;OC1=CC2=CCNC2=CC1=O;C1C=C2C=C(C(=O)C=C2N1)O","InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,9-10H,2H2","","2018-05-11","2024-09-27","5-hydroxy-1,2-dihydro-6H-indol-6-one","2019-03-20"],["XOC","N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide","C19 H21 N3 O S","O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24;c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4","InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)","FD44","2015-07-27","2021-03-01","N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide","2017-01-25"],["G7K","trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol","C24 H23 F3 N6 O2 S","Fc1ccc(cc1)C(F)(F)c2nc(nc(c2)Nc3nc4ccc(nc4s3)OC)NC5CCC(O)CC5;COc1ccc2nc(Nc3cc(nc(N[CH]4CC[CH](O)CC4)n3)C(F)(F)c5ccc(F)cc5)sc2n1;COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F","InChI=1S/C24H23F3N6O2S/c1-35-20-11-10-17-21(33-20)36-23(29-17)32-19-12-18(24(26,27)13-2-4-14(25)5-3-13)30-22(31-19)28-15-6-8-16(34)9-7-15/h2-5,10-12,15-16,34H,6-9H2,1H3,(H2,28,29,30,31,32)/t15-,16-","","2013-07-10","2014-01-17","trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol","2014-01-22"],["A1IPB","(2R,3R,4R,5S)-2-[2-(1-adamantyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","C18 H31 N O4","OC[C]1(CCC23CC4CC(CC(C4)C2)C3)NC[CH](O)[CH](O)[CH]1O;C1C2CC3CC1CC(C2)(C3)CCC4(C(C(C(CN4)O)O)O)CO","InChI=1S/C18H31NO4/c20-10-18(16(23)15(22)14(21)9-19-18)2-1-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-16,19-23H,1-10H2/t11-,12+,13-,14-,15+,16-,17+,18+/m0/s1","","2024-09-20","2025-09-26","(2~{R},3~{R},4~{R},5~{S})-2-[2-(1-adamantyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","2025-10-01"],["ZVW","N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide","C27 H23 F5 N4 O2 S","FC(F)(F)c1ccccc1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3Cc4ccc(F)cc4)C;C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccc(F)cc3)n2Cc4ccc(F)cc4;CC(c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F","InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37)/t17-/m0/s1","","2013-03-22","2014-09-05","N-{(1S)-1-[4-(4-fluorobenzyl)-5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}-2-(trifluoromethyl)benzamide","2013-05-15"],["G7L","N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide","C9 H9 F3 N2 O S","CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C;CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C","InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3","","2020-08-04","2022-06-17","~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide","2022-06-22"],["ZVX","2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide","C20 H19 F3 N4 O2 S","Fc1cccc(F)c1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3C)C;C[CH](NC(=O)c1c(F)cccc1F)c2nnc(SCCOc3ccc(F)cc3)n2C;CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F","InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28)/t12-/m0/s1","","2013-03-22","2014-09-05","2,6-difluoro-N-[(1S)-1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide","2013-05-15"],["A1IPE","Oxaziclomefone","C20 H19 Cl2 N O2","CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3;CC1=C(C(=O)N(CO1)C(C)(C)c2cc(cc(c2)Cl)Cl)c3ccccc3","InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3","3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one","2024-09-20","2025-05-09","3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one","2025-05-14"],["XOD","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol","C23 H33 N5 O7","N(C1C(O)C(C(C(C1)(CO)O)O)O)CCCCCCNc3c(cc(c2ncccn2)cc3)[N+](=O)[O-];OC[C]1(O)C[CH](NCCCCCCNc2ccc(cc2[N+]([O-])=O)c3ncccn3)[CH](O)[CH](O)[CH]1O;c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCNC3CC(C(C(C3O)O)O)(CO)O","InChI=1S/C23H33N5O7/c29-14-23(33)13-17(19(30)20(31)21(23)32)25-9-4-2-1-3-8-24-16-7-6-15(12-18(16)28(34)35)22-26-10-5-11-27-22/h5-7,10-12,17,19-21,24-25,29-33H,1-4,8-9,13-14H2/t17-,19-,20+,21-,23-/m0/s1","","2020-12-22","2021-10-01","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol","2021-10-06"],["ZVY","2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid","C25 H24 N4 O3","O=C(O)COc2cc(c(c1ccc(C#N)cc1)cc2)CN4CCN(c3ncccc3)CC4;OC(=O)COc1ccc(c(CN2CCN(CC2)c3ccccn3)c1)c4ccc(cc4)C#N;c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O","InChI=1S/C25H24N4O3/c26-16-19-4-6-20(7-5-19)23-9-8-22(32-18-25(30)31)15-21(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31)","","2013-03-22","2013-05-10","[(4'-cyano-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}biphenyl-4-yl)oxy]acetic acid","2013-05-15"],["G7M","N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE","C11 H17 N5 O8 P","O=P(O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O;C[n+]1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-09-27","7-methylguanosine 5'-(dihydrogen phosphate)",""],["XOE","1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide","C27 H24 F4 N6 O3 S","O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2c2nc(ncc2)NC2CC(F)CNC2)c(F)c1F;F[CH]1CNC[CH](C1)Nc2nccc(n2)c3cccnc3Oc4cc(F)c(N[S](=O)(=O)Cc5ccccc5)c(F)c4F;c1ccc(cc1)CS(=O)(=O)Nc2c(cc(c(c2F)F)Oc3c(cccn3)c4ccnc(n4)NC5CC(CNC5)F)F","InChI=1S/C27H24F4N6O3S/c28-17-11-18(14-32-13-17)35-27-34-10-8-21(36-27)19-7-4-9-33-26(19)40-22-12-20(29)25(24(31)23(22)30)37-41(38,39)15-16-5-2-1-3-6-16/h1-10,12,17-18,32,37H,11,13-15H2,(H,34,35,36)","","2023-11-06","2024-05-24","1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide","2024-05-29"],["G7N","(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide","C14 H17 N7 O2 S","C[CH](NC(N)=N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)NC(=N)N","InChI=1S/C14H17N7O2S/c1-6(19-13(16)17)12(23)21-14-20-10(7(2)22)11(24-14)8-3-9(15)5-18-4-8/h3-6H,15H2,1-2H3,(H4,16,17,19)(H,20,21,23)/t6-/m1/s1","","2018-08-30","2019-02-15","(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide","2019-02-20"],["ZVZ","2-[4-(4-CYANOPHENYL)-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}PHENOXY]-N-METHYLACETAMIDE","C26 H27 N5 O2","N#Cc4ccc(c1c(cc(OCC(=O)NC)cc1)CN3CCN(c2ncccc2)CC3)cc4;CNC(=O)COc1ccc(c(CN2CCN(CC2)c3ccccn3)c1)c4ccc(cc4)C#N;CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N","InChI=1S/C26H27N5O2/c1-28-26(32)19-33-23-9-10-24(21-7-5-20(17-27)6-8-21)22(16-23)18-30-12-14-31(15-13-30)25-4-2-3-11-29-25/h2-11,16H,12-15,18-19H2,1H3,(H,28,32)","","2013-03-22","2014-09-05","2-[(4'-cyano-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}biphenyl-4-yl)oxy]-N-methylacetamide","2013-05-15"],["A1IPQ","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-(trifluoromethyloxy)indazol-3-yl]-3-phenylmethoxy-benzoic acid","C30 H17 Cl F6 N2 O5","OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(OC(F)(F)F)cc35;c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)OC(F)(F)F)C(=O)O","InChI=1S/C30H17ClF6N2O5/c31-22-8-4-7-21(29(32,33)34)25(22)27(40)39-23-12-10-18(44-30(35,36)37)14-20(23)26(38-39)19-11-9-17(28(41)42)13-24(19)43-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,41,42)","","2024-09-26","2025-10-03","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-(trifluoromethyloxy)indazol-3-yl]-3-phenylmethoxy-benzoic acid","2025-10-08"],["XOF","2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide","C25 H24 Cl N3 O4 S","CCN(c1ccccc1)S(=O)(=O)c1cc(c(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O;CCN(c1ccccc1)[S](=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccccc3N4CCCC4=O;CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3N4CCCC4=O)Cl","InChI=1S/C25H24ClN3O4S/c1-2-29(18-9-4-3-5-10-18)34(32,33)19-14-15-21(26)20(17-19)25(31)27-22-11-6-7-12-23(22)28-16-8-13-24(28)30/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,27,31)","","2022-12-02","2023-05-26","2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide","2023-05-31"],["G7O","N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide","C14 H14 N2 O S","C=CC(=O)N(Cc1sc2ccccc2n1)C3CC3;C=CC(=O)N(Cc1nc2ccccc2s1)C3CC3","InChI=1S/C14H14N2OS/c1-2-14(17)16(10-7-8-10)9-13-15-11-5-3-4-6-12(11)18-13/h2-6,10H,1,7-9H2","","2020-08-04","2024-09-27","~{N}-(1,3-benzothiazol-2-ylmethyl)-~{N}-cyclopropyl-prop-2-enamide","2022-06-22"],["ZW0","6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid","C23 H31 N5 O7 S","OC(=O)c1cccc(CN2CCN(CCC[S](O)(=O)=O)CCN(CC2)Cc3cccc(n3)C(O)=O)n1;c1cc(nc(c1)C(=O)O)CN2CCN(CCN(CC2)Cc3cccc(n3)C(=O)O)CCCS(=O)(=O)O","InChI=1S/C23H31N5O7S/c29-22(30)20-6-1-4-18(24-20)16-27-11-9-26(8-3-15-36(33,34)35)10-12-28(14-13-27)17-19-5-2-7-21(25-19)23(31)32/h1-2,4-7H,3,8-17H2,(H,29,30)(H,31,32)(H,33,34,35)","","2023-07-05","2024-07-05","6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid","2024-07-10"],["A1IPR","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-6-(trifluoromethyl)indazol-3-yl]-3-phenylmethoxy-benzoic acid","C30 H17 Cl F6 N2 O4","OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5cc(ccc35)C(F)(F)F;c1ccc(cc1)COc2cc(ccc2c3c4ccc(cc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C(F)(F)F)C(=O)O","InChI=1S/C30H17ClF6N2O4/c31-22-8-4-7-21(30(35,36)37)25(22)27(40)39-23-14-18(29(32,33)34)10-12-19(23)26(38-39)20-11-9-17(28(41)42)13-24(20)43-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,41,42)","","2024-09-26","2025-10-03","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-6-(trifluoromethyl)indazol-3-yl]-3-phenylmethoxy-benzoic acid","2025-10-08"],["XOG","(2E,6E)-2,6-dimethylocta-2,6-dienedial","C10 H14 O2","O=C[C@H]=C(C)CC[C@H]=C(C)C=O;CC(CCC=C(C)C=O)=CC=O;CC(=CC=O)CCC=C(C)C=O","InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+","8-oxogeranial","2015-07-27","2021-03-01","(2E,6E)-2,6-dimethylocta-2,6-dienedial","2015-11-04"],["ZW2","6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione","C13 H10 N2 O3 S","C1(=O)N(C(=O)Nc2c1cc(s2)Cc3ccccc3)O;ON1C(=O)Nc2sc(Cc3ccccc3)cc2C1=O;c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O","InChI=1S/C13H10N2O3S/c16-12-10-7-9(6-8-4-2-1-3-5-8)19-11(10)14-13(17)15(12)18/h1-5,7,18H,6H2,(H,14,17)","","2017-08-16","2018-08-03","6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione","2018-08-08"],["XOH","4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide","C26 H28 F2 N8 O5","Cc1nonc1CNC(=O)c2c[nH]c3nccc(Oc4c(F)cc(NC(=O)NCCCN5CCOCC5)cc4F)c23;Cc1c(non1)CNC(=O)c2c[nH]c3c2c(ccn3)Oc4c(cc(cc4F)NC(=O)NCCCN5CCOCC5)F","InChI=1S/C26H28F2N8O5/c1-15-20(35-41-34-15)14-32-25(37)17-13-31-24-22(17)21(3-5-29-24)40-23-18(27)11-16(12-19(23)28)33-26(38)30-4-2-6-36-7-9-39-10-8-36/h3,5,11-13H,2,4,6-10,14H2,1H3,(H,29,31)(H,32,37)(H2,30,33,38)","","2023-06-08","2024-06-21","4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide","2024-06-26"],["G7P","6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose","C7 H15 O8 P","O=P(O)(O)CCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CC[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(CP(=O)(O)O)C1C(C(C(C(O1)O)O)O)O","InChI=1S/C7H15O8P/c8-4-3(1-2-16(12,13)14)15-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1","6,7-dideoxy-7-phosphono-beta-D-gluco-heptose; 6,7-dideoxy-7-phosphono-D-gluco-heptose;\n6,7-dideoxy-7-phosphono-gluco-heptose","2009-04-03","2020-07-17","6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose",""],["ZW3","N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide","C13 H10 N4 O3 S","O=C1C(SC(=O)N1)=Cc3ccc2nc(NC(=O)C)cn2c3;CC(=O)Nc1cn2cc(ccc2n1)C=C3SC(=O)NC3=O;CC(=O)Nc1cn2cc(ccc2n1)C=C3C(=O)NC(=O)S3","InChI=1S/C13H10N4O3S/c1-7(18)14-10-6-17-5-8(2-3-11(17)15-10)4-9-12(19)16-13(20)21-9/h2-6H,1H3,(H,14,18)(H,16,19,20)/b9-4-","","2011-07-28","2014-09-05","N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide",""],["A1IPV","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid","C30 H16 Cl2 F6 N2 O5","OC(=O)c1ccc(c(OCc2cccc(OC(F)(F)F)c2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35;c1cc(cc(c1)OC(F)(F)F)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O","InChI=1S/C30H16Cl2F6N2O5/c31-17-8-10-23-20(13-17)26(39-40(23)27(41)25-21(29(33,34)35)5-2-6-22(25)32)19-9-7-16(28(42)43)12-24(19)44-14-15-3-1-4-18(11-15)45-30(36,37)38/h1-13H,14H2,(H,42,43)","","2024-09-27","2025-10-03","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid","2025-10-08"],["G7Q","(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide","C18 H26 F2 N4 O2 S","CC(=O)c1csc(NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)n1;CC(=O)c1csc(n1)NC(=O)C2CNCCN2CCC3CCC(CC3)(F)F","InChI=1S/C18H26F2N4O2S/c1-12(25)14-11-27-17(22-14)23-16(26)15-10-21-7-9-24(15)8-4-13-2-5-18(19,20)6-3-13/h11,13,15,21H,2-10H2,1H3,(H,22,23,26)/t15-/m1/s1","","2018-09-01","2019-02-15","(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide","2019-02-20"],["XOI","1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one","C29 H30 Cl F4 N7 O3","FC(F)(F)c1c(C)cc(N)nc1c1cc2nc(OCC3CC(F)CN3C)nc3N4CCN(CC4COc(c32)c1Cl)C(=O)C=C;CN1C[CH](F)C[CH]1COc2nc3cc(c(Cl)c4OC[CH]5CN(CCN5c(n2)c34)C(=O)C=C)c6nc(N)cc(C)c6C(F)(F)F;Cc1cc(nc(c1C(F)(F)F)c2cc3c4c(c2Cl)OCC5CN(CCN5c4nc(n3)OCC6CC(CN6C)F)C(=O)C=C)N","InChI=1S/C29H30ClF4N7O3/c1-4-21(42)40-5-6-41-17(11-40)13-43-26-22-19(36-28(38-27(22)41)44-12-16-8-15(31)10-39(16)3)9-18(24(26)30)25-23(29(32,33)34)14(2)7-20(35)37-25/h4,7,9,15-17H,1,5-6,8,10-13H2,2-3H3,(H2,35,37)/t15-,16+,17+/m1/s1","","2023-11-06","2023-12-15","1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one","2023-12-20"],["A1IPY","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenoxymethyl)benzoic acid","C29 H17 Cl2 F3 N2 O4","OC(=O)c1ccc(c(COc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35;c1ccc(cc1)OCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O","InChI=1S/C29H17Cl2F3N2O4/c30-18-10-12-24-21(14-18)26(35-36(24)27(37)25-22(29(32,33)34)7-4-8-23(25)31)20-11-9-16(28(38)39)13-17(20)15-40-19-5-2-1-3-6-19/h1-14H,15H2,(H,38,39)","","2024-09-27","2025-10-03","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenoxymethyl)benzoic acid","2025-10-08"],["XOJ","1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea","C27 H39 N7 O3","CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3;CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC","InChI=1S/C27H39N7O3/c1-8-34(9-2)12-10-11-28-25-29-17-19-15-22(18-13-20(36-6)16-21(14-18)37-7)24(30-23(19)31-25)32-26(35)33-27(3,4)5/h13-17H,8-12H2,1-7H3,(H3,28,29,30,31,32,33,35)","","2015-06-08","2015-07-31","1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea","2015-08-05"],["ZW4","(S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride","C23 H27 Cl2 F N4 O3 S","O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CC(CN(C)C)C2)cc1Cl;CN(C)CC1CN(C1)[S](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C(=O)N3CCO[CH](C3)c4ccccc4;CN(C)CC1CN(C1)S(=Nc2cc(c(c(c2)Cl)C(=O)N3CCOC(C3)c4ccccc4)Cl)(=O)F","InChI=1S/C23H27Cl2FN4O3S/c1-28(2)12-16-13-30(14-16)34(26,32)27-18-10-19(24)22(20(25)11-18)23(31)29-8-9-33-21(15-29)17-6-4-3-5-7-17/h3-7,10-11,16,21H,8-9,12-15H2,1-2H3/t21-,34-/m1/s1","","2023-04-07","2024-05-31","(S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride","2024-06-05"],["G7R","4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine","C31 H36 N4 O6","COc1ccc(cc1OC)CCNc1nc2cc(OC)c(OC)cc2c(n1)N1Cc2cc(OC)c(cc2CC1)OC;COc1ccc(CCNc2nc3cc(OC)c(OC)cc3c(n2)N4CCc5cc(OC)c(OC)cc5C4)cc1OC;COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC","InChI=1S/C31H36N4O6/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34)","","2021-12-17","2022-06-10","4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine","2022-06-15"],["A1IPZ","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(oxan-4-ylmethoxy)benzoic acid","C28 H21 Cl2 F3 N2 O5","OC(=O)c1ccc(c(OCC2CCOCC2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35;c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCC5CCOCC5)C(=O)O)Cl)C(F)(F)F","InChI=1S/C28H21Cl2F3N2O5/c29-17-5-7-22-19(13-17)25(34-35(22)26(36)24-20(28(31,32)33)2-1-3-21(24)30)18-6-4-16(27(37)38)12-23(18)40-14-15-8-10-39-11-9-15/h1-7,12-13,15H,8-11,14H2,(H,37,38)","","2024-09-27","2025-10-03","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(oxan-4-ylmethoxy)benzoic acid","2025-10-08"],["G7T","~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide","C26 H24 F4 N6 O2","CC(C)n1nc(c2ccc(NC(=O)CCC(=O)c3ccc(F)c(c3)C(F)(F)F)cc2C)c4c(N)ncnc14;Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F","InChI=1S/C26H24F4N6O2/c1-13(2)36-25-22(24(31)32-12-33-25)23(35-36)17-6-5-16(10-14(17)3)34-21(38)9-8-20(37)15-4-7-19(27)18(11-15)26(28,29)30/h4-7,10-13H,8-9H2,1-3H3,(H,34,38)(H2,31,32,33)","","2018-09-04","2018-09-28","~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide","2018-10-03"],["XOK","(2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid","C14 H28 N2 O3 S","CC[CH](S)CCCCC(=O)NCCCC[CH](N)C(O)=O;CCC(CCCCC(=O)NCCCCC(C(=O)O)N)S","InChI=1S/C14H28N2O3S/c1-2-11(20)7-3-4-9-13(17)16-10-6-5-8-12(15)14(18)19/h11-12,20H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1","","2015-11-24","2024-09-27","(2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid","2016-08-10"],["ZW5","1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine","C12 H17 F N2 O","COc1ccc(cc1F)CN1CCNCC1;COc1ccc(CN2CCNCC2)cc1F;COc1ccc(cc1F)CN2CCNCC2","InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3","","2023-07-05","2023-07-21","1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine","2023-07-26"],["XOL","(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide","C21 H20 N6 O S","O=C(Nc1nccs1)c1cccc2[NH]c(nc12)c1ccccc1N1CCNCC1;O=C(Nc1sccn1)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5;c1ccc(c(c1)c2[nH]c3cccc(c3n2)C(=O)Nc4nccs4)N5CCNCC5","InChI=1S/C21H20N6OS/c28-20(26-21-23-10-13-29-21)15-5-3-6-16-18(15)25-19(24-16)14-4-1-2-7-17(14)27-11-8-22-9-12-27/h1-7,10,13,22H,8-9,11-12H2,(H,24,25)(H,23,26,28)","","2022-12-03","2023-05-26","(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide","2023-05-31"],["ZW7","N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","C29 H24 F6 N2 O3","O=C(C(NC(=O)c1ccccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F)(F)F)N1CC2C(CO)C2C1;OCC1[CH]2CN(C[CH]12)C(=O)[CH](NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)c5cccc(c5)C(F)(F)F;c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)NC(c3cccc(c3)C(F)(F)F)C(=O)N4CC5C(C4)C5CO","InChI=1S/C29H24F6N2O3/c30-28(31,32)18-10-8-16(9-11-18)20-6-1-2-7-21(20)26(39)36-25(17-4-3-5-19(12-17)29(33,34)35)27(40)37-13-22-23(14-37)24(22)15-38/h1-12,22-25,38H,13-15H2,(H,36,39)/t22-,23+,24+,25-/m0/s1","","2023-04-10","2023-10-06","N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","2023-10-11"],["A1IQA","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-cyano-indazol-3-yl]-3-phenylmethoxy-benzoic acid","C30 H17 Cl F3 N3 O4","OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(cc35)C#N;c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C#N)C(=O)O","InChI=1S/C30H17ClF3N3O4/c31-23-8-4-7-22(30(32,33)34)26(23)28(38)37-24-12-9-18(15-35)13-21(24)27(36-37)20-11-10-19(29(39)40)14-25(20)41-16-17-5-2-1-3-6-17/h1-14H,16H2,(H,39,40)","","2024-09-30","2025-10-03","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-cyano-indazol-3-yl]-3-phenylmethoxy-benzoic acid","2025-10-08"],["G7U","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide","C23 H44 N3 O10 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(O)CC(=O)CCCCCCCC;CCCCCCCCC(=O)C[CH](O)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCC(=O)CC(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O","InChI=1S/C23H44N3O10P/c1-4-5-6-7-8-9-10-17(27)15-18(28)21(31)26-14-13-24-19(29)11-12-25-22(32)20(30)23(2,3)16-36-37(33,34)35/h18,20,28,30H,4-16H2,1-3H3,(H,24,29)(H,25,32)(H,26,31)(H2,33,34,35)/t18-,20+/m1/s1","","2023-04-27","2024-09-27","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide","2023-09-27"],["XOM","(2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one","C18 H21 Cl N2 O4","c4(COC3CN(C(=O)C2CC1(COC(=O)N1)C2)C3)ccc(c(c4)Cl)C;Cc1ccc(CO[CH]2CN(C2)C(=O)[CH]3C[C]4(COC(=O)N4)C3)cc1Cl;Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4","InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+","","2020-12-23","2021-08-06","(2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one","2021-08-11"],["A1IQB","4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid","C29 H18 Cl F3 N2 O4","OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4C(F)(F)F)c5ccc(Cl)cc35;c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O","InChI=1S/C29H18ClF3N2O4/c30-19-11-13-24-22(15-19)26(34-35(24)27(36)20-8-4-5-9-23(20)29(31,32)33)21-12-10-18(28(37)38)14-25(21)39-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,37,38)","","2024-09-30","2025-10-03","4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid","2025-10-08"],["ZWA","N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","C29 H27 F6 N3 O2","FC(F)(F)c1ccc(cc1)c1ccccc1C(=O)NC(c1cccc(c1)N1CC(C1)CC(F)(F)F)C(=O)N(C)C;CN(C)C(=O)[CH](NC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)N4CC(C4)CC(F)(F)F;CN(C)C(=O)C(c1cccc(c1)N2CC(C2)CC(F)(F)F)NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F","InChI=1S/C29H27F6N3O2/c1-37(2)27(40)25(20-6-5-7-22(14-20)38-16-18(17-38)15-28(30,31)32)36-26(39)24-9-4-3-8-23(24)19-10-12-21(13-11-19)29(33,34)35/h3-14,18,25H,15-17H2,1-2H3,(H,36,39)/t25-/m0/s1","","2023-04-10","2023-10-06","N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","2023-10-11"],["G7V","4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile","C22 H21 N5 O","c1c(nnc1)c4cc3C(Nc2ccc(C#N)cc2)CC(C)N(C(C)=O)c3cc4;C[CH]1C[CH](Nc2ccc(cc2)C#N)c3cc(ccc3N1C(C)=O)c4cc[nH]n4;CC1CC(c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N","InChI=1S/C22H21N5O/c1-14-11-21(25-18-6-3-16(13-23)4-7-18)19-12-17(20-9-10-24-26-20)5-8-22(19)27(14)15(2)28/h3-10,12,14,21,25H,11H2,1-2H3,(H,24,26)/t14-,21+/m0/s1","","2018-05-14","2019-11-08","4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile","2019-11-13"],["XON","~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine","C25 H23 F5 N4 O3","Fc1cc(NC2=NCC3(CCOCC3)CO2)cc(F)c1Oc4ccnc5[nH]cc(c45)C6(CC6)C(F)(F)F;c1cnc2c(c1Oc3c(cc(cc3F)NC4=NCC5(CCOCC5)CO4)F)c(c[nH]2)C6(CC6)C(F)(F)F","InChI=1S/C25H23F5N4O3/c26-16-9-14(34-22-33-12-23(13-36-22)4-7-35-8-5-23)10-17(27)20(16)37-18-1-6-31-21-19(18)15(11-32-21)24(2-3-24)25(28,29)30/h1,6,9-11H,2-5,7-8,12-13H2,(H,31,32)(H,33,34)","","2023-06-08","2024-06-21","~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine","2024-06-26"],["A1IQE","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonylindazol-3-yl]-3-phenylmethoxy-benzoic acid","C29 H18 Cl F3 N2 O4","OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccccc35;c1ccc(cc1)COc2cc(ccc2c3c4ccccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C(=O)O","InChI=1S/C29H18ClF3N2O4/c30-22-11-6-10-21(29(31,32)33)25(22)27(36)35-23-12-5-4-9-19(23)26(34-35)20-14-13-18(28(37)38)15-24(20)39-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,37,38)","","2024-09-30","2025-10-03","4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonylindazol-3-yl]-3-phenylmethoxy-benzoic acid","2025-10-08"],["G7W","(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide","C25 H20 F4 N6 O2","CC(C)n1nc(c2ccc(NC(=O)C=CC(=O)c3ccc(F)c(c3)C(F)(F)F)cc2)c4c(N)ncnc14;CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)C=CC(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N","InChI=1S/C25H20F4N6O2/c1-13(2)35-24-21(23(30)31-12-32-24)22(34-35)14-3-6-16(7-4-14)33-20(37)10-9-19(36)15-5-8-18(26)17(11-15)25(27,28)29/h3-13H,1-2H3,(H,33,37)(H2,30,31,32)/b10-9+","","2018-09-04","2018-09-28","(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide","2018-10-03"],["ZWB","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-bromanyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","C20 H30 Br N O4","CC1(C)C[CH](Br)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12;CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Br)C","InChI=1S/C20H30BrNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1","","2023-07-05","2025-05-23","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-bromanyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","2025-05-28"],["XOO","4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde","C33 H28 N6 O2","O=Cc1ccc(cc1O)CCNCc1ccc(cc1)n1c2nc(ccc2nc1c1cccnc1N)c1ccccc1;Nc1ncccc1c2nc3ccc(nc3n2c4ccc(CNCCc5ccc(C=O)c(O)c5)cc4)c6ccccc6;c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNCCc6ccc(c(c6)O)C=O","InChI=1S/C33H28N6O2/c34-31-27(7-4-17-36-31)32-38-29-15-14-28(24-5-2-1-3-6-24)37-33(29)39(32)26-12-9-23(10-13-26)20-35-18-16-22-8-11-25(21-40)30(41)19-22/h1-15,17,19,21,35,41H,16,18,20H2,(H2,34,36)","","2023-11-06","2024-09-27","4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde","2024-09-04"],["G7X","ISPINESIB MESILATE","C30 H33 Cl N4 O2","O=C(c1ccc(cc1)C)N(CCCN)C(C3=Nc2c(ccc(Cl)c2)C(=O)N3Cc4ccccc4)C(C)C;CC(C)[CH](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4;Cc1ccc(cc1)C(=O)N(CCCN)C(C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C","InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1","","2011-10-29","2014-09-05","N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide","2012-09-21"],["A1IQF","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(2-phenylethoxy)benzoic acid","C30 H19 Cl2 F3 N2 O4","OC(=O)c1ccc(c(OCCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35;c1ccc(cc1)CCOc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O","InChI=1S/C30H19Cl2F3N2O4/c31-19-10-12-24-21(16-19)27(36-37(24)28(38)26-22(30(33,34)35)7-4-8-23(26)32)20-11-9-18(29(39)40)15-25(20)41-14-13-17-5-2-1-3-6-17/h1-12,15-16H,13-14H2,(H,39,40)","","2024-09-30","2025-10-03","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(2-phenylethoxy)benzoic acid","2025-10-08"],["ZWD","N-(4-aminobenzoyl)glycine","C9 H10 N2 O3","O=C(NCC(=O)O)c1ccc(N)cc1;Nc1ccc(cc1)C(=O)NCC(O)=O;c1cc(ccc1C(=O)NCC(=O)O)N","InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)","Para-aminohippuric acid","2023-04-10","2023-10-13","N-(4-aminobenzoyl)glycine","2023-10-18"],["ZWE","N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea","C16 H12 F5 N5 O2","Nc1ncc(cn1)NC(=O)NC(c1oc2c(F)cc(F)cc2c1C)C(F)(F)F;Cc1c(oc2c(F)cc(F)cc12)[CH](NC(=O)Nc3cnc(N)nc3)C(F)(F)F;Cc1c2cc(cc(c2oc1C(C(F)(F)F)NC(=O)Nc3cnc(nc3)N)F)F","InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1","","2023-07-06","2023-09-01","N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea","2023-09-06"],["XOP","8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE","C14 H20 N O3 P","OP(OC2CC1N(C)C(CC1)C2)c3ccccc3;CN1[CH]2CC[CH]1CC(C2)O[P](O)(=O)c3ccccc3;CN1C2CCC1CC(C2)OP(=O)(c3ccccc3)O","InChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+","","2010-11-25","2024-09-27","(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydrogen (R)-phenylphosphonite",""],["A1IQQ","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-dimethylsilylpent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C26 H40 O2 Si","C[CH](CC#C[SiH](C)C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CC#C[SiH](C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C26H40O2Si/c1-18(8-7-15-29(4)5)23-12-13-24-20(9-6-14-26(23,24)3)10-11-21-16-22(27)17-25(28)19(21)2/h10-11,18,22-25,27-29H,2,6,8-9,12-14,16-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,26-/m1/s1","","2024-10-02","2024-12-06","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-dimethylsilylpent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2024-12-11"],["G7Z","3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide","C8 H12 N2 O3","CNC(=O)CCN1C(=O)CCC1=O;CNC(=O)CCN1C(=O)CCC1=O","InChI=1S/C8H12N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-5H2,1H3,(H,9,11)","","2018-09-05","2024-09-27","3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide","2019-09-18"],["G80","(3AS,4R,5S,6S,8R,9R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL (PIPERIDIN-4-YLTHIO)ACETATE","C27 H43 N O4 S","O=C1CCC42C1C(C)(C(C)CC2)C(OC(=O)CSC3CCNCC3)CC(C=C)(C)C(O)C4C;C[CH]1CC[C]23CCC(=O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3C)OC(=O)CSC4CCNCC4;CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C","InChI=1S/C27H43NO4S/c1-6-25(4)15-21(32-22(30)16-33-19-9-13-28-14-10-19)26(5)17(2)7-11-27(18(3)24(25)31)12-8-20(29)23(26)27/h6,17-19,21,23-24,28,31H,1,7-16H2,2-5H3/t17-,18+,21-,23+,24+,25-,26+,27+/m1/s1","","2007-01-17","2011-06-04","(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylsulfanyl)acetate",""],["ZWG","N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide","C19 H22 N4 O","CC(C)CC(N)C(=O)Nc1ccc(cc1)c1ccnc2[NH]ccc12;CC(C)C[CH](N)C(=O)Nc1ccc(cc1)c2ccnc3[nH]ccc23;CC(C)CC(C(=O)Nc1ccc(cc1)c2ccnc3c2cc[nH]3)N","InChI=1S/C19H22N4O/c1-12(2)11-17(20)19(24)23-14-5-3-13(4-6-14)15-7-9-21-18-16(15)8-10-22-18/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1","","2023-04-11","2024-02-16","N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide","2024-02-21"],["A1IQR","3,4-dihydroisoquinolin-1-amine","C9 H10 N2","NC1=NCCc2ccccc12;c1ccc2c(c1)CCN=C2N","InChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2,(H2,10,11)","","2024-10-02","2025-05-09","3,4-dihydroisoquinolin-1-amine","2025-05-14"],["XOQ","1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine","C23 H29 N5 O","Cc1nn(C)c(C)c1CCOc1cccnc1c1cccc(c1)N1CCNCC1;Cn1nc(C)c(CCOc2cccnc2c3cccc(c3)N4CCNCC4)c1C;Cc1c(c(n(n1)C)C)CCOc2cccnc2c3cccc(c3)N4CCNCC4","InChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3","","2022-12-03","2023-10-13","1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine","2023-10-18"],["G81","ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE","C25 H37 N3 O6","O=C(OC(C)(C)C)NC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccccc2;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OC(C)(C)C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C","InChI=1S/C25H37N3O6/c1-5-33-21(29)12-11-19(16-18-13-14-26-22(18)30)27-23(31)20(15-17-9-7-6-8-10-17)28-24(32)34-25(2,3)4/h6-10,18-20H,5,11-16H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19+,20-/m0/s1","","2011-07-24","2024-09-27","ethyl (4R)-4-{[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate",""],["ZWH","[Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2]","C23 H28 N2 O10 Ru2","C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5;CC1O[Ru]234N(CN([Ru]2(O1)(OC(O3)CCC(=O)O)OC(O4)CCC(=O)O)c5ccccc5)c6ccccc6","InChI=1S/C13H12N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*5-3(6)1-2-4(7)8;1-2(3)4;;/h1-10H,11H2;2*3H,1-2H2,(H,7,8);2H,1H3;;/q4*-2;2*+4","","2023-07-06","2023-09-08","","2023-09-13"],["XOR","[(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol","C19 H14 F6 N4 O3","OC[C]1(F)COC(=NC1)Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2;c1cnc2c(c1Oc3c(cc(cc3F)NC4=NCC(CO4)(CO)F)F)c(c[nH]2)C(F)(F)F","InChI=1S/C19H14F6N4O3/c20-11-3-9(29-17-28-6-18(22,7-30)8-31-17)4-12(21)15(11)32-13-1-2-26-16-14(13)10(5-27-16)19(23,24)25/h1-5,30H,6-8H2,(H,26,27)(H,28,29)/t18-/m1/s1","","2023-06-08","2024-06-21","[(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol","2024-06-26"],["XOS","3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid","C15 H12 O3","c1c(C(O)=O)cc(cc1)[C@H]=[C@H]c2ccc(cc2)O;OC(=O)c1cccc(C=Cc2ccc(O)cc2)c1;c1cc(cc(c1)C(=O)O)C=Cc2ccc(cc2)O","InChI=1S/C15H12O3/c16-14-8-6-11(7-9-14)4-5-12-2-1-3-13(10-12)15(17)18/h1-10,16H,(H,17,18)/b5-4+","","2016-12-07","2017-09-22","3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid","2017-09-27"],["A1IQV","~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide","C20 H14 N2 O2","ONC(=O)c1ccc(cc1)c2nc3ccccc3c4ccccc24;c1ccc2c(c1)c3ccccc3nc2c4ccc(cc4)C(=O)NO","InChI=1S/C20H14N2O2/c23-20(22-24)14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19/h1-12,24H,(H,22,23)","","2024-10-02","2025-06-27","~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide","2025-07-02"],["ZWI","3-[decyl(dimethyl)ammonio]propane-1-sulfonate","C15 H33 N O3 S","[O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCC)C;CCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O;CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]","InChI=1S/C15H33NO3S/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19/h4-15H2,1-3H3","","2012-12-20","2013-08-16","3-[decyl(dimethyl)ammonio]propane-1-sulfonate","2013-08-21"],["G82","ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE","C37 H50 N4 O9","O=C(OC(C)(C)C)CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3","InChI=1S/C37H50N4O9/c1-5-48-31(42)18-16-28(23-27-20-21-38-33(27)44)39-35(46)30(22-25-12-8-6-9-13-25)40-34(45)29(17-19-32(43)50-37(2,3)4)41-36(47)49-24-26-14-10-7-11-15-26/h6-15,27-30H,5,16-24H2,1-4H3,(H,38,44)(H,39,46)(H,40,45)(H,41,47)/t27-,28+,29-,30-/m0/s1","","2011-07-24","2024-09-27","ethyl (5S,8S,11R)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate (non-preferred name)",""],["G83","ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE","C36 H48 N4 O9","O=C(OC(C)(C)C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3","InChI=1S/C36H48N4O9/c1-5-47-30(41)17-16-27(21-26-18-19-37-32(26)43)38-33(44)28(20-24-12-8-6-9-13-24)39-34(45)29(22-31(42)49-36(2,3)4)40-35(46)48-23-25-14-10-7-11-15-25/h6-15,26-29H,5,16-23H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t26-,27+,28-,29-/m0/s1","","2011-07-24","2024-09-27","ethyl (5S,8S,11R)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate (non-preferred name)",""],["A1IQY","methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate","C11 H11 N O4","COC(=O)C(C)=Cc1ccc(cc1)[N+]([O-])=O;CC(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)OC","InChI=1S/C11H11NO4/c1-8(11(13)16-2)7-9-3-5-10(6-4-9)12(14)15/h3-7H,1-2H3/b8-7-","","2024-10-03","2025-03-21","methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate","2025-03-26"],["ZWK","[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone","C20 H21 N5 O","O=C(c1ccccc1C)N1CCN(CC1)c1cc2cnnc(N)c2cc1;Cc1ccccc1C(=O)N2CCN(CC2)c3ccc4c(N)nncc4c3;Cc1ccccc1C(=O)N2CCN(CC2)c3ccc4c(c3)cnnc4N","InChI=1S/C20H21N5O/c1-14-4-2-3-5-17(14)20(26)25-10-8-24(9-11-25)16-6-7-18-15(12-16)13-22-23-19(18)21/h2-7,12-13H,8-11H2,1H3,(H2,21,23)","","2023-04-11","2023-05-12","[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone","2023-05-17"],["XOT","(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid","C8 H8 N2 O2","O=C(O)c1n[NH]c2C3CC3Cc21;OC(=O)c1n[nH]c2[CH]3C[CH]3Cc12;C1c2c([nH]nc2C(=O)O)C3C1C3","InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1","MK 1903","2023-11-06","2025-02-21","(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid","2025-02-26"],["G84","O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C43 H54 N4 O8","O=C(OCC3c1ccccc1c2ccccc23)NC(C(=O)NC(C(=O)NC(CC4C(=O)NCC4)CCC(=O)OCC)Cc5ccccc5)C(OC(C)(C)C)C;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)OCC3c4ccccc4c5ccccc35)[CH](C)OC(C)(C)C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5","InChI=1S/C43H54N4O8/c1-6-53-37(48)21-20-30(25-29-22-23-44-39(29)49)45-40(50)36(24-28-14-8-7-9-15-28)46-41(51)38(27(2)55-43(3,4)5)47-42(52)54-26-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,27,29-30,35-36,38H,6,20-26H2,1-5H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t27-,29+,30-,36+,38+/m1/s1","","2011-07-25","2024-09-27","O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-[(1R)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-phenylalaninamide",""],["A1IQZ","methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate","C13 H12 O2","COC(=O)C(C)=Cc1ccc(cc1)C#C;CC(=Cc1ccc(cc1)C#C)C(=O)OC","InChI=1S/C13H12O2/c1-4-11-5-7-12(8-6-11)9-10(2)13(14)15-3/h1,5-9H,2-3H3/b10-9-","","2024-10-03","2025-03-21","methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate","2025-03-26"],["ZWL","[Ru2(DPhF)(Formate)(CO3)]","C15 H14 N2 O5 Ru2","O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5ccccc5;c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)OC(=O)O4)c5ccccc5","InChI=1S/C13H12N2.CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4;2-1-3;;/h1-10H,11H2;(H2,2,3,4);1H2;;/q-2;;-2;2*+3/p-2","","2023-07-06","2023-09-08","9,11-diphenyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-3-one","2023-09-13"],["XOU","(2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid ","C32 H30 N2 O4 S","N(C(NC(CSCc1ccccc1)C(O)=O)=O)(Cc2ccc(C)cc2)C(=O)c4ccc(c3ccccc3)cc4;Cc1ccc(CN(C(=O)N[CH](CSCc2ccccc2)C(O)=O)C(=O)c3ccc(cc3)c4ccccc4)cc1;Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)NC(CSCc4ccccc4)C(=O)O","InChI=1S/C32H30N2O4S/c1-23-12-14-24(15-13-23)20-34(30(35)28-18-16-27(17-19-28)26-10-6-3-7-11-26)32(38)33-29(31(36)37)22-39-21-25-8-4-2-5-9-25/h2-19,29H,20-22H2,1H3,(H,33,38)(H,36,37)/t29-/m0/s1","","2018-01-24","2021-04-30","S-benzyl-N-{([1,1'-biphenyl]-4-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-L-cysteine","2021-05-05"],["XOV","(2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one","C19 H22 Cl F N2 O4","c1(ccc(cc1Cl)F)OCC4CCN(C(C3CC2(COC(=O)N2)C3)=O)CC4;Fc1ccc(OC[CH]2CCN(CC2)C(=O)[CH]3C[C]4(COC(=O)N4)C3)c(Cl)c1;c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4","InChI=1S/C19H22ClFN2O4/c20-15-7-14(21)1-2-16(15)26-10-12-3-5-23(6-4-12)17(24)13-8-19(9-13)11-27-18(25)22-19/h1-2,7,12-13H,3-6,8-11H2,(H,22,25)/t13-,19+","","2020-12-23","2021-08-06","(2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one","2021-08-11"],["ZWN","(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","C27 H32 O14","Oc1ccc(cc1)C1CC(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2Oc3cc(O)c4C(=O)C[CH](Oc4c3)c5ccc(O)cc5)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3cc(c4c(c3)OC(CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O","InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1","Naringin","2023-04-13","2023-09-08","(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","2023-09-13"],["A1IRA","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-methylsulfonylphenyl)methoxy]benzoic acid","C30 H19 Cl2 F3 N2 O6 S","C[S](=O)(=O)c1ccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)cc1;CS(=O)(=O)c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O","InChI=1S/C30H19Cl2F3N2O6S/c1-44(41,42)19-9-5-16(6-10-19)15-43-25-13-17(29(39)40)7-11-20(25)27-21-14-18(31)8-12-24(21)37(36-27)28(38)26-22(30(33,34)35)3-2-4-23(26)32/h2-14H,15H2,1H3,(H,39,40)","","2024-10-04","2025-10-10","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-methylsulfonylphenyl)methoxy]benzoic acid","2025-10-15"],["G85","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C35 H48 N4 O8","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3)COC(C)(C)C;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](COC(C)(C)C)NC(=O)OCc3ccccc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(COC(C)(C)C)NC(=O)OCc3ccccc3","InChI=1S/C35H48N4O8/c1-5-45-30(40)17-16-27(21-26-18-19-36-31(26)41)37-32(42)28(20-24-12-8-6-9-13-24)38-33(43)29(23-47-35(2,3)4)39-34(44)46-22-25-14-10-7-11-15-25/h6-15,26-29H,5,16-23H2,1-4H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t26-,27+,28-,29-/m0/s1","","2011-07-25","2024-09-27","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-[(1R)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-phenylalaninamide",""],["G86","N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C33 H52 N4 O8","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccccc2)C(OC(C)(C)C)C;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)OC(C)(C)C)[CH](C)OC(C)(C)C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OC(C)(C)C","InChI=1S/C33H52N4O8/c1-9-43-26(38)16-15-24(20-23-17-18-34-28(23)39)35-29(40)25(19-22-13-11-10-12-14-22)36-30(41)27(21(2)44-32(3,4)5)37-31(42)45-33(6,7)8/h10-14,21,23-25,27H,9,15-20H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t21-,23+,24-,25+,27+/m1/s1","","2011-07-25","2024-09-27","N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-[(1R)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-phenylalaninamide",""],["ZWO","Ru2(DPhF)(CO3)3","C16 H12 N2 O9 Ru2","O=C1O[Ru]23OC(=O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5;c1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccccc6","InChI=1S/C13H12N2.3CH2O3.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;3*2-1(3)4;;/h1-10H,11H2;3*(H2,2,3,4);;/q-2;;;;2*+4/p-6","","2023-07-07","2023-09-08","","2023-09-13"],["A1IRB","cis-5-dodecenoic acid","C12 H22 O2","CCCCCCC=CCCCC(O)=O;CCCCCCC=CCCCC(=O)O","InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+","(~{E})-dodec-5-enoic acid","2024-10-04","2025-10-10","(~{E})-dodec-5-enoic acid","2025-10-15"],["XOW","5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol","C15 H13 F N4 O","Fc1ccc(CNc2ncccc2c2ncc[NH]2)c(O)c1;Oc1cc(F)ccc1CNc2ncccc2c3[nH]ccn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3[nH]ccn3","InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19)","","2022-12-03","2023-12-08","5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol","2023-12-13"],["A1IRE","6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide","C24 H24 Cl F3 N4 O3 S","CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)[S](=O)(=O)C(F)(F)F;CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)S(=O)(=O)C(F)(F)F","InChI=1S/C24H24ClF3N4O3S/c1-2-19-21(32-12-18(25)7-8-20(32)30-19)22(33)29-11-15-3-5-16(6-4-15)17-9-23(10-17)13-31(14-23)36(34,35)24(26,27)28/h3-8,12,17H,2,9-11,13-14H2,1H3,(H,29,33)","","2024-10-04","2025-04-04","6-chloranyl-2-ethyl-~{N}-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide","2025-04-09"],["XOY","(R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid","C42 H40 Cl N3 O4 S","c1cc(ccc1c2c(cccc2)CN3CCc4c(C3)ccc(c4)C(N(Cc5ccc(cc5)C)C(=O)NC(C(O)=O)CSCc6ccccc6)=O)Cl;Cc1ccc(CN(C(=O)N[CH](CSCc2ccccc2)C(O)=O)C(=O)c3ccc4CN(CCc4c3)Cc5ccccc5c6ccc(Cl)cc6)cc1;Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)NC(CSCc6ccccc6)C(=O)O","InChI=1S/C42H40ClN3O4S/c1-29-11-13-30(14-12-29)24-46(42(50)44-39(41(48)49)28-51-27-31-7-3-2-4-8-31)40(47)34-15-16-35-25-45(22-21-33(35)23-34)26-36-9-5-6-10-38(36)32-17-19-37(43)20-18-32/h2-20,23,39H,21-22,24-28H2,1H3,(H,44,50)(H,48,49)/t39-/m0/s1","","2018-01-24","2021-04-30","S-benzyl-N-({2-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6-carbonyl}[(4-methylphenyl)methyl]carbamoyl)-L-cysteine","2021-05-05"],["ZWP","3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate","C21 H21 N3 O","c1cccc4c1c(Cc2c[n+]3c(c(n2)[O-])CC=C3)c(C(C)(C)C=C)n4;CC(C)(C=C)c1[nH]c2ccccc2c1Cc3c[n+]4C=CCc4c([O-])n3;CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4","InChI=1S/C21H21N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-9,11,13,23H,1,10,12H2,2-3H3","","2019-01-12","2019-10-04","3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate","2019-10-09"],["G87","Metosulam","C14 H13 Cl2 N5 O4 S","c2(nc1n(c(cc(OC)n1)OC)n2)S(Nc3c(c(C)ccc3Cl)Cl)(=O)=O;COc1cc(OC)n2nc(nc2n1)[S](=O)(=O)Nc3c(Cl)ccc(C)c3Cl;Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl","InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3","N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide","2018-05-14","2021-03-13","N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide","2018-09-26"],["XOZ","1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea","C20 H17 F2 N5 O3 S","COCCNC(=O)Nc1cc(F)c(Oc2ccnc3[nH]cc(c4scnc4)c23)c(F)c1;COCCNC(=O)Nc1cc(c(c(c1)F)Oc2ccnc3c2c(c[nH]3)c4cncs4)F","InChI=1S/C20H17F2N5O3S/c1-29-5-4-25-20(28)27-11-6-13(21)18(14(22)7-11)30-15-2-3-24-19-17(15)12(8-26-19)16-9-23-10-31-16/h2-3,6-10H,4-5H2,1H3,(H,24,26)(H2,25,27,28)","","2023-06-08","2024-06-21","1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea","2024-06-26"],["ZWS","[(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid","C23 H29 N3 O7","O=C(O)CN1C=C(C=CC1=O)N1C(=O)C(=CC=2CCN(CC1=2)C(=O)OCCOC)C(C)CC;CC[CH](C)C1=CC2=C(CN(CC2)C(=O)OCCOC)N(C1=O)C3=CN(CC(O)=O)C(=O)C=C3;CCC(C)C1=CC2=C(CN(CC2)C(=O)OCCOC)N(C1=O)C3=CN(C(=O)C=C3)CC(=O)O","InChI=1S/C23H29N3O7/c1-4-15(2)18-11-16-7-8-24(23(31)33-10-9-32-3)13-19(16)26(22(18)30)17-5-6-20(27)25(12-17)14-21(28)29/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H,28,29)/t15-/m1/s1","","2023-04-13","2023-12-29","[(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid","2024-01-03"],["G88","(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID","C6 H11 O7 P","O=P(O)(O)CC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](C[P](O)(O)=O)C(O)=O;C(CC(=O)O)C(CP(=O)(O)O)C(=O)O","InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1","","2006-12-07","2011-06-04","(2S)-2-(phosphonomethyl)pentanedioic acid",""],["A1IRF","1-(1-methylpiperidin-4-yl)-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine","C23 H24 N6 O","CN1CCC(CC1)n2nc(c3cccc(Oc4ccccc4)c3)c5c(N)ncnc25;CN1CCC(CC1)n2c3c(c(n2)c4cccc(c4)Oc5ccccc5)c(ncn3)N","InChI=1S/C23H24N6O/c1-28-12-10-17(11-13-28)29-23-20(22(24)25-15-26-23)21(27-29)16-6-5-9-19(14-16)30-18-7-3-2-4-8-18/h2-9,14-15,17H,10-13H2,1H3,(H2,24,25,26)","","2024-10-06","2025-10-10","1-(1-methylpiperidin-4-yl)-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine","2025-10-15"],["G89","(3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C29 H40 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2O)C3)Cc4ccccc4;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4OC[CH](O)[CH]4C3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OCC3O)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-21(37-3)10-12-23)17-26(32)25(13-20-7-5-4-6-8-20)30-29(34)39-22-14-24-27(33)18-38-28(24)15-22/h4-12,19,22,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t22-,24-,25+,26-,27+,28-/m1/s1","","2011-07-28","2011-08-12","(3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate",""],["A1IRQ","(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid","C22 H24 N2 O6 S","OC(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccc(O)cc2)c3cccc(O)c3;c1cc(cc(c1)O)C2CCC(N2C(=O)CNC(=O)C(Cc3ccc(cc3)O)S)C(=O)O","InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1","","2024-10-09","2025-04-11","(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid","2025-04-16"],["ZWV","(3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol","C28 H42 N8 O3","CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ncc(cc3OC)C3CCN(CC3)C3CCOCC3)c12;CCC[CH](CCO)Nc1nc(N)nc2cnn(Cc3ncc(cc3OC)C4CCN(CC4)C5CCOCC5)c12;CCCC(CCO)Nc1c2c(cnn2Cc3c(cc(cn3)C4CCN(CC4)C5CCOCC5)OC)nc(n1)N","InChI=1S/C28H42N8O3/c1-3-4-21(7-12-37)32-27-26-23(33-28(29)34-27)17-31-36(26)18-24-25(38-2)15-20(16-30-24)19-5-10-35(11-6-19)22-8-13-39-14-9-22/h15-17,19,21-22,37H,3-14,18H2,1-2H3,(H3,29,32,33,34)/t21-/m0/s1","","2023-04-17","2024-02-02","(3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol","2024-02-07"],["XP0","5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine","C18 H17 N5","n2c(nc(c3c(C#Cc1ccccc1)cnc23)N4CCCC4)N;Nc1nc2[nH]cc(C#Cc3ccccc3)c2c(n1)N4CCCC4;c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4","InChI=1S/C18H17N5/c19-18-21-16-15(17(22-18)23-10-4-5-11-23)14(12-20-16)9-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,10-11H2,(H3,19,20,21,22)","","2014-01-15","2015-01-16","5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine","2015-01-21"],["A1IRR","(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid","C23 H26 N2 O4 S","Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CNC(=O)[CH](S)Cc3ccccc3)C(O)=O;Cc1ccc(cc1)C2CCC(N2C(=O)CNC(=O)C(Cc3ccccc3)S)C(=O)O","InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1","","2024-10-09","2025-04-11","(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid","2025-04-16"],["XP1","4-(DIMETHYLAMINO)BENZOIC ACID","C9 H11 N O2","O=C(O)c1ccc(N(C)C)cc1;CN(C)c1ccc(cc1)C(O)=O;CN(C)c1ccc(cc1)C(=O)O","InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)","","2007-07-19","2024-09-27","4-(dimethylamino)benzoic acid",""],["ZWW","3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid","C50 H57 N5 O20","Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[nH]cc(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O;Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c[nH]5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C50H57N5O20/c1-22-28(12-46(66)67)24(3-8-42(58)59)34(52-22)18-38-31(15-49(72)73)26(5-10-44(62)63)36(54-38)20-40-32(16-50(74)75)27(6-11-45(64)65)37(55-40)19-39-30(14-48(70)71)25(4-9-43(60)61)35(53-39)17-33-29(13-47(68)69)23(21-51-33)2-7-41(56)57/h21,51-55H,2-20H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)","","2023-07-06","2023-10-27","3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid","2023-11-01"],["G8A","ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate","C15 H15 I N4 O6 S","c1(nc(nc(OC)c1)NC(=O)NS(c2ccccc2C(OCC)=O)(=O)=O)I;CCOC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(I)cc(OC)n2;CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC","InChI=1S/C15H15IN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)","iodomuron methyl","2018-05-14","2020-06-17","ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate","2018-09-26"],["ZWY","17-oxoandrost-5-en-3beta-yl hydrogen sulfate","C19 H28 O5 S","O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1;C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](O)(=O)=O)[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C","InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1","Dehydroepiandrosterone sulfate; DHEA sulfate; DHEA-S","2023-04-17","2023-08-22","17-oxo-8alpha,10alpha,13alpha,14beta-androst-5-en-3alpha-yl hydrogen sulfate","2023-06-07"],["G8B","3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide","C23 H26 N6 O4 S","COc1ccccc1NC(=O)c2nc(cnc2N)c3ccc(cc3)[S](=O)(=O)N4CCN(C)CC4;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N","InChI=1S/C23H26N6O4S/c1-28-11-13-29(14-12-28)34(31,32)17-9-7-16(8-10-17)19-15-25-22(24)21(26-19)23(30)27-18-5-3-4-6-20(18)33-2/h3-10,15H,11-14H2,1-2H3,(H2,24,25)(H,27,30)","","2018-09-05","2019-07-12","3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide","2019-07-17"],["XP2","(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate","C51 H93 O24 P","CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(OC2OC(COC(=O)CCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O;CCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](COC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]3O)OC(=O)CCCCCCC;CCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O","InChI=1S/C51H93O24P/c1-4-7-10-13-15-17-20-22-25-35(53)67-29-32(70-37(55)27-24-19-12-9-6-3)30-69-76(65,66)75-49-47(73-50-45(63)40(58)38(56)33(28-52)71-50)43(61)42(60)44(62)48(49)74-51-46(64)41(59)39(57)34(72-51)31-68-36(54)26-23-21-18-16-14-11-8-5-2/h32-34,38-52,56-64H,4-31H2,1-3H3,(H,65,66)/t32-,33-,34-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51+/m1/s1","","2022-08-29","2022-10-07","(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate","2022-10-12"],["ZWZ","(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol","C7 H16 N2 O3","OC1C(O)C(O)C(NC1CN)C;C[CH]1N[CH](CN)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CN)O)O)O","InChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1","","2008-12-22","2011-06-04","(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol",""],["G8C","1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine","C21 H42 N O8 P","CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC","InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1","","2020-08-05","2024-09-27","[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate","2021-03-24"],["XP3","(5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one","C16 H26 O3","CCCCCC=CCCC1=C(CO)C(=O)C[CH](O)C1;CCCCCC=CCCC1=C(C(=O)CC(C1)O)CO","InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-13-10-14(18)11-16(19)15(13)12-17/h6-7,14,17-18H,2-5,8-12H2,1H3","","2023-11-07","2024-09-06","(5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one","2024-09-11"],["ZX0","(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline","C12 H22 N4 O6 S","O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2;OC(=O)[CH]1[CH](CCN1C(=O)N[CH]2CCCNCC2)N[S](O)(=O)=O;C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(=O)O","InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1","","2009-12-03","2024-09-27","(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline",""],["G8D","[(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono\nhydrogen phosphate","C10 H15 N5 O12 P2","NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1;C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H15N5O12P2/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(26-8)1-25-29(23,24)27-28(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1","8-oxoguanosine-5'-diphosphate","2016-06-17","2020-06-17","[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2017-04-19"],["XP4","1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE","C31 H60 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCC","InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/p-1/t29-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(tetradecanoyloxy)propyl hydrogen phosphate",""],["A1IRY","Mycobactin S","C46 H70 Fe N5 O10","CCCCCCCCCCCCCCCCCC=CC(=O)[N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)OC2=O)C5=O;CCCCCCCCCCCCCCCCCC=CC1=O[Fe+3]2345[N]6=C(c7ccccc7O2)OCC6C(=O)NC(CCCCN1O3)C(=O)OC(CC(=O)NC8CCCCN(C8=O4)O5)C","InChI=1S/C46H71N5O10.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56;/h19-21,26,29-30,35,37-39,52H,3-18,22-25,27-28,31-34H2,1-2H3,(H,47,53)(H,48,55);/q-2;+6/p-1/b30-19+;/t35-,37+,38+,39-;/m1./s1","[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate","2024-10-14","2024-12-13","","2024-12-18"],["G8E","3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide","C20 H20 N6 O4 S","Nc1ncc(nc1C(=O)Nc2cccnc2)c3ccc(cc3)[S](=O)(=O)N4CCOCC4;c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N","InChI=1S/C20H20N6O4S/c21-19-18(20(27)24-15-2-1-7-22-12-15)25-17(13-23-19)14-3-5-16(6-4-14)31(28,29)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2,(H2,21,23)(H,24,27)","","2018-09-05","2019-07-12","3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide","2019-07-17"],["XP5","(4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide","C22 H45 N O8 P","O=C(OCC(OC(=O)CCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCC;CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC;CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC","InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/p+1/t20-/m1/s1","","2008-09-22","2013-04-05","(4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide","2013-04-10"],["ZX1","(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE","C12 H22 N4 O6 S","O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2;OC(=O)[CH]1[CH](CCN1C(=O)N[CH]2CCCNCC2)N[S](O)(=O)=O;C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(=O)O","InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9-,10+/m1/s1","","2009-12-03","2024-09-27","(3R)-1-[(4R)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline",""],["A1IRZ","(Ribitol-phosphate)3-(CH2)6-NH2","C21 H48 N O22 P3","NCCCCCCO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO;C(CCCOP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)CCN","InChI=1S/C21H48NO22P3/c22-5-3-1-2-4-6-39-45(33,34)40-9-15(26)20(31)16(27)10-43-47(37,38)44-12-18(29)21(32)17(28)11-42-46(35,36)41-8-14(25)19(30)13(24)7-23/h13-21,23-32H,1-12,22H2,(H,33,34)(H,35,36)(H,37,38)/t13-,14+,15+,16-,17-,18+,19-,20+,21-/m0/s1","[(2S,3S,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","2024-10-15","2024-12-13","[(2~{S},3~{S},4~{R})-5-[[(2~{S},3~{R},4~{R})-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","2024-12-18"],["ZX3","3^3-ethyl-5^4-morpholino-6,9-dioxa-2,4-diaza-3(2,6)-pyrazina-1(4,1)-piperidina-5(1,3)-benzenacycloundecaphane-3^5-carboxamide","C26 H37 N7 O4","CCc1nc(C(N)=O)c2Nc3ccc(N4CCOCC4)c(OCCOCCN5CCC(CC5)Nc1n2)c3;CCc1c2nc(c(n1)C(=O)N)Nc3ccc(c(c3)OCCOCCN4CCC(N2)CC4)N5CCOCC5","InChI=1S/C26H37N7O4/c1-2-20-25-28-18-5-7-32(8-6-18)9-12-36-15-16-37-22-17-19(29-26(31-25)23(30-20)24(27)34)3-4-21(22)33-10-13-35-14-11-33/h3-4,17-18H,2,5-16H2,1H3,(H2,27,34)(H2,28,29,31)","","2023-12-13","2024-12-06","","2024-12-11"],["XP6","Norbaeocystin","C10 H13 N2 O4 P","NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12;c1cc2c(c(c1)OP(=O)(O)O)c(c[nH]2)CCN","InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)","[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate","2023-06-08","2024-03-29","[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate","2024-04-03"],["G8F","3-methoxybenzenesulfonamide","C7 H9 N O3 S","COc1cccc(c1)[S](N)(=O)=O;COc1cccc(c1)S(=O)(=O)N","InChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)","","2020-08-05","2020-08-14","3-methoxybenzenesulfonamide","2020-08-19"],["A1ISA","5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one","C22 H20 N4 O2","CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13;CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4ccccc4","InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)","","2024-10-23","2024-11-29","5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one","2024-12-04"],["G8G","(3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate","C12 H20 N4 O8 P2 S","S/C(CCOP(OP(O)(O)=O)(=O)O)=C(N(C=O)Cc1c(N)nc(C)nc1)C;Cc1ncc(CN(C=O)C(C)=C(S)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1;Cc1ncc(c(n1)N)CN(C=O)C(=C(CCOP(=O)(O)OP(=O)(O)O)S)C","InChI=1S/C12H20N4O8P2S/c1-8(11(27)3-4-23-26(21,22)24-25(18,19)20)16(7-17)6-10-5-14-9(2)15-12(10)13/h5,7,27H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/b11-8-","","2018-05-14","2018-09-21","(3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate","2018-09-26"],["A1ISB","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 4-{2-[4-({2-[2-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)ethoxy]ethoxy}methyl)-1H-1,2,3-triazol-1-yl]ethyl}benzoate","C57 H65 Cl N8 O15","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4cc(COCCOCCNc5cccc6C(=O)N([CH]7CCC(=O)NC7=O)C(=O)c56)nn4)cc3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O)O9;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)c5ccc(cc5)CCn6cc(nn6)COCCOCCNc7cccc8c7C(=O)N(C8=O)C9CCC(=O)NC9=O)C)C)OC)(NC(=O)O2)O","InChI=1S/C57H65ClN8O15/c1-32-9-7-12-44(76-6)57(74)29-43(79-55(73)61-57)33(2)50-56(3,81-50)45(28-47(68)64(4)41-26-35(25-32)27-42(75-5)49(41)58)80-54(72)36-15-13-34(14-16-36)19-21-65-30-37(62-63-65)31-78-24-23-77-22-20-59-39-11-8-10-38-48(39)53(71)66(52(38)70)40-17-18-46(67)60-51(40)69/h7-16,26-27,30,33,40,43-45,50,59,74H,17-25,28-29,31H2,1-6H3,(H,61,73)(H,60,67,69)/b12-7+,32-9+/t33-,40-,43+,44-,45+,50+,56+,57+/m1/s1","","2024-10-23","2025-10-24","","2025-10-29"],["XP7","(5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one","C19 H24 Cl F N2 O3","c3(OCC2CCN(C(=O)CCC1CCC(N1)=O)CC2)c(Cl)cc(cc3)F;Fc1ccc(OCC2CCN(CC2)C(=O)CC[CH]3CCC(=O)N3)c(Cl)c1;c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CCC3CCC(=O)N3","InChI=1S/C19H24ClFN2O3/c20-16-11-14(21)1-4-17(16)26-12-13-7-9-23(10-8-13)19(25)6-3-15-2-5-18(24)22-15/h1,4,11,13,15H,2-3,5-10,12H2,(H,22,24)/t15-/m0/s1","","2020-12-23","2021-08-06","(5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one","2021-08-11"],["ZX4","5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine","C25 H32 N10 O6 S","O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;NC1=Nc2[nH]cc(CCCN3CC[CH](C[CH]3C(O)=O)SC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2C(=O)N1;c1c(c2c([nH]1)N=C(NC2=O)N)CCCN3CCC(CC3C(=O)O)SCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1","","2023-04-17","2024-06-28","5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine","2024-07-03"],["G8H","2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide","C17 H14 N2 O","O=C(Cc1ccc2ccccc2c1)Nc3ccccn3;c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3","InChI=1S/C17H14N2O/c20-17(19-16-7-3-4-10-18-16)12-13-8-9-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,18,19,20)","","2018-09-06","2018-10-19","2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide","2018-10-24"],["A1ISE","N-[5-(1-{2-[4-({[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}carbonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)pentanoyl]-3-methyl-D-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","C66 H82 Cl N9 O13 S","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4cc(CCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4)cc3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O)O9;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCc4cn(nn4)CCc5ccc(cc5)C(=O)OC6CC(=O)N(c7cc(cc(c7Cl)OC)CC(=CC=CC(C8(CC(C(C9C6(O9)C)C)OC(=O)N8)O)OC)C)C)O","InChI=1S/C66H82ClN9O13S/c1-38-14-13-16-52(86-10)66(84)33-51(87-63(83)71-66)39(2)59-65(7,89-59)53(32-55(79)74(8)48-29-43(28-38)30-50(85-9)56(48)67)88-62(82)45-24-18-41(19-25-45)26-27-75-35-46(72-73-75)15-11-12-17-54(78)70-58(64(4,5)6)61(81)76-36-47(77)31-49(76)60(80)68-34-42-20-22-44(23-21-42)57-40(3)69-37-90-57/h13-14,16,18-25,29-30,35,37,39,47,49,51-53,58-59,77,84H,11-12,15,17,26-28,31-34,36H2,1-10H3,(H,68,80)(H,70,78)(H,71,83)/b16-13+,38-14+/t39-,47-,49+,51+,52-,53+,58+,59+,65+,66+/m1/s1","","2024-10-23","2025-10-24","","2025-10-29"],["ZX5","3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide","C18 H25 N3 O4","O=C(NCC1NC(C(O)C(O)C1O)C)CCc3c2ccccc2nc3;C[CH]1N[CH](CNC(=O)CCc2c[nH]c3ccccc23)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O","InChI=1S/C18H25N3O4/c1-10-16(23)18(25)17(24)14(21-10)9-20-15(22)7-6-11-8-19-13-5-3-2-4-12(11)13/h2-5,8,10,14,16-19,21,23-25H,6-7,9H2,1H3,(H,20,22)/t10-,14+,16+,17+,18+/m0/s1","","2008-12-22","2011-06-04","3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide",""],["XP8","O-phosphono-N-(8-sulfanyloctanoyl)-L-threonine","C12 H24 N O7 P S","O=C(O)C(NC(=O)CCCCCCCS)C(OP(=O)(O)O)C;C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCCS)C(O)=O;CC(C(C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O","InChI=1S/C12H24NO7PS/c1-9(20-21(17,18)19)11(12(15)16)13-10(14)7-5-3-2-4-6-8-22/h9,11,22H,2-8H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t9-,11+/m1/s1","","2010-03-12","2011-06-04","O-phosphono-N-(8-sulfanyloctanoyl)-L-threonine",""],["A1ISF","1-(2-phenylethynyl)cyclohexan-1-ol","C14 H16 O","OC1(CCCCC1)C#Cc2ccccc2;c1ccc(cc1)C#CC2(CCCCC2)O","InChI=1S/C14H16O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,10-11H2","","2024-10-23","2025-10-31","1-(2-phenylethynyl)cyclohexan-1-ol","2025-11-05"],["G8I","(2S)-2-hydroxy-3,3-dimethylbutanoic acid","C6 H12 O3","O=C(O)C(O)C(C)(C)C;CC(C)(C)[CH](O)C(O)=O;CC(C)(C)C(C(=O)O)O","InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1","","2023-07-20","2024-06-28","(2S)-2-hydroxy-3,3-dimethylbutanoic acid","2024-07-03"],["ZX6","2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide","C17 H23 N3 O4","O=C(NCC1NC(C(O)C(O)C1O)C)Cc3c2ccccc2nc3;C[CH]1N[CH](CNC(=O)Cc2c[nH]c3ccccc23)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O","InChI=1S/C17H23N3O4/c1-9-15(22)17(24)16(23)13(20-9)8-19-14(21)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,9,13,15-18,20,22-24H,6,8H2,1H3,(H,19,21)/t9-,13+,15+,16+,17+/m0/s1","","2008-12-22","2011-06-04","2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide",""],["XP9","O-phosphono-N-(9-sulfanylnonanoyl)-L-threonine","C13 H26 N O7 P S","O=C(O)C(NC(=O)CCCCCCCCS)C(OP(=O)(O)O)C;C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCCCS)C(O)=O;CC(C(C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O","InChI=1S/C13H26NO7PS/c1-10(21-22(18,19)20)12(13(16)17)14-11(15)8-6-4-2-3-5-7-9-23/h10,12,23H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)/t10-,12+/m1/s1","","2010-03-12","2011-06-04","O-phosphono-N-(9-sulfanylnonanoyl)-L-threonine",""],["ZX7","N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide","C16 H21 N3 O4","O=C(NCC1NC(C(O)C(O)C1O)C)c3cc2ccccc2n3;C[CH]1N[CH](CNC(=O)c2[nH]c3ccccc3c2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O","InChI=1S/C16H21N3O4/c1-8-13(20)15(22)14(21)12(18-8)7-17-16(23)11-6-9-4-2-3-5-10(9)19-11/h2-6,8,12-15,18-22H,7H2,1H3,(H,17,23)/t8-,12+,13+,14+,15+/m0/s1","","2008-12-22","2011-06-04","N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide",""],["G8J","6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","C22 H23 N5 O","c3(CC)c(C#CC(c1c(ccc(c1)c2ccncc2)OC)C)c(nc(n3)N)N;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(ccc2OC)c3ccncc3;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(ccc2OC)c3ccncc3","InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m0/s1","","2018-05-14","2018-05-18","6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","2018-05-23"],["XPA","1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHATE","C23 H44 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCC","InChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-1/t21-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(decanoyloxy)propyl hydrogen phosphate",""],["A1ISR","~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide","C22 H27 Cl N4 O4 S2","NC(=O)CSCCCNC(=O)[CH](CCNC(=O)c1sc(Cl)cc1)NC(=O)Cc2ccccc2;c1ccc(cc1)CC(=O)NC(CCNC(=O)c2ccc(s2)Cl)C(=O)NCCCSCC(=O)N","InChI=1S/C22H27ClN4O4S2/c23-18-8-7-17(33-18)22(31)26-11-9-16(21(30)25-10-4-12-32-14-19(24)28)27-20(29)13-15-5-2-1-3-6-15/h1-3,5-8,16H,4,9-14H2,(H2,24,28)(H,25,30)(H,26,31)(H,27,29)/t16-/m0/s1","","2024-10-28","2025-10-31","~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide","2025-11-05"],["G8K","[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone","C21 H19 N3 O4","COc1c(OC)cc(cc1OC)C(=O)c2cnc(n2)c3c4c(ccc3)ncc4;COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3cccc4[nH]ccc34;COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4","InChI=1S/C21H19N3O4/c1-26-17-9-12(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-5-4-6-15-13(14)7-8-22-15/h4-11,22H,1-3H3,(H,23,24)","","2018-01-24","2019-07-05","[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone","2019-07-10"],["ZX8","N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide","C16 H20 N2 O5","O=C(c2oc1ccccc1c2)NCC3NC(C)C(O)C(O)C3O;C[CH]1N[CH](CNC(=O)c2oc3ccccc3c2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)c2cc3ccccc3o2)O)O)O","InChI=1S/C16H20N2O5/c1-8-13(19)15(21)14(20)10(18-8)7-17-16(22)12-6-9-4-2-3-5-11(9)23-12/h2-6,8,10,13-15,18-21H,7H2,1H3,(H,17,22)/t8-,10+,13+,14+,15+/m0/s1","","2008-12-22","2011-06-04","N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide",""],["XPB","O6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate","C19 H23 N6 O8 P","O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCCCC(=O)c1cccnc1)N)CC4O;Nc1nc(OCCCC(=O)c2cccnc2)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3n1;c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C19H23N6O8P/c20-19-23-17-16(18(24-19)31-6-2-4-12(26)11-3-1-5-21-8-11)22-10-25(17)15-7-13(27)14(33-15)9-32-34(28,29)30/h1,3,5,8,10,13-15,27H,2,4,6-7,9H2,(H2,20,23,24)(H2,28,29,30)/t13-,14+,15+/m0/s1","","2014-07-30","2014-08-01","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-[4-oxo-4-(pyridin-3-yl)butoxy]-9H-purin-2-amine","2014-08-06"],["ZX9","(2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide","C20 H30 N2 O4","O=C(NCC1NC(C(O)C(O)C1O)C)C(c2ccccc2)C3CCCC3;C[CH]1N[CH](CNC(=O)[CH](C2CCCC2)c3ccccc3)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)C(c2ccccc2)C3CCCC3)O)O)O","InChI=1S/C20H30N2O4/c1-12-17(23)19(25)18(24)15(22-12)11-21-20(26)16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14-19,22-25H,5-6,9-11H2,1H3,(H,21,26)/t12-,15+,16+,17+,18+,19+/m0/s1","","2008-12-24","2011-06-04","(2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide",""],["G8L","quinoline-8-sulfonamide","C9 H8 N2 O2 S","N[S](=O)(=O)c1cccc2cccnc12;c1cc2cccnc2c(c1)S(=O)(=O)N","InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13)","","2020-08-05","2020-08-14","quinoline-8-sulfonamide","2020-08-19"],["A1ISU","3,5-bis(chloranyl)aniline","C6 H5 Cl2 N","Nc1cc(Cl)cc(Cl)c1;c1c(cc(cc1Cl)Cl)N","InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2","3,5-dichloroaniline","2024-10-28","2025-03-07","3,5-bis(chloranyl)aniline","2025-03-12"],["XPC","(3S,4R)-4-aminopyrrolidine-3-carboxylic acid","C5 H10 N2 O2","O=C(O)C1CNCC1N;N[CH]1CNC[CH]1C(O)=O;C1C(C(CN1)N)C(=O)O","InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1","(3R,4S)-3-Aminopyrrolidine-4-carboxylic acid","2008-02-05","2024-09-27","(3S,4R)-4-aminopyrrolidine-3-carboxylic acid",""],["G8M","(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid","C7 H11 N O4","O=C(O)C(N)C1CCC1C(=O)O;N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O;C1CC(C1C(C(=O)O)N)C(=O)O","InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1","(2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine","2012-07-30","2021-03-13","(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid",""],["XPD","6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one","C21 H20 Cl F N2 O4","c4cc(OCC3CCN(C(c2cc1NC(=O)COc1cc2)=O)CC3)c(cc4F)Cl;Fc1ccc(OCC2CCN(CC2)C(=O)c3ccc4OCC(=O)Nc4c3)c(Cl)c1;c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2","InChI=1S/C21H20ClFN2O4/c22-16-10-15(23)2-4-18(16)28-11-13-5-7-25(8-6-13)21(27)14-1-3-19-17(9-14)24-20(26)12-29-19/h1-4,9-10,13H,5-8,11-12H2,(H,24,26)","","2020-12-23","2021-08-06","6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one","2021-08-11"],["ZXA","N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide","C9 H18 N2 O4","O=C(NCC1NC(C(O)C(O)C1O)C)C;C[CH]1N[CH](CNC(C)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)C)O)O)O","InChI=1S/C9H18N2O4/c1-4-7(13)9(15)8(14)6(11-4)3-10-5(2)12/h4,6-9,11,13-15H,3H2,1-2H3,(H,10,12)/t4-,6+,7+,8+,9+/m0/s1","","2008-12-24","2011-06-04","N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide",""],["ZXB","(2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol","C12 H17 N O3","OC1C(NCC(O)C1O)Cc2ccccc2;O[CH]1CN[CH](Cc2ccccc2)[CH](O)[CH]1O;c1ccc(cc1)CC2C(C(C(CN2)O)O)O","InChI=1S/C12H17NO3/c14-10-7-13-9(11(15)12(10)16)6-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10+,11+,12-/m0/s1","","2008-12-24","2011-06-04","(2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol",""],["XPE","3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL","C20 H42 O11","O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2","DECAETHYLENE GLYCOL","2004-06-23","2021-03-01","3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol",""],["G8N","3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide","C19 H26 N6 O4 S","COCCNC(=O)c1nc(cnc1N)c2ccc(cc2)[S](=O)(=O)N3CCN(C)CC3;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N","InChI=1S/C19H26N6O4S/c1-24-8-10-25(11-9-24)30(27,28)15-5-3-14(4-6-15)16-13-22-18(20)17(23-16)19(26)21-7-12-29-2/h3-6,13H,7-12H2,1-2H3,(H2,20,22)(H,21,26)","","2018-09-06","2019-07-12","3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide","2019-07-17"],["G8O","2,4-dimethoxy-5-thiophen-2-yl-benzoic acid","C13 H12 O4 S","COc1cc(OC)c(cc1C(O)=O)c2sccc2;COc1cc(c(cc1c2cccs2)C(=O)O)OC","InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15)","","2020-08-06","2020-08-14","2,4-dimethoxy-5-thiophen-2-yl-benzoic acid","2020-08-19"],["XPF","N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide","C18 H20 N2 O4 S2","O=S(=O)(NC3COCC3Oc2ccc(c1sc(C#N)cc1)cc2)C(C)C;CC(C)[S](=O)(=O)N[CH]1COC[CH]1Oc2ccc(cc2)c3sc(cc3)C#N;CC(C)S(=O)(=O)NC1COCC1Oc2ccc(cc2)c3ccc(s3)C#N","InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1","","2014-12-02","2015-05-01","N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide","2015-05-06"],["A1ISZ","5-quinolin-8-ylpyrimidin-2-amine","C13 H10 N4","Nc1ncc(cn1)c2cccc3cccnc23;c1cc2cccnc2c(c1)c3cnc(nc3)N","InChI=1S/C13H10N4/c14-13-16-7-10(8-17-13)11-5-1-3-9-4-2-6-15-12(9)11/h1-8H,(H2,14,16,17)","","2024-10-28","2025-03-07","5-quinolin-8-ylpyrimidin-2-amine","2025-03-12"],["ZXC","N-(9H-purin-6-yl)thiophene-2-carboxamide","C10 H7 N5 O S","O=C(Nc1ncnc2[nH]cnc12)c3sccc3;c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2","InChI=1S/C10H7N5OS/c16-10(6-2-1-3-17-6)15-9-7-8(12-4-11-7)13-5-14-9/h1-5H,(H2,11,12,13,14,15,16)","","2015-09-07","2016-04-08","N-(9H-purin-6-yl)thiophene-2-carboxamide","2016-04-13"],["ZXD","(2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol","C8 H17 N O3","OC1C(NCC(O)C1O)C(C)C;CC(C)[CH]1NC[CH](O)[CH](O)[CH]1O;CC(C)C1C(C(C(CN1)O)O)O","InChI=1S/C8H17NO3/c1-4(2)6-8(12)7(11)5(10)3-9-6/h4-12H,3H2,1-2H3/t5-,6+,7+,8-/m1/s1","","2008-12-24","2011-06-04","(2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol",""],["XPG","7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid","C20 H34 O5","O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC;CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1CCCCCCC(O)=O;CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O","InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1","Prostaglandin E1","2013-09-17","2021-03-01","(11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid","2014-09-10"],["G8Q","(1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol","C16 H28 N2 O3 S","CN([CH](O)OC(C)(C)C)[CH]([CH](O)NCCS)c1ccccc1;CC(C)(C)OC(N(C)C(c1ccccc1)C(NCCS)O)O","InChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)18(4)13(14(19)17-10-11-22)12-8-6-5-7-9-12/h5-9,13-15,17,19-20,22H,10-11H2,1-4H3/t13-,14+,15+/m0/s1","","2018-09-06","2024-09-27","(1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol","2019-02-27"],["A1ITA","5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide","C23 H25 N9 O2","CNc1nc(Nc2ccc(cc2)N3CCOCC3)c(nc1c4cncc5n(C)cnc45)C(N)=O;CNc1c(nc(c(n1)Nc2ccc(cc2)N3CCOCC3)C(=O)N)c4cncc5c4ncn5C","InChI=1S/C23H25N9O2/c1-25-22-19(16-11-26-12-17-18(16)27-13-31(17)2)29-20(21(24)33)23(30-22)28-14-3-5-15(6-4-14)32-7-9-34-10-8-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,33)(H2,25,28,30)","","2024-10-29","2025-02-14","5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide","2025-02-19"],["A1ITB","5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide","C21 H20 F3 N9 O","Cn1cnc2c1cncc2c3nc(C(N)=O)c(Nc4cn(CC(F)(F)F)nc4C)nc3C5CC5;Cc1c(cn(n1)CC(F)(F)F)Nc2c(nc(c(n2)C3CC3)c4cncc5c4ncn5C)C(=O)N","InChI=1S/C21H20F3N9O/c1-10-13(7-33(31-10)8-21(22,23)24)28-20-18(19(25)34)29-17(15(30-20)11-3-4-11)12-5-26-6-14-16(12)27-9-32(14)2/h5-7,9,11H,3-4,8H2,1-2H3,(H2,25,34)(H,28,30)","","2024-10-29","2025-02-14","5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide","2025-02-19"],["XPH","[(1S)-1-amino-2-phenylethyl]phosphonic acid","C8 H12 N O3 P","O=P(O)(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[P](O)(O)=O;c1ccc(cc1)CC(N)P(=O)(O)O","InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m0/s1","","2012-02-02","2013-01-18","[(1S)-1-amino-2-phenylethyl]phosphonic acid","2013-01-18"],["G8R","(1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C33 H42 N4 O7 S2","O=C(OC1CC2CC3C(O2)OCC31)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2C[CH]3C[CH]4[CH](OC[CH]24)O3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3CC4C2COC4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C33H42N4O7S2/c1-19(2)16-37(46(40,41)23-10-11-26-30(15-23)45-32(35-26)34-21-8-9-21)17-28(38)27(12-20-6-4-3-5-7-20)36-33(39)44-29-14-22-13-24-25(29)18-42-31(24)43-22/h3-7,10-11,15,19,21-22,24-25,27-29,31,38H,8-9,12-14,16-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,24+,25+,27-,28+,29-,31+/m0/s1","","2022-01-24","2022-02-25","(1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2022-03-02"],["ZXE","Ru2(DPhF)(CO3)2(Formate) ","C16 H14 N2 O8 Ru2","O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5;c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O)O4)OC(=O)O5)c6ccccc6","InChI=1S/C13H12N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*2-1(3)4;2-1-3;;/h1-10H,11H2;2*(H2,2,3,4);1H2;;/q-2;;;-2;2*+4/p-4","","2023-07-07","2023-09-08","","2023-09-13"],["A1ITC","6-(1-methylbenzimidazol-4-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide","C23 H23 N7 O2","Cn1cnc2c1cccc2c3cnc(Nc4ccc(cc4)N5CCOCC5)c(n3)C(N)=O;Cn1cnc2c1cccc2c3cnc(c(n3)C(=O)N)Nc4ccc(cc4)N5CCOCC5","InChI=1S/C23H23N7O2/c1-29-14-26-20-17(3-2-4-19(20)29)18-13-25-23(21(28-18)22(24)31)27-15-5-7-16(8-6-15)30-9-11-32-12-10-30/h2-8,13-14H,9-12H2,1H3,(H2,24,31)(H,25,27)","","2024-10-29","2025-02-14","6-(1-methylbenzimidazol-4-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide","2025-02-19"],["G8S","4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium","C37 H41 Cl N4","Clc1ccc(cc1)N(c2cc[n+](cc2)Cc3ccc(cc3)CCCCc4ccc(cc4)C[n+]5ccc(N(C)C)cc5)C;CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(cc4)N(C)c5ccc(Cl)cc5)cc3)cc2)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl","InChI=1S/C37H41ClN4/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36/h8-27H,4-7,28-29H2,1-3H3/q+2","","2013-11-22","2014-01-10","4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium","2014-01-15"],["ZXG","2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate","C15 H12 Br4 O5 S","Brc1cc(cc(Br)c1OS(=O)(=O)O)C(c2cc(Br)c(O)c(Br)c2)(C)C;CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O[S](O)(=O)=O)c(Br)c2;CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br","InChI=1S/C15H12Br4O5S/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(12(19)6-8)24-25(21,22)23/h3-6,20H,1-2H3,(H,21,22,23)","","2010-11-05","2011-06-04","2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate",""],["XPI","4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide","C19 H20 N2 O7 S","COc1cc(OC)c(cc1OC)[CH]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O;COc1cc(c(cc1OC)OC)C2C=C(C(=O)O2)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C19H20N2O7S/c1-25-15-10-18(27-3)17(26-2)8-13(15)16-9-14(19(22)28-16)21-11-4-6-12(7-5-11)29(20,23)24/h4-10,16,21H,1-3H3,(H2,20,23,24)/t16-/m1/s1","","2023-11-07","2024-11-08","4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide","2024-11-13"],["ZXH","N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide","C23 H28 Cl N3 O3","OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl;C[C]1(COC[CH]1O)N2CCC(CC2)c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl;CC1(COCC1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C5CC5","InChI=1S/C23H28ClN3O3/c1-23(13-30-12-20(23)28)27-6-4-14(5-7-27)18-8-16-10-21(26-22(29)15-2-3-15)25-11-17(16)9-19(18)24/h8-11,14-15,20,28H,2-7,12-13H2,1H3,(H,25,26,29)/t20-,23+/m0/s1","","2023-04-17","2023-10-27","N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide","2023-11-01"],["XPJ","1-deoxy-1-(methylamino)-D-allitol","C7 H17 N O5","C(C(O)CO)(C(C(CNC)O)O)O;CNC[CH](O)[CH](O)[CH](O)[CH](O)CO;CNCC(C(C(C(CO)O)O)O)O","InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1","N-Methyl-D-glucamine","2020-12-23","2021-09-17","1-deoxy-1-(methylamino)-D-allitol","2021-09-22"],["G8T","(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol","C17 H21 N O S","CC([CH](O)NCCS)(c1ccccc1)c2ccccc2;CC(c1ccccc1)(c2ccccc2)C(NCCS)O","InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1","","2018-09-06","2024-09-27","(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol","2019-02-27"],["ZXI","1-(4-iodophenyl)methanamine","C7 H8 I N","C(c1ccc(cc1)I)N;NCc1ccc(I)cc1;c1cc(ccc1CN)I","InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2","4-Iodobenzylamine","2017-12-28","2020-06-17","1-(4-iodophenyl)methanamine","2018-12-26"],["XPK","[(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium","C23 H35 N O2","[C-]#[N+]C(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC=O;C[CH]([N+]#[C-])[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC=O;CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC=O)C)C)[N+]#[C-]","InChI=1S/C23H35NO2/c1-15(24-4)19-7-8-20-18-6-5-16-13-17(26-14-25)9-11-22(16,2)21(18)10-12-23(19,20)3/h14-21H,5-13H2,1-3H3/t15-,16+,17+,18+,19+,20-,21+,22+,23-/m1/s1","","2022-12-05","2023-08-18","(20R)-20-isocyano-5alpha,8alpha-pregnan-3alpha-yl formate","2023-08-23"],["A1ITQ","~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide","C22 H26 Cl2 N4 O4 S2","NC(=O)CSCCCNC(=O)[CH](CCNC(=O)c1sc(Cl)cc1)NC(=O)Cc2cccc(Cl)c2;c1cc(cc(c1)Cl)CC(=O)NC(CCNC(=O)c2ccc(s2)Cl)C(=O)NCCCSCC(=O)N","InChI=1S/C22H26Cl2N4O4S2/c23-15-4-1-3-14(11-15)12-20(30)28-16(21(31)26-8-2-10-33-13-19(25)29)7-9-27-22(32)17-5-6-18(24)34-17/h1,3-6,11,16H,2,7-10,12-13H2,(H2,25,29)(H,26,31)(H,27,32)(H,28,30)/t16-/m0/s1","","2024-11-08","2025-10-31","~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide","2025-11-05"],["G8U","3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol","C20 H15 Cl F3 N O4","Clc1c(O)c(c(nc1C)CO)c3ccc(Oc2cccc(OC(F)(F)F)c2)cc3;Cc1nc(CO)c(c(O)c1Cl)c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2;Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl","InChI=1S/C20H15ClF3NO4/c1-11-18(21)19(27)17(16(10-26)25-11)12-5-7-13(8-6-12)28-14-3-2-4-15(9-14)29-20(22,23)24/h2-9,26H,10H2,1H3,(H,25,27)","","2014-07-27","2015-01-09","3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol","2015-01-14"],["XPL","N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine","C12 H24 N4 O3","O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C;C[CH]1C[CH](N)N[CH]1C(=O)NCCCC[CH](N)C(O)=O;CC1CC(NC1C(=O)NCCCCC(C(=O)O)N)N","InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1","4-amino reduced pyrrolysine","2014-07-30","2024-09-27","N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine",""],["ZXJ","(9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid","C15 H14 O2 S","O=C(O)c1cc2CC(C)(C)c3ccccc3c2s1;CC1(C)Cc2cc(sc2c3ccccc13)C(O)=O;CC1(Cc2cc(sc2-c3c1cccc3)C(=O)O)C","InChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17)","","2023-07-07","2024-04-26","(9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid","2024-05-01"],["G8V","1-benzyl-4-(dimethylamino)pyridinium","C14 H17 N2","N(c1cc[n+](cc1)Cc2ccccc2)(C)C;CN(C)c1cc[n+](Cc2ccccc2)cc1;CN(C)c1cc[n+](cc1)Cc2ccccc2","InChI=1S/C14H17N2/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/q+1","","2013-11-22","2014-01-10","1-benzyl-4-(dimethylamino)pyridinium","2014-01-15"],["ZXL","(1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide","C27 H32 Cl N5 O3","OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3c3cn(C)nc3)ncc2cc1Cl;Cn1cc(cn1)[CH]2C[CH]2C(=O)Nc3cc4cc(C5CCN(CC5)[C]6(C)COC[CH]6O)c(Cl)cc4cn3;CC1(COCC1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C5CC5c6cnn(c6)C","InChI=1S/C27H32ClN5O3/c1-27(15-36-14-24(27)34)33-5-3-16(4-6-33)21-7-17-9-25(29-11-18(17)8-23(21)28)31-26(35)22-10-20(22)19-12-30-32(2)13-19/h7-9,11-13,16,20,22,24,34H,3-6,10,14-15H2,1-2H3,(H,29,31,35)/t20-,22+,24+,27-/m1/s1","","2023-04-17","2023-10-27","(1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide","2023-11-01"],["A1ITU","(4S)-4-[(1R)-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione","C36 H47 N3 O4","CCCN1CCCCCc2cccc(C[CH](NC(=O)c3cccc(c3)C1=O)[CH](O)CNC(C)(C)c4cccc(OC)c4)c2;CCCN1CCCCCc2cccc(c2)CC(NC(=O)c3cccc(c3)C1=O)C(CNC(C)(C)c4cccc(c4)OC)O","InChI=1S/C36H47N3O4/c1-5-19-39-20-8-6-7-12-26-13-9-14-27(21-26)22-32(38-34(41)28-15-10-16-29(23-28)35(39)42)33(40)25-37-36(2,3)30-17-11-18-31(24-30)43-4/h9-11,13-18,21,23-24,32-33,37,40H,5-8,12,19-20,22,25H2,1-4H3,(H,38,41)/t32-,33+/m0/s1","","2024-11-12","2025-03-14","(4~{S})-4-[(1~{R})-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione","2025-03-19"],["G8W","(2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","C17 H21 F N4 O8","OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)Nc1ccc(F)nc1)C(O)=O)C(O)=O;c1cc(ncc1NC(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F","InChI=1S/C17H21FN4O8/c18-12-6-4-9(8-19-12)20-13(23)3-1-2-10(15(26)27)21-17(30)22-11(16(28)29)5-7-14(24)25/h4,6,8,10-11H,1-3,5,7H2,(H,20,23)(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t10-,11-/m0/s1","","2018-09-07","2018-11-30","(2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","2018-12-05"],["XPM","tetradecylpropanedioic acid","C17 H32 O4","O=C(O)C(C(=O)O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(C(O)=O)C(O)=O;CCCCCCCCCCCCCCC(C(=O)O)C(=O)O","InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21)","","2011-10-05","2024-09-27","tetradecylpropanedioic acid","2012-08-24"],["G8X","(2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid","C5 H9 N O3","O[CH]1CCN[CH]1C(O)=O;C1CNC(C1O)C(=O)O","InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1","","2020-08-06","2024-09-27","(2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid","2021-06-16"],["ZXM","1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid","C11 H13 B N4 O5 S","O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2;OB(O)[CH](Cn1cc(nn1)C(O)=O)NC(=O)Cc2sccc2;B(C(Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O","InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1","","2014-07-15","2024-09-27","1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid","2014-11-19"],["XPN","Baeocystin","C11 H15 N2 O4 P","CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12;CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O","InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)","[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate","2023-06-08","2024-03-29","[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate","2024-04-03"],["A1ITV","(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide","C26 H18 Cl N3 O4","Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)C5=CNC(=O)NC5=O;c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)C4=CNC(=O)NC4=O)c5cccc(c5)Cl","InChI=1S/C26H18ClN3O4/c27-16-4-3-5-18(12-16)30(25(33)21-13-23(31)20-7-2-1-6-19(20)21)17-10-8-15(9-11-17)22-14-28-26(34)29-24(22)32/h1-12,14,21H,13H2,(H2,28,29,32,34)/t21-/m1/s1","(1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide","2024-11-12","2024-11-22","(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide","2024-11-27"],["XPO","formyl phosphate","C H3 O5 P","O[P](O)(=O)OC=O;C(=O)OP(=O)(O)O","InChI=1S/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5)","","2011-04-05","2011-12-02","phosphono methanoate",""],["A1ITY","4-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid","C19 H18 O6 S","COc1cc(COc2ccc(c3ccccc23)[S](O)(=O)=O)cc(OC)c1;COc1cc(cc(c1)OC)COc2ccc(c3c2cccc3)S(=O)(=O)O","InChI=1S/C19H18O6S/c1-23-14-9-13(10-15(11-14)24-2)12-25-18-7-8-19(26(20,21)22)17-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3,(H,20,21,22)","","2024-11-12","2025-11-14","4-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid","2025-11-19"],["G8Y","(8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol","C29 H28 F N O5","c2c(OCCN1CC(C1)CF)ccc(c2)C6C3=C(CCOc4c3ccc(c4)O)c5ccc(O)cc5O6;Oc1ccc2c(OCCC3=C2[CH](Oc4cc(O)ccc34)c5ccc(OCCN6CC(CF)C6)cc5)c1;c1cc(ccc1C2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF","InChI=1S/C29H28FNO5/c30-15-18-16-31(17-18)10-12-34-22-5-1-19(2-6-22)29-28-24(23-7-3-21(33)14-27(23)36-29)9-11-35-26-13-20(32)4-8-25(26)28/h1-8,13-14,18,29,32-33H,9-12,15-17H2/t29-/m1/s1","","2018-05-15","2019-02-15","(8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol","2019-02-20"],["ZXN","[6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate","C14 H16 N3 O5 P","Cc1ncc(CO[P](O)(O)=O)c(C=NNc2ccccc2)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NNc2ccccc2)O","InChI=1S/C14H16N3O5P/c1-10-14(18)13(8-16-17-12-5-3-2-4-6-12)11(7-15-10)9-22-23(19,20)21/h2-8,17-18H,9H2,1H3,(H2,19,20,21)/b16-8+","","2023-07-10","2023-12-06","[6-methyl-5-oxidanyl-4-[(~{E})-(phenylhydrazinylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate","2023-10-25"],["ZXP","(1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide","C26 H33 Cl N4 O4","OC1COCC1(C)N1CCN(CC1)c1cc2cc(NC(=O)C3CC43CCOCC4)ncc2cc1Cl;C[C]1(COC[CH]1O)N2CCN(CC2)c3cc4cc(NC(=O)[CH]5CC56CCOCC6)ncc4cc3Cl;CC1(COCC1O)N2CCN(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C5CC56CCOCC6","InChI=1S/C26H33ClN4O4/c1-25(16-35-15-22(25)32)31-6-4-30(5-7-31)21-11-17-12-23(28-14-18(17)10-20(21)27)29-24(33)19-13-26(19)2-8-34-9-3-26/h10-12,14,19,22,32H,2-9,13,15-16H2,1H3,(H,28,29,33)/t19-,22+,25-/m1/s1","","2023-04-17","2023-10-27","(1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide","2023-11-01"],["G8Z","prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside","C10 H18 O6","CO[CH]1[CH](O)[CH](O)[CH](OCC=C)O[CH]1CO;COC1C(OC(C(C1O)O)OCC=C)CO","InChI=1S/C10H18O6/c1-3-4-15-10-8(13)7(12)9(14-2)6(5-11)16-10/h3,6-13H,1,4-5H2,2H3/t6-,7-,8+,9-,10+/m1/s1","Allyl-Alpha-4-Methyl-Mannoside; prop-2-en-1-yl 4-O-methyl-alpha-D-mannoside; prop-2-en-1-yl 4-O-methyl-D-mannoside;\nprop-2-en-1-yl 4-O-methyl-mannoside","2016-01-04","2020-07-17","(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-prop-2-enoxy-oxane-3,4-diol","2017-03-29"],["A1ITZ","5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole","C11 H11 N3 O","C1CC(C1)c2onc(n2)c3ccccn3;c1ccnc(c1)c2nc(on2)C3CCC3","InChI=1S/C11H11N3O/c1-2-7-12-9(6-1)10-13-11(15-14-10)8-4-3-5-8/h1-2,6-8H,3-5H2","","2024-11-12","2025-11-14","5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole","2025-11-19"],["XPP","HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE","C31 H41 N11 O6","CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2[n](C)cc(NC(=O)c3cc(NC(=O)c4ncc[n]4C)c[n]3C)c2O)c[n]1C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C","InChI=1/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-30(47)25-26(44)21(18-42(25)6)37-29(46)23-15-20(17-41(23)5)36-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,47)(H,36,48)(H,37,46)","IMPYHPPYBETADP","1999-08-27","2008-10-14","N-[5-[[5-[[5-[[3-(3-dimethylaminopropylamino)-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-hydroxy-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide",""],["G90","2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile","C22 H25 N3 O2","N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2;CC(C)(Cc1c[nH]c2ccccc12)NC[CH](O)COc3ccccc3C#N;CC(C)(Cc1c[nH]c2c1cccc2)NCC(COc3ccccc3C#N)O","InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1","BUCINDOLOL","2012-03-11","2021-03-01","2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile",""],["ZXQ","{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid","C13 H16 B N O5 S","O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1;OB1O[CH](CC(O)=O)C=CC[CH]1NC(=O)Cc2sccc2;B1(C(CC=CC(O1)CC(=O)O)NC(=O)Cc2cccs2)O","InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1","","2022-01-13","2024-09-27","{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid","2022-05-18"],["XPR","(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid","C9 H15 N O6 S","O=S(=O)(O)OC1CCC2CC(C(=O)O)NC2C1;OC(=O)[CH]1C[CH]2CC[CH](C[CH]2N1)O[S](O)(=O)=O;C1CC(CC2C1CC(N2)C(=O)O)OS(=O)(=O)O","InChI=1S/C9H15NO6S/c11-9(12)8-3-5-1-2-6(4-7(5)10-8)16-17(13,14)15/h5-8,10H,1-4H2,(H,11,12)(H,13,14,15)/t5-,6+,7-,8-/m0/s1","","2010-11-05","2024-09-27","(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid",""],["A1IUA","alpha-damascone","C13 H20 O","CC=CC(=O)[CH]1C(=CCCC1(C)C)C;CC=CC(=O)C1C(=CCCC1(C)C)C","InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1","(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one","2024-11-14","2025-02-21","(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one","2025-02-26"],["XPS","6-deoxy-6-(methylamino)-D-galactitol","C7 H17 N O5","C(C(O)CO)(C(C(O)CNC)O)O;CNC[CH](O)[CH](O)[CH](O)[CH](O)CO;CNCC(C(C(C(CO)O)O)O)O","InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1","","2020-12-23","2021-09-17","6-deoxy-6-(methylamino)-D-galactitol","2021-09-22"],["ZXT","5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide","C17 H22 N4 O3 S2","CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3;Cc1cnc(s1)NC(=O)c2cc(ccc2N3CCCC3)S(=O)(=O)N(C)C","InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)","","2023-07-10","2024-05-03","5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide","2024-05-08"],["G91","(8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol","C29 H28 F N O5","c1c(ccc(c1)C5C2=C(CCOc3c2ccc(c3)O)c4ccc(O)cc4O5)OCCN6CC(C6)CF;Oc1ccc2c(OCCC3=C2[CH](Oc4cc(O)ccc34)c5ccc(OCCN6CC(CF)C6)cc5)c1;c1cc(ccc1C2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF","InChI=1S/C29H28FNO5/c30-15-18-16-31(17-18)10-12-34-22-5-1-19(2-6-22)29-28-24(23-7-3-21(33)14-27(23)36-29)9-11-35-26-13-20(32)4-8-25(26)28/h1-8,13-14,18,29,32-33H,9-12,15-17H2/t29-/m0/s1","","2018-05-16","2019-02-15","(8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol","2019-02-20"],["XPT","1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane","C9 H21 Cl S","ClS(CCC)(CCC)CCC;CCC[S](Cl)(CCC)CCC;CCCS(CCC)(CCC)Cl","InChI=1S/C9H21ClS/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3","","2010-11-24","2011-11-18","1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane",""],["G92","[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone","C23 H22 F3 N3 O4","COc1cc2ncnc(C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4)c2cc1OC;COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F","InChI=1S/C23H22F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)33-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3","","2018-09-07","2019-02-22","[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone","2019-02-27"],["ZXU","N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl\n)prop-2-enoyl]-L-tyrosinamide","C36 H32 N2 O12","N(C(C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O;Oc1ccc(C[CH](NC(=O)C=Cc2ccc(O)c(O)c2)C(=O)NCCCOC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)cc1;c1cc(ccc1CC(C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)C=Cc5ccc(c(c5)O)O)O","InChI=1S/C36H32N2O12/c39-22-7-2-19(3-8-22)14-24(38-31(46)11-5-20-4-9-25(41)27(43)15-20)36(48)37-12-1-13-49-35-33(47)32-29(45)17-23(40)18-30(32)50-34(35)21-6-10-26(42)28(44)16-21/h2-11,15-18,24,39-45H,1,12-14H2,(H,37,48)(H,38,46)/b11-5+/t24-/m0/s1","synthetic Montbretin A analogue","2019-03-22","2020-06-17","N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-tyrosinamide","2020-02-12"],["ZXW","5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine","C15 H24 N7 O15 P3 S","NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O;N[CH](CNC(=O)CS[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NCC(C(=O)O)N)O)O)N","InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1","","2018-01-18","2024-09-27","5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine","2018-08-22"],["A1IUE","(2~{S})-2-[(5-chloranylpyrimidin-2-yl)-methyl-amino]propan-1-ol","C8 H12 Cl N3 O","C[CH](CO)N(C)c1ncc(Cl)cn1;CC(CO)N(C)c1ncc(cn1)Cl","InChI=1S/C8H12ClN3O/c1-6(5-13)12(2)8-10-3-7(9)4-11-8/h3-4,6,13H,5H2,1-2H3/t6-/m0/s1","","2024-11-16","2025-11-21","(2~{S})-2-[(5-chloranylpyrimidin-2-yl)-methyl-amino]propan-1-ol","2025-11-26"],["XPU","2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide","C13 H20 B N O4 S","CC1(C)OB(OC1(C)C)c1ccc(c(C)c1)S(N)(=O)=O;Cc1cc(ccc1[S](N)(=O)=O)B2OC(C)(C)C(C)(C)O2;B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C)S(=O)(=O)N","InChI=1S/C13H20BNO4S/c1-9-8-10(6-7-11(9)20(15,16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H2,15,16,17)","","2023-11-07","2024-11-15","2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide","2024-11-20"],["G93","4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3\n-yn-2-ol","C21 H27 N7 O3","n1onc(N)c1c2nc4c(n2CC)c(OCC3CCCNC3)cnc4C#CC(O)(C)C;CCn1c(nc2c(ncc(OC[CH]3CCCNC3)c12)C#CC(C)(C)O)c4nonc4N;CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4","InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1","GSK690693","2008-05-08","2020-06-17","4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol",""],["A1IUQ","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide","C29 H51 N O12","C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N(C)C)[CH]3O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)N(C)C)O)O)O)O","InChI=1S/C29H51NO12/c1-15-21(32)23(34)24(35)28(38-15)40-17-11-7-8-12-18(17)41-29-25(36)26(22(33)20(14-31)42-29)39-19(27(37)30(2)3)13-16-9-5-4-6-10-16/h15-26,28-29,31-36H,4-14H2,1-3H3/t15-,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,28-,29+/m0/s1","","2024-11-20","2025-11-28","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide","2025-12-03"],["ZXX","methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate","C22 H32 N4 O6","O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)=O)C(C)C;COC(=O)[CH]1CCCN(N1)C(=O)[CH](Cc2cccc(O)c2)NC(=O)[CH](NC(C)=O)C(C)C;CC(C)C(C(=O)NC(Cc1cccc(c1)O)C(=O)N2CCCC(N2)C(=O)OC)NC(=O)C","InChI=1S/C22H32N4O6/c1-13(2)19(23-14(3)27)20(29)24-18(12-15-7-5-8-16(28)11-15)21(30)26-10-6-9-17(25-26)22(31)32-4/h5,7-8,11,13,17-19,25,28H,6,9-10,12H2,1-4H3,(H,23,27)(H,24,29)/t17-,18-,19-/m0/s1","","2020-05-22","2021-05-21","methyl (3S)-1-(N-acetyl-L-valyl-3-hydroxy-L-phenylalanyl)-1,2-diazinane-3-carboxylate","2020-06-24"],["G94","N-({5-[3-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid","C19 H21 N5 O6 S","N2c3nc(CCCc1sc(C(NC(C(=O)O)CCC(O)=O)=O)cc1)cc3C(N=C2N)=O;NC1=NC(=O)c2cc(CCCc3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)[nH]c2N1;c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1","","2014-06-04","2016-04-15","N-({5-[3-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid","2016-04-20"],["XPV","(6-phenyl-1-benzofuran-3-yl)acetic acid","C16 H12 O3","O=C(O)Cc1coc2cc(ccc12)c3ccccc3;OC(=O)Cc1coc2cc(ccc12)c3ccccc3;c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O","InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)","","2020-12-29","2021-08-06","(6-phenyl-1-benzofuran-3-yl)acetic acid","2021-08-11"],["A1IUR","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one","C31 H53 N O12","C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N5CCCC5)[CH]3O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)N5CCCC5)O)O)O)O","InChI=1S/C31H53NO12/c1-17-23(34)25(36)26(37)30(40-17)42-19-11-5-6-12-20(19)43-31-27(38)28(24(35)22(16-33)44-31)41-21(15-18-9-3-2-4-10-18)29(39)32-13-7-8-14-32/h17-28,30-31,33-38H,2-16H2,1H3/t17-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28-,30-,31+/m0/s1","","2024-11-20","2025-11-28","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one","2025-12-03"],["G95","N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide","C20 H18 N4 O S","O=C(c3sc(c1c2c(ncc1)ncc2)cc3)NC(c4ccccc4)CN;NC[CH](NC(=O)c1sc(cc1)c2ccnc3[nH]ccc23)c4ccccc4;c1ccc(cc1)C(CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4","InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)24-20(25)18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)/t16-/m1/s1","","2008-08-25","2011-06-04","N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide",""],["ZXY","N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide","C32 H30 N2 O11","N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O;Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)OCCCNC(=O)[CH]4CCCN4C(=O)C=Cc5ccc(O)c(O)c5;c1cc(c(cc1C=CC(=O)N2CCCC2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O","InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1","Montbretin A analogue M06-MbA","2019-03-25","2021-03-01","N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide","2020-02-12"],["XPW","1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile","C25 H28 N6 O3","CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O;CC(C)(O)c1cnc(cn1)N2C[C]3(CCC[C](C)(Cn4cnc5ccc(cc45)C#N)C3)OC2=O;CC1(CCCC2(C1)CN(C(=O)O2)c3cnc(cn3)C(C)(C)O)Cn4cnc5c4cc(cc5)C#N","InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1","GSK2798745","2022-12-05","2023-07-07","1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile","2023-07-12"],["A1IUU","(2~{S})-3-cyclohexyl-1-(3-ethylazetidin-1-yl)-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one","C32 H55 N O12","CCC1CN(C1)C(=O)[CH](CC2CCCCC2)O[CH]3[CH](O)[CH](CO)O[CH](O[CH]4CCCC[CH]4O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)[CH]3O;CCC1CN(C1)C(=O)C(CC2CCCCC2)OC3C(C(OC(C3O)OC4CCCCC4OC5C(C(C(C(O5)C)O)O)O)CO)O","InChI=1S/C32H55NO12/c1-3-18-14-33(15-18)30(40)22(13-19-9-5-4-6-10-19)42-29-25(36)23(16-34)45-32(28(29)39)44-21-12-8-7-11-20(21)43-31-27(38)26(37)24(35)17(2)41-31/h17-29,31-32,34-39H,3-16H2,1-2H3/t17-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29-,31-,32+/m0/s1","","2024-11-20","2025-11-28","(2~{S})-3-cyclohexyl-1-(3-ethylazetidin-1-yl)-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one","2025-12-03"],["G96","4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol","C24 H27 N7 O3","n1onc(N)c1c2nc4c(n2CC)cc(OCC(N)Cc3ccccc3)nc4C#CC(O)(C)C;CCn1c2cc(OC[CH](N)Cc3ccccc3)nc(C#CC(C)(C)O)c2nc1c4nonc4N;CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC(Cc4ccccc4)N","InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1","","2008-08-25","2011-06-04","4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol",""],["XPX","(2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4,5-TRIHYDROXY-2,6-BIS(ALPHA-D-MANNOPYRANOSYLOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]PROPAN\nE-1,2-DIYL DIHEXADECANOATE","C53 H99 O23 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC3C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C3OC2OC(CO)C(O)C(O)C2O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C53H99O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(56)69-33-35(71-39(57)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-70-77(67,68)76-51-49(74-52-47(65)42(60)40(58)36(31-54)72-52)45(63)44(62)46(64)50(51)75-53-48(66)43(61)41(59)37(32-55)73-53/h35-37,40-55,58-66H,3-34H2,1-2H3,(H,67,68)/t35-,36-,37-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1","2,6-(DI-O-D-MANNOPYRANOSYL)-1-O-(1,2-DI-O-PALMITOYL-SN-GLYCERO-3-PHOSPHORYL)-D-MYO-INOSITOL","2006-03-16","2020-06-17","(2R)-3-{[(R)-hydroxy{[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis(alpha-D-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate",""],["ZXZ","1,4-dimethylquinolin-2(1H)-one","C11 H11 N O","O=C2C=C(c1c(cccc1)N2C)C;CN1C(=O)C=C(C)c2ccccc12;CC1=CC(=O)N(c2c1cccc2)C","InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3","","2010-06-29","2012-01-06","1,4-dimethylquinolin-2(1H)-one",""],["G97","N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide","C20 H16 N6 O","O=C(C=C)Nc2ccc1c(nc(nc1c2)c3ccccc3)Nc4nncc4;C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)c4ccccc4;C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4","InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)","N-(4-(1H-pyrazol-3-ylamino)-2-phenylquinazolin-7-yl)acrylamide","2009-06-16","2020-06-17","N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide",""],["A1IUV","6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one","C20 H19 N3 O2","CN(C)CCNc1nc2cc(O)ccc2c3c4ccccc4C(=O)c13;CN(C)CCNc1c2c(c3ccc(cc3n1)O)-c4ccccc4C2=O","InChI=1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)","","2024-11-21","2025-05-23","6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one","2025-05-28"],["ZY0","N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE","C34 H35 F3 N4 O3","FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)c3cc2c(nccc2CC)c(c3)N4C(=O)CCC4)Cc5ccccc5;CCc1ccnc2c(cc(cc12)C(=O)N[CH](Cc3ccccc3)[CH](O)CNCc4cccc(c4)C(F)(F)F)N5CCCC5=O;CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)C(F)(F)F)O","InChI=1S/C34H35F3N4O3/c1-2-24-13-14-39-32-27(24)18-25(19-29(32)41-15-7-12-31(41)43)33(44)40-28(17-22-8-4-3-5-9-22)30(42)21-38-20-23-10-6-11-26(16-23)34(35,36)37/h3-6,8-11,13-14,16,18-19,28,30,38,42H,2,7,12,15,17,20-21H2,1H3,(H,40,44)/t28-,30+/m0/s1","","2009-04-02","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide",""],["XPY","5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C18 H21 F3 N8 O","FC(F)(F)c1nn(cc1NC(=O)c2c3nc(ccn3nc2)NC4CCCCC4N)C;Cn1cc(NC(=O)c2cnn3ccc(N[CH]4CCCC[CH]4N)nc23)c(n1)C(F)(F)F;Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)NC4CCCCC4N","InChI=1S/C18H21F3N8O/c1-28-9-13(15(27-28)18(19,20)21)25-17(30)10-8-23-29-7-6-14(26-16(10)29)24-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,26)(H,25,30)/t11-,12+/m0/s1","","2015-02-17","2015-05-15","5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2015-05-20"],["A1IUY","~{N}-[2-methyl-3-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)phenyl]methanesulfonamide","C18 H22 N2 O3 S","Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N[S](C)(=O)=O)c3C;Cc1c(cccc1NS(=O)(=O)C)c2c3c(c([nH]2)C)C(=O)CCCC3","InChI=1S/C18H22N2O3S/c1-11-13(8-6-9-15(11)20-24(3,22)23)18-14-7-4-5-10-16(21)17(14)12(2)19-18/h6,8-9,19-20H,4-5,7,10H2,1-3H3","","2024-11-21","2025-03-28","~{N}-[2-methyl-3-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)phenyl]methanesulfonamide","2025-04-02"],["G98","4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol","C24 H29 N7 O3","OC(C#Cc3nc(OC(c1ccccc1)CCN)cc2n(c(nc23)C=4NONC=4N)CC)(C)C;CCn1c2cc(O[CH](CCN)c3ccccc3)nc(C#CC(C)(C)O)c2nc1C4=C(N)NON4;CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)OC(CCN)c4ccccc4","InChI=1S/C24H29N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,29-30,32H,4,11,13,25-26H2,1-3H3/t18-/m0/s1","","2008-08-25","2014-11-12","4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol",""],["XPZ","(2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid","C25 H41 N O3","CCCCCCCCCCCCCCCC(=O)N[CH](Cc1ccccc1)C(O)=O;CCCCCCCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)O","InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)26-23(25(28)29)21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1","","2022-01-06","2023-01-06","(2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid","2023-01-11"],["ZY1","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide","C32 H38 N4 O5 S","O=C(c2cc3c1n(cc(c1c2)CC)CCS(=O)(=O)N3C)NC(Cc4ccccc4)C(O)CNCc5cccc(OC)c5;CCc1cn2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC)c5;CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)OC)O","InChI=1S/C32H38N4O5S/c1-4-24-21-36-13-14-42(39,40)35(2)29-18-25(17-27(24)31(29)36)32(38)34-28(16-22-9-6-5-7-10-22)30(37)20-33-19-23-11-8-12-26(15-23)41-3/h5-12,15,17-18,21,28,30,33,37H,4,13-14,16,19-20H2,1-3H3,(H,34,38)/t28-,30+/m0/s1","","2009-04-02","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide",""],["G9A","(2E)-pent-2-enedioic acid","C5 H6 O4","O=C(O)C=CCC(=O)O;OC(=O)CC=CC(O)=O;C(C=CC(=O)O)C(=O)O","InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+","Glutaconic acid","2014-08-12","2021-03-01","(2E)-pent-2-enedioic acid","2014-09-24"],["XQ0","3-METHYL-1H-INDAZOL-6-OL","C8 H8 N2 O","n2c(c1ccc(O)cc1n2)C;Cc1n[nH]c2cc(O)ccc12;Cc1c2ccc(cc2[nH]n1)O","InChI=1S/C8H8N2O/c1-5-7-3-2-6(11)4-8(7)10-9-5/h2-4,11H,1H3,(H,9,10)","","2011-03-25","2011-06-10","3-methyl-1H-indazol-6-ol",""],["A1IUZ","3-methyl-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one","C17 H19 N O","Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C;Cc1ccccc1c2c3c(c([nH]2)C)C(=O)CCCC3","InChI=1S/C17H19NO/c1-11-7-3-4-8-13(11)17-14-9-5-6-10-15(19)16(14)12(2)18-17/h3-4,7-8,18H,5-6,9-10H2,1-2H3","","2024-11-21","2025-03-28","3-methyl-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one","2025-04-02"],["ZY2","N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE","C32 H41 N5 O5 S","O=C(NC(Cc1ccccc1)C(O)CNCc2cccc(OC)c2)c5cc4c3c(N(CCN3CCS(=O)(=O)N4C)CC)c5;CCN1CCN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC)c5;CCN1CCN2CCS(=O)(=O)N(c3c2c1cc(c3)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)OC)O)C","InChI=1S/C32H41N5O5S/c1-4-36-13-14-37-15-16-43(40,41)35(2)28-19-25(20-29(36)31(28)37)32(39)34-27(18-23-9-6-5-7-10-23)30(38)22-33-21-24-11-8-12-26(17-24)42-3/h5-12,17,19-20,27,30,33,38H,4,13-16,18,21-22H2,1-3H3,(H,34,39)/t27-,30+/m0/s1","","2009-04-02","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1H,6H-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide",""],["XQ1","[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid","C17 H14 O4","c1ccc(OC)cc1c2ccc3c(coc3c2)CC(O)=O;COc1cccc(c1)c2ccc3c(CC(O)=O)coc3c2;COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O","InChI=1S/C17H14O4/c1-20-14-4-2-3-11(7-14)12-5-6-15-13(9-17(18)19)10-21-16(15)8-12/h2-8,10H,9H2,1H3,(H,18,19)","","2020-12-29","2021-08-06","[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid","2021-08-11"],["G9B","N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide","C29 H31 N9 O","O=C(Nc1cccc(c1)n2c6ccccc6nc2c5nc(c3cn(nc3)C4CCN(C)CC4)cnc5N)CC;CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4nc(cnc4N)c5cnn(c5)C6CCN(C)CC6;CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N","InChI=1S/C29H31N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h4-10,15-18,21H,3,11-14H2,1-2H3,(H2,30,31)(H,33,39)","","2014-09-16","2024-09-27","N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide","2016-01-13"],["ZY3","N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE","C31 H40 N4 O5 S","O=C(c1cc2c(c(NCC)c1)CCCS(=O)(=O)N2C)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4;CCNc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4;CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O","InChI=1S/C31H40N4O5S/c1-4-33-27-18-24(19-29-26(27)14-9-15-41(38,39)35(29)2)31(37)34-28(17-22-10-6-5-7-11-22)30(36)21-32-20-23-12-8-13-25(16-23)40-3/h5-8,10-13,16,18-19,28,30,32-33,36H,4,9,14-15,17,20-21H2,1-3H3,(H,34,37)/t28-,30+/m0/s1","","2009-04-02","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide",""],["XQ2","N-({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide","C33 H25 F N6 O3","O=Cc1ccc(CC(=O)NCc2ccc(cc2)n2c3nc(ccc3nc2c2cccnc2N)c2ccccc2)c(F)c1O;Nc1ncccc1c2nc3ccc(nc3n2c4ccc(CNC(=O)Cc5ccc(C=O)c(O)c5F)cc4)c6ccccc6;c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)Cc6ccc(c(c6F)O)C=O","InChI=1S/C33H25FN6O3/c34-29-22(10-11-23(19-41)30(29)43)17-28(42)37-18-20-8-12-24(13-9-20)40-32(25-7-4-16-36-31(25)35)39-27-15-14-26(38-33(27)40)21-5-2-1-3-6-21/h1-16,19,43H,17-18H2,(H2,35,36)(H,37,42)","","2023-11-07","2024-09-27","N-({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide","2024-09-04"],["ZY4","N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE","C29 H38 N4 O6 S","O=C(NC(Cc1ccccc1)C(O)(O)CNC2CCOCC2)c5cc3n(cc4c3c(N(C)S(=O)(=O)CC4)c5)CC;CCn1cc2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4ccccc4)C(O)(O)CNC5CCOCC5;CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4ccccc4)C(CNC5CCOCC5)(O)O","InChI=1S/C29H38N4O6S/c1-3-33-18-21-11-14-40(37,38)32(2)24-16-22(17-25(33)27(21)24)28(34)31-26(15-20-7-5-4-6-8-20)29(35,36)19-30-23-9-12-39-13-10-23/h4-8,16-18,23,26,30,35-36H,3,9-15,19H2,1-2H3,(H,31,34)/t26-/m0/s1","","2009-04-02","2011-06-04","N-[(1S)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2H-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide",""],["A1IVB","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C14 H22 N5 O7 P S","CCCCSc1nc2c(N)ncnc2n1[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CCCCSc1nc2c(ncnc2n1C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C14H22N5O7PS/c1-2-3-4-28-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(26-13)5-25-27(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H2,15,16,17)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1","","2024-11-28","2025-05-23","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2025-05-28"],["G9C","N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide","C24 H18 F3 N3 O","C[CH](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4;CC(c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F","InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1","","2020-08-06","2021-04-23","~{N}-[(1~{S})-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide","2021-04-28"],["A1IVC","N4-(3-chloranyl-2-piperidin-1-yl-phenyl)-N1,N1-dimethyl-benzene-1,4-disulfonamide","C19 H24 Cl N3 O4 S2","CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)c2N3CCCCC3;CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2N3CCCCC3)Cl","InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3","","2024-11-28","2025-05-30","~{N}4-(3-chloranyl-2-piperidin-1-yl-phenyl)-~{N}1,~{N}1-dimethyl-benzene-1,4-disulfonamide","2025-06-04"],["XQ3","N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide","C28 H32 Cl2 N4 O6 S2","Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1;CC(C)C[CH](NC(=O)c1sc2ccccc2c1)C(=O)N3CCN(CC3)C(=O)[CH](CO)N[S](=O)(=O)c4ccc(Cl)cc4Cl;CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)c2ccc(cc2Cl)Cl)NC(=O)c3cc4ccccc4s3","InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1","GSK1016790A","2022-12-05","2023-07-07","N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide","2023-07-12"],["ZY5","4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL","C18 H18 N2 O2","Oc1ccc(c(OC)c1)C=C2C(=NCCC2)c3cccnc3;COc1cc(O)ccc1C=C2CCCN=C2c3cccnc3;COc1cc(ccc1C=C2CCCN=C2c3cccnc3)O","InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+","","2009-07-07","2011-06-04","4-[(E)-5,6-dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol",""],["G9D","3-(morpholin-4-ylmethyl)-1,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one","C15 H16 N4 O2","O=C1NN=C(CN2CCOCC2)c3c[nH]c4cccc1c34;c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4","InChI=1S/C15H16N4O2/c20-15-10-2-1-3-12-14(10)11(8-16-12)13(17-18-15)9-19-4-6-21-7-5-19/h1-3,8,16H,4-7,9H2,(H,18,20)","","2009-11-03","2011-06-04","",""],["ZY6","1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine","C17 H19 N5 O","n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN;NC[CH]1CN(CCO1)c2c3cn[nH]c3ncc2c4ccccc4;c1ccc(cc1)c2cnc3c(c2N4CCOC(C4)CN)cn[nH]3","InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1","","2009-07-03","2011-06-04","1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine",""],["XQ4","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)","C36 H51 Cl N4 O10","N1(C(CC(C4(C(C(C3CC(C(OC)C=CC=C(C)Cc2cc(OC)c(Cl)c1c2)(NC(=O)O3)O)C)O4)C)OC(=O)C(C)N(C)C(CCNC)=O)=O)C;CNCCC(=O)N(C)[CH](C)C(=O)O[CH]1CC(=O)N(C)c2cc(CC(=CC=C[CH](OC)[C]3(O)C[CH](OC(=O)N3)[CH](C)[CH]4O[C]14C)C)cc(OC)c2Cl;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCNC)C)C)OC)(NC(=O)O2)O","InChI=1S/C36H51ClN4O10/c1-20-11-10-12-27(48-9)36(46)19-26(49-34(45)39-36)21(2)32-35(4,51-32)28(50-33(44)22(3)40(6)29(42)13-14-38-5)18-30(43)41(7)24-16-23(15-20)17-25(47-8)31(24)37/h10-12,16-17,21-22,26-28,32,38,46H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1","","2020-12-30","2021-12-17","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)","2021-12-22"],["A1IVD","N,N-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide","C22 H26 F3 N3 O4 S2","CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)N2CC3(CCN(CC3)CC(F)(F)F)c4ccccc24;CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CC3(CCN(CC3)CC(F)(F)F)c4c2cccc4","InChI=1S/C22H26F3N3O4S2/c1-26(2)33(29,30)17-7-9-18(10-8-17)34(31,32)28-15-21(19-5-3-4-6-20(19)28)11-13-27(14-12-21)16-22(23,24)25/h3-10H,11-16H2,1-2H3","","2024-11-28","2025-05-30","~{N},~{N}-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2~{H}-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide","2025-06-04"],["G9E","[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone","C22 H21 F3 N4 O3","COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4N;COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F","InChI=1S/C22H21F3N4O3/c1-31-14-2-5-17-19(11-14)27-12-28-20(17)13-6-8-29(9-7-13)21(30)16-4-3-15(10-18(16)26)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3","","2018-09-07","2019-02-22","[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone","2019-02-27"],["A1IVQ","[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate","C27 H35 N3 O4 S","CC(C)Cc1ccc(cc1)[S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4ccccc34;CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4","InChI=1S/C27H35N3O4S/c1-20(2)17-21-7-9-23(10-8-21)35(32,33)29-13-16-30-14-11-22(12-15-30)19-34-27(31)25-18-28-26-6-4-3-5-24(25)26/h3-10,18,20,22,28-29H,11-17,19H2,1-2H3","","2024-12-03","2025-07-25","[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate","2025-07-30"],["ZY7","(3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE","C19 H20 N2 O2","O(c1ccc(c(OC)c1)C=C2C(=NCCC2)c3cccnc3)C;COc1ccc(C=C2CCCN=C2c3cccnc3)c(OC)c1;COc1ccc(c(c1)OC)C=C2CCCN=C2c3cccnc3","InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+","","2009-07-09","2011-06-04","(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine",""],["G9F","2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one","C21 H24 N4 O2","CN(C)CCCOc1ccc(cc1)c2nc3cccc4C(=O)NCCn2c34;CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O","InChI=1S/C21H24N4O2/c1-24(2)12-4-14-27-16-9-7-15(8-10-16)20-23-18-6-3-5-17-19(18)25(20)13-11-22-21(17)26/h3,5-10H,4,11-14H2,1-2H3,(H,22,26)","1-[4-(3-Dimethylamino-propoxy)-phenyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6","2009-11-03","2020-06-17","",""],["XQ5","7-[(1~{S})-1-[4-(carbamimidamidomethyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C23 H24 F N7 O4 S","C[CH](n1cc(CNC(N)=N)nn1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)n4cc(nn4)CNC(=N)N","InChI=1S/C23H24FN7O4S/c1-12(31-10-15(29-30-31)9-27-23(25)26)16-4-3-5-17-19(21(22(32)33)28-20(16)17)13-6-7-14(18(24)8-13)11-36(2,34)35/h3-8,10,12,28H,9,11H2,1-2H3,(H,32,33)(H4,25,26,27)/t12-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[4-(carbamimidamidomethyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XQ6","(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one","C41 H43 Cl F4 N8 O2","FC(F)(F)c1c(C)cc(N)nc1c1c(F)c2nc(nc(N3CCN(CC3C)C(=O)/C=C/c3cccc4CCNCc43)c2cc1Cl)OCC12CC(=C)CN2CCC1;C[CH]1CN(CCN1c2nc(OC[C]34CCCN3CC(=C)C4)nc5c(F)c(c(Cl)cc25)c6nc(N)cc(C)c6C(F)(F)F)C(=O)C=Cc7cccc8CCNCc78;Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N4CCN(CC4C)C(=O)C=Cc5cccc6c5CNCC6)OCC78CCCN7CC(=C)C8)Cl)N","InChI=1S/C41H43ClF4N8O2/c1-23-18-40(11-5-13-53(40)20-23)22-56-39-50-36-28(17-30(42)33(35(36)43)37-34(41(44,45)46)24(2)16-31(47)49-37)38(51-39)54-15-14-52(21-25(54)3)32(55)9-8-26-6-4-7-27-10-12-48-19-29(26)27/h4,6-9,16-17,25,48H,1,5,10-15,18-22H2,2-3H3,(H2,47,49)/b9-8+/t25-,40-/m0/s1","","2023-11-08","2023-12-15","(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one","2023-12-20"],["ZY8","(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol","C26 H25 N O4","OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54;Oc1ccc2C[CH]3N(CC[C]45[CH](Oc1c24)c6oc7ccccc7c6C[C]35O)CC8CC8;c1ccc2c(c1)c3c(o2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8","InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1","","2023-04-17","2023-05-12","(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol","2023-05-17"],["G9G","2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5H)-one","C17 H18 N4 O","CN1CCN(CC1)c2ccc3NC(=O)c4ccccc4c3n2;CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3","InChI=1S/C17H18N4O/c1-20-8-10-21(11-9-20)15-7-6-14-16(19-15)12-4-2-3-5-13(12)17(22)18-14/h2-7H,8-11H2,1H3,(H,18,22)","","2009-11-03","2011-06-04","2-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-6-one",""],["A1IVU","~{N}-(3,4-dichlorophenyl)pyridin-4-amine","C11 H8 Cl2 N2","Clc1ccc(Nc2ccncc2)cc1Cl;c1cc(c(cc1Nc2ccncc2)Cl)Cl","InChI=1S/C11H8Cl2N2/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-7H,(H,14,15)","","2024-12-05","2025-05-16","~{N}-(3,4-dichlorophenyl)pyridin-4-amine","2025-05-21"],["G9H","2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one","C13 H16 N4 O","CN(C)Cc1nc2cccc3C(=O)NCCn1c23;CN(C)Cc1nc2cccc3c2n1CCNC3=O","InChI=1S/C13H16N4O/c1-16(2)8-11-15-10-5-3-4-9-12(10)17(11)7-6-14-13(9)18/h3-5H,6-8H2,1-2H3,(H,14,18)","1-Dimethylaminomethyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one","2009-11-03","2020-06-17","",""],["XQ7","(1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol","C16 H23 F2 N O2","FC1(CCC(CC1)COc2cccc(c2)C(O)CCN)F;NCC[CH](O)c1cccc(OCC2CCC(F)(F)CC2)c1;c1cc(cc(c1)OCC2CCC(CC2)(F)F)C(CCN)O","InChI=1S/C16H23F2NO2/c17-16(18)7-4-12(5-8-16)11-21-14-3-1-2-13(10-14)15(20)6-9-19/h1-3,10,12,15,20H,4-9,11,19H2/t15-/m1/s1","gem-difluoro-(R)-emixustat","2020-12-30","2021-05-28","(1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol","2021-06-02"],["ZY9","6-(aminomethyl)pyridine-2-carboxylic acid","C7 H8 N2 O2","NCc1cccc(n1)C(O)=O;c1cc(nc(c1)C(=O)O)CN","InChI=1S/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11)","","2018-10-24","2024-09-27","6-(aminomethyl)pyridine-2-carboxylic acid","2019-09-18"],["G9I","2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one","C23 H26 N4 O","O=C1NCCn2c(CCc3ccc(CN4CCCC4)cc3)nc5cccc1c25;c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5","InChI=1S/C23H26N4O/c28-23-19-4-3-5-20-22(19)27(15-12-24-23)21(25-20)11-10-17-6-8-18(9-7-17)16-26-13-1-2-14-26/h3-9H,1-2,10-16H2,(H,24,28)","1-[2-(4-Pyrrolidin-1-ylmethyl-phenyl)-ethyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one","2009-11-03","2021-03-13","",""],["XQ8","Geniposidic acid","C16 H22 O10","OC[CH]1O[CH](O[CH]2OC=C([CH]3CC=C(CO)[CH]23)C(O)=O)[CH](O)[CH](O)[CH]1O;C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO","InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1","","2023-11-08","2024-10-25","(1~{S},4~{a}~{S},7~{a}~{S})-7-(hydroxymethyl)-1-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,4~{a},5,7~{a}-tetrahydrocyclopenta[c]pyran-4-carboxylic acid","2024-10-30"],["A1IVV","(3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid","C16 H27 N3 O5","CCC(CC)O[CH]1[CH](NC(C)=O)[CH](N)C=C([CH]1NC(C)=O)C(O)=O;CCC(CC)OC1C(C(C=C(C1NC(=O)C)C(=O)O)N)NC(=O)C","InChI=1S/C16H27N3O5/c1-5-10(6-2)24-15-13(18-8(3)20)11(16(22)23)7-12(17)14(15)19-9(4)21/h7,10,12-15H,5-6,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t12-,13+,14+,15+/m0/s1","(3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid","2024-12-05","2025-12-12","(3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid","2025-12-17"],["ZYA","BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE","C21 H23 F N2 O5","FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C;C[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(=O)CF;CC(C(=O)CF)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc2ccccc2","InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide","1999-07-08","2024-09-27","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide",""],["G9J","(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol","C22 H17 I O3","CC=1c4c(OC(C=1c2cc(ccc2)O)c3ccc(cc3)I)ccc(c4)O;CC1=C([CH](Oc2ccc(O)cc12)c3ccc(I)cc3)c4cccc(O)c4;CC1=C(C(Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O","InChI=1S/C22H17IO3/c1-13-19-12-18(25)9-10-20(19)26-22(14-5-7-16(23)8-6-14)21(13)15-3-2-4-17(24)11-15/h2-12,22,24-25H,1H3/t22-/m0/s1","","2018-05-16","2019-02-15","(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol","2019-02-20"],["A1IVW","(3~{S},4~{R},5~{R},6~{R})-4-acetamido-3-azanyl-5-pentan-3-yloxy-6-(pent-4-ynoylamino)cyclohexene-1-carboxylic acid","C19 H29 N3 O5","CCC(CC)O[CH]1[CH](NC(C)=O)[CH](N)C=C([CH]1NC(=O)CCC#C)C(O)=O;CCC(CC)OC1C(C(C=C(C1NC(=O)CCC#C)C(=O)O)N)NC(=O)C","InChI=1S/C19H29N3O5/c1-5-8-9-15(24)22-16-13(19(25)26)10-14(20)17(21-11(4)23)18(16)27-12(6-2)7-3/h1,10,12,14,16-18H,6-9,20H2,2-4H3,(H,21,23)(H,22,24)(H,25,26)/t14-,16+,17+,18+/m0/s1","","2024-12-05","2025-12-12","(3~{S},4~{R},5~{R},6~{R})-4-acetamido-3-azanyl-5-pentan-3-yloxy-6-(pent-4-ynoylamino)cyclohexene-1-carboxylic acid","2025-12-17"],["ZYB","4-Fluorobenzamidoxime","C7 H7 F N2 O","Fc1ccc(C(=NO)N)cc1;NC(=NO)c1ccc(F)cc1;c1cc(ccc1C(=NO)N)F","InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)","","2014-03-21","2014-03-28","4-fluoro-N'-hydroxybenzenecarboximidamide","2014-04-02"],["XQ9","1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea","C17 H29 N3 O3 S","C[S](=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(CC(C4)C2)C3;CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3","InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)/t12-,13+,14-,17-","","2015-03-08","2015-05-08","1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea","2015-05-13"],["G9K","[2-(1H-indol-3-yl)-1H-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone","C21 H15 N3 O4","COc2c1c(OC=CO1)cc(c2)C(c3cnc(n3)c5c4c(cccc4)nc5)=O;COc1cc(cc2OC=COc12)C(=O)c3c[nH]c(n3)c4c[nH]c5ccccc45;COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5","InChI=1S/C21H15N3O4/c1-26-17-8-12(9-18-20(17)28-7-6-27-18)19(25)16-11-23-21(24-16)14-10-22-15-5-3-2-4-13(14)15/h2-11,22H,1H3,(H,23,24)","","2018-04-27","2018-09-07","[2-(1H-indol-3-yl)-1H-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone","2018-09-12"],["XQA","UDP-di-N-acetyl-alpha-bacillosamine","C19 H30 N4 O16 P2","O=C(NC3C(C)OC(OP(O)(=O)OP(OCC1OC(C(C1O)O)N2C(=O)NC(C=C2)=O)(=O)O)C(C3O)NC(C)=O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1NC(C)=O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C","InChI=1S/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10-,12-,13-,14-,15+,16-,17-,18-/m1/s1","","2020-12-31","2021-02-26","(2R,3R,4S,5S,6R)-3,5-bis(acetylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-03-03"],["A1IVZ","2-[2-oxidanylidene-2-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione","C22 H22 N2 O3","C[CH]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14;CC1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C","InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1","","2024-12-05","2025-05-30","2-[2-oxidanylidene-2-[(4~{R})-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione","2025-06-04"],["ZYC","ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","C12 H14 O4","O=C(OCC)C=Cc1cc(OC)c(O)cc1;CCOC(=O)C=Cc1ccc(O)c(OC)c1;CCOC(=O)C=Cc1ccc(c(c1)OC)O","InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+","ethyl ferulate","2010-10-29","2021-03-01","ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate",""],["XQB","2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid","C7 H9 N O6","O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O;C(C(C=O)O)C(C(=N)C(=O)O)C(=O)O","InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1","","2017-11-29","2018-04-20","(3~{S})-2-azanylidene-3-[(2~{S})-2-oxidanyl-3-oxidanylidene-propyl]butanedioic acid","2018-04-25"],["ZYD","(1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol","C27 H44 O3","OC3C(=C)C(=C/C=C1CCCC2(CCCCCCC(O)(C)C)CCCC12)CC(O)C3;CC(C)(O)CCCCCC[C]12CCC[CH]1C(CCC2)=CC=C3C[CH](O)C[CH](O)C3=C;CC(C)(CCCCCCC12CCCC1C(=CC=C3CC(CC(C3=C)O)O)CCC2)O","InChI=1S/C27H44O3/c1-20-22(18-23(28)19-25(20)29)13-12-21-10-8-16-27(17-9-11-24(21)27)15-7-5-4-6-14-26(2,3)30/h12-13,23-25,28-30H,1,4-11,14-19H2,2-3H3/b21-12+,22-13-/t23-,24+,25+,27-/m1/s1","","2010-10-27","2011-08-26","(1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["A1IW9","(3~{R})-3-phenoxypiperidine-2,6-dione","C11 H11 N O3","O=C1CC[CH](Oc2ccccc2)C(=O)N1;c1ccc(cc1)OC2CCC(=O)NC2=O","InChI=1S/C11H11NO3/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m1/s1","","2024-12-19","2025-10-24","(3~{R})-3-phenoxypiperidine-2,6-dione","2025-10-29"],["G9L","8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one","C20 H24 F N3 O2","Fc1ccc2C3=C(CCN(C3)C(=O)CCN4CCCCC4)NC(=O)c2c1;c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4","InChI=1S/C20H24FN3O2/c21-14-4-5-15-16(12-14)20(26)22-18-6-11-24(13-17(15)18)19(25)7-10-23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,13H2,(H,22,26)","","2009-11-03","2011-06-04","8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one",""],["A1IWA","[(2R,3S,4S)-4-oxidanyl-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidin-3-yl] ethanoate","C16 H19 N O4","CC(=O)O[CH]1[CH](O)CN[CH]1Cc2ccc(OCC#C)cc2;CC(=O)OC1C(CNC1Cc2ccc(cc2)OCC#C)O","InChI=1S/C16H19NO4/c1-3-8-20-13-6-4-12(5-7-13)9-14-16(21-11(2)18)15(19)10-17-14/h1,4-7,14-17,19H,8-10H2,2H3/t14-,15+,16+/m1/s1","","2024-12-06","2025-11-14","[(2~{R},3~{S},4~{S})-4-oxidanyl-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidin-3-yl] ethanoate","2025-11-19"],["G9M","N-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide","C23 H27 N5 O2","O=C(CN1CCC(CC1)N2CCCC2)Nc3ccc4NC(=O)c5ccccc5c4n3;c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O","InChI=1S/C23H27N5O2/c29-21(15-27-13-9-16(10-14-27)28-11-3-4-12-28)25-20-8-7-19-22(26-20)17-5-1-2-6-18(17)23(30)24-19/h1-2,5-8,16H,3-4,9-15H2,(H,24,30)(H,25,26,29)","","2009-11-03","2011-06-04","N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanamide",""],["XQC","4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol","C18 H23 N O4","Oc1ccc(cc1O)C(O)CNC(C)(C)Cc2ccc(O)cc2;CC(C)(Cc1ccc(O)cc1)NC[CH](O)c2ccc(O)c(O)c2;CC(C)(Cc1ccc(cc1)O)NCC(c2ccc(c(c2)O)O)O","InChI=1S/C18H23NO4/c1-18(2,10-12-3-6-14(20)7-4-12)19-11-17(23)13-5-8-15(21)16(22)9-13/h3-9,17,19-23H,10-11H2,1-2H3/t17-/m0/s1","","2013-07-12","2013-09-20","4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol","2013-09-25"],["ZYE","N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE","C33 H38 N4 O4","O=C5N(c1cc(cc2c1ccn2CC)C(=O)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4)CCC5;CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC)c5;CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)OC)O","InChI=1S/C33H38N4O4/c1-3-36-16-14-27-29(36)19-25(20-30(27)37-15-8-13-32(37)39)33(40)35-28(18-23-9-5-4-6-10-23)31(38)22-34-21-24-11-7-12-26(17-24)41-2/h4-7,9-12,14,16-17,19-20,28,31,34,38H,3,8,13,15,18,21-22H2,1-2H3,(H,35,40)/t28-,31+/m0/s1","","2009-04-02","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1H-indole-6-carboxamide",""],["ZYF","(9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid","C37 H53 N5 O12","O=C(NC(C(=O)OC(C)CC(=O)NC1C(=O)N(O)CCCC1)CCCCN(O)C(=O)C=C/CCCCCCCC(=O)O)C2N=C(OC2)c3c(O)cccc3;C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)OC(=O)[CH](CCCCN(O)C(=O)C=CCCCCCCCC(O)=O)NC(=O)[CH]2COC(=N2)c3ccccc3O;CC(CC(=O)NC1CCCCN(C1=O)O)OC(=O)C(CCCCN(C(=O)C=CCCCCCCCC(=O)O)O)NC(=O)C2COC(=N2)c3ccccc3O","InChI=1S/C37H53N5O12/c1-25(23-31(44)38-27-16-11-14-22-42(52)36(27)49)54-37(50)28(39-34(48)29-24-53-35(40-29)26-15-9-10-18-30(26)43)17-12-13-21-41(51)32(45)19-7-5-3-2-4-6-8-20-33(46)47/h7,9-10,15,18-19,25,27-29,43,51-52H,2-6,8,11-14,16-17,20-24H2,1H3,(H,38,44)(H,39,48)(H,46,47)/b19-7-/t25-,27-,28-,29-/m0/s1","","2010-10-26","2011-09-30","(9Z)-11-{hydroxy[(5S)-6-{[(2S)-4-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-4-oxobutan-2-yl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid",""],["XQD","[(2~{R},3~{R},4~{S},5~{S},6~{R})-3-acetamido-5-[[(1~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C40 H66 N11 O32 P5 S","N6(C5C(C(C(COP(OP(OC4OC(C(NC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1C(C(O)C(O1)n2c3c(nc2)c(N)ncn3)OP(O)(=O)O)(C)O)C(O)C4NC(C)=O)C)(O)=O)(O)=O)O5)O)O)C(NC(C=C6)=O)=O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1N[C](C)(O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc56;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(C)(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O","InChI=1S/C40H66N11O32P5S/c1-17-23(27(56)24(47-18(2)52)37(77-17)81-88(72,73)83-86(68,69)74-12-19-26(55)28(57)35(78-19)50-10-7-22(54)48-38(50)61)49-40(5,62)89-11-9-42-21(53)6-8-43-34(60)31(59)39(3,4)14-76-87(70,71)82-85(66,67)75-13-20-30(80-84(63,64)65)29(58)36(79-20)51-16-46-25-32(41)44-15-45-33(25)51/h7,10,15-17,19-20,23-24,26-31,35-37,49,55-59,62H,6,8-9,11-14H2,1-5H3,(H,42,53)(H,43,60)(H,47,52)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,41,44,45)(H,48,54,61)(H2,63,64,65)/t17-,19-,20-,23-,24-,26-,27+,28-,29-,30-,31+,35-,36-,37-,40+/m1/s1","","2020-12-31","2021-02-26","(2R,3R,4S,5S,6R)-3-(acetylamino)-5-({(3R,5S,9R,19S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-19-yl}amino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-03-03"],["G9N","(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide","C23 H22 Cl2 N2 O3 S","COc1ccc(cc1Cl)N([CH](C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl;COc1ccc(cc1Cl)N(C(c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl","InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)/t22-/m1/s1","","2018-09-07","2024-09-27","(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide","2020-04-01"],["XQE","7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H27 F N6 O6 S","C[CH](n1cc(CNC(=O)[CH](N)CO)nn1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)n4cc(nn4)CNC(=O)C(CO)N","InChI=1S/C25H27FN6O6S/c1-13(32-10-16(30-31-32)9-28-24(34)20(27)11-33)17-4-3-5-18-21(23(25(35)36)29-22(17)18)14-6-7-15(19(26)8-14)12-39(2,37)38/h3-8,10,13,20,29,33H,9,11-12,27H2,1-2H3,(H,28,34)(H,35,36)/t13-,20-/m0/s1","","2023-06-08","2024-06-21","7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["ZYG","9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid","C35 H53 N5 O12","O=C(NC(CCCCN(O)C(=O)CCCCCCCC(=O)O)C(O)OC(C)CC(=O)NC1C(=O)N(O)CCCC1)C2N=C(OC2)c3c(O)cccc3;C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)O[CH](O)[CH](CCCCN(O)C(=O)CCCCCCCC(O)=O)NC(=O)[CH]2COC(=N2)c3ccccc3O;CC(CC(=O)NC1CCCCN(C1=O)O)OC(C(CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)C2COC(=N2)c3ccccc3O)O","InChI=1S/C35H53N5O12/c1-23(21-29(42)36-25-14-9-12-20-40(50)34(25)47)52-35(48)26(37-32(46)27-22-51-33(38-27)24-13-7-8-16-28(24)41)15-10-11-19-39(49)30(43)17-5-3-2-4-6-18-31(44)45/h7-8,13,16,23,25-27,35,41,48-50H,2-6,9-12,14-15,17-22H2,1H3,(H,36,42)(H,37,46)(H,44,45)/t23-,25-,26-,27-,35+/m0/s1","","2010-10-26","2011-09-30","9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(2S)-4-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-4-oxobutan-2-yl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid",""],["G9O","N-oxidanyltetradecanamide","C14 H29 N O2","CCCCCCCCCCCCCC(=O)NO;CCCCCCCCCCCCCC(=O)NO","InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h17H,2-13H2,1H3,(H,15,16)","","2020-08-06","2021-04-23","~{N}-oxidanyltetradecanamide","2021-04-28"],["A1IWF","(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole","C18 H16 F3 N O2","C[C]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F;CC1(CC(=NO1)c2ccccc2F)COCc3c(cccc3F)F","InChI=1S/C18H16F3NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3/t18-/m0/s1","","2024-12-10","2025-05-09","(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole","2025-05-14"],["ZYH","(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone","C25 H30 N6 O2","O=C(c1ccc2nc(oc2c1)C3CCCCC3)N6CC(N5CCN(c4ncccn4)CC5)C6;O=C(N1CC(C1)N2CCN(CC2)c3ncccn3)c4ccc5nc(oc5c4)C6CCCCC6;c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6","InChI=1S/C25H30N6O2/c32-24(19-7-8-21-22(15-19)33-23(28-21)18-5-2-1-3-6-18)31-16-20(17-31)29-11-13-30(14-12-29)25-26-9-4-10-27-25/h4,7-10,15,18,20H,1-3,5-6,11-14,16-17H2","","2010-10-26","2025-07-15","(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone",""],["A1IWO","1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole","C15 H14 Cl N5 O","Clc1cnc(nc1O[CH]2CCNC2)n3cnc4ccccc34;c1ccc2c(c1)ncn2c3ncc(c(n3)OC4CCNC4)Cl","InChI=1S/C15H14ClN5O/c16-11-8-18-15(20-14(11)22-10-5-6-17-7-10)21-9-19-12-3-1-2-4-13(12)21/h1-4,8-10,17H,5-7H2","","2024-12-18","2025-03-07","1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole","2025-03-12"],["XQF","(2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[(2-chloranyl-2-fluoranyl-ethanoyl)-[4-(trifluoromethyloxy)phenyl]amino]-2-pyrimidin-5-yl-propanamide","C22 H21 Cl F6 N4 O3","C[C](N(C(=O)[CH](F)Cl)c1ccc(OC(F)(F)F)cc1)(C(=O)NC2CCC(F)(F)CC2)c3cncnc3;CC(c1cncnc1)(C(=O)NC2CCC(CC2)(F)F)N(c3ccc(cc3)OC(F)(F)F)C(=O)C(F)Cl","InChI=1S/C22H21ClF6N4O3/c1-20(13-10-30-12-31-11-13,19(35)32-14-6-8-21(25,26)9-7-14)33(18(34)17(23)24)15-2-4-16(5-3-15)36-22(27,28)29/h2-5,10-12,14,17H,6-9H2,1H3,(H,32,35)/t17-,20-/m1/s1","","2023-11-08","2025-05-02","(2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[(2-chloranyl-2-fluoranyl-ethanoyl)-[4-(trifluoromethyloxy)phenyl]amino]-2-pyrimidin-5-yl-propanamide","2025-05-07"],["G9P","(11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid","C15 H11 N O5 S","O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[CH](c2c1)c34;c1cc2c3c(c1)Oc4ccc(cc4C3CNC2=O)S(=O)(=O)O","InChI=1S/C15H11NO5S/c17-15-9-2-1-3-13-14(9)11(7-16-15)10-6-8(22(18,19)20)4-5-12(10)21-13/h1-6,11H,7H2,(H,16,17)(H,18,19,20)/t11-/m1/s1","1,11b-Dihydro-[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one-10-sulphonic acid","2009-11-03","2020-06-17","",""],["ZYI","N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide","C14 H15 Cl N2 O2","Clc1cc2nc(oc2cc1)NC(=O)CC3CCCC3;Clc1ccc2oc(NC(=O)CC3CCCC3)nc2c1;c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3","InChI=1S/C14H15ClN2O2/c15-10-5-6-12-11(8-10)16-14(19-12)17-13(18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17,18)","","2010-10-25","2011-06-04","N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide",""],["XQG","6-METHYLSULFANYL-9H-PURINE","C6 H6 N4 S","CSc1ncnc2[nH]cnc12;CSc1c2c([nH]cn2)ncn1","InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)","","2011-03-25","2011-06-10","6-methylsulfanyl-9H-purine",""],["A1IWR","(5-methyl-1,2-oxazol-3-yl)methanamine","C5 H8 N2 O","Cc1onc(CN)c1;Cc1cc(no1)CN","InChI=1S/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3","","2024-12-19","2025-01-31","(5-methyl-1,2-oxazol-3-yl)methanamine","2025-02-05"],["G9Q","4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid","C23 H25 N O2","CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc3ccc(cc3)C(O)=O;CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C","InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)","","2018-09-07","2018-11-23","4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid","2018-11-28"],["A1IWU","5-(aminomethyl)pyridin-2-amine","C6 H9 N3","NCc1ccc(N)nc1;c1cc(ncc1CN)N","InChI=1S/C6H9N3/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3,7H2,(H2,8,9)","","2024-12-19","2025-01-31","5-(aminomethyl)pyridin-2-amine","2025-02-05"],["G9R","CHLOROPHYLL D ISOMER","C54 H70 Mg N4 O6","CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C;CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=O)C","InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H-,55,56,57,58,59,61);/q-1;+2/p-1/b33-24+;/t31-,32-,35+,39+,50+;/m1./s1","","2020-08-07","2021-03-26","","2021-03-31"],["XQI","METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE","C9 H10 O4","O=C(OC)Cc1cc(O)cc(O)c1;COC(=O)Cc1cc(O)cc(O)c1;COC(=O)Cc1cc(cc(c1)O)O","InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3","","2011-03-25","2011-06-10","methyl (3,5-dihydroxyphenyl)acetate",""],["ZYJ","(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline","C14 H18 N2 O5","O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2;COc1ccc(C=NO[CH]2CN[CH](C2)C(O)=O)cc1OC;COc1ccc(cc1OC)C=NOC2CC(NC2)C(=O)O","InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1","","2010-10-22","2024-09-27","(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline",""],["G9S","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate","C27 H53 N2 O8 P S","C(NC(CCNC(C(C(C)(COP(O)(=O)O)C)O)=O)=O)CSC(CCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C27H53N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h25,32H,4-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/t25-/m1/s1","","2018-05-16","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate","2019-04-03"],["A1IWV","(3~{R})-piperidin-3-ol","C5 H11 N O","O[CH]1CCCNC1;C1CC(CNC1)O","InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m1/s1","","2024-12-19","2025-01-31","(3~{R})-piperidin-3-ol","2025-02-05"],["ZYK","(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline","C14 H18 N2 O6","O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2;COc1ccc(cc1OC)C(=O)NO[CH]2CN[CH](C2)C(O)=O;COc1ccc(cc1OC)C(=O)NOC2CC(NC2)C(=O)O","InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1","3,4-dimethoxybenzamidoxy proline","2010-10-22","2024-09-27","(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline",""],["XQJ","1-iodo-3-methylbenzene","C7 H7 I","Cc1cc(ccc1)I;Cc1cccc(I)c1;Cc1cccc(c1)I","InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3","3-iodotoluene","2021-01-03","2021-10-22","1-iodo-3-methylbenzene","2021-10-27"],["ZYL","1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid","C19 H23 N O5","O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc2;CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1;CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O","InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)","","2010-10-21","2012-06-15","1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid",""],["XQK","METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE","C9 H9 N3 O3","O=C(OC)c2c(nnc2c1oncc1)C;COC(=O)c1c(C)n[nH]c1c2oncc2;Cc1c(c([nH]n1)c2ccno2)C(=O)OC","InChI=1S/C9H9N3O3/c1-5-7(9(13)14-2)8(12-11-5)6-3-4-10-15-6/h3-4H,1-2H3,(H,11,12)","","2011-03-25","2011-06-10","methyl 5-isoxazol-5-yl-3-methyl-1H-pyrazole-4-carboxylate",""],["G9U","(6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one","C20 H18 Br N O","Brc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1;c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Br","InChI=1S/C20H18BrNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1","","2020-08-10","2021-08-06","(6~{R})-6-[(6-bromanyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one","2021-08-11"],["ZYM","2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid","C19 H19 N O5","O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1)ccc2;OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1;c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O","InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)","","2010-10-21","2012-06-08","2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid",""],["G9V","6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","C24 H25 N5 O3","c3c(cc(C1=CN(CC[C@H]=C)C(c2nccc12)=O)c4c3n(C)cn4)C(N5CCOCC5)=O;Cn1cnc2c1cc(cc2C3=CN(CCC=C)C(=O)c4[nH]ccc34)C(=O)N5CCOCC5;Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5","InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3","","2018-05-17","2018-11-09","6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","2018-11-14"],["A1IWZ","(1~{Z},3~{E},5~{R},8~{S})-2,8-dimethyl-5-propan-2-yl-cyclodeca-1,3-diene","C15 H26","C[CH]1CCC=C(C)C=C[CH](CC1)C(C)C;CC1CCC=C(C=CC(CC1)C(C)C)C","InChI=1S/C15H26/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,8,10,12,14-15H,5,7,9,11H2,1-4H3/b10-8+,13-6-/t14-,15-/m1/s1","","2024-12-19","2025-12-19","(1~{Z},3~{E},5~{R},8~{S})-2,8-dimethyl-5-propan-2-yl-cyclodeca-1,3-diene","2025-12-24"],["XQL","1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea","C23 H24 F2 N6 O3","COCCNC(=O)Nc1cc(F)c(Oc2ccnc3[nH]cc(c4ccn(n4)C(C)C)c23)c(F)c1;CC(C)n1ccc(n1)c2c[nH]c3c2c(ccn3)Oc4c(cc(cc4F)NC(=O)NCCOC)F","InChI=1S/C23H24F2N6O3/c1-13(2)31-8-5-18(30-31)15-12-28-22-20(15)19(4-6-26-22)34-21-16(24)10-14(11-17(21)25)29-23(32)27-7-9-33-3/h4-6,8,10-13H,7,9H2,1-3H3,(H,26,28)(H2,27,29,32)","","2023-06-08","2024-06-21","1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea","2024-06-26"],["ZYN","6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide","C21 H23 Cl F N3 O4","Fc1ccc(cc1Cl)CN3C(=O)C2=C(O)C(=O)N(C(=C2CC3)C(=O)N(C)C)C(C)C;CC(C)N1C(=O)C(=C2C(=O)N(CCC2=C1C(=O)N(C)C)Cc3ccc(F)c(Cl)c3)O;CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C","InChI=1S/C21H23ClFN3O4/c1-11(2)26-17(20(29)24(3)4)13-7-8-25(19(28)16(13)18(27)21(26)30)10-12-5-6-15(23)14(22)9-12/h5-6,9,11,27H,7-8,10H2,1-4H3","","2010-10-04","2011-06-04","6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-3,5-dioxo-2-(propan-2-yl)-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide",""],["G9W","(3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one","C16 H19 N O2","O=C2c1c(c(ccc1)C)C3=C(N2)CC(OC3)C(C)C;CC(C)[CH]1CC2=C(CO1)c3c(C)cccc3C(=O)N2;Cc1cccc2c1C3=C(CC(OC3)C(C)C)NC2=O","InChI=1S/C16H19NO2/c1-9(2)14-7-13-12(8-19-14)15-10(3)5-4-6-11(15)16(18)17-13/h4-6,9,14H,7-8H2,1-3H3,(H,17,18)/t14-/m1/s1","","2012-08-01","2015-08-07","(3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one","2015-08-12"],["XQM","1-iodo-4-methylbenzene","C7 H7 I","Cc1ccc(I)cc1;Cc1ccc(I)cc1;Cc1ccc(cc1)I","InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3","4-iodotoluene","2021-01-03","2021-10-22","1-iodo-4-methylbenzene","2021-10-27"],["A1IXA","(3S)-3-phenylsulfanylpiperidine-2,6-dione","C11 H11 N O2 S","O=C1CC[CH](Sc2ccccc2)C(=O)N1;c1ccc(cc1)SC2CCC(=O)NC2=O","InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1","","2024-12-19","2025-10-24","(3~{S})-3-phenylsulfanylpiperidine-2,6-dione","2025-10-29"],["XQN","4-chloranyl-N-[[(3S)-1-oxidanyl-3H-2,1$l^{4}-benzoxaborol-3-yl]methyl]benzenesulfonamide","C14 H13 B Cl N O4 S","O[B-]1O[CH](CN[S](=O)(=O)c2ccc(Cl)cc2)c3ccccc13;[B-]1(c2ccccc2C(O1)CNS(=O)(=O)c3ccc(cc3)Cl)O","InChI=1S/C14H14BClNO4S/c16-10-5-7-11(8-6-10)22(19,20)17-9-14-12-3-1-2-4-13(12)15(18)21-14/h1-8,14-15,17-18H,9H2/q-1/t14-,15-/m1/s1","","2023-11-08","2024-11-15","4-chloranyl-~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]benzenesulfonamide","2024-11-20"],["ZYO","(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione","C22 H24 Cl F N6 O5 S","O=S5(=O)N(C1=NN(C(=O)c3c1n2c(C(=O)N(CC)CC2C)c3O)Cc4ccc(F)c(Cl)c4)CCN5C;CCN1C[CH](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)c(Cl)c4)N=C(N5CCN(C)[S]5(=O)=O)c23)C1=O;CCN1CC(n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CCN(S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C","InChI=1S/C22H24ClFN6O5S/c1-4-27-10-12(2)30-17-16(19(31)18(30)22(27)33)21(32)28(11-13-5-6-15(24)14(23)9-13)25-20(17)29-8-7-26(3)36(29,34)35/h5-6,9,12,31H,4,7-8,10-11H2,1-3H3/t12-/m0/s1","","2010-10-04","2011-06-04","(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione",""],["G9X","(6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one","C20 H18 Cl N O","Clc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1;c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Cl","InChI=1S/C20H18ClNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1","","2020-08-11","2021-08-06","(6~{R})-6-[(6-chloranyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one","2021-08-11"],["G9Y","6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","C22 H23 N3 O3","C(N1C(c4c(C(=C1)c2cc(ccc2)C(=O)N3CCOCC3)ccn4)=O)C/C=C;C=CCCN1C=C(c2cccc(c2)C(=O)N3CCOCC3)c4cc[nH]c4C1=O;C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4","InChI=1S/C22H23N3O3/c1-2-3-9-25-15-19(18-7-8-23-20(18)22(25)27)16-5-4-6-17(14-16)21(26)24-10-12-28-13-11-24/h2,4-8,14-15,23H,1,3,9-13H2","","2018-05-17","2018-10-26","6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","2018-10-31"],["ZYP","5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide","C20 H19 F N4 O4 S","O=S4(=O)N(c2nc(C(=O)NCc1ccc(F)cc1)c(O)c3ncccc23)CCCC4;Oc1c(nc(N2CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4;c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1","InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)","","2010-10-04","2011-06-04","5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide",""],["A1IXE","1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone","C19 H24 N4 O3 S","Cc1ccc(cc1)n2c(C)nnc2SCC(=O)N3CCOCCC34COC4;Cc1ccc(cc1)n2c(nnc2SCC(=O)N3CCOCCC34COC4)C","InChI=1S/C19H24N4O3S/c1-14-3-5-16(6-4-14)23-15(2)20-21-18(23)27-11-17(24)22-8-10-25-9-7-19(22)12-26-13-19/h3-6H,7-13H2,1-2H3","","2024-12-19","2025-08-08","1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone","2025-08-13"],["XQO","2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide","C13 H26 N2 O4","CCCCCN1[CH](CO)[CH](O)[CH](O)[CH]1CC(=O)NC;CCCCCN1C(C(C(C1CO)O)O)CC(=O)NC","InChI=1S/C13H26N2O4/c1-3-4-5-6-15-9(7-11(17)14-2)12(18)13(19)10(15)8-16/h9-10,12-13,16,18-19H,3-8H2,1-2H3,(H,14,17)/t9-,10+,12-,13+/m0/s1","","2015-08-05","2015-11-13","2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide","2015-11-18"],["ZYQ","N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE","C9 H11 N3 O2 S","O=C1NCCCc2nc(sc12)NC(=O)C;CC(=O)Nc1sc2C(=O)NCCCc2n1;CC(=O)Nc1nc2c(s1)C(=O)NCCC2","InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)","","2009-07-03","2011-06-04","N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide",""],["XQP","(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid","C20 H22 N6 O10 S","C(O)(C(NC(=O)C(C(=O)O)c1ccc(cc1)O)(C2OCC(=C(C(O)=O)N2)CSc3n(C)nnn3)OC)=O;CO[C](NC(=O)[CH](C(O)=O)c1ccc(O)cc1)([CH]2NC(=C(CO2)CSc3nnnn3C)C(O)=O)C(O)=O;Cn1c(nnn1)SCC2=C(NC(OC2)C(C(=O)O)(NC(=O)C(c3ccc(cc3)O)C(=O)O)OC)C(=O)O","InChI=1S/C20H22N6O10S/c1-26-19(23-24-25-26)37-8-10-7-36-17(21-13(10)16(31)32)20(35-2,18(33)34)22-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,17,21,27H,7-8H2,1-2H3,(H,22,28)(H,29,30)(H,31,32)(H,33,34)/t12-,17-,20-/m1/s1","","2021-01-04","2022-02-04","(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid","2022-02-09"],["G9Z","agropinic acid","C11 H17 N O8","OC[CH](O)[CH](O)[CH](O)[CH](O)CN1[CH](C=CC1=O)C(O)=O;C1=CC(=O)N(C1C(=O)O)CC(C(C(C(CO)O)O)O)O","InChI=1S/C11H17NO8/c13-4-7(15)10(18)9(17)6(14)3-12-5(11(19)20)1-2-8(12)16/h1-2,5-7,9-10,13-15,17-18H,3-4H2,(H,19,20)/t5-,6+,7+,9+,10+/m0/s1","","2018-09-11","2018-12-21","(2~{S})-5-oxidanylidene-1-[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]-2~{H}-pyrrole-2-carboxylic acid","2018-12-26"],["A1IXF","methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate","C16 H26 N4 O4 S","COC(=O)C1(CC(C)(C)OC(C)(C)C1)NCC(=O)Nc2sc(C)nn2;Cc1nnc(s1)NC(=O)CNC2(CC(OC(C2)(C)C)(C)C)C(=O)OC","InChI=1S/C16H26N4O4S/c1-10-19-20-13(25-10)18-11(21)7-17-16(12(22)23-6)8-14(2,3)24-15(4,5)9-16/h17H,7-9H2,1-6H3,(H,18,20,21)","","2024-12-19","2025-08-08","methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate","2025-08-13"],["ZYR","5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE","C10 H10 N2 O S","O=C1c2c3c(sc2N=CN1)CCCC3;O=C1NC=Nc2sc3CCCCc3c12;C1CCc2c(c3c(s2)N=CNC3=O)C1","InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)","","2009-07-03","2011-06-04","5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one",""],["A1APE","(2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C26 H38 N5 O21 P3","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(OCc3c(COP(=O)(O)O)cnc(C)c3O)C(NC(C)=O)C2NC(C)=O)C(O)C1O;CC(=O)N[CH]1[CH](CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)OCc4c(O)c(C)ncc4CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)COC2COC(C(C2NC(=O)C)NC(=O)C)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O","InChI=1S/C26H38N5O21P3/c1-11-21(35)15(14(6-27-11)7-48-53(39,40)41)8-46-16-9-47-25(20(29-13(3)33)19(16)28-12(2)32)51-55(44,45)52-54(42,43)49-10-17-22(36)23(37)24(50-17)31-5-4-18(34)30-26(31)38/h4-6,16-17,19-20,22-25,35-37H,7-10H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)(H,44,45)(H,30,34,38)(H2,39,40,41)/t16-,17+,19-,20+,22+,23+,24+,25+/m0/s1","","2024-04-22","2024-06-28","(2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2024-07-03"],["GA","GALLIUM (III) ION","Ga","[Ga+3];[Ga+3];[Ga+3]","InChI=1S/Ga/q+3","","1999-07-08","2011-06-04","gallium",""],["XQQ","4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide","C26 H25 N7 O2","O=C(C=CC)N1CCCC1c1nc(c2ccc(cc2)C(=O)Nc2ccccn2)c2n1ccnc2N;CC=CC(=O)N1CCC[CH]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5n2ccnc5N;CC=CC(=O)N1CCCC1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5","InChI=1S/C26H25N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h2-4,6,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/b6-2+/t19-/m0/s1","4-{(4S)-8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide","2022-12-05","2024-09-27","4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide","2023-07-05"],["GA0","GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE","C20 H24 N4 O3","O=C(Nc2cc1ccccc1cc2)C3N(C(=O)C(NC(=O)CN)C)CCC3;C[CH](NC(=O)CN)C(=O)N1CCC[CH]1C(=O)Nc2ccc3ccccc3c2;CC(C(=O)N1CCCC1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN","InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1","GLYCYL-ALANYL-PROLINE-BETA-NAPHTHYLAMIDE","2006-01-16","2020-06-17","glycyl-L-alanyl-N-naphthalen-2-yl-L-prolinamide",""],["XQR","S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate","C22 H19 F3 N4 O3 S2","FC(F)(F)c1ccc(cc1)Cc1ncnc2CCN(Cc12)C(=O)Sc1ccc(cc1)S(N)(=O)=O;N[S](=O)(=O)c1ccc(SC(=O)N2CCc3ncnc(Cc4ccc(cc4)C(F)(F)F)c3C2)cc1;c1cc(ccc1Cc2c3c(ncn2)CCN(C3)C(=O)Sc4ccc(cc4)S(=O)(=O)N)C(F)(F)F","InChI=1S/C22H19F3N4O3S2/c23-22(24,25)15-3-1-14(2-4-15)11-20-18-12-29(10-9-19(18)27-13-28-20)21(30)33-16-5-7-17(8-6-16)34(26,31)32/h1-8,13H,9-12H2,(H2,26,31,32)","","2023-06-08","2024-12-13","S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate","2024-12-18"],["ZYS","[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone","C14 H17 N3 O S","O=C(c1sc(nc1N)NC(C)(C)C)c2ccccc2;CC(C)(C)Nc1sc(c(N)n1)C(=O)c2ccccc2;CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N","InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)","","2009-07-03","2011-06-04","[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone",""],["A1APF","(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide","C37 H45 N7 O3","Cn1cc(cn1)c1cnc(N)c(c1)C(=O)NC1CCCC1OCc1ccc(cc1)c1ccc(cc1)C(C)(C)N1CCN(CC=O)CC1;Cn1cc(cn1)c2cnc(N)c(c2)C(=O)N[CH]3CCC[CH]3OCc4ccc(cc4)c5ccc(cc5)C(C)(C)N6CCN(CC6)CC=O;CC(C)(c1ccc(cc1)c2ccc(cc2)COC3CCCC3NC(=O)c4cc(cnc4N)c5cnn(c5)C)N6CCN(CC6)CC=O","InChI=1S/C37H45N7O3/c1-37(2,44-17-15-43(16-18-44)19-20-45)31-13-11-28(12-14-31)27-9-7-26(8-10-27)25-47-34-6-4-5-33(34)41-36(46)32-21-29(22-39-35(32)38)30-23-40-42(3)24-30/h7-14,20-24,33-34H,4-6,15-19,25H2,1-3H3,(H2,38,39)(H,41,46)/t33-,34+/m1/s1","","2024-04-22","2024-10-04","(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide","2024-10-09"],["A1APQ","(4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide","C23 H23 N5 O4","OC1(C#Cc2ccc3C4CC(C4)n4c(C(=O)NC)c(nc4c3c2)C(N)=O)CCN(C)C1=O;CNC(=O)c1n2C3CC(C3)c4ccc(cc4c2nc1C(N)=O)C#C[C]5(O)CCN(C)C5=O;CNC(=O)c1c(nc-2n1C3CC(C3)c4c2cc(cc4)C#CC5(CCN(C5=O)C)O)C(=O)N","InChI=1S/C23H23N5O4/c1-25-21(30)18-17(19(24)29)26-20-16-9-12(5-6-23(32)7-8-27(2)22(23)31)3-4-15(16)13-10-14(11-13)28(18)20/h3-4,9,13-14,32H,7-8,10-11H2,1-2H3,(H2,24,29)(H,25,30)/t13-,14+,23-/m0/s1","","2024-04-25","2024-09-27","(4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide","2024-10-02"],["GA2","9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE","C9 H13 N5 O4","O=C2NC(=Nc1c2ncn1COC(CO)CO)N;NC1=Nc2n(COC(CO)CO)cnc2C(=O)N1;c1nc2c(n1COC(CO)CO)N=C(NC2=O)N","InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)","","1999-07-08","2011-06-04","2-amino-9-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}-1,9-dihydro-6H-purin-6-one",""],["ZYT","2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol","C9 H10 N2 O S2","Oc1nc(SC)nc1Cc2sccc2;CSc1[nH]c(Cc2sccc2)c(O)n1;CSc1[nH]c(c(n1)O)Cc2cccs2","InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11)","","2009-07-03","2011-06-04","2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol",""],["XQS","sibrafiban (active form)","C18 H24 N4 O5","C1(OCC(O)=O)CCN(CC1)C(=O)C(NC(c2ccc(/C(N)=N)cc2)=O)C;C[CH](NC(=O)c1ccc(cc1)C(N)=N)C(=O)N2CCC(CC2)OCC(O)=O;CC(C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)c2ccc(cc2)C(=N)N","InChI=1S/C18H24N4O5/c1-11(21-17(25)13-4-2-12(3-5-13)16(19)20)18(26)22-8-6-14(7-9-22)27-10-15(23)24/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,21,25)(H,23,24)/t11-/m0/s1","({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid; Ro-44-3888","2021-01-04","2022-06-10","({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid","2022-06-15"],["ZYU","6-MORPHOLIN-4-YL-9H-PURINE","C9 H11 N5 O","n2cnc1c(ncn1)c2N3CCOCC3;C1CN(CCO1)c2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)N3CCOCC3","InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)","4-(9H-PURIN-6-YL)MORPHOLINE","2009-07-03","2020-06-17","6-morpholin-4-yl-9H-purine",""],["GA3","GIBBERELLIN A3","C19 H22 O6","O=C(O)C5C21CC(O)(C(=C)C1)CCC2C34OC(=O)C(C)(C(O)C=C3)C45;C[C]12[CH](O)C=C[C]3(OC1=O)[CH]4CC[C]5(O)C[C]4(CC5=C)[CH]([CH]23)C(O)=O;CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O","InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1","(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epo\nxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid","2008-09-04","2020-06-17","(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid",""],["XQT","VU0424465","C19 H19 F N2 O2","C[CH](NC(=O)c1ccc(cn1)C#Cc2cccc(F)c2)C(C)(C)O;CC(C(C)(C)O)NC(=O)c1ccc(cn1)C#Cc2cccc(c2)F","InChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-13,24H,1-3H3,(H,22,23)/t13-/m1/s1","5-[2-(3-fluorophenyl)ethynyl]-~{N}-[(2~{R})-3-methyl-3-oxidanyl-butan-2-yl]pyridine-2-carboxamide","2023-11-08","2024-11-01","5-[2-(3-fluorophenyl)ethynyl]-~{N}-[(2~{R})-3-methyl-3-oxidanyl-butan-2-yl]pyridine-2-carboxamide","2024-11-06"],["A1APU","Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide","C36 H35 N3 O4 S","CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1;CNC(=O)[CH](Cc1ccc(C)c(OC)c1)NC(=O)CSc2ccc3ccccc3c2c4cncc(OCc5ccccc5)c4;Cc1ccc(cc1OC)CC(C(=O)NC)NC(=O)CSc2ccc3ccccc3c2c4cc(cnc4)OCc5ccccc5","InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1","","2024-04-26","2024-07-12","Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide","2024-07-17"],["XQU","nitrosochloramphenicol","C11 H14 Cl2 N2 O4","ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl;OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(NO)cc1;c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)NO","InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1","2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide","2022-12-05","2023-07-07","2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide","2023-07-12"],["GA4","GIBBERELLIN A4","C19 H24 O5","O=C(O)C4C21CC(C(=C)C1)CCC2C35OC(=O)C(C)(C34)C(O)CC5;C[C]12[CH](O)CC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O;CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O","InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1","","2001-11-26","2011-06-04","(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid",""],["ZYV","1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE","C10 H14 N6 O","n1cnc3ncnc3c1N2CC(OCC2)CN;NC[CH]1CN(CCO1)c2ncnc3nc[nH]c23;c1[nH]c2c(n1)ncnc2N3CCOC(C3)CN","InChI=1S/C10H14N6O/c11-3-7-4-16(1-2-17-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)/t7-/m0/s1","(4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE","2009-07-03","2020-06-17","1-[(2S)-4-(7H-purin-6-yl)morpholin-2-yl]methanamine",""],["ZYW","1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE","C11 H14 Br N5 O","Brc1cnc3c(c1N2CC(OCC2)CN)cnn3;NC[CH]1CN(CCO1)c2c(Br)cnc3[nH]ncc23;c1c2c(c(cnc2[nH]n1)Br)N3CCOC(C3)CN","InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1","","2009-07-03","2011-06-04","1-[(2S)-4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine",""],["XQV","N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide","C21 H19 N5 O","c1(cccc(NC(CC)=O)c1)Nc3nn4cccc(c2ccccc2)c4n3;CCC(=O)Nc1cccc(Nc2nn3cccc(c4ccccc4)c3n2)c1;CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4","InChI=1S/C21H19N5O/c1-2-19(27)22-16-10-6-11-17(14-16)23-21-24-20-18(12-7-13-26(20)25-21)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,27)(H,23,25)","","2021-01-06","2024-09-27","N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide","2021-04-14"],["GA5","tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate","C37 H49 N3 O8 S","O(C)c1ccc(cc1)S(=O)(N(CC(O)C(NC(c3ccc2C(O)CCC(c2c3)NC(=O)OC(C)(C)C)=O)Cc4ccccc4)CC(C)C)=O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)c3ccc4[CH](O)CC[CH](NC(=O)OC(C)(C)C)c4c3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2ccc3c(c2)C(CCC3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C37H49N3O8S/c1-24(2)22-40(49(45,46)28-15-13-27(47-6)14-16-28)23-34(42)32(20-25-10-8-7-9-11-25)38-35(43)26-12-17-29-30(21-26)31(18-19-33(29)41)39-36(44)48-37(3,4)5/h7-17,21,24,31-34,41-42H,18-20,22-23H2,1-6H3,(H,38,43)(H,39,44)/t31-,32+,33+,34-/m1/s1","","2018-06-25","2018-10-26","tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate","2018-10-31"],["A1APZ","1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one","C23 H22 Cl F3 N4 O3 S","FC(F)(F)CCCn1c2ccc(Cl)cc2nc1CN1c2ccccc2C2(CN(C2)S(C)(=O)=O)C1=O;C[S](=O)(=O)N1CC2(C1)C(=O)N(Cc3nc4cc(Cl)ccc4n3CCCC(F)(F)F)c5ccccc25;CS(=O)(=O)N1CC2(C1)c3ccccc3N(C2=O)Cc4nc5cc(ccc5n4CCCC(F)(F)F)Cl","InChI=1S/C23H22ClF3N4O3S/c1-35(33,34)29-13-22(14-29)16-5-2-3-6-18(16)31(21(22)32)12-20-28-17-11-15(24)7-8-19(17)30(20)10-4-9-23(25,26)27/h2-3,5-8,11H,4,9-10,12-14H2,1H3","","2024-04-26","2024-07-05","1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one","2024-07-10"],["GA6","3-[4-(methylsulfonylamino)phenyl]benzoic acid","C14 H13 N O4 S","C[S](=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O;CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O","InChI=1S/C14H13NO4S/c1-20(18,19)15-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(16)17/h2-9,15H,1H3,(H,16,17)","","2017-07-27","2018-01-05","3-[4-(methylsulfonylamino)phenyl]benzoic acid","2018-01-10"],["ZYX","4-(2-AMINOETHYL)BENZENESULFONAMIDE","C8 H12 N2 O2 S","O=S(=O)(c1ccc(cc1)CCN)N;NCCc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1CCN)S(=O)(=O)N","InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)","P-AMINOETHYL BENZENESULFONAMIDE","2006-10-30","2021-03-01","4-(2-aminoethyl)benzenesulfonamide",""],["XQW","4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide","C23 H26 F3 N7 O5 S2","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCN(CC3)[S](=O)(=O)c4ccc(cc4)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)S(=O)(=O)c4ccc(cc4)S(=O)(=O)N)C(F)(F)F","InChI=1S/C23H26F3N7O5S2/c1-16-28-30-33(29-16)15-18-14-19(23(24,25)26)4-2-17(18)3-9-22(34)31-10-12-32(13-11-31)40(37,38)21-7-5-20(6-8-21)39(27,35)36/h2,4-8,14H,3,9-13,15H2,1H3,(H2,27,35,36)","","2023-06-08","2024-12-13","4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide","2024-12-18"],["XQX","cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone","C25 H30 N6 O","O=C(C1CC1)N1CCN(CC1)c1ccnn2cc(cc12)c1ccc(cc1)N1CCNCC1;O=C(C1CC1)N2CCN(CC2)c3ccnn4cc(cc34)c5ccc(cc5)N6CCNCC6;c1cc(ccc1c2cc3c(ccnn3c2)N4CCN(CC4)C(=O)C5CC5)N6CCNCC6","InChI=1S/C25H30N6O/c32-25(20-1-2-20)30-15-13-29(14-16-30)23-7-8-27-31-18-21(17-24(23)31)19-3-5-22(6-4-19)28-11-9-26-10-12-28/h3-8,17-18,20,26H,1-2,9-16H2","","2023-11-08","2024-11-01","cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone","2024-11-06"],["ZYY","N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide","C22 H26 F N5 O5 S","O=S(=O)(N(C3=NN(C(=O)c2c3n1c(C(=O)N(CC1C)C(C)C)c2O)Cc4ccc(F)cc4)C)C;CC(C)N1C[CH](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)cc4)N=C(N(C)[S](C)(=O)=O)c23)C1=O;CC1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C","InChI=1S/C22H26FN5O5S/c1-12(2)26-10-13(3)28-17-16(19(29)18(28)22(26)31)21(30)27(11-14-6-8-15(23)9-7-14)24-20(17)25(4)34(5,32)33/h6-9,12-13,29H,10-11H2,1-5H3/t13-/m0/s1","","2010-10-04","2011-06-04","N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-1,9-dioxo-8-(propan-2-yl)-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide",""],["GA7","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)","C20 H32 N5 O13 P","O=P(O)(OC(CC1C(C(O)C(O)C(C(O)CO)O1)O)C)OCC2C(O)C(O)C(O2)n3cnc4c3ncnc4N;C[CH](C[CH]1O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]1O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CC(CC1C(C(C(C(O1)C(CO)O)O)O)O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C20H32N5O13P/c1-7(2-9-12(28)14(30)15(31)17(36-9)8(27)3-26)38-39(33,34)35-4-10-13(29)16(32)20(37-10)25-6-24-11-18(21)22-5-23-19(11)25/h5-10,12-17,20,26-32H,2-4H2,1H3,(H,33,34)(H2,21,22,23)/t7-,8+,9+,10-,12-,13-,14-,15+,16-,17-,20-/m1/s1","","2018-05-17","2018-08-31","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)","2018-09-05"],["A1AQB","(2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one","C10 H11 N3 O","Nc1cccc(c1)N1N=C(C)CC1=O;CC1=NN(C(=O)C1)c2cccc(N)c2;CC1=NN(C(=O)C1)c2cccc(c2)N","InChI=1S/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3","","2024-04-29","2024-05-24","(2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one","2024-05-29"],["GA8","tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate","C36 H47 N3 O7 S2","COc1ccc(cc1)S(=O)(N(CC(O)C(NC(c3ccc2SCCC(c2c3)NC(=O)OC(C)(C)C)=O)Cc4ccccc4)CC(C)C)=O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)c3ccc4SCC[CH](NC(=O)OC(C)(C)C)c4c3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2ccc3c(c2)C(CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C36H47N3O7S2/c1-24(2)22-39(48(43,44)28-15-13-27(45-6)14-16-28)23-32(40)31(20-25-10-8-7-9-11-25)37-34(41)26-12-17-33-29(21-26)30(18-19-47-33)38-35(42)46-36(3,4)5/h7-17,21,24,30-32,40H,18-20,22-23H2,1-6H3,(H,37,41)(H,38,42)/t30-,31-,32+/m0/s1","","2018-06-25","2018-10-26","tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate","2018-10-31"],["XQY","[3-(dibutylamino)propyl]phosphonic acid","C11 H26 N O3 P","C(CCP(O)(O)=O)N(CCCC)CCCC;CCCCN(CCCC)CCC[P](O)(O)=O;CCCCN(CCCC)CCCP(=O)(O)O","InChI=1S/C11H26NO3P/c1-3-5-8-12(9-6-4-2)10-7-11-16(13,14)15/h3-11H2,1-2H3,(H2,13,14,15)","","2021-01-06","2022-10-14","[3-(dibutylamino)propyl]phosphonic acid","2022-10-19"],["ZYZ","(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid","C16 H23 N O6 Se","O=C(OC(C)(C)C)NC(C(=O)OC)Cc1ccc(cc1)C[Se](=O)O;COC(=O)[CH](Cc1ccc(C[Se](O)=O)cc1)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NC(Cc1ccc(cc1)C[Se](=O)O)C(=O)OC","InChI=1S/C16H23NO6Se/c1-16(2,3)23-15(19)17-13(14(18)22-4)9-11-5-7-12(8-6-11)10-24(20)21/h5-8,13H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1","","2008-06-11","2011-06-04","(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid",""],["ZZ0","2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID","C12 H9 Cl N2 O2","Clc1ccc(cc1)Nc2ncccc2C(=O)O;OC(=O)c1cccnc1Nc2ccc(Cl)cc2;c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O","InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)","2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID","2009-06-30","2021-03-01","2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid",""],["GA9","3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE","C24 H13 Br2 Cl O4","Brc1c(O)ccc(c1)C4(OC(=O)c2c3c(c(Cl)cc2)cccc34)c5ccc(O)c(Br)c5;Oc1ccc(cc1Br)C2(OC(=O)c3ccc(Cl)c4cccc2c34)c5ccc(O)c(Br)c5;c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl","InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-3-1-2-14-19(27)7-6-15(22(14)16)23(30)31-24/h1-11,28-29H","4-CHLORO-3',3\"-DIBROMOPHENOL-1,8-NAPHTHALEIN","2005-08-03","2021-03-13","3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1H,3H-benzo[de]isochromen-1-one",""],["XQZ","N-T-Butylhydroxylamine","C4 H11 N O","CC(C)(C)NO;CC(C)(C)NO;CC(C)(C)NO","InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3","N-hydroxy-2-methylpropan-2-amine","2022-12-05","2023-11-06","N-hydroxy-2-methylpropan-2-amine","2023-07-12"],["A1AQE","methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate","C13 H16 F N O2","O=C(OC)C1(Cc2ccc(F)cc2)CCNC1;COC(=O)[C]1(CCNC1)Cc2ccc(F)cc2;COC(=O)C1(CCNC1)Cc2ccc(cc2)F","InChI=1S/C13H16FNO2/c1-17-12(16)13(6-7-15-9-13)8-10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3/t13-/m0/s1","","2024-04-29","2024-05-24","methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate","2024-05-29"],["XR0","3-fluoro-4-{[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]methyl}benzene-1-sulfonamide","C24 H27 F4 N7 O3 S","NS(=O)(=O)c1ccc(CN2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCN(CC3)Cc4ccc(cc4F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)Cc4ccc(cc4F)S(=O)(=O)N)C(F)(F)F","InChI=1S/C24H27F4N7O3S/c1-16-30-32-35(31-16)15-19-12-20(24(26,27)28)5-2-17(19)4-7-23(36)34-10-8-33(9-11-34)14-18-3-6-21(13-22(18)25)39(29,37)38/h2-3,5-6,12-13H,4,7-11,14-15H2,1H3,(H2,29,37,38)","","2023-06-08","2024-12-13","3-fluoro-4-{[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]methyl}benzene-1-sulfonamide","2024-12-18"],["GAA","3-nitrophenyl alpha-D-galactopyranoside","C12 H15 N O8","[O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)ccc2;OC[CH]1O[CH](Oc2cccc(c2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)OC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1","METANITROPHENYL-ALPHA-D-GALACTOSIDE; 3-nitrophenyl alpha-D-galactoside; 3-nitrophenyl D-galactoside; 3-nitrophenyl\ngalactoside","1999-07-08","2020-07-17","3-nitrophenyl alpha-D-galactopyranoside",""],["ZZ1","4-METHYL-2H-CHROMEN-2-ONE","C10 H8 O2","O=C2Oc1ccccc1C(=C2)C;CC1=CC(=O)Oc2ccccc12;CC1=CC(=O)Oc2c1cccc2","InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3","4-METHYLUMBELLIFERYL","2006-03-24","2020-06-17","4-methyl-2H-chromen-2-one",""],["XR1","6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C29 H28 Cl N7 O S","O=C3N(c4nc(ncc4C=C3c2c(Cl)cc(c1scnc1)cc2)Nc6ccc(N5CCN(C)CC5)cc6)CC;CCN1C(=O)C(=Cc2cnc(Nc3ccc(cc3)N4CCN(C)CC4)nc12)c5ccc(cc5Cl)c6scnc6;CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6","InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)","","2012-04-20","2013-08-23","6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","2013-08-28"],["ZZ2","4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine","C8 H13 N3 O2","O(c1nc(nc(c1)C)N)CCOC;COCCOc1cc(C)nc(N)n1;Cc1cc(nc(n1)N)OCCOC","InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)","4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine","2009-05-08","2020-06-17","4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine",""],["GAB","3-AMINOBENZOIC ACID","C7 H7 N O2","O=C(O)c1cc(N)ccc1;Nc1cccc(c1)C(O)=O;c1cc(cc(c1)N)C(=O)O","InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)","GABACULINE","1999-07-08","2020-06-17","3-aminobenzoic acid",""],["A1AQQ","[(2-{[(2S)-1-{(2S,4S)-4-[(7-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}hept-6-yn-1-yl)oxy]-2-[(2R)-2-phenylmorpholine-4-carbonyl]pyrrolidin-1-yl}-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-1-benzothiophen-5-yl)di(fluoro)methyl]phosphonic acid","C51 H56 F2 N5 O11 P S","O=C1NC(=O)CCC1N1Cc2c(cccc2C#CCCCCCOC2CC(C(=O)N3CC(OCC3)c3ccccc3)N(C2)C(=O)C(NC(=O)c2cc3cc(ccc3s2)C(F)(F)P(=O)(O)O)C(C)(C)C)C1=O;CC(C)(C)[CH](NC(=O)c1sc2ccc(cc2c1)C(F)(F)[P](O)(O)=O)C(=O)N3C[CH](C[CH]3C(=O)N4CCO[CH](C4)c5ccccc5)OCCCCCC#Cc6cccc7C(=O)N(Cc67)[CH]8CCC(=O)NC8=O;CC(C)(C)C(C(=O)N1CC(CC1C(=O)N2CCOC(C2)c3ccccc3)OCCCCCC#Cc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O)NC(=O)c7cc8cc(ccc8s7)C(F)(F)P(=O)(O)O","InChI=1S/C51H56F2N5O11PS/c1-50(2,3)44(55-46(61)42-26-33-25-34(18-20-41(33)71-42)51(52,53)70(65,66)67)49(64)57-28-35(27-39(57)48(63)56-22-24-69-40(30-56)32-14-9-7-10-15-32)68-23-11-6-4-5-8-13-31-16-12-17-36-37(31)29-58(47(36)62)38-19-21-43(59)54-45(38)60/h7,9-10,12,14-18,20,25-26,35,38-40,44H,4-6,11,19,21-24,27-30H2,1-3H3,(H,55,61)(H,54,59,60)(H2,65,66,67)/t35-,38+,39-,40-,44+/m0/s1","","2024-05-01","2024-09-27","[(2-{[(2S)-1-{(2S,4S)-4-[(7-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}hept-6-yn-1-yl)oxy]-2-[(2R)-2-phenylmorpholine-4-carbonyl]pyrrolidin-1-yl}-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-1-benzothiophen-5-yl)di(fluoro)methyl]phosphonic acid","2024-10-02"],["ZZ3","4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE","C5 H8 N4 S","S(c1nc(nc(n1)N)C)C;CSc1nc(C)nc(N)n1;Cc1nc(nc(n1)SC)N","InChI=1S/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)","","2009-05-08","2011-06-04","4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine",""],["A1AQR","(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide","C19 H21 Br N4 O","CC(C)=C/C1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C;CC(C)=C[CH]1[CH](C(=O)Nc2ccc(c(Br)n2)c3ncccn3)C1(C)C;CC(=CC1C(C1(C)C)C(=O)Nc2ccc(c(n2)Br)c3ncccn3)C","InChI=1S/C19H21BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-10,13,15H,1-4H3,(H,23,24,25)/t13-,15+/m0/s1","","2024-05-01","2024-11-29","(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide","2024-12-04"],["XR2","1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM","C34 H38 N8 O2","O=C(c2c1[nH+]c3c(cccc3nc1ccc2)C)NCC[NH2+]CC[NH2+]CCNC(=O)c5c4[nH+]c6c(nc4ccc5)cccc6C;Cc1cccc2nc3cccc(C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5nc6cccc(C)c6[nH+]c45)c3[nH+]c12;Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C","InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)/p+4","","2004-08-26","2011-06-07","4,4'-[ethane-1,2-diylbis(ammonioethane-2,1-diylcarbamoyl)]bis(6-methylphenazin-5-ium)",""],["GAC","DIHYDRO-ACARBOSE","C25 H45 N O18","O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2CC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C[CH](CO)[CH](O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4CC(C(C(C4O)O)O)CO","InChI=1S/C25H45NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h6-39H,2-5H2,1H3/t6-,7-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-/m1/s1","","1999-07-08","2020-07-17","4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["GAD","2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid","C6 H8 O5","O=C(O)C=1OCC(O)C(O)C=1;O[CH]1COC(=C[CH]1O)C(O)=O;C1C(C(C=C(O1)C(=O)O)O)O","InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1","","2004-01-06","2020-07-17","2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid",""],["XR3","N-[[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]methyl]-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]benzenesulfonamide","C14 H13 B N2 O6 S","O[B-]1O[CH](CN[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3ccccc13;[B-]1(c2ccccc2C(O1)CNS(=O)(=O)c3ccc(cc3)[N+](=O)[O-])O","InChI=1S/C14H14BN2O6S/c18-15-13-4-2-1-3-12(13)14(23-15)9-16-24(21,22)11-7-5-10(6-8-11)17(19)20/h1-8,14-16,18H,9H2/q-1/t14-,15-/m1/s1","","2023-11-08","2024-11-15","~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]benzenesulfonamide","2024-11-20"],["ZZ4","4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine","C16 H11 Cl2 N5","Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N;Nc1ncc(N=Nc2ccccc2)c(n1)c3ccc(Cl)cc3Cl;c1ccc(cc1)N=Nc2cnc(nc2c3ccc(cc3Cl)Cl)N","InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+","4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE","2009-05-08","2021-03-13","4-(2,4-dichlorophenyl)-5-[(E)-phenyldiazenyl]pyrimidin-2-amine",""],["XR4","N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)","C68 H88 Cl2 F2 N14 O13 S2","c6(C(NC5CCN(C(=O)CCOCCOCCOCCOCCOCCC(N1CCC(CC1)NC(=O)c2c(cc(cc2)Nc3ncc(c(n3)Nc4cc(c(cc4)Cl)NS(C(C)(C)C)(=O)=O)C)F)=O)CC5)=O)ccc(cc6F)Nc7nc(c(C)cn7)Nc8ccc(c(c8)NS(C(C)(C)C)(=O)=O)Cl;Cc1cnc(Nc2ccc(c(F)c2)C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCC(=O)N4CCC(CC4)NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c7)n6)cc5F)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c8;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C","InChI=1S/C68H88Cl2F2N14O13S2/c1-43-41-73-65(81-61(43)75-49-11-15-53(69)57(39-49)83-100(91,92)67(3,4)5)79-47-9-13-51(55(71)37-47)63(89)77-45-17-23-85(24-18-45)59(87)21-27-95-29-31-97-33-35-99-36-34-98-32-30-96-28-22-60(88)86-25-19-46(20-26-86)78-64(90)52-14-10-48(38-56(52)72)80-66-74-42-44(2)62(82-66)76-50-12-16-54(70)58(40-50)84-101(93,94)68(6,7)8/h9-16,37-42,45-46,83-84H,17-36H2,1-8H3,(H,77,89)(H,78,90)(H2,73,75,79,81)(H2,74,76,80,82)","","2021-01-07","2022-01-07","N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)","2022-01-12"],["GAE","D-galactaric acid","C6 H10 O8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O","InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-","","2009-06-09","2011-06-04","D-galactaric acid",""],["A1AQV","chlordecone","C10 H2 Cl10 O2","ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(O)(O)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl;OC1(O)C2(Cl)[C]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C]3(Cl)C1(Cl)[C]5(Cl)[C]24Cl;C12(C3(C4(C5(C3(C(C1(C5(C2(C4(O)O)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H2Cl10O2/c11-1-2(12)6(16)4(14)3(13,5(1,15)9(6,19)20)7(1,17)10(21,22)8(2,4)18/h21-22H/t1-,2+,3+,4-,5+,6-,7-,8+","(1R,1as,3s,3aR,4r,5ar,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene-2,2-diol","2024-05-06","2024-05-10","(1R,1as,3s,3aR,4r,5ar,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene-2,2-diol","2024-05-15"],["ZZ5","3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE","C17 H15 N5 O2 S","N#Cc1c(c2c(nc1N)sc(c2N)C(=O)N)c3ccc(OCC)cc3;CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23;CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N","InChI=1S/C17H15N5O2S/c1-2-24-9-5-3-8(4-6-9)11-10(7-18)15(20)22-17-12(11)13(19)14(25-17)16(21)23/h3-6H,2,19H2,1H3,(H2,20,22)(H2,21,23)","","2009-05-08","2011-06-04","3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide",""],["A1AQY","N-{(1R,2P)-6-chloro-5-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorocyclohexa-2,3,5-trien-1-yl}-3-fluoroazetidine-1-sulfonamide","C18 H15 Cl2 F2 N5 O3 S","O=S(=O)(Nc1ccc(F)c(Nc2ccc3N=CN(C)C(=O)c3c2Cl)c1Cl)N1CC(F)C1;CN1C=Nc2ccc(Nc3c(F)ccc(N[S](=O)(=O)N4CC(F)C4)c3Cl)c(Cl)c2C1=O;CN1C=Nc2ccc(c(c2C1=O)Cl)Nc3c(ccc(c3Cl)NS(=O)(=O)N4CC(C4)F)F","InChI=1S/C18H15Cl2F2N5O3S/c1-26-8-23-11-4-5-12(15(19)14(11)18(26)28)24-17-10(22)2-3-13(16(17)20)25-31(29,30)27-6-9(21)7-27/h2-5,8-9,24-25H,6-7H2,1H3","","2024-05-08","2025-05-09","N-{2-chloro-3-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoroazetidine-1-sulfonamide","2025-05-14"],["ZZ6","2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE","C15 H12 Cl2 N4 O S","Clc3ccc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(Cl)c3;CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1;CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl","InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21)","","2009-05-08","2011-06-04","2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide",""],["XR6","(2E)-N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-(2-phenoxyethyl)prop-2-enamide","C22 H22 F3 N5 O2","FC(F)(F)c1cc(Cn2nc(C)nn2)c(cc1)/C=C/C(=O)N(C)CCOc1ccccc1;CN(CCOc1ccccc1)C(=O)C=Cc2ccc(cc2Cn3nnc(C)n3)C(F)(F)F;Cc1nnn(n1)Cc2cc(ccc2C=CC(=O)N(C)CCOc3ccccc3)C(F)(F)F","InChI=1S/C22H22F3N5O2/c1-16-26-28-30(27-16)15-18-14-19(22(23,24)25)10-8-17(18)9-11-21(31)29(2)12-13-32-20-6-4-3-5-7-20/h3-11,14H,12-13,15H2,1-2H3","","2023-06-08","2024-12-13","(2E)-N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-(2-phenoxyethyl)prop-2-enamide","2024-12-18"],["GAF","2-deoxy-2-fluoro-alpha-D-galactopyranose","C6 H11 F O5","FC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)F)O)O)O","InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1","2-DEOXY-2-FLUORO-GALACTOSE; 2-deoxy-2-fluoro-alpha-D-galactose; 2-deoxy-2-fluoro-D-galactose","2004-02-11","2024-09-27","2-deoxy-2-fluoro-alpha-D-galactopyranose",""],["GAG","3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID","C4 H3 N O4","O=C(O)c1conc1O;OC(=O)c1conc1O;c1c(c(no1)O)C(=O)O","InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)","","2004-04-23","2011-06-04","3-hydroxyisoxazole-4-carboxylic acid",""],["A1AQZ","(5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione","C18 H21 N O6","Cc1cc(O)c(C)c2OC3C(NC(=O)c12)=C(C)C(=O)C(O)C3(C)OC;CO[C]1(C)[CH](O)C(=O)C(=C2NC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C;Cc1cc(c(c2c1C(=O)NC3=C(C(=O)C(C(C3O2)(C)OC)O)C)C)O","InChI=1S/C18H21NO6/c1-7-6-10(20)8(2)14-11(7)17(23)19-12-9(3)13(21)15(22)18(4,24-5)16(12)25-14/h6,15-16,20,22H,1-5H3,(H,19,23)/t15-,16+,18+/m1/s1","XC208","2024-05-08","2025-08-22","(5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione","2025-08-27"],["ZZ7","(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H21 N3 O5 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O)O)C","InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1","AMPICILLIN (open form)","2009-06-11","2024-09-27","(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["XR7","N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)","C44 H50 N4 O11 S2","c1(NS(CC)(=O)=O)ccc(c(c1)C=3c2ccccc2C(N(C=3)C)=O)OCCOCCOCCOCCOc4c(cc(cc4)NS(CC)(=O)=O)C5=CN(C)C(=O)c6ccccc56;CC[S](=O)(=O)Nc1ccc(OCCOCCOCCOCCOc2ccc(N[S](=O)(=O)CC)cc2C3=CN(C)C(=O)c4ccccc34)c(c1)C5=CN(C)C(=O)c6ccccc56;CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC","InChI=1S/C44H50N4O11S2/c1-5-60(51,52)45-31-15-17-41(37(27-31)39-29-47(3)43(49)35-13-9-7-11-33(35)39)58-25-23-56-21-19-55-20-22-57-24-26-59-42-18-16-32(46-61(53,54)6-2)28-38(42)40-30-48(4)44(50)36-14-10-8-12-34(36)40/h7-18,27-30,45-46H,5-6,19-26H2,1-4H3","","2021-01-07","2022-01-07","N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)","2022-01-12"],["ZZ8","2-(ACETYLAMINO)BENZOIC ACID","C9 H9 N O3","O=C(Nc1ccccc1C(=O)O)C;CC(=O)Nc1ccccc1C(O)=O;CC(=O)Nc1ccccc1C(=O)O","InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)","N-ACETYLANTHRANILATE","2009-05-22","2021-03-01","2-(acetylamino)benzoic acid",""],["X","2'-DEOXY-N7-(8,9-DIHYDRO-9-HYDROXY-10-DEHYDROXY-AFLATOXIN)GUANOSINE MONOPHOSPHATE","C27 H27 N5 O14 P","P(=O)(O)(O)OCC1OC(CC1O)n2c[n+](c3C(=O)NC(N)=Nc23)C8OC7Oc6cc(c5C=4CCC(=O)C=4C(Oc5c6C7C8O)=O)OC;COc1cc2O[CH]3O[CH]([CH](O)[CH]3c2c4OC(=O)C5=C(CCC5=O)c14)[n+]6cn([CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)c8N=C(N)NC(=O)c68;COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(C(OC5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)C8CC(C(O8)COP(=O)(O)O)O)O","InChI=1S/C27H26N5O14P/c1-41-11-5-12-17(21-16(11)8-2-3-9(33)15(8)25(37)45-21)18-20(35)24(46-26(18)44-12)32-7-31(22-19(32)23(36)30-27(28)29-22)14-4-10(34)13(43-14)6-42-47(38,39)40/h5,7,10,13-14,18,20,24,26,34-35H,2-4,6H2,1H3,(H4-,28,29,30,36,38,39,40)/p+1/t10-,13+,14+,18+,20+,24+,26-/m0/s1","","1999-07-08","2019-03-15","2'-deoxy-7-[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl]guanosine 5'-(dihydrogen phosphate)",""],["GAH","N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE","C38 H61 N11 O6","O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4;NC(=N)NCCCC[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH]2CCN2C(=O)[CH](CC3CCCCC3)NC(=O)[CH]4CC[CH](CC4)CNC(N)=N)C(N)=O;c1cc(ccc1CC(C(=O)NC(CCCCNC(=N)N)C(=O)N)NC(=O)C2CCN2C(=O)C(CC3CCCCC3)NC(=O)C4CCC(CC4)CNC(=N)N)O","InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1","TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE","2004-10-14","2021-03-01","N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide",""],["XR8","5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide","C28 H34 N4 O S","CC(NC(c1cc(ccc1C)NC2CNC2)=O)c5cc(c3sc(cc3)CN4CCCC4)ccc5;C[CH](NC(=O)c1cc(NC2CNC2)ccc1C)c3cccc(c3)c4sc(CN5CCCC5)cc4;Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5","InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1","","2021-01-12","2021-02-19","5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide","2021-02-24"],["ZZ9","5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine","C21 H36 N5 O8 P","O=P(O)(OC(O)CCCCCCCCCC)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCCCCCCCC[CH](O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCC(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C21H36N5O8P/c1-2-3-4-5-6-7-8-9-10-15(27)34-35(30,31)32-11-14-17(28)18(29)21(33-14)26-13-25-16-19(22)23-12-24-20(16)26/h12-15,17-18,21,27-29H,2-11H2,1H3,(H,30,31)(H2,22,23,24)/t14-,15-,17-,18-,21-/m1/s1","","2009-05-19","2011-06-04","5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine",""],["GAI","GUANIDINE","C H5 N3","[N@H]=C(N)N;NC(N)=N;C(=N)(N)N","InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)","","1999-07-08","2011-06-04","guanidine",""],["A1ARE","(3Z)-3-[(4-{[(2S)-1-methoxypropan-2-yl]carbamoyl}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide","C29 H32 N4 O4","CC(COC)NC(=O)c1c(C)[NH]c(/C=C2C(=O)N=C3CC=C(C=C23)C(=O)NC(C)c2ccccc2)c1C;COC[CH](C)NC(=O)c1c(C)[nH]c(C=C2C(=O)N=C3CC=C(C=C23)C(=O)N[CH](C)c4ccccc4)c1C;Cc1c([nH]c(c1C(=O)NC(C)COC)C)C=C2C3=CC(=CCC3=NC2=O)C(=O)NC(C)c4ccccc4","InChI=1S/C29H32N4O4/c1-16(15-37-5)30-29(36)26-17(2)25(31-19(26)4)14-23-22-13-21(11-12-24(22)33-28(23)35)27(34)32-18(3)20-9-7-6-8-10-20/h6-11,13-14,16,18,31H,12,15H2,1-5H3,(H,30,36)(H,32,34)/b23-14-/t16-,18+/m0/s1","","2024-05-13","2025-11-07","(3Z)-3-[(4-{[(2S)-1-methoxypropan-2-yl]carbamoyl}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide","2025-11-12"],["GAJ","N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE","C14 H9 N5 O4 S","O=S(=O)(/N=C1/NN=NN1)c3cc2C(=O)c4c(Oc2cc3)cccc4;O=C1c2ccccc2Oc3ccc(cc13)[S](=O)(=O)N=C4NN=NN4;c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4","InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)","N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE","2005-10-24","2020-06-17","N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide",""],["XR9","(9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile","C8 H6 B N O2","O[B-]1O[CH](C#N)c2ccccc12;[B-]1(c2ccccc2C(O1)C#N)O","InChI=1S/C8H7BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8-9,11H/q-1/t8-,9-/m1/s1","","2023-11-08","2024-11-15","(9~{S})-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile","2024-11-20"],["ZZA","1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID","C10 H8 N2 O2","O=C(O)c1cn(nc1)c2ccccc2;OC(=O)c1cnn(c1)c2ccccc2;c1ccc(cc1)n2cc(cn2)C(=O)O","InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)","","2007-09-27","2011-06-04","1-phenyl-1H-pyrazole-4-carboxylic acid",""],["A1ARF","(3Z)-3-[(4-{[(2R)-2-methoxypropyl]carbamoyl}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide","C29 H32 N4 O4","CC(OC)CNC(=O)c1c(C)[NH]c(/C=C2C(=O)N=C3CC=C(C=C23)C(=O)NC(C)c2ccccc2)c1C;CO[CH](C)CNC(=O)c1c(C)[nH]c(C=C2C(=O)N=C3CC=C(C=C23)C(=O)N[CH](C)c4ccccc4)c1C;Cc1c([nH]c(c1C(=O)NCC(C)OC)C)C=C2C3=CC(=CCC3=NC2=O)C(=O)NC(C)c4ccccc4","InChI=1S/C29H32N4O4/c1-16(37-5)15-30-29(36)26-17(2)25(31-19(26)4)14-23-22-13-21(11-12-24(22)33-28(23)35)27(34)32-18(3)20-9-7-6-8-10-20/h6-11,13-14,16,18,31H,12,15H2,1-5H3,(H,30,36)(H,32,34)/b23-14-/t16-,18-/m1/s1","","2024-05-13","2025-11-07","(3Z)-3-[(4-{[(2R)-2-methoxypropyl]carbamoyl}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide","2025-11-12"],["XRA","2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine","C19 H21 N5 O4","O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4;COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4;COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4","InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)","Prazosin","2010-09-24","2021-03-01","[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone",""],["GAK","[2Ga-2S] cluster","Ga2 S2","S1[Ga]S[Ga]1;S1[Ga]S[Ga]1","InChI=1S/2Ga.2S.2H","","2015-04-30","2015-09-18","1,3,2$l^{2},4$l^{2}-dithiadigalletane","2015-09-23"],["ZZB","[(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE","C19 H22 B F N6 O8 P","CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F;[B-]12(c3cc(c(cc3CO1)F)NCC)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)(O)O","InChI=1S/C19H22BFN6O8P/c1-2-23-12-4-10-9(3-11(12)21)5-31-20(10)34-15-13(6-32-36(28,29)30)33-19(16(15)35-20)27-8-26-14-17(22)24-7-25-18(14)27/h3-4,7-8,13,15-16,19,23H,2,5-6H2,1H3,(H2,22,24,25)(H2,28,29,30)/q-1/t13-,15-,16-,19-,20+/m1/s1","","2009-04-06","2011-06-04","[(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate",""],["A1ARO","2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine","C27 H31 F3 N4 O3 S","CN1CCC(Nc2cccc3n(CC(F)(F)F)c(C#CCNc4ccc(cc4OC)S(C)(=O)=O)cc23)CC1;COc1cc(ccc1NCC#Cc2cc3c(NC4CCN(C)CC4)cccc3n2CC(F)(F)F)[S](C)(=O)=O;CN1CCC(CC1)Nc2cccc3c2cc(n3CC(F)(F)F)C#CCNc4ccc(cc4OC)S(=O)(=O)C","InChI=1S/C27H31F3N4O3S/c1-33-14-11-19(12-15-33)32-23-7-4-8-25-22(23)16-20(34(25)18-27(28,29)30)6-5-13-31-24-10-9-21(38(3,35)36)17-26(24)37-2/h4,7-10,16-17,19,31-32H,11-15,18H2,1-3H3","","2024-05-13","2025-03-21","2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine","2025-03-26"],["XRB","5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile","C27 H27 N7 O3 S","O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N;Cc1cc(C=CC#N)cc(C)c1Oc2ccnc(Nc3ccc(N4CCN(CC4)[S](C)(=O)=O)c(c3)C#N)n2;Cc1cc(cc(c1Oc2ccnc(n2)Nc3ccc(c(c3)C#N)N4CCN(CC4)S(=O)(=O)C)C)C=CC#N","InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+","","2022-12-06","2023-10-13","5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile","2023-10-18"],["GAL","beta-D-galactopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1","beta-D-galactose; D-galactose; galactose","1999-07-08","2024-09-27","beta-D-galactopyranose",""],["ZZC","[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE","C15 H21 N5 O13 P2","CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(=O)C(C(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O)O","InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1","","2009-07-23","2024-09-27","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate",""],["GAM","ALPHA-METHYL-L-GLUTAMIC ACID","C6 H11 N O4","O=C(O)CCC(N)(C(=O)O)C;C[C](N)(CCC(O)=O)C(O)=O;CC(CCC(=O)O)(C(=O)O)N","InChI=1S/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1","","1999-07-08","2025-11-05","2-methyl-L-glutamic acid",""],["XRC","2-(3,4-dichlorophenyl)-1-{4-[(4-fluorophenyl)methyl]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one","C22 H18 Cl2 F N3 O","Clc1ccc(cc1Cl)CC(=O)N1CCc2ncnc(Cc3ccc(F)cc3)c2C1;Fc1ccc(Cc2ncnc3CCN(Cc23)C(=O)Cc4ccc(Cl)c(Cl)c4)cc1;c1cc(ccc1Cc2c3c(ncn2)CCN(C3)C(=O)Cc4ccc(c(c4)Cl)Cl)F","InChI=1S/C22H18Cl2FN3O/c23-18-6-3-15(9-19(18)24)11-22(29)28-8-7-20-17(12-28)21(27-13-26-20)10-14-1-4-16(25)5-2-14/h1-6,9,13H,7-8,10-12H2","","2023-06-08","2024-12-13","2-(3,4-dichlorophenyl)-1-{4-[(4-fluorophenyl)methyl]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one","2024-12-18"],["ZZD","S-TRITYL-L-CYSTEINE","C22 H21 N O2 S","O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3;N[CH](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)=O;c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCC(C(=O)O)N","InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1","","2009-07-23","2019-05-07","S-trityl-L-cysteine",""],["ZZE","5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile ","C17 H18 N4 O2","N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2;CCc1nn(CCO)c(CC)c1Oc2cc(cc(c2)C#N)C#N;CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N","InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3","","2009-07-27","2011-06-04","5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile",""],["GAN","2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER","C32 H51 N5 O5","O=C(OC)C(NC(=O)C(NC(=O)C(N1CCC(=CC(C1)Cc2ccccc2)C(NC(=O)C(N)C)C)C)C(C)C)C(C)C;COC(=O)[CH](NC(=O)[CH](NC(=O)[CH](C)N1CCC(=C[CH](C1)Cc2ccccc2)[CH](C)NC(=O)[CH](C)N)C(C)C)C(C)C;CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(C)N1CCC(=CC(C1)Cc2ccccc2)C(C)NC(=O)C(C)N","InChI=1S/C32H51N5O5/c1-19(2)27(31(40)36-28(20(3)4)32(41)42-8)35-30(39)23(7)37-15-14-26(22(6)34-29(38)21(5)33)17-25(18-37)16-24-12-10-9-11-13-24/h9-13,17,19-23,25,27-28H,14-16,18,33H2,1-8H3,(H,34,38)(H,35,39)(H,36,40)/t21-,22-,23-,25+,27-,28-/m0/s1","","1999-07-08","2011-06-04","methyl N-[(2S)-2-{(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl}propanoyl]-L-valyl-L-valinate",""],["XRD","Clobetasol propionate","C25 H32 Cl F O5","C1=CC(C=C3C1(C)C2(C(CC4(C(C2CC3)CC(C4(OC(CC)=O)C(CCl)=O)C)C)O)F)=O;CCC(=O)O[C]1([CH](C)C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)C(=O)CCl;CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl","InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1","(8alpha,11beta,14beta,16alpha,17alpha)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate","2021-01-07","2021-11-08","(8alpha,11beta,14beta,16alpha,17alpha)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate","2021-10-27"],["A1ARU","O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C26 H42 F3 N5 O5","FC(F)(F)C(=O)NC(C(C)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C=N;C[CH](OC(C)(C)C)[CH](NC(=O)C(F)(F)F)C(=O)N[CH](CC1CCCCC1)C(=O)N[CH](C[CH]2CCNC2=O)C=N;CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)C=N)NC(=O)C(F)(F)F)OC(C)(C)C","InChI=1S/C26H42F3N5O5/c1-15(39-25(2,3)4)20(34-24(38)26(27,28)29)23(37)33-19(12-16-8-6-5-7-9-16)22(36)32-18(14-30)13-17-10-11-31-21(17)35/h14-20,30H,5-13H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/b30-14+/t15-,17+,18-,19+,20+/m1/s1","","2024-05-14","2025-05-09","O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2025-05-14"],["ZZF","4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE","C18 H18 N4 O3 S","O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C)C)c3;Cc1ccc(Oc2ccnc(Nc3ccc(cc3)[S](N)(=O)=O)c2)c(C)n1;Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)","","2009-07-28","2011-06-04","4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide",""],["GAO","GUANINE ARABINOSE-5'-PHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6+,9-/m1/s1","","2000-12-18","2011-06-04","2-amino-9-(5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["XRE","5-hydroxyproline","C5 H9 N O3","O[CH]1CC[CH](N1)C(O)=O;C1CC(NC1C(=O)O)O","InChI=1S/C5H9NO3/c7-4-2-1-3(6-4)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1","(2~{S},5~{S})-5-oxidanylpyrrolidine-2-carboxylic acid","2023-11-08","2024-09-27","(2~{S},5~{S})-5-oxidanylpyrrolidine-2-carboxylic acid","2024-09-25"],["A1ARY","(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide","C19 H14 Cl2 N2 O2 S","Clc1cc(cnc1)N(C(=O)C(O)S)c1cc(ccc1)c1cccc(Cl)c1;O[CH](S)C(=O)N(c1cccc(c1)c2cccc(Cl)c2)c3cncc(Cl)c3;c1cc(cc(c1)N(c2cc(cnc2)Cl)C(=O)C(O)S)c3cccc(c3)Cl","InChI=1S/C19H14Cl2N2O2S/c20-14-5-1-3-12(7-14)13-4-2-6-16(8-13)23(18(24)19(25)26)17-9-15(21)10-22-11-17/h1-11,19,25-26H/t19-/m1/s1","","2024-05-14","2025-05-09","(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide","2025-05-14"],["GAP","GLYCYL-ADENOSINE-5'-PHOSPHATE","C12 H17 N6 O8 P","[O-]P(=O)(OC(=O)C[NH3+])OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([O-])(=O)OC(=O)C[NH3+])[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OC(=O)C[NH3+])O)O)N","InChI=1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1","","1999-07-08","2011-06-04","5'-O-{[(ammonioacetyl)oxy]phosphinato}adenosine",""],["XRF","1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","C10 H17 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1","","2021-03-09","2022-02-18","1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","2022-02-23"],["ZZG","4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE","C26 H26 N4 O4","n1ccccc1c4nc(c(cc4Oc3ccnc(Nc2cc(OC)c(OC)c(OC)c2)c3)C)C;COc1cc(Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2)cc(OC)c1OC;Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC","InChI=1S/C26H26N4O4/c1-16-12-21(25(29-17(16)2)20-8-6-7-10-27-20)34-19-9-11-28-24(15-19)30-18-13-22(31-3)26(33-5)23(14-18)32-4/h6-15H,1-5H3,(H,28,30)","","2009-07-28","2011-06-04","4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine",""],["ZZH","(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid","C22 H20 O3","O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3;OC(=O)[CH](Cc1ccccc1)Oc2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)OC(Cc3ccccc3)C(=O)O","InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1","","2009-06-04","2011-06-04","(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid",""],["XRG","1-methyl-3-(N-methylcarbamimidoyl)urea","C4 H10 N4 O","O=C(NC)NC(=[N@H])NC;CNC(=N)NC(=O)NC;[H]N=C(NC)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","","2008-03-11","2011-06-04","1-methyl-3-(N-methylcarbamimidoyl)urea",""],["GAQ","5-HYDROXYPENTANAL","C5 H10 O2","O=CCCCCO;OCCCCC=O;C(CCO)CC=O","InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2","","2005-08-02","2024-09-27","5-hydroxypentanal",""],["A1ARZ","2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile","C28 H31 F3 N6","CN1CCC(Nc2cccc3n(CC(F)(F)F)c(C#CCNc4ccc(nc4)C(C)(C)C#N)cc23)CC1;CN1CCC(CC1)Nc2cccc3n(CC(F)(F)F)c(cc23)C#CCNc4ccc(nc4)C(C)(C)C#N;CC(C)(C#N)c1ccc(cn1)NCC#Cc2cc3c(cccc3n2CC(F)(F)F)NC4CCN(CC4)C","InChI=1S/C28H31F3N6/c1-27(2,18-32)26-10-9-21(17-34-26)33-13-5-6-22-16-23-24(35-20-11-14-36(3)15-12-20)7-4-8-25(23)37(22)19-28(29,30)31/h4,7-10,16-17,20,33,35H,11-15,19H2,1-3H3","","2024-05-14","2024-12-13","2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile","2024-12-18"],["XRH","2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide","C34 H29 Cl2 N7 O4","CN(C)C1=NC(=O)N(c2cccc(NC(=O)COc3cccc(c3)N4C(=O)N=C(N(C)C)c5ccc(Cl)cc45)c2)c6cc(Cl)ccc16;CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccc(c3)NC(=O)COc4cccc(c4)N5c6cc(ccc6C(=NC5=O)N(C)C)Cl","InChI=1S/C34H29Cl2N7O4/c1-40(2)31-26-13-11-20(35)15-28(26)42(33(45)38-31)23-8-5-7-22(17-23)37-30(44)19-47-25-10-6-9-24(18-25)43-29-16-21(36)12-14-27(29)32(41(3)4)39-34(43)46/h5-18H,19H2,1-4H3,(H,37,44)","","2023-12-08","2025-10-06","2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide","2024-02-28"],["A1ASA","(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C27 H31 F4 N5 O3","CC1(C)C2C(C(=O)NC(C=N)c3cncc4cc(F)ccc43)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C=N)c3cncc4cc(F)ccc34)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(C=N)c3cncc4c3ccc(c4)F)C","InChI=1S/C27H31F4N5O3/c1-25(2,3)21(35-24(39)27(29,30)31)23(38)36-12-17-19(26(17,4)5)20(36)22(37)34-18(9-32)16-11-33-10-13-8-14(28)6-7-15(13)16/h6-11,17-21,32H,12H2,1-5H3,(H,34,37)(H,35,39)/b32-9+/t17-,18-,19-,20-,21+/m0/s1","","2024-05-15","2025-05-09","(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2025-05-14"],["GAR","GLYCINAMIDE RIBONUCLEOTIDE","C7 H13 N2 O8 P","O=C(NC1OC(C(O)C1O)COP([O-])([O-])=O)CN;NCC(=O)N[CH]1O[CH](CO[P]([O-])([O-])=O)[CH](O)[CH]1O;C(C1C(C(C(O1)NC(=O)CN)O)O)OP(=O)([O-])[O-]","InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-2/t3-,5-,6-,7-/m1/s1","","1999-07-08","2011-06-04","N-glycyl-5-O-phosphonato-beta-D-ribofuranosylamine",""],["ZZI","(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE","C10 H21 N O4","O=C(N(CCC)CCC)C(O)C(O)CO;CCCN(CCC)C(=O)[CH](O)[CH](O)CO;CCCN(CCC)C(=O)C(C(CO)O)O","InChI=1S/C10H21NO4/c1-3-5-11(6-4-2)10(15)9(14)8(13)7-12/h8-9,12-14H,3-7H2,1-2H3/t8-,9-/m1/s1","","2009-08-03","2011-06-04","(2R,3R)-2,3,4-trihydroxy-N,N-dipropylbutanamide",""],["ZZJ","N^2^-methyl-L-alaninamide","C4 H10 N2 O","O=C(N)C(NC)C;CN[CH](C)C(N)=O;CC(C(=O)N)NC","InChI=1S/C4H10N2O/c1-3(6-2)4(5)7/h3,6H,1-2H3,(H2,5,7)/t3-/m0/s1","","2009-09-02","2024-09-27","N~2~-methyl-L-alaninamide",""],["A1ASB","(1Z)-N-hydroxy-2-methylpropanimidamide","C4 H10 N2 O","CC(C)C(=N)NO;CC(C)C(=N)NO;CC(C)C(=N)NO","InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)","","2024-05-15","2024-05-24","(1Z)-N-hydroxy-2-methylpropanimidamide","2024-05-29"],["GAS","N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID","C23 H20 N4 O2","N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3;OC(=O)CN=C(NC(c1ccccc1)c2ccccc2)Nc3ccc(cc3)C#N;c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N","InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)","","1999-07-08","2011-06-04","(E)-N-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}glycine",""],["XRI","5-tert-butyl-2-methyl-4-({5-[(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyrazol-3-yl}methoxy)benzonitrile","C24 H30 N4 O3","CC(C)(C)c1cc(C#N)c(C)cc1OCc1cc([NH]n1)C(=O)N1CCC2(CCOC2)C1;Cc1cc(OCc2cc([nH]n2)C(=O)N3CC[C]4(CCOC4)C3)c(cc1C#N)C(C)(C)C;Cc1cc(c(cc1C#N)C(C)(C)C)OCc2cc([nH]n2)C(=O)N3CCC4(C3)CCOC4","InChI=1S/C24H30N4O3/c1-16-9-21(19(23(2,3)4)10-17(16)12-25)31-13-18-11-20(27-26-18)22(29)28-7-5-24(14-28)6-8-30-15-24/h9-11H,5-8,13-15H2,1-4H3,(H,26,27)/t24-/m0/s1","","2023-06-08","2024-12-13","5-tert-butyl-2-methyl-4-({5-[(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyrazol-3-yl}methoxy)benzonitrile","2024-12-18"],["GAT","4-aminophenyl alpha-D-galactopyranoside","C12 H17 N O6","O(c1ccc(N)cc1)C2OC(C(O)C(O)C2O)CO;Nc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;c1cc(ccc1N)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1","4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE; P-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE; 4-aminophenyl alpha-D-galactoside;\n4-aminophenyl D-galactoside; 4-aminophenyl galactoside","2000-02-09","2020-07-17","4-aminophenyl alpha-D-galactopyranoside",""],["A1ASE","8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one","C24 H25 N O5","OCCOc1ccc2c(OC(=O)C=C2CCC)c1C(=O)N1CCCc2ccccc21;CCCC1=CC(=O)Oc2c1ccc(OCCO)c2C(=O)N3CCCc4ccccc34;CCCC1=CC(=O)Oc2c1ccc(c2C(=O)N3CCCc4c3cccc4)OCCO","InChI=1S/C24H25NO5/c1-2-6-17-15-21(27)30-23-18(17)10-11-20(29-14-13-26)22(23)24(28)25-12-5-8-16-7-3-4-9-19(16)25/h3-4,7,9-11,15,26H,2,5-6,8,12-14H2,1H3","obex 5c","2024-05-16","2025-06-20","8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one","2025-06-25"],["ZZK","4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE","C19 H15 N3 O3","O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N;NC(=O)c1ccc(cc1)c2cc(cnc2N)c3cccc4OCOc34;c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N","InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)","","2009-09-15","2011-06-04","4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide",""],["XRJ","2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide","C13 H26 N2 O4","CCCCCN1[CH](CO)[CH](O)[CH](O)[CH]1CC(=O)NC;CCCCCN1C(C(C(C1CO)O)O)CC(=O)NC","InChI=1S/C13H26N2O4/c1-3-4-5-6-15-9(7-11(17)14-2)12(18)13(19)10(15)8-16/h9-10,12-13,16,18-19H,3-8H2,1-2H3,(H,14,17)/t9-,10+,12+,13+/m0/s1","","2015-08-05","2015-11-13","2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide","2015-11-18"],["GAU","(4S)-4-AMINO-5-HYDROXYPENTANOIC ACID","C5 H11 N O3","O=C(O)CCC(N)CO;N[CH](CO)CCC(O)=O;C(CC(=O)O)C(CO)N","InChI=1S/C5H11NO3/c6-4(3-7)1-2-5(8)9/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1","L-GLUTAMOL","2005-06-02","2024-09-27","(4S)-4-amino-5-hydroxypentanoic acid",""],["XRK","methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name)","C38 H45 N9 O18 P2","O=C(OC)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O)C123;COC(=O)c1cccc(c1)[CH]2C[CH](O)N3c4cc(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)C8=NC(=O)NC(=O)[C]238;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8)C(=O)OC)O","InChI=1S/C38H45N9O18P2/c1-16-7-21-22(8-17(16)2)47-26(50)10-20(18-5-4-6-19(9-18)34(54)61-3)38(47)35(43-37(56)44-36(38)55)45(21)11-23(48)28(51)24(49)12-62-66(57,58)65-67(59,60)63-13-25-29(52)30(53)33(64-25)46-15-42-27-31(39)40-14-41-32(27)46/h4-9,14-15,20,23-26,28-30,33,48-53H,10-13H2,1-3H3,(H,57,58)(H,59,60)(H2,39,40,41)(H,44,55,56)/t20-,23-,24+,25+,26+,28-,29+,30+,33+,38-/m0/s1","","2023-11-08","2025-01-31","methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name)","2025-02-05"],["ZZL","4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID","C25 H15 Cl F2 N4 O2","Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc23)Nc4ccc(C(=O)O)cc4;OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc1;c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F","InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)","","2009-09-22","2011-06-04","4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid",""],["XRL","4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile","C25 H21 N7 O","N#Cc1ccc(cc1)Nc1nc2c(NC(=O)CCN2c2c(C)cc(C=CC#N)cc2C)cn1;Cc1cc(C=CC#N)cc(C)c1N2CCC(=O)Nc3cnc(Nc4ccc(cc4)C#N)nc23;Cc1cc(cc(c1N2CCC(=O)Nc3c2nc(nc3)Nc4ccc(cc4)C#N)C)C=CC#N","InChI=1S/C25H21N7O/c1-16-12-19(4-3-10-26)13-17(2)23(16)32-11-9-22(33)30-21-15-28-25(31-24(21)32)29-20-7-5-18(14-27)6-8-20/h3-8,12-13,15H,9,11H2,1-2H3,(H,30,33)(H,28,29,31)/b4-3+","","2022-12-06","2023-01-27","4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile","2023-02-01"],["GAV","GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE","C10 H16 N5 O13 P3 S","O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-31(24,32)28-30(22,23)27-29(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,32)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-,31-/m1/s1","","2007-05-15","2012-02-17","5'-O-[(R)-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]guanosine",""],["A1ASQ","N-[2-(2-chloroethyl)phenyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea","C19 H16 Cl F3 N4 O","ClCCc1ccccc1NC(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F;FC(F)(F)c1ccc(n2ccnc2)c(NC(=O)Nc3ccccc3CCCl)c1;c1ccc(c(c1)CCCl)NC(=O)Nc2cc(ccc2n3ccnc3)C(F)(F)F","InChI=1S/C19H16ClF3N4O/c20-8-7-13-3-1-2-4-15(13)25-18(28)26-16-11-14(19(21,22)23)5-6-17(16)27-10-9-24-12-27/h1-6,9-12H,7-8H2,(H2,25,26,28)","","2024-05-20","2025-04-11","N-[2-(2-chloroethyl)phenyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea","2025-04-16"],["ZZM","1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE","C15 H14 N6","n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N;CC(C)n1nc(C#Cc2cccnc2)c3c(N)ncnc13;CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N","InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19)","","2009-11-09","2011-06-04","1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["GAW","2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide","C30 H32 F6 N4 O","CN1CCN(CC1)c2cc(c(cn2)N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc4C;Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C","InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3","","2018-09-11","2019-01-11","2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide","2019-01-16"],["XRM","7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one","C19 H25 F N4 O S","c23c(N=C(CSC1CCNCC1)NC2=O)cc(cc3F)NC4CCCC4;Fc1cc(NC2CCCC2)cc3N=C(CSC4CCNCC4)NC(=O)c13;c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4","InChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25)","","2021-01-07","2021-04-16","7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one","2021-04-21"],["ZZN","2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one","C28 H22 F N7 O2","Fc6cc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)cc(O)c6;Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(c5cc(O)cc(F)c5)c6c(N)ncnc46;Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N","InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)","","2009-11-09","2011-06-04","2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one",""],["A1ASR","N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea","C17 H12 Cl F3 N4 O","Clc1ccccc1NC(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F;FC(F)(F)c1ccc(n2ccnc2)c(NC(=O)Nc3ccccc3Cl)c1;c1ccc(c(c1)NC(=O)Nc2cc(ccc2n3ccnc3)C(F)(F)F)Cl","InChI=1S/C17H12ClF3N4O/c18-12-3-1-2-4-13(12)23-16(26)24-14-9-11(17(19,20)21)5-6-15(14)25-8-7-22-10-25/h1-10H,(H2,23,24,26)","","2024-05-20","2025-04-11","N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea","2025-04-16"],["GAX","1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea","C19 H20 N6 O3 S2","O=C(Nc1cccc(c1)S(=O)(=O)N3CCN(c2ncccc2)CC3)Nc4nccs4;O=C(Nc1sccn1)Nc2cccc(c2)[S](=O)(=O)N3CCN(CC3)c4ccccn4;c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4","InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)","","2007-10-25","2011-06-04","1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea",""],["XRN","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(4-sulfamoylpiperidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C21 H27 F3 N4 O6 S","NS(=O)(=O)C1CCN(CC1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1;N[S](=O)(=O)C1CCN(CC1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)OCc4ccc(OC(F)(F)F)cc4;c1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)N4CCC(CC4)S(=O)(=O)N)OC(F)(F)F","InChI=1S/C21H27F3N4O6S/c22-21(23,24)34-17-3-1-14(2-4-17)13-33-20(30)28-11-15-9-27(10-16(15)12-28)19(29)26-7-5-18(6-8-26)35(25,31)32/h1-4,15-16,18H,5-13H2,(H2,25,31,32)","","2023-06-08","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(4-sulfamoylpiperidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1ASU","5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole","C19 H16 N4 O S","Cc1nc(cs1)c1ccc(cc1)n1nncc1c1ccc(OC)cc1;COc1ccc(cc1)c2cnnn2c3ccc(cc3)c4csc(C)n4;Cc1nc(cs1)c2ccc(cc2)n3c(cnn3)c4ccc(cc4)OC","InChI=1S/C19H16N4OS/c1-13-21-18(12-25-13)14-3-7-16(8-4-14)23-19(11-20-22-23)15-5-9-17(24-2)10-6-15/h3-12H,1-2H3","","2024-05-20","2025-04-11","5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole","2025-04-16"],["ZZO","2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one","C28 H22 F N7 O2","Fc6c(O)ccc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6;Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(c5ccc(O)c(F)c5)c6c(N)ncnc46;Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N","InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)","","2009-11-09","2011-06-04","2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one",""],["A1ASV","N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide","C15 H16 F3 N3 O","CC(C)(C)C(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F;CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F;CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F","InChI=1S/C15H16F3N3O/c1-14(2,3)13(22)20-11-8-10(15(16,17)18)4-5-12(11)21-7-6-19-9-21/h4-9H,1-3H3,(H,20,22)","","2024-05-20","2025-04-11","N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide","2025-04-16"],["XRO","5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C15 H13 N3 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)CC#N;OC(=O)C1=C(CCc2ccc(CC#N)cc2)C(=O)NC(=O)N1;c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N","InChI=1S/C15H13N3O4/c16-8-7-10-3-1-9(2-4-10)5-6-11-12(14(20)21)17-15(22)18-13(11)19/h1-4H,5-7H2,(H,20,21)(H2,17,18,19,22)","","2012-11-27","2013-11-22","5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-27"],["ZZP","N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE","C22 H19 F N4 O4 S","Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3N=C2/C=C(OC)C=C(OC)C2;COC1=CC(=CC(C1)=Nc2nc3ccccc3nc2N[S](=O)(=O)c4ccc(F)cc4)OC;COC1=CC(=CC(=Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)C1)OC","InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+","","2009-11-09","2011-06-04","N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide",""],["GAY","3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide","C22 H19 F N4 O3","COc1ccn2c(cc(C(=O)Nc3cccc(c3F)c4cnn(C)c4)c2c1)C(C)=O;CC(=O)c1cc(c2n1ccc(c2)OC)C(=O)Nc3cccc(c3F)c4cnn(c4)C","InChI=1S/C22H19FN4O3/c1-13(28)19-10-17(20-9-15(30-3)7-8-27(19)20)22(29)25-18-6-4-5-16(21(18)23)14-11-24-26(2)12-14/h4-12H,1-3H3,(H,25,29)","","2022-05-06","2022-06-17","3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide","2022-06-22"],["GAZ","L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine","C20 H27 N3 O9 S","NC(C(O)=O)CCC(=O)NC(C(=O)NCC(O)=O)CS=CC(c1cc(OC)c(OC)cc1)=O;COc1ccc(cc1OC)C(=O)C=[SH]C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;COc1ccc(cc1OC)C(=O)C=SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C20H27N3O9S/c1-31-15-5-3-11(7-16(15)32-2)14(24)10-33-9-13(19(28)22-8-18(26)27)23-17(25)6-4-12(21)20(29)30/h3,5,7,10,12-13,33H,4,6,8-9,21H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/t12-,13-/m0/s1","","2015-02-27","2016-03-18","L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine","2016-03-09"],["ZZQ","2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE","C25 H23 N5 O3 S","O=C3C5=C(N=C(SCC(=O)Nc2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5;COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5nccnc5c4;COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5","InChI=1S/C25H23N5O3S/c1-33-22-9-5-4-8-21(22)30-24(32)17-6-2-3-7-18(17)29-25(30)34-15-23(31)28-16-10-11-19-20(14-16)27-13-12-26-19/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,28,31)","","2009-11-09","2011-06-04","2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-quinoxalin-6-ylacetamide",""],["XRP","3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,4-triazole","C16 H15 N3 S","c1cccc(c1)n2cnc(n2)SCc3ccc(cc3)C;Cc1ccc(CSc2ncn(n2)c3ccccc3)cc1;Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3","InChI=1S/C16H15N3S/c1-13-7-9-14(10-8-13)11-20-16-17-12-19(18-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3","","2021-01-07","2022-01-14","3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,4-triazole","2022-01-19"],["XRQ","N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide","C22 H16 N4 O3","[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1;[O-][N+](=O)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4;c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4ccc(cc4)[N+](=O)[O-]","InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)","N-(1,3-Diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide; ~{N}-(2,5-diphenylpyrazol-3-yl)-4-nitro-benzamide; VU29","2023-11-09","2026-04-06","N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide","2024-11-06"],["ZZR","3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium","C3 H6 N7","n1c(N)n[n+]2c(nnc12)N;Nc1[nH][n+]2c(N)n[nH]c2n1;c1([nH][n+]2c(n[nH]c2n1)N)N","InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1","","2009-11-10","2011-06-04","3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium",""],["GB","METHYLPHOSPHONIC ACID ESTER GROUP","C H5 O3 P","O=P(O)(O)C;C[P](O)(O)=O;CP(=O)(O)O","InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)","","1999-07-08","2024-09-27","methylphosphonic acid",""],["XRR","N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid","C19 H20 N4 O6 S2","O=C(O)C(CCC(=O)O)NC(=O)c1cc(cs1)CCCc1cc2C(=O)NC(N)=Nc2s1;NC1=Nc2sc(CCCc3csc(c3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c(csc1C(=O)NC(CCC(=O)O)C(=O)O)CCCc2cc3c(s2)N=C(NC3=O)N","InChI=1S/C19H20N4O6S2/c20-19-22-15(26)11-7-10(31-17(11)23-19)3-1-2-9-6-13(30-8-9)16(27)21-12(18(28)29)4-5-14(24)25/h6-8,12H,1-5H2,(H,21,27)(H,24,25)(H,28,29)(H3,20,22,23,26)/t12-/m0/s1","","2022-12-06","2023-05-05","N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid","2023-05-10"],["ZZS","1,3,5-TRIAZINE-2,4-DIAMINE","C3 H5 N5","n1c(nc(nc1)N)N;Nc1ncnc(N)n1;c1nc(nc(n1)N)N","InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)","","2009-11-12","2011-06-04","1,3,5-triazine-2,4-diamine",""],["A1ATA","(3S)-1-[4-(5-carbamimidamidopentanoyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide","C23 H31 Cl F N7 O3","O=C(N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)C1CCCN1C(=N)N;NC(=N)N1CCC[CH]1C(=O)N2CCN(CC2)C(=O)N3CCC[CH](C3)C(=O)Nc4ccc(Cl)c(F)c4;c1cc(c(cc1NC(=O)C2CCCN(C2)C(=O)N3CCN(CC3)C(=O)C4CCCN4C(=N)N)F)Cl","InChI=1S/C23H31ClFN7O3/c24-17-6-5-16(13-18(17)25)28-20(33)15-3-1-7-31(14-15)23(35)30-11-9-29(10-12-30)21(34)19-4-2-8-32(19)22(26)27/h5-6,13,15,19H,1-4,7-12,14H2,(H3,26,27)(H,28,33)/t15-,19-/m0/s1","","2024-05-28","2025-03-28","(3S)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide","2025-04-02"],["GB0","Bacteriochlorophyll g'","C50 H58 Mg N4 O5","C(C=C(/C)CCC=C(CCC=C(/C)C)C)OC(CCC=4C5=C2C1=N7C(C(=C1C(C2C(=O)OC)=O)C)=Cc9c(c(c8C=C3N6=C(C(=C3CC)C)C=C(C=4C)N5[Mg]67n89)C)CC)=O;CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=C2)C(=C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C5=C6[CH](C(=O)OC)C(=O)C7=C(C)C(=Cc4c(CC)c3C)N=C67)C;CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC)C)C","InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37;/h16,18,22,24-26,46H,12-15,17,19-21,23H2,1-11H3,(H-,51,52,53,54,56);/q-1;+2/p-1/b28-18+,29-22+,37-24-,38-25-,39-24-,40-26-,41-25-,42-26-,47-45-;/t46-;/m0./s1","","2017-08-11","2020-05-27","[methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium","2017-09-06"],["A1ATB","(propan-2-yl)benzene","C9 H12","CC(C)c1ccccc1;CC(C)c1ccccc1;CC(C)c1ccccc1","InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3","","2024-05-28","2025-11-21","(propan-2-yl)benzene","2025-11-26"],["ZZT","2-METHOXY-5-METHYLANILINE","C8 H11 N O","O(c1ccc(cc1N)C)C;COc1ccc(C)cc1N;Cc1ccc(c(c1)N)OC","InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3","","2009-11-20","2011-06-04","2-methoxy-5-methylaniline",""],["XRS","(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine","C10 H19 N3 O","O(c1nccn1C)CCC(N(C)C)C;C[CH](CCOc1nccn1C)N(C)C;CC(CCOc1nccn1C)N(C)C","InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1","","2012-11-26","2014-09-05","(2R)-N,N-dimethyl-4-[(1-methyl-1H-imidazol-2-yl)oxy]butan-2-amine","2013-02-15"],["GB1","(2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL","C13 H20 N2 O3","OC1C(NCC1O)CNC(c2ccccc2)CO;OC[CH](NC[CH]1NC[CH](O)[CH]1O)c2ccccc2;c1ccc(cc1)C(CO)NCC2C(C(CN2)O)O","InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1","","2005-12-01","2011-06-04","(2R,3R,4S)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol",""],["GB2","(2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL","C13 H20 N2 O3","OC1C(NCC1O)CNC(c2ccccc2)CO;OC[CH](NC[CH]1NC[CH](O)[CH]1O)c2ccccc2;c1ccc(cc1)C(CO)NCC2C(C(CN2)O)O","InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11-,12+,13-/m1/s1","","2005-12-05","2011-06-04","(2R,3R,4S)-2-({[(1S)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol",""],["A1ATE","(3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide","C24 H33 Cl F N7 O4","O=C(N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)C1CCCN1C(=N)N;NC(=N)N1CCC[CH]1C(=O)N2CCN(CC2)C(=O)N3C[CH](CO)C[CH](C3)C(=O)Nc4ccc(Cl)c(F)c4;c1cc(c(cc1NC(=O)C2CC(CN(C2)C(=O)N3CCN(CC3)C(=O)C4CCCN4C(=N)N)CO)F)Cl","InChI=1S/C24H33ClFN7O4/c25-18-4-3-17(11-19(18)26)29-21(35)16-10-15(14-34)12-32(13-16)24(37)31-8-6-30(7-9-31)22(36)20-2-1-5-33(20)23(27)28/h3-4,11,15-16,20,34H,1-2,5-10,12-14H2,(H3,27,28)(H,29,35)/t15-,16+,20+/m1/s1","","2024-05-28","2025-03-28","(3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide","2025-04-02"],["ZZU","(2S,3S)-3-HYDROXYARGININE","C6 H14 N4 O3","O=C(O)C(N)C(O)CCNC(=[N@H])N;N[CH]([CH](O)CCNC(N)=N)C(O)=O;C(CNC(=N)N)C(C(C(=O)O)N)O","InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1","","2009-03-02","2024-09-27","(2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name)",""],["XRT","3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide","C20 H22 Br N3 O","Brc1ccc(cc1)CNCc1cn(CCC(=O)NC)c2ccccc21;CNC(=O)CCn1cc(CNCc2ccc(Br)cc2)c3ccccc13;CNC(=O)CCn1cc(c2c1cccc2)CNCc3ccc(cc3)Br","InChI=1S/C20H22BrN3O/c1-22-20(25)10-11-24-14-16(18-4-2-3-5-19(18)24)13-23-12-15-6-8-17(21)9-7-15/h2-9,14,23H,10-13H2,1H3,(H,22,25)","","2023-06-08","2024-12-13","3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide","2024-12-18"],["ZZV","N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide","C20 H18 F N3 O4 S","O=S(=O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F)cc4)C)C;CN(c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c4ncccc14)[S](C)(=O)=O;CN(c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C","InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3","","2010-10-04","2011-06-04","N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide",""],["A1ATF","2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide","C23 H21 F N4 O3 S","NC(=O)Cc1ccc(Nc2nnc(c3sccc32)c2ccccc2OCCOC)c(F)c1;COCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F)c4ccsc24;COCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N","InChI=1S/C23H21FN4O3S/c1-30-9-10-31-19-5-3-2-4-15(19)21-22-16(8-11-32-22)23(28-27-21)26-18-7-6-14(12-17(18)24)13-20(25)29/h2-8,11-12H,9-10,13H2,1H3,(H2,25,29)(H,26,28)","","2024-05-29","2025-01-17","2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide","2025-01-22"],["XRU","(3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide","C22 H36 Cl N5 O2","O=C(Nc1cc(C(=O)NCCN(CC)CC)c(Cl)cc1)N1CCC(C1)N(CC)CC;CCN(CC)CCNC(=O)c1cc(NC(=O)N2CC[CH](C2)N(CC)CC)ccc1Cl;CCN(CC)CCNC(=O)c1cc(ccc1Cl)NC(=O)N2CCC(C2)N(CC)CC","InChI=1S/C22H36ClN5O2/c1-5-26(6-2)14-12-24-21(29)19-15-17(9-10-20(19)23)25-22(30)28-13-11-18(16-28)27(7-3)8-4/h9-10,15,18H,5-8,11-14,16H2,1-4H3,(H,24,29)(H,25,30)/t18-/m0/s1","","2023-11-09","2023-11-17","(3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide","2023-11-22"],["GB3","(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL","C14 H22 N2 O3","OC2C(NC(CNC(c1ccccc1)CO)C2O)C;C[CH]1N[CH](CN[CH](CO)c2ccccc2)[CH](O)[CH]1O;CC1C(C(C(N1)CNC(CO)c2ccccc2)O)O","InChI=1S/C14H22N2O3/c1-9-13(18)14(19)11(16-9)7-15-12(8-17)10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/t9-,11-,12+,13+,14-/m1/s1","","2005-12-05","2011-06-04","(2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol",""],["GB4","(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE","C9 H7 Cl2 N O2","Clc1cc(Cl)ccc1/C=C/C(=O)NO;ONC(=O)C=Cc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)C=CC(=O)NO","InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+","2,4-DICHLOROCINNAMYLHYDROXAMATE","2006-10-05","2021-03-13","(2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide",""],["XRV","7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C15 H12 F N7","c1(ccc(cc1)n2cc(cn2)Cc3cc(nc4c3nnn4)N)F;Nc1cc(Cc2cnn(c2)c3ccc(F)cc3)c4[nH]nnc4n1;c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F","InChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22)","","2021-01-08","2021-04-16","7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2021-04-21"],["ZZW","9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide","C19 H14 F N3 O2","Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4;ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4ccccc24;c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO","InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)","","2010-10-04","2011-06-04","9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide",""],["ZZX","(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide","C21 H21 Cl F N5 O4","Fc1ccc(cc1Cl)CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O)C(=O)NC;CCN1C[CH](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)c(Cl)c4)N=C(C(=O)NC)c23)C1=O;CCN1CC(n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C","InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1","","2010-10-04","2011-06-04","(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide",""],["XRW","N~6~-[(2S)-2-hydroxypropanoyl]-L-lysine","C9 H18 N2 O4","O=C(NCCCCC(N)C(=O)O)C(C)O;C[CH](O)C(=O)NCCCC[CH](N)C(O)=O;CC(C(=O)NCCCCC(C(=O)O)N)O","InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1","","2022-12-06","2025-04-18","N~6~-[(2S)-2-hydroxypropanoyl]-L-lysine","2025-04-23"],["GB5","(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE","C9 H8 Cl N O2","Clc1ccc(/C=C/C(=O)NO)cc1;ONC(=O)C=Cc1ccc(Cl)cc1;c1cc(ccc1C=CC(=O)NO)Cl","InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+","4-CHLOROCINNAMYLHYDROXAMATE","2006-10-05","2020-06-17","(2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide",""],["GB6","(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one","C13 H18 N2 O4","O=C2NC(CNC(c1ccccc1)CO)C(O)C2O;OC[CH](NC[CH]1NC(=O)[CH](O)[CH]1O)c2ccccc2;c1ccc(cc1)C(CO)NCC2C(C(C(=O)N2)O)O","InChI=1S/C13H18N2O4/c16-7-10(8-4-2-1-3-5-8)14-6-9-11(17)12(18)13(19)15-9/h1-5,9-12,14,16-18H,6-7H2,(H,15,19)/t9-,10+,11-,12-/m1/s1","","2008-06-11","2011-06-04","(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one",""],["ZZY","1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE","C14 H10 N4 O5 S","[O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N;NC(=O)c1cnc2ccn(c2c1)[S](=O)(=O)c3ccccc3[N+]([O-])=O;c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N","InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)","","2009-03-19","2011-06-04","1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide",""],["XRX","3-(dimethylamino)butyl dimethylcarbamate","C9 H20 N2 O2","O=C(OCCC(N(C)C)C)N(C)C;C[CH](CCOC(=O)N(C)C)N(C)C;CC(CCOC(=O)N(C)C)N(C)C","InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1","","2012-11-26","2014-09-05","(3R)-3-(dimethylamino)butyl dimethylcarbamate","2013-02-15"],["A1ATU","Torasemide","C16 H20 N4 O3 S","O=S(=O)(NC(=O)NC(C)C)c1cnccc1Nc1cc(C)ccc1;CC(C)NC(=O)N[S](=O)(=O)c1cnccc1Nc2cccc(C)c2;Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C","InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)","","2024-05-31","2025-11-11","4-(3-methylanilino)-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide","2025-02-12"],["A1ATV","N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide","C15 H16 F N O5 S","OS(F)(O)Oc1ccc(cc1)OCc1ccc(NC(C)=O)cc1;CC(=O)Nc1ccc(COc2ccc(O[S](O)(O)F)cc2)cc1;CC(=O)Nc1ccc(cc1)COc2ccc(cc2)OS(O)(O)F","InChI=1S/C15H16FNO5S/c1-11(18)17-13-4-2-12(3-5-13)10-21-14-6-8-15(9-7-14)22-23(16,19)20/h2-9,19-20H,10H2,1H3,(H,17,18)","","2024-05-31","2025-05-02","N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide","2025-05-07"],["GB7","(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one","C14 H20 N2 O4","O=C2N(C)C(CNC(c1ccccc1)CO)C(O)C2O;CN1[CH](CN[CH](CO)c2ccccc2)[CH](O)[CH](O)C1=O;CN1C(C(C(C1=O)O)O)CNC(CO)c2ccccc2","InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1","","2008-06-11","2011-06-04","(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one",""],["XRZ","N-[(3-chloro-4-cyanophenyl)methyl]-2-{6-[1-(methoxyacetyl)piperidin-4-yl]-4-oxoquinazolin-3(4H)-yl}-N-methylacetamide","C27 H28 Cl N5 O4","O=C(COC)N1CCC(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1;COCC(=O)N1CCC(CC1)c2ccc3N=CN(CC(=O)N(C)Cc4ccc(C#N)c(Cl)c4)C(=O)c3c2;CN(Cc1ccc(c(c1)Cl)C#N)C(=O)CN2C=Nc3ccc(cc3C2=O)C4CCN(CC4)C(=O)COC","InChI=1S/C27H28ClN5O4/c1-31(14-18-3-4-21(13-29)23(28)11-18)25(34)15-33-17-30-24-6-5-20(12-22(24)27(33)36)19-7-9-32(10-8-19)26(35)16-37-2/h3-6,11-12,17,19H,7-10,14-16H2,1-2H3","","2023-06-08","2024-12-13","N-[(3-chloro-4-cyanophenyl)methyl]-2-{6-[1-(methoxyacetyl)piperidin-4-yl]-4-oxoquinazolin-3(4H)-yl}-N-methylacetamide","2024-12-18"],["ZZZ","6-FORMYLTETRAHYDROPTERIN","C7 H9 N5 O2","O=CC1NC=2C(=O)NC(=NC=2NC1)N;NC1=NC2=C(N[CH](CN2)C=O)C(=O)N1;C1C(NC2=C(N1)N=C(NC2=O)N)C=O","InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3,10H,1H2,(H4,8,9,11,12,14)/t3-/m1/s1","(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE","2006-02-21","2020-06-17","(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carbaldehyde",""],["A1ATW","N-(1-{3,5-difluoro-4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}-1H-1,2,4-triazol-3-yl)methanesulfonamide","C16 H15 F3 N4 O6 S2","FS(O)(O)Oc1ccc(cc1)OCc1c(F)cc(cc1F)n1cnc(n1)NS(C)(=O)=O;C[S](=O)(=O)Nc1ncn(n1)c2cc(F)c(COc3ccc(O[S](O)(O)F)cc3)c(F)c2;CS(=O)(=O)Nc1ncn(n1)c2cc(c(c(c2)F)COc3ccc(cc3)OS(O)(O)F)F","InChI=1S/C16H15F3N4O6S2/c1-30(24,25)22-16-20-9-23(21-16)10-6-14(17)13(15(18)7-10)8-28-11-2-4-12(5-3-11)29-31(19,26)27/h2-7,9,26-27H,8H2,1H3,(H,21,22)","","2024-05-31","2025-05-02","N-(1-{3,5-difluoro-4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}-1H-1,2,4-triazol-3-yl)methanesulfonamide","2025-05-07"],["GB8","(2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol","C20 H21 N7 O4","Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(NCc4ccc5ncccc5c4)nc12;c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3C5C(C(C(O5)CO)O)O)N","InChI=1S/C20H21N7O4/c21-17-14-18(25-9-24-17)27(19-16(30)15(29)13(8-28)31-19)20(26-14)23-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-6,9,13,15-16,19,28-30H,7-8H2,(H,23,26)(H2,21,24,25)/t13-,15-,16-,19-/m1/s1","","2015-09-24","2016-05-06","(2R,3R,4S,5R)-2-[6-azanyl-8-(quinolin-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","2016-05-11"],["XS0","namodenoson","C18 H18 Cl I N6 O4","CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23;CNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O","InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1","(2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide; CF102; Cl-IB-MECA","2023-11-09","2024-04-19","(2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide","2024-04-24"],["GB9","N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide","C12 H8 Cl F N2 O","Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2;c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F","InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)","ztz240","2020-08-17","2020-11-05","~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide","2020-09-16"],["A1ATZ","(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid","C28 H21 Cl N2 O5","Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1;OC(=O)[CH](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5;c1ccc(cc1)c2ccc(c(c2)COc3ccccc3C(C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl","InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m0/s1","","2024-05-31","2025-03-28","(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid","2025-04-02"],["XS1","7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C30 H32 N8 O","c67C(c1cc(nc2c1nnn2)N)CCNC3CC(C(C3)Cc4ccccc4)Oc5cccc(c5)Cn(c6)nc7;Nc1cc([CH]2CCN[CH]3C[CH](Cc4ccccc4)[CH](C3)Oc5cccc(Cn6cc2cn6)c5)c7nn[nH]c7n1;c1ccc(cc1)CC2CC3CC2Oc4cccc(c4)Cn5cc(cn5)C(CCN3)c6cc(nc7c6nn[nH]7)N","InChI=1S/C30H32N8O/c31-28-15-26(29-30(34-28)36-37-35-29)25-9-10-32-23-13-21(11-19-5-2-1-3-6-19)27(14-23)39-24-8-4-7-20(12-24)17-38-18-22(25)16-33-38/h1-8,12,15-16,18,21,23,25,27,32H,9-11,13-14,17H2,(H3,31,34,35,36,37)/t21-,23-,25-,27+/m0/s1","","2021-01-08","2021-04-16","7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2021-04-21"],["A1AUA","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate","C32 H47 N8 O18 P3","O=C(CCCC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)c1ccccc1;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CCCC(=O)c4ccccc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)CCCC(=O)c4ccccc4)O","InChI=1S/C32H47N8O18P3/c1-32(2,27(45)30(46)36-12-11-23(43)35-14-13-34-22(42)10-6-9-20(41)19-7-4-3-5-8-19)16-55-61(52,53)58-60(50,51)54-15-21-26(57-59(47,48)49)25(44)31(56-21)40-18-39-24-28(33)37-17-38-29(24)40/h3-5,7-8,17-18,21,25-27,31,44-45H,6,9-16H2,1-2H3,(H,34,42)(H,35,43)(H,36,46)(H,50,51)(H,52,53)(H2,33,37,38)(H2,47,48,49)/t21-,25-,26-,27+,31-/m1/s1","","2024-06-03","2025-05-09","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate (non-preferred name)","2025-05-14"],["XS2","METHYL4,4II,4III,4IV-TETRATHIO-BETA-D-XYLOPENTOSIDE","C26 H44 O17 S4","S(C2COC(SC1C(O)C(O)C(OC)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O;CO[CH]1OC[CH](S[CH]2OC[CH](S[CH]3OC[CH](SC4OCC(SC5OCC(O)C(O)C5O)C(O)C4O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O;COC1C(C(C(CO1)SC2C(C(C(CO2)SC3C(C(C(CO3)SC4C(C(C(CO4)SC5C(C(C(CO5)O)O)O)O)O)O)O)O)O)O)O","InChI=1S/C26H44O17S4/c1-38-22-17(33)13(29)8(3-39-22)44-24-19(35)15(31)10(5-41-24)46-26-21(37)16(32)11(6-43-26)47-25-20(36)14(30)9(4-42-25)45-23-18(34)12(28)7(27)2-40-23/h7-37H,2-6H2,1H3/t7?,8-,9?,10-,11-,12?,13+,14?,15+,16+,17-,18?,19-,20?,21-,22+,23?,24+,25?,26+/m1/s1","","2004-10-14","2020-07-17","methyl pentopyranosyl-(1->4)-4-thiopentopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-alpha-D-xylopyranoside",""],["GBA","8-bromoadenosine","C10 H12 Br N5 O4","c12n(c(Br)nc1c(ncn2)N)C3C(O)C(O)C(CO)O3;Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1","","2018-05-18","2019-05-10","8-bromoadenosine","2019-05-15"],["XS4","1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea","C35 H42 N10 O3","COc1cc(OC)cc(c1)c2cc3cnc(NCc4cn(nn4)C5CCN(CC5)Cc6ccccc6)nc3nc2NC(=O)NC(C)(C)C;CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC","InChI=1S/C35H42N10O3/c1-35(2,3)41-34(46)40-32-30(24-15-28(47-4)18-29(16-24)48-5)17-25-19-36-33(39-31(25)38-32)37-20-26-22-45(43-42-26)27-11-13-44(14-12-27)21-23-9-7-6-8-10-23/h6-10,15-19,22,27H,11-14,20-21H2,1-5H3,(H3,36,37,38,39,40,41,46)","","2018-12-15","2019-05-17","1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea","2019-05-22"],["A1AUB","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate","C33 H46 N9 O18 P3 S","O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CSCc1cc(on1)c1ccccc1)n1cnc2c(N)ncnc21;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CSCc4cc(on4)c5ccccc5;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)CSCc4cc(on4)c5ccccc5)O","InChI=1S/C33H46N9O18P3S/c1-33(2,28(46)31(47)37-9-8-23(43)35-10-11-36-24(44)15-64-14-20-12-21(58-41-20)19-6-4-3-5-7-19)16-56-63(53,54)60-62(51,52)55-13-22-27(59-61(48,49)50)26(45)32(57-22)42-18-40-25-29(34)38-17-39-30(25)42/h3-7,12,17-18,22,26-28,32,45-46H,8-11,13-16H2,1-2H3,(H,35,43)(H,36,44)(H,37,47)(H,51,52)(H,53,54)(H2,34,38,39)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1","","2024-06-03","2025-05-09","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate (non-preferred name)","2025-05-14"],["GBC","GABACULINE","C7 H11 N O2","O=C(O)C1=CC(N)CCC1;N[CH]1CCCC(=C1)C(O)=O;C1CC(C=C(C1)C(=O)O)N","InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3,8H2,(H,9,10)/t6-/m1/s1","","1999-07-08","2011-06-04","(3R)-3-aminocyclohex-1-ene-1-carboxylic acid",""],["XS5","(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile","C20 H16 Cl F N4 O3","Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCC1=NNC(=O)N1C;CN1C(=O)NN=C1COc2cc(Cl)c(cc2c3cc(OC4CC4)ccc3F)C#N;CN1C(=NNC1=O)COc2cc(c(cc2c3cc(ccc3F)OC4CC4)C#N)Cl","InChI=1S/C20H16ClFN4O3/c1-26-19(24-25-20(26)27)10-28-18-8-16(21)11(9-23)6-15(18)14-7-13(4-5-17(14)22)29-12-2-3-12/h4-8,12H,2-3,10H2,1H3,(H,25,27)","","2023-06-08","2024-12-13","(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile","2024-12-18"],["GBD","4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID","C3 H2 N2 O3 S","O=C(O)c1nsnc1O;OC(=O)c1nsnc1O;c1(c(nsn1)O)C(=O)O","InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)","","2004-04-23","2011-06-04","4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid",""],["A1AUE","2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide","C14 H16 Cl N5 O5 S","Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1;COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1;Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2OCCCl","InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)","","2024-06-05","2024-10-18","2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide","2024-10-23"],["XS6","6-[(3-aminopropyl)amino]-N-hydroxyhexanamide","C9 H21 N3 O2","C(CCNCCCCCC(NO)=O)N;NCCCNCCCCCC(=O)NO;C(CCC(=O)NO)CCNCCCN","InChI=1S/C9H21N3O2/c10-6-4-8-11-7-3-1-2-5-9(13)12-14/h11,14H,1-8,10H2,(H,12,13)","","2015-05-19","2015-07-24","6-[(3-aminopropyl)amino]-N-hydroxyhexanamide","2015-07-29"],["A1AUF","N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide","C23 H25 Cl N4 O3","OCc1cc2cc(ccc2nc1)NC(C)C(=O)Nc1cc(c(Cl)cc1)N1CCOCC1;C[CH](Nc1ccc2ncc(CO)cc2c1)C(=O)Nc3ccc(Cl)c(c3)N4CCOCC4;CC(C(=O)Nc1ccc(c(c1)N2CCOCC2)Cl)Nc3ccc4c(c3)cc(cn4)CO","InChI=1S/C23H25ClN4O3/c1-15(26-18-3-5-21-17(11-18)10-16(14-29)13-25-21)23(30)27-19-2-4-20(24)22(12-19)28-6-8-31-9-7-28/h2-5,10-13,15,26,29H,6-9,14H2,1H3,(H,27,30)/t15-/m0/s1","","2024-06-05","2024-09-13","N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide","2024-09-18"],["GBE","3-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid","C15 H30 N2 O9 S","O=S(=O)(O)CCCN2CCN(CCOC1OC(C(O)C(O)C1O)CO)CC2;OC[CH]1O[CH](OCCN2CCN(CCC[S](O)(=O)=O)CC2)[CH](O)[CH](O)[CH]1O;C1CN(CCN1CCCS(=O)(=O)O)CCOC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C15H30N2O9S/c18-10-11-12(19)13(20)14(21)15(26-11)25-8-7-17-5-3-16(4-6-17)2-1-9-27(22,23)24/h11-15,18-21H,1-10H2,(H,22,23,24)/t11-,12-,13+,14-,15-/m1/s1","","2011-10-20","2012-06-29","3-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid",""],["GBF","Bacteriochlorophyll g","C50 H58 Mg N4 O5","[Mg]321N4C5=C9C8=N1C(=Cc7n2c(C=C6N3=C(C=C4C(=C5CCC(=O)OCC=C(C)CCC=C(/C)CCC=C(/C)C)C)C(=C6CC)C)c(c7CC)C)C(=C8C(=O)C9C(=O)OC)C;CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=C2)C(=C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C5=C6[CH](C(=O)OC)C(=O)C7=C(C)C(=Cc4c(CC)c3C)N=C67)C;CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC)C)C","InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37;/h16,18,22,24-26,46H,12-15,17,19-21,23H2,1-11H3,(H-,51,52,53,54,56);/q-1;+2/p-1/b28-18+,29-22-,37-24-,38-25-,39-24-,40-26-,41-25-,42-26-,47-45-;/t46-;/m1./s1","","2017-08-11","2017-09-01","[methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium","2017-09-06"],["XS8","(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine","C9 H10 F N O","N[CH]1CCOc2ccc(F)cc12;c1cc2c(cc1F)C(CCO2)N","InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1","","2023-11-09","2024-03-01","(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine","2024-03-06"],["A1AUH","2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide","C15 H17 F N4 O5 S","O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCF;COc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCF)n1;Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2OCCF)OC","InChI=1S/C15H17FN4O5S/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21)","","2024-06-05","2024-10-18","2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide","2024-10-23"],["GBG","N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine","C8 H16 Cl N3 O2","C(CC(N)C(O)=O)CCN/C(CCl)=N;N[CH](CCCCNC(=N)CCl)C(O)=O;C(CCNC(=N)CCl)CC(C(=O)O)N","InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1","","2018-05-18","2024-09-27","N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine","2018-07-25"],["XS9","(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate","C40 H64 O8","CCCCCCCCCC(=O)OC12C(C3C=C(CO)CC4(O)C(=O)C(C)=CC4C3(O)C(C)C1OC(=O)CCCCCCCCC)C2(C)C;CCCCCCCCCC(=O)O[CH]1[CH](C)[C]2(O)[CH](C=C(CO)C[C]3(O)[CH]2C=C(C)C3=O)[CH]4C(C)(C)[C]14OC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCCCCCC)O)C","InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1","","2022-12-06","2023-06-30","(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate","2023-07-05"],["GBH","2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid","C14 H28 N2 O9 S","O=S(=O)(O)CCN2CCN(CCOC1OC(C(O)C(O)C1O)CO)CC2;OC[CH]1O[CH](OCCN2CCN(CC2)CC[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C1CN(CCN1CCOC2C(C(C(C(O2)CO)O)O)O)CCS(=O)(=O)O","InChI=1S/C14H28N2O9S/c17-9-10-11(18)12(19)13(20)14(25-10)24-7-5-15-1-3-16(4-2-15)6-8-26(21,22)23/h10-14,17-20H,1-9H2,(H,21,22,23)/t10-,11-,12+,13-,14-/m1/s1","2-{4-[2-(beta-D-glucosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid;\n2-{4-[2-(D-glucosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid;\n2-{4-[2-(glucosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid","2011-10-20","2020-07-17","2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid",""],["A1AUU","(4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one","C19 H22 F N3 O2","O=C(C1CC(=O)NCC1)N1CCC(CC1)c1c[NH]c2ccc(F)cc12;Fc1ccc2[nH]cc(C3CCN(CC3)C(=O)[CH]4CCNC(=O)C4)c2c1;c1cc2c(cc1F)c(c[nH]2)C3CCN(CC3)C(=O)C4CCNC(=O)C4","InChI=1S/C19H22FN3O2/c20-14-1-2-17-15(10-14)16(11-22-17)12-4-7-23(8-5-12)19(25)13-3-6-21-18(24)9-13/h1-2,10-13,22H,3-9H2,(H,21,24)/t13-/m1/s1","","2024-06-10","2024-06-28","(4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one","2024-07-03"],["XSA","(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid","C6 H15 B N2 O4","C(C(O)=O)(NCCN)CCB(O)O;NCCN[CH](CCB(O)O)C(O)=O;B(CCC(C(=O)O)NCCN)(O)O","InChI=1S/C6H15BN2O4/c8-3-4-9-5(6(10)11)1-2-7(12)13/h5,9,12-13H,1-4,8H2,(H,10,11)/t5-/m1/s1","","2021-01-08","2024-09-27","(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid","2022-02-09"],["XSB","3-fluoro-4-[(3aR,6aS)-5-[(2E)-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}prop-2-enoyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]benzene-1-sulfonamide","C26 H25 F4 N7 O4 S","NS(=O)(=O)c1ccc(c(F)c1)C(=O)N1CC2CN(CC2C1)C(=O)/C=C/c1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2C=CC(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc(cc5F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2C=CC(=O)N3CC4CN(CC4C3)C(=O)c5ccc(cc5F)S(=O)(=O)N)C(F)(F)F","InChI=1S/C26H25F4N7O4S/c1-15-32-34-37(33-15)14-17-8-20(26(28,29)30)4-2-16(17)3-7-24(38)35-10-18-12-36(13-19(18)11-35)25(39)22-6-5-21(9-23(22)27)42(31,40)41/h2-9,18-19H,10-14H2,1H3,(H2,31,40,41)","","2023-06-08","2024-12-13","3-fluoro-4-[(3aR,6aS)-5-[(2E)-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}prop-2-enoyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]benzene-1-sulfonamide","2024-12-18"],["GBI","S-(3-IODOBENZYL)GLUTATHIONE","C17 H22 I N3 O6 S","Ic1cc(ccc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSCc1cccc(I)c1)C(=O)NCC(O)=O)C(O)=O;c1cc(cc(c1)I)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C17H22IN3O6S/c18-11-3-1-2-10(6-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)5-4-12(19)17(26)27/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-(3-iodobenzyl)-L-cysteinylglycine",""],["GBJ","4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol","C20 H20 O4","O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C;CC1(C)Oc2ccc3C[CH](COc3c2C=C1)c4ccc(O)cc4O;CC1(C=Cc2c(ccc3c2OCC(C3)c4ccc(cc4O)O)O1)C","InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1","glabridin","2013-10-24","2021-03-01","4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol","2014-02-19"],["XSD","7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C22 H19 N7 O","c1(cc(ccc1)Cn4ncc(Cc2cc(N)nc3c2nnn3)c4)Oc5ccccc5;Nc1cc(Cc2cnn(Cc3cccc(Oc4ccccc4)c3)c2)c5nn[nH]c5n1;c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N","InChI=1S/C22H19N7O/c23-20-11-17(21-22(25-20)27-28-26-21)9-16-12-24-29(14-16)13-15-5-4-8-19(10-15)30-18-6-2-1-3-7-18/h1-8,10-12,14H,9,13H2,(H3,23,25,26,27,28)","","2021-01-08","2021-04-16","7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2021-04-21"],["A1AUY","(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine","C16 H15 F2 N5","FC1(F)CCC(CC1)c1cnn2ccc(nc12)c1ncccn1;FC1(F)CCC(CC1)c2cnn3ccc(nc23)c4ncccn4;c1cnc(nc1)c2ccn3c(n2)c(cn3)C4CCC(CC4)(F)F","InChI=1S/C16H15F2N5/c17-16(18)5-2-11(3-6-16)12-10-21-23-9-4-13(22-15(12)23)14-19-7-1-8-20-14/h1,4,7-11H,2-3,5-6H2","","2024-06-12","2024-10-11","(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine","2024-10-16"],["A1AUZ","N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide","C12 H9 Cl N4 O4 S2","CC=1ONC(=O)C=1S(=O)(=O)Nc1cccc(c1)c1nnsc1Cl;CC1=C(C(=O)NO1)[S](=O)(=O)Nc2cccc(c2)c3nnsc3Cl;CC1=C(C(=O)NO1)S(=O)(=O)Nc2cccc(c2)c3c(snn3)Cl","InChI=1S/C12H9ClN4O4S2/c1-6-10(12(18)15-21-6)23(19,20)16-8-4-2-3-7(5-8)9-11(13)22-17-14-9/h2-5,16H,1H3,(H,15,18)","","2024-06-12","2024-06-14","N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide","2024-06-19"],["XSE","(6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone","C21 H18 F N7 O S","O=C(N1CCNCC1)c1ccc(nc1)Nc1ncc(F)c(n1)c1cc2ncsc2cc1;Fc1cnc(Nc2ccc(cn2)C(=O)N3CCNCC3)nc1c4ccc5scnc5c4;c1cc2c(cc1c3c(cnc(n3)Nc4ccc(cn4)C(=O)N5CCNCC5)F)ncs2","InChI=1S/C21H18FN7OS/c22-15-11-25-21(28-19(15)13-1-3-17-16(9-13)26-12-31-17)27-18-4-2-14(10-24-18)20(30)29-7-5-23-6-8-29/h1-4,9-12,23H,5-8H2,(H,24,25,27,28)","","2022-12-06","2023-12-08","(6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone","2023-12-13"],["GBK","(2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine","C19 H24 N2 O","COc1ccccc1CN[CH]2CCCN[CH]2c3ccccc3;COc1ccccc1CNC2CCCNC2c3ccccc3","InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1","","2018-09-11","2019-01-11","(2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine","2019-01-16"],["XSF","2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3(4H)-yl]-N-{[4-chloro-3-(trifluoromethoxy)phenyl]methyl}-N-methylacetamide","C26 H26 Cl F3 N4 O4","O=C(C)N1CCC(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(Cl)c(OC(F)(F)F)c3)C(=O)c2c1;CN(Cc1ccc(Cl)c(OC(F)(F)F)c1)C(=O)CN2C=Nc3ccc(cc3C2=O)C4CCN(CC4)C(C)=O;CC(=O)N1CCC(CC1)c2ccc3c(c2)C(=O)N(C=N3)CC(=O)N(C)Cc4ccc(c(c4)OC(F)(F)F)Cl","InChI=1S/C26H26ClF3N4O4/c1-16(35)33-9-7-18(8-10-33)19-4-6-22-20(12-19)25(37)34(15-31-22)14-24(36)32(2)13-17-3-5-21(27)23(11-17)38-26(28,29)30/h3-6,11-12,15,18H,7-10,13-14H2,1-2H3","","2023-06-08","2024-12-13","2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3(4H)-yl]-N-{[4-chloro-3-(trifluoromethoxy)phenyl]methyl}-N-methylacetamide","2024-12-18"],["GBL","GAMMA-BUTYROLACTONE","C4 H6 O2","O=C1OCCC1;O=C1CCCO1;C1CC(=O)OC1","InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2","DIHYDROFURAN-2(3H)-ONE","2006-01-04","2021-03-01","dihydrofuran-2(3H)-one",""],["A1AV9","Targocil-II","C26 H22 Cl N O6","O=C(O)C1CCCN1C(=O)CC1=C(C)c2cc3c(occ3c3ccc(Cl)cc3)c(C)c2OC1=O;CC1=C(CC(=O)N2CCC[CH]2C(O)=O)C(=O)Oc3c(C)c4occ(c5ccc(Cl)cc5)c4cc13;Cc1c2c(cc3c1OC(=O)C(=C3C)CC(=O)N4CCCC4C(=O)O)c(co2)c5ccc(cc5)Cl","InChI=1S/C26H22ClNO6/c1-13-17-10-19-20(15-5-7-16(27)8-6-15)12-33-23(19)14(2)24(17)34-26(32)18(13)11-22(29)28-9-3-4-21(28)25(30)31/h5-8,10,12,21H,3-4,9,11H2,1-2H3,(H,30,31)/t21-/m1/s1","1-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-proline","2024-06-28","2025-04-18","1-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-proline","2025-04-23"],["GBM","5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide","C23 H28 Cl N3 O5 S","O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc3;COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3;COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl","InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)","Glibenclamide; Glyburide","2015-04-03","2021-03-13","5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide","2015-11-25"],["XSG","7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C23 H24 N6","C(NC2c1ccccc1CC2)CC(c3c4c(nc(N)c3)nnn4)c5ccccc5;Nc1cc([CH](CCN[CH]2CCc3ccccc23)c4ccccc4)c5nn[nH]c5n1;c1ccc(cc1)C(CCNC2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N","InChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20-/m1/s1","","2021-01-08","2021-04-16","7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2021-04-21"],["A1AVA","2-acetamido-2,3-dideoxy-D-ribo-hexitol","C8 H17 N O5","OC(CC(NC(C)=O)CO)C(O)CO;CC(=O)N[CH](CO)C[CH](O)[CH](O)CO;CC(=O)NC(CC(C(CO)O)O)CO","InChI=1S/C8H17NO5/c1-5(12)9-6(3-10)2-7(13)8(14)4-11/h6-8,10-11,13-14H,2-4H2,1H3,(H,9,12)/t6-,7+,8-/m1/s1","","2024-06-14","2025-08-01","2-acetamido-2,3-dideoxy-D-ribo-hexitol","2025-08-06"],["GBN","[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID","C9 H17 N O2","O=C(O)CC1(CN)CCCCC1;NCC1(CCCCC1)CC(O)=O;C1CCC(CC1)(CC(=O)O)CN","InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)","GABAPENTIN","2005-05-19","2020-06-17","[1-(aminomethyl)cyclohexyl]acetic acid",""],["A1AVE","N-ethyl-5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]-N-(propan-2-yl)benzamide","C27 H37 F N6 O2","CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC2)CC2(C)CC2)C1;CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2nncnc2N3CC4(CCN(CC4)CC5(C)CC5)C3;CCN(C(C)C)C(=O)c1cc(ccc1Oc2c(ncnn2)N3CC4(C3)CCN(CC4)CC5(CC5)C)F","InChI=1S/C27H37FN6O2/c1-5-34(19(2)3)25(35)21-14-20(28)6-7-22(21)36-24-23(29-18-30-31-24)33-16-27(17-33)10-12-32(13-11-27)15-26(4)8-9-26/h6-7,14,18-19H,5,8-13,15-17H2,1-4H3","","2024-06-14","2025-01-10","N-ethyl-5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]-N-(propan-2-yl)benzamide","2025-01-15"],["XSH","~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide","C21 H26 N6 O3","CC(=O)N[CH](CC#C)C(=O)N1CCC(CC1)COc2cccc3nc(N)nc(N)c23;CC(=O)NC(CC#C)C(=O)N1CCC(CC1)COc2cccc3c2c(nc(n3)N)N","InChI=1S/C21H26N6O3/c1-3-5-16(24-13(2)28)20(29)27-10-8-14(9-11-27)12-30-17-7-4-6-15-18(17)19(22)26-21(23)25-15/h1,4,6-7,14,16H,5,8-12H2,2H3,(H,24,28)(H4,22,23,25,26)/t16-/m1/s1","","2023-11-09","2024-11-15","~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide","2024-11-20"],["GBO","(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate","C20 H35 N3 O9 P2 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCC(=C/CCC(=C/COP(=O)(O)OP(=O)(O)O)/C)/C;CC(CCC=C(C)CNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2","InChI=1S/C20H35N3O9P2S/c1-14(10-11-31-34(29,30)32-33(26,27)28)6-5-7-15(2)12-21-18(24)9-4-3-8-17-19-16(13-35-17)22-20(25)23-19/h7,10,16-17,19H,3-6,8-9,11-13H2,1-2H3,(H,21,24)(H,29,30)(H2,22,23,25)(H2,26,27,28)/b14-10+,15-7+/t16-,17-,19-/m0/s1","Biotin-GPP","2008-10-15","2021-03-01","(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate",""],["A1AVF","(1R,5R)-2-({5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]phenyl}methyl)-2-azabicyclo[3.1.0]hexan-3-one","C27 H33 F N6 O2","O=C1CC2CC2N1Cc1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC2)CC2(C)CC2)C1;CC1(CC1)CN2CCC3(CC2)CN(C3)c4ncnnc4Oc5ccc(F)cc5CN6[CH]7C[CH]7CC6=O;CC1(CC1)CN2CCC3(CC2)CN(C3)c4c(nncn4)Oc5ccc(cc5CN6C7CC7CC6=O)F","InChI=1S/C27H33FN6O2/c1-26(4-5-26)14-32-8-6-27(7-9-32)15-33(16-27)24-25(31-30-17-29-24)36-22-3-2-20(28)10-19(22)13-34-21-11-18(21)12-23(34)35/h2-3,10,17-18,21H,4-9,11-16H2,1H3/t18-,21-/m1/s1","","2024-06-14","2025-01-10","(1R,5R)-2-({5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]phenyl}methyl)-2-azabicyclo[3.1.0]hexan-3-one","2025-01-15"],["XSI","N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid","C21 H23 N5 O6 S","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cn1)CCCCc1cc2C(=O)NC(N)=Nc2s1;NC1=Nc2sc(CCCCc3ccc(nc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(ncc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H23N5O6S/c22-21-25-17(29)13-9-12(33-19(13)26-21)4-2-1-3-11-5-6-14(23-10-11)18(30)24-15(20(31)32)7-8-16(27)28/h5-6,9-10,15H,1-4,7-8H2,(H,24,30)(H,27,28)(H,31,32)(H3,22,25,26,29)/t15-/m0/s1","","2022-12-06","2023-05-05","N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid","2023-05-10"],["GBP","S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE","C17 H23 Br N4 O8 S","Brc1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1;N[CH](CCC(=O)N[CH](CS[CH](O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1N(C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br","InChI=1S/C17H23BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycine",""],["XSK","1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one","C22 H20 F3 N5 O4","FC(F)(F)Oc1ccc(cc1)OCC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(OCC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1;c1cc(ccc1OCC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F","InChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-4-2-16(3-5-17)33-12-20(31)29-8-14-10-30(11-15(14)9-29)21(32)13-1-6-18-19(7-13)27-28-26-18/h1-7,14-15H,8-12H2,(H,26,27,28)","","2023-06-08","2024-12-13","1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one","2024-12-18"],["A1AVQ","1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one","C10 H13 N O S","NCCc1ccc(cc1)C(=O)CS;NCCc1ccc(cc1)C(=O)CS;c1cc(ccc1CCN)C(=O)CS","InChI=1S/C10H13NOS/c11-6-5-8-1-3-9(4-2-8)10(12)7-13/h1-4,13H,5-7,11H2","","2024-06-20","2024-09-06","1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one","2024-09-11"],["GBQ","5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one","C23 H21 F7 N4 O3","C[CH](O[CH]1OCCN(CC2=NC(=O)NN2)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F;CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F","InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1","","2018-09-11","2019-01-11","5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one","2019-01-16"],["A1AVR","1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one","C9 H11 N O S","NCc1cccc(c1)C(=O)CS;NCc1cccc(c1)C(=O)CS;c1cc(cc(c1)C(=O)CS)CN","InChI=1S/C9H11NOS/c10-5-7-2-1-3-8(4-7)9(11)6-12/h1-4,12H,5-6,10H2","","2024-06-20","2024-09-06","1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one","2024-09-11"],["XSL","[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid","C16 H15 F3 N O5 P","O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F;c1ccc(c(c1)C(CNC(=O)COc2ccccc2P(=O)(O)O)(F)F)F","InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)","","2023-01-30","2024-04-26","[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid","2024-05-01"],["XSM","(2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid","C8 H14 B N3 O4","c1c(ncn1)CNC(C(O)=O)CCB(O)O;OB(O)CC[CH](NCc1c[nH]cn1)C(O)=O;B(CCC(C(=O)O)NCc1c[nH]cn1)(O)O","InChI=1S/C8H14BN3O4/c13-8(14)7(1-2-9(15)16)11-4-6-3-10-5-12-6/h3,5,7,11,15-16H,1-2,4H2,(H,10,12)(H,13,14)/t7-/m1/s1","","2021-01-10","2022-01-07","(2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid","2022-01-12"],["GBR","5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine","C11 H17 Br N5 O12 P3","O=P(O)(O)C(Br)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Br)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Br)O)O)N=C(NC2=O)N","InChI=1S/C11H17BrN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10+/m0/s1","","2009-09-14","2011-06-04","5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine",""],["GBS","4-carbamimidamidobenzoic acid","C8 H9 N3 O2","NC(=N)Nc1ccc(cc1)C(=O)O;NC(=N)Nc1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)NC(=N)N","InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)","Nafamostat, bound form","1999-07-08","2024-09-27","4-carbamimidamidobenzoic acid",""],["XSN","L-alpha-asparagine","C4 H8 N2 O3","O=C(N)C(N)CC(=O)O;N[CH](CC(O)=O)C(N)=O;C(C(C(=O)N)N)C(=O)O","InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1","","2011-05-13","2024-09-27","L-alpha-asparagine",""],["A1AVV","N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide","C16 H14 N2 O","O=C(C)Nc1ccc(cc1)C#Cc1cccc(N)c1;CC(=O)Nc1ccc(cc1)C#Cc2cccc(N)c2;CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N","InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19)","","2024-06-24","2025-06-20","N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide","2025-06-25"],["XSO","N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid","C21 H22 F N5 O6 S","O=C(O)C(CCC(=O)O)NC(=O)c1ncc(cc1F)CCCCc1cc2C(=O)N=C(N)Nc2s1;NC1=NC(=O)c2cc(CCCCc3cnc(C(=O)N[CH](CCC(O)=O)C(O)=O)c(F)c3)sc2N1;c1c(cnc(c1F)C(=O)NC(CCC(=O)O)C(=O)O)CCCCc2cc3c(s2)NC(=NC3=O)N","InChI=1S/C21H22FN5O6S/c22-13-7-10(9-24-16(13)18(31)25-14(20(32)33)5-6-15(28)29)3-1-2-4-11-8-12-17(30)26-21(23)27-19(12)34-11/h7-9,14H,1-6H2,(H,25,31)(H,28,29)(H,32,33)(H3,23,26,27,30)/t14-/m0/s1","","2022-12-06","2023-05-05","N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid","2023-05-10"],["A1AVY","1-(5-{4-[6-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one","C20 H21 F3 N4 O3 S","O=S(=O)(c1cc2CCN(C(C)=O)c2cc1)N1CCN(CC1)c1cccc(n1)C(F)(F)F;CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F;CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F","InChI=1S/C20H21F3N4O3S/c1-14(28)27-8-7-15-13-16(5-6-17(15)27)31(29,30)26-11-9-25(10-12-26)19-4-2-3-18(24-19)20(21,22)23/h2-6,13H,7-12H2,1H3","","2024-06-24","2025-02-07","1-(5-{4-[6-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one","2025-02-12"],["GBT","(8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one","C29 H33 N7 O3","Cc4nc(N)cc5OCCC=CCCCOc1c(ccc(c1)Cn2cccn2)Cn3ncc(c3)C(NCc45)=O;Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn5cc(cn5)C(=O)NCc12;Cc1c2c(cc(n1)N)OCCC=CCCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5","InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+","","2016-10-12","2016-12-16","(8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one","2016-12-21"],["XSP","(2R)-3-oxo-2-(phosphonooxy)propanoic acid","C3 H5 O7 P","O=P(OC(C=O)C(=O)O)(O)O;OC(=O)[CH](O[P](O)(O)=O)C=O;C(=O)C(C(=O)O)OP(=O)(O)O","InChI=1S/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m1/s1","D-tartronate semialdehyde 2-phosphate","2012-07-30","2021-03-01","(2R)-3-oxo-2-(phosphonooxy)propanoic acid",""],["GBU","(1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol","C18 H20 Cl N O2","CN1CCc2c(Cl)c(O)c(O)cc2[CH](C1)c3cccc(C)c3;Cc1cccc(c1)C2CN(CCc3c2cc(c(c3Cl)O)O)C","InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m0/s1","","2020-08-17","2021-02-26","(1~{S})-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol","2021-03-03"],["A1AVZ","1-(5-{4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one","C20 H21 F3 N4 O3 S","O=S(=O)(c1cc2CCN(C(C)=O)c2cc1)N1CCN(CC1)c1cc(ccn1)C(F)(F)F;CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(ccn4)C(F)(F)F;CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(ccn4)C(F)(F)F","InChI=1S/C20H21F3N4O3S/c1-14(28)27-7-5-15-12-17(2-3-18(15)27)31(29,30)26-10-8-25(9-11-26)19-13-16(4-6-24-19)20(21,22)23/h2-4,6,12-13H,5,7-11H2,1H3","","2024-06-24","2025-02-07","1-(5-{4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one","2025-02-12"],["GBV","N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide","C20 H26 N2 O4 S3","C(COc1ccc(cc1)CC=2C(NC(=O)S=2)=O)NC(CCCCC3CCSS3)=O;O=C(CCCC[CH]1CCSS1)NCCOc2ccc(CC3=[SH]C(=O)NC3=O)cc2;c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3","InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16,28H,1-4,9-13H2,(H,21,23)(H,22,24,25)/t16-/m1/s1","","2018-05-18","2019-05-17","N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide","2019-05-22"],["XSQ","(5M)-5-[4-(cyclopropylmethoxy)naphthalen-2-yl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C17 H17 N3 O2","O=C1NN=C(c2cc(OCC3CC3)c3ccccc3c2)N1C;CN1C(=O)NN=C1c2cc(OCC3CC3)c4ccccc4c2;CN1C(=NNC1=O)c2cc3ccccc3c(c2)OCC4CC4","InChI=1S/C17H17N3O2/c1-20-16(18-19-17(20)21)13-8-12-4-2-3-5-14(12)15(9-13)22-10-11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,21)","","2023-06-08","2024-12-13","(5M)-5-[4-(cyclopropylmethoxy)naphthalen-2-yl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["XSR","1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium","C39 H47 F3 N3 O5 Si","O=C(O)c1c(F)c(F)c(C(=O)NCCOCCOCCCCCC)c(F)c1C=1c2ccc(cc2[Si](C)(C)C2=CC(C=CC=12)=[N+]1/CCC1)N1CCC1;CCCCCCOCCOCCNC(=O)c1c(F)c(F)c(C(O)=O)c(c1F)C2=C3C=C[C](C=C3[Si](C)(C)c4cc(ccc24)N5CCC5)=[N+]6C[CH2]C6;CCCCCCOCCOCCNC(=O)c1c(c(c(c(c1F)F)C(=O)O)C2=C3C=CC(=[N+]4CCC4)C=C3[Si](c5c2ccc(c5)N6CCC6)(C)C)F","InChI=1S/C39H46F3N3O5Si/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)/p+1","","2023-11-09","2024-09-27","1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium","2024-06-05"],["GBW","(2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H64 N8 O9 S","COc1cc(cc(OC)c1CN2CCN(CCOCCOCC(=O)NC(C(=O)N3CC(O)CC3C(=O)NCc4ccc(cc4)c5scnc5C)C(C)(C)C)CC2)C6=CN(C)C(=O)c7cnccc67;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O","InChI=1S/C50H64N8O9S/c1-32-45(68-31-53-32)34-10-8-33(9-11-34)25-52-47(61)41-24-36(59)27-58(41)49(63)46(50(2,3)4)54-44(60)30-67-21-20-66-19-18-56-14-16-57(17-15-56)29-40-42(64-6)22-35(23-43(40)65-7)39-28-55(5)48(62)38-26-51-13-12-37(38)39/h8-13,22-23,26,28,31,36,41,46,59H,14-21,24-25,27,29-30H2,1-7H3,(H,52,61)(H,54,60)","","2018-09-11","2019-01-11","(2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2019-01-16"],["XSS","1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C37 H44 F6 N6 O9 S","C46C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC(C)(C)C(F)(F)F)=O)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6;COc1ccc2nc(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC(C)(C)C(F)(F)F)c(nc2c1)C(F)(F)F;CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F","InChI=1S/C37H44F6N6O9S/c1-33(2,37(41,42)43)58-32(53)46-24-11-9-7-5-6-8-10-20-18-35(20,31(52)48-59(54,55)34(3)14-15-34)47-28(50)26-17-22(19-49(26)30(24)51)57-29-27(36(38,39)40)44-25-16-21(56-4)12-13-23(25)45-29/h8,10,12-13,16,20,22,24,26H,5-7,9,11,14-15,17-19H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b10-8-/t20-,22-,24+,26+,35-/m1/s1","NR01-129","2021-01-11","2021-08-27","1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2021-09-01"],["GBX","2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID","C30 H27 N3 O9 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5;N[CH](CCC(=O)N[CH](CS[CH]1[CH](O)C(=O)C(=O)c2cc3ccc4cccc5ccc(c12)c3c45)C(=O)NCC(O)=O)C(O)=O;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C(C(C(=O)C4=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1","GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE","1999-07-08","2021-03-01","L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine",""],["GBZ","(2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","C26 H30 F N5 O9","OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)N(CCNC(=O)c1ccc(F)nc1)c2ccccc2)C(O)=O)C(O)=O;c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C26H30FN5O9/c27-20-11-9-16(15-29-20)23(36)28-13-14-32(17-5-2-1-3-6-17)21(33)8-4-7-18(24(37)38)30-26(41)31-19(25(39)40)10-12-22(34)35/h1-3,5-6,9,11,15,18-19H,4,7-8,10,12-14H2,(H,28,36)(H,34,35)(H,37,38)(H,39,40)(H2,30,31,41)/t18-,19-/m0/s1","","2018-09-12","2018-11-30","(2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","2018-12-05"],["XSU","(4R)-7-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one","C27 H33 N7 O5","O=C1NN=C2CN(CCN21)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;O=C1NN=C2CN(CCN12)C(=O)N3CC4=C(C3)CN(C4)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CN(C5)C(=O)N6CCN7C(=NNC7=O)C6","InChI=1S/C27H33N7O5/c35-25(19-9-22(18-1-2-18)28-24(10-19)39-16-17-3-7-38-8-4-17)32-11-20-13-33(14-21(20)12-32)27(37)31-5-6-34-23(15-31)29-30-26(34)36/h9-10,17-18H,1-8,11-16H2,(H,30,36)","","2023-06-08","2024-12-13","(4R)-7-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one","2024-12-18"],["A1AWQ","methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate","C9 H9 N3 O3","O=C(OC)c1cnn2c(O)cc(C)nc12;COC(=O)c1cnn2c(O)cc(C)nc12;Cc1cc(n2c(n1)c(cn2)C(=O)OC)O","InChI=1S/C9H9N3O3/c1-5-3-7(13)12-8(11-5)6(4-10-12)9(14)15-2/h3-4,13H,1-2H3","","2024-07-02","2025-03-07","methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate","2025-03-12"],["XSV","1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C38 H44 F6 N6 O9 S","C47C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5(CCC5)C(F)(F)F)=O)=O)(C(NS(C6(CC6)C)(=O)=O)=O)C7;COc1ccc2nc(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(CCC7)C(F)(F)F)c(nc2c1)C(F)(F)F;CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F","InChI=1S/C38H44F6N6O9S/c1-34(15-16-34)60(55,56)49-32(53)36-19-21(36)9-6-4-3-5-7-10-25(47-33(54)59-35(13-8-14-35)38(42,43)44)31(52)50-20-23(18-27(50)29(51)48-36)58-30-28(37(39,40)41)45-26-17-22(57-2)11-12-24(26)46-30/h6,9,11-12,17,21,23,25,27H,3-5,7-8,10,13-16,18-20H2,1-2H3,(H,47,54)(H,48,51)(H,49,53)/b9-6-/t21-,23-,25+,27+,36-/m1/s1","NR02-59","2021-01-12","2021-08-27","1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2021-09-01"],["GC0","(3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide","C36 H40 N12 O6","Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc(OC)c2n1CCCC1COc2cc(cc3nc(NC(=O)c4cc(C)nn4CC)n1c23)C(N)=O)C(N)=O;CCn1nc(C)cc1C(=O)Nc2nc3cc(cc(OC)c3n2CCC[CH]4COc5cc(cc6nc(NC(=O)c7cc(C)nn7CC)n4c56)C(N)=O)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CCCC4COc5cc(cc6c5n4c(n6)NC(=O)c7cc(nn7CC)C)C(=O)N)OC)C(=O)N","InChI=1S/C36H40N12O6/c1-6-46-25(11-18(3)43-46)33(51)41-35-39-23-13-20(31(37)49)15-27(53-5)29(23)45(35)10-8-9-22-17-54-28-16-21(32(38)50)14-24-30(28)48(22)36(40-24)42-34(52)26-12-19(4)44-47(26)7-2/h11-16,22H,6-10,17H2,1-5H3,(H2,37,49)(H2,38,50)(H,39,41,51)(H,40,42,52)/t22-/m0/s1","","2021-12-20","2022-12-16","(3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide","2022-12-21"],["XSX","3-[(3R)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)","C13 H20 N3 O11 P","O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C1OC(COP(=O)(O)O)C(O)C1O;N[CH](CCN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O)C(O)=O;C1=CN(C(=O)N(C1=O)CCC(C(=O)O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7-,9-,10-,11-/m1/s1","","2022-12-07","2023-09-01","3-[(3R)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)","2023-09-06"],["A1AWR","1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one","C29 H34 Cl F4 N7 O2","CN1CCCC1COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CCN(CC1C)C(=O)CC;CCC(=O)N1CCN([CH](C)C1)c2nc(OC[CH]3CCCN3C)nc4c(F)c(c(Cl)cc24)c5nc(N)cc(C)c5C(F)(F)F;CCC(=O)N1CCN(C(C1)C)c2c3cc(c(c(c3nc(n2)OCC4CCCN4C)F)c5c(c(cc(n5)N)C)C(F)(F)F)Cl","InChI=1S/C29H34ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h11-12,16-17H,5-10,13-14H2,1-4H3,(H2,35,36)/t16-,17-/m0/s1","divarasib, bound form","2024-07-05","2024-12-06","1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one","2024-12-11"],["GC1","2,6-anhydro-L-gulonic acid","C6 H10 O6","O=C(O)C1OCC(O)C(O)C1O;O[CH]1CO[CH]([CH](O)[CH]1O)C(O)=O;C1C(C(C(C(O1)C(=O)O)O)O)O","InChI=1S/C6H10O6/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5-/m0/s1","1-deoxy-D-glucuronic acid","2007-03-21","2020-07-17","2,6-anhydro-L-gulonic acid",""],["XSY","(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C39 H47 F3 N6 O9 S","C48C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5CC6C(C5)C6)=O)=O)(C(NS(C7(CC7)C)(=O)=O)=O)C8;COc1ccc2nc(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7C[CH]8C[CH]8C7)c(nc2c1)C(F)(F)F;CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7CC8CC8C7","InChI=1S/C39H47F3N6O9S/c1-37(12-13-37)58(53,54)47-35(51)38-19-23(38)8-6-4-3-5-7-9-28(45-36(52)57-25-15-21-14-22(21)16-25)34(50)48-20-26(18-30(48)32(49)46-38)56-33-31(39(40,41)42)43-29-17-24(55-2)10-11-27(29)44-33/h6,8,10-11,17,21-23,25-26,28,30H,3-5,7,9,12-16,18-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b8-6-/t21-,22+,23-,25+,26-,28+,30+,38-/m1/s1","","2021-01-12","2021-08-27","(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2021-09-01"],["GC2","6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE","C10 H18 N2 O4","O=C(NC2C(O)C(O)C1N(CCC1O)C2)C;CC(=O)N[CH]1CN2CC[CH](O)[CH]2[CH](O)[CH]1O;CC(=O)NC1CN2CCC(C2C(C1O)O)O","InChI=1S/C10H18N2O4/c1-5(13)11-6-4-12-3-2-7(14)8(12)10(16)9(6)15/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7-,8+,9+,10+/m0/s1","N-[(1S,6S,7R,8R,8AR)-1,7,8-TRIHYDROXYOCTAHYDROINDOLIZIN-6-YL]ACETAMIDE","2010-07-02","2020-06-17","N-[(1S,6S,7R,8R,8aR)-1,7,8-trihydroxyoctahydroindolizin-6-yl]acetamide",""],["A1AWU","[(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","C20 H25 N10 O11 P","NC1=Nc2c(ncn2C2OC(CO)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(=O)N1;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N","InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)","","2024-07-08","2024-08-30","(2S,3R,4R,5S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl [(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)","2024-09-04"],["A1AWV","Pexmetinib","C31 H33 F N6 O3","OCCn1ncc2cc(ccc21)Oc1ccc(F)cc1CNC(=O)Nc1cc(nn1c1ccc(C)cc1)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)NCc3cc(F)ccc3Oc4ccc5n(CCO)ncc5c4)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCc3cc(ccc3Oc4ccc5c(c4)cnn5CCO)F","InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)","N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea","2024-07-08","2024-11-08","N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea","2024-11-13"],["GC3","(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL","C8 H13 N O6","N1=C(OC2OC(C(O)C(O)C12)CO)CO;OC[CH]1O[CH]2OC(=N[CH]2[CH](O)[CH]1O)CO;C(C1C(C(C2C(O1)OC(=N2)CO)O)O)O","InChI=1S/C8H13NO6/c10-1-3-6(12)7(13)5-8(14-3)15-4(2-11)9-5/h3,5-8,10-13H,1-2H2/t3-,5-,6-,7-,8-/m1/s1","","2010-11-02","2012-06-15","(3aR,5R,6S,7R,7aR)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol",""],["XSZ","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-N-(oxetan-3-yl)-1H-imidazole-5-carboxamide","C20 H23 Cl N4 O3","O=C(NC1COC1)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C;Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1C(=O)NC3COC3;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)C(=O)NC3COC3)Cl)C#N","InChI=1S/C20H23ClN4O3/c1-20(2,3)14-5-12(7-22)15(21)6-17(14)28-11-18-23-8-16(25(18)4)19(26)24-13-9-27-10-13/h5-6,8,13H,9-11H2,1-4H3,(H,24,26)","","2023-06-08","2024-12-13","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-N-(oxetan-3-yl)-1H-imidazole-5-carboxamide","2024-12-18"],["XT0","2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile","C21 H20 N4 O2","Oc1cc(Cn2cc(nn2)C3CCCC3)ccc1Oc4ccccc4C#N;c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4","InChI=1S/C21H20N4O2/c22-12-17-7-3-4-8-20(17)27-21-10-9-15(11-19(21)26)13-25-14-18(23-24-25)16-5-1-2-6-16/h3-4,7-11,14,16,26H,1-2,5-6,13H2","PT512","2017-01-10","2020-06-17","2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile","2017-02-15"],["A1AWY","3-bromo-3-oxopropanoic acid","C3 H3 Br O3","BrC(=O)CC(=O)O;OC(=O)CC(Br)=O;C(C(=O)O)C(=O)Br","InChI=1S/C3H3BrO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)","","2024-07-10","2025-02-28","3-bromo-3-oxopropanoic acid","2025-03-05"],["GC4","4-deoxy-beta-D-glucopyranuronic acid","C6 H10 O6","O=C(O)C1OC(O)C(O)C(O)C1;O[CH]1C[CH](O[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1C(=O)O)O)O)O","InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1","4-DEOXY-D-GLUCURONIC ACID; 4-deoxy-beta-D-glucuronic acid; 4-deoxy-glucuronic acid","1999-11-08","2020-07-17","4-deoxy-beta-D-xylo-hexopyranuronic acid",""],["GC5","S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate","C17 H31 N2 O8 P S","CCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C17H31N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h6-7,15,22H,4-5,8-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/b7-6-/t15-/m0/s1","","2022-01-28","2023-03-23","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hex-2-enethioate","2023-02-01"],["A1AWZ","(2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol","C29 H24 F5 N5 O3","OC(Cn1cc(nn1)c1cc2cccnc2c(OC)c1)(c1cc(c(F)c(n1)c1ccc(F)cc1)C(C)(C)O)C(F)(F)F;COc1cc(cc2cccnc12)c3cn(C[C](O)(c4cc(c(F)c(n4)c5ccc(F)cc5)C(C)(C)O)C(F)(F)F)nn3;CC(C)(c1cc(nc(c1F)c2ccc(cc2)F)C(Cn3cc(nn3)c4cc5cccnc5c(c4)OC)(C(F)(F)F)O)O","InChI=1S/C29H24F5N5O3/c1-27(2,40)20-13-23(36-26(24(20)31)16-6-8-19(30)9-7-16)28(41,29(32,33)34)15-39-14-21(37-38-39)18-11-17-5-4-10-35-25(17)22(12-18)42-3/h4-14,40-41H,15H2,1-3H3/t28-/m0/s1","JNJ-2729","2024-07-10","2025-01-03","(2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol","2025-01-08"],["XT1","(2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid","C45 H70 O13","O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5C)CC6)C)C(O)CC7;C[CH]1CC[C]2(OCCC[CH]2C)O[CH]1[CH](C)C[CH](O)[CH]3O[CH]4CC[C]5(CC[CH](O5)C=C[CH](C)[CH]6CC(=C[C]7(O[CH](CC[CH]7O)C[C](C)(O)C(O)=O)O6)C)O[CH]4[CH](O)C3=C;CC1CCC2(C(CCCO2)C)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O","InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1","DINOPHYSISTOXIN-1","2009-10-22","2021-03-01","(2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",""],["XT2","(2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(\n2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p\nyran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid","C44 H68 O13","O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5)CC6)C)C(O)CC7;C[CH](C[CH](O)[CH]1O[CH]2CC[C]3(CC[CH](O3)C=C[CH](C)[CH]4CC(=C[C]5(O[CH](CC[CH]5O)C[C](C)(O)C(O)=O)O4)C)O[CH]2[CH](O)C1=C)[CH]6CCC[C]7(OCCC[CH]7C)O6;CC1CCCOC12CCCC(O2)C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O","InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28+,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1","DINOPHYSISTOXIN-2","2009-10-22","2020-06-17","(2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid",""],["A1AXA","{4-[(oxan-4-yl)oxy]phenyl}methanol","C12 H16 O3","OCc1ccc(cc1)OC1CCOCC1;OCc1ccc(OC2CCOCC2)cc1;c1cc(ccc1CO)OC2CCOCC2","InChI=1S/C12H16O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12-13H,5-9H2","","2024-07-10","2025-03-21","{4-[(oxan-4-yl)oxy]phenyl}methanol","2025-03-26"],["GC6","[(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone","C26 H30 N6 O2","N[CH]1CCCN(C1)C(=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC5(O)CCCCC5;c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCCC(C4)N)c5ccnc(n5)N","InChI=1S/C26H30N6O2/c27-19-5-4-14-31(16-19)24(33)21-17-32(23-9-13-29-25(28)30-23)22-15-18(6-7-20(21)22)8-12-26(34)10-2-1-3-11-26/h6-7,9,13,15,17,19,34H,1-5,10-11,14,16,27H2,(H2,28,29,30)/t19-/m1/s1","","2020-08-18","2021-08-06","[(3~{R})-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone","2021-08-11"],["GC7","1-GUANIDINIUM-7-AMINOHEPTANE","C8 H22 N4","NC(N)NCCCCCCCN;NCCCCCCCNC(N)N;C(CCCN)CCCNC(N)N","InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2","","2003-12-08","2011-06-04","N-(7-aminoheptyl)methanetriamine",""],["XT3","2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile","C22 H22 N4 O2","Oc1cc(Cn2cc(nn2)C3CCCCC3)ccc1Oc4ccccc4C#N;c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4","InChI=1S/C22H22N4O2/c23-13-18-8-4-5-9-21(18)28-22-11-10-16(12-20(22)27)14-26-15-19(24-25-26)17-6-2-1-3-7-17/h4-5,8-12,15,17,27H,1-3,6-7,14H2","","2017-01-10","2017-02-10","2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile","2017-02-15"],["A1AXB","N-(5-chloro-2-methoxyphenyl)thiourea","C8 H9 Cl N2 O S","COc1ccc(Cl)cc1NC(N)=S;COc1ccc(Cl)cc1NC(N)=S;COc1ccc(cc1NC(=S)N)Cl","InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)","","2024-07-10","2025-03-21","N-(5-chloro-2-methoxyphenyl)thiourea","2025-03-26"],["A1AXE","1-methyl-1H-indole-6-carboxylic acid","C10 H9 N O2","O=C(O)c1ccc2ccn(C)c2c1;Cn1ccc2ccc(cc12)C(O)=O;Cn1ccc2c1cc(cc2)C(=O)O","InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)","","2024-07-10","2025-03-21","1-methyl-1H-indole-6-carboxylic acid","2025-03-26"],["XT4","tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C37 H47 F3 N6 O9 S","C15CC1(NC(C4CC(Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)CN4C(C(NC(OC(C)(C)C)=O)CCCCCC=C5)=O)=O)C(NS(C6(C)CC6)(=O)=O)=O;COc1ccc2nc(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC(C)(C)C)c(nc2c1)C(F)(F)F;CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C","InChI=1S/C37H47F3N6O9S/c1-34(2,3)55-33(50)43-25-12-10-8-6-7-9-11-21-19-36(21,32(49)45-56(51,52)35(4)15-16-35)44-29(47)27-18-23(20-46(27)31(25)48)54-30-28(37(38,39)40)41-26-17-22(53-5)13-14-24(26)42-30/h9,11,13-14,17,21,23,25,27H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t21-,23-,25+,27+,36-/m1/s1","","2021-01-12","2021-08-27","tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2021-09-01"],["GC8","2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide","C20 H22 Cl2 N2 O2","Clc3ccc(OCC(=O)Nc1ccc(cc1)CN2CCCCC2)c(Cl)c3;Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1;c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl","InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)","","2013-06-26","2016-02-26","2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide","2016-03-02"],["GC9","2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid","C11 H17 N O9","C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O;OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1NC(=O)CO)C(O)=O;C1=C(OC(C(C1O)NC(=O)CO)C(C(CO)O)O)C(=O)O","InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1","","2018-11-05","2020-07-17","2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid","2019-10-02"],["A1AXF","1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine","C10 H12 Cl F2 N3","FC(F)c1cc(ncc1Cl)N1CCNCC1;FC(F)c1cc(ncc1Cl)N2CCNCC2;c1c(c(cnc1N2CCNCC2)Cl)C(F)F","InChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2","","2024-07-10","2025-03-21","1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine","2025-03-26"],["XT5","5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol","C19 H19 N3 O2","Cc1ccccc1Oc2ccc(Cn3cc(nn3)C4CC4)cc2O;Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4","InChI=1S/C19H19N3O2/c1-13-4-2-3-5-18(13)24-19-9-6-14(10-17(19)23)11-22-12-16(20-21-22)15-7-8-15/h2-6,9-10,12,15,23H,7-8,11H2,1H3","","2017-01-12","2017-02-10","5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol","2017-02-15"],["GCA","6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL","C19 H26 N2 O3","O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C;CCOCN1C(=O)NC(=O)C(=C1Cc2cc(C)cc(C)c2)C(C)C;CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C","InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)","GCA-186","1999-07-26","2021-03-01","6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione",""],["XT7","5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide","C29 H36 N4 O2 S","CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c5ccc(CNC4CC(CC4)O)s5;C[CH](NC(=O)c1cc(NC2CNC2)ccc1C)c3cccc(c3)c4sc(CN[CH]5CC[CH](O)C5)cc4;Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CNC4CCC(C4)O)NC5CNC5","InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25-/m1/s1","","2021-01-12","2021-02-19","5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide","2021-02-24"],["A1AXQ","2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole","C9 H7 Br N2 O","Cc1nnc(o1)c1cc(Br)ccc1;Cc1oc(nn1)c2cccc(Br)c2;Cc1nnc(o1)c2cccc(c2)Br","InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3","","2024-07-11","2025-03-21","2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole","2025-03-26"],["A1AXR","[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid","C12 H12 N2 O2","OC(=O)Cn1ccc(n1)c1ccc(C)cc1;Cc1ccc(cc1)c2ccn(CC(O)=O)n2;Cc1ccc(cc1)c2ccn(n2)CC(=O)O","InChI=1S/C12H12N2O2/c1-9-2-4-10(5-3-9)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)","","2024-07-11","2025-03-21","[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid","2025-03-26"],["XT8","(2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C15 H18 N2 O6 S2","C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](C(O)=O)c2cscc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccsc2)C(=O)O)C(=O)O)C","InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1","ticarcillin","2019-10-15","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2019-10-30"],["GCB","(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid","C6 H8 O7","O=C1OC(C(=O)O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O;C1(C(C(OC(=O)C1O)C(=O)O)O)O","InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1","D-GLUCARO-1,5-LACTONE","2002-02-15","2020-07-17","(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)","2018-02-07"],["A1AXU","5-bromo-2-(1H-pyrazol-1-yl)pyrimidine","C7 H5 Br N4","Brc1cnc(nc1)n1cccn1;Brc1cnc(nc1)n2cccn2;c1cnn(c1)c2ncc(cn2)Br","InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H","","2024-07-11","2025-03-21","5-bromo-2-(1H-pyrazol-1-yl)pyrimidine","2025-03-26"],["XT9","6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol","C19 H26 N2 O3","Oc1ccc2CC3N(CCC45C(Oc1c24)C(N)CCC35O)CCC;CCCN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[C]2(O)CC[CH]4N)c35;CCCN1CCC23c4c5ccc(c4OC2C(CCC3(C1C5)O)N)O","InChI=1S/C19H26N2O3/c1-2-8-21-9-7-18-15-11-3-4-13(22)16(15)24-17(18)12(20)5-6-19(18,23)14(21)10-11/h3-4,12,14,17,22-23H,2,5-10,20H2,1H3/t12-,14+,17+,18-,19-/m1/s1","","2022-12-07","2024-10-02","6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol","2023-12-06"],["GCC","[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone","C26 H30 N6 O2","C[CH]1CN(CCN1)C(=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC5(O)CCCCC5;CC1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N","InChI=1S/C26H30N6O2/c1-18-16-31(14-13-28-18)24(33)21-17-32(23-8-12-29-25(27)30-23)22-15-19(5-6-20(21)22)7-11-26(34)9-3-2-4-10-26/h5-6,8,12,15,17-18,28,34H,2-4,9-10,13-14,16H2,1H3,(H2,27,29,30)/t18-/m0/s1","","2020-08-18","2021-08-06","[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3~{S})-3-methylpiperazin-1-yl]methanone","2021-08-11"],["XTA","(1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid","C28 H32 Cl2 N6 O3","c2nc(N1CCN(C)CC1)ncc2Oc4cc(CN3CCC(CC(O)=O)CC3)cc(n4)c5cc(cc(c5)Cl)Cl;CN1CCN(CC1)c2ncc(Oc3cc(CN4CCC(CC4)CC(O)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2;CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O","InChI=1S/C28H32Cl2N6O3/c1-34-6-8-36(9-7-34)28-31-16-24(17-32-28)39-26-11-20(18-35-4-2-19(3-5-35)12-27(37)38)10-25(33-26)21-13-22(29)15-23(30)14-21/h10-11,13-17,19H,2-9,12,18H2,1H3,(H,37,38)","","2021-01-12","2022-01-07","(1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid","2022-01-12"],["A1AXV","N-(3-methylphenyl)thiourea","C8 H10 N2 S","S=C(N)Nc1cc(C)ccc1;Cc1cccc(NC(N)=S)c1;Cc1cccc(c1)NC(=S)N","InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)","","2024-07-11","2025-03-21","N-(3-methylphenyl)thiourea","2025-03-26"],["GCD","4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid","C6 H8 O6","O=C(O)C=1OC(O)C(O)C(O)C=1;O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O;C1=C(OC(C(C1O)O)O)C(=O)O","InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1","4,5-DEHYDRO-D-GLUCURONIC ACID; 4-deoxy-alpha-L-threo-hex-4-enuronic acid; 4-deoxy-L-threo-hex-4-enuronic acid;\n4-deoxy-threo-hex-4-enuronic acid","2000-12-14","2020-07-17","4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid",""],["GCE","(2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide","C20 H22 F2 N4 O2 S","CON(C)C(=O)N1N=C(S[C]1(CCCN)c2ccccc2)c3cc(F)ccc3F;CN(C(=O)N1C(SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC","InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1","","2018-09-12","2019-09-20","(2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide","2019-09-25"],["A1AXY","N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea","C15 H21 N3 S","S=C(NCCc1ccccn1)NC1CC2CCC1C2;S=C(NCCc1ccccn1)N[CH]2C[CH]3CC[CH]2C3;c1ccnc(c1)CCNC(=S)NC2CC3CCC2C3","InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12?,14?/m1/s1","","2024-07-11","2025-03-21","N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea","2025-03-26"],["XTB","N-[(3-chloro-4-cyanophenyl)methyl]-N-methyl-2-[6-{1-[(2R)-oxetane-2-carbonyl]piperidin-4-yl}-4-oxoquinazolin-3(4H)-yl]acetamide","C28 H28 Cl N5 O4","O=C(N1CCC(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1)C1CCO1;CN(Cc1ccc(C#N)c(Cl)c1)C(=O)CN2C=Nc3ccc(cc3C2=O)C4CCN(CC4)C(=O)[CH]5CCO5;CN(Cc1ccc(c(c1)Cl)C#N)C(=O)CN2C=Nc3ccc(cc3C2=O)C4CCN(CC4)C(=O)C5CCO5","InChI=1S/C28H28ClN5O4/c1-32(15-18-2-3-21(14-30)23(29)12-18)26(35)16-34-17-31-24-5-4-20(13-22(24)27(34)36)19-6-9-33(10-7-19)28(37)25-8-11-38-25/h2-5,12-13,17,19,25H,6-11,15-16H2,1H3","","2023-06-08","2024-12-13","N-[(3-chloro-4-cyanophenyl)methyl]-N-methyl-2-[6-{1-[(2R)-oxetane-2-carbonyl]piperidin-4-yl}-4-oxoquinazolin-3(4H)-yl]acetamide","2024-12-18"],["A1AXZ","3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one","C11 H12 N2 O S","O=C1CNC(=S)N1CCc1ccccc1;O=C1CNC(=S)N1CCc2ccccc2;c1ccc(cc1)CCN2C(=O)CNC2=S","InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)","","2024-07-11","2025-03-21","3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one","2025-03-26"],["XTC","(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide","C21 H21 N3 O9","[O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N;CN(C)[CH]1[CH]2C[CH]3Cc4ccc(c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)[N+]([O-])=O;CN(C)C1C2CC3Cc4ccc(c(c4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-]","InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1","9-NITROTETRACYCLINE","2012-05-22","2021-03-01","(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["GCF","3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid","C27 H25 F3 N4 O3","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3cccc(CCC(O)=O)c3)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N","InChI=1S/C27H25F3N4O3/c1-14(2)26(21(13-31)24(32)37-25-23(26)15(3)33-34-25)19-10-18(11-20(12-19)27(28,29)30)17-6-4-5-16(9-17)7-8-22(35)36/h4-6,9-12,14H,7-8,32H2,1-3H3,(H,33,34)(H,35,36)/t26-/m0/s1","","2016-09-14","2017-07-07","3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid","2017-07-12"],["GCG","BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE","C27 H49 N9 O10 S2","O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS;N[CH](CCC(=O)N[CH](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O)C(O)=O;C(CCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N)CNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N","InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1","TRYPANOTHIONE","1999-07-08","2024-09-27","(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name)",""],["A1AYA","[2-(4-methylpiperazin-1-yl)phenyl]methanol","C12 H18 N2 O","CN1CCN(CC1)c1ccccc1CO;CN1CCN(CC1)c2ccccc2CO;CN1CCN(CC1)c2ccccc2CO","InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3","","2024-07-11","2025-03-21","[2-(4-methylpiperazin-1-yl)phenyl]methanol","2025-03-26"],["XTD","{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone","C19 H10 Cl F6 N O S","c3(C(c1c(csc1N)c2cc(C(F)(F)F)cc(c2)C(F)(F)F)=O)ccc(cc3)Cl;Nc1scc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1C(=O)c3ccc(Cl)cc3;c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl","InChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2","","2021-01-12","2021-09-03","{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone","2021-09-08"],["A1AYB","N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine","C13 H14 N2 O","CNCc1ccc(cc1)Oc1ccccn1;CNCc1ccc(Oc2ccccn2)cc1;CNCc1ccc(cc1)Oc2ccccn2","InChI=1S/C13H14N2O/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-9,14H,10H2,1H3","","2024-07-11","2025-03-21","N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine","2025-03-26"],["GCH","GLYCOCHOLIC ACID","C26 H43 N O6","O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C;C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1","N-CHOLYLGLYCINE","2000-03-09","2020-06-17","N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",""],["XTE","E-CFCP-triphosphate","C13 H16 F N6 O12 P3","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)(C#N)C3=CF;c1nc2c(n1C3CC(C(C3=CF)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C#N)O)N=C(NC2=O)N","InChI=1S/C13H16FN6O12P3/c14-2-6-7(20-5-17-9-10(20)18-12(16)19-11(9)22)1-8(21)13(6,3-15)4-30-34(26,27)32-35(28,29)31-33(23,24)25/h2,5,7-8,21H,1,4H2,(H,26,27)(H,28,29)(H2,23,24,25)(H3,16,18,19,22)/b6-2-/t7-,8-,13-/m0/s1","[[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-11-10","2024-07-12","[[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-07-17"],["XTF","[(1R,4R,5S,6R)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate","C12 H16 F N2 O7 P","O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)C(F)C2O;CC1=CN([CH]2C=C[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C=CC(C(C2F)O)COP(=O)(O)O","InChI=1S/C12H16FN2O7P/c1-6-4-15(12(18)14-11(6)17)8-3-2-7(10(16)9(8)13)5-22-23(19,20)21/h2-4,7-10,16H,5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9+,10-/m1/s1","","2012-05-16","2012-05-25","[(1R,4R,5S,6R)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["A1AYE","6-(4-chloro-3-methylphenoxy)pyridin-3-amine","C12 H11 Cl N2 O","Cc1cc(ccc1Cl)Oc1ccc(N)cn1;Cc1cc(Oc2ccc(N)cn2)ccc1Cl;Cc1cc(ccc1Cl)Oc2ccc(cn2)N","InChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3","","2024-07-11","2025-03-21","6-(4-chloro-3-methylphenoxy)pyridin-3-amine","2025-03-26"],["GCI","N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide","C34 H38 N6 O9 S2","COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCN4CCOCC4)cc3)c5ccccc25;COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)NC(=O)CCN5CCOCC5","InChI=1S/C34H38N6O9S2/c1-48-25-8-12-27(13-9-25)51(46,47)40(23-33(36)42)31-15-14-30(28-4-2-3-5-29(28)31)39(22-32(35)41)50(44,45)26-10-6-24(7-11-26)37-34(43)16-17-38-18-20-49-21-19-38/h2-15H,16-23H2,1H3,(H2,35,41)(H2,36,42)(H,37,43)","","2022-05-06","2022-07-01","~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide","2022-07-06"],["XTG","4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE","C17 H23 N O11 S","[O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3;O[CH]1CO[CH](SC[CH]2O[CH](Oc3ccc(cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CSC3C(C(C(CO3)O)O)O)O)O)O","InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1","4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE","2005-11-17","2021-03-01","4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside",""],["GCK","PHOSPHORIC ACID 9-(2-GUANIDINOETHOXY-3-(2-DEOXY-BETA-D-ERYTHROPENTOFURANOSYL))-3H-PYRIMIDO-[5,4-B][1,4]-BENZOOXAZIN-2-ONE]-5'-ESTER","C18 H24 N6 O9 P","O=C3N=C2C(Oc1cccc(OCCNC(=[NH2+])N)c1N2)=CN3C4OC(C(O)C4)COP(=O)(O)O;NC(=[NH2+])NCCOc1cccc2OC3=CN([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)C(=O)N=C3Nc12;c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C18H23N6O9P/c19-17(20)21-4-5-30-10-2-1-3-11-15(10)22-16-12(32-11)7-24(18(26)23-16)14-6-9(25)13(33-14)8-31-34(27,28)29/h1-3,7,9,13-14,25H,4-6,8H2,(H4,19,20,21)(H,22,23,26)(H2,27,28,29)/p+1/t9-,13+,14+/m0/s1","","2001-12-07","2011-06-04","9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one",""],["XTH","1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE","C11 H17 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)CC2)COP(=O)(O)O;CC1=CN([CH]2CC[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c1-6-4-13(11(16)12-10(6)15)9-3-2-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1","2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL THYMINE","2006-06-20","2020-06-17","1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["GCL","1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6-METHYLHEPTANE","C14 H29 N O2","OC(CC(C)C)C(O)C(N)CC1CCCCC1;CC(C)C[CH](O)[CH](O)[CH](N)CC1CCCCC1;CC(C)CC(C(C(CC1CCCCC1)N)O)O","InChI=1/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1","","1999-07-08","2008-10-14","(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol",""],["A1AYQ","(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine","C8 H8 Cl N3","Clc1cccc2nnc(CC)n12;CCc1nnc2cccc(Cl)n12;CCc1nnc2n1c(ccc2)Cl","InChI=1S/C8H8ClN3/c1-2-7-10-11-8-5-3-4-6(9)12(7)8/h3-5H,2H2,1H3","","2024-07-11","2025-03-21","(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine","2025-03-26"],["GCM","GLYCYLMETHYLENE GROUP","C3 H7 N O","O=C(C)CN;CC(=O)CN;CC(=O)CN","InChI=1/C3H7NO/c1-3(5)2-4/h2,4H2,1H3","","1999-07-08","2009-01-07","1-aminopropan-2-one",""],["XTI","6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine","C13 H13 N7 S","Cn1cncc1C1=CN(CCS1)c1ncnc2[NH]cnc12;Cn1cncc1C2=CN(CCS2)c3ncnc4[nH]cnc34;Cn1cncc1C2=CN(CCS2)c3c4c([nH]cn4)ncn3","InChI=1S/C13H13N7S/c1-19-8-14-4-9(19)10-5-20(2-3-21-10)13-11-12(16-6-15-11)17-7-18-13/h4-8H,2-3H2,1H3,(H,15,16,17,18)","Aplithianine A","2022-12-07","2023-10-13","6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine","2023-10-18"],["GCN","2-amino-2,3-dideoxy-alpha-D-glucoyranose","C6 H13 N O4","OC1C(OC(O)C(N)C1)CO;N[CH]1C[CH](O)[CH](CO)O[CH]1O;C1C(C(OC(C1O)CO)O)N","InChI=1S/C6H13NO4/c7-3-1-4(9)5(2-8)11-6(3)10/h3-6,8-10H,1-2,7H2/t3-,4+,5-,6+/m1/s1","3-DEOXY-D-GLUCOSAMINE; 3-deoxy-alpha-D-glucosamine","1999-07-08","2020-07-17","2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranose",""],["XTJ","(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate","C21 H28 F N3 O5","C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2cccc(c2)F)=O)CCN3;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)NC(=O)OCc3cccc(F)c3;c1cc(cc(c1)F)COC(=O)NC(CC2CC2)C(=O)NC(CC3CCNC3=O)CO","InChI=1S/C21H28FN3O5/c22-16-3-1-2-14(8-16)12-30-21(29)25-18(9-13-4-5-13)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h1-3,8,13,15,17-18,26H,4-7,9-12H2,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1","","2021-01-12","2024-09-27","(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2021-07-07"],["A1AYU","2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one","C10 H7 F3 N2 O","FC(F)(F)C1=CC(=O)N(N1)c1ccccc1;FC(F)(F)C1=CC(=O)N(N1)c2ccccc2;c1ccc(cc1)N2C(=O)C=C(N2)C(F)(F)F","InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H","","2024-07-11","2025-03-21","2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one","2025-03-26"],["A1AYV","2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide","C7 H6 N2 O4 S","NS(=O)(=O)c1ccc2NC(=O)Oc2c1;N[S](=O)(=O)c1ccc2NC(=O)Oc2c1;c1cc2c(cc1S(=O)(=O)N)OC(=O)N2","InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)(H2,8,11,12)","","2024-07-11","2025-06-09","2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide","2025-03-26"],["XTK","4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile","C17 H23 N3 O2","Cc1ccc(OC[CH](O)CNC(C)(C)C)c2cc([nH]c12)C#N;Cc1ccc(c2c1[nH]c(c2)C#N)OCC(CNC(C)(C)C)O","InChI=1S/C17H23N3O2/c1-11-5-6-15(14-7-12(8-18)20-16(11)14)22-10-13(21)9-19-17(2,3)4/h5-7,13,19-21H,9-10H2,1-4H3/t13-/m0/s1","","2015-07-15","2015-09-25","4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methyl-1H-indole-2-carbonitrile","2015-09-30"],["GCO","D-gluconic acid","C6 H12 O7","O=C(O)C(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)O","InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1","GLUCONIC ACID","1999-07-08","2020-07-17","D-gluconic acid",""],["A1AYY","[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol","C10 H14 N2 O","OCc1cccc(n1)N1CCCC1;OCc1cccc(n1)N2CCCC2;c1cc(nc(c1)N2CCCC2)CO","InChI=1S/C10H14N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2","","2024-07-11","2025-03-21","[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol","2025-03-26"],["GCP","PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER","C11 H18 N5 O13 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-09-27","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine",""],["XTL","[(1S,4R,6R)-6-HYDROXY-4-(THYMIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE","C12 H17 N2 O7 P","O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(C=C2)COP(=O)(O)O)O","InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m0/s1","","2006-05-19","2011-06-04","[(1S,4R,6R)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XTM","N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C21 H30 F N3 O5","C2(=O)C(CC(NC(C(CC(C)C)NC(OCc1cccc(F)c1)=O)=O)CO)CCN2;CC(C)C[CH](NC(=O)OCc1cccc(F)c1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2cccc(c2)F","InChI=1S/C21H30FN3O5/c1-13(2)8-18(25-21(29)30-12-14-4-3-5-16(22)9-14)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h3-5,9,13,15,17-18,26H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1","","2021-01-13","2024-09-27","N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2022-12-07"],["A1AYZ","5-methyl-2-(trifluoromethyl)furan-3-carboxamide","C7 H6 F3 N O2","O=C(N)c1cc(C)oc1C(F)(F)F;Cc1oc(c(c1)C(N)=O)C(F)(F)F;Cc1cc(c(o1)C(F)(F)F)C(=O)N","InChI=1S/C7H6F3NO2/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H2,11,12)","","2024-07-11","2025-03-21","5-methyl-2-(trifluoromethyl)furan-3-carboxamide","2025-03-26"],["GCQ","GEMCITABINE DIPHOSPHATE","C9 H13 F2 N3 O10 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)(F)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)C2(F)F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)(F)F","InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1","((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN\nDIPHOSPHATE","2005-11-22","2020-06-17","2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate)",""],["GCR","GALLICHROME","C28 H44 Ga N9 O13","CC1=O|[Ga]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH](CCC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4)NC(=O)CNC(=O)[CH](CO)NC(=O)CNC6=O)O5;CC1=O[Ga]2345O=C(N(O2)CCCC6C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(=O)N6)CO)C","InChI=1S/C28H44N9O13.Ga/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20-,21-,22?;/m0./s1","","2000-02-16","2009-11-02","",""],["A1AZA","2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one","C21 H20 F2 N4 O2","Fc1cc(ccc1CC(=O)N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1;Fc1cnc2nc(oc2c1)N3CCN(CC3)C(=O)Cc4ccc(cc4F)C5CC5;c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4nc5c(o4)cc(cn5)F","InChI=1S/C21H20F2N4O2/c22-16-11-18-20(24-12-16)25-21(29-18)27-7-5-26(6-8-27)19(28)10-15-4-3-14(9-17(15)23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2","","2024-07-12","2025-07-11","2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one","2025-07-16"],["XTN","2-amino-1,5-dihydropteridine-4,6-dione","C6 H5 N5 O2","O=C1C=NC2=C(N1)C(=O)N=C(N)N2;NC1=NC(=O)C2=C(N1)N=CC(=O)N2;C1=NC2=C(C(=O)N=C(N2)N)NC1=O","InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)","Xanthopterin","2010-02-28","2020-06-17","2-amino-1,5-dihydropteridine-4,6-dione",""],["XTO","3-fluoro-4-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidine-4-sulfonyl]benzene-1-sulfonamide","C24 H26 F4 N6 O5 S2","NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)C1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCC(CC3)[S](=O)(=O)c4ccc(cc4F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)S(=O)(=O)c4ccc(cc4F)S(=O)(=O)N)C(F)(F)F","InChI=1S/C24H26F4N6O5S2/c1-15-30-32-34(31-15)14-17-12-18(24(26,27)28)4-2-16(17)3-7-23(35)33-10-8-19(9-11-33)40(36,37)22-6-5-20(13-21(22)25)41(29,38)39/h2,4-6,12-13,19H,3,7-11,14H2,1H3,(H2,29,38,39)","","2023-06-08","2024-12-13","3-fluoro-4-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidine-4-sulfonyl]benzene-1-sulfonamide","2024-12-18"],["GCS","2-amino-2-deoxy-beta-D-glucopyranose","C6 H13 N O5","OC1C(O)C(OC(O)C1N)CO;N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)O","InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1","beta-D-glucosamine; 2-amino-2-deoxy-beta-D-glucose; 2-amino-2-deoxy-D-glucose; 2-amino-2-deoxy-glucose; D-GLUCOSAMINE","2000-06-20","2024-09-27","2-amino-2-deoxy-beta-D-glucopyranose",""],["GCT","2,6-anhydro-3-deoxy-L-xylo-hexonic acid","C6 H10 O5","O=C(O)C1OCC(O)C(O)C1;O[CH]1CO[CH](C[CH]1O)C(O)=O;C1C(C(COC1C(=O)O)O)O","InChI=1S/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5-/m0/s1","4,5-DIHYDROXY-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID","2004-01-06","2020-07-17","2,6-anhydro-3-deoxy-L-xylo-hexonic acid",""],["A1AZD","tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate","C29 H32 F N5 O5 S","CC(C)(C)OC(=O)NCCOCCOc1ccccc1c1nnc(Nc2ccc(CC(N)=O)cc2F)c2ccsc12;CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F)c4ccsc24;CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N","InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)","","2024-07-16","2025-07-18","tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate","2025-07-23"],["XTP","benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","C21 H29 N3 O5","C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)NC(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)NC(CC2CC2)C(=O)NC(CC3CCNC3=O)CO","InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1","","2021-01-13","2024-09-27","benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2021-07-07"],["GCU","alpha-D-glucopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1","alpha-D-glucuronic acid; D-glucuronic acid; glucuronic acid","1999-07-08","2020-07-17","alpha-D-glucopyranuronic acid",""],["XTQ","2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one","C20 H23 N3 O","CC(C)C[CH](CN)N1C=Cc2c(cccc2c3cccnc3)C1=O;CC(C)CC(CN)N1C=Cc2c(cccc2C1=O)c3cccnc3","InChI=1S/C20H23N3O/c1-14(2)11-16(12-21)23-10-8-18-17(15-5-4-9-22-13-15)6-3-7-19(18)20(23)24/h3-10,13-14,16H,11-12,21H2,1-2H3","","2023-11-10","2024-11-15","2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one","2024-11-20"],["A1AZE","(4-{[5-chloro-4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone","C24 H25 Cl2 N5 O S","Clc1ccc(s1)c1nc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)ncc1Cl;Clc1sc(cc1)c2nc(Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5)ncc2Cl;c1cc(ccc1C(=O)N2CCC(CC2)N3CCCC3)Nc4ncc(c(n4)c5ccc(s5)Cl)Cl","InChI=1S/C24H25Cl2N5OS/c25-19-15-27-24(29-22(19)20-7-8-21(26)33-20)28-17-5-3-16(4-6-17)23(32)31-13-9-18(10-14-31)30-11-1-2-12-30/h3-8,15,18H,1-2,9-14H2,(H,27,28,29)","","2024-07-16","2024-07-19","(4-{[5-chloro-4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone","2024-07-24"],["XTR","[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate","C12 H17 N2 O7 P","O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(C=C2)COP(=O)(O)O)O","InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1","","2009-01-05","2011-06-04","[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["A1AZQ","N-(2-phenylethyl)glycine","C10 H13 N O2","O=C(O)CNCCc1ccccc1;OC(=O)CNCCc1ccccc1;c1ccc(cc1)CCNCC(=O)O","InChI=1S/C10H13NO2/c12-10(13)8-11-7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)","","2024-07-24","2025-04-11","N-(2-phenylethyl)glycine","2025-04-16"],["GCV","4-O-methyl-alpha-D-glucopyranuronic acid","C7 H12 O7","O=C(O)C1OC(O)C(O)C(O)C1OC;CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O;COC1C(C(C(OC1C(=O)O)O)O)O","InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1","4-O-METHYL-ALPHA-D-GLUCURONIC ACID; 4-O-methyl-D-glucuronic acid; 4-O-methyl-glucuronic acid","2001-11-06","2020-07-17","4-O-methyl-alpha-D-glucopyranuronic acid",""],["GCW","4-O-methyl-beta-D-glucopyranuronic acid","C7 H12 O7","O=C(O)C1OC(O)C(O)C(O)C1OC;CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O;COC1C(C(C(OC1C(=O)O)O)O)O","InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1","4-O-METHYL-BETA-D-GLUCURONIC ACID; 4-O-methyl-D-glucuronic acid; 4-O-methyl-glucuronic acid","2002-03-22","2020-07-17","4-O-methyl-beta-D-glucopyranuronic acid",""],["A1AZR","2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid","C37 H40 N4 O11 S2","O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCOC)cc1;CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CCC(=O)Nc3ccc(N[S](=O)(=O)c4ccc(CCOC)cc4)c(c3)C(O)=O)cc2C(O)=O;CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)NC(=O)CCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCOC","InChI=1S/C37H40N4O11S2/c1-3-4-5-24-6-12-28(13-7-24)53(48,49)40-32-16-10-26(22-30(32)36(44)45)38-34(42)18-19-35(43)39-27-11-17-33(31(23-27)37(46)47)41-54(50,51)29-14-8-25(9-15-29)20-21-52-2/h6-17,22-23,40-41H,3-5,18-21H2,1-2H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)","","2024-07-24","2024-08-30","2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid","2024-09-04"],["XTS","9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE","C10 H12 N4 O6","O=C3Nc1c(ncn1C2OC(C(O)C2O)CO)C(=O)N3;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O","InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1","XANTHOSINE; 9-BETA-D-RIBOFURANOSYLXANTHINE","2007-03-02","2020-05-26","xanthosine",""],["GCY","N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide","C48 H93 N O8","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1","beta-Galactosylceramide, Ceramide beta-D-galactoside","2011-08-25","2020-06-17","N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide",""],["A1AZU","4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide","C25 H35 N3 O2","CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1;CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)[CH]3CCNC3;CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)C3CCNC3","InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1","","2024-07-24","2025-04-18","4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide","2025-04-23"],["XTT","6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one","C13 H13 N7 O S","Cn1cncc1C1=CN(CCS1)c1ncnc2NC(=O)Nc12;Cn1cncc1C2=CN(CCS2)c3ncnc4NC(=O)Nc34;Cn1cncc1C2=CN(CCS2)c3c4c(ncn3)NC(=O)N4","InChI=1S/C13H13N7OS/c1-19-7-14-4-8(19)9-5-20(2-3-22-9)12-10-11(15-6-16-12)18-13(21)17-10/h4-7H,2-3H2,1H3,(H2,15,16,17,18,21)","Aplithianine B","2022-12-07","2023-10-13","6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one","2023-10-18"],["XTU","N'-(3-fluoro-4-{2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfonyl}benzene-1-sulfonyl)-N,N-dimethylmethanimidamide","C29 H35 F4 N7 O5 S2","CN(C)/C=N/S(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;CN(C)C=N[S](=O)(=O)c1ccc(c(F)c1)[S](=O)(=O)CCC2CCN(CC2)C(=O)CCc3ccc(cc3Cn4nnc(C)n4)C(F)(F)F;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)CCS(=O)(=O)c4ccc(cc4F)S(=O)(=O)N=CN(C)C)C(F)(F)F","InChI=1S/C29H35F4N7O5S2/c1-20-35-37-40(36-20)18-23-16-24(29(31,32)33)6-4-22(23)5-9-28(41)39-13-10-21(11-14-39)12-15-46(42,43)27-8-7-25(17-26(27)30)47(44,45)34-19-38(2)3/h4,6-8,16-17,19,21H,5,9-15,18H2,1-3H3/b34-19+","","2023-06-08","2024-12-13","N'-(3-fluoro-4-{2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfonyl}benzene-1-sulfonyl)-N,N-dimethylmethanimidamide","2024-12-18"],["A1AZV","(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name)","C47 H60 N6 O7","CC(=O)N(C)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC;CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[CH](C6CCCC6)N(C)C(C)=O)c1c7cccnc7[CH](C)OC;CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN(N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O)C(C7CCCC7)N(C)C(=O)C)(C)C","InChI=1S/C47H60N6O7/c1-8-52-40-18-17-32-25-36(40)37(43(52)35-15-11-19-48-41(35)28(2)59-7)26-47(4,5)27-60-46(58)38-16-12-20-53(50-38)45(57)39(23-30-21-33(32)24-34(55)22-30)49-44(56)42(51(6)29(3)54)31-13-9-10-14-31/h11,15,17-19,21-22,24-25,28,31,38-39,42,50,55H,8-10,12-14,16,20,23,26-27H2,1-7H3,(H,49,56)/t28-,38+,39?,42?/m1/s1","","2024-07-25","2025-07-18","(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name)","2025-07-23"],["GCZ","N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide","C15 H21 N3 O3 S","O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C;Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[CH]3CCC[CH]3C2;Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2","InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+","gliclazide","2015-04-30","2021-03-01","N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide","2015-11-25"],["XTV","2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile","C19 H16 N4 O2","Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4C#N;c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4","InChI=1S/C19H16N4O2/c20-10-15-3-1-2-4-18(15)25-19-8-5-13(9-17(19)24)11-23-12-16(21-22-23)14-6-7-14/h1-5,8-9,12,14,24H,6-7,11H2","","2017-01-12","2017-02-10","2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile","2017-02-15"],["GD","GADOLINIUM ATOM","Gd","[Gd];[Gd];[Gd]","InChI=1S/Gd","","1999-07-08","2011-06-04","gadolinium",""],["A1AZY","(2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name)","C54 H70 N8 O8","CC(N)C(=O)N1CCC2(C1)CCN(C2=O)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC;CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[CH](C6CCCC6)N7CC[C]8(CCN(C8)C(=O)[CH](C)N)C7=O)c1c9cccnc9[CH](C)OC;CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN(N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O)C(C7CCCC7)N8CCC9(C8=O)CCN(C9)C(=O)C(C)N)(C)C","InChI=1S/C54H70N8O8/c1-7-60-44-17-16-36-28-40(44)41(47(60)39-14-10-20-56-45(39)33(3)69-6)29-53(4,5)31-70-51(67)42-15-11-21-62(58-42)50(66)43(26-34-24-37(36)27-38(63)25-34)57-48(64)46(35-12-8-9-13-35)61-23-19-54(52(61)68)18-22-59(30-54)49(65)32(2)55/h10,14,16-17,20,24-25,27-28,32-33,35,42-43,46,58,63H,7-9,11-13,15,18-19,21-23,26,29-31,55H2,1-6H3,(H,57,64)/t32?,33?,42?,43?,46?,54-/m0/s1","","2024-07-25","2025-07-18","(2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name)","2025-07-23"],["A1AZZ","(2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name)","C63 H90 F3 N11 O7","CNC(CC1CC1)C(=O)N1CCC2(CCN(C2)C(C2CCCC2)C(=O)NC2CC3CN(CCO3)c3cc4c(CC(C)(C)COC(=O)C5CCCN(N5)C2=O)c(c2cc(cnc2C(C)OC)N2CCN(CC2)C2CC2)n(CC(F)(F)F)c4cc3)C1;CN[CH](CC1CC1)C(=O)N2CC[C]3(CCN(C3)[CH](C4CCCC4)C(=O)N[CH]5C[CH]6C[N](CCO6)c7ccc8n(CC(F)(F)F)c(c(CC(C)(C)COC(=O)[CH]9CCC[N](N9)C5=O)c8c7)c%10cc(cnc%10[CH](C)OC)N%11CCN(CC%11)C%12CC%12)C2;CC(c1c(cc(cn1)N2CCN(CC2)C3CC3)c4c5c6cc(ccc6n4CC(F)(F)F)N7CCOC(C7)CC(C(=O)N8CCCC(N8)C(=O)OCC(C5)(C)C)NC(=O)C(C9CCCC9)N1CCC2(C1)CCN(C2)C(=O)C(CC1CC1)NC)OC","InChI=1S/C63H90F3N11O7/c1-40(82-5)54-48(31-45(34-68-54)72-25-23-71(24-26-72)43-14-15-43)56-49-33-61(2,3)39-84-60(81)50-11-8-20-77(70-50)59(80)52(32-46-35-73(27-28-83-46)44-16-17-53(47(49)30-44)76(56)38-63(64,65)66)69-57(78)55(42-9-6-7-10-42)74-21-18-62(36-74)19-22-75(37-62)58(79)51(67-4)29-41-12-13-41/h16-17,30-31,34,40-43,46,50-52,55,67,70H,6-15,18-29,32-33,35-39H2,1-5H3,(H,69,78)/t40-,46?,50+,51?,52?,55?,62+/m1/s1","","2024-07-25","2025-07-18","(2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name)","2025-07-23"],["GD0","1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol","C16 H21 I N2 O2","CCOCc1nc(I)c(n1CC(C)(C)O)c2ccccc2;CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I","InChI=1S/C16H21IN2O2/c1-4-21-10-13-18-15(17)14(12-8-6-5-7-9-12)19(13)11-16(2,3)20/h5-9,20H,4,10-11H2,1-3H3","","2020-08-19","2021-06-18","1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol","2021-06-23"],["XTW","2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol","C18 H16 Cl N3 O2","Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4Cl;c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl","InChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2","","2017-01-12","2017-02-10","2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol","2017-02-15"],["GD1","2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C7 H7 N5 O","O=C1c2c(cnc2N=C(N)N1)C=[N@H];NC1=Nc2[nH]cc(C=N)c2C(=O)N1;c1c(c2c([nH]1)N=C(NC2=O)N)C=N","InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1-","7-cyano-7-deazaguanine, bound form","2012-05-25","2024-09-27","2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["XTX","tris($l^{3}-oxidanylidynemethyl)manganese","C3 Mn O3","[Mn].[C-]#[O+].[C-]#[O+].[C-]#[O+];C(#O)[Mn](C#O)C#O","InChI=1S/3CO.Mn/c3*1-2;","","2023-11-10","2025-11-11","tris($l^{3}-oxidanylidynemethyl)manganese","2024-07-31"],["GD2","(3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide","C20 H22 N6 O3","Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc3OCC(CC=C)n1c32)C(N)=O;CCn1nc(C)cc1C(=O)Nc2nc3cc(cc4OC[CH](CC=C)n2c34)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc4c3n2C(CO4)CC=C)C(=O)N","InChI=1S/C20H22N6O3/c1-4-6-13-10-29-16-9-12(18(21)27)8-14-17(16)26(13)20(22-14)23-19(28)15-7-11(3)24-25(15)5-2/h4,7-9,13H,1,5-6,10H2,2-3H3,(H2,21,27)(H,22,23,28)/t13-/m0/s1","","2021-12-20","2022-12-16","(3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide","2022-12-21"],["XTY","(1R)-1,4-ANHYDRO-2-DEOXY-1-(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-8-YL)-5-O-PHOSPHONO-D-ERYTHRO-PENTITOL","C14 H17 N2 O8 P","O=P(OCC3OC(c2cc(cc1C(=O)NC(=O)Nc12)C)CC3O)(O)O;Cc1cc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c3NC(=O)NC(=O)c3c1;Cc1cc(c2c(c1)C(=O)NC(=O)N2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C14H17N2O8P/c1-6-2-7(12-8(3-6)13(18)16-14(19)15-12)10-4-9(17)11(24-10)5-23-25(20,21)22/h2-3,9-11,17H,4-5H2,1H3,(H2,20,21,22)(H2,15,16,18,19)/t9-,10+,11+/m0/s1","","2006-09-26","2011-06-04","(1R)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-O-phosphono-D-erythro-pentitol",""],["XTZ","4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide","C16 H16 N8 O3 S2","O=S(=O)(Nc1nccs1)c4ccc(NCC3=NC2=C(N=C(N)NC2=O)NC3)cc4;NC1=NC2=C(N=C(CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4)CN2)C(=O)N1;c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4","InChI=1S/C16H16N8O3S2/c17-15-22-13-12(14(25)23-15)21-10(8-20-13)7-19-9-1-3-11(4-2-9)29(26,27)24-16-18-5-6-28-16/h1-6,19H,7-8H2,(H,18,24)(H4,17,20,22,23,25)","","2011-10-14","2012-03-09","4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide",""],["GD3","GADOLINIUM ION","Gd","[Gd+3];[Gd+3];[Gd+3]","InChI=1S/Gd/q+3","","2000-12-08","2011-06-04","gadolinium",""],["GD4","(5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione","C24 H27 N O5 S","C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3)CC4SC(NC4=O)=O)C;Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3ccc(C[CH]4SC(=O)NC4=O)cc3;Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C","InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24+/m0/s1","Troglitazone (isoform)","2018-05-18","2021-03-01","(5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione","2019-05-22"],["XU0","6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine","C13 H12 Br N7 S","Brc1ncn(C)c1C1=CN(CCS1)c1ncnc2nc[NH]c12;Cn1cnc(Br)c1C2=CN(CCS2)c3ncnc4nc[nH]c34;Cn1cnc(c1C2=CN(CCS2)c3c4c(nc[nH]4)ncn3)Br","InChI=1S/C13H12BrN7S/c1-20-7-19-11(14)10(20)8-4-21(2-3-22-8)13-9-12(16-5-15-9)17-6-18-13/h4-7H,2-3H2,1H3,(H,15,16,17,18)","","2022-12-07","2023-10-13","6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine","2023-10-18"],["GD5","5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine","C20 H21 Cl N8","Cc1n(ncc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C5CCNCC5;Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl","InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27)","","2016-03-02","2016-10-14","5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine","2016-10-19"],["XU1","benzo[c][1,8]naphthyridin-6(5H)-one","C12 H8 N2 O","O=C2c3c(c1c(nccc1)N2)cccc3;O=C1Nc2ncccc2c3ccccc13;c1ccc2c(c1)-c3cccnc3NC2=O","InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)","","2013-02-21","2013-05-17","benzo[c][1,8]naphthyridin-6(5H)-one","2013-05-22"],["A1B0K","5-{[2-(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide","C32 H32 Cl N5 O2","NC(=O)c1cc2nc(NCCOCCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1;NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCOCCNc3c4ccncc4c5ccc(cc5n3)C(=O)N","InChI=1S/C32H32ClN5O2/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-13-4-5-16-40-17-15-37-32-27-12-14-36-21-28(27)26-11-9-24(31(34)39)19-30(26)38-32/h1-3,6-12,14,18-19,21,35H,4-5,13,15-17,20H2,(H2,34,39)(H,37,38)","","2025-03-12","2026-01-09","5-{[2-(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide","2026-01-14"],["XU2","N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide","C25 H18 N4 O2","O=C(c1ccccc1)Nc2ccc(cc2)Nc5ccnc3c5c4c(C(=O)N3)cccc4;O=C(Nc1ccc(Nc2ccnc3NC(=O)c4ccccc4c23)cc1)c5ccccc5;c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4","InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)","","2013-02-21","2013-05-17","N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide","2013-05-22"],["A1B0N","2-(1H-pyrrol-1-yl)pyridin-3-amine","C9 H9 N3","Nc1cccnc1n1cccc1;Nc1cccnc1n2cccc2;c1ccn(c1)c2c(cccn2)N","InChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2","","2025-03-13","2025-03-28","2-(1H-pyrrol-1-yl)pyridin-3-amine","2025-04-02"],["GD7","(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE","C7 H17 O2 P","O=P(OC(C)C(C)(C)C)C;C[CH](O[PH](C)=O)C(C)(C)C;CC(C(C)(C)C)OP(=O)C","InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1","","2006-07-27","2024-09-27","(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate",""],["GD8","(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE","C7 H17 O2 P","O=P(OC(C)C(C)(C)C)C;C[CH](O[PH](C)=O)C(C)(C)C;CC(C(C)(C)C)OP(=O)C","InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1","","2009-04-15","2024-09-27","(1R)-1,2,2-trimethylpropyl (S)-methylphosphinate",""],["A1B0O","(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one","C12 H14 F N O2","CN1CCC(Oc2cccc(C)c2F)C1=O;CN1CC[CH](Oc2cccc(C)c2F)C1=O;Cc1cccc(c1F)OC2CCN(C2=O)C","InChI=1S/C12H14FNO2/c1-8-4-3-5-9(11(8)13)16-10-6-7-14(2)12(10)15/h3-5,10H,6-7H2,1-2H3","","2025-03-13","2025-03-28","(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one","2025-04-02"],["XU3","(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide","C23 H23 Cl2 N3 O4 S2","Clc1sc(cc1)C5(C(=O)N4C(C(=O)NC2(C=[N@H])CC2)CC(S(=O)(=O)c3ccccc3Cl)C4)CC5;Clc1sc(cc1)C2(CC2)C(=O)N3C[CH](C[CH]3C(=O)NC4(CC4)C=N)[S](=O)(=O)c5ccccc5Cl;[H]N=CC1(CC1)NC(=O)C2CC(CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl","InChI=1S/C23H23Cl2N3O4S2/c24-15-3-1-2-4-17(15)34(31,32)14-11-16(20(29)27-22(13-26)7-8-22)28(12-14)21(30)23(9-10-23)18-5-6-19(25)33-18/h1-6,13-14,16,26H,7-12H2,(H,27,29)/b26-13+/t14-,16+/m1/s1","","2010-10-15","2024-09-27","(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide",""],["GD9","2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine","C23 H27 N7 O3 S2","O=S(=O)(N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6)C;C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc6[nH]ncc56;CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6","InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)","","2008-06-03","2011-06-04","2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine",""],["A1B0P","[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone","C12 H22 N2 O3 S","O=S(C)(=O)N1CCCC(C(=O)N2CCCC2)C1C;C[CH]1[CH](CCCN1[S](C)(=O)=O)C(=O)N2CCCC2;CC1C(CCCN1S(=O)(=O)C)C(=O)N2CCCC2","InChI=1S/C12H22N2O3S/c1-10-11(12(15)13-7-3-4-8-13)6-5-9-14(10)18(2,16)17/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1","","2025-03-16","2025-03-28","[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone","2025-04-02"],["XU4","N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide","C22 H33 N3 O5","C2(C(CC(CO)NC(C(CC(C)C)NC(OC(C)c1ccccc1)=O)=O)CCN2)=O;CC(C)C[CH](NC(=O)O[CH](C)c1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OC(C)c2ccccc2","InChI=1S/C22H33N3O5/c1-14(2)11-19(25-22(29)30-15(3)16-7-5-4-6-8-16)21(28)24-18(13-26)12-17-9-10-23-20(17)27/h4-8,14-15,17-19,26H,9-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-,19-/m0/s1","","2021-01-13","2021-07-02","N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide","2021-07-07"],["GDA","4-amino-4-deoxy-beta-D-glucopyranose","C6 H13 N O5","N[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO;C(C1C(C(C(C(O1)O)O)O)N)O","InChI=1S/C6H13NO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1","4-amino-4-deoxy-beta-D-glucose; 4-amino-4-deoxy-D-glucose; 4-amino-4-deoxy-glucose","2003-02-07","2020-07-17","(2~{R},3~{R},4~{S},5~{S},6~{S})-5-azanyl-6-(hydroxymethyl)oxane-2,3,4-triol",""],["XU5","(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide","C26 H28 Cl N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(cc3)C)CC4)C5;Cc1ccc(cc1)C2(CC2)C(=O)N3C[CH](C[CH]3C(=O)NC4(CC4)C=N)[S](=O)(=O)c5ccccc5Cl;[H]N=CC1(CC1)NC(=O)C2CC(CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl","InChI=1S/C26H28ClN3O4S/c1-17-6-8-18(9-7-17)26(12-13-26)24(32)30-15-19(35(33,34)22-5-3-2-4-20(22)27)14-21(30)23(31)29-25(16-28)10-11-25/h2-9,16,19,21,28H,10-15H2,1H3,(H,29,31)/b28-16+/t19-,21+/m1/s1","","2010-10-15","2024-09-27","(4R)-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(4-methylphenyl)cyclopropyl]carbonyl}-L-prolinamide",""],["A1B0X","N-{(1P)-5'-({(26E)-27-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-25-oxo-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-26-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carboxamide","C66 H75 Cl2 F6 N9 O13","Fc1ccc(cc1Cl)C(CC(N)=O)NC(=O)c1c[NH]c(/C=C/C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2cc(c(F)cc2)c2ccc(N3CC(C)N(C)C(C)C3)c(NC(=O)C=3C=NC(=O)CC=3C(F)(F)F)c2)c1c1ccc(Cl)cc1F;C[CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)C3=C(CC(=O)N=C3)C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5[nH]cc(C(=O)N[CH](CC(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F;CC1CN(CC(N1C)C)c2ccc(cc2NC(=O)C3=C(CC(=O)N=C3)C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5c(c(c[nH]5)C(=O)NC(CC(=O)N)c6ccc(c(c6)Cl)F)c7ccc(cc7F)Cl","InChI=1S/C66H75Cl2F6N9O13/c1-40-38-83(39-41(2)82(40)3)58-12-6-42(32-57(58)81-64(88)48-36-79-61(86)34-50(48)66(72,73)74)47-30-44(5-9-52(47)69)63(87)77-15-17-91-19-21-93-23-25-95-27-29-96-28-26-94-24-22-92-20-18-90-16-14-76-60(85)13-11-55-62(46-8-7-45(67)33-54(46)71)49(37-78-55)65(89)80-56(35-59(75)84)43-4-10-53(70)51(68)31-43/h4-13,30-33,36-37,40-41,56,78H,14-29,34-35,38-39H2,1-3H3,(H2,75,84)(H,76,85)(H,77,87)(H,80,89)(H,81,88)/b13-11+/t40-,41+,56-/m0/s1","","2025-03-18","2026-03-20","N-{(1P)-5'-({(26E)-27-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-25-oxo-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-26-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carboxamide","2026-03-25"],["XU6","(3-chloro-5-cyanophenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C22 H19 Cl N6 O3","N#Cc1cc(cc(Cl)c1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;Clc1cc(COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc(c1)C#N;c1cc2c(cc1C(=O)N3CC4CN(CC4C3)C(=O)OCc5cc(cc(c5)Cl)C#N)nn[nH]2","InChI=1S/C22H19ClN6O3/c23-18-4-13(7-24)3-14(5-18)12-32-22(31)29-10-16-8-28(9-17(16)11-29)21(30)15-1-2-19-20(6-15)26-27-25-19/h1-6,16-17H,8-12H2,(H,25,26,27)","","2023-06-08","2024-12-13","(3-chloro-5-cyanophenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["GDB","1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE","C16 H19 N5 O10 S","O=C(O)C(N)CCC(=O)NC(CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(=O)O;N[CH](CCC(=O)N[CH](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1","","1999-07-08","2026-04-05","L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine",""],["GDC","GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE","C16 H25 N5 O16 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1","","2006-07-25","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["A1B1A","(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide","C15 H21 N3 O2","O=C(NCc1cccc(C)c1)N1CCCC(C1)C(N)=O;Cc1cccc(CNC(=O)N2CCC[CH](C2)C(N)=O)c1;Cc1cccc(c1)CNC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)18-7-3-6-13(10-18)14(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)(H,17,20)/t13-/m0/s1","","2025-03-19","2025-03-28","(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide","2025-04-02"],["XU7","(2S)-2-amino-4-boronobutanoic acid","C4 H10 B N O4","B(O)(CCC(C(O)=O)N)O;N[CH](CCB(O)O)C(O)=O;B(CCC(C(=O)O)N)(O)O","InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1","","2021-01-13","2024-09-27","(2S)-2-amino-4-boronobutanoic acid","2022-02-23"],["XU8","{4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid","C18 H24 N4 O3 S","OC(=O)Cn1cc(CNC(=O)CSCc2ccc(cc2)C(C)(C)C)nn1;CC(C)(C)c1ccc(CSCC(=O)NCc2cn(CC(O)=O)nn2)cc1;CC(C)(C)c1ccc(cc1)CSCC(=O)NCc2cn(nn2)CC(=O)O","InChI=1S/C18H24N4O3S/c1-18(2,3)14-6-4-13(5-7-14)11-26-12-16(23)19-8-15-9-22(21-20-15)10-17(24)25/h4-7,9H,8,10-12H2,1-3H3,(H,19,23)(H,24,25)","","2023-11-10","2024-07-05","{4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid","2024-07-10"],["A1B1B","(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide","C15 H19 Cl N2 O3","O=C(Cc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O;COc1cccc(Cl)c1CC(=O)N2CCC[CH](C2)C(N)=O;COc1cccc(c1CC(=O)N2CCCC(C2)C(=O)N)Cl","InChI=1S/C15H19ClN2O3/c1-21-13-6-2-5-12(16)11(13)8-14(19)18-7-3-4-10(9-18)15(17)20/h2,5-6,10H,3-4,7-9H2,1H3,(H2,17,20)/t10-/m0/s1","","2025-03-19","2025-03-28","(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide","2025-04-02"],["GDD","GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE","C16 H25 N5 O16 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1","","2005-10-26","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["GDE","3,4,5-trihydroxybenzoic acid","C7 H6 O5","O=C(O)c1cc(O)c(O)c(O)c1;OC(=O)c1cc(O)c(O)c(O)c1;c1c(cc(c(c1O)O)O)C(=O)O","InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)","Gallate","2011-11-08","2020-06-17","3,4,5-trihydroxybenzoic acid","2013-05-22"],["XU9","ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate","C15 H14 N2 O2","O=C(OCC)c1cnn2cccc(C#CC3CC3)c12;CCOC(=O)c1cnn2cccc(C#CC3CC3)c12;CCOC(=O)c1cnn2c1c(ccc2)C#CC3CC3","InChI=1S/C15H14N2O2/c1-2-19-15(18)13-10-16-17-9-3-4-12(14(13)17)8-7-11-5-6-11/h3-4,9-11H,2,5-6H2,1H3","","2022-12-12","2023-04-21","ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate","2023-04-26"],["A1B1E","(3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide","C14 H19 N3 O3","O=C(C(OC)c1cccnc1)N1CCCC(C1)C(N)=O;CO[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2cccnc2;COC(c1cccnc1)C(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H19N3O3/c1-20-12(10-4-2-6-16-8-10)14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11-12H,3,5,7,9H2,1H3,(H2,15,18)/t11-,12-/m0/s1","","2025-03-19","2025-03-28","(3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide","2025-04-02"],["XUA","2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)","C11 H16 N5 O6 P Se","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C([Se]C)C3O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3c(N)ncnc23;C[Se]C1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O","InChI=1S/C11H16N5O6PSe/c1-24-8-7(17)5(2-21-23(18,19)20)22-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1","","2009-07-27","2011-06-04","2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)",""],["GDF","Vinorelbine","C45 H54 N4 O8","CCC1=C[CH]2C[N](C1)Cc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC;CCC1=CC2CC(c3c(c4ccccc4[nH]3)CN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC","InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38-,39+,42+,43+,44-,45-/m0/s1","","2020-08-19","2021-07-30","","2021-08-04"],["XUB","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone","C26 H22 Cl N5 O2","Clc1ccc(cc1)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;Clc1ccc(cc1)c2ccc(cc2)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc6[nH]nnc6c5;c1cc(ccc1c2ccc(cc2)Cl)C(=O)N3CC4CN(CC4C3)C(=O)c5ccc6c(c5)nn[nH]6","InChI=1S/C26H22ClN5O2/c27-22-8-5-17(6-9-22)16-1-3-18(4-2-16)25(33)31-12-20-14-32(15-21(20)13-31)26(34)19-7-10-23-24(11-19)29-30-28-23/h1-11,20-21H,12-15H2,(H,28,29,30)","","2023-06-08","2024-12-13","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone","2024-12-18"],["GDG","GDP-ALPHA-D-GLUCOSE","C16 H25 N5 O16 P2","C1(C(O)C(C(C(O1)CO)O)O)OP(OP(OCC4C(C(C(n2cnc3c2NC(=NC3=O)N)O4)O)O)(O)=O)(O)=O;NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)NC(=NC2=O)N","InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1","GDP-ALPHA-D-GLUCOSE","2006-09-05","2020-06-17","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2017-06-21"],["A1B1O","(1R)-1-(1-methyl-1H-indazol-3-yl)-N-[2-(1,3-oxazol-4-yl)ethyl]prop-2-yn-1-amine","C16 H16 N4 O","Cn1nc(C(NCCc2cocn2)C#C)c2ccccc21;Cn1nc([CH](NCCc2cocn2)C#C)c3ccccc13;Cn1c2ccccc2c(n1)C(C#C)NCCc3cocn3","InChI=1S/C16H16N4O/c1-3-14(17-9-8-12-10-21-11-18-12)16-13-6-4-5-7-15(13)20(2)19-16/h1,4-7,10-11,14,17H,8-9H2,2H3","","2025-03-19","2025-03-28","(1R)-1-(1-methyl-1H-indazol-3-yl)-N-[2-(1,3-oxazol-4-yl)ethyl]prop-2-yn-1-amine","2025-04-02"],["XUC","2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine","C21 H26 Cl N3","Clc1ccc(C[CH]2CCCN2C3CCN(CC3)c4ccccn4)cc1;c1ccnc(c1)N2CCC(CC2)N3CCCC3Cc4ccc(cc4)Cl","InChI=1S/C21H26ClN3/c22-18-8-6-17(7-9-18)16-20-4-3-13-25(20)19-10-14-24(15-11-19)21-5-1-2-12-23-21/h1-2,5-9,12,19-20H,3-4,10-11,13-16H2/t20-/m1/s1","","2023-11-13","2024-03-08","2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine","2024-03-13"],["GDH","7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{H}-3-benzazepine","C24 H26 N2 O2","COc1cccc(OCc2cc(C)ccn2)c1c3ccc4CCNCCc4c3;Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC","InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3","","2018-09-12","2018-10-05","7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{H}-3-benzazepine","2018-10-10"],["GDI","(2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE","C22 H24 N4 O","O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCCC3;N=C[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3CCCCN3;c1cc(ccc1CC(C=N)NC(=O)C2CCCCN2)c3ccc(cc3)C#N","InChI=1S/C22H24N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,15,20-21,24-25H,1-3,12-13H2,(H,26,27)/b24-15+/t20-,21-/m0/s1","","2013-10-31","2024-09-27","(2S)-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]piperidine-2-carboxamide","2014-03-19"],["XUE","N-[(3-chloro-4-cyanophenyl)methyl]-2-{7-[1-(methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl}-N-methylacetamide","C28 H31 Cl N4 O4","O=C(COC)N1CCC(CC1)c1ccc2CCN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1;COCC(=O)N1CCC(CC1)c2ccc3CCN(CC(=O)N(C)Cc4ccc(C#N)c(Cl)c4)C(=O)c3c2;CN(Cc1ccc(c(c1)Cl)C#N)C(=O)CN2CCc3ccc(cc3C2=O)C4CCN(CC4)C(=O)COC","InChI=1S/C28H31ClN4O4/c1-31(16-19-3-4-23(15-30)25(29)13-19)26(34)17-33-12-9-21-5-6-22(14-24(21)28(33)36)20-7-10-32(11-8-20)27(35)18-37-2/h3-6,13-14,20H,7-12,16-18H2,1-2H3","","2023-06-08","2024-12-13","N-[(3-chloro-4-cyanophenyl)methyl]-2-{7-[1-(methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl}-N-methylacetamide","2024-12-18"],["XUF","~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine","C19 H26 Br N3 O S","COCCN(CCc1ccc(Br)cc1)C2CCN(CC2)c3sccn3;COCCN(CCc1ccc(cc1)Br)C2CCN(CC2)c3nccs3","InChI=1S/C19H26BrN3OS/c1-24-14-13-22(10-6-16-2-4-17(20)5-3-16)18-7-11-23(12-8-18)19-21-9-15-25-19/h2-5,9,15,18H,6-8,10-14H2,1H3","","2023-11-13","2024-03-08","~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine","2024-03-13"],["A1B1V","(R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide","C20 H18 F N3 O2 S","O=S(C)(=N)c1ccc(cc1)C(=O)Nc1cc(ccc1N)c1ccc(F)cc1;C[S](=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(F)cc3;CS(=N)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccc(cc3)F","InChI=1S/C20H18FN3O2S/c1-27(23,26)17-9-4-14(5-10-17)20(25)24-19-12-15(6-11-18(19)22)13-2-7-16(21)8-3-13/h2-12,23H,22H2,1H3,(H,24,25)/t27-/m1/s1","","2025-03-20","2025-09-12","N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-4-[(R)-S-methanesulfonimidoyl]benzamide","2025-09-17"],["GDJ","N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide","C35 H41 N7 O8 S2","CCN1CCN(CC1)CC(=O)Nc2ccc(cc2)[S](=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)=O)[S](=O)(=O)c4ccc(OC)cc4)c5ccccc35;CCN1CCN(CC1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N(CC(=O)N)c3ccc(c4c3cccc4)N(CC(=O)N)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C35H41N7O8S2/c1-3-39-18-20-40(21-19-39)24-35(45)38-25-8-12-27(13-9-25)51(46,47)41(22-33(36)43)31-16-17-32(30-7-5-4-6-29(30)31)42(23-34(37)44)52(48,49)28-14-10-26(50-2)11-15-28/h4-17H,3,18-24H2,1-2H3,(H2,36,43)(H2,37,44)(H,38,45)","","2022-05-06","2022-07-01","~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide","2022-07-06"],["GDK","2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine","C18 H16 N2 O","Cc1ccc(cc1)c2ncccc2OCc3ccccn3;Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3","InChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3","","2018-09-12","2018-10-05","2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine","2018-10-10"],["XUG","2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)","C11 H16 N5 O7 P Se","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;C[Se]C1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O","InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1","(D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE","2006-05-18","2021-03-01","2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)",""],["A1B1Y","(3S)-1-[1-(1H-pyrazol-1-yl)cyclopentane-1-carbonyl]piperidine-3-carboxamide","C15 H22 N4 O2","NC(=O)C1CCCN(C1)C(=O)C1(CCCC1)n1cccn1;NC(=O)[CH]1CCCN(C1)C(=O)C2(CCCC2)n3cccn3;c1cnn(c1)C2(CCCC2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H22N4O2/c16-13(20)12-5-3-9-18(11-12)14(21)15(6-1-2-7-15)19-10-4-8-17-19/h4,8,10,12H,1-3,5-7,9,11H2,(H2,16,20)/t12-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[1-(1H-pyrazol-1-yl)cyclopentane-1-carbonyl]piperidine-3-carboxamide","2025-04-02"],["XUH","(2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol","C20 H24 N2 O","OC(CNC1CCCC1)Cn1c2ccccc2c2ccccc21;O[CH](CNC1CCCC1)Cn2c3ccccc3c4ccccc24;c1ccc2c(c1)c3ccccc3n2CC(CNC4CCCC4)O","InChI=1S/C20H24N2O/c23-16(13-21-15-7-1-2-8-15)14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2/t16-/m1/s1","","2022-12-12","2023-12-15","(2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol","2023-12-20"],["GDL","2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone","C8 H13 N O6","O=C1OC(CO)C(O)C(O)C1NC(=O)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O;CC(=O)NC1C(C(C(OC1=O)CO)O)O","InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1","2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE","2002-10-29","2020-07-17","N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)",""],["A1B1Z","(3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide","C12 H16 N4 O2 S","NC(=O)C1CCCN(C1)C(=O)C1CCc2snnc21;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3snnc23;C1CC(CN(C1)C(=O)C2CCc3c2nns3)C(=O)N","InChI=1S/C12H16N4O2S/c13-11(17)7-2-1-5-16(6-7)12(18)8-3-4-9-10(8)14-15-19-9/h7-8H,1-6H2,(H2,13,17)/t7-,8+/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide","2025-04-02"],["XUI","2-{6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl}-N-[(3,4-dichlorophenyl)methyl]acetamide","C27 H29 Cl2 N5 O3","O=C(C1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1;Clc1ccc(CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)C5CCCC5)cc1Cl;c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)C5CCCC5)Cl)Cl","InChI=1S/C27H29Cl2N5O3/c28-22-7-5-18(13-23(22)29)15-30-25(35)16-34-17-31-24-8-6-20(14-21(24)27(34)37)32-9-11-33(12-10-32)26(36)19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,35)","","2023-06-08","2024-12-13","2-{6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl}-N-[(3,4-dichlorophenyl)methyl]acetamide","2024-12-18"],["GDM","GELDANAMYCIN","C29 H40 N2 O9","O=C1C(OC)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(OC)C(=O)C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1","","1999-07-08","2011-06-04","(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate",""],["GDN","GLUTATHIONE S-(2,4 DINITROBENZENE)","C16 H19 N5 O10 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O;N[CH](CCC(=O)N[CH](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine",""],["A1B2A","(3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name)","C16 H21 N3 O2","O=C(C1Cc2ccccc2N1C)N1CCCC(C1)C(N)=O;CN1[CH](Cc2ccccc12)C(=O)N3CCC[CH](C3)C(N)=O;CN1c2ccccc2CC1C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C16H21N3O2/c1-18-13-7-3-2-5-11(13)9-14(18)16(21)19-8-4-6-12(10-19)15(17)20/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H2,17,20)/t12-,14+/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name)","2025-04-02"],["XUJ","(2R)-2-amino-4-boronobutanoic acid","C4 H10 B N O4","B(O)(CCC(C(O)=O)N)O;N[CH](CCB(O)O)C(O)=O;B(CCC(C(=O)O)N)(O)O","InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1","","2021-01-13","2024-09-27","(2R)-2-amino-4-boronobutanoic acid","2022-02-23"],["GDO","3'-deoxy-guanosine 5'-monophosphate","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)C[CH]3O;c1nc2c(n1C3C(CC(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1","","2012-04-11","2012-04-13","3'-deoxy-5'-guanylic acid",""],["XUK","3-bromanylimidazo[1,2-a]pyridin-6-amine","C7 H6 Br N3","Nc1ccc2ncc(Br)n2c1;c1cc2ncc(n2cc1N)Br","InChI=1S/C7H6BrN3/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H,9H2","","2023-11-14","2024-05-17","3-bromanylimidazo[1,2-a]pyridin-6-amine","2024-05-22"],["A1B2D","(3S)-1-[(4R)-2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carbonyl]piperidine-3-carboxamide","C15 H22 N4 O2","NC(=O)C1CCCN(C1)C(=O)C1CCCc2nn(C)cc12;Cn1cc2[CH](CCCc2n1)C(=O)N3CCC[CH](C3)C(N)=O;Cn1cc2c(n1)CCCC2C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H22N4O2/c1-18-9-12-11(5-2-6-13(12)17-18)15(21)19-7-3-4-10(8-19)14(16)20/h9-11H,2-8H2,1H3,(H2,16,20)/t10-,11+/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(4R)-2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carbonyl]piperidine-3-carboxamide","2025-04-02"],["XUL","D-XYLULOSE","C5 H10 O5","O=C(CO)C(O)C(O)CO;OC[CH](O)[CH](O)C(=O)CO;C(C(C(C(=O)CO)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1","","1999-07-08","2011-06-04","D-xylulose",""],["GDP","GUANOSINE-5'-DIPHOSPHATE","C10 H15 N5 O11 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2024-09-27","guanosine 5'-(trihydrogen diphosphate)",""],["A1B2E","(3S)-1-[(1,2-benzoxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide","C14 H15 N3 O3","NC(=O)C1CCC(=O)N(C1)Cc1noc2ccccc21;NC(=O)[CH]1CCC(=O)N(C1)Cc2noc3ccccc23;c1ccc2c(c1)c(no2)CN3CC(CCC3=O)C(=O)N","InChI=1S/C14H15N3O3/c15-14(19)9-5-6-13(18)17(7-9)8-11-10-3-1-2-4-12(10)20-16-11/h1-4,9H,5-8H2,(H2,15,19)/t9-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(1,2-benzoxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide","2025-04-02"],["GDQ","(1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol","C7 H13 N O3","OC[CH]1C[CH]2N[CH]2[CH](O)[CH]1O;C1C(C(C(C2C1N2)O)O)CO","InChI=1S/C7H13NO3/c9-2-3-1-4-5(8-4)7(11)6(3)10/h3-11H,1-2H2/t3-,4+,5+,6-,7-/m1/s1","","2018-09-12","2018-09-21","(1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol","2018-09-26"],["XUM","diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C33 H47 N2 O13 P S","C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)OCO5)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc5OCOc5c4)cc1)OCC;CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)OC4COC5C4CCO5)OCC","InChI=1S/C33H47N2O13PS/c1-5-46-49(38,47-6-2)21-45-24-9-7-23(8-10-24)15-27(34-33(37)48-31-19-42-32-26(31)13-14-41-32)28(36)18-35(17-22(3)4)50(39,40)25-11-12-29-30(16-25)44-20-43-29/h7-12,16,22,26-28,31-32,36H,5-6,13-15,17-21H2,1-4H3,(H,34,37)/t26-,27-,28+,31-,32+/m0/s1","","2021-01-14","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["GDR","GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE","C16 H25 N5 O15 P2","O=P(OC1OC(C(O)C(O)C1O)C)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O","InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1","","2002-11-21","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["A1B2R","(3S)-1-{[2-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide","C14 H18 N2 O2 S","NC(=O)C1CCC(=O)N(Cc2ccccc2SC)C1;CSc1ccccc1CN2C[CH](CCC2=O)C(N)=O;CSc1ccccc1CN2CC(CCC2=O)C(=O)N","InChI=1S/C14H18N2O2S/c1-19-12-5-3-2-4-10(12)8-16-9-11(14(15)18)6-7-13(16)17/h2-5,11H,6-9H2,1H3,(H2,15,18)/t11-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-{[2-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide","2025-04-02"],["XUN","(2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol","C20 H30 N2 O","CC1CCCCC1NCC(O)Cn1c2ccccc2c(C)c1C;C[CH]1CCCC[CH]1NC[CH](O)Cn2c(C)c(C)c3ccccc23;Cc1c(n(c2c1cccc2)CC(CNC3CCCCC3C)O)C","InChI=1S/C20H30N2O/c1-14-8-4-6-10-19(14)21-12-17(23)13-22-16(3)15(2)18-9-5-7-11-20(18)22/h5,7,9,11,14,17,19,21,23H,4,6,8,10,12-13H2,1-3H3/t14-,17-,19-/m0/s1","","2022-12-12","2023-12-15","(2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol","2023-12-20"],["XUO","(1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone","C26 H29 Cl N6 O2","CC(C)(C)c1cc(Cl)c(C)cc1COc1n[NH]c2CCN(CCc12)C(=O)c1ccc2[NH]nnc2c1;Cc1cc(COc2n[nH]c3CCN(CCc23)C(=O)c4ccc5[nH]nnc5c4)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)COc2c3c([nH]n2)CCN(CC3)C(=O)c4ccc5c(c4)nn[nH]5","InChI=1S/C26H29ClN6O2/c1-15-11-17(19(13-20(15)27)26(2,3)4)14-35-24-18-7-9-33(10-8-21(18)28-31-24)25(34)16-5-6-22-23(12-16)30-32-29-22/h5-6,11-13H,7-10,14H2,1-4H3,(H,28,31)(H,29,30,32)","","2023-06-08","2024-12-13","(1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone","2024-12-18"],["GDS","OXIDIZED GLUTATHIONE DISULFIDE","C20 H32 N6 O12 S2","O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1","","1999-07-08","2024-09-27","(2S,2'S)-5,5'-[disulfanediylbis({(2R)-3-[(carboxymethyl)amino]-3-oxopropane-1,2-diyl}imino)]bis(2-amino-5-oxopentanoic acid) (non-preferred name)",""],["A1B2U","(3S)-1-(thiane-4-carbonyl)piperidine-3-carboxamide","C12 H20 N2 O2 S","O=C(N1CCCC(C1)C(N)=O)C1CCSCC1;NC(=O)[CH]1CCCN(C1)C(=O)C2CCSCC2;C1CC(CN(C1)C(=O)C2CCSCC2)C(=O)N","InChI=1S/C12H20N2O2S/c13-11(15)10-2-1-5-14(8-10)12(16)9-3-6-17-7-4-9/h9-10H,1-8H2,(H2,13,15)/t10-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-(thiane-4-carbonyl)piperidine-3-carboxamide","2025-04-02"],["GDT","(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox\nobutan-2-yl]dodeca-2,4-dienamide","C27 H44 N4 O6","O=C(C=CC=CCCCCCCC)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC(O)C1)C)C(O)C;CCCCCCCC=CC=CC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)C=C[CH](C)NC1=O;CCCCCCCC=CC=CC(=O)NC(C(C)O)C(=O)NC1CC(CCNC(=O)C=CC(NC1=O)C)O","InChI=1S/C27H44N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h10-15,19-22,25,32-33H,4-9,16-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b11-10+,13-12+,15-14+/t19-,20+,21-,22-,25-/m0/s1","Glidobactin A","2007-11-20","2024-09-27","(2E,4E)-N-[(1S,2R)-2-hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]dodeca-2,4-dienamide",""],["A1B2V","(3S)-1-[(thietan-3-yl)acetyl]piperidine-3-carboxamide","C11 H18 N2 O2 S","O=C(CC1CSC1)N1CC(CCC1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)CC2CSC2;C1CC(CN(C1)C(=O)CC2CSC2)C(=O)N","InChI=1S/C11H18N2O2S/c12-11(15)9-2-1-3-13(5-9)10(14)4-8-6-16-7-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(thietan-3-yl)acetyl]piperidine-3-carboxamide","2025-04-02"],["XUP","diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C33 H46 N3 O11 P S2","C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)ncs5)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc5ncsc5c4)cc1)OCC;CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)OC4COC5C4CCO5)OCC","InChI=1S/C33H46N3O11PS2/c1-5-45-48(39,46-6-2)21-44-24-9-7-23(8-10-24)15-28(35-33(38)47-30-19-43-32-26(30)13-14-42-32)29(37)18-36(17-22(3)4)50(40,41)25-11-12-27-31(16-25)49-20-34-27/h7-12,16,20,22,26,28-30,32,37H,5-6,13-15,17-19,21H2,1-4H3,(H,35,38)/t26-,28-,29+,30-,32+/m0/s1","","2021-01-14","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["XUQ","(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol","C10 H20 O","CC(C)C1CCC(C)CC1O;CC(C)[CH]1CC[CH](C)C[CH]1O;CC1CCC(C(C1)O)C(C)C","InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1","L-menthol","2023-11-13","2024-10-25","(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol","2024-10-30"],["GDU","GALACTOSE-URIDINE-5'-DIPHOSPHATE","C15 H24 N2 O17 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1","UDP-D-GALACTOPYRANOSE","1999-07-08","2021-03-01","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["A1B2Y","(3S)-1-{[3-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide","C14 H18 N2 O2 S","NC(=O)C1CCC(=O)N(Cc2cc(SC)ccc2)C1;CSc1cccc(CN2C[CH](CCC2=O)C(N)=O)c1;CSc1cccc(c1)CN2CC(CCC2=O)C(=O)N","InChI=1S/C14H18N2O2S/c1-19-12-4-2-3-10(7-12)8-16-9-11(14(15)18)5-6-13(16)17/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,18)/t11-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-{[3-(methylsulfanyl)phenyl]methyl}-6-oxopiperidine-3-carboxamide","2025-04-02"],["GDV","(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE","C17 H21 N4 O5","O=C(c1c[n+]2c(n1)C(NC(=O)C)C(O)C(O)C2CO)Nc3ccccc3;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)[n+]2cc([nH]c12)C(=O)Nc3ccccc3;CC(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO)C(=O)Nc3ccccc3","InChI=1S/C17H20N4O5/c1-9(23)18-13-15(25)14(24)12(8-22)21-7-11(20-16(13)21)17(26)19-10-5-3-2-4-6-10/h2-7,12-15,22,24-25H,8H2,1H3,(H2,18,19,23,26)/p+1/t12-,13-,14-,15-/m1/s1","","2006-10-19","2011-06-04","(5R,6R,7R,8S)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-2-(phenylcarbamoyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["A1B2Z","(3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide","C15 H21 N3 O2 S","O=C(N(C)c1ccccc1SC)N1CCCC(C1)C(N)=O;CSc1ccccc1N(C)C(=O)N2CCC[CH](C2)C(N)=O;CN(c1ccccc1SC)C(=O)N2CCCC(C2)C(=O)N","InChI=1S/C15H21N3O2S/c1-17(12-7-3-4-8-13(12)21-2)15(20)18-9-5-6-11(10-18)14(16)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,16,19)/t11-/m0/s1","","2025-03-21","2025-03-28","(3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide","2025-04-02"],["XUR","(2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name)","C14 H22 N5 O8 P","Oc1c(/C=N/C(CC(O)CNC(=N)N)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C[CH](O)CNC(N)=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC(CNC(=N)N)O)C(=O)O)O","InChI=1S/C14H22N5O8P/c1-7-12(21)10(8(3-17-7)6-27-28(24,25)26)5-18-11(13(22)23)2-9(20)4-19-14(15)16/h3,5,9,11,20-21H,2,4,6H2,1H3,(H,22,23)(H4,15,16,19)(H2,24,25,26)/b18-5+/t9-,11-/m0/s1","","2022-12-12","2023-04-07","(2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name)","2023-04-12"],["XUS","diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C33 H50 N3 O11 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)N)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(C[CH](C)CC)[S](=O)(=O)c4ccc(N)cc4)cc1)OCC;CCC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C33H50N3O11PS/c1-5-23(4)19-36(49(40,41)27-14-10-25(34)11-15-27)20-30(37)29(35-33(38)47-31-21-43-32-28(31)16-17-42-32)18-24-8-12-26(13-9-24)44-22-48(39,45-6-2)46-7-3/h8-15,23,28-32,37H,5-7,16-22,34H2,1-4H3,(H,35,38)/t23-,28-,29-,30+,31-,32+/m0/s1","","2021-01-14","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["GDW","5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione","C21 H24 N2 O2","CCN(CC)CCn1c2CCCC(=O)c2c3C(=O)c4ccccc4c13;CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2","InChI=1S/C21H24N2O2/c1-3-22(4-2)12-13-23-16-10-7-11-17(24)18(16)19-20(23)14-8-5-6-9-15(14)21(19)25/h5-6,8-9H,3-4,7,10-13H2,1-2H3","","2018-09-12","2019-03-22","5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione","2019-03-27"],["A1B3A","(3S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-sulfonamide","C14 H20 N2 O3 S2","O=C(Cc1ccccc1SC)N1CCCC(C1)S(N)(=O)=O;CSc1ccccc1CC(=O)N2CCC[CH](C2)[S](N)(=O)=O;CSc1ccccc1CC(=O)N2CCCC(C2)S(=O)(=O)N","InChI=1S/C14H20N2O3S2/c1-20-13-7-3-2-5-11(13)9-14(17)16-8-4-6-12(10-16)21(15,18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,18,19)/t12-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-sulfonamide","2025-04-02"],["GDX","GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER","C16 H23 N5 O17 P2","O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3O)O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)[CH](O)[CH]4O)C(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/t3-,5-,6+,7+,8-,9+,10+,13-,15-/m1/s1","","2002-09-11","2011-06-04","(2S,3S,4S,5S,6R)-6-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["A1B3B","N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(1,6-naphthyridine-8-carbonyl)piperidin-3-yl]-N~2~-(trifluoroacetyl)-D-valinamide","C27 H26 Cl F4 N5 O3","O=C(c1cncc2cccnc21)N1CCC(C(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)C1)c1cc(F)cc(Cl)c1;CC(C)[CH](NC(=O)C(F)(F)F)C(=O)N[CH]1CN(CC[CH]1c2cc(F)cc(Cl)c2)C(=O)c3cncc4cccnc34;CC(C)C(C(=O)NC1CN(CCC1c2cc(cc(c2)Cl)F)C(=O)c3cncc4c3nccc4)NC(=O)C(F)(F)F","InChI=1S/C27H26ClF4N5O3/c1-14(2)22(36-26(40)27(30,31)32)24(38)35-21-13-37(7-5-19(21)16-8-17(28)10-18(29)9-16)25(39)20-12-33-11-15-4-3-6-34-23(15)20/h3-4,6,8-12,14,19,21-22H,5,7,13H2,1-2H3,(H,35,38)(H,36,40)/t19-,21+,22+/m0/s1","","2025-03-21","2025-10-17","N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(1,6-naphthyridine-8-carbonyl)piperidin-3-yl]-N~2~-(trifluoroacetyl)-D-valinamide","2025-10-22"],["XUT","[4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C23 H24 F3 N3 O6 S","NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1;C[C]12CN(C[CH]1CN(C2)C(=O)c3ccc(cc3)[S](N)(=O)=O)C(=O)OCc4ccc(OC(F)(F)F)cc4;CC12CN(CC1CN(C2)C(=O)OCc3ccc(cc3)OC(F)(F)F)C(=O)c4ccc(cc4)S(=O)(=O)N","InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m0/s1","","2023-06-08","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1B3E","1-[(3S)-3-(fluoromethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one","C15 H20 F N O S","O=C(Cc1ccccc1SC)N1CCCC(CF)C1;CSc1ccccc1CC(=O)N2CCC[CH](CF)C2;CSc1ccccc1CC(=O)N2CCCC(C2)CF","InChI=1S/C15H20FNOS/c1-19-14-7-3-2-6-13(14)9-15(18)17-8-4-5-12(10-16)11-17/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1","","2025-03-21","2025-03-28","1-[(3S)-3-(fluoromethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one","2025-04-02"],["XUV","diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate","C34 H51 N2 O12 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)OC)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(C[CH](C)CC)[S](=O)(=O)c4ccc(OC)cc4)cc1)OCC;CCC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C34H51N2O12PS/c1-6-24(4)20-36(50(40,41)28-15-13-26(42-5)14-16-28)21-31(37)30(35-34(38)48-32-22-44-33-29(32)17-18-43-33)19-25-9-11-27(12-10-25)45-23-49(39,46-7-2)47-8-3/h9-16,24,29-33,37H,6-8,17-23H2,1-5H3,(H,35,38)/t24-,29-,30-,31+,32-,33+/m0/s1","","2021-01-14","2022-01-21","diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate","2022-01-26"],["GDY","(5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione","C16 H13 N O3 S2","c1cc(ccc1OCCc2cccs2)[C@H]=C3C(NC(=O)S3)=O;O=C1NC(=O)C(S1)=Cc2ccc(OCCc3sccc3)cc2;c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3","InChI=1S/C16H13NO3S2/c18-15-14(22-16(19)17-15)10-11-3-5-12(6-4-11)20-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,17,18,19)","","2018-05-18","2019-05-17","(5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione","2019-05-22"],["XUX","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-1H-imidazole-5-carbonitrile","C17 H17 Cl N4 O","Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)C#N;Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1C#N;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)C#N)Cl)C#N","InChI=1S/C17H17ClN4O/c1-17(2,3)13-5-11(7-19)14(18)6-15(13)23-10-16-21-9-12(8-20)22(16)4/h5-6,9H,10H2,1-4H3","","2023-06-08","2024-12-13","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-1H-imidazole-5-carbonitrile","2024-12-18"],["GDZ","2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one","C21 H21 F N6 O","CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4;Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C","InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3","SMN-C5","2018-09-12","2021-03-01","2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one","2019-08-14"],["XUY","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C28 H35 N3 O7 S2","C(C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)O)N(CC(C)C)S(c4ccc5c(c4)scn5)(=O)=O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5ncsc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C28H35N3O7S2/c1-18(2)14-31(40(34,35)20-8-9-22-26(13-20)39-17-29-22)15-24(32)23(12-19-6-4-3-5-7-19)30-28(33)38-25-16-37-27-21(25)10-11-36-27/h3-9,13,17-18,21,23-25,27,32H,10-12,14-16H2,1-2H3,(H,30,33)/t21-,23-,24+,25-,27+/m0/s1","","2021-01-14","2022-04-22","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2022-04-27"],["A1B3Q","(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide","C15 H18 N2 O2 S","NC(=O)C1CCCN(C1)C(=O)C1CSc2ccccc21;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CSc3ccccc23;c1ccc2c(c1)C(CS2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H18N2O2S/c16-14(18)10-4-3-7-17(8-10)15(19)12-9-20-13-6-2-1-5-11(12)13/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,18)/t10-,12-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide","2025-04-02"],["GE0","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate","C38 H68 N7 O17 P3 S","CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(46)23-66-21-20-40-29(47)18-19-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-22-28-32(61-63(51,52)53)31(48)37(60-28)45-26-44-30-34(39)42-25-43-35(30)45/h25-26,28,31-33,37,48-49H,4-24H2,1-3H3,(H,40,47)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t28-,31-,32-,33+,37-/m1/s1","","2020-08-20","2021-02-05","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate","2021-02-10"],["GE1","2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose","C6 H14 N2 O2","OC1OC(CN)CCC1N;NC[CH]1CC[CH](N)[CH](O)O1;C1CC(C(OC1CN)O)N","InChI=1S/C6H14N2O2/c7-3-4-1-2-5(8)6(9)10-4/h4-6,9H,1-3,7-8H2/t4-,5+,6-/m0/s1","3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSE; 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexose;\n2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexose; 2,6-diamino-2,3,4,6-tetradeoxy-erythro-hexose","1999-08-04","2020-07-17","2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose",""],["XUZ","N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide","C29 H14 Cl F5 N6 O2","FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c3cc(F)ccc3Cl)c21)c1ccc2ncnn2c1C#N;Fc1ccc(Cl)c(c1)[CH]2NC(=O)c3cc(cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)c23)c5ccc6ncnn6c5C#N;c1cc(c(cc1F)C2c3c(cc(cc3NC(=O)c4cc(cc(c4)F)C(F)(F)F)c5ccc6ncnn6c5C#N)C(=O)N2)Cl","InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1","RLY-2608","2023-11-13","2023-11-17","N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide","2023-11-22"],["A1B3R","1-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one","C16 H23 N O2 S","O=C(Cc1ccccc1SC)N1CCCC(CCO)C1;CSc1ccccc1CC(=O)N2CCC[CH](CCO)C2;CSc1ccccc1CC(=O)N2CCCC(C2)CCO","InChI=1S/C16H23NO2S/c1-20-15-7-3-2-6-14(15)11-16(19)17-9-4-5-13(12-17)8-10-18/h2-3,6-7,13,18H,4-5,8-12H2,1H3/t13-/m1/s1","","2025-03-21","2025-03-28","1-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one","2025-04-02"],["XV0","2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide","C23 H16 N6 O","N#Cc1ccc(cc1)Nc1nc(ccn1)C(=O)Nc1cnccc1c1ccccc1;O=C(Nc1cnccc1c2ccccc2)c3ccnc(Nc4ccc(cc4)C#N)n3;c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(n3)Nc4ccc(cc4)C#N","InChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29)","","2022-12-13","2023-06-02","2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide","2023-06-07"],["A1B3U","(3S)-N~1~-[4-(methylsulfanyl)pyridin-3-yl]piperidine-1,3-dicarboxamide","C13 H18 N4 O2 S","O=C(Nc1cnccc1SC)N1CCCC(C1)C(N)=O;CSc1ccncc1NC(=O)N2CCC[CH](C2)C(N)=O;CSc1ccncc1NC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C13H18N4O2S/c1-20-11-4-5-15-7-10(11)16-13(19)17-6-2-3-9(8-17)12(14)18/h4-5,7,9H,2-3,6,8H2,1H3,(H2,14,18)(H,16,19)/t9-/m0/s1","","2025-03-21","2025-03-28","(3S)-N~1~-[4-(methylsulfanyl)pyridin-3-yl]piperidine-1,3-dicarboxamide","2025-04-02"],["GE2","3,5-DIAMINO-CYCLOHEXANOL","C6 H14 N2 O","OC1CC(N)CC(N)C1;N[CH]1C[CH](N)C[CH](O)C1;C1C(CC(CC1N)O)N","InChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6-","","1999-08-04","2011-06-04","(1s,3R,5S)-3,5-diaminocyclohexanol",""],["XV1","7-(2-fluorobenzyl)quinolin-8-ol","C16 H12 F N O","Fc1ccccc1Cc2c(O)c3ncccc3cc2;Oc1c(Cc2ccccc2F)ccc3cccnc13;c1ccc(c(c1)Cc2ccc3cccnc3c2O)F","InChI=1S/C16H12FNO/c17-14-6-2-1-4-12(14)10-13-8-7-11-5-3-9-18-15(11)16(13)19/h1-9,19H,10H2","","2009-09-11","2024-09-27","7-(2-fluorobenzyl)quinolin-8-ol",""],["GE3","3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose","C7 H15 N O4","OC1C(NC)C(O)(COC1O)C;CN[CH]1[CH](O)[CH](O)OC[C]1(C)O;CC1(COC(C(C1NC)O)O)O","InChI=1S/C7H15NO4/c1-7(11)3-12-6(10)4(9)5(7)8-2/h4-6,8-11H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1","5-METHYL-4-METHYLAMINO-TETRAHYDRO-PYRAN-2,3,5-TRIOL; 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinose;\n3-deoxy-4-C-methyl-3-(methylamino)-L-arabinose; 3-deoxy-4-C-methyl-3-(methylamino)-arabinose","1999-08-04","2020-07-17","3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose",""],["A1B3V","(3S)-1-{[4-(methylsulfanyl)pyridin-3-yl]acetyl}piperidine-3-carboxamide","C14 H19 N3 O2 S","O=C(Cc1cnccc1SC)N1CCCC(C1)C(N)=O;CSc1ccncc1CC(=O)N2CCC[CH](C2)C(N)=O;CSc1ccncc1CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H19N3O2S/c1-20-12-4-5-16-8-11(12)7-13(18)17-6-2-3-10(9-17)14(15)19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,15,19)/t10-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-{[4-(methylsulfanyl)pyridin-3-yl]acetyl}piperidine-3-carboxamide","2025-04-02"],["GE5","3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide","C31 H26 F N5 O3 S","COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(N=Nc4ccccc4)nc3c5ccc(F)cc5)c1;COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)N=Nc4ccccc4)c5ccc(cc5)F)OC","InChI=1S/C31H26FN5O3S/c1-39-25-13-14-26(40-2)21(18-25)10-15-28(38)34-27-19-22(16-17-33-27)30-29(20-8-11-23(32)12-9-20)35-31(41-30)37-36-24-6-4-3-5-7-24/h3-9,11-14,16-19H,10,15H2,1-2H3,(H,33,34,38)/b37-36+","","2018-09-13","2019-04-12","3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide","2019-04-17"],["XV2","(3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide","C22 H25 F3 N6 O3","O=C(NCc1cnn[NH]1)N1CC2CCN(CCC2C1)C(=O)/C=C/c1ccc(OC(F)(F)F)cc1;FC(F)(F)Oc1ccc(C=CC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)NCc4[nH]nnc4)cc1;c1cc(ccc1C=CC(=O)N2CCC3CN(CC3CC2)C(=O)NCc4cnn[nH]4)OC(F)(F)F","InChI=1S/C22H25F3N6O3/c23-22(24,25)34-19-4-1-15(2-5-19)3-6-20(32)30-9-7-16-13-31(14-17(16)8-10-30)21(33)26-11-18-12-27-29-28-18/h1-6,12,16-17H,7-11,13-14H2,(H,26,33)(H,27,28,29)","","2023-06-08","2024-12-13","(3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide","2024-12-18"],["GE6","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H15 F N3 O15 P3","NC(=O)C1=NC(=CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C1=O)F;C1=C(N=C(C(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F","InChI=1S/C10H15FN3O15P3/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H,22,23)(H,24,25)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1","","2020-08-21","2020-08-28","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-09-02"],["A1B3Z","(3S)-1-[(2-carbamoylphenyl)acetyl]piperidine-3-carboxamide","C15 H19 N3 O3","O=C(Cc1ccccc1C(N)=O)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2C(N)=O;c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)C(=O)N","InChI=1S/C15H19N3O3/c16-14(20)11-5-3-7-18(9-11)13(19)8-10-4-1-2-6-12(10)15(17)21/h1-2,4,6,11H,3,5,7-9H2,(H2,16,20)(H2,17,21)/t11-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(2-carbamoylphenyl)acetyl]piperidine-3-carboxamide","2025-04-02"],["XV3","(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one","C41 H46 Cl F4 N9 O2","CN(C)Cc1cc(ncc1C)/C=C/C(=O)N1CC(C)N(CC1)c1nc(nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc21)OCC12CC(=C)CN2CCC1;C[CH]1CN(CCN1c2nc(OC[C]34CCCN3CC(=C)C4)nc5c(F)c(c(Cl)cc25)c6nc(N)cc(C)c6C(F)(F)F)C(=O)C=Cc7cc(CN(C)C)c(C)cn7;Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N4CCN(CC4C)C(=O)C=Cc5cc(c(cn5)C)CN(C)C)OCC67CCCN6CC(=C)C7)Cl)N","InChI=1S/C41H46ClF4N9O2/c1-23-17-40(10-7-11-54(40)19-23)22-57-39-50-36-29(16-30(42)33(35(36)43)37-34(41(44,45)46)24(2)14-31(47)49-37)38(51-39)55-13-12-53(20-26(55)4)32(56)9-8-28-15-27(21-52(5)6)25(3)18-48-28/h8-9,14-16,18,26H,1,7,10-13,17,19-22H2,2-6H3,(H2,47,49)/b9-8+/t26-,40-/m0/s1","","2023-11-13","2023-12-15","(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one","2023-12-20"],["XV4","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C23 H32 N4 O5","C3(C(CC(NC(C(CC(C)C)NC(c1nc2c(c1)c(OC)ccc2)=O)=O)CO)CCN3)=O;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C23H32N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,26,28H,7-10,12H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1","","2021-01-14","2024-09-27","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2021-07-07"],["GE7","(2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid","C23 H25 N O3","O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c1ccc(C)cc1;Cc1ccc(cc1)c2c3ccccc3nc(C)c2[CH](OC(C)(C)C)C(O)=O;Cc1ccc(cc1)c2c3ccccc3nc(c2C(C(=O)O)OC(C)(C)C)C","InChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)/t21-/m0/s1","","2021-12-20","2022-04-01","(2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid","2022-04-06"],["A1B4A","(3S)-1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperidine-3-carboxamide","C14 H18 N2 O2 S2","NC(=O)C1CCCN(C1)C(=O)C1SCCc2sccc12;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2SCCc3sccc23;c1csc2c1C(SCC2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C14H18N2O2S2/c15-13(17)9-2-1-5-16(8-9)14(18)12-10-3-6-19-11(10)4-7-20-12/h3,6,9,12H,1-2,4-5,7-8H2,(H2,15,17)/t9-,12-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperidine-3-carboxamide","2025-04-02"],["A1B4B","(3S)-1-[(2-bromo-4,5-difluorophenyl)acetyl]piperidine-3-carboxamide","C14 H15 Br F2 N2 O2","O=C(Cc1cc(F)c(F)cc1Br)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc(F)c(F)cc2Br;c1c(c(cc(c1F)F)Br)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H15BrF2N2O2/c15-10-6-12(17)11(16)4-9(10)5-13(20)19-3-1-2-8(7-19)14(18)21/h4,6,8H,1-3,5,7H2,(H2,18,21)/t8-/m0/s1","","2025-03-21","2025-03-28","(3S)-1-[(2-bromo-4,5-difluorophenyl)acetyl]piperidine-3-carboxamide","2025-04-02"],["GE8","2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide","C13 H18 Cl N O2 S","CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS;CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl","InChI=1S/C13H18ClNO2S/c1-13(2,12(16)15-8-3-9-18)17-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,15,16)","","2018-09-13","2024-09-27","2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide","2019-02-27"],["XV5","(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one","C15 H10 O5","Oc1cc(/C=C2Oc3ccccc3C2=O)c(O)cc1O;Oc1cc(O)c(cc1O)C=C2Oc3ccccc3C2=O;c1ccc2c(c1)C(=O)C(=Cc3cc(c(cc3O)O)O)O2","InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H","","2022-12-13","2023-06-09","(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one","2023-06-14"],["XV6","[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D\nIYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]","C41 H38 N6 O5 S2","O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7;O[CH]1[CH](O)[CH](Cc2ccccc2)N(Cc3cccc(c3)C(=O)Nc4sccn4)C(=O)N(Cc5cccc(c5)C(=O)Nc6sccn6)[CH]1Cc7ccccc7;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O","InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1","XV638","1999-10-04","2020-06-17","3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide)",""],["GE9","2,3,5-tris(iodanyl)benzamide","C7 H4 I3 N O","NC(=O)c1cc(I)cc(I)c1I;c1c(cc(c(c1C(=O)N)I)I)I","InChI=1S/C7H4I3NO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12)","","2022-01-31","2022-08-22","2,3,5-tris(iodanyl)benzamide","2022-06-01"],["A1B4E","(3S)-6-oxo-1-{[(2P)-2-(pyridin-3-yl)phenyl]methyl}piperidine-3-carboxamide","C18 H19 N3 O2","NC(=O)C1CCC(=O)N(Cc2ccccc2c2cccnc2)C1;NC(=O)[CH]1CCC(=O)N(C1)Cc2ccccc2c3cccnc3;c1ccc(c(c1)CN2CC(CCC2=O)C(=O)N)c3cccnc3","InChI=1S/C18H19N3O2/c19-18(23)15-7-8-17(22)21(12-15)11-14-4-1-2-6-16(14)13-5-3-9-20-10-13/h1-6,9-10,15H,7-8,11-12H2,(H2,19,23)/t15-/m0/s1","","2025-03-24","2025-03-28","(3S)-6-oxo-1-{[(2P)-2-(pyridin-3-yl)phenyl]methyl}piperidine-3-carboxamide","2025-04-02"],["A1B4F","(3S)-1-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide","C14 H18 N2 O2","NC(=O)C1CCC(=O)N(Cc2cc(C)ccc2)C1;Cc1cccc(CN2C[CH](CCC2=O)C(N)=O)c1;Cc1cccc(c1)CN2CC(CCC2=O)C(=O)N","InChI=1S/C14H18N2O2/c1-10-3-2-4-11(7-10)8-16-9-12(14(15)18)5-6-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,18)/t12-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide","2025-04-02"],["GEB","3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal","C10 H18 N2 O2","O=CCCN1CCN(CCC=O)CC1;C1CN(CCN1CCC=O)CCC=O","InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2","","2018-09-13","2024-09-27","3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal","2019-02-06"],["XV7","9H-fluorene-2,7-disulfonate","C13 H10 O6 S2","c12c(ccc(S(O)(=O)=O)c1)c3ccc(cc3C2)S(O)(=O)=O;O[S](=O)(=O)c1ccc2c(Cc3cc(ccc23)[S](O)(=O)=O)c1;c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O","InChI=1S/C13H10O6S2/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19)","","2021-01-15","2021-11-26","9H-fluorene-2,7-disulfonic acid","2021-12-01"],["XV8","(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide","C22 H18 N4 O3","CNC(=O)c1ccc(c2cn(Cc3ccccc3)c3ncccc32)c(c1)[N+]([O-])=O;CNC(=O)c1ccc(c2cn(Cc3ccccc3)c4ncccc24)c(c1)[N+]([O-])=O;CNC(=O)c1ccc(c(c1)[N+](=O)[O-])c2cn(c3c2cccn3)Cc4ccccc4","InChI=1S/C22H18N4O3/c1-23-22(27)16-9-10-17(20(12-16)26(28)29)19-14-25(13-15-6-3-2-4-7-15)21-18(19)8-5-11-24-21/h2-12,14H,13H2,1H3,(H,23,27)","","2023-06-08","2024-12-13","(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide","2024-12-18"],["A1B4O","(3S)-1-[(2S)-2-(3-chloro-6-fluoropyridin-2-yl)propanoyl]piperidine-3-carboxamide","C14 H17 Cl F N3 O2","O=C(C(C)c1nc(F)ccc1Cl)N1CCCC(C1)C(N)=O;C[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2nc(F)ccc2Cl;CC(c1c(ccc(n1)F)Cl)C(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H17ClFN3O2/c1-8(12-10(15)4-5-11(16)18-12)14(21)19-6-2-3-9(7-19)13(17)20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,20)/t8-,9-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(2S)-2-(3-chloro-6-fluoropyridin-2-yl)propanoyl]piperidine-3-carboxamide","2025-04-02"],["GEC","4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol","C20 H22 O6","COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4;COc1cc(ccc1O)C2C3COC(C3CO2)c4ccc(c(c4)OC)O","InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1","(+)-pinoresinol","2020-08-22","2021-06-04","4-[(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol","2021-06-09"],["GED","N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide","C36 H43 N7 O8 S2","CCN1CCN(CC1)CCC(=O)Nc2ccc(cc2)[S](=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)=O)[S](=O)(=O)c4ccc(OC)cc4)c5ccccc35;CCN1CCN(CC1)CCC(=O)Nc2ccc(cc2)S(=O)(=O)N(CC(=O)N)c3ccc(c4c3cccc4)N(CC(=O)N)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C36H43N7O8S2/c1-3-40-20-22-41(23-21-40)19-18-36(46)39-26-8-12-28(13-9-26)52(47,48)42(24-34(37)44)32-16-17-33(31-7-5-4-6-30(31)32)43(25-35(38)45)53(49,50)29-14-10-27(51-2)11-15-29/h4-17H,3,18-25H2,1-2H3,(H2,37,44)(H2,38,45)(H,39,46)","","2022-05-06","2022-07-01","~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide","2022-07-06"],["XV9","(phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate","C36 H46 N6 O5","CC[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C(=O)N[CH](Cc2ccccc2)C(=O)N(C)N(Cc3ccccc3)C=N)C(C)(C)C;CCC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)N(C)N(Cc2ccccc2)C=N)C(C)(C)C)NC(=O)OCc3ccccc3","InChI=1S/C36H46N6O5/c1-6-29(39-35(46)47-24-28-20-14-9-15-21-28)32(43)40-31(36(2,3)4)33(44)38-30(22-26-16-10-7-11-17-26)34(45)41(5)42(25-37)23-27-18-12-8-13-19-27/h7-21,25,29-31,37H,6,22-24H2,1-5H3,(H,38,44)(H,39,46)(H,40,43)/b37-25-/t29-,30-,31+/m0/s1","","2023-11-14","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate","2024-07-03"],["A1BEY","ethynyl-N-phenylpropiolamide-cobalamin","C71 H95 Co N14 O15 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#CC(=O)Nc7ccccc7)[N]8C(=C(C)C9=[N+]6C(=C5)[CH](CCC(N)=O)[C]9(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]28C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C(C1(C)C)CCC(=O)N)C)C#CC(=O)Nc1ccccc1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.C9H6NO.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-9(11)10-8-6-4-3-5-7-8;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);3-7H,(H,10,11);/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl hydrogen phosphate","2024-11-01","2025-09-19","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl hydrogen phosphate","2025-09-24"],["XVA","4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine","C18 H21 F4 N3","FC(F)c1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1;CN(C)CCc1cc(F)c(F)c(CCc2cc(cc(N)n2)C(F)F)c1;CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C(F)F","InChI=1S/C18H21F4N3/c1-25(2)6-5-11-7-12(17(20)15(19)8-11)3-4-14-9-13(18(21)22)10-16(23)24-14/h7-10,18H,3-6H2,1-2H3,(H2,23,24)","","2022-12-13","2023-10-06","4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine","2023-10-11"],["GEE","ethyl glycinate","C4 H9 N O2","O=C(OCC)CN;CCOC(=O)CN;CCOC(=O)CN","InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3","","2011-01-24","2012-03-02","ethyl glycinate",""],["A1BEZ","ethynyl-N-ethylpropiolamide-cobalamin","C67 H95 Co N14 O15 P","CCNC(=O)C#C[Co]123[N]4C5=C(C)C6=[N+]1C(=CC7=[N+]2C(=C(C)C8=[N+]3[CH]([CH](CC(N)=O)[C]8(C)CCC(=O)NC[CH](C)O[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(C)c(C)cc%10%11)[C]4(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[CH](CCC(N)=O)C7(C)C)[CH](CCC(N)=O)[C]6(C)CC(N)=O;CCNC(=O)C#C[Co]123N4C5=C(C6=[N+]1C(=CC7=[N+]2C(=C(C8=[N+]3C(C4(C(C5CCC(=O)N)(C)CC(=O)N)C)C(C8(C)CCC(=O)NCC(C)OP(=O)(O)OC9C(OC(C9O)n1cnc2c1cc(c(c2)C)C)CO)CC(=O)N)C)C(C7(C)C)CCC(=O)N)C(C6(C)CC(=O)N)CCC(=O)N)C","InChI=1S/C62H90N13O14P.C5H6NO.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-3-5(7)6-4-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);4H2,2H3,(H,6,7);/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R},22~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-1-[3-(ethylamino)-3-oxidanylidene-prop-1-ynyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate","2024-11-01","2025-09-19","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R},22~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-1-[3-(ethylamino)-3-oxidanylidene-prop-1-ynyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate","2025-09-24"],["A1BFA","4-acetylpiperazine-1-carboxamide","C7 H13 N3 O2","O=C(N)N1CCN(CC1)C(C)=O;CC(=O)N1CCN(CC1)C(N)=O;CC(=O)N1CCN(CC1)C(=O)N","InChI=1S/C7H13N3O2/c1-6(11)9-2-4-10(5-3-9)7(8)12/h2-5H2,1H3,(H2,8,12)","","2024-11-04","2024-11-22","4-acetylpiperazine-1-carboxamide","2024-11-27"],["GEF","4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol","C20 H22 O6","COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4;COc1cc(ccc1O)C2C3COC(C3CO2)c4ccc(c(c4)OC)O","InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1","(-)-pinoresinol","2020-08-22","2021-06-04","4-[(3~{R},3~{a}~{S},6~{R},6~{a}~{S})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol","2021-06-09"],["XVB","6-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide","C27 H33 N5 O6 S","NS(=O)(=O)c1ccc(nc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;N[S](=O)(=O)c1ccc(nc1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6;c1cc(ncc1S(=O)(=O)N)C(=O)N2CC3CN(CC3C2)C(=O)c4cc(nc(c4)OCC5CCOCC5)C6CC6","InChI=1S/C27H33N5O6S/c28-39(35,36)22-3-4-23(29-11-22)27(34)32-14-20-12-31(13-21(20)15-32)26(33)19-9-24(18-1-2-18)30-25(10-19)38-16-17-5-7-37-8-6-17/h3-4,9-11,17-18,20-21H,1-2,5-8,12-16H2,(H2,28,35,36)","","2023-06-08","2024-12-13","6-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide","2024-12-18"],["GEG","(4E)-4-AMINOHEX-4-ENOIC ACID","C6 H11 N O2","O=C(O)CCC(=C/C)N;CC=C(N)CCC(O)=O;CC=C(CCC(=O)O)N","InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+","","2003-06-03","2024-09-27","(4E)-4-aminohex-4-enoic acid",""],["A1BFB","2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate","C14 H14 O4","CC(=O)Oc1ccc2c(c1)OC(=O)C=C2CCC;CCCC1=CC(=O)Oc2cc(OC(C)=O)ccc12;CCCC1=CC(=O)Oc2c1ccc(c2)OC(=O)C","InChI=1S/C14H14O4/c1-3-4-10-7-14(16)18-13-8-11(17-9(2)15)5-6-12(10)13/h5-8H,3-4H2,1-2H3","","2024-11-04","2024-11-22","2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate","2024-11-27"],["XVC","6-azido-6-deoxy-alpha-D-glucopyranose","C6 H11 N3 O5","OC1C(O)C(CN=[N+]=[N-])OC(O)C1O;O[CH]1O[CH](CN=[N+]=[N-])[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)N=[N+]=[N-]","InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1","","2023-11-13","2024-03-22","6-azido-6-deoxy-alpha-D-glucopyranose","2024-03-27"],["XVD","6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol","C14 H8 Cl F3 N2 O2","n3c2c(cc(c1c(cccc1Cl)OC(F)(F)F)cc2)nc3O;Oc1[nH]c2cc(ccc2n1)c3c(Cl)cccc3OC(F)(F)F;c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F","InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)","","2021-01-15","2021-05-07","6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol","2021-05-12"],["GEH","2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","C12 H16 Cl N O2 S","CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl","InChI=1S/C12H16ClNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)","","2018-09-13","2024-09-27","2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","2019-02-27"],["A1BFF","N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide","C9 H18 N2 O3 S","O=C(C)N1CCCC(CNS(C)(=O)=O)C1;CC(=O)N1CCC[CH](CN[S](C)(=O)=O)C1;CC(=O)N1CCCC(C1)CNS(=O)(=O)C","InChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3","","2024-11-04","2024-11-22","N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide","2024-11-27"],["GEI","(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid","C34 H43 F N2 O4","Fc1ccc(cc1)CCOc1ccc(cc1)c1c(c(c(C)nc1C)C(OC(C)(C)C)C(=O)O)N1CCC(C)(C)CC1;Cc1nc(C)c(c2ccc(OCCc3ccc(F)cc3)cc2)c(N4CCC(C)(C)CC4)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c(c(n1)C)C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F","InChI=1S/C34H43FN2O4/c1-22-28(25-10-14-27(15-11-25)40-21-16-24-8-12-26(35)13-9-24)30(37-19-17-34(6,7)18-20-37)29(23(2)36-22)31(32(38)39)41-33(3,4)5/h8-15,31H,16-21H2,1-7H3,(H,38,39)/t31-/m0/s1","","2021-12-20","2022-04-01","(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid","2022-04-06"],["XVE","PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE","C18 H18 Cl N O3","ClCC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2;c1ccc(cc1)CC(C(=O)CCl)NC(=O)OCc2ccccc2","InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1","","2010-11-18","2011-08-12","phenylmethyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate",""],["XVF","6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine","C20 H27 F2 N3","Cc1cc(CCc2cc(CCN(CC)CC)cc(F)c2F)nc(N)c1;CCN(CC)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1;CCN(CC)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C","InChI=1S/C20H27F2N3/c1-4-25(5-2)9-8-15-12-16(20(22)18(21)13-15)6-7-17-10-14(3)11-19(23)24-17/h10-13H,4-9H2,1-3H3,(H2,23,24)","","2022-12-13","2023-10-06","6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine","2023-10-11"],["GEJ","(2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide","C22 H28 N6 O3 S","CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCc4oncc4;CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCCc4ccno4)C)C(=O)C","InChI=1S/C22H28N6O3S/c1-4-16-19(14(3)29)13(2)26-20(16)17-12-32-22(27-17)28-10-9-23-11-18(28)21(30)24-7-5-15-6-8-25-31-15/h6,8,12,18,23,26H,4-5,7,9-11H2,1-3H3,(H,24,30)/t18-/m1/s1","","2022-02-02","2022-09-23","(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide","2022-09-28"],["XVG","1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid","C27 H27 Cl N8 O12 S","CC(C(O)=O)(C)ON=C(c1nc(N)sc1Cl)C(NC(C=O)CN2NC(=C(C2)C(NCCN4C(=O)c3cc(O)c(cc3C4=O)O)=O)C(O)=O)=O;CC(C)(ON=C(C(=O)N[CH](CN1CC(=C(N1)C(O)=O)C(=O)NCCN2C(=O)c3cc(O)c(O)cc3C2=O)C=O)c4nc(N)sc4Cl)C(O)=O;CC(C)(C(=O)O)ON=C(c1c(sc(n1)N)Cl)C(=O)NC(CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O","InChI=1S/C27H27ClN8O12S/c1-27(2,25(46)47)48-34-18(17-19(28)49-26(29)32-17)21(41)31-10(9-37)7-35-8-13(16(33-35)24(44)45)20(40)30-3-4-36-22(42)11-5-14(38)15(39)6-12(11)23(36)43/h5-6,9-10,33,38-39H,3-4,7-8H2,1-2H3,(H2,29,32)(H,30,40)(H,31,41)(H,44,45)(H,46,47)/b34-18-/t10-/m0/s1","","2021-01-15","2024-09-27","1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid","2021-04-28"],["GEK","(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]\n-2-ammoniobutanoate","C16 H22 N6 O7 S","[O-]C(=O)C[S+](CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](C[S+](CC[CH]([NH3+])C([O-])=O)CC([O-])=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C[S+](CCC(C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N","InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30-/m0/s1","CARBOXY-S-ADENOSYLMETHIONINE","2012-08-29","2020-06-17","(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]-2-ammoniobutanoate ",""],["GEL","1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","C20 H45 N O8 P2","O=P(OCC(OP(=O)(O)CCCCCCC)COCCCCCCCC)(OCCN)O;CCCCCCCCOC[CH](CO[P](O)(=O)OCCN)O[P](O)(=O)CCCCCCC;CCCCCCCCOCC(COP(=O)(O)OCCN)OP(=O)(CCCCCCC)O","InChI=1S/C20H45NO8P2/c1-3-5-7-9-10-12-15-26-18-20(19-28-31(24,25)27-16-14-21)29-30(22,23)17-13-11-8-6-4-2/h20H,3-19,21H2,1-2H3,(H,22,23)(H,24,25)/t20-/m1/s1","","1999-07-08","2011-06-04","(1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octyloxy)methyl]ethyl hydrogen (S)-heptylphosphonate",""],["A1BFU","1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine","C8 H16 N2 O3 S","O=S(=O)(N1CC(OC)C1)N1CCCC1;COC1CN(C1)[S](=O)(=O)N2CCCC2;COC1CN(C1)S(=O)(=O)N2CCCC2","InChI=1S/C8H16N2O3S/c1-13-8-6-10(7-8)14(11,12)9-4-2-3-5-9/h8H,2-7H2,1H3","","2024-11-04","2024-11-22","1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine","2024-11-27"],["XVH","(4M)-N-methyl-4-(5-methyl-6-propoxypyridin-3-yl)-3-nitrobenzamide","C17 H19 N3 O4","CNC(=O)c1ccc(c2cnc(OCCC)c(C)c2)c(c1)[N+]([O-])=O;CCCOc1ncc(cc1C)c2ccc(cc2[N+]([O-])=O)C(=O)NC;CCCOc1c(cc(cn1)c2ccc(cc2[N+](=O)[O-])C(=O)NC)C","InChI=1S/C17H19N3O4/c1-4-7-24-17-11(2)8-13(10-19-17)14-6-5-12(16(21)18-3)9-15(14)20(22)23/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)","","2023-06-08","2024-12-13","(4M)-N-methyl-4-(5-methyl-6-propoxypyridin-3-yl)-3-nitrobenzamide","2024-12-18"],["A1BFV","(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone","C10 H15 F N2 O2","O=C(N1CC(F)=CCC1)N1CCOCC1;FC1=CCCN(C1)C(=O)N2CCOCC2;C1CN(CC(=C1)F)C(=O)N2CCOCC2","InChI=1S/C10H15FN2O2/c11-9-2-1-3-13(8-9)10(14)12-4-6-15-7-5-12/h2H,1,3-8H2","","2024-11-04","2024-11-22","(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone","2024-11-27"],["XVI","2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide","C23 H21 F3 N4 O3","COc1cc(cc(OC(F)F)c1C(=O)N[CH]2C[CH]2F)c3cnn4cc(ccc34)C(C)(C)C#N;CC(C)(C#N)c1ccc2c(cnn2c1)c3cc(c(c(c3)OC(F)F)C(=O)NC4CC4F)OC","InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1","","2023-11-14","2024-03-22","2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide","2024-03-27"],["GEM","(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID","C7 H13 N3 O4 S","O=C(O)C(SCCNC(=[N@H])N)CC(=O)O;NC(=N)NCCS[CH](CC(O)=O)C(O)=O;C(CSC(CC(=O)O)C(=O)O)NC(=N)N","InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1","2-GUANIDINOETHYLTHIO)SUCCINIC ACID; GUANIDINOETHYL MERCAPTOSUCCINIC ACID; GEMSA","2001-02-12","2020-06-17","(2S)-2-[(2-carbamimidamidoethyl)sulfanyl]butanedioic acid",""],["GEN","GENISTEIN","C15 H10 O5","O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O;Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O;c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O","InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H","5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; 4',5,7-TRIHYDROXYISOFLAVONE; PRUNETOL; GENISTEOL","1999-07-28","2020-06-17","5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one",""],["XVJ","diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C34 H48 N3 O11 P S2","C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(C[CH](C)CC)[S](=O)(=O)c4ccc5ncsc5c4)cc1)OCC;CCC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C34H48N3O11PS2/c1-5-23(4)18-37(51(41,42)26-12-13-28-32(17-26)50-21-35-28)19-30(38)29(36-34(39)48-31-20-44-33-27(31)14-15-43-33)16-24-8-10-25(11-9-24)45-22-49(40,46-6-2)47-7-3/h8-13,17,21,23,27,29-31,33,38H,5-7,14-16,18-20,22H2,1-4H3,(H,36,39)/t23-,27-,29-,30+,31-,33+/m0/s1","","2021-01-15","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["A1BFY","N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide","C10 H19 N O3 S","CS(=O)(=O)NC1CC2(CCCC2)OCC1;C[S](=O)(=O)N[CH]1CCOC2(CCCC2)C1;CS(=O)(=O)NC1CCOC2(C1)CCCC2","InChI=1S/C10H19NO3S/c1-15(12,13)11-9-4-7-14-10(8-9)5-2-3-6-10/h9,11H,2-8H2,1H3","","2024-11-04","2024-11-22","N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide","2024-11-27"],["GEO","GEMCITABINE","C9 H11 F2 N3 O4","O=C1N=C(N)C=CN1C2OC(C(O)C2(F)F)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)C2(F)F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F","InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1","2',2'-DIFLUORODEOXYCYTIDINE","2003-04-29","2020-06-17","2'-deoxy-2',2'-difluorocytidine",""],["XVK","6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine","C21 H28 F2 N4","Cc1cc(nc(N)c1)CCc1cc(CCN2CCN(C)CC2)cc(F)c1F;CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C","InChI=1S/C21H28F2N4/c1-15-11-18(25-20(24)12-15)4-3-17-13-16(14-19(22)21(17)23)5-6-27-9-7-26(2)8-10-27/h11-14H,3-10H2,1-2H3,(H2,24,25)","","2022-12-13","2023-10-06","6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine","2023-10-11"],["A1BFZ","N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide","C8 H15 N3 O2 S","Cn1ncc(C(C)NS(C)(=O)=O)c1C;C[CH](N[S](C)(=O)=O)c1cnn(C)c1C;Cc1c(cnn1C)C(C)NS(=O)(=O)C","InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3","","2024-11-04","2024-11-22","N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide","2024-11-27"],["XVL","(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-2,3-dihydro-1H-isoindol-5-yl)(3-hydroxy-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl)methanone","C30 H32 N4 O6","O=C(c1cc(nc(OCC2CCOCC2)c1)C1CC1)N1Cc2ccc(cc2C1)C(=O)N1CCc2onc(O)c2C1;Oc1noc2CCN(Cc12)C(=O)c3ccc4CN(Cc4c3)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7;c1cc2c(cc1C(=O)N3CCc4c(c(no4)O)C3)CN(C2)C(=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7","InChI=1S/C30H32N4O6/c35-28-24-16-33(8-5-26(24)40-32-28)29(36)20-3-4-21-14-34(15-23(21)11-20)30(37)22-12-25(19-1-2-19)31-27(13-22)39-17-18-6-9-38-10-7-18/h3-4,11-13,18-19H,1-2,5-10,14-17H2,(H,32,35)","","2023-06-08","2024-12-13","(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-2,3-dihydro-1H-isoindol-5-yl)(3-hydroxy-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl)methanone","2024-12-18"],["A1BG8","N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide","C16 H15 N5 O","O=C(Nc1cn(C)nc1)c1ccccc1c1cnc(C)nc1;Cn1cc(NC(=O)c2ccccc2c3cnc(C)nc3)cn1;Cc1ncc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C","InChI=1S/C16H15N5O/c1-11-17-7-12(8-18-11)14-5-3-4-6-15(14)16(22)20-13-9-19-21(2)10-13/h3-10H,1-2H3,(H,20,22)","","2024-11-11","2025-02-21","N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide","2025-02-26"],["GEP","N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION","C19 H29 N2 O3","O=C(O)CCCC(=O)Nc1ccc(cc1)CC[N+]2(CCCCC2)C;C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O)cc2;C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O","InChI=1S/C19H28N2O3/c1-21(13-3-2-4-14-21)15-12-16-8-10-17(11-9-16)20-18(22)6-5-7-19(23)24/h8-11H,2-7,12-15H2,1H3,(H-,20,22,23,24)/p+1","","1999-07-08","2011-06-04","1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium",""],["XVM","diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C34 H49 N2 O13 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(C[CH](C)CC)[S](=O)(=O)c4ccc5OCOc5c4)cc1)OCC;CCC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C34H49N2O13PS/c1-5-23(4)18-36(51(40,41)26-12-13-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)49-32-20-43-33-27(32)14-15-42-33)16-24-8-10-25(11-9-24)46-22-50(39,47-6-2)48-7-3/h8-13,17,23,27-29,32-33,37H,5-7,14-16,18-22H2,1-4H3,(H,35,38)/t23-,27-,28-,29+,32-,33+/m0/s1","","2021-01-15","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["GEQ","5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE","C26 H23 N3 O","O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6;O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5;c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6","InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2","GENZ-10850","2003-08-30","2021-03-01","5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole",""],["A1BGB","2-(4-benzyl-1-oxophthalazin-2(1H)-yl)-N-(2,6-dimethylphenyl)acetamide","C25 H23 N3 O2","Cc1cccc(C)c1NC(=O)CN1N=C(Cc2ccccc2)c2ccccc2C1=O;Cc1cccc(C)c1NC(=O)CN2N=C(Cc3ccccc3)c4ccccc4C2=O;Cc1cccc(c1NC(=O)CN2C(=O)c3ccccc3C(=N2)Cc4ccccc4)C","InChI=1S/C25H23N3O2/c1-17-9-8-10-18(2)24(17)26-23(29)16-28-25(30)21-14-7-6-13-20(21)22(27-28)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,29)","","2024-11-08","2025-11-07","2-(4-benzyl-1-oxophthalazin-2(1H)-yl)-N-(2,6-dimethylphenyl)acetamide","2025-11-12"],["GER","GERAN-8-YL GERAN","C20 H34","C(=C/CCC(=C/C)/C)(CC/C=C(/CC/C=C(C)C)C)C;CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+","","2000-01-19","2024-09-27","(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene",""],["A1BGE","5'-deoxy-5'-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}sulfamamido)adenosine","C20 H31 N9 O6 S2","O=C1NC2C(CCCCCNS(=O)(=O)NCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)SCC2N1;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NCCCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)NCCCCCC4C5C(CS4)NC(=O)N5)O)O)N","InChI=1S/C20H31N9O6S2/c21-17-14-18(23-8-22-17)29(9-24-14)19-16(31)15(30)11(35-19)6-26-37(33,34)25-5-3-1-2-4-12-13-10(7-36-12)27-20(32)28-13/h8-13,15-16,19,25-26,30-31H,1-7H2,(H2,21,22,23)(H2,27,28,32)/t10-,11+,12-,13-,15+,16+,19+/m0/s1","","2024-11-10","2025-04-04","5'-deoxy-5'-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}sulfamamido)adenosine","2025-04-09"],["XVO","6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine","C17 H21 F2 N3","Nc1cccc(CCc2cc(CCN(C)C)cc(F)c2F)n1;CN(C)CCc1cc(F)c(F)c(CCc2cccc(N)n2)c1;CN(C)CCc1cc(c(c(c1)F)F)CCc2cccc(n2)N","InChI=1S/C17H21F2N3/c1-22(2)9-8-12-10-13(17(19)15(18)11-12)6-7-14-4-3-5-16(20)21-14/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21)","","2022-12-13","2023-10-06","6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine","2023-10-11"],["A1BGF","5'-deoxy-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine","C22 H30 N10 O4 S","O=C1NC2C(CCCCCc3cn(CC4OC(n5cnc6c(N)ncnc65)C(O)C4O)nn3)SCC2N1;Nc1ncnc2n(cnc12)[CH]3O[CH](Cn4cc(CCCCC[CH]5SC[CH]6NC(=O)N[CH]56)nn4)[CH](O)[CH]3O;c1c(nnn1CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CCCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C22H30N10O4S/c23-19-16-20(25-9-24-19)32(10-26-16)21-18(34)17(33)13(36-21)7-31-6-11(29-30-31)4-2-1-3-5-14-15-12(8-37-14)27-22(35)28-15/h6,9-10,12-15,17-18,21,33-34H,1-5,7-8H2,(H2,23,24,25)(H2,27,28,35)/t12-,13+,14-,15-,17+,18+,21+/m0/s1","","2024-11-10","2025-04-04","5'-deoxy-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine","2025-04-09"],["GES","3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name)","C18 H30 N6 O2","C(NC(c1cc(C(C)(C)C)nn1C)=O)(CC(C)C)C(N(N(C)C#N)C)=O;CC(C)C[CH](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)N(C)N(C)C#N;CC(C)CC(C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C","InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1","","2018-05-18","2020-05-29","3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name)","2020-06-03"],["XVP","diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate","C34 H51 N2 O12 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)CO)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(C[CH](C)CC)[S](=O)(=O)c4ccc(CO)cc4)cc1)OCC;CCC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1S/C34H51N2O12PS/c1-5-24(4)19-36(50(41,42)28-14-10-26(21-37)11-15-28)20-31(38)30(35-34(39)48-32-22-44-33-29(32)16-17-43-33)18-25-8-12-27(13-9-25)45-23-49(40,46-6-2)47-7-3/h8-15,24,29-33,37-38H,5-7,16-23H2,1-4H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1","","2021-01-15","2022-01-21","diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate","2022-01-26"],["GET","GENETICIN","C20 H40 N4 O10","O(C2C(O)C(OC1OC(C(O)C)C(O)C(O)C1N)C(N)CC2N)C3OCC(O)(C(NC)C3O)C;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH]([CH](C)O)[CH](O)[CH](O)[CH]3N)[CH]2O;CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)O","InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1","G418","2002-10-02","2021-03-01","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranoside",""],["XVQ","6-{[2-(methylsulfanyl)-5-(2,4,6-trichlorobenzoyl)phenyl]methyl}pyridazin-3(2H)-one","C19 H13 Cl3 N2 O2 S","Clc1cc(Cl)cc(Cl)c1C(=O)c1cc(CC=2C=CC(=O)NN=2)c(SC)cc1;CSc1ccc(cc1CC2=NNC(=O)C=C2)C(=O)c3c(Cl)cc(Cl)cc3Cl;CSc1ccc(cc1CC2=NNC(=O)C=C2)C(=O)c3c(cc(cc3Cl)Cl)Cl","InChI=1S/C19H13Cl3N2O2S/c1-27-16-4-2-10(6-11(16)7-13-3-5-17(25)24-23-13)19(26)18-14(21)8-12(20)9-15(18)22/h2-6,8-9H,7H2,1H3,(H,24,25)","","2023-06-08","2024-12-13","6-{[2-(methylsulfanyl)-5-(2,4,6-trichlorobenzoyl)phenyl]methyl}pyridazin-3(2H)-one","2024-12-18"],["A1BGQ","N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide","C22 H27 N3 O2","O=C(C(Cc1ccc(CN)cc1)NC(=O)c1ccccc1)N1CCCCC1;NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N3CCCCC3)cc1;c1ccc(cc1)C(=O)NC(Cc2ccc(cc2)CN)C(=O)N3CCCCC3","InChI=1S/C22H27N3O2/c23-16-18-11-9-17(10-12-18)15-20(22(27)25-13-5-2-6-14-25)24-21(26)19-7-3-1-4-8-19/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)/t20-/m0/s1","","2024-11-11","2025-02-21","N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide","2025-02-26"],["A1BGR","N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide","C16 H18 Cl N3 O5","O=C(Nc1cc(cc(Cl)c1)C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1;CN1OC(=CC1=O)C(=O)Nc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO;CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)C2=CC(=O)N(O2)C","InChI=1S/C16H18ClN3O5/c1-16(2,8-21)19-14(23)9-4-10(17)6-11(5-9)18-15(24)12-7-13(22)20(3)25-12/h4-7,21H,8H2,1-3H3,(H,18,24)(H,19,23)","","2024-11-11","2025-02-21","N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide","2025-02-26"],["XVR","(5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one","C13 H20 O4","O=C(CCCCC1OC(C=C1)=O)C(CC)(C)O;CC[C](C)(O)C(=O)CCCC[CH]1OC(=O)C=C1;CCC(C)(C(=O)CCCCC1C=CC(=O)O1)O","InChI=1S/C13H20O4/c1-3-13(2,16)11(14)7-5-4-6-10-8-9-12(15)17-10/h8-10,16H,3-7H2,1-2H3/t10-,13+/m0/s1","","2020-04-29","2020-07-17","(5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one","2020-07-22"],["GEU","3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione","C22 H19 Cl N4 O4","CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)c4)C;Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C","InChI=1S/C22H19ClN4O4/c1-11-15(19(28)18-12(2)24-26(4)20(18)29)8-9-16-17(11)21(30)27(22(31)25(16)3)14-7-5-6-13(23)10-14/h5-10,24H,1-4H3","","2020-08-26","2022-03-11","3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione","2022-03-16"],["GEV","(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione","C23 H18 N2 O4 S","c4ccc(c3nc(CCC(c2ccc(C=C1C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4;Cc1oc(nc1CCC(=O)c2ccc(cc2)C=C3SC(=O)NC3=O)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4","InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28)","Darglitazone","2018-05-18","2020-06-17","(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione","2019-05-22"],["XVS","diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C35 H53 N2 O12 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)OC)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc(OC)cc4)cc1)OCC;CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C35H53N2O12PS/c1-6-25(7-2)21-37(51(41,42)29-16-14-27(43-5)15-17-29)22-32(38)31(36-35(39)49-33-23-45-34-30(33)18-19-44-34)20-26-10-12-28(13-11-26)46-24-50(40,47-8-3)48-9-4/h10-17,25,30-34,38H,6-9,18-24H2,1-5H3,(H,36,39)/t30-,31-,32+,33-,34+/m0/s1","","2021-01-15","2022-01-21","diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["KXD","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","C38 H37 N9 O14 P2","NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(COc8cccc9ccccc89)cc7)c%10c(N)ncnc6%10)c2N1;c1ccc2c(c1)cccc2OCc3ccc(cc3)c4cn(c5c4c(ncn5)N)C6C(C7C(O6)COP(=O)(OC8C(C(COP(=O)(O7)O)OC8n9cnc1c9NC(=NC1=O)N)O)O)O","InChI=1S/C38H37N9O14P2/c39-32-26-22(20-10-8-18(9-11-20)13-55-23-7-3-5-19-4-1-2-6-21(19)23)12-46(33(26)42-16-41-32)36-29(49)30-25(59-36)15-57-63(53,54)61-31-28(48)24(14-56-62(51,52)60-30)58-37(31)47-17-43-27-34(47)44-38(40)45-35(27)50/h1-12,16-17,24-25,28-31,36-37,48-49H,13-15H2,(H,51,52)(H,53,54)(H2,39,41,42)(H3,40,44,45,50)/t24-,25-,28-,29-,30-,31-,36-,37-/m1/s1","","2022-06-07","2022-10-07","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","2022-10-12"],["XVT","(2R)-2-methyl-1,3-thiazolidine","C4 H9 N S","CC1NCCS1;C[CH]1NCCS1;CC1NCCS1","InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3/t4-/m1/s1","","2023-11-14","2024-10-25","(2R)-2-methyl-1,3-thiazolidine","2024-10-30"],["A1BGY","5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide","C16 H19 N3 O","O=C(Nc1ccncc1C)c1cc(C2CC2)n(C)c1C;Cn1c(C)c(cc1C2CC2)C(=O)Nc3ccncc3C;Cc1cnccc1NC(=O)c2cc(n(c2C)C)C3CC3","InChI=1S/C16H19N3O/c1-10-9-17-7-6-14(10)18-16(20)13-8-15(12-4-5-12)19(3)11(13)2/h6-9,12H,4-5H2,1-3H3,(H,17,18,20)","","2024-11-11","2025-02-21","5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide","2025-02-26"],["KXE","3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid","C20 H17 Cl2 N3 O3","OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3;c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O","InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)","","2019-07-03","2020-07-17","3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid","2020-07-22"],["XVU","6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine","C18 H23 F2 N3","Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1;CN(C)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN(C)C","InChI=1S/C18H23F2N3/c1-12-8-15(22-17(21)9-12)5-4-14-10-13(6-7-23(2)3)11-16(19)18(14)20/h8-11H,4-7H2,1-3H3,(H2,21,22)","","2022-12-13","2023-10-06","6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine","2023-10-11"],["A1BGZ","(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide","C18 H18 N4 O2","O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1;COCc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3;Cn1cc(cn1)NC(=O)c2ccccc2c3ccnc(c3)COC","InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)","","2024-11-11","2025-02-21","(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide","2025-02-26"],["KXF","2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide","C14 H14 N2 O2","O=C(Nc1cnccc1C)Cc1cccc(O)c1;Cc1ccncc1NC(=O)Cc2cccc(O)c2;Cc1ccncc1NC(=O)Cc2cccc(c2)O","InChI=1S/C14H14N2O2/c1-10-5-6-15-9-13(10)16-14(18)8-11-3-2-4-12(17)7-11/h2-7,9,17H,8H2,1H3,(H,16,18)","","2023-08-14","2023-11-03","2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["XVV","diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C35 H50 N3 O11 P S2","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc5ncsc5c4)cc1)OCC;CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C35H50N3O11PS2/c1-5-24(6-2)19-38(52(42,43)27-13-14-29-33(18-27)51-22-36-29)20-31(39)30(37-35(40)49-32-21-45-34-28(32)15-16-44-34)17-25-9-11-26(12-10-25)46-23-50(41,47-7-3)48-8-4/h9-14,18,22,24,28,30-32,34,39H,5-8,15-17,19-21,23H2,1-4H3,(H,37,40)/t28-,30-,31+,32-,34+/m0/s1","","2021-01-15","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["XVW","5-fluoro-6-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}pyridine-3-sulfonamide","C23 H25 F4 N7 O3 S2","NS(=O)(=O)c1cc(F)c(nc1)SC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCC(CC3)Sc4ncc(cc4F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)Sc4c(cc(cn4)S(=O)(=O)N)F)C(F)(F)F","InChI=1S/C23H25F4N7O3S2/c1-14-30-32-34(31-14)13-16-10-17(23(25,26)27)4-2-15(16)3-5-21(35)33-8-6-18(7-9-33)38-22-20(24)11-19(12-29-22)39(28,36)37/h2,4,10-12,18H,3,5-9,13H2,1H3,(H2,28,36,37)","","2023-06-08","2024-12-13","5-fluoro-6-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}pyridine-3-sulfonamide","2024-12-18"],["A1BHA","4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine","C14 H18 N6 O2","COc1nc(nc(COc2cncnc2)c1)N1CCNCC1;COc1cc(COc2cncnc2)nc(n1)N3CCNCC3;COc1cc(nc(n1)N2CCNCC2)COc3cncnc3","InChI=1S/C14H18N6O2/c1-21-13-6-11(9-22-12-7-16-10-17-8-12)18-14(19-13)20-4-2-15-3-5-20/h6-8,10,15H,2-5,9H2,1H3","","2024-11-11","2025-02-21","4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine","2025-02-26"],["KXG","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate","C15 H23 N5 O13 P2 S","C2(C(C(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)S)O)O)O2)O)O)n4c3c(c(ncn3)N)nc4;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](S)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)S)O)O)O)O)N","InChI=1S/C15H23N5O13P2S/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(36)32-6/h3-6,8-11,14-15,21-24,36H,1-2H2,(H,25,26)(H,27,28)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2019-01-23","2020-01-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-sulfanyltetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2020-01-22"],["KXH","ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate","C16 H19 Cl2 N3 O2","CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2;CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN","InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3","","2019-07-03","2020-07-17","ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate","2020-07-22"],["XVY","diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C35 H53 N2 O12 P S","C(C(NC(OC1C2C(OC1)OCC2)=O)Cc3ccc(OCP(OCC)(OCC)=O)cc3)(CN(CC(CC)CC)S(c4ccc(cc4)CO)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc(CO)cc4)cc1)OCC;CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1S/C35H53N2O12PS/c1-5-25(6-2)20-37(51(42,43)29-15-11-27(22-38)12-16-29)21-32(39)31(36-35(40)49-33-23-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-24-50(41,47-7-3)48-8-4/h9-16,25,30-34,38-39H,5-8,17-24H2,1-4H3,(H,36,40)/t30-,31-,32+,33-,34+/m0/s1","","2021-01-15","2022-01-21","diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["A1BHB","N-[(8S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]quinoline-5-carboxamide","C16 H15 N5 O","O=C(Nc1cnn2CCNCc12)c1cccc2ncccc21;O=C(Nc1cnn2CCNCc12)c3cccc4ncccc34;c1cc(c2cccnc2c1)C(=O)Nc3cnn4c3CNCC4","InChI=1S/C16H15N5O/c22-16(12-3-1-5-13-11(12)4-2-6-18-13)20-14-9-19-21-8-7-17-10-15(14)21/h1-6,9,17H,7-8,10H2,(H,20,22)","","2024-11-11","2025-05-23","N-[(8S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]quinoline-5-carboxamide","2025-05-28"],["XVZ","6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine","C16 H19 F2 N3","Cc1cc(CCc2cc(CCN)cc(F)c2F)nc(N)c1;Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN","InChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21)","","2022-12-13","2023-10-06","6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine","2023-10-11"],["A1BHC","3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide","C21 H28 Cl N3 O3","Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O)NC(C)(C)CO;CN(C)Cc1cc(CNc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO)ccc1O;CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NCc2ccc(c(c2)CN(C)C)O","InChI=1S/C21H28ClN3O3/c1-21(2,13-26)24-20(28)15-8-17(22)10-18(9-15)23-11-14-5-6-19(27)16(7-14)12-25(3)4/h5-10,23,26-27H,11-13H2,1-4H3,(H,24,28)","","2024-11-11","2025-02-21","3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide","2025-02-26"],["KXJ","N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide","C31 H53 N3 O4 S","C(Nc1ccccc1)(=O)C(CCCCNC(CCCCCCCCCCCCC)=S)NC(=O)CCOCCO;CCCCCCCCCCCCCC(=S)NCCCC[CH](NC(=O)CCOCCO)C(=O)Nc1ccccc1;CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)Nc1ccccc1)NC(=O)CCOCCO","InChI=1S/C31H53N3O4S/c1-2-3-4-5-6-7-8-9-10-11-15-21-30(39)32-23-17-16-20-28(34-29(36)22-25-38-26-24-35)31(37)33-27-18-13-12-14-19-27/h12-14,18-19,28,35H,2-11,15-17,20-26H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t28-/m0/s1","","2019-01-23","2020-01-17","N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide","2020-01-22"],["A1BHF","2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine","C27 H23 F6 N9 O","FC(F)(F)c1nc(n(C)c1)c1ccc(cc1)CN1c2nc(ncc2N(CC(F)(F)F)C1=N)c1c(ncnc1OC)C1CC1;COc1ncnc(C2CC2)c1c3ncc4N(CC(F)(F)F)C(=N)N(Cc5ccc(cc5)c6nc(cn6C)C(F)(F)F)c4n3;Cn1cc(nc1c2ccc(cc2)CN3c4c(cnc(n4)c5c(ncnc5OC)C6CC6)N(C3=N)CC(F)(F)F)C(F)(F)F","InChI=1S/C27H23F6N9O/c1-40-11-18(27(31,32)33)38-22(40)16-5-3-14(4-6-16)10-41-23-17(42(25(41)34)12-26(28,29)30)9-35-21(39-23)19-20(15-7-8-15)36-13-37-24(19)43-2/h3-6,9,11,13,15,34H,7-8,10,12H2,1-2H3","","2024-11-14","2025-01-24","2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine","2025-01-29"],["KXK","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C24 H31 N3 O5 S","COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4;Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O","InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29)","","2019-07-03","2020-12-04","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["XW1","(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid","C9 H17 N O4","O=C(OCC)CCCCC(C(=O)O)N;CCOC(=O)CCCC[CH](N)C(O)=O;CCOC(=O)CCCCC(C(=O)O)N","InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1","","2011-06-14","2024-09-27","(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid",""],["KXL","(2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide","C22 H28 N4 O4","CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2;CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NCCc2ccccn2)O","InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1","","2022-06-07","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide","2023-11-29"],["XW2","5-(1-acetylpiperidin-4-yl)-4-{(E)-[3,5-bis(trifluoromethyl)phenyl]diazenyl}-1,2-dihydro-3H-pyrazol-3-one","C18 H17 F6 N5 O2","FC(F)(F)c1cc(cc(c1)C(F)(F)F)/N=N/C=1C(=O)NNC=1C1CCN(CC1)C(C)=O;CC(=O)N1CCC(CC1)C2=C(N=Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)NN2;CC(=O)N1CCC(CC1)C2=C(C(=O)NN2)N=Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F","InChI=1S/C18H17F6N5O2/c1-9(30)29-4-2-10(3-5-29)14-15(16(31)28-26-14)27-25-13-7-11(17(19,20)21)6-12(8-13)18(22,23)24/h6-8,10H,2-5H2,1H3,(H2,26,28,31)/b27-25+","","2023-06-08","2024-12-13","5-(1-acetylpiperidin-4-yl)-4-{(E)-[3,5-bis(trifluoromethyl)phenyl]diazenyl}-1,2-dihydro-3H-pyrazol-3-one","2024-12-18"],["KXM","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C35 H43 N9 O15 P2","c14cc(c(cc1N(CCc2ccccc2)C3C(NC(N=C3N4CC(O)C(C(O)COP(O)(=O)OP(=O)(O)OCC7C(C(C(n6cnc5c(ncnc56)N)O7)O)O)O)=O)=O)C)C;Cc1cc2N(CCc3ccccc3)[CH]4C(=O)NC(=O)N=C4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2CCc4ccccc4)CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O","InChI=1S/C35H43N9O15P2/c1-17-10-20-21(11-18(17)2)43(32-26(33(50)41-35(51)40-32)42(20)9-8-19-6-4-3-5-7-19)12-22(45)27(47)23(46)13-56-60(52,53)59-61(54,55)57-14-24-28(48)29(49)34(58-24)44-16-39-25-30(36)37-15-38-31(25)44/h3-7,10-11,15-16,22-24,26-29,34,45-49H,8-9,12-14H2,1-2H3,(H,52,53)(H,54,55)(H2,36,37,38)(H,41,50,51)/t22-,23-,24-,26-,27-,28-,29-,34-/m1/s1","","2019-01-23","2019-07-12","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2019-07-17"],["A1BHR","2-[1-(1,4-diazepan-1-yl)naphthalen-2-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide","C29 H29 N5 O2 S","Cc1nc(NC(=O)c2cccc3CN(c4ccc5ccccc5c4N4CCCNCC4)C(=O)c32)sc1C;Cc1sc(NC(=O)c2cccc3CN(C(=O)c23)c4ccc5ccccc5c4N6CCCNCC6)nc1C;Cc1c(sc(n1)NC(=O)c2cccc3c2C(=O)N(C3)c4ccc5ccccc5c4N6CCCNCC6)C","InChI=1S/C29H29N5O2S/c1-18-19(2)37-29(31-18)32-27(35)23-10-5-8-21-17-34(28(36)25(21)23)24-12-11-20-7-3-4-9-22(20)26(24)33-15-6-13-30-14-16-33/h3-5,7-12,30H,6,13-17H2,1-2H3,(H,31,32,35)","","2024-11-20","2025-11-21","2-[1-(1,4-diazepan-1-yl)naphthalen-2-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide","2025-11-26"],["XW3","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C24 H22 Cl F N6 O3","CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5ncccc5F;CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4c(cccn4)F)CC5OCC(CO5)N","InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)/t15-,20-","","2023-11-14","2024-03-22","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2024-03-27"],["XW4","diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C35 H51 N2 O13 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc5OCOc5c4)cc1)OCC;CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C35H51N2O13PS/c1-5-24(6-2)19-37(52(41,42)27-13-14-31-32(18-27)46-22-45-31)20-30(38)29(36-35(39)50-33-21-44-34-28(33)15-16-43-34)17-25-9-11-26(12-10-25)47-23-51(40,48-7-3)49-8-4/h9-14,18,24,28-30,33-34,38H,5-8,15-17,19-23H2,1-4H3,(H,36,39)/t28-,29-,30+,33-,34+/m0/s1","","2021-01-15","2022-01-21","diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-01-26"],["KXN","(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","C15 H14 O6","Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O;O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3;c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O","InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1","","2008-07-25","2011-06-04","(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",""],["A1BHU","(3S,3aS,4S,7R,8aS)-3-methylhexahydro-1H,3H-3a,7-epoxycyclohepta[c]furan-4-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H44 N2 O8 S","COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1CCC2CC3COC(C)C13O2;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CC[CH]4C[CH]5CO[CH](C)[C]35O4;CC1C23C(CCC(O2)CC3CO1)OC(=O)NC(Cc4ccccc4)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O","InChI=1S/C32H44N2O8S/c1-21(2)18-34(43(37,38)27-13-10-25(39-4)11-14-27)19-29(35)28(16-23-8-6-5-7-9-23)33-31(36)41-30-15-12-26-17-24-20-40-22(3)32(24,30)42-26/h5-11,13-14,21-22,24,26,28-30,35H,12,15-20H2,1-4H3,(H,33,36)/t22-,24-,26+,28-,29+,30-,32+/m0/s1","","2024-11-20","2025-01-31","(3S,3aS,4S,7R,8aS)-3-methylhexahydro-1H,3H-3a,7-epoxycyclohepta[c]furan-4-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2025-02-05"],["KXO","6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide","C19 H19 F4 N3 O","Fc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F;c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F","InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)","","2009-12-09","2011-06-04","6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide",""],["XW5","6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine","C18 H23 F2 N3 O","COc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1;COc1cc(N)nc(CCc2cc(CCN(C)C)cc(F)c2F)c1;CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)OC","InChI=1S/C18H23F2N3O/c1-23(2)7-6-12-8-13(18(20)16(19)9-12)4-5-14-10-15(24-3)11-17(21)22-14/h8-11H,4-7H2,1-3H3,(H2,21,22)","","2022-12-13","2023-10-06","6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine","2023-10-11"],["A1BHV","(3S,3aS,4R,7R,8aS)-3-methylhexahydro-1H,3H-3a,7-epoxycyclohepta[c]furan-4-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H44 N2 O8 S","COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1CCC2CC3COC(C)C13O2;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CC[CH]4C[CH]5CO[CH](C)[C]35O4;CC1C23C(CCC(O2)CC3CO1)OC(=O)NC(Cc4ccccc4)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O","InChI=1S/C32H44N2O8S/c1-21(2)18-34(43(37,38)27-13-10-25(39-4)11-14-27)19-29(35)28(16-23-8-6-5-7-9-23)33-31(36)41-30-15-12-26-17-24-20-40-22(3)32(24,30)42-26/h5-11,13-14,21-22,24,26,28-30,35H,12,15-20H2,1-4H3,(H,33,36)/t22-,24-,26+,28-,29+,30+,32+/m0/s1","","2024-11-20","2025-01-31","(3S,3aS,4R,7R,8aS)-3-methylhexahydro-1H,3H-3a,7-epoxycyclohepta[c]furan-4-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2025-02-05"],["A1BHY","N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide","C15 H17 N3 O4 S","ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(C)(=O)=O;C[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2;CS(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2","InChI=1S/C15H17N3O4S/c1-23(21,22)18(11-13-3-2-8-16-9-13)10-12-4-6-14(7-5-12)15(19)17-20/h2-9,20H,10-11H2,1H3,(H,17,19)","","2024-11-21","2024-11-29","N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide","2024-12-04"],["XW6","N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-{4-oxo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide","C25 H24 Cl2 N6 O2 S","Clc1ccc(cc1Cl)CN(C)C(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC1)c1nccs1;CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)c5sccn5;CN(Cc1ccc(c(c1)Cl)Cl)C(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)c5nccs5","InChI=1S/C25H24Cl2N6O2S/c1-30(14-17-2-4-20(26)21(27)12-17)23(34)15-33-16-29-22-5-3-18(13-19(22)24(33)35)31-7-9-32(10-8-31)25-28-6-11-36-25/h2-6,11-13,16H,7-10,14-15H2,1H3","","2023-06-08","2024-12-13","N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-{4-oxo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide","2024-12-18"],["KXP","(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate","C47 H85 O19 P3","C(OC(CCCCCCCCCCCCCCCCC)=O)C(COP(=O)(O)OC1C(O)C(C(C(C1O)OP(O)(O)=O)OP(O)(O)=O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/t39-,42+,43-,44-,45+,46+,47+/m0/s1","","2019-01-23","2019-02-15","(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate","2019-02-20"],["KXQ","1~{H}-indole-7-carboxylic acid","C9 H7 N O2","OC(=O)c1cccc2cc[nH]c12;c1cc2cc[nH]c2c(c1)C(=O)O","InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)","","2019-07-03","2020-07-10","1~{H}-indole-7-carboxylic acid","2020-07-15"],["XW7","valbenazine","C24 H38 N2 O4","COc1cc2CCN3C[CH](CC(C)C)[CH](C[CH]3c2cc1OC)OC(=O)[CH](N)C(C)C;CC(C)CC1CN2CCc3cc(c(cc3C2CC1OC(=O)C(C(C)C)N)OC)OC","InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1","[(2~{R},3~{R},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl] (2~{S})-2-azanyl-3-methyl-butanoate","2023-11-14","2025-01-10","[(2~{R},3~{R},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl] (2~{S})-2-azanyl-3-methyl-butanoate","2025-01-15"],["XW9","[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone","C28 H33 N5 O6","O=C(c1cc(nc(OCC2CCOCC2)c1)C1CC1)N1CC=2CN(CC=2C1)C(=O)N1Cc2onc(O)c2CC1;Oc1noc2CN(CCc12)C(=O)N3CC4=C(C3)CN(C4)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CN(C5)C(=O)N6CCc7c(onc7O)C6","InChI=1S/C28H33N5O6/c34-26-22-3-6-31(15-24(22)39-30-26)28(36)33-13-20-11-32(12-21(20)14-33)27(35)19-9-23(18-1-2-18)29-25(10-19)38-16-17-4-7-37-8-5-17/h9-10,17-18H,1-8,11-16H2,(H,30,34)","","2023-06-08","2024-12-13","[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone","2024-12-18"],["KXR","N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide","C15 H13 F N4 O3","Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1;Fc1cc(NC(=O)Cc2cncnc2)cc(O[CH]3CC(=O)N3)c1;c1c(cc(cc1OC2CC(=O)N2)F)NC(=O)Cc3cncnc3","InChI=1S/C15H13FN4O3/c16-10-2-11(4-12(3-10)23-15-5-14(22)20-15)19-13(21)1-9-6-17-8-18-7-9/h2-4,6-8,15H,1,5H2,(H,19,21)(H,20,22)/t15-/m0/s1","","2023-08-14","2023-11-03","N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide","2023-11-08"],["KXS","(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide","C18 H27 N O2","c1c(ccc(c1)OC)NC(C2C(CCC(C)C2)C(C)C)=O;COc1ccc(NC(=O)[CH]2C[CH](C)CC[CH]2C(C)C)cc1;CC1CCC(C(C1)C(=O)Nc2ccc(cc2)OC)C(C)C","InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1","","2019-01-23","2019-02-15","(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide","2019-02-20"],["XWA","1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea","C32 H37 N7 O3","COc1ccc(N(C(=O)Nc2c(C)cccc2C)c3cc(Nc4ccc(cc4)N5CCN(C)CC5)ncn3)c(OC)c1;Cc1cccc(c1NC(=O)N(c2ccc(cc2OC)OC)c3cc(ncn3)Nc4ccc(cc4)N5CCN(CC5)C)C","InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)","","2023-11-14","2024-03-22","1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea","2024-03-27"],["XWC","(5M)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C16 H20 N4 O3","O=C1NN=C(N1C)c1cc(c(nc1)OC1CCOCC1)C1CC1;CN1C(=O)NN=C1c2cnc(OC3CCOCC3)c(c2)C4CC4;CN1C(=NNC1=O)c2cc(c(nc2)OC3CCOCC3)C4CC4","InChI=1S/C16H20N4O3/c1-20-14(18-19-16(20)21)11-8-13(10-2-3-10)15(17-9-11)23-12-4-6-22-7-5-12/h8-10,12H,2-7H2,1H3,(H,19,21)","","2023-06-08","2024-12-13","(5M)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["A1BIA","N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C27 H38 N6 O2 S","O=C1NC2C(CCCCC(=O)NCCCN(CCc3ccccn3)CCc3ccccn3)SCC2N1;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCN(CCc3ccccn3)CCc4ccccn4;c1ccnc(c1)CCN(CCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)CCc4ccccn4","InChI=1S/C27H38N6O2S/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22/h3-6,8-9,14-15,23-24,26H,1-2,7,10-13,16-20H2,(H,30,34)(H2,31,32,35)/t23-,24-,26-/m1/s1","","2024-11-22","2025-11-14","N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2025-11-19"],["KXT","2,6-diphenylimidazo[1,2-a]pyridine","C19 H14 N2","c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4;c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4","InChI=1S/C19H14N2/c1-3-7-15(8-4-1)17-11-12-19-20-18(14-21(19)13-17)16-9-5-2-6-10-16/h1-14H","","2019-07-03","2020-04-17","2,6-diphenylimidazo[1,2-a]pyridine","2020-04-22"],["A1BIE","N~6~-(2-methylprop-2-enoyl)-L-lysine","C10 H18 N2 O3","NC(CCCCNC(=O)C(=C)C)C(=O)O;CC(=C)C(=O)NCCCC[CH](N)C(O)=O;CC(=C)C(=O)NCCCCC(C(=O)O)N","InChI=1S/C10H18N2O3/c1-7(2)9(13)12-6-4-3-5-8(11)10(14)15/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1","","2024-11-25","2025-04-04","N~6~-(2-methylprop-2-enoyl)-L-lysine","2025-04-09"],["XWD","4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one","C21 H17 F2 N5 O2","Fc1ccc(cc1)N2CCC[CH](CC2=O)c3onc(n3)c4ccc(F)c5c[nH]nc45;c1cc(ccc1N2CCCC(CC2=O)c3nc(no3)c4ccc(c5c4n[nH]c5)F)F","InChI=1S/C21H17F2N5O2/c22-13-3-5-14(6-4-13)28-9-1-2-12(10-18(28)29)21-25-20(27-30-21)15-7-8-17(23)16-11-24-26-19(15)16/h3-8,11-12H,1-2,9-10H2,(H,24,26)/t12-/m1/s1","","2023-11-14","2025-12-15","(4~{R})-4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one","2024-11-20"],["KXU","5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide","C18 H19 N5 O2 S","O=C(c1noc(c1)CSc2nc(cc(n2)C)C)NCc3ccnc(c3)C;Cc1cc(CNC(=O)c2cc(CSc3nc(C)cc(C)n3)on2)ccn1;Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C","InChI=1S/C18H19N5O2S/c1-11-7-14(4-5-19-11)9-20-17(24)16-8-15(25-23-16)10-26-18-21-12(2)6-13(3)22-18/h4-8H,9-10H2,1-3H3,(H,20,24)","","2014-08-05","2015-09-25","5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide","2015-09-30"],["XWF","5-tert-butyl-2-methyl-4-{[5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]methoxy}benzonitrile","C18 H24 N4 O2","CC(C)(C)c1cc(C#N)c(C)cc1OCC1=NNC(=O)N1C(C)C;CC(C)N1C(=O)NN=C1COc2cc(C)c(cc2C(C)(C)C)C#N;Cc1cc(c(cc1C#N)C(C)(C)C)OCC2=NNC(=O)N2C(C)C","InChI=1S/C18H24N4O2/c1-11(2)22-16(20-21-17(22)23)10-24-15-7-12(3)13(9-19)8-14(15)18(4,5)6/h7-8,11H,10H2,1-6H3,(H,21,23)","","2023-06-08","2024-12-13","5-tert-butyl-2-methyl-4-{[5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]methoxy}benzonitrile","2024-12-18"],["KXV","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ac\netic acid","C15 H17 N3 O5 S","NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)OC)O;COc1cc(ccc1O)C=C2N=C([CH](N)CS)N(CC(O)=O)C2=O;COc1cc(ccc1O)C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O","InChI=1S/C15H17N3O5S/c1-23-12-5-8(2-3-11(12)19)4-10-15(22)18(6-13(20)21)14(17-10)9(16)7-24/h2-5,9,19,24H,6-7,16H2,1H3,(H,20,21)/b10-4-/t9-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)-3-OMeY","2019-01-23","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["A1BIR","(3aS,12bR)-asenapine","C17 H16 Cl N O","Clc1cc2C3CN(C)CC3c3ccccc3Oc2cc1;CN1C[CH]2[CH](C1)c3cc(Cl)ccc3Oc4ccccc24;CN1CC2c3ccccc3Oc4ccc(cc4C2C1)Cl","InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1","(3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole","2024-12-01","2025-08-08","(3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole","2025-08-13"],["XWG","(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE","C25 H32 Cl N4 O4 S","OCC[N+]1(CCCC1)CCCN2C(=O)[CH]3[CH]4CCCN4[CH]([CH]3C2=O)c5cc(on5)c6sc(Cl)cc6;c1cc(sc1c2cc(no2)C3C4C(C5N3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl","InChI=1S/C25H32ClN4O4S/c26-20-7-6-19(35-20)18-15-16(27-34-18)23-22-21(17-5-3-8-28(17)23)24(32)29(25(22)33)9-4-12-30(13-14-31)10-1-2-11-30/h6-7,15,17,21-23,31H,1-5,8-14H2/q+1/t17-,21-,22-,23-/m0/s1","","2011-01-13","2011-12-23","(3aS,4R,5S,8aS,8bR)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione",""],["KXW","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid","C22 H31 N9 O5","N[CH](CCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1ccnc(c1)NCCCN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C22H31N9O5/c23-13(22(34)35)5-9-30(8-3-7-26-15-4-1-2-6-25-15)10-14-17(32)18(33)21(36-14)31-12-29-16-19(24)27-11-28-20(16)31/h1-2,4,6,11-14,17-18,21,32-33H,3,5,7-10,23H2,(H,25,26)(H,34,35)(H2,24,27,28)/t13-,14+,17+,18+,21+/m0/s1","","2019-07-04","2020-02-28","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid","2020-03-04"],["KXX","(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone","C43 H69 N O12","OC1CCC(CC1OC)C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC(C)CC(C)=CC(CC)C(=O)CC(O)C1C)OC)C(CC2C)OC;CC[CH]1C=C(C)C[CH](C)C[CH](OC)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](O)[CH](C4)OC;CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C","InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1","","2022-02-21","2022-07-22","(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone","2022-07-27"],["A1BIU","(2S)-amino(4-chlorophenyl)acetic acid","C8 H8 Cl N O2","NC(c1ccc(Cl)cc1)C(=O)O;N[CH](C(O)=O)c1ccc(Cl)cc1;c1cc(ccc1C(C(=O)O)N)Cl","InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1","","2024-12-01","2026-02-14","(2S)-amino(4-chlorophenyl)acetic acid","2025-09-24"],["XWH","4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine","C9 H6 F3 N3","FC(F)(F)c1cc([NH]n1)c1ccncc1;FC(F)(F)c1cc([nH]n1)c2ccncc2;c1cnccc1c2cc(n[nH]2)C(F)(F)F","InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)","","2023-11-14","2024-02-09","4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine","2024-02-14"],["KXY","(2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide","C37 H37 F2 N7 O2 S","Cc1c(cc(C(F)F)c2cn(nc12)[CH](C(=O)Nc3sccn3)c4ncn5c4CCC56CC6)C#Cc7ccc(CN8CCC(CO)CC8)cc7;Cc1c(cc(c2c1nn(c2)C(c3c4n(cn3)C5(CC4)CC5)C(=O)Nc6nccs6)C(F)F)C#Cc7ccc(cc7)CN8CCC(CC8)CO","InChI=1S/C37H37F2N7O2S/c1-23-27(7-6-24-2-4-25(5-3-24)19-44-15-9-26(21-47)10-16-44)18-28(34(38)39)29-20-46(43-31(23)29)33(35(48)42-36-40-14-17-49-36)32-30-8-11-37(12-13-37)45(30)22-41-32/h2-5,14,17-18,20,22,26,33-34,47H,8-13,15-16,19,21H2,1H3,(H,40,42,48)/t33-/m1/s1","","2022-06-07","2022-10-14","(2~{R})-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-~{N}-(1,3-thiazol-2-yl)ethanamide","2022-10-19"],["XWJ","N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide","C25 H25 N5 O2","Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4;Cn1nc(c2ccc(N)cc2C)c3cc(ccc13)C(=O)Nc4ccc(C)c(NC(C)=O)c4;Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N","InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)","","2021-01-15","2021-06-25","N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide","2021-06-30"],["KXZ","3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid","C19 H21 Cl N2 O3","OC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2;c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O","InChI=1S/C19H21ClN2O3/c20-17-11-14(7-8-16(17)15-5-2-1-3-6-15)13-21-9-4-10-22-18(23)12-19(24)25/h1-3,5-8,11,21H,4,9-10,12-13H2,(H,22,23)(H,24,25)","","2016-12-14","2017-05-19","3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid","2017-05-24"],["XWK","2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide","C25 H25 Cl N6 O3","O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C=Nc2cc1;CN(Cc1ccc(C#N)c(Cl)c1)C(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(C)=O;CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3)CC(=O)N(C)Cc4ccc(c(c4)Cl)C#N","InChI=1S/C25H25ClN6O3/c1-17(33)30-7-9-31(10-8-30)20-5-6-23-21(12-20)25(35)32(16-28-23)15-24(34)29(2)14-18-3-4-19(13-27)22(26)11-18/h3-6,11-12,16H,7-10,14-15H2,1-2H3","","2023-06-08","2024-12-13","2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide","2024-12-18"],["A1BIY","(2S)-2-amino-2-(4-chlorophenyl)-N-methylacetamide","C9 H11 Cl N2 O","NC(c1ccc(Cl)cc1)C(=O)NC;CNC(=O)[CH](N)c1ccc(Cl)cc1;CNC(=O)C(c1ccc(cc1)Cl)N","InChI=1S/C9H11ClN2O/c1-12-9(13)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3,(H,12,13)/t8-/m0/s1","","2024-12-02","2026-02-14","(2S)-2-amino-2-(4-chlorophenyl)-N-methylacetamide","2025-09-24"],["A1BIZ","4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide","C27 H25 F3 N8 O3","FC(F)(F)Oc1cc(ncc1)NC(=O)c1ccc(cc1)c1nn(c2ncnc(N)c21)C1CCCN(C1)C(=O)C1CC1;Nc1ncnc2n(nc(c3ccc(cc3)C(=O)Nc4cc(OC(F)(F)F)ccn4)c12)[CH]5CCCN(C5)C(=O)C6CC6;c1cc(ccc1c2c3c(ncnc3n(n2)C4CCCN(C4)C(=O)C5CC5)N)C(=O)Nc6cc(ccn6)OC(F)(F)F","InChI=1S/C27H25F3N8O3/c28-27(29,30)41-19-9-10-32-20(12-19)35-25(39)16-5-3-15(4-6-16)22-21-23(31)33-14-34-24(21)38(36-22)18-2-1-11-37(13-18)26(40)17-7-8-17/h3-6,9-10,12,14,17-18H,1-2,7-8,11,13H2,(H2,31,33,34)(H,32,35,39)/t18-/m1/s1","","2024-12-02","2025-08-08","4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide","2025-08-13"],["XWN","(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-c]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile","C23 H16 Cl F N4 O2","Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2cnccc21;Fc1ccc(OC2CC2)cc1c3cc(C#N)c(Cl)cc3OCc4n[nH]c5cnccc45;c1cc(c(cc1OC2CC2)c3cc(c(cc3OCc4c5ccncc5[nH]n4)Cl)C#N)F","InChI=1S/C23H16ClFN4O2/c24-19-9-23(30-12-22-16-5-6-27-11-21(16)28-29-22)18(7-13(19)10-26)17-8-15(3-4-20(17)25)31-14-1-2-14/h3-9,11,14H,1-2,12H2,(H,28,29)","","2023-06-08","2024-12-13","(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-c]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile","2024-12-18"],["KY0","1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide","C16 H15 Cl N2 O","O=C(Nc1cnccc1C)C1(CC1)c1cccc(Cl)c1;Cc1ccncc1NC(=O)C2(CC2)c3cccc(Cl)c3;Cc1ccncc1NC(=O)C2(CC2)c3cccc(c3)Cl","InChI=1S/C16H15ClN2O/c1-11-5-8-18-10-14(11)19-15(20)16(6-7-16)12-3-2-4-13(17)9-12/h2-5,8-10H,6-7H2,1H3,(H,19,20)","","2023-08-14","2023-11-03","1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide","2023-11-08"],["XWO","N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","C28 H34 N6 O2","Cn1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C;C[CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(cc(c2)c3cnn(C)c3)c4cnn(C)c4;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cnn(c3)C)c4cnn(c4)C)OCCN(C)C","InChI=1S/C28H34N6O2/c1-19-7-8-26(36-10-9-32(3)4)14-27(19)28(35)31-20(2)21-11-22(24-15-29-33(5)17-24)13-23(12-21)25-16-30-34(6)18-25/h7-8,11-18,20H,9-10H2,1-6H3,(H,31,35)","","2023-11-14","2024-03-29","N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","2024-04-03"],["A1BJA","[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone","C19 H18 Cl2 N4 O3","OCCOc1cnc(nc1)C(=O)N1CCc2[NH]c3c(Cl)c(Cl)ccc3c2C1C;C[CH]1N(CCc2[nH]c3c(Cl)c(Cl)ccc3c12)C(=O)c4ncc(OCCO)cn4;CC1c2c3ccc(c(c3[nH]c2CCN1C(=O)c4ncc(cn4)OCCO)Cl)Cl","InChI=1S/C19H18Cl2N4O3/c1-10-15-12-2-3-13(20)16(21)17(12)24-14(15)4-5-25(10)19(27)18-22-8-11(9-23-18)28-7-6-26/h2-3,8-10,24,26H,4-7H2,1H3/t10-/m0/s1","","2024-12-06","2024-12-27","[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone","2025-01-01"],["KY1","4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID","C10 H11 N O3","O=C(c1ccccc1N)CCC(=O)O;Nc1ccccc1C(=O)CCC(O)=O;c1ccc(c(c1)C(=O)CCC(=O)O)N","InChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)","","2006-03-10","2011-06-04","4-(2-aminophenyl)-4-oxobutanoic acid",""],["A1BJB","(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid","C25 H25 B N4 O10","O=C(O)c1ccc(cc1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O;CCN1CCN(C(=O)N[CH](C(=O)N[CH]2Cc3cccc(C(O)=O)c3OB2O)c4ccc(cc4)C(O)=O)C(=O)C1=O;B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)C(c3ccc(cc3)C(=O)O)NC(=O)N4CCN(C(=O)C4=O)CC)O","InChI=1S/C25H25BN4O10/c1-2-29-10-11-30(22(33)21(29)32)25(38)28-18(13-6-8-14(9-7-13)23(34)35)20(31)27-17-12-15-4-3-5-16(24(36)37)19(15)40-26(17)39/h3-9,17-18,39H,2,10-12H2,1H3,(H,27,31)(H,28,38)(H,34,35)(H,36,37)/t17-,18+/m0/s1","","2024-12-06","2025-01-17","(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid","2025-01-22"],["XWP","N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide","C32 H30 N6 O3","CNC(c1ccc(cc1)C(Nc2cc(ccc2C)NC(c5ccc4c(c(c3ccc(cc3C)N)nn4C)c5)=O)=O)=O;CNC(=O)c1ccc(cc1)C(=O)Nc2cc(NC(=O)c3ccc4n(C)nc(c5ccc(N)cc5C)c4c3)ccc2C;Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N","InChI=1S/C32H30N6O3/c1-18-5-12-24(17-27(18)36-31(40)21-8-6-20(7-9-21)30(39)34-3)35-32(41)22-10-14-28-26(16-22)29(37-38(28)4)25-13-11-23(33)15-19(25)2/h5-17H,33H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)","","2021-01-17","2021-06-25","N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide","2021-06-30"],["KY2","1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine","C17 H30 N10 O3","NCCCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCN)CCCNC(=N)N)O)O)N","InChI=1S/C17H30N10O3/c18-3-1-5-26(6-2-4-22-17(20)21)7-10-12(28)13(29)16(30-10)27-9-25-11-14(19)23-8-24-15(11)27/h8-10,12-13,16,28-29H,1-7,18H2,(H2,19,23,24)(H4,20,21,22)/t10-,12-,13-,16-/m1/s1","","2019-07-04","2020-02-28","1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine","2020-03-04"],["KY3","(1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid","C13 H18 O4 S","CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc2;COC1CC(C(CC1c2cccs2)C(=O)O)OC","InChI=1S/C13H18O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-5,8-11H,6-7H2,1-2H3,(H,14,15)/t8-,9+,10+,11+/m1/s1","","2019-11-27","2020-08-07","(1~{S},2~{S},4~{S},5~{R})-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid","2020-08-12"],["XWR","(3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C14 H16 Cl2 N2 O2","Clc1cc(cc(Cl)c1)COC(=O)N1CC2CNCC2C1;Clc1cc(Cl)cc(COC(=O)N2C[CH]3CNC[CH]3C2)c1;c1c(cc(cc1Cl)Cl)COC(=O)N2CC3CNCC3C2","InChI=1S/C14H16Cl2N2O2/c15-12-1-9(2-13(16)3-12)8-20-14(19)18-6-10-4-17-5-11(10)7-18/h1-3,10-11,17H,4-8H2/t10-,11+","","2023-06-08","2024-12-13","(3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["XWS","(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol","C10 H14 N2 O2","N1(CCC(NC1O)O)c2ccccc2;O[CH]1CCN([CH](O)N1)c2ccccc2;c1ccc(cc1)N2CCC(NC2O)O","InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-/m1/s1","","2021-01-18","2021-01-29","(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol","2021-02-03"],["KY4","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C14 H13 F2 N3 O4 S","NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2c(F)c(F)c(cc2)O;N[CH](CS)C1=NC(=Cc2ccc(O)c(F)c2F)C(=O)N1CC(O)=O;c1cc(c(c(c1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)F)F)O","InChI=1S/C14H13F2N3O4S/c15-11-6(1-2-9(20)12(11)16)3-8-14(23)19(4-10(21)22)13(18-8)7(17)5-24/h1-3,7,20,24H,4-5,17H2,(H,21,22)/b8-3-/t7-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)-2,3-F","2019-01-23","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["A1BJQ","5-ethyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C14 H19 F3 N4","FC(F)(F)CC(C)(C)CNc1ncnc2[NH]cc(CC)c21;CCc1c[nH]c2ncnc(NCC(C)(C)CC(F)(F)F)c12;CCc1c[nH]c2c1c(ncn2)NCC(C)(C)CC(F)(F)F","InChI=1S/C14H19F3N4/c1-4-9-5-18-11-10(9)12(21-8-20-11)19-7-13(2,3)6-14(15,16)17/h5,8H,4,6-7H2,1-3H3,(H2,18,19,20,21)","","2024-12-09","2025-08-15","5-ethyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2025-08-20"],["KY5","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol","C21 H31 N9 O3","NCCCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1ccnc(c1)NCCCN(CCCN)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C21H31N9O3/c22-6-3-9-29(10-4-8-25-15-5-1-2-7-24-15)11-14-17(31)18(32)21(33-14)30-13-28-16-19(23)26-12-27-20(16)30/h1-2,5,7,12-14,17-18,21,31-32H,3-4,6,8-11,22H2,(H,24,25)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1","","2019-07-04","2020-02-28","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol","2020-03-04"],["XWV","5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline","C22 H25 N5 O2 S","C1(N(CCOC1)c5cc(C2(CC2)S(C)(=N)=O)nc(c4cccc3c4ccnc3)n5)C;C[CH]1COCCN1c2cc(nc(n2)c3cccc4cnccc34)C5(CC5)[S](C)(=N)=O;CC1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)S(=N)(=O)C","InChI=1S/C22H25N5O2S/c1-15-14-29-11-10-27(15)20-12-19(22(7-8-22)30(2,23)28)25-21(26-20)18-5-3-4-16-13-24-9-6-17(16)18/h3-6,9,12-13,15,23H,7-8,10-11,14H2,1-2H3/t15-,30-/m1/s1","","2021-01-18","2021-07-09","5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline","2021-07-14"],["XWW","N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine","C17 H21 F N10 O","Fc1cnc(nc1)C(Nc2nc(nc(n2)Nc3ncn(c3)C)N4CCOCC4)C;C[CH](Nc1nc(Nc2cn(C)cn2)nc(n1)N3CCOCC3)c4ncc(F)cn4;CC(c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C","InChI=1S/C17H21FN10O/c1-11(14-19-7-12(18)8-20-14)22-15-24-16(23-13-9-27(2)10-21-13)26-17(25-15)28-3-5-29-6-4-28/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1","","2013-09-17","2014-04-29","N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N'-(1-methyl-1H-imidazol-4-yl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine","2014-01-08"],["KY6","4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile","C21 H17 N3 O S","OCCN(C)c1ccc2cc(C=C(/C#N)c3ccc(C#N)cc3)sc2c1;CN(CCO)c1ccc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N;CN(CCO)c1ccc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N","InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+","","2022-02-21","2022-08-26","4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile","2022-08-31"],["A1BJU","1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid","C10 H8 Br Cl O2","OC(=O)C1(CC1)c1cc(Br)c(Cl)cc1;OC(=O)C1(CC1)c2ccc(Cl)c(Br)c2;c1cc(c(cc1C2(CC2)C(=O)O)Br)Cl","InChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)","","2024-12-09","2025-08-15","1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid","2025-08-20"],["XWX","5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C17 H17 Cl N4 O3","COc1ncccc1c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C;COc1ncccc1c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C;Cc1cc(c(cc1Cl)c2cccnc2OC)OCC3=NNC(=O)N3C","InChI=1S/C17H17ClN4O3/c1-10-7-14(25-9-15-20-21-17(23)22(15)2)12(8-13(10)18)11-5-4-6-19-16(11)24-3/h4-8H,9H2,1-3H3,(H,21,23)","","2023-06-08","2024-12-13","5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["KY7","{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C14 H14 N4 O6 S","NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)[N+](=O)[O-];N[CH](CS)C1=NC(=Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)N1CC(O)=O;c1cc(c(cc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)[N+](=O)[O-])O","InChI=1S/C14H14N4O6S/c15-8(6-25)13-16-9(14(22)17(13)5-12(20)21)3-7-1-2-11(19)10(4-7)18(23)24/h1-4,8,19,25H,5-6,15H2,(H,20,21)/b9-3-/t8-/m1/s1","CHROMOPHORE (CYS-TYR-GLY)-3-NO2","2019-01-23","2024-09-27","{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["KY8","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol","C20 H30 N10 O3","NCCCN(CCCNc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cnc(nc1)NCCCN(CCCN)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C20H30N10O3/c21-4-1-8-29(9-3-7-25-20-23-5-2-6-24-20)10-13-15(31)16(32)19(33-13)30-12-28-14-17(22)26-11-27-18(14)30/h2,5-6,11-13,15-16,19,31-32H,1,3-4,7-10,21H2,(H2,22,26,27)(H,23,24,25)/t13-,15-,16-,19-/m1/s1","","2019-07-04","2020-02-28","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol","2020-03-04"],["XWY","(3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine","C23 H26 N4 O2 S","C5(N(c4cc(C1(CC1)S(C)(=N)=O)nc(c3cccc2c3cccc2)n4)CCOC5)C;C[CH]1COCCN1c2cc(nc(n2)c3cccc4ccccc34)C5(CC5)[S](C)(=N)=O;CC1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)S(=N)(=O)C","InChI=1S/C23H26N4O2S/c1-16-15-29-13-12-27(16)21-14-20(23(10-11-23)30(2,24)28)25-22(26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,14,16,24H,10-13,15H2,1-2H3/t16-,30-/m1/s1","","2021-01-18","2021-07-09","(3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine","2021-07-14"],["KY9","(2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide","C35 H33 F3 N6 O3 S","OCC1CCN(CC1)Cc2ccc(cc2)C#Cc3cc4C(=O)N(Cc4c(c3)C(F)(F)F)[CH](C(=O)Nc5sccn5)c6ncn7CCCc67;c1cc(ccc1CN2CCC(CC2)CO)C#Cc3cc4c(c(c3)C(F)(F)F)CN(C4=O)C(c5c6n(cn5)CCC6)C(=O)Nc7nccs7","InChI=1S/C35H33F3N6O3S/c36-35(37,38)28-17-25(8-5-22-3-6-23(7-4-22)18-42-13-9-24(20-45)10-14-42)16-26-27(28)19-44(33(26)47)31(32(46)41-34-39-11-15-48-34)30-29-2-1-12-43(29)21-40-30/h3-4,6-7,11,15-17,21,24,31,45H,1-2,9-10,12-14,18-20H2,(H,39,41,46)/t31-/m1/s1","","2022-06-07","2022-10-14","(2~{R})-2-(6,7-dihydro-5~{H}-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1~{H}-isoindol-2-yl]-~{N}-(1,3-thiazol-2-yl)ethanamide","2022-10-19"],["A1BJY","N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C15 H22 N4","CC1(C)CCCC1Nc1ncnc2[NH]c(C)c(C)c21;Cc1[nH]c2ncnc(N[CH]3CCCC3(C)C)c2c1C;Cc1c([nH]c2c1c(ncn2)NC3CCCC3(C)C)C","InChI=1S/C15H22N4/c1-9-10(2)18-13-12(9)14(17-8-16-13)19-11-6-5-7-15(11,3)4/h8,11H,5-7H2,1-4H3,(H2,16,17,18,19)/t11-/m1/s1","","2024-12-09","2025-08-15","N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2025-08-20"],["XWZ","5-bromopyridin-3-amine","C5 H5 Br N2","Nc1cncc(Br)c1;Nc1cncc(Br)c1;c1c(cncc1Br)N","InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2","","2023-11-14","2024-02-09","5-bromopyridin-3-amine","2024-02-14"],["KYA","4-hydroxyquinoline-2-carboxylic acid","C10 H7 N O3","O=C(O)c1nc2ccccc2c(O)c1;OC(=O)c1cc(O)c2ccccc2n1;c1ccc2c(c1)c(cc(n2)C(=O)O)O","InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","Kynurenic acid","2011-03-15","2021-03-01","4-hydroxyquinoline-2-carboxylic acid",""],["XX0","2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide","C12 H14 Cl2 N2 O4 S","C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl;ClCC(=O)Nc1ccc(Cl)c(c1)[S](=O)(=O)N2CCOCC2;c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl","InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)","","2019-07-03","2024-09-27","2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide","2019-07-24"],["XX1","N~6~-7H-PURIN-6-YL-L-LYSINE","C11 H16 N6 O2","O=C(O)C(N)CCCCNc1ncnc2ncnc12;N[CH](CCCCNc1ncnc2nc[nH]c12)C(O)=O;c1[nH]c2c(n1)ncnc2NCCCCC(C(=O)O)N","InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1","","2007-04-26","2024-09-27","N~6~-7H-purin-6-yl-L-lysine",""],["KYB","1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine","C19 H34 N10 O3","NCCCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCCCNC(=N)N)CCCN)O)O)N","InChI=1S/C19H34N10O3/c20-5-4-8-28(7-3-1-2-6-24-19(22)23)9-12-14(30)15(31)18(32-12)29-11-27-13-16(21)25-10-26-17(13)29/h10-12,14-15,18,30-31H,1-9,20H2,(H2,21,25,26)(H4,22,23,24)/t12-,14-,15-,18-/m1/s1","","2019-07-04","2020-02-28","1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine","2020-03-04"],["KYC","(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide","C16 H18 Cl N3 O","O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)N(C)C;CN(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)N(C)C","InChI=1S/C16H18ClN3O/c1-11-7-8-18-10-14(11)19-16(21)15(20(2)3)12-5-4-6-13(17)9-12/h4-10,15H,1-3H3,(H,19,21)/t15-/m0/s1","","2023-08-14","2023-11-03","(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["XX2","1-KETO,2-HYDROXY,4-NITROBENZENE, 1 ELECTRON OXIDIZED","C6 H4 N O4","O=[N+]([O-])C1=CC(O)C(=O)C=C1;O[C]1C=C(C=CC1=O)[N+]([O-])=O;C1=CC(=O)[C](C=C1[N+](=O)[O-])O","InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,6,9H/t6-/m1/s1","","2006-10-05","2023-09-23","(6R)-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one",""],["KYD","3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID","C6 H8 N2 O2","Cc1[nH]nc(C)c1C(O)=O;Cc1c(c(n[nH]1)C)C(=O)O","InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)","","2015-12-02","2015-12-18","3,5-dimethyl-1H-pyrazole-4-carboxylic acid","2015-12-23"],["XX3","(1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-5-NITROCYCLOHEXA-3,5-DIENE","C6 H5 N O6","O=[N+]([O-])C1=CC(OO)(O)C(=O)C=C1;OO[C]1(O)C=C(C=CC1=O)[N+]([O-])=O;C1=CC(=O)C(C=C1[N+](=O)[O-])(O)OO","InChI=1S/C6H5NO6/c8-5-2-1-4(7(10)11)3-6(5,9)13-12/h1-3,9,12H/t6-/m0/s1","","2006-10-05","2011-06-04","(6S)-6-hydroperoxy-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one",""],["A1BKE","(1S,2S)-N-[3,5-difluoro-4-(methanesulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide","C16 H14 F2 N2 O3 S","CS(=O)(=O)c1c(F)cc(cc1F)NC(=O)C1CC1c1cccnc1;C[S](=O)(=O)c1c(F)cc(NC(=O)[CH]2C[CH]2c3cccnc3)cc1F;CS(=O)(=O)c1c(cc(cc1F)NC(=O)C2CC2c3cccnc3)F","InChI=1S/C16H14F2N2O3S/c1-24(22,23)15-13(17)5-10(6-14(15)18)20-16(21)12-7-11(12)9-3-2-4-19-8-9/h2-6,8,11-12H,7H2,1H3,(H,20,21)/t11-,12+/m1/s1","","2024-12-09","2025-08-15","(1S,2S)-N-[3,5-difluoro-4-(methanesulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide","2025-08-20"],["XX4","3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE","C25 H30 N4 O2","O=C(c2ccc1N=C(N(Cc1c2)CCC(=O)N(C)C3CCCCC3)N)c4ccccc4;CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4;CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4","InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27)","","2007-05-31","2011-06-04","3-[2-amino-6-(phenylcarbonyl)quinazolin-3(4H)-yl]-N-cyclohexyl-N-methylpropanamide",""],["A1BKF","6-{[(3-ethylphenyl)methyl]sulfanyl}-9H-purine","C14 H14 N4 S","CCc1cccc(c1)CSc1ncnc2[NH]cnc21;CCc1cccc(CSc2ncnc3[nH]cnc23)c1;CCc1cccc(c1)CSc2c3c([nH]cn3)ncn2","InChI=1S/C14H14N4S/c1-2-10-4-3-5-11(6-10)7-19-14-12-13(16-8-15-12)17-9-18-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18)","","2024-12-09","2025-08-15","6-{[(3-ethylphenyl)methyl]sulfanyl}-9H-purine","2025-08-20"],["KYE","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid","C20 H34 N10 O5","N[CH](CCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCCCNC(=N)N)CCC(C(=O)O)N)O)O)N","InChI=1S/C20H34N10O5/c21-11(19(33)34)4-7-29(6-3-1-2-5-25-20(23)24)8-12-14(31)15(32)18(35-12)30-10-28-13-16(22)26-9-27-17(13)30/h9-12,14-15,18,31-32H,1-8,21H2,(H,33,34)(H2,22,26,27)(H4,23,24,25)/t11-,12+,14+,15+,18+/m0/s1","","2019-07-04","2020-02-28","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid","2020-03-04"],["XX5","(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID","C19 H23 Cl2 N3 O4","O=C(O)C(NC(C(=O)O)Cc1cncn1Cc2cc(Cl)cc(Cl)c2)CC(C)C;CC(C)C[CH](N[CH](Cc1cncn1Cc2cc(Cl)cc(Cl)c2)C(O)=O)C(O)=O;CC(C)CC(C(=O)O)NC(Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O","InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1","MLN-4760","2003-10-30","2020-06-17","N-[(1S)-1-carboxy-3-methylbutyl]-3-(3,5-dichlorobenzyl)-L-histidine",""],["A1BKP","7-fluoro-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-9H-pyrimido[4,5-b]indol-4-amine","C16 H14 F N5 S","Fc1ccc2c3c(ncnc3[NH]c2c1)NC(CC)c1nccs1;CC[CH](Nc1ncnc2[nH]c3cc(F)ccc3c12)c4sccn4;CCC(c1nccs1)Nc2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C16H14FN5S/c1-2-11(16-18-5-6-23-16)21-14-13-10-4-3-9(17)7-12(10)22-15(13)20-8-19-14/h3-8,11H,2H2,1H3,(H2,19,20,21,22)/t11-/m1/s1","","2024-12-09","2025-08-15","7-fluoro-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-9H-pyrimido[4,5-b]indol-4-amine","2025-08-20"],["KYF","(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate","C20 H24 F N3 O2 S","O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1ccc(F)cc1;CC(C)(NC(=O)O[CH]1CN2CCC1CC2)c3csc(n3)c4ccc(F)cc4;CC(C)(c1csc(n1)c2ccc(cc2)F)NC(=O)OC3CN4CCC3CC4","InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1","","2022-02-22","2022-12-09","(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate","2022-12-14"],["KYG","(1R,2R,3S,4R,5R,6S)-4-{[(S)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]","C9 H21 O17 P3","OP(OCC(CO)O)(=O)OC1C(O)C(C(C(C1O)O)OP(O)(O)=O)OP(=O)(O)O;OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O;C(C(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O","InChI=1S/C9H21O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h3-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t3-,4+,5-,6-,7+,8+,9+/m0/s1","","2019-01-24","2020-01-24","(1R,2R,3S,4R,5R,6S)-4-{[(S)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]","2020-01-29"],["XX6","2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL","C20 H23 N O4","OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO;OCC(CO)NC[CH](O)COc1cc2ccccc2c3ccccc13;c1ccc2c(c1)cc(c3c2cccc3)OCC(CNC(CO)CO)O","InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1","(R)-DIHYDROXY-PHENANTHRENOLOL","2007-06-19","2021-03-01","2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol",""],["A1BKQ","4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide","C13 H14 Br N5 O","BrC1=CCCCC1Nc1ncnc2[NH]cc(c21)C(N)=O;NC(=O)c1c[nH]c2ncnc(N[CH]3CCCC=C3Br)c12;c1c(c2c([nH]1)ncnc2NC3CCCC=C3Br)C(=O)N","InChI=1S/C13H14BrN5O/c14-8-3-1-2-4-9(8)19-13-10-7(11(15)20)5-16-12(10)17-6-18-13/h3,5-6,9H,1-2,4H2,(H2,15,20)(H2,16,17,18,19)/t9-/m0/s1","","2024-12-09","2025-08-15","4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide","2025-08-20"],["A1BKU","4-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-imidazole-5-carboxamide","C15 H17 N3 O2","O=C(Nc1ccccc1OCC(=C)C)c1[NH]cnc1C;CC(=C)COc1ccccc1NC(=O)c2[nH]cnc2C;Cc1c([nH]cn1)C(=O)Nc2ccccc2OCC(=C)C","InChI=1S/C15H17N3O2/c1-10(2)8-20-13-7-5-4-6-12(13)18-15(19)14-11(3)16-9-17-14/h4-7,9H,1,8H2,2-3H3,(H,16,17)(H,18,19)","","2024-12-10","2025-10-31","4-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-imidazole-5-carboxamide","2025-11-05"],["KYH","1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine","C18 H32 N10 O3","NCCCN(CCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCCNC(=N)N)CCCN)O)O)N","InChI=1S/C18H32N10O3/c19-4-3-7-27(6-2-1-5-23-18(21)22)8-11-13(29)14(30)17(31-11)28-10-26-12-15(20)24-9-25-16(12)28/h9-11,13-14,17,29-30H,1-8,19H2,(H2,20,24,25)(H4,21,22,23)/t11-,13-,14-,17-/m1/s1","","2019-07-04","2020-02-28","1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine","2020-03-04"],["XX7","2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL","C20 H23 N O4","OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO;OCC(CO)NC[CH](O)COc1cc2ccccc2c3ccccc13;c1ccc2c(c1)cc(c3c2cccc3)OCC(CNC(CO)CO)O","InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m0/s1","","2007-06-22","2011-06-04","2-{[(2S)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol",""],["XX8","{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol","C13 H15 N3 O","n1c(N)c(cnc1C)Cc2cccc(c2)CO;Cc1ncc(Cc2cccc(CO)c2)c(N)n1;Cc1ncc(c(n1)N)Cc2cccc(c2)CO","InChI=1S/C13H15N3O/c1-9-15-7-12(13(14)16-9)6-10-3-2-4-11(5-10)8-17/h2-5,7,17H,6,8H2,1H3,(H2,14,15,16)","","2013-10-15","2014-09-12","{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol","2014-09-17"],["KYI","5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione","C16 H12 N2 O2","O=C1NC=C(C(=O)N1)c2ccccc2c3ccccc3;c1ccc(cc1)c2ccccc2C3=CNC(=O)NC3=O","InChI=1S/C16H12N2O2/c19-15-14(10-17-16(20)18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19,20)","","2022-06-07","2023-09-22","5-(2-phenylphenyl)-1~{H}-pyrimidine-2,4-dione","2023-09-27"],["A1BKY","N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide","C18 H15 Br N2 O3 S2","CS(=O)(=O)Nc1cc(cc(Br)c1)NC(=O)c1cc(cs1)c1ccccc1;C[S](=O)(=O)Nc1cc(Br)cc(NC(=O)c2scc(c2)c3ccccc3)c1;CS(=O)(=O)Nc1cc(cc(c1)Br)NC(=O)c2cc(cs2)c3ccccc3","InChI=1S/C18H15BrN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22)","","2024-12-11","2025-05-02","N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide","2025-05-07"],["KYJ","(2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","C26 H20 N4 O4","NC(=O)c1cccc2c1OC(C2=O)=[C@H]c5ccc(C(=O)NCCc4nc3c(cccc3)n4)cc5;NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(cc3)C(=O)NCCc4[nH]c5ccccc5n4;c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)C=C4C(=O)c5cccc(c5O4)C(=O)N","InChI=1S/C26H20N4O4/c27-25(32)18-5-3-4-17-23(31)21(34-24(17)18)14-15-8-10-16(11-9-15)26(33)28-13-12-22-29-19-6-1-2-7-20(19)30-22/h1-11,14H,12-13H2,(H2,27,32)(H,28,33)(H,29,30)/b21-14-","","2019-01-24","2019-08-09","(2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","2019-08-14"],["XX9","N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide","C26 H28 Cl2 N2 O2","O=C(c1c(Cl)cc(cc1Cl)N(C)C)N(c2cc(c(O)cc2)C(C)(C)C)Cc3ccccc3;CN(C)c1cc(Cl)c(c(Cl)c1)C(=O)N(Cc2ccccc2)c3ccc(O)c(c3)C(C)(C)C;CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl","InChI=1S/C26H28Cl2N2O2/c1-26(2,3)20-13-18(11-12-23(20)31)30(16-17-9-7-6-8-10-17)25(32)24-21(27)14-19(29(4)5)15-22(24)28/h6-15,31H,16H2,1-5H3","","2014-01-24","2015-03-20","N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide","2015-03-25"],["KYK","N6-benzyl-(alpha,beta)-methylene-ADP","C18 H23 N5 O9 P2","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23;c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1","","2019-07-05","2020-07-17","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-07-22"],["XXA","2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid","C11 H19 N O3","O=C(O)C(NC)C(O)C(C/C=C/C=C)C;CN[CH]([CH](O)[CH](C)CC=CC=C)C(O)=O;CC(CC=CC=C)C(C(C(=O)O)NC)O","InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1","","2010-11-19","2024-09-27","2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid",""],["A1BKZ","N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide","C18 H16 N2 O3 S2","CS(=O)(=O)Nc1cccc(c1)NC(=O)c1cc(cs1)c1ccccc1;C[S](=O)(=O)Nc1cccc(NC(=O)c2scc(c2)c3ccccc3)c1;CS(=O)(=O)Nc1cccc(c1)NC(=O)c2cc(cs2)c3ccccc3","InChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)","","2024-12-11","2025-05-02","N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide","2025-05-07"],["XXB","1-butyl-1H-pyrazole-5-carboxylic acid","C8 H12 N2 O2","O=C(O)c1ccnn1CCCC;CCCCn1nccc1C(O)=O;CCCCn1c(ccn1)C(=O)O","InChI=1S/C8H12N2O2/c1-2-3-6-10-7(8(11)12)4-5-9-10/h4-5H,2-3,6H2,1H3,(H,11,12)","","2011-09-07","2011-09-16","1-butyl-1H-pyrazole-5-carboxylic acid",""],["A1BLA","(5P)-N,N-dimethyl-5-(naphthalen-1-yl)-6-(pyridin-4-yl)pyrazin-2-amine","C21 H18 N4","CN(C)c1cnc(c2cccc3ccccc23)c(n1)c1ccncc1;CN(C)c1cnc(c2cccc3ccccc23)c(n1)c4ccncc4;CN(C)c1cnc(c(n1)c2ccncc2)c3cccc4c3cccc4","InChI=1S/C21H18N4/c1-25(2)19-14-23-21(20(24-19)16-10-12-22-13-11-16)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3","","2024-12-13","2024-12-27","(5P)-N,N-dimethyl-5-(naphthalen-1-yl)-6-(pyridin-4-yl)pyrazin-2-amine","2025-01-01"],["KYL","(1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline","C39 H46 N2 O6","COc1ccc(C[CH]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc4ccc(C[CH]5N(C)CCc6cc(OC)c(OC)cc56)cc4;CN1CCc2cc(c(cc2C1Cc3ccc(cc3)Oc4cc(ccc4OC)CC5c6cc(c(cc6CCN5C)OC)OC)OC)OC","InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1","","2022-10-28","2023-07-21","(1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline","2023-07-26"],["A1BLB","(6M)-6-(2,4-dichlorophenyl)-8-(2-hydroxyethyl)-2-[3-(methanesulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one","C22 H18 Cl2 N4 O4 S","CS(=O)(=O)c1cccc(c1)Nc1ncc2C=C(C(=O)N(CCO)c2n1)c1ccc(Cl)cc1Cl;C[S](=O)(=O)c1cccc(Nc2ncc3C=C(C(=O)N(CCO)c3n2)c4ccc(Cl)cc4Cl)c1;CS(=O)(=O)c1cccc(c1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4ccc(cc4Cl)Cl)CCO","InChI=1S/C22H18Cl2N4O4S/c1-33(31,32)16-4-2-3-15(11-16)26-22-25-12-13-9-18(17-6-5-14(23)10-19(17)24)21(30)28(7-8-29)20(13)27-22/h2-6,9-12,29H,7-8H2,1H3,(H,25,26,27)","","2024-12-13","2025-12-12","(6M)-6-(2,4-dichlorophenyl)-8-(2-hydroxyethyl)-2-[3-(methanesulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one","2025-12-17"],["XXC","7-phenylheptanoic acid","C13 H18 O2","O=C(O)CCCCCCc1ccccc1;OC(=O)CCCCCCc1ccccc1;c1ccc(cc1)CCCCCCC(=O)O","InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)","","2014-02-14","2014-02-28","7-phenylheptanoic acid","2014-03-05"],["KYM","(2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","C25 H21 N5 O4","O=C(c1ccc(cc1)C=C2/Oc3c(cccc3C2=O)C(=O)N)N6Cc5nnc(C4CC4)n5CC6;NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(cc3)C(=O)N4CCn5c(C4)nnc5C6CC6;c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)C2=O","InChI=1S/C25H21N5O4/c26-23(32)18-3-1-2-17-21(31)19(34-22(17)18)12-14-4-6-16(7-5-14)25(33)29-10-11-30-20(13-29)27-28-24(30)15-8-9-15/h1-7,12,15H,8-11,13H2,(H2,26,32)/b19-12-","","2019-01-24","2019-08-09","(2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","2019-08-14"],["A1BLC","(3P)-5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide","C20 H23 N5 O3","NC(=O)c1c(nn(C2CCOCC2)c1N)c1cc2ccc(OCC)cc2nc1;CCOc1ccc2cc(cnc2c1)c3nn(C4CCOCC4)c(N)c3C(N)=O;CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C4CCOCC4)N)C(=O)N","InChI=1S/C20H23N5O3/c1-2-28-15-4-3-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-7-27-8-6-14/h3-4,9-11,14H,2,5-8,21H2,1H3,(H2,22,26)","","2024-12-13","2025-12-12","(3P)-5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide","2025-12-17"],["KYN","(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","C10 H12 N2 O3","O=C(c1ccccc1N)CC(C(=O)O)N;N[CH](CC(=O)c1ccccc1N)C(O)=O;c1ccc(c(c1)C(=O)CC(C(=O)O)N)N","InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1","L-KYNURENINE","2004-05-16","2024-09-27","(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid",""],["XXD","(2S)-pentane-1,2,5-triol","C5 H12 O3","OCCCC(O)CO;OCCC[CH](O)CO;C(CC(CO)O)CO","InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2/t5-/m0/s1","","2011-11-10","2011-11-18","(2S)-pentane-1,2,5-triol",""],["KYO","(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate","C51 H72 N4 O11","CC(C)CN1CCC2(CC1)Nc1c(N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(=O)c1ccccc1)C(C)C(OC)CCO4;CO[CH]1CCO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)[CH](C)CCC[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(=O)c5ccccc5)[CH]1C)c6NC7(CCN(CC7)CC(C)C)Nc6c4c3C2=O;Cc1c(c2c3c4c1OC(C4=O)(OCCC(C(C(C(C(C(C(C(CCCC(C(=O)Nc(c2O)c5c3NC6(N5)CCN(CC6)CC(C)C)C)C)O)C)O)C)OC(=O)c7ccccc7)C)OC)C)O","InChI=1S/C51H72N4O11/c1-26(2)25-55-22-20-51(21-23-55)53-38-35-36-43(58)32(8)46-37(35)47(60)50(9,66-46)64-24-19-34(63-10)29(5)45(65-49(62)33-17-12-11-13-18-33)31(7)42(57)30(6)41(56)27(3)15-14-16-28(4)48(61)52-40(44(36)59)39(38)54-51/h11-13,17-18,26-31,34,41-42,45,53-54,56-59H,14-16,19-25H2,1-10H3,(H,52,61)/t27-,28+,29+,30+,31+,34-,41-,42+,45+,50-/m0/s1","","2022-02-23","2022-10-14","(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate","2022-10-19"],["A1BLF","6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide","C32 H42 N8 O5","Cc1ncoc1COc1cc2CNC(Cc2cc1)C(O)CNC(=O)c1cc(NC2CN(C2)C(C)=O)nc(n1)N1CCC(C)CC1;CC1CCN(CC1)c2nc(NC3CN(C3)C(C)=O)cc(n2)C(=O)NC[CH](O)[CH]4Cc5ccc(OCc6ocnc6C)cc5CN4;Cc1c(ocn1)COc2ccc3c(c2)CNC(C3)C(CNC(=O)c4cc(nc(n4)N5CCC(CC5)C)NC6CN(C6)C(=O)C)O","InChI=1S/C32H42N8O5/c1-19-6-8-39(9-7-19)32-37-27(12-30(38-32)36-24-15-40(16-24)21(3)41)31(43)34-14-28(42)26-11-22-4-5-25(10-23(22)13-33-26)44-17-29-20(2)35-18-45-29/h4-5,10,12,18-19,24,26,28,33,42H,6-9,11,13-17H2,1-3H3,(H,34,43)(H,36,37,38)/t26-,28+/m0/s1","","2024-12-16","2025-02-28","6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide","2025-03-05"],["XXE","4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid","C10 H8 N2 O2","O=C(O)c1cc(ccn1)n2cccc2;OC(=O)c1cc(ccn1)n2cccc2;c1ccn(c1)c2ccnc(c2)C(=O)O","InChI=1S/C10H8N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H,(H,13,14)","","2017-07-20","2017-11-10","4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid","2017-11-15"],["KYP","3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide","C25 H23 N5 O4","O=C(c1ccc(cc1)Cc2oc3c(cccc3c2O)C(=O)N)N4CCN(CC4)c5ncccn5;NC(=O)c1cccc2c(O)c(Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)oc12;c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O","InChI=1S/C25H23N5O4/c26-23(32)19-4-1-3-18-21(31)20(34-22(18)19)15-16-5-7-17(8-6-16)24(33)29-11-13-30(14-12-29)25-27-9-2-10-28-25/h1-10,31H,11-15H2,(H2,26,32)","","2019-01-24","2019-08-09","3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide","2019-08-14"],["A1BLM","pemrametostat","C24 H32 N6 O3","CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CN1Cc2ccccc2CC1;CC(=O)N1CCC(CC1)Nc2cc(ncn2)C(=O)NC[CH](O)CN3CCc4ccccc4C3;CC(=O)N1CCC(CC1)Nc2cc(ncn2)C(=O)NCC(CN3CCc4ccccc4C3)O","InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1","GSK3326595; 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide","2024-12-16","2025-02-28","6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide","2025-03-05"],["XXF","(3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile","C22 H23 Cl N6 O","N#Cc1cccc(c1)c1c2c([NH]c1Cl)ncnc2N1CC2(CCN(C)CC2)OCC1;CN1CCC2(CC1)CN(CCO2)c3ncnc4[nH]c(Cl)c(c5cccc(c5)C#N)c34;CN1CCC2(CC1)CN(CCO2)c3c4c(c([nH]c4ncn3)Cl)c5cccc(c5)C#N","InChI=1S/C22H23ClN6O/c1-28-7-5-22(6-8-28)13-29(9-10-30-22)21-18-17(16-4-2-3-15(11-16)12-24)19(23)27-20(18)25-14-26-21/h2-4,11,14H,5-10,13H2,1H3,(H,25,26,27)","","2022-12-14","2023-03-31","(3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile","2023-04-05"],["XXG","3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid","C6 H6 O6 S","O=S(=O)(O)C1=CC(O)(O)C(=O)C=C1;OC1(O)C=C(C=CC1=O)[S](O)(=O)=O;C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O","InChI=1S/C6H6O6S/c7-5-2-1-4(13(10,11)12)3-6(5,8)9/h1-3,8-9H,(H,10,11,12)","1,1-dihydroxy-2-keto-5-sulfonyl-cyclohexa-3,5-diene","2008-09-09","2021-03-13","3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid",""],["A1BLQ","(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol","C21 H25 F3 N4 O","CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCCCc23)C1;CN1CCC[CH](C1)Nc2nnc(c3CCCCc23)c4ccc(cc4O)C(F)(F)F;CN1CCCC(C1)Nc2c3c(c(nn2)c4ccc(cc4O)C(F)(F)F)CCCC3","InChI=1S/C21H25F3N4O/c1-28-10-4-5-14(12-28)25-20-16-7-3-2-6-15(16)19(26-27-20)17-9-8-13(11-18(17)29)21(22,23)24/h8-9,11,14,29H,2-7,10,12H2,1H3,(H,25,27)/t14-/m1/s1","","2024-12-16","2025-02-21","(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol","2025-02-26"],["KYQ","(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine","C9 H16 N2 O5","O=C(O)C(N)CCCC/N=C(/C(=O)O)CO;N[CH](CCCCN=C(CO)C(O)=O)C(O)=O;C(CCN=C(CO)C(=O)O)CC(C(=O)O)N","InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1","","2008-04-04","2024-09-27","(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine",""],["KYR","4-(4-methylphenyl)-1~{H}-quinazolin-2-one","C15 H12 N2 O","Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23;Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3","InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18)","","2022-06-07","2023-09-15","4-(4-methylphenyl)-1~{H}-quinazolin-2-one","2023-09-20"],["A1BLR","(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol","C17 H19 F3 N4 O","CN1CCCC(Nc2ccc(nn2)c2ccc(cc2O)C(F)(F)F)C1;CN1CCC[CH](C1)Nc2ccc(nn2)c3ccc(cc3O)C(F)(F)F;CN1CCCC(C1)Nc2ccc(nn2)c3ccc(cc3O)C(F)(F)F","InChI=1S/C17H19F3N4O/c1-24-8-2-3-12(10-24)21-16-7-6-14(22-23-16)13-5-4-11(9-15(13)25)17(18,19)20/h4-7,9,12,25H,2-3,8,10H2,1H3,(H,21,23)/t12-/m1/s1","","2024-12-16","2025-02-21","(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol","2025-02-26"],["XXH","4-nitrobenzaldehyde","C7 H5 N O3","O=[N+]([O-])c1ccc(C=O)cc1;[O-][N+](=O)c1ccc(C=O)cc1;c1cc(ccc1C=O)[N+](=O)[O-]","InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H","","2012-07-03","2012-07-06","4-nitrobenzaldehyde",""],["KYS","N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III)","C24 H31 Cl N5 O4 Ru S2","Cl[Ru]1|2|3|4|5|6(NCCN1[S](=O)(=O)c7ccc(NC(=O)CCCC[CH]8SC[CH]9NC(=O)N[CH]89)cc7)|C%10=C|2C|3=C|4C|5=C|6%10;c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)N4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl","InChI=1S/C18H25N5O4S2.C6H6.ClH.Ru/c19-9-10-20-29(26,27)13-7-5-12(6-8-13)21-16(24)4-2-1-3-15-17-14(11-28-15)22-18(25)23-17;1-2-4-6-5-3-1;;/h5-8,14-15,17,19H,1-4,9-11H2,(H,21,24)(H2,22,23,25);1-6H;1H;/q-2;;;+3/p-1/t14-,15-,17-;;;/m0.../s1","","2007-07-09","2011-06-04","",""],["XXI","2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide","C26 H26 Cl N5 O3","O=C(C)N1CCC(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1;CN(Cc1ccc(C#N)c(Cl)c1)C(=O)CN2C=Nc3ccc(cc3C2=O)C4CCN(CC4)C(C)=O;CC(=O)N1CCC(CC1)c2ccc3c(c2)C(=O)N(C=N3)CC(=O)N(C)Cc4ccc(c(c4)Cl)C#N","InChI=1S/C26H26ClN5O3/c1-17(33)31-9-7-19(8-10-31)20-5-6-24-22(12-20)26(35)32(16-29-24)15-25(34)30(2)14-18-3-4-21(13-28)23(27)11-18/h3-6,11-12,16,19H,7-10,14-15H2,1-2H3","","2023-06-08","2024-12-13","2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide","2024-12-18"],["A1BLV","(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile","C25 H26 N6","N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1;CNc1nc(N[CH]2CCc3c(cccc23)C#N)cc(n1)c4cccc(c4)N5CCCC5;CNc1nc(cc(n1)NC2CCc3c2cccc3C#N)c4cccc(c4)N5CCCC5","InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1","","2024-12-17","2025-02-21","(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile","2025-02-26"],["A1BLY","nonadecafluorodecanoic acid","C10 H F19 O2","FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)","","2024-12-17","2025-06-06","nonadecafluorodecanoic acid","2025-06-11"],["XXJ","4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide","C24 H20 F2 N4 O5 S","NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)c4ccccc4)cc13;c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O","InChI=1S/C24H20F2N4O5S/c25-16-7-6-15(19(26)11-16)13-29-23(31)20-21(27)18-10-14(12-28-22(18)30(33)24(20)32)8-9-36(34,35)17-4-2-1-3-5-17/h1-7,10-12,33H,8-9,13,27H2,(H,29,31)","","2015-12-23","2016-02-12","4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide","2016-02-17"],["KYT","(3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III)","C24 H39 Cl N5 O2 Ru S","O=C1NC2C(SCC2N1)CCCCC(=O)N7CC6N[Ru+]45(Cl)(C3=CC5(=CC4=C3C)C(C)C)NC6C7;CC(C)C1|2=CC|3=C(C)C(=C1)|[Ru+]|4|2|3(|N[CH]5CN(C[CH]5N|4)C(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]67)Cl;CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2]C5CN(CC5[NH2]4)C(=O)CCCCC6C7C(CS6)NC(=O)N7)Cl)C(C)C","InChI=1S/C14H25N5O2S.C10H14.ClH.Ru/c15-8-5-19(6-9(8)16)12(20)4-2-1-3-11-13-10(7-22-11)17-14(21)18-13;1-8(2)10-6-4-9(3)5-7-10;;/h8-11,13H,1-7,15-16H2,(H2,17,18,21);4-8H,1-3H3;1H;/q;;;+2/p-1/t8-,9-,10+,11+,13+;;;/m1.../s1","","2009-08-10","2011-06-04","chloro[(3aS,4S,6aR)-4-{5-[(3R,4R)-3,4-di(amino-kappaN)pyrrolidin-1-yl]-5-oxopentyl}tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one][1-methyl-4-(propan-2-yl)benzene-kappa~3~C~2~,C~4~,C~6~]ruthenium(1+)",""],["A1BLZ","2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide","C19 H18 F6 N2 O3 S2","O=S(=O)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F;CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)[S](=O)(=O)c2ccc(cn2)C(F)(F)F;CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)S(=O)(=O)c2ccc(cn2)C(F)(F)F","InChI=1S/C19H18F6N2O3S2/c1-17(2,32(29,30)15-8-7-12(11-27-15)18(20,21)22)16(28)26-9-10-31-14-6-4-3-5-13(14)19(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)","","2024-12-17","2025-08-29","2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide","2025-09-03"],["XXK","3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol","C19 H17 N5 O3","n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5;Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2;c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1","InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2","","2013-06-18","2013-12-27","3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol","2014-01-01"],["KYU","2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide","C14 H11 Cl F2 N2 O","O=C(Nc1cnccc1C)C(F)(F)c1cccc(Cl)c1;Cc1ccncc1NC(=O)C(F)(F)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)(F)F","InChI=1S/C14H11ClF2N2O/c1-9-5-6-18-8-12(9)19-13(20)14(16,17)10-3-2-4-11(15)7-10/h2-8H,1H3,(H,19,20)","","2023-08-14","2023-11-03","2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["XXL","ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate","C12 H13 N O4","O=C(OCC)CN1c2c(OCC1=O)cccc2;CCOC(=O)CN1C(=O)COc2ccccc12;CCOC(=O)CN1c2ccccc2OCC1=O","InChI=1S/C12H13NO4/c1-2-16-12(15)7-13-9-5-3-4-6-10(9)17-8-11(13)14/h3-6H,2,7-8H2,1H3","","2015-01-29","2015-10-02","ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate","2015-10-07"],["KYV","2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide","C28 H25 N5 O4","N3(CCN(c1nc2c(n1)cccc2)CC3)C(c6ccc(Cc5c(O)c4cccc(C(=O)N)c4o5)cc6)=O;NC(=O)c1cccc2c(O)c(Cc3ccc(cc3)C(=O)N4CCN(CC4)c5[nH]c6ccccc6n5)oc12;c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O","InChI=1S/C28H25N5O4/c29-26(35)20-5-3-4-19-24(34)23(37-25(19)20)16-17-8-10-18(11-9-17)27(36)32-12-14-33(15-13-32)28-30-21-6-1-2-7-22(21)31-28/h1-11,34H,12-16H2,(H2,29,35)(H,30,31)","","2019-01-24","2019-08-09","2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide","2019-08-14"],["XXM","3-C-(hydroxylmethyl)-alpha-D-erythrofuranose","C5 H10 O5","OCC1(C(C(OC1)O)O)O;OC[C]1(O)CO[CH](O)[CH]1O;C1C(C(C(O1)O)O)(CO)O","InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1","alpha-D-apiose; 3-C-(hydroxylmethyl)-alpha-D-erythrose; 3-C-(hydroxylmethyl)-D-erythrose;\n3-C-(hydroxylmethyl)-erythrose; (2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol","2016-02-24","2020-07-17","(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol","2016-04-20"],["KYW","(N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP","C19 H24 Cl N5 O9 P2","CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4O;CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1","","2019-07-05","2020-07-17","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-07-22"],["A1BME","6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one","C26 H29 F3 N4 O2","FC(F)(F)c1cccc(c1C)C(C)NC1=NC=2CCNCC=2C2=CC(=O)N(C=C12)C1CCOCC1;C[CH](NC1=NC2=C(CNCC2)C3=CC(=O)N(C=C13)C4CCOCC4)c5cccc(c5C)C(F)(F)F;Cc1c(cccc1C(F)(F)F)C(C)NC2=NC3=C(CNCC3)C4=CC(=O)N(C=C42)C5CCOCC5","InChI=1S/C26H29F3N4O2/c1-15-18(4-3-5-22(15)26(27,28)29)16(2)31-25-21-14-33(17-7-10-35-11-8-17)24(34)12-19(21)20-13-30-9-6-23(20)32-25/h3-5,12,14,16-17,30H,6-11,13H2,1-2H3,(H,31,32)/t16-/m1/s1","","2024-12-19","2025-03-28","6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one","2025-04-02"],["KYX","N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide","C20 H23 N5 O2","CC(C)(C)CNC(=O)Nc1ccc(cc1)NC(=O)c1cccc2cn[NH]c12;CC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1;CC(C)(C)CNC(=O)Nc1ccc(cc1)NC(=O)c2cccc3c2[nH]nc3","InChI=1S/C20H23N5O2/c1-20(2,3)12-21-19(27)24-15-9-7-14(8-10-15)23-18(26)16-6-4-5-13-11-22-25-17(13)16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)","","2022-02-24","2022-08-26","N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide","2022-08-31"],["XXN","(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","C8 H5 Cl2 N O2","Clc1ccc(Cl)c2c1NC(=O)C2O;O[CH]1C(=O)Nc2c(Cl)ccc(Cl)c12;c1cc(c2c(c1Cl)C(C(=O)N2)O)Cl","InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1","","2023-11-14","2024-09-27","(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","2024-02-14"],["KYY","2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide","C17 H12 F N5 O3","c1cc(c(cc1Cc3oc2c(cccc2c3O)C(=O)N)F)c4nnnn4;NC(=O)c1cccc2c(O)c(Cc3ccc(c(F)c3)c4[nH]nnn4)oc12;c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O","InChI=1S/C17H12FN5O3/c18-12-6-8(4-5-9(12)17-20-22-23-21-17)7-13-14(24)10-2-1-3-11(16(19)25)15(10)26-13/h1-6,24H,7H2,(H2,19,25)(H,20,21,22,23)","","2019-01-24","2019-08-09","2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide","2019-08-14"],["A1BMF","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol","C15 H26 S","C/C(C)=CCCC(C)=CCCC(C)=CCS;CC(C)=CCCC(C)=CCCC(C)=CCS;CC(=CCCC(=CCCC(=CCS)C)C)C","InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+","","2024-12-20","2025-07-11","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol","2025-07-16"],["XXO","2-(furan-2-yl)pyridine-4-carboxylic acid","C10 H7 N O3","c2(c1nccc(c1)C(O)=O)ccco2;OC(=O)c1ccnc(c1)c2occc2;c1cc(oc1)c2cc(ccn2)C(=O)O","InChI=1S/C10H7NO3/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13)","","2017-07-20","2017-11-10","2-(furan-2-yl)pyridine-4-carboxylic acid","2017-11-15"],["XXP","2-KETO,5-NITRO,6-HYDROXY-3,5-HEXADIENOIC ACID","C6 H5 N O6","[O-][N+](=O)C(/C=CC(=O)C(=O)O)=C/O;OC=C(C=CC(=O)C(O)=O)[N+]([O-])=O;C(=CC(=O)C(=O)O)C(=CO)[N+](=O)[O-]","InChI=1S/C6H5NO6/c8-3-4(7(12)13)1-2-5(9)6(10)11/h1-3,8H,(H,10,11)/b2-1-,4-3+","","2006-10-05","2011-06-04","(3Z,5E)-6-hydroxy-5-nitro-2-oxohexa-3,5-dienoic acid",""],["A1BMQ","1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine","C9 H8 F N3 O","NCc1nc(on1)c1ccccc1F;NCc1noc(n1)c2ccccc2F;c1ccc(c(c1)c2nc(no2)CN)F","InChI=1S/C9H8FN3O/c10-7-4-2-1-3-6(7)9-12-8(5-11)13-14-9/h1-4H,5,11H2","","2024-12-23","2025-08-08","1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine","2025-08-13"],["KYZ","~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","C18 H18 N4 O5 S","CN[S](=O)(=O)c1ccc(OC)c(NC(=O)CC2=NNC(=O)c3ccccc23)c1;CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC","InChI=1S/C18H18N4O5S/c1-19-28(25,26)11-7-8-16(27-2)15(9-11)20-17(23)10-14-12-5-3-4-6-13(12)18(24)22-21-14/h3-9,19H,10H2,1-2H3,(H,20,23)(H,22,24)","","2019-07-05","2019-09-20","~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","2019-09-25"],["KZ0","2,4,6-tris(chloromethyl)-1,3,5-triazine","C6 H6 Cl3 N3","ClCc1nc(CCl)nc(CCl)n1;C(c1nc(nc(n1)CCl)CCl)Cl","InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2","Chemical crosslinker","2022-06-08","2024-09-27","2,4,6-tris(chloromethyl)-1,3,5-triazine","2023-06-28"],["XXQ","(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid","C17 H10 F3 N5 O3 S","O=C(O)CC1=NN(Cc2nc3cc(ccc3s2)C(F)(F)F)C(=O)c2nccnc21;OC(=O)CC1=NN(Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4nccnc14;c1cc2c(cc1C(F)(F)F)nc(s2)CN3C(=O)c4c(nccn4)C(=N3)CC(=O)O","InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)","","2022-12-14","2023-12-15","(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid","2023-12-20"],["XXR","alpha-D-rhamnopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1","alpha-D-rhamnose; 6-deoxy-alpha-D-mannopyranose; D-rhamnose; rhamnose","2013-07-18","2020-07-17","6-deoxy-alpha-D-mannopyranose","2014-02-19"],["KZ1","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C14 H12 F3 N3 O4 S","NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2c(c(c(c(c2)F)O)F)F;N[CH](CS)C1=NC(=Cc2cc(F)c(O)c(F)c2F)C(=O)N1CC(O)=O;c1c(c(c(c(c1F)O)F)F)C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O","InChI=1S/C14H12F3N3O4S/c15-6-1-5(10(16)11(17)12(6)23)2-8-14(24)20(3-9(21)22)13(19-8)7(18)4-25/h1-2,7,23,25H,3-4,18H2,(H,21,22)/b8-2-/t7-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)-(2,3,5-F3Y)","2019-01-25","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["A1BMV","[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone","C11 H15 N3 O","CC1CCCCN1C(=O)c1cnccn1;C[CH]1CCCCN1C(=O)c2cnccn2;CC1CCCCN1C(=O)c2cnccn2","InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1","","2024-12-23","2025-08-08","[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone","2025-08-13"],["XXS","4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole","C20 H24 N6 O2 S","C1(C)COCCN1c5cc(C2(S(C)(=N)=O)CC2)nc(c4cccc3c4cnn3)n5;C[CH]1COCCN1c2cc(nc(n2)c3cccc4[nH]ncc34)C5(CC5)[S](C)(=N)=O;CC1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)S(=N)(=O)C","InChI=1S/C20H24N6O2S/c1-13-12-28-9-8-26(13)18-10-17(20(6-7-20)29(2,21)27)23-19(24-18)14-4-3-5-16-15(14)11-22-25-16/h3-5,10-11,13,21H,6-9,12H2,1-2H3,(H,22,25)/t13-,29-/m1/s1","","2021-01-18","2022-01-07","4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole","2022-01-12"],["KZ2","1-benzothiophene-7-carboxylic acid","C9 H6 O2 S","OC(=O)c1cccc2ccsc12;c1cc2ccsc2c(c1)C(=O)O","InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)","","2019-07-05","2020-07-10","1-benzothiophene-7-carboxylic acid","2020-07-15"],["XXT","[(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate","C19 H26 O7","C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH](O)C[CH](OC(C)=O)[CH]13;CC1CC2C(C(C3(C1C(CC3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2","InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1","Britannin","2016-06-28","2021-03-01","[(3~{a}~{S},5~{R},5~{a}~{S},6~{S},8~{S},8~{a}~{S},9~{S},9~{a}~{R})-9-acetyloxy-5,8~{a}-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-4,5,5~{a},6,7,8,9,9~{a}-octahydro-3~{a}~{H}-azuleno[6,5-b]furan-6-yl] ethanoate","2017-06-28"],["KZ3","(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol","C24 H26 F N O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(Cc3ccc(cc3)C4CC4)c5c(F)cccc25;c1cc2c(c(c1)F)c(cn2C3C(C(C(C(O3)CO)O)O)O)Cc4ccc(cc4)C5CC5","InChI=1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1","","2022-11-01","2023-10-27","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol","2023-11-01"],["A1BMY","(8R,9R)-2-chloro-N-[5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl]-8-methyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[2,3-e]pyrimidine-6-carboxamide","C18 H12 Cl2 F3 N9 O","FC(F)(F)C1(C)CN(c2cnc3cc(Cl)nn3c21)C(=O)Nc1cnc(c(Cl)c1)n1nccn1;C[C]1(CN(C(=O)Nc2cnc(n3nccn3)c(Cl)c2)c4cnc5cc(Cl)nn5c14)C(F)(F)F;CC1(CN(c2c1n3c(cc(n3)Cl)nc2)C(=O)Nc4cc(c(nc4)n5nccn5)Cl)C(F)(F)F","InChI=1S/C18H12Cl2F3N9O/c1-17(18(21,22)23)8-30(11-7-24-13-5-12(20)29-31(13)14(11)17)16(33)28-9-4-10(19)15(25-6-9)32-26-2-3-27-32/h2-7H,8H2,1H3,(H,28,33)/t17-/m1/s1","","2024-12-24","2025-10-24","(8R,9R)-2-chloro-N-[5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl]-8-methyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[2,3-e]pyrimidine-6-carboxamide","2025-10-29"],["KZ4","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C14 H14 Br N3 O4 S","NC(CS)C=1N(C(=O)C(N=1)=[C@H]c2cc(c(cc2)O)Br)CC(=O)O;N[CH](CS)C1=NC(=Cc2ccc(O)c(Br)c2)C(=O)N1CC(O)=O;c1cc(c(cc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)Br)O","InChI=1S/C14H14BrN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)3-Br","2019-01-25","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["XXU","2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3(4H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide","C24 H25 Cl2 N5 O3","O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C(C)=Nc2cc1;CC(=O)N1CCN(CC1)c2ccc3N=C(C)N(CC(=O)NCc4ccc(Cl)c(Cl)c4)C(=O)c3c2;CC1=Nc2ccc(cc2C(=O)N1CC(=O)NCc3ccc(c(c3)Cl)Cl)N4CCN(CC4)C(=O)C","InChI=1S/C24H25Cl2N5O3/c1-15-28-22-6-4-18(30-9-7-29(8-10-30)16(2)32)12-19(22)24(34)31(15)14-23(33)27-13-17-3-5-20(25)21(26)11-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,33)","","2023-06-08","2024-12-13","2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3(4H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide","2024-12-18"],["XXV","1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide","C19 H22 N6 O3 S","C1(N(CCOC1)c5cc(C2(CC2)S(N)(=O)=O)nc(c4ccnc3c4ccn3)n5)C;C[CH]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S](N)(=O)=O;CC1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N","InChI=1S/C19H22N6O3S/c1-12-11-28-9-8-25(12)16-10-15(19(4-5-19)29(20,26)27)23-18(24-16)14-3-7-22-17-13(14)2-6-21-17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,21,22)(H2,20,26,27)/t12-/m1/s1","","2021-01-18","2021-07-09","1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide","2021-07-14"],["A1BN7","(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide","C11 H12 Cl F2 N3 O2 S","FC(F)(c1cnsc1Cl)C(=O)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)C(F)(F)c2cnsc2Cl;c1c(c(sn1)Cl)C(C(=O)N2CCCC(C2)C(=O)N)(F)F","InChI=1S/C11H12ClF2N3O2S/c12-8-7(4-16-20-8)11(13,14)10(19)17-3-1-2-6(5-17)9(15)18/h4,6H,1-3,5H2,(H2,15,18)/t6-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide","2025-02-26"],["KZ5","(2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid","C8 H13 N3 O5 S","CN(C)[CH](Cc1c[nH]c(n1)[S](O)(=O)=O)C(O)=O;CN(C)C(Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O","InChI=1S/C8H13N3O5S/c1-11(2)6(7(12)13)3-5-4-9-8(10-5)17(14,15)16/h4,6H,3H2,1-2H3,(H,9,10)(H,12,13)(H,14,15,16)/t6-/m0/s1","","2019-07-05","2019-07-12","(2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid","2019-07-17"],["KZ6","4-iodobenzoic acid","C7 H5 I O2","OC(=O)c1ccc(I)cc1;OC(=O)c1ccc(I)cc1;c1cc(ccc1C(=O)O)I","InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)","","2022-02-24","2023-03-10","4-iodobenzoic acid","2023-03-15"],["XXW","N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","C29 H34 F2 N6 O3","FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(COC)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C;COCn1cc(cn1)c2cc(cc(c2)c3cnn(c3)C(F)F)[CH](C)NC(=O)c4cc(OCCN(C)C)ccc4C;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cnn(c3)C(F)F)c4cnn(c4)COC)OCCN(C)C","InChI=1S/C29H34F2N6O3/c1-19-6-7-26(40-9-8-35(3)4)13-27(19)28(38)34-20(2)21-10-22(24-14-32-36(16-24)18-39-5)12-23(11-21)25-15-33-37(17-25)29(30)31/h6-7,10-17,20,29H,8-9,18H2,1-5H3,(H,34,38)","","2023-11-14","2024-03-29","N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","2024-04-03"],["KZ7","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C14 H14 Cl N3 O4 S","NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)Cl)O;N[CH](CS)C1=NC(=Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O;c1cc(c(cc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)Cl)O","InChI=1S/C14H14ClN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)3-Cl","2019-01-25","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["XXX","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside","C12 H26 N4 O6","O(C1C(O)C(O)C(N)CC1N)C2OC(C(O)C(O)C2N)CN;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N","InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1","(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA\nN-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-glucoside","2005-11-03","2020-07-17","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",""],["XXY","2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate","C12 H16 N5 O4","[O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2;C[CH](O)[CH](N)c1nc(Cc2[nH]cnc2)c([O-])n1CC(O)=O;CC(C(c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O","InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1","CHROMOPHORE THR-HIS-GLY","2006-02-10","2024-09-27","2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate",""],["KZ8","~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","C23 H20 N4 O5 S","COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)Nc4ccccc4;COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4","InChI=1S/C23H20N4O5S/c1-32-21-12-11-16(33(30,31)27-15-7-3-2-4-8-15)13-20(21)24-22(28)14-19-17-9-5-6-10-18(17)23(29)26-25-19/h2-13,27H,14H2,1H3,(H,24,28)(H,26,29)","","2019-07-06","2019-09-20","~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","2019-09-25"],["KZ9","(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE","C14 H14 N2 O2 S","O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3;Oc1cccc(c1)[CH]2NC(=S)NC3=C2C(=O)CCC3;c1cc(cc(c1)O)C2C3=C(CCCC3=O)NC(=S)N2","InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1","(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one","2010-02-26","2020-06-17","(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one",""],["XXZ","1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE","C20 H22 F N5 O","O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4;NCc1ccc(cc1)C(=O)N2CCC3(CC2)Nc4cccc(F)c4C(=N3)N;c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N","InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)","AR-C120011","2006-04-27","2020-06-17","1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine",""],["A1BNQ","acetoacetyl group","C4 H6 O2","CC(=O)CC=O;CC(=O)CC=O;CC(=O)CC=O","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","","2025-01-07","2025-08-22","3-oxobutanal","2025-08-27"],["KZA","9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine","C21 H24 F2 N10 O7 P2 S2","Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](S)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3CC4COP(=O)(OC5C(COP(=O)(OC4C3F)S)OC(C5F)n6cnc7c6ncnc7N)S)N","InChI=1S/C21H24F2N10O7P2S2/c22-11-9(32-6-30-13-17(24)26-4-28-19(13)32)1-8-2-36-41(34,43)40-16-10(3-37-42(35,44)39-15(8)11)38-21(12(16)23)33-7-31-14-18(25)27-5-29-20(14)33/h4-12,15-16,21H,1-3H2,(H,34,43)(H,35,44)(H2,24,26,28)(H2,25,27,29)/t8-,9-,10-,11+,12-,15-,16-,21-,41-,42-/m1/s1","","2022-06-08","2023-12-15","9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine","2023-12-20"],["XY0","{7-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl}acetic acid","C16 H10 Cl N5 O3 S","O=C(O)CC1=NN(Cc2nc3cc(Cl)ccc3s2)C(=O)c2nccnc21;OC(=O)CC1=NN(Cc2sc3ccc(Cl)cc3n2)C(=O)c4nccnc14;c1cc2c(cc1Cl)nc(s2)CN3C(=O)c4c(nccn4)C(=N3)CC(=O)O","InChI=1S/C16H10ClN5O3S/c17-8-1-2-11-9(5-8)20-12(26-11)7-22-16(25)15-14(18-3-4-19-15)10(21-22)6-13(23)24/h1-5H,6-7H2,(H,23,24)","","2022-12-14","2023-12-15","{7-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl}acetic acid","2023-12-20"],["A1BNR","N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide","C16 H19 N3 O2 S","O=C1N=C(SCC(=O)NC2CCCCC2)Nc2ccccc21;O=C(CSC1=NC(=O)c2ccccc2N1)NC3CCCCC3;c1ccc2c(c1)C(=O)N=C(N2)SCC(=O)NC3CCCCC3","InChI=1S/C16H19N3O2S/c20-14(17-11-6-2-1-3-7-11)10-22-16-18-13-9-5-4-8-12(13)15(21)19-16/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19,21)","","2025-01-07","2025-01-17","N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide","2025-01-22"],["KZB","(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol","C33 H54 O10","C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)O)C)OC1","InChI=1S/C33H54O10/c1-15-7-10-33(40-14-15)16(2)23-29(43-33)26(37)24-18-6-5-17-11-21(41-30-28(39)27(38)25(36)22(13-34)42-30)20(35)12-32(17,4)19(18)8-9-31(23,24)3/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32+,33-/m0/s1","","2019-07-06","2019-12-13","(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol","2019-12-18"],["XY1","4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid","C15 H15 N3 O3","O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2;NCCc1ccc(O)c(c1)N=Nc2ccc(cc2)C(O)=O;c1cc(ccc1C(=O)O)N=Nc2cc(ccc2O)CCN","InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+","4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid","2013-03-12","2024-09-27","4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid","2014-03-26"],["A1BNU","N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine","C7 H13 N5","CN(CCN)c1ccnc(N)n1;CN(CCN)c1ccnc(N)n1;CN(CCN)c1ccnc(n1)N","InChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11)","","2025-01-08","2025-04-25","N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine","2025-04-30"],["XY2","N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE","C12 H15 N5 O4","[O-][N+](=O)c1ccc(c2nonc12)N(CCN(C(=O)C)C)C;CN(CCN(C)c1ccc(c2nonc12)[N+]([O-])=O)C(C)=O;CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-]","InChI=1S/C12H15N5O4/c1-8(18)15(2)6-7-16(3)9-4-5-10(17(19)20)12-11(9)13-21-14-12/h4-5H,6-7H2,1-3H3","","2005-12-06","2024-09-27","N-methyl-N-{2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide",""],["KZC","N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide","C18 H17 N3 O2","O=C(NCCNc1ccccc1)C1=CC(=O)Nc2ccccc21;O=C1Nc2ccccc2C(=C1)C(=O)NCCNc3ccccc3;c1ccc(cc1)NCCNC(=O)C2=CC(=O)Nc3c2cccc3","InChI=1S/C18H17N3O2/c22-17-12-15(14-8-4-5-9-16(14)21-17)18(23)20-11-10-19-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,20,23)(H,21,22)","","2023-08-15","2023-11-03","N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["A1BNV","N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide","C26 H26 F N3 O4 S","O=S1(=O)CCN(CC1)c1ccccc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F;Fc1ccccc1C(=O)N[CH](Cc2ccccc2)C(=O)Nc3ccccc3N4CC[S](=O)(=O)CC4;c1ccc(cc1)CC(C(=O)Nc2ccccc2N3CCS(=O)(=O)CC3)NC(=O)c4ccccc4F","InChI=1S/C26H26FN3O4S/c27-21-11-5-4-10-20(21)25(31)29-23(18-19-8-2-1-3-9-19)26(32)28-22-12-6-7-13-24(22)30-14-16-35(33,34)17-15-30/h1-13,23H,14-18H2,(H,28,32)(H,29,31)/t23-/m1/s1","","2025-01-09","2025-10-03","N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide","2025-10-08"],["XY3","5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide","C29 H31 F3 N6 O3","O=C(N)c4ncc(C#Cc1c(ccc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCN(CCO)CC3)C)n4C;Cn1c(cnc1C(N)=O)C#Cc2cc(ccc2C)C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(c3)C(F)(F)F;Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO","InChI=1S/C29H31F3N6O3/c1-19-3-4-21(15-20(19)6-8-24-17-34-27(26(33)40)36(24)2)28(41)35-23-7-5-22(25(16-23)29(30,31)32)18-38-11-9-37(10-12-38)13-14-39/h3-5,7,15-17,39H,9-14,18H2,1-2H3,(H2,33,40)(H,35,41)","","2010-09-23","2011-06-04","5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide",""],["A1BNY","2-hydroxy-3,5-dinitrobenzoic acid","C7 H4 N2 O7","O=[N+]([O-])c1cc(cc(C(=O)O)c1O)[N+]([O-])=O;OC(=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O;c1c(cc(c(c1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)","3,5-Dinitrosalicylic acid; DNS; DNSA","2025-01-10","2025-05-16","2-hydroxy-3,5-dinitrobenzoic acid","2025-05-21"],["KZD","(2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid","C36 H44 F N3 O4","O=C(O)C(OC(C)(C)C)c1c(c(c2nc(C)cn2c1C)c1ccc(OCCc2ccc(F)cc2)cc1)N1CCC(C)(C)CC1;Cc1cn2c(C)c([CH](OC(C)(C)C)C(O)=O)c(N3CCC(C)(C)CC3)c(c4ccc(OCCc5ccc(F)cc5)cc4)c2n1;Cc1cn2c(c(c(c(c2n1)c3ccc(cc3)OCCc4ccc(cc4)F)N5CCC(CC5)(C)C)C(C(=O)O)OC(C)(C)C)C","InChI=1S/C36H44FN3O4/c1-23-22-40-24(2)29(32(34(41)42)44-35(3,4)5)31(39-19-17-36(6,7)18-20-39)30(33(40)38-23)26-10-14-28(15-11-26)43-21-16-25-8-12-27(37)13-9-25/h8-15,22,32H,16-21H2,1-7H3,(H,41,42)/t32-/m0/s1","","2022-02-25","2022-06-03","(2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid","2022-06-08"],["KZE","[(3~{R},6~{Z},10~{Z},14~{Z},18~{Z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate","C30 H53 O4 P","C[CH](CCO[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)O","InChI=1S/C30H53O4P/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-34-35(31,32)33/h13,15,17,19,21,30H,8-12,14,16,18,20,22-24H2,1-7H3,(H2,31,32,33)/b26-15-,27-17-,28-19-,29-21-/t30-/m1/s1","","2019-07-06","2019-12-13","[(3~{R},6~{Z},10~{Z},14~{Z},18~{Z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate","2019-12-18"],["XY4","N-phenyl-N'-propan-2-ylurea","C10 H14 N2 O","N(C(=O)Nc1ccccc1)C(C)C;CC(C)NC(=O)Nc1ccccc1;CC(C)NC(=O)Nc1ccccc1","InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)","","2021-01-19","2021-01-29","N-phenyl-N'-propan-2-ylurea","2021-02-03"],["A1BNZ","(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide","C21 H23 F N2 O2","O=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)[CH](Cc2ccc(F)cc2)c3ccccc3;c1ccc(cc1)C(Cc2ccc(cc2)F)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide","2025-02-26"],["XY5","2-[[(5~{Z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal","C16 H16 N4 O2","Nc1ccc2CCc3ccc(NCC(O)=O)cc3N=Nc2c1;c1cc2c(cc1N)N=Nc3cc(ccc3CC2)NCC(=O)O","InChI=1S/C16H16N4O2/c17-12-5-3-10-1-2-11-4-6-13(18-9-16(21)22)8-15(11)20-19-14(10)7-12/h3-8,18H,1-2,9,17H2,(H,21,22)/b20-19-","","2018-11-27","2024-09-27","2-[[(5~{Z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanoic acid","2019-02-06"],["A1BO8","(3S)-1-[(2S)-2-(methoxymethyl)oxane-2-carbonyl]piperidine-3-carboxamide","C14 H24 N2 O4","O=C(N1CCCC(C1)C(N)=O)C1(COC)CCCCO1;COC[C]1(CCCCO1)C(=O)N2CCC[CH](C2)C(N)=O;COCC1(CCCCO1)C(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H24N2O4/c1-19-10-14(6-2-3-8-20-14)13(18)16-7-4-5-11(9-16)12(15)17/h11H,2-10H2,1H3,(H2,15,17)/t11-,14-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(2S)-2-(methoxymethyl)oxane-2-carbonyl]piperidine-3-carboxamide","2025-02-26"],["KZF","2-(cyclohexylazaniumyl)ethanesulfonate","C8 H17 N O3 S","[O-][S](=O)(=O)CC[NH2+]C1CCCCC1;C1CCC(CC1)[NH2+]CCS(=O)(=O)[O-]","InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)","","2022-06-08","2022-09-16","2-(cyclohexylazaniumyl)ethanesulfonate","2022-09-21"],["XY6","2,3-di-O-sulfo-beta-D-xylopyranose","C5 H10 O11 S2","OC1OCC(O)C(OS(=O)(=O)O)C1OS(=O)(=O)O;O[CH]1CO[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C5H10O11S2/c6-2-1-14-5(7)4(16-18(11,12)13)3(2)15-17(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)/t2-,3+,4-,5-/m1/s1","","2022-08-09","2023-07-07","2,3-di-O-sulfo-beta-D-xylopyranose","2023-07-12"],["A1BOB","(3S)-1-[(3-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide","C14 H19 N3 O2","O=C(Cc1ccncc1C)N1CCCC(C1)C(N)=O;Cc1cnccc1CC(=O)N2CCC[CH](C2)C(N)=O;Cc1cnccc1CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H19N3O2/c1-10-8-16-5-4-11(10)7-13(18)17-6-2-3-12(9-17)14(15)19/h4-5,8,12H,2-3,6-7,9H2,1H3,(H2,15,19)/t12-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(3-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["KZG","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti\nc acid","C14 H14 I N3 O4 S","NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I;N[CH](CS)C1=NC(=Cc2ccc(O)c(I)c2)C(=O)N1CC(O)=O;c1cc(c(cc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)I)O","InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)3-I","2019-01-28","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["XY7","1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione","C9 H12 F N2 O7 P","C2(NC(=O)N(C1OC(C(C1F)O)COP(O)O)C=C2)=O;O[CH]1[CH](F)[CH](O[CH]1COP(O)O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)O)O)F","InChI=1S/C9H12FN2O7P/c10-6-7(14)4(3-18-20(16)17)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14,16-17H,3H2,(H,11,13,15)/t4-,6-,7-,8-/m0/s1","","2021-01-19","2021-08-27","1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione","2021-09-01"],["A1BOE","(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide","C14 H18 N2 O3","NC(=O)C1CCC(=O)N(Cc2ccccc2OC)C1;COc1ccccc1CN2C[CH](CCC2=O)C(N)=O;COc1ccccc1CN2CC(CCC2=O)C(=O)N","InChI=1S/C14H18N2O3/c1-19-12-5-3-2-4-10(12)8-16-9-11(14(15)18)6-7-13(16)17/h2-5,11H,6-9H2,1H3,(H2,15,18)/t11-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide","2025-02-26"],["KZH","(13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid)","C18 H28 O3","CCC=CCC(=O)C=CC=CCCCCCCCC(O)=O;CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O","InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7?,11-3?,15-12+","","2015-06-01","2016-09-23","13-oxidanylideneoctadeca-9,11,15-trienoic acid","2016-09-28"],["A1BOF","(3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide","C17 H20 N4 O2","O=C(C(c1ccccc1)n1cccn1)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)[CH](n2cccn2)c3ccccc3;c1ccc(cc1)C(C(=O)N2CCCC(C2)C(=O)N)n3cccn3","InChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XY8","3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine","C22 H26 F2 N6","CC(C)Nc1nc2cc(C)ncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1;CC(C)Nc1nc2cc(C)ncc2nc1N3CCN(CC3)Cc4ccc(F)cc4F;Cc1cc2c(cn1)nc(c(n2)NC(C)C)N3CCN(CC3)Cc4ccc(cc4F)F","InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)","","2023-06-05","2024-11-29","3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine","2024-12-04"],["KZI","5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide","C19 H26 N6 O3","COc1cc(Nc2nc(N[CH]3CCCC[CH]3N)cnc2C(N)=O)cc(OC)c1;COc1cc(cc(c1)OC)Nc2c(ncc(n2)NC3CCCCC3N)C(=O)N","InChI=1S/C19H26N6O3/c1-27-12-7-11(8-13(9-12)28-2)23-19-17(18(21)26)22-10-16(25-19)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,23,24,25)/t14-,15+/m0/s1","","2010-01-07","2011-06-04","5-[[(1R,2S)-2-azanylcyclohexyl]amino]-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide",""],["A1BOQ","(3S)-1-[(3-cyano-2-methoxyphenyl)acetyl]piperidine-3-carboxamide","C16 H19 N3 O3","O=C(Cc1cccc(C#N)c1OC)N1CCCC(C1)C(N)=O;COc1c(CC(=O)N2CCC[CH](C2)C(N)=O)cccc1C#N;COc1c(cccc1C#N)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C16H19N3O3/c1-22-15-11(4-2-5-12(15)9-17)8-14(20)19-7-3-6-13(10-19)16(18)21/h2,4-5,13H,3,6-8,10H2,1H3,(H2,18,21)/t13-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(3-cyano-2-methoxyphenyl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XY9","2,3,4-tri-O-sulfo-beta-D-xylopyranose","C5 H10 O14 S3","OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O;O[CH]1OC[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1","","2022-08-09","2023-11-06","2,3,4-tri-O-sulfo-beta-D-xylopyranose","2023-07-12"],["KZJ","6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide","C23 H20 N8 O2","N1(C(=O)C(=CC=C1)Nc2cc(c4n(n2)c(C(=O)NC3CC3)cn4)NC)c5ccc(cc5)C#N;CNc1cc(NC2=CC=CN(C2=O)c3ccc(cc3)C#N)nn4c(cnc14)C(=O)NC5CC5;CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N","InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29)","","2019-01-28","2020-01-24","6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide","2020-01-29"],["A1BOR","(3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide","C14 H16 N2 O4","NC(=O)C1CCC(=O)N(C1)Cc1cccc2OCOc12;NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3OCOc23;c1cc(c2c(c1)OCO2)CN3CC(CCC3=O)C(=O)N","InChI=1S/C14H16N2O4/c15-14(18)10-4-5-12(17)16(7-10)6-9-2-1-3-11-13(9)20-8-19-11/h1-3,10H,4-8H2,(H2,15,18)/t10-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide","2025-02-26"],["KZK","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{H}-indol-3-yl)ethanamide","C23 H27 N3 O4 S","COc1ccc(cc1NC(=O)Cc2c[nH]c3ccccc23)[S](=O)(=O)N4CCCCCC4;COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4","InChI=1S/C23H27N3O4S/c1-30-22-11-10-18(31(28,29)26-12-6-2-3-7-13-26)15-21(22)25-23(27)14-17-16-24-20-9-5-4-8-19(17)20/h4-5,8-11,15-16,24H,2-3,6-7,12-14H2,1H3,(H,25,27)","","2019-07-06","2019-09-20","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{H}-indol-3-yl)ethanamide","2019-09-25"],["XYA","2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL","C10 H13 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1","9-BETA-D-XYLOFURANOSYL-ADENINE","2003-06-23","2021-03-01","9-beta-D-xylofuranosyl-9H-purin-6-amine",""],["KZL","5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide","C18 H24 N8 O3","COc1cc(Nc2nc(NC(C)(C)CN)n3cnnc3c2C(N)=O)cc(OC)c1;CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC","InChI=1S/C18H24N8O3/c1-18(2,8-19)24-17-23-15(13(14(20)27)16-25-21-9-26(16)17)22-10-5-11(28-3)7-12(6-10)29-4/h5-7,9,22H,8,19H2,1-4H3,(H2,20,27)(H,23,24)","","2010-01-12","2011-06-04","5-[(1-azanyl-2-methyl-propan-2-yl)amino]-7-[(3,5-dimethoxyphenyl)amino]-[1,2,4]triazolo[3,4-f]pyrimidine-8-carboxamide",""],["A1BOU","(3S)-N~1~-(2-chloro-6-methoxyphenyl)piperidine-1,3-dicarboxamide","C14 H18 Cl N3 O3","O=C(Nc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O;COc1cccc(Cl)c1NC(=O)N2CCC[CH](C2)C(N)=O;COc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)Cl","InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(15)12(11)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1","","2025-01-10","2025-02-21","(3S)-N~1~-(2-chloro-6-methoxyphenyl)piperidine-1,3-dicarboxamide","2025-02-26"],["XYB","4-O-beta-D-xylopyranosyl-beta-D-xylopyranose","C10 H18 O9","O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O;O[CH]1CO[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O","InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1","xylobiose","2012-05-29","2021-03-01","4-O-beta-D-xylopyranosyl-beta-D-xylopyranose","2016-08-31"],["KZM","5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide","C26 H30 N8 O4","COc1cc(Nc2nc(N[CH]3CCCC[CH]3N)n4nc(nc4c2C(N)=O)c5cccc(O)c5)cc(OC)c1;COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)NC4CCCCC4N)c5cccc(c5)O)C(=O)N","InChI=1S/C26H30N8O4/c1-37-17-11-15(12-18(13-17)38-2)29-24-21(22(28)36)25-31-23(14-6-5-7-16(35)10-14)33-34(25)26(32-24)30-20-9-4-3-8-19(20)27/h5-7,10-13,19-20,29,35H,3-4,8-9,27H2,1-2H3,(H2,28,36)(H,30,32)/t19-,20+/m0/s1","","2010-01-12","2011-06-04","5-[[(1R,2S)-2-azanylcyclohexyl]amino]-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)-[1,2,4]triazolo[5,1-f]pyrimidine-8-carboxamide",""],["A1BOV","(3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide","C14 H18 Cl N3 O3","O=C(Nc1cccc(OC)c1Cl)N1CCCC(C1)C(N)=O;COc1cccc(NC(=O)N2CCC[CH](C2)C(N)=O)c1Cl;COc1cccc(c1Cl)NC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(12(11)15)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1","","2025-01-10","2025-02-21","(3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide","2025-02-26"],["XYC","(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid","C8 H15 N O2","N[CH](CC1CCCC1)C(O)=O;C1CCC(C1)CC(C(=O)O)N","InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1","","2016-06-10","2024-09-27","(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid","2017-05-31"],["KZN","~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","C26 H24 N4 O5 S","COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)N4CCc5ccccc5C4;COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4","InChI=1S/C26H24N4O5S/c1-35-24-11-10-19(36(33,34)30-13-12-17-6-2-3-7-18(17)16-30)14-23(24)27-25(31)15-22-20-8-4-5-9-21(20)26(32)29-28-22/h2-11,14H,12-13,15-16H2,1H3,(H,27,31)(H,29,32)","","2019-07-08","2019-09-20","~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","2019-09-25"],["XYD","2,5-DIMETHYLANILINE","C8 H11 N","Nc1cc(ccc1C)C;Cc1ccc(C)c(N)c1;Cc1ccc(c(c1)N)C","InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3","2,5-XYLIDINE","2002-02-07","2021-03-13","2,5-dimethylaniline",""],["XYE","tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate","C23 H32 Cl N3 O3","CC(C)(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2CCN(Cc21)C(=O)OC(C)(C)C;Cc1cc(OCc2n[nH]c3CCN(Cc23)C(=O)OC(C)(C)C)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)OCc2c3c([nH]n2)CCN(C3)C(=O)OC(C)(C)C","InChI=1S/C23H32ClN3O3/c1-14-10-20(16(11-17(14)24)22(2,3)4)29-13-19-15-12-27(9-8-18(15)25-26-19)21(28)30-23(5,6)7/h10-11H,8-9,12-13H2,1-7H3,(H,25,26)","","2023-06-08","2024-12-13","tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate","2024-12-18"],["A1BOZ","(3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide","C15 H20 N2 O2","O=C(Cc1cccc(C)c1)N1CCCC(C1)C(N)=O;Cc1cccc(CC(=O)N2CCC[CH](C2)C(N)=O)c1;Cc1cccc(c1)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C15H20N2O2/c1-11-4-2-5-12(8-11)9-14(18)17-7-3-6-13(10-17)15(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)/t13-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide","2025-02-26"],["KZO","Astragaloside IV","C41 H68 O14","CC(C)(O)[CH]1CC[C](C)(O1)[CH]2[CH](O)C[C]3(C)[CH]4C[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]6C(C)(C)[CH](CC[C]67C[C]47CC[C]23C)O[CH]8OC[CH](O)[CH](O)[CH]8O;CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C","InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34-,37-,38+,39-,40+,41-/m1/s1","","2022-11-01","2023-09-08","","2023-09-13"],["XYF","5(R)-fluoro-beta-D-xylopyranose","C5 H8 F O5","[O-]C1OC(F)C(O)C(O)C1O;O[CH]1[CH]([O-])O[CH](F)[CH](O)[CH]1O;C1(C(C(OC(C1O)F)[O-])O)O","InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1","5(R)-fluoro-beta-D-xylose; 5(R)-fluoro-D-xylose; 5(R)-fluoro-xylose","2004-10-23","2024-09-27","(2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name)",""],["KZP","5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine","C25 H20 Cl N7","c2cnc(Nc1ccc(Cl)cc1)c5c2c(C#Cc4c3c(N)ncnc3n(CC)n4)c(cc5)C;CCn1nc(C#Cc2c(C)ccc3c(Nc4ccc(Cl)cc4)nccc23)c5c(N)ncnc15;CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N","InChI=1S/C25H20ClN7/c1-3-33-25-22(23(27)29-14-30-25)21(32-33)11-10-18-15(2)4-9-20-19(18)12-13-28-24(20)31-17-7-5-16(26)6-8-17/h4-9,12-14H,3H2,1-2H3,(H,28,31)(H2,27,29,30)","","2019-01-28","2019-06-14","5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine","2019-06-19"],["A1BPA","1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide","C15 H16 N4 O2","Cc1nn(C)c2cc(ccc12)C(=O)NCCc1cocn1;Cn1nc(C)c2ccc(cc12)C(=O)NCCc3cocn3;Cc1c2ccc(cc2n(n1)C)C(=O)NCCc3cocn3","InChI=1S/C15H16N4O2/c1-10-13-4-3-11(7-14(13)19(2)18-10)15(20)16-6-5-12-8-21-9-17-12/h3-4,7-9H,5-6H2,1-2H3,(H,16,20)","","2025-01-10","2025-02-21","1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide","2025-02-26"],["XYG","[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C14 H13 N3 O4","O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2;CC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;[H]N=C(C)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O","InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+","CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY)","2006-11-16","2024-09-27","{(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["A1BPB","(3S)-1-{[3-bromo-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide","C15 H19 Br N2 O2 S","O=C(Cc1cccc(Br)c1SC)N1CCCC(C1)C(N)=O;CSc1c(Br)cccc1CC(=O)N2CCC[CH](C2)C(N)=O;CSc1c(cccc1Br)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C15H19BrN2O2S/c1-21-14-10(4-2-6-12(14)16)8-13(19)18-7-3-5-11(9-18)15(17)20/h2,4,6,11H,3,5,7-9H2,1H3,(H2,17,20)/t11-/m0/s1","","2025-01-10","2025-02-21","(3S)-1-{[3-bromo-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide","2025-02-26"],["KZQ","(4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide","C19 H16 F N5 O2","Fc1ccc(cc1)C4NC(=O)NC(=C4C(=O)Nc2cc3cnnc3cc2)C;CC1=C([CH](NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4n[nH]cc4c3;CC1=C(C(NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4","InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)/t17-/m0/s1","","2014-05-28","2014-10-03","(4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide","2014-10-08"],["KZR","N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide","C23 H39 N5 O","CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1;CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2;CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CC1)CCc2ccccc2","InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)","","2022-02-25","2022-12-02","N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide","2022-12-07"],["XYH","XYLAROHYDROXAMATE","C5 H8 N O7","O=C(NO)C(O)C(O)C(O)C([O-])=O;ONC(=O)[CH](O)[CH](O)[CH](O)C([O-])=O;C(C(C(=O)NO)O)(C(C(=O)[O-])O)O","InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3+/m0/s1","","2000-01-31","2011-06-04","(2R,3S,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoate (non-preferred name)",""],["A1BPE","(3S)-1-[(2R)-2,4-diphenylbutanoyl]piperidine-3-carboxamide","C22 H26 N2 O2","O=C(C(CCc1ccccc1)c1ccccc1)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)[CH](CCc2ccccc2)c3ccccc3;c1ccc(cc1)CCC(c2ccccc2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C22H26N2O2/c23-21(25)19-12-7-15-24(16-19)22(26)20(18-10-5-2-6-11-18)14-13-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2,(H2,23,25)/t19-,20+/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(2R)-2,4-diphenylbutanoyl]piperidine-3-carboxamide","2025-02-26"],["KZS","N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine","C20 H38 N4 O2","CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC;CCOCC1(CCC(CC1)c2[nH]ncc2CN(C)CCNC)COCC;CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC","InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23)","GSK3368715","2019-01-28","2020-06-17","N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine","2019-07-10"],["XYI","5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide","C30 H38 N6 O2","CC(C)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C;CC(C)n1cc(cn1)c2cc(cc(c2)c3cnn(C)c3)[CH](C)NC(=O)c4cc(OCCN(C)C)ccc4C;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cnn(c3)C(C)C)c4cnn(c4)C)OCCN(C)C","InChI=1S/C30H38N6O2/c1-20(2)36-19-27(17-32-36)25-13-23(12-24(14-25)26-16-31-35(7)18-26)22(4)33-30(37)29-15-28(9-8-21(29)3)38-11-10-34(5)6/h8-9,12-20,22H,10-11H2,1-7H3,(H,33,37)","","2023-11-14","2024-03-29","5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide","2024-04-03"],["A1BPF","(3S)-1-[1-(furan-3-yl)cyclobutane-1-carbonyl]piperidine-3-carboxamide","C15 H20 N2 O3","NC(=O)C1CCCN(C1)C(=O)C1(CCC1)c1ccoc1;NC(=O)[CH]1CCCN(C1)C(=O)C2(CCC2)c3cocc3;c1cocc1C2(CCC2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H20N2O3/c16-13(18)11-3-1-7-17(9-11)14(19)15(5-2-6-15)12-4-8-20-10-12/h4,8,10-11H,1-3,5-7,9H2,(H2,16,18)/t11-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[1-(furan-3-yl)cyclobutane-1-carbonyl]piperidine-3-carboxamide","2025-02-26"],["XYJ","3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide","C16 H24 N6 O6 S2","C(NS(CCN1CCOCC1)(=O)=O)(CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3)=O;CN1C(=O)N(C)c2[nH]c(SCCC(=O)N[S](=O)(=O)CCN3CCOCC3)nc2C1=O;CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C","InChI=1S/C16H24N6O6S2/c1-20-13-12(14(24)21(2)16(20)25)17-15(18-13)29-9-3-11(23)19-30(26,27)10-6-22-4-7-28-8-5-22/h3-10H2,1-2H3,(H,17,18)(H,19,23)","","2021-01-20","2021-02-12","3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide","2021-02-17"],["A1BPI","(3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]pyrrolidine-3-carboxamide","C15 H18 N4 O2","NC(=O)C1CCN(C1)C(=O)Cc1cccc2nn(C)cc12;Cn1cc2c(CC(=O)N3CC[CH](C3)C(N)=O)cccc2n1;Cn1cc2c(cccc2n1)CC(=O)N3CCC(C3)C(=O)N","InChI=1S/C15H18N4O2/c1-18-9-12-10(3-2-4-13(12)17-18)7-14(20)19-6-5-11(8-19)15(16)21/h2-4,9,11H,5-8H2,1H3,(H2,16,21)/t11-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]pyrrolidine-3-carboxamide","2025-02-26"],["KZT","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide","C24 H27 N3 O4 S","COc1ccc(cc1NC(=O)Cc2ccnc3ccccc23)[S](=O)(=O)N4CCCCCC4;COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4","InChI=1S/C24H27N3O4S/c1-31-23-11-10-19(32(29,30)27-14-6-2-3-7-15-27)17-22(23)26-24(28)16-18-12-13-25-21-9-5-4-8-20(18)21/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,28)","","2019-07-08","2019-09-20","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide","2019-09-25"],["A1BPR","(3S)-1-[(2,1,3-benzoxadiazol-4-yl)acetyl]piperidine-3-carboxamide","C14 H16 N4 O3","NC(=O)C1CCCN(C1)C(=O)Cc1cccc2nonc12;NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3nonc23;c1cc(c2c(c1)non2)CC(=O)N3CCCC(C3)C(=O)N","InChI=1S/C14H16N4O3/c15-14(20)10-4-2-6-18(8-10)12(19)7-9-3-1-5-11-13(9)17-21-16-11/h1,3,5,10H,2,4,6-8H2,(H2,15,20)/t10-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(2,1,3-benzoxadiazol-4-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XYK","(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)acetic acid","C17 H10 F3 N3 O3 S2","O=C(O)CC1=NN(Cc2nc3cc(ccc3s2)C(F)(F)F)C(=O)c2cscc21;OC(=O)CC1=NN(Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4cscc14;c1cc2c(cc1C(F)(F)F)nc(s2)CN3C(=O)c4cscc4C(=N3)CC(=O)O","InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)","","2022-12-14","2023-12-15","(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)acetic acid","2023-12-20"],["KZU","2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide","C24 H27 N7 O3 S2","COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4nc(C)cc(C)n4)nc3)c2)nn1;Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)CCOC)C","InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32)","triazole-based sirtuin-rearranging ligand (SirReal)","2022-06-08","2023-11-10","2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide","2023-11-15"],["A1BPU","(3S,4R)-1-[(2-methoxyphenyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide","C15 H17 F3 N2 O3","FC(F)(F)C1CN(CC1C(N)=O)C(=O)Cc1ccccc1OC;COc1ccccc1CC(=O)N2C[CH]([CH](C2)C(F)(F)F)C(N)=O;COc1ccccc1CC(=O)N2CC(C(C2)C(F)(F)F)C(=O)N","InChI=1S/C15H17F3N2O3/c1-23-12-5-3-2-4-9(12)6-13(21)20-7-10(14(19)22)11(8-20)15(16,17)18/h2-5,10-11H,6-8H2,1H3,(H2,19,22)/t10-,11+/m1/s1","","2025-01-13","2025-02-21","(3S,4R)-1-[(2-methoxyphenyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide","2025-02-26"],["XYL","Xylitol","C5 H12 O5","OC(CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO;C(C(C(C(CO)O)O)O)O","InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+","D-Xylitol","1999-07-08","2020-07-17","D-xylitol",""],["KZV","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace\ntic acid","C14 H14 F N3 O4 S","NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O;N[CH](CS)C1=NC(=Cc2ccc(O)c(F)c2)C(=O)N1CC(O)=O;c1cc(c(cc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)F)O","InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)-3F","2019-01-28","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["A1BPV","(3S)-N~1~-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide","C15 H21 N3 O3","O=C(Nc1ccccc1COC)N1CCCC(C1)C(N)=O;COCc1ccccc1NC(=O)N2CCC[CH](C2)C(N)=O;COCc1ccccc1NC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C15H21N3O3/c1-21-10-12-5-2-3-7-13(12)17-15(20)18-8-4-6-11(9-18)14(16)19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,16,19)(H,17,20)/t11-/m0/s1","","2025-01-13","2025-02-21","(3S)-N~1~-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide","2025-02-26"],["KZX","2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide","C14 H13 F N2 O","O=C(Nc1cnccc1C)Cc1cccc(F)c1;Cc1ccncc1NC(=O)Cc2cccc(F)c2;Cc1ccncc1NC(=O)Cc2cccc(c2)F","InChI=1S/C14H13FN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)","","2023-08-15","2023-11-03","2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["XYM","(2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid","C5 H6 O5 S","OC(=O)CSC=C(O)C(O)=O;C(C(=O)O)SC=C(C(=O)O)O","InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1,6H,2H2,(H,7,8)(H,9,10)/b3-1-","(2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid","2010-02-05","2021-03-01","(Z)-3-(carboxymethylsulfanyl)-2-hydroxy-prop-2-enoic acid",""],["KZY","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H17 N3 O4 S","NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C;Cc1cc(ccc1O)C=C2N=C([CH](N)CS)N(CC(O)=O)C2=O;Cc1cc(ccc1O)C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O","InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)3-CH3","2019-01-28","2024-09-27","{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-06-12"],["A1BPY","(3S)-1-{[4-(3,5-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]acetyl}piperidine-3-carboxamide","C18 H20 Cl2 N4 O2","Cn1ncc(c2cc(Cl)cc(Cl)c2)c1CC(=O)N1CCCC(C1)C(N)=O;Cn1ncc(c2cc(Cl)cc(Cl)c2)c1CC(=O)N3CCC[CH](C3)C(N)=O;Cn1c(c(cn1)c2cc(cc(c2)Cl)Cl)CC(=O)N3CCCC(C3)C(=O)N","InChI=1S/C18H20Cl2N4O2/c1-23-16(8-17(25)24-4-2-3-11(10-24)18(21)26)15(9-22-23)12-5-13(19)7-14(20)6-12/h5-7,9,11H,2-4,8,10H2,1H3,(H2,21,26)/t11-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-{[4-(3,5-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]acetyl}piperidine-3-carboxamide","2025-02-26"],["XYN","3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid","C5 H6 O5 S","OC(=O)CSCC(=O)C(O)=O;C(C(=O)C(=O)O)SCC(=O)O","InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)","3-(carboxymethylthio)-2-oxopropanoic acid","2010-02-05","2021-03-01","3-(carboxymethylsulfanyl)-2-oxo-propanoic acid",""],["A1BPZ","(3S)-1-{[2-(sulfamoylmethyl)phenyl]acetyl}piperidine-3-carboxamide","C15 H21 N3 O4 S","O=C(Cc1ccccc1CS(N)(=O)=O)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2C[S](N)(=O)=O;c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)CS(=O)(=O)N","InChI=1S/C15H21N3O4S/c16-15(20)12-6-3-7-18(9-12)14(19)8-11-4-1-2-5-13(11)10-23(17,21)22/h1-2,4-5,12H,3,6-10H2,(H2,16,20)(H2,17,21,22)/t12-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-{[2-(sulfamoylmethyl)phenyl]acetyl}piperidine-3-carboxamide","2025-02-26"],["KZZ","1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","C32 H33 N5 O2","COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4cccc5ccccc45)c3C2)c6ccccc16;COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3","InChI=1S/C32H33N5O2/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-36-17-15-29-28(21-36)31(35-37(29)18-16-33)32(38)34-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21,33H2,1H3,(H,34,38)","","2016-12-19","2017-03-10","1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","2017-03-15"],["XYO","ethyl (5P)-5-(3-bromophenyl)-1H-pyrazole-3-carboxylate","C12 H11 Br N2 O2","CCOC(=O)c1cc([NH]n1)c1cccc(Br)c1;CCOC(=O)c1cc([nH]n1)c2cccc(Br)c2;CCOC(=O)c1cc([nH]n1)c2cccc(c2)Br","InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,15)","","2023-06-08","2024-12-13","ethyl (5P)-5-(3-bromophenyl)-1H-pyrazole-3-carboxylate","2024-12-18"],["A1BQA","(3S)-1-[(7R)-5-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]piperidine-3-carboxamide","C15 H17 Cl N2 O2","O=C(C1Cc2cccc(Cl)c21)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2Cc3cccc(Cl)c23;c1cc2c(c(c1)Cl)C(C2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H17ClN2O2/c16-12-5-1-3-9-7-11(13(9)12)15(20)18-6-2-4-10(8-18)14(17)19/h1,3,5,10-11H,2,4,6-8H2,(H2,17,19)/t10-,11+/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(7R)-5-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]piperidine-3-carboxamide","2025-02-26"],["XYP","beta-D-xylopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1","beta-D-xylose; D-xylose; xylose","1999-07-08","2024-09-27","beta-D-xylopyranose",""],["L00","(2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid\nin-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine","C26 H35 Cl N6 O4 S","O=S(=O)(N(c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(N)(C)Cc4ccccc4)C)C;COCCN(C[CH]1C[CH]1C)c2cc(c(Cl)c(n2)N(C)[S](C)(=O)=O)c3oc(nn3)[C](C)(N)Cc4ccccc4;CC1CC1CN(CCOC)c2cc(c(c(n2)N(C)S(=O)(=O)C)Cl)c3nnc(o3)C(C)(Cc4ccccc4)N","InChI=1S/C26H35ClN6O4S/c1-17-13-19(17)16-33(11-12-36-4)21-14-20(22(27)23(29-21)32(3)38(5,34)35)24-30-31-25(37-24)26(2,28)15-18-9-7-6-8-10-18/h6-10,14,17,19H,11-13,15-16,28H2,1-5H3/t17-,19+,26+/m0/s1","N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO\nPROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE","2006-11-10","2020-06-17","N-(4-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]pyridin-2-yl)-N-methylmethanesulfonamide",""],["XYQ","(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE","C17 H25 N5 O15 P2","O=C(OC1OC(C(O)C1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C;CC(=O)O[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O;CC(=O)OC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O","InChI=1S/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1","ACETYL-RIBOSYL-ADP","2006-07-13","2024-09-27","(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name)",""],["A1BQB","(3S)-1-[(1R)-7-hydroxy-2,3-dihydro-1H-indene-1-carbonyl]piperidine-3-carboxamide","C16 H20 N2 O3","O=C(C1CCc2cccc(O)c21)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3cccc(O)c23;c1cc2c(c(c1)O)C(CC2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C16H20N2O3/c17-15(20)11-4-2-8-18(9-11)16(21)12-7-6-10-3-1-5-13(19)14(10)12/h1,3,5,11-12,19H,2,4,6-9H2,(H2,17,20)/t11-,12+/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(1R)-7-hydroxy-2,3-dihydro-1H-indene-1-carbonyl]piperidine-3-carboxamide","2025-02-26"],["L01","3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE","C32 H41 N3 O4","O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3;CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(OC)c3;CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(CNCc3cccc(c3)OC)O","InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2006-10-19","2020-06-17","N'-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N,N-dipropylbenzene-1,3-dicarboxamide",""],["L02","4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE","C14 H16 Cl N3","Clc1ccc(cc1)c2nnc(c2)C3CCNCC3;Clc1ccc(cc1)c2cc([nH]n2)C3CCNCC3;c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl","InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)","","2004-10-28","2011-06-04","4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine",""],["XYR","N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","C28 H32 F2 N6 O2","FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C;C[CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(cc(c2)c3cnn(c3)C(F)F)c4cnn(C)c4;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cnn(c3)C(F)F)c4cnn(c4)C)OCCN(C)C","InChI=1S/C28H32F2N6O2/c1-18-6-7-25(38-9-8-34(3)4)13-26(18)27(37)33-19(2)20-10-21(23-14-31-35(5)16-23)12-22(11-20)24-15-32-36(17-24)28(29)30/h6-7,10-17,19,28H,8-9H2,1-5H3,(H,33,37)","","2023-11-14","2024-03-29","N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","2024-04-03"],["A1BQE","(3S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide","C15 H19 Br N2 O2 S","O=C(Cc1cc(Br)ccc1SC)N1CCCC(C1)C(N)=O;CSc1ccc(Br)cc1CC(=O)N2CCC[CH](C2)C(N)=O;CSc1ccc(cc1CC(=O)N2CCCC(C2)C(=O)N)Br","InChI=1S/C15H19BrN2O2S/c1-21-13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide","2025-02-26"],["A1BQF","(3S)-1-[(4-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide","C15 H19 Cl N2 O3","O=C(Cc1ccc(Cl)cc1OC)N1CCCC(C1)C(N)=O;COc1cc(Cl)ccc1CC(=O)N2CCC[CH](C2)C(N)=O;COc1cc(ccc1CC(=O)N2CCCC(C2)C(=O)N)Cl","InChI=1S/C15H19ClN2O3/c1-21-13-8-12(16)5-4-10(13)7-14(19)18-6-2-3-11(9-18)15(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,17,20)/t11-/m0/s1","","2025-01-13","2025-02-21","(3S)-1-[(4-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XYS","alpha-D-xylopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1","alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE","1999-07-08","2024-09-27","alpha-D-xylopyranose",""],["L03","3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE","C9 H8 Cl N3 S","Clc1ccc(cc1)c2nnc(SC)n2;CSc1[nH]c(nn1)c2ccc(Cl)cc2;CSc1[nH]c(nn1)c2ccc(cc2)Cl","InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)","","2004-11-01","2011-06-04","3-(4-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole",""],["L04","6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID","C43 H48 F N3 O5","O=C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)cc2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)CC(C)C;CC(C)C[CH](NC(=O)[CH](CCc1ccc(cc1)c2ccc(F)cc2)C[CH](CCCCN3Cc4ccccc4C3=O)C(O)=O)C(=O)Nc5ccccc5;CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(CCc2ccc(cc2)c3ccc(cc3)F)CC(CCCCN4Cc5ccccc5C4=O)C(=O)O","InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1","L004","1999-07-08","2021-03-01","(2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid",""],["XYT","Cellobiose-6-phosphate","C12 H23 O14 P","OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O;C(C1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O","InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1","","2017-07-25","2020-07-17","[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate","2017-10-18"],["A1BQQ","2-{(3R)-1-[(2-methoxyphenyl)acetyl]pyrrolidin-3-yl}acetamide","C15 H20 N2 O3","O=C(Cc1ccccc1OC)N1CCC(CC(N)=O)C1;COc1ccccc1CC(=O)N2CC[CH](C2)CC(N)=O;COc1ccccc1CC(=O)N2CCC(C2)CC(=O)N","InChI=1S/C15H20N2O3/c1-20-13-5-3-2-4-12(13)9-15(19)17-7-6-11(10-17)8-14(16)18/h2-5,11H,6-10H2,1H3,(H2,16,18)","","2025-01-13","2025-02-21","2-{(3R)-1-[(2-methoxyphenyl)acetyl]pyrrolidin-3-yl}acetamide","2025-02-26"],["A1BQR","1-methyl-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine","C13 H17 N3","Cn1ccc(Nc2c(C)cc(C)cc2C)n1;Cn1ccc(Nc2c(C)cc(C)cc2C)n1;Cc1cc(c(c(c1)C)Nc2ccn(n2)C)C","InChI=1S/C13H17N3/c1-9-7-10(2)13(11(3)8-9)14-12-5-6-16(4)15-12/h5-8H,1-4H3,(H,14,15)","","2025-01-13","2025-02-21","1-methyl-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine","2025-02-26"],["L05","1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE","C24 H20 N2 O3","O=C1C(=C(C(=O)N1Cc2ccccc2)Nc3ccc(OC)cc3)c4ccccc4;COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c4ccccc4)cc1;COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4","InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3","","2005-08-16","2011-06-04","1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione",""],["XYU","(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone","C51 H81 N O13","OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(O)C1)CCC2C;CO[CH]1C[CH](CC[CH]1O)C[CH](C)[CH]2C[CH](O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC;CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)O)C)C)O)OC)C)C)C)OC","InChI=1S/C51H81NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-44,46-47,53-54,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,41-,42+,43+,44-,46-,47+,51-/m1/s1","","2022-12-14","2022-12-23","(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone","2022-12-28"],["XYV","prostratin","C22 H30 O6","C12(C4C(CC(CO)=CC1C3C(CC2C)(C3(C)C)OC(=O)C)(C(C(=C4)C)=O)O)O;C[CH]1C[C]2(OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C=C(C)C4=O)[C]13O)C2(C)C;CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C","InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1","12-deoxyphorbol-13-acetate; (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","2021-01-20","2022-04-29","(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","2022-05-04"],["A1BQU","1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide","C13 H13 N5 O2","Cn1nc(C(=O)NCCc2cocn2)c2cccnc21;Cn1nc(C(=O)NCCc2cocn2)c3cccnc13;Cn1c2c(cccn2)c(n1)C(=O)NCCc3cocn3","InChI=1S/C13H13N5O2/c1-18-12-10(3-2-5-14-12)11(17-18)13(19)15-6-4-9-7-20-8-16-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,19)","","2025-01-13","2025-02-21","1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide","2025-02-26"],["L06","5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID","C7 H15 N3 O2 S","O=C(O)C(CCCNC(=[N@H])N)CS;NC(=N)NCCC[CH](CS)C(O)=O;C(CC(CS)C(=O)O)CNC(=N)N","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)/t5-/m0/s1","","2005-04-28","2011-06-04","(2R)-5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid",""],["L07","2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine","C13 H13 N3 S","n2c1ccccc1c3sc(nc3c2N)CCC;CCCc1sc2c3ccccc3nc(N)c2n1;CCCc1nc2c(s1)c3ccccc3nc2N","InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)","CL075; 3M-002","2013-01-22","2021-03-13","2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine","2013-04-03"],["XYW","2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","C30 H26 F2 N6 O5 S3","C[S](=O)(=O)c1cccc(Nc2nccc(n2)c3sc(nc3c4cccc(N[S](=O)(=O)c5c(F)cccc5F)c4)N6CCOCC6)c1;CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F","InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)","","2015-09-24","2015-10-16","2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","2015-10-21"],["XYX","3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide","C24 H23 B N O5","CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2;[B-]1(c2c(cccc2CCC(=O)Nc3cccc(c3)c4ccc(cc4)C(=O)C)CO1)(O)O","InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1","","2023-06-09","2023-11-03","3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide","2023-11-08"],["A1BQY","1-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide","C19 H20 N4 O","O=C(NCC1Cc2ccccc2CN1)c1nn(C)c2ccccc21;Cn1nc(C(=O)NC[CH]2Cc3ccccc3CN2)c4ccccc14;Cn1c2ccccc2c(n1)C(=O)NCC3Cc4ccccc4CN3","InChI=1S/C19H20N4O/c1-23-17-9-5-4-8-16(17)18(22-23)19(24)21-12-15-10-13-6-2-3-7-14(13)11-20-15/h2-9,15,20H,10-12H2,1H3,(H,21,24)/t15-/m0/s1","","2025-01-14","2025-02-07","1-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide","2025-02-12"],["L08","1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE","C25 H26 N4 O4 S","[O-][N+](=O)c2c(Sc1ccccc1OCC)ccc(c2)c3cc(ncc3)N4CCN(C(=O)C)CC4;CCOc1ccccc1Sc2ccc(cc2[N+]([O-])=O)c3ccnc(c3)N4CCN(CC4)C(C)=O;CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C","InChI=1S/C25H26N4O4S/c1-3-33-22-6-4-5-7-24(22)34-23-9-8-19(16-21(23)29(31)32)20-10-11-26-25(17-20)28-14-12-27(13-15-28)18(2)30/h4-11,16-17H,3,12-15H2,1-2H3","","2003-11-11","2011-06-04","1-acetyl-4-(4-{4-[(2-ethoxyphenyl)sulfanyl]-3-nitrophenyl}pyridin-2-yl)piperazine",""],["L09","N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA","C20 H22 Cl N5 O2","O=C(Nc1cc(nn1)C(C)(C)C)Nc2cc(c(Cl)cc2)COc3cccnc3;CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2;CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl","InChI=1S/C20H22ClN5O2/c1-20(2,3)17-10-18(26-25-17)24-19(27)23-14-6-7-16(21)13(9-14)12-28-15-5-4-8-22-11-15/h4-11H,12H2,1-3H3,(H3,23,24,25,26,27)","","2004-11-04","2011-06-04","1-(3-tert-butyl-1H-pyrazol-5-yl)-3-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea",""],["A1BQZ","6-propanoyl-2H-1,4-benzoxazin-3(4H)-one","C11 H11 N O3","CCC(=O)c1ccc2OCC(=O)Nc2c1;CCC(=O)c1ccc2OCC(=O)Nc2c1;CCC(=O)c1ccc2c(c1)NC(=O)CO2","InChI=1S/C11H11NO3/c1-2-9(13)7-3-4-10-8(5-7)12-11(14)6-15-10/h3-5H,2,6H2,1H3,(H,12,14)","","2025-01-14","2025-02-07","6-propanoyl-2H-1,4-benzoxazin-3(4H)-one","2025-02-12"],["XYY","(3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid","C19 H21 Cl N4 O4 S","CN(Cc1cc(ccc1Cl)[CH](CC(O)=O)c2ccc3n(C)nnc3c2)[S](C)(=O)=O;Cn1c2ccc(cc2nn1)C(CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl","InChI=1S/C19H21ClN4O4S/c1-23(29(3,27)28)11-14-8-12(4-6-16(14)20)15(10-19(25)26)13-5-7-18-17(9-13)21-22-24(18)2/h4-9,15H,10-11H2,1-3H3,(H,25,26)/t15-/m0/s1","","2015-11-17","2016-04-08","(3S)-3-[4-chloranyl-3-[[methyl(methylsulfonyl)amino]methyl]phenyl]-3-(1-methylbenzotriazol-5-yl)propanoic acid","2016-04-13"],["A1BRA","5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide","C19 H17 Cl N4 O4 S","Clc1cccc(c1)S(=O)(=O)COc1ncc(nc1C)C(=O)NCc1cccnc1;Cc1nc(cnc1OC[S](=O)(=O)c2cccc(Cl)c2)C(=O)NCc3cccnc3;Cc1c(ncc(n1)C(=O)NCc2cccnc2)OCS(=O)(=O)c3cccc(c3)Cl","InChI=1S/C19H17ClN4O4S/c1-13-19(28-12-29(26,27)16-6-2-5-15(20)8-16)23-11-17(24-13)18(25)22-10-14-4-3-7-21-9-14/h2-9,11H,10,12H2,1H3,(H,22,25)","","2025-01-14","2025-02-28","5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide","2025-03-05"],["L0A","Digitonin","C56 H92 O29","CC%11CCC1(C(C2C(O1)C(C3C4C(CCC23C)C5(C(CC4)CC(C(C5)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC%10C(C(C(C(O%10)CO)O)O)O)O)O)O)C)O)C)OC%11;C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O[CH]9OC[CH](O)[CH](O)[CH]9O)[CH]8O[CH]%10O[CH](CO)[CH](O)[CH](O[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)[CH]%10O)[CH](O)[CH]7O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1","InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20-,21-,22+,23+,24+,25-,26+,27-,28+,29+,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41+,42-,43+,44+,45+,46-,47+,48-,49+,50-,51+,52-,53-,54+,55+,56+/m1/s1","(2S,3S,4aR,5'R,6aR,8S,8aS,10S,11S,11aS,12R,14aS,14bS)-2,8-dihydroxy-5',11,12,14b-tetramethyloctadecahydrospiro[naphtho[1',2':6,7]cyclonona[1,2-b]furan-10,2'-oxan]-3-yl beta-D-idopyranosyl-(1->3)-beta-L-glucopyranosyl-(1->2)-[alpha-D-lyxopyranosyl-(1->3)]-alpha-L-gulopyranosyl-(1->4)-beta-D-glucopyranoside","2019-01-29","2021-09-23","(2alpha,3beta,5alpha,8alpha,10alpha,13alpha,15beta,16beta,20R,22S,25R)-2,15-dihydroxyspirostan-3-yl beta-D-idopyranosyl-(1->3)-beta-L-glucopyranosyl-(1->2)-[beta-D-ribopyranosyl-(1->3)]-beta-L-idopyranosyl-(1->4)-beta-D-galactopyranoside","2019-02-20"],["XYZ","beta-D-xylofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m1/s1","beta-D-xylose; D-xylose; xylose","2004-06-10","2020-07-17","beta-D-xylofuranose",""],["L0B","Alpha-Lobeline","C22 H27 N O2","O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3;CN1[CH](CCC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3;CN1C(CCCC1CC(=O)c2ccccc2)CC(c3ccccc3)O","InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1","","2012-01-19","2014-04-28","2-{(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone",""],["XZ0","(2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine","C22 H27 Cl2 N3 O","C[CH]1CN(C2CCN(CC2)c3cc(Cl)ccn3)[CH](CO1)Cc4ccc(Cl)cc4;CC1CN(C(CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4cc(ccn4)Cl","InChI=1S/C22H27Cl2N3O/c1-16-14-27(21(15-28-16)12-17-2-4-18(23)5-3-17)20-7-10-26(11-8-20)22-13-19(24)6-9-25-22/h2-6,9,13,16,20-21H,7-8,10-12,14-15H2,1H3/t16-,21-/m0/s1","","2023-11-14","2024-03-08","(2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine","2024-03-13"],["A1BRB","5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide","C20 H16 Cl F2 N5 O2","Clc1cccc(c1)C(F)(F)COc1cnc(cn1)C(=O)NC1(CC1)c1cnccn1;FC(F)(COc1cnc(cn1)C(=O)NC2(CC2)c3cnccn3)c4cccc(Cl)c4;c1cc(cc(c1)Cl)C(COc2cnc(cn2)C(=O)NC3(CC3)c4cnccn4)(F)F","InChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29)","","2025-01-14","2025-02-28","5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide","2025-03-05"],["XZ1","4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol","C15 H11 Cl F N3 O2","COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O;COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F","InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)","","2019-08-15","2019-10-04","4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol","2019-10-09"],["L0C","4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM","C22 H22 F N6 O2","Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3;c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F","InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)/p+1","","2008-10-17","2011-06-04","4-fluoro-N-[3-[6-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide",""],["A1BRE","(3S)-N~1~-(3-methylphenyl)piperidine-1,3-dicarboxamide","C14 H19 N3 O2","O=C(Nc1cc(C)ccc1)N1CCCC(C1)C(N)=O;Cc1cccc(NC(=O)N2CCC[CH](C2)C(N)=O)c1;Cc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H19N3O2/c1-10-4-2-6-12(8-10)16-14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,15,18)(H,16,19)/t11-/m0/s1","","2025-01-14","2025-02-21","(3S)-N~1~-(3-methylphenyl)piperidine-1,3-dicarboxamide","2025-02-26"],["A1BRF","(3S)-1-{[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]methyl}-6-oxopiperidine-3-carboxamide","C16 H20 N2 O3","NC(=O)C1CCC(=O)N(C1)CC1CCOc2ccccc21;NC(=O)[CH]1CCC(=O)N(C1)C[CH]2CCOc3ccccc23;c1ccc2c(c1)C(CCO2)CN3CC(CCC3=O)C(=O)N","InChI=1S/C16H20N2O3/c17-16(20)12-5-6-15(19)18(10-12)9-11-7-8-21-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,17,20)/t11-,12+/m1/s1","","2025-01-14","2025-02-21","(3S)-1-{[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]methyl}-6-oxopiperidine-3-carboxamide","2025-02-26"],["L0D","2-(1H-pyrazol-3-yl)-1H-benzimidazole","C10 H8 N4","n2c1c(cccc1)nc2c3nncc3;[nH]1ccc(n1)c2[nH]c3ccccc3n2;c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3","InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)","","2008-10-17","2011-06-04","2-(1H-pyrazol-3-yl)-1H-benzimidazole",""],["XZ2","2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide","C17 H16 Cl F N2 O5 S","O=S(=O)(c2cc(O)c(O)c1C(=O)N(Cc12)Cc3ccc(F)c(Cl)c3)N(C)C;CN(C)[S](=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12;CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O","InChI=1S/C17H16ClFN2O5S/c1-20(2)27(25,26)14-6-13(22)16(23)15-10(14)8-21(17(15)24)7-9-3-4-12(19)11(18)5-9/h3-6,22-23H,7-8H2,1-2H3","","2012-10-08","2012-10-26","2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide","2012-10-26"],["XZ3","(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone","C52 H83 N O13","OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(OC)C1)CCC2C;CO[CH]1C[CH](CC[CH]1O)C[CH](C)[CH]2C[CH](OC)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC;CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)OC)C)C)O)OC)C)C)C)OC","InChI=1S/C52H83NO13/c1-31-17-13-12-14-18-32(2)42(61-8)29-39-22-20-37(7)52(60,66-39)49(57)50(58)53-24-16-15-19-40(53)51(59)65-44(34(4)27-38-21-23-41(54)45(28-38)63-10)30-43(62-9)33(3)26-36(6)47(56)48(64-11)46(55)35(5)25-31/h12-14,17-18,26,31,33-35,37-45,47-48,54,56,60H,15-16,19-25,27-30H2,1-11H3/b14-12+,17-13+,32-18+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,42+,43-,44+,45-,47-,48+,52-/m1/s1","","2022-12-14","2022-12-23","(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone","2022-12-28"],["A1BRQ","tert-butyl [(1R)-2-[(3S)-3-carbamoylpiperidin-1-yl]-1-(2-methoxyphenyl)-2-oxoethyl]carbamate","C20 H29 N3 O5","O=C(C(NC(=O)OC(C)(C)C)c1ccccc1OC)N1CCCC(C1)C(N)=O;COc1ccccc1[CH](NC(=O)OC(C)(C)C)C(=O)N2CCC[CH](C2)C(N)=O;CC(C)(C)OC(=O)NC(c1ccccc1OC)C(=O)N2CCCC(C2)C(=O)N","InChI=1S/C20H29N3O5/c1-20(2,3)28-19(26)22-16(14-9-5-6-10-15(14)27-4)18(25)23-11-7-8-13(12-23)17(21)24/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H2,21,24)(H,22,26)/t13-,16?/m0/s1","","2025-01-14","2025-02-21","tert-butyl [(1R)-2-[(3S)-3-carbamoylpiperidin-1-yl]-1-(2-methoxyphenyl)-2-oxoethyl]carbamate","2025-02-26"],["L0E","4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM","C22 H24 N7 O2","O=C(Nc1ccccc1)Nc2c[nH]nc2c3[nH]c4ccc(C[NH]5CCOCC5)cc4n3;c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5","InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)/p+1","","2008-10-17","2011-06-04","3-[3-[5-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenyl-urea",""],["A1BRR","(3S)-1-{[2-(methoxymethyl)phenyl]acetyl}piperidine-3-carboxamide","C16 H22 N2 O3","O=C(Cc1ccccc1COC)N1CCCC(C1)C(N)=O;COCc1ccccc1CC(=O)N2CCC[CH](C2)C(N)=O;COCc1ccccc1CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C16H22N2O3/c1-21-11-14-6-3-2-5-12(14)9-15(19)18-8-4-7-13(10-18)16(17)20/h2-3,5-6,13H,4,7-11H2,1H3,(H2,17,20)/t13-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-{[2-(methoxymethyl)phenyl]acetyl}piperidine-3-carboxamide","2025-02-26"],["L0F","N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE","C17 H13 N5 O","O=C(Nc1c(nnc1)c2nc3ccccc3n2)c4ccccc4;O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4;c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3","InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)","","2008-10-17","2011-06-04","N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide",""],["XZ4","methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate","C20 H18 F2 N4 O6","COC(=O)CNC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3nc(OC)ccc13;COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O","InChI=1S/C20H18F2N4O6/c1-31-14-6-5-12-17(23-9-15(27)32-2)16(20(29)26(30)18(12)25-14)19(28)24-8-10-3-4-11(21)7-13(10)22/h3-7,23,30H,8-9H2,1-2H3,(H,24,28)","","2017-04-11","2017-07-28","methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate","2017-08-02"],["L0G","2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM","C19 H25 N7 O2","O=C(NC1CC1)Nc2cnnc2c4[nH+]c3ccc(cc3n4)C[NH+]5CCOCC5;O=C(NC1CC1)Nc2c[nH]nc2c3[nH]c4cc(C[NH+]5CCOCC5)ccc4[nH+]3;c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5","InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)/p+2","","2008-10-17","2011-06-04","2-{4-[(cyclopropylcarbamoyl)amino]-1H-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1H-3,1-benzimidazol-3-ium",""],["A1BRU","1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-indazole-3-carboxamide","C14 H14 N4 O S","Cn1nc(C(=O)NCCc2cscn2)c2ccccc21;Cn1nc(C(=O)NCCc2cscn2)c3ccccc13;Cn1c2ccccc2c(n1)C(=O)NCCc3cscn3","InChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19)","","2025-01-14","2025-02-21","1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-indazole-3-carboxamide","2025-02-26"],["XZ5","(methanesulfonyl)methane","C2 H6 O2 S","CS(C)(=O)=O;C[S](C)(=O)=O;CS(=O)(=O)C","InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3","","2023-06-09","2024-11-22","(methanesulfonyl)methane","2024-11-27"],["L0H","N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE","C17 H13 N5 O","O=C(c1ccccc1)Nc4cnnc4c2nc3c(n2)cccc3;O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4;c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3","InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)","","2008-10-17","2012-05-09","N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide",""],["XZ6","7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one","C8 H9 N2 O2 S","Cc1csc2N=C(CO)CC(=O)[n]12;CC1=CSC2=[N]1C(=O)CC(=N2)CO","InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3","","2023-11-14","2024-09-27","7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one","2024-02-14"],["A1BRY","(3S)-1-[(5-fluoro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide","C15 H19 F N2 O3","O=C(Cc1cc(F)ccc1OC)N1CCCC(C1)C(N)=O;COc1ccc(F)cc1CC(=O)N2CCC[CH](C2)C(N)=O;COc1ccc(cc1CC(=O)N2CCCC(C2)C(=O)N)F","InChI=1S/C15H19FN2O3/c1-21-13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-[(5-fluoro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide","2025-02-26"],["L0I","4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM","C19 H24 N7 O2","O=C(NC1CC1)Nc2cnnc2c4nc3ccc(cc3n4)C[NH+]5CCOCC5;O=C(NC1CC1)Nc2c[nH]nc2c3[nH]c4cc(C[NH+]5CCOCC5)ccc4n3;c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5","InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)/p+1","","2008-10-17","2011-06-04","4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1H-pyrazol-3-yl}-1H-benzimidazol-6-yl)methyl]morpholin-4-ium",""],["XZ7","Runcaciguat","C23 H22 Cl2 F3 N O3","c2(c(Cl)ccc(C(CC(=O)O)C1CC1)c2)NC(C(c3ccc(Cl)cc3)C(C(F)(F)F)C)=O;C[CH]([CH](C(=O)Nc1cc(ccc1Cl)[CH](CC(O)=O)C2CC2)c3ccc(Cl)cc3)C(F)(F)F;CC(C(c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)C(CC(=O)O)C3CC3)C(F)(F)F","InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1","(3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclopropylpropanoic acid","2021-01-21","2021-04-30","(3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclopropylpropanoic acid","2021-05-05"],["L0J","N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide","C14 H22 N4 O4 S","C1CN(CCC1NC(=O)c3cc(C2CC2)on3)S(CCN)(=O)=O;NCC[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3;c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3","InChI=1S/C14H22N4O4S/c15-5-8-23(20,21)18-6-3-11(4-7-18)16-14(19)12-9-13(22-17-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,19)","","2019-01-30","2020-01-10","N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide","2020-01-15"],["A1BRZ","(3S)-1-[(2-methylpyridin-3-yl)acetyl]piperidine-3-carboxamide","C14 H19 N3 O2","O=C(Cc1cccnc1C)N1CCCC(C1)C(N)=O;Cc1ncccc1CC(=O)N2CCC[CH](C2)C(N)=O;Cc1c(cccn1)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H19N3O2/c1-10-11(4-2-6-16-10)8-13(18)17-7-3-5-12(9-17)14(15)19/h2,4,6,12H,3,5,7-9H2,1H3,(H2,15,19)/t12-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-[(2-methylpyridin-3-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XZ8","4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","C14 H13 N3 O2","O=C(n2cc(C=1C(=O)NNC=1C)c3ccccc23)C;CC(=O)n1cc(c2ccccc12)C3=C(C)NNC3=O;CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C","InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)","","2014-06-19","2015-06-26","4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","2015-07-01"],["XZ9","1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one","C25 H24 N8 O3","OCCC(=O)N1Cc2ccc(cc2CC1)Cn1nc(c2cc3nc(N)oc3cc2)c2c(N)ncnc21;Nc1oc2ccc(cc2n1)c3nn(Cc4ccc5CN(CCc5c4)C(=O)CCO)c6ncnc(N)c36;c1cc2c(cc1Cn3c4c(c(n3)c5ccc6c(c5)nc(o6)N)c(ncn4)N)CCN(C2)C(=O)CCO","InChI=1S/C25H24N8O3/c26-23-21-22(16-3-4-19-18(10-16)30-25(27)36-19)31-33(24(21)29-13-28-23)11-14-1-2-17-12-32(20(35)6-8-34)7-5-15(17)9-14/h1-4,9-10,13,34H,5-8,11-12H2,(H2,27,30)(H2,26,28,29)","","2022-12-14","2022-12-23","1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one","2022-12-28"],["A1BSA","(3S)-1-[(2-bromo-3-fluorophenyl)di(fluoro)acetyl]piperidine-3-carboxamide","C14 H14 Br F3 N2 O2","O=C(N1CCCC(C1)C(N)=O)C(F)(F)c1cccc(F)c1Br;NC(=O)[CH]1CCCN(C1)C(=O)C(F)(F)c2cccc(F)c2Br;c1cc(c(c(c1)F)Br)C(C(=O)N2CCCC(C2)C(=O)N)(F)F","InChI=1S/C14H14BrF3N2O2/c15-11-9(4-1-5-10(11)16)14(17,18)13(22)20-6-2-3-8(7-20)12(19)21/h1,4-5,8H,2-3,6-7H2,(H2,19,21)/t8-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-[(2-bromo-3-fluorophenyl)di(fluoro)acetyl]piperidine-3-carboxamide","2025-02-26"],["L0K","~{N}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","C27 H26 N4 O5 S","COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)N4CCc5ccccc5CC4;COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4","InChI=1S/C27H26N4O5S/c1-36-25-11-10-20(37(34,35)31-14-12-18-6-2-3-7-19(18)13-15-31)16-24(25)28-26(32)17-23-21-8-4-5-9-22(21)27(33)30-29-23/h2-11,16H,12-15,17H2,1H3,(H,28,32)(H,30,33)","","2019-07-09","2019-09-20","~{N}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","2019-09-25"],["L0M","N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide","C27 H21 N5 O2","Cc1nccn2c1nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc6;Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(nc12)c6ccccc6;Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6","InChI=1S/C27H21N5O2/c1-18-26-30-25(19-9-3-2-4-10-19)27(31(26)16-15-28-18)29-24(33)17-32-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)32/h2-16H,17H2,1H3,(H,29,33)","","2019-01-30","2019-05-17","N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide","2019-05-22"],["XZA","diazanecarboxylic acid","C H4 N2 O2","NNC(O)=O;C(=O)(NN)O","InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)","","2016-06-03","2024-09-27","diazanecarboxylic acid","2017-06-28"],["A1BSB","(2S)-4-[(2-methoxyphenyl)acetyl]morpholine-2-carboxamide","C14 H18 N2 O4","O=C(Cc1ccccc1OC)N1CC(OCC1)C(N)=O;COc1ccccc1CC(=O)N2CCO[CH](C2)C(N)=O;COc1ccccc1CC(=O)N2CCOC(C2)C(=O)N","InChI=1S/C14H18N2O4/c1-19-11-5-3-2-4-10(11)8-13(17)16-6-7-20-12(9-16)14(15)18/h2-5,12H,6-9H2,1H3,(H2,15,18)/t12-/m0/s1","","2025-01-14","2025-02-21","(2S)-4-[(2-methoxyphenyl)acetyl]morpholine-2-carboxamide","2025-02-26"],["L0N","~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","C30 H36 N6 O2","CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OCC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5;CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C","InChI=1S/C30H36N6O2/c1-5-25(37)33-23-8-6-7-22(17-23)26-27-29(31-19-32-30(27)38-18-20(2)3)34-28(26)21-9-11-24(12-10-21)36-15-13-35(4)14-16-36/h6-12,17,19-20H,5,13-16,18H2,1-4H3,(H,33,37)(H,31,32,34)","","2019-07-09","2019-10-11","~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","2019-10-16"],["XZB","N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide","C21 H20 F3 N3 O3 S2","CN1C=C(c2cccc(c2)C(F)(F)F)c3sc(cc3C1=O)C(N)=NC4CC[S](=O)(=O)CC4;CN1C=C(c2c(cc(s2)C(=NC3CCS(=O)(=O)CC3)N)C1=O)c4cccc(c4)C(F)(F)F","InChI=1S/C21H20F3N3O3S2/c1-27-11-16(12-3-2-4-13(9-12)21(22,23)24)18-15(20(27)28)10-17(31-18)19(25)26-14-5-7-32(29,30)8-6-14/h2-4,9-11,14H,5-8H2,1H3,(H2,25,26)","","2015-04-03","2015-04-17","N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide","2015-04-22"],["A1BSE","(3S)-1-[(2H-1,3-benzodioxol-4-yl)acetyl]piperidine-3-carboxamide","C15 H18 N2 O4","NC(=O)C1CCCN(C1)C(=O)Cc1cccc2OCOc12;NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3OCOc23;c1cc(c2c(c1)OCO2)CC(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H18N2O4/c16-15(19)11-4-2-6-17(8-11)13(18)7-10-3-1-5-12-14(10)21-9-20-12/h1,3,5,11H,2,4,6-9H2,(H2,16,19)/t11-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-[(2H-1,3-benzodioxol-4-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["L0O","20-dihydrorosamicin","C31 H53 N O9","CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](CCO)C[CH](C)C(=O)C=C[C]3(C)O[CH]3[CH]1C;CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CCO)C)C)C","InChI=1S/C31H53NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12,17-22,24-25,27-30,33,35,37H,9,11,13-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1","(1~{S},2~{R},3~{R},7~{R},8~{S},9~{S},10~{R},12~{R},14~{E},16~{S})-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-10-(2-hydroxyethyl)-2,8,12,16-tetramethyl-7-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione","2022-06-09","2026-04-17","(1~{S},2~{R},3~{R},7~{R},8~{S},9~{S},10~{R},12~{R},14~{E},16~{S})-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-10-(2-hydroxyethyl)-2,8,12,16-tetramethyl-7-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione","2026-04-22"],["XZC","3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide","C23 H23 B N O5","COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2;[B-]1(c2c(cccc2CCC(=O)Nc3cccc(c3)c4cccc(c4)OC)CO1)(O)O","InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1","","2023-06-09","2023-11-03","3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide","2023-11-08"],["A1BSF","(3S)-1-[(2-ethylphenyl)acetyl]piperidine-3-carboxamide","C16 H22 N2 O2","O=C(Cc1ccccc1CC)N1CCCC(C1)C(N)=O;CCc1ccccc1CC(=O)N2CCC[CH](C2)C(N)=O;CCc1ccccc1CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C16H22N2O2/c1-2-12-6-3-4-7-13(12)10-15(19)18-9-5-8-14(11-18)16(17)20/h3-4,6-7,14H,2,5,8-11H2,1H3,(H2,17,20)/t14-/m0/s1","","2025-01-14","2025-02-21","(3S)-1-[(2-ethylphenyl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XZD","Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester","C46 H53 Cl N7 O11 P S","Clc1ccc(cc1)C=1CC(C)(C)CCC=1CN1CCN(CC1)c1ccc(c(OC=2C=C3C=CN=C3N(COP(=O)(O)O)C=2)c1)C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)[N+]([O-])=O;CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)N[S](=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+]([O-])=O)c(Oc7cn(CO[P](O)(O)=O)c8nccc8c7)c4;CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C","InChI=1S/C46H53ClN7O11PS/c1-46(2)15-11-34(40(26-46)32-3-5-35(47)6-4-32)28-51-17-19-52(20-18-51)36-7-9-39(43(24-36)65-37-23-33-12-16-48-44(33)53(29-37)30-64-66(58,59)60)45(55)50-67(61,62)38-8-10-41(42(25-38)54(56)57)49-27-31-13-21-63-22-14-31/h3-10,12,16,23-25,29,31,49H,11,13-15,17-22,26-28,30H2,1-2H3,(H,50,55)(H2,58,59,60)","","2021-01-22","2022-04-05","[(3aP)-5-(5-{4-[(4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-2-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)carbamoyl]phenoxy)-7H-pyrrolo[2,3-b]pyridin-7-yl]methyl dihydrogen phosphate","2021-04-14"],["L0P","N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide","C24 H20 N4 O2 S","Cc1cccn2c1nc(c2NC(=O)CN4C(CSc3c4cccc3)=O)c5ccccc5;Cc1cccn2c(NC(=O)CN3C(=O)CSc4ccccc34)c(nc12)c5ccccc5;Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5","InChI=1S/C24H20N4O2S/c1-16-8-7-13-27-23(16)26-22(17-9-3-2-4-10-17)24(27)25-20(29)14-28-18-11-5-6-12-19(18)31-15-21(28)30/h2-13H,14-15H2,1H3,(H,25,29)","","2019-01-30","2019-05-17","N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide","2019-05-22"],["A1BSQ","1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide","C13 H15 N3 O2","O=C(NC1CCOC1)c1nn(C)c2ccccc12;Cn1nc(C(=O)N[CH]2CCOC2)c3ccccc13;Cn1c2ccccc2c(n1)C(=O)NC3CCOC3","InChI=1S/C13H15N3O2/c1-16-11-5-3-2-4-10(11)12(15-16)13(17)14-9-6-7-18-8-9/h2-5,9H,6-8H2,1H3,(H,14,17)/t9-/m1/s1","","2025-01-15","2025-02-21","1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide","2025-02-26"],["XZE","(pyridin-2-yl)(quinolin-2-yl)methanone","C15 H10 N2 O","O=C(c1ccc2ccccc2n1)c1ccccn1;O=C(c1ccccn1)c2ccc3ccccc3n2;c1ccc2c(c1)ccc(n2)C(=O)c3ccccn3","InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H","","2023-11-14","2024-02-09","(pyridin-2-yl)(quinolin-2-yl)methanone","2024-02-14"],["A1BSR","N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-1-methyl-1H-indazole-3-carboxamide","C13 H15 N3 O2","OCC1CC1NC(=O)c1nn(C)c2ccccc21;Cn1nc(C(=O)N[CH]2C[CH]2CO)c3ccccc13;Cn1c2ccccc2c(n1)C(=O)NC3CC3CO","InChI=1S/C13H15N3O2/c1-16-11-5-3-2-4-9(11)12(15-16)13(18)14-10-6-8(10)7-17/h2-5,8,10,17H,6-7H2,1H3,(H,14,18)/t8-,10-/m1/s1","","2025-01-15","2025-02-21","N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-1-methyl-1H-indazole-3-carboxamide","2025-02-26"],["L0Q","~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","C29 H34 N6 O2","CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5;CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C","InChI=1S/C29H34N6O2/c1-5-24(36)32-22-8-6-7-21(17-22)25-26-28(30-18-31-29(26)37-19(2)3)33-27(25)20-9-11-23(12-10-20)35-15-13-34(4)14-16-35/h6-12,17-19H,5,13-16H2,1-4H3,(H,32,36)(H,30,31,33)","","2019-07-09","2019-10-11","~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","2019-10-16"],["A1BST","(3S)-1-[(2-aminopyridin-4-yl)acetyl]piperidine-3-carboxamide","C13 H18 N4 O2","O=C(Cc1ccnc(N)c1)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccnc(N)c2;c1cnc(cc1CC(=O)N2CCCC(C2)C(=O)N)N","InChI=1S/C13H18N4O2/c14-11-6-9(3-4-16-11)7-12(18)17-5-1-2-10(8-17)13(15)19/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)(H2,15,19)/t10-/m0/s1","","2025-01-15","2025-02-21","(3S)-1-[(2-aminopyridin-4-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["XZF","Polythiazide","C11 H13 Cl F3 N3 O4 S3","NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl;CN1[CH](CSCC(F)(F)F)Nc2cc(Cl)c(cc2[S]1(=O)=O)[S](N)(=O)=O;CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F","InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1","(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide","2022-12-15","2023-02-10","(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide","2023-02-15"],["L0R","1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone","C23 H26 N2 O3","O=C(N3C(C(=O)N2Cc1ccccc1CC2)CCCC3)COc4ccccc4;O=C(COc1ccccc1)N2CCCC[CH]2C(=O)N3CCc4ccccc4C3;c1ccc(cc1)OCC(=O)N2CCCCC2C(=O)N3CCc4ccccc4C3","InChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1","","2012-05-21","2013-04-19","1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone","2013-04-24"],["A1BSU","(3S)-N~1~-[2-methoxy-6-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide","C15 H21 N3 O3 S","O=C(Nc1c(OC)cccc1SC)N1CCCC(C1)C(N)=O;COc1cccc(SC)c1NC(=O)N2CCC[CH](C2)C(N)=O;COc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)SC","InChI=1S/C15H21N3O3S/c1-21-11-6-3-7-12(22-2)13(11)17-15(20)18-8-4-5-10(9-18)14(16)19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H2,16,19)(H,17,20)/t10-/m0/s1","","2025-01-15","2025-02-21","(3S)-N~1~-[2-methoxy-6-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide","2025-02-26"],["L0S","methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate","C8 H19 N2 O2 P","COP(/N=C(/N(CC)CC)C)(=O)C;CCN(CC)C(C)=N[P](C)(=O)OC;CCN(CC)C(=NP(=O)(C)OC)C","InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1","A-232","2019-01-30","2024-09-27","methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate","2020-07-01"],["XZG","(5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione","C31 H34 N6 O5","C1CN(CCC1CN5CC4=C(C(c2ccc(cc2)C)C3=C(N(CC)C(NC3=O)=O)N4)C5=O)Cc6ccc([N+](=O)[O-])cc6;CCN1C(=O)NC(=O)C2=C1NC3=C([CH]2c4ccc(C)cc4)C(=O)N(CC5CCN(CC5)Cc6ccc(cc6)[N+]([O-])=O)C3;CCN1C2=C(C(C3=C(N2)CN(C3=O)CC4CCN(CC4)Cc5ccc(cc5)[N+](=O)[O-])c6ccc(cc6)C)C(=O)NC1=O","InChI=1S/C31H34N6O5/c1-3-36-28-27(29(38)33-31(36)40)25(22-8-4-19(2)5-9-22)26-24(32-28)18-35(30(26)39)17-21-12-14-34(15-13-21)16-20-6-10-23(11-7-20)37(41)42/h4-11,21,25,32H,3,12-18H2,1-2H3,(H,33,38,40)/t25-/m1/s1","","2021-01-22","2022-07-01","(5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione","2022-07-06"],["XZH","7-[(1~{S})-1-[4-[(2-azanylethylsulfonylamino)methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C24 H27 F N6 O6 S2","C[CH](n1cc(CN[S](=O)(=O)CCN)nn1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)n4cc(nn4)CNS(=O)(=O)CCN","InChI=1S/C24H27FN6O6S2/c1-14(31-12-17(29-30-31)11-27-39(36,37)9-8-26)18-4-3-5-19-21(23(24(32)33)28-22(18)19)15-6-7-16(20(25)10-15)13-38(2,34)35/h3-7,10,12,14,27-28H,8-9,11,13,26H2,1-2H3,(H,32,33)/t14-/m0/s1","","2023-06-09","2024-06-21","7-[(1~{S})-1-[4-[(2-azanylethylsulfonylamino)methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["A1BSY","(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide","C15 H18 N4 O3","O=C(Nc1cc(C#N)ccc1OC)N1CCCC(C1)C(N)=O;COc1ccc(cc1NC(=O)N2CCC[CH](C2)C(N)=O)C#N;COc1ccc(cc1NC(=O)N2CCCC(C2)C(=O)N)C#N","InChI=1S/C15H18N4O3/c1-22-13-5-4-10(8-16)7-12(13)18-15(21)19-6-2-3-11(9-19)14(17)20/h4-5,7,11H,2-3,6,9H2,1H3,(H2,17,20)(H,18,21)/t11-/m0/s1","","2025-01-15","2025-02-21","(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide","2025-02-26"],["L0T","8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate","C82 H44 N16 O34 S8","CC(=O)Nc1cccc2c(cc(nc12)C(=O)Nc3cccc4c(cc(nc34)C(=O)Nc5cccc6c(cc(nc56)C(=O)Nc7cccc8c(cc(nc78)C(=O)Nc9cccc%10c(cc(nc9%10)C(=O)Nc%11cccc%12c(cc(nc%11%12)C(=O)Nc%13cccc%14c(cc(nc%13%14)C(=O)Nc%15cccc%16c(cc(nc%15%16)C(O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O;CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O","InChI=1S/C82H52N16O34S8/c1-34(99)83-43-18-2-10-35-59(133(109,110)111)26-51(84-67(35)43)75(100)92-44-19-3-11-36-60(134(112,113)114)27-52(85-68(36)44)76(101)93-45-20-4-12-37-61(135(115,116)117)28-53(86-69(37)45)77(102)94-46-21-5-13-38-62(136(118,119)120)29-54(87-70(38)46)78(103)95-47-22-6-14-39-63(137(121,122)123)30-55(88-71(39)47)79(104)96-48-23-7-15-40-64(138(124,125)126)31-56(89-72(40)48)80(105)97-49-24-8-16-41-65(139(127,128)129)32-57(90-73(41)49)81(106)98-50-25-9-17-42-66(140(130,131)132)33-58(82(107)108)91-74(42)50/h2-33H,1H3,(H,83,99)(H,92,100)(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)/p-8","","2019-07-11","2019-09-20","8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate","2019-09-25"],["L0W","lipopolysaccharide fragment","C95 H182 N2 O25 P2","CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH](CO)O[CH](O[P](O)(O)=O)[CH](COC(=O)C[CH](O)CCCCCCCCCCC)NC(=O)C[CH](O)CCCCCCCCCCC)O[CH](COC)[CH]1O[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC)OCC(CO)OC(C(COC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC","InChI=1S/C95H182N2O25P2/c1-8-14-20-26-32-38-39-45-51-57-63-69-88(104)117-81(67-61-55-49-43-36-30-24-18-12-5)73-90(106)120-93-91(97-86(102)72-80(66-60-54-48-42-35-29-23-17-11-4)116-87(103)68-62-56-50-44-37-31-25-19-13-6)95(119-84(77-113-7)92(93)121-123(107,108)109)115-75-82(74-98)118-94(122-124(110,111)112)83(96-85(101)70-78(99)64-58-52-46-40-33-27-21-15-9-2)76-114-89(105)71-79(100)65-59-53-47-41-34-28-22-16-10-3/h78-84,91-95,98-100H,8-77H2,1-7H3,(H,96,101)(H,97,102)(H2,107,108,109)(H2,110,111,112)/t78-,79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-/m1/s1","","2019-07-11","2019-09-20","[(2~{R},3~{R})-3-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(methoxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxy-3-oxidanyl-propan-2-yl]oxy-2-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-propyl] (3~{R})-3-oxidanyltetradecanoate","2019-09-25"],["XZI","N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide","C14 H15 N O2","CN(C)C(=O)COc1ccc2ccccc2c1;CN(C)C(=O)COc1ccc2ccccc2c1;CN(C)C(=O)COc1ccc2ccccc2c1","InChI=1S/C14H15NO2/c1-15(2)14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3","","2023-11-14","2024-02-09","N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide","2024-02-14"],["A1BSZ","(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide","C14 H18 Br N3 O3","O=C(Cc1cc(Br)cnc1OC)N1CCCC(C1)C(N)=O;COc1ncc(Br)cc1CC(=O)N2CCC[CH](C2)C(N)=O;COc1c(cc(cn1)Br)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C14H18BrN3O3/c1-21-14-10(5-11(15)7-17-14)6-12(19)18-4-2-3-9(8-18)13(16)20/h5,7,9H,2-4,6,8H2,1H3,(H2,16,20)/t9-/m0/s1","","2025-01-15","2025-02-21","(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide","2025-02-26"],["A1BT2","N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}furan-2-carboximidamide","C27 H28 N4 O","NCc1cc(ccc1CCNCc1cc(ccc1)NC(=N)c1ccco1)c1ccccc1;NCc1cc(ccc1CCNCc2cccc(NC(=N)c3occc3)c2)c4ccccc4;c1ccc(cc1)c2ccc(c(c2)CN)CCNCc3cccc(c3)NC(=N)c4ccco4","InChI=1S/C27H28N4O/c28-18-24-17-23(21-7-2-1-3-8-21)12-11-22(24)13-14-30-19-20-6-4-9-25(16-20)31-27(29)26-10-5-15-32-26/h1-12,15-17,30H,13-14,18-19,28H2,(H2,29,31)","","2025-01-21","2025-11-21","N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}furan-2-carboximidamide","2025-11-26"],["L0X","N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide","C22 H37 N5 O","CCC(=O)N(CCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1;CCC(=O)N(CCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2;CCC(=O)N(CCCCCNC(=N)N)C1CCN(CC1)CCc2ccccc2","InChI=1S/C22H37N5O/c1-2-21(28)27(15-8-4-7-14-25-22(23)24)20-12-17-26(18-13-20)16-11-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H4,23,24,25)","","2022-02-25","2022-04-29","N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide","2022-05-04"],["XZJ","{(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate","C22 H38 O5","CC(C)CC(CC(C)C)C[C@H]=C1C(=O)OC(C1)(CO)COC(C(C)(C)C)=O;CC(C)CC(CC=C1C[C](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C;CC(C)CC(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C","InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+/t22-/m1/s1","AJH-836","2021-01-22","2022-04-29","{(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate","2022-05-04"],["L0Y","6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C26 H32 N2 O5","O=C(NCC1CCCCC1)c2ccccc2CN(C)Cc4ccc3OCCOc3c4C(=O)O;CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCCOc4c3C(O)=O;CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4","InChI=1S/C26H32N2O5/c1-28(17-20-11-12-22-24(23(20)26(30)31)33-14-13-32-22)16-19-9-5-6-10-21(19)25(29)27-15-1-7-3-2-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,27,29)(H,30,31)","","2013-12-23","2014-04-28","6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2014-01-08"],["XZK","N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide","C14 H10 Cl N3 O4","O=C(Nc1ccc(cc1)C(N)=O)c1cc(ccc1Cl)[N+]([O-])=O;NC(=O)c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1;c1cc(ccc1C(=O)N)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]","InChI=1S/C14H10ClN3O4/c15-12-6-5-10(18(21)22)7-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20)","","2022-12-15","2024-09-27","N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide","2024-03-20"],["A1BTC","(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide","C14 H19 N3 O3","O=C(Cc1ccccc1OC)N1CC(NCC1)C(N)=O;COc1ccccc1CC(=O)N2CCN[CH](C2)C(N)=O;COc1ccccc1CC(=O)N2CCNC(C2)C(=O)N","InChI=1S/C14H19N3O3/c1-20-12-5-3-2-4-10(12)8-13(18)17-7-6-16-11(9-17)14(15)19/h2-5,11,16H,6-9H2,1H3,(H2,15,19)/t11-/m0/s1","","2025-01-15","2025-02-21","(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide","2025-02-26"],["L0Z","4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide","C36 H38 N6 O2","CN1CCN(CC1)C(=O)c2ccc(cc2)c3[nH]c4ncnc(c5cccc(NC(=O)c6ccc(cc6)C(C)(C)C)c5C)c4c3;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C","InChI=1S/C36H38N6O2/c1-23-28(7-6-8-30(23)40-34(43)25-13-15-27(16-14-25)36(2,3)4)32-29-21-31(39-33(29)38-22-37-32)24-9-11-26(12-10-24)35(44)42-19-17-41(5)18-20-42/h6-16,21-22H,17-20H2,1-5H3,(H,40,43)(H,37,38,39)","","2019-07-12","2019-09-13","4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide","2019-09-18"],["XZL","7-[(1~{S})-1-[4-(aminomethyl)phenoxy]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C26 H25 F N2 O5 S","C[CH](Oc1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)Oc4ccc(cc4)CN","InChI=1S/C26H25FN2O5S/c1-15(34-19-10-6-16(13-28)7-11-19)20-4-3-5-21-23(25(26(30)31)29-24(20)21)17-8-9-18(22(27)12-17)14-35(2,32)33/h3-12,15,29H,13-14,28H2,1-2H3,(H,30,31)/t15-/m0/s1","","2023-06-09","2024-06-21","7-[(1~{S})-1-[4-(aminomethyl)phenoxy]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XZM","N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide","C42 H40 F3 N7 O7 S5","N1(Cc2c(CC1)cccc2C(=O)Nc4nc3c(cccc3)s4)c8scc(C(NS(c5cc(S(=O)(C(F)(F)F)=O)c(cc5)NC(CCN6CCOCC6)CSc7ccccc7)(=O)=O)=O)n8;FC(F)(F)[S](=O)(=O)c1cc(ccc1N[CH](CCN2CCOCC2)CSc3ccccc3)[S](=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(C(=O)Nc7sc8ccccc8n7)c6C5;c1ccc(cc1)SCC(CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7","InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1","","2021-01-22","2021-06-18","N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide","2021-06-23"],["L10","N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA","C20 H21 Cl N4 O","Clc1ccc(cc1)NC(=O)/N=C3C=C(NN3c2ccccc2)C(C)(C)C;CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1)c3ccccc3;CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3","InChI=1S/C20H21ClN4O/c1-20(2,3)17-13-18(25(24-17)16-7-5-4-6-8-16)23-19(26)22-15-11-9-14(21)10-12-15/h4-13,24H,1-3H3,(H,22,26)/b23-18+","","2004-09-16","2011-06-04","1-[(3E)-5-tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-3-(4-chlorophenyl)urea",""],["A1BTF","4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide","C16 H16 N2 O2","O=C(Nc1ccccc1C)c1ccc(C)c(c1)C(N)=O;Cc1ccccc1NC(=O)c2ccc(C)c(c2)C(N)=O;Cc1ccccc1NC(=O)c2ccc(c(c2)C(=O)N)C","InChI=1S/C16H16N2O2/c1-10-7-8-12(9-13(10)15(17)19)16(20)18-14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H2,17,19)(H,18,20)","","2025-01-15","2025-02-21","4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide","2025-02-26"],["L11","N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-","C23 H25 Cl F N3 O3","Clc1ccc(cc1COc2cccnc2)NC(=O)C4=CC(F)CC(N3CCOCC3)C4;F[CH]1C[CH](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)N4CCOCC4;c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F","InChI=1S/C23H25ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-11,14,18,20H,6-9,12-13,15H2,(H,27,29)/t18-,20-/m0/s1","","2004-09-16","2011-06-04","(3R,5S)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}-3-fluoro-5-morpholin-4-ylcyclohex-1-ene-1-carboxamide",""],["A1BTO","(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione","C28 H17 Cl N6 O2","Clc1cccc(c1)C=1N(CC#C)C(=O)N(c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21;Clc1cccc(c1)C2=C(n3nnc4ccccc34)C(=O)N(C(=O)N2CC#C)c5cncc6ccccc56;C#CCN1C(=C(C(=O)N(C1=O)c2cncc3c2cccc3)n4c5ccccc5nn4)c6cccc(c6)Cl","InChI=1S/C28H17ClN6O2/c1-2-14-33-25(18-9-7-10-20(29)15-18)26(35-23-13-6-5-12-22(23)31-32-35)27(36)34(28(33)37)24-17-30-16-19-8-3-4-11-21(19)24/h1,3-13,15-17H,14H2","","2025-01-16","2025-07-18","(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione","2025-07-23"],["XZN","4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE","C26 H29 Cl2 N5 O3","Clc1cc(cc(Cl)c1OC)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34;COc1cc2c(cc1OCCCN3CCN(C)CC3)ncc(C#N)c2Nc4cc(Cl)c(OC)c(Cl)c4;CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl","InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-24-14-22-19(13-23(24)34-2)25(17(15-29)16-30-22)31-18-11-20(27)26(35-3)21(28)12-18/h11-14,16H,4-10H2,1-3H3,(H,30,31)","BOSUTINIB ISOFORM 1","2012-10-01","2020-06-17","4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile","2012-10-05"],["L12","3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE","C15 H14 N2","n1ccc(cc1)CCc3c2ccccc2nc3;C(Cc1c[nH]c2ccccc12)c3ccncc3;c1ccc2c(c1)c(c[nH]2)CCc3ccncc3","InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2","INHIBITOR OF P38 KINASE","2004-09-16","2020-06-17","3-(2-pyridin-4-ylethyl)-1H-indole",""],["XZO","1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione","C10 H7 Cl2 N O2","Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O;Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O;c1c(cc(cc1Cl)Cl)N2C(=O)CCC2=O","InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2","","2023-11-14","2024-02-09","1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione","2024-02-14"],["XZP","(1R,2R)-2-aminocyclopentane-1-carboxylic acid","C6 H11 N O2","O=C(C1CCCC1N)O;N[CH]1CCC[CH]1C(O)=O;C1CC(C(C1)N)C(=O)O","InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1","","2017-05-18","2024-09-27","(1R,2R)-2-aminocyclopentane-1-carboxylic acid","2018-02-21"],["L13","4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE","C9 H10 N4 S","S=C1N(N)C(=NN1)c2c(cccc2)C;Cc1ccccc1C2=NNC(=S)N2N;Cc1ccccc1C2=NNC(=S)N2N","InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)","","2006-06-15","2011-06-04","4-amino-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione",""],["A1BTU","5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile","C23 H17 N3 O3 S","N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1C=CC(=S)NC1=O;O=C1NC(=S)C=CN1CCOc2ccccc2Oc3cccc4cc(ccc34)C#N;c1ccc(c(c1)OCCN2C=CC(=S)NC2=O)Oc3cccc4c3ccc(c4)C#N","InChI=1S/C23H17N3O3S/c24-15-16-8-9-18-17(14-16)4-3-7-19(18)29-21-6-2-1-5-20(21)28-13-12-26-11-10-22(30)25-23(26)27/h1-11,14H,12-13H2,(H,25,27,30)","","2025-01-20","2025-09-05","5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile","2025-09-10"],["L14","trans-cyclohexane-1,4-dicarboxylic acid","C8 H12 O4","O=C(O)C1CCC(C(=O)O)CC1;OC(=O)[CH]1CC[CH](CC1)C(O)=O;C1CC(CCC1C(=O)O)C(=O)O","InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-","","2010-12-09","2011-12-30","trans-cyclohexane-1,4-dicarboxylic acid",""],["XZQ","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-[3-(phenylcarbamoyl)phenyl]-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate","C43 H48 N10 O17 P2","O=C(Nc1ccccc1)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O)C123;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8cccc(c8)C(=O)Nc9ccccc9;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8)C(=O)Nc9ccccc9)O","InChI=1S/C43H48N10O17P2/c1-20-11-26-27(12-21(20)2)53-31(56)14-25(22-7-6-8-23(13-22)38(60)48-24-9-4-3-5-10-24)43(53)40(49-42(62)50-41(43)61)51(26)15-28(54)33(57)29(55)16-67-71(63,64)70-72(65,66)68-17-30-34(58)35(59)39(69-30)52-19-47-32-36(44)45-18-46-37(32)52/h3-13,18-19,25,28-31,33-35,39,54-59H,14-17H2,1-2H3,(H,48,60)(H,63,64)(H,65,66)(H2,44,45,46)(H,50,61,62)/t25-,28+,29-,30-,31-,33+,34-,35-,39-,43+/m1/s1","","2022-12-19","2024-06-21","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-[3-(phenylcarbamoyl)phenyl]-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2024-06-26"],["L15","2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE","C12 H15 N3","n2c(c(c1ccc(cc1)CCN)cn2)C;Cc1n[nH]cc1c2ccc(CCN)cc2;Cc1c(c[nH]n1)c2ccc(cc2)CCN","InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)","","2007-03-19","2011-06-04","2-[4-(3-methyl-1H-pyrazol-4-yl)phenyl]ethanamine",""],["XZR","7-[(1~{R})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H27 Cl N2 O5 S","C[CH](OCc1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OCc4ccc(cc4)CN","InChI=1S/C27H27ClN2O5S/c1-16(35-14-18-8-6-17(13-29)7-9-18)21-4-3-5-22-24(26(27(31)32)30-25(21)22)19-10-11-20(23(28)12-19)15-36(2,33)34/h3-12,16,30H,13-15,29H2,1-2H3,(H,31,32)/t16-/m1/s1","","2023-06-09","2024-06-21","7-[(1~{R})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["A1BTY","N-[3-({[2-(4-{[(E)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide","C25 H25 N5 O2","N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)NC(=N)c1ccco1)c1ccco1;N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3occc3)c2)cc1)c4occc4;c1cc(cc(c1)NC(=N)c2ccco2)CNCCc3ccc(cc3)NC(=N)c4ccco4","InChI=1S/C25H25N5O2/c26-24(22-6-2-14-31-22)29-20-10-8-18(9-11-20)12-13-28-17-19-4-1-5-21(16-19)30-25(27)23-7-3-15-32-23/h1-11,14-16,28H,12-13,17H2,(H2,26,29)(H2,27,30)","","2025-01-20","2025-11-21","N-[3-({[2-(4-{[(E)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide","2025-11-26"],["XZS","N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide","C27 H33 F3 N6 O2 S","c2c(cc(c(C1CCN(CC1)C)c2F)F)Nc3nc(c(C)cn3)Nc4ccc(F)c(NS(C(C)(C)C)(=O)=O)c4;CN1CCC(CC1)c2c(F)cc(Nc3ncc(C)c(Nc4ccc(F)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F","InChI=1S/C27H33F3N6O2S/c1-16-15-31-26(33-19-12-21(29)24(22(30)13-19)17-8-10-36(5)11-9-17)34-25(16)32-18-6-7-20(28)23(14-18)35-39(37,38)27(2,3)4/h6-7,12-15,17,35H,8-11H2,1-5H3,(H2,31,32,33,34)","","2021-01-22","2021-02-12","N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide","2021-02-17"],["A1BTZ","(2r,5r)-5-amino-2-hydroxy-5-(hydroxymethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one","C4 H10 N O5 P","NC1(COP(=O)(O)OC1)CO;NC1(CO)CO[P](O)(=O)OC1;C1C(COP(=O)(O1)O)(CO)N","InChI=1S/C4H10NO5P/c5-4(1-6)2-9-11(7,8)10-3-4/h6H,1-3,5H2,(H,7,8)","","2025-01-21","2025-02-14","(2r,5r)-5-amino-2-hydroxy-5-(hydroxymethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one","2025-02-19"],["L17","L17","C22 H20 Cl2 F2 N4 O3","Clc1cccc(c1)C(NC(=O)Cc3[n+]([O-])c(NCC(F)(F)c2[n+]([O-])cccc2)ccc3Cl)C;C[CH](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc[n+]2[O-])[n+]1[O-])c3cccc(Cl)c3;CC(c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl","InChI=1S/C22H20Cl2F2N4O3/c1-14(15-5-4-6-16(23)11-15)28-21(31)12-18-17(24)8-9-20(30(18)33)27-13-22(25,26)19-7-2-3-10-29(19)32/h2-11,14,27H,12-13H2,1H3,(H,28,31)/t14-/m1/s1","2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE","2005-04-04","2021-03-13","2-(3-chloro-6-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-1-oxidopyridin-2-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide",""],["L18","(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine","C18 H29 N","c1ccccc1C(C)CC(CC2N(C)CCCC2)C;C[CH](C[CH](C)c1ccccc1)C[CH]2CCCCN2C;CC(CC1CCCCN1C)CC(C)c2ccccc2","InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1","","2008-04-04","2011-06-04","(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine",""],["XZT","1-(2,4-difluorophenyl)pyrrolidine-2,5-dione","C10 H7 F2 N O2","Fc1cc(F)c(cc1)N1C(=O)CCC1=O;Fc1ccc(N2C(=O)CCC2=O)c(F)c1;c1cc(c(cc1F)F)N2C(=O)CCC2=O","InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2","","2023-11-14","2024-02-09","1-(2,4-difluorophenyl)pyrrolidine-2,5-dione","2024-02-14"],["A1BUA","N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide","C14 H20 N2 O2","Cc1onc(C)c1C(=O)NCCC1=CCCCC1;Cc1onc(C)c1C(=O)NCCC2=CCCCC2;Cc1c(c(on1)C)C(=O)NCCC2=CCCCC2","InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)","","2025-01-22","2025-08-08","N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide","2025-08-13"],["A1BUB","2-hydroxy-4-methylbenzoic acid","C8 H8 O3","OC(=O)c1ccc(C)cc1O;Cc1ccc(C(O)=O)c(O)c1;Cc1ccc(c(c1)O)C(=O)O","InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)","4-methyl salicylic acid","2025-01-22","2025-03-21","2-hydroxy-4-methylbenzoic acid","2025-03-26"],["XZU","3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide","C20 H22 N2 O","O=C(Nc1ccccc1)c1cccc(c1)C1CC1NC1CCC1;O=C(Nc1ccccc1)c2cccc(c2)[CH]3C[CH]3NC4CCC4;c1ccc(cc1)NC(=O)c2cccc(c2)C3CC3NC4CCC4","InChI=1S/C20H22N2O/c23-20(22-17-8-2-1-3-9-17)15-7-4-6-14(12-15)18-13-19(18)21-16-10-5-11-16/h1-4,6-9,12,16,18-19,21H,5,10-11,13H2,(H,22,23)/t18-,19+/m1/s1","","2022-12-19","2024-06-21","3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide","2024-06-26"],["L19","3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid","C26 H24 N2 O3","O=C(O)CCn1c5c(c(c1c2ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5;COc1cnccc1c2c3cc(ccc3n(CCC(O)=O)c2c4ccccc4)C5CC5;COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5","InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)","","2015-08-12","2016-06-17","3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid","2016-06-22"],["XZV","4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide","C14 H18 Cl N3 O3","N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O;Clc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3;c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl","InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20)","","2021-01-25","2021-02-12","4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide","2021-02-17"],["L1A","N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE","C33 H50 N6 O7 S2","O=S(=O)(N1CCOCC1)NC(C(=O)NC(C(=O)NC(CC2CC=CCC2)C(O)C(O)CC(C)C)Cc3nc(sc3)N)Cc4ccccc4;CC(C)C[CH](O)[CH](O)[CH](C[CH]1CCC=CC1)NC(=O)[CH](Cc2csc(N)n2)NC(=O)[CH](Cc3ccccc3)N[S](=O)(=O)N4CCOCC4;CC(C)CC(C(C(CC1CCC=CC1)NC(=O)C(Cc2csc(n2)N)NC(=O)C(Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O","InChI=1S/C33H50N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h3-5,7-8,11-12,21-23,26-30,38,40-41H,6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t23-,26+,27-,28-,29-,30+/m0/s1","","2006-02-27","2011-06-04","N-(morpholin-4-ylsulfonyl)-L-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-N-{(1R,2R,3S)-1-[(1R)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-L-alaninamide",""],["A1BUC","1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","C56 H68 Cl F2 N15 O7","CNC(=O)COC1=Cc2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC(CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(CCc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21)C(F)F;CNC(=O)COC1=Cc2cc(Nc3nc(ncc3Cl)N4CCC(CC4)C(=O)NCCCCC(=O)N5CCC(CC5)n6nc(N7CCCc8cc(c9cnn(C)c9)c(cc78)C(F)F)c%10CN(CCc6%10)C(=O)NC)cc(OC)c2N(C)C1=O;CNC(=O)COC1=Cc2cc(cc(c2N(C1=O)C)OC)Nc3c(cnc(n3)N4CCC(CC4)C(=O)NCCCCC(=O)N5CCC(CC5)n6c7c(c(n6)N8CCCc9c8cc(c(c9)c1cnn(c1)C)C(F)F)CN(CC7)C(=O)NC)Cl","InChI=1S/C56H68ClF2N15O7/c1-60-47(75)32-81-46-25-35-23-37(26-45(80-5)49(35)69(4)54(46)78)65-51-42(57)29-63-55(66-51)71-18-11-33(12-19-71)53(77)62-16-7-6-10-48(76)70-20-13-38(14-21-70)74-43-15-22-72(56(79)61-2)31-41(43)52(67-74)73-17-8-9-34-24-39(36-28-64-68(3)30-36)40(50(58)59)27-44(34)73/h23-30,33,38,50H,6-22,31-32H2,1-5H3,(H,60,75)(H,61,79)(H,62,77)(H,63,65,66)","","2025-01-23","2025-04-11","1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","2025-04-16"],["XZW","[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","C72 H91 F N8 O14 S","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5ccc(OCc6cn(CCCOc7cc(ccc7CNC(=O)[CH]8C[CH](O)CN8C(=O)[CH](NC(=O)C9(F)CC9)C(C)(C)C)c%10scnc%10C)nn6)cc5)cc1OC;Cc1c(scn1)c2ccc(c(c2)OCCCn3cc(nn3)COc4ccc(cc4)C(CCc5ccc(c(c5)OC)OC)OC(=O)C6CCCCN6C(=O)C(c7cc(c(c(c7)OC)OC)OC)C8CCCCC8)CNC(=O)C9CC(CN9C(=O)C(C(C)(C)C)NC(=O)C1(CC1)F)O","InChI=1S/C72H91FN8O14S/c1-44-64(96-43-75-44)48-21-22-49(39-74-66(83)55-38-52(82)41-81(55)68(85)65(71(2,3)4)76-70(87)72(73)29-30-72)58(35-48)93-33-15-31-79-40-51(77-78-79)42-94-53-25-23-46(24-26-53)56(27-19-45-20-28-57(88-5)59(34-45)89-6)95-69(86)54-18-13-14-32-80(54)67(84)62(47-16-11-10-12-17-47)50-36-60(90-7)63(92-9)61(37-50)91-8/h20-26,28,34-37,40,43,47,52,54-56,62,65,82H,10-19,27,29-33,38-39,41-42H2,1-9H3,(H,74,83)(H,76,87)/t52-,54+,55+,56-,62+,65-/m1/s1","","2023-06-09","2023-11-10","[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","2023-11-15"],["A1BUF","(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol","C17 H16 F N3 O","NCc1ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1;Cc1cc(N)nc2cc(c(F)cc12)c3ccc(CN)cc3O;Cc1cc(nc2c1cc(c(c2)c3ccc(cc3O)CN)F)N","InChI=1S/C17H16FN3O/c1-9-4-17(20)21-15-7-13(14(18)6-12(9)15)11-3-2-10(8-19)5-16(11)22/h2-7,22H,8,19H2,1H3,(H2,20,21)","","2025-01-24","2025-11-28","(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol","2025-12-03"],["L1B","7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM","C19 H24 N5 O","n1c(c(c(nc1N)N)c3cc2[n+](cccc2cc3)CCCOC)CC;CCc1nc(N)nc(N)c1c2ccc3ccc[n+](CCCOC)c3c2;CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC","InChI=1S/C19H23N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h4,6-9,12H,3,5,10-11H2,1-2H3,(H3,20,21,23)/p+1","","2006-02-27","2011-06-04","7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium",""],["L1C","(2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide","C28 H22 Cl F2 N5 O4","Clc1ccc(cc1)NC(=O)N3CC(O)(c2ccc(F)cc2F)CC3C(=O)Nc4ncc(cc4)N5C=CC=CC5=O;O[C]1(C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)c5ccc(F)cc5F;c1cc(ccc1NC(=O)N2CC(CC2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl","InChI=1S/C28H22ClF2N5O4/c29-17-4-7-19(8-5-17)33-27(39)36-16-28(40,21-10-6-18(30)13-22(21)31)14-23(36)26(38)34-24-11-9-20(15-32-24)35-12-2-1-3-25(35)37/h1-13,15,23,40H,14,16H2,(H,33,39)(H,32,34,38)/t23-,28-/m1/s1","","2008-11-12","2011-06-04","(2R,4S)-N~1~-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N~2~-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide",""],["A1BUQ","6-chloro-1H-indole-3-carboxylic acid","C9 H6 Cl N O2","O=C(O)c1c[NH]c2cc(Cl)ccc21;OC(=O)c1c[nH]c2cc(Cl)ccc12;c1cc2c(cc1Cl)[nH]cc2C(=O)O","InChI=1S/C9H6ClNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)","","2025-01-27","2026-01-23","6-chloro-1H-indole-3-carboxylic acid","2026-01-28"],["XZX","(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide","C9 H9 Cl2 N O2","Clc1cc(NC(=O)C(C)O)cc(Cl)c1;C[CH](O)C(=O)Nc1cc(Cl)cc(Cl)c1;CC(C(=O)Nc1cc(cc(c1)Cl)Cl)O","InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1","","2023-11-14","2024-02-09","(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide","2024-02-14"],["XZY","4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","C12 H13 Cl F3 N3 O3","N(CC(F)(F)F)C(N2CCN(C(=O)c1ccc(Cl)o1)CC2)=O;FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2;c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl","InChI=1S/C12H13ClF3N3O3/c13-9-2-1-8(22-9)10(20)18-3-5-19(6-4-18)11(21)17-7-12(14,15)16/h1-2H,3-7H2,(H,17,21)","","2021-01-25","2021-02-12","4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","2021-02-17"],["L1D","(2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide","C29 H24 Cl F N4 O4","Clc1ccc(cc1)NC(=O)N3CC(O)(c2ccccc2)CC3C(=O)Nc4c(F)cc(cc4)N5C=CC=CC5=O;O[C]1(C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)c5ccccc5;c1ccc(cc1)C2(CC(N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O","InChI=1S/C29H24ClFN4O4/c30-20-9-11-21(12-10-20)32-28(38)35-18-29(39,19-6-2-1-3-7-19)17-25(35)27(37)33-24-14-13-22(16-23(24)31)34-15-5-4-8-26(34)36/h1-16,25,39H,17-18H2,(H,32,38)(H,33,37)/t25-,29-/m1/s1","","2008-11-12","2011-06-04","(2R,4S)-N~1~-(4-chlorophenyl)-N~2~-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide",""],["XZZ","6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one","C10 H7 Cl O3","Clc2c(O)cc1OC(=O)C=C(c1c2)C;CC1=CC(=O)Oc2cc(O)c(Cl)cc12;CC1=CC(=O)Oc2c1cc(c(c2)O)Cl","InChI=1S/C10H7ClO3/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,12H,1H3","","2012-05-11","2014-09-05","6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one","2013-01-18"],["A1BUU","methyl 2-(4-fluorobenzoyl)benzoate","C15 H11 F O3","O=C(c1ccc(F)cc1)c1ccccc1C(=O)OC;COC(=O)c1ccccc1C(=O)c2ccc(F)cc2;COC(=O)c1ccccc1C(=O)c2ccc(cc2)F","InChI=1S/C15H11FO3/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9H,1H3","","2025-01-27","2026-01-23","methyl 2-(4-fluorobenzoyl)benzoate","2026-01-28"],["L1E","N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine","C26 H19 Cl N8","Clc1ccc(cc1)Nc2nccc3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C;Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc4ncccc4c5ncnc6nc[nH]c56;Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl","InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)","N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine","2009-08-03","2021-03-13","N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine",""],["L1F","N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide","C20 H20 N2 O4","COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21;COc1ccccc1OCCN(C)C(=O)C2=CC(=O)Nc3ccccc23;CN(CCOc1ccccc1OC)C(=O)C2=CC(=O)Nc3c2cccc3","InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)","","2023-08-15","2023-11-03","N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["Y00","DOBUTAMINE","C18 H23 N O3","C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2;CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O","InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1","","2010-11-30","2011-06-04","4-[2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol",""],["Y01","CHOLESTEROL HEMISUCCINATE","C31 H50 O4","CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O;CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C","InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1","","2010-11-30","2011-06-04","4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid",""],["L1G","N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE","C33 H39 N9 O2","O=C(c2cc1ccccc1n2C)Nc3ccc(cc3OC)c5nn(c4ncnc(N)c45)C7CCC(N6CCN(CC6)C)CC7;COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH]5CC[CH](CC5)N6CCN(C)CC6)c7ncnc(N)c47;Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N","InChI=1S/C33H39N9O2/c1-39-14-16-41(17-15-39)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(38-42)22-8-13-25(28(19-22)44-3)37-33(43)27-18-21-6-4-5-7-26(21)40(27)2/h4-8,13,18-20,23-24H,9-12,14-17H2,1-3H3,(H,37,43)(H2,34,35,36)/t23-,24-","","2005-09-03","2011-06-04","N-(4-{4-amino-1-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide",""],["A1HZ6","(5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","C14 H14 N2 O4","COc1ccccc1C2=NO[C]3(CCC(=O)NC3=O)C2;COc1ccccc1C2=NOC3(C2)CCC(=O)NC3=O","InChI=1S/C14H14N2O4/c1-19-11-5-3-2-4-9(11)10-8-14(20-16-10)7-6-12(17)15-13(14)18/h2-5H,6-8H2,1H3,(H,15,17,18)/t14-/m0/s1","","2023-12-13","2024-04-05","(5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","2024-04-10"],["A1HZ7","(5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","C13 H11 Cl N2 O3","Clc1ccccc1C2=NO[C]3(CCC(=O)NC3=O)C2;c1ccc(c(c1)C2=NOC3(C2)CCC(=O)NC3=O)Cl","InChI=1S/C13H11ClN2O3/c14-9-4-2-1-3-8(9)10-7-13(19-16-10)6-5-11(17)15-12(13)18/h1-4H,5-7H2,(H,15,17,18)/t13-/m0/s1","","2023-12-13","2024-04-05","(5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","2024-04-10"],["Y02","(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide","C23 H37 N O6","O=C(NCCOc1c(cc(cc1C)C)C)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C;CO[CH]([CH](O)[CH](O)[CH](O)C=CC(C)(C)C)C(=O)NCCOc1c(C)cc(C)cc1C;Cc1cc(c(c(c1)C)OCCNC(=O)C(C(C(C(C=CC(C)(C)C)O)O)O)OC)C","InChI=1S/C23H37NO6/c1-14-12-15(2)20(16(3)13-14)30-11-10-24-22(28)21(29-7)19(27)18(26)17(25)8-9-23(4,5)6/h8-9,12-13,17-19,21,25-27H,10-11H2,1-7H3,(H,24,28)/b9-8+/t17-,18+,19-,21-/m1/s1","","2010-11-15","2011-06-04","(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide",""],["L1H","3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide","C23 H21 F N4 O2","CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(c2)c3cccnc3)nc4ccccc14;CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O","InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)","","2019-07-12","2019-11-15","3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide","2019-11-20"],["Y03","(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","C14 H12 Cl2 N O5 P","Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)cc(Cl)c2;O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(Cl)cc(Cl)c2;c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O","InChI=1S/C14H12Cl2NO5P/c15-9-5-10(16)7-11(6-9)17-14(18)8-22-12-3-1-2-4-13(12)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21)","","2012-02-02","2013-07-26","(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","2013-07-31"],["L1J","2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one","C10 H13 N5 O4","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO)O3;c1nc2c(n1C3CC(C(O3)CO)O)N=C(NC2=O)N","InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1","","2022-06-09","2022-08-22","2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one","2022-06-15"],["L1K","~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide","C23 H22 N4 O2","CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14;CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O","InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)","","2019-07-12","2019-11-15","~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide","2019-11-20"],["A1I0A","4-[4-[4-[[(6S,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2-carboxamide","C41 H48 N6 O8","COc1cc2C(=O)N3CCC[CH]3[CH](O)Nc2cc1OCCCC(=O)Nc4ccc(cc4)c5cn(C)c(c5)C(=O)Nc6ccc(OCCN7CCOCC7)cc6;Cn1cc(cc1C(=O)Nc2ccc(cc2)OCCN3CCOCC3)c4ccc(cc4)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C(N6)O","InChI=1S/C41H48N6O8/c1-45-26-28(23-35(45)40(50)43-30-11-13-31(14-12-30)54-22-18-46-16-20-53-21-17-46)27-7-9-29(10-8-27)42-38(48)6-4-19-55-37-25-33-32(24-36(37)52-2)41(51)47-15-3-5-34(47)39(49)44-33/h7-14,23-26,34,39,44,49H,3-6,15-22H2,1-2H3,(H,42,48)(H,43,50)/t34-,39-/m0/s1","","2025-01-28","2026-01-30","4-[4-[4-[[(6~{S},6~{a}~{S})-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6~{a},7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-~{N}-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2-carboxamide","2026-02-04"],["Y04","(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","C14 H13 Cl N O5 P","Clc2ccccc2NC(=O)COc1ccccc1P(=O)(O)O;O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2Cl;c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl","InChI=1S/C14H13ClNO5P/c15-10-5-1-2-6-11(10)16-14(17)9-21-12-7-3-4-8-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)","","2012-02-01","2013-07-26","(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","2013-07-31"],["A1I0B","4-[4-[4-[[(6R,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2-carboxamide","C41 H48 N6 O8","COc1cc2C(=O)N3CCC[CH]3[CH](O)Nc2cc1OCCCC(=O)Nc4ccc(cc4)c5cn(C)c(c5)C(=O)Nc6ccc(OCCN7CCOCC7)cc6;Cn1cc(cc1C(=O)Nc2ccc(cc2)OCCN3CCOCC3)c4ccc(cc4)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C(N6)O","InChI=1S/C41H48N6O8/c1-45-26-28(23-35(45)40(50)43-30-11-13-31(14-12-30)54-22-18-46-16-20-53-21-17-46)27-7-9-29(10-8-27)42-38(48)6-4-19-55-37-25-33-32(24-36(37)52-2)41(51)47-15-3-5-34(47)39(49)44-33/h7-14,23-26,34,39,44,49H,3-6,15-22H2,1-2H3,(H,42,48)(H,43,50)/t34-,39+/m0/s1","","2025-01-28","2026-01-30","4-[4-[4-[[(6~{R},6~{a}~{S})-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6~{a},7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-~{N}-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2-carboxamide","2026-02-04"],["L1L","2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose","C6 H14 N O8 P","N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O;C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O","InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1","[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate;\n2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose; 2-amino-2-deoxy-1-O-phosphono-D-glucose;\n2-amino-2-deoxy-1-O-phosphono-glucose","2016-02-09","2020-08-11","[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate","2016-08-10"],["Y05","N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide","C41 H38 Cl F6 N9 O5 S","CC1CN(CC(C)O1)c1cc2N=C(C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC34)N(c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c43)C(=O)c2cc1;C[CH]1CN(C[CH](C)O1)c2ccc3C(=O)N(C(=Nc3c2)[CH](Cc4cc(F)cc(F)c4)NC(=O)Cn5nc(C(F)F)c6[CH]7C[CH]7C(F)(F)c56)c8ccc(Cl)c9c(N[S](C)(=O)=O)nn(C)c89;CC1CN(CC(O1)C)c2ccc3c(c2)N=C(N(C3=O)c4ccc(c5c4n(nc5NS(=O)(=O)C)C)Cl)C(Cc6cc(cc(c6)F)F)NC(=O)Cn7c8c(c(n7)C(F)F)C9CC9C8(F)F","InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1","","2022-12-19","2023-02-10","N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide","2023-02-15"],["Y06","(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","C14 H13 Cl N O5 P","Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)ccc2;O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2;c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O","InChI=1S/C14H13ClNO5P/c15-10-4-3-5-11(8-10)16-14(17)9-21-12-6-1-2-7-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)","","2012-02-01","2013-07-26","(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","2013-07-31"],["A1I0F","[3-[(1~{S})-1-oxidanyl-2-piperidin-1-yl-ethyl]-5-piperidin-1-ylcarbonyloxy-phenyl] piperidine-1-carboxylate","C25 H37 N3 O5","O[CH](CN1CCCCC1)c2cc(OC(=O)N3CCCCC3)cc(OC(=O)N4CCCCC4)c2;c1c(cc(cc1OC(=O)N2CCCCC2)OC(=O)N3CCCCC3)C(CN4CCCCC4)O","InChI=1S/C25H37N3O5/c29-23(19-26-10-4-1-5-11-26)20-16-21(32-24(30)27-12-6-2-7-13-27)18-22(17-20)33-25(31)28-14-8-3-9-15-28/h16-18,23,29H,1-15,19H2","","2025-01-29","2026-01-30","[3-[(1~{S})-1-oxidanyl-2-piperidin-1-yl-ethyl]-5-piperidin-1-ylcarbonyloxy-phenyl] piperidine-1-carboxylate","2026-02-04"],["L1M","ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate","C8 H19 N2 O2 P","C(C)N(/C(C)=N/P(OCC)=O)CC;CCO[PH](=O)N=C(C)N(CC)CC;CCN(CC)C(=NP(=O)OCC)C","InChI=1S/C8H19N2O2P/c1-5-10(6-2)8(4)9-13(11)12-7-3/h13H,5-7H2,1-4H3/b9-8+","","2019-01-31","2024-09-27","ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate","2020-07-01"],["A1I0Q","2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide","C23 H20 Cl2 N4 O","Cc1cccc(Cl)c1Nc2n3ccccc3nc2c4ccc(CNC(=O)CCl)cc4;Cc1cccc(c1Nc2c(nc3n2cccc3)c4ccc(cc4)CNC(=O)CCl)Cl","InChI=1S/C23H20Cl2N4O/c1-15-5-4-6-18(25)21(15)28-23-22(27-19-7-2-3-12-29(19)23)17-10-8-16(9-11-17)14-26-20(30)13-24/h2-12,28H,13-14H2,1H3,(H,26,30)","","2025-01-31","2025-07-25","2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide","2025-07-30"],["L1N","4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide","C21 H15 N5 O3 S2","Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5;c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Cc3c4c(ccc5c4scn5)[nH]c3O","InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)/b23-11+","","2022-11-06","2023-10-27","4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide","2023-11-01"],["Y07","[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid","C15 H12 Cl F3 N O5 P","Clc2ccc(cc2NC(=O)COc1ccccc1P(=O)(O)O)C(F)(F)F;O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F;c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O","InChI=1S/C15H12ClF3NO5P/c16-10-6-5-9(15(17,18)19)7-11(10)20-14(21)8-25-12-3-1-2-4-13(12)26(22,23)24/h1-7H,8H2,(H,20,21)(H2,22,23,24)","","2012-02-01","2013-07-26","[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid","2013-07-31"],["L1O","4-(2-aminoethoxy)-3,5-dichlorobenzoic acid","C9 H9 Cl2 N O3","Clc1cc(cc(Cl)c1OCCN)C(=O)O;NCCOc1c(Cl)cc(cc1Cl)C(O)=O;c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O","InChI=1S/C9H9Cl2NO3/c10-6-3-5(9(13)14)4-7(11)8(6)15-2-1-12/h3-4H,1-2,12H2,(H,13,14)","","2007-12-05","2011-06-04","4-(2-aminoethoxy)-3,5-dichlorobenzoic acid",""],["Y08","(E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide","C22 H38 N2 O6","O=C(N1CCCC(CNC(=O)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C)C1)C2CC2;CO[CH]([CH](O)[CH](O)[CH](O)C=CC(C)(C)C)C(=O)NC[CH]1CCCN(C1)C(=O)C2CC2;CC(C)(C)C=CC(C(C(C(C(=O)NCC1CCCN(C1)C(=O)C2CC2)OC)O)O)O","InChI=1S/C22H38N2O6/c1-22(2,3)10-9-16(25)17(26)18(27)19(30-4)20(28)23-12-14-6-5-11-24(13-14)21(29)15-7-8-15/h9-10,14-19,25-27H,5-8,11-13H2,1-4H3,(H,23,28)/b10-9+/t14-,16+,17-,18+,19+/m0/s1","","2010-11-15","2012-06-17","(2R,3R,4S,5R,6E)-N-{[(3S)-1-(cyclopropylcarbonyl)piperidin-3-yl]methyl}-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)",""],["A1I0R","2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide","C22 H24 Cl2 N4 O","Cc1cccc(Cl)c1Nc2n3ccccc3nc2[CH]4CC[CH](CC4)NC(=O)CCl;Cc1cccc(c1Nc2c(nc3n2cccc3)C4CCC(CC4)NC(=O)CCl)Cl","InChI=1S/C22H24Cl2N4O/c1-14-5-4-6-17(24)20(14)27-22-21(26-18-7-2-3-12-28(18)22)15-8-10-16(11-9-15)25-19(29)13-23/h2-7,12,15-16,27H,8-11,13H2,1H3,(H,25,29)/t15-,16-","","2025-01-31","2025-07-25","2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide","2025-07-30"],["L1P","3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL","C43 H89 O6 P","O=P(O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1","1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE","1999-09-22","2021-03-13","(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate",""],["Y09","(2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","C15 H16 N O6 P","O=P(O)(O)c2ccccc2OCC(=O)Nc1cccc(OC)c1;COc1cccc(NC(=O)COc2ccccc2[P](O)(O)=O)c1;COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O","InChI=1S/C15H16NO6P/c1-21-12-6-4-5-11(9-12)16-15(17)10-22-13-7-2-3-8-14(13)23(18,19)20/h2-9H,10H2,1H3,(H,16,17)(H2,18,19,20)","","2012-02-01","2013-07-26","(2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","2013-07-31"],["A1I0V","2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide","C22 H19 Cl N4 O","ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2NCc4ccccc4;c1ccc(cc1)CNc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl","InChI=1S/C22H19ClN4O/c23-14-20(28)25-18-11-9-17(10-12-18)21-22(24-15-16-6-2-1-3-7-16)27-13-5-4-8-19(27)26-21/h1-13,24H,14-15H2,(H,25,28)","","2025-01-31","2025-07-25","2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide","2025-07-30"],["Y0A","N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide","C14 H21 N3 O3","N2(CCN(C(=O)c1ccco1)CC2)C(NCCCC)=O;CCCCNC(=O)N1CCN(CC1)C(=O)c2occc2;CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2","InChI=1S/C14H21N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19)","","2021-01-25","2021-02-12","N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["L1Q","2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide","C9 H9 F4 N O2 S","CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O;CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F","InChI=1S/C9H9F4NO2S/c1-2-3-4-5(10)7(12)9(17(14,15)16)8(13)6(4)11/h2-3H2,1H3,(H2,14,15,16)","","2019-07-13","2020-04-10","2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide","2020-04-15"],["Y0B","2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol","C18 H21 N3 O2","COc1cccc(CNc2nc3ccccc3n2CCC)c1O;CCCn1c(NCc2cccc(OC)c2O)nc3ccccc13;CCCn1c2ccccc2nc1NCc3cccc(c3O)OC","InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20)","","2023-06-09","2024-04-26","2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol","2024-05-01"],["L1R","4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE","C18 H20 Cl2 N2 O3","Clc1cc(cc(Cl)c1OCCN)C(=O)Nc2cccc(OC(C)C)c2;CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1;CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl","InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23)","","2007-12-05","2011-06-04","4-(2-aminoethoxy)-3,5-dichloro-N-[3-(1-methylethoxy)phenyl]benzamide",""],["A1I0Y","2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide","C23 H21 Cl N4 O2","COc1cccc(C)c1Nc2n3ccccc3nc2c4ccc(NC(=O)CCl)cc4;Cc1cccc(c1Nc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl)OC","InChI=1S/C23H21ClN4O2/c1-15-6-5-7-18(30-2)21(15)27-23-22(26-19-8-3-4-13-28(19)23)16-9-11-17(12-10-16)25-20(29)14-24/h3-13,27H,14H2,1-2H3,(H,25,29)","","2025-01-31","2025-07-25","2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide","2025-07-30"],["A1I0Z","2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide","C21 H17 Cl N4 O","ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2Nc4ccccc4;c1ccc(cc1)Nc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl","InChI=1S/C21H17ClN4O/c22-14-19(27)23-17-11-9-15(10-12-17)20-21(24-16-6-2-1-3-7-16)26-13-5-4-8-18(26)25-20/h1-13,24H,14H2,(H,23,27)","","2025-01-31","2025-07-25","2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide","2025-07-30"],["Y0C","(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one","C9 H8 F N O S","O=C1NC(SC1)c1ccccc1F;Fc1ccccc1[CH]2NC(=O)CS2;c1ccc(c(c1)C2NC(=O)CS2)F","InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1","","2023-11-14","2024-02-09","(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one","2024-02-14"],["L1S","methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate","C25 H23 N7 O4","O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC)=O)CC2)=O)cc3)nc4ccc5)N;COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5C(N)=O)n4;COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N","InChI=1S/C25H23N7O4/c1-36-24(35)17-13-27-25(28-14-17)32-11-9-31(10-12-32)23(34)16-7-5-15(6-8-16)22-29-19-4-2-3-18(21(26)33)20(19)30-22/h2-8,13-14H,9-12H2,1H3,(H2,26,33)(H,29,30)","","2019-01-31","2020-01-31","methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate","2020-02-05"],["A1I1A","(4~{a}~{R},10~{a}~{S})-1,1-dimethyl-5,6-bis(oxidanyl)-9-oxidanylidene-7-propan-2-yl-3,4,10,10~{a}-tetrahydro-2~{H}-phenanthrene-4~{a}-carboxylic acid","C20 H26 O5","CC(C)c1cc2C(=O)C[CH]3C(C)(C)CCC[C]3(C(O)=O)c2c(O)c1O;CC(C)c1cc2c(c(c1O)O)C3(CCCC(C3CC2=O)(C)C)C(=O)O","InChI=1S/C20H26O5/c1-10(2)11-8-12-13(21)9-14-19(3,4)6-5-7-20(14,18(24)25)15(12)17(23)16(11)22/h8,10,14,22-23H,5-7,9H2,1-4H3,(H,24,25)/t14-,20+/m0/s1","","2025-02-05","2026-02-13","(4~{a}~{R},10~{a}~{S})-1,1-dimethyl-5,6-bis(oxidanyl)-9-oxidanylidene-7-propan-2-yl-3,4,10,10~{a}-tetrahydro-2~{H}-phenanthrene-4~{a}-carboxylic acid","2026-02-18"],["Y0D","N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C14 H19 N3 O2 S","N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O;O=C(NCC1CC1)N2CCN(CC2)C(=O)c3sccc3;c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3","InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)","","2021-01-25","2021-02-12","N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["L1T","4-methyl-5-phenyl-thiophene-2-carboximidamide","C12 H12 N2 S","Cc1cc(sc1c2ccccc2)C(N)=N;Cc1cc(sc1c2ccccc2)C(=N)N","InChI=1S/C12H12N2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)","","2019-07-15","2020-06-12","4-methyl-5-phenyl-thiophene-2-carboximidamide","2020-06-17"],["L1U","[(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol","C12 H15 As N6 O S2","Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1;c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3SCC(S3)CO","InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m1/s1","","2023-08-21","2024-05-24","[(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol","2024-05-29"],["A1I1B","(2~{S})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid","C31 H41 N7 O6","CC(C)C[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccccc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](Cc3ccccc3)C=O;CC(C)CC(C(=O)NC(Cc1ccccc1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(Cc3ccccc3)C(=O)O","InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1","","2025-02-06","2025-08-01","(2~{S})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid","2025-08-06"],["Y0E","N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide","C30 H27 N3 O2","CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1;C[CH](NC(=O)[CH](N(C(=O)C=C)c1ccc(cc1)c2ccccc2)c3cccnc3)c4ccccc4;CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)C=C","InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29+/m0/s1","","2022-12-19","2024-09-27","N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide","2023-08-09"],["L1V","4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid","C15 H16 O5","C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=O;c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(=O)O","InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1","","2019-01-31","2020-01-31","4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid","2020-02-05"],["A1I1E","1-[7,10-bis(2-chloranylethanoyl)-3,7,10-triazatricyclo[3.3.3.0^{1,5}]undecan-3-yl]-2-chloranyl-ethanone","C14 H18 Cl3 N3 O3","ClCC(=O)N1CC23CN(CC2(C1)CN(C3)C(=O)CCl)C(=O)CCl;C1C23CN(CC2(CN1C(=O)CCl)CN(C3)C(=O)CCl)C(=O)CCl","InChI=1S/C14H18Cl3N3O3/c15-1-10(21)18-4-13-6-19(11(22)2-16)7-14(13,5-18)9-20(8-13)12(23)3-17/h1-9H2/t13-,14+","","2025-02-06","2025-10-10","1-[7,10-bis(2-chloranylethanoyl)-3,7,10-triazatricyclo[3.3.3.0^{1,5}]undecan-3-yl]-2-chloranyl-ethanone","2025-10-15"],["Y0F","(2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","C24 H27 F3 N6 O3","FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)N1CCc2[NH]nnc2C1;FC(F)(F)Oc1ccc(C=CC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)N4CCc5[nH]nnc5C4)cc1;c1cc(ccc1C=CC(=O)N2CCC3CN(CC3CC2)C(=O)N4CCc5c(nn[nH]5)C4)OC(F)(F)F","InChI=1S/C24H27F3N6O3/c25-24(26,27)36-19-4-1-16(2-5-19)3-6-22(34)31-10-7-17-13-33(14-18(17)8-11-31)23(35)32-12-9-20-21(15-32)29-30-28-20/h1-6,17-18H,7-15H2,(H,28,29,30)","","2023-06-09","2024-12-13","(2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","2024-12-18"],["L1W","~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide","C39 H38 N6 O4","CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)cc6)c7ccccc7)c2c1;CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7","InChI=1S/C39H38N6O4/c1-2-35(47)40-29-14-17-32-34(23-29)45(39(49)42-32)30-18-20-44(21-19-30)24-26-8-12-28(13-9-26)36-37(27-6-4-3-5-7-27)43-38(48)33(41-36)22-25-10-15-31(46)16-11-25/h3-17,23,30,46H,2,18-22,24H2,1H3,(H,40,47)(H,42,49)(H,43,48)","","2019-07-15","2019-10-11","~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide","2019-10-16"],["Y0G","N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C17 H18 F N3 O4","N2(C(=O)Nc1ccc(OC)cc1F)CCN(CC2)C(c3occc3)=O;COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)c(F)c1;COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3","InChI=1S/C17H18FN3O4/c1-24-12-4-5-14(13(18)11-12)19-17(23)21-8-6-20(7-9-21)16(22)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,23)","","2021-01-25","2021-02-12","N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["Y0H","3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine","C10 H10 Cl N3","Cn1nc(cc1N)c1ccc(Cl)cc1;Cn1nc(cc1N)c2ccc(Cl)cc2;Cn1c(cc(n1)c2ccc(cc2)Cl)N","InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3","","2023-11-14","2024-02-09","3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine","2024-02-14"],["L1X","N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide","C30 H22 F2 N6 O3","Fc1ccc(cc1)N2C(=CC=C(C2=O)C(=O)Nc6ccc(Oc3cc5c(cc3c4cnnc4)n(nc5)C)c(F)c6)C;Cn1ncc2cc(Oc3ccc(NC(=O)C4=CC=C(C)N(C4=O)c5ccc(F)cc5)cc3F)c(cc12)c6c[nH]nc6;CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C","InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)","","2012-04-05","2013-04-05","N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide","2013-04-10"],["A1I1O","Naproxenoyl-CoA","C35 H48 N7 O18 P3 S","COc1ccc2ccc(cc2c1)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45;CC(c1ccc2ccc(cc2c1)OC)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O","InChI=1S/C35H48N7O18P3S/c1-19(21-6-5-20-7-8-23(55-4)14-22(20)13-21)34(47)64-12-11-37-25(43)9-10-38-32(46)29(45)35(2,3)16-57-63(53,54)60-62(51,52)56-15-24-28(59-61(48,49)50)27(44)33(58-24)42-18-41-26-30(36)39-17-40-31(26)42/h5-8,13-14,17-19,24,27-29,33,44-45H,9-12,15-16H2,1-4H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t19-,24+,27+,28+,29+,33+/m0/s1","~{S}-[2-[3-[[(2~{S})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(7-methoxynaphthalen-2-yl)propanethioate","2025-02-10","2025-06-06","~{S}-[2-[3-[[(2~{S})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(7-methoxynaphthalen-2-yl)propanethioate","2025-06-11"],["A1I1R","(4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","C21 H24 N8 O S","C[CH]1CNCCN1c2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45;CC1CNCCN1c2nccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C","InChI=1S/C21H24N8OS/c1-12-11-24-8-9-29(12)20-25-7-5-14(26-20)18-27-19(30-28-18)21(2)6-3-4-15-16(21)13(10-22)17(23)31-15/h5,7,12,24H,3-4,6,8-9,11,23H2,1-2H3/t12-,21-/m0/s1","","2025-02-11","2025-08-01","(4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2025-08-06"],["L1Y","4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid","C15 H16 O5","C1(C(CCC1)CC(=O)O)C(c2ccc(cc2)C(O)=O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=O;c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(=O)O","InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m1/s1","","2019-01-31","2020-01-31","4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid","2020-02-05"],["Y0I","(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide","C30 H28 N4 O2","CC(NC(=O)C(N(C(=O)CC=N)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1;C[CH](NC(=O)[CH](N(C(=O)CC=N)c1ccc(cc1)c2ccccc2)c3cccnc3)c4ccccc4;CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CC=N","InChI=1S/C30H28N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,19-22,29,31H,18H2,1H3,(H,33,36)/t22-,29+/m0/s1","","2022-12-19","2024-09-27","(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide","2023-08-09"],["A1I1U","8-[3-(6-cyano-1~{H}-indol-2-yl)-5-[[1-[2-(methylamino)phenyl]carbonylpiperidin-4-yl]amino]-1,2,4-triazol-1-yl]octanoic acid","C32 H38 N8 O3","CNc1ccccc1C(=O)N2CCC(CC2)Nc3nc(nn3CCCCCCCC(O)=O)c4[nH]c5cc(ccc5c4)C#N;CNc1ccccc1C(=O)N2CCC(CC2)Nc3nc(nn3CCCCCCCC(=O)O)c4cc5ccc(cc5[nH]4)C#N","InChI=1S/C32H38N8O3/c1-34-26-10-7-6-9-25(26)31(43)39-17-14-24(15-18-39)35-32-37-30(28-20-23-13-12-22(21-33)19-27(23)36-28)38-40(32)16-8-4-2-3-5-11-29(41)42/h6-7,9-10,12-13,19-20,24,34,36H,2-5,8,11,14-18H2,1H3,(H,41,42)(H,35,37,38)","","2025-02-13","2025-11-07","8-[3-(6-cyano-1~{H}-indol-2-yl)-5-[[1-[2-(methylamino)phenyl]carbonylpiperidin-4-yl]amino]-1,2,4-triazol-1-yl]octanoic acid","2025-11-12"],["Y0J","N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C17 H16 N4 O4","n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O;O=C(Nc1oc2ccccc2n1)N3CCN(CC3)C(=O)c4occc4;c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4","InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23)","","2021-01-25","2021-02-12","N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["L1Z","~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide","C33 H34 N6 O3","CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1;CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6","InChI=1S/C33H34N6O3/c1-3-29(40)35-25-13-14-27-28(19-25)39(33(42)36-27)26-15-17-38(18-16-26)20-22-9-11-24(12-10-22)31-30(23-7-5-4-6-8-23)34-21(2)32(41)37-31/h4-14,19,26H,3,15-18,20H2,1-2H3,(H,35,40)(H,36,42)(H,37,41)","","2019-07-15","2019-10-11","~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide","2019-10-16"],["L20","(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE","C24 H23 N5 O","n2c(c1cc(ccc1n2)c5cc(OCC(N)Cc4c3ccccc3nc4)cnc5)C;Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4c[nH]c5ccccc45)c3;Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4c[nH]c5c4cccc5)N","InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1","","2007-01-12","2011-06-04","(2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine",""],["Y0K","6-[(3aR,6aS)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridine-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide","C26 H31 N5 O6 S","NS(=O)(=O)c1ccc(nc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc(c(nc1)OC1CCOCC1)C1CC1;N[S](=O)(=O)c1ccc(nc1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4cnc(OC5CCOCC5)c(c4)C6CC6;c1cc(ncc1S(=O)(=O)N)C(=O)N2CC3CN(CC3C2)C(=O)c4cc(c(nc4)OC5CCOCC5)C6CC6","InChI=1S/C26H31N5O6S/c27-38(34,35)21-3-4-23(28-11-21)26(33)31-14-18-12-30(13-19(18)15-31)25(32)17-9-22(16-1-2-16)24(29-10-17)37-20-5-7-36-8-6-20/h3-4,9-11,16,18-20H,1-2,5-8,12-15H2,(H2,27,34,35)","","2023-06-09","2024-12-13","6-[(3aR,6aS)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridine-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide","2024-12-18"],["A1I1V","2-amino-6-chloro-3-phenyl-1H-quinolin-4-one","C15 H11 Cl N2 O","NC1=C(C(=O)c2cc(Cl)ccc2N1)c3ccccc3;c1ccc(cc1)C2=C(Nc3ccc(cc3C2=O)Cl)N","InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)14(19)13(15(17)18-12)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)","2-azanyl-6-chloranyl-3-phenyl-1H-quinolin-4-one","2025-02-13","2025-12-12","2-azanyl-6-chloranyl-3-phenyl-1~{H}-quinolin-4-one","2025-12-17"],["Y0L","N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide","C16 H15 N O2","O=C(NCc1cc2CCOc2cc1)c1ccccc1;O=C(NCc1ccc2OCCc2c1)c3ccccc3;c1ccc(cc1)C(=O)NCc2ccc3c(c2)CCO3","InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)","","2023-11-14","2024-02-09","N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide","2024-02-14"],["A1I1Y","~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide","C27 H25 F N6 O","CCc1ccccc1C(=O)Nc2n[nH]c3c(C)c(F)c(cc23)C4C(=C(C)N(C)C(=C4C#N)C)C#N;CCc1ccccc1C(=O)Nc2c3cc(c(c(c3[nH]n2)C)F)C4C(=C(N(C(=C4C#N)C)C)C)C#N","InChI=1S/C27H25FN6O/c1-6-17-9-7-8-10-18(17)27(35)31-26-20-11-19(24(28)14(2)25(20)32-33-26)23-21(12-29)15(3)34(5)16(4)22(23)13-30/h7-11,23H,6H2,1-5H3,(H2,31,32,33,35)","","2025-02-14","2025-08-29","~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide","2025-09-03"],["L21","3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine","C10 H13 N5","N=1C2=C(N=CN(C2=NC=1)CC=C(/C)C)N;CC(C)=CCn1cnc(N)c2ncnc12;CC(=CCn1cnc(c-2ncnc12)N)C","InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3","","2008-12-19","2011-06-04","3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine",""],["A1I1Z","(4~{S})-2-azanyl-4-methyl-4-[3-[2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","C22 H25 N7 O2 S","CN1CCC[CH]1COc2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45;CC1(CCCc2c1c(c(s2)N)C#N)c3nc(no3)c4ccnc(n4)OCC5CCCN5C","InChI=1S/C22H25N7O2S/c1-22(8-3-6-16-17(22)14(11-23)18(24)32-16)20-27-19(28-31-20)15-7-9-25-21(26-15)30-12-13-5-4-10-29(13)2/h7,9,13H,3-6,8,10,12,24H2,1-2H3/t13-,22-/m0/s1","","2025-02-14","2025-08-01","(4~{S})-2-azanyl-4-methyl-4-[3-[2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2025-08-06"],["Y0M","8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide","C14 H13 F N2 O7 S2","COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O;COc1ncccc1N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O;COc1c(cccn1)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F","InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3","","2022-12-20","2024-09-27","8-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride","2023-12-06"],["L22","4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine","C7 H7 N5 S","n1c(nccc1c2nc(sc2)N)N;Nc1scc(n1)c2ccnc(N)n2;c1cnc(nc1c2csc(n2)N)N","InChI=1S/C7H7N5S/c8-6-10-2-1-4(11-6)5-3-13-7(9)12-5/h1-3H,(H2,9,12)(H2,8,10,11)","","2008-12-19","2011-06-04","4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine",""],["L23","4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine","C15 H13 Cl2 N5","Clc1c(c(Cl)ccc1)Cn2cc(nc2C)c3nc(ncc3)N;Cc1nc(cn1Cc2c(Cl)cccc2Cl)c3ccnc(N)n3;Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N","InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)","","2008-12-19","2011-06-04","4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine",""],["Y0N","2-[6-(4-acetylpiperazin-1-yl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide","C23 H23 Cl2 N5 O4","O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C(=O)Nc2cc1;CC(=O)N1CCN(CC1)c2ccc3NC(=O)N(CC(=O)NCc4ccc(Cl)c(Cl)c4)C(=O)c3c2;CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C(=O)N3)CC(=O)NCc4ccc(c(c4)Cl)Cl","InChI=1S/C23H23Cl2N5O4/c1-14(31)28-6-8-29(9-7-28)16-3-5-20-17(11-16)22(33)30(23(34)27-20)13-21(32)26-12-15-2-4-18(24)19(25)10-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,32)(H,27,34)","","2023-06-09","2024-12-13","2-[6-(4-acetylpiperazin-1-yl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide","2024-12-18"],["A1I29","5,6-dihydro-4~{H}-cyclopenta[b]thiophen-2-ylmethanamine","C8 H11 N S","NCc1sc2CCCc2c1;c1c2c(sc1CN)CCC2","InChI=1S/C8H11NS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5,9H2","","2025-02-18","2026-01-16","5,6-dihydro-4~{H}-cyclopenta[b]thiophen-2-ylmethanamine","2026-01-21"],["A1I2A","5-pyrrolidin-1-ylsulfonyl-1~{H}-pyridin-2-one","C9 H12 N2 O3 S","O=C1NC=C(C=C1)[S](=O)(=O)N2CCCC2;C1CCN(C1)S(=O)(=O)C2=CNC(=O)C=C2","InChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12)","","2025-02-17","2026-01-16","5-pyrrolidin-1-ylsulfonyl-1~{H}-pyridin-2-one","2026-01-21"],["L24","[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID","C21 H25 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O;Nc1nc(O)c2C[CH](CCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CNc2n1;c1cc(ccc1CCC2Cc3c(nc(nc3O)N)NC2)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1","LY249543","1999-12-14","2020-06-17","N-[(4-{2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid",""],["Y0O","5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid","C15 H17 N O2","OC(=O)c1cc(C#CCC2CCCCC2)cnc1;OC(=O)c1cncc(c1)C#CCC2CCCCC2;c1c(cncc1C(=O)O)C#CCC2CCCCC2","InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18)","","2023-11-14","2024-02-09","5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid","2024-02-14"],["Y0P","8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide","C15 H13 F2 N O7 S2","Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O;COc1cc(F)cc(N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O)c1;COc1cc(cc(c1)F)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F","InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3","","2022-12-20","2024-09-27","8-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride","2023-12-06"],["A1I2E","2-methyl-1,8-naphthyridine-3-carboxylic acid","C10 H8 N2 O2","Cc1nc2ncccc2cc1C(O)=O;Cc1c(cc2cccnc2n1)C(=O)O","InChI=1S/C10H8N2O2/c1-6-8(10(13)14)5-7-3-2-4-11-9(7)12-6/h2-5H,1H3,(H,13,14)","","2025-02-17","2026-01-16","2-methyl-1,8-naphthyridine-3-carboxylic acid","2026-01-21"],["L25","~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C22 H27 N3 O6 S","COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4;Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O","InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27)","","2019-07-16","2020-12-04","~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["A1I2F","3-cyclopropyl-1,2-oxazol-5-amine","C6 H8 N2 O","Nc1onc(c1)C2CC2;c1c(noc1N)C2CC2","InChI=1S/C6H8N2O/c7-6-3-5(8-9-6)4-1-2-4/h3-4H,1-2,7H2","","2025-02-17","2026-01-16","3-cyclopropyl-1,2-oxazol-5-amine","2026-01-21"],["Y0Q","[(3aR,3bR,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-chloro-4-(cyclopropylmethoxy)pyridin-2-yl]methanone","C25 H25 Cl N6 O3","Clc1cnc(cc1OCC1CC1)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;Clc1cnc(cc1OCC2CC2)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;c1cc2c(cc1C(=O)N3CC4C(C3)C5C4CN(C5)C(=O)c6cc(c(cn6)Cl)OCC7CC7)nn[nH]2","InChI=1S/C25H25ClN6O3/c26-19-7-27-22(6-23(19)35-12-13-1-2-13)25(34)32-10-17-15-8-31(9-16(15)18(17)11-32)24(33)14-3-4-20-21(5-14)29-30-28-20/h3-7,13,15-18H,1-2,8-12H2,(H,28,29,30)","","2023-06-09","2024-12-13","[(3aR,3bR,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-chloro-4-(cyclopropylmethoxy)pyridin-2-yl]methanone","2024-12-18"],["L26","4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","C18 H21 N3 O4","c1(cc(ccc1)NC(c2c(c(C(C)=O)c(C)n2)CC)=O)OCC(N)=O;CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(OCC(N)=O)c2;CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C","InChI=1S/C18H21N3O4/c1-4-14-16(11(3)22)10(2)20-17(14)18(24)21-12-6-5-7-13(8-12)25-9-15(19)23/h5-8,20H,4,9H2,1-3H3,(H2,19,23)(H,21,24)","","2015-08-05","2016-01-15","4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","2016-01-20"],["L27","{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2-\nHYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER","C35 H37 N3 O6","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6;O[CH](C[C]1(Cc2ccccc2)NC=C([CH]3CNC(=O)c4ccccc34)C1=O)[CH](Cc5ccccc5)NC(=O)O[CH]6CCOC6;c1ccc(cc1)CC(C(CC2(C(=O)C(=CN2)C3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)OC6CCOC6","InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1","LDC271 INHIBITOR","2003-01-22","2020-06-17","(3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate",""],["Y0R","5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","C13 H12 N4 O2 S2","Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O;Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N","InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19)","","2015-10-22","2015-11-06","5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","2015-11-11"],["L28","N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide","C19 H26 N4 O5 S","c1cc(cc(c1O)NC(c2c(c(C(N)=O)c(C)n2)CC)=O)S(N(CC)CC)(=O)=O;CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)c1;CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N","InChI=1S/C19H26N4O5S/c1-5-13-16(18(20)25)11(4)21-17(13)19(26)22-14-10-12(8-9-15(14)24)29(27,28)23(6-2)7-3/h8-10,21,24H,5-7H2,1-4H3,(H2,20,25)(H,22,26)","","2015-08-05","2016-01-15","N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide","2016-01-20"],["Y0S","N-[(3-methylthiophen-2-yl)methyl]benzamide","C13 H13 N O S","Cc1ccsc1CNC(=O)c1ccccc1;Cc1ccsc1CNC(=O)c2ccccc2;Cc1ccsc1CNC(=O)c2ccccc2","InChI=1S/C13H13NOS/c1-10-7-8-16-12(10)9-14-13(15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)","","2023-11-14","2024-02-09","N-[(3-methylthiophen-2-yl)methyl]benzamide","2024-02-14"],["A1I2R","4-(trifluoromethyl)-3~{H}-pyridin-6-one","C6 H4 F3 N O","FC(F)(F)C1=CC(=O)N=CC1;C1C=NC(=O)C=C1C(F)(F)F","InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h2-3H,1H2","","2025-02-17","2026-01-16","4-(trifluoromethyl)-3~{H}-pyridin-6-one","2026-01-21"],["L29","N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)","C46 H52 N6 O10 S2","O=S(=O)(N(C(C(=O)NO)C(C)C)CCNC(=O)c3cccc(C(=O)NCCN(C(C(=O)NO)C(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5;CC(C)[CH](N(CCNC(=O)c1cccc(c1)C(=O)NCCN([CH](C(C)C)C(=O)NO)[S](=O)(=O)c2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccc(cc4)c5ccccc5)C(=O)NO;CC(C)C(C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN(C(C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5","InChI=1S/C46H52N6O10S2/c1-31(2)41(45(55)49-57)51(63(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)28-26-47-43(53)37-16-11-17-38(30-37)44(54)48-27-29-52(42(32(3)4)46(56)50-58)64(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1","","2012-09-19","2013-04-19","N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)","2013-04-24"],["A1I2T","methyl 3,5-dimethyl-1~{H}-pyrazole-4-carboxylate","C7 H10 N2 O2","COC(=O)c1c(C)[nH]nc1C;Cc1c(c(n[nH]1)C)C(=O)OC","InChI=1S/C7H10N2O2/c1-4-6(7(10)11-3)5(2)9-8-4/h1-3H3,(H,8,9)","","2025-02-17","2026-01-16","methyl 3,5-dimethyl-1~{H}-pyrazole-4-carboxylate","2026-01-21"],["Y0T","N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide","C20 H19 N O8 S2","Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1;Oc1ccc(cc1O)[S](=O)(=O)NCCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3;c1cc(ccc1CCNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O","InChI=1S/C20H19NO8S2/c22-17-7-5-15(11-19(17)24)30(26,27)14-3-1-13(2-4-14)9-10-21-31(28,29)16-6-8-18(23)20(25)12-16/h1-8,11-12,21-25H,9-10H2","","2022-12-20","2023-04-07","N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide","2023-04-12"],["Y0U","(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one","C18 H22 N2 O S","CC(C)(C)c1ccc(cc1)/C=C1SC(=NC1=O)N1CCCC1;CC(C)(C)c1ccc(cc1)C=C2SC(=NC2=O)N3CCCC3;CC(C)(C)c1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCC3","InChI=1S/C18H22N2OS/c1-18(2,3)14-8-6-13(7-9-14)12-15-16(21)19-17(22-15)20-10-4-5-11-20/h6-9,12H,4-5,10-11H2,1-3H3","","2023-06-09","2024-12-13","(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one","2024-12-18"],["A1I2U","(2~{S})-~{N}-methylpiperidine-2-carboxamide","C7 H14 N2 O","CNC(=O)[CH]1CCCCN1;CNC(=O)C1CCCCN1","InChI=1S/C7H14N2O/c1-8-7(10)6-4-2-3-5-9-6/h6,9H,2-5H2,1H3,(H,8,10)/t6-/m0/s1","","2025-02-17","2026-01-16","(2~{S})-~{N}-methylpiperidine-2-carboxamide","2026-01-21"],["L2A","(2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid","C30 H51 N5 O8","O=C(O)C1(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)(C)CCCC=CCCC1)CC(=O)O)CC(C)C)CC(C)C)C;CC(C)C[CH]1NC(=O)[CH](CC(O)=O)NC(=O)[C](C)(N)CCCC=CCCC[C](C)(NC(=O)[CH](CC(C)C)NC1=O)C(O)=O;CC(C)CC1C(=O)NC(CCCC=CCCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O","InChI=1S/C30H51N5O8/c1-18(2)15-20-24(38)33-21(16-19(3)4)26(40)35-30(6,28(42)43)14-12-10-8-7-9-11-13-29(5,31)27(41)34-22(17-23(36)37)25(39)32-20/h7-8,18-22H,9-17,31H2,1-6H3,(H,32,39)(H,33,38)(H,34,41)(H,35,40)(H,36,37)(H,42,43)/b8-7+/t20-,21-,22-,29-,30-/m0/s1","","2008-03-20","2011-06-04","(2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid",""],["Y0V","2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid","C11 H7 I2 N O3","OC(=O)c1cc(I)c(n2cccc2)c(I)c1O;c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I","InChI=1S/C11H7I2NO3/c12-7-5-6(11(16)17)10(15)8(13)9(7)14-3-1-2-4-14/h1-5,15H,(H,16,17)","","2015-09-11","2015-12-11","3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-benzoic acid","2015-12-16"],["A1I2W","(3~{R},5~{S})-3-ethyl-1,2-oxazolidine-5-carboxylic acid","C6 H11 N O3","CC[CH]1C[CH](ON1)C(O)=O;CCC1CC(ON1)C(=O)O","InChI=1S/C6H11NO3/c1-2-4-3-5(6(8)9)10-7-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1","","2025-02-17","2026-01-16","(3~{R},5~{S})-3-ethyl-1,2-oxazolidine-5-carboxylic acid","2026-01-21"],["L2B","3'-DEOXYURIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O8 P","O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O","InChI=1S/C9H13N2O8P/c12-6-3-5(4-18-20(15,16)17)19-8(6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2019-07-16","2020-11-13","[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2020-11-18"],["L2C","(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE","C24 H46 O5","O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC;CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC","InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-15-16-18-23(26)28-21-22(20-25)29-24(27)19-17-14-10-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1","","2006-07-31","2011-06-04","(2S)-3-hydroxy-2-(nonanoyloxy)propyl dodecanoate",""],["Y0W","2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole","C12 H12 F3 N3","FC(F)(F)c1cc2nc([NH]c2cc1)C1CCNC1;FC(F)(F)c1ccc2[nH]c(nc2c1)[CH]3CCNC3;c1cc2c(cc1C(F)(F)F)nc([nH]2)C3CCNC3","InChI=1S/C12H12F3N3/c13-12(14,15)8-1-2-9-10(5-8)18-11(17-9)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2,(H,17,18)/t7-/m0/s1","","2023-11-14","2024-02-09","2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole","2024-02-14"],["A1I2Z","2-methyl-4-(trifluoromethyl)-1~{H}-imidazole","C5 H5 F3 N2","Cc1[nH]cc(n1)C(F)(F)F;Cc1[nH]cc(n1)C(F)(F)F","InChI=1S/C5H5F3N2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H3,(H,9,10)","","2025-02-17","2026-01-16","2-methyl-4-(trifluoromethyl)-1~{H}-imidazole","2026-01-21"],["Y0X","6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)","C34 H28 N6 O16 S4","O=S(=O)(O)c6c5ccc(/N=N/c1ccc(cc1OC)c4ccc(/N=N/c3ccc2c(cc(c(c2c3O)N)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4)c(O)c5c(N)c(c6)S(=O)(=O)O;COc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)[S](O)(=O)=O)[S](O)(=O)=O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)[S](O)(=O)=O)[S](O)(=O)=O)c(OC)c4;COc1cc(ccc1N=Nc2ccc3c(cc(c(c3c2O)N)S(=O)(=O)O)S(=O)(=O)O)c4ccc(c(c4)OC)N=Nc5ccc6c(cc(c(c6c5O)N)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+","","2011-10-06","2012-07-13","6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)",""],["A1I3A","(3~{S})-3-azanyl-1-phenyl-pyrrolidin-2-one","C10 H12 N2 O","N[CH]1CCN(C1=O)c2ccccc2;c1ccc(cc1)N2CCC(C2=O)N","InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2/t9-/m0/s1","","2025-02-18","2026-01-16","(3~{S})-3-azanyl-1-phenyl-pyrrolidin-2-one","2026-01-21"],["L2D","{2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron","C22 H26 Fe N4 O4","O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1)C3CCCCC3N7(Cc4ccccn45)C6;O=C1CN|23Cc4ccccn4|[Fe]|5|6|2(O1)OC(=O)CN|5(Cc7ccccn|67)[CH]8CCCC[CH]38;C1CCC2C(C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5","InChI=1S/C22H28N4O4.Fe/c27-21(28)15-25(13-17-7-3-5-11-23-17)19-9-1-2-10-20(19)26(16-22(29)30)14-18-8-4-6-12-24-18;/h3-8,11-12,19-20H,1-2,9-10,13-16H2,(H,27,28)(H,29,30);/q;+2/p-2/t19-,20-;/m1./s1","Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine","2012-02-16","2021-03-13","{2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron (non-preferred name)",""],["A1I3B","(4~{R})-2,2,4-trimethylpyrrolidine","C7 H15 N","C[CH]1CNC(C)(C)C1;CC1CC(NC1)(C)C","InChI=1S/C7H15N/c1-6-4-7(2,3)8-5-6/h6,8H,4-5H2,1-3H3/t6-/m1/s1","","2025-02-18","2026-01-16","(4~{R})-2,2,4-trimethylpyrrolidine","2026-01-21"],["L2E","(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one","C25 H28 O6","O=C2c3c(O)c(c(O)cc3OC(c1ccc(O)c(O)c1)C2)CC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCc1c(O)cc2O[CH](CC(=O)c2c1O)c3ccc(O)c(O)c3;CC(=CCCC(=CCc1c(cc2c(c1O)C(=O)CC(O2)c3ccc(c(c3)O)O)O)C)C","InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1","","2013-06-13","2014-05-09","(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one","2014-05-14"],["Y0Y","4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide","C17 H19 N3 O4","N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O;COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)cc1;COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3","InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22)","","2021-01-25","2021-02-12","4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide","2021-02-17"],["L2F","N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol","C27 H31 N3 O4 S","CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34;CCC(C)C(C(=O)NC(Cc1c[nH]c2c1cccc2)CO)NS(=O)(=O)c3cccc4c3cccc4","InChI=1S/C27H31N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16,18,21,26,28,30-31H,3,15,17H2,1-2H3,(H,29,32)/t18-,21-,26-/m0/s1","(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide","2022-06-14","2024-09-27","(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide","2023-07-05"],["Y0Z","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C43 H48 N10 O17 P2","O=C(Nc1ccccc1)c1cccc(c1)CCC(=O)N1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C=2NC(=O)NC(=O)C1=2;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)CCc7cccc(c7)C(=O)Nc8ccccc8)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7cccc(c7)C(=O)Nc8ccccc8","InChI=1S/C43H48N10O17P2/c1-21-13-26-27(14-22(21)2)53(31(56)12-11-23-7-6-8-24(15-23)40(60)48-25-9-4-3-5-10-25)33-39(49-43(62)50-41(33)61)51(26)16-28(54)34(57)29(55)17-67-71(63,64)70-72(65,66)68-18-30-35(58)36(59)42(69-30)52-20-47-32-37(44)45-19-46-38(32)52/h3-10,13-15,19-20,28-30,34-36,42,54-55,57-59H,11-12,16-18H2,1-2H3,(H,48,60)(H,63,64)(H,65,66)(H2,44,45,46)(H2,49,50,61,62)/t28-,29+,30+,34-,35+,36+,42+/m0/s1","","2022-12-21","2024-06-21","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2024-06-26"],["A1I3E","3,4-dihydroisochromen-1-one","C9 H8 O2","O=C1OCCc2ccccc12;c1ccc2c(c1)CCOC2=O","InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2","","2025-02-18","2026-01-16","3,4-dihydroisochromen-1-one","2026-01-21"],["Y1","YTTRIUM ION","Y","[Y++];[Y+2]","InChI=1S/Y/q+2","","1999-11-12","2011-06-04","yttrium(+2) cation",""],["L2G","N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE","C34 H39 N9 O3","O=C(c2cc1ccccc1n2C)Nc3ccc(cc3OC)c5nn(c4ncnc(N)c45)C7CCC(N6CCN(C(=O)C)CC6)CC7;COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH]5CC[CH](CC5)N6CCN(CC6)C(C)=O)c7ncnc(N)c47;CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N","InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-","","2005-09-06","2011-06-04","N-(4-{1-[trans-4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide",""],["A1I3F","(5-chloranylpyrimidin-2-yl)methanamine","C5 H6 Cl N3","NCc1ncc(Cl)cn1;c1c(cnc(n1)CN)Cl","InChI=1S/C5H6ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2","","2025-02-18","2026-01-16","(5-chloranylpyrimidin-2-yl)methanamine","2026-01-21"],["Y10","(E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide","C21 H31 N O5","O=C(NC2Cc1ccccc1C2)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C;CO[CH]([CH](O)[CH](O)[CH](O)C=CC(C)(C)C)C(=O)NC1Cc2ccccc2C1;CC(C)(C)C=CC(C(C(C(C(=O)NC1Cc2ccccc2C1)OC)O)O)O","InChI=1S/C21H31NO5/c1-21(2,3)10-9-16(23)17(24)18(25)19(27-4)20(26)22-15-11-13-7-5-6-8-14(13)12-15/h5-10,15-19,23-25H,11-12H2,1-4H3,(H,22,26)/b10-9+/t16-,17+,18-,19-/m1/s1","","2010-11-15","2012-06-17","(2R,3R,4S,5R,6E)-N-(2,3-dihydro-1H-inden-2-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)",""],["L2H","(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.\n1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode\ncaene-10,25-dione","C32 H34 N10 O8","O=C5NC(c1nc(c(o1)C)c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4)c6nc5co6)co7)CCCCN)C)CCCCN;Cc1oc2nc1c3oc(C)c(n3)c4occ(n4)C(=O)N[CH](CCCCN)c5occ(n5)c6occ(n6)c7occ(n7)C(=O)N[CH]2CCCCN;Cc1c-2nc(o1)-c3c(oc(n3)C(NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)C(NC(=O)c7coc2n7)CCCCN)CCCCN)C","InChI=1S/C32H34N10O8/c1-15-23-31-38-20(12-48-31)26(44)35-17(7-3-5-9-33)27-39-22(13-46-27)29-40-21(14-47-29)28-37-19(11-45-28)25(43)36-18(8-4-6-10-34)30-41-24(16(2)49-30)32(42-23)50-15/h11-14,17-18H,3-10,33-34H2,1-2H3,(H,35,44)(H,36,43)/t17-,18-/m0/s1","Telomestatin derivative","2013-08-12","2020-06-17","(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione","2013-08-28"],["A1I3O","[3-(piperidin-1-ylmethyl)phenyl]methanimine","C13 H18 N2","N=Cc1cccc(CN2CCCCC2)c1;c1cc(cc(c1)C=N)CN2CCCCC2","InChI=1S/C13H18N2/c14-10-12-5-4-6-13(9-12)11-15-7-2-1-3-8-15/h4-6,9-10,14H,1-3,7-8,11H2/b14-10-","","2025-02-18","2026-01-16","[3-(piperidin-1-ylmethyl)phenyl]methanimine","2026-01-21"],["A1I3R","7-methyl-1-azaspiro[3.5]nonan-2-one","C9 H15 N O","C[CH]1CC[C]2(CC1)CC(=O)N2;CC1CCC2(CC1)CC(=O)N2","InChI=1S/C9H15NO/c1-7-2-4-9(5-3-7)6-8(11)10-9/h7H,2-6H2,1H3,(H,10,11)/t7-,9-","","2025-02-18","2026-01-16","7-methyl-1-azaspiro[3.5]nonan-2-one","2026-01-21"],["Y11","N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide","C21 H35 N5 O3","O=C(NC(C(=O)NC1(C#N)CCN(C)CC1)CC2CCCCC2)N3CCOCC3;CN1CCC(CC1)(NC(=O)[CH](CC2CCCCC2)NC(=O)N3CCOCC3)C#N;CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)NC(=O)N3CCOCC3","InChI=1S/C21H35N5O3/c1-25-9-7-21(16-22,8-10-25)24-19(27)18(15-17-5-3-2-4-6-17)23-20(28)26-11-13-29-14-12-26/h17-18H,2-15H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1","","2007-09-24","2011-06-04","N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide",""],["L2I","(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide","C16 H19 N3 O","O=C(Nc1cccnc1)C(CCNC)c1ccccc1;CNCC[CH](C(=O)Nc1cccnc1)c2ccccc2;CNCCC(c1ccccc1)C(=O)Nc2cccnc2","InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1","","2023-08-15","2023-11-03","(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide","2023-11-08"],["A1I3U","1-ethanoylpiperidine-4-carboxamide","C8 H14 N2 O2","CC(=O)N1CCC(CC1)C(N)=O;CC(=O)N1CCC(CC1)C(=O)N","InChI=1S/C8H14N2O2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)","","2025-02-18","2025-11-07","1-ethanoylpiperidine-4-carboxamide","2025-11-12"],["Y12","4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE","C21 H21 N O5","O=C(Oc1cc(ccc1OC(=O)C)C=CC(=O)NCCc2ccccc2)C;CC(=O)Oc1ccc(C=CC(=O)NCCc2ccccc2)cc1OC(C)=O;CC(=O)Oc1ccc(cc1OC(=O)C)C=CC(=O)NCCc2ccccc2","InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+","","2005-11-10","2011-06-04","4-{(1E)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}benzene-1,2-diyl diacetate",""],["L2J","N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide","C25 H23 F3 N2 O5 S","c3cc2N(c1ccccc1Oc2cc3)C4CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O;O[CH]1[CH](CCC[CH]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5ccc(OC(F)(F)F)cc5;c1ccc2c(c1)N(c3ccccc3O2)C4CCCC(C4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F","InChI=1S/C25H23F3N2O5S/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2/t18-,21+,24+/m1/s1","","2019-01-31","2020-05-01","N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide","2020-05-06"],["A1I3V","1-[(2~{S},3~{a}~{R},6~{a}~{R})-2-methyl-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-pyrrolo[3,4-b]pyrrol-1-yl]-2,2-dimethyl-propan-1-one","C12 H22 N2 O","C[CH]1C[CH]2CNC[CH]2N1C(=O)C(C)(C)C;CC1CC2CNCC2N1C(=O)C(C)(C)C","InChI=1S/C12H22N2O/c1-8-5-9-6-13-7-10(9)14(8)11(15)12(2,3)4/h8-10,13H,5-7H2,1-4H3","","2025-02-18","2025-11-07","1-[(2~{S},3~{a}~{R},6~{a}~{R})-2-methyl-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-pyrrolo[3,4-b]pyrrol-1-yl]-2,2-dimethyl-propan-1-one","2025-11-12"],["L2K","3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine","C11 H10 F2 N4","Fc1ccc(cc1F)C2=NNC3=NCCN3C2;c1cc(c(cc1C2=NNC3=NCCN3C2)F)F","InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16)","","2019-07-16","2020-04-10","3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine","2020-04-15"],["Y13","(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE","C17 H17 N O4","O=C(NCCc1ccc(O)cc1)C=Cc2cc(O)c(O)cc2;Oc1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)cc1;c1cc(ccc1CCNC(=O)C=Cc2ccc(c(c2)O)O)O","InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+","","2005-11-10","2011-06-04","(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide",""],["L2L","aminomethanesulfonic acid","C H5 N O3 S","NCS(=O)(=O)O;NC[S](O)(=O)=O;C(N)S(=O)(=O)O","InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)","","2022-02-25","2023-02-24","aminomethanesulfonic acid","2023-03-01"],["A1I3Y","(1,1-dimethyl-3,4-dihydroisochromen-6-yl)-[4-(3-phenyl-1~{H}-1,2,4-triazol-5-yl)piperidin-1-yl]methanone","C25 H28 N4 O2","CC1(C)OCCc2cc(ccc12)C(=O)N3CCC(CC3)c4[nH]nc(n4)c5ccccc5;CC1(c2ccc(cc2CCO1)C(=O)N3CCC(CC3)c4[nH]nc(n4)c5ccccc5)C","InChI=1S/C25H28N4O2/c1-25(2)21-9-8-20(16-19(21)12-15-31-25)24(30)29-13-10-18(11-14-29)23-26-22(27-28-23)17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,26,27,28)","","2025-02-19","2026-02-27","(1,1-dimethyl-3,4-dihydroisochromen-6-yl)-[4-(3-phenyl-1~{H}-1,2,4-triazol-5-yl)piperidin-1-yl]methanone","2026-03-04"],["Y14","N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide","C26 H37 N5 O3","O=C(NC(C(=O)NC2(C#N)CCN(Cc1ccccc1)C2)CC3CCCCC3)N4CCOCC4;O=C(N[C]1(CCN(Cc2ccccc2)C1)C#N)[CH](CC3CCCCC3)NC(=O)N4CCOCC4;c1ccc(cc1)CN2CCC(C2)(C#N)NC(=O)C(CC3CCCCC3)NC(=O)N4CCOCC4","InChI=1S/C26H37N5O3/c27-19-26(11-12-30(20-26)18-22-9-5-2-6-10-22)29-24(32)23(17-21-7-3-1-4-8-21)28-25(33)31-13-15-34-16-14-31/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,28,33)(H,29,32)/t23-,26+/m0/s1","","2007-09-24","2011-06-04","N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide",""],["A1I3Z","[3-[4-(methylsulfanylmethyl)-1,2,3-triazol-1-yl]phenyl]-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]methanone","C24 H25 N7 O S","CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[nH]c(nn4)c5ccccc5;CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[nH]c(nn4)c5ccccc5","InChI=1S/C24H25N7OS/c1-33-16-20-15-31(29-26-20)21-9-5-8-19(14-21)24(32)30-12-10-18(11-13-30)23-25-22(27-28-23)17-6-3-2-4-7-17/h2-9,14-15,18H,10-13,16H2,1H3,(H,25,27,28)","","2025-02-19","2026-02-27","[3-[4-(methylsulfanylmethyl)-1,2,3-triazol-1-yl]phenyl]-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]methanone","2026-03-04"],["L2M","{(R)-N-[(1S,2S)-2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}cyclohexyl]-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)","C21 H27 Fe N4 O2","O=C2O[Fe+2]576n1ccccc1CN7(C2)C3CCCCC3N6(C)Cc4ccccn45;CN12|[Fe++]|3|4(OC(=O)CN|3(Cc5ccccn|45)[CH]6CCCC[CH]16)|n7ccccc7C2;C[N]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N]4(CC(=O)O5)C7C2CCCC7","InChI=1S/C21H28N4O2.Fe/c1-24(14-17-8-4-6-12-22-17)19-10-2-3-11-20(19)25(16-21(26)27)15-18-9-5-7-13-23-18;/h4-9,12-13,19-20H,2-3,10-11,14-16H2,1H3,(H,26,27);/q;+3/p-1/t19-,20-;/m0./s1","","2012-03-26","2012-05-04","{(R)-N-[(1S,2S)-2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}cyclohexyl]-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)",""],["Y15","N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide","C25 H36 N4 O4","O=C(NC(C(=O)NC(C#N)(C)COCc1ccccc1)CC2CCCCC2)N3CCOCC3;C[C](COCc1ccccc1)(NC(=O)[CH](CC2CCCCC2)NC(=O)N3CCOCC3)C#N;CC(COCc1ccccc1)(C#N)NC(=O)C(CC2CCCCC2)NC(=O)N3CCOCC3","InChI=1S/C25H36N4O4/c1-25(18-26,19-33-17-21-10-6-3-7-11-21)28-23(30)22(16-20-8-4-2-5-9-20)27-24(31)29-12-14-32-15-13-29/h3,6-7,10-11,20,22H,2,4-5,8-9,12-17,19H2,1H3,(H,27,31)(H,28,30)/t22-,25+/m0/s1","","2007-09-24","2011-06-04","N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide",""],["Y16","(E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide","C14 H26 N2 O6","O=C(NCC(=O)N)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C;CO[CH]([CH](O)[CH](O)[CH](O)C=CC(C)(C)C)C(=O)NCC(N)=O;CC(C)(C)C=CC(C(C(C(C(=O)NCC(=O)N)OC)O)O)O","InChI=1S/C14H26N2O6/c1-14(2,3)6-5-8(17)10(19)11(20)12(22-4)13(21)16-7-9(15)18/h5-6,8,10-12,17,19-20H,7H2,1-4H3,(H2,15,18)(H,16,21)/b6-5+/t8-,10+,11-,12-/m1/s1","","2010-11-15","2012-06-17","(2R,3R,4S,5R,6E)-N-(2-amino-2-oxoethyl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)",""],["L2N","~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C23 H30 N4 O5 S","COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCN(C)CC4;Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O","InChI=1S/C23H30N4O5S/c1-15-21-17(6-4-5-7-19(21)28)22(24-15)23(29)25-18-14-16(8-9-20(18)32-3)33(30,31)27-12-10-26(2)11-13-27/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29)","","2019-07-16","2020-12-04","~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["A1I48","(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanal","C10 H22 N2 O4","CC(C)C[CH](N)[CH](O)O[CH](C)[CH](N)C(O)=O;CC(C)CC(C(O)OC(C)C(C(=O)O)N)N","InChI=1S/C10H22N2O4/c1-5(2)4-7(11)10(15)16-6(3)8(12)9(13)14/h5-8,10,15H,4,11-12H2,1-3H3,(H,13,14)/t6-,7+,8+,10-/m1/s1","","2025-03-03","2025-10-03","(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanoic acid","2025-10-08"],["L2O","(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid","C7 H15 N O3","O=C(O)C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C(O)=O;CC(C)CC(C(C(=O)O)O)N","InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1","","2010-10-09","2024-09-27","(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid",""],["Y17","5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one","C18 H21 N3 O2","CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O;CN1C[CH](CCn2c3CCNC(=O)c3c4ccccc24)CC1=O;CN1CC(CC1=O)CCn2c3ccccc3c4c2CCNC4=O","InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1","","2019-07-12","2019-11-22","5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one","2019-11-27"],["L2P","2,3-DI-PHYTANYL-GLYCEROL","C43 H88 O3","OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1","1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL","1999-09-22","2024-09-27","(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol",""],["Y18","5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one","C17 H19 N3 O2","C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4;CN1C[CH](Cn2c3CCNC(=O)c3c4ccccc24)CC1=O;CN1CC(CC1=O)Cn2c3ccccc3c4c2CCNC4=O","InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1","","2019-07-12","2019-11-22","5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one","2019-11-27"],["A1I4E","(3~{R})-~{N}-(cyclobutylmethyl)-1-[6-[3-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]oxetan-3-yl]pyridin-3-yl]piperidin-3-amine","C26 H33 N7 O2","COc1cncc(c1)c2cn(nn2)C3(COC3)c4ccc(cn4)N5CCC[CH](C5)NCC6CCC6;COc1cc(cnc1)c2cn(nn2)C3(COC3)c4ccc(cn4)N5CCCC(C5)NCC6CCC6","InChI=1S/C26H33N7O2/c1-34-23-10-20(12-27-14-23)24-16-33(31-30-24)26(17-35-18-26)25-8-7-22(13-29-25)32-9-3-6-21(15-32)28-11-19-4-2-5-19/h7-8,10,12-14,16,19,21,28H,2-6,9,11,15,17-18H2,1H3/t21-/m1/s1","","2025-02-20","2026-04-17","(3~{R})-~{N}-(cyclobutylmethyl)-1-[6-[3-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]oxetan-3-yl]pyridin-3-yl]piperidin-3-amine","2026-04-22"],["Y19","1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol","C12 H20 N4 O7","O=C1NC(=O)N=C(NCC(O)C(O)C(O)CO)C1NC(=O)CC;CCC(=O)N[CH]1C(=O)NC(=O)N=C1NC[CH](O)[CH](O)[CH](O)CO;CCC(=O)NC1C(=O)NC(=O)N=C1NCC(C(C(CO)O)O)O","InChI=1S/C12H20N4O7/c1-2-7(20)14-8-10(15-12(23)16-11(8)22)13-3-5(18)9(21)6(19)4-17/h5-6,8-9,17-19,21H,2-4H2,1H3,(H,14,20)(H2,13,15,16,22,23)/t5-,6+,8-,9-/m0/s1","","2007-11-27","2011-06-04","1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol",""],["L2Q","[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate","C40 H54 N2 O8","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]3CCC(=O)[CH]4CCCC[CH]34)c5cccc(OCCN6CCOCC6)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)C5CCC(=O)C6C5CCCC6","InChI=1S/C40H54N2O8/c1-46-37-18-14-28(26-38(37)47-2)13-17-36(29-8-7-9-30(27-29)49-25-22-41-20-23-48-24-21-41)50-40(45)34-12-5-6-19-42(34)39(44)33-15-16-35(43)32-11-4-3-10-31(32)33/h7-9,14,18,26-27,31-34,36H,3-6,10-13,15-17,19-25H2,1-2H3/t31-,32-,33-,34+,36-/m1/s1","","2019-07-16","2019-12-13","[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate","2019-12-18"],["L2R","(2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid","C21 H24 N8 O2 S","OC(=O)[CH](CCCN1C(=S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)Cc4c[nH]cn4;c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3c[nH]cn3)Cc4c[nH]cn4","InChI=1S/C21H24N8O2S/c30-20(31)18(28(11-16-9-22-13-24-16)12-17-10-23-14-25-17)7-4-8-29-19(26-27-21(29)32)15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,(H,22,24)(H,23,25)(H,27,32)(H,30,31)/t18-/m0/s1","","2022-06-14","2023-04-21","(2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid","2023-04-26"],["A1I4Q","(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione","C14 H16 N2 O2","O=C1CC[CH](N2CCCc3ccccc23)C(=O)N1;c1ccc2c(c1)CCCN2C3CCC(=O)NC3=O","InChI=1S/C14H16N2O2/c17-13-8-7-12(14(18)15-13)16-9-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12H,3,5,7-9H2,(H,15,17,18)/t12-/m0/s1","","2025-02-26","2025-10-24","(3~{S})-3-(3,4-dihydro-2~{H}-quinolin-1-yl)piperidine-2,6-dione","2025-10-29"],["Y1A","4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide","C13 H19 N3 O3","N2(CCN(C(=O)c1ccco1)CC2)C(NC(C)C)=O;CC(C)NC(=O)N1CCN(CC1)C(=O)c2occc2;CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2","InChI=1S/C13H19N3O3/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)","","2021-01-25","2021-02-12","4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide","2021-02-17"],["L2S","1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine","C14 H19 N O S","O=C(N1CCCCC1)CSc2ccc(cc2)C;Cc1ccc(SCC(=O)N2CCCCC2)cc1;Cc1ccc(cc1)SCC(=O)N2CCCCC2","InChI=1S/C14H19NOS/c1-12-5-7-13(8-6-12)17-11-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3","","2010-08-31","2011-06-04","2-[(4-methylphenyl)sulfanyl]-1-(piperidin-1-yl)ethanone",""],["Y1B","3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid","C25 H25 F4 N5 O3 S","O=C(O)c1ccc(SC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCC(CC3)Sc4ccc(cc4F)C(O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)Sc4ccc(cc4F)C(=O)O)C(F)(F)F","InChI=1S/C25H25F4N5O3S/c1-15-30-32-34(31-15)14-18-12-19(25(27,28)29)5-2-16(18)4-7-23(35)33-10-8-20(9-11-33)38-22-6-3-17(24(36)37)13-21(22)26/h2-3,5-6,12-13,20H,4,7-11,14H2,1H3,(H,36,37)","","2023-06-09","2024-12-13","3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid","2024-12-18"],["A1I4U","Deoxynivalenol-13-glutathione","C25 H37 N3 O12 S","CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]3(O)CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[C]24CO[C]1(O)[CH]4O;CC1=CC2C3(COC1(C3O)O)C4(CC(C(C4(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O2)O)C","InChI=1S/C25H37N3O12S/c1-11-5-15-23(9-39-25(11,38)21(23)36)22(2)6-14(29)18(40-15)24(22,37)10-41-8-13(19(33)27-7-17(31)32)28-16(30)4-3-12(26)20(34)35/h5,12-15,18,21,29,36-38H,3-4,6-10,26H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t12-,13-,14+,15+,18+,21-,22+,23+,24-,25+/m0/s1","","2025-02-26","2025-08-22","","2025-08-27"],["L2T","4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide","C36 H39 N3 O5","O=C(NCc1ccccc1C)C(NC(=O)C(NC(=O)c3ccc(OCc2ccccc2)cc3)C(O)C)CCc4ccccc4;C[CH](O)[CH](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccccc4C;Cc1ccccc1CNC(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC(=O)c3ccc(cc3)OCc4ccccc4","InChI=1S/C36H39N3O5/c1-25-11-9-10-16-30(25)23-37-35(42)32(22-17-27-12-5-3-6-13-27)38-36(43)33(26(2)40)39-34(41)29-18-20-31(21-19-29)44-24-28-14-7-4-8-15-28/h3-16,18-21,26,32-33,40H,17,22-24H2,1-2H3,(H,37,42)(H,38,43)(H,39,41)/t26-,32+,33+/m1/s1","","2010-10-19","2011-06-04","4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-({(2S)-1-[(2-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxobutan-2-yl]benzamide",""],["Y1C","4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one","C6 H7 Br2 N3 O","O=C(C)CCn1nc(Br)c(Br)n1;CC(=O)CCn1nc(Br)c(Br)n1;CC(=O)CCn1nc(c(n1)Br)Br","InChI=1S/C6H7Br2N3O/c1-4(12)2-3-11-9-5(7)6(8)10-11/h2-3H2,1H3","","2023-11-14","2024-02-09","4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one","2024-02-14"],["Y1D","N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C16 H15 F2 N3 O3","N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O;Fc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)c(F)c1;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F","InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)","","2021-01-25","2021-02-12","N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["A1I4V","~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide","C9 H10 Cl N O","CC(=O)Nc1ccc(C)c(Cl)c1;Cc1ccc(cc1Cl)NC(=O)C","InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)","","2025-02-26","2025-10-17","~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide","2025-10-22"],["L2U","(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid","C41 H57 N9 O13 S","CC(C)C[CH](NC(=O)[CH]1C[CH](N)CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH](CCC(O)=O)C(=O)NCCCCC(N)=O;CC(C)CC(C(=O)N(C)C(CCC(=O)O)C(=O)NCCCCC(=O)N)NC(=O)C1CC(CN1C(=O)CCC(C(=O)O)NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)N)N","InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1","","2022-11-08","2023-01-13","(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid","2023-01-18"],["A1I4Y","(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(furan-2-yl)propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide","C27 H37 N5 O4","CNC(=O)[CH](Cc1ccncc1)NC(=O)[CH]2C[CH](CN2C(=O)C[CH](N)c3occc3)C4CCCCC4;CNC(=O)C(Cc1ccncc1)NC(=O)C2CC(CN2C(=O)CC(c3ccco3)N)C4CCCCC4","InChI=1S/C27H37N5O4/c1-29-26(34)22(14-18-9-11-30-12-10-18)31-27(35)23-15-20(19-6-3-2-4-7-19)17-32(23)25(33)16-21(28)24-8-5-13-36-24/h5,8-13,19-23H,2-4,6-7,14-17,28H2,1H3,(H,29,34)(H,31,35)/t20-,21+,22+,23+/m1/s1","","2025-02-27","2025-10-03","(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(furan-2-yl)propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide","2025-10-08"],["Y1E","N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide","C30 H27 N3 O2","CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1;C[CH](NC(=O)[CH](N(C(=O)C=C)c1ccc(cc1)c2ccccc2)c3cccnc3)c4ccccc4;CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)C=C","InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29-/m0/s1","","2022-12-21","2024-09-27","N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide","2023-08-09"],["L2V","N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide","C32 H28 N6 O2","CCNC(=O)[CH](Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4;CCNC(=O)C(Cc1cccc(c1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C","InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-11-13-27-29(19-25)37-21(3)20(2)36-27)18-24-7-5-6-22(16-24)8-9-23-10-12-26-28(17-23)35-15-14-34-26/h5-7,10-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1","","2023-08-21","2023-09-01","~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide","2023-09-06"],["A1I4Z","4-[[[4-imidazol-1-yl-3-[1-[(4-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]phenyl]methylamino]methyl]-~{N}-methyl-benzamide","C31 H32 N6 O2","CNC(=O)c1ccc(CNCc2ccc(n3ccnc3)c(c2)c4cn(Cc5ccc(OC)cc5)nc4C)cc1;Cc1c(cn(n1)Cc2ccc(cc2)OC)c3cc(ccc3n4ccnc4)CNCc5ccc(cc5)C(=O)NC","InChI=1S/C31H32N6O2/c1-22-29(20-37(35-22)19-24-6-11-27(39-3)12-7-24)28-16-25(8-13-30(28)36-15-14-33-21-36)18-34-17-23-4-9-26(10-5-23)31(38)32-2/h4-16,20-21,34H,17-19H2,1-3H3,(H,32,38)","","2025-02-27","2025-10-03","4-[[[4-imidazol-1-yl-3-[1-[(4-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]phenyl]methylamino]methyl]-~{N}-methyl-benzamide","2025-10-08"],["Y1F","[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone","C30 H36 N6 O4","O=C(c1ccc2[NH]nnc2c1)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;O=C(N1CC[CH]2CN(C[CH]2CC1)C(=O)c3ccc4[nH]nnc4c3)c5cc(OCC6CCOCC6)nc(c5)C7CC7;c1cc2c(cc1C(=O)N3CC4CCN(CCC4C3)C(=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7)nn[nH]2","InChI=1S/C30H36N6O4/c37-29(21-3-4-25-27(13-21)33-34-32-25)36-16-22-5-9-35(10-6-23(22)17-36)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20,22-23H,1-2,5-12,16-18H2,(H,32,33,34)","","2023-06-09","2024-12-13","[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone","2024-12-18"],["L2W","~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C23 H29 N3 O5 S","COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCC4;Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O","InChI=1S/C23H29N3O5S/c1-15-21-17(8-4-5-9-19(21)27)22(24-15)23(28)25-18-14-16(10-11-20(18)31-2)32(29,30)26-12-6-3-7-13-26/h10-11,14,24H,3-9,12-13H2,1-2H3,(H,25,28)","","2019-07-17","2020-12-04","~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["L2X","(2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide","C28 H29 N3 O5","Oc1ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccccc3)C(=O)NCc4ccccc4)cc1;c1ccc(cc1)CC(C(=O)NCc2ccccc2)NC(=O)C3C(O3)C(=O)NCCc4ccc(cc4)O","InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1","(2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide","2022-06-14","2023-06-30","(2~{S},3~{S})-~{N}3-[2-(4-hydroxyphenyl)ethyl]-~{N}2-[(2~{S})-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide","2023-07-05"],["Y1G","(6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid","C16 H11 Br O3","c1c(Br)cc2c(c1)c(c(o2)c3ccccc3)CC(O)=O;OC(=O)Cc1c(oc2cc(Br)ccc12)c3ccccc3;c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O","InChI=1S/C16H11BrO3/c17-11-6-7-12-13(9-15(18)19)16(20-14(12)8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)","","2021-01-26","2021-08-06","(6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid","2021-08-11"],["A1I56","5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","C12 H11 N3 O3 S","COc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1;COc1cccc(c1)NC=C2C(=O)NC(=S)NC2=O","InChI=1S/C12H11N3O3S/c1-18-8-4-2-3-7(5-8)13-6-9-10(16)14-12(19)15-11(9)17/h2-6,13H,1H3,(H2,14,15,16,17,19)","","2025-03-13","2025-07-04","5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","2025-07-09"],["A1I59","[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[(1~{S})-1-azanyl-3,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C12 H21 N4 O10 P","N[CH](CC(O)O)C1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N=C1N;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(CC(O)O)N","InChI=1S/C12H21N4O10P/c13-5(1-7(17)18)4-2-16(12(21)15-10(4)14)11-9(20)8(19)6(26-11)3-25-27(22,23)24/h2,5-9,11,17-20H,1,3,13H2,(H2,14,15,21)(H2,22,23,24)/t5-,6+,8+,9+,11+/m0/s1","","2025-03-17","2025-10-31","[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[(1~{S})-1-azanyl-3,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2025-11-05"],["Y1H","(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol","C9 H9 F O3","Fc1cc2COCOc2c(c1)CO;OCc1cc(F)cc2COCOc12;c1c(cc(c2c1COCO2)CO)F","InChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2","","2023-11-14","2024-02-09","(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol","2024-02-14"],["L2Y","(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride","C7 H16 F N2 O P","CCN(CC)C(C)=NP(C)(=O)F;CCN(CC)C(C)=N[P](C)(F)=O;CCN(CC)C(=NP(=O)(C)F)C","InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1","A-230 (Nerve agent)","2019-02-01","2024-09-27","(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride","2020-07-01"],["L2Z","~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C23 H27 N3 O6 S","COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4;Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O","InChI=1S/C23H27N3O6S/c1-14-20-16(5-3-4-6-18(20)27)21(24-14)22(28)25-17-9-15(7-8-19(17)31-2)33(29,30)26-10-23(11-26)12-32-13-23/h7-9,24H,3-6,10-13H2,1-2H3,(H,25,28)","","2019-07-17","2020-12-11","~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-16"],["A1I5A","quinaprilat","C23 H26 N2 O5","C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[CH]2C(O)=O;CC(C(=O)N1Cc2ccccc2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O","InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1","(3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid","2025-03-03","2025-08-29","(3~{S})-2-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid","2025-09-03"],["Y1J","N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C14 H19 N3 O3","N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O;O=C(NCC1CC1)N2CCN(CC2)C(=O)c3occc3;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3","InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)","","2021-01-26","2021-02-12","N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["Y1K","4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one","C23 H23 Cl F N5 O4","O=C1CN(CCN1C)C(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1;CN1CCN(CC1=O)C(=O)c2ccc(F)c(c2)c3cc(Cl)c(C)cc3OCC4=NNC(=O)N4C;Cc1cc(c(cc1Cl)c2cc(ccc2F)C(=O)N3CCN(C(=O)C3)C)OCC4=NNC(=O)N4C","InChI=1S/C23H23ClFN5O4/c1-13-8-19(34-12-20-26-27-23(33)29(20)3)16(10-17(13)24)15-9-14(4-5-18(15)25)22(32)30-7-6-28(2)21(31)11-30/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,27,33)","","2023-06-09","2024-12-13","4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one","2024-12-18"],["L30","N-(naphthalen-1-yl)pyridine-3-carboxamide","C16 H12 N2 O","O=C(Nc1cccc2ccccc21)c1cccnc1;O=C(Nc1cccc2ccccc12)c3cccnc3;c1ccc2c(c1)cccc2NC(=O)c3cccnc3","InChI=1S/C16H12N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)","","2021-10-08","2021-10-15","N-(naphthalen-1-yl)pyridine-3-carboxamide","2021-10-20"],["L31","3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol","C20 H20 N2 O2","O=C(N4CCc2c1cc(ccc1nc2C4c3cccc(O)c3)C)C;CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[CH]1c4cccc(O)c4;Cc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C)c4cccc(c4)O","InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3/t20-/m1/s1","","2009-10-05","2011-06-04","1-[(1R)-1-(3-hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethanone",""],["A1I5I","2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid","C5 H7 N3 O2 S","Cn1cnnc1SCC(O)=O;Cn1cnnc1SCC(=O)O","InChI=1S/C5H7N3O2S/c1-8-3-6-7-5(8)11-2-4(9)10/h3H,2H2,1H3,(H,9,10)","","2025-03-05","2026-01-09","2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid","2026-01-14"],["Y1L","(5-chloro-1-benzothiophen-3-yl)methanol","C9 H7 Cl O S","Clc1cc2c(cc1)scc2CO;OCc1csc2ccc(Cl)cc12;c1cc2c(cc1Cl)c(cs2)CO","InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2","","2023-11-14","2024-02-09","(5-chloro-1-benzothiophen-3-yl)methanol","2024-02-14"],["L32","{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid","C15 H9 Br2 N O3","Brc3ccc2c1ccc(cc1C(c2c3)=N/OCC(O)=O)Br;OC(=O)CON=C1c2cc(Br)ccc2c3ccc(Br)cc13;c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br","InChI=1S/C15H9Br2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20)","","2015-09-30","2016-03-18","{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid","2016-03-23"],["Y1M","N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide","C15 H21 N3 O3 S","N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O;O=C(NCC1=[SH]CCC1)N2CCN(CC2)C(=O)c3occc3;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3","InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20)","","2021-01-26","2021-02-12","N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["Y1N","2-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid","C24 H24 N2 O4","O=C(O)C(Oc1ccc(cc1)CCOc3ccc(/N=N/c2ccccc2)cc3)(C)C;CC(C)(Oc1ccc(CCOc2ccc(cc2)N=Nc3ccccc3)cc1)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)N=Nc3ccccc3","InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+","","2013-12-05","2014-12-19","2-methyl-2-[4-(2-{4-[(E)-phenyldiazenyl]phenoxy}ethyl)phenoxy]propanoic acid","2014-12-24"],["L33","4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","C20 H27 N3 O4 S","c1cc(cc(c1)NC(c2c(c(C(C)=O)c(n2)C)CC)=O)S(N(CC)CC)(=O)=O;CCN(CC)[S](=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1;CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C","InChI=1S/C20H27N3O4S/c1-6-17-18(14(5)24)13(4)21-19(17)20(25)22-15-10-9-11-16(12-15)28(26,27)23(7-2)8-3/h9-12,21H,6-8H2,1-5H3,(H,22,25)","","2015-08-07","2016-01-15","4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","2016-01-20"],["A1I5U","6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one","C5 H4 N4 O S","O=C1NC(=S)Nc2[nH]ncc12;c1c2c([nH]n1)NC(=S)NC2=O","InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)","","2025-03-11","2025-07-04","6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one","2025-07-09"],["Y1O","methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C22 H25 Cl F N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OC)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)N(C(=O)OC)c2c1;CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=O)OC","InChI=1S/C22H25ClFN7O4/c1-27-9-11-3-5-13-16(7-11)31(22(34)35-2)17(10-28-21(25)26)18(13)30-20(33)19(32)29-12-4-6-14(23)15(24)8-12/h3-8,17-18,27H,9-10H2,1-2H3,(H,29,32)(H,30,33)(H4,25,26,28)/t17-,18+/m1/s1","","2022-12-27","2023-03-31","methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["L34","4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI\nC ACID","C20 H21 N7 O7","O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O;Nc1nc(O)c2N3[CH](CNc2n1)CN(C3=O)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNc4c(c(nc(n4)N)O)N3C2=O","InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1","LY345899","1999-12-15","2020-06-17","N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid",""],["A1I5V","3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","C6 H7 N5","Cc1n[nH]c2ncnc(N)c12;Cc1c2c(ncnc2[nH]n1)N","InChI=1S/C6H7N5/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H3,7,8,9,10,11)","","2025-03-11","2025-11-28","3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","2025-12-03"],["L35","2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID","C17 H16 Cl2 N2 O4","Clc2cc(NC(=O)Nc1ccc(OC(C(=O)O)(C)C)cc1)cc(Cl)c2;CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl","InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)","","2005-11-16","2011-06-04","2-(4-{[(3,5-dichlorophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acid",""],["A1I5Y","(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione","C28 H41 N O7","COc1cc2cc(OC)c1OCCCOC[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4;CC1COCCCOc2c(cc(cc2OC)C(C(=O)N3CCCCC3C(=O)O1)C4CCCCC4)OC","InChI=1S/C28H41NO7/c1-19-18-34-14-9-15-35-26-23(32-2)16-21(17-24(26)33-3)25(20-10-5-4-6-11-20)27(30)29-13-8-7-12-22(29)28(31)36-19/h16-17,19-20,22,25H,4-15,18H2,1-3H3/t19-,22+,25+/m1/s1","","2025-03-12","2025-11-28","(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione","2025-12-03"],["Y1P","4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide","C13 H19 N3 O4","N2(CCN(C(=O)c1ccco1)CC2)C(NCCOC)=O;COCCNC(=O)N1CCN(CC1)C(=O)c2occc2;COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2","InChI=1S/C13H19N3O4/c1-19-10-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-9-20-11/h2-3,9H,4-8,10H2,1H3,(H,14,18)","","2021-01-26","2021-02-12","4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide","2021-02-17"],["A1I5Z","6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one","C19 H30 N6 O2","CCOc1nc(N)nc2N(CCC3CNC3)N(C4CCCCCC4)C(=O)c12;CCOc1c2c(nc(n1)N)N(N(C2=O)C3CCCCCC3)CCC4CNC4","InChI=1S/C19H30N6O2/c1-2-27-17-15-16(22-19(20)23-17)24(10-9-13-11-21-12-13)25(18(15)26)14-7-5-3-4-6-8-14/h13-14,21H,2-12H2,1H3,(H2,20,22,23)","","2025-03-12","2025-08-08","6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one","2025-08-13"],["L36","ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate","C15 H23 N3 O3","CCCN(Cc1ccc(N)cc1)C(=O)NCC(=O)OCC;CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC","InChI=1S/C15H23N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h5-8H,3-4,9-11,16H2,1-2H3,(H,17,20)","","2018-05-16","2018-11-02","ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate","2018-11-07"],["Y1Q","N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide","C22 H25 F3 N6 O4 S","NS(=O)(=O)c1ccc(cc1)OCCN(C)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;CN(CCOc1ccc(cc1)[S](N)(=O)=O)C(=O)CCc2ccc(cc2Cn3nnc(C)n3)C(F)(F)F;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N(C)CCOc3ccc(cc3)S(=O)(=O)N)C(F)(F)F","InChI=1S/C22H25F3N6O4S/c1-15-27-29-31(28-15)14-17-13-18(22(23,24)25)5-3-16(17)4-10-21(32)30(2)11-12-35-19-6-8-20(9-7-19)36(26,33)34/h3,5-9,13H,4,10-12,14H2,1-2H3,(H2,26,33,34)","","2023-06-09","2024-12-13","N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide","2024-12-18"],["L37","[[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID","C17 H19 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(nc(O)c2N)N)CCC(=O)O;Nc1nc(O)c(N)c(NC(=O)Nc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)n1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N","InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1","LY374571","1999-12-15","2021-03-01","N-[(4-{[(2,5-diamino-6-hydroxypyrimidin-4-yl)carbamoyl]amino}phenyl)carbonyl]-L-glutamic acid",""],["Y1R","(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol","C5 H8 N2 O","CC(O)c1ccn[NH]1;C[CH](O)c1[nH]ncc1;CC(c1ccn[nH]1)O","InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)/t4-/m0/s1","","2023-11-14","2024-02-09","(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol","2024-02-14"],["L39","(3beta,9beta,25R)-3-hydroxy-26-iodocholest-5-ene-16,22-dione","C27 H41 I O3","ICC(C)CCC(=O)C(C1C(=O)CC2C1(C)CCC3C2CC=C4C3(CCC(O)C4)C)C;C[CH](CI)CCC(=O)[CH](C)[CH]1C(=O)C[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)C(C)C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)CI","InChI=1S/C27H41IO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,29H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,25+,26+,27+/m1/s1","","2012-05-22","2013-05-10","(3beta,9beta,25R)-3-hydroxy-26-iodocholest-5-ene-16,22-dione","2013-05-15"],["Y1S","4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","C12 H14 F3 N3 O3","N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O;FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2occc2;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F","InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20)","","2021-01-26","2021-02-12","4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","2021-02-17"],["L3A","(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid","C9 H20 N O4 P","O=P(O)(C(N)CC(C)C)CC(C(=O)O)C;CC(C)C[CH](N)[P](O)(=O)C[CH](C)C(O)=O;CC(C)CC(N)P(=O)(CC(C)C(=O)O)O","InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1","L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE","2010-06-18","2021-03-01","(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid",""],["A1I6E","2-(methylamino)pyridine-3-carboxamide","C7 H9 N3 O","CNc1ncccc1C(N)=O;CNc1c(cccn1)C(=O)N","InChI=1S/C7H9N3O/c1-9-7-5(6(8)11)3-2-4-10-7/h2-4H,1H3,(H2,8,11)(H,9,10)","","2025-03-18","2025-07-04","2-(methylamino)pyridine-3-carboxamide","2025-07-09"],["Y1T","(pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C28 H24 Cl F6 N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCc1c(F)c(F)c(F)c(F)c1F)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)N(C(=O)OCc4c(F)c(F)c(F)c(F)c4F)c2c1;CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=O)OCc4c(c(c(c(c4F)F)F)F)F","InChI=1S/C28H24ClF6N7O4/c1-38-8-11-2-4-13-17(6-11)42(28(45)46-10-14-19(31)21(33)23(35)22(34)20(14)32)18(9-39-27(36)37)24(13)41-26(44)25(43)40-12-3-5-15(29)16(30)7-12/h2-7,18,24,38H,8-10H2,1H3,(H,40,43)(H,41,44)(H4,36,37,39)/t18-,24+/m1/s1","","2022-12-27","2023-03-31","(pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["Y1U","3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C21 H19 Cl2 N5 O2","Clc1cccc(Cl)c1N1Cc2cnc(nc2N(C)C1=O)NCC(O)c1ccccc1;CN1C(=O)N(Cc2cnc(NC[CH](O)c3ccccc3)nc12)c4c(Cl)cccc4Cl;CN1c2c(cnc(n2)NCC(c3ccccc3)O)CN(C1=O)c4c(cccc4Cl)Cl","InChI=1S/C21H19Cl2N5O2/c1-27-19-14(12-28(21(27)30)18-15(22)8-5-9-16(18)23)10-24-20(26-19)25-11-17(29)13-6-3-2-4-7-13/h2-10,17,29H,11-12H2,1H3,(H,24,25,26)","","2023-06-09","2024-12-13","3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","2024-12-18"],["L3B","5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione","C9 H7 N3 S","S=C1N=NC(=N1)c2ccccc2C;Cc1ccccc1C2=NC(=S)N=N2;Cc1ccccc1C2=NC(=S)N=N2","InChI=1S/C9H7N3S/c1-6-4-2-3-5-7(6)8-10-9(13)12-11-8/h2-5H,1H3","","2015-09-14","2017-01-06","5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione","2017-01-11"],["A1I6F","~{N}-[3-fluoranyl-5-(5-methyl-4-piperidin-1-ylcarbonyl-furan-2-yl)phenyl]-4,4-dimethyl-piperidine-1-carboximidamide","C25 H33 F N4 O2","Cc1oc(cc1C(=O)N2CCCCC2)c3cc(F)cc(NC(=N)N4CCC(C)(C)CC4)c3;Cc1c(cc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3)(C)C)C(=O)N4CCCCC4","InChI=1S/C25H33FN4O2/c1-17-21(23(31)29-9-5-4-6-10-29)16-22(32-17)18-13-19(26)15-20(14-18)28-24(27)30-11-7-25(2,3)8-12-30/h13-16H,4-12H2,1-3H3,(H2,27,28)","","2025-03-18","2026-03-13","~{N}-[3-fluoranyl-5-(5-methyl-4-piperidin-1-ylcarbonyl-furan-2-yl)phenyl]-4,4-dimethyl-piperidine-1-carboximidamide","2026-03-18"],["Y1V","(4R)-5-amino-L-leucine","C6 H14 N2 O2","C(O)(=O)C(CC(CN)C)N;C[CH](CN)C[CH](N)C(O)=O;CC(CC(C(=O)O)N)CN","InChI=1S/C6H14N2O2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5+/m1/s1","","2021-01-27","2024-09-27","(4R)-5-amino-L-leucine","2021-08-11"],["L3C","4-(chloromethyl)benzoic acid","C8 H7 Cl O2","ClCc1ccc(cc1)C(=O)O;OC(=O)c1ccc(CCl)cc1;c1cc(ccc1CCl)C(=O)O","InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)","","2022-02-25","2023-03-10","4-(chloromethyl)benzoic acid","2023-03-15"],["A1I6O","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]benzoic acid","C32 H22 Cl2 F3 N3 O5","CCNC(=O)c1cccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1;CCNC(=O)c1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O","InChI=1S/C32H22Cl2F3N3O5/c1-2-38-29(41)18-6-3-5-17(13-18)16-45-26-14-19(31(43)44)9-11-21(26)28-22-15-20(33)10-12-25(22)40(39-28)30(42)27-23(32(35,36)37)7-4-8-24(27)34/h3-15H,2,16H2,1H3,(H,38,41)(H,43,44)","","2025-03-18","2026-03-20","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]benzoic acid","2026-03-25"],["L3D","(2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid","C27 H26 N2 O4","Cc4c(C(C(=O)O)OC(C)(C)C)c(c1c3c2c(cc1)OCCc2ccn3)c5c(n4)cccc5;Cc1nc2ccccc2c(c3ccc4OCCc5ccnc3c45)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)C(C(=O)O)OC(C)(C)C","InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4H3,(H,30,31)/t25-/m0/s1","","2019-02-04","2019-12-06","(2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid","2019-12-11"],["Y1W","(1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol","C25 H27 F N2 O6","OC(CC1OCC(CO1)NCc1ccc2OCCOc2c1)c1c2cc(OC)ccc2ncc1F;COc1ccc2ncc(F)c([CH](O)C[CH]3OC[CH](CO3)NCc4ccc5OCCOc5c4)c2c1;COc1ccc2c(c1)c(c(cn2)F)C(CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O","InChI=1S/C25H27FN2O6/c1-30-17-3-4-20-18(9-17)25(19(26)12-28-20)21(29)10-24-33-13-16(14-34-24)27-11-15-2-5-22-23(8-15)32-7-6-31-22/h2-5,8-9,12,16,21,24,27,29H,6-7,10-11,13-14H2,1H3/t16-,21-,24-/m0/s1","","2021-05-26","2021-10-15","(1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol","2021-10-20"],["A1I6R","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(3~{S})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]benzoic acid","C33 H30 Cl2 F3 N3 O6","CC(C)(C)OC(=O)N1CCC[CH](COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)C1;CC(C)(C)OC(=O)N1CCCC(C1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O","InChI=1S/C33H30Cl2F3N3O6/c1-32(2,3)47-31(45)40-13-5-6-18(16-40)17-46-26-14-19(30(43)44)9-11-21(26)28-22-15-20(34)10-12-25(22)41(39-28)29(42)27-23(33(36,37)38)7-4-8-24(27)35/h4,7-12,14-15,18H,5-6,13,16-17H2,1-3H3,(H,43,44)/t18-/m0/s1","","2025-03-18","2026-03-20","4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(3~{S})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]benzoic acid","2026-03-25"],["A1I6U","5-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-6-phenylmethoxy-pyridine-2-carboxylic acid","C28 H16 Cl2 F3 N3 O4","OC(=O)c1ccc(c(OCc2ccccc2)n1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35;c1ccc(cc1)COc2c(ccc(n2)C(=O)O)c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl","InChI=1S/C28H16Cl2F3N3O4/c29-16-9-12-22-18(13-16)24(35-36(22)26(37)23-19(28(31,32)33)7-4-8-20(23)30)17-10-11-21(27(38)39)34-25(17)40-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,38,39)","","2025-03-18","2026-03-20","5-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-6-phenylmethoxy-pyridine-2-carboxylic acid","2026-03-25"],["L3E","4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid","C22 H13 Cl F3 N3 O3","OC(=O)c1ccc(cc1)N=Cc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4;c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)C=Nc4ccc(cc4)C(=O)O)C(F)(F)F","InChI=1S/C22H13ClF3N3O3/c23-17-3-1-2-16(22(24,25)26)18(17)19-15(20(32-29-19)13-8-9-27-10-13)11-28-14-6-4-12(5-7-14)21(30)31/h1-11,27H,(H,30,31)/b28-11+","","2019-07-17","2019-12-20","4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid","2019-12-25"],["Y1X","ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C23 H27 Cl F N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCC)CNC;CCOC(=O)N1[CH](CNC(N)=N)[CH](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)c3ccc(CNC)cc13;CCOC(=O)N1c2cc(ccc2C(C1CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC","InChI=1S/C23H27ClFN7O4/c1-3-36-23(35)32-17-8-12(10-28-2)4-6-14(17)19(18(32)11-29-22(26)27)31-21(34)20(33)30-13-5-7-15(24)16(25)9-13/h4-9,18-19,28H,3,10-11H2,1-2H3,(H,30,33)(H,31,34)(H4,26,27,29)/t18-,19+/m1/s1","","2022-12-27","2023-03-31","ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["Y1Y","3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid","C11 H15 N O5 S","Cc1sc(cc1)C(=O)OCC(C(N)CC(O)=O)O;Cc1sc(cc1)C(=O)OC[CH](O)[CH](N)CC(O)=O;Cc1ccc(s1)C(=O)OCC(C(CC(=O)O)N)O","InChI=1S/C11H15NO5S/c1-6-2-3-9(18-6)11(16)17-5-8(13)7(12)4-10(14)15/h2-3,7-8,13H,4-5,12H2,1H3,(H,14,15)/t7-,8+/m0/s1","","2020-06-02","2024-09-27","3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid","2021-06-02"],["L3F","(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate","C22 H28 N2 O4","CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2;CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)OCc2ccccc2","InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1","benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate; calpain inhibitor III","2022-06-14","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate","2023-07-05"],["A1I6V","1-[(6~{R})-3,3-diethanoyl-6-methyl-cyclohexa-1,4-dien-1-yl]ethanone","C13 H16 O3","C[CH]1C=CC(C=C1C(C)=O)(C(C)=O)C(C)=O;CC1C=CC(C=C1C(=O)C)(C(=O)C)C(=O)C","InChI=1S/C13H16O3/c1-8-5-6-13(10(3)15,11(4)16)7-12(8)9(2)14/h5-8H,1-4H3/t8-/m1/s1","","2025-03-18","2025-03-28","1-[(6~{R})-3,3-diethanoyl-6-methyl-cyclohexa-1,4-dien-1-yl]ethanone","2025-04-02"],["A1I6W","(2~{R})-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(4-ethylhexyl)-2-(4-hydroxyphenyl)-4-oxidanyl-2~{H}-pyrrol-5-one","C27 H31 N O6","CCC(CC)CCCN1[CH](c2ccc(O)cc2)C(=C(O)C1=O)C(=O)c3ccc4OCCOc4c3;CCC(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)O","InChI=1S/C27H31NO6/c1-3-17(4-2)6-5-13-28-24(18-7-10-20(29)11-8-18)23(26(31)27(28)32)25(30)19-9-12-21-22(16-19)34-15-14-33-21/h7-12,16-17,24,29,31H,3-6,13-15H2,1-2H3/t24-/m1/s1","","2025-03-18","2026-01-09","(2~{R})-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(4-ethylhexyl)-2-(4-hydroxyphenyl)-4-oxidanyl-2~{H}-pyrrol-5-one","2026-01-14"],["Y1Z","2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide","C26 H23 Cl N6 O3 S","Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3ccccc34)ccc5N6CCOCC6;Cc1nnc2n1nc(c3ccc(N4CCOCC4)c(N[S](=O)(=O)c5ccccc5Cl)c3)c6ccccc26;Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6","InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3","","2013-11-26","2013-12-13","2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide","2013-12-18"],["L3G","N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE","C32 H36 N8 O3","O=C(c2cc1ccccc1n2C)Nc3ccc(cc3OC)c5nn(c4ncnc(N)c45)C7CCN(C6CCOCC6)CC7;COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn(C5CCN(CC5)C6CCOCC6)c7ncnc(N)c47;Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N","InChI=1S/C32H36N8O3/c1-38-25-6-4-3-5-20(25)17-26(38)32(41)36-24-8-7-21(18-27(24)42-2)29-28-30(33)34-19-35-31(28)40(37-29)23-9-13-39(14-10-23)22-11-15-43-16-12-22/h3-8,17-19,22-23H,9-16H2,1-2H3,(H,36,41)(H2,33,34,35)","","2005-09-07","2011-06-04","N-(4-{4-amino-1-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide",""],["A1I6Z","Zidesamtinib","C22 H22 F N7 O","CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12;CCn1c-2c(cn1)Cc3c(nn(n3)C)-c4ccc(cc4C(Oc5cc2cnc5N)C)F","InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1","","2025-03-19","2025-04-25","","2025-04-30"],["L3H","[(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate","C21 H25 N2 O2","O=C(Nc1ccccc1)O[CH]2CCC[NH+](C2)C3Cc4ccccc4C3;c1ccc(cc1)NC(=O)OC2CCC[NH+](C2)C3Cc4ccccc4C3","InChI=1S/C21H24N2O2/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19/h1-5,7-10,19-20H,6,11-15H2,(H,22,24)/p+1/t20-/m0/s1","","2019-07-17","2020-04-24","[(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate","2020-04-29"],["Y21","(3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid","C20 H22 F N3 O4","c1(cc4c5c(c1N2CCC(C2)C3(CC3)N)OCC(N5C(C(C(=O)O)=C4)=O)C)F;C[CH]1COc2c(N3CC[CH](C3)C4(N)CC4)c(F)cc5C=C(C(O)=O)C(=O)N1c25;CC1COc2c3c(cc(c2N4CCC(C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O","InChI=1S/C20H22FN3O4/c1-10-9-28-17-15-11(6-13(19(26)27)18(25)24(10)15)7-14(21)16(17)23-5-2-12(8-23)20(22)3-4-20/h6-7,10,12H,2-5,8-9,22H2,1H3,(H,26,27)/t10-,12+/m0/s1","","2021-01-27","2021-05-07","(3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid","2021-05-12"],["L3I","2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide","C16 H17 Cl N2 O","O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1;Cc1ccncc1NC(=O)C(C)(C)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl","InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20)","","2023-08-15","2023-11-03","2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["A1I77","5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid","C9 H9 Cl N2 O2","OC(=O)c1cc(NC2CC2)ncc1Cl;c1c(c(cnc1NC2CC2)Cl)C(=O)O","InChI=1S/C9H9ClN2O2/c10-7-4-11-8(12-5-1-2-5)3-6(7)9(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)","","2025-03-26","2026-02-06","5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid","2026-02-11"],["Y22","6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid","C18 H11 F6 N3 O2","FC(F)(F)c1ccc(cc1)CNc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F;OC(=O)c1nc2ccc(cc2nc1NCc3ccc(cc3)C(F)(F)F)C(F)(F)F;c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F","InChI=1S/C18H11F6N3O2/c19-17(20,21)10-3-1-9(2-4-10)8-25-15-14(16(28)29)26-12-6-5-11(18(22,23)24)7-13(12)27-15/h1-7H,8H2,(H,25,27)(H,28,29)","","2014-04-02","2014-12-05","6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid","2014-12-10"],["Y23","4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile","C25 H22 Cl N5 O","N#Cc1ccc(cc1)Cn1c2ccc(Cl)cc2c2CCN(Cc12)C(=O)CCc1cnc[NH]1;Clc1ccc2n(Cc3ccc(cc3)C#N)c4CN(CCc4c2c1)C(=O)CCc5[nH]cnc5;c1cc(ccc1Cn2c3ccc(cc3c4c2CN(CC4)C(=O)CCc5cnc[nH]5)Cl)C#N","InChI=1S/C25H22ClN5O/c26-19-5-7-23-22(11-19)21-9-10-30(25(32)8-6-20-13-28-16-29-20)15-24(21)31(23)14-18-3-1-17(12-27)2-4-18/h1-5,7,11,13,16H,6,8-10,14-15H2,(H,28,29)","","2023-06-09","2024-12-13","4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile","2024-12-18"],["L3J","(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide","C32 H46 N4 O5 S","C(C=NC(C(NCC2NC(=O)c1cc(cc(N(CCC)S(C)(=O)=O)c1)CCCCc3cccc(C2)c3)C(C)O)=O)(C)C;CCCN(c1cc2CCCCc3cccc(C[CH](CN[CH]([CH](C)O)C(=O)N=CC(C)C)NC(=O)c(c2)c1)c3)[S](C)(=O)=O;CCCN(c1cc2cc(c1)C(=O)NC(Cc3cccc(c3)CCCC2)CNC(C(C)O)C(=O)N=CC(C)C)S(=O)(=O)C","InChI=1S/C32H46N4O5S/c1-6-14-36(42(5,40)41)29-18-26-11-8-7-10-24-12-9-13-25(15-24)17-28(35-31(38)27(16-26)19-29)21-33-30(23(4)37)32(39)34-20-22(2)3/h9,12-13,15-16,18-20,22-23,28,30,33,37H,6-8,10-11,14,17,21H2,1-5H3,(H,35,38)/b34-20+/t23-,28-,30+/m0/s1","","2019-02-05","2019-10-04","(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide","2019-10-09"],["Y24","1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one)","C30 H47 N5 O5","CC(N1CCCC1=O)CC(CC(CC(N2CCCC2=O)CCN3CCCC3=O)N4C(=O)CCC4)N5CCCC5=O;C[CH](C[CH](C[CH](C[CH](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O;CC(CC(CC(CC(CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O","InChI=1S/C30H47N5O5/c1-22(32-14-3-8-27(32)37)19-24(34-16-5-10-29(34)39)21-25(35-17-6-11-30(35)40)20-23(33-15-4-9-28(33)38)12-18-31-13-2-7-26(31)36/h22-25H,2-21H2,1H3/t22-,23-,24+,25+/m1/s1","","2021-01-27","2021-02-05","1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one)","2021-02-10"],["A1I79","~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide","C11 H13 Cl N4 O2","NC(=O)CNC(=O)c1cc(NC2CC2)ncc1Cl;c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N","InChI=1S/C11H13ClN4O2/c12-8-4-14-10(16-6-1-2-6)3-7(8)11(18)15-5-9(13)17/h3-4,6H,1-2,5H2,(H2,13,17)(H,14,16)(H,15,18)","OXO(PHENYL)ACETIC ACID","2025-03-26","2026-02-06","~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide","2026-02-11"],["L3K","4-(2-bromoethyl)benzoic acid","C9 H9 Br O2","BrCCc1ccc(cc1)C(=O)O;OC(=O)c1ccc(CCBr)cc1;c1cc(ccc1CCBr)C(=O)O","InChI=1S/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)","","2022-02-25","2023-03-10","4-(2-bromoethyl)benzoic acid","2023-03-15"],["L3L","3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide","C14 H17 N3 O2","NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12;c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3","InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)","","2010-01-21","2011-06-04","3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide",""],["Y25","5-chloropyridin-3-ol","C5 H4 Cl N O","Oc1cncc(Cl)c1;Oc1cncc(Cl)c1;c1c(cncc1Cl)O","InChI=1S/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H","","2023-11-14","2024-02-09","5-chloropyridin-3-ol","2024-02-14"],["L3M","(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide","C34 H52 N4 O5 S","O=C3c1cc(cc(c1)CCCCc2cc(ccc2)CC(CNC(C(CCC)O)C(=O)NCC(C)C)N3)N(CCC)S(C)(=O)=O;CCC[CH](O)[CH](NC[CH]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C(=O)NCC(C)C;CCCC(C(C(=O)NCC(C)C)NCC1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O","InChI=1S/C34H52N4O5S/c1-6-11-31(39)32(34(41)36-22-24(3)4)35-23-29-19-26-15-10-14-25(17-26)12-8-9-13-27-18-28(33(40)37-29)21-30(20-27)38(16-7-2)44(5,42)43/h10,14-15,17-18,20-21,24,29,31-32,35,39H,6-9,11-13,16,19,22-23H2,1-5H3,(H,36,41)(H,37,40)/t29-,31-,32-/m0/s1","","2019-02-05","2019-10-04","(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide","2019-10-09"],["Y26","propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C24 H29 Cl F N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCCC)CNC;CCCOC(=O)N1[CH](CNC(N)=N)[CH](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)c3ccc(CNC)cc13;CCCOC(=O)N1c2cc(ccc2C(C1CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC","InChI=1S/C24H29ClFN7O4/c1-3-8-37-24(36)33-18-9-13(11-29-2)4-6-15(18)20(19(33)12-30-23(27)28)32-22(35)21(34)31-14-5-7-16(25)17(26)10-14/h4-7,9-10,19-20,29H,3,8,11-12H2,1-2H3,(H,31,34)(H,32,35)(H4,27,28,30)/t19-,20+/m1/s1","","2022-12-27","2023-03-31","propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["A1I7I","Isoxaflutole","C15 H12 F3 N O4 S","C[S](=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F;CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F","InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3","(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone","2025-03-24","2026-04-03","(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone","2026-04-08"],["Y27","(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE","C14 H21 N3 O","O=C(Nc1ccncc1)C2CCC(C(N)C)CC2;C[CH](N)[CH]1CC[CH](CC1)C(=O)Nc2ccncc2;CC(C1CCC(CC1)C(=O)Nc2ccncc2)N","InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1","","2003-08-25","2011-06-04","trans-4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexanecarboxamide",""],["L3N","1~{H}-quinazoline-2,4-dione","C8 H6 N2 O2","O=C1NC(=O)c2ccccc2N1;c1ccc2c(c1)C(=O)NC(=O)N2","InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)","","2022-06-15","2023-09-08","1~{H}-quinazoline-2,4-dione","2023-09-13"],["A1I7J","Trinexapac-ethyl","C13 H16 O5","CCOC(=O)[CH]1CC(=O)[C](C(=O)C1)=[C](O)C2CC2;CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1","InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-/t8-/m0/s1","ethyl 4-[cyclopropyl(oxidanyl)methylidene]-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate; Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate","2025-03-24","2026-04-03","ethyl 4-[cyclopropyl(oxidanyl)methylidene]-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate","2026-04-08"],["Y28","O-benzyl-N-(carboxycarbonyl)-D-tyrosine","C18 H17 N O6","O=C(O)C(=O)NC(C(=O)O)Cc2ccc(OCc1ccccc1)cc2;OC(=O)[CH](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(O)=O;c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)NC(=O)C(=O)O","InChI=1S/C18H17NO6/c20-16(18(23)24)19-15(17(21)22)10-12-6-8-14(9-7-12)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)(H,21,22)(H,23,24)/t15-/m1/s1","(2R)-2-(carboxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid","2009-10-23","2020-06-17","O-benzyl-N-(carboxycarbonyl)-D-tyrosine",""],["A1I7K","7-bromanyl-3,4-dihydro-2~{H}-pyrido[3,2-b][1,4]oxazine","C7 H7 Br N2 O","Brc1cnc2NCCOc2c1;c1c(cnc2c1OCCN2)Br","InChI=1S/C7H7BrN2O/c8-5-3-6-7(10-4-5)9-1-2-11-6/h3-4H,1-2H2,(H,9,10)","","2025-03-24","2026-02-06","7-bromanyl-3,4-dihydro-2~{H}-pyrido[3,2-b][1,4]oxazine","2026-02-11"],["L3O","(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid","C7 H15 N O3","O=C(O)C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C(O)=O;CC(C)CC(C(C(=O)O)O)N","InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1","","2009-05-03","2024-09-27","(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid",""],["Y29","2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one","C13 H12 Cl N5 O","Clc1ccc(cc1)Nc1ncc2c(n1)N(C)C(=O)N2C;CN1C(=O)N(C)c2nc(Nc3ccc(Cl)cc3)ncc12;CN1c2cnc(nc2N(C1=O)C)Nc3ccc(cc3)Cl","InChI=1S/C13H12ClN5O/c1-18-10-7-15-12(17-11(10)19(2)13(18)20)16-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17)","","2023-06-09","2024-12-13","2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one","2024-12-18"],["L3P","2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE","C46 H94 O11 P2","[O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCCC(C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH](C)CCCC(C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-2/t39?,40?,41-,42-,43-,44-,45-,46+/m1/s1","","1999-09-22","2011-06-04","(2S)-2,3-bis{[(3R,7R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate",""],["A1I7L","Tefuryltrione","C20 H23 Cl O7 S","C[S](=O)(=O)c1ccc(c(Cl)c1COC[CH]2CCCO2)C(=O)C3C(=O)CCCC3=O;CS(=O)(=O)c1ccc(c(c1COCC2CCCO2)Cl)C(=O)C3C(=O)CCCC3=O","InChI=1S/C20H23ClO7S/c1-29(25,26)17-8-7-13(20(24)18-15(22)5-2-6-16(18)23)19(21)14(17)11-27-10-12-4-3-9-28-12/h7-8,12,18H,2-6,9-11H2,1H3/t12-/m0/s1","2-[2-chloranyl-4-methylsulfonyl-3-[[(2~{S})-oxolan-2-yl]methoxymethyl]phenyl]carbonylcyclohexane-1,3-dione","2025-03-24","2026-04-03","2-[2-chloranyl-4-methylsulfonyl-3-[[(2~{S})-oxolan-2-yl]methoxymethyl]phenyl]carbonylcyclohexane-1,3-dione","2026-04-08"],["L3Q","(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one","C6 H10 N2 O2","O=C1OC[CH]2CNCCN12;C1CN2C(CN1)COC2=O","InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1","","2019-07-18","2020-04-10","(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one","2020-04-15"],["A1I7Y","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(3-sulfanylphenyl)pentanamide","C16 H21 N3 O2 S2","Sc1cccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)c1;c1cc(cc(c1)S)NC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C16H21N3O2S2/c20-14(17-10-4-3-5-11(22)8-10)7-2-1-6-13-15-12(9-23-13)18-16(21)19-15/h3-5,8,12-13,15,22H,1-2,6-7,9H2,(H,17,20)(H2,18,19,21)/t12-,13-,15-/m0/s1","","2025-03-25","2025-11-07","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(3-sulfanylphenyl)pentanamide","2025-11-12"],["Y2A","(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid","C6 H9 O10 P","C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O;OC(=O)C[C](O)(CC(=O)O[P](O)(O)=O)C(O)=O;C(C(=O)O)C(CC(=O)OP(=O)(O)O)(C(=O)O)O","InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1","","2021-01-28","2021-05-14","(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid","2021-05-19"],["L3R","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","C24 H25 F O5 S","Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O;Cc1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1","Canagliflozin","2022-11-09","2023-11-03","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","2023-11-08"],["Y2B","6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H29 F N4 O","Fc1cccc(c1)C4CC4NCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCN[CH]3C[CH]3c4cccc(F)c4)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNC3CC3c4cccc(c4)F","InChI=1S/C22H29FN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19-,20+,21+/m1/s1","","2011-04-29","2012-04-27","6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["Y2C","3,5-dichloropyridin-4-amine","C5 H4 Cl2 N2","Clc1cncc(Cl)c1N;Nc1c(Cl)cncc1Cl;c1c(c(c(cn1)Cl)N)Cl","InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)","","2023-11-14","2024-02-09","3,5-dichloropyridin-4-amine","2024-02-14"],["L3S","5-methyl-2-nitrophenol","C7 H7 N O3","c1(cc(C)ccc1[N+](=O)[O-])O;Cc1ccc(c(O)c1)[N+]([O-])=O;Cc1ccc(c(c1)O)[N+](=O)[O-]","InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3","","2019-02-06","2024-09-27","5-methyl-2-nitrophenol","2020-09-23"],["A1I8E","5-iodanyl-1~{H}-pyrrolo[2,3-b]pyridine","C7 H5 I N2","Ic1cnc2[nH]ccc2c1;c1c[nH]c2c1cc(cn2)I","InChI=1S/C7H5IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)","","2025-03-26","2026-02-06","5-iodanyl-1~{H}-pyrrolo[2,3-b]pyridine","2026-02-11"],["Y2D","1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one","C22 H20 F3 N5 O2","c1cc(C(F)(F)F)ccc1COC2C(CN(C2)C(C=C)=O)n3cc(nn3)c4cccnc4;FC(F)(F)c1ccc(CO[CH]2CN(C[CH]2n3cc(nn3)c4cccnc4)C(=O)C=C)cc1;C=CC(=O)N1CC(C(C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4","InChI=1S/C22H20F3N5O2/c1-2-21(31)29-12-19(30-11-18(27-28-30)16-4-3-9-26-10-16)20(13-29)32-14-15-5-7-17(8-6-15)22(23,24)25/h2-11,19-20H,1,12-14H2/t19-,20-/m1/s1","1-[(3~{R},4~{R})-3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one","2021-01-28","2024-09-27","1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one","2022-02-02"],["L3T","N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide","C35 H40 N6 O5","O=C(NCc1ccccc1C)C(NC(=O)C(NC(=O)C(=O)c3c2ccccc2nc3)CC(=O)NCC(C)(C)C)Cc4ccncc4;Cc1ccccc1CNC(=O)[CH](Cc2ccncc2)NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4ccccc34;Cc1ccccc1CNC(=O)C(Cc2ccncc2)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4","InChI=1S/C35H40N6O5/c1-22-9-5-6-10-24(22)19-38-32(44)28(17-23-13-15-36-16-14-23)40-33(45)29(18-30(42)39-21-35(2,3)4)41-34(46)31(43)26-20-37-27-12-8-7-11-25(26)27/h5-16,20,28-29,37H,17-19,21H2,1-4H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t28-,29-/m0/s1","","2010-10-19","2011-06-04","N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide",""],["Y2E","3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C24 H26 Cl F4 N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCCC(F)(F)F)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)N(C(=O)OCCC(F)(F)F)c2c1;CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=O)OCCC(F)(F)F","InChI=1S/C24H26ClF4N7O4/c1-32-10-12-2-4-14-17(8-12)36(23(39)40-7-6-24(27,28)29)18(11-33-22(30)31)19(14)35-21(38)20(37)34-13-3-5-15(25)16(26)9-13/h2-5,8-9,18-19,32H,6-7,10-11H2,1H3,(H,34,37)(H,35,38)(H4,30,31,33)/t18-,19+/m1/s1","","2022-12-27","2023-03-31","3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["A1I8F","5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridine","C7 H5 Cl N2","Clc1cnc2[nH]ccc2c1;c1c[nH]c2c1cc(cn2)Cl","InChI=1S/C7H5ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)","","2025-03-26","2026-02-06","5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridine","2026-02-11"],["L3U","[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C16 H26 N4 O9 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)N(C)C2=O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=O)N(C2=O)C)O)O)N","InChI=1S/C16H26N4O9S/c1-8(2)6-9(17)14(24)18-30(26,27)28-7-10-12(22)13(23)15(29-10)20-5-4-11(21)19(3)16(20)25/h4-5,8-10,12-13,15,22-23H,6-7,17H2,1-3H3,(H,18,24)/t9-,10+,12+,13+,15+/m0/s1","","2018-12-17","2019-04-12","[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2019-04-17"],["A1I8Q","2-[3-[2-[3-(methylamino)propylsulfanylmethyl]prop-2-enylsulfanylmethyl]phenyl]ethanoic acid","C17 H25 N O2 S2","CNCCCSCC(=C)CSCc1cccc(CC(O)=O)c1;CNCCCSCC(=C)CSCc1cccc(c1)CC(=O)O","InChI=1S/C17H25NO2S2/c1-14(11-21-8-4-7-18-2)12-22-13-16-6-3-5-15(9-16)10-17(19)20/h3,5-6,9,18H,1,4,7-8,10-13H2,2H3,(H,19,20)","","2025-03-26","2026-03-13","2-[3-[2-[3-(methylamino)propylsulfanylmethyl]prop-2-enylsulfanylmethyl]phenyl]ethanoic acid","2026-03-18"],["Y2F","6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H31 F N4 O","Fc1cccc(c1)CC(NCCOC2C(CNC2)Cc3nc(N)cc(c3)C)C;C[CH](Cc1cccc(F)c1)NCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3;Cc1cc(nc(c1)N)CC2CNCC2OCCNC(C)Cc3cccc(c3)F","InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18+,21-/m0/s1","","2011-04-29","2012-04-27","6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["L3V","N-[4-(hydroxymethyl)phenyl]acetamide","C9 H11 N O2","CC(=O)Nc1ccc(CO)cc1;CC(=O)Nc1ccc(CO)cc1;CC(=O)Nc1ccc(cc1)CO","InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12)","","2019-02-06","2024-09-27","N-[4-(hydroxymethyl)phenyl]acetamide","2020-09-23"],["A1I8R","N-methyl-beta-alanine","C4 H9 N O2","CNCCC(O)=O;CNCCC(=O)O","InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)","","2025-03-26","2026-03-13","3-(methylamino)propanoic acid","2026-03-18"],["Y2G","N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","C14 H21 N3 O4","N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O;COCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2;Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC","InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)","","2021-01-28","2021-02-12","N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["L3W","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C21 H29 N7 O16 P2","NC(=O)C(O)=CC=CN(C=O)[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N(C=CC=C(C(=O)N)O)C=O)O)O)O)O)N","InChI=1S/C21H29N7O16P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(34)14(32)11(43-21)5-41-46(38,39)44-45(36,37)40-4-10-13(31)15(33)20(42-10)27(8-29)3-1-2-9(30)18(23)35/h1-3,6-8,10-11,13-16,20-21,30-34H,4-5H2,(H2,23,35)(H,36,37)(H,38,39)(H2,22,24,25)/b3-1+,9-2-/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2019-07-18","2020-07-17","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2020-07-22"],["Y2H","4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide","C26 H29 N7 O2","CN1CCC(NC(=O)c2ccc(Nc3nc4N(C)C(=O)N(Cc5ccccc5)c4cn3)cc2)CC1;CN1CCC(CC1)NC(=O)c2ccc(Nc3ncc4N(Cc5ccccc5)C(=O)N(C)c4n3)cc2;CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)N4Cc5ccccc5)C","InChI=1S/C26H29N7O2/c1-31-14-12-21(13-15-31)28-24(34)19-8-10-20(11-9-19)29-25-27-16-22-23(30-25)32(2)26(35)33(22)17-18-6-4-3-5-7-18/h3-11,16,21H,12-15,17H2,1-2H3,(H,28,34)(H,27,29,30)","","2023-06-09","2024-12-13","4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide","2024-12-18"],["L3X","3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate)","C12 H18 N7 O7 P","O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1NC(=O)CN;NCC(=O)N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)CN)O)N","InChI=1S/C12H18N7O7P/c13-1-6(20)18-7-5(2-25-27(22,23)24)26-12(9(7)21)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,21H,1-2,13H2,(H,18,20)(H2,14,15,16)(H2,22,23,24)/t5-,7-,9-,12-/m1/s1","","2022-02-25","2022-07-08","3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate)","2022-07-13"],["A1I8U","(2~{S})-4-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-2-ol","C13 H14 Cl N5 O","C[CH](O)CCn1cc(nn1)c2c(Cl)cnc3[nH]ccc23;CC(CCn1cc(nn1)c2c3cc[nH]c3ncc2Cl)O","InChI=1S/C13H14ClN5O/c1-8(20)3-5-19-7-11(17-18-19)12-9-2-4-15-13(9)16-6-10(12)14/h2,4,6-8,20H,3,5H2,1H3,(H,15,16)/t8-/m0/s1","","2025-03-26","2026-02-06","(2~{S})-4-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-2-ol","2026-02-11"],["L3Y","4-(methylsulfonyl)benzaldehyde","C8 H8 O3 S","CS(c1ccc(C=O)cc1)(=O)=O;C[S](=O)(=O)c1ccc(C=O)cc1;CS(=O)(=O)c1ccc(cc1)C=O","InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3","","2019-02-06","2024-09-27","4-(methylsulfonyl)benzaldehyde","2020-09-23"],["A1I8V","(2~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]-2-methyl-propan-1-ol","C13 H14 Cl N5 O","C[CH](CO)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23;CC(Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl)CO","InChI=1S/C13H14ClN5O/c1-8(7-20)5-19-6-11(17-18-19)12-9-2-3-15-13(9)16-4-10(12)14/h2-4,6,8,20H,5,7H2,1H3,(H,15,16)/t8-/m0/s1","","2025-03-26","2026-02-06","(2~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]-2-methyl-propan-1-ol","2026-02-11"],["Y2I","N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","C30 H36 N6 O2","CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cn(nc1)C1CC1)c1cn(C)nc1;C[CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(cc(c2)c3cnn(c3)C4CC4)c5cnn(C)c5;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cnn(c3)C4CC4)c5cnn(c5)C)OCCN(C)C","InChI=1S/C30H36N6O2/c1-20-6-9-28(38-11-10-34(3)4)15-29(20)30(37)33-21(2)22-12-23(25-16-31-35(5)18-25)14-24(13-22)26-17-32-36(19-26)27-7-8-27/h6,9,12-19,21,27H,7-8,10-11H2,1-5H3,(H,33,37)","","2023-11-14","2024-03-29","N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","2024-04-03"],["A1I8Y","(3~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol","C13 H14 Cl N5 O","C[CH](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23;CC(CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl","InChI=1S/C13H14ClN5O/c1-8(3-5-20)19-7-11(17-18-19)12-9-2-4-15-13(9)16-6-10(12)14/h2,4,6-8,20H,3,5H2,1H3,(H,15,16)/t8-/m0/s1","","2025-03-26","2026-02-06","(3~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol","2026-02-11"],["L3Z","8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one","C24 H22 N4 O2","O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5;c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2","InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)","","2019-07-19","2019-11-15","","2019-11-20"],["Y2J","4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide","C13 H18 Cl N3 O4","N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O;COCCNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2;COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl","InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19)","","2021-01-28","2021-02-12","4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide","2021-02-17"],["L40","4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide","C18 H23 N3 O4 S","c1c(c(cc(c1)S(NC)(=O)=O)NC(c2c(c(c(n2)C)C(C)=O)CC)=O)C;CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O)NC;CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C","InChI=1S/C18H23N3O4S/c1-6-14-16(12(4)22)11(3)20-17(14)18(23)21-15-9-13(8-7-10(15)2)26(24,25)19-5/h7-9,19-20H,6H2,1-5H3,(H,21,23)","","2015-08-06","2016-01-15","4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide","2016-01-20"],["A1I8Z","(3~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol","C13 H14 Cl N5 O","C[CH](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23;CC(CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl","InChI=1S/C13H14ClN5O/c1-8(3-5-20)19-7-11(17-18-19)12-9-2-4-15-13(9)16-6-10(12)14/h2,4,6-8,20H,3,5H2,1H3,(H,15,16)/t8-/m1/s1","","2025-03-26","2026-02-06","(3~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol","2026-02-11"],["Y2K","2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C23 H24 Cl F4 N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCC(F)(F)F)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)N(C(=O)OCC(F)(F)F)c2c1;CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=O)OCC(F)(F)F","InChI=1S/C23H24ClF4N7O4/c1-31-8-11-2-4-13-16(6-11)35(22(38)39-10-23(26,27)28)17(9-32-21(29)30)18(13)34-20(37)19(36)33-12-3-5-14(24)15(25)7-12/h2-7,17-18,31H,8-10H2,1H3,(H,33,36)(H,34,37)(H4,29,30,32)/t17-,18+/m1/s1","","2022-12-27","2023-03-31","2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["L41","{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid","C22 H26 O7","O=C(O)COc2ccc(OCCCOc1ccc(C(=O)C)c(O)c1CCC)cc2;CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(O)=O)cc2)C(C)=O;CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O","InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)","","2008-05-19","2011-06-04","{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid",""],["A1I9A","2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-azanium","C12 H17 N2 O4 S2","C[N+](C)(C)CCSSc1ccc(c(c1)C(O)=O)[N+]([O-])=O;C[N+](C)(C)CCSSc1ccc(c(c1)C(=O)O)[N+](=O)[O-]","InChI=1S/C12H16N2O4S2/c1-14(2,3)6-7-19-20-9-4-5-11(13(17)18)10(8-9)12(15)16/h4-5,8H,6-7H2,1-3H3/p+1","","2025-04-01","2025-11-14","2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-azanium","2025-11-19"],["Y2L","4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C14 H14 F3 N7 O2","FC(F)(F)c1cc(Cn2nc(C)nn2)c(cc1)OCC1=NNC(=O)N1C;CN1C(=O)NN=C1COc2ccc(cc2Cn3nnc(C)n3)C(F)(F)F;Cc1nnn(n1)Cc2cc(ccc2OCC3=NNC(=O)N3C)C(F)(F)F","InChI=1S/C14H14F3N7O2/c1-8-18-22-24(21-8)6-9-5-10(14(15,16)17)3-4-11(9)26-7-12-19-20-13(25)23(12)2/h3-5H,6-7H2,1-2H3,(H,20,25)","","2023-06-09","2024-12-13","4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["Y2M","N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","C15 H21 N3 O3","N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3;Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3;Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3","InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20)","","2021-01-28","2021-02-12","N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["L43","3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid","C14 H10 N4 O2","OC(=O)c1cccc(c1)c2ccc(cc2)c3[nH]nnn3;c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3","InChI=1S/C14H10N4O2/c19-14(20)12-3-1-2-11(8-12)9-4-6-10(7-5-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)","","2017-07-27","2018-01-05","3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid","2018-01-10"],["Y2N","5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide","C27 H31 N5 O2 S","CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cncs1)c1cn(C)nc1;C[CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(cc(c2)c3cnn(C)c3)c4scnc4;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cncs3)c4cnn(c4)C)OCCN(C)C","InChI=1S/C27H31N5O2S/c1-18-6-7-24(34-9-8-31(3)4)13-25(18)27(33)30-19(2)20-10-21(23-14-29-32(5)16-23)12-22(11-20)26-15-28-17-35-26/h6-7,10-17,19H,8-9H2,1-5H3,(H,30,33)","","2023-11-14","2024-03-29","5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide","2024-04-03"],["A1I9E","(2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid","C40 H41 F3 N6 O5","CC[C](C)(CC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78)C(O)=O;CCC(C)(CC(=O)N1C2CCC1CN(C2)c3c4cnc(c(c4nc(n3)OCC56CCCN5CC(C6)F)F)c7cc(cc8c7c(c(cc8)F)C#C)O)C(=O)O","InChI=1S/C40H41F3N6O5/c1-4-27-30(42)10-7-22-13-26(50)14-28(32(22)27)34-33(43)35-29(17-44-34)36(46-38(45-35)54-21-40-11-6-12-48(40)18-23(41)15-40)47-19-24-8-9-25(20-47)49(24)31(51)16-39(3,5-2)37(52)53/h1,7,10,13-14,17,23-25,50H,5-6,8-9,11-12,15-16,18-21H2,2-3H3,(H,52,53)/t23-,24-,25+,39-,40+/m1/s1","","2025-04-02","2025-07-18","(2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid","2025-07-23"],["L44","(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate","C39 H76 O5","O=C(OC(CO)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCC","InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1","","2012-04-11","2012-09-07","(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate","2012-09-07"],["L45","~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C21 H27 N3 O5 S","CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1;CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O","InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(28,29)14-10-11-17(25)16(12-14)23-21(27)20-15-8-6-7-9-18(26)19(15)13(3)22-20/h10-12,22,25H,4-9H2,1-3H3,(H,23,27)","","2019-07-19","2020-12-04","~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["Y2O","benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","C28 H29 Cl F N7 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCc1ccccc1)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)N(C(=O)OCc4ccccc4)c2c1;CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=O)OCc4ccccc4","InChI=1S/C28H29ClFN7O4/c1-33-13-17-7-9-19-22(11-17)37(28(40)41-15-16-5-3-2-4-6-16)23(14-34-27(31)32)24(19)36-26(39)25(38)35-18-8-10-20(29)21(30)12-18/h2-12,23-24,33H,13-15H2,1H3,(H,35,38)(H,36,39)(H4,31,32,34)/t23-,24+/m1/s1","","2022-12-27","2023-03-31","benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate","2023-04-05"],["A1I9F","(2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid","C44 H47 F3 N6 O6","C[C](CC1CCOCC1)(CC(=O)N2[CH]3CC[CH]2CN(C3)c4nc(OC[C]56CCCN5C[CH](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F)c(C#C)c89)C(O)=O;CC(CC1CCOCC1)(CC(=O)N2C3CCC2CN(C3)c4c5cnc(c(c5nc(n4)OCC67CCCN6CC(C7)F)F)c8cc(cc9c8c(c(cc9)F)C#C)O)C(=O)O","InChI=1S/C44H47F3N6O6/c1-3-31-34(46)8-5-26-15-30(54)16-32(36(26)31)38-37(47)39-33(20-48-38)40(50-42(49-39)59-24-44-11-4-12-52(44)21-27(45)18-44)51-22-28-6-7-29(23-51)53(28)35(55)19-43(2,41(56)57)17-25-9-13-58-14-10-25/h1,5,8,15-16,20,25,27-29,54H,4,6-7,9-14,17-19,21-24H2,2H3,(H,56,57)/t27-,28-,29+,43+,44+/m1/s1","","2025-04-02","2025-07-18","(2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid","2025-07-23"],["Y2P","2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide","C29 H27 F5 N6 O4","N4(C(C1(CC(c2c1ccc(c2)c3cn(nc3)CC(=O)NC)F)NC4=O)=O)CC(N(Cc5ccc(cc5)F)C(C)C(F)(F)F)=O;CNC(=O)Cn1cc(cn1)c2ccc3c(c2)[CH](F)C[C]34NC(=O)N(CC(=O)N(Cc5ccc(F)cc5)[CH](C)C(F)(F)F)C4=O;CC(C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)C3(CC(c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O","InChI=1S/C29H27F5N6O4/c1-16(29(32,33)34)39(12-17-3-6-20(30)7-4-17)25(42)15-40-26(43)28(37-27(40)44)10-23(31)21-9-18(5-8-22(21)28)19-11-36-38(13-19)14-24(41)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,41)(H,37,44)/t16-,23+,28-/m0/s1","","2021-01-29","2021-03-12","2-[(3'R,4S)-3'-fluoro-5'-{1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-yl}-2,5-dioxo-2',3'-dihydro-1H-spiro[imidazolidine-4,1'-inden]-1-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide","2021-03-17"],["A1I9O","5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid","C32 H31 Cl N4 O2","OC(=O)c1ccc2c(c1)nc(NCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O","InChI=1S/C32H31ClN4O2/c33-29-18-22(10-12-25(29)23-8-4-3-5-9-23)20-34-15-6-1-2-7-16-36-31-27-14-17-35-21-28(27)26-13-11-24(32(38)39)19-30(26)37-31/h3-5,8-14,17-19,21,34H,1-2,6-7,15-16,20H2,(H,36,37)(H,38,39)","","2025-04-03","2025-07-25","5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid","2025-07-30"],["L46","4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide","C11 H16 N2 O2","O=C(c1c(c(c(n1)C)C(=O)C)CC)NC;CCc1c([nH]c(C)c1C(C)=O)C(=O)NC;CCc1c(c([nH]c1C(=O)NC)C)C(=O)C","InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15)","","2013-08-19","2014-01-10","4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide","2014-01-15"],["L47","3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL","C17 H15 Cl N2 O2","O=C(N3N=C(c1ccccc1Cl)CC3c2cc(O)ccc2)C;CC(=O)N1N=C(C[CH]1c2cccc(O)c2)c3ccccc3Cl;CC(=O)N1C(CC(=N1)c2ccccc2Cl)c3cccc(c3)O","InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3/t17-/m0/s1","","2005-03-07","2011-06-04","3-[(5S)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol",""],["A1I9R","methyl (2R)-2-[4,5,13-trimethyl-7-[4-(propanoylamino)phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate","C25 H29 N5 O3 S","CC[CH]([CH]1N=C(c2ccc(NC(=O)CC)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC;CCC(C1c2nnc(n2-c3c(c(c(s3)C)C)C(=N1)c4ccc(cc4)NC(=O)CC)C)C(=O)OC","InChI=1S/C25H29N5O3S/c1-7-18(25(32)33-6)22-23-29-28-15(5)30(23)24-20(13(3)14(4)34-24)21(27-22)16-9-11-17(12-10-16)26-19(31)8-2/h9-12,18,22H,7-8H2,1-6H3,(H,26,31)/t18-,22-/m1/s1","methyl (R)-2-((S)-2,3,9-trimethyl-4-(4-propionamidophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate","2025-04-03","2026-04-10","methyl (2~{R})-2-[4,5,13-trimethyl-7-[4-(propanoylamino)phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate","2026-04-15"],["Y2Q","(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone","C22 H22 Cl2 N4 O3 S","Clc1cc(cc(Cl)c1)CCS(=O)(=O)C1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;Clc1cc(Cl)cc(CC[S](=O)(=O)C2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)c1;c1cc2c(cc1C(=O)N3CC4CC(CC4C3)S(=O)(=O)CCc5cc(cc(c5)Cl)Cl)nn[nH]2","InChI=1S/C22H22Cl2N4O3S/c23-17-5-13(6-18(24)10-17)3-4-32(30,31)19-7-15-11-28(12-16(15)8-19)22(29)14-1-2-20-21(9-14)26-27-25-20/h1-2,5-6,9-10,15-16,19H,3-4,7-8,11-12H2,(H,25,26,27)","","2023-06-09","2024-12-13","(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone","2024-12-18"],["Y2R","N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","C29 H33 N3 O2 S2","NCc1ccc(s1)c1cc(cc(c1)c1cccs1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C;C[CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(cc(c2)c3sc(CN)cc3)c4sccc4;Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3ccc(s3)CN)c4cccs4)OCCN(C)C","InChI=1S/C29H33N3O2S2/c1-19-7-8-24(34-12-11-32(3)4)17-26(19)29(33)31-20(2)21-14-22(27-6-5-13-35-27)16-23(15-21)28-10-9-25(18-30)36-28/h5-10,13-17,20H,11-12,18,30H2,1-4H3,(H,31,33)","","2023-11-14","2024-03-29","N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide","2024-04-03"],["L49","(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate","C19 H14 F4 N2 O2","FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccnc1)c1ccc(F)cc1;Fc1ccc(cc1)[CH](Cn2ccnc2)OC(=O)c3cccc(c3)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C(=O)OC(Cn2ccnc2)c3ccc(cc3)F","InChI=1S/C19H14F4N2O2/c20-16-6-4-13(5-7-16)17(11-25-9-8-24-12-25)27-18(26)14-2-1-3-15(10-14)19(21,22)23/h1-10,12,17H,11H2/t17-/m1/s1","","2021-07-23","2022-07-22","(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate","2022-07-27"],["A1I9U","(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid","C9 H14 O8","C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O","InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4+,5-,6-,7+,9-/m0/s1","","2025-04-03","2025-08-29","(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid","2025-09-03"],["A1I9V","5-METHYL-2-THIO-URIDINE-5'-MONOPHOSPHATE","C10 H15 N2 O8 P S","CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O;CC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O8PS/c1-4-2-12(10(22)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(16,17)18/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,22)(H2,16,17,18)/t5-,6-,7-,9-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2025-04-04","2025-12-02","[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2025-05-14"],["L4A","2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid","C8 H11 N O5","c1(oc(c(n1)C(=O)O)CCO)CCO;OCCc1oc(CCO)c(n1)C(O)=O;C(CO)c1c(nc(o1)CCO)C(=O)O","InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13)","Clavulanic Acid, opened form","2019-02-06","2020-06-17","2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid","2019-12-11"],["Y2S","5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide","C26 H30 F3 N3 O3","C(NCc1cc(CC(NC)=O)ccc1)(=O)c2ncc(c(c2)[C@H]=[C@H]C3CCC(CC3)C(F)(F)F)OC;CNC(=O)Cc1cccc(CNC(=O)c2cc(C=C[CH]3CC[CH](CC3)C(F)(F)F)c(OC)cn2)c1;CNC(=O)Cc1cccc(c1)CNC(=O)c2cc(c(cn2)OC)C=CC3CCC(CC3)C(F)(F)F","InChI=1S/C26H30F3N3O3/c1-30-24(33)13-18-4-3-5-19(12-18)15-32-25(34)22-14-20(23(35-2)16-31-22)9-6-17-7-10-21(11-8-17)26(27,28)29/h3-6,9,12,14,16-17,21H,7-8,10-11,13,15H2,1-2H3,(H,30,33)(H,32,34)/b9-6+/t17-,21-","","2021-02-01","2023-08-11","5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide","2023-08-16"],["Y2U","2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one","C18 H17 Cl N4 O2","Clc1ccc2CC(Cc2c1)Nc1nc2CN(C3COC3)C(=O)c2cn1;Clc1ccc2C[CH](Cc2c1)Nc3ncc4C(=O)N(Cc4n3)C5COC5;c1cc2c(cc1Cl)CC(C2)Nc3ncc4c(n3)CN(C4=O)C5COC5","InChI=1S/C18H17ClN4O2/c19-12-2-1-10-4-13(5-11(10)3-12)21-18-20-6-15-16(22-18)7-23(17(15)24)14-8-25-9-14/h1-3,6,13-14H,4-5,7-9H2,(H,20,21,22)/t13-/m0/s1","","2023-06-09","2024-12-13","2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one","2024-12-18"],["A1I9Y","5-(thiophen-2-ylmethylamino)-3~{H}-1,3,4-thiadiazole-2-thione","C7 H7 N3 S3","S=C1NN=C(NCc2sccc2)S1;c1cc(sc1)CNC2=NNC(=S)S2","InChI=1S/C7H7N3S3/c11-7-10-9-6(13-7)8-4-5-2-1-3-12-5/h1-3H,4H2,(H,8,9)(H,10,11)","","2025-04-04","2026-04-10","5-(thiophen-2-ylmethylamino)-3~{H}-1,3,4-thiadiazole-2-thione","2026-04-15"],["L4B","(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)-\n3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid","C27 H38 O4","CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)[CH]2CC[C]4(C)[CH]3Cc5c(O)c(O)cc(C(O)=O)c45;CC1(CCCC2(C1CCC3(C2CCC4(C3Cc5c4c(cc(c5O)O)C(=O)O)C)C)C)C","InChI=1S/C27H38O4/c1-24(2)9-6-10-25(3)18(24)7-11-26(4)19(25)8-12-27(5)20(26)14-15-21(27)16(23(30)31)13-17(28)22(15)29/h13,18-20,28-29H,6-12,14H2,1-5H3,(H,30,31)/t18-,19+,20-,25-,26+,27-/m1/s1","merosterolic acid A","2019-07-19","2020-07-10","(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)-3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid","2020-07-15"],["A1I9Z","5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid","C34 H35 Cl N4 O2","OC(=O)c1ccc2c(c1)nc(NCCCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O","InChI=1S/C34H35ClN4O2/c35-31-20-24(12-14-27(31)25-10-6-5-7-11-25)22-36-17-8-3-1-2-4-9-18-38-33-29-16-19-37-23-30(29)28-15-13-26(34(40)41)21-32(28)39-33/h5-7,10-16,19-21,23,36H,1-4,8-9,17-18,22H2,(H,38,39)(H,40,41)","","2025-04-07","2025-07-25","5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid","2025-07-30"],["Y2V","4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","C13 H16 F3 N3 O3","N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O)CC2;Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F;Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F","InChI=1S/C13H16F3N3O3/c1-9-2-3-10(22-9)11(20)18-4-6-19(7-5-18)12(21)17-8-13(14,15)16/h2-3H,4-8H2,1H3,(H,17,21)","","2021-02-01","2021-02-12","4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide","2021-02-17"],["L4C","(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID","C10 H14 N2 O8","O=C(O)C(=NOCC(NC(=O)C)C(=O)O)CCC(=O)O;CC(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O;CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1","LACTIVICIN","2007-01-15","2024-09-27","(2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid",""],["Y2W","[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid","C7 H15 N O6 S","N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O;C1C(C(C(C(C1O)O)O)CS(=O)(=O)O)N","InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1","","2023-11-16","2024-09-27","[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid","2024-05-08"],["L4D","{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)","C17 H21 Fe N4 O2","O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2ccccn23)C)C5;CN12|[Fe++]|3|4(OC(=O)CN|3(CC1)Cc5ccccn|45)|n6ccccc6C2;C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4","InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);/q;+3/p-1","{N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+)","2012-12-13","2021-03-13","{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)","2013-04-17"],["Y2Y","(3S,4R)-3-amino-4-hydroxyheptanedioic acid","C7 H13 N O5","NC(CC(O)=O)C(CCC(=O)O)O;N[CH](CC(O)=O)[CH](O)CCC(O)=O;C(CC(=O)O)C(C(CC(=O)O)N)O","InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1","","2020-06-02","2024-09-27","(3S,4R)-3-amino-4-hydroxyheptanedioic acid","2021-06-02"],["L4E","geranylgeranyl dihydroxybenzoate","C27 H38 O4","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(=O)O)C)C)C)C","InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+","","2019-07-19","2020-07-10","3,4-bis(oxidanyl)-5-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid","2020-07-15"],["Y2Z","(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide","C19 H16 Cl F3 N4 O4","NC(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(OC(F)(F)F)cc1;CN1C(=O)NN=C1COc2cc(C)c(Cl)cc2c3cc(ccc3OC(F)(F)F)C(N)=O;Cc1cc(c(cc1Cl)c2cc(ccc2OC(F)(F)F)C(=O)N)OCC3=NNC(=O)N3C","InChI=1S/C19H16ClF3N4O4/c1-9-5-15(30-8-16-25-26-18(29)27(16)2)12(7-13(9)20)11-6-10(17(24)28)3-4-14(11)31-19(21,22)23/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,29)","","2023-06-09","2024-12-13","(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide","2024-12-18"],["L4F","2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate","C41 H49 N7 O6 S","NC(=N)Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5;c1ccc(cc1)CCC(CCS(=O)(=O)c2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)N4CCN(CC4)CCOC(=O)c5ccc(cc5)NC(=N)N","InChI=1S/C41H49N7O6S/c42-40(43)45-34-20-17-33(18-21-34)39(50)54-28-27-47-23-25-48(26-24-47)41(51)46-37(30-32-12-6-2-7-13-32)38(49)44-35(19-16-31-10-4-1-5-11-31)22-29-55(52,53)36-14-8-3-9-15-36/h1-15,17-18,20-21,35,37H,16,19,22-30H2,(H,44,49)(H,46,51)(H4,42,43,45)/t35-,37-/m0/s1","","2022-11-10","2024-09-27","2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate","2023-12-13"],["A1IAE","(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone","C21 H13 Cl O3 S","Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(Cl)cc4;c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)Cl)O","InChI=1S/C21H13ClO3S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,23-24H","(4-Chlorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone","2024-05-07","2025-04-11","(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone","2025-04-16"],["L4G","6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL","C30 H31 N O5 S","O=S(=O)(c1ccc(cc1)c5ccc2c(ccc(O)c2)c5Oc4ccc(OCCN3CCCCC3)cc4)C;C[S](=O)(=O)c1ccc(cc1)c2ccc3cc(O)ccc3c2Oc4ccc(OCCN5CCCCC5)cc4;CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O","InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3","","2005-11-11","2011-06-04","6-[4-(methylsulfonyl)phenyl]-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol",""],["Y3","4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID","C12 H11 N O8 S2","O=S(=O)(O)c1cc(NC(=O)C)c2c(c1)cc(cc2O)S(=O)(=O)O;CC(=O)Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O;CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O","InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)","","1999-07-08","2011-06-04","4-(acetylamino)-5-hydroxynaphthalene-2,7-disulfonic acid",""],["A1IAF","[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone","C27 H26 N2 O4 S","Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccccc4NCCN5CCOCC5;c1ccc(c(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O)NCCN5CCOCC5","InChI=1S/C27H26N2O4S/c30-19-7-5-18(6-8-19)27-25(22-10-9-20(31)17-24(22)34-27)26(32)21-3-1-2-4-23(21)28-11-12-29-13-15-33-16-14-29/h1-10,17,28,30-31H,11-16H2","[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]{2-[(2-morpholinoethyl)amino]phenyl}methanone","2024-05-07","2025-04-11","[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone","2025-04-16"],["A1IAQ","2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol","C6 H11 N3 O","Cc1ncc(N)n1CCO;Cc1ncc(n1CCO)N","InChI=1S/C6H11N3O/c1-5-8-4-6(7)9(5)2-3-10/h4,10H,2-3,7H2,1H3","","2024-05-08","2025-05-09","2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol","2025-05-14"],["Y30","3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid","C30 H29 Cl2 N3 O5","Clc1ccc(cc1)COc2ccc(cc2)CN(C=O)C(c4c3ccc(Cl)cc3nc4C(=O)O)C(=O)NC(C)(C)C;CC(C)(C)NC(=O)[CH](N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c3c([nH]c4cc(Cl)ccc34)C(O)=O;CC(C)(C)NC(=O)C(c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O","InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1","","2013-09-11","2013-11-08","3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid","2013-11-13"],["L4H","farnesyl dihydroxybenzoate","C22 H30 O4","CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O;CC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(=O)O)C)C)C","InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+","","2019-07-19","2020-07-10","3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid","2020-07-15"],["L4I","4-(2-chloroethyl)benzoic acid","C9 H9 Cl O2","ClCCc1ccc(cc1)C(=O)O;OC(=O)c1ccc(CCCl)cc1;c1cc(ccc1CCCl)C(=O)O","InChI=1S/C9H9ClO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)","","2022-02-28","2023-03-10","4-(2-chloroethyl)benzoic acid","2023-03-15"],["Y31","5-bromopyridine-3-carboxylic acid","C6 H4 Br N O2","c1(Br)cc(cnc1)C(O)=O;OC(=O)c1cncc(Br)c1;c1c(cncc1Br)C(=O)O","InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)","","2021-02-01","2021-02-12","5-bromopyridine-3-carboxylic acid","2021-02-17"],["Y32","(2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid","C18 H18 N2 O5","NC(=O)CC[CH](NC(=O)c1cccc(Oc2ccccc2)c1)C(O)=O;c1ccc(cc1)Oc2cccc(c2)C(=O)NC(CCC(=O)N)C(=O)O","InChI=1S/C18H18N2O5/c19-16(21)10-9-15(18(23)24)20-17(22)12-5-4-8-14(11-12)25-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,19,21)(H,20,22)(H,23,24)/t15-/m0/s1","","2023-11-16","2024-01-12","(2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid","2024-01-17"],["A1IAU","2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid","C13 H11 N O4","Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2;c1cc(cc(c1)O)c2cc(c(c(c2)O)N)C(=O)O","InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)","2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid","2024-05-09","2024-10-04","2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid","2024-10-09"],["L4J","N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide","C34 H52 N4 O4 S","c32cccc(CC(NC(=O)c1cc(cc(c1)CCCC2)N(CCC)S(=O)(C)=O)CNC(C(=O)NCC(C)C)CCCC)c3;CCCC[CH](NC[CH]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C(=O)NCC(C)C;CCCCC(C(=O)NCC(C)C)NCC1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1","InChI=1S/C34H52N4O4S/c1-6-8-16-32(34(40)36-23-25(3)4)35-24-30-20-27-15-11-14-26(18-27)12-9-10-13-28-19-29(33(39)37-30)22-31(21-28)38(17-7-2)43(5,41)42/h11,14-15,18-19,21-22,25,30,32,35H,6-10,12-13,16-17,20,23-24H2,1-5H3,(H,36,40)(H,37,39)/t30-,32-/m0/s1","","2019-02-06","2019-10-04","N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide","2019-10-09"],["Y33","(5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","C17 H27 N3 O6 S","CC1(CC(SC2CC(NC2)C(=O)N(C)C)=C(N1)C(=O)O)C(C(O)C)C(=O)O;C[CH](O)[CH](C(O)=O)[C]1(C)CC(=C(N1)C(O)=O)S[CH]2CN[CH](C2)C(=O)N(C)C;CC(C(C(=O)O)C1(CC(=C(N1)C(=O)O)SC2CC(NC2)C(=O)N(C)C)C)O","InChI=1S/C17H27N3O6S/c1-8(21)12(15(23)24)17(2)6-11(13(19-17)16(25)26)27-9-5-10(18-7-9)14(22)20(3)4/h8-10,12,18-19,21H,5-7H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,12+,17-/m1/s1","","2023-01-03","2024-09-27","(5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","2023-10-11"],["L4K","4-pentylbenzenesulfonamide","C11 H17 N O2 S","CCCCCc1ccc(cc1)[S](N)(=O)=O;CCCCCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)","","2019-07-21","2020-04-03","4-pentylbenzenesulfonamide","2020-04-08"],["A1IAV","2-azanyl-5-(4-fluorophenyl)benzoic acid","C13 H10 F N O2","Nc1ccc(cc1C(O)=O)c2ccc(F)cc2;c1cc(ccc1c2ccc(c(c2)C(=O)O)N)F","InChI=1S/C13H10FNO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H,16,17)","2-amino-5-(4-fluorophenyl)benzoic acid","2024-05-09","2024-10-04","2-azanyl-5-(4-fluorophenyl)benzoic acid","2024-10-09"],["A1IAY","2-azanyl-5-(3-hydroxyphenyl)benzoic acid","C13 H11 N O3","Nc1ccc(cc1C(O)=O)c2cccc(O)c2;c1cc(cc(c1)O)c2ccc(c(c2)C(=O)O)N","InChI=1S/C13H11NO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,14H2,(H,16,17)","2-amino-5-(3-hydroxyphenyl)benzoic acid","2024-05-09","2024-10-04","2-azanyl-5-(3-hydroxyphenyl)benzoic acid","2024-10-09"],["Y34","2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid","C7 H6 O4 S","C2COc1c(csc1C(=O)O)O2;OC(=O)c1scc2OCCOc12;c1c2c(c(s1)C(=O)O)OCCO2","InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)","","2021-02-01","2021-02-12","2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid","2021-02-17"],["L4L","[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate","C13 H21 N O11 S","CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(=O)C=C;CC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(=O)C=C","InChI=1S/C13H21NO11S/c1-3-8(17)7(14-6(2)16)5-23-13-11(19)12(25-26(20,21)22)10(18)9(4-15)24-13/h3,7,9-13,15,18-19H,1,4-5H2,2H3,(H,14,16)(H,20,21,22)/t7-,9+,10-,11+,12-,13+/m0/s1","","2022-06-15","2022-08-22","[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate","2022-07-20"],["Y35","(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)","C44 H46 B N4 O5","O=C(N2CCC(c1cc(ccc1)CN)CC2)c3cccc(c3)c4cc(ccc4)[B-]5(Oc6c(O5)cc(cc6)C(=O)N7CCC(CC7)c8cc(ccc8)CN)O;NCc1cccc(c1)[CH]2CCN(CC2)C(=O)c3cccc(c3)c4cccc(c4)[B-]5(O)Oc6ccc(cc6O5)C(=O)N7CC[CH](CC7)c8cccc(CN)c8;[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O","InChI=1S/C44H46BN4O5/c46-28-30-5-1-7-34(23-30)32-15-19-48(20-16-32)43(50)38-11-3-9-36(25-38)37-10-4-12-40(26-37)45(52)53-41-14-13-39(27-42(41)54-45)44(51)49-21-17-33(18-22-49)35-8-2-6-31(24-35)29-47/h1-14,23-27,32-33,52H,15-22,28-29,46-47H2/q-1/t45-/m1/s1","","2019-05-20","2020-03-20","(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)","2020-03-25"],["L4M","4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid","C15 H18 O4","C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O;OC(=O)C[CH]1CCC[CH]1Cc2ccc(cc2)C(O)=O;c1cc(ccc1CC2CCCC2CC(=O)O)C(=O)O","InChI=1S/C15H18O4/c16-14(17)9-13-3-1-2-12(13)8-10-4-6-11(7-5-10)15(18)19/h4-7,12-13H,1-3,8-9H2,(H,16,17)(H,18,19)/t12-,13-/m0/s1","","2019-02-06","2020-02-07","4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid","2020-02-12"],["Y36","N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide","C29 H30 N6 O3 S","c2(cc(C1=CN(C(C(=C1)NC)=O)C)cc3c2ccn3C(c4ncccc4)(c5ncccc5)C)NS(CC)(=O)=O;CC[S](=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c3ccccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC;CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C","InChI=1S/C29H30N6O3S/c1-5-39(37,38)33-23-16-20(21-17-24(30-3)28(36)34(4)19-21)18-25-22(23)12-15-35(25)29(2,26-10-6-8-13-31-26)27-11-7-9-14-32-27/h6-19,30,33H,5H2,1-4H3","","2020-07-30","2021-06-18","N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide","2021-06-23"],["L4N","(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide","C14 H18 N2 O","O=C(Nc1cnccc1C)C1CCC2(CC2)C1;Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2;Cc1ccncc1NC(=O)C2CCC3(C2)CC3","InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1","","2023-08-15","2023-11-03","(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide","2023-11-08"],["L4O","tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate","C10 H18 N2 O2","CC(C)(C)OC(=O)N1CC2CC1CN2;CC(C)(C)OC(=O)N1C[CH]2C[CH]1CN2;CC(C)(C)OC(=O)N1CC2CC1CN2","InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1","","2022-02-28","2022-09-30","tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate","2022-10-05"],["Y37","(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid","C14 H18 F N2 O7 P","C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F;Cc1ncc(CO[P](O)(O)=O)c(CNC2=C[CH](C[CH]2F)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC(CC2F)C(=O)O)O","InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1","","2021-02-01","2024-09-27","(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid","2022-02-16"],["Y38","N-[2-(benzoylamino)ethyl]-N-(biphenyl-4-ylsulfonyl)-D-valine","C26 H28 N2 O5 S","O=S(=O)(N(C(C(=O)O)C(C)C)CCNC(=O)c1ccccc1)c3ccc(c2ccccc2)cc3;CC(C)[CH](N(CCNC(=O)c1ccccc1)[S](=O)(=O)c2ccc(cc2)c3ccccc3)C(O)=O;CC(C)C(C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3","InChI=1S/C26H28N2O5S/c1-19(2)24(26(30)31)28(18-17-27-25(29)22-11-7-4-8-12-22)34(32,33)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24H,17-18H2,1-2H3,(H,27,29)(H,30,31)/t24-/m1/s1","","2012-09-25","2013-04-19","N-[2-(benzoylamino)ethyl]-N-(biphenyl-4-ylsulfonyl)-D-valine","2013-04-24"],["A1IBD","~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide","C10 H16 N2 O2 S","C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1;Cc1ccc(cc1)S(=O)(=O)NCC(C)N","InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1","","2024-05-10","2024-06-28","~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide","2024-07-03"],["L4P","3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL","C46 H95 O8 P","O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](O)CO)OCC[CH](C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(CO)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1","2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL","1999-09-22","2020-06-17","(2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate",""],["Y39","(1S,2S)-2-nonylcyclopropanecarboxylic acid","C13 H24 O2","O=C(O)C1CC1CCCCCCCCC;CCCCCCCCC[CH]1C[CH]1C(O)=O;CCCCCCCCCC1CC1C(=O)O","InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m0/s1","","2014-05-02","2014-11-14","(1S,2S)-2-nonylcyclopropanecarboxylic acid","2014-11-19"],["L4Q","4-hexylbenzenesulfonamide","C12 H19 N O2 S","CCCCCCc1ccc(cc1)[S](N)(=O)=O;CCCCCCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C12H19NO2S/c1-2-3-4-5-6-11-7-9-12(10-8-11)16(13,14)15/h7-10H,2-6H2,1H3,(H2,13,14,15)","","2019-07-21","2020-08-21","4-hexylbenzenesulfonamide","2020-08-26"],["L4R","Fmoc-(R)-2-(7-octenyl)alanine","C11 H21 N O2","C[C](N)(CCCCCCC=C)C(O)=O;CC(CCCCCCC=C)(C(=O)O)N","InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1","","2022-06-16","2024-09-27","(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid","2022-07-20"],["Y3A","N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide","C22 H26 Cl N3 O5","ClCC(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2;O[CH](CCl)[CH](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2;c1ccc(cc1)CC(C(CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2","InChI=1S/C22H26ClN3O5/c23-12-19(27)18(11-16-7-3-1-4-8-16)26-21(29)14-24-20(28)13-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-/m0/s1","Z-Gly-Gly-Phe-Chloromethyl ketone (bound form)","2013-01-28","2024-09-27","N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide","2013-05-08"],["A1IBQ","~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide","C14 H14 F2 N2 O2 S","N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2;c1ccc(cc1)C(CNS(=O)(=O)c2cc(cc(c2)F)F)N","InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1","","2024-05-14","2024-06-28","~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide","2024-07-03"],["L4S","2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine","C25 H29 N7 O6","C(=O)(Nc3nnn(CC2C(CC(N1C=CC(N)=NC1=O)O2)O)c3)CC5CCCC5C(c4ccccc4O)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](Cn3cc(NC(=O)C[CH]4CCC[CH]4C(=O)c5ccccc5O)nn3)O2;c1ccc(c(c1)C(=O)C2CCCC2CC(=O)Nc3cn(nn3)CC4C(CC(O4)N5C=CC(=NC5=O)N)O)O","InChI=1S/C25H29N7O6/c26-20-8-9-32(25(37)27-20)23-11-18(34)19(38-23)12-31-13-21(29-30-31)28-22(35)10-14-4-3-6-15(14)24(36)16-5-1-2-7-17(16)33/h1-2,5,7-9,13-15,18-19,23,33-34H,3-4,6,10-12H2,(H,28,35)(H2,26,27,37)/t14-,15+,18-,19+,23+/m0/s1","","2019-02-06","2020-02-07","2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine","2020-02-12"],["Y3B","[4-cyano-2-(2,2-dimethylpropanamido)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C27 H29 N7 O4","CC(C)(C)C(=O)Nc1cc(C#N)ccc1COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N;CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)C#N","InChI=1S/C27H29N7O4/c1-27(2,3)25(36)29-22-8-16(10-28)4-5-18(22)15-38-26(37)34-13-19-11-33(12-20(19)14-34)24(35)17-6-7-21-23(9-17)31-32-30-21/h4-9,19-20H,11-15H2,1-3H3,(H,29,36)(H,30,31,32)","","2023-06-09","2024-12-13","[4-cyano-2-(2,2-dimethylpropanamido)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1IBR","~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide","C15 H16 F2 N2 O2 S","CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2;CN(CC(c1ccccc1)N)S(=O)(=O)c2cc(cc(c2)F)F","InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1","","2024-05-14","2024-06-28","~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide","2024-07-03"],["A1IBU","2-hydroxy-3-keto-glucal","C6 H8 O5","OC[CH]1OC=C(O)C(=O)[CH]1O;C1=C(C(=O)C(C(O1)CO)O)O","InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1","(2~{R},3~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one","2024-05-14","2025-10-24","(2~{R},3~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one","2025-10-29"],["Y3C","(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid","C22 H23 N3 O5","NC(=O)CC[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O;c1ccc(cc1)CC(C(=O)NC(CCC(=O)N)C(=O)O)N2Cc3ccccc3C2=O","InChI=1S/C22H23N3O5/c23-19(26)11-10-17(22(29)30)24-20(27)18(12-14-6-2-1-3-7-14)25-13-15-8-4-5-9-16(15)21(25)28/h1-9,17-18H,10-13H2,(H2,23,26)(H,24,27)(H,29,30)/t17-,18-/m0/s1","","2023-11-16","2024-01-12","(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid","2024-01-17"],["L4T","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide","C40 H49 Br N6 O9 S","O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O)NC1(C(=O)O)CC1/C=C)N(C(=O)C(NC(=O)OC2CCCC2)C(C)(C)C)C3)c4)ccc(OC)c5Br)cs6)C(C)C;COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C=C)C(O)=O)cc(nc2c1Br)c6csc(NC(=O)C(C)C)n6;CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O","InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1","","2010-10-20","2012-10-01","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide",""],["Y3D","(1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid","C14 H17 N2 O8 P","[C@H](c1c(cnc(C)c1O)COP(=O)(O)O)=NC2CC(CC2=O)C(O)=O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]2C[CH](CC2=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2CC(CC2=O)C(=O)O)O","InChI=1S/C14H17N2O8P/c1-7-13(18)10(9(4-15-7)6-24-25(21,22)23)5-16-11-2-8(14(19)20)3-12(11)17/h4-5,8,11,18H,2-3,6H2,1H3,(H,19,20)(H2,21,22,23)/b16-5+/t8-,11+/m1/s1","","2021-02-01","2022-02-11","(1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid","2022-02-16"],["L4U","(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide","C13 H20 N2 O","O=C(Nc1cnccc1C)CC(C)C(C)C;CC(C)[CH](C)CC(=O)Nc1cnccc1C;Cc1ccncc1NC(=O)CC(C)C(C)C","InChI=1S/C13H20N2O/c1-9(2)11(4)7-13(16)15-12-8-14-6-5-10(12)3/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m0/s1","","2023-08-15","2023-11-03","(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide","2023-11-08"],["A1IBV","5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one","C17 H16 Cl N3 O","CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3;CC1=CC(=CN(C1=O)C)c2nc(cn2Cc3ccccc3)Cl","InChI=1S/C17H16ClN3O/c1-12-8-14(10-20(2)17(12)22)16-19-15(18)11-21(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3","","2024-05-15","2024-06-21","5-[4-chloranyl-1-(phenylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one","2024-06-26"],["Y3E","4-phenyl-1,3-thiazole-2(3H)-thione","C9 H7 N S2","S=C1NC(=CS1)c1ccccc1;S=C1NC(=CS1)c2ccccc2;c1ccc(cc1)C2=CSC(=S)N2","InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)","","2023-01-03","2023-02-24","4-phenyl-1,3-thiazole-2(3H)-thione","2023-03-01"],["A1IBY","3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide","C13 H11 Cl N2 O","Clc1cccc(c1)C(=O)NCc2ccccn2;c1ccnc(c1)CNC(=O)c2cccc(c2)Cl","InChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)","","2024-05-20","2025-05-23","3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide","2025-05-28"],["L4V","13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione","C18 H22 Cl N O4","O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCC=CCCCN2C;CN1CCCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O;CN1CCCC=CCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O","InChI=1S/C18H22ClNO4/c1-20-9-7-5-3-2-4-6-8-12(21)10-13-16(18(20)24)14(22)11-15(23)17(13)19/h2-3,11,22-23H,4-10H2,1H3/b3-2-","","2013-11-08","2014-04-30","(6Z)-13-chloro-14,16-dihydroxy-2-methyl-3,4,5,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione","2014-01-29"],["Y3F","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone","C27 H25 N5 O3","COc1cc(cc2ccccc21)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1;COc1cc(cc2ccccc12)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;COc1cc(cc2c1cccc2)C(=O)N3CC4C5CN(CC5C4C3)C(=O)c6ccc7c(c6)nn[nH]7","InChI=1S/C27H25N5O3/c1-35-25-10-17(8-15-4-2-3-5-18(15)25)27(34)32-13-21-19-11-31(12-20(19)22(21)14-32)26(33)16-6-7-23-24(9-16)29-30-28-23/h2-10,19-22H,11-14H2,1H3,(H,28,29,30)/t19-,20+,21+,22-","","2023-06-09","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone","2024-12-18"],["A1IBZ","(2~{S})-2-acetamido-~{N}-[(2~{S},3~{R})-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]-6-[[(3~{R})-3-(3,4-dichlorophenyl)sulfanylbutanoyl]amino]hexanamide","C22 H32 Cl2 N4 O5 S","C[CH](O)[CH](NC(=O)[CH](CCCCNC(=O)C[CH](C)Sc1ccc(Cl)c(Cl)c1)NC(C)=O)C(N)=O;CC(CC(=O)NCCCCC(C(=O)NC(C(C)O)C(=O)N)NC(=O)C)Sc1ccc(c(c1)Cl)Cl","InChI=1S/C22H32Cl2N4O5S/c1-12(34-15-7-8-16(23)17(24)11-15)10-19(31)26-9-5-4-6-18(27-14(3)30)22(33)28-20(13(2)29)21(25)32/h7-8,11-13,18,20,29H,4-6,9-10H2,1-3H3,(H2,25,32)(H,26,31)(H,27,30)(H,28,33)/t12-,13-,18+,20+/m1/s1","","2024-05-20","2025-05-23","(2~{S})-2-acetamido-~{N}-[(2~{S},3~{R})-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]-6-[[(3~{R})-3-(3,4-dichlorophenyl)sulfanylbutanoyl]amino]hexanamide","2025-05-28"],["L4W","4-pentoxybenzenesulfonamide","C11 H17 N O3 S","CCCCCOc1ccc(cc1)[S](N)(=O)=O;CCCCCOc1ccc(cc1)S(=O)(=O)N","InChI=1S/C11H17NO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)","","2019-07-21","2020-08-21","4-pentoxybenzenesulfonamide","2020-08-26"],["Y3G","5-ethynylpyrimidine-2,4(1H,3H)-dione","C6 H4 N2 O2","C#CC=1C(NC(NC=1)=O)=O;O=C1NC=C(C#C)C(=O)N1;C#CC1=CNC(=O)NC1=O","InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)","","2021-02-01","2024-09-27","5-ethynylpyrimidine-2,4(1H,3H)-dione","2021-04-07"],["L4X","Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide","C31 H36 N4 O3","CNC(=O)C(Cc1ccc(C)cc1)NC(=O)C(C/C=C/c1ccccc1)NC(=O)CNCc1ccccc1;CNC(=O)[CH](Cc1ccc(C)cc1)NC(=O)[CH](CC=Cc2ccccc2)NC(=O)CNCc3ccccc3;Cc1ccc(cc1)CC(C(=O)NC)NC(=O)C(CC=Cc2ccccc2)NC(=O)CNCc3ccccc3","InChI=1S/C31H36N4O3/c1-23-16-18-25(19-17-23)20-28(30(37)32-2)35-31(38)27(15-9-14-24-10-5-3-6-11-24)34-29(36)22-33-21-26-12-7-4-8-13-26/h3-14,16-19,27-28,33H,15,20-22H2,1-2H3,(H,32,37)(H,34,36)(H,35,38)/b14-9+/t27-,28+/m1/s1","","2022-02-28","2022-09-30","Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide","2022-10-05"],["A1ICA","(2E)-3-(4-chlorophenyl)prop-2-enal","C9 H9 Cl O","OCC=Cc1ccc(Cl)cc1;c1cc(ccc1C=CCO)Cl","InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+","(~{E})-3-(4-chlorophenyl)prop-2-en-1-ol","2024-05-21","2025-03-07","(~{E})-3-(4-chlorophenyl)prop-2-en-1-ol","2025-03-12"],["Y3H","~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","C16 H22 O5","CC(C)(C)OC(=O)[CH]1C[C](C)(CCC1=O)C(=O)OCC#C;CC1(CCC(=O)C(C1)C(=O)OC(C)(C)C)C(=O)OCC#C","InChI=1S/C16H22O5/c1-6-9-20-14(19)16(5)8-7-12(17)11(10-16)13(18)21-15(2,3)4/h1,11H,7-10H2,2-5H3/t11-,16-/m0/s1","","2023-11-16","2024-11-22","~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","2024-11-27"],["L4Y","(5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide","C19 H22 N4 O3","C4c3c(c(C(=O)NC1C(N(c2c(OC1)cccc2)C)=O)nn3)CC(C4)C;C[CH]1CCc2n[nH]c(C(=O)N[CH]3COc4ccccc4N(C)C3=O)c2C1;CC1CCc2c(c([nH]n2)C(=O)NC3COc4ccccc4N(C3=O)C)C1","InChI=1S/C19H22N4O3/c1-11-7-8-13-12(9-11)17(22-21-13)18(24)20-14-10-26-16-6-4-3-5-15(16)23(2)19(14)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,14+/m1/s1","","2019-02-06","2019-04-26","(5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide","2019-05-01"],["A1ICE","4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic acid","C16 H15 N O4","COc1ccccc1CON=Cc2ccc(cc2)C(O)=O;COc1ccccc1CON=Cc2ccc(cc2)C(=O)O","InChI=1S/C16H15NO4/c1-20-15-5-3-2-4-14(15)11-21-17-10-12-6-8-13(9-7-12)16(18)19/h2-10H,11H2,1H3,(H,18,19)/b17-10-","","2024-05-23","2025-05-30","4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic acid","2025-06-04"],["Y3I","(3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile","C19 H19 Cl N6","N#Cc1cccc(c1)c1c2c(ncnc2[NH]c1Cl)N1CC(C)CC(N)C1;C[CH]1C[CH](N)CN(C1)c2ncnc3[nH]c(Cl)c(c4cccc(c4)C#N)c23;CC1CC(CN(C1)c2c3c(c([nH]c3ncn2)Cl)c4cccc(c4)C#N)N","InChI=1S/C19H19ClN6/c1-11-5-14(22)9-26(8-11)19-16-15(13-4-2-3-12(6-13)7-21)17(20)25-18(16)23-10-24-19/h2-4,6,10-11,14H,5,8-9,22H2,1H3,(H,23,24,25)/t11-,14+/m0/s1","","2023-01-03","2023-03-31","(3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile","2023-04-05"],["L4Z","(2,5-dimethylpyrazol-3-yl)methylcarbamic acid","C7 H11 N3 O2","Cn1nc(C)cc1CNC(O)=O;Cc1cc(n(n1)C)CNC(=O)O","InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)","","2019-07-22","2020-08-21","(2,5-dimethylpyrazol-3-yl)methylcarbamic acid","2020-08-26"],["A1ICF","2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid","C15 H12 Cl N O3","OC(=O)c1ccccc1C=NOCc2ccccc2Cl;c1ccc(c(c1)CON=Cc2ccccc2C(=O)O)Cl","InChI=1S/C15H12ClNO3/c16-14-8-4-2-6-12(14)10-20-17-9-11-5-1-3-7-13(11)15(18)19/h1-9H,10H2,(H,18,19)/b17-9+","(E)-2-((((2-chlorobenzyl)oxy)imino)methyl)benzoic acid","2024-05-23","2025-05-30","2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid","2025-06-04"],["Y3J","5,5-DIFLUOROMETHYL ADENOSINE","C10 H11 F2 N5 O3","Nc1ncnc2n(cnc12)[CH]3O[CH](C(F)F)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(F)F)O)O)N","InChI=1S/C10H11F2N5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-7,10,18-19H,(H2,13,14,15)/t4-,5-,6-,10+/m0/s1","","2015-10-05","2015-12-18","(2R,4S,5S)-2-(6-aminopurin-9-yl)-5-[bis(fluoranyl)methyl]oxolane-3,4-diol","2015-12-23"],["L50","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid","C15 H24 N O5 P","O=P(O)(O)CC(CC(=O)N(C)O)CCCc1ccc(cc1)C;CN(O)C(=O)C[CH](CCCc1ccc(C)cc1)C[P](O)(O)=O;Cc1ccc(cc1)CCCC(CC(=O)N(C)O)CP(=O)(O)O","InChI=1S/C15H24NO5P/c1-12-6-8-13(9-7-12)4-3-5-14(11-22(19,20)21)10-15(17)16(2)18/h6-9,14,18H,3-5,10-11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1","","2016-04-29","2016-08-18","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid","2016-08-23"],["L51","1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","C30 H31 N7 O","O=C(Nc3cccc(Nc1c2cc(N)ccc2ncc1)c3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3cccc(Nc4ccnc5ccc(N)cc45)c3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N","InChI=1S/C30H31N7O/c1-19-8-11-23(12-9-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-7-5-6-21(17-22)33-26-14-15-32-25-13-10-20(31)16-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)","","2009-06-16","2011-06-04","1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea",""],["Y3K","6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one","C32 H39 N5 O5","O=C1Nc2ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;CN1C(=O)Nc2ccc(cc12)C(=O)N3C[CH]4CCN(CC[CH]4C3)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7;CN1c2cc(ccc2NC1=O)C(=O)N3CC4CCN(CCC4C3)C(=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7","InChI=1S/C32H39N5O5/c1-35-28-15-22(4-5-26(28)34-32(35)40)30(38)37-17-23-6-10-36(11-7-24(23)18-37)31(39)25-14-27(21-2-3-21)33-29(16-25)42-19-20-8-12-41-13-9-20/h4-5,14-16,20-21,23-24H,2-3,6-13,17-19H2,1H3,(H,34,40)","","2023-06-09","2024-12-13","6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one","2024-12-18"],["A1ICO","7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one","C34 H37 N7 O3 S","Cn1ccc2C(=O)N(CC3(O)CCN(CC3)C(=O)[CH]4CCN(C[CH]4c5ccccc5)Cc6sc(cn6)c7ccncc7)C=Nc12;Cn1ccc2c1N=CN(C2=O)CC3(CCN(CC3)C(=O)C4CCN(CC4c5ccccc5)Cc6ncc(s6)c7ccncc7)O","InChI=1S/C34H37N7O3S/c1-38-15-9-27-31(38)37-23-41(33(27)43)22-34(44)11-17-40(18-12-34)32(42)26-10-16-39(20-28(26)24-5-3-2-4-6-24)21-30-36-19-29(45-30)25-7-13-35-14-8-25/h2-9,13-15,19,23,26,28,44H,10-12,16-18,20-22H2,1H3/t26-,28+/m1/s1","","2024-06-03","2024-11-01","7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one","2024-11-06"],["L52","N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide","C20 H17 N3 O3","O=C(NC(C(=O)NO)CN)c2ccc(C#CC#Cc1ccccc1)cc2;NC[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)C(=O)NO;c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)NC(CN)C(=O)NO","InChI=1S/C20H17N3O3/c21-14-18(20(25)23-26)22-19(24)17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18,26H,14,21H2,(H,22,24)(H,23,25)/t18-/m0/s1","","2012-07-13","2013-05-10","N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide","2013-05-15"],["Y3L","N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE","C9 H7 Cl N2 O S","CC(=O)Nc1sc2cc(Cl)ccc2n1;CC(=O)Nc1nc2ccc(cc2s1)Cl","InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)","","2015-06-11","2016-06-24","N-(6-chloranyl-1,3-benzothiazol-2-yl)ethanamide","2016-06-29"],["L53","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide","C21 H17 N3 O4","O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)C(O)C;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O;CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O","InChI=1S/C21H17N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25H,22H2,1H3,(H,23,26)/t14-,19-/m0/s1","","2010-12-06","2011-06-04","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide",""],["Y3M","ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate","C25 H22 N4 O4 S","O=C(OCC)c6c5N=C1C(=C(O)CCC1)C(c4oc(Sc2nc3c(n2)cccc3)cc4)c5cn6;CCOC(=O)c1[nH]cc2[CH](c3oc(Sc4[nH]c5ccccc5n4)cc3)C6=C(O)CCCC6=Nc12;CCOC(=O)c1c2c(c[nH]1)C(C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5","InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26,30H,2,5,8-9H2,1H3,(H,28,29)/t20-/m1/s1","","2014-09-02","2014-11-14","ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate","2014-11-19"],["A1ICU","3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one","C27 H31 N3 O3","OC1(CCN(CC1)C(=O)[CH]2CCCC[CH]2c3ccccc3)CN4C=Nc5ccccc5C4=O;c1ccc(cc1)C2CCCCC2C(=O)N3CCC(CC3)(CN4C=Nc5ccccc5C4=O)O","InChI=1S/C27H31N3O3/c31-25(22-11-5-4-10-21(22)20-8-2-1-3-9-20)29-16-14-27(33,15-17-29)18-30-19-28-24-13-7-6-12-23(24)26(30)32/h1-3,6-9,12-13,19,21-22,33H,4-5,10-11,14-18H2/t21-,22+/m0/s1","","2024-06-04","2024-11-01","3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one","2024-11-06"],["Y3N","N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide","C10 H7 F3 N2 O","O=C(C)Nc1ccc(cc1C(F)(F)F)C#N;CC(=O)Nc1ccc(cc1C(F)(F)F)C#N;CC(=O)Nc1ccc(cc1C(F)(F)F)C#N","InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)","","2023-11-16","2024-02-09","N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide","2024-02-14"],["L54","{(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid","C15 H21 F3 N O5 P","O=C(CC(CP(O)(O)=O)CCCc1ccc(cc1)C(F)(F)F)N(O)C;CN(O)C(=O)C[CH](CCCc1ccc(cc1)C(F)(F)F)C[P](O)(O)=O;CN(C(=O)CC(CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O","InChI=1S/C15H21F3NO5P/c1-19(21)14(20)9-12(10-25(22,23)24)4-2-3-11-5-7-13(8-6-11)15(16,17)18/h5-8,12,21H,2-4,9-10H2,1H3,(H2,22,23,24)/t12-/m1/s1","","2016-04-30","2016-08-18","{(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid","2016-08-23"],["A1ICV","3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one","C33 H36 N4 O3","OC1(CCN(CC1)C(=O)[CH]2CCN(C[CH]2c3ccccc3)Cc4ccccc4)CN5C=Nc6ccccc6C5=O;c1ccc(cc1)CN2CCC(C(C2)c3ccccc3)C(=O)N4CCC(CC4)(CN5C=Nc6ccccc6C5=O)O","InChI=1S/C33H36N4O3/c38-31(27-15-18-35(21-25-9-3-1-4-10-25)22-29(27)26-11-5-2-6-12-26)36-19-16-33(40,17-20-36)23-37-24-34-30-14-8-7-13-28(30)32(37)39/h1-14,24,27,29,40H,15-23H2/t27-,29+/m0/s1","","2024-06-04","2024-11-01","3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one","2024-11-06"],["Y3O","(3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile","C19 H19 Cl N6","N#Cc1cccc(c1)c1c2c(ncnc2[NH]c1Cl)N1CC(N)CCC1C;C[CH]1CC[CH](N)CN1c2ncnc3[nH]c(Cl)c(c4cccc(c4)C#N)c23;CC1CCC(CN1c2c3c(c([nH]c3ncn2)Cl)c4cccc(c4)C#N)N","InChI=1S/C19H19ClN6/c1-11-5-6-14(22)9-26(11)19-16-15(13-4-2-3-12(7-13)8-21)17(20)25-18(16)23-10-24-19/h2-4,7,10-11,14H,5-6,9,22H2,1H3,(H,23,24,25)/t11-,14+/m0/s1","","2023-01-03","2023-03-31","(3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile","2023-04-05"],["L55","N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide","C26 H26 N6 O3 S","Cn1cc(cn1)C(=O)Nc2cccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)c2;Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C","InChI=1S/C26H26N6O3S/c1-17-10-18(2)29-26(28-17)36-16-24(33)30-21-7-4-6-19(11-21)15-35-23-9-5-8-22(12-23)31-25(34)20-13-27-32(3)14-20/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34)","","2017-11-15","2018-10-12","~{N}-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide","2018-10-17"],["A1ICW","3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one","C34 H38 N4 O3","OC1(CCN(CC1)C(=O)[CH]2CCN(CCc3ccccc3)C[CH]2c4ccccc4)CN5C=Nc6ccccc6C5=O;c1ccc(cc1)CCN2CCC(C(C2)c3ccccc3)C(=O)N4CCC(CC4)(CN5C=Nc6ccccc6C5=O)O","InChI=1S/C34H38N4O3/c39-32(37-21-17-34(41,18-22-37)24-38-25-35-31-14-8-7-13-29(31)33(38)40)28-16-20-36(19-15-26-9-3-1-4-10-26)23-30(28)27-11-5-2-6-12-27/h1-14,25,28,30,41H,15-24H2/t28-,30+/m1/s1","","2024-06-04","2024-11-01","3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one","2024-11-06"],["L56","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid","C15 H24 N O5 P","O=P(O)(O)CC(CC(=O)N(C)O)CCCc1cc(ccc1)C;CN(O)C(=O)C[CH](CCCc1cccc(C)c1)C[P](O)(O)=O;Cc1cccc(c1)CCCC(CC(=O)N(C)O)CP(=O)(O)O","InChI=1S/C15H24NO5P/c1-12-5-3-6-13(9-12)7-4-8-14(11-22(19,20)21)10-15(17)16(2)18/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1","","2016-05-03","2016-08-18","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid","2016-08-23"],["A1ICX","3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one","C36 H38 N6 O5 S","COc1cnccc1c2sc(cc2)C(=O)N3CC[CH]([CH](C3)c4ccccc4)C(=O)N5CCC(O)(CC5)CN6C=Nc7n(C)ccc7C6=O;Cn1ccc2c1N=CN(C2=O)CC3(CCN(CC3)C(=O)C4CCN(CC4c5ccccc5)C(=O)c6ccc(s6)c7ccncc7OC)O","InChI=1S/C36H38N6O5S/c1-39-16-11-27-32(39)38-23-42(34(27)44)22-36(46)13-18-40(19-14-36)33(43)25-12-17-41(21-28(25)24-6-4-3-5-7-24)35(45)31-9-8-30(48-31)26-10-15-37-20-29(26)47-2/h3-11,15-16,20,23,25,28,46H,12-14,17-19,21-22H2,1-2H3/t25-,28+/m1/s1","","2024-06-04","2024-11-01","3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one","2024-11-06"],["Y3P","(~{Z})-2-oxidanylbut-2-enedioic acid","C4 H4 O5","OC(=O)C=C(O)C(O)=O;C(=C(C(=O)O)O)C(=O)O","InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-","","2021-02-01","2021-02-12","(~{Z})-2-oxidanylbut-2-enedioic acid","2021-02-17"],["A1IDA","5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine","C16 H12 N4 S","Cn1ccc(n1)c2ccc3scc(c4ccncc4)c3n2;Cn1ccc(n1)c2ccc3c(n2)c(cs3)c4ccncc4","InChI=1S/C16H12N4S/c1-20-9-6-14(19-20)13-2-3-15-16(18-13)12(10-21-15)11-4-7-17-8-5-11/h2-10H,1H3","","2024-06-05","2024-09-06","5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine","2024-09-11"],["Y3Q","6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one","C15 H17 Cl N2 O2","CC(C)c1cc(Cl)c(C)cc1OCC=1C=CC(=O)NN=1;CC(C)c1cc(Cl)c(C)cc1OCC2=NNC(=O)C=C2;Cc1cc(c(cc1Cl)C(C)C)OCC2=NNC(=O)C=C2","InChI=1S/C15H17ClN2O2/c1-9(2)12-7-13(16)10(3)6-14(12)20-8-11-4-5-15(19)18-17-11/h4-7,9H,8H2,1-3H3,(H,18,19)","","2023-06-09","2024-12-13","6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one","2024-12-18"],["L57","({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid","C15 H11 Cl2 N O3","Clc2c(cc(/C(c1ccccc1)=NOCC(O)=O)cc2)Cl;OC(=O)CON=C(c1ccccc1)c2ccc(Cl)c(Cl)c2;c1ccc(cc1)C(=NOCC(=O)O)c2ccc(c(c2)Cl)Cl","InChI=1S/C15H11Cl2NO3/c16-12-7-6-11(8-13(12)17)15(18-21-9-14(19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)/b18-15-","","2015-10-07","2016-03-18","({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid","2016-03-23"],["L58","4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide","C17 H17 Br N2 O4","Brc2ccc(c1ccc(C(=O)NC(C(=O)NO)C(O)C)cc1)cc2;C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccc(Br)cc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O","InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1","","2012-07-13","2013-05-10","4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide","2013-05-15"],["A1IDB","5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine","C16 H12 N4 S","Cn1cc(cn1)c2ccc3scc(c4ccncc4)c3n2;Cn1cc(cn1)c2ccc3c(n2)c(cs3)c4ccncc4","InChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3","","2024-06-05","2024-09-06","5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine","2024-09-11"],["Y3R","ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate","C28 H31 N3 O5 S","O=C(OCC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc(c1)c1ccsc1;CCOC(=O)CCC(=O)NNC(=O)CCc1ccccc1C(=O)N[CH](C)c2cccc(c2)c3cscc3;CCOC(=O)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c2cccc(c2)c3ccsc3","InChI=1S/C28H31N3O5S/c1-3-36-27(34)14-13-26(33)31-30-25(32)12-11-20-7-4-5-10-24(20)28(35)29-19(2)21-8-6-9-22(17-21)23-15-16-37-18-23/h4-10,15-19H,3,11-14H2,1-2H3,(H,29,35)(H,30,32)(H,31,33)","","2023-11-17","2024-09-27","ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate","2024-04-03"],["L59","N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide","C19 H18 N2 O4","O=C(NC(C(=O)NO)C(O)C)c2ccc(C#Cc1ccccc1)cc2;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O","InChI=1S/C19H18N2O4/c1-13(22)17(19(24)21-25)20-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,22,25H,1H3,(H,20,23)(H,21,24)/t13-,17+/m1/s1","","2012-07-13","2013-05-10","N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide","2013-05-15"],["Y3S","(2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide","C18 H20 F N3 O3 S","COc1ccc(NC(=O)N2CCN(C[CH]2C)C(=O)c3sccc3F)cc1;CC1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F","InChI=1S/C18H20FN3O3S/c1-12-11-21(17(23)16-15(19)7-10-26-16)8-9-22(12)18(24)20-13-3-5-14(25-2)6-4-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,24)/t12-/m1/s1","","2021-02-03","2022-12-14","(2~{R})-4-(3-fluoranylthiophen-2-yl)carbonyl-~{N}-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide","2021-02-17"],["L5A","(4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid","C16 H20 O4","C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)=O;OC(=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)cc2;c1cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O","InChI=1S/C16H20O4/c17-15(18)9-12-6-4-11(5-7-12)8-13-2-1-3-14(13)10-16(19)20/h4-7,13-14H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1","","2019-02-06","2020-02-07","(4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid","2020-02-12"],["Y3T","N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide","C20 H23 Cl F N3 O3","Fc1ccc(NC(=O)c2ccc(OC)c(NC(=O)CCCN(C)C)c2)cc1Cl;COc1ccc(cc1NC(=O)CCCN(C)C)C(=O)Nc2ccc(F)c(Cl)c2;CN(C)CCCC(=O)Nc1cc(ccc1OC)C(=O)Nc2ccc(c(c2)Cl)F","InChI=1S/C20H23ClFN3O3/c1-25(2)10-4-5-19(26)24-17-11-13(6-9-18(17)28-3)20(27)23-14-7-8-16(22)15(21)12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27)(H,24,26)","","2023-01-03","2024-09-27","N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide","2024-02-28"],["A1IDF","~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine","C17 H15 N5 S","Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1;Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccncc4)C","InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)","","2024-06-05","2024-09-06","~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine","2024-09-11"],["A1IDQ","3-ethyl-~{N}-(8-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyridine-4-carboxamide","C18 H19 N3 O2","CCc1cnccc1C(=O)Nc2cc(C)c3NC(=O)CCc3c2;CCc1cnccc1C(=O)Nc2cc(c3c(c2)CCC(=O)N3)C","InChI=1S/C18H19N3O2/c1-3-12-10-19-7-6-15(12)18(23)20-14-8-11(2)17-13(9-14)4-5-16(22)21-17/h6-10H,3-5H2,1-2H3,(H,20,23)(H,21,22)","","2024-06-06","2025-11-14","3-ethyl-~{N}-(8-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyridine-4-carboxamide","2025-11-19"],["L5B","6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid","C31 H30 Cl2 F N O3","OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[CH]4CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1;c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)OC5CCN(C5)CCCF","InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1","","2019-07-22","2019-11-22","6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid","2019-11-27"],["Y3U","[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","C19 H24 N4 O10 S","CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)Cc3ccc(O)cc3)[CH](O)[CH]2O)C1=O;CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(Cc3ccc(cc3)O)N)O)O","InChI=1S/C19H24N4O10S/c1-22-14(25)6-7-23(19(22)29)18-16(27)15(26)13(33-18)9-32-34(30,31)21-17(28)12(20)8-10-2-4-11(24)5-3-10/h2-7,12-13,15-16,18,24,26-27H,8-9,20H2,1H3,(H,21,28)/t12-,13+,15+,16+,18+/m0/s1","","2018-08-10","2019-04-12","[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","2019-04-17"],["A1IDR","6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide","C23 H20 N2 O4 S","CN(C)c1ccc2cc(oc2c1)C(=O)N[S](=O)(=O)c3ccccc3c4ccccc4;CN(C)c1ccc2cc(oc2c1)C(=O)NS(=O)(=O)c3ccccc3c4ccccc4","InChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26)","","2024-06-06","2024-11-01","6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide","2024-11-06"],["L5C","N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide","C26 H26 N6 O3 S","Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)cc2;Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C","InChI=1S/C26H26N6O3S/c1-17-11-18(2)29-26(28-17)36-16-24(33)30-22-6-4-5-19(12-22)15-35-23-9-7-21(8-10-23)31-25(34)20-13-27-32(3)14-20/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34)","","2017-11-15","2018-10-12","~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide","2018-10-17"],["Y3V","(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide","C16 H24 N4 O2","N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C)C3;C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C;CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C","InChI=1S/C16H24N4O2/c1-12-11-19(15(21)14-4-3-7-18(14)2)8-9-20(12)16(22)17-10-13-5-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,17,22)/t12-/m0/s1","","2021-02-03","2021-02-12","(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["Y3W","3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate","C18 H28 O3","Oc1cc(C)cc(C)c1C(C)(C)CCOC(=O)C(C)(C)C;Cc1cc(C)c(c(O)c1)C(C)(C)CCOC(=O)C(C)(C)C;Cc1cc(c(c(c1)O)C(C)(C)CCOC(=O)C(C)(C)C)C","InChI=1S/C18H28O3/c1-12-10-13(2)15(14(19)11-12)18(6,7)8-9-21-16(20)17(3,4)5/h10-11,19H,8-9H2,1-7H3","","2023-06-09","2024-12-13","3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate","2024-12-18"],["A1IDU","6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid","C20 H16 N2 O7 S2","Nc1ccc2cc(cc(O)c2c1)[S](=O)(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O;c1cc(cc2c1cc(cc2O)S(=O)(=O)Nc3ccc4cc(cc(c4c3)O)S(=O)(=O)O)N","InChI=1S/C20H16N2O7S2/c21-13-3-1-11-5-15(9-19(23)17(11)7-13)30(25,26)22-14-4-2-12-6-16(31(27,28)29)10-20(24)18(12)8-14/h1-10,22-24H,21H2,(H,27,28,29)","","2024-06-06","2024-07-19","6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid","2024-07-24"],["L5D","3-(3-methylphenyl)benzoic acid","C14 H12 O2","Cc1cccc(c1)c2cccc(c2)C(O)=O;Cc1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)","","2017-07-27","2018-01-05","3-(3-methylphenyl)benzoic acid","2018-01-10"],["L5E","[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","C11 H14 Br2 N O2","[NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O;c1cc(c2c(c1Br)CCC(C(C2)(O)O)[NH3+])Br","InChI=1S/C11H13Br2NO2/c12-8-2-3-9(13)7-5-11(15,16)10(14)4-1-6(7)8/h2-3,10,15-16H,1,4-5,14H2/p+1/t10-/m0/s1","","2019-07-22","2020-03-20","[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","2020-03-25"],["Y3Y","(2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide","C14 H21 N3 O3 S","COCCNC(=O)N1CCN(C[CH]1C)C(=O)c2sccc2;CC1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2","InChI=1S/C14H21N3O3S/c1-11-10-16(13(18)12-4-3-9-21-12)6-7-17(11)14(19)15-5-8-20-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,19)/t11-/m1/s1","","2021-02-03","2022-12-14","(2~{R})-~{N}-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide","2021-02-17"],["A1IDV","3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide","C20 H29 F3 N2 O4 S2","CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1N[CH]2CCCCCCCC=CCC2)[S](N)(=O)=O;CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)NC2CCCCCCCC=CCC2","InChI=1S/C20H29F3N2O4S2/c1-2-30(26,27)20-16(22)15(21)19(31(24,28)29)17(23)18(20)25-14-12-10-8-6-4-3-5-7-9-11-13-14/h6,8,14,25H,2-5,7,9-13H2,1H3,(H2,24,28,29)/b8-6-/t14-/m0/s1","","2024-06-06","2024-12-13","3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide","2024-12-18"],["L5F","2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid","C30 H32 N4 O7 S","C[CH]1[N]2Cc3cc(OCCOCCn4nnc5c(C)c(ccc45)[CH](CC(O)=O)c6ccc(C)c1c6)ccc3O[S]2(=O)=O;Cc1ccc2cc1C(N3Cc4cc(ccc4OS3(=O)=O)OCCOCCn5c6ccc(c(c6nn5)C)C2CC(=O)O)C","InChI=1S/C30H32N4O7S/c1-18-4-5-21-15-25(18)20(3)34-17-22-14-23(6-9-28(22)41-42(34,37)38)40-13-12-39-11-10-33-27-8-7-24(26(21)16-29(35)36)19(2)30(27)31-32-33/h4-9,14-15,20,26H,10-13,16-17H2,1-3H3,(H,35,36)/t20-,26+/m1/s1","","2022-06-20","2022-08-22","2-[(1~{S},2~{R},8~{S})-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid","2022-07-13"],["Y3Z","(10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione","C26 H21 N O10 S2","Oc1cc(ccc1O)S(=O)(=O)c1ccc(cc1)CCN1c2cc(O)c(O)cc2c2cc(O)c(O)cc2S1(=O)=O;Oc1ccc(cc1O)[S](=O)(=O)c2ccc(CCN3c4cc(O)c(O)cc4c5cc(O)c(O)cc5[S]3(=O)=O)cc2;c1cc(ccc1CCN2c3cc(c(cc3-c4cc(c(cc4S2(=O)=O)O)O)O)O)S(=O)(=O)c5ccc(c(c5)O)O","InChI=1S/C26H21NO10S2/c28-20-6-5-16(9-21(20)29)38(34,35)15-3-1-14(2-4-15)7-8-27-19-12-24(32)22(30)10-17(19)18-11-23(31)25(33)13-26(18)39(27,36)37/h1-6,9-13,28-33H,7-8H2","","2023-01-03","2023-04-07","(10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione","2023-04-12"],["A1IDY","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(methylamino)propyl]amino]-2-azanyl-butanoic acid","C18 H30 N8 O5","CNCCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CNCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C18H30N8O5/c1-21-4-2-5-25(6-3-10(19)18(29)30)7-11-13(27)14(28)17(31-11)26-9-24-12-15(20)22-8-23-16(12)26/h8-11,13-14,17,21,27-28H,2-7,19H2,1H3,(H,29,30)(H2,20,22,23)/t10-,11+,13+,14+,17+/m0/s1","","2024-06-07","2025-06-13","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(methylamino)propyl]amino]-2-azanyl-butanoic acid","2025-06-18"],["L5G","7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline","C22 H17 N5 O2","n1c(ccc2nnc(n12)COc3c4ccc(OC)cc4ncc3)c5ccccc5;COc1ccc2c(OCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1;COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5","InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3","","2008-03-02","2011-06-04","7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline",""],["A1IDZ","[[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C13 H17 N2 O14 P3 Se","O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3;c1cc([se]c1)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C13H17N2O14P3Se/c16-8-4-11(15-5-7(10-2-1-3-33-10)12(17)14-13(15)18)27-9(8)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-3,5,8-9,11,16H,4,6H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t8-,9?,11-/m0/s1","","2024-06-07","2024-11-08","[[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-11-13"],["Y40","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone","C28 H28 N6 O4","COCCOc1cc(nc2ccccc12)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;COCCOc1cc(nc2ccccc12)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;COCCOc1cc(nc2c1cccc2)C(=O)N3CC4C5CN(CC5C4C3)C(=O)c6ccc7c(c6)nn[nH]7","InChI=1S/C28H28N6O4/c1-37-8-9-38-26-11-25(29-22-5-3-2-4-17(22)26)28(36)34-14-20-18-12-33(13-19(18)21(20)15-34)27(35)16-6-7-23-24(10-16)31-32-30-23/h2-7,10-11,18-21H,8-9,12-15H2,1H3,(H,30,31,32)","","2023-06-09","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone","2024-12-18"],["Y41","3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","C20 H20 N2 O","O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3;C[CH](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23;Cc1c(cccc1N)C(=O)NC(C)c2cccc3c2cccc3","InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1","","2020-08-04","2020-08-07","3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","2020-08-12"],["A1IE9","4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride","C18 H20 F N5 O3 S","F[S](=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1;c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3)S(=O)(=O)F","InChI=1S/C18H20FN5O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24)","","2024-06-19","2024-09-06","4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride","2024-09-11"],["L5H","~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide","C19 H12 F3 N5 O3","FC(F)(F)c1cc2NC(=O)C(=O)N(NC(=O)c3ccccc3)c2cc1n4ccnc4;c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4","InChI=1S/C19H12F3N5O3/c20-19(21,22)12-8-13-15(9-14(12)26-7-6-23-10-26)27(18(30)17(29)24-13)25-16(28)11-4-2-1-3-5-11/h1-10H,(H,24,29)(H,25,28)","","2019-07-22","2019-10-25","~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide","2019-10-30"],["Y43","2'-deoxyinosine 5'-triphosphate","C10 H15 N4 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)n1cnc2c1NC=NC2=O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=CNc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC=NC2=O","InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1","","2023-01-03","2023-04-28","2'-deoxyinosine 5'-(tetrahydrogen triphosphate)","2023-05-03"],["L5I","(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide","C13 H18 N2 O","O=C(Nc1cnccc1C)C(C)CC1CC1;C[CH](CC1CC1)C(=O)Nc2cnccc2C;Cc1ccncc1NC(=O)C(C)CC2CC2","InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1","","2023-08-15","2023-11-03","(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["A1IEA","N3-methyl adenosine-5'-monophosphate","C11 H17 N5 O7 P","C[n+]1cnc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12;C[n+]1cnc(c2c1n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C11H16N5O7P/c1-15-3-14-9(12)6-10(15)16(4-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/p+1/t5-,7-,8-,11-/m1/s1","[(2R,3S,4R,5R)-5-(6-azanyl-3-methyl-purin-3-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2024-06-13","2025-01-17","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-3-methyl-purin-3-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2025-01-22"],["Y44","N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C16 H18 N4 O2 S","N(Cc1cccnc1)C(N3CCN(C(=O)c2cccs2)CC3)=O;O=C(NCc1cccnc1)N2CCN(CC2)C(=O)c3sccc3;c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3","InChI=1S/C16H18N4O2S/c21-15(14-4-2-10-23-14)19-6-8-20(9-7-19)16(22)18-12-13-3-1-5-17-11-13/h1-5,10-11H,6-9,12H2,(H,18,22)","","2021-02-03","2021-02-12","N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2021-02-17"],["A1IEE","((3aS,4R,6R,7aS)-2-((4-(tert-butyl)phenyl)sulfonyl)-5,5-dimethyloctahydro-3aH-4,6-methanoisoindol-3a-yl)methyl (4-iodophenyl)carbamate","C29 H37 I N2 O4 S","CC(C)(C)c1ccc(cc1)[S](=O)(=O)N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(COC(=O)Nc5ccc(I)cc5)C2;CC1(C2CC3CN(CC3(C1C2)COC(=O)Nc4ccc(cc4)I)S(=O)(=O)c5ccc(cc5)C(C)(C)C)C","InChI=1S/C29H37IN2O4S/c1-27(2,3)19-6-12-24(13-7-19)37(34,35)32-16-21-14-20-15-25(28(20,4)5)29(21,17-32)18-36-26(33)31-23-10-8-22(30)9-11-23/h6-13,20-21,25H,14-18H2,1-5H3,(H,31,33)/t20-,21+,25+,29+/m0/s1","[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-iodophenyl)carbamate","2024-06-13","2025-09-26","[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-iodophenyl)carbamate","2025-10-01"],["L5J","(4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid","C16 H20 O4","C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)=O;OC(=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)cc2;c1cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O","InChI=1S/C16H20O4/c17-15(18)9-12-6-4-11(5-7-12)8-13-2-1-3-14(13)10-16(19)20/h4-7,13-14H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m1/s1","","2019-02-06","2020-02-07","(4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid","2020-02-12"],["Y45","Agrocinopine D-like  (C2-C2 linked; with two alpha-D-glucopyranoses)","C12 H23 O14 P","OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OP(=O)(O)OC2C(C(C(OC2O)CO)O)O)O)O)O","InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1","Agrocinopine D-like; bis[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate; D-glucose-2-phosphate-2-glucose","2023-06-09","2024-01-19","bis[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","2024-01-24"],["L5K","~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide","C22 H17 N3 O7 S","OC1(CC1)C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(ccc5c4c3)[N+]([O-])=O)c2;c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O","InChI=1S/C22H17N3O7S/c26-21(22(27)8-9-22)23-13-2-1-3-14(10-13)24-33(30,31)16-5-7-19-18(12-16)17-6-4-15(25(28)29)11-20(17)32-19/h1-7,10-12,24,27H,8-9H2,(H,23,26)","","2019-07-22","2020-06-05","~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide","2020-06-10"],["A1IEF","1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea","C19 H27 N7 O","CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[CH]3CNC(N)=O;CCN(Cc1ccncc1)c2cc(nc(n2)N3CCCC3CNC(=O)N)C","InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1","","2024-06-13","2025-08-29","1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea","2025-09-03"],["Y46","N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE","C17 H16 N4 O4 S","O=S(=O)(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3;NC1=C(N[S](=O)(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3;c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N","InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)","","2012-05-02","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide","2012-10-26"],["L5L","(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine","C14 H15 N O S","COc1ccc(cc1)C1NCCc2sccc21;COc1ccc(cc1)[CH]2NCCc3sccc23;COc1ccc(cc1)C2c3ccsc3CCN2","InChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3/t14-/m1/s1","","2022-02-28","2022-09-30","(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine","2022-10-05"],["A1IEO","methyl 4-chloranyl-3-sulfamoyl-benzoate","C8 H8 Cl N O4 S","COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O;COC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl","InChI=1S/C8H8ClNO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13)","","2024-06-13","2025-06-20","methyl 4-chloranyl-3-sulfamoyl-benzoate","2025-06-25"],["L5N","4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid","C21 H13 Cl N2 O5 S","OC(=O)c1ccc(CN2C(=O)c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1;c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O","InChI=1S/C21H13ClN2O5S/c22-16-9-8-15(30-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(7-5-11)21(28)29/h1-9H,10H2,(H,23,25)(H,28,29)","","2019-07-22","2020-06-05","4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid","2020-06-10"],["Y47","4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide","C17 H20 N4 O3","N1(CCN(CC1)C(NCc2cnccc2)=O)C(c3ccc(C)o3)=O;Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3;Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3","InChI=1S/C17H20N4O3/c1-13-4-5-15(24-13)16(22)20-7-9-21(10-8-20)17(23)19-12-14-3-2-6-18-11-14/h2-6,11H,7-10,12H2,1H3,(H,19,23)","","2021-02-03","2021-02-12","4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide","2021-02-17"],["Y48","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","C21 H28 F3 N3 O8 S","CC(C)CC(NC(=O)OCc1cc(F)c(F)cc1F)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1cc(F)c(F)cc1F)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cc(c(cc2F)F)F","InChI=1S/C21H28F3N3O8S/c1-10(2)5-16(27-21(31)35-9-12-6-14(23)15(24)8-13(12)22)19(29)26-17(20(30)36(32,33)34)7-11-3-4-25-18(11)28/h6,8,10-11,16-17,20,30H,3-5,7,9H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t11-,16-,17-,20-/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","2022-05-04"],["L5P","(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid","C11 H23 N2 O9 P","NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O;N[CH](CCCCNCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O;C(CCNCC(=O)C(C(COP(=O)(O)O)O)O)CC(C(=O)O)N","InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1","","2014-11-17","2024-09-27","(2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name)","2015-01-14"],["Y49","4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid","C19 H13 N5 O4","NC(=O)c1nc(nc2N(C(=O)Nc12)c3ccccc3)c4ccc(cc4)C(O)=O;c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O","InChI=1S/C19H13N5O4/c20-15(25)13-14-17(24(19(28)22-14)12-4-2-1-3-5-12)23-16(21-13)10-6-8-11(9-7-10)18(26)27/h1-9H,(H2,20,25)(H,22,28)(H,26,27)","","2020-04-08","2021-04-02","4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7~{H}-purin-2-yl)benzoic acid","2021-04-07"],["L5Q","5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide","C7 H7 F3 N2 O2","Cc1onc(c1)C(=O)NCC(F)(F)F;Cc1cc(no1)C(=O)NCC(F)(F)F","InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)","","2019-07-23","2020-08-21","5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide","2020-08-26"],["Y4B","allopregnanolone","C21 H34 O2","CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1","3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one; Brexanolone","2023-01-03","2023-09-09","3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one","2023-08-30"],["L5R","[(2R,3S,5R)-5-[(1R,6R)-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C25 H23 N2 O8 P","O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2[CH]3C(=C[C]3(C#Cc4ccccc4)C(=O)NC2=O)c5ccccc5;c1ccc(cc1)C#CC23C=C(C2N(C(=O)NC3=O)C4CC(C(O4)COP(=O)(O)O)O)c5ccccc5","InChI=1S/C25H23N2O8P/c28-19-13-21(35-20(19)15-34-36(31,32)33)27-22-18(17-9-5-2-6-10-17)14-25(22,23(29)26-24(27)30)12-11-16-7-3-1-4-8-16/h1-10,14,19-22,28H,13,15H2,(H,26,29,30)(H2,31,32,33)/t19-,20+,21+,22+,25-/m0/s1","","2023-08-16","2024-05-24","[(2~{R},3~{S},5~{R})-5-[(1~{R},6~{R})-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2024-05-29"],["A1IEY","(5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate","C19 H13 Cl F N O3","Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3;c1ccc(cc1)COc2ccc(c(c2)F)C(=O)Oc3cc(cnc3)Cl","InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2","","2024-06-17","2024-09-27","(5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate","2024-08-28"],["Y4C","N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide","C25 H34 N4 O4 S","O=S(=O)(c1ccc(C)cc1)N1CCN(CCNC(=O)C(=O)Nc2ccc(CCCC)cc2)CC1;CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)[S](=O)(=O)c3ccc(C)cc3)cc1;CCCCc1ccc(cc1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc(cc3)C","InChI=1S/C25H34N4O4S/c1-3-4-5-21-8-10-22(11-9-21)27-25(31)24(30)26-14-15-28-16-18-29(19-17-28)34(32,33)23-12-6-20(2)7-13-23/h6-13H,3-5,14-19H2,1-2H3,(H,26,30)(H,27,31)","","2023-06-11","2024-12-13","N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide","2024-12-18"],["L5S","13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene","C15 H12 N4 S","N2=C(c3ccsc3n1c(nnc1C)C2)c4ccccc4;Cc1nnc2CN=C(c3ccccc3)c4ccsc4n12;Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4","InChI=1S/C15H12N4S/c1-10-17-18-13-9-16-14(11-5-3-2-4-6-11)12-7-8-20-15(12)19(10)13/h2-8H,9H2,1H3","","2013-09-17","2014-04-28","9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine","2013-10-02"],["A1IEZ","(7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one","C22 H22 Cl F N4 O3","COCC[CH]1CNC(=O)c2c1[nH]c(c2Nc3cccc(Cl)c3OC)c4ccncc4F;COCCC1CNC(=O)c2c1[nH]c(c2Nc3cccc(c3OC)Cl)c4ccncc4F","InChI=1S/C22H22ClFN4O3/c1-30-9-7-12-10-26-22(29)17-18(12)28-19(13-6-8-25-11-15(13)24)20(17)27-16-5-3-4-14(23)21(16)31-2/h3-6,8,11-12,27-28H,7,9-10H2,1-2H3,(H,26,29)/t12-/m0/s1","","2024-06-18","2025-01-24","(7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one","2025-01-29"],["L5T","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide","C40 H50 N6 O9 S","O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O)NC1(C(=O)O)CC1/C=C)N(C(=O)C(NC(=O)OC2CCCC2)C(C)(C)C)C3)c4)ccc(OC)c5)cs6)C(C)C;COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C=C)C(O)=O)cc(nc2c1)c6csc(NC(=O)C(C)C)n6;CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O","InChI=1S/C40H50N6O9S/c1-8-22-18-40(22,36(50)51)45-34(48)30-16-25(19-46(30)35(49)32(39(4,5)6)43-38(52)55-23-11-9-10-12-23)54-31-17-28(41-27-15-24(53-7)13-14-26(27)31)29-20-56-37(42-29)44-33(47)21(2)3/h8,13-15,17,20-23,25,30,32H,1,9-12,16,18-19H2,2-7H3,(H,43,52)(H,45,48)(H,50,51)(H,42,44,47)/t22-,25-,30+,32-,40-/m1/s1","","2010-10-20","2012-10-01","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide",""],["Y4D","(1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H41 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCCC(C3)C2","InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1","","2021-02-03","2024-09-27","(1~{R},2~{S})-2-[[(2~{S})-2-[[(1~{S},5~{R})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["A1IFA","CGP-36742","C7 H18 N O2 P","CCCC[P](O)(=O)CCCN;CCCCP(=O)(CCCN)O","InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","3-azanylpropyl(butyl)phosphinic acid; SGS-742","2024-06-19","2025-11-27","3-azanylpropyl(butyl)phosphinic acid","2025-07-02"],["L5V","2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine","C6 H4 Cl N5","Clc2nc(c1ncnn1)cnc2;Clc1cncc(n1)c2n[nH]cn2;c1c(nc(cn1)Cl)c2nc[nH]n2","InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)","","2013-10-18","2014-09-05","2-chloro-6-(1H-1,2,4-triazol-3-yl)pyrazine","2014-06-18"],["Y4E","[(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol","C10 H12 N2 S2","SC[CH]1SC[CH]2Nc3ccccc3N12;c1ccc2c(c1)NC3N2C(SC3)CS","InChI=1S/C10H12N2S2/c13-5-10-12-8-4-2-1-3-7(8)11-9(12)6-14-10/h1-4,9-11,13H,5-6H2/t9-,10-/m1/s1","","2023-11-20","2024-04-05","[(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol","2024-04-10"],["L5W","~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide","C8 H13 N O2","ONC(=O)C12CCC(CC1)C2;C1CC2(CCC1C2)C(=O)NO","InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8-","","2019-07-23","2020-08-21","~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide","2020-08-26"],["A1IFC","4-[[4-fluoranyl-3-[[(5~{R})-5-methyl-3-(1,3-thiazol-2-yl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","C25 H20 F N7 O2 S","C[CH]1CN(Cc2nnc(n12)c3sccn3)C(=O)c4cc(CC5=NNC(=O)c6ccccc56)ccc4F;CC1CN(Cc2n1c(nn2)c3nccs3)C(=O)c4cc(ccc4F)CC5=NNC(=O)c6c5cccc6","InChI=1S/C25H20FN7O2S/c1-14-12-32(13-21-29-30-22(33(14)21)24-27-8-9-36-24)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)31-28-20/h2-10,14H,11-13H2,1H3,(H,31,34)/t14-/m1/s1","","2024-06-20","2026-01-09","4-[[4-fluoranyl-3-[[(5~{R})-5-methyl-3-(1,3-thiazol-2-yl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","2026-01-14"],["Y4F","Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate","C20 H24 N10 O12 P2","Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c(N)ncnc21;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3O)O[CH]5n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6ncnc7N)O)O)O)N","InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(40-19)2-38-44(35,36)42-14-11(31)7(1-37-43(33,34)41-13)39-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2023-01-04","2024-02-02","(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7,14-bis(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2024-02-07"],["Y4H","Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose)","C12 H23 O14 P","OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OP(=O)(O)OC2C(C(C(OC2O)CO)O)O)O)O)O","InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1","Agrocinopine D-like; [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate; D-glucose-2-phosphate-2-glucose","2023-06-09","2024-01-19","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","2024-01-24"],["A1IFF","(R)-amino-3-hydroxybutanoic acid","C4 H9 N O3","NC[CH](O)CC(O)=O;C(C(CN)O)C(=O)O","InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1","(R)-GABOB","2024-06-21","2025-06-27","(3~{R})-4-azanyl-3-oxidanyl-butanoic acid","2025-07-02"],["L5X","3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol","C10 H12 N2 O S","CC1CN=C(Nc2cc(O)ccc2)S1;C[CH]1CN=C(Nc2cccc(O)c2)S1;CC1CN=C(S1)Nc2cccc(c2)O","InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1","","2022-02-28","2022-09-30","3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol","2022-10-05"],["L5Y","2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol","C14 H12 F3 N5 O","FC(F)(F)c3nc(c2nnc1cnccc12)cc(NCCO)c3;OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnccc23;c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO","InChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22)","","2013-10-18","2014-06-13","2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol","2014-06-18"],["A1IFQ","(7~{S})-1-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)amino]-6,6-dimethyl-7-oxidanyl-7,8-dihydrobenzo[cd]indole-3-carboxylic acid","C26 H24 N2 O5","CC1(C)[CH](O)Cc2n(c3ccc(O)cc3)c(Nc4ccc(O)cc4)c5c(ccc1c25)C(O)=O;CC1(c2ccc(c3c2c(n(c3Nc4ccc(cc4)O)c5ccc(cc5)O)CC1O)C(=O)O)C","InChI=1S/C26H24N2O5/c1-26(2)19-12-11-18(25(32)33)22-23(19)20(13-21(26)31)28(15-5-9-17(30)10-6-15)24(22)27-14-3-7-16(29)8-4-14/h3-12,21,27,29-31H,13H2,1-2H3,(H,32,33)/t21-/m0/s1","","2024-06-25","2025-05-02","(7~{S})-1-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)amino]-6,6-dimethyl-7-oxidanyl-7,8-dihydrobenzo[cd]indole-3-carboxylic acid","2025-05-07"],["Y4I","1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","C19 H26 N5 O10 P S","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=S)N3C[CH](CO)O[CH](C3)N4C=CC(=O)NC4=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(N3CC(OC(C3)N4C=CC(=O)NC4=O)CO)O)O","InChI=1S/C19H26N5O10PS/c1-10-5-24(19(30)21-17(10)28)15-4-12(26)13(34-15)9-32-35(31,36)22-6-11(8-25)33-16(7-22)23-3-2-14(27)20-18(23)29/h2-3,5,11-13,15-16,25-26H,4,6-9H2,1H3,(H,31,36)(H,20,27,29)(H,21,28,30)/t11-,12-,13+,15+,16+,35-/m0/s1","","2023-11-20","2023-12-01","1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","2023-12-06"],["Y4J","(1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H39 N3 O8 S","N(C(=O)C(CC(C)C)NC(OCC1CC2CC(C1)CC=C2)=O)C(CC3C(NCC3)=O)C(O)S(=O)(O)=O;CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CC=CC(C3)C2","InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1","","2021-02-03","2024-09-27","(1R,2S)-2-{[N-({[(1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L5Z","(1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine","C19 H20 F N5","Fc1cccc(c1)CC4CC4NCCc2nc(ncc2)n3ccnc3;Fc1cccc(C[CH]2C[CH]2NCCc3ccnc(n3)n4ccnc4)c1;c1cc(cc(c1)F)CC2CC2NCCc3ccnc(n3)n4ccnc4","InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2/t15-,18-/m1/s1","","2014-10-21","2014-12-19","(1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine","2014-12-24"],["L60","1,3-diazinan-2-one","C4 H8 N2 O","O=C1NCCCN1;C1CNC(=O)NC1","InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","","2017-04-13","2017-07-07","1,3-diazinan-2-one","2017-07-12"],["Y4K","3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazin-1-yl}benzene-1-sulfonamide","C15 H18 N4 O4 S","O=S(N)(=O)c1cc(c(NNCC(C)c2ccccc2)cc1)[N+]([O-])=O;C[CH](CNNc1ccc(cc1[N+]([O-])=O)[S](N)(=O)=O)c2ccccc2;CC(CNNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N)c2ccccc2","InChI=1S/C15H18N4O4S/c1-11(12-5-3-2-4-6-12)10-17-18-14-8-7-13(24(16,22)23)9-15(14)19(20)21/h2-9,11,17-18H,10H2,1H3,(H2,16,22,23)/t11-/m1/s1","","2023-01-04","2026-04-06","3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazin-1-yl}benzene-1-sulfonamide","2023-05-24"],["A1IFS","(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide","C17 H27 N5 O3 S","CNC(=O)[CH]1CCCN1c2nc(C)cc(n2)N(C)C[CH]3CC[S](=O)(=O)C3;Cc1cc(nc(n1)N2CCCC2C(=O)NC)N(C)CC3CCS(=O)(=O)C3","InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1","","2024-06-26","2025-08-29","(2~{S})-1-[4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-~{N}-methyl-pyrrolidine-2-carboxamide","2025-09-03"],["Y4L","((4-Chlorophenyl)sulfamoyl))dimethylamine","C8 H11 Cl N2 O2 S","Clc1ccc(NS(=O)(=O)N(C)C)cc1;CN(C)[S](=O)(=O)Nc1ccc(Cl)cc1;CN(C)S(=O)(=O)Nc1ccc(cc1)Cl","InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3","","2015-02-06","2015-09-12","N'-(4-chlorophenyl)-N,N-dimethylsulfuric diamide","2015-08-26"],["L61","2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate","C14 H19 N O3","O=C(OCC(C)C)NC(c1ccccc1)CC=O;CC(C)COC(=O)N[CH](CC=O)c1ccccc1;CC(C)COC(=O)NC(CC=O)c1ccccc1","InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1","","2013-02-11","2024-09-27","2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate","2013-05-22"],["L62","cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate","C15 H19 N O3","O=C(OC1CCCC1)NC(c2ccccc2)CC=O;O=CC[CH](NC(=O)OC1CCCC1)c2ccccc2;c1ccc(cc1)C(CC=O)NC(=O)OC2CCCC2","InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1","","2013-02-11","2024-09-27","cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate","2013-05-22"],["Y4N","N-[(3,4-dichlorophenyl)methyl]-2-{4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide","C25 H28 Cl2 N6 O5 S","O=C(CCCS(N)(=O)=O)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1;N[S](=O)(=O)CCCC(=O)N1CCN(CC1)c2ccc3N=CN(CC(=O)NCc4ccc(Cl)c(Cl)c4)C(=O)c3c2;c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)CCCS(=O)(=O)N)Cl)Cl","InChI=1S/C25H28Cl2N6O5S/c26-20-5-3-17(12-21(20)27)14-29-23(34)15-33-16-30-22-6-4-18(13-19(22)25(33)36)31-7-9-32(10-8-31)24(35)2-1-11-39(28,37)38/h3-6,12-13,16H,1-2,7-11,14-15H2,(H,29,34)(H2,28,37,38)","","2023-06-11","2024-12-13","N-[(3,4-dichlorophenyl)methyl]-2-{4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide","2024-12-18"],["A1IFY","[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid","C19 H26 N3 O5 P","CC(C)C[CH](C(=O)Nc1cnc(nc1)c2ccc(OC(C)C)cc2)[P](O)(O)=O;CC(C)CC(C(=O)Nc1cnc(nc1)c2ccc(cc2)OC(C)C)P(=O)(O)O","InChI=1S/C19H26N3O5P/c1-12(2)9-17(28(24,25)26)19(23)22-15-10-20-18(21-11-15)14-5-7-16(8-6-14)27-13(3)4/h5-8,10-13,17H,9H2,1-4H3,(H,22,23)(H2,24,25,26)/t17-/m1/s1","","2024-06-26","2025-06-27","[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid","2025-07-02"],["A1IFZ","[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid","C18 H21 Cl2 N2 O6 P S","CC(C)C[CH](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O;CC(C)CC(C(=O)Nc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)Cl)Cl)P(=O)(O)O","InChI=1S/C18H21Cl2N2O6PS/c1-11(2)9-17(29(24,25)26)18(23)21-12-3-5-13(6-4-12)22-30(27,28)14-7-8-15(19)16(20)10-14/h3-8,10-11,17,22H,9H2,1-2H3,(H,21,23)(H2,24,25,26)/t17-/m1/s1","","2024-06-26","2025-06-27","[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid","2025-07-02"],["L63","N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide","C17 H18 N2 O4","O=C(NC(C(=O)NO)C(O)C)c2ccc(c1ccccc1)cc2;C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccccc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O","InChI=1S/C17H18N2O4/c1-11(20)15(17(22)19-23)18-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22)/t11-,15+/m1/s1","","2012-07-13","2013-05-10","N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide","2013-05-15"],["Y4O","3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide","C29 H31 N7 O2","CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2;Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)NC(=O)CCCN(C)C","InChI=1S/C29H31N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-5,7-9,11-15,17-19H,6,10,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)","","2023-11-20","2023-12-22","3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide","2023-12-27"],["Y4P","(1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H37 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC[CH]1C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCC2C3","InChI=1S/C22H37N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h12-18,21,28H,3-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1","","2021-02-03","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L64","1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea","C32 H32 N10 O3","O=C(c1cccnc1)N7CCC(n3ncc2c(nc(nc23)c5ccc(NC(=O)Nc4ccncc4)cc5)N6CCOCC6)CC7;O=C(Nc1ccncc1)Nc2ccc(cc2)c3nc(N4CCOCC4)c5cnn(C6CCN(CC6)C(=O)c7cccnc7)c5n3;c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7","InChI=1S/C32H32N10O3/c43-31(23-2-1-11-34-20-23)41-14-9-26(10-15-41)42-30-27(21-35-42)29(40-16-18-45-19-17-40)38-28(39-30)22-3-5-24(6-4-22)36-32(44)37-25-7-12-33-13-8-25/h1-8,11-13,20-21,26H,9-10,14-19H2,(H2,33,36,37,44)","","2009-07-17","2011-06-04","1-(4-{4-(morpholin-4-yl)-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea",""],["Y4Q","6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazin-1-yl}pyrimidin-4(5H)-one","C14 H15 N5 O3","CC1=NC(NNC=CCc2ccccc2[N+]([O-])=O)=NC(=O)C1;CC1=NC(=NC(=O)C1)NNC=CCc2ccccc2[N+]([O-])=O;CC1=NC(=NC(=O)C1)NNC=CCc2ccccc2[N+](=O)[O-]","InChI=1S/C14H15N5O3/c1-10-9-13(20)17-14(16-10)18-15-8-4-6-11-5-2-3-7-12(11)19(21)22/h2-5,7-8,15H,6,9H2,1H3,(H,17,18,20)/b8-4+","","2023-01-04","2026-04-06","6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazin-1-yl}pyrimidin-4(5H)-one","2023-05-24"],["L66","7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione","C22 H19 N5 O4","O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c3cc(O)ccc3C)c4)c5ccccc5OC;COc1ccccc1n2c(cn3c2nc4N(C)C(=O)NC(=O)c34)c5cc(O)ccc5C;Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O","InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)","","2012-08-24","2013-01-18","7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione","2013-01-18"],["A1IGE","(3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one","C19 H19 N3 O3","COc1cc(ccn1)N2CC[C]3(O)C(=O)c4cc(C)c(C)cc4N=C23;Cc1cc2c(cc1C)N=C3C(C2=O)(CCN3c4ccnc(c4)OC)O","InChI=1S/C19H19N3O3/c1-11-8-14-15(9-12(11)2)21-18-19(24,17(14)23)5-7-22(18)13-4-6-20-16(10-13)25-3/h4,6,8-10,24H,5,7H2,1-3H3/t19-/m1/s1","","2024-06-27","2025-07-04","(3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one","2025-07-09"],["Y4R","2-[(2-tert-butyl-4-cyano-5-methylphenoxy)methyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile","C21 H24 N4 O2","CC(C)(C)c1cc(C#N)c(C)cc1OCc1nc(C#N)c(o1)N1CCCC1;Cc1cc(OCc2oc(N3CCCC3)c(n2)C#N)c(cc1C#N)C(C)(C)C;Cc1cc(c(cc1C#N)C(C)(C)C)OCc2nc(c(o2)N3CCCC3)C#N","InChI=1S/C21H24N4O2/c1-14-9-18(16(21(2,3)4)10-15(14)11-22)26-13-19-24-17(12-23)20(27-19)25-7-5-6-8-25/h9-10H,5-8,13H2,1-4H3","","2023-06-11","2024-12-13","2-[(2-tert-butyl-4-cyano-5-methylphenoxy)methyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile","2024-12-18"],["L67","{(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid","C16 H18 O5","C2C(C(c1ccc(cc1)CC(=O)O)=O)C(CC2)CC(=O)O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(CC(O)=O)cc2;c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O","InChI=1S/C16H18O5/c17-14(18)8-10-4-6-11(7-5-10)16(21)13-3-1-2-12(13)9-15(19)20/h4-7,12-13H,1-3,8-9H2,(H,17,18)(H,19,20)","","2019-02-06","2020-02-07","{(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid","2020-02-12"],["L68","2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid","C23 H16 F2 N4 O3","Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2;Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O","InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+","","2019-07-23","2024-09-27","2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid","2019-11-27"],["Y4T","(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol","C18 H18 O2","Oc1ccc(cc1CC=C)c1cc(CC=C)ccc1O;Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O;C=CCc1ccc(c(c1)c2ccc(c(c2)CC=C)O)O","InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","Honokiol","2023-11-20","2023-12-01","(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol","2023-12-06"],["L69","[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid","C8 H12 O8 P2","CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O;CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)","L-690330","2018-05-16","2021-03-01","[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid","2018-10-17"],["Y4U","1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one","C12 H11 N O3 S","O=C(C)c1ccn(c1)S(=O)(=O)c1ccccc1;CC(=O)c1ccn(c1)[S](=O)(=O)c2ccccc2;CC(=O)c1ccn(c1)S(=O)(=O)c2ccccc2","InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3","","2023-01-04","2023-05-19","1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one","2023-05-24"],["Y4V","(1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C25 H41 N3 O8 S","C(NC(C(NC(CC1C(=O)NCC1)CO)=O)CC(C)C)(=O)OCC24CC3CC(CC(C2)C3)C4;CC(C)C[CH](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3","InChI=1S/C25H41N3O8S/c1-14(2)5-19(22(30)27-20(23(31)37(33,34)35)9-18-3-4-26-21(18)29)28-24(32)36-13-25-10-15-6-16(11-25)8-17(7-15)12-25/h14-20,23,31H,3-13H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,16+,17-,18-,19-,20-,23+,25-/m0/s1","","2021-02-03","2024-09-27","N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methoxy}carbonyl)-L-leucinamide","2021-02-17"],["L6A","4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide","C16 H14 N4 O2","NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3;c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO","InChI=1S/C16H14N4O2/c17-15-13-5-12(16(18)22)11(6-14(13)19-8-20-15)10-3-1-2-9(4-10)7-21/h1-6,8,21H,7H2,(H2,18,22)(H2,17,19,20)","","2022-06-20","2022-09-30","4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide","2022-10-05"],["Y4W","1-[4-({7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl}amino)benzoyl]piperidine-4-sulfonamide","C25 H25 F2 N7 O4 S","NS(=O)(=O)C1CCN(CC1)C(=O)c1ccc(cc1)Nc1ncc2c(n1)N(C)C(=O)N2Cc1ccc(F)c(F)c1;CN1C(=O)N(Cc2ccc(F)c(F)c2)c3cnc(Nc4ccc(cc4)C(=O)N5CCC(CC5)[S](N)(=O)=O)nc13;CN1c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)S(=O)(=O)N)N(C1=O)Cc5ccc(c(c5)F)F","InChI=1S/C25H25F2N7O4S/c1-32-22-21(34(25(32)36)14-15-2-7-19(26)20(27)12-15)13-29-24(31-22)30-17-5-3-16(4-6-17)23(35)33-10-8-18(9-11-33)39(28,37)38/h2-7,12-13,18H,8-11,14H2,1H3,(H2,28,37,38)(H,29,30,31)","","2023-06-11","2024-12-13","1-[4-({7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl}amino)benzoyl]piperidine-4-sulfonamide","2024-12-18"],["L6B","methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate","C15 H18 N2 O4","COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O;COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O","InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+","","2019-07-23","2024-09-27","methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate","2019-11-27"],["L6C","phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate","C16 H15 N O3","O=C(Oc1ccccc1)NC(c2ccccc2)CC=O;O=CC[CH](NC(=O)Oc1ccccc1)c2ccccc2;c1ccc(cc1)C(CC=O)NC(=O)Oc2ccccc2","InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1","","2013-02-11","2024-09-27","phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate","2013-05-22"],["Y4X","N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide","C27 H22 F2 N4 O3 S","Oc1ccc2[NH]cc(CC(=O)NC(Cc3cc(F)cc(F)c3)C(=O)N(C)c3cc4ncsc4cc3)c2c1;CN(C(=O)[CH](Cc1cc(F)cc(F)c1)NC(=O)Cc2c[nH]c3ccc(O)cc23)c4ccc5scnc5c4;CN(c1ccc2c(c1)ncs2)C(=O)C(Cc3cc(cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O","InChI=1S/C27H22F2N4O3S/c1-33(19-2-5-25-23(11-19)31-14-37-25)27(36)24(8-15-6-17(28)10-18(29)7-15)32-26(35)9-16-13-30-22-4-3-20(34)12-21(16)22/h2-7,10-14,24,30,34H,8-9H2,1H3,(H,32,35)/t24-/m1/s1","","2023-11-20","2024-12-06","N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide","2024-12-11"],["A1IGV","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C29 H46 O3","C[CH](CC(=C)CCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CC(=C)CCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C29H46O3/c1-19(13-15-28(4,5)32)16-20(2)25-11-12-26-22(8-7-14-29(25,26)6)9-10-23-17-24(30)18-27(31)21(23)3/h9-10,20,24-27,30-32H,1,3,7-8,11-18H2,2,4-6H3/b22-9+,23-10-/t20-,24+,25-,26+,27+,29-/m1/s1","","2024-07-02","2025-05-02","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2025-05-07"],["L6D","N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide","C15 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nn1cnc2ccccc21;Clc1cccc(CC(=O)Nn2cnc3ccccc23)c1;c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-19-10-17-13-6-1-2-7-14(13)19/h1-8,10H,9H2,(H,18,20)","","2023-08-15","2023-11-03","N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide","2023-11-08"],["A1IGY","(Z)-7-(4-chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(4-(phenyldiazenyl)-3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione","C29 H24 Cl F3 N6 O5","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(OC(F)(F)F)c4)nc12;CN1c2c(n(c(n2)Oc3ccc(c(c3)OC(F)(F)F)N=Nc4ccccc4)Cc5ccc(cc5)Cl)C(=O)N(C1=O)CCCO","InChI=1S/C29H24ClF3N6O5/c1-37-25-24(26(41)38(28(37)42)14-5-15-40)39(17-18-8-10-19(30)11-9-18)27(34-25)43-21-12-13-22(23(16-21)44-29(31,32)33)36-35-20-6-3-2-4-7-20/h2-4,6-13,16,40H,5,14-15,17H2,1H3/b36-35-","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione","2024-07-02","2025-07-04","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione","2025-07-09"],["Y4Y","6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione","C9 H8 N4 O4","[O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1CN;NCc1cc2NC(=O)C(=O)Nc2cc1[N+]([O-])=O;c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])CN","InChI=1S/C9H8N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,3,10H2,(H,11,14)(H,12,15)","","2023-01-05","2026-04-06","6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione","2024-02-28"],["A1IGZ","N-(2-(3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl)ethyl)-2-oxo-2,3-dihydrobenzo[d]oxazole-6-carboxamide","C32 H31 F N8 O5 S2","CN(c1scc(n1)c2ccc(F)cc2)c3n4nc(ccc4nc3CCNC(=O)c5ccc6NC(=O)Oc6c5)C7CCN(CC7)[S](C)(=O)=O;CN(c1c(nc2n1nc(cc2)C3CCN(CC3)S(=O)(=O)C)CCNC(=O)c4ccc5c(c4)OC(=O)N5)c6nc(cs6)c7ccc(cc7)F","InChI=1S/C32H31FN8O5S2/c1-39(31-36-26(18-47-31)19-3-6-22(33)7-4-19)30-25(11-14-34-29(42)21-5-8-24-27(17-21)46-32(43)37-24)35-28-10-9-23(38-41(28)30)20-12-15-40(16-13-20)48(2,44)45/h3-10,17-18,20H,11-16H2,1-2H3,(H,34,42)(H,37,43)","N-[2-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methyl-amino]-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-carboxamide","2024-07-02","2025-04-18","~{N}-[2-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methyl-amino]-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxamide","2025-04-23"],["L6E","[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate","C17 H21 N3 O5","CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O;CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O","InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+","","2019-07-23","2024-09-27","[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate","2019-11-27"],["Y4Z","10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide","C21 H20 F3 N3 O2","FC(F)(F)Oc1cccc(c1)Cn1c2ccccc2c2CCCN(Cc12)C(N)=O;NC(=O)N1CCCc2c(C1)n(Cc3cccc(OC(F)(F)F)c3)c4ccccc24;c1ccc2c(c1)c3c(n2Cc4cccc(c4)OC(F)(F)F)CN(CCC3)C(=O)N","InChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-6-3-5-14(11-15)12-27-18-9-2-1-7-16(18)17-8-4-10-26(20(25)28)13-19(17)27/h1-3,5-7,9,11H,4,8,10,12-13H2,(H2,25,28)","","2023-06-11","2024-12-13","10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide","2024-12-18"],["L6F","(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine","C15 H16 N2","Nc1cccc2c1CCNC2c1ccccc1;Nc1cccc2[CH](NCCc12)c3ccccc3;c1ccc(cc1)C2c3cccc(c3CCN2)N","InChI=1S/C15H16N2/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8,15,17H,9-10,16H2/t15-/m1/s1","","2022-02-28","2022-09-30","(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine","2022-10-05"],["Y50","E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one","C22 H23 N O4","COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1N;CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(c(c3)N)OC)OC)C","InChI=1S/C22H23NO4/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)18(24)8-5-14-6-9-20(26-4)17(23)13-14/h5-13H,23H2,1-4H3/b8-5+","","2017-10-19","2018-04-06","(~{E})-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one","2018-04-11"],["A1IHA","2-(1-adamantyl)-~{N}-[2-[2-[2-oxidanylidene-2-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptylamino]ethoxy]ethoxy]ethyl]ethanamide","C48 H65 N5 O6 S","Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCNC(=O)COCCOCCNC(=O)CC56CC7CC(CC(C7)C5)C6)nc3c2;Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc3c(c2)nc(n3Cc4ccccc4)CCCCCCCNC(=O)COCCOCCNC(=O)CC56CC7CC(C5)CC(C7)C6)C","InChI=1S/C48H65N5O6S/c1-34-22-35(2)47(36(3)23-34)60(56,57)52-41-15-16-43-42(27-41)51-44(53(43)32-37-12-8-7-9-13-37)14-10-5-4-6-11-17-49-46(55)33-59-21-20-58-19-18-50-45(54)31-48-28-38-24-39(29-48)26-40(25-38)30-48/h7-9,12-13,15-16,22-23,27,38-40,52H,4-6,10-11,14,17-21,24-26,28-33H2,1-3H3,(H,49,55)(H,50,54)/t38?,39?,40?,48-","","2024-07-05","2025-02-14","2-(1-adamantyl)-~{N}-[2-[2-[2-oxidanylidene-2-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptylamino]ethoxy]ethoxy]ethyl]ethanamide","2025-02-19"],["L6G","(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione","C21 H29 N5 O3 S3","O=C2NCc1scc(n1)C3=NC(C(=O)NC(C(=O)NC(/C=C/CCS)C2)C(C)C)(C)CS3;CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2)c3csc(CNC(=O)C[CH](NC1=O)C=CCCS)n3;CC(C)C1C(=O)NC(CC(=O)NCc2nc(cs2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1","","2015-01-20","2015-04-03","(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione","2015-04-08"],["A1IHB","2-(1-adamantyl)-~{N}-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptyl]ethanamide","C42 H54 N4 O3 S","Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCNC(=O)CC56CC7CC(CC(C7)C5)C6)nc3c2;Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc3c(c2)nc(n3Cc4ccccc4)CCCCCCCNC(=O)CC56CC7CC(C5)CC(C7)C6)C","InChI=1S/C42H54N4O3S/c1-29-18-30(2)41(31(3)19-29)50(48,49)45-36-15-16-38-37(23-36)44-39(46(38)28-32-12-8-7-9-13-32)14-10-5-4-6-11-17-43-40(47)27-42-24-33-20-34(25-42)22-35(21-33)26-42/h7-9,12-13,15-16,18-19,23,33-35,45H,4-6,10-11,14,17,20-22,24-28H2,1-3H3,(H,43,47)/t33?,34?,35?,42-","","2024-07-05","2025-02-14","2-(1-adamantyl)-~{N}-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptyl]ethanamide","2025-02-19"],["Y51","(1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H35 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CC2C=C3","InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1","","2021-02-03","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["Y52","methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate","C20 H19 N O4 S2","O=C(OC)C(=COC)c1ccccc1CSc2nc3cc(OC)ccc3s2;COC=C(C(=O)OC)c1ccccc1CSc2sc3ccc(OC)cc3n2;COC=C(c1ccccc1CSc2nc3cc(ccc3s2)OC)C(=O)OC","InChI=1S/C20H19NO4S2/c1-23-11-16(19(22)25-3)15-7-5-4-6-13(15)12-26-20-21-17-10-14(24-2)8-9-18(17)27-20/h4-11H,12H2,1-3H3/b16-11+","","2014-07-21","2015-07-24","methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate","2015-07-29"],["L6H","[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate","C28 H38 N4 O7","O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3;C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC=CC(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3","InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1","","2019-07-23","2024-09-27","[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate","2019-11-27"],["A1IHD","1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one","C22 H20 Cl F N4 O3","COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[CH]4CCN(C4)C(=O)C=C;COc1cc2c(cc1OC3CCN(C3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4)Cl)F","InChI=1S/C22H20ClFN4O3/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)/t14-/m1/s1","","2024-07-08","2025-07-11","1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one","2025-07-16"],["Y53","Branaplam","C22 H27 N5 O2","CC1(C)CC(CC(C)(C)N1)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4;CC1(CC(CC(N1)(C)C)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4)C","InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)","5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol","2023-11-21","2024-11-11","5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol","2024-03-06"],["L6I","(3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid","C28 H30 N4 O6 S","COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C)c(CN4C[CH](C)Oc5ccccc5[S]4(=O)=O)c3;Cc1ccc(cc1CN2CC(Oc3ccccc3S2(=O)=O)C)C(CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C","InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1","","2015-11-17","2016-04-08","(3S)-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[(4R)-4-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid","2016-04-13"],["A1IHE","2-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-3-prop-2-ynoxy-oxan-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid","C25 H24 Cl2 N2 O7 S","Cn1c(CO[CH]2[CH](O)[CH](CO)O[CH](Sc3ccc(Cl)c(Cl)c3)[CH]2OCC#C)nc4ccc(cc14)C(O)=O;Cn1c2cc(ccc2nc1COC3C(C(OC(C3OCC#C)Sc4ccc(c(c4)Cl)Cl)CO)O)C(=O)O","InChI=1S/C25H24Cl2N2O7S/c1-3-8-34-23-22(35-12-20-28-17-7-4-13(24(32)33)9-18(17)29(20)2)21(31)19(11-30)36-25(23)37-14-5-6-15(26)16(27)10-14/h1,4-7,9-10,19,21-23,25,30-31H,8,11-12H2,2H3,(H,32,33)/t19-,21+,22+,23-,25-/m1/s1","","2024-07-08","2025-03-07","2-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-3-prop-2-ynoxy-oxan-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid","2025-03-12"],["L6J","[(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid","C16 H18 O6","C2(C(c1c(cccc1)OC)=O)CCCC2C(C(=O)O)C(=O)O;COc1ccccc1C(=O)[CH]2CCC[CH]2C(C(O)=O)C(O)=O;COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O","InChI=1S/C16H18O6/c1-22-12-8-3-2-5-11(12)14(17)10-7-4-6-9(10)13(15(18)19)16(20)21/h2-3,5,8-10,13H,4,6-7H2,1H3,(H,18,19)(H,20,21)/t9?,10-/m1/s1","","2019-02-07","2020-02-07","[(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid","2020-02-12"],["Y54","5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide","C29 H36 N4 O2 S","CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c4sc(cc4)CNC5CCC(O)C5;C[CH](NC(=O)c1cc(NC2CNC2)ccc1C)c3cccc(c3)c4sc(CN[CH]5CC[CH](O)C5)cc4;Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CNC4CCC(C4)O)NC5CNC5","InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25+/m1/s1","","2021-02-04","2021-02-19","5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide","2021-02-24"],["Y55","7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione","C13 H9 N O4","N1(O)C(=O)c3c(CC1=O)ccc(c2occc2)c3;ON1C(=O)Cc2ccc(cc2C1=O)c3occc3;c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O","InChI=1S/C13H9NO4/c15-12-7-8-3-4-9(11-2-1-5-18-11)6-10(8)13(16)14(12)17/h1-6,17H,7H2","","2017-02-21","2017-08-11","7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione","2017-08-16"],["L6K","(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid","C16 H20 N2 O4","CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O;CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O","InChI=1S/C16H20N2O4/c1-18-15(16(19)20)7-11-2-4-13(5-3-11)21-9-12-6-14(8-17)22-10-12/h2-6,10,15,18H,7-9,17H2,1H3,(H,19,20)/t15-/m0/s1","","2019-07-23","2019-11-29","(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid","2019-12-04"],["A1IHR","cryptophycin-uD[Dab]","C34 H43 Cl N4 O7","COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CCN)NC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl;CC(C1CC=CC(=O)NC(C(=O)NCC(C(=O)NC(C(=O)O1)CCN)(C)C)Cc2ccc(c(c2)Cl)OC)C3C(O3)c4ccccc4","InChI=1S/C34H43ClN4O7/c1-20(29-30(46-29)22-9-6-5-7-10-22)26-11-8-12-28(40)38-25(18-21-13-14-27(44-4)23(35)17-21)31(41)37-19-34(2,3)33(43)39-24(15-16-36)32(42)45-26/h5-10,12-14,17,20,24-26,29-30H,11,15-16,18-19,36H2,1-4H3,(H,37,41)(H,38,40)(H,39,43)/b12-8+/t20-,24-,25+,26-,29+,30+/m0/s1","(3S,10R,13E,16S)-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone","2024-07-09","2024-10-04","(3~{S},10~{R},13~{E},16~{S})-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone","2024-10-09"],["Y56","4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide","C34 H36 N8 O2","CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CC[CH](C2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC(C2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6","InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1","","2021-10-12","2024-09-27","4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide","2023-06-28"],["L6L","3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one","C19 H27 F3 N2 O2 S2","CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F;CN(C)CCSSCCC(=O)N1CCC(CC1)(c2cccc(c2)C(F)(F)F)O","InChI=1S/C19H27F3N2O2S2/c1-23(2)11-13-28-27-12-6-17(25)24-9-7-18(26,8-10-24)15-4-3-5-16(14-15)19(20,21)22/h3-5,14,26H,6-13H2,1-2H3","","2022-06-20","2023-04-21","3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one","2023-04-26"],["A1IHU","4-bromanyl-2-methyl-pyrazol-3-amine","C4 H6 Br N3","Cn1ncc(Br)c1N;Cn1c(c(cn1)Br)N","InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3","","2024-07-09","2025-07-11","4-bromanyl-2-methyl-pyrazol-3-amine","2025-07-16"],["A1IHV","[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone","C28 H29 F N6 O S","Cc1cncc(c1)C(=O)N2C[CH]3CC[CH](C2)N3[CH](c4cccc(F)c4)c5cn(CCc6cscc6)nn5;Cc1cc(cnc1)C(=O)N2CC3CCC(C2)N3C(c4cccc(c4)F)c5cn(nn5)CCc6ccsc6","InChI=1S/C28H29FN6OS/c1-19-11-22(14-30-13-19)28(36)33-15-24-5-6-25(16-33)35(24)27(21-3-2-4-23(29)12-21)26-17-34(32-31-26)9-7-20-8-10-37-18-20/h2-4,8,10-14,17-18,24-25,27H,5-7,9,15-16H2,1H3/t24-,25+,27-/m1/s1","","2024-07-09","2025-06-27","[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone","2025-07-02"],["L6M","5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine","C30 H37 N5 O10","C(CC(C(=O)O)NC(CC2C(C(c1ccc(CC(=O)O)cc1)=O)CCC2)=O)C(NCC4C(CC(N3C=CC(=NC3=O)N)O4)O)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CNC(=O)CC[CH](NC(=O)C[CH]3CCC[CH]3C(=O)c4ccc(CC(O)=O)cc4)C(O)=O)O2;c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)NC(CCC(=O)NCC3C(CC(O3)N4C=CC(=NC4=O)N)O)C(=O)O","InChI=1S/C30H37N5O10/c31-23-10-11-35(30(44)34-23)26-14-21(36)22(45-26)15-32-24(37)9-8-20(29(42)43)33-25(38)13-18-2-1-3-19(18)28(41)17-6-4-16(5-7-17)12-27(39)40/h4-7,10-11,18-22,26,36H,1-3,8-9,12-15H2,(H,32,37)(H,33,38)(H,39,40)(H,42,43)(H2,31,34,44)/t18-,19+,20-,21-,22+,26+/m0/s1","","2019-02-07","2020-02-07","5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine","2020-02-12"],["Y57","N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine","C17 H28 N2 O2","C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1;CC(C)N(CCCC[CH](N)C(O)=O)CCc1ccccc1;CC(C)N(CCCCC(C(=O)O)N)CCc1ccccc1","InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1","","2021-02-04","2024-09-27","N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine","2021-12-15"],["Y58","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol","C20 H27 N3 O9 S2","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(Sc4ccccc4)nn3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)Sc2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O","InChI=1S/C20H27N3O9S2/c24-7-10-14(26)13(23-6-12(21-22-23)33-9-4-2-1-3-5-9)16(28)19(31-10)34-20-18(30)17(29)15(27)11(8-25)32-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1","","2023-06-12","2023-11-03","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol","2023-11-08"],["L6N","(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol","C7 H14 O6","COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;COCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1","","2022-11-14","2023-08-04","(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol","2023-08-09"],["A1IHW","4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile","C19 H20 N4 O6 Ru2","C[CH]1O[Ru]2(O)O[CH](C)O[Ru](O)(O1)N(CN2c3ccc(cc3)C#N)c4ccc(cc4)C#N;CC1O[Ru]23(N(CN([Ru]2(O1)(OC(O3)C)O)c4ccc(cc4)C#N)c5ccc(cc5)C#N)O","InChI=1S/C15H10N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15;2*1-2(3)4;;;;/h1-8H,11H2;2*2H,1H3;2*1H2;;/q3*-2;;;2*+4/p-2","","2024-07-09","2024-11-22","4-[11-(4-cyanophenyl)-3,7-dimethyl-1,5-bis(oxidanyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile","2024-11-27"],["Y59","7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one","C22 H24 N7 O","Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5;Cc1cc(nn2c1nc(c2)C)C3=CC(=O)[N]4=C(N3)C=CC(=C4)N5CCNC6(C5)CC6","InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30)","","2023-11-21","2024-03-01","7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one","2024-03-06"],["L6O","(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine","C10 H11 F N2 S","CC1CN=C(Nc2ccc(F)cc2)S1;C[CH]1CN=C(Nc2ccc(F)cc2)S1;CC1CN=C(S1)Nc2ccc(cc2)F","InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1","","2022-02-28","2022-09-30","(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine","2022-10-05"],["A1IIA","(1S)-3-(methylamino)-1-thiophen-2-yl-propan-1-ol","C8 H13 N O S","CNCC[CH](O)c1sccc1;CNCCC(c1cccs1)O","InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1","","2024-07-16","2025-07-18","(1~{S})-3-(methylamino)-1-thiophen-2-yl-propan-1-ol","2025-07-23"],["Y5B","N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide","C28 H21 F6 N O3 S","O=S(=O)(N(Cc1ccc(cc1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1;OC(c1ccc(cc1)N(Cc2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccccc4)(C(F)(F)F)C(F)(F)F;c1ccc(cc1)c2ccc(cc2)CN(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccccc4","InChI=1S/C28H21F6NO3S/c29-27(30,31)26(36,28(32,33)34)23-15-17-24(18-16-23)35(39(37,38)25-9-5-2-6-10-25)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-18,36H,19H2","","2023-01-05","2023-03-10","N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide","2023-03-15"],["L6P","1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid","C19 H22 N2 O3","c1(c(C#N)ccc(c1)CC(NC2(CCCCC2)C(O)=O)=O)C3CC3;OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3CC3;c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N","InChI=1S/C19H22N2O3/c20-12-15-5-4-13(10-16(15)14-6-7-14)11-17(22)21-19(18(23)24)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11H2,(H,21,22)(H,23,24)","","2019-02-07","2019-11-01","1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid","2019-11-06"],["L6R","(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide","C17 H19 Cl N2 O","O=C(Nc1cnccc1C)C(CCC)c1cccc(Cl)c1;CCC[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2;CCCC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C","InChI=1S/C17H19ClN2O/c1-3-5-15(13-6-4-7-14(18)10-13)17(21)20-16-11-19-9-8-12(16)2/h4,6-11,15H,3,5H2,1-2H3,(H,20,21)/t15-/m1/s1","","2023-08-15","2023-11-03","(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide","2023-11-08"],["Y5C","4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid","C17 H17 F N4 O3","O=C(O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21;NC1=Nc2ccn(CCCCc3ccc(C(O)=O)c(F)c3)c2C(=O)N1;c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)O","InChI=1S/C17H17FN4O3/c18-12-9-10(4-5-11(12)16(24)25)3-1-2-7-22-8-6-13-14(22)15(23)21-17(19)20-13/h4-6,8-9H,1-3,7H2,(H,24,25)(H3,19,20,21,23)","","2023-06-12","2024-02-16","4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid","2024-02-21"],["L6S","6-O-sulfo-alpha-L-galactopyranose","C6 H12 O9 S","O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OS(=O)(=O)O","InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m0/s1","6-O-sulfo-alpha-L-galactose; 6-O-sulfo-L-galactose; 6-O-sulfo-galactose","2009-08-27","2020-07-17","6-O-sulfo-alpha-L-galactopyranose",""],["Y5D","{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile","C28 H32 F N9 O2 S","c5c(c4c1c(ncc1)nc(Nc3ccc(C2CCN(C)CC2)c(c3)F)n4)cnn5C6(CN(C6)S(CC)(=O)=O)CC#N;CC[S](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4ccc(C5CCN(C)CC5)c(F)c4)nc6[nH]ccc36;CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C","InChI=1S/C28H32FN9O2S/c1-3-41(39,40)37-17-28(18-37,9-10-30)38-16-20(15-32-38)25-23-6-11-31-26(23)35-27(34-25)33-21-4-5-22(24(29)14-21)19-7-12-36(2)13-8-19/h4-6,11,14-16,19H,3,7-9,12-13,17-18H2,1-2H3,(H2,31,33,34,35)","","2021-02-04","2022-01-07","{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile","2022-01-12"],["A1IIF","8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione","C28 H24 Cl2 N6 O4","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12;CN1c2c(n(c(n2)Oc3ccc(c(c3)Cl)N=Nc4ccccc4)Cc5ccc(cc5)Cl)C(=O)N(C1=O)CCCO","InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32-","","2024-07-17","2025-07-25","8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione","2025-07-30"],["L6T","alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside","C24 H46 O11","C1(OC(C(C(C1O)O)O)COCCCCCCCCCCCC)OC2C(C(C(C(CO)O2)O)O)O;CCCCCCCCCCCCOC[CH]1O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCOCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-14-16-18(27)20(29)22(31)24(34-16)35-23-21(30)19(28)17(26)15(13-25)33-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1","","2018-07-23","2018-12-21","alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside","2018-12-26"],["Y5E","mepyramine","C17 H23 N3 O","COc1ccc(CN(CCN(C)C)c2ccccn2)cc1;CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2","InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3","~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine","2023-11-21","2024-01-12","~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine","2024-01-17"],["Y5F","2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide","C13 H7 Cl N4 O3","O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O;[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(c2)C#N;c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)C#N)Cl","InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19)","","2023-01-05","2024-09-27","2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide","2024-04-17"],["A1BUY","2-(4-fluorobenzoyl)-N-[(3S)-oxolan-3-yl]benzamide","C18 H16 F N O3","O=C(NC1CCOC1)c1ccccc1C(=O)c1ccc(F)cc1;Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N[CH]3CCOC3;c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NC3CCOC3","InChI=1S/C18H16FNO3/c19-13-7-5-12(6-8-13)17(21)15-3-1-2-4-16(15)18(22)20-14-9-10-23-11-14/h1-8,14H,9-11H2,(H,20,22)/t14-/m0/s1","","2025-01-27","2026-01-23","2-(4-fluorobenzoyl)-N-[(3S)-oxolan-3-yl]benzamide","2026-01-28"],["L6U","(2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide","C28 H34 N4 O5 S","O=C(NC(c1cccs1)C(=O)NC(CCc1ccccc1)C(=O)NC)CNCc1ccc(OC)cc1OC;CNC(=O)[CH](CCc1ccccc1)NC(=O)[CH](NC(=O)CNCc2ccc(OC)cc2OC)c3sccc3;CNC(=O)C(CCc1ccccc1)NC(=O)C(c2cccs2)NC(=O)CNCc3ccc(cc3OC)OC","InChI=1S/C28H34N4O5S/c1-29-27(34)22(14-11-19-8-5-4-6-9-19)31-28(35)26(24-10-7-15-38-24)32-25(33)18-30-17-20-12-13-21(36-2)16-23(20)37-3/h4-10,12-13,15-16,22,26,30H,11,14,17-18H2,1-3H3,(H,29,34)(H,31,35)(H,32,33)/t22-,26+/m0/s1","","2022-02-28","2022-09-30","(2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide","2022-10-05"],["L6V","N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide","C19 H20 N2 O3 S2","c1cc(ccc1CS(NC(C2(CCCCC2)c3ccsc3)=O)(=O)=O)C#N;O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3;c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N","InChI=1S/C19H20N2O3S2/c20-12-15-4-6-16(7-5-15)14-26(23,24)21-18(22)19(9-2-1-3-10-19)17-8-11-25-13-17/h4-8,11,13H,1-3,9-10,14H2,(H,21,22)","","2019-02-07","2020-02-07","N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide","2020-02-12"],["Y5G","{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile","C28 H33 N9 O2 S","c5c(c3c4c(nc(Nc2ccc(C1CCN(C)CC1)cc2)n3)ncc4)cnn5C6(CN(C6)S(CC)(=O)=O)CC#N;CC[S](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4ccc(cc4)C5CCN(C)CC5)nc6[nH]ccc36;CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C","InChI=1S/C28H33N9O2S/c1-3-40(38,39)36-18-28(19-36,11-12-29)37-17-22(16-31-37)25-24-8-13-30-26(24)34-27(33-25)32-23-6-4-20(5-7-23)21-9-14-35(2)15-10-21/h4-8,13,16-17,21H,3,9-11,14-15,18-19H2,1-2H3,(H2,30,32,33,34)","","2021-02-04","2022-01-07","{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile","2022-01-12"],["A1BUZ","[2-(4-fluorobenzoyl)phenyl](pyrrolidin-1-yl)methanone","C18 H16 F N O2","O=C(c1ccccc1C(=O)c1ccc(F)cc1)N1CCCC1;Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N3CCCC3;c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)N3CCCC3","InChI=1S/C18H16FNO2/c19-14-9-7-13(8-10-14)17(21)15-5-1-2-6-16(15)18(22)20-11-3-4-12-20/h1-2,5-10H,3-4,11-12H2","","2025-01-27","2026-01-23","[2-(4-fluorobenzoyl)phenyl](pyrrolidin-1-yl)methanone","2026-01-28"],["A1BVA","5'-O-{[(2S,3R)-2,3-diaminobutanoyl]sulfamoyl}adenosine","C14 H22 N8 O7 S","CC(N)C(N)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;C[CH](N)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N)N","InChI=1S/C14H22N8O7S/c1-5(15)7(16)13(25)21-30(26,27)28-2-6-9(23)10(24)14(29-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-7,9-10,14,23-24H,2,15-16H2,1H3,(H,21,25)(H2,17,18,19)/t5-,6-,7+,9-,10-,14-/m1/s1","","2025-01-28","2025-12-05","5'-O-{[(2S,3R)-2,3-diaminobutanoyl]sulfamoyl}adenosine","2025-12-10"],["L6X","4-methoxy-3-oxidanyl-benzoic acid","C8 H8 O4","COc1ccc(cc1O)C(O)=O;COc1ccc(cc1O)C(=O)O","InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)","","2022-11-16","2023-11-17","4-methoxy-3-oxidanyl-benzoic acid","2023-11-22"],["Y5H","3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM","C22 H28 Cl N4 O3 S","C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4coc(n4)c5sc(Cl)cc5;C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4coc(n4)c5ccc(s5)Cl","InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)17-14-6-4-9-25(14)19(18(17)22(26)29)13-12-30-20(24-13)15-7-8-16(23)31-15/h7-8,12,14,17-19H,4-6,9-11H2,1-3H3/q+1/t14-,17-,18-,19-/m0/s1","","2011-01-13","2011-12-23","3-[(3aS,4R,5S,8aS,8bR)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium",""],["Y5I","3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid","C21 H20 F2 N2 O4 S","Cc1sc(nn1)c2ccc(OCCCOc3ccc(CCC(O)=O)c(F)c3)c(F)c2;Cc1nnc(s1)c2ccc(c(c2)F)OCCCOc3ccc(c(c3)F)CCC(=O)O","InChI=1S/C21H20F2N2O4S/c1-13-24-25-21(30-13)15-4-7-19(18(23)11-15)29-10-2-9-28-16-6-3-14(17(22)12-16)5-8-20(26)27/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,26,27)","","2023-06-12","2024-05-10","3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid","2024-05-15"],["L6Y","2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione","C19 H11 N O4","ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c4ccccc4;c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O","InChI=1S/C19H11NO4/c21-17(11-5-2-1-3-6-11)13-9-10-15-16-12(13)7-4-8-14(16)18(22)20(24)19(15)23/h1-10,24H","","2015-09-08","2016-01-15","2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione","2016-01-20"],["Y5J","4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C15 H11 Cl N4 O3","c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)occ4;COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccoc34;COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl","InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)","","2020-05-20","2021-09-17","4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2021-09-22"],["A1BVE","2-(4-fluorobenzoyl)-N-(2-sulfamoylethyl)benzamide","C16 H15 F N2 O4 S","O=C(c1ccc(F)cc1)c1ccccc1C(=O)NCCS(N)(=O)=O;N[S](=O)(=O)CCNC(=O)c1ccccc1C(=O)c2ccc(F)cc2;c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NCCS(=O)(=O)N","InChI=1S/C16H15FN2O4S/c17-12-7-5-11(6-8-12)15(20)13-3-1-2-4-14(13)16(21)19-9-10-24(18,22)23/h1-8H,9-10H2,(H,19,21)(H2,18,22,23)","","2025-01-28","2026-01-23","2-(4-fluorobenzoyl)-N-(2-sulfamoylethyl)benzamide","2026-01-28"],["L70","(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide","C19 H28 Cl2 N4 O2 S2","CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N;CN(C)CCSSCCNC(=O)C1CCCN(C1)C(=O)c2cc(cc(c2N)Cl)Cl","InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1","","2022-06-20","2024-09-27","(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide","2023-04-26"],["L71","(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione","C13 H16 N2 O2","O=C2N(C(=O)CC2c1cccc(c1)CN)CC;CCN1C(=O)C[CH](C1=O)c2cccc(CN)c2;CCN1C(=O)CC(C1=O)c2cccc(c2)CN","InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1","","2014-07-02","2024-09-27","(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione","2015-03-04"],["Y5L","4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C16 H15 Cl N4 O2","c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)CCC4;COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4CCCc34;COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4","InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22)","","2020-05-20","2021-09-17","4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2021-09-22"],["L73","N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide","C30 H44 N4 O4","COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C)C)NC(=O)CNCCCC)C(=O)NC)ccc1;CCCCNCC(=O)N[CH](Cc1ccc(cc1)C(C)(C)C)C(=O)N[CH](Cc2cccc(OC)c2)C(=O)NC;CCCCNCC(=O)NC(Cc1ccc(cc1)C(C)(C)C)C(=O)NC(Cc2cccc(c2)OC)C(=O)NC","InChI=1S/C30H44N4O4/c1-7-8-16-32-20-27(35)33-26(18-21-12-14-23(15-13-21)30(2,3)4)29(37)34-25(28(36)31-5)19-22-10-9-11-24(17-22)38-6/h9-15,17,25-26,32H,7-8,16,18-20H2,1-6H3,(H,31,36)(H,33,35)(H,34,37)/t25-,26+/m0/s1","","2022-02-28","2022-09-30","N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide","2022-10-05"],["A1BVQ","N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide","C25 H25 N3 O6","O=C1COc2ccc(cc2N1)C(=O)NC1COC(CCc2ccnc3ccc(OC)cc23)OC1;COc1ccc2nccc(CC[CH]3OC[CH](CO3)NC(=O)c4ccc5OCC(=O)Nc5c4)c2c1;COc1ccc2c(c1)c(ccn2)CCC3OCC(CO3)NC(=O)c4ccc5c(c4)NC(=O)CO5","InChI=1S/C25H25N3O6/c1-31-18-4-5-20-19(11-18)15(8-9-26-20)3-7-24-33-12-17(13-34-24)27-25(30)16-2-6-22-21(10-16)28-23(29)14-32-22/h2,4-6,8-11,17,24H,3,7,12-14H2,1H3,(H,27,30)(H,28,29)","","2025-01-31","2025-04-04","N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide","2025-04-09"],["Y5M","7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one","C17 H18 N4 O2","Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4;COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4CCCc34;Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2","InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22)","","2020-05-20","2021-09-17","7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one","2021-09-22"],["A1BVR","5-(5-bromo-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl)-3-chloropyridine-2-carbonitrile","C19 H16 Br Cl N4 O","Clc1cc(cnc1C#N)N1CCC2(CC1)C(=O)N(C)c1ccc(Br)cc12;CN1C(=O)C2(CCN(CC2)c3cnc(C#N)c(Cl)c3)c4cc(Br)ccc14;CN1c2ccc(cc2C3(C1=O)CCN(CC3)c4cc(c(nc4)C#N)Cl)Br","InChI=1S/C19H16BrClN4O/c1-24-17-3-2-12(20)8-14(17)19(18(24)26)4-6-25(7-5-19)13-9-15(21)16(10-22)23-11-13/h2-3,8-9,11H,4-7H2,1H3","","2025-01-31","2025-05-23","5-(5-bromo-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl)-3-chloropyridine-2-carbonitrile","2025-05-28"],["L74","3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine","C18 H19 Cl N4","c2cc1c(cnc1nc2)CN3CCN(CC3)c4ccc(Cl)cc4;Clc1ccc(cc1)N2CCN(CC2)Cc3c[nH]c4ncccc34;c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl","InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","","2018-11-21","2019-11-29","3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine","2019-12-04"],["Y5N","3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline","C19 H16 Cl2 N2","Clc1cccc(N[CH](Cc2ccccc2)c3ccc(Cl)nc3)c1;c1ccc(cc1)CC(c2ccc(nc2)Cl)Nc3cccc(c3)Cl","InChI=1S/C19H16Cl2N2/c20-16-7-4-8-17(12-16)23-18(11-14-5-2-1-3-6-14)15-9-10-19(21)22-13-15/h1-10,12-13,18,23H,11H2/t18-/m0/s1","","2023-11-21","2024-01-12","3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline","2024-01-17"],["L75","N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE","C39 H48 N4 O5","O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc6oc5ccccc5c6;CC(C)(C)NC(=O)[CH]1CN(CCN1C[CH](O)C[CH](Cc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)Cc5oc6ccccc6c5;CC(C)(C)NC(=O)C1CN(CCN1CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4CC3O)O)Cc5cc6ccccc6o5","InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36+/m1/s1","L-756,423","2000-01-04","2021-03-13","(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name)",""],["Y5O","2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide","C13 H7 Cl N4 O3","N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1;[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccc(nc2)C#N;c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc(nc2)C#N)Cl","InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19)","","2023-01-05","2024-09-27","2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide","2024-04-17"],["A1BVU","N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide","C23 H27 F2 N3 O4","Cc1c(c(C)n(C)c1C(=O)C(=O)NC1CCC(O)CC1)C(=O)Nc1cc(ccc1)C(F)F;Cn1c(C)c(c(C)c1C(=O)C(=O)N[CH]2CC[CH](O)CC2)C(=O)Nc3cccc(c3)C(F)F;Cc1c(c(n(c1C(=O)C(=O)NC2CCC(CC2)O)C)C)C(=O)Nc3cccc(c3)C(F)F","InChI=1S/C23H27F2N3O4/c1-12-18(22(31)27-16-6-4-5-14(11-16)21(24)25)13(2)28(3)19(12)20(30)23(32)26-15-7-9-17(29)10-8-15/h4-6,11,15,17,21,29H,7-10H2,1-3H3,(H,26,32)(H,27,31)/t15-,17+","","2025-02-03","2025-06-27","N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide","2025-07-02"],["L76","1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine","C26 H28 F7 N5 O2","Fc1ccc(cc1)C2N(CCOC2OC(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)C)nnn4;C[CH](O[CH]1OCCN(Cc2nn[nH]c2CN(C)C)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F;CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F","InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1","","2018-07-20","2018-12-07","1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine","2018-12-12"],["Y5P","1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine","C9 H15 N2 O7 P","O=P(O)(O)OCC2OC(N1C=NCC=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CCN=C2;C1C=CN(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H15N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1,3,5-9,12-13H,2,4H2,(H2,14,15,16)/t6-,7-,8-,9-/m1/s1","PYRIMIDINE RIBOSIDE-5'-MONOPHOSPHATE","2014-09-25","2020-06-17","1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine","2014-10-08"],["L77","2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide","C22 H15 Cl F4 N2 O3 S","N(C(=O)c1c(cccc1Cl)F)c2cc3N(CCc3cc2)S(=O)(=O)c4cc(ccc4)C(F)(F)F;Fc1cccc(Cl)c1C(=O)Nc2ccc3CCN(c3c2)[S](=O)(=O)c4cccc(c4)C(F)(F)F;c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F","InChI=1S/C22H15ClF4N2O3S/c23-17-5-2-6-18(24)20(17)21(30)28-15-8-7-13-9-10-29(19(13)12-15)33(31,32)16-4-1-3-14(11-16)22(25,26)27/h1-8,11-12H,9-10H2,(H,28,30)","","2019-02-07","2019-07-05","2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide","2019-07-10"],["Y5Q","(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C48 H61 Cl2 N9 O9 S2","C[CH](N1C[CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O)c4cn(CCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCn4cc(nn4)C(C)N5CC(C6CCCC(C5=O)N6S(=O)(=O)c7cc(cc(c7)Cl)Cl)C=C)O","InChI=1S/C48H61Cl2N9O9S2/c1-7-32-24-57(46(63)40-10-8-9-39(32)59(40)70(65,66)37-20-34(49)19-35(50)21-37)30(3)38-26-56(55-54-38)15-16-67-17-18-68-27-42(61)53-44(48(4,5)6)47(64)58-25-36(60)22-41(58)45(62)51-23-31-11-13-33(14-12-31)43-29(2)52-28-69-43/h7,11-14,19-21,26,28,30,32,36,39-41,44,60H,1,8-10,15-18,22-25,27H2,2-6H3,(H,51,62)(H,53,61)/t30-,32-,36+,39+,40-,41-,44+/m0/s1","","2023-06-12","2023-11-10","(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-11-15"],["A1BVY","1-phenyl-1H-tetrazole","C7 H6 N4","c1ccc(cc1)n1cnnn1;c1ccc(cc1)n2cnnn2;c1ccc(cc1)n2cnnn2","InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H","","2025-02-03","2025-05-16","1-phenyl-1H-tetrazole","2025-05-21"],["A1BVZ","2-acetylbenzoic acid","C9 H8 O3","OC(=O)c1ccccc1C(C)=O;CC(=O)c1ccccc1C(O)=O;CC(=O)c1ccccc1C(=O)O","InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)","","2025-02-03","2025-05-16","2-acetylbenzoic acid","2025-05-21"],["Y5R","desloratadine","C19 H19 Cl N2","Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1;c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl","InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2","13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene","2023-11-21","2024-01-12","13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene","2024-01-17"],["L79","(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID","C25 H30 O3","O=C(O)C=CC3OC4C=CC=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)C4C3;CC1(C)CCC(C)(C)c2cc(ccc12)C3=CC=C[CH]4O[CH](C[CH]34)C=CC(O)=O;CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)C=CC(=O)O)(C)C)C","InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h5-11,14,17,19,22H,12-13,15H2,1-4H3,(H,26,27)/b11-9+/t17-,19?,22?/m1/s1","","2003-12-09","2011-06-04","(2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid",""],["Y5S","(1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H41 N3 O8 S","CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)NC(OCC3CC2CCCC(C2)C3)=O)C;CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCCC(C3)C2","InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1","","2021-02-04","2024-09-27","(1S,2S)-2-{[N-({[(3-endo)-bicyclo[3.3.1]nonan-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L7A","N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide","C17 H13 N3 O2","O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3;O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3;c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3","InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)","3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one","2011-05-26","2020-06-17","N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide",""],["L7C","(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide","C19 H20 F N3 O2","O=C(Nc1ccccn1)C1CCN(C1)C(=O)CCc1ccccc1F;Fc1ccccc1CCC(=O)N2CC[CH](C2)C(=O)Nc3ccccn3;c1ccc(c(c1)CCC(=O)N2CCC(C2)C(=O)Nc3ccccn3)F","InChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1","","2022-02-28","2022-04-22","(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide","2022-04-27"],["Y5T","2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide","C13 H10 Cl N3 O3","Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1;Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1;Cc1cc(ccn1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]","InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18)","","2023-01-05","2024-09-27","2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide","2024-04-17"],["Y5U","(2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide)","C20 H16 N8 Se","N=C(N)c1ccc2nc([NH]c2c1)c1ccc([se]1)c1[NH]c2cc(ccc2n1)C(=N)N;NC(=N)c1ccc2nc([nH]c2c1)c3[se]c(cc3)c4[nH]c5cc(ccc5n4)C(N)=N;c1cc2c(cc1C(=N)N)[nH]c(n2)c3ccc([se]3)c4[nH]c5cc(ccc5n4)C(=N)N","InChI=1S/C20H16N8Se/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)","","2023-06-12","2024-06-07","(2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide)","2024-06-12"],["L7D","1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol","C20 H17 F7 O3 S","c3c(ccc(S(C1(CCCC1)c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)(=O)=O)c3)F;OC(c1ccc(cc1)C2(CCCC2)[S](=O)(=O)c3ccc(F)cc3)(C(F)(F)F)C(F)(F)F;c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C20H17F7O3S/c21-15-7-9-16(10-8-15)31(29,30)17(11-1-2-12-17)13-3-5-14(6-4-13)18(28,19(22,23)24)20(25,26)27/h3-10,28H,1-2,11-12H2","","2019-02-08","2020-02-07","1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol","2020-02-12"],["L7F","2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide","C14 H18 N2 O","O=C(Nc1cnccc1C)CC12CC2CCC1;Cc1ccncc1NC(=O)C[C]23CCC[CH]2C3;Cc1ccncc1NC(=O)CC23CCCC2C3","InChI=1S/C14H18N2O/c1-10-4-6-15-9-12(10)16-13(17)8-14-5-2-3-11(14)7-14/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-,14+/m1/s1","","2023-08-15","2023-11-03","2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["Y5V","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide","C21 H21 N3 O5","c1ccc(c(c1)C2=NC(=C(C(N2)=O)O)C(NCCc3cc(c(cc3)O)OC)=O)C;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3C)ccc1O;Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O","InChI=1S/C21H21N3O5/c1-12-5-3-4-6-14(12)19-23-17(18(26)21(28)24-19)20(27)22-10-9-13-7-8-15(25)16(11-13)29-2/h3-8,11,25-26H,9-10H2,1-2H3,(H,22,27)(H,23,24,28)","","2021-02-05","2022-02-04","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2022-02-09"],["A1BWF","3-methyl-N-(5-{4-[(1r,4S)-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl]piperazin-1-yl}pentanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","C47 H66 N10 O5 S","CC(C)N1c2nc(ncc2C=CC1=O)NC1CCC(CC1)N1CCN(CC1)CCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C;CC(C)N1C(=O)C=Cc2cnc(N[CH]3CC[CH](CC3)N4CCN(CCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)CC4)nc12;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCN4CCN(CC4)C5CCC(CC5)Nc6ncc7c(n6)N(C(=O)C=C7)C(C)C)O","InChI=1S/C47H66N10O5S/c1-30(2)57-40(60)19-14-34-27-49-46(53-43(34)57)51-35-15-17-36(18-16-35)55-23-21-54(22-24-55)20-8-7-9-39(59)52-42(47(4,5)6)45(62)56-28-37(58)25-38(56)44(61)48-26-32-10-12-33(13-11-32)41-31(3)50-29-63-41/h10-14,19,27,29-30,35-38,42,58H,7-9,15-18,20-26,28H2,1-6H3,(H,48,61)(H,52,59)(H,49,51,53)/t35-,36-,37-,38+,42-/m1/s1","","2025-02-10","2025-10-31","3-methyl-N-(5-{4-[(1r,4S)-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl]piperazin-1-yl}pentanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","2025-11-05"],["Y5X","2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide","C12 H7 Cl F N3 O3","O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O;[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(F)c2;c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)F)Cl","InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18)","","2023-01-05","2024-09-27","2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide","2024-04-17"],["L7G","(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione","C23 H31 N5 O3 S2","O=C2NCc1nccc(c1)C3=NC(C(=O)NC(C(=O)NC(/C=C/CCS)C2)C(C)C)(C)CS3;CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2)c3ccnc(CNC(=O)C[CH](NC1=O)C=CCCS)c3;CC(C)C1C(=O)NC(CC(=O)NCc2cc(ccn2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1","","2014-10-23","2015-04-03","(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione","2015-04-08"],["Y5Y","cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone","C20 H24 N8 O","CCn4c(nc1c4ncnc1NC3CCN(C(C2CC2)=O)C3)c5cnc(nc5)C;CCn1c2ncnc(N[CH]3CCN(C3)C(=O)C4CC4)c2nc1c5cnc(C)nc5;CCn1c2c(c(ncn2)NC3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C","InChI=1S/C20H24N8O/c1-3-28-18(14-8-21-12(2)22-9-14)26-16-17(23-11-24-19(16)28)25-15-6-7-27(10-15)20(29)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3,(H,23,24,25)/t15-/m0/s1","","2021-02-05","2021-04-16","cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone","2021-04-21"],["L7H","~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine","C23 H25 F3 N4 O3","COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[CH]4CCOC4;Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cc(c3)N)C(F)(F)F)OC4CCOC4)OC","InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1","","2019-07-24","2020-08-21","~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine","2020-08-26"],["A1BWR","(2~5~R)-2~3~,2~3~,2~5~-trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol","C21 H26 O2","CC1(C)CC(C)CC(C1)(c1ccc(O)cc1)c1ccc(O)cc1;C[CH]1CC(C)(C)CC(C1)(c2ccc(O)cc2)c3ccc(O)cc3;CC1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C","InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3/t15-/m1/s1","","2025-02-13","2026-01-30","(2~5~R)-2~3~,2~3~,2~5~-trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol","2026-02-04"],["L7I","5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine","C14 H15 F N4 O2 S","O=S(C)(=O)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1;C[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3ccc(F)cc3;CS(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(cc3)F","InChI=1S/C14H15FN4O2S/c1-22(20,21)19-7-10(8-19)13-12(6-17-14(16)18-13)9-2-4-11(15)5-3-9/h2-6,10H,7-8H2,1H3,(H2,16,17,18)","","2022-02-28","2022-04-22","5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine","2022-04-27"],["Y5Z","N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid","C27 H31 F N6 O9","O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21)C(=O)O;NC1=Nc2ccn(CCCCc3ccc(c(F)c3)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)c2C(=O)N1;c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C27H31FN6O9/c28-16-13-14(3-1-2-11-34-12-10-17-22(34)24(39)33-27(29)32-17)4-5-15(16)23(38)31-19(26(42)43)6-8-20(35)30-18(25(40)41)7-9-21(36)37/h4-5,10,12-13,18-19H,1-3,6-9,11H2,(H,30,35)(H,31,38)(H,36,37)(H,40,41)(H,42,43)(H3,29,32,33,39)/t18-,19-/m0/s1","","2023-06-12","2024-02-16","N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid","2024-02-21"],["L7J","6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole","C21 H15 Cl2 F3 N2 O3 S","c1(cc(ccc1)C(F)(F)F)S(N3CCc2ccc(cc23)OCc4c(cncc4Cl)Cl)(=O)=O;FC(F)(F)c1cccc(c1)[S](=O)(=O)N2CCc3ccc(OCc4c(Cl)cncc4Cl)cc23;c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F","InChI=1S/C21H15Cl2F3N2O3S/c22-18-10-27-11-19(23)17(18)12-31-15-5-4-13-6-7-28(20(13)9-15)32(29,30)16-3-1-2-14(8-16)21(24,25)26/h1-5,8-11H,6-7,12H2","","2019-02-08","2019-07-05","6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole","2019-07-10"],["Y60","(2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one","C13 H18 Cl N O","C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1;CC(C(=O)c1cccc(c1)Cl)NC(C)(C)C","InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m1/s1","","2023-11-21","2024-08-02","(2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one","2024-08-07"],["Y61","N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide","C26 H30 N4 O2 S","N(C(c1cc(ccc1C)NC2CNC2)=O)C(c3cc(ccc3)c4sc(cc4)CNC(C)=O)C;C[CH](NC(=O)c1cc(NC2CNC2)ccc1C)c3cccc(c3)c4sc(CNC(C)=O)cc4;Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4","InChI=1S/C26H30N4O2S/c1-16-7-8-21(30-22-13-27-14-22)12-24(16)26(32)29-17(2)19-5-4-6-20(11-19)25-10-9-23(33-25)15-28-18(3)31/h4-12,17,22,27,30H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t17-/m1/s1","","2021-02-05","2021-02-19","N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide","2021-02-24"],["L7K","[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane","C16 H24 N6","NN[CH](C1CCCCC1)c2nnnn2CCc3ccccc3;c1ccc(cc1)CCn2c(nnn2)C(C3CCCCC3)NN","InChI=1S/C16H24N6/c17-18-15(14-9-5-2-6-10-14)16-19-20-21-22(16)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12,17H2/t15-/m1/s1","","2019-07-25","2020-08-21","[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane","2020-08-26"],["A1BWY","(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-({(1s,4S)-4-[1-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexyl}amino)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide","C29 H31 F3 N8 O2","FC(F)n1cc(cn1)C1CCC(Nc2cc(ncc2C(=O)NCC(F)C(C)(C)O)c2ccc3cc(C#N)cnn32)CC1;CC(C)(O)[CH](F)CNC(=O)c1cnc(cc1N[CH]2CC[CH](CC2)c3cnn(c3)C(F)F)c4ccc5cc(cnn45)C#N;CC(C)(C(CNC(=O)c1cnc(cc1NC2CCC(CC2)c3cnn(c3)C(F)F)c4ccc5n4ncc(c5)C#N)F)O","InChI=1S/C29H31F3N8O2/c1-29(2,42)26(30)15-35-27(41)22-14-34-24(25-8-7-21-9-17(11-33)12-37-40(21)25)10-23(22)38-20-5-3-18(4-6-20)19-13-36-39(16-19)28(31)32/h7-10,12-14,16,18,20,26,28,42H,3-6,15H2,1-2H3,(H,34,38)(H,35,41)/t18-,20+,26-/m0/s1","","2025-02-14","2025-05-23","(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-({(1s,4S)-4-[1-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexyl}amino)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide","2025-05-28"],["L7L","(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide","C19 H27 Cl2 N3 O3 S2","CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2;CN(C)CCSSCCNC(=O)C1CCCN(C1)C(=O)c2cc(c(c(c2)Cl)O)Cl","InChI=1S/C19H27Cl2N3O3S2/c1-23(2)7-9-29-28-8-5-22-18(26)13-4-3-6-24(12-13)19(27)14-10-15(20)17(25)16(21)11-14/h10-11,13,25H,3-9,12H2,1-2H3,(H,22,26)/t13-/m0/s1","","2022-06-20","2024-09-27","(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide","2023-04-26"],["Y62","2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide","C13 H7 Cl N4 O3","O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O;[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccc(cn2)C#N;c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc(cn2)C#N)Cl","InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19)","","2023-01-05","2024-09-27","2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide","2024-04-17"],["A1BWZ","(6P)-4-{[(1S)-1-cyanoethyl]amino}-6-[(8S)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide","C22 H22 F N7 O2","CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC(C)C#N)c1ccc2cc(cnn12)C#N;C[CH](Nc1cc(ncc1C(=O)NC[CH](F)C(C)(C)O)c2ccc3cc(cnn23)C#N)C#N;CC(C#N)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)c2ccc3n2ncc(c3)C#N","InChI=1S/C22H22FN7O2/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31)","","2025-02-14","2025-05-23","(6P)-4-{[(1S)-1-cyanoethyl]amino}-6-[(8S)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide","2025-05-28"],["L7M","2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide","C35 H37 Cl N4 O5 S","c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCCCNS(c4cccc5c4cccc5N(C)C)(=O)=O)=O;COc1ccc2n(c(C)c(CC(=O)NCCCCN[S](=O)(=O)c3cccc4c(cccc34)N(C)C)c2c1)C(=O)c5ccc(Cl)cc5;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C","InChI=1S/C35H37ClN4O5S/c1-23-29(30-21-26(45-4)17-18-32(30)40(23)35(42)24-13-15-25(36)16-14-24)22-34(41)37-19-5-6-20-38-46(43,44)33-12-8-9-27-28(33)10-7-11-31(27)39(2)3/h7-18,21,38H,5-6,19-20,22H2,1-4H3,(H,37,41)","","2017-11-10","2018-11-09","2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide","2018-11-14"],["Y63","4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid","C37 H37 F N6 O4","O=C(O)CCC(=O)N1C2CCC1CN(C2)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(C#C)c21)OCC12CCCN2CCC1;OC(=O)CCC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OCC45CCCN4CCC5)nc6c(F)c(ncc36)c7cccc8cccc(C#C)c78;C#Cc1cccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7CC8CCC(C7)N8C(=O)CCC(=O)O)F","InChI=1S/C37H37FN6O4/c1-2-23-7-3-8-24-9-4-10-27(31(23)24)33-32(38)34-28(19-39-33)35(41-36(40-34)48-22-37-15-5-17-43(37)18-6-16-37)42-20-25-11-12-26(21-42)44(25)29(45)13-14-30(46)47/h1,3-4,7-10,19,25-26H,5-6,11-18,20-22H2,(H,46,47)/t25-,26+","","2023-06-12","2024-09-27","4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid","2024-03-13"],["A1BXA","4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide","C15 H15 F N6 O6 S2","O=C(c1cccc(OS(F)(O)O)c1)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3cccc(O[S](O)(O)F)c3;c1cc(cc(c1)OS(O)(O)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C15H15FN6O6S2/c16-30(26,27)28-11-3-1-2-9(8-11)13(23)22-14(17)20-15(21-22)19-10-4-6-12(7-5-10)29(18,24)25/h1-8,26-27H,(H2,18,24,25)(H3,17,19,20,21)","","2025-02-18","2025-10-31","4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide","2025-11-05"],["A1BXB","Pritelivir","C18 H18 N4 O3 S2","Cc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)c1ccccn1;CN(C(=O)Cc1ccc(cc1)c2ccccn2)c3sc(c(C)n3)[S](N)(=O)=O;Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3ccccn3)S(=O)(=O)N","InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)","N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide","2025-02-19","2025-08-08","N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide","2025-08-13"],["Y64","(1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H39 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CC=CC(C3)C2","InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1","","2021-02-08","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{R},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L7N","(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium","C11 H15 N3 O7 P","Cc1ncc(CO[P](O)(O)=O)c(C=[NH+][CH]2CONC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=[NH+]C2CONC2=O)O","InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2-3,9,15H,4-5H2,1H3,(H,14,16)(H2,17,18,19)/p+1/b13-3+/t9-/m1/s1","","2019-07-26","2020-03-27","(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium","2020-04-01"],["A1BXE","N-(5-amino-2-methylphenyl)-3-methylbenzamide","C15 H16 N2 O","O=C(Nc1cc(N)ccc1C)c1cccc(C)c1;Cc1cccc(c1)C(=O)Nc2cc(N)ccc2C;Cc1cccc(c1)C(=O)Nc2cc(ccc2C)N","InChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)15(18)17-14-9-13(16)7-6-11(14)2/h3-9H,16H2,1-2H3,(H,17,18)","","2025-02-20","2025-02-28","N-(5-amino-2-methylphenyl)-3-methylbenzamide","2025-03-05"],["L7O","N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide","C22 H24 N6 O2","O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4;CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4;CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4","InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)","3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one","2011-05-26","2021-03-01","N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide",""],["Y65","(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid","C21 H30 N8 O15 P2","N[CH](Cc1cn(cn1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O;c1c(ncn1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)CC(C(=O)O)N","InChI=1S/C21H30N8O15P2/c22-9(21(34)35)1-8-2-28(6-26-8)19-15(32)13(30)10(42-19)3-40-45(36,37)44-46(38,39)41-4-11-14(31)16(33)20(43-11)29-7-27-12-17(23)24-5-25-18(12)29/h2,5-7,9-11,13-16,19-20,30-33H,1,3-4,22H2,(H,34,35)(H,36,37)(H,38,39)(H2,23,24,25)/t9-,10+,11+,13+,14+,15+,16+,19+,20+/m0/s1","","2023-11-21","2025-04-11","(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid","2025-04-16"],["Y66","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate","C40 H46 N12 O17 P2 S","Cc1nnc(NC(=O)c2ccc(cc2)C2CC(O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C4=NC(=O)NC(=O)C432)s1;Cc1sc(NC(=O)c2ccc(cc2)[CH]3C[CH](O)N4c5cc(C)c(C)cc5N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)C9=NC(=O)NC(=O)[C]349)nn1;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccc(cc8)C(=O)Nc9nnc(s9)C)O","InChI=1S/C40H46N12O17P2S/c1-16-8-22-23(9-17(16)2)52-27(55)10-21(19-4-6-20(7-5-19)34(59)45-39-49-48-18(3)72-39)40(52)36(46-38(61)47-37(40)60)50(22)11-24(53)29(56)25(54)12-66-70(62,63)69-71(64,65)67-13-26-30(57)31(58)35(68-26)51-15-44-28-32(41)42-14-43-33(28)51/h4-9,14-15,21,24-27,29-31,35,53-58H,10-13H2,1-3H3,(H,62,63)(H,64,65)(H2,41,42,43)(H,45,49,59)(H,47,60,61)/t21-,24+,25-,26+,27+,29+,30+,31+,35+,40-/m0/s1","","2023-01-06","2024-06-21","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2024-06-26"],["L7P","1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol","C26 H24 F7 N3 O","C(O)(C(F)(F)F)(c4cc(F)c(c3ccc(CN1CCN(CC1)Cc2ccncc2)cc3)cc4)C(F)(F)F;OC(c1ccc(c(F)c1)c2ccc(CN3CCN(CC3)Cc4ccncc4)cc2)(C(F)(F)F)C(F)(F)F;c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2","","2019-02-08","2019-07-05","1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol","2019-07-10"],["A1BXF","7,8-dichloro-2-methylquinolin-4-amine","C10 H8 Cl2 N2","Clc1c(Cl)ccc2c(N)cc(C)nc12;Cc1cc(N)c2ccc(Cl)c(Cl)c2n1;Cc1cc(c2ccc(c(c2n1)Cl)Cl)N","InChI=1S/C10H8Cl2N2/c1-5-4-8(13)6-2-3-7(11)9(12)10(6)14-5/h2-4H,1H3,(H2,13,14)","","2025-02-20","2025-02-28","7,8-dichloro-2-methylquinolin-4-amine","2025-03-05"],["L7Q","3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide","C17 H20 N2 O","O=C(Nc1cnccc1C)CC(C)(C)c1ccccc1;Cc1ccncc1NC(=O)CC(C)(C)c2ccccc2;Cc1ccncc1NC(=O)CC(C)(C)c2ccccc2","InChI=1S/C17H20N2O/c1-13-9-10-18-12-15(13)19-16(20)11-17(2,3)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,19,20)","","2023-08-15","2023-11-03","3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide","2023-11-08"],["A1BXQ","[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone","C23 H25 N3 O2","NC1CCN(C1)C(=O)c1ccccc1Cc1cccc2c1nc(C)cc2CO;Cc1cc(CO)c2cccc(Cc3ccccc3C(=O)N4CC[CH](N)C4)c2n1;Cc1cc(c2cccc(c2n1)Cc3ccccc3C(=O)N4CCC(C4)N)CO","InChI=1S/C23H25N3O2/c1-15-11-18(14-27)20-8-4-6-17(22(20)25-15)12-16-5-2-3-7-21(16)23(28)26-10-9-19(24)13-26/h2-8,11,19,27H,9-10,12-14,24H2,1H3/t19-/m1/s1","","2025-02-20","2025-02-28","[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone","2025-03-05"],["Y67","2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide","C26 H20 Cl N5 O2","Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)C5=CC=CNC5=O)c1;c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O","InChI=1S/C26H20ClN5O2/c27-20-6-3-5-18(15-20)16-31(25(33)17-32-24-9-2-1-8-23(24)29-30-32)21-12-10-19(11-13-21)22-7-4-14-28-26(22)34/h1-15H,16-17H2,(H,28,34)","","2021-02-08","2021-08-06","2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide","2021-08-11"],["L7R","3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide","C15 H18 F N5 O2 S","O=S(=O)(N(C)C)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1;CN(C)[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3ccc(F)cc3;CN(C)S(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(cc3)F","InChI=1S/C15H18FN5O2S/c1-20(2)24(22,23)21-8-11(9-21)14-13(7-18-15(17)19-14)10-3-5-12(16)6-4-10/h3-7,11H,8-9H2,1-2H3,(H2,17,18,19)","","2022-02-28","2022-04-22","3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide","2022-04-27"],["A1BXR","1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one","C17 H21 N3 O2","NC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO;Cc1cc(CO)c2cccc(CC(=O)N3CC[CH](N)C3)c2n1;Cc1cc(c2cccc(c2n1)CC(=O)N3CCC(C3)N)CO","InChI=1S/C17H21N3O2/c1-11-7-13(10-21)15-4-2-3-12(17(15)19-11)8-16(22)20-6-5-14(18)9-20/h2-4,7,14,21H,5-6,8-10,18H2,1H3/t14-/m1/s1","","2025-02-20","2025-02-28","1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one","2025-03-05"],["Y68","[3-chloro-5-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C22 H19 Cl F3 N5 O4","FC(F)(F)Oc1cc(cc(Cl)c1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)c1;c1cc2c(cc1C(=O)N3CC4CN(CC4C3)C(=O)OCc5cc(cc(c5)Cl)OC(F)(F)F)nn[nH]2","InChI=1S/C22H19ClF3N5O4/c23-16-3-12(4-17(6-16)35-22(24,25)26)11-34-21(33)31-9-14-7-30(8-15(14)10-31)20(32)13-1-2-18-19(5-13)28-29-27-18/h1-6,14-15H,7-11H2,(H,27,28,29)","","2023-06-12","2024-12-13","[3-chloro-5-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["Y69","11-[2-(2-ethoxyethoxy)ethoxy]undecanal","C17 H34 O4","O=CCCCCCCCCCCOCCOCCOCC;CCOCCOCCOCCCCCCCCCCC=O;CCOCCOCCOCCCCCCCCCCC=O","InChI=1S/C17H34O4/c1-2-19-14-15-21-17-16-20-13-11-9-7-5-3-4-6-8-10-12-18/h12H,2-11,13-17H2,1H3","","2014-05-06","2014-12-19","11-[2-(2-ethoxyethoxy)ethoxy]undecanal","2014-12-24"],["A1BXS","1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one","C18 H23 N3 O2","NCC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO;Cc1cc(CO)c2cccc(CC(=O)N3CC[CH](CN)C3)c2n1;Cc1cc(c2cccc(c2n1)CC(=O)N3CCC(C3)CN)CO","InChI=1S/C18H23N3O2/c1-12-7-15(11-22)16-4-2-3-14(18(16)20-12)8-17(23)21-6-5-13(9-19)10-21/h2-4,7,13,22H,5-6,8-11,19H2,1H3/t13-/m0/s1","","2025-02-20","2025-02-28","1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one","2025-03-05"],["L7S","3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide","C13 H14 N2 O3","O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC;CCN1C(=O)C[CH](C1=O)c2cccc(c2)C(N)=O;CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N","InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1","","2014-07-02","2024-09-27","3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide","2015-03-04"],["Y6A","2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide","C22 H18 N6 O S","O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]nc5;c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5","InChI=1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24)","","2021-02-08","2021-08-06","2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide","2021-08-11"],["L7T","2,3,4,5,6-pentafluorobenzenesulfonamide","C6 H2 F5 N O2 S","N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F;c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F","InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)","","2019-07-26","2020-04-10","2,3,4,5,6-pentakis(fluoranyl)benzenesulfonamide","2020-04-15"],["A1BXV","N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide","C19 H25 N3 O2","Cc1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1;Cc1cc(CO)c2cccc(NC(=O)CCC3CCNCC3)c2n1;Cc1cc(c2cccc(c2n1)NC(=O)CCC3CCNCC3)CO","InChI=1S/C19H25N3O2/c1-13-11-15(12-23)16-3-2-4-17(19(16)21-13)22-18(24)6-5-14-7-9-20-10-8-14/h2-4,11,14,20,23H,5-10,12H2,1H3,(H,22,24)","","2025-02-20","2025-02-28","N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide","2025-03-05"],["Y6C","4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid","C16 H11 N3 O3","OC(=O)C=CC(=O)Nc1cc2cccnc2c3ncccc13;c1cc2cc(c3cccnc3c2nc1)NC(=O)C=CC(=O)O","InChI=1S/C16H11N3O3/c20-13(5-6-14(21)22)19-12-9-10-3-1-7-17-15(10)16-11(12)4-2-8-18-16/h1-9H,(H,19,20)(H,21,22)/b6-5-","","2023-12-11","2024-12-06","4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid","2024-12-11"],["L7U","~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide","C26 H37 N3 O3 S2","COc1ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C;CC(c1ccc2cc(ccc2c1)OC)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C","InChI=1S/C26H37N3O3S2/c1-19(21-5-6-23-18-24(32-4)8-7-22(23)17-21)26(31)29-12-9-20(10-13-29)25(30)27-11-15-33-34-16-14-28(2)3/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)/t19-/m1/s1","","2022-06-20","2024-09-27","~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide","2023-04-26"],["A1BXY","prop-2-ynoic acid","C3 H2 O2","C#CC(=O)O;OC(=O)C#C;C#CC(=O)O","InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)","","2025-02-21","2025-03-28","prop-2-ynoic acid","2025-04-02"],["Y6D","2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide","C24 H19 N5 O S","O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5cccnc5;c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5","InChI=1S/C24H19N5OS/c30-24(16-29-23-6-2-1-5-22(23)26-27-29)28(15-18-11-13-31-17-18)21-9-7-19(8-10-21)20-4-3-12-25-14-20/h1-14,17H,15-16H2","","2021-02-08","2021-08-06","2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide","2021-08-11"],["A1BXZ","N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide","C11 H12 N4 O S","O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1;O=C(NCc1scc(n1)C2CC2)c3cc[nH]n3;c1c[nH]nc1C(=O)NCc2nc(cs2)C3CC3","InChI=1S/C11H12N4OS/c16-11(8-3-4-13-15-8)12-5-10-14-9(6-17-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,16)(H,13,15)","","2025-02-24","2025-11-28","N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide","2025-12-03"],["L7V","1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one","C16 H18 N4 O2","O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1;O=C(Cc1cccnc1)N2CCC[CH]2c3noc(n3)C4CC4;c1cc(cnc1)CC(=O)N2CCCC2c3nc(on3)C4CC4","InChI=1S/C16H18N4O2/c21-14(9-11-3-1-7-17-10-11)20-8-2-4-13(20)15-18-16(22-19-15)12-5-6-12/h1,3,7,10,12-13H,2,4-6,8-9H2/t13-/m0/s1","","2023-08-15","2023-11-03","1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one","2023-11-08"],["L7W","(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide","C18 H18 F N3 O3","O=C(Nc1ccccn1)C1CCN(C1)C(=O)COc1ccccc1F;Fc1ccccc1OCC(=O)N2CC[CH](C2)C(=O)Nc3ccccn3;c1ccc(c(c1)OCC(=O)N2CCC(C2)C(=O)Nc3ccccn3)F","InChI=1S/C18H18FN3O3/c19-14-5-1-2-6-15(14)25-12-17(23)22-10-8-13(11-22)18(24)21-16-7-3-4-9-20-16/h1-7,9,13H,8,10-12H2,(H,20,21,24)/t13-/m0/s1","","2022-02-28","2022-04-22","(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide","2022-04-27"],["Y6E","1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile","C25 H23 F N4 O3 S","O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1;C[S](=O)(=O)N1CCN(CC1)C(=O)c2cnc3ccc(F)cc3c2c4ccc(cc4)C5(CC5)C#N;CS(=O)(=O)N1CCN(CC1)C(=O)c2cnc3ccc(cc3c2c4ccc(cc4)C5(CC5)C#N)F","InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3","","2023-06-12","2024-04-26","1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile","2024-05-01"],["Y6F","MMV009108","C21 H25 N3 O2 S2","CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Nc2ccc(C)c(C)c2)n1;CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Nc3ccc(C)c(C)c3)n2;CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Nc3ccc(c(c3)C)C","InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)","4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide","2023-11-21","2024-11-15","4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide","2024-11-20"],["L7X","[(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate","C9 H17 Br O7 P2","CC(C)=CCCC(Br)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)Br)C","InChI=1S/C9H17BrO7P2/c1-8(2)4-3-5-9(10)6-7-16-19(14,15)17-18(11,12)13/h4,6H,3,5,7H2,1-2H3,(H,14,15)(H2,11,12,13)/b9-6-","","2022-06-20","2023-05-26","[(2~{Z})-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate","2023-05-31"],["A1BYB","4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","C15 H11 Cl N2 O3","Clc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1;Oc1ccc(Cl)cc1CNc2cccc3C(=O)NC(=O)c23;c1cc2c(c(c1)NCc3cc(ccc3O)Cl)C(=O)NC2=O","InChI=1S/C15H11ClN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)","","2025-02-26","2025-06-13","4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","2025-06-18"],["A1BYC","4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","C15 H11 Br N2 O3","Brc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1;Oc1ccc(Br)cc1CNc2cccc3C(=O)NC(=O)c23;c1cc2c(c(c1)NCc3cc(ccc3O)Br)C(=O)NC2=O","InChI=1S/C15H11BrN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)","","2025-02-26","2025-06-13","4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","2025-06-18"],["Y6G","2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide","C22 H18 N6 O S","O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]cn5;c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5","InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24)","","2021-02-08","2021-08-06","2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide","2021-08-11"],["L7Y","5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one","C23 H22 Cl N3 O3","Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4)=O;Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(=O)N4CCOCC4;c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4","InChI=1S/C23H22ClN3O3/c24-20-6-4-16(5-7-20)18-12-19(22(28)26-14-18)15-25-21-3-1-2-17(13-21)23(29)27-8-10-30-11-9-27/h1-7,12-14,25H,8-11,15H2,(H,26,28)","","2019-02-11","2019-12-27","5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one","2020-01-01"],["L7Z","2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione","C14 H16 O2","Cc1ccc(CC2(C)C(=O)CCC2=O)cc1;Cc1ccc(cc1)CC2(C(=O)CCC2=O)C","InChI=1S/C14H16O2/c1-10-3-5-11(6-4-10)9-14(2)12(15)7-8-13(14)16/h3-6H,7-9H2,1-2H3","","2022-11-16","2023-06-02","2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione","2023-06-07"],["Y6H","4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid","C25 H33 N O5","CC1(C)COC(OC1)(c1ccc(CNc2ccc(cc2OC)C(=O)O)cc1)C(C)(C)C;COc1cc(ccc1NCc2ccc(cc2)C3(OCC(C)(C)CO3)C(C)(C)C)C(O)=O;CC1(COC(OC1)(c2ccc(cc2)CNc3ccc(cc3OC)C(=O)O)C(C)(C)C)C","InChI=1S/C25H33NO5/c1-23(2,3)25(30-15-24(4,5)16-31-25)19-10-7-17(8-11-19)14-26-20-12-9-18(22(27)28)13-21(20)29-6/h7-13,26H,14-16H2,1-6H3,(H,27,28)","","2023-01-06","2023-10-27","4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid","2023-11-01"],["A1BYF","5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide","C16 H21 N5 O S","O=C(NCc1nc(cs1)C1CC1)c1cc(CNCC2CC2)[NH]n1;O=C(NCc1scc(n1)C2CC2)c3cc(CNCC4CC4)[nH]n3;c1c([nH]nc1C(=O)NCc2nc(cs2)C3CC3)CNCC4CC4","InChI=1S/C16H21N5OS/c22-16(18-8-15-19-14(9-23-15)11-3-4-11)13-5-12(20-21-13)7-17-6-10-1-2-10/h5,9-11,17H,1-4,6-8H2,(H,18,22)(H,20,21)","","2025-02-26","2025-11-28","5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide","2025-12-03"],["L80","(3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol","C23 H23 Cl2 F3 N6 O2","OC1COCC1N1CC(F)C(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl;O[CH]1COC[CH]1N2CC[CH]([CH](F)C2)c3cc4nc(Nc5cnn([CH]6CC6(F)F)c5Cl)ncc4cc3Cl;c1c2cnc(nc2cc(c1Cl)C3CCN(CC3F)C4COCC4O)Nc5cnn(c5Cl)C6CC6(F)F","InChI=1S/C23H23Cl2F3N6O2/c24-14-3-11-6-29-22(32-17-7-30-34(21(17)25)20-5-23(20,27)28)31-16(11)4-13(14)12-1-2-33(8-15(12)26)18-9-36-10-19(18)35/h3-4,6-7,12,15,18-20,35H,1-2,5,8-10H2,(H,29,31,32)/t12-,15+,18+,19-,20+/m0/s1","","2022-02-28","2022-03-04","(3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol","2022-03-09"],["Y6I","[3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate","C22 H21 F4 N7 O4","FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[NH]nnc2C1;Fc1cc(COC(=O)N2CCn3nc(cc3CC2)C(=O)N4CCc5[nH]nnc5C4)ccc1OC(F)(F)F;c1cc(c(cc1COC(=O)N2CCc3cc(nn3CC2)C(=O)N4CCc5c(nn[nH]5)C4)F)OC(F)(F)F","InChI=1S/C22H21F4N7O4/c23-15-9-13(1-2-19(15)37-22(24,25)26)12-36-21(35)31-5-3-14-10-17(29-33(14)8-7-31)20(34)32-6-4-16-18(11-32)28-30-27-16/h1-2,9-10H,3-8,11-12H2,(H,27,28,30)","","2023-06-12","2024-12-13","[3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate","2024-12-18"],["L81","1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE","C19 H20 N2 O2","O=C(c1cc2c(cc1O)NCC2(C)C)N4Cc3ccccc3C4;CC1(C)CNc2cc(O)c(cc12)C(=O)N3Cc4ccccc4C3;CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C","InChI=1S/C19H20N2O2/c1-19(2)11-20-16-8-17(22)14(7-15(16)19)18(23)21-9-12-5-3-4-6-13(12)10-21/h3-8,20,22H,9-11H2,1-2H3","","2010-07-06","2011-06-04","5-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-ol",""],["Y6J","~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide","C23 H21 N5 O2 S","O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)C5CC5)cc4;c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5","InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30)","","2021-02-08","2021-08-06","~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide","2021-08-11"],["A1BYP","difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid","C10 H F19 O5","FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(=O)O)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F;OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31)","","2025-02-27","2025-05-16","difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid","2025-05-21"],["A1BYU","{2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid","C16 H22 N3 O4 P","O=P(O)(O)CCC1CCN(CC1)c1ncnc2c1cccc2OC;COc1cccc2c(ncnc12)N3CCC(CC3)CC[P](O)(O)=O;COc1cccc2c1ncnc2N3CCC(CC3)CCP(=O)(O)O","InChI=1S/C16H22N3O4P/c1-23-14-4-2-3-13-15(14)17-11-18-16(13)19-8-5-12(6-9-19)7-10-24(20,21)22/h2-4,11-12H,5-10H2,1H3,(H2,20,21,22)","","2025-03-03","2026-01-02","{2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid","2026-01-07"],["L82","(2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid","C25 H26 N6 O2 S","OC(=O)[CH](CCCN1C(=S)NN=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4;c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3ccccn3)Cc4ccccn4","InChI=1S/C25H26N6O2S/c32-24(33)22(13-8-16-31-23(28-29-25(31)34)19-9-2-1-3-10-19)30(17-20-11-4-6-14-26-20)18-21-12-5-7-15-27-21/h1-7,9-12,14-15,22H,8,13,16-18H2,(H,29,34)(H,32,33)/t22-/m0/s1","","2022-06-20","2022-12-09","(2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid","2022-12-14"],["Y6K","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate","C16 H22 O5","COC(=O)[C]12C[CH](C(=C)C1)C(=O)[CH](C2)C(=O)OC(C)(C)C;CC(C)(C)OC(=O)C1CC2(CC(C1=O)C(=C)C2)C(=O)OC","InChI=1S/C16H22O5/c1-9-6-16(14(19)20-5)7-10(9)12(17)11(8-16)13(18)21-15(2,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,16+/m1/s1","","2023-11-23","2024-11-22","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate","2024-11-27"],["Y6L","4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide","C26 H27 F N4 O4","O=C(NNC(=O)c1ccc(OC2CC2)c(OC)c1)c1cc(cc(n1)c1ccc(F)cc1)C(C)(C)N;COc1cc(ccc1OC2CC2)C(=O)NNC(=O)c3cc(cc(n3)c4ccc(F)cc4)C(C)(C)N;CC(C)(c1cc(nc(c1)C(=O)NNC(=O)c2ccc(c(c2)OC)OC3CC3)c4ccc(cc4)F)N","InChI=1S/C26H27FN4O4/c1-26(2,28)17-13-20(15-4-7-18(27)8-5-15)29-21(14-17)25(33)31-30-24(32)16-6-11-22(23(12-16)34-3)35-19-9-10-19/h4-8,11-14,19H,9-10,28H2,1-3H3,(H,30,32)(H,31,33)","","2023-01-06","2023-06-09","4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide","2023-06-14"],["A1BYV","(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine","C7 H6 N2 O S","Nc1nc(cs1)c1cocc1;Nc1scc(n1)c2cocc2;c1cocc1c2csc(n2)N","InChI=1S/C7H6N2OS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h1-4H,(H2,8,9)","","2025-03-03","2025-08-15","(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine","2025-08-20"],["L83","N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide","C14 H14 Cl N3 O","Nc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1;Cc1ccnc(N)c1NC(=O)Cc2cccc(Cl)c2;Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)N","InChI=1S/C14H14ClN3O/c1-9-5-6-17-14(16)13(9)18-12(19)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)","","2023-08-15","2023-11-03","N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide","2023-11-08"],["Y6M","(2R)-1,2,3,4-tetrahydroquinoline-2,7-diol","C9 H11 N O2","Oc1ccc2c(c1)NC(O)CC2;O[CH]1CCc2ccc(O)cc2N1;c1cc2c(cc1O)NC(CC2)O","InChI=1S/C9H11NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,9-12H,2,4H2","","2014-03-24","2014-03-28","(2R)-1,2,3,4-tetrahydroquinoline-2,7-diol","2014-04-02"],["A1BYY","4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile","C22 H16 Cl N7 O2 S","O=S(=O)(c1cccc2cc(CCC#N)ccc21)n1nc(Nc2ccc(C#N)c(Cl)c2)nc1N;Nc1nc(Nc2ccc(C#N)c(Cl)c2)nn1[S](=O)(=O)c3cccc4cc(CCC#N)ccc34;c1cc2cc(ccc2c(c1)S(=O)(=O)n3c(nc(n3)Nc4ccc(c(c4)Cl)C#N)N)CCC#N","InChI=1S/C22H16ClN7O2S/c23-19-12-17(8-7-16(19)13-25)27-22-28-21(26)30(29-22)33(31,32)20-5-1-4-15-11-14(3-2-10-24)6-9-18(15)20/h1,4-9,11-12H,2-3H2,(H3,26,27,28,29)","","2025-03-04","2025-05-02","4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile","2025-05-07"],["L84","(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide","C34 H37 F3 N2 O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F)(F)F)c4ccc(OCCCN5CCCCC5)cc4)c6ccc(O)cc6;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O","InChI=1S/C34H37F3N2O6S/c35-34(36,37)22-39(25-9-15-28(16-10-25)44-20-4-19-38-17-2-1-3-18-38)46(42,43)30-21-29-31(23-5-11-26(40)12-6-23)32(33(30)45-29)24-7-13-27(41)14-8-24/h5-16,29-30,33,40-41H,1-4,17-22H2/t29-,30+,33+/m0/s1","","2019-02-11","2021-09-03","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-08"],["L85","4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid","C12 H10 N2 O4 S","O=S(=O)(O)c2ccc(/N=N/c1ccc(O)cc1)cc2;Oc1ccc(cc1)N=Nc2ccc(cc2)[S](O)(=O)=O;c1cc(ccc1N=Nc2ccc(cc2)S(=O)(=O)O)O","InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+","","2011-01-10","2011-06-04","4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid",""],["Y6N","5-{[(6-cyclopropyl-2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C15 H16 N4 O2 S","O=C1NN=C(COc2cc3nc(C)sc3cc2C2CC2)N1C;CN1C(=O)NN=C1COc2cc3nc(C)sc3cc2C4CC4;Cc1nc2cc(c(cc2s1)C3CC3)OCC4=NNC(=O)N4C","InChI=1S/C15H16N4O2S/c1-8-16-11-6-12(10(9-3-4-9)5-13(11)22-8)21-7-14-17-18-15(20)19(14)2/h5-6,9H,3-4,7H2,1-2H3,(H,18,20)","","2023-06-12","2024-12-13","5-{[(6-cyclopropyl-2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["A1BYZ","Simvastatin","C25 H38 O5","CC(C)(CC)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12;CCC(C)(C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12;CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C","InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1","(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate","2025-03-05","2025-11-12","(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate","2025-10-08"],["A1BZA","3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide","C17 H10 Cl F3 N2 O2","Clc1cccc(c1)C(=O)Nc1cc(cc(c1)c1cnco1)C(F)(F)F;FC(F)(F)c1cc(NC(=O)c2cccc(Cl)c2)cc(c1)c3ocnc3;c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)C(F)(F)F)c3cnco3","InChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)","","2025-03-06","2025-04-18","3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide","2025-04-23"],["L86","(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI\nCOSINE-3,24-DIONE","C27 H33 Cl N6 O2","O=C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=O)C3)Cc4ccccc4;ClC1=CN=C2N[CH](CNCCCNCCc3ccccc3CNC(=O)CN1C2=O)Cc4ccccc4;c1ccc(cc1)CC2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl","InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1","COMPOUND 31","2003-01-21","2020-06-17","(11S)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24(4H)-dione",""],["Y6O","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid","C36 H54 O14","CC[CH]1CCC[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O;CCC1CCCC(C1OC2C(C(C(C(O2)C)O)O)O)OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)OC(=O)c5ccccc5","InChI=1S/C36H54O14/c1-3-21-15-10-16-23(30(21)50-35-29(41)28(40)26(38)19(2)45-35)47-36-32(49-34(44)22-13-8-5-9-14-22)31(27(39)25(18-37)48-36)46-24(33(42)43)17-20-11-6-4-7-12-20/h5,8-9,13-14,19-21,23-32,35-41H,3-4,6-7,10-12,15-18H2,1-2H3,(H,42,43)/t19-,21-,23+,24-,25+,26+,27-,28+,29-,30+,31-,32+,35-,36+/m0/s1","","2023-11-23","2024-10-18","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid","2024-10-23"],["A1BZB","3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide","C18 H17 Cl N2 O3 S","Clc1cccc(c1)S(=O)(=O)N(c1cccc(c1)c1cnco1)C(C)C;CC(C)N(c1cccc(c1)c2ocnc2)[S](=O)(=O)c3cccc(Cl)c3;CC(C)N(c1cccc(c1)c2cnco2)S(=O)(=O)c3cccc(c3)Cl","InChI=1S/C18H17ClN2O3S/c1-13(2)21(25(22,23)17-8-4-6-15(19)10-17)16-7-3-5-14(9-16)18-11-20-12-24-18/h3-13H,1-2H3","","2025-03-06","2025-04-18","3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide","2025-04-23"],["Y6P","7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","C13 H11 N3 O2","Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3;Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O","InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18)","","2021-02-08","2021-07-23","7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","2021-07-28"],["L87","8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione","C19 H21 N5 O2","O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c3ccccc3C)c4)CCCC;CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4ccccc4C;CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C","InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)","","2012-08-24","2013-01-18","8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione","2013-01-18"],["Y6R","(2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","C25 H24 F3 N5 O3","FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(C=CC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)c4ccc5[nH]nnc5c4)cc1;c1cc(ccc1C=CC(=O)N2CCC3CN(CC3CC2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F","InChI=1S/C25H24F3N5O3/c26-25(27,28)36-20-5-1-16(2-6-20)3-8-23(34)32-11-9-18-14-33(15-19(18)10-12-32)24(35)17-4-7-21-22(13-17)30-31-29-21/h1-8,13,18-19H,9-12,14-15H2,(H,29,30,31)","","2023-06-12","2024-12-13","(2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","2024-12-18"],["A1BZE","[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone","C18 H15 F3 N4 O3","FC(F)(F)c1cc(c2cnco2)c2ncc(C(=O)N3C4CCC3COC4)n2c1;FC(F)(F)c1cn2c(cnc2c(c1)c3ocnc3)C(=O)N4[CH]5CC[CH]4COC5;c1c(cn2c(cnc2c1c3cnco3)C(=O)N4C5CCC4COC5)C(F)(F)F","InChI=1S/C18H15F3N4O3/c19-18(20,21)10-3-13(15-5-22-9-28-15)16-23-4-14(24(16)6-10)17(26)25-11-1-2-12(25)8-27-7-11/h3-6,9,11-12H,1-2,7-8H2/t11-,12+","","2025-03-06","2025-06-27","[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone","2025-07-02"],["L88","(4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid","C58 H66 N4 O11 S2","O=C(O)CCC(NC(=O)CCc3ccc(c2scc(c1ccccc1)c2)cc3)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCc6ccc(c5scc(c4ccccc4)c5)cc6)CCC(=O)O;OC(=O)CC[CH](NC(=O)CCc1ccc(cc1)c2scc(c2)c3ccccc3)C(=O)NCCCOCCOCCOCCCNC(=O)[CH](CCC(O)=O)NC(=O)CCc4ccc(cc4)c5scc(c5)c6ccccc6;c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)NC(CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)C(CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6","InChI=1S/C58H66N4O11S2/c63-53(25-17-41-13-19-45(20-14-41)51-37-47(39-74-51)43-9-3-1-4-10-43)61-49(23-27-55(65)66)57(69)59-29-7-31-71-33-35-73-36-34-72-32-8-30-60-58(70)50(24-28-56(67)68)62-54(64)26-18-42-15-21-46(22-16-42)52-38-48(40-75-52)44-11-5-2-6-12-44/h1-6,9-16,19-22,37-40,49-50H,7-8,17-18,23-36H2,(H,59,69)(H,60,70)(H,61,63)(H,62,64)(H,65,66)(H,67,68)/t49-,50-/m1/s1","","2012-11-20","2013-04-19","(4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid (non-preferred name)","2013-04-24"],["Y6S","6-iodanyl-1~{H}-indole-2-carboxylic acid","C9 H6 I N O2","OC(=O)c1[nH]c2cc(I)ccc2c1;c1cc(cc2c1cc([nH]2)C(=O)O)I","InChI=1S/C9H6INO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)","","2021-02-08","2021-12-10","6-iodanyl-1~{H}-indole-2-carboxylic acid","2021-12-15"],["L89","pyridine-3,4-diamine","C5 H7 N3","Nc1ccncc1N;c1cncc(c1N)N","InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)","","2017-04-13","2017-07-07","pyridine-3,4-diamine","2017-07-12"],["Y6T","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid","C55 H73 N5 O25 S3","CC[CH]1C[CH](C[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)C(=O)NCCCc6cn(CCC(=O)Nc7cc(cc8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)nn6;CCC1CC(CC(C1OC2C(C(C(C(O2)C)O)O)O)OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)OC(=O)c5ccccc5)C(=O)NCCCc6cn(nn6)CCC(=O)Nc7cc(cc8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C55H73N5O25S3/c1-3-30-20-33(51(67)56-17-10-15-34-26-60(59-58-34)18-16-42(62)57-37-24-35(86(71,72)73)21-32-22-36(87(74,75)76)25-41(43(32)37)88(77,78)79)23-38(48(30)85-54-47(66)46(65)44(63)28(2)80-54)82-55-50(84-53(70)31-13-8-5-9-14-31)49(45(64)40(27-61)83-55)81-39(52(68)69)19-29-11-6-4-7-12-29/h5,8-9,13-14,21-22,24-26,28-30,33,38-40,44-50,54-55,61,63-66H,3-4,6-7,10-12,15-20,23,27H2,1-2H3,(H,56,67)(H,57,62)(H,68,69)(H,71,72,73)(H,74,75,76)(H,77,78,79)/t28-,30-,33+,38+,39-,40+,44+,45-,46+,47-,48+,49-,50+,54-,55+/m0/s1","","2023-11-23","2024-10-18","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid","2024-10-23"],["A1BZQ","N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide","C11 H18 N2 O S","Cc1nc(C)sc1C(C)NC(=O)C(C)C;CC(C)C(=O)N[CH](C)c1sc(C)nc1C;Cc1c(sc(n1)C)C(C)NC(=O)C(C)C","InChI=1S/C11H18N2OS/c1-6(2)11(14)13-8(4)10-7(3)12-9(5)15-10/h6,8H,1-5H3,(H,13,14)","","2025-03-11","2025-03-28","N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide","2025-04-02"],["L8A","1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one","C26 H26 F7 N3 O5 S","c1c(C(C(F)(F)F)(C(F)(F)F)O)ccc(c1)C3(CN(C(=O)N2CCN(C(=O)C)CC2)CC3)S(c4ccc(F)cc4)(=O)=O;CC(=O)N1CCN(CC1)C(=O)N2CC[C](C2)(c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4;CC(=O)N1CCN(CC1)C(=O)N2CCC(C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F","InChI=1S/C26H26F7N3O5S/c1-17(37)34-12-14-35(15-13-34)22(38)36-11-10-23(16-36,42(40,41)21-8-6-20(27)7-9-21)18-2-4-19(5-3-18)24(39,25(28,29)30)26(31,32)33/h2-9,39H,10-16H2,1H3/t23-/m0/s1","","2019-02-12","2019-03-08","1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one","2019-03-13"],["Y6U","N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid","C21 H23 N5 O6","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1)CCCn1ccc2N=C(N)NC(=O)c21;NC1=Nc2ccn(CCCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1;c1cc(ccc1CCCn2ccc3c2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H23N5O6/c22-21-24-14-9-11-26(17(14)19(30)25-21)10-1-2-12-3-5-13(6-4-12)18(29)23-15(20(31)32)7-8-16(27)28/h3-6,9,11,15H,1-2,7-8,10H2,(H,23,29)(H,27,28)(H,31,32)(H3,22,24,25,30)/t15-/m0/s1","","2023-01-09","2023-09-01","N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid","2023-09-06"],["L8B","(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE","C21 H22 N4 O5","O=C(N3C(C(=O)NCc2ccc(c1ocnc1)cc2)CC(O)C3)Cc4onc(c4)C;Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4ocnc4)on1;Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4cnco4)O","InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1","","2011-06-15","2014-09-05","(4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide",""],["A1BZU","5-[(2-{4-[({3-[(1,3-oxazol-5-yl)methyl]-5-(trifluoromethoxy)phenyl}methyl)amino]butoxy}ethyl)amino]benzo[c][2,6]naphthyridine-8-carboxamide","C31 H31 F3 N6 O4","NC(=O)c1ccc2c3cnccc3c(nc2c1)NCCOCCCCNCc1cc(cc(OC(F)(F)F)c1)Cc1cnco1;NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cc(Cc4ocnc4)cc(OC(F)(F)F)c3)c5ccncc25;c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)Cc5cnco5","InChI=1S/C31H31F3N6O4/c32-31(33,34)44-23-12-20(13-24-17-38-19-43-24)11-21(14-23)16-36-6-1-2-9-42-10-8-39-30-26-5-7-37-18-27(26)25-4-3-22(29(35)41)15-28(25)40-30/h3-5,7,11-12,14-15,17-19,36H,1-2,6,8-10,13,16H2,(H2,35,41)(H,39,40)","","2025-03-12","2026-01-09","5-[(2-{4-[({3-[(1,3-oxazol-5-yl)methyl]-5-(trifluoromethoxy)phenyl}methyl)amino]butoxy}ethyl)amino]benzo[c][2,6]naphthyridine-8-carboxamide","2026-01-14"],["Y6V","~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide","C17 H16 N2 O3 S","O=C1COc2cc(ccc2N1)C(=O)N(Cc3sccc3)C4CC4;c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4","InChI=1S/C17H16N2O3S/c20-16-10-22-15-8-11(3-6-14(15)18-16)17(21)19(12-4-5-12)9-13-2-1-7-23-13/h1-3,6-8,12H,4-5,9-10H2,(H,18,20)","","2021-02-08","2021-03-05","~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide","2021-03-10"],["L8C","N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C13 H19 N3 O2","ONC(=O)c1ccc(cc1)CN1CCN(C)CC1;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO","InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)","","2022-02-28","2022-04-01","N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2022-04-06"],["A1BZV","5-({3-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]propyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid","C33 H34 Cl N5 O2","O=C(O)c1cc2nc(NCCCNCCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1;OC(=O)c1ccc2c(c1)nc(NCCCNCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O","InChI=1S/C33H34ClN5O2/c34-30-19-23(9-11-26(30)24-7-2-1-3-8-24)21-36-15-5-4-14-35-16-6-17-38-32-28-13-18-37-22-29(28)27-12-10-25(33(40)41)20-31(27)39-32/h1-3,7-13,18-20,22,35-36H,4-6,14-17,21H2,(H,38,39)(H,40,41)","","2025-03-12","2026-01-09","5-({3-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]propyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid","2026-01-14"],["L8D","(5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide","C23 H24 N6 O3","c1c2c(cc(OC)n1)CCC(C(N2C)=O)NC(=O)c3nc5n(n3)C(c4ccccc4)CC5;COc1cc2CC[CH](NC(=O)c3nn4[CH](CCc4n3)c5ccccc5)C(=O)N(C)c2cn1;CN1c2cnc(cc2CCC(C1=O)NC(=O)c3nc4n(n3)C(CC4)c5ccccc5)OC","InChI=1S/C23H24N6O3/c1-28-18-13-24-20(32-2)12-15(18)8-9-16(23(28)31)25-22(30)21-26-19-11-10-17(29(19)27-21)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H,25,30)/t16-,17-/m0/s1","","2019-02-12","2019-05-24","(5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide","2019-05-29"],["Y6W","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-{3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]propyl}phosphonate","C18 H29 N2 O13 P","C1(OC(C(C(C1O)O)O)CO)CCCP(OCC3C(C(C(N2C(=O)NC(C=C2)=O)O3)O)O)(O)=O;OC[CH]1O[CH](CCC[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(CCCC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C18H29N2O13P/c21-6-9-13(24)15(26)12(23)8(32-9)2-1-5-34(29,30)31-7-10-14(25)16(27)17(33-10)20-4-3-11(22)19-18(20)28/h3-4,8-10,12-17,21,23-27H,1-2,5-7H2,(H,29,30)(H,19,22,28)/t8-,9-,10-,12+,13+,14-,15-,16-,17-/m1/s1","","2016-02-04","2016-03-04","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-{3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]propyl}phosphonate (non-preferred name)","2016-03-09"],["A1BZY","5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)-N-(methanesulfonyl)benzo[c][2,6]naphthyridine-8-carboxamide","C33 H35 Cl N6 O3 S","CS(=O)(=O)NC(=O)c1cc2nc(NCCNCCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1;C[S](=O)(=O)NC(=O)c1ccc2c(c1)nc(NCCNCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25;CS(=O)(=O)NC(=O)c1ccc2c(c1)nc(c3c2cncc3)NCCNCCCCNCc4ccc(c(c4)Cl)c5ccccc5","InChI=1S/C33H35ClN6O3S/c1-44(42,43)40-33(41)25-10-12-27-29-22-37-16-13-28(29)32(39-31(27)20-25)38-18-17-35-14-5-6-15-36-21-23-9-11-26(30(34)19-23)24-7-3-2-4-8-24/h2-4,7-13,16,19-20,22,35-36H,5-6,14-15,17-18,21H2,1H3,(H,38,39)(H,40,41)","","2025-03-12","2026-01-09","5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)-N-(methanesulfonyl)benzo[c][2,6]naphthyridine-8-carboxamide","2026-01-14"],["Y6X","(2R)-6-chloro-2-{[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile","C20 H18 Cl N5 O2","O=C(N1CCC21COC2)c1cnc(NC2Cc3cc(Cl)cc(C#N)c3C2)nc1;Clc1cc2C[CH](Cc2c(c1)C#N)Nc3ncc(cn3)C(=O)N4CCC45COC5;c1c(cc(c2c1CC(C2)Nc3ncc(cn3)C(=O)N4CCC45COC5)C#N)Cl","InChI=1S/C20H18ClN5O2/c21-15-3-12-5-16(6-17(12)13(4-15)7-22)25-19-23-8-14(9-24-19)18(27)26-2-1-20(26)10-28-11-20/h3-4,8-9,16H,1-2,5-6,10-11H2,(H,23,24,25)/t16-/m1/s1","","2023-06-12","2024-12-13","(2R)-6-chloro-2-{[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile","2024-12-18"],["L8F","N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide","C19 H26 N4 O2","CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21;CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cccc12;CC(=O)NCCc1c[nH]c2c1cccc2CN3CCN(CC3)C(=O)C","InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)","","2023-08-15","2024-09-27","N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide","2023-11-08"],["Y6Y","3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine","C27 H28 N4 O3 S2","Cc1cc(OCc2nnc(SC3CCCC3)n2c4cccnc4)ccc1c5ccc(cc5)[S](C)(=O)=O;Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5","InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3","","2021-02-08","2021-09-10","3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine","2021-09-15"],["A1BZZ","N~1~-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-N~4~-(2-{[(8P)-8-(1H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino}ethyl)butane-1,4-diamine","C32 H32 Cl N9","Clc1cc(ccc1c1ccccc1)CNCCCCNCCNc1nc2cc(ccc2c2cnccc21)c1nnn[NH]1;Clc1cc(CNCCCCNCCNc2nc3cc(ccc3c4cnccc24)c5[nH]nnn5)ccc1c6ccccc6;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)c6[nH]nnn6","InChI=1S/C32H32ClN9/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-14-5-4-13-34-16-17-37-32-27-12-15-36-21-28(27)26-11-9-24(19-30(26)38-32)31-39-41-42-40-31/h1-3,6-12,15,18-19,21,34-35H,4-5,13-14,16-17,20H2,(H,37,38)(H,39,40,41,42)","","2025-03-12","2026-01-09","N~1~-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-N~4~-(2-{[(8P)-8-(1H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino}ethyl)butane-1,4-diamine","2026-01-14"],["L8G","(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione","C23 H31 N5 O3 S2","O=C1NC(C(=O)NC(/C=C/CCS)CC(=O)NCc3nc(C2=NC1(C)CS2)ccc3)C(C)C;CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2)c3cccc(CNC(=O)C[CH](NC1=O)C=CCCS)n3;CC(C)C1C(=O)NC(CC(=O)NCc2cccc(n2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1","","2014-10-23","2015-04-03","(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione","2015-04-08"],["Y6Z","Antascomicine B","C37 H57 N O10","C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O;CC1CCC(OC(=O)C2CCCCN2C(=O)C(=O)C3(C(CCC(O3)C(C(=O)C=CCCC=C1)C)C)O)C(C)CC4CCC(C(C4O)O)O","InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1"," (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone","2023-11-23","2024-05-03","(1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone","2024-05-08"],["A1C02","(3R)-7-fluoro-3-{[(2R)-2-(3-fluoro-4-phosphonophenyl)-2-{[3-(methanesulfonyl)-2-oxoimidazolidine-1-carbonyl]amino}acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid","C22 H22 B F2 N4 O12 P S","CS(=O)(=O)N1CCN(C1=O)C(=O)NC(c1ccc(c(F)c1)P(=O)(O)O)C(=O)NC1Cc2ccc(F)c(c2OB1O)C(=O)O;C[S](=O)(=O)N1CCN(C(=O)N[CH](C(=O)N[CH]2Cc3ccc(F)c(C(O)=O)c3OB2O)c4ccc(c(F)c4)[P](O)(O)=O)C1=O;B1(C(Cc2ccc(c(c2O1)C(=O)O)F)NC(=O)C(c3ccc(c(c3)F)P(=O)(O)O)NC(=O)N4CCN(C4=O)S(=O)(=O)C)O","InChI=1S/C22H22BF2N4O12PS/c1-43(39,40)29-7-6-28(22(29)34)21(33)27-17(10-3-5-14(13(25)8-10)42(36,37)38)19(30)26-15-9-11-2-4-12(24)16(20(31)32)18(11)41-23(15)35/h2-5,8,15,17,35H,6-7,9H2,1H3,(H,26,30)(H,27,33)(H,31,32)(H2,36,37,38)/t15-,17+/m0/s1","","2025-11-13","2026-01-30","(3R)-7-fluoro-3-{[(2R)-2-(3-fluoro-4-phosphonophenyl)-2-{[3-(methanesulfonyl)-2-oxoimidazolidine-1-carbonyl]amino}acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid","2026-02-04"],["L8H","4-methoxynaphthalen-2-amine","C11 H11 N O","O(c2cc(cc1ccccc12)N)C;COc1cc(N)cc2ccccc12;COc1cc(cc2c1cccc2)N","InChI=1S/C11H11NO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,12H2,1H3","","2011-01-24","2011-06-04","4-methoxynaphthalen-2-amine",""],["Y70","S-Pomalidomide","C13 H11 N3 O4","O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N;Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12;c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1","","2013-12-05","2014-09-05","4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","2014-07-16"],["L8I","2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one","C23 H21 F N4 O","Fc1ccccc1c2ncc6c(c2)c5nc3c(C(=O)NCC34CN(C)C4)c5CC6;CN1CC2(CNC(=O)c3c4CCc5cnc(cc5c4[nH]c23)c6ccccc6F)C1;CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F","InChI=1S/C23H21FN4O/c1-28-11-23(12-28)10-26-22(29)19-15-7-6-13-9-25-18(14-4-2-3-5-17(14)24)8-16(13)20(15)27-21(19)23/h2-5,8-9,27H,6-7,10-12H2,1H3,(H,26,29)","","2010-03-10","2011-06-04","2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one",""],["A1C06","(2R)-3-[(1M)-5'-benzyl-2'-carbamoyl[1,1'-biphenyl]-3-yl]-2-methylpropanoic acid","C24 H23 N O3","O=C(N)c1ccc(cc1c1cccc(CC(C)C(=O)O)c1)Cc1ccccc1;C[CH](Cc1cccc(c1)c2cc(Cc3ccccc3)ccc2C(N)=O)C(O)=O;CC(Cc1cccc(c1)c2cc(ccc2C(=O)N)Cc3ccccc3)C(=O)O","InChI=1S/C24H23NO3/c1-16(24(27)28)12-18-8-5-9-20(14-18)22-15-19(10-11-21(22)23(25)26)13-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H2,25,26)(H,27,28)/t16-/m1/s1","","2025-11-14","2026-04-17","(2R)-3-[(1M)-5'-benzyl-2'-carbamoyl[1,1'-biphenyl]-3-yl]-2-methylpropanoic acid","2026-04-22"],["Y71","(1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H35 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CC2C=C3","InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21-/m0/s1","","2021-02-08","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L8J","[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","C10 H8 Br2 N O4 P","c1(cc(Br)c2c(c1)NC(C=C2CP(O)(O)=O)=O)Br;O[P](O)(=O)CC1=CC(=O)Nc2cc(Br)cc(Br)c12;c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br","InChI=1S/C10H8Br2NO4P/c11-6-2-7(12)10-5(4-18(15,16)17)1-9(14)13-8(10)3-6/h1-3H,4H2,(H,13,14)(H2,15,16,17)","","2019-02-12","2019-09-20","[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","2019-09-25"],["A1C09","methyl 4-{[(2E)-2-{[(2S)-3-amino-2-{1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}propanoyl]imino}acetyl]amino}butanoate","C27 H36 N4 O4","CC(c1cccc2ccccc21)N1CCC(CC1)C(CN)C(=O)/N=C/C(=O)NCCCC(=O)OC;COC(=O)CCCNC(=O)C=NC(=O)[CH](CN)C1CCN(CC1)[CH](C)c2cccc3ccccc23;CC(c1cccc2c1cccc2)N3CCC(CC3)C(CN)C(=O)N=CC(=O)NCCCC(=O)OC","InChI=1S/C27H36N4O4/c1-19(22-10-5-8-20-7-3-4-9-23(20)22)31-15-12-21(13-16-31)24(17-28)27(34)30-18-25(32)29-14-6-11-26(33)35-2/h3-5,7-10,18-19,21,24H,6,11-17,28H2,1-2H3,(H,29,32)/b30-18+/t19-,24-/m1/s1","methyl (2E)-4-{[(2E)-2-{[(2S)-3-amino-2-{1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}propanoyl]imino}acetyl]amino}but-2-enoate bound form","2025-11-18","2026-01-23","methyl 4-{[(2E)-2-{[(2S)-3-amino-2-{1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}propanoyl]imino}acetyl]amino}butanoate","2026-01-28"],["A1C0I","4-{2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}benzamide","C18 H20 N4 O","NC(=O)c1ccc(cc1)c1nc(nc2CCCc21)N1CCC1C;C[CH]1CCN1c2nc3CCCc3c(n2)c4ccc(cc4)C(N)=O;CC1CCN1c2nc3c(c(n2)c4ccc(cc4)C(=O)N)CCC3","InChI=1S/C18H20N4O/c1-11-9-10-22(11)18-20-15-4-2-3-14(15)16(21-18)12-5-7-13(8-6-12)17(19)23/h5-8,11H,2-4,9-10H2,1H3,(H2,19,23)/t11-/m0/s1","","2025-11-10","2026-01-02","4-{2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}benzamide","2026-01-07"],["L8K","3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one","C19 H24 N2 O S2","CC(C)(C)C(=O)CSc1nc2c(CCc3csc(CCC)c23)cn1;CCCc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12;CCCc1c-2c(cs1)CCc3c2nc(nc3)SCC(=O)C(C)(C)C","InChI=1S/C19H24N2OS2/c1-5-6-14-16-13(10-23-14)8-7-12-9-20-18(21-17(12)16)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3","","2022-03-01","2022-09-30","3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one","2022-10-05"],["Y72","N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid","C20 H22 F N5 O6 S","O=C(O)C(CCC(=O)O)NC(=O)c1scc(CCCCn2ccc3N=C(N)NC(=O)c32)c1F;NC1=Nc2ccn(CCCCc3csc(C(=O)N[CH](CCC(O)=O)C(O)=O)c3F)c2C(=O)N1;c1cn(c2c1N=C(NC2=O)N)CCCCc3csc(c3F)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22FN5O6S/c21-14-10(9-33-16(14)18(30)23-12(19(31)32)4-5-13(27)28)3-1-2-7-26-8-6-11-15(26)17(29)25-20(22)24-11/h6,8-9,12H,1-5,7H2,(H,23,30)(H,27,28)(H,31,32)(H3,22,24,25,29)/t12-/m0/s1","","2023-01-09","2023-09-01","N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid","2023-09-06"],["A1C0J","(2S,3R)-1-{4-[4-(3-aminooxetan-3-yl)phenyl]-7,7-difluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl}-2-methylazetidin-3-ol","C20 H22 F2 N4 O2","NC1(COC1)c1ccc(cc1)c1nc(nc2c1CCC2(F)F)N1CC(O)C1C;C[CH]1[CH](O)CN1c2nc(c3ccc(cc3)C4(N)COC4)c5CCC(F)(F)c5n2;CC1C(CN1c2nc(c3c(n2)C(CC3)(F)F)c4ccc(cc4)C5(COC5)N)O","InChI=1S/C20H22F2N4O2/c1-11-15(27)8-26(11)18-24-16(14-6-7-20(21,22)17(14)25-18)12-2-4-13(5-3-12)19(23)9-28-10-19/h2-5,11,15,27H,6-10,23H2,1H3/t11-,15+/m0/s1","","2025-11-10","2026-01-02","(2S,3R)-1-{4-[4-(3-aminooxetan-3-yl)phenyl]-7,7-difluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl}-2-methylazetidin-3-ol","2026-01-07"],["Y73","N-[(2R,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide","C42 H81 N O3","O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCC/C=CCCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O","InChI=1S/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17?,37-35+/t40-,41-/m1/s1","","2023-06-12","2024-08-02","(15Z)-N-[(2R,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide","2024-08-07"],["L8L","~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide","C31 H38 N4 O4 S2","CCCN1C=C(c2ccc3n(CC4CCNCC4)cc(C)c3c2)c5sc(cc5C1=O)C(=O)NC6CC[S](=O)(=O)CC6;CCCN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc5c(c4)c(cn5CC6CCNCC6)C","InChI=1S/C31H38N4O4S2/c1-3-12-34-19-26(22-4-5-27-24(15-22)20(2)17-35(27)18-21-6-10-32-11-7-21)29-25(31(34)37)16-28(40-29)30(36)33-23-8-13-41(38,39)14-9-23/h4-5,15-17,19,21,23,32H,3,6-14,18H2,1-2H3,(H,33,36)","","2022-06-21","2022-08-22","~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide","2022-08-10"],["A1C0K","(3M)-3-{2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}benzene-1-sulfonamide","C17 H20 N4 O2 S","NS(=O)(=O)c1cccc(c1)c1nc(nc2CCCc21)N1CCC1C;C[CH]1CCN1c2nc3CCCc3c(n2)c4cccc(c4)[S](N)(=O)=O;CC1CCN1c2nc3c(c(n2)c4cccc(c4)S(=O)(=O)N)CCC3","InChI=1S/C17H20N4O2S/c1-11-8-9-21(11)17-19-15-7-3-6-14(15)16(20-17)12-4-2-5-13(10-12)24(18,22)23/h2,4-5,10-11H,3,6-9H2,1H3,(H2,18,22,23)/t11-/m0/s1","","2025-11-10","2026-01-02","(3M)-3-{2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}benzene-1-sulfonamide","2026-01-07"],["L8M","N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine","C20 H26 F N7","c34c(c(Nc1cc(C(C)(C)C)nn1)nc(N2C(C)CNCC2)n3)cccc4F;C[CH]1CNCCN1c2nc(Nc3cc([nH]n3)C(C)(C)C)c4cccc(F)c4n2;CC1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C","InChI=1S/C20H26FN7/c1-12-11-22-8-9-28(12)19-24-17-13(6-5-7-14(17)21)18(25-19)23-16-10-15(26-27-16)20(2,3)4/h5-7,10,12,22H,8-9,11H2,1-4H3,(H2,23,24,25,26,27)/t12-/m1/s1","","2019-02-12","2019-03-22","N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine","2019-03-27"],["Y74","2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid","C34 H39 Cl N2 O10","COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CC(O)=O)OC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl;CC(C1CC=CC(=O)NC(C(=O)NCC(C(=O)OC(C(=O)O1)CC(=O)O)(C)C)Cc2ccc(c(c2)Cl)OC)C3C(O3)c4ccccc4","InChI=1S/C34H39ClN2O10/c1-19(29-30(47-29)21-9-6-5-7-10-21)24-11-8-12-27(38)37-23(16-20-13-14-25(44-4)22(35)15-20)31(41)36-18-34(2,3)33(43)46-26(17-28(39)40)32(42)45-24/h5-10,12-15,19,23-24,26,29-30H,11,16-18H2,1-4H3,(H,36,41)(H,37,38)(H,39,40)/t19-,23+,24?,26+,29-,30?/m1/s1","","2023-11-23","2024-05-17","2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid","2024-05-22"],["L8N","phenyl-(4-sulfamoylphenoxy)phosphinic acid","C12 H12 N O5 P S","N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1;c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)","","2019-07-29","2020-06-05","phenyl-(4-sulfamoylphenoxy)phosphinic acid","2020-06-10"],["A1C14","(4P)-4-[4-(benzylamino)-2-oxo-1,2-dihydroquinolin-6-yl]-3,5-dimethyl-2H-1,2-oxazol-1-ium","C21 H20 N3 O2","Cc1[NH][o+]c(C)c1c1cc2c(cc1)NC(=O)C=C2NCc1ccccc1;Cc1[nH][o+]c(C)c1c2ccc3NC(=O)C=C(NCc4ccccc4)c3c2;Cc1c(c([o+][nH]1)C)c2ccc3c(c2)C(=CC(=O)N3)NCc4ccccc4","InChI=1S/C21H19N3O2/c1-13-21(14(2)26-24-13)16-8-9-18-17(10-16)19(11-20(25)23-18)22-12-15-6-4-3-5-7-15/h3-11,24H,12H2,1-2H3,(H-,22,23,25)/p+1","","2025-12-03","2026-03-20","(4P)-4-[4-(benzylamino)-2-oxo-1,2-dihydroquinolin-6-yl]-3,5-dimethyl-2H-1,2-oxazol-1-ium","2026-03-25"],["Y75","(7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione","C41 H49 Cl N10 O3 S","Nc1ccc(cn1)c1ccc(Cl)c2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12;CN1[CH](Cc2c[nH]c3ccccc23)C(=O)NCc4c(Sc5ncccc5CN[CH](CCCN)C(=O)N[CH](CCCCN)C1=O)c(Cl)ccc4c6ccc(N)nc6;CN1C(C(=O)NCc2c(ccc(c2Sc3c(cccn3)CNC(C(=O)NC(C1=O)CCCCN)CCCN)Cl)c4ccc(nc4)N)Cc5c[nH]c6c5cccc6","InChI=1S/C41H49ClN10O3S/c1-52-35(20-27-23-47-32-10-3-2-9-29(27)32)39(54)50-24-30-28(25-13-16-36(45)49-21-25)14-15-31(42)37(30)56-40-26(8-7-19-46-40)22-48-33(12-6-18-44)38(53)51-34(41(52)55)11-4-5-17-43/h2-3,7-10,13-16,19,21,23,33-35,47-48H,4-6,11-12,17-18,20,22,24,43-44H2,1H3,(H2,45,49)(H,50,54)(H,51,53)/t33-,34-,35-/m0/s1","","2023-01-09","2023-12-29","(7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione","2024-01-03"],["L8O","1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one","C18 H19 N O","Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O;CC(=O)N1C[CH](c2cccc(C)c2)c3ccccc3C1;Cc1cccc(c1)C2CN(Cc3c2cccc3)C(=O)C","InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1","","2023-08-15","2024-09-27","1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one","2023-11-08"],["A1C15","methyl 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazole-6-carboxylate","C15 H10 N4 O2 S","O=C(OC)c1ccc2nc(sc2c1)c1cnn2cccnc21;COC(=O)c1ccc2nc(sc2c1)c3cnn4cccnc34;COC(=O)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4","InChI=1S/C15H10N4O2S/c1-21-15(20)9-3-4-11-12(7-9)22-14(18-11)10-8-17-19-6-2-5-16-13(10)19/h2-8H,1H3","","2025-12-03","2026-04-17","methyl 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazole-6-carboxylate","2026-04-22"],["Y76","2-chloro-7-[(4-fluorophenyl)methyl]-9-methyl-7,9-dihydro-8H-purin-8-one","C13 H10 Cl F N4 O","Fc1ccc(cc1)CN1c2cnc(Cl)nc2N(C)C1=O;CN1C(=O)N(Cc2ccc(F)cc2)c3cnc(Cl)nc13;CN1c2c(cnc(n2)Cl)N(C1=O)Cc3ccc(cc3)F","InChI=1S/C13H10ClFN4O/c1-18-11-10(6-16-12(14)17-11)19(13(18)20)7-8-2-4-9(15)5-3-8/h2-6H,7H2,1H3","","2023-06-12","2024-12-13","2-chloro-7-[(4-fluorophenyl)methyl]-9-methyl-7,9-dihydro-8H-purin-8-one","2024-12-18"],["Y77","[(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate","C6 H13 N3 O4 P","CC(CCN=[N]=N)=CCO[P](O)(O)=O;CC(=CCOP(=O)(O)O)CCN=[N]=N","InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3-","","2021-02-09","2021-12-17","[(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate","2021-12-22"],["L8P","({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid","C8 H14 N3 O6 P","O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO;NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1;C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O","InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1","Cidofovir","2011-02-01","2020-06-17","({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid",""],["A1C1A","methyl 4-{[(2E)-2-{[(2S)-3-amino-2-(1-{(1R)-1-[7-(propan-2-yl)naphthalen-1-yl]ethyl}piperidin-4-yl)propanoyl]imino}acetyl]amino}butanoate","C30 H42 N4 O4","CC(c1cccc2ccc(cc21)C(C)C)N1CCC(CC1)C(CN)C(=O)/N=C/C(=O)NCCCC(=O)OC;COC(=O)CCCNC(=O)C=NC(=O)[CH](CN)C1CCN(CC1)[CH](C)c2cccc3ccc(cc23)C(C)C;CC(C)c1ccc2cccc(c2c1)C(C)N3CCC(CC3)C(CN)C(=O)N=CC(=O)NCCCC(=O)OC","InChI=1S/C30H42N4O4/c1-20(2)24-11-10-22-7-5-8-25(26(22)17-24)21(3)34-15-12-23(13-16-34)27(18-31)30(37)33-19-28(35)32-14-6-9-29(36)38-4/h5,7-8,10-11,17,19-21,23,27H,6,9,12-16,18,31H2,1-4H3,(H,32,35)/b33-19+/t21-,27-/m1/s1","methyl (2E)-4-{[(2E)-2-{[(2S)-3-amino-2-(1-{(1R)-1-[7-(propan-2-yl)naphthalen-1-yl]ethyl}piperidin-4-yl)propanoyl]imino}acetyl]amino}but-2-enoate bound form","2025-11-18","2026-01-23","methyl 4-{[(2E)-2-{[(2S)-3-amino-2-(1-{(1R)-1-[7-(propan-2-yl)naphthalen-1-yl]ethyl}piperidin-4-yl)propanoyl]imino}acetyl]amino}butanoate","2026-01-28"],["A1C1V","[(1R)-1-chloroethyl]benzene","C8 H9 Cl","CC(Cl)c1ccccc1;C[CH](Cl)c1ccccc1;CC(c1ccccc1)Cl","InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1","","2025-11-24","2025-11-28","[(1R)-1-chloroethyl]benzene","2025-12-03"],["L8Q","2-methoxy-5-nitro-phenol","C7 H7 N O4","COc1ccc(cc1O)[N+]([O-])=O;COc1ccc(cc1O)[N+](=O)[O-]","InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3","","2019-07-29","2020-08-21","2-methoxy-5-nitro-phenol","2020-08-26"],["Y78","6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine","C17 H18 N4 O","Cc1oc(CNc2nc(nnc2C)c3ccc(C)cc3)cc1;Cc1ccc(cc1)c2nc(c(nn2)C)NCc3ccc(o3)C","InChI=1S/C17H18N4O/c1-11-4-7-14(8-5-11)17-19-16(13(3)20-21-17)18-10-15-9-6-12(2)22-15/h4-9H,10H2,1-3H3,(H,18,19,21)","","2023-11-23","2024-10-25","6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine","2024-10-30"],["A1C20","N-{(1r,4r)-4-[2-(4-chlorophenoxy)acetamido]cyclohexyl}-N-[2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide","C27 H33 Cl N4 O3","Clc1ccc(cc1)OCC(=O)NC1CCC(CC1)N(CCc1c[NH]c2nccc(C)c21)C(=O)CC;CCC(=O)N(CCc1c[nH]c2nccc(C)c12)[CH]3CC[CH](CC3)NC(=O)COc4ccc(Cl)cc4;CCC(=O)N(CCc1c[nH]c2c1c(ccn2)C)C3CCC(CC3)NC(=O)COc4ccc(cc4)Cl","InChI=1S/C27H33ClN4O3/c1-3-25(34)32(15-13-19-16-30-27-26(19)18(2)12-14-29-27)22-8-6-21(7-9-22)31-24(33)17-35-23-10-4-20(28)5-11-23/h4-5,10-12,14,16,21-22H,3,6-9,13,15,17H2,1-2H3,(H,29,30)(H,31,33)/t21-,22-","N-{(1r,4r)-4-[2-(4-chlorophenoxy)acetamido]cyclohexyl}-N-[2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]prop-2-enamide bound form","2025-12-09","2026-02-20","N-{(1r,4r)-4-[2-(4-chlorophenoxy)acetamido]cyclohexyl}-N-[2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide","2026-02-25"],["L8R","3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one","C19 H24 N2 O S2","CC(C)(C)C(=O)CSc1ncc2CCc3scc(CCC)c3c2n1;CCCc1csc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12;CCCc1csc2c1-c3c(cnc(n3)SCC(=O)C(C)(C)C)CC2","InChI=1S/C19H24N2OS2/c1-5-6-13-10-23-14-8-7-12-9-20-18(21-17(12)16(13)14)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3","","2022-03-01","2022-09-30","3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one","2022-10-05"],["Y79","N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid","C22 H24 F N5 O6","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21;NC1=Nc2ccn(CCCCc3ccc(c(F)c3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1;c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C22H24FN5O6/c23-14-11-12(4-5-13(14)19(31)25-16(21(33)34)6-7-17(29)30)3-1-2-9-28-10-8-15-18(28)20(32)27-22(24)26-15/h4-5,8,10-11,16H,1-3,6-7,9H2,(H,25,31)(H,29,30)(H,33,34)(H3,24,26,27,32)/t16-/m0/s1","","2023-01-09","2023-09-01","N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid","2023-09-06"],["A1C21","4-oxo-4-[(2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}ethyl)amino]butanoic acid","C22 H38 N6 O10","O=C(O)CCC(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CCN(CC1)CC(=O)O)CC(=O)O;OC(=O)CCC(=O)NCCNC(=O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O;C1CN(CCN(CCN(CCN1CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/C22H38N6O10/c29-17(1-2-19(31)32)23-3-4-24-18(30)13-25-5-7-26(14-20(33)34)9-11-28(16-22(37)38)12-10-27(8-6-25)15-21(35)36/h1-16H2,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)","","2025-12-09","2026-01-09","4-oxo-4-[(2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}ethyl)amino]butanoic acid","2026-01-14"],["Y7A","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone","C27 H33 N7 O4","O=C(c1ccc2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)N(C)C;CN(C)c1cc(cc(OCC2CCOCC2)n1)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc6[nH]nnc6c5;CN(C)c1cc(cc(n1)OCC2CCOCC2)C(=O)N3CC4CN(CC4C3)C(=O)c5ccc6c(c5)nn[nH]6","InChI=1S/C27H33N7O4/c1-32(2)24-10-19(11-25(28-24)38-16-17-5-7-37-8-6-17)27(36)34-14-20-12-33(13-21(20)15-34)26(35)18-3-4-22-23(9-18)30-31-29-22/h3-4,9-11,17,20-21H,5-8,12-16H2,1-2H3,(H,29,30,31)","","2023-06-12","2024-12-13","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone","2024-12-18"],["L8S","9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione","C10 H15 N4 O14 P3 S","N2C(Nc1n(cnc1C2=O)C3C(O)C(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)O3)=O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O","InChI=1S/C10H15N4O14P3S/c15-5-3(1-25-29(19,20)27-30(21,22)28-31(23,24)32)26-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H2,12,13,17,18)/t3-,5-,6+,9+/m0/s1","","2019-02-14","2019-11-01","9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione","2019-11-06"],["A1C2O","(5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione","C14 H13 Cl2 N O3 S","O=C1SC(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1CCCC;CCCCN1C(=O)SC(=Cc2cc(Cl)c(O)c(Cl)c2)C1=O;CCCCN1C(=O)C(=Cc2cc(c(c(c2)Cl)O)Cl)SC1=O","InChI=1S/C14H13Cl2NO3S/c1-2-3-4-17-13(19)11(21-14(17)20)7-8-5-9(15)12(18)10(16)6-8/h5-7,18H,2-4H2,1H3","","2025-12-08","2026-04-24","(5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione","2026-04-29"],["Y7B","2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide","C24 H26 N4 O3","CC(=O)N1CCc2[nH]c3ccc(cc3c2C1)C(=O)Nc4ccc(cc4)N5CCOCC5;CC(=O)N1CCc2c(c3cc(ccc3[nH]2)C(=O)Nc4ccc(cc4)N5CCOCC5)C1","InChI=1S/C24H26N4O3/c1-16(29)28-9-8-23-21(15-28)20-14-17(2-7-22(20)26-23)24(30)25-18-3-5-19(6-4-18)27-10-12-31-13-11-27/h2-7,14,26H,8-13,15H2,1H3,(H,25,30)","","2023-11-23","2024-10-25","2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide","2024-10-30"],["L8T","2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C18 H21 N O5 S","O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC;CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O)=O;CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC3)C(=O)O)CCCC2","InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22)","","2023-05-05","2023-06-09","2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["L8U","2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone","C8 H6 Br2 O2","Oc1cc(Br)ccc1C(=O)CBr;c1cc(c(cc1Br)O)C(=O)CBr","InChI=1S/C8H6Br2O2/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,11H,4H2","","2022-11-16","2023-06-02","2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone","2023-06-07"],["Y7C","3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide","C11 H12 Cl N5 O","CCCn1nnnc1NC(=O)c1cccc(Cl)c1;CCCn1nnnc1NC(=O)c2cccc(Cl)c2;CCCn1c(nnn1)NC(=O)c2cccc(c2)Cl","InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18)","","2023-01-09","2023-09-15","3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide","2023-09-20"],["A1C2U","1H-1,3-benzimidazole-5-carbaldehyde","C8 H6 N2 O","O=Cc1cc2nc[NH]c2cc1;O=Cc1ccc2[nH]cnc2c1;c1cc2c(cc1C=O)nc[nH]2","InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)","","2025-12-08","2025-12-19","1H-1,3-benzimidazole-5-carbaldehyde","2025-12-24"],["L8V","2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide","C23 H16 F3 N5 O2","Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F)cc2F)ccn1;c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F","InChI=1S/C23H16F3N5O2/c24-13-3-5-19(17(25)10-13)31-23(32)16-2-1-8-29-22(16)30-14-4-6-20(18(26)11-14)33-15-7-9-28-21(27)12-15/h1-12H,(H2,27,28)(H,29,30)(H,31,32)","","2010-01-12","2011-06-04","2-[[4-(2-azanylpyridin-4-yl)oxy-3-fluoro-phenyl]amino]-N-(2,4-difluorophenyl)pyridine-3-carboxamide",""],["Y7D","(2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate","C8 H18 O7 P2","O=P(O)(O)OP(O)(=O)OCC=C(C)CCCC;CCCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6-","","2021-02-09","2021-12-17","(2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate","2021-12-22"],["A1C2Z","N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]propanamide","C26 H31 N3 O5","O=C(NC1(CCOCC1)c1cccc(NC(=O)C(=O)N2CC(COc3ccccc3)C2)c1)CC;CCC(=O)NC1(CCOCC1)c2cccc(NC(=O)C(=O)N3CC(COc4ccccc4)C3)c2;CCC(=O)NC1(CCOCC1)c2cccc(c2)NC(=O)C(=O)N3CC(C3)COc4ccccc4","InChI=1S/C26H31N3O5/c1-2-23(30)28-26(11-13-33-14-12-26)20-7-6-8-21(15-20)27-24(31)25(32)29-16-19(17-29)18-34-22-9-4-3-5-10-22/h3-10,15,19H,2,11-14,16-18H2,1H3,(H,27,31)(H,28,30)","N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]prop-2-enamide bound form","2025-12-09","2026-02-20","N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]propanamide","2026-02-25"],["A1C32","1,4:3,6-dianhydro-2,5-bis[2-(4-chlorophenoxy)acetamido]-2,5-dideoxy-D-glucitol","C22 H22 Cl2 N2 O6","Clc1ccc(cc1)OCC(=O)NC1COC2C1OCC2NC(=O)COc1ccc(Cl)cc1;Clc1ccc(OCC(=O)N[CH]2CO[CH]3[CH](CO[CH]23)NC(=O)COc4ccc(Cl)cc4)cc1;c1cc(ccc1OCC(=O)NC2COC3C2OCC3NC(=O)COc4ccc(cc4)Cl)Cl","InChI=1S/C22H22Cl2N2O6/c23-13-1-5-15(6-2-13)29-11-19(27)25-17-9-31-22-18(10-32-21(17)22)26-20(28)12-30-16-7-3-14(24)4-8-16/h1-8,17-18,21-22H,9-12H2,(H,25,27)(H,26,28)/t17-,18+,21-,22-/m1/s1","","2026-01-05","2026-02-27","1,4:3,6-dianhydro-2,5-bis[2-(4-chlorophenoxy)acetamido]-2,5-dideoxy-D-glucitol","2026-03-04"],["Y7E","(3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide","C26 H29 N7 O6","O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NC(CC(=O)NC)c3ccc(cc3)[N+]([O-])=O)C=Nc2cc1;CNC(=O)C[CH](NC(=O)CN1C=Nc2ccc(cc2C1=O)N3CCN(CC3)C(C)=O)c4ccc(cc4)[N+]([O-])=O;CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3)CC(=O)NC(CC(=O)NC)c4ccc(cc4)[N+](=O)[O-]","InChI=1S/C26H29N7O6/c1-17(34)30-9-11-31(12-10-30)20-7-8-22-21(13-20)26(37)32(16-28-22)15-25(36)29-23(14-24(35)27-2)18-3-5-19(6-4-18)33(38)39/h3-8,13,16,23H,9-12,14-15H2,1-2H3,(H,27,35)(H,29,36)","","2023-06-12","2024-12-13","(3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide","2024-12-18"],["L8W"," (+)-JD1","C29 H17 Cl Fe N5 O S","[Fe].Cc1sc2n3c(C)nnc3[CH](CC(=O)NC4C=CC=C4)N=C(c5ccc(Cl)cc5)c2c1C.C6C=CC=C6;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C","InChI=1S/C24H17ClN5OS.C5H.Fe/c1-13-14(2)32-24-21(13)22(16-8-10-17(25)11-9-16)27-19(23-29-28-15(3)30(23)24)12-20(31)26-18-6-4-5-7-18;1-2-4-5-3-1;/h8-11,19H,12H2,1-3H3,(H,26,31);1H;/t19-;;/m0../s1","","2019-07-30","2019-08-09","","2019-08-14"],["L8X","methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","C23 H21 Cl N2 O5","O=C(OC)c1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C(=O)OC)N1C(=O)CCl;COC(=O)[CH]1Cc2c([nH]c3ccccc23)[CH](N1C(=O)CCl)c4ccc(cc4)C(=O)OC;COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2C(=O)CCl)C(=O)OC","InChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m1/s1","","2022-03-01","2024-09-27","methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","2022-12-07"],["Y7F","2-methyl-~{N}-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]pyrazole-3-carboxamide","C16 H13 N5 O2 S2","Cn1nccc1C(=O)NCc2sc(cc2)c3onc(n3)c4sccc4;Cn1c(ccn1)C(=O)NCc2ccc(s2)c3nc(no3)c4cccs4","InChI=1S/C16H13N5O2S2/c1-21-11(6-7-18-21)15(22)17-9-10-4-5-13(25-10)16-19-14(20-23-16)12-3-2-8-24-12/h2-8H,9H2,1H3,(H,17,22)","","2023-11-23","2024-10-25","2-methyl-~{N}-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]pyrazole-3-carboxamide","2024-10-30"],["A1C3H","(2R)-3-{[(S)-[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate","C42 H79 O10 P","O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCC/C=CCCCCCCCC)CCCCCCC/C=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40-/m1/s1","","2025-12-15","2026-01-30","(2R)-3-{[(S)-[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate","2026-02-04"],["A1C3Q","naphtho[1,2-d][1,3]thiazol-2-amine","C11 H8 N2 S","Nc1nc2c(ccc3ccccc32)s1;Nc1sc2ccc3ccccc3c2n1;c1ccc2c(c1)ccc3c2nc(s3)N","InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)","","2025-12-17","2026-01-09","naphtho[1,2-d][1,3]thiazol-2-amine","2026-01-14"],["Y7G","(1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H37 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC[CH]1C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCC2C3","InChI=1S/C22H37N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h12-18,21,28H,3-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21-/m0/s1","","2021-02-09","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L8Y","4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide","C19 H17 F N6 O2","c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(=O)N)C(NC)=O)F;CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O;CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F","InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)","","2019-02-14","2019-07-19","4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide","2019-07-24"],["A1C3U","5-methylnaphtho[1,2-d][1,3]thiazol-2-amine","C12 H10 N2 S","Cc1cc2sc(N)nc2c2ccccc12;Cc1cc2sc(N)nc2c3ccccc13;Cc1cc2c(c3c1cccc3)nc(s2)N","InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)","","2025-12-22","2026-01-09","5-methylnaphtho[1,2-d][1,3]thiazol-2-amine","2026-01-14"],["Y7H","5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one","C18 H22 N4 O","O=C1c2cccc3[NH]nc(CCN1C1CC4CCN(CC4)C1)c23;O=C1N(CCc2n[nH]c3cccc1c23)[CH]4CC5CCN(CC5)C4;c1cc2c3c(c1)[nH]nc3CCN(C2=O)C4CC5CCN(C4)CC5","InChI=1S/C18H22N4O/c23-18-14-2-1-3-15-17(14)16(20-19-15)6-9-22(18)13-10-12-4-7-21(11-13)8-5-12/h1-3,12-13H,4-11H2,(H,19,20)/t13-/m0/s1","","2023-01-10","2023-12-22","5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one","2023-12-27"],["L8Z","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C102 H182 N2 O32 P2","CCCCCCCCCCCCCC(=O)O[CH](CCCC=CCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CC=CCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCC=CCC)[CH](OC(=O)C[CH](O)CC=CCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(CCCC=CCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)O)C(=O)O)OCC3C(C(C(C(O3)OP(=O)(O)O)NC(=O)CC(CCCCCCCC=CCC)O)OC(=O)CC(CC=CCCCCCCCC)O)O)NC(=O)CC(CC=CCCCCCCCC)OC(=O)CCCCCCCCCCC","InChI=1S/C102H182N2O32P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(113)129-80(66-60-54-48-42-35-29-23-17-11-5)72-90(115)133-98-92(104-86(111)71-79(65-59-53-47-41-34-28-22-16-10-4)128-87(112)67-61-55-49-43-36-30-24-18-12-6)99(131-84(96(98)135-137(120,121)122)76-127-102(101(118)119)73-81(108)93(116)95(134-102)82(109)74-105)126-75-83-94(117)97(132-89(114)70-78(107)64-58-52-46-40-33-27-21-15-9-3)91(100(130-83)136-138(123,124)125)103-85(110)69-77(106)63-57-51-45-39-32-26-20-14-8-2/h14,20,42,48,52-53,58-59,77-84,91-100,105-109,116-117H,7-13,15-19,21-41,43-47,49-51,54-57,60-76H2,1-6H3,(H,103,110)(H,104,111)(H,118,119)(H2,120,121,122)(H2,123,124,125)/b20-14+,48-42+,58-52+,59-53+/t77-,78-,79-,80-,81-,82-,83-,84-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,102-/m1/s1","","2022-06-21","2022-08-22","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2022-07-27"],["Y7I","(3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate","C17 H20 Cl2 N2 O3","CC(=O)N1CC2(CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)C1;CC(=O)N1CC2(CCN(CC2)C(=O)OCc3cc(Cl)cc(Cl)c3)C1;CC(=O)N1CC2(C1)CCN(CC2)C(=O)OCc3cc(cc(c3)Cl)Cl","InChI=1S/C17H20Cl2N2O3/c1-12(22)21-10-17(11-21)2-4-20(5-3-17)16(23)24-9-13-6-14(18)8-15(19)7-13/h6-8H,2-5,9-11H2,1H3","","2023-06-12","2024-12-13","(3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate","2024-12-18"],["A1C3V","N-(tert-butoxycarbonyl)-L-phenylalanine","C14 H19 N O4","O=C(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)C(O)=O;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O","InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1","","2025-12-22","2026-01-16","N-(tert-butoxycarbonyl)-L-phenylalanine","2025-12-31"],["L90","8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione","C20 H21 N7 O2","O=C5c1c(nc4n1cc(c2c(ccc3c2cnn3)C)n4CCCC)N(C(=O)N5)C;CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4c(C)ccc5[nH]ncc45;CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C","InChI=1S/C20H21N7O2/c1-4-5-8-26-14(15-11(2)6-7-13-12(15)9-21-24-13)10-27-16-17(22-19(26)27)25(3)20(29)23-18(16)28/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24)(H,23,28,29)","","2012-08-24","2013-01-18","8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione","2013-01-18"],["L91","6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide","C19 H18 F N5 O3 S","c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)S(C)(=O)=O)C(NC)=O)F;CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3[S](C)(=O)=O;CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F","InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)","","2019-02-14","2019-07-19","6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide","2019-07-24"],["Y7K","(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol","C22 H41 N3 O8","CC1OC2OC3C(OC2(O)C(O)(CNCCC2CCOCC2)C1)C(NC)C(O)C(NC)C3O;CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH](O[CH](C)C[C]3(O)CNCCC4CCOCC4)O[CH]2[CH]1O;CC1CC(C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O)(CNCCC4CCOCC4)O","InChI=1S/C22H41N3O8/c1-12-10-21(28,11-25-7-4-13-5-8-30-9-6-13)22(29)20(31-12)32-19-17(27)14(23-2)16(26)15(24-3)18(19)33-22/h12-20,23-29H,4-11H2,1-3H3/t12-,14-,15+,16+,17+,18-,19-,20+,21-,22-/m1/s1","","2023-11-26","2024-08-02","(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol","2024-08-07"],["A1C4E","(3S,5S)-1-{(4P)-4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-3-[(propan-2-yl)oxy]benzene-1-carbonyl}-N-methyl-5-phenylpiperidine-3-carboxamide","C30 H30 F2 N2 O5","CNC(=O)C1CC(CN(C1)C(=O)c1ccc(c2cccc3OC(F)(F)Oc23)c(OC(C)C)c1)c1ccccc1;CNC(=O)[CH]1C[CH](CN(C1)C(=O)c2ccc(c(OC(C)C)c2)c3cccc4OC(F)(F)Oc34)c5ccccc5;CC(C)Oc1cc(ccc1c2cccc3c2OC(O3)(F)F)C(=O)N4CC(CC(C4)C(=O)NC)c5ccccc5","InChI=1S/C30H30F2N2O5/c1-18(2)37-26-15-20(12-13-23(26)24-10-7-11-25-27(24)39-30(31,32)38-25)29(36)34-16-21(19-8-5-4-6-9-19)14-22(17-34)28(35)33-3/h4-13,15,18,21-22H,14,16-17H2,1-3H3,(H,33,35)/t21-,22+/m1/s1","","2026-01-08","2026-04-03","(3S,5S)-1-{(4P)-4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-3-[(propan-2-yl)oxy]benzene-1-carbonyl}-N-methyl-5-phenylpiperidine-3-carboxamide","2026-04-08"],["A1C4F","(3S,5S)-1-{(4P)-4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1-methyl-5-[(propan-2-yl)oxy]-1H-1,3-benzimidazole-7-carbonyl}-N-methyl-5-phenylpiperidine-3-carboxamide","C32 H32 F2 N4 O5","CNC(=O)C1CC(CN(C1)C(=O)c1cc(OC(C)C)c(c2cccc3OC(F)(F)Oc23)c2ncn(C)c21)c1ccccc1;CNC(=O)[CH]1C[CH](CN(C1)C(=O)c2cc(OC(C)C)c(c3cccc4OC(F)(F)Oc34)c5ncn(C)c25)c6ccccc6;CC(C)Oc1cc(c2c(c1c3cccc4c3OC(O4)(F)F)ncn2C)C(=O)N5CC(CC(C5)C(=O)NC)c6ccccc6","InChI=1S/C32H32F2N4O5/c1-18(2)41-25-14-23(31(40)38-15-20(19-9-6-5-7-10-19)13-21(16-38)30(39)35-3)28-27(36-17-37(28)4)26(25)22-11-8-12-24-29(22)43-32(33,34)42-24/h5-12,14,17-18,20-21H,13,15-16H2,1-4H3,(H,35,39)/t20-,21+/m1/s1","","2026-01-08","2026-04-03","(3S,5S)-1-{(4P)-4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1-methyl-5-[(propan-2-yl)oxy]-1H-1,3-benzimidazole-7-carbonyl}-N-methyl-5-phenylpiperidine-3-carboxamide","2026-04-08"],["Y7L","N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid","C21 H25 N5 O6 S","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(CCCCCn2ccc3N=C(N)NC(=O)c32)s1;NC1=Nc2ccn(CCCCCc3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1;c1cc(sc1CCCCCn2ccc3c2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H25N5O6S/c22-21-24-13-9-11-26(17(13)19(30)25-21)10-3-1-2-4-12-5-7-15(33-12)18(29)23-14(20(31)32)6-8-16(27)28/h5,7,9,11,14H,1-4,6,8,10H2,(H,23,29)(H,27,28)(H,31,32)(H3,22,24,25,30)/t14-/m0/s1","","2023-01-10","2023-09-01","N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid","2023-09-06"],["L92","(2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID","C26 H26 N2 O3","O=C(O)C(n1cccc1)Cc2ccc(cc2)CCCc3nc(oc3C)c4ccccc4;Cc1oc(nc1CCCc2ccc(C[CH](n3cccc3)C(O)=O)cc2)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)CC(C(=O)O)n4cccc4","InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m0/s1","","2007-06-12","2011-06-04","(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1H-pyrrol-1-yl)propanoic acid",""],["A1C4S","N-{6-[(3R)-2,6-dioxopiperidin-3-yl]naphthalen-1-yl}-N'-{2-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-2-yl}urea","C28 H24 F3 N3 O3 S","O=C1NC(=O)CCC1c1ccc2c(c1)cccc2NC(=O)NC(C)(C)c1cc2ccc(cc2s1)C(F)(F)F;CC(C)(NC(=O)Nc1cccc2cc(ccc12)[CH]3CCC(=O)NC3=O)c4sc5cc(ccc5c4)C(F)(F)F;CC(C)(c1cc2ccc(cc2s1)C(F)(F)F)NC(=O)Nc3cccc4c3ccc(c4)C5CCC(=O)NC5=O","InChI=1S/C28H24F3N3O3S/c1-27(2,23-13-17-6-8-18(28(29,30)31)14-22(17)38-23)34-26(37)32-21-5-3-4-15-12-16(7-9-19(15)21)20-10-11-24(35)33-25(20)36/h3-9,12-14,20H,10-11H2,1-2H3,(H2,32,34,37)(H,33,35,36)/t20-/m1/s1","","2026-01-12","2026-04-17","N-{6-[(3R)-2,6-dioxopiperidin-3-yl]naphthalen-1-yl}-N'-{2-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-2-yl}urea","2026-04-22"],["Y7M","(1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C25 H41 N3 O8 S","CC(C)C[CH](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3","InChI=1S/C25H41N3O8S/c1-14(2)5-19(22(30)27-20(23(31)37(33,34)35)9-18-3-4-26-21(18)29)28-24(32)36-13-25-10-15-6-16(11-25)8-17(7-15)12-25/h14-20,23,31H,3-13H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,16+,17-,18-,19-,20-,23-,25-/m0/s1","","2021-02-09","2024-09-27","(2~{S})-2-[[(2~{S})-2-(1-adamantylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["L93","6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","C20 H19 F N2 O4","COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21;COc1ccccc1O[CH](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23;CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC","InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1","","2023-08-15","2023-11-03","6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["Y7N","5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid","C24 H26 N2 O5","O=C(NC2C(/c1ccccc1C2)=C/c3ccc4OCOc4c3C(=O)O)CCCCCN;NCCCCCC(=O)N[CH]1Cc2ccccc2C1=Cc3ccc4OCOc4c3C(O)=O;c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN","InChI=1S/C24H26N2O5/c25-11-5-1-2-8-21(27)26-19-13-15-6-3-4-7-17(15)18(19)12-16-9-10-20-23(31-14-30-20)22(16)24(28)29/h3-4,6-7,9-10,12,19H,1-2,5,8,11,13-14,25H2,(H,26,27)(H,28,29)/b18-12+/t19-/m0/s1","","2013-12-07","2014-09-05","5-[(E)-{(2S)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-ylidene}methyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["A1C4W","PLX-3618","C32 H27 N9 O2 S","O=C(Nc1cccc(c1)c1ccc(cc1)C1=NC(CC(N)=O)c2nnc(C)n2c2sc(C)c(C)c21)c1cnn2cccnc21;Cc1sc2n3c(C)nnc3[CH](CC(N)=O)N=C(c4ccc(cc4)c5cccc(NC(=O)c6cnn7cccnc67)c5)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)N)c4ccc(cc4)c5cccc(c5)NC(=O)c6cnn7c6nccc7)C","InChI=1S/C32H27N9O2S/c1-17-18(2)44-32-27(17)28(37-25(15-26(33)42)30-39-38-19(3)41(30)32)21-10-8-20(9-11-21)22-6-4-7-23(14-22)36-31(43)24-16-35-40-13-5-12-34-29(24)40/h4-14,16,25H,15H2,1-3H3,(H2,33,42)(H,36,43)/t25-/m0/s1","","2026-01-13","2026-04-17","(8R)-N-{4'-[(6S,10P)-6-(2-amino-2-oxoethyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl][1,1'-biphenyl]-3-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2026-04-22"],["L94","N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium","C18 H36 N6","C(/c1ccc(C(/N)=[NH+]/CCC[NH+](C)C)cc1)(=[NH+]CCC[NH+](C)C)N;C[NH+](C)CCC[NH+]=C(N)c1ccc(cc1)C(N)=[NH+]CCC[NH+](C)C;C[NH+](C)CCC[NH+]=C(c1ccc(cc1)C(=[NH+]CCC[NH+](C)C)N)N","InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)/p+4","","2011-02-09","2011-06-10","(Z,Z)-{benzene-1,4-diylbis[(Z)-aminomethylylidene]}bis{[3-(dimethylammonio)propyl]ammonium}",""],["A1C5F","(11R)-8-chloro-3,11-dimethyl-2-(oxan-4-yl)-2,4,10,11,12,13-hexahydro-9,5-(azeno)pyrazolo[3,4-b][1,4,6,10]oxatriazacyclotridecine","C17 H23 Cl N6 O2","Clc1cnc2Nc3c(nn(C4CCOCC4)c3C)OCCC(C)Nc1n2;C[CH]1CCOc2nn(C3CCOCC3)c(C)c2Nc4ncc(Cl)c(N1)n4;Cc1c2c(nn1C3CCOCC3)OCCC(Nc4c(cnc(n4)N2)Cl)C","InChI=1S/C17H23ClN6O2/c1-10-3-8-26-16-14(21-17-19-9-13(18)15(20-10)22-17)11(2)24(23-16)12-4-6-25-7-5-12/h9-10,12H,3-8H2,1-2H3,(H2,19,20,21,22)/t10-/m1/s1","","2026-01-22","2026-04-03","(11R)-8-chloro-3,11-dimethyl-2-(oxan-4-yl)-2,4,10,11,12,13-hexahydro-9,5-(azeno)pyrazolo[3,4-b][1,4,6,10]oxatriazacyclotridecine","2026-04-08"],["Y7O","N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide","C18 H18 N4 O2","CN1C(=O)NN=C1CC(=O)N(Cc1ccccc1)c1ccccc1;CN1C(=O)NN=C1CC(=O)N(Cc2ccccc2)c3ccccc3;CN1C(=NNC1=O)CC(=O)N(Cc2ccccc2)c3ccccc3","InChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24)","","2023-06-12","2024-12-13","N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide","2024-12-18"],["L95","[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-5,7,9,11,13,15-hexamethyl-19-[(2~{S},3~{R})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate","C32 H55 N O7","CCC=C[CH](C)[CH](OC(N)=O)[CH](C)[CH](O)[CH](C)CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)CC[CH]1C;CCC=CC(C)C(C(C)C(C(C)CC(=CC(C)C(C(C)C=CC(CC1C(CCC(=O)O1)C)O)O)C)O)OC(=O)N","InChI=1S/C32H55NO7/c1-9-10-11-22(5)31(40-32(33)38)25(8)30(37)24(7)17-19(2)16-23(6)29(36)21(4)12-14-26(34)18-27-20(3)13-15-28(35)39-27/h10-12,14,16,20-27,29-31,34,36-37H,9,13,15,17-18H2,1-8H3,(H2,33,38)/b11-10-,14-12-,19-16-/t20-,21+,22+,23+,24+,25+,26-,27+,29+,30-,31+/m1/s1","","2019-07-30","2020-07-03","[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-5,7,9,11,13,15-hexamethyl-19-[(2~{S},3~{R})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate","2020-07-08"],["L96","3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid","C28 H31 N3 O3","O=C(O)CCn1c5c(c(c1c2cccc(c2)OC(C)C)c3c(nnc3C)C)cc(C4CC4)cc5;CC(C)Oc1cccc(c1)c2n(CCC(O)=O)c3ccc(cc3c2c4c(C)[nH]nc4C)C5CC5;Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5","InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)","","2015-08-12","2016-06-17","3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid","2016-06-22"],["A1C5G","(10aS,13aS)-3-cyclobutyl-1-methyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-9,5-(azeno)furo[3,4-k]pyrazolo[4,3-b][1,4,6,10]oxatriazacyclotridecine","C18 H21 F3 N6 O2","FC(F)(F)c1cnc2Nc3c(OCC4COCC4Nc1n2)c(C)nn3C1CCC1;Cc1nn(C2CCC2)c3Nc4ncc(c(N[CH]5COC[CH]5COc13)n4)C(F)(F)F;Cc1c2c(n(n1)C3CCC3)Nc4ncc(c(n4)NC5COCC5CO2)C(F)(F)F","InChI=1S/C18H21F3N6O2/c1-9-14-16(27(26-9)11-3-2-4-11)25-17-22-5-12(18(19,20)21)15(24-17)23-13-8-28-6-10(13)7-29-14/h5,10-11,13H,2-4,6-8H2,1H3,(H2,22,23,24,25)/t10-,13+/m0/s1","","2026-01-22","2026-04-03","(10aS,13aS)-3-cyclobutyl-1-methyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-9,5-(azeno)furo[3,4-k]pyrazolo[4,3-b][1,4,6,10]oxatriazacyclotridecine","2026-04-08"],["Y7Q","~{N}-[2-(7-azanylheptyl)-1-(phenylmethyl)benzimidazol-5-yl]-2,4,6-trimethyl-benzenesulfonamide","C30 H38 N4 O2 S","Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCN)nc3c2;Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc3c(c2)nc(n3Cc4ccccc4)CCCCCCCN)C","InChI=1S/C30H38N4O2S/c1-22-18-23(2)30(24(3)19-22)37(35,36)33-26-15-16-28-27(20-26)32-29(14-10-5-4-6-11-17-31)34(28)21-25-12-8-7-9-13-25/h7-9,12-13,15-16,18-20,33H,4-6,10-11,14,17,21,31H2,1-3H3","","2023-11-28","2025-06-06","~{N}-[2-(7-azanylheptyl)-1-(phenylmethyl)benzimidazol-5-yl]-2,4,6-trimethyl-benzenesulfonamide","2025-06-11"],["Y7R","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate","C17 H28 O2","CC(=O)OCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C","InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+","(2E,6E)-farnesyl acetate","2023-02-22","2023-03-24","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate","2023-03-29"],["L97","2-chloranylpyridin-3-amine","C5 H5 Cl N2","Nc1cccnc1Cl;c1cc(c(nc1)Cl)N","InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2","","2017-04-13","2017-07-07","2-chloranylpyridin-3-amine","2017-07-12"],["A1C5H","(10aS,13aS)-3-cyclopropyl-1-methyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-9,5-(azeno)furo[3,4-k]pyrazolo[4,3-b][1,4,6,10]oxatriazacyclotridecine","C17 H19 F3 N6 O2","FC(F)(F)c1cnc2Nc3c(OCC4COCC4Nc1n2)c(C)nn3C1CC1;Cc1nn(C2CC2)c3Nc4ncc(c(N[CH]5COC[CH]5COc13)n4)C(F)(F)F;Cc1c2c(n(n1)C3CC3)Nc4ncc(c(n4)NC5COCC5CO2)C(F)(F)F","InChI=1S/C17H19F3N6O2/c1-8-13-15(26(25-8)10-2-3-10)24-16-21-4-11(17(18,19)20)14(23-16)22-12-7-27-5-9(12)6-28-13/h4,9-10,12H,2-3,5-7H2,1H3,(H2,21,22,23,24)/t9-,12+/m0/s1","","2026-01-22","2026-04-03","(10aS,13aS)-3-cyclopropyl-1-methyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-9,5-(azeno)furo[3,4-k]pyrazolo[4,3-b][1,4,6,10]oxatriazacyclotridecine","2026-04-08"],["Y7S","(1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid","C15 H21 N2 O7 P","Oc1c(CNC2=CC(CC2C)C(=O)O)c(cnc1C)COP(=O)(O)O;C[CH]1C[CH](C=C1NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC(CC2C)C(=O)O)O","InChI=1S/C15H21N2O7P/c1-8-3-10(15(19)20)4-13(8)17-6-12-11(7-24-25(21,22)23)5-16-9(2)14(12)18/h4-5,8,10,17-18H,3,6-7H2,1-2H3,(H,19,20)(H2,21,22,23)/t8-,10+/m0/s1","","2021-02-09","2024-09-27","(1R,4S)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclopent-2-ene-1-carboxylic acid","2021-08-25"],["L98","(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID","C10 H13 N3 O2 S","O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS;NC(=N)Nc1cccc(c1)[CH](CS)C(O)=O;c1cc(cc(c1)NC(=N)N)C(CS)C(=O)O","InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1","2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID","2005-04-28","2020-06-17","(2R)-2-(3-carbamimidamidophenyl)-3-sulfanylpropanoic acid",""],["A1C5K","1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one","C40 H39 F3 N8 O2","FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N(C)C1CCN(C(=O)CCc2cnccn2)C1C)c1cccc2ccc(F)c(C#C)c21;C[CH]1[CH](CCN1C(=O)CCc2cnccn2)N(C)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cccc8ccc(F)c(C#C)c78;CC1C(CCN1C(=O)CCc2cnccn2)N(C)c3c4cnc(c(c4nc(n3)OCC56CCCN5CC(C6)F)F)c7cccc8c7c(c(cc8)F)C#C","InChI=1S/C40H39F3N8O2/c1-4-28-31(42)11-9-25-7-5-8-29(34(25)28)36-35(43)37-30(21-46-36)38(48-39(47-37)53-23-40-14-6-17-50(40)22-26(41)19-40)49(3)32-13-18-51(24(32)2)33(52)12-10-27-20-44-15-16-45-27/h1,5,7-9,11,15-16,20-21,24,26,32H,6,10,12-14,17-19,22-23H2,2-3H3/t24-,26-,32-,40+/m1/s1","","2026-01-23","2026-02-27","1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one","2026-03-04"],["L99","3,4-bis(azanyl)benzohydrazide","C7 H10 N4 O","NNC(=O)c1ccc(N)c(N)c1;c1cc(c(cc1C(=O)NN)N)N","InChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)","","2017-04-13","2017-07-07","3,4-bis(azanyl)benzohydrazide","2017-07-12"],["Y7T","4-[(4-{[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2-fluorobenzonitrile","C25 H23 F N8 O2","CC(=O)N1CCN(CC1)c1ccc2N=CN(Cc3cn(Cc4cc(F)c(C#N)cc4)nn3)C(=O)c2c1;CC(=O)N1CCN(CC1)c2ccc3N=CN(Cc4cn(Cc5ccc(C#N)c(F)c5)nn4)C(=O)c3c2;CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3)Cc4cn(nn4)Cc5ccc(c(c5)F)C#N","InChI=1S/C25H23FN8O2/c1-17(35)31-6-8-32(9-7-31)21-4-5-24-22(11-21)25(36)33(16-28-24)14-20-15-34(30-29-20)13-18-2-3-19(12-27)23(26)10-18/h2-5,10-11,15-16H,6-9,13-14H2,1H3","","2023-06-12","2024-12-13","4-[(4-{[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2-fluorobenzonitrile","2024-12-18"],["A1C60","4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazoline-6-carbonitrile","C33 H39 F N8 O2","CCC(=O)N1CC(C)N(CC1C)c1nc(OCC2CCCN2C)nc2c1cc(C#N)c(c1c(C)ccc3cnn(C)c13)c2F;CCC(=O)N1C[CH](C)N(C[CH]1C)c2nc(OC[CH]3CCCN3C)nc4c(F)c(c(cc24)C#N)c5c(C)ccc6cnn(C)c56;CCC(=O)N1CC(N(CC1C)c2c3cc(c(c(c3nc(n2)OCC4CCCN4C)F)c5c(ccc6c5n(nc6)C)C)C#N)C","InChI=1S/C33H39FN8O2/c1-7-26(43)41-16-21(4)42(17-20(41)3)32-25-13-23(14-35)28(27-19(2)10-11-22-15-36-40(6)31(22)27)29(34)30(25)37-33(38-32)44-18-24-9-8-12-39(24)5/h10-11,13,15,20-21,24H,7-9,12,16-18H2,1-6H3/t20-,21+,24+/m1/s1","(7P)-7-(1,6-dimethyl-1H-indazol-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazoline-6-carbonitrile","2026-01-29","2026-04-10","(7P)-7-(1,6-dimethyl-1H-indazol-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazoline-6-carbonitrile","2026-04-15"],["A1C66","N-[(3M)-3-{5-chloro-2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}-1-methyl-1H-indol-6-yl]propanamide","C26 H27 Cl N6 O2","CCC(=O)Nc1cc2c(cc1)c(cn2C)c1nc(ncc1Cl)Nc1ccc(cc1)N1CCOCC1;CCC(=O)Nc1ccc2c(c1)n(C)cc2c3nc(Nc4ccc(cc4)N5CCOCC5)ncc3Cl;CCC(=O)Nc1ccc2c(c1)n(cc2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)Cl)C","InChI=1S/C26H27ClN6O2/c1-3-24(34)29-18-6-9-20-21(16-32(2)23(20)14-18)25-22(27)15-28-26(31-25)30-17-4-7-19(8-5-17)33-10-12-35-13-11-33/h4-9,14-16H,3,10-13H2,1-2H3,(H,29,34)(H,28,30,31)","","2026-01-30","2026-04-10","N-[(3M)-3-{5-chloro-2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}-1-methyl-1H-indol-6-yl]propanamide","2026-04-15"],["Y7U","2',2'-Difluorodeoxyuridine","C9 H10 F2 N2 O5","OC[CH]1O[CH](N2C=CC(=O)NC2=O)C(F)(F)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F","InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)","1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione","2023-11-27","2024-11-22","1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione","2024-11-27"],["L9A","6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide","C18 H20 N4 O4 S","c3(c(Nc2c(cnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3)S(C)(=O)=O;CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc3ccccc3[S](C)(=O)=O;CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3","InChI=1S/C18H20N4O4S/c1-19-18(24)12-10-20-16(22-17(23)11-7-8-11)9-14(12)21-13-5-3-4-6-15(13)27(2,25)26/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23)","","2019-02-14","2019-07-19","6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide","2019-07-24"],["L9B","4-(4-oxidanylbutyl)benzenesulfonamide","C10 H15 N O3 S","N[S](=O)(=O)c1ccc(CCCCO)cc1;c1cc(ccc1CCCCO)S(=O)(=O)N","InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)","","2019-07-30","2020-08-21","4-(4-oxidanylbutyl)benzenesulfonamide","2020-08-26"],["A1C67","N-[(3M)-3-{2-[(1-ethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1-methyl-1H-indol-6-yl]propanamide","C21 H23 N7 O","CCn1cc(Nc2nc(ccn2)c2cn(C)c3cc(NC(=O)CC)ccc32)cn1;CCn1cc(Nc2nccc(n2)c3cn(C)c4cc(NC(=O)CC)ccc34)cn1;CCC(=O)Nc1ccc2c(c1)n(cc2c3ccnc(n3)Nc4cnn(c4)CC)C","InChI=1S/C21H23N7O/c1-4-20(29)24-14-6-7-16-17(13-27(3)19(16)10-14)18-8-9-22-21(26-18)25-15-11-23-28(5-2)12-15/h6-13H,4-5H2,1-3H3,(H,24,29)(H,22,25,26)","","2026-01-30","2026-04-10","N-[(3M)-3-{2-[(1-ethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1-methyl-1H-indol-6-yl]propanamide","2026-04-15"],["Y7V","1-fluoranyl-3-iodanyl-benzene","C6 H4 F I","Fc1cccc(I)c1;c1cc(cc(c1)I)F","InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H","","2021-02-10","2021-05-14","1-fluoranyl-3-iodanyl-benzene","2021-05-19"],["Y7W","pirtobrutinib","C22 H21 F4 N5 O3","FC(F)(F)C(C)n1nc(c2ccc(CNC(=O)c3cc(F)ccc3OC)cc2)c(c1N)C(N)=O;COc1ccc(F)cc1C(=O)NCc2ccc(cc2)c3nn([CH](C)C(F)(F)F)c(N)c3C(N)=O;CC(C(F)(F)F)n1c(c(c(n1)c2ccc(cc2)CNC(=O)c3cc(ccc3OC)F)C(=O)N)N","InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1","5-amino-3-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide","2023-01-11","2023-02-24","5-amino-3-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide","2023-03-01"],["L9C","2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide","C23 H22 Cl2 N2 O3 S","O=C(CCl)N(C(c1cccs1)C(=O)NCCc1ccccc1)c1ccc(OC)c(Cl)c1;COc1ccc(cc1Cl)N([CH](C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl;COc1ccc(cc1Cl)N(C(c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl","InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)/t22-/m0/s1","","2022-03-01","2024-09-27","2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide","2022-12-07"],["A1C6Q","(3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one","C23 H21 Cl F N5 O3","Nc1n(Cc2ccccc2)ncc1C(=O)N1CCCC2(C1)OC(=O)Nc1ccc(Cl)c(F)c12;Nc1n(Cc2ccccc2)ncc1C(=O)N3CCC[C]4(C3)OC(=O)Nc5ccc(Cl)c(F)c45;c1ccc(cc1)Cn2c(c(cn2)C(=O)N3CCCC4(C3)c5c(ccc(c5F)Cl)NC(=O)O4)N","InChI=1S/C23H21ClFN5O3/c24-16-7-8-17-18(19(16)25)23(33-22(32)28-17)9-4-10-29(13-23)21(31)15-11-27-30(20(15)26)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13,26H2,(H,28,32)/t23-/m0/s1","","2026-01-28","2026-03-06","(3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one","2026-03-11"],["A1C6T","(2R,3E)-2-hydroxy-5-oxopent-3-en-1-yl dihydrogen phosphate","C5 H9 O6 P","O=P(O)(O)OCC(O)/C=C/C=O;O[CH](CO[P](O)(O)=O)C=CC=O;C(C(C=CC=O)O)OP(=O)(O)O","InChI=1S/C5H9O6P/c6-3-1-2-5(7)4-11-12(8,9)10/h1-3,5,7H,4H2,(H2,8,9,10)/b2-1+/t5-/m1/s1","","2026-01-28","2026-04-10","(2R,3E)-2-hydroxy-5-oxopent-3-en-1-yl dihydrogen phosphate","2026-04-15"],["Y7X","3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine","C11 H7 Br F3 N3","Brc1nc(cnc1N)c1ccc(cc1)C(F)(F)F;Nc1ncc(nc1Br)c2ccc(cc2)C(F)(F)F;c1cc(ccc1c2cnc(c(n2)Br)N)C(F)(F)F","InChI=1S/C11H7BrF3N3/c12-9-10(16)17-5-8(18-9)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17)","","2023-06-12","2024-12-13","3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine","2024-12-18"],["L9D","(1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid","C7 H13 N O6","C1(C(C(C(C(C1N)C(O)=O)O)O)O)O;N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1C(O)=O;C1(C(C(C(C(C1O)O)O)O)N)C(=O)O","InChI=1S/C7H13NO6/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,9-12H,8H2,(H,13,14)/t1-,2+,3+,4-,5-,6-/m0/s1","cyclophellitol-aziridine, open form","2019-02-14","2021-03-13","(1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid","2019-12-18"],["Y7Y","methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate","C13 H20 N2 O5 S","O=C(OC)CCCCC1SCC2N(C(=O)OC)C(=O)NC12;COC(=O)CCCC[CH]1SC[CH]2[CH]1NC(=O)N2C(=O)OC;COC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(=O)OC","InChI=1S/C13H20N2O5S/c1-19-10(16)6-4-3-5-9-11-8(7-21-9)15(12(17)14-11)13(18)20-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)/t8-,9-,11-/m0/s1","","2015-01-16","2015-06-05","methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate","2015-06-10"],["A1C6Y","1-((2R,5S)-4-((S)-6-chloro-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-2,5-dimethylpiperazin-1-yl)prop-2-en-1-one","C32 H39 Cl F N7 O2","CCC(=O)N1CC(C)N(CC1C)c1nc(OCC2CCCN2C)nc2c(F)c(c3c(C)ccc4cnn(C)c34)c(Cl)cc21;CCC(=O)N1C[CH](C)N(C[CH]1C)c2nc(OC[CH]3CCCN3C)nc4c(F)c(c(Cl)cc24)c5c(C)ccc6cnn(C)c56;CCC(=O)N1CC(N(CC1C)c2c3cc(c(c(c3nc(n2)OCC4CCCN4C)F)c5c(ccc6c5n(nc6)C)C)Cl)C","InChI=1S/C32H39ClFN7O2/c1-7-25(42)40-15-20(4)41(16-19(40)3)31-23-13-24(33)27(26-18(2)10-11-21-14-35-39(6)30(21)26)28(34)29(23)36-32(37-31)43-17-22-9-8-12-38(22)5/h10-11,13-14,19-20,22H,7-9,12,15-17H2,1-6H3/t19-,20+,22+/m1/s1","1-{(2R,5S)-4-[(7M)-6-chloro-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl}propan-1-one","2026-01-29","2026-04-10","1-{(2R,5S)-4-[(7M)-6-chloro-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl}propan-1-one","2026-04-15"],["L9E","N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide","C21 H25 F N4 O2","CN(CCCN)C(=O)c1cccc(N[CH]2CCN(C2=O)c3ccccc3F)c1;CN(CCCN)C(=O)c1cccc(c1)NC2CCN(C2=O)c3ccccc3F","InChI=1S/C21H25FN4O2/c1-25(12-5-11-23)20(27)15-6-4-7-16(14-15)24-18-10-13-26(21(18)28)19-9-3-2-8-17(19)22/h2-4,6-9,14,18,24H,5,10-13,23H2,1H3/t18-/m0/s1","(S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide","2022-06-27","2022-09-30","~{N}-(3-azanylpropyl)-3-[[(3~{S})-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-~{N}-methyl-benzamide","2022-10-05"],["Y7Z","UCL1684","C34 H30 N4","C1Nc2cc[n](Cc3cccc(C[n]4ccc(NCc5ccc1cc5)c6ccccc46)c3)c7ccccc27;c1cc2cc(c1)C[N]3=C4C=CC=CC4=C(C=C3)NCc5ccc(cc5)CNC6=C7C=CC=CC7=[N](C2)C=C6","InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2","","2023-11-28","2025-04-18","","2025-04-23"],["A1C6Z","(3'R)-1'-{(1P)-5-amino-1-[2-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one","C23 H18 Cl F4 N5 O4","FC(F)(F)Oc1ccccc1n1ncc(c1N)C(=O)N1CCCC2(C1)OC(=O)Nc1ccc(Cl)c(F)c12;Nc1n(ncc1C(=O)N2CCC[C]3(C2)OC(=O)Nc4ccc(Cl)c(F)c34)c5ccccc5OC(F)(F)F;c1ccc(c(c1)n2c(c(cn2)C(=O)N3CCCC4(C3)c5c(ccc(c5F)Cl)NC(=O)O4)N)OC(F)(F)F","InChI=1S/C23H18ClF4N5O4/c24-13-6-7-14-17(18(13)25)22(37-21(35)31-14)8-3-9-32(11-22)20(34)12-10-30-33(19(12)29)15-4-1-2-5-16(15)36-23(26,27)28/h1-2,4-7,10H,3,8-9,11,29H2,(H,31,35)/t22-/m0/s1","","2026-01-29","2026-03-06","(3'R)-1'-{(1P)-5-amino-1-[2-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one","2026-03-11"],["L9F","(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione","C14 H10 Cl N3 O2","Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1;Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O;c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3","InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1","","2023-08-15","2023-11-03","(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione","2023-11-08"],["A1C7M","(3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one","C20 H20 Cl F4 N5 O3","FC(F)(F)C(CC)n1ncc(c1N)C(=O)N1CCCC2(C1)OC(=O)Nc1ccc(Cl)c(F)c12;CC[CH](n1ncc(c1N)C(=O)N2CCC[C]3(C2)OC(=O)Nc4ccc(Cl)c(F)c34)C(F)(F)F;CCC(C(F)(F)F)n1c(c(cn1)C(=O)N2CCCC3(C2)c4c(ccc(c4F)Cl)NC(=O)O3)N","InChI=1S/C20H20ClF4N5O3/c1-2-13(20(23,24)25)30-16(26)10(8-27-30)17(31)29-7-3-6-19(9-29)14-12(28-18(32)33-19)5-4-11(21)15(14)22/h4-5,8,13H,2-3,6-7,9,26H2,1H3,(H,28,32)/t13-,19-/m0/s1","","2026-02-03","2026-03-06","(3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one","2026-03-11"],["L9G","3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide","C22 H18 F2 N4 O","Fc1ccc(c(F)c1)CCc3ccc4nnc(c2cc(C(=O)N)ccc2C)n4c3;Cc1ccc(cc1c2nnc3ccc(CCc4ccc(F)cc4F)cn23)C(N)=O;Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N","InChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29)","","2009-10-28","2011-06-04","3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide",""],["Y80","4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one","C24 H20 N2 O3","O=C1CN(c2c(N1)cccc2)C(=O)C(c3ccccc3)=[C@H]c4ccc(cc4)OC;COc1ccc(cc1)C=C(C(=O)N2CC(=O)Nc3ccccc23)c4ccccc4;COc1ccc(cc1)C=C(c2ccccc2)C(=O)N3CC(=O)Nc4c3cccc4","InChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)15-20(18-7-3-2-4-8-18)24(28)26-16-23(27)25-21-9-5-6-10-22(21)26/h2-15H,16H2,1H3,(H,25,27)/b20-15+","","2015-03-10","2016-01-08","4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one","2016-01-13"],["Y81","4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one","C20 H15 N3 O2","O=C(N1CC(Nc2c1cccc2)=O)c3cncc(c3)c4ccccc4;O=C1CN(C(=O)c2cncc(c2)c3ccccc3)c4ccccc4N1;c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4","InChI=1S/C20H15N3O2/c24-19-13-23(18-9-5-4-8-17(18)22-19)20(25)16-10-15(11-21-12-16)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)","","2015-03-10","2016-01-08","4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one","2016-01-13"],["A1C86","2-({5-chloro-2-[4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]pyrimidin-4-yl}amino)benzamide","C24 H28 Cl N7 O2","CCN1CCN(CC1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c(Cl)cn2)c(OC)c1;CCN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(N)=O)n3)c(OC)c2;CCN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4C(=O)N)Cl","InChI=1S/C24H28ClN7O2/c1-3-31-10-12-32(13-11-31)16-8-9-20(21(14-16)34-2)29-24-27-15-18(25)23(30-24)28-19-7-5-4-6-17(19)22(26)33/h4-9,14-15H,3,10-13H2,1-2H3,(H2,26,33)(H2,27,28,29,30)","","2026-02-24","2026-04-03","2-({5-chloro-2-[4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]pyrimidin-4-yl}amino)benzamide","2026-04-08"],["L9H","[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate","C45 H89 O12 P","CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C45H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,40-45,47-51H,3-37H2,1-2H3,(H,52,53)/t38-,40-,41-,42+,43-,44-,45-/m1/s1","","2023-08-21","2023-12-15","[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate","2023-12-20"],["L9I","ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate","C6 H9 N O4","CCOC(=O)C(=NO)C(C)=O;CCOC(=O)C(=NO)C(=O)C","InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h10H,3H2,1-2H3/b7-5-","","2022-06-29","2023-02-24","ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate","2023-03-01"],["Y82","5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one","C17 H20 N4 O","O=C1c2cccc3[NH]nc(CCN1C1CN4CCC1CC4)c23;O=C1N(CCc2n[nH]c3cccc1c23)[CH]4CN5CCC4CC5;c1cc2c3c(c1)[nH]nc3CCN(C2=O)C4CN5CCC4CC5","InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1","","2023-01-11","2023-12-22","5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one","2023-12-27"],["A1C8V","(7R)-8-cyclopentyl-2-(3,5-dichloro-4-hydroxyanilino)-5-methyl-7-[(pyridin-2-yl)methyl]-7,8-dihydropteridin-6(5H)-one","C24 H24 Cl2 N6 O2","Clc1cc(cc(Cl)c1O)Nc1ncc2c(n1)N(C(Cc1ccccn1)C(=O)N2C)C1CCCC1;CN1C(=O)[CH](Cc2ccccn2)N(C3CCCC3)c4nc(Nc5cc(Cl)c(O)c(Cl)c5)ncc14;CN1c2cnc(nc2N(C(C1=O)Cc3ccccn3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl","InChI=1S/C24H24Cl2N6O2/c1-31-20-13-28-24(29-15-10-17(25)21(33)18(26)11-15)30-22(20)32(16-7-2-3-8-16)19(23(31)34)12-14-6-4-5-9-27-14/h4-6,9-11,13,16,19,33H,2-3,7-8,12H2,1H3,(H,28,29,30)/t19-/m1/s1","","2026-02-21","2026-04-24","(7R)-8-cyclopentyl-2-(3,5-dichloro-4-hydroxyanilino)-5-methyl-7-[(pyridin-2-yl)methyl]-7,8-dihydropteridin-6(5H)-one","2026-04-29"],["L9J","(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide","C40 H54 F2 N6 O9 S","C34CN(C(C(=O)NC2(C(NS(C1(CC1)C)(=O)=O)=O)C(C(F)F)C2)C3CC)C(C(C(C)(C)C)NC(=O)OC7C(CCCCCc6c(O4)nc5cc(OC)ccc5n6)C7)=O;CC[CH]1[CH]2C[N]([CH]1C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=O)[CH](NC(=O)O[CH]5C[CH]5CCCCCc6nc7ccc(OC)cc7nc6O2)C(C)(C)C;CCC1C2CN(C1C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)C(NC(=O)OC5CC5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C","InChI=1S/C40H54F2N6O9S/c1-7-23-29-20-48(30(23)33(49)46-40(19-24(40)32(41)42)36(51)47-58(53,54)39(5)15-16-39)35(50)31(38(2,3)4)45-37(52)57-28-17-21(28)11-9-8-10-12-26-34(56-29)44-27-18-22(55-6)13-14-25(27)43-26/h13-14,18,21,23-24,28-32H,7-12,15-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,23-,24+,28-,29+,30+,31-,40-/m1/s1","","2019-02-15","2019-07-05","(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide","2019-07-10"],["Y83","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","C31 H37 N5 O3 S","CC(C)(C)OC(=O)NC(CSCC(C(=O)NCc1cnccc1)Nc2ccccc2)Cc4c3c(cccc3)nc4;CC(C)(C)OC(=O)N[CH](CSC[CH](Nc1ccccc1)C(=O)NCc2cccnc2)Cc3c[nH]c4ccccc34;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCC(C(=O)NCc3cccnc3)Nc4ccccc4","InChI=1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28+/m0/s1","","2017-10-25","2017-12-08","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","2017-12-13"],["A1C94","2-amino-N-[(2S)-butan-2-yl]benzamide","C11 H16 N2 O","O=C(NC(C)CC)c1ccccc1N;CC[CH](C)NC(=O)c1ccccc1N;CCC(C)NC(=O)c1ccccc1N","InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1","","2026-03-06","2026-03-13","2-amino-N-[(2S)-butan-2-yl]benzamide","2026-03-18"],["Y84","1-fluoranylnaphthalene","C10 H7 F","Fc1cccc2ccccc12;c1ccc2c(c1)cccc2F","InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H","","2021-02-10","2021-05-14","1-fluoranylnaphthalene","2021-05-19"],["A1C95","4-[(pyridin-4-yl)methyl]aniline","C12 H12 N2","Nc1ccc(cc1)Cc1ccncc1;Nc1ccc(Cc2ccncc2)cc1;c1cc(ccc1Cc2ccncc2)N","InChI=1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2","","2026-03-06","2026-03-13","4-[(pyridin-4-yl)methyl]aniline","2026-03-18"],["L9K","(~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine","C21 H17 N5 O3 S","C[S](=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4occc34)n5cnnc25;CS(=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4c3cco4)n5c2nnc5","InChI=1S/C21H17N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-10,12-13H,11H2,1H3,(H,22,23)","","2019-08-01","2021-07-12","(~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine","2019-09-25"],["A1C99","(3P)-6-(4-methylpiperazin-1-yl)-3-(naphthalen-1-yl)-4-(pyridin-4-yl)pyridazine","C24 H23 N5","CN1CCN(CC1)c1nnc(c2cccc3ccccc32)c(c1)c1ccncc1;CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4cccc5ccccc45;CN1CCN(CC1)c2cc(c(nn2)c3cccc4c3cccc4)c5ccncc5","InChI=1S/C24H23N5/c1-28-13-15-29(16-14-28)23-17-22(19-9-11-25-12-10-19)24(27-26-23)21-8-4-6-18-5-2-3-7-20(18)21/h2-12,17H,13-16H2,1H3","","2026-03-09","2026-04-03","(3P)-6-(4-methylpiperazin-1-yl)-3-(naphthalen-1-yl)-4-(pyridin-4-yl)pyridazine","2026-04-08"],["Y85","2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine","C17 H20 Cl N O","CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccccn1;Cc1cc(OCc2ccccn2)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)OCc2ccccn2","InChI=1S/C17H20ClNO/c1-12-9-16(14(10-15(12)18)17(2,3)4)20-11-13-7-5-6-8-19-13/h5-10H,11H2,1-4H3","","2023-06-12","2024-12-13","2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine","2024-12-18"],["L9L","5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one","C21 H19 F3 N4 O S","FC(F)(F)c1ccc(cc1)CC(N)CNc2ncc(s2)c4ccc3NC(=O)Cc3c4;N[CH](CNc1sc(cn1)c2ccc3NC(=O)Cc3c2)Cc4ccc(cc4)C(F)(F)F;c1cc(ccc1CC(CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F","InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1","","2010-04-21","2011-06-04","5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one",""],["L9M","(2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine","C20 H22 N6 S","Cc1ccc(C[CH](N)CNc2sc(nn2)c3ccc4[nH]nc(C)c4c3)cc1;Cc1ccc(cc1)CC(CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N","InChI=1S/C20H22N6S/c1-12-3-5-14(6-4-12)9-16(21)11-22-20-26-25-19(27-20)15-7-8-18-17(10-15)13(2)23-24-18/h3-8,10,16H,9,11,21H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1","","2010-01-19","2011-06-04","(2S)-N1-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine",""],["A1C9A","1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(4S,6P)-6-(5-fluoro-1H-indol-2-yl)imidazo[1,2-a]pyrazin-2-yl]pyridin-1-ium (non-preferred name)","C34 H34 F N10 O13 P2","Fc1cc2cc([NH]c2cc1)c1ncc2nc(cn2c1)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5ccc(cc5)c6cn7cc(ncc7n6)c8[nH]c9ccc(F)cc9c8)[CH](O)[CH]3O;c1cc2c(cc1F)cc([nH]2)c3cn4cc(nc4cn3)c5cc[n+](cc5)C6C(C(C(O6)COP(=O)(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N)O)O)O)O","InChI=1S/C34H33FN10O13P2/c35-18-1-2-19-17(7-18)8-20(41-19)22-11-44-10-21(42-25(44)9-37-22)16-3-5-43(6-4-16)33-29(48)27(46)23(56-33)12-54-59(50,51)58-60(52,53)55-13-24-28(47)30(49)34(57-24)45-15-40-26-31(36)38-14-39-32(26)45/h1-11,14-15,23-24,27-30,33-34,41,46-49H,12-13H2,(H3-,36,38,39,50,51,52,53)/p+1/t23-,24-,27-,28-,29-,30-,33-,34-/m1/s1","","2026-02-26","2026-04-17","1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(4S,6P)-6-(5-fluoro-1H-indol-2-yl)imidazo[1,2-a]pyrazin-2-yl]pyridin-1-ium (non-preferred name)","2026-04-22"],["Y86","[(2~{R})-1-[(9~{Z},12~{Z},15~{E})-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxy-propan-2-yl] nonadecanoate","C40 H73 O8 P","O=C(OC(COP(O)(O)=O)COC(=O)CCCCCCC/C=CC/C=CCC=CCC)CCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCC=CCC=CCC)CO[P](O)(O)=O;CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O","InChI=1S/C40H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38H,3-5,7,9-11,13,15-17,19,21-37H2,1-2H3,(H2,43,44,45)/b8-6+,14-12-,20-18-/t38-/m1/s1","","2023-11-27","2024-11-28","(2R)-1-{[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxy}-3-(phosphonooxy)propan-2-yl nonadecanoate","2024-11-27"],["Y87","1-bromanyl-4-fluoranyl-benzene","C6 H4 Br F","Fc1ccc(Br)cc1;c1cc(ccc1F)Br","InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H","","2021-02-10","2021-05-14","1-bromanyl-4-fluoranyl-benzene","2021-05-19"],["L9N","(2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine","C19 H20 N6 S","n1nc(sc1c3ccc2nncc2c3)NCC(N)Cc4ccc(cc4)C;Cc1ccc(C[CH](N)CNc2sc(nn2)c3ccc4[nH]ncc4c3)cc1;Cc1ccc(cc1)CC(CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N","InChI=1S/C19H20N6S/c1-12-2-4-13(5-3-12)8-16(20)11-21-19-25-24-18(26-19)14-6-7-17-15(9-14)10-22-23-17/h2-7,9-10,16H,8,11,20H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1","","2010-04-21","2011-06-04","(2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine",""],["A1C9H","1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name)","C39 H46 F N12 O13 P2","Fc1cc2cc([NH]c2cc1)c1ncc2nc(n(C)c2c1NCCN(C)C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;CN(C)CCNc1c(ncc2nc(n(C)c12)c3cc[n+](cc3)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH](O)[CH]4O)c8[nH]c9ccc(F)cc9c8;Cn1c2c(cnc(c2NCCN(C)C)c3cc4cc(ccc4[nH]3)F)nc1c5cc[n+](cc5)C6C(C(C(O6)COP(=O)(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N)O)O)O)O","InChI=1S/C39H45FN12O13P2/c1-49(2)11-8-42-28-27(23-13-20-12-21(40)4-5-22(20)47-23)43-14-24-30(28)50(3)36(48-24)19-6-9-51(10-7-19)38-33(55)31(53)25(63-38)15-61-66(57,58)65-67(59,60)62-16-26-32(54)34(56)39(64-26)52-18-46-29-35(41)44-17-45-37(29)52/h4-7,9-10,12-14,17-18,25-26,31-34,38-39,53-56H,8,11,15-16H2,1-3H3,(H5,41,42,44,45,48,57,58,59,60)/p+1/t25-,26-,31-,32-,33-,34-,38-,39-/m1/s1","","2026-02-27","2026-04-17","1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name)","2026-04-22"],["Y88","6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile","C20 H20 F3 N5 O","O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1;C[CH](c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1)C(F)(F)F;CC(c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C(F)(F)F","InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m1/s1","","2022-04-01","2023-03-24","6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile","2023-03-29"],["A1C9Q","N,N-dimethyl-2-[(propan-2-yl)amino]pyridine-3-carboxamide","C11 H17 N3 O","CC(C)Nc1ncccc1C(=O)N(C)C;CC(C)Nc1ncccc1C(=O)N(C)C;CC(C)Nc1c(cccn1)C(=O)N(C)C","InChI=1S/C11H17N3O/c1-8(2)13-10-9(6-5-7-12-10)11(15)14(3)4/h5-8H,1-4H3,(H,12,13)","","2026-03-06","2026-03-13","N,N-dimethyl-2-[(propan-2-yl)amino]pyridine-3-carboxamide","2026-03-18"],["L9O","(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide","C14 H18 N2 O","O=C(Nc1cnccc1C)C1CCC21CCC2;Cc1ccncc1NC(=O)[CH]2CCC23CCC3;Cc1ccncc1NC(=O)C2CCC23CCC3","InChI=1S/C14H18N2O/c1-10-4-8-15-9-12(10)16-13(17)11-3-7-14(11)5-2-6-14/h4,8-9,11H,2-3,5-7H2,1H3,(H,16,17)/t11-/m1/s1","","2023-08-15","2023-11-03","(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide","2023-11-08"],["Y89","1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one","C19 H21 Cl N4 O","O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1)c1ccc(Cl)nn1;Clc1ccc(nn1)N2CCN(CC2)C(=O)Cc3ccc(cc3)C4CC4;c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)C4CC4","InChI=1S/C19H21ClN4O/c20-17-7-8-18(22-21-17)23-9-11-24(12-10-23)19(25)13-14-1-3-15(4-2-14)16-5-6-16/h1-4,7-8,16H,5-6,9-13H2","","2022-04-01","2023-03-24","1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one","2023-03-29"],["L9P","Voxilaprevir","C40 H52 F4 N6 O9 S","C63C(C(C(NC1(C(C1)C(F)F)C(=O)NS(C2(CC2)C)(=O)=O)=O)N(C3)C(=O)C(NC(OC7C(CCCCC(c5c(nc4c(ccc(c4)OC)n5)O6)(F)F)C7)=O)C(C)(C)C)CC;CC[CH]1[CH]2C[N]([CH]1C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=O)[CH](NC(=O)O[CH]5C[CH]5CCCCC(F)(F)c6nc7ccc(OC)cc7nc6O2)C(C)(C)C;CCC1C2CN(C1C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)C(NC(=O)OC5CC5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C","InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1","(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide","2019-02-15","2021-03-13","(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide","2019-07-10"],["A1C9U","(1R)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine","C10 H12 N4","CC(N)c1cn(nn1)c1ccccc1;C[CH](N)c1cn(nn1)c2ccccc2;CC(c1cn(nn1)c2ccccc2)N","InChI=1S/C10H12N4/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9/h2-8H,11H2,1H3/t8-/m1/s1","","2026-03-06","2026-03-13","(1R)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine","2026-03-18"],["Y8A","9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline","C20 H19 Cl N2 O","c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl;COc1ccc2n(Cc3ccc(Cl)cc3)c4C(=NCCc4c2c1)C;CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl","InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3","","2019-11-29","2020-02-21","9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline","2020-02-26"],["A1C9V","(8S)-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]pyrazolo[1,5-a]pyrimidine","C16 H14 N4 S","CC(C)c1ccc2nc(sc2c1)c1cnn2cccnc21;CC(C)c1ccc2nc(sc2c1)c3cnn4cccnc34;CC(C)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4","InChI=1S/C16H14N4S/c1-10(2)11-4-5-13-14(8-11)21-16(19-13)12-9-18-20-7-3-6-17-15(12)20/h3-10H,1-2H3","","2026-03-06","2026-03-13","(8S)-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]pyrazolo[1,5-a]pyrimidine","2026-03-18"],["L9Q","(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate","C41 H80 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1","1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine","2010-03-19","2020-06-17","(21S,24S)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (9Z)-octadec-9-enoate",""],["L9R","(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate","C44 H86 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1","1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine","2010-03-19","2021-03-01","(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate",""],["A1C9Y","N-[(1S)-1-cyclopropylethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide","C11 H14 N2 O2","O=C(NC(C)C1CC1)C1=CC=CNC1=O;C[CH](NC(=O)C1=CC=CNC1=O)C2CC2;CC(C1CC1)NC(=O)C2=CC=CNC2=O","InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-8H,4-5H2,1H3,(H,12,14)(H,13,15)/t7-/m0/s1","","2026-03-06","2026-03-13","N-[(1S)-1-cyclopropylethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide","2026-03-18"],["Y8B","2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide","C23 H23 N3 O2 S","Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)cnc3c2;Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc3c(c2)ncn3Cc4ccccc4)C","InChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3","","2023-11-28","2025-06-06","2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide","2025-06-11"],["L9S","N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea","C29 H33 F N8 O2","C4N(C(c1cccc(c1)NC(Nc3c(cccc3N2CCCC2)F)=O)CN(C4)c5ncnc6c5ccn6)CCO;OCCN1CCN(C[CH]1c2cccc(NC(=O)Nc3c(F)cccc3N4CCCC4)c2)c5ncnc6[nH]ccc56;c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)C4CN(CCN4CCO)c5c6cc[nH]c6ncn5","InChI=1S/C29H33FN8O2/c30-23-7-4-8-24(36-11-1-2-12-36)26(23)35-29(40)34-21-6-3-5-20(17-21)25-18-38(14-13-37(25)15-16-39)28-22-9-10-31-27(22)32-19-33-28/h3-10,17,19,25,39H,1-2,11-16,18H2,(H,31,32,33)(H2,34,35,40)/t25-/m0/s1","","2019-02-15","2019-06-07","N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea","2019-06-12"],["Y8C","N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide","C19 H21 Cl N6 O","Clc1cccc(c1)NCC(=O)NC1CCCN(C1)c1ncnc2[NH]ccc12;Clc1cccc(NCC(=O)N[CH]2CCCN(C2)c3ncnc4[nH]ccc34)c1;c1cc(cc(c1)Cl)NCC(=O)NC2CCCN(C2)c3c4cc[nH]c4ncn3","InChI=1S/C19H21ClN6O/c20-13-3-1-4-14(9-13)22-10-17(27)25-15-5-2-8-26(11-15)19-16-6-7-21-18(16)23-12-24-19/h1,3-4,6-7,9,12,15,22H,2,5,8,10-11H2,(H,25,27)(H,21,23,24)/t15-/m1/s1","","2023-01-11","2023-02-24","N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide","2023-03-01"],["A1C9Z","N~2~-cycloheptyl-N,N~2~-dimethylglycinamide","C11 H22 N2 O","CN(CC(=O)NC)C1CCCCCC1;CNC(=O)CN(C)C1CCCCCC1;CNC(=O)CN(C)C1CCCCCC1","InChI=1S/C11H22N2O/c1-12-11(14)9-13(2)10-7-5-3-4-6-8-10/h10H,3-9H2,1-2H3,(H,12,14)","","2026-03-06","2026-03-13","N~2~-cycloheptyl-N,N~2~-dimethylglycinamide","2026-03-18"],["Y8D","1-fluoranyl-4-iodanyl-benzene","C6 H4 F I","Fc1ccc(I)cc1;c1cc(ccc1F)I","InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H","","2021-02-10","2021-05-14","1-fluoranyl-4-iodanyl-benzene","2021-05-19"],["L9T","N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine","C16 H16 N4 O2 S","Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C;Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C","InChI=1S/C16H16N4O2S/c1-10-15(12-6-7-20(2)19-12)23-16(18-10)17-8-11-4-3-5-13-14(11)22-9-21-13/h3-7H,8-9H2,1-2H3,(H,17,18)","","2019-08-01","2021-07-07","~{N}-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine","2019-09-25"],["A1CAA","(3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile","C17 H10 F2 N2 O3 S","CS(=O)(=O)c1ccc(C#N)cc1C1=CC(=O)c2c(cc(F)cc2F)N1;C[S](=O)(=O)c1ccc(cc1C2=CC(=O)c3c(F)cc(F)cc3N2)C#N;CS(=O)(=O)c1ccc(cc1C2=CC(=O)c3c(cc(cc3F)F)N2)C#N","InChI=1S/C17H10F2N2O3S/c1-25(23,24)16-3-2-9(8-20)4-11(16)13-7-15(22)17-12(19)5-10(18)6-14(17)21-13/h2-7H,1H3,(H,21,22)","","2025-04-21","2025-05-09","(3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile","2025-05-14"],["A1CAB","(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid","C5 H7 N O2","O=C(O)C1CCC=N1;OC(=O)[CH]1CCC=N1;C1CC(N=C1)C(=O)O","InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1","","2025-04-21","2025-05-30","(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid","2025-06-04"],["Y8E","(1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide","C21 H23 Cl N4 O4","COCCNC(=O)c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C;COCCNC(=O)c1cccc(c1)c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C;Cc1cc(c(cc1Cl)c2cccc(c2)C(=O)NCCOC)OCC3=NNC(=O)N3C","InChI=1S/C21H23ClN4O4/c1-13-9-18(30-12-19-24-25-21(28)26(19)2)16(11-17(13)22)14-5-4-6-15(10-14)20(27)23-7-8-29-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,27)(H,25,28)","","2023-06-12","2024-12-13","(1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide","2024-12-18"],["L9U","2-bromo-N-[(thiophen-2-yl)methyl]acetamide","C7 H8 Br N O S","O=C(NCc1cccs1)CBr;BrCC(=O)NCc1sccc1;c1cc(sc1)CNC(=O)CBr","InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)","","2022-03-01","2024-09-27","2-bromo-N-[(thiophen-2-yl)methyl]acetamide","2022-12-07"],["L9W","N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","C21 H19 N5 O3 S","C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25;CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5","InChI=1S/C21H19N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-8,12-13H,9-11H2,1H3,(H,22,23)","","2019-08-01","2021-07-07","~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","2019-09-25"],["Y8F","[(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate","C28 H55 O8 P","CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O;CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)O","InChI=1S/C28H55O8P/c1-3-5-7-9-11-13-15-17-19-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m0/s1","","2023-11-27","2024-11-22","[(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate","2024-11-27"],["L9X","L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine","C16 H24 N4 O8 S","CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O;CCN1C(=O)CC(C1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10+/m0/s1","","2010-01-18","2011-06-04","2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid",""],["A1CAF","(1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate","C21 H32 N4 O3","O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C2CC2)C1)C1CCCCC1;C[CH](NC(=O)O[CH]1CC[CH](C1)c2[nH]nc(NC(=O)C3CCCCC3)c2)C4CC4;CC(C1CC1)NC(=O)OC2CCC(C2)c3cc(n[nH]3)NC(=O)C4CCCCC4","InChI=1S/C21H32N4O3/c1-13(14-7-8-14)22-21(27)28-17-10-9-16(11-17)18-12-19(25-24-18)23-20(26)15-5-3-2-4-6-15/h12-17H,2-11H2,1H3,(H,22,27)(H2,23,24,25,26)/t13-,16+,17+/m0/s1","","2025-04-22","2025-04-25","(1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate","2025-04-30"],["Y8G","2-butylthiophene","C8 H12 S","CCCCc1sccc1;CCCCc1cccs1","InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3","","2021-02-10","2021-05-14","2-butylthiophene","2021-05-19"],["Y8H","2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one","C21 H24 Cl2 N6 O","O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCCC(C1)N(C)c1ncnc2[NH]ccc21;CN([CH]1CCCCN(C1)C(=O)CNc2cc(Cl)cc(Cl)c2)c3ncnc4[nH]ccc34;CN(c1c2cc[nH]c2ncn1)C3CCCCN(C3)C(=O)CNc4cc(cc(c4)Cl)Cl","InChI=1S/C21H24Cl2N6O/c1-28(21-18-5-6-24-20(18)26-13-27-21)17-4-2-3-7-29(12-17)19(30)11-25-16-9-14(22)8-15(23)10-16/h5-6,8-10,13,17,25H,2-4,7,11-12H2,1H3,(H,24,26,27)/t17-/m1/s1","","2023-01-11","2023-02-24","2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one","2023-03-01"],["L9Y","4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid","C22 H28 Cl2 O4","CCCCC1(C(c2c(C1)cc(c(c2Cl)Cl)OCCCC(=O)O)=O)C3CCCC3;CCCC[C]1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3;CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3","InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)/t22-/m0/s1","","2019-02-15","2019-02-22","4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid","2019-02-27"],["A1CAO","(5M)-5-(3-amino-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid","C15 H13 N3 O5 S","O=S(=O)(O)c1cc(ccc1Oc1ccccc1)N1N=C(N)CC1=O;NC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)[S](O)(=O)=O;c1ccc(cc1)Oc2ccc(cc2S(=O)(=O)O)N3C(=O)CC(=N3)N","InChI=1S/C15H13N3O5S/c16-14-9-15(19)18(17-14)10-6-7-12(13(8-10)24(20,21)22)23-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,17)(H,20,21,22)","","2025-04-24","2026-01-02","(5M)-5-(3-amino-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid","2026-01-07"],["Y8I","2,4-bis(bromanyl)phenol","C6 H4 Br2 O","Oc1ccc(Br)cc1Br;c1cc(c(cc1Br)Br)O","InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H","","2016-10-31","2017-07-07","2,4-bis(bromanyl)phenol","2017-07-12"],["L9Z","(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid","C8 H15 N O5","NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O;C1C(CC(C(C1O)O)(CN)O)C(=O)O","InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1","","2019-08-01","2024-09-27","(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","2020-04-15"],["A1CAU","(E)-5-(3-(4-nitrophenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione","C13 H9 N3 O5","O=C1NC(=O)NC(=O)C1=CC=C/c1ccc(cc1)[N+]([O-])=O;[O-][N+](=O)c1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1;c1cc(ccc1C=CC=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]","InChI=1S/C13H9N3O5/c17-11-10(12(18)15-13(19)14-11)3-1-2-8-4-6-9(7-5-8)16(20)21/h1-7H,(H2,14,15,17,18,19)/b2-1-","","2025-04-25","2026-05-01","5-[(2Z)-3-(4-nitrophenyl)prop-2-en-1-ylidene]-1,3-diazinane-2,4,6-trione","2026-05-06"],["Y8J","3-butylpyridine","C9 H13 N","CCCCc1cccnc1;CCCCc1cccnc1","InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3","","2021-02-10","2021-08-20","3-butylpyridine","2021-08-25"],["LA","LANTHANUM (III) ION","La","[La+3];[La+3];[La+3]","InChI=1S/La/q+3","","1999-07-08","2011-06-04","lanthanum",""],["LA1","(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE","C33 H36 N4 O3","O=C(NC)C(N1C(=O)C(N(C(=O)CC1)Cc2cc3ccccc3nc2)CC(C)C)Cc5cc4ccccc4cc5;CNC(=O)[CH](Cc1ccc2ccccc2c1)N3CCC(=O)N(Cc4cnc5ccccc5c4)[CH](CC(C)C)C3=O;CC(C)CC1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)C(Cc4ccc5ccccc5c4)C(=O)NC","InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1","(S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE","2004-11-01","2021-03-13","(2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide",""],["Y8K","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C23 H24 F3 N3 O6 S","NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1;C[C]12CN(C[CH]1CN(C2)C(=O)c3ccc(cc3)[S](N)(=O)=O)C(=O)OCc4ccc(OC(F)(F)F)cc4;CC12CN(CC1CN(C2)C(=O)OCc3ccc(cc3)OC(F)(F)F)C(=O)c4ccc(cc4)S(=O)(=O)N","InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m1/s1","","2023-06-12","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1CAV","(3S)-3-(6-oxo-6,8-dihydro-2H,7H-spiro[furo[2,3-e]isoindole-3,4'-piperidin]-7-yl)piperidine-2,6-dione","C19 H21 N3 O4","O=C1NC(=O)CCC1N1Cc2c3OCC4(CCNCC4)c3ccc2C1=O;O=C1CC[CH](N2Cc3c4OCC5(CCNCC5)c4ccc3C2=O)C(=O)N1;c1cc2c(c3c1C(=O)N(C3)C4CCC(=O)NC4=O)OCC25CCNCC5","InChI=1S/C19H21N3O4/c23-15-4-3-14(17(24)21-15)22-9-12-11(18(22)25)1-2-13-16(12)26-10-19(13)5-7-20-8-6-19/h1-2,14,20H,3-10H2,(H,21,23,24)/t14-/m0/s1","","2025-04-28","2025-05-23","(3S)-3-(6-oxo-6,8-dihydro-2H,7H-spiro[furo[2,3-e]isoindole-3,4'-piperidin]-7-yl)piperidine-2,6-dione","2025-05-28"],["Y8L","3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE","C19 H22 N6 O S","O=C4SC(c3nc(/N=C2C=CC(N1CCNCC1)=CC2)ncc3)=C(N4C)C;CN1C(=O)SC(=C1C)c2ccnc(N=C3CC=C(C=C3)N4CCNCC4)n2;CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4","InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3,5-8,20H,4,9-12H2,1-2H3/b22-14+","","2010-08-01","2011-06-04","3,4-dimethyl-5-(2-{[(1Z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3H)-one",""],["LA2","N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine","C14 H28 N2 O3 S2","O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS;N[CH](CCCCNC(=O)CCCC[CH](S)CCS)C(O)=O;C(CCC(=O)NCCCCC(C(=O)O)N)CC(CCS)S","InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1","lipoyllysine","2008-04-16","2024-09-27","N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine",""],["Y8M","4-(3-phenylpropyl)aniline","C15 H17 N","Nc1ccc(CCCc2ccccc2)cc1;c1ccc(cc1)CCCc2ccc(cc2)N","InChI=1S/C15H17N/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8,16H2","","2021-02-10","2021-05-14","4-(3-phenylpropyl)aniline","2021-05-19"],["LA3","(2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide","C27 H26 N2 O6","ONC(=O)C[CH](Cc1ccc(cc1)c2ccc3OCOc3c2)C(=O)N[CH]4[CH](O)Cc5ccccc45;c1ccc2c(c1)CC(C2NC(=O)C(Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O","InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1","(R)-2-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-N4-hydroxy-N1-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl) succinamide","2010-01-28","2021-03-13","(2R)-2-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-N'-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide",""],["A1CAZ","2,3-diacetamido-4-O-acetyl-2,3-dideoxy-beta-D-mannopyranuronic acid","C12 H18 N2 O8","OC1OC(C(OC(C)=O)C(NC(C)=O)C1NC(C)=O)C(=O)O;CC(=O)N[CH]1[CH](O)O[CH]([CH](OC(C)=O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(OC(C1OC(=O)C)C(=O)O)O)NC(=O)C","InChI=1S/C12H18N2O8/c1-4(15)13-7-8(14-5(2)16)12(20)22-10(11(18)19)9(7)21-6(3)17/h7-10,12,20H,1-3H3,(H,13,15)(H,14,16)(H,18,19)/t7-,8+,9+,10+,12-/m1/s1","","2025-04-29","2025-12-12","2,3-diacetamido-4-O-acetyl-2,3-dideoxy-beta-D-mannopyranuronic acid","2025-12-17"],["Y8N","BBO-8520 (bound form)","C35 H35 F6 N7 O2 S","CCC(=O)N1CC(C)N(CC1C)c1nc(OCC23CCCN3CC(F)C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c2F)C(F)(F)F;CCC(=O)N1C[CH](C)N(C[CH]1C)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(c6ccc(F)c7sc(N)c(C#N)c67)c(cc25)C(F)(F)F;CCC(=O)N1CC(N(CC1C)c2c3cc(c(c(c3nc(n2)OCC45CCCN4CC(C5)F)F)c6ccc(c7c6c(c(s7)N)C#N)F)C(F)(F)F)C","InChI=1S/C35H35F6N7O2S/c1-4-25(49)47-13-18(3)48(14-17(47)2)32-21-10-23(35(39,40)41)27(20-6-7-24(37)30-26(20)22(12-42)31(43)51-30)28(38)29(21)44-33(45-32)50-16-34-8-5-9-46(34)15-19(36)11-34/h6-7,10,17-19H,4-5,8-9,11,13-16,43H2,1-3H3/t17-,18+,19-,34+/m1/s1","(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile","2023-11-28","2024-12-13","(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile","2024-12-18"],["LA4","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","C24 H42 O21","C1(C(C(O)C(OC1OC2C(C(OC(C2O)CO)OC3C(C(OC(C3O)CO)OC4C(C(OC(C4O)CO)O)O)O)O)CO)O)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH](O[CH]4[CH](O)[CH](O)O[CH](CO)[CH]4O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O","InChI=1S/C24H42O21/c25-1-5-9(29)13(33)14(34)22(40-5)44-19-11(31)7(3-27)42-24(16(19)36)45-20-12(32)8(4-28)41-23(17(20)37)43-18-10(30)6(2-26)39-21(38)15(18)35/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18+,19+,20+,21-,22+,23+,24+/m1/s1","","2014-07-14","2015-03-25","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","2015-03-18"],["Y8O","(1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C24 H37 F2 N5 O4","CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCCNC3=O)C=N)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)F)C(=O)NC(CC3CCCNC3=O)C=N)C","InChI=1S/C24H37F2N5O4/c1-23(2,3)17(30-21(34)18(25)26)22(35)31-11-14-15(24(14,4)5)16(31)20(33)29-13(10-27)9-12-7-6-8-28-19(12)32/h10,12-18,27H,6-9,11H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)/b27-10-/t12-,13-,14-,15-,16-,17+/m0/s1","","2023-01-12","2024-09-27","(1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-12-06"],["LA5","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","C30 H52 O26","C1(C(C(C(C(O1)CO)O)O)O)OC5C(C(OC(OC2C(C(OC(C2O)OC4C(C(OC(OC3C(C(OC(O)C3O)CO)O)C4O)CO)O)CO)O)C5O)CO)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH](O[CH]4[CH](O)[CH](CO)O[CH](O[CH]5[CH](O)[CH](O)O[CH](CO)[CH]5O)[CH]4O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O","InChI=1S/C30H52O26/c31-1-6-11(36)16(41)17(42)27(49-6)54-23-13(38)8(3-33)51-29(19(23)44)56-25-15(40)10(5-35)52-30(21(25)46)55-24-14(39)9(4-34)50-28(20(24)45)53-22-12(37)7(2-32)48-26(47)18(22)43/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27+,28+,29+,30+/m1/s1","","2014-07-17","2015-03-25","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","2015-03-18"],["Y8P","(3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid","C16 H25 N2 O7 P","Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O;C[CH]1CC[CH](C[CH]1NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CC(CCC2C)C(=O)O)O","InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11?,14+/m0/s1","","2021-02-10","2024-09-27","(1R,3R,4S)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid","2021-08-25"],["LA6","(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate","C10 H19 F O7 P2","O=P(O)(O)OP(=O)(OCC(/F)=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C","InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9+","","2013-06-27","2013-07-26","(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate","2013-07-31"],["Y8Q","(3R)-3-{2-[2-methoxy-6-({methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amino}methyl)phenoxy]acetamido}-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide","C27 H31 F3 N4 O4 S","Cc1csc(CN(C)Cc2cccc(OC)c2OCC(=O)NC(CC(=O)NC)c2cccc(c2)C(F)(F)F)n1;CNC(=O)C[CH](NC(=O)COc1c(CN(C)Cc2scc(C)n2)cccc1OC)c3cccc(c3)C(F)(F)F;Cc1csc(n1)CN(C)Cc2cccc(c2OCC(=O)NC(CC(=O)NC)c3cccc(c3)C(F)(F)F)OC","InChI=1S/C27H31F3N4O4S/c1-17-16-39-25(32-17)14-34(3)13-19-8-6-10-22(37-4)26(19)38-15-24(36)33-21(12-23(35)31-2)18-7-5-9-20(11-18)27(28,29)30/h5-11,16,21H,12-15H2,1-4H3,(H,31,35)(H,33,36)","","2023-06-12","2024-12-13","(3R)-3-{2-[2-methoxy-6-({methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amino}methyl)phenoxy]acetamido}-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide","2024-12-18"],["LA7","2-(hydroxymethyl)-6-methylpyridin-3-ol","C7 H9 N O2","Oc1ccc(nc1CO)C;Cc1ccc(O)c(CO)n1;Cc1ccc(c(n1)CO)O","InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3","","2014-03-21","2014-03-28","2-(hydroxymethyl)-6-methylpyridin-3-ol","2014-04-02"],["A1CBI","1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone","C10 H10 N2 O3","[O-][N+](=O)c1cc2CCN(c2cc1)C(C)=O;CC(=O)N1CCc2cc(ccc12)[N+]([O-])=O;CC(=O)N1CCc2c1ccc(c2)[N+](=O)[O-]","InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3","","2025-05-07","2025-07-04","1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one","2025-07-09"],["LA8","L-ADENOSINE-5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1","L-ADP","2011-03-08","2020-06-17","9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine",""],["Y8R","2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one","C8 H10 O3","CC(=O)C1=C(O)CCCC1=O;CC(=O)C1=C(CCCC1=O)O","InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h10H,2-4H2,1H3","","2023-11-27","2024-09-27","2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one","2024-10-02"],["Y8S","(1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H39 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CC=CC(C3)C2","InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1","","2021-02-10","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["A1CBJ","1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine","C13 H21 N3","CC(C)N1CCN(Cc2ccccn2)CC1;CC(C)N1CCN(CC1)Cc2ccccn2;CC(C)N1CCN(CC1)Cc2ccccn2","InChI=1S/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3-6,12H,7-11H2,1-2H3","","2025-05-07","2025-07-04","1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine","2025-07-09"],["LA9","(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid","C21 H33 N2 O6 P","O=C(NC(C(=O)NC(C)P(=O)(O)CC(C(=O)O)CCc1ccccc1)CC(C)C)C;CC(C)C[CH](NC(C)=O)C(=O)N[CH](C)[P](O)(=O)C[CH](CCc1ccccc1)C(O)=O;CC(C)CC(C(=O)NC(C)P(=O)(CC(CCc1ccccc1)C(=O)O)O)NC(=O)C","InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1","Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH","2014-12-17","2021-03-01","(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid","2016-01-20"],["Y8U","tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate","C23 H23 Cl F N3 O4","Clc1ccc(c(F)c1)c1ccc2NC(=O)C3CN(CCN3C(=O)c2c1)C(=O)OC(C)(C)C;CC(C)(C)OC(=O)N1CCN2[CH](C1)C(=O)Nc3ccc(cc3C2=O)c4ccc(Cl)cc4F;CC(C)(C)OC(=O)N1CCN2C(C1)C(=O)Nc3ccc(cc3C2=O)c4ccc(cc4F)Cl","InChI=1S/C23H23ClFN3O4/c1-23(2,3)32-22(31)27-8-9-28-19(12-27)20(29)26-18-7-4-13(10-16(18)21(28)30)15-6-5-14(24)11-17(15)25/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,26,29)/t19-/m1/s1","","2023-06-12","2024-12-13","tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate","2024-12-18"],["LAA","(3R)-3-hydroxy-L-alpha-asparagine","C4 H8 N2 O4","O=C(N)C(N)C(O)C(=O)O;N[CH]([CH](O)C(O)=O)C(N)=O;C(C(C(=O)O)O)(C(=O)N)N","InChI=1S/C4H8N2O4/c5-1(3(6)8)2(7)4(9)10/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m0/s1","","2008-03-26","2017-08-09","(3R)-3-hydroxy-L-alpha-asparagine",""],["Y8V","(1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H39 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CC=CC(C3)C2","InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1","","2021-02-10","2024-09-27","(1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["LAB","LATRUNCULIN B","C20 H29 N O5 S","O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CCCC(=C3)C)C;C[CH]1CC[CH]2C[CH](C[C](O)(O2)[CH]3CSC(=O)N3)OC(=O)C=C(C)CCC=C1;CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=C1)C","InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1","","2007-06-20","2011-06-04","(4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one",""],["A1CBY","(3M)-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(3H,8H)-dione","C18 H10 F3 N3 O2","FC(F)(F)C=1C=C2C(CC=1)=NC(=O)N(c1cncc3ccccc31)C2=O;FC(F)(F)C1=CCC2=NC(=O)N(C(=O)C2=C1)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3C(=O)C4=CC(=CCC4=NC3=O)C(F)(F)F","InChI=1S/C18H10F3N3O2/c19-18(20,21)11-5-6-14-13(7-11)16(25)24(17(26)23-14)15-9-22-8-10-3-1-2-4-12(10)15/h1-5,7-9H,6H2","","2025-05-09","2026-02-13","(3M)-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(3H,8H)-dione","2026-02-18"],["LAC","LACTIC ACID","C3 H6 O3","O=C(O)C(O)C;C[CH](O)C(O)=O;CC(C(=O)O)O","InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1","","1999-07-08","2024-09-27","(2R)-2-hydroxypropanoic acid",""],["Y8W","3,5-dideoxy-5-propanamido-D-glycero-D-galacto-non-2-ulosonic acid","C12 H21 N O9","OC(C(NC(=O)CC)C(O)CC(=O)C(=O)O)C(O)C(O)CO;CCC(=O)N[CH]([CH](O)CC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CCC(=O)NC(C(CC(=O)C(=O)O)O)C(C(C(CO)O)O)O","InChI=1S/C12H21NO9/c1-2-8(18)13-9(5(15)3-6(16)12(21)22)11(20)10(19)7(17)4-14/h5,7,9-11,14-15,17,19-20H,2-4H2,1H3,(H,13,18)(H,21,22)/t5-,7+,9+,10+,11+/m0/s1","","2023-11-28","2026-03-13","3,5-dideoxy-5-propanamido-D-glycero-D-galacto-non-2-ulosonic acid","2026-03-18"],["A1CBZ","(6R,13R,14S)-1-(difluoromethoxy)-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one","C24 H20 F2 N6 O3","CC(C)(O)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2c(OC(F)F)cccc2C4=O)cc1;CC(C)(O)c1ncc(cn1)c2ccc3nc4C[N]5C[CH](n4c3n2)c6c(OC(F)F)cccc6C5=O;CC(C)(c1ncc(cn1)c2ccc3c(n2)n4c(n3)CN5CC4c6c(cccc6OC(F)F)C5=O)O","InChI=1S/C24H20F2N6O3/c1-24(2,34)22-27-8-12(9-28-22)14-6-7-15-20(30-14)32-16-10-31(11-18(32)29-15)21(33)13-4-3-5-17(19(13)16)35-23(25)26/h3-9,16,23,34H,10-11H2,1-2H3/t16-/m1/s1","","2025-05-09","2025-07-18","(6R,13R,14S)-1-(difluoromethoxy)-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one","2025-07-23"],["Y8X","(2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one","C15 H13 Cl N2 O","Cc1cccc(c1)C1Nc2cccc(Cl)c2C(=O)N1;Cc1cccc(c1)[CH]2NC(=O)c3c(Cl)cccc3N2;Cc1cccc(c1)C2Nc3cccc(c3C(=O)N2)Cl","InChI=1S/C15H13ClN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)/t14-/m0/s1","","2023-01-12","2024-01-19","(2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one","2024-01-24"],["LAD","ADENOSINE-5'-[LYSYL-PHOSPHATE]","C16 H26 N7 O8 P","O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN;NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CCCCN)N)O)O)N","InChI=1S/C16H26N7O8P/c17-4-2-1-3-8(18)16(26)31-32(27,28)29-5-9-11(24)12(25)15(30-9)23-7-22-10-13(19)20-6-21-14(10)23/h6-9,11-12,15,24-25H,1-5,17-18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1","","2000-05-11","2011-06-04","5'-O-[(R)-{[(2S)-2,6-diaminohexanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["Y8Y","(1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H41 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCCC(C3)C2","InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1","","2021-02-10","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["LAE","3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE","C12 H19 N O4","O=C1OCCC1NC(=O)CC(=O)CCCCC;CCCCCC(=O)CC(=O)N[CH]1CCOC1=O;CCCCCC(=O)CC(=O)NC1CCOC1=O","InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1","N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE","2002-03-07","2020-06-17","3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide",""],["A1CC5","2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide","C25 H21 N3 O","Cc1cc(ccn1)c1ccc(CC(=O)Nc2ccc(cc2)c2cccnc2)cc1;Cc1cc(ccn1)c2ccc(CC(=O)Nc3ccc(cc3)c4cccnc4)cc2;Cc1cc(ccn1)c2ccc(cc2)CC(=O)Nc3ccc(cc3)c4cccnc4","InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)","","2025-05-16","2025-12-05","2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide","2025-12-10"],["Y8Z","N-[(1R,3R)-3-{(2S)-2-benzyl-4-[2-(methylamino)-2-oxoethyl]-3-oxopiperazine-1-carbonyl}cyclopentyl]-4-chloro-3-(trifluoromethyl)benzamide","C28 H30 Cl F3 N4 O4","O=C(C1CCC(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1)N1CCN(CC(=O)NC)C(=O)C1Cc1ccccc1;CNC(=O)CN1CCN([CH](Cc2ccccc2)C1=O)C(=O)[CH]3CC[CH](C3)NC(=O)c4ccc(Cl)c(c4)C(F)(F)F;CNC(=O)CN1CCN(C(C1=O)Cc2ccccc2)C(=O)C3CCC(C3)NC(=O)c4ccc(c(c4)C(F)(F)F)Cl","InChI=1S/C28H30ClF3N4O4/c1-33-24(37)16-35-11-12-36(23(27(35)40)13-17-5-3-2-4-6-17)26(39)19-7-9-20(14-19)34-25(38)18-8-10-22(29)21(15-18)28(30,31)32/h2-6,8,10,15,19-20,23H,7,9,11-14,16H2,1H3,(H,33,37)(H,34,38)/t19-,20-,23?/m1/s1","","2023-06-12","2024-12-13","N-[(1R,3R)-3-{(2S)-2-benzyl-4-[2-(methylamino)-2-oxoethyl]-3-oxopiperazine-1-carbonyl}cyclopentyl]-4-chloro-3-(trifluoromethyl)benzamide","2024-12-18"],["LAF","5-FLUOROLEVULINIC ACID","C5 H7 F O3","FCC(=O)CCC(=O)O;OC(=O)CCC(=O)CF;C(CC(=O)O)C(=O)CF","InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)","","2002-05-21","2024-09-27","5-fluoro-4-oxopentanoic acid",""],["A1CC9","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate","C18 H26 N4 O23 P4","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O","InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8?,11-,12?,13-,14?,15-,16?/m1/s1","","2025-05-19","2025-08-29","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate","2025-09-03"],["LAG","MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME","C18 H32 N2 O15","O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O;C(C1C(C(C(C(=NO)N1)O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1","MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM","2004-08-05","2020-07-23","(2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside",""],["A1CCA","(4R)-1-[(3-methylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one","C17 H15 F3 N2 O","Fc1cc(cc(F)c1F)C1CC(=O)N(Cc2ccncc2C)C1;Cc1cnccc1CN2C[CH](CC2=O)c3cc(F)c(F)c(F)c3;Cc1cnccc1CN2CC(CC2=O)c3cc(c(c(c3)F)F)F","InChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1","","2025-05-12","2025-09-05","(4R)-1-[(3-methylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one","2025-09-10"],["Y90","6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile","C20 H20 F N5 O","O=C(Cc1ccc(cc1F)C1CC1)N1CCN(CC1)c1ccc(C#N)nn1;Fc1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4;c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4ccc(nn4)C#N","InChI=1S/C20H20FN5O/c21-18-11-15(14-1-2-14)3-4-16(18)12-20(27)26-9-7-25(8-10-26)19-6-5-17(13-22)23-24-19/h3-6,11,14H,1-2,7-10,12H2","","2022-04-01","2023-03-24","6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile","2023-03-29"],["A1CCE","(4S,8aR)-7-{5-[(6R,13R,14S)-5,14-dihydro-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl}hexahydroimidazo[1,5-a]pyrazin-3(2H)-one","C26 H25 N9 O","O=C1NCC2CN(CCN12)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2ccccc2C4)cc1;O=C1NC[CH]2CN(CCN12)c3ncc(cn3)c4ccc5nc6C[N]7C[CH](n6c5n4)c8ccccc8C7;c1ccc2c(c1)CN3Cc4nc5ccc(nc5n4C2C3)c6cnc(nc6)N7CCN8C(C7)CNC8=O","InChI=1S/C26H25N9O/c36-26-29-11-18-13-33(7-8-34(18)26)25-27-9-17(10-28-25)20-5-6-21-24(31-20)35-22-14-32(15-23(35)30-21)12-16-3-1-2-4-19(16)22/h1-6,9-10,18,22H,7-8,11-15H2,(H,29,36)/t18-,22-/m1/s1","","2025-05-12","2025-07-18","(4S,8aR)-7-{5-[(6R,13R,14S)-5,14-dihydro-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl}hexahydroimidazo[1,5-a]pyrazin-3(2H)-one","2025-07-23"],["Y91","(1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H41 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCCC(C3)C2","InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1","","2021-02-10","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","2021-02-17"],["LAH","2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose","C8 H17 O8 P","O=P(OC1C(O)C(O)COC1O)(OC(C)C)O;CC(C)O[P](O)(=O)O[CH]1[CH](O)OC[CH](O)[CH]1O;CC(C)OP(=O)(O)OC1C(C(COC1O)O)O","InChI=1S/C8H17O8P/c1-4(2)15-17(12,13)16-7-6(10)5(9)3-14-8(7)11/h4-11H,3H2,1-2H3,(H,12,13)/t5-,6-,7+,8+/m0/s1","2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose;\n2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-L-arabinose; 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-arabinose","2014-03-11","2020-07-17","2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose","2015-08-19"],["A1CCQ","(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoic acid","C9 H12 N2 O3","Oc1ccc(CC(NN)C(=O)O)cc1;NN[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)NN)O","InChI=1S/C9H12N2O3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,11-12H,5,10H2,(H,13,14)/t8-/m0/s1","","2025-05-14","2025-11-28","(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoic acid","2025-12-03"],["Y92","1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one","C19 H20 Cl F N4 O","O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn1;Fc1cc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)ccc1C4CC4;c1cc(c(cc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)F)C4CC4","InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2","","2022-04-01","2023-03-24","1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one","2023-03-29"],["LAI","L-arabinose","C5 H10 O5","OCC(C(C(C=O)O)O)O;OC[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1","","2010-01-27","2020-06-24","L-arabinose",""],["Y93","1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one","C20 H23 Cl N4 O","O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1C)c1ccc(Cl)nn1;C[CH]1CN(CCN1C(=O)Cc2ccc(cc2)C3CC3)c4ccc(Cl)nn4;CC1CN(CCN1C(=O)Cc2ccc(cc2)C3CC3)c4ccc(nn4)Cl","InChI=1S/C20H23ClN4O/c1-14-13-24(19-9-8-18(21)22-23-19)10-11-25(14)20(26)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-9,14,17H,6-7,10-13H2,1H3/t14-/m1/s1","","2022-04-01","2023-03-24","1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one","2023-03-29"],["LAJ","N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide","C18 H18 N6 O3 S","c3(Nc1nnc(c(c1)Nc2c(cccc2)S(C)(=O)=O)C(NC)=O)ccccn3;CNC(=O)c1nnc(Nc2ccccn2)cc1Nc3ccccc3[S](C)(=O)=O;CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C","InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)","","2019-02-15","2019-07-26","N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide","2019-07-31"],["A1CCU","GDP-2-deoxy-2-fluoro-beta-L-fucose","C16 H24 F N5 O14 P2","NC1=Nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)C(O)C(O)C3F)C(O)C2O)C(=O)N1;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](F)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)F)O)O","InChI=1S/C16H24FN5O14P2/c1-4-8(23)10(25)6(17)15(33-4)35-38(30,31)36-37(28,29)32-2-5-9(24)11(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5+,6-,8+,9+,10-,11+,14+,15+/m0/s1","","2025-05-14","2025-10-24","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl dihydrogen diphosphate (non-preferred name)","2025-10-29"],["Y94","2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide","C24 H25 N3 O2","O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NCC=C;C[CH](NC(=O)c1cc(NC(=O)NCC=C)ccc1C)c2cccc3ccccc23;Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)NCC=C","InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1","","2020-11-10","2020-11-13","2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide","2020-11-18"],["LAK","BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE","C12 H22 O11","O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12-/m1/s1","ALLOLACTOSE","2001-10-02","2020-07-17","6-O-beta-D-galactopyranosyl-beta-D-glucopyranose",""],["Y95","5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","C22 H22 N4 O3","O=C(NC(Nc1ccc(c(c1)C(NC(C)c2cccc3c2cccc3)=O)C)=O)N;C[CH](NC(=O)c1cc(NC(=O)NC(N)=O)ccc1C)c2cccc3ccccc23;Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)NC(=O)N","InChI=1S/C22H22N4O3/c1-13-10-11-16(25-22(29)26-21(23)28)12-19(13)20(27)24-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,1-2H3,(H,24,27)(H4,23,25,26,28,29)/t14-/m1/s1","","2020-07-24","2020-07-31","5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","2020-08-05"],["A1CCV","6-deoxy-alpha-D-talopyranose","C6 H12 O5","OC1C(O)C(C)OC(O)C1O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5+,6+/m1/s1","","2025-05-14","2025-10-24","6-deoxy-alpha-D-talopyranose","2025-10-29"],["LAL","N,N-DIMETHYL-L-ALANINE","C5 H11 N O2","O=C(O)C(N(C)C)C;C[CH](N(C)C)C(O)=O;CC(C(=O)O)N(C)C","InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1","","2003-10-01","2024-09-27","N,N-dimethyl-L-alanine",""],["A1CCY","1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one","C27 H29 F3 N2 O","CC(C)(C)c1ccc(cc1)C(NC1Cc2ccccc2C1)CN1C=CC=C(C1=O)C(F)(F)F;CC(C)(C)c1ccc(cc1)[CH](CN2C=CC=C(C2=O)C(F)(F)F)NC3Cc4ccccc4C3;CC(C)(C)c1ccc(cc1)C(CN2C=CC=C(C2=O)C(F)(F)F)NC3Cc4ccccc4C3","InChI=1S/C27H29F3N2O/c1-26(2,3)21-12-10-18(11-13-21)24(31-22-15-19-7-4-5-8-20(19)16-22)17-32-14-6-9-23(25(32)33)27(28,29)30/h4-14,22,24,31H,15-17H2,1-3H3/t24-/m0/s1","","2025-05-15","2025-10-03","1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one","2025-10-08"],["Y96","5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","C21 H20 N2 O2","O=C(c1c(ccc(C=NO)c1)C)NC(C)c2cccc3c2cccc3;C[CH](NC(=O)c1cc(ccc1C)C=NO)c2cccc3ccccc23;Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)C=NO","InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1","","2020-11-10","2020-11-13","5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","2020-11-18"],["LAM","4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE","C24 H35 N O17 S","[O-][N+](=O)c4ccc(OC3OC(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)C1O)CO)C2O)C3O)cc4;OCC1OC(Oc2ccc(cc2)[N+]([O-])=O)C(O)C(O[CH]3O[CH](CO)[CH](O)[CH](S[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH]3O)C1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)SC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1","4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE","2001-06-04","2021-03-01","4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranoside",""],["Y97","5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide","C28 H34 N4 O2 S","C[CH](NC(=O)c1cc(NC2CNC2)ccc1C)c3cccc(c3)c4sc(CN[CH]5CCOC5)cc4;Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CNC4CCOC4)NC5CNC5","InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23-/m1/s1","","2021-02-11","2021-02-19","5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide","2021-02-24"],["LAN","LANOSTEROL","C30 H50 O","OC4C(C3CCC1=C(CCC2(C(C(C)CCC=C(/C)C)CCC12C)C)C3(C)CC4)(C)C;C[CH](CCC=C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3;CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C","InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1","","2004-08-18","2011-06-04","(3beta)-lanosta-8,24-dien-3-ol",""],["A1CCZ","1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one","C27 H29 F3 N2 O","CC(C)(C)c1ccc(cc1)C(NC1Cc2ccccc2C1)CN1C=CC=C(C1=O)C(F)(F)F;CC(C)(C)c1ccc(cc1)[CH](CN2C=CC=C(C2=O)C(F)(F)F)NC3Cc4ccccc4C3;CC(C)(C)c1ccc(cc1)C(CN2C=CC=C(C2=O)C(F)(F)F)NC3Cc4ccccc4C3","InChI=1S/C27H29F3N2O/c1-26(2,3)21-12-10-18(11-13-21)24(31-22-15-19-7-4-5-8-20(19)16-22)17-32-14-6-9-23(25(32)33)27(28,29)30/h4-14,22,24,31H,15-17H2,1-3H3/t24-/m1/s1","","2025-05-15","2025-10-03","1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one","2025-10-08"],["LAO","2-O-phosphono-alpha-L-arabinopyranose","C5 H11 O8 P","O=P(OC1C(O)C(O)COC1O)(O)O;O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O;C1C(C(C(C(O1)O)OP(=O)(O)O)O)O","InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1","2-O-phosphono-alpha-L-arabinose; 2-O-phosphono-L-arabinose; 2-O-phosphono-arabinose","2014-02-27","2023-01-10","2-O-phosphono-alpha-L-arabinopyranose","2015-08-19"],["Y98","5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C9 H17 N O8","OC(=O)C1(O)CC(O)C(N)C(O1)C(O)C(O)CO;N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)N)O","InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1","","2023-11-28","2026-03-13","5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","2026-03-18"],["Y99","6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile","C20 H20 F3 N5 O","O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1;C[CH](c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1)C(F)(F)F;CC(c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C(F)(F)F","InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m0/s1","","2022-04-11","2023-03-24","6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile","2023-03-29"],["LAP","[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM","C20 H43 N O7 P","O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1","L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL","2002-09-02","2020-06-17","4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide",""],["Y9A","~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine","C16 H17 N5 O","Cc1ccc(COc2cccc(CNc3[nH]nnn3)c2)cc1;Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3","InChI=1S/C16H17N5O/c1-12-5-7-13(8-6-12)11-22-15-4-2-3-14(9-15)10-17-16-18-20-21-19-16/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21)","","2021-02-11","2021-02-19","~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine","2021-02-24"],["A1CDE","N-[(2S)-2-(1,3-oxazol-2-yl)-2-phenylethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[3,2-e][1,2,4]thiadiazine-3-carboxamide","C17 H14 N4 O4 S2","O=C(NCC(c1ccccc1)c1ncco1)C1=Nc2ccsc2S(=O)(=O)N1;O=C(NC[CH](c1occn1)c2ccccc2)C3=Nc4ccsc4[S](=O)(=O)N3;c1ccc(cc1)C(CNC(=O)C2=Nc3ccsc3S(=O)(=O)N2)c4ncco4","InChI=1S/C17H14N4O4S2/c22-15(14-20-13-6-9-26-17(13)27(23,24)21-14)19-10-12(16-18-7-8-25-16)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,19,22)(H,20,21)/t12-/m1/s1","","2025-05-21","2026-02-06","N-[(2S)-2-(1,3-oxazol-2-yl)-2-phenylethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[3,2-e][1,2,4]thiadiazine-3-carboxamide","2026-02-11"],["LAQ","5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE","C18 H26 N5 O8 P S2","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCC[CH]4CCSS4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CCCCC4CCSS4)O)O)N","InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1","LIPOYL-AMP","2006-12-27","2021-03-01","5'-O-[(R)-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine",""],["Y9B","4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide","C15 H7 F4 N3 O2 S","Oc1nsnc1C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3;c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F","InChI=1S/C15H7F4N3O2S/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)","","2017-01-16","2017-03-03","4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide","2017-03-08"],["LAR","LATRUNCULIN A","C22 H31 N O5 S","O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CC=CCCC(=C3)C)C;C[CH]1CC[CH]2C[CH](C[C](O)(O2)[CH]3CSC(=O)N3)OC(=O)C=C(C)CCC=CC=C1;CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=CC=C1)C","InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1","4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE","2000-04-13","2021-03-13","(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one",""],["A1CDQ","(3R,4S)-4-phenoxypyrrolidin-3-ol","C10 H13 N O2","OC1CNCC1Oc1ccccc1;O[CH]1CNC[CH]1Oc2ccccc2;c1ccc(cc1)OC2CNCC2O","InChI=1S/C10H13NO2/c12-9-6-11-7-10(9)13-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m1/s1","","2025-05-21","2025-10-31","(3R,4S)-4-phenoxypyrrolidin-3-ol","2025-11-05"],["Y9C","(2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","C25 H22 F3 N5 O3","FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(C=CC(=O)N2C[CH]3[CH](C2)[CH]4CN(C[CH]34)C(=O)c5ccc6[nH]nnc6c5)cc1;c1cc(ccc1C=CC(=O)N2CC3C(C2)C4C3CN(C4)C(=O)c5ccc6c(c5)nn[nH]6)OC(F)(F)F","InChI=1S/C25H22F3N5O3/c26-25(27,28)36-16-5-1-14(2-6-16)3-8-23(34)32-10-17-18(11-32)20-13-33(12-19(17)20)24(35)15-4-7-21-22(9-15)30-31-29-21/h1-9,17-20H,10-13H2,(H,29,30,31)/b8-3+/t17-,18+,19+,20-","","2023-06-12","2024-12-13","(2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","2024-12-18"],["LAS","N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine","C15 H24 N2 O7 S","O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C;CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(=O)SCC(NC(C)=O)C(O)=O;CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O","InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1","LACTACYSTIN","2008-07-10","2024-09-27","N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine",""],["A1CDR","1-(1-ethyl-1H-pyrrol-3-yl)methanamine","C7 H12 N2","NCc1ccn(CC)c1;CCn1ccc(CN)c1;CCn1ccc(c1)CN","InChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3","","2025-05-21","2025-10-31","1-(1-ethyl-1H-pyrrol-3-yl)methanamine","2025-11-05"],["LAT","BETA-LACTOSE","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1","","1999-07-08","2020-07-17","4-O-beta-D-galactopyranosyl-beta-D-glucopyranose",""],["Y9D","1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one","C36 H45 N7 O3","CCOc1c2nc(OC3CCN(C)CC3)nc(N4CCC5(CC4)CN(C5)C(=O)CC)c2cc(C=C)c1c6c(C)ccc7[nH]ncc67;CCC(=O)N1CC2(C1)CCN(CC2)c3c4cc(c(c(c4nc(n3)OC5CCN(CC5)C)OCC)c6c(ccc7c6cn[nH]7)C)C=C","InChI=1S/C36H45N7O3/c1-6-24-19-26-32(33(45-8-3)31(24)30-23(4)9-10-28-27(30)20-37-40-28)38-35(46-25-11-15-41(5)16-12-25)39-34(26)42-17-13-36(14-18-42)21-43(22-36)29(44)7-2/h6,9-10,19-20,25H,1,7-8,11-18,21-22H2,2-5H3,(H,37,40)","","2023-11-28","2024-01-12","1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one","2024-01-17"],["Y9E","2-oxo-4-phenylbutanoic acid","C10 H10 O3","O=C(O)C(=O)CCc1ccccc1;OC(=O)C(=O)CCc1ccccc1;c1ccc(cc1)CCC(=O)C(=O)O","InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)","","2023-01-17","2023-10-27","2-oxo-4-phenylbutanoic acid","2023-11-01"],["LAU","DODECANOIC ACID","C12 H24 O2","O=C(O)CCCCCCCCCCC;CCCCCCCCCCCC(O)=O;CCCCCCCCCCCC(=O)O","InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/f/h13H","","2002-08-02","2008-10-14","dodecanoic acid",""],["Y9F","5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile","C17 H21 N3 O2","CC(C)(C)c1cc(C#N)c(C)cc1OCC=1CCC(=O)NN=1;Cc1cc(OCC2=NNC(=O)CC2)c(cc1C#N)C(C)(C)C;Cc1cc(c(cc1C#N)C(C)(C)C)OCC2=NNC(=O)CC2","InChI=1S/C17H21N3O2/c1-11-7-15(14(17(2,3)4)8-12(11)9-18)22-10-13-5-6-16(21)20-19-13/h7-8H,5-6,10H2,1-4H3,(H,20,21)","","2023-06-12","2024-12-13","5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile","2024-12-18"],["LAV","N-[(2S)-2-amino-4-methylpentyl]-L-valine","C11 H24 N2 O2","O=C(O)C(NCC(N)CC(C)C)C(C)C;CC(C)C[CH](N)CN[CH](C(C)C)C(O)=O;CC(C)CC(CNC(C(C)C)C(=O)O)N","InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1","","2010-10-28","2024-09-27","N-[(2S)-2-amino-4-methylpentyl]-L-valine",""],["A1CDV","2-amino-5-bromopyridine-3-carboxamide","C6 H6 Br N3 O","O=C(N)c1cc(Br)cnc1N;NC(=O)c1cc(Br)cnc1N;c1c(cnc(c1C(=O)N)N)Br","InChI=1S/C6H6BrN3O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,8,10)(H2,9,11)","","2025-05-21","2025-11-07","2-amino-5-bromopyridine-3-carboxamide","2025-11-12"],["A1CDY","N,5-dimethyl-1,3,4-thiadiazol-2-amine","C4 H7 N3 S","Cc1nnc(NC)s1;CNc1sc(C)nn1;Cc1nnc(s1)NC","InChI=1S/C4H7N3S/c1-3-6-7-4(5-2)8-3/h1-2H3,(H,5,7)","","2025-05-21","2025-11-07","N,5-dimethyl-1,3,4-thiadiazol-2-amine","2025-11-12"],["LAW","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide","C25 H32 N12 O9 S","NCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNS(=O)(=O)CCN)O)O)N)O)O)N","InChI=1S/C25H32N12O9S/c26-3-5-47(42,43)34-6-11-16(38)19(41)25(45-11)37-13(35-15-21(28)30-9-32-23(15)37)2-1-4-44-7-12-17(39)18(40)24(46-12)36-10-33-14-20(27)29-8-31-22(14)36/h8-12,16-19,24-25,34,38-41H,3-7,26H2,(H2,27,29,31)(H2,28,30,32)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1","","2022-06-29","2023-01-06","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide","2023-01-11"],["Y9G","8-{[2-(fluorosulfonyl)ethyl]amino}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C12 H11 F N2 O5 S","FS(=O)(=O)CCNc1cccc2c1NC=C(C2=O)C(=O)O;OC(=O)C1=CNc2c(NCC[S](F)(=O)=O)cccc2C1=O;c1cc2c(c(c1)NCCS(=O)(=O)F)NC=C(C2=O)C(=O)O","InChI=1S/C12H11FN2O5S/c13-21(19,20)5-4-14-9-3-1-2-7-10(9)15-6-8(11(7)16)12(17)18/h1-3,6,14H,4-5H2,(H,15,16)(H,17,18)","","2023-11-28","2024-09-20","8-{[2-(fluorosulfonyl)ethyl]amino}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2024-09-25"],["A1CDZ","4-[2-(methylamino)ethyl]benzonitrile","C10 H12 N2","N#Cc1ccc(CCNC)cc1;CNCCc1ccc(cc1)C#N;CNCCc1ccc(cc1)C#N","InChI=1S/C10H12N2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,12H,6-7H2,1H3","","2025-05-21","2025-11-07","4-[2-(methylamino)ethyl]benzonitrile","2025-11-12"],["Y9H","(5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole","C17 H19 F N4","FCCC1CCN(CC1)c1nc2nc3ccccc3n2cc1;FCCC1CCN(CC1)c2ccn3c(n2)nc4ccccc34;c1ccc2c(c1)nc3n2ccc(n3)N4CCC(CC4)CCF","InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2","","2023-01-18","2023-06-02","(5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole","2023-06-07"],["LAX","EICOSA-8,11,14-TRIENOIC ACID","C20 H34 O2","O=C(O)CCCCCCC=C/CC=C/CC=C/CCCCC;CCCCCC=CCC=CCC=CCCCCCCC(O)=O;CCCCCC=CCC=CCC=CCCCCCCC(=O)O","InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-","DIHOMO-GAMMA-LINOLENIC ACID","2000-08-10","2020-06-17","(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid",""],["A1CEA","Canertinib","C24 H25 Cl F N5 O3","Fc1ccc(cc1Cl)Nc1ncnc2cc(OCCCN3CCOCC3)c(NC(=O)C=C)cc21;Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl;C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F","InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)","N-{4-(3-chloro-4-fluoroanilino)-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide","2025-05-27","2025-11-12","N-{4-(3-chloro-4-fluoroanilino)-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide","2025-10-08"],["Y9I","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(5-methylpyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine","C20 H19 Cl N6","Clc1ccc2CC(Cc2c1)Nc1ncc2CN(Cc2n1)c1ncc(C)cn1;Cc1cnc(nc1)N2Cc3cnc(N[CH]4Cc5ccc(Cl)cc5C4)nc3C2;Cc1cnc(nc1)N2Cc3cnc(nc3C2)NC4Cc5ccc(cc5C4)Cl","InChI=1S/C20H19ClN6/c1-12-7-23-20(24-8-12)27-10-15-9-22-19(26-18(15)11-27)25-17-5-13-2-3-16(21)4-14(13)6-17/h2-4,7-9,17H,5-6,10-11H2,1H3,(H,22,25,26)/t17-/m0/s1","","2023-06-12","2024-12-13","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(5-methylpyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine","2024-12-18"],["LAY","N-acetyl-L-leucine","C8 H15 N O3","O=C(NC(C(=O)O)CC(C)C)C;CC(C)C[CH](NC(C)=O)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C","InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1","","2015-01-22","2024-09-27","N-acetyl-L-leucine","2016-01-27"],["LAZ","N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE","C9 H10 Cl N O2","O=C(c1ccc(Cl)cc1)NCCO;OCCNC(=O)c1ccc(Cl)cc1;c1cc(ccc1C(=O)NCCO)Cl","InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)","4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE","2003-07-08","2021-03-01","4-chloro-N-(2-hydroxyethyl)benzamide",""],["Y9J","Treprostinil","C23 H34 O5","CCCCC[CH](O)CC[CH]1[CH](O)C[CH]2Cc3c(C[CH]12)cccc3OCC(O)=O;CCCCCC(CCC1C2Cc3cccc(c3CC2CC1O)OCC(=O)O)O","InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1","2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid","2023-11-28","2024-11-11","2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid","2024-03-06"],["A1CEE","(2S)-3-amino-2-{1-[(1R)-1-(7-ethoxynaphthalen-1-yl)ethyl]piperidin-4-yl}-N-(2-oxo-2-{[(2Z)-4,4,4-trifluorobut-2-en-1-yl]amino}ethyl)propanamide","C28 H37 F3 N4 O3","CC(c1cccc2ccc(OCC)cc21)N1CCC(CC1)C(CN)C(=O)NCC(=O)NCC=C/C(F)(F)F;CCOc1ccc2cccc([CH](C)N3CCC(CC3)[CH](CN)C(=O)NCC(=O)NCC=CC(F)(F)F)c2c1;CCOc1ccc2cccc(c2c1)C(C)N3CCC(CC3)C(CN)C(=O)NCC(=O)NCC=CC(F)(F)F","InChI=1S/C28H37F3N4O3/c1-3-38-22-9-8-20-6-4-7-23(24(20)16-22)19(2)35-14-10-21(11-15-35)25(17-32)27(37)34-18-26(36)33-13-5-12-28(29,30)31/h4-9,12,16,19,21,25H,3,10-11,13-15,17-18,32H2,1-2H3,(H,33,36)(H,34,37)/b12-5-/t19-,25-/m1/s1","(2S)-3-amino-2-{1-[(1R)-1-(7-ethoxynaphthalen-1-yl)ethyl]piperidin-4-yl}-N-{2-oxo-2-[(4,4,4-trifluorobut-2-yn-1-yl)amino]ethyl}propanamide, bound form","2025-05-28","2026-02-20","(2S)-3-amino-2-{1-[(1R)-1-(7-ethoxynaphthalen-1-yl)ethyl]piperidin-4-yl}-N-(2-oxo-2-{[(2Z)-4,4,4-trifluorobut-2-en-1-yl]amino}ethyl)propanamide","2026-02-25"],["LB0","(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide","C14 H18 N2 O","O=C(Nc1cnccc1C)C1CC(C1)C1CC1;Cc1ccncc1NC(=O)[CH]2C[CH](C2)C3CC3;Cc1ccncc1NC(=O)C2CC(C2)C3CC3","InChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12-","","2023-08-15","2023-11-03","(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide","2023-11-08"],["Y9K","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-([1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~-yl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","C48 H51 N9 O16 P2","Cc1cc2c(cc1C)N1C(O)CC(c3ccc(cc3)c3cccc(c3)c3ccccc3)C11C(=O)NC(=O)N=C1N2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8ccc(cc8)c9cccc(c9)c%10ccccc%10;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccc(cc8)c9cccc(c9)c1ccccc1)O","InChI=1S/C48H51N9O16P2/c1-24-15-32-33(16-25(24)2)57-37(60)18-31(28-13-11-27(12-14-28)30-10-6-9-29(17-30)26-7-4-3-5-8-26)48(57)45(53-47(65)54-46(48)64)55(32)19-34(58)39(61)35(59)20-70-74(66,67)73-75(68,69)71-21-36-40(62)41(63)44(72-36)56-23-52-38-42(49)50-22-51-43(38)56/h3-17,22-23,31,34-37,39-41,44,58-63H,18-21H2,1-2H3,(H,66,67)(H,68,69)(H2,49,50,51)(H,54,64,65)/t31-,34-,35+,36+,37+,39-,40+,41+,44+,48-/m0/s1","","2023-01-18","2024-08-02","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-([1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~-yl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2024-08-07"],["Y9L","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C22 H19 F3 N4 O6","FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)c1ccc2NC(=O)Oc2n1;FC(F)(F)Oc1ccc(COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5NC(=O)Oc5n4)cc1;c1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(n4)OC(=O)N5)OC(F)(F)F","InChI=1S/C22H19F3N4O6/c23-22(24,25)35-15-3-1-12(2-4-15)11-33-21(32)29-9-13-7-28(8-14(13)10-29)19(30)17-6-5-16-18(26-17)34-20(31)27-16/h1-6,13-14H,7-11H2,(H,27,31)","","2023-06-12","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1CEF","5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide","C20 H21 F3 N2 O5","NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c1ccc(OCC2COCC(C)(C)O2)cc1;CC1(C)COC[CH](COc2ccc(cc2)C3=C(NC(=O)C(=C3)C(N)=O)C(F)(F)F)O1;CC1(COCC(O1)COc2ccc(cc2)C3=C(NC(=O)C(=C3)C(=O)N)C(F)(F)F)C","InChI=1S/C20H21F3N2O5/c1-19(2)10-28-8-13(30-19)9-29-12-5-3-11(4-6-12)14-7-15(17(24)26)18(27)25-16(14)20(21,22)23/h3-7,13H,8-10H2,1-2H3,(H2,24,26)(H,25,27)","","2025-05-28","2025-08-01","5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide","2025-08-06"],["LB1","(1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","C13 H20 N2 O4","C2(C(C(N1CCN(CC1)C)=O)C3CCC2O3)C(O)=O;CN1CCN(CC1)C(=O)[CH]2[CH]3CC[CH](O3)[CH]2C(O)=O;CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3","InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10-,11+/m1/s1","","2017-07-17","2018-07-13","(1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","2018-07-18"],["Y9M","N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide","C38 H56 F N5 O7","CN(Cc1ccccc1)C(=O)C(CCOC)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(F)CC(C)(C)C)C(C)(C)O)C(C)c1ccccc1;COCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)[CH](NC(=O)[CH](F)CC(C)(C)C)C(C)(C)O)[CH](C)c1ccccc1)C(=O)N(C)Cc2ccccc2;CC(c1ccccc1)C(C(=O)NC(C)C(=O)NC(CCOC)C(=O)N(C)Cc2ccccc2)NC(=O)C(C(C)(C)O)NC(=O)C(CC(C)(C)C)F","InChI=1S/C38H56FN5O7/c1-24(27-18-14-11-15-19-27)30(42-35(48)31(38(6,7)50)43-33(46)28(39)22-37(3,4)5)34(47)40-25(2)32(45)41-29(20-21-51-9)36(49)44(8)23-26-16-12-10-13-17-26/h10-19,24-25,28-31,50H,20-23H2,1-9H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)/t24-,25+,28-,29-,30-,31+/m0/s1","","2023-11-28","2024-02-09","N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide","2024-02-14"],["LB2","3-O-beta-D-glucopyranosyl-beta-D-glucopyranose","C12 H22 O11","O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1","Laminaribiose","2008-11-11","2020-07-17","3-O-beta-D-glucopyranosyl-beta-D-glucopyranose",""],["A1CEM","5-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide","C18 H18 F3 N3 O3","NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c1ccc(cc1)CN1CCOCC1;NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c2ccc(CN3CCOCC3)cc2;c1cc(ccc1CN2CCOCC2)C3=C(NC(=O)C(=C3)C(=O)N)C(F)(F)F","InChI=1S/C18H18F3N3O3/c19-18(20,21)15-13(9-14(16(22)25)17(26)23-15)12-3-1-11(2-4-12)10-24-5-7-27-8-6-24/h1-4,9H,5-8,10H2,(H2,22,25)(H,23,26)","","2025-05-29","2025-08-01","5-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide","2025-08-06"],["A1CEQ","(2P)-N-[5-(cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-2-[2-(difluoromethyl)-5-methoxypyridin-4-yl]-4-[(4-hydroxyoxan-4-yl)ethynyl]benzamide","C28 H24 F2 N4 O4 S","O=C(Nc1nnc(C#CC2CC2)s1)c1ccc(C#CC2(O)CCOCC2)cc1c1cc(ncc1OC)C(F)F;COc1cnc(cc1c2cc(ccc2C(=O)Nc3sc(nn3)C#CC4CC4)C#CC5(O)CCOCC5)C(F)F;COc1cnc(cc1c2cc(ccc2C(=O)Nc3nnc(s3)C#CC4CC4)C#CC5(CCOCC5)O)C(F)F","InChI=1S/C28H24F2N4O4S/c1-37-23-16-31-22(25(29)30)15-21(23)20-14-18(8-9-28(36)10-12-38-13-11-28)4-6-19(20)26(35)32-27-34-33-24(39-27)7-5-17-2-3-17/h4,6,14-17,25,36H,2-3,10-13H2,1H3,(H,32,34,35)","","2025-05-30","2025-09-12","(2P)-N-[5-(cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-2-[2-(difluoromethyl)-5-methoxypyridin-4-yl]-4-[(4-hydroxyoxan-4-yl)ethynyl]benzamide","2025-09-17"],["Y9N","N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide","C38 H40 F2 N6 O5 S","COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2cc(F)cc(F)c2)NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3;Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)NC(Cc4cc(cc(c4)F)F)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O","InChI=1S/C38H40F2N6O5S/c1-24(2)22-46(52(49,50)32-11-9-31(51-4)10-12-32)23-36(47)35(18-26-16-29(39)20-30(40)17-26)43-37(48)27-8-7-25(3)34(19-27)45-38-42-15-13-33(44-38)28-6-5-14-41-21-28/h5-17,19-21,24,35-36,47H,18,22-23H2,1-4H3,(H,43,48)(H,42,44,45)/t35-,36+/m0/s1","","2023-01-18","2023-05-19","N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide","2023-05-24"],["IVM","(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17\n-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy\nclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside","C48 H74 O14","O=C5OC2CC(OC1(OC(C(C)CC)C(C)CC1)C2)CC=C(C)C(OC4OC(C)C(OC3OC(C)C(O)C(OC)C3)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC5C67O)C)C;CC[CH](C)[CH]1O[C]2(CC[CH]1C)C[CH]3C[CH](CC=C(C)[CH](O[CH]4C[CH](OC)[CH](O[CH]5C[CH](OC)[CH](O)[CH](C)O5)[CH](C)O4)[CH](C)C=CC=C6CO[CH]7[CH](O)C(=C[CH](C(=O)O3)[C]67O)C)O2;CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C","InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1","22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN","2011-04-15","2020-06-17","(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside",""],["Y9O","5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C22 H23 Cl N4 O4","O=C(c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C)N1CCOCC1;CN1C(=O)NN=C1COc2cc(C)c(Cl)cc2c3cccc(c3)C(=O)N4CCOCC4;Cc1cc(c(cc1Cl)c2cccc(c2)C(=O)N3CCOCC3)OCC4=NNC(=O)N4C","InChI=1S/C22H23ClN4O4/c1-14-10-19(31-13-20-24-25-22(29)26(20)2)17(12-18(14)23)15-4-3-5-16(11-15)21(28)27-6-8-30-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,29)","","2023-06-12","2024-12-13","5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["A1CER","(3M)-2'-chloro-N-{5-[(1S,2S)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl}-5'-methoxy[3,4'-bipyridine]-4-carboxamide","C24 H17 Cl N6 O2 S","O=C(Nc1nnc(s1)C1CC1c1ccc(C#N)cc1)c1ccncc1c1cc(Cl)ncc1OC;COc1cnc(Cl)cc1c2cnccc2C(=O)Nc3sc(nn3)[CH]4C[CH]4c5ccc(cc5)C#N;COc1cnc(cc1c2cnccc2C(=O)Nc3nnc(s3)C4CC4c5ccc(cc5)C#N)Cl","InChI=1S/C24H17ClN6O2S/c1-33-20-12-28-21(25)9-17(20)19-11-27-7-6-15(19)22(32)29-24-31-30-23(34-24)18-8-16(18)14-4-2-13(10-26)3-5-14/h2-7,9,11-12,16,18H,8H2,1H3,(H,29,31,32)/t16-,18+/m1/s1","","2025-05-30","2025-09-12","(3M)-2'-chloro-N-{5-[(1S,2S)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl}-5'-methoxy[3,4'-bipyridine]-4-carboxamide","2025-09-17"],["IVN","(2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid","C25 H22 Cl F3 N6 O3","Cc1ccn(n1)c2cc(Cl)ccc2[CH](Oc3cc(nc(N)n3)c4ccc(C[CH](N)C(O)=O)cc4)C(F)(F)F;Cc1ccn(n1)c2cc(ccc2C(C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)CC(C(=O)O)N)Cl","InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22-/m1/s1","","2022-04-14","2022-09-02","(2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid","2022-09-07"],["Y9P","4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one","C9 H13 Cl N4 O","CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2;CN1C(=O)C(=C(C=N1)NC2CCNC2)Cl","InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m1/s1","","2021-02-12","2022-08-05","4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one","2022-08-10"],["IVO","(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid","C8 H10 N2 O5","O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O;c1cn2c(n1)C(C(C(C2C(=O)O)O)O)O","InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1","","2022-07-20","2022-12-02","(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid","2022-12-07"],["A1CEV","2-[(9R)-1'-[(1,3-benzoxazol-2-yl)acetyl]-2-(morpholin-4-yl)-8-oxo-5,8-dihydro-4H-spiro[furo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide","C33 H30 Cl F3 N8 O6","FC(F)(F)c1ccc(NC(=O)CN2c3nc(nn3C(=O)C3=C2COC23CCN(CC2)C(=O)Cc2nc3ccccc3o2)N2CCOCC2)c(Cl)c1;FC(F)(F)c1ccc(NC(=O)CN2C3=C(C(=O)n4nc(nc24)N5CCOCC5)C6(CCN(CC6)C(=O)Cc7oc8ccccc8n7)OC3)c(Cl)c1;c1ccc2c(c1)nc(o2)CC(=O)N3CCC4(CC3)C5=C(CO4)N(c6nc(nn6C5=O)N7CCOCC7)CC(=O)Nc8ccc(cc8Cl)C(F)(F)F","InChI=1S/C33H30ClF3N8O6/c34-20-15-19(33(35,36)37)5-6-21(20)38-25(46)17-44-23-18-50-32(28(23)29(48)45-31(44)40-30(41-45)43-11-13-49-14-12-43)7-9-42(10-8-32)27(47)16-26-39-22-3-1-2-4-24(22)51-26/h1-6,15H,7-14,16-18H2,(H,38,46)","","2025-06-03","2025-09-05","2-[(9R)-1'-[(1,3-benzoxazol-2-yl)acetyl]-2-(morpholin-4-yl)-8-oxo-5,8-dihydro-4H-spiro[furo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide","2025-09-10"],["IVP","N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea","C25 H24 N4 O3","Cc1ccc(cc1)NC(=O)N(Cc1ccc(OC)cc1)CC1=Nc2ccccc2C(=O)N1;COc1ccc(CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccc(C)cc4)cc1;Cc1ccc(cc1)NC(=O)N(Cc2ccc(cc2)OC)CC3=Nc4ccccc4C(=O)N3","InChI=1S/C25H24N4O3/c1-17-7-11-19(12-8-17)26-25(31)29(15-18-9-13-20(32-2)14-10-18)16-23-27-22-6-4-3-5-21(22)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30)","","2022-02-01","2022-10-07","N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea","2022-10-12"],["A1CEY","N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(5S,9R)-1'-(3-hydroxypyridine-2-carbonyl)-5-methyl-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide","C32 H32 Cl F3 N8 O5","FC(F)(F)c1ccc(NC(=O)CN2C=3C(C)CC4(CCN(CC4)C(=O)c4ncccc4O)C=3C(=O)n3nc(nc32)N2CCOCC2)c(Cl)c1;C[CH]1CC2(CCN(CC2)C(=O)c3ncccc3O)C4=C1N(CC(=O)Nc5ccc(cc5Cl)C(F)(F)F)c6nc(nn6C4=O)N7CCOCC7;CC1CC2(CCN(CC2)C(=O)c3c(cccn3)O)C4=C1N(c5nc(nn5C4=O)N6CCOCC6)CC(=O)Nc7ccc(cc7Cl)C(F)(F)F","InChI=1S/C32H32ClF3N8O5/c1-18-16-31(6-9-41(10-7-31)28(48)25-22(45)3-2-8-37-25)24-26(18)43(17-23(46)38-21-5-4-19(15-20(21)33)32(34,35)36)30-39-29(40-44(30)27(24)47)42-11-13-49-14-12-42/h2-5,8,15,18,45H,6-7,9-14,16-17H2,1H3,(H,38,46)/t18-/m0/s1","","2025-06-03","2025-09-05","N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(5S,9R)-1'-(3-hydroxypyridine-2-carbonyl)-5-methyl-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide","2025-09-10"],["Y9Q","2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid","C25 H29 N3 O3","CC(C)N(CCCCOCC(O)=O)c1cnc(c2ccccc2)c(n1)c3ccccc3;CC(C)N(CCCCOCC(=O)O)c1cnc(c(n1)c2ccccc2)c3ccccc3","InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)","","2023-11-28","2024-03-01","2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid","2024-03-06"],["A1CEZ","N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(9R)-1'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide","C31 H31 Cl F3 N9 O5","FC(F)(F)c1ccc(NC(=O)CN2C=3CCC4(CCN(CC4)C(=O)c4ncnc(C)c4O)C=3C(=O)n3nc(nc32)N2CCOCC2)c(Cl)c1;Cc1ncnc(c1O)C(=O)N2CCC3(CC2)CCC4=C3C(=O)n5nc(nc5N4CC(=O)Nc6ccc(cc6Cl)C(F)(F)F)N7CCOCC7;Cc1c(c(ncn1)C(=O)N2CCC3(CCC4=C3C(=O)n5c(nc(n5)N6CCOCC6)N4CC(=O)Nc7ccc(cc7Cl)C(F)(F)F)CC2)O","InChI=1S/C31H31ClF3N9O5/c1-17-25(46)24(37-16-36-17)27(48)41-8-6-30(7-9-41)5-4-21-23(30)26(47)44-29(39-28(40-44)42-10-12-49-13-11-42)43(21)15-22(45)38-20-3-2-18(14-19(20)32)31(33,34)35/h2-3,14,16,46H,4-13,15H2,1H3,(H,38,45)","","2025-06-03","2025-09-05","N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(9R)-1'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide","2025-09-10"],["Y9R","N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide","C37 H41 N7 O4 S","Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2ccc(C)c(Nc3nccc(n3)c4cccnc4)c2)[S](=O)(=O)c5ccc(N)cc5;Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)NC(Cc4ccccc4)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)N)O","InChI=1S/C37H41N7O4S/c1-25(2)23-44(49(47,48)31-15-13-30(38)14-16-31)24-35(45)34(20-27-8-5-4-6-9-27)41-36(46)28-12-11-26(3)33(21-28)43-37-40-19-17-32(42-37)29-10-7-18-39-22-29/h4-19,21-22,25,34-35,45H,20,23-24,38H2,1-3H3,(H,41,46)(H,40,42,43)/t34-,35+/m0/s1","","2023-01-18","2023-05-19","N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide","2023-05-24"],["IVQ","8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione","C24 H22 N6 O4","CCCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5cc6OCOc6cc5n4)nc12;CCCN1c2c(n(c(n2)Cc3[nH]c4cc5c(cc4n3)OCO5)Cc6ccccc6)C(=O)NC1=O","InChI=1S/C24H22N6O4/c1-2-8-29-22-21(23(31)28-24(29)32)30(12-14-6-4-3-5-7-14)20(27-22)11-19-25-15-9-17-18(34-13-33-17)10-16(15)26-19/h3-7,9-10H,2,8,11-13H2,1H3,(H,25,26)(H,28,31,32)","","2022-04-14","2022-09-02","8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione","2022-09-07"],["IVR","9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine","C13 H13 Cl N6","CNc1nc(Cl)nc2n(Cc3ccccc3N)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3N","InChI=1S/C13H13ClN6/c1-16-11-10-12(19-13(14)18-11)20(7-17-10)6-8-4-2-3-5-9(8)15/h2-5,7H,6,15H2,1H3,(H,16,18,19)","","2023-08-03","2023-12-01","9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine","2023-12-06"],["Y9S","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(6-sulfamoylpyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C21 H21 F3 N4 O6 S","NS(=O)(=O)c1ccc(cn1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1;N[S](=O)(=O)c1ccc(cn1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)OCc4ccc(OC(F)(F)F)cc4;c1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc(nc4)S(=O)(=O)N)OC(F)(F)F","InChI=1S/C21H21F3N4O6S/c22-21(23,24)34-17-4-1-13(2-5-17)12-33-20(30)28-10-15-8-27(9-16(15)11-28)19(29)14-3-6-18(26-7-14)35(25,31)32/h1-7,15-16H,8-12H2,(H2,25,31,32)","","2023-06-12","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(6-sulfamoylpyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1CFB","[(1E)-3-(3-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid","C10 H11 Cl N O5 P","O=C(c1cc(Cl)ccc1)N(O)C/C=C/P(=O)(O)O;ON(CC=C[P](O)(O)=O)C(=O)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(=O)N(CC=CP(=O)(O)O)O","InChI=1S/C10H11ClNO5P/c11-9-4-1-3-8(7-9)10(13)12(14)5-2-6-18(15,16)17/h1-4,6-7,14H,5H2,(H2,15,16,17)/b6-2+","","2025-06-06","2026-03-20","[(1E)-3-(3-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid","2026-03-25"],["IVS","3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER","C25 H47 N3 O6","O=C(OCC)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C;CCOC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](NC(=O)CC(C)C)C(C)C)C(C)C;CCOC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O","InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18-,19-,22-,23-/m0/s1","","2002-09-04","2011-06-04","N-(3-methylbutanoyl)-L-valyl-N-[(1S,2S)-4-ethoxy-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-L-valinamide",""],["Y9T","N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","C22 H25 F3 N4 O3","FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)CCC(C)(C)O;CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O;CC(C)(CCn1cc2cc(c(cc2n1)C(C)(C)O)NC(=O)c3cccc(n3)C(F)(F)F)O","InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)","","2023-11-28","2024-06-28","N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","2024-07-03"],["IVT","(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","C16 H22 N8","Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CCCC1;Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N4CCCC4;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4CCCC4)C","InChI=1S/C16H22N8/c1-11-10-17-12(2)15-18-13(20-24(11)15)6-7-14-19-16(21-22(14)3)23-8-4-5-9-23/h10H,4-9H2,1-3H3","","2022-02-01","2022-10-07","(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["A1CFE","(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine","C12 H15 N3 O","NC(c1ccc(OC)cc1)c1nccn1C;COc1ccc(cc1)[CH](N)c2nccn2C;Cn1ccnc1C(c2ccc(cc2)OC)N","InChI=1S/C12H15N3O/c1-15-8-7-14-12(15)11(13)9-3-5-10(16-2)6-4-9/h3-8,11H,13H2,1-2H3/t11-/m0/s1","","2025-06-09","2025-10-31","(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine","2025-11-05"],["Y9V","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine","C16 H14 Cl N5 O","Cc1nc(on1)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1;Cc1noc(n1)c2cnc(N[CH]3Cc4ccc(Cl)cc4C3)nc2;Cc1nc(on1)c2cnc(nc2)NC3Cc4ccc(cc4C3)Cl","InChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21)","","2023-06-12","2024-12-13","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine","2024-12-18"],["IVU","3-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-5-{2-[4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL]ETHYL}BENZONITRILE","C24 H27 N5","N#Cc1cc(cc(c1)CCc2nc(N)cc(c2)C)CCc3nc(NC)cc(c3)C;CNc1cc(C)cc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)C#N)n1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C","InChI=1S/C24H27N5/c1-16-8-21(28-23(26)10-16)6-4-18-12-19(14-20(13-18)15-25)5-7-22-9-17(2)11-24(27-3)29-22/h8-14H,4-7H2,1-3H3,(H2,26,28)(H,27,29)","","2014-10-23","2015-01-09","3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile","2015-01-14"],["A1CFF","N-cyclohexylurea","C7 H14 N2 O","O=C(N)NC1CCCCC1;NC(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)N","InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)","","2025-06-09","2025-10-31","N-cyclohexylurea","2025-11-05"],["Y9W","2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol","C17 H13 N3 O S","CNc1ccc(cn1)C#CC=Cc2sc3cc(O)ccc3n2;CNc1ccc(cn1)C#CC=Cc2nc3ccc(cc3s2)O","InChI=1S/C17H13N3OS/c1-18-16-9-6-12(11-19-16)4-2-3-5-17-20-14-8-7-13(21)10-15(14)22-17/h3,5-11,21H,1H3,(H,18,19)/b5-3+","","2023-11-28","2024-09-06","2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol","2024-09-11"],["Y9X","N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea","C27 H30 N6 O2","Cc1ccc(cc1)NC(=O)Nc1cc(cc(CCC)c1OCCC)c1ccccc1c1nnn[NH]1;CCCOc1c(CCC)cc(cc1NC(=O)Nc2ccc(C)cc2)c3ccccc3c4[nH]nnn4;CCCc1cc(cc(c1OCCC)NC(=O)Nc2ccc(cc2)C)c3ccccc3c4[nH]nnn4","InChI=1S/C27H30N6O2/c1-4-8-19-16-20(22-9-6-7-10-23(22)26-30-32-33-31-26)17-24(25(19)35-15-5-2)29-27(34)28-21-13-11-18(3)12-14-21/h6-7,9-14,16-17H,4-5,8,15H2,1-3H3,(H2,28,29,34)(H,30,31,32,33)","","2023-01-19","2023-04-21","N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea","2023-04-26"],["IVV","N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide","C24 H46 N3 O7 P","O=P(O)(C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)OCC;CCOC(=O)C[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](NC(=O)CC(C)C)C(C)C)C(C)C;CCOC(=O)CP(=O)(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O","InChI=1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-23(30)22(17(8)9)27-24(31)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22H,10-13H2,1-9H3,(H,25,28)(H,26,30)(H,27,31)(H,32,33)/t19-,21+,22+/m1/s1","PHOSPHINIC ACID ANALOGUE OF STATIN (IVA)-VAL-VAL-STA(P)-O-ET","2010-10-28","2021-03-01","N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide",""],["A1CFR","(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine","C8 H14 F3 N","CNC1CCC(CC1)C(F)(F)F;CN[CH]1CC[CH](CC1)C(F)(F)F;CNC1CCC(CC1)C(F)(F)F","InChI=1S/C8H14F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-","","2025-06-09","2025-10-31","(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine","2025-11-05"],["Y9Y","paranitrophenyl-alpha-L-galactopyranoside","C12 H15 N O8","OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m0/s1","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol","2021-02-12","2022-02-04","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol","2022-02-09"],["IVW","8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione","C23 H20 N6 O2","O=C1NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccccc5n4)nc2N1C6CC6;c1ccc(cc1)Cn2c(nc3c2C(=O)NC(=O)N3C4CC4)Cc5[nH]c6ccccc6n5","InChI=1S/C23H20N6O2/c30-22-20-21(29(15-10-11-15)23(31)27-22)26-19(28(20)13-14-6-2-1-3-7-14)12-18-24-16-8-4-5-9-17(16)25-18/h1-9,15H,10-13H2,(H,24,25)(H,27,30,31)","","2022-04-14","2022-09-02","8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione","2022-09-07"],["IVY","3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one","C20 H12 F4 N4 O","FC(F)(F)c1cc(ccc1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F;Fc1ccccc1n2nccc2C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F;c1ccc(c(c1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F)F","InChI=1S/C20H12F4N4O/c21-15-6-1-2-7-16(15)28-17(8-10-25-28)19-18(29)9-11-27(26-19)14-5-3-4-13(12-14)20(22,23)24/h1-12H","","2022-02-01","2022-10-07","3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one","2022-10-12"],["Y9Z","5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine","C14 H22 N6 O12 P2","O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;CC(=O)NCCO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N;CC(=O)NCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O","InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1","","2013-12-27","2024-09-27","5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine","2014-06-04"],["A1CFS","2-(azetidin-3-yl)-1H-imidazole","C6 H9 N3","n1cc[NH]c1C1CNC1;C1NCC1c2[nH]ccn2;c1cnc([nH]1)C2CNC2","InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9)","","2025-06-09","2025-10-31","2-(azetidin-3-yl)-1H-imidazole","2025-11-05"],["A1CFV","N-methyl-5-[(methylamino)methyl]furan-2-carboxamide","C8 H12 N2 O2","CNCc1ccc(o1)C(=O)NC;CNCc1oc(cc1)C(=O)NC;CNCc1ccc(o1)C(=O)NC","InChI=1S/C8H12N2O2/c1-9-5-6-3-4-7(12-6)8(11)10-2/h3-4,9H,5H2,1-2H3,(H,10,11)","","2025-06-09","2025-10-31","N-methyl-5-[(methylamino)methyl]furan-2-carboxamide","2025-11-05"],["IVZ","(2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid","C26 H26 N8 O5","CN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccc(NC(=O)CC[CH](N)C(O)=O)cc5n4)nc12;CN1c2c(n(c(n2)Cc3[nH]c4ccc(cc4n3)NC(=O)CCC(C(=O)O)N)Cc5ccccc5)C(=O)NC1=O","InChI=1S/C26H26N8O5/c1-33-23-22(24(36)32-26(33)39)34(13-14-5-3-2-4-6-14)20(31-23)12-19-29-17-9-7-15(11-18(17)30-19)28-21(35)10-8-16(27)25(37)38/h2-7,9,11,16H,8,10,12-13,27H2,1H3,(H,28,35)(H,29,30)(H,37,38)(H,32,36,39)/t16-/m1/s1","","2022-04-14","2022-09-02","(2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid","2022-09-07"],["YA0","(5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one","C20 H18 N2 O2 S","O=C1N=C(SC1=C/c1ccc(Oc2ccccc2)cc1)N1CCCC1;O=C1N=C(SC1=Cc2ccc(Oc3ccccc3)cc2)N4CCCC4;c1ccc(cc1)Oc2ccc(cc2)C=C3C(=O)N=C(S3)N4CCCC4","InChI=1S/C20H18N2O2S/c23-19-18(25-20(21-19)22-12-4-5-13-22)14-15-8-10-17(11-9-15)24-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2","","2023-06-12","2024-12-13","(5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one","2024-12-18"],["YA1","(1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C31 H52 O3","OC3C(=C)C(O)C/C(=CC=C1/CCCC2(C)C(C(C)C(CCCC)CCC(O)(C)C)CCC12)C3;CCCC[CH](CCC(C)(C)O)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCCCC(CCC(C)(C)O)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24-,26-,27+,28-,29-,31-/m1/s1","","2014-04-17","2014-06-06","(1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2014-06-11"],["A1CFY","2-propylpyrimidin-4-amine","C7 H11 N3","CCCc1nc(N)ccn1;CCCc1nccc(N)n1;CCCc1nccc(n1)N","InChI=1S/C7H11N3/c1-2-3-7-9-5-4-6(8)10-7/h4-5H,2-3H2,1H3,(H2,8,9,10)","","2025-06-09","2025-10-31","2-propylpyrimidin-4-amine","2025-11-05"],["IW0","~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide","C14 H15 Cl N6 O2 S","CNc1nc(Cl)nc2n(Cc3ccccc3N[S](C)(=O)=O)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3NS(=O)(=O)C","InChI=1S/C14H15ClN6O2S/c1-16-12-11-13(19-14(15)18-12)21(8-17-11)7-9-5-3-4-6-10(9)20-24(2,22)23/h3-6,8,20H,7H2,1-2H3,(H,16,18,19)","","2023-08-03","2023-12-01","~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide","2023-12-06"],["IW1","2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol","C14 H8 Br2 Cl2 O","Brc1cc(cc(Br)c1O)C=Cc2c(Cl)cccc2Cl;Oc1c(Br)cc(C=Cc2c(Cl)cccc2Cl)cc1Br;c1cc(c(c(c1)Cl)C=Cc2cc(c(c(c2)Br)O)Br)Cl","InChI=1S/C14H8Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-7,19H/b5-4+","","2009-08-12","2011-06-04","2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol",""],["YA2","(1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C32 H54 O3","OC3C(=C)C(O)C/C(=CC=C1/CCCC2(C)C(C(C)C(CCCC)CC(O)(CC)CC)CCC12)C3;CCCC[CH](CC(O)(CC)CC)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCCCC(CC(CC)(CC)O)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C32H54O3/c1-7-10-12-26(21-32(35,8-2)9-3)22(4)27-16-17-28-25(13-11-18-31(27,28)6)15-14-24-19-29(33)23(5)30(34)20-24/h14-15,22,26-30,33-35H,5,7-13,16-21H2,1-4,6H3/b25-15+/t22-,26-,27-,28+,29-,30-,31-/m1/s1","","2014-05-02","2014-06-06","(1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2014-06-11"],["YA3","2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide","C41 H41 Cl N12 O6 S","Cc8c(C)c7C(c1ccc(Cl)cc1)=NC(CC(=O)NCc5cn(CCCCNC(CNc2cccc3c2C(N(C3=O)C4C(NC(CC4)=O)=O)=O)=O)nn5)c6nnc(n6c7s8)C;Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4cn(CCCCNC(=O)CNc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)nn4)N=C(c8ccc(Cl)cc8)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C","InChI=1S/C41H41ClN12O6S/c1-21-22(2)61-41-34(21)36(24-9-11-25(42)12-10-24)46-29(37-50-48-23(3)53(37)41)17-32(56)45-18-26-20-52(51-49-26)16-5-4-15-43-33(57)19-44-28-8-6-7-27-35(28)40(60)54(39(27)59)30-13-14-31(55)47-38(30)58/h6-12,20,29-30,44H,4-5,13-19H2,1-3H3,(H,43,57)(H,45,56)(H,47,55,58)/t29-,30?/m0/s1","","2020-05-11","2021-11-12","N-(4-{4-[({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)methyl]-1H-1,2,3-triazol-1-yl}butyl)-N~2~-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide","2021-11-17"],["A1CG7","7-amino-1-methyl-3-{[(1H-tetrazol-5-yl)amino]methyl}pyrimido[4,5-c]pyridazine-4,5(1H,6H)-dione","C9 H10 N10 O2","O=C1C(=NN(C)C=2N=C(N)NC(=O)C1=2)CNc1nnn[NH]1;CN1N=C(CNc2[nH]nnn2)C(=O)C3=C1N=C(N)NC3=O;CN1C2=C(C(=O)C(=N1)CNc3[nH]nnn3)C(=O)NC(=N2)N","InChI=1S/C9H10N10O2/c1-19-6-4(7(21)13-8(10)12-6)5(20)3(16-19)2-11-9-14-17-18-15-9/h2H2,1H3,(H3,10,12,13,21)(H2,11,14,15,17,18)","","2025-06-19","2025-10-31","7-amino-1-methyl-3-{[(1H-tetrazol-5-yl)amino]methyl}pyrimido[4,5-c]pyridazine-4,5(1H,6H)-dione","2025-11-05"],["IW2","2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol","C14 H10 Br2 Cl2 O","Brc1cc(cc(Br)c1O)CCc2c(Cl)cccc2Cl;Oc1c(Br)cc(CCc2c(Cl)cccc2Cl)cc1Br;c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl","InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2","","2009-08-12","2011-06-04","2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol",""],["YA4","[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid","C5 H11 O6 P S","O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O;C1C(C(C(O1)COP(=O)(O)S)O)O","InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1","","2021-02-12","2024-09-27","[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid","2021-08-04"],["A1CG8","(1R,2S,5S)-N-[(1S,2Z)-2-imino-1-(5-methoxypyridin-3-yl)ethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C24 H32 F3 N5 O4","CC1(C)C2C(C(=O)NC(C=N)c3cc(OC)cnc3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;COc1cncc(c1)[CH](NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C3(C)C)C=N;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(C=N)c3cc(cnc3)OC)C","InChI=1S/C24H32F3N5O4/c1-22(2,3)18(31-21(35)24(25,26)27)20(34)32-11-14-16(23(14,4)5)17(32)19(33)30-15(8-28)12-7-13(36-6)10-29-9-12/h7-10,14-18,28H,11H2,1-6H3,(H,30,33)(H,31,35)/b28-8-/t14-,15+,16-,17-,18+/m0/s1","","2025-06-19","2026-02-27","(1R,2S,5S)-N-[(1S,2Z)-2-imino-1-(5-methoxypyridin-3-yl)ethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2026-03-04"],["IW3","4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol","C14 H11 Br2 N O","Brc1cc(cc(Br)c1O)C=Cc2ccc(N)cc2;Nc1ccc(cc1)C=Cc2cc(Br)c(O)c(Br)c2;c1cc(ccc1C=Cc2cc(c(c(c2)Br)O)Br)N","InChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+","","2009-08-12","2011-06-04","4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol",""],["YA5","(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C16 H10 F N O6 S","FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O;OC(=O)C1=CNc2c(cccc2c3ccccc3O[S](F)(=O)=O)C1=O;c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)OS(=O)(=O)F","InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)","","2023-11-28","2024-09-27","(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2024-09-25"],["A1CG9","(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine","C18 H14 Br N3 O","Cc1ccccc1Nc1n2cccc(Br)c2nc1c1ccco1;Cc1ccccc1Nc2n3cccc(Br)c3nc2c4occc4;Cc1ccccc1Nc2c(nc3n2cccc3Br)c4ccco4","InChI=1S/C18H14BrN3O/c1-12-6-2-3-8-14(12)20-18-16(15-9-5-11-23-15)21-17-13(19)7-4-10-22(17)18/h2-11,20H,1H3","","2025-06-19","2025-07-25","(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine","2025-07-30"],["IW4","4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline","C14 H12 Br2 N2","Brc1cc(cc(Br)c1N)C=Cc2cccc(N)c2;Nc1cccc(C=Cc2cc(Br)c(N)c(Br)c2)c1;c1cc(cc(c1)N)C=Cc2cc(c(c(c2)Br)N)Br","InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+","","2009-08-12","2011-06-04","4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline",""],["IW5","4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline","C14 H12 Br2 N2","Brc1cc(cc(Br)c1N)C=Cc2ccc(N)cc2;Nc1ccc(cc1)C=Cc2cc(Br)c(N)c(Br)c2;c1cc(ccc1C=Cc2cc(c(c(c2)Br)N)Br)N","InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8H,17-18H2/b2-1+","","2009-08-12","2011-06-04","4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline",""],["YA6","N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide","C31 H25 F N6 O2 S","CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cccc(c1)CN1c2cc(F)ccc2Nc2ccccc2C1=O;CSc1[nH]c(c2cccc(CN3C(=O)c4ccccc4Nc5ccc(F)cc35)c2)c(n1)c6ccnc(NC(C)=O)c6;CC(=O)Nc1cc(ccn1)c2c([nH]c(n2)SC)c3cccc(c3)CN4c5cc(ccc5Nc6ccccc6C4=O)F","InChI=1S/C31H25FN6O2S/c1-18(39)34-27-15-21(12-13-33-27)29-28(36-31(37-29)41-2)20-7-5-6-19(14-20)17-38-26-16-22(32)10-11-25(26)35-24-9-4-3-8-23(24)30(38)40/h3-16,35H,17H2,1-2H3,(H,36,37)(H,33,34,39)","","2023-01-19","2024-01-12","N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide","2024-01-17"],["YA7","N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide","C26 H29 N5 O5 S","COc1ncc(cc1N[S](C)(=O)=O)c2cc(cc3C(=O)NCc23)c4ccnc(c4)N5C[CH](C)O[CH](C)C5;CC1CN(CC(O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C","InChI=1S/C26H29N5O5S/c1-15-13-31(14-16(2)36-15)24-10-17(5-6-27-24)18-7-20(22-12-28-25(32)21(22)8-18)19-9-23(30-37(4,33)34)26(35-3)29-11-19/h5-11,15-16,30H,12-14H2,1-4H3,(H,28,32)/t15-,16+","","2021-02-15","2022-02-11","~{N}-[5-[6-[2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyridin-4-yl]-1-oxidanylidene-2,3-dihydroisoindol-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide","2022-02-16"],["IW6","2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline","C16 H15 Br2 N O2","Brc1cc(cc(Br)c1N)C=Cc2c(OC)cccc2OC;COc1cccc(OC)c1C=Cc2cc(Br)c(N)c(Br)c2;COc1cccc(c1C=Cc2cc(c(c(c2)Br)N)Br)OC","InChI=1S/C16H15Br2NO2/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-9H,19H2,1-2H3/b7-6+","","2009-08-12","2011-06-04","2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline",""],["A1CGQ","[(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol","C9 H13 N O S","OCC1CNCC1c1ccsc1;OC[CH]1CNC[CH]1c2cscc2;c1cscc1C2CNCC2CO","InChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m0/s1","","2025-06-13","2025-10-31","[(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol","2025-11-05"],["A1CGR","N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea","C14 H20 N2 O4 S","O=C(NCC1CCOC1)NCc1ccc(cc1)S(C)(=O)=O;C[S](=O)(=O)c1ccc(CNC(=O)NC[CH]2CCOC2)cc1;CS(=O)(=O)c1ccc(cc1)CNC(=O)NCC2CCOC2","InChI=1S/C14H20N2O4S/c1-21(18,19)13-4-2-11(3-5-13)8-15-14(17)16-9-12-6-7-20-10-12/h2-5,12H,6-10H2,1H3,(H2,15,16,17)/t12-/m1/s1","","2025-06-13","2025-10-31","N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea","2025-11-05"],["IW7","2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID","C12 H18 N2 O6 S2","CCCCCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O;CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N","InChI=1S/C12H18N2O6S2/c1-2-3-4-7-14-22(19,20)11-8-9(21(13,17)18)5-6-10(11)12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)(H2,13,17,18)","","2015-03-10","2015-04-03","2-(pentylsulfamoyl)-4-sulfamoyl-benzoic acid","2015-04-08"],["YA8","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone","C26 H22 Br N5 O2","Brc1ccc2cc(ccc2c1)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1;Brc1ccc2cc(ccc2c1)C(=O)N3C[CH]4[CH](C3)[CH]5CN(C[CH]45)C(=O)c6ccc7[nH]nnc7c6;c1cc(cc2c1cc(cc2)Br)C(=O)N3CC4C(C3)C5C4CN(C5)C(=O)c6ccc7c(c6)nn[nH]7","InChI=1S/C26H22BrN5O2/c27-18-5-3-14-7-16(2-1-15(14)8-18)25(33)31-10-19-20(11-31)22-13-32(12-21(19)22)26(34)17-4-6-23-24(9-17)29-30-28-23/h1-9,19-22H,10-13H2,(H,28,29,30)/t19-,20+,21+,22-","","2023-06-12","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone","2024-12-18"],["A1CGS","2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine","C11 H16 Cl N O","Cc1cc(OCCNCC)ccc1Cl;CCNCCOc1ccc(Cl)c(C)c1;CCNCCOc1ccc(c(c1)C)Cl","InChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3","","2025-06-13","2025-10-31","2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine","2025-11-05"],["IW8","1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide","C25 H28 Br N3 O4 S","O=S(=O)(c2cc1n(C(=O)C)ccc1cc2Br)N4CCC(C(=O)N(c3cc(ccc3)C)CC)CC4;CCN(C(=O)C1CCN(CC1)[S](=O)(=O)c2cc3n(ccc3cc2Br)C(C)=O)c4cccc(C)c4;CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br","InChI=1S/C25H28BrN3O4S/c1-4-28(21-7-5-6-17(2)14-21)25(31)19-8-11-27(12-9-19)34(32,33)24-16-23-20(15-22(24)26)10-13-29(23)18(3)30/h5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3","","2014-06-17","2015-05-15","1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide","2015-05-20"],["YA9","4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid","C32 H24 N6 O6 S2","Nc1c(cc(c2ccccc12)[S](O)(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](O)(=O)=O;c1ccc2c(c1)c(cc(c2N)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36+","","2023-11-28","2024-12-03","4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid","2024-09-11"],["YAA","N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide","C31 H25 N7 O3 S","CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cc(ccc1)NC(=O)c1cccc2Nc3ccccc3C(=O)Nc12;CSc1[nH]c(c2cccc(NC(=O)c3cccc4Nc5ccccc5C(=O)Nc34)c2)c(n1)c6ccnc(NC(C)=O)c6;CC(=O)Nc1cc(ccn1)c2c([nH]c(n2)SC)c3cccc(c3)NC(=O)c4cccc5c4NC(=O)c6ccccc6N5","InChI=1S/C31H25N7O3S/c1-17(39)33-25-16-19(13-14-32-25)27-26(37-31(38-27)42-2)18-7-5-8-20(15-18)34-30(41)22-10-6-12-24-28(22)36-29(40)21-9-3-4-11-23(21)35-24/h3-16,35H,1-2H3,(H,34,41)(H,36,40)(H,37,38)(H,32,33,39)","","2023-01-19","2024-01-12","N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide","2024-01-17"],["IW9","5-butoxy-4-ethoxypyrimidin-2-amine","C10 H17 N3 O2","Nc1nc(OCC)c(cn1)OCCCC;CCCCOc1cnc(N)nc1OCC;CCCCOc1cnc(nc1OCC)N","InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13)","","2022-02-01","2022-10-07","5-butoxy-4-ethoxypyrimidin-2-amine","2022-10-12"],["A1CGV","2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine","C17 H21 N O2","CCNCCOc1ccc(cc1)OCc1ccccc1;CCNCCOc1ccc(OCc2ccccc2)cc1;CCNCCOc1ccc(cc1)OCc2ccccc2","InChI=1S/C17H21NO2/c1-2-18-12-13-19-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3","","2025-06-13","2025-10-31","2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine","2025-11-05"],["YAB","(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine","C18 H19 Cl N4 O","Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21;Cc1cc(NC[CH]2CCCO2)n3ncc(c4ccc(Cl)cc4)c3n1;Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)Cl)NCC4CCCO4","InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3","","2023-06-12","2024-12-13","(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine","2024-12-18"],["A1CGW","5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine","C11 H7 Cl2 N3 S2","Clc1cnc(s1)CNc1cc2sncc2cc1Cl;Clc1sc(CNc2cc3sncc3cc2Cl)nc1;c1c2cnsc2cc(c1Cl)NCc3ncc(s3)Cl","InChI=1S/C11H7Cl2N3S2/c12-7-1-6-3-16-18-9(6)2-8(7)14-5-11-15-4-10(13)17-11/h1-4,14H,5H2","","2025-06-16","2026-01-02","5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine","2026-01-07"],["IWA","(2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid","C25 H24 N8 O5 S","CN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Sc4[nH]c5cc(NC(=O)CC[CH](N)C(O)=O)ccc5n4)nc12;CN1c2c(n(c(n2)Sc3[nH]c4cc(ccc4n3)NC(=O)CCC(C(=O)O)N)Cc5ccccc5)C(=O)NC1=O","InChI=1S/C25H24N8O5S/c1-32-20-19(21(35)31-24(32)38)33(12-13-5-3-2-4-6-13)25(30-20)39-23-28-16-9-7-14(11-17(16)29-23)27-18(34)10-8-15(26)22(36)37/h2-7,9,11,15H,8,10,12,26H2,1H3,(H,27,34)(H,28,29)(H,36,37)(H,31,35,38)/t15-/m1/s1","","2022-04-14","2022-09-02","(2~{R})-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid","2022-09-07"],["A1CGZ","Tigogenin","C27 H44 O3","CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)CO2;C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1","InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1","","2025-06-16","2026-01-15","(10xi,22xi,25R)-5beta,13xi,14beta,17beta-spirostan-3beta-ol","2026-01-07"],["IWB","methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate","C25 H24 N2 O5","COC(=O)c1ccc(cc1)[CH]2N(CCc3c(C)[nH]c4ccccc34)C(=O)C(=C2C(C)=O)O;Cc1c(c2ccccc2[nH]1)CCN3C(C(=C(C3=O)O)C(=O)C)c4ccc(cc4)C(=O)OC","InChI=1S/C25H24N2O5/c1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h4-11,22,26,29H,12-13H2,1-3H3/t22-/m1/s1","","2022-07-21","2022-12-02","methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate","2022-12-07"],["YAC","(4Z)-6-oxo-6-phenylhex-4-enoic acid","C12 H12 O3","O=C(C=C/CCC(=O)O)c1ccccc1;OC(=O)CCC=CC(=O)c1ccccc1;c1ccc(cc1)C(=O)C=CCCC(=O)O","InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-","","2014-10-02","2024-09-27","(4Z)-6-oxo-6-phenylhex-4-enoic acid","2014-12-03"],["YAD","(phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate","C24 H25 N5 O5","OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccncc4;c1ccc(cc1)COC(=O)N2CCCC2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4","InChI=1S/C24H25N5O5/c30-20-19(22(31)26-13-10-16-8-11-25-12-9-16)27-21(28-23(20)32)18-7-4-14-29(18)24(33)34-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,18,30H,4,7,10,13-15H2,(H,26,31)(H,27,28,32)/t18-/m0/s1","","2021-02-15","2022-02-11","(phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate","2022-02-16"],["IWC","2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline","C20 H20 N4","Cc1nc(nc(c1)N1CCCC1)/C=C/c1ccc2ccccc2n1;Cc1cc(nc(C=Cc2ccc3ccccc3n2)n1)N4CCCC4;Cc1cc(nc(n1)C=Cc2ccc3ccccc3n2)N4CCCC4","InChI=1S/C20H20N4/c1-15-14-20(24-12-4-5-13-24)23-19(21-15)11-10-17-9-8-16-6-2-3-7-18(16)22-17/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-10+","","2022-02-01","2022-10-07","2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline","2022-10-12"],["A1CH2","(4S)-7-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-methyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one","C21 H21 F2 N5 O3","FC1(F)CCN(CC1)C(=O)c1ccc2c(c1)OCCN2C1=CC2=NN(C)C(=O)N2C=C1;CN1N=C2C=C(C=CN2C1=O)N3CCOc4cc(ccc34)C(=O)N5CCC(F)(F)CC5;CN1C(=O)N2C=CC(=CC2=N1)N3CCOc4c3ccc(c4)C(=O)N5CCC(CC5)(F)F","InChI=1S/C21H21F2N5O3/c1-25-20(30)28-7-4-15(13-18(28)24-25)27-10-11-31-17-12-14(2-3-16(17)27)19(29)26-8-5-21(22,23)6-9-26/h2-4,7,12-13H,5-6,8-11H2,1H3","","2025-07-07","2025-09-05","(4S)-7-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-methyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one","2025-09-10"],["IWD","2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID","C7 H8 I N3 O4","O=C(O)C(N)CN1C=C(I)C(=O)NC1=O;N[CH](CN1C=C(I)C(=O)NC1=O)C(O)=O;C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)I","InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1","IODO-WILLARDIINE","2002-09-18","2021-03-01","3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",""],["YAE","(E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine","C14 H21 N2 O7 P S","Oc1c(/C=N/C(CCSCC)C(=O)O)c(cnc1C)COP(=O)(O)O;CCSCC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCSCCC(C(=O)O)N=Cc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C14H21N2O7PS/c1-3-25-5-4-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6-7,12,17H,3-5,8H2,1-2H3,(H,18,19)(H2,20,21,22)","","2023-11-29","2023-12-08","(E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine","2023-12-13"],["A1CH6","(5M)-5-{2-[(1S)-2-(3,5-difluorophenyl)-1-{2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamido}ethyl]pyridin-3-yl}-2-fluorobenzamide","C30 H21 F8 N5 O2","NC(=O)c1cc(ccc1F)c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2c1C(F)(F)C1CC12)C(F)(F)F;NC(=O)c1cc(ccc1F)c2cccnc2[CH](Cc3cc(F)cc(F)c3)NC(=O)Cn4nc(c5[CH]6C[CH]6C(F)(F)c45)C(F)(F)F;c1cc(c(nc1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c(c6)C(=O)N)F","InChI=1S/C30H21F8N5O2/c31-15-6-13(7-16(32)10-15)8-22(25-17(2-1-5-40-25)14-3-4-21(33)19(9-14)28(39)45)41-23(44)12-43-27-24(26(42-43)30(36,37)38)18-11-20(18)29(27,34)35/h1-7,9-10,18,20,22H,8,11-12H2,(H2,39,45)(H,41,44)/t18-,20+,22-/m0/s1","","2025-07-09","2025-10-03","(5M)-5-{2-[(1S)-2-(3,5-difluorophenyl)-1-{2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamido}ethyl]pyridin-3-yl}-2-fluorobenzamide","2025-10-08"],["YAF","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-[3-(dimethylcarbamoyl)phenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C39 H48 N10 O17 P2","CN(C)C(=O)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O)C123;CN(C)C(=O)c1cccc(c1)[CH]2C[CH](O)N3c4cc(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)C8=NC(=O)NC(=O)[C]238;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8)C(=O)N(C)C)O","InChI=1S/C39H48N10O17P2/c1-17-8-22-23(9-18(17)2)49-27(52)11-21(19-6-5-7-20(10-19)34(56)46(3)4)39(49)36(44-38(58)45-37(39)57)47(22)12-24(50)29(53)25(51)13-63-67(59,60)66-68(61,62)64-14-26-30(54)31(55)35(65-26)48-16-43-28-32(40)41-15-42-33(28)48/h5-10,15-16,21,24-27,29-31,35,50-55H,11-14H2,1-4H3,(H,59,60)(H,61,62)(H2,40,41,42)(H,45,57,58)/t21-,24-,25+,26+,27+,29-,30+,31+,35+,39-/m0/s1","","2023-01-19","2024-08-02","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-[3-(dimethylcarbamoyl)phenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2024-08-07"],["IWE","Azosemide","C12 H11 Cl N6 O2 S2","N[S](=O)(=O)c1cc(c(NCc2sccc2)cc1Cl)c3[nH]nnn3;c1cc(sc1)CNc2cc(c(cc2c3[nH]nnn3)S(=O)(=O)N)Cl","InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)","2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide","2022-04-14","2023-04-21","2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide","2023-04-26"],["IWF","2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine","C14 H14 Cl N5 O","CNc1nc(Cl)nc2n(Cc3ccccc3OC)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3OC","InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)","","2023-08-03","2023-12-01","2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine","2023-12-06"],["YAG","4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol","C17 H22 N2 O3 S","COc1cccc(c1)c2sc(CN3CCC(O)(CO)CC3)cn2;COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O","InChI=1S/C17H22N2O3S/c1-22-14-4-2-3-13(9-14)16-18-10-15(23-16)11-19-7-5-17(21,12-20)6-8-19/h2-4,9-10,20-21H,5-8,11-12H2,1H3","","2021-02-15","2021-08-27","4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol","2021-09-01"],["IWG","5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole","C12 H7 Cl N2 O S","Clc1ccc(Oc2cnns2)c2ccccc21;Clc1ccc(Oc2snnc2)c3ccccc13;c1ccc2c(c1)c(ccc2Cl)Oc3cnns3","InChI=1S/C12H7ClN2OS/c13-10-5-6-11(16-12-7-14-15-17-12)9-4-2-1-3-8(9)10/h1-7H","","2022-02-01","2022-10-07","5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole","2022-10-12"],["YAI","4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide","C24 H26 F3 N7 O4 S","NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCN(CC3)C(=O)c4ccc(cc4)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N)C(F)(F)F","InChI=1S/C24H26F3N7O4S/c1-16-29-31-34(30-16)15-19-14-20(24(25,26)27)6-2-17(19)5-9-22(35)32-10-12-33(13-11-32)23(36)18-3-7-21(8-4-18)39(28,37)38/h2-4,6-8,14H,5,9-13,15H2,1H3,(H2,28,37,38)","","2023-06-12","2024-12-13","4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide","2024-12-18"],["A1CHO","(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol","C24 H27 N5 O3","Nc1nc2cc(CCC3CC(C(O)C3O)n3ccc4cncnc43)c(CCO)cc2cc1;Nc1ccc2cc(CCO)c(CC[CH]3C[CH]([CH](O)[CH]3O)n4ccc5cncnc45)cc2n1;c1cc(nc2c1cc(c(c2)CCC3CC(C(C3O)O)n4ccc5c4ncnc5)CCO)N","InChI=1S/C24H27N5O3/c25-21-4-3-16-9-15(6-8-30)14(10-19(16)28-21)1-2-17-11-20(23(32)22(17)31)29-7-5-18-12-26-13-27-24(18)29/h3-5,7,9-10,12-13,17,20,22-23,30-32H,1-2,6,8,11H2,(H2,25,28)/t17-,20+,22+,23-/m0/s1","","2025-06-30","2025-09-05","(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol","2025-09-10"],["IWH","1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","C15 H16 N2 O2","O=C(C1=CN(C(=O)C=C1)Cc2c(cc(cc2)C)C)N;Cc1ccc(CN2C=C(C=CC2=O)C(N)=O)c(C)c1;Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N","InChI=1S/C15H16N2O2/c1-10-3-4-12(11(2)7-10)8-17-9-13(15(16)19)5-6-14(17)18/h3-7,9H,8H2,1-2H3,(H2,16,19)","","2010-11-19","2011-06-04","1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide",""],["YAJ","~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide","C16 H21 N3 O4","CN1C[CH](C[CH]1CO)NC(=O)Cc2ccc3OCC(=O)Nc3c2;CN1CC(CC1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3","InChI=1S/C16H21N3O4/c1-19-7-11(6-12(19)8-20)17-15(21)5-10-2-3-14-13(4-10)18-16(22)9-23-14/h2-4,11-12,20H,5-9H2,1H3,(H,17,21)(H,18,22)/t11-,12+/m1/s1","","2021-02-15","2021-08-27","~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide","2021-09-01"],["A1CHR","(10R,12S)-10,12-dimethyltetradecanoic acid","C16 H32 O2","O=C(O)CCCCCCCCC(C)CC(C)CC;CC[CH](C)C[CH](C)CCCCCCCCC(O)=O;CCC(C)CC(C)CCCCCCCCC(=O)O","InChI=1S/C16H32O2/c1-4-14(2)13-15(3)11-9-7-5-6-8-10-12-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)/t14-,15+/m0/s1","","2025-07-02","2026-04-17","(10R,12S)-10,12-dimethyltetradecanoic acid","2026-04-22"],["YAK","N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","C23 H23 F N4 O6 S2","Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)C5CCCC45;C[S](=O)(=O)Nc1ccc2N=C(N[S](=O)(=O)c2c1)C3=C(O)[CH]4CCC[CH]4N(Cc5ccc(F)cc5)C3=O;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C(C4CCCC4N(C3=O)Cc5ccc(cc5)F)O","InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,26,29H,2-4,12H2,1H3,(H,25,27)/t16-,18+/m1/s1","","2009-04-17","2011-06-04","N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["IWI","2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid","C11 H8 Cl N O2 S","O=C(O)c1csc(Cc2cc(Cl)ccc2)n1;OC(=O)c1csc(Cc2cccc(Cl)c2)n1;c1cc(cc(c1)Cl)Cc2nc(cs2)C(=O)O","InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15)","","2023-05-05","2023-06-09","2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid","2023-06-14"],["A1CHU","(3R)-3-hydroxy-L-ornithine","C5 H12 N2 O3","OC(=O)C(N)C(O)CCN;NCC[CH](O)[CH](N)C(O)=O;C(CN)C(C(C(=O)O)N)O","InChI=1S/C5H12N2O3/c6-2-1-3(8)4(7)5(9)10/h3-4,8H,1-2,6-7H2,(H,9,10)/t3-,4+/m1/s1","","2025-07-02","2026-04-17","(3R)-3-hydroxy-L-ornithine","2026-04-22"],["IWJ","(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one","C40 H56 O4","CC(=CC=CC=C(C)C=CC=C(C)C(=O)C[C]1(O)C(=C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C;CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC2(C(=C)CC(CC2(C)C)O)O)C)C)(C)C)O","InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40+/m0/s1","Prasinoxanthin","2022-07-21","2023-04-21","(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one","2023-04-26"],["YAL","(4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid","C28 H37 Cl N2 O4","Cc1ccc(NC(=O)C[CH](CCC(O)=O)c2noc([CH]3C[CH](C3)CC(C)(C)C)c2C4CC4)c(Cl)c1;Cc1ccc(c(c1)Cl)NC(=O)CC(CCC(=O)O)c2c(c(on2)C3CC(C3)CC(C)(C)C)C4CC4","InChI=1S/C28H37ClN2O4/c1-16-5-9-22(21(29)11-16)30-23(32)14-19(8-10-24(33)34)26-25(18-6-7-18)27(35-31-26)20-12-17(13-20)15-28(2,3)4/h5,9,11,17-20H,6-8,10,12-15H2,1-4H3,(H,30,32)(H,33,34)/t17-,19-,20+/m0/s1","","2023-11-28","2024-11-22","(4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid","2024-11-27"],["YAM","N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide","C21 H20 F3 N7 O3 S","O=S(=O)(N(c1ncccc1CNc2nc(ncc2C(F)(F)F)Nc3cc4c(cc3)NC(=O)C4)C)C;CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O;CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C","InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)","","2008-01-22","2011-06-04","N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide",""],["IWK","4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","C18 H21 N9 O3","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)N1CCOCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc4nc(nn4cn3)N5CCOCC5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cc4nc(nn4cn3)N5CCOCC5","InChI=1S/C18H21N9O3/c1-24-15(12(10-20-24)17(29)25-3-2-4-25)16(28)21-13-9-14-22-18(23-27(14)11-19-13)26-5-7-30-8-6-26/h9-11H,2-8H2,1H3,(H,21,28)","","2022-02-01","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["YAN","1,2-DICHLOROBENZENE","C6 H4 Cl2","Clc1ccccc1Cl;Clc1ccccc1Cl;c1ccc(c(c1)Cl)Cl","InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H","","2007-02-12","2011-06-04","1,2-dichlorobenzene",""],["A1CI8","(6R)-6-phenyl-1,3-thiazinane-2,4-dione","C10 H9 N O2 S","O=C1NC(=O)CC(S1)c1ccccc1;O=C1C[CH](SC(=O)N1)c2ccccc2;c1ccc(cc1)C2CC(=O)NC(=O)S2","InChI=1S/C10H9NO2S/c12-9-6-8(14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1","","2025-07-23","2025-11-21","(6R)-6-phenyl-1,3-thiazinane-2,4-dione","2025-11-26"],["IWL","W11-O35 cluster","O35 W11","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[W]O[W]1O[W]23(O1)O[W]4O[W]56O[W]78O[W]9(O7)O[W]%10%11O[W]%12(O[W]%13(O5)[O]24[W](O%10)([O]9%11%12)[O]68%13)O3;[O][W]1(O[W]2(O1[W]345(O2[W]678(O391[W]2(O4)(O6[W]34(O2[W]9269O73[W]3(O4)(O2[W]2(O3)(O63[W]1(O5)(O8)(O[W]3(O2)(O9)([O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])[O])[O])([O])([O])[O])[O]","InChI=1S/18H2O.17O.11W/h18*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;6*+2;+3/p-18","","2022-04-14","2022-08-22","","2022-07-13"],["YAO","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C43 H48 N10 O17 P2","O=C(Nc1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O)C123)c1ccccc1;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8cccc(NC(=O)c9ccccc9)c8;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8)NC(=O)c9ccccc9)O","InChI=1S/C43H48N10O17P2/c1-20-11-26-27(12-21(20)2)53-31(56)14-25(23-9-6-10-24(13-23)48-38(60)22-7-4-3-5-8-22)43(53)40(49-42(62)50-41(43)61)51(26)15-28(54)33(57)29(55)16-67-71(63,64)70-72(65,66)68-17-30-34(58)35(59)39(69-30)52-19-47-32-36(44)45-18-46-37(32)52/h3-13,18-19,25,28-31,33-35,39,54-59H,14-17H2,1-2H3,(H,48,60)(H,63,64)(H,65,66)(H2,44,45,46)(H,50,61,62)/t25-,28-,29+,30+,31+,33-,34+,35+,39+,43-/m0/s1","","2023-01-20","2024-08-02","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2024-08-07"],["IWM","9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine","C14 H12 Cl F2 N5","CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3C(F)F","InChI=1S/C14H12ClF2N5/c1-18-12-10-13(21-14(15)20-12)22(7-19-10)6-8-4-2-3-5-9(8)11(16)17/h2-5,7,11H,6H2,1H3,(H,18,20,21)","","2023-08-03","2023-12-01","9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine","2023-12-06"],["IWN","4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C19 H18 N6 O2","COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4;Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4","InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26)","","2022-02-01","2022-10-07","4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["A1CIF","(3R,4R)-4-({(4M)-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzimidazol-6-yl]pyrimidin-2-yl}amino)-1-(methanesulfonyl)piperidin-3-ol","C21 H26 F2 N6 O3 S","OC1CN(CCC1Nc1nc(c2cc(F)c3nc(C)n(C(C)C)c3c2)c(F)cn1)S(=O)(C)=O;CC(C)n1c(C)nc2c(F)cc(cc12)c3nc(N[CH]4CCN(C[CH]4O)[S](C)(=O)=O)ncc3F;Cc1nc2c(n1C(C)C)cc(cc2F)c3c(cnc(n3)NC4CCN(CC4O)S(=O)(=O)C)F","InChI=1S/C21H26F2N6O3S/c1-11(2)29-12(3)25-20-14(22)7-13(8-17(20)29)19-15(23)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1","","2025-07-14","2025-12-12","(3R,4R)-4-({(4M)-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzimidazol-6-yl]pyrimidin-2-yl}amino)-1-(methanesulfonyl)piperidin-3-ol","2025-12-17"],["YAP","5'-O-[(R)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine","C19 H23 N6 O9 P","C(=O)(C(N)Cc1ccc(O)cc1)OP(=O)(O)OCC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O;N[CH](Cc1ccc(O)cc1)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cc(ccc1CC(C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O","InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1","","2011-09-07","2015-03-05","5'-O-[(R)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["IWO","W8-O26 cluster","O26 W8","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]45O[W][O]24[W]6(O[W]7O[W]18O[W][O]678)(O3)O5;[O][W]12(O[W]34(O15[W]67(O3[W](O4)(O6[W]89(O713[W]54(O8)(O2[W]1(O[W]3(O9)(O4)([O])[O])([O])[O])[O])([O])[O])([O])([O])[O])[O])([O])[O])[O]","InChI=1S/15H2O.11O.8W/h15*1H2;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;5*+2;+3/p-15","","2022-04-14","2022-08-22","1,3,5,5,7,7,7,9,9,11,11,13,15,15-tetradecakis($l^{1}-oxidanyl)-2$l^{5},4$l^{4},6$l^{3},8$l^{3},10,12,14,16$l^{3},17,18,19,20-dodecaoxa-1$l^{6},3$l^{5},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{5},15$l^{6}-octatungstatridecacyclo[7.7.1.1^{1,11}.1^{5,7}.1^{5,15}.0^{1,4}.0^{2,9}.0^{2,11}.0^{2,13}.0^{3,6}.0^{3,8}.0^{4,15}.0^{13,16}]icosane","2022-07-13"],["YAQ","(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one","C18 H20 Cl N3 O","Clc1ccc(cc1)c1cn2c(n1)N(CCCCC)C(C)=CC2=O;CCCCCN1C(=CC(=O)n2cc(nc12)c3ccc(Cl)cc3)C;CCCCCN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl","InChI=1S/C18H20ClN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3","","2023-06-12","2024-12-13","(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one","2024-12-18"],["A1CIL","(2R)-2-amino-3-methylbut-3-enoic acid","C5 H9 N O2","C=C(C)C(N)C(=O)O;CC(=C)[CH](N)C(O)=O;CC(=C)C(C(=O)O)N","InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h4H,1,6H2,2H3,(H,7,8)/t4-/m1/s1","","2025-07-14","2025-12-19","(2R)-2-amino-3-methylbut-3-enoic acid","2025-12-24"],["YAR","(2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid","C14 H21 N2 O7 P S","O=C(O)C(CCSCC)=NC=C1/C(O)=C(C)NC=C1COP(=O)(O)O;CCSCCC(=NC=C1C(=C(C)NC=C1CO[P](O)(O)=O)O)C(O)=O;CCSCCC(=NC=C1C(=CNC(=C1O)C)COP(=O)(O)O)C(=O)O","InChI=1S/C14H21N2O7PS/c1-3-25-5-4-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6-7,15,17H,3-5,8H2,1-2H3,(H,18,19)(H2,20,21,22)/b11-7-,16-12+","","2023-11-29","2023-12-08","(2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid","2023-12-13"],["IWP","5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol","C17 H11 F2 N5 O2","c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F;Oc1nc(ncc1F)c2cc(n(Cc3ccccc3F)n2)c4ccon4;c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F","InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25)","","2020-04-29","2020-07-17","5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol","2020-07-22"],["A1CIO","N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea","C19 H13 Br F3 N5 O S","Brc1ccc(cc1)c1nc([NH]c1)CNC(=O)Nc1nc2ccc(cc2s1)C(F)(F)F;FC(F)(F)c1ccc2nc(NC(=O)NCc3[nH]cc(n3)c4ccc(Br)cc4)sc2c1;c1cc(ccc1c2c[nH]c(n2)CNC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F)Br","InChI=1S/C19H13BrF3N5OS/c20-12-4-1-10(2-5-12)14-8-24-16(26-14)9-25-17(29)28-18-27-13-6-3-11(19(21,22)23)7-15(13)30-18/h1-8H,9H2,(H,24,26)(H2,25,27,28,29)","","2025-07-15","2026-01-23","N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea","2026-01-28"],["A1CIU","N-(5-methylnaphthalen-1-yl)pyridin-4-amine","C16 H14 N2","Cc1cccc2c(cccc21)Nc1ccncc1;Cc1cccc2c(Nc3ccncc3)cccc12;Cc1cccc2c1cccc2Nc3ccncc3","InChI=1S/C16H14N2/c1-12-4-2-6-15-14(12)5-3-7-16(15)18-13-8-10-17-11-9-13/h2-11H,1H3,(H,17,18)","","2025-07-16","2025-07-25","N-(5-methylnaphthalen-1-yl)pyridin-4-amine","2025-07-30"],["IWQ","(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid","C32 H35 N9 O8","NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCCCNC(=O)OCc4ccccc4)C(O)=O;c1ccc(cc1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)N=C(NC4=O)N","InChI=1S/C32H35N9O8/c33-31-40-26-25(29(45)41-31)35-16-23(38-26)27(43)36-17-24(42)37-22(15-19-9-3-1-4-10-19)28(44)39-21(30(46)47)13-7-8-14-34-32(48)49-18-20-11-5-2-6-12-20/h1-6,9-12,16,21-22H,7-8,13-15,17-18H2,(H,34,48)(H,36,43)(H,37,42)(H,39,44)(H,46,47)(H3,33,38,40,41,45)/t21-,22-/m0/s1","","2022-07-27","2022-11-11","(2~{S})-2-[[(2~{S})-2-[2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid","2022-11-16"],["YAS","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate","C25 H42 N7 O17 P3 S","CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24+/m0/s1","Butyryl-CoA","2018-12-06","2021-03-01","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate","2020-03-18"],["YAT","emetine","C29 H40 N2 O4","COc1cc2CCNC(CC3CC4c5cc(OC)c(OC)cc5CCN4CC3CC)c2cc1OC;CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(OC)c(OC)cc45;CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)OC)OC)OC)OC","InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1","(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine","2023-01-20","2024-01-19","(5S)-6',7',10,11-tetramethoxyemetan","2024-01-24"],["A1CIW","darifenacin","C28 H30 N2 O2","NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1cc2CCOc2cc1;NC(=O)C([CH]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5;c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N","InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1","2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide","2025-07-18","2025-09-12","2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide","2025-09-17"],["IWR","4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide","C25 H19 N3 O3","O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O;O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[CH]5[CH]6C[CH](C=C6)[CH]5C4=O;c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)C5C6CC(C5C4=O)C=C6","InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+","4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0{2,6}]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide","2011-11-03","2021-03-13","4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide",""],["IWS","(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one","C10 H7 N3 O","O=C1Nc2ccccc2c2nccn21;O=C1Nc2ccccc2c3nccn13;c1ccc2c(c1)-c3nccn3C(=O)N2","InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14)","","2022-02-01","2022-10-07","(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one","2022-10-12"],["A1CIZ","(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole","C14 H16 N2","Cn1ccc2ccc(cc21)C1=CCCNC1;Cn1ccc2ccc(cc12)C3=CCCNC3;Cn1ccc2c1cc(cc2)C3=CCCNC3","InChI=1S/C14H16N2/c1-16-8-6-11-4-5-12(9-14(11)16)13-3-2-7-15-10-13/h3-6,8-9,15H,2,7,10H2,1H3","","2025-07-22","2025-08-15","(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole","2025-08-20"],["YAU","N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide","C29 H29 Cl2 F N2 O4","O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1)c2)C(CO)C3)CC(O)Cc4ccc(Cl)cc4;OC[CH]1CN(C[CH]1c2ccc(Cl)c(NC(=O)Cc3ccc(F)cc3)c2)C(=O)C[CH](O)Cc4ccc(Cl)cc4;c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl","InChI=1S/C29H29Cl2FN2O4/c30-22-6-1-18(2-7-22)11-24(36)14-29(38)34-15-21(17-35)25(16-34)20-5-10-26(31)27(13-20)33-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,35-36H,11-12,14-17H2,(H,33,37)/t21-,24-,25-/m1/s1","","2014-04-14","2014-09-26","N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide","2014-10-01"],["IWT","5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL","C8 H6 N2 O S","Sc1oc(nn1)c2ccccc2;c1ccc(cc1)c2nnc(o2)S","InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)","","2015-12-02","2015-12-11","5-phenyl-1,3,4-oxadiazole-2-thiol","2015-12-16"],["YAV","2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid","C46 H40 N2 O10","Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O","InChI=1S/C46H40N2O10/c1-29-9-13-39-35(23-29)37(27-43(49)50)41(57-39)15-11-31-5-3-7-33(25-31)45(53)47-17-19-55-21-22-56-20-18-48-46(54)34-8-4-6-32(26-34)12-16-42-38(28-44(51)52)36-24-30(2)10-14-40(36)58-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)","","2021-02-15","2022-02-18","2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid","2022-02-23"],["A1CJ8","(3S)-3-(pyridin-3-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C15 H13 N5 O3","O=C(O)CC(NC(=O)c1ncnc2[NH]ccc12)c1cccnc1;OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3cccnc3;c1cc(cnc1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2","InChI=1S/C15H13N5O3/c21-12(22)6-11(9-2-1-4-16-7-9)20-15(23)13-10-3-5-17-14(10)19-8-18-13/h1-5,7-8,11H,6H2,(H,20,23)(H,21,22)(H,17,18,19)/t11-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-(pyridin-3-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["IWU","6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine","C5 H3 Br N4","Brc1cnc2[nH]nnc2c1;c1c(cnc2c1nn[nH]2)Br","InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)","","2022-04-14","2022-11-04","6-bromanyl-3~{H}-[1,2,3]triazolo[4,5-b]pyridine","2022-11-09"],["YAW","3-fluoro-4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]benzene-1-sulfonamide","C23 H25 F4 N7 O3 S","NS(=O)(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCN(CC3)c4ccc(cc4F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCN(CC3)c4ccc(cc4F)S(=O)(=O)N)C(F)(F)F","InChI=1S/C23H25F4N7O3S/c1-15-29-31-34(30-15)14-17-12-18(23(25,26)27)4-2-16(17)3-7-22(35)33-10-8-32(9-11-33)21-6-5-19(13-20(21)24)38(28,36)37/h2,4-6,12-13H,3,7-11,14H2,1H3,(H2,28,36,37)","","2023-06-12","2024-12-13","3-fluoro-4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]benzene-1-sulfonamide","2024-12-18"],["A1CJB","(3S)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C16 H13 Br N4 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Br)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Br","InChI=1S/C16H13BrN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1","","2025-07-23","2025-09-12","(3S)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["YAX","2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide","C47 H51 Cl N10 O4 S","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCOc4ccc5nc([nH]c5c4)[CH]6CC[CH](CC6)NC(=O)CNCc7[nH]c8ccccc8c7)N=C(c9ccc(Cl)cc9)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOc4ccc5c(c4)[nH]c(n5)C6CCC(CC6)NC(=O)CNCc7cc8ccccc8[nH]7)c9ccc(cc9)Cl)C","InChI=1S/C47H51ClN10O4S/c1-27-28(2)63-47-43(27)44(30-8-12-33(48)13-9-30)53-40(46-57-56-29(3)58(46)47)24-41(59)50-18-19-61-20-21-62-36-16-17-38-39(23-36)55-45(54-38)31-10-14-34(15-11-31)52-42(60)26-49-25-35-22-32-6-4-5-7-37(32)51-35/h4-9,12-13,16-17,22-23,31,34,40,49,51H,10-11,14-15,18-21,24-26H2,1-3H3,(H,50,59)(H,52,60)(H,54,55)/t31-,34+,40-/m0/s1","","2023-11-28","2025-03-21","2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide","2025-03-26"],["IWV","~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide","C15 H12 Cl F3 N6 O","CNc1nc(Cl)nc2n(Cc3ccccc3NC(=O)C(F)(F)F)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3NC(=O)C(F)(F)F","InChI=1S/C15H12ClF3N6O/c1-20-11-10-12(24-14(16)23-11)25(7-21-10)6-8-4-2-3-5-9(8)22-13(26)15(17,18)19/h2-5,7H,6H2,1H3,(H,22,26)(H,20,23,24)","","2023-08-03","2023-12-01","~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide","2023-12-06"],["A1CJE","(3R)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C17 H15 Br N4 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cc(C)c12;Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O)c3ccc(Br)cc3)c12;Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(=O)O)c3ccc(cc3)Br","InChI=1S/C17H15BrN4O3/c1-9-7-19-16-14(9)15(20-8-21-16)17(25)22-12(6-13(23)24)10-2-4-11(18)5-3-10/h2-5,7-8,12H,6H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t12-/m1/s1","","2025-07-24","2025-09-12","(3R)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["IWW","[(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid","C14 H12 B2 Cl2 O4","c1(cc(c(cc1)C=Cc2ccc(cc2Cl)B(O)O)Cl)B(O)O;OB(O)c1ccc(C=Cc2ccc(cc2Cl)B(O)O)c(Cl)c1;B(c1ccc(c(c1)Cl)C=Cc2ccc(cc2Cl)B(O)O)(O)O","InChI=1S/C14H12B2Cl2O4/c17-13-7-11(15(19)20)5-3-9(13)1-2-10-4-6-12(16(21)22)8-14(10)18/h1-8,19-22H/b2-1+","","2016-12-07","2024-09-27","[(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid","2017-09-27"],["YAZ","(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid","C9 H7 Cl O3","C(=O)(O)C=Cc1cc(Cl)c(cc1)O;OC(=O)C=Cc1ccc(O)c(Cl)c1;c1cc(c(cc1C=CC(=O)O)Cl)O","InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+","","2018-09-19","2024-09-27","(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid","2019-05-29"],["A1CJF","(3S)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C17 H15 Br N4 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cc(C)c12;Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O)c3ccc(Br)cc3)c12;Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(=O)O)c3ccc(cc3)Br","InChI=1S/C17H15BrN4O3/c1-9-7-19-16-14(9)15(20-8-21-16)17(25)22-12(6-13(23)24)10-2-4-11(18)5-3-10/h2-5,7-8,12H,6H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t12-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["A1CJQ","N-{3-[3-({(2S)-1-[4-(benzyloxy)-3-fluorophenyl]-3-hydroxypropan-2-yl}amino)-3-oxoprop-1-yn-1-yl]phenyl}-5-methyl-1,2-oxazole-3-carboxamide","C30 H26 F N3 O5","Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)NC(Cc2ccc(OCc3ccccc3)c(F)c2)CO)ccc1;Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[CH](CO)Cc3ccc(OCc4ccccc4)c(F)c3;Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3ccc(c(c3)F)OCc4ccccc4)CO","InChI=1S/C30H26FN3O5/c1-20-14-27(34-39-20)30(37)33-24-9-5-8-21(15-24)11-13-29(36)32-25(18-35)16-23-10-12-28(26(31)17-23)38-19-22-6-3-2-4-7-22/h2-10,12,14-15,17,25,35H,16,18-19H2,1H3,(H,32,36)(H,33,37)/t25-/m0/s1","","2025-07-24","2026-03-20","N-{3-[3-({(2S)-1-[4-(benzyloxy)-3-fluorophenyl]-3-hydroxypropan-2-yl}amino)-3-oxoprop-1-yn-1-yl]phenyl}-5-methyl-1,2-oxazole-3-carboxamide","2026-03-25"],["YB","YTTERBIUM (III) ION","Yb","[Yb+3];[Yb+3];[Yb+3]","InChI=1S/Yb/q+3","","1999-07-08","2011-06-04","ytterbium(3+)",""],["IWX","N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide","C18 H19 F N2 O2","O=C(Nc2cc(c1ccc(F)cc1)ccc2N)C3CCOCC3;Nc1ccc(cc1NC(=O)C2CCOCC2)c3ccc(F)cc3;c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F","InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)","","2016-03-25","2016-08-24","N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide","2016-08-31"],["IWY","ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate","C11 H17 N3 O3","Cn1ncc(C(=O)OCC)c1C(=O)NCCC;CCCNC(=O)c1n(C)ncc1C(=O)OCC;CCCNC(=O)c1c(cnn1C)C(=O)OCC","InChI=1S/C11H17N3O3/c1-4-6-12-10(15)9-8(7-13-14(9)3)11(16)17-5-2/h7H,4-6H2,1-3H3,(H,12,15)","","2022-02-01","2022-10-07","ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate","2022-10-12"],["A1CJR","(3S)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid","C15 H12 Br N5 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cnc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccc(Br)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3c([nH]cn3)ncn2)Br","InChI=1S/C15H12BrN5O3/c16-9-3-1-8(2-4-9)10(5-11(22)23)21-15(24)13-12-14(19-6-17-12)20-7-18-13/h1-4,6-7,10H,5H2,(H,21,24)(H,22,23)(H,17,18,19,20)/t10-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid","2025-09-17"],["YB0","5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine","C29 H42 N8 O3 S","N=C(NCC1CCCCC1)NCCSCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CSCCNC(=N)NCC2CCCCC2)n3cnc4c(NCCCc5ccccc5)ncnc34;c1ccc(cc1)CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CSCCNC(=N)NCC5CCCCC5)O)O","InChI=1S/C29H42N8O3S/c30-29(33-16-21-10-5-2-6-11-21)32-14-15-41-17-22-24(38)25(39)28(40-22)37-19-36-23-26(34-18-35-27(23)37)31-13-7-12-20-8-3-1-4-9-20/h1,3-4,8-9,18-19,21-22,24-25,28,38-39H,2,5-7,10-17H2,(H3,30,32,33)(H,31,34,35)/t22-,24-,25-,28-/m1/s1","","2023-01-20","2023-05-05","5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine","2023-05-10"],["IWZ","W10-O37 cluster","O37 W10","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]4O[W]15O[W]6O[W]78O[W]9(O6)O[W]%10(O4)(O5)O[W](O2)(O9)(O[W](O3)(O7)O8)O%10;[O][W]12(O3[W]45(O[W]36(O[W]78(O1[W]9(O7)(O[W]13(O2[W](O1)(O4)(O[W]12(O5)(O[W]4(O6)(O8)(O1[W](O3)(O9)(O2)(O4)[O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]","InChI=1S/18H2O.19O.10W/h18*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;6*+2;+3/p-18","","2022-04-14","2022-08-22","1,1,3,3,5,7,7,9,9,9,11,11,13,13,15,15,17,19-octadecakis($l^{1}-oxidanyl)-2$l^{3},4,6,8$l^{3},10$l^{3},12,14,16,18$l^{3},20,21,22,23,24,25,26,27,28,29-nonadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6},17$l^{6},19$l^{6}-decatungstatetradecacyclo[9.9.1.1^{1,3}.1^{3,7}.1^{5,17}.1^{5,19}.1^{7,15}.1^{11,19}.1^{13,17}.1^{17,19}.0^{2,9}.0^{5,18}.0^{8,15}.0^{10,13}]nonacosane","2022-07-13"],["YB1","1-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-1,2,3-triazol-5-yl)propan-1-one","C26 H34 N6 O4","O=C(CCc1cnn[NH]1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;O=C(CCc1[nH]nnc1)N2C[CH]3CN(C[CH]3C2)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5CN(CC5C4)C(=O)CCc6cnn[nH]6","InChI=1S/C26H34N6O4/c33-25(4-3-22-11-27-30-29-22)31-12-20-14-32(15-21(20)13-31)26(34)19-9-23(18-1-2-18)28-24(10-19)36-16-17-5-7-35-8-6-17/h9-11,17-18,20-21H,1-8,12-16H2,(H,27,29,30)","","2023-06-12","2024-12-13","1-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-1,2,3-triazol-5-yl)propan-1-one","2024-12-18"],["A1CJS","(3R)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid","C15 H12 Br N5 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cnc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccc(Br)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3c([nH]cn3)ncn2)Br","InChI=1S/C15H12BrN5O3/c16-9-3-1-8(2-4-9)10(5-11(22)23)21-15(24)13-12-14(19-6-17-12)20-7-18-13/h1-4,6-7,10H,5H2,(H,21,24)(H,22,23)(H,17,18,19,20)/t10-/m1/s1","","2025-07-24","2025-09-12","(3R)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid","2025-09-17"],["A1CJV","(3R)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C16 H14 N4 O4","Oc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(O)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)O","InChI=1S/C16H14N4O4/c21-10-3-1-9(2-4-10)12(7-13(22)23)20-16(24)14-11-5-6-17-15(11)19-8-18-14/h1-6,8,12,21H,7H2,(H,20,24)(H,22,23)(H,17,18,19)/t12-/m1/s1","","2025-07-24","2025-09-12","(3R)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["YB2","YTTERBIUM (II) ION","Yb","[Yb+2];[Yb++];[Yb+2]","InChI=1S/Yb/q+2","","2007-07-09","2011-06-04","ytterbium(2+)",""],["IX0","N-(4-((1S,4S,6R)-3-(4-hydroxyphenyl)-6-(N-(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)sulfamoyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)-3-methylbut-2-enamide","C31 H29 F3 N2 O6 S","CC(C)=CC(=O)Nc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)N(CC(F)(F)F)c4ccc(O)cc4)c5ccc(O)cc5;CC(=CC(=O)Nc1ccc(cc1)C2=C(C3CC(C2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)C","InChI=1S/C31H29F3N2O6S/c1-18(2)15-27(39)35-21-7-3-20(4-8-21)29-28(19-5-11-23(37)12-6-19)25-16-26(30(29)42-25)43(40,41)36(17-31(32,33)34)22-9-13-24(38)14-10-22/h3-15,25-26,30,37-38H,16-17H2,1-2H3,(H,35,39)/t25-,26+,30+/m0/s1","","2022-07-29","2023-05-26","~{N}-[4-[(1~{S},4~{S},6~{R})-3-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)-[2,2,2-tris(fluoranyl)ethyl]sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl]-3-methyl-but-2-enamide","2023-05-31"],["IX1","5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID","C22 H19 N O8","O=C(O)c1noc(c1CO)c3cccc(/C=C/COc2cccc(O)c2C(=O)OC)c3;COC(=O)c1c(O)cccc1OCC=Cc2cccc(c2)c3onc(C(O)=O)c3CO;COC(=O)c1c(cccc1OCC=Cc2cccc(c2)c3c(c(no3)C(=O)O)CO)O","InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+","","2004-09-20","2011-06-04","5-(3-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid",""],["A1CJY","(2S,3R)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C17 H16 N4 O3","O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)c1ccccc1;C[CH]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O;CC(C(c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2)C(=O)O","InChI=1S/C17H16N4O3/c1-10(17(23)24)13(11-5-3-2-4-6-11)21-16(22)14-12-7-8-18-15(12)20-9-19-14/h2-10,13H,1H3,(H,21,22)(H,23,24)(H,18,19,20)/t10-,13+/m0/s1","","2025-07-24","2025-09-12","(2S,3R)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["YB3","2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline","C21 H21 F N6","CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4;Cc1cn2cc(cc(c2n1)F)c3ncc4cc(ccc4n3)N5CCN(CC5)C","InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3","","2023-11-30","2024-03-01","2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline","2024-03-06"],["IX2","2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole","C17 H16 Cl N3 O S","Cc1c(Cl)c(C)cnc1CSc1nc2cc3OCCc3cc2[NH]1;Cc1cnc(CSc2[nH]c3cc4CCOc4cc3n2)c(C)c1Cl;Cc1cnc(c(c1Cl)C)CSc2[nH]c3cc4c(cc3n2)OCC4","InChI=1S/C17H16ClN3OS/c1-9-7-19-14(10(2)16(9)18)8-23-17-20-12-5-11-3-4-22-15(11)6-13(12)21-17/h5-7H,3-4,8H2,1-2H3,(H,20,21)","","2022-02-01","2022-10-07","2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole","2022-10-12"],["YB4","~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide","C35 H42 N8 O2","CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6;CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC","InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40)","","2021-02-15","2024-09-27","~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide","2022-02-16"],["A1CJZ","(3R)-3-(3-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C17 H16 N4 O3","Cc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;Cc1cccc(c1)[CH](CC(O)=O)NC(=O)c2ncnc3[nH]ccc23;Cc1cccc(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2","InChI=1S/C17H16N4O3/c1-10-3-2-4-11(7-10)13(8-14(22)23)21-17(24)15-12-5-6-18-16(12)20-9-19-15/h2-7,9,13H,8H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t13-/m1/s1","","2025-07-24","2025-09-12","(3R)-3-(3-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["18Y","Trioxacarcin A analogue, bound form","C33 H40 O14","O=C(C)C1(O)C(O)CC(OC1C)OC57Oc2c(c(cc4c2c(O)c3C(=O)CCCc3c4OC)C)C6OC(OC56)(C(OC)OC)C7(O)C;COC(OC)[C]12O[CH]3[CH](O1)[C](O[CH]4C[CH](O)[C](O)([CH](C)O4)C(C)=O)(Oc5c3c(C)cc6c(OC)c7CCCC(=O)c7c(O)c56)[C]2(C)O;Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1C5C6C(O4)(C(C(O5)(O6)C(OC)OC)(C)O)OC7CC(C(C(O7)C)(C(=O)C)O)O","InChI=1S/C33H40O14/c1-13-11-17-23(24(37)22-16(25(17)40-5)9-8-10-18(22)35)26-21(13)27-28-32(45-26,30(4,38)33(46-27,47-28)29(41-6)42-7)44-20-12-19(36)31(39,14(2)34)15(3)43-20/h11,15,19-20,27-29,36-39H,8-10,12H2,1-7H3/t15-,19+,20-,27-,28-,30-,31+,32+,33-/m0/s1","(1S,2R,3aS,4S,13aS)-2-(dimethoxymethyl)-1,12-dihydroxy-7-methoxy-1,5-dimethyl-11-oxo-1,2,3a,4,8,9,10,11-octahydro-13aH-2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromen-13a-yl 4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoside","2012-11-08","2021-03-03","(1S,2R,3aS,4S,13aS)-2-(dimethoxymethyl)-1,12-dihydroxy-7-methoxy-1,5-dimethyl-11-oxo-1,2,3a,4,8,9,10,11-octahydro-13aH-2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromen-13a-yl 4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoside","2013-10-23"],["YB5","5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine","C30 H44 N8 O3 S","N=C(NCC1CCCCC1)NCCCSCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CSCCCNC(=N)NCC2CCCCC2)n3cnc4c(NCCCc5ccccc5)ncnc34;c1ccc(cc1)CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CSCCCNC(=N)NCC5CCCCC5)O)O","InChI=1S/C30H44N8O3S/c31-30(34-17-22-11-5-2-6-12-22)33-15-8-16-42-18-23-25(39)26(40)29(41-23)38-20-37-24-27(35-19-36-28(24)38)32-14-7-13-21-9-3-1-4-10-21/h1,3-4,9-10,19-20,22-23,25-26,29,39-40H,2,5-8,11-18H2,(H3,31,33,34)(H,32,35,36)/t23-,25-,26-,29-/m1/s1","","2023-01-20","2023-05-05","5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine","2023-05-10"],["IX3","W3-O10 cluster","O10 W3","O.O.O.O.O.O.O1[W]O[W]2O[W]1O2;[O][W]12(O[W]3(O1[W](O2)(O3)([O])[O])([O])[O])[O]","InChI=1S/6H2O.4O.3W/h6*1H2;;;;;;;/q;;;;;;;;;;3*+2/p-6","","2022-04-14","2022-08-22","1,1,3,3,5,5-hexakis($l^{1}-oxidanyl)-2,4,6$l^{3},7-tetraoxa-1$l^{5},3$l^{5},5$l^{5}-tritungstatricyclo[3.1.1.0^{3,6}]heptane","2022-07-13"],["18Z","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide","C18 H25 N9 O3","[O-][N+](=O)c3cc(C(=O)N)c(NCc1cnc(nc1)N)cc3NCCN2CCNCC2;NC(=O)c1cc(c(NCCN2CCNCC2)cc1NCc3cnc(N)nc3)[N+]([O-])=O;c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N","InChI=1S/C18H25N9O3/c19-17(28)13-7-16(27(29)30)15(22-3-6-26-4-1-21-2-5-26)8-14(13)23-9-12-10-24-18(20)25-11-12/h7-8,10-11,21-23H,1-6,9H2,(H2,19,28)(H2,20,24,25)","","2011-04-21","2012-08-03","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide",""],["YB6","N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide","C15 H11 F N2 O","O=C(C)Nc1ccc(cn1)C#Cc1ccc(F)cc1;CC(=O)Nc1ccc(cn1)C#Cc2ccc(F)cc2;CC(=O)Nc1ccc(cn1)C#Cc2ccc(cc2)F","InChI=1S/C15H11FN2O/c1-11(19)18-15-9-6-13(10-17-15)3-2-12-4-7-14(16)8-5-12/h4-10H,1H3,(H,17,18,19)","","2023-06-12","2024-12-13","N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide","2024-12-18"],["IX4","~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide","C12 H14 N6 O","CC1(CCC(=O)NCc2[nH]c3cccnc3n2)N=N1;CC1(N=N1)CCC(=O)NCc2[nH]c3cccnc3n2","InChI=1S/C12H14N6O/c1-12(17-18-12)5-4-10(19)14-7-9-15-8-3-2-6-13-11(8)16-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,13,15,16)","","2023-08-03","2024-02-02","~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide","2024-02-07"],["190","N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE","C31 H37 Br F N O5 S","Brc1cc(ccc1)CC(NC(=O)COc2c(cccc2C)C)C(O)CC(CC(C)C)S(=O)(=O)c3ccc(F)cc3;CC(C)C[CH](C[CH](O)[CH](Cc1cccc(Br)c1)NC(=O)COc2c(C)cccc2C)[S](=O)(=O)c3ccc(F)cc3;Cc1cccc(c1OCC(=O)NC(Cc2cccc(c2)Br)C(CC(CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C","InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1","","2004-10-15","2011-06-04","N-{(1S,2R,4S)-1-(3-bromobenzyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl}-2-(2,6-dimethylphenoxy)acetamide",""],["YB7","~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide","C18 H18 F3 N5 O2 S","Cc1cc([nH]c1C(=O)N[CH](CN)c2sc(CO)cn2)c3ccc(cn3)C(F)(F)F;Cc1cc([nH]c1C(=O)NC(CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F","InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1","","2021-02-15","2021-11-12","~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide","2021-11-17"],["IX5","1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine","C21 H23 N7 O2","Cn1cc(nc1COc1nc(N2CCOCC2)c2cnn(C)c2n1)c1ccccc1;Cn1cc(nc1COc2nc(N3CCOCC3)c4cnn(C)c4n2)c5ccccc5;Cn1cc(nc1COc2nc3c(cnn3C)c(n2)N4CCOCC4)c5ccccc5","InChI=1S/C21H23N7O2/c1-26-13-17(15-6-4-3-5-7-15)23-18(26)14-30-21-24-19-16(12-22-27(19)2)20(25-21)28-8-10-29-11-9-28/h3-7,12-13H,8-11,14H2,1-2H3","","2022-02-01","2022-10-07","1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine","2022-10-12"],["IX6","(11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide","C30 H32 F N3 O6 S","Fc1cc(OCC(=C)/C)ccc1C4C5=C(Nc2c(O)cccc2N4C(=O)c3nc(oc3C)C)CC(CS5(=O)=O)(C)C;CC(=C)COc1ccc([CH]2N(C(=O)c3nc(C)oc3C)c4cccc(O)c4NC5=C2[S](=O)(=O)CC(C)(C)C5)c(F)c1;Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C(C2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O","InChI=1S/C30H32FN3O6S/c1-16(2)14-39-19-10-11-20(21(31)12-19)27-28-22(13-30(5,6)15-41(28,37)38)33-26-23(8-7-9-24(26)35)34(27)29(36)25-17(3)40-18(4)32-25/h7-12,27,33,35H,1,13-15H2,2-6H3/t27-/m0/s1","","2009-06-01","2011-06-04","(11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide",""],["YB9","1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol","C6 H15 N2 O7 P","O=P(O)(O)OCC(O)C(O)CCNC(N)=O;NC(=O)NCC[CH](O)[CH](O)CO[P](O)(O)=O;C(CNC(=O)N)C(C(COP(=O)(O)O)O)O","InChI=1S/C6H15N2O7P/c7-6(11)8-2-1-4(9)5(10)3-15-16(12,13)14/h4-5,9-10H,1-3H2,(H3,7,8,11)(H2,12,13,14)/t4-,5-/m0/s1","","2023-01-22","2024-09-27","1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol","2023-04-26"],["191","PROPIONYL COENZYME A","C24 H41 N7 O17 P3 S","CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(C1OP(O)(=O)O)O)[N+]=2C=NC=3C=2N=CNC=3N;CCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)[n+]2cnc3c(N)[nH]cnc23;CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O","InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H8,25,26,27,28,29,32,36,37,38,39,40,41,42,43)/p+1/t13-,17-,18-,19-,23-/m1/s1","","2004-10-26","2015-09-22","6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3S,5S,9S)-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicos-1-yl]tetrahydrofuran-2-yl}-1H-purin-9-ium (non-preferred name)",""],["IX7","[(2~{R})-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{S})-10-methylhenicosanoate","C70 H131 O24 P","CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCCC(C)CCCCCCCCCCC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(=O)CCCCCCCCC(C)CCCCCCCCCCC)OC(=O)CCCCCCCCCC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O","InChI=1S/C70H131O24P/c1-5-8-11-14-17-20-21-22-23-25-28-33-39-44-55(73)87-49-53-58(76)60(78)65(83)70(91-53)93-67-63(81)61(79)62(80)66(92-69-64(82)59(77)57(75)52(46-71)90-69)68(67)94-95(84,85)88-48-51(89-56(74)45-40-35-27-19-16-13-10-7-3)47-86-54(72)43-38-34-30-29-32-37-42-50(4)41-36-31-26-24-18-15-12-9-6-2/h50-53,57-71,75-83H,5-49H2,1-4H3,(H,84,85)/t50?,51-,52-,53-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67-,68+,69-,70-/m1/s1","","2022-04-14","2022-08-22","[(2~{R})-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] 10-methylhenicosanoate","2022-05-18"],["YBA","~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide","C18 H16 F4 N4 O2 S","NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(c(F)c2)C(F)(F)F)c3scc(CO)n3;c1cc(c(cc1c2ccc([nH]2)C(=O)NC(CN)c3nc(cs3)CO)F)C(F)(F)F","InChI=1S/C18H16F4N4O2S/c19-12-5-9(1-2-11(12)18(20,21)22)13-3-4-14(25-13)16(28)26-15(6-23)17-24-10(7-27)8-29-17/h1-5,8,15,25,27H,6-7,23H2,(H,26,28)/t15-/m0/s1","","2021-02-15","2021-11-12","~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide","2021-11-17"],["192","1-AMINOCYCLOBUTANECARBOXLIC ACID","C5 H9 N O2","O=C(O)C1(N)CCC1;NC1(CCC1)C(O)=O;C1CC(C1)(C(=O)O)N","InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)","","2004-11-23","2024-09-27","1-aminocyclobutanecarboxylic acid",""],["193","(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACID","C7 H15 N3 O3","O=C(O)C(N)CCNC(=O)CCN;NCCC(=O)NCC[CH](N)C(O)=O;C(CNC(=O)CCN)C(C(=O)O)N","InChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1","","2004-11-30","2024-09-27","(2S)-4-(beta-alanylamino)-2-aminobutanoic acid",""],["YBB","4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide","C20 H19 F3 N2 O2","FC(F)(F)Oc1ccc(cc1)/C=C/c1cc(ccc1N1CCCC1)C(N)=O;NC(=O)c1ccc(N2CCCC2)c(C=Cc3ccc(OC(F)(F)F)cc3)c1;c1cc(ccc1C=Cc2cc(ccc2N3CCCC3)C(=O)N)OC(F)(F)F","InChI=1S/C20H19F3N2O2/c21-20(22,23)27-17-8-4-14(5-9-17)3-6-15-13-16(19(24)26)7-10-18(15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H2,24,26)","","2023-06-12","2024-12-13","4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide","2024-12-18"],["IX8","7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide","C26 H28 N4 O2","C[CH](COc1ccccc1)NC(=O)c2cnc3n(ncc3c4ccc(cc4)C(C)C)c2C;Cc1c(cnc2n1ncc2c3ccc(cc3)C(C)C)C(=O)NC(C)COc4ccccc4","InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1","","2022-08-01","2023-09-01","7-methyl-~{N}-[(2~{R})-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide","2023-09-06"],["YBC","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol","C17 H16 Cl2 N4 O5 S2","OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4csc(O)n4;c1cc(c(cc1SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4csc(n4)O)O)Cl)Cl","InChI=1S/C17H16Cl2N4O5S2/c18-8-2-1-7(3-9(8)19)30-16-15(26)13(14(25)12(5-24)28-16)23-4-10(21-22-23)11-6-29-17(27)20-11/h1-4,6,12-16,24-26H,5H2,(H,20,27)/t12-,13+,14+,15-,16-/m1/s1","","2023-11-30","2024-05-31","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol","2024-06-05"],["IX9","6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine","C21 H21 N7 O","Cc1cc(ccc1)Oc1nc(nc2[NH]cnc12)N1CCN(CC1)c1ccccn1;Cc1cccc(Oc2nc(nc3[nH]cnc23)N4CCN(CC4)c5ccccn5)c1;Cc1cccc(c1)Oc2c3c([nH]cn3)nc(n2)N4CCN(CC4)c5ccccn5","InChI=1S/C21H21N7O/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)","","2022-02-01","2022-10-14","6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine","2022-10-19"],["194","4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID","C21 H14 N2 O8","[O-][N+](=O)c1cccc(c1)C(=O)Nc3ccccc3Oc2ccc(C(=O)O)c(C(=O)O)c2;OC(=O)c1ccc(Oc2ccccc2NC(=O)c3cccc(c3)[N+]([O-])=O)cc1C(O)=O;c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O","InChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)","","2005-03-29","2011-06-04","4-(2-{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid",""],["YBD","~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide","C17 H16 Cl F N4 O2 S","NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(Cl)c(F)c2)c3sc(CO)cn3;c1cc(c(cc1c2ccc([nH]2)C(=O)NC(CN)c3ncc(s3)CO)F)Cl","InChI=1S/C17H16ClFN4O2S/c18-11-2-1-9(5-12(11)19)13-3-4-14(22-13)16(25)23-15(6-20)17-21-7-10(8-24)26-17/h1-5,7,15,22,24H,6,8,20H2,(H,23,25)/t15-/m1/s1","","2021-02-16","2021-11-12","~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide","2021-11-17"],["IXA","N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","C24 H28 N6 O4","O=C(NCCCC/N=C(N)N)C(NC(=O)c2ccc1c(C(O)=CC(=O)N1)c2)Cc3ccccc3;NC(N)=NCCCCNC(=O)[CH](Cc1ccccc1)NC(=O)c2ccc3NC(=O)C=C(O)c3c2;c1ccc(cc1)CC(C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O","InChI=1S/C24H28N6O4/c25-24(26)28-11-5-4-10-27-23(34)19(12-15-6-2-1-3-7-15)30-22(33)16-8-9-18-17(13-16)20(31)14-21(32)29-18/h1-3,6-9,13-14,19H,4-5,10-12H2,(H,27,34)(H,30,33)(H4,25,26,28)(H2,29,31,32)/t19-/m0/s1","","2014-11-24","2016-01-15","N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","2016-01-20"],["195","4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID","C28 H18 N4 O11","[O-][N+](=O)c1cccc(c1)C(=O)Nc3ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(c3)NC(=O)c4cccc([N+]([O-])=O)c4;OC(=O)c1ccc(Oc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2NC(=O)c4cccc(c4)[N+]([O-])=O)cc1C(O)=O;c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O","InChI=1S/C28H18N4O11/c33-25(15-3-1-5-18(11-15)31(39)40)29-17-7-10-24(43-20-8-9-21(27(35)36)22(14-20)28(37)38)23(13-17)30-26(34)16-4-2-6-19(12-16)32(41)42/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)","","2005-03-29","2011-06-04","4-(2,4-bis{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid",""],["YBE","tert-butyl [(1R,4s)-4-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]-1H-benzimidazol-1-yl}cyclohexyl]carbamate","C28 H37 N5 O4","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c2cc1;Cc1onc(C)c1c2ccc3n([CH]4CC[CH](CC4)NC(=O)OC(C)(C)C)c(nc3c2)[CH]5CCCC(=O)N5;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)NC(=O)OC(C)(C)C)C5CCCC(=O)N5","InChI=1S/C28H37N5O4/c1-16-25(17(2)37-32-16)18-9-14-23-22(15-18)31-26(21-7-6-8-24(34)30-21)33(23)20-12-10-19(11-13-20)29-27(35)36-28(3,4)5/h9,14-15,19-21H,6-8,10-13H2,1-5H3,(H,29,35)(H,30,34)/t19-,20+,21-/m0/s1","","2023-01-23","2024-01-19","tert-butyl [(1R,4s)-4-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]-1H-benzimidazol-1-yl}cyclohexyl]carbamate","2024-01-24"],["196","3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE","C17 H10 F N O2","Fc3cc(c2cc1ccc(O)cc1c(C#N)c2)ccc3O;Oc1ccc2cc(cc(C#N)c2c1)c3ccc(O)c(F)c3;c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O","InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H","","2005-03-04","2011-06-04","3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile",""],["IXB","(3S)-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid","C17 H14 N2 O4","NC(=O)c1cccc(c1)C(=O)N2C[CH](C(O)=O)c3ccccc23;c1ccc2c(c1)C(CN2C(=O)c3cccc(c3)C(=O)N)C(=O)O","InChI=1S/C17H14N2O4/c18-15(20)10-4-3-5-11(8-10)16(21)19-9-13(17(22)23)12-6-1-2-7-14(12)19/h1-8,13H,9H2,(H2,18,20)(H,22,23)/t13-/m1/s1","1-(3-carbamoylbenzoyl)-2,3-dihydro-1H-indole-3-carboxylic acid","2022-04-19","2025-01-17","(3~{S})-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid","2025-01-22"],["YBF","(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide","C27 H20 N4 O3","[O-][N+](=O)c1cc(ccc1c1cn(Cc2ccccc2)c2ncccc21)C(=O)Nc1ccccc1;[O-][N+](=O)c1cc(ccc1c2cn(Cc3ccccc3)c4ncccc24)C(=O)Nc5ccccc5;c1ccc(cc1)Cn2cc(c3c2nccc3)c4ccc(cc4[N+](=O)[O-])C(=O)Nc5ccccc5","InChI=1S/C27H20N4O3/c32-27(29-21-10-5-2-6-11-21)20-13-14-22(25(16-20)31(33)34)24-18-30(17-19-8-3-1-4-9-19)26-23(24)12-7-15-28-26/h1-16,18H,17H2,(H,29,32)","","2023-06-12","2024-12-13","(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide","2024-12-18"],["197","4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID","C32 H33 N3 O6","O=Cc1cc(ccc1C(=O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(C(O)=O)c(C=O)c1)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(c(c1)C=O)C(=O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C32H33N3O6/c1-21(37)33-29(18-23-12-15-27(32(40)41)26(17-23)20-36)30(38)34-28-9-5-6-16-35(31(28)39)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,28-29H,5-6,9,16,18-19H2,1H3,(H,33,37)(H,34,38)(H,40,41)/t28-,29-/m0/s1","RU82197","2003-06-20","2024-09-27","4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-formylbenzoic acid",""],["IXC","3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide","C41 H38 N8 O3 S","CSc1[NH]c(c2ccnc(Nc3ccc(cc3)N3CCNCC3)c2)c(n1)c1cc(ccc1)NC(=O)c1cccc(O)c1CN1Cc2ccccc2C1=O;CSc1[nH]c(c2ccnc(Nc3ccc(cc3)N4CCNCC4)c2)c(n1)c5cccc(NC(=O)c6cccc(O)c6CN7Cc8ccccc8C7=O)c5;CSc1[nH]c(c(n1)c2cccc(c2)NC(=O)c3cccc(c3CN4Cc5ccccc5C4=O)O)c6ccnc(c6)Nc7ccc(cc7)N8CCNCC8","InChI=1S/C41H38N8O3S/c1-53-41-46-37(38(47-41)27-16-17-43-36(23-27)44-29-12-14-31(15-13-29)48-20-18-42-19-21-48)26-7-4-8-30(22-26)45-39(51)33-10-5-11-35(50)34(33)25-49-24-28-6-2-3-9-32(28)40(49)52/h2-17,22-23,42,50H,18-21,24-25H2,1H3,(H,43,44)(H,45,51)(H,46,47)","","2023-08-03","2024-08-23","3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide","2024-08-28"],["YBG","1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol","C43 H81 O13 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1","","2021-02-16","2021-04-16","[(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate","2021-04-21"],["198","R-BICALUTAMIDE","C18 H14 F4 N2 O4 S","O=C(Nc1cc(c(C#N)cc1)C(F)(F)F)C(O)(C)CS(=O)(=O)c2ccc(F)cc2;C[C](O)(C[S](=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F;CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O","InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1","(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE","2005-04-07","2021-03-01","(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide",""],["IXD","4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid","C6 H8 O9 S","O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1=C(OC(C(C1O)OS(=O)(=O)O)O)C(=O)O","InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4-,6-/m1/s1","4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid; 4-deoxy-2-O-sulfo-D-erythro-hex-4-enuronic acid;\n4-deoxy-2-O-sulfo-erythro-hex-4-enuronic acid","2009-08-19","2020-07-17","(2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid",""],["IXE","N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine","C14 H11 F3 N6","Fc1cc(cc(F)c1F)N(c2cc3c(nc2)nc(nc3N)N)C;CN(c1cnc2nc(N)nc(N)c2c1)c3cc(F)c(F)c(F)c3;CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N","InChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22)","","2013-02-08","2013-05-24","N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine","2013-05-29"],["YBH","4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID","C29 H28 N4 O6 S","O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c4ccc(Oc2nc3c(nc2)cccc3)cc4;OC(=O)C[CH](NC(=O)[CH](CCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)c4sccc4)C=O;c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCCC(c4cccs4)C(=O)NC(CC(=O)O)C=O","InChI=1S/C29H28N4O6S/c34-18-20(16-27(35)36)32-29(38)22(25-9-5-15-40-25)6-3-4-14-30-28(37)19-10-12-21(13-11-19)39-26-17-31-23-7-1-2-8-24(23)33-26/h1-2,5,7-13,15,17-18,20,22H,3-4,6,14,16H2,(H,30,37)(H,32,38)(H,35,36)/t20-,22-/m0/s1","","2004-01-09","2024-09-27","(3S)-4-oxo-3-{[(2R)-6-({[4-(quinoxalin-2-yloxy)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}butanoic acid",""],["199","N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE","C24 H24 N6 O","O=C(c1cccnc1)Nc3c2cc(cnc2nc3)c4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(cc2)c3cnc4[nH]cc(NC(=O)c5cccnc5)c4c3;CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5","InChI=1S/C24H24N6O/c1-29-9-11-30(12-10-29)20-6-4-17(5-7-20)19-13-21-22(16-27-23(21)26-15-19)28-24(31)18-3-2-8-25-14-18/h2-8,13-16H,9-12H2,1H3,(H,26,27)(H,28,31)","","2005-07-01","2011-06-04","N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxamide",""],["YBI","~{N}-[4-[6-[3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide","C50 H56 Cl N11 O3 S","Cc1sc2n3c(C)nnc3[CH](CC(=O)N4CCN(CCCOc5ccc6nc([nH]c6c5)[CH]7CC[CH](CC7)NC(=O)CNCc8[nH]c9ccccc9c8)CC4)N=C(c%10ccc(Cl)cc%10)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)N4CCN(CC4)CCCOc5ccc6c(c5)[nH]c(n6)C7CCC(CC7)NC(=O)CNCc8cc9ccccc9[nH]8)c1ccc(cc1)Cl)C","InChI=1S/C50H56ClN11O3S/c1-30-31(2)66-50-46(30)47(33-9-13-36(51)14-10-33)55-43(49-59-58-32(3)62(49)50)27-45(64)61-22-20-60(21-23-61)19-6-24-65-39-17-18-41-42(26-39)57-48(56-41)34-11-15-37(16-12-34)54-44(63)29-52-28-38-25-35-7-4-5-8-40(35)53-38/h4-5,7-10,13-14,17-18,25-26,34,37,43,52-53H,6,11-12,15-16,19-24,27-29H2,1-3H3,(H,54,63)(H,56,57)/t34-,37+,43-/m0/s1","","2023-11-28","2025-03-21","~{N}-[4-[6-[3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide","2025-03-26"],["IXF","N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine","C17 H20 N6","n1cc(cc2c1nc(nc2N)N)N(c3ccc(cc3)C(C)C)C;CC(C)c1ccc(cc1)N(C)c2cnc3nc(N)nc(N)c3c2;CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N","InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)","","2013-02-08","2013-05-24","N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine","2013-05-29"],["19A","N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE","C16 H16 N4 O","O=C(N(C)C)c3cc(c2nncc2c1ccccc1)cn3;CN(C)C(=O)c1[nH]cc(c1)c2n[nH]cc2c3ccccc3;CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3","InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)","","2007-01-15","2011-06-04","N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide",""],["19B","4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide","C30 H32 N4 O3","O=C(c4ccc(c(c2ccc1c(noc1c2)C3CCNCC3)c4)C)Nc6cc(N5CCOCC5)ccc6;Cc1ccc(cc1c2ccc3c(onc3C4CCNCC4)c2)C(=O)Nc5cccc(c5)N6CCOCC6;Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6","InChI=1S/C30H32N4O3/c1-20-5-6-23(30(35)32-24-3-2-4-25(19-24)34-13-15-36-16-14-34)17-27(20)22-7-8-26-28(18-22)37-33-29(26)21-9-11-31-12-10-21/h2-8,17-19,21,31H,9-16H2,1H3,(H,32,35)","","2008-08-26","2011-06-04","4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide",""],["IXG","N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine","C14 H14 N6","n1cc(cc2c1nc(nc2N)N)N(c3ccccc3)C;CN(c1ccccc1)c2cnc3nc(N)nc(N)c3c2;CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N","InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)10-7-11-12(15)18-14(16)19-13(11)17-8-10/h2-8H,1H3,(H4,15,16,17,18,19)","","2013-02-08","2013-05-10","N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine","2013-05-15"],["YBJ","(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol","C7 H15 N O3","CO[CH]1[CH](N)C[CH](O)O[CH]1C;CC1C(C(CC(O1)O)N)OC","InChI=1S/C7H15NO3/c1-4-7(10-2)5(8)3-6(9)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1","L-actinosamine","2021-02-16","2024-09-27","(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol","2022-12-07"],["IXH","8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide","C29 H31 N7 O2","O=C(N)C4=CN(c1cc2c(cc1)CCC2)c3nc(ncc3C4=O)Nc5ccc(cc5)N6CC(NC(C6)C)C;C[CH]1CN(C[CH](C)N1)c2ccc(Nc3ncc4C(=O)C(=CN(c5ccc6CCCc6c5)c4n3)C(N)=O)cc2;CC1CN(CC(N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6","InChI=1S/C29H31N7O2/c1-17-14-35(15-18(2)32-17)22-10-7-21(8-11-22)33-29-31-13-24-26(37)25(27(30)38)16-36(28(24)34-29)23-9-6-19-4-3-5-20(19)12-23/h6-13,16-18,32H,3-5,14-15H2,1-2H3,(H2,30,38)(H,31,33,34)/t17-,18+","","2007-12-03","2011-06-04","8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide",""],["19C","2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one","C15 H11 Cl F N O3","Oc1ccc2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O;c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F","InChI=1S/C15H10ClFNO3/c16-10-5-8(1-3-11(10)17)6-18-7-9-2-4-12(19)14(20)13(9)15(18)21/h1-5,7,19-20H,6H2","","2012-10-08","2012-10-26","2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)-3H-isoindol-1-one","2012-10-26"],["YBK","8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide","C28 H25 F5 N4 O4","CC(C)(O)c1cc(nc(c2ccc(F)cc2)c1F)C(O)(CNC(=O)c1cc2cc(C)nnc2c(c1)OC)C(F)(F)F;COc1cc(cc2cc(C)nnc12)C(=O)NC[C](O)(c3cc(c(F)c(n3)c4ccc(F)cc4)C(C)(C)O)C(F)(F)F;Cc1cc2cc(cc(c2nn1)OC)C(=O)NCC(c3cc(c(c(n3)c4ccc(cc4)F)F)C(C)(C)O)(C(F)(F)F)O","InChI=1S/C28H25F5N4O4/c1-14-9-16-10-17(11-20(41-4)23(16)37-36-14)25(38)34-13-27(40,28(31,32)33)21-12-19(26(2,3)39)22(30)24(35-21)15-5-7-18(29)8-6-15/h5-12,39-40H,13H2,1-4H3,(H,34,38)/t27-/m0/s1","","2023-01-23","2023-10-27","8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide","2023-11-01"],["19D","(1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid","C11 H16 F N O8","O=C(O)C12OC(C(O1)C(NC(=O)C)C(O)C2F)C(O)CO;CC(=O)N[CH]1[CH](O)[CH](F)[C]2(O[CH]([CH](O)CO)[CH]1O2)C(O)=O;CC(=O)NC1C(C(C2(OC1C(O2)C(CO)O)C(=O)O)F)O","InChI=1S/C11H16FNO8/c1-3(15)13-5-6(17)9(12)11(10(18)19)20-7(4(16)2-14)8(5)21-11/h4-9,14,16-17H,2H2,1H3,(H,13,15)(H,18,19)/t4-,5-,6-,7-,8-,9-,11-/m1/s1","","2012-11-08","2016-01-08","(1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name)","2016-01-13"],["IXI","5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide","C23 H21 N5 O2","Cc1ccc(C)nc1C(=O)Nc1cc2nc([NH]c2cc1C(=O)NC)c1ccccc1;CNC(=O)c1cc2[nH]c(nc2cc1NC(=O)c3nc(C)ccc3C)c4ccccc4;Cc1ccc(nc1C(=O)Nc2cc3c(cc2C(=O)NC)[nH]c(n3)c4ccccc4)C","InChI=1S/C23H21N5O2/c1-13-9-10-14(2)25-20(13)23(30)28-17-12-19-18(11-16(17)22(29)24-3)26-21(27-19)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,29)(H,26,27)(H,28,30)","","2022-02-01","2022-10-07","5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide","2022-10-12"],["YBL","3-[(Z)-1-{[(2S)-butan-2-yl]oxy}-2-(2,4-dichlorophenyl)ethenyl]pyridine","C17 H17 Cl2 N O","Clc1ccc(/C=C(OC(C)CC)c2cccnc2)c(Cl)c1;CC[CH](C)OC(=Cc1ccc(Cl)cc1Cl)c2cccnc2;CCC(C)OC(=Cc1ccc(cc1Cl)Cl)c2cccnc2","InChI=1S/C17H17Cl2NO/c1-3-12(2)21-17(14-5-4-8-20-11-14)9-13-6-7-15(18)10-16(13)19/h4-12H,3H2,1-2H3/t12-/m0/s1","","2023-06-12","2024-12-13","3-[(Z)-1-{[(2S)-butan-2-yl]oxy}-2-(2,4-dichlorophenyl)ethenyl]pyridine","2024-12-18"],["IXJ","(2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid","C27 H46 N8 O5","NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O)Cc1ccccc1)C(=O)NCCCC[CH](NC(N)=N)C(O)=O;c1ccc(cc1)CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCCC(C(=O)O)NC(=N)N","InChI=1S/C27H46N8O5/c28-15-7-4-12-20(24(37)32-17-9-6-14-22(26(39)40)35-27(30)31)34-25(38)21(13-5-8-16-29)33-23(36)18-19-10-2-1-3-11-19/h1-3,10-11,20-22H,4-9,12-18,28-29H2,(H,32,37)(H,33,36)(H,34,38)(H,39,40)(H4,30,31,35)/t20-,21-,22+/m0/s1","","2022-04-20","2022-12-23","(2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid","2022-12-28"],["YBM","[(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid","C11 H18 N5 O5 P","O=P(O)(O)CCC(CO)NCc1c[NH]c2c(O)nc(N)nc21;Nc1nc(O)c2[nH]cc(CN[CH](CO)CC[P](O)(O)=O)c2n1;c1c(c2c([nH]1)c(nc(n2)N)O)CNC(CCP(=O)(O)O)CO","InChI=1S/C11H18N5O5P/c12-11-15-8-6(4-14-9(8)10(18)16-11)3-13-7(5-17)1-2-22(19,20)21/h4,7,13-14,17H,1-3,5H2,(H2,19,20,21)(H3,12,15,16,18)/t7-/m0/s1","","2022-02-04","2022-12-02","[(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid","2022-12-07"],["19E","11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol","C16 H11 Cl N2 O","Clc4ncc(c3c4c1c(ccc2cc(O)ccc12)n3)C;Cc1cnc(Cl)c2c1[nH]c3ccc4cc(O)ccc4c23;Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl","InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)14-13-11-4-3-10(20)6-9(11)2-5-12(13)19-15(8)14/h2-7,19-20H,1H3","","2010-09-21","2011-06-04","11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol",""],["IXK","[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate","C20 H17 N10 O8 P","Nc1ncnc2n(cnc12)c3oc(CO[P](O)(=O)Oc4cc(oc4CO)n5cnc6c(N)ncnc56)c(O)c3;c1c(c(oc1n2cnc3c2ncnc3N)COP(=O)(O)Oc4cc(oc4CO)n5cnc6c5ncnc6N)O","InChI=1S/C20H17N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(32)12(37-13)4-35-39(33,34)38-10-2-14(36-11(10)3-31)30-8-28-16-18(22)24-6-26-20(16)30/h1-2,5-8,31-32H,3-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)","","2022-08-02","2023-07-21","[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate","2023-07-26"],["19F","2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one","C27 H32 N4 O4","O=C1c3c(nc(n3N=C(N1)Cc2ccc(OC)c(OC)c2)C(CCCc4ccccc4)C(O)C)C;COc1ccc(CC2=Nn3c(nc(C)c3C(=O)N2)[CH](CCCc4ccccc4)[CH](C)O)cc1OC;Cc1c2n(c(n1)C(CCCc3ccccc3)C(C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC","InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1","BAY60-7550","2012-11-08","2020-06-17","2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one","2013-08-28"],["YBN","3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate","C22 H23 N O4 S","O=C(OCc1cccc(OC)c1)c4sc2ccccc2c4OC3CCNCC3;COc1cccc(COC(=O)c2sc3ccccc3c2OC4CCNCC4)c1;COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4","InChI=1S/C22H23NO4S/c1-25-17-6-4-5-15(13-17)14-26-22(24)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3","","2012-09-24","2012-11-30","3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate","2012-11-30"],["IXL","4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C23 H26 N6 O2","O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1C)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)N[CH]3CCn4cc(nc4C3)c5ccccc5C;Cc1ccccc1c2cn3c(n2)CC(CC3)NC(=O)c4c(cnn4C)C(=O)N5CCC5","InChI=1S/C23H26N6O2/c1-15-6-3-4-7-17(15)19-14-29-11-8-16(12-20(29)26-19)25-22(30)21-18(13-24-27(21)2)23(31)28-9-5-10-28/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1","","2022-02-01","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["19G","3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid","C20 H19 Cl O3 S","Clc3c(cc(OCCCc1c2ccccc2sc1C(=O)O)cc3C)C;Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl;Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O","InChI=1S/C20H19ClO3S/c1-12-10-14(11-13(2)18(12)21)24-9-5-7-16-15-6-3-4-8-17(15)25-19(16)20(22)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)","","2012-11-08","2013-01-04","3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid","2013-01-04"],["YBO","(2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","C24 H20 F2 N4 O4 S2","NS(=O)(=O)c1ccc(cc1F)Cc1c(nn(c2nc(cs2)C(=O)O)c1CC1CC1)c1ccc(F)cc1;N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c4ccc(F)cc4)c5scc(n5)C(O)=O)cc1F;c1cc(ccc1c2c(c(n(n2)c3nc(cs3)C(=O)O)CC4CC4)Cc5ccc(c(c5)F)S(=O)(=O)N)F","InChI=1S/C24H20F2N4O4S2/c25-16-6-4-15(5-7-16)22-17(9-14-3-8-21(18(26)10-14)36(27,33)34)20(11-13-1-2-13)30(29-22)24-28-19(12-35-24)23(31)32/h3-8,10,12-13H,1-2,9,11H2,(H,31,32)(H2,27,33,34)","","2023-01-23","2024-01-19","(2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","2024-01-24"],["YBP","~{N}-(8-chloranylquinolin-2-yl)propanamide","C12 H11 Cl N2 O","CCC(=O)Nc1ccc2cccc(Cl)c2n1;CCC(=O)Nc1ccc2cccc(c2n1)Cl","InChI=1S/C12H11ClN2O/c1-2-11(16)14-10-7-6-8-4-3-5-9(13)12(8)15-10/h3-7H,2H2,1H3,(H,14,15,16)","","2023-06-13","2024-09-27","~{N}-(8-chloranylquinolin-2-yl)propanamide","2023-06-28"],["IXM","(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME","C16 H11 N3 O2","O=C2C(c1ccccc1N2)=C4C(=NO)c3ccccc3N4;ON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34;c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2","InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+","INDIRUBIN-3'-MONOXIME","2003-08-06","2021-03-01","(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime",""],["19H","6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid","C20 H19 Cl2 N O3","Clc3c(cc(OCCCc2c1ccc(Cl)cc1nc2C(=O)O)cc3C)C;Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl;Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl","InChI=1S/C20H19Cl2NO3/c1-11-8-14(9-12(2)18(11)22)26-7-3-4-16-15-6-5-13(21)10-17(15)23-19(16)20(24)25/h5-6,8-10,23H,3-4,7H2,1-2H3,(H,24,25)","","2012-11-08","2013-01-04","6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid","2013-01-04"],["YBR","N-methyl-D-glutamic acid","C6 H11 N O4","CNC(CCC(=O)O)C(=O)O;CN[CH](CCC(O)=O)C(O)=O;CNC(CCC(=O)O)C(=O)O","InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1","","2023-01-23","2024-10-11","N-methyl-D-glutamic acid","2024-10-16"],["19J","2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid","C11 H11 N7 O5","NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)NCC(O)=O;c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O","InChI=1S/C11H11N7O5/c12-11-17-8-7(10(23)18-11)14-1-4(16-8)9(22)15-2-5(19)13-3-6(20)21/h1H,2-3H2,(H,13,19)(H,15,22)(H,20,21)(H3,12,16,17,18,23)","","2012-11-09","2012-12-21","2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid","2012-12-21"],["IXN","2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine","C31 H43 N9 O8 S","O=C(c1ccccc1O)NS(=O)(=O)OCC5OC(n3cnc2c(nc(nc23)n4nnc(c4)CCCCCCCCCCCC)N)C(O)C5O;CCCCCCCCCCCCc1cn(nn1)c2nc(N)c3ncn([CH]4O[CH](CO[S](=O)(=O)NC(=O)c5ccccc5O)[CH](O)[CH]4O)c3n2;CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)C4C(C(C(O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N","InChI=1S/C31H43N9O8S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-40(38-36-20)31-34-27(32)24-28(35-31)39(19-33-24)30-26(43)25(42)23(48-30)18-47-49(45,46)37-29(44)21-15-12-13-16-22(21)41/h12-13,15-17,19,23,25-26,30,41-43H,2-11,14,18H2,1H3,(H,37,44)(H2,32,34,35)/t23-,25-,26-,30-/m1/s1","2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine","2010-08-03","2021-03-13","2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine",""],["IXO","4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium","C10 H17 N2 O2","C(#CCOC1=NOCC1)C[N+](C)(C)C;C[N+](C)(C)CC#CCOC1=NOCC1;C[N+](C)(C)CC#CCOC1=NOCC1","InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1","Iperoxo","2013-09-20","2021-03-01","4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium","2013-11-27"],["YBS","[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone","C23 H23 N3 O2","OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4;c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O","InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2","","2021-02-17","2021-08-20","[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone","2021-08-25"],["19K","N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine","C17 H18 N6 O2 S","[O-][N+](=O)c1c(N(C)C)ccc(c1)Nc3nc(c2sc(nc2C)C)ccn3;CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1[N+]([O-])=O;Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C","InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)","","2011-08-16","2012-07-27","N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine",""],["19L","(2S)-2-[[(2S)-2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid","C21 H20 N8 O6","NC1=NC(=O)c2ncc(nc2N1)C(=O)N[CH](CO)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)C(CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N","InChI=1S/C21H20N8O6/c22-21-28-16-15(19(33)29-21)24-7-13(25-16)17(31)27-14(8-30)18(32)26-12(20(34)35)5-9-6-23-11-4-2-1-3-10(9)11/h1-4,6-7,12,14,23,30H,5,8H2,(H,26,32)(H,27,31)(H,34,35)(H3,22,25,28,29,33)/t12-,14-/m0/s1","","2012-11-09","2012-12-21","(2S)-2-[[(2S)-2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid","2012-12-21"],["IXP","(5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate","C49 H50 Cl N3 O13","Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)NCCCCNC(=O)CCC(=O)OC8c5c(cc4OCOc4c5)C(c6cc(OC)c(OC)c(OC)c6)C7C(=O)OCC78;COc1ccc2n(c(C)c(CC(=O)NCCCCNC(=O)CCC(=O)O[CH]3[CH]4COC(=O)[CH]4[CH](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36)c2c1)C(=O)c8ccc(Cl)cc8;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)OC4c5cc6c(cc5C(C7C4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6","InChI=1S/C49H50ClN3O13/c1-26-31(32-20-30(59-2)12-13-36(32)53(26)48(57)27-8-10-29(50)11-9-27)23-42(55)52-17-7-6-16-51-41(54)14-15-43(56)66-46-34-22-38-37(64-25-65-38)21-33(34)44(45-35(46)24-63-49(45)58)28-18-39(60-3)47(62-5)40(19-28)61-4/h8-13,18-22,35,44-46H,6-7,14-17,23-25H2,1-5H3,(H,51,54)(H,52,55)/t35-,44+,45-,46-/m1/s1","","2014-02-19","2015-04-03","(5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate","2015-04-08"],["YBT","BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM","C8 H19 N O5 Y","[Y].OCCN(CCO)C(CO)(CO)CO;C1C[OH][Y]234[N]1(CC[OH]2)C(C[OH]3)(C[OH]4)CO","InChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14;/h10-14H,1-7H2;","","2002-08-09","2023-09-23","",""],["19M","(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid","C27 H26 N8 O6","NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](Cc4ccccc4)C(O)=O;c1ccc(cc1)CC(C(=O)NC(Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N","InChI=1S/C27H26N8O6/c28-27-34-22-21(25(39)35-27)29-13-19(32-22)23(37)30-14-20(36)31-17(11-15-7-3-1-4-8-15)24(38)33-18(26(40)41)12-16-9-5-2-6-10-16/h1-10,13,17-18H,11-12,14H2,(H,30,37)(H,31,36)(H,33,38)(H,40,41)(H3,28,32,34,35,39)/t17-,18-/m0/s1","","2012-11-09","2012-12-21","(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid","2012-12-21"],["IXQ","N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide","C19 H17 Cl F N7 O2 S","CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4cc(Cl)c(F)cc4n3)[S](C)(=O)=O;CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4cc(c(cc4n3)F)Cl)S(=O)(=O)C","InChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-6-23-19)10-24-16-5-7-22-17(27-16)18-25-14-8-12(20)13(21)9-15(14)26-18/h3-9H,10H2,1-2H3,(H,25,26)(H,22,24,27)","N-(3-{[2-(5-Chloro-6-fluoro-1H-benzoimidazol-2-yl)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamide","2022-04-20","2023-02-17","~{N}-[3-[[[2-(6-chloranyl-5-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide","2023-02-22"],["YBU","(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine","C9 H7 N3 O","N=Cc1oc(nn1)c2ccccc2;c1ccc(cc1)c2nnc(o2)C=N","InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-","","2023-06-13","2024-09-27","(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine","2023-06-28"],["YBV","5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one","C8 H11 Cl N4 O","CN1N=CC(=C(Cl)C1=O)NC2CNC2;CN1C(=O)C(=C(C=N1)NC2CNC2)Cl","InChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3","","2021-02-17","2022-08-05","5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one","2022-08-10"],["19N","[(1R)-1-amino-5-carbamimidamidopentyl]phosphonic acid","C6 H17 N4 O3 P","O=P(O)(O)C(N)CCCCNC(=[N@H])N;N[CH](CCCCNC(N)=N)[P](O)(O)=O;C(CCNC(=N)N)CC(N)P(=O)(O)O","InChI=1S/C6H17N4O3P/c7-5(14(11,12)13)3-1-2-4-10-6(8)9/h5H,1-4,7H2,(H4,8,9,10)(H2,11,12,13)/t5-/m1/s1","","2013-04-15","2013-06-07","[(1R)-1-amino-5-carbamimidamidopentyl]phosphonic acid","2013-06-12"],["IXR","(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide","C19 H13 N3 O3 S","O=C(Nc1nccs1)C(c1ccccc1)N1C(=O)c2ccccc2C1=O;O=C(Nc1sccn1)[CH](N2C(=O)c3ccccc3C2=O)c4ccccc4;c1ccc(cc1)C(C(=O)Nc2nccs2)N3C(=O)c4ccccc4C3=O","InChI=1S/C19H13N3O3S/c23-16(21-19-20-10-11-26-19)15(12-6-2-1-3-7-12)22-17(24)13-8-4-5-9-14(13)18(22)25/h1-11,15H,(H,20,21,23)/t15-/m1/s1","","2023-08-03","2024-08-23","(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide","2024-08-28"],["IXS","N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide","C34 H44 F N5 O5 S","O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccc(F)cc2)C)C(=O)NC(Cc3ccccc3)CNC(C(=O)NCC(C)C)C)C)C;CC(C)CNC(=O)[CH](C)NC[CH](Cc1ccccc1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccc(F)cc3)N(C)[S](C)(=O)=O;CC(C)CNC(=O)C(C)NCC(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccc(cc3)F","InChI=1S/C34H44FN5O5S/c1-22(2)20-37-32(41)24(4)36-21-30(16-25-10-8-7-9-11-25)39-34(43)28-17-27(18-31(19-28)40(5)46(6,44)45)33(42)38-23(3)26-12-14-29(35)15-13-26/h7-15,17-19,22-24,30,36H,16,20-21H2,1-6H3,(H,37,41)(H,38,42)(H,39,43)/t23-,24+,30+/m1/s1","","2007-08-24","2011-06-04","N-[(1S)-1-benzyl-2-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide",""],["19O","Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate","C44 H36 O6 P2","O=P(O)(O)Cc1c9c(c(c3c1C4c2cc6c(cc2C3C4)C7c5ccccc5C6C7)CP(=O)(O)O)C%10c8cc%12c(cc8C9C%10)C%13c%11ccccc%11C%12C%13;O[P](O)(=O)Cc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(C[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18","InChI=1S/C44H36O6P2/c45-51(46,47)17-39-41-35-15-36(32-12-28-24-9-23(27(28)11-31(32)35)19-5-1-2-6-20(19)24)42(41)40(18-52(48,49)50)44-38-16-37(43(39)44)33-13-29-25-10-26(30(29)14-34(33)38)22-8-4-3-7-21(22)25/h1-8,11-14,23-26,35-38H,9-10,15-18H2,(H2,45,46,47)(H2,48,49,50)/t23-,24+,25+,26-,35-,36+,37+,38-","[(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid)","2012-11-09","2021-03-13","[(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) (non-preferred name)","2013-02-22"],["YBX","(ethylsulfanyl)acetic acid","C4 H8 O2 S","O=C(O)CSCC;CCSCC(O)=O;CCSCC(=O)O","InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)","","2023-01-23","2024-10-11","(ethylsulfanyl)acetic acid","2024-10-16"],["IXT","(2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide","C22 H23 Br N4 O4","COc1cc(cc(OC)c1Br)/C=N/NC(=O)C(OCC)c1ccc(cc1)n1cccn1;CCO[CH](C(=O)NN=Cc1cc(OC)c(Br)c(OC)c1)c2ccc(cc2)n3cccn3;CCOC(c1ccc(cc1)n2cccn2)C(=O)NN=Cc3cc(c(c(c3)OC)Br)OC","InChI=1S/C22H23BrN4O4/c1-4-31-21(16-6-8-17(9-7-16)27-11-5-10-25-27)22(28)26-24-14-15-12-18(29-2)20(23)19(13-15)30-3/h5-14,21H,4H2,1-3H3,(H,26,28)/b24-14+/t21-/m0/s1","","2022-02-01","2022-10-07","(2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide","2022-10-12"],["19P","1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one","C24 H26 N6 O3","O=C(N5CCC(N3C(=O)N(c2cnc1ccc(nc1c23)c4ccc(nc4)C)C)CC5)C(O)C;C[CH](O)C(=O)N1CC[CH](CC1)N2C(=O)N(C)c3cnc4ccc(nc4c23)c5ccc(C)nc5;Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)C(C)O)C","InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1","","2012-11-12","2013-11-15","1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one","2013-11-20"],["YBY","N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid","C15 H17 I N2 O8","Ic1cc(ccc1O)CC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](Cc1ccc(O)c(I)c1)C(O)=O)C(O)=O;c1cc(c(cc1CC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)I)O","InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t9-,10-/m0/s1","(S)-2-(3-((S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ureido)pentanedioic acid","2008-06-05","2020-06-17","N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid",""],["YBZ","(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine","C9 H7 N3 S","N=Cc1sc(nn1)c2ccccc2;c1ccc(cc1)c2nnc(s2)C=N","InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-","","2023-06-13","2024-09-27","(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine","2023-07-26"],["19Q","2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C15 H20 N4 O2","O=C(c2c1nc(cnc1nc2)C3CC3)NC(C)C(O)(C)C;C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)O;CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3","InChI=1S/C15H20N4O2/c1-8(15(2,3)21)18-14(20)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m0/s1","","2012-11-12","2013-01-11","2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-01-11"],["IXU","(2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide","C21 H44 N8 O3","CCC(=O)N[CH](CCCCN)C(=O)N[CH](CCCCN)C(=O)NCCCCCNC(N)=N;CCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCCCNC(=N)N","InChI=1S/C21H44N8O3/c1-2-18(30)28-17(11-5-7-13-23)20(32)29-16(10-4-6-12-22)19(31)26-14-8-3-9-15-27-21(24)25/h16-17H,2-15,22-23H2,1H3,(H,26,31)(H,28,30)(H,29,32)(H4,24,25,27)/t16-,17-/m0/s1","","2022-04-20","2022-12-23","(2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide","2022-12-28"],["19R","2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C15 H20 N4 O2","O=C(c2c1nc(cnc1nc2)C3CC3)NC(C)C(O)(C)C;C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)O;CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3","InChI=1S/C15H20N4O2/c1-8(15(2,3)21)18-14(20)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m1/s1","","2012-11-12","2013-01-11","2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-01-11"],["IXV","N-benzyl-4-phenyl-2-[(N-phenyl-beta-alanyl)amino]thiophene-3-carboxamide","C27 H25 N3 O2 S","O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CCNc4ccccc4;O=C(CCNc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4;c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4","InChI=1S/C27H25N3O2S/c31-24(16-17-28-22-14-8-3-9-15-22)30-27-25(23(19-33-27)21-12-6-2-7-13-21)26(32)29-18-20-10-4-1-5-11-20/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31)","","2014-09-29","2015-07-31","N-benzyl-4-phenyl-2-[(N-phenyl-beta-alanyl)amino]thiophene-3-carboxamide","2015-08-05"],["YC0","methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate","C33 H46 N2 O6","COC(=O)[CH](CO)NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C;CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)NC(=O)NC(CO)C(=O)OC)C)C)C)C)O","InChI=1S/C33H46N2O6/c1-19-20-8-9-24-31(4,21(20)16-23(37)26(19)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)34-22(18-36)27(39)41-7/h8-9,16,22,25,36,38H,10-15,17-18H2,1-7H3,(H2,34,35,40)/t22-,25+,29+,30+,31-,32+,33-/m0/s1","","2023-11-29","2024-06-14","methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate","2024-06-19"],["19S","2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C18 H23 N5 O2","O=C(N1CCCCC1)C(NC(=O)c3c2nc(cnc2nc3)C4CC4)C;C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(=O)N4CCCCC4;CC(C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4","InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1","","2012-11-12","2013-01-11","2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-01-11"],["YC1","[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol","C19 H16 N2 O2","OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24;c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO","InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2","","2020-10-15","2021-08-06","[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol","2021-08-11"],["IXW","ethyl (2S)-oxiran-2-ylacetate","C6 H10 O3","O=C(OCC)CC1OC1;CCOC(=O)C[CH]1CO1;CCOC(=O)CC1CO1","InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1","","2013-02-01","2013-02-15","ethyl (2S)-oxiran-2-ylacetate","2013-02-15"],["19T","(4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid","C19 H18 Cl N3 O2 S","Clc3sc(c2nc(Nc1ccc(cc1)CC(=O)O)c(c(n2)C)CC)cc3;CCc1c(C)nc(nc1Nc2ccc(CC(O)=O)cc2)c3sc(Cl)cc3;CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C","InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)","","2012-11-12","2013-12-27","(4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid","2014-01-01"],["YC2","N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid","C19 H24 I N3 O8","O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O;c1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)I","InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1","(S)-2-(3-((S)-1-carboxy-(4-iodobenzamido)pentyl)ureido)pentanedioic acid","2008-06-05","2021-03-01","N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid",""],["IXX","3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE","C19 H24 N2","c1cc3c(cc1)CCc2c(cccc2)N3CCCN(C)C;CN(C)CCCN1c2ccccc2CCc3ccccc13;CN(C)CCCN1c2ccccc2CCc3c1cccc3","InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3","5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine;10,11-Dehydroimipramine;Depramine","2007-06-07","2020-09-28","3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine",""],["IXY","N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C28 H30 N4 O2 S","O=C(c1c4c(sc1NC(=O)CNCCc3c2ccccc2nc3)CCCC4)NCc5ccccc5;O=C(CNCCc1c[nH]c2ccccc12)Nc3sc4CCCCc4c3C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3","InChI=1S/C28H30N4O2S/c33-25(18-29-15-14-20-17-30-23-12-6-4-10-21(20)23)32-28-26(22-11-5-7-13-24(22)35-28)27(34)31-16-19-8-2-1-3-9-19/h1-4,6,8-10,12,17,29-30H,5,7,11,13-16,18H2,(H,31,34)(H,32,33)","","2014-09-29","2015-07-31","N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","2015-08-05"],["YC3","3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine","C16 H17 N O2 S","SCc1ccccc1c1cccc(CC(N)C(=O)O)c1;N[CH](Cc1cccc(c1)c2ccccc2CS)C(O)=O;c1ccc(c(c1)CS)c2cccc(c2)CC(C(=O)O)N","InChI=1S/C16H17NO2S/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-20/h1-8,15,20H,9-10,17H2,(H,18,19)/t15-/m0/s1","","2023-01-23","2024-10-11","3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine","2024-10-16"],["19U","1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide","C16 H22 Cl N3 O2","O=C(NCc1cccc(Cl)c1)C2N(C(=O)C(N)CC)CCC2;CC[CH](N)C(=O)N1CCC[CH]1C(=O)NCc2cccc(Cl)c2;CCC(C(=O)N1CCCC1C(=O)NCc2cccc(c2)Cl)N","InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1","","2008-01-17","2012-01-11","1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide",""],["YC4","4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one","C9 H13 Cl N4 O","CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2;CN1C(=O)C(=C(C=N1)NC2CCNC2)Cl","InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m0/s1","","2021-02-17","2022-08-05","4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one","2022-08-10"],["19V","4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide","C33 H45 N7 O2","O=C(N)C71CC6CC(C1)C(NC(=O)N5c2ccccc2N(c4ncc(N3CCN(C(C)(C)C)CC3)cc4)CC5)C(C6)C7;CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(C(=O)NC4[CH]5CC6C[CH]4CC(C6)(C5)C(N)=O)c7ccccc37;CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5C6CC7CC5CC(C7)(C6)C(=O)N","InChI=1S/C33H45N7O2/c1-32(2,3)38-12-10-37(11-13-38)25-8-9-28(35-21-25)39-14-15-40(27-7-5-4-6-26(27)39)31(42)36-29-23-16-22-17-24(29)20-33(18-22,19-23)30(34)41/h4-9,21-24,29H,10-20H2,1-3H3,(H2,34,41)(H,36,42)/t22-,23-,24+,29-,33-","","2012-11-12","2013-05-03","4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide","2013-05-08"],["IXZ","N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide","C27 H25 N3 O2 S","O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCc4ccccc4;O=C(CNCc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4;c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4","InChI=1S/C27H25N3O2S/c31-24(18-28-16-20-10-4-1-5-11-20)30-27-25(23(19-33-27)22-14-8-3-9-15-22)26(32)29-17-21-12-6-2-7-13-21/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31)","","2014-09-25","2015-07-31","N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide","2015-08-05"],["19W","5-(aminooxy)-L-norvaline","C5 H12 N2 O3","O=C(O)C(N)CCCON;NOCCC[CH](N)C(O)=O;C(CC(C(=O)O)N)CON","InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-10-7/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1","","2012-11-12","2024-09-27","5-(aminooxy)-L-norvaline","2013-08-21"],["YC5","4-azanyl-3-fluoranyl-benzenethiol","C6 H6 F N S","Nc1ccc(S)cc1F;c1cc(c(cc1S)F)N","InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2","","2023-06-13","2024-09-27","4-azanyl-3-fluoranyl-benzenethiol","2023-06-28"],["IY0","[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate","C9 H10 N3 O8 P","NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O;C1=CN(C(=O)N=C1N)c2c(c(c(o2)COP(=O)(O)O)O)O","InChI=1S/C9H10N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)","","2022-08-02","2023-07-28","[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate","2023-08-02"],["YC6","1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione","C10 H12 N2 O6","O=CC1=CN(C(=O)NC1=O)C1CC(O)C(CO)O1;OC[CH]1O[CH](C[CH]1O)N2C=C(C=O)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=O)CO)O","InChI=1S/C10H12N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2-3,6-8,14-15H,1,4H2,(H,11,16,17)/t6-,7+,8-/m0/s1","","2023-11-30","2025-05-02","1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","2025-05-07"],["19X","6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one","C20 H19 Cl N6 O S","O=C5N=Cc4c5cc(Sc1nc3c(c(n1)N2CCC(N)C2)c(Cl)c(n3)CC)cc4;CCc1[nH]c2nc(Sc3ccc4C=NC(=O)c4c3)nc(N5CC[CH](N)C5)c2c1Cl;CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl","InChI=1S/C20H19ClN6OS/c1-2-14-16(21)15-17(24-14)25-20(26-18(15)27-6-5-11(22)9-27)29-12-4-3-10-8-23-19(28)13(10)7-12/h3-4,7-8,11H,2,5-6,9,22H2,1H3,(H,24,25,26)/t11-/m1/s1","","2012-11-13","2013-02-08","6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one","2013-02-08"],["IY1","5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile","C19 H12 N4 O3","N#CC=2C(=O)N(c1ccc(cc1)[N+](=O)[O-])c3c(C=2)n(C)c4c3cccc4;Cn1c2ccccc2c3N(C(=O)C(=Cc13)C#N)c4ccc(cc4)[N+]([O-])=O;Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N","InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3","Indopy-1","2019-03-14","2020-06-17","5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile","2019-10-23"],["YC8","3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid","C16 H16 N2 O3","OC(=O)c1ccncc1NC(=O)CCCc2ccccc2;c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O","InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21)","","2015-11-27","2016-01-22","3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid","2016-01-27"],["IY2","N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide","C21 H19 F N6 O2","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccc(F)cc1)N(C)C;CN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccc(F)cc4;Cn1c(c(cn1)C(=O)N(C)C)C(=O)Nc2ccn3cc(nc3c2)c4ccc(cc4)F","InChI=1S/C21H19FN6O2/c1-26(2)21(30)16-11-23-27(3)19(16)20(29)24-15-8-9-28-12-17(25-18(28)10-15)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,29)","","2022-02-01","2022-10-07","N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["19Y","6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde","C15 H14 N4 O2 S","O=Cc3c1c(nc(nc1OC)Sc2cccnc2)nc3CC;CCc1[nH]c2nc(Sc3cccnc3)nc(OC)c2c1C=O;CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O","InChI=1S/C15H14N4O2S/c1-3-11-10(8-20)12-13(17-11)18-15(19-14(12)21-2)22-9-5-4-6-16-7-9/h4-8H,3H2,1-2H3,(H,17,18,19)","","2012-11-13","2013-02-08","6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde","2013-02-08"],["19Z","2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide","C14 H13 N3 O4","[O-][N+](=O)c2ccc(NCc1ccc(O)cc1)c(C(=O)N)c2;NC(=O)c1cc(ccc1NCc2ccc(O)cc2)[N+]([O-])=O;c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O","InChI=1S/C14H13N3O4/c15-14(19)12-7-10(17(20)21)3-6-13(12)16-8-9-1-4-11(18)5-2-9/h1-7,16,18H,8H2,(H2,15,19)","","2011-04-21","2012-08-03","2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide",""],["YC9","[(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid","C11 H17 N4 O5 P","O=P(O)(O)CCC(CO)NCc1c[NH]c2c1N=CNC2=O;OC[CH](CC[P](O)(O)=O)NCc1c[nH]c2C(=O)NC=Nc12;c1c(c2c([nH]1)C(=O)NC=N2)CNC(CCP(=O)(O)O)CO","InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m1/s1","","2023-01-24","2023-07-14","[(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid","2023-07-19"],["IY3","(2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide","C28 H50 N10 O4","NCCCC[CH](NC(=O)Cc1cccc(CN)c1)C(=O)N[CH](CCCCN)C(=O)NCCCC[CH](NC(N)=N)C(N)=O;c1cc(cc(c1)CN)CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCCC(C(=O)N)NC(=N)N","InChI=1S/C28H50N10O4/c29-13-4-1-11-22(26(41)35-15-6-3-10-21(25(32)40)38-28(33)34)37-27(42)23(12-2-5-14-30)36-24(39)17-19-8-7-9-20(16-19)18-31/h7-9,16,21-23H,1-6,10-15,17-18,29-31H2,(H2,32,40)(H,35,41)(H,36,39)(H,37,42)(H4,33,34,38)/t21-,22+,23+/m1/s1","","2022-04-20","2022-12-23","(2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide","2022-12-28"],["1A0","(3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine","C19 H19 Cl N8 S","Clc2c1c(nc(nc1nc2CC)Sc3cc4nccnc4nc3)N5CCC(N)C5;CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N5CC[CH](N)C5)c2c1Cl;CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4cc5c(nccn5)nc4)Cl","InChI=1S/C19H19ClN8S/c1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13/h4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27)/t10-/m1/s1","","2012-11-13","2013-02-08","(3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine","2013-02-08"],["IY4","methyl N-(2-{[(2M)-2-(pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}prop-2-enoyl)-D-alaninate","C16 H16 N4 O4 S","O=C(OC)C(C)NC(=O)C(=C)NC(=O)c1csc(n1)c1cnccc1;COC(=O)[CH](C)NC(=O)C(=C)NC(=O)c1csc(n1)c2cccnc2;CC(C(=O)OC)NC(=O)C(=C)NC(=O)c1csc(n1)c2cccnc2","InChI=1S/C16H16N4O4S/c1-9(13(21)19-10(2)16(23)24-3)18-14(22)12-8-25-15(20-12)11-5-4-6-17-7-11/h4-8,10H,1H2,2-3H3,(H,18,22)(H,19,21)/t10-/m1/s1","","2023-08-03","2025-10-24","methyl N-(2-{[(2M)-2-(pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}prop-2-enoyl)-D-alaninate","2025-10-29"],["YCB","~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine","C25 H34 N6","CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4;CN(C)CCCNc1nc2ccc(cc2c(n1)NCC3CCNCC3)c4ccccc4","InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30)","","2023-06-13","2024-01-26","~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine","2024-01-31"],["IY5","8-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE","C15 H9 F3 N2 O2","Oc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F;c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)","","2015-03-27","2016-04-08","8-oxidanyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","2016-04-13"],["1A1","N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide","C17 H13 N7 O S","O=C(Nc1nc(c2nc(sc2n1)c3cccnc3)n4ccnc4)C5CC5;O=C(Nc1nc2sc(nc2c(n1)n3ccnc3)c4cccnc4)C5CC5;c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5","InChI=1S/C17H13N7OS/c25-14(10-3-4-10)22-17-21-13(24-7-6-19-9-24)12-16(23-17)26-15(20-12)11-2-1-5-18-8-11/h1-2,5-10H,3-4H2,(H,21,22,23,25)","","2012-11-14","2013-02-08","N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide","2013-02-08"],["YCC","methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate","C34 H46 N2 O6","COC(=O)C1(COC1)NC(=O)N[C]2(C)CC[C]3(C)CC[C]4(C)C5=CC=C6C(=C(O)C(=O)C=C6[C]5(C)CC[C]4(C)[CH]3C2)C;CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)NC(=O)NC6(COC6)C(=O)OC)C)C)C)C)O","InChI=1S/C34H46N2O6/c1-20-21-8-9-24-31(4,22(21)16-23(37)26(20)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)36-34(18-42-19-34)27(39)41-7/h8-9,16,25,38H,10-15,17-19H2,1-7H3,(H2,35,36,40)/t25-,29-,30-,31+,32-,33+/m1/s1","","2023-11-29","2024-06-14","methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate","2024-06-19"],["IY6","(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine","C18 H22 F3 N7","Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1;Cn1nc(nc1CCc2nn3c(C)c(C)nc3cc2C(F)(F)F)N4CCCC4;Cc1c(n2c(n1)cc(c(n2)CCc3nc(nn3C)N4CCCC4)C(F)(F)F)C","InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3","","2022-02-01","2022-10-07","(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine","2022-10-12"],["YCD","(4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid","C16 H18 F N2 O7 P","Oc1c(CNc2cc(ccc2CF)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNc2cc(ccc2CF)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O","InChI=1S/C16H18FN2O7P/c1-9-15(20)13(12(6-18-9)8-26-27(23,24)25)7-19-14-4-10(16(21)22)2-3-11(14)5-17/h2-4,6,19-20H,5,7-8H2,1H3,(H,21,22)(H2,23,24,25)","","2021-02-17","2021-08-20","4-(fluoromethyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid","2021-08-25"],["1A2","5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE","C21 H22 F2 N6 O","N#CC4=NC=C(C(=O)N3CCC2(N=C(c1c(c(F)ccc1F)N2CC)N)CC3)CC4;CCN1c2c(F)ccc(F)c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N;CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F","InChI=1S/C21H22F2N6O/c1-2-29-18-16(23)6-5-15(22)17(18)19(25)27-21(29)7-9-28(10-8-21)20(30)13-3-4-14(11-24)26-12-13/h5-6,12H,2-4,7-10H2,1H3,(H2,25,27)","","2005-12-06","2011-06-04","5-[(4'-amino-1'-ethyl-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]-3,4-dihydropyridine-2-carbonitrile",""],["YCE","[(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid","C10 H15 N4 O5 P","O=P(O)(O)CC(O)CNCc1c[NH]c2c1N=CNC2=O;O[CH](CNCc1c[nH]c2C(=O)NC=Nc12)C[P](O)(O)=O;c1c(c2c([nH]1)C(=O)NC=N2)CNCC(CP(=O)(O)O)O","InChI=1S/C10H15N4O5P/c15-7(4-20(17,18)19)3-11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1","","2023-01-24","2023-07-14","[(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid","2023-07-19"],["IY7","(2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C27 H32 N2 O7","O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CC4c3ccccc3CC4NC(=O)CCCCN;NCCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O)NC(=O)CCCCN","InChI=1S/C27H32N2O7/c28-12-4-3-7-23(30)29-21-14-16-5-1-2-6-19(16)20(21)13-17-8-10-22-26(25(17)27(33)34)35-15-18(36-22)9-11-24(31)32/h1-2,5-6,8,10,18,20-21H,3-4,7,9,11-15,28H2,(H,29,30)(H,31,32)(H,33,34)/t18-,20+,21-/m0/s1","","2013-11-13","2014-09-05","(2S)-6-({(1R,2S)-2-[(5-aminopentanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-12-18"],["1A3","N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide","C16 H14 N2 O3 S2","O=C3SC=C(c2cc(NS(=O)(=O)Cc1ccccc1)ccc2)N3;O=C1NC(=CS1)c2cccc(N[S](=O)(=O)Cc3ccccc3)c2;c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3","InChI=1S/C16H14N2O3S2/c19-16-17-15(10-22-16)13-7-4-8-14(9-13)18-23(20,21)11-12-5-2-1-3-6-12/h1-10,18H,11H2,(H,17,19)","","2012-11-15","2013-03-29","N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide","2013-04-03"],["1A4","N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide","C13 H10 N2 O3 S3","O=C3SC=C(c2cc(NS(=O)(=O)c1sccc1)ccc2)N3;O=C1NC(=CS1)c2cccc(N[S](=O)(=O)c3sccc3)c2;c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3","InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)","","2012-11-15","2013-03-29","N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide","2013-04-03"],["YCF","(2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide","C19 H24 N10 O3","O=C(Nc1ccc(cc1)C(=NNC(=NO)N)C)Nc2ccc(C(=NNC(=[N@H])NO)C)cc2;CC(=NNC(N)=NO)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NNC(=N)NO)cc1;CC(=NNC(=NO)N)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N)NO)C","InChI=1S/C19H24N10O3/c1-11(24-26-17(20)28-31)13-3-7-15(8-4-13)22-19(30)23-16-9-5-14(6-10-16)12(2)25-27-18(21)29-32/h3-10,31-32H,1-2H3,(H3,20,26,28)(H3,21,27,29)(H2,22,23,30)/b24-11+,25-12+","","2011-03-14","2011-11-11","(2E)-N-hydroxy-2-(1-{4-[({4-[(1E)-N-(N'-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}carbamoyl)amino]phenyl}ethylidene)hydrazinecarboximidamide",""],["IY8","methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid","C19 H35 O6 P","COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O;CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC","InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1","","2022-04-20","2024-09-27","methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid","2022-09-28"],["YCG","[5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone","C18 H19 N3 O","Cc1ccccc1C2=NN(C(=O)c3ccncc3)C(C)(C)C2;Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3","InChI=1S/C18H19N3O/c1-13-6-4-5-7-15(13)16-12-18(2,3)21(20-16)17(22)14-8-10-19-11-9-14/h4-11H,12H2,1-3H3","","2021-02-18","2021-08-20","[5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone","2021-08-25"],["IY9","[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate","C9 H10 N3 O7 P","NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2;c1c(c(oc1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C9H10N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-3,13H,4H2,(H2,10,11,14)(H2,15,16,17)","","2022-08-02","2023-07-28","[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate","2023-08-02"],["1A5","4-(2-oxo-1,3-oxazolidin-3-yl)benzamide","C10 H10 N2 O3","O=C(c2ccc(N1C(=O)OCC1)cc2)N;NC(=O)c1ccc(cc1)N2CCOC2=O;c1cc(ccc1C(=O)N)N2CCOC2=O","InChI=1S/C10H10N2O3/c11-9(13)7-1-3-8(4-2-7)12-5-6-15-10(12)14/h1-4H,5-6H2,(H2,11,13)","","2012-11-15","2013-03-29","4-(2-oxo-1,3-oxazolidin-3-yl)benzamide","2013-04-03"],["YCH","[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol","C3 H7 B O4","OC[CH]1COB(O)O1;B1(OCC(O1)CO)O","InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1","","2023-06-13","2024-09-27","[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol","2024-01-17"],["1A6","3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine","C11 H10 N4 O S","S(c1nnc2ccccn12)Cc3onc(c3)C;Cc1cc(CSc2nnc3ccccn23)on1;Cc1cc(on1)CSc2nnc3n2cccc3","InChI=1S/C11H10N4OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11/h2-6H,7H2,1H3","","2012-11-15","2013-03-29","3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine","2013-04-03"],["IYA","N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide","C23 H20 F N3 O3 S","CC(=O)Nc1cccc(c1)OCCCOc1ncnc2scc(c12)c1ccc(F)cc1;CC(=O)Nc1cccc(OCCCOc2ncnc3scc(c4ccc(F)cc4)c23)c1;CC(=O)Nc1cccc(c1)OCCCOc2c3c(csc3ncn2)c4ccc(cc4)F","InChI=1S/C23H20FN3O3S/c1-15(28)27-18-4-2-5-19(12-18)29-10-3-11-30-22-21-20(13-31-23(21)26-14-25-22)16-6-8-17(24)9-7-16/h2,4-9,12-14H,3,10-11H2,1H3,(H,27,28)","","2022-02-01","2022-10-07","N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide","2022-10-12"],["1A7","4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one","C9 H6 F N O S","O=C2SC=C(c1c(F)cccc1)N2;Fc1ccccc1C2=CSC(=O)N2;c1ccc(c(c1)C2=CSC(=O)N2)F","InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12)","","2012-11-15","2013-03-29","4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one","2013-04-03"],["IYB","undecyl dihydrogen phosphate","C11 H25 O4 P","CCCCCCCCCCCO[P](O)(O)=O;CCCCCCCCCCCOP(=O)(O)O","InChI=1S/C11H25O4P/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h2-11H2,1H3,(H2,12,13,14)","","2022-04-20","2024-09-27","undecyl dihydrogen phosphate","2022-09-28"],["YCI","8-{4-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C16 H10 F N O6 S","FS(=O)(=O)Oc1ccc(cc1)c1cccc2c1NC=C(C2=O)C(=O)O;OC(=O)C1=CNc2c(cccc2c3ccc(O[S](F)(=O)=O)cc3)C1=O;c1cc(c2c(c1)C(=O)C(=CN2)C(=O)O)c3ccc(cc3)OS(=O)(=O)F","InChI=1S/C16H10FNO6S/c17-25(22,23)24-10-6-4-9(5-7-10)11-2-1-3-12-14(11)18-8-13(15(12)19)16(20)21/h1-8H,(H,18,19)(H,20,21)","","2023-11-30","2024-09-20","8-{4-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2024-09-25"],["1A8","N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide","C17 H17 N3 O4 S3","O=C3SC=C(c2cc(NS(=O)(=O)c1sccc1)cc(NC(=O)CCC)c2)N3;CCCC(=O)Nc1cc(N[S](=O)(=O)c2sccc2)cc(c1)C3=CSC(=O)N3;CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3","InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)","","2012-11-15","2013-03-29","N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide","2013-04-03"],["IYC","Elzovantinib","C20 H20 F N7 O2","CCN1Cc2c(O[CH](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N;CCN1Cc2c(ccc(c2C#N)F)OC(CNC(=O)c3c(nn4c3nc1cc4)N)C","InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1","(11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile; TPX-0022","2023-08-04","2024-07-26","","2024-07-31"],["YCJ","(5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone","C25 H26 N2 O2","Cc1ccc(c2ccncc2)c(c1)C(=O)N3CCC(O)(CC3)Cc4ccccc4;Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4","InChI=1S/C25H26N2O2/c1-19-7-8-22(21-9-13-26-14-10-21)23(17-19)24(28)27-15-11-25(29,12-16-27)18-20-5-3-2-4-6-20/h2-10,13-14,17,29H,11-12,15-16,18H2,1H3","","2021-02-18","2021-08-20","(5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone","2021-08-25"],["YCK","N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide","C17 H35 N4 O8 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(N)CC(C)C;CC(C)C[CH](N)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C)CC(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)N","InChI=1S/C17H35N4O8P/c1-11(2)9-12(18)15(24)21-8-7-19-13(22)5-6-20-16(25)14(23)17(3,4)10-29-30(26,27)28/h11-12,14,23H,5-10,18H2,1-4H3,(H,19,22)(H,20,25)(H,21,24)(H2,26,27,28)/t12-,14-/m0/s1","","2023-01-24","2024-09-27","N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide","2023-06-21"],["1A9","3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide","C22 H25 N3 O4 S3","O=C4SC=C(c3cc(NS(=O)(=O)c1sccc1)cc(NC(=O)CCC2CCCCC2)c3)N4;O=C(CCC1CCCCC1)Nc2cc(N[S](=O)(=O)c3sccc3)cc(c2)C4=CSC(=O)N4;c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4","InChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27)","","2012-11-15","2013-03-29","3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide","2013-04-03"],["IYD","N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C23 H24 N6 O3","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCOC;COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4;Cn1c(c(cn1)C(=O)N(C)CCOC)C(=O)Nc2ccn3cc(nc3c2)c4ccccc4","InChI=1S/C23H24N6O3/c1-27(11-12-32-3)23(31)18-14-24-28(2)21(18)22(30)25-17-9-10-29-15-19(26-20(29)13-17)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,25,30)","","2022-02-01","2022-10-07","N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["IYE","[9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C34 H40 F3 N4 O8 S","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCN[S](=O)(=O)C(F)(F)F)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCNS(=O)(=O)C(F)(F)F","InChI=1S/C34H39F3N4O8S/c1-40(2)23-8-11-26-29(20-23)49-30-21-24(41(3)4)9-12-27(30)31(26)28-19-22(7-10-25(28)33(43)44)32(42)38-14-16-48-18-17-47-15-6-5-13-39-50(45,46)34(35,36)37/h7-12,19-21,39H,5-6,13-18H2,1-4H3,(H-,38,42,43,44)/p+1","","2022-04-20","2023-04-14","[9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2023-04-19"],["YCL","2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid","C15 H19 Cl N4 O4","ClCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O;NC(=O)[CH](CCCNC(=N)CCl)NC(=O)c1ccccc1C(O)=O;c1ccc(c(c1)C(=O)NC(CCCNC(=N)CCl)C(=O)N)C(=O)O","InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1","o-Cl-amidine","2011-08-08","2024-09-27","2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid",""],["1AA","5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE","C18 H24 N4 O13 P2","O=P(O)(OCCOC(=O)c1ccccc1N)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OCCOC(=O)c3ccccc3N)[CH](O)[CH]2O;c1ccc(c(c1)C(=O)OCCOP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)N","InChI=1S/C18H24N4O13P2/c19-11-4-2-1-3-10(11)17(25)31-7-8-32-36(27,28)35-37(29,30)33-9-12-14(23)15(24)16(34-12)22-6-5-13(20)21-18(22)26/h1-6,12,14-16,23-24H,7-9,19H2,(H,27,28)(H,29,30)(H2,20,21,26)/t12-,14-,15-,16-/m1/s1","","2005-09-26","2011-06-04","5'-O-[(S)-{[(R)-(2-{[(2-aminophenyl)carbonyl]oxy}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine",""],["IYF","1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine","C20 H22 Cl N5 O","CCc1cc(O)cc2c(c[nH]c12)C=NNC(=N)NCCc3ccc(Cl)cc3;CCc1cc(cc2c1[nH]cc2C=NNC(=N)NCCc3ccc(cc3)Cl)O","InChI=1S/C20H22ClN5O/c1-2-14-9-17(27)10-18-15(11-24-19(14)18)12-25-26-20(22)23-8-7-13-3-5-16(21)6-4-13/h3-6,9-12,24,27H,2,7-8H2,1H3,(H3,22,23,26)/b25-12+","","2022-08-03","2023-02-24","1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1~{H}-indol-3-yl)methylideneamino]guanidine","2023-03-01"],["1AB","1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL","C5 H11 N O3","OCC1NCC(O)C1O;OC[CH]1NC[CH](O)[CH]1O;C1C(C(C(N1)CO)O)O","InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1","","2006-03-29","2011-06-04","(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol",""],["YCM","S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE","C5 H10 N2 O3 S","O=C(O)C(N)CSCC(=O)N;N[CH](CSCC(N)=O)C(O)=O;C(C(C(=O)O)N)SCC(=O)N","InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1","CYSTEINE-S-ACETAMIDE","2002-02-18","2024-09-27","S-(2-amino-2-oxoethyl)-L-cysteine",""],["1AC","1-AMINOCYCLOPROPANECARBOXYLIC ACID","C4 H7 N O2","O=C(O)C1(N)CC1;NC1(CC1)C(O)=O;C1CC1(C(=O)O)N","InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)","","2002-11-27","2024-09-27","1-aminocyclopropanecarboxylic acid",""],["YCN","1,4,7,10-tetraazacyclododecane","C8 H20 N4","C1CNCCNCCNCCN1;C1CNCCNCCNCCN1","InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2","Cyclen","2010-01-20","2021-03-01","3,6,9,12-tetrazacyclododecane",""],["IYG","N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE","C13 H14 I2 N2 O5","Ic1cc(cc(I)c1O)CC(C(=O)NCC(=O)O)NC(=O)C;CC(=O)N[CH](Cc1cc(I)c(O)c(I)c1)C(=O)NCC(O)=O;CC(=O)NC(Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O","InChI=1S/C13H14I2N2O5/c1-6(18)17-10(13(22)16-5-11(19)20)4-7-2-8(14)12(21)9(15)3-7/h2-3,10,21H,4-5H2,1H3,(H,16,22)(H,17,18)(H,19,20)/t10-/m0/s1","","1999-07-08","2011-06-04","N-acetyl-3,5-diiodo-L-tyrosylglycine",""],["IYH","6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid","C12 H11 N5 O2","O=C(O)c1nc(cnc1Nc1cncnc1)C1CC1;OC(=O)c1nc(cnc1Nc2cncnc2)C3CC3;c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)O","InChI=1S/C12H11N5O2/c18-12(19)10-11(16-8-3-13-6-14-4-8)15-5-9(17-10)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19)","","2022-02-01","2022-10-07","6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid","2022-10-12"],["1AD","(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE","C15 H25 N3 O","O=C(N1C(C#CC)CCC1CN)C(N)C2CCCC2;CC#C[CH]1CC[CH](CN)N1C(=O)[CH](N)C2CCCC2;CC#CC1CCC(N1C(=O)C(C2CCCC2)N)CN","InChI=1S/C15H25N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-10,16-17H2,1H3/t12-,13-,14-/m0/s1","","2006-05-05","2024-09-27","(1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine",""],["YCO","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one","C15 H16 N3 O8 P","O=P(O)(O)OCC4OC(N2C(=O)NC1=Nc3ccccc3OC1=C2)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3Oc4ccccc4N=C3NC2=O;c1ccc2c(c1)N=C3C(=CN(C(=O)N3)C4CC(C(O4)COP(=O)(O)O)O)O2","InChI=1S/C15H16N3O8P/c19-9-5-13(26-12(9)7-24-27(21,22)23)18-6-11-14(17-15(18)20)16-8-3-1-2-4-10(8)25-11/h1-4,6,9,12-13,19H,5,7H2,(H,16,17,20)(H2,21,22,23)/t9-,12+,13+/m0/s1","","2011-02-10","2012-02-03","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one",""],["1AE","(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE","C6 H11 O6 P","O=P(OC=C(/O)C(=O)CCC)(O)O;CCCC(=O)C(O)=CO[P](O)(O)=O;CCCC(=O)C(=COP(=O)(O)O)O","InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-","2,3-DIKETOHEXANE 1-PHOSPHATE","2007-01-12","2020-06-17","(1Z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate",""],["IYI","[9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C35 H42 F3 N4 O8 S","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCN[S](=O)(=O)C(F)(F)F)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCNS(=O)(=O)C(F)(F)F","InChI=1S/C35H41F3N4O8S/c1-41(2)24-9-12-27-30(21-24)50-31-22-25(42(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(44)45)33(43)39-15-17-49-19-18-48-16-7-5-6-14-40-51(46,47)35(36,37)38/h8-13,20-22,40H,5-7,14-19H2,1-4H3,(H-,39,43,44,45)/p+1","","2022-04-20","2023-02-17","[9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2023-02-22"],["YCP","(2S)-piperidine-2-carboxylic acid","C6 H11 N O2","OC(=O)[CH]1CCCCN1;C1CCNC(C1)C(=O)O","InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1","","2010-01-07","2024-09-27","(2S)-piperidine-2-carboxylic acid",""],["1AF","2,4-BIS{[4-(N-CYCLOPENTYLDIAMINOMETHYL)PHENYL]}FURAN","C28 H36 N4 O","o3c(cc(c1ccc(cc1)C(N)NC2CCCC2)c3)c4ccc(cc4)C(N)NC5CCCC5;N[CH](NC1CCCC1)c2ccc(cc2)c3occ(c3)c4ccc(cc4)[CH](N)NC5CCCC5;c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5","InChI=1S/C28H36N4O/c29-27(31-24-5-1-2-6-24)21-13-9-19(10-14-21)23-17-26(33-18-23)20-11-15-22(16-12-20)28(30)32-25-7-3-4-8-25/h9-18,24-25,27-28,31-32H,1-8,29-30H2/t27-,28-/m0/s1","","2006-05-09","2011-06-04","(S,S)-(furan-2,4-diyldibenzene-4,1-diyl)bis(N-cyclopentylmethanediamine)",""],["YCQ","1alpha,3beta-dihydroxy-14-methyl-23-oxo-5beta,14beta,17alpha-9,19-cycloergost-24(28)-ene-4alpha-carboxylic acid","C30 H46 O5","CC(C)C(=C)C(=O)CC(C)C1CCC2(C)C3CCC4C(C(=O)O)C(O)CC(O)C44CC34CCC12C;CC(C)C(=C)C(=O)C[CH](C)[CH]1CC[C]2(C)[CH]3CC[CH]4[CH]([CH](O)C[CH](O)[C]45C[C]35CC[C]12C)C(O)=O;CC(C)C(=C)C(=O)CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5C(=O)O)O)O)C)C","InChI=1S/C30H46O5/c1-16(2)18(4)21(31)13-17(3)19-9-10-28(6)23-8-7-20-25(26(34)35)22(32)14-24(33)30(20)15-29(23,30)12-11-27(19,28)5/h16-17,19-20,22-25,32-33H,4,7-15H2,1-3,5-6H3,(H,34,35)/t17?,19-,20?,22?,23+,24?,25?,27-,28+,29+,30-/m1/s1","","2023-06-13","2024-12-13","1alpha,3beta-dihydroxy-14-methyl-23-oxo-5beta,14beta,17alpha-9,19-cycloergost-24(28)-ene-4alpha-carboxylic acid","2024-12-18"],["IYJ","(6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine","C9 H7 Cl2 N5","Clc1cccc(c1Cl)c1nnc(N)nc1N;Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl;c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N","InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)","","2023-08-04","2023-11-17","(6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine","2023-11-22"],["YCR","3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione","C21 H18 Cl N5 O4","Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(c4cncc(Cl)c4)C(=O)c3c2C;Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cc(cnc3)Cl)C(=O)c4c(nn(c4O)C)C","InChI=1S/C21H18ClN5O4/c1-10-14(18(28)17-11(2)24-26(4)19(17)29)5-6-15-16(10)20(30)27(21(31)25(15)3)13-7-12(22)8-23-9-13/h5-9,29H,1-4H3","","2023-11-29","2024-11-15","3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione","2024-11-20"],["IYK","2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline","C19 H15 Cl N4 O","Cn1cc(nc1COc1nc2ccccc2nc1Cl)c1ccccc1;Cn1cc(nc1COc2nc3ccccc3nc2Cl)c4ccccc4;Cn1cc(nc1COc2c(nc3ccccc3n2)Cl)c4ccccc4","InChI=1S/C19H15ClN4O/c1-24-11-16(13-7-3-2-4-8-13)21-17(24)12-25-19-18(20)22-14-9-5-6-10-15(14)23-19/h2-11H,12H2,1H3","","2022-02-01","2022-10-07","2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline","2022-10-12"],["1AG","(2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","C23 H38 O4","O=C(OCC(O)CO)CCCC=C/CC=C/CC=C/CC=C/CCCCC;CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](O)CO;CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)O","InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1","","2010-04-13","2011-06-04","(2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate",""],["YCS","(2~{R})-2-(4-bromanylphenoxy)propanamide","C9 H10 Br N O2","C[CH](Oc1ccc(Br)cc1)C(N)=O;CC(C(=O)N)Oc1ccc(cc1)Br","InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1","","2021-02-22","2021-12-31","(2~{R})-2-(4-bromanylphenoxy)propanamide","2022-01-05"],["1AH","3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE","C34 H41 Br N4 O6","Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4;COC(=O)N[CH](C(=O)NN(Cc1ccc(Br)cc1)C[C](O)(Cc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)C(C)(C)C;CC(C)(C)C(C(=O)NN(Cc1ccc(cc1)Br)CC(Cc2ccccc2)(C(=O)NC3c4ccccc4CC3O)O)NC(=O)OC","InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1","","2006-02-07","2011-06-04","methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["IYL","[9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C34 H42 N3 O7","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCO)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCO","InChI=1S/C34H41N3O7/c1-36(2)24-9-12-27-30(21-24)44-31-22-25(37(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-14-17-43-19-18-42-16-7-5-6-15-38/h8-13,20-22,38H,5-7,14-19H2,1-4H3,(H-,35,39,40,41)/p+1","","2022-04-20","2023-02-17","[9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2023-02-22"],["YCT","2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate","C17 H34 N3 O9 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCOC(=O)C(N)CC(C)C;CC(C)C[CH](N)C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C)CC(C(=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)N","InChI=1S/C17H34N3O9P/c1-11(2)9-12(18)16(24)28-8-7-19-13(21)5-6-20-15(23)14(22)17(3,4)10-29-30(25,26)27/h11-12,14,22H,5-10,18H2,1-4H3,(H,19,21)(H,20,23)(H2,25,26,27)/t12-,14-/m0/s1","","2023-01-24","2024-09-27","2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate","2023-06-21"],["IYM","[(1S)-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-yl-methanone","C28 H35 N3 O5","CCOc1cc2[CH](CCc3c[nH]c4ccc(OC)cc34)N(CCc2cc1OC)C(=O)N5CCOCC5;CCOc1cc2c(cc1OC)CCN(C2CCc3c[nH]c4c3cc(cc4)OC)C(=O)N5CCOCC5","InChI=1S/C28H35N3O5/c1-4-36-27-17-23-19(15-26(27)34-3)9-10-31(28(32)30-11-13-35-14-12-30)25(23)8-5-20-18-29-24-7-6-21(33-2)16-22(20)24/h6-7,15-18,25,29H,4-5,8-14H2,1-3H3/t25-/m0/s1","","2022-08-03","2023-02-24","[(1~{S})-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1~{H}-indol-3-yl)ethyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]-morpholin-4-yl-methanone","2023-03-01"],["1AI","~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide","C21 H22 N4 O","Cc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3C;Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C","InChI=1S/C21H22N4O/c1-15-7-3-5-9-17(15)13-24-20-19(22-11-12-23-20)21(26)25-14-18-10-6-4-8-16(18)2/h3-12H,13-14H2,1-2H3,(H,23,24)(H,25,26)","","2021-06-09","2021-07-23","~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide","2021-07-28"],["IYN","2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline","C20 H22 N4","Cc1nc2ccccc2nc1CCC1CCN(C1)c1ncccc1;Cc1nc2ccccc2nc1CC[CH]3CCN(C3)c4ccccn4;Cc1c(nc2ccccc2n1)CCC3CCN(C3)c4ccccn4","InChI=1S/C20H22N4/c1-15-17(23-19-7-3-2-6-18(19)22-15)10-9-16-11-13-24(14-16)20-8-4-5-12-21-20/h2-8,12,16H,9-11,13-14H2,1H3","","2022-02-01","2022-10-07","2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline","2022-10-12"],["YCU","1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA","C17 H23 N5 O6 S2","CNC(=O)Nc1cc(OC)cc(NC(=O)N[S](=O)(=O)c2sc(CCOC)c(C)c2)n1;Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC","InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24)","RO5207315","2011-01-14","2020-06-17","1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea",""],["1AJ","6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone","C11 H11 N3 O S","O=C(N2CCc1sccc1C2)n3ccnc3;O=C(N1CCc2sccc2C1)n3ccnc3;c1csc2c1CN(CC2)C(=O)n3ccnc3","InChI=1S/C11H11N3OS/c15-11(14-5-3-12-8-14)13-4-1-10-9(7-13)2-6-16-10/h2-3,5-6,8H,1,4,7H2","","2012-11-15","2013-03-29","6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone","2013-04-03"],["YCV","2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide","C19 H19 N3 O4","COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23;CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O","InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)","","2021-02-22","2024-09-27","2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide","2021-11-10"],["IYO","[9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C35 H45 N4 O8 S","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCN[S](C)(=O)=O)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCNS(=O)(=O)C","InChI=1S/C35H44N4O8S/c1-38(2)25-10-13-28-31(22-25)47-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)36-16-18-46-20-19-45-17-8-6-7-15-37-48(5,43)44/h9-14,21-23,37H,6-8,15-20H2,1-5H3,(H-,36,40,41,42)/p+1","","2022-04-20","2023-02-17","[9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2023-02-22"],["1AK","4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile","C25 H16 Cl N7 O3 S","O=S(=O)(c1ccc(nc1)c3nnc(n3c2ccccc2Cl)C=Cc4nnc(o4)c5ccc(C#N)cc5)C;C[S](=O)(=O)c1ccc(nc1)c2nnc(C=Cc3oc(nn3)c4ccc(cc4)C#N)n2c5ccccc5Cl;CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)C=Cc4nnc(o4)c5ccc(cc5)C#N","InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+","","2012-11-15","2013-03-15","4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile","2013-03-20"],["1AL","ALLANTOATE ION","C4 H7 N4 O4","O=C(NC(C([O-])=O)NC(=O)N)N;NC(=O)NC(NC(N)=O)C([O-])=O;C(C(=O)[O-])(NC(=O)N)NC(=O)N","InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1","DIUREIDO-ACETATE","2005-03-16","2021-03-01","bis(carbamoylamino)acetate",""],["IYP","(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate","C6 H11 N2 O6 P","O=P(O)(O)OCC(O)C(O)c1cncn1;O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1;c1c([nH]cn1)C(C(COP(=O)(O)O)O)O","InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1","","2012-09-18","2013-08-23","(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate","2013-08-28"],["YCW","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(cyclopropylmethoxy)naphthalen-2-yl]methanone","C30 H29 N5 O3","O=C(c1cc2ccccc2c(OCC2CC2)c1)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1;O=C(N1C[CH]2[CH](C1)[CH]3CN(C[CH]23)C(=O)c4cc(OCC5CC5)c6ccccc6c4)c7ccc8[nH]nnc8c7;c1ccc2c(c1)cc(cc2OCC3CC3)C(=O)N4CC5C6CN(CC6C5C4)C(=O)c7ccc8c(c7)nn[nH]8","InChI=1S/C30H29N5O3/c36-29(19-7-8-26-27(10-19)32-33-31-26)34-12-22-23(13-34)25-15-35(14-24(22)25)30(37)20-9-18-3-1-2-4-21(18)28(11-20)38-16-17-5-6-17/h1-4,7-11,17,22-25H,5-6,12-16H2,(H,31,32,33)/t22-,23+,24+,25-","","2023-06-13","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(cyclopropylmethoxy)naphthalen-2-yl]methanone","2024-12-18"],["1AM","2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide","C22 H22 N6 O3 S","O=C5c1c(ccc(OC)c1)CN5c2nc(cs2)C(=O)Nc4c(N3CCNCC3)ccnc4;COc1ccc2CN(C(=O)c2c1)c3scc(n3)C(=O)Nc4cnccc4N5CCNCC5;COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5","InChI=1S/C22H22N6O3S/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29)","","2012-11-16","2013-03-01","2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide","2013-03-06"],["IYQ","3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide","C14 H13 Cl N6 O","CNc1nc(Cl)nc2n(Cc3cccc(c3)C(N)=O)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)N","InChI=1S/C14H13ClN6O/c1-17-12-10-13(20-14(15)19-12)21(7-18-10)6-8-3-2-4-9(5-8)11(16)22/h2-5,7H,6H2,1H3,(H2,16,22)(H,17,19,20)","","2023-08-04","2023-12-01","3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide","2023-12-06"],["YCX","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-2,3,4,5,6-pentakis(oxidanyl)hexyl] hydrogen phosphate","C15 H27 N3 O16 P2","OCC(O)C(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(O)C1O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)[CH](O)CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(C(C(C(CO)O)O)O)O)O)O","InChI=1S/C15H27N3O16P2/c16-9-1-2-18(15(26)17-9)14-13(25)12(24)8(33-14)5-32-36(29,30)34-35(27,28)31-4-7(21)11(23)10(22)6(20)3-19/h1-2,6-8,10-14,19-25H,3-5H2,(H,27,28)(H,29,30)(H2,16,17,26)/t6-,7+,8+,10+,11+,12+,13+,14+/m0/s1","","2023-12-01","2023-12-15","[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl dihydrogen diphosphate (non-preferred name)","2023-12-20"],["1AN","2-FLUOROANILINE","C6 H6 F N","Fc1ccccc1N;Nc1ccccc1F;c1ccc(c(c1)N)F","InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2","","2002-04-18","2011-06-04","2-fluoroaniline",""],["IYR","3-IODO-TYROSINE","C9 H10 I N O3","Ic1cc(ccc1O)CC(C(=O)O)N;N[CH](Cc1ccc(O)c(I)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)I)O","InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1","","1999-07-08","2024-09-27","3-iodo-L-tyrosine",""],["YCY","4-methoxy-~{N}-phenyl-benzenesulfonamide","C13 H13 N O3 S","COc1ccc(cc1)[S](=O)(=O)Nc2ccccc2;COc1ccc(cc1)S(=O)(=O)Nc2ccccc2","InChI=1S/C13H13NO3S/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h2-10,14H,1H3","","2021-02-22","2021-12-31","4-methoxy-~{N}-phenyl-benzenesulfonamide","2022-01-05"],["IYS","2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione","C25 H19 N3 O4","COc1ccc(cc1)N1C(=O)c2ccccc2N=C1CCN1C(=O)c2ccccc2C1=O;COc1ccc(cc1)N2C(=O)c3ccccc3N=C2CCN4C(=O)c5ccccc5C4=O;COc1ccc(cc1)N2C(=Nc3ccccc3C2=O)CCN4C(=O)c5ccccc5C4=O","InChI=1S/C25H19N3O4/c1-32-17-12-10-16(11-13-17)28-22(26-21-9-5-4-8-20(21)25(28)31)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3","","2022-02-01","2022-10-07","2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione","2022-10-12"],["YCZ","~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","C13 H13 F3 N8 O S","CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F;CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F","InChI=1S/C13H13F3N8OS/c1-3-6-26-12-20-18-9-7(4-5-8(24(9)12)13(14,15)16)10(25)17-11-19-21-22-23(11)2/h4-5H,3,6H2,1-2H3,(H,17,19,22,25)","","2023-11-30","2024-11-15","~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","2024-11-20"],["1AO","2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide","C21 H20 N6 O S","O=C(c1nc(sc1)n3ncc2ccccc23)Nc5ccccc5N4CCNCC4;O=C(Nc1ccccc1N2CCNCC2)c3csc(n3)n4ncc5ccccc45;c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5","InChI=1S/C21H20N6OS/c28-20(24-16-6-2-4-8-19(16)26-11-9-22-10-12-26)17-14-29-21(25-17)27-18-7-3-1-5-15(18)13-23-27/h1-8,13-14,22H,9-12H2,(H,24,28)","","2012-11-16","2013-03-01","2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide","2013-03-06"],["1AP","2,6-DIAMINOPURINE NUCLEOTIDE","C10 H15 N6 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N)CC3O;Nc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;c1nc2c(nc(nc2n1C3CC(C(O3)COP(=O)(O)O)O)N)N","InChI=1S/C10H15N6O6P/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,18,19,20)(H4,11,12,14,15)/t4-,5+,6+/m0/s1","","1999-10-08","2011-06-04","2-amino-2'-deoxyadenosine 5'-(dihydrogen phosphate)",""],["IYT","N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE","C15 H18 I2 N2 O6","Ic1cc(cc(I)c1O)CC(C(=O)NC(C(=O)O)C(O)C)NC(=O)C;C[CH](O)[CH](NC(=O)[CH](Cc1cc(I)c(O)c(I)c1)NC(C)=O)C(O)=O;CC(C(C(=O)O)NC(=O)C(Cc1cc(c(c(c1)I)O)I)NC(=O)C)O","InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)/t6-,11+,12-/m1/s1","THREONINE DERIVATIVE","2004-03-03","2020-06-17","N-acetyl-3,5-diiodo-L-tyrosyl-D-allothreonine",""],["YD0","(2E)-1-[(3aR,8aS)-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","C25 H28 F3 N5 O3","FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)N1CCc2[NH]ncc2C1;FC(F)(F)Oc1ccc(C=CC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)N4CCc5[nH]ncc5C4)cc1;c1cc(ccc1C=CC(=O)N2CCC3CN(CC3CC2)C(=O)N4CCc5c(cn[nH]5)C4)OC(F)(F)F","InChI=1S/C25H28F3N5O3/c26-25(27,28)36-21-4-1-17(2-5-21)3-6-23(34)31-10-7-18-14-33(15-19(18)8-11-31)24(35)32-12-9-22-20(16-32)13-29-30-22/h1-6,13,18-19H,7-12,14-16H2,(H,29,30)","","2023-06-13","2024-12-13","(2E)-1-[(3aR,8aS)-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","2024-12-18"],["YD1","6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione","C15 H14 Cl2 N4 O3","Clc1ccc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl","InChI=1S/C15H14Cl2N4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)","","2021-02-22","2021-02-26","6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione","2021-03-03"],["IYU","[9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C34 H43 N4 O8 S","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCN[S](C)(=O)=O)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCNS(=O)(=O)C","InChI=1S/C34H42N4O8S/c1-37(2)24-9-12-27-30(21-24)46-31-22-25(38(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-15-17-45-19-18-44-16-7-6-14-36-47(5,42)43/h8-13,20-22,36H,6-7,14-19H2,1-5H3,(H-,35,39,40,41)/p+1","","2022-04-20","2023-04-14","[9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2023-04-19"],["1AQ","(3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide","C31 H45 F2 N5 O5","FC1(F)CCC(CC1)C(NC(=O)C(NC)C)C(=O)N2CC5N(CC2C(=O)NC3c4c(OCC3)cccc4)CC(OCC)C5;CCO[CH]1C[CH]2CN([CH](CN2C1)C(=O)N[CH]3CCOc4ccccc34)C(=O)[CH](NC(=O)[CH](C)NC)C5CCC(F)(F)CC5;CCOC1CC2CN(C(CN2C1)C(=O)NC3CCOc4c3cccc4)C(=O)C(C5CCC(CC5)(F)F)NC(=O)C(C)NC","InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1","","2012-11-16","2013-07-30","(3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide","2013-01-25"],["1AR","4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE","C9 H16 O5","O=C(OC1C(OC(O)CC1(O)C)C)C;C[CH]1O[CH](O)C[C](C)(O)[CH]1OC(C)=O;CC1C(C(CC(O1)O)(C)O)OC(=O)C","InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1","","1999-07-08","2011-06-04","4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose",""],["IYV","(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol","C9 H19 N O5 S","CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O;CC(C(C1C(C(C(C(O1)SC)O)O)O)N)O","InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1","","2022-08-04","2023-07-28","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol","2023-08-02"],["YD2","3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C23 H19 F N2 O5","CN1C(=O)N(C(=O)c2cc(C)c(cc12)C(=O)C3=C(O)CCCC3=O)c4ccc(F)cc4;Cc1cc2c(cc1C(=O)C3=C(CCCC3=O)O)N(C(=O)N(C2=O)c4ccc(cc4)F)C","InChI=1S/C23H19FN2O5/c1-12-10-16-17(11-15(12)21(29)20-18(27)4-3-5-19(20)28)25(2)23(31)26(22(16)30)14-8-6-13(24)7-9-14/h6-11,27H,3-5H2,1-2H3","","2023-11-30","2024-11-15","3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2024-11-20"],["1AS","(~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid","C35 H33 F O8","COc1c(CC=C(C)C)c2C(=O)c3c(Oc2cc1OCc4ccc(F)cc4)cc5OC(C)(C)C=Cc5c3OCC=CC(O)=O;CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OCC=CC(=O)O)C=CC(O5)(C)C)C","InChI=1S/C35H33FO8/c1-20(2)8-13-24-30-26(18-28(33(24)40-5)42-19-21-9-11-22(36)12-10-21)43-27-17-25-23(14-15-35(3,4)44-25)34(31(27)32(30)39)41-16-6-7-29(37)38/h6-12,14-15,17-18H,13,16,19H2,1-5H3,(H,37,38)/b7-6+","","2021-06-17","2021-10-15","(~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid","2021-10-20"],["YD3","8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one","C27 H34 N4 O4 S","Cc1cncc(c1)c2ccc(N[CH]3CCNC[CH]3OCC4CC[S](=O)(=O)CC4)c5NC(=O)C(=Cc25)C;Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)NC4CCNCC4OCC5CCS(=O)(=O)CC5","InChI=1S/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/m1/s1","","2015-07-11","2015-08-07","8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one","2015-08-12"],["IYW","1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one","C20 H16 N4 O","O=C1C=CN(Cc2ccccc2)N=C1c1ccnn1c1ccccc1;O=C1C=CN(Cc2ccccc2)N=C1c3ccnn3c4ccccc4;c1ccc(cc1)CN2C=CC(=O)C(=N2)c3ccnn3c4ccccc4","InChI=1S/C20H16N4O/c25-19-12-14-23(15-16-7-3-1-4-8-16)22-20(19)18-11-13-21-24(18)17-9-5-2-6-10-17/h1-14H,15H2","","2022-02-01","2022-10-07","1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one","2022-10-12"],["YD4","4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione","C26 H33 N5 O4 S","O=C1Nc3c(C=C1C)c(c2cc(cnc2)C)cnc3NC5C(OCC4CCS(=O)(=O)CC4)CNCC5;Cc1cncc(c1)c2cnc(N[CH]3CCNC[CH]3OCC4CC[S](=O)(=O)CC4)c5NC(=O)C(=Cc25)C;Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)NC4CCNCC4OCC5CCS(=O)(=O)CC5","InChI=1S/C26H33N5O4S/c1-16-9-19(12-28-11-16)21-13-29-25(24-20(21)10-17(2)26(32)31-24)30-22-3-6-27-14-23(22)35-15-18-4-7-36(33,34)8-5-18/h9-13,18,22-23,27H,3-8,14-15H2,1-2H3,(H,29,30)(H,31,32)/t22-,23-/m1/s1","","2017-12-05","2020-10-23","4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione","2020-10-28"],["1AT","beta-D-fructofuranosyl 6-O-decanoyl-alpha-D-glucopyranoside","C22 H40 O12","O=C(OCC2OC(OC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2O)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-15(25)31-11-14-16(26)18(28)19(29)21(32-14)34-22(12-24)20(30)17(27)13(10-23)33-22/h13-14,16-21,23-24,26-30H,2-12H2,1H3/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1","","2012-11-16","2013-06-21","beta-D-fructofuranosyl 6-O-decanoyl-alpha-D-glucopyranoside","2013-06-26"],["IYX","1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine","C17 H18 N2 O2 S","COc1ccc(cc1OC)c2ccc3sc(cc3c2)C(N)N;COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N","InChI=1S/C17H18N2O2S/c1-20-13-5-3-11(8-14(13)21-2)10-4-6-15-12(7-10)9-16(22-15)17(18)19/h3-9,17H,18-19H2,1-2H3","","2010-01-22","2011-06-04","[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine",""],["IYY","L-cystine","C6 H12 N2 O4 S2","N[CH](CSSC[CH](N)C(O)=O)C(O)=O;C(C(C(=O)O)N)SSCC(C(=O)O)N","InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1","(2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid","2022-04-20","2022-08-26","(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid","2022-08-31"],["1AU","1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea","C24 H25 N5 O","O=C(Nc2c1ccccc1ccc2)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C;CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4cccc(N)c4;CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4","InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)","1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-naphthalen-1-yl-urea","2008-11-05","2021-03-01","1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea",""],["YD5","N-(2-carboxyethyl)-L-alanine","C6 H11 N O4","OC(=O)CCNC(C)C(=O)O;C[CH](NCCC(O)=O)C(O)=O;CC(C(=O)O)NCCC(=O)O","InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1","","2023-01-25","2024-10-11","N-(2-carboxyethyl)-L-alanine","2024-10-16"],["IYZ","1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE","C18 H18 N4 O","O=C(c4cccc(c1cnc2ccc(nn12)NCC3CC3)c4)C;CC(=O)c1cccc(c1)c2cnc3ccc(NCC4CC4)nn23;CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4","InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)","IMIDAZOPYRIDAZIN 1","2005-10-07","2021-03-01","1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone",""],["YD6","(7E,13S)-7-[(4-bromophenyl)methylidene]-7,12-dihydro-5H-isoquinolino[2,3-a]quinazolin-5-one","C23 H15 Br N2 O","Brc1ccc(cc1)/C=C1/C2=NC(=O)c3ccccc3N2Cc2ccccc12;Brc1ccc(cc1)C=C2c3ccccc3CN4c5ccccc5C(=O)N=C24;c1ccc2c(c1)CN3c4ccccc4C(=O)N=C3C2=Cc5ccc(cc5)Br","InChI=1S/C23H15BrN2O/c24-17-11-9-15(10-12-17)13-20-18-6-2-1-5-16(18)14-26-21-8-4-3-7-19(21)23(27)25-22(20)26/h1-13H,14H2","","2023-06-13","2024-12-13","(7E,13S)-7-[(4-bromophenyl)methylidene]-7,12-dihydro-5H-isoquinolino[2,3-a]quinazolin-5-one","2024-12-18"],["1AV","7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine","C13 H9 N7 S","n1c(c2nc(sc2nc1N)c3cccnc3)n4ccnc4;Nc1nc2sc(nc2c(n1)n3ccnc3)c4cccnc4;c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4","InChI=1S/C13H9N7S/c14-13-18-10(20-5-4-16-7-20)9-12(19-13)21-11(17-9)8-2-1-3-15-6-8/h1-7H,(H2,14,18,19)","","2012-11-16","2013-02-08","7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine","2013-02-08"],["IZ1","N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide","C27 H23 F3 N4 O5 S2","O=C5NS(=O)(=O)C(c1ccc(cc1)CC(c3nc(c2ccccc2)cn3)NS(=O)(=O)c4cccc(c4)C(F)(F)F)C5;FC(F)(F)c1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)c4[nH]cc(n4)c5ccccc5;c1ccc(cc1)c2c[nH]c(n2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C27H23F3N4O5S2/c28-27(29,30)20-7-4-8-21(14-20)40(36,37)33-22(26-31-16-23(32-26)18-5-2-1-3-6-18)13-17-9-11-19(12-10-17)24-15-25(35)34-41(24,38)39/h1-12,14,16,22,24,33H,13,15H2,(H,31,32)(H,34,35)/t22-,24-/m0/s1","","2007-10-27","2011-06-04","N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide",""],["YD7","~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide","C26 H33 N7 O2","CC(C)OC1CN(C1)C(=O)N[CH]2CCCCc3cc(ccc23)c4ccnc(Nc5cnn(C)c5)n4;CC(C)OC1CN(C1)C(=O)NC2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C","InChI=1S/C26H33N7O2/c1-17(2)35-21-15-33(16-21)26(34)31-24-7-5-4-6-18-12-19(8-9-22(18)24)23-10-11-27-25(30-23)29-20-13-28-32(3)14-20/h8-14,17,21,24H,4-7,15-16H2,1-3H3,(H,31,34)(H,27,29,30)/t24-/m1/s1","","2021-02-22","2022-01-07","~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide","2022-01-12"],["1AW","1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea","C20 H23 N5 O","O=C(Nc1ccccc1)Nc3cc(nn3c2cc(ccc2)N)C(C)(C)C;CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)c3cccc(N)c3;CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3","InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26)","1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-phenyl-urea","2008-11-05","2020-06-17","1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea",""],["YD8","1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone","C20 H25 N5 O","CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4[nH]c(C)c(C(C)=O)c4C;Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C","InChI=1S/C20H25N5O/c1-12-18(14(3)26)13(2)21-19(12)20-22-16-6-5-15(11-17(16)23-20)25-9-7-24(4)8-10-25/h5-6,11,21H,7-10H2,1-4H3,(H,22,23)","","2021-04-06","2022-03-25","1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-1~{H}-pyrrol-3-yl]ethanone","2022-03-30"],["1AX","(2R,2'R)-3,3'-oxydipropane-1,2-diol","C6 H14 O5","OCC(O)COCC(O)CO;OC[CH](O)COC[CH](O)CO;C(C(COCC(CO)O)O)O","InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2/t5-,6-/m1/s1","","2012-11-16","2012-11-30","(2R,2'R)-3,3'-oxydipropane-1,2-diol","2012-11-30"],["IZ2","N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide","C28 H25 F3 N4 O5 S2","O=C5NS(=O)(=O)C(c1ccc(cc1)CC(c2nc(cn2)Cc3ccccc3)NS(=O)(=O)c4cccc(c4)C(F)(F)F)C5;FC(F)(F)c1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)c4[nH]cc(Cc5ccccc5)n4;c1ccc(cc1)Cc2c[nH]c(n2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C28H25F3N4O5S2/c29-28(30,31)21-7-4-8-23(15-21)41(37,38)34-24(27-32-17-22(33-27)13-18-5-2-1-3-6-18)14-19-9-11-20(12-10-19)25-16-26(36)35-42(25,39)40/h1-12,15,17,24-25,34H,13-14,16H2,(H,32,33)(H,35,36)/t24-,25-/m0/s1","","2007-10-27","2011-06-04","N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide",""],["YD9","(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C20 H16 F2 N6 O3","Fc1cc(cc(F)c1O)Nc1ncc2N(Cc3ccno3)C(=O)C(C)N(CC#C)c2n1;C[CH]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(Cc4oncc4)C1=O;CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)Cc4ccno4","InChI=1S/C20H16F2N6O3/c1-3-6-27-11(2)19(30)28(10-13-4-5-24-31-13)16-9-23-20(26-18(16)27)25-12-7-14(21)17(29)15(22)8-12/h1,4-5,7-9,11,29H,6,10H2,2H3,(H,23,25,26)/t11-/m0/s1","","2023-12-01","2024-08-30","(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2024-09-04"],["IZ3","3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide","C27 H22 F2 N4 O5 S2","Fc1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)C4=NC(=C=N4)Cc5ccccc5F;c1ccc(c(c1)CC2=C=NC(=N2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F","InChI=1S/C27H22F2N4O5S2/c28-20-5-3-6-22(14-20)39(35,36)32-24(27-30-16-21(31-27)13-19-4-1-2-7-23(19)29)12-17-8-10-18(11-9-17)25-15-26(34)33-40(25,37)38/h1-11,14,24-25,32H,12-13,15H2,(H,33,34)/t24-,25-/m0/s1","","2007-10-27","2011-06-04","3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide",""],["1AY","(1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine","C28 H29 Cl2 N5","Clc4cnc(c1nc(c(Cl)c(n1)NCC(c2ccccc2)NCCCCc3ccccc3)C)cc4;Cc1nc(nc(NC[CH](NCCCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4;Cc1c(c(nc(n1)c2ccc(cn2)Cl)NCC(c3ccccc3)NCCCCc4ccccc4)Cl","InChI=1S/C28H29Cl2N5/c1-20-26(30)28(35-27(34-20)24-16-15-23(29)18-32-24)33-19-25(22-13-6-3-7-14-22)31-17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-16,18,25,31H,8-9,12,17,19H2,1H3,(H,33,34,35)/t25-/m0/s1","","2012-11-16","2014-03-26","(1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine","2013-04-03"],["1AZ","1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione","C18 H19 Cl2 N5 O3","Clc1ccc(cc1Cl)CN4C(=O)c3c(nc(N2CCOCC2)n3C)N(C4=O)C;CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(nc13)N4CCOCC4;Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C","InChI=1S/C18H19Cl2N5O3/c1-22-14-15(21-17(22)24-5-7-28-8-6-24)23(2)18(27)25(16(14)26)10-11-3-4-12(19)13(20)9-11/h3-4,9H,5-8,10H2,1-2H3","","2009-04-27","2011-06-04","1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione",""],["IZ4","N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide","C28 H29 F N4 O5 S2","O=C5NS(=O)(=O)C(c1ccc(cc1)CC(C3=NC(CCc2ccccc2)CN3)NS(=O)(=O)c4cccc(F)c4)C5;Fc1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)C4=N[CH](CCc5ccccc5)CN4;c1ccc(cc1)CCC2CNC(=N2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F","InChI=1S/C28H29FN4O5S2/c29-22-7-4-8-24(16-22)39(35,36)32-25(28-30-18-23(31-28)14-11-19-5-2-1-3-6-19)15-20-9-12-21(13-10-20)26-17-27(34)33-40(26,37)38/h1-10,12-13,16,23,25-26,32H,11,14-15,17-18H2,(H,30,31)(H,33,34)/t23-,25+,26+/m1/s1","","2007-10-27","2011-06-04","N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide",""],["YDA","1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide","C28 H34 N10 O2","Cn1cc(Nc2nccc(n2)c3ccc4[CH](CCN(Cc4c3)C5COC5)NC(=O)c6cn(nn6)C(C)(C)C)cn1;CC(C)(C)n1cc(nn1)C(=O)NC2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6","InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1","","2021-02-22","2022-01-07","1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide","2022-01-12"],["IZ5","N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide","C29 H29 F N4 O5 S2","O=C5NS(=O)(=O)C(c1ccc(cc1)CC(c2nc(cn2)CCCc3ccccc3)NS(=O)(=O)c4cccc(F)c4)C5;Fc1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)c4[nH]cc(CCCc5ccccc5)n4;c1ccc(cc1)CCCc2c[nH]c(n2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F","InChI=1S/C29H29FN4O5S2/c30-23-9-5-11-25(17-23)40(36,37)33-26(29-31-19-24(32-29)10-4-8-20-6-2-1-3-7-20)16-21-12-14-22(15-13-21)27-18-28(35)34-41(27,38)39/h1-3,5-7,9,11-15,17,19,26-27,33H,4,8,10,16,18H2,(H,31,32)(H,34,35)/t26-,27-/m0/s1","","2007-10-27","2011-06-04","N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide",""],["YDB","1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid","C9 H12 B N7 O5 S2","O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O;Nc1sc(SCC(=O)N[CH](Cn2cc(nn2)C(O)=O)B(O)O)nn1;B(C(Cn1cc(nn1)C(=O)O)NC(=O)CSc2nnc(s2)N)(O)O","InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1","","2023-01-25","2024-09-27","1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid","2023-07-05"],["1B0","N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE","C27 H27 N3 O2","O=C(N(c1ccccc1)C)C(NC(=O)Cc3c2ccccc2nc3C)Cc4ccccc4;CN(C(=O)[CH](Cc1ccccc1)NC(=O)Cc2c(C)[nH]c3ccccc23)c4ccccc4;Cc1c(c2ccccc2[nH]1)CC(=O)NC(Cc3ccccc3)C(=O)N(C)c4ccccc4","InChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31)/t25-/m0/s1","","2010-04-30","2011-06-04","N-methyl-Nalpha-[(2-methyl-1H-indol-3-yl)acetyl]-N-phenyl-L-phenylalaninamide",""],["YDD","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate","C29 H51 N5 O14 P2","CCCCCCCCCCCCCCO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O;CCCCCCCCCCCCCCOC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O","InChI=1S/C29H51N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-43-29-25(38)23(36)20(47-29)16-45-50(41,42)48-49(39,40)44-15-19-22(35)24(37)28(46-19)34-18-33-21-26(30)31-17-32-27(21)34/h17-20,22-25,28-29,35-38H,2-16H2,1H3,(H,39,40)(H,41,42)(H2,30,31,32)/t19-,20-,22-,23-,24-,25-,28-,29+/m1/s1","","2019-11-08","2025-06-18","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate","2021-03-31"],["IZ6","1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-one","C19 H16 N4 O","O=C1CCN(N=C1c1ccnn1c1ccccc1)c1ccccc1;O=C1CCN(N=C1c2ccnn2c3ccccc3)c4ccccc4;c1ccc(cc1)n2c(ccn2)C3=NN(CCC3=O)c4ccccc4","InChI=1S/C19H16N4O/c24-18-12-14-22(15-7-3-1-4-8-15)21-19(18)17-11-13-20-23(17)16-9-5-2-6-10-16/h1-11,13H,12,14H2","","2022-02-01","2022-10-07","1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-one","2022-10-12"],["1B1","(2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine","C21 H20 N4","N1=C(C(=NC1(c3cccc(c2cc(C#CC)cnc2)c3)C4CC4)N)C;CC#Cc1cncc(c1)c2cccc(c2)[C]3(N=C(C)C(=N3)N)C4CC4;CC#Cc1cc(cnc1)c2cccc(c2)C3(N=C(C(=N3)N)C)C4CC4","InChI=1S/C21H20N4/c1-3-5-15-10-17(13-23-12-15)16-6-4-7-19(11-16)21(18-8-9-18)24-14(2)20(22)25-21/h4,6-7,10-13,18H,8-9H2,1-2H3,(H2,22,25)/t21-/m1/s1","","2012-07-10","2014-09-05","(2R)-2-cyclopropyl-5-methyl-2-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}-2H-imidazol-4-amine","2012-10-05"],["IZ7","(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid","C18 H23 N O4","O=C(O)CCC(C)=CCc1c(OC)c(C)c(C)c2onc(C)c12;COc1c(C)c(C)c2onc(C)c2c1CC=C(C)CCC(O)=O;Cc1c(c(c(c2c1onc2C)CC=C(C)CCC(=O)O)OC)C","InChI=1S/C18H23NO4/c1-10(7-9-15(20)21)6-8-14-16-13(4)19-23-18(16)12(3)11(2)17(14)22-5/h6H,7-9H2,1-5H3,(H,20,21)/b10-6+","","2023-05-05","2023-06-09","(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid","2023-06-14"],["YDE","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{4-[(propan-2-yl)oxy]-7-(trifluoromethyl)quinolin-2-yl}methanone","C29 H27 F3 N6 O3","CC(C)Oc1cc(nc2cc(ccc12)C(F)(F)F)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;CC(C)Oc1cc(nc2cc(ccc12)C(F)(F)F)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;CC(C)Oc1cc(nc2c1ccc(c2)C(F)(F)F)C(=O)N3CC4C5CN(CC5C4C3)C(=O)c6ccc7c(c6)nn[nH]7","InChI=1S/C29H27F3N6O3/c1-14(2)41-26-9-25(33-23-8-16(29(30,31)32)4-5-17(23)26)28(40)38-12-20-18-10-37(11-19(18)21(20)13-38)27(39)15-3-6-22-24(7-15)35-36-34-22/h3-9,14,18-21H,10-13H2,1-2H3,(H,34,35,36)","","2023-06-13","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{4-[(propan-2-yl)oxy]-7-(trifluoromethyl)quinolin-2-yl}methanone","2024-12-18"],["1B2","N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide","C17 H18 N4 O4 S","O=C(NS(=O)(=O)c3cccc(c1cc2cnnc2cc1)c3)C(N)C(O)C;C[CH](O)[CH](N)C(=O)N[S](=O)(=O)c1cccc(c1)c2ccc3n[nH]cc3c2;CC(C(C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O","InChI=1S/C17H18N4O4S/c1-10(22)16(18)17(23)21-26(24,25)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-19-20-15/h2-10,16,22H,18H2,1H3,(H,19,20)(H,21,23)/t10-,16+/m1/s1","","2012-11-19","2013-09-13","N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide","2013-09-18"],["YDF","4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione","C20 H21 F N2 O5","CN1C(=O)CN(CCF)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O;Cc1c(ccc2c1C(=O)N(CC(=O)N2C)CCF)C(=O)C3=C(CCCC3=O)O","InChI=1S/C20H21FN2O5/c1-11-12(19(27)18-14(24)4-3-5-15(18)25)6-7-13-17(11)20(28)23(9-8-21)10-16(26)22(13)2/h6-7,24H,3-5,8-10H2,1-2H3","","2023-11-30","2024-11-15","4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione","2024-11-20"],["IZ8","4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid","C34 H28 N6 O14 S4","Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)[S](O)(=O)=O)[S](O)(=O)=O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)[S](O)(=O)=O)[S](O)(=O)=O)c(C)c4;Cc1cc(ccc1N=Nc2ccc3c(cc(c(c3c2O)N)S(=O)(=O)O)S(=O)(=O)O)c4ccc(c(c4)C)N=Nc5ccc6c(cc(c(c6c5O)N)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+","","2022-08-04","2023-07-28","4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid","2023-08-02"],["1B3","N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide","C18 H18 Cl N5 O4 S","O=C(NS(=O)(=O)c3cccc(c2ccc1c(nc(Cl)nc1N)c2)c3)C(N)C(O)C;C[CH](O)[CH](N)C(=O)N[S](=O)(=O)c1cccc(c1)c2ccc3c(N)nc(Cl)nc3c2;CC(C(C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O","InChI=1S/C18H18ClN5O4S/c1-9(25)15(20)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,25H,20H2,1H3,(H,24,26)(H2,21,22,23)/t9-,15+/m1/s1","","2012-11-20","2013-09-13","N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide","2013-09-18"],["1B4","N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C19 H22 N4 O4","O=C(c2c1nc(cnc1nc2)c3cc(OC)c(OC)c(OC)c3)NC(C)C;COc1cc(cc(OC)c1OC)c2cnc3[nH]cc(C(=O)NC(C)C)c3n2;CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H22N4O4/c1-10(2)22-19(24)12-8-20-18-16(12)23-13(9-21-18)11-6-14(25-3)17(27-5)15(7-11)26-4/h6-10H,1-5H3,(H,20,21)(H,22,24)","","2012-11-20","2013-10-25","N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-10-30"],["IZ9","(E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C16 H14 N6","N#Cc2c1c(nc(nc1nc2C=Cc3ccc(cc3)C)N)N;Cc1ccc(cc1)C=Cc2[nH]c3nc(N)nc(N)c3c2C#N;Cc1ccc(cc1)C=Cc2c(c3c(nc(nc3[nH]2)N)N)C#N","InChI=1S/C16H14N6/c1-9-2-4-10(5-3-9)6-7-12-11(8-17)13-14(18)21-16(19)22-15(13)20-12/h2-7H,1H3,(H5,18,19,20,21,22)/b7-6+","","2014-01-15","2015-01-16","2,4-diamino-6-[(E)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2015-01-21"],["YDG","N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide","C7 H11 N3 O","O=C(Cn1cccn1)N(C)C;CN(C)C(=O)Cn1cccn1;CN(C)C(=O)Cn1cccn1","InChI=1S/C7H11N3O/c1-9(2)7(11)6-10-5-3-4-8-10/h3-5H,6H2,1-2H3","","2023-01-25","2023-02-10","N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide","2023-02-15"],["YDH","1-[2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-carboxamide","C25 H31 N5 O4","O=C(NCc1nonc1C)C1CCN(CC1)c1cccc2C(=O)N(CC3CCCCC3)C(=O)c21;Cc1nonc1CNC(=O)C2CCN(CC2)c3cccc4C(=O)N(CC5CCCCC5)C(=O)c34;Cc1c(non1)CNC(=O)C2CCN(CC2)c3cccc4c3C(=O)N(C4=O)CC5CCCCC5","InChI=1S/C25H31N5O4/c1-16-20(28-34-27-16)14-26-23(31)18-10-12-29(13-11-18)21-9-5-8-19-22(21)25(33)30(24(19)32)15-17-6-3-2-4-7-17/h5,8-9,17-18H,2-4,6-7,10-15H2,1H3,(H,26,31)","","2023-06-13","2024-12-13","1-[2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-carboxamide","2024-12-18"],["IZA","2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE","C18 H16 F N3 O","O=C4NC=Cc3c1c(nc(n1)C(C)(C)C)c2ccc(F)cc2c34;CC(C)(C)c1[nH]c2c3C=CNC(=O)c3c4cc(F)ccc4c2n1;CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3","InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)","2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE","2005-10-05","2021-03-13","2-tert-butyl-9-fluoro-3,6-dihydro-7H-benzo[h]imidazo[4,5-f]isoquinolin-7-one",""],["1B5","2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C18 H17 Cl N6 O","O=C(NC(C)C)c2cnc1ncc(nc12)c4nn(c3cc(Cl)ccc34)C;CC(C)NC(=O)c1c[nH]c2ncc(nc12)c3nn(C)c4cc(Cl)ccc34;CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl","InChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26)","","2012-11-20","2013-10-25","2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-10-30"],["IZB","N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE","C27 H27 N5 O6 S2","O=C6NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)NS(=O)(=O)c5ccc4N(C)CCOc4c5)C6;CN1CCOc2cc(ccc12)[S](=O)(=O)N[CH](Cc3ccc(cc3)[CH]4CC(=O)N[S]4(=O)=O)c5[nH]c6ccccc6n5;CN1CCOc2c1ccc(c2)S(=O)(=O)NC(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5","InChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1","","2006-05-21","2011-06-04","N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide",""],["1B6","N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C18 H22 N6 O","O=C(NC(C)(C)C)c2cnc1ncc(nc12)c3ncn4c3CCCC4;CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)c3ncn4CCCCc34;CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4","InChI=1S/C18H22N6O/c1-18(2,3)23-17(25)11-8-19-16-14(11)22-12(9-20-16)15-13-6-4-5-7-24(13)10-21-15/h8-10H,4-7H2,1-3H3,(H,19,20)(H,23,25)","","2012-11-20","2013-10-25","N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-10-30"],["YDI","5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE","C16 H20 N4 O3 S","O=C(Nc1sc(cc1C(=O)N)c2ccc(OCCN(C)C)cc2)N;CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O;CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N","InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)","","2011-03-21","2012-03-30","2-(carbamoylamino)-5-{4-[2-(dimethylamino)ethoxy]phenyl}thiophene-3-carboxamide",""],["IZC","2H-IMIDAZOL-4-YLACETIC ACID","C5 H6 N2 O2","O=C(O)CC1=NCN=C1;OC(=O)CC1=NCN=C1;C1N=CC(=N1)CC(=O)O","InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)","IMIDAZOLE-4-ACETIC ACID","2006-02-22","2021-03-01","2H-imidazol-4-ylacetic acid",""],["1B7","N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine","C21 H25 Cl N2 O2 S","O=C(O)C(NC1=NC(C)(C)Cc2cc(Cl)ccc12)Cc3c(csc3)CCC;CCCc1cscc1C[CH](NC2=NC(C)(C)Cc3cc(Cl)ccc23)C(O)=O;CCCc1cscc1CC(C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C","InChI=1S/C21H25ClN2O2S/c1-4-5-13-11-27-12-15(13)9-18(20(25)26)23-19-17-7-6-16(22)8-14(17)10-21(2,3)24-19/h6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1","","2012-11-21","2013-10-04","N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine","2013-10-09"],["YDJ","5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide","C17 H19 F N4 O2 S","O=C(c1sc(cc1NC(=O)N)c2cccc(F)c2)NC3CCCNC3;NC(=O)Nc1cc(sc1C(=O)N[CH]2CCCNC2)c3cccc(F)c3;c1cc(cc(c1)F)c2cc(c(s2)C(=O)NC3CCCNC3)NC(=O)N","InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1","","2011-03-22","2013-03-15","3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide",""],["IZD","ISOTHIAZOLIDINONE ANALOG","C23 H26 N4 O6 S","O=C3NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccccc2)C3;CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)C(N)=O;CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccc(cc2)C3CC(=O)NS3(=O)=O)C(=O)N","InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1","","2006-05-04","2011-06-04","N-acetyl-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide",""],["1B8","3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine","C21 H20 Br Cl N4 O2 S","Brc1scc(c1CC(NC3=NC(C)(C)Cc2cc(Cl)ccc23)C(=O)O)c4cnnc4;CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3c(Br)scc3c4c[nH]nc4)C(O)=O;CC1(Cc2cc(ccc2C(=N1)NC(Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C","InChI=1S/C21H20BrClN4O2S/c1-21(2)7-11-5-13(23)3-4-14(11)19(27-21)26-17(20(28)29)6-15-16(10-30-18(15)22)12-8-24-25-9-12/h3-5,8-10,17H,6-7H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1","","2012-11-21","2013-03-01","3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine","2013-03-06"],["YDK","2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE","C17 H20 N4 O2 S","O=C(Nc2sc(cc2C(=O)NC1CCCNC1)c3ccccc3)N;NC(=O)Nc1sc(cc1C(=O)N[CH]2CCCNC2)c3ccccc3;c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)NC3CCCNC3","InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1","","2011-03-22","2012-03-30","2-(carbamoylamino)-5-phenyl-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide",""],["IZE","N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE","C21 H16 F6 N4 O4 S","O=C4NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3cc(ccc3n2)C(F)(F)F)NC(=O)C(F)(F)F)C4;FC(F)(F)C(=O)N[CH](Cc1ccc(cc1)[CH]2CC(=O)N[S]2(=O)=O)c3[nH]c4ccc(cc4n3)C(F)(F)F;c1cc(ccc1CC(c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)C4CC(=O)NS4(=O)=O","InChI=1S/C21H16F6N4O4S/c22-20(23,24)12-5-6-13-14(8-12)29-18(28-13)15(30-19(33)21(25,26)27)7-10-1-3-11(4-2-10)16-9-17(32)31-36(16,34)35/h1-6,8,15-16H,7,9H2,(H,28,29)(H,30,33)(H,31,32)/t15-,16-/m0/s1","","2006-05-21","2011-06-04","N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide",""],["YDL","N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide","C21 H32 F3 N5 O5","FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C;COC(=O)N[CH](C(=O)N1C[CH](C[CH]1C(=O)N[CH](C[CH]2CCNC2=O)C=N)C(F)(F)F)C(C)(C)C;CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC(CC2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC","InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1","Ibuzatrelvir, bound form; N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-4-(trifluoromethyl)-L-prolinamide, bound form","2023-12-01","2024-09-27","N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide","2024-05-15"],["A1A0A","(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine","C18 H19 F4 N3","Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1;Cc1cc(N)nc(c1)c2cc(CN3CCC(F)(F)CC3)cc(F)c2F;Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CCC(CC3)(F)F","InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)","","2024-07-30","2025-04-25","(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine","2025-04-30"],["IZF","METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE","C31 H34 Cl N3 O10 S2","O=C4NS(=O)(=O)C(c1ccc(cc1Cl)CC(C(=O)NCCCCCOc2cccc(O)c2C(=O)OC)NS(=O)(=O)c3ccccc3)C4;COC(=O)c1c(O)cccc1OCCCCCNC(=O)[CH](Cc2ccc([CH]3CC(=O)N[S]3(=O)=O)c(Cl)c2)N[S](=O)(=O)c4ccccc4;COC(=O)c1c(cccc1OCCCCCNC(=O)C(Cc2ccc(c(c2)Cl)C3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O","InChI=1S/C31H34ClN3O10S2/c1-44-31(39)29-25(36)11-8-12-26(29)45-16-7-3-6-15-33-30(38)24(34-46(40,41)21-9-4-2-5-10-21)18-20-13-14-22(23(32)17-20)27-19-28(37)35-47(27,42)43/h2,4-5,8-14,17,24,27,34,36H,3,6-7,15-16,18-19H2,1H3,(H,33,38)(H,35,37)/t24-,27-/m0/s1","","2006-05-21","2011-06-04","methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate",""],["A1A0B","(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine","C14 H15 F2 N3","Cc1cc(nc(N)c1)c1cc(CNC)cc(F)c1F;CNCc1cc(F)c(F)c(c1)c2cc(C)cc(N)n2;Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNC","InChI=1S/C14H15F2N3/c1-8-3-12(19-13(17)4-8)10-5-9(7-18-2)6-11(15)14(10)16/h3-6,18H,7H2,1-2H3,(H2,17,19)","","2024-07-30","2025-04-25","(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine","2025-04-30"],["YDM","1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one","C15 H17 N O","CCC(=O)c1ccc2cc(ccc2c1)N(C)C;CCC(=O)c1ccc2cc(ccc2c1)N(C)C;CCC(=O)c1ccc2cc(ccc2c1)N(C)C","InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3","acrylodan, bound form","2023-01-26","2024-09-27","1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one","2023-08-30"],["IZG","3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione","C17 H15 F2 I N4 O4","Ic1ccc(c(F)c1)NC2=C(F)C(=O)N(C=3N=CN(C(=O)C2=3)CC(O)CO)C;CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[CH](O)CO)C3=O)F;CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)CC(CO)O","InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1","","2010-11-24","2011-06-04","3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione",""],["A1A0E","(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine","C13 H16 N4","Cc1cc(nc(N)c1)c1cc(CNC)cnc1;CNCc1cncc(c1)c2cc(C)cc(N)n2;Cc1cc(nc(c1)N)c2cc(cnc2)CNC","InChI=1S/C13H16N4/c1-9-3-12(17-13(14)4-9)11-5-10(6-15-2)7-16-8-11/h3-5,7-8,15H,6H2,1-2H3,(H2,14,17)","","2024-07-30","2025-04-25","(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine","2025-04-30"],["YDN","1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one","C23 H22 F3 N5 O3","FC(F)(F)Oc1ccc(cc1)CCC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(CCC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1;c1cc(ccc1CCC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F","InChI=1S/C23H22F3N5O3/c24-23(25,26)34-18-5-1-14(2-6-18)3-8-21(32)30-10-16-12-31(13-17(16)11-30)22(33)15-4-7-19-20(9-15)28-29-27-19/h1-2,4-7,9,16-17H,3,8,10-13H2,(H,27,28,29)","","2023-06-13","2024-12-13","1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one","2024-12-18"],["YDO","5'-deoxy-5'-(ethylsulfamamido)adenosine","C12 H19 N7 O5 S","CCNS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CCN[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCNS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H19N7O5S/c1-2-17-25(22,23)18-3-6-8(20)9(21)12(24-6)19-5-16-7-10(13)14-4-15-11(7)19/h4-6,8-9,12,17-18,20-21H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2023-12-01","2023-12-08","5'-deoxy-5'-(ethylsulfamamido)adenosine","2023-12-13"],["IZH","(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine","C17 H21 F3 N8","FC(F)(F)C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)n1;Cn1nc(nc1CCc2nn3c(C)ncc(C)c3n2)N4CCC[CH]4C(F)(F)F;Cc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4C(F)(F)F)C","InChI=1S/C17H21F3N8/c1-10-9-21-11(2)28-15(10)22-13(24-28)6-7-14-23-16(25-26(14)3)27-8-4-5-12(27)17(18,19)20/h9,12H,4-8H2,1-3H3","","2022-02-01","2022-10-07","(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine","2022-10-12"],["A1A0F","(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine","C15 H16 F3 N3","Cc1cc(nc(N)c1)c1cc(CNC)cc(c1)C(F)(F)F;CNCc1cc(cc(c1)C(F)(F)F)c2cc(C)cc(N)n2;Cc1cc(nc(c1)N)c2cc(cc(c2)C(F)(F)F)CNC","InChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21)","","2024-07-30","2025-04-25","(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine","2025-04-30"],["YDP","(3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine","C28 H37 N5 O6 S2","O=S(=O)(N(C2C(N(CC=C(/C)C)S(=O)(=O)c1ccc(C(=O)N)cc1)CNC2)CC=C(/C)C)c3ccc(C(=O)N)cc3;CC(C)=CCN([CH]1CNC[CH]1N(CC=C(C)C)[S](=O)(=O)c2ccc(cc2)C(N)=O)[S](=O)(=O)c3ccc(cc3)C(N)=O;CC(=CCN(C1CNCC1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C","InChI=1S/C28H37N5O6S2/c1-19(2)13-15-32(40(36,37)23-9-5-21(6-10-23)27(29)34)25-17-31-18-26(25)33(16-14-20(3)4)41(38,39)24-11-7-22(8-12-24)28(30)35/h5-14,25-26,31H,15-18H2,1-4H3,(H2,29,34)(H2,30,35)/t25-,26-/m0/s1","","2008-01-22","2011-06-04","4,4'-{(3S,4S)-pyrrolidine-3,4-diylbis[(3-methylbut-2-en-1-yl)sulfamoyl]}dibenzamide",""],["IZJ","methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate","C15 H14 Cl N5 O2","O=C(OC)c1cccc(c1)Cn1cnc2c(nc(Cl)nc21)NC;CNc1nc(Cl)nc2n(Cc3cccc(c3)C(=O)OC)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)OC","InChI=1S/C15H14ClN5O2/c1-17-12-11-13(20-15(16)19-12)21(8-18-11)7-9-4-3-5-10(6-9)14(22)23-2/h3-6,8H,7H2,1-2H3,(H,17,19,20)","","2023-08-04","2024-09-16","methyl 3-{[2-chloro-6-(methylamino)-9H-purin-9-yl]methyl}benzoate","2023-12-06"],["YDQ","2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one","C14 H14 Br N O","BrCC(=O)c1ccc2cc(ccc2c1)N(C)C;CN(C)c1ccc2cc(ccc2c1)C(=O)CBr;CN(C)c1ccc2cc(ccc2c1)C(=O)CBr","InChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3","BADAN","2023-01-26","2024-09-27","2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one","2023-08-30"],["IZK","4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","C20 H19 Cl N6 O","Clc1cnn(CC(C)C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;CC(C)Cn1ncc(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;CC(C)Cn1c(c(cn1)Cl)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4","InChI=1S/C20H19ClN6O/c1-13(2)11-27-18(15(21)10-22-27)19(28)24-17-8-9-26-12-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,24,25,28)","","2022-02-01","2022-10-07","4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["IZL","[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate","C74 H133 O39 P","CCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O","InChI=1S/C74H133O39P/c1-5-8-10-12-14-16-21-26-30-47(78)100-36-43-51(82)56(87)64(95)72(108-43)110-66-60(91)58(89)61(92)67(69(66)113-114(97,98)103-35-40(104-48(79)31-27-23-17-15-13-11-9-6-2)34-99-46(77)29-25-22-19-18-20-24-28-39(4)7-3)111-73-65(96)57(88)53(84)45(109-73)37-101-70-62(93)55(86)52(83)44(107-70)38-102-74-68(59(90)50(81)42(33-76)106-74)112-71-63(94)54(85)49(80)41(32-75)105-71/h39-45,49-76,80-96H,5-38H2,1-4H3,(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72-,73-,74+/m1/s1","","2022-04-22","2022-08-22","[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate","2022-05-18"],["A1A0U","(1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol","C24 H32 N2 O3","COc1ccc2cc(ccc2c1)C(=NOC)C1CCCN(C1)C1CCC(O)CC1;CON=C([CH]1CCCN(C1)[CH]2CC[CH](O)CC2)c3ccc4cc(OC)ccc4c3;COc1ccc2cc(ccc2c1)C(=NOC)C3CCCN(C3)C4CCC(CC4)O","InChI=1S/C24H32N2O3/c1-28-23-12-7-17-14-19(6-5-18(17)15-23)24(25-29-2)20-4-3-13-26(16-20)21-8-10-22(27)11-9-21/h5-7,12,14-15,20-22,27H,3-4,8-11,13,16H2,1-2H3/b25-24-/t20-,21-,22+/m1/s1","","2024-08-02","2025-04-04","(1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol","2025-04-09"],["YDR","6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose","C12 H22 O10 S","S(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](SC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SCC2C(C(C(C(O2)O)O)O)O)O)O)O)O","InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1","","2011-02-24","2020-07-17","6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose",""],["IZM","5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine","C15 H15 N3 O2 S","COc1ccc2nc(oc2c1)C=Cc3sc(nc3)N(C)C;CN(C)c1ncc(s1)C=Cc2nc3ccc(cc3o2)OC","InChI=1S/C15H15N3O2S/c1-18(2)15-16-9-11(21-15)5-7-14-17-12-6-4-10(19-3)8-13(12)20-14/h4-9H,1-3H3/b7-5+","","2022-08-04","2023-07-28","5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine","2023-08-02"],["YDS","N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide","C16 H19 N5 O3","CC(C)(C)C(=O)Nc1cc(C#N)ccc1OCC1=NNC(=O)N1C;CN1C(=O)NN=C1COc2ccc(cc2NC(=O)C(C)(C)C)C#N;CC(C)(C)C(=O)Nc1cc(ccc1OCC2=NNC(=O)N2C)C#N","InChI=1S/C16H19N5O3/c1-16(2,3)14(22)18-11-7-10(8-17)5-6-12(11)24-9-13-19-20-15(23)21(13)4/h5-7H,9H2,1-4H3,(H,18,22)(H,20,23)","","2023-06-13","2024-12-13","N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide","2024-12-18"],["A1A0V","{(3R)-1-[(1s,4S)-4-hydroxycyclohexyl]piperidin-3-yl}(6-methoxynaphthalen-2-yl)methanone","C23 H29 N O3","COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C1CCC(O)CC1;COc1ccc2cc(ccc2c1)C(=O)[CH]3CCCN(C3)[CH]4CC[CH](O)CC4;COc1ccc2cc(ccc2c1)C(=O)C3CCCN(C3)C4CCC(CC4)O","InChI=1S/C23H29NO3/c1-27-22-11-6-16-13-18(5-4-17(16)14-22)23(26)19-3-2-12-24(15-19)20-7-9-21(25)10-8-20/h4-6,11,13-14,19-21,25H,2-3,7-10,12,15H2,1H3/t19-,20-,21+/m1/s1","","2024-08-02","2025-04-04","{(3R)-1-[(1s,4S)-4-hydroxycyclohexyl]piperidin-3-yl}(6-methoxynaphthalen-2-yl)methanone","2025-04-09"],["YDT","N-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide","C22 H22 F N5 O4 S","Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3occc23)[S](=O)(=O)N4CCc5[nH]ncc5C4;Cc1c(cc(n1C)C(=O)NCc2c3ccoc3ccc2F)S(=O)(=O)N4CCc5c(cn[nH]5)C4","InChI=1S/C22H22FN5O4S/c1-13-21(33(30,31)28-7-5-18-14(12-28)10-25-26-18)9-19(27(13)2)22(29)24-11-16-15-6-8-32-20(15)4-3-17(16)23/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,24,29)(H,25,26)","","2023-12-03","2024-10-18","~{N}-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide","2024-10-23"],["IZN","(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one","C16 H21 N O3","O=C1OCC3=C(C1)C42C(=CCC(OC)C2)CCN4CC3;CO[CH]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C]23C1;COC1CC=C2CCN3C2(C1)C4=C(CC3)COC(=O)C4","InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1","(2S,13bS)-2-Methoxy-2,3,5,6,8,9,10,13-octahydro-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one","2012-03-06","2020-06-17","(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one","2012-08-24"],["YDU","2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide","C10 H15 N3 O2","O=C(Nc1nc(C)no1)CC1CCCC1;Cc1noc(NC(=O)CC2CCCC2)n1;Cc1nc(on1)NC(=O)CC2CCCC2","InChI=1S/C10H15N3O2/c1-7-11-10(15-13-7)12-9(14)6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,12,13,14)","","2023-01-26","2023-02-10","2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide","2023-02-15"],["A1A1A","4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","C22 H26 N6 O2","CC(C)n1cnnc1c1cccc(n1)N1Cc2c(cc(cc2C(N)CC)OC)C1=O;CC[CH](N)c1cc(OC)cc2C(=O)N(Cc12)c3cccc(n3)c4nncn4C(C)C;CCC(c1cc(cc2c1CN(C2=O)c3cccc(n3)c4nncn4C(C)C)OC)N","InChI=1S/C22H26N6O2/c1-5-18(23)15-9-14(30-4)10-16-17(15)11-27(22(16)29)20-8-6-7-19(25-20)21-26-24-12-28(21)13(2)3/h6-10,12-13,18H,5,11,23H2,1-4H3/t18-/m1/s1","","2024-08-07","2024-12-13","4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","2024-12-18"],["IZO","(2S)-2-AMINOHEX-5-YNOIC ACID","C6 H9 N O2","O=C(O)C(N)CCC#C;N[CH](CCC#C)C(O)=O;C#CCCC(C(=O)O)N","InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1","","2010-08-09","2024-09-27","(2S)-2-aminohex-5-ynoic acid",""],["YDV","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone","C24 H23 F3 N6 O3","FC(F)(F)COc1ncc(cc1C1CC1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)COc1ncc(cc1C2CC2)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc6[nH]nnc6c5;c1cc2c(cc1C(=O)N3CC4CN(CC4C3)C(=O)c5cc(c(nc5)OCC(F)(F)F)C6CC6)nn[nH]2","InChI=1S/C24H23F3N6O3/c25-24(26,27)12-36-21-18(13-1-2-13)5-15(7-28-21)23(35)33-10-16-8-32(9-17(16)11-33)22(34)14-3-4-19-20(6-14)30-31-29-19/h3-7,13,16-17H,1-2,8-12H2,(H,29,30,31)","","2023-06-13","2024-12-13","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone","2024-12-18"],["A1A1B","4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one","C26 H32 N8 O","CC1CCc2nnc(n21)c1cccc(n1)N1Cc2c(cc(nc2C(N)CC)N2CCCC2C)C1=O;CC[CH](N)c1nc(cc2C(=O)N(Cc12)c3cccc(n3)c4nnc5CC[CH](C)n45)N6CCC[CH]6C;CCC(c1c2c(cc(n1)N3CCCC3C)C(=O)N(C2)c4cccc(n4)c5nnc6n5C(CC6)C)N","InChI=1S/C26H32N8O/c1-4-19(27)24-18-14-33(26(35)17(18)13-23(29-24)32-12-6-7-15(32)2)21-9-5-8-20(28-21)25-31-30-22-11-10-16(3)34(22)25/h5,8-9,13,15-16,19H,4,6-7,10-12,14,27H2,1-3H3/t15-,16+,19-/m1/s1","","2024-08-07","2024-12-13","4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one","2024-12-18"],["IZP","(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid","C13 H18 O2","O=C(O)C(c1ccc(cc1)CC(C)C)C;CC(C)Cc1ccc(cc1)[CH](C)C(O)=O;CC(C)Cc1ccc(cc1)C(C)C(=O)O","InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1","(R)-Ibuprofen","2010-11-15","2021-03-01","(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid",""],["IZQ","(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one","C17 H13 Cl N4 O2","Clc1ccccc1c1nc(C)c2C(=O)Nc3ccc(OC)nc3n21;COc1ccc2NC(=O)c3n(c2n1)c(nc3C)c4ccccc4Cl;Cc1c2n(c(n1)c3ccccc3Cl)-c4c(ccc(n4)OC)NC2=O","InChI=1S/C17H13ClN4O2/c1-9-14-17(23)20-12-7-8-13(24-2)21-16(12)22(14)15(19-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H,20,23)","","2022-02-01","2022-10-07","(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one","2022-10-12"],["YDW","~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide","C22 H17 F3 N4 O2","CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F)c1;CNC(=O)c1cccc(c1)CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F","InChI=1S/C22H17F3N4O2/c1-26-20(30)16-4-2-3-13(9-16)12-29-8-7-15-10-14(5-6-17(15)21(29)31)18-11-27-28-19(18)22(23,24)25/h2-11H,12H2,1H3,(H,26,30)(H,27,28)","GNS-2591","2023-11-30","2024-11-29","~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide","2024-12-04"],["A1A1E","4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","C19 H20 N6 O","CC(C)n1cnnc1c1cccc(n1)N1Cc2c(cccc2CN)C1=O;CC(C)n1cnnc1c2cccc(n2)N3Cc4c(CN)cccc4C3=O;CC(C)n1cnnc1c2cccc(n2)N3Cc4c(cccc4C3=O)CN","InChI=1S/C19H20N6O/c1-12(2)25-11-21-23-18(25)16-7-4-8-17(22-16)24-10-15-13(9-20)5-3-6-14(15)19(24)26/h3-8,11-12H,9-10,20H2,1-2H3","","2024-08-07","2024-12-13","4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","2024-12-18"],["IZR","(2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H59 Cl F N9 O5 S3","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCCCSC(C)(C)[CH](NC(=O)C4(F)CC4)C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)N=C(c8ccc(Cl)cc8)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCSC(C)(C)C(C(=O)N4CC(CC4C(=O)NCc5ccc(cc5)c6c(ncs6)C)O)NC(=O)C7(CC7)F)c8ccc(cc8)Cl)C","InChI=1S/C50H59ClFN9O5S3/c1-28-30(3)69-47-40(28)41(33-15-17-35(51)18-16-33)56-37(44-59-58-31(4)61(44)47)24-39(63)53-21-9-7-8-10-22-68-49(5,6)43(57-48(66)50(52)19-20-50)46(65)60-26-36(62)23-38(60)45(64)54-25-32-11-13-34(14-12-32)42-29(2)55-27-67-42/h11-18,27,36-38,43,62H,7-10,19-26H2,1-6H3,(H,53,63)(H,54,64)(H,57,66)/t36-,37+,38+,43-/m1/s1","","2022-04-22","2022-09-09","(2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2022-09-14"],["A1A1F","(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1S,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-2,13-dioxabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)","C25 H42 N2 O7","CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(OCCC=CC1C)C(O)C(O)C2O;CC(C)C[CH]1CCO[CH]2[CH](CN[CH]2C(=O)N[CH]3[CH](C)C=CCCO[CH]4O[CH]3[CH](O)[CH](O)[CH]4O)C1;CC1C=CCCOC2C(C(C(C(C1NC(=O)C3C4C(CC(CCO4)CC(C)C)CN3)O2)O)O)O","InChI=1S/C25H42N2O7/c1-13(2)10-15-7-9-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-8-33-25-21(30)19(28)20(29)23(17)34-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25+/m1/s1","","2024-08-08","2025-08-22","(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1S,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-2,13-dioxabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)","2025-08-27"],["YDX","N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide","C9 H11 N5 O","O=C(Nc1ccn(C)n1)Cn1cccn1;Cn1ccc(NC(=O)Cn2cccn2)n1;Cn1ccc(n1)NC(=O)Cn2cccn2","InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15)","","2023-01-26","2023-02-10","N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide","2023-02-15"],["YDY","(2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide","C26 H26 F8 N2 O6 S2","c1(C(C(F)(F)F)(F)C(F)(F)F)nc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(C)(CS(C)(=O)=O)O)S(c4ccc(F)cc4)(=O)=O;C[C](O)(C[S](C)(=O)=O)C(=O)N[CH]1CC[C]2([CH]1CCc3nc(ccc23)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4;CC(CS(=O)(=O)C)(C(=O)NC1CCC2(C1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O","InChI=1S/C26H26F8N2O6S2/c1-22(38,13-43(2,39)40)21(37)36-19-11-12-23(44(41,42)15-5-3-14(27)4-6-15)16(19)7-9-18-17(23)8-10-20(35-18)24(28,25(29,30)31)26(32,33)34/h3-6,8,10,16,19,38H,7,9,11-13H2,1-2H3,(H,36,37)/t16-,19+,22+,23-/m0/s1","","2021-02-23","2021-05-07","(2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide","2021-05-12"],["IZS","ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate","C13 H21 N3 O2","CCOC(=O)CN(C)c1nc(CC)cc(CC)n1;CCc1cc(nc(n1)N(C)CC(=O)OCC)CC","InChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3","","2023-08-04","2024-09-27","ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate","2023-10-25"],["YDZ","[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate","C22 H32 N10 O16 P3 S","CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)O[CH]1n5c[n+](C)c6c(O)nc(N)nc56;C[n+]1cn(c2c1c(nc(n2)N)O)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)S)O)OC","InChI=1S/C22H31N10O16P3S/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)21-15(42-2)13(34)9(46-21)4-44-50(39,40)48-51(41,52)47-49(37,38)43-3-8-12(33)14(35)20(45-8)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H7-,23,24,25,26,28,29,36,37,38,39,40,41,52)/p+1/t8-,9-,12-,13-,14-,15-,20-,21-,51+/m1/s1","","2016-11-11","2017-12-15","[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate","2017-12-20"],["IZT","N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide","C22 H22 N4 O4 S","CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)N(C)C(=O)N2C)c1cccc2ccccc21;CN1C(=O)N(C)c2cc(NC(=O)CN(c3cccc4ccccc34)[S](C)(=O)=O)ccc12;CN1c2ccc(cc2N(C1=O)C)NC(=O)CN(c3cccc4c3cccc4)S(=O)(=O)C","InChI=1S/C22H22N4O4S/c1-24-19-12-11-16(13-20(19)25(2)22(24)28)23-21(27)14-26(31(3,29)30)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3,(H,23,27)","","2022-02-01","2022-10-07","N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide","2022-10-12"],["IZU","[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl-[(3~{S},6~{E},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphinic acid","C32 H57 O8 P","C[CH](CCO[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(CC1C(C(C(C(O1)CO)O)O)O)O","InChI=1S/C32H57O8P/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-16-26(5)17-10-18-27(6)19-20-39-41(37,38)22-29-31(35)32(36)30(34)28(21-33)40-29/h11,13,15,17,27-36H,7-10,12,14,16,18-22H2,1-6H3,(H,37,38)/b24-13+,25-15-,26-17+/t27-,28+,29-,30+,31+,32-/m0/s1","","2022-04-22","2023-01-06","[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl-[(3~{S},6~{E},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphinic acid","2023-01-11"],["YE0","4-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-3-fluorobenzene-1-sulfonamide","C28 H33 F N4 O6 S","NS(=O)(=O)c1ccc(c(F)c1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;N[S](=O)(=O)c1ccc(c(F)c1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6;c1cc(c(cc1S(=O)(=O)N)F)C(=O)N2CC3CN(CC3C2)C(=O)c4cc(nc(c4)OCC5CCOCC5)C6CC6","InChI=1S/C28H33FN4O6S/c29-24-11-22(40(30,36)37)3-4-23(24)28(35)33-14-20-12-32(13-21(20)15-33)27(34)19-9-25(18-1-2-18)31-26(10-19)39-16-17-5-7-38-8-6-17/h3-4,9-11,17-18,20-21H,1-2,5-8,12-16H2,(H2,30,36,37)","","2023-06-13","2024-12-13","4-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-3-fluorobenzene-1-sulfonamide","2024-12-18"],["A1A1U","(4R)-1-[(2S)-2-{4-[(1S,4S)-4-({4-[(12'S)-4'-chloro-5'-oxo-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-10'-yl]piperidin-1-yl}methyl)cyclohexyl]-1H-1,2,3-triazol-1-yl}-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-(morpholin-4-yl)ethyl]-L-prolinamide","C61 H75 Cl N10 O5 S","Clc1cccc2c1C(=O)N=C1N2c2cc(ccc2C21CCCCC2)C1CCN(CC1)CC1CCC(CC1)c1cn(nn1)C(C(=O)N1CC(O)CC1C(=O)NC(CN1CCOCC1)c1ccc(cc1)c1scnc1C)C(C)(C)C;Cc1ncsc1c2ccc(cc2)[CH](CN3CCOCC3)NC(=O)[CH]4C[CH](O)CN4C(=O)[CH](n5cc(nn5)[CH]6CC[CH](CC6)CN7CC[CH](CC7)c8ccc9c(c8)N%10c%11cccc(Cl)c%11C(=O)N=C%10C9%12CCCCC%12)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)C(CN3CCOCC3)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)n5cc(nn5)C6CCC(CC6)CN7CCC(CC7)c8ccc9c(c8)N1c2cccc(c2C(=O)N=C1C91CCCCC1)Cl)O","InChI=1S/C61H75ClN10O5S/c1-38-54(78-37-63-38)43-17-15-41(16-18-43)48(35-69-27-29-77-30-28-69)64-56(74)52-32-45(73)34-70(52)58(76)55(60(2,3)4)71-36-49(66-67-71)42-13-11-39(12-14-42)33-68-25-21-40(22-26-68)44-19-20-46-51(31-44)72-50-10-8-9-47(62)53(50)57(75)65-59(72)61(46)23-6-5-7-24-61/h8-10,15-20,31,36-37,39-40,42,45,48,52,55,73H,5-7,11-14,21-30,32-35H2,1-4H3,(H,64,74)/t39-,42-,45-,48+,52+,55-/m1/s1","","2024-08-13","2025-08-15","(4R)-1-[(2S)-2-{4-[(1S,4S)-4-({4-[(12'S)-4'-chloro-5'-oxo-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-10'-yl]piperidin-1-yl}methyl)cyclohexyl]-1H-1,2,3-triazol-1-yl}-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-(morpholin-4-yl)ethyl]-L-prolinamide","2025-08-20"],["IZV","2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol","C14 H12 N2 O S","CNc1ccc(cc1)c2sc3cc(O)ccc3n2;CNc1ccc(cc1)c2nc3ccc(cc3s2)O","InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3","","2022-08-04","2023-07-28","2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol","2023-08-02"],["YE1","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE","C29 H43 N8 O19 P3","O=C(NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)Cc4cc(O)cc(O)c4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCNC(=O)Cc4cc(O)cc(O)c4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O","InChI=1S/C29H43N8O19P3/c1-29(2,24(43)27(44)33-4-3-19(40)31-5-6-32-20(41)9-15-7-16(38)10-17(39)8-15)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(42)28(54-18)37-14-36-21-25(30)34-13-35-26(21)37/h7-8,10,13-14,18,22-24,28,38-39,42-43H,3-6,9,11-12H2,1-2H3,(H,31,40)(H,32,41)(H,33,44)(H,48,49)(H,50,51)(H2,30,34,35)(H2,45,46,47)/t18-,22-,23-,24+,28-/m1/s1","","2006-11-07","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["YE2","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","C29 H42 N7 O19 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(O)=Cc4cc(O)cc(O)c4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=Cc4cc(cc(c4)O)O)O)O","InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-10,13-14,18,22-24,28,37-38,40-42H,3-6,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b20-9+/t18-,22-,23-,24+,28-/m1/s1","","2016-06-02","2017-06-16","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","2017-06-21"],["IZW","8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline","C21 H18 N2 O2","Cc1oc(nc1CCOc1cccc2cccnc21)c1ccccc1;Cc1oc(nc1CCOc2cccc3cccnc23)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCOc3cccc4c3nccc4","InChI=1S/C21H18N2O2/c1-15-18(23-21(25-15)17-7-3-2-4-8-17)12-14-24-19-11-5-9-16-10-6-13-22-20(16)19/h2-11,13H,12,14H2,1H3","","2022-02-01","2022-10-07","8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline","2022-10-12"],["IZX","1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine","C24 H20 N4 O2 S","NC(N)c1sc2cccc(O[CH](c3onc(n3)c4ccccc4)c5ccccc5)c2c1;c1ccc(cc1)c2nc(on2)C(c3ccccc3)Oc4cccc5c4cc(s5)C(N)N","InChI=1S/C24H20N4O2S/c25-22(26)20-14-17-18(12-7-13-19(17)31-20)29-21(15-8-3-1-4-9-15)24-27-23(28-30-24)16-10-5-2-6-11-16/h1-14,21-22H,25-26H2/t21-/m1/s1","","2010-01-22","2011-06-04","[4-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl]methanediamine",""],["YE3","(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C18 H15 F N2 O5 S","FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O;OC(=O)C1=CNc2c(cccc2c3ccccc3NCC[S](F)(=O)=O)C1=O;c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)NCCS(=O)(=O)F","InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24)","","2023-12-01","2024-09-27","(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2024-09-25"],["IZY","Dolichol monophosphate beta-D-Mannose","C31 H55 O9 P","C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26-,27+,28+,29-,30-,31-/m0/s1","[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate","2022-04-22","2025-07-18","[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate","2023-01-11"],["A1A2A","1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide","C24 H25 Cl N2 O3","O=C1COC(CN1C1Cc2ccccc2C1)CNC(=O)C1(CC1)c1ccc(Cl)cc1;Clc1ccc(cc1)C2(CC2)C(=O)NC[CH]3CN(C4Cc5ccccc5C4)C(=O)CO3;c1ccc2c(c1)CC(C2)N3CC(OCC3=O)CNC(=O)C4(CC4)c5ccc(cc5)Cl","InChI=1S/C24H25ClN2O3/c25-19-7-5-18(6-8-19)24(9-10-24)23(29)26-13-21-14-27(22(28)15-30-21)20-11-16-3-1-2-4-17(16)12-20/h1-8,20-21H,9-15H2,(H,26,29)/t21-/m1/s1","","2024-08-15","2024-09-06","1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide","2024-09-11"],["YE4","N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide","C23 H24 Cl N3 O3","c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl;CN1C=C(C(=O)NCc2ccc(Cl)cc2)C(=O)c3cc(CN4CCOCC4)ccc13;CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl","InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)","","2021-02-23","2021-04-02","N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide","2021-04-07"],["IZZ","(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol","C17 H21 N5 O","n1cc(n2nc(ccc12)NC(C(C)C)CO)c3cccc(N)c3;CC(C)[CH](CO)Nc1ccc2ncc(n2n1)c3cccc(N)c3;CC(C)C(CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N","InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-6-7-17-19-9-15(22(17)21-16)12-4-3-5-13(18)8-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1","","2008-11-04","2011-06-04","(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol",""],["A1A2B","4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline","C38 H61 F N6 O5 S2","CC1CN(CC(C)N1c1cc(F)cc(OC)c1)S(=O)(=O)N1CCCN(CC2CCCCC2)CCCN(CC(C)C1)S(=O)(=O)c1ccc(cc1)N(C)C;COc1cc(F)cc(c1)N2[CH](C)CN(C[CH]2C)[S](=O)(=O)N3CCCN(CCCN(C[CH](C)C3)[S](=O)(=O)c4ccc(cc4)N(C)C)CC5CCCCC5;CC1CN(CCCN(CCCN(C1)S(=O)(=O)N2CC(N(C(C2)C)c3cc(cc(c3)F)OC)C)CC4CCCCC4)S(=O)(=O)c5ccc(cc5)N(C)C","InChI=1S/C38H61FN6O5S2/c1-30-25-42(51(46,47)38-16-14-35(15-17-38)40(4)5)20-10-18-41(29-33-12-8-7-9-13-33)19-11-21-43(26-30)52(48,49)44-27-31(2)45(32(3)28-44)36-22-34(39)23-37(24-36)50-6/h14-17,22-24,30-33H,7-13,18-21,25-29H2,1-6H3/t30-,31+,32+/m0/s1","","2024-08-16","2025-07-11","4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline","2025-07-16"],["YE5","1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone","C17 H16 N4 O2","CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(C)=O;CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C","InChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21)","","2016-12-16","2018-01-12","1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone","2018-01-17"],["J00","2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid","C10 H9 B O4","OB1O[CH](C(=C)C(O)=O)c2ccccc12;B1(c2ccccc2C(O1)C(=C)C(=O)O)O","InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1","(S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid","2021-03-08","2024-09-27","2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid","2021-08-04"],["YE6","5-(2-chlorophenyl)furan-2-carbohydrazide","C11 H9 Cl N2 O2","O=C(c2oc(c1c(Cl)cccc1)cc2)NN;NNC(=O)c1oc(cc1)c2ccccc2Cl;c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl","InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)","","2007-03-29","2011-06-04","5-(2-chlorophenyl)furan-2-carbohydrazide",""],["A1A2E","4-[(morpholin-4-yl)methyl]-2-{4-[(2R)-5-oxopyrrolidin-2-yl]phenyl}quinoline-7-carbonitrile","C25 H24 N4 O2","O=C1CCC(N1)c1ccc(cc1)c1cc(CN2CCOCC2)c2ccc(C#N)cc2n1;O=C1CC[CH](N1)c2ccc(cc2)c3cc(CN4CCOCC4)c5ccc(cc5n3)C#N;c1cc(ccc1c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4)C5CCC(=O)N5","InChI=1S/C25H24N4O2/c26-15-17-1-6-21-20(16-29-9-11-31-12-10-29)14-23(27-24(21)13-17)19-4-2-18(3-5-19)22-7-8-25(30)28-22/h1-6,13-14,22H,7-12,16H2,(H,28,30)/t22-/m1/s1","","2024-08-16","2025-08-08","4-[(morpholin-4-yl)methyl]-2-{4-[(2R)-5-oxopyrrolidin-2-yl]phenyl}quinoline-7-carbonitrile","2025-08-13"],["J01","(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID","C8 H9 N O5","O=C2N1C(C(/OC1C2)=C/CO)C(=O)O;OCC=C1O[CH]2CC(=O)N2[CH]1C(O)=O;C1C2N(C1=O)C(C(=CCO)O2)C(=O)O","InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1","CLAVULANIC ACID","2006-11-29","2020-06-17","(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["YE7","IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE","C12 H10 N4 O","O=C(c1nc2c3c(ccn2c1)cccc3)NN;NNC(=O)c1cn2ccc3ccccc3c2n1;c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN","InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)","","2007-03-29","2011-06-04","imidazo[2,1-a]isoquinoline-2-carbohydrazide",""],["YE9","[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone","C30 H39 N5 O6","O=C(c1cc(nc(OCC2CCOCC2)c1)C1CC1)N1CCC2CN(CC2CC1)C(=O)N1Cc2onc(O)c2CC1;Oc1noc2CN(CCc12)C(=O)N3C[CH]4CCN(CC[CH]4C3)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CCC5CN(CC5CC4)C(=O)N6CCc7c(onc7O)C6","InChI=1S/C30H39N5O6/c36-28-24-5-10-34(17-26(24)41-32-28)30(38)35-15-21-3-8-33(9-4-22(21)16-35)29(37)23-13-25(20-1-2-20)31-27(14-23)40-18-19-6-11-39-12-7-19/h13-14,19-22H,1-12,15-18H2,(H,32,36)","","2023-06-13","2024-12-13","[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone","2024-12-18"],["J02","2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid","C14 H17 N5 O6 S","CC(C)(C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1)[S](O)(=O)=O;CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O","InChI=1S/C14H17N5O6S/c1-14(2,26(23,24)25)13(20)15-7-11-9-18(17-16-11)8-10-3-5-12(6-4-10)19(21)22/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,23,24,25)","","2019-01-08","2024-09-27","2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid","2020-04-08"],["A1A2Q","N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine","C15 H19 F3 N6 S","NC1CCC(CC1)CNc1nc(Nc2ncc(s2)C(F)(F)F)ccn1;N[CH]1CC[CH](CC1)CNc2nccc(Nc3sc(cn3)C(F)(F)F)n2;c1cnc(nc1Nc2ncc(s2)C(F)(F)F)NCC3CCC(CC3)N","InChI=1S/C15H19F3N6S/c16-15(17,18)11-8-22-14(25-11)24-12-5-6-20-13(23-12)21-7-9-1-3-10(19)4-2-9/h5-6,8-10H,1-4,7,19H2,(H2,20,21,22,23,24)/t9-,10+","","2024-08-19","2025-03-28","N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine","2025-04-02"],["YEA","3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide","C22 H16 F4 N4 O2","CNC(=O)c1cc(F)cc(CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F)c1;CNC(=O)c1cc(cc(c1)F)CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F","InChI=1S/C22H16F4N4O2/c1-27-20(31)15-6-12(7-16(23)9-15)11-30-5-4-14-8-13(2-3-17(14)21(30)32)18-10-28-29-19(18)22(24,25)26/h2-10H,11H2,1H3,(H,27,31)(H,28,29)","","2023-11-30","2024-11-29","3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide","2024-12-04"],["J03","(2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol","C11 H15 N5 O4","COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;COc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)CO)O","InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1","","2021-03-08","2021-12-10","(2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol","2021-12-15"],["A1A2R","2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide","C18 H19 N7 O S","N#CCC(=O)NC12CC(C1)(C2)Nc1nc(Nc2ncc(s2)C2CC2)cnc1;O=C(CC#N)NC12CC(C1)(C2)Nc3cncc(Nc4sc(cn4)C5CC5)n3;c1c(sc(n1)Nc2cncc(n2)NC34CC(C3)(C4)NC(=O)CC#N)C5CC5","InChI=1S/C18H19N7OS/c19-4-3-15(26)25-18-8-17(9-18,10-18)24-14-7-20-6-13(22-14)23-16-21-5-12(27-16)11-1-2-11/h5-7,11H,1-3,8-10H2,(H,25,26)(H2,21,22,23,24)/t17-,18+","","2024-08-19","2025-03-28","2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide","2025-04-02"],["J04","7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium","C20 H23 N2 O7 S","COc1c(OC)c(OC)cc(c1)C[n+]2ccc3cc(c(cc3c2)OC)OS(N)(=O)=O;COc1cc2c[n+](Cc3cc(OC)c(OC)c(OC)c3)ccc2cc1O[S](N)(=O)=O;COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N","InChI=1S/C20H23N2O7S/c1-25-16-10-15-12-22(6-5-14(15)9-17(16)29-30(21,23)24)11-13-7-18(26-2)20(28-4)19(8-13)27-3/h5-10,12H,11H2,1-4H3,(H2,21,23,24)/q+1","","2018-08-01","2019-03-22","7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium","2019-03-27"],["A1A2S","N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine","C23 H27 Cl N6 S","Clc1cccc(c1)C1CC(CCC1N)CNc1nc(Nc2ncc(s2)C2CC2)ccn1;N[CH]1CC[CH](CNc2nccc(Nc3sc(cn3)C4CC4)n2)C[CH]1c5cccc(Cl)c5;c1cc(cc(c1)Cl)C2CC(CCC2N)CNc3nccc(n3)Nc4ncc(s4)C5CC5","InChI=1S/C23H27ClN6S/c24-17-3-1-2-16(11-17)18-10-14(4-7-19(18)25)12-27-22-26-9-8-21(29-22)30-23-28-13-20(31-23)15-5-6-15/h1-3,8-9,11,13-15,18-19H,4-7,10,12,25H2,(H2,26,27,28,29,30)/t14-,18-,19+/m1/s1","","2024-08-19","2025-03-28","N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine","2025-04-02"],["YEB","N,N-dimethylmorpholine-4-sulfonamide","C6 H14 N2 O3 S","O=S(=O)(N1CCOCC1)N(C)C;CN(C)[S](=O)(=O)N1CCOCC1;CN(C)S(=O)(=O)N1CCOCC1","InChI=1S/C6H14N2O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h3-6H2,1-2H3","","2023-01-26","2023-02-10","N,N-dimethylmorpholine-4-sulfonamide","2023-02-15"],["A1A2V","4-methyl Erlotinib","C23 H25 N3 O4","C#Cc1cc(ccc1C)Nc1ncnc2cc(OCCOC)c(cc21)OCCOC;COCCOc1cc2ncnc(Nc3ccc(C)c(c3)C#C)c2cc1OCCOC;Cc1ccc(cc1C#C)Nc2c3cc(c(cc3ncn2)OCCOC)OCCOC","InChI=1S/C23H25N3O4/c1-5-17-12-18(7-6-16(17)2)26-23-19-13-21(29-10-8-27-3)22(30-11-9-28-4)14-20(19)24-15-25-23/h1,6-7,12-15H,8-11H2,2-4H3,(H,24,25,26)","N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine","2024-08-19","2025-10-24","N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine","2025-10-29"],["J05","1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid","C14 H17 Br N4 O4 S","CC(C)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S](O)(=O)=O;CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O","InChI=1S/C14H17BrN4O4S/c1-14(2,24(21,22)23)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,21,22,23)","","2019-01-08","2024-09-27","1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid","2020-03-25"],["YEC","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N,1-dimethyl-1H-imidazole-5-carboxamide","C18 H21 Cl N4 O2","Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)C(=O)NC;CNC(=O)c1cnc(COc2cc(Cl)c(cc2C(C)(C)C)C#N)n1C;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)C(=O)NC)Cl)C#N","InChI=1S/C18H21ClN4O2/c1-18(2,3)12-6-11(8-20)13(19)7-15(12)25-10-16-22-9-14(23(16)5)17(24)21-4/h6-7,9H,10H2,1-5H3,(H,21,24)","","2023-06-13","2024-12-13","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N,1-dimethyl-1H-imidazole-5-carboxamide","2024-12-18"],["J06","[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,39S,43S)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate","C60 H107 O4 P","CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(O)=O;CC(C)CCCC(C)CCCC(C)CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)CCOP(=O)(O)O)C)C)C)C)C)C)C)C","InChI=1S/C60H107O4P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-64-65(61,62)63/h31,33,35,37,39,41,43,45,49-51,60H,14-30,32,34,36,38,40,42,44,46-48H2,1-13H3,(H2,61,62,63)/b52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t50-,51-,60-/m0/s1","","2021-03-09","2021-09-03","[(3~{S},6~{Z},10~{Z},14~{Z},18~{Z},22~{Z},26~{Z},30~{Z},34~{Z},39~{S},43~{S})-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate","2021-09-08"],["A1A2Y","5-methoxy-L-tryptophan","C12 H14 N2 O3","O=C(O)C(N)Cc1c[NH]c2ccc(cc21)OC;COc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1;COc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1","","2024-08-20","2024-11-01","5-methoxy-L-tryptophan","2024-11-06"],["YED","(3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","C34 H51 N5 O7","O=C1C(NC(C(NC(C2N(C(C(N1)C(C)CC)=O)CCCC2)=O)CCCCCC(CC)(O)O)=O)Cc3c4c(n(c3)OC)cccc4;CC[CH](C)[CH]1NC(=O)[CH](Cc2cn(OC)c3ccccc23)NC(=O)[CH](CCCCCC(O)(O)CC)NC(=O)[CH]4CCCCN4C1=O;CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O","InChI=1S/C34H51N5O7/c1-5-22(3)29-33(43)38-19-13-11-17-28(38)32(42)35-25(15-8-7-12-18-34(44,45)6-2)30(40)36-26(31(41)37-29)20-23-21-39(46-4)27-16-10-9-14-24(23)27/h9-10,14,16,21-22,25-26,28-29,44-45H,5-8,11-13,15,17-20H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,25-,26-,28+,29-/m0/s1","","2021-02-23","2021-04-30","(3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","2021-05-05"],["J07","4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide","C20 H23 Cl N6 O","O=C(NCC)N4CCC(Nc1ncc(Cl)c(n1)c3c2ccccc2nc3)CC4;CCNC(=O)N1CCC(CC1)Nc2ncc(Cl)c(n2)c3c[nH]c4ccccc34;CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl","InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)","","2007-04-24","2011-06-04","4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide",""],["YEE","2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide","C27 H31 F N4 O2","COc1cc(cc(F)c1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCN(CC4)C(C)C;Cc1c(cncc1c2cc(c(c(c2)F)C(=O)N)OC)c3ccc(cc3)N4CCN(CC4)C(C)C","InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)","","2023-12-03","2024-03-29","2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide","2024-04-03"],["A1A2Z","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tryptophan","C19 H22 N3 O7 P","O=P(O)(O)OCc1cnc(C)c(O)c1CNC(Cc1c[NH]c2ccccc21)C(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](Cc2c[nH]c3ccccc23)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(Cc2c[nH]c3c2cccc3)C(=O)O)O","InChI=1S/C19H22N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-8,17,21-23H,6,9-10H2,1H3,(H,24,25)(H2,26,27,28)/t17-/m0/s1","","2024-08-21","2025-02-07","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tryptophan","2025-02-12"],["J08","4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide","C23 H22 N6 O","NC(=N)c1ccc(NCc2[nH]c(cn2)c3ccccc3)cc1OCc4cccnc4;c1ccc(cc1)c2cnc([nH]2)CNc3ccc(c(c3)OCc4cccnc4)C(=N)N","InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)","","2019-01-10","2019-05-03","4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide","2019-05-08"],["YEF","4-(4-methoxyphenyl)oxane-4-carboxylic acid","C13 H16 O4","OC(=O)C1(CCOCC1)c1ccc(OC)cc1;COc1ccc(cc1)C2(CCOCC2)C(O)=O;COc1ccc(cc1)C2(CCOCC2)C(=O)O","InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15)","","2023-01-26","2023-02-10","4-(4-methoxyphenyl)oxane-4-carboxylic acid","2023-02-15"],["A1A3A","1,1'-[(2E)-but-2-ene-1,4-diyl]bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazole-5-carboxamide}","C36 H40 N12 O6","Cc1cc(C(=O)Nc2nc3cc(cc(OC)c3n2CC=CCn2c3c(OC)cc(cc3nc2NC(=O)c2cc(C)nn2CC)C(N)=O)C(N)=O)n(CC)n1;CCn1nc(C)cc1C(=O)Nc2nc3cc(cc(OC)c3n2CC=CCn4c(NC(=O)c5cc(C)nn5CC)nc6cc(cc(OC)c46)C(N)=O)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CC=CCn4c5c(cc(cc5OC)C(=O)N)nc4NC(=O)c6cc(nn6CC)C)OC)C(=O)N","InChI=1S/C36H40N12O6/c1-7-47-25(13-19(3)43-47)33(51)41-35-39-23-15-21(31(37)49)17-27(53-5)29(23)45(35)11-9-10-12-46-30-24(16-22(32(38)50)18-28(30)54-6)40-36(46)42-34(52)26-14-20(4)44-48(26)8-2/h9-10,13-18H,7-8,11-12H2,1-6H3,(H2,37,49)(H2,38,50)(H,39,41,51)(H,40,42,52)/b10-9+","","2024-08-23","2025-06-13","1,1'-[(2E)-but-2-ene-1,4-diyl]bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazole-5-carboxamide}","2025-06-18"],["J0A","(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate","C19 H22 N2 O7 S2","COc1c(cc4c(c1)c2c(C3C(C=C2)(C(CC3)OS(=O)(=O)N)C)cc4)OS(=O)(=O)N;COc1cc2c(ccc3[CH]4CC[CH](O[S](N)(=O)=O)[C]4(C)C=Cc23)cc1O[S](N)(=O)=O;CC12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)C1CCC2OS(=O)(=O)N","InChI=1S/C19H22N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h3-4,7-10,15,18H,5-6H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t15-,18-,19-/m0/s1","","2018-08-01","2019-03-22","(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate","2019-03-27"],["YEG","cyclopentanol","C5 H10 O","OC1CCCC1;OC1CCCC1;C1CCC(C1)O","InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","","2011-05-04","2011-09-16","cyclopentanol",""],["A1A3B","{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid","C15 H18 F N2 O4 P","O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)N1CCCC1;CN1C(=O)C=C(C[P](O)(O)=O)c2cc(F)c(cc12)N3CCCC3;CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)N3CCCC3","InChI=1S/C15H18FN2O4P/c1-17-13-8-14(18-4-2-3-5-18)12(16)7-11(13)10(6-15(17)19)9-23(20,21)22/h6-8H,2-5,9H2,1H3,(H2,20,21,22)","","2024-08-23","2025-08-29","{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid","2025-09-03"],["YEH","[(3aS,3bS,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-chloro-9H-carbazol-2-yl)methanone","C28 H23 Cl N6 O2","Clc1cc2c3ccc(cc3[NH]c2cc1)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1;Clc1ccc2[nH]c3cc(ccc3c2c1)C(=O)N4C[CH]5[CH](C4)[CH]6CN(C[CH]56)C(=O)c7ccc8[nH]nnc8c7;c1cc2c3cc(ccc3[nH]c2cc1C(=O)N4CC5C(C4)C6C5CN(C6)C(=O)c7ccc8c(c7)nn[nH]8)Cl","InChI=1S/C28H23ClN6O2/c29-16-3-6-23-18(9-16)17-4-1-14(7-25(17)30-23)27(36)34-10-19-20(11-34)22-13-35(12-21(19)22)28(37)15-2-5-24-26(8-15)32-33-31-24/h1-9,19-22,30H,10-13H2,(H,31,32,33)/t19-,20+,21+,22?/m0/s1","","2023-06-13","2024-12-13","[(3aS,3bS,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-chloro-9H-carbazol-2-yl)methanone","2024-12-18"],["J0B","1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one","C13 H17 I N6 O","CCC(=O)N1CCC[CH](C1)n2nc(I)c3c(N)ncnc23;CCC(=O)N1CCCC(C1)n2c3c(c(ncn3)N)c(n2)I","InChI=1S/C13H17IN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h7-8H,2-6H2,1H3,(H2,15,16,17)/t8-/m1/s1","","2019-01-10","2024-09-27","1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one","2019-05-22"],["A1A3E","(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine","C11 H14 Cl N5","Clc1ccc(cc1)N1C(N)=NC(N)=NC1CC;CC[CH]1N=C(N)N=C(N)N1c2ccc(Cl)cc2;CCC1N=C(N=C(N1c2ccc(cc2)Cl)N)N","InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)/t9-/m0/s1","","2024-08-23","2025-02-21","(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine","2025-02-26"],["A1A3F","(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile","C15 H16 N4","Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1;CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N;Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC","InChI=1S/C15H16N4/c1-10-3-14(19-15(17)4-10)13-6-11(8-16)5-12(7-13)9-18-2/h3-7,18H,9H2,1-2H3,(H2,17,19)","","2024-08-23","2025-04-25","(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile","2025-04-30"],["J0C","2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","C14 H17 N7 O","NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]c2N1;C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N","InChI=1S/C14H17N7O/c1-2-3-4-14(20-21-14)5-6-16-7-9-8-17-11-10(9)12(22)19-13(15)18-11/h1,8,16H,3-7H2,(H4,15,17,18,19,22)","","2021-03-09","2021-11-12","2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","2021-11-17"],["YEI","~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide","C22 H19 N3 O3","CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4conc4C)c1;Cc1c(con1)c2ccc3c(c2)C=CN(C3=O)Cc4cccc(c4)C(=O)NC","InChI=1S/C22H19N3O3/c1-14-20(13-28-24-14)16-6-7-19-17(11-16)8-9-25(22(19)27)12-15-4-3-5-18(10-15)21(26)23-2/h3-11,13H,12H2,1-2H3,(H,23,26)","","2023-11-30","2024-11-29","~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide","2024-12-04"],["A1A3Q","N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide","C10 H12 N4 O","CC(=O)NC(C)c1nnc2ccccn21;C[CH](NC(C)=O)c1nnc2ccccn12;CC(c1nnc2n1cccc2)NC(=O)C","InChI=1S/C10H12N4O/c1-7(11-8(2)15)10-13-12-9-5-3-4-6-14(9)10/h3-7H,1-2H3,(H,11,15)/t7-/m0/s1","","2024-08-29","2024-11-01","N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide","2024-11-06"],["YEJ","8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one","C20 H28 N4 O4 S","CC1=Cc2ccnc(N[CH]3CCNC[CH]3OCC4CC[S](=O)(=O)CC4)c2NC1=O;CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3OCC4CCS(=O)(=O)CC4","InChI=1S/C20H28N4O4S/c1-13-10-15-2-7-22-19(18(15)24-20(13)25)23-16-3-6-21-11-17(16)28-12-14-4-8-29(26,27)9-5-14/h2,7,10,14,16-17,21H,3-6,8-9,11-12H2,1H3,(H,22,23)(H,24,25)/t16-,17-/m1/s1","","2015-07-11","2015-08-07","8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one","2015-08-12"],["J0D","1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium","C19 H17 N2 S","CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](cc3)C;CN1C(Sc2ccccc12)=Cc3cc[n+](C)c4ccccc34;C[n+]1ccc(c2c1cccc2)C=C3N(c4ccccc4S3)C","InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1","Thiazole orange","2018-08-01","2020-06-17","1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium","2019-07-31"],["A1A3R","(2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine","C9 H14 Cl N3 O S","CC1COC(C)CN1Cc1nnsc1Cl;C[CH]1CN(Cc2nnsc2Cl)[CH](C)CO1;CC1CN(C(CO1)C)Cc2c(snn2)Cl","InChI=1S/C9H14ClN3OS/c1-6-5-14-7(2)3-13(6)4-8-9(10)15-12-11-8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1","","2024-08-29","2024-11-01","(2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine","2024-11-06"],["J0E","1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C19 H22 N6 O2","CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(O)cc3)c4c(N)ncnc24;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N","InChI=1S/C19H22N6O2/c1-2-15(27)24-9-3-4-13(10-24)25-19-16(18(20)21-11-22-19)17(23-25)12-5-7-14(26)8-6-12/h5-8,11,13,26H,2-4,9-10H2,1H3,(H2,20,21,22)/t13-/m1/s1","","2019-01-10","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2019-05-22"],["YEK","methyl 1-(methanesulfonyl)-2-methyl-D-prolinate","C8 H15 N O4 S","O=S(C)(=O)N1CCCC1(C)C(=O)OC;COC(=O)[C]1(C)CCCN1[S](C)(=O)=O;CC1(CCCN1S(=O)(=O)C)C(=O)OC","InChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1","","2023-01-26","2023-02-10","methyl 1-(methanesulfonyl)-2-methyl-D-prolinate","2023-02-15"],["A1A3U","N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine","C10 H14 N2","CC(NC1CC1)c1cccnc1;C[CH](NC1CC1)c2cccnc2;CC(c1cccnc1)NC2CC2","InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3/t8-/m0/s1","","2024-08-29","2024-11-01","N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine","2024-11-06"],["J0F","5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine","C10 H12 Br N3","CCCc1[nH]c2nc(C)ncc2c1Br;CCCc1c(c2cnc(nc2[nH]1)C)Br","InChI=1S/C10H12BrN3/c1-3-4-8-9(11)7-5-12-6(2)13-10(7)14-8/h5H,3-4H2,1-2H3,(H,12,13,14)","","2021-03-10","2021-07-30","5-bromanyl-2-methyl-6-propyl-7~{H}-pyrrolo[2,3-d]pyrimidine","2021-08-04"],["YEL","5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile","C19 H21 Cl N4 O2","CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc2C(=O)N(C)CCn21;CN1CCn2c(COc3cc(Cl)c(cc3C(C)(C)C)C#N)ncc2C1=O;CC(C)(C)c1cc(c(cc1OCc2ncc3n2CCN(C3=O)C)Cl)C#N","InChI=1S/C19H21ClN4O2/c1-19(2,3)13-7-12(9-21)14(20)8-16(13)26-11-17-22-10-15-18(25)23(4)5-6-24(15)17/h7-8,10H,5-6,11H2,1-4H3","","2023-06-13","2024-12-13","5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile","2024-12-18"],["J0G","2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide","C23 H26 N4 O2","N(C(c2c(cc(c1ccncc1)cc2)NCCN)=O)C(c3cc(OC)ccc3)C;COc1cccc(c1)[CH](C)NC(=O)c2ccc(cc2NCCN)c3ccncc3;CC(c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3","InChI=1S/C23H26N4O2/c1-16(18-4-3-5-20(14-18)29-2)27-23(28)21-7-6-19(15-22(21)26-13-10-24)17-8-11-25-12-9-17/h3-9,11-12,14-16,26H,10,13,24H2,1-2H3,(H,27,28)/t16-/m1/s1","","2018-08-01","2018-11-09","2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide","2018-11-14"],["YEM","N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide","C23 H29 N5 O2","O=C(C1CN(C)C1)NC(CCCC)c2nc(cn2)c3c(nc4c(c3)cccc4)OC;CCCC[CH](NC(=O)C1CN(C)C1)c2[nH]c(cn2)c3cc4ccccc4nc3OC;CCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C","InChI=1S/C23H29N5O2/c1-4-5-9-19(26-22(29)16-13-28(2)14-16)21-24-12-20(25-21)17-11-15-8-6-7-10-18(15)27-23(17)30-3/h6-8,10-12,16,19H,4-5,9,13-14H2,1-3H3,(H,24,25)(H,26,29)/t19-/m0/s1","","2021-02-23","2021-04-30","N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide","2021-05-05"],["J0J","D-alanyl-N-[(2S,6R)-6-amino-6-carboxy-1-{[(1R)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-D-glutamine","C18 H31 N5 O9","O=C(NC(C(=O)O)CCC(=O)NC(C(=O)NC(C(=O)O)C)CCCC(C(=O)O)N)C(N)C;C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCC[CH](N)C(O)=O)C(=O)N[CH](C)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)N","InChI=1S/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t8-,9-,10-,11+,12-/m1/s1","","2013-05-21","2013-07-12","D-alanyl-N-[(2S,6R)-6-amino-6-carboxy-1-{[(1R)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-D-glutamine","2013-07-17"],["A1A3Y","2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amine","C8 H18 N2","CC1(C)CCCN1CCN;CC1(C)CCCN1CCN;CC1(CCCN1CCN)C","InChI=1S/C8H18N2/c1-8(2)4-3-6-10(8)7-5-9/h3-7,9H2,1-2H3","","2024-08-29","2024-11-01","2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amine","2024-11-06"],["YEN","N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide","C21 H30 N5 O11 P","O=C(N)C(NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)CCC(=O)O)CC(=O)N;CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CC(N)=O)C(N)=O;CNC(=O)CC(Cc1ccc(cc1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)N","InChI=1S/C21H30N5O11P/c1-24-17(28)9-12(8-11-2-4-13(5-3-11)37-38(34,35)36)20(32)25-14(6-7-18(29)30)21(33)26-15(19(23)31)10-16(22)27/h2-5,12,14-15H,6-10H2,1H3,(H2,22,27)(H2,23,31)(H,24,28)(H,25,32)(H,26,33)(H,29,30)(H2,34,35,36)/t12-,14-,15-/m0/s1","","2010-02-03","2011-06-04","N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide",""],["A1A3Z","N,N-diethyl-2-methylbenzamide","C12 H17 N O","Cc1ccccc1C(=O)N(CC)CC;CCN(CC)C(=O)c1ccccc1C;CCN(CC)C(=O)c1ccccc1C","InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3","","2024-08-29","2024-11-01","N,N-diethyl-2-methylbenzamide","2024-11-06"],["YEQ","4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol","C17 H21 N3 O","CC(c1ncccn1)N1CCCC(C1)c1ccc(O)cc1;C[CH](N1CCC[CH](C1)c2ccc(O)cc2)c3ncccn3;CC(c1ncccn1)N2CCCC(C2)c3ccc(cc3)O","InChI=1S/C17H21N3O/c1-13(17-18-9-3-10-19-17)20-11-2-4-15(12-20)14-5-7-16(21)8-6-14/h3,5-10,13,15,21H,2,4,11-12H2,1H3/t13-,15+/m1/s1","","2023-12-04","2024-05-24","4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol","2024-05-29"],["J0K","4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide","C24 H29 Cl Ir N3 O4 S","CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3cc(O)ccn3)cc2;CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C","InChI=1S/C14H15N3O4S.C10H15.ClH.Ir/c15-22(20,21)12-3-1-10(2-4-12)5-7-17-14(19)13-9-11(18)6-8-16-13;1-6-7(2)9(4)10(5)8(6)3;;/h1-4,6,8-9H,5,7H2,(H4,15,16,17,18,19,20,21);1-5H3;1H;/q;;;+2/p-2","","2019-01-10","2019-04-12","4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide","2019-04-17"],["J0L","3,3-dimethyl-7-(methylamino)-1H-indol-2-one","C11 H14 N2 O","CNc1cccc2c1NC(=O)C2(C)C;CC1(c2cccc(c2NC1=O)NC)C","InChI=1S/C11H14N2O/c1-11(2)7-5-4-6-8(12-3)9(7)13-10(11)14/h4-6,12H,1-3H3,(H,13,14)","","2021-03-10","2021-07-30","3,3-dimethyl-7-(methylamino)-1~{H}-indol-2-one","2021-08-04"],["A1A4A","(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide","C9 H13 N3 O2 S","O=C(Nc1nnc(CC)s1)C1CCCO1;CCc1sc(NC(=O)[CH]2CCCO2)nn1;CCc1nnc(s1)NC(=O)C2CCCO2","InChI=1S/C9H13N3O2S/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h6H,2-5H2,1H3,(H,10,12,13)","","2024-08-29","2024-11-01","(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide","2024-11-06"],["YER","3-[(pyrimidin-2-yl)amino]benzoic acid","C11 H9 N3 O2","O=C(O)c1cc(ccc1)Nc1ncccn1;OC(=O)c1cccc(Nc2ncccn2)c1;c1cc(cc(c1)Nc2ncccn2)C(=O)O","InChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14)","","2023-01-26","2023-02-10","3-[(pyrimidin-2-yl)amino]benzoic acid","2023-02-15"],["J0M","D-galactonic acid","C6 H12 O7","C(C(C(C(CO)O)O)O)(O)C(O)=O;OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)O","InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1","D-galactonate","2018-08-02","2020-06-17","D-galactonic acid","2019-05-22"],["YES","3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol","C9 H20 O5","OCC(C(CCO)CCO)(CO)CO;OCCC(CCO)C(CO)(CO)CO;C(CO)C(CCO)C(CO)(CO)CO","InChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2","","2009-03-19","2011-06-04","3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol",""],["A1A4B","[(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone","C11 H16 N2 O S","O=C(N1CCCCC1C)c1scnc1C;C[CH]1CCCCN1C(=O)c2scnc2C;Cc1c(scn1)C(=O)N2CCCCC2C","InChI=1S/C11H16N2OS/c1-8-5-3-4-6-13(8)11(14)10-9(2)12-7-15-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1","","2024-08-29","2024-11-01","[(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone","2024-11-06"],["YET","1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine","C23 H28 N6 O3","O=C2N(CC(=O)N1CCCC1)CCCCC2NC(=Nc4cc3c(oc(c3)C)cc4)/NC#N;Cc1oc2ccc(cc2c1)N=C(NC#N)N[CH]3CCCCN(CC(=O)N4CCCC4)C3=O;Cc1cc2cc(ccc2o1)N=C(NC#N)NC3CCCCN(C3=O)CC(=O)N4CCCC4","InChI=1S/C23H28N6O3/c1-16-12-17-13-18(7-8-20(17)32-16)26-23(25-15-24)27-19-6-2-3-11-29(22(19)31)14-21(30)28-9-4-5-10-28/h7-8,12-13,19H,2-6,9-11,14H2,1H3,(H2,25,26,27)/t19-/m0/s1","","2009-06-09","2011-06-04","1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine",""],["J0N","4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide","C24 H29 Cl Ir N3 O3 S","CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3ccccn3)cc2;CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C","InChI=1S/C14H15N3O3S.C10H15.ClH.Ir/c15-21(19,20)12-6-4-11(5-7-12)8-10-17-14(18)13-3-1-2-9-16-13;1-6-7(2)9(4)10(5)8(6)3;;/h1-7,9H,8,10H2,(H3,15,17,18,19,20);1-5H3;1H;/q;;;+2/p-2","","2019-01-10","2019-04-12","4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide","2019-04-17"],["YEU","(5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C13 H16 Cl N3 O","CC(C)c1cc(Cl)c(C)cc1C1=NNC(=O)N1C;CC(C)c1cc(Cl)c(C)cc1C2=NNC(=O)N2C;Cc1cc(c(cc1Cl)C(C)C)C2=NNC(=O)N2C","InChI=1S/C13H16ClN3O/c1-7(2)9-6-11(14)8(3)5-10(9)12-15-16-13(18)17(12)4/h5-7H,1-4H3,(H,16,18)","","2023-06-13","2024-12-13","(5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["J0O","4-(azetidine-1-carbonyl)-1-methyl-N-[2-(morpholin-4-yl)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide","C20 H22 N6 O3 S","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(sc2cc1)N1CCOCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccc4sc(nc4c3)N5CCOCC5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccc4c(c3)nc(s4)N5CCOCC5","InChI=1S/C20H22N6O3S/c1-24-17(14(12-21-24)19(28)25-5-2-6-25)18(27)22-13-3-4-16-15(11-13)23-20(30-16)26-7-9-29-10-8-26/h3-4,11-12H,2,5-10H2,1H3,(H,22,27)","","2022-02-01","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[2-(morpholin-4-yl)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["YEV","(2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide","C30 H33 N5 O3","C(NC(=O)C(C)c1c(nc2c1cc(O)cc2)C)(CCCC)c3nc(cn3)c4c(nc5c(c4)cccc5)OC;CCCC[CH](NC(=O)[CH](C)c1c(C)[nH]c2ccc(O)cc12)c3[nH]c(cn3)c4cc5ccccc5nc4OC;CCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C(C)c4c([nH]c5c4cc(cc5)O)C","InChI=1S/C30H33N5O3/c1-5-6-10-25(34-29(37)17(2)27-18(3)32-24-13-12-20(36)15-21(24)27)28-31-16-26(33-28)22-14-19-9-7-8-11-23(19)35-30(22)38-4/h7-9,11-17,25,32,36H,5-6,10H2,1-4H3,(H,31,33)(H,34,37)/t17-,25+/m1/s1","","2021-02-23","2021-04-30","(2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide","2021-05-05"],["J0P","N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide","C21 H18 N2 O3","n4ccc(c1ccc(cc1)C(=O)NCc2c3c(ccc2)OCCO3)cc4;O=C(NCc1cccc2OCCOc12)c3ccc(cc3)c4ccncc4;c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4","InChI=1S/C21H18N2O3/c24-21(17-6-4-15(5-7-17)16-8-10-22-11-9-16)23-14-18-2-1-3-19-20(18)26-13-12-25-19/h1-11H,12-14H2,(H,23,24)","","2018-08-02","2018-11-09","N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide","2018-11-14"],["J0R","[(2R)-1-(trimethyl-$l^4-azanyl)propan-2-yl] ethanoate","C8 H18 N O2","C[CH](C[N](C)(C)C)OC(C)=O;CC(C[N](C)(C)C)OC(=O)C","InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1","","2021-03-16","2022-04-22","[(2~{R})-1-(trimethyl-$l^{4}-azanyl)propan-2-yl] ethanoate","2022-04-27"],["YEW","~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide","C22 H20 N4 O2","CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4ccnn4C)c1;CNC(=O)c1cccc(c1)CN2C=Cc3cc(ccc3C2=O)c4ccnn4C","InChI=1S/C22H20N4O2/c1-23-21(27)18-5-3-4-15(12-18)14-26-11-9-16-13-17(6-7-19(16)22(26)28)20-8-10-24-25(20)2/h3-13H,14H2,1-2H3,(H,23,27)","","2023-11-30","2024-11-29","~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide","2024-12-04"],["A1A4R","(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","C28 H26 Cl N O5","CC(C)(C)c1ccc(cc1Cl)N1C(=O)c2ccccc2C(C(=O)O)C1c1ccc2OCCOc2c1;CC(C)(C)c1ccc(cc1Cl)N2[CH]([CH](C(O)=O)c3ccccc3C2=O)c4ccc5OCCOc5c4;CC(C)(C)c1ccc(cc1Cl)N2C(C(c3ccccc3C2=O)C(=O)O)c4ccc5c(c4)OCCO5","InChI=1S/C28H26ClNO5/c1-28(2,3)20-10-9-17(15-21(20)29)30-25(16-8-11-22-23(14-16)35-13-12-34-22)24(27(32)33)18-6-4-5-7-19(18)26(30)31/h4-11,14-15,24-25H,12-13H2,1-3H3,(H,32,33)/t24-,25+/m0/s1","","2024-09-05","2025-06-13","(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","2025-06-18"],["YEX","5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE","C15 H12 N4 O","O=C1N2c4c(C(=CC2=NN1)C)ccc(c3cccn3)c4;CC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]ccc4;CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4","InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20)","","2011-03-31","2012-03-09","5-methyl-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one",""],["A1A4U","(2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide","C32 H35 N3 O3 S2","O=S(=O)(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1ccccc1;O=C(NCCCc1cccnc1)[CH](Cc2ccccc2)SC[CH](Cc3ccccc3)N[S](=O)(=O)c4ccccc4;c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3)NS(=O)(=O)c4ccccc4","InChI=1S/C32H35N3O3S2/c36-32(34-21-11-17-28-16-10-20-33-24-28)31(23-27-14-6-2-7-15-27)39-25-29(22-26-12-4-1-5-13-26)35-40(37,38)30-18-8-3-9-19-30/h1-10,12-16,18-20,24,29,31,35H,11,17,21-23,25H2,(H,34,36)/t29-,31+/m0/s1","","2024-09-05","2025-01-03","(2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide","2025-01-08"],["J0S","(3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C28 H37 N3 O8 S","O(c1ccc(cc1)S(=O)(N(CC(C)C)CC(O)C(NC(OC3CC2OC(=O)NC2C3)=O)Cc4ccccc4)=O)C;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4NC(=O)O[CH]4C3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C28H37N3O8S/c1-18(2)16-31(40(35,36)22-11-9-20(37-3)10-12-22)17-25(32)23(13-19-7-5-4-6-8-19)29-27(33)38-21-14-24-26(15-21)39-28(34)30-24/h4-12,18,21,23-26,32H,13-17H2,1-3H3,(H,29,33)(H,30,34)/t21-,23+,24+,25-,26-/m1/s1","","2018-08-02","2018-11-02","(3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2018-11-07"],["A1A4V","N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide","C36 H36 N4 O2 S","O=C(NC(Cc1cccc2ccccc21)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1;O=C(NCCCc1cccnc1)[CH](Cc2ccccc2)SC[CH](Cc3cccc4ccccc34)NC(=O)c5cccnc5;c1ccc(cc1)CC(C(=O)NCCCc2cccnc2)SCC(Cc3cccc4c3cccc4)NC(=O)c5cccnc5","InChI=1S/C36H36N4O2S/c41-35(31-17-9-20-38-25-31)40-32(23-30-16-6-15-29-14-4-5-18-33(29)30)26-43-34(22-27-10-2-1-3-11-27)36(42)39-21-8-13-28-12-7-19-37-24-28/h1-7,9-12,14-20,24-25,32,34H,8,13,21-23,26H2,(H,39,42)(H,40,41)/t32-,34+/m0/s1","","2024-09-05","2025-01-03","N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide","2025-01-08"],["J0T","(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol","C25 H26 F2 N6 O5 S","OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5;c1cc(cc(c1)F)c2cn(nn2)CC(CSC3C(C(C(C(O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O","InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21-,22+,23+,24-,25+/m1/s1","","2019-01-11","2019-01-18","(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol","2019-01-23"],["YEY","2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole","C12 H11 N O2","c1c(ccc2c1OCCO2)c3cccn3;C1COc2cc(ccc2O1)c3[nH]ccc3;c1cc([nH]c1)c2ccc3c(c2)OCCO3","InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2","","2021-02-24","2021-05-21","2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole","2021-05-26"],["J0U","(2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one","C26 H30 O6","COc1cc(O)c(C[CH](CC=C(C)C)C(C)=C)c2O[CH](CC(=O)c12)c3ccc(O)cc3O;CC(=CCC(Cc1c(cc(c2c1OC(CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C","InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1","Kurarinone","2021-03-17","2022-03-04","(2~{S})-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2~{R})-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one","2022-03-09"],["A1A4X","benzyl (3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}propyl)carbamate","C27 H31 N7 O5","Cc1cc(C(=O)Nc2nc3cc(cc(OC)c3n2CCCNC(=O)OCc2ccccc2)C(N)=O)n(CC)n1;CCn1nc(C)cc1C(=O)Nc2nc3cc(cc(OC)c3n2CCCNC(=O)OCc4ccccc4)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CCCNC(=O)OCc4ccccc4)OC)C(=O)N","InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)","","2024-09-05","2025-06-13","benzyl (3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}propyl)carbamate","2025-06-18"],["YEZ","[1]benzofuro[2,3-d]pyridazin-4(3H)-one","C10 H6 N2 O2","O=C1NN=Cc2c3ccccc3oc21;O=C1NN=Cc2c1oc3ccccc23;c1ccc2c(c1)c3c(o2)C(=O)NN=C3","InChI=1S/C10H6N2O2/c13-10-9-7(5-11-12-10)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)","","2023-01-26","2023-02-10","[1]benzofuro[2,3-d]pyridazin-4(3H)-one","2023-02-15"],["J0V","1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid","C19 H18 O6 S","c3c4c1c(c(C)c(o1)S(=O)(=O)O)C(=O)C(=O)c4c2c(C(C)(CCC2)C)c3;Cc1c(oc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12)[S](O)(=O)=O;Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C","InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24)","","2018-08-02","2020-07-24","1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid","2020-07-29"],["YF0","(3,5-dichlorophenyl)methyl (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C21 H21 Cl2 N3 O5 S","NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1cc(Cl)cc(Cl)c1;N[S](=O)(=O)c1ccc(cc1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)OCc4cc(Cl)cc(Cl)c4;c1cc(ccc1C(=O)N2CC3CN(CC3C2)C(=O)OCc4cc(cc(c4)Cl)Cl)S(=O)(=O)N","InChI=1S/C21H21Cl2N3O5S/c22-17-5-13(6-18(23)7-17)12-31-21(28)26-10-15-8-25(9-16(15)11-26)20(27)14-1-3-19(4-2-14)32(24,29)30/h1-7,15-16H,8-12H2,(H2,24,29,30)","","2023-06-13","2024-12-13","(3,5-dichlorophenyl)methyl (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1A4Y","3-(methanesulfonyl)propan-1-amine","C4 H11 N O2 S","NCCCS(C)(=O)=O;C[S](=O)(=O)CCCN;CS(=O)(=O)CCCN","InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3","","2024-09-05","2025-09-08","3-(methanesulfonyl)propan-1-amine","2025-01-29"],["J0W","(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID","C23 H27 N O3","CC(C)CN1CCc2cc(O)ccc2[C]1(C)c3ccc(C=CC(O)=O)cc3;CC(C)CN1CCc2cc(ccc2C1(C)c3ccc(cc3)C=CC(=O)O)O","InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1","","2015-12-14","2016-02-05","(E)-3-[4-[(1R)-1-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid","2016-02-10"],["YF1","2,5-DIMETHYLPYRIMIDIN-4-AMINE","C6 H9 N3","n1c(N)c(cnc1C)C;Cc1ncc(C)c(N)n1;Cc1cnc(nc1N)C","InChI=1/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)/f/h7H2","","2004-07-01","2009-09-15","2,5-dimethylpyrimidin-4-amine",""],["J0X","2-[[2-oxidanylidene-1-[(2R,4S,5R)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid","C11 H16 N3 O9 P","O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)NCC(O)=O;C1C(C(OC1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O","InChI=1S/C11H16N3O9P/c15-6-3-9(23-7(6)5-22-24(19,20)21)14-2-1-8(13-11(14)18)12-4-10(16)17/h1-2,6-7,9,15H,3-5H2,(H,16,17)(H,12,13,18)(H2,19,20,21)/t6-,7+,9+/m0/s1","","2021-03-17","2022-03-04","2-[[2-oxidanylidene-1-[(2~{R},4~{S},5~{R})-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid","2022-03-09"],["YF2","N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide","C30 H28 N6 O3 S","CC(n1ccc2c1cc(cc2NS(CC)(=O)=O)c3cn(C)c4c3C=CNC4=O)(c5ccccn5)c6ncccc6;CC[S](=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c3ccccn3)c4ccccn4)c5cn(C)c6C(=O)NC=Cc56;CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C","InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)","","2019-05-20","2020-05-15","N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide","2020-05-20"],["A1A5B","3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid","C13 H9 N O5 S","O=C(Nc1ccsc1C(=O)O)c1ccc2OCOc2c1;OC(=O)c1sccc1NC(=O)c2ccc3OCOc3c2;c1cc2c(cc1C(=O)Nc3ccsc3C(=O)O)OCO2","InChI=1S/C13H9NO5S/c15-12(14-8-3-4-20-11(8)13(16)17)7-1-2-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,14,15)(H,16,17)","","2024-09-09","2025-06-06","3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid","2025-06-11"],["YF3","2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL","C9 H16 N4 S","n1c(N)c(cnc1C)CNC(C)CS;C[CH](CS)NCc1cnc(C)nc1N;Cc1ncc(c(n1)N)CNC(C)CS","InChI=1S/C9H16N4S/c1-6(5-14)11-3-8-4-12-7(2)13-9(8)10/h4,6,11,14H,3,5H2,1-2H3,(H2,10,12,13)","","2004-07-01","2011-06-04","(2S)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol",""],["J0Y","(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide","C17 H11 F7 N2 O3","FC(F)(F)C(F)C(=O)NC(C(=O)NO)c1ccc(cc1)c2cc(F)c(c(c2)F)F;ONC(=O)[CH](NC(=O)[CH](F)C(F)(F)F)c1ccc(cc1)c2cc(F)c(F)c(F)c2;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C(C(F)(F)F)F","InChI=1S/C17H11F7N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(15(27)26-29)25-16(28)14(21)17(22,23)24/h1-6,13-14,29H,(H,25,28)(H,26,27)/t13-,14-/m1/s1","","2018-08-03","2018-12-21","(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide","2018-12-26"],["A1A5E","(2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid","C14 H16 N2 O4","O=C(O)C(C)CNC(=O)c1ccc2NC(=O)CCc2c1;C[CH](CNC(=O)c1ccc2NC(=O)CCc2c1)C(O)=O;CC(CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O","InChI=1S/C14H16N2O4/c1-8(14(19)20)7-15-13(18)10-2-4-11-9(6-10)3-5-12(17)16-11/h2,4,6,8H,3,5,7H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t8-/m0/s1","","2024-09-09","2025-06-06","(2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid","2025-06-11"],["J0Z","benzyl acetate","C9 H10 O2","O=C(OCc1ccccc1)C;CC(=O)OCc1ccccc1;CC(=O)OCc1ccccc1","InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3","","2009-06-16","2011-06-04","benzyl acetate",""],["YF4","5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE","C9 H16 N4","n1c(N)c(cnc1C)CN(CC)C;CCN(C)Cc1cnc(C)nc1N;CCN(C)Cc1cnc(nc1N)C","InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)","","2004-07-01","2011-06-04","5-{[ethyl(methyl)amino]methyl}-2-methylpyrimidin-4-amine",""],["A1A5F","(2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide","C17 H20 N4 O2","Cc1ccc2OC(CCc2c1)C(=O)Nc1nnc2CCCCn21;Cc1ccc2O[CH](CCc2c1)C(=O)Nc3nnc4CCCCn34;Cc1ccc2c(c1)CCC(O2)C(=O)Nc3nnc4n3CCCC4","InChI=1S/C17H20N4O2/c1-11-5-7-13-12(10-11)6-8-14(23-13)16(22)18-17-20-19-15-4-2-3-9-21(15)17/h5,7,10,14H,2-4,6,8-9H2,1H3,(H,18,20,22)/t14-/m0/s1","","2024-09-09","2025-06-06","(2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide","2025-06-11"],["J10","Methyl farnesoate","C16 H26 O2","COC(=O)C=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C","InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10?,15-12-","(2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate","2021-03-18","2021-09-24","methyl 3,7,11-trimethyldodeca-2,6,10-trienoate","2021-09-29"],["YF5","Agmatinamic acid","C10 H22 N4 O5","N[CH](CCCNC(N)=N)[CH](O)C[CH](O)[CH](O)C(O)=O;C(CC(C(CC(C(C(=O)O)O)O)O)N)CNC(=N)N","InChI=1S/C10H22N4O5/c11-5(2-1-3-14-10(12)13)6(15)4-7(16)8(17)9(18)19/h5-8,15-17H,1-4,11H2,(H,18,19)(H4,12,13,14)/t5-,6+,7+,8-/m1/s1","(2R,3S,5S,6R)-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid; AGA","2023-12-04","2024-09-27","(2~{R},3~{S},5~{S},6~{R})-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid","2024-07-24"],["A1A5P","6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one","C19 H18 F3 N3 O","FC(F)(F)c1ccc(cc1)Cc1c2C(C)=CN(C(=O)c2nn1C)C1CC1;Cn1nc2C(=O)N(C=C(C)c2c1Cc3ccc(cc3)C(F)(F)F)C4CC4;CC1=CN(C(=O)c2c1c(n(n2)C)Cc3ccc(cc3)C(F)(F)F)C4CC4","InChI=1S/C19H18F3N3O/c1-11-10-25(14-7-8-14)18(26)17-16(11)15(24(2)23-17)9-12-3-5-13(6-4-12)19(20,21)22/h3-6,10,14H,7-9H2,1-2H3","","2024-09-10","2025-01-24","6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one","2025-01-29"],["YF6","N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide","C33 H37 N7 O3 S","c1c(NS(CC)(=O)=O)c4c(cc1C2=CN(C(C(=C2)NC3CCNCC3)=O)C)n(cc4)C(C)(c5ncccc5)c6ncccc6;CC[S](=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c3ccccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC6CCNCC6;CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C","InChI=1S/C33H37N7O3S/c1-4-44(42,43)38-27-19-23(24-20-28(32(41)39(3)22-24)37-25-11-16-34-17-12-25)21-29-26(27)13-18-40(29)33(2,30-9-5-7-14-35-30)31-10-6-8-15-36-31/h5-10,13-15,18-22,25,34,37-38H,4,11-12,16-17H2,1-3H3","","2020-07-30","2021-08-20","N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide","2021-08-25"],["A1A5Q","4,6-dicyclopropyl-3-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one","C20 H18 F4 N4 O","FC(F)(F)c1ccc(cc1F)Cc1n(C)nc2C(=O)N(N=C(c12)C1CC1)C1CC1;Cn1nc2C(=O)N(N=C(C3CC3)c2c1Cc4ccc(c(F)c4)C(F)(F)F)C5CC5;Cn1c(c2c(n1)C(=O)N(N=C2C3CC3)C4CC4)Cc5ccc(c(c5)F)C(F)(F)F","InChI=1S/C20H18F4N4O/c1-27-15(9-10-2-7-13(14(21)8-10)20(22,23)24)16-17(11-3-4-11)26-28(12-5-6-12)19(29)18(16)25-27/h2,7-8,11-12H,3-6,9H2,1H3","","2024-09-10","2024-12-27","4,6-dicyclopropyl-3-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one","2025-01-01"],["J11","N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine","C21 H30 F N5","Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(c3)F","InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m0/s1","N1-{(3'R,4'S)-4'-[(6\"-amino-4\"-methylpyridin-2\"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine\ntetrahydrochloride","2009-09-23","2020-06-17","N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine",""],["YF7","[(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid","C21 H18 Cl F N3 O3 P S","c1c(Cl)c(C)ccc1c2sc3c(c2)c(ncn3)NC(Cc4cccc(c4)F)P(O)(O)=O;Cc1ccc(cc1Cl)c2sc3ncnc(N[CH](Cc4cccc(F)c4)[P](O)(O)=O)c3c2;Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)NC(Cc4cccc(c4)F)P(=O)(O)O","InChI=1S/C21H18ClFN3O3PS/c1-12-5-6-14(9-17(12)22)18-10-16-20(24-11-25-21(16)31-18)26-19(30(27,28)29)8-13-3-2-4-15(23)7-13/h2-7,9-11,19H,8H2,1H3,(H,24,25,26)(H2,27,28,29)/t19-/m0/s1","","2018-11-29","2019-11-01","[(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid","2019-11-06"],["A1A5U","4-[2-(4-methylphenyl)-5-{[(3R)-pyrrolidin-3-yl]methoxy}pyridin-3-yl]benzonitrile","C24 H23 N3 O","N#Cc1ccc(cc1)c1cc(cnc1c1ccc(C)cc1)OCC1CCNC1;Cc1ccc(cc1)c2ncc(OC[CH]3CCNC3)cc2c4ccc(cc4)C#N;Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNC3)c4ccc(cc4)C#N","InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1","","2024-09-10","2025-09-12","4-[2-(4-methylphenyl)-5-{[(3R)-pyrrolidin-3-yl]methoxy}pyridin-3-yl]benzonitrile","2025-09-17"],["J12","N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE","C29 H43 N5 O8 S","O=C(Nc3cc(C(=O)NCCCN1CCN(CCCN)CC1)cc(OC2OC(CO)C(O)C(O)C2O)c3)Cc4sccc4;NCCCN1CCN(CCCNC(=O)c2cc(NC(=O)Cc3sccc3)cc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)c2)CC1;c1cc(sc1)CC(=O)Nc2cc(cc(c2)OC3C(C(C(C(O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN","InChI=1S/C29H43N5O8S/c30-5-2-7-33-9-11-34(12-10-33)8-3-6-31-28(40)19-14-20(32-24(36)17-22-4-1-13-43-22)16-21(15-19)41-29-27(39)26(38)25(37)23(18-35)42-29/h1,4,13-16,23,25-27,29,35,37-39H,2-3,5-12,17-18,30H2,(H,31,40)(H,32,36)/t23-,25+,26+,27-,29+/m1/s1","","2003-07-17","2011-06-04","N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-[(thiophen-2-ylacetyl)amino]benzamide",""],["J13","(1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate","C15 H26 N4 O7","C1(C(C(C(C(C1)O)O)O)C(=O)[O-])NC(=O)CCCCCCCN=[N+]=[N-];O[CH]1[CH](O)[CH](O)[CH]([CH](NC(=O)CCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O;C(CCCC(=O)NC1C(C(C(C(C1O)O)O)O)C(=O)O)CCCN=[N+]=[N-]","InChI=1S/C15H26N4O7/c16-19-17-7-5-3-1-2-4-6-8(20)18-10-9(15(25)26)11(21)13(23)14(24)12(10)22/h9-14,21-24H,1-7H2,(H,18,20)(H,25,26)/t9-,10+,11+,12-,13-,14-/m0/s1","","2016-03-22","2024-09-27","(1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate","2017-04-12"],["A1A5V","(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine","C19 H27 N7 O","COC1CCN(CC1)c1nccc(Nc2cc3n(c(C)cn3n2)C(C)C)n1;COC1CCN(CC1)c2nccc(Nc3cc4n(cc(C)n4C(C)C)n3)n2;Cc1cn2c(n1C(C)C)cc(n2)Nc3ccnc(n3)N4CCC(CC4)OC","InChI=1S/C19H27N7O/c1-13(2)26-14(3)12-25-18(26)11-17(23-25)21-16-5-8-20-19(22-16)24-9-6-15(27-4)7-10-24/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,20,21,22,23)","AUR-3418","2024-09-10","2025-02-28","(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine","2025-03-05"],["YF8","N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","C82 H104 Cl F3 N11 O11 S4","O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F;C[CH](NC(=O)[CH]1C[CH]([O])CN1C(=O)[CH](NC(=O)CCCCCCC(=O)N2CCN(CC2)C[C]3(C)CCC(=C(CN4CCN(CC4)c5ccc(cc5)C(=O)N[S](=O)(=O)c6ccc(N[CH](CCN7CCOCC7)CSc8ccccc8)c(c6)[S](=O)(=O)C(F)(F)F)C3)c9ccc(Cl)cc9)C(C)(C)C)c%10ccc(cc%10)c%11scnc%11C;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCC(=O)N4CCN(CC4)CC5(CCC(=C(C5)CN6CCN(CC6)c7ccc(cc7)C(=O)NS(=O)(=O)c8ccc(c(c8)S(=O)(=O)C(F)(F)F)NC(CCN9CCOCC9)CSc1ccccc1)c1ccc(cc1)Cl)C)[O]","InChI=1S/C82H105ClF3N11O11S4/c1-56(58-18-20-60(21-19-58)75-57(2)87-55-110-75)88-78(102)71-48-66(98)52-97(71)79(103)76(80(3,4)5)90-73(99)16-12-7-8-13-17-74(100)96-42-38-94(39-43-96)54-81(6)34-32-69(59-22-26-63(83)27-23-59)62(50-81)51-93-36-40-95(41-37-93)65-28-24-61(25-29-65)77(101)91-112(106,107)68-30-31-70(72(49-68)111(104,105)82(84,85)86)89-64(33-35-92-44-46-108-47-45-92)53-109-67-14-10-9-11-15-67/h9-11,14-15,18-31,49,55-56,64,66,71,76,89,98H,7-8,12-13,16-17,32-48,50-54H2,1-6H3,(H,88,102)(H,90,99)(H,91,101)/t56-,64+,66+,71-,76+,81+/m0/s1","","2023-01-26","2024-04-05","N-[8-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","2024-04-10"],["YF9","(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile","C19 H18 Cl N5 O3 S","O=S(=O)(N1Cc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1)C1COC1;Clc1cc2C[CH](Cc2c(c1)C#N)Nc3ncc4CN(Cc4n3)[S](=O)(=O)C5COC5;c1c(cc(c2c1CC(C2)Nc3ncc4c(n3)CN(C4)S(=O)(=O)C5COC5)C#N)Cl","InChI=1S/C19H18ClN5O3S/c20-14-1-11-3-15(4-17(11)12(2-14)5-21)23-19-22-6-13-7-25(8-18(13)24-19)29(26,27)16-9-28-10-16/h1-2,6,15-16H,3-4,7-10H2,(H,22,23,24)/t15-/m1/s1","","2023-06-13","2024-12-13","(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile","2024-12-18"],["J14","N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine","C21 H30 F N5","Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(c3)F","InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m1/s1","N1-{(3'S,4'R)-4'-[(6\"-amino-4\"-methylpyridin-2\"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride","2009-09-23","2021-03-13","N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine",""],["A1A5Y","(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid","C20 H23 F N2 O4","O=C1CCc2cc(c(F)cc2N1)C(=O)N1CC(CCC21CCCC2)C(=O)O;OC(=O)[CH]1CCC2(CCCC2)N(C1)C(=O)c3cc4CCC(=O)Nc4cc3F;c1c2c(cc(c1C(=O)N3CC(CCC34CCCC4)C(=O)O)F)NC(=O)CC2","InChI=1S/C20H23FN2O4/c21-15-10-16-12(3-4-17(24)22-16)9-14(15)18(25)23-11-13(19(26)27)5-8-20(23)6-1-2-7-20/h9-10,13H,1-8,11H2,(H,22,24)(H,26,27)/t13-/m1/s1","","2024-09-10","2025-06-06","(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid","2025-06-11"],["J15","N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-ALPHA-BENZAMIDE","C23 H37 N5 O9","[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCCN2CCN(CCCN)CC2)c3;NCCCN1CCN(CCCNC(=O)c2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc(c2)[N+]([O-])=O)CC1;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN","InChI=1S/C23H37N5O9/c24-3-1-5-26-7-9-27(10-8-26)6-2-4-25-22(33)15-11-16(28(34)35)13-17(12-15)36-23-21(32)20(31)19(30)18(14-29)37-23/h11-13,18-21,23,29-32H,1-10,14,24H2,(H,25,33)/t18-,19+,20+,21-,23+/m1/s1","","2003-07-17","2011-06-04","N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide",""],["YFA","(2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide","C31 H28 F N5 O2 S","C(C(N4C(c3c(c(c2ccc(C1CCN(C)CC1)cc2)ccc3N=C4)F)=O)c5ccccc5)(Nc6nccs6)=O;CN1CCC(CC1)c2ccc(cc2)c3ccc4N=CN([CH](C(=O)Nc5sccn5)c6ccccc6)C(=O)c4c3F;CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)C(c5ccccc5)C(=O)Nc6nccs6","InChI=1S/C31H28FN5O2S/c1-36-16-13-21(14-17-36)20-7-9-22(10-8-20)24-11-12-25-26(27(24)32)30(39)37(19-34-25)28(23-5-3-2-4-6-23)29(38)35-31-33-15-18-40-31/h2-12,15,18-19,21,28H,13-14,16-17H2,1H3,(H,33,35,38)/t28-/m1/s1","","2021-02-24","2022-02-18","(2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide","2022-02-23"],["J18","[(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol","C30 H33 F3 N2 O3 S","c5(c1c(c(C)ccc1)C)ccc(C2C(CO)N3CCCCN(CC23)S(c4c(C(F)(F)F)cccc4)(=O)=O)cc5;Cc1cccc(c1C)c2ccc(cc2)[CH]3[CH](CO)N4CCCCN(C[CH]34)[S](=O)(=O)c5ccccc5C(F)(F)F;Cc1cccc(c1C)c2ccc(cc2)C3C4CN(CCCCN4C3CO)S(=O)(=O)c5ccccc5C(F)(F)F","InChI=1S/C30H33F3N2O3S/c1-20-8-7-9-24(21(20)2)22-12-14-23(15-13-22)29-26-18-34(16-5-6-17-35(26)27(29)19-36)39(37,38)28-11-4-3-10-25(28)30(31,32)33/h3-4,7-15,26-27,29,36H,5-6,16-19H2,1-2H3/t26-,27+,29-/m0/s1","","2018-01-04","2019-03-29","[(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol","2019-04-03"],["A1A6A","(2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid","C24 H31 N3 O3","OC(=O)C(c1ccccc1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1;OC(=O)[CH](N1CC[CH](C1)OCCCCc2ccc3CCCNc3n2)c4ccccc4;c1ccc(cc1)C(C(=O)O)N2CCC(C2)OCCCCc3ccc4c(n3)NCCC4","InChI=1S/C24H31N3O3/c28-24(29)22(18-7-2-1-3-8-18)27-15-13-21(17-27)30-16-5-4-10-20-12-11-19-9-6-14-25-23(19)26-20/h1-3,7-8,11-12,21-22H,4-6,9-10,13-17H2,(H,25,26)(H,28,29)/t21?,22-/m0/s1","","2024-09-11","2024-11-08","(2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid","2024-11-13"],["YFB","AMORFRUTIN B","C26 H32 O4","O=C(O)c1c(cc(OC)c(c1O)C/C=C(C)CCC=C(/C)C)CCc2ccccc2;COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1CC=C(C)CCC=C(C)C;CC(=CCCC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C)C","InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+","","2011-10-20","2014-09-05","3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid","2012-09-28"],["YFC","2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione","C24 H21 N O5 S","Cc1ccc(cc1)C(=O)CN2C(=O)CSc3ccc(cc23)[C](O)=[C]4C(=O)C[CH2]CC4=O;Cc1ccc(cc1)C(=O)CN2c3cc(ccc3SCC2=O)C(=C4C(=O)CCCC4=O)O","InChI=1S/C24H21NO5S/c1-14-5-7-15(8-6-14)20(28)12-25-17-11-16(9-10-21(17)31-13-22(25)29)24(30)23-18(26)3-2-4-19(23)27/h5-11,30H,2-4,12-13H2,1H3","","2023-11-30","2024-11-15","2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione","2024-11-20"],["A1A6B","(2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid","C27 H35 N3 O3","OC(=O)C(c1ccccc1C1CC1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1;OC(=O)[CH](N1CC[CH](C1)OCCCCc2ccc3CCCNc3n2)c4ccccc4C5CC5;c1ccc(c(c1)C2CC2)C(C(=O)O)N3CCC(C3)OCCCCc4ccc5c(n4)NCCC5","InChI=1S/C27H35N3O3/c31-27(32)25(24-9-2-1-8-23(24)19-10-11-19)30-16-14-22(18-30)33-17-4-3-7-21-13-12-20-6-5-15-28-26(20)29-21/h1-2,8-9,12-13,19,22,25H,3-7,10-11,14-18H2,(H,28,29)(H,31,32)/t22-,25+/m1/s1","","2024-09-11","2024-11-08","(2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid","2024-11-13"],["J19","(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one","C17 H13 Cl N2 O3 S","Clc3ccccc3N=C1/S/C(C(=O)N1)=Cc2ccc(O)c(OC)c2;COc1cc(ccc1O)C=C2SC(NC2=O)=Nc3ccccc3Cl;COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2","InChI=1S/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)/b15-9-","","2012-04-27","2012-08-03","(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one",""],["YFD","AMORFRUTIN 2","C18 H26 O4","O=C(O)c1c(cc(OC)c(c1O)C/C=C(C)C)CCCCC;CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O;CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC","InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21)","","2011-10-20","2014-09-05","2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-pentylbenzoic acid","2012-09-28"],["A1A6E","3-{(R)-amino[6-(trifluoromethyl)pyridin-3-yl]methyl}-4-cyclopropyl-6-ethyl-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one","C19 H20 F3 N5 O","FC(F)(F)c1ccc(cn1)C(N)c1c2C(=CN(CC)C(=O)c2nn1C)C1CC1;CCN1C=C(C2CC2)c3c([CH](N)c4ccc(nc4)C(F)(F)F)n(C)nc3C1=O;CCN1C=C(c2c(nn(c2C(c3ccc(nc3)C(F)(F)F)N)C)C1=O)C4CC4","InChI=1S/C19H20F3N5O/c1-3-27-9-12(10-4-5-10)14-16(18(27)28)25-26(2)17(14)15(23)11-6-7-13(24-8-11)19(20,21)22/h6-10,15H,3-5,23H2,1-2H3/t15-/m1/s1","","2024-09-12","2024-12-27","3-{(R)-amino[6-(trifluoromethyl)pyridin-3-yl]methyl}-4-cyclopropyl-6-ethyl-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one","2025-01-01"],["J1A","5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine","C24 H32 N12 O4 S","O=C2NC(=Nc1ncc(nc12)CNCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)N;NC1=Nc2ncc(CNCCN3CCC(CC3)SC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)nc2C(=O)N1;c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/t14-,17-,18-,23-/m1/s1","","2011-11-11","2011-12-30","5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine",""],["J1B","5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine","C26 H38 N12 O4 S","O=C2NC(=NC=1NC(C(=NC=12)CNCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)(C)C)N;CC1(C)NC2=C(N=C1CNCCN3CCC(CC3)SC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)C","InChI=1S/C26H38N12O4S/c1-26(2)15(33-17-21(36-26)34-25(28)35-23(17)41)9-29-5-8-37-6-3-13(4-7-37)43-10-14-18(39)19(40)24(42-14)38-12-32-16-20(27)30-11-31-22(16)38/h11-14,18-19,24,29,39-40H,3-10H2,1-2H3,(H2,27,30,31)(H4,28,34,35,36,41)/t14-,18-,19-,24-/m1/s1","","2011-11-11","2011-12-30","5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine",""],["A1A6F","(8R)-3-(1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine","C13 H8 N4 S","c1cccc2sc(nc12)c1cnn2cccnc21;s1c2ccccc2nc1c3cnn4cccnc34;c1ccc2c(c1)nc(s2)c3cnn4c3nccc4","InChI=1S/C13H8N4S/c1-2-5-11-10(4-1)16-13(18-11)9-8-15-17-7-3-6-14-12(9)17/h1-8H","","2024-09-12","2025-09-12","(8R)-3-(1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine","2025-09-17"],["YFE","Amorfrutin 1","C21 H24 O4","O=C(O)c1c(cc(OC)c(c1O)CC=C(/C)C)CCc2ccccc2;COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1CC=C(C)C;CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C","InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24)","","2011-04-05","2012-04-06","2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-(2-phenylethyl)benzoic acid",""],["J1C","5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine","C26 H36 N12 O5 S","O=C2NC(=NC=1NC(C(=NC=12)C(=O)NCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)(C)C)N;CC1(C)NC2=C(N=C1C(=O)NCCN3CCC(CC3)SC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)C","InChI=1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,16-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H4,28,34,35,36,41)/t13-,16-,17-,24-/m1/s1","","2011-11-11","2011-12-30","5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine",""],["YFF","2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid","C15 H19 F N4 O4","FCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O;NC(=O)[CH](CCCNC(=N)CF)NC(=O)c1ccccc1C(O)=O;c1ccc(c(c1)C(=O)NC(CCCNC(=N)CF)C(=O)N)C(=O)O","InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1","o-F-amidine","2011-08-16","2024-09-27","2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid",""],["J1D","5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine","C23 H30 N12 O8 S","O=C2NC(=NC=1NC(C(=NC=12)C(=O)NCC(=O)NCCS(=O)(=O)CC5OC(n4cnc3c(ncnc34)N)C(O)C5O)(C)C)N;CC1(C)NC2=C(N=C1C(=O)NCC(=O)NCC[S](=O)(=O)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C","InChI=1S/C23H30N12O8S/c1-23(2)15(31-12-17(34-23)32-22(25)33-19(12)39)20(40)27-5-10(36)26-3-4-44(41,42)6-9-13(37)14(38)21(43-9)35-8-30-11-16(24)28-7-29-18(11)35/h7-9,13-14,21,37-38H,3-6H2,1-2H3,(H,26,36)(H,27,40)(H2,24,28,29)(H4,25,32,33,34,39)/t9-,13-,14-,21-/m1/s1","","2012-05-23","2012-07-06","5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine",""],["YFG","7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one","C20 H26 F N3 O2 S","C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)NC4CCCC4)O;O[CH]1CC[CH](CC1)SCC2=Nc3cc(NC4CCCC4)cc(F)c3C(=O)N2;c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4","InChI=1S/C20H26FN3O2S/c21-16-9-13(22-12-3-1-2-4-12)10-17-19(16)20(26)24-18(23-17)11-27-15-7-5-14(25)6-8-15/h9-10,12,14-15,22,25H,1-8,11H2,(H,23,24,26)/t14-,15-","","2021-02-24","2021-04-16","7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one","2021-04-21"],["J1E","(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol","C25 H26 F2 N6 O5 S","OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5;c1cc(cc(c1)F)c2cn(nn2)CC(CSC3C(C(C(C(O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O","InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21+,22-,23-,24+,25-/m0/s1","","2019-01-11","2019-01-18","(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol","2019-01-23"],["YFH","N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","C83 H105 Cl F3 N13 O11 S4","O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CC2CC1CO2)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CN1CCN(CC1)CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F;C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)CN2CCN(CC2)CC(=O)N3CCN(CC3)C[C]4(C)CCC(=C(CN5CCN(CC5)c6ccc(cc6)C(=O)N[S](=O)(=O)c7ccc(N[CH](CCN8C[CH]9C[CH]8CO9)CSc%10ccccc%10)c(c7)[S](=O)(=O)C(F)(F)F)C4)c%11ccc(Cl)cc%11)C(C)(C)C)c%12ccc(cc%12)c%13scnc%13C;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CN4CCN(CC4)CC(=O)N5CCN(CC5)CC6(CCC(=C(C6)CN7CCN(CC7)c8ccc(cc8)C(=O)NS(=O)(=O)c9ccc(c(c9)S(=O)(=O)C(F)(F)F)NC(CCN1CC2CC1CO2)CSc1ccccc1)c1ccc(cc1)Cl)C)O","InChI=1S/C83H105ClF3N13O11S4/c1-55(57-12-14-59(15-13-57)76-56(2)88-54-113-76)89-79(105)72-43-66(101)47-100(72)80(106)77(81(3,4)5)91-74(102)49-94-30-32-95(33-31-94)50-75(103)98-40-36-96(37-41-98)53-82(6)28-26-70(58-16-20-62(84)21-17-58)61(45-82)46-93-34-38-97(39-35-93)64-22-18-60(19-23-64)78(104)92-115(109,110)69-24-25-71(73(44-69)114(107,108)83(85,86)87)90-63(52-112-68-10-8-7-9-11-68)27-29-99-48-67-42-65(99)51-111-67/h7-25,44,54-55,63,65-67,72,77,90,101H,26-43,45-53H2,1-6H3,(H,89,105)(H,91,102)(H,92,104)/t55-,63+,65+,66-,67+,72-,77+,82+/m0/s1","","2023-01-26","2024-04-05","N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","2024-04-10"],["A1A6U","(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol","C12 H16 N4 O2","OCC(O)C1CCCN1c1ncnc2[NH]ccc12;OC[CH](O)[CH]1CCCN1c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCC3C(CO)O","InChI=1S/C12H16N4O2/c17-6-10(18)9-2-1-5-16(9)12-8-3-4-13-11(8)14-7-15-12/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,13,14,15)/t9-,10+/m1/s1","","2024-09-16","2025-06-06","(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol","2025-06-11"],["J1F","((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid","C24 H32 N13 O10 P","C(N(CC(NCC3C(C(C(n2cnc1c(ncnc12)N)O3)O)O)=O)C(=O)CNC(C=5C(C)(C)NC4=C(C(=O)NC(=N4)N)N=5)=O)P(O)(O)=O;CC1(C)NC2=C(N=C1C(=O)NCC(=O)N(CC(=O)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C[P](O)(O)=O)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C","InChI=1S/C24H32N13O10P/c1-24(2)16(32-13-18(35-24)33-23(26)34-20(13)42)21(43)28-4-11(39)36(8-48(44,45)46)5-10(38)27-3-9-14(40)15(41)22(47-9)37-7-31-12-17(25)29-6-30-19(12)37/h6-7,9,14-15,22,40-41H,3-5,8H2,1-2H3,(H,27,38)(H,28,43)(H2,25,29,30)(H2,44,45,46)(H4,26,33,34,35,42)/t9-,14-,15-,22-/m1/s1","5'-{[N-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)glycyl-N-(phosphonomethyl)glycyl]amino}-5'-deoxyadenosine","2017-08-17","2021-03-13","5'-{[N-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)glycyl-N-(phosphonomethyl)glycyl]amino}-5'-deoxyadenosine","2018-08-15"],["YFI","(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile","C17 H16 Cl N5 O2 S","Clc1cc2CC(Cc2c(C#N)c1)Nc1ncc2CN(Cc2n1)S(C)(=O)=O;C[S](=O)(=O)N1Cc2cnc(N[CH]3Cc4cc(Cl)cc(C#N)c4C3)nc2C1;CS(=O)(=O)N1Cc2cnc(nc2C1)NC3Cc4cc(cc(c4C3)C#N)Cl","InChI=1S/C17H16ClN5O2S/c1-26(24,25)23-8-12-7-20-17(22-16(12)9-23)21-14-4-10-2-13(18)3-11(6-19)15(10)5-14/h2-3,7,14H,4-5,8-9H2,1H3,(H,20,21,22)/t14-/m1/s1","","2023-06-13","2024-12-13","(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile","2024-12-18"],["J1G","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide","C20 H19 F3 N2 O3","N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(=O)C3CCCC3;ONC(=O)[CH](NC(=O)C1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C3CCCC3","InChI=1S/C20H19F3N2O3/c21-15-9-14(10-16(22)17(15)23)11-5-7-12(8-6-11)18(20(27)25-28)24-19(26)13-3-1-2-4-13/h5-10,13,18,28H,1-4H2,(H,24,26)(H,25,27)/t18-/m1/s1","","2018-08-03","2018-12-21","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide","2018-12-26"],["A1A6Y","(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol","C12 H13 N5 O S","OCC(Nc1ncnc2[NH]ccc12)Cc1cncs1;OC[CH](Cc1scnc1)Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC(Cc3cncs3)CO","InChI=1S/C12H13N5OS/c18-5-8(3-9-4-13-7-19-9)17-12-10-1-2-14-11(10)15-6-16-12/h1-2,4,6-8,18H,3,5H2,(H2,14,15,16,17)/t8-/m0/s1","","2024-09-16","2025-06-06","(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol","2025-06-11"],["YFJ","8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one","C16 H13 N3 O","O=C1NCCc2c1[nH]c3c2cccc3c4ccncc4;c1cc2c3c([nH]c2c(c1)c4ccncc4)C(=O)NCC3","InChI=1S/C16H13N3O/c20-16-15-13(6-9-18-16)12-3-1-2-11(14(12)19-15)10-4-7-17-8-5-10/h1-5,7-8,19H,6,9H2,(H,18,20)","","2023-12-04","2024-09-27","8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one","2024-10-02"],["A1A6Z","[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol","C13 H18 N4 O","OCC1CC(C)(C)CN1c1ncnc2[NH]ccc12;CC1(C)C[CH](CO)N(C1)c2ncnc3[nH]ccc23;CC1(CC(N(C1)c2c3cc[nH]c3ncn2)CO)C","InChI=1S/C13H18N4O/c1-13(2)5-9(6-18)17(7-13)12-10-3-4-14-11(10)15-8-16-12/h3-4,8-9,18H,5-7H2,1-2H3,(H,14,15,16)/t9-/m0/s1","","2024-09-16","2025-06-06","[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol","2025-06-11"],["J1H","[(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium","C44 H48 Cl N6 O7 S2","C[N+](C)(CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6)CC(O)=O;C[N+](C)(CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O","InChI=1S/C44H47ClN6O7S2/c1-51(2,30-43(52)53)27-22-36(31-59-38-9-4-3-5-10-38)46-41-21-20-39(28-42(41)50(55)56)60(57,58)47-44(54)33-14-18-37(19-15-33)49-25-23-48(24-26-49)29-34-8-6-7-11-40(34)32-12-16-35(45)17-13-32/h3-21,28,36,46H,22-27,29-31H2,1-2H3,(H-,47,52,53,54)/p+1/t36-/m1/s1","","2019-01-11","2019-06-07","[(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium","2019-06-12"],["YFK","4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide","C24 H32 N4 O4","COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=C;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=C;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=C)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H32N4O4/c1-5-16(12-15-9-10-25-22(15)29)26-23(30)19(11-14(2)3)28-24(31)20-13-17-18(27-20)7-6-8-21(17)32-4/h5-8,13-16,19,27H,1,9-12H2,2-4H3,(H,25,29)(H,26,30)(H,28,31)/t15-,16+,19-/m0/s1","","2023-01-26","2023-08-25","4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide","2023-08-30"],["J1I","5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine","C24 H35 N12 O8 P S","NC=1NC(=O)C=2N=C(C(C)(NC=2N=1)C)C(=O)NCCN(CCSCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CP(O)(O)=O;CC1(C)NC2=C(N=C1C(=O)NCCN(CCSC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C[P](O)(O)=O)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C","InChI=1S/C24H35N12O8PS/c1-24(2)16(31-13-18(34-24)32-23(26)33-20(13)39)21(40)27-3-4-35(10-45(41,42)43)5-6-46-7-11-14(37)15(38)22(44-11)36-9-30-12-17(25)28-8-29-19(12)36/h8-9,11,14-15,22,37-38H,3-7,10H2,1-2H3,(H,27,40)(H2,25,28,29)(H2,41,42,43)(H4,26,32,33,34,39)/t11-,14-,15-,22-/m1/s1","(((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)ethyl)(2-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)ethyl)amino)methyl)phosphonic acid","2017-08-17","2021-03-13","5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine","2018-08-15"],["YFL","N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide","C24 H31 N5 O","CC(C)c1ccc(cc1)Nc1ccc(cn1)CN(CCCCn1ccnc1)C(C)=O;CC(C)c1ccc(Nc2ccc(CN(CCCCn3ccnc3)C(C)=O)cn2)cc1;CC(C)c1ccc(cc1)Nc2ccc(cn2)CN(CCCCn3ccnc3)C(=O)C","InChI=1S/C24H31N5O/c1-19(2)22-7-9-23(10-8-22)27-24-11-6-21(16-26-24)17-29(20(3)30)14-5-4-13-28-15-12-25-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,26,27)","","2023-06-13","2024-12-13","N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide","2024-12-18"],["A1A7A","(2R)-2-[(8-amino-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylbutan-1-ol","C15 H19 N5 O","CC(C)C(CO)Nc1ncnc2[NH]c3c(cccc3N)c12;CC(C)[CH](CO)Nc1ncnc2[nH]c3c(N)cccc3c12;CC(C)C(CO)Nc1c2c3cccc(c3[nH]c2ncn1)N","InChI=1S/C15H19N5O/c1-8(2)11(6-21)19-14-12-9-4-3-5-10(16)13(9)20-15(12)18-7-17-14/h3-5,7-8,11,21H,6,16H2,1-2H3,(H2,17,18,19,20)/t11-/m0/s1","","2024-09-17","2025-08-15","(2R)-2-[(8-amino-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylbutan-1-ol","2025-08-20"],["YFM","7-[[2,6-bis(oxidanylidene)cyclohexylidene]-oxidanyl-methyl]-1,6-dimethyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione","C26 H23 F3 N2 O6","CN1C(=O)CN(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3c(C)c(ccc13)[C](O)=[C]4C(=O)C[CH2]CC4=O;Cc1c(ccc2c1C(=O)N(CC(=O)N2C)Cc3ccc(cc3)OC(F)(F)F)C(=C4C(=O)CCCC4=O)O","InChI=1S/C26H23F3N2O6/c1-14-17(24(35)23-19(32)4-3-5-20(23)33)10-11-18-22(14)25(36)31(13-21(34)30(18)2)12-15-6-8-16(9-7-15)37-26(27,28)29/h6-11,35H,3-5,12-13H2,1-2H3","","2023-11-30","2024-11-22","7-[[2,6-bis(oxidanylidene)cyclohexylidene]-oxidanyl-methyl]-1,6-dimethyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione","2024-11-27"],["A1A7B","(5S)-1-[(9H-pyrimido[4,5-b]indol-4-yl)amino]-5-(thiophen-2-yl)pyrrolidin-2-one","C18 H15 N5 O S","O=C1CCC(N1Nc1ncnc2[NH]c3ccccc3c21)c1cccs1;O=C1CC[CH](N1Nc2ncnc3[nH]c4ccccc4c23)c5sccc5;c1ccc2c(c1)c3c([nH]2)ncnc3NN4C(CCC4=O)c5cccs5","InChI=1S/C18H15N5OS/c24-15-8-7-13(14-6-3-9-25-14)23(15)22-18-16-11-4-1-2-5-12(11)21-17(16)19-10-20-18/h1-6,9-10,13H,7-8H2,(H2,19,20,21,22)/t13-/m0/s1","","2024-09-17","2025-08-15","(5S)-1-[(9H-pyrimido[4,5-b]indol-4-yl)amino]-5-(thiophen-2-yl)pyrrolidin-2-one","2025-08-20"],["J1J","N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","C25 H30 N6 O4","O=C(NCCCCC/N=C(N)N)C(NC(=O)c2ccc1c(C(O)=CC(=O)N1)c2)Cc3ccccc3;NC(N)=NCCCCCNC(=O)[CH](Cc1ccccc1)NC(=O)c2ccc3NC(=O)C=C(O)c3c2;c1ccc(cc1)CC(C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O","InChI=1S/C25H30N6O4/c26-25(27)29-12-6-2-5-11-28-24(35)20(13-16-7-3-1-4-8-16)31-23(34)17-9-10-19-18(14-17)21(32)15-22(33)30-19/h1,3-4,7-10,14-15,20H,2,5-6,11-13H2,(H,28,35)(H,31,34)(H4,26,27,29)(H2,30,32,33)/t20-/m0/s1","","2014-11-20","2016-01-15","N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","2016-01-20"],["J1K","4-(2-hydroxyethylcarbamoyl)benzoic acid","C10 H11 N O4","OCCNC(=O)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)NCCO)C(=O)O","InChI=1S/C10H11NO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)","","2019-01-11","2019-03-29","4-(2-hydroxyethylcarbamoyl)benzoic acid","2019-04-03"],["A1A7E","(5S)-1-[(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one","C16 H14 Cl N5 O","Clc1cc2c(ncnc2[NH]1)NN1C(=O)CCC1c1ccccc1;Clc1[nH]c2ncnc(NN3[CH](CCC3=O)c4ccccc4)c2c1;c1ccc(cc1)C2CCC(=O)N2Nc3c4cc([nH]c4ncn3)Cl","InChI=1S/C16H14ClN5O/c17-13-8-11-15(20-13)18-9-19-16(11)21-22-12(6-7-14(22)23)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H2,18,19,20,21)/t12-/m0/s1","","2024-09-17","2025-08-15","(5S)-1-[(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one","2025-08-20"],["YFN","N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide","C9 H15 N O3 S","O=S1(=O)CCC(C)(NC(=O)C2CC2)C1;C[C]1(CC[S](=O)(=O)C1)NC(=O)C2CC2;CC1(CCS(=O)(=O)C1)NC(=O)C2CC2","InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m0/s1","","2023-01-26","2023-02-10","N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide","2023-02-15"],["J1L","5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine","C27 H36 N12 O9 S","C(O)(C4CC(S(CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)(=O)=O)CCN4CCNC(C=6C(C)(C)NC=5N=C(NC(C=5N=6)=O)N)=O)=O;CC1(C)NC2=C(N=C1C(=O)NCCN3CC[CH](C[CH]3C(O)=O)[S](=O)(=O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3C(=O)O)S(=O)(=O)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)C","InChI=1S/C27H36N12O9S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)49(46,47)8-13-16(40)17(41)24(48-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1","","2020-10-09","2020-11-27","5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine","2020-12-02"],["YFO","2-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine","C16 H18 Cl N O2 S","CC(C)(C)c1cc(cc(n1)c1ccc(Cl)cc1)S(C)(=O)=O;CC(C)(C)c1cc(cc(n1)c2ccc(Cl)cc2)[S](C)(=O)=O;CC(C)(C)c1cc(cc(n1)c2ccc(cc2)Cl)S(=O)(=O)C","InChI=1S/C16H18ClNO2S/c1-16(2,3)15-10-13(21(4,19)20)9-14(18-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3","","2023-06-13","2024-12-13","2-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine","2024-12-18"],["A1A7F","(5S)-1-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one","C16 H14 Br N5 O","Brc1cc2c(ncnc2[NH]1)NN1C(=O)CCC1c1ccccc1;Brc1[nH]c2ncnc(NN3[CH](CCC3=O)c4ccccc4)c2c1;c1ccc(cc1)C2CCC(=O)N2Nc3c4cc([nH]c4ncn3)Br","InChI=1S/C16H14BrN5O/c17-13-8-11-15(20-13)18-9-19-16(11)21-22-12(6-7-14(22)23)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H2,18,19,20,21)/t12-/m0/s1","","2024-09-17","2025-08-15","(5S)-1-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one","2025-08-20"],["YFP","1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol","C40 H77 O10 P","O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC(O)CO)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/t37?,38-/m1/s1","","2021-02-25","2021-07-23","(19R,22R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl octadec-9-enoate","2021-07-28"],["A1A7Q","N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{(3M)-3-[2-chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}urea","C31 H33 Cl N8 O2","CC(C)(C)c1cc(NC(=O)Nc2cccc(c2)c2c[NH]c3nc(Cl)nc(N4CCOCC4)c23)n(n1)c1ccc(C)cc1;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3cccc(c3)c4c[nH]c5nc(Cl)nc(N6CCOCC6)c45)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)c4c[nH]c5c4c(nc(n5)Cl)N6CCOCC6","InChI=1S/C31H33ClN8O2/c1-19-8-10-22(11-9-19)40-25(17-24(38-40)31(2,3)4)35-30(41)34-21-7-5-6-20(16-21)23-18-33-27-26(23)28(37-29(32)36-27)39-12-14-42-15-13-39/h5-11,16-18H,12-15H2,1-4H3,(H,33,36,37)(H2,34,35,41)","","2024-09-17","2025-06-13","N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{(3M)-3-[2-chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}urea","2025-06-18"],["J1M","(2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C24 H26 N2 O6 S","c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(NO)=O)(C)S(C)(=O)=O)C(C=3)=O;C[C](CCN1C=CC(=CC1=O)c2ccc(OCc3ccccc3)cc2)(C(=O)NO)[S](C)(=O)=O;CC(CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m0/s1","","2018-08-03","2019-06-21","(2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2019-06-26"],["YFQ","beta-N-methylamino-L-alanine","C4 H10 N2 O2","CNC[CH](N)C(O)=O;CNCC(C(=O)O)N","InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1","(2S)-2-azanyl-3-(methylamino)propanoic acid; L-Bmaa; 3-(methylamino)-L-alanine","2023-12-04","2024-09-27","(2~{S})-2-azanyl-3-(methylamino)propanoic acid","2024-07-24"],["J1N","2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid","C17 H17 N3 O3 S","CCc1sc2ncnc(N[CH](CO)C(O)=O)c2c1c3ccccc3;CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3","InChI=1S/C17H17N3O3S/c1-2-12-13(10-6-4-3-5-7-10)14-15(18-9-19-16(14)24-12)20-11(8-21)17(22)23/h3-7,9,11,21H,2,8H2,1H3,(H,22,23)(H,18,19,20)/t11-/m1/s1","","2019-01-11","2019-06-07","2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid","2019-06-12"],["A1A7S","S-{2-[(N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl)amino]ethyl} 2-hydroxybenzene-1-carbothioate","C18 H27 N2 O9 P S","Oc1ccccc1C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O","InChI=1S/C18H27N2O9PS/c1-18(2,11-29-30(26,27)28)15(23)16(24)20-8-7-14(22)19-9-10-31-17(25)12-5-3-4-6-13(12)21/h3-6,15,21,23H,7-11H2,1-2H3,(H,19,22)(H,20,24)(H2,26,27,28)/t15-/m0/s1","","2024-09-17","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 2-hydroxybenzene-1-carbothioate","2024-09-25"],["YFR","6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one","C10 H9 Br O4","Brc1cc2C(=O)OC(C)(C)Oc2cc1O;CC1(C)OC(=O)c2cc(Br)c(O)cc2O1;CC1(Oc2cc(c(cc2C(=O)O1)Br)O)C","InChI=1S/C10H9BrO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3","","2023-01-26","2023-02-10","6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one","2023-02-15"],["J1O","4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid","C10 H20 N O8 P","CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCCC(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCCC(=O)O)O","InChI=1S/C10H20NO8P/c1-10(2,6-19-20(16,17)18)8(14)9(15)11-5-3-4-7(12)13/h8,14H,3-6H2,1-2H3,(H,11,15)(H,12,13)(H2,16,17,18)/t8-/m0/s1","","2021-03-19","2021-11-19","4-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid","2021-11-24"],["J1Q","1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide","C30 H39 N5 O2","CCCCN(CCCC)C(=O)c1cc(C)n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[CH]3CN;CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4CC3CN)C","InChI=1S/C30H39N5O2/c1-4-6-16-33(17-7-5-2)30(37)27-18-22(3)35(32-27)28-15-11-10-14-26(28)29(36)34-21-24-13-9-8-12-23(24)19-25(34)20-31/h8-15,18,25H,4-7,16-17,19-21,31H2,1-3H3/t25-/m0/s1","","2019-01-11","2019-06-07","1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide","2019-06-12"],["YFS","N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide","C16 H21 N3 O3","c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2;COc1cc(NC(=O)[CH](N)CC(C)C)ccc1c2ocnc2;CC(C)CC(C(=O)Nc1ccc(c(c1)OC)c2cnco2)N","InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1","","2021-02-26","2021-07-23","N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide","2021-07-28"],["YFT","[3-fluoro-4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate","C22 H21 F4 N5 O5","FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1;OC1(CCN(CC1)C(=O)OCc2ccc(OC(F)(F)F)c(F)c2)CNC(=O)c3ccc4[nH]nnc4c3;c1cc(c(cc1COC(=O)N2CCC(CC2)(CNC(=O)c3ccc4c(c3)nn[nH]4)O)F)OC(F)(F)F","InChI=1S/C22H21F4N5O5/c23-15-9-13(1-4-18(15)36-22(24,25)26)11-35-20(33)31-7-5-21(34,6-8-31)12-27-19(32)14-2-3-16-17(10-14)29-30-28-16/h1-4,9-10,34H,5-8,11-12H2,(H,27,32)(H,28,29,30)","","2023-06-13","2024-12-13","[3-fluoro-4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate","2024-12-18"],["A1A7Y","9-cyclopentyl-9H-purin-6-amine","C10 H13 N5","Nc1ncnc2c1ncn2C1CCCC1;Nc1ncnc2n(cnc12)C3CCCC3;c1nc(c2c(n1)n(cn2)C3CCCC3)N","InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)","","2024-09-17","2025-02-14","9-cyclopentyl-9H-purin-6-amine","2025-02-19"],["J1R","(1R,19R) cobalt tetradehydrocorrin","C33 H37 Co N4 O4","CC1=C(C)[C]2(C)N|3=C1C=C4N|5=C(C=c6n7[Co+]|3|5|N8=C(C=c7c(C)c6CCC(O)=O)C(=C(C)[C]28C)C)C(=C4C)CCC(O)=O;CC1=C(C2(C3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C","InChI=1S/C33H38N4O4.Co/c1-16-20(5)32(7)33(8)21(6)17(2)27(37-33)14-25-19(4)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)18(3)24(34-28)13-26(16)36-32;/h13-15H,9-12H2,1-8H3,(H3,34,35,36,37,38,39,40,41);/q;+2/p-1/t32-,33-;/m1./s1","","2014-06-19","2014-11-28","","2014-12-03"],["J1S","(1S,19S) cobalt tetradehydrocorrin","C33 H37 Co N4 O4","CC1=C(C)[C]2(C)N|3=C1C=C4N|5=C(C=c6n7[Co+]|3|5|N8=C(C=c7c(C)c6CCC(O)=O)C(=C(C)[C]28C)C)C(=C4C)CCC(O)=O;CC1=C(C2(C3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C","InChI=1S/C33H38N4O4.Co/c1-16-20(5)32(7)33(8)21(6)17(2)27(37-33)14-25-19(4)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)18(3)24(34-28)13-26(16)36-32;/h13-15H,9-12H2,1-8H3,(H3,34,35,36,37,38,39,40,41);/q;+2/p-1/t32-,33-;/m0./s1","","2014-06-19","2014-11-28","","2014-12-03"],["YFU","1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one","C32 H40 N4 O4","CCN1CCN(CC(=O)[CH]2Cc3ccccc3CN2)C(=O)c4ccc(cc14)C(=O)N5CCC6(CC5)CC(C6)OC;CCN1CCN(C(=O)c2c1cc(cc2)C(=O)N3CCC4(CC3)CC(C4)OC)CC(=O)C5Cc6ccccc6CN5","InChI=1S/C32H40N4O4/c1-3-34-14-15-36(21-29(37)27-16-22-6-4-5-7-24(22)20-33-27)31(39)26-9-8-23(17-28(26)34)30(38)35-12-10-32(11-13-35)18-25(19-32)40-2/h4-9,17,25,27,33H,3,10-16,18-21H2,1-2H3/t27-/m0/s1","","2023-11-30","2025-02-21","1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one","2025-02-26"],["A1A88","(2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C17 H17 N5 O","OCC(Cc1c[NH]c2ccccc21)Nc1ncnc2[NH]ccc21;OC[CH](Cc1c[nH]c2ccccc12)Nc3ncnc4[nH]ccc34;c1ccc2c(c1)c(c[nH]2)CC(CO)Nc3c4cc[nH]c4ncn3","InChI=1S/C17H17N5O/c23-9-12(7-11-8-19-15-4-2-1-3-13(11)15)22-17-14-5-6-18-16(14)20-10-21-17/h1-6,8,10,12,19,23H,7,9H2,(H2,18,20,21,22)/t12-/m0/s1","","2024-09-22","2025-06-06","(2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["YFV","5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine","C23 H28 N8 S","c3(c1n(ccc1CN2CCC(CC2)N)ncn3)Nc4cccc(c4)c5sc(C(C)C)nn5;CC(C)c1sc(nn1)c2cccc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)c2;CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N","InChI=1S/C23H28N8S/c1-15(2)22-28-29-23(32-22)16-4-3-5-19(12-16)27-21-20-17(6-11-31(20)26-14-25-21)13-30-9-7-18(24)8-10-30/h3-6,11-12,14-15,18H,7-10,13,24H2,1-2H3,(H,25,26,27)","","2021-02-26","2021-07-23","5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine","2021-07-28"],["J1T","4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide","C48 H51 F3 N4 O9 S3","COc1cc2OCOc2cc1[CH](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)N[S](=O)(=O)c6ccc(N[CH](CCN7CCOCC7)CSc8ccccc8)c(c6)[S](=O)(=O)C(F)(F)F;COc1cc2c(cc1C(CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)NC(CCN7CCOCC7)CSc8ccccc8)OCO2","InChI=1S/C48H51F3N4O9S3/c1-61-43-29-45-44(63-32-64-45)28-40(43)41(30-55-20-5-6-21-55)35-13-9-33(10-14-35)34-11-15-36(16-12-34)47(56)53-67(59,60)39-17-18-42(46(27-39)66(57,58)48(49,50)51)52-37(19-22-54-23-25-62-26-24-54)31-65-38-7-3-2-4-8-38/h2-4,7-18,27-29,37,41,52H,5-6,19-26,30-32H2,1H3,(H,53,56)/t37-,41-/m1/s1","","2019-01-11","2019-06-07","4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide","2019-06-12"],["A1A8B","(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate","C90 H105 O39 P","CCCCCCCCC(C)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O;[C][C][C][C][C][C][C][C][C][C][C]CCCCC(=O)OCC(CO[P](O)(=O)O[CH]1[CH](O[CH]2O[CH](CO[CH]3O[CH](CO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH](O)[CH]1O[CH]6O[CH](COC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]6O)OC(=O)[C][C][C][C][C][C][C][C][C]([C])[C][C][C][C][C][C][C][C];CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(=O)CCCC[C][C][C][C][C][C][C][C][C][C][C])OC(=O)[C][C][C][C][C][C][C][C][C]([C])[C][C][C][C][C][C][C][C])OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O","InChI=1S/C90H165O39P/c1-5-8-11-14-17-19-21-23-25-27-29-35-40-45-62(93)115-50-56(120-64(95)47-42-37-32-31-34-39-44-55(4)43-38-33-16-13-10-7-3)51-119-130(113,114)129-85-82(126-88-80(111)72(103)67(98)59(124-88)52-116-63(94)46-41-36-30-28-26-24-22-20-18-15-12-9-6-2)76(107)74(105)77(108)83(85)127-89-81(112)73(104)69(100)61(125-89)53-117-86-78(109)71(102)68(99)60(123-86)54-118-90-84(75(106)66(97)58(49-92)122-90)128-87-79(110)70(101)65(96)57(48-91)121-87/h55-61,65-92,96-112H,5-54H2,1-4H3,(H,113,114)/t55?,56?,57-,58-,59+,60-,61-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74-,75+,76-,77+,78+,79+,80+,81+,82-,83-,84+,85-,86-,87+,88-,89-,90+/m1/s1","","2024-09-19","2025-06-20","(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate","2025-06-25"],["J1V","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide","C21 H21 F3 N2 O3","C1C(CCCC1)C(NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO)=O;ONC(=O)[CH](NC(=O)C1CCCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C3CCCCC3","InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)18(16)24)12-6-8-13(9-7-12)19(21(28)26-29)25-20(27)14-4-2-1-3-5-14/h6-11,14,19,29H,1-5H2,(H,25,27)(H,26,28)/t19-/m1/s1","","2018-08-03","2018-12-21","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide","2018-12-26"],["YFW","2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine","C13 H18 N2 O","CN(C)CCc1c[NH]c2ccc(cc21)OC;COc1ccc2[nH]cc(CCN(C)C)c2c1;CN(C)CCc1c[nH]c2c1cc(cc2)OC","InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3","","2023-01-27","2024-05-10","2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine","2024-05-15"],["YFX","[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","C24 H27 F4 N5 O4","FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1;Fc1cc(OCC(F)(F)F)ccc1COC(=O)N2CCC3(CC2)CN(C3)C(=O)[CH]4CCc5[nH]nnc5C4;c1cc(c(cc1OCC(F)(F)F)F)COC(=O)N2CCC3(CC2)CN(C3)C(=O)C4CCc5c(nn[nH]5)C4","InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)","","2023-06-13","2024-12-13","[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","2024-12-18"],["A1A8E","[(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","C14 H20 N4 O","OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12;CC1(C)CC[CH](CO)N(C1)c2ncnc3[nH]ccc23;CC1(CCC(N(C1)c2c3cc[nH]c3ncn2)CO)C","InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1","","2024-09-19","2025-06-06","[(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","2025-06-11"],["J1W","2-Bromopalmitic acid","C16 H31 Br O2","CCCCCCCCCCCCCC[CH](Br)C(O)=O;CCCCCCCCCCCCCCC(C(=O)O)Br","InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1","","2019-01-12","2020-01-31","(2~{R})-2-bromanylhexadecanoic acid","2020-02-05"],["YFY","(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide","C19 H25 N3 O3","COc2cc(ccc2c1cnco1)NC(=O)C3C(C(C)C)CCCN3;COc1cc(NC(=O)[CH]2NCCC[CH]2C(C)C)ccc1c3ocnc3;CC(C)C1CCCNC1C(=O)Nc2ccc(c(c2)OC)c3cnco3","InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1","","2021-02-26","2021-07-23","(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide","2021-07-28"],["A1A8F","[(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","C14 H20 N4 O","OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12;CC1(C)CC[CH](CO)N(C1)c2ncnc3[nH]ccc23;CC1(CCC(N(C1)c2c3cc[nH]c3ncn2)CO)C","InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m1/s1","","2024-09-19","2025-06-06","[(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","2025-06-11"],["J1X","3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide","C18 H12 F3 N7 O","C(=O)(c1cc(C(F)(F)F)cc(c1)n2cccn2)Nc3cccc(c3)c4nnnn4;FC(F)(F)c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)n4cccn4;c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4","InChI=1S/C18H12F3N7O/c19-18(20,21)13-7-12(9-15(10-13)28-6-2-5-22-28)17(29)23-14-4-1-3-11(8-14)16-24-26-27-25-16/h1-10H,(H,23,29)(H,24,25,26,27)","","2019-04-24","2020-06-26","3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide","2020-07-01"],["J1Z","thieno[3,2-b]thiophene","C6 H4 S2","s1ccc2sccc12;c1csc2c1scc2","InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H","","2009-06-16","2011-06-04","thieno[3,2-b]thiophene",""],["YFZ","(-)-Galantinic acid","C7 H15 N O5","N[CH](CO)[CH](O)C[CH](O)CC(O)=O;C(C(CC(=O)O)O)C(C(CO)N)O","InChI=1S/C7H15NO5/c8-5(3-9)6(11)1-4(10)2-7(12)13/h4-6,9-11H,1-3,8H2,(H,12,13)/t4-,5-,6-/m0/s1","(3S,5S,6S)-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid; Galantinic acid","2023-12-04","2024-09-27","(3~{S},5~{S},6~{S})-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid","2024-07-24"],["A1A8O","(2S)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one","C25 H27 Cl2 N5 O","NC(C(=O)N1CCCC1)C1CCN(CC1)c1nccc2c1cccc2c1ncc(Cl)cc1Cl;N[CH](C1CCN(CC1)c2nccc3c2cccc3c4ncc(Cl)cc4Cl)C(=O)N5CCCC5;c1cc2c(ccnc2N3CCC(CC3)C(C(=O)N4CCCC4)N)c(c1)c5c(cc(cn5)Cl)Cl","InChI=1S/C25H27Cl2N5O/c26-17-14-21(27)23(30-15-17)19-4-3-5-20-18(19)6-9-29-24(20)31-12-7-16(8-13-31)22(28)25(33)32-10-1-2-11-32/h3-6,9,14-16,22H,1-2,7-8,10-13,28H2/t22-/m0/s1","","2024-09-20","2025-05-23","(2S)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one","2025-05-28"],["J20","1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde","C36 H26 O5","COc1ccc(cc1)C2(c3ccc(OC)cc3)c4cc(O)ccc4c5ccc(C=O)c(C#Cc6ccc(O)cc6)c25;COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC","InChI=1S/C36H26O5/c1-40-29-14-7-25(8-15-29)36(26-9-16-30(41-2)17-10-26)34-21-28(39)13-20-32(34)33-19-6-24(22-37)31(35(33)36)18-5-23-3-11-27(38)12-4-23/h3-4,6-17,19-22,38-39H,1-2H3","","2016-11-25","2017-02-17","1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde","2017-02-22"],["YG","WYBUTOSINE","C21 H29 N6 O12 P","O=C(OC)C(NC(=O)OC)CCc3c(nc4N(c1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)n34)C)C;COC(=O)N[CH](CCc1n2C(=O)c3ncn([CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O)c3N(C)c2nc1C)C(=O)OC;Cc1c(n2c(n1)N(c3c(ncn3C4C(C(C(O4)COP(=O)(O)O)O)O)C2=O)C)CCC(C(=O)OC)NC(=O)OC","InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12-,14-,15-,18-/m1/s1","Y-BASE; 1H-IMIDAZO(1,2-ALPHA)PURINE-7-BUTANOIC\nACID,4,9-DIHYDRO-ALPHA-((METHOXYCARBONYL)AMINO)-4,6-DIMETHYL-9-OXO-METHYL ESTER","1999-07-08","2020-06-17","7-{(3R)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one",""],["A1A8R","N-oleoyl-D-erythro-sphingosylphosphorylcholine","C41 H82 N2 O6 P","C[N+](C)(C)CCOP(O)(=O)OCC(NC(=O)CCCCCCC/C=CCCCCCCCC)C(O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCCC)O","InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b21-20-,34-32+/t39-,40+/m0/s1","N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine; N-Oleoylsphingomyelin","2024-09-20","2025-09-19","(4S,7S)-4-hydroxy-7-[(1R,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium","2025-09-24"],["A1A8U","(2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione","C22 H23 F2 N3 O3","FC(F)CC12CCc3ccccc3C2N2N3C=CC(=O)C(O)=C3C(=O)N(C)C2CC1;CN1[CH]2CC[C]3(CCc4ccccc4[CH]3N2N5C=CC(=O)C(=C5C1=O)O)CC(F)F;CN1C2CCC3(CCc4ccccc4C3N2N5C=CC(=O)C(=C5C1=O)O)CC(F)F","InChI=1S/C22H23F2N3O3/c1-25-17-7-10-22(12-16(23)24)9-6-13-4-2-3-5-14(13)20(22)27(17)26-11-8-15(28)19(29)18(26)21(25)30/h2-5,8,11,16-17,20,29H,6-7,9-10,12H2,1H3/t17-,20+,22+/m0/s1","","2024-09-20","2025-01-24","(2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione","2025-01-29"],["J21","N-{[(1S)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid","C23 H31 Br N4 O10","O=C(c1c(OCCNC(=O)C)cc(Br)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O;CC(=O)NCCOc1cc(Br)ccc1C(=O)NCCCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(=O)NCCOc1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)Br","InChI=1S/C23H31BrN4O10/c1-13(29)25-10-11-38-18-12-14(24)5-6-15(18)20(32)26-9-3-2-4-16(21(33)34)27-23(37)28-17(22(35)36)7-8-19(30)31/h5-6,12,16-17H,2-4,7-11H2,1H3,(H,25,29)(H,26,32)(H,30,31)(H,33,34)(H,35,36)(H2,27,28,37)/t16-,17-/m0/s1","","2013-12-11","2014-06-13","N-{[(1S)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid","2014-06-18"],["YG0","N-phenylcyclopropanecarboxamide","C10 H11 N O","O=C(Nc1ccccc1)C1CC1;O=C(Nc1ccccc1)C2CC2;c1ccc(cc1)NC(=O)C2CC2","InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)","","2023-01-27","2023-02-10","N-phenylcyclopropanecarboxamide","2023-02-15"],["J22","{(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol","C27 H34 N4 O3 S","c5(S(N1CC2N(CCCC1)C(CO)C2c4ccc(c3c(c(C)ccc3)C)cc4)(=O)=O)nccn5C;Cn1ccnc1[S](=O)(=O)N2CCCCN3[CH](CO)[CH]([CH]3C2)c4ccc(cc4)c5cccc(C)c5C;Cc1cccc(c1C)c2ccc(cc2)C3C4CN(CCCCN4C3CO)S(=O)(=O)c5nccn5C","InChI=1S/C27H34N4O3S/c1-19-7-6-8-23(20(19)2)21-9-11-22(12-10-21)26-24-17-30(14-4-5-15-31(24)25(26)18-32)35(33,34)27-28-13-16-29(27)3/h6-13,16,24-26,32H,4-5,14-15,17-18H2,1-3H3/t24-,25+,26-/m0/s1","","2018-07-18","2019-03-29","{(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol","2019-04-03"],["YG1","N-{(11S)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4H,10H-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide","C24 H23 N3 O3","CC(=O)Nc1ccc2Cn3nc(cc3COc2c1)c1ccccc1C#CCCCO;CC(=O)Nc1ccc2Cn3nc(cc3COc2c1)c4ccccc4C#CCCCO;CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO","InChI=1S/C24H23N3O3/c1-17(29)25-20-11-10-19-15-27-21(16-30-24(19)13-20)14-23(26-27)22-9-5-4-8-18(22)7-3-2-6-12-28/h4-5,8-11,13-14,28H,2,6,12,15-16H2,1H3,(H,25,29)","","2021-03-01","2022-01-21","N-{(11S)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4H,10H-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide","2022-01-26"],["A1A8W","(2S)-2-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol","C12 H16 N4 O","OCC(Nc1ncnc2[NH]ccc21)C1CCC1;OC[CH](Nc1ncnc2[nH]ccc12)C3CCC3;c1c[nH]c2c1c(ncn2)NC(CO)C3CCC3","InChI=1S/C12H16N4O/c17-6-10(8-2-1-3-8)16-12-9-4-5-13-11(9)14-7-15-12/h4-5,7-8,10,17H,1-3,6H2,(H2,13,14,15,16)/t10-/m1/s1","","2024-09-21","2025-06-06","(2S)-2-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol","2025-06-11"],["J23","3-[(2S)-2-azanyl-1-oxidanyl-propyl]phenol","C9 H13 N O2","C[CH](N)[CH](O)c1cccc(O)c1;CC(C(c1cccc(c1)O)O)N","InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9+/m0/s1","","2021-03-24","2025-03-21","3-[(2~{S})-2-azanyl-1-oxidanyl-propyl]phenol","2025-03-26"],["YG2","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][4-(2,2,2-trifluoroethoxy)quinolin-2-yl]methanone","C25 H21 F3 N6 O3","FC(F)(F)COc1cc(nc2ccccc12)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)COc1cc(nc2ccccc12)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc6[nH]nnc6c5;c1ccc2c(c1)c(cc(n2)C(=O)N3CC4CN(CC4C3)C(=O)c5ccc6c(c5)nn[nH]6)OCC(F)(F)F","InChI=1S/C25H21F3N6O3/c26-25(27,28)13-37-22-8-21(29-18-4-2-1-3-17(18)22)24(36)34-11-15-9-33(10-16(15)12-34)23(35)14-5-6-19-20(7-14)31-32-30-19/h1-8,15-16H,9-13H2,(H,30,31,32)","","2023-06-13","2024-12-13","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][4-(2,2,2-trifluoroethoxy)quinolin-2-yl]methanone","2024-12-18"],["YG3","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2R)-2-azanylpropanoyl]sulfamate","C13 H19 N7 O7 S","C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6-,8-,9-,13-/m1/s1","5'-O-(N-(D-ALANYL)-SULFAMOYL)ADENOSINE","2023-12-02","2024-05-31","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{R})-2-azanylpropanoyl]sulfamate","2024-06-05"],["A1A8Z","(2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C15 H15 F N4 O","Fc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21;OC[CH](Cc1ccc(F)cc1)Nc2ncnc3[nH]ccc23;c1cc(ccc1CC(CO)Nc2c3cc[nH]c3ncn2)F","InChI=1S/C15H15FN4O/c16-11-3-1-10(2-4-11)7-12(8-21)20-15-13-5-6-17-14(13)18-9-19-15/h1-6,9,12,21H,7-8H2,(H2,17,18,19,20)/t12-/m1/s1","","2024-09-21","2025-06-06","(2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["J24","ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate","C22 H23 N O5","O=C(OCC)c2c3c(c(O)ccc3oc2c1ccccc1)CN4CCOCC4;CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)c4ccccc4;CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4","InChI=1S/C22H23NO5/c1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3","","2014-01-17","2017-06-30","ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate","2017-07-05"],["J25","diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate","C19 H22 N2 O5 S2","O=C(OCC)N2Cc1sc(c(c1CC2)C(=O)OCC)NC(=O)Cc3sccc3;CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OCC;CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC","InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)","","2011-07-08","2011-10-21","diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate",""],["YG4","[(2~{R},3~{R},4~{R},5~{R})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{R},3~{S},4~{R},5~{S})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C31 H46 N12 O25 P4","CO[CH]1[CH](O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5CN(C)C6=C5N=C(N)NC6=O)O[CH]1N7CNc8c(N)ncnc78;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=O)NC8=O)O)O)O)O","InChI=1S/C31H46N12O25P4/c1-40-10-43(25-16(40)26(49)39-30(33)38-25)28-20(48)18(46)12(64-28)6-61-70(53,54)67-72(57,58)68-71(55,56)62-7-13-21(22(59-2)29(65-13)42-9-36-15-23(32)34-8-35-24(15)42)66-69(51,52)60-5-11-17(45)19(47)27(63-11)41-4-3-14(44)37-31(41)50/h3-4,8,11-13,17-22,27-29,36,45-48H,5-7,9-10H2,1-2H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H2,32,34,35)(H,37,44,50)(H3,33,38,39,49)/t11-,12-,13-,17-,18-,19-,20-,21-,22-,27+,28-,29-/m1/s1","","2021-03-01","2021-04-30","[(2~{R},3~{R},4~{R},5~{R})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{R},3~{S},4~{R},5~{S})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2021-05-05"],["A1A9A","(R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol","C17 H18 N4 O","OC(C1CCCN1c1ncnc2[NH]ccc12)c1ccccc1;O[CH]([CH]1CCCN1c2ncnc3[nH]ccc23)c4ccccc4;c1ccc(cc1)C(C2CCCN2c3c4cc[nH]c4ncn3)O","InChI=1S/C17H18N4O/c22-15(12-5-2-1-3-6-12)14-7-4-10-21(14)17-13-8-9-18-16(13)19-11-20-17/h1-3,5-6,8-9,11,14-15,22H,4,7,10H2,(H,18,19,20)/t14-,15-/m1/s1","","2024-09-22","2025-06-06","(R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol","2025-06-11"],["J26","N-[(2S)-1-[(4-cyanophenyl)amino]-4-cyclopropyl-1-oxidanylidene-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide","C26 H30 N4 O3","Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[CH](CCC3CC3)C(=O)Nc4ccc(cc4)C#N;Cc1c2c([nH]c1C(=O)NC(CCC3CC3)C(=O)Nc4ccc(cc4)C#N)CC(CC2=O)(C)C","InChI=1S/C26H30N4O3/c1-15-22-20(12-26(2,3)13-21(22)31)29-23(15)25(33)30-19(11-8-16-4-5-16)24(32)28-18-9-6-17(14-27)7-10-18/h6-7,9-10,16,19,29H,4-5,8,11-13H2,1-3H3,(H,28,32)(H,30,33)/t19-/m0/s1","","2021-03-24","2022-12-16","~{N}-[(2~{S})-1-[(4-cyanophenyl)amino]-4-cyclopropyl-1-oxidanylidene-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","2022-12-21"],["YG5","2-(1H-indazol-1-yl)-N,N-dimethylacetamide","C11 H13 N3 O","CN(C)C(=O)Cn1ncc2ccccc21;CN(C)C(=O)Cn1ncc2ccccc12;CN(C)C(=O)Cn1c2ccccc2cn1","InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3","","2023-01-27","2023-02-10","2-(1H-indazol-1-yl)-N,N-dimethylacetamide","2023-02-15"],["A1A9B","(10S,11R,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide","C33 H38 N6 O10","CC[CH](C)C(=O)C(=O)N[CH]1Cc2ccc(O)c(c2)c3cccc4c3NC(=O)[C]4(O)[CH](O)[CH](NC(=O)[CH](CC(N)=O)NC1=O)C(=O)NC=CC;CCC(C)C(=O)C(=O)NC1Cc2ccc(c(c2)-c3cccc4c3NC(=O)C4(C(C(NC(=O)C(NC1=O)CC(=O)N)C(=O)NC=CC)O)O)O","InChI=1S/C33H38N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h4,6-12,15,20-21,25,27,40,43,49H,5,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t15-,20+,21+,25+,27-,33+/m1/s1","","2024-09-23","2025-03-14","","2025-03-19"],["J27","[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium","C14 H14 Cl F N","Cc1cc(F)ccc1c2ccc(C[NH3+])cc2Cl;Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F","InChI=1S/C14H13ClFN/c1-9-6-11(16)3-5-12(9)13-4-2-10(8-17)7-14(13)15/h2-7H,8,17H2,1H3/p+1","","2017-08-17","2018-02-23","[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium","2018-02-28"],["A1A9E","[(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol","C12 H16 N4 O2","OCC1CC(CN1c1ncnc2[NH]ccc12)OC;CO[CH]1C[CH](CO)N(C1)c2ncnc3[nH]ccc23;COC1CC(N(C1)c2c3cc[nH]c3ncn2)CO","InChI=1S/C12H16N4O2/c1-18-9-4-8(6-17)16(5-9)12-10-2-3-13-11(10)14-7-15-12/h2-3,7-9,17H,4-6H2,1H3,(H,13,14,15)/t8-,9-/m1/s1","","2024-09-23","2025-06-06","[(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol","2025-06-11"],["YG6","1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one","C31 H39 N5 O3","CC(C)c1cc2CCC(C)(C)c2cc1OCC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1;CC(C)c1cc2CCC(C)(C)c2cc1OCC(=O)N3CC[CH]4CN(C[CH]4CC3)C(=O)c5ccc6[nH]nnc6c5;CC(C)c1cc2c(cc1OCC(=O)N3CCC4CN(CC4CC3)C(=O)c5ccc6c(c5)nn[nH]6)C(CC2)(C)C","InChI=1S/C31H39N5O3/c1-19(2)24-13-20-7-10-31(3,4)25(20)15-28(24)39-18-29(37)35-11-8-22-16-36(17-23(22)9-12-35)30(38)21-5-6-26-27(14-21)33-34-32-26/h5-6,13-15,19,22-23H,7-12,16-18H2,1-4H3,(H,32,33,34)","","2023-06-13","2024-12-13","1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one","2024-12-18"],["YG7","5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide","C26 H27 N5 O2","N#Cc1ccc2[NH]cc(CCCCN3CCN(CC3)c3cc4cc(oc4cc3)C(N)=O)c2c1;NC(=O)c1oc2ccc(cc2c1)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3;c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N","InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)","","2021-03-02","2021-08-06","5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide","2021-08-11"],["A1A9F","(2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C13 H16 N6 O","Cn1cc(CC(Nc2ncnc3[NH]ccc32)CO)cn1;Cn1cc(C[CH](CO)Nc2ncnc3[nH]ccc23)cn1;Cn1cc(cn1)CC(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C13H16N6O/c1-19-6-9(5-17-19)4-10(7-20)18-13-11-2-3-14-12(11)15-8-16-13/h2-3,5-6,8,10,20H,4,7H2,1H3,(H2,14,15,16,18)/t10-/m0/s1","","2024-09-23","2025-06-06","(2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["J28","5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid","C15 H17 N3 O4 S","O=S(=O)(O)c2cc(/N=N/c1cc(c(O)cc1N)C)c(cc2C)C;Cc1cc(N=Nc2cc(c(C)cc2C)[S](O)(=O)=O)c(N)cc1O;Cc1cc(c(cc1N=Nc2cc(c(cc2N)O)C)S(=O)(=O)O)C","InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)/b18-17+","","2011-01-05","2011-06-04","5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid",""],["YG8","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C18 H25 N7 O13 P2","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cncc3)C(O)C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5ccnc5)[CH](O)[CH]3O;c1cn(cn1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C18H25N7O13P2/c19-15-10-16(22-5-21-15)25(7-23-10)18-14(29)12(27)9(37-18)4-35-40(32,33)38-39(30,31)34-3-8-11(26)13(28)17(36-8)24-2-1-20-6-24/h1-2,5-9,11-14,17-18,26-29H,3-4H2,(H,30,31)(H,32,33)(H2,19,21,22)/t8-,9-,11-,12-,13-,14-,17-,18-/m1/s1","","2023-12-04","2024-06-07","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(1H-imidazol-1-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2024-06-12"],["A1A9Q","(2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C11 H17 N5 O","CN(C)CC(CO)Nc1ncnc2[NH]ccc21;CN(C)C[CH](CO)Nc1ncnc2[nH]ccc12;CN(C)CC(CO)Nc1c2cc[nH]c2ncn1","InChI=1S/C11H17N5O/c1-16(2)5-8(6-17)15-11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,17H,5-6H2,1-2H3,(H2,12,13,14,15)/t8-/m0/s1","","2024-09-24","2025-06-06","(2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["J29","2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","C27 H33 N9 O2 S2","CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(nc4)[S](=O)(=O)N5CCN(C)CC5;CCCN(c1cc(ccc1C)c2ccc(nc2)S(=O)(=O)N3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N","InChI=1S/C27H33N9O2S2/c1-4-9-36(27-31-21(17-39-27)26-32-23(28)15-24(29)33-26)22-14-19(6-5-18(22)2)20-7-8-25(30-16-20)40(37,38)35-12-10-34(3)11-13-35/h5-8,14-17H,4,9-13H2,1-3H3,(H4,28,29,32,33)","","2022-04-25","2023-06-02","2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","2023-06-07"],["YG9","(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione","C13 H16 N2 O3","COc1ccc(cc1)CCC1(C)NC(=O)NC1=O;COc1ccc(CC[C]2(C)NC(=O)NC2=O)cc1;CC1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC","InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1","","2023-01-28","2023-02-10","(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione","2023-02-15"],["J2A","(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H24 N10 O11 P2 S2","C54C(COP(OC1C(O)C(OC1n3c2c(C(N=C(N2)N)=O)nc3)COP(O4)(=O)S)(=O)S)OC(C5O)n6c7c(nc6)c(ncn7)N;NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](S)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67)c2N1;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)S)OC5n6cnc7c6NC(=NC7=O)N)O)S)O)N","InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42+,43-/m1/s1","nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP","2018-08-03","2021-03-01","(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2019-02-06"],["J2B","O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro\nfuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate","C20 H28 N10 O12 P2 S2","C3(C(C(n2c1c(C(N=C(N1)N)=O)nc2)OC3CO)OP(OCCC(C(C(n5c4c(c(ncn4)N)nc5)O)O)OP(=O)(O)S)(=O)S)O;NC1=NC(=O)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O[P](S)(=O)OCC[CH](O[P](O)(S)=O)[CH](O)[CH](O)n4cnc5c(N)ncnc45)c2N1;c1nc(c2c(n1)n(cn2)C(C(C(CCOP(=O)(OC3C(C(OC3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N","InChI=1S/C20H28N10O12P2S2/c21-14-9-15(24-4-23-14)29(5-25-9)18(35)12(33)7(41-43(36,37)45)1-2-39-44(38,46)42-13-11(32)8(3-31)40-19(13)30-6-26-10-16(30)27-20(22)28-17(10)34/h4-8,11-13,18-19,31-33,35H,1-3H2,(H,38,46)(H2,21,23,24)(H2,36,37,45)(H3,22,27,28,34)/t7-,8-,11-,12-,13-,18-,19-,44+/m1/s1","cleaved nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP","2018-08-30","2020-06-17","O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name)","2019-02-06"],["YGB","(3,5-dichlorophenyl)methyl (3aR,5r,6aS)-5-{[(1H-1,2,3-triazol-5-yl)methyl]carbamoyl}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate","C19 H21 Cl2 N5 O3","O=C(NCc1cnn[NH]1)C1CC2CN(CC2C1)C(=O)OCc1cc(Cl)cc(Cl)c1;Clc1cc(Cl)cc(COC(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4[nH]nnc4)c1;c1c(cc(cc1Cl)Cl)COC(=O)N2CC3CC(CC3C2)C(=O)NCc4cnn[nH]4","InChI=1S/C19H21Cl2N5O3/c20-15-1-11(2-16(21)5-15)10-29-19(28)26-8-13-3-12(4-14(13)9-26)18(27)22-6-17-7-23-25-24-17/h1-2,5,7,12-14H,3-4,6,8-10H2,(H,22,27)(H,23,24,25)/t12?,13-,14?/m0/s1","","2023-06-13","2024-12-13","(3,5-dichlorophenyl)methyl (3aR,5r,6aS)-5-{[(1H-1,2,3-triazol-5-yl)methyl]carbamoyl}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1A9U","(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C16 H18 N4 O","Cc1cccc(c1)CC(CO)Nc1ncnc2[NH]ccc21;Cc1cccc(C[CH](CO)Nc2ncnc3[nH]ccc23)c1;Cc1cccc(c1)CC(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C16H18N4O/c1-11-3-2-4-12(7-11)8-13(9-21)20-16-14-5-6-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m1/s1","","2024-09-24","2025-06-06","(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["YGC","[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H15 F N5 O12 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N","InChI=1S/C10H15FN5O12P3/c11-5-7(17)4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1","","2023-12-04","2024-07-26","[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-07-31"],["A1A9V","(2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C14 H21 N5 O","OCC(Nc1ncnc2[NH]ccc21)CN1CCCCC1;OC[CH](CN1CCCCC1)Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC(CN3CCCCC3)CO","InChI=1S/C14H21N5O/c20-9-11(8-19-6-2-1-3-7-19)18-14-12-4-5-15-13(12)16-10-17-14/h4-5,10-11,20H,1-3,6-9H2,(H2,15,16,17,18)/t11-/m0/s1","","2024-09-24","2025-06-06","(2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["J2C","8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one","C14 H17 Cl N2 O3 S","ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3;c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl","InChI=1S/C14H17ClN2O3S/c15-8-12(18)16-5-3-14(4-6-16)17(13(19)10-21-14)9-11-2-1-7-20-11/h1-2,7H,3-6,8-10H2","","2021-03-24","2024-09-27","8-(2-chloranylethanoyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one","2022-02-16"],["YGE","(4-cyano-2-ethoxyphenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C24 H24 N6 O4","N#Cc1ccc(COC(=O)N2CC3CN(CC3C2)C(=O)c2cc3nn[NH]c3cc2)c(OCC)c1;CCOc1cc(ccc1COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N;CCOc1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)C#N","InChI=1S/C24H24N6O4/c1-2-33-22-7-15(9-25)3-4-17(22)14-34-24(32)30-12-18-10-29(11-19(18)13-30)23(31)16-5-6-20-21(8-16)27-28-26-20/h3-8,18-19H,2,10-14H2,1H3,(H,26,27,28)","","2023-06-13","2024-12-13","(4-cyano-2-ethoxyphenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["A1A9Y","(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C16 H18 N4 O","Cc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21;Cc1ccc(C[CH](CO)Nc2ncnc3[nH]ccc23)cc1;Cc1ccc(cc1)CC(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-13(9-21)20-16-14-6-7-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m1/s1","","2024-09-24","2025-06-06","(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["J2D","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide","C20 H19 F3 N2 O4","C1COCCC1C(=O)NC(C(=O)NO)c2ccc(cc2)c3cc(F)c(c(c3)F)F;ONC(=O)[CH](NC(=O)C1CCOCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C3CCOCC3","InChI=1S/C20H19F3N2O4/c21-15-9-14(10-16(22)17(15)23)11-1-3-12(4-2-11)18(20(27)25-28)24-19(26)13-5-7-29-8-6-13/h1-4,9-10,13,18,28H,5-8H2,(H,24,26)(H,25,27)/t18-/m1/s1","","2018-08-03","2018-12-21","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide","2018-12-26"],["J2E","1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one","C24 H34 N2 O3","COc1ccc(cc1OC2CCCC2)C3=NN(C4CCCCCC4)C(=O)C3(C)C;CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C","InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3","","2019-01-13","2020-01-31","2-cycloheptyl-5-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-pyrazol-3-one","2020-02-05"],["A1A9Z","(2S)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C16 H18 N4 O","Cc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21;Cc1ccc(C[CH](CO)Nc2ncnc3[nH]ccc23)cc1;Cc1ccc(cc1)CC(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-13(9-21)20-16-14-6-7-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m0/s1","","2024-09-24","2025-06-06","(2S)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["YGF","(3aS,4R,7R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol","C9 H16 N6 O3","NC1=NC(CO)C2N=C(N)NC22N1CCC2(O)O;NC1=N[CH]2[CH](CO)N=C(N)N3CCC(O)(O)[C]23N1;C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)CO)N","InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1","","2023-12-04","2025-05-02","(3aS,4R,7R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol","2025-05-07"],["YGG","5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole","C10 H11 N3 S","C(CSc1cnn[NH]1)c1ccccc1;C(Cc1ccccc1)Sc2[nH]nnc2;c1ccc(cc1)CCSc2cnn[nH]2","InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-8-11-13-12-10/h1-5,8H,6-7H2,(H,11,12,13)","","2021-03-03","2021-09-24","5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole","2021-09-29"],["A1AAA","(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine","C17 H18 N8","Cn1cc(C)c(Nc2ncc3c(c2)cc(nc3N)c2cncn2C)n1;Cn1cc(C)c(Nc2cc3cc(nc(N)c3cn2)c4cncn4C)n1;Cc1cn(nc1Nc2cc3cc(nc(c3cn2)N)c4cncn4C)C","InChI=1S/C17H18N8/c1-10-8-25(3)23-17(10)22-15-5-11-4-13(14-7-19-9-24(14)2)21-16(18)12(11)6-20-15/h4-9H,1-3H3,(H2,18,21)(H,20,22,23)","","2023-12-12","2025-01-17","(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine","2025-01-22"],["J2F","(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid","C16 H16 N2 O5","N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O;c1ccc(c(c1)COc2ccc(cc2)CC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1","","2022-08-04","2024-09-27","(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid","2022-09-21"],["J2G","4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid","C20 H21 F3 N2 O5 S","COc1ccc(cc1S(Nc2c(cc(cc2)C(F)(F)F)N3CCCCC3)(=O)=O)C(O)=O;COc1ccc(cc1[S](=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(O)=O;COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O","InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-7-6-14(20(21,22)23)12-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)","","2018-08-03","2019-12-13","4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid","2019-12-18"],["YGH","4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole","C15 H19 F N2 O","COc1ccc2[NH]cc(CCN3CCCC3)c2c1F;COc1ccc2[nH]cc(CCN3CCCC3)c2c1F;COc1ccc2c(c1F)c(c[nH]2)CCN3CCCC3","InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3","","2023-01-28","2024-05-10","4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole","2024-05-15"],["A1AAB","N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea","C19 H17 F3 N8 O2 S","FC(F)(F)c1cc(cnc1n1nccn1)NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC;CO[CH](C)c1c(NC(=O)Nc2cnc(n3nccn3)c(c2)C(F)(F)F)cnc4sc(C)nc14;Cc1nc2c(c(cnc2s1)NC(=O)Nc3cc(c(nc3)n4nccn4)C(F)(F)F)C(C)OC","InChI=1S/C19H17F3N8O2S/c1-9(32-3)14-13(8-24-17-15(14)27-10(2)33-17)29-18(31)28-11-6-12(19(20,21)22)16(23-7-11)30-25-4-5-26-30/h4-9H,1-3H3,(H2,28,29,31)","","2023-12-12","2024-04-26","N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea","2024-05-01"],["A1AAE","(3M)-N~6~-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine","C14 H16 N6","Cn1cncc1c1nc(N)c2cnc(NCC)cc2c1;CCNc1cc2cc(nc(N)c2cn1)c3cncn3C;CCNc1cc2cc(nc(c2cn1)N)c3cncn3C","InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)","","2023-12-12","2025-01-17","(3M)-N~6~-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine","2025-01-22"],["J2H","8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione","C30 H28 N6 O2","Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6;Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6","InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15-20-34)27(37)35(29(38)36(30)28-32-17-6-18-33-28)25-12-10-24(11-13-25)23-8-3-2-4-9-23/h2-13,16-18H,14-15,19-21H2,1H3","","2019-01-14","2020-01-31","8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione","2020-02-05"],["YGI","{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid","C11 H10 N4 O2 S2","O=C(O)CSc1nnc2n1cnc1sc(C)c(C)c21;Cc1sc2ncn3c(SCC(O)=O)nnc3c2c1C;Cc1c(sc2c1c3nnc(n3cn2)SCC(=O)O)C","InChI=1S/C11H10N4O2S2/c1-5-6(2)19-10-8(5)9-13-14-11(15(9)4-12-10)18-3-7(16)17/h4H,3H2,1-2H3,(H,16,17)","","2023-06-14","2023-07-07","{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid","2023-07-12"],["A1AAF","methyl (1S,2R,3S,4R,5R)-4-{2-[(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate","C20 H18 Cl N5 O4 S","Clc1ccc(C#Cc2nc(NC)c3ncn(C4C5CC5(C(=O)OC)C(O)C4O)c3n2)s1;CNc1nc(nc2n(cnc12)[CH]3[CH](O)[CH](O)[C]4(C[CH]34)C(=O)OC)C#Cc5sc(Cl)cc5;CNc1c2c(nc(n1)C#Cc3ccc(s3)Cl)n(cn2)C4C5CC5(C(C4O)O)C(=O)OC","InChI=1S/C20H18ClN5O4S/c1-22-17-13-18(25-12(24-17)6-4-9-3-5-11(21)31-9)26(8-23-13)14-10-7-20(10,19(29)30-2)16(28)15(14)27/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,24,25)/t10?,14?,15?,16?,20-/m0/s1","","2023-12-13","2024-08-02","methyl (1S,2R,3S,4R,5R)-4-{2-[(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate","2024-08-07"],["YGJ","4-(2-phenylethoxy)phenol","C14 H14 O2","Oc1ccc(OCCc2ccccc2)cc1;Oc1ccc(OCCc2ccccc2)cc1;c1ccc(cc1)CCOc2ccc(cc2)O","InChI=1S/C14H14O2/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2","","2021-03-03","2021-05-14","4-(2-phenylethoxy)phenol","2021-05-19"],["J2I","2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone","C23 H24 F2 N8 O2","Fc1cc(OC)cc(F)c1CC(=O)N5CCN(c3nc(Nc2cc(nn2)C)c4cccn4n3)CC5;COc1cc(F)c(CC(=O)N2CCN(CC2)c3nn4cccc4c(Nc5[nH]nc(C)c5)n3)c(F)c1;Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F","InChI=1S/C23H24F2N8O2/c1-14-10-20(29-28-14)26-22-19-4-3-5-33(19)30-23(27-22)32-8-6-31(7-9-32)21(34)13-16-17(24)11-15(35-2)12-18(16)25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,26,27,28,29,30)","","2011-01-04","2011-06-04","2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone",""],["YGK","Monoepoxidized farnesyl acetate","C17 H28 O3","CC(=O)OCC=C(C)CCC=C(C)CC[CH]1OC1(C)C;CC(=CCCC(=CCOC(=O)C)C)CCC1C(O1)(C)C","InChI=1S/C17H28O3/c1-13(9-10-16-17(4,5)20-16)7-6-8-14(2)11-12-19-15(3)18/h7,11,16H,6,8-10,12H2,1-5H3/b13-7+,14-11+/t16-/m1/s1","[(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate","2023-12-04","2025-04-11","[(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate","2025-04-16"],["A1AAQ","4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide)","C21 H21 N5 O2","N=C(N)c1ccc(cc1)OCc1cccc(COc2ccc(cc2)C(=N)N)n1;NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)n2)cc1;c1cc(nc(c1)COc2ccc(cc2)C(=N)N)COc3ccc(cc3)C(=N)N","InChI=1S/C21H21N5O2/c22-20(23)14-4-8-18(9-5-14)27-12-16-2-1-3-17(26-16)13-28-19-10-6-15(7-11-19)21(24)25/h1-11H,12-13H2,(H3,22,23)(H3,24,25)","","2023-12-19","2024-09-13","4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide)","2024-09-18"],["J2J","5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine","C17 H18 N5 O10 P","c2nc1n(cnc1c(n2)N)C3OC(C(C3O)O)COP(=O)(OC(c4cccc(c4O)O)=O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)c4cccc(O)c4O)[CH](O)[CH]3O;c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1","","2018-08-03","2019-08-16","5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine","2019-08-21"],["A1AAR","N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide","C20 H24 N4 O3","CC1CCC(c2ccc(O)cc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1;C[CH]1CC[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3ccc(O)cc3;Cc1cc(cnc1N)NC(=O)C(=O)N2CC(CCC2c3ccc(cc3)O)C","InChI=1S/C20H24N4O3/c1-12-3-8-17(14-4-6-16(25)7-5-14)24(11-12)20(27)19(26)23-15-9-13(2)18(21)22-10-15/h4-7,9-10,12,17,25H,3,8,11H2,1-2H3,(H2,21,22)(H,23,26)/t12-,17+/m0/s1","","2023-12-30","2024-04-19","N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide","2024-04-24"],["J2L","(4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine","C18 H25 N7 O2 S","Cn1nc(nc1CCc1cc(c2nc(C)c(C)n2n1)S(C)(=O)=O)N1CCCC1;Cn1nc(nc1CCc2cc(c3nc(C)c(C)n3n2)[S](C)(=O)=O)N4CCCC4;Cc1c(n2c(n1)c(cc(n2)CCc3nc(nn3C)N4CCCC4)S(=O)(=O)C)C","InChI=1S/C18H25N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3","","2022-02-01","2022-10-07","(4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine","2022-10-12"],["YGL","2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one","C18 H14 N4 O","O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)c4ccccc4;NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1;c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N","InChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)","","2014-01-15","2015-01-16","2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2015-01-21"],["A1AAU","5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide","C20 H22 N4 O3","CC1CCC(c2ccccc2)N(C1)C(=O)C(=O)Nc1cc(cnc1)C(N)=O;C[CH]1CC[CH](N(C1)C(=O)C(=O)Nc2cncc(c2)C(N)=O)c3ccccc3;CC1CCC(N(C1)C(=O)C(=O)Nc2cc(cnc2)C(=O)N)c3ccccc3","InChI=1S/C20H22N4O3/c1-13-7-8-17(14-5-3-2-4-6-14)24(12-13)20(27)19(26)23-16-9-15(18(21)25)10-22-11-16/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,21,25)(H,23,26)/t13-,17+/m0/s1","","2023-12-31","2024-04-19","5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide","2024-04-24"],["YGM","(but-3-en-1-yl)benzene","C10 H12","C=CCCc1ccccc1;C=CCCc1ccccc1;C=CCCc1ccccc1","InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2","","2021-03-03","2021-05-14","(but-3-en-1-yl)benzene","2021-05-19"],["J2M","N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide","C19 H16 F N5 O2","N1CCc4c(C1=O)c(c2cnc(cc2)F)c(c3cc(ncc3)NC(=O)C)n4;CC(=O)Nc1cc(ccn1)c2[nH]c3CCNC(=O)c3c2c4ccc(F)nc4;CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F","InChI=1S/C19H16FN5O2/c1-10(26)24-15-8-11(4-6-21-15)18-16(12-2-3-14(20)23-9-12)17-13(25-18)5-7-22-19(17)27/h2-4,6,8-9,25H,5,7H2,1H3,(H,22,27)(H,21,24,26)","","2018-08-06","2018-10-26","N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide","2018-10-31"],["YGO","(1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","C28 H38 N4 O4","CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1;CCC[CH](CC)Oc1ccc(cc1NC(=O)c2nnn(c2C)c3cc(OC)ccc3OC)C(C)(C)C;CCCC(CC)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(ccc3OC)OC)C)C(C)(C)C","InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m1/s1","","2023-06-14","2024-05-10","(1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","2024-05-15"],["J2N","(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide","C13 H16 N4 O2","NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1;c1cc(ccc1C(=N)N)NC(=O)C2CCCNC2=O","InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m0/s1","","2019-01-16","2019-02-01","(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide","2019-02-06"],["A1AAV","N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide","C21 H23 N5 O2 S","Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1cc2ncsc2cc1;C[CH]1CC[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3ccc4scnc4c3;Cc1cc(cnc1N)NC(=O)C(=O)N2CC(CCC2c3ccc4c(c3)ncs4)C","InChI=1S/C21H23N5O2S/c1-12-3-5-17(14-4-6-18-16(8-14)24-11-29-18)26(10-12)21(28)20(27)25-15-7-13(2)19(22)23-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H2,22,23)(H,25,27)/t12-,17+/m0/s1","TNG908","2023-12-31","2024-04-19","N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide","2024-04-24"],["YGP","5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine","C17 H21 N6 O9 P","O=C4NC(=CC(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)=C4C)C;CC1=CC(=C(C)C(=O)N1)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N;CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C17H21N6O9P/c1-6-3-8(7(2)14(26)20-6)32-33(28,29)30-4-9-11(24)12(25)16(31-9)23-5-19-10-13(23)21-17(18)22-15(10)27/h3,5,9,11-12,16,24-25H,4H2,1-2H3,(H,20,26)(H,28,29)(H3,18,21,22,27)/t9-,11-,12-,16-/m1/s1","","2013-05-30","2014-01-31","5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine","2014-02-05"],["J2O","11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine","C9 H10 Au N3 O S","Cc1ccc2O[Au]3SC(=NN3Cc2c1)N;Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N","InChI=1S/C9H12N3OS.Au/c1-6-2-3-8(13)7(4-6)5-11-12-9(10)14;/h2-4,13H,5H2,1H3,(H3,10,12,14);/q-1;+3/p-2","","2021-03-24","2022-03-18","11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine","2022-03-23"],["A1AAY","{3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone","C28 H26 N4 O","CN(C)C1CCN(C1)C(=O)c1cc2c(cc1)[NH]nc2C#Cc1ccccc1c1ccccc1;CN(C)[CH]1CCN(C1)C(=O)c2ccc3[nH]nc(C#Cc4ccccc4c5ccccc5)c3c2;CN(C)C1CCN(C1)C(=O)c2ccc3c(c2)c(n[nH]3)C#Cc4ccccc4c5ccccc5","InChI=1S/C28H26N4O/c1-31(2)23-16-17-32(19-23)28(33)22-13-15-27-25(18-22)26(29-30-27)14-12-21-10-6-7-11-24(21)20-8-4-3-5-9-20/h3-11,13,15,18,23H,16-17,19H2,1-2H3,(H,29,30)/t23-/m1/s1","","2024-01-02","2024-05-31","{3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone","2024-06-05"],["A1AAZ","2-thio-thymidine","C10 H15 N2 O7 P S","O=P(O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=S;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=S)NC1=O;CC1=CN(C(=S)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O7PS/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1","","2024-01-02","2025-01-10","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","2025-01-15"],["J2P","(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium","C15 H17 Cl N","CC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2;CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2","InChI=1S/C15H16ClN/c1-2-17-11-12-8-9-14(15(16)10-12)13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3/p+1","","2016-12-16","2017-05-19","(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium","2017-05-24"],["YGQ","Gonyautoxin II","C10 H17 N7 O8 S","NC(=O)OCC1N=C(N)N2CC(OS(=O)(=O)O)C(O)(O)C32NC(N)=NC13;NC(=O)OC[CH]1N=C(N)N2C[CH](O[S](O)(=O)=O)C(O)(O)[C]23NC(=N[CH]13)N;C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O","InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4+,5-,9-/m0/s1","","2023-12-04","2025-11-11","[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","2025-05-07"],["J2Q","~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide","C16 H17 N3 O3","CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N;CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(=N)N","InChI=1S/C16H17N3O3/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21)","","2019-01-16","2019-02-01","~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide","2019-02-06"],["YGR","(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol","C31 H37 Br N4 O7","COc1nc(cc(c1OC)C(c1cc2cc(Br)ccc2nc1OC)C(O)(CCN(C)C)c1cc(OC)nc(OC)c1)OC;COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cc3cc(Br)ccc3nc2OC)c4cc(OC)nc(OC)c4OC;CN(C)CCC(c1cc(nc(c1)OC)OC)(C(c2cc3cc(ccc3nc2OC)Br)c4cc(nc(c4OC)OC)OC)O","InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1","","2023-02-01","2023-02-10","(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol","2023-02-15"],["A1ABA","[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol","C12 H14 F3 N O2","FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1;OCc1cc(ccc1N2CCOCC2)C(F)(F)F;c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2","InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2","","2024-01-04","2024-01-19","[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol","2024-01-24"],["J2T","N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine","C13 H12 N6","n1c(ccc2nnnn12)Nc3cc4c(cc3)CCC4;C1Cc2ccc(Nc3ccc4nnnn4n3)cc2C1;c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2","InChI=1S/C13H12N6/c1-2-9-4-5-11(8-10(9)3-1)14-12-6-7-13-15-17-18-19(13)16-12/h4-8H,1-3H2,(H,14,16)","","2013-05-18","2013-09-13","N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine","2013-09-18"],["YGS","(2-methylprop-2-en-1-yl)benzene","C10 H12","CC(=C)Cc1ccccc1;CC(=C)Cc1ccccc1;CC(=C)Cc1ccccc1","InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3","","2021-03-03","2021-08-20","(2-methylprop-2-en-1-yl)benzene","2021-08-25"],["A1ABB","(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid","C9 H6 O3 S","OC(=O)c1ccc(s1)c1occc1;OC(=O)c1sc(cc1)c2occc2;c1cc(oc1)c2ccc(s2)C(=O)O","InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)","","2024-01-04","2024-01-19","(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid","2024-01-24"],["YGT","(R)-(cyclohexylamino){3-[(3R,4R)-3-{4-[(1R,3R,4R,6R)-6-{[(R)-(cyclohexylamino)(hydroxy)methoxy]methyl}-1-azabicyclo[2.2.2]octan-3-yl]butyl}piperidin-4-yl]propoxy}methanol","C34 H50 N4 O4","O=C(NC1CCCCC1)OCC1CC2CCN1CC2C#CC#CC1CN2CCC1CC2COC(=O)NC1CCCCC1;O=C(NC1CCCCC1)OC[CH]2C[CH]3CC[N]2C[CH]3C#CC#C[CH]4C[N]5CC[CH]4C[CH]5COC(=O)NC6CCCCC6;C1CCC(CC1)NC(=O)OCC2CC3CCN2CC3C#CC#CC4CN5CCC4CC5COC(=O)NC6CCCCC6","InChI=1S/C34H50N4O4/c39-33(35-29-11-3-1-4-12-29)41-23-31-19-25-15-17-37(31)21-27(25)9-7-8-10-28-22-38-18-16-26(28)20-32(38)24-42-34(40)36-30-13-5-2-6-14-30/h25-32H,1-6,11-24H2,(H,35,39)(H,36,40)/t25-,26+,27-,28+,31-,32-/m1/s1","","2023-06-14","2024-12-13","[(1S,2R,4S,5S)-5-{4-[(1R,3R,4R,6R)-6-{[(cyclohexylcarbamoyl)oxy]methyl}-1-azabicyclo[2.2.2]octan-3-yl]buta-1,3-diyn-1-yl}-1-azabicyclo[2.2.2]octan-2-yl]methyl cyclohexylcarbamate","2024-12-18"],["A1ABE","(3M)-3-(furan-2-yl)benzoic acid","C11 H8 O3","O=C(O)c1cccc(c1)c1ccco1;OC(=O)c1cccc(c1)c2occc2;c1cc(cc(c1)C(=O)O)c2ccco2","InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)","","2024-01-04","2024-01-19","(3M)-3-(furan-2-yl)benzoic acid","2024-01-24"],["J2U","(2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one","C29 H24 O3","Oc1ccc(C[CH]2Cc3c(Cc4ccccc4)cc(cc3C2=O)c5ccc(O)cc5)cc1;c1ccc(cc1)Cc2cc(cc3c2CC(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C29H24O3/c30-25-10-6-20(7-11-25)15-24-18-27-23(14-19-4-2-1-3-5-19)16-22(17-28(27)29(24)32)21-8-12-26(31)13-9-21/h1-13,16-17,24,30-31H,14-15,18H2/t24-/m0/s1","","2021-03-25","2021-06-18","(2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one","2021-06-23"],["YGU","(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl hydrogen sulfate","C9 H16 N6 O7 S","O=S(=O)(O)OC1CN2C(N)=NC(CO)C3N=C(N)NC32C1(O)O;NC1=N[CH]2[CH](CO)N=C(N)N3C[CH](O[S](O)(=O)=O)C(O)(O)[C]23N1;C1C(C(C23N1C(=NC(C2N=C(N3)N)CO)N)(O)O)OS(=O)(=O)O","InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4+,5-,8-/m0/s1","","2023-12-04","2025-05-02","(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl hydrogen sulfate","2025-05-07"],["J2V","N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide","C20 H17 N5 O2","c4c(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc(n4)OC;COc1ccc(cn1)c2c([nH]c3cccnc23)c4ccnc(NC(C)=O)c4;CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC","InChI=1S/C20H17N5O2/c1-12(26)24-16-10-13(7-9-21-16)19-18(14-5-6-17(27-2)23-11-14)20-15(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)","","2018-08-06","2018-10-26","N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide","2018-10-31"],["A1ABF","4-[(pyridin-2-yl)oxy]benzonitrile","C12 H8 N2 O","N#Cc1ccc(cc1)Oc1ccccn1;N#Cc1ccc(Oc2ccccn2)cc1;c1ccnc(c1)Oc2ccc(cc2)C#N","InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H","","2024-01-04","2024-01-19","4-[(pyridin-2-yl)oxy]benzonitrile","2024-01-24"],["YGV","1-chloro-2-(methylsulfanyl)benzene","C7 H7 Cl S","CSc1ccccc1Cl;CSc1ccccc1Cl;CSc1ccccc1Cl","InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3","","2021-03-03","2021-05-14","1-chloro-2-(methylsulfanyl)benzene","2021-05-19"],["J2W","~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide","C15 H15 N3 O3","COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N;COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(=N)N","InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(13(12)19)15(20)18-10-7-5-9(6-8-10)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20)","","2019-01-16","2019-02-01","~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide","2019-02-06"],["A1ABR","(3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile","C10 H7 N O2","O=C1c2ccccc2OCC1C#N;O=C1[CH](COc2ccccc12)C#N;c1ccc2c(c1)C(=O)C(CO2)C#N","InChI=1S/C10H7NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,7H,6H2/t7-/m1/s1","","2024-01-04","2024-01-19","(3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile","2024-01-24"],["J2X","(2~{S})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{H}-inden-1-one","C30 H26 O4","OC[C]1(Cc2ccc(O)cc2)Cc3c(Cc4ccccc4)cc(cc3C1=O)c5ccc(O)cc5;c1ccc(cc1)Cc2cc(cc3c2CC(C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O","InChI=1S/C30H26O4/c31-19-30(17-21-6-10-25(32)11-7-21)18-28-24(14-20-4-2-1-3-5-20)15-23(16-27(28)29(30)34)22-8-12-26(33)13-9-22/h1-13,15-16,31-33H,14,17-19H2/t30-/m0/s1","","2021-03-25","2021-06-18","(2~{S})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{H}-inden-1-one","2021-06-23"],["YGW","N-(4-{3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-oxopropoxy}phenyl)methanesulfonamide","C20 H23 F2 N3 O4 S","O=C(CN1CCN(CC1)c1ccc(F)c(F)c1)COc1ccc(NS(C)(=O)=O)cc1;C[S](=O)(=O)Nc1ccc(OCC(=O)CN2CCN(CC2)c3ccc(F)c(F)c3)cc1;CS(=O)(=O)Nc1ccc(cc1)OCC(=O)CN2CCN(CC2)c3ccc(c(c3)F)F","InChI=1S/C20H23F2N3O4S/c1-30(27,28)23-15-2-5-18(6-3-15)29-14-17(26)13-24-8-10-25(11-9-24)16-4-7-19(21)20(22)12-16/h2-7,12,23H,8-11,13-14H2,1H3","","2023-02-02","2023-02-24","N-(4-{3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-oxopropoxy}phenyl)methanesulfonamide","2023-03-01"],["A1ABU","1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","C13 H17 N3 O","O=C1NCN(c2ccccc2)C21CCNCC2;O=C1NCN(c2ccccc2)C13CCNCC3;c1ccc(cc1)N2CNC(=O)C23CCNCC3","InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)","","2024-01-04","2024-01-19","1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","2024-01-24"],["J2Y","N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide","C20 H17 N5 O2","c4nc(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc4OC;COc1ccc(nc1)c2c([nH]c3cccnc23)c4ccnc(NC(C)=O)c4;CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC","InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)","","2018-08-06","2018-10-26","N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide","2018-10-31"],["YGX","(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol","C7 H14 O6","OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1","","2023-06-15","2024-09-27","(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol","2023-10-04"],["J2Z","(9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one","C18 H22 O3","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](O)C2=O;CC12CCC3c4ccc(cc4CCC3C1CC(C2=O)O)O","InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1","","2009-06-26","2011-06-04","(8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",""],["YGY","Cryptophycin 52","C36 H45 Cl N2 O8","COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1;COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CC(C)C)OC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl;CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)Cc2ccc(c(c2)Cl)OC)C(C)C3C(O3)c4ccccc4","InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10-/t22-,26-,27-,29-,31+,32+/m0/s1","(3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone","2021-03-04","2021-09-03","(3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone","2021-09-08"],["A1ABV","(4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione","C11 H15 N O3 S","CC(C)N1CC(O)c2ccccc2S1(=O)=O;CC(C)N1C[CH](O)c2ccccc2[S]1(=O)=O;CC(C)N1CC(c2ccccc2S1(=O)=O)O","InChI=1S/C11H15NO3S/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)16(12,14)15/h3-6,8,10,13H,7H2,1-2H3/t10-/m1/s1","","2024-01-04","2024-01-19","(4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione","2024-01-24"],["J30","4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol","C19 H24 N2 O S","O=C(N3CCN(Cc1cccc2c1cccc2)CC3)CCCS;SCCCC(=O)N1CCN(CC1)Cc2cccc3ccccc23;c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS","InChI=1S/C19H24N2OS/c22-19(9-4-14-23)21-12-10-20(11-13-21)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,23H,4,9-15H2","","2010-09-14","2024-09-27","1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-sulfanylbutan-1-one",""],["YGZ","({[(3aS,4R,7S,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid","C10 H17 N7 O7 S","O=S(=O)(O)NC(=O)OCC1N=C(N)N2CCC(O)(O)C32NC(N)=NC13;NC1=N[CH]2[CH](COC(=O)N[S](O)(=O)=O)N=C(N)N3CCC(O)(O)[C]23N1;C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)COC(=O)NS(=O)(=O)O)N","InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1","","2023-12-04","2025-05-02","({[(3aS,4R,7S,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid","2025-05-07"],["A1ABY","1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one","C15 H20 N2 O3","CC(=O)N1CC(Oc2ccccn2)C2CC1CCC2O;CC(=O)N1C[CH](Oc2ccccn2)[CH]3C[CH]1CC[CH]3O;CC(=O)N1CC(C2CC1CCC2O)Oc3ccccn3","InChI=1S/C15H20N2O3/c1-10(18)17-9-14(20-15-4-2-3-7-16-15)12-8-11(17)5-6-13(12)19/h2-4,7,11-14,19H,5-6,8-9H2,1H3/t11-,12-,13+,14-/m0/s1","","2024-01-04","2024-01-19","1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one","2024-01-24"],["J31","N-{[(1S)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-L-glutamic acid","C58 H97 N7 O24 S","O=C(O)C(NC(=O)NC(C(=O)O)CCCCNC(=O)c3ccccc3OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)c1ccccc1OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C(O)=O)C(O)=O;c1ccc(c(c1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C58H97N7O24S/c66-50(11-4-3-10-49-53-47(43-90-49)64-58(76)65-53)59-16-19-78-22-24-80-26-28-82-30-32-84-34-36-86-38-40-88-42-41-87-39-37-85-35-33-83-31-29-81-27-25-79-23-21-77-18-14-51(67)60-17-20-89-48-9-2-1-7-44(48)54(70)61-15-6-5-8-45(55(71)72)62-57(75)63-46(56(73)74)12-13-52(68)69/h1-2,7,9,45-47,49,53H,3-6,8,10-43H2,(H,59,66)(H,60,67)(H,61,70)(H,68,69)(H,71,72)(H,73,74)(H2,62,63,75)(H2,64,65,76)/t45-,46-,47-,49-,53-/m0/s1","","2013-12-09","2014-06-13","N-{[(1S)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-L-glutamic acid","2014-06-18"],["YH","YTTRIUM ION, 1 WATER COORDINATED","H2 O Y","[OH2][Y+2]","","","1999-11-12","2008-10-14","",""],["J32","[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate","C28 H23 O6 P","OC[CH](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)O[P](O)(O)=O;c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COCC(CO)OP(=O)(O)O","InChI=1S/C28H23O6P/c29-16-25(34-35(30,31)32)18-33-17-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29H,16-18H2,(H2,30,31,32)/t25-/m0/s1","","2019-01-16","2020-01-31","[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate","2020-02-05"],["YH0","2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide","C24 H20 N6 O2","NC(=O)c1cccc2nc([NH]c12)c1ccc(cc1)C(=O)NCCc1nc2ccccc2[NH]1;NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3)C(=O)NCCc4[nH]c5ccccc5n4;c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N","InChI=1S/C24H20N6O2/c25-22(31)16-4-3-7-19-21(16)30-23(29-19)14-8-10-15(11-9-14)24(32)26-13-12-20-27-17-5-1-2-6-18(17)28-20/h1-11H,12-13H2,(H2,25,31)(H,26,32)(H,27,28)(H,29,30)","","2023-02-02","2024-02-02","2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide","2024-02-07"],["A1IXQ","2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide","C16 H14 Cl N3 O S","Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)cc3;c1cc(ccc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Cl","InChI=1S/C16H14ClN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21)","","2024-12-27","2025-10-17","2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide","2025-10-22"],["YH1","2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one","C13 H11 N5 O2 S","O=C(c1ccccc1)CSc3nc2c(N=C(N)NC2=O)n3;NC1=Nc2[nH]c(SCC(=O)c3ccccc3)nc2C(=O)N1;c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N","InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)","","2013-09-03","2014-03-28","2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one","2014-04-02"],["A1IXR","2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide","C16 H14 Br N3 O S","Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Br)c3;c1cc(cc(c1)Br)CCNC(=O)c2ccc3c(c2)sc(n3)N","InChI=1S/C16H14BrN3OS/c17-12-3-1-2-10(8-12)6-7-19-15(21)11-4-5-13-14(9-11)22-16(18)20-13/h1-5,8-9H,6-7H2,(H2,18,20)(H,19,21)","","2024-12-27","2025-10-17","2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide","2025-10-22"],["J33","6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one","C10 H7 Cl2 N3 O","Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl;c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl","InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)","","2021-03-26","2021-09-24","6,7-bis(chloranyl)-3,5-dihydro-1~{H}-imidazo[2,1-b]quinazolin-2-one","2021-09-29"],["YH2","4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile","C13 H10 N6 O S","N#Cc1ccc(cc1)CSc3nc2c(N=C(N)NC2=O)n3;NC1=Nc2[nH]c(SCc3ccc(cc3)C#N)nc2C(=O)N1;c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N","InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)","","2013-09-03","2014-03-28","4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile","2014-04-02"],["J34","N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-L-glutamic acid","C58 H98 N8 O24 S","O=C(O)C(NC(=O)NC(C(=O)O)CCCCNC(=O)Nc3ccccc3OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)Nc1ccccc1OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C(O)=O)C(O)=O;c1ccc(c(c1)NC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C58H98N8O24S/c67-50(11-4-3-10-49-53-47(43-91-49)65-58(77)66-53)59-16-19-79-22-24-81-26-28-83-30-32-85-34-36-87-38-40-89-42-41-88-39-37-86-35-33-84-31-29-82-27-25-80-23-21-78-18-14-51(68)60-17-20-90-48-9-2-1-7-44(48)62-56(75)61-15-6-5-8-45(54(71)72)63-57(76)64-46(55(73)74)12-13-52(69)70/h1-2,7,9,45-47,49,53H,3-6,8,10-43H2,(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H,73,74)(H2,61,62,75)(H2,63,64,76)(H2,65,66,77)/t45-,46-,47-,49-,53-/m0/s1","","2013-12-11","2014-06-13","N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-L-glutamic acid","2014-06-18"],["A1IXS","2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide","C16 H14 Br N3 O S","Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Br)cc3;c1cc(ccc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Br","InChI=1S/C16H14BrN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21)","","2024-12-27","2025-10-17","2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide","2025-10-22"],["J35","(2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid","C22 H24 F3 N O4","FC(F)(F)c1ccc(cc1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CCC;CCC[CH](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O;CCCC(Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O","InChI=1S/C22H24F3NO4/c1-3-4-16(21(28)29)11-14-5-10-19(30-2)17(12-14)13-26-20(27)15-6-8-18(9-7-15)22(23,24)25/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,27)(H,28,29)/t16-/m0/s1","","2012-07-24","2012-08-24","(2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid","2012-08-24"],["YH3","2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one","C14 H13 N5 O2 S","O=C(c1cccc(c1)C)CSc3nc2c(N=C(N)NC2=O)n3;Cc1cccc(c1)C(=O)CSc2[nH]c3N=C(N)NC(=O)c3n2;Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N","InChI=1S/C14H13N5O2S/c1-7-3-2-4-8(5-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)","","2013-09-04","2014-03-28","2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one","2014-04-02"],["A1IXY","(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid","C28 H29 N O6","OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCC5)cc4c3;c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCC3)C(CC(=O)O)c4ccc5c(c4)OCO5","InChI=1S/C28H29NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h6-14,22,24H,1-5,15-17H2,(H,29,30)(H,31,32)/t24-/m0/s1","","2025-01-07","2025-08-29","(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid","2025-09-03"],["J36","Parvine","C18 H13 N3 O","O=C1N2CCc3c([nH]c4ccccc34)C2=Cc5ccncc15;c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3","InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2","","2021-03-26","2021-09-24","","2021-09-29"],["YH4","2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one","C14 H13 N5 O2 S","O=C(c1ccccc1C)CSc3nc2N=C(N)NC(=O)c2n3;Cc1ccccc1C(=O)CSc2[nH]c3C(=O)NC(=Nc3n2)N;Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N","InChI=1S/C14H13N5O2S/c1-7-4-2-3-5-8(7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)","","2013-09-04","2014-03-28","2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one","2014-04-02"],["J37","N-({(1S)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glutamic acid","C57 H95 Br N6 O22 S","O=C1NC2C(SCC2N1)CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N(Cc3ccc(Br)cc3)CCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCN(Cc1ccc(Br)cc1)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[CH]2SC[CH]3NC(=O)N[CH]23)C(O)=O)C(O)=O;c1cc(ccc1CN(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCC2C3C(CS2)NC(=O)N3)Br","InChI=1S/C57H95BrN6O22S/c58-45-11-9-44(10-12-45)42-64(17-5-4-6-46(54(69)70)60-56(73)61-47(55(71)72)13-14-52(67)68)51(66)15-18-75-20-22-77-24-26-79-28-30-81-32-34-83-36-38-85-40-41-86-39-37-84-35-33-82-31-29-80-27-25-78-23-21-76-19-16-59-50(65)8-3-1-2-7-49-53-48(43-87-49)62-57(74)63-53/h9-12,46-49,53H,1-8,13-43H2,(H,59,65)(H,67,68)(H,69,70)(H,71,72)(H2,60,61,73)(H2,62,63,74)/t46-,47-,48-,49-,53-/m0/s1","","2013-12-10","2014-06-13","N-({(1S)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glutamic acid","2014-06-18"],["A1IXZ","(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid","C28 H27 N O6","OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)N[CH]5CCCC=C5)cc4c3;c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCC=C3)C(CC(=O)O)c4ccc5c(c4)OCO5","InChI=1S/C28H27NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h2,4,6-14,22,24H,1,3,5,15-17H2,(H,29,30)(H,31,32)/t22-,24-/m0/s1","","2025-01-07","2025-08-29","(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid","2025-09-03"],["YH5","2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one","C14 H13 N5 O3 S","C3(c2nc(SCC(=O)c1ccc(cc1)OC)nc2N=C(N3)N)=O;COc1ccc(cc1)C(=O)CSc2[nH]c3N=C(N)NC(=O)c3n2;COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N","InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)","","2013-09-04","2016-12-08","2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one","2014-04-02"],["A1IY0","[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2-(methylamino)-6-oxidanyl-2-(propylamino)-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C20 H33 N7 O13 P2 S","CCCN[C]1(NC)O[CH]2[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O[CH]2S1;CCCNC1(OC2C(C(OC2S1)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)NC","InChI=1S/C20H33N7O13P2S/c1-3-4-26-20(22-2)39-15-13(29)10(38-19(15)43-20)6-36-42(33,34)40-41(31,32)35-5-9-12(28)14(30)18(37-9)27-8-25-11-16(21)23-7-24-17(11)27/h7-10,12-15,18-19,22,26,28-30H,3-6H2,1-2H3,(H,31,32)(H,33,34)(H2,21,23,24)/t9-,10-,12-,13-,14-,15-,18-,19-,20-/m1/s1","","2025-01-17","2025-01-24","[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2-(methylamino)-6-oxidanyl-2-(propylamino)-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2025-01-29"],["YH6","2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one","C14 H13 N5 O2 S","O=C(c1ccc(cc1)C)CSc3nc2N=C(N)NC(=O)c2n3;Cc1ccc(cc1)C(=O)CSc2[nH]c3C(=O)NC(=Nc3n2)N;Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N","InChI=1S/C14H13N5O2S/c1-7-2-4-8(5-3-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)","","2013-09-03","2014-03-28","2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one","2014-04-02"],["J38","(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid","C10 H10 N2 O3 S","O=NC(=O)c2ccc1SC(C(=O)Nc1c2)C;C[CH]1Sc2ccc(cc2NC1=O)C(=O)NO;CC1C(=O)Nc2cc(ccc2S1)C(=O)NO","InChI=1S/C10H8N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5H,1H3,(H,11,13)/t5-/m1/s1","","2013-07-25","2013-08-09","(2R)-2-methyl-N,3-dioxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide","2013-08-14"],["J3A","6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine","C21 H25 N7","c4c([C@H]=Cc1nc(cc(n1)Nc2nnc(c2)C)N3CCN(C)CC3)cccc4;CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(C=Cc4ccccc4)n2;Cc1cc(n[nH]1)Nc2cc(nc(n2)C=Cc3ccccc3)N4CCN(CC4)C","InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+","","2018-08-06","2018-08-17","6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine","2018-08-22"],["YH7","6-amino-1,9-dihydro-2H-purine-2-thione","C5 H5 N5 S","S=C2N=C1C(N=CN1)=C(N2)N;NC1=C2N=CNC2=NC(=S)N1;C1=NC2=C(NC(=S)N=C2N1)N","InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)","","2013-09-05","2014-06-06","6-amino-1,9-dihydro-2H-purine-2-thione","2014-04-02"],["A1IYB","(2~{S},4~{R})-~{N}-[(1~{R})-2-[2-[4-[4-bromanyl-7-cyclopentyl-5-oxidanylidene-10-[[(2~{S})-oxolan-2-yl]methoxy]-6~{H}-benzimidazolo[1,2-a]quinazolin-9-yl]piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C60 H77 Br N9 O8 S","CN(C)C1(CC1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](COCCN3CCC(CC3)c4cc5c(cc4OC[CH]6CCCO6)n7c(NC(=O)c8c(Br)cccc78)[n+]5C9CCCC9)c%10ccc(cc%10)c%11scnc%11C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)C(COCCN3CCC(CC3)c4cc5c(cc4OCC6CCCO6)n-7c([n+]5C8CCCC8)NC(=O)c9c7cccc9Br)NC(=O)C1CC(CN1C(=O)C(C(C)(C)C)NC(=O)C1(CC1)N(C)C)O","InChI=1S/C60H76BrN9O8S/c1-36-52(79-35-62-36)39-18-16-38(17-19-39)45(63-54(72)49-29-41(71)32-68(49)56(74)53(59(2,3)4)64-57(75)60(22-23-60)66(5)6)34-76-28-26-67-24-20-37(21-25-67)43-30-47-48(31-50(43)78-33-42-13-10-27-77-42)70-46-15-9-14-44(61)51(46)55(73)65-58(70)69(47)40-11-7-8-12-40/h9,14-19,30-31,35,37,40-42,45,49,53,71H,7-8,10-13,20-29,32-34H2,1-6H3,(H2,63,64,72,75)/p+1/t41-,42+,45+,49+,53-/m1/s1","","2025-01-09","2025-11-07","(2~{S},4~{R})-~{N}-[(1~{R})-2-[2-[4-[4-bromanyl-7-cyclopentyl-5-oxidanylidene-10-[[(2~{S})-oxolan-2-yl]methoxy]-6~{H}-benzimidazolo[1,2-a]quinazolin-7-ium-9-yl]piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2025-11-12"],["YH8","2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide","C32 H33 F3 N8 O5","CCC1=C(N2CCN(CC2)C(=O)c3ncccc3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5C)C(F)(F)F)C6=CCOCC6;CCC1=C(C(=O)n2c(nc(n2)C3=CCOCC3)N1CC(=O)Nc4ccc(cc4C)C(F)(F)F)N5CCN(CC5)C(=O)c6c(cccn6)O","InChI=1S/C32H33F3N8O5/c1-3-23-27(40-11-13-41(14-12-40)29(46)26-24(44)5-4-10-36-26)30(47)43-31(38-28(39-43)20-8-15-48-16-9-20)42(23)18-25(45)37-22-7-6-21(17-19(22)2)32(33,34)35/h4-8,10,17,44H,3,9,11-16,18H2,1-2H3,(H,37,45)","","2023-06-16","2024-04-19","2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide","2024-04-24"],["A1IYE","2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid","C18 H13 Br O6","OC(=O)COc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O;c1cc(cc(c1)OCC(=O)O)C2C(=C(C(=O)O2)O)c3ccc(cc3)Br","InChI=1S/C18H13BrO6/c19-12-6-4-10(5-7-12)15-16(22)18(23)25-17(15)11-2-1-3-13(8-11)24-9-14(20)21/h1-8,17,22H,9H2,(H,20,21)/t17-/m1/s1","","2025-01-10","2025-05-09","2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid","2025-05-14"],["J3B","(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide","C13 H16 N4 O2","NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1;c1cc(ccc1C(=N)N)NC(=O)C2CCCNC2=O","InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1","","2019-01-17","2019-02-01","(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide","2019-02-06"],["J3C","(7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol","C18 H19 N3 O2","Cc1nc2n(ccc3[CH](O)[CH](O)[CH](Nc23)c4ccccc4)c1C;Cc1c(n2ccc3c(c2n1)NC(C(C3O)O)c4ccccc4)C","InChI=1S/C18H19N3O2/c1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12/h3-9,14,16-17,20,22-23H,1-2H3/t14-,16+,17+/m0/s1","","2021-03-30","2021-08-27","(7~{R},8~{R},9~{S})-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol","2021-09-01"],["A1IYF","LY-2090314","C28 H25 F N6 O3","Fc1cc2CN(CCn3cc(c(c1)c23)C4=C(C(=O)NC4=O)c5cnc6ccccn56)C(=O)N7CCCCC7;c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F","InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)","3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione","2025-01-10","2025-11-27","3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione","2025-10-22"],["YH9","({[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid","C10 H17 N7 O11 S2","O=S(=O)(O)NC(=O)OCC1N=C(N)N2CC(OS(=O)(=O)O)C(O)(O)C32NC(N)=NC13;NC1=N[CH]2[CH](COC(=O)N[S](O)(=O)=O)N=C(N)N3C[CH](O[S](O)(=O)=O)C(O)(O)[C]23N1;C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O","InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4+,5-,9-/m0/s1","","2023-12-04","2025-05-02","({[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid","2025-05-07"],["YHA","Homocitrulline","C7 H15 N3 O3","NC(CCCCNC(N)=O)C(=O)O;N[CH](CCCCNC(N)=O)C(O)=O;C(CCNC(=O)N)CC(C(=O)O)N","InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1","N~6~-carbamoyl-L-lysine","2021-03-04","2024-09-27","N~6~-carbamoyl-L-lysine","2022-05-25"],["J3D","N-carboxy-L-cysteine","C4 H7 N O4 S","C(S)C(C(O)=O)NC(=O)O;OC(=O)N[CH](CS)C(O)=O;C(C(C(=O)O)NC(=O)O)S","InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1","","2018-08-06","2024-09-27","N-carboxy-L-cysteine","2019-08-07"],["A1IYP","~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide","C23 H26 N2 O2 S","CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3;CN(CC1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3","","2025-01-14","2025-06-27","~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide","2025-07-02"],["J3E","7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid","C27 H25 N3 O3","Cc1[nH]nc(C)c1c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O;Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O","InChI=1S/C27H25N3O3/c1-16-24(17(2)30-29-16)22-12-6-11-20-21(26(27(31)32)28-25(20)22)13-7-15-33-23-14-5-9-18-8-3-4-10-19(18)23/h3-6,8-12,14,28H,7,13,15H2,1-2H3,(H,29,30)(H,31,32)","","2019-01-17","2019-06-07","7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid","2019-06-12"],["YHB","N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","C43 H50 N10 O5 S","Cc1ncsc1c1ccc(cc1)C(C)NC(=O)C1CC(O)CN1C(=O)C(NC(=O)c1ccnc(c1)N1CCN(CC1)c1cc(nnc1N)c1ccccc1O)C(C)(C)C;C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)c2ccnc(c2)N3CCN(CC3)c4cc(nnc4N)c5ccccc5O)C(C)(C)C)c6ccc(cc6)c7scnc7C;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)c4ccnc(c4)N5CCN(CC5)c6cc(nnc6N)c7ccccc7O)O","InChI=1S/C43H50N10O5S/c1-25(27-10-12-28(13-11-27)37-26(2)46-24-59-37)47-41(57)34-21-30(54)23-53(34)42(58)38(43(3,4)5)48-40(56)29-14-15-45-36(20-29)52-18-16-51(17-19-52)33-22-32(49-50-39(33)44)31-8-6-7-9-35(31)55/h6-15,20,22,24-25,30,34,38,54-55H,16-19,21,23H2,1-5H3,(H2,44,50)(H,47,57)(H,48,56)/t25-,30+,34-,38+/m0/s1","","2023-02-03","2023-07-21","N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","2023-07-26"],["A1IYQ","~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide","C23 H26 N2 O2 S","CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3;CN(CC1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3","","2025-01-14","2025-06-27","~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide","2025-07-02"],["J3F","(5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","C26 H29 N3 O5 S","CCN(CC)c1ccc2c(OC(=O)C=C2N(C)CCOc3ccc(C[CH]4SC(=O)NC4=O)cc3)c1;CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)CC4C(=O)NC(=O)S4","InChI=1S/C26H29N3O5S/c1-4-29(5-2)18-8-11-20-21(16-24(30)34-22(20)15-18)28(3)12-13-33-19-9-6-17(7-10-19)14-23-25(31)27-26(32)35-23/h6-11,15-16,23H,4-5,12-14H2,1-3H3,(H,27,31,32)/t23-/m0/s1","","2021-03-31","2021-05-07","(5~{S})-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","2021-05-12"],["A1IYU","(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one","C18 H16 N2 O3 S","COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3C;Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2","InChI=1S/C18H16N2O3S/c1-11-5-3-4-6-13(11)19-18-20-17(22)16(24-18)10-12-7-8-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-","","2025-01-16","2025-02-21","(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one","2025-02-26"],["YHC","~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide","C31 H31 Cl F3 N9 O5","CCC1=C(N2CCN(CC2)C(=O)c3ncnc(C)c3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5Cl)C(F)(F)F)C6=CCOCC6;CCC1=C(C(=O)n2c(nc(n2)C3=CCOCC3)N1CC(=O)Nc4ccc(cc4Cl)C(F)(F)F)N5CCN(CC5)C(=O)c6c(c(ncn6)C)O","InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)","","2023-06-16","2024-04-19","~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide","2024-04-24"],["A1IYV","(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one","C18 H16 N2 O3 S","COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(C)c3;Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2","InChI=1S/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-","PEPTIDE DERIVED CHROMOPHORE","2025-01-16","2025-02-21","(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one","2025-02-26"],["YHD","N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide","C20 H25 B N2 O3","O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C;CN1CCC[CH]1C(=O)N[CH](Cc2ccc(cc2)c3ccccc3)B(O)O;B(C(Cc1ccc(cc1)c2ccccc2)NC(=O)C3CCCN3C)(O)O","InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1","","2021-03-08","2024-09-27","N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide","2021-09-22"],["J3G","2-hydroxypropane-1,3-diyl dibutanoate","C11 H20 O5","CCCC(OCC(COC(=O)CCC)O)=O;CCCC(=O)OCC(O)COC(=O)CCC;CCCC(=O)OCC(COC(=O)CCC)O","InChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3","","2018-08-06","2019-08-02","2-hydroxypropane-1,3-diyl dibutanoate","2019-08-07"],["J3H","1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one","C13 H18 N6 O","CCC(=O)N1CCC[CH](C1)n2ncc3c(N)ncnc23;CCC(=O)N1CCCC(C1)n2c3c(cn2)c(ncn3)N","InChI=1S/C13H18N6O/c1-2-11(20)18-5-3-4-9(7-18)19-13-10(6-17-19)12(14)15-8-16-13/h6,8-9H,2-5,7H2,1H3,(H2,14,15,16)/t9-/m1/s1","","2019-01-17","2024-09-27","1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one","2019-05-22"],["A1IYY","(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one","C17 H13 F N2 O3 S","COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(F)c3;COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3)F)S2","InChI=1S/C17H13FN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-","","2025-01-16","2025-02-21","(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one","2025-02-26"],["YHE","(2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid","C18 H15 N O3","O=C(O)/C=C/c1cc2c(onc2cc1)c1cc(C)cc(C)c1;Cc1cc(C)cc(c1)c2onc3ccc(C=CC(O)=O)cc23;Cc1cc(cc(c1)c2c3cc(ccc3no2)C=CC(=O)O)C","InChI=1S/C18H15NO3/c1-11-7-12(2)9-14(8-11)18-15-10-13(4-6-17(20)21)3-5-16(15)19-22-18/h3-10H,1-2H3,(H,20,21)/b6-4+","","2023-12-04","2024-12-06","(2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid","2024-12-11"],["YHF","5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine","C15 H22 N5 O7 P","O=P(O)(OC1CCCC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC4CCCC4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4CCCC4)O)O)N","InChI=1S/C15H22N5O7P/c16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(26-15)5-25-28(23,24)27-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,23,24)(H2,16,17,18)/t9-,11-,12-,15-/m1/s1","","2023-02-03","2023-02-10","5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine","2023-02-15"],["A1IYZ","(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one","C17 H13 Cl N2 O3 S","COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(Cl)c3;COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3)Cl)S2","InChI=1S/C17H13ClN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-","CGP 53820","2025-01-16","2025-02-21","(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one","2025-02-26"],["J3I","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide","C21 H32 N6 O2","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCC3CCN(CC3)C(N)=N;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCC3CCN(CC3)C(=N)N)N","InChI=1S/C21H32N6O2/c22-17(13-15-5-2-1-3-6-15)20(29)27-10-4-7-18(27)19(28)25-14-16-8-11-26(12-9-16)21(23)24/h1-3,5-6,16-18H,4,7-14,22H2,(H3,23,24)(H,25,28)/t17-,18+/m1/s1","","2016-12-13","2018-01-12","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide","2018-01-17"],["A1IZA","(S)-Flurbiprofenoyl-CoA","C36 H47 F N7 O17 P3 S","C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)c4ccc(c(F)c4)c5ccccc5;CC(c1ccc(c(c1)F)c2ccccc2)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O","InChI=1S/C36H47FN7O17P3S/c1-20(22-9-10-23(24(37)15-22)21-7-5-4-6-8-21)35(49)65-14-13-39-26(45)11-12-40-33(48)30(47)36(2,3)17-58-64(55,56)61-63(53,54)57-16-25-29(60-62(50,51)52)28(46)34(59-25)44-19-43-27-31(38)41-18-42-32(27)44/h4-10,15,18-20,25,28-30,34,46-47H,11-14,16-17H2,1-3H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t20-,25+,28+,29+,30-,34+/m0/s1","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(3-fluoranyl-4-phenyl-phenyl)propanethioate","2025-01-22","2025-06-06","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(3-fluoranyl-4-phenyl-phenyl)propanethioate","2025-06-11"],["YHG","(3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide","C29 H40 N8 O2","Cn1ncc2c(cc(C)nc12)N3CCc4n(CC56CCC(CC5)(CC6)NC(=O)[CH]7COCCN7)nc(C)c4C3;Cc1cc(c2cnn(c2n1)C)N3CCc4c(c(nn4CC56CCC(CC5)(CC6)NC(=O)C7COCCN7)C)C3","InChI=1S/C29H40N8O2/c1-19-14-25(21-15-31-35(3)26(21)32-19)36-12-4-24-22(16-36)20(2)34-37(24)18-28-5-8-29(9-6-28,10-7-28)33-27(38)23-17-39-13-11-30-23/h14-15,23,30H,4-13,16-18H2,1-3H3,(H,33,38)/t23-,28-,29+/m0/s1","","2023-06-16","2023-08-11","(3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide","2023-08-16"],["J3J","1,3-dihydroxypropan-2-yl butanoate","C7 H14 O4","OCC(CO)OC(CCC)=O;CCCC(=O)OC(CO)CO;CCCC(=O)OC(CO)CO","InChI=1S/C7H14O4/c1-2-3-7(10)11-6(4-8)5-9/h6,8-9H,2-5H2,1H3","","2018-08-06","2019-08-02","1,3-dihydroxypropan-2-yl butanoate","2019-08-07"],["J3K","(2~{R})-1-azanylpropan-2-ol","C3 H9 N O","C[CH](O)CN;CC(CN)O","InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1","","2019-01-17","2024-09-27","(2~{R})-1-azanylpropan-2-ol","2020-04-15"],["A1IZB","(S)-2-methyldecanoyl-CoA","C32 H56 N7 O17 P3 S","CCCCCCCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C32H56N7O17P3S/c1-5-6-7-8-9-10-11-20(2)31(44)60-15-14-34-22(40)12-13-35-29(43)26(42)32(3,4)17-53-59(50,51)56-58(48,49)52-16-21-25(55-57(45,46)47)24(41)30(54-21)39-19-38-23-27(33)36-18-37-28(23)39/h18-21,24-26,30,41-42H,5-17H2,1-4H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20-,21-,24+,25+,26-,30+/m0/s1","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyldecanethioate","2025-01-22","2025-06-06","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyldecanethioate","2025-06-11"],["YHH","(1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid","C19 H17 N O3","O=C(O)C1CC1c1cc2c(onc2cc1)c1cc(C)cc(C)c1;Cc1cc(C)cc(c1)c2onc3ccc(cc23)[CH]4C[CH]4C(O)=O;Cc1cc(cc(c1)c2c3cc(ccc3no2)C4CC4C(=O)O)C","InChI=1S/C19H17NO3/c1-10-5-11(2)7-13(6-10)18-16-8-12(3-4-17(16)20-23-18)14-9-15(14)19(21)22/h3-8,14-15H,9H2,1-2H3,(H,21,22)/t14-,15+/m1/s1","","2023-12-04","2024-12-06","(1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid","2024-12-11"],["YHI","benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","C23 H31 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)OCc4ccccc4;CC1(C2C1C(N(C2)C(=O)OCc3ccccc3)C(=O)NC(CC4CCNC4=O)CO)C","InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1","","2021-03-08","2024-09-27","benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","2021-03-17"],["J3L","(2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid","C19 H27 N O6","CCCC=CC=CC(=O)[CH]1C(=O)[CH](C[C](O)(C(C)C)C(O)=O)N(C)C1=O;CCCC=CC=CC(=O)C1C(=O)C(N(C1=O)C)CC(C(C)C)(C(=O)O)O","InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,15,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+/t13-,15+,19-/m0/s1","","2021-03-31","2021-06-25","(2~{S})-3-methyl-2-[[(2~{S},4~{R})-1-methyl-4-[(2~{E},4~{E})-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid","2021-06-30"],["A1IZD","(S)-ketoprofenoyl-CoA","C37 H48 N7 O18 P3 S","C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)c4cccc(c4)C(=O)c5ccccc5;CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O","InChI=1S/C37H48N7O18P3S/c1-21(23-10-7-11-24(16-23)28(46)22-8-5-4-6-9-22)36(50)66-15-14-39-26(45)12-13-40-34(49)31(48)37(2,3)18-59-65(56,57)62-64(54,55)58-17-25-30(61-63(51,52)53)29(47)35(60-25)44-20-43-27-32(38)41-19-42-33(27)44/h4-11,16,19-21,25,29-31,35,47-48H,12-15,17-18H2,1-3H3,(H,39,45)(H,40,49)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t21-,25-,29+,30+,31-,35+/m0/s1","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-[3-(phenylcarbonyl)phenyl]propanethioate","2025-01-22","2025-06-06","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-[3-(phenylcarbonyl)phenyl]propanethioate","2025-06-11"],["YHJ","benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate","C23 H31 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)OCc4ccccc4;c1ccc(cc1)COC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)CO","InChI=1S/C23H31N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,16-20,27H,4,7-14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1","","2021-03-08","2024-09-27","benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate","2021-03-17"],["J3M","(2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid","C30 H29 N O4","c2(c(nc(c1ccccc1)c3ccccc23)c4ccc5c(c4)CCCO5)C(OC(C)(C)C)C(O)=O;CC(C)(C)O[CH](C(O)=O)c1c2ccccc2c(nc1c3ccc4OCCCc4c3)c5ccccc5;CC(C)(C)OC(c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O","InChI=1S/C30H29NO4/c1-30(2,3)35-28(29(32)33)25-22-13-7-8-14-23(22)26(19-10-5-4-6-11-19)31-27(25)21-15-16-24-20(18-21)12-9-17-34-24/h4-8,10-11,13-16,18,28H,9,12,17H2,1-3H3,(H,32,33)/t28-/m0/s1","","2018-08-06","2019-03-01","(2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid","2019-03-06"],["A1IZQ","2-chloranyl-~{N}-(6-oxidanylidene-1,7-dihydropyrrolo[2,3-b]pyridin-4-yl)ethanamide","C9 H8 Cl N3 O2","ClCC(=O)NC1=CC(=O)Nc2[nH]ccc12;c1c[nH]c2c1C(=CC(=O)N2)NC(=O)CCl","InChI=1S/C9H8ClN3O2/c10-4-8(15)12-6-3-7(14)13-9-5(6)1-2-11-9/h1-3H,4H2,(H3,11,12,13,14,15)","","2025-01-23","2026-01-23","2-chloranyl-~{N}-(6-oxidanylidene-1,7-dihydropyrrolo[2,3-b]pyridin-4-yl)ethanamide","2026-01-28"],["YHK","5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine","C13 H18 N5 O7 P","O=P(O)(OC1CC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC4CC4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4CC4)O)O)N","InChI=1S/C13H18N5O7P/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(20)9(19)7(24-13)3-23-26(21,22)25-6-1-2-6/h4-7,9-10,13,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2023-02-03","2023-02-10","5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine","2023-02-15"],["J3N","1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C20 H22 N8 O","CCC(=O)N1CCC[CH](C1)n2nc(c3cnc4[nH]ccc4c3)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N","InChI=1S/C20H22N8O/c1-2-15(29)27-7-3-4-14(10-27)28-20-16(18(21)24-11-25-20)17(26-28)13-8-12-5-6-22-19(12)23-9-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1","","2019-01-18","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2019-05-22"],["YHL","tetrabenazine","C19 H27 N O3","CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O;COc1cc2CCN3C[CH](CC(C)C)C(=O)C[CH]3c2cc1OC;CC(C)CC1CN2CCc3cc(c(cc3C2CC1=O)OC)OC","InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1","(3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one","2023-06-17","2023-10-27","(3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one","2023-11-01"],["J3O","Fenofibrate","C20 H21 Cl O4","CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2;CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl","InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3","","2023-08-07","2024-11-11","propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate","2024-02-14"],["A1IZR","4-[[1,1-bis(oxidanylidene)-7-propan-2-yl-4~{H}-1$l^{6},2,4-benzothiadiazin-3-yl]amino]-2,6-bis(chloranyl)phenol","C16 H15 Cl2 N3 O3 S","CC(C)c1ccc2NC(=N[S](=O)(=O)c2c1)Nc3cc(Cl)c(O)c(Cl)c3;CC(C)c1ccc2c(c1)S(=O)(=O)N=C(N2)Nc3cc(c(c(c3)Cl)O)Cl","InChI=1S/C16H15Cl2N3O3S/c1-8(2)9-3-4-13-14(5-9)25(23,24)21-16(20-13)19-10-6-11(17)15(22)12(18)7-10/h3-8,22H,1-2H3,(H2,19,20,21)","","2025-01-24","2025-11-07","4-[[1,1-bis(oxidanylidene)-7-propan-2-yl-4~{H}-1$l^{6},2,4-benzothiadiazin-3-yl]amino]-2,6-bis(chloranyl)phenol","2025-11-12"],["J3P","(2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid","C34 H33 N3 O4","c3(c(nc(c2cnn(Cc1ccccc1)c2)c4ccccc34)c5ccc6c(c5)CCCO6)C(OC(C)(C)C)C(=O)O;CC(C)(C)O[CH](C(O)=O)c1c2ccccc2c(nc1c3ccc4OCCCc4c3)c5cnn(Cc6ccccc6)c5;CC(C)(C)OC(c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O","InChI=1S/C34H33N3O4/c1-34(2,3)41-32(33(38)39)29-26-13-7-8-14-27(26)30(25-19-35-37(21-25)20-22-10-5-4-6-11-22)36-31(29)24-15-16-28-23(18-24)12-9-17-40-28/h4-8,10-11,13-16,18-19,21,32H,9,12,17,20H2,1-3H3,(H,38,39)/t32-/m0/s1","","2018-08-06","2019-03-01","(2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid","2019-03-06"],["YHM","(S)-Tioconazole","C16 H13 Cl3 N2 O S","Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl;Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1;c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl","InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m1/s1","1-[(2S)-2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","2021-03-09","2022-08-12","1-[(2S)-2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","2022-08-17"],["YHN","3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid","C16 H13 N O3","O=C(O)c1cc2c(onc2cc1)c1cc(C)cc(C)c1;Cc1cc(C)cc(c1)c2onc3ccc(cc23)C(O)=O;Cc1cc(cc(c1)c2c3cc(ccc3no2)C(=O)O)C","InChI=1S/C16H13NO3/c1-9-5-10(2)7-12(6-9)15-13-8-11(16(18)19)3-4-14(13)17-20-15/h3-8H,1-2H3,(H,18,19)","","2023-12-04","2024-12-06","3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid","2024-12-11"],["J3Q","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C21 H20 F3 N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O","InChI=1S/C21H20F3N3O4S/c1-10-2-4-12(5-3-10)32-21-20(30)18(19(29)16(9-28)31-21)27-8-15(25-26-27)11-6-13(22)17(24)14(23)7-11/h2-8,16,18-21,28-30H,9H2,1H3/t16-,18+,19+,20-,21+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2019-07-10"],["A1IZV","6-(3-fluoranyl-5-furo[3,2-c]pyridin-4-yloxy-pyridin-2-yl)-1,5-dimethyl-pyrimidine-2,4-dione","C18 H13 F N4 O4","CN1C(=O)NC(=O)C(=C1c2ncc(Oc3nccc4occc34)cc2F)C;CC1=C(N(C(=O)NC1=O)C)c2c(cc(cn2)Oc3c4ccoc4ccn3)F","InChI=1S/C18H13FN4O4/c1-9-15(23(2)18(25)22-16(9)24)14-12(19)7-10(8-21-14)27-17-11-4-6-26-13(11)3-5-20-17/h3-8H,1-2H3,(H,22,24,25)","","2025-01-27","2025-07-11","6-(3-fluoranyl-5-furo[3,2-c]pyridin-4-yloxy-pyridin-2-yl)-1,5-dimethyl-pyrimidine-2,4-dione","2025-07-16"],["A1IZY","[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]methanone","C28 H25 Cl N6 O3","Clc1ccc2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cnccc6C7CCCC7;c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7CCCC7","InChI=1S/C28H25ClN6O3/c29-24-8-7-22-25(32-24)33-28(38-22)35-13-11-34(12-14-35)27(36)18-5-6-21-23(15-18)37-26(31-21)20-16-30-10-9-19(20)17-3-1-2-4-17/h5-10,15-17H,1-4,11-14H2","","2025-01-27","2025-12-05","[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]methanone","2025-12-10"],["J3R","3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid","C10 H10 N4 O5","CN(CCC(O)=O)c1ccc(c2nonc12)[N+]([O-])=O;CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-]","InChI=1S/C10H10N4O5/c1-13(5-4-8(15)16)6-2-3-7(14(17)18)10-9(6)11-19-12-10/h2-3H,4-5H2,1H3,(H,15,16)","","2021-04-01","2022-03-25","3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid","2022-03-30"],["YHO","(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol","C5 H11 N O3","OC1CC(N)C(O)C1O;N[CH]1C[CH](O)[CH](O)[CH]1O;C1C(C(C(C1O)O)O)N","InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1","","2008-07-25","2011-06-04","(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol",""],["J3S","(6S)-6,8-disulfanyloctanamide","C8 H17 N O S2","C(CCCCC(CCS)S)(N)=O;NC(=O)CCCC[CH](S)CCS;C(CCC(=O)N)CC(CCS)S","InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m0/s1","","2018-08-07","2020-01-31","(6S)-6,8-disulfanyloctanamide","2020-02-05"],["YHP","N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide","C29 H25 F4 N5 O2","FC(F)(F)c1cccc(c1)C(=O)NC1C(=O)N(CC)c2c(C1c1ccc(F)cc1)c(nn2c1ccccc1)CN;CCN1C(=O)[CH](NC(=O)c2cccc(c2)C(F)(F)F)[CH](c3ccc(F)cc3)c4c(CN)nn(c5ccccc5)c14;CCN1c2c(c(nn2c3ccccc3)CN)C(C(C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F","InChI=1S/C29H25F4N5O2/c1-2-37-27-24(22(16-34)36-38(27)21-9-4-3-5-10-21)23(17-11-13-20(30)14-12-17)25(28(37)40)35-26(39)18-7-6-8-19(15-18)29(31,32)33/h3-15,23,25H,2,16,34H2,1H3,(H,35,39)/t23-,25-/m0/s1","","2021-03-09","2021-07-09","N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide","2021-07-14"],["A1IZZ","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)-propyl-amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C21 H28 Cl N5 O9 P2","CCCN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4O;CCCN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C21H28ClN5O9P2/c1-2-8-26(9-13-6-4-3-5-7-13)18-15-19(25-21(22)24-18)27(11-23-15)20-17(29)16(28)14(36-20)10-35-38(33,34)12-37(30,31)32/h3-7,11,14,16-17,20,28-29H,2,8-10,12H2,1H3,(H,33,34)(H2,30,31,32)/t14-,16-,17-,20-/m1/s1","","2025-01-28","2025-06-06","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)-propyl-amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2025-06-11"],["J3T","[4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate","C10 H11 B N2 O4 S","NC(=N)SCc1ccc(cc1)B2O[CH](O)C(=O)O2;B1(OC(C(=O)O1)O)c2ccc(cc2)CSC(=N)N","InChI=1S/C10H11BN2O4S/c12-10(13)18-5-6-1-3-7(4-2-6)11-16-8(14)9(15)17-11/h1-4,8,14H,5H2,(H3,12,13)/t8-/m0/s1","","2019-01-18","2024-09-27","[4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate","2020-02-05"],["YHQ","5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine","C13 H20 N5 O7 P","CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CC(C)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2023-02-03","2023-02-10","5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine","2023-02-15"],["A1J0C","(((S)-1-carboxy-5-((S,E)-5-phenyl-2-(4-((2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetamido)methyl)benzamido)pent-4-enamido)pentyl)carbamoyl)-L-glutamic acid","C47 H65 N9 O16","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)c2ccc(CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)cc2)C(O)=O)C(O)=O;c1ccc(cc1)C=CCC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)c2ccc(cc2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/C47H65N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,12-15,35-37H,4-5,10-11,16-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t35-,36-,37-/m0/s1","","2026-02-20","2026-02-27","(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]phenyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid","2026-03-04"],["A1J0G","dimethyl-glutamic acid","C7 H13 N O4","CC(C)(CC(O)=O)[CH](N)C(O)=O;CC(C)(CC(=O)O)C(C(=O)O)N","InChI=1S/C7H13NO4/c1-7(2,3-4(9)10)5(8)6(11)12/h5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t5-/m1/s1","","2026-02-23","2026-03-20","(2~{S})-2-azanyl-3,3-dimethyl-pentanedioic acid","2026-03-25"],["YHR","reserpine","C33 H40 N2 O9","COc1cc(cc(OC)c1OC)C(=O)OC1CC2CN3CCc4c5ccc(OC)cc5[NH]c4C3CC2C(C1OC)C(=O)OC;CO[CH]1[CH](C[CH]2CN3CCc4c([nH]c5cc(OC)ccc45)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6;COc1ccc2c(c1)[nH]c3c2CCN4C3CC5C(C4)CC(C(C5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC","InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1","methyl (4R)-11,17beta-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate","2023-06-17","2023-10-27","methyl (4R)-11,17beta-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate","2023-11-01"],["J3U","(6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid","C16 H20 O4","O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C;C=CC#CC#CC=CCC(C(CCCCC(=O)O)O)O","InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1","","2021-04-01","2022-04-01","(6~{S},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid","2022-04-06"],["YHS","(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","C16 H13 N5 O","Cc1cc(cc(C)c1)c1onc2ccc(cc12)c1nnn[NH]1;Cc1cc(C)cc(c1)c2onc3ccc(cc23)c4[nH]nnn4;Cc1cc(cc(c1)c2c3cc(ccc3no2)c4[nH]nnn4)C","InChI=1S/C16H13N5O/c1-9-5-10(2)7-12(6-9)15-13-8-11(16-17-20-21-18-16)3-4-14(13)19-22-15/h3-8H,1-2H3,(H,17,18,20,21)","","2023-12-04","2024-12-06","(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","2024-12-11"],["A1J0V","[(2~{S},6~{R})-6-(6-aminopurin-9-yl)morpholin-2-yl]methanol","C10 H14 N6 O2","Nc1ncnc2n(cnc12)[CH]3CNC[CH](CO)O3;c1nc(c2c(n1)n(cn2)C3CNCC(O3)CO)N","InChI=1S/C10H14N6O2/c11-9-8-10(14-4-13-9)16(5-15-8)7-2-12-1-6(3-17)18-7/h4-7,12,17H,1-3H2,(H2,11,13,14)/t6-,7+/m0/s1","","2026-02-24","2026-02-27","[(2~{S},6~{R})-6-(6-aminopurin-9-yl)morpholin-2-yl]methanol","2026-03-04"],["J3V","4-hydroxy-3-nitro-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide","C14 H11 F3 N4 O6 S","O=S(N)(=O)c1cc(c(O)c(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)[N+]([O-])=O;N[S](=O)(=O)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(O)c(c1)[N+]([O-])=O;c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C14H11F3N4O6S/c15-14(16,17)7-1-3-8(4-2-7)19-13(23)20-10-5-9(28(18,26)27)6-11(12(10)22)21(24)25/h1-6,22H,(H2,18,26,27)(H2,19,20,23)","","2018-08-07","2026-04-05","4-hydroxy-3-nitro-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide","2018-11-28"],["J3W","methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate","C40 H53 N5 O6 S","COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4sccc4)C(C)(C)C;CC(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)C(C(C)(C)C)NC(=O)OC)O","InChI=1S/C40H53N5O6S/c1-27(2)33-35(46)41-22-8-7-11-28-13-15-29(16-14-28)25-40(50,37(48)42-33)21-10-23-45(44-36(47)34(39(3,4)5)43-38(49)51-6)26-30-17-19-31(20-18-30)32-12-9-24-52-32/h7-9,12-20,24,27,33-34,50H,10-11,21-23,25-26H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t33-,34+,40+/m0/s1","","2019-01-21","2019-01-25","methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate","2019-01-30"],["YHT","5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine","C13 H16 N5 O7 P","O=P(O)(OCC#C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OCC#C)[CH](O)[CH]3O;C#CCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H16N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2023-02-03","2023-02-10","5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine","2023-02-15"],["A1J16","2-azanyl-~{N}-methyl-ethanamide","C3 H8 N2 O","CNC(=O)CN;CNC(=O)CN","InChI=1S/C3H8N2O/c1-5-3(6)2-4/h2,4H2,1H3,(H,5,6)","","2026-03-06","2026-03-20","2-azanyl-~{N}-methyl-ethanamide","2026-03-25"],["J3X","4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one","C14 H16 Br Cl N2 O3 S","ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(Br)cc3;c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br","InChI=1S/C14H16BrClN2O3S/c15-11-2-1-10(21-11)8-18-13(20)9-22-14(18)3-5-17(6-4-14)12(19)7-16/h1-2H,3-9H2","","2021-04-02","2024-09-27","4-[(5-bromanylfuran-2-yl)methyl]-8-(2-chloranylethanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one","2022-02-16"],["A1J2J","Ubiquinone-6","C39 H58 O4","COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18?,30-20?,31-22?,32-24?,33-26+","2-[(2E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione","2026-03-11","2026-04-16","2-[(2~{E})-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione","2026-03-18"],["YHU","~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide","C7 H11 N3 O","CC(C)NC(=O)c1c[nH]cn1;CC(C)NC(=O)c1c[nH]cn1","InChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)(H,10,11)","","2023-06-19","2024-01-05","~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide","2024-01-10"],["J3Y","[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone","C23 H24 F N7 O2","c1(nc3c(cc1)c(cn3c2cc(C)nn2)C(N4CCOCC4)=O)NC(C)c5ncc(cc5)F;C[CH](Nc1ccc2c(cn(c3cc(C)[nH]n3)c2n1)C(=O)N4CCOCC4)c5ccc(F)cn5;Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)NC(C)c4ccc(cn4)F)C(=O)N5CCOCC5","InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1","","2018-08-08","2019-04-26","[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone","2019-05-01"],["YHV","4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide","C22 H31 F N4 O3 S","Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CCCC(C1)N1CCC(C1)N(C)S(C)(=O)=O;CN([CH]1CCN(C1)[CH]2CCC[CH](C2)NC(=O)c3[nH]c4c(C)ccc(F)c4c3)[S](C)(=O)=O;Cc1ccc(c2c1[nH]c(c2)C(=O)NC3CCCC(C3)N4CCC(C4)N(C)S(=O)(=O)C)F","InChI=1S/C22H31FN4O3S/c1-14-7-8-19(23)18-12-20(25-21(14)18)22(28)24-15-5-4-6-16(11-15)27-10-9-17(13-27)26(2)31(3,29)30/h7-8,12,15-17,25H,4-6,9-11,13H2,1-3H3,(H,24,28)/t15-,16+,17+/m1/s1","","2021-03-10","2021-09-17","4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide","2021-09-22"],["A1J3A","3^{3}-methoxy-1^{7}-(2-(2-(4-methylpiperazin-1-yl)ethoxy)ethoxy)-4,7,10-trioxa-2-aza-1(4,6)-quinolina-3(1,2)-benzenacyclodecaphane-1^{3}-carbonitrile","C30 H37 N5 O6","COc1cccc2Nc3c(cnc4cc(OCCOCCN5CCN(C)CC5)c(OCCOCCOc12)cc34)C#N;CN1CCN(CC1)CCOCCOc2cc3c4cc2OCCOCCOc5c(cccc5OC)Nc4c(cn3)C#N","InChI=1S/C30H37N5O6/c1-34-6-8-35(9-7-34)10-11-37-12-15-40-28-19-25-23-18-27(28)39-16-13-38-14-17-41-30-24(4-3-5-26(30)36-2)33-29(23)22(20-31)21-32-25/h3-5,18-19,21,33H,6-17H2,1-2H3","","2026-03-26","2026-04-03","","2026-04-08"],["J3Z","(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one","C18 H22 O2","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CCC2=O;CC12CCC3c4ccc(cc4CCC3C1CCC2=O)O","InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1","Estrone","2009-07-07","2021-03-01","(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",""],["YHW","(5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","C14 H9 N5 O","c1c(ccc2noc(c12)c1ccccc1)c1nnn[NH]1;[nH]1nnnc1c2ccc3noc(c4ccccc4)c3c2;c1ccc(cc1)c2c3cc(ccc3no2)c4[nH]nnn4","InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19)","","2023-12-04","2024-12-06","(5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","2024-12-11"],["A1J3B","1^{7}-methoxy-4,7,10-trioxa-2-aza-1(4,6)-quinolina-3(1,2)-benzenacyclodecaphane-1^{3}-carbonitrile","C21 H19 N3 O4","COc1cc2ncc(C#N)c3Nc4ccccc4OCCOCCOc1cc23;COc1cc2c3cc1OCCOCCOc4ccccc4Nc3c(cn2)C#N","InChI=1S/C21H19N3O4/c1-25-19-11-17-15-10-20(19)28-9-7-26-6-8-27-18-5-3-2-4-16(18)24-21(15)14(12-22)13-23-17/h2-5,10-11,13,24H,6-9H2,1H3","","2026-03-26","2026-04-03","","2026-04-08"],["YHX","4-NITROQUINOLINE 1-OXIDE","C9 H6 N2 O3","[O-][N+](=O)c2c1c(cccc1)[n+]([O-])cc2;[O-][N+](=O)c1cc[n+]([O-])c2ccccc12;c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]","InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H","","2013-05-13","2014-09-05","4-nitroquinoline 1-oxide","2014-05-28"],["J40","[(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate","C39 H68 O16 P2","CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CC","InChI=1S/C39H68O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)38(35(43)37(39)45)54-56(46,47)48/h3,5,9,11,15-16,20,22,31,34-39,42-45H,4,6-8,10,12-14,17-19,21,23-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b5-3?,11-9?,16-15+,22-20+/t31-,34-,35+,36-,37-,38+,39+/m1/s1","","2021-04-02","2021-04-09","[(2~{R})-1-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5~{E},8~{E})-hexadeca-5,8,11,14-tetraenoate","2021-04-14"],["A1J3F","N-[(3-fluoranyl-4-methoxy-pyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide","C26 H26 F N5 O4","COCc1nn(Cc2ccc(CN3C=CC=CC3=O)cc2)cc1C(=O)NCc4nccc(OC)c4F;COCc1c(cn(n1)Cc2ccc(cc2)CN3C=CC=CC3=O)C(=O)NCc4c(c(ccn4)OC)F","InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)","","2026-03-27","2026-04-03","~{N}-[(3-fluoranyl-4-methoxy-pyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide","2026-04-08"],["J41","5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one","C19 H15 N3 O","c4cccc(c3c1n(C(C=C(N1)C)=O)nc3c2ccccc2)c4;CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1;CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1","InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,20H,1H3","","2018-08-08","2021-04-16","5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one","2021-04-21"],["A1J4E","(S)-10-Hydroxystearic acid","C18 H36 O3","CCCCCCCC[CH](O)CCCCCCCCC(O)=O;CCCCCCCCC(CCCCCCCCC(=O)O)O","InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1","(10S)-10-oxidanyloctadecanoic acid","2026-04-02","2026-04-03","(10~{S})-10-oxidanyloctadecanoic acid","2026-04-08"],["YHY","N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide","C23 H27 F N4 O","Fc1ccc(C)c2[NH]c(cc12)C(=O)Nc1cc(ccc1)N1CCC(CC1)N(C)C;CN(C)C1CCN(CC1)c2cccc(NC(=O)c3[nH]c4c(C)ccc(F)c4c3)c2;Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F","InChI=1S/C23H27FN4O/c1-15-7-8-20(24)19-14-21(26-22(15)19)23(29)25-16-5-4-6-18(13-16)28-11-9-17(10-12-28)27(2)3/h4-8,13-14,17,26H,9-12H2,1-3H3,(H,25,29)","","2021-03-10","2021-09-17","N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide","2021-09-22"],["YHZ","1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol","C11 H21 N4 O12 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC1OC(CNc2cncnc2N)C(O)C1O;Nc1ncncc1NC[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]2O;c1c(c(ncn1)N)NCC2C(C(C(O2)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C11H21N4O12P3/c12-11-6(1-13-4-15-11)14-2-7-9(16)10(17)8(26-7)3-25-30(23,24)27-29(21,22)5-28(18,19)20/h1,4,7-10,14,16-17H,2-3,5H2,(H,21,22)(H,23,24)(H2,12,13,15)(H2,18,19,20)/t7-,8+,9-,10+/m0/s1","","2023-02-03","2023-06-09","1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol","2023-06-14"],["A1J4F","9-oxidanyl-6-[(1-phenylcyclohexyl)methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione","C23 H29 N3 O3","CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3(CCCCC3)c4ccccc4;CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3(CCCCC3)c4ccccc4","InChI=1S/C23H29N3O3/c1-16(2)25-13-14-26-18(24-21(28)20(27)19(26)22(25)29)15-23(11-7-4-8-12-23)17-9-5-3-6-10-17/h3,5-6,9-10,16,27H,4,7-8,11-15H2,1-2H3","","2026-04-02","2026-04-10","9-oxidanyl-6-[(1-phenylcyclohexyl)methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione","2026-04-15"],["J42","N-{[(1S)-5-({[4-bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid","C58 H97 Br N8 O24 S","O=C(O)C(NC(=O)NC(C(=O)O)CCCCNC(=O)Nc3ccc(Br)cc3OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)Nc1ccc(Br)cc1OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C(O)=O)C(O)=O;c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)NC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C58H97BrN8O24S/c59-43-8-9-44(63-56(76)62-13-4-3-5-45(54(72)73)64-57(77)65-46(55(74)75)10-11-52(70)71)48(41-43)91-18-15-61-51(69)12-16-79-19-21-81-23-25-83-27-29-85-31-33-87-35-37-89-39-40-90-38-36-88-34-32-86-30-28-84-26-24-82-22-20-80-17-14-60-50(68)7-2-1-6-49-53-47(42-92-49)66-58(78)67-53/h8-9,41,45-47,49,53H,1-7,10-40,42H2,(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H,74,75)(H2,62,63,76)(H2,64,65,77)(H2,66,67,78)/t45-,46-,47-,49-,53-/m0/s1","","2013-12-12","2014-06-13","N-{[(1S)-5-({[4-bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid","2014-06-18"],["J43","4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide","C12 H11 Cl N4 O3 S2","O=S(=O)(N)c2ccc(Nc1nc(SC)nc(Cl)c1C=O)cc2;CSc1nc(Cl)c(C=O)c(Nc2ccc(cc2)[S](N)(=O)=O)n1;CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H11ClN4O3S2/c1-21-12-16-10(13)9(6-18)11(17-12)15-7-2-4-8(5-3-7)22(14,19)20/h2-6H,1H3,(H2,14,19,20)(H,15,16,17)","4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide","2010-04-22","2021-03-01","4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide",""],["YI0","4-CHLORO-6-[5-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL","C15 H11 Cl N2 O3 S","Clc3c(O)cc(O)c(c1nnsc1c2ccc(OC)cc2)c3;COc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O;COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl","InChI=1S/C15H11ClN2O3S/c1-21-9-4-2-8(3-5-9)15-14(17-18-22-15)10-6-11(16)13(20)7-12(10)19/h2-7,19-20H,1H3","","2011-05-10","2012-05-11","4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol",""],["J45","4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide","C10 H8 Cl N5 O4 S","O=S(=O)(N)c1ccc(cc1)Nc2ncnc(Cl)c2[N+]([O-])=O;N[S](=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+]([O-])=O)cc1;c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C10H8ClN5O4S/c11-9-8(16(17)18)10(14-5-13-9)15-6-1-3-7(4-2-6)21(12,19)20/h1-5H,(H2,12,19,20)(H,13,14,15)","","2010-03-29","2011-06-04","4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide",""],["YI1","[4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM","C14 H15 F2 N O4 P","[NH3+]OCc1ccc(cc1)c2cccc(c2)C(F)(F)[P](O)(O)=O;c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+]","InChI=1S/C14H14F2NO4P/c15-14(16,22(18,19)20)13-3-1-2-12(8-13)11-6-4-10(5-7-11)9-21-17/h1-8H,9H2,17H3,(H-,18,19,20)/p+1","","2010-12-14","2011-06-04","[4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium",""],["A1JAB","~{N}-(2,2-dimethylpropyl)pyridin-2-amine","C10 H16 N2","CC(C)(C)CNc1ccccn1;CC(C)(C)CNc1ccccn1","InChI=1S/C10H16N2/c1-10(2,3)8-12-9-6-4-5-7-11-9/h4-7H,8H2,1-3H3,(H,11,12)","","2025-04-07","2026-04-10","~{N}-(2,2-dimethylpropyl)pyridin-2-amine","2026-04-15"],["J46","4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide","C20 H16 Br2 N2 O3 S","Brc1ccc(NC(=O)c2ccc(Br)c(c2)[S](=O)(=O)NCc3ccccc3)cc1;c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br","InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)","","2021-04-05","2022-04-01","4-bromanyl-~{N}-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide","2022-04-06"],["YI2","(1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol","C28 H44 O4 S","OC3C(=CCO)C(O)C/C(=CC=C1/CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)C3;CCC(O)(CC)CS[CH](C)C1=CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=CCO)[CH](O)C3;CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(=CCO)C(C3)O)O)C)O","InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,24-,25+,26+,27+/m0/s1","","2012-06-21","2013-05-17","(1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol","2013-05-22"],["A1JAE","~{N}-[2-chloranyl-3-[2-chloranyl-3-[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-3-methoxy-phenyl]phenyl]phenyl]-5-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]pyridine-2-carboxamide","C35 H40 Cl2 N4 O8","COc1cc(ccc1CNC(CO)(CO)CO)c2cccc(c2Cl)c3cccc(NC(=O)c4ccc(CNC(CO)(CO)CO)cn4)c3Cl;COc1cc(ccc1CNC(CO)(CO)CO)c2cccc(c2Cl)c3cccc(c3Cl)NC(=O)c4ccc(cn4)CNC(CO)(CO)CO","InChI=1S/C35H40Cl2N4O8/c1-49-30-12-23(9-10-24(30)15-40-35(19-45,20-46)21-47)25-4-2-5-26(31(25)36)27-6-3-7-28(32(27)37)41-33(48)29-11-8-22(13-38-29)14-39-34(16-42,17-43)18-44/h2-13,39-40,42-47H,14-21H2,1H3,(H,41,48)","","2025-04-07","2026-02-13","~{N}-[2-chloranyl-3-[2-chloranyl-3-[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-3-methoxy-phenyl]phenyl]phenyl]-5-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]pyridine-2-carboxamide","2026-02-18"],["J47","5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile","C13 H7 Br Cl N O2","Brc2cc(C#N)c(Oc1ccc(Cl)cc1O)cc2;Oc1cc(Cl)ccc1Oc2ccc(Br)cc2C#N;c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br","InChI=1S/C13H7BrClNO2/c14-9-1-3-12(8(5-9)7-16)18-13-4-2-10(15)6-11(13)17/h1-6,17H","","2014-10-27","2015-02-27","5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile","2015-03-04"],["YI3","(1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol","C30 H52 O3","OC3CC(=C/C=C1C(CCCC)CCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3;CCCC[CH]1CC[C]2(C)[CH](CC[CH]2C1=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3)[CH](C)CCCC(C)(C)O;CCCCC1CCC2(C(C1=CC=C3CC(CC(C3)O)O)CCC2C(C)CCCC(C)(C)O)C","InChI=1S/C30H52O3/c1-6-7-10-23-15-17-30(5)27(21(2)9-8-16-29(3,4)33)13-14-28(30)26(23)12-11-22-18-24(31)20-25(32)19-22/h11-12,21,23-25,27-28,31-33H,6-10,13-20H2,1-5H3/b26-12+/t21-,23-,24-,25-,27-,28+,30-/m1/s1","","2012-06-06","2013-05-17","(1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol","2013-05-22"],["A1JAF","3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide","C18 H20 N10 O","CNc1nc(Nc2cn(C)nc2C)c(nc1c3cncc4n(C)cnc34)C(N)=O;Cc1c(cn(n1)C)Nc2c(nc(c(n2)NC)c3cncc4c3ncn4C)C(=O)N","InChI=1S/C18H20N10O/c1-9-11(7-28(4)26-9)23-18-15(16(19)29)24-14(17(20-2)25-18)10-5-21-6-12-13(10)22-8-27(12)3/h5-8H,1-4H3,(H2,19,29)(H2,20,23,25)","","2025-04-08","2025-05-23","3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide","2025-05-28"],["J48","CMBL3a","C26 H26 N7 O4","O=C1Nc2ccc3ccc(C[NH2+]Cc4ccc5ccc(NC(=O)OCCC=CCCO1)nc5n4)nc3n2;c1cc2nc3c1ccc(n3)NC(=O)OCCC=CCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2","InChI=1S/C26H25N7O4/c34-25-32-21-11-7-17-5-9-19(28-23(17)30-21)15-27-16-20-10-6-18-8-12-22(31-24(18)29-20)33-26(35)37-14-4-2-1-3-13-36-25/h1-2,5-12,27H,3-4,13-16H2,(H,28,30,32,34)(H,29,31,33,35)/p+1/b2-1+","","2019-01-22","2019-09-20","","2019-09-25"],["A1JAM","2-[3-[[6-[3-(methylamino)propylsulfanylmethyl]pyridin-2-yl]methylsulfanylmethyl]phenyl]ethanoic acid","C20 H26 N2 O2 S2","CNCCCSCc1cccc(CSCc2cccc(CC(O)=O)c2)n1;CNCCCSCc1cccc(n1)CSCc2cccc(c2)CC(=O)O","InChI=1S/C20H26N2O2S2/c1-21-9-4-10-25-14-18-7-3-8-19(22-18)15-26-13-17-6-2-5-16(11-17)12-20(23)24/h2-3,5-8,11,21H,4,9-10,12-15H2,1H3,(H,23,24)","","2025-04-09","2026-03-13","2-[3-[[6-[3-(methylamino)propylsulfanylmethyl]pyridin-2-yl]methylsulfanylmethyl]phenyl]ethanoic acid","2026-03-18"],["YI4","(1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol","C31 H50 O4","OC3C(=CCO)C(O)CC(=CC=C1/C(C/C=C)CCC2(C)C(C(C)CCCC(O)(C)C)CCC12)C3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CC=C3C[CH](O)C(=CCO)[CH](O)C3)[CH](CC[C]12C)CC=C;CC(CCCC(C)(C)O)C1CCC2C1(CCC(C2=CC=C3CC(C(=CCO)C(C3)O)O)CC=C)C","InChI=1S/C31H50O4/c1-6-8-23-14-17-31(5)26(21(2)9-7-16-30(3,4)35)12-13-27(31)24(23)11-10-22-19-28(33)25(15-18-32)29(34)20-22/h6,10-11,15,21,23,26-29,32-35H,1,7-9,12-14,16-20H2,2-5H3/b22-10-,24-11+,25-15+/t21-,23-,26-,27+,28-,29-,31-/m1/s1","","2012-06-06","2013-05-17","(1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol","2013-05-22"],["YI5","4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL","C16 H13 Cl N2 O4 S","COc1ccc(cc1OC)c2snnc2c3cc(Cl)c(O)cc3O;COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl","InChI=1S/C16H13ClN2O4S/c1-22-13-4-3-8(5-14(13)23-2)16-15(18-19-24-16)9-6-10(17)12(21)7-11(9)20/h3-7,20-21H,1-2H3","","2011-05-10","2012-05-11","4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol",""],["J49","(2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid","C17 H18 N6 O7","Nc1ncnc(O)c1NC(=O)Nc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N","InChI=1S/C17H18N6O7/c18-13-12(15(27)20-7-19-13)23-17(30)21-9-3-1-8(2-4-9)14(26)22-10(16(28)29)5-6-11(24)25/h1-4,7,10H,5-6H2,(H,22,26)(H,24,25)(H,28,29)(H2,21,23,30)(H3,18,19,20,27)/t10-/m0/s1","(4-(3-(4-amino-6-hydroxypyrimidin-5-yl)ureido)benzoyl)-L-glutamic acid","2021-04-05","2021-08-06","(2~{S})-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid","2021-08-11"],["A1JAP","2-Hydroxy-archaetidylinositol","C46 H94 N O9 P","CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OCC[C](C)(O)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(C(=O)O)N)OCCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O","InChI=1S/C46H94NO9P/c1-36(2)17-11-19-38(5)21-13-23-40(7)24-15-26-42(9)28-31-53-33-43(34-55-57(51,52)56-35-44(47)45(48)49)54-32-30-46(10,50)29-16-27-41(8)25-14-22-39(6)20-12-18-37(3)4/h36-44,50H,11-35,47H2,1-10H3,(H,48,49)(H,51,52)/t38-,39-,40-,41-,42-,43+,44+,46-/m1/s1","(2~{S})-2-azanyl-3-[oxidanyl-[(2~{S})-3-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecoxy]-2-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethyl-3-oxidanyl-hexadecoxy]propoxy]phosphoryl]oxy-propanoic acid","2025-04-09","2025-12-19","(2~{S})-2-azanyl-3-[oxidanyl-[(2~{S})-3-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecoxy]-2-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethyl-3-oxidanyl-hexadecoxy]propoxy]phosphoryl]oxy-propanoic acid","2025-12-24"],["J4A","6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one","C24 H24 N4 O2","c5(ccc(C3=C(Nc2c(c(c1ccccc1)nn2C3=O)N4CCCCC4)C)cc5)O;CC1=C(C(=O)n2nc(c3ccccc3)c(N4CCCCC4)c2N1)c5ccc(O)cc5;CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O","InChI=1S/C24H24N4O2/c1-16-20(17-10-12-19(29)13-11-17)24(30)28-23(25-16)22(27-14-6-3-7-15-27)21(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,25,29H,3,6-7,14-15H2,1H3","","2018-08-08","2021-04-16","6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one","2021-04-21"],["YI6","2-(4-ethoxyphenyl)ethanoic acid","C10 H12 O3","CCOc1ccc(CC(O)=O)cc1;CCOc1ccc(cc1)CC(=O)O","InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)","","2015-11-15","2016-02-26","2-(4-ethoxyphenyl)ethanoic acid","2016-03-02"],["A1JAQ","1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose","C6 H13 N O4","C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)N)O)O)O","InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1","1-amino-1-deoxy-b-L-fucopyranoside; beta-L-fucopyranosylamine","2025-04-09","2025-04-11","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-azanyl-6-methyl-oxane-3,4,5-triol","2025-04-16"],["J4B","~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide","C18 H18 F2 N2 O4","CCc1c(C)c(O)ccc1C(=O)NNC(=O)[CH](O)c2cc(F)cc(F)c2;CCc1c(c(ccc1C(=O)NNC(=O)C(c2cc(cc(c2)F)F)O)O)C","InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)/t16-/m0/s1","","2019-01-23","2020-02-07","~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide","2020-02-12"],["YI7","(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid","C39 H44 Cl F N4 O5","Fc1ccc2c(c1)cccc2OCCCc1c2ccc(Cl)c3c4c(CC)n(C)nc4C(CCN4CCOCC4)OCCCCn(c1C(=O)O)c23;CCc1n(C)nc2[CH](CCN3CCOCC3)OCCCCn4c(C(O)=O)c(CCCOc5cccc6cc(F)ccc56)c7ccc(Cl)c(c47)c12;CCc1c-2c(nn1C)C(OCCCCn3c4c2c(ccc4c(c3C(=O)O)CCCOc5cccc6c5ccc(c6)F)Cl)CCN7CCOCC7","InChI=1S/C39H44ClFN4O5/c1-3-31-35-34-30(40)14-13-29-28(9-7-21-49-32-10-6-8-25-24-26(41)11-12-27(25)32)38(39(46)47)45(37(29)34)16-4-5-20-50-33(36(35)42-43(31)2)15-17-44-18-22-48-23-19-44/h6,8,10-14,24,33H,3-5,7,9,15-23H2,1-2H3,(H,46,47)/t33-/m1/s1","","2023-06-19","2024-06-14","(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid","2024-06-19"],["A1JAT","(6R,6aR,7S,10R,10aS)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid","C23 H19 F6 N O2","OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F;c1cc2c(cc1C(=O)O)NC(C3C2C4CCC3C4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F","InChI=1S/C23H19F6NO2/c24-22(25,26)14-6-13(7-15(9-14)23(27,28)29)20-19-11-2-1-10(5-11)18(19)16-4-3-12(21(31)32)8-17(16)30-20/h3-4,6-11,18-20,30H,1-2,5H2,(H,31,32)/t10-,11+,18-,19-,20+/m1/s1","","2025-04-10","2025-08-08","","2025-08-13"],["J4C","(2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid","C26 H24 Cl2 N6 O7","CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(Nc4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)nc13;Cn1c2c(nc1Nc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C","InChI=1S/C26H24Cl2N6O7/c1-32-20-21(33(2)26(41)34(23(20)38)12-13-3-8-16(27)17(28)11-13)31-25(32)29-15-6-4-14(5-7-15)22(37)30-18(24(39)40)9-10-19(35)36/h3-8,11,18H,9-10,12H2,1-2H3,(H,29,31)(H,30,37)(H,35,36)(H,39,40)/t18-/m0/s1","(4-((1-(3,4-dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)benzoyl)-L-glutamic acid","2021-04-05","2021-08-06","(2~{S})-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid","2021-08-11"],["YI8","(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole","C15 H8 F3 N5 O","FC(F)(F)c1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1;FC(F)(F)c1ccc(cc1)c2onc3ccc(cc23)c4[nH]nnn4;c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)C(F)(F)F","InChI=1S/C15H8F3N5O/c16-15(17,18)10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-24-13/h1-7H,(H,19,20,22,23)","","2023-12-04","2024-12-06","(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole","2024-12-11"],["A1JAY","2,2,2-tris(fluoranyl)-~{N}-[4-(2-hydroxyethyl)phenyl]ethanamide","C10 H10 F3 N O2","OCCc1ccc(NC(=O)C(F)(F)F)cc1;c1cc(ccc1CCO)NC(=O)C(F)(F)F","InChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-8-3-1-7(2-4-8)5-6-15/h1-4,15H,5-6H2,(H,14,16)","2-(4-trifluoroacetamidophenyl)ethanol","2025-04-14","2026-02-27","2,2,2-tris(fluoranyl)-~{N}-[4-(2-hydroxyethyl)phenyl]ethanamide","2026-03-04"],["YI9","6-(octylamino)pyrimidine-2,4(3H,5H)-dione","C12 H21 N3 O2","O=C1N=C(NCCCCCCCC)CC(=O)N1;CCCCCCCCNC1=NC(=O)NC(=O)C1;CCCCCCCCNC1=NC(=O)NC(=O)C1","InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h2-9H2,1H3,(H2,13,14,15,16,17)","","2023-02-03","2023-10-27","6-(octylamino)pyrimidine-2,4(3H,5H)-dione","2023-11-01"],["J4D","N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea","C13 H5 F5 N4 O8 S","O=S(=O)([N+]([O-])=O)c1cc(c(O)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1)[N+]([O-])=O;Oc1c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(cc1[N+]([O-])=O)[S](=O)(=O)[N+]([O-])=O;c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)[N+](=O)[O-])S(=O)(=O)[N+](=O)[O-]","InChI=1S/C13H5F5N4O8S/c14-6-7(15)9(17)11(10(18)8(6)16)20-13(24)19-4-1-3(31(29,30)22(27)28)2-5(12(4)23)21(25)26/h1-2,23H,(H2,19,20,24)","","2018-08-09","2024-04-25","N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea","2018-11-28"],["A1JAZ","~{N}-[2-[2-[4-[[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanamide","C47 H50 Cl3 N11 O6 S2","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCn4cc(COC[CH]5CN(Cc6ccccn6)C(=O)[CH]7CCC[CH]5N7[S](=O)(=O)c8cc(Cl)cc(Cl)c8)nn4)N=C(c9ccc(Cl)cc9)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCn4cc(nn4)COCC5CN(C(=O)C6CCCC5N6S(=O)(=O)c7cc(cc(c7)Cl)Cl)Cc8ccccn8)c9ccc(cc9)Cl)C","InChI=1S/C47H50Cl3N11O6S2/c1-28-29(2)68-47-43(28)44(31-10-12-33(48)13-11-31)53-39(45-56-54-30(3)60(45)47)22-42(62)52-15-17-66-18-16-59-25-37(55-57-59)27-67-26-32-23-58(24-36-7-4-5-14-51-36)46(63)41-9-6-8-40(32)61(41)69(64,65)38-20-34(49)19-35(50)21-38/h4-5,7,10-14,19-21,25,32,39-41H,6,8-9,15-18,22-24,26-27H2,1-3H3,(H,52,62)/t32-,39+,40-,41+/m1/s1","","2025-04-14","2026-04-24","~{N}-[2-[2-[4-[[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanamide","2026-04-29"],["J4E","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H22 F N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O","InChI=1S/C21H22FN3O4S/c1-12-2-8-15(9-3-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-4-6-14(22)7-5-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-07-10"],["YIA","~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide","C35 H39 F2 N4 O3","C[N]1(CCCc2ccccc2)CCN(CC1)C(=O)N(Cc3oc(cc3)C(=O)NCCc4ccc(F)cc4)c5ccc(F)cc5;C[N]1(CCN(CC1)C(=O)N(Cc2ccc(o2)C(=O)NCCc3ccc(cc3)F)c4ccc(cc4)F)CCCc5ccccc5","InChI=1S/C35H39F2N4O3/c1-41(23-5-8-27-6-3-2-4-7-27)24-21-39(22-25-41)35(43)40(31-15-13-30(37)14-16-31)26-32-17-18-33(44-32)34(42)38-20-19-28-9-11-29(36)12-10-28/h2-4,6-7,9-18H,5,8,19-26H2,1H3,(H,38,42)","","2023-06-19","2024-03-29","~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide","2024-04-03"],["J4F","3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid","C24 H23 Cl N8 O4","CN1C(=O)N(Cc2[nH]c3cccc(Cl)c3c2)C(=O)c4n(C)c(Nc5cc(C)nc(CCC(O)=O)n5)nc14;Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl","InChI=1S/C24H23ClN8O4/c1-12-9-18(28-17(26-12)7-8-19(34)35)29-23-30-21-20(31(23)2)22(36)33(24(37)32(21)3)11-13-10-14-15(25)5-4-6-16(14)27-13/h4-6,9-10,27H,7-8,11H2,1-3H3,(H,34,35)(H,26,28,29,30)","3-(4-((1-((4-chloro-1H-indol-2-yl)methyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-6-methylpyrimidin-2-yl)propanoic acid","2021-04-05","2021-08-06","3-[4-[[1-[(4-chloranyl-1~{H}-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid","2021-08-11"],["YIB","(5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole","C15 H8 F3 N5 O2","FC(F)(F)Oc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1;FC(F)(F)Oc1ccc(cc1)c2onc3ccc(cc23)c4[nH]nnn4;c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)OC(F)(F)F","InChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23)","","2023-12-04","2024-12-06","(5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole","2024-12-11"],["J4G","3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)","C15 H22 N7 O9 P","NC(C(NC3C(C(n2c1c(c(ncn1)N)nc2)OC3COP(O)(=O)O)O)=O)CCC(O)=O;N[CH](CCC(O)=O)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(CCC(=O)O)N)O)N","InChI=1S/C15H22N7O9P/c16-6(1-2-8(23)24)14(26)21-9-7(3-30-32(27,28)29)31-15(11(9)25)22-5-20-10-12(17)18-4-19-13(10)22/h4-7,9,11,15,25H,1-3,16H2,(H,21,26)(H,23,24)(H2,17,18,19)(H2,27,28,29)/t6-,7+,9+,11+,15+/m0/s1","","2018-08-09","2019-06-14","3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)","2019-06-19"],["YIC","(2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","C23 H32 N2 O4","OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCC3;c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCCN2C(=O)CCC3CCCC3","InChI=1S/C23H32N2O4/c26-21(14-13-17-8-4-5-9-17)25-15-7-6-12-20(25)22(27)24-19(23(28)29)16-18-10-2-1-3-11-18/h1-3,10-11,17,19-20H,4-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1","","2019-10-08","2020-09-25","(2~{S})-2-[[(2~{S})-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","2020-09-30"],["YID","(6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","C34 H42 N4 O3","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(ccc3)C(C)(C)C)n(C3CCC(OC)CC3)c2cc1;CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6cccc(c6)C(C)(C)C;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6cccc(c6)C(C)(C)C","InChI=1S/C34H42N4O3/c1-21-32(22(2)41-36-21)23-13-18-29-28(19-23)35-33(38(29)25-14-16-27(40-6)17-15-25)30-11-8-12-31(39)37(30)26-10-7-9-24(20-26)34(3,4)5/h7,9-10,13,18-20,25,27,30H,8,11-12,14-17H2,1-6H3/t25-,27+,30-/m0/s1","","2023-02-03","2024-02-02","(6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","2024-02-07"],["J4H","CMBL4","C26 H29 N8 O4","O=C1Nc2ccc3ccc(C[NH2+]Cc4ccc5ccc(NC(=O)OCCCNCCCO1)nc5n4)nc3n2;c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2","InChI=1S/C26H28N8O4/c35-25-33-21-9-5-17-3-7-19(29-23(17)31-21)15-28-16-20-8-4-18-6-10-22(32-24(18)30-20)34-26(36)38-14-2-12-27-11-1-13-37-25/h3-10,27-28H,1-2,11-16H2,(H,29,31,33,35)(H,30,32,34,36)/p+1","","2019-01-24","2019-09-20","","2019-09-25"],["A1JBO","~{N}-[4-[2-[(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxyethyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide","C24 H34 F3 N O14","OC[CH](O)[CH]1O[CH](O[CH]2[CH](O)[CH](OCCc3ccc(NC(=O)C(F)(F)F)cc3)O[CH]([CH](O)CO)[CH]2O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1CCOC2C(C(C(C(O2)C(CO)O)O)OC3C(C(C(C(O3)C(CO)O)O)O)O)O)NC(=O)C(F)(F)F","InChI=1S/C24H34F3NO14/c25-24(26,27)23(38)28-10-3-1-9(2-4-10)5-6-39-21-17(37)20(16(36)19(40-21)12(32)8-30)42-22-15(35)13(33)14(34)18(41-22)11(31)7-29/h1-4,11-22,29-37H,5-8H2,(H,28,38)/t11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22+/m0/s1","","2025-05-01","2026-02-27","~{N}-[4-[2-[(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxyethyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide","2026-03-04"],["YIE","5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene","C8 H6 Cl N4","Clc1ccc(Cc2[n-]nnn2)cc1;c1cc(ccc1Cc2[n-]nnn2)Cl","InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1","","2015-11-15","2016-02-26","5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene","2016-03-02"],["J4I","6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole","C18 H19 N3 O3 S","Cc1c(C)c(OC)c(C)nc1CSc1[NH]c2cc3OCOc3cc2n1;COc1c(C)nc(CSc2[nH]c3cc4OCOc4cc3n2)c(C)c1C;Cc1c(c(c(nc1CSc2[nH]c3cc4c(cc3n2)OCO4)C)OC)C","InChI=1S/C18H19N3O3S/c1-9-10(2)17(22-4)11(3)19-14(9)7-25-18-20-12-5-15-16(24-8-23-15)6-13(12)21-18/h5-6H,7-8H2,1-4H3,(H,20,21)","","2022-02-01","2022-10-07","6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole","2022-10-12"],["J4J","2-[(2-nitrophenyl)sulfanyl]acetohydrazide","C8 H9 N3 O3 S","O=[N+](c1ccccc1SCC(NN)=O)[O-];NNC(=O)CSc1ccccc1[N+]([O-])=O;c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN","InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)","","2018-08-09","2019-08-16","2-[(2-nitrophenyl)sulfanyl]acetohydrazide","2019-08-21"],["YIF","4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol","C17 H21 N O3","OC(c1ccc(O)cc1)C(C)NCCc1ccc(O)cc1;C[CH](NCCc1ccc(O)cc1)[CH](O)c2ccc(O)cc2;CC(C(c1ccc(cc1)O)O)NCCc2ccc(cc2)O","InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1","","2023-06-19","2024-01-05","4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol","2024-01-10"],["A1JBS","[(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,5-bis(oxidanyl)-6-[2-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate","C24 H35 F3 N O17 P","OC[CH](O)[CH]1O[CH](OCCc2ccc(NC(=O)C(F)(F)F)cc2)[CH](O)[CH](O[CH]3O[CH]([CH](O)CO)[CH](O[P](O)(O)=O)[CH](O)[CH]3O)[CH]1O;c1cc(ccc1CCOC2C(C(C(C(O2)C(CO)O)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)(O)O)O)O)O)NC(=O)C(F)(F)F","InChI=1S/C24H35F3NO17P/c25-24(26,27)23(37)28-10-3-1-9(2-4-10)5-6-41-21-16(36)19(15(35)17(42-21)11(31)7-29)44-22-14(34)13(33)20(45-46(38,39)40)18(43-22)12(32)8-30/h1-4,11-22,29-36H,5-8H2,(H,28,37)(H2,38,39,40)/t11-,12-,13+,14-,15+,16-,17+,18+,19-,20-,21-,22+/m0/s1","Meropenem, bound form","2025-05-02","2026-02-27","[(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,5-bis(oxidanyl)-6-[2-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate","2026-03-04"],["A1JBT","(7~{S})-7-[(2~{S})-1-(6-azanylpurin-3-yl)propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5~{a}~{H}-pyrano[4,3-b]chromen-1-one","C21 H23 N5 O3","C[CH](Cn1cnc(N)c2ncnc12)[CH]3CCC4=CC5=C(O[CH]4C3)C=C(C)OC5=O;CC1=CC2=C(C=C3CCC(CC3O2)C(C)Cn4cnc(c-5ncnc45)N)C(=O)O1","InChI=1S/C21H23N5O3/c1-11(8-26-10-25-19(22)18-20(26)24-9-23-18)13-3-4-14-6-15-17(29-16(14)7-13)5-12(2)28-21(15)27/h5-6,9-11,13,16H,3-4,7-8,22H2,1-2H3/t11-,13+,16?/m1/s1","","2025-05-02","2026-05-01","(7~{S})-7-[(2~{S})-1-(6-azanylpurin-3-yl)propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5~{a}~{H}-pyrano[4,3-b]chromen-1-one","2026-05-06"],["J4K","5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole","C8 H7 Cl N4 O","Clc1ccc(OCc2[nH]nnn2)cc1;c1cc(ccc1OCc2[nH]nnn2)Cl","InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)","","2015-10-29","2016-02-26","5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole","2016-03-02"],["YIG","(5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","C20 H13 N5 O2","c1c(ccc2noc(c12)c1ccc(Oc2ccccc2)cc1)c1nnn[NH]1;[nH]1nnnc1c2ccc3noc(c4ccc(Oc5ccccc5)cc4)c3c2;c1ccc(cc1)Oc2ccc(cc2)c3c4cc(ccc4no3)c5[nH]nnn5","InChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25)","","2023-12-04","2024-12-06","(5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","2024-12-11"],["A1JBW","4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol","C18 H21 N5 O7 S2","CN(C)c1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4ccc(O)c(O)c4;CN(C)c1ccc(c2c1non2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)c4ccc(c(c4)O)O","InChI=1S/C18H21N5O7S2/c1-21(2)13-4-6-16(18-17(13)19-30-20-18)32(28,29)23-9-7-22(8-10-23)31(26,27)12-3-5-14(24)15(25)11-12/h3-6,11,24-25H,7-10H2,1-2H3","","2025-05-07","2025-08-08","4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol","2025-08-13"],["J4L","1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione","C20 H23 Cl2 N5 O3","CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(N[CH]4CC[CH](O)CC4)nc13;Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C","InChI=1S/C20H23Cl2N5O3/c1-25-16-17(24-19(25)23-12-4-6-13(28)7-5-12)26(2)20(30)27(18(16)29)10-11-3-8-14(21)15(22)9-11/h3,8-9,12-13,28H,4-7,10H2,1-2H3,(H,23,24)/t12-,13-","","2021-04-05","2021-08-06","1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(4-oxidanylcyclohexyl)amino]purine-2,6-dione","2021-08-11"],["YIH","5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene","C8 H5 Cl2 N4 O","Clc1ccc(OCc2n[n-]nn2)cc1Cl;c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl","InChI=1S/C8H5Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2/q-1","","2015-11-15","2016-02-26","5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene","2016-03-02"],["YII","3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one","C19 H18 N4 O2 S","CS(=O)c1cc2c(cc1)c1C=NN(Cc3cccc(N)c3)C(=O)c1n2C;Cn1c2cc(ccc2c3C=NN(Cc4cccc(N)c4)C(=O)c13)[S](C)=O;Cn1c2cc(ccc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)S(=O)C","InChI=1S/C19H18N4O2S/c1-22-17-9-14(26(2)25)6-7-15(17)16-10-21-23(19(24)18(16)22)11-12-4-3-5-13(20)8-12/h3-10H,11,20H2,1-2H3/t26-/m1/s1","","2023-02-06","2023-05-12","3-[(3-aminophenyl)methyl]-7-[(R)-methanesulfinyl]-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one","2023-05-17"],["A1JBZ","4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol","C21 H25 N5 O7 S2","Oc1ccc(cc1O)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(N4CCCCC4)c5nonc35;c1cc(c(cc1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c4c3non4)N5CCCCC5)O)O","InChI=1S/C21H25N5O7S2/c27-17-6-4-15(14-18(17)28)34(29,30)25-10-12-26(13-11-25)35(31,32)19-7-5-16(20-21(19)23-33-22-20)24-8-2-1-3-9-24/h4-7,14,27-28H,1-3,8-13H2","ISODZKPLYYJZLI-UHFFFAOYSA-N","2025-05-07","2025-08-08","4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol","2025-08-13"],["J4M","N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine","C18 H16 F2 N6","c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4;C[CH](Nc1ccc2ncc(n2n1)c3cc(C)[nH]n3)c4ccc(F)cc4F;Cc1cc(n[nH]1)c2cnc3n2nc(cc3)NC(C)c4ccc(cc4F)F","InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1","","2018-08-10","2019-04-26","N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine","2019-05-01"],["A1JC3","N-(2-methoxyethyl)-N-[[(3R)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide","C26 H32 N2 O3 S","COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3;COCCN(CC1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m1/s1","N-([(3R)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide","2025-05-10","2025-07-25","~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide","2025-07-30"],["J4N","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H21 F2 N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)cc(F)c4)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O","InChI=1S/C21H21F2N3O4S/c1-11-2-4-15(5-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-6-13(22)8-14(23)7-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-07-10"],["YIJ","(1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate","C31 H39 N O6","CC(OC(=O)c1ccccc1)C1=CCC23OCCN(C)CC13CC(O)C13OC4(O)CC(CC=C12)C3(C)CC4;C[CH](OC(=O)c1ccccc1)C2=CC[C]34OCCN(C)C[C]23C[CH](O)[C]56O[C]7(O)CC[C]5(C)[CH](CC=C46)C7;CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)OC(=O)c7ccccc7","InChI=1S/C31H39NO6/c1-20(37-26(34)21-7-5-4-6-8-21)23-11-12-30-24-10-9-22-17-29(35)14-13-27(22,2)31(24,38-29)25(33)18-28(23,30)19-32(3)15-16-36-30/h4-8,10-11,20,22,25,33,35H,9,12-19H2,1-3H3/t20-,22-,25-,27+,28+,29-,30+,31+/m1/s1","","2023-06-19","2024-03-01","(1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate","2024-03-06"],["J4O","1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone","C20 H24 N4 O2","CCc1c([nH]c(C)c1C(C)=O)c2[nH]c3cc(ccc3n2)N4CCOCC4;CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C","InChI=1S/C20H24N4O2/c1-4-15-18(13(3)25)12(2)21-19(15)20-22-16-6-5-14(11-17(16)23-20)24-7-9-26-10-8-24/h5-6,11,21H,4,7-10H2,1-3H3,(H,22,23)","","2021-04-06","2022-03-25","1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1~{H}-benzimidazol-2-yl)-1~{H}-pyrrol-3-yl]ethanone","2022-03-30"],["YIK","N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide","C18 H14 N6 O2","O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1;O=C(Nc1cccc(c1)c2onc3ccc(cc23)c4n[nH]nn4)C5CC5;c1cc(cc(c1)NC(=O)C2CC2)c3c4cc(ccc4no3)c5n[nH]nn5","InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)","","2023-12-04","2024-12-06","N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide","2024-12-11"],["J4P","(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","C21 H21 F3 N2 O3","N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(CC3CCCC3)=O;ONC(=O)[CH](NC(=O)CC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CC3CCCC3","InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)19(16)24)13-5-7-14(8-6-13)20(21(28)26-29)25-18(27)9-12-3-1-2-4-12/h5-8,10-12,20,29H,1-4,9H2,(H,25,27)(H,26,28)/t20-/m1/s1","","2018-08-13","2018-12-21","(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","2018-12-26"],["A1JCE","~{N}-[3-fluoranyl-5-[4-[(3~{S})-3-[2-(2-methoxyethoxy)ethyl]piperidin-1-yl]carbonyl-5-methyl-furan-2-yl]phenyl]-4,4-dimethyl-piperidine-1-carboximidamide","C30 H43 F N4 O4","COCCOCC[CH]1CCCN(C1)C(=O)c2cc(oc2C)c3cc(F)cc(NC(=N)N4CCC(C)(C)CC4)c3;Cc1c(cc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3)(C)C)C(=O)N4CCCC(C4)CCOCCOC","InChI=1S/C30H43FN4O4/c1-21-26(28(36)35-10-5-6-22(20-35)7-13-38-15-14-37-4)19-27(39-21)23-16-24(31)18-25(17-23)33-29(32)34-11-8-30(2,3)9-12-34/h16-19,22H,5-15,20H2,1-4H3,(H2,32,33)/t22-/m0/s1","","2025-05-07","2026-05-01","~{N}-[3-fluoranyl-5-[4-[(3~{S})-3-[2-(2-methoxyethoxy)ethyl]piperidin-1-yl]carbonyl-5-methyl-furan-2-yl]phenyl]-4,4-dimethyl-piperidine-1-carboximidamide","2026-05-06"],["YIL","N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide","C30 H41 N7 O5 S","CC(=O)NCc1cccc(c1)CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(O)(O)c1nc2ccccc2s1;CC(C)C[CH](NC(=O)Cc1cccc(CNC(C)=O)c1)C(=O)N[CH](CCCNC(N)=N)C(O)(O)c2sc3ccccc3n2;CC(C)CC(C(=O)NC(CCCNC(=N)N)C(c1nc2ccccc2s1)(O)O)NC(=O)Cc3cccc(c3)CNC(=O)C","InChI=1S/C30H41N7O5S/c1-18(2)14-23(35-26(39)16-20-8-6-9-21(15-20)17-34-19(3)38)27(40)37-25(12-7-13-33-29(31)32)30(41,42)28-36-22-10-4-5-11-24(22)43-28/h4-6,8-11,15,18,23,25,41-42H,7,12-14,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,37,40)(H4,31,32,33)/t23-,25-/m0/s1","","2023-02-06","2024-09-27","N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide","2024-07-10"],["J4Q","4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole","C8 H9 N3 O2 S2","C[S](=O)(=O)c1nccn1Cc2cscn2;CS(=O)(=O)c1nccn1Cc2cscn2","InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3","","2019-01-24","2019-02-22","4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole","2019-02-27"],["A1JCF","[[(2~{R},3~{S},4~{R},5~{R})-5-[5-chloranyl-7-[[(1~{S})-1~{H}-inden-1-yl]-methyl-amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C20 H23 Cl N6 O9 P2","CN([CH]1C=Cc2ccccc12)c3nc(Cl)nc4n(nnc34)[CH]5O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]5O;CN(c1c2c(nc(n1)Cl)n(nn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)C4C=Cc5c4cccc5","InChI=1S/C20H23ClN6O9P2/c1-26(12-7-6-10-4-2-3-5-11(10)12)17-14-18(23-20(21)22-17)27(25-24-14)19-16(29)15(28)13(36-19)8-35-38(33,34)9-37(30,31)32/h2-7,12-13,15-16,19,28-29H,8-9H2,1H3,(H,33,34)(H2,30,31,32)/t12-,13+,15+,16+,19+/m0/s1","","2025-05-07","2025-11-07","[[(2~{R},3~{S},4~{R},5~{R})-5-[5-chloranyl-7-[[(1~{S})-1~{H}-inden-1-yl]-methyl-amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2025-11-12"],["YIN","(6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine","C24 H16 Br2 N4 O","Brc1ccc(cc1)C2N6N=CNC6=NC4=C2C(Oc3ccccc34)c5ccc(Br)cc5;Brc1ccc(cc1)[CH]2Oc3ccccc3C4=C2[CH](N5N=CNC5=N4)c6ccc(Br)cc6;c1ccc2c(c1)C3=C(C(N4C(=N3)NC=N4)c5ccc(cc5)Br)C(O2)c6ccc(cc6)Br","InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,22-23H,(H,27,28,29)/t22-,23+/m0/s1","chromenotriazolopyrimidine 1","2009-09-25","2021-03-01","(6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine",""],["A1JCK","~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide","C12 H11 N O S","SCC(=O)Nc1ccc2ccccc2c1;c1ccc2cc(ccc2c1)NC(=O)CS","InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)","SGMHGVVTMOGJMX-UHFFFAOYSA-N","2025-05-07","2025-07-04","~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide","2025-07-09"],["J4R","1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone","C23 H27 N7 O","CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5cnn(C)c5;Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C","InChI=1S/C23H27N7O/c1-14-20(15(2)31)21(16-12-24-29(4)13-16)22(25-14)23-26-18-6-5-17(11-19(18)27-23)30-9-7-28(3)8-10-30/h5-6,11-13,25H,7-10H2,1-4H3,(H,26,27)","","2021-04-06","2022-04-01","1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","2022-04-06"],["YIO","1-thio-beta-D-galactopyranose","C6 H12 O5 S","OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1","(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL; 1-thio-beta-D-galactose; 1-thio-D-galactose;\n1-thio-galactose","2011-05-16","2020-07-17","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol",""],["YIP","5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene","C8 H6 Cl N4 O","Clc1cccc(OCc2n[n-]nn2)c1;c1cc(cc(c1)Cl)OCc2n[n-]nn2","InChI=1S/C8H6ClN4O/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2/q-1","","2015-11-15","2016-02-26","5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene","2016-03-02"],["A1JCL","(2~{S})-2-[[6-[3-[8-[2-[(2~{R})-4-[5-[1-[(2-cyanopyridin-3-yl)methyl]-2,2-dimethyl-3-oxidanylidene-pyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]octylcarbamoyl]phenoxy]pyridin-3-yl]carbonylamino]-5,5-dimethyl-hexanoic acid","C56 H67 N11 O8","C[CH]1CN(CCN1C(=O)COCCCCCCCCNC(=O)c2cccc(Oc3ccc(cn3)C(=O)N[CH](CCC(C)(C)C)C(O)=O)c2)c4ncc(cn4)c5ccc6C(=O)C(C)(C)N(Cc7cccnc7C#N)c6n5;CC1CN(CCN1C(=O)COCCCCCCCCNC(=O)c2cccc(c2)Oc3ccc(cn3)C(=O)NC(CCC(C)(C)C)C(=O)O)c4ncc(cn4)c5ccc6c(n5)N(C(C6=O)(C)C)Cc7cccnc7C#N","InChI=1S/C56H67N11O8/c1-37-34-65(54-61-32-41(33-62-54)44-20-19-43-49(69)56(5,6)67(50(43)63-44)35-40-16-14-25-58-46(40)30-57)26-27-66(37)48(68)36-74-28-12-10-8-7-9-11-24-59-51(70)38-15-13-17-42(29-38)75-47-21-18-39(31-60-47)52(71)64-45(53(72)73)22-23-55(2,3)4/h13-21,25,29,31-33,37,45H,7-12,22-24,26-28,34-36H2,1-6H3,(H,59,70)(H,64,71)(H,72,73)/t37-,45+/m1/s1","","2025-05-07","2026-04-03","(2~{S})-2-[[6-[3-[8-[2-[(2~{R})-4-[5-[1-[(2-cyanopyridin-3-yl)methyl]-2,2-dimethyl-3-oxidanylidene-pyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]octylcarbamoyl]phenoxy]pyridin-3-yl]carbonylamino]-5,5-dimethyl-hexanoic acid","2026-04-08"],["J4S","(2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","C19 H17 F3 N2 O3","N(C(C(=O)NO)c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(CC3CC3)=O;ONC(=O)[CH](NC(=O)CC1CC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CC3CC3","InChI=1S/C19H17F3N2O3/c20-14-8-13(9-15(21)17(14)22)11-3-5-12(6-4-11)18(19(26)24-27)23-16(25)7-10-1-2-10/h3-6,8-10,18,27H,1-2,7H2,(H,23,25)(H,24,26)/t18-/m1/s1","","2018-08-13","2018-12-21","(2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","2018-12-26"],["J4T","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate","C20 H29 N6 O9 P","CC1(C)C=C(Cn2cc(nn2)[CH]3[CH](O)[CH](CO[P](O)(O)=O)O[CH]3N4C=CC(=O)NC4=O)C(C)(C)N1O;CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)C3C(C(OC3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C","InChI=1S/C20H29N6O9P/c1-19(2)7-11(20(3,4)26(19)30)8-24-9-12(22-23-24)15-16(28)13(10-34-36(31,32)33)35-17(15)25-6-5-14(27)21-18(25)29/h5-7,9,13,15-17,28,30H,8,10H2,1-4H3,(H,21,27,29)(H2,31,32,33)/t13-,15-,16-,17-/m1/s1","","2019-01-25","2020-02-07","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate","2020-02-12"],["A1JCQ","5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1~{R})-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide","C27 H28 F3 N5 O2 S","C[CH](Oc1cc(sc1C(N)=O)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F;CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)CN5CCN(CC5)C","InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1","","2025-05-09","2025-11-21","5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1~{R})-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide","2025-11-26"],["YIQ","(E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE","C20 H19 N7 O","O=C(c2cc1cc(C(=NNC(=[N@H])N)C)ccc1n2)Nc3ccc4c(c3)ncc4;CC(=NNC(N)=N)c1ccc2[nH]c(cc2c1)C(=O)Nc3ccc4cc[nH]c4c3;CC(=NNC(=N)N)c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3","InChI=1S/C20H19N7O/c1-11(26-27-20(21)22)13-3-5-16-14(8-13)9-18(25-16)19(28)24-15-4-2-12-6-7-23-17(12)10-15/h2-10,23,25H,1H3,(H,24,28)(H4,21,22,27)/b26-11+","","2011-05-16","2011-09-02","5-[(1E)-N-carbamimidoylethanehydrazonoyl]-N-1H-indol-6-yl-1H-indole-2-carboxamide",""],["J4U","(2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[2-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{R},2~{R},4~{S},5'~{R},6~{R},7~{R},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol","C56 H92 O25","C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)CO[CH]9O[CH](CO)[CH](O[CH]%10O[CH](CO)[CH](O)[CH](O)[CH]%10O)[CH](O)[CH]9O;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)COC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1","InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25-,26-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43-,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+,54+,55+,56-/m1/s1","","2021-04-08","2021-04-16","(2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[2-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{R},2~{R},4~{S},5'~{R},6~{R},7~{R},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol","2021-04-21"],["YIR","(E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE","C20 H19 N7 O3","[O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc4ccc3C(=NNC(=[N@H])N)CCCc3c4;NC(=N)NN=C1CCCc2cc(NC(=O)c3[nH]c4c(cccc4[N+]([O-])=O)c3)ccc12;c1cc2cc([nH]c2c(c1)[N+](=O)[O-])C(=O)Nc3ccc4c(c3)CCCC4=NNC(=N)N","InChI=1S/C20H19N7O3/c21-20(22)26-25-15-5-1-3-11-9-13(7-8-14(11)15)23-19(28)16-10-12-4-2-6-17(27(29)30)18(12)24-16/h2,4,6-10,24H,1,3,5H2,(H,23,28)(H4,21,22,26)/b25-15+","","2011-05-16","2011-09-02","N-[(5E)-5-(carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl]-7-nitro-1H-indole-2-carboxamide",""],["A1JCY","6,7-bis(bromanyl)-4,5-bis(fluoranyl)-1~{H}-benzotriazole","C6 H Br2 F2 N3","Fc1c(F)c2nn[nH]c2c(Br)c1Br;c12c(c(c(c(c1Br)Br)F)F)nn[nH]2","InChI=1S/C6HBr2F2N3/c7-1-2(8)5-6(12-13-11-5)4(10)3(1)9/h(H,11,12,13)","","2025-05-09","2026-01-09","6,7-bis(bromanyl)-4,5-bis(fluoranyl)-1~{H}-benzotriazole","2026-01-14"],["J4V","(1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide","C25 H25 F3 N2 O3","C1C3CC2CC(CC1C2)C3C(NC(c4ccc(cc4)c5cc(F)c(F)c(F)c5)C(=O)NO)=O;ONC(=O)[CH](NC(=O)C1C2CC3CC(C2)CC1C3)c4ccc(cc4)c5cc(F)c(F)c(F)c5;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5","InChI=1S/C25H25F3N2O3/c26-19-10-16(11-20(27)22(19)28)14-1-3-15(4-2-14)23(25(32)30-33)29-24(31)21-17-6-12-5-13(8-17)9-18(21)7-12/h1-4,10-13,17-18,21,23,33H,5-9H2,(H,29,31)(H,30,32)/t12-,13+,17-,18+,21-,23-/m1/s1","","2018-08-13","2018-12-21","(1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide","2018-12-26"],["YIS","1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea","C35 H34 Cl N7 O3 S2","Clc1c(O)ccc(c1)n2nc(cc2NC(=O)NCc6ccccc6Sc5cn3c(nnc3c4ccccc4SCCO)cc5)C(C)(C)C;CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc3ccc4nnc(n4c3)c5ccccc5SCCO)n(n1)c6ccc(O)c(Cl)c6;CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO","InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)","","2011-05-16","2011-11-25","1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea",""],["YIT","N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide","C21 H24 N6 O2","O=C(c2cc1cc(OC)ccc1n2)Nc3ccc(C(=NNC(=[N@H])N)CCC)cc3;CCCC(=NNC(N)=N)c1ccc(NC(=O)c2[nH]c3ccc(OC)cc3c2)cc1;CCCC(=NNC(=N)N)c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC","InChI=1S/C21H24N6O2/c1-3-4-18(26-27-21(22)23)13-5-7-15(8-6-13)24-20(28)19-12-14-11-16(29-2)9-10-17(14)25-19/h5-12,25H,3-4H2,1-2H3,(H,24,28)(H4,22,23,27)/b26-18+","","2011-05-16","2011-09-02","N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide",""],["A1JCZ","4,7-bis(bromanyl)-5,6-bis(fluoranyl)-1~{H}-benzotriazole","C6 H Br2 F2 N3","Fc1c(F)c(Br)c2nn[nH]c2c1Br;c12c(c(c(c(c1Br)F)F)Br)nn[nH]2","InChI=1S/C6HBr2F2N3/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6/h(H,11,12,13)","","2025-05-09","2026-01-09","4,7-bis(bromanyl)-5,6-bis(fluoranyl)-1~{H}-benzotriazole","2026-01-14"],["J4W","tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate","C12 H16 B N O4","O=C(Nc1cc2c(cc1)COB2O)OC(C)(C)C;CC(C)(C)OC(=O)Nc1ccc2COB(O)c2c1;B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O","InChI=1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)","","2016-09-28","2024-09-27","tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate","2017-01-11"],["A1JD0","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{S})-6-[bis(oxidanyl)amino]-6-methyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C27 H45 N O4","C[CH](CCCC(C)(C)N(O)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CCCC(C)(C)N(O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C27H45NO4/c1-18(8-6-14-26(3,4)28(31)32)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-32H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1","","2025-05-23","2026-04-03","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{S})-6-[bis(oxidanyl)amino]-6-methyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2026-04-08"],["YIU","N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide","C20 H18 N6 O2","O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CCCC1;O=C(Nc1cccc(c1)c2onc3ccc(cc23)c4n[nH]nn4)C5CCCC5;c1cc(cc(c1)NC(=O)C2CCCC2)c3c4cc(ccc4no3)c5n[nH]nn5","InChI=1S/C20H18N6O2/c27-20(12-4-1-2-5-12)21-15-7-3-6-13(10-15)18-16-11-14(19-22-25-26-23-19)8-9-17(16)24-28-18/h3,6-12H,1-2,4-5H2,(H,21,27)(H,22,23,25,26)","","2023-12-04","2024-12-06","N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide","2024-12-11"],["J4X","6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide","C22 H18 N6 O","O=C(Nc1ccccc1)c4cc(Nc2ncccn2)c3cc(C(=[N@H])N)ccc3c4;NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc4ccccc4;c1ccc(cc1)NC(=O)c2cc3ccc(cc3c(c2)Nc4ncccn4)C(=N)N","InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28)","","2014-02-26","2015-02-06","6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide","2015-02-11"],["J4Y","(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide","C12 H13 Cl N2 O2","N(NC(=O)C1C(C1)c2ccccc2)C(CCl)=O;ClCC(=O)NNC(=O)[CH]1C[CH]1c2ccccc2;c1ccc(cc1)C2CC2C(=O)NNC(=O)CCl","InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10+/m1/s1","","2018-08-13","2019-12-13","(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide","2019-12-18"],["YIV","N-butylformamide","C5 H11 N O","O=CNCCCC;CCCCNC=O;CCCCNC=O","InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)","","2011-05-17","2012-03-23","N-butylformamide",""],["A1JD1","N-benzyl-2-(2-chloro-N-(3-chloro-4-methoxyphenyl)acetamido)-2-(4-sulfamoylphenyl)acetamide","C24 H23 Cl2 N3 O5 S","COc1ccc(cc1Cl)N([CH](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)CCl;COc1ccc(cc1Cl)N(C(c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)CCl","InChI=1S/C24H23Cl2N3O5S/c1-34-21-12-9-18(13-20(21)26)29(22(30)14-25)23(17-7-10-19(11-8-17)35(27,32)33)24(31)28-15-16-5-3-2-4-6-16/h2-13,23H,14-15H2,1H3,(H,28,31)(H2,27,32,33)/t23-/m1/s1","(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(phenylmethyl)-2-(4-sulfamoylphenyl)ethanamide","2025-05-23","2026-03-27","(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(phenylmethyl)-2-(4-sulfamoylphenyl)ethanamide","2026-04-01"],["J4Z","N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C20 H15 N5","n4c(cc(Nc3cc2cc1ccccc1cc2cc3)n5ncnc45)C;Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n5ncnc5n1;Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3","InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3","","2009-07-17","2011-06-04","N-(anthracen-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",""],["YIW","1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea","C30 H33 N7 O S","O=C(Nc2cc(nn2c1ccccc1)C(C)(C)C)NCc5ccccc5Sc3cn4c(nnc4cc3)C(C)C;CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C)cn12;CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C","InChI=1S/C30H33N7OS/c1-20(2)28-34-33-26-16-15-23(19-36(26)28)39-24-14-10-9-11-21(24)18-31-29(38)32-27-17-25(30(3,4)5)35-37(27)22-12-7-6-8-13-22/h6-17,19-20H,18H2,1-5H3,(H2,31,32,38)","","2011-05-17","2011-11-25","1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea",""],["YIX","1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea","C19 H23 N5 O S","O=C(NCC)NCc3ccccc3Sc1cn2c(nnc2cc1)C(C)C;CCNC(=O)NCc1ccccc1Sc2ccc3nnc(C(C)C)n3c2;CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C","InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)","CE-159167","2011-05-17","2021-03-01","1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea",""],["J50","8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one","C20 H21 Cl N2 O3 S","ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl","InChI=1S/C20H21ClN2O3S/c21-12-18(24)22-10-8-20(9-11-22)23(19(25)14-27-20)13-16-6-7-17(26-16)15-4-2-1-3-5-15/h1-7H,8-14H2","","2021-04-09","2024-09-27","8-(2-chloranylethanoyl)-4-[(5-phenylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one","2022-02-16"],["YIY","(1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H-PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL)UREA","C25 H24 F N5 O2","Fc1cccc(c1)N4C(=N/C(=O)Nc3ccc(Oc2cccnc2)cc3)/C=C(N4)C(C)(C)C;CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Oc3cccnc3)cc2)N(N1)c4cccc(F)c4;CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Oc3cccnc3)N(N1)c4cccc(c4)F","InChI=1S/C25H24FN5O2/c1-25(2,3)22-15-23(31(30-22)19-7-4-6-17(26)14-19)29-24(32)28-18-9-11-20(12-10-18)33-21-8-5-13-27-16-21/h4-16,30H,1-3H3,(H,28,32)/b29-23+","","2011-05-17","2012-05-18","1-[(3E)-5-tert-butyl-2-(3-fluorophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-[4-(pyridin-3-yloxy)phenyl]urea",""],["A1JDL","~{N}-butyl-4-cyclohexylsulfanyl-3-sulfamoyl-benzamide","C17 H26 N2 O3 S2","CCCCNC(=O)c1ccc(SC2CCCCC2)c(c1)[S](N)(=O)=O;CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)SC2CCCCC2","InChI=1S/C17H26N2O3S2/c1-2-3-11-19-17(20)13-9-10-15(16(12-13)24(18,21)22)23-14-7-5-4-6-8-14/h9-10,12,14H,2-8,11H2,1H3,(H,19,20)(H2,18,21,22)","","2025-05-19","2025-10-03","~{N}-butyl-4-cyclohexylsulfanyl-3-sulfamoyl-benzamide","2025-10-08"],["J51","benzyl acetylcarbamate","C10 H11 N O3","N(C(OCc1ccccc1)=O)C(C)=O;CC(=O)NC(=O)OCc1ccccc1;CC(=O)NC(=O)OCc1ccccc1","InChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)","","2018-08-13","2024-09-27","benzyl acetylcarbamate","2019-12-18"],["YIZ","4-(acetamidomethyl)-N-hydroxybenzamide","C10 H12 N2 O3","ONC(=O)c1ccc(CNC(C)=O)cc1;CC(=O)NCc1ccc(cc1)C(=O)NO;CC(=O)NCc1ccc(cc1)C(=O)NO","InChI=1S/C10H12N2O3/c1-7(13)11-6-8-2-4-9(5-3-8)10(14)12-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14)","","2023-02-06","2023-12-08","4-(acetamidomethyl)-N-hydroxybenzamide","2023-12-13"],["J52","dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron","C4 Fe N2 Ni O2","[Ni]C#[O+].O=C=[Fe](C#N)C#N;C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+]","InChI=1S/2CN.2CO.Fe.Ni/c4*1-2;;/q;;;+1;;","","2019-01-25","2019-10-18","dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron","2019-10-23"],["A1JDM","[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-2-(phosphonooxymethyl)oxolan-3-yl]oxy-[2-[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethenyl]phosphinic acid","C21 H25 F N10 O10 P2","Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O3)C=C[P](O)(=O)O[CH]4[CH](F)[CH](O[CH]4CO[P](O)(O)=O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3CC(C(O3)C=CP(=O)(O)OC4C(OC(C4F)n5cnc6c5ncnc6N)COP(=O)(O)O)O)N","InChI=1S/C21H25FN10O10P2/c22-13-16(11(4-39-44(36,37)38)41-21(13)32-8-30-15-18(24)26-6-28-20(15)32)42-43(34,35)2-1-10-9(33)3-12(40-10)31-7-29-14-17(23)25-5-27-19(14)31/h1-2,5-13,16,21,33H,3-4H2,(H,34,35)(H2,23,25,27)(H2,24,26,28)(H2,36,37,38)","","2025-05-19","2026-01-16","[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-2-(phosphonooxymethyl)oxolan-3-yl]oxy-[2-[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethenyl]phosphinic acid","2026-01-21"],["YJ0","(2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C56 H92 O25","OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1;C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)CO[CH]9O[CH](CO)[CH](OC%10OC(CO)C(O)C(O)C%10O)[CH](O)[CH]9O;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)COC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1","InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,26-,28+,29-,30+,31+,32+,33?,34-,35-,36-,37+,38?,39-,40?,41+,42-,43-,44?,45-,46-,47-,48-,49-,50-,51-,52?,53-,54+,55+,56-/m1/s1","","2023-06-19","2023-06-30","(2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2023-07-05"],["A1JDQ","~{N}-[3-aminocarbonyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide","C19 H20 N6 O4","Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cn(nc3C(N)=O)C4CCOCC4;Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cn(nc3C(=O)N)C4CCOCC4","InChI=1S/C19H20N6O4/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27)","","2025-05-20","2025-09-26","~{N}-[3-aminocarbonyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide","2025-10-01"],["J53","(2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid","C33 H43 N O4","O=C(O)C(CC)Cc1cc(c(OCCCC)cc1)CNC(=O)c2ccc(cc2)C35CC4CC(CC(C3)C4)C5;CCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C34CC5CC(CC(C5)C3)C4;CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)CC(CC)C(=O)O","InChI=1S/C33H43NO4/c1-3-5-12-38-30-11-6-22(16-26(4-2)32(36)37)17-28(30)21-34-31(35)27-7-9-29(10-8-27)33-18-23-13-24(19-33)15-25(14-23)20-33/h6-11,17,23-26H,3-5,12-16,18-21H2,1-2H3,(H,34,35)(H,36,37)/t23-,24+,25-,26-,33-/m0/s1","","2012-07-24","2012-08-24","(2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid","2012-08-24"],["A1JDR","~{N}-[2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-1-(2-methylpyridin-4-yl)pyrazole-3-carboxamide","C25 H30 N6 O3","Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(CCC(C)(C)O)nc4cc3C(C)(C)O;Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(nc4cc3C(C)(C)O)CCC(C)(C)O","InChI=1S/C25H30N6O3/c1-16-12-18(6-9-26-16)31-10-7-20(29-31)23(32)27-22-13-17-15-30(11-8-24(2,3)33)28-21(17)14-19(22)25(4,5)34/h6-7,9-10,12-15,33-34H,8,11H2,1-5H3,(H,27,32)","","2025-05-20","2025-09-26","~{N}-[2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-1-(2-methylpyridin-4-yl)pyrazole-3-carboxamide","2025-10-01"],["J54","(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID","C11 H14 N2 O4","O=C(O)C(O)CNC(=O)NCc1ccccc1;O[CH](CNC(=O)NCc1ccccc1)C(O)=O;c1ccc(cc1)CNC(=O)NCC(C(=O)O)O","InChI=1S/C11H14N2O4/c14-9(10(15)16)7-13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1","","2007-06-13","2024-09-27","(2R)-3-[(benzylcarbamoyl)amino]-2-hydroxypropanoic acid",""],["YJ1","N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide","C19 H26 N4 O2","NCCC(=O)NC1CCC(CC1)NC(=O)c1cc2cccc(C)c2[NH]1;Cc1cccc2cc([nH]c12)C(=O)N[CH]3CC[CH](CC3)NC(=O)CCN;Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN","InChI=1S/C19H26N4O2/c1-12-3-2-4-13-11-16(23-18(12)13)19(25)22-15-7-5-14(6-8-15)21-17(24)9-10-20/h2-4,11,14-15,23H,5-10,20H2,1H3,(H,21,24)(H,22,25)/t14-,15-","","2021-03-10","2021-09-17","N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide","2021-09-22"],["A1JDY","4-hydroxypyridazine","C4 H4 N2 O","Oc1ccnnc1;c1cnncc1O","InChI=1S/C4H4N2O/c7-4-1-2-5-6-3-4/h1-3H,(H,5,7)","pyridazin-4-ol","2025-05-23","2025-11-14","pyridazin-4-ol","2025-11-19"],["J55","1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide","C18 H16 Br N7 O3 S","O=C(C1SCCN1C(Cn3c2ncccc2c(n3)C(N)=O)=O)Nc4nc(ccc4)Br;NC(=O)c1nn(CC(=O)N2CCS[CH]2C(=O)Nc3cccc(Br)n3)c4ncccc14;c1cc(nc(c1)Br)NC(=O)C2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N","InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1","","2016-09-15","2016-10-14","1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide","2016-10-19"],["YJ2","(2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE","C25 H25 Br Cl N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Br)cc3)CC4)C5;Clc1ccccc1[S](=O)(=O)[CH]2C[CH](N(C2)C(=O)C3(CC3)c4ccc(Br)cc4)C(=O)NC5(CC5)C=N;c1ccc(c(c1)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl","InChI=1S/C25H25BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1","","2011-05-18","2024-09-27","(4R)-1-{[1-(4-bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide",""],["A1JDZ","1~{H}-imidazole-2,4-diol","C3 H4 N2 O2","Oc1[nH]cc(O)n1;c1c(nc([nH]1)O)O","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","","2025-05-23","2025-11-14","1~{H}-imidazole-2,4-diol","2025-11-19"],["J56","(2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide","C18 H16 Br N5 O2 S","O=C(C1SCCN1C(=O)Cn3c2ccccc2cn3)Nc4nc(ccc4)Br;Brc1cccc(NC(=O)[CH]2SCCN2C(=O)Cn3ncc4ccccc34)n1;c1ccc2c(c1)cnn2CC(=O)N3CCSC3C(=O)Nc4cccc(n4)Br","InChI=1S/C18H16BrN5O2S/c19-14-6-3-7-15(21-14)22-17(26)18-23(8-9-27-18)16(25)11-24-13-5-2-1-4-12(13)10-20-24/h1-7,10,18H,8-9,11H2,(H,21,22,26)/t18-/m0/s1","","2016-09-15","2016-10-14","(2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide","2016-10-19"],["YJ3","(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole","C19 H18 N6 O2","c1c(ccc2noc(c12)c1cccc(OC2CCNCC2)c1)c1n[NH]nn1;C1CC(CCN1)Oc2cccc(c2)c3onc4ccc(cc34)c5n[nH]nn5;c1cc(cc(c1)OC2CCNCC2)c3c4cc(ccc4no3)c5n[nH]nn5","InChI=1S/C19H18N6O2/c1-2-12(10-15(3-1)26-14-6-8-20-9-7-14)18-16-11-13(19-21-24-25-22-19)4-5-17(16)23-27-18/h1-5,10-11,14,20H,6-9H2,(H,21,22,24,25)","","2023-12-04","2024-12-06","(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole","2024-12-11"],["J57","(~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid","C18 H18 O3","CC(C)c1cccc(c1)c2cc(C=CC(O)=O)ccc2O;CC(C)c1cccc(c1)c2cc(ccc2O)C=CC(=O)O","InChI=1S/C18H18O3/c1-12(2)14-4-3-5-15(11-14)16-10-13(6-8-17(16)19)7-9-18(20)21/h3-12,19H,1-2H3,(H,20,21)/b9-7+","","2016-12-06","2017-11-03","(~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid","2017-11-08"],["A1JE8","(3~{R},5~{S})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C12 H12 F N3 O2","O[CH]1CN[CH](C1)c2onc(n2)c3ccc(F)cc3;c1cc(ccc1c2nc(on2)C3CC(CN3)O)F","InChI=1S/C12H12FN3O2/c13-8-3-1-7(2-4-8)11-15-12(18-16-11)10-5-9(17)6-14-10/h1-4,9-10,14,17H,5-6H2/t9-,10+/m1/s1","","2025-06-03","2025-12-26","(3~{R},5~{S})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2025-12-31"],["YJ4","4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C18 H18 N6 O2","CCNc1nc2cccnc2c(n1)N1CC(=O)Nc2cc(ccc21)OC;CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4cc(OC)ccc34;CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC","InChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23)","","2021-03-10","2021-09-17","4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2021-09-22"],["A1JEB","6-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-2-(1~{H}-pyrazol-4-ylmethyl)isoquinolin-1-one","C21 H18 N6 O4 S","CN(C)c1ccc(c2nonc12)[S](=O)(=O)c3ccc4C(=O)N(Cc5c[nH]nc5)C=Cc4c3;CN(C)c1ccc(c2c1non2)S(=O)(=O)c3ccc4c(c3)C=CN(C4=O)Cc5c[nH]nc5","InChI=1S/C21H18N6O4S/c1-26(2)17-5-6-18(20-19(17)24-31-25-20)32(29,30)15-3-4-16-14(9-15)7-8-27(21(16)28)12-13-10-22-23-11-13/h3-11H,12H2,1-2H3,(H,22,23)","","2025-06-02","2026-04-03","6-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-2-(1~{H}-pyrazol-4-ylmethyl)isoquinolin-1-one","2026-04-08"],["YJ5","4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide","C17 H26 N2 O3","CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO;CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC;CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO","InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)","","2023-02-06","2023-12-08","4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide","2023-12-13"],["J58","3-bromanyl-2~{H}-indazol-5-amine","C7 H6 Br N3","Nc1ccc2n[nH]c(Br)c2c1;c1cc2c(cc1N)c([nH]n2)Br","InChI=1S/C7H6BrN3/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,9H2,(H,10,11)","","2019-01-25","2020-02-07","3-bromanyl-2~{H}-indazol-5-amine","2020-02-12"],["A1JEE","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(2~{S})-1-methylpyrrolidin-2-yl]pyridin-1-yl]oxane-3,4,5-triol","C16 H25 N2 O5","CN1CCC[CH]1c2ccc[n+](c2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;CN1CCCC1c2ccc[n+](c2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C16H25N2O5/c1-17-6-3-5-11(17)10-4-2-7-18(8-10)16-15(22)14(21)13(20)12(9-19)23-16/h2,4,7-8,11-16,19-22H,3,5-6,9H2,1H3/q+1/t11-,12+,13+,14-,15+,16+/m0/s1","","2025-06-03","2026-04-17","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(2~{S})-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-3,4,5-triol","2026-04-22"],["YJ6","4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide","C41 H41 Cl2 F2 N4 O3","Fc1ccc(CCNC(=O)c2oc(CN(C(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)c6ccc(F)cc6)cc2)cc1;c1ccc(cc1)CCC[N]2(CCN(CC2)C(=O)N(Cc3ccc(o3)C(=O)NCCc4ccc(cc4)F)c5ccc(cc5)F)Cc6ccc(c(c6)Cl)Cl","InChI=1S/C41H41Cl2F2N4O3/c42-37-18-10-32(27-38(37)43)29-49(24-4-7-30-5-2-1-3-6-30)25-22-47(23-26-49)41(51)48(35-15-13-34(45)14-16-35)28-36-17-19-39(52-36)40(50)46-21-20-31-8-11-33(44)12-9-31/h1-3,5-6,8-19,27H,4,7,20-26,28-29H2,(H,46,50)","-(3,4-Dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium","2023-06-19","2024-03-29","4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide","2024-04-03"],["J59","Brimonidine","C11 H10 Br N5","Brc1c(NC2=NCCN2)ccc3nccnc13;c1cc(c(c2c1nccn2)Br)NC3=NCCN3","InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)","","2021-04-09","2022-04-08","5-bromanyl-~{N}-(4,5-dihydro-1~{H}-imidazol-2-yl)quinoxalin-6-amine","2022-04-13"],["YJ7","4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C16 H15 N5 O3","COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1;COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4onc(C)c34;Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC","InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)","","2021-03-10","2021-09-17","4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2021-09-22"],["J5A","N-[(4-bromothiophen-2-yl)methyl]acetamide","C7 H8 Br N O S","CC(=O)NCc1cc(cs1)Br;CC(=O)NCc1scc(Br)c1;CC(=O)NCc1cc(cs1)Br","InChI=1S/C7H8BrNOS/c1-5(10)9-3-7-2-6(8)4-11-7/h2,4H,3H2,1H3,(H,9,10)","","2018-08-13","2024-09-27","N-[(4-bromothiophen-2-yl)methyl]acetamide","2019-12-18"],["J5B","(3R)-3-hydroxybutyl alpha-D-glucopyranoside","C10 H20 O7","C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(CCOC1C(C(C(C(O1)CO)O)O)O)O","InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol; reacted\n3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE; (3R)-3-hydroxybutyl alpha-D-glucoside; (3R)-3-hydroxybutyl D-glucoside;\n(3R)-3-hydroxybutyl glucoside","2019-01-26","2024-09-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol","2019-02-06"],["YJ8","(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide","C25 H25 Cl I N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(I)cc3)CC4)C5;Clc1ccccc1[S](=O)(=O)[CH]2C[CH](N(C2)C(=O)C3(CC3)c4ccc(I)cc4)C(=O)NC5(CC5)C=N;c1ccc(c(c1)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl","InChI=1S/C25H25ClIN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1","","2011-05-19","2024-09-27","(4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(4-iodophenyl)cyclopropyl]carbonyl}-L-prolinamide",""],["A1JEQ","methyl 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole-5-carboxylate","C13 H15 N3 O2","COC(=O)c1ccc2[nH]c(nc2c1)[CH]3CCNC3;COC(=O)c1ccc2c(c1)nc([nH]2)C3CCNC3","InChI=1S/C13H15N3O2/c1-18-13(17)8-2-3-10-11(6-8)16-12(15-10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16)/t9-/m0/s1","","2025-06-03","2025-12-26","methyl 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole-5-carboxylate","2025-12-31"],["A1JER","(3~{R})-3-[4-(5-chloranylthiophen-2-yl)-1~{H}-imidazol-2-yl]morpholine","C11 H12 Cl N3 O S","Clc1sc(cc1)c2c[nH]c(n2)[CH]3COCCN3;c1cc(sc1c2c[nH]c(n2)C3COCCN3)Cl","InChI=1S/C11H12ClN3OS/c12-10-2-1-9(17-10)7-5-14-11(15-7)8-6-16-4-3-13-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)","","2025-06-03","2025-12-26","(3~{R})-3-[4-(5-chloranylthiophen-2-yl)-1~{H}-imidazol-2-yl]morpholine","2025-12-31"],["J5C","Oxymetazoline","C16 H24 N2 O","Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C;Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C","InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)","","2021-04-09","2022-04-08","6-~{tert}-butyl-3-(4,5-dihydro-1~{H}-imidazol-2-ylmethyl)-2,4-dimethyl-phenol","2022-04-13"],["YJ9","(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide","C26 H25 Cl F3 N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(cc3)C(F)(F)F)CC4)C5;FC(F)(F)c1ccc(cc1)C2(CC2)C(=O)N3C[CH](C[CH]3C(=O)NC4(CC4)C=N)[S](=O)(=O)c5ccccc5Cl;c1ccc(c(c1)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl","InChI=1S/C26H25ClF3N3O4S/c27-19-3-1-2-4-21(19)38(36,37)18-13-20(22(34)32-24(15-31)9-10-24)33(14-18)23(35)25(11-12-25)16-5-7-17(8-6-16)26(28,29)30/h1-8,15,18,20,31H,9-14H2,(H,32,34)/b31-15+/t18-,20+/m1/s1","","2011-05-19","2024-09-27","(4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide",""],["A1JEU","methyl 2-[(1~{R})-1-(2,2-dimethylpropanoylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate","C12 H18 N2 O5","COC(=O)c1coc(n1)[CH](CO)NC(=O)C(C)(C)C;CC(C)(C)C(=O)NC(CO)c1nc(co1)C(=O)OC","InChI=1S/C12H18N2O5/c1-12(2,3)11(17)14-7(5-15)9-13-8(6-19-9)10(16)18-4/h6-7,15H,5H2,1-4H3,(H,14,17)/t7-/m1/s1","","2025-06-03","2025-12-26","methyl 2-[(1~{R})-1-(2,2-dimethylpropanoylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate","2025-12-31"],["YJA","2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-3-yl]-N-(3-fluorophenyl)ethanamide","C26 H30 F N7 O3","O=C(Nc1cccc(F)c1)Cc4nnc(Nc3ncnc2c3ccc(OCCCN(CC)CCO)c2)c4;CCN(CCO)CCCOc1ccc2c(Nc3[nH]nc(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1;CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO","InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)","","2013-08-20","2014-09-05","2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide","2014-02-26"],["J5D","N-[(4-fluoro-3-methylphenyl)methyl]acetamide","C10 H12 F N O","CC(=O)NCc1cc(c(cc1)F)C;CC(=O)NCc1ccc(F)c(C)c1;Cc1cc(ccc1F)CNC(=O)C","InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)","","2018-08-13","2024-09-27","N-[(4-fluoro-3-methylphenyl)methyl]acetamide","2019-12-18"],["YJB","(3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","C19 H10 Cl2 N6 O2","Clc1cc(Cl)cnc1Oc1cccc(c1)c1onc2ccc(cc12)c1nnn[NH]1;Clc1cnc(Oc2cccc(c2)c3onc4ccc(cc34)c5[nH]nnn5)c(Cl)c1;c1cc(cc(c1)Oc2c(cc(cn2)Cl)Cl)c3c4cc(ccc4no3)c5[nH]nnn5","InChI=1S/C19H10Cl2N6O2/c20-12-8-15(21)19(22-9-12)28-13-3-1-2-10(6-13)17-14-7-11(18-23-26-27-24-18)4-5-16(14)25-29-17/h1-9H,(H,23,24,26,27)","","2023-12-04","2024-12-06","(3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","2024-12-11"],["A1JEV","(2~{S})-1-[(1~{R})-1-(4-chlorophenyl)-2-(methylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid","C14 H17 Cl N2 O3","CNC(=O)[CH](N1CCC[CH]1C(O)=O)c2ccc(Cl)cc2;CNC(=O)C(c1ccc(cc1)Cl)N2CCCC2C(=O)O","InChI=1S/C14H17ClN2O3/c1-16-13(18)12(9-4-6-10(15)7-5-9)17-8-2-3-11(17)14(19)20/h4-7,11-12H,2-3,8H2,1H3,(H,16,18)(H,19,20)/t11?,12-/m0/s1","","2025-06-03","2025-12-26","(2~{S})-1-[(1~{R})-1-(4-chlorophenyl)-2-(methylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid","2025-12-31"],["J5E","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H21 F2 N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)c(F)c4)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O","InChI=1S/C21H21F2N3O4S/c1-11-2-5-13(6-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-4-7-14(22)15(23)8-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-07-10"],["J5F","(1R,2R)-N-[(2S,3S)-2-azanyl-3-methyl-pentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide","C30 H37 N3 O","CCCc1ccc(cc1)c2ccc(cc2)N(C[CH](N)[CH](C)CC)C(=O)[CH]3C[CH]3c4ccccn4;CCCc1ccc(cc1)c2ccc(cc2)N(CC(C(C)CC)N)C(=O)C3CC3c4ccccn4","InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1","","2021-04-09","2022-04-18","(1~{R},2~{R})-~{N}-[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]-~{N}-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide","2022-04-13"],["YJC","(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide","C25 H25 Cl2 N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5;Clc1ccc(cc1)C2(CC2)C(=O)N3C[CH](C[CH]3C(=O)NC4(CC4)C=N)[S](=O)(=O)c5ccccc5Cl;c1ccc(c(c1)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)c4ccc(cc4)Cl)C(=O)NC5(CC5)C=N)Cl","InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1","","2011-05-19","2011-11-21","(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide",""],["A1JEY","2-pyridin-4-yl-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole","C11 H12 N4 O","C1C[CH](CN1)c2oc(nn2)c3ccncc3;c1cnccc1c2nnc(o2)C3CCNC3","InChI=1S/C11H12N4O/c1-4-12-5-2-8(1)10-14-15-11(16-10)9-3-6-13-7-9/h1-2,4-5,9,13H,3,6-7H2/t9-/m1/s1","","2025-06-03","2025-12-26","2-pyridin-4-yl-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole","2025-12-31"],["A1JEZ","2-(4-chlorophenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole","C12 H12 Cl N3 O","Clc1ccc(cc1)c2oc(nn2)[CH]3CCNC3;c1cc(ccc1c2nnc(o2)C3CCNC3)Cl","InChI=1S/C12H12ClN3O/c13-10-3-1-8(2-4-10)11-15-16-12(17-11)9-5-6-14-7-9/h1-4,9,14H,5-7H2/t9-/m0/s1","","2025-06-03","2025-12-26","2-(4-chlorophenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole","2025-12-31"],["J5G","N-(5-methyl-1,2-oxazol-3-yl)acetamide","C6 H8 N2 O2","c1(C)onc(NC(=O)C)c1;CC(=O)Nc1cc(C)on1;Cc1cc(no1)NC(=O)C","InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)","","2018-08-13","2024-09-27","N-(5-methyl-1,2-oxazol-3-yl)acetamide","2019-12-18"],["YJD","4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL","C16 H16 N2 O2","n2c1ccccc1n(c2OC(C)C)c3ccc(O)cc3;CC(C)Oc1nc2ccccc2n1c3ccc(O)cc3;CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O","InChI=1S/C16H16N2O2/c1-11(2)20-16-17-14-5-3-4-6-15(14)18(16)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3","","2011-05-19","2014-09-05","4-[2-(propan-2-yloxy)-1H-benzimidazol-1-yl]phenol",""],["J5H","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate","C32 H42 N7 O17 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O","InChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26+,30-/m1/s1","","2019-01-30","2019-05-10","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate","2019-05-15"],["YJE","4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid","C11 H12 O4","OC(C)(C(C)=O)c1ccc(cc1)C(=O)O;CC(=O)[C](C)(O)c1ccc(cc1)C(O)=O;CC(=O)C(C)(c1ccc(cc1)C(=O)O)O","InChI=1S/C11H12O4/c1-7(12)11(2,15)9-5-3-8(4-6-9)10(13)14/h3-6,15H,1-2H3,(H,13,14)/t11-/m1/s1","","2023-02-07","2023-05-12","4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid","2023-05-17"],["A1JFA","3-(4-methoxyphenyl)-4-[(1~{S})-1-oxidanylethyl]-1,2-oxazole-5-carboxylic acid","C13 H13 N O5","COc1ccc(cc1)c2noc(C(O)=O)c2[CH](C)O;CC(c1c(noc1C(=O)O)c2ccc(cc2)OC)O","InChI=1S/C13H13NO5/c1-7(15)10-11(14-19-12(10)13(16)17)8-3-5-9(18-2)6-4-8/h3-7,15H,1-2H3,(H,16,17)/t7-/m0/s1","","2025-06-03","2025-12-26","3-(4-methoxyphenyl)-4-[(1~{S})-1-oxidanylethyl]-1,2-oxazole-5-carboxylic acid","2025-12-31"],["YJF","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol","C20 H27 N3 O11 S2","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)S(=O)(=O)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O","InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1","","2023-06-19","2023-11-03","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol","2023-11-08"],["J5I","3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE","C10 H9 N O","CC1=Cc2ccccc2NC1=O;CC1=Cc2ccccc2NC1=O","InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)","","2015-06-20","2015-07-17","3-methyl-1H-quinolin-2-one","2015-07-22"],["A1JFD","2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid","C4 H8 O10 V2","OC(=O)C[CH]1[O+]2[V](O)(O)O[V]2(O)(O)OC1=O;C(C1C(=O)O[V]2([O+]1[V](O2)(O)O)(O)O)C(=O)O","InChI=1S/C4H5O5.4H2O.O.2V/c5-2(4(8)9)1-3(6)7;;;;;;;/h2H,1H2,(H,6,7)(H,8,9);4*1H2;;;/q+1;;;;;;+2;+3/p-5/t2-;;;;;;;/m0......./s1","dioxovanadium(V) complex of malic acid","2025-06-04","2025-08-08","2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,7-dioxa-5-oxonia-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid","2025-08-13"],["YJG","2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide","C20 H20 Cl N5 O4 S","O=C(CN1N=CC=C(Cl)C1=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1;Cc1ccc(NC(=O)CN2N=CC=C(Cl)C2=O)cc1[S](=O)(=O)NCCc3ccccn3;Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl","InChI=1S/C20H20ClN5O4S/c1-14-5-6-16(25-19(27)13-26-20(28)17(21)8-10-23-26)12-18(14)31(29,30)24-11-7-15-4-2-3-9-22-15/h2-6,8-10,12,24H,7,11,13H2,1H3,(H,25,27)","","2021-03-10","2024-09-27","2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide","2021-03-17"],["J5J","N-[(E)-(3-methylphenyl)methylidene]acetamide","C10 H11 N O","CC(=O)N=[C@H]c1cc(ccc1)C;CC(=O)N=Cc1cccc(C)c1;Cc1cccc(c1)C=NC(=O)C","InChI=1S/C10H11NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+","","2018-08-13","2024-09-27","N-[(E)-(3-methylphenyl)methylidene]acetamide","2019-12-18"],["A1JFJ","2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one","C13 H15 N5 O","CC1=CC(=O)N=C(NN=C(C)c2ccc(N)cc2)N1;CC1=CC(=O)N=C(N1)NN=C(C)c2ccc(cc2)N","InChI=1S/C13H15N5O/c1-8-7-12(19)16-13(15-8)18-17-9(2)10-3-5-11(14)6-4-10/h3-7H,14H2,1-2H3,(H2,15,16,18,19)/b17-9+","","2025-06-04","2025-09-19","2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one","2025-09-24"],["YJH","(3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","C23 H24 N6 O","c1c(ccc2noc(c12)c1cccc(c1)C1CCN(CC1)C1CCC1)c1nnn[NH]1;C1CC(C1)N2CCC(CC2)c3cccc(c3)c4onc5ccc(cc45)c6[nH]nnn6;c1cc(cc(c1)C2CCN(CC2)C3CCC3)c4c5cc(ccc5no4)c6[nH]nnn6","InChI=1S/C23H24N6O/c1-3-16(15-9-11-29(12-10-15)19-5-2-6-19)13-17(4-1)22-20-14-18(23-24-27-28-25-23)7-8-21(20)26-30-22/h1,3-4,7-8,13-15,19H,2,5-6,9-12H2,(H,24,25,27,28)","","2023-12-04","2024-12-06","(3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole","2024-12-11"],["J5K","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide","C20 H25 N5 O2","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(N)nc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(nc3)N)N","InChI=1S/C20H25N5O2/c21-16(11-14-5-2-1-3-6-14)20(27)25-10-4-7-17(25)19(26)24-13-15-8-9-18(22)23-12-15/h1-3,5-6,8-9,12,16-17H,4,7,10-11,13,21H2,(H2,22,23)(H,24,26)/t16-,17+/m1/s1","D-Phe-Pro-p-aminopyridine","2019-01-31","2021-03-01","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide","2020-02-19"],["A1JFU","2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-propan-1-amine","C10 H13 F2 N O","CC(C)(CN)Oc1cc(F)cc(F)c1;CC(C)(CN)Oc1cc(cc(c1)F)F","InChI=1S/C10H13F2NO/c1-10(2,6-13)14-9-4-7(11)3-8(12)5-9/h3-5H,6,13H2,1-2H3","","2025-06-05","2025-10-24","2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-propan-1-amine","2025-10-29"],["J5L","(3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H43 N5 O10 S","O=S(=O)(c2cc1OC(=N/C)Nc1cc2)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCC(=O)NC)COC4OC3)Cc5ccccc5;CNC(=O)CO[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc5NC(Oc5c4)=NC)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)OC(=NC)N5","InChI=1S/C32H43N5O10S/c1-19(2)14-37(48(41,42)21-10-11-22-25(13-21)46-31(34-4)35-22)15-24(38)23(12-20-8-6-5-7-9-20)36-32(40)47-27-17-45-30-29(27)26(16-44-30)43-18-28(39)33-3/h5-11,13,19,23-24,26-27,29-30,38H,12,14-18H2,1-4H3,(H,33,39)(H,34,35)(H,36,40)/t23-,24+,26-,27-,29-,30+/m0/s1","","2015-02-05","2015-05-01","(3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2015-05-06"],["YJI","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide","C13 H27 N2 O8 P S","O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSCCO;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCO)O","InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1","","2023-02-08","2024-09-27","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide","2023-06-14"],["A1JFV","~{N}-[3-(aminomethyl)phenyl]-4-fluoranyl-benzamide","C14 H13 F N2 O","NCc1cccc(NC(=O)c2ccc(F)cc2)c1;c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CN","InChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9,16H2,(H,17,18)","","2025-06-05","2025-10-24","~{N}-[3-(aminomethyl)phenyl]-4-fluoranyl-benzamide","2025-10-29"],["J5M","N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide","C12 H10 F3 N O","CC(=O)NCC#Cc1cccc(C(F)(F)F)c1;CC(=O)NCC#Cc1cccc(c1)C(F)(F)F;CC(=O)NCC#Cc1cccc(c1)C(F)(F)F","InChI=1S/C12H10F3NO/c1-9(17)16-7-3-5-10-4-2-6-11(8-10)12(13,14)15/h2,4,6,8H,7H2,1H3,(H,16,17)","","2018-08-13","2024-09-27","N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide","2019-12-18"],["YJJ","N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","C26 H24 Cl N7 O4","N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(C)C(=O)c12;CN1C=Nc2n(CC(=O)Nc3cc(ncc3Cl)N4CCOCC4)cc(c5cc(C)c(O)c(c5)C#N)c2C1=O;Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5","InChI=1S/C26H24ClN7O4/c1-15-7-16(8-17(10-28)24(15)36)18-12-34(25-23(18)26(37)32(2)14-30-25)13-22(35)31-20-9-21(29-11-19(20)27)33-3-5-38-6-4-33/h7-9,11-12,14,36H,3-6,13H2,1-2H3,(H,29,31,35)","","2021-03-11","2022-03-11","N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","2022-03-16"],["YJK","4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide","C35 H38 Cl2 F N4 O3","Fc1ccc(CCNC(=O)c2oc(CNC(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)cc2)cc1;c1ccc(cc1)CCC[N]2(CCN(CC2)C(=O)NCc3ccc(o3)C(=O)NCCc4ccc(cc4)F)Cc5ccc(c(c5)Cl)Cl","InChI=1S/C35H38Cl2FN4O3/c36-31-14-10-28(23-32(31)37)25-42(20-4-7-26-5-2-1-3-6-26)21-18-41(19-22-42)35(44)40-24-30-13-15-33(45-30)34(43)39-17-16-27-8-11-29(38)12-9-27/h1-3,5-6,8-15,23H,4,7,16-22,24-25H2,(H,39,43)(H,40,44)","","2023-06-19","2024-03-29","4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide","2024-04-03"],["A1JFW","methoxybenzene","C7 H8 O","COc1ccccc1;COc1ccccc1","InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3","","2025-06-05","2026-03-27","methoxybenzene","2026-04-01"],["J5N","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","C29 H36 F N5 O4 S","CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](C#C)[CH]5OC[CH](O)[CH]45;CC(C)CC(C(=O)N1CC(C2C1C(CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F","InChI=1S/C29H36FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21-22,24-25,36H,10-16H2,2-4H3,(H,31,37)/t18-,21+,22+,24-,25-/m1/s1","","2019-02-01","2024-09-27","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","2020-02-19"],["A1JFZ","(3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone","C13 H20 N2 O2","CNC[CH]1CCCN1C(=O)c2oc(C)cc2C;Cc1cc(oc1C(=O)N2CCCC2CNC)C","InChI=1S/C13H20N2O2/c1-9-7-10(2)17-12(9)13(16)15-6-4-5-11(15)8-14-3/h7,11,14H,4-6,8H2,1-3H3/t11-/m0/s1","","2025-06-06","2025-10-24","(3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone","2025-10-29"],["YJM","2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose","C6 H13 N O11 S2","C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O;C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O","InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1","2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose;\n2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose","2016-08-25","2020-08-11","2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose","2018-02-21"],["J5P","N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide","C8 H14 N2 O4 S","CC(=O)NNC(=O)CC1CCS(=O)(=O)C1;CC(=O)NNC(=O)C[CH]1CC[S](=O)(=O)C1;CC(=O)NNC(=O)CC1CCS(=O)(=O)C1","InChI=1S/C8H14N2O4S/c1-6(11)9-10-8(12)4-7-2-3-15(13,14)5-7/h7H,2-5H2,1H3,(H,9,11)(H,10,12)/t7-/m0/s1","","2018-08-13","2024-09-27","N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide","2019-12-18"],["J5Q","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H22 F N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cccc(c4)F)O","InChI=1S/C21H22FN3O4S/c1-12-5-7-15(8-6-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-3-2-4-14(22)9-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-07-10"],["A1JG8","methyl 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanoate","C12 H10 Cl N5 O2","COC(=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23;COC(=O)Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl","InChI=1S/C12H10ClN5O2/c1-20-10(19)6-18-5-9(16-17-18)11-7-2-3-14-12(7)15-4-8(11)13/h2-5H,6H2,1H3,(H,14,15)","","2025-06-17","2026-02-06","methyl 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanoate","2026-02-11"],["YJN","N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide","C21 H16 N2 O4","OC=1C(=O)C=C(C)OC=1C(=O)NCc1ccc(cc1)c1ccccc1C#N;CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O;CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O","InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-22/h2-10,25H,12H2,1H3,(H,23,26)","","2023-02-08","2023-06-23","N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide","2023-06-28"],["A1JGB","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide","C21 H20 N2 O S","O=C(Cc1cccnc1)N(Cc2sccc2)C3Cc4ccccc4C3;c1ccc2c(c1)CC(C2)N(Cc3cccs3)C(=O)Cc4cccnc4","InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2","","2025-06-11","2025-07-04","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide","2025-07-09"],["YJO","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol","C20 H28 N3 O10 S2","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S+](O)c4ccccc4)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)[S+](c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O)O","InChI=1S/C20H28N3O10S2/c24-7-10-14(26)13(23-6-12(21-22-23)35(31)9-4-2-1-3-5-9)16(28)19(32-10)34-20-18(30)17(29)15(27)11(8-25)33-20/h1-6,10-11,13-20,24-31H,7-8H2/q+1/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+,35-/m1/s1","","2023-06-19","2023-11-03","[1-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]-1,2,3-triazol-4-yl]-oxidanyl-phenyl-sulfanium","2023-11-08"],["J5R","8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid","C14 H7 Cl O4","OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1;c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O","InChI=1S/C14H7ClO4/c15-9-2-1-3-10-12(9)13(16)8-5-4-7(14(17)18)6-11(8)19-10/h1-6H,(H,17,18)","","2021-04-12","2021-10-08","8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid","2021-10-13"],["J5S","N-[(E)-(4-methylphenyl)methylidene]acetamide","C10 H11 N O","c1c(C=NC(=O)C)ccc(c1)C;CC(=O)N=Cc1ccc(C)cc1;Cc1ccc(cc1)C=NC(=O)C","InChI=1S/C10H11NO/c1-8-3-5-10(6-4-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+","","2018-08-13","2024-09-27","N-[(E)-(4-methylphenyl)methylidene]acetamide","2019-12-18"],["YJQ","N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide","C18 H14 N6 O2","O=C(Nc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1)C1CC1;O=C(Nc1ccc(cc1)c2onc3ccc(cc23)c4[nH]nnn4)C5CC5;c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)NC(=O)C5CC5","InChI=1S/C18H14N6O2/c25-18(11-1-2-11)19-13-6-3-10(4-7-13)16-14-9-12(17-20-23-24-21-17)5-8-15(14)22-26-16/h3-9,11H,1-2H2,(H,19,25)(H,20,21,23,24)","","2023-12-04","2024-12-06","N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide","2024-12-11"],["A1JGE","2-pyridin-3-ylquinazoline","C13 H9 N3","c1ccc2nc(ncc2c1)c3cccnc3;c1ccc2c(c1)cnc(n2)c3cccnc3","InChI=1S/C13H9N3/c1-2-6-12-10(4-1)9-15-13(16-12)11-5-3-7-14-8-11/h1-9H","","2025-06-11","2025-07-04","2-pyridin-3-ylquinazoline","2025-07-09"],["YJR","(1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide","C24 H18 F2 N4 O2","Fc1cc(cc(F)c1CNC(=O)C1=NN(c2cnccc2)C(C)=CC1=O)c1ccccc1;CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(F)cc(cc3F)c4ccccc4;CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(cc(cc3F)c4ccccc4)F","InChI=1S/C24H18F2N4O2/c1-15-10-22(31)23(29-30(15)18-8-5-9-27-13-18)24(32)28-14-19-20(25)11-17(12-21(19)26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,28,32)","","2023-02-08","2023-06-23","(1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide","2023-06-28"],["A1JGF","[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine","C18 H17 Cl N6","NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1;c1ccc(cc1)Cn2c3ccc(cc3nc2Cn4cnc(n4)CN)Cl","InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2","","2025-06-11","2025-07-04","[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine","2025-07-09"],["J5T","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","C27 H35 Cl F N5 O4 S","CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](Cl)[CH]5OC[CH](O)[CH]45;CC(C)CC(C(=O)N1CC(C2C1C(CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F","InChI=1S/C27H35ClFN5O4S/c1-15(2)12-19(26(37)34-13-18(28)23-22(34)20(35)14-38-23)30-25(36)17-6-4-16(5-7-17)21-24(29)39-27(31-21)33-10-8-32(3)9-11-33/h4-7,15,18-20,22-23,35H,8-14H2,1-3H3,(H,30,36)/t18-,19+,20+,22-,23-/m1/s1","","2019-02-01","2024-09-27","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","2020-02-19"],["J5U","2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","C29 H37 N9 S","CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(CCN5CCN(C)CC5)nc4;CCCN(c1cc(ccc1C)c2ccc(nc2)CCN3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N","InChI=1S/C29H37N9S/c1-4-10-38(29-33-24(19-39-29)28-34-26(30)17-27(31)35-28)25-16-21(6-5-20(25)2)22-7-8-23(32-18-22)9-11-37-14-12-36(3)13-15-37/h5-8,16-19H,4,9-15H2,1-3H3,(H4,30,31,34,35)","","2022-04-25","2023-06-02","2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","2023-06-07"],["YJS","3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide","C26 H25 Cl2 N7 O5","NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2N=CN(C)C(=O)c12;C[CH]1COCCN1c2cc(NC(=O)Cn3cc(c4cc(Cl)c(O)c(c4)C(N)=O)c5C(=O)N(C)C=Nc35)c(Cl)cn2;CC1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N","InChI=1S/C26H25Cl2N7O5/c1-13-11-40-4-3-35(13)20-7-19(18(28)8-30-20)32-21(36)10-34-9-16(22-25(34)31-12-33(2)26(22)39)14-5-15(24(29)38)23(37)17(27)6-14/h5-9,12-13,37H,3-4,10-11H2,1-2H3,(H2,29,38)(H,30,32,36)/t13-/m0/s1","","2021-03-11","2022-03-11","3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide","2022-03-16"],["A1JGR","1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea","C17 H27 N3 O2","Cc1onc(CN(CCC2CCCCC2)C(=O)NC3CC3)c1;Cc1cc(no1)CN(CCC2CCCCC2)C(=O)NC3CC3","InChI=1S/C17H27N3O2/c1-13-11-16(19-22-13)12-20(17(21)18-15-7-8-15)10-9-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,18,21)","","2025-06-12","2025-07-04","1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea","2025-07-09"],["YJT","6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one","C14 H12 F2 N2 O5 Ru2","O[Ru]12OC(=O)O[Ru]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4;c1cc(ccc1N2CN([Ru]3([Ru]2(OC(=O)O3)O)O)c4ccc(cc4)F)F","InChI=1S/C13H10F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2-1(3)4;;;;/h1-8H,9H2;(H2,2,3,4);2*1H2;;/q-2;;;;2*+3/p-4","","2023-06-19","2023-07-14","6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one","2023-07-19"],["J5V","N-(3-phenylprop-2-yn-1-yl)acetamide","C11 H11 N O","C(c1ccccc1)#CCNC(=O)C;CC(=O)NCC#Cc1ccccc1;CC(=O)NCC#Cc1ccccc1","InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13)","","2018-08-13","2024-09-27","N-(3-phenylprop-2-yn-1-yl)acetamide","2019-12-18"],["A1JGU","3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione","C16 H14 Br N3 O2","C[CH](N1CC(=O)N(C1=O)c2cncc(Br)c2)c3ccccc3;CC(c1ccccc1)N2CC(=O)N(C2=O)c3cc(cnc3)Br","InChI=1S/C16H14BrN3O2/c1-11(12-5-3-2-4-6-12)19-10-15(21)20(16(19)22)14-7-13(17)8-18-9-14/h2-9,11H,10H2,1H3/t11-/m1/s1","","2025-06-12","2025-07-04","3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione","2025-07-09"],["J5W","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H22 F N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4F)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4ccccc4F)O","InChI=1S/C21H22FN3O4S/c1-12-6-8-13(9-7-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)14-4-2-3-5-15(14)22/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-07-10"],["YJU","N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide","C24 H27 F3 N4 O3","FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)C1CCC(CO)CC1;CC(C)(O)c1cc2nn(cc2cc1NC(=O)c3cccc(n3)C(F)(F)F)[CH]4CC[CH](CO)CC4;CC(C)(c1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)C4CCC(CC4)CO)O","InChI=1S/C24H27F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-5,10-12,14,16,32,34H,6-9,13H2,1-2H3,(H,29,33)/t14-,16-","","2023-12-04","2024-06-28","N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide","2024-07-03"],["A1JGV","1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione","C15 H10 Br F2 N3 O2","Fc1ccc(CN2CC(=O)N(C2=O)c3cncc(Br)c3)cc1F;c1cc(c(cc1CN2CC(=O)N(C2=O)c3cc(cnc3)Br)F)F","InChI=1S/C15H10BrF2N3O2/c16-10-4-11(6-19-5-10)21-14(22)8-20(15(21)23)7-9-1-2-12(17)13(18)3-9/h1-6H,7-8H2","","2025-06-12","2025-07-04","1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione","2025-07-09"],["J5X","Gibberellin A9","C19 H24 O4","C[C]12CCC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O;CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O","InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1","","2021-04-13","2022-02-11","","2022-02-16"],["YJV","N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide","C15 H13 Cl N4 O2","Clc1cnccc1NC(=O)Cn1ccc2c1C=CN(C)C2=O;CN1C=Cc2n(CC(=O)Nc3ccncc3Cl)ccc2C1=O;CN1C=Cc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O","InChI=1S/C15H13ClN4O2/c1-19-6-4-13-10(15(19)22)3-7-20(13)9-14(21)18-12-2-5-17-8-11(12)16/h2-8H,9H2,1H3,(H,17,18,21)","","2021-03-11","2022-08-12","N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide","2022-08-17"],["A1JGY","~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-chloranyl-3-oxidanyl-pyridine-2-carboxamide","C27 H31 Cl N4 O8","CCC(C)=C1OC(=O)[CH](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3nccc(Cl)c3O)[CH](C)OC1=O;CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(c(ccn3)Cl)O)C)C","InChI=1S/C27H31ClN4O8/c1-5-13(2)23-27(38)39-15(4)19(32-25(36)20-22(34)17(28)8-10-30-20)24(35)31-18(11-16-7-6-9-29-12-16)21(33)14(3)26(37)40-23/h6-10,12,14-15,18-19,21,33-34H,5,11H2,1-4H3,(H,31,35)(H,32,36)/b23-13-","","2025-06-16","2026-02-06","~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-chloranyl-3-oxidanyl-pyridine-2-carboxamide","2026-02-11"],["J5Y","Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide","C34 H32 Cl F N6 O2","O=C(Nc1ccncc1)C(NC(=O)c4ccc(N3CCN(c2c(ccc(Cl)c2)C)CC3)cc4F)Cc6c5ccccc5nc6;Cc1ccc(Cl)cc1N2CCN(CC2)c3ccc(c(F)c3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(=O)Nc6ccncc6;Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl","InChI=1S/C34H32ClFN6O2/c1-22-6-7-24(35)19-32(22)42-16-14-41(15-17-42)26-8-9-28(29(36)20-26)33(43)40-31(34(44)39-25-10-12-37-13-11-25)18-23-21-38-30-5-3-2-4-27(23)30/h2-13,19-21,31,38H,14-18H2,1H3,(H,40,43)(H,37,39,44)/t31-/m1/s1","","2014-08-08","2014-11-21","Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide","2014-11-26"],["YJW","4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL","C16 H13 N O3","Oc3cc(O)c(c1noc(c1c2ccccc2)C)cc3;Cc1onc(c2ccc(O)cc2O)c1c3ccccc3;Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3","InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3","","2011-05-24","2011-10-14","4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol",""],["A1JGZ","~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-oxidanyl-pyrazine-2-carboxamide","C26 H31 N5 O8","CCC(C)=C1OC(=O)[CH](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3nccnc3O)[CH](C)OC1=O;CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(nccn3)O)C)C","InChI=1S/C26H31N5O8/c1-5-13(2)21-26(37)38-15(4)18(31-24(35)19-22(33)29-10-9-28-19)23(34)30-17(11-16-7-6-8-27-12-16)20(32)14(3)25(36)39-21/h6-10,12,14-15,17-18,20,32H,5,11H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)/b21-13-","","2025-06-16","2026-02-06","~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-oxidanyl-pyrazine-2-carboxamide","2026-02-11"],["YJX","1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one","C18 H14 N4 O","O=C2c1ccccc1C=5N2CCCC=5c4nc3ccncc3n4;O=C1N2CCCC(=C2c3ccccc13)c4[nH]c5cnccc5n4;c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4","InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)","","2011-05-24","2011-10-14","1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one",""],["J5Z","5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C13 H10 F3 N5","FC(F)(F)c1ccc(cc1)Nc2cc(nc3ncnn23)C;Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1;Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3","","2009-07-17","2011-06-04","5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine",""],["J60","5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE","C22 H27 Cl N4 O2","O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(Cl)ccc2NC3=O)C;CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(Cl)cc23)c1C;CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)Cl)C","InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-","","2006-11-29","2011-06-04","5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide",""],["A1JH7","(1~{S})-1-[4-(cyclopropylmethoxy)-3-fluoranyl-phenyl]ethanamine","C12 H16 F N O","C[CH](N)c1ccc(OCC2CC2)c(F)c1;CC(c1ccc(c(c1)F)OCC2CC2)N","InChI=1S/C12H16FNO/c1-8(14)10-4-5-12(11(13)6-10)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3/t8-/m0/s1","","2025-06-25","2025-10-10","(1~{S})-1-[4-(cyclopropylmethoxy)-3-fluoranyl-phenyl]ethanamine","2025-10-15"],["YJY","(6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","C32 H32 F6 N4 O3","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(cc(c3)C(F)(F)F)C(F)(F)F)n(C3CCC(OC)CC3)c2cc1;CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6cc(cc(c6)C(F)(F)F)C(F)(F)F;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6cc(cc(c6)C(F)(F)F)C(F)(F)F","InChI=1S/C32H32F6N4O3/c1-17-29(18(2)45-40-17)19-7-12-26-25(13-19)39-30(42(26)22-8-10-24(44-3)11-9-22)27-5-4-6-28(43)41(27)23-15-20(31(33,34)35)14-21(16-23)32(36,37)38/h7,12-16,22,24,27H,4-6,8-11H2,1-3H3/t22-,24+,27-/m0/s1","","2023-02-08","2024-02-02","(6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","2024-02-07"],["A1JHA","6-[(3-fluorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione","C15 H11 F N2 O3","Fc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1;c1cc(cc(c1)F)COc2ccc3c(c2)C(=O)NNC3=O","InChI=1S/C15H11FN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2,(H,17,19)(H,18,20)","","2025-06-17","2025-09-12","6-[(3-fluorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione","2025-09-17"],["YJZ","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid","C24 H26 N4 O5","COc1cc(ccn1)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O;CC(c1cccc2c1[nH]c(c2c3ccnc(c3)OC)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C24H26N4O5/c1-13(28-12-24(33-23(28)31)9-14(10-24)11-25)16-4-3-5-17-19(21(22(29)30)27-20(16)17)15-6-7-26-18(8-15)32-2/h3-8,13-14,27H,9-12,25H2,1-2H3,(H,29,30)/t13-,14-,24-/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["J61","N'-acetyl-2-chlorobenzohydrazide","C9 H9 Cl N2 O2","N(C(c1ccccc1Cl)=O)NC(=O)C;CC(=O)NNC(=O)c1ccccc1Cl;CC(=O)NNC(=O)c1ccccc1Cl","InChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-4-2-3-5-8(7)10/h2-5H,1H3,(H,11,13)(H,12,14)","","2018-08-13","2024-09-27","N'-acetyl-2-chlorobenzohydrazide","2019-12-18"],["A1JHB","6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione","C16 H13 F N2 O3","Fc1ccccc1CCOc2ccc3C(=O)NNC(=O)c3c2;c1ccc(c(c1)CCOc2ccc3c(c2)C(=O)NNC3=O)F","InChI=1S/C16H13FN2O3/c17-14-4-2-1-3-10(14)7-8-22-11-5-6-12-13(9-11)16(21)19-18-15(12)20/h1-6,9H,7-8H2,(H,18,20)(H,19,21)","","2025-06-17","2025-09-12","6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione","2025-09-17"],["YK0","N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide","C24 H21 F3 N4 O3","FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1;CC(C)(O)c1cc2nn(cc2cc1NC(=O)c3cccc(n3)C(F)(F)F)c4ccc(CO)cc4;CC(C)(c1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)c4ccc(cc4)CO)O","InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33)","","2023-12-04","2024-06-28","N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide","2024-07-03"],["J62","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C22 H24 F N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)c(C)c4)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O","InChI=1S/C22H24FN3O4S/c1-12-3-6-15(7-4-12)31-22-21(29)19(20(28)18(11-27)30-22)26-10-17(24-25-26)14-5-8-16(23)13(2)9-14/h3-10,18-22,27-29H,11H2,1-2H3/t18-,19+,20+,21-,22+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-07-10"],["A1JHC","6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione","C15 H11 Cl N2 O3","Clc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1;c1cc(cc(c1)Cl)COc2ccc3c(c2)C(=O)NNC3=O","InChI=1S/C15H11ClN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2,(H,17,19)(H,18,20)","","2025-06-17","2025-09-12","6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione","2025-09-17"],["J63","1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione","C22 H30 N2 O4","O=C3C(=C(CC1CCCCC1)N(COCc2ccccc2)C(N3O)=O)C(C)C;CC(C)C1=C(CC2CCCCC2)N(COCc3ccccc3)C(=O)N(O)C1=O;CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3","InChI=1S/C22H30N2O4/c1-16(2)20-19(13-17-9-5-3-6-10-17)23(22(26)24(27)21(20)25)15-28-14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,27H,3,5-6,9-10,13-15H2,1-2H3","","2016-11-07","2017-06-23","1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione","2017-06-28"],["YK1","4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide","C23 H22 F4 N6 O2","FC(F)(F)c1cccc(F)c1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC;COc1cc2CCN(C)Cc2cc1Nc3ncc(C(N)=O)c(Nc4c(F)cccc4C(F)(F)F)n3;CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC","InChI=1S/C23H22F4N6O2/c1-33-7-6-12-9-18(35-2)17(8-13(12)11-33)30-22-29-10-14(20(28)34)21(32-22)31-19-15(23(25,26)27)4-3-5-16(19)24/h3-5,8-10H,6-7,11H2,1-2H3,(H2,28,34)(H2,29,30,31,32)","","2021-03-11","2021-04-02","4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide","2021-04-07"],["YK2","[6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone","C25 H27 F N8 O S","CCN1CCN(CC1)C(=O)c2ccc(Nc3ncc(F)c(n3)c4ccc5nc(sc5c4)N(C)C)nc2;CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F","InChI=1S/C25H27FN8OS/c1-4-33-9-11-34(12-10-33)23(35)17-6-8-21(27-14-17)30-24-28-15-18(26)22(31-24)16-5-7-19-20(13-16)36-25(29-19)32(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,28,30,31)","","2021-04-12","2022-04-01","[6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone","2022-04-06"],["J64","N-[(5-chlorothiophen-2-yl)methyl]acetamide","C7 H8 Cl N O S","N(Cc1ccc(Cl)s1)C(C)=O;CC(=O)NCc1sc(Cl)cc1;CC(=O)NCc1ccc(s1)Cl","InChI=1S/C7H8ClNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10)","","2018-08-13","2024-09-27","N-[(5-chlorothiophen-2-yl)methyl]acetamide","2019-12-18"],["J66","2-oxidanylisoindole-1,3-dione","C8 H5 N O3","ON1C(=O)c2ccccc2C1=O;c1ccc2c(c1)C(=O)N(C2=O)O","InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H","","2021-04-13","2022-05-06","2-oxidanylisoindole-1,3-dione","2022-05-11"],["A1JHR","Gly-Ser-epsilon-Lys","C11 H22 N4 O5","NCC(=O)N[CH](CO)C(=O)NCCCC[CH](N)C(O)=O;C(CCNC(=O)C(CO)NC(=O)CN)CC(C(=O)O)N","InChI=1S/C11H22N4O5/c12-5-9(17)15-8(6-16)10(18)14-4-2-1-3-7(13)11(19)20/h7-8,16H,1-6,12-13H2,(H,14,18)(H,15,17)(H,19,20)/t7-,8-/m0/s1","(2S)-2-azanyl-6-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid","2025-06-19","2025-08-08","(2~{S})-2-azanyl-6-[[(2~{S})-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid","2025-08-13"],["YK3","tert-butyl [(6S,10P)-4-{4-[(ethanesulfonyl)amino]phenyl}-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate","C25 H31 N5 O4 S2","CCS(=O)(=O)Nc1ccc(cc1)C1=NC(CC(=O)OC(C)(C)C)c2nnc(C)n2c2sc(C)c(C)c21;CC[S](=O)(=O)Nc1ccc(cc1)C2=N[CH](CC(=O)OC(C)(C)C)c3nnc(C)n3c4sc(C)c(C)c24;CCS(=O)(=O)Nc1ccc(cc1)C2=NC(c3nnc(n3-c4c2c(c(s4)C)C)C)CC(=O)OC(C)(C)C","InChI=1S/C25H31N5O4S2/c1-8-36(32,33)29-18-11-9-17(10-12-18)22-21-14(2)15(3)35-24(21)30-16(4)27-28-23(30)19(26-22)13-20(31)34-25(5,6)7/h9-12,19,29H,8,13H2,1-7H3/t19-/m0/s1","","2023-02-09","2024-09-27","tert-butyl [(6S,10P)-4-{4-[(ethanesulfonyl)amino]phenyl}-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate","2023-03-08"],["A1JHU","~{N}-[4-[(~{E})-[2-[(2~{S})-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]diazenyl]phenyl]ethanamide","C20 H26 N4 O3","CC(C)NC[CH](O)COc1ccccc1N=Nc2ccc(NC(C)=O)cc2;CC(C)NCC(COc1ccccc1N=Nc2ccc(cc2)NC(=O)C)O","InChI=1S/C20H26N4O3/c1-14(2)21-12-18(26)13-27-20-7-5-4-6-19(20)24-23-17-10-8-16(9-11-17)22-15(3)25/h4-11,14,18,21,26H,12-13H2,1-3H3,(H,22,25)/b24-23+/t18-/m0/s1","","2025-06-19","2026-04-17","~{N}-[4-[(~{E})-[2-[(2~{S})-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]diazenyl]phenyl]ethanamide","2026-04-22"],["YK4","4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide","C22 H23 Br N6 O2","Brc1ccccc1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC;COc1cc2CCN(C)Cc2cc1Nc3ncc(C(N)=O)c(Nc4ccccc4Br)n3;CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC","InChI=1S/C22H23BrN6O2/c1-29-8-7-13-10-19(31-2)18(9-14(13)12-29)27-22-25-11-15(20(24)30)21(28-22)26-17-6-4-3-5-16(17)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28)","","2021-03-11","2021-04-02","4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide","2021-04-07"],["J67","(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime","C25 H19 F N2 O4","O=C3C(=NO)/c2c(C=Cc1ccccc1)cccc2N3Cc5cc(F)cc4c5OCOC4;ON=C1C(=O)N(Cc2cc(F)cc3COCOc23)c4cccc(C=Cc5ccccc5)c14;c1ccc(cc1)C=Cc2cccc3c2C(=NO)C(=O)N3Cc4cc(cc5c4OCOC5)F","InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,30H,13-15H2/b10-9+,27-23-","","2009-02-16","2011-06-04","(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime",""],["J69","methyl 2-methylprop-2-enoate","C5 H8 O2","COC(=O)C(C)=C;CC(=C)C(=O)OC","InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3","methyl methacrylate","2021-04-13","2022-05-06","methyl 2-methylprop-2-enoate","2022-05-11"],["YK5","7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C24 H26 F N5 O6 S","C[CH](N1C[CH](CNC(N)=N)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CNC(=N)N","InChI=1S/C24H26FN5O6S/c1-12(30-10-15(36-24(30)33)9-28-23(26)27)16-4-3-5-17-19(21(22(31)32)29-20(16)17)13-6-7-14(18(25)8-13)11-37(2,34)35/h3-8,12,15,29H,9-11H2,1-2H3,(H,31,32)(H4,26,27,28)/t12-,15+/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["A1JI8","4-[[[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol","C31 H42 N6 O2","CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)c(O)c2;CC1(CCN(CC1)Cc2ccc(c(c2)O)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C","InChI=1S/C31H42N6O2/c1-30(2)10-14-36(15-11-30)21-25-8-9-26(27(38)18-25)33-22-31(39)12-16-37(17-13-31)29-19-28(34-23-35-29)32-20-24-6-4-3-5-7-24/h3-9,18-19,23,33,38-39H,10-17,20-22H2,1-2H3,(H,32,34,35)","","2025-06-30","2026-03-13","4-[[[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol","2026-03-18"],["YK6","diepoxidized farnesyl acetate","C17 H28 O4","CC(=O)OCC=C(C)CC[CH]1O[C]1(C)CC[CH]2OC2(C)C;CC(=CCOC(=O)C)CCC1C(O1)(C)CCC2C(O2)(C)C","InChI=1S/C17H28O4/c1-12(9-11-19-13(2)18)6-7-15-17(5,21-15)10-8-14-16(3,4)20-14/h9,14-15H,6-8,10-11H2,1-5H3/b12-9+/t14-,15+,17+/m1/s1","[(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate","2023-12-05","2025-04-11","[(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate","2025-04-16"],["J6A","(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","C22 H23 F3 N2 O3","C1CCCCC1CC(=O)NC(c2ccc(cc2)c3cc(F)c(F)c(F)c3)C(=O)NO;ONC(=O)[CH](NC(=O)CC1CCCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CC3CCCCC3","InChI=1S/C22H23F3N2O3/c23-17-11-16(12-18(24)20(17)25)14-6-8-15(9-7-14)21(22(29)27-30)26-19(28)10-13-4-2-1-3-5-13/h6-9,11-13,21,30H,1-5,10H2,(H,26,28)(H,27,29)/t21-/m1/s1","","2018-08-14","2018-12-21","(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","2018-12-26"],["YK7","4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide","C22 H24 N6 O2","NC(=O)c1cnc(nc1Nc1ccccc1)Nc1cc2CN(C)CCc2cc1OC;COc1cc2CCN(C)Cc2cc1Nc3ncc(C(N)=O)c(Nc4ccccc4)n3;CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC","InChI=1S/C22H24N6O2/c1-28-9-8-14-11-19(30-2)18(10-15(14)13-28)26-22-24-12-17(20(23)29)21(27-22)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,29)(H2,24,25,26,27)","","2021-03-11","2021-04-02","4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide","2021-04-07"],["A1JIB","~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[5-(fluoranylmethyl)-2,6-dimethyl-pyridin-3-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide","C33 H42 Cl F N4 O4 S2","Cc1nc(C)c(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)cc1CF;Cc1c(cc(c(n1)C)CF)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5","InChI=1S/C33H42ClFN4O4S2/c1-24-28(20-35)19-29(25(2)37-24)23-38(21-27-15-17-36-18-16-27)44(40,41)32-11-13-33(14-12-32)45(42,43)39(31-5-3-4-6-31)22-26-7-9-30(34)10-8-26/h7-14,19,27,31,36H,3-6,15-18,20-23H2,1-2H3","","2025-06-26","2026-04-24","~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[5-(fluoranylmethyl)-2,6-dimethyl-pyridin-3-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide","2026-04-29"],["J6B","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","C27 H37 F N6 O4 S","CC(C)C[CH](NC(=O)c1ccc(c(F)c1)c2csc(n2)N3CCN(C)CC3)C(=O)N4C[CH](N)[CH]5OC[CH](O)[CH]45;CC(C)CC(C(=O)N1CC(C2C1C(CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C","InChI=1S/C27H37FN6O4S/c1-15(2)10-20(26(37)34-12-19(29)24-23(34)22(35)13-38-24)30-25(36)16-4-5-17(18(28)11-16)21-14-39-27(31-21)33-8-6-32(3)7-9-33/h4-5,11,14-15,19-20,22-24,35H,6-10,12-13,29H2,1-3H3,(H,30,36)/t19-,20+,22+,23-,24-/m1/s1","","2019-02-01","2020-02-14","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","2020-02-19"],["J6C","Miltiradiene","C20 H32","CC(C)C1=CCC2=C(CC[CH]3C(C)(C)CCC[C]23C)C1;CC(C)C1=CCC2=C(C1)CCC3C2(CCCC3(C)C)C","InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1","(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene","2021-04-13","2021-06-11","(4~{b}~{S},8~{a}~{S})-4~{b},8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8~{a},9,10-octahydrophenanthrene","2021-06-16"],["YK8","20alpha-hydroxy-20-(5-methylhexyl)cholesterol","C28 H48 O2","CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O","InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1","","2020-11-17","2021-01-08","(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol","2021-01-13"],["A1JIE","(3~{S})-3-(4-iodanylphenoxy)-~{N}-methyl-3-phenyl-propan-1-amine","C16 H18 I N O","CNCC[CH](Oc1ccc(I)cc1)c2ccccc2;CNCCC(c1ccccc1)Oc2ccc(cc2)I","InChI=1S/C16H18INO/c1-18-12-11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16,18H,11-12H2,1H3/t16-/m0/s1","","2025-06-26","2026-02-13","(3~{S})-3-(4-iodanylphenoxy)-~{N}-methyl-3-phenyl-propan-1-amine","2026-02-18"],["A1JIF","3-[(4-ethylphenyl)methyl]-7-fluoranyl-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one","C18 H15 F N4 O","CCc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34)cc1;CCc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N3)F","InChI=1S/C18H15FN4O/c1-2-11-3-5-12(6-4-11)10-23-17-16(21-22-23)14-8-7-13(19)9-15(14)18(24)20-17/h3-9H,2,10H2,1H3,(H,20,24)","","2025-06-26","2026-01-23","3-[(4-ethylphenyl)methyl]-7-fluoranyl-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one","2026-01-28"],["J6D","6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide","C33 H30 F N5 O5 S","c1(ccc(F)cc1)c2oc6c(c2C(=O)NC)cc(c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c6)N(S(=O)(=O)C)CC;CCN(c1cc2oc(c3ccc(F)cc3)c(C(=O)NC)c2cc1c4cccc(c4)C(=O)NC5(CC5)c6ncccn6)[S](C)(=O)=O;CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C","InChI=1S/C33H30FN5O5S/c1-4-39(45(3,42)43)26-19-27-25(28(31(41)35-2)29(44-27)20-9-11-23(34)12-10-20)18-24(26)21-7-5-8-22(17-21)30(40)38-33(13-14-33)32-36-15-6-16-37-32/h5-12,15-19H,4,13-14H2,1-3H3,(H,35,41)(H,38,40)","","2018-08-14","2018-11-16","6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide","2018-11-21"],["YK9","4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE","C19 H11 N3 O","O=C4c3cccc(c2nc1cnccc1n2)c3c5ccccc45;O=C1c2ccccc2c3c(cccc13)c4[nH]c5ccncc5n4;c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4","InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22)","","2011-05-26","2011-10-21","4-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-one",""],["YKA","(1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid","C23 H37 F2 N3 O8 S","O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C1CCC(F)(F)CC1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC(C)(C)C1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CC=NC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F","InChI=1S/C23H37F2N3O8S/c1-13(2)11-16(28-21(32)36-22(3,4)15-5-8-23(24,25)9-6-15)19(30)27-17(20(31)37(33,34)35)12-14-7-10-26-18(14)29/h10,13-17,20,31H,5-9,11-12H2,1-4H3,(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20+/m0/s1","","2021-03-11","2024-09-27","(1R,2S)-2-{[N-({[2-(4,4-difluorocyclohexyl)propan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid","2021-03-24"],["J6E","~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide","C21 H23 F N6 O2","Fc1ccc(NC(=O)N2CCCC2)cc1c3ccn4c(cnc4n3)N5CCOCC5;c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F","InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)","","2019-02-01","2019-04-12","~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide","2019-04-17"],["J6F","7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione","C12 H18 N4 O2 S","CCCCCCN1C(=S)NC2=C1C(=O)NC(=O)N2C;CCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C","InChI=1S/C12H18N4O2S/c1-3-4-5-6-7-16-8-9(13-12(16)19)15(2)11(18)14-10(8)17/h3-7H2,1-2H3,(H,13,19)(H,14,17,18)","","2022-08-04","2023-07-21","7-hexyl-3-methyl-8-sulfanylidene-9~{H}-purine-2,6-dione","2023-07-26"],["A1JJP","(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-(2-azanylethoxy)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-[(1R,2R)-1,2-bis(oxidanyl)-3-[(3-phenoxyphenyl)carbonylamino]propyl]-4-oxidanyl-oxane-2-carboxylic acid","C40 H56 N4 O20","CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CNC(=O)c4cccc(Oc5ccccc5)c4)C(O)=O)[CH](O)[CH](O)[CH]2O)[CH](CO)O[CH]1OCCN;CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2cccc(c2)Oc3ccccc3)O)O)(C(=O)O)OCC4C(C(C(C(O4)OC5C(OC(C(C5O)NC(=O)C)OCCN)CO)O)O)O)O","InChI=1S/C40H56N4O20/c1-18(46)43-27-23(48)14-40(39(56)57,64-35(27)29(50)24(49)15-42-36(55)20-7-6-10-22(13-20)60-21-8-4-3-5-9-21)59-17-26-30(51)32(53)33(54)38(62-26)63-34-25(16-45)61-37(58-12-11-41)28(31(34)52)44-19(2)47/h3-10,13,23-35,37-38,45,48-54H,11-12,14-17,41H2,1-2H3,(H,42,55)(H,43,46)(H,44,47)(H,56,57)/t23-,24+,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+,35+,37+,38-,40+/m0/s1","","2025-07-07","2026-01-23","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-6-(2-azanylethoxy)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)-3-[(3-phenoxyphenyl)carbonylamino]propyl]-4-oxidanyl-oxane-2-carboxylic acid","2026-01-28"],["YKB","N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE","C23 H19 N5 O2","O=C(N)CCC(=O)NC5c1ccccc1c4c5cccc4c3nc2ccncc2n3;NC(=O)CCC(=O)N[CH]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4;c1ccc2c(c1)-c3c(cccc3C2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4","InChI=1S/C23H19N5O2/c24-19(29)8-9-20(30)28-22-14-5-2-1-4-13(14)21-15(22)6-3-7-16(21)23-26-17-10-11-25-12-18(17)27-23/h1-7,10-12,22H,8-9H2,(H2,24,29)(H,26,27)(H,28,30)/t22-/m1/s1","","2011-05-26","2011-10-14","N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]butanediamide",""],["YKC","N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE","C25 H17 N5 O","O=C(c1ccncc1)NC6c2ccccc2c5c6cccc5c4nc3ccncc3n4;O=C(N[CH]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4)c6ccncc6;c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5","InChI=1S/C25H17N5O/c31-25(15-8-11-26-12-9-15)30-23-17-5-2-1-4-16(17)22-18(23)6-3-7-19(22)24-28-20-10-13-27-14-21(20)29-24/h1-14,23H,(H,28,29)(H,30,31)/t23-/m1/s1","","2011-05-26","2011-10-14","N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide",""],["J6H","(3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid","C14 H12 Cl N O3","OC(=O)C[CH](c1ccc(Cl)cc1)C2=CC(=O)NC=C2;c1cc(ccc1C(CC(=O)O)C2=CC(=O)NC=C2)Cl","InChI=1S/C14H12ClNO3/c15-11-3-1-9(2-4-11)12(8-14(18)19)10-5-6-16-13(17)7-10/h1-7,12H,8H2,(H,16,17)(H,18,19)/t12-/m0/s1","","2019-02-07","2019-04-19","(3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid","2019-04-24"],["A1JJQ","~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide","C18 H16 F N3 O","Cc1cccc2c(NC(=O)C=C)nn(Cc3ccc(F)cc3)c12;Cc1cccc2c1n(nc2NC(=O)C=C)Cc3ccc(cc3)F","InChI=1S/C18H16FN3O/c1-3-16(23)20-18-15-6-4-5-12(2)17(15)22(21-18)11-13-7-9-14(19)10-8-13/h3-10H,1,11H2,2H3,(H,20,21,23)","","2025-07-08","2025-10-17","~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide","2025-10-22"],["YKD","(1S,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid","C23 H37 F2 N3 O8 S","O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C1CCC(F)(F)CC1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC(C)(C)C1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CC=NC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F","InChI=1S/C23H37F2N3O8S/c1-13(2)11-16(28-21(32)36-22(3,4)15-5-8-23(24,25)9-6-15)19(30)27-17(20(31)37(33,34)35)12-14-7-10-26-18(14)29/h10,13-17,20,31H,5-9,11-12H2,1-4H3,(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20-/m0/s1","","2021-03-11","2024-09-27","(1S,2S)-2-{[N-({[2-(4,4-difluorocyclohexyl)propan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid","2021-03-24"],["J6I","2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile","C16 H15 N3 O","N#Cc1c(OC2C=CCCC2)c2ccccc2nc1N;Nc1nc2ccccc2c(O[CH]3CCCC=C3)c1C#N;c1ccc2c(c1)c(c(c(n2)N)C#N)OC3CCCC=C3","InChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1","","2022-02-01","2022-10-07","2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile","2022-10-12"],["YKE","N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide","C29 H19 N5 O","O=C(c2c1cccnc1ccc2)NC=6C5=CC=CC(c4nc3ccncc3n4)C5=C7C=CC=CC=67;O=C(NC1=C2C=CC=CC2=C3[CH](C=CC=C13)c4[nH]c5cnccc5n4)c6cccc7ncccc67;c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6","InChI=1S/C29H19N5O/c35-29(20-8-4-12-23-17(20)11-5-14-31-23)34-27-19-7-2-1-6-18(19)26-21(27)9-3-10-22(26)28-32-24-13-15-30-16-25(24)33-28/h1-16,22H,(H,32,33)(H,34,35)/t22-/m1/s1","","2011-05-26","2011-10-14","N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide",""],["J6J","6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide","C33 H29 F2 N5 O4","c1(ccc(F)cc1)c2oc6c(c2C(NC)=O)cc(c5ccc(c(C(=O)NC4(c3ncc(cn3)F)CC4)c5)OC)c(c6)NCC;CCNc1cc2oc(c3ccc(F)cc3)c(C(=O)NC)c2cc1c4ccc(OC)c(c4)C(=O)NC5(CC5)c6ncc(F)cn6;CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC","InChI=1S/C33H29F2N5O4/c1-4-37-25-15-27-23(28(31(42)36-2)29(44-27)18-5-8-20(34)9-6-18)14-22(25)19-7-10-26(43-3)24(13-19)30(41)40-33(11-12-33)32-38-16-21(35)17-39-32/h5-10,13-17,37H,4,11-12H2,1-3H3,(H,36,42)(H,40,41)","","2018-08-14","2018-11-16","6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide","2018-11-21"],["A1JJU","3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride","C21 H20 F N3 O2 S","F[S](=O)(=O)c1cccc(c1)c2cn(C3CCCCC3)c4c5cc[nH]c5ncc24;c1cc(cc(c1)S(=O)(=O)F)c2cn(c3c2cnc4c3cc[nH]4)C5CCCCC5","InChI=1S/C21H20FN3O2S/c22-28(26,27)16-8-4-5-14(11-16)19-13-25(15-6-2-1-3-7-15)20-17-9-10-23-21(17)24-12-18(19)20/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)","","2025-07-16","2025-08-15","3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride","2025-08-20"],["A1JK8","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-propyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C32 H55 N8 O13 P2","CCCCCCCCCCCCc1c[n+](CCC)nn1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CCCCCCCCCCCCc1c[n+](nn1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)CCC","InChI=1S/C32H54N8O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-21-16-38(15-4-2)37-40(21)32-28(44)26(42)23(52-32)18-50-55(47,48)53-54(45,46)49-17-22-25(41)27(43)31(51-22)39-20-36-24-29(33)34-19-35-30(24)39/h16,19-20,22-23,25-28,31-32,41-44H,3-15,17-18H2,1-2H3,(H3-,33,34,35,45,46,47,48)/p+1/t22-,23-,25-,26-,27-,28-,31-,32+/m1/s1","","2025-07-21","2025-11-07","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-propyl-1,2,3-triazol-3-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2025-11-12"],["YKF","methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate","C23 H21 N3 O5","O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1;COC(=O)NN(C=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1;Cc1cc(ccc1NC(=O)c2cccc(c2)Oc3ccccc3)N(C=O)NC(=O)OC","InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29)","","2023-02-09","2024-09-27","methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate","2024-02-21"],["J6K","(3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid","C26 H28 N4 O5 S","COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C)c(CN(C)[S](=O)(=O)c4ccccc4)c3;Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)C(CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C","InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32)/t22-/m0/s1","","2019-02-07","2019-04-19","(3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid","2019-04-24"],["J6L","8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one","C23 H22 O6","COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O;CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C","InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3","","2021-04-15","2022-04-15","8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one","2022-04-20"],["YKG","[(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","C11 H10 Br O5 P","Cc2cc(Br)c1C(CP(=O)(O)O)=CC(=O)Oc1c2;Cc1cc(Br)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O;Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O","InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)","","2018-04-17","2019-04-12","[(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","2019-04-17"],["A1JKC","Hexavanadate (V6-Man) polyoxometalate","C30 H46 N8 O33 V6","OC[CH]1O[CH](OCc2cn(CC(=O)NC34C[O+]5[V]678(=O)O[V]9%10%11(=O)O[V]5%12%13(=O)O[V]%14%15%16(=O)O[V]%17(=O)(O[V]%18(=O)(O6)([O+]9CC(C[O+]%10%14)(C[O+]%15%18)NC(=O)Cn%19cc(CO[CH]%20O[CH](CO)[CH](O)[CH](O)[CH]%20O)nn%19)[O++]7%11%12%16%17)([O+]8C3)[O+]%13C4)nn2)[CH](O)[CH](O)[CH]1O;c1c(nnn1CC(=O)NC23C[O+]4[V]567(=O)O[V]891(=O)[O+2]55%10%11[V]44(=O)(O8)O[V]558(=O)[O+]9CC9(C[O+]1[V]%10(=O)(O6)([O+]5C9)O[V]%11(=O)(O8)([O+]7C2)[O+]4C3)NC(=O)Cn1cc(nn1)COC1C(C(C(C(O1)CO)O)O)O)COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/2C15H23N4O10.13O.6V/c2*20-3-9-11(25)12(26)13(27)14(29-9)28-4-8-1-19(18-17-8)2-10(24)16-15(5-21,6-22)7-23;;;;;;;;;;;;;;;;;;;/h2*1,9,11-14,20,25-27H,2-7H2,(H,16,24);;;;;;;;;;;;;;;;;;;/q2*+3;;;;;;;;;;;;;+2;;;;;;/t2*9-,11+,12+,13-,14-;;;;;;;;;;;;;;;;;;;/m11.................../s1","","2025-07-16","2025-09-26","","2025-10-01"],["J6M","2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","C28 H34 N8 O2 S2","CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(cc4)[S](=O)(=O)N5CCN(C)CC5;CCCN(c1cc(ccc1C)c2ccc(cc2)S(=O)(=O)N3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N","InChI=1S/C28H34N8O2S2/c1-4-11-36(28-31-23(18-39-28)27-32-25(29)17-26(30)33-27)24-16-21(6-5-19(24)2)20-7-9-22(10-8-20)40(37,38)35-14-12-34(3)13-15-35/h5-10,16-18H,4,11-15H2,1-3H3,(H4,29,30,32,33)","","2022-04-25","2023-06-02","2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","2023-06-07"],["Y","2'-DEOXY-N6-(S)STYRENE OXIDE ADENOSINE MONOPHOSPHATE","C18 H22 N5 O7 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC(c3ccccc3)CO)CC4O;OC[CH](Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4;c1ccc(cc1)C(CO)Nc2c3c(ncn2)n(cn3)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C18H22N5O7P/c24-7-12(11-4-2-1-3-5-11)22-17-16-18(20-9-19-17)23(10-21-16)15-6-13(25)14(30-15)8-29-31(26,27)28/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,22)(H2,26,27,28)/t12-,13+,14-,15-/m1/s1","","1999-07-08","2011-06-04","2'-deoxy-N-[(1S)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate)",""],["YKH","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","C24 H26 N4 O6","COc1ncc(cc1O)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O;CC(c1cccc2c1[nH]c(c2c3cc(c(nc3)OC)O)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C24H26N4O6/c1-12(28-11-24(34-23(28)32)7-13(8-24)9-25)15-4-3-5-16-18(20(22(30)31)27-19(15)16)14-6-17(29)21(33-2)26-10-14/h3-6,10,12-13,27,29H,7-9,11,25H2,1-2H3,(H,30,31)/t12-,13-,24-/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["J6N","(3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid","C16 H14 Cl N3 O2","Cn1nnc2cc(ccc12)[CH](CC(O)=O)c3ccc(Cl)cc3;Cn1c2ccc(cc2nn1)C(CC(=O)O)c3ccc(cc3)Cl","InChI=1S/C16H14ClN3O2/c1-20-15-7-4-11(8-14(15)18-19-20)13(9-16(21)22)10-2-5-12(17)6-3-10/h2-8,13H,9H2,1H3,(H,21,22)/t13-/m1/s1","","2019-02-07","2019-04-19","(3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid","2019-04-24"],["J6O","2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","C21 H20 O12","OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1","Hyperoside","2021-04-16","2022-05-13","2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","2022-05-18"],["YKI","1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE","C27 H18 N6 O","O=C(c1ccnc2c1ccn2)NC7c3ccccc3c6c(c4nc5ccncc5n4)cccc67;O=C(N[CH]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4)c6ccnc7[nH]ccc67;c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6","InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1","","2011-05-27","2011-10-14","N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide",""],["A1JKQ","1-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanone","C10 H7 F2 N3 O","Fc1ccc(c(F)c1)C(=O)Cn2cncn2;c1cc(c(cc1F)F)C(=O)Cn2cncn2","InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2","(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE","2025-07-16","2025-10-10","1-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanone","2025-10-15"],["A1JKS","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)oxolane-3,4-diol","C17 H16 N6 O3 S2","Nc1ncnc2n(cnc12)[CH]3O[CH](CSc4sc5ccccc5n4)[CH](O)[CH]3O;c1ccc2c(c1)nc(s2)SCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C17H16N6O3S2/c18-14-11-15(20-6-19-14)23(7-21-11)16-13(25)12(24)9(26-16)5-27-17-22-8-3-1-2-4-10(8)28-17/h1-4,6-7,9,12-13,16,24-25H,5H2,(H2,18,19,20)/t9-,12-,13-,16-/m1/s1","","2025-07-16","2026-01-16","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)oxolane-3,4-diol","2026-01-21"],["YKJ","2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE","C25 H18 N6 O","O=C(c1ccnc(N)c1)NC6c2ccccc2c5c6cccc5c4nc3ccncc3n4;Nc1cc(ccn1)C(=O)N[CH]2c3ccccc3c4c2cccc4c5[nH]c6cnccc6n5;c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5","InChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)/t23-/m1/s1","","2011-05-27","2011-10-14","2-amino-N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide",""],["J6P","(5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","C21 H23 Cl2 N3 O","c1(c(cc3c(c1)nc2C(C4C6(Cc23)CN5C(C4)(CCC5)C(=O)N6)(C)C)Cl)Cl;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c6cc(Cl)c(Cl)cc6[nH]c15)NC4=O;CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1","","2018-08-15","2019-08-02","(5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2019-08-07"],["J6Q","(3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid","C17 H16 Cl N3 O2","Cn1nnc2cc(ccc12)[CH](CC(O)=O)c3ccc(Cl)c(C)c3;Cc1cc(ccc1Cl)C(CC(=O)O)c2ccc3c(c2)nnn3C","InChI=1S/C17H16ClN3O2/c1-10-7-11(3-5-14(10)18)13(9-17(22)23)12-4-6-16-15(8-12)19-20-21(16)2/h3-8,13H,9H2,1-2H3,(H,22,23)/t13-/m0/s1","","2019-02-08","2019-04-19","(3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid","2019-04-24"],["YKK","2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione","C7 H6 O3","CC1=CC(=O)C(=CC1=O)O;CC1=CC(=O)C(=CC1=O)O","InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3","","2023-12-05","2024-08-23","2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione","2024-08-28"],["YKL","N-[(1'S,3aS,5R,15S,17S,19Z,21S,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide","C46 H59 Cl F N7 O8 S","Cn1cc(c(OC)n1)C(=O)NS1(=O)=NC(=O)c2cc3N(CC4(CCCc5cc(Cl)ccc54)COc3cc2)CC2CCOC2C(CN2CC3COCCN3CC2)(OC)C(F)=CCC(C)C1;COc1nn(C)cc1C(=O)N[S]2(=NC(=O)c3ccc4OC[C]5(CCCc6cc(Cl)ccc56)CN(C[CH]7CCO[CH]7[C](CN8CCN9CCOC[CH]9C8)(OC)C(=CC[CH](C)C2)F)c4c3)=O;CC1CC=C(C(C2C(CCO2)CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)N=S(=O)(C1)NC(=O)c7cn(nc7OC)C)(CN8CCN9CCOCC9C8)OC)F","InChI=1S/C46H59ClFN7O8S/c1-30-7-12-40(48)46(60-4,28-53-15-16-54-17-19-61-25-35(54)23-53)41-33(13-18-62-41)22-55-27-45(14-5-6-31-20-34(47)9-10-37(31)45)29-63-39-11-8-32(21-38(39)55)42(56)50-64(58,26-30)51-43(57)36-24-52(2)49-44(36)59-3/h8-12,20-21,24,30,33,35,41H,5-7,13-19,22-23,25-29H2,1-4H3,(H,50,51,56,57,58)/b40-12-/t30-,33-,35-,41+,45-,46+,64-/m0/s1","","2023-02-09","2023-05-12","N-[(1'S,3aS,5R,15S,17S,19Z,21S,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide","2023-05-17"],["J6R","(2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid","C42 H66 F N5 O6 S","CC[CH](C)[CH](NC(=O)[CH]1CCCCN1C)C(=O)N(CCCCC(C)C)[CH](C[CH](O)c2scc(n2)C(=O)N[CH](C[CH](C)C(O)=O)Cc3ccc(F)cc3)C(C)C;CCC(C)C(C(=O)N(CCCCC(C)C)C(CC(c1nc(cs1)C(=O)NC(Cc2ccc(cc2)F)CC(C)C(=O)O)O)C(C)C)NC(=O)C3CCCCN3C","InChI=1S/C42H66FN5O6S/c1-9-28(6)37(46-39(51)34-15-11-12-20-47(34)8)41(52)48(21-13-10-14-26(2)3)35(27(4)5)24-36(49)40-45-33(25-55-40)38(50)44-32(22-29(7)42(53)54)23-30-16-18-31(43)19-17-30/h16-19,25-29,32,34-37,49H,9-15,20-24H2,1-8H3,(H,44,50)(H,46,51)(H,53,54)/t28-,29-,32+,34+,35+,36+,37-/m0/s1","","2021-04-16","2022-04-22","(2~{S},4~{R})-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1~{R},3~{R})-4-methyl-3-[5-methylhexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid","2022-04-27"],["A1JKW","3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one","C22 H26 O7","CCC1=C(C)C(=C(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)C(=O)O1)O;CCC1=C(C(=C(C(=O)O1)Cc2c(c(c(c(c2O)C(=O)C)O)CC=C(C)C)O)O)C","InChI=1S/C22H26O7/c1-6-16-11(4)18(24)15(22(28)29-16)9-14-19(25)13(8-7-10(2)3)20(26)17(12(5)23)21(14)27/h7,24-27H,6,8-9H2,1-5H3","","2025-07-18","2025-11-07","3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one","2025-11-12"],["A1JKZ","2-[[3-(7-bromanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid","C23 H23 Br N4 O3","OC(=O)c1ccc2CCN(Cc3onc(n3)N4CCc5ccc(Br)cc5CC4)Cc2c1;c1cc2c(cc1C(=O)O)CN(CC2)Cc3nc(no3)N4CCc5ccc(cc5CC4)Br","InChI=1S/C23H23BrN4O3/c24-20-4-3-15-6-9-28(10-7-17(15)12-20)23-25-21(31-26-23)14-27-8-5-16-1-2-18(22(29)30)11-19(16)13-27/h1-4,11-12H,5-10,13-14H2,(H,29,30)","","2025-07-18","2025-12-19","2-[[3-(7-bromanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid","2025-12-24"],["YKM","(1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H37 F2 N3 O8 S","CC(C)CC(NC(=O)OC(C)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)O[CH](C)C1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)C2CCC(CC2)(F)F","InChI=1S/C22H37F2N3O8S/c1-12(2)10-16(27-21(31)35-13(3)14-4-7-22(23,24)8-5-14)19(29)26-17(20(30)36(32,33)34)11-15-6-9-25-18(15)28/h12-17,20,30H,4-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t13-,15-,16-,17-,20+/m0/s1","","2021-03-11","2024-09-27","(1R,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["J6S","(3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid","C12 H9 N O5","C(C([C@H]=CC=Cc1ccc([N+](=O)[O-])cc1)=O)(O)=O;OC(=O)C(=O)C=CC=Cc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C=CC=CC(=O)C(=O)O)[N+](=O)[O-]","InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+","4-nitro-cinnamylidenepyruvate, bound form","2018-08-15","2024-09-27","(3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid","2019-08-14"],["J6T","2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid","C23 H23 N O4","N[CH](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2;c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)C(CO)N","InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1","","2019-02-08","2019-04-19","2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid","2019-04-24"],["A1JLA","2-[4-[[(1~{R},2~{S},6~{S},8~{R})-2-[(4-ethynylphenyl)carbamoyloxymethyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]-3-methyl-phenyl]-2-methyl-propanoic acid","C32 H38 N2 O6 S","Cc1cc(ccc1[S](=O)(=O)N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(COC(=O)Nc5ccc(cc5)C#C)C2)C(C)(C)C(O)=O;Cc1cc(ccc1S(=O)(=O)N2CC3CC4CC(C4(C)C)C3(C2)COC(=O)Nc5ccc(cc5)C#C)C(C)(C)C(=O)O","InChI=1S/C32H38N2O6S/c1-7-21-8-11-25(12-9-21)33-29(37)40-19-32-18-34(17-24(32)15-23-16-27(32)30(23,3)4)41(38,39)26-13-10-22(14-20(26)2)31(5,6)28(35)36/h1,8-14,23-24,27H,15-19H2,2-6H3,(H,33,37)(H,35,36)/t23-,24+,27+,32+/m0/s1","","2025-07-21","2025-12-05","2-[4-[[(1~{R},2~{S},6~{S},8~{R})-2-[(4-ethynylphenyl)carbamoyloxymethyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]-3-methyl-phenyl]-2-methyl-propanoic acid","2025-12-10"],["YKN","2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE","C13 H9 F2 N3 O S","FC(F)(Sc1nc(ccn1)C)c2nc3ccccc3o2;Cc1ccnc(SC(F)(F)c2oc3ccccc3n2)n1;Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F","InChI=1S/C13H9F2N3OS/c1-8-6-7-16-12(17-8)20-13(14,15)11-18-9-4-2-3-5-10(9)19-11/h2-7H,1H3","","2011-05-31","2011-08-12","2-{difluoro[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1,3-benzoxazole",""],["A1JLB","2-[4-[[(1~{R},2~{R},6~{S},8~{R})-2-[3-[(4-ethynylphenyl)amino]-3-oxidanylidene-propyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]phenyl]-2-methyl-propanoic acid","C32 H38 N2 O5 S","CC1(C)[CH]2C[CH]3CN(C[C]3(CCC(=O)Nc4ccc(cc4)C#C)[CH]1C2)[S](=O)(=O)c5ccc(cc5)C(C)(C)C(O)=O;CC1(C2CC3CN(CC3(C1C2)CCC(=O)Nc4ccc(cc4)C#C)S(=O)(=O)c5ccc(cc5)C(C)(C)C(=O)O)C","InChI=1S/C32H38N2O5S/c1-6-21-7-11-25(12-8-21)33-28(35)15-16-32-20-34(19-24(32)17-23-18-27(32)30(23,2)3)40(38,39)26-13-9-22(10-14-26)31(4,5)29(36)37/h1,7-14,23-24,27H,15-20H2,2-5H3,(H,33,35)(H,36,37)/t23-,24+,27+,32-/m0/s1","","2025-07-21","2025-12-05","2-[4-[[(1~{R},2~{R},6~{S},8~{R})-2-[3-[(4-ethynylphenyl)amino]-3-oxidanylidene-propyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]phenyl]-2-methyl-propanoic acid","2025-12-10"],["YKO","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","C23 H23 F N4 O5","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CNC(=O)C(=C5)F;CC(c1cccc2c1[nH]c(c2C3=CNC(=O)C(=C3)F)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C23H23FN4O5/c1-11(28-10-23(33-22(28)32)6-12(7-23)8-25)14-3-2-4-15-17(19(21(30)31)27-18(14)15)13-5-16(24)20(29)26-9-13/h2-5,9,11-12,27H,6-8,10,25H2,1H3,(H,26,29)(H,30,31)/t11-,12-,23-/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["J6U","2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide","C38 H37 F2 N7 O8 S2","O=S(=O)(N1CCOCC1)c1ccc(cc1)N1C(=Nc2ccccc2C1=O)C(Cc1cc(F)cc(F)c1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(N)cc1;Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC(=O)N[CH](Cc3cc(F)cc(F)c3)C4=Nc5ccccc5C(=O)N4c6ccc(cc6)[S](=O)(=O)N7CCOCC7)C(=O)C2;c1ccc2c(c1)C(=O)N(C(=N2)C(Cc3cc(cc(c3)F)F)NC(=O)CN4CCN(CC4=O)S(=O)(=O)c5ccc(cc5)N)c6ccc(cc6)S(=O)(=O)N7CCOCC7","InChI=1S/C38H37F2N7O8S2/c39-26-19-25(20-27(40)22-26)21-34(42-35(48)23-44-13-14-46(24-36(44)49)57(53,54)30-9-5-28(41)6-10-30)37-43-33-4-2-1-3-32(33)38(50)47(37)29-7-11-31(12-8-29)56(51,52)45-15-17-55-18-16-45/h1-12,19-20,22,34H,13-18,21,23-24,41H2,(H,42,48)","","2023-08-07","2023-12-15","2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide","2023-12-20"],["A1JLE","[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-ethynylphenyl)carbamate","C31 H38 N2 O4 S","CC(C)(C)c1ccc(cc1)[S](=O)(=O)N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(COC(=O)Nc5ccc(cc5)C#C)C2;CC1(C2CC3CN(CC3(C1C2)COC(=O)Nc4ccc(cc4)C#C)S(=O)(=O)c5ccc(cc5)C(C)(C)C)C","InChI=1S/C31H38N2O4S/c1-7-21-8-12-25(13-9-21)32-28(34)37-20-31-19-33(18-24(31)16-23-17-27(31)30(23,5)6)38(35,36)26-14-10-22(11-15-26)29(2,3)4/h1,8-15,23-24,27H,16-20H2,2-6H3,(H,32,34)/t23-,24+,27+,31+/m0/s1","","2025-07-21","2025-12-05","[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-ethynylphenyl)carbamate","2025-12-10"],["J6V","3-[(4-fluoro-3-methylphenyl)carbamamido]-4-hydroxy-5-nitrobenzene-1-sulfonamide","C14 H13 F N4 O6 S","O=S(N)(=O)c1cc(c(O)c(NC(=O)Nc2cc(C)c(F)cc2)c1)[N+]([O-])=O;Cc1cc(NC(=O)Nc2cc(cc(c2O)[N+]([O-])=O)[S](N)(=O)=O)ccc1F;Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C14H13FN4O6S/c1-7-4-8(2-3-10(7)15)17-14(21)18-11-5-9(26(16,24)25)6-12(13(11)20)19(22)23/h2-6,20H,1H3,(H2,16,24,25)(H2,17,18,21)","","2018-08-16","2026-04-05","3-[(4-fluoro-3-methylphenyl)carbamamido]-4-hydroxy-5-nitrobenzene-1-sulfonamide","2018-11-28"],["YKP","(1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H37 F2 N3 O8 S","CC(C)CC(NC(=O)OC(C)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)O[CH](C)C1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)C2CCC(CC2)(F)F","InChI=1S/C22H37F2N3O8S/c1-12(2)10-16(27-21(31)35-13(3)14-4-7-22(23,24)8-5-14)19(29)26-17(20(30)36(32,33)34)11-15-6-9-25-18(15)28/h12-17,20,30H,4-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t13-,15-,16-,17-,20-/m0/s1","","2021-03-11","2024-09-27","(1S,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["YKQ","Abivertinib","C26 H26 F N7 O2","CN1CCN(CC1)c2ccc(Nc3nc4[nH]ccc4c(Oc5cccc(NC(=O)C=C)c5)n3)cc2F;CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C","InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)","~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide","2023-12-05","2024-11-11","~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide","2024-10-30"],["J6W","(5-methyl-1-benzothiophen-2-yl)methanol","C10 H10 O S","Cc1ccc2sc(CO)cc2c1;Cc1ccc2c(c1)cc(s2)CO","InChI=1S/C10H10OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5,11H,6H2,1H3","","2017-01-18","2017-05-26","(5-methyl-1-benzothiophen-2-yl)methanol","2017-05-31"],["YKR","2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose","C13 H19 N O5","OC2C(OCc1ccccc1)C(OC(O)C2N)CO;N[CH]1[CH](O)O[CH](CO)[CH](OCc2ccccc2)[CH]1O;c1ccc(cc1)COC2C(OC(C(C2O)N)O)CO","InChI=1S/C13H19NO5/c14-10-11(16)12(9(6-15)19-13(10)17)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9-,10-,11-,12-,13+/m1/s1","4-benzyl-alpha-D-glucosamine; 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucose; 2-amino-4-O-benzyl-2-deoxy-D-glucose;\n2-amino-4-O-benzyl-2-deoxy-glucose","2012-07-31","2020-07-17","2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose","2013-08-07"],["J6X","2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol","C12 H9 N O S2","Cc1csc(n1)c2sc3ccccc3c2O;Cc1csc(n1)c2c(c3ccccc3s2)O","InChI=1S/C12H9NOS2/c1-7-6-15-12(13-7)11-10(14)8-4-2-3-5-9(8)16-11/h2-6,14H,1H3","","2022-08-08","2022-12-16","2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol","2022-12-21"],["A1JLP","1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone","C11 H13 N O S","CC(=O)N1CCSc2ccccc2C1;CC(=O)N1CCSc2ccccc2C1","InChI=1S/C11H13NOS/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3","","2025-07-29","2025-08-08","1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone","2025-08-13"],["J6Z","(2R)-butane-2-sulfonate","C4 H9 O3 S","[O-]S(=O)(=O)C(C)CC;CC[CH](C)[S]([O-])(=O)=O;CCC(C)S(=O)(=O)[O-]","InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/p-1/t4-/m1/s1","","2009-07-23","2024-09-27","(2R)-butane-2-sulfonate",""],["YKS","(1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C28 H41 F2 N3 O8 S","CC(C)CC(NC(=O)OC(Cc1ccccc1)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)O[CH](Cc1ccccc1)C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC(Cc2ccccc2)C3CCC(CC3)(F)F","InChI=1S/C28H41F2N3O8S/c1-17(2)14-21(25(35)32-22(26(36)42(38,39)40)16-20-10-13-31-24(20)34)33-27(37)41-23(15-18-6-4-3-5-7-18)19-8-11-28(29,30)12-9-19/h3-7,17,19-23,26,36H,8-16H2,1-2H3,(H,31,34)(H,32,35)(H,33,37)(H,38,39,40)/t20-,21-,22-,23-,26+/m0/s1","","2021-03-11","2024-09-27","(1R,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["YKT","(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione","C41 H54 Cl F N4 O7 S","Clc1cc2CCCC3(CN4CC5CCOC5C(CN5CC6COCCN6CC5)(OC)C(F)=CCC(C)C(C)S(=O)(=O)NC(=O)c5cc4c(cc5)OC3)c2cc1;CO[C]1(CN2CCN3CCOC[CH]3C2)[CH]4OCC[CH]4CN5C[C]6(CCCc7cc(Cl)ccc67)COc8ccc(cc58)C(=O)N[S](=O)(=O)[CH](C)[CH](C)CC=C1F;CC1CC=C(C(C2C(CCO2)CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)C1C)(CN7CCN8CCOCC8C7)OC)F","InChI=1S/C41H54ClFN4O7S/c1-27-6-11-37(43)41(51-3,25-45-14-15-46-16-18-52-23-33(46)22-45)38-31(12-17-53-38)21-47-24-40(13-4-5-29-19-32(42)8-9-34(29)40)26-54-36-10-7-30(20-35(36)47)39(48)44-55(49,50)28(27)2/h7-11,19-20,27-28,31,33,38H,4-6,12-18,21-26H2,1-3H3,(H,44,48)/b37-11-/t27-,28+,31-,33-,38+,40-,41-/m0/s1","","2023-02-09","2023-05-12","(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione","2023-05-17"],["J70","Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)","C24 H24 N6 O4 Pt","[Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35;c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7","InChI=1S/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10;5-1-3-7-4-2-6;/h1-8H,9H2,(H,22,24,25);7H,1-6H2;","","2021-04-19","2022-08-22","","2021-12-15"],["YKU","3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide","C23 H16 N4 O","N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1;O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4cccc(c4)C#N;c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4cccc(c4)C#N","InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)","","2023-06-19","2023-10-06","3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide","2023-10-11"],["A1JLW","2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid","C9 H8 B O3","OC(=O)C[CH]1O[B-]c2ccccc12;[B-]1c2ccccc2C(O1)CC(=O)O","InChI=1S/C9H10BO3/c11-9(12)5-8-6-3-1-2-4-7(6)10-13-8/h1-4,8H,5,10H2,(H,11,12)/q-1/t8-/m1/s1","","2025-07-30","2025-09-12","2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid","2025-09-17"],["J71","4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide","C12 H13 N5 O5 S","O=S(=O)(N)c1ccc(cc1)CNc2ncnc(OC)c2[N+]([O-])=O;COc1ncnc(NCc2ccc(cc2)[S](N)(=O)=O)c1[N+]([O-])=O;COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]","InChI=1S/C12H13N5O5S/c1-22-12-10(17(18)19)11(15-7-16-12)14-6-8-2-4-9(5-3-8)23(13,20)21/h2-5,7H,6H2,1H3,(H2,13,20,21)(H,14,15,16)","4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide","2010-04-22","2020-06-17","4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide",""],["A1JLZ","2-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol","C23 H18 Cl F3 N2 O2","Cc1cc(Oc2ccc(cc2)C(F)(F)F)cc(c1)c3cn(CCO)c4ccnc(Cl)c34;Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO","InChI=1S/C23H18ClF3N2O2/c1-14-10-15(19-13-29(8-9-30)20-6-7-28-22(24)21(19)20)12-18(11-14)31-17-4-2-16(3-5-17)23(25,26)27/h2-7,10-13,30H,8-9H2,1H3","","2025-07-31","2026-01-30","2-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol","2026-02-04"],["YKV","(1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C28 H41 F2 N3 O8 S","CC(C)CC(NC(=O)OC(Cc1ccccc1)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)O[CH](Cc1ccccc1)C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC(Cc2ccccc2)C3CCC(CC3)(F)F","InChI=1S/C28H41F2N3O8S/c1-17(2)14-21(25(35)32-22(26(36)42(38,39)40)16-20-10-13-31-24(20)34)33-27(37)41-23(15-18-6-4-3-5-7-18)19-8-11-28(29,30)12-9-19/h3-7,17,19-23,26,36H,8-16H2,1-2H3,(H,31,34)(H,32,35)(H,33,37)(H,38,39,40)/t20-,21-,22-,23-,26-/m0/s1","","2021-03-11","2024-09-27","(1S,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["J72","(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime","C17 H12 F2 N2 O4","Fc1cc2c(cc1)N(C(=O)C/2=NO)Cc4cc(F)cc3c4OCOC3;ON=C1C(=O)N(Cc2cc(F)cc3COCOc23)c4ccc(F)cc14;c1cc2c(cc1F)C(=NO)C(=O)N2Cc3cc(cc4c3OCOC4)F","InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+","","2009-02-16","2011-06-04","(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime",""],["A1JMA","[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [oxidanyl-[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate","C65 H112 N2 O37 P2","C[CH](CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]3O)[CH](O)[CH]2NC(C)=O)[CH](O)[CH]1NC(C)=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C","InChI=1S/C65H112N2O37P2/c1-29(2)13-9-14-30(3)15-10-16-31(4)17-11-18-32(5)19-12-20-33(6)21-22-92-105(87,88)104-106(89,90)103-61-43(67-35(8)74)49(80)56(40(27-72)97-61)99-60-42(66-34(7)73)48(79)57(39(26-71)96-60)100-64-55(86)58(47(78)41(98-64)28-91-62-53(84)50(81)44(75)36(23-68)93-62)101-65-59(52(83)46(77)38(25-70)95-65)102-63-54(85)51(82)45(76)37(24-69)94-63/h13,15,17,19,33,36-65,68-72,75-86H,9-12,14,16,18,20-28H2,1-8H3,(H,66,73)(H,67,74)(H,87,88)(H,89,90)/b30-15+,31-17+,32-19-/t33-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63+,64-,65+/m0/s1","","2025-08-05","2026-03-13","[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [oxidanyl-[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate","2026-03-18"],["YKW","~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine","C18 H20 Cl N7","CCN1CCN(CC1)c2nc(Nc3ccc(Cl)cc3)c4nccnc4n2;CCN1CCN(CC1)c2nc3c(c(n2)Nc4ccc(cc4)Cl)nccn3","InChI=1S/C18H20ClN7/c1-2-25-9-11-26(12-10-25)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H,21,22,23,24)","","2023-12-05","2024-11-22","~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine","2024-11-27"],["J73","METHANOL TRIAZOL ETHYL PHENYL 1O-ALPHA-D-MANNOPYRANOSIDE","C17 H23 N3 O7","O(c1ccc(cc1)CCn2nnc(c2)CO)C3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH](Oc2ccc(CCn3cc(CO)nn3)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1CCn2cc(nn2)CO)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C17H23N3O7/c21-8-11-7-20(19-18-11)6-5-10-1-3-12(4-2-10)26-17-16(25)15(24)14(23)13(9-22)27-17/h1-4,7,13-17,21-25H,5-6,8-9H2/t13-,14-,15+,16+,17+/m1/s1","","2012-05-26","2014-09-05","4-{2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}phenyl alpha-D-mannopyranoside",""],["YKX","N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide","C38 H45 Cl F N5 O7 S","Cn1cc(c(OC)n1)C(=O)NS1(=O)=NC(=O)c2cc3N(CC4(CCCc5cc(Cl)ccc54)COc3cc2)CC2CCOC2C(OC)C(F)=CCC(C)C1;CO[CH]1[CH]2OCC[CH]2CN3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N=[S](=O)(C[CH](C)CC=C1F)NC(=O)c7cn(C)nc7OC;CC1CC=C(C(C2C(CCO2)CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)N=S(=O)(C1)NC(=O)c7cn(nc7OC)C)OC)F","InChI=1S/C38H45ClFN5O7S/c1-23-7-11-30(40)34(49-3)33-26(13-15-51-33)18-45-21-38(14-5-6-24-16-27(39)9-10-29(24)38)22-52-32-12-8-25(17-31(32)45)35(46)42-53(48,20-23)43-36(47)28-19-44(2)41-37(28)50-4/h8-12,16-17,19,23,26,33-34H,5-7,13-15,18,20-22H2,1-4H3,(H,42,43,46,47,48)/b30-11-/t23-,26-,33+,34-,38-,53-/m0/s1","","2023-02-09","2023-05-12","N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide","2023-05-17"],["J74","4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide","C12 H12 Cl N5 O4 S","O=S(=O)(N)c1ccc(cc1)CCNc2ncnc(Cl)c2[N+]([O-])=O;N[S](=O)(=O)c1ccc(CCNc2ncnc(Cl)c2[N+]([O-])=O)cc1;c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C12H12ClN5O4S/c13-11-10(18(19)20)12(17-7-16-11)15-6-5-8-1-3-9(4-2-8)23(14,21)22/h1-4,7H,5-6H2,(H2,14,21,22)(H,15,16,17)","","2010-03-18","2011-06-04","4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide",""],["A1JME","Castasterone","C28 H48 O5","CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C;CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O","InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1","(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one","2025-08-06","2025-08-29","(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one","2025-09-03"],["YKY","(1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid","C21 H28 F N3 O8 S","O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1F)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1ccccc1F)C(=O)N[CH](C[CH]2CC=NC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F","InChI=1S/C21H28FN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,8,12-13,16-17,20,28H,7,9-11H2,1-2H3,(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-2-[(N-{[(2-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid","2021-03-24"],["J75","4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide","C18 H18 N6 O4 S","O=S(=O)(N)c1ccc(cc1)CNc3ncnc(NCc2ccccc2)c3[N+]([O-])=O;N[S](=O)(=O)c1ccc(CNc2ncnc(NCc3ccccc3)c2[N+]([O-])=O)cc1;c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-]","InChI=1S/C18H18N6O4S/c19-29(27,28)15-8-6-14(7-9-15)11-21-18-16(24(25)26)17(22-12-23-18)20-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,19,27,28)(H2,20,21,22,23)","4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide","2010-04-22","2021-03-01","4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide",""],["YKZ","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid","C23 H24 N4 O5","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cncc(O)c5;CC(c1cccc2c1[nH]c(c2c3cc(cnc3)O)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)6-13(7-23)8-24)16-3-2-4-17-18(14-5-15(28)10-25-9-14)20(21(29)30)26-19(16)17/h2-5,9-10,12-13,26,28H,6-8,11,24H2,1H3,(H,29,30)/t12-,13-,23-/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["A1JMF","Typhasterol","C28 H48 O4","CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O","InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1","(3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one","2025-08-06","2026-02-08","(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one","2025-09-03"],["J76","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te\ntrahydro-2H-pyran-2-yl]oxy}octanamide","C33 H56 N2 O10","CCCCCCCC(NC(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2ccc(cc2)CCCCC)=O;CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)Nc2ccc(CCCCC)cc2;CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(cc2)CCCCC)O)O","InChI=1S/C33H56N2O10/c1-3-5-7-8-10-14-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)13-11-15-27(38)34-23-18-16-22(17-19-23)12-9-6-4-2/h16-19,24-26,29-33,36-37,40-43H,3-15,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1","aGSA[8,P5p]","2018-01-19","2020-06-17","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","2019-01-30"],["YL0","(4R)-4-chloro-L-lysine","C6 H13 Cl N2 O2","ClC(CCN)CC(N)C(=O)O;NCC[CH](Cl)C[CH](N)C(O)=O;C(CN)C(CC(C(=O)O)N)Cl","InChI=1S/C6H13ClN2O2/c7-4(1-2-8)3-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/m1/s1","","2023-12-05","2025-11-14","(4R)-4-chloro-L-lysine","2025-11-19"],["J77","(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE","C21 H27 N3 O3","O=C(OCC)c3ccc(OCCC2CCN(c1nnc(cc1)C)CC2)cc3;CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1;CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C","InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3","R77975","1999-07-08","2021-03-01","ethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoate",""],["J78","(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE","C22 H29 N3 O3","O=C(OCC)c3ccc(OCCCC2CCN(c1nnc(cc1)C)CC2)cc3;CCOC(=O)c1ccc(OCCCC2CCN(CC2)c3ccc(C)nn3)cc1;CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C","InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3","R78206","1999-07-08","2020-06-17","ethyl 4-{3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy}benzoate",""],["YL2","({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)","C16 H17 N3 O6 P2 S","O=P(O)(O)C(Nc1ncnc2sc(cc12)c3ccc(cc3)C4CC4)P(=O)(O)O;O[P](O)(=O)C(Nc1ncnc2sc(cc12)c3ccc(cc3)C4CC4)[P](O)(O)=O;c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4","InChI=1S/C16H17N3O6P2S/c20-26(21,22)16(27(23,24)25)19-14-12-7-13(28-15(12)18-8-17-14)11-5-3-10(4-6-11)9-1-2-9/h3-9,16H,1-2H2,(H,17,18,19)(H2,20,21,22)(H2,23,24,25)","","2013-04-02","2013-12-27","({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)","2014-01-01"],["YL3","({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid","C14 H14 N3 O3 P S","O=P(O)(O)CNc1ncnc2sc(cc12)c3ccc(cc3)C;Cc1ccc(cc1)c2sc3ncnc(NC[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O","InChI=1S/C14H14N3O3PS/c1-9-2-4-10(5-3-9)12-6-11-13(17-8-21(18,19)20)15-7-16-14(11)22-12/h2-7H,8H2,1H3,(H,15,16,17)(H2,18,19,20)","","2013-07-18","2014-06-20","({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid","2014-06-25"],["A1JMS","~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline","C21 H23 N3","CCn1c(cc2cc(CNC)ccc12)C#CCNc3ccccc3;CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC","InChI=1S/C21H23N3/c1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3","","2025-08-06","2026-03-06","~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline","2026-03-11"],["J79","(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid","C11 H20 N O11 P","C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)C","InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1","","2021-04-19","2022-04-15","(2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid","2022-04-20"],["A1JMT","[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] dihydrogen phosphate","C25 H45 O4 P","C[CH](CCO[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)O","InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-/t25-/m0/s1","","2025-08-07","2026-03-13","[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] dihydrogen phosphate","2026-03-18"],["YL4","[(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid","C22 H20 N3 O4 P S","c1c(ccc2c1CCO2)C(Nc3ncnc4sc(cc34)c5ccc(cc5)C)P(O)(O)=O;Cc1ccc(cc1)c2sc3ncnc(N[CH](c4ccc5OCCc5c4)[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(c4ccc5c(c4)CCO5)P(=O)(O)O","InChI=1S/C22H20N3O4PS/c1-13-2-4-14(5-3-13)19-11-17-20(23-12-24-22(17)31-19)25-21(30(26,27)28)16-6-7-18-15(10-16)8-9-29-18/h2-7,10-12,21H,8-9H2,1H3,(H,23,24,25)(H2,26,27,28)/t21-/m1/s1","","2016-05-12","2017-03-10","[(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid","2017-03-15"],["J7B","2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid","C22 H20 N2 O3","NCc1cccc(c1)c2cccc(c2)C(=O)Nc3ccccc3CC(O)=O;c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN","InChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26)","","2019-02-08","2019-04-19","2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid","2019-04-24"],["A1JMY","1-[2-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]ethyl]-3-ethyl-urea","C15 H23 N7 O4 S","CCNC(=O)NCCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCNC(=O)NCCSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C15H23N7O4S/c1-2-17-15(25)18-3-4-27-5-8-10(23)11(24)14(26-8)22-7-21-9-12(16)19-6-20-13(9)22/h6-8,10-11,14,23-24H,2-5H2,1H3,(H2,16,19,20)(H2,17,18,25)/t8-,10-,11-,14-/m1/s1","","2025-08-07","2026-01-16","1-[2-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]ethyl]-3-ethyl-urea","2026-01-21"],["J7C","9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine","C12 H18 N8 O3","n1c(c2c(nc1)n(cn2)C3C(C(O)C(CCN/C(N)=N)O3)O)N;NC(=N)NCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCNC(=N)N)O)O)N","InChI=1S/C12H18N8O3/c13-9-6-10(18-3-17-9)20(4-19-6)11-8(22)7(21)5(23-11)1-2-16-12(14)15/h3-5,7-8,11,21-22H,1-2H2,(H2,13,17,18)(H4,14,15,16)/t5-,7-,8-,11-/m1/s1","","2016-03-03","2016-11-04","9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine","2016-11-09"],["YL5","[(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid","C21 H19 F N3 O3 P S","c1c(cccc1F)CC(P(O)(=O)O)Nc2ncnc3c2cc(s3)c4ccc(cc4)C;Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4cccc(F)c4)[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(Cc4cccc(c4)F)P(=O)(O)O","InChI=1S/C21H19FN3O3PS/c1-13-5-7-15(8-6-13)18-11-17-20(23-12-24-21(17)30-18)25-19(29(26,27)28)10-14-3-2-4-16(22)9-14/h2-9,11-12,19H,10H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m1/s1","","2016-05-12","2017-03-10","[(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid","2017-03-15"],["YL6","[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid","C21 H18 Cl F N3 O3 P S","c1c(Cl)c(C)ccc1c2cc3c(ncnc3s2)NC(Cc4cc(F)ccc4)P(O)(=O)O;Cc1ccc(cc1Cl)c2sc3ncnc(N[CH](Cc4cccc(F)c4)[P](O)(O)=O)c3c2;Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)NC(Cc4cccc(c4)F)P(=O)(O)O","InChI=1S/C21H18ClFN3O3PS/c1-12-5-6-14(9-17(12)22)18-10-16-20(24-11-25-21(16)31-18)26-19(30(27,28)29)8-13-3-2-4-15(23)7-13/h2-7,9-11,19H,8H2,1H3,(H,24,25,26)(H2,27,28,29)/t19-/m1/s1","","2016-05-12","2017-03-10","[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid","2017-03-15"],["J7D","1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol","C6 H14 N O9 P","OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CN(O)C=O;C(C(C(C(COP(=O)(O)O)O)O)O)N(C=O)O","InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1","","2018-08-20","2023-12-08","1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol","2023-12-13"],["A1JMZ","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(naphthalen-2-ylsulfanylmethyl)oxolane-3,4-diol","C20 H19 N5 O3 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CSc4ccc5ccccc5c4)[CH](O)[CH]3O;c1ccc2cc(ccc2c1)SCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C20H19N5O3S/c21-18-15-19(23-9-22-18)25(10-24-15)20-17(27)16(26)14(28-20)8-29-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,16-17,20,26-27H,8H2,(H2,21,22,23)/t14-,16-,17-,20-/m1/s1","","2025-08-08","2026-01-16","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(naphthalen-2-ylsulfanylmethyl)oxolane-3,4-diol","2026-01-21"],["A1JN2","methyl (5~{R})-5-[4-cyano-2-[2-(trimethyl-$l^{4}-azanyl)ethyl]phenyl]-7-methyl-3-oxidanylidene-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate","C27 H28 F3 N6 O3","COC(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)C3=NNC(=O)N3[CH]1c4ccc(cc4CC[N+](C)(C)C)C#N;CC1=C(C(N2C(=O)NN=C2N1c3cccc(c3)C(F)(F)F)c4ccc(cc4CC[N+](C)(C)C)C#N)C(=O)OC","InChI=1S/C27H27F3N6O3/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30/h6-10,13-14,23H,11-12H2,1-5H3/p+1/t23-/m1/s1","","2025-08-28","2025-12-05","2-[5-cyano-2-[(5~{R})-6-methoxycarbonyl-7-methyl-3-oxidanylidene-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl]ethyl-trimethyl-azanium","2025-12-10"],["YL7","(1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid","C21 H28 F N3 O8 S","O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1F)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1ccccc1F)C(=O)N[CH](C[CH]2CC=NC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F","InChI=1S/C21H28FN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,8,12-13,16-17,20,28H,7,9-11H2,1-2H3,(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-2-[(N-{[(2-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid","2021-03-24"],["J7F","2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide","C18 H21 N O3","CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(O)cc2;CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(cc2)O","InChI=1S/C18H21NO3/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)19-13-8-10-14(20)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21)","","2021-04-20","2022-04-29","2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide","2022-05-04"],["A1JN3","(7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-[(1~{R})-1-oxidanylethyl]-8,10-dihydro-7~{H}-tetracene-5,12-dione","C27 H31 N O10","COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)[CH](C)O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(C)O)O)N)O","InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11+,14-,16-,17-,22+,27-/m0/s1","","2025-08-28","2025-12-19","(7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-[(1~{R})-1-oxidanylethyl]-8,10-dihydro-7~{H}-tetracene-5,12-dione","2025-12-24"],["YL8","5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole","C9 H4 F6 N4","FC(F)(F)c1cc(cc(c1)c1n[NH]nn1)C(F)(F)F;FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2n[nH]nn2;c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2n[nH]nn2","InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)","","2023-02-09","2024-02-09","5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole","2024-02-14"],["J7G","3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid","C20 H13 Cl N4 O3","C(=O)(Nc2cc(C#Cc1cccc(c1)C(O)=O)ncc2)Nc3cc(Cl)ncc3;OC(=O)c1cccc(c1)C#Cc2cc(NC(=O)Nc3ccnc(Cl)c3)ccn2;c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl","InChI=1S/C20H13ClN4O3/c21-18-12-17(7-9-23-18)25-20(28)24-16-6-8-22-15(11-16)5-4-13-2-1-3-14(10-13)19(26)27/h1-3,6-12H,(H,26,27)(H2,22,23,24,25,28)","","2018-08-20","2018-10-26","3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid","2018-10-31"],["YL9","7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C24 H26 F N3 O6 S","C[CH](N1C[CH](CCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CCN","InChI=1S/C24H26FN3O6S/c1-13(28-11-16(8-9-26)34-24(28)31)17-4-3-5-18-20(22(23(29)30)27-21(17)18)14-6-7-15(19(25)10-14)12-35(2,32)33/h3-7,10,13,16,27H,8-9,11-12,26H2,1-2H3,(H,29,30)/t13-,16?/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["J7H","(2~{R})-2-azanyl-2-methyl-heptanoic acid","C8 H17 N O2","CCCCC[C](C)(N)C(O)=O;CCCCCC(C)(C(=O)O)N","InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1","","2019-02-08","2024-09-27","(2~{R})-2-azanyl-2-methyl-heptanoic acid","2019-10-02"],["A1JNC","1-(5-chloranyl-3-methyl-pyridin-2-yl)-5-oxidanyl-3-[(1~{S})-1-phenylethyl]-2~{H}-pyrido[2,1-f][1,2,4]triazine-4,6-dione","C21 H19 Cl N4 O3","C[CH](N1CN(N2C=CC(=O)C(=C2C1=O)O)c3ncc(Cl)cc3C)c4ccccc4;Cc1cc(cnc1N2CN(C(=O)C3=C(C(=O)C=CN32)O)C(C)c4ccccc4)Cl","InChI=1S/C21H19ClN4O3/c1-13-10-16(22)11-23-20(13)26-12-24(14(2)15-6-4-3-5-7-15)21(29)18-19(28)17(27)8-9-25(18)26/h3-11,14,28H,12H2,1-2H3/t14-/m0/s1","","2025-08-18","2025-12-12","1-(5-chloranyl-3-methyl-pyridin-2-yl)-5-oxidanyl-3-[(1~{S})-1-phenylethyl]-2~{H}-pyrido[2,1-f][1,2,4]triazine-4,6-dione","2025-12-17"],["A1JNF","N-[(2S)-1-[[(2S)-1-[2-[(3-chlorophenyl)methyl]-2-ethanoyl-hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide","C29 H33 Cl N4 O4 S","CC(=O)N(Cc1cccc(Cl)c1)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)c3sccc3)C(C)(C)C;CC(=O)N(Cc1cccc(c1)Cl)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)c3cccs3","InChI=1S/C29H33ClN4O4S/c1-19(35)34(18-21-12-8-13-22(30)16-21)33-26(36)23(17-20-10-6-5-7-11-20)31-28(38)25(29(2,3)4)32-27(37)24-14-9-15-39-24/h5-16,23,25H,17-18H2,1-4H3,(H,31,38)(H,32,37)(H,33,36)/t23-,25+/m0/s1","","2025-08-19","2026-01-09","~{N}-[(2~{S})-1-[[(2~{S})-1-[2-[(3-chlorophenyl)methyl]-2-ethanoyl-hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide","2026-01-14"],["YLA"," (S)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride","C20 H28 N7 O10 P","O=C(OCC#C)NCCCCC(N)C(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CCCCNC(=O)OCC#C)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;C#CCOC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C20H28N7O10P/c1-2-7-34-20(31)23-6-4-3-5-11(21)19(30)37-38(32,33)35-8-12-14(28)15(29)18(36-12)27-10-26-13-16(22)24-9-25-17(13)27/h1,9-12,14-15,18,28-29H,3-8,21H2,(H,23,31)(H,32,33)(H2,22,24,25)/p-1/t11-,12-,14-,15-,18-/m1/s1","","2013-11-28","2014-03-14","5'-O-({[(2R)-2-amino-6-{[(prop-2-yn-1-yloxy)carbonyl]amino}hexanoyl]oxy}phosphinato)adenosine","2014-03-19"],["J7I","2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","C29 H36 N8 O3 S2","CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(c(OC)c4)[S](=O)(=O)N5CCN(C)CC5;CCCN(c1cc(ccc1C)c2ccc(c(c2)OC)S(=O)(=O)N3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N","InChI=1S/C29H36N8O3S2/c1-5-10-37(29-32-22(18-41-29)28-33-26(30)17-27(31)34-28)23-15-20(7-6-19(23)2)21-8-9-25(24(16-21)40-4)42(38,39)36-13-11-35(3)12-14-36/h6-9,15-18H,5,10-14H2,1-4H3,(H4,30,31,33,34)","","2022-04-25","2023-06-02","2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","2023-06-07"],["A1JNQ","[(2~{S},3~{S})-3-[[2-(2-azanylidene-1,3-thiazolidin-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid","C15 H23 N5 O8 S2","C[CH](N[S](O)(=O)=O)[CH](NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(N)n1)C=O;CC(C(C=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(n1)N)NS(=O)(=O)O","InChI=1S/C15H23N5O8S2/c1-8(20-30(24,25)26)9(5-21)17-13(23)12(10-7-29-14(16)18-10)19-27-6-11(22)28-15(2,3)4/h5,7-9,20H,6H2,1-4H3,(H2,16,18)(H,17,23)(H,24,25,26)/t8-,9+/m0/s1","","2025-08-22","2026-02-13","[(2~{S},3~{S})-3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid","2026-02-18"],["J7J","N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea","C18 H13 Br Cl N5 O2 S","c1c(ncc(c1NC(=O)Nc2c(c(ns2)C#Cc3cc(CO)ccc3)Br)N)Cl;Nc1cnc(Cl)cc1NC(=O)Nc2snc(C#Cc3cccc(CO)c3)c2Br;c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO","InChI=1S/C18H13BrClN5O2S/c19-16-13(5-4-10-2-1-3-11(6-10)9-26)25-28-17(16)24-18(27)23-14-7-15(20)22-8-12(14)21/h1-3,6-8,26H,9,21H2,(H2,22,23,24,27)","","2018-08-20","2018-10-26","N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea","2018-10-31"],["YLB","5'-O-({[(2R)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine","C20 H32 N7 O9 P","O=C(NCCCCC(N)C(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCC;CCCC(=O)NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C20H32N7O9P/c1-2-5-13(28)23-7-4-3-6-11(21)20(31)36-37(32,33)34-8-12-15(29)16(30)19(35-12)27-10-26-14-17(22)24-9-25-18(14)27/h9-12,15-16,19,29-30H,2-8,21H2,1H3,(H,23,28)(H,32,33)(H2,22,24,25)/p-1/t11-,12-,15-,16-,19-/m1/s1","","2013-11-28","2014-03-14","5'-O-({[(2R)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine","2014-03-19"],["J7L","3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide","C15 H15 Cl N6 O","CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)NC","InChI=1S/C15H15ClN6O/c1-17-12-11-13(21-15(16)20-12)22(8-19-11)7-9-4-3-5-10(6-9)14(23)18-2/h3-6,8H,7H2,1-2H3,(H,18,23)(H,17,20,21)","","2023-08-07","2023-12-01","3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide","2023-12-06"],["A1JNR","[(2~{S},3~{S})-3-[[(2~{R})-2-methoxy-2-phenyl-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid","C13 H18 N2 O6 S","CO[CH](C(=O)N[CH](C=O)[CH](C)N[S](O)(=O)=O)c1ccccc1;CC(C(C=O)NC(=O)C(c1ccccc1)OC)NS(=O)(=O)O","InChI=1S/C13H18N2O6S/c1-9(15-22(18,19)20)11(8-16)14-13(17)12(21-2)10-6-4-3-5-7-10/h3-9,11-12,15H,1-2H3,(H,14,17)(H,18,19,20)/t9-,11+,12+/m0/s1","","2025-08-22","2026-02-13","[(2~{S},3~{S})-3-[[(2~{R})-2-methoxy-2-phenyl-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid","2026-02-18"],["YLC","5'-O-[({(2R)-2-amino-6-[(2E)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine","C20 H30 N7 O9 P","O=C(/C=C/C)NCCCCC(N)C(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CC=CC(=O)NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC=CC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C20H30N7O9P/c1-2-5-13(28)23-7-4-3-6-11(21)20(31)36-37(32,33)34-8-12-15(29)16(30)19(35-12)27-10-26-14-17(22)24-9-25-18(14)27/h2,5,9-12,15-16,19,29-30H,3-4,6-8,21H2,1H3,(H,23,28)(H,32,33)(H2,22,24,25)/p-1/b5-2+/t11-,12-,15-,16-,19-/m1/s1","","2013-11-28","2014-03-21","5'-O-[({(2R)-2-amino-6-[(2E)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine","2014-03-26"],["J7M","4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one","C19 H19 N3 O2","Cn1c2ccccc2nc1CCN1CCOc2ccccc2C1=O;Cn1c(CCN2CCOc3ccccc3C2=O)nc4ccccc14;Cn1c2ccccc2nc1CCN3CCOc4ccccc4C3=O","InChI=1S/C19H19N3O2/c1-21-16-8-4-3-7-15(16)20-18(21)10-11-22-12-13-24-17-9-5-2-6-14(17)19(22)23/h2-9H,10-13H2,1H3","","2022-02-01","2022-10-07","4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one","2022-10-12"],["YLD","(1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C21 H30 F N3 O8 S","CC(C)CC(NC(=O)OCc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1cccc(F)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F","InChI=1S/C21H30FN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-2-[(N-{[(3-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["A1JNU","[(2~{S},3~{S})-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]sulfamic acid","C12 H16 N2 O5 S","C[CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1ccccc1)C=O;CC(C(C=O)NC(=O)Cc1ccccc1)NS(=O)(=O)O","InChI=1S/C12H16N2O5S/c1-9(14-20(17,18)19)11(8-15)13-12(16)7-10-5-3-2-4-6-10/h2-6,8-9,11,14H,7H2,1H3,(H,13,16)(H,17,18,19)/t9-,11+/m0/s1","","2025-08-26","2026-02-13","[(2~{S},3~{S})-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]sulfamic acid","2026-02-18"],["YLE","8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one","C15 H12 N2 O2","O=C1NCCc2c1[nH]c3c2cccc3c4cocc4;c1cc2c3c([nH]c2c(c1)c4ccoc4)C(=O)NCC3","InChI=1S/C15H12N2O2/c18-15-14-12(4-6-16-15)11-3-1-2-10(13(11)17-14)9-5-7-19-8-9/h1-3,5,7-8,17H,4,6H2,(H,16,18)","","2023-12-05","2024-09-27","8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one","2024-10-02"],["A1JNV","{(2S,3S)-3-[2-(4-nitrophenyl)acetamido]-4-oxobutan-2-yl}sulfamic acid","C12 H15 N3 O7 S","O=[N+]([O-])c1ccc(CC(=O)NC(C=O)C(C)NS(=O)(=O)O)cc1;C[CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1ccc(cc1)[N+]([O-])=O)C=O;CC(C(C=O)NC(=O)Cc1ccc(cc1)[N+](=O)[O-])NS(=O)(=O)O","InChI=1S/C12H15N3O7S/c1-8(14-23(20,21)22)11(7-16)13-12(17)6-9-2-4-10(5-3-9)15(18)19/h2-5,7-8,11,14H,6H2,1H3,(H,13,17)(H,20,21,22)/t8-,11+/m0/s1","","2025-08-26","2026-04-04","{(2S,3S)-3-[2-(4-nitrophenyl)acetamido]-4-oxobutan-2-yl}sulfamic acid","2026-02-18"],["J7N","2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane","H3 Mo2 O5","O[Mo]1O[Mo](O)(O)O1;O[Mo]1O[Mo](O1)(O)O","InChI=1S/2Mo.3H2O.2O/h;;3*1H2;;/q+1;+2;;;;;/p-3","","2019-02-09","2019-02-15","2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane","2019-02-20"],["A1JNY","2,5-dimethoxy-~{N}-quinolin-3-yl-benzenesulfonamide","C17 H16 N2 O4 S","COc1ccc(OC)c(c1)[S](=O)(=O)Nc2cnc3ccccc3c2;COc1ccc(c(c1)S(=O)(=O)Nc2cc3ccccc3nc2)OC","InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3","","2025-08-27","2025-10-31","2,5-dimethoxy-~{N}-quinolin-3-yl-benzenesulfonamide","2025-11-05"],["J7O","5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide","C31 H28 Br N5 O5","CNC(=O)c1cc(Br)cc(c1N2CC[C]3(C2)CN(C[CH]3c4ccccc4)C(=O)c5cncc6cc(O)ccc56)[N+]([O-])=O;CNC(=O)c1cc(cc(c1N2CCC3(C2)CN(CC3c4ccccc4)C(=O)c5cncc6c5ccc(c6)O)[N+](=O)[O-])Br","InChI=1S/C31H28BrN5O5/c1-33-29(39)24-12-21(32)13-27(37(41)42)28(24)35-10-9-31(17-35)18-36(16-26(31)19-5-3-2-4-6-19)30(40)25-15-34-14-20-11-22(38)7-8-23(20)25/h2-8,11-15,26,38H,9-10,16-18H2,1H3,(H,33,39)/t26-,31+/m1/s1","","2021-04-20","2022-07-15","5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide","2022-07-20"],["YLF","N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide","C46 H59 Cl F N7 O8 S","Cn1cc(c(OC)n1)C(=O)NS1(=O)=NC(=O)c2cc3N(CC4(CCCc5cc(Cl)ccc54)COc3cc2)CC2CCOC2C(CN2CC3COCCN3CC2)(OC)C(F)=CCC(C)C1;COc1nn(C)cc1C(=O)N[S]2(=NC(=O)c3ccc4OC[C]5(CCCc6cc(Cl)ccc56)CN(C[CH]7CCO[CH]7[C](CN8CCN9CCOC[CH]9C8)(OC)C(=CC[CH](C)C2)F)c4c3)=O;CC1CC=C(C(C2C(CCO2)CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)N=S(=O)(C1)NC(=O)c7cn(nc7OC)C)(CN8CCN9CCOCC9C8)OC)F","InChI=1S/C46H59ClFN7O8S/c1-30-7-12-40(48)46(60-4,28-53-15-16-54-17-19-61-25-35(54)23-53)41-33(13-18-62-41)22-55-27-45(14-5-6-31-20-34(47)9-10-37(31)45)29-63-39-11-8-32(21-38(39)55)42(56)50-64(58,26-30)51-43(57)36-24-52(2)49-44(36)59-3/h8-12,20-21,24,30,33,35,41H,5-7,13-19,22-23,25-29H2,1-4H3,(H,50,51,56,57,58)/b40-12-/t30-,33-,35-,41+,45-,46-,64-/m0/s1","","2023-02-09","2023-05-12","N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide","2023-05-17"],["J7Q","tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum","H Mo7 O26","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O[Mo]O[Mo]1O[Mo](O[Mo])O[Mo]O[Mo](O[Mo])O1;O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O]","InChI=1S/7Mo.19H2O.7O/h;;;;;;;19*1H2;;;;;;;/q2*+1;3*+3;2*+4;;;;;;;;;;;;;;;;;;;;;;;;;;/p-19","","2019-02-09","2019-02-15","tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum","2019-02-20"],["YLG","(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline","C10 H13 N","C[CH]1NCCc2ccccc12;CC1c2ccccc2CCN1","InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1","","2015-07-22","2016-05-27","(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline","2016-06-01"],["A1JNZ","Abamectin","C48 H72 O14","CC[CH](C)[CH]1O[C]2(C[CH]3C[CH](CC=C(C)[CH](O[CH]4C[CH](OC)[CH](O[CH]5C[CH](OC)[CH](O)[CH](C)O5)[CH](C)O4)[CH](C)C=CC=C6CO[CH]7[CH](O)C(=C[CH](C(=O)O3)[C]67O)C)O2)C=C[CH]1C;CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C","InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15+,32-14?/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1","(1'R,2R,3S,4'S,6S,8'R,10'E,10'R,12'S,13'S,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3,11',13',22'-tetramethyl-21',24'-bis(oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene]-2'-one","2025-08-27","2026-02-13","(1'~{R},2~{R},3~{S},4'~{S},6~{S},8'~{R},10'~{E},10'~{R},12'~{S},13'~{S},21'~{R},24'~{S})-2-[(2~{S})-butan-2-yl]-12'-[(2~{R},4~{S},5~{S},6~{S})-4-methoxy-5-[(2~{S},4~{S},5~{S},6~{S})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3,11',13',22'-tetramethyl-21',24'-bis(oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene]-2'-one","2026-02-18"],["A1JO8","(2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C30 H41 N5 O7","COCCOCCOc1cc(on1)[CH](C(C)C)C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](C)c3ccc(cc3)n4ccnc4C;Cc1nccn1c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCOCCOC)C(C)C)O","InChI=1S/C30H41N5O7/c1-19(2)28(26-17-27(33-42-26)41-15-14-40-13-12-39-5)30(38)35-18-24(36)16-25(35)29(37)32-20(3)22-6-8-23(9-7-22)34-11-10-31-21(34)4/h6-11,17,19-20,24-25,28,36H,12-16,18H2,1-5H3,(H,32,37)/t20-,24+,25-,28+/m0/s1","","2025-09-15","2026-03-27","(2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2026-04-01"],["YLH","7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H28 F N3 O6 S","C[CH](N1C[CH](CCCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CCCN","InChI=1S/C25H28FN3O6S/c1-14(29-12-17(5-4-10-27)35-25(29)32)18-6-3-7-19-21(23(24(30)31)28-22(18)19)15-8-9-16(20(26)11-15)13-36(2,33)34/h3,6-9,11,14,17,28H,4-5,10,12-13,27H2,1-2H3,(H,30,31)/t14-,17?/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["J7R","~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide","C24 H24 Br N5 O4","CNC(=O)c1cc(Br)cc(c1N[CH]2CCCC[CH]2NC(=O)c3cncc4ccccc34)[N](=O)=O;CNC(=O)c1cc(cc(c1NC2CCCCC2NC(=O)c3cncc4c3cccc4)N(=O)=O)Br","InChI=1S/C24H24BrN5O4/c1-26-23(31)17-10-15(25)11-21(30(33)34)22(17)28-19-8-4-5-9-20(19)29-24(32)18-13-27-12-14-6-2-3-7-16(14)18/h2-3,6-7,10-13,19-20,28H,4-5,8-9H2,1H3,(H,26,31)(H,29,32)/t19-,20+/m1/s1","","2021-04-21","2022-07-15","~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide","2022-07-20"],["YLI","(3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide","C18 H17 Br N2 O2 S","NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1;N[S](=O)(=O)c1ccc2N[CH]([CH]3CC=C[CH]3c2c1)c4ccc(Br)cc4;c1cc(ccc1C2C3CC=CC3c4cc(ccc4N2)S(=O)(=O)N)Br","InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1","","2023-12-05","2024-02-16","(3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide","2024-02-21"],["J7S","4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C16 H12 Cl N5 O2","O=C1CN(c2c(N1)cc(OC)cc2)c4c3c(nccc3)nc(n4)Cl;COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ncccc34;COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl","InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-10-3-2-6-18-14(10)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23)","","2018-08-20","2019-08-16","4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2019-08-21"],["A1JO9","(2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[6-(4-methyl-1,3-thiazol-5-yl)pyridin-3-yl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C29 H39 N5 O7 S","COCCOCCOc1cc(on1)[CH](C(C)C)C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](C)c3ccc(nc3)c4scnc4C;Cc1c(scn1)c2ccc(cn2)C(C)NC(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCOCCOC)C(C)C)O","InChI=1S/C29H39N5O7S/c1-17(2)26(24-13-25(33-41-24)40-11-10-39-9-8-38-5)29(37)34-15-21(35)12-23(34)28(36)32-18(3)20-6-7-22(30-14-20)27-19(4)31-16-42-27/h6-7,13-14,16-18,21,23,26,35H,8-12,15H2,1-5H3,(H,32,36)/t18-,21+,23-,26+/m0/s1","","2025-09-15","2026-03-27","(2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[6-(4-methyl-1,3-thiazol-5-yl)pyridin-3-yl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2026-04-01"],["YLJ","(1S,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C21 H30 F N3 O8 S","CC(C)CC(NC(=O)OCc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1cccc(F)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F","InChI=1S/C21H30FN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-2-[(N-{[(3-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["A1JOH","naphthalen-2-yl ~{N}-methyl-~{N}-[(2~{S},3~{R})-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]carbamate","C25 H27 N3 O2","CN([CH]1C2CCN(CC2)[CH]1Cc3cccnc3)C(=O)Oc4ccc5ccccc5c4;CN(C1C2CCN(C1Cc3cccnc3)CC2)C(=O)Oc4ccc5ccccc5c4","InChI=1S/C25H27N3O2/c1-27(25(29)30-22-9-8-19-6-2-3-7-21(19)16-22)24-20-10-13-28(14-11-20)23(24)15-18-5-4-12-26-17-18/h2-9,12,16-17,20,23-24H,10-11,13-15H2,1H3/t23-,24+/m0/s1","","2025-09-03","2025-11-21","naphthalen-2-yl ~{N}-methyl-~{N}-[(2~{S},3~{R})-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]carbamate","2025-11-26"],["J7T","molybdate cluster","Mo9 O31","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]1O[Mo]2O[Mo]3O[Mo]4(O1)O[Mo]56O[Mo](O[Mo]7O[Mo](O7)(O5)O6)[O]234;[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]","InChI=1S/9Mo.18H2O.13O/h;;;;;;;;;18*1H2;;;;;;;;;;;;;/q2*+1;5*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18","","2019-02-09","2019-02-15","","2019-02-20"],["J7U","chromium-5,10,15,20-tetraphenylporphyrin","C44 H28 Cr N4","[Cr]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5;c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1","InChI=1S/C44H28N4.Cr/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;","","2021-04-21","2022-04-15","","2022-04-20"],["A1JOQ","alpha-presodorifen diphosphate","C16 H30 O7 P2","C[CH]1[CH](C)[C](C)(CCC(C)=CCO[P](O)(=O)O[P](O)(O)=O)C(=C1C)C;CC1C(C(C(=C1C)C)(C)CCC(=CCOP(=O)(O)OP(=O)(O)O)C)C","InChI=1S/C16H30O7P2/c1-11(8-10-22-25(20,21)23-24(17,18)19)7-9-16(6)14(4)12(2)13(3)15(16)5/h8,12,14H,7,9-10H2,1-6H3,(H,20,21)(H2,17,18,19)/b11-8+/t12-,14+,16-/m0/s1","[(~{E})-3-methyl-5-[(1~{S},4~{R},5~{R})-1,2,3,4,5-pentamethylcyclopent-2-en-1-yl]pent-2-enyl] phosphono hydrogen phosphate","2025-09-05","2025-12-26","[(~{E})-3-methyl-5-[(1~{S},4~{R},5~{R})-1,2,3,4,5-pentamethylcyclopent-2-en-1-yl]pent-2-enyl] phosphono hydrogen phosphate","2025-12-31"],["YLK","(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione","C33 H40 Cl F N2 O6 S","Clc1cc2CCCC3(CN4CC5CCOC5C(OC)C(F)=CCC(C)C(C)S(=O)(=O)NC(=O)c5cc4c(cc5)OC3)c2cc1;CO[CH]1[CH]2OCC[CH]2CN3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[S](=O)(=O)[CH](C)[CH](C)CC=C1F;CC1CC=C(C(C2C(CCO2)CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)C1C)OC)F","InChI=1S/C33H40ClFN2O6S/c1-20-6-10-27(35)31(41-3)30-24(12-14-42-30)17-37-18-33(13-4-5-22-15-25(34)8-9-26(22)33)19-43-29-11-7-23(16-28(29)37)32(38)36-44(39,40)21(20)2/h7-11,15-16,20-21,24,30-31H,4-6,12-14,17-19H2,1-3H3,(H,36,38)/b27-10-/t20-,21+,24-,30+,31-,33-/m0/s1","","2023-02-09","2023-05-12","(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione","2023-05-17"],["YLL","(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL","C7 H14 O6","OC1C(C(O)C(O)C(O)C1O)CO;OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1","","2006-11-29","2024-09-27","(1R,2S,3S,4S,5R,6R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol",""],["J7V","3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-ADP","C24 H29 N7 O12 P2","O=C1Oc5cc(N(CC)CC)ccc5C=C1C(=O)NC4C(OC(n3cnc2c(ncnc23)N)C4O)COP([O-])(=O)OP([O-])([O-])=O;CCN(CC)c1ccc2C=C(C(=O)N[CH]3[CH](O)[CH](O[CH]3CO[P](O)(=O)O[P](O)(O)=O)n4cnc5c(N)ncnc45)C(=O)Oc2c1;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC3C(OC(C3O)n4cnc5c4ncnc5N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C24H29N7O12P2/c1-3-30(4-2)13-6-5-12-7-14(24(34)42-15(12)8-13)22(33)29-17-16(9-40-45(38,39)43-44(35,36)37)41-23(19(17)32)31-11-28-18-20(25)26-10-27-21(18)31/h5-8,10-11,16-17,19,23,32H,3-4,9H2,1-2H3,(H,29,33)(H,38,39)(H2,25,26,27)(H2,35,36,37)/t16-,17-,19-,23-/m1/s1","","2011-02-18","2011-06-04","3'-deoxy-3'-({[7-(diethylamino)-2-oxo-2H-chromen-3-yl]carbonyl}amino)-5'-O-[(phosphonatooxy)phosphinato]adenosine",""],["A1JOT","3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid","C19 H15 F3 N2 O2","OC(=O)CCc1cc(n(n1)c2cccc(c2)C(F)(F)F)c3ccccc3;c1ccc(cc1)c2cc(nn2c3cccc(c3)C(F)(F)F)CCC(=O)O","InChI=1S/C19H15F3N2O2/c20-19(21,22)14-7-4-8-16(11-14)24-17(13-5-2-1-3-6-13)12-15(23-24)9-10-18(25)26/h1-8,11-12H,9-10H2,(H,25,26)","","2025-09-10","2025-10-10","3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid","2025-10-15"],["J7W","N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C27 H31 N9 O S","CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nc(N)cc(N)n5)c3;Cc1ccc(cc1Nc2nc(cs2)c3nc(cc(n3)N)N)NC(=O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C27H31N9OS/c1-17-3-8-20(13-21(17)31-27-32-22(16-38-27)25-33-23(28)14-24(29)34-25)30-26(37)19-6-4-18(5-7-19)15-36-11-9-35(2)10-12-36/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,30,37)(H,31,32)(H4,28,29,33,34)","","2022-04-25","2023-06-02","~{N}-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2023-06-07"],["A1JOW","2-(1~{H}-indol-3-yl)-~{N}-[(2-methoxyphenyl)methyl]ethanamine","C18 H20 N2 O","COc1ccccc1CNCCc2c[nH]c3ccccc23;COc1ccccc1CNCCc2c[nH]c3c2cccc3","InChI=1S/C18H20N2O/c1-21-18-9-5-2-6-15(18)12-19-11-10-14-13-20-17-8-4-3-7-16(14)17/h2-9,13,19-20H,10-12H2,1H3","","2025-09-10","2026-01-23","2-(1~{H}-indol-3-yl)-~{N}-[(2-methoxyphenyl)methyl]ethanamine","2026-01-28"],["YLM","(1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C21 H30 F N3 O8 S","CC(C)CC(NC(=O)OCc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1ccc(F)cc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F","InChI=1S/C21H30FN3O8S/c1-12(2)9-16(25-21(29)33-11-13-3-5-15(22)6-4-13)19(27)24-17(20(28)34(30,31)32)10-14-7-8-23-18(14)26/h3-6,12,14,16-17,20,28H,7-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-2-[(N-{[(4-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["YLN","bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide","C10 H10 B F6 N4 O2","Cn1nc(cc1[B-](O)(O)c2cc(nn2C)C(F)(F)F)C(F)(F)F;[B-](c1cc(nn1C)C(F)(F)F)(c2cc(nn2C)C(F)(F)F)(O)O","InChI=1S/C10H10BF6N4O2/c1-20-7(3-5(18-20)9(12,13)14)11(22,23)8-4-6(10(15,16)17)19-21(8)2/h3-4,22-23H,1-2H3/q-1","","2023-06-19","2024-09-27","bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide","2024-01-24"],["J7X","Mn-5,10,15,20-Tetraphenylporphyrin","C44 H28 Mn N4","[Mn]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5;c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1","InChI=1S/C44H28N4.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;","","2021-04-21","2022-04-15","","2022-04-20"],["A1JPQ","~{N}-[(~{S})-[3-[[(6~{R})-3-bromanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide","C21 H27 Br N8 O2","Cc1nonc1C(=O)N[CH](C2CCCCC2)c3[nH]nc(C[CH]4CCc5ncc(Br)n5C4)n3;Cc1c(non1)C(=O)NC(c2[nH]nc(n2)CC3CCc4ncc(n4C3)Br)C5CCCCC5","InChI=1S/C21H27BrN8O2/c1-12-18(29-32-28-12)21(31)25-19(14-5-3-2-4-6-14)20-24-16(26-27-20)9-13-7-8-17-23-10-15(22)30(17)11-13/h10,13-14,19H,2-9,11H2,1H3,(H,25,31)(H,24,26,27)/t13-,19+/m1/s1","","2025-09-22","2025-12-12","~{N}-[(~{S})-[3-[[(6~{R})-3-bromanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide","2025-12-17"],["A1JPU","~{N}-[(~{S})-[3-[[7-bromanyl-3-methyl-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide","C23 H25 Br N8 O4","CN1C(=O)N(Cc2n[nH]c(n2)[CH](NC(=O)c3nonc3C)C4CCCCC4)c5cc(Br)ccc5C1=O;Cc1c(non1)C(=O)NC(c2[nH]nc(n2)CN3c4cc(ccc4C(=O)N(C3=O)C)Br)C5CCCCC5","InChI=1S/C23H25BrN8O4/c1-12-18(30-36-29-12)21(33)26-19(13-6-4-3-5-7-13)20-25-17(27-28-20)11-32-16-10-14(24)8-9-15(16)22(34)31(2)23(32)35/h8-10,13,19H,3-7,11H2,1-2H3,(H,26,33)(H,25,27,28)/t19-/m0/s1","","2025-09-24","2025-12-12","~{N}-[(~{S})-[3-[[7-bromanyl-3-methyl-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide","2025-12-17"],["J7Z","(2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate","C53 H80 O15","O=C(OCC(OC(=O)CC=C/CC=C/CC=C/CC=C/CC=C/CC)COC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)CCCC=C/CC=C/CC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CC=CCC=CCC=CCC=CCC=CCC;CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CC=CCC=CCC=CCC=CCC=CCC","InChI=1S/C53H80O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,32,34,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-,34-32-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1","","2009-08-06","2011-06-04","(2S)-3-{[6-O-(alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate",""],["YLO","1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE","C24 H24 N2 O2 S","n2c1ccccc1n(c2SCCOc3ccccc3)CCOc4ccc(cc4)C;Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1;Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4","InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3","","2011-06-04","2014-09-05","1-[2-(4-methylphenoxy)ethyl]-2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole",""],["YLP","(S)-2-amino-6-propionamidohexanoic(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride","C19 H30 N7 O9 P","O=C(NCCCCC(N)C(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CC;CCC(=O)NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C19H30N7O9P/c1-2-12(27)22-6-4-3-5-10(20)19(30)35-36(31,32)33-7-11-14(28)15(29)18(34-11)26-9-25-13-16(21)23-8-24-17(13)26/h8-11,14-15,18,28-29H,2-7,20H2,1H3,(H,22,27)(H,31,32)(H2,21,23,24)/p-1/t10-,11+,14+,15+,18+/m0/s1","","2013-11-28","2014-03-14","5'-O-({[(2S)-2-amino-6-(propanoylamino)hexanoyl]oxy}phosphinato)adenosine","2014-03-19"],["J80","(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE","C23 H31 N3 O3","O=C(OCC)c3ccc(OCCCCC2CCN(c1nnc(cc1)C)CC2)cc3;CCOC(=O)c1ccc(OCCCCC2CCN(CC2)c3ccc(C)nn3)cc1;CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C","InChI=1S/C23H31N3O3/c1-3-28-23(27)20-8-10-21(11-9-20)29-17-5-4-6-19-13-15-26(16-14-19)22-12-7-18(2)24-25-22/h7-12,19H,3-6,13-17H2,1-2H3","R80633","1999-07-08","2021-03-01","ethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoate",""],["A1JPY","Rentiapril","C13 H15 N O4 S2","OC(=O)[CH]1CS[CH](N1C(=O)CCS)c2ccccc2O;c1ccc(c(c1)C2N(C(CS2)C(=O)O)C(=O)CCS)O","InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)/t9-,12+/m0/s1","(2~{R},4~{R})-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid","2025-09-25","2026-02-13","(2~{R},4~{R})-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid","2026-02-18"],["J81","(5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","C31 H60 N2 O10","CCCCCCCCCNC(CCCC(C(C(NC(CCCCCCC)=O)COC1C(C(C(C(O1)CO)O)O)O)O)O)=O;CCCCCCCCCNC(=O)CCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCC;CCCCCCCCCNC(=O)CCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCC)O)O","InChI=1S/C31H60N2O10/c1-3-5-7-9-10-12-14-19-32-25(36)18-15-16-23(35)27(38)22(33-26(37)17-13-11-8-6-4-2)21-42-31-30(41)29(40)28(39)24(20-34)43-31/h22-24,27-31,34-35,38-41H,3-21H2,1-2H3,(H,32,36)(H,33,37)/t22-,23+,24+,27-,28-,29-,30+,31-/m0/s1","","2018-01-17","2019-01-25","(5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","2019-01-30"],["YLQ","3-[1-[2-(4-METHYLPHENOXY)ETHYL]BENZIMIDAZOL-2-YL]SULFANYLPROPANOIC ACID","C19 H20 N2 O3 S","O=C(O)CCSc2nc1ccccc1n2CCOc3ccc(cc3)C;Cc1ccc(OCCn2c(SCCC(O)=O)nc3ccccc23)cc1;Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O","InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-11-21-17-5-3-2-4-16(17)20-19(21)25-13-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)","","2011-06-04","2014-09-05","3-({1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid",""],["YLR","(3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide","C22 H20 N2 O2 S","NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21;N[S](=O)(=O)c1ccc2N[CH]([CH]3CC=C[CH]3c2c1)c4cccc5ccccc45;c1ccc2c(c1)cccc2C3C4CC=CC4c5cc(ccc5N3)S(=O)(=O)N","InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1","","2023-12-05","2024-02-16","(3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide","2024-02-21"],["J82","2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE","C19 H22 N4 O3","O=C1C=C(N=C(N1)CC(=O)N3c2ccccc2CC3C)N4CCOCC4;C[CH]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4;CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4","InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1","","2013-03-22","2014-09-05","2-{2-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-2-oxoethyl}-6-(morpholin-4-yl)pyrimidin-4(3H)-one","2014-01-15"],["A1JRF","Capmatinib","C23 H17 F N6 O","CNC(=O)c1ccc(cc1F)c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2;CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5c(c4)cccn5","InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)","2-fluoranyl-~{N}-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide","2025-10-10","2026-02-13","2-fluoranyl-~{N}-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide","2026-02-18"],["A1JS8","Cabozantinib","C28 H24 F N3 O5","COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F","InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)","~{N}1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-~{N}1'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; ONIQOQHATWINJY-UHFFFAOYSA-N","2025-10-24","2026-02-13","~{N}1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-~{N}1'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2026-02-18"],["J83","Co-5,10,15,20-Tetraphenylporphyrin ","C44 H28 Co N4","[Co]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3c8ccccc8)C=C7)N15)c9ccccc9)c%10ccccc%10;c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1","InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;","","2021-04-22","2022-04-15","","2022-04-20"],["YLS","(1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C21 H30 F N3 O8 S","CC(C)CC(NC(=O)OCc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1ccc(F)cc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F","InChI=1S/C21H30FN3O8S/c1-12(2)9-16(25-21(29)33-11-13-3-5-15(22)6-4-13)19(27)24-17(20(28)34(30,31)32)10-14-7-8-23-18(14)26/h3-6,12,14,16-17,20,28H,7-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-2-[(N-{[(4-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["YLT","(1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione","C33 H41 Cl N2 O6 S","Clc1cc2CCCC3(CN4CC5CCOC5C(OC)C=CCC(C)C(C)S(=O)(=O)NC(=O)c5cc4c(cc5)OC3)c2cc1;CO[CH]1C=CC[CH](C)[CH](C)[S](=O)(=O)NC(=O)c2ccc3OC[C]4(CCCc5cc(Cl)ccc45)CN(C[CH]6CCO[CH]16)c3c2;CC1CC=CC(C2C(CCO2)CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)C1C)OC","InChI=1S/C33H41ClN2O6S/c1-21-6-4-8-30(40-3)31-25(13-15-41-31)18-36-19-33(14-5-7-23-16-26(34)10-11-27(23)33)20-42-29-12-9-24(17-28(29)36)32(37)35-43(38,39)22(21)2/h4,8-12,16-17,21-22,25,30-31H,5-7,13-15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,30-,31+,33-/m0/s1","","2023-02-09","2023-05-12","(1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione","2023-05-17"],["J84","1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine","C10 H7 Cl2 N7","c1(nnnn1)c3cnn(c2ccc(cc2Cl)Cl)c3N;Nc1n(ncc1c2[nH]nnn2)c3ccc(Cl)cc3Cl;c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N","InChI=1S/C10H7Cl2N7/c11-5-1-2-8(7(12)3-5)19-9(13)6(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18)","","2018-08-21","2019-04-12","1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine","2019-04-17"],["A1JSF","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[3-[4-methyl-6-[[4-[2,2,2-tris(fluoranyl)ethylamino]cyclohexyl]carbamoyl]pyrimidin-2-yl]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C32 H43 F3 N11 O14 P2","Cc1cc(nc(n1)[n+]2ccn(c2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O)C(=O)N[CH]7CC[CH](CC7)NCC(F)(F)F;Cc1cc(nc(n1)[n+]2ccn(c2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)C(=O)NC7CCC(CC7)NCC(F)(F)F","InChI=1S/C32H42F3N11O14P2/c1-15-8-18(28(51)42-17-4-2-16(3-5-17)37-11-32(33,34)35)43-31(41-15)45-7-6-44(14-45)29-24(49)22(47)19(58-29)9-56-61(52,53)60-62(54,55)57-10-20-23(48)25(50)30(59-20)46-13-40-21-26(36)38-12-39-27(21)46/h6-8,12-14,16-17,19-20,22-25,29-30,37,47-50H,2-5,9-11H2,1H3,(H4-,36,38,39,42,51,52,53,54,55)/p+1/t16-,17-,19-,20-,22-,23-,24-,25-,29-,30-/m1/s1","","2025-10-14","2026-02-06","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[3-[4-methyl-6-[[4-[2,2,2-tris(fluoranyl)ethylamino]cyclohexyl]carbamoyl]pyrimidin-2-yl]imidazol-3-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2026-02-11"],["J85","[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum","H3 Mo5 O11","O.O.O.O.O.[Mo].O[Mo]O[Mo]O.O[Mo]O[Mo]=O;O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]","InChI=1S/5Mo.8H2O.3O/h;;;;;8*1H2;;;/q4*+1;+4;;;;;;;;;;;/p-8","","2019-02-09","2019-02-15","[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum","2019-02-20"],["A1JSQ","[(1~{R})-6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] dihydrogen phosphate","C21 H15 O8 P","COc1ccc2c(Oc3cc(O[P](O)(O)=O)ccc3[C]24OC(=O)c5ccccc45)c1;COc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)(O)O","InChI=1S/C21H15O8P/c1-26-12-6-8-16-18(10-12)27-19-11-13(29-30(23,24)25)7-9-17(19)21(16)15-5-3-2-4-14(15)20(22)28-21/h2-11H,1H3,(H2,23,24,25)/t21-/m1/s1","","2025-10-16","2026-03-06","[(1~{R})-6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] dihydrogen phosphate","2026-03-11"],["YLU","(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide","C24 H24 F N7 O","Cc1ncc(nc1)CNC(=O)c1cc(cc(c1)n1nnnc1CCC)c1ccc(C)cc1F;CCCc1nnnn1c2cc(cc(c2)c3ccc(C)cc3F)C(=O)NCc4cnc(C)cn4;CCCc1nnnn1c2cc(cc(c2)C(=O)NCc3cnc(cn3)C)c4ccc(cc4F)C","InChI=1S/C24H24FN7O/c1-4-5-23-29-30-31-32(23)20-10-17(21-7-6-15(2)8-22(21)25)9-18(11-20)24(33)28-14-19-13-26-16(3)12-27-19/h6-13H,4-5,14H2,1-3H3,(H,28,33)","","2023-06-19","2024-12-13","(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide","2024-12-18"],["A1JSR","Glesatinib","C31 H27 F2 N5 O3 S2","COCCNCc1ccc(nc1)c2sc3c(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3c2;COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccc(cc5)F","InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)","~{N}-[[3-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide","2025-10-17","2026-02-13","~{N}-[[3-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide","2026-02-18"],["YLV","(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid","C21 H24 F5 N3 O8 S","O=C1NC=CC1CC(NC(=O)C(CC(C)C)NC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F","InChI=1S/C21H24F5N3O8S/c1-8(2)5-11(29-21(33)37-7-10-13(22)15(24)17(26)16(25)14(10)23)19(31)28-12(20(32)38(34,35)36)6-9-3-4-27-18(9)30/h3-4,8-9,11-12,20,32H,5-7H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t9-,11-,12-,20+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]-2-[(N-{[(pentafluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","2021-03-24"],["J86","[(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid","C11 H13 Br N3 O5 P","C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O;CC(NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O","InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1","","2021-04-23","2021-06-25","[(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid","2021-06-30"],["J87","N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide","C20 H20 N4 O3 S","c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4;COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4;COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4","InChI=1S/C20H20N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,25)","","2018-08-22","2019-02-08","N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide","2019-02-13"],["YLW","2,5-bis(fluoranyl)pyridine-3-carbonitrile","C6 H2 F2 N2","Fc1cnc(F)c(c1)C#N;c1c(cnc(c1C#N)F)F","InChI=1S/C6H2F2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H","","2023-12-05","2024-11-22","2,5-bis(fluoranyl)pyridine-3-carbonitrile","2024-11-27"],["A1JTC","(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[2-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C58 H82 N8 O14 S2","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[CH](C(=O)N4C[CH](O)C[CH]4C(=O)NCc5ccc(cc5)c6scnc6C)C(C)(C)C)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NCc5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C)O","InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12-40)50-38(2)62-36-82-50/h9-16,35-36,43-46,51-52,67-68H,17-34H2,1-8H3,(H,59,71)(H,60,72)(H,63,69)(H,64,70)/t43-,44-,45+,46+,51-,52-/m1/s1","homoPROTAC CM11","2025-10-29","2025-11-28","(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[2-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2025-12-03"],["A1JTN","dirhodium tetraacetate","C8 H12 O8 Rh2","[Rh].CC(=O)O[Rh](OC(=O)C)(OC(=O)C)OC(=O)C;CC1=O[Rh]234O=C(O[Rh]2(O1)(OC(=O3)C)OC(=O4)C)C","InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4;;/h4*1H3,(H,3,4);;/q;;;;;+4/p-4","","2025-11-04","2025-12-12","","2025-12-17"],["J88","(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime","C23 H17 F N2 O4","O=C3C(=NO)/c2c(c1ccccc1)cccc2N3Cc5cc(F)cc4c5OCOC4;ON=C1C(=O)N(Cc2cc(F)cc3COCOc23)c4cccc(c5ccccc5)c14;c1ccc(cc1)c2cccc3c2C(=NO)C(=O)N3Cc4cc(cc5c4OCOC5)F","InChI=1S/C23H17FN2O4/c24-17-9-15(22-16(10-17)12-29-13-30-22)11-26-19-8-4-7-18(14-5-2-1-3-6-14)20(19)21(25-28)23(26)27/h1-10,28H,11-13H2/b25-21-","","2009-02-16","2011-06-04","(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime",""],["YLX","Buspirone","C21 H31 N5 O2","O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1;O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4;c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O","InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2","Buspirone","2023-02-09","2024-05-10","8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione","2024-05-15"],["A1JTY","Bempedoic acid","C19 H36 O5","CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O;CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O","InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)","2,2,14,14-tetramethyl-8-oxidanyl-pentadecanedioic acid","2025-11-06","2025-12-12","2,2,14,14-tetramethyl-8-oxidanyl-pentadecanedioic acid","2025-12-17"],["J89","(2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol","C19 H34 N O5 P","CCCCCCCCc1ccc(CC[C](N)(CO)CO[P](O)(O)=O)cc1;CCCCCCCCc1ccc(cc1)CCC(CO)(COP(=O)(O)O)N","InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1","","2021-04-23","2021-09-24","[(2~{S})-2-azanyl-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate","2021-09-29"],["YLY","(2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL HYDROGEN (R)-PHOSPHATE","C22 H35 N8 O9 P","O=C(NCCCCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4C;C[CH]1CCN[CH]1C(=O)NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CC1CCNC1C(=O)NCCCCC(C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C22H35N8O9P/c1-11-5-7-25-14(11)20(33)26-6-3-2-4-12(23)22(34)39-40(35,36)37-8-13-16(31)17(32)21(38-13)30-10-29-15-18(24)27-9-28-19(15)30/h9-14,16-17,21,25,31-32H,2-8,23H2,1H3,(H,26,33)(H,35,36)(H2,24,27,28)/t11-,12-,13+,14+,16+,17-,21-/m1/s1","","2007-06-08","2011-06-04","(2R)-2-amino-6-({[(2S,3R)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name)",""],["A1JU6","4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1~{S},5~{R})-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol","C33 H34 F3 N5 O2","C[C]12CC[CH](CN(C1)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(c(F)cc36)c7cc(O)cc8ccccc78)N2;CC12CCC(N1)CN(C2)c3c4cc(c(c(c4nc(n3)OCC56CCCN5CC(C6)F)F)c7cc(cc8c7cccc8)O)F","InChI=1S/C33H34F3N5O2/c1-32-9-7-21(39-32)16-40(17-32)30-25-13-26(35)27(24-12-22(42)11-19-5-2-3-6-23(19)24)28(36)29(25)37-31(38-30)43-18-33-8-4-10-41(33)15-20(34)14-33/h2-3,5-6,11-13,20-21,39,42H,4,7-10,14-18H2,1H3/t20-,21-,32+,33+/m1/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2025-11-26","2026-04-17","4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1~{S},5~{R})-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol","2026-04-22"],["YLZ","[(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid","C8 H12 B F3 N2 O4","Cn1nc(cc1B(O)OC[CH](O)CO)C(F)(F)F;B(c1cc(nn1C)C(F)(F)F)(O)OCC(CO)O","InChI=1S/C8H12BF3N2O4/c1-14-7(2-6(13-14)8(10,11)12)9(17)18-4-5(16)3-15/h2,5,15-17H,3-4H2,1H3","","2023-06-19","2024-01-19","[(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid","2024-01-24"],["J8A","3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide","C29 H27 F3 N6 O2 S","c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5;FC(F)(F)c1cc(NC(=O)c2cccc(c2)c3ccc4nc(NC(=O)C5CC5)sc4n3)ccc1CN6CCNCC6;c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6","InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)","","2018-08-22","2019-02-15","3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide","2019-02-20"],["YM0","3-azanylpyrazine-2,6-dicarbonitrile","C6 H3 N5","Nc1ncc(nc1C#N)C#N;c1c(nc(c(n1)N)C#N)C#N","InChI=1S/C6H3N5/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,(H2,9,10)","","2023-12-05","2024-11-22","3-azanylpyrazine-2,6-dicarbonitrile","2024-11-27"],["A1JU7","4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-chloranyl-naphthalen-2-ol","C31 H30 Cl F3 N4 O3","Oc1cc2cccc(Cl)c2c(c1)c3c(F)cc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7CCCOCC7;c1cc2cc(cc(c2c(c1)Cl)c3c(cc4c(c3F)nc(nc4N5CCCOCC5)OCC67CCCN6CC(C7)F)F)O","InChI=1S/C31H30ClF3N4O3/c32-23-5-1-4-18-12-20(40)13-21(25(18)23)26-24(34)14-22-28(27(26)35)36-30(37-29(22)38-7-3-10-41-11-9-38)42-17-31-6-2-8-39(31)16-19(33)15-31/h1,4-5,12-14,19,40H,2-3,6-11,15-17H2/t19-,31+/m1/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2025-11-26","2026-04-17","4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-chloranyl-naphthalen-2-ol","2026-04-22"],["J8B","Molybdate cluster","Mo8 O26","O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4;[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]","InChI=1S/8Mo.14H2O.12O/h;;;;;;;;14*1H2;;;;;;;;;;;;/q2*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14","","2019-02-09","2019-02-15","","2019-02-20"],["A1JU8","(6~{S})-4-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-6-methyl-1,4-oxazepan-6-ol","C34 H33 F3 N4 O4","C[C]1(O)COCCN(C1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(c(F)cc25)c6cc(O)cc7cccc(C#C)c67;CC1(CN(CCOC1)c2c3cc(c(c(c3nc(n2)OCC45CCCN4CC(C5)F)F)c6cc(cc7c6c(ccc7)C#C)O)F)O","InChI=1S/C34H33F3N4O4/c1-3-20-6-4-7-21-12-23(42)13-24(27(20)21)28-26(36)14-25-30(29(28)37)38-32(39-31(25)40-10-11-44-18-33(2,43)17-40)45-19-34-8-5-9-41(34)16-22(35)15-34/h1,4,6-7,12-14,22,42-43H,5,8-11,15-19H2,2H3/t22-,33+,34+/m1/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2025-11-26","2026-04-17","(6~{S})-4-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-6-methyl-1,4-oxazepan-6-ol","2026-04-22"],["YM1","(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid","C21 H24 F5 N3 O8 S","O=C1NC=CC1CC(NC(=O)C(CC(C)C)NC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F","InChI=1S/C21H24F5N3O8S/c1-8(2)5-11(29-21(33)37-7-10-13(22)15(24)17(26)16(25)14(10)23)19(31)28-12(20(32)38(34,35)36)6-9-3-4-27-18(9)30/h3-4,8-9,11-12,20,32H,5-7H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t9-,11-,12-,20-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]-2-[(N-{[(pentafluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","2021-03-24"],["J8C","1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid","C29 H35 F3 N2 O3","CCc1cc(ccc1CN2CC(C2)C(O)=O)C(C)=NOCc3ccc(C4CCCCC4)c(c3)C(F)(F)F;CCc1cc(ccc1CN2CC(C2)C(=O)O)C(=NOCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)C","InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+","","2021-04-23","2021-09-24","1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid","2021-09-29"],["A1JU9","(1~{S},5~{S},6~{R})-3-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octan-6-ol","C36 H36 F3 N5 O3","C[C]12C[CH](O)[C](C)(CN(C1)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(c(F)cc36)c7cc(O)cc8cccc(C#C)c78)N2;CC12CC(C(N1)(CN(C2)c3c4cc(c(c(c4nc(n3)OCC56CCCN5CC(C6)F)F)c7cc(cc8c7c(ccc8)C#C)O)F)C)O","InChI=1S/C36H36F3N5O3/c1-4-20-7-5-8-21-11-23(45)12-24(28(20)21)29-26(38)13-25-31(30(29)39)40-33(47-19-36-9-6-10-44(36)16-22(37)14-36)41-32(25)43-17-34(2)15-27(46)35(3,18-43)42-34/h1,5,7-8,11-13,22,27,42,45-46H,6,9-10,14-19H2,2-3H3/t22-,27-,34+,35+,36+/m1/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2025-11-26","2026-04-17","(1~{S},5~{S},6~{R})-3-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octan-6-ol","2026-04-22"],["J8D","5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one","C16 H12 O6","COc1c(O)cc(cc1)C=3Oc2cc(O)cc(c2C(C=3)=O)O;COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2;COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3","diosmetin","2018-08-22","2021-03-01","5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one","2019-01-23"],["YM2","1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE","C23 H30 N4 O3","O=C2N(c1ccncc1)CCN2CCC(CCOc3ccc(C=NOCC)cc3)C;CCON=Cc1ccc(OCC[CH](C)CCN2CCN(C2=O)c3ccncc3)cc1;CCON=Cc1ccc(cc1)OCCC(C)CCN2CCN(C2=O)c3ccncc3","InChI=1S/C23H30N4O3/c1-3-30-25-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-26-15-16-27(23(26)28)21-8-12-24-13-9-21/h4-9,12-13,18-19H,3,10-11,14-17H2,1-2H3/b25-18+/t19-/m0/s1","","2013-11-06","2014-09-05","1-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-3-(pyridin-4-yl)imidazolidin-2-one","2014-02-12"],["YM3","ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE","C14 H19 N5 O3","O=C(OCC)c1c(c2cnnc2nc1)N3CC(OCC3)CN;CCOC(=O)c1cnc2[nH]ncc2c1N3CCO[CH](CN)C3;CCOC(=O)c1cnc2c(c1N3CCOC(C3)CN)cn[nH]2","InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)/t9-/m0/s1","","2011-06-06","2014-09-05","ethyl 4-[(2S)-2-(aminomethyl)morpholin-4-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate",""],["A1JUV","3-but-3-enoxy-1~{H}-quinolin-2-one","C13 H13 N O2","C=CCCOC1=Cc2ccccc2NC1=O;C=CCCOC1=Cc2ccccc2NC1=O","InChI=1S/C13H13NO2/c1-2-3-8-16-12-9-10-6-4-5-7-11(10)14-13(12)15/h2,4-7,9H,1,3,8H2,(H,14,15)","","2025-11-21","2026-03-20","3-but-3-enoxy-1~{H}-quinolin-2-one","2026-03-25"],["J8E","oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum","H2 Mo4 O10","O.O.O.O.O.O[Mo]O[Mo]O[Mo]O[Mo]O;O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O]","InChI=1S/4Mo.7H2O.3O/h;;;;7*1H2;;;/q2*+1;+2;+3;;;;;;;;;;/p-7","","2019-02-09","2019-02-15","oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum","2019-02-20"],["A1JUW","1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-dione","C17 H11 N O3 S","O=C1CCC(=O)N1c2ccc3Sc4ccccc4C(=O)c3c2;c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4=O","InChI=1S/C17H11NO3S/c19-15-7-8-16(20)18(15)10-5-6-14-12(9-10)17(21)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2","","2025-11-21","2026-03-20","1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-dione","2026-03-25"],["YM4","6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE","C26 H31 Br N8 O","Brc4cnc3nc(c2ccc(N1CCN(C)CC1)cc2)nc3c4N6CCN(Cc5noc(c5)C)CC6;CN1CCN(CC1)c2ccc(cc2)c3[nH]c4c(ncc(Br)c4N5CCN(CC5)Cc6cc(C)on6)n3;Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br","InChI=1S/C26H31BrN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30)","","2010-02-17","2011-06-04","6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridine",""],["J8F","4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile","C19 H17 N3 O","CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N;CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N","InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+","","2021-04-23","2021-11-19","4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile","2021-11-24"],["YM5","(3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL","C18 H21 N5 O2","n1cnc4c(c1N2CC(OCC2)CN)c(c3cccc(c3)CO)cn4;NC[CH]1CN(CCO1)c2ncnc3[nH]cc(c4cccc(CO)c4)c23;c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOC(C4)CN)CO","InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)/t14-/m0/s1","","2011-06-06","2014-09-05","(3-{4-[(2S)-2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol",""],["A1JUX","(1R,10S,12S)-15-oxa-3-azatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one","C13 H13 N O2","O=C1Nc2ccccc2[CH]3C[CH]4CCO[C]134;c1ccc2c(c1)C3CC4C3(C(=O)N2)OCC4","InChI=1S/C13H13NO2/c15-12-13-8(5-6-16-13)7-10(13)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13-/m1/s1","","2025-11-21","2026-03-20","","2026-03-25"],["J8G","2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one","C16 H12 O7","c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O;COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O;COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O","InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3","rhamnetin","2018-08-22","2021-03-01","2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one","2019-01-23"],["J8H","(3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid","C27 H28 N4 O6 S","COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C)c(CN4CCOc5ccccc5[S]4(=O)=O)c3;Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)C(CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C","InChI=1S/C27H28N4O6S/c1-17-8-9-18(12-20(17)16-31-10-11-37-23-6-4-5-7-25(23)38(31,34)35)21(15-26(32)33)19-13-22-27(24(14-19)36-3)30(2)29-28-22/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,32,33)/t21-/m0/s1","","2019-02-09","2019-04-19","(3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid","2019-04-24"],["YM6","1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine","C14 H16 N6 O","NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23;c1cncc2c1c3c([nH]2)ncnc3N4CCOC(C4)CN","InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1","","2011-06-06","2023-09-23","[(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine",""],["A1JV9","(1~{R},2~{S},4~{R},5~{S},6~{S},7~{S})-7-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]tricyclo[3.2.2.0^{2,4}]nonane-6-carboxylic acid","C20 H18 F2 N6 O2","OC(=O)[CH]1[CH]2CC[CH]([CH]3C[CH]23)[CH]1Nc4nc(ncc4F)c5n[nH]c6ncc(F)cc56;c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)NC4C5CCC(C4C(=O)O)C6C5C6)F)F","InChI=1S/C20H18F2N6O2/c21-7-3-12-16(27-28-17(12)23-5-7)19-24-6-13(22)18(26-19)25-15-9-2-1-8(10-4-11(9)10)14(15)20(29)30/h3,5-6,8-11,14-15H,1-2,4H2,(H,29,30)(H,23,27,28)(H,24,25,26)/t8-,9+,10-,11+,14-,15-/m0/s1","CRA_7806","2025-12-04","2026-01-23","(1~{R},2~{S},4~{R},5~{S},6~{S},7~{S})-7-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]tricyclo[3.2.2.0^{2,4}]nonane-6-carboxylic acid","2026-01-28"],["A1JVF","1-[2-(3-oxidanylidene-6-phenyl-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid","C23 H24 N2 O5","OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)COc3ccc(cc23)c4ccccc4;c1ccc(cc1)c2ccc3c(c2)N(C(=O)CO3)CC(=O)NC4(CCCCC4)C(=O)O","InChI=1S/C23H24N2O5/c26-20(24-23(22(28)29)11-5-2-6-12-23)14-25-18-13-17(16-7-3-1-4-8-16)9-10-19(18)30-15-21(25)27/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,24,26)(H,28,29)","","2025-11-27","2026-04-17","1-[2-(3-oxidanylidene-6-phenyl-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid","2026-04-22"],["J8I","~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide","C22 H29 N3 O3 S","CCC(=O)N(C1CCN(CC1)CCc2ccc(cc2)[S](N)(=O)=O)c3ccccc3;CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C22H29N3O3S/c1-2-22(26)25(19-6-4-3-5-7-19)20-13-16-24(17-14-20)15-12-18-8-10-21(11-9-18)29(23,27)28/h3-11,20H,2,12-17H2,1H3,(H2,23,27,28)","","2023-08-07","2023-09-15","~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide","2023-09-20"],["YM7","5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile","C15 H18 N8","N#Cc1ncc(nc1)Nc3ncnc(NCC2CCNCC2)c3;N#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1;c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3","InChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)","","2011-06-06","2014-09-05","5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile",""],["A1JVG","1-[2-(2-oxidanylidene-5-phenyl-1,3-benzoxazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid","C22 H22 N2 O5","OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Oc3ccc(cc23)c4ccccc4;c1ccc(cc1)c2ccc3c(c2)N(C(=O)O3)CC(=O)NC4(CCCCC4)C(=O)O","InChI=1S/C22H22N2O5/c25-19(23-22(20(26)27)11-5-2-6-12-22)14-24-17-13-16(15-7-3-1-4-8-15)9-10-18(17)29-21(24)28/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25)(H,26,27)","1-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]cyclohexane-1-carboxylic acid","2025-11-27","2026-04-17","1-[2-(2-oxidanylidene-5-phenyl-1,3-benzoxazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid","2026-04-22"],["J8J","5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide","C26 H23 N5 O4","O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(=CNC1=O)C1CC1)c1ccccc1;O=C1NC=C(C=C1C(=O)Nc2cc3nc([nH]c3cc2C(=O)NC4COC4)c5ccccc5)C6CC6;c1ccc(cc1)c2[nH]c3cc(c(cc3n2)NC(=O)C4=CC(=CNC4=O)C5CC5)C(=O)NC6COC6","InChI=1S/C26H23N5O4/c32-24-19(8-16(11-27-24)14-6-7-14)26(34)31-20-10-22-21(9-18(20)25(33)28-17-12-35-13-17)29-23(30-22)15-4-2-1-3-5-15/h1-5,8-11,14,17H,6-7,12-13H2,(H,27,32)(H,28,33)(H,29,30)(H,31,34)","","2022-02-01","2022-10-07","5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide","2022-10-12"],["YM8","(R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE","C19 H19 Cl N6 O","Clc2cccc1cc(ncc12)Nc3nc(OC(CN(C)C)C)c(nc3)C#N;C[CH](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N;CC(CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N","InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1","","2011-06-06","2014-09-05","5-[(8-chloroisoquinolin-3-yl)amino]-3-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}pyrazine-2-carbonitrile",""],["YM9","(5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid","C15 H10 Cl F N2 O2","Fc1cc(c2cc3nc[NH]c3c(c2)C(=O)O)c(Cl)cc1C;Cc1cc(Cl)c(cc1F)c2cc3nc[nH]c3c(c2)C(O)=O;Cc1cc(c(cc1F)c2cc(c3c(c2)nc[nH]3)C(=O)O)Cl","InChI=1S/C15H10ClFN2O2/c1-7-2-11(16)9(5-12(7)17)8-3-10(15(20)21)14-13(4-8)18-6-19-14/h2-6H,1H3,(H,18,19)(H,20,21)","","2023-02-09","2024-02-16","(5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid","2024-02-21"],["J8L","4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile","C19 H20 N6","CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N;CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N","InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+","","2021-04-23","2021-11-19","4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile","2021-11-24"],["A1JVH","1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid","C16 H17 Cl N2 O4 S","OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(Cl)cc23;c1cc2c(cc1Cl)N(C(=O)S2)CC(=O)NC3(CCCCC3)C(=O)O","InChI=1S/C16H17ClN2O4S/c17-10-4-5-12-11(8-10)19(15(23)24-12)9-13(20)18-16(14(21)22)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,20)(H,21,22)","1-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]cyclohexane-1-carboxylic acid","2025-11-27","2026-04-17","1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid","2026-04-22"],["A1JWF","2-Tellurophenealanine","C7 H9 N O2 Te","N[CH](Cc1[te]ccc1)C(O)=O;C1=C[Te]C(=C1)CC(C(=O)O)N","InChI=1S/C7H9NO2Te/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1","(2S)-2-azanyl-3-tellurophen-2-yl-propanoic acid","2025-12-11","2025-12-19","(2~{S})-2-azanyl-3-tellurophen-2-yl-propanoic acid","2025-12-24"],["J8N","4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide","C16 H17 Cl N2 O4 S2","N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2ccccc2)cc1Cl;c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl","InChI=1S/C16H17ClN2O4S2/c17-13-10-14(24-11-5-2-1-3-6-11)12(9-15(13)25(18,22)23)16(21)19-7-4-8-20/h1-3,5-6,9-10,20H,4,7-8H2,(H,19,21)(H2,18,22,23)","","2019-02-11","2020-02-21","4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide","2020-02-26"],["YMA","7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOXO-4,7,10,13,16-PENTAAZA-1,19-DITHIANONADECANE","C18 H33 N5 O8 S2","O=C(NCCS)CN(CCN(CC(=O)O)CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O;OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCS)CCN(CC(O)=O)CC(=O)NCCS;C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/C18H33N5O8S2/c24-14(19-1-7-32)9-22(12-17(28)29)5-3-21(11-16(26)27)4-6-23(13-18(30)31)10-15(25)20-2-8-33/h32-33H,1-13H2,(H,19,24)(H,20,25)(H,26,27)(H,28,29)(H,30,31)","","2004-10-14","2024-09-27","N,N-bis{2-[(carboxymethyl){2-oxo-2-[(2-sulfanylethyl)amino]ethyl}amino]ethyl}glycine",""],["J8O","4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile","C17 H15 N5 O","CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N;CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N","InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+","","2021-04-23","2021-11-19","4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile","2021-11-24"],["YMB","7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C26 H29 F N4 O6 S","C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CN5CC(C5)N","InChI=1S/C26H29FN4O6S/c1-14(31-12-18(37-26(31)34)11-30-9-17(28)10-30)19-4-3-5-20-22(24(25(32)33)29-23(19)20)15-6-7-16(21(27)8-15)13-38(2,35)36/h3-8,14,17-18,29H,9-13,28H2,1-2H3,(H,32,33)/t14-,18-/m0/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["A1JWQ","5-[(3-tert-butylphenoxy)methyl]-1-methyl-3-oxidanyl-pyrazole-4-carboxylic acid","C16 H20 N2 O4","Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(C)(C)C;CC(C)(C)c1cccc(c1)OCc2c(c(nn2C)O)C(=O)O","InChI=1S/C16H20N2O4/c1-16(2,3)10-6-5-7-11(8-10)22-9-12-13(15(20)21)14(19)17-18(12)4/h5-8H,9H2,1-4H3,(H,17,19)(H,20,21)","3-hydroxy-1-methyl pyrazole derivative","2025-12-16","2026-03-27","5-[(3-~{tert}-butylphenoxy)methyl]-1-methyl-3-oxidanyl-pyrazole-4-carboxylic acid","2026-04-01"],["A1JWR","1-methyl-3-oxidanyl-5-[[[3-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]amino]methyl]pyrazole-4-carboxylic acid","C12 H12 F5 N3 O3 S","Cn1nc(O)c(C(O)=O)c1CNc2cccc(c2)[S](F)(F)(F)(F)F;Cn1c(c(c(n1)O)C(=O)O)CNc2cccc(c2)S(F)(F)(F)(F)F","InChI=1S/C12H12F5N3O3S/c1-20-9(10(12(22)23)11(21)19-20)6-18-7-3-2-4-8(5-7)24(13,14,15,16)17/h2-5,18H,6H2,1H3,(H,19,21)(H,22,23)","3-hydroxy-1-methyl pyrazole derivative","2025-12-16","2026-03-27","1-methyl-3-oxidanyl-5-[[[3-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]amino]methyl]pyrazole-4-carboxylic acid","2026-04-01"],["YMC","4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol","C19 H14 N2 O3","Oc1cccc(c1)c2ccc(Nc3cccc4onc(O)c34)cc2;c1cc(cc(c1)O)c2ccc(cc2)Nc3cccc4c3c(no4)O","InChI=1S/C19H14N2O3/c22-15-4-1-3-13(11-15)12-7-9-14(10-8-12)20-16-5-2-6-17-18(16)19(23)21-24-17/h1-11,20,22H,(H,21,23)","4-[(3'-hydroxy[1,1'-biphenyl]-4-yl)amino]-1,2-benzoxazol-3-ol","2023-12-05","2024-03-01","4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol","2024-03-06"],["J8Q","~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide","C19 H23 Cl N2 O3 S2","CCCCNC(=O)c1cc(c(Cl)cc1SCCc2ccccc2)[S](N)(=O)=O;CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N","InChI=1S/C19H23ClN2O3S2/c1-2-3-10-22-19(23)15-12-18(27(21,24)25)16(20)13-17(15)26-11-9-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3,(H,22,23)(H2,21,24,25)","","2019-02-11","2020-02-21","~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide","2020-02-26"],["J8R","4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile","C18 H16 N4 O","CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N;CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N","InChI=1S/C18H16N4O/c1-22(8-9-23)18-7-4-15(13-21-18)10-17(12-20)16-5-2-14(11-19)3-6-16/h2-7,10,13,23H,8-9H2,1H3/b17-10+","","2021-04-26","2021-11-19","4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile","2021-11-24"],["YMD","(1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H39 N3 O8 S","CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CCC(C)(C)CC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C","InChI=1S/C22H39N3O8S/c1-13(2)11-16(25-21(29)33-15-5-8-22(3,4)9-6-15)19(27)24-17(20(28)34(30,31)32)12-14-7-10-23-18(14)26/h13-17,20,28H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-2-[(N-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["A1JWS","Oxythiamine","C12 H16 N3 O2 S","CC1=NC=C(C[n+]2csc(CCO)c2C)C(=O)N1;Cc1c(sc[n+]1CC2=CN=C(NC2=O)C)CCO","InChI=1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1","5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one","2025-12-16","2026-01-23","5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1~{H}-pyrimidin-6-one","2026-01-28"],["J8S","(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone","C21 H25 N O2 S","c1c(SC)ccc(c1OC)C(N3CCC(Cc2ccccc2)CC3)=O;COc1cc(SC)ccc1C(=O)N2CCC(CC2)Cc3ccccc3;COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC","InChI=1S/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3","","2018-08-23","2019-04-12","(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone","2019-04-17"],["YME","(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid","C16 H10 Cl N O3","O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O;OC(=O)c1cc(nc2c(Cl)cccc12)c3ccccc3O;c1ccc(c(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O)O","InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)","","2023-02-09","2024-02-16","(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid","2024-02-21"],["A1JXD","(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","C16 H19 N3 O4 S","C[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C=O;CC1CSC(N=C1C(=O)O)C(C=O)NC(=O)C(c2ccccc2)N","InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,9,11-12,15H,8,17H2,1H3,(H,18,21)(H,22,23)/t9?,11-,12-,15-/m1/s1","","2026-01-12","2026-02-13","(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2026-02-18"],["YMF","7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","C21 H25 N5 O4","C[CH](CN)C[CH]1CN([CH](C)c2cccc3c2[nH]c(C(O)=O)c3c4c[nH]nc4)C(=O)O1;CC(CC1CN(C(=O)O1)C(C)c2cccc3c2[nH]c(c3c4c[nH]nc4)C(=O)O)CN","InChI=1S/C21H25N5O4/c1-11(7-22)6-14-10-26(21(29)30-14)12(2)15-4-3-5-16-17(13-8-23-24-9-13)19(20(27)28)25-18(15)16/h3-5,8-9,11-12,14,25H,6-7,10,22H2,1-2H3,(H,23,24)(H,27,28)/t11-,12+,14-/m1/s1","","2023-06-19","2024-07-05","7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["J8T","[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","C6 H14 N O6 P","CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O;CC(C)(COP(=O)(O)O)C(C(=O)N)O","InChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1","","2019-02-11","2024-09-27","[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","2020-03-18"],["A1JXR","Molecular tweezer (BIRC5)","C46 H37 N3 O8 P2","O[P](O)(=O)Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(=O)OCCc8c[nH]nn8)c9[CH]%10C[CH](c%11cc%12[CH]%13C[CH](c%14ccccc%13%14)c%12cc%10%11)c19;c1ccc2c(c1)C3CC2c4c3cc5c(c4)C6CC5c7c6c(c8c(c7OP(=O)(O)O)C9CC8c1c9cc2c(c1)C1CC2c2c1cccc2)OP(=O)(O)OCCc1c[nH]nn1","InChI=1S/C46H37N3O8P2/c50-58(51,52)56-45-41-37-17-39(35-15-31-27-11-25(29(31)13-33(35)37)21-5-1-3-7-23(21)27)43(41)46(57-59(53,54)55-10-9-20-19-47-49-48-20)44-40-18-38(42(44)45)34-14-30-26-12-28(32(30)16-36(34)40)24-8-4-2-6-22(24)26/h1-8,13-16,19,25-28,37-40H,9-12,17-18H2,(H,53,54)(H,47,48,49)(H2,50,51,52)/t25-,26+,27+,28-,37-,38+,39+,40-","","2026-01-14","2026-04-10","","2026-04-15"],["J8U","4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile","C21 H22 N4","CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N;CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N","InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+","","2021-04-26","2021-11-19","4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile","2021-11-24"],["A1JZ3","Rhodium tetraacetate dihydrate","C8 H14 O10 Rh2","CC1=[O+][Rh]234(=[Rh](O)(O1)(OC(=[O+]2)C)([O+]=C(C)O3)[O+]=C(C)O4)O;CC1=[O+][Rh]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C)([O+]=C(O4)C)O)O","InChI=1S/4C2H4O2.2H2O.2Rh/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H2;;/q;;;;;;2*+5/p-6","Rhodium(II) acetate dimer dihydrate","2026-02-17","2026-03-06","","2026-03-11"],["YMG","(1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C22 H39 N3 O8 S","CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CCC(C)(C)CC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C","InChI=1S/C22H39N3O8S/c1-13(2)11-16(25-21(29)33-15-5-8-22(3,4)9-6-15)19(27)24-17(20(28)34(30,31)32)12-14-7-10-23-18(14)26/h13-17,20,28H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-2-[(N-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-03-24"],["YMH","~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide","C23 H22 N4 O3","CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34;Cc1cc(c(cc1Oc2ccncc2)C(C)C)NC(=O)c3c4ccccn4nc3O","InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29)","","2023-12-05","2024-06-14","~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide","2024-06-19"],["J8V","3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid","C20 H13 F3 N2 O5","C=2(Oc1ccccc1)C=C(C(F)(F)F)NC(C=2C(=O)Nc3cc(ccc3)C(O)=O)=O;OC(=O)c1cccc(NC(=O)C2=C(Oc3ccccc3)C=C(NC2=O)C(F)(F)F)c1;c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C20H13F3N2O5/c21-20(22,23)15-10-14(30-13-7-2-1-3-8-13)16(18(27)25-15)17(26)24-12-6-4-5-11(9-12)19(28)29/h1-10H,(H,24,26)(H,25,27)(H,28,29)","","2018-08-23","2019-03-29","3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid","2019-04-03"],["A1JZR","(3~{S})-3-[(~{Z})-[11-[2,2-bis(fluoranyl)ethyl]-8-chloranyl-3-fluoranyl-5~{H}-benzo[b][1,4]benzodiazepin-6-ylidene]amino]-~{N}-propan-2-yl-pyrrolidine-1-carboxamide","C23 H25 Cl F3 N5 O","CC(C)NC(=O)N1CC[CH](C1)N=C2Nc3cc(F)ccc3N(CC(F)F)c4ccc(Cl)cc24;CC(C)NC(=O)N1CCC(C1)N=C2c3cc(ccc3N(c4ccc(cc4N2)F)CC(F)F)Cl","InChI=1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1","","2026-02-12","2026-03-27","(3~{S})-3-[(~{Z})-[11-[2,2-bis(fluoranyl)ethyl]-8-chloranyl-3-fluoranyl-5~{H}-benzo[b][1,4]benzodiazepin-6-ylidene]amino]-~{N}-propan-2-yl-pyrrolidine-1-carboxamide","2026-04-01"],["YMI","3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid","C11 H9 F N2 O2","Cn1nc(cc1C(=O)O)c1ccc(F)cc1;Cn1nc(cc1C(O)=O)c2ccc(F)cc2;Cn1c(cc(n1)c2ccc(cc2)F)C(=O)O","InChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)","","2023-02-09","2024-02-16","3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid","2024-02-21"],["J8W","(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid","C6 H9 N O6","N[CH](COC(=O)CC(O)=O)C(O)=O;C(C(C(=O)O)N)OC(=O)CC(=O)O","InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1","","2019-02-11","2024-09-27","(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid","2020-03-18"],["A1JZU","5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid","C33 H29 N O9","CCOc1ccccc1CN(Cc2cccc(Oc3ccc(C)cc3)c2)C(=O)c4cc(C(O)=O)c(cc4C(O)=O)C(O)=O;CCOc1ccccc1CN(Cc2cccc(c2)Oc3ccc(cc3)C)C(=O)c4cc(c(cc4C(=O)O)C(=O)O)C(=O)O","InChI=1S/C33H29NO9/c1-3-42-29-10-5-4-8-22(29)19-34(18-21-7-6-9-24(15-21)43-23-13-11-20(2)12-14-23)30(35)25-16-27(32(38)39)28(33(40)41)17-26(25)31(36)37/h4-17H,3,18-19H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)","","2026-02-12","2026-02-27","5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid","2026-03-04"],["J8X","(~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile","C19 H17 N3 O2","CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2;CN(CCO)c1ccc(cc1)C=C(C#N)c2nc3ccccc3o2","InChI=1S/C19H17N3O2/c1-22(10-11-23)16-8-6-14(7-9-16)12-15(13-20)19-21-17-4-2-3-5-18(17)24-19/h2-9,12,23H,10-11H2,1H3/b15-12+","","2021-04-26","2021-11-19","(~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile","2021-11-24"],["YMJ","(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C23 H41 N3 O8 S","CC(C)CC(NC(=O)OC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1CC[CH](CC1)OC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CCC(CC1)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,16-,17-,18-,19-,22+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-03-24"],["J8Y","2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide","C14 H9 F3 N6 O2","c1ccc(cc1c2nnnn2)NC(C=3C(=O)NC(=CC=3)C(F)(F)F)=O;FC(F)(F)C1=CC=C(C(=O)Nc2cccc(c2)c3[nH]nnn3)C(=O)N1;c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3","InChI=1S/C14H9F3N6O2/c15-14(16,17)10-5-4-9(13(25)19-10)12(24)18-8-3-1-2-7(6-8)11-20-22-23-21-11/h1-6H,(H,18,24)(H,19,25)(H,20,21,22,23)","","2018-08-23","2019-03-29","2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide","2019-04-03"],["A1L0A","1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C27 H34 F N5 O4","CCC(CC)c1nn(c2ccc(F)cc2)c3nc(cc(C(O)=O)c13)N4CCN(CC4)C(=O)OCC(C)C;CCC(CC)c1c2c(cc(nc2n(n1)c3ccc(cc3)F)N4CCN(CC4)C(=O)OCC(C)C)C(=O)O","InChI=1S/C27H34FN5O4/c1-5-18(6-2)24-23-21(26(34)35)15-22(29-25(23)33(30-24)20-9-7-19(28)8-10-20)31-11-13-32(14-12-31)27(36)37-16-17(3)4/h7-10,15,17-18H,5-6,11-14,16H2,1-4H3,(H,34,35)","","2024-04-06","2025-04-04","1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2025-04-09"],["YMK","(2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol","C13 H15 B F6 N4 O3","Cn1nc(cc1B(OC[CH](O)CO)c2cc(nn2C)C(F)(F)F)C(F)(F)F;B(c1cc(nn1C)C(F)(F)F)(c2cc(nn2C)C(F)(F)F)OCC(CO)O","InChI=1S/C13H15BF6N4O3/c1-23-10(3-8(21-23)12(15,16)17)14(27-6-7(26)5-25)11-4-9(13(18,19)20)22-24(11)2/h3-4,7,25-26H,5-6H2,1-2H3/t7-/m1/s1","","2023-06-19","2024-01-19","(2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol","2024-01-24"],["J8Z","(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate","C19 H18 N O5 P S","[O-]P([O-])(=O)OCC(NC(=O)c2sc1ccccc1c2)Cc3cccc(c3)C;Cc1cccc(C[CH](CO[P]([O-])([O-])=O)NC(=O)c2sc3ccccc3c2)c1;Cc1cccc(c1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2","InChI=1S/C19H20NO5PS/c1-13-5-4-6-14(9-13)10-16(12-25-26(22,23)24)20-19(21)18-11-15-7-2-3-8-17(15)27-18/h2-9,11,16H,10,12H2,1H3,(H,20,21)(H2,22,23,24)/p-2/t16-/m1/s1","","2009-08-07","2011-06-04","(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate",""],["YML","[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID","C11 H23 O5 P","O=C(C(C(O)C(C)CC(C)CO)C)CP(=O)O;C[CH](CO)C[CH](C)[CH](O)[CH](C)C(=O)C[PH](O)=O;CC(CC(C)C(C(C)C(=O)CP(=O)O)O)CO","InChI=1S/C11H23O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14,17H,4-6H2,1-3H3,(H,15,16)/t7-,8+,9+,11+/m1/s1","","2006-06-26","2024-09-27","(R)-[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphinic acid",""],["J90","4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide","C11 H11 N5 O5 S","O=[N+]([O-])C1=C(N=CNC1=O)NCc2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(CNC2=C(C(=O)NC=N2)[N+]([O-])=O)cc1;c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C11H11N5O5S/c12-22(20,21)8-3-1-7(2-4-8)5-13-10-9(16(18)19)11(17)15-6-14-10/h1-4,6H,5H2,(H2,12,20,21)(H2,13,14,15,17)","4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide","2010-04-22","2021-03-13","4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide",""],["YMM","(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C23 H41 N3 O8 S","CC(C)CC(NC(=O)OC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1CC[CH](CC1)OC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CCC(CC1)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,16-,17-,18-,19-,22-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-03-24"],["J91","2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid","C20 H12 F4 N2 O5","C(c2c(Oc1c(cccc1)F)c(ccc2)NC(=O)C3=CC=C(C(F)(F)F)NC3=O)(=O)O;OC(=O)c1cccc(NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c1Oc3ccccc3F;c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F","InChI=1S/C20H12F4N2O5/c21-12-5-1-2-7-14(12)31-16-10(19(29)30)4-3-6-13(16)25-17(27)11-8-9-15(20(22,23)24)26-18(11)28/h1-9H,(H,25,27)(H,26,28)(H,29,30)","","2018-08-23","2019-03-29","2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid","2019-04-03"],["A1L0Q","(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol","C24 H19 Cl2 F5 N6 O4","Cc1nnc([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)n1c5cc(Cl)ccc5C(F)(F)F;Cc1nnc(n1c2cc(ccc2C(F)(F)F)Cl)C3C(C(C(C(O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)Cl)F)O","InChI=1S/C24H19Cl2F5N6O4/c1-9-32-34-23(37(9)16-6-11(25)2-3-12(16)24(29,30)31)22-21(40)19(20(39)17(8-38)41-22)36-7-15(33-35-36)10-4-13(27)18(26)14(28)5-10/h2-7,17,19-22,38-40H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1","","2024-04-18","2025-02-28","(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol","2025-03-05"],["YMN","Iobenguane","C8 H10 I N3","NC(=N)NCc1cccc(I)c1;c1cc(cc(c1)I)CNC(=N)N","InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)","1-[(3-iodanylphenyl)methyl]guanidine","2023-12-06","2024-11-11","1-[(3-iodanylphenyl)methyl]guanidine","2024-06-26"],["A1L0R","5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione","C24 H19 Br Cl F5 N6 O4 S","CN1N=C([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(Br)c(F)c4F)N(C1=S)c5cc(Cl)ccc5C(F)(F)F;CN1C(=S)N(C(=N1)C2C(C(C(C(O2)CO)O)n3cc(nn3)c4ccc(c(c4F)F)Br)O)c5cc(ccc5C(F)(F)F)Cl","InChI=1S/C24H19BrClF5N6O4S/c1-35-23(42)37(14-6-9(26)2-4-11(14)24(29,30)31)22(33-35)21-20(40)18(19(39)15(8-38)41-21)36-7-13(32-34-36)10-3-5-12(25)17(28)16(10)27/h2-7,15,18-21,38-40H,8H2,1H3/t15-,18+,19+,20-,21-/m1/s1","","2024-04-18","2025-02-28","5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione","2025-03-05"],["J92","methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate","C18 H25 Cl N2 O5 S2","COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O;COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N","InChI=1S/C18H25ClN2O5S2/c1-26-17(22)8-5-9-21-18(23)13-10-16(28(20,24)25)14(19)11-15(13)27-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,21,23)(H2,20,24,25)","","2019-02-12","2020-02-21","methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate","2020-02-26"],["YMO","(8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C21 H20 F N5 O","Fc1cc(ccc1CNc1nc2NC(=CC(=O)n2n1)CCC)c1ccccc1;CCCC1=CC(=O)n2nc(NCc3ccc(cc3F)c4ccccc4)nc2N1;CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3F)c4ccccc4)N1","InChI=1S/C21H20FN5O/c1-2-6-17-12-19(28)27-21(24-17)25-20(26-27)23-13-16-10-9-15(11-18(16)22)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H2,23,24,25,26)","","2023-02-09","2024-02-16","(8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["A1L0U","2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid","C9 H11 N3 O4","Cc1nc(C)c(O)c(n1)C(=O)NCC(O)=O;Cc1c(c(nc(n1)C)C(=O)NCC(=O)O)O","InChI=1S/C9H11N3O4/c1-4-8(15)7(12-5(2)11-4)9(16)10-3-6(13)14/h15H,3H2,1-2H3,(H,10,16)(H,13,14)","","2024-04-19","2025-02-21","2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid","2025-02-26"],["J93","4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile","C19 H15 N3 O S2","CN(CCO)c1sc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N;CN(CCO)c1cc2c(s1)cc(s2)C=C(C#N)c3ccc(cc3)C#N","InChI=1S/C19H15N3OS2/c1-22(6-7-23)19-10-18-17(25-19)9-16(24-18)8-15(12-21)14-4-2-13(11-20)3-5-14/h2-5,8-10,23H,6-7H2,1H3/b15-8+","","2021-04-26","2021-11-19","4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile","2021-11-24"],["YMP","O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE","C19 H24 N7 O8 P","O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4;N[CH](Cc1ccc(O)cc1)C(=O)N[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cc(ccc1CC(C(=O)NP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O","InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H2,21,22,23)(H2,25,30,31,32)/t11-,12+,14+,15+,19+/m0/s1","TYROSYL-ADENYLATE ANALOGUE; TYR-AMP ANALOGUE","2006-05-02","2020-05-26","5'-O-[(S)-hydroxy(L-tyrosylamino)phosphoryl]adenosine",""],["YMQ","9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","C19 H24 N2 O6 Ru2","COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[CH](C)O[Ru]24O[CH](C)O5;CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)OC)c5ccc(cc5)OC","InChI=1S/C15H16N2O2.2C2H4O2.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*1-2(3)4;;/h3-10H,11H2,1-2H3;2*2H,1H3;;/q3*-2;2*+3","","2023-06-19","2023-07-14","9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","2023-07-19"],["J94","(5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium","C21 H20 N O6","O=C2OC(c3ccc1OCOc1c23)C5c4cc6OCOc6cc4CC[N+]5(C)C;C[N+]1(C)CCc2cc3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OCOc6ccc45;C[N+]1(CCc2cc3c(cc2C1C4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C","InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18-,19+/m0/s1","","2013-01-15","2013-02-01","(5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium","2013-02-01"],["A1L0V","2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid","C15 H14 F N3 O4","Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O;Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)Cc2ccc(cc2)F","InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)","","2024-04-19","2025-02-21","2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid","2025-02-26"],["J95","~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide","C17 H26 Cl N3 O3 S","CCCCNC(=O)c1cc(c(Cl)cc1NC2CCCCC2)[S](N)(=O)=O;CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N","InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)","","2019-02-12","2020-02-28","~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide","2020-03-04"],["A1L0X","2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid","C21 H19 N3 O4","Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C(=O)NCC(O)=O)c1O;Cc1c(c(nc(n1)Cc2ccc(cc2)c3ccccc3)C(=O)NCC(=O)O)O","InChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26)","","2024-04-19","2025-02-21","2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid","2025-02-26"],["YMR","2-methylcyclohexa-2,5-diene-1,4-dione","C7 H6 O2","CC1=CC(=O)C=CC1=O;CC1=CC(=O)C=CC1=O","InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3","","2023-12-06","2024-08-23","2-methylcyclohexa-2,5-diene-1,4-dione","2024-08-28"],["J96","N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-L-glutamic acid","C59 H99 N7 O24 S","O=C(O)C(NC(=O)NC(C(=O)O)CCCCNC(=O)Cc3ccccc3OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)Cc1ccccc1OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C(O)=O)C(O)=O;c1ccc(c(c1)CC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C59H99N7O24S/c67-51(11-4-3-10-50-55-48(44-91-50)65-59(77)66-55)61-16-19-79-22-24-81-26-28-83-30-32-85-34-36-87-38-40-89-42-41-88-39-37-86-35-33-84-31-29-82-27-25-80-23-21-78-18-14-52(68)62-17-20-90-49-9-2-1-7-45(49)43-53(69)60-15-6-5-8-46(56(72)73)63-58(76)64-47(57(74)75)12-13-54(70)71/h1-2,7,9,46-48,50,55H,3-6,8,10-44H2,(H,60,69)(H,61,67)(H,62,68)(H,70,71)(H,72,73)(H,74,75)(H2,63,64,76)(H2,65,66,77)/t46-,47-,48-,50-,55-/m0/s1","","2013-12-09","2014-06-13","N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-L-glutamic acid","2014-06-18"],["YMS","(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C26 H39 N3 O8 S","CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)O[CH]1CC[CH](CC1)c2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3","InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-03-24"],["YMT","(6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid","C22 H17 Cl N2 O2","O=C(O)c1cc(cc2nn(cc12)Cc1ccccc1)c1ccc(C)cc1Cl;Cc1ccc(c(Cl)c1)c2cc3nn(Cc4ccccc4)cc3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3cn(nc3c2)Cc4ccccc4)C(=O)O","InChI=1S/C22H17ClN2O2/c1-14-7-8-17(20(23)9-14)16-10-18(22(26)27)19-13-25(24-21(19)11-16)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,26,27)","","2023-02-09","2024-02-16","(6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid","2024-02-21"],["J97","3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid","C20 H11 Cl2 F3 N2 O4 S","c3(SC1=C(C(=O)NC(=C1)C(F)(F)F)C(Nc2cccc(c2)C(=O)O)=O)c(Cl)cccc3Cl;OC(=O)c1cccc(NC(=O)C2=C(Sc3c(Cl)cccc3Cl)C=C(NC2=O)C(F)(F)F)c1;c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O","InChI=1S/C20H11Cl2F3N2O4S/c21-11-5-2-6-12(22)16(11)32-13-8-14(20(23,24)25)27-18(29)15(13)17(28)26-10-4-1-3-9(7-10)19(30)31/h1-8H,(H,26,28)(H,27,29)(H,30,31)","","2018-08-23","2019-03-29","3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid","2019-04-03"],["A1L1A","phytanoyl-CoA","C41 H74 N7 O17 P3 S","CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29-,30-,34+,35+,36+,40-/m1/s1","S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate; Phytanoyl-coenzyme A","2024-04-25","2024-09-13","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecanethioate","2024-09-18"],["J98","2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","C29 H33 F3 N8 O2 S2","CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(cc4C(F)(F)F)[S](=O)(=O)N5CCN(C)CC5;CCCN(c1cc(ccc1C)c2ccc(cc2C(F)(F)F)S(=O)(=O)N3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N","InChI=1S/C29H33F3N8O2S2/c1-4-9-40(28-35-23(17-43-28)27-36-25(33)16-26(34)37-27)24-14-19(6-5-18(24)2)21-8-7-20(15-22(21)29(30,31)32)44(41,42)39-12-10-38(3)11-13-39/h5-8,14-17H,4,9-13H2,1-3H3,(H4,33,34,36,37)","","2022-04-25","2023-06-02","2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine","2023-06-07"],["YMU","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine","C18 H19 Cl N4 O3 S","O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1;Clc1ccc2C[CH](Cc2c1)Nc3ncc4CN(Cc4n3)[S](=O)(=O)C5COC5;c1cc2c(cc1Cl)CC(C2)Nc3ncc4c(n3)CN(C4)S(=O)(=O)C5COC5","InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1","","2023-06-19","2024-12-13","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine","2024-12-18"],["YMV","(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C26 H39 N3 O8 S","CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)O[CH]1CC[CH](CC1)c2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3","InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-03-24"],["J99","(10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one","C23 H24 F N5 O2","Fc3ccc2C(=O)N(Cc1n(nc(c1c4cc(OC(c2c3)C)c(nc4)N)C5CC5)C)C;C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)n(C)nc3C5CC5;CC1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F","InChI=1S/C23H24FN5O2/c1-12-17-9-15(24)6-7-16(17)23(30)28(2)11-18-20(21(13-4-5-13)27-29(18)3)14-8-19(31-12)22(25)26-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,25,26)/t12-/m1/s1","","2014-03-13","2014-05-23","(10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one","2014-05-28"],["YMW","7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one","C17 H13 Cl N4 O","CCn1cc2c3ccc(Cl)cc3N(C(=O)c2n1)c4cccnc4;CCn1cc-2c(n1)C(=O)N(c3c2ccc(c3)Cl)c4cccnc4","InChI=1S/C17H13ClN4O/c1-2-21-10-14-13-6-5-11(18)8-15(13)22(17(23)16(14)20-21)12-4-3-7-19-9-12/h3-10H,2H2,1H3","","2023-12-06","2024-06-21","7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one","2024-06-26"],["J9A","N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine","C8 H15 N3 O5","O=C(O)CCC(N)C(=O)NCC(C(=O)O)N;N[CH](CCC(O)=O)C(=O)NC[CH](N)C(O)=O;C(CC(=O)O)C(C(=O)NCC(C(=O)O)N)N","InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1","","2018-08-24","2024-09-27","N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine","2019-08-14"],["J9B","2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine","C13 H11 Cl2 N5","CNc1nc(Cl)nc2n(Cc3cccc(Cl)c3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)Cl","InChI=1S/C13H11Cl2N5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)","","2023-08-07","2023-12-01","2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine","2023-12-06"],["YMX","Entrectinib","C31 H34 F2 N6 O2","c6c4N=NC(=NC(=O)c2ccc(N1CCN(C)CC1)cc2NC3CCOCC3)c4cc(Cc5cc(F)cc(F)c5)c6;CN1CCN(CC1)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC6CCOCC6)c2;CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F","InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)","","2016-08-01","2016-08-05","N-{5-[(3,5-difluorophenyl)methyl]-3H-indazol-3-ylidene}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide","2016-04-06"],["J9C","6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C21 H19 N7 O","Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(C)nn1c1ccccc1;Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc3cc(C)nn3c4ccccc4;Cc1ccc(c(n1)C(=O)Nc2cc(nn2c3ccccc3)C)Nc4cncnc4","InChI=1S/C21H19N7O/c1-14-8-9-18(25-16-11-22-13-23-12-16)20(24-14)21(29)26-19-10-15(2)27-28(19)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,29)","","2022-02-01","2022-10-07","6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["YMY","(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H43 N3 O8 S","CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1CC[CH](CC1)COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CCC(CC1)COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23+/m0/s1","","2021-03-12","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-03-24"],["YMZ","(11R,12S)- Mefloquine","C17 H16 F6 N2 O","O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F;c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O","InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1","","2017-01-30","2024-11-05","(~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol","2017-03-01"],["J9D","4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile","C16 H15 N7 O","c3(nc(Nc1ccc(cc1)C#N)nc(n2cnc(CCO)c2)c3)N;Nc1cc(nc(Nc2ccc(cc2)C#N)n1)n3cnc(CCO)c3;c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N","InChI=1S/C16H15N7O/c17-8-11-1-3-12(4-2-11)20-16-21-14(18)7-15(22-16)23-9-13(5-6-24)19-10-23/h1-4,7,9-10,24H,5-6H2,(H3,18,20,21,22)","","2018-08-24","2018-08-31","4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile","2018-09-05"],["J9E","4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide","C20 H24 F2 N2 O","C(=O)(NC2CCC1(CCCCC1)CC2)c4cc3c(cc(cc3n4)F)F;Fc1cc(F)c2cc([nH]c2c1)C(=O)N[CH]3CC[C]4(CC[CH2]CC4)CC3;c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F","InChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25)","","2018-12-05","2018-12-21","4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide","2018-12-26"],["YN0","tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate","C38 H49 N5 O4","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(ccc3)C(C)(C)C)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c2cc1;Cc1onc(C)c1c2ccc3n([CH]4CC[CH](CC4)NC(=O)OC(C)(C)C)c(nc3c2)[CH]5CCCC(=O)N5c6cccc(c6)C(C)(C)C;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)NC(=O)OC(C)(C)C)C5CCCC(=O)N5c6cccc(c6)C(C)(C)C","InChI=1S/C38H49N5O4/c1-23-34(24(2)47-41-23)25-15-20-31-30(21-25)40-35(43(31)28-18-16-27(17-19-28)39-36(45)46-38(6,7)8)32-13-10-14-33(44)42(32)29-12-9-11-26(22-29)37(3,4)5/h9,11-12,15,20-22,27-28,32H,10,13-14,16-19H2,1-8H3,(H,39,45)/t27-,28+,32-/m0/s1","","2023-02-10","2024-02-02","tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate","2024-02-07"],["J9F","(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C10 H9 N O3 S","OC(=O)[CH]1CSC(=N1)c2ccccc2O;c1ccc(c(c1)C2=NC(CS2)C(=O)O)O","InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1","","2021-04-28","2024-09-27","(4~{S})-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2021-12-22"],["YN1","(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid","C24 H43 N3 O8 S","CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1CC[CH](CC1)COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CCC(CC1)COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23-/m0/s1","","2021-03-12","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-03-24"],["J9G","3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one","C19 H14 F2 N4 O","c4c(Nc1cnc2c(c1)NC(N2Cc3ccccc3)=O)c(cc(c4)F)F;Fc1ccc(Nc2cnc3N(Cc4ccccc4)C(=O)Nc3c2)c(F)c1;c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O","InChI=1S/C19H14F2N4O/c20-13-6-7-16(15(21)8-13)23-14-9-17-18(22-10-14)25(19(26)24-17)11-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,24,26)","","2018-08-24","2019-04-12","3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one","2019-04-17"],["YN2","4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile","C25 H24 N6 O2","N#Cc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1;O=C(C=Cc1ccc(cc1)C#N)N2CC[CH]3CN(C[CH]3CC2)C(=O)c4ccc5[nH]nnc5c4;c1cc(ccc1C=CC(=O)N2CCC3CN(CC3CC2)C(=O)c4ccc5c(c4)nn[nH]5)C#N","InChI=1S/C25H24N6O2/c26-14-18-3-1-17(2-4-18)5-8-24(32)30-11-9-20-15-31(16-21(20)10-12-30)25(33)19-6-7-22-23(13-19)28-29-27-22/h1-8,13,20-21H,9-12,15-16H2,(H,27,28,29)","","2023-06-19","2024-12-13","4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile","2024-12-18"],["YN3","~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide","C28 H35 N7 O3","CCC(=O)Nc1ccc(cc1)C(=O)Nc2n[nH]c3c2CN(C(=O)N[CH](CN(C)C)c4ccccc4)C3(C)C;CCC(=O)Nc1ccc(cc1)C(=O)Nc2c3c([nH]n2)C(N(C3)C(=O)NC(CN(C)C)c4ccccc4)(C)C","InChI=1S/C28H35N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h7-15,22H,6,16-17H2,1-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1","","2023-12-06","2024-09-27","~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide","2024-05-29"],["J9H","pentacoordinate Pt(II) compound","C17 H18 N3 Pt","CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C;Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N","InChI=1S/C14H13N2.C2H2.CH3.H2N.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-2;;;/h3-5,7-8H,6H2,1-2H3;1-2H;1H3;1H2;/q-1;;;-1;+3","","2019-02-12","2019-02-22","","2019-02-27"],["YN4","ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL)","C25 H27 N5 O3 S","CCOC(=O)c1cnc2ccc(OCc3ccc(nc3)N4CCNCC4)cc2c1SCCC#N;CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4","InChI=1S/C25H27N5O3S/c1-2-32-25(31)21-16-28-22-6-5-19(14-20(22)24(21)34-13-3-8-26)33-17-18-4-7-23(29-15-18)30-11-9-27-10-12-30/h4-7,14-16,27H,2-3,9-13,17H2,1H3","","2016-04-06","2017-02-10","ethyl 4-(2-cyanoethylsulfanyl)-6-[(6-piperazin-1-ylpyridin-3-yl)methoxy]quinoline-3-carboxylate","2017-02-15"],["J9I","4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine","C26 H29 N7 S","CN1CCN(CC1)Cc2ccc(cc2)c3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3;Cc1ccc(cc1Nc2nc(cs2)c3nccc(n3)N)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C26H29N7S/c1-18-3-6-21(20-7-4-19(5-8-20)16-33-13-11-32(2)12-14-33)15-22(18)29-26-30-23(17-34-26)25-28-10-9-24(27)31-25/h3-10,15,17H,11-14,16H2,1-2H3,(H,29,30)(H2,27,28,31)","","2022-04-25","2023-06-02","4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine","2023-06-07"],["YN5","(6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","C32 H36 N4 O5","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccc4OCCOc4c3)n(C3CCC(OC)CC3)c2cc1;CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccc7OCCOc7c6;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6ccc7c(c6)OCCO7","InChI=1S/C32H36N4O5/c1-19-31(20(2)41-34-19)21-7-13-26-25(17-21)33-32(36(26)22-8-11-24(38-3)12-9-22)27-5-4-6-30(37)35(27)23-10-14-28-29(18-23)40-16-15-39-28/h7,10,13-14,17-18,22,24,27H,4-6,8-9,11-12,15-16H2,1-3H3/t22-,24+,27-/m0/s1","","2023-02-10","2024-02-02","(6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","2024-02-07"],["J9K","tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate","C23 H31 N3 O3 S","O=C(OC(C)(C)C)NC(Cc1ccccc1)CSCCC(=O)NCc2cccnc2;CC(C)(C)OC(=O)N[CH](CSCCC(=O)NCc1cccnc1)Cc2ccccc2;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCCC(=O)NCc2cccnc2","InChI=1S/C23H31N3O3S/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19/h4-10,12,15,20H,11,13-14,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1","","2014-11-21","2015-09-18","tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate","2015-09-23"],["YN6","(2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide","C12 H12 N4 O3 S","NC(=O)C1CCN1C(=O)COc1cccc2nsnc12;NC(=O)[CH]1CCN1C(=O)COc2cccc3nsnc23;c1cc2c(c(c1)OCC(=O)N3CCC3C(=O)N)nsn2","InChI=1S/C12H12N4O3S/c13-12(18)8-4-5-16(8)10(17)6-19-9-3-1-2-7-11(9)15-20-14-7/h1-3,8H,4-6H2,(H2,13,18)","","2023-06-19","2024-12-13","(2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide","2024-12-18"],["J9L","(5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one","C15 H17 N3 O2","CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(C)c23;Cc1cccc2c1c(c[nH]2)C(C)C3C(=O)N=C(O3)NC","InChI=1S/C15H17N3O2/c1-8-5-4-6-11-12(8)10(7-17-11)9(2)13-14(19)18-15(16-3)20-13/h4-7,9,13,17H,1-3H3,(H,16,18,19)/t9-,13+/m1/s1","","2021-04-28","2022-02-11","(5~{S})-2-(methylamino)-5-[(1~{R})-1-(4-methyl-1~{H}-indol-3-yl)ethyl]-1,3-oxazol-4-one","2022-02-16"],["YN7","5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide","C29 H28 Cl F3 N8 O4","CN1CC(C)N(CC1)c1nc(F)c(Cl)c(NC(=O)Cn2cc(c3cc(C(N)=O)c(O)c(F)c3F)c3C(=O)N4CCCC4=Nc32)c1;C[CH]1CN(C)CCN1c2cc(NC(=O)Cn3cc(c4cc(C(N)=O)c(O)c(F)c4F)c5C(=O)N6CCCC6=Nc35)c(Cl)c(F)n2;CC1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C","InChI=1S/C29H28ClF3N8O4/c1-13-10-38(2)6-7-40(13)19-9-17(22(30)26(33)36-19)35-20(42)12-39-11-16(14-8-15(27(34)44)25(43)24(32)23(14)31)21-28(39)37-18-4-3-5-41(18)29(21)45/h8-9,11,13,43H,3-7,10,12H2,1-2H3,(H2,34,44)(H,35,36,42)/t13-/m0/s1","","2021-03-12","2022-03-04","5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide","2022-03-09"],["J9N","3-thiophen-2-yl-1H-pyrazol-5-amine","C7 H7 N3 S","Nc1[nH]nc(c1)c2sccc2;c1cc(sc1)c2cc([nH]n2)N","InChI=1S/C7H7N3S/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-3H,4H2,(H2,8,10)","5-amino-3-(2-thienyl)-pyrazole","2019-02-12","2022-05-16","3-thiophen-2-yl-1~{H}-pyrazol-5-amine","2020-03-04"],["J9O","2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one","C30 H31 Cl N4 O4","CCOc1ccccc1N2C(=O)c3ccccc3N=C2[CH](C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5;CCOc1ccccc1N2C(=O)c3ccccc3N=C2C(C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl","InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3/t21-/m0/s1","","2021-04-30","2022-04-01","2-[(1~{S})-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one","2022-04-06"],["YN8","7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one","C19 H14 Cl F N4 O","Cn1cc2c3cc(F)c(Cl)cc3N(C(=O)c2n1)c4cccnc4C5CC5;Cn1cc-2c(n1)C(=O)N(c3c2cc(c(c3)Cl)F)c4cccnc4C5CC5","InChI=1S/C19H14ClFN4O/c1-24-9-12-11-7-14(21)13(20)8-16(11)25(19(26)18(12)23-24)15-3-2-6-22-17(15)10-4-5-10/h2-3,6-10H,4-5H2,1H3","","2023-12-06","2024-06-21","7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one","2024-06-26"],["J9P","(11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid","C21 H36 O5","CCCCC(CC=CC1C(C(CC1O)=O)CCCCCCC(O)=O)(C)O;CCCC[C](C)(O)CC=C[CH]1[CH](O)CC(=O)[CH]1CCCCCCC(O)=O;CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O","InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21+/m1/s1","","2018-08-27","2018-11-30","(11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid","2018-12-05"],["YN9","3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid","C23 H21 F O3","Cc1ccc(cc1)c1ccc(F)cc1COc1ccc(cc1)CCC(=O)O;Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(O)=O)cc3;Cc1ccc(cc1)c2ccc(cc2COc3ccc(cc3)CCC(=O)O)F","InChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)","","2023-02-13","2023-03-03","3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid","2023-03-08"],["YNA","N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","C21 H15 Cl N6 O3","Clc1cnccc1NC(=O)Cn1cc(c2c1N=CN(C)C2=O)c1ccc(O)c(C#N)c1;CN1C=Nc2n(CC(=O)Nc3ccncc3Cl)cc(c4ccc(O)c(c4)C#N)c2C1=O;CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O","InChI=1S/C21H15ClN6O3/c1-27-11-25-20-19(21(27)31)14(12-2-3-17(29)13(6-12)7-23)9-28(20)10-18(30)26-16-4-5-24-8-15(16)22/h2-6,8-9,11,29H,10H2,1H3,(H,24,26,30)","","2021-03-12","2022-03-11","N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","2022-03-09"],["J9Q","2-(1,3-oxazol-5-yl)aniline","C9 H8 N2 O","Nc1ccccc1c2ocnc2;c1ccc(c(c1)c2cnco2)N","InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2","","2019-02-12","2020-02-28","2-(1,3-oxazol-5-yl)aniline","2020-03-04"],["YNB","[2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate","C22 H22 F3 N7 O4","FC(F)(F)Oc1ccc(COC(=O)N2Cc3cc(nn3CC2)C(=O)N2CCc3[NH]nnc3C2)c(C)c1;Cc1cc(OC(F)(F)F)ccc1COC(=O)N2CCn3nc(cc3C2)C(=O)N4CCc5[nH]nnc5C4;Cc1cc(ccc1COC(=O)N2CCn3c(cc(n3)C(=O)N4CCc5c(nn[nH]5)C4)C2)OC(F)(F)F","InChI=1S/C22H22F3N7O4/c1-13-8-16(36-22(23,24)25)3-2-14(13)12-35-21(34)31-6-7-32-15(10-31)9-18(28-32)20(33)30-5-4-17-19(11-30)27-29-26-17/h2-3,8-9H,4-7,10-12H2,1H3,(H,26,27,29)","","2023-06-19","2024-12-13","[2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate","2024-12-18"],["GEW","3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide","C32 H28 F2 N6 O3","COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3n(C)c(N=Nc4ccc(F)cc4)nc3c5ccc(F)cc5)c1;Cn1c(c(nc1N=Nc2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC","InChI=1S/C32H28F2N6O3/c1-40-31(30(20-4-7-23(33)8-5-20)37-32(40)39-38-25-11-9-24(34)10-12-25)22-16-17-35-28(19-22)36-29(41)15-6-21-18-26(42-2)13-14-27(21)43-3/h4-5,7-14,16-19H,6,15H2,1-3H3,(H,35,36,41)/b39-38+","","2018-09-13","2019-04-12","3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide","2019-04-17"],["GEX","1-(2-methylsulfanylphenyl)piperazine","C11 H16 N2 S","CSc1ccccc1N2CCNCC2;CSc1ccccc1N2CCNCC2","InChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3","","2020-08-26","2021-04-23","1-(2-methylsulfanylphenyl)piperazine","2021-04-28"],["YNC","TETRADEC-13-YNOIC ACID - COA THIOESTER","C35 H58 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCC#C;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O","InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h1,22-24,28-30,34,45-46H,5-21H2,2-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1","","2012-10-13","2014-09-05","S-{(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradec-13-ynethioate (non-preferred name)","2014-01-15"],["GEY","(2Z)-dodec-2-enoic acid","C12 H22 O2","C(C=C/CCCCCCCCC)(O)=O;CCCCCCCCCC=CC(O)=O;CCCCCCCCCC=CC(=O)O","InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10-","","2018-05-18","2018-12-28","(2Z)-dodec-2-enoic acid","2019-01-02"],["YND","N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","C14 H12 Cl N5 O2","Clc1cnccc1NC(=O)Cn1ccc2c1N=CN(C)C2=O;CN1C=Nc2n(CC(=O)Nc3ccncc3Cl)ccc2C1=O;CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O","InChI=1S/C14H12ClN5O2/c1-19-8-17-13-9(14(19)22)3-5-20(13)7-12(21)18-11-2-4-16-6-10(11)15/h2-6,8H,7H2,1H3,(H,16,18,21)","","2021-03-12","2022-03-04","N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","2022-03-09"],["YNE","2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole","C22 H25 N5 O2 S","n1n(c(c(c1C)Cc2nnc(o2)c5sc3ccccc3c5OC4CCNCC4)C)C;Cn1nc(C)c(Cc2oc(nn2)c3sc4ccccc4c3OC5CCNCC5)c1C;Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5","InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3","","2012-10-13","2014-09-05","4-[(2-{5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine","2014-01-15"],["GEZ","6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine","C19 H24 N4 O3 S","COc1cc2nccc(Nc3[nH]nc(C)c3C)c2cc1[S](=O)(=O)C(C)(C)C;Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C","InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)","","2018-09-13","2018-11-02","6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine","2018-11-07"],["YNF","~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide","C17 H25 Cl N2 O3 S2","CCCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O;CCCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N","InChI=1S/C17H25ClN2O3S2/c1-2-3-9-20-17(21)13-10-16(25(19,22)23)14(18)11-15(13)24-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,20,21)(H2,19,22,23)","","2023-12-06","2024-10-11","~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide","2024-10-16"],["GF0","2'-deoxy-2'-fluoroguanosine","C10 H12 F N5 O4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3F;c1nc2c(n1C3C(C(C(O3)CO)O)F)N=C(NC2=O)N","InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1","","2016-11-14","2017-04-14","2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one","2017-04-19"],["GF1","(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid","C12 H15 N O4","O=C(O)C(N2C(=O)C3C1CCC(C1)C3C2=O)C;C[CH](N1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O)C(O)=O;CC(C(=O)O)N1C(=O)C2C3CCC(C3)C2C1=O","InChI=1S/C12H15NO4/c1-5(12(16)17)13-10(14)8-6-2-3-7(4-6)9(8)11(13)15/h5-9H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,8-,9+/m0/s1","","2009-02-11","2011-06-04","(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid",""],["YNG","7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide","C42 H38 N12 O8","NC=1N=CN(CC2CN(c3cc(O)c4[NH]cc(C)c4c32)C(=O)c2cc3c([NH]2)c(OC)c(O)c2c3CCN2C(=O)c2[NH]c3c(OC)c(O)c4c(CCN4C(N)=O)c3c2)C2=NC=NC2=1;COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c6cc([nH]c6c(OC)c(O)c45)C(=O)N7C[CH](Cn8cnc(N)c9ncnc89)c%10c7cc(O)c%11[nH]cc(C)c%10%11)C(N)=O;Cc1c[nH]c2c1c3c(cc2O)N(CC3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N","InChI=1S/C42H38N12O8/c1-16-11-45-30-25(55)10-24-27(26(16)30)17(12-51-15-48-38(43)31-39(51)47-14-46-31)13-54(24)41(59)23-9-20-18-4-6-52(32(18)34(56)36(61-2)28(20)50-23)40(58)22-8-21-19-5-7-53(42(44)60)33(19)35(57)37(62-3)29(21)49-22/h8-11,14-15,17,45,49-50,55-57H,4-7,12-13,43H2,1-3H3,(H2,44,60)/t17-/m1/s1","","2021-03-14","2021-11-12","7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide","2021-11-17"],["GF2","2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)","C10 H13 F N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(F)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)F)N=C(NC2=O)N","InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1","","2010-04-20","2011-06-04","2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)",""],["YNH","methyl 3-[2-(2,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate","C24 H31 N3 O4","CCN1CCN(CC1)c2ccc(cc2NC(=O)COc3ccc(C)cc3C)C(=O)OC;CCN1CCN(CC1)c2ccc(cc2NC(=O)COc3ccc(cc3C)C)C(=O)OC","InChI=1S/C24H31N3O4/c1-5-26-10-12-27(13-11-26)21-8-7-19(24(29)30-4)15-20(21)25-23(28)16-31-22-9-6-17(2)14-18(22)3/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,25,28)","","2023-12-06","2025-02-07","methyl 3-[2-(2,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate","2025-02-12"],["YNI","5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile","C21 H22 Cl N5 O2","Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)c1cc(OC)ncn1;COc1cc(ncn1)c2cnc(COc3cc(Cl)c(cc3C(C)(C)C)C#N)n2C;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)c3cc(ncn3)OC)Cl)C#N","InChI=1S/C21H22ClN5O2/c1-21(2,3)14-6-13(9-23)15(22)7-18(14)29-11-19-24-10-17(27(19)4)16-8-20(28-5)26-12-25-16/h6-8,10,12H,11H2,1-5H3","","2023-06-19","2024-12-13","5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile","2024-12-18"],["GF3","spiro[1H-2-benzofuran-3,4'-piperidine]","C12 H15 N O","C1CC2(CCN1)OCc3ccccc23;c1ccc2c(c1)COC23CCNCC3","InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2","","2020-08-26","2021-03-26","spiro[1~{H}-2-benzofuran-3,4'-piperidine]","2021-03-31"],["GF4","4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one","C7 H10 N6 O","O=C2C(=C(NN2c1nnnn1)C)CC;CCC1=C(C)NN(C1=O)c2[nH]nnn2;CCC1=C(NN(C1=O)c2[nH]nnn2)C","InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h10H,3H2,1-2H3,(H,8,9,11,12)","","2009-02-05","2011-06-04","4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one",""],["YNJ","7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid","C25 H34 Cl2 O4","O=C(O)CCCCCCOc1cc2CC(CCCC)(C(=O)c2c(Cl)c1Cl)C1CCCC1;CCCC[C]1(Cc2cc(OCCCCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3;CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3","InChI=1S/C25H34Cl2O4/c1-2-3-13-25(18-10-7-8-11-18)16-17-15-19(22(26)23(27)21(17)24(25)30)31-14-9-5-4-6-12-20(28)29/h15,18H,2-14,16H2,1H3,(H,28,29)/t25-/m0/s1","","2021-03-15","2021-03-19","7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid","2021-03-24"],["GF5","(2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","C12 H20 F N3 O8 S2","N[CH](CCC(=O)N[CH](CSCC[S](F)(=O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSCCS(=O)(=O)F)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C12H20FN3O8S2/c13-26(23,24)4-3-25-6-8(11(20)15-5-10(18)19)16-9(17)2-1-7(14)12(21)22/h7-8H,1-6,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1","","2017-08-01","2017-09-08","(2~{S})-2-azanyl-5-[[(2~{R})-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","2017-09-13"],["YNK","7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile","C23 H26 F3 N6 O P","CC1(C)CC[CH](CN1)Nc2ncc(c(n2)c3c[nH]c4c3ccc(C#N)c4[P](C)(C)=O)C(F)(F)F;CC1(CCC(CN1)Nc2ncc(c(n2)c3c[nH]c4c3ccc(c4P(=O)(C)C)C#N)C(F)(F)F)C","InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1","","2023-12-07","2024-05-24","7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile","2024-05-29"],["YNL","(5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one","C17 H15 Cl F N3 O","Fc1ccccc1C1=NCC(=O)N(CCN)c2ccc(Cl)cc21;NCCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13;c1ccc(c(c1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CCN)F","InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2","","2023-02-13","2023-09-15","(5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one","2023-09-20"],["GF6","1-[3-(trifluoromethyl)phenyl]urea","C8 H7 F3 N2 O","NC(=O)Nc1cccc(c1)C(F)(F)F;c1cc(cc(c1)NC(=O)N)C(F)(F)F","InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)","","2020-08-26","2022-02-18","1-[3-(trifluoromethyl)phenyl]urea","2022-02-23"],["YNM","N-METHYL-L-TYROSINE","C10 H13 N O3","O=C(O)C(NC)Cc1ccc(O)cc1;CN[CH](Cc1ccc(O)cc1)C(O)=O;CNC(Cc1ccc(cc1)O)C(=O)O","InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1","","2009-09-03","2025-12-15","N-methyl-L-tyrosine",""],["GF7","(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid","C13 H13 N O4","O=C(c1ccc(cc1)N2C(=O)CC(C(=O)O)C2)C;CC(=O)c1ccc(cc1)N2C[CH](CC2=O)C(O)=O;CC(=O)c1ccc(cc1)N2CC(CC2=O)C(=O)O","InChI=1S/C13H13NO4/c1-8(15)9-2-4-11(5-3-9)14-7-10(13(17)18)6-12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-/m0/s1","","2009-03-27","2011-06-04","(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid",""],["GF8","2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide","C10 H11 Cl2 N O S","SCCNC(=O)Cc1ccc(Cl)c(Cl)c1;c1cc(c(cc1CC(=O)NCCS)Cl)Cl","InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14)","","2018-09-14","2024-09-27","2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide","2019-02-27"],["YNN","7-[(2R)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid","C27 H30 O9","CC(=O)c1ccc(OCC(O)COc2ccc3c(OC(=CC3=O)C(=O)O)c2CCC)c(CCC)c1O;CCCc1c(O)c(ccc1OC[CH](O)COc2ccc3C(=O)C=C(Oc3c2CCC)C(O)=O)C(C)=O;CCCc1c(ccc(c1O)C(=O)C)OCC(COc2ccc3c(c2CCC)OC(=CC3=O)C(=O)O)O","InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)","","2023-06-19","2024-12-13","7-[(2R)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid","2024-12-18"],["GF9","2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","C15 H16 Cl N5 O","CCCC1=Nc2nc(CNc3ccc(Cl)cc3)nn2C(=O)C1;CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl","InChI=1S/C15H16ClN5O/c1-2-3-12-8-14(22)21-15(18-12)19-13(20-21)9-17-11-6-4-10(16)5-7-11/h4-7,17H,2-3,8-9H2,1H3","","2020-08-26","2021-08-13","2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","2021-08-18"],["YNO","5-bromanyl-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-chloranyl-1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-oxan-2-yl]sulfanyl-pyridine-2-carbonitrile","C18 H16 Br Cl N6 O4 S2","CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3scc(Cl)n3)Sc4cc(Br)cnc4C#N;COC1C(C(C(OC1Sc2cc(cnc2C#N)Br)CO)O)n3cc(nn3)c4nc(cs4)Cl","InChI=1S/C18H16BrClN6O4S2/c1-29-16-14(26-5-10(24-25-26)17-23-13(20)7-31-17)15(28)11(6-27)30-18(16)32-12-2-8(19)4-22-9(12)3-21/h2,4-5,7,11,14-16,18,27-28H,6H2,1H3/t11-,14+,15+,16-,18-/m1/s1","","2023-12-07","2024-12-13","5-bromanyl-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-chloranyl-1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-oxan-2-yl]sulfanyl-pyridine-2-carbonitrile","2024-12-18"],["YNP","Cryptophycin 1","C35 H43 Cl N2 O8","COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1;COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CC(C)C)OC(=O)[CH](C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl;CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC","InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1","(3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone","2021-03-15","2021-09-03","(3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone","2021-09-08"],["GFA","2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide","C21 H16 Cl N O3","Clc2cc(c(OCC(=O)Nc1ccccc1)cc2)C(=O)c3ccccc3;Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl","InChI=1S/C21H16ClNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24)","","2008-07-01","2011-06-04","2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide",""],["YNQ","(2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide","C21 H16 F3 N7 O2","NC(=O)c1cccc2[NH]c(nc12)c1cccc(c1)C(=O)N1Cc2nnc(n2CC1)C(F)(F)F;NC(=O)c1cccc2[nH]c(nc12)c3cccc(c3)C(=O)N4CCn5c(C4)nnc5C(F)(F)F;c1cc(cc(c1)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c4[nH]c5cccc(c5n4)C(=O)N","InChI=1S/C21H16F3N7O2/c22-21(23,24)20-29-28-15-10-30(7-8-31(15)20)19(33)12-4-1-3-11(9-12)18-26-14-6-2-5-13(17(25)32)16(14)27-18/h1-6,9H,7-8,10H2,(H2,25,32)(H,26,27)","","2023-02-13","2024-02-02","(2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide","2024-02-07"],["GFB","GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE","C16 H25 N5 O15 P2","O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)N;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O","InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1","","2011-08-17","2014-09-05","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["YNR","5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile","C22 H23 Cl N4 O3","CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc(n1C)c1cc(on1)C1COC1;Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1c3cc(on3)C4COC4;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)c3cc(on3)C4COC4)Cl)C#N","InChI=1S/C22H23ClN4O3/c1-22(2,3)15-5-13(8-24)16(23)6-20(15)29-12-21-25-9-18(27(21)4)17-7-19(30-26-17)14-10-28-11-14/h5-7,9,14H,10-12H2,1-4H3","","2023-06-19","2024-12-13","5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile","2024-12-18"],["GFC","5'-O-[(S)-{[(S)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine","C11 H16 Cl F N5 O12 P3","O=P(O)(O)C(Cl)(F)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[C](F)(Cl)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N","InChI=1S/C11H16ClFN5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-2-5-4(19)1-6(29-5)18-3-15-7-8(18)16-10(14)17-9(7)20/h3-6,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+,11+/m0/s1","","2009-09-14","2011-06-04","5'-O-[(S)-{[(S)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine",""],["YNS","4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide","C22 H28 N8","Cc1cc(cc(C)c1)Nc1cccc(n1)c1c(C)nnn1C1CCN(CC1)C(=N)N;Cc1cc(C)cc(Nc2cccc(n2)c3n(nnc3C)C4CCN(CC4)C(N)=N)c1;Cc1cc(cc(c1)Nc2cccc(n2)c3c(nnn3C4CCN(CC4)C(=N)N)C)C","InChI=1S/C22H28N8/c1-14-11-15(2)13-17(12-14)25-20-6-4-5-19(26-20)21-16(3)27-28-30(21)18-7-9-29(10-8-18)22(23)24/h4-6,11-13,18H,7-10H2,1-3H3,(H3,23,24)(H,25,26)","","2021-03-15","2021-09-24","4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide","2021-09-29"],["GFD","2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide","C27 H27 N5 O7 S2","COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(N)cc3)c4ccccc24;COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C27H27N5O7S2/c1-39-19-8-12-21(13-9-19)41(37,38)32(17-27(30)34)25-15-14-24(22-4-2-3-5-23(22)25)31(16-26(29)33)40(35,36)20-10-6-18(28)7-11-20/h2-15H,16-17,28H2,1H3,(H2,29,33)(H2,30,34)","","2022-05-06","2022-07-01","2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide","2022-07-06"],["GFE","1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine","C11 H13 Cl2 N5","CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2;CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C","InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)","","2018-09-17","2019-05-03","1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine","2019-05-08"],["YNT","Radafaxine","C13 H18 Cl N O2","C[CH]1NC(C)(C)CO[C]1(O)c2cccc(Cl)c2;CC1C(OCC(N1)(C)C)(c2cccc(c2)Cl)O","InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1","(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol","2023-12-07","2024-11-11","(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol","2024-07-10"],["GFF","2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE","C11 H16 F2 N5 O12 P3","FC(F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H16F2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-2-5-4(19)1-6(29-5)18-3-15-7-8(18)16-10(14)17-9(7)20/h3-6,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+/m0/s1","","2006-10-25","2011-06-04","2'-deoxy-5'-O-[(R)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["YNU","eplerenone","C24 H30 O6","COC(=O)[CH]1CC2=CC(=O)CC[C]2(C)[C]34O[CH]3C[C]5(C)[CH](CC[C]56CCC(=O)O6)[CH]14;CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC","InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1","","2017-01-20","2018-03-02","","2018-03-07"],["YNV","17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one","C42 H60 O4","O=C1CCC2(C)C3CCC4(C)C(O)CCC4C3C(CC2=C1)CC=C/CC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC3O)C21;C[C]12CC[CH]3[CH]([CH](CC=CC[CH]4CC5=CC(=O)CC[C]5(C)[CH]6CC[C]7(C)[CH](O)CC[CH]7[CH]46)CC8=CC(=O)CC[C]38C)[CH]1CC[CH]2O;CC12CCC3C(C1CCC2O)C(CC4=CC(=O)CCC34C)CC=CCC5CC6=CC(=O)CCC6(C7C5C8CCC(C8(CC7)C)O)C","InChI=1S/C42H60O4/c1-39-17-13-29(43)23-27(39)21-25(37-31-9-11-35(45)41(31,3)19-15-33(37)39)7-5-6-8-26-22-28-24-30(44)14-18-40(28,2)34-16-20-42(4)32(38(26)34)10-12-36(42)46/h5-6,23-26,31-38,45-46H,7-22H2,1-4H3/b6-5-/t25-,26-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1","","2021-03-15","2021-04-23","17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one","2021-04-28"],["GFH","2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE","C11 H17 F N5 O12 P3","FC(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H17FN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10+/m0/s1","","2007-06-01","2011-06-04","2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["YNW","(6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid","C22 H18 Cl N3 O2","O=C(O)c1cc(cc2[NH]c(nc12)NCc1ccccc1)c1ccc(C)cc1Cl;Cc1ccc(c(Cl)c1)c2cc3[nH]c(NCc4ccccc4)nc3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)[nH]c(n3)NCc4ccccc4)C(=O)O","InChI=1S/C22H18ClN3O2/c1-13-7-8-16(18(23)9-13)15-10-17(21(27)28)20-19(11-15)25-22(26-20)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,27,28)(H2,24,25,26)","","2023-02-13","2024-02-16","(6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid","2024-02-21"],["GFI","N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide","C19 H19 F3 N4 O4","CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(on1)C(F)(F)F;CN(C)C(=O)c1cc(CCCOc2ccc(cc2C)c3noc(n3)C(F)(F)F)on1;Cc1cc(ccc1OCCCc2cc(no2)C(=O)N(C)C)c3nc(on3)C(F)(F)F","InChI=1S/C19H19F3N4O4/c1-11-9-12(16-23-18(30-25-16)19(20,21)22)6-7-15(11)28-8-4-5-13-10-14(24-29-13)17(27)26(2)3/h6-7,9-10H,4-5,8H2,1-3H3","","2021-12-21","2023-01-20","N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide","2023-01-25"],["GFJ","4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine","C24 H15 F3 N8","n3c5c(n(c1c2c(ncc1)c(ccc2F)F)c3C)cc(c4c(c(N)ncc4)F)cc5c6nncn6;Cc1nc2c(cc(cc2c3[nH]cnn3)c4ccnc(N)c4F)n1c5ccnc6c(F)ccc(F)c56;Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6","InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)","","2018-05-21","2018-07-27","4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine","2018-08-01"],["YNX","(2E)-1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","C23 H20 F3 N5 O3","FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(C=CC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1;c1cc(ccc1C=CC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F","InChI=1S/C23H20F3N5O3/c24-23(25,26)34-18-5-1-14(2-6-18)3-8-21(32)30-10-16-12-31(13-17(16)11-30)22(33)15-4-7-19-20(9-15)28-29-27-19/h1-9,16-17H,10-13H2,(H,27,28,29)","","2023-06-19","2024-12-13","(2E)-1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","2024-12-18"],["GFK","4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one","C19 H19 F3 N4 O3 S","COc1ccc2nc(sc2c1)c3noc(n3)C4CCN(CC4)C(=O)CCC(F)(F)F;COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F","InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3","","2018-09-17","2018-12-21","4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one","2018-12-26"],["YNY","methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","C30 H28 N8 O7","COc1cc2cc([NH]c2c(OC)c1OC)C(=O)N1CC(CN2C=NC(N)=C3N=CN=C32)c2c1cc(O)c1[NH]c(cc12)C(=O)OC;COC(=O)c1[nH]c2c(O)cc3N(C[CH](Cn4cnc(N)c5ncnc45)c3c2c1)C(=O)c6[nH]c7c(c6)cc(OC)c(OC)c7OC;COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3CC(c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N","InChI=1S/C30H28N8O7/c1-42-20-6-13-5-16(35-22(13)26(44-3)25(20)43-2)29(40)38-10-14(9-37-12-34-27(31)24-28(37)33-11-32-24)21-15-7-17(30(41)45-4)36-23(15)19(39)8-18(21)38/h5-8,11-12,14,35-36,39H,9-10,31H2,1-4H3/t14-/m1/s1","","2021-03-15","2021-11-12","methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","2021-11-17"],["GFL","2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE","C10 H13 F N5 O7 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)F)N=C(NC2=O)N","InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1","2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","2006-09-07","2021-03-01","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["YNZ","(2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide","C17 H23 N5 O2 S2","CC(C)(C)c1nc(cs1)c1sc(NC(=O)N2CCCC2C(N)=O)nc1C;Cc1nc(NC(=O)N2CCC[CH]2C(N)=O)sc1c3csc(n3)C(C)(C)C;Cc1c(sc(n1)NC(=O)N2CCCC2C(=O)N)c3csc(n3)C(C)(C)C","InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1","","2023-12-07","2024-03-15","(2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide","2024-03-20"],["YO0","1-[7-[1,5-dimethyl-3-(phenoxymethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indol-2-yl]-2,2-bis(oxidanyl)ethanone","C35 H33 N3 O5","Cn1nc(COc2ccccc2)c(c1C)c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(=O)C(O)O;Cc1c(c(nn1C)COc2ccccc2)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)C(O)O","InChI=1S/C35H33N3O5/c1-22-31(29(37-38(22)2)21-43-24-13-4-3-5-14-24)28-17-9-16-26-27(33(36-32(26)28)34(39)35(40)41)18-10-20-42-30-19-8-12-23-11-6-7-15-25(23)30/h3-9,11-17,19,35-36,40-41H,10,18,20-21H2,1-2H3","","2023-12-07","2025-05-16","1-[7-[1,5-dimethyl-3-(phenoxymethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indol-2-yl]-2,2-bis(oxidanyl)ethanone","2025-05-21"],["GFM","2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine","C12 H19 F N5 O12 P3","O=P(O)(O)C(F)(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;C[C](F)([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N;CC(F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O","InChI=1S/C12H19FN5O12P3/c1-12(13,31(21,22)23)32(24,25)30-33(26,27)28-3-6-5(19)2-7(29-6)18-4-15-8-9(18)16-11(14)17-10(8)20/h4-7,19H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t5-,6+,7+,12+/m0/s1","","2009-09-14","2011-06-04","2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["GFN","1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C19 H22 F N3 O4","CC4CN(c2c(F)cc1C(C(=CN(c1c2OC)C3CC3)C(O)=O)=O)CCN4;COc1c(N2CCN[CH](C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(O)=O;CC1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F","InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m0/s1","Gatifloxacin","2015-06-04","2020-06-17","1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2016-03-02"],["YO1","4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide","C24 H20 N10 O4 S4","O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1;Nc1cc(N)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3sccn3)N=Nc4ccc(cc4)[S](=O)(=O)Nc5sccn5;c1cc(ccc1N=Nc2cc(c(cc2N)N)N=Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)S(=O)(=O)Nc5nccs5","InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+","NSC86314; NSC-86314","2021-03-15","2021-04-16","4,4'-{(4,6-diamino-1,3-phenylene)bis[(E)-diazene-2,1-diyl]}bis[N-(1,3-thiazol-2-yl)benzene-1-sulfonamide]","2021-04-21"],["GFO","2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","C25 H24 N6 O","CC(C)(C)c1ccc(cc1)c2nn3C(=O)CC(=Nc3n2)CNc4ccc5ccccc5n4;CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4","InChI=1S/C25H24N6O/c1-25(2,3)18-11-8-17(9-12-18)23-29-24-27-19(14-22(32)31(24)30-23)15-26-21-13-10-16-6-4-5-7-20(16)28-21/h4-13H,14-15H2,1-3H3,(H,26,28)","","2020-08-26","2021-08-13","2-(4-~{tert}-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","2021-08-18"],["YO2","[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{1-ethyl-4-[(propan-2-yl)oxy]-1H-indol-6-yl}methanone","C29 H32 N6 O3","CC(C)Oc1cc(cc2n(CC)ccc21)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;CCn1ccc2c(OC(C)C)cc(cc12)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;CCn1ccc2c1cc(cc2OC(C)C)C(=O)N3CC4C5CN(CC5C4C3)C(=O)c6ccc7c(c6)nn[nH]7","InChI=1S/C29H32N6O3/c1-4-33-8-7-19-26(33)10-18(11-27(19)38-16(2)3)29(37)35-14-22-20-12-34(13-21(20)23(22)15-35)28(36)17-5-6-24-25(9-17)31-32-30-24/h5-11,16,20-23H,4,12-15H2,1-3H3,(H,30,31,32)","","2023-06-19","2024-12-13","[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{1-ethyl-4-[(propan-2-yl)oxy]-1H-indol-6-yl}methanone","2024-12-18"],["YO3","YO3-biotin","C21 H19 N2 O","CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C;CN1C=CC(=CC=Cc2oc3ccccc3[n+]2C)c4ccccc14;C[n+]1c2ccccc2oc1C=CC=C3C=CN(c4c3cccc4)C","InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1","3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium","2019-10-17","2020-10-16","3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium","2020-10-21"],["GFP","2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose","C6 H12 F O8 P","O=P(OC1OC(C(O)C(O)C1F)CO)(O)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)F)O)O)O","InChI=1S/C6H12FO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1","2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-PHOSPHATE; 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucose;\n2-deoxy-2-fluoro-1-O-phosphono-D-glucose; 2-deoxy-2-fluoro-1-O-phosphono-glucose","1999-07-08","2020-07-17","2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose",""],["YO4","2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid","C27 H32 N2 O4","O=C(O)c1ccccc1NC(C)c1cc(C)cc2c1OC(=C(C)C2=O)N1CCC(C)(C)CC1;C[CH](Nc1ccccc1C(O)=O)c2cc(C)cc3C(=O)C(=C(Oc23)N4CCC(C)(C)CC4)C;Cc1cc2c(c(c1)C(C)Nc3ccccc3C(=O)O)OC(=C(C2=O)C)N4CCC(CC4)(C)C","InChI=1S/C27H32N2O4/c1-16-14-20(18(3)28-22-9-7-6-8-19(22)26(31)32)24-21(15-16)23(30)17(2)25(33-24)29-12-10-27(4,5)11-13-29/h6-9,14-15,18,28H,10-13H2,1-5H3,(H,31,32)/t18-/m1/s1","","2023-12-07","2024-03-15","2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid","2024-03-20"],["GFQ","4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C19 H23 F3 N2 O S","CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F;CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C19H23F3N2OS/c1-13(2)4-3-5-17-24-16(12-26-17)14-6-8-15(9-7-14)18(25)23-11-10-19(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)","","2018-09-17","2018-12-21","4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["YO5","(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol","C7 H15 O8 P","O=P(O)(O)CC1OC(C(O)C(O)C1O)CO;OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O","InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1","Beta-1 phosphonomethylene-D-glucopyranose","2013-09-09","2020-07-17","(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol","2014-07-16"],["GFR","4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol","C20 H24 O6","COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O;COc1cc(ccc1O)CC2COC(C2CO)c3ccc(c(c3)OC)O","InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1","(-)-Lariciresinol","2020-08-27","2021-06-04","4-[[(3~{S},4~{S},5~{R})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol","2021-06-09"],["YO6","[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid","C11 H9 F N2 O2 S","O=C(O)Cc1csc(Nc2ccc(F)cc2)n1;OC(=O)Cc1csc(Nc2ccc(F)cc2)n1;c1cc(ccc1Nc2nc(cs2)CC(=O)O)F","InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)","","2023-02-13","2024-02-16","[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid","2024-02-21"],["GFS","2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid","C24 H16 O3 S2","O=C(O)c1ccccc1C(=O)C1c2ccccc2SC1c1csc2ccccc21;OC(=O)c1ccccc1C(=O)[CH]2[CH](Sc3ccccc23)c4csc5ccccc45;c1ccc2c(c1)c(cs2)C3C(c4ccccc4S3)C(=O)c5ccccc5C(=O)O","InChI=1S/C24H16O3S2/c25-22(15-8-1-2-9-16(15)24(26)27)21-17-10-4-6-12-20(17)29-23(21)18-13-28-19-11-5-3-7-14(18)19/h1-13,21,23H,(H,26,27)/t21-,23-/m1/s1","","2023-04-27","2023-06-09","2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid","2023-06-14"],["GFT","(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid","C10 H20 N O5 P","O=C(O)C(N)COP(=O)(OC1CCCCC1)C;C[P](=O)(OC[CH](N)C(O)=O)OC1CCCCC1;CP(=O)(OCC(C(=O)O)N)OC1CCCCC1","InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1","Cyclosarin bound Serine","2013-02-04","2024-09-27","O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine","2013-03-27"],["YO7","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)","C17 H27 N5 O17 P2","NC1=Nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C(O)C(O)C3O)C(O)CO)C(O)C2O)C(=O)N1;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5-,7-,8-,9-,10-,11+,12+,15-,16-/m1/s1","","2021-03-16","2021-03-19","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)","2021-03-24"],["GFU","4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol","C20 H24 O6","COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O;COc1cc(ccc1O)CC2COC(C2CO)c3ccc(c(c3)OC)O","InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1","(+)-Lariciresinol","2020-08-27","2021-06-04","4-[[(3~{R},4~{R},5~{S})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol","2021-06-09"],["YO8","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N-(1,1-dioxo-1lambda~6~-thietan-3-yl)-1-methyl-1H-imidazole-5-carboxamide","C20 H23 Cl N4 O4 S","O=C(NC1CS(=O)(=O)C1)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C;Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1C(=O)NC3C[S](=O)(=O)C3;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)C(=O)NC3CS(=O)(=O)C3)Cl)C#N","InChI=1S/C20H23ClN4O4S/c1-20(2,3)14-5-12(7-22)15(21)6-17(14)29-9-18-23-8-16(25(18)4)19(26)24-13-10-30(27,28)11-13/h5-6,8,13H,9-11H2,1-4H3,(H,24,26)","","2023-06-19","2024-12-13","2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N-(1,1-dioxo-1lambda~6~-thietan-3-yl)-1-methyl-1H-imidazole-5-carboxamide","2024-12-18"],["YO9","4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile","C23 H17 N7 O","N#Cc1ccc(cc1)Nc1ncc2NC(=O)N(c2n1)c1c(C)cc(C=CC#N)cc1C;Cc1cc(C=CC#N)cc(C)c1N2C(=O)Nc3cnc(Nc4ccc(cc4)C#N)nc23;Cc1cc(cc(c1N2c3c(cnc(n3)Nc4ccc(cc4)C#N)NC2=O)C)C=CC#N","InChI=1S/C23H17N7O/c1-14-10-17(4-3-9-24)11-15(2)20(14)30-21-19(28-23(30)31)13-26-22(29-21)27-18-7-5-16(12-25)6-8-18/h3-8,10-11,13H,1-2H3,(H,28,31)(H,26,27,29)/b4-3+","","2022-12-06","2023-01-27","4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile","2023-02-01"],["GFV","Hydroxy Pioglitazone (M-IV)","C19 H20 N2 O4 S","C(Oc2ccc(CC1C(NC(=O)S1)=O)cc2)Cc3ncc(C(C)O)cc3;C[CH](O)c1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1;CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O","InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)/t12-,17-/m0/s1","(5S)-5-{[4-(2-{5-[(1S)-1-hydroxyethyl]pyridin-2-yl}ethoxy)phenyl]methyl}-1,3-thiazolidine-2,4-dione","2018-05-21","2021-03-13","(5S)-5-{[4-(2-{5-[(1S)-1-hydroxyethyl]pyridin-2-yl}ethoxy)phenyl]methyl}-1,3-thiazolidine-2,4-dione","2019-03-13"],["GFW","ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate","C18 H24 N2 O4 S2","CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C;CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C","InChI=1S/C18H24N2O4S2/c1-4-24-18(21)11-17-20-16(12-25-17)14-5-7-15(8-6-14)26(22,23)19-10-9-13(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3","","2018-09-17","2018-12-21","ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate","2018-12-26"],["YOA","5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine","C25 H44 N9 O12 P S3","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)CS;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH](N)CS;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(CS)N)O","InChI=1S/C25H44N9O12PS3/c1-25(2,10-45-47(40,41)42)20(38)23(39)29-4-3-16(35)28-5-6-49-15(13(26)8-48)9-50(43,44)33-7-14-18(36)19(37)24(46-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,36-38,48H,3-10,26H2,1-2H3,(H,28,35)(H,29,39)(H2,27,30,31)(H2,40,41,42)/t13-,14+,15-,18+,19+,20-,24+/m0/s1","","2021-03-16","2024-09-27","5'-{[(2R,3S)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine","2022-02-02"],["YOB","(8S)-2-({[2-chloro-5-(pyridin-4-yl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C20 H19 Cl N6 O","Clc1ccc(cc1CNc1nc2NC(=CC(=O)n2n1)CCC)c1ccncc1;CCCC1=CC(=O)n2nc(NCc3cc(ccc3Cl)c4ccncc4)nc2N1;CCCC1=CC(=O)n2c(nc(n2)NCc3cc(ccc3Cl)c4ccncc4)N1","InChI=1S/C20H19ClN6O/c1-2-3-16-11-18(28)27-20(24-16)25-19(26-27)23-12-15-10-14(4-5-17(15)21)13-6-8-22-9-7-13/h4-11H,2-3,12H2,1H3,(H2,23,24,25,26)","","2023-02-13","2024-02-16","(8S)-2-({[2-chloro-5-(pyridin-4-yl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["GFX","methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical","C10 H16 F N O3","FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C;COC(=O)C1=C(F)C(C)(C)N(O)C1(C)C;CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C","InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3","","2023-07-20","2024-09-27","methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate","2024-06-05"],["YOC","[2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","C23 H25 F4 N5 O3","FC(F)(F)c1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1;Fc1cc(ccc1COC(=O)N2CCC3(CC2)CN(C3)C(=O)[CH]4CCc5[nH]nnc5C4)C(F)(F)F;c1cc(c(cc1C(F)(F)F)F)COC(=O)N2CCC3(CC2)CN(C3)C(=O)C4CCc5c(nn[nH]5)C4","InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)","","2023-06-19","2024-12-13","[2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","2024-12-18"],["GFZ","4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide","C29 H30 N2 O3","CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5;CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5","InChI=1S/C29H30N2O3/c1-20(2)31-16-14-29(15-17-31)19-26(32)25-18-23(12-13-27(25)34-29)21-8-10-22(11-9-21)28(33)30-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33)","","2018-09-17","2018-12-21","4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide","2018-12-26"],["YOD","(1R,3S,5S,7S)-N-[(1r,4R)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide","C25 H36 N2 O S","O=C(NC1CCC(N)CC1)C12CC3CC(CC(CSC)(C3)C1)(C2)c1ccccc1;CSC[C]12C[CH]3C[C](C1)(C[C](C3)(C2)c4ccccc4)C(=O)N[CH]5CC[CH](N)CC5;CSCC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5","InChI=1S/C25H36N2OS/c1-29-17-23-11-18-12-24(14-23,19-5-3-2-4-6-19)16-25(13-18,15-23)22(28)27-21-9-7-20(26)8-10-21/h2-6,18,20-21H,7-17,26H2,1H3,(H,27,28)/t18-,20-,21-,23-,24+,25-/m0/s1","","2021-03-17","2021-11-19","(1R,3S,5S,7S)-N-[(1r,4R)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide","2021-11-24"],["GG0","2-(2-azanylethanoylamino)ethanoic acid","C4 H8 N2 O3","NCC(=O)NCC(O)=O;C(C(=O)NCC(=O)O)N","InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)","","2020-08-07","2021-07-23","2-(2-azanylethanoylamino)ethanoic acid","2021-07-28"],["GG1","4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID","C26 H20 N2 O4","O=C(O)c1ccc(cc1)CN4C(=O)c3c(ccc(C#CCc2ccccc2)c3)N(C4=O)C;CN1C(=O)N(Cc2ccc(cc2)C(O)=O)C(=O)c3cc(ccc13)C#CCc4ccccc4;CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4","InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)","","2007-03-01","2011-06-04","4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid",""],["YOE","nalterxone","C20 H23 N O4","O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c54;Oc1ccc2C[CH]3N(CC[C]45[CH](Oc1c24)C(=O)CC[C]35O)CC6CC6;c1cc(c2c3c1CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)O","InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20+/m0/s1","","2023-12-07","2024-12-06","17-(cyclopropylmethyl)-3,14-dihydroxy-5beta,9alpha,13alpha-4,5-epoxymorphinan-6-one","2024-12-11"],["YOF","3-FLUOROTYROSINE","C9 H10 F N O3","Fc1cc(ccc1O)CC(C(=O)O)N;N[CH](Cc1ccc(O)c(F)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)F)O","InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1","","1999-07-08","2024-09-27","3-fluoro-L-tyrosine",""],["GG2","1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE","C25 H25 N5 O4","O=C5N(c4ccc(N3C(=O)c1c(c(nn1c2ccc(OC)cc2)C(=O)N)CC3)cc4)CCCC5;COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O;COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O","InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)","","2007-03-09","2011-06-04","1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide",""],["YOG","1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate","C21 H40 O4","O(C(CO)CO)C(=O)CCCCCCC[C@H]=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO;CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO","InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-","","2020-08-27","2021-03-05","1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate","2021-03-10"],["GG3","{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID)","C14 H25 N O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)CCN(C)CCCCc1ccccc1;CN(CCCCc1ccccc1)CCC(O)([P](O)(O)=O)[P](O)(O)=O;CN(CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)","","2007-04-13","2011-06-04","{1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)",""],["YOH","N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine","C25 H44 N6 O2","CN(C)CCCCCCNc1nc(nc2cc(OC)c(cc21)OC)NCCCCCN(C)C;COc1cc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c2cc1OC;CN(C)CCCCCCNc1c2cc(c(cc2nc(n1)NCCCCCN(C)C)OC)OC","InChI=1S/C25H44N6O2/c1-30(2)16-12-8-7-10-14-26-24-20-18-22(32-5)23(33-6)19-21(20)28-25(29-24)27-15-11-9-13-17-31(3)4/h18-19H,7-17H2,1-6H3,(H2,26,27,28,29)","","2023-02-14","2023-02-17","N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine","2023-02-22"],["GG4","(2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE","C37 H57 N7 O8","O=C(NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(O)C(=O)NC1CC1)CCC)CC3CCCCC23)C(C)(C)C)C4CCCCC4)C5N=CC([N+](=O)[O-])=C5;CCC[CH](NC(=O)[CH]1C[CH]2CCCC[CH]2N1C(=O)[CH](NC(=O)[CH](NC(=O)[CH]3C=C(C=N3)[N+]([O-])=O)C4CCCCC4)C(C)(C)C)[CH](O)C(=O)NC5CC5;CCCC(C(C(=O)NC1CC1)O)NC(=O)C2CC3CCCCC3N2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]","InChI=1S/C37H57N7O8/c1-5-11-25(30(45)35(49)39-23-16-17-23)40-33(47)28-18-22-14-9-10-15-27(22)43(28)36(50)31(37(2,3)4)42-34(48)29(21-12-7-6-8-13-21)41-32(46)26-19-24(20-38-26)44(51)52/h19-23,25-31,45H,5-18H2,1-4H3,(H,39,49)(H,40,47)(H,41,46)(H,42,48)/t22-,25-,26+,27-,28-,29-,30+,31+/m0/s1","","2007-04-30","2011-06-04","(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-2-cyclohexyl-2-({[(2R)-4-nitro-2H-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1H-indole-2-carboxamide (non-preferred name)",""],["GG5","4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE","C14 H10 F N3","Fc3ccc(c2nncc2c1ccncc1)cc3;Fc1ccc(cc1)c2n[nH]cc2c3ccncc3;c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F","InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)","","2007-03-21","2011-06-04","4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine",""],["YOI","(2-{[(2R)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone","C19 H18 Cl2 N4 O2","O=C(N1CCC21COC2)c1cnc(NC2Cc3cc(Cl)cc(Cl)c3C2)nc1;Clc1cc(Cl)c2C[CH](Cc2c1)Nc3ncc(cn3)C(=O)N4CCC45COC5;c1c(cc(c2c1CC(C2)Nc3ncc(cn3)C(=O)N4CCC45COC5)Cl)Cl","InChI=1S/C19H18Cl2N4O2/c20-13-3-11-4-14(6-15(11)16(21)5-13)24-18-22-7-12(8-23-18)17(26)25-2-1-19(25)9-27-10-19/h3,5,7-8,14H,1-2,4,6,9-10H2,(H,22,23,24)/t14-/m1/s1","","2023-06-19","2024-12-13","(2-{[(2R)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone","2024-12-18"],["GG6","[(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID","C3 H9 O5 P","O=P(O)(O)C(O)C(O)C;C[CH](O)[CH](O)[P](O)(O)=O;CC(C(O)P(=O)(O)O)O","InChI=1S/C3H9O5P/c1-2(4)3(5)9(6,7)8/h2-5H,1H3,(H2,6,7,8)/t2-,3-/m0/s1","","2007-03-21","2024-09-27","[(1S,2S)-1,2-dihydroxypropyl]phosphonic acid",""],["YOJ","5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid","C33 H25 F2 N7 O7 S2","O=C(O)c1nn[NH]c1Oc1ccc(cc1)c1cc(ccc1F)c1nn(c2nc(cs2)C(=O)O)c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O;N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c4ccc(F)c(c4)c5ccc(Oc6[nH]nnc6C(O)=O)cc5)c7scc(n7)C(O)=O)cc1F;c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O","InChI=1S/C33H25F2N7O7S2/c34-23-9-6-19(14-21(23)18-4-7-20(8-5-18)49-30-29(32(45)46)38-41-39-30)28-22(11-17-3-10-27(24(35)12-17)51(36,47)48)26(13-16-1-2-16)42(40-28)33-37-25(15-50-33)31(43)44/h3-10,12,14-16H,1-2,11,13H2,(H,43,44)(H,45,46)(H2,36,47,48)(H,38,39,41)","","2021-03-17","2021-07-09","5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid","2021-07-14"],["GG7","[(1R)-1-AMINOETHYL]PHOSPHONIC ACID","C2 H8 N O3 P","O=P(O)(O)C(N)C;C[CH](N)[P](O)(O)=O;CC(N)P(=O)(O)O","InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1","","2007-04-13","2024-09-27","[(1R)-1-aminoethyl]phosphonic acid",""],["YOK","[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON","C23 H18 Fe N2 O4","O=C(O)CCc6cc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)cc6;OC(=O)CCc1ccc2c(c1)[N+]3=Cc4ccccc4O[Fe]35Oc6ccccc6C=[N+]25;c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe]35O2)CCC(=O)O","InChI=1S/C23H20N2O4.Fe/c26-21-7-3-1-5-17(21)14-24-19-11-9-16(10-12-23(28)29)13-20(19)25-15-18-6-2-4-8-22(18)27;/h1-9,11,13-15,26-27H,10,12H2,(H,28,29);/q;+4/p-2/b24-14+,25-15+;","SALOPHEN-10-PROPIONATE IRON CHELATE","2005-03-09","2020-06-17","{3-[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)phenyl]propanoato(2-)}iron(2+)",""],["YOL","[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON","C21 H14 Fe N2 O4","O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6;OC(=O)c1ccc2c(c1)[N+]3=Cc4ccccc4O[Fe]35Oc6ccccc6C=[N+]25;c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe]35O2)C(=O)O","InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25;/h1-13,24-25H,(H,26,27);/q;+4/p-2/b22-12+,23-13+;","SALOPHEN-10-CARBOXYLATE IRON CHELATE","2005-03-09","2021-03-01","[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+)",""],["GG8","~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide","C9 H10 F3 N O2 S","FC(F)(F)CCN[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F","InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2","","2018-09-17","2018-12-21","~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide","2018-12-26"],["YOM","2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON","C20 H14 Fe N2 O2","O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6;O1c2ccccc2C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]135;c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2","InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+4/p-2/b21-13+,22-14+;","SALOPHEN IRON CHELATE","2005-03-15","2021-03-01","[2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+)",""],["GG9","(3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID","C10 H14 F2 O14 P2","FC(F)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)C(=O)O;O[CH]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)O[C](O[P](O)(O)=O)(C(F)F)C(O)=O;C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)OC(C(F)F)(C(=O)O)OP(=O)(O)O","InChI=1S/C10H14F2O14P2/c11-8(12)10(9(16)17,26-28(21,22)23)24-4-1-3(7(14)15)2-5(6(4)13)25-27(18,19)20/h2,4-6,8,13H,1H2,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)/t4-,5-,6+,10+/m1/s1","","2007-05-03","2011-06-04","(3R,4S,5R)-5-[(1R)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["YOO","3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide","C24 H31 N3 O4 S","O=S(=O)(c1ccc(NC(=O)c2cc(cc(OC)c2)C2CCN(C)CC2)cc1)N1CCCC1;COc1cc(cc(c1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCC3)C4CCN(C)CC4;CN1CCC(CC1)c2cc(cc(c2)OC)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4","InChI=1S/C24H31N3O4S/c1-26-13-9-18(10-14-26)19-15-20(17-22(16-19)31-2)24(28)25-21-5-7-23(8-6-21)32(29,30)27-11-3-4-12-27/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,28)","","2023-02-15","2023-02-17","3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide","2023-02-22"],["GGA","D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE","C17 H37 N5 O9 P2","O=P(OP(=O)(O)O)(CNC(=O)C(NC(=O)CCC(C(=O)O)N)C)CCCCNCCCCN;C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NC[P](=O)(CCCCNCCCCN)O[P](O)(O)=O;CC(C(=O)NCP(=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C17H37N5O9P2/c1-13(22-15(23)7-6-14(19)17(25)26)16(24)21-12-32(27,31-33(28,29)30)11-5-4-10-20-9-3-2-8-18/h13-14,20H,2-12,18-19H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H2,28,29,30)/t13-,14-,32-/m1/s1","","2006-10-13","2011-06-04","D-gamma-glutamyl-N-{[(R)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-D-alaninamide",""],["GGB","L-CANAVANINE","C5 H12 N4 O3","O=C(O)C(N)CCONC(=[N@H])N;N[CH](CCONC(N)=N)C(O)=O;[H]N=C(N)NOCCC(C(=O)O)N","InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1","L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID","1999-07-27","2024-09-27","O-carbamimidamido-L-homoserine",""],["YOP","3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one","C8 H12 N2 O2","O=C1NC=CC=C1CC(N)CO;N[CH](CO)CC1=CC=CNC1=O;C1=CNC(=O)C(=C1)CC(CO)N","InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1","","2021-03-17","2024-09-27","3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one","2021-08-25"],["YOQ","[3-chloro-5-(methanesulfonyl)phenyl]methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate","C23 H24 Cl N5 O5 S","CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2(CC1)CN(C2)C(=O)c1cc2nn[NH]c2cc1;C[S](=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)c4ccc5[nH]nnc5c4)c1;CS(=O)(=O)c1cc(cc(c1)Cl)COC(=O)N2CCC3(CC2)CN(C3)C(=O)c4ccc5c(c4)nn[nH]5","InChI=1S/C23H24ClN5O5S/c1-35(32,33)18-9-15(8-17(24)11-18)12-34-22(31)28-6-4-23(5-7-28)13-29(14-23)21(30)16-2-3-19-20(10-16)26-27-25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,26,27)","","2023-06-19","2024-12-13","[3-chloro-5-(methanesulfonyl)phenyl]methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate","2024-12-18"],["GGC","1-MENAPHTHYL GLUTATHIONE CONJUGATE","C21 H25 N3 O6 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCc2cccc1ccccc12;N[CH](CCC(=O)N[CH](CSCc1cccc2ccccc12)C(=O)NCC(O)=O)C(O)=O;c1ccc2c(c1)cccc2CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C21H25N3O6S/c22-16(21(29)30)8-9-18(25)24-17(20(28)23-10-19(26)27)12-31-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,16-17H,8-12,22H2,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t16-,17-/m0/s1","","2001-03-28","2011-06-04","L-gamma-glutamyl-S-(naphthalen-1-ylmethyl)-L-cysteinylglycine",""],["YOR","N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide","C27 H23 N3 O3 S","Cc1ccccc1C1NC(=O)c2cc(NC3COC3)cc(NC(=O)c3csc4ccccc43)c21;Cc1ccccc1[CH]2NC(=O)c3cc(NC4COC4)cc(NC(=O)c5csc6ccccc56)c23;Cc1ccccc1C2c3c(cc(cc3NC(=O)c4csc5c4cccc5)NC6COC6)C(=O)N2","InChI=1S/C27H23N3O3S/c1-15-6-2-3-7-18(15)25-24-20(26(31)30-25)10-16(28-17-12-33-13-17)11-22(24)29-27(32)21-14-34-23-9-5-4-8-19(21)23/h2-11,14,17,25,28H,12-13H2,1H3,(H,29,32)(H,30,31)/t25-/m0/s1","","2023-12-08","2024-03-15","N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide","2024-03-20"],["GGD","NONADEC-10-ENOIC ACID\n2-[3,4-DIHYDROXY-6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]\n-1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER","C52 H94 O15","O=C(OCC(OC(=O)CCCCCCCC/C=C/CCCCCCCC)COC2OC(CO)C(O)C(OC1OC(C(O)C(O)C1O)CO)C2O)CCCCCCC/C=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O)COC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C52H94O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(56)64-40(38-62-43(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-63-51-49(61)50(46(58)42(37-54)65-51)67-52-48(60)47(59)45(57)41(36-53)66-52/h17-20,40-42,45-54,57-61H,3-16,21-39H2,1-2H3/b19-17+,20-18+/t40?,41-,42-,45-,46+,47+,48-,49-,50+,51-,52+/m1/s1","GLUCOSYL-GALACTOSYL DIACYL-GLYCEROL","2002-07-25","2020-06-17","(1S)-2-[(3-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-1-{[(9E)-octadec-9-enoyloxy]methyl}ethyl (10E)-nonadec-10-enoate",""],["YOS","[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid","C27 H30 F N3 O3","Fc1cc(c(OC)cc1)c1ccnc2[NH]c(cc12)C1=CCN(CC1)C1CCC(CC(=O)O)CC1;COc1ccc(F)cc1c2ccnc3[nH]c(cc23)C4=CCN(CC4)[CH]5CC[CH](CC5)CC(O)=O;COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F","InChI=1S/C27H30FN3O3/c1-34-25-7-4-19(28)15-22(25)21-8-11-29-27-23(21)16-24(30-27)18-9-12-31(13-10-18)20-5-2-17(3-6-20)14-26(32)33/h4,7-9,11,15-17,20H,2-3,5-6,10,12-14H2,1H3,(H,29,30)(H,32,33)/t17-,20-","","2021-03-18","2021-07-02","[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid","2021-07-07"],["GGE","(1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol","C17 H20 O6","O(c1ccccc1OC)C(CO)C(O)c2ccc(O)c(OC)c2;COc1ccccc1O[CH](CO)[CH](O)c2ccc(O)c(OC)c2;COc1ccccc1OC(CO)C(c2ccc(c(c2)OC)O)O","InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3/t16-,17+/m1/s1","","2015-02-20","2016-03-04","(1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol","2016-03-09"],["YOT","(3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione","C20 H16 N4 O4","O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)Nc1noc2ccccc21;O=C1CC[CH](N2Cc3cc(Nc4noc5ccccc45)ccc3C2=O)C(=O)N1;c1ccc2c(c1)c(no2)Nc3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O","InChI=1S/C20H16N4O4/c25-17-8-7-15(19(26)22-17)24-10-11-9-12(5-6-13(11)20(24)27)21-18-14-3-1-2-4-16(14)28-23-18/h1-6,9,15H,7-8,10H2,(H,21,23)(H,22,25,26)/t15-/m0/s1","","2023-02-15","2023-12-08","(3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione","2023-12-13"],["GGF","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one","C20 H22 F2 N10 O12 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)NC(=Nc67)N;c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N","InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1","","2020-03-20","2021-03-26","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one","2021-03-31"],["YOV","4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one","C15 H19 Cl N4 O","CN1N=CC(Nc2ccc(CCN(C)C)cc2)=C(Cl)C1=O;CN(C)CCc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1;CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl","InChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3","","2021-03-18","2022-02-11","4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one","2022-02-16"],["GGG","glycylglycylglycine","C6 H11 N3 O4","O=C(NCC(=O)O)CNC(=O)CN;NCC(=O)NCC(=O)NCC(O)=O;C(C(=O)NCC(=O)NCC(=O)O)N","InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)","","2009-06-09","2011-11-17","glycylglycylglycine",""],["GGH","2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE","C11 H18 N5 O12 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-31(24,25)28-30(22,23)4-29(19,20)21/h3,5-7,17H,1-2,4H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1","","2006-10-26","2011-06-04","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine",""],["YOW","1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one","C21 H23 N7 O2","O=C(COCCc1cnn[NH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1;O=C(COCCc1[nH]nnc1)N2Cc3cnc(NC4Cc5ccccc5C4)nc3C2;c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CN(C4)C(=O)COCCc5cnn[nH]5","InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27)","","2023-06-19","2024-12-13","1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one","2024-12-18"],["GGI","(5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide","C41 H48 N8 O6 S","NCc1ccc(cc1)CNC(=O)C1NC(=O)C(NS(=O)(=O)c2ccccc2)Cc2ccc(NC(=O)CN3CCN(CCC(=O)Nc4ccc(C1)cc4)CC3)cc2;NCc1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CC(=O)Nc5ccc(C[CH](N[S](=O)(=O)c6ccccc6)C(=O)N2)cc5)cc3)cc1;c1ccc(cc1)S(=O)(=O)NC2Cc3ccc(cc3)NC(=O)CN4CCN(CCC(=O)Nc5ccc(cc5)CC(NC2=O)C(=O)NCc6ccc(cc6)CN)CC4","InChI=1S/C41H48N8O6S/c42-26-31-6-8-32(9-7-31)27-43-40(52)36-24-29-10-14-33(15-11-29)44-38(50)18-19-48-20-22-49(23-21-48)28-39(51)45-34-16-12-30(13-17-34)25-37(41(53)46-36)47-56(54,55)35-4-2-1-3-5-35/h1-17,36-37,47H,18-28,42H2,(H,43,52)(H,44,50)(H,45,51)(H,46,53)/t36-,37+/m0/s1","","2021-12-21","2023-02-03","(5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide","2023-02-08"],["YOX","2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile","C14 H13 I N2","Ic1cccc2c1[nH]c(C3CCCC3)c2C#N;c1cc2c(c([nH]c2c(c1)I)C3CCCC3)C#N","InChI=1S/C14H13IN2/c15-12-7-3-6-10-11(8-16)13(17-14(10)12)9-4-1-2-5-9/h3,6-7,9,17H,1-2,4-5H2","","2023-12-08","2024-09-20","2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile","2024-09-25"],["YOY","[[(2S,3aS,5S,6R,6aS)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C28 H47 N5 O14 P2","CCCCCCCCCCCC[CH]1O[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O1;CCCCCCCCCCCCC1OC2C(C(OC2O1)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C28H47N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-19-45-24-22(35)18(44-28(24)46-19)14-42-49(39,40)47-48(37,38)41-13-17-21(34)23(36)27(43-17)33-16-32-20-25(29)30-15-31-26(20)33/h15-19,21-24,27-28,34-36H,2-14H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t17-,18+,19+,21-,22-,23-,24+,27-,28+/m1/s1","","2019-11-08","2021-03-26","[[(2~{S},3~{a}~{S},5~{S},6~{R},6~{a}~{S})-2-dodecyl-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2021-03-31"],["GGJ","4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine","C22 H20 N4 O","O(C)c1ccc(cc1)c4c(c3cc(c2cccc(c2)N)ccc3)c(nn4)N;COc1ccc(cc1)c2n[nH]c(N)c2c3cccc(c3)c4cccc(N)c4;COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N","InChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26)","","2016-02-22","2016-04-01","4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine","2016-04-06"],["YOZ","(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide","C12 H22 N4 O3","OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1;N[C]1(O)CC[CH](N(C1)C=O)C(=O)NC2CCNCC2;C1CC(CN(C1C(=O)NC2CCNCC2)C=O)(N)O","InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1","Relebactam, the acylated, desulfated, imine-hydrolysis intermediate","2023-02-15","2024-09-27","(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide","2023-08-09"],["GGK","4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide","C13 H15 F3 N2 O4 S2","C[S](=O)(=O)NCC#Cc1ccc(cc1)[S](=O)(=O)NCCC(F)(F)F;CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F","InChI=1S/C13H15F3N2O4S2/c1-23(19,20)17-9-2-3-11-4-6-12(7-5-11)24(21,22)18-10-8-13(14,15)16/h4-7,17-18H,8-10H2,1H3","","2018-09-17","2018-12-21","4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide","2018-12-26"],["GGL","GAMMA-L-GLUTAMIC ACID","C5 H9 N O4","O=C(O)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","L-GLUTAMIC ACID","1999-07-08","2025-06-18","L-glutamic acid",""],["YP0","(4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one","C24 H17 F N4 O2","Cc1nnc(o1)c1cc(ccc1)C=1CC(=O)Nc2cc(ccc2N=1)c1ccccc1F;Cc1oc(nn1)c2cccc(c2)C3=Nc4ccc(cc4NC(=O)C3)c5ccccc5F;Cc1nnc(o1)c2cccc(c2)C3=Nc4ccc(cc4NC(=O)C3)c5ccccc5F","InChI=1S/C24H17FN4O2/c1-14-28-29-24(31-14)17-6-4-5-16(11-17)21-13-23(30)27-22-12-15(9-10-20(22)26-21)18-7-2-3-8-19(18)25/h2-12H,13H2,1H3,(H,27,30)","","2023-06-19","2024-12-13","(4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one","2024-12-18"],["GGM","3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate","C18 H24 N7 O14 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=C(NC4=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O","InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1","MANT-GMPPNP","2011-08-03","2021-03-01","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine",""],["YP1","2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile","C24 H25 Cl N2 O2","N#Cc1c(cccc1Cl)OCC(O)CNC(C)(C)Cc1cc2ccccc2cc1;CC(C)(Cc1ccc2ccccc2c1)NC[CH](O)COc3cccc(Cl)c3C#N;CC(C)(Cc1ccc2ccccc2c1)NCC(COc3cccc(c3C#N)Cl)O","InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1","","2021-03-18","2021-06-11","2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile","2021-06-16"],["YP2","2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid","C11 H7 N O6","OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(O)=O;c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CC(=O)O","InChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18)","","2023-12-08","2024-07-26","2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid","2024-07-31"],["GGN","4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C21 H20 F3 N3 O S","CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F;CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F","InChI=1S/C21H20F3N3OS/c1-2-3-17-12-16(8-10-25-17)20-27-18(13-29-20)14-4-6-15(7-5-14)19(28)26-11-9-21(22,23)24/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28)","","2018-09-17","2018-12-21","4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["GGO","(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE","C20 H19 F3 N2 O3","Fc1cc(c(F)cc1F)C2CC(=O)N(CC2N)CCc3ccc4OCOc4c3;N[CH]1CN(CCc2ccc3OCOc3c2)C(=O)C[CH]1c4cc(F)c(F)cc4F;c1cc2c(cc1CCN3CC(C(CC3=O)c4cc(c(cc4F)F)F)N)OCO2","InChI=1S/C20H19F3N2O3/c21-14-8-16(23)15(22)6-12(14)13-7-20(26)25(9-17(13)24)4-3-11-1-2-18-19(5-11)28-10-27-18/h1-2,5-6,8,13,17H,3-4,7,9-10,24H2/t13-,17+/m1/s1","","2007-02-05","2011-06-04","(4R,5R)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one",""],["YP3","5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide","C17 H13 Br N2 O2","Brc1cc(c(O)cc1)C(=O)NCc1ccc2ncccc2c1;Oc1ccc(Br)cc1C(=O)NCc2ccc3ncccc3c2;c1cc2cc(ccc2nc1)CNC(=O)c3cc(ccc3O)Br","InChI=1S/C17H13BrN2O2/c18-13-4-6-16(21)14(9-13)17(22)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,21H,10H2,(H,20,22)","","2023-02-15","2024-02-16","5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide","2024-02-21"],["GGP","BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE","C41 H32 O26","O=C(OC4OC(C(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c2cc(O)c(O)c(O)c2)C4OC(=O)c3cc(O)c(O)c(O)c3)COC(=O)c5cc(O)c(O)c(O)c5)c6cc(O)c(O)c(O)c6;Oc1cc(cc(O)c1O)C(=O)OC[CH]2O[CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](OC(=O)c4cc(O)c(O)c(O)c4)[CH](OC(=O)c5cc(O)c(O)c(O)c5)[CH]2OC(=O)c6cc(O)c(O)c(O)c6;c1c(cc(c(c1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O","InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34-,35-,41-/m0/s1","","2001-07-11","2011-06-04","1,2,3,4,6-pentakis-O-[(3,4,5-trihydroxyphenyl)carbonyl]-alpha-L-gulopyranose",""],["YP4","N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine","C22 H22 F3 N","FC(F)(F)c1cccc(CCCNC(C)c2cccc3ccccc32)c1;C[CH](NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23;CC(c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F","InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1","","2021-03-18","2021-06-25","N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine","2021-06-30"],["YP5","(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)[(4s,6S)-6-hydroxy-6-methyl-1-azaspiro[3.3]heptan-1-yl]methanone","C21 H23 Cl N4 O2","O=C(c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1)N1CCC21CC(C)(O)C2;C[C]1(O)C[C]2(CCN2C(=O)c3cnc(N[CH]4Cc5ccc(Cl)cc5C4)nc3)C1;CC1(CC2(C1)CCN2C(=O)c3cnc(nc3)NC4Cc5ccc(cc5C4)Cl)O","InChI=1S/C21H23ClN4O2/c1-20(28)11-21(12-20)4-5-26(21)18(27)15-9-23-19(24-10-15)25-17-7-13-2-3-16(22)6-14(13)8-17/h2-3,6,9-10,17,28H,4-5,7-8,11-12H2,1H3,(H,23,24,25)/t17-,20-,21+/m0/s1","","2023-06-19","2024-12-13","(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)[(4s,6S)-6-hydroxy-6-methyl-1-azaspiro[3.3]heptan-1-yl]methanone","2024-12-18"],["GGQ","1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone","C17 H21 F3 N4 O S","CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)N3CCNCC3;Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(F)(F)F)C(=O)C","InChI=1S/C17H21F3N4OS/c1-10-14(11(2)25)12(3-4-17(18,19)20)15(22-10)13-9-26-16(23-13)24-7-5-21-6-8-24/h9,21-22H,3-8H2,1-2H3","","2022-02-02","2022-09-23","1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["YP6","2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide","C16 H12 F N3 O2 S","Fc1cccc(OCC(=O)Nc2scc(n2)c3ccccn3)c1;c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F","InChI=1S/C16H12FN3O2S/c17-11-4-3-5-12(8-11)22-9-15(21)20-16-19-14(10-23-16)13-6-1-2-7-18-13/h1-8,10H,9H2,(H,19,20,21)","","2017-01-27","2017-10-20","2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide","2017-10-25"],["GGS","phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid","C20 H36 O6 P2 S","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C)C","InChI=1S/C20H36O6P2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-29-28(24,25)26-27(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13?,20-15-","","2010-02-16","2011-06-04","phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid",""],["GGT","Trioxacarcin A","C42 H52 O20","O=C(OC1C(O)(C)CC(OC1C)OC9c5c(c(O)c4c3OC8(OC2OC(C)C(O)(C(=O)C)C(O)C2)C6OC(OC6c3c(cc4c5OC)C)(C(OC)OC)C87OC7)C(=O)C(O)C9)C;COC(OC)[C]12O[CH]3[CH](O1)[C](O[CH]4C[CH](O)[C](O)([CH](C)O4)C(C)=O)(Oc5c3c(C)cc6c(OC)c7[CH](C[CH](O)C(=O)c7c(O)c56)O[CH]8C[C](C)(O)[CH](OC(C)=O)[CH](C)O8)[C]29CO9;Cc1cc2c(c(c3c(c2OC)C(CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O)c5c1C6C7C(O5)(C8(CO8)C(O6)(O7)C(OC)OC)OC9CC(C(C(O9)C)(C(=O)C)O)O","InChI=1S/C42H52O20/c1-15-10-20-27(31(48)29-28(32(20)51-7)22(11-21(45)30(29)47)58-25-13-38(6,49)35(16(2)55-25)57-19(5)44)33-26(15)34-36-41(60-33,39(14-54-39)42(61-34,62-36)37(52-8)53-9)59-24-12-23(46)40(50,17(3)43)18(4)56-24/h10,16,18,21-25,34-37,45-46,48-50H,11-14H2,1-9H3/t16-,18-,21-,22-,23+,24-,25-,34-,35+,36-,38+,39-,40+,41+,42-/m0/s1","(1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4H-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside","2008-01-31","2021-03-13","(1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4H-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside",""],["YP8","(8S)-5-benzyl-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C23 H20 Cl N7 O","Cn1ccc(n1)c1cc(CNc2nc3NC(=CC(=O)n3n2)Cc2ccccc2)c(Cl)cc1;Cn1ccc(n1)c2ccc(Cl)c(CNc3nn4C(=O)C=C(Cc5ccccc5)Nc4n3)c2;Cn1ccc(n1)c2ccc(c(c2)CNc3nc4n(n3)C(=O)C=C(N4)Cc5ccccc5)Cl","InChI=1S/C23H20ClN7O/c1-30-10-9-20(28-30)16-7-8-19(24)17(12-16)14-25-22-27-23-26-18(13-21(32)31(23)29-22)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3,(H2,25,26,27,29)","","2023-02-15","2024-02-16","(8S)-5-benzyl-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["YP9","[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone","C25 H23 N5 O3","COc1cc(cc2ccccc21)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;COc1cc(cc2ccccc12)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc6[nH]nnc6c5;COc1cc(cc2c1cccc2)C(=O)N3CC4CN(CC4C3)C(=O)c5ccc6c(c5)nn[nH]6","InChI=1S/C25H23N5O3/c1-33-23-10-17(8-15-4-2-3-5-20(15)23)25(32)30-13-18-11-29(12-19(18)14-30)24(31)16-6-7-21-22(9-16)27-28-26-21/h2-10,18-19H,11-14H2,1H3,(H,26,27,28)/t18-,19-/m0/s1","","2023-06-19","2024-12-13","[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone","2024-12-18"],["GGU","2-(6-amino-5-phenylpyridazin-3-yl)phenol","C16 H13 N3 O","Oc1ccccc1c1cc(c(N)nn1)c1ccccc1;Nc1nnc(cc1c2ccccc2)c3ccccc3O;c1ccc(cc1)c2cc(nnc2N)c3ccccc3O","InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)","","2021-12-21","2022-08-12","2-(6-amino-5-phenylpyridazin-3-yl)phenol","2022-08-17"],["GGV","methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate","C49 H63 N7 O7","O=C(OC)NC(C(=O)NC(Cc2ccc(c1ncccc1)cc2)CC(O)C(NC(=O)C(N3C=CN(C3=O)Cc4nc(ccc4)C(O)(C)C)C(C)(C)C)Cc5ccccc5)C(C)(C)C;COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](N2C=CN(Cc3cccc(n3)C(C)(C)O)C2=O)C(C)(C)C)Cc4ccc(cc4)c5ccccn5)C(C)(C)C;CC(C)(C)C(C(=O)NC(Cc1ccc(cc1)c2ccccn2)CC(C(Cc3ccccc3)NC(=O)C(C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC","InChI=1S/C49H63N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-27,36,38-39,41-42,57,62H,28-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38+,39+,41-,42-/m1/s1","","2009-05-13","2011-06-04","methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate",""],["YPA","(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID","C25 H25 N O4","O=C(O)C(OCC)Cc4ccc(OCCn3c1ccccc1c2c3cccc2)cc4;CCO[CH](Cc1ccc(OCCn2c3ccccc3c4ccccc24)cc1)C(O)=O;CCOC(Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O","InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1","","2001-12-27","2011-06-04","(2S)-3-{4-[2-(9H-carbazol-9-yl)ethoxy]phenyl}-2-ethoxypropanoic acid",""],["GGW","methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate","C39 H53 N5 O7","O=C(OC)NC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C;COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccn3)C(C)(C)C;CC(C)(C)C(C(=O)NC(Cc1ccc(cc1)c2ccccn2)CC(C(Cc3ccccc3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC","InChI=1S/C39H53N5O7/c1-38(2,3)32(43-36(48)50-7)34(46)41-28(22-26-17-19-27(20-18-26)29-16-12-13-21-40-29)24-31(45)30(23-25-14-10-9-11-15-25)42-35(47)33(39(4,5)6)44-37(49)51-8/h9-21,28,30-33,45H,22-24H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t28-,30-,31-,32+,33+/m0/s1","","2009-05-13","2011-06-04","methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate (non-preferred name)",""],["YPB","(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione","C27 H27 N3 O6","Cc1ccc2c(OCCOc3ccccc3COC(=O)C3=C(C)NC=4N(CC)C(=O)NC(=O)C=4C32)c1;CCN1C(=O)NC(=O)C2=C1NC(=C3[CH]2c4ccc(C)cc4OCCOc5ccccc5COC3=O)C;CCN1C2=C(C3c4ccc(cc4OCCOc5ccccc5COC(=O)C3=C(N2)C)C)C(=O)NC1=O","InChI=1S/C27H27N3O6/c1-4-30-24-23(25(31)29-27(30)33)22-18-10-9-15(2)13-20(18)35-12-11-34-19-8-6-5-7-17(19)14-36-26(32)21(22)16(3)28-24/h5-10,13,22,28H,4,11-12,14H2,1-3H3,(H,29,31,33)/t22-/m1/s1","JJ-II-363A","2023-12-08","2024-12-13","(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione","2024-12-18"],["GGX","methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate","C47 H59 N7 O6","O=C(OC)NC(C(=O)NC(Cc2ccc(c1ncccc1)cc2)CC(O)C(NC(=O)C(N3C=CN(C3=O)Cc4nc(ccc4)C)C(C)(C)C)Cc5ccccc5)C(C)(C)C;COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](N2C=CN(Cc3cccc(C)n3)C2=O)C(C)(C)C)Cc4ccc(cc4)c5ccccn5)C(C)(C)C;Cc1cccc(n1)CN2C=CN(C2=O)C(C(=O)NC(Cc3ccccc3)C(CC(Cc4ccc(cc4)c5ccccn5)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C(C)(C)C","InChI=1S/C47H59N7O6/c1-31-15-14-18-35(49-31)30-53-25-26-54(45(53)59)41(47(5,6)7)43(57)51-38(28-32-16-10-9-11-17-32)39(55)29-36(50-42(56)40(46(2,3)4)52-44(58)60-8)27-33-20-22-34(23-21-33)37-19-12-13-24-48-37/h9-26,36,38-41,55H,27-30H2,1-8H3,(H,50,56)(H,51,57)(H,52,58)/t36-,38+,39+,40-,41-/m1/s1","","2009-05-13","2011-06-04","methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate",""],["YPC","S-[(2S)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-N-pentadecanoyl-D-cysteine","C50 H95 N O7 S","O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCC)C(=O)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](NC(=O)CCCCCCCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC","InChI=1S/C50H95NO7S/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-48(53)57-42-45(58-49(54)41-38-35-32-28-21-18-15-12-9-6-3)43-59-44-46(50(55)56)51-47(52)39-36-33-30-27-25-23-20-17-14-11-8-5-2/h45-46H,4-44H2,1-3H3,(H,51,52)(H,55,56)/t45-,46+/m0/s1","","2021-04-09","2024-09-27","S-[(2S)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-N-pentadecanoyl-D-cysteine","2021-08-11"],["YPD","(2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide","C20 H14 Cl N3 O5 S","Cc1oncc1C(/O)=C(C#N)C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1;Cc1oncc1C(O)=C(C#N)C(=O)Nc2ccc(cc2)[S](=O)(=O)c3ccc(Cl)cc3;Cc1c(cno1)C(=C(C#N)C(=O)Nc2ccc(cc2)S(=O)(=O)c3ccc(cc3)Cl)O","InChI=1S/C20H14ClN3O5S/c1-12-18(11-23-29-12)19(25)17(10-22)20(26)24-14-4-8-16(9-5-14)30(27,28)15-6-2-13(21)3-7-15/h2-9,11,25H,1H3,(H,24,26)/b19-17-","","2023-02-15","2024-02-16","(2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide","2024-02-21"],["GGY","4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE","C24 H25 F3 N4 O2 S","FC(F)(F)/C=CC(Oc1c(C(=O)N)ccc(c1)c3cc(c2scc(c2)CN(C)C)cnc3N)C;C[CH](Oc1cc(ccc1C(N)=O)c2cc(cnc2N)c3scc(CN(C)C)c3)C=CC(F)(F)F;CC(C=CC(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C","InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1","","2012-01-19","2014-09-05","4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(2R,3Z)-5,5,5-trifluoropent-3-en-2-yl]oxy}benzamide",""],["GGZ","(2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN-9-YL)-6-({[(R)-HYDROXY(SULFOOXY)PHOSPHORYL]OXY}METHYL)TETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-2-OL 2-OXIDE","C10 H13 N5 O12 P2 S","O=P3(OC4C(OC(n1c2ncnc(N)c2nc1)C4O3)COP(=O)(O)OS(=O)(=O)O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[S](O)(=O)=O)[CH]4O[P](O)(=O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O4)O)N","InChI=1S/C10H13N5O12P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(25-29(18,19)26-7)4(24-10)1-23-28(16,17)27-30(20,21)22/h2-4,6-7,10H,1H2,(H,16,17)(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1","","2007-04-05","2011-06-04","(2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-({[(R)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide",""],["YPE","4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate","C24 H19 O5 P","O(P(O)(O)=O)CCC#Cc1ccc3c2c1ccc4c2c(cc3)ccc4C#CCCO;OCCC#Cc1ccc2ccc3ccc(C#CCCO[P](O)(O)=O)c4ccc1c2c34;c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O","InChI=1S/C24H19O5P/c25-15-3-1-5-17-7-9-19-11-12-20-10-8-18(6-2-4-16-29-30(26,27)28)22-14-13-21(17)23(19)24(20)22/h7-14,25H,3-4,15-16H2,(H2,26,27,28)","","2016-01-18","2016-08-12","4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate","2016-08-17"],["GH0","2-azanylethyl hydrogen sulfate","C2 H7 N O4 S","NCCO[S](O)(=O)=O;C(COS(=O)(=O)O)N","InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)","","2022-02-02","2023-08-11","2-azanylethyl hydrogen sulfate","2023-08-16"],["YPF","4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate","C22 H19 O5 P","OCCC#Cc1ccc2ccc3ccc(cc3c2c1)C#CCCO[P](O)(O)=O;c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O","InChI=1S/C22H19O5P/c23-13-3-1-5-17-7-9-19-11-12-20-10-8-18(16-22(20)21(19)15-17)6-2-4-14-27-28(24,25)26/h7-12,15-16,23H,3-4,13-14H2,(H2,24,25,26)","","2016-07-22","2016-08-12","4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate","2016-08-17"],["YPG","[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y\nl]-3-oxidanylidene-propyl]phosphonic acid","C14 H22 N6 O10 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3OC[CH](O)[P](O)(O)=O)C(=O)CC[P](O)(O)=O;c1nc2c(n1C3CN(CC3OCC(O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1","[3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine","2016-01-12","2020-06-17","[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-yl]-3-oxidanylidene-propyl]phosphonic acid","2017-01-18"],["GH1","(5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione","C19 H17 N O5 S","c1(ccc(cc1)CC2C(NC(=O)S2)=O)OCC(c3cccc(OC)c3)=O;COc1cccc(c1)C(=O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2;COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3","InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)/t17-/m0/s1","","2018-05-21","2019-05-17","(5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione","2019-05-22"],["YPH","1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea","C34 H36 N6 O4","O=C(Nc1ccccc1)Nc2ccc(cc2)CCNc3ncnc4oc(cc34)c6ccc(OCCN5CCC(O)CC5)cc6;OC1CCN(CCOc2ccc(cc2)c3oc4ncnc(NCCc5ccc(NC(=O)Nc6ccccc6)cc5)c4c3)CC1;c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O","InChI=1S/C34H36N6O4/c41-28-15-18-40(19-16-28)20-21-43-29-12-8-25(9-13-29)31-22-30-32(36-23-37-33(30)44-31)35-17-14-24-6-10-27(11-7-24)39-34(42)38-26-4-2-1-3-5-26/h1-13,22-23,28,41H,14-21H2,(H,35,36,37)(H2,38,39,42)","","2013-02-26","2013-05-31","1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea","2013-06-05"],["GH2","ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate","C17 H17 F3 N2 O3 S","CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F;CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24)","","2018-09-17","2018-12-21","ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate","2018-12-26"],["GH3","3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]3O;c1nc2c(n1C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1","","2002-10-24","2011-06-04","3'-deoxyguanosine 5'-(tetrahydrogen triphosphate)",""],["YPI","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]methanone","C27 H23 F3 N6 O3","FC(F)(F)COc1nc(cc2ccccc21)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)COc1nc(cc2ccccc12)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;c1ccc2c(c1)cc(nc2OCC(F)(F)F)C(=O)N3CC4C5CN(CC5C4C3)C(=O)c6ccc7c(c6)nn[nH]7","InChI=1S/C27H23F3N6O3/c28-27(29,30)13-39-24-16-4-2-1-3-14(16)7-23(31-24)26(38)36-11-19-17-9-35(10-18(17)20(19)12-36)25(37)15-5-6-21-22(8-15)33-34-32-21/h1-8,17-20H,9-13H2,(H,32,33,34)","","2023-06-19","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]methanone","2024-12-18"],["YPK","[(3S)-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate","C26 H41 N7 O3","CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[CH]4CCN(C4)C(=O)CCCN(C)C)cc(C)nc12;Cc1cc(n2c(n1)c(cn2)C(C)C)NC3CCN(CC3)C(=O)OC4CCN(C4)C(=O)CCCN(C)C","InChI=1S/C26H41N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h15-16,18,20-21,29H,6-14,17H2,1-5H3/t21-/m0/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2023-12-08","2024-09-27","[(3~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate","2024-05-29"],["GH4","4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile","C21 H19 F N4 O3","Fc1cnc(C=N)nc1N(CCOc2ccccc2)Cc3ccc4OCOc4c3;c1ccc(cc1)OCCN(Cc2ccc3c(c2)OCO3)c4c(cnc(n4)C=N)F","InChI=1S/C21H19FN4O3/c22-17-12-24-20(11-23)25-21(17)26(8-9-27-16-4-2-1-3-5-16)13-15-6-7-18-19(10-15)29-14-28-18/h1-7,10-12,23H,8-9,13-14H2/b23-11+","","2016-12-21","2024-09-27","~{N}-(1,3-benzodioxol-5-ylmethyl)-5-fluoranyl-2-(iminomethyl)-~{N}-(2-phenoxyethyl)pyrimidin-4-amine","2017-03-22"],["GH5","4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one","C17 H18 F3 N3 O2","FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3;c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F","InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2","","2018-09-17","2018-12-21","4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one","2018-12-26"],["YPL","5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide","C18 H16 Br N3 O2","Cn1cc(cn1)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1;Cn1cc(cn1)c2cccc(CNC(=O)c3cc(Br)ccc3O)c2;Cn1cc(cn1)c2cccc(c2)CNC(=O)c3cc(ccc3O)Br","InChI=1S/C18H16BrN3O2/c1-22-11-14(10-21-22)13-4-2-3-12(7-13)9-20-18(24)16-8-15(19)5-6-17(16)23/h2-8,10-11,23H,9H2,1H3,(H,20,24)","","2023-02-15","2024-02-16","5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide","2024-02-21"],["GH6","2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid","C19 H14 Cl2 N2 O3","OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl;c1ccc(cc1)COc2ccc(c(c2Cl)Nc3c(cccn3)C(=O)O)Cl","InChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25)","","2022-05-08","2023-06-30","2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid","2023-07-05"],["YPM","(1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide","C29 H36 N2 O","O=C(NC1CCC(N)CC1)C12CC3CC(CC(C3)(C1)c1ccccc1)(C2)c1ccccc1;N[CH]1CC[CH](CC1)NC(=O)C23CC4C[C](C2)(C[C](C4)(C3)c5ccccc5)c6ccccc6;c1ccc(cc1)C23CC4CC(C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6","InChI=1S/C29H36N2O/c30-24-11-13-25(14-12-24)31-26(32)29-17-21-15-27(19-29,22-7-3-1-4-8-22)18-28(16-21,20-29)23-9-5-2-6-10-23/h1-10,21,24-25H,11-20,30H2,(H,31,32)/t21-,24-,25-,27-,28+,29-","","2021-03-19","2021-11-19","(1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide","2021-11-24"],["GH7","(3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid","C6 H9 N O4","N1C(C2C(O1)OCC2)C(O)=O;OC(=O)[CH]1NO[CH]2OCC[CH]12;C1COC2C1C(NO2)C(=O)O","InChI=1S/C6H9NO4/c8-5(9)4-3-1-2-10-6(3)11-7-4/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+,6+/m1/s1","","2018-05-21","2018-07-20","(3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid","2018-07-25"],["YPN","2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL","C7 H8 Cl N O S","OCCSc1ccc(Cl)cn1;c1cc(ncc1Cl)SCCO","InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2","","2015-03-02","2015-05-08","2-(5-chloranylpyridin-2-yl)sulfanylethanol","2015-05-13"],["GH8","4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide","C30 H32 N2 O3","CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5;CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5","InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34)","","2018-09-17","2018-12-21","4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide","2018-12-26"],["YPO","N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide","C18 H17 F3 N2 O2","O=C(C)Nc1ccc(cc1N)C(=O)CCc1ccc(cc1)C(F)(F)F;CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F;CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F","InChI=1S/C18H17F3N2O2/c1-11(24)23-16-8-5-13(10-15(16)22)17(25)9-4-12-2-6-14(7-3-12)18(19,20)21/h2-3,5-8,10H,4,9,22H2,1H3,(H,23,24)","","2023-06-19","2024-12-13","N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide","2024-12-18"],["GH9","(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane","C10 H16 O","CC12CCC(CC2O1)C(=C)C;CC(=C)[CH]1CC[C]2(C)O[CH]2C1;CC(=C)C1CCC2(C(C1)O2)C","InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1","+(-)-limonene oxide","2021-12-21","2023-01-20","(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane","2023-01-25"],["YPP","Hydrolyzed piperacillin","C23 H29 N5 O8 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3;CCN1CCN(C(=O)N[CH](C(=O)N[CH]([CH]2N[CH](C(O)=O)C(C)(C)S2)C(O)=O)c3ccccc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)NC(C3NC(C(S3)(C)C)C(=O)O)C(=O)O","InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17-/m1/s1","(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2011-01-06","2024-09-27","(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["GHA","1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT","C9 H18 N O9 S","[O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO;OC[CH](O[S]([O-])([O-])[O-])[CH](O)CN1C[CH](O)[CH](O)[CH]1CO;C1C(C(C(N1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O","InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1","GHAVAMIOL","2004-06-22","2021-03-01","({[(1S,2R)-3-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide",""],["YPQ","4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one","C12 H14 F6 N2 O2","FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)C(F)(F)F;C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F","InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2","","2023-12-08","2025-10-24","4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one","2025-10-29"],["YPR","(4R)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-proline","C21 H20 N2 O4","O=C(O)C4NCC(Oc1cc(nc2c1ccc(OC)c2)c3ccccc3)C4;COc1ccc2c(O[CH]3CN[CH](C3)C(O)=O)cc(nc2c1)c4ccccc4;COc1ccc2c(c1)nc(cc2OC3CC(NC3)C(=O)O)c4ccccc4","InChI=1S/C21H20N2O4/c1-26-14-7-8-16-18(9-14)23-17(13-5-3-2-4-6-13)11-20(16)27-15-10-19(21(24)25)22-12-15/h2-9,11,15,19,22H,10,12H2,1H3,(H,24,25)/t15-,19+/m1/s1","","2013-05-09","2014-03-21","(4R)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-proline","2014-03-26"],["GHB","4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C16 H19 F3 N4 O","CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F;CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C16H19F3N4O/c1-11(2)9-13-10-23(22-21-13)14-5-3-12(4-6-14)15(24)20-8-7-16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,24)","","2018-09-17","2018-12-21","4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["GHC","N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid","C20 H20 N4 O6 S2","O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c12)N)CC)cc3)CCC(=O)O;CCc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/m0/s1","","2009-03-04","2011-06-04","N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid",""],["YPS","(1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide","C26 H38 N2 O2","O=C(NC1CCC(N)CC1)C12CC3CC(CC(COCC)(C3)C1)(C2)c1ccccc1;CCOC[C]12C[CH]3C[C](C1)(C[C](C3)(C2)c4ccccc4)C(=O)N[CH]5CC[CH](N)CC5;CCOCC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5","InChI=1S/C26H38N2O2/c1-2-30-18-24-12-19-13-25(15-24,20-6-4-3-5-7-20)17-26(14-19,16-24)23(29)28-22-10-8-21(27)9-11-22/h3-7,19,21-22H,2,8-18,27H2,1H3,(H,28,29)/t19-,21-,22-,24-,25+,26-/m0/s1","","2021-03-19","2021-11-19","(1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide","2021-11-24"],["GHD","(2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid","C23 H39 N O19","CC(=O)N[CH]1[CH](O)C[C](OC[CH]2O[CH](O[CH]([CH](O)CO)[CH](O)[CH](O)C=O)[CH](O)[CH](O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O","InChI=1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13-,14+,15+,16-,17-,18+,19-,20-,21-,23+/m0/s1","","2022-02-02","2022-12-02","(2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid","2022-12-07"],["YPT","cis-diamino(diiodo)platinum","H4 I2 N2 Pt","[I-][Pt+2]([I-])(N)N;[I-]|[Pt++](|[I-])(N)N;N[Pt+2](N)([I-])[I-]","InChI=1S/2HI.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2","","2013-09-18","2014-05-30","diamino(diiodo)platinum","2014-06-04"],["YPU","5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide","C18 H15 Br F N3 O2","Cn1cc(cn1)c1cc(CNC(=O)c2cc(Br)ccc2O)c(F)cc1;Cn1cc(cn1)c2ccc(F)c(CNC(=O)c3cc(Br)ccc3O)c2;Cn1cc(cn1)c2ccc(c(c2)CNC(=O)c3cc(ccc3O)Br)F","InChI=1S/C18H15BrFN3O2/c1-23-10-13(9-22-23)11-2-4-16(20)12(6-11)8-21-18(25)15-7-14(19)3-5-17(15)24/h2-7,9-10,24H,8H2,1H3,(H,21,25)","","2023-02-15","2024-02-16","5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide","2024-02-21"],["GHE","(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid","C16 H24 N2 O6","O=C(N1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2;OC(=O)[CH]1CCCN1C(=O)CCCCC(=O)N2CCC[CH]2C(O)=O;C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C(=O)O","InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1","","2012-05-29","2014-09-05","(2R,2'R)-1,1'-(1,6-dioxohexane-1,6-diyl)dipyrrolidine-2-carboxylic acid (non-preferred name)","2013-06-19"],["YPV","5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid","C17 H19 N O5 S","Oc1ccc(cc1C(=O)O)S(=O)(=O)Nc1ccc(CCCC)cc1;CCCCc1ccc(N[S](=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1;CCCCc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)C(=O)O)O","InChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21)","","2021-03-19","2022-09-16","5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid","2022-09-21"],["GHF","N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide","C26 H25 F N4 O4","COc1ccn2c(cc(C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)[CH](C)O)c2c1)C(C)=O;CC(c1cc(c(c(c1)NC(=O)c2cc(n3c2cc(cc3)OC)C(=O)C)F)c4cnn(c4)C5CC5)O","InChI=1S/C26H25FN4O4/c1-14(32)16-8-20(17-12-28-31(13-17)18-4-5-18)25(27)22(9-16)29-26(34)21-11-23(15(2)33)30-7-6-19(35-3)10-24(21)30/h6-14,18,32H,4-5H2,1-3H3,(H,29,34)/t14-/m0/s1","","2022-05-09","2022-07-01","~{N}-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1~{S})-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide","2022-07-06"],["YPW","2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide","C20 H20 F N5 O3","Fc1cc(c(C(=O)NC)cc1)C(Oc3nc(c2cccnc2OC)cnc3N)C;CNC(=O)c1ccc(F)cc1[CH](C)Oc2nc(cnc2N)c3cccnc3OC;CC(c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N","InChI=1S/C20H20FN5O3/c1-11(15-9-12(21)6-7-13(15)18(27)23-2)29-20-17(22)25-10-16(26-20)14-5-4-8-24-19(14)28-3/h4-11H,1-3H3,(H2,22,25)(H,23,27)/t11-/m1/s1","","2014-01-16","2014-05-23","2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide","2014-05-28"],["GHG","(2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)","C5 H10 N2 O4","O=C(N)C(O)CC(C(=O)O)N;N[CH](C[CH](O)C(N)=O)C(O)=O;C(C(C(=O)O)N)C(C(=O)N)O","InChI=1S/C5H10N2O4/c6-2(5(10)11)1-3(8)4(7)9/h2-3,8H,1,6H2,(H2,7,9)(H,10,11)/t2-,3-/m0/s1","","2004-01-20","2024-09-27","(2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)",""],["YPZ","3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine","C15 H15 N3 O4","O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N;N[CH](CC1=CC(=NNc2ccccc2)C(=CC1=O)O)C(O)=O;c1ccc(cc1)NN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N","InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1","","2013-04-12","2024-09-27","3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine","2013-04-24"],["GHI","(1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane","C10 H16 O","CC12CCC(CC2O1)C(=C)C;CC(=C)[CH]1CC[C]2(C)O[CH]2C1;CC(=C)C1CCC2(C(C1)O2)C","InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1","-(-) limonene oxide","2021-12-21","2023-01-20","(1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane","2023-01-25"],["YQ0","1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-4-fluoropiperidine-4-sulfonamide","C27 H36 F N5 O6 S","NS(=O)(=O)C1(F)CCN(CC1)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;N[S](=O)(=O)C1(F)CCN(CC1)C(=O)N2CC3=C(C2)CN(C3)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CN(C5)C(=O)N6CCC(CC6)(F)S(=O)(=O)N","InChI=1S/C27H36FN5O6S/c28-27(40(29,36)37)5-7-31(8-6-27)26(35)33-15-21-13-32(14-22(21)16-33)25(34)20-11-23(19-1-2-19)30-24(12-20)39-17-18-3-9-38-10-4-18/h11-12,18-19H,1-10,13-17H2,(H2,29,36,37)","","2023-06-19","2024-12-13","1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-4-fluoropiperidine-4-sulfonamide","2024-12-18"],["GHJ","(3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide","C29 H53 N5 O7 S","N1C(C2C(O1)OCC2)C(=O)NC(CSC)C(=O)NC(CC(C)C)C(CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)O;CSC[CH](NC(=O)[CH]1NO[CH]2OCC[CH]12)C(=O)N[CH](CC(C)C)[CH](O)C[CH](C)C(=O)N[CH](C(C)C)C(=O)NCC(C)C;CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)C)O)NC(=O)C(CSC)NC(=O)C1C2CCOC2ON1","InChI=1S/C29H53N5O7S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-42-8)32-28(39)24-19-9-10-40-29(19)41-34-24/h15-24,29,34-35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19-,20+,21+,22+,23+,24-,29+/m1/s1","","2018-05-22","2018-07-20","(3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide","2018-07-25"],["GHK","4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide","C15 H14 N2 O4 S2","N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N","InChI=1S/C15H14N2O4S2/c16-22(18,19)14-10-8-13(9-11-14)5-4-12-17-23(20,21)15-6-2-1-3-7-15/h1-3,6-11,17H,12H2,(H2,16,18,19)","","2018-09-17","2018-12-21","4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide","2018-12-26"],["YQ1","1-(tripentyl-$l^{4}-azanyl)pentane","C20 H44 N","CCCCC[N](CCCCC)(CCCCC)CCCCC;CCCCC[N](CCCCC)(CCCCC)CCCCC","InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3","","2021-03-22","2022-09-16","1-(tripentyl-$l^{4}-azanyl)pentane","2022-09-21"],["YQ2","2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid","C23 H27 N4 O3","O=C(O)c1ccccc1NC(C)c1cc(C)c[n+]2c1N=C(CC2=O)N1CCCCC1;C[CH](Nc1ccccc1C(O)=O)c2cc(C)c[n+]3C(=O)CC(=Nc23)N4CCCCC4;Cc1cc(c2[n+](c1)C(=O)CC(=N2)N3CCCCC3)C(C)Nc4ccccc4C(=O)O","InChI=1S/C23H26N4O3/c1-15-12-18(16(2)24-19-9-5-4-8-17(19)23(29)30)22-25-20(13-21(28)27(22)14-15)26-10-6-3-7-11-26/h4-5,8-9,12,14,16,24H,3,6-7,10-11,13H2,1-2H3/p+1/t16-/m1/s1","","2023-12-08","2024-03-15","9-[(1R)-1-(2-carboxyanilino)ethyl]-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium","2024-03-20"],["GHL","(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide","C22 H33 N5 O2 S","CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCC(C)(C)C;CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCC(C)(C)C)C)C(=O)C","InChI=1S/C22H33N5O2S/c1-7-15-18(14(3)28)13(2)25-19(15)16-11-30-21(26-16)27-9-8-23-10-17(27)20(29)24-12-22(4,5)6/h11,17,23,25H,7-10,12H2,1-6H3,(H,24,29)/t17-/m1/s1","","2022-02-03","2022-09-23","(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide","2022-09-28"],["GHM","benzene-1,2,4-tricarboxylic acid","C9 H6 O6","c1cc(cc(c1C(O)=O)C(O)=O)C(O)=O;OC(=O)c1ccc(C(O)=O)c(c1)C(O)=O;c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O","InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)","","2018-05-22","2019-05-24","benzene-1,2,4-tricarboxylic acid","2019-05-29"],["YQ3","(5M)-5-(2-chloro-4-methylphenyl)-1-[(pyridin-4-yl)methyl]-1H-benzimidazole-7-carboxylic acid","C21 H16 Cl N3 O2","Cc1ccc(c2cc3ncn(Cc4ccncc4)c3c(c2)C(=O)O)c(Cl)c1;Cc1ccc(c(Cl)c1)c2cc3ncn(Cc4ccncc4)c3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)ncn3Cc4ccncc4)C(=O)O","InChI=1S/C21H16ClN3O2/c1-13-2-3-16(18(22)8-13)15-9-17(21(26)27)20-19(10-15)24-12-25(20)11-14-4-6-23-7-5-14/h2-10,12H,11H2,1H3,(H,26,27)","","2023-02-15","2024-02-16","(5M)-5-(2-chloro-4-methylphenyl)-1-[(pyridin-4-yl)methyl]-1H-benzimidazole-7-carboxylic acid","2024-02-21"],["YQ4","(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol","C26 H40 N O","CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[CH](O)c2ccccc2;CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)C(c2ccccc2)O","InChI=1S/C26H40NO/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24/h10-18,26,28H,4-9,19-22H2,1-3H3/t26-/m1/s1","","2021-03-22","2022-09-16","(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol","2022-09-21"],["GHN","ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate","C16 H17 F3 N2 O4 S2","CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F;CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F","InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3","","2018-09-17","2018-12-21","ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate","2018-12-26"],["GHO","(1R)-1-hydroxyethane-1-sulfonic acid","C2 H6 O4 S","CC(O)S(=O)(=O)O;C[CH](O)[S](O)(=O)=O;CC(O)S(=O)(=O)O","InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1","","2023-07-20","2024-06-28","(1R)-1-hydroxyethane-1-sulfonic acid","2024-07-03"],["YQ5","5-fluoro-6-[5-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide","C25 H24 F4 N8 O4 S","NS(=O)(=O)c1cc(F)c(nc1)C(=O)N1CC=2CN(CC=2C1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CC4=C(C3)CN(C4)C(=O)c5ncc(cc5F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CC4=C(C3)CN(C4)C(=O)c5c(cc(cn5)S(=O)(=O)N)F)C(F)(F)F","InChI=1S/C25H24F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8H,3,5,9-13H2,1H3,(H2,30,40,41)","","2023-06-19","2024-12-13","5-fluoro-6-[5-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide","2024-12-18"],["YQ7","(4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one","C16 H12 Cl N5 O","Cc1cnccc1c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl;Cc1nn2C(=O)Nc3cc(Cl)c(cc3c2n1)c4ccncc4C;Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C","InChI=1S/C16H12ClN5O/c1-8-7-18-4-3-10(8)11-5-12-14(6-13(11)17)20-16(23)22-15(12)19-9(2)21-22/h3-7H,1-2H3,(H,20,23)","","2021-03-22","2021-10-08","(4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one","2021-10-13"],["GHP","(2R)-amino(4-hydroxyphenyl)ethanoic acid","C8 H9 N O3","O=C(O)C(N)c1ccc(O)cc1;N[CH](C(O)=O)c1ccc(O)cc1;c1cc(ccc1C(C(=O)O)N)O","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1","","1999-07-08","2024-09-27","(2R)-amino(4-hydroxyphenyl)ethanoic acid",""],["YQ8","4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline","C19 H16 Cl N3 O2","Clc1ccc(cc1)N1C(C)=Cc2c(OC)c(cc3ncnc1c32)OC;COc1cc2ncnc3N(C(=Cc(c1OC)c23)C)c4ccc(Cl)cc4;CC1=Cc2c3c(cc(c2OC)OC)ncnc3N1c4ccc(cc4)Cl","InChI=1S/C19H16ClN3O2/c1-11-8-14-17-15(9-16(24-2)18(14)25-3)21-10-22-19(17)23(11)13-6-4-12(20)5-7-13/h4-10H,1-3H3","","2023-02-15","2024-02-16","4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline","2024-02-21"],["GHQ","~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C10 H10 F3 N O","FC(F)(F)CCNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCCC(F)(F)F","InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)","","2018-09-17","2018-12-21","~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["GHR","[[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] N-(4-chlorophenyl)carbamate","C13 H16 Cl N3 O6","OC[CH]1NC(=NOC(=O)Nc2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1NC(=O)ON=C2C(C(C(C(N2)CO)O)O)O)Cl","InChI=1S/C13H16ClN3O6/c14-6-1-3-7(4-2-6)15-13(22)23-17-12-11(21)10(20)9(19)8(5-18)16-12/h1-4,8-11,18-21H,5H2,(H,15,22)(H,16,17)/t8-,9-,10+,11-/m1/s1","","2008-05-21","2011-06-04","[[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] N-(4-chlorophenyl)carbamate",""],["YQ9","[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone","C26 H25 F3 N6 O3","FC(F)(F)COc1ncc(cc1C1CC1)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)COc1ncc(cc1C2CC2)C(=O)N3C[CH]4[CH]5CN(C[CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6;c1cc2c(cc1C(=O)N3CC4C(C3)C5C4CN(C5)C(=O)c6cc(c(nc6)OCC(F)(F)F)C7CC7)nn[nH]2","InChI=1S/C26H25F3N6O3/c27-26(28,29)12-38-23-16(13-1-2-13)5-15(7-30-23)25(37)35-10-19-17-8-34(9-18(17)20(19)11-35)24(36)14-3-4-21-22(6-14)32-33-31-21/h3-7,13,17-20H,1-2,8-12H2,(H,31,32,33)","","2023-06-19","2024-12-13","[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone","2024-12-18"],["YQA","5-hydroxy,-4,5-dihydroquinolinate","C7 H7 N O5","O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O;C1C(C=NC(=C1C(=O)O)C(=O)O)O","InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1","","2017-11-29","2018-04-20","(3~{R})-3-oxidanyl-3,4-dihydropyridine-5,6-dicarboxylic acid","2018-04-25"],["GHS","6-carbamimidamidohexanoic acid","C7 H15 N3 O2","O=C(O)CCCCCNC(=[N@H])N;NC(=N)NCCCCCC(O)=O;C(CCC(=O)O)CCNC(=N)N","InChI=1S/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10)","","2012-03-06","2024-09-27","6-carbamimidamidohexanoic acid",""],["YQB","(3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium","C24 H25 N5 O3","O=C(O)c1ccccc1NC(C)C1=CC(C)=CN2C1=NC(=C(C#N)C2=O)N1CCCCC1;C[CH](Nc1ccccc1C(O)=O)C2=CC(=CN3C(=O)C(=C(N=C23)N4CCCCC4)C#N)C;CC1=CN2C(=NC(=C(C2=O)C#N)N3CCCCC3)C(=C1)C(C)Nc4ccccc4C(=O)O","InChI=1S/C24H25N5O3/c1-15-12-18(16(2)26-20-9-5-4-8-17(20)24(31)32)22-27-21(28-10-6-3-7-11-28)19(13-25)23(30)29(22)14-15/h4-5,8-9,12,14,16,26H,3,6-7,10-11H2,1-2H3,(H,31,32)/t16-/m1/s1","","2023-12-08","2024-03-15","2-({(1R)-1-[(5S)-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid","2024-03-20"],["GHT","Boldine","C19 H19 N O4","COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34;CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O","InChI=1S/C19H19NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h6-9,21-22H,4-5H2,1-3H3","","2018-09-17","2019-08-02","4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol","2019-08-07"],["YQC","(8S)-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)-5-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C24 H22 Cl N7 O","Cn1ccc(n1)c1cc(CNc2nc3NC(=CC(=O)n3n2)CCc2ccccc2)c(Cl)cc1;Cn1ccc(n1)c2ccc(Cl)c(CNc3nn4C(=O)C=C(CCc5ccccc5)Nc4n3)c2;Cn1ccc(n1)c2ccc(c(c2)CNc3nc4n(n3)C(=O)C=C(N4)CCc5ccccc5)Cl","InChI=1S/C24H22ClN7O/c1-31-12-11-21(29-31)17-8-10-20(25)18(13-17)15-26-23-28-24-27-19(14-22(33)32(24)30-23)9-7-16-5-3-2-4-6-16/h2-6,8,10-14H,7,9,15H2,1H3,(H2,26,27,28,30)","","2023-02-15","2024-02-16","(8S)-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)-5-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["GHU","ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate","C20 H28 N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC;CCOC(=O)CCc1ccccc1OCCCOc2c(N)nc(N)nc2CC;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC","InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24)","","2021-12-21","2022-02-04","ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate","2022-02-09"],["GHV","(2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide","C27 H34 N4 O4","CN(C)c1ccc(C=CC(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1;CN(C)c1ccc(cc1)C=CC(=O)NC(Cc2ccccc2)C(=O)NC(CC3CCNC3=O)CO","InChI=1S/C27H34N4O4/c1-31(2)23-11-8-19(9-12-23)10-13-25(33)30-24(16-20-6-4-3-5-7-20)27(35)29-22(18-32)17-21-14-15-28-26(21)34/h3-13,21-22,24,32H,14-18H2,1-2H3,(H,28,34)(H,29,35)(H,30,33)/b13-10+/t21-,22-,24-/m0/s1","","2012-08-13","2024-09-27","(2~{S})-2-[[(~{E})-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide","2016-06-01"],["YQD","N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide","C18 H16 Cl N5 O3 S","CS(=O)(=O)Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl;Cc1nn2C(=O)Nc3cc(Cl)c(cc3c2n1)c4ccc(N[S](C)(=O)=O)cc4C;Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C","InChI=1S/C18H16ClN5O3S/c1-9-6-11(23-28(3,26)27)4-5-12(9)13-7-14-16(8-15(13)19)21-18(25)24-17(14)20-10(2)22-24/h4-8,23H,1-3H3,(H,21,25)","","2021-03-22","2021-10-08","N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide","2021-10-13"],["GHW","N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid","C19 H18 N4 O6 S2","O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c12)N)C)cc3)CCC(=O)O;Cc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/m0/s1","","2009-03-05","2011-06-04","N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid",""],["YQF","4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one","C15 H17 F4 N O","Fc1ccc(cc1)C2CCN(CC2)C(=O)CCC(F)(F)F;c1cc(ccc1C2CCN(CC2)C(=O)CCC(F)(F)F)F","InChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2","","2023-12-09","2024-04-05","4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one","2024-04-10"],["YQG","N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide","C20 H16 Cl N7 O3 S","O=S(=O)(Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl)c1ncc[NH]1;Cc1nn2C(=O)Nc3cc(Cl)c(cc3c2n1)c4ccc(N[S](=O)(=O)c5[nH]ccn5)cc4C;Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5","InChI=1S/C20H16ClN7O3S/c1-10-7-12(27-32(30,31)19-22-5-6-23-19)3-4-13(10)14-8-15-17(9-16(14)21)25-20(29)28-18(15)24-11(2)26-28/h3-9,27H,1-2H3,(H,22,23)(H,25,29)","","2021-03-22","2021-10-08","N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide","2021-10-13"],["GHX","(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate","C24 H29 N3 O5","OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3;c1ccc(cc1)CC(C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3","InChI=1S/C24H29N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,28H,11-16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1","","2012-08-13","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate","2016-06-01"],["GHY","propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate","C20 H29 N3 O5","CC(C)OC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)CO","InChI=1S/C20H29N3O5/c1-13(2)28-20(27)23-17(10-14-6-4-3-5-7-14)19(26)22-16(12-24)11-15-8-9-21-18(15)25/h3-7,13,15-17,24H,8-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t15-,16-,17-/m0/s1","","2012-08-15","2024-09-27","propan-2-yl ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate","2016-06-01"],["YQH","(2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide","C16 H13 N3 O4","Cc1oncc1C(/O)=C(C#N)C(=O)Nc1ccc(cc1)C(C)=O;CC(=O)c1ccc(NC(=O)C(C#N)=C(O)c2cnoc2C)cc1;Cc1c(cno1)C(=C(C#N)C(=O)Nc2ccc(cc2)C(=O)C)O","InChI=1S/C16H13N3O4/c1-9(20)11-3-5-12(6-4-11)19-16(22)13(7-17)15(21)14-8-18-23-10(14)2/h3-6,8,21H,1-2H3,(H,19,22)/b15-13-","","2023-02-15","2024-02-16","(2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide","2024-02-21"],["GHZ","2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate","C21 H31 N3 O5","CC(C)COC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)COC(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)CO","InChI=1S/C21H31N3O5/c1-14(2)13-29-21(28)24-18(10-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1","","2012-08-15","2024-09-27","2-methylpropyl ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate","2016-06-01"],["YQI","(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid","C8 H11 N3 O3","CC[CH](NC(=O)c1cc[nH]n1)C(O)=O;CCC(C(=O)O)NC(=O)c1cc[nH]n1","InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1","","2023-06-20","2024-01-05","(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid","2024-01-10"],["GI0","3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one","C21 H26 N6 O S","Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C;Cc1c[nH]nc1CN2CCN(CC2)c3nc(cs3)c4c5c(c([nH]4)C)C(=O)CCC5","InChI=1S/C21H26N6OS/c1-13-10-22-25-16(13)11-26-6-8-27(9-7-26)21-24-17(12-29-21)20-15-4-3-5-18(28)19(15)14(2)23-20/h10,12,23H,3-9,11H2,1-2H3,(H,22,25)","","2022-02-03","2022-09-23","3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one","2022-09-28"],["YQJ","N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine","C21 H34 N6 O2","CN(C)CCCNc1nc2cc(OC)c(OC)cc2c(n1)N1CCC(C1)N(C)C;COc1cc2nc(NCCCN(C)C)nc(N3CCC(C3)N(C)C)c2cc1OC;CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC","InChI=1S/C21H34N6O2/c1-25(2)10-7-9-22-21-23-17-13-19(29-6)18(28-5)12-16(17)20(24-21)27-11-8-15(14-27)26(3)4/h12-13,15H,7-11,14H2,1-6H3,(H,22,23,24)","","2021-03-22","2021-05-07","N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine","2021-05-12"],["GI1","METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE","C10 H17 N2 O6","OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO;CO[CH](O)c1[nH]c2[CH](O)[CH](O)[CH](O)[CH](CO)[n+]2c1;COC(c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O)O","InChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/p+1/t5-,6-,7+,8-,10+/m1/s1","","2006-10-06","2011-06-04","(5R,6R,7S,8S)-6,7,8-trihydroxy-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["YQK","(2~{E})-2-[(~{Z})-[2-methyl-3-oxidanyl-5-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-1~{H}-pyridin-4-ylidene]methyl]imino-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propanoic acid","C19 H20 N3 O9 P","O=P(O)(O)OCC/1=CNC(C)=C(O)C1=CN=C(/CC1(O)c2ccccc2NC1=O)C(=O)O;CC1=C(O)C(=CN=C(C[C]2(O)C(=O)Nc3ccccc23)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(CC2(c3ccccc3NC2=O)O)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,20,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b12-8-,21-15+/t19-/m0/s1","","2023-12-11","2023-12-15","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]propanoic acid","2023-12-20"],["YQL","(6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid","C20 H20 Cl N3 O3","O=C(O)c1cc(cc2[NH]c(CN3CCOCC3)nc12)c1ccc(C)cc1Cl;Cc1ccc(c(Cl)c1)c2cc3[nH]c(CN4CCOCC4)nc3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)[nH]c(n3)CN4CCOCC4)C(=O)O","InChI=1S/C20H20ClN3O3/c1-12-2-3-14(16(21)8-12)13-9-15(20(25)26)19-17(10-13)22-18(23-19)11-24-4-6-27-7-5-24/h2-3,8-10H,4-7,11H2,1H3,(H,22,23)(H,25,26)","","2023-02-15","2024-02-16","(6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid","2024-02-21"],["GI2","METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLE","C11 H17 N2 O6","O=C(OC)Cc1c[n+]2c(n1)C(O)C(O)C(O)C2CO;COC(=O)Cc1[nH]c2[CH](O)[CH](O)[CH](O)[CH](CO)[n+]2c1;COC(=O)Cc1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O","InChI=1S/C11H16N2O6/c1-19-7(15)2-5-3-13-6(4-14)8(16)9(17)10(18)11(13)12-5/h3,6,8-10,14,16-18H,2,4H2,1H3/p+1/t6-,8-,9+,10-/m1/s1","","2006-10-07","2011-06-04","(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["GI3","CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZOLE","C9 H13 N2 O6","O=C(O)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO;OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(c[n+]12)C(O)=O;c1c([nH]c2[n+]1C(C(C(C2O)O)O)CO)C(=O)O","InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(15)8-10-3(9(16)17)1-11(4)8/h1,4-7,12-15H,2H2,(H,16,17)/p+1/t4-,5-,6+,7-/m1/s1","","2006-10-07","2011-06-04","(5R,6R,7S,8S)-2-carboxy-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["YQM","Eravacycline","C27 H31 F N4 O8","O=C(Nc1cc(F)c2CC3CC4C(N(C)C)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C3=C(O)c2c1O)CN1CCCC1;CN(C)[CH]1[CH]2C[CH]3Cc4c(F)cc(NC(=O)CN5CCCC5)c(O)c4C(=C3C(=O)[C]2(O)C(=C(C(N)=O)C1=O)O)O;CN(C)C1C2CC3Cc4c(cc(c(c4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F","InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1","","2021-03-23","2021-05-14","(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[2-(pyrrolidin-1-yl)acetamido]-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide","2021-05-19"],["YQN","~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide","C28 H33 N5 O4","CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)[CH]4C=NC(=O)NC4=O;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC3)C(=O)C4C=NC(=O)NC4=O","InChI=1S/C28H33N5O4/c1-28(2,3)19-11-13-21(14-12-19)33(26(36)22-17-30-27(37)32-24(22)34)23(18-8-7-15-29-16-18)25(35)31-20-9-5-4-6-10-20/h7-8,11-17,20,22-23H,4-6,9-10H2,1-3H3,(H,31,35)(H,32,34,37)/t22-,23-/m0/s1","","2023-06-20","2024-01-26","~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide","2024-01-31"],["GI4","METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLE","C10 H15 N2 O6","O=C(O)Cc1c[n+]2c(n1)C(O)C(O)C(O)C2CO;OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(CC(O)=O)c[n+]12;c1c([nH]c2[n+]1C(C(C(C2O)O)O)CO)CC(=O)O","InChI=1S/C10H14N2O6/c13-3-5-7(16)8(17)9(18)10-11-4(1-6(14)15)2-12(5)10/h2,5,7-9,13,16-18H,1,3H2,(H,14,15)/p+1/t5-,7-,8+,9-/m1/s1","","2006-10-07","2011-06-04","(5R,6R,7S,8S)-2-(carboxymethyl)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["GI5","3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid","C24 H24 N2 O6","CC(=O)n1cc(C(=O)Nc2cc(CO[CH]3CCCCO3)cc(c2)C(O)=O)c4ccccc14;CC(=O)n1cc(c2c1cccc2)C(=O)Nc3cc(cc(c3)C(=O)O)COC4CCCCO4","InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)/t22-/m0/s1","","2022-05-10","2022-05-27","3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2~{S})-oxan-2-yl]oxymethyl]benzoic acid","2022-06-01"],["YQO","(5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","C13 H10 Cl2 N2 O3","Clc1ccc(c(Cl)c1)C2=NO[C]3(CCC(=O)NC3=O)C2;c1cc(c(cc1Cl)Cl)C2=NOC3(C2)CCC(=O)NC3=O","InChI=1S/C13H10Cl2N2O3/c14-7-1-2-8(9(15)5-7)10-6-13(20-17-10)4-3-11(18)16-12(13)19/h1-2,5H,3-4,6H2,(H,16,18,19)/t13-/m0/s1","","2023-12-11","2024-04-05","(5~{S})-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","2024-04-10"],["GI6","(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide","C19 H27 N5 O3","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(N)=O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C)C(N)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(C)C(=O)N","InChI=1S/C19H27N5O3/c1-3-14-16(17(20)24-19(22)23-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(21)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,25)(H4,20,22,23,24)/t12-/m1/s1","","2021-12-21","2022-02-04","(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide","2022-02-09"],["YQP","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid","C14 H21 N3 O7 S","O=C(O)C(N)CCS(=C)CC1OC(N2C=CC(=O)NC2=O)C(O)C1O;N[CH](CC[S](=C)C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)C(O)=O;C=S(CCC(C(=O)O)N)CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O","InChI=1S/C14H21N3O7S/c1-25(5-3-7(15)13(21)22)6-8-10(19)11(20)12(24-8)17-4-2-9(18)16-14(17)23/h2,4,7-8,10-12,19-20H,1,3,5-6,15H2,(H,21,22)(H,16,18,23)/t7-,8+,10+,11+,12+,25-/m0/s1","","2021-03-23","2022-02-25","5'-{[(3S)-3-amino-3-carboxypropyl](methylidene)-lambda~4~-sulfanyl}-5'-deoxyuridine","2022-03-02"],["YQQ","(2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid","C19 H16 Br N3 O4 S","Brc1cc(c(O)cc1)C(=O)NCc1cc(ccc1)Nc1nc(cs1)CC(=O)O;OC(=O)Cc1csc(Nc2cccc(CNC(=O)c3cc(Br)ccc3O)c2)n1;c1cc(cc(c1)Nc2nc(cs2)CC(=O)O)CNC(=O)c3cc(ccc3O)Br","InChI=1S/C19H16BrN3O4S/c20-12-4-5-16(24)15(7-12)18(27)21-9-11-2-1-3-13(6-11)22-19-23-14(10-28-19)8-17(25)26/h1-7,10,24H,8-9H2,(H,21,27)(H,22,23)(H,25,26)","","2023-02-15","2024-02-16","(2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid","2024-02-21"],["GI7","1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine","C13 H19 N5 O","CC(=O)N1CCN(CC1)c2ccc(NC(N)=N)cc2;CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=N)N","InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16)","","2022-02-03","2022-09-23","1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine","2022-09-28"],["YQR","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","C22 H25 N5 O4","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cnn(C)c5;CC(c1cccc2c1[nH]c(c2c3cnn(c3)C)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C22H25N5O4/c1-12(27-11-22(31-21(27)30)6-13(7-22)8-23)15-4-3-5-16-17(14-9-24-26(2)10-14)19(20(28)29)25-18(15)16/h3-5,9-10,12-13,25H,6-8,11,23H2,1-2H3,(H,28,29)/t12-,13-,22-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GI8","(4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","C24 H23 N5 O2 S","COCc1sc(cc1)c2cc(cc(c2)[C]3(C(C)C)C(=C(N)Oc4n[nH]c(C)c34)C#N)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N","InChI=1S/C24H23N5O2S/c1-13(2)24(19(11-26)22(27)31-23-21(24)14(3)28-29-23)17-8-15(10-25)7-16(9-17)20-6-5-18(32-20)12-30-4/h5-9,13H,12,27H2,1-4H3,(H,28,29)/t24-/m0/s1","","2016-09-14","2017-07-07","(4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2017-07-12"],["GI9","tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate","C35 H47 N7 O5","C[CH]([CH](NC(=O)N1CCC(CC1)N2C(=O)Nc3ccccc23)C(=O)N[CH](CCCCN)C(=O)OC(C)(C)C)c4c[nH]c5ccccc45;CC(c1c[nH]c2c1cccc2)C(C(=O)NC(CCCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)N4c5ccccc5NC4=O","InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1","L-054,52","2022-05-10","2022-07-29","~{tert}-butyl (2~{S})-6-azanyl-2-[[(2~{R},3~{S})-3-(1~{H}-indol-3-yl)-2-[[4-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate","2022-08-03"],["YQS","[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate","C10 H17 N2 O13 P3 S","CC1=CN([CH]2C[CH](O)[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O","InChI=1S/C10H17N2O13P3S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-28(21,29)25-27(19,20)24-26(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,29)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+,28-/m0/s1","","2021-03-23","2022-07-01","[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate","2022-07-06"],["GIA","3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine","C20 H16 F N O3","Fc1cc(ccc1)CC(C(=O)O)NC(=O)c3cc2ccccc2cc3;OC(=O)[CH](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2;c1ccc2cc(ccc2c1)C(=O)NC(Cc3cccc(c3)F)C(=O)O","InChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1","","2009-07-07","2011-06-04","3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine",""],["YQT","3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline","C16 H11 N3","[nH]1cc(c2ccncc2)c3cc4ccncc4cc13;c1cnccc1c2c[nH]c3c2cc4ccncc4c3","InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H","","2023-12-11","2024-03-01","3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline","2024-03-06"],["GIC","N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine","C14 H17 N3 O3","O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN;NCCN(CC(O)=O)C(=O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O","InChI=1S/C14H17N3O3/c15-5-6-17(9-14(19)20)13(18)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9,15H2,(H,19,20)","","2010-10-14","2024-09-27","N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine",""],["YQU","(5M)-5-(2-chloro-4-methylphenyl)-1-(2-phenylethyl)-1H-benzimidazole-7-carboxylic acid","C23 H19 Cl N2 O2","Cc1ccc(c2cc3ncn(CCc4ccccc4)c3c(c2)C(=O)O)c(Cl)c1;Cc1ccc(c(Cl)c1)c2cc3ncn(CCc4ccccc4)c3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)ncn3CCc4ccccc4)C(=O)O","InChI=1S/C23H19ClN2O2/c1-15-7-8-18(20(24)11-15)17-12-19(23(27)28)22-21(13-17)25-14-26(22)10-9-16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3,(H,27,28)","","2023-02-15","2024-02-16","(5M)-5-(2-chloro-4-methylphenyl)-1-(2-phenylethyl)-1H-benzimidazole-7-carboxylic acid","2024-02-21"],["GID","5-nitro-1H-indole-2-carboxylic acid","C9 H6 N2 O4","O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O;OC(=O)c1[nH]c2ccc(cc2c1)[N](=O)=O;c1cc2c(cc1N(=O)=O)cc([nH]2)C(=O)O","InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)","","2022-01-14","2022-12-16","5-nitro-1H-indole-2-carboxylic acid","2022-12-21"],["YQV","methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate","C42 H59 F N6 O6 S","O=S(=O)(c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCC2)(c2cccc(F)c2)C2CCCC2NC(=O)OC)(OC)C1)N1CC2CC1CN2C(=O)CC;CCC(=O)N1C[CH]2C[CH]1CN2[S](=O)(=O)c3ccc(cc3)N4C[C](CN5CC[CH](CC5)[C](CN6CCC6)([CH]7CCC[CH]7NC(=O)OC)c8cccc(F)c8)(C4)OC;CCC(=O)N1CC2CC1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)C(CN6CCC6)(c7cccc(c7)F)C8CCCC8NC(=O)OC)OC","InChI=1S/C42H59FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h5,8-9,12-15,22,30,34-35,37-38H,4,6-7,10-11,16-21,23-29H2,1-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1","","2021-03-24","2024-09-27","methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate","2021-08-11"],["YQW","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid","C22 H23 N5 O5","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CC(=O)NN=C5;CC(c1cccc2c1[nH]c(c2C3=CC(=O)NN=C3)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C22H23N5O5/c1-11(27-10-22(32-21(27)31)6-12(7-22)8-23)14-3-2-4-15-17(13-5-16(28)26-24-9-13)19(20(29)30)25-18(14)15/h2-5,9,11-12,25H,6-8,10,23H2,1H3,(H,26,28)(H,29,30)/t11-,12-,22-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GIE","1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","C16 H22 N4 O S","CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3;CCc1c(c([nH]c1c2csc(n2)N3CCNCC3)C)C(=O)C","InChI=1S/C16H22N4OS/c1-4-12-14(11(3)21)10(2)18-15(12)13-9-22-16(19-13)20-7-5-17-6-8-20/h9,17-18H,4-8H2,1-3H3","","2022-02-03","2022-09-23","1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["GIF","D-galacto-isofagomine","C6 H13 N O3","OC1C(CO)CNCC1O;OC[CH]1CNC[CH](O)[CH]1O;C1C(C(C(CN1)O)O)CO","InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1","","2014-03-18","2014-08-15","(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol","2014-08-20"],["YQX","2-oxidanylideneoctanedioic acid","C8 H12 O5","OC(=O)CCCCCC(=O)C(O)=O;C(CCC(=O)C(=O)O)CCC(=O)O","InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)","","2023-12-11","2024-12-13","2-oxidanylideneoctanedioic acid","2024-12-18"],["YQY","[3-(AMINOMETHYL)-3-OXIDANYL-AZETIDIN-1-YL]-[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]METHANONE","C17 H15 F3 I N3 O2","O=C(c2ccc(F)c(F)c2Nc1ccc(I)cc1F)N3CC(O)(CN)C3;NCC1(O)CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O","InChI=1S/C17H15F3IN3O2/c18-11-3-2-10(16(25)24-7-17(26,6-22)8-24)15(14(11)20)23-13-4-1-9(21)5-12(13)19/h1-5,23,26H,6-8,22H2","","2012-03-16","2014-09-05","[3-(aminomethyl)-3-hydroxyazetidin-1-yl]{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}methanone","2012-12-14"],["GIG","METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE","C23 H17 F4 N5 O4","FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc4ccc(Oc3ccc2c(nc(n2)NC(=O)OC)c3)cc4;COC(=O)Nc1[nH]c2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2n1;COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F","InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)","","2007-01-10","2011-06-04","methyl {5-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-benzimidazol-2-yl}carbamate",""],["YQZ","(8R)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C21 H21 N5 O","O=C1C=C(Nc2nc(nn12)NCc1ccc(cc1)c1ccccc1)CCC;CCCC1=CC(=O)n2nc(NCc3ccc(cc3)c4ccccc4)nc2N1;CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)c4ccccc4)N1","InChI=1S/C21H21N5O/c1-2-6-18-13-19(27)26-21(23-18)24-20(25-26)22-14-15-9-11-17(12-10-15)16-7-4-3-5-8-16/h3-5,7-13H,2,6,14H2,1H3,(H2,22,23,24,25)","","2023-02-15","2024-02-16","(8R)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["GIH","(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid","C22 H25 F N5 O5 P","CO[P](=O)(OC)c1cnc(N[CH]2C3CCC(CC3)[CH]2C(O)=O)nc1c4c[nH]c5ncc(F)cc45;COP(=O)(c1cnc(nc1c2c[nH]c3c2cc(cn3)F)NC4C5CCC(C4C(=O)O)CC5)OC","InChI=1S/C22H25FN5O5P/c1-32-34(31,33-2)16-10-26-22(27-18-12-5-3-11(4-6-12)17(18)21(29)30)28-19(16)15-9-25-20-14(15)7-13(23)8-24-20/h7-12,17-18H,3-6H2,1-2H3,(H,24,25)(H,29,30)(H,26,27,28)/t11-,12+,17-,18-/m0/s1","","2022-05-10","2023-04-28","(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid","2023-05-03"],["GII","(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","C18 H28 N6 O6","[O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-];c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN2CC(C(C(C2CO)O)O)O","InChI=1S/C18H28N6O6/c19-22-21-12-5-6-13(14(9-12)24(29)30)20-7-3-1-2-4-8-23-10-16(26)18(28)17(27)15(23)11-25/h5-6,9,15-18,20,25-28H,1-4,7-8,10-11H2/t15-,16+,17-,18-/m1/s1","","2021-12-24","2022-04-29","(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","2022-05-04"],["YR0","7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C31 H32 N6 O4 S","O=C2C=C(N1CCOCC1)Oc3c(csc23)c4ccc(cc4)Nc5ncc6cc(C(=O)N(C)C)n(c6n5)C7CCCC7;CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)c4csc5C(=O)C=C(Oc45)N6CCOCC6)nc2n1C7CCCC7;CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7","InChI=1S/C31H32N6O4S/c1-35(2)30(39)24-15-20-17-32-31(34-29(20)37(24)22-5-3-4-6-22)33-21-9-7-19(8-10-21)23-18-42-28-25(38)16-26(41-27(23)28)36-11-13-40-14-12-36/h7-10,15-18,22H,3-6,11-14H2,1-2H3,(H,32,33,34)","","2020-05-11","2020-08-21","7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2020-08-26"],["YR1","2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid","C24 H16 N2 O8","[O-][N+](=O)c1ccc(cc1)C3C(=C(O)C(=O)N3c2ccc(O)c(C(=O)O)c2)C(=O)c4ccccc4;OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+]([O-])=O)C(=C(O)C2=O)C(=O)c4ccccc4;c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O","InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/t20-/m0/s1","","2010-03-31","2011-06-04","5-[(2S)-3-benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid",""],["GIJ","(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide","C20 H26 F3 N5 O2 S","CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F;CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCCC(F)(F)F)C)C(=O)C","InChI=1S/C20H26F3N5O2S/c1-4-13-16(12(3)29)11(2)26-17(13)14-10-31-19(27-14)28-8-7-24-9-15(28)18(30)25-6-5-20(21,22)23/h10,15,24,26H,4-9H2,1-3H3,(H,25,30)/t15-/m1/s1","","2022-02-03","2022-09-23","(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide","2022-09-28"],["YR2","(3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine","C25 H26 N8 O","NC1c2ccccc2OC21CCN(CC2)c1cnc2c(n[NH]c2n1)N1CCCc2ncccc21;N[CH]1c2ccccc2OC13CCN(CC3)c4cnc5c([nH]nc5N6CCCc7ncccc67)n4;c1ccc2c(c1)C(C3(O2)CCN(CC3)c4cnc5c(n4)[nH]nc5N6CCCc7c6cccn7)N","InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1","","2023-06-20","2023-10-06","(3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine","2023-10-11"],["GIK","~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide","C21 H23 Cl N4 O2","CC(=O)N[CH]1CC[CH](CC1)Oc2cc(cc3[nH]nc(C)c23)c4ccncc4Cl;Cc1c2c(cc(cc2OC3CCC(CC3)NC(=O)C)c4ccncc4Cl)[nH]n1","InChI=1S/C21H23ClN4O2/c1-12-21-19(26-25-12)9-14(17-7-8-23-11-18(17)22)10-20(21)28-16-5-3-15(4-6-16)24-13(2)27/h7-11,15-16H,3-6H2,1-2H3,(H,24,27)(H,25,26)/t15-,16-","","2022-05-10","2023-02-24","~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide","2023-03-01"],["YR3","(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol","C28 H42 O5","O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)CC(O)CO;CCC(CC)(c1ccc(OC[CH](O)CO)c(C)c1)c2ccc(OC[CH](O)C(C)(C)C)c(C)c2;CCC(CC)(c1ccc(c(c1)C)OCC(CO)O)c2ccc(c(c2)C)OCC(C(C)(C)C)O","InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1","(2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol","2008-01-17","2021-03-13","(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol",""],["GIL","2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN\nZOIC ACID","C30 H35 F2 N5 O5","O=C(NCC(C)C)c3ccc(Oc2nc(Oc1cc(C(=[N@H])N)ccc1)c(F)c(c2F)N(C(C)C)C(C)C)c(C(=O)O)c3;CC(C)CNC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(N(C(C)C)C(C)C)c2F)c(c1)C(O)=O;[H]N=C(c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)N","InChI=1S/C30H35F2N5O5/c1-15(2)14-35-27(38)19-10-11-22(21(13-19)30(39)40)42-29-24(32)25(37(16(3)4)17(5)6)23(31)28(36-29)41-20-9-7-8-18(12-20)26(33)34/h7-13,15-17H,14H2,1-6H3,(H3,33,34)(H,35,38)(H,39,40)","PD0297121","2005-10-18","2020-06-17","2-({4-[bis(1-methylethyl)amino]-6-(3-carbamimidoylphenoxy)-3,5-difluoropyridin-2-yl}oxy)-5-[(2-methylpropyl)carbamoyl]benzoic acid",""],["GIM","GLUCOIMIDAZOLE","C8 H13 N2 O4","OCC2[n+]1ccnc1C(O)C(O)C2O;OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]cc[n+]12;c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O","InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/p+1/t4-,5-,6+,7-/m1/s1","(5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL","2006-02-10","2021-03-13","(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["YR4","(2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol","C29 H44 O5","O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)C(CO)CCO;CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(O[CH](CO)CCO)c(C)c2;CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OC(CCO)CO","InChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1","","2011-02-18","2012-02-10","(2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol",""],["GIN","2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE","C23 H22 F3 N3 O2","O=C1C=CC(=CN1)CNc3ccccc3C(=O)Nc2cc(c(cc2)CCC)C(F)(F)F;CCCc1ccc(NC(=O)c2ccccc2NCC3=CNC(=O)C=C3)cc1C(F)(F)F;CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3","InChI=1S/C23H22F3N3O2/c1-2-5-16-9-10-17(12-19(16)23(24,25)26)29-22(31)18-6-3-4-7-20(18)27-13-15-8-11-21(30)28-14-15/h3-4,6-12,14,27H,2,5,13H2,1H3,(H,28,30)(H,29,31)","","2006-08-09","2011-06-04","2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide",""],["YR5","3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid","C15 H16 F N2 O7 P","Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNc2cc(F)cc(c2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(cc(c2)F)C(=O)O)O","InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24)","","2023-12-11","2024-05-03","3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid","2024-05-08"],["YR6","(2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide","C19 H14 F N5 O5 S","Cc1oncc1C(/O)=C(C#N)C(=O)Nc1nc(c2cccc(F)c2)c(cn1)S(C)(=O)=O;Cc1oncc1C(O)=C(C#N)C(=O)Nc2ncc(c(n2)c3cccc(F)c3)[S](C)(=O)=O;Cc1c(cno1)C(=C(C#N)C(=O)Nc2ncc(c(n2)c3cccc(c3)F)S(=O)(=O)C)O","InChI=1S/C19H14FN5O5S/c1-10-14(8-23-30-10)17(26)13(7-21)18(27)25-19-22-9-15(31(2,28)29)16(24-19)11-4-3-5-12(20)6-11/h3-6,8-9,26H,1-2H3,(H,22,24,25,27)/b17-13-","","2023-02-15","2024-02-16","(2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide","2024-02-21"],["GIO","CYCLO-(GLYCINE-L-PROLINE) INHIBITOR","C7 H10 N2 O2","O=C1N2C(C(=O)NC1)CCC2;O=C1CNC(=O)[CH]2CCCN12;C1CC2C(=O)NCC(=O)N2C1","InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1","(8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE","2004-06-23","2020-06-17","(8aS)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",""],["YR7","2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide","C23 H39 F N6 O2","OC1CCC(CC1)Nc1nc(NCCCC)ncc1C(=O)NC1CCN(CCCF)CC1;CCCCNc1ncc(C(=O)NC2CCN(CCCF)CC2)c(N[CH]3CC[CH](O)CC3)n1;CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF","InChI=1S/C23H39FN6O2/c1-2-3-12-25-23-26-16-20(21(29-23)27-17-5-7-19(31)8-6-17)22(32)28-18-9-14-30(15-10-18)13-4-11-24/h16-19,31H,2-15H2,1H3,(H,28,32)(H2,25,26,27,29)/t17-,19-","","2021-03-25","2021-10-01","2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide","2021-10-06"],["GIP","S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE","C17 H23 I N4 O8 S","Ic1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1;N[CH](CCC(=O)N[CH](CS[CH](O)N(O)c1ccc(I)cc1)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1N(C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I","InChI=1S/C17H23IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17+/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-{(R)-hydroxy[hydroxy(4-iodophenyl)amino]methyl}-L-cysteinylglycine",""],["YR8","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(piperidin-4-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid","C25 H29 F N2 O5 S","C[CH](OCC1CCNCC1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)OCC4CCNCC4","InChI=1S/C25H29FN2O5S/c1-15(33-13-16-8-10-27-11-9-16)19-4-3-5-20-22(24(25(29)30)28-23(19)20)17-6-7-18(21(26)12-17)14-34(2,31)32/h3-7,12,15-16,27-28H,8-11,13-14H2,1-2H3,(H,29,30)/t15-/m0/s1","","2023-06-20","2024-07-05","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(piperidin-4-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GIQ","3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE","C11 H10 N4","n2cccc3c1nc(n(c1ccc23)C)N;Cn1c(N)nc2c1ccc3ncccc23;Cn1c2ccc3c(c2nc1N)cccn3","InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)","2-AMINO-3-METHYLIMIDAZO[4,5-F]QUINOLINE","2006-07-13","2021-03-13","3-methyl-3H-imidazo[4,5-f]quinolin-2-amine",""],["GIR","GIRODAZOLE","C6 H11 Cl N4 O","ClC(C(O)c1cnc(N)n1)CN;NC[CH](Cl)[CH](O)c1[nH]c(N)nc1;c1c([nH]c(n1)N)C(C(CN)Cl)O","InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1","","2007-03-01","2011-06-04","(1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol",""],["YR9","N-[2-[4-[(3-bromophenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide","C17 H18 Br N3 O4 S","CC(=O)NCCc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cccc(Br)c2;CC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccc(c2)Br","InChI=1S/C17H18BrN3O4S/c1-12(22)19-10-9-13-5-7-16(8-6-13)26(24,25)21-17(23)20-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H2,20,21,23)","","2023-12-12","2024-11-15","~{N}-[2-[4-[(3-bromophenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide","2024-11-20"],["YRA","3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide","C16 H17 Cl N2 O","NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2;c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N","InChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20)","","2016-12-14","2017-05-19","3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide","2017-05-24"],["GIS","ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE","C12 H14 Cl N3 O4","O=C(OCC)C(Cl)c1c(cc(NC(=[N@H])N)cc1)C(=O)O;CCOC(=O)[CH](Cl)c1ccc(NC(N)=N)cc1C(O)=O;CCOC(=O)C(c1ccc(cc1C(=O)O)NC(=N)N)Cl","InChI=1S/C12H14ClN3O4/c1-2-20-11(19)9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)18/h3-5,9H,2H2,1H3,(H,17,18)(H4,14,15,16)/t9-/m0/s1","","1999-07-08","2024-09-27","5-carbamimidamido-2-[(1S)-1-chloro-2-ethoxy-2-oxoethyl]benzoic acid",""],["YRB","(3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone","C40 H71 N7 O9","CC(C)C(O)C1C(=O)NC(CC(C)CC)C(=O)N(C)C(C)C(=O)N2CCCCC2C(=O)NC(C(O)C(C)C)C(=O)NC(C(C)CC)C(=O)N(C)C(C)C(=O)N1C;CC[CH](C)C[CH]1NC(=O)[CH]([CH](O)C(C)C)N(C)C(=O)[CH](C)N(C)C(=O)[CH](NC(=O)[CH](NC(=O)[CH]2CCCCN2C(=O)[CH](C)N(C)C1=O)[CH](O)C(C)C)[CH](C)CC;CCC(C)CC1C(=O)N(C(C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C)O)C)C)C)C(C)CC)C(C(C)C)O)C)C","InChI=1S/C40H71N7O9/c1-14-23(7)20-27-39(55)44(11)26(10)38(54)47-19-17-16-18-28(47)34(50)43-30(32(48)21(3)4)35(51)42-29(24(8)15-2)40(56)45(12)25(9)37(53)46(13)31(36(52)41-27)33(49)22(5)6/h21-33,48-49H,14-20H2,1-13H3,(H,41,52)(H,42,51)(H,43,50)/t23-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33+/m0/s1","","2023-02-16","2023-04-14","(3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone","2023-04-19"],["GIT","[1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate","C20 H20 N4 O3","O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1ccccc1;CC(=O)Cn1nnc(c1COC(=O)NCc2ccccc2)c3ccccc3;CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3","InChI=1S/C20H20N4O3/c1-15(25)13-24-18(19(22-23-24)17-10-6-3-7-11-17)14-27-20(26)21-12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,21,26)","","2022-01-01","2024-09-27","[1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate","2022-01-12"],["YRC","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)-1~{H}-indole-2-carboxylic acid","C26 H26 N4 O5","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc6C(=O)NCc6c5;CC(c1cccc2c1[nH]c(c2c3ccc4c(c3)CNC4=O)C(=O)O)N5CC6(CC(C6)CN)OC5=O","InChI=1S/C26H26N4O5/c1-13(30-12-26(35-25(30)34)8-14(9-26)10-27)17-3-2-4-19-20(22(24(32)33)29-21(17)19)15-5-6-18-16(7-15)11-28-23(18)31/h2-7,13-14,29H,8-12,27H2,1H3,(H,28,31)(H,32,33)/t13-,14-,26-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GIU","~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide","C13 H15 N3 O2 S","O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23;c1cc2cnccc2c(c1)S(=O)(=O)NC3CCNC3","InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1","","2022-02-03","2022-09-23","~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide","2022-09-28"],["YRD","~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide","C12 H16 N2 O2 S2","CCCCCC(=O)NC1=C2SSC=C2N(C)C1=O;CCCCCC(=O)NC1=C2C(=CSS2)N(C1=O)C","InChI=1S/C12H16N2O2S2/c1-3-4-5-6-9(15)13-10-11-8(7-17-18-11)14(2)12(10)16/h7H,3-6H2,1-2H3,(H,13,15)","","2023-12-12","2024-10-11","~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide","2024-10-16"],["GIV","beta-L-galactopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m0/s1","beta-L-galactose; L-galactose; galactose","2012-02-06","2020-07-17","beta-L-galactopyranose","2013-02-15"],["GIW","1,3-dithiane-2-carboxylic acid","C5 H8 O2 S2","O=C(O)C1SCCCS1;OC(=O)C1SCCCS1;C1CSC(SC1)C(=O)O","InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)","","2023-07-20","2024-06-28","1,3-dithiane-2-carboxylic acid","2024-07-03"],["YRE","(7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide","C32 H47 N5 O6","O=C1CCCN1C1Cc2cccc(OCCCCC(NC(=O)C(CCN3CCOCC3)NC1=O)C(=O)NC1CCCC1)c2;O=C1CCCN1[CH]2Cc3cccc(OCCCC[CH](NC(=O)[CH](CCN4CCOCC4)NC2=O)C(=O)NC5CCCC5)c3;c1cc2cc(c1)OCCCCC(NC(=O)C(NC(=O)C(C2)N3CCCC3=O)CCN4CCOCC4)C(=O)NC5CCCC5","InChI=1S/C32H47N5O6/c38-29-12-6-14-37(29)28-22-23-7-5-10-25(21-23)43-18-4-3-11-26(30(39)33-24-8-1-2-9-24)34-31(40)27(35-32(28)41)13-15-36-16-19-42-20-17-36/h5,7,10,21,24,26-28H,1-4,6,8-9,11-20,22H2,(H,33,39)(H,34,40)(H,35,41)/t26-,27-,28-/m0/s1","","2023-02-16","2023-12-15","(7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide","2023-12-20"],["GIX","PROTOPORPHYRIN IX CONTAINING GA","C34 H32 Ga N4 O4","CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5n6c(C=C7C(=C(C)C8=[N+]7[Ga+3]46[N]2C1=C8)C=C)c(C)c5C=C)C(=C3CCC(O)=O)C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C","InChI=1S/C34H34N4O4.Ga/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+7/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2011-03-07","2011-06-07","",""],["YRF","7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H28 F N5 O6 S","C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)NS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CN5CC(C5)N","InChI=1S/C25H28FN5O6S/c1-13(31-12-16(37-25(31)34)11-30-9-15(27)10-30)17-4-3-5-18-21(23(24(32)33)28-22(17)18)14-6-7-20(19(26)8-14)29-38(2,35)36/h3-8,13,15-16,28-29H,9-12,27H2,1-2H3,(H,32,33)/t13-,16?/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YRG","(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid","C15 H13 Cl O3","Clc2ccc(OC(C(=O)O)Cc1ccccc1)cc2;OC(=O)[CH](Cc1ccccc1)Oc2ccc(Cl)cc2;c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)Cl","InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1","","2008-02-28","2011-06-04","(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid",""],["GIY","(2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide","C22 H22 N6 O5 S2","O=S(=O)(NCc1cn(nn1)C(Cc1ccc(OC)cc1)C(=O)NO)c1ccc(s1)c1ncccc1;COc1ccc(C[CH](n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2)C(=O)NO)cc1;COc1ccc(cc1)CC(C(=O)NO)n2cc(nn2)CNS(=O)(=O)c3ccc(s3)c4ccccn4","InChI=1S/C22H22N6O5S2/c1-33-17-7-5-15(6-8-17)12-19(22(29)26-30)28-14-16(25-27-28)13-24-35(31,32)21-10-9-20(34-21)18-4-2-3-11-23-18/h2-11,14,19,24,30H,12-13H2,1H3,(H,26,29)/t19-/m0/s1","","2022-01-02","2022-07-15","(2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide","2022-07-20"],["YRH","~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide","C11 H14 N2 O2 S2","CCCCCC(=O)NC1=C2SSC=C2NC1=O;CCCCCC(=O)NC1=C2C(=CSS2)NC1=O","InChI=1S/C11H14N2O2S2/c1-2-3-4-5-8(14)13-9-10-7(6-16-17-10)12-11(9)15/h6H,2-5H2,1H3,(H,12,15)(H,13,14)","","2023-12-12","2024-10-11","~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide","2024-10-16"],["GIZ","1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone","C24 H37 N5 O S","CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC;CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN(CC4)CC)C)C(=O)C","InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3","","2022-02-03","2022-09-23","1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["YRI","(6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","C30 H32 Br2 N4 O3","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccc(Br)c(Br)c3)n(C3CCC(OC)CC3)c2cc1;CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccc(Br)c(Br)c6;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6ccc(c(c6)Br)Br","InChI=1S/C30H32Br2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22+,27-/m0/s1","","2023-02-16","2024-02-16","(6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one","2024-02-21"],["GJ0","(2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid","C16 H13 Br F2 N2 O4","N[CH](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O;c1cc(ccc1NC(=O)CC(C(=O)O)N)Oc2cc(c(cc2Br)F)F","InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1","WAY-213613","2022-05-13","2022-06-17","(2~{S})-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid","2022-06-22"],["GJ1","{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol","C15 H17 N O3","c2(OCc1cccc(n1)CO)ccc(cc2C)OC;COc1ccc(OCc2cccc(CO)n2)c(C)c1;Cc1cc(ccc1OCc2cccc(n2)CO)OC","InChI=1S/C15H17NO3/c1-11-8-14(18-2)6-7-15(11)19-10-13-5-3-4-12(9-17)16-13/h3-8,17H,9-10H2,1-2H3","","2018-05-23","2024-09-27","{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol","2018-09-05"],["YRJ","3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium","C18 H22 N4 O10 P","[O-][N+](=O)c1ccc(cc1)NC(=O)NCc1ccc[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)[n+]2cccc(CNC(=O)Nc3ccc(cc3)[N+]([O-])=O)c2;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-]","InChI=1S/C18H21N4O10P/c23-15-14(10-31-33(28,29)30)32-17(16(15)24)21-7-1-2-11(9-21)8-19-18(25)20-12-3-5-13(6-4-12)22(26)27/h1-7,9,14-17,23-24H,8,10H2,(H3-,19,20,25,28,29,30)/p+1/t14-,15-,16-,17-/m1/s1","","2021-03-26","2022-01-28","3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium","2022-02-02"],["YRK","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","C24 H26 N4 O6","COc1cc(cnc1O)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O;CC(c1cccc2c1[nH]c(c2c3cc(c(nc3)O)OC)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C24H26N4O6/c1-12(28-11-24(34-23(28)32)7-13(8-24)9-25)15-4-3-5-16-18(20(22(30)31)27-19(15)16)14-6-17(33-2)21(29)26-10-14/h3-6,10,12-13,27H,7-9,11,25H2,1-2H3,(H,26,29)(H,30,31)/t12-,13-,24-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GJ2","4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide","C18 H17 F3 N2 O4 S2","FC(F)(F)CCN[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F","InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2","","2018-09-17","2018-12-21","4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide","2018-12-26"],["GJ3","benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)","C32 H49 N5 O7","CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NN(CC1CCNC1=O)C(C)=O;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(=O)NN(C[CH]3CCNC3=O)C(C)=O;CC(C(C(=O)NC(CC1CCCCC1)C(=O)NN(CC2CCNC2=O)C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C","InChI=1S/C32H49N5O7/c1-21(44-32(3,4)5)27(35-31(42)43-20-24-14-10-7-11-15-24)30(41)34-26(18-23-12-8-6-9-13-23)29(40)36-37(22(2)38)19-25-16-17-33-28(25)39/h7,10-11,14-15,21,23,25-27H,6,8-9,12-13,16-20H2,1-5H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/t21-,25+,26+,27+/m1/s1","","2022-01-03","2024-09-27","benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)","2023-04-12"],["YRL","4-(2-hydroxyethyl)phenol","C8 H10 O2","Oc1ccc(cc1)CCO;OCCc1ccc(O)cc1;c1cc(ccc1CCO)O","InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2","p-tyrosol","2014-03-25","2021-03-01","4-(2-hydroxyethyl)phenol","2014-07-30"],["GJ4","(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide","C21 H31 N5 O3 S","CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCCCO;CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCCCCO)C)C(=O)C","InChI=1S/C21H31N5O3S/c1-4-15-18(14(3)28)13(2)24-19(15)16-12-30-21(25-16)26-9-8-22-11-17(26)20(29)23-7-5-6-10-27/h12,17,22,24,27H,4-11H2,1-3H3,(H,23,29)/t17-/m1/s1","","2022-02-03","2022-09-23","(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide","2022-09-28"],["YRM","(5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione","C17 H18 F3 N5 O2","FC(F)(F)c1cc(n2cncc2c1)N1CCC2(NC(=O)NC2=O)C(C)(C)C1;CC1(C)CN(CC[C]12NC(=O)NC2=O)c3cc(cc4cncn34)C(F)(F)F;CC1(CN(CCC12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C","InChI=1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)/t16-/m1/s1","","2021-03-29","2021-08-27","(5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione","2021-09-01"],["YRO","5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C11 H16 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCC(C)(C)C;CC(C)(C)CCC1=C(NC(=O)NC1=O)C(O)=O;CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O","InChI=1S/C11H16N2O4/c1-11(2,3)5-4-6-7(9(15)16)12-10(17)13-8(6)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)","","2012-11-21","2013-11-15","5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-20"],["GJ5","4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C17 H19 F3 N2 O S","CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F;CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)","","2018-09-17","2018-12-21","4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["YRP","(2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide","C22 H20 Cl F2 N3 O","Clc1ccc(cc1)NC(=O)C(C)C1C2CC(CC21)n1cnc2cc(F)c(F)cc21;C[CH]([CH]1[CH]2C[CH](C[CH]12)n3cnc4cc(F)c(F)cc34)C(=O)Nc5ccc(Cl)cc5;CC(C1C2C1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl","InChI=1S/C22H20ClF2N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11-,14-,15-,16+,21+/m1/s1","","2021-03-29","2021-08-27","(2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide","2021-09-01"],["GJ6","(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol","C13 H19 N O3","CC(C)N[CH]1CCc2c(O)c(O)ccc2[CH]1O;CC(C)NC1CCc2c(ccc(c2O)O)C1O","InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1","","2022-05-13","2023-04-21","(5~{R},6~{R})-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol","2023-04-26"],["GJ7","2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide","C26 H26 N4 O4","CCC(=O)N1C2CC(C1)N(C2)c5ccc(C(N)=O)c(Oc4ccc(Oc3ccccc3)cc4)n5;CCC(=O)N1C[CH]2C[CH]1CN2c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3;CCC(=O)N1CC2CC1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N","InChI=1S/C26H26N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h3-13,17-18H,2,14-16H2,1H3,(H2,27,32)/t17-,18-/m0/s1","","2018-05-23","2024-09-27","2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide","2018-09-05"],["YRQ","[(2S)-1-hydroxypropan-2-yl]phosphonic acid","C3 H9 O4 P","CC(CO)P(=O)(O)O;C[CH](CO)[P](O)(O)=O;CC(CO)P(=O)(O)O","InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1","","2023-02-17","2023-06-09","[(2S)-1-hydroxypropan-2-yl]phosphonic acid","2023-06-14"],["GJ8","4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C20 H18 F3 N3 O3 S2","FC(F)(F)CCNC(=O)c1ccc(cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2;c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F","InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27)","","2018-09-17","2018-12-21","4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["YRR","3-HYDROXY-PYRROLIDIN-2-YLMETHYL-MONOPHOSPHATE GROUP","C5 H12 N O5 P","O=P(OCC1NCCC1O)(O)O;O[CH]1CCN[CH]1CO[P](O)(O)=O;C1CNC(C1O)COP(=O)(O)O","InChI=1S/C5H12NO5P/c7-5-1-2-6-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,5+/m1/s1","","1999-07-08","2011-06-04","[(2R,3S)-3-hydroxypyrrolidin-2-yl]methyl dihydrogen phosphate",""],["YRT","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H29 F N4 O7 S","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](=O)(=O)C6COC6)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)NS(=O)(=O)C4COC4)C(=O)O)N5CC6(CC(C6)CN)OC5=O","InChI=1S/C27H29FN4O7S/c1-14(32-13-27(39-26(32)35)8-15(9-27)10-29)18-3-2-4-19-22(24(25(33)34)30-23(18)19)16-5-6-21(20(28)7-16)31-40(36,37)17-11-38-12-17/h2-7,14-15,17,30-31H,8-13,29H2,1H3,(H,33,34)/t14-,15-,27-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GJ9","(1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium","C28 H38 N5 O4 S","O=C(O)CCCOc1c(C)cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1CCC(O)CC1;Cc1cc2cccnc2c(N3CCC[NH+](CC3)Cc4csc(n4)N5CCC(O)CC5)c1OCCCC(O)=O;Cc1cc2cccnc2c(c1OCCCC(=O)O)N3CCC[NH+](CC3)Cc4csc(n4)N5CCC(CC5)O","InChI=1S/C28H37N5O4S/c1-20-17-21-5-2-9-29-25(21)26(27(20)37-16-3-6-24(35)36)32-11-4-10-31(14-15-32)18-22-19-38-28(30-22)33-12-7-23(34)8-13-33/h2,5,9,17,19,23,34H,3-4,6-8,10-16,18H2,1H3,(H,35,36)/p+1","","2022-01-03","2022-07-22","(1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium","2022-07-27"],["YRV","S-[(3-methylphenyl)methyl]-L-cysteine","C11 H15 N O2 S","O=C(O)C(N)CSCc1cccc(C)c1;Cc1cccc(CSC[CH](N)C(O)=O)c1;Cc1cccc(c1)CSCC(C(=O)O)N","InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1","","2021-03-29","2024-10-02","S-[(3-methylphenyl)methyl]-L-cysteine","2024-04-24"],["GJA","6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide","C25 H24 N4 O4","c1(nc(ccc1C(N)=O)N2CC(NC([C@H]=C)=O)CC2)Oc4ccc(Oc3ccccc3)cc4;NC(=O)c1ccc(nc1Oc2ccc(Oc3ccccc3)cc2)N4CC[CH](C4)NC(=O)C=C;C=CC(=O)NC1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N","InChI=1S/C25H24N4O4/c1-2-23(30)27-17-14-15-29(16-17)22-13-12-21(24(26)31)25(28-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H2,26,31)(H,27,30)/t17-/m0/s1","","2018-05-23","2018-08-31","6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide","2018-09-05"],["YRW","3-aminopyridine-4-carboxamide","C6 H7 N3 O","O=C(N)c1ccncc1N;NC(=O)c1ccncc1N;c1cncc(c1C(=O)N)N","InChI=1S/C6H7N3O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,7H2,(H2,8,10)","","2023-02-17","2023-03-31","3-aminopyridine-4-carboxamide","2023-04-05"],["GJB","1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione","C12 H12 N2 O3","O=C1N(C(=O)CC(=O)N1)CCc2ccccc2;O=C1CC(=O)N(CCc2ccccc2)C(=O)N1;c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O","InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17)","","2012-07-30","2014-05-09","1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione","2012-10-26"],["GJC","2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide","C21 H28 N8 O2 S","CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC3)Cc4cn(CC(N)=O)nn4;CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)Cc4cn(nn4)CC(=O)N)C)C(=O)C","InChI=1S/C21H28N8O2S/c1-4-16-19(14(3)30)13(2)23-20(16)17-12-32-21(24-17)28-7-5-27(6-8-28)9-15-10-29(26-25-15)11-18(22)31/h10,12,23H,4-9,11H2,1-3H3,(H2,22,31)","","2022-02-03","2022-09-23","2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide","2022-09-28"],["YRX","7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H31 F N4 O6 S","C[CH](N1C[CH](CN2CC(C)(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CN5CC(C5)(C)N","InChI=1S/C27H31FN4O6S/c1-15(32-11-18(38-26(32)35)10-31-13-27(2,29)14-31)19-5-4-6-20-22(24(25(33)34)30-23(19)20)16-7-8-17(21(28)9-16)12-39(3,36)37/h4-9,15,18,30H,10-14,29H2,1-3H3,(H,33,34)/t15-,18-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YRZ","N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine","C13 H18 N6","n2c(c1c(NCC1)n3nccc23)NC4CCCNC4;C1CNC[CH](C1)Nc2nc3ccnn3c4NCCc24;c1cnn2c1nc(c3c2NCC3)NC4CCCNC4","InChI=1S/C13H18N6/c1-2-9(8-14-5-1)17-12-10-3-6-15-13(10)19-11(18-12)4-7-16-19/h4,7,9,14-15H,1-3,5-6,8H2,(H,17,18)/t9-/m0/s1","","2013-09-18","2013-12-13","N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine","2013-12-18"],["GJD","4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide","C12 H18 N6 O2","c1(nc(N)c(C(=O)N)cn1)N2CC(NC(CC)=O)CC2;CCC(=O)N[CH]1CCN(C1)c2ncc(C(N)=O)c(N)n2;CCC(=O)NC1CCN(C1)c2ncc(c(n2)N)C(=O)N","InChI=1S/C12H18N6O2/c1-2-9(19)16-7-3-4-18(6-7)12-15-5-8(11(14)20)10(13)17-12/h5,7H,2-4,6H2,1H3,(H2,14,20)(H,16,19)(H2,13,15,17)/t7-/m0/s1","","2018-05-23","2024-09-27","4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide","2018-10-17"],["YS1","[({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)","C15 H18 N2 O7 P2","O=P(O)(O)C(Nc1nccc(c1)c3ccc(OC2CC2)cc3)P(=O)(O)O;O[P](O)(=O)C(Nc1cc(ccn1)c2ccc(OC3CC3)cc2)[P](O)(O)=O;c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3","InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-14-9-11(7-8-16-14)10-1-3-12(4-2-10)24-13-5-6-13/h1-4,7-9,13,15H,5-6H2,(H,16,17)(H2,18,19,20)(H2,21,22,23)","","2014-03-31","2015-04-10","[({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)","2015-04-15"],["GJE","4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","C10 H9 F3 N4 O","FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-];c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-]","InChI=1S/C10H9F3N4O/c11-10(12,13)5-6-15-9(18)7-1-3-8(4-2-7)16-17-14/h1-4H,5-6H2,(H,15,18)","","2018-09-17","2018-12-21","4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide","2018-12-26"],["GJF","(1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol","C20 H24 N10 O10 P2 S2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3O)O[CH]5n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)S)OC5n6cnc7c6ncnc7N)O)S)O)N","InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,41+,42+/m1/s1","","2022-05-15","2022-09-30","(1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol","2022-10-05"],["YS2","(1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C24 H38 O3","OC3C(=C)C(O)C/C(=CC=C1/CCCC2(C)C(C(C)CCCO)CCC12)C3;C[CH](CCCO)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(CCCO)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C24H38O3/c1-16(6-5-13-25)20-10-11-21-19(7-4-12-24(20,21)3)9-8-18-14-22(26)17(2)23(27)15-18/h8-9,16,20-23,25-27H,2,4-7,10-15H2,1,3H3/b19-9+/t16-,20-,21+,22-,23-,24-/m1/s1","","2012-04-23","2012-05-18","(1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["YS3","(1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C26 H42 O3","OC3C(=C)C(O)CC(=CC=C1/CCCC2(C)C(C(C)CCC(O)(C)C)CCC12)C3;C[CH](CCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(CCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C26H42O3/c1-17(12-14-25(3,4)29)21-10-11-22-20(7-6-13-26(21,22)5)9-8-19-15-23(27)18(2)24(28)16-19/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b20-9+/t17-,21-,22+,23-,24-,26-/m1/s1","","2012-04-23","2012-05-18","(1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["GJG","6-(cyclohexylamino)pyridine-3-carboxamide","C12 H17 N3 O","n1cc(ccc1NC2CCCCC2)C(=O)N;NC(=O)c1ccc(NC2CCCCC2)nc1;c1cc(ncc1C(=O)N)NC2CCCCC2","InChI=1S/C12H17N3O/c13-12(16)9-6-7-11(14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,16)(H,14,15)","","2018-05-23","2018-10-12","6-(cyclohexylamino)pyridine-3-carboxamide","2018-10-17"],["YS4","[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)","C15 H20 N2 O7 P2","O=P(O)(O)C(Nc1nccc(c1)c2ccc(OC(C)C)cc2)P(=O)(O)O;CC(C)Oc1ccc(cc1)c2ccnc(NC([P](O)(O)=O)[P](O)(O)=O)c2;CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)","","2012-01-30","2012-03-16","[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)",""],["GJI","3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one","C16 H20 N4 O S","Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4;Cc1c2c(c([nH]1)c3csc(n3)N4CCNCC4)CCCC2=O","InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3","","2022-02-03","2022-09-23","3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one","2022-09-28"],["GJJ","6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide","C24 H30 N6 O3","c2(Nc1ccc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3CCC(NC(=O)C=C)C3;CC(C)(C)NC(=O)c1ccc(Nc2nc(ccc2C(N)=O)N3CC[CH](C3)NC(=O)C=C)cc1;CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CCC(C3)NC(=O)C=C)C(=O)N","InChI=1S/C24H30N6O3/c1-5-20(31)26-17-12-13-30(14-17)19-11-10-18(21(25)32)22(28-19)27-16-8-6-15(7-9-16)23(33)29-24(2,3)4/h5-11,17H,1,12-14H2,2-4H3,(H2,25,32)(H,26,31)(H,27,28)(H,29,33)/t17-/m0/s1","","2018-05-23","2024-09-27","6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide","2018-09-05"],["YS5","(1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C32 H54 O3","OC3C(=C)C(O)C/C(=CC=C1/CCCC2(C)C(C(C)C(CCCC)CC(O)(CC)CC)CCC12)C3;CCCC[CH](CC(O)(CC)CC)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCCCC(CC(CC)(CC)O)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C32H54O3/c1-7-10-12-26(21-32(35,8-2)9-3)22(4)27-16-17-28-25(13-11-18-31(27,28)6)15-14-24-19-29(33)23(5)30(34)20-24/h14-15,22,26-30,33-35H,5,7-13,16-21H2,1-4,6H3/b25-15+/t22-,26+,27-,28+,29-,30-,31-/m1/s1","","2012-04-23","2012-05-18","(1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["YS6","1-pyridin-4-ylthiourea","C6 H7 N3 S","NC(=S)Nc1ccncc1;c1cnccc1NC(=S)N","InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)","","2016-03-12","2016-03-25","1-pyridin-4-ylthiourea","2016-03-30"],["GJK","(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one","C11 H12 O3","COc1cc(C=CC(C)=O)ccc1O;CC(=O)C=Cc1ccc(c(c1)OC)O","InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+","","2018-09-18","2019-09-27","(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one","2019-10-02"],["GJL","4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one","C16 H17 N3 O5 S","CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O;Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C","InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3","","2020-08-31","2022-03-11","4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one","2022-03-16"],["YS7","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside","C27 H49 N6 O12 P","O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CC[CH]3N)CNCc4c(O)c(C)ncc4CO[P](O)(O)=O)[CH]2O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC2CCC(C(O2)OC3C(CC(C(C3O)OC4C(C(C(CO4)(C)O)NC)O)N)N)N)O","InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1","","2021-03-30","2024-09-27","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside","2021-09-22"],["YS8","[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid","C4 H11 O4 P","CC(C)C(O)P(=O)(O)O;CC(C)[CH](O)[P](O)(O)=O;CC(C)C(O)P(=O)(O)O","InChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1","","2023-02-17","2023-06-09","[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid","2023-06-14"],["GJM","(2S)-oxane-2-carboxylic acid","C6 H10 O3","O=C(O)C1CCCCO1;OC(=O)[CH]1CCCCO1;C1CCOC(C1)C(=O)O","InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1","","2023-07-20","2024-06-28","(2S)-oxane-2-carboxylic acid","2024-07-03"],["GJN","4-phenyl-5H-pyridazino[4,3-b]indol-3-amine","C16 H12 N4","Nc1nnc2c3ccccc3[NH]c2c1c1ccccc1;Nc1nnc2c([nH]c3ccccc23)c1c4ccccc4;c1ccc(cc1)c2c3c(c4ccccc4[nH]3)nnc2N","InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)","","2022-01-03","2022-08-12","4-phenyl-5H-pyridazino[4,3-b]indol-3-amine","2022-08-17"],["YS9","(1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C31 H52 O3","OC3C(=C)C(O)C/C(=CC=C1/CCCC2(C)C(C(C)C(CCCC)CCC(O)(C)C)CCC12)C3;CCCC[CH](CCC(C)(C)O)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCCCC(CCC(C)(C)O)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24+,26-,27+,28-,29-,31-/m1/s1","","2014-04-29","2015-04-10","(1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2015-04-15"],["GJO","4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide","C24 H20 N4 O7 S","COc1ccc(cc1)[S](=O)(=O)NC(=O)c2[nH]c3c(c2)c(ccc3[N+]([O-])=O)c4cccc(NC(C)=O)c4;CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-]","InChI=1S/C24H20N4O7S/c1-14(29)25-16-5-3-4-15(12-16)19-10-11-22(28(31)32)23-20(19)13-21(26-23)24(30)27-36(33,34)18-8-6-17(35-2)7-9-18/h3-13,26H,1-2H3,(H,25,29)(H,27,30)","","2020-08-31","2020-09-18","4-(3-acetamidophenyl)-~{N}-(4-methoxyphenyl)sulfonyl-7-nitro-1~{H}-indole-2-carboxamide","2020-09-23"],["YSA","5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE","C19 H23 N7 O8 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4;N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cc(ccc1CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O","InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1","TYROSYLADENYLATE","2004-03-02","2020-06-17","5'-O-(L-tyrosylsulfamoyl)adenosine",""],["GJP","4-hydroxyquinoline-3-carboxylic acid","C10 H7 N O3","c12ccccc1c(c(cn2)C(O)=O)O;OC(=O)c1cnc2ccccc2c1O;c1ccc2c(c1)c(c(cn2)C(=O)O)O","InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)","","2018-05-24","2019-05-24","4-hydroxyquinoline-3-carboxylic acid","2019-05-29"],["YSB","7-[(1~{S})-1-[5-[2-(1-azanylcyclopropyl)ethyl]-2-oxidanylidene-1,3-oxazol-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H28 F N3 O6 S","C[CH](N1C=C(CCC2(N)CC2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4C=C(OC4=O)CCC5(CC5)N","InChI=1S/C27H28FN3O6S/c1-15(31-13-18(37-26(31)34)8-9-27(29)10-11-27)19-4-3-5-20-22(24(25(32)33)30-23(19)20)16-6-7-17(21(28)12-16)14-38(2,35)36/h3-7,12-13,15,30H,8-11,14,29H2,1-2H3,(H,32,33)/t15-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[5-[2-(1-azanylcyclopropyl)ethyl]-2-oxidanylidene-1,3-oxazol-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YSC","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","C18 H23 N5 O9 S","N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N;c1cc(ccc1CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)N)O","InChI=1S/C18H23N5O9S/c19-11(7-9-1-3-10(24)4-2-9)16(27)22-33(29,30)31-8-12-14(25)15(26)17(32-12)23-6-5-13(20)21-18(23)28/h1-6,11-12,14-15,17,24-26H,7-8,19H2,(H,22,27)(H2,20,21,28)/t11-,12+,14+,15+,17+/m0/s1","","2018-08-13","2019-04-12","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","2019-04-17"],["GJQ","(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine","C15 H12 Cl2 N6 O2","NC1=N[CH](N(C(=N1)N)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=O;c1cc(ccc1C2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-]","InChI=1S/C15H12Cl2N6O2/c16-11-6-5-10(7-12(11)17)22-13(20-14(18)21-15(22)19)8-1-3-9(4-2-8)23(24)25/h1-7,13H,(H4,18,19,20,21)/t13-/m1/s1","","2018-09-18","2019-05-03","(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine","2019-05-08"],["YSD","(1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C28 H46 O3","OC3C(=C)C(O)C/C(=CC=C1/CCCC2(C)C(C(C)CCC(O)(CC)CC)CCC12)C3;CCC(O)(CC)CC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCC(CC)(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C)O","InChI=1S/C28H46O3/c1-6-28(31,7-2)16-14-19(3)23-12-13-24-22(9-8-15-27(23,24)5)11-10-21-17-25(29)20(4)26(30)18-21/h10-11,19,23-26,29-31H,4,6-9,12-18H2,1-3,5H3/b22-11+/t19-,23-,24+,25-,26-,27-/m1/s1","","2012-04-23","2012-05-18","(1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["GJR","9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine","C13 H11 Cl F2 N6 O","Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)ccn3)cnc12;c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl","InChI=1S/C13H11ClF2N6O/c14-13-20-11(17)10-12(21-13)22(6-19-10)4-7-3-8(1-2-18-7)23-5-9(15)16/h1-3,6,9H,4-5H2,(H2,17,20,21)","","2020-09-01","2021-08-27","9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine","2021-09-01"],["YSE","(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C26 H42 O3","CC[CH](CCO)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCC(CCO)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C26H42O3/c1-5-20(12-14-27)17(2)22-10-11-23-21(7-6-13-26(22,23)4)9-8-19-15-24(28)18(3)25(29)16-19/h8-9,17,20,22-25,27-29H,3,5-7,10-16H2,1-2,4H3/b21-9+/t17-,20+,22-,23+,24-,25-,26-/m1/s1","","2015-07-08","2015-11-13","(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2015-11-18"],["GJS","4-hydroxybenzene-1,2-dicarboxylic acid","C8 H6 O5","c1(C(O)=O)c(C(O)=O)ccc(c1)O;OC(=O)c1ccc(O)cc1C(O)=O;c1cc(c(cc1O)C(=O)O)C(=O)O","InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)","","2018-05-24","2019-05-24","4-hydroxybenzene-1,2-dicarboxylic acid","2019-05-29"],["YSG","5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione","C23 H19 Cl N4 O4","O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCC)cc(Cl)c2)C(=O)N1;CCCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O;CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O","InChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31)","","2021-03-30","2021-06-25","5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GJT","(3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid","C17 H26 N4 O5","CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc(CO)nn2)C(O)=O;CCC(CC)OC1C=C(CC(C1NC(=O)C)n2cc(nn2)CO)C(=O)O","InChI=1S/C17H26N4O5/c1-4-13(5-2)26-15-7-11(17(24)25)6-14(16(15)18-10(3)23)21-8-12(9-22)19-20-21/h7-8,13-16,22H,4-6,9H2,1-3H3,(H,18,23)(H,24,25)/t14-,15+,16+/m0/s1","","2018-09-19","2019-09-06","(3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid","2019-09-11"],["YSH","1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID","C16 H17 N3 O3","N#Cc1c(OCC(C)(C)C)ccc(c1)n2ncc(c2)C(=O)O;CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(O)=O;CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O","InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)","Y-700","2004-04-05","2020-06-17","1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid",""],["GJU","9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine","C14 H13 Cl F2 N6 O","C[CH](n1cnc2c(N)nc(Cl)nc12)c3cc(OCC(F)F)ccn3;CC(c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl","InChI=1S/C14H13ClF2N6O/c1-7(9-4-8(2-3-19-9)24-5-10(16)17)23-6-20-11-12(18)21-14(15)22-13(11)23/h2-4,6-7,10H,5H2,1H3,(H2,18,21,22)/t7-/m0/s1","","2020-09-01","2021-08-27","9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine","2021-09-01"],["GJV","9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine","C13 H21 N8 O3","n1c(c2c(nc1)n(cn2)C3C(C(O)C(O3)CCCNC(N)=[NH2+])O)N;NC(=[NH2+])NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCCNC(=[NH2+])N)O)O)N","InChI=1S/C13H20N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h4-6,8-9,12,22-23H,1-3H2,(H2,14,18,19)(H4,15,16,17)/p+1/t6-,8-,9-,12-/m1/s1","","2016-02-17","2017-02-24","9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine","2017-03-01"],["YSI","(3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile","C20 H24 N8","Cn1cc(cn1)Nc1ncc(C)c(n1)c1cn(nc1)C(CC#N)C1CCCC1;Cn1cc(Nc2ncc(C)c(n2)c3cnn(c3)[CH](CC#N)C4CCCC4)cn1;Cc1cnc(nc1c2cnn(c2)C(CC#N)C3CCCC3)Nc4cnn(c4)C","InChI=1S/C20H24N8/c1-14-9-22-20(25-17-11-23-27(2)13-17)26-19(14)16-10-24-28(12-16)18(7-8-21)15-5-3-4-6-15/h9-13,15,18H,3-7H2,1-2H3,(H,22,25,26)/t18-/m1/s1","","2023-02-17","2023-06-16","(3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile","2023-06-21"],["YSJ","5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","C27 H17 Cl2 F N4 O4","Clc1ccccc1COc1cc(cc(Cl)c1F)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O;Fc1c(Cl)cc(cc1OCc2ccccc2Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl","InChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37)","","2021-03-30","2021-06-25","5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GJW","7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one","C16 H17 N3 O","O=C3c4cccn4c1c(cc(cc1)CN2CCCC2)N3;O=C1Nc2cc(CN3CCCC3)ccc2n4cccc14;c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4","InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)","","2009-03-17","2011-06-04","7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one",""],["GJX","(1S,3R)-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one","C24 H26 N4 O4","[O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)C34CC5C[CH](C3)C(=O)[CH](C5)C4)c6cccnc16;c1cc2c(ccc(c2nc1)[N+](=O)[O-])N3CCN(CC3)C(=O)C45CC6CC(C4)C(=O)C(C6)C5","InChI=1S/C24H26N4O4/c29-22-16-10-15-11-17(22)14-24(12-15,13-16)23(30)27-8-6-26(7-9-27)19-3-4-20(28(31)32)21-18(19)2-1-5-25-21/h1-5,15-17H,6-14H2/t15-,16-,17+,24-","","2020-09-02","2024-08-09","(1~{S},3~{R})-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one","2024-08-14"],["YSK","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid","C22 H20 F N3 O5 S","C[CH](c1noc(C)n1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;Cc1nc(no1)C(C)c2cccc3c2[nH]c(c3c4ccc(c(c4)F)CS(=O)(=O)C)C(=O)O","InChI=1S/C22H20FN3O5S/c1-11(21-24-12(2)31-26-21)15-5-4-6-16-18(20(22(27)28)25-19(15)16)13-7-8-14(17(23)9-13)10-32(3,29)30/h4-9,11,25H,10H2,1-3H3,(H,27,28)/t11-/m0/s1","","2023-06-20","2024-07-05","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YSL","(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C30 H50 O3","CCCCCC[CH](CCO)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCCCCCC(CCO)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C30H50O3/c1-5-6-7-8-10-24(16-18-31)21(2)26-14-15-27-25(11-9-17-30(26,27)4)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,31-33H,3,5-11,14-20H2,1-2,4H3/b25-13+/t21-,24+,26-,27+,28-,29-,30-/m1/s1","","2015-07-08","2015-11-13","(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2015-11-18"],["GJY","methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate","C19 H34 F O2 P","O=P(OC)(F)CCCCCCCCC=C/CC=C/C[C@H]=[C@H]CC;CCC=CCC=CCC=CCCCCCCCC[P](F)(=O)OC;CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F","InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1","Methyl alpha-Linolenyl Fluorophosphonate (MLnFP)","2018-05-24","2024-09-27","methyl (S)-(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ylphosphonofluoridate","2019-03-27"],["YSM","5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","C27 H18 Cl F N4 O4","Fc1cccc(c1)COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O;Fc1cccc(COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)c1;c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O","InChI=1S/C27H18ClFN4O4/c28-19-8-17(9-22(11-19)37-15-16-3-1-4-20(29)7-16)23-10-18(24-13-31-27(36)32-25(24)34)14-33(26(23)35)21-5-2-6-30-12-21/h1-14H,15H2,(H2,31,32,34,36)","","2021-03-30","2021-06-25","5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GJZ","(1R,2S)-2-phenylcyclopropanamine","C9 H11 N","c1cccc(c1)C2CC2N;N[CH]1C[CH]1c2ccccc2;c1ccc(cc1)C2CC2N","InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1","","2010-04-01","2011-06-04","(1R,2S)-2-phenylcyclopropanamine",""],["YSO","3-AMINO-1H-INDAZOLE-4-CARBONITRILE","C8 H6 N4","N#Cc1cccc2c1c(nn2)N;Nc1n[nH]c2cccc(C#N)c12;c1cc(c2c(c1)[nH]nc2N)C#N","InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)","","2013-02-04","2014-09-05","3-amino-1H-indazole-4-carbonitrile","2013-05-22"],["GK0","3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide","C14 H12 N2 O7","Oc1cc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O;c1c(cc(c(c1O)O)O)C=NNC(=O)c2cc(c(c(c2)O)O)O","InChI=1S/C14H12N2O7/c17-8-1-6(2-9(18)12(8)21)5-15-16-14(23)7-3-10(19)13(22)11(20)4-7/h1-5,17-22H,(H,16,23)/b15-5+","","2015-11-17","2016-08-24","3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide","2016-08-31"],["YSP","5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","C28 H21 Cl N4 O4","Cc1ccccc1COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O;Cc1ccccc1COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O","InChI=1S/C28H21ClN4O4/c1-17-5-2-3-6-18(17)16-37-23-10-19(9-21(29)12-23)24-11-20(25-14-31-28(36)32-26(25)34)15-33(27(24)35)22-7-4-8-30-13-22/h2-15H,16H2,1H3,(H2,31,32,34,36)","","2021-03-30","2021-06-25","5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GK1","4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde","C20 H15 N3 O2 S","O=Cc4nc(c3ccc2c(nccc2Nc1cc(O)ccc1C)c3)cs4;Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4csc(C=O)n4;Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O","InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)","","2007-10-15","2011-06-04","4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde",""],["YSQ","4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)","C29 H25 N7 O2","O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21;C[n+]1ccc(C=NNC(=O)c2cccc(n2)C(=O)NN=Cc3cc[n+](C)c4ccccc34)c5ccccc15;C[n+]1ccc(c2c1cccc2)C=NNC(=O)c3cccc(n3)C(=O)NN=Cc4cc[n+](c5c4cccc5)C","InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2","","2023-02-17","2024-02-09","4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)","2024-02-14"],["GK2","[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid","C9 H19 B N2 O3","CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O;B(C1CCCN1C(=O)C(C(C)C)N)(O)O","InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1","","2018-09-19","2024-09-27","[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid","2019-07-31"],["GK3","N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide","C24 H18 N4 O2","N#Cc1cccc(c1)NC(=O)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4;Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)Nc4cccc(c4)C#N;Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C","InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)","","2007-10-15","2011-06-04","N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide",""],["YSR","7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","C26 H28 N6 O6 S","C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(c5)C#N;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)C#N)NS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CN5CC(C5)N","InChI=1S/C26H28N6O6S/c1-14(32-13-18(38-26(32)35)12-31-10-17(28)11-31)19-4-3-5-20-22(24(25(33)34)29-23(19)20)15-6-7-21(16(8-15)9-27)30-39(2,36)37/h3-8,14,17-18,29-30H,10-13,28H2,1-2H3,(H,33,34)/t14-,18?/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YSS","15R-methyl-prostaglandin D2","C21 H34 O5","OC1CC(=O)C(/C=C/C(C)(O)CCCCC)C1CC=C/CCCC(=O)O;CCCCC[C](C)(O)C=C[CH]1[CH](CC=CCCCC(O)=O)[CH](O)CC1=O;CCCCCC(C)(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O","InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1","(5Z,13E,15R,16E)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13,16-trien-1-oic acid","2021-03-31","2021-08-20","(5Z,13E,15R)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13-dien-1-oic acid","2021-08-25"],["GK4","N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide","C21 H21 N3 O2","O=C(NCC1CC1)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4;Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4;Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C","InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)","","2007-10-15","2011-06-04","N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide",""],["GK5","N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide","C22 H24 N2 O2","O=C(c3cc(c2ccc(C(=O)NCC1CC1)cc2)c(cc3)C)NC4CC4;Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4;Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4","InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)","N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide","2008-05-27","2020-06-17","N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide",""],["YSU","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","C18 H22 N4 O10 S","N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;c1cc(ccc1CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)N)O","InChI=1S/C18H22N4O10S/c19-11(7-9-1-3-10(23)4-2-9)16(27)21-33(29,30)31-8-12-14(25)15(26)17(32-12)22-6-5-13(24)20-18(22)28/h1-6,11-12,14-15,17,23,25-26H,7-8,19H2,(H,21,27)(H,20,24,28)/t11-,12+,14+,15+,17+/m0/s1","","2018-08-10","2019-04-12","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","2019-04-17"],["YSV","(1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-\nmethylenecyclohexane-1,3-diol","C27 H44 O3","OC(C)(C)CCCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1","2-methylidene-19-nor-1alpha,25-dihydroxyvitamin D3","2016-03-30","2020-06-17","(1R,3R,7E,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2016-12-07"],["GK6","N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide","C28 H30 N4 O3","O=C(NCC1CC1)c2ccc(cc2)c3c(ccc(c3)NC(=O)c4cc(ncc4)N5CCOCC5)C;Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1c4ccc(cc4)C(=O)NCC5CC5;Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5","InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)","N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-3-biphenylyl)-2-(4-morpholinyl)-4-pyridinecarboxamide","2008-05-27","2020-06-17","N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide",""],["GK7","methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate","C40 H55 N7 O10 S","c6(OC1CC2C(=O)NC3(C(C=CCCCCCC(C(N2C1)=O)NC(=O)C(NC(OC)=O)C(C)(C)C)C3)C(NS(C4(CC4)C)(=O)=O)=O)nc5cc(OC)ccc5nc6C;COC(=O)N[CH](C(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C)CC6)C(C)(C)C;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)C(C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C40H55N7O10S/c1-23-34(43-29-19-25(55-6)15-16-27(29)41-23)57-26-20-30-32(48)45-40(36(51)46-58(53,54)39(5)17-18-39)21-24(40)13-11-9-8-10-12-14-28(35(50)47(30)22-26)42-33(49)31(38(2,3)4)44-37(52)56-7/h11,13,15-16,19,24,26,28,30-31H,8-10,12,14,17-18,20-22H2,1-7H3,(H,42,49)(H,44,52)(H,45,48)(H,46,51)/b13-11-/t24-,26-,28+,30+,31-,40-/m1/s1","","2018-05-24","2019-12-11","methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate","2019-07-31"],["YSW","(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate","C29 H58 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC","InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m0/s1","","2023-02-17","2023-03-17","(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate","2023-03-22"],["GK8","{[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl","C6 H13 As N3 O4","n1cc(nc1)CC(N)CO[As](O)(O)O;N[CH](CO[As](O)(O)O)Cc1[nH]cnc1;c1c([nH]cn1)CC(CO[As](O)(O)O)N","InChI=1S/C6H14AsN3O4/c8-5(3-14-7(11,12)13)1-6-2-9-4-10-6/h2,4-5,7,11-13H,1,3,8H2,(H,9,10)/t5-/m0/s1","","2012-08-27","2013-02-22","5-{(2S)-2-amino-3-[(trihydroxy-lambda~5~-arsanyl)oxy]propyl}-1H-imidazole","2013-02-22"],["YSX","7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H27 F N4 O6 S","C[CH](N1C(=O)CN(CCCN)C1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4C(=O)CN(C4=O)CCCN","InChI=1S/C25H27FN4O6S/c1-14(30-20(31)12-29(25(30)34)10-4-9-27)17-5-3-6-18-21(23(24(32)33)28-22(17)18)15-7-8-16(19(26)11-15)13-37(2,35)36/h3,5-8,11,14,28H,4,9-10,12-13,27H2,1-2H3,(H,32,33)/t14-/m0/s1","","2023-06-20","2024-07-05","7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YSY","4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile","C13 H10 F N3","N#Cc1ccc(C2CCc3cncn32)c(F)c1;Fc1cc(ccc1[CH]2CCc3cncn23)C#N;c1cc(c(cc1C#N)F)C2CCc3n2cnc3","InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1","Osilodrostat","2021-03-31","2021-06-11","4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile","2021-06-16"],["GK9","1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline","C16 H14 Cl N3 O2","c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4;COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34;COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl","InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3","","2017-12-15","2018-06-22","1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline","2018-06-27"],["GKA","(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl\ncyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz\nacyclopentadecine-14a(5H)-carboxamide","C40 H55 N7 O9 S","c2(nc1cc(OC)ccc1nc2C)OC3CN5C(C3)C(NC6(C(NS(C4(C)CC4)(=O)=O)=O)C(C=CCCCCCC(C5=O)NC(C(NC(C)=O)C(C)(C)C)=O)C6)=O;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)[CH](NC(C)=O)C(C)(C)C)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)C(C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C40H55N7O9S/c1-23-35(44-30-19-26(55-7)15-16-28(30)41-23)56-27-20-31-33(49)45-40(37(52)46-57(53,54)39(6)17-18-39)21-25(40)13-11-9-8-10-12-14-29(36(51)47(31)22-27)43-34(50)32(38(3,4)5)42-24(2)48/h11,13,15-16,19,25,27,29,31-32H,8-10,12,14,17-18,20-22H2,1-7H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t25-,27-,29+,31+,32-,40-/m1/s1","P4-P5-2 (AJ-67)","2018-05-24","2020-06-17","(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide","2019-07-31"],["YT0","[1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}-3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile","C19 H26 N8 S","Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)N2CCN(C)CC2)sn1;CN1CCN(CC1)C2(CC#N)CN(C2)c3nc(Nc4snc(C)c4)ncc3C;Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(CC#N)N4CCN(CC4)C)C","InChI=1S/C19H26N8S/c1-14-11-21-18(22-16-10-15(2)24-28-16)23-17(14)26-12-19(13-26,4-5-20)27-8-6-25(3)7-9-27/h10-11H,4,6-9,12-13H2,1-3H3,(H,21,22,23)","","2023-02-20","2023-06-16","[1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}-3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile","2023-06-21"],["YT1","PB28","C24 H38 N2 O","COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1;COc1cccc2[CH](CCCN3CCN(CC3)C4CCCCC4)CCCc12;COc1cccc2c1CCCC2CCCN3CCN(CC3)C4CCCCC4","InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1","1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine","2021-03-31","2021-12-10","1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine","2021-12-15"],["GKB","(2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide","C25 H21 F3 N6 O","Cc1cn(cn1)c2cc(NC(=O)c3ccc4C[CH](Cc4c3)Nc5cncnc5)cc(c2)C(F)(F)F;Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)CC(C4)Nc5cncnc5)C(F)(F)F","InChI=1S/C25H21F3N6O/c1-15-12-34(14-31-15)23-8-19(25(26,27)28)7-21(9-23)33-24(35)17-3-2-16-5-20(6-18(16)4-17)32-22-10-29-13-30-11-22/h2-4,7-14,20,32H,5-6H2,1H3,(H,33,35)/t20-/m1/s1","","2018-09-19","2019-01-25","(2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide","2019-01-30"],["GKC","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","C19 H34 O11","OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)COC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C19H34O11/c20-6-10-12(22)13(23)15(25)19(28-10)30-17-11(7-21)29-18(16(26)14(17)24)27-8-9-4-2-1-3-5-9/h9-26H,1-8H2/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1","","2020-09-03","2021-02-12","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","2021-02-17"],["YT2","(1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol","C28 H32 N8 O","NC1c2ccccc2CC21CCN(CC2)c1nc2[NH]nc(c2nc1C(C)O)N1CCCc2ncccc21;C[CH](O)c1nc2c([nH]nc2N3CCCc4ncccc34)nc1N5CCC6(CC5)Cc7ccccc7[CH]6N;CC(c1c(nc2c(n1)c(n[nH]2)N3CCCc4c3cccn4)N5CCC6(CC5)Cc7ccccc7C6N)O","InChI=1S/C28H32N8O/c1-17(37)22-26(35-14-10-28(11-15-35)16-18-6-2-3-7-19(18)24(28)29)32-25-23(31-22)27(34-33-25)36-13-5-8-20-21(36)9-4-12-30-20/h2-4,6-7,9,12,17,24,37H,5,8,10-11,13-16,29H2,1H3,(H,32,33,34)/t17-,24+/m0/s1","","2023-06-20","2023-10-06","(1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol","2023-10-11"],["YT3","YTTRIUM (III) ION","Y","[Y+3];[Y+3];[Y+3]","InChI=1S/Y/q+3","","2001-10-29","2011-06-04","yttrium",""],["GKD","GUANOSINE 5'-DIPHOSPHATE-4-KETO-BETA-L-GULOSE","C16 H23 N5 O16 P2","O=C1C(O)C(O)C(OC1CO)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)C(=O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(=O)C(O4)CO)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H23N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,8-11,14-15,22,24-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,8+,9-,10+,11-,14+,15+/m0/s1","","2005-10-25","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["YT4","methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate","C12 H15 N O4 S","COC(=O)[CH](CS)NC(=O)OCc1ccccc1;COC(=O)C(CS)NC(=O)OCc1ccccc1","InChI=1S/C12H15NO4S/c1-16-11(14)10(8-18)13-12(15)17-7-9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3,(H,13,15)/t10-/m0/s1","","2018-03-20","2019-03-15","methyl (2~{R})-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate","2019-03-20"],["GKE","GUANOSINE 5'-DIPHOSPHATE-BETA-L-GULOSE","C16 H25 N5 O16 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9-,10+,11-,14+,15+/m0/s1","","2005-10-25","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["YT5","Moiramide B","C25 H31 N3 O5","CC=CC=CC(=O)N[CH](CC(=O)N[CH](C(C)C)C(=O)[CH]1[CH](C)C(=O)NC1=O)c2ccccc2;CC=CC=CC(=O)NC(CC(=O)NC(C(C)C)C(=O)C1C(C(=O)NC1=O)C)c2ccccc2","InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1","(2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxi\ndanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide","2016-06-09","2020-06-17","(2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide","2016-08-10"],["GKF","3-iodanyl-1~{H}-indazole-7-carbaldehyde","C8 H5 I N2 O","Ic1n[nH]c2c(C=O)cccc12;c1cc(c2c(c1)c(n[nH]2)I)C=O","InChI=1S/C8H5IN2O/c9-8-6-3-1-2-5(4-12)7(6)10-11-8/h1-4H,(H,10,11)","","2020-09-03","2024-09-27","3-iodanyl-1~{H}-indazole-7-carbaldehyde","2020-09-16"],["GKG","1,1,1-trifluoro-2-methylpropan-2-yl\n[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,\n16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-\nyl]carbamate","C37 H47 F3 N6 O9 S","C2CCCC=CC6C(NC(C1CC(CN1C(C(C2)NC(=O)OC(C)(C(F)(F)F)C)=O)Oc4nc3cc(OC)ccc3nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC(C)(C)C(F)(F)F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C37H47F3N6O9S/c1-21-30(42-27-17-23(53-5)13-14-25(27)41-21)54-24-18-28-29(47)44-36(32(49)45-56(51,52)35(4)15-16-35)19-22(36)11-9-7-6-8-10-12-26(31(48)46(28)20-24)43-33(50)55-34(2,3)37(38,39)40/h9,11,13-14,17,22,24,26,28H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t22-,24-,26+,28+,36-/m1/s1","P4-1 (AJ-71)","2018-05-24","2020-06-17","1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2019-07-31"],["YT7","Roluperidone","C22 H23 F N2 O2","O=C(CN1CCC(CC1)CN1Cc2ccccc2C1=O)c1ccc(F)cc1;Fc1ccc(cc1)C(=O)CN2CCC(CC2)CN3Cc4ccccc4C3=O;c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F","InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2","2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one; MIN-101","2021-03-31","2021-12-10","2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one","2021-12-15"],["GKH","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate","C23 H20 N8 O8 S3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4csc(C=Cc5sc6cc(O)ccc6n5)n4)[CH](O)[CH]3O;c1cc2c(cc1O)sc(n2)C=Cc3nc(cs3)C(=O)NS(=O)(=O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C23H20N8O8S3/c24-20-17-21(26-8-25-20)31(9-27-17)23-19(34)18(33)13(39-23)6-38-42(36,37)30-22(35)12-7-40-15(29-12)3-4-16-28-11-2-1-10(32)5-14(11)41-16/h1-5,7-9,13,18-19,23,32-34H,6H2,(H,30,35)(H2,24,25,26)/b4-3+/t13-,18-,19-,23-/m1/s1","","2018-09-21","2019-10-18","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate","2019-10-23"],["YT8","3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol","C15 H19 N5 O S","Cc1cc(Nc2ncc(C)c(n2)N2CC(O)(C2)C2CC2)sn1;Cc1cc(Nc2ncc(C)c(n2)N3CC(O)(C3)C4CC4)sn1;Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(C4CC4)O)C","InChI=1S/C15H19N5OS/c1-9-6-16-14(17-12-5-10(2)19-22-12)18-13(9)20-7-15(21,8-20)11-3-4-11/h5-6,11,21H,3-4,7-8H2,1-2H3,(H,16,17,18)","","2023-02-21","2023-06-16","3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol","2023-06-21"],["YT9","3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol","C7 H15 B N O6","OCC1(N)CO[B-]2(OCC(O)CO2)OC1;N[C]1(CO)CO[B-]2(OC[CH](O)CO2)OC1;[B-]12(OCC(CO1)O)OCC(CO2)(CO)N","InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1","","2023-06-20","2023-10-27","[(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-)","2023-11-01"],["GKI","1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","C19 H28 N4 O S","CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3;Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C","InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3","","2022-02-03","2022-09-23","1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["YTA","yatakemycin-adenine nucleobase adduct","C40 H34 N10 O8 S","N9=CN(CC7CN(C(c1nc2cc(OC)c(cc2c1)O)=O)c6cc(O)c8nc(C(=O)N3c5c(CC3)c4cc(nc4c(c5O)OC)C(=O)SC)cc8c67)C=%10C(=C9N)N=CN=%10;COc1cc2[nH]c(cc2cc1O)C(=O)N3C[CH](Cn4cnc(N)c5ncnc45)c6c3cc(O)c7[nH]c(cc67)C(=O)N8CCc9c%10cc([nH]c%10c(OC)c(O)c89)C(=O)SC;COc1cc2c(cc1O)cc([nH]2)C(=O)N3CC(c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N","InChI=1S/C40H34N10O8S/c1-57-28-10-21-16(7-26(28)51)6-22(45-21)39(55)50-13-17(12-48-15-44-36(41)32-37(48)43-14-42-32)29-20-9-23(46-30(20)27(52)11-25(29)50)38(54)49-5-4-18-19-8-24(40(56)59-3)47-31(19)35(58-2)34(53)33(18)49/h6-11,14-15,17,45-47,51-53H,4-5,12-13,41H2,1-3H3/t17-/m1/s1","","2017-02-20","2017-07-14","S-methyl 6-[(8R)-8-[(6-amino-3H-purin-3-yl)methyl]-4-hydroxy-6-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl]-5-hydroxy-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbothioate","2017-07-19"],["GKJ","pentyl\n[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,\n16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-\nyl]carbamate","C38 H52 N6 O9 S","c2(c(C)nc1c(cc(cc1)OC)n2)OC4CC5C(NC6(C(NS(C3(CC3)C)(=O)=O)=O)C(C=CCCCCCC(C(N5C4)=O)NC(=O)OCCCCC)C6)=O;CCCCCOC(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C)CC6;CCCCCOC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C38H52N6O9S/c1-5-6-12-19-52-36(48)41-29-14-11-9-7-8-10-13-25-22-38(25,35(47)43-54(49,50)37(3)17-18-37)42-32(45)31-21-27(23-44(31)34(29)46)53-33-24(2)39-28-16-15-26(51-4)20-30(28)40-33/h10,13,15-16,20,25,27,29,31H,5-9,11-12,14,17-19,21-23H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b13-10-/t25-,27-,29+,31+,38-/m1/s1","P4-2 (JZ01-19)","2018-05-24","2020-06-17","pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2019-07-31"],["GKK","2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile","C20 H19 Cl F3 N3","FC(F)(F)c1c(cccc1)CN(c2ccc(C#N)c(Cl)c2)C3CCN(C)C3;CN1CC[CH](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(C#N)c(Cl)c3;CN1CCC(C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N","InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1","","2009-02-26","2011-06-04","2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile",""],["YTB","(1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol","C5 H11 N O4","OC1C(N)C(O)C(O)C1O;N[CH]1[CH](O)[CH](O)[CH](O)[CH]1O;C1(C(C(C(C1O)O)O)O)N","InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2-,3-,4+,5-/m1/s1","","2008-07-25","2011-06-04","(1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol",""],["GKL","N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine","C12 H26 N2 O3","O=C(O)C(NCC(O)C(N)CC(C)C)C(C)C;CC(C)C[CH](N)[CH](O)CN[CH](C(C)C)C(O)=O;CC(C)CC(C(CNC(C(C)C)C(=O)O)O)N","InChI=1S/C12H26N2O3/c1-7(2)5-9(13)10(15)6-14-11(8(3)4)12(16)17/h7-11,14-15H,5-6,13H2,1-4H3,(H,16,17)/t9-,10-,11-/m0/s1","","2010-09-28","2012-01-13","N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine",""],["YTC","(3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one","C22 H24 O7","COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CC2C(COC2=O)Cc3ccc4c(c3)OCO4","InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m1/s1","","2021-03-18","2021-12-10","(3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one","2021-12-15"],["GKM","1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C39 H52 N6 O9 S","C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCCC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1","P4-3(AJ-74)","2018-05-24","2021-03-01","1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2019-07-31"],["YTD","6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one","C21 H26 N2 O2","CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1;CN1C(=O)CCc2cc(CNC(C)(C)[CH](O)c3ccccc3)ccc12;CC(C)(C(c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C","InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1","","2021-03-31","2021-12-10","6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one","2021-12-15"],["GKN","3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid","C20 H23 N O3","CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(CCC(O)=O)cc2;CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O","InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(24)21-17-11-4-14(5-12-17)6-13-18(22)23/h4-5,7-12H,6,13H2,1-3H3,(H,21,24)(H,22,23)","","2018-09-23","2018-11-23","3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid","2018-11-28"],["YTF","ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate","C9 H18 N2 O3","CCOC(=O)CC[CH](N)CCC(N)=O;CCOC(=O)CCC(CCC(=O)N)N","InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1","","2023-02-21","2024-09-27","ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate","2023-03-01"],["YTG","N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide","C26 H24 Cl N3 O3","Clc1ccc(cc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)Cc1c[NH]c2ccc(O)cc21;CN(C(=O)[CH](Cc1ccccc1)NC(=O)Cc2c[nH]c3ccc(O)cc23)c4ccc(Cl)cc4;CN(c1ccc(cc1)Cl)C(=O)C(Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O","InChI=1S/C26H24ClN3O3/c1-30(20-9-7-19(27)8-10-20)26(33)24(13-17-5-3-2-4-6-17)29-25(32)14-18-16-28-23-12-11-21(31)15-22(18)23/h2-12,15-16,24,28,31H,13-14H2,1H3,(H,29,32)/t24-/m0/s1","","2021-03-31","2022-04-01","N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide","2022-04-06"],["GKO","(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide","C22 H27 N7 O2","CN1CCN(C[CH]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N;CN1CCN(CC1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N","InChI=1S/C22H27N7O2/c1-3-4-5-10-24-21(30)17-6-8-18(9-7-17)29-14-20(25-16-29)26-22(31)19-13-28(15-23)12-11-27(19)2/h1,6-9,14-16,19,23H,4-5,10-13H2,2H3,(H,24,30)(H,26,31)","","2023-07-21","2024-09-27","(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide","2024-01-31"],["YTH","O-phosphono-L-allothreonine","C4 H10 N O6 P","O=P(OC(C)C(N)C(=O)O)(O)O;C[CH](O[P](O)(O)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OP(=O)(O)O","InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1","","2014-10-07","2024-09-27","O-phosphono-L-allothreonine","2014-12-03"],["GKP","(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid","C22 H18 O12","c1c(cc(c(c1)O)O)[C@H]=CC(=O)OC(C(=O)O)C(OC([C@H]=[C@H]c2ccc(c(c2)O)O)=O)C(=O)O;OC(=O)[CH](OC(=O)C=Cc1ccc(O)c(O)c1)[CH](OC(=O)C=Cc2ccc(O)c(O)c2)C(O)=O;c1cc(c(cc1C=CC(=O)OC(C(C(=O)O)OC(=O)C=Cc2ccc(c(c2)O)O)C(=O)O)O)O","InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1","","2018-05-24","2018-09-28","(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid","2018-10-03"],["YTI","(3R,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl dihydrogen phosphate","C9 H13 N2 O7 P","O=P(O)(O)OC1COC(C1)N1C=C(C)C(=O)NC1=O;CC1=CN([CH]2C[CH](CO2)O[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(CO2)OP(=O)(O)O","InChI=1S/C9H13N2O7P/c1-5-3-11(9(13)10-8(5)12)7-2-6(4-17-7)18-19(14,15)16/h3,6-7H,2,4H2,1H3,(H,10,12,13)(H2,14,15,16)/t6-,7-/m1/s1","","2023-06-20","2024-08-23","(3R,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl dihydrogen phosphate","2024-08-28"],["GKQ","~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide","C21 H23 Cl N4 O","Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1;c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4","InChI=1S/C21H23ClN4O/c22-18-5-3-4-16(12-18)14-23-21(27)17-6-7-20-19(13-17)24-15-26(20)11-10-25-8-1-2-9-25/h3-7,12-13,15H,1-2,8-11,14H2,(H,23,27)","","2018-09-23","2018-11-23","~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide","2018-11-28"],["GKR","D-GLUCARATE","C6 H8 O8","[O-]C(=O)C(O)C(O)C(O)C(O)C([O-])=O;O[CH]([CH](O)[CH](O)C([O-])=O)[CH](O)C([O-])=O;C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O","InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1","","2001-06-26","2011-06-04","(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",""],["YTJ","2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile","C26 H20 Cl N3 O3","N#Cc1ccccc1C1=CN(c2cnccc2)C(=O)C(=C1)c1cc(OCCOC)cc(Cl)c1;COCCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N;COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N","InChI=1S/C26H20ClN3O3/c1-32-9-10-33-23-12-19(11-21(27)14-23)25-13-20(24-7-3-2-5-18(24)15-28)17-30(26(25)31)22-6-4-8-29-16-22/h2-8,11-14,16-17H,9-10H2,1H3","","2021-03-31","2021-06-25","2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile","2021-06-30"],["GKS","1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol","C11 H19 N4 O14 P3","P(=O)(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)CC2=C(C(NC(=N2)N)=O)NC=O)(O)=O;NC1=NC(=C(NC=O)C(=O)N1)C[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(OC(C1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O","InChI=1S/C11H19N4O14P3/c12-11-14-6(9(13-4-16)10(18)15-11)1-5-2-7(17)8(27-5)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h4-5,7-8,17H,1-3H2,(H,13,16)(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,7-,8+/m0/s1","","2018-05-25","2019-01-25","1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol","2019-01-30"],["YTL","(2~{S})-2-(2-azanylethanoyloxy)-3-(4-hydroxyphenyl)propanoic acid","C11 H13 N O5","NCC(=O)O[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)OC(=O)CN)O","InChI=1S/C11H13NO5/c12-6-10(14)17-9(11(15)16)5-7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,12H2,(H,15,16)/t9-/m0/s1","","2023-02-21","2025-03-21","(2~{S})-2-(2-azanylethanoyloxy)-3-(4-hydroxyphenyl)propanoic acid","2025-03-26"],["GKT","3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide","C21 H23 I N4 O","Cc1ccc(cc1I)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2;Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4","InChI=1S/C21H23IN4O/c1-14-5-6-15(11-17(14)22)21(27)23-16-7-8-18-19(12-16)25-20(24-18)13-26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,27)(H,24,25)","","2018-09-24","2018-11-23","3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide","2018-11-28"],["YTM","5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione","C28 H21 Cl N4 O4","O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCc3ccccc3)cc(Cl)c2)C(=O)N1;Clc1cc(OCCc2ccccc2)cc(c1)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O","InChI=1S/C28H21ClN4O4/c29-21-11-19(12-23(14-21)37-10-8-18-5-2-1-3-6-18)24-13-20(25-16-31-28(36)32-26(25)34)17-33(27(24)35)22-7-4-9-30-15-22/h1-7,9,11-17H,8,10H2,(H2,31,32,34,36)","","2021-03-31","2021-06-25","5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["YTN","(3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one","C22 H24 O7","COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CC2C(COC2=O)Cc3ccc4c(c3)OCO4","InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1","","2021-02-17","2021-12-10","(3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one","2021-12-15"],["GKU","4-[(2R)-2-(methylamino)propyl]phenol","C10 H15 N O","CN[CH](C)Cc1ccc(O)cc1;CC(Cc1ccc(cc1)O)NC","InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1","","2020-09-04","2021-08-27","4-[(2~{R})-2-(methylamino)propyl]phenol","2021-09-01"],["YTO","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{R})-1-(1~{H}-1,2,3-triazol-5-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid","C22 H21 F N4 O5 S","C[CH](OCc1[nH]nnc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)OCc4cnn[nH]4","InChI=1S/C22H21FN4O5S/c1-12(32-10-15-9-24-27-26-15)16-4-3-5-17-19(21(22(28)29)25-20(16)17)13-6-7-14(18(23)8-13)11-33(2,30)31/h3-9,12,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27)/t12-/m1/s1","","2023-06-21","2024-07-05","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{R})-1-(1~{H}-1,2,3-triazol-5-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GKW","1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide","C17 H16 N2 O3","COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1;COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO","InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)","","2018-09-25","2018-10-26","1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide","2018-10-31"],["GKX","(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid","C20 H29 N O3","OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2CCCCC2;c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCC2CCCCC2","InChI=1S/C20H29NO3/c22-19(14-8-7-11-16-9-3-1-4-10-16)21-18(20(23)24)15-17-12-5-2-6-13-17/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,21,22)(H,23,24)/t18-/m0/s1","","2020-09-04","2021-09-03","(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid","2021-09-08"],["YTP","1-(4-hydroxy-3-methylphenyl)ethanone","C9 H10 O2","O=C(c1ccc(O)c(c1)C)C;CC(=O)c1ccc(O)c(C)c1;Cc1cc(ccc1O)C(=O)C","InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3","","2010-09-07","2011-08-26","1-(4-hydroxy-3-methylphenyl)ethanone",""],["GKY","N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine","C23 H33 N O2","c1(ccc(c(c1)OCCc2ccccc2)OC)CCN(CCC)CCC;CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1;CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC","InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3","","2018-05-29","2018-10-12","N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine","2018-10-17"],["YTR","7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one","C13 H15 N O3","O=C2C=C(c1c(c(OC)c(OC)cc1)N2C)C;COc1ccc2C(=CC(=O)N(C)c2c1OC)C;CC1=CC(=O)N(c2c1ccc(c2OC)OC)C","InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3","","2010-06-29","2012-01-06","7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one",""],["YTS","5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","C26 H23 Cl N6 O5","O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(OCCN2CC(=O)NCC2)cc(Cl)c1;Clc1cc(OCCN2CCNC(=O)C2)cc(c1)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O","InChI=1S/C26H23ClN6O5/c27-18-8-16(9-20(11-18)38-7-6-32-5-4-29-23(34)15-32)21-10-17(22-13-30-26(37)31-24(22)35)14-33(25(21)36)19-2-1-3-28-12-19/h1-3,8-14H,4-7,15H2,(H,29,34)(H2,30,31,35,37)","","2021-03-31","2021-06-25","5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GKZ","1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide","C24 H28 Cl N4 O3","Cc1n[nH]c(c2ccc(OCC[NH+]3CCC(CC3)C(N)=O)cc2O)c1c4ccc(Cl)cc4;Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl","InChI=1S/C24H27ClN4O3/c1-15-22(16-2-4-18(25)5-3-16)23(28-27-15)20-7-6-19(14-21(20)30)32-13-12-29-10-8-17(9-11-29)24(26)31/h2-7,14,17,30H,8-13H2,1H3,(H2,26,31)(H,27,28)/p+1","","2018-09-28","2019-02-22","1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide","2019-02-27"],["GL0","beta-D-gulopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1","beta-D-gulose; D-gulose; gulose","2008-03-25","2020-07-17","beta-D-gulopyranose",""],["YTT","(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione","C18 H18 N2 O4","O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3ccc(O)cc3;Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O)O","InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1","cyclo(tyrosyl-tyrosyl); Cyclo(tyr-tyr)","2009-03-12","2021-03-13","(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione",""],["GL1","1-O-phosphono-alpha-D-galactopyranose","C6 H13 O9 P","O=P(OC1OC(C(O)C(O)C1O)CO)(O)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1","ALPHA-D-GALACTOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-galactose; 1-O-phosphono-D-galactose; 1-O-phosphono-galactose","2005-04-14","2020-07-17","1-O-phosphono-alpha-D-galactopyranose",""],["YTU","(8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C19 H14 F3 N5 O","FC(F)(F)C1=CC(=O)n2nc(nc2N1)NCc1ccc(cc1)c1ccccc1;FC(F)(F)C1=CC(=O)n2nc(NCc3ccc(cc3)c4ccccc4)nc2N1;c1ccc(cc1)c2ccc(cc2)CNc3nc4n(n3)C(=O)C=C(N4)C(F)(F)F","InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-16(28)27-18(24-15)25-17(26-27)23-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,23,24,25,26)","","2023-02-21","2024-02-16","(8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["GL2","(5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione","C8 H13 N3 O7","O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)N;NN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O;C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)N)O)O)O)O","InChI=1S/C8H13N3O7/c9-11-6(16)8(10-7(11)17)5(15)4(14)3(13)2(1-12)18-8/h2-5,12-15H,1,9H2,(H,10,17)/t2-,3-,4+,5-,8+/m1/s1","3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE","2000-09-15","2020-07-17","(5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",""],["YTV","5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione","C25 H23 Cl N4 O5","CC(C)(O)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O;CC(C)(O)CCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O;CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O","InChI=1S/C25H23ClN4O5/c1-25(2,34)5-7-35-19-9-15(8-17(26)11-19)20-10-16(21-13-28-24(33)29-22(21)31)14-30(23(20)32)18-4-3-6-27-12-18/h3-4,6,8-14,34H,5,7H2,1-2H3,(H2,28,29,31,33)","","2021-03-31","2021-06-25","5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GL3","THIOGLYCIN","C2 H5 N O S","O=C(S)CN;NCC(S)=O;C(C(=O)S)N","InChI=1S/C2H5NOS/c3-1-2(4)5/h1,3H2,(H,4,5)","","1999-07-08","2024-09-27","aminoethanethioic S-acid",""],["YTW","(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol","C7 H13 N O7 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12;C(C1C(C(C(C2C1OS(=O)(=O)N2)O)O)O)O","InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4+,5+,6+,7+/m1/s1","","2018-11-30","2019-10-04","(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol","2019-10-09"],["YTX","2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid","C9 H10 O4","COc1cc(CC(O)=O)ccc1O;COc1cc(ccc1O)CC(=O)O","InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)","","2016-12-14","2017-05-19","2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid","2017-05-24"],["GL4","(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one","C8 H12 N2 O6 S","O=C2NC(=S)NC21OC(C(O)C(O)C1O)CO;OC[CH]1O[C]2(NC(=S)NC2=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C2(O1)C(=O)NC(=S)N2)O)O)O)O","InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1","8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-THIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DECAN-4-ONE","2000-12-04","2020-07-17","(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one",""],["GL5","(5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione","C8 H12 N2 O8","O=C2N(O)C(=O)NC21OC(C(O)C(O)C1O)CO;OC[CH]1O[C]2(NC(=O)N(O)C2=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)O)O)O)O)O","InChI=1S/C8H12N2O8/c11-1-2-3(12)4(13)5(14)8(18-2)6(15)10(17)7(16)9-8/h2-5,11-14,17H,1H2,(H,9,16)/t2-,3-,4+,5-,8+/m1/s1","3,8,9,10-TETRAHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE","2000-09-15","2020-07-17","(5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",""],["YTY","diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C36 H55 N2 O12 P S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc(cc4)[CH](C)O)cc1)OCC;CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C36H55N2O12PS/c1-6-26(7-2)21-38(52(43,44)30-16-12-28(13-17-30)25(5)39)22-33(40)32(37-36(41)50-34-23-46-35-31(34)18-19-45-35)20-27-10-14-29(15-11-27)47-24-51(42,48-8-3)49-9-4/h10-17,25-26,31-35,39-40H,6-9,18-24H2,1-5H3,(H,37,41)/t25-,31-,32-,33+,34-,35+/m0/s1","","2021-03-31","2022-04-01","diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2022-04-06"],["YTZ","4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide","C9 H9 N3 O2 S2","O=S(=O)(Nc1nccs1)c2ccc(N)cc2;Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2;c1cc(ccc1N)S(=O)(=O)Nc2nccs2","InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)","Sulfathiazole","2011-10-14","2020-06-17","4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide",""],["GL6","N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine","C8 H18 N O8 P","O=P(OC)(OC)NC1OC(C(O)C(O)C1O)CO;CO[P](=O)(N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC;COP(=O)(NC1C(C(C(C(O1)CO)O)O)O)OC","InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1","(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER;\nN-(dimethoxyphosphoryl)-beta-D-glucosylamine; N-(dimethoxyphosphoryl)-D-glucosylamine;\nN-(dimethoxyphosphoryl)-glucosylamine","2004-09-06","2020-07-17","N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine",""],["GL7","8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-3-METHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE","C9 H14 N2 O7","O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)C;CN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O;CN1C(=O)C2(C(C(C(C(O2)CO)O)O)O)NC1=O","InChI=1S/C9H14N2O7/c1-11-7(16)9(10-8(11)17)6(15)5(14)4(13)3(2-12)18-9/h3-6,12-15H,2H2,1H3,(H,10,17)/t3-,4-,5+,6-,9+/m1/s1","","2000-09-18","2020-07-17","(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-3-methyl-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",""],["YU0","3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C20 H23 F N2 O3 S","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(N)O)c(F)c3;CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(C)(N)O)C(=O)O","InChI=1S/C20H23FN2O3S/c1-11(2)14-5-4-6-15-17(19(20(24)25)23-18(14)15)12-7-8-13(16(21)9-12)10-27(3,22)26/h4-9,11,23,26H,10,22H2,1-3H3,(H,24,25)","","2023-06-21","2024-07-05","3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YU2","(3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid","C19 H16 Br N3 O4","Cn1nc(cc1C(=O)O)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1;Cn1nc(cc1C(O)=O)c2cccc(CNC(=O)c3cc(Br)ccc3O)c2;Cn1c(cc(n1)c2cccc(c2)CNC(=O)c3cc(ccc3O)Br)C(=O)O","InChI=1S/C19H16BrN3O4/c1-23-16(19(26)27)9-15(22-23)12-4-2-3-11(7-12)10-21-18(25)14-8-13(20)5-6-17(14)24/h2-9,24H,10H2,1H3,(H,21,25)(H,26,27)","","2023-02-21","2024-02-16","(3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid","2024-02-21"],["GL8","GALANTHAMINE DERIVATIVE","C32 H37 N2 O5","O=C2c1ccccc1C(=O)N2CCCCCCCC[N+]5=Cc6c3c(OC4C3(C=CC(O)C4)CC5)c(OC)cc6;COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C]56C=C[CH](O)C[CH]5Oc1c26;COc1ccc2c3c1OC4C3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=CC(C4)O","InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1","(4AR,6S,8AR)-11-[8-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OCTYL]-6-HYDROXY-3-METHOXY-5,6,9,10-TETRAHYDRO-4AH-[1]BENZOFURO[3A,3,2-EF][2]BENZAZEPIN-11-IUM","2004-07-25","2021-03-13","(4aS,6R,8aS)-11-[8-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium",""],["YU3","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid","C24 H21 F N2 O5 S","C[CH](C1=CC=CNC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)C4=CC=CNC4=O","InChI=1S/C24H21FN2O5S/c1-13(17-7-4-10-26-23(17)28)16-5-3-6-18-20(22(24(29)30)27-21(16)18)14-8-9-15(19(25)11-14)12-33(2,31)32/h3-11,13,27H,12H2,1-2H3,(H,26,28)(H,29,30)/t13-/m0/s1","","2023-06-21","2024-07-05","3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GL9","N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide","C10 H15 N3 O8","O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)NC(=O)C;CC(=O)NN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O;CC(=O)NN1C(=O)C2(C(C(C(C(O2)CO)O)O)O)NC1=O","InChI=1S/C10H15N3O8/c1-3(15)12-13-8(19)10(11-9(13)20)7(18)6(17)5(16)4(2-14)21-10/h4-7,14,16-18H,2H2,1H3,(H,11,20)(H,12,15)/t4-,5-,6+,7-,10+/m1/s1","N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DEC-3-YL-ACETAMIDE","2000-09-15","2020-07-17","N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide",""],["YU4","5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione","C23 H16 Cl F3 N4 O4","FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O;FC(F)(F)CCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O;c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O","InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34)","","2021-03-31","2021-06-25","5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione","2021-06-30"],["GLA","alpha-D-galactopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1","alpha-D-galactose; D-galactose; galactose; ALPHA D-GALACTOSE","1999-07-08","2024-09-27","alpha-D-galactopyranose",""],["YU6","(5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid","C27 H27 Cl N4 O2","Cc1ccc(c(Cl)c1)c1cc2nc([NH]c2c(c1)C(=O)O)CN1CCN(CC1)Cc1ccccc1;Cc1ccc(c(Cl)c1)c2cc3nc(CN4CCN(CC4)Cc5ccccc5)[nH]c3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)nc([nH]3)CN4CCN(CC4)Cc5ccccc5)C(=O)O","InChI=1S/C27H27ClN4O2/c1-18-7-8-21(23(28)13-18)20-14-22(27(33)34)26-24(15-20)29-25(30-26)17-32-11-9-31(10-12-32)16-19-5-3-2-4-6-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,29,30)(H,33,34)","","2023-02-21","2024-02-16","(5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid","2024-02-21"],["GLB","BETA-D-GALACTOSE","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1","","1999-07-08","2008-10-14","beta-D-galactopyranose",""],["YU7","1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide","C18 H15 Cl N2 O2","Clc1ccccc1Cn2cc(c(c2)C(=O)NO)c3ccccc3;ONC(=O)c1cn(Cc2ccccc2Cl)cc1c3ccccc3;c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl","InChI=1S/C18H15ClN2O2/c19-17-9-5-4-8-14(17)10-21-11-15(13-6-2-1-3-7-13)16(12-21)18(22)20-23/h1-9,11-12,23H,10H2,(H,20,22)","","2012-09-27","2014-09-05","1-(2-chlorobenzyl)-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide","2013-10-16"],["GLC","alpha-D-glucopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1","alpha-D-glucose; D-glucose; glucose","1999-07-08","2024-09-27","alpha-D-glucopyranose",""],["YU8","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C26 H28 F N3 O6 S","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C26H28FN3O6S/c1-14(30-13-26(36-25(30)33)9-15(10-26)11-28)18-4-3-5-19-21(23(24(31)32)29-22(18)19)16-6-7-17(20(27)8-16)12-37(2,34)35/h3-8,14-15,29H,9-13,28H2,1-2H3,(H,31,32)/t14-,15-,26+/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GLD","4,6-dideoxy-alpha-D-xylo-hexopyranose","C6 H12 O4","OC1CC(OC(O)C1O)C;C[CH]1C[CH](O)[CH](O)[CH](O)O1;CC1CC(C(C(O1)O)O)O","InChI=1S/C6H12O4/c1-3-2-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1","4,6-DIDEOXYGLUCOSE; 4,6-dideoxy-alpha-D-xylo-hexose; 4,6-dideoxy-D-xylo-hexose; 4,6-dideoxy-xylo-hexose","1999-07-08","2020-07-17","4,6-dideoxy-alpha-D-xylo-hexopyranose",""],["YUA","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C32 H44 N2 O8 S","OC1CCc2cc(ccc21)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5[CH](O)CCc5c4;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O","InChI=1S/C32H44N2O8S/c1-3-21(4-2)18-34(43(38,39)24-11-12-25-23(17-24)10-13-28(25)35)19-29(36)27(16-22-8-6-5-7-9-22)33-32(37)42-30-20-41-31-26(30)14-15-40-31/h5-9,11-12,17,21,26-31,35-36H,3-4,10,13-16,18-20H2,1-2H3,(H,33,37)/t26-,27-,28-,29+,30-,31+/m0/s1","","2021-03-31","2022-08-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2022-08-31"],["GLE","1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL","C16 H32 F3 O6 P","FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC;CCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC;CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC","InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1","","1999-07-08","2011-06-04","(1S)-2-(decyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (S)-phosphate",""],["GLF","alpha-D-glucopyranosyl fluoride","C6 H11 F O5","FC1OC(C(O)C(O)C1O)CO;OC[CH]1O[CH](F)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)F)O)O)O)O","InChI=1S/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1","1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE; alpha-D-glucosyl fluoride; D-glucosyl fluoride; glucosyl fluoride","1999-07-08","2020-07-17","alpha-D-glucopyranosyl fluoride",""],["YUB","(8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C19 H16 Cl F N6 O","Fc1ccccc1NCC1=CC(=O)n2nc(nc2N1)NCc1ccccc1Cl;Fc1ccccc1NCC2=CC(=O)n3nc(NCc4ccccc4Cl)nc3N2;c1ccc(c(c1)CNc2nc3n(n2)C(=O)C=C(N3)CNc4ccccc4F)Cl","InChI=1S/C19H16ClFN6O/c20-14-6-2-1-5-12(14)10-23-18-25-19-24-13(9-17(28)27(19)26-18)11-22-16-8-4-3-7-15(16)21/h1-9,22H,10-11H2,(H2,23,24,25,26)","","2023-02-21","2024-02-16","(8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2024-02-21"],["GLG","ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE","C7 H13 N O6","O=C(N)C1OC(CO)C(O)C(O)C1O;NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)C(=O)N)O)O)O)O","InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1","","2000-08-08","2020-07-17","(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)",""],["YUC","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","C26 H27 N5 O6 S","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(c5)C#N;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)C#N)NS(=O)(=O)C)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C26H27N5O6S/c1-14(31-13-26(37-25(31)34)9-15(10-26)11-27)18-4-3-5-19-21(23(24(32)33)29-22(18)19)16-6-7-20(17(8-16)12-28)30-38(2,35)36/h3-8,14-15,29-30H,9-11,13,27H2,1-2H3,(H,32,33)/t14-,15-,26-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GLH","N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINE","C18 H31 N3 O4","O=C(NC1CCCCC1)N(C(=O)CCC(C(=O)O)N)C2CCCCC2;N[CH](CCC(=O)N(C1CCCCC1)C(=O)NC2CCCCC2)C(O)=O;C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CCC(C(=O)O)N","InChI=1S/C18H31N3O4/c19-15(17(23)24)11-12-16(22)21(14-9-5-2-6-10-14)18(25)20-13-7-3-1-4-8-13/h13-15H,1-12,19H2,(H,20,25)(H,23,24)/t15-/m0/s1","","2000-08-29","2012-08-13","N-cyclohexyl-N-(cyclohexylcarbamoyl)-L-glutamine",""],["YUD","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","C31 H42 N2 O8 S","OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5[CH](O)CCc5c4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O","InChI=1S/C31H42N2O8S/c1-3-20(2)17-33(42(37,38)23-10-11-24-22(16-23)9-12-27(24)34)18-28(35)26(15-21-7-5-4-6-8-21)32-31(36)41-29-19-40-30-25(29)13-14-39-30/h4-8,10-11,16,20,25-30,34-35H,3,9,12-15,17-19H2,1-2H3,(H,32,36)/t20-,25-,26-,27-,28+,29-,30+/m0/s1","","2021-03-31","2022-08-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","2022-08-31"],["GLI","ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VAL-VAL-OME","C29 H47 N5 O7","O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C;COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N)C(C)C)C(C)C;CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(C)N)O","InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1/f/h31-34H","SKF 107457","1999-07-08","2008-10-14","methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate",""],["YUF","(5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid","C21 H15 Cl N2 O2","Cc1ccc(c2cc3ncn(c3c(c2)C(=O)O)c2ccccc2)c(Cl)c1;Cc1ccc(c(Cl)c1)c2cc3ncn(c4ccccc4)c3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)ncn3c4ccccc4)C(=O)O","InChI=1S/C21H15ClN2O2/c1-13-7-8-16(18(22)9-13)14-10-17(21(25)26)20-19(11-14)23-12-24(20)15-5-3-2-4-6-15/h2-12H,1H3,(H,25,26)","","2023-02-21","2024-02-16","(5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid","2024-02-21"],["YUG","2,6-dibromo-3-(2,4-dibromophenoxy)phenol","C12 H6 Br4 O2","Brc2ccc(Oc1ccc(Br)cc1Br)c(Br)c2O;Oc1c(Br)ccc(Oc2ccc(Br)cc2Br)c1Br;c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br","InChI=1S/C12H6Br4O2/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)12(17)11(10)16/h1-5,17H","","2013-04-02","2013-08-30","2,6-dibromo-3-(2,4-dibromophenoxy)phenol","2013-09-04"],["GLJ","5,5-dihydroxy-L-norvaline","C5 H11 N O4","O=C(O)C(N)CCC(O)O;N[CH](CCC(O)O)C(O)=O;C(CC(O)O)C(C(=O)O)N","InChI=1S/C5H11NO4/c6-3(5(9)10)1-2-4(7)8/h3-4,7-8H,1-2,6H2,(H,9,10)/t3-/m0/s1","","2011-02-09","2024-09-27","5,5-dihydroxy-L-norvaline",""],["YUH","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","C23 H24 N4 O5","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CNC(=O)C=C5;CC(c1cccc2c1[nH]c(c2C3=CNC(=O)C=C3)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)7-13(8-23)9-24)15-3-2-4-16-18(14-5-6-17(28)25-10-14)20(21(29)30)26-19(15)16/h2-6,10,12-13,26H,7-9,11,24H2,1H3,(H,25,28)(H,29,30)/t12-,13-,23-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GLK","(4S)-4-amino-5,5-dihydroxypentanoic acid","C5 H11 N O4","O=C(O)CCC(N)C(O)O;N[CH](CCC(O)=O)C(O)O;C(CC(=O)O)C(C(O)O)N","InChI=1S/C5H11NO4/c6-3(5(9)10)1-2-4(7)8/h3,5,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1","","2010-09-24","2024-09-27","(4S)-4-amino-5,5-dihydroxypentanoic acid",""],["GLL","GLYCOLURIL","C4 H6 N4 O2","O=C1NC2NC(=O)NC2N1;O=C1N[CH]2NC(=O)N[CH]2N1;C12C(NC(=O)N1)NC(=O)N2","InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+","","1999-07-08","2011-06-04","cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",""],["YUI","1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione","C26 H25 Cl N4 O3","CC1=CN(C2CCN(CC2)Cc3cc(Oc4cccc(Cl)c4)c5ccccc5n3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl","InChI=1S/C26H25ClN4O3/c1-17-15-31(26(33)29-25(17)32)20-9-11-30(12-10-20)16-19-14-24(22-7-2-3-8-23(22)28-19)34-21-6-4-5-18(27)13-21/h2-8,13-15,20H,9-12,16H2,1H3,(H,29,32,33)","","2017-04-24","2018-03-16","1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione","2018-03-21"],["YUJ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C30 H40 N2 O8 S","OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5[CH](O)CCc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O","InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(36,37)22-9-10-23-21(15-22)8-11-26(23)33)17-27(34)25(14-20-6-4-3-5-7-20)31-30(35)40-28-18-39-29-24(28)12-13-38-29/h3-7,9-10,15,19,24-29,33-34H,8,11-14,16-18H2,1-2H3,(H,31,35)/t24-,25-,26-,27+,28-,29+/m0/s1","","2021-03-31","2022-08-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2022-08-31"],["GLM","1-AMINO-PROPAN-2-ONE","C3 H7 N O","O=C(C)CN;CC(=O)CN;CC(=O)CN","InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3","","1999-07-08","2011-08-06","1-aminopropan-2-one",""],["GLN","GLUTAMINE","C5 H10 N2 O3","O=C(N)CCC(N)C(=O)O;N[CH](CCC(N)=O)C(O)=O;C(CC(=O)N)C(C(=O)O)N","InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1","","1999-07-08","2024-09-27","L-glutamine",""],["YUK","2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide","C31 H29 N5 O2","O=C(N)c2ccc(cc2NC1CCC(O)CC1)c4nccc3c(cccc34)n5cc(nc5)c6ccccc6;NC(=O)c1ccc(cc1N[CH]2CC[CH](O)CC2)c3nccc4c(cccc34)n5cnc(c5)c6ccccc6;c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N","InChI=1S/C31H29N5O2/c32-31(38)26-14-9-21(17-27(26)35-22-10-12-23(37)13-11-22)30-25-7-4-8-29(24(25)15-16-33-30)36-18-28(34-19-36)20-5-2-1-3-6-20/h1-9,14-19,22-23,35,37H,10-13H2,(H2,32,38)/t22-,23-","","2014-02-05","2015-02-20","2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide","2015-02-25"],["GLO","D-glucose","C6 H12 O6","O=CC(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C(C=O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1","D-GLUCOSE IN LINEAR FORM","1999-07-08","2024-09-27","D-glucose",""],["YUM","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate","C34 H45 N3 O9 S2","Cc1nc(COc2ccc(CC(NC(=O)OC3COC4OCCC43)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(cc3)C(C)O)cc2)cs1;CC(C)CN(C[CH](O)[CH](Cc1ccc(OCc2csc(C)n2)cc1)NC(=O)O[CH]3CO[CH]4OCC[CH]34)[S](=O)(=O)c5ccc(cc5)[CH](C)O;Cc1nc(cs1)COc2ccc(cc2)CC(C(CN(CC(C)C)S(=O)(=O)c3ccc(cc3)C(C)O)O)NC(=O)OC4COC5C4CCO5","InChI=1S/C34H45N3O9S2/c1-21(2)16-37(48(41,42)28-11-7-25(8-12-28)22(3)38)17-31(39)30(36-34(40)46-32-19-45-33-29(32)13-14-43-33)15-24-5-9-27(10-6-24)44-18-26-20-47-23(4)35-26/h5-12,20-22,29-33,38-39H,13-19H2,1-4H3,(H,36,40)/t22-,29-,30-,31+,32-,33+/m0/s1","","2021-04-01","2022-04-01","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate","2022-04-06"],["YUN","N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide","C17 H15 Br N4 O","Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC;CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1;CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br","InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)","","2013-08-02","2024-09-27","N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide","2013-09-11"],["GLP","2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose","C6 H14 N O8 P","O=P(O)(O)OCC1OC(O)C(N)C(O)C1O;N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O","InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1","GLUCOSAMINE 6-PHOSPHATE; 6-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucose;\n2-amino-2-deoxy-6-O-phosphono-D-glucose; 2-amino-2-deoxy-6-O-phosphono-glucose","1999-07-08","2020-07-17","2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose",""],["YUO","(5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid","C19 H20 Cl N3 O4 S","Cc1ccc(c2cc3ncn(CCCNS(C)(=O)=O)c3c(c2)C(=O)O)c(Cl)c1;Cc1ccc(c(Cl)c1)c2cc3ncn(CCCN[S](C)(=O)=O)c3c(c2)C(O)=O;Cc1ccc(c(c1)Cl)c2cc(c3c(c2)ncn3CCCNS(=O)(=O)C)C(=O)O","InChI=1S/C19H20ClN3O4S/c1-12-4-5-14(16(20)8-12)13-9-15(19(24)25)18-17(10-13)21-11-23(18)7-3-6-22-28(2,26)27/h4-5,8-11,22H,3,6-7H2,1-2H3,(H,24,25)","","2023-02-21","2024-02-16","(5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid","2024-02-21"],["GLQ","4-AMINO-5-OXO-PENTANOIC ACID","C5 H9 N O3","O=CC(N)CCC(=O)O;NC(CCC(O)=O)C=O;C(CC(=O)O)C(C=O)N","InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)","","1999-07-08","2012-01-25","4-amino-5-oxopentanoic acid",""],["GLR","2,3-DIHYDROXY-5-OXO-HEXANEDIOATE","C6 H6 O7","O=C([O-])C(O)C(O)CC(=O)C([O-])=O;O[CH](CC(=O)C([O-])=O)[CH](O)C([O-])=O;C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-]","InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1","","2000-01-31","2011-06-04","(2R,3S)-2,3-dihydroxy-5-oxohexanedioate (non-preferred name)",""],["YUP","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate","C29 H38 F2 N2 O8 S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C29H38F2N2O8S/c1-17(2)14-33(42(37,38)23-6-4-20(5-7-23)18(3)34)15-26(35)25(12-19-10-21(30)13-22(31)11-19)32-29(36)41-27-16-40-28-24(27)8-9-39-28/h4-7,10-11,13,17-18,24-28,34-35H,8-9,12,14-16H2,1-3H3,(H,32,36)/t18-,24-,25-,26+,27-,28+/m0/s1","","2021-04-01","2022-04-01","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate","2022-04-06"],["YUQ","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H27 F N4 O6 S","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)NS(=O)(=O)C)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C25H27FN4O6S/c1-13(30-12-25(36-24(30)33)9-14(10-25)11-27)16-4-3-5-17-20(22(23(31)32)28-21(16)17)15-6-7-19(18(26)8-15)29-37(2,34)35/h3-8,13-14,28-29H,9-12,27H2,1-2H3,(H,31,32)/t13-,14-,25-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GLS","BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN","C8 H12 N2 O7","O=C2NC(=O)NC21OC(C(O)C(O)C1O)CO;OC[CH]1O[C]2(NC(=O)NC2=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C2(O1)C(=O)NC(=O)N2)O)O)O)O","InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1","","1999-07-08","2020-07-17","(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",""],["GLT","5-thio-alpha-D-glucopyranose","C6 H12 O5 S","OC1C(O)C(SC(O)C1O)CO;OC[CH]1S[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(S1)O)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1","5-DEOXY-5-THIO-ALPHA-D-GLUCOSE; 5-thio-alpha-D-glucose; 5-thio-D-glucose; 5-thio-glucose","1999-07-08","2020-07-17","5-thio-alpha-D-glucopyranose",""],["YUS","N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide","C21 H20 N2 O3","COc1cc(ccc1OC)C=NNC(=O)Cc1cccc2ccccc21;COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1OC;COc1ccc(cc1OC)C=NNC(=O)Cc2cccc3c2cccc3","InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+","","2021-04-01","2021-07-02","N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide","2021-07-07"],["YUT","{difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid","C7 H19 F2 O26 P7","OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)C(F)(F)P(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)C(F)(F)[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(C(F)(F)P(=O)(O)O)O","InChI=1S/C7H19F2O26P7/c8-7(9,36(10,11)12)37(13,14)30-1-2(31-38(15,16)17)4(33-40(21,22)23)6(35-42(27,28)29)5(34-41(24,25)26)3(1)32-39(18,19)20/h1-6H,(H,13,14)(H2,10,11,12)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)/t1-,2-,3+,4+,5-,6+","","2023-02-22","2023-12-29","{difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid","2024-01-03"],["GLU","GLUTAMIC ACID","C5 H9 N O4","O=C(O)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","","1999-07-08","2024-09-27","L-glutamic acid",""],["GLV","GLYOXYLIC ACID","C2 H2 O3","O=CC(=O)O;OC(=O)C=O;C(=O)C(=O)O","InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)","GLYOXALATE; GLYOXYLATE","1999-10-25","2024-09-27","oxoacetic acid",""],["YUU","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid","C23 H28 N6 O4","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cnn(CCN)c5;CC(c1cccc2c1[nH]c(c2c3cnn(c3)CCN)C(=O)O)N4CC5(CC(C5)CN)OC4=O","InChI=1S/C23H28N6O4/c1-13(29-12-23(33-22(29)32)7-14(8-23)9-25)16-3-2-4-17-18(20(21(30)31)27-19(16)17)15-10-26-28(11-15)6-5-24/h2-4,10-11,13-14,27H,5-9,12,24-25H2,1H3,(H,30,31)/t13-,14-,23-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YUV","(25R)-14beta,17beta-spirost-5-en-3beta-ol","C27 H42 O3","CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)CO2;C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1","InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1","","2021-04-01","2021-07-02","(25R)-14beta,17beta-spirost-5-en-3beta-ol","2021-07-07"],["GLW","6-DEOXYGLUCOSE","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1","","2001-12-06","2008-10-14","6-deoxy-alpha-D-glucopyranose",""],["YUX","3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine","C21 H33 N3 O","CCCCCCCCCCc1ccc(cc1)c1nc(CCCN)on1;CCCCCCCCCCc1ccc(cc1)c2noc(CCCN)n2;CCCCCCCCCCc1ccc(cc1)c2nc(on2)CCCN","InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22/h13-16H,2-12,17,22H2,1H3","","2023-02-22","2023-05-19","3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine","2023-05-24"],["GLX","GLU/GLN AMBIGUOUS","C5 H8 N O2 X2","C(CC[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I];*=C(*)CCC(C(=O)O)N","InChI=C(CCC(N)C=O)([X])[X]","","1999-07-08","2023-11-03","(2S)-2-amino-5-methylhexanal",""],["YUY","(2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C44 H72 O15","OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(CO)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1;C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO)CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1","InChI=1S/C44H72O15/c1-22-7-13-44(55-20-22)23(2)33-30(59-44)16-29-27-6-5-25-15-26(8-11-42(25,3)28(27)9-12-43(29,33)4)53-14-10-24(17-45)21-54-40-38(52)36(50)39(32(19-47)57-40)58-41-37(51)35(49)34(48)31(18-46)56-41/h5,22-24,26-41,45-52H,6-21H2,1-4H3/t22-,23+,24-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-/m1/s1","","2021-04-01","2021-07-02","(2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2021-07-07"],["GLY","GLYCINE","C2 H5 N O2","O=C(O)CN;NCC(O)=O;C(C(=O)O)N","InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)","","1999-07-08","2024-09-27","glycine",""],["YUZ","7-[(1~{S})-1-[1-(3-azanylpropyl)pyrazol-4-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H27 F N4 O4 S","C[CH](c1cnn(CCCN)c1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)c4cnn(c4)CCCN","InChI=1S/C25H27FN4O4S/c1-15(18-12-28-30(13-18)10-4-9-27)19-5-3-6-20-22(24(25(31)32)29-23(19)20)16-7-8-17(21(26)11-16)14-35(2,33)34/h3,5-8,11-13,15,29H,4,9-10,14,27H2,1-2H3,(H,31,32)/t15-/m1/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[1-(3-azanylpropyl)pyrazol-4-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GLZ","AMINO-ACETALDEHYDE","C2 H5 N O","O=CCN;NCC=O;C(C=O)N","InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2","","1999-07-08","2024-09-27","aminoacetaldehyde",""],["YV1","(3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate","C23 H23 Cl2 N5 O3","Clc1cc(cc(Cl)c1)COC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1;Clc1cc(Cl)cc(COC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)c4ccc5[nH]nnc5c4)c1;c1cc2c(cc1C(=O)N3CC4CCN(CCC4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2","InChI=1S/C23H23Cl2N5O3/c24-18-7-14(8-19(25)10-18)13-33-23(32)29-5-3-16-11-30(12-17(16)4-6-29)22(31)15-1-2-20-21(9-15)27-28-26-20/h1-2,7-10,16-17H,3-6,11-13H2,(H,26,27,28)","","2021-04-01","2022-04-08","(3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate","2022-04-13"],["GM0","4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose","C7 H15 O10 P","O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O;C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O","InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4-,5+,6-,7-/m0/s1","4-O-phosphono-L-glycero-alpha-D-manno-heptose; 4-O-phosphono-L-glycero-D-manno-heptose;\n4-O-phosphono-L-glycero-manno-heptose","2012-07-05","2020-07-17","4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose","2012-11-30"],["GM1","AMINOMETHYLAMIDE","C2 H6 N2 O","O=C(N)CN;NCC(N)=O;C(C(=O)N)N","InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)","GLYCINAMID","1999-07-08","2024-09-27","glycinamide",""],["YV2","(2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name)","C57 H76 N8 O7","CN(C)C(C)(C)/C=C/C(=O)N1CCC2(C1)CCN(C2=O)C(C(C)C)C(=O)NC1Cc2cccc(c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC;CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5cccc3c5)NC(=O)[CH](C(C)C)N6CC[C]7(CCN(C7)C(=O)C=CC(C)(C)N(C)C)C6=O)c1c8cccnc8[CH](C)OC;CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN(N5)C(=O)C(Cc6cccc3c6)NC(=O)C(C(C)C)N7CCC8(C7=O)CCN(C8)C(=O)C=CC(C)(C)N(C)C)(C)C","InChI=1S/C57H76N8O7/c1-12-63-46-21-20-40-32-42(46)43(50(63)41-18-14-26-58-48(41)37(4)71-11)33-55(5,6)35-72-53(69)44-19-15-27-65(60-44)52(68)45(31-38-16-13-17-39(40)30-38)59-51(67)49(36(2)3)64-29-25-57(54(64)70)24-28-62(34-57)47(66)22-23-56(7,8)61(9)10/h13-14,16-18,20-23,26,30,32,36-37,44-45,49,60H,12,15,19,24-25,27-29,31,33-35H2,1-11H3,(H,59,67)/b23-22+/t37-,44-,45-,49-,57-/m0/s1","","2023-02-22","2024-09-27","(2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name)","2023-08-16"],["GM2","N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE","C43 H85 N O8","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCCCCCCCCCCC)O","InChI=1S/C43H85NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(47)44-36(35-51-43-42(50)41(49)40(48)38(34-45)52-43)37(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,40-43,45-46,48-50H,3-35H2,1-2H3,(H,44,47)/t36-,37-,38+,40+,41-,42+,43+/m0/s1","","2002-05-24","2011-06-04","N-{(1S,2S)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxyoctadecyl}octadecanamide",""],["YV3","7-[(1~{S})-1-[3-(4-azanylbutyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C26 H29 F N4 O6 S","C[CH](N1C(=O)CN(CCCCN)C1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4C(=O)CN(C4=O)CCCCN","InChI=1S/C26H29FN4O6S/c1-15(31-21(32)13-30(26(31)35)11-4-3-10-28)18-6-5-7-19-22(24(25(33)34)29-23(18)19)16-8-9-17(20(27)12-16)14-38(2,36)37/h5-9,12,15,29H,3-4,10-11,13-14,28H2,1-2H3,(H,33,34)/t15-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[3-(4-azanylbutyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["YV4","(3S)-3-aminopyrrolidin-2-one","C4 H8 N2 O","O=C1NCCC1N;N[CH]1CCNC1=O;C1CNC(=O)C1N","InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1","","2021-04-01","2021-06-18","(3S)-3-aminopyrrolidin-2-one","2021-06-23"],["GM3","N-{1-[(HEXOPYRANOSYLOXY)METHYL]-2-HYDROXYNONADECYL}TETRACOSANAMIDE","C50 H99 N O8","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCCCCCCCCCCCC)O","InChI=1S/C50H99NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h43-45,47-50,52-53,55-57H,3-42H2,1-2H3,(H,51,54)/t43-,44+,45+,47+,48-,49+,50-/m0/s1","","2005-06-23","2011-06-04","N-{(1S,2R)-1-[(alpha-D-glucopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide",""],["GM4","(2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol","C19 H27 N O","C1(C)C2(c3c(CC1N(CC2)C[C@H]=C(C)C)ccc(c3)O)C;C[CH]1[CH]2Cc3ccc(O)cc3[C]1(C)CCN2CC=C(C)C;CC1C2Cc3ccc(cc3C1(CCN2CC=C(C)C)C)O","InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1","","2018-05-29","2018-10-12","(2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol","2018-10-17"],["YV6","methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate","C24 H36 N4 O6 S","O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(=O)CCCS)C(C)C;COC(=O)[CH]1CCCN(N1)C(=O)[CH](Cc2cccc(O)c2)NC(=O)[CH](NC(=O)CCCS)C(C)C;CC(C)C(C(=O)NC(Cc1cccc(c1)O)C(=O)N2CCCC(N2)C(=O)OC)NC(=O)CCCS","InChI=1S/C24H36N4O6S/c1-15(2)21(26-20(30)10-6-12-35)22(31)25-19(14-16-7-4-8-17(29)13-16)23(32)28-11-5-9-18(27-28)24(33)34-3/h4,7-8,13,15,18-19,21,27,29,35H,5-6,9-12,14H2,1-3H3,(H,25,31)(H,26,30)/t18-,19-,21-/m0/s1","","2023-02-22","2024-09-27","methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate","2023-08-16"],["YV7","D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide","C29 H37 F N4 O5","Fc1ccc(cc1)CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)[CH](N)Cc3ccccc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccc(cc2)F)NC(=O)C(Cc3ccccc3)N","InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-20-8-10-22(30)11-9-20)34-28(37)24(31)16-19-6-4-3-5-7-19/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1","","2021-04-01","2024-09-27","D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide","2022-10-12"],["GM5","~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide","C16 H14 N4 O2 S","ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2;c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO","InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)","","2018-09-28","2018-10-26","~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide","2018-10-31"],["YV8","7-[(1~{S})-1-[(5~{S})-5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H28 F N3 O6 S","C[CH](N1C[CH](CCCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CCCN","InChI=1S/C25H28FN3O6S/c1-14(29-12-17(5-4-10-27)35-25(29)32)18-6-3-7-19-21(23(24(30)31)28-22(18)19)15-8-9-16(20(26)11-15)13-36(2,33)34/h3,6-9,11,14,17,28H,4-5,10,12-13,27H2,1-2H3,(H,30,31)/t14-,17-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[(5~{S})-5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GM6","3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE","C20 H28 N4 O4","O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2)CC(C)C;CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CC(C)C)CC(=O)NO;CC(C)CC(CC(=O)NO)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC","InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1","GM6001","2003-07-03","2021-03-01","(2R)-N~4~-hydroxy-N~1~-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide",""],["YVA","ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate","C28 H35 N3 O5","C#Cc1ccc(cc1)/C=C/C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)NC(=O)C=Cc3ccc(cc3)C#C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(CC2CC2)NC(=O)C=Cc3ccc(cc3)C#C","InChI=1S/C28H35N3O5/c1-3-19-5-7-20(8-6-19)11-13-25(32)31-24(17-21-9-10-21)28(35)30-23(12-14-26(33)36-4-2)18-22-15-16-29-27(22)34/h1,5-8,11,13,21-24H,4,9-10,12,14-18H2,2H3,(H,29,34)(H,30,35)(H,31,32)/b13-11+/t22-,23+,24-/m0/s1","","2021-04-01","2024-09-27","ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate","2022-10-12"],["GM7","4-aminobenzene-1,2-dicarboxylic acid","C8 H7 N O4","C(O)(c1cc(ccc1C(O)=O)N)=O;Nc1ccc(C(O)=O)c(c1)C(O)=O;c1cc(c(cc1N)C(=O)O)C(=O)O","InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)","","2018-05-29","2019-05-24","4-aminobenzene-1,2-dicarboxylic acid","2019-05-29"],["GM8","(2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid","C10 H19 N O2","O=C(O)C(CC)C1CCCCC1N;CC[CH]([CH]1CCCC[CH]1N)C(O)=O;CCC(C1CCCCC1N)C(=O)O","InChI=1S/C10H19NO2/c1-2-7(10(12)13)8-5-3-4-6-9(8)11/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,8-,9-/m0/s1","","2012-10-29","2024-09-27","(2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid","2013-06-12"],["YVB","(2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide","C23 H21 N5 O2","Cc1cc(NC(=O)c2cccc(c2)c2nc3c(cccc3[NH]2)C(N)=O)c(N)cc1C;Cc1cc(N)c(NC(=O)c2cccc(c2)c3[nH]c4cccc(C(N)=O)c4n3)cc1C;Cc1cc(c(cc1C)NC(=O)c2cccc(c2)c3[nH]c4cccc(c4n3)C(=O)N)N","InChI=1S/C23H21N5O2/c1-12-9-17(24)19(10-13(12)2)27-23(30)15-6-3-5-14(11-15)22-26-18-8-4-7-16(21(25)29)20(18)28-22/h3-11H,24H2,1-2H3,(H2,25,29)(H,26,28)(H,27,30)","","2023-02-22","2024-02-02","(2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide","2024-02-07"],["GM9","2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid","C25 H28 N2 O5 S","CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)[S](=O)(=O)c3cccnc3)cc1;CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3","InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)","","2020-09-04","2021-04-30","2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid","2021-05-05"],["YVC","7-[(1~{S})-1-[5-[(2-azanylethanoylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H27 F N4 O7 S","C[CH](N1C[CH](CNC(=O)CN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CNC(=O)CN","InChI=1S/C25H27FN4O7S/c1-13(30-11-16(37-25(30)34)10-28-20(31)9-27)17-4-3-5-18-21(23(24(32)33)29-22(17)18)14-6-7-15(19(26)8-14)12-38(2,35)36/h3-8,13,16,29H,9-12,27H2,1-2H3,(H,28,31)(H,32,33)/t13-,16-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[5-[(2-azanylethanoylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GMA","4-AMIDO-4-CARBAMOYL-BUTYRIC ACID","C5 H10 N2 O3","O=C(N)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(N)=O;C(CC(=O)O)C(C(=O)N)N","InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1","","1999-07-08","2024-09-27","L-alpha-glutamine",""],["YVD","4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide","C29 H36 F2 N4 O5","Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)[CH](N)Cc3ccc(F)cc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccc(cc2)F)NC(=O)C(Cc3ccc(cc3)F)N","InChI=1S/C29H36F2N4O5/c1-2-40-26(36)12-11-23(17-20-13-14-33-27(20)37)34-29(39)25(16-19-5-9-22(31)10-6-19)35-28(38)24(32)15-18-3-7-21(30)8-4-18/h3-10,20,23-25H,2,11-17,32H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t20-,23+,24+,25-/m0/s1","","2021-04-01","2024-09-27","4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide","2022-10-12"],["GMB","1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose","C7 H16 O13 P2","O[CH](CO[P](O)(O)=O)[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6+,7-/m0/s1","1,7-di-O-phosphono-L-glycero-beta-D-manno-heptose; 1,7-di-O-phosphono-L-glycero-D-manno-heptose;\n1,7-di-O-phosphono-L-glycero-manno-heptose","2010-01-11","2020-07-17","[(2S)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]ethyl] dihydrogen phosphate",""],["YVF","methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate","C20 H18 F3 N3 O3 S","O=C(NC(C)(c1cccs1)C(=O)OC)c1cc(C)n(n1)c1cc(ccc1)C(F)(F)F;COC(=O)[C](C)(NC(=O)c1cc(C)n(n1)c2cccc(c2)C(F)(F)F)c3sccc3;Cc1cc(nn1c2cccc(c2)C(F)(F)F)C(=O)NC(C)(c3cccs3)C(=O)OC","InChI=1S/C20H18F3N3O3S/c1-12-10-15(25-26(12)14-7-4-6-13(11-14)20(21,22)23)17(27)24-19(2,18(28)29-3)16-8-5-9-30-16/h4-11H,1-3H3,(H,24,27)/t19-/m0/s1","","2023-02-23","2024-02-23","methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate","2024-02-28"],["GMC","(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL","C12 H18 N6 O3","n2c1c(ncnc1N(C)C)n(c2)C3OC(C(N)C3O)CO;CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](N)[CH]3O;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)N)O","InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12-/m1/s1","6N-DIMETHYL-3'-DEOXY-AMINO-ADENOSINE","2001-11-05","2020-06-17","3'-amino-3'-deoxy-N,N-dimethyladenosine",""],["YVG","D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C29 H38 N4 O5","NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](N)Cc3ccccc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccccc3)N","InChI=1S/C29H38N4O5/c1-2-38-26(34)14-13-23(19-22-15-16-31-27(22)35)32-29(37)25(18-21-11-7-4-8-12-21)33-28(36)24(30)17-20-9-5-3-6-10-20/h3-12,22-25H,2,13-19,30H2,1H3,(H,31,35)(H,32,37)(H,33,36)/t22-,23+,24+,25-/m0/s1","","2021-04-01","2024-09-27","D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","2022-10-12"],["YVH","7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C25 H26 F N5 O6 S","C[CH](N1CC2(CN(C2)C(N)=N)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC5(CN(C5)C(=N)N)OC4=O","InChI=1S/C25H26FN5O6S/c1-13(31-12-25(37-24(31)34)10-30(11-25)23(27)28)16-4-3-5-17-19(21(22(32)33)29-20(16)17)14-6-7-15(18(26)8-14)9-38(2,35)36/h3-8,13,29H,9-12H2,1-2H3,(H3,27,28)(H,32,33)/t13-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GMD","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol","C16 H25 N5 O2 S","C(O)CCCSCC1CN(CC1O)Cc2cnc3c2ncnc3N;Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCCO)C3)c[nH]c12;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCCCCO","InChI=1S/C16H25N5O2S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-24-4-2-1-3-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1","hydroxybutylthio-DADMe-Immucillin-A","2018-05-29","2020-06-17","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol","2018-06-06"],["YVI","6-THIOOCTANOIC ACID","C8 H16 O2 S","OC(=O)CCCCC(S)CC;CC[CH](S)CCCCC(O)=O;CCC(CCCCC(=O)O)S","InChI=1S/C8H16O2S/c1-2-7(11)5-3-4-6-8(9)10/h7,11H,2-6H2,1H3,(H,9,10)/t7-/m0/s1","6-sulfanyloctanoic acid","2024-01-22","2025-07-04","(6S)-6-sulfanyloctanoic acid","2025-07-09"],["GME","5-O-methyl-glutamic acid","C6 H11 N O4","O=C(OC)CCC(C(=O)O)N;COC(=O)CC[CH](N)C(O)=O;COC(=O)CCC(C(=O)O)N","InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1","(2S)-2-amino-5-methoxy-5-oxopentanoic acid","2009-10-09","2024-09-27","(2S)-2-amino-5-methoxy-5-oxopentanoic acid (non-preferred name)",""],["GMF","2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine","C20 H20 N4 O","O(c1cccc(c1)c2cccc(c2)C(NC(=[N@H])N)c3ccncc3)C;COc1cccc(c1)c2cccc(c2)[CH](NC(N)=N)c3ccncc3;COc1cccc(c1)c2cccc(c2)C(c3ccncc3)NC(=N)N","InChI=1S/C20H20N4O/c1-25-18-7-3-5-16(13-18)15-4-2-6-17(12-15)19(24-20(21)22)14-8-10-23-11-9-14/h2-13,19H,1H3,(H4,21,22,24)/t19-/m1/s1","","2012-07-04","2014-09-05","1-[(S)-(3'-methoxybiphenyl-3-yl)(pyridin-4-yl)methyl]guanidine","2013-07-24"],["YVJ","4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C29 H37 F N4 O5","Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](N)Cc3ccc(F)cc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccc(cc3)F)N","InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-19-6-4-3-5-7-19)34-28(37)24(31)16-20-8-10-22(30)11-9-20/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1","","2021-04-01","2024-09-27","4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","2022-10-12"],["YVK","(6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one","C30 H34 N4 O3","Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccccc3)n(C3CCC(OC)CC3)c2cc1;CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccccc6;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6ccccc6","InChI=1S/C30H34N4O3/c1-19-29(20(2)37-32-19)21-12-17-26-25(18-21)31-30(34(26)23-13-15-24(36-3)16-14-23)27-10-7-11-28(35)33(27)22-8-5-4-6-9-22/h4-6,8-9,12,17-18,23-24,27H,7,10-11,13-16H2,1-3H3/t23-,24+,27-/m0/s1","","2023-02-23","2024-02-23","(6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one","2024-02-28"],["GMG","[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid","C25 H18 N2 O2","O=C(O)Cc5ccc(c2c1cc(cnc1nc2)c4cc3ccccc3cc4)cc5;OC(=O)Cc1ccc(cc1)c2c[nH]c3ncc(cc23)c4ccc5ccccc5c4;c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O","InChI=1S/C25H18N2O2/c28-24(29)11-16-5-7-18(8-6-16)23-15-27-25-22(23)13-21(14-26-25)20-10-9-17-3-1-2-4-19(17)12-20/h1-10,12-15H,11H2,(H,26,27)(H,28,29)","","2009-05-14","2011-06-04","[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid",""],["YVM","4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C35 H43 F N4 O7","Fc1ccc(cc1)CC(NC(=O)CCOCC#C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](Cc3ccc(F)cc3)NC(=O)CCOCC#C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccc(cc3)F)NC(=O)CCOCC#C","InChI=1S/C35H43FN4O7/c1-3-19-46-20-17-31(41)39-29(22-25-10-12-27(36)13-11-25)35(45)40-30(21-24-8-6-5-7-9-24)34(44)38-28(14-15-32(42)47-4-2)23-26-16-18-37-33(26)43/h1,5-13,26,28-30H,4,14-23H2,2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,45)/t26-,28+,29+,30-/m0/s1","","2021-04-01","2024-09-27","4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","2022-10-12"],["GMH","L-glycero-alpha-D-manno-heptopyranose","C7 H14 O7","OC1C(O)C(OC(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)O)O)O)O)O)O","InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1","L-glycero-alpha-D-manno-heptose; L-glycero-D-manno-heptose; L-glycero-manno-heptose; L-GLYCERO-D-MANNO-HEPTOPYRANOSE","1999-07-08","2020-07-17","L-glycero-alpha-D-manno-heptopyranose",""],["YVN","N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide","C21 H30 N5 O9 P","O=C(N)CC(C(=O)N)NC(=O)C(NC(=O)C2C(C(=O)NC)C2c1ccc(OP(=O)(O)O)cc1)C(C)C;CNC(=O)[CH]1[CH]([CH]1c2ccc(O[P](O)(O)=O)cc2)C(=O)N[CH](C(C)C)C(=O)N[CH](CC(N)=O)C(N)=O;CC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C1C(C1C(=O)NC)c2ccc(cc2)OP(=O)(O)O","InChI=1S/C21H30N5O9P/c1-9(2)17(21(31)25-12(18(23)28)8-13(22)27)26-20(30)16-14(15(16)19(29)24-3)10-4-6-11(7-5-10)35-36(32,33)34/h4-7,9,12,14-17H,8H2,1-3H3,(H2,22,27)(H2,23,28)(H,24,29)(H,25,31)(H,26,30)(H2,32,33,34)/t12-,14-,15+,16+,17-/m0/s1","","2006-08-01","2011-06-04","N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide",""],["GMI","[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid","C13 H21 N4 O6 P2 S","O=P(O)(O)CP(=O)(O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C;Cc1ncc(C[n+]2csc(CCO[P](O)(=O)C[P](O)(O)=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O","InChI=1S/C13H20N4O6P2S/c1-9-12(3-4-23-25(21,22)8-24(18,19)20)26-7-17(9)6-11-5-15-10(2)16-13(11)14/h5,7H,3-4,6,8H2,1-2H3,(H4-,14,15,16,18,19,20,21,22)/p+1","","2022-01-03","2022-02-11","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","2022-02-16"],["YVO","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid","C26 H26 N4 O5","C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc6NC(=O)Cc6c5;CC(c1cccc2c1[nH]c(c2c3ccc4c(c3)CC(=O)N4)C(=O)O)N5CC6(CC(C6)CN)OC5=O","InChI=1S/C26H26N4O5/c1-13(30-12-26(35-25(30)34)9-14(10-26)11-27)17-3-2-4-18-21(23(24(32)33)29-22(17)18)15-5-6-19-16(7-15)8-20(31)28-19/h2-7,13-14,29H,8-12,27H2,1H3,(H,28,31)(H,32,33)/t13-,14-,26-/m0/s1","","2023-06-21","2024-07-05","7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid","2024-07-10"],["GMJ","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one","C21 H23 Cl F N O2","C(CC(c1ccc(F)cc1)=O)CN2CCC(O)(CC2)c3ccc(cc3)Cl;OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3;c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F","InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2","","2018-05-30","2018-10-12","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one","2018-10-17"],["YVP","N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide","C31 H40 N6 O5","CC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1;CC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)CCOCC#C;CC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)CCOCC#C","InChI=1S/C31H40N6O5/c1-3-18-42-19-16-28(39)35-26(20-23-11-6-4-7-12-23)29(40)37-27(21-24-13-8-5-9-14-24)30(41)36-25(22(2)38)15-10-17-34-31(32)33/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t25-,26+,27-/m0/s1","","2021-04-01","2024-09-27","N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide","2022-10-12"],["GMK","(3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide","C28 H36 N2 O15 S2","O=S(=O)(O)OC4C(NC(=O)c1cccc(OC)c1)C(O)C(OC4SC3OC(CO)C(O)C(NC(=O)c2cccc(OC)c2)C3O)CO;COc1cccc(c1)C(=O)N[CH]2[CH](O)[CH](CO)O[CH](S[CH]3O[CH](CO)[CH](O)[CH](NC(=O)c4cccc(OC)c4)[CH]3O[S](O)(=O)=O)[CH]2O;COc1cccc(c1)C(=O)NC2C(C(OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O","InChI=1S/C28H36N2O15S2/c1-41-15-7-3-5-13(9-15)25(36)29-19-21(33)17(11-31)43-27(23(19)35)46-28-24(45-47(38,39)40)20(22(34)18(12-32)44-28)30-26(37)14-6-4-8-16(10-14)42-2/h3-10,17-24,27-28,31-35H,11-12H2,1-2H3,(H,29,36)(H,30,37)(H,38,39,40)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1","","2013-05-03","2014-09-05","3-deoxy-3-[(3-methoxybenzoyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-2-O-sulfo-1-thio-beta-D-galactopyranoside","2014-05-21"],["YVQ","3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE","C17 H12 N6","n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4;[nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5","InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)","","2010-05-19","2011-06-04","3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine",""],["GMM","GLUCOSE MONOMYCOLATE","C66 H126 O8","O=C(OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC=C/CCCCCCCCC=C/CCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC[CH](O)[CH](CCCCCCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)C(=O)OCC1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C66H126O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h24-25,34-35,59-64,66-70,72H,3-23,26-33,36-58H2,1-2H3/b25-24-,35-34-/t59-,60-,61+,62-,63+,64-,66-/m1/s1","6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE","2006-10-19","2020-06-17","6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-alpha-L-idopyranose",""],["GMN","2,2',2\"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]","C30 H60 N3 O3","O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC;CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC;CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC","InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3","GALLAMINE","2002-12-11","2021-03-01","2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N,N-triethylethanaminium)",""],["YVR","gamma-Valerolactone","C5 H8 O2","C[CH]1CCC(=O)O1;CC1CCC(=O)O1","InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1","","2016-12-03","2017-04-28","(5~{S})-5-methyloxolan-2-one","2017-05-03"],["GMO","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H16 N4 O6","NC(C2=NC(=[C@H]c1ccc(cc1)[N+]([O-])=O)C(N2CC(O)=O)=O)C(O)C;C[CH](O)[CH](N)C1=NC(=Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(cc2)[N+](=O)[O-])C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16N4O6/c1-8(20)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(5-3-9)19(24)25/h2-6,8,13,20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2017-10-13","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2018-10-17"],["YVS","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C22 H20 F3 N5 O4","FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1;c1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F","InChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-4-1-13(2-5-17)12-33-21(32)30-10-15-8-29(9-16(15)11-30)20(31)14-3-6-18-19(7-14)27-28-26-18/h1-7,15-16H,8-12H2,(H,26,27,28)","","2021-04-01","2022-04-08","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2022-04-13"],["GMP","GUANOSINE","C10 H13 N5 O5","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CO;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N","InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2012-01-05","guanosine",""],["YVU","5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine","C20 H25 N7 O4 S","Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)NCc2ccccc2)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCNC(=O)NCc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)CNC(=O)NCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C20H25N7O4S/c21-17-14-18(25-10-24-17)27(11-26-14)19-16(29)15(28)13(31-19)9-32-7-6-22-20(30)23-8-12-4-2-1-3-5-12/h1-5,10-11,13,15-16,19,28-29H,6-9H2,(H2,21,24,25)(H2,22,23,30)/t13-,15-,16-,19-/m1/s1","","2023-02-24","2023-04-21","5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine","2023-04-26"],["YVV","N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","C35 H44 N4 O7","C#CCOCCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](Cc3ccccc3)NC(=O)CCOCC#C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)CCOCC#C","InChI=1S/C35H44N4O7/c1-3-20-45-21-18-31(40)38-29(22-25-11-7-5-8-12-25)35(44)39-30(23-26-13-9-6-10-14-26)34(43)37-28(15-16-32(41)46-4-2)24-27-17-19-36-33(27)42/h1,5-14,27-30H,4,15-24H2,2H3,(H,36,42)(H,37,43)(H,38,40)(H,39,44)/t27-,28+,29+,30-/m0/s1","","2021-04-01","2024-09-27","N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide","2022-10-12"],["GMQ","6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one","C34 H34 F N7 O5","CN1N=C(C=C(Nc2ccc(cn2)C(=O)N3CCOCC3)C1=O)c4cccc(N5N=Cc6cc(cc(F)c6C5=O)C(C)(C)C)c4CO;CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C","InChI=1S/C34H34FN7O5/c1-34(2,3)22-14-21-18-37-42(33(46)30(21)25(35)15-22)28-7-5-6-23(24(28)19-43)26-16-27(32(45)40(4)39-26)38-29-9-8-20(17-36-29)31(44)41-10-12-47-13-11-41/h5-9,14-18,43H,10-13,19H2,1-4H3,(H,36,38)","","2018-09-28","2019-03-15","6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one","2019-03-20"],["GMR","3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car\nboxamide","C24 H34 N4 O5 S","S(NC(=O)NC1CCC(C)CC1)(=O)(=O)c3ccc(CCNC(=O)N2C(=O)C(=C(C2)C)CC)cc3;CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[CH]3CC[CH](C)CC3)C1=O;CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C","InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19+","glimepiride","2015-04-09","2020-06-17","3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide","2015-11-25"],["YVW","(5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one","C12 H13 N3 O","O=C1CN[CH](CN1)c2[nH]c3ccccc3c2;c1ccc2c(c1)cc([nH]2)C3CNC(=O)CN3","InChI=1S/C12H13N3O/c16-12-7-13-11(6-14-12)10-5-8-3-1-2-4-9(8)15-10/h1-5,11,13,15H,6-7H2,(H,14,16)/t11-/m0/s1","","2023-06-21","2024-07-05","(5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one","2024-07-10"],["GMS","2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE","C10 H14 N5 O6 P Se","O=P(O)([SeH])OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)([SeH])=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)[SeH])O)N=C(NC2=O)N","InChI=1S/C10H14N5O6PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2002-11-18","2012-01-05","2'-deoxy-5'-O-selenophosphonoguanosine",""],["YVY","N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide","C31 H39 N5 O6","CC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1;CC(=O)[CH](CCCNC(N)=O)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)CCOCC#C;CC(=O)C(CCCNC(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)CCOCC#C","InChI=1S/C31H39N5O6/c1-3-18-42-19-16-28(38)34-26(20-23-11-6-4-7-12-23)29(39)36-27(21-24-13-8-5-9-14-24)30(40)35-25(22(2)37)15-10-17-33-31(32)41/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,34,38)(H,35,40)(H,36,39)(H3,32,33,41)/t25-,26+,27-/m0/s1","","2021-04-01","2024-09-27","N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide","2022-10-12"],["YVZ","(1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide","C24 H37 F3 N4 O4","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C3(C)C;CCC(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F","InChI=1S/C24H37F3N4O4/c1-7-13(10-12-8-9-28-18(12)32)29-19(33)16-15-14(23(15,5)6)11-31(16)20(34)17(22(2,3)4)30-21(35)24(25,26)27/h12-17H,7-11H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/t12-,13+,14-,15-,16-,17+/m0/s1","","2023-02-24","2024-09-27","(1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide","2024-07-24"],["GMT","(2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid","C12 H19 N O10","O=C(O)CC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)NC(C)=O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CC(O)=O)C(O)=O;CC(=O)NC1C(C(C(OC1OC(CC(=O)O)C(=O)O)CO)O)O","InChI=1S/C12H19NO10/c1-4(15)13-8-10(19)9(18)6(3-14)23-12(8)22-5(11(20)21)2-7(16)17/h5-6,8-10,12,14,18-19H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/t5-,6+,8+,9+,10+,12-/m0/s1","(2S)-2-{[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid;\n(2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucosyl]oxy}butanedioic acid;\n(2S)-2-{[2-acetamido-2-deoxy-D-glucosyl]oxy}butanedioic acid; (2S)-2-{[2-acetamido-2-deoxy-glucosyl]oxy}butanedioic acid","2015-08-06","2020-07-17","(2S)-2-{[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid","2016-09-07"],["GMU","2'-O-[(2-GUANIDINIUM)ETHYL]-5-METHYLURIDINE 5'-MONOPHOSPHATE","C13 H24 N5 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCNC(N)N)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCNC(N)N)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCNC(N)N","InChI=1S/C13H24N5O9P/c1-6-4-18(13(21)17-10(6)20)11-9(25-3-2-16-12(14)15)8(19)7(27-11)5-26-28(22,23)24/h4,7-9,11-12,16,19H,2-3,5,14-15H2,1H3,(H,17,20,21)(H2,22,23,24)/t7-,8-,9-,11-/m1/s1","","2003-10-02","2011-06-04","2'-O-{2-[(diaminomethyl)amino]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)",""],["YW0","methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate","C20 H27 N3 O4","C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O;COC(=O)NN(C=O)c1ccc(NC(=O)CCCCCCCCC#C)cc1;COC(=O)NN(C=O)c1ccc(cc1)NC(=O)CCCCCCCCC#C","InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)","","2023-06-22","2024-09-27","methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate","2024-03-06"],["GMV","GUANOSINE-5'-PHOSPHOVANADATE","C10 H17 N5 O12 P V","O=P(O[V](O)(O)(O)O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[V](O)(O)(O)O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P.4H2O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;;;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);4*1H2;/q;;;;;+5/p-5/t3-,5-,6-,9-;;;;;/m1...../s1","","2013-06-04","2014-09-05","vanadium(5+) hydroxide 5'-O-[(R)-hydroxyphosphinato]guanosine (1:4:1)","2013-07-17"],["YW1","9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide","C29 H32 N4 O4","Cc1noc(C)c1c1cc(C(N)=O)c2c(c1)c1ccc(cc1n2CC1CC1)C(=O)N1CC(C)OC(C)C1;C[CH]1CN(C[CH](C)O1)C(=O)c2ccc3c(c2)n(CC4CC4)c5c(cc(cc35)c6c(C)onc6C)C(N)=O;Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6CC(OC(C6)C)C","InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+","","2021-04-01","2021-09-24","9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide","2021-09-29"],["YW2","(1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C34 H44 O3","C5(C#CC#CC(O)C13CC2CC(C1)CC(C2)C3)C4(CCCC(C4CC5)=[C@H][C@H]=C6CC(O)/C(C(C6)O)=C)C;C[C]12CCCC(=CC=C3C[CH](O)C(=C)[CH](O)C3)[CH]1CC[CH]2C#CC#C[CH](O)C45CC6CC(CC(C6)C4)C5;CC12CCCC(=CC=C3CC(C(=C)C(C3)O)O)C1CCC2C#CC#CC(C45CC6CC(C4)CC(C6)C5)O","InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24-,25+,26-,28-,29-,30+,31+,32+,33+,34-/m0/s1","","2015-04-02","2016-01-15","(1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2016-01-20"],["GMW","(9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one","C37 H37 F N6 O5","CN1C(=O)C(=CC2=C1C[CH](O)Cc3c(cccc23)N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)Nc6ccc(cn6)C(=O)N7CCOCC7;CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3CC(CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O","InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m0/s1","","2018-09-28","2019-03-15","(9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one","2019-03-20"],["GMX","2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one","C11 H16 N5 O8 P","OP(OC(C1C(C(C(O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O;C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23;CC(C1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O","InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/t3-,5+,6-,7-,10-/m1/s1","","2020-01-06","2020-11-13","2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one","2020-11-18"],["YW4","9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide","C28 H27 N3 O3","Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2Cc1ccccc1)C(C)(C)O;Cc1onc(C)c1c2cc3n(Cc4ccccc4)c5cc(ccc5c3c(c2)C(N)=O)C(C)(C)O;Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N","InChI=1S/C28H27N3O3/c1-16-25(17(2)34-30-16)19-12-22(27(29)32)26-21-11-10-20(28(3,4)33)14-23(21)31(24(26)13-19)15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3,(H2,29,32)","","2021-04-01","2021-09-24","9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide","2021-09-29"],["YW5","2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one","C34 H31 F N4 O","CN1CCC(CC1)c1ccc(cc1)c1ccc2CN(C(c3cccc(F)c3)c3nc4ccccc4[NH]3)C(=O)c2c1;CN1CCC(CC1)c2ccc(cc2)c3ccc4CN([CH](c5cccc(F)c5)c6[nH]c7ccccc7n6)C(=O)c4c3;CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)C(c5cccc(c5)F)c6[nH]c7ccccc7n6","InChI=1S/C34H31FN4O/c1-38-17-15-24(16-18-38)22-9-11-23(12-10-22)25-13-14-27-21-39(34(40)29(27)20-25)32(26-5-4-6-28(35)19-26)33-36-30-7-2-3-8-31(30)37-33/h2-14,19-20,24,32H,15-18,21H2,1H3,(H,36,37)/t32-/m1/s1","","2023-02-27","2024-03-08","2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one","2024-03-13"],["GMY","GELDANAMYCIN","C29 H40 N2 O9","O=C1C(OC)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(OC)C(=O)C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17-,22-,23-,24+,26-/m0/s1","","1999-07-08","2012-03-12","(4E,6Z,8S,9S,10E,12S,13R,14S,16S)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate",""],["GMZ","1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose","C7 H16 O13 P2","O=P(O)(O)OCC(O)C1OC(OP(=O)(O)O)C(O)C(O)C1O;O[CH](CO[P](O)(O)=O)[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7+/m1/s1","1,7-di-O-phosphono-D-glycero-beta-D-manno-heptose; 1,7-di-O-phosphono-D-glycero-D-manno-heptose;\n1,7-di-O-phosphono-D-glycero-manno-heptose","2012-04-04","2020-07-17","1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose","2012-12-21"],["YW6","2-(furan-3-yl)ethanoic acid","C6 H6 O3","OC(=O)Cc1cocc1;c1cocc1CC(=O)O","InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)","","2023-06-21","2023-07-07","2-(furan-3-yl)ethanoic acid","2023-07-12"],["GN0","(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one","C25 H23 Cl N2 O3 S2","OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5;c1ccc(c(c1)SC2=C(CC(NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl","InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1","inhibitor GNE-140","2015-05-19","2021-03-01","(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one","2016-05-18"],["YW7","2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide","C33 H35 N3 O4","Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2C(c1ccccc1)C1CCOCC1)C(C)(C)O;Cc1onc(C)c1c2cc3n([CH](C4CCOCC4)c5ccccc5)c6cc(ccc6c3c(c2)C(N)=O)C(C)(C)O;Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)C(c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N","InChI=1S/C33H35N3O4/c1-19-29(20(2)40-35-19)23-16-26(32(34)37)30-25-11-10-24(33(3,4)38)18-27(25)36(28(30)17-23)31(21-8-6-5-7-9-21)22-12-14-39-15-13-22/h5-11,16-18,22,31,38H,12-15H2,1-4H3,(H2,34,37)/t31-/m1/s1","","2021-04-01","2021-09-24","2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide","2021-09-29"],["GN1","2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose","C8 H16 N O9 P","O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O","InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1","2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE; N-ACETYL-D-GLUCOSAMINE-1-PHOSPHATE;\nN-acetyl-1-O-phosphono-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucose;\n2-acetamido-2-deoxy-1-O-phosphono-D-glucose; 2-acetamido-2-deoxy-1-O-phosphono-glucose","2007-01-25","2020-07-17","2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-glucopyranose",""],["YW9","4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline","C11 H13 N3","Nc1ccc(cc1)n1nc(C)cc1C;Cc1cc(C)n(n1)c2ccc(N)cc2;Cc1cc(n(n1)c2ccc(cc2)N)C","InChI=1S/C11H13N3/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,12H2,1-2H3","","2023-02-28","2023-04-21","4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline","2023-04-26"],["GN2","(2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one","C25 H23 Cl N2 O3 S2","OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5;c1ccc(c(c1)SC2=C(CC(NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl","InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m0/s1","","2016-07-28","2016-09-09","(2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one","2016-09-14"],["YWA","2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol","C30 H33 N5 O2","CC(C)(O)c1cc2n(c3cc(cnc3c2cc1)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1;Cn1nnc(C)c1c2cnc3c(c2)n([CH](C4CCOCC4)c5ccccc5)c6cc(ccc36)C(C)(C)O;Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)nc2","InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1","","2021-04-01","2021-09-24","2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol","2021-09-29"],["GN3","[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","C10 H18 N6 O16 P4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)N[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H18N6O16P4/c11-10-13-7-4(8(18)14-10)12-2-16(7)9-5(17)6(31-34(22,23)15-33(19,20)21)3(30-9)1-29-36(27,28)32-35(24,25)26/h2-3,5-6,9,17H,1H2,(H,27,28)(H2,24,25,26)(H3,11,13,14,18)(H4,15,19,20,21,22,23)/t3-,5-,6-,9-/m1/s1","","2019-06-24","2020-07-03","[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","2020-07-08"],["YWD","3-[(prop-2-yn-1-yl)oxy]propanoic acid","C6 H8 O3","O=C(O)CCOCC#C;OC(=O)CCOCC#C;C#CCOCCC(=O)O","InChI=1S/C6H8O3/c1-2-4-9-5-3-6(7)8/h1H,3-5H2,(H,7,8)","","2021-04-01","2022-10-07","3-[(prop-2-yn-1-yl)oxy]propanoic acid","2022-10-12"],["YWE","(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate","C21 H18 Cl F2 N5 O3","Cn1cnc(COC(=O)NC2CCc3c(ccc(F)c32)C(=O)Nc2ccc(F)c(Cl)c2)n1;Cn1cnc(COC(=O)N[CH]2CCc3c(ccc(F)c23)C(=O)Nc4ccc(F)c(Cl)c4)n1;Cn1cnc(n1)COC(=O)NC2CCc3c2c(ccc3C(=O)Nc4ccc(c(c4)Cl)F)F","InChI=1S/C21H18ClF2N5O3/c1-29-10-25-18(28-29)9-32-21(31)27-17-7-4-12-13(3-6-16(24)19(12)17)20(30)26-11-2-5-15(23)14(22)8-11/h2-3,5-6,8,10,17H,4,7,9H2,1H3,(H,26,30)(H,27,31)/t17-/m0/s1","","2023-03-01","2023-09-01","(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate","2023-09-06"],["GN4","2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose","C8 H16 N O9 P","O=C(C)NC1C(O)OC(C(C1O)OP(O)(O)=O)CO;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OP(=O)(O)O)O","InChI=1S/C8H16NO9P/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1","2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose; 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucose;\n2-acetamido-2-deoxy-4-O-phosphono-D-glucose; 2-acetamido-2-deoxy-4-O-phosphono-glucose","2018-05-17","2020-07-17","2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose","2018-09-05"],["GN5","2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE","C17 H19 N3 O","CC(C)(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2;CC(C)(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2","InChI=1S/C17H19N3O/c1-17(2,3)12-8-6-11(7-9-12)14-19-15-13(16(21)20-14)5-4-10-18-15/h4-10,14H,1-3H3,(H,18,19)(H,20,21)/t14-/m0/s1","","2015-03-06","2015-07-24","(2S)-2-(4-tert-butylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one","2015-07-29"],["YWF","gamma-aminobutenoic acid","C4 H7 N O2","NCC=CC(O)=O;C(C=CC(=O)O)N","InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+","(E)-4-azanylbut-2-enoic acid","2023-06-22","2024-09-27","(~{E})-4-azanylbut-2-enoic acid","2024-06-05"],["GN6","5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine","C12 H8 Cl2 N4","n12nc(nc1cccc2c3cccc(c3Cl)Cl)N;Nc1nn2c(cccc2c3cccc(Cl)c3Cl)n1;c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N","InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)","","2019-10-25","2020-03-27","5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine","2020-04-01"],["YWG","N-[(4S)-4-amino-5-oxohexyl]urea","C7 H15 N3 O2","NC(=O)NCCCC(N)C(C)=O;CC(=O)[CH](N)CCCNC(N)=O;CC(=O)C(CCCNC(=O)N)N","InChI=1S/C7H15N3O2/c1-5(11)6(8)3-2-4-10-7(9)12/h6H,2-4,8H2,1H3,(H3,9,10,12)/t6-/m0/s1","","2021-04-01","2022-10-07","N-[(4S)-4-amino-5-oxohexyl]urea","2022-10-12"],["YWI","5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine","C26 H28 Br N6 O8 P","Brc1cccc(c1)c1cccc(c1)C(=O)NCCCOP(=O)(O)OCC1OC(CC1O)n1cnc2c1N=C(N)NC2=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)OCCCNC(=O)c4cccc(c4)c5cccc(Br)c5)O3;c1cc(cc(c1)C(=O)NCCCOP(=O)(O)OCC2C(CC(O2)n3cnc4c3N=C(NC4=O)N)O)c5cccc(c5)Br","InChI=1S/C26H28BrN6O8P/c27-18-7-2-5-16(11-18)15-4-1-6-17(10-15)24(35)29-8-3-9-39-42(37,38)40-13-20-19(34)12-21(41-20)33-14-30-22-23(33)31-26(28)32-25(22)36/h1-2,4-7,10-11,14,19-21,34H,3,8-9,12-13H2,(H,29,35)(H,37,38)(H3,28,31,32,36)/t19-,20+,21+/m0/s1","","2023-03-01","2023-06-02","5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine","2023-06-07"],["GN7","N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C3c1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)N=C(N)N3;NC1=Nc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2C(=O)N1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)C(=O)NC(=N2)N","InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)15(3-12-8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","1999-07-08","2011-06-04","2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,7-dihydro-6H-purin-6-one",""],["YWJ","4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide","C25 H34 N4 O5","COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCNC1=O)C(C)=O;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C(C)=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C25H34N4O5/c1-14(2)11-20(24(32)28-19(15(3)30)12-16-7-6-10-26-23(16)31)29-25(33)21-13-17-18(27-21)8-5-9-22(17)34-4/h5,8-9,13-14,16,19-20,27H,6-7,10-12H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t16-,19-,20-/m0/s1","","2021-04-01","2024-09-27","4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide","2021-07-21"],["GN8","(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE","C17 H12 N2 O4 S2","S=C1S/C(C(=O)N1Cc2ccccc2)=Cc3cccc([N+]([O-])=O)c3O;Oc1c(cccc1[N+]([O-])=O)C=C2SC(=S)N(Cc3ccccc3)C2=O;c1ccc(cc1)CN2C(=O)C(=Cc3cccc(c3O)[N+](=O)[O-])SC2=S","InChI=1S/C17H12N2O4S2/c20-15-12(7-4-8-13(15)19(22)23)9-14-16(21)18(17(24)25-14)10-11-5-2-1-3-6-11/h1-9,20H,10H2/b14-9-","","2007-03-28","2011-06-04","(5Z)-3-benzyl-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one",""],["YWK","pentafluoropropanoic acid","C3 H F5 O2","FC(F)(F)C(F)(F)C(=O)O;OC(=O)C(F)(F)C(F)(F)F;C(=O)(C(C(F)(F)F)(F)F)O","InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)","","2023-06-22","2023-11-24","pentafluoropropanoic acid","2023-11-29"],["GN9","gallinamide A, bound form","C31 H54 N4 O7","C(C)C(C)C(C(OC(C(=O)NC(C(=O)NC(CCC(=O)N1C(=O)C=C(OC)C1C)C)CC(C)C)CC(C)C)=O)N(C)C;CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[CH](C)C(=CC1=O)OC;CCC(C)C(C(=O)OC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)CCC(=O)N1C(C(=CC1=O)OC)C)N(C)C","InChI=1S/C31H54N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h17-23,25,28H,12-16H2,1-11H3,(H,32,38)(H,33,39)/t20-,21-,22-,23-,25-,28-/m0/s1","(2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate","2020-08-30","2024-09-27","(2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate","2021-08-25"],["GNA","2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID","C12 H22 N4 O7","O=C(O)C1OC(C(O)C(O)CO)C(NC(=O)C)C(NC(=[N@H])N)C1;CC(=O)N[CH]1[CH](C[CH](O[CH]1[CH](O)[CH](O)CO)C(O)=O)NC(N)=N;CC(=O)NC1C(CC(OC1C(C(CO)O)O)C(=O)O)NC(=N)N","InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7+,8+,9+,10+/m0/s1","","1999-07-08","2020-04-13","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-erythro-L-manno-nononic acid",""],["YWM","diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate","C34 H51 N2 O12 P S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(cc4)[CH](C)O)cc1)OCC;CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc(cc2)C(C)O)O)NC(=O)OC3COC4C3CCO4)OCC","InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1","","2021-04-02","2022-04-15","diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate","2022-04-20"],["YWN","2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide","C13 H26 N2 O4","CCCCCN1[CH](CO)[CH](O)[CH](O)[CH]1CC(=O)NC;CCCCCN1C(C(C(C1CO)O)O)CC(=O)NC","InChI=1S/C13H26N2O4/c1-3-4-5-6-15-9(7-11(17)14-2)12(18)13(19)10(15)8-16/h9-10,12-13,16,18-19H,3-8H2,1-2H3,(H,14,17)/t9-,10-,12+,13-/m1/s1","","2015-08-05","2015-11-13","2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide","2015-11-18"],["GNB","S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE","C18 H24 N4 O10 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(OCc1ccc(cc1)[N+]([O-])=O)O;N[CH](CCC(=O)N[CH](CS[CH](O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1COC(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C18H24N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13,18,29H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,18?/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-{(S)-hydroxy[(4-nitrobenzyl)oxy]methyl}-L-cysteinylglycine",""],["YWO","O-(5-methyl-2-nitrophenyl)-D-tyrosinamide","C16 H17 N3 O4","O=C(N)C(N)Cc2ccc(Oc1cc(ccc1[N+]([O-])=O)C)cc2;Cc1ccc(c(Oc2ccc(C[CH](N)C(N)=O)cc2)c1)[N+]([O-])=O;Cc1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)N)N)[N+](=O)[O-]","InChI=1S/C16H17N3O4/c1-10-2-7-14(19(21)22)15(8-10)23-12-5-3-11(4-6-12)9-13(17)16(18)20/h2-8,13H,9,17H2,1H3,(H2,18,20)/t13-/m1/s1","","2014-08-20","2014-10-03","O-(5-methyl-2-nitrophenyl)-D-tyrosinamide","2014-10-08"],["GNC","N~2~-methyl-L-glutamine","C6 H12 N2 O3","O=C(O)C(NC)CCC(=O)N;CN[CH](CCC(N)=O)C(O)=O;CNC(CCC(=O)N)C(=O)O","InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1","","2011-11-30","2024-09-27","N~2~-methyl-L-glutamine","2012-11-16"],["YWP","diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate","C34 H51 N2 O12 P S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(cc4)[CH](C)O)cc1)OCC;CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc(cc2)C(C)O)O)NC(=O)OC3COC4C3CCO4)OCC","InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29+,30+,31-,32+,33-/m1/s1","","2021-04-02","2022-04-15","diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate","2022-04-20"],["GND","2-AMINO-5-GUANIDINO-PENTANOIC ACID","C6 H15 N4 O2","O=C(O)C(CCCNC(=[N@H])N)[NH3+];NC(=N)NCCC[CH]([NH3+])C(O)=O;[H]N=C(N)NCCCC(C(=O)O)[NH3+]","InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1","L-argininium(2+); L-argininediium","2003-01-17","2024-09-05","(1S)-4-carbamimidamido-1-carboxybutan-1-aminium",""],["GNE","1,N2-ETHENOGUANINE","C12 H14 N5 O7 P","O=C2c3ncn(c3N=C1NC=CN12)C4OC(C(O)C4)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O","InChI=1S/C12H14N5O7P/c18-6-3-8(24-7(6)4-23-25(20,21)22)17-5-14-9-10(17)15-12-13-1-2-16(12)11(9)19/h1-2,5-8,18H,3-4H2,(H,13,15)(H2,20,21,22)/t6-,7+,8+/m0/s1","","2005-04-27","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydro-9H-imidazo[1,2-a]purin-9-one",""],["YWQ","uridine 5'-heptaphosphate","C9 H19 N2 O27 P7","O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H19N2O27P7/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(32-8)3-31-40(19,20)34-42(23,24)36-44(27,28)38-45(29,30)37-43(25,26)35-41(21,22)33-39(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,10,12,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1","","2023-03-02","2024-03-01","1-{5-O-[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-beta-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione","2024-03-06"],["YWR","K2[Ru2(DAniF)(CO3)3]","C18 H16 N2 O11 Ru2","COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45OC(=O)O[Ru]2(OC(=O)O4)OC(=O)O5;COc1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccc(cc6)OC","InChI=1S/C15H16N2O2.3CH2O3.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;3*2-1(3)4;;/h3-10H,11H2,1-2H3;3*(H2,2,3,4);;/q-2;;;;2*+4/p-6","","2023-06-22","2023-07-14","","2023-07-19"],["GNF","N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE","C25 H32 N4 O3","O=C(NCCNc1ccc(OC)cc1)C(Nc2nc3ccccc3o2)CC4CCCCC4;COc1ccc(NCCNC(=O)[CH](CC2CCCCC2)Nc3oc4ccccc4n3)cc1;COc1ccc(cc1)NCCNC(=O)C(CC2CCCCC2)Nc3nc4ccccc4o3","InChI=1S/C25H32N4O3/c1-31-20-13-11-19(12-14-20)26-15-16-27-24(30)22(17-18-7-3-2-4-8-18)29-25-28-21-9-5-6-10-23(21)32-25/h5-6,9-14,18,22,26H,2-4,7-8,15-17H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1","","2006-03-22","2011-06-04","N~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide",""],["YWS","diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate","C35 H53 N2 O12 P S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(C[CH](C)CC)[S](=O)(=O)c4ccc(cc4)[CH](C)O)cc1)OCC;CCC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C35H53N2O12PS/c1-6-24(4)20-37(51(42,43)29-15-11-27(12-16-29)25(5)38)21-32(39)31(36-35(40)49-33-22-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-23-50(41,47-7-2)48-8-3/h9-16,24-25,30-34,38-39H,6-8,17-23H2,1-5H3,(H,36,40)/t24-,25-,30-,31-,32+,33-,34+/m0/s1","","2021-04-02","2022-04-15","diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate","2022-04-20"],["GNG","2'-DEOXY-GUANOSINE","C10 H13 N5 O4","O=C3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO;NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1;c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N","InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1","","2003-02-13","2026-01-21","2'-deoxyguanosine",""],["GNH","AMINOPHOSPHONIC ACID-GUANYLATE ESTER","C10 H16 N6 O10 P2","O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](N)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(N)O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N6O10P2/c11-10-14-7-4(8(19)15-10)13-2-16(7)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(12,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H3,12,20,21)(H3,11,14,15,19)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(S)-{[(R)-amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["YWV","[Ru2(DPhF)(Formate)]","C14 H14 N2 O2 Ru2","C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3;c1ccc(cc1)N2CN([Ru]3[Ru]2OCO3)c4ccccc4","InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;/h1-10H,11H2;1H2;;/q2*-2;2*+2","","2023-06-22","2023-09-08","6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane","2023-09-13"],["YWX","2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one","C19 H13 F3 N6 O","O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F;FC(F)(F)c1ccccc1c2cnc3cn(cc3c2)C(=O)Cn4cnc(C=N)n4;c1ccc(c(c1)c2cc3cn(cc3nc2)C(=O)Cn4cnc(n4)C=N)C(F)(F)F","InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6-","inhibitor CT1, bound form","2023-03-02","2024-09-27","2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one","2023-07-12"],["GNI","(3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID","C26 H20 Cl2 N2 O5","Clc4ccc(OCCNC(=O)c2c(onc2c1cc(ccc1)CC(=O)O)c3ccccc3)c(Cl)c4;OC(=O)Cc1cccc(c1)c2noc(c3ccccc3)c2C(=O)NCCOc4ccc(Cl)cc4Cl;c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl","InChI=1S/C26H20Cl2N2O5/c27-19-9-10-21(20(28)15-19)34-12-11-29-26(33)23-24(18-8-4-5-16(13-18)14-22(31)32)30-35-25(23)17-6-2-1-3-7-17/h1-10,13,15H,11-12,14H2,(H,29,33)(H,31,32)","","2006-08-08","2011-06-04","[3-(4-{[2-(2,4-dichlorophenoxy)ethyl]carbamoyl}-5-phenylisoxazol-3-yl)phenyl]acetic acid",""],["YWY","2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol","C30 H32 F N5 O2","Cc1nnn(C)c1c1cc2n(c3cc(cnc3c2cc1F)C(C)(C)O)C(C1CCOCC1)c1ccccc1;Cn1nnc(C)c1c2cc3n([CH](C4CCOCC4)c5ccccc5)c6cc(cnc6c3cc2F)C(C)(C)O;Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3C(c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O","InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1","","2021-04-02","2021-09-24","2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol","2021-09-29"],["GNJ","4-hydroxy-8-sulfoquinoline-3-carboxylic acid","C10 H7 N O6 S","c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O;OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O;c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O","InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)","","2018-05-30","2020-06-01","4-hydroxy-8-sulfoquinoline-3-carboxylic acid","2019-05-29"],["GNK","(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one","C15 H18 Cl N O","Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1;c1cc(ccc1CCN2C3CCC2CC(=O)C3)Cl","InChI=1S/C15H18ClNO/c16-12-3-1-11(2-4-12)7-8-17-13-5-6-14(17)10-15(18)9-13/h1-4,13-14H,5-10H2/t13-,14+","","2018-09-28","2019-02-22","(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one","2019-02-27"],["YWZ","4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate","C23 H27 F O8 S","O=S(=O)(Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2)F;F[S](=O)(=O)Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2;C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F","InChI=1S/C23H27FO8S/c1-2-11-27-12-13-28-14-15-29-16-17-30-18-19-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)32-33(24,25)26/h1,3-10H,11-19H2","","2016-02-11","2024-09-27","4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate","2016-06-01"],["GNL","(3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","C8 H13 N O4 S","N1=C(SC2OC(C(O)C(O)C12)CO)C;CC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CC1=NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1","","2011-08-11","2012-06-01","(3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol",""],["YX0","[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside","C12 H19 N O7","O(CC=1ONC(=C(O)C)C=1)C2OC(C(O)C(O)C2O)C;C[CH]1O[CH](OCC2=CC(NO2)=C(C)O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCC2=CC(=C(C)O)NO2)O)O)O","InChI=1S/C12H19NO7/c1-5(14)8-3-7(20-13-8)4-18-12-11(17)10(16)9(15)6(2)19-12/h3,6,9-17H,4H2,1-2H3/b8-5+/t6-,9+,10+,11-,12+/m0/s1","[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside;\n[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucoside;\n[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl L-fucoside;\n[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl fucoside","2008-05-22","2020-07-17","[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside",""],["YX1","2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose","C8 H17 N3 O7","O=C(NC1C(O)C(O)C(OC1O)CO)N(NO)C;CN(NO)C(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CN(C(=O)NC1C(C(C(OC1O)CO)O)O)NO","InChI=1S/C8H17N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,10,12-15,17H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1","2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucose;\n2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-D-glucose;\n2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-glucose","2008-05-29","2020-07-17","2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose",""],["GNM","8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C10 H6 Br N O3","c2c(c1c(C(C(C(O)=O)=CN1)=O)cc2)Br;OC(=O)C1=CNc2c(Br)cccc2C1=O;c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O","InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)","","2018-05-30","2019-05-24","8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2019-05-29"],["GNO","2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid","C24 H22 N4 O5 S","OC(=O)COc1cccc(CN(Cc2ccc(cc2)n3cccn3)[S](=O)(=O)c4cccnc4)c1;c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4","InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)","","2020-09-04","2021-04-30","2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid","2021-05-05"],["YX2","3-propanamido-1-benzofuran-2-carboxamide","C12 H12 N2 O3","CCC(=O)Nc1c2ccccc2oc1C(N)=O;CCC(=O)Nc1c(oc2ccccc12)C(N)=O;CCC(=O)Nc1c2ccccc2oc1C(=O)N","InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15)","","2023-06-22","2023-07-07","3-propanamido-1-benzofuran-2-carboxamide","2023-07-12"],["YX4","2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol","C29 H30 F2 N6 O2","CC(C)(O)c1ccc2c(n(c3cc(cnc32)c2c(C)nnn2C)C(C2CCOCC2)c2ncccc2F)c1F;Cn1nnc(C)c1c2cnc3c(c2)n([CH](C4CCOCC4)c5ncccc5F)c6c(F)c(ccc36)C(C)(C)O;Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3C(c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2","InChI=1S/C29H30F2N6O2/c1-16-26(36(4)35-34-16)18-14-22-24(33-15-18)19-7-8-20(29(2,3)38)23(31)28(19)37(22)27(17-9-12-39-13-10-17)25-21(30)6-5-11-32-25/h5-8,11,14-15,17,27,38H,9-10,12-13H2,1-4H3/t27-/m0/s1","","2021-04-02","2021-05-21","2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol","2021-05-26"],["GNP","PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER","C10 H17 N6 O13 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine",""],["GNQ","N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE","C25 H31 F3 N4 O6 S","O=C(NC(C(=O)NC(C)CNc1ccc(OC(F)(F)F)cc1)CS(=O)(=O)Cc2ccccc2)N3CCOCC3;C[CH](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[CH](C[S](=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3;CC(CNc1ccc(cc1)OC(F)(F)F)NC(=O)C(CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3","InChI=1S/C25H31F3N4O6S/c1-18(15-29-20-7-9-21(10-8-20)38-25(26,27)28)30-23(33)22(31-24(34)32-11-13-37-14-12-32)17-39(35,36)16-19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1","","2006-06-28","2011-06-04","N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide",""],["YX5","N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide","C19 H22 N6 O3 S","O=C(Cc1ccc(NS(=O)(=O)CC)cc1)N1CCN(CC1)c1ccc(C#N)nn1;CC[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1;CCS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N","InChI=1S/C19H22N6O3S/c1-2-29(27,28)23-16-5-3-15(4-6-16)13-19(26)25-11-9-24(10-12-25)18-8-7-17(14-20)21-22-18/h3-8,23H,2,9-13H2,1H3","","2022-03-22","2023-03-24","N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide","2023-03-29"],["YX6","N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide","C9 H11 N3 O2 S","O=C(NC1CCC(=O)NC1)c1cscn1;O=C1CC[CH](CN1)NC(=O)c2cscn2;c1c(ncs1)C(=O)NC2CCC(=O)NC2","InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1","","2023-06-22","2023-07-07","N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide","2023-07-12"],["GNR","2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE","C10 H10 N2 O3 S","O=C1Nc2c(SC1CC(=O)NO)cccc2;ONC(=O)C[CH]1Sc2ccccc2NC1=O;c1ccc2c(c1)NC(=O)C(S2)CC(=O)NO","InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)/t8-/m1/s1","","2004-01-08","2011-06-04","N-hydroxy-2-[(2R)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide",""],["YX7","[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid","C9 H19 B N2 O4","O=C(NC(CC(N)=O)B(O)O)CCCCC;CCCCCC(=O)N[CH](CC(N)=O)B(O)O;B(C(CC(=O)N)NC(=O)CCCCC)(O)O","InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1","","2021-04-05","2024-09-27","[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid","2022-09-28"],["GNS","2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose","C6 H13 N O8 S","O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O","InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1","N-SULFO-ALPHA-D-GLUCOSAMINE; 2-deoxy-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-2-(sulfoamino)-D-glucose;\n2-deoxy-2-(sulfoamino)-glucose","2005-10-31","2020-07-17","2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose",""],["YX9","(5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one","C21 H29 F2 N5 O2","FC(F)(c1ccccc1)C(O)CCC1CCC(=O)N1CCCCCCc1nnn[NH]1;O[CH](CC[CH]1CCC(=O)N1CCCCCCc2[nH]nnn2)C(F)(F)c3ccccc3;c1ccc(cc1)C(C(CCC2CCC(=O)N2CCCCCCc3[nH]nnn3)O)(F)F","InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,17-18,29H,1-2,6-7,10-15H2,(H,24,25,26,27)/t17-,18+/m0/s1","","2023-03-02","2023-12-29","(5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one","2024-01-03"],["GNT","(-)-GALANTHAMINE","C17 H21 N O3","OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)C;COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c24;CN1CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O","InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1","","1999-07-08","2011-06-04","galanthamine",""],["GNU","(2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol","C20 H26 O6","COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O;COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2)OC)O)CO","InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1","(+)-secoisolariciresinol","2020-09-04","2021-06-04","(2~{S},3~{S})-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol","2021-06-09"],["YXA","5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid","C15 H12 Br N O3","OC(=O)c1cc(Cn2ccc3ccc(Br)cc32)oc1C;Cc1oc(Cn2ccc3ccc(Br)cc23)cc1C(O)=O;Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O","InChI=1S/C15H12BrNO3/c1-9-13(15(18)19)7-12(20-9)8-17-5-4-10-2-3-11(16)6-14(10)17/h2-7H,8H2,1H3,(H,18,19)","","2021-04-05","2021-06-18","5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid","2021-06-23"],["YXB","N-[(1H-indol-4-yl)methyl]ethanamine","C11 H14 N2","CCNCc1cccc2[NH]ccc12;CCNCc1cccc2[nH]ccc12;CCNCc1cccc2c1cc[nH]2","InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3","","2023-06-22","2023-07-07","N-[(1H-indol-4-yl)methyl]ethanamine","2023-07-12"],["GNV","4-hydroxyquinoline-3,8-dicarboxylic acid","C11 H7 N O5","c2cc(c1c(c(c(C(O)=O)cn1)O)c2)C(O)=O;OC(=O)c1cccc2c(O)c(cnc12)C(O)=O;c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O","InChI=1S/C11H7NO5/c13-9-5-2-1-3-6(10(14)15)8(5)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)","","2018-05-30","2019-05-24","4-hydroxyquinoline-3,8-dicarboxylic acid","2019-05-29"],["YXD","N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide","C23 H25 F3 N6 O2","Cn1cc(cn1)c1nc(ccc1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C1)C(C)(C)O;Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cc(cnc3C(F)(F)F)N4CC[CH](C4)C(C)(C)O;CC(C)(C1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O","InChI=1S/C23H25F3N6O2/c1-22(2,34)15-7-8-32(13-15)16-9-19(20(27-11-16)23(24,25)26)30-21(33)18-6-4-5-17(29-18)14-10-28-31(3)12-14/h4-6,9-12,15,34H,7-8,13H2,1-3H3,(H,30,33)/t15-/m0/s1","","2021-04-05","2021-06-11","N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide","2021-06-16"],["GNW","1-[(3-chlorophenyl)methyl]piperazine","C11 H15 Cl N2","Clc1cccc(CN2CCNCC2)c1;c1cc(cc(c1)Cl)CN2CCNCC2","InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2","","2018-09-29","2019-02-22","1-[(3-chlorophenyl)methyl]piperazine","2019-02-27"],["YXF","4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline","C12 H15 N3","Nc1ccc(cc1)n1nc(cc1C)CC;CCc1cc(C)n(n1)c2ccc(N)cc2;CCc1cc(n(n1)c2ccc(cc2)N)C","InChI=1S/C12H15N3/c1-3-11-8-9(2)15(14-11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3","","2023-03-03","2023-04-21","4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline","2023-04-26"],["GNX","2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose","C6 H13 N O11 S2","O=S(=O)(O)OC1C(O)C(OC(O)C1NS(=O)(=O)O)CO;OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O;C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O","InChI=1S/C6H13NO11S2/c8-1-2-4(9)5(18-20(14,15)16)3(6(10)17-2)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1","2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-3-O-sulfo-2-(sulfoamino)-D-glucose;\n2-deoxy-3-O-sulfo-2-(sulfoamino)-glucose","2011-11-03","2020-07-17","2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose","2012-11-23"],["YXG","Milvexian","C28 H23 Cl2 F2 N9 O2","Clc1cn(nn1)c1ccc(Cl)cc1C=1N=CN(C(=O)C=1)C1CCCC(C)C(=O)Nc2cnn(C(F)F)c2c2cc1ncc2;C[CH]1CCC[CH](N2C=NC(=CC2=O)c3cc(Cl)ccc3n4cc(Cl)nn4)c5cc(ccn5)c6n(ncc6NC1=O)C(F)F;CC1CCCC(c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl","InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1","BMS-986177; (6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one","2021-04-05","2021-09-10","(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one","2021-09-15"],["GNY","4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid","C13 H13 N O3","c2c(c(c1c(c(C(C)C)ccc1)n2)O)C(O)=O;CC(C)c1cccc2c(O)c(cnc12)C(O)=O;CC(C)c1cccc2c1ncc(c2O)C(=O)O","InChI=1S/C13H13NO3/c1-7(2)8-4-3-5-9-11(8)14-6-10(12(9)15)13(16)17/h3-7H,1-2H3,(H,14,15)(H,16,17)","","2018-05-30","2019-05-24","4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid","2019-05-29"],["GNZ","(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one","C16 H18 F3 N O","FC(F)(F)c1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1;c1cc(ccc1CCN2C3CCC2CC(=O)C3)C(F)(F)F","InChI=1S/C16H18F3NO/c17-16(18,19)12-3-1-11(2-4-12)7-8-20-13-5-6-14(20)10-15(21)9-13/h1-4,13-14H,5-10H2/t13-,14+","","2018-09-29","2019-02-22","(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one","2019-02-27"],["YXH","1-(1H-benzimidazol-2-yl)methanamine","C8 H9 N3","NCc1nc2ccccc2[NH]1;NCc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)CN","InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)","","2023-06-22","2023-07-07","1-(1H-benzimidazol-2-yl)methanamine","2023-07-12"],["YXJ","5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide","C21 H28 N6 O","NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1;NC(=O)c1ncc(nc1Nc2ccc(cc2)C3CCNCC3)N4CCCCC4;c1cc(ccc1C2CCNCC2)Nc3c(ncc(n3)N4CCCCC4)C(=O)N","InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)","","2023-03-03","2024-01-26","5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide","2024-01-31"],["GO0","3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid","C11 H7 Cl2 N O4","O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O;OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O;c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl","InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18)","","2010-05-26","2011-06-04","3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid",""],["GO1","3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid","C11 H7 Cl2 N O4","O=C(O)Cc2c1cc(Cl)cc(Cl)c1nc2C(=O)O;OC(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O;c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl","InChI=1S/C11H7Cl2NO4/c12-4-1-5-6(3-8(15)16)10(11(17)18)14-9(5)7(13)2-4/h1-2,14H,3H2,(H,15,16)(H,17,18)","","2010-05-26","2011-06-04","3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid",""],["YXK","[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile","C7 H6 F3 N3","FC(F)(F)Cn1ccnc1CC#N;FC(F)(F)Cn1ccnc1CC#N;c1cn(c(n1)CC#N)CC(F)(F)F","InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2","","2023-06-22","2023-07-07","[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile","2023-07-12"],["GO2","1-(1,3-benzothiazol-2-yl)guanidine","C8 H8 N4 S","NC(=N)Nc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)NC(=N)N","InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)","","2018-09-29","2019-02-22","1-(1,3-benzothiazol-2-yl)guanidine","2019-02-27"],["YXM","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide","C32 H35 N2 O5 P","[O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)CCCCP(c1ccccc1)(c1ccccc1)c1ccccc1;OC[CH](NC(=O)CCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)[CH](O)c4ccc(cc4)[N+]([O-])=O;c1ccc(cc1)P(CCCCC(=O)NC(CO)C(c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4","InChI=1S/C32H35N2O5P/c35-24-30(32(37)25-19-21-26(22-20-25)34(38)39)33-31(36)18-10-11-23-40(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,19-22,30,32,35,37,40H,10-11,18,23-24H2,(H,33,36)/t30-,32-/m1/s1","","2021-04-05","2021-04-16","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide","2021-04-21"],["YXN","4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline","C12 H15 N3","Nc1ccc(cc1)n1nc(C)cc1CC;CCc1cc(C)nn1c2ccc(N)cc2;CCc1cc(nn1c2ccc(cc2)N)C","InChI=1S/C12H15N3/c1-3-11-8-9(2)14-15(11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3","","2023-03-03","2023-04-21","4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline","2023-04-26"],["GO3","Gossypol","C30 H30 O8","CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O;Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O","InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3","","2021-08-03","2023-07-21","7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde","2023-07-26"],["YXO","1-(difluoromethyl)-1H-indol-5-amine","C9 H8 F2 N2","FC(F)n1ccc2cc(N)ccc21;Nc1ccc2n(ccc2c1)C(F)F;c1cc2c(ccn2C(F)F)cc1N","InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2","","2023-06-22","2023-07-07","1-(difluoromethyl)-1H-indol-5-amine","2023-07-12"],["GO4","5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide","C28 H25 F N6 O2","C[CH](NC(=O)c1cn(C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)c6;CC(c1cccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c4)nc(n5)NC(=O)C6CC6)C","InChI=1S/C28H25FN6O2/c1-16(18-4-3-5-21(29)12-18)30-27(37)23-15-34(2)24-9-8-19(13-22(23)24)20-10-11-35-25(14-20)31-28(33-35)32-26(36)17-6-7-17/h3-5,8-17H,6-7H2,1-2H3,(H,30,37)(H,32,33,36)/t16-/m0/s1","","2022-05-16","2023-04-21","5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-~{N}-[(1~{S})-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide","2023-04-26"],["YXP","{(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid","C13 H11 N O5 S","OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O;COc1ccc(cc1)C=C2SC(=O)N(CC(O)=O)C2=O;COc1ccc(cc1)C=C2C(=O)N(C(=O)S2)CC(=O)O","InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-","","2021-04-06","2021-07-30","{(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid","2021-08-04"],["GO5","(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one","C16 H20 Cl N O","Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1;c1cc(ccc1CCN2C3CCCC2CC(=O)C3)Cl","InChI=1S/C16H20ClNO/c17-13-6-4-12(5-7-13)8-9-18-14-2-1-3-15(18)11-16(19)10-14/h4-7,14-15H,1-3,8-11H2/t14-,15+","","2018-09-29","2019-02-22","(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one","2019-02-27"],["YXR","(2R)-sulfonatepropionyl-CoA","C24 H40 N7 O20 P3 S2","OP(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)S(O)(=O)=O)(O)=O)(O)=O)(O)=O;C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[S](O)(=O)=O;CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O","InChI=1S/C24H40N7O20P3S2/c1-12(56(44,45)46)23(36)55-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-48-54(42,43)51-53(40,41)47-8-13-17(50-52(37,38)39)16(33)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13-,16-,17-,18+,22-/m1/s1","(2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]me\nthoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfany\nl]-1-oxidanylidene-propane-2-sulfonic acid","2018-12-03","2020-06-17","(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)","2019-04-10"],["GO6","(2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol","C20 H26 O6","COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O;COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2)OC)O)CO","InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1","(-)-secoisolariciresinol","2020-09-04","2021-06-04","(2~{R},3~{R})-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol","2021-06-09"],["YXS","(2S)-sulfonatepropionyl-CoA","C24 H40 N7 O20 P3 S2","O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(S(O)(=O)=O)C)(O)=O)(O)=O)(O)O;C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[S](O)(=O)=O;CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O","InChI=1S/C24H40N7O20P3S2/c1-12(56(44,45)46)23(36)55-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-48-54(42,43)51-53(40,41)47-8-13-17(50-52(37,38)39)16(33)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1","(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propane-2-sulfonic acid","2019-02-25","2021-03-13","(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)","2019-04-10"],["GO7","2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide","C25 H28 F4 N2 O6","c1c(C(N)=O)c(cc(c1)OCC(C)(C)O)OC3CCN(C(=O)Cc2ccc(cc2)OC(F)(F)F)CC3F;CC(C)(O)COc1ccc(C(N)=O)c(O[CH]2CCN(C[CH]2F)C(=O)Cc3ccc(OC(F)(F)F)cc3)c1;CC(C)(COc1ccc(c(c1)OC2CCN(CC2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O","InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1","","2018-05-30","2018-07-06","2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide","2018-07-11"],["YXT","ralimetinib","C24 H29 F N6","Fc1ccc(cc1)c1nc([NH]c1c1ccc2nc(N)n(CC(C)(C)C)c2n1)C(C)(C)C;CC(C)(C)Cn1c(N)nc2ccc(nc12)c3[nH]c(nc3c4ccc(F)cc4)C(C)(C)C;CC(C)(C)Cn1c2c(ccc(n2)c3c(nc([nH]3)C(C)(C)C)c4ccc(cc4)F)nc1N","InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)","(5P)-5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine","2023-03-03","2023-10-06","(5P)-5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine","2023-10-11"],["GO8","8-propan-2-ylsulfanyl-7~{H}-purin-6-amine","C8 H11 N5 S","CC(C)Sc1[nH]c2c(N)ncnc2n1;CC(C)Sc1[nH]c2c(ncnc2n1)N","InChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13)","","2018-09-29","2019-02-22","8-propan-2-ylsulfanyl-7~{H}-purin-6-amine","2019-02-27"],["GO9","3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol","C13 H28 O8","OCCOCCOCC(CO)(COCCO)COCCO;C(COCCOCC(CO)(COCCO)COCCO)O","InChI=1S/C13H28O8/c14-1-4-18-7-8-21-12-13(9-17,10-19-5-2-15)11-20-6-3-16/h14-17H,1-12H2","","2020-09-11","2021-03-26","3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol","2021-03-31"],["YXU","5-methoxy-1H-pyrrolo[3,2-b]pyridine","C8 H8 N2 O","COc1ccc2[NH]ccc2n1;COc1ccc2[nH]ccc2n1;COc1ccc2c(n1)cc[nH]2","InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3","","2023-06-22","2023-07-07","5-methoxy-1H-pyrrolo[3,2-b]pyridine","2023-07-12"],["GOA","GLYCOLIC ACID","C2 H4 O3","O=C(O)CO;OCC(O)=O;C(C(=O)O)O","InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)","HYDROXYACETIC ACID; HYDROXYETHANOIC ACID","1999-07-21","2026-02-23","hydroxyacetic acid",""],["YXW","3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide","C21 H23 F2 N O4","OC1(CNC(=O)c2ccc(O)c(F)c2)CCC(CC1)COc1ccccc1F;Oc1ccc(cc1F)C(=O)NC[C]2(O)CC[CH](CC2)COc3ccccc3F;c1ccc(c(c1)OCC2CCC(CC2)(CNC(=O)c3ccc(c(c3)F)O)O)F","InChI=1S/C21H23F2NO4/c22-16-3-1-2-4-19(16)28-12-14-7-9-21(27,10-8-14)13-24-20(26)15-5-6-18(25)17(23)11-15/h1-6,11,14,25,27H,7-10,12-13H2,(H,24,26)/t14-,21-","","2023-03-03","2023-08-04","3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide","2023-08-09"],["YXX","chloro(1-{5-[di(pyridin-2-yl-kappaN)amino]pentyl}pyrrolidine-2,5-dione)ruthenium","C19 H22 Cl N4 O2 Ru","O=C1N(C(=O)CC1)CCCCCN3c2n(cccc2)[Ru](Cl)n4c3cccc4;Cl[Ru]|1|n2ccccc2N(CCCCCN3C(=O)CCC3=O)c4ccccn|14;C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl","InChI=1S/C19H22N4O2.ClH.Ru/c24-18-10-11-19(25)23(18)15-7-1-6-14-22(16-8-2-4-12-20-16)17-9-3-5-13-21-17;;/h2-5,8-9,12-13H,1,6-7,10-11,14-15H2;1H;/q;;+1/p-1","","2013-05-27","2014-06-20","chloro(1-{5-[di(pyridin-2-yl-kappaN)amino]pentyl}pyrrolidine-2,5-dione)ruthenium","2014-06-25"],["GOB","4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid","C24 H25 N3 O7 S","O=S(=O)(N(c1ccccc1)c2ccc(N)cc2)c3cc(c(OC)cc3OC)NC(=O)CCC(=O)O;COc1cc(OC)c(cc1NC(=O)CCC(O)=O)[S](=O)(=O)N(c2ccccc2)c3ccc(N)cc3;COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC","InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)","","2011-10-05","2011-10-14","4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid",""],["YXY","4,4-difluorocyclohexane-1-carboxamide","C7 H11 F2 N O","FC1(F)CCC(CC1)C(N)=O;NC(=O)C1CCC(F)(F)CC1;C1CC(CCC1C(=O)N)(F)F","InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11)","","2023-06-22","2024-09-27","4,4-difluorocyclohexane-1-carboxamide","2023-07-12"],["GOC","N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide","C27 H23 N3 O2 S","Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1;Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5","InChI=1S/C27H23N3O2S/c1-17-8-13-24(18(2)14-17)30-26(22-15-33-16-23(22)29-30)28-27(32)21-11-9-20(10-12-21)25(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,32)","","2020-09-15","2021-01-22","~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide","2021-01-27"],["YXZ","chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium","C15 H20 Cl N4 Ru","Cl[Ru]3n1ccccc1N(c2n3cccc2)CCCCCN;NCCCCCN1c2ccccn2|[Ru](Cl)|n3ccccc13;C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN","InChI=1S/C15H20N4.ClH.Ru/c16-10-4-1-7-13-19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;;/h2-3,5-6,8-9,11-12H,1,4,7,10,13,16H2;1H;/q;;+1/p-1","","2013-05-24","2014-06-20","chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium","2014-06-25"],["GOD","6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide","C20 H19 F5 N4 O4","c3c(cc(OC2C(F)(CN(C(=O)Cc1ccc(cc1)OC(F)(F)F)C2)F)c(N)n3)C(=O)NC;CNC(=O)c1cnc(N)c(O[CH]2CN(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc3)c1;CNC(=O)c1cc(c(nc1)N)OC2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F","InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1","","2018-05-30","2018-07-06","6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide","2018-07-11"],["YY1","5-methyl-4H-1,2,4-triazole-3-thiol","C3 H5 N3 S","Sc1nnc(n1)C;Cc1[nH]c(S)nn1;Cc1[nH]c(nn1)S","InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","","2014-10-24","2020-05-30","5-methyl-4H-1,2,4-triazole-3-thiol","2014-11-05"],["GOE","1-(6-methylpyridin-2-yl)-3-propyl-urea","C10 H15 N3 O","CCCNC(=O)Nc1cccc(C)n1;CCCNC(=O)Nc1cccc(n1)C","InChI=1S/C10H15N3O/c1-3-7-11-10(14)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H2,11,12,13,14)","","2018-09-29","2019-02-22","1-(6-methylpyridin-2-yl)-3-propyl-urea","2019-02-27"],["GOF","N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide","C26 H21 N3 O5 S","COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5;COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5","InChI=1S/C26H21N3O5S/c1-34-21-13-11-20(12-14-21)29-25(22-15-35(32,33)16-23(22)28-29)27-26(31)19-9-7-18(8-10-19)24(30)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,27,31)","","2020-09-15","2021-01-22","~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide","2021-01-27"],["YY2","2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide","C14 H21 Cl N2 O3","Clc1cc(cc(OC)c1OCC(=O)NC(C)(C)C)CN;COc1cc(CN)cc(Cl)c1OCC(=O)NC(C)(C)C;CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC","InChI=1S/C14H21ClN2O3/c1-14(2,3)17-12(18)8-20-13-10(15)5-9(7-16)6-11(13)19-4/h5-6H,7-8,16H2,1-4H3,(H,17,18)","","2014-10-24","2020-05-30","2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide","2014-11-05"],["GOG","3-hydroxybenzene-1,2-dicarboxylic acid","C8 H6 O5","c1(c(C(O)=O)cccc1O)C(O)=O;OC(=O)c1cccc(O)c1C(O)=O;c1cc(c(c(c1)O)C(=O)O)C(=O)O","InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)","","2018-05-30","2019-05-24","3-hydroxybenzene-1,2-dicarboxylic acid","2019-05-29"],["YY3","N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide","C28 H33 N7 O2","CN(CCN(c1cc(c(cc1NC(C=C)=O)Nc2nc(ccn2)c3cn(c4c3cccc4)C)OC)C)C;COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34;Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C","InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)","Osimertinib; AZD 9291","2015-04-14","2024-09-27","N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide","2015-11-11"],["GOH","5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole","C11 H10 N6 O","C1CC1c2oc(n3cccc3)c(n2)c4[nH]nnn4;c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4","InChI=1S/C11H10N6O/c1-2-6-17(5-1)11-8(9-13-15-16-14-9)12-10(18-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,13,14,15,16)","","2015-09-10","2015-12-11","2-cyclopropyl-5-pyrrol-1-yl-4-(1H-1,2,3,4-tetrazol-5-yl)-1,3-oxazole","2015-12-16"],["YY4","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C30 H33 Cl2 N7 O4","COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(C5)C([C@H]=CCN(C)C)=O)=O;COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4ccccc4)nc3N([CH]5CCN(C5)C(=O)C=CCN(C)C)C2=O)c1Cl;CN(C)CC=CC(=O)N1CCC(C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl","InChI=1S/C30H33Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h5-11,15-16,21H,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1","","2017-02-03","2019-01-11","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","2019-01-16"],["GOI","2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-D-glucopyranoside","C29 H39 N3 O6","O(CCN4CCN(CCCN3c1ccccc1C=Cc2ccccc23)CC4)C5OC(C(O)C(O)C5O)CO;OC[CH]1O[CH](OCCN2CCN(CCCN3c4ccccc4C=Cc5ccccc35)CC2)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCOC5C(C(C(C(O5)CO)O)O)O","InChI=1S/C29H39N3O6/c33-20-25-26(34)27(35)28(36)29(38-25)37-19-18-31-16-14-30(15-17-31)12-5-13-32-23-8-3-1-6-21(23)10-11-22-7-2-4-9-24(22)32/h1-4,6-11,25-29,33-36H,5,12-20H2/t25-,26-,27+,28-,29-/m1/s1","","2011-10-20","2012-06-29","2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-D-glucopyranoside",""],["YY5","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C27 H35 Cl2 N7 O4","COc1cc(OC)c(Cl)c(c1Cl)N2C(N(c3c(C2)cnc(NC(C)C)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O;COc1cc(OC)c(Cl)c(N2Cc3cnc(NC(C)C)nc3N([CH]4CCN(C4)C(=O)C=CCN(C)C)C2=O)c1Cl;CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)C4CCN(C4)C(=O)C=CCN(C)C","InChI=1S/C27H35Cl2N7O4/c1-16(2)31-26-30-13-17-14-35(24-22(28)19(39-5)12-20(40-6)23(24)29)27(38)36(25(17)32-26)18-9-11-34(15-18)21(37)8-7-10-33(3)4/h7-8,12-13,16,18H,9-11,14-15H2,1-6H3,(H,30,31,32)/b8-7+/t18-/m0/s1","","2017-02-03","2019-01-11","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","2019-01-16"],["YY6","7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C30 H39 Cl2 N7 O4","COc1cc(OC)c(Cl)c(c1Cl)N4Cc3cnc(NC2CCCCC2)nc3N(C4=O)C5CCN(C5)C([C@H]=CCN(C)C)=O;COc1cc(OC)c(Cl)c(N2Cc3cnc(NC4CCCCC4)nc3N([CH]5CCN(C5)C(=O)C=CCN(C)C)C2=O)c1Cl;CN(C)CC=CC(=O)N1CCC(C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl","InChI=1S/C30H39Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h8,11,15-16,20-21H,5-7,9-10,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1","","2017-02-03","2019-01-11","7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","2019-01-16"],["GOJ","ethyl 1~{H}-pyrazole-4-carboxylate","C6 H8 N2 O2","CCOC(=O)c1c[nH]nc1;CCOC(=O)c1c[nH]nc1","InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)","","2018-05-31","2018-12-14","ethyl 1~{H}-pyrazole-4-carboxylate","2018-12-19"],["YY7","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C25 H31 Cl2 N7 O4","COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c3c(C2)cnc(NC)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O;CNc1ncc2CN(C(=O)N([CH]3CCN(C3)C(=O)C=CCN(C)C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl;CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)C4CCN(C4)C(=O)C=CCN(C)C","InChI=1S/C25H31Cl2N7O4/c1-28-24-29-12-15-13-33(22-20(26)17(37-4)11-18(38-5)21(22)27)25(36)34(23(15)30-24)16-8-10-32(14-16)19(35)7-6-9-31(2)3/h6-7,11-12,16H,8-10,13-14H2,1-5H3,(H,28,29,30)/b7-6+/t16-/m0/s1","","2017-02-03","2019-01-11","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","2019-01-16"],["GOK","2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide","C21 H26 N6 O2","Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14;Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO","InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)","","2018-10-01","2018-10-26","2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide","2018-10-31"],["YY9","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C31 H35 Cl2 N7 O4","COc1c(c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(CC5)C(=O)C=[C@H]CN(C)C)=O)Cl;COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4ccccc4)nc3N(C5CCN(CC5)C(=O)C=CCN(C)C)C2=O)c1Cl;CN(C)CC=CC(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl","InChI=1S/C31H35Cl2N7O4/c1-37(2)14-8-11-25(41)38-15-12-22(13-16-38)40-29-20(18-34-30(36-29)35-21-9-6-5-7-10-21)19-39(31(40)42)28-26(32)23(43-3)17-24(44-4)27(28)33/h5-11,17-18,22H,12-16,19H2,1-4H3,(H,34,35,36)","","2017-02-09","2017-05-26","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","2017-05-31"],["GOL","GLYCEROL","C3 H8 O3","OCC(O)CO;OCC(O)CO;C(C(CO)O)O","InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","GLYCERIN; PROPANE-1,2,3-TRIOL","1999-07-08","2024-09-27","propane-1,2,3-triol",""],["YYA","2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid","C11 H19 N O3","O=C(O)C(NC)C(O)C(CC=C/C=C)C;CN[CH]([CH](O)[CH](C)CC=CC=C)C(O)=O;CC(CC=CC=C)C(C(C(=O)O)NC)O","InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1","","2010-11-19","2024-09-27","2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid",""],["GOM","GLUTAMOL-AMP","C15 H22 N6 O9 P","[O-]C(=O)CCC([NH3+])COP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([O-])(=O)OC[CH]([NH3+])CCC([O-])=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O)O)N","InChI=1S/C15H23N6O9P/c16-7(1-2-9(22)23)3-28-31(26,27)29-4-8-11(24)12(25)15(30-8)21-6-20-10-13(17)18-5-19-14(10)21/h5-8,11-12,15,24-25H,1-4,16H2,(H,22,23)(H,26,27)(H2,17,18,19)/p-1/t7-,8+,11+,12+,15+/m0/s1","","2002-11-26","2011-06-04","5'-O-({[(2S)-2-ammonio-4-carboxylatobutyl]oxy}phosphinato)adenosine",""],["GON","1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide","C23 H26 N4 O3","NC(=O)C1CCN(CCOc2ccc(c(O)c2)c3[nH]ncc3c4ccccc4)CC1;c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N","InChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,28H,8-13H2,(H2,24,29)(H,25,26)","","2018-10-01","2019-02-22","1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide","2019-02-27"],["YYB","1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol","C7 H14 O11 S2","O=S(=O)(O)OCC1OCC(OS(=O)(=O)O)C(OC)C1O;CO[CH]1[CH](O)[CH](CO[S](O)(=O)=O)OC[CH]1O[S](O)(=O)=O;COC1C(COC(C1O)COS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C7H14O11S2/c1-15-7-5(18-20(12,13)14)2-16-4(6(7)8)3-17-19(9,10)11/h4-8H,2-3H2,1H3,(H,9,10,11)(H,12,13,14)/t4-,5+,6-,7-/m1/s1","","2012-12-18","2020-07-17","1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol","2020-07-29"],["YYC","4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid","C22 H21 N O6 S2","Cc1c(cc(C)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)O)S(=O)(=O)c1ccc(C)cc1;Cc1ccc(cc1)[S](=O)(=O)c2cc(C)cc(c2C)[S](=O)(=O)Nc3ccc(cc3)C(O)=O;Cc1ccc(cc1)S(=O)(=O)c2cc(cc(c2C)S(=O)(=O)Nc3ccc(cc3)C(=O)O)C","InChI=1S/C22H21NO6S2/c1-14-4-10-19(11-5-14)30(26,27)20-12-15(2)13-21(16(20)3)31(28,29)23-18-8-6-17(7-9-18)22(24)25/h4-13,23H,1-3H3,(H,24,25)","","2023-03-03","2023-08-04","4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid","2023-08-09"],["GOO","(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol","C6 H13 N O4","OC1C(N)C(OC)C(O)C1O;CO[CH]1[CH](N)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C1O)O)O)N","InChI=1S/C6H13NO4/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1","","2008-07-25","2011-06-04","(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol",""],["YYD","6-amino-6-deoxy-alpha-D-glucopyranose","C6 H13 N O5","OC1C(O)C(OC(O)C1O)CN;NC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)N","InChI=1S/C6H13NO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1","","2012-12-17","2023-09-22","6-amino-6-deoxy-alpha-D-glucopyranose","2023-09-27"],["GOP","Glucopine","C11 H22 N2 O8","NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O;C(CC(=O)N)C(C(=O)O)NCC(C(C(C(CO)O)O)O)O","InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6-,7+,9+,10+/m0/s1","","2016-06-12","2016-09-16","(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanoic acid","2016-09-21"],["GOQ","8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid","C17 H11 N O7","COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O;COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]","InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)","","2018-10-02","2019-10-18","8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid","2019-10-23"],["YYG","4-(3-[5-O-PHOSPHONORIBOFURANOSYL]-4,6-DIMETHYL-8-OXO-4,8-DIHYDRO-3H-1,3,4,5,7A-PENTAAZA-S-INDACEN-YLAMINO-BUTYRIC ACID\nMETHYL ESTER","C21 H29 N6 O12 P","O=C(OC)C(NC(=O)OC)CCc3c(nc4N(c1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)n34)C)C;COC(=O)N[CH](CCc1n2C(=O)c3ncn([CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O)c3N(C)c2nc1C)C(=O)OC;Cc1c(n2c(n1)N(c3c(ncn3C4C(C(C(O4)COP(=O)(O)O)O)O)C2=O)C)CCC(C(=O)OC)NC(=O)OC","InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12+,14+,15+,18+/m0/s1","MODIFIED GUANOSINE-5'-PHOSPHATE","1999-10-04","2020-06-17","7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one",""],["GOR","6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid","C16 H9 N O6","OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O-])=O;c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]","InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)","","2021-06-14","2022-06-17","6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid","2022-06-22"],["YYH","7-deoxy-L-glycero-alpha-D-manno-heptopyranose","C7 H14 O6","OC1C(O)C(OC(O)C1O)C(O)C;C[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C7H14O6/c1-2(8)6-4(10)3(9)5(11)7(12)13-6/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1","","2012-12-17","2020-07-17","7-deoxy-L-glycero-alpha-D-manno-heptopyranose","2020-07-29"],["YYI","5-(difluoromethoxy)pyridin-2(3H)-one","C6 H5 F2 N O2","O=C1CC=C(OC(F)F)C=N1;FC(F)OC1=CCC(=O)N=C1;C1C=C(C=NC1=O)OC(F)F","InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1,3,6H,2H2","","2023-06-22","2023-07-07","5-(difluoromethoxy)pyridin-2(3H)-one","2023-07-12"],["GOS","D-Glucitol-1,6-bisphosphate","C6 H16 O12 P2","C(C(O)C(O)C(C(COP(=O)(O)O)O)O)OP(O)(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6-/m1/s1","1,6-di-O-phosphono-D-glucitol","2017-04-20","2021-03-13","1,6-di-O-phosphono-D-glucitol","2018-04-11"],["YYJ","1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose","C6 H12 O18 S4","O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O;O[C]1(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1","","2012-12-17","2020-07-17","1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose","2020-07-29"],["GOT","Phospholipid PG(16:0/cy17:0)","C39 H75 O10 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC","InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36+,37+/m0/s1","","2018-10-02","2019-10-18","[(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-[8-[(1~{R},2~{S})-2-hexylcyclopropyl]octanoyloxy]propyl] hexadecanoate","2019-10-23"],["YYK","beta-D-quinovopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6-/m1/s1","beta-D-quinovoose; 6-deoxy-beta-D-glucopyranose; beta-D-quinovose; D-quinovose; quinovose","2012-12-18","2020-07-17","6-deoxy-beta-D-glucopyranose","2020-07-29"],["GOU","6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine","C12 H13 Cl N6 O","CC(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1;CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N","InChI=1S/C12H13ClN6O/c1-6(2)8-3-7(20-18-8)4-19-5-15-9-10(13)16-12(14)17-11(9)19/h3,5-6H,4H2,1-2H3,(H2,14,16,17)","","2020-09-16","2021-07-23","6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine","2021-07-28"],["YYM","alpha-D-ribopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1","alpha-D-ribose; D-ribose; ribose","2012-12-17","2020-07-17","alpha-D-ribopyranose","2020-07-29"],["GOV","(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol","C11 H15 N O3","CC(O)CNCc1ccc2OCOc2c1;C[CH](O)CNCc1ccc2OCOc2c1;CC(CNCc1ccc2c(c1)OCO2)O","InChI=1S/C11H15NO3/c1-8(13)5-12-6-9-2-3-10-11(4-9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3/t8-/m0/s1","","2018-05-31","2022-04-04","(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol","2018-12-19"],["YYQ","2-acetamido-2-deoxy-alpha-L-galactopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1","N-acetyl-alpha-L-galactosamine; 2-acetamido-2-deoxy-alpha-L-galactose; 2-acetamido-2-deoxy-L-galactose; 2-acetamido-2-deoxy-galactose; 2-(acetylamino)-2-deoxy-alpha-L-galactopyranose","2012-12-17","2023-09-20","2-(acetylamino)-2-deoxy-alpha-L-galactopyranose","2020-07-29"],["GOW","3-benzamido-4-methyl-~{N}-oxidanyl-benzamide","C15 H14 N2 O3","Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO;Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO","InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19)","","2018-10-02","2018-10-26","3-benzamido-4-methyl-~{N}-oxidanyl-benzamide","2018-10-31"],["YYR","2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol","C8 H15 N O5","O=C(NC1C(O)C(O)C(OC1)CO)C;CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O;CC(=O)NC1COC(C(C1O)O)CO","InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1","","2012-12-18","2019-11-20","2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol","2019-11-20"],["GOX","(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL","C6 H12 N2 O5","OC1C(O)C(O)C(=NO)NC1CO;OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(=NO)N1)O)O)O)O","InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1","D-GLUCONHYDROXIMO-1,5-LACTAM","2000-08-23","2020-06-17","(2Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime",""],["GOY","di(piperidin-1-yl)methanone","C11 H20 N2 O","O=C(N1CCCCC1)N2CCCCC2;C1CCN(CC1)C(=O)N2CCCCC2","InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2","","2018-05-31","2018-12-14","di(piperidin-1-yl)methanone","2018-12-19"],["YYY","DEOXYCYTIDINE DIPHOSPHATE","C9 H15 N3 O10 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2006-08-31","2011-06-04","2'-deoxycytidine 5'-(trihydrogen diphosphate)",""],["GOZ","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide","C20 H26 N6 O2","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(N)nc(N)c3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cc(nc(c3)N)N)N","InChI=1S/C20H26N6O2/c21-15(9-13-5-2-1-3-6-13)20(28)26-8-4-7-16(26)19(27)24-12-14-10-17(22)25-18(23)11-14/h1-3,5-6,10-11,15-16H,4,7-9,12,21H2,(H,24,27)(H4,22,23,25)/t15-,16+/m1/s1","","2018-10-02","2019-10-18","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide","2019-10-23"],["YYZ","(2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid","C9 H6 Cl2 O3","C([C@H]=Cc1cc(Cl)c(O)c(c1)Cl)(O)=O;OC(=O)C=Cc1cc(Cl)c(O)c(Cl)c1;c1c(cc(c(c1Cl)O)Cl)C=CC(=O)O","InChI=1S/C9H6Cl2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)/b2-1+","","2018-09-18","2024-09-27","(2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid","2019-05-29"],["YZ0","methyl beta-D-mannopyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1","","2012-12-18","2020-07-17","methyl beta-D-mannopyranoside","2020-07-29"],["GP0","5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione","C11 H15 F N2 O8","FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)(C2O)CO)CO;OC[CH]1O[CH]([CH](O)[C](O)(CO)[CH]1O)N2C=C(F)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)(CO)O)O)F","InChI=1S/C11H15FN2O8/c12-4-1-14(10(20)13-8(4)19)9-7(18)11(21,3-16)6(17)5(2-15)22-9/h1,5-7,9,15-18,21H,2-3H2,(H,13,19,20)/t5-,6-,7+,9-,11+/m1/s1","5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucosyl]pyrimidine-2,4(1H,3H)-dione;\n5-fluoro-1-[3-C-(hydroxymethyl)-D-glucosyl]pyrimidine-2,4(1H,3H)-dione;\n5-fluoro-1-[3-C-(hydroxymethyl)-glucosyl]pyrimidine-2,4(1H,3H)-dione","2011-08-10","2020-07-17","5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione",""],["YZ6","(E,2R,3R,4S,5R)-N-[(3R)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide","C25 H35 N O6","O=C(NCCC(c1occc1)c2ccccc2)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C;CO[CH]([CH](O)[CH](O)[CH](O)C=CC(C)(C)C)C(=O)NCC[CH](c1occc1)c2ccccc2;CC(C)(C)C=CC(C(C(C(C(=O)NCCC(c1ccccc1)c2ccco2)OC)O)O)O","InChI=1S/C25H35NO6/c1-25(2,3)14-12-19(27)21(28)22(29)23(31-4)24(30)26-15-13-18(20-11-8-16-32-20)17-9-6-5-7-10-17/h5-12,14,16,18-19,21-23,27-29H,13,15H2,1-4H3,(H,26,30)/b14-12+/t18-,19-,21+,22-,23-/m1/s1","","2012-06-17","2012-09-14","(2R,3R,4S,5R,6E)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)","2012-09-14"],["GP1","2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose","C6 H14 N O8 P","O=P(OC1OC(C(O)C(O)C1N)CO)(O)O;N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O;C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O","InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1","GLUCOSAMINE 1-PHOSPHATE; 1-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;\n2-amino-2-deoxy-1-O-phosphono-D-glucose; 2-amino-2-deoxy-1-O-phosphono-glucose","1999-09-30","2020-07-17","2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose",""],["YZ9","7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER","C12 H10 O5","O=C(OCC)C1=Cc2c(OC1=O)cc(O)cc2;CCOC(=O)C1=Cc2ccc(O)cc2OC1=O;CCOC(=O)C1=Cc2ccc(cc2OC1=O)O","InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3","","2000-08-30","2011-06-04","ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate",""],["GP2","PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER","C11 H17 N5 O10 P2","O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H17N5O10P2/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","2004-01-14","2011-06-04","5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]guanosine",""],["YZE","N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine","C19 H24 I N3 O6","O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)C/C=C;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](CC=C)C(O)=O;C=CCC(C(=O)O)NC(=O)NC(CCCCNC(=O)c1ccc(cc1)I)C(=O)O","InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1","","2009-09-22","2011-06-04","N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine",""],["GP3","DIGUANOSINE-5'-TRIPHOSPHATE","C20 H27 N10 O18 P3","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N","InChI=1S/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1","","1999-07-08","2011-06-04","[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["YZI","(3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide","C19 H27 Cl F N5 O2","O=C(N1CCN(C)CC1)N1CC(CC(CN)C1)C(=O)Nc1ccc(Cl)c(F)c1;CN1CCN(CC1)C(=O)N2C[CH](CN)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;CN1CCN(CC1)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c(c3)F)Cl)CN","InChI=1S/C19H27ClFN5O2/c1-24-4-6-25(7-5-24)19(28)26-11-13(10-22)8-14(12-26)18(27)23-15-2-3-16(20)17(21)9-15/h2-3,9,13-14H,4-8,10-12,22H2,1H3,(H,23,27)/t13-,14-/m0/s1","","2023-03-06","2023-06-02","(3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide","2023-06-07"],["GP4","2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose","C6 H14 N O8 P","O=P(O)(O)OC1C(OC(O)C(N)C1O)CO;N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O","InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1","GLUCOSAMINE 4-PHOSPHATE; N-acetyl-4-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucose;\n2-amino-2-deoxy-4-O-phosphono-D-glucose; 2-amino-2-deoxy-4-O-phosphono-glucose","1999-09-30","2020-07-17","2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose",""],["GP5","DIGUANOSINE-PENTAPHOSPHATE","C20 H29 N10 O24 P5","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N","InChI=1S/C20H29N10O24P5/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(49-17)1-47-55(37,38)51-57(41,42)53-59(45,46)54-58(43,44)52-56(39,40)48-2-6-10(32)12(34)18(50-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6+,9-,10+,11-,12+,17-,18+","","2005-11-09","2011-06-04","[[[[[(2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["YZK","(3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine","C9 H9 N3","Cc1nccn1c1cnccc1;Cc1nccn1c2cccnc2;Cc1nccn1c2cccnc2","InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3","","2023-06-22","2023-07-07","(3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine","2023-07-12"],["YZM","N-carbamoylbenzamide","C8 H8 N2 O2","O=C(NC(=O)N)c1ccccc1;NC(=O)NC(=O)c1ccccc1;c1ccc(cc1)C(=O)NC(=O)N","InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)","","2012-12-18","2020-02-28","N-carbamoylbenzamide","2020-03-04"],["GP6","1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA","C14 H13 Cl N4 O","Clc2ccc(NC(=O)Nc1ccc(C(=[N@H])N)cc1)cc2;NC(=N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1;[H]N=C(c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)N","InChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20)","","1999-07-08","2011-06-04","4-{[(4-chlorophenyl)carbamoyl]amino}benzenecarboximidamide",""],["YZS","(2S)-sulfonatepropionyl-amino(dethia)-CoA","C24 H41 N8 O20 P3 S","O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCNC(=O)C(S(O)(=O)=O)C)=O)(=O)O)(O)O;C[CH](C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[S](O)(=O)=O;CC(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O","InChI=1S/C24H41N8O20P3S/c1-12(56(45,46)47)21(36)28-7-6-26-14(33)4-5-27-22(37)18(35)24(2,3)9-49-55(43,44)52-54(41,42)48-8-13-17(51-53(38,39)40)16(34)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-13,16-18,23,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,37)(H,28,36)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)(H,45,46,47)/t12-,13+,16+,17+,18-,23+/m0/s1","(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]me\nthoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-\n1-oxidanylidene-propane-2-sulfonic acid","2019-02-25","2020-06-17","(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)","2019-04-10"],["GP7","(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate","C36 H68 N O8 P","O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCC=CCCC;CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCC","InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7+,15-13+/t34-/m1/s1","1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine","2009-10-16","2020-06-17","(18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (9E,12E)-hexadeca-9,12-dienoate",""],["YZT","6-deoxy-6-sulfo-beta-D-glucopyranose","C6 H12 O8 S","O=S(=O)(O)CC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O","InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6-/m1/s1","","2012-12-18","2022-04-08","6-deoxy-6-sulfo-beta-D-glucopyranose","2022-04-13"],["GP8","1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA","C20 H18 N4 O2","O=C(Nc1ccc(C(=[N@H])N)cc1)Nc3ccc(Oc2ccccc2)cc3;NC(=N)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1;c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N","InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25)","","1999-07-08","2011-06-04","4-{[(4-phenoxyphenyl)carbamoyl]amino}benzenecarboximidamide",""],["YZV","(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol","C21 H29 F2 N5 O2","FC(F)(c1ccccc1)C(O)/C=C/C1CCC(O)N1CCCCCCc1nnn[NH]1;O[CH]1CC[CH](C=C[CH](O)C(F)(F)c2ccccc2)N1CCCCCCc3[nH]nnn3;c1ccc(cc1)C(C(C=CC2CCC(N2CCCCCCc3[nH]nnn3)O)O)(F)F","InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,20,29-30H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18-,20-/m0/s1","","2023-03-06","2024-01-05","(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol","2024-01-10"],["GP9","(2R)-2,3-dihydroxypropyl phosphate","C3 H7 O6 P","[O-]P([O-])(=O)OCC(O)CO;OC[CH](O)CO[P]([O-])([O-])=O;C(C(COP(=O)([O-])[O-])O)O","InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1","","2008-12-11","2011-06-04","(2R)-2,3-dihydroxypropyl phosphate",""],["GPA","2-AMINO-3-GUANIDINO-PROPIONIC ACID","C4 H10 N4 O2","O=C(O)C(N)CNC(=[N@H])N;N[CH](CNC(N)=N)C(O)=O;[H]N=C(N)NCC(C(=O)O)N","InChI=1S/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/t2-/m0/s1","","2000-11-22","2012-06-15","3-carbamimidamido-L-alanine",""],["YZY","(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate","C37 H70 O5","O=C(OC(CO)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1","","2012-12-17","2015-01-30","(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate","2015-02-04"],["Z00","4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE","C19 H19 Cl F3 N5 O2 S2","CC(C)c1sc(N[S](=O)(=O)c2ccc(CCNc3ncc(cc3Cl)C(F)(F)F)cc2)nn1;CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl","InChI=1S/C19H19ClF3N5O2S2/c1-11(2)17-26-27-18(31-17)28-32(29,30)14-5-3-12(4-6-14)7-8-24-16-15(20)9-13(10-25-16)19(21,22)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)(H,27,28)","","2010-11-19","2011-06-04","4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",""],["GPB","N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID","C21 H23 N5 O5","O=C(O)C(NC(=O)c1ccc(cc1)CCc3c2c(nc(nc2nc3)N)C)CCC(=O)O;Cc1nc(N)nc2[nH]cc(CCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)c12;Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H23N5O5/c1-11-17-14(10-23-18(17)26-21(22)24-11)7-4-12-2-5-13(6-3-12)19(29)25-15(20(30)31)8-9-16(27)28/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,29)(H,27,28)(H,30,31)(H3,22,23,24,26)/t15-/m0/s1","","2000-05-18","2011-06-04","N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid",""],["GPC","2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYTIDINE","C19 H24 F N8 O11 P","O=C5NC(=Nc1c5ncn1C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C4F)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=NC5=O)N)[CH]3F;c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N","InChI=1S/C19H24FN8O11P/c20-9-13(6(3-29)37-16(9)28-5-23-10-14(28)25-18(22)26-15(10)32)39-40(34,35)36-4-7-11(30)12(31)17(38-7)27-2-1-8(21)24-19(27)33/h1-2,5-7,9,11-13,16-17,29-31H,3-4H2,(H,34,35)(H2,21,24,33)(H3,22,25,26,32)/t6-,7-,9-,11-,12-,13-,16-,17-/m1/s1","","1999-07-08","2011-06-04","(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)",""],["Z01","3-[(2,2-dimethylpropanoyl)amino]-L-alanine","C8 H16 N2 O3","O=C(NCC(N)C(=O)O)C(C)(C)C;CC(C)(C)C(=O)NC[CH](N)C(O)=O;CC(C)(C)C(=O)NCC(C(=O)O)N","InChI=1S/C8H16N2O3/c1-8(2,3)7(13)10-4-5(9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1","","2010-11-17","2012-01-13","3-[(2,2-dimethylpropanoyl)amino]-L-alanine",""],["Z02","5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide","C13 H12 N4 O3","[O-][N+](=O)c2ccc(NCc1ncccc1)c(C(=O)N)c2;NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O;c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]","InChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18)","","2011-03-24","2012-08-03","5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide",""],["GPD","(2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl","C16 H26 N6 O13 P2","O=P(OC1OC(C(N)CC1O)C)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)C[CH]1N;CC1C(CC(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N","InChI=1S/C16H26N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h4-8,10-11,14-15,23-25H,2-3,17H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/t5-,6+,7+,8-,10-,11-,14-,15-/m1/s1","","2008-08-12","2011-06-04","(2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["Z04","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide","C16 H19 N7 O4","[O-][N+](=O)c2cc(C(=O)N)c(NCc1cnc(nc1)N)cc2N3CCOCC3;NC(=O)c1cc(c(cc1NCc2cnc(N)nc2)N3CCOCC3)[N+]([O-])=O;c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N","InChI=1S/C16H19N7O4/c17-15(24)11-5-14(23(25)26)13(22-1-3-27-4-2-22)6-12(11)19-7-10-8-20-16(18)21-9-10/h5-6,8-9,19H,1-4,7H2,(H2,17,24)(H2,18,20,21)","","2011-03-24","2012-08-03","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide",""],["GPE","L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE","C5 H14 N O6 P","O=P(OCC(O)CO)(OCCN)O;NCCO[P](O)(=O)OC[CH](O)CO;C(COP(=O)(O)OCC(CO)O)N","InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1","","1999-07-08","2024-09-27","2-aminoethyl (2R)-2,3-dihydroxypropyl hydrogen (S)-phosphate",""],["GPF","N-(phosphonomethyl)glycine","C3 H8 N O5 P","O=C(O)CNCP(=O)(O)O;OC(=O)CNC[P](O)(O)=O;C(C(=O)O)NCP(=O)(O)O","InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)","","2008-12-17","2011-06-04","N-(phosphonomethyl)glycine",""],["Z06","(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron","C9 H11 B N O6","CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O;[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O","InChI=1S/C9H11BNO6/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15,16)17/h2-4,15-17H,1H3,(H,11,12)(H,13,14)/q-1","","2010-12-15","2024-09-27","(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron",""],["Z07","4-(trifluoromethyl)-1,3-benzothiazol-2-amine","C8 H5 F3 N2 S","FC(F)(F)c1cccc2sc(N)nc12;Nc1sc2cccc(c2n1)C(F)(F)F;c1cc(c2c(c1)sc(n2)N)C(F)(F)F","InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13)","","2021-04-07","2022-03-11","4-(trifluoromethyl)-1,3-benzothiazol-2-amine","2022-03-16"],["GPG","GUANYLYL-2',5'-PHOSPHOGUANOSINE","C20 H25 N10 O12 P","O=C6NC(=Nc1c6ncn1C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N","InChI=1S/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(34)9(32)6(41-17)2-39-43(37,38)42-12-10(33)5(1-31)40-18(12)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (R)-phosphate (non-preferred name)",""],["Z0A","(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one","C10 H18 N2 O2","O=C1NCCC1CC(N)CCC(=O)C;CC(=O)CC[CH](N)C[CH]1CCNC1=O;CC(=O)CCC(CC1CCNC1=O)N","InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1","","2010-11-17","2012-01-13","(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one",""],["GPH","4-O-phosphono-D-glycero-beta-D-manno-heptopyranose","C7 H15 O10 P","O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O;C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O","InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1","4-O-phosphono-D-glycero-beta-D-manno-heptose; 4-O-phosphono-D-glycero-D-manno-heptose;\n4-O-phosphono-D-glycero-manno-heptose","2000-05-24","2020-07-17","4-O-phosphono-D-glycero-beta-D-manno-heptopyranose",""],["GPI","(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE","C20 H28 N2 O4","O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2;CCC(C)(C)C(=O)C(=O)N1CCC[CH]1C(=O)OCCCc2cccnc2;CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc2cccnc2","InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1","GPI-1046","2000-06-16","2021-03-01","3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate",""],["Z0B","thieno[2,3-c][2,6]naphthyridine","C10 H6 N2 S","n2cc1ccncc1c3c2scc3;s1ccc2c1ncc3ccncc23;c1cncc2c1cnc3c2ccs3","InChI=1S/C10H6N2S/c1-3-11-6-9-7(1)5-12-10-8(9)2-4-13-10/h1-6H","","2013-04-09","2014-09-05","thieno[2,3-c][2,6]naphthyridine","2013-05-22"],["Z0F","alpha-L-idopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m0/s1","alpha-L-idose; L-idose; idose","2012-12-18","2020-07-17","alpha-L-idopyranose","2020-07-29"],["GPJ","GLYPHOSATE","C3 H9 N O5 P","O=C(O)C[NH2+]CP(=O)(O)O;OC(=O)C[NH2+]C[P](O)(O)=O;C(C(=O)O)[NH2+]CP(=O)(O)O","InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1","","2000-11-16","2011-06-04","carboxy-N-(phosphonomethyl)methanaminium",""],["GPK","5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H13 F N2 O7","FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F","InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1","5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;\n5-fluoro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione","2011-08-10","2020-07-17","5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione",""],["Z0I","N-(1H-indol-7-yl)acetamide","C10 H10 N2 O","CC(=O)Nc1cccc2cc[NH]c12;CC(=O)Nc1cccc2cc[nH]c12;CC(=O)Nc1cccc2c1[nH]cc2","InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)","","2023-06-22","2023-07-07","N-(1H-indol-7-yl)acetamide","2023-07-12"],["Z0M","N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE","C19 H25 N3 O4 S","O=C(NC2c1nc(cn1C(C(O)C2O)CO)CCc3ccccc3)CCS;OC[CH]1[CH](O)[CH](O)[CH](NC(=O)CCS)c2nc(CCc3ccccc3)cn12;c1ccc(cc1)CCc2cn3c(n2)C(C(C(C3CO)O)O)NC(=O)CCS","InChI=1S/C19H25N3O4S/c23-11-14-17(25)18(26)16(21-15(24)8-9-27)19-20-13(10-22(14)19)7-6-12-4-2-1-3-5-12/h1-5,10,14,16-18,23,25-27H,6-9,11H2,(H,21,24)/t14-,16-,17-,18-/m1/s1","GLCNACSTATIN F","2010-08-26","2021-03-01","N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide",""],["GPL","LYSINE GUANOSINE-5'-MONOPHOSPHATE","C16 H26 N7 O9 P","O=C(O)C(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;N[CH](CCCCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N)C(O)=O;c1nc2c(n1C3C(C(C(O3)COP(=O)(NCCCCC(C(=O)O)N)O)O)O)N=C(NC2=O)N","InChI=1S/C16H26N7O9P/c17-7(15(27)28)3-1-2-4-20-33(29,30)31-5-8-10(24)11(25)14(32-8)23-6-19-9-12(23)21-16(18)22-13(9)26/h6-8,10-11,14,24-25H,1-5,17H2,(H,27,28)(H2,20,29,30)(H3,18,21,22,26)/t7-,8+,10+,11+,14+/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-6-{[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}hexanoic acid (non-preferred name)",""],["GPM","(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol","C7 H15 O8 P","O=P(O)(O)CC1OC(C(O)C(O)C1O)CO;OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O","InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1","GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID; Alpha-1 phosphonomethylene-D-glucopyranose","1999-07-08","2020-07-17","(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol",""],["Z0O","1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA","C13 H16 N4 O","O=C(NC(C)(C)C)Nc1cc2nccnc2cc1;CC(C)(C)NC(=O)Nc1ccc2nccnc2c1;CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2","InChI=1S/C13H16N4O/c1-13(2,3)17-12(18)16-9-4-5-10-11(8-9)15-7-6-14-10/h4-8H,1-3H3,(H2,16,17,18)","","2012-10-05","2014-09-05","1-tert-butyl-3-quinoxalin-6-ylurea","2013-06-26"],["Z0P","(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate","C37 H70 O5","O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=C/CCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCCCCCC","InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38H,3-12,14,16-34H2,1-2H3/b15-13-/t35-/m0/s1","","2012-12-18","2015-01-30","(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate","2015-02-04"],["GPN","2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE","C11 H16 N7 O4","O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC[NH3+];NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N","InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1","","1999-07-08","2024-09-27","2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium",""],["Z0W","5H-pyrimido[5,4-b]indole","C10 H7 N3","n1cc3c(nc1)c2c(cccc2)n3;[nH]1c2ccccc2c3ncncc13;c1ccc2c(c1)c3c([nH]2)cncn3","InChI=1S/C10H7N3/c1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10/h1-6,13H","","2013-04-09","2014-09-05","5H-pyrimido[5,4-b]indole","2013-05-22"],["GPO","4-O-phosphono-D-glycero-beta-D-manno-heptopyranose","C7 H15 O10 P","O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O;C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O","InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1","4-O-phosphono-D-glycero-beta-D-manno-heptose; 4-O-phosphono-D-glycero-D-manno-heptose;\n4-O-phosphono-D-glycero-manno-heptose","2008-03-28","2020-08-11","4-O-phosphono-D-glycero-beta-D-manno-heptopyranose",""],["GPP","GERANYL DIPHOSPHATE","C10 H20 O7 P2","O=P(OP(=O)(OC/C=C(/CCC=C(/C)C)C)O)(O)O;CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C","InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+","","1999-07-08","2011-06-04","(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate",""],["Z10","[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron","C15 H16 B F N O4","C[CH](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O;[B-](C(C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O","InChI=1S/C15H16BFNO4/c1-10(16(20,21)22)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-22H,1H3,(H,18,19)/q-1/t10-/m1/s1","","2010-12-15","2024-09-27","[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron",""],["Z12","2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide","C21 H12 Cl4 N2 O3 S","Clc1ccc(c(Cl)c1)S(=O)(=O)Nc4cc(Cl)c(Oc2cc3ccccc3nc2)c(Cl)c4;Clc1ccc(c(Cl)c1)[S](=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2;c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl","InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H","","2009-01-20","2011-06-04","2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide",""],["GPQ","5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H13 Cl N2 O7","ClC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(Cl)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)Cl","InChI=1S/C10H13ClN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1","5-chloro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-chloro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;\n5-chloro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione","2011-08-10","2020-07-17","5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione",""],["Z13","(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine","C16 H11 F6 N","FC(F)(F)c2ccc(/C=N/Cc1ccc(cc1)C(F)(F)F)cc2;FC(F)(F)c1ccc(CN=Cc2ccc(cc2)C(F)(F)F)cc1;c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F","InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2","","2014-01-09","2014-05-09","(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine","2014-05-14"],["GPR","(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE","C24 H27 N3 O7 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O;N[CH](CCC(=O)N[CH](CS[CH]1[CH](O)c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O;c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine",""],["Z14","4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide","C17 H22 N8 O3","[O-][N+](=O)c2cc(C(=O)N)c(NCc1cnc(nc1)N)cc2N3CCC(N)CC3;NC1CCN(CC1)c2cc(NCc3cnc(N)nc3)c(cc2[N+]([O-])=O)C(N)=O;c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N","InChI=1S/C17H22N8O3/c18-11-1-3-24(4-2-11)14-6-13(12(16(19)26)5-15(14)25(27)28)21-7-10-8-22-17(20)23-9-10/h5-6,8-9,11,21H,1-4,7,18H2,(H2,19,26)(H2,20,22,23)","","2011-03-24","2012-08-03","4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide",""],["GPS","L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine","C24 H27 N3 O7 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O;N[CH](CCC(=O)N[CH](CS[CH]1[CH](O)c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O;c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21-,22-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine",""],["Z15","(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol","C12 H15 Cl O7","Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)c(Cl)cc2O;c1c(c(cc(c1O)Cl)O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1","","2010-07-01","2020-07-17","(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol",""],["GPT","(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde","C15 H22 F N O4","O=CC1(NC(=O)C(C1(O)C)CCF)C(O)C2C=CCCC2;C[C]1(O)[CH](CCF)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2;CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCF)O","InChI=1S/C15H22FNO4/c1-14(21)11(7-8-16)13(20)17-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,19,21H,2,4,6-8H2,1H3,(H,17,20)/t10-,11+,12+,14+,15-/m1/s1","","2009-03-30","2024-09-27","(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde",""],["Z16","(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol","C12 H15 Cl O7","Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)cc(Cl)c2O;c1c(cc(c(c1C2C(C(C(C(O2)CO)O)O)O)O)Cl)O","InChI=1S/C12H15ClO7/c13-6-2-4(15)1-5(8(6)16)12-11(19)10(18)9(17)7(3-14)20-12/h1-2,7,9-12,14-19H,3H2/t7-,9-,10+,11-,12+/m1/s1","","2010-07-01","2020-07-17","(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol",""],["GPU","5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H13 Br N2 O7","BrC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(Br)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)Br","InChI=1S/C10H13BrN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1","5-bromo-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-bromo-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;\n5-bromo-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione","2011-08-10","2020-07-17","5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione",""],["Z17","(3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid","C11 H13 N5 O4","O=C(O)CC(C1=NN(C=2N=C(NC(=O)C=2C1=O)N)C)C;C[CH](CC(O)=O)C1=NN(C)C2=C(C(=O)NC(=N2)N)C1=O;CC(CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C","InChI=1S/C11H13N5O4/c1-4(3-5(17)18)7-8(19)6-9(16(2)15-7)13-11(12)14-10(6)20/h4H,3H2,1-2H3,(H,17,18)(H3,12,13,14,20)/t4-/m1/s1","","2012-01-20","2012-03-23","(3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid",""],["GPV","1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione","C10 H13 I N2 O7","IC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(I)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)I","InChI=1S/C10H13IN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1","1-(beta-D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione; 1-(D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;\n1-(glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione","2011-08-10","2020-07-17","1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione",""],["Z18","(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate","C21 H35 N O5","O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CN(C)C)C1C)C)C)CC;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)CN(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C;CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)CN(C)C)C)C)C","InChI=1S/C21H35NO5/c1-8-18-13(2)9-10-17(23)14(3)11-15(4)20(16(5)21(25)26-18)27-19(24)12-22(6)7/h9-10,13-16,18,20H,8,11-12H2,1-7H3/b10-9+/t13-,14-,15+,16-,18-,20+/m1/s1","","2013-01-22","2014-01-24","(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate","2014-01-29"],["GPW","1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione","C11 H13 F3 N2 O7","FC(F)(F)C1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(C(=O)NC2=O)C(F)(F)F;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)C(F)(F)F","InChI=1S/C11H13F3N2O7/c12-11(13,14)3-1-16(10(22)15-8(3)21)9-7(20)6(19)5(18)4(2-17)23-9/h1,4-7,9,17-20H,2H2,(H,15,21,22)/t4-,5-,6+,7-,9-/m1/s1","1-(beta-D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;\n1-(D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;\n1-(glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione","2011-08-10","2020-07-17","1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione",""],["Z19","1H-indazole-3-carbohydrazide","C8 H8 N4 O","O=C(c2nnc1ccccc12)NN;NNC(=O)c1n[nH]c2ccccc12;c1ccc2c(c1)c(n[nH]2)C(=O)NN","InChI=1S/C8H8N4O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H,9H2,(H,10,13)(H,11,12)","","2011-03-25","2012-08-03","1H-indazole-3-carbohydrazide",""],["GPX","GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE","C10 H14 N5 O13 P3","O=P3(OC4C(OC(n1c2N=C(N)NC(=O)c2nc1)C4O3)COP(=O)(O)OP(=O)(O)O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34;c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N","InChI=1S/C10H14N5O13P3/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(26-31(22,23)27-6)3(25-9)1-24-30(20,21)28-29(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","[(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl trihydrogen diphosphate",""],["GQ0","9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine","C13 H15 Cl N6 O","CC(C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1;CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N","InChI=1S/C13H15ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h4,6H,5H2,1-3H3,(H2,15,17,18)","","2020-09-16","2021-07-23","9-[(3-~{tert}-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine","2021-07-28"],["Z1B","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide","C39 H49 F2 N5 O9 S","C4(Oc3c1c(cc(cc1)OC)nc(c2ccccc2)c3)CN(C(C4)C(=O)NC(C(NS(C5CC5)(=O)=O)=O)CC(F)F)C(C(NC(=O)OC(C)(C)C)C(C)(C)C)=O;COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[CH](CC(F)F)C(=O)N[S](=O)(=O)C4CC4)cc(nc2c1)c5ccccc5;CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC(CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C","InChI=1S/C39H49F2N5O9S/c1-38(2,3)33(44-37(50)55-39(4,5)6)36(49)46-21-24(18-30(46)35(48)43-29(20-32(40)41)34(47)45-56(51,52)25-14-15-25)54-31-19-27(22-11-9-8-10-12-22)42-28-17-23(53-7)13-16-26(28)31/h8-13,16-17,19,24-25,29-30,32-33H,14-15,18,20-21H2,1-7H3,(H,43,48)(H,44,50)(H,45,47)/t24-,29+,30+,33-/m1/s1","","2017-11-29","2018-03-16","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide","2018-03-21"],["Z1E","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide","C34 H44 Cl F2 N5 O9 S","C1(C(C1)C(F)F)(NC(C2N(C(C(NC(OC(C)(C)C)=O)C(C)(C)C)=O)CC(C2)Oc4c3cc(ccc3c(cn4)OC)Cl)=O)C(NS(C5CC5)(=O)=O)=O;COc1cnc(O[CH]2C[CH](N(C2)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S](=O)(=O)C4CC4)c5cc(Cl)ccc15;CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C","InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1","","2017-11-29","2018-03-16","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide","2018-03-21"],["GQ1","4-O-sulfo-alpha-D-glucopyranose","C6 H12 O9 S","O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1","4-O-sulfo-alpha-D-glucose; 4-O-sulfo-D-glucose; 4-O-sulfo-glucose","2014-02-21","2020-07-17","4-O-sulfo-alpha-D-glucopyranose","2014-10-15"],["GQ3","9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine","C13 H17 Cl N6 O","CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)C1;CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N","InChI=1S/C13H17ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h6-7H,4-5H2,1-3H3,(H2,15,17,18)/t7-/m1/s1","","2020-09-16","2021-07-23","9-[(3-~{tert}-butyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine","2021-07-28"],["Z1I","(3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide","C21 H31 Cl F N5 O2","CC1CN(CC(C)N1C)C(=O)N1CC(CC(CN)C1)C(=O)Nc1ccc(Cl)c(F)c1;C[CH]1CN(C[CH](C)N1C)C(=O)N2C[CH](CN)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c(c3)F)Cl)CN","InChI=1S/C21H31ClFN5O2/c1-13-9-27(10-14(2)26(13)3)21(30)28-11-15(8-24)6-16(12-28)20(29)25-17-4-5-18(22)19(23)7-17/h4-5,7,13-16H,6,8-12,24H2,1-3H3,(H,25,29)/t13-,14+,15-,16-/m0/s1","","2023-03-06","2023-06-02","(3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide","2023-06-07"],["Z1L","1-anilinocyclopropane-1-carboxylic acid","C10 H11 N O2","O=C(O)C1(Nc2ccccc2)CC1;OC(=O)C1(CC1)Nc2ccccc2;c1ccc(cc1)NC2(CC2)C(=O)O","InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)","","2023-06-22","2023-07-07","1-anilinocyclopropane-1-carboxylic acid","2023-07-12"],["GQ5","1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide","C22 H24 N6 O","C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(C)ncc5c4)ccc3n2;CC1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C","InChI=1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/t14-/m0/s1","","2018-10-02","2018-10-12","1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide","2018-10-17"],["Z1T","N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide","C42 H83 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1","","2012-12-18","2023-03-31","N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide","2023-04-05"],["GQ6","6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine","C13 H12 Cl N5","Cc1ccc(Cn2cnc3c(Cl)nc(N)nc23)cc1;Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N","InChI=1S/C13H12ClN5/c1-8-2-4-9(5-3-8)6-19-7-16-10-11(14)17-13(15)18-12(10)19/h2-5,7H,6H2,1H3,(H2,15,17,18)","","2020-09-16","2021-07-23","6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine","2021-07-28"],["Z1Z","(3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide","C20 H27 Cl F N5 O4","O=C(N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)CN;NCC(=O)N1CCN(CC1)C(=O)N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;c1cc(c(cc1NC(=O)C2CC(CN(C2)C(=O)N3CCN(CC3)C(=O)CN)CO)F)Cl","InChI=1S/C20H27ClFN5O4/c21-16-2-1-15(8-17(16)22)24-19(30)14-7-13(12-28)10-27(11-14)20(31)26-5-3-25(4-6-26)18(29)9-23/h1-2,8,13-14,28H,3-7,9-12,23H2,(H,24,30)/t13-,14+/m1/s1","","2023-03-06","2023-06-02","(3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide","2023-06-07"],["GQ7","[5-(4-aminophenyl)furan-2-yl]methanol","C11 H11 N O2","Nc1ccc(cc1)c2oc(CO)cc2;c1cc(ccc1c2ccc(o2)CO)N","InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2","","2018-05-31","2018-12-14","[5-(4-aminophenyl)furan-2-yl]methanol","2018-12-19"],["GQ8","1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide","C24 H26 N6 O","C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2;CC1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6","InChI=1S/C24H26N6O/c1-15-3-2-10-29(15)14-23-27-20-8-5-18(12-21(20)28-23)26-24(31)16-4-9-22-17(11-16)13-25-30(22)19-6-7-19/h4-5,8-9,11-13,15,19H,2-3,6-7,10,14H2,1H3,(H,26,31)(H,27,28)/t15-/m0/s1","","2018-10-02","2018-10-12","1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide","2018-10-17"],["Z20","(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one","C16 H10 Cl N3 O4 S","[O-][N+](=O)c1c(O)ccc(c1)C=C3/S/C(=Nc2c(Cl)cccc2)NC3=O;Oc1ccc(C=C2SC(NC2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=O;c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])O)S2)Cl","InChI=1S/C16H10ClN3O4S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(25-16)8-9-5-6-13(21)12(7-9)20(23)24/h1-8,21H,(H,18,19,22)/b14-8-","","2012-04-27","2012-08-03","(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one",""],["GQ9","6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine","C15 H11 Cl N6 O","Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1;c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N","InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)","","2020-09-16","2021-07-23","6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine","2021-07-28"],["Z21","4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine","C10 H9 Br N6 O","Brc1ncc2nc(n(c2c1)CC)c3nonc3N;CCn1c2cc(Br)ncc2nc1c3nonc3N;CCn1c2cc(ncc2nc1c3c(non3)N)Br","InChI=1S/C10H9BrN6O/c1-2-17-6-3-7(11)13-4-5(6)14-10(17)8-9(12)16-18-15-8/h3-4H,2H2,1H3,(H2,12,16)","","2013-08-21","2014-09-05","4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine","2013-10-09"],["GQA","1-methyl-3-oxidanyl-pyridine-2-thione","C6 H7 N O S","CN1C=CC=C(O)C1=S;CN1C=CC=C(C1=S)O","InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3","","2018-05-31","2018-12-14","1-methyl-3-oxidanyl-pyridine-2-thione","2018-12-19"],["Z22","S-methyl methanesulfonothioate","C2 H6 O2 S2","CS[S](C)(=O)=O;CSS(=O)(=O)C","InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3","S-Methyl methanethiosulfonate","2009-11-18","2024-09-27","methylsulfanylsulfonylmethane",""],["Z23","DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE","C20 H19 F2 N5 O2","Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(C(=[NH2+])N)c2)c(F)c3C;Cc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc3cccc(c3)C(N)=[NH2+])c1F;Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F","InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2","ZK-805623","1999-08-30","2021-03-01","[(3,5-difluoro-4-methylpyridine-2,6-diyl)bis(oxybenzene-3,1-diyl)]bis(aminomethaniminium)",""],["GQB","~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide","C17 H16 N4 O S","NC1=[SH]c2cc(CNC(=O)c3[nH]c4ccccc4c3)ccc2N1;c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N","InChI=1S/C17H16N4OS/c18-17-21-13-6-5-10(7-15(13)23-17)9-19-16(22)14-8-11-3-1-2-4-12(11)20-14/h1-8,20-21,23H,9,18H2,(H,19,22)","","2018-10-03","2019-04-05","~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide","2019-04-10"],["Z24","(3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid","C11 H11 F2 N O3","O[CH]1C[CH](CN1c2ccc(F)cc2F)C(O)=O;c1cc(c(cc1F)F)N2CC(CC2O)C(=O)O","InChI=1S/C11H11F2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6,10,15H,3,5H2,(H,16,17)/t6-,10-/m1/s1","","2017-04-08","2018-02-16","(3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid","2018-02-21"],["GQC","1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium","C22 H29 Br N3","Cc1cccc(c1)[CH]2CC[CH](CC2)[NH+]3CCN(CC3)c4cncc(Br)c4;Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br","InChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/p+1/t18-,21-","","2020-09-17","2021-10-01","1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium","2021-10-06"],["Z25","3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid","C9 H9 N5 O4","O=C(O)CCC1=NNC=2N=C(NC(=O)C=2C1=O)N;NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CCC(O)=O;C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N","InChI=1S/C9H9N5O4/c10-9-11-7-5(8(18)12-9)6(17)3(13-14-7)1-2-4(15)16/h1-2H2,(H,15,16)(H4,10,11,12,14,17,18)","","2012-01-20","2012-03-23","3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid",""],["GQD","(E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid","C23 H27 N O3","CC(C)CN1[CH](C)Cc2cc(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3;CC1Cc2cc(ccc2C(N1CC(C)C)c3ccc(cc3)C=CC(=O)O)O","InChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1","","2015-12-14","2016-02-05","(E)-3-[4-[(1R,3R)-3-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid","2016-02-10"],["Z26","2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide","C18 H15 Cl N2 O2","Clc1cc(CC(=O)Nc2cncc3ccccc32)c(OC)cc1;COc1ccc(Cl)cc1CC(=O)Nc2cncc3ccccc23;COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl","InChI=1S/C18H15ClN2O2/c1-23-17-7-6-14(19)8-13(17)9-18(22)21-16-11-20-10-12-4-2-3-5-15(12)16/h2-8,10-11H,9H2,1H3,(H,21,22)","","2021-09-08","2021-09-10","2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide","2021-09-15"],["GQE","3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide","C15 H14 N2 O4","COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO;COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO","InChI=1S/C15H14N2O4/c1-21-13-8-7-11(15(19)17-20)9-12(13)16-14(18)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,16,18)(H,17,19)","","2018-10-03","2018-10-26","3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide","2018-10-31"],["Z27","2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide","C20 H10 Cl3 F3 N2 O2 S3","FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc4ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c4;FC(F)(F)c1ccc(c(Cl)c1)[S](=O)(=O)Nc2ccc(Sc3sc4ccc(Cl)cc4n3)c(Cl)c2;c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl","InChI=1S/C20H10Cl3F3N2O2S3/c21-11-2-4-17-15(8-11)27-19(32-17)31-16-5-3-12(9-13(16)22)28-33(29,30)18-6-1-10(7-14(18)23)20(24,25)26/h1-9,28H","","2009-10-20","2011-06-04","2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide",""],["GQF","1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","C19 H26 N4 O S","CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4;Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)C4CCCC4)C(=O)C","InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3","","2022-02-03","2022-09-23","1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["Z2C","4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid","C23 H36 O6 S","OC1CC(O)C(CCC(O)Cc2cccc(COC)c2)C1CCSCCCC(=O)O;COCc1cccc(C[CH](O)CC[CH]2[CH](O)C[CH](O)[CH]2CCSCCCC(O)=O)c1;COCc1cccc(c1)CC(CCC2C(CC(C2CCSCCCC(=O)O)O)O)O","InChI=1S/C23H36O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,12,18-22,24-26H,3,6-11,13-15H2,1H3,(H,27,28)/t18-,19+,20+,21+,22-/m0/s1","","2023-03-06","2024-01-05","4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid","2024-01-10"],["GQG","N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine","C20 H21 N2","N(c1cc[n+](cc1)Cc3ccc(c2ccccc2)cc3)(C)C;CN(C)c1cc[n+](Cc2ccc(cc2)c3ccccc3)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3","InChI=1S/C20H21N2/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/q+1","","2013-11-21","2014-09-05","1-(biphenyl-4-ylmethyl)-4-(dimethylamino)pyridinium","2014-01-15"],["GQH","(2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","C30 H43 N7 O5 S","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH](C)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;CC(C)CC(C(=O)NC(C)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-]","InChI=1S/C30H43N7O5S/c1-20(2)16-26(35-30(40)27(36-37-32)18-22-8-6-5-7-9-22)29(39)33-21(3)28(38)34-25(14-15-43(4,41)42)17-23-10-12-24(19-31)13-11-23/h5-13,20-21,25-27H,14-19,31H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t21-,25+,26-,27-/m0/s1","","2018-10-03","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","2019-01-30"],["Z2D","alpha-L-allopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m0/s1","alpha-L-allose; L-allose; allose","2012-12-17","2020-07-17","alpha-L-allopyranose","2020-07-29"],["GQI","(2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid","C5 H8 N2 O5 S","N[CH](CSON=CC(O)=O)C(O)=O;C(C(C(=O)O)N)SON=CC(=O)O","InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1","","2022-05-17","2024-09-27","(2~{R})-2-azanyl-3-[(~{E})-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid","2023-05-31"],["Z2F","1,3-benzothiazole-6-sulfonamide","C7 H6 N2 O2 S2","NS(=O)(=O)c1ccc2ncsc2c1;N[S](=O)(=O)c1ccc2ncsc2c1;c1cc2c(cc1S(=O)(=O)N)scn2","InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)","","2023-06-22","2023-07-07","1,3-benzothiazole-6-sulfonamide","2023-07-12"],["Z2M","3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine","C13 H11 N3 O","n3c(c2c(c1occc1)ccnc2n3)C4CC4;C1CC1c2n[nH]c3nccc(c4occc4)c23;c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4","InChI=1S/C13H11N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15,16)","","2012-10-08","2013-06-21","3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine","2013-06-26"],["GQJ","methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate","C11 H13 N O5","COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2;COC(=O)C1CC(CN1C(=O)c2ccco2)O","InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1","","2018-05-31","2018-12-14","methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate","2018-12-19"],["GQK","(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C31 H44 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)[CH](O)C(C)(C)O)cc1;CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(Cc2ccccc2)C(C(C)(C)O)O)NC(=O)CN3CCOCC3","InChI=1S/C31H44N4O7/c1-21(32-27(36)20-35-14-16-42-17-15-35)29(38)34-26(19-23-10-12-24(41-4)13-11-23)30(39)33-25(28(37)31(2,3)40)18-22-8-6-5-7-9-22/h5-13,21,25-26,28,37,40H,14-20H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,28+/m0/s1","","2018-10-03","2024-09-27","(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["Z2O","{4-[(3S,5R)-3-[(4-chloro-3-fluorophenyl)carbamoyl]-5-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl}acetic acid","C20 H26 Cl F N4 O5","OC(=O)CN1CCN(CC1)C(=O)N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1;OC[CH]1C[CH](CN(C1)C(=O)N2CCN(CC2)CC(O)=O)C(=O)Nc3ccc(Cl)c(F)c3;c1cc(c(cc1NC(=O)C2CC(CN(C2)C(=O)N3CCN(CC3)CC(=O)O)CO)F)Cl","InChI=1S/C20H26ClFN4O5/c21-16-2-1-15(8-17(16)22)23-19(30)14-7-13(12-27)9-26(10-14)20(31)25-5-3-24(4-6-25)11-18(28)29/h1-2,8,13-14,27H,3-7,9-12H2,(H,23,30)(H,28,29)/t13-,14+/m1/s1","","2023-03-06","2023-06-02","{4-[(3S,5R)-3-[(4-chloro-3-fluorophenyl)carbamoyl]-5-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl}acetic acid","2023-06-07"],["GQL","(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol","C21 H14 F2 N2 O2","Fc4cc(c1ccnc2N=CC(c12)=C(O)c3cccc(OC)c3)cc(F)c4;COc1cccc(c1)C(O)=C2C=Nc3nccc(c4cc(F)cc(F)c4)c23;COc1cccc(c1)C(=C2C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)O","InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18-","","2009-05-27","2011-06-04","(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol",""],["Z2T","(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol","C13 H17 Cl O7","Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O;COc1cc(Cl)c(O)c(c1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;COc1cc(c(c(c1)Cl)O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H17ClO7/c1-20-5-2-6(9(16)7(14)3-5)13-12(19)11(18)10(17)8(4-15)21-13/h2-3,8,10-13,15-19H,4H2,1H3/t8-,10-,11+,12-,13+/m1/s1","","2010-07-01","2020-07-17","(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol",""],["Z2V","N-[(1R,3S,4R,5S)-3-{(1R)-2-[(2R,4r,6S)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide","C22 H28 N2 O5","O=C1CC(CC(O)C2CC(C)(NC(=O)c3ccccc3)CC(C)C2=O)CC(=O)N1;C[CH]1C[C](C)(C[CH]([CH](O)CC2CC(=O)NC(=O)C2)C1=O)NC(=O)c3ccccc3;CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3","InChI=1S/C22H28N2O5/c1-13-11-22(2,24-21(29)15-6-4-3-5-7-15)12-16(20(13)28)17(25)8-14-9-18(26)23-19(27)10-14/h3-7,13-14,16-17,25H,8-12H2,1-2H3,(H,24,29)(H,23,26,27)/t13-,16-,17+,22+/m0/s1","","2021-04-07","2021-08-27","N-{(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl}benzamide","2021-09-01"],["GQM","5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol","C10 H10 N2 O2","COc1ccc(c(O)c1)c2cc[nH]n2;COc1ccc(c(c1)O)c2cc[nH]n2","InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)","","2018-05-31","2018-12-14","5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol","2018-12-19"],["Z2Z","8-(methanesulfonyl)quinoline","C10 H9 N O2 S","CS(=O)(=O)c1cccc2cccnc12;C[S](=O)(=O)c1cccc2cccnc12;CS(=O)(=O)c1cccc2c1nccc2","InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3","","2023-06-22","2023-07-07","8-(methanesulfonyl)quinoline","2023-07-12"],["GQN","4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide","C21 H18 N2 O4","COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO;COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO","InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)","","2018-10-04","2018-10-26","4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide","2018-10-31"],["Z30","(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide","C12 H20 N4 O","O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN;CC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1;CC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1","InChI=1S/C12H20N4O/c1-12(2,3)7-4-5-9-8(6-7)10(16-15-9)11(17)14-13/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)/t7-/m1/s1","","2011-03-25","2012-08-03","(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide",""],["GQO","2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide","C19 H29 N5 O4 S","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)N(C)C;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CC[S](=O)(=O)N(C)C;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C","InChI=1S/C19H29N5O4S/c1-4-15-17(18(20)23-19(21)22-15)28-12-7-11-27-16-9-6-5-8-14(16)10-13-29(25,26)24(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H4,20,21,22,23)","","2022-01-03","2022-02-04","2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide","2022-02-09"],["Z31","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone","C17 H15 N3 O S","O=C(c1sc(nc1N)NC/C=C)c3cc2ccccc2cc3;Nc1nc(NCC=C)sc1C(=O)c2ccc3ccccc3c2;C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N","InChI=1S/C17H15N3OS/c1-2-9-19-17-20-16(18)15(22-17)14(21)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9,18H2,(H,19,20)","","2011-03-25","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone","2012-10-26"],["GQP","1-[(4-fluorophenyl)methyl]benzimidazole","C14 H11 F N2","Fc1ccc(Cn2cnc3ccccc23)cc1;c1ccc2c(c1)ncn2Cc3ccc(cc3)F","InChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2","","2018-05-31","2018-10-05","1-[(4-fluorophenyl)methyl]benzimidazole","2018-10-10"],["Z34","N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-3,5-DIFLUORO-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]-N-METHYLGLYCINE","C25 H24 F2 N6 O5","O=C(O)CN(c2c(F)c(nc(Oc1cc(C(=[N@H])N)ccc1O)c2F)Oc4cc(C3=NCCN3C)ccc4)C;CN1CCN=C1c2cccc(Oc3nc(Oc4cc(ccc4O)C(N)=N)c(F)c(N(C)CC(O)=O)c3F)c2;[H]N=C(c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)N","InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)","","2000-08-15","2011-06-04","N-{2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl}-N-methylglycine",""],["GQQ","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide","C29 H44 N6 O5 S","CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)c1cnccn1)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2","InChI=1S/C29H44N6O5S/c1-19(2)14-24(34-28(37)25(15-20(3)4)35-29(38)26-18-31-11-12-32-26)27(36)33-23(10-13-41(5,39)40)16-21-6-8-22(17-30)9-7-21/h6-9,11-12,18-20,23-25H,10,13-17,30H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)/t23-,24+,25+/m1/s1","","2018-10-04","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide","2019-01-30"],["Z3A","4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide","C18 H20 N4 O3","O=C(c1cnn2c(c1NC(CO)C(O)C)cc(c2)c3ccccc3)N;C[CH](O)[CH](CO)Nc1c2cc(cn2ncc1C(N)=O)c3ccccc3;CC(C(CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O","InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1","","2019-02-12","2019-05-17","4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide","2019-05-22"],["GQR","(1~{S})-2,3-dihydro-1~{H}-inden-1-amine","C9 H11 N","N[CH]1CCc2ccccc12;c1ccc2c(c1)CCC2N","InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1","","2020-09-23","2021-09-10","(1~{S})-2,3-dihydro-1~{H}-inden-1-amine","2021-09-15"],["Z3D","(1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside","C13 H25 N O9","OCC1CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O;N[CH]1C[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)CO","InChI=1S/C13H25NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h4-13,15-21H,1-3,14H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-,13-/m1/s1","","2021-04-07","2021-07-09","(1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside","2021-07-14"],["GQS","N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine","C9 H8 F N3 S","n2nc(Nc1cccc(c1)F)sc2C;Cc1sc(Nc2cccc(F)c2)nn1;Cc1nnc(s1)Nc2cccc(c2)F","InChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13)","","2018-05-31","2018-12-14","N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine","2018-12-19"],["Z3E","O-benzyl-L-threonine","C11 H15 N O3","O=C(O)C(N)C(OCc1ccccc1)C;C[CH](OCc1ccccc1)[CH](N)C(O)=O;CC(C(C(=O)O)N)OCc1ccccc1","InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1","","2010-10-27","2024-09-27","O-benzyl-L-threonine",""],["GQT","(2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","C30 H43 N7 O6 S","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH](CO)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;CC(C)CC(C(=O)NC(CO)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-]","InChI=1S/C30H43N7O6S/c1-20(2)15-25(34-29(40)26(36-37-32)17-21-7-5-4-6-8-21)28(39)35-27(19-38)30(41)33-24(13-14-44(3,42)43)16-22-9-11-23(18-31)12-10-22/h4-12,20,24-27,38H,13-19,31H2,1-3H3,(H,33,41)(H,34,40)(H,35,39)/t24-,25+,26+,27+/m1/s1","","2018-10-04","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","2019-01-30"],["Z3F","(3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide","C18 H24 Cl F N4 O2","O=C(N1CCN(C)CC1)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1;CN1CCN(CC1)C(=O)N2CCC[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;CN1CCN(CC1)C(=O)N2CCCC(C2)C(=O)Nc3ccc(c(c3)F)Cl","InChI=1S/C18H24ClFN4O2/c1-22-7-9-23(10-8-22)18(26)24-6-2-3-13(12-24)17(25)21-14-4-5-15(19)16(20)11-14/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,21,25)/t13-/m0/s1","","2023-03-06","2023-06-02","(3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide","2023-06-07"],["GQU","(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide","C24 H29 F2 N3 O4","Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1;c1c(cc(cc1F)F)CCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)C=O","InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1","","2020-09-23","2024-09-27","(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide","2020-10-07"],["GQV","1-methyl-3-oxidanyl-pyridin-2-one","C6 H7 N O2","CN1C=CC=C(O)C1=O;CN1C=CC=C(C1=O)O","InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3","","2018-05-31","2018-12-14","1-methyl-3-oxidanyl-pyridin-2-one","2018-12-19"],["Z3H","N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide","C10 H13 N O3 S","CS(=O)(=O)NC1CCOc2ccccc21;C[S](=O)(=O)N[CH]1CCOc2ccccc12;CS(=O)(=O)NC1CCOc2c1cccc2","InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1","","2023-06-22","2023-07-07","N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide","2023-07-12"],["Z3J","5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide","C23 H24 N2 O5","CNC(=O)c1c2c(oc1c1ccc(O)cc1)ccc(O)c2CN1CCC2(C1)COC2;CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)c5ccc(O)cc5;CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O","InChI=1S/C23H24N2O5/c1-24-22(28)20-19-16(10-25-9-8-23(11-25)12-29-13-23)17(27)6-7-18(19)30-21(20)14-2-4-15(26)5-3-14/h2-7,26-27H,8-13H2,1H3,(H,24,28)","","2021-04-08","2022-02-11","5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide","2022-02-16"],["GQW","~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide","C16 H11 Cl N2 O3 S","ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1;c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO","InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)","","2018-10-04","2018-10-26","~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide","2018-10-31"],["GQX","2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine","C13 H15 N5 O S","Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3;Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O","InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18)","","2022-02-03","2022-09-23","2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine","2022-09-28"],["Z3K","(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol","C12 H19 N O10 S","O=S(=O)(N)C1OC(C(O)C(OC(=O)C)C1OC(=O)C)COC(=O)C;CC(=O)OC[CH]1O[CH]([CH](OC(C)=O)[CH](OC(C)=O)[CH]1O)[S](N)(=O)=O;CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O","InChI=1S/C12H19NO10S/c1-5(14)20-4-8-9(17)10(21-6(2)15)11(22-7(3)16)12(23-8)24(13,18)19/h8-12,17H,4H2,1-3H3,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1","","2012-12-18","2020-07-17","(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol","2020-07-29"],["GQY","2-methoxy-4-morpholin-4-yl-aniline","C11 H16 N2 O2","COc1cc(ccc1N)N2CCOCC2;COc1cc(ccc1N)N2CCOCC2","InChI=1S/C11H16N2O2/c1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3","","2018-06-01","2019-04-05","2-methoxy-4-morpholin-4-yl-aniline","2019-04-10"],["Z3L","2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose","C14 H20 O10","O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C;CC(=O)OC[CH]1O[CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O;CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C","InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1","","2012-12-17","2020-07-17","2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose","2020-07-29"],["Z3N","2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one","C30 H34 F3 N5 O","Cn1cnnc1C1(CC(C)C1)c1cc(ccc1)N1Cc2c(cc(cc2C(F)(F)F)CN2CCCC(C)C2)C1=O;C[CH]1CCCN(C1)Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c4cccc(c4)[C]5(C[CH](C)C5)c6nncn6C;CC1CCCN(C1)Cc2cc3c(c(c2)C(F)(F)F)CN(C3=O)c4cccc(c4)C5(CC(C5)C)c6nncn6C","InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20-,29+/m0/s1","","2023-03-06","2023-03-17","2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one","2023-03-22"],["GQZ","~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide","C14 H12 N2 O3","ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO","InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)","","2018-10-04","2018-10-26","~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide","2018-10-31"],["GR0","GERANYLGERANYL MONOPHOSPHATE","C20 H35 O4 P","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C","InChI=1S/C20H35O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H2,21,22,23)/b18-11+,19-13?,20-15?","(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl dihydrogen phosphate","2009-11-11","2021-03-13","[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] dihydrogen phosphate",""],["Z3O","(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole","C15 H18 N2","CC1C=CN(CC2C=Nc3ccccc23)CC1;C[CH]1CCN(C[CH]2C=Nc3ccccc23)C=C1;CC1CCN(C=C1)CC2C=Nc3c2cccc3","InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1","","2023-06-22","2023-07-07","(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole","2023-07-12"],["Z3P","3,3',3''-phosphoryltripropanoic acid","C9 H15 O7 P","O=C(O)CCP(=O)(CCC(=O)O)CCC(=O)O;OC(=O)CC[P](=O)(CCC(O)=O)CCC(O)=O;C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O","InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)","","2016-05-11","2019-03-22","3,3',3''-phosphoryltripropanoic acid","2019-03-27"],["GR1","6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID","C27 H35 N3 O4","O=C(N(CC)CC)c3cc(c1cc2c(cc1)C(C(C(=O)O)CCCCC(=[N@H])N)C(O)C2)ccc3;CCN(CC)C(=O)c1cccc(c1)c2ccc3[CH]([CH](O)Cc3c2)[CH](CCCCC(N)=N)C(O)=O;CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)CC(C3C(CCCCC(=N)N)C(=O)O)O","InChI=1S/C27H35N3O4/c1-3-30(4-2)26(32)19-9-7-8-17(14-19)18-12-13-21-20(15-18)16-23(31)25(21)22(27(33)34)10-5-6-11-24(28)29/h7-9,12-15,22-23,25,31H,3-6,10-11,16H2,1-2H3,(H3,28,29)(H,33,34)/t22-,23+,25-/m1/s1","GR179849","1999-07-08","2024-09-27","(2R,7E)-7-amino-2-{(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl}-7-iminoheptanoic acid",""],["Z3Q","2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C10 H18 N4 O6","O=C(NC1C(O)C(O)C(OC1OCCN=[N+]=[N-])CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN=[N+]=[N-];CC(=O)NC1C(C(C(OC1OCCN=[N+]=[N-])CO)O)O","InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1","2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside; 2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucoside;\n2-azidoethyl 2-acetamido-2-deoxy-D-glucoside; 2-azidoethyl 2-acetamido-2-deoxy-glucoside","2012-12-20","2020-07-17","2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside","2016-03-23"],["GR2","(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one","C17 H14 O5","c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4;CC1=C[CH](OC=C2[CH]3Cc4ccccc4[CH]3OC2=O)OC1=O;CC1=CC(OC1=O)OC=C2C3Cc4ccccc4C3OC2=O","InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1","","2015-09-02","2024-11-19","(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one","2015-10-28"],["Z3R","4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide","C11 H8 N2 O2 S3","O=S(=O)(N)c3scc(c1nc2ccccc2s1)c3;N[S](=O)(=O)c1scc(c1)c2sc3ccccc3n2;c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N","InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)","","2012-05-14","2014-09-05","4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide","2013-03-27"],["GR3","3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID","C32 H46 O7","O=C(C=C(/C)C)CC(C=O)C4C3(CCC1C(=CCC2C1(C)CCC(OC(=O)C)C2(C(=O)O)C)C3(C)CC4O)C;CC(C)=CC(=O)C[CH](C=O)[CH]1[CH](O)C[C]2(C)C3=CC[CH]4[C](C)(CC[CH](OC(C)=O)[C]4(C)C(O)=O)[CH]3CC[C]12C;CC(=CC(=O)CC(C=O)C1C(CC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C(=O)O)OC(=O)C)C)C)C)O)C","InChI=1S/C32H46O7/c1-18(2)14-21(35)15-20(17-33)27-24(36)16-31(6)23-8-9-25-29(4,22(23)10-13-30(27,31)5)12-11-26(39-19(3)34)32(25,7)28(37)38/h8,14,17,20,22,24-27,36H,9-13,15-16H2,1-7H3,(H,37,38)/t20-,22-,24-,25+,26+,27+,29+,30-,31+,32-/m0/s1","","1999-07-08","2024-09-27","(3alpha,5beta,14beta,16alpha,17alpha)-3-(acetyloxy)-16-hydroxy-21,23-dioxolanosta-7,24-dien-28-oic acid",""],["GR4","R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER","C38 H56 O14","O=C(OC1OC(C(O)C(O)C1O)CO)C5(C)C4CC=C2C(CC(O)C3(C)C(C(C=O)CC(=O)C=C(/C)C)C(O)CC23CO)C4(C)CCC5OC(=O)C;CC(C)=CC(=O)C[CH](C=O)[CH]1[CH](O)C[C]2(CO)C3=CC[CH]4[C](C)(CC[CH](OC(C)=O)[C]4(C)C(=O)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]3C[CH](O)[C]12C;CC(=CC(=O)CC(C=O)C1C(CC2(C1(C(CC3C2=CCC4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C","InChI=1S/C38H56O14/c1-18(2)11-21(43)12-20(15-39)29-24(44)14-38(17-41)22-7-8-26-35(4,23(22)13-27(45)37(29,38)6)10-9-28(50-19(3)42)36(26,5)34(49)52-33-32(48)31(47)30(46)25(16-40)51-33/h7,11,15,20,23-33,40-41,44-48H,8-10,12-14,16-17H2,1-6H3/t20-,23-,24-,25-,26+,27-,28+,29+,30-,31+,32-,33+,35+,36-,37-,38-/m0/s1","","1999-07-08","2024-09-27","1-O-[(3alpha,5beta,12alpha,14beta,16alpha,17alpha)-3-(acetyloxy)-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dien-28-yl]-beta-L-glucopyranose",""],["Z3U","beta-D-Digitoxopyranose","C6 H12 O4","OC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1O;CC1C(C(CC(O1)O)O)O","InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1","beta-D-Digitoxose; 2,6-dideoxy-beta-D-ribo-hexopyranose; 2,6-dideoxy-beta-D-allopyranose;\n2,6-dideoxy-beta-D-altropyranose; D-Digitoxose; Digitoxose","2012-12-17","2020-07-17","2,6-dideoxy-beta-D-ribo-hexopyranose","2020-07-29"],["Z3V","2-(ethylamino)ethane-1-thiol","C4 H11 N S","CCNCCS;CCNCCS;CCNCCS","InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3","","2021-04-08","2024-09-27","2-(ethylamino)ethane-1-thiol","2021-11-24"],["GR5","(2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","C34 H42 F2 N4 O7 S2","s1c(nc6c1cc(S(=O)(N(CC(O)C(NC(OC2CC4C3C2CCOC3OC4)=O)Cc5cc(cc(c5)F)F)CC(C)C)=O)cc6)NC7CC7;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3CO[CH]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CC3COC4C3C2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C34H42F2N4O7S2/c1-18(2)15-40(49(43,44)24-5-6-26-30(14-24)48-33(38-26)37-23-3-4-23)16-28(41)27(11-19-9-21(35)13-22(36)10-19)39-34(42)47-29-12-20-17-46-32-31(20)25(29)7-8-45-32/h5-6,9-10,13-14,18,20,23,25,27-29,31-32,41H,3-4,7-8,11-12,15-17H2,1-2H3,(H,37,38)(H,39,42)/t20-,25-,27-,28+,29-,31+,32+/m0/s1","","2018-02-09","2018-05-25","(2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","2018-05-30"],["Z41","(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate","C35 H68 O5","O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1","","2012-12-17","2024-09-27","(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate","2021-04-07"],["GR6","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate","C32 H42 N2 O9 S","O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN5CCCCC=CCCOc4cc(OC)ccc4S5(=O)=O;COc1ccc2c(OCCC=CCCCCN(C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45)[S]2(=O)=O)c1;COc1ccc2c(c1)OCCC=CCCCCN(S2(=O)=O)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C32H42N2O9S/c1-39-24-13-14-30-28(20-24)40-17-10-5-3-2-4-9-16-34(44(30,37)38)21-27(35)26(19-23-11-7-6-8-12-23)33-32(36)43-29-22-42-31-25(29)15-18-41-31/h3,5-8,11-14,20,25-27,29,31,35H,2,4,9-10,15-19,21-22H2,1H3,(H,33,36)/b5-3+/t25-,26-,27+,29-,31+/m0/s1","","2009-07-08","2011-06-04","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate",""],["GR7","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate","C32 H42 N2 O9 S","c2(cc1COCC=CCCCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCCC34)=O)Cc5ccccc5)OC;COc1ccc2c(COCC=CCCCCN(C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45)[S]2(=O)=O)c1;COc1ccc2c(c1)COCC=CCCCCN(S2(=O)=O)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C32H42N2O9S/c1-39-25-12-13-30-24(19-25)21-40-16-9-4-2-3-8-15-34(44(30,37)38)20-28(35)27(18-23-10-6-5-7-11-23)33-32(36)43-29-22-42-31-26(29)14-17-41-31/h4-7,9-13,19,26-29,31,35H,2-3,8,14-18,20-22H2,1H3,(H,33,36)/b9-4+/t26-,27-,28+,29-,31+/m0/s1","","2017-07-28","2017-10-06","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate","2017-10-11"],["Z46","(5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide","C11 H18 N4 O","O=C(c1nnc2c1CC(CC2)CCC)NN;CCC[CH]1CCc2[nH]nc(C(=O)NN)c2C1;CCCC1CCc2c(c(n[nH]2)C(=O)NN)C1","InChI=1S/C11H18N4O/c1-2-3-7-4-5-9-8(6-7)10(15-14-9)11(16)13-12/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1","","2011-04-15","2012-08-03","(5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide",""],["Z47","(2R,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-[3-(NAPHTHALEN-1-YL)PROPYL]OXANE-3,4,5-TRIOL","C19 H24 O5","OC[CH]1O[CH](CCCc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)cccc2CCCC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C19H24O5/c20-11-16-18(22)19(23)17(21)15(24-16)10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h1-3,5-7,9,15-23H,4,8,10-11H2/t15-,16+,17+,18-,19+/m0/s1","","2015-08-10","2016-03-04","(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol","2016-03-09"],["GR8","(2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","C34 H42 F2 N4 O7 S2","s1c3c(nc1NC2CC2)ccc(c3)S(=O)(=O)N(CC(C(Cc4cc(F)cc(c4)F)NC(=O)OC5CC7C6C5CCOC6OC7)O)CC(C)C;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3CO[CH]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CC3COC4C3C2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C34H42F2N4O7S2/c1-18(2)15-40(49(43,44)24-5-6-26-30(14-24)48-33(38-26)37-23-3-4-23)16-28(41)27(11-19-9-21(35)13-22(36)10-19)39-34(42)47-29-12-20-17-46-32-31(20)25(29)7-8-45-32/h5-6,9-10,13-14,18,20,23,25,27-29,31-32,41H,3-4,7-8,11-12,15-17H2,1-2H3,(H,37,38)(H,39,42)/t20-,25-,27+,28-,29-,31+,32+/m1/s1","","2018-02-09","2018-05-25","(2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","2018-05-30"],["GR9","3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE","C21 H23 N7 O3 S","O=S(=O)(c3ccc(c2nc(C(=O)Nc1cccnc1)c(nc2)N)cc3)N4CCN(C)CC4;CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)c(n3)C(=O)Nc4cccnc4;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N","InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)","","2011-12-15","2014-09-05","3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(pyridin-3-yl)pyrazine-2-carboxamide",""],["Z48","N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide","C24 H23 N5 O2","O=C(c3cc(c1nc(ncc1C)Nc2ccccc2)cn3)NC(c4ccccc4)CO;Cc1cnc(Nc2ccccc2)nc1c3c[nH]c(c3)C(=O)N[CH](CO)c4ccccc4;Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3ccccc3)Nc4ccccc4","InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1","","2009-07-02","2011-06-04","N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide",""],["Z4I","2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide","C14 H13 F2 N5 O2","FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1;FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1;c1ccc(cc1)CNc2ncc(cn2)C(=O)NNC(=O)C(F)F","InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19)","","2023-03-06","2023-09-29","2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide","2023-10-04"],["GRA","glutaryl-coenzyme A","C26 H42 N7 O19 P3 S","O=C(O)CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O","InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1","","2009-03-19","2011-06-04","(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)",""],["GRB","8-bromoguanosine 5'-(dihydrogen phosphate)","C10 H13 Br N5 O8 P","O=P(O)(O)OCC3OC(n2c(Br)nc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c(Br)nc2C(=O)N1;C(C1C(C(C(O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O","InChI=1S/C10H13BrN5O8P/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19)/t2-,4-,5-,8-/m1/s1","","2011-03-15","2011-06-04","8-bromoguanosine 5'-(dihydrogen phosphate)",""],["Z4K","2-O-sulfo-alpha-D-glucopyranose","C6 H12 O9 S","O=S(=O)(OC1C(O)C(O)C(OC1O)CO)O;OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)O)O","InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1","2-O-sulfo-alpha-D-glucose; 2-O-sulfo-D-glucose; 2-O-sulfo-glucose","2012-12-17","2020-07-17","2-O-sulfo-alpha-D-glucopyranose","2016-11-02"],["GRC","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine","C11 H17 Cl N5 O12 P3","O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N","InChI=1S/C11H17ClN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10+/m0/s1","","2012-06-06","2012-06-08","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine",""],["Z4R","methyl 3-thio-alpha-D-mannopyranoside","C7 H14 O5 S","OC1C(S)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](S)[CH]1O;COC1C(C(C(C(O1)CO)O)S)O","InChI=1S/C7H14O5S/c1-11-7-5(10)6(13)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1","","2012-12-19","2020-07-17","methyl 3-thio-alpha-D-mannopyranoside","2020-07-29"],["GRD","benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate","C27 H38 N8 O5","O=C(OCc1ccccc1)NC(C(=O)NC(CC)C(O)C(=O)NCCCn2c3ncnc(c3nc2)N)CC(C)C;CC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)NCCCn2cnc3c(N)ncnc23;CCC(C(C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)C(CC(C)C)NC(=O)OCc3ccccc3","InChI=1S/C27H38N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20,22,36H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19-,20-,22-/m0/s1","","2007-12-08","2011-06-04","benzyl [(1S)-1-{[(1S,2S)-3-{[3-(6-amino-9H-purin-9-yl)propyl]amino}-1-ethyl-2-hydroxy-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate (non-preferred name)",""],["Z4S","1,6-anhydro-N-acetyl-beta-D-glucopyranosamine","C8 H13 N O5","O=C(NC2C(O)C(O)C1OC2OC1)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH]2CO[CH]1O2;CC(=O)NC1C(C(C2COC1O2)O)O","InChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1","N-[(1R,2S,3R,4R,5R)-2,3-bis(oxidanyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide;\n1,6-anhydro-N-acetyl-beta-D-glucosamine; 1,6-anhydro-N-acetyl-D-glucosamine; 1,6-anhydro-N-acetyl-glucosamine","2012-12-18","2020-07-17","N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name)","2018-03-14"],["GRE","2,6-DIHYDROXYBENZOIC ACID","C7 H6 O4","O=C(O)c1c(O)cccc1O;OC(=O)c1c(O)cccc1O;c1cc(c(c(c1)O)C(=O)O)O","InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)","","2006-08-07","2011-06-04","2,6-dihydroxybenzoic acid",""],["Z4U","methyl 4-thio-alpha-D-xylopyranoside","C6 H12 O4 S","OC1C(O)C(S)COC1OC;CO[CH]1OC[CH](S)[CH](O)[CH]1O;COC1C(C(C(CO1)S)O)O","InChI=1S/C6H12O4S/c1-9-6-5(8)4(7)3(11)2-10-6/h3-8,11H,2H2,1H3/t3-,4+,5-,6+/m1/s1","","2012-12-18","2020-07-17","methyl 4-thio-alpha-D-xylopyranoside","2020-07-29"],["Z4V","4-thio-beta-L-ribopyranose","C5 H10 O4 S","OC1C(S)COC(O)C1O;O[CH]1OC[CH](S)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)S","InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3-,4-,5-/m0/s1","","2012-12-18","2020-07-17","4-thio-beta-L-ribopyranose","2020-07-29"],["GRF","5-O-phosphono-beta-D-ribofuranosylamine","C5 H12 N O7 P","O=P(O)(O)OCC1OC(N)C(O)C1O;N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)N)O)O)OP(=O)(O)O","InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1","5-O-phosphono-beta-D-ribosylamine; 5-O-phosphono-D-ribosylamine; 5-O-phosphono-ribosylamine","2005-06-16","2020-07-17","5-O-phosphono-beta-D-ribofuranosylamine",""],["GRG","GERANYLGERANYL DIPHOSPHATE","C20 H36 O7 P2","O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C","InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+","","2002-11-20","2012-01-05","(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate",""],["Z4W","beta-D-lyxopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1","beta-D-lyxose; D-lyxose; lyxose","2012-12-18","2025-07-15","beta-D-lyxopyranose","2020-07-29"],["Z4X","2-ethoxy-3-fluoro-N,N-dimethylbenzamide","C11 H14 F N O2","CCOc1c(cccc1F)C(=O)N(C)C;CCOc1c(F)cccc1C(=O)N(C)C;CCOc1c(cccc1F)C(=O)N(C)C","InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3","","2023-06-22","2023-07-07","2-ethoxy-3-fluoro-N,N-dimethylbenzamide","2023-07-12"],["GRH","(2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide","C21 H19 Cl N2 O4 S","C[CH](C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3;CC(c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl","InChI=1S/C21H19ClN2O4S/c1-14(15-6-3-2-4-7-15)21(25)24-17-10-11-19(20(13-17)29(23,26)27)28-18-9-5-8-16(22)12-18/h2-14H,1H3,(H,24,25)(H2,23,26,27)/t14-/m1/s1","","2018-10-05","2019-11-29","(2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide","2019-12-04"],["Z4Y","6-thio-alpha-D-mannopyranose","C6 H12 O5 S","OC1C(O)C(OC(O)C1O)CS;O[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)S","InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1","6-thio-alpha-D-mannose; 6-thio-D-mannose; 6-thio-mannose","2012-12-17","2023-08-03","6-thio-alpha-D-mannopyranose","2018-08-01"],["GRI","6-formyl-9-methoxyphenazine-1-carboxylic acid","C15 H10 N2 O4","O=C(O)c2c1nc3c(nc1ccc2)c(ccc3OC)C=O;COc1ccc(C=O)c2nc3cccc(C(O)=O)c3nc12;COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O","InChI=1S/C15H10N2O4/c1-21-11-6-5-8(7-18)12-14(11)17-13-9(15(19)20)3-2-4-10(13)16-12/h2-7H,1H3,(H,19,20)","","2011-07-01","2011-08-26","6-formyl-9-methoxyphenazine-1-carboxylic acid",""],["Z50","3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid","C16 H22 N4 O2 S2","Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2;Cc1cn(nn1)c2cc(cc(c2)CSCCN)CSCCC(=O)O","InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22)","3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid","2024-01-22","2024-09-27","3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid","2024-04-24"],["GRJ","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate","C16 H25 N5 O15 P2","C[CH](O)[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O)[CH]1O;CC(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3nc(nc4O)N)O)O)O)O)O","InChI=1S/C16H25N5O15P2/c1-4(22)11-8(24)10(26)15(34-11)35-38(30,31)36-37(28,29)32-2-5-7(23)9(25)14(33-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8-,9+,10-,11+,14+,15-/m0/s1","","2022-05-17","2023-03-24","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate","2023-03-29"],["Z53","(6S,9aS)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C31 H35 F3 N4 O3","CC[CH](C)[CH]1N2[CH](CN(Cc3cc4ccccc4c5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC(F)(F)F)Cc3cc4ccccc4c5c3cccc5","InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-22-17-21-9-4-5-10-23(21)25-12-7-6-11-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1","2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid","2023-02-10","2024-10-18","(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2024-10-23"],["GRK","4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide","C16 H16 N2 O4","COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO;COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO","InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)","","2018-10-05","2018-10-26","4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide","2018-10-31"],["Z57","(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol","C12 H15 Br O7","Brc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)c(Br)cc2O;c1c(c(cc(c1O)Br)O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15BrO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1","","2010-07-01","2020-07-17","(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol",""],["GRL","(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE","C29 H40 N2 O7 S","O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1S/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1","","2006-06-19","2011-06-04","(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate",""],["GRM","N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide","C26 H28 N2 O3","O=C(NCc1ccc2OCOc2c1)C5CCN(C(c4c3ccccc3ccc4)C)CC5;C[CH](N1CC[CH](CC1)C(=O)NCc2ccc3OCOc3c2)c4cccc5ccccc45;CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5","InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1","","2010-04-20","2011-06-04","N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide",""],["Z59","(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide","C19 H22 N2 O4 S","O[CH]([CH](O)C(=O)N1CCC[CH]1c2ccccc2)C(=O)NCc3sccc3;c1ccc(cc1)C2CCCN2C(=O)C(C(C(=O)NCc3cccs3)O)O","InChI=1S/C19H22N2O4S/c22-16(18(24)20-12-14-8-5-11-26-14)17(23)19(25)21-10-4-9-15(21)13-6-2-1-3-7-13/h1-3,5-8,11,15-17,22-23H,4,9-10,12H2,(H,20,24)/t15-,16-,17-/m1/s1","","2009-11-15","2011-06-04","(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide",""],["Z5A","P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE","C20 H24 N10 O22 P5","CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]","InChI=1S/C20H29N10O22P5/c1-8-3-29(20(34)26-18(8)33)12-2-9(27-28-22)10(47-12)4-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-5-11-14(31)15(32)19(48-11)30-7-25-13-16(21)23-6-24-17(13)30/h3,6-7,9-12,14-15,19,31-32H,2,4-5H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,24)(H,26,33,34)/p-5/t9-,10+,11+,12+,14+,15+,19+/m0/s1","","1999-07-08","2011-06-07","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate",""],["GRN","2-phenyl-L-alanine","C9 H11 N O2","O=C(O)C(N)(c1ccccc1)C;C[C](N)(C(O)=O)c1ccccc1;CC(c1ccccc1)(C(=O)O)N","InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m1/s1","","2014-10-02","2024-09-27","2-phenyl-L-alanine","2014-10-29"],["GRO","R-2-PHENYL-PROPRIONIC ACID","C9 H10 O2","O=C(O)C(c1ccccc1)C;C[CH](C(O)=O)c1ccccc1;CC(c1ccccc1)C(=O)O","InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1","","2001-11-02","2011-06-04","(2R)-2-phenylpropanoic acid",""],["Z5C","5-(methoxymethyl)-1,2-oxazole-3-carboxamide","C6 H8 N2 O3","O=C(N)c1cc(COC)on1;COCc1onc(c1)C(N)=O;COCc1cc(no1)C(=O)N","InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9)","","2023-06-22","2023-07-07","5-(methoxymethyl)-1,2-oxazole-3-carboxamide","2023-07-12"],["GRP","\n[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5S,6R)-3-hydroxy-5-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate","C24 H34 N7 O18 P3","O=C5NC(=Nc1c5ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(/N=Cc3c(cnc(c3O)C)COP(=O)(O)O)CC4O)C)O)O)N;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)C[CH]1N=Cc5c(O)c(C)ncc5CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2CC(C(OC2C)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O","InChI=1S/C24H34N7O18P3/c1-9-17(33)12(11(4-26-9)6-44-50(37,38)39)5-27-13-3-14(32)23(46-10(13)2)48-52(42,43)49-51(40,41)45-7-15-18(34)19(35)22(47-15)31-8-28-16-20(31)29-24(25)30-21(16)36/h4-5,8,10,13-15,18-19,22-23,32-35H,3,6-7H2,1-2H3,(H,40,41)(H,42,43)(H2,37,38,39)(H3,25,29,30,36)/b27-5-/t10-,13+,14+,15-,18-,19-,22-,23-/m1/s1","","2008-07-18","2013-06-06","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5S,6R)-3-hydroxy-5-[(Z)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["Z5D","(2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid","C24 H18 N4 O4 S","[O-][N+](=O)c1ccccc1C/C(=NNc1nc(cs1)c1ccc(cc1)c1ccccc1)C(=O)O;OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc2scc(n2)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)c3csc(n3)NN=C(Cc4ccccc4[N+](=O)[O-])C(=O)O","InChI=1S/C24H18N4O4S/c29-23(30)20(14-19-8-4-5-9-22(19)28(31)32)26-27-24-25-21(15-33-24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,25,27)(H,29,30)/b26-20+","","2021-04-08","2021-04-23","(2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid","2021-04-28"],["GRQ","Geranaldehyde","C10 H16 O","CC(C)=CCCC(C)=CC=O;CC(=CCCC(=CC=O)C)C","InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+","","2016-12-09","2018-07-27","(2~{E})-3,7-dimethylocta-2,6-dienal","2018-08-01"],["Z5G","2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid","C16 H14 Cl N O3 S","Clc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)O;OC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Cl)cc3;c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl","InChI=1S/C16H14ClNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21)","","2021-04-08","2021-10-01","2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid","2021-10-06"],["GRR","(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid","C17 H18 O3","O=C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2;CCc1ccc(O[CH](Cc2ccccc2)C(O)=O)cc1;CCc1ccc(cc1)OC(Cc2ccccc2)C(=O)O","InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1","","2008-02-28","2011-06-04","(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid",""],["Z5H","N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine","C21 H25 N3 O S","CN(Cc1nc(no1)C1(CCCC1)c1ccc(C)cc1)Cc1cccs1;CN(Cc1onc(n1)C2(CCCC2)c3ccc(C)cc3)Cc4sccc4;Cc1ccc(cc1)C2(CCCC2)c3nc(on3)CN(C)Cc4cccs4","InChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3","","2023-03-06","2023-09-29","N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine","2023-10-04"],["Z5I","(~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid","C11 H9 N O2","OC(=O)C=Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C=CC(=O)O","InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+","","2023-06-22","2024-07-05","(~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid","2024-07-10"],["GRT","(2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","C29 H41 N7 O5 S","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;CC(C)CC(C(=O)NCC(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-]","InChI=1S/C29H41N7O5S/c1-20(2)15-25(34-29(39)26(35-36-31)17-21-7-5-4-6-8-21)28(38)32-19-27(37)33-24(13-14-42(3,40)41)16-22-9-11-23(18-30)12-10-22/h4-12,20,24-26H,13-19,30H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)/t24-,25+,26+/m1/s1","","2018-10-05","2024-09-27","(2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","2019-01-30"],["Z5J","beta-L-Olivopyranose","C6 H12 O4","OC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1O;CC1C(C(CC(O1)O)O)O","InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m0/s1","beta-L-Olivose; 2,6-dideoxy-beta-L-arabino-hexopyranose; 2,6-dideoxy-beta-L-glucopyranose;\n2,6-dideoxy-beta-L-mannopyranose; 2-deoxy-beta-L-quinovopyranose; 2-deoxy-beta-L-rhamnoopyranose; L-Olivose; Olivose","2012-12-18","2020-07-17","2,6-dideoxy-beta-L-arabino-hexopyranose","2020-07-29"],["GRV","2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide","C13 H17 N3 O","CC(C)CNC(=O)c1n2ccccc2nc1C;Cc1c(n2ccccc2n1)C(=O)NCC(C)C","InChI=1S/C13H17N3O/c1-9(2)8-14-13(17)12-10(3)15-11-6-4-5-7-16(11)12/h4-7,9H,8H2,1-3H3,(H,14,17)","","2018-06-01","2019-04-05","2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide","2019-04-10"],["Z5K","N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide","C13 H19 F3 N2 O2 S","O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F;CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F;CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F","InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3","","2012-08-24","2014-09-05","N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide","2013-09-04"],["GRW","(2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","C31 H45 N7 O6 S","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH]([CH](C)O)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-]","InChI=1S/C31H45N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-13,20-21,25-28,39H,14-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/t21-,25-,26+,27-,28+/m1/s1","","2018-10-05","2024-09-27","(2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide","2019-01-30"],["Z5L","methyl 2-thio-alpha-D-mannopyranoside","C7 H14 O5 S","SC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S;COC1C(C(C(C(O1)CO)O)O)S","InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1","","2012-12-18","2020-07-17","methyl 2-thio-alpha-D-mannopyranoside","2020-07-29"],["GRX","(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol","C7 H14 F O8 P","O=P(O)(O)C(F)C1OC(C(O)C(O)C1O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](F)[P](O)(O)=O;C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O)O)O)O","InChI=1S/C7H14FO8P/c8-7(17(13,14)15)6-5(12)4(11)3(10)2(1-9)16-6/h2-7,9-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6-,7+/m1/s1","(S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose","2013-09-09","2020-07-17","(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol","2014-07-16"],["GRY","~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine","C12 H14 N4","Cc1cc(C)nc(Nc2ccc(N)cc2)n1;Cc1cc(nc(n1)Nc2ccc(cc2)N)C","InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)","","2018-06-01","2018-10-05","~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine","2018-10-10"],["Z5P","1-[2-(1H-pyrazol-1-yl)phenyl]methanamine","C10 H11 N3","n1cccn1c2c(cccc2)CN;NCc1ccccc1n2cccn2;c1ccc(c(c1)CN)n2cccn2","InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2","","2012-02-07","2014-09-05","1-[2-(1H-pyrazol-1-yl)phenyl]methanamine","2012-12-14"],["GRZ","1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide","C15 H10 Cl F N4 O3","ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3;c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F","InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)","","2018-10-08","2018-10-26","1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide","2018-10-31"],["Z5X","2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate","C20 H16 F7 N3 O3","CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O;CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F)(F)F;CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc3)F)C(F)(F)F)C(F)(F)F","InChI=1S/C20H16F7N3O3/c1-28-7-8-30(17(28)31)15-10-11(19(22,23)24)9-14(20(25,26)27)16(15)33-18(32)29(2)13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3","","2023-03-06","2024-06-14","2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate","2024-06-19"],["Z5Y","(2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid","C24 H19 Cl2 F O3","Fc1c(Cl)ccc(Cl)c1C(C)Oc1cc2c(cc1)ccc(/C=C/C(=O)O)c2C1CC1;C[CH](Oc1ccc2ccc(C=CC(O)=O)c(C3CC3)c2c1)c4c(Cl)ccc(Cl)c4F;CC(c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)C=CC(=O)O","InChI=1S/C24H19Cl2FO3/c1-13(22-19(25)9-10-20(26)24(22)27)30-17-8-6-14-2-3-16(7-11-21(28)29)23(15-4-5-15)18(14)12-17/h2-3,6-13,15H,4-5H2,1H3,(H,28,29)/b11-7+/t13-/m0/s1","","2021-04-08","2021-10-01","(2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid","2021-10-06"],["GS","GUANOSINE-5'-THIO-MONOPHOSPHATE","C10 H14 N5 O6 P S","O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(S)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)S)O)N=C(NC2=O)N","InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5'-O-thiophosphonoguanosine",""],["Z5Z","(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine","C9 H15 N3 O S","Cc1nc(sn1)N1CC(C)OC(C)C1;C[CH]1CN(C[CH](C)O1)c2snc(C)n2;Cc1nc(sn1)N2CC(OC(C2)C)C","InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+","","2023-06-22","2023-07-07","(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine","2023-07-12"],["GS0","Bacteriochlorophyll A isomer","C55 H74 Mg N4 O6","CC[CH]1[CH](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C;CCC1C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C","InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34?,35?,39?,40?,51+;/m1./s1","","2020-08-07","2020-11-20","","2020-11-25"],["Z60","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone","C11 H10 Cl N3 O S2","Clc1sc(cc1)C(=O)c2sc(nc2N)NCC=C;Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2;C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N","InChI=1S/C11H10ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)","","2011-05-13","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone","2012-10-26"],["GS1","1-thio-beta-D-glucopyranose","C6 H12 O5 S","OC1C(O)C(OC(S)C1O)CO;OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1","1-thio-beta-D-glucose; 1-thio-D-glucose; 1-thio-glucose","2001-11-26","2020-07-17","1-thio-beta-D-glucopyranose",""],["GS2","2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide","C27 H27 F N8 O3","O=C(n2c1cc(c(OC)cc1cc2)Nc3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN(C)C;CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4n(ccc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25;CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC","InChI=1S/C27H27FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-13H,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)","","2008-09-24","2011-06-04","2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide",""],["Z61","2-deoxy-alpha-D-arabino-hexopyranose","C6 H12 O5","OC1C(OC(O)CC1O)CO;OC[CH]1O[CH](O)C[CH](O)[CH]1O;C1C(C(C(OC1O)CO)O)O","InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1","2-deoxy-alpha-D-glucopyranose; 2-deoxy-alpha-D-mannopyranose","2012-12-18","2020-07-17","2-deoxy-alpha-D-arabino-hexopyranose","2020-07-29"],["GS3","2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide","C27 H31 F N8 O2","Fc1cccc(c1C(=O)N)Nc3nc(nc2nccc23)Nc5ccc(N4CCN(C(C)C)CC4)cc5OC;COc1cc(ccc1Nc2nc3[nH]ccc3c(Nc4cccc(F)c4C(N)=O)n2)N5CCN(CC5)C(C)C;CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F","InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)","","2008-09-24","2011-06-04","2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide",""],["Z62","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone","C13 H12 N4 O3 S","[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NCC=C;Nc1nc(NCC=C)sc1C(=O)c2cccc(c2)[N+]([O-])=O;C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N","InChI=1S/C13H12N4O3S/c1-2-6-15-13-16-12(14)11(21-13)10(18)8-4-3-5-9(7-8)17(19)20/h2-5,7H,1,6,14H2,(H,15,16)","","2011-03-25","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone","2012-10-26"],["Z63","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone","C12 H12 N4 O S","O=C(c1sc(nc1N)NCC=C)c2ccncc2;Nc1nc(NCC=C)sc1C(=O)c2ccncc2;C=CCNc1nc(c(s1)C(=O)c2ccncc2)N","InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-3-6-14-7-4-8/h2-4,6-7H,1,5,13H2,(H,15,16)","","2011-03-25","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone","2012-10-26"],["GS4","4-THIO-BETA-D-GLUCOPYRANOSE","C6 H12 O5 S","OC1C(S)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)O)O)O)S)O","InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1","","2001-11-26","2008-10-14","4-thio-beta-D-glucopyranose",""],["GS5","5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE","C19 H22 Cl N3 O5 S2","O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)CC4)C;C[CH](N1CC[CH](N[S](=O)(=O)c2sc3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl","InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1","","2006-08-18","2011-06-04","5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide",""],["Z64","N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine","C18 H21 N7 O","n1c(c(c(n1)c2occc2)CCCCN(c4ncnc3ncnc34)C)C;CN(CCCCc1c(C)n[nH]c1c2occc2)c3ncnc4nc[nH]c34;Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3","InChI=1S/C18H21N7O/c1-12-13(15(24-23-12)14-7-5-9-26-14)6-3-4-8-25(2)18-16-17(20-10-19-16)21-11-22-18/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,24)(H,19,20,21,22)","","2009-06-25","2011-06-04","N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine",""],["Z67","4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","C16 H13 F2 N5 O3 S2","Fc1cccc(F)c1NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F;c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F","InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)","","2011-03-29","2012-10-26","4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","2012-10-26"],["GS6","6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE","C19 H22 Cl N3 O5 S2","O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C;C[CH](N1CC[CH](N[S](=O)(=O)c2sc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl","InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1","","2006-08-18","2011-06-04","6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide",""],["Z68","[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone","C16 H18 N4 O3 S","[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC3CCCCC3;Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N","InChI=1S/C16H18N4O3S/c17-15-14(13(21)10-5-4-8-12(9-10)20(22)23)24-16(19-15)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,17H2,(H,18,19)","","2011-03-29","2012-10-26","[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone","2012-10-26"],["GS7","2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide","C22 H21 F N6 O4 S","O=S(=O)(C)Cc1ccc(c(OC)c1)Nc2nc4c(c(n2)Nc3cccc(F)c3C(=O)N)ccn4;COc1cc(C[S](C)(=O)=O)ccc1Nc2nc3[nH]ccc3c(Nc4cccc(F)c4C(N)=O)n2;COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C","InChI=1S/C22H21FN6O4S/c1-33-17-10-12(11-34(2,31)32)6-7-15(17)27-22-28-20-13(8-9-25-20)21(29-22)26-16-5-3-4-14(23)18(16)19(24)30/h3-10H,11H2,1-2H3,(H2,24,30)(H3,25,26,27,28,29)","","2008-09-24","2011-06-04","2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide",""],["Z69","(1S,2R,3R,4S,5R,6S)-2-(alpha-L-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-O-[(1R)-1-hydroxyhexadecyl]-beta-L-gulopyranosyl}oxy)cyclohexyl (2R)-2-{[(1S)-1-hydroxyhexadecyl]oxy}-3-{[(1S,10S)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (R)-phosphate","C72 H141 O24 P","O=P(OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCC(C)CCCCCCCC)(O)OC3C(OC1OC(C(O)C(O)C1O)COC(O)CCCCCCCCCCCCCCC)C(O)C(O)C(O)C3OC2OC(CO)C(O)C(O)C2O;CCCCCCCCCCCCCCC[CH](O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](CO[CH](O)CCCCCCCC[CH](C)CCCCCCCC)O[CH](O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(CCCCCCCCC(C)CCCCCCCC)O)OC(CCCCCCCCCCCCCCC)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O","InChI=1S/C72H141O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-85H,5-51H2,1-4H3,(H,86,87)/t52-,53+,54-,55-,56-,57+,58-,59-,60+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71-,72+/m0/s1","","2010-04-19","2011-06-04","(1S,2R,3R,4S,5R,6S)-2-(alpha-L-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-O-[(1R)-1-hydroxyhexadecyl]-beta-L-gulopyranosyl}oxy)cyclohexyl (2R)-2-{[(1S)-1-hydroxyhexadecyl]oxy}-3-{[(1S,10S)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (R)-phosphate",""],["GS8","S-Hydroxy-Glutathione","C10 H17 N3 O7 S","O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSO;N[CH](CCC(=O)N[CH](CSO)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C10H17N3O7S/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1","","2013-12-04","2014-12-12","L-gamma-glutamyl-S-hydroxy-L-cysteinylglycine","2014-12-17"],["Z6F","(3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide","C19 H26 Cl F N4 O3","O=C(N1CCN(C)CC1)N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1;CN1CCN(CC1)C(=O)N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;CN1CCN(CC1)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c(c3)F)Cl)CO","InChI=1S/C19H26ClFN4O3/c1-23-4-6-24(7-5-23)19(28)25-10-13(12-26)8-14(11-25)18(27)22-15-2-3-16(20)17(21)9-15/h2-3,9,13-14,26H,4-8,10-12H2,1H3,(H,22,27)/t13-,14+/m1/s1","","2023-03-07","2024-03-15","(3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide","2024-03-20"],["GS9","naphthalen-2-yl 1-thio-beta-D-galactopyranoside","C16 H18 O5 S","S(c1ccc2c(c1)cccc2)C3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH](Sc2ccc3ccccc3c2)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)SC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C16H18O5S/c17-8-12-13(18)14(19)15(20)16(21-12)22-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16+/m1/s1","naphthalen-2-yl 1-thio-beta-D-galactoside; naphthalen-2-yl 1-thio-D-galactoside; naphthalen-2-yl 1-thio-galactoside","2011-11-08","2020-07-17","naphthalen-2-yl 1-thio-beta-D-galactopyranoside","2012-10-12"],["Z6G","3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose","C6 H14 N O3","OC1C(OC(O)CC1[NH3+])C;C[CH]1O[CH](O)C[CH]([NH3+])[CH]1O;CC1C(C(CC(O1)O)[NH3+])O","InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/p+1/t3-,4-,5+,6-/m0/s1","","2012-12-17","2022-12-02","3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose","2022-12-07"],["GSA","O4-SULFONYLGALACTOSE","C6 H12 O9 S","O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O","InChI=1/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1/f/h11H","","1999-07-08","2008-10-14","4-O-sulfo-beta-D-galactopyranose",""],["GSB","S-BENZYL-GLUTATHIONE","C17 H23 N3 O6 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCc1ccccc1;N[CH](CCC(=O)N[CH](CSCc1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20-13(16(24)19-8-15(22)23)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t12-,13-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-benzyl-L-cysteinylglycine",""],["Z6H","alpha-L-altropyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m0/s1","alpha-L-altrose; L-altrose; altrose","2012-12-17","2020-07-17","alpha-L-altropyranose","2019-05-15"],["Z6I","4-(5-methyl-1H-pyrazol-4-yl)piperidine","C9 H15 N3","Cc1[NH]ncc1C1CCNCC1;Cc1[nH]ncc1C2CCNCC2;Cc1c(cn[nH]1)C2CCNCC2","InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)","","2023-06-23","2023-07-07","4-(5-methyl-1H-pyrazol-4-yl)piperidine","2023-07-12"],["GSC","2-ETHYLTHIO GLYCINE","C4 H9 N O2 S","O=C(O)C(SCC)N;CCS[CH](N)C(O)=O;CCSC(C(=O)O)N","InChI=1S/C4H9NO2S/c1-2-8-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2011-06-04","(2S)-amino(ethylsulfanyl)ethanoic acid",""],["Z6J","alpha-L-ribofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m0/s1","alpha-L-ribose; L-ribose; ribose","2012-12-19","2020-07-17","alpha-L-ribofuranose","2014-05-28"],["GSD","4-THIO-D-GLUCOSE","C6 H12 O5 S","OC1C(S)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)O)O)O)S)O","InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6?/m1/s1","","2001-03-30","2008-10-14","4-thio-beta-D-glucopyranose",""],["GSE","L-ALPHA-GLYCEROPHOSPHORYLSERINE","C6 H14 N O8 P","O=C(O)C(N)COP(=O)(OCC(O)CO)O;N[CH](CO[P](O)(=O)OC[CH](O)CO)C(O)=O;C(C(COP(=O)(O)OCC(C(=O)O)N)O)O","InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)/t4-,5+/m1/s1","","1999-07-08","2024-09-27","O-[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]-L-serine",""],["Z6P","2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide","C24 H22 F2 N4 O3","O=C(NC1CC1)c1cc(cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1C;Cc1cc(NC(=O)[CH](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3)C(=O)NC4CC4;Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)C(c4cc(cc(c4)F)F)O","InChI=1S/C24H22F2N4O3/c1-12-6-18(30-24(33)21(31)13-7-15(25)10-16(26)8-13)4-5-19(12)14-9-20(22(27)28-11-14)23(32)29-17-2-3-17/h4-11,17,21,31H,2-3H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1","","2021-04-09","2021-05-14","2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide","2021-05-19"],["Z6V","Vimseltinib","C23 H25 N7 O2","Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC(C)C)N(C)C2=O)c1;CC(C)NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cnn(C)c4)c(C)n2;Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C","InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)","3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one","2021-04-09","2021-11-19","3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one","2021-11-24"],["GSF","L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE","C10 H17 N3 O8 S","O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1","GLUTATHIONE SULFINATE","2005-03-09","2020-06-17","L-gamma-glutamyl-3-sulfino-L-alanylglycine",""],["Z6W","(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose","C14 H28 O6","OC1C(O)C(OC1(O)CO)CC(O)CCCCCCC;CCCCCCC[CH](O)C[CH]1O[C](O)(CO)[CH](O)[CH]1O;CCCCCCCC(CC1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-10(16)8-11-12(17)13(18)14(19,9-15)20-11/h10-13,15-19H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1","","2012-12-17","2020-07-17","(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose","2020-07-29"],["GSG","1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE","C22 H27 N3 O3","O=C(Oc1cc2c(cc1)N(C3[N+]([O-])(CCC23C)C)C)Nc4ccccc4CC;CCc1ccccc1NC(=O)Oc2ccc3N(C)C4C(C)(CC[N+]4(C)[O-])c3c2;CCc1ccccc1NC(=O)Oc2ccc3c(c2)C4(CC[N+](C4N3C)(C)[O-])C","InChI=1S/C22H27N3O3/c1-5-15-8-6-7-9-18(15)23-21(26)28-16-10-11-19-17(14-16)22(2)12-13-25(4,27)20(22)24(19)3/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)","GANSTIGMINE; (-)-(3AS,8AS,1S)-1,2,3,3A,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOL-5-OL-2'-ETHYLPHENYLCARBAMATE\nN-OXIDE HYDROCHLORIDE","2005-10-27","2024-09-27","1,3a,8-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2-ethylphenyl)carbamate",""],["GSH","Glutathione","C10 H17 N3 O6 S","O=C(NCC(=O)O)C(NC(=O)CCC(N)C(=O)O)CS;N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1","","1999-07-08","2026-03-06","L-gamma-glutamyl-L-cysteinylglycine",""],["Z6X","3-oxotetradecanoic acid","C14 H26 O3","O=C(CCCCCCCCCCC)CC(=O)O;CCCCCCCCCCCC(=O)CC(O)=O;CCCCCCCCCCCC(=O)CC(=O)O","InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)","","2012-12-17","2016-02-05","3-oxotetradecanoic acid","2016-02-10"],["Z70","(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid","C7 H12 N4 O2","O=C(O)C(N)CCc1cnc(N)n1;N[CH](CCc1[nH]c(N)nc1)C(O)=O;c1c([nH]c(n1)N)CCC(C(=O)O)N","InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1","2-aminohomohistidine","2010-04-08","2021-03-01","(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid",""],["GSI","2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide","C22 H25 Cl F N5 O3 S2","Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(c3ccc(n2ccnc2CN(C)C)cc3F)CC4;CN(C)Cc1nccn1c2ccc(N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4)C3=O)c(F)c2;CN(C)Cc1nccn1c2ccc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s4)Cl","InChI=1S/C22H25ClFN5O3S2/c1-27(2)14-21-25-9-11-28(21)15-3-5-19(17(24)13-15)29-10-7-18(22(29)30)26-34(31,32)12-8-16-4-6-20(23)33-16/h3-6,9,11,13,18,26H,7-8,10,12,14H2,1-2H3/t18-/m0/s1","","2007-11-16","2019-01-15","2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide",""],["Z71","4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","C16 H13 F2 N5 O3 S2","Fc1cc(cc(F)c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3cc(F)cc(F)c3;c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N","InChI=1S/C16H13F2N5O3S2/c17-8-5-9(18)7-11(6-8)21-15(24)13-14(19)23-16(27-13)22-10-1-3-12(4-2-10)28(20,25)26/h1-7H,19H2,(H,21,24)(H,22,23)(H2,20,25,26)","","2011-03-29","2012-10-26","4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","2012-10-26"],["GSJ","1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-","C23 H31 Cl N4 O6 S2","O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C;CC(C)N(CCN[S](C)(=O)=O)C(=O)[CH](C)N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O;CC(C)N(CCNS(=O)(=O)C)C(=O)C(C)N1CCC(C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl","InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1","","2006-08-31","2011-06-04","(2S)-2-[(3S)-3-{[(6-chloronaphthalen-2-yl)sulfonyl]amino}-2-oxopyrrolidin-1-yl]-N-(1-methylethyl)-N-{2-[(methylsulfonyl)amino]ethyl}propanamide",""],["Z72","8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one","C20 H18 Cl2 N2 O4","Clc1cncc(Cl)c1NC=2c4c(OC(=O)C=2)c(OC3CCCC3)c(OC)cc4;COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)cncc4Cl;COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl","InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24)","","2010-02-28","2011-06-04","8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one",""],["GSK","6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE","C21 H24 Cl N3 O5 S","O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C;C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl","InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1","","2006-04-03","2011-06-04","6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide",""],["Z73","2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine","C15 H18 N4 O","n2c1c(nc(OC)cc1)n3c(c2C)c(nc3CCC)C;CCCc1nc(C)c2n1c3nc(OC)ccc3nc2C;CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C","InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3","","2010-02-28","2011-06-04","2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine",""],["GSL","(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID","C38 H73 N O9","O=C(O)C1OC(OCC(NC(=O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C(O)C(O)C1O;CCCCCCCCCCCCCCC[CH](O)[CH](CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O","InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(40)30(29-47-38-35(44)33(42)34(43)36(48-38)37(45)46)39-32(41)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,33-36,38,40,42-44H,3-29H2,1-2H3,(H,39,41)(H,45,46)/t30-,31+,33-,34+,35+,36-,38-/m0/s1","(2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL","2005-12-30","2021-03-13","(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-D-galactopyranosiduronic acid",""],["Z74","N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide","C34 H42 F2 N4 O5 S","O=S(=O)(c1ccccc1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(CCC)CCC)c3)C)Cc4cc(F)cc(F)c4;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)[S](=O)(=O)c4ccccc4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CN(CCN3)S(=O)(=O)c4ccccc4)O)C","InChI=1S/C34H42F2N4O5S/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)46(44,45)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1","","2010-02-26","2011-06-04","N'-{(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]propan-2-yl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["GSM","L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE","C11 H19 N3 O6 S","O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC;CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1","S-METHYL-GLUTATHIONE","2005-07-15","2020-06-17","L-gamma-glutamyl-S-methyl-L-cysteinylglycine",""],["Z75","N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide","C35 H44 F2 N4 O3","CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)Cc4ccccc4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CN(CCN3)Cc4ccccc4)O)C","InChI=1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1","","2010-02-26","2011-06-04","N1-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(phenylmethyl)piperazin-2-yl]propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide",""],["GSN","2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE","C10 H14 N4 O7 S","O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N;N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([O-])=O)C([O-])=O;C(CC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-])N","InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1","S-NITROSOGLUTATHIONE; S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE","2005-06-28","2020-05-27","(2S)-2-amino-5-({(1R)-2-[(carboxylatomethyl)amino]-1-[(nitrososulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoate",""],["Z76","N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide","C35 H42 F2 N4 O6 S","COC[CH]1CCCN1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5;Cc1cccc(c1)S(=O)(=O)N2CCNC(C2)C(C(Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCCC5COC)C)O","InChI=1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1","","2010-02-26","2011-06-04","N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(3-methylphenyl)sulfonylpiperazin-2-yl]propan-2-yl]-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-5-methyl-benzamide",""],["GSO","L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE","C18 H25 N3 O7 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCC(O)c1ccccc1;N[CH](CCC(=O)N[CH](CSC[CH](O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)9-29-10-14(22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,14+/m0/s1","","2005-10-20","2011-06-04","L-gamma-glutamyl-S-[(2S)-2-hydroxy-2-phenylethyl]-L-cysteinylglycine",""],["Z77","1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea","C22 H25 N3 O3 S","COc1cccc(NC(=S)N(CCO)CC2=Cc3cc(C)c(C)cc3NC2=O)c1;Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC","InChI=1S/C22H25N3O3S/c1-14-9-16-11-17(21(27)24-20(16)10-15(14)2)13-25(7-8-26)22(29)23-18-5-4-6-19(12-18)28-3/h4-6,9-12,26H,7-8,13H2,1-3H3,(H,23,29)(H,24,27)","","2010-02-25","2011-06-04","1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea",""],["GSP","5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE","C10 H16 N5 O13 P3 S","S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine",""],["Z78","3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea","C20 H20 F N3 O3","Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccccc3F;Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F","InChI=1S/C20H20FN3O3/c1-13-6-7-17-14(10-13)11-15(19(26)22-17)12-24(8-9-25)20(27)23-18-5-3-2-4-16(18)21/h2-7,10-11,25H,8-9,12H2,1H3,(H,22,26)(H,23,27)","","2010-02-25","2011-06-04","3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea",""],["GSQ","5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE","C19 H23 Cl N4 O5 S","O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)CC4)C;C[CH](N1CC[CH](N[S](=O)(=O)c2[nH]c3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl","InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1","","2006-08-17","2011-06-04","5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-indole-2-sulfonamide",""],["Z79","N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide","C9 H12 N2 O5 S","COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO;COc1ccc(cc1)S(=O)(=O)NCC(=O)NO","InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)","","2010-02-25","2011-06-04","N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]ethanamide",""],["GSR","2'-DEOXY-N2-(R)STYRENE OXIDE GUANOSINE MONOPHOSPHATE","C18 H22 N5 O8 P","O=C2c3ncn(c3N=C(NC(c1ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O;OC[CH](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4;c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2","InChI=1S/C18H22N5O8P/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(26)22-18)19-9-23(16)14-6-12(25)13(31-14)8-30-32(27,28)29/h1-5,9,11-14,24-25H,6-8H2,(H2,27,28,29)(H2,20,21,22,26)/t11-,12-,13+,14+/m0/s1","","1999-07-08","2019-09-13","2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate)",""],["GSS","2'-DEOXY-N2-(S)STYRENE OXIDE GUANOSINE MONOPHOSPHATE","C18 H22 N5 O8 P","O=C2c3ncn(c3N=C(NC(c1ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O;OC[CH](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4;c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2","InChI=1S/C18H22N5O8P/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(26)22-18)19-9-23(16)14-6-12(25)13(31-14)8-30-32(27,28)29/h1-5,9,11-14,24-25H,6-8H2,(H2,27,28,29)(H2,20,21,22,26)/t11-,12+,13-,14-/m1/s1","","1999-07-08","2019-09-13","2'-deoxy-N-[(1S)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate)",""],["Z7B","(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate","C32 H67 O4 P","O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O;CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O;CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O","InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29-,30-,31-,32-/m0/s1","","2012-12-17","2025-12-12","(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate","2025-12-17"],["Z7D","1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene","C24 H23 F O3 S","c2c(OCc1ccccc1)ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O;Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc4ccccc4)cc3;c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F","InChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2","","2020-03-24","2020-04-24","1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene","2020-04-29"],["GST","GERANYL S-THIOLODIPHOSPHATE","C10 H20 O6 P2 S","O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(C)C)C;CC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C","InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+","S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE","2005-05-11","2021-03-13","S-[(2E)-3,7-dimethylocta-2,6-dien-1-yl] trihydrogen thiodiphosphate",""],["GSU","O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE","C15 H21 N7 O9 S","O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)O)N)O)O)N","InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1","","2005-06-06","2011-06-04","5'-O-(L-alpha-glutamylsulfamoyl)adenosine",""],["Z7F","trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid","C33 H32 Cl F2 N O6 S","c2(OCc1c(cccc1F)Cl)cc3c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O)O)S(c6ccc(cc6)F)(=O)=O;OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(OCc5c(F)cccc5Cl)ccc34)[S](=O)(=O)c6ccc(F)cc6;c1cc(c(c(c1)Cl)COc2ccc3c(c2)CCC4C3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F","InChI=1S/C33H32ClF2NO6S/c34-28-2-1-3-29(36)26(28)19-43-24-11-14-27-22(18-24)8-15-30-33(27,44(41,42)25-12-9-23(35)10-13-25)16-17-37(30)31(38)20-4-6-21(7-5-20)32(39)40/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,39,40)/t20-,21-,30-,33-/m1/s1","","2020-06-05","2020-06-12","trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid","2020-06-17"],["GSV","2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide","C23 H22 Cl F N2 O5 S3","Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(c3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC4;C[S](=O)(=O)c1ccccc1c2ccc(N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4)C3=O)c(F)c2;CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s4)Cl","InChI=1S/C23H22ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,14,19,26H,10-13H2,1H3/t19-/m0/s1","","2007-11-19","2011-06-04","2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide",""],["Z7G","{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol","C17 H18 Cl2 O3","c1(c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC;COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C;CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl","InChI=1S/C17H18Cl2O3/c1-10(2)13-8-12(4-5-16(13)21-3)22-17-14(18)6-11(9-20)7-15(17)19/h4-8,10,20H,9H2,1-3H3","","2020-12-04","2021-01-15","{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol","2021-01-20"],["GSW","D-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINE","C10 H17 N3 O6 S","O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS;N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6+/m1/s1","","2005-12-22","2012-04-10","D-gamma-glutamyl-L-cysteinylglycine",""],["Z7H","N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide","C23 H22 Cl2 N2 O3","c1(cnccc1)CC(Nc3cc(c(Oc2ccc(c(c2)C(C)C)OC)c(c3)Cl)Cl)=O;COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc1C(C)C;CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl","InChI=1S/C23H22Cl2N2O3/c1-14(2)18-12-17(6-7-21(18)29-3)30-23-19(24)10-16(11-20(23)25)27-22(28)9-15-5-4-8-26-13-15/h4-8,10-14H,9H2,1-3H3,(H,27,28)","","2020-12-04","2021-01-15","N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide","2021-01-20"],["Z7I","N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide","C23 H29 Cl2 N3 O5 S","c1(c(ncc(c1)Oc2c(Cl)cc(cc2Cl)NC(=O)CC3CCN(S(C)(=O)=O)CC3)OC)C(C)C;COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CCN(CC3)[S](C)(=O)=O)cc2Cl)cc1C(C)C;CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl","InChI=1S/C23H29Cl2N3O5S/c1-14(2)18-12-17(13-26-23(18)32-3)33-22-19(24)10-16(11-20(22)25)27-21(29)9-15-5-7-28(8-6-15)34(4,30)31/h10-15H,5-9H2,1-4H3,(H,27,29)","","2020-12-04","2021-01-15","N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide","2021-01-20"],["E0S","2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide","C17 H15 N7 O3","CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)C(Nc3nnnn3)=O)N)=O)c4;CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)Nc4[nH]nnn4;CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4","InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26)","","2017-11-20","2018-09-21","2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide","2018-09-26"],["E0T","5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid","C11 H6 Cl2 O3","OC(=O)c1oc(cc1)c2cccc(Cl)c2Cl;c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O","InChI=1S/C11H6Cl2O3/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5H,(H,14,15)","","2018-02-08","2019-08-16","5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid","2019-08-21"],["Z7N","(3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide","C21 H30 Cl F N4 O3","CC1CN(CC(C)N1C)C(=O)N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1;C[CH]1CN(C[CH](C)N1C)C(=O)N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c(c3)F)Cl)CO","InChI=1S/C21H30ClFN4O3/c1-13-8-26(9-14(2)25(13)3)21(30)27-10-15(12-28)6-16(11-27)20(29)24-17-4-5-18(22)19(23)7-17/h4-5,7,13-16,28H,6,8-12H2,1-3H3,(H,24,29)/t13-,14+,15-,16+/m1/s1","","2023-03-07","2024-03-15","(3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide","2024-03-20"],["Z7P","(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C23 H33 N4 O20 P3","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3O)C(O)C2O)C(O)C1O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)C)O","InChI=1S/C23H33N4O20P3/c1-9-16(29)12(11(5-24-9)7-42-48(35,36)37)6-25-15-10(2)44-22(20(33)18(15)31)46-50(40,41)47-49(38,39)43-8-13-17(30)19(32)21(45-13)27-4-3-14(28)26-23(27)34/h3-6,10,13,15,17-22,29-33H,7-8H2,1-2H3,(H,38,39)(H,40,41)(H,26,28,34)(H2,35,36,37)/b25-6+/t10-,13-,15-,17-,18+,19-,20-,21-,22-/m1/s1","","2021-04-12","2021-04-23","(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-04-28"],["E0U","2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid","C19 H17 N3 O4","CNc1cccc2C=C(C(=O)Nc3cccc(CC(O)=O)c3)C(=O)Nc12;CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O","InChI=1S/C19H17N3O4/c1-20-15-7-3-5-12-10-14(19(26)22-17(12)15)18(25)21-13-6-2-4-11(8-13)9-16(23)24/h2-8,10,20H,9H2,1H3,(H,21,25)(H,22,26)(H,23,24)","(3-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}phenyl)acetic acid","2019-09-30","2021-03-13","2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid","2020-05-06"],["Z7S","N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide","C9 H18 N2 O5","OC1C(O)C(NC(C)=O)C(CO)NC1CO;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1CO;CC(=O)NC1C(NC(C(C1O)O)CO)CO","InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6-,7+,8-,9-/m1/s1","","2021-04-12","2021-07-23","N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide","2021-07-28"],["E0V","4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine","C21 H27 N7 O6 S","C5(O)C(C(C(N1CCN(CC1)c4c3c(c2ccc(nc2s3)NC)nc(NC)n4)OC5C(=O)O)O)O;CNc1ccc2c(sc3c(nc(NC)nc23)N4CCN(CC4)[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O)n1;CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)sc2n1","InChI=1S/C21H27N7O6S/c1-22-10-4-3-9-11-16(35-18(9)24-10)17(26-21(23-2)25-11)27-5-7-28(8-6-27)19-14(31)12(29)13(30)15(34-19)20(32)33/h3-4,12-15,19,29-31H,5-8H2,1-2H3,(H,22,24)(H,32,33)(H,23,25,26)/t12-,13-,14+,15-,19+/m0/s1","","2017-11-21","2018-07-20","4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine","2018-07-25"],["E0X","~{N}-[4-(2-azanyl-3-chloranyl-pyridin-4-yl)oxy-3-fluoranyl-phenyl]-5-(4-fluorophenyl)-4-oxidanylidene-1~{H}-pyridine-3-carboxamide","C23 H15 Cl F2 N4 O3","Nc1nccc(Oc2ccc(NC(=O)C3=CNC=C(C3=O)c4ccc(F)cc4)cc2F)c1Cl;c1cc(ccc1C2=CNC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N)F","InChI=1S/C23H15ClF2N4O3/c24-20-19(7-8-29-22(20)27)33-18-6-5-14(9-17(18)26)30-23(32)16-11-28-10-15(21(16)31)12-1-3-13(25)4-2-12/h1-11H,(H2,27,29)(H,28,31)(H,30,32)","","2022-04-16","2022-11-25","~{N}-[4-(2-azanyl-3-chloranyl-pyridin-4-yl)oxy-3-fluoranyl-phenyl]-5-(4-fluorophenyl)-4-oxidanylidene-1~{H}-pyridine-3-carboxamide","2022-11-30"],["Z7T","2-(cyclopentylamino)pyridine-4-carboxamide","C11 H15 N3 O","NC(=O)c1ccnc(NC2CCCC2)c1;NC(=O)c1ccnc(NC2CCCC2)c1;c1cnc(cc1C(=O)N)NC2CCCC2","InChI=1S/C11H15N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)","","2023-06-23","2023-07-07","2-(cyclopentylamino)pyridine-4-carboxamide","2023-07-12"],["Z7Z","biphenyl-4-carboxylic acid","C13 H10 O2","O=C(O)c2ccc(c1ccccc1)cc2;OC(=O)c1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)C(=O)O","InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)","","2012-12-17","2024-09-27","biphenyl-4-carboxylic acid","2021-09-01"],["E0Y","(3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline","C15 H27 N3 O4 S","O=C(O)C1C(CC(N1)C(C(O)C)CO)SC2CN(CC2)/C(=N)C;C[CH](O)[CH](CO)[CH]1C[CH](S[CH]2CCN(C2)C(C)=N)[CH](N1)C(O)=O;CC(C(CO)C1CC(C(N1)C(=O)O)SC2CCN(C2)C(=N)C)O","InChI=1S/C15H27N3O4S/c1-8(20)11(7-19)12-5-13(14(17-12)15(21)22)23-10-3-4-18(6-10)9(2)16/h8,10-14,16-17,19-20H,3-7H2,1-2H3,(H,21,22)/b16-9+/t8-,10-,11-,12-,13+,14+/m1/s1","","2017-11-22","2024-09-27","(3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline","2018-04-11"],["Z80","3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine","C17 H19 Cl N2 S","CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13;CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl","InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","Chlorpromazine","2010-02-24","2022-10-05","3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine",""],["E0Z","2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide","C27 H25 Cl N6 O3","COc1cc(CNC(=O)Cc2cn(CCNc3c4ccccc4nc5cc(Cl)ccc35)nn2)ccc1O;COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl","InChI=1S/C27H25ClN6O3/c1-37-25-12-17(6-9-24(25)35)15-30-26(36)14-19-16-34(33-32-19)11-10-29-27-20-4-2-3-5-22(20)31-23-13-18(28)7-8-21(23)27/h2-9,12-13,16,35H,10-11,14-15H2,1H3,(H,29,31)(H,30,36)","","2018-02-09","2018-03-23","2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide","2018-03-28"],["Z81","(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one","C21 H16 F2 N4 O","CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N;CN1C(=O)C(N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F","InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1","4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID","2010-02-05","2020-06-17","(5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one",""],["E10","(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE","C28 H42 N4 O2","O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4;O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCN[CH]3CCCC4=C3C=CC(=O)N4;C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4","InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1","","2002-07-30","2011-06-04","(5S,5'S)-5,5'-(decane-1,10-diyldiimino)di(5,6,7,8-tetrahydroquinolin-2(1H)-one)",""],["Z82","4-bromobenzoic acid","C7 H5 Br O2","OC(=O)c1ccc(Br)cc1;c1cc(ccc1C(=O)O)Br","InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)","","2010-01-26","2024-09-27","4-bromobenzoic acid",""],["E11","N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine","C27 H38 N6 O2","O(c4cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)NCCCN(C)C)cc4OC)C;COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC;CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC","InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31)","","2010-04-23","2011-06-04","N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine",""],["E12","(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE","C30 H46 N4 O2","O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4;O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCCCN[CH]3CCCC4=C3C=CC(=O)N4;C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4","InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1","","2002-07-30","2011-06-04","(5S,5'S)-5,5'-(dodecane-1,12-diyldiimino)di(5,6,7,8-tetrahydroquinolin-2(1H)-one)",""],["Z83","(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid","C19 H21 N5 O3 S","CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(CC(O)=O)cc3;CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3","InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)","2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid","2010-01-24","2020-06-17","2-[4-[3-tert-butyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]ethanoic acid",""],["E13","N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide","C37 H53 N5 O7 S","O=C(NCC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)NC(=O)OC)C(C)(C)C)Cc2ccccc2)CSC3(C)C;COC(=O)N[CH](C(=O)N[CH](C(=O)N[CH](Cc1ccccc1)[CH](O)C(=O)N2CSC(C)(C)[CH]2C(=O)NCC(C)(C)C)C(C)(C)C)c3ccccc3;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)C(c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C","InChI=1S/C37H53N5O7S/c1-35(2,3)21-38-32(46)29-37(7,8)50-22-42(29)33(47)27(43)25(20-23-16-12-10-13-17-23)39-31(45)28(36(4,5)6)41-30(44)26(40-34(48)49-9)24-18-14-11-15-19-24/h10-19,25-29,43H,20-22H2,1-9H3,(H,38,46)(H,39,45)(H,40,48)(H,41,44)/t25-,26-,27-,28+,29+/m0/s1","KNI-10562","2010-02-05","2021-03-01","N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide",""],["Z84","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea","C26 H30 N6 O2 S","Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4ccncc4)n3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4","InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)","1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea","2010-01-24","2021-03-01","1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl]urea",""],["E14","(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but\nanoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide","C34 H49 N5 O5 S","O=C(NCC(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C;CC(C)CNC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)[CH](N)c3ccccc3)C(C)(C)C;CC(C)CNC(=O)C1C(SCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)C(c3ccccc3)N)O)(C)C","InChI=1S/C34H49N5O5S/c1-21(2)19-36-31(43)28-34(6,7)45-20-39(28)32(44)26(40)24(18-22-14-10-8-11-15-22)37-30(42)27(33(3,4)5)38-29(41)25(35)23-16-12-9-13-17-23/h8-17,21,24-28,40H,18-20,35H2,1-7H3,(H,36,43)(H,37,42)(H,38,41)/t24-,25-,26-,27+,28+/m0/s1","KNI-10673","2010-02-05","2020-06-17","N~2~-[(2S)-2-amino-2-phenylacetyl]-N-[(2S,3S)-4-{(4R)-5,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-L-valinamide",""],["Z85","1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","C27 H31 N5 O2 S","Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4","InChI=1S/C27H31N5O2S/c1-19-10-12-22(13-11-19)32-24(16-23(31-32)27(2,3)4)29-25(33)30-26-28-21(18-35-26)14-15-34-17-20-8-6-5-7-9-20/h5-13,16,18H,14-15,17H2,1-4H3,(H2,28,29,30,33)","1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea","2010-01-24","2021-03-01","1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea",""],["Z86","(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid","C28 H31 N5 O4 S","CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n2)n(n1)c4ccc(CC(O)=O)cc4;CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4","InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-9-19(10-12-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)13-14-37-17-20-7-5-4-6-8-20/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H2,29,30,31,36)","2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid","2010-01-24","2021-03-01","2-[4-[3-tert-butyl-5-[[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]carbamoylamino]pyrazol-1-yl]phenyl]ethanoic acid",""],["E15","(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but\nanoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide","C35 H51 N5 O5 S","O=C(NC(C)C(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C;CC(C)[CH](C)NC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)[CH](N)c3ccccc3)C(C)(C)C;CC(C)C(C)NC(=O)C1C(SCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)C(c3ccccc3)N)O)(C)C","InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1","KNI-10681","2010-02-05","2020-06-17","N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-5,5-dimethyl-4-{[(2R)-3-methylbutan-2-yl]carbamoyl}-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide",""],["E16","(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but\nanoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C36 H53 N5 O5 S","O=C(NC(C)C(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C;C[CH](NC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)[CH](N)c3ccccc3)C(C)(C)C)C(C)(C)C;CC(C(C)(C)C)NC(=O)C1C(SCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)C(c3ccccc3)N)O)(C)C","InChI=1S/C36H53N5O5S/c1-22(34(2,3)4)38-32(45)29-36(8,9)47-21-41(29)33(46)27(42)25(20-23-16-12-10-13-17-23)39-31(44)28(35(5,6)7)40-30(43)26(37)24-18-14-11-15-19-24/h10-19,22,25-29,42H,20-21,37H2,1-9H3,(H,38,45)(H,39,44)(H,40,43)/t22-,25+,26+,27+,28-,29-/m1/s1","KNI-10683","2010-02-05","2020-06-17","N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide",""],["Z87","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea","C18 H21 N5 O S","Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3","InChI=1S/C18H21N5OS/c1-12-5-7-13(8-6-12)23-15(11-14(22-23)18(2,3)4)20-16(24)21-17-19-9-10-25-17/h5-11H,1-4H3,(H2,19,20,21,24)","1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea","2010-01-24","2020-06-17","1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(1,3-thiazol-2-yl)urea",""],["Z88","N-[(4-bromophenyl)sulfonyl]acetamide","C8 H8 Br N O3 S","CC(=O)N[S](=O)(=O)c1ccc(Br)cc1;CC(=O)NS(=O)(=O)c1ccc(cc1)Br","InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)","","2010-01-24","2011-06-04","N-(4-bromophenyl)sulfonylethanamide",""],["E17","N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide","C42 H62 N6 O7 S","O=C(NC(C)C(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)NC(=O)CN2CCOCC2)C(C)(C)C)Cc3ccccc3)CSC4(C)C;C[CH](NC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)[CH](NC(=O)CN3CCOCC3)c4ccccc4)C(C)(C)C)C(C)(C)C;CC(C(C)(C)C)NC(=O)C1C(SCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)C(c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C","InChI=1S/C42H62N6O7S/c1-27(40(2,3)4)43-38(53)35-42(8,9)56-26-48(35)39(54)33(50)30(24-28-16-12-10-13-17-28)44-37(52)34(41(5,6)7)46-36(51)32(29-18-14-11-15-19-29)45-31(49)25-47-20-22-55-23-21-47/h10-19,27,30,32-35,50H,20-26H2,1-9H3,(H,43,53)(H,44,52)(H,45,49)(H,46,51)/t27-,30+,32+,33+,34-,35-/m1/s1","KNI-10729","2010-02-05","2021-03-01","N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide",""],["Z89","(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid","C15 H9 Br N2 O6 S2","OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O;c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)C(=O)N2","InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1","N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE","2010-01-24","2020-06-17","(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid",""],["E18","2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE","C12 H18 N2 O4 S2","O=S(=O)(O)ON=C(/SCCN(C)C)Cc1ccccc1;CN(C)CCSC(Cc1ccccc1)=NO[S](O)(=O)=O;CN(C)CCSC(=NOS(=O)(=O)O)Cc1ccccc1","InChI=1S/C12H18N2O4S2/c1-14(2)8-9-19-12(13-18-20(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16,17)/b13-12-","","2009-11-09","2011-06-04","2-(dimethylamino)ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate",""],["Z8A","N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide","C44 H89 N O4","O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1","","2012-12-17","2023-10-06","N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide","2023-10-11"],["E1B","5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid","C20 H12 N4 O2","O=C(O)c3cc2nc(c1ncncc1c2cc3)Nc4cc(C#C)ccc4;OC(=O)c1ccc2c(c1)nc(Nc3cccc(c3)C#C)c4ncncc24;C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O","InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)","","2010-10-27","2011-09-02","5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid",""],["E1C","2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid","C10 H16 N2 O4 S","CCc1n(C)c(CC)c(c1C(O)=O)[S](N)(=O)=O;CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O","InChI=1S/C10H16N2O4S/c1-4-6-8(10(13)14)9(17(11,15)16)7(5-2)12(6)3/h4-5H2,1-3H3,(H,13,14)(H2,11,15,16)","","2019-10-01","2020-02-14","2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid","2020-02-19"],["Z8B","5'-azido-8-bromo-5'-deoxyadenosine","C10 H11 Br N8 O3","Brc2nc1c(ncnc1n2C3OC(C(O)C3O)CN=[N+]=[N-])N;Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+]=[N-])O)O)N","InChI=1S/C10H11BrN8O3/c11-10-17-4-7(12)14-2-15-8(4)19(10)9-6(21)5(20)3(22-9)1-16-18-13/h2-3,5-6,9,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1","","2011-03-07","2011-08-19","5'-azido-8-bromo-5'-deoxyadenosine",""],["E1D","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one","C15 H15 F2 N5 O2","c13N(C(=O)C(C)N(c1nc(Nc2cc(c(c(F)c2)O)F)nc3)C)C;C[CH]1N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C1=O;CC1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C","InChI=1S/C15H15F2N5O2/c1-7-14(24)22(3)11-6-18-15(20-13(11)21(7)2)19-8-4-9(16)12(23)10(17)5-8/h4-7,23H,1-3H3,(H,18,19,20)/t7-/m1/s1","","2017-11-22","2017-12-01","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one","2017-12-06"],["Z8G","N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide","C26 H25 F8 N O4 S","c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(cc4)F)=O;CC(C)(O)C(=O)N[CH]1CC[C]2([CH]1CCc3cc(ccc23)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4;CC(C)(C(=O)NC1CCC2(C1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O","InChI=1S/C26H25F8NO4S/c1-22(2,37)21(36)35-20-11-12-23(40(38,39)17-7-5-16(27)6-8-17)18-10-4-15(13-14(18)3-9-19(20)23)24(28,25(29,30)31)26(32,33)34/h4-8,10,13,19-20,37H,3,9,11-12H2,1-2H3,(H,35,36)/t19-,20+,23+/m0/s1","","2020-11-17","2021-02-19","N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide","2021-02-24"],["E1E","2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C14 H14 Cl N3 O3 S2","O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2Cl;Cc1cc(C)nc(SCC(=O)c2ccc(c(Cl)c2)[S](N)(=O)=O)n1;Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C","InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-13(11(15)6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21)","","2013-05-23","2013-11-01","2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","2013-11-06"],["Z8H","beta-L-gulopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6-/m0/s1","beta-L-gulose; L-gulose; gulose","2012-12-18","2020-07-17","beta-L-gulopyranose","2020-07-29"],["E1F","2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide","C12 H10 Cl N3 O3 S2","O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2Cl;N[S](=O)(=O)c1ccc(cc1Cl)C(=O)CSc2ncccn2;c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N","InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)","","2013-05-27","2013-11-01","2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide","2013-11-06"],["Z8I","(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one","C30 H29 F9 N2 O5 S","C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O;CC(C)(O)CN1[CH](C[CH](F)C1=O)C(=O)N2CC[C]3([CH]2CCc4cc(ccc34)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5;CC(C)(CN1C(CC(C1=O)F)C(=O)N2CCC3(C2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O","InChI=1S/C30H29F9N2O5S/c1-26(2,44)15-41-22(14-21(32)24(41)42)25(43)40-12-11-27(47(45,46)19-7-5-18(31)6-8-19)20-9-4-17(13-16(20)3-10-23(27)40)28(33,29(34,35)36)30(37,38)39/h4-9,13,21-23,44H,3,10-12,14-15H2,1-2H3/t21-,22+,23-,27-/m1/s1","","2020-08-31","2020-11-20","(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one","2020-11-25"],["Z8O","4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one","C24 H19 N3 O2","O=C(Cc1ccc(cc1)C1=NNC(=O)c2ccccc21)N1CCc2ccccc21;O=C(Cc1ccc(cc1)C2=NNC(=O)c3ccccc23)N4CCc5ccccc45;c1ccc2c(c1)CCN2C(=O)Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5","InChI=1S/C24H19N3O2/c28-22(27-14-13-17-5-1-4-8-21(17)27)15-16-9-11-18(12-10-16)23-19-6-2-3-7-20(19)24(29)26-25-23/h1-12H,13-15H2,(H,26,29)","","2023-03-07","2023-05-05","4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one","2023-05-10"],["E1G","3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide","C12 H11 N3 O3 S2","O=S(=O)(N)c2cccc(C(=O)CSc1ncccn1)c2;N[S](=O)(=O)c1cccc(c1)C(=O)CSc2ncccn2;c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2","InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18)","","2013-05-28","2013-11-01","3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide","2013-11-06"],["E1H","ETHANIMINE","C2 H5 N","[N@H]=CC;CC=N;[H]N=CC","InChI=1S/C2H5N/c1-2-3/h2-3H,1H3/b3-2-","","2006-02-24","2024-09-27","(1Z)-ethanimine",""],["Z8R","3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid","C15 H15 N O4 S","C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O;CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O","InChI=1S/C15H15NO4S/c1-21(19,20)16-10-11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)","","2017-07-27","2018-01-05","3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid","2018-01-10"],["E1I","N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","C30 H28 Cl N9 O4","N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12;Cn1cc(cn1)C2=Nc3n(CC(=O)Nc4cc(ncc4Cl)N5CCOCC5)cc(c6cc(C)c(O)c(c6)C#N)c3C(=O)N2C;Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C(=N3)c4cnn(c4)C)C)CC(=O)Nc5cc(ncc5Cl)N6CCOCC6","InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41)","","2021-12-01","2022-12-09","N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","2022-12-14"],["Z8T","beta-L-glucopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1","beta-L-glucose; L-glucose; glucose","2012-12-17","2020-07-17","beta-L-glucopyranose","2020-07-29"],["E1J","N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide","C21 H30 N6 O3","c21c(cc(c(c1)OCCN)OC)c(NCCCNC([C@H]=C)=O)nc(n2)N3CCCC3;COc1cc2c(NCCCNC(=O)C=C)nc(nc2cc1OCCN)N3CCCC3;COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3","InChI=1S/C21H30N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h3,13-14H,1,4-12,22H2,2H3,(H,23,28)(H,24,25,26)","","2017-11-22","2024-09-27","N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide","2019-05-01"],["Z8V","N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide","C9 H18 N2 O5","OC1C(O)C(NC(C)=O)C(CO)NC1CO;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1CO;CC(=O)NC1C(NC(C(C1O)O)CO)CO","InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6+,7-,8+,9+/m0/s1","","2021-04-12","2021-07-23","N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide","2021-07-28"],["Z8Z","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide","C37 H48 N6 O5 S","O=C(OCc1ocnc1)NC(Cc2ccccc2)CCC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4;CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ocnc3)Cc4ccccc4;CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4","InChI=1S/C37H48N6O5S/c1-25(2)33(42-36(45)43(5)21-31-23-49-35(40-31)26(3)4)34(44)39-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)41-37(46)47-22-32-20-38-24-48-32/h6-15,20,23-26,29-30,33H,16-19,21-22H2,1-5H3,(H,39,44)(H,41,46)(H,42,45)/t29-,30-,33+/m1/s1","","2012-12-07","2013-04-19","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide","2013-04-24"],["E1K","6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine","C14 H16 Cl N2","C[n+]1c2CCCCc2c(N)c3ccc(Cl)cc13;C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl","InChI=1S/C14H15ClN2/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)17/h6-8,16H,2-5H2,1H3/p+1","","2018-02-09","2018-03-23","6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine","2018-03-28"],["Z90","4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid","C36 H39 N O5","OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O;c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O","InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)","4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)","2010-01-23","2020-06-17","4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid",""],["E1L","N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide","C19 H16 F3 N3 O S","FC(F)(F)Oc1ccc(NC(=S)N2CCc3c(C2)[nH]c4ccccc34)cc1;c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F","InChI=1S/C19H16F3N3OS/c20-19(21,22)26-13-7-5-12(6-8-13)23-18(27)25-10-9-15-14-3-1-2-4-16(14)24-17(15)11-25/h1-8,24H,9-11H2,(H,23,27)","","2019-10-01","2020-09-25","~{N}-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide","2020-09-30"],["E1M","(2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid","C23 H20 Cl2 N2 O3","c4(C(C)Oc1cc2c(cc1)ncc(c2C3CC3)[C@H]=CC(O)=O)c(c(ccc4Cl)N)Cl;C[CH](Oc1ccc2ncc(C=CC(O)=O)c(C3CC3)c2c1)c4c(Cl)ccc(N)c4Cl;CC(c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)C=CC(=O)O)C4CC4","InChI=1S/C23H20Cl2N2O3/c1-12(21-17(24)6-7-18(26)23(21)25)30-15-5-8-19-16(10-15)22(13-2-3-13)14(11-27-19)4-9-20(28)29/h4-13H,2-3,26H2,1H3,(H,28,29)/b9-4+/t12-/m0/s1","","2017-11-27","2018-04-27","(2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid","2018-05-02"],["Z92","(4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one","C17 H15 Cl N4 O3","COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3;COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(cc3)Cl","InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23)","(4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one","2010-01-21","2020-06-17","(4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one",""],["E1N","12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium","C19 H22 Cl N2","CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2;CCC1=CC2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)C(C2)C1","InChI=1S/C19H21ClN2/c1-3-11-6-12-8-13(7-11)18-17(9-12)22(2)16-10-14(20)4-5-15(16)19(18)21/h4-6,10,12-13,21H,3,7-9H2,1-2H3/p+1/t12-,13+/m0/s1","","2018-02-09","2018-03-23","","2018-03-28"],["Z93","2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium","C24 H19 N4 O4","COc1ccc2C=[N+](C[C]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1;COc1ccc2c(c1)C(=O)[N+](=C2)CC3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5","InChI=1S/C24H18N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-13H,14H2,1H3,(H-,26,27,30,31)/p+1/t24-/m0/s1","N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE","2010-01-16","2020-06-17","(5R)-5-[(6-methoxy-1-oxo-isoindol-2-ium-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione",""],["Z94","N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide","C11 H11 N3 O3","CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O;CC(=O)Nc1ccc(cc1)C2C(=O)NC(=O)N2","InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1","2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID","2009-12-14","2020-06-17","N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide",""],["E1O","(2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid","C11 H15 N2 O7 P S","Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CS)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CS)C(=O)O)O","InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2-3,9,14,22H,4-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-3+/t9-/m0/s1","","2019-10-02","2024-09-27","(2~{R})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid","2020-09-23"],["Z96","tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate","C28 H32 Cl N5 O3","Cn1cncc1[CH](O)C2=Cc3cccnc3[CH](N4CCN(CC4)C(=O)OC(C)(C)C)c5ccc(Cl)cc25;CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3C(=Cc4c2nccc4)C(c5cncn5C)O)Cl","InChI=1S/C28H32ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25-26,35H,10-13H2,1-4H3/t25-,26+/m0/s1","1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE","2009-12-12","2021-03-13","",""],["E1P","ETHYL OXO(PIPERIDIN-1-YL)ACETATE","C9 H15 N O3","O=C(C(=O)OCC)N1CCCCC1;CCOC(=O)C(=O)N1CCCCC1;CCOC(=O)C(=O)N1CCCCC1","InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3","","2004-09-24","2011-06-04","ethyl oxo(piperidin-1-yl)acetate",""],["E1R","(2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid","C13 H17 N2 O9 P","CC(=O)OC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(COC(=O)C)C(=O)O)O","InChI=1S/C13H17N2O9P/c1-7-12(17)10(9(3-14-7)5-24-25(20,21)22)4-15-11(13(18)19)6-23-8(2)16/h3-4,11,17H,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-4+/t11-/m0/s1","","2019-10-02","2020-09-18","(2~{S})-3-acetyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid","2020-09-23"],["Z97","(E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine","C13 H20 N3 O7 P","Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCC(C(=O)O)N)O","InChI=1S/C13H20N3O7P/c1-8-12(17)10(6-15-4-2-3-11(14)13(18)19)9(5-16-8)7-23-24(20,21)22/h5-6,11,17H,2-4,7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-6+/t11-/m0/s1","","2009-12-05","2011-06-04","(2S)-2-azanyl-5-[(E)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]pentanoic acid",""],["E1S","N~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamine","C19 H22 N2 O4 S","O=C(O)CCC(C(=O)N)NC(=O)CCc2ccc(c1sc(cc1)C)cc2;Cc1sc(cc1)c2ccc(CCC(=O)N[CH](CCC(O)=O)C(N)=O)cc2;Cc1ccc(s1)c2ccc(cc2)CCC(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C19H22N2O4S/c1-12-2-9-16(26-12)14-6-3-13(4-7-14)5-10-17(22)21-15(19(20)25)8-11-18(23)24/h2-4,6-7,9,15H,5,8,10-11H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/t15-/m0/s1","","2011-09-30","2012-06-15","N~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamine",""],["Z98","(2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid","C12 H18 N3 O7 P","Cc1ncc(CO[P](O)(O)=O)c(C=NCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCC(C(=O)O)N)O","InChI=1S/C12H18N3O7P/c1-7-11(16)9(5-14-3-2-10(13)12(17)18)8(4-15-7)6-22-23(19,20)21/h4-5,10,16H,2-3,6,13H2,1H3,(H,17,18)(H2,19,20,21)/b14-5-/t10-/m0/s1","","2009-12-05","2011-06-04","(2S)-2-azanyl-4-[(Z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid",""],["E1T","1,8-naphthyridine-2-carboxylic acid","C9 H6 N2 O2","OC(=O)c1ccc2cccnc2n1;c1cc2ccc(nc2nc1)C(=O)O","InChI=1S/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13)","","2018-02-09","2018-06-01","1,8-naphthyridine-2-carboxylic acid","2018-06-06"],["Z99","2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine","C20 H19 N O5","N[C](CC1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O;c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)(C(=O)O)N","InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1","(1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid","2009-12-01","2021-03-13","(1S,2S)-2-[(2S)-2-azanyl-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid",""],["Z9A","methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate","C18 H24 Br N3 O5","Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1;COC(=O)[CH](C)NC(=O)[CH](CC(N)=O)NC(=O)CCCc1ccc(Br)cc1;CC(C(=O)OC)NC(=O)C(CC(=O)N)NC(=O)CCCc1ccc(cc1)Br","InChI=1S/C18H24BrN3O5/c1-11(18(26)27-2)21-17(25)14(10-15(20)23)22-16(24)5-3-4-12-6-8-13(19)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t11-,14+/m0/s1","","2021-04-13","2022-09-23","methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate","2022-09-28"],["E1U","(2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid","C11 H16 N2 O11 P2","Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO[P](O)(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(COP(=O)(O)O)C(=O)O)O","InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1","","2019-10-02","2020-09-18","(2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid","2020-09-23"],["Z9D","4-deoxy-beta-D-xylo-hexopyranose","C6 H12 O5","OC1CC(OC(O)C1O)CO;OC[CH]1C[CH](O)[CH](O)[CH](O)O1;C1C(OC(C(C1O)O)O)CO","InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6+/m0/s1","","2012-12-17","2020-07-17","4-deoxy-beta-D-xylo-hexopyranose","2020-07-29"],["E1V","ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate","C23 H26 N2 O2","CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4;CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4","InChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3","","2021-12-23","2022-12-23","ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate","2022-12-28"],["Z9E","1-thio-alpha-D-glucopyranose","C6 H12 O5 S","OC1C(O)C(OC(S)C1O)CO;OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m1/s1","","2012-12-18","2020-07-17","1-thio-alpha-D-glucopyranose","2020-07-29"],["E1W","6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one","C12 H12 Cl N5 O2","Cc1cc2OCC(=O)N(Cc3[nH]nnn3)c2c(C)c1Cl;Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3","InChI=1S/C12H12ClN5O2/c1-6-3-8-12(7(2)11(6)13)18(10(19)5-20-8)4-9-14-16-17-15-9/h3H,4-5H2,1-2H3,(H,14,15,16,17)","","2018-02-11","2019-08-16","6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one","2019-08-21"],["Z9G","N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine","C14 H17 Br N2 O4","Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)cc1;NC(=O)C[CH](NC(=O)CCCc1ccc(Br)cc1)C(O)=O;c1cc(ccc1CCCC(=O)NC(CC(=O)N)C(=O)O)Br","InChI=1S/C14H17BrN2O4/c15-10-6-4-9(5-7-10)2-1-3-13(19)17-11(14(20)21)8-12(16)18/h4-7,11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)/t11-/m1/s1","","2021-04-13","2022-09-23","N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine","2022-09-28"],["E1X","PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER","C12 H17 N4 O8 P","O=C3Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3CC;CCN1C(=O)Nc2n(cnc2C1=O)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCN1C(=O)c2c(n(cn2)C3CC(C(O3)COP(=O)(O)O)O)NC1=O","InChI=1S/C12H17N4O8P/c1-2-15-11(18)9-10(14-12(15)19)16(5-13-9)8-3-6(17)7(24-8)4-23-25(20,21)22/h5-8,17H,2-4H2,1H3,(H,14,19)(H2,20,21,22)/t6-,7+,8+/m0/s1","N1-ETHYL-2'-DEOXYXANTHOSINE 5'-MONOPHOSPHATE","2004-05-06","2024-09-27","2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate)",""],["E1Z","S-Trichostatin A","C17 H22 N2 O3","C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C;CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C","InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1","","2016-03-18","2016-07-22","(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide","2016-07-27"],["Z9H","3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose","C8 H16 O12 S2","O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1OC;CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](O[S](O)(=O)=O)[CH]1OC;COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O)(=O)O","InChI=1S/C8H16O12S2/c1-16-5-4(3-18-21(10,11)12)19-8(9)7(6(5)17-2)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1","","2012-12-17","2020-07-17","3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose","2020-07-29"],["Z9I","1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine","C6 H14 N2 O2 S","NCC1CCCN1S(=O)(C)=O;C[S](=O)(=O)N1CCC[CH]1CN;CS(=O)(=O)N1CCCC1CN","InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1","","2023-06-23","2023-07-07","1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine","2023-07-12"],["E20","1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE","C24 H29 N O3","O=C2c1cc(OC)c(OC)cc1CC2CC4CCN(Cc3ccccc3)CC4;COc1cc2C[CH](CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC;COc1cc2c(cc1OC)C(=O)C(C2)CC3CCN(CC3)Cc4ccccc4","InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1","E2020","1999-07-08","2020-06-17","(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one",""],["Z9J","3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid","C13 H19 N O2 S2","NCCSCc1cccc(CSCCC(O)=O)c1;c1cc(cc(c1)CSCCN)CSCCC(=O)O","InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16)","3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid","2024-01-22","2024-09-27","3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid","2024-04-24"],["E21","21-hydroxy-oligomycin","C45 H74 O12","CC1C3(OC2C(C1OC(=O)C=CC(C)C(O)C(C)C(=O)C(C(O)C(C)C(=O)C(C(O)C(CC=CC=CC(CC)C(O)C2)C)(C)O)C)C)OC(C(CC3)C)CC(C)O;CC[CH]1C=CC=CC[CH](C)[CH](O)[C](C)(O)C(=O)[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C=CC(=O)O[CH]2[CH](C)[CH](C[CH]1O)O[C]3(CC[CH](C)[CH](C[CH](C)O)O3)[CH]2C;CCC1C=CC=CCC(C(C(C(=O)C(C(C(C(=O)C(C(C(C=CC(=O)OC2C(C(CC1O)OC3(C2C)CCC(C(O3)CC(C)O)C)C)C)O)C)C)O)C)(C)O)O)C","InChI=1S/C45H74O12/c1-12-33-17-15-13-14-16-26(4)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)25(3)18-19-37(48)55-41-28(6)36(23-34(33)47)57-45(32(41)10)21-20-24(2)35(56-45)22-27(5)46/h13-15,17-19,24-36,38,40-42,46-47,49,51-52,54H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34+,35-,36-,38+,40+,41+,42-,44+,45+/m0/s1","","2015-05-29","2015-08-21","(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,23R,25S,27R,28S,29R)-22-ethyl-7,11,14,15,23-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione","2015-08-26"],["E22","(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide","C27 H30 N4 O4","O[CH](C#N)[CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3;c1ccc(cc1)CC(C(=O)NC(CC2CCCNC2=O)C(C#N)O)NC(=O)C=Cc3ccccc3","InChI=1S/C27H30N4O4/c28-18-24(32)22(17-21-12-7-15-29-26(21)34)31-27(35)23(16-20-10-5-2-6-11-20)30-25(33)14-13-19-8-3-1-4-9-19/h1-6,8-11,13-14,21-24,32H,7,12,15-17H2,(H,29,34)(H,30,33)(H,31,35)/b14-13+/t21-,22-,23-,24-/m0/s1","","2015-06-03","2015-11-20","(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide","2015-11-25"],["Z9K","3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid","C7 H12 O10 S","O=C(O)C1OC(O)C(OS(=O)(=O)O)C(OC)C1O;CO[CH]1[CH](O)[CH](O[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;COC1C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O","InChI=1S/C7H12O10S/c1-15-3-2(8)4(6(9)10)16-7(11)5(3)17-18(12,13)14/h2-5,7-8,11H,1H3,(H,9,10)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1","","2012-12-18","2020-07-17","3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid","2020-07-29"],["Z9L","methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside","C7 H14 O15 S3","O=S(=O)(O)OCC1OC(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1O;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C7H14O15S3/c1-18-7-6(22-25(15,16)17)5(21-24(12,13)14)4(8)3(20-7)2-19-23(9,10)11/h3-8H,2H2,1H3,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t3-,4-,5+,6-,7+/m1/s1","","2012-12-18","2020-07-17","methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside","2020-07-29"],["E23","N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide","C19 H20 F3 N O","O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F;CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1;CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F","InChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)","","2015-04-08","2015-07-31","N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide","2015-08-05"],["Z9M","2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose","C6 H14 N O8 P","O=P(O)(O)OC1C(OC(O)C(N)C1O)CO;N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O","InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1","4-O-phosphono-beta-D-glucosamine; 2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;\n2-amino-2-deoxy-4-O-phosphono-D-glucose; 2-amino-2-deoxy-4-O-phosphono-glucose","2012-12-18","2020-07-17","2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose","2015-06-24"],["E24","N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide","C15 H10 Cl2 F3 N O","Clc1c(ccc(c1)Cl)CNC(=O)c2c(cccc2)C(F)(F)F;FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl;c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F","InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22)","","2015-04-08","2015-07-31","N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide","2015-08-05"],["Z9N","alpha-D-fructofuranose","C6 H12 O6","OC1C(O)C(OC1(O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1","alpha-D-fructose; D-fructose; fructose","2012-12-17","2020-07-17","alpha-D-fructofuranose","2019-10-30"],["E26","(4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione","C21 H27 N O6","CCNc1cc(O)c2C(=O)O[CH](C)[CH](C)C=CC(=O)[CH](O)[CH](O)CC=Cc2c1;CCNc1cc2c(c(c1)O)C(=O)OC(C(C=CC(=O)C(C(CC=C2)O)O)C)C","InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1","","2018-10-30","2019-09-06","(4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione","2019-09-11"],["Z9W","2-acetamido-2-deoxy-beta-D-quinovopyranose","C8 H15 N O5","O=C(NC1C(O)C(O)C(OC1O)C)C;C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)NC(=O)C)O)O","InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8-/m1/s1","2-acetamido-2,6-deoxy-beta-D-glucopyranose; 6-deoxy-N-acetyl-beta-D-glucosamine; N-acetyl-beta-D-quinosamine;\n2-acetamido-2-deoxy-beta-D-quinovose; 2-acetamido-2-deoxy-D-quinovose; 2-acetamido-2-deoxy-quinovose;\n2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose","2012-12-18","2020-07-17","2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose","2020-07-29"],["E27","2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide","C18 H13 Cl N4 O3 S2","O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc4nc3cnc2ccccc2c3n4;N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3c(cnc4ccccc34)n2;c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl","InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)","","2010-05-12","2011-06-04","2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide",""],["Z9Z","pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C39 H50 N6 O4 S","O=C(OCc1cccnc1)NC(Cc2ccccc2)CCC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4;CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4;CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4","InChI=1S/C39H50N6O4S/c1-27(2)35(44-38(47)45(5)24-34-26-50-37(42-34)28(3)4)36(46)41-32(21-29-13-8-6-9-14-29)18-19-33(22-30-15-10-7-11-16-30)43-39(48)49-25-31-17-12-20-40-23-31/h6-17,20,23,26-28,32-33,35H,18-19,21-22,24-25H2,1-5H3,(H,41,46)(H,43,48)(H,44,47)/t32-,33+,35+/m0/s1","","2012-12-07","2013-04-19","pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2013-04-24"],["E28","4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide","C25 H22 F3 N5 O2","FC(F)(F)c1c(ccc(c1)c2cnnc2c3cc(nc3)C(=O)NCc5cc4c(OCC4)cc5)CN;NCc1ccc(cc1C(F)(F)F)c2cn[nH]c2c3c[nH]c(c3)C(=O)NCc4ccc5OCCc5c4;c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2","InChI=1S/C25H22F3N5O2/c26-25(27,28)20-8-15(2-3-17(20)10-29)19-13-32-33-23(19)18-9-21(30-12-18)24(34)31-11-14-1-4-22-16(7-14)5-6-35-22/h1-4,7-9,12-13,30H,5-6,10-11,29H2,(H,31,34)(H,32,33)","","2012-08-10","2012-09-14","4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide","2012-09-14"],["ZA2","[(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON","C8 H10 B Cl N O4","O[B-](O)(O)CNC(=O)c1ccccc1Cl;[B-](CNC(=O)c1ccccc1Cl)(O)(O)O","InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1","2-CHLOROBENZAMIDOMETHYLBORONIC ACID","2010-12-15","2024-09-27","[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron",""],["E29","(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoic acid","C10 H7 Cl N4 O2","O=C(O)C=Cc1cc(Cl)ccc1n2nnnc2;OC(=O)C=Cc1cc(Cl)ccc1n2cnnn2;c1cc(c(cc1Cl)C=CC(=O)O)n2cnnn2","InChI=1S/C10H7ClN4O2/c11-8-2-3-9(15-6-12-13-14-15)7(5-8)1-4-10(16)17/h1-6H,(H,16,17)/b4-1+","","2014-02-26","2015-02-06","(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoic acid","2015-02-11"],["E2A","~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","C17 H20 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2;CC1(CCC(=O)C(C1)C(=O)OCc2ccccc2)C(=O)OC","InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m1/s1","","2023-07-18","2025-12-15","~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","2024-07-24"],["ZA3","TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON","C8 H10 B N2 O6","O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O;[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O","InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1","","2010-12-15","2024-09-27","trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron",""],["ZA4","[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON","C8 H10 B F N O4","O[B-](O)(O)CNC(=O)c1ccccc1F;[B-](CNC(=O)c1ccccc1F)(O)(O)O","InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1","","2010-12-15","2024-09-27","[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron",""],["E2B","3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide","C26 H31 N O3","O=C(N)c1cc(ccc1)CC5CC4C3C(c2ccc(O)cc2CC3)CCC4(C)C5O;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](Cc5cccc(c5)C(N)=O)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Cc5cccc(c5)C(=O)N)O","InChI=1S/C26H31NO3/c1-26-10-9-21-20-8-6-19(28)13-16(20)5-7-22(21)23(26)14-18(24(26)29)12-15-3-2-4-17(11-15)25(27)30/h2-4,6,8,11,13,18,21-24,28-29H,5,7,9-10,12,14H2,1H3,(H2,27,30)/t18-,21+,22+,23-,24-,26-/m0/s1","","2008-05-01","2011-06-04","3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide",""],["E2C","5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine","C21 H27 Cl N2 O","CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13;CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl","InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3","","2019-10-02","2020-05-22","5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine","2020-05-27"],["ZA5","[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON","C8 H9 B F2 N O4","O[B-](O)(O)CNC(=O)c1c(F)cccc1F;[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O","InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1","","2010-12-15","2024-09-27","[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron",""],["ZA6","(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine","C23 H23 N3 O S","CC(N(C)Cc1nc(no1)C(c1ccccc1)c1ccccc1)c1cccs1;C[CH](N(C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4;CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4ccccc4","InChI=1S/C23H23N3OS/c1-17(20-14-9-15-28-20)26(2)16-21-24-23(25-27-21)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22H,16H2,1-2H3/t17-/m0/s1","","2023-03-07","2023-09-29","(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine","2023-10-04"],["E2E","3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide","C26 H23 Cl2 F N6 O4","NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21;C[CH]1COCCN1c2cc(NC(=O)Cn3cc(c4cc(Cl)c(O)c(c4)C(N)=O)c5c(F)ccnc35)c(Cl)cn2;CC1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3nccc4F)c5cc(c(c(c5)Cl)O)C(=O)N","InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1","","2021-12-01","2022-12-09","3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide","2022-12-14"],["E2F","2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine","C19 H21 Cl N2 O","Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1;c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4","InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2","","2019-10-02","2020-05-22","2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine","2020-05-27"],["ZA9","4-[(3S)-piperidin-3-yl]-1H-indole","C13 H16 N2","c1c[NH]c2cccc(c12)C1CCCNC1;C1CNC[CH](C1)c2cccc3[nH]ccc23;c1cc(c2cc[nH]c2c1)C3CCCNC3","InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1","","2023-06-23","2023-07-07","4-[(3S)-piperidin-3-yl]-1H-indole","2023-07-12"],["ZAA","(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid","C29 H26 N4 O4","O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5;Cc1oc(nc1CCOc2cccc(Cc3nn(nc3CC(O)=O)c4ccccc4)c2)c5ccccc5;Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O","InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)","2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID","2007-12-06","2020-06-17","(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid",""],["E2G","(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide","C15 H20 N6 O3","C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O;CC(=O)NCc1ccccc1n2c(C)nnc2CNC(=O)[CH](N)O;Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O","InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1","","2017-11-27","2024-09-27","(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide","2017-12-27"],["ZAB","(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID","C15 H15 N3 O2","O=C(O)Cc2cccc(N=N/c1cccc(c1)CN)c2;NCc1cccc(c1)N=Nc2cccc(CC(O)=O)c2;c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O","InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17-","","2006-06-01","2024-09-27","(3-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid",""],["E2H","6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine","C9 H10 Cl N3 O2 S2","CC1(CC1)NC2=N[S](=O)(=O)c3sc(Cl)cc3N2;CC1(CC1)NC2=NS(=O)(=O)c3c(cc(s3)Cl)N2","InChI=1S/C9H10ClN3O2S2/c1-9(2-3-9)12-8-11-5-4-6(10)16-7(5)17(14,15)13-8/h4H,2-3H2,1H3,(H2,11,12,13)","","2022-04-17","2022-05-27","6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine","2022-06-01"],["E2I","4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C16 H19 N3 O3 S2","O=S(=O)(N)c2ccc(C(=O)CSc1ncc(cn1)CCCC)cc2;CCCCc1cnc(SCC(=O)c2ccc(cc2)[S](N)(=O)=O)nc1;CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)","","2011-06-10","2012-04-06","4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide",""],["ZAD","(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE","C8 H12 N5 O5 P","O=P(O)(O)OCC(O)Cn1c2ncnc(c2nc1)N;Nc1ncnc2n(C[CH](O)CO[P](O)(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CC(COP(=O)(O)O)O)N","InChI=1S/C8H12N5O5P/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(14)2-18-19(15,16)17/h3-5,14H,1-2H2,(H2,9,10,11)(H2,15,16,17)/t5-/m0/s1","","2008-03-28","2011-06-04","(2S)-3-(6-amino-9H-purin-9-yl)-2-hydroxypropyl dihydrogen phosphate",""],["E2J","6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one","C27 H25 F2 N3 O S","C5=4N(C(C(CCN1CCC(CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5;CC1=C(CCN2CCC(CC2)=C(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5C=CSC5=N1;CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3","InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3","Ritanserin","2017-11-28","2020-06-17","6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one","2018-02-14"],["ZAE","N-methyl-D-phenylalanine","C10 H13 N O2","O=C(O)C(NC)Cc1ccccc1;CN[CH](Cc1ccccc1)C(O)=O;CNC(Cc1ccccc1)C(=O)O","InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1","","2009-02-06","2024-09-27","N-methyl-D-phenylalanine",""],["E2K","4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid","C14 H18 N8 O5 S","Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCCCC(O)=O)nc12;c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)C3C(C(C(O3)CN=[N+]=[N-])O)O)N","InChI=1S/C14H18N8O5S/c15-11-8-12(18-5-17-11)22(14(20-8)28-3-1-2-7(23)24)13-10(26)9(25)6(27-13)4-19-21-16/h5-6,9-10,13,25-26H,1-4H2,(H,23,24)(H2,15,17,18)/t6-,9-,10-,13-/m1/s1","","2018-02-13","2019-03-08","4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid","2019-03-13"],["ZAF","O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID","C22 H27 N2 O8 P","O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)Cc2ccccc2;C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)[P](O)(=O)O[CH](Cc2ccccc2)C(O)=O;CC(C(=O)NC(C)P(=O)(O)OC(Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C22H27N2O8P/c1-15(23-22(28)31-14-18-11-7-4-8-12-18)20(25)24-16(2)33(29,30)32-19(21(26)27)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t15-,16+,19-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-{[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-alanyl}amino)ethyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid",""],["E2L","2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine","C20 H23 Cl N2 O","Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1;c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCCC4CCCNC4","InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1","","2019-10-02","2020-05-22","2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine","2020-05-27"],["ZAH","N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE","C16 H20 N2 O5","O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2;C[CH](NC(=O)OCc1ccccc1)C(=O)N2CCC[CH]2C(O)=O;CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1","Z-ALA PROLINAL","2005-02-16","2021-03-01","N-[(benzyloxy)carbonyl]-L-alanyl-L-proline",""],["ZAI","(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid","C17 H29 N4 O9 P S","Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C(NCCCCC(C(=O)O)N)NC(CS)C(=O)O)O","InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1","","2022-07-05","2024-09-27","(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid","2023-07-05"],["E2M","cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid","C29 H29 F6 N O5 S","O=C(C=Cc3ccc(Sc2ccccc2OCC1CCC(C(=O)O)CC1)c(c3C(F)(F)F)C(F)(F)F)N4CCOCC4;OC(=O)[CH]1CC[CH](CC1)COc2ccccc2Sc3ccc(C=CC(=O)N4CCOCC4)c(c3C(F)(F)F)C(F)(F)F;c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4","InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20+","","2008-08-07","2011-06-04","cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid",""],["ZAL","3-cyclohexyl-D-alanine","C9 H17 N O2","O=C(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)N","InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1","","2009-01-26","2024-09-27","3-cyclohexyl-D-alanine",""],["E2N","1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid","C13 H11 F3 N2 O4","Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F;Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F","InChI=1S/C13H11F3N2O4/c1-18-9(10(12(20)21)11(19)17-18)6-22-8-4-2-3-7(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,19)(H,20,21)","","2018-02-14","2018-12-14","1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid","2018-12-19"],["E2O","7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine","C19 H22 Cl N3 O","Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1;c1cc2c(cc1Cl)N(c3ccncc3O2)CCCC4CCCNC4","InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1","","2019-10-02","2020-05-22","7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine","2020-05-27"],["ZAM","3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE","C22 H26 N4 O2","O=C(N(C)Cc1c(N)ccc(c1)C(=O)N(C)Cc3cc2ccccc2n3C)C;CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)C(C)=O;CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C","InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3","","2002-06-18","2011-06-04","3-{[acetyl(methyl)amino]methyl}-4-amino-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]benzamide",""],["ZAN","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine","C10 H17 N6 O12 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-29(19,20)15-30(21,22)28-31(23,24)25/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H2,23,24,25)(H3,15,19,20,21,22)/t4-,6-,7-,10-/m1/s1","","2011-12-01","2012-05-18","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine",""],["E2P","PROSTAGLANDIN B2","C20 H30 O4","O=C1C(=C(/C=C/C(O)CCCCC)CC1)CC=C/CCCC(=O)O;CCCCC[CH](O)C=CC1=C(CC=CCCCC(O)=O)C(=O)CC1;CCCCCC(C=CC1=C(C(=O)CC1)CC=CCCCC(=O)O)O","InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m1/s1","","2000-09-08","2011-06-04","(5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid",""],["E2Q","6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide","C12 H8 N4 O6 S","N[S](=O)(=O)c1cccc2c3NC(=O)C(=O)Nc3cc(c12)[N+]([O-])=O;c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-]","InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","","2018-02-14","2019-03-08","6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide","2019-03-13"],["ZAP","[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE","C16 H18 N3 O5 P","O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2;NC(=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P](O)(O)=O;[H]N=C(c1ccc(cc1)C(NC(=O)OCc2ccccc2)P(=O)(O)O)N","InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1","Z-AMIDINOPHENYLMETHANE-PHOSPHONATE","1999-07-08","2024-09-27","[(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid",""],["ZAR","6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE","C12 H10 F2 N2 O3","O=C1C=CC(=NN1)c2cc(OC)c(OC(F)F)cc2;COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2;COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2","InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)","","2002-08-30","2011-06-04","6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3(2H)-one",""],["E2R","4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine","C19 H21 Cl N2 O","N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24;c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N","InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15-","","2019-10-02","2020-05-22","4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine","2020-05-27"],["E2T","~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide","C26 H24 N2 O6","CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)C4=C(C)ON(C)C4=O)C(C)=O;CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C","InChI=1S/C26H24N2O6/c1-5-32-22-9-8-17(15(2)29)14-21(22)18-11-19(24-16(3)34-28(4)26(24)31)13-20(12-18)27-25(30)23-7-6-10-33-23/h6-14H,5H2,1-4H3,(H,27,30)","","2018-02-14","2018-08-24","~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide","2018-08-29"],["ZAS","5'-azido-5'-deoxyadenosine","C10 H12 N8 O3","Nc1ncnc2c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN=[N+]=[N-])O)O)N","InChI=1S/C10H12N8O3/c11-8-5-9(14-2-13-8)18(3-15-5)10-7(20)6(19)4(21-10)1-16-17-12/h2-4,6-7,10,19-20H,1H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1","","2012-01-05","2024-05-08","5'-azido-5'-deoxyadenosine",""],["E2U","2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine","C20 H25 Cl N4 O","NCCN1CCC(CC1)CCN2c3ccncc3Oc4ccc(Cl)cc24;c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN","InChI=1S/C20H25ClN4O/c21-16-1-2-19-18(13-16)25(17-3-8-23-14-20(17)26-19)11-6-15-4-9-24(10-5-15)12-7-22/h1-3,8,13-15H,4-7,9-12,22H2","","2019-10-02","2020-05-22","2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine","2020-05-27"],["ZAT","4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)","C19 H24 N10 O","O=C(Nc1ccc(cc1)C(=NNC(=[N@H])N)C)Nc2ccc(C(=NNC(=[N@H])N)C)cc2;CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NNC(N)=N)cc1;[H]N=C(N)NN=C(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C","InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)/b26-11+,27-12+","","2008-08-18","2011-06-04","(2E)-2-(1-{4-[({4-[(1E)-N-carbamimidoylethanehydrazonoyl]phenyl}carbamoyl)amino]phenyl}ethylidene)hydrazinecarboximidamide (non-preferred name)",""],["ZAW","di(pyridin-3-yl)methanone","C11 H8 N2 O","O=C(c1cccnc1)c2cccnc2;O=C(c1cccnc1)c2cccnc2;c1cc(cnc1)C(=O)c2cccnc2","InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H","","2013-12-06","2013-12-20","di(pyridin-3-yl)methanone","2013-12-25"],["E2V","(2R)-2-(hexadecanoyloxy)propyl nonadecanoate","C38 H74 O4","C(CCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)C)CCCCCCCCC;CCCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(39)41-35-36(3)42-38(40)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1","","2017-11-29","2024-09-27","(2R)-2-(hexadecanoyloxy)propyl nonadecanoate","2020-09-30"],["ZAZ","5-cyclohexylpentan-1-ol","C11 H22 O","OCCCCCC1CCCCC1;OCCCCCC1CCCCC1;C1CCC(CC1)CCCCCO","InChI=1S/C11H22O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h11-12H,1-10H2","","2012-12-17","2018-04-27","5-cyclohexylpentan-1-ol","2018-05-02"],["E2W","6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol","C23 H27 Cl N4 O2","ONCc1nc(CCCCNc2c3CCCCc3nc4ccc(Cl)cc24)ccc1O;c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O","InChI=1S/C23H27ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13,26,29-30H,1-7,12,14H2,(H,25,28)","","2018-02-14","2018-08-24","6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol","2018-08-29"],["E2X","7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine","C19 H23 Cl N4 O","Nc1cc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2cc1Cl;c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCCC4CCCNC4","InChI=1S/C19H23ClN4O/c20-14-9-17-18(10-15(14)21)25-19-12-23-7-5-16(19)24(17)8-2-4-13-3-1-6-22-11-13/h5,7,9-10,12-13,22H,1-4,6,8,11,21H2/t13-/m0/s1","","2019-10-02","2020-08-28","7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine","2020-09-02"],["ZB0","2,3-di-O-methyl-alpha-D-glucopyranose","C8 H16 O6","O(C)C1C(OC)C(O)C(OC1O)CO;CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1OC;COC1C(C(OC(C1OC)O)CO)O","InChI=1S/C8H16O6/c1-12-6-5(10)4(3-9)14-8(11)7(6)13-2/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1","","2012-12-18","2020-07-17","2,3-di-O-methyl-alpha-D-glucopyranose","2020-07-29"],["ZB1","3-O-methyl-alpha-D-glucopyranose","C7 H14 O6","O(C1C(O)C(OC(O)C1O)CO)C;CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;COC1C(C(OC(C1O)O)CO)O","InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1","","2012-12-18","2020-07-17","3-O-methyl-alpha-D-glucopyranose","2020-07-01"],["E2Y","(R)-2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyacetonitrile","C12 H13 N O3","CC1(C)OCc2cc(ccc2O1)[CH](O)C#N;CC1(OCc2cc(ccc2O1)C(C#N)O)C","InChI=1S/C12H13NO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5,10,14H,7H2,1-2H3/t10-/m0/s1","(R)-alpha-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-6-acetonitrile","2023-06-09","2024-05-31","(2~{R})-2-(2,2-dimethyl-4~{H}-1,3-benzodioxin-6-yl)-2-oxidanyl-ethanenitrile","2024-06-05"],["ZB2","2-O-methyl-alpha-D-glucopyranose","C7 H14 O6","O(C)C1C(O)C(O)C(OC1O)CO;CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;COC1C(C(C(OC1O)CO)O)O","InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1","","2012-12-18","2020-07-17","2-O-methyl-alpha-D-glucopyranose","2020-07-29"],["E2Z","2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine","C17 H18 F N5","Fc1cccc(c1)CCNCCc2nc(ncc2)n3ccnc3;Fc1cccc(CCNCCc2ccnc(n2)n3ccnc3)c1;c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3","InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2","2-(2-(1H-Imidazol-1-yl)pyrimidin-4-yl)-n-(3-fluorophenethyl)ethan-1-amine","2014-10-21","2020-06-17","2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine","2014-12-24"],["E30","4-(1H-tetrazol-5-yl)aniline","C7 H7 N5","n1nnnc1c2ccc(N)cc2;Nc1ccc(cc1)c2[nH]nnn2;c1cc(ccc1c2[nH]nnn2)N","InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)","","2014-02-26","2015-02-06","4-(1H-tetrazol-5-yl)aniline","2015-02-11"],["ZB3","2,6-di-O-methyl-alpha-D-glucopyranose","C8 H16 O6","O(C)C1C(O)C(O)C(OC1O)COC;COC[CH]1O[CH](O)[CH](OC)[CH](O)[CH]1O;COCC1C(C(C(C(O1)O)OC)O)O","InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1","","2012-12-18","2020-07-17","2,6-di-O-methyl-alpha-D-glucopyranose","2020-07-29"],["E31","2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide","C21 H20 Cl N3 O","CCc2nc(nc(Cc1ccc(CC(=O)N)cc1)c2)c3cc(Cl)ccc3;CCc1cc(Cc2ccc(CC(N)=O)cc2)nc(n1)c3cccc(Cl)c3;CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N","InChI=1S/C21H20ClN3O/c1-2-18-13-19(10-14-6-8-15(9-7-14)11-20(23)26)25-21(24-18)16-4-3-5-17(22)12-16/h3-9,12-13H,2,10-11H2,1H3,(H2,23,26)","","2017-11-29","2018-08-17","2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide","2018-08-22"],["ZB4","N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide","C23 H31 N3 O3 S","O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1;COc1ccccc1N2CCN(CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4;COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4ccccc4","InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1","","2021-04-13","2021-06-11","N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide","2021-06-16"],["ZB6","(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid","C10 H17 N O3 S","O=C(N1C(C(=O)O)CCCC1C)CCS;C[CH]1CCC[CH](N1C(=O)CCS)C(O)=O;CC1CCCC(N1C(=O)CCS)C(=O)O","InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1","","2013-06-05","2014-05-16","(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid","2014-05-21"],["E32","7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one","C17 H18 F N5 O","N[CH]1CCN(C1)c2cc3N(C4CC4)C(=O)c5nccn5c3cc2F;c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CCC(C4)N)F)C5CC5","InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1","","2018-02-14","2018-03-29","7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one","2018-04-04"],["E33","(8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine","C19 H28 N2 O3 S","CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12;CCS(=O)(=O)N1CCCC2C1CC3c4ccc(cc4CCN3C2)OC","InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19-/m1/s1","","2019-10-03","2019-11-29","(8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine","2019-12-04"],["ZB9","2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one","C20 H22 Cl2 N6 O","O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(C1)N(C)c1ncnc2[NH]ccc21;CN([CH]1CCCN(C1)C(=O)CNc2cc(Cl)cc(Cl)c2)c3ncnc4[nH]ccc34;CN(c1c2cc[nH]c2ncn1)C3CCCN(C3)C(=O)CNc4cc(cc(c4)Cl)Cl","InChI=1S/C20H22Cl2N6O/c1-27(20-17-4-5-23-19(17)25-12-26-20)16-3-2-6-28(11-16)18(29)10-24-15-8-13(21)7-14(22)9-15/h4-5,7-9,12,16,24H,2-3,6,10-11H2,1H3,(H,23,25,26)/t16-/m1/s1","","2023-03-08","2023-03-31","2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one","2023-04-05"],["ZBA","12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate","C24 H32 O9","O=C(OC4C(=CC3OC2C1(OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C)CC(=C)C;CC(=C)CC(=O)O[CH]1C[C]2(COC(C)=O)[CH](O[CH]3[CH](O)[CH](OC(C)=O)[C]2(C)[C]34CO4)C=C1C;CC1=CC2C(CC1OC(=O)CC(=C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C","InChI=1S/C24H32O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,16-17,19-21,28H,1,7,9-11H2,2-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1","","2007-11-26","2011-06-04","(3alpha,4alpha,8beta,11beta)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbut-3-enoate",""],["E34","ethyl 3,4-diaminobenzoate","C9 H12 N2 O2","O=C(OCC)c1cc(N)c(N)cc1;CCOC(=O)c1ccc(N)c(N)c1;CCOC(=O)c1ccc(c(c1)N)N","InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3","","2013-04-20","2013-04-26","ethyl 3,4-diaminobenzoate","2013-05-01"],["E35","ethyl 3,5-dihydroxybenzoate","C9 H10 O4","O=C(OCC)c1cc(O)cc(O)c1;CCOC(=O)c1cc(O)cc(O)c1;CCOC(=O)c1cc(cc(c1)O)O","InChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3","","2013-02-13","2013-05-17","ethyl 3,5-dihydroxybenzoate","2013-05-22"],["ZBC","(2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMIDIN-1(2H)-YL)-2-HYDROXYPROPYL DIHYDROGEN PHOSPHATE","C7 H11 Br N3 O6 P","O=C1N=C(C(Br)=CN1CC(O)COP(=O)(O)O)N;NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=C1Br;C1=C(C(=NC(=O)N1CC(COP(=O)(O)O)O)N)Br","InChI=1S/C7H11BrN3O6P/c8-5-2-11(7(13)10-6(5)9)1-4(12)3-17-18(14,15)16/h2,4,12H,1,3H2,(H2,9,10,13)(H2,14,15,16)/t4-/m0/s1","","2009-07-07","2011-06-04","(2S)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate",""],["E36","2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide","C17 H14 Cl N3 O5 S2","O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc2nc4c(n2)cc3OCCOc3c4;N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3cc4OCCOc4cc3n2;c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl","InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)","","2010-03-30","2011-06-04","2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide",""],["ZBD","4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide","C25 H29 F6 N3 O5 S","N2(c1ccccc1N(S2(=O)=O)CCCC(N(C(C)CCO)C)=O)Cc3ccc(cc3)C(C(F)(F)F)(O)C(F)(F)F;C[CH](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;CC(CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C25H29F6N3O5S/c1-17(13-15-35)32(2)22(36)8-5-14-33-20-6-3-4-7-21(20)34(40(33,38)39)16-18-9-11-19(12-10-18)23(37,24(26,27)28)25(29,30)31/h3-4,6-7,9-12,17,35,37H,5,8,13-16H2,1-2H3/t17-/m1/s1","","2015-03-09","2015-04-17","4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide","2015-04-22"],["E37","N~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-L-alpha-glutamine","C22 H20 N2 O4 S","O=C(O)CCC(C(=O)N)NC(=O)c3ccc(c2scc(c1ccccc1)c2)cc3;NC(=O)[CH](CCC(O)=O)NC(=O)c1ccc(cc1)c2scc(c2)c3ccccc3;c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1","","2012-05-04","2012-06-15","N~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-L-alpha-glutamine",""],["ZBF","L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine","C20 H24 N4 O8","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CCC(=O)N(O)c1cc(C#C)ccc1;N[CH](CCC(=O)N[CH](CCC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O;C#Cc1cccc(c1)N(C(=O)CCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","InChI=1S/C20H24N4O8/c1-2-12-4-3-5-13(10-12)24(32)17(26)9-7-15(19(29)22-11-18(27)28)23-16(25)8-6-14(21)20(30)31/h1,3-5,10,14-15,32H,6-9,11,21H2,(H,22,29)(H,23,25)(H,27,28)(H,30,31)/t14-,15-/m0/s1","","2014-05-19","2015-02-06","L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine","2015-02-11"],["E38","5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide","C15 H11 Br Cl N3 O3 S2","O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc3nc2cc(Br)ccc2n3;N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3ccc(Br)cc3n2;c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl","InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)","","2010-03-22","2011-06-04","5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide",""],["ZBH","(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide","C10 H14 N2 O S","CNC(=O)C1CCCc2sc(C)nc21;CNC(=O)[CH]1CCCc2sc(C)nc12;Cc1nc2c(s1)CCCC2C(=O)NC","InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1","","2023-06-23","2023-07-07","(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide","2023-07-12"],["E39","(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole","C14 H16 F N3","CC(C)N1[CH](Cc2c(F)cccc12)c3[nH]cnc3;CC(C)N1c2cccc(c2CC1c3cnc[nH]3)F","InChI=1S/C14H16FN3/c1-9(2)18-13-5-3-4-11(15)10(13)6-14(18)12-7-16-8-17-12/h3-5,7-9,14H,6H2,1-2H3,(H,16,17)/t14-/m0/s1","","2019-10-03","2019-11-29","(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole","2019-12-04"],["ZBL","8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine","C25 H27 Cl N2 O7","Clc1cc2CCc3cc(O)cnc3C(c2cc1)=C1/CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cc(O)cnc35;c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)O","InChI=1S/C25H27ClN2O7/c26-15-3-4-17-13(9-15)1-2-14-10-16(29)11-27-19(14)18(17)12-5-7-28(8-6-12)24-22(32)20(30)21(31)23(35-24)25(33)34/h3-4,9-11,20-24,29-32H,1-2,5-8H2,(H,33,34)/t20-,21-,22+,23-,24+/m0/s1","","2023-03-08","2024-03-15","8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine","2024-03-20"],["ZBR","1,3,5-tris(bromomethyl)benzene","C9 H9 Br3","BrCc1cc(cc(c1)CBr)CBr;BrCc1cc(CBr)cc(CBr)c1;c1c(cc(cc1CBr)CBr)CBr","InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2","","2011-02-16","2024-09-27","1,3,5-tris(bromomethyl)benzene",""],["E3A","1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione","C19 H17 F N4 O4","N4(CC3C(c1nn(cc1)c2ccc(cc2)F)C3C4)C(ON5C(CCC5=O)=O)=O;Fc1ccc(cc1)n2ccc(n2)C3[CH]4CN(C[CH]34)C(=O)ON5C(=O)CCC5=O;c1cc(ccc1n2ccc(n2)C3C4C3CN(C4)C(=O)ON5C(=O)CCC5=O)F","InChI=1S/C19H17FN4O4/c20-11-1-3-12(4-2-11)23-8-7-15(21-23)18-13-9-22(10-14(13)18)19(27)28-24-16(25)5-6-17(24)26/h1-4,7-8,13-14,18H,5-6,9-10H2/t13-,14+,18+","","2017-11-29","2024-09-27","1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione","2018-03-14"],["ZBS","2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide","C26 H26 N6 O2 S2","O=C(Cc1ccccc1)Nc2sc(nn2)[CH]3CCC[CH](C3)c4sc(NC(=O)Cc5ccccc5)nn4;c1ccc(cc1)CC(=O)Nc2nnc(s2)C3CCCC(C3)c4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C26H26N6O2S2/c33-21(14-17-8-3-1-4-9-17)27-25-31-29-23(35-25)19-12-7-13-20(16-19)24-30-32-26(36-24)28-22(34)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,27,31,33)(H,28,32,34)/t19-,20-/m0/s1","","2016-06-30","2016-07-29","2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide","2016-08-03"],["E3B","1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone","C21 H23 F2 N O2","CCOc1ccc(cc1c2cccc(c2)N3CCCC(F)(F)C3)C(C)=O;CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C","InChI=1S/C21H23F2NO2/c1-3-26-20-9-8-16(15(2)25)13-19(20)17-6-4-7-18(12-17)24-11-5-10-21(22,23)14-24/h4,6-9,12-13H,3,5,10-11,14H2,1-2H3","","2018-02-15","2018-08-24","1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone","2018-08-29"],["E3C","3-ethyl, cytidine-5'-monophosphate","C11 H20 N3 O8 P","CCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CCN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C11H20N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6-10,15-16H,2,5,12H2,1H3,(H2,18,19,20)/t6-,7?,8-,9-,10-/m1/s1","","2017-09-25","2019-05-02","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-ethyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["ZBT","2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole","C7 H13 N S","CC[CH](C)C1=NCCS1;CCC(C)C1=NCCS1","InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m0/s1","2-sec-butyl-4,5-dihydrothiazole","2009-12-16","2021-03-13","2-[(2S)-butan-2-yl]-4,5-dihydro-1,3-thiazole",""],["ZBU","(S)-1'-(2',3'-DIHYDROXYPROPYL)-5-BROMO-URACIL","C7 H10 Br N2 O7 P","O=P(O)(O)OCC(O)CN1C=C(Br)C(=O)NC1=O;O[CH](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O;C1=C(C(=O)NC(=O)N1CC(COP(=O)(O)O)O)Br","InChI=1S/C7H10BrN2O7P/c8-5-2-10(7(13)9-6(5)12)1-4(11)3-17-18(14,15)16/h2,4,11H,1,3H2,(H,9,12,13)(H2,14,15,16)/t4-/m0/s1","","2010-04-16","2011-06-04","(2S)-3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate",""],["E3D","dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium","C9 H10 Cl2 N2 Ru","c1([Ru](Cl)Cl)n(C)c2c([n+]1C)cccc2;Cn1c2ccccc2[n+](C)c1[Ru](Cl)Cl;Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C","InChI=1S/C9H10N2.2ClH.Ru/c1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h3-6H,1-2H3;2*1H;/q+1;;;+2/p-2","dichlorido(1,3-dimethylbenzimidazol-2-ylidene)ruthenium(II)","2017-11-29","2021-03-13","dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium","2018-05-16"],["ZBX","methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate","C23 H22 O8","CC[C]1(O)C[CH](O)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3cc2[CH]1C(=O)OC;CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4OC)C3=O)C1C(=O)OC)O)O","InChI=1S/C23H22O8/c1-4-23(29)9-13(24)15-11(18(23)22(28)31-3)8-12-17(20(15)26)21(27)16-10(19(12)25)6-5-7-14(16)30-2/h5-8,13,18,24,26,29H,4,9H2,1-3H3/t13-,18-,23+/m0/s1","","2012-12-17","2022-08-19","methyl (1~{R},2~{R},4~{S})-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate","2022-08-24"],["E3E","5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one","C18 H13 F N4 O","Fc1cc2n3ccnc3C(=O)N(C4CC4)c2cc1c5ccncc5;c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5","InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2","","2018-02-15","2018-03-29","5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one","2018-04-04"],["ZBZ","S-(phenylcarbonyl)-L-cysteine","C10 H11 N O3 S","O=C(O)C(N)CSC(=O)c1ccccc1;N[CH](CSC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)SCC(C(=O)O)N","InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1","","2010-02-09","2024-09-27","S-benzoyl-L-cysteine",""],["E3F","(8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine","C19 H28 N2 O3 S","CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12;CCS(=O)(=O)N1CCCC2C1CC3c4ccc(cc4CCN3C2)OC","InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19+/m1/s1","","2019-10-03","2019-11-29","(8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine","2019-12-04"],["E3G","ESTRONE BETA-D-GLUCURONIDE","C24 H30 O8","O=C4C3(C)CCC5c2c(cc(OC1OC(C(=O)O)C(O)C(O)C1O)cc2)CCC5C3CC4;C[C]12CC[CH]3[CH](CCc4cc(O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O)ccc34)[CH]1CCC2=O;CC12CCC3c4ccc(cc4CCC3C1CCC2=O)OC5C(C(C(C(O5)C(=O)O)O)O)O","InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1","","1999-07-08","2011-06-04","(14beta)-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid",""],["ZC0","Contezolid","C18 H15 F3 N4 O4","C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O;Fc1cc(N2C[CH](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O)C=C4;c1conc1NCC2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F","InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1","MRX-I","2020-04-29","2020-06-17","1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one","2020-06-03"],["E3H","~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide","C27 H26 N2 O6","CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)C4=C(C)ON(CC)C4=O)C(C)=O;CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C","InChI=1S/C27H26N2O6/c1-5-29-27(32)25(17(4)35-29)20-12-19(13-21(14-20)28-26(31)24-8-7-11-34-24)22-15-18(16(3)30)9-10-23(22)33-6-2/h7-15H,5-6H2,1-4H3,(H,28,31)","","2018-02-15","2018-08-24","~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide","2018-08-29"],["ZC3","N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE","C9 H7 F N2 O S","CC(=O)Nc1sc2ccc(F)cc2n1;CC(=O)Nc1nc2cc(ccc2s1)F","InChI=1S/C9H7FN2OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13)","","2015-06-10","2016-06-24","N-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide","2016-06-29"],["ZC9","(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine","C8 H6 F N3","Fc1cnc(cc1)c1ccn[NH]1;Fc1ccc(nc1)c2[nH]ncc2;c1cc(ncc1F)c2ccn[nH]2","InChI=1S/C8H6FN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)","","2023-06-23","2023-07-07","(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine","2023-07-12"],["E3I","3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide","C30 H29 Cl2 F3 N8 O5","NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCN(CC2C)C2COC2)c2N=C(N(C)C(=O)c12)C(F)(F)F;C[CH]1CN(CCN1c2cc(NC(=O)Cn3cc(c4cc(Cl)c(O)c(c4)C(N)=O)c5C(=O)N(C)C(=Nc35)C(F)(F)F)c(Cl)cn2)C6COC6;CC1CN(CCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=C(N(C4=O)C)C(F)(F)F)c5cc(c(c(c5)Cl)O)C(=O)N)C6COC6","InChI=1S/C30H29Cl2F3N8O5/c1-14-9-41(16-12-48-13-16)3-4-43(14)22-7-21(20(32)8-37-22)38-23(44)11-42-10-18(15-5-17(26(36)46)25(45)19(31)6-15)24-27(42)39-29(30(33,34)35)40(2)28(24)47/h5-8,10,14,16,45H,3-4,9,11-13H2,1-2H3,(H2,36,46)(H,37,38,44)/t14-/m0/s1","","2021-12-01","2022-11-04","3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide","2022-11-09"],["E3J","~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide","C13 H18 N2 O2 S","Sc1ccccc1C(=O)NCCN2CCOCC2;c1ccc(c(c1)C(=O)NCCN2CCOCC2)S","InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)","","2021-12-23","2024-09-27","~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide","2022-11-23"],["ZCD","alpha-D-idopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m1/s1","alpha-D-idose; D-idose; idose","2012-12-17","2020-07-17","alpha-D-idopyranose","2020-07-29"],["E3K","azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium","C14 H20 N9 O4 S2","Nc1ncnc2n([CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O)c(SCC(=O)NCCS)nc12;c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)C3C(C(C(O3)CN=[N+]=N)O)O)N","InChI=1S/C14H19N9O4S2/c15-11-8-12(19-5-18-11)23(14(21-8)29-4-7(24)17-1-2-28)13-10(26)9(25)6(27-13)3-20-22-16/h5-6,9-10,13,16,25-26H,1-4H2,(H3-,15,17,18,19,24,28)/p+1/t6-,9-,10-,13-/m1/s1","","2018-02-15","2019-03-08","azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium","2019-03-13"],["ZCF","N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine","C21 H27 N5 O","Cn1cc(cn1)CN(C)Cc1nc(no1)C1(CCCC1)c1ccc(C)cc1;CN(Cc1cnn(C)c1)Cc2onc(n2)C3(CCCC3)c4ccc(C)cc4;Cc1ccc(cc1)C2(CCCC2)c3nc(on3)CN(C)Cc4cnn(c4)C","InChI=1S/C21H27N5O/c1-16-6-8-18(9-7-16)21(10-4-5-11-21)20-23-19(27-24-20)15-25(2)13-17-12-22-26(3)14-17/h6-9,12,14H,4-5,10-11,13,15H2,1-3H3","","2023-03-08","2023-10-06","N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine","2023-10-11"],["ZCI","2-bromo-1H-imidazole","C3 H3 Br N2","Brc1ncc[NH]1;Brc1[nH]ccn1;c1cnc([nH]1)Br","InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)","","2023-06-23","2024-09-27","2-bromo-1H-imidazole","2023-07-12"],["E3M","(1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol","C10 H20 N2 O8 S","C1(OC(C(C(C1)N)NC(C)=O)C(C(CO)O)O)S(O)(=O)=O;CC(=O)N[CH]1[CH](N)C[CH](O[CH]1[CH](O)[CH](O)CO)[S](O)(=O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)S(=O)(=O)O)N","InChI=1S/C10H20N2O8S/c1-4(14)12-8-5(11)2-7(21(17,18)19)20-10(8)9(16)6(15)3-13/h5-10,13,15-16H,2-3,11H2,1H3,(H,12,14)(H,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1","(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol","2017-11-30","2020-07-17","(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol","2018-03-07"],["ZCL","3,4-dichloro-L-phenylalanine","C9 H9 Cl2 N O2","Clc1ccc(cc1Cl)CC(C(=O)O)N;N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)Cl)Cl","InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1","","2010-12-29","2024-09-27","3,4-dichloro-L-phenylalanine",""],["E3N","1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea","C21 H30 F3 N3 O5 S","CC(C)[S](=O)(=O)N1CCC2(CC1)C[CH](CCO2)NC(=O)NCc3ccc(OC(F)(F)F)cc3;CC(C)S(=O)(=O)N1CCC2(CC1)CC(CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F","InChI=1S/C21H30F3N3O5S/c1-15(2)33(29,30)27-10-8-20(9-11-27)13-17(7-12-31-20)26-19(28)25-14-16-3-5-18(6-4-16)32-21(22,23)24/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,28)/t17-/m0/s1","","2018-02-16","2018-09-07","1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea","2018-09-12"],["ZCM","CURIUM ION","Cm","[Cm+3];[Cm+3];[Cm+3]","InChI=1S/Cm/q+3","","2015-04-29","2015-07-31","curium(3+)","2015-08-05"],["E3O","(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL","C18 H24 O3","Oc1cc4c(cc1)C3CCC2(C(CC(O)C2O)C3CC4)C;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](O)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)O","InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1","","2006-10-17","2011-06-04","(9beta,13alpha,14beta,16alpha,17alpha)-estra-1(10),2,4-triene-3,16,17-triol",""],["ZCQ","3-nitrophenol","C6 H5 N O3","O=[N+]([O-])c1cccc(O)c1;Oc1cccc(c1)[N+]([O-])=O;c1cc(cc(c1)O)[N+](=O)[O-]","InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H","","2012-12-17","2024-09-27","3-nitrophenol","2019-08-28"],["E3P","N~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-L-alpha-glutamine","C26 H26 N2 O4","O=C(O)CCC(C(=O)N)NC(=O)CCc1ccc(cc1)c3ccc(c2ccccc2)cc3;NC(=O)[CH](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1","","2011-09-30","2012-06-15","N~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-L-alpha-glutamine",""],["ZCT","2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid","C32 H26 O14","O=C(O)CC6OC(C5=C(C(=O)c4c(O)cc(c2cc(O)c1C(=O)C3=C(C(=O)c1c2O)C(OC(C3)CC(=O)O)C)c(O)c4C5=O)C6)C;C[CH]1O[CH](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)c3C2=O)c4cc(O)c5C(=O)C6=C([CH](C)O[CH](CC(O)=O)C6)C(=O)c5c4O;CC1C2=C(CC(O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)CC(OC6C)CC(=O)O)O)O","InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1","","2007-11-30","2011-06-04","2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid",""],["E3Q","1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one","C27 H34 N2 O4","COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCCCCC4)C(=O)C3(C)C;CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C","InChI=1S/C27H34N2O4/c1-27(2)25(28-29(26(27)30)21-12-7-5-6-8-13-21)19-15-16-23(32-4)24(17-19)33-18-20-11-9-10-14-22(20)31-3/h9-11,14-17,21H,5-8,12-13,18H2,1-4H3","","2018-02-16","2019-03-08","2-cycloheptyl-5-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-4,4-dimethyl-pyrazol-3-one","2019-03-13"],["ZCW","2-(1H-indol-3-yl)ethanol","C10 H11 N O","OCCc2c1ccccc1nc2;OCCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCO","InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2","","2012-12-17","2017-12-01","2-(1H-indol-3-yl)ethanol","2017-12-06"],["E3R","7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile","C25 H37 N O3","CC(C)(CCCCCC#N)c1cc(O)c2[CH]3C[CH](CO)CC[CH]3C(C)(C)Oc2c1;CC1(C2CCC(CC2c3c(cc(cc3O1)C(C)(C)CCCCCC#N)O)CO)C","InChI=1S/C25H37NO3/c1-24(2,11-7-5-6-8-12-26)18-14-21(28)23-19-13-17(16-27)9-10-20(19)25(3,4)29-22(23)15-18/h14-15,17,19-20,27-28H,5-11,13,16H2,1-4H3/t17-,19-,20-/m1/s1","","2022-04-17","2022-08-22","7-[(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-6,6-dimethyl-1-oxidanyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-3-yl]-7-methyl-octanenitrile","2022-04-27"],["E3S","(1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide","C26 H28 F N3 O5","c3cc2C(C(=O)Nc1cc(c(cc1)C(C)(C)C)F)N(CCc2cc3OC)C(CC4=CC(=O)NO4)=O;COc1ccc2[CH](N(CCc2c1)C(=O)CC3=CC(=O)NO3)C(=O)Nc4ccc(c(F)c4)C(C)(C)C;CC(C)(C)c1ccc(cc1F)NC(=O)C2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC","InChI=1S/C26H28FN3O5/c1-26(2,3)20-8-5-16(12-21(20)27)28-25(33)24-19-7-6-17(34-4)11-15(19)9-10-30(24)23(32)14-18-13-22(31)29-35-18/h5-8,11-13,24H,9-10,14H2,1-4H3,(H,28,33)(H,29,31)/t24-/m1/s1","","2017-11-30","2018-03-16","(1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide","2018-03-21"],["ZCY","(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE","C7 H12 N3 O6 P","O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N;NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=C1;C1=CN(C(=O)N=C1N)CC(COP(=O)(O)O)O","InChI=1S/C7H12N3O6P/c8-6-1-2-10(7(12)9-6)3-5(11)4-16-17(13,14)15/h1-2,5,11H,3-4H2,(H2,8,9,12)(H2,13,14,15)/t5-/m0/s1","","2008-03-28","2011-06-04","(2S)-3-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate",""],["E3T","~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide","C26 H24 N2 O5","CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4C)C(C)=O;CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C","InChI=1S/C26H24N2O5/c1-5-31-23-9-8-18(16(3)29)14-22(23)19-11-20(25-15(2)28-33-17(25)4)13-21(12-19)27-26(30)24-7-6-10-32-24/h6-14H,5H2,1-4H3,(H,27,30)","","2018-02-16","2018-08-24","~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide","2018-08-29"],["ZCZ","4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose","C11 H21 N O7","O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO;CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH]1O;CC1C(C(C(C(O1)O)OC)O)NC(=O)C(CCO)O","InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1","","2012-12-17","2020-07-17","4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose","2020-07-29"],["E3U","(6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one","C16 H12 O6","Oc1ccc2c(OC[C]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O;c1cc(c(c2c1C3=C4C=C(C(=O)C=C4CC3(CO2)O)O)O)O","InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1","","2019-10-04","2020-02-21","(6~{a}~{R})-3,4,6~{a},10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one","2020-02-26"],["ZD0","methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside","C11 H21 N O7","O=C(NC1C(OC(OC)C(O)C1O)C)C(O)CCO;CO[CH]1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC)O)O)NC(=O)C(CCO)O","InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11+/m1/s1","","2012-12-17","2020-07-17","methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside","2020-07-29"],["ZD1","(1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside","C13 H23 N O9","OCC1=CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O;N[CH]1C=C(CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1=C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)CO","InChI=1S/C13H23NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h1,5-13,15-21H,2-3,14H2/t5-,6+,7-,8+,9-,10+,11+,12+,13+/m0/s1","","2021-04-14","2021-07-09","(1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside","2021-07-14"],["E3V","{cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid","C28 H30 F N3 O5","c5cc1c(CCN(C1C(=O)Nc2cc3c(c(c2)F)C(C=C3)(C)C)C(C4CC(CC(O)=O)C4)=O)nc5OC;COc1ccc2[CH](N(CCc2n1)C(=O)[CH]3C[CH](C3)CC(O)=O)C(=O)Nc4cc(F)c5c(C=CC5(C)C)c4;CC1(C=Cc2c1c(cc(c2)NC(=O)C3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C","InChI=1S/C28H30FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-6,8,13-15,17,25H,7,9-12H2,1-3H3,(H,30,35)(H,33,34)/t15-,17+,25-/m1/s1","","2017-11-30","2018-03-16","{cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid","2018-03-21"],["E3W","4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid","C29 H25 N7 O6 S","O=C(Nc1ccc(cc1)c1ccc(OCc2ccccc2)c(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccc(cc3)c4ccc(OCc5ccccc5)c(c4)C(O)=O;c1ccc(cc1)COc2ccc(cc2C(=O)O)c3ccc(cc3)NC(=O)n4c(nc(n4)Nc5ccc(cc5)S(=O)(=O)N)N","InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35)","","2021-12-01","2022-06-10","4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid","2022-06-15"],["ZD2","(2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid","C9 H11 N5 O3","O=C(O)C(CCn2c1ncnc(c1nc2)N)O;Nc1ncnc2n(CC[CH](O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCC(C(=O)O)O)N","InChI=1S/C9H11N5O3/c10-7-6-8(12-3-11-7)14(4-13-6)2-1-5(15)9(16)17/h3-5,15H,1-2H2,(H,16,17)(H2,10,11,12)/t5-/m0/s1","","2016-10-13","2016-10-21","(2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid","2016-10-26"],["E3X","4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol","C12 H15 N O","CN1CCC(=CC1)c2ccc(O)cc2;CN1CCC(=CC1)c2ccc(cc2)O","InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3","","2019-10-07","2020-09-18","4-(1-methyl-3,6-dihydro-2~{H}-pyridin-4-yl)phenol","2020-09-23"],["ZD3","{(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol","C16 H18 F3 N3 O","FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO;Cc1ccc2nc(cc(N3CCN[CH](CO)C3)c2c1)C(F)(F)F;Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNC(C3)CO","InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m0/s1","","2023-03-08","2023-04-21","{(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol","2023-04-26"],["ZD4","2-chloroadenosine 5'-(trihydrogen diphosphate)","C10 H14 Cl N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O;Nc1nc(Cl)nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N","InChI=1S/C10H14ClN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","2021-04-14","2021-12-03","2-chloroadenosine 5'-(trihydrogen diphosphate)","2021-12-08"],["E3Y","2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine","C17 H15 Cl N4 O","c2(nc1ncccc1c(n2)N4c3ccc(cc3CCC4)OC)Cl;COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ncccc34;COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl","InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3","","2017-11-30","2018-06-22","2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine","2018-06-27"],["E3Z","~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide","C19 H16 Cl N5 O","Clc1cnc(Nc2ccccc2)nc1Nc3cccc(NC(=O)C=C)c3;C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl","InChI=1S/C19H16ClN5O/c1-2-17(26)22-14-9-6-10-15(11-14)23-18-16(20)12-21-19(25-18)24-13-7-4-3-5-8-13/h2-12H,1H2,(H,22,26)(H2,21,23,24,25)","","2018-02-16","2019-03-08","~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide","2019-03-13"],["ZD5","{(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol","C16 H18 F3 N3 O","FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO;Cc1ccc2nc(cc(N3CCN[CH](CO)C3)c2c1)C(F)(F)F;Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNC(C3)CO","InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m1/s1","","2023-03-08","2023-04-21","{(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol","2023-04-26"],["ZD6","Vandetanib","C22 H24 Br F N4 O2","COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4;CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br","InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)","ZD6474","2006-06-16","2021-03-01","~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine",""],["E40","(2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide","C28 H29 N3 O8 S","O=S(=O)(c2ccc(c1ccc(OC)cc1)cc2)N(OC(C)C)C(C(=O)NO)CCN4C(=O)c3ccccc3C4=O;COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N(OC(C)C)[CH](CCN3C(=O)c4ccccc4C3=O)C(=O)NO;CC(C)ON(C(CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC","InChI=1S/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/m1/s1","EN140","2014-11-22","2021-03-01","(2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide","2015-08-26"],["ZD7","5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one","C26 H26 N6 O","O=C2N(c1cc(nc(c1CC2)CC)CC)Cc5ccc(c3ccccc3c4nnnn4)cc5;CCc1cc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)CCc2c(CC)n1;CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5","InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)","","2015-02-18","2015-04-17","5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one","2015-04-22"],["E41","N-hydroxy-N^2^-(3-methylbutyl)-N^2^-(naphthalen-2-ylsulfonyl)-D-valinamide","C20 H28 N2 O4 S","O=C(NO)C(N(CCC(C)C)S(=O)(=O)c2ccc1c(cccc1)c2)C(C)C;CC(C)CCN([CH](C(C)C)C(=O)NO)[S](=O)(=O)c1ccc2ccccc2c1;CC(C)CCN(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1","","2011-08-10","2014-09-05","N-hydroxy-N~2~-(3-methylbutyl)-N~2~-(naphthalen-2-ylsulfonyl)-D-valinamide",""],["ZD9","2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one","C14 H15 N3 O","O=C1c2cc(c(cc2N=C(N1)C)C)CNC#CC;CC#CNCc1cc2C(=O)NC(=Nc2cc1C)C;CC#CNCc1cc2c(cc1C)N=C(NC2=O)C","InChI=1S/C14H15N3O/c1-4-5-15-8-11-7-12-13(6-9(11)2)16-10(3)17-14(12)18/h6-7,15H,8H2,1-3H3,(H,16,17,18)","","2011-06-30","2011-12-02","2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one",""],["E42","(R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid","C15 H15 N O3","c1c(cccc1CC(C(=O)O)N)c2cccc(c2)O;N[CH](Cc1cccc(c1)c2cccc(O)c2)C(O)=O;c1cc(cc(c1)c2cccc(c2)O)CC(C(=O)O)N","InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1","","2015-07-02","2015-12-24","(2R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid (non-preferred name)","2015-12-29"],["E43","12-POLYTUNGSTATE","H2 O40 W12","O=[W]1234O[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O1)O[W]%13(=O)(O8)(O[W]%14%15%16(=O)O[W]%17(=O)(O2)(O%11)O[W]%18(=O)(O[W](=O)(O3)(O5)(O[W]%19%20(=O)(O[W]%21(=O)(O6)(O9)O[W](=O)(O%13)(O%14)(O%19)[OH++]%20%21)O%18)[O+]47)(O%15)[OH++]%16%17)[O+]%10%12;O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3","InChI=1S/2HO.38O.12W/h2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q2*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;","","2013-07-05","2014-09-05","","2014-02-12"],["ZDA","2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)","C10 H16 N5 O11 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C;C[CH]1O[CH](C[CH]1O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H16N5O11P3/c1-5-6(24-28(19,20)26-29(21,22)25-27(16,17)18)2-7(23-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1","2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE","2014-10-29","2020-06-17","2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)","2015-09-02"],["E44","2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine","C17 H15 Cl N4 O","c2(Cl)nc1cccnc1c(n2)N4c3ccc(cc3CCC4)OC;COc1ccc2N(CCCc2c1)c3nc(Cl)nc4cccnc34;COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl","InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-15-13(5-2-8-19-15)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3","","2017-12-01","2018-06-22","2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine","2018-06-27"],["ZDC","3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid","C8 H14 O6","O=C(O)CC1OC(C(O)C(O)C1O)C;C[CH]1O[CH](CC(O)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)CC(=O)O)O)O)O","InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1","","2012-12-17","2024-09-27","3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid","2016-02-10"],["ZDF","N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine","C22 H29 N5 O","Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn2cccn2)on1;CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C)cc4;CCN(CCn1cccn1)Cc2nc(no2)C3(CCCC3)c4ccc(cc4)C","InChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3","","2023-03-08","2023-09-29","N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine","2023-10-04"],["E45","3-propan-2-yl-1,2,4-thiadiazol-5-amine","C5 H9 N3 S","CC(C)c1nsc(N)n1;CC(C)c1nc(sn1)N","InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)","","2022-01-03","2023-03-31","3-propan-2-yl-1,2,4-thiadiazol-5-amine","2023-04-05"],["ZDG","4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate","C26 H25 Cl2 N5 O4","Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(cc3)C#CCCO[N+]([O-])=O)C(=O)NN4CCCCC4;Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-]","InChI=1S/C26H25Cl2N5O4/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-37-33(35)36/h8-13,17H,2,4-6,14-16H2,1H3,(H,30,34)","","2016-10-11","2016-10-28","4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate","2016-11-02"],["E46","N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C18 H19 F3 N6 O","FC(F)(F)Oc1cccc(c1)n3nnc2ccc(nc23)NCC4CCNCC4;FC(F)(F)Oc1cccc(c1)n2nnc3ccc(NCC4CCNCC4)nc23;c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2","InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)","","2011-11-12","2014-09-05","N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine",""],["ZDJ","3-methyl-L-tyrosine","C10 H13 N O3","Cc1cc(CC(N)C(=O)O)ccc1O;Cc1cc(C[CH](N)C(O)=O)ccc1O;Cc1cc(ccc1O)CC(C(=O)O)N","InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1","","2021-04-15","2024-09-27","3-methyl-L-tyrosine","2021-12-29"],["E47","5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde","C17 H16 N4 O3","Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23;c1cc(c(cc1c2c[nH]c3c2c(ncn3)N4CCOCC4)C=O)O","InChI=1S/C17H16N4O3/c22-9-12-7-11(1-2-14(12)23)13-8-18-16-15(13)17(20-10-19-16)21-3-5-24-6-4-21/h1-2,7-10,23H,3-6H2,(H,18,19,20)","","2023-06-13","2024-09-27","5-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde","2023-10-18"],["E48","6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","C21 H26 N6 O6","CC1(C)O[CH]2CO[C]3(CNc4[nH]c5cc6N=C(N)NC(=O)c6cc5n4)OC(C)(C)O[CH]3[CH]2O1;CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C","InChI=1S/C21H26N6O6/c1-19(2)30-13-7-29-21(15(14(13)31-19)32-20(3,4)33-21)8-23-18-25-11-5-9-10(6-12(11)26-18)24-17(22)27-16(9)28/h5-6,13-15H,7-8H2,1-4H3,(H2,23,25,26)(H3,22,24,27,28)/t13-,14-,15+,21+/m1/s1","","2018-02-17","2019-03-08","6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","2019-03-13"],["ZDK","1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine","C23 H27 N3 O2","COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1ccccc1;COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc3)c4ccccc4;COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4ccccc4","InChI=1S/C23H27N3O2/c1-27-17-18-12-14-26(15-13-18)16-21-24-23(25-28-21)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3","","2023-03-08","2023-09-29","1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine","2023-10-04"],["E49","2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C14 H14 Cl N3 O3 S2","O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1nc(cc(n1)C)C)c2;Cc1cc(C)nc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)n1;Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C","InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-11(15)13(6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21)","","2011-06-10","2012-04-13","2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide",""],["ZDL","1,3-dimethylimidazolidine","C5 H12 N2","CN1CCN(C)C1;CN1CCN(C)C1;CN1CCN(C1)C","InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3","","2023-06-23","2024-09-27","1,3-dimethylimidazolidine","2023-07-12"],["E4A","(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","C35 H43 N3 O4","C2(Cc3cc(OCCCCNc1cc(cc(c1)C(C)=O)C(N2)=O)ccc3)C(CNC4(CC4)c5cc(ccc5)C(C)C)O;CC(C)c1cccc(c1)C2(CC2)NC[CH](O)[CH]3Cc4cccc(OCCCCNc5cc(cc(c5)C(=O)N3)C(C)=O)c4;CC(C)c1cccc(c1)C2(CC2)NCC(C3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O","InChI=1S/C35H43N3O4/c1-23(2)26-9-7-10-29(19-26)35(12-13-35)37-22-33(40)32-17-25-8-6-11-31(16-25)42-15-5-4-14-36-30-20-27(24(3)39)18-28(21-30)34(41)38-32/h6-11,16,18-21,23,32-33,36-37,40H,4-5,12-15,17,22H2,1-3H3,(H,38,41)/t32-,33+/m0/s1","","2017-12-04","2020-05-29","(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","2020-06-03"],["ZDM","nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C21 H40 O11","O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1","nonyl-beta-D-maltoside","2011-03-03","2020-06-17","nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["ZDO","methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside","C7 H15 N O11 S2","O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O;COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O","InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1","","2012-12-19","2020-07-17","methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside","2020-07-29"],["E4B","ethyl 4-hydroxybenzoate","C9 H10 O3","O=C(OCC)c1ccc(O)cc1;CCOC(=O)c1ccc(O)cc1;CCOC(=O)c1ccc(cc1)O","InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3","Ethyl p-hydroxybenzoate","2012-05-11","2021-03-01","ethyl 4-hydroxybenzoate",""],["ZDP","(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID","C8 H16 N2 O4","O=C(O)C(N)(CCCC(N)C(=O)O)C;C[C](N)(CCC[CH](N)C(O)=O)C(O)=O;CC(CCCC(C(=O)O)N)(C(=O)O)N","InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1","","2006-04-13","2024-09-27","(2S,6S)-2,6-diamino-2-methylheptanedioic acid",""],["E4C","(8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one","C22 H30 N6 O","CC(C)(C)c1ccc(cc1)CNc1nc2N=C(CC(=O)n2n1)CN1CCCCC1;CC(C)(C)c1ccc(CNc2nn3C(=O)CC(=Nc3n2)CN4CCCCC4)cc1;CC(C)(C)c1ccc(cc1)CNc2nc3n(n2)C(=O)CC(=N3)CN4CCCCC4","InChI=1S/C22H30N6O/c1-22(2,3)17-9-7-16(8-10-17)14-23-20-25-21-24-18(13-19(29)28(21)26-20)15-27-11-5-4-6-12-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,26)","","2021-12-02","2022-09-30","(8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one","2022-10-05"],["E4D","(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL","C27 H29 N O4 S","O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CCCCC3)cc4)cc(O)cc5;Oc1ccc(cc1)[CH]2Sc3cc(O)ccc3O[CH]2c4ccc(OCCN5CCCCC5)cc4;c1cc(ccc1C2C(Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O","InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1","COMPOUND 4-D","2004-03-10","2021-03-01","(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol",""],["ZDR","(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID","C8 H16 N2 O4","O=C(O)C(N)(CCCC(N)C(=O)O)C;C[C](N)(CCC[CH](N)C(O)=O)C(O)=O;CC(CCCC(C(=O)O)N)(C(=O)O)N","InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8+/m0/s1","","2006-04-13","2024-09-27","(2R,6S)-2,6-diamino-2-methylheptanedioic acid",""],["ZDU","5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C12 H20 N3 O8 P","O=C1NC(=O)N(C=C1CCCN)C2OC(C(O)C2)COP(=O)(O)O;NCCCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O","InChI=1S/C12H20N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h5,8-10,16H,1-4,6,13H2,(H,14,17,18)(H2,19,20,21)/t8-,9+,10+/m0/s1","","2005-04-08","2011-06-04","5-(3-aminopropyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["E4E","6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","C15 H18 N6 O5","CO[CH]1O[CH](CNc2[nH]c3cc4N=C(N)NC(=O)c4cc3n2)[CH](O)[CH]1O;COC1C(C(C(O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O","InChI=1S/C15H18N6O5/c1-25-13-11(23)10(22)9(26-13)4-17-15-19-7-2-5-6(3-8(7)20-15)18-14(16)21-12(5)24/h2-3,9-11,13,22-23H,4H2,1H3,(H2,17,19,20)(H3,16,18,21,24)/t9-,10-,11-,13-/m1/s1","","2018-02-17","2019-03-08","6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","2019-03-13"],["ZDV","1-(3-fluorophenyl)methanamine","C7 H8 F N","Fc1cc(ccc1)CN;NCc1cccc(F)c1;c1cc(cc(c1)F)CN","InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2","","2010-11-15","2012-01-13","1-(3-fluorophenyl)methanamine",""],["E4F","5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid","C23 H26 N2 O5","O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCCN;NCCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc4OCOc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN","InChI=1S/C23H26N2O5/c24-10-4-3-7-20(26)25-18-12-14-5-1-2-6-16(14)17(18)11-15-8-9-19-22(30-13-29-19)21(15)23(27)28/h1-2,5-6,8-9,17-18H,3-4,7,10-13,24H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1","","2013-12-19","2014-09-05","5-({(1R,2S)-2-[(5-aminopentanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["E4G","(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","C34 H42 N2 O6","C2(Cc3cc(OCCCCOc1cc(cc(c1)OCC(C)=O)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O;CC(C)c1cccc(CNC[CH](O)[CH]2Cc3cccc(OCCCCOc4cc(OCC(C)=O)cc(c4)C(=O)N2)c3)c1;CC(C)c1cccc(c1)CNCC(C2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O","InChI=1S/C34H42N2O6/c1-23(2)27-10-6-9-26(14-27)20-35-21-33(38)32-16-25-8-7-11-29(15-25)40-12-4-5-13-41-30-17-28(34(39)36-32)18-31(19-30)42-22-24(3)37/h6-11,14-15,17-19,23,32-33,35,38H,4-5,12-13,16,20-22H2,1-3H3,(H,36,39)/t32-,33+/m0/s1","","2017-12-04","2020-05-29","(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","2020-06-03"],["ZE0","(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol","C40 H56 O","OC(C)(C)CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(C)C)C)C)C)C)C)C;CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O;CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)C)C)C)C","InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+","","2012-12-18","2022-09-30","(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol","2022-10-05"],["ZE2","4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol","C17 H25 N O5 S","OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CCCCc21)CO;COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO)CC3;COc1ccc(c2c1CCCC2)S(=O)(=O)N3CCC(CC3)(CO)O","InChI=1S/C17H25NO5S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)18-10-8-17(20,12-19)9-11-18/h6-7,19-20H,2-5,8-12H2,1H3","","2023-03-08","2023-09-29","4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol","2023-10-04"],["E4H","(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE","C17 H28 O4","O=C1OC(C(C=CC(=O)C(CC(C)C(O)C1C)C)C)CC;CC[CH]1OC(=O)[CH](C)[CH](O)[CH](C)C[CH](C)C(=O)C=C[CH]1C;CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)O)C)C)C","InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1","","2006-06-29","2011-06-04","(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione",""],["E4I","1-methylimidazole-4-sulfonamide","C4 H7 N3 O2 S","Cn1cnc(c1)[S](N)(=O)=O;Cn1cc(nc1)S(=O)(=O)N","InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)","","2022-01-03","2023-03-24","1-methylimidazole-4-sulfonamide","2023-03-29"],["ZE7","6-cyclohexylhexan-1-ol","C12 H24 O","OCCCCCCC1CCCCC1;OCCCCCCC1CCCCC1;C1CCC(CC1)CCCCCCO","InChI=1S/C12H24O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h12-13H,1-11H2","","2012-12-18","2017-03-17","6-cyclohexylhexan-1-ol","2017-03-22"],["ZE8","Zebularine","C9 H12 N2 O5","O=C1N=CC=CN1C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=NC2=O;C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O","InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1","","2014-06-03","2014-09-05","1-(beta-D-ribofuranosyl)pyrimidin-2(1H)-one","2014-08-13"],["E4J","2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide","C28 H42 N4 O4","C(Cc1ccccc1)(NC(c2cc(NCCCC)nc(c2)OC)=O)C(O)CC(C(NCCCC)=O)C;CCCCNC(=O)[CH](C)C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cc(NCCCC)nc(OC)c2;CCCCNc1cc(cc(n1)OC)C(=O)NC(Cc2ccccc2)C(CC(C)C(=O)NCCCC)O","InChI=1S/C28H42N4O4/c1-5-7-14-29-25-18-22(19-26(32-25)36-4)28(35)31-23(17-21-12-10-9-11-13-21)24(33)16-20(3)27(34)30-15-8-6-2/h9-13,18-20,23-24,33H,5-8,14-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,35)/t20-,23+,24+/m1/s1","","2017-12-04","2020-05-29","2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide","2020-06-03"],["ZE9","1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one","C14 H16 N2 O3","CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1;CC(=O)N1N[CH](C[CH]1c2occc2)c3oc(C)cc3;Cc1ccc(o1)C2CC(N(N2)C(=O)C)c3ccco3","InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1","","2023-06-23","2024-09-27","1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one","2023-07-12"],["E4K","7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid","C29 H29 N O3","Cc1ccccc1c2cccc3c(CCCOc4cccc5CCCCc45)c([nH]c23)C(O)=O;Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O","InChI=1S/C29H29NO3/c1-19-9-2-4-12-21(19)23-14-7-15-24-25(28(29(31)32)30-27(23)24)16-8-18-33-26-17-6-11-20-10-3-5-13-22(20)26/h2,4,6-7,9,11-12,14-15,17,30H,3,5,8,10,13,16,18H2,1H3,(H,31,32)","","2018-02-19","2018-12-21","7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid","2018-12-26"],["ZEA","(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol","C10 H13 N5 O","n2c1c(ncn1)c(nc2)NCC=C(/C)CO;CC(CO)=CCNc1ncnc2[nH]cnc12;CC(=CCNc1c2c([nH]cn2)ncn1)CO","InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+","TRANS-ZEATIN","2004-06-23","2021-03-01","(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol",""],["E4L","ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate","C18 H26 O5","CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC;CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC","InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3","ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate","2019-10-10","2020-10-09","ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate","2020-10-14"],["ZEB","4-HYDROXY-3,4-DIHYDRO-ZEBULARINE","C9 H14 N2 O6","O=C1NC(O)C=CN1C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C[CH](O)NC2=O;C1=CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O","InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4-8,12-15H,3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","(4R)-4-hydroxy-1-beta-D-ribofuranosyl-3,4-dihydropyrimidin-2(1H)-one",""],["E4M","1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol","C31 H44 N6 O16 P","O=C4C=5[N+]3=CN(c1ccc(cc1)CC(O)C(O)C(O)COC2OC(C(O)C2O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C(C)C3C(NC=5N=C(N)N4)C;C[CH]1NC2=C(C(=O)NC(=N2)N)[N+]3=CN([CH](C)[CH]13)c4ccc(C[CH](O)[CH](O)[CH](O)CO[CH]5O[CH](CO[P](O)(=O)O[CH](CCC(O)=O)C(O)=O)[CH](O)[CH]5O)cc4;CC1C2C(N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)CC(C(C(COC5C(C(C(O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C","InChI=1S/C31H43N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p+1/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1","","2009-09-08","2011-06-04","1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol",""],["E4N","TETRAETHYLAMMONIUM ION","C8 H20 N","CC[N+](CC)(CC)CC;CC[N+](CC)(CC)CC;CC[N+](CC)(CC)CC","InChI=1/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1","","1999-07-08","2008-10-14","N,N,N-triethylethanaminium",""],["ZEC","6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE","C7 H6 N2 O3 S2","O=S(=O)(c1nc2ccc(O)cc2s1)N;N[S](=O)(=O)c1sc2cc(O)ccc2n1;c1cc2c(cc1O)sc(n2)S(=O)(=O)N","InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)","","2005-09-13","2011-06-04","6-hydroxy-1,3-benzothiazole-2-sulfonamide",""],["ZED","L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S","C15 H19 N O3 S2","O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C)CS;C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2ccccc2;CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2","InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1","ZOFENOPRILAT","2005-11-11","2020-06-17","(4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-proline",""],["E4O","(2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide","C16 H18 Cl2 N4 O3","C[CH](O)[CH](N)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O;CC(C(C(=O)NCC=CCN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O","InChI=1S/C16H18Cl2N4O3/c1-9(23)14(19)15(24)20-4-2-3-5-22-8-21-13-7-12(18)11(17)6-10(13)16(22)25/h2-3,6-9,14,23H,4-5,19H2,1H3,(H,20,24)/b3-2+/t9-,14+/m1/s1","","2019-10-10","2020-01-10","(2~{S},3~{R})-2-azanyl-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide","2020-01-15"],["ZEE","beta-L-talopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6-/m0/s1","beta-L-talose; L-talose; talose; L-talopyranose","2012-12-17","2020-07-17","beta-L-talopyranose","2020-07-29"],["E4P","ERYTHOSE-4-PHOSPHATE","C4 H9 O7 P","O=P(O)(O)OCC(O)C(O)C=O;O[CH](CO[P](O)(O)=O)[CH](O)C=O;C(C(C(C=O)O)O)OP(=O)(O)O","InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1","","1999-07-08","2011-06-04","(2R,3R)-2,3-dihydroxy-4-oxobutyl dihydrogen phosphate",""],["ZEG","4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine","C19 H17 F N2 O3 S2","O=S(=O)(N1CCOCC1)c1ccc(cc1)c1csc(n1)c1ccc(F)cc1;Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O)N4CCOCC4;c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F","InChI=1S/C19H17FN2O3S2/c20-16-5-1-15(2-6-16)19-21-18(13-26-19)14-3-7-17(8-4-14)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2","","2021-04-15","2022-04-15","4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine","2022-04-20"],["E4Q","7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid","C34 H35 N5 O3 S","Cn1nc(CSCc2nn(C)c(C)c2c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(O)=O)cc1C;Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O","InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41)","","2018-02-19","2018-12-21","7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid","2018-12-26"],["ZEI","(2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide","C16 H14 Cl N O2","Clc1ccc(/C=C/C(=O)Nc2cccc(OC)c2)cc1;COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1;COc1cccc(c1)NC(=O)C=Cc2ccc(cc2)Cl","InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+","SB-366791","2023-03-08","2023-05-05","(2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide","2023-05-10"],["E4R","(3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol","C23 H34 O4","C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[C]3(O)CC[C]4(O)c5cocc5;CC12CCC(CC1CCC3C2CCC4(C3(CCC4(c5ccoc5)O)O)C)O","InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1","Rostafuroxin","2019-10-16","2021-03-01","(3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,14,17-triol","2020-09-02"],["ZEK","3-acetamido-N-methylbenzamide","C10 H12 N2 O2","O=C(C)Nc1cc(ccc1)C(=O)NC;CNC(=O)c1cccc(NC(C)=O)c1;CC(=O)Nc1cccc(c1)C(=O)NC","InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)","","2023-06-23","2024-09-27","3-acetamido-N-methylbenzamide","2023-07-12"],["E4S","5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide","C29 H27 F N6 O4 S","COc2c(S(Nc1c(cccc1)F)(=O)=O)cc(cn2)c3cc4c(cc3)nc(n4c5ccc(cc5)N6CCOCC6)N;COc1ncc(cc1[S](=O)(=O)Nc2ccccc2F)c3ccc4nc(N)n(c5ccc(cc5)N6CCOCC6)c4c3;COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F","InChI=1S/C29H27FN6O4S/c1-39-28-27(41(37,38)34-24-5-3-2-4-23(24)30)17-20(18-32-28)19-6-11-25-26(16-19)36(29(31)33-25)22-9-7-21(8-10-22)35-12-14-40-15-13-35/h2-11,16-18,34H,12-15H2,1H3,(H2,31,33)","","2017-12-04","2017-12-08","5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide","2017-12-13"],["E4T","5-methylcyclohexane-1,1,3,3-tetrol","C7 H14 O4","CC1CC(O)(O)CC(O)(O)C1;CC1CC(CC(C1)(O)O)(O)O","InChI=1S/C7H14O4/c1-5-2-6(8,9)4-7(10,11)3-5/h5,8-11H,2-4H2,1H3","","2018-02-19","2019-03-08","5-methylcyclohexane-1,1,3,3-tetrol","2019-03-13"],["ZEL","methyl beta-D-altropyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1","","2012-12-18","2020-07-17","methyl beta-D-altropyranoside","2020-07-29"],["ZEM","20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II)","C34 H32 N4 O5 Zn","CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C;Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O","InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;","ZN(II)-(20-OXO-PROTOPORPHYRIN IX)","2002-09-18","2023-09-23","",""],["E4U","[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid","C23 H26 B Cl2 N3 O4","CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3cc(Cl)ccc3Cl)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O","InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1","","2019-10-16","2020-08-21","[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid","2020-08-26"],["ZEN","[4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE","C25 H27 Cl N4 O3 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4CCN(c3ccncc3)CC4)CC5;Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5","InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2","","1999-08-24","2011-06-04","1-[(6-chloronaphthalen-2-yl)sulfonyl]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonyl]piperazine",""],["E4V","4-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine","C11 H10 N6","n1ccc2c1nc(cc2c3cnc(cn3)N)N;Nc1cnc(cn1)c2cc(N)nc3[nH]ccc23;c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N","InChI=1S/C11H10N6/c12-9-3-7(6-1-2-14-11(6)17-9)8-4-16-10(13)5-15-8/h1-5H,(H2,13,16)(H3,12,14,17)","","2017-12-04","2018-08-17","4-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine","2018-08-22"],["ZEP","N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide","C20 H21 F N2 O2 S2","CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Cc2ccccc2F)n1;CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Cc3ccccc3F)n2;CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F","InChI=1S/C20H21FN2O2S2/c1-3-23(4-2)27(24,25)17-11-9-15(10-12-17)19-14-26-20(22-19)13-16-7-5-6-8-18(16)21/h5-12,14H,3-4,13H2,1-2H3","","2021-04-15","2022-04-15","N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide","2022-04-20"],["E4W","AZD5991","C35 H34 Cl N5 O3 S2","Cn1nc2CSCc3cc(CSc4cc(OCCCc5c6ccc(Cl)c(c6n(C)c5C(O)=O)c2c1C)c7ccccc7c4)n(C)n3;Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl","InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)","","2018-02-19","2018-12-21","","2018-12-26"],["E4X","4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide","C21 H18 Br N3 O4 S","C[CH]([CH](N[S](=O)(=O)c1ccc(Br)cc1)C2=NNC(=O)O2)c3cccc4ccccc34;CC(c1cccc2c1cccc2)C(C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br","InChI=1S/C21H18BrN3O4S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)19(20-23-24-21(26)29-20)25-30(27,28)16-11-9-15(22)10-12-16/h2-13,19,25H,1H3,(H,24,26)/t13-,19+/m1/s1","","2019-10-16","2020-10-23","4-bromanyl-~{N}-[(1~{S},2~{R})-2-naphthalen-1-yl-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]benzenesulfonamide","2020-10-28"],["ZER","(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","C18 H22 O5","O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C;C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O","InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1","Zearalenone","2014-10-16","2020-06-17","(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","2014-11-26"],["ZES","[3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID","C17 H11 Br Cl F N2 O4","Brc1ccc(c(F)c1)CN3C(=O)c2c(cc(Cl)cc2)N(C3=O)CC(=O)O;OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3ccc(Cl)cc13;c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O","InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)","","2001-04-11","2011-06-04","[3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetic acid",""],["E4Y","(2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide","C30 H49 N3 O5","C2(CC(CCCCCN(C(=O)c1cc(cc(c1)OCC)C(N2)=O)CC)C)C(O)CC(C)C(NCCCC)=O;CCCCNC(=O)[CH](C)C[CH](O)[CH]1C[CH](C)CCCCCN(CC)C(=O)c2cc(OCC)cc(c2)C(=O)N1;CCCCNC(=O)C(C)CC(C1CC(CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O","InChI=1S/C30H49N3O5/c1-6-9-14-31-28(35)22(5)17-27(34)26-16-21(4)13-11-10-12-15-33(7-2)30(37)24-18-23(29(36)32-26)19-25(20-24)38-8-3/h18-22,26-27,34H,6-17H2,1-5H3,(H,31,35)(H,32,36)/t21-,22-,26+,27+/m1/s1","","2017-12-04","2020-05-29","(2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide","2020-06-03"],["ZEU","9-hydroxynonanoic acid","C9 H18 O3","O=C(O)CCCCCCCCO;OCCCCCCCCC(O)=O;C(CCCCO)CCCC(=O)O","InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)","","2012-12-18","2024-09-27","9-hydroxynonanoic acid","2019-06-19"],["E4Z","Baloxavir acid","C24 H19 F2 N3 O4 S","OC1=C2N(C=CC1=O)N([CH]3COCCN3C2=O)[CH]4c5ccc(F)c(F)c5CSc6ccccc46;c1ccc2c(c1)C(c3ccc(c(c3CS2)F)F)N4C5COCCN5C(=O)C6=C(C(=O)C=CN64)O","InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1","","2018-02-19","2018-07-06","(3~{R})-2-[(11~{S})-7,8-bis(fluoranyl)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-oxidanyl-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione","2018-07-11"],["ZEV","(2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H20 F2 N10 O9 P2 S2","NC1=Nc2c(ncn2C2OC3COP([O-])(=S)OC4C(F)C(OC4COP([O-])(=S)OC2C3F)n2cnc3c(N)ncnc32)C(=O)N1;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P]([O-])(=S)O[CH]5[CH](F)[CH](O[CH]5CO[P]([O-])(=S)O[CH]3[CH]4F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=S)(OC5C(C(COP(=S)(O4)[O-])OC5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N","InChI=1S/C20H22F2N10O9P2S2/c21-8-6-1-36-42(34,44)40-12-7(39-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-37-43(35,45)41-13(8)19(38-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,44)(H,35,45)(H2,23,25,26)(H3,24,29,30,33)/p-2/t6-,7-,8-,9+,12-,13-,18-,19-,42-,43-/m1/s1","","2021-04-15","2022-04-01","(2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanylidene)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-bis(olate)","2022-04-06"],["E50","2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C14 H14 Cl N3 O3 S2","O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1ncc(cn1)CC)c2;CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)nc1;CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl","InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21)","","2011-06-10","2012-04-06","2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide",""],["E51","(2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide","C26 H42 N2 O5 S","C1S(Cc2cc(CCC(CC(NC(C1C)=O)C(O)CC(C)C(NCCCC)=O)C)ccc2)(=O)=O;CCCCNC(=O)[CH](C)C[CH](O)[CH]1C[CH](C)CCc2cccc(C[S](=O)(=O)C[CH](C)C(=O)N1)c2;CCCCNC(=O)C(C)CC(C1CC(CCc2cccc(c2)CS(=O)(=O)CC(C(=O)N1)C)C)O","InChI=1S/C26H42N2O5S/c1-5-6-12-27-25(30)19(3)14-24(29)23-13-18(2)10-11-21-8-7-9-22(15-21)17-34(32,33)16-20(4)26(31)28-23/h7-9,15,18-20,23-24,29H,5-6,10-14,16-17H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,20-,23+,24+/m1/s1","","2017-12-04","2020-05-29","(2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide","2020-06-03"],["ZEX","(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol","C40 H56 O2","OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=CC(C)C(O)CC1(C)C)C)C)C)C)C(C)(C)C2)C;C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C[CH]1O;CC1C=C(C(CC1O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-25-34(6)38(42)28-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-33(5)26-36(41)27-40(37,9)10/h11-25,34,36,38,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,36-,38+/m0/s1","","2005-09-06","2017-10-30","(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol",""],["E52","Methylated Ruthenium Pyridocarbazole","C29 H23 F N4 O7 Ru","CN1C(=O)c2c3cc(F)cnc3c4n([Ru]C5(C=CC=C5)C(=O)NC(C)(CO)CO)c6ccc(O)cc6c4c2C1=O.[C-]#[O+];CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O","InChI=1S/C18H10FN3O3.C10H14NO3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16;1-10(6-12,7-13)11-9(14)8-4-2-3-5-8;1-2;/h2-6H,1H3,(H2,20,21,23,24,25);2-5,12-13H,6-7H2,1H3,(H,11,14);;/q;;;+1/p-1","","2008-04-22","2023-09-23","",""],["ZEZ","(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol","C10 H13 N5 O","n2c1c(ncn1)c(nc2)NC/C=C(/C)CO;CC(CO)=CCNc1ncnc2[nH]cnc12;CC(=CCNc1c2c([nH]cn2)ncn1)CO","InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-","CIS-ZEATIN","2008-03-03","2021-03-01","(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol",""],["E53","Everolimus","C53 H83 N O14","CO[CH]1C[CH](CC[CH]1OCCO)C[CH](C)[CH]2CC(=O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC;CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC","InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11-,16-12-,33-17-,37-27+/t32-,34-,35+,36-,38+,39+,40-,41-,43-,44-,45+,46+,48-,49-,53+/m1/s1","(1S,9R,12S,15R,16E,18R,19S,21R,23S,24Z,26Z,28Z,30R,32R,35S)-12-[(2S)-1-[(1S,3S,4R)-4-(2-hydroxyethyloxy)-3-methoxy-cyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-1,18-bis(oxidanyl)-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone","2019-10-16","2021-03-13","(1~{S},9~{R},12~{S},15~{R},16~{E},18~{R},19~{S},21~{R},23~{S},24~{Z},26~{Z},28~{Z},30~{R},32~{R},35~{S})-12-[(2~{S})-1-[(1~{S},3~{S},4~{R})-4-(2-hydroxyethyloxy)-3-methoxy-cyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-1,18-bis(oxidanyl)-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone","2020-09-16"],["ZF0","1-(3-methylphenyl)methanamine","C8 H11 N","NCc1cccc(c1)C;Cc1cccc(CN)c1;Cc1cccc(c1)CN","InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3","","2010-11-15","2012-01-13","1-(3-methylphenyl)methanamine",""],["E55","3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE","C66 H126 N2 O19 P2","O=P(OC1OC(C(O)C(OCCCCCCCCCC)C1NC(=O)CC(=O)CCCCCCCCCCC)COC2OC(COC)C(OP(=O)(O)O)C(OCCC(OC)CCCCCCC)C2NC(=O)CCCCCCCCCC=C/CCCCCC)(O)O;CCCCCCCCCCCC(=O)CC(=O)N[CH]1[CH](O[CH](CO[CH]2O[CH](COC)[CH](O[P](O)(O)=O)[CH](OCC[CH](CCCCCCC)OC)[CH]2NC(=O)CCCCCCCCCC=CCCCCCC)[CH](O)[CH]1OCCCCCCCCCC)O[P](O)(O)=O;CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC","InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1","E5564; ERITORAN","2007-08-01","2020-05-27","3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphono-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose",""],["ZF1","7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","C15 H10 O4","O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3;Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O;c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O","InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H","","2012-12-18","2022-01-21","7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","2022-01-26"],["ZF7","(1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid","C28 H31 F6 N O3","FC(F)(F)C1CCC(CC1)Oc1ccc2ccc(cc2c1C(F)(F)F)C(C)N1C2CC(CC1CC2)C(=O)O;C[CH](N1[CH]2CC[CH]1C[CH](C2)C(O)=O)c3ccc4ccc(O[CH]5CC[CH](CC5)C(F)(F)F)c(c4c3)C(F)(F)F;CC(c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4C5CCC4CC(C5)C(=O)O","InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18-,19-,20+,21-,22+/m0/s1","BIO-32546","2021-04-16","2022-04-08","(1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid","2022-04-13"],["E56","3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile","C21 H18 Cl N7","Clc1cc2[nH]nc(c3cnn(c3)c4cccc(c4)C#N)c2cc1N[CH]5CCNC5;c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)NC5CCNC5)C#N","InChI=1S/C21H18ClN7/c22-18-8-19-17(7-20(18)26-15-4-5-24-11-15)21(28-27-19)14-10-25-29(12-14)16-3-1-2-13(6-16)9-23/h1-3,6-8,10,12,15,24,26H,4-5,11H2,(H,27,28)/t15-/m1/s1","","2019-10-16","2021-10-08","3-[4-[6-chloranyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]-1~{H}-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile","2021-10-13"],["E57","N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide","C22 H26 Cl N5 O3","Clc1cccc(c1)C(NC(=O)c3cc(c2nc(ncc2C)NC(CC)CO)cn3)CO;CC[CH](CO)Nc1ncc(C)c(n1)c2c[nH]c(c2)C(=O)N[CH](CO)c3cccc(Cl)c3;CCC(CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)NC(CO)c3cccc(c3)Cl)C","InChI=1S/C22H26ClN5O3/c1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(31)27-19(12-30)14-5-4-6-16(23)7-14/h4-10,17,19,24,29-30H,3,11-12H2,1-2H3,(H,27,31)(H,25,26,28)/t17-,19+/m0/s1","","2012-07-09","2012-08-24","N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide","2012-08-24"],["ZF9","adenosine 5'-hexaphosphate","C10 H19 N5 O22 P6","O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H19N5O22P6/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(32-10)1-31-39(21,22)34-41(25,26)36-43(29,30)37-42(27,28)35-40(23,24)33-38(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","2023-03-09","2024-03-08","5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine","2024-03-13"],["E58","(2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate","C14 H11 N O8","COC(=O)c1ccc(OC(=O)c2oc(cc2)[N+]([O-])=O)c(OC)c1;COc1cc(ccc1OC(=O)c2ccc(o2)[N+](=O)[O-])C(=O)OC","InChI=1S/C14H11NO8/c1-20-11-7-8(13(16)21-2)3-4-9(11)23-14(17)10-5-6-12(22-10)15(18)19/h3-7H,1-2H3","","2022-04-18","2022-04-22","(2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate","2022-04-27"],["ZFB","(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM","C18 H18 N3 O3","N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2;O=C(N[CH](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2;c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2ccccc2","InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1","","2003-07-07","2024-09-27","(3R)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium",""],["E59","4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C13 H13 N3 O4 S2","O=C2C=C(N=C(SCC(=O)c1ccc(cc1)S(=O)(=O)N)N2)C;CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)[S](N)(=O)=O;CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C13H13N3O4S2/c1-8-6-12(18)16-13(15-8)21-7-11(17)9-2-4-10(5-3-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)","","2011-06-08","2012-04-06","4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide",""],["ZFC","undecan-1-ol","C11 H24 O","OCCCCCCCCCCC;CCCCCCCCCCCO;CCCCCCCCCCCO","InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3","","2013-01-06","2022-10-14","undecan-1-ol","2022-10-19"],["E5A","(10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione","C30 H43 N3 O4","C3(N(C(CCCCCOc1cc(ccc1)CC(C(CNCc2cc(ccc2)C(C)C)O)NC3=O)=O)C)C;CC(C)c1cccc(CNC[CH](O)[CH]2Cc3cccc(OCCCCCC(=O)N(C)[CH](C)C(=O)N2)c3)c1;CC1C(=O)NC(Cc2cccc(c2)OCCCCCC(=O)N1C)C(CNCc3cccc(c3)C(C)C)O","InChI=1S/C30H43N3O4/c1-21(2)25-12-8-11-24(16-25)19-31-20-28(34)27-18-23-10-9-13-26(17-23)37-15-7-5-6-14-29(35)33(4)22(3)30(36)32-27/h8-13,16-17,21-22,27-28,31,34H,5-7,14-15,18-20H2,1-4H3,(H,32,36)/t22-,27-,28+/m0/s1","","2017-12-04","2020-05-29","(10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione","2020-06-03"],["ZFG","4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline","C16 H19 N S","C/C(=CC)c1ccc(s1)c1ccc(cc1)N(C)C;CC=C(C)c1sc(cc1)c2ccc(cc2)N(C)C;CC=C(C)c1ccc(s1)c2ccc(cc2)N(C)C","InChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+","","2021-04-16","2024-09-27","4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline","2022-01-12"],["ZFI","N-[2-(methanesulfonyl)phenyl]acetamide","C9 H11 N O3 S","O=S(C)(=O)c1ccccc1NC(C)=O;CC(=O)Nc1ccccc1[S](C)(=O)=O;CC(=O)Nc1ccccc1S(=O)(=O)C","InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)","","2023-06-23","2024-09-27","N-[2-(methanesulfonyl)phenyl]acetamide","2023-07-12"],["E5B","(8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C21 H28 N6 O2","CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1;CC(C)(C)c1ccc(CNc2nn3C(=O)C=C(CN4CCOCC4)Nc3n2)cc1;CC(C)(C)c1ccc(cc1)CNc2nc3n(n2)C(=O)C=C(N3)CN4CCOCC4","InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25)","","2021-12-02","2022-09-30","(8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2022-10-05"],["ZFJ","(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine","C22 H27 N","CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)C=CC;CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1;CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(C)C","InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+","","2021-04-16","2024-09-27","(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine","2022-01-12"],["E5C","(3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","C17 H23 N O4","CC[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2;CCC1CCCN(C1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C17H23NO4/c1-2-11-4-3-5-18(9-11)10-14-7-12-6-13(19)8-15(20)16(12)17(21)22-14/h6,8,11,14,19-20H,2-5,7,9-10H2,1H3/t11-,14+/m0/s1","","2019-10-17","2021-05-14","(3~{R})-3-[[(3~{S})-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","2021-05-19"],["E5D","(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione","C31 H45 N3 O3","CCN1CCCCCC(C)CC(NC(c2cc(C1=O)ccc2)=O)C(CNCc3cc(ccc3)C(C)C)O;CCN1CCCCC[CH](C)C[CH](NC(=O)c2cccc(c2)C1=O)[CH](O)CNCc3cccc(c3)C(C)C;CCN1CCCCCC(CC(NC(=O)c2cccc(c2)C1=O)C(CNCc3cccc(c3)C(C)C)O)C","InChI=1S/C31H45N3O3/c1-5-34-16-8-6-7-11-23(4)17-28(33-30(36)26-14-10-15-27(19-26)31(34)37)29(35)21-32-20-24-12-9-13-25(18-24)22(2)3/h9-10,12-15,18-19,22-23,28-29,32,35H,5-8,11,16-17,20-21H2,1-4H3,(H,33,36)/t23-,28+,29-/m1/s1","","2017-12-04","2020-05-29","(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione","2020-06-03"],["ZFP","1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine","C17 H19 N S","C/C(=CC)c1ccc(s1)c1ccc(cc1)N1CCC1;CC=C(C)c1sc(cc1)c2ccc(cc2)N3CCC3;CC=C(C)c1ccc(s1)c2ccc(cc2)N3CCC3","InChI=1S/C17H19NS/c1-3-13(2)16-9-10-17(19-16)14-5-7-15(8-6-14)18-11-4-12-18/h3,5-10H,4,11-12H2,1-2H3/b13-3+","","2021-04-17","2024-09-27","1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine","2022-01-12"],["ZFR","(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one","C17 H24 O4","c1c(O)cc(cc1C=CCCCC(=O)CCCC(O)C)O;C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1;CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O","InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1","","2015-06-29","2016-06-24","(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one","2016-06-29"],["E5E","Noradrenaline","C8 H12 N O3","[NH3+]C[CH](O)c1ccc(O)c(O)c1;c1cc(c(cc1C(C[NH3+])O)O)O","InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1","","2018-02-19","2018-02-23","[(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium","2018-02-28"],["ZFS","N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide","C21 H17 F3 N4 O3","O=C(NC)c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2)ccn1;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ccn1;CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C21H17F3N4O3/c1-25-19(29)18-12-17(9-10-26-18)31-16-7-5-14(6-8-16)27-20(30)28-15-4-2-3-13(11-15)21(22,23)24/h2-12H,1H3,(H,25,29)(H2,27,28,30)","","2021-04-19","2021-11-05","N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide","2021-11-10"],["E5G","5-hydroxypentyl alpha-D-glucopyranoside","C11 H22 O7","O(CCCCCO)C1OC(C(O)C(O)C1O)CO;OCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(CCO)CCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C11H22O7/c12-4-2-1-3-5-17-11-10(16)9(15)8(14)7(6-13)18-11/h7-16H,1-6H2/t7-,8-,9+,10-,11+/m1/s1","5-hydroxypentyl alpha-D-glucoside; 5-hydroxypentyl D-glucoside; 5-hydroxypentyl glucoside","2012-01-11","2020-07-17","5-hydroxypentyl alpha-D-glucopyranoside",""],["ZFW","4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine","C25 H34 Cl N5 O7","CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O;CC(C)Oc1cc(C2CCN(CC2)[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O)=O)c(C)cc1Nc4ncc(Cl)c(N)n4;Cc1cc(c(cc1C2CCN(CC2)C3C(C(C(C(O3)C(=O)O)O)O)O)OC(C)C)Nc4ncc(c(n4)N)Cl","InChI=1S/C25H34ClN5O7/c1-11(2)37-17-9-14(12(3)8-16(17)29-25-28-10-15(26)22(27)30-25)13-4-6-31(7-5-13)23-20(34)18(32)19(33)21(38-23)24(35)36/h8-11,13,18-21,23,32-34H,4-7H2,1-3H3,(H,35,36)(H3,27,28,29,30)/t18-,19-,20+,21-,23+/m0/s1","","2023-03-09","2024-02-09","4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine","2024-02-14"],["E5H","2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide","C22 H28 N2 O2","O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3;c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3","InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)","","2018-02-20","2018-10-26","2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide","2018-10-31"],["E5I","(1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone","C29 H38 N2 O6","CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCC[CH](O)[CH]5NC(=O)C(=C(O)C=C[CH]4CC(=O)[CH]3[CH]2[CH]1C)C5=O;CCC1CC2CC3C4CC=CC(=O)NCCC(C5C(=O)C(=C(C=CC4CC(=O)C3C2C1C)O)C(=O)N5)O","InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20-/t14-,15+,16+,17+,18-,19+,21-,24+,25-,27-/m0/s1","10-Epi-maltophilin","2023-06-14","2023-11-10","","2023-11-15"],["ZFY","2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide","C20 H19 F3 N6 O3 S2","O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F)C1CC1;CC(C)(C(=O)Nc1ccc(cn1)c2cncc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n3;CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F","InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)","","2021-04-19","2021-10-08","2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide","2021-10-13"],["ZG0","N-(3-methylphenyl)acetamide","C9 H11 N O","O=C(C)Nc1cc(C)ccc1;CC(=O)Nc1cccc(C)c1;Cc1cccc(c1)NC(=O)C","InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)","","2023-06-23","2024-09-27","N-(3-methylphenyl)acetamide","2023-07-12"],["E5J","5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine","C26 H34 Cl N6 O2 P","C1N(CCC(N(C)C)C1)c2ccc(c(c2)OC)Nc4nc(Nc3c(P(C)(=O)C)cccc3)c(Cl)cn4;COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3[P](C)(C)=O)n2)N4CCC(CC4)N(C)C;CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl","InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)","","2017-12-04","2017-12-08","5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine","2017-12-13"],["E5K","1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone","C26 H35 N3 O3","CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(OC)cc4;CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC","InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3","","2018-02-20","2018-10-26","1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone","2018-10-31"],["ZG1","1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine","C21 H27 N7 O3","O=C(N1CCCC1)Cc2nc(on2)c4c(NC3CCOCC3)c5cnn(c5nc4)CC;CCn1ncc2c(NC3CCOCC3)c(cnc12)c4onc(CC(=O)N5CCCC5)n4;CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5","InChI=1S/C21H27N7O3/c1-2-28-20-15(13-23-28)19(24-14-5-9-30-10-6-14)16(12-22-20)21-25-17(26-31-21)11-18(29)27-7-3-4-8-27/h12-14H,2-11H2,1H3,(H,22,24)","","2010-07-29","2011-07-29","2-{5-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl}-1-(pyrrolidin-1-yl)ethanone",""],["E5L","2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide","C23 H39 N O4","CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC;CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC","InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)","","2019-10-18","2020-04-24","2,2-dimethyl-~{N}-(2,4,6-trimethoxyphenyl)dodecanamide","2020-04-29"],["ZG2","5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine","C29 H34 N6 O3","O=C(N1CCCC1)Cc2nc(oc2Cc3ccccc3)c4c(c5c(nc4)n(nc5)CC)NC6CCOCC6;CCn1ncc2c(NC3CCOCC3)c(cnc12)c4oc(Cc5ccccc5)c(CC(=O)N6CCCC6)n4;CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6","InChI=1S/C29H34N6O3/c1-2-35-28-22(19-31-35)27(32-21-10-14-37-15-11-21)23(18-30-28)29-33-24(17-26(36)34-12-6-7-13-34)25(38-29)16-20-8-4-3-5-9-20/h3-5,8-9,18-19,21H,2,6-7,10-17H2,1H3,(H,30,32)","","2010-07-29","2011-07-29","2-{5-benzyl-2-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(pyrrolidin-1-yl)ethanone",""],["ZG4","N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide","C21 H22 N6 O4 S2","O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(cn2)c2cncc(OCC)n2)CC1)C1CC1;CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(N[S](=O)(=O)C5CC5)n4;CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5","InChI=1S/C21H22N6O4S2/c1-2-31-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-32-20(25-17)27-33(29,30)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28)","","2021-04-19","2021-10-08","N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide","2021-10-13"],["E5M","(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one","C15 H15 F2 N5 O2","c23cnc(Nc1cc(F)c(c(c1)F)O)nc2N(C(C(N3C)=O)C)C;C[CH]1N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C1=O;CC1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C","InChI=1S/C15H15F2N5O2/c1-7-14(24)22(3)11-6-18-15(20-13(11)21(7)2)19-8-4-9(16)12(23)10(17)5-8/h4-7,23H,1-3H3,(H,18,19,20)/t7-/m0/s1","","2017-12-04","2017-12-08","(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one","2017-12-13"],["E5N","(2~{R})-2-methylpentanedioic acid","C6 H10 O4","C[CH](CCC(O)=O)C(O)=O;CC(CCC(=O)O)C(=O)O","InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1","","2018-02-20","2019-01-25","(2~{R})-2-methylpentanedioic acid","2019-01-30"],["ZG5","11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine","C23 H25 N3 O6 S","O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2ccccc21;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35;c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)O","InChI=1S/C23H25N3O6S/c27-17-18(28)20(23(30)31)32-22(19(17)29)26-11-9-25(10-12-26)21-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)24-21/h1-8,17-20,22,27-29H,9-12H2,(H,30,31)/t17-,18-,19+,20-,22+/m0/s1","","2023-03-09","2024-03-15","11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine","2024-03-20"],["E5O","2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine","C11 H16 Br Cu N5 S","CCc1ncc[n+]2c1C(=[N+]3N=C(S[Cu--]23Br)N(C)C)C;CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br","InChI=1S/C11H17N5S.BrH.Cu/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4;;/h6-7H,5H2,1-4H3,(H,15,17);1H;/q;;+2/p-2/b14-8+;;","","2019-10-18","2025-11-11","2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine","2020-10-21"],["ZG6","N-(3-methyl-1,2-oxazol-5-yl)acetamide","C6 H8 N2 O2","O=C(C)Nc1cc(C)no1;CC(=O)Nc1onc(C)c1;Cc1cc(on1)NC(=O)C","InChI=1S/C6H8N2O2/c1-4-3-6(10-8-4)7-5(2)9/h3H,1-2H3,(H,7,9)","","2023-06-23","2024-09-27","N-(3-methyl-1,2-oxazol-5-yl)acetamide","2023-07-12"],["E5P","(9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione","C40 H50 N4 O4","C3(CC(CCCCCN(C(=O)c1cc(cc(c1)c2ncco2)C(N3)=O)C(C)c4ccccc4)C)C(CNCc5cc(ccc5)C(C)C)O;C[CH]1CCCCCN([CH](C)c2ccccc2)C(=O)c3cc(cc(c3)c4occn4)C(=O)N[CH](C1)[CH](O)CNCc5cccc(c5)C(C)C;CC1CCCCCN(C(=O)c2cc(cc(c2)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O)c4ncco4)C(C)c5ccccc5","InChI=1S/C40H50N4O4/c1-27(2)32-16-11-13-30(21-32)25-41-26-37(45)36-20-28(3)12-7-6-10-18-44(29(4)31-14-8-5-9-15-31)40(47)35-23-33(38(46)43-36)22-34(24-35)39-42-17-19-48-39/h5,8-9,11,13-17,19,21-24,27-29,36-37,41,45H,6-7,10,12,18,20,25-26H2,1-4H3,(H,43,46)/t28-,29-,36+,37-/m1/s1","","2017-12-04","2020-05-29","(9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione","2020-06-03"],["ZG7","(8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile","C22 H14 Br Cl N4 O2","Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)Oc1cccc(Br)c1;Oc1n2nc(c(C#N)c2ncc1Oc3cccc(Br)c3)C4(CC4)c5ccc(Cl)cc5;c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N","InChI=1S/C22H14BrClN4O2/c23-14-2-1-3-16(10-14)30-18-12-26-20-17(11-25)19(27-28(20)21(18)29)22(8-9-22)13-4-6-15(24)7-5-13/h1-7,10,12,29H,8-9H2","","2021-04-19","2021-05-21","(8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile","2021-05-26"],["ZG9","[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside","C14 H25 N O8","CC(=O)NC1C(O)C(O)C(COC)OC1OCC1COCCO1;COC[CH]1O[CH](OC[CH]2COCCO2)[CH](NC(C)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1OCC2COCCO2)COC)O)O","InChI=1S/C14H25NO8/c1-8(16)15-11-13(18)12(17)10(7-19-2)23-14(11)22-6-9-5-20-3-4-21-9/h9-14,17-18H,3-7H2,1-2H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1","","2023-03-09","2023-05-19","[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside","2023-05-24"],["E5Q","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol","C17 H16 N2 O3","Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3;Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O","InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m0/s1","","2018-02-20","2018-04-13","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol","2018-04-18"],["E5R","(3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","C16 H21 N O4","C[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2;CC1CCCN(C1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C16H21NO4/c1-10-3-2-4-17(8-10)9-13-6-11-5-12(18)7-14(19)15(11)16(20)21-13/h5,7,10,13,18-19H,2-4,6,8-9H2,1H3/t10-,13-/m1/s1","","2019-10-21","2021-05-14","(3~{R})-3-[[(3~{R})-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","2021-05-19"],["ZGA","Zaragozic acid A","C35 H46 O14","O=C(O)C1(O)C(OC2(OC1(C(=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(=C)C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O;CC[CH](C)C[CH](C)C=CC(=O)O[CH]1[CH](O)[C]2(CCC(=C)[CH](OC(C)=O)[CH](C)Cc3ccccc3)O[CH](C(O)=O)[C](O)(C(O)=O)[C]1(O2)C(O)=O;CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)Cc3ccccc3)OC(=O)C)O","InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1","(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno\nyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid","2011-10-27","2020-06-17","(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name)",""],["E5S","(3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol","C26 H31 N3 O3","OC5(C#Cc1ccc(nc1Cc2ccccc2)N3CC(O)C(OC)C3)C4CCN(CC4)C5;CO[CH]1CN(C[CH]1O)c2ccc(C#C[C]3(O)CN4CCC3CC4)c(Cc5ccccc5)n2;COC1CN(CC1O)c2ccc(c(n2)Cc3ccccc3)C#CC4(CN5CCC4CC5)O","InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m1/s1","","2013-06-13","2014-06-13","(3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol","2014-06-18"],["ZGB","3-(4-methoxy-3-methylphenyl)propanoic acid","C11 H14 O3","O=C(O)CCc1ccc(OC)c(c1)C;COc1ccc(CCC(O)=O)cc1C;Cc1cc(ccc1OC)CCC(=O)O","InChI=1S/C11H14O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)","","2010-11-15","2011-06-04","3-(4-methoxy-3-methylphenyl)propanoic acid",""],["ZGC","3-(4-methoxyphenyl)propanoic acid","C10 H12 O3","O=C(O)CCc1ccc(OC)cc1;COc1ccc(CCC(O)=O)cc1;COc1ccc(cc1)CCC(=O)O","InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)","","2010-11-15","2011-06-04","3-(4-methoxyphenyl)propanoic acid",""],["E5T","3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol","C15 H17 N O3","Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)C3CC3;Cc1c(c(on1)C)c2cc(cc(c2)O)C(C3CC3)O","InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3/t15-/m1/s1","","2018-02-20","2018-04-13","3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol","2018-04-18"],["E5U","2-methoxypropanedioic acid","C4 H6 O5","COC(C(O)=O)C(O)=O;COC(C(=O)O)C(=O)O","InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)","","2019-10-23","2024-09-27","2-methoxypropanedioic acid","2019-12-18"],["ZGD","N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea","C19 H14 Cl2 F3 N5 O2","CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2Cl)ncn1;CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1;CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl","InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)","","2021-04-19","2021-11-05","N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea","2021-11-10"],["ZGE","5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid","C12 H19 F N4 O7","O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O;CC(=O)N[CH]1[CH](NC(N)=N)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)F;CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)F)NC(=N)N","InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1","(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb\noxylic acid","2012-10-31","2024-09-27","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid","2013-05-01"],["E5V","(4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","C28 H39 N3 O6","COCC4OCC(C(C2Cc3cccc(OCCCCNc1cc(COC)cc(c1)C(N2)=O)c3)O)NC4;COC[CH]1CN[CH](CO1)[CH](O)[CH]2Cc3cccc(OCCCCNc4cc(COC)cc(c4)C(=O)N2)c3;COCc1cc2cc(c1)NCCCCOc3cccc(c3)CC(NC2=O)C(C4COC(CN4)COC)O","InChI=1S/C28H39N3O6/c1-34-16-20-10-21-14-22(11-20)29-8-3-4-9-36-23-7-5-6-19(12-23)13-25(31-28(21)33)27(32)26-18-37-24(15-30-26)17-35-2/h5-7,10-12,14,24-27,29-30,32H,3-4,8-9,13,15-18H2,1-2H3,(H,31,33)/t24-,25+,26-,27+/m1/s1","","2017-12-04","2020-05-29","(4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","2020-06-03"],["E5W","3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol","C17 H20 F2 N2 O2","Cc1onc(C)c1c2cc(O)cc(CN3CCC(F)(F)CC3)c2;Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F","InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3","","2018-02-20","2018-04-13","3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol","2018-04-18"],["ZGF","N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide","C9 H8 Cl N O3","CC(=O)Nc1cc2OCOc2cc1Cl;CC(=O)Nc1cc2OCOc2cc1Cl;CC(=O)Nc1cc2c(cc1Cl)OCO2","InChI=1S/C9H8ClNO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)","","2023-06-23","2024-09-27","N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide","2023-07-12"],["ZGG","8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene","C27 H27 N2 O","COc1ccccc1n1cc([n+]2CCCCCc21)c1ccc(cc1)c1ccccc1;COc1ccccc1n2cc(c3ccc(cc3)c4ccccc4)[n+]5CCCCCc25;COc1ccccc1n2cc([n+]3c2CCCCC3)c4ccc(cc4)c5ccccc5","InChI=1S/C27H27N2O/c1-30-26-13-8-7-12-24(26)29-20-25(28-19-9-3-6-14-27(28)29)23-17-15-22(16-18-23)21-10-4-2-5-11-21/h2,4-5,7-8,10-13,15-18,20H,3,6,9,14,19H2,1H3/q+1","","2021-04-20","2022-06-03","3-([1,1'-biphenyl]-4-yl)-1-(2-methoxyphenyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium","2022-06-08"],["E5X","4-(hydroxymethyl)benzoic acid","C8 H8 O3","OCc1ccc(cc1)C(O)=O;c1cc(ccc1CO)C(=O)O","InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)","","2019-10-24","2024-09-27","4-(hydroxymethyl)benzoic acid","2020-07-15"],["E5Y","(5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione","C25 H45 N5 O4","c2(CNCC(C1CC(CCCCCCOCC(=O)N(C(C(N1)=O)C)C)C)O)cc(CCC)nn2;CCCc1[nH]nc(CNC[CH](O)[CH]2C[CH](C)CCCCCCOCC(=O)N(C)[CH](C)C(=O)N2)c1;CCCc1cc(n[nH]1)CNCC(C2CC(CCCCCCOCC(=O)N(C(C(=O)N2)C)C)C)O","InChI=1S/C25H45N5O4/c1-5-10-20-14-21(29-28-20)15-26-16-23(31)22-13-18(2)11-8-6-7-9-12-34-17-24(32)30(4)19(3)25(33)27-22/h14,18-19,22-23,26,31H,5-13,15-17H2,1-4H3,(H,27,33)(H,28,29)/t18-,19+,22+,23-/m1/s1","","2017-12-04","2020-05-29","(5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione","2020-06-03"],["ZGI","(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C33 H46 N6 O5 S","CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C(=O)c4sc5ccccc5n4)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(=O)c4nc5ccccc5s4)C","InChI=1S/C33H46N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-23,25H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,25+/m0/s1","","2023-03-09","2023-07-07","(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-07-12"],["ZGJ","3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine","C26 H26 N3 O","COc1ccccc1c1c[n+](c2NCCCCn21)c1ccc(cc1)c1ccccc1;COc1ccccc1c2c[n+](c3NCCCCn23)c4ccc(cc4)c5ccccc5;COc1ccccc1c2c[n+](c3n2CCCCN3)c4ccc(cc4)c5ccccc5","InChI=1S/C26H25N3O/c1-30-25-12-6-5-11-23(25)24-19-29(26-27-17-7-8-18-28(24)26)22-15-13-21(14-16-22)20-9-3-2-4-10-20/h2-6,9-16,19H,7-8,17-18H2,1H3/p+1","","2021-04-20","2022-06-03","(4R)-1-([1,1'-biphenyl]-4-yl)-3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepin-1-ium","2022-06-08"],["E5Z","~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide","C15 H17 N5 O4 S","N[S](=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N=CCc2[nH]cnc2;c1cc(ccc1C(=O)NCCC(=O)N=CCc2cnc[nH]2)S(=O)(=O)N","InChI=1S/C15H17N5O4S/c16-25(23,24)13-3-1-11(2-4-13)15(22)19-8-6-14(21)18-7-5-12-9-17-10-20-12/h1-4,7,9-10H,5-6,8H2,(H,17,20)(H,19,22)(H2,16,23,24)/b18-7+","","2018-02-20","2020-08-21","~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide","2020-08-26"],["E60","2-sulfanylidene-1,3-thiazolidin-4-one","C3 H3 N O S2","O=C1CSC(=S)N1;C1C(=O)NC(=S)S1","InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)","","2019-10-24","2020-07-10","2-sulfanylidene-1,3-thiazolidin-4-one","2020-07-15"],["ZGK","N-(2-methoxyphenyl)acetamide","C9 H11 N O2","COc1ccccc1NC(C)=O;COc1ccccc1NC(C)=O;CC(=O)Nc1ccccc1OC","InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)","","2023-06-23","2023-07-07","N-(2-methoxyphenyl)acetamide","2023-07-12"],["ZGL","D-alpha-glutamine","C5 H10 N2 O3","O=C(N)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(N)=O;C(CC(=O)O)C(C(=O)N)N","InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1","Iso-D-glutamine","2011-10-27","2024-09-27","D-alpha-glutamine",""],["E61","(10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one","C31 H47 N3 O4","C2(CC(CCOCCCCNc1cc(cc(c1)COC)C(N2)=O)C)C(CNCc3cc(ccc3)C(C)C)O;COCc1cc2NCCCCOCC[CH](C)C[CH](NC(=O)c(c1)c2)[CH](O)CNCc3cccc(c3)C(C)C;CC1CCOCCCCNc2cc(cc(c2)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O)COC","InChI=1S/C31H47N3O4/c1-22(2)26-9-7-8-24(15-26)19-32-20-30(35)29-14-23(3)10-13-38-12-6-5-11-33-28-17-25(21-37-4)16-27(18-28)31(36)34-29/h7-9,15-18,22-23,29-30,32-33,35H,5-6,10-14,19-21H2,1-4H3,(H,34,36)/t23-,29+,30-/m1/s1","","2017-12-04","2020-05-29","(10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one","2020-06-03"],["ZGM","(4S)-4-hydroxy-2-oxoheptanedioic acid","C7 H10 O6","O=C(CC(O)CCC(O)=O)C(=O)O;O[CH](CCC(O)=O)CC(=O)C(O)=O;C(CC(=O)O)C(CC(=O)C(=O)O)O","InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1","","2021-04-20","2024-09-27","(4S)-4-hydroxy-2-oxoheptanedioic acid","2021-07-14"],["E62","(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","C20 H27 N O6","CC1C(OC(c2c(C=CCC(C(C(CC1)=O)O)O)cc(NC)cc2O)=O)C;CNc1cc(O)c2C(=O)O[CH](C)[CH](C)CCC(=O)[CH](O)[CH](O)CC=Cc2c1;CC1CCC(=O)C(C(CC=Cc2cc(cc(c2C(=O)OC1C)O)NC)O)O","InChI=1S/C20H27NO6/c1-11-7-8-16(23)19(25)15(22)6-4-5-13-9-14(21-3)10-17(24)18(13)20(26)27-12(11)2/h4-5,9-12,15,19,21-22,24-25H,6-8H2,1-3H3/b5-4+/t11-,12+,15+,19+/m1/s1","","2016-02-08","2024-09-27","(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","2017-05-03"],["ZGO","(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C33 H54 N6 O6 S","CC1(C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C;CC(C)(C)[CH](NC(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)C3(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CCNC4=O)C#N)C","InChI=1S/C33H54N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h20-25H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/t20-,21-,22-,23-,24-,25+/m0/s1","","2023-03-09","2023-07-07","(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-07-12"],["E63","6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one","C23 H21 N9 O","O=C2c1ccc(cc1NN2)Nc6nc(Nc3cc(nn3)C4CC4)c(Nc5ccccc5)cn6;O=C1NNc2cc(Nc3ncc(Nc4ccccc4)c(Nc5[nH]nc(c5)C6CC6)n3)ccc12;c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O","InChI=1S/C23H21N9O/c33-22-16-9-8-15(10-18(16)30-32-22)26-23-24-12-19(25-14-4-2-1-3-5-14)21(28-23)27-20-11-17(29-31-20)13-6-7-13/h1-5,8-13,25H,6-7H2,(H2,30,32,33)(H3,24,26,27,28,29,31)","","2012-07-09","2012-08-24","6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one","2012-08-24"],["E64","N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE","C15 H30 N5 O5","O=C(O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[NH2+])N)CC(C)C;CC(C)C[CH](NC(=O)[CH](O)CC(O)=O)C(=O)NCCCCNC(N)=[NH2+];CC(C)CC(C(=O)NCCCCNC(=[NH2+])N)NC(=O)C(CC(=O)O)O","InChI=1S/C15H29N5O5/c1-9(2)7-10(20-14(25)11(21)8-12(22)23)13(24)18-5-3-4-6-19-15(16)17/h9-11,21H,3-8H2,1-2H3,(H,18,24)(H,20,25)(H,22,23)(H4,16,17,19)/p+1/t10-,11-/m0/s1","","1999-07-08","2024-09-27","amino{[4-({N-[(2S)-3-carboxy-2-hydroxypropanoyl]-L-leucyl}amino)butyl]amino}methaniminium",""],["ZGP","5'-O-[(R)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine","C19 H23 N6 O10 P S","O=C(S)Cc4nc(O)c(c(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C;Cc1c(O)nc(CC(S)=O)c(C)c1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N;Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S","InChI=1S/C19H23N6O10PS/c1-6-8(3-10(26)37)22-16(29)7(2)14(6)35-36(31,32)33-4-9-12(27)13(28)18(34-9)25-5-21-11-15(25)23-19(20)24-17(11)30/h5,9,12-13,18,27-28H,3-4H2,1-2H3,(H,22,29)(H,26,37)(H,31,32)(H3,20,23,24,30)/t9-,12-,13-,18-/m1/s1","","2014-05-23","2015-04-24","5'-O-[(R)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine","2015-04-29"],["ZGQ","N-[(2-methylphenyl)methyl]acetamide","C10 H13 N O","CC(=O)NCc1ccccc1C;CC(=O)NCc1ccccc1C;Cc1ccccc1CNC(=O)C","InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)","","2023-06-23","2024-09-27","N-[(2-methylphenyl)methyl]acetamide","2023-07-12"],["E65","4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C14 H15 N3 O3 S2","O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2;Cc1cc(C)nc(SCC(=O)c2ccc(cc2)[S](N)(=O)=O)n1;Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)","","2011-06-10","2012-04-06","4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide",""],["E66","(8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine","C23 H33 N7 O","CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1;CN(C)c1cc(CN2CCOCC2)nc3nc(NCc4ccc(cc4)C(C)(C)C)nn13;CC(C)(C)c1ccc(cc1)CNc2nc3nc(cc(n3n2)N(C)C)CN4CCOCC4","InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27)","","2021-12-02","2022-09-30","(8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine","2022-10-05"],["ZGR","2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid","C18 H24 O6","c1(C(=O)O)c(O)cc(cc1C=CCCCC(=O)CCCC(C)O)O;C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1C(O)=O;CC(CCCC(=O)CCCC=Cc1cc(cc(c1C(=O)O)O)O)O","InChI=1S/C18H24O6/c1-12(19)6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)24/h3,7,10-12,19,21-22H,2,4-6,8-9H2,1H3,(H,23,24)/b7-3+/t12-/m0/s1","","2015-07-01","2016-06-24","2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid","2016-06-29"],["E67","7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine","C31 H47 N7 O2","O(c4cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)NCCCN(C)C)cc4OCCCCCN)C;COc1cc2c(NC3CCN(CC3)Cc4ccccc4)nc(NCCCN(C)C)nc2cc1OCCCCCN;CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN","InChI=1S/C31H47N7O2/c1-37(2)17-10-16-33-31-35-27-22-29(40-20-9-5-8-15-32)28(39-3)21-26(27)30(36-31)34-25-13-18-38(19-14-25)23-24-11-6-4-7-12-24/h4,6-7,11-12,21-22,25H,5,8-10,13-20,23,32H2,1-3H3,(H2,33,34,35,36)","","2010-04-23","2011-06-04","7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine",""],["ZGS","[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{Z},12~{Z},15~{Z})-octadeca-9,12,15-trienoate","C26 H49 N O7 P","C[N+](C)(C)CCOP(O)(=O)OCC(O)COC(=O)CCCCCCC/C=CC/C=CC/C=CCC;CCC=CCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/p+1/b7-6-,10-9-,13-12-/t25-/m1/s1","LysoPC(18:3(9Z,12Z,15Z))","2021-04-21","2021-06-11","(4S,7R,18Z,21Z,24Z)-4,7-dihydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosa-18,21,24-trien-1-aminium","2021-06-16"],["E68","~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide","C14 H17 N5 O4 S","N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCCc2c[nH]cn2;c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N","InChI=1S/C14H17N5O4S/c15-24(22,23)12-3-1-10(2-4-12)14(21)18-8-13(20)17-6-5-11-7-16-9-19-11/h1-4,7,9H,5-6,8H2,(H,16,19)(H,17,20)(H,18,21)(H2,15,22,23)","","2018-02-20","2020-08-21","~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide","2020-08-26"],["ZGU","(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE","C8 H12 N5 O6 P","O=P(O)(O)OCC(O)Cn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(C[CH](O)CO[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(15)12-8)10-3-13(6)1-4(14)2-19-20(16,17)18/h3-4,14H,1-2H2,(H2,16,17,18)(H3,9,11,12,15)/t4-/m0/s1","","2008-03-28","2011-06-04","(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxypropyl dihydrogen phosphate",""],["E69","N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide","C26 H49 N11 O6","O=C(N)C1N(C(=O)C(NC(=O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[N@H])N)CC(C)C)CCCNC(=[N@H])N)CCC1;CC(C)C[CH](NC(=O)[CH](O)CC(=O)N[CH](CCCNC(N)=N)C(=O)N1CCC[CH]1C(N)=O)C(=O)NCCCCNC(N)=N;CC(C)CC(C(=O)NCCCCNC(=N)N)NC(=O)C(CC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N)O","InChI=1S/C26H49N11O6/c1-15(2)13-17(22(41)32-9-3-4-10-33-25(28)29)36-23(42)19(38)14-20(39)35-16(7-5-11-34-26(30)31)24(43)37-12-6-8-18(37)21(27)40/h15-19,38H,3-14H2,1-2H3,(H2,27,40)(H,32,41)(H,35,39)(H,36,42)(H4,28,29,33)(H4,30,31,34)/t16-,17+,18-,19-/m0/s1","","2014-05-15","2024-09-27","N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide","2014-11-05"],["ZGV","4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid","C18 H22 N2 O5","OC(=O)N1CC=C1/C=C/C(=O)NC(=O)/C=CC(C)=CC=CC(O)CC;CC[CH](O)C=CC=C(C)C=CC(=O)NC(=O)C=CC1=CCN1C(O)=O;CCC(C=CC=C(C)C=CC(=O)NC(=O)C=CC1=CCN1C(=O)O)O","InChI=1S/C18H22N2O5/c1-3-15(21)6-4-5-13(2)7-9-16(22)19-17(23)10-8-14-11-12-20(14)18(24)25/h4-11,15,21H,3,12H2,1-2H3,(H,24,25)(H,19,22,23)/b6-4+,9-7+,10-8+,13-5+/t15-/m0/s1","","2021-04-22","2024-09-27","4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid","2022-02-02"],["ZGW","Nirmatrelvir","C23 H32 F3 N5 O4","CC1(C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C#N)C","InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1","(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-03-09","2025-03-27","(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-07-12"],["E6A","(2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione","C20 H13 Br O5","O[CH]1[CH]([CH]2[CH](Br)C(=O)c3ccccc3C2=O)C(=O)c4ccccc4C1=O;c1ccc2c(c1)C(=O)C(C(C2=O)O)C3C(C(=O)c4ccccc4C3=O)Br","InChI=1S/C20H13BrO5/c21-15-13(16(22)9-5-1-3-7-11(9)18(15)24)14-17(23)10-6-2-4-8-12(10)19(25)20(14)26/h1-8,13-15,20,26H/t13-,14+,15+,20-/m1/s1","","2015-10-20","2016-02-12","(2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione","2016-02-17"],["ZGX","1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one","C6 H10 N2 O","CC(=O)N1C=CNCC1;CC(=O)N1CCNC=C1;CC(=O)N1CCNC=C1","InChI=1S/C6H10N2O/c1-6(9)8-4-2-7-3-5-8/h2,4,7H,3,5H2,1H3","","2023-06-23","2024-09-27","1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one","2023-07-12"],["E6B","~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide","C12 H14 N4 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)NCCc2c[nH]cn2;c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N","InChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19)","","2018-02-20","2020-08-21","~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide","2020-08-26"],["ZGY","2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide","C19 H15 Br F N7 O3 S","NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCC#N)ncc1Br;NC(=O)c1c(F)cccc1Nc2nc(Nc3ccc(cc3)[S](=O)(=O)NCC#N)ncc2Br;c1cc(c(c(c1)F)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)S(=O)(=O)NCC#N)Br","InChI=1S/C19H15BrFN7O3S/c20-13-10-24-19(26-11-4-6-12(7-5-11)32(30,31)25-9-8-22)28-18(13)27-15-3-1-2-14(21)16(15)17(23)29/h1-7,10,25H,9H2,(H2,23,29)(H2,24,26,27,28)","","2021-04-27","2022-11-04","2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide","2022-11-09"],["E6C","N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE","C15 H28 N2 O5","O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CC(C)C;CC(C)CCNC(=O)[CH](CC(C)C)NC(=O)[CH](O)CC(O)=O;CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)O","InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1","","1999-07-08","2024-09-27","(3S)-3-hydroxy-4-({(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl}amino)-4-oxobutanoic acid",""],["ZH0","N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C21 H29 N3 O5","CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)C=O;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCc2ccccc2","InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1","","2023-03-09","2023-07-07","N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2023-07-12"],["E6D","ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate","C17 H32 N2 O5","CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC;CCOC(=O)C[CH](O)C(=O)N[CH](CC(C)C)C(=O)NCCC(C)C;CCOC(=O)CC(C(=O)NC(CC(C)C)C(=O)NCCC(C)C)O","InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1","","2015-12-01","2024-09-27","ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate","2016-04-13"],["E6E","4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one","C34 H35 N5 O4 S","COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCN(CC4)c5ncnc6ccsc56)C(=O)[CH]7CC=CC[CH]37;COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)C4C3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6","InChI=1S/C34H35N5O4S/c1-41-28-10-6-3-7-23(28)20-43-30-19-22(11-12-29(30)42-2)31-25-8-4-5-9-26(25)34(40)39(37-31)24-13-16-38(17-14-24)33-32-27(15-18-44-32)35-21-36-33/h3-7,10-12,15,18-19,21,24-26H,8-9,13-14,16-17,20H2,1-2H3/t25-,26-/m1/s1","","2018-02-20","2019-03-15","(4~{a}~{R},8~{a}~{R})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2019-03-20"],["ZH1","methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate","C20 H22 O8","O=C(OC)c1cccc(c1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3;COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2;COC(=O)c1cccc(c1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C20H22O8/c1-26-19(25)13-4-2-3-12(9-13)11-5-7-14(8-6-11)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3/t15-,16-,17+,18+,20+/m1/s1","","2010-04-12","2011-06-04","methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate",""],["E6F","(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid","C7 H13 N O2","N[CH]1CCCC[CH]1C(O)=O;C1CCC(C(C1)C(=O)O)N","InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1","","2019-10-29","2024-09-27","(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid","2020-09-02"],["ZH2","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide","C21 H19 N3 O4","c2c(C(NC(C(O)C)C(=O)NO)=O)ccc(C#CC#Cc1ccc(cc1)N)c2;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O","InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1","","2010-12-06","2020-06-27","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide","2015-09-23"],["E6G","6-ethyl, guanosine-5'-monophosphate","C12 H18 N5 O8 P","CCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CCOc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C12H18N5O8P/c1-2-23-10-6-9(15-12(13)16-10)17(4-14-6)11-8(19)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,15,16)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-ethoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["ZH3","ZINC TRIHYDROXIDE","H3 O3 Zn","O[Zn-](O)O;O[Zn-](O)O;O[Zn-](O)O","InChI=1/3H2O.Zn/h3*1H2;/q;;;+2/p-3/f3HO.Zn/h3*1h;/q3*-1;m/rH3O3Zn/c1-4(2)3/h1-3H/q-1","","2005-01-20","2008-10-14","trihydroxyzincate(1-)",""],["ZH4","4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide","C21 H17 N3 O4","O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1cc(N)ccc1)cc2)C(O)C;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2cccc(N)c2)C(=O)N=O;CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O","InChI=1S/C21H17N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-11-9-15(10-12-17)5-2-3-6-16-7-4-8-18(22)13-16/h4,7-14,19,25H,22H2,1H3,(H,23,26)/t14-,19+/m1/s1","","2010-12-06","2011-06-04","4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide",""],["E6H","3-methylbenzoselenoate","C8 H8 O Se","Cc1cccc(c1)C([SeH])=O;Cc1cccc(c1)C(=O)[SeH]","InChI=1S/C8H8OSe/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)","","2022-01-04","2023-01-13","3-methylbenzenecarboselenoic Se-acid","2023-01-18"],["ZH5","1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine","C17 H19 Cl N6 S","CC1(N)CCN(CC1)c1nc2[NH]nc(Sc3ccccc3Cl)c2nc1;CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl)n2;CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3Sc4ccccc4Cl)N","InChI=1S/C17H19ClN6S/c1-17(19)6-8-24(9-7-17)13-10-20-14-15(21-13)22-23-16(14)25-12-5-3-2-4-11(12)18/h2-5,10H,6-9,19H2,1H3,(H,21,22,23)","","2023-06-23","2023-10-06","1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine","2023-10-11"],["E6I","ethyl 4-bromanyl-5-nitro-furan-2-carboxylate","C7 H6 Br N O5","CCOC(=O)c1oc(c(Br)c1)[N+]([O-])=O;CCOC(=O)c1cc(c(o1)[N+](=O)[O-])Br","InChI=1S/C7H6BrNO5/c1-2-13-7(10)5-3-4(8)6(14-5)9(11)12/h3H,2H2,1H3","","2022-04-18","2022-04-22","ethyl 4-bromanyl-5-nitro-furan-2-carboxylate","2022-04-27"],["E6J","(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","C33 H42 N2 O5","C2(Cc3cc(OCCCCOc1cc(cc(c1)COC)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O;COCc1cc2OCCCCOc3cccc(C[CH](NC(=O)c(c1)c2)[CH](O)CNCc4cccc(c4)C(C)C)c3;CC(C)c1cccc(c1)CNCC(C2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O","InChI=1S/C33H42N2O5/c1-23(2)27-10-6-9-25(14-27)20-34-21-32(36)31-18-24-8-7-11-29(16-24)39-12-4-5-13-40-30-17-26(22-38-3)15-28(19-30)33(37)35-31/h6-11,14-17,19,23,31-32,34,36H,4-5,12-13,18,20-22H2,1-3H3,(H,35,37)/t31-,32+/m0/s1","","2017-12-04","2020-05-29","(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","2020-06-03"],["ZH7","(3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one","C58 H96 O21","OC(C1CC(OC)C(O)CCC=C(C)C=CC(OC2OC(C)C(OC)C(O)C2O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O1)C1(O)OC(CC(COC)OC2CC(C)(O)C(OC3CC(OC)C(O)C(C)O3)C(C)O2)C(C)C(O)C1C;COC[CH](C[CH]1O[C](O)([CH](C)[CH](O)[CH]1C)[CH](O)[CH]2C[CH](OC)[CH](O)CCC=C(C)C=C[CH](O[CH]3O[CH](C)[CH](OC)[CH](O)[CH]3O)[CH](C)C=C(C)C=C(C)C=C(C)C(=O)O2)O[CH]4C[C](C)(O)[CH](O[CH]5C[CH](OC)[CH](O)[CH](C)O5)[CH](C)O4;CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1OC2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)OC)(C)O)C)O)C)O)O)C)C)C","InChI=1S/C58H96O21/c1-29-17-16-18-40(59)43(69-13)25-45(76-55(65)33(5)23-31(3)21-30(2)22-32(4)41(20-19-29)77-56-51(63)50(62)52(71-15)37(9)74-56)53(64)58(67)35(7)48(60)34(6)42(79-58)24-39(28-68-12)75-47-27-57(11,66)54(38(10)73-47)78-46-26-44(70-14)49(61)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,54+,56+,57+,58-/m1/s1","Apoptolidin A","2021-04-27","2021-08-06","(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-{(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-{[(2R,4S,5S,6S)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyloxan-2-yl]oxy}-3-methoxypropyl]-3,5-dimethyloxan-2-yl}(hydroxy)methyl]-10-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one (non-preferred name)","2021-08-11"],["ZH8","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-2-yl)methoxy]oxan-3-yl]ethanamide","C17 H22 N3 O7","CC(=O)NC1C(O)C(O)C(CO)OC1OCC=1CC(=O)[n+]2ccccc2N=1;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2=Nc3cccc[n+]3C(=O)C2;CC(=O)NC1C(C(C(OC1OCC2=Nc3cccc[n+]3C(=O)C2)CO)O)O","InChI=1S/C17H21N3O7/c1-9(22)18-14-16(25)15(24)11(7-21)27-17(14)26-8-10-6-13(23)20-5-3-2-4-12(20)19-10/h2-5,11,14-17,21,24-25H,6-8H2,1H3/p+1/t11-,14-,15-,16-,17-/m1/s1","","2023-03-10","2023-05-19","(4-oxo-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["E6K","5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid","C19 H17 N O8 S","O=C(O)CCCCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O;OC(=O)CCCCN[S](=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O","InChI=1S/C19H17NO8S/c21-14(22)7-3-4-8-20-29(27,28)13-9-12-15(19(26)18(13)25)17(24)11-6-2-1-5-10(11)16(12)23/h1-2,5-6,9,20,25-26H,3-4,7-8H2,(H,21,22)","","2021-12-02","2022-03-11","5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid","2022-03-16"],["ZHA","~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide","C12 H13 N O2","CC(=O)Nc1ccc2C(=O)CCCc2c1;CC(=O)Nc1ccc2c(c1)CCCC2=O","InChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)","","2017-01-23","2017-05-26","~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide","2017-05-31"],["E6L","4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid\nine-5-carboxamide","C23 H26 Cl N7 O3","COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[CH]4CO)cc1Cl;COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCCC3CO)C(=O)NCc4ncccn4","InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1","Avanafil","2019-10-31","2020-08-28","4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2~{S})-2-(hydroxymethyl)pyrrolidin-1-yl]-~{N}-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide","2020-09-02"],["E6M","(10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one","C32 H49 N3 O3","C2(CC(CCCCCCCNc1cc(cc(c1)COC)C(N2)=O)C)C(CNCc3cc(ccc3)C(C)C)O;COCc1cc2NCCCCCCC[CH](C)C[CH](NC(=O)c(c1)c2)[CH](O)CNCc3cccc(c3)C(C)C;CC1CCCCCCCNc2cc(cc(c2)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O)COC","InChI=1S/C32H49N3O3/c1-23(2)27-13-10-12-25(16-27)20-33-21-31(36)30-15-24(3)11-8-6-5-7-9-14-34-29-18-26(22-38-4)17-28(19-29)32(37)35-30/h10,12-13,16-19,23-24,30-31,33-34,36H,5-9,11,14-15,20-22H2,1-4H3,(H,35,37)/t24-,30+,31-/m1/s1","","2017-12-04","2020-05-29","(10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one","2020-06-03"],["ZHB","(3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one","C18 H24 O5","C1C(CCCC=Cc2c(C(OC(CC1)C)=O)c(cc(O)c2)O)O;C[CH]1CCC[CH](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(CCCC=Cc2cc(cc(c2C(=O)O1)O)O)O","InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1","","2016-03-08","2016-12-30","(3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one","2017-01-04"],["E6N","(4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one","C34 H37 N7 O6","COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCN(CC4)c5ccc6ncc(n6n5)[N+]([O-])=O)C(=O)[CH]7CCCC[CH]37;COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)C4C3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-]","InChI=1S/C34H37N7O6/c1-45-27-10-6-3-7-23(27)21-47-29-19-22(11-12-28(29)46-2)33-25-8-4-5-9-26(25)34(42)39(37-33)24-15-17-38(18-16-24)31-14-13-30-35-20-32(41(43)44)40(30)36-31/h3,6-7,10-14,19-20,24-26H,4-5,8-9,15-18,21H2,1-2H3/t25-,26-/m0/s1","","2018-02-20","2019-03-15","(4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one","2019-03-20"],["ZHD","(3~{E},5~{Z},7~{E},9~{R},10~{S},11~{E},13~{E},15~{E},17~{R},18~{S},20~{S})-20-[(1~{R})-1-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},4~{S},5~{S},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one","C59 H96 O22","CC1(O)CC(OC(C)C1O)OC1C(O)CC(OC1C)OC1(C)C(CCCOC)OC(O)(C(C)C2CC(OC)C(O)C=C(C)C=C(C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O2)C(OC)C1O;COCCC[CH]1O[C](O)([CH](C)[CH]2C[CH](OC)[CH](O)C=C(C)C=C(C)C=C(C)[CH](O[CH]3O[CH](C)[CH](O)[CH](O)[CH]3O)[CH](C)C=C(C)C=C(OC)C=C(C)C(=O)O2)[CH](OC)[CH](O)[C]1(C)O[CH]4C[CH](O)[CH](O[CH]5C[C](C)(O)[CH](O)[CH](C)O5)[CH](C)O4;CC1C=C(C=C(C=C(C(=O)OC(CC(C(C=C(C=C(C=C(C1OC2C(C(C(C(O2)C)O)O)O)C)C)C)O)OC)C(C)C3(C(C(C(C(O3)CCCOC)(C)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)(C)O)O)O)OC)O)C)OC)C","InChI=1S/C59H96O22/c1-29-20-30(2)24-40(60)43(72-15)27-42(77-55(67)34(6)25-39(71-14)23-31(3)22-33(5)50(32(4)21-29)79-56-49(64)48(63)47(62)36(8)76-56)35(7)59(69)54(73-16)53(66)58(12,44(80-59)18-17-19-70-13)81-45-26-41(61)51(37(9)74-45)78-46-28-57(11,68)52(65)38(10)75-46/h20-25,33,35-38,40-54,56,60-66,68-69H,17-19,26-28H2,1-16H3/b29-20+,30-24+,31-22+,32-21+,34-25+,39-23-/t33-,35-,36+,37-,38-,40-,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,52-,53-,54-,56+,57-,58-,59+/m1/s1","Ammocidin A","2021-04-27","2021-08-06","(3E,5Z,7E,9R,10S,11E,13E,15E,17R,18S,20S)-20-{(1R)-1-[(2S,3R,4R,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4R,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl}-17-hydroxy-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one (non-preferred name)","2021-08-11"],["E6O","5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide","C21 H21 Cl N4 O5 S","C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34;CC(c1cccc2c1CCC2)C(C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl","InChI=1S/C21H21ClN4O5S/c1-11(14-6-2-4-12-5-3-7-15(12)14)18(20-24-25-21(28)31-20)26-32(29,30)17-9-8-13(22)10-16(17)19(23)27/h2,4,6,8-11,18,26H,3,5,7H2,1H3,(H2,23,27)(H,25,28)/t11-,18+/m1/s1","","2019-11-06","2020-10-30","5-chloranyl-2-[[(1~{S},2~{R})-2-(2,3-dihydro-1~{H}-inden-4-yl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide","2020-11-04"],["ZHE","cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C15 H27 N O6","CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCCCC1;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2CCCCC2;CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O","InChI=1S/C15H27NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h10-15,17,19-20H,2-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1","","2023-03-10","2023-05-19","cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["ZHF","N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide","C23 H26 N4 O2 S","CCCC(NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N1CCc2sccc2C1;CCC[CH](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3;CCCC(C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c3)Cn4ccnc4","InChI=1S/C23H26N4O2S/c1-2-4-20(23(29)27-10-7-21-19(15-27)8-12-30-21)25-22(28)18-6-3-5-17(13-18)14-26-11-9-24-16-26/h3,5-6,8-9,11-13,16,20H,2,4,7,10,14-15H2,1H3,(H,25,28)/t20-/m0/s1","","2023-06-23","2023-08-04","N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide","2023-08-09"],["E6P","(10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one","C28 H41 Cl N4 O3","c2(nc1NCCCCOCCC(CC(NC(c(c1)c2)=O)C(CNCc3cc(ccc3)C(C)C)O)C)Cl;CC(C)c1cccc(CNC[CH](O)[CH]2C[CH](C)CCOCCCCNc3cc(cc(Cl)n3)C(=O)N2)c1;CC1CCOCCCCNc2cc(cc(n2)Cl)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O","InChI=1S/C28H41ClN4O3/c1-19(2)22-8-6-7-21(14-22)17-30-18-25(34)24-13-20(3)9-12-36-11-5-4-10-31-27-16-23(28(35)32-24)15-26(29)33-27/h6-8,14-16,19-20,24-25,30,34H,4-5,9-13,17-18H2,1-3H3,(H,31,33)(H,32,35)/t20-,24+,25-/m1/s1","","2017-12-04","2020-05-29","(10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one","2020-06-03"],["ZHG","2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol","C10 H14 O5","C[CH](O)c1c(O)cc(O)c([CH](C)O)c1O;CC(c1c(cc(c(c1O)C(C)O)O)O)O","InChI=1S/C10H14O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3-5,11-15H,1-2H3/t4-,5-/m1/s1","","2021-02-09","2022-01-28","2,4-bis[(1~{R})-1-oxidanylethyl]benzene-1,3,5-triol","2022-02-02"],["E6Q","3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one","C16 H10 N2 O","O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12;c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4","InChI=1S/C16H10N2O/c19-16-14-11(8-18-16)6-7-12-13(9-17-15(12)14)10-4-2-1-3-5-10/h1-9,17H","","2018-02-21","2018-05-11","3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one","2018-05-16"],["ZHH","2-(4-METHOXYPHENYL)ETHANAMINE","C9 H13 N O","O(c1ccc(cc1)CCN)C;COc1ccc(CCN)cc1;COc1ccc(cc1)CCN","InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3","","2006-10-27","2024-09-27","2-(4-methoxyphenyl)ethanamine",""],["E6R","1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide","C22 H21 F3 N2 O4 S","Cc1c(cn(CCO)c1c2ccccc2C(F)(F)F)C(=O)Nc3ccc(cc3)[S](C)(=O)=O;Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C","InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)","esaxerenone","2019-11-06","2021-03-01","1-(2-hydroxyethyl)-4-methyl-~{N}-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide","2020-02-12"],["ZHJ","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide","C20 H19 N3 O5","OC1=C(N=C(NC1=O)c1ccccc1)C(=O)NCCc1ccc(O)c(OC)c1;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3)ccc1O;COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O","InChI=1S/C20H19N3O5/c1-28-15-11-12(7-8-14(15)24)9-10-21-19(26)16-17(25)20(27)23-18(22-16)13-5-3-2-4-6-13/h2-8,11,24-25H,9-10H2,1H3,(H,21,26)(H,22,23,27)","","2021-04-28","2021-10-22","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide","2021-10-27"],["E6S","(3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione","C29 H49 N3 O4","C2(N(C(CCCCCCCCC(C)CC(C(O)(CNCc1cc(ccc1)C(C)C)O)NC2=O)=O)C)C;CC(C)c1cccc(CNCC(O)(O)[CH]2C[CH](C)CCCCCCCCC(=O)N(C)[CH](C)C(=O)N2)c1;CC1CCCCCCCCC(=O)N(C(C(=O)NC(C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C","InChI=1S/C29H49N3O4/c1-21(2)25-15-12-14-24(18-25)19-30-20-29(35,36)26-17-22(3)13-10-8-6-7-9-11-16-27(33)32(5)23(4)28(34)31-26/h12,14-15,18,21-23,26,30,35-36H,6-11,13,16-17,19-20H2,1-5H3,(H,31,34)/t22-,23+,26+/m1/s1","","2017-12-04","2020-05-29","(3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione","2020-06-03"],["ZHK","(2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide","C20 H15 Cl2 N5 O4 S2","N#CC2=C(N=C(SC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)C)NC2=O)c3ccc(Cl)c(Cl)c3;C[CH](SC1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccc(cc3)[S](N)(=O)=O;CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl","InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)/t10-/m1/s1","","2013-04-05","2014-05-29","(2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide","2013-05-22"],["E6T","3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one","C16 H10 N2 O2","Oc1cccc(c1)c2c[nH]c3c2ccc4C=NC(=O)c34;c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4","InChI=1S/C16H10N2O2/c19-11-3-1-2-9(6-11)13-8-17-15-12(13)5-4-10-7-18-16(20)14(10)15/h1-8,17,19H","","2018-02-21","2018-05-11","3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one","2018-05-16"],["E6U","N-[(1S)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide","C23 H26 N6 O4","O=C(NCCCNC(=[N@H])N)C(NC(=O)c2ccc1c(C(O)=CC(=O)N1)c2)Cc3ccccc3;NC(=N)NCCCNC(=O)[CH](Cc1ccccc1)NC(=O)c2ccc3NC(=O)C=C(O)c3c2;c1ccc(cc1)CC(C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O","InChI=1S/C23H26N6O4/c24-23(25)27-10-4-9-26-22(33)18(11-14-5-2-1-3-6-14)29-21(32)15-7-8-17-16(12-15)19(30)13-20(31)28-17/h1-3,5-8,12-13,18H,4,9-11H2,(H,26,33)(H,29,32)(H4,24,25,27)(H2,28,30,31)/t18-/m0/s1","","2014-11-24","2016-01-15","N-{(2S)-1-[(3-carbamimidamidopropyl)amino]-1-oxo-3-phenylpropan-2-yl}-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","2016-01-20"],["ZHL","(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C16 H23 N O8","CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC(=O)C3CC1CC23;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH]3C[CH]4[CH](C3)C(=O)O[CH]24;CC(=O)NC1C(C(C(OC1OC2C3CC4C2OC(=O)C4C3)CO)O)O","InChI=1S/C16H23NO8/c1-5(19)17-10-12(21)11(20)9(4-18)23-16(10)25-13-6-2-7-8(3-6)15(22)24-14(7)13/h6-14,16,18,20-21H,2-4H2,1H3,(H,17,19)/t6-,7+,8-,9+,10+,11+,12+,13-,14-,16-/m0/s1","","2023-03-10","2023-05-19","(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["E6V","(3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione","C33 H55 N3 O4","C1(N(C(CCCCCCCCC(CC(NC1=O)C(CNC2CC(C)(C)Oc3c2cc(cc3)C(C)C)O)C)=O)C)C;C[CH]1CCCCCCCCC(=O)N(C)[CH](C)C(=O)N[CH](C1)[CH](O)CN[CH]2CC(C)(C)Oc3ccc(cc23)C(C)C;CC1CCCCCCCCC(=O)N(C(C(=O)NC(C1)C(CNC2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C","InChI=1S/C33H55N3O4/c1-22(2)25-16-17-30-26(19-25)28(20-33(5,6)40-30)34-21-29(37)27-18-23(3)14-12-10-8-9-11-13-15-31(38)36(7)24(4)32(39)35-27/h16-17,19,22-24,27-29,34,37H,8-15,18,20-21H2,1-7H3,(H,35,39)/t23-,24+,27+,28+,29-/m1/s1","","2017-12-04","2020-05-29","(3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione","2020-06-03"],["ZHM","2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine","C19 H19 Br2 N5 O","Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCNCC2)c(Br)cc1;Cc1nnn(C2CCNCC2)c1c3cccc(Oc4cc(Br)ccc4Br)n3;Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br","InChI=1S/C19H19Br2N5O/c1-12-19(26(25-24-12)14-7-9-22-10-8-14)16-3-2-4-18(23-16)27-17-11-13(20)5-6-15(17)21/h2-6,11,14,22H,7-10H2,1H3","","2021-04-29","2021-07-23","2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine","2021-07-28"],["E6W","2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one","C16 H9 Br N2 O","Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4;c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4","InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H","","2018-02-21","2018-05-11","2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one","2018-05-16"],["ZHN","pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate","C22 H34 O5","O=C(c1c(cc(O)cc1O)CC(=O)OCCCCC)CCCCCCCC;CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC;CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC","InChI=1S/C22H34O5/c1-3-5-7-8-9-10-12-19(24)22-17(14-18(23)16-20(22)25)15-21(26)27-13-11-6-4-2/h14,16,23,25H,3-13,15H2,1-2H3","","2013-12-05","2015-03-13","pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate","2015-03-18"],["E6Y","(5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione","C31 H51 N3 O4","C3(N(C(COCCCCCCC(C)CC(C(CNC1(CC1)c2cc(ccc2)C(C)(C)C)O)NC3=O)=O)C)C;C[CH]1CCCCCCOCC(=O)N(C)[CH](C)C(=O)N[CH](C1)[CH](O)CNC2(CC2)c3cccc(c3)C(C)(C)C;CC1CCCCCCOCC(=O)N(C(C(=O)NC(C1)C(CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C","InChI=1S/C31H51N3O4/c1-22-12-9-7-8-10-17-38-21-28(36)34(6)23(2)29(37)33-26(18-22)27(35)20-32-31(15-16-31)25-14-11-13-24(19-25)30(3,4)5/h11,13-14,19,22-23,26-27,32,35H,7-10,12,15-18,20-21H2,1-6H3,(H,33,37)/t22-,23+,26+,27-/m1/s1","","2017-12-04","2020-05-29","(5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione","2020-06-03"],["ZHO","~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine","C26 H29 N9","CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6;Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C","InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)","","2023-06-23","2023-07-21","~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine","2023-07-26"],["E6Z"," 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide","C25 H29 N3 O3","COc1ccc(cc1C#CC(N)=O)C2=NN(C3CCCCCC3)C(=O)[CH]4CC=CC[CH]24;COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4","InChI=1S/C25H29N3O3/c1-31-22-14-12-18(16-17(22)13-15-23(26)29)24-20-10-6-7-11-21(20)25(30)28(27-24)19-8-4-2-3-5-9-19/h6-7,12,14,16,19-21H,2-5,8-11H2,1H3,(H2,26,29)/t20-,21+/m0/s1","","2018-02-22","2019-03-15","3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]prop-2-ynamide","2019-03-20"],["ZHP","(S)-1'-(2',3'-DIHYDROXYPROPYL)-HYDROXYPYRIDONE","C9 H14 N O7 P","O=P(O)(O)OCC(O)CN1C(=C(O)C(=O)C=C1)C;CC1=C(O)C(=O)C=CN1C[CH](O)CO[P](O)(O)=O;CC1=C(C(=O)C=CN1CC(COP(=O)(O)O)O)O","InChI=1S/C9H14NO7P/c1-6-9(13)8(12)2-3-10(6)4-7(11)5-17-18(14,15)16/h2-3,7,11,13H,4-5H2,1H3,(H2,14,15,16)/t7-/m0/s1","","2008-03-28","2011-06-04","(2S)-2-hydroxy-3-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)propyl dihydrogen phosphate",""],["E70","N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide","C18 H17 N3 O4 S","O=S(=O)(c1ccc(OC)cc1)Nc3cccnc3Nc2ccc(O)cc2;COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3;COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O","InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)","","2009-05-27","2011-06-04","N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide",""],["ZHR","2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C18 H23 N O7","CC(=O)NC1C(O)C(O)C(CO)OC1OCCc1ccc2occc2c1;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCc2ccc3occc3c2;CC(=O)NC1C(C(C(OC1OCCc2ccc3c(c2)cco3)CO)O)O","InChI=1S/C18H23NO7/c1-10(21)19-15-17(23)16(22)14(9-20)26-18(15)25-6-4-11-2-3-13-12(8-11)5-7-24-13/h2-3,5,7-8,14-18,20,22-23H,4,6,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1","","2023-03-10","2023-05-19","2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["E71","3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine","C21 H12 F2 N4 O","Fc1cccc(c1F)c2c(onc2)c5c4cc(c3ccncc3)cnc4nc5;Fc1cccc(c1F)c2cnoc2c3c[nH]c4ncc(cc34)c5ccncc5;c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5","InChI=1S/C21H12F2N4O/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12/h1-11H,(H,25,26)","","2012-07-09","2012-08-24","3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine","2012-08-24"],["ZHS","2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine","C25 H34 N6 O","Cc1cc(cc(C)c1)Oc1cccc(n1)c1c(C)nnn1C1CCN(CCN(C)C)CC1;CN(C)CCN1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(C)cc(C)c4)n3;Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C","InChI=1S/C25H34N6O/c1-18-15-19(2)17-22(16-18)32-24-8-6-7-23(26-24)25-20(3)27-28-31(25)21-9-11-30(12-10-21)14-13-29(4)5/h6-8,15-17,21H,9-14H2,1-5H3","","2021-04-29","2021-07-23","2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine","2021-07-28"],["ZHT","6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid","C25 H36 N6 O4","CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O;CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)Cc3cccc(n3)C(=O)O","InChI=1S/C25H36N6O4/c1-28(2)10-5-11-29-12-14-30(18-20-6-3-8-22(26-20)24(32)33)16-17-31(15-13-29)19-21-7-4-9-23(27-21)25(34)35/h3-4,6-9H,5,10-19H2,1-2H3,(H,32,33)(H,34,35)","","2023-06-23","2024-07-05","6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid","2024-07-10"],["E72","7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine","C29 H52 N8 O2","O(c3cc1c(nc(nc1NC2CCN(CCCCCN)CC2)NCCCN(C)C)cc3OCCCCCN)C;COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN;CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN","InChI=1S/C29H52N8O2/c1-36(2)16-10-15-32-29-34-25-22-27(39-20-9-5-7-14-31)26(38-3)21-24(25)28(35-29)33-23-11-18-37(19-12-23)17-8-4-6-13-30/h21-23H,4-20,30-31H2,1-3H3,(H2,32,33,34,35)","","2010-04-23","2011-06-04","7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine",""],["E74","(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one","C31 H40 N4 O3","C2(Cc3cc(CCCCNc1cc(cc(n1)OC)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O;COc1cc2cc(NCCCCc3cccc(C[CH](NC2=O)[CH](O)CNCc4cccc(c4)C(C)C)c3)n1;CC(C)c1cccc(c1)CNCC(C2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O","InChI=1S/C31H40N4O3/c1-21(2)25-12-7-11-24(15-25)19-32-20-28(36)27-16-23-10-6-9-22(14-23)8-4-5-13-33-29-17-26(31(37)34-27)18-30(35-29)38-3/h6-7,9-12,14-15,17-18,21,27-28,32,36H,4-5,8,13,16,19-20H2,1-3H3,(H,33,35)(H,34,37)/t27-,28+/m0/s1","","2017-12-04","2020-05-29","(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one","2020-06-03"],["ZHU","Alchivemycin A","C35 H51 N O5","CC=C(C)C(=O)C[CH]1C[CH](O)[CH](C)CCCCC=C(C)[CH]2C=C[CH]3C[CH](C)C[CH](C)[CH]3[CH]2C(=O)C4=C(O)C[N]1C4=O;CC=C(C)C(=O)CC1CC(C(CCCCC=C(C2C=CC3CC(CC(C3C2C(=O)C4=C(CN1C4=O)O)C)C)C)C)O","InChI=1S/C35H51NO5/c1-7-21(3)28(37)17-26-18-29(38)23(5)12-10-8-9-11-22(4)27-14-13-25-16-20(2)15-24(6)31(25)32(27)34(40)33-30(39)19-36(26)35(33)41/h7,11,13-14,20,23-27,29,31-32,38-39H,8-10,12,15-19H2,1-6H3/b21-7+,22-11+/t20-,23-,24+,25-,26-,27+,29-,31+,32+/m0/s1","","2021-07-21","2021-08-27","","2021-09-01"],["E75","trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol","C20 H22 N4 O2","OC4CCC(Nc1nccc(n1)c3c(onc3c2ccccc2)C)CC4;Cc1onc(c2ccccc2)c1c3ccnc(N[CH]4CC[CH](O)CC4)n3;Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O","InChI=1S/C20H22N4O2/c1-13-18(19(24-26-13)14-5-3-2-4-6-14)17-11-12-21-20(23-17)22-15-7-9-16(25)10-8-15/h2-6,11-12,15-16,25H,7-10H2,1H3,(H,21,22,23)/t15-,16-","","2012-07-06","2012-08-17","trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol",""],["ZHV","2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine","C23 H28 Br2 N6 O","Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCN(CCN(C)C)CC2)c(Br)cc1;CN(C)CCN1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(Br)ccc4Br)n3;Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br","InChI=1S/C23H28Br2N6O/c1-16-23(31(28-27-16)18-9-11-30(12-10-18)14-13-29(2)3)20-5-4-6-22(26-20)32-21-15-17(24)7-8-19(21)25/h4-8,15,18H,9-14H2,1-3H3","","2021-04-29","2021-07-23","2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine","2021-07-28"],["E77","(4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide","C24 H30 N2 O6","C(C1Cc3cc(OCCCCOc2cc(C(N1)=O)cc(c2)C(=O)N(C)C)ccc3)(O)CO;CN(C)C(=O)c1cc2OCCCCOc3cccc(C[CH](NC(=O)c(c2)c1)[CH](O)CO)c3;CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)CC(NC2=O)C(CO)O","InChI=1S/C24H30N2O6/c1-26(2)24(30)18-12-17-13-20(14-18)32-9-4-3-8-31-19-7-5-6-16(10-19)11-21(22(28)15-27)25-23(17)29/h5-7,10,12-14,21-22,27-28H,3-4,8-9,11,15H2,1-2H3,(H,25,29)/t21-,22-/m0/s1","","2017-12-04","2020-05-29","(4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide","2020-06-03"],["ZHW","(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate","C9 H10 F N O3 S","FS(=O)(=O)Oc1cccc2c1CCC2N;N[CH]1CCc2c(O[S](F)(=O)=O)cccc12;c1cc2c(c(c1)OS(=O)(=O)F)CCC2N","InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1","","2023-03-10","2024-09-27","(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate","2023-07-05"],["E78","~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","C20 H23 N3 O2 S","C[CH](C1CC1)N2Cc3cc(cc(C)c3C2=O)c4sc(NC(C)=O)nc4C;Cc1cc(cc2c1C(=O)N(C2)C(C)C3CC3)c4c(nc(s4)NC(=O)C)C","InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1","","2018-02-22","2018-06-15","~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","2018-06-20"],["ZHX","~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide","C16 H21 N3 O2","CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2;CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C","InChI=1S/C16H21N3O2/c1-11(2)10-14(20)17-15-12(3)18(4)19(16(15)21)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,17,20)","","2023-06-23","2024-02-16","~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide","2024-02-21"],["E79","(3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid","C6 H11 N O5","C[CH](CC(O)=O)N[CH](O)C(O)=O;CC(CC(=O)O)NC(C(=O)O)O","InChI=1S/C6H11NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3,5,7,10H,2H2,1H3,(H,8,9)(H,11,12)/t3-,5-/m1/s1","","2019-11-06","2020-02-28","(3~{R})-3-[[(1~{R})-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid","2020-03-04"],["ZHY","4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide","C20 H20 N4 O4","NC(=O)c1ccc(cc1)c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1;COc1cc(Nc2cncc(n2)c3ccc(cc3)C(N)=O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2cncc(n2)c3ccc(cc3)C(=O)N","InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)","","2021-04-29","2022-04-29","4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide","2022-05-04"],["ZHZ","2-(4-METHOXYPHENYL)ACETAMIDE","C9 H11 N O2","O=C(N)Cc1ccc(OC)cc1;COc1ccc(CC(N)=O)cc1;COc1ccc(cc1)CC(=O)N","InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)","","2006-10-27","2024-09-27","2-(4-methoxyphenyl)acetamide",""],["E7A","(10R,12S)-12-[(1R)-1,2-dihydroxyethyl]-N,N,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide","C23 H36 N2 O5","C(C(C1CC(CCCCCCCOc2cc(C(N1)=O)cc(c2)C(=O)N(C)C)C)O)O;C[CH]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[CH](C1)[CH](O)CO;CC1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)NC(C1)C(CO)O","InChI=1S/C23H36N2O5/c1-16-9-7-5-4-6-8-10-30-19-13-17(12-18(14-19)23(29)25(2)3)22(28)24-20(11-16)21(27)15-26/h12-14,16,20-21,26-27H,4-11,15H2,1-3H3,(H,24,28)/t16-,20+,21+/m1/s1","","2017-12-04","2020-05-29","(10R,12S)-12-[(1R)-1,2-dihydroxyethyl]-N,N,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide","2020-06-03"],["E7B","(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid","C41 H68 O14","O=C(O)C(=C(/C(=O)O)C(O)CC(=O)OC(C(C)C)C(OC)C(O)CC(=O)C(C)C(O)CCC(C2OC1(OC(C(CC1)C)CCC(C(=O)C)C)CCC2C)C)C;CO[CH]([CH](O)CC(=O)[CH](C)[CH](O)CC[CH](C)[CH]1O[C]2(CC[CH](C)[CH](CC[CH](C)C(C)=O)O2)CC[CH]1C)[CH](OC(=O)C[CH](O)C(C(O)=O)=C(C)C(O)=O)C(C)C;CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(=O)CC(C(C(C(C)C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)OC)O)O)C)OC1CCC(C)C(=O)C","InChI=1S/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1","","2008-10-10","2011-06-04","(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid",""],["ZI0","N-MALONYL-PROLINE","C8 H11 N O5","OC(=O)CC(=O)N1CCC[CH]1C(O)=O;C1CC(N(C1)C(=O)CC(=O)O)C(=O)O","InChI=1S/C8H11NO5/c10-6(4-7(11)12)9-3-1-2-5(9)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14)/t5-/m0/s1","1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid","2024-01-22","2025-04-04","1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid","2025-04-09"],["ZI1","3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide","C19 H12 Br F5 N2 O3","C[CH](Oc1ccc(F)c(C(N)=O)c1F)c2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F;CC(c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F","InChI=1S/C19H12BrF5N2O3/c1-8(29-12-7-6-11(21)13(14(12)22)17(26)28)18-27-15(16(20)30-18)9-2-4-10(5-3-9)19(23,24)25/h2-8H,1H3,(H2,26,28)/t8-/m1/s1","","2019-09-10","2020-01-10","3-[(1~{R})-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide","2020-01-15"],["E7C","methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate","C24 H24 O7","COC(=O)[C]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O;CC(=CCc1cc(ccc1O)CC2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C","InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1","Butyrolactone I","2019-11-07","2021-03-01","methyl (2~{R})-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate","2020-09-16"],["ZI2","[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside","C13 H24 N2 O7","CC(=O)NC1C(O)C(N)C(CO)OC1OCC1COCCO1;CC(=O)N[CH]1[CH](O)[CH](N)[CH](CO)O[CH]1OC[CH]2COCCO2;CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)N)O","InChI=1S/C13H24N2O7/c1-7(17)15-11-12(18)10(14)9(4-16)22-13(11)21-6-8-5-19-2-3-20-8/h8-13,16,18H,2-6,14H2,1H3,(H,15,17)/t8-,9+,10+,11+,12-,13+/m0/s1","","2023-03-10","2023-05-19","[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside","2023-05-24"],["E7D","N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide","C20 H29 N3 O6","CCCCCC(CN(CO)O)C(=O)NCNC(=O)c2cc1c(c(ccc1)OC)o2;CCCCC[CH](CN(O)CO)C(=O)NCNC(=O)c1oc2c(OC)cccc2c1;CCCCCC(CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC","InChI=1S/C20H29N3O6/c1-3-4-5-7-15(11-23(27)13-24)19(25)21-12-22-20(26)17-10-14-8-6-9-16(28-2)18(14)29-17/h6,8-10,15,24,27H,3-5,7,11-13H2,1-2H3,(H,21,25)(H,22,26)/t15-/m1/s1","","2017-12-06","2018-08-03","N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide","2018-08-08"],["ZI3","N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide","C22 H23 Cl N2 O3","O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC;CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc(Cl)cc4;CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc(cc4)Cl","InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)","","2023-06-23","2024-09-27","N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide","2023-07-05"],["E7E","~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide","C17 H16 N4 O2","NCc1cccc(NC(=O)c2cccc3[nH]c(cc23)C(N)=O)c1;c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN","InChI=1S/C17H16N4O2/c18-9-10-3-1-4-11(7-10)20-17(23)12-5-2-6-14-13(12)8-15(21-14)16(19)22/h1-8,21H,9,18H2,(H2,19,22)(H,20,23)","","2018-02-26","2018-06-01","~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide","2018-06-06"],["ZI5","(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide","C24 H41 N O2","CC(NC(=O)CCC/C=CC/C=CCC=C/C(C)/C=CCCCCC)CO;CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(=O)N[CH](C)CO;CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)NC(C)CO","InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1","","2023-03-13","2023-05-19","(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide","2023-05-24"],["E7F","1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one","C21 H24 O10","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O;c1cc(ccc1CCC(=O)c2c(cc(c(c2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1","","2019-11-10","2020-02-14","1-[3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one","2020-02-19"],["ZI6","3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide","C18 H10 Br F5 N2 O3","NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F;c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F","InChI=1S/C18H10BrF5N2O3/c19-16-15(8-1-3-9(4-2-8)18(22,23)24)26-12(29-16)7-28-11-6-5-10(20)13(14(11)21)17(25)27/h1-6H,7H2,(H2,25,27)","","2017-04-06","2017-07-28","3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide","2017-08-02"],["E7G","7-ethyl, guanosine-5'-monophosphate","C12 H20 N5 O8 P","CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N;CCN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C12H20N5O8P/c1-2-16-4-17(9-6(16)10(20)15-12(13)14-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h5,7-8,11,18-19H,2-4H2,1H3,(H2,21,22,23)(H3,13,14,15,20)/t5-,7-,8-,11-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["E7H","4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide","C20 H24 N4 O2","NC(=O)c1[nH]c2cccc(NC(=O)C34C[CH]5C[CH](CC(N)(C5)C3)C4)c2c1;c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34CC5CC(C3)CC(C5)(C4)N","InChI=1S/C20H24N4O2/c21-17(25)16-5-13-14(23-16)2-1-3-15(13)24-18(26)19-6-11-4-12(7-19)9-20(22,8-11)10-19/h1-3,5,11-12,23H,4,6-10,22H2,(H2,21,25)(H,24,26)/t11-,12+,19+,20-","","2018-02-26","2018-06-01","4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide","2018-06-06"],["ZI7","2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide","C15 H8 F5 N3 O2 S","NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C(F)(F)F)c1F;c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F","InChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24)","","2017-04-06","2017-07-28","2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide","2017-08-02"],["E7I","benzoselenoate","C7 H6 O Se","[SeH]C(=O)c1ccccc1;c1ccc(cc1)C(=O)[SeH]","InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)","","2022-01-04","2023-01-13","benzenecarboselenoic Se-acid","2023-01-18"],["ZI8","N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide","C20 H21 Cl N2 O3","O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1)N1CCC(O)C1;O[CH]1CCN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4ccc(Cl)cc4;c1cc(ccc1C(=O)NC2(COC2)c3ccc(cc3)Cl)N4CCC(C4)O","InChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(12-26-13-20)22-19(25)14-1-7-17(8-2-14)23-10-9-18(24)11-23/h1-8,18,24H,9-13H2,(H,22,25)/t18-/m0/s1","","2023-06-23","2023-06-30","N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide","2023-07-05"],["ZI9","3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide","C16 H9 F2 N3 O2 S","NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F;C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N)F","InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)","","2023-01-05","2023-09-15","3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide","2023-09-20"],["E7J","4-(4-oxidanylbutoxycarbonyl)benzoic acid","C12 H14 O5","OCCCCOC(=O)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)C(=O)OCCCCO","InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)","","2023-06-14","2023-11-24","4-(4-oxidanylbutoxycarbonyl)benzoic acid","2023-11-29"],["E7K","7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline","C27 H26 N6 S","Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1;Cc1cn(c(C)n1)c2ccc3CCN(Cc3c2)c4sc(Cc5ccc(cc5)n6cccn6)cn4;Cc1cn(c(n1)C)c2ccc3c(c2)CN(CC3)c4ncc(s4)Cc5ccc(cc5)n6cccn6","InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3","","2021-12-03","2023-05-12","7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline","2023-05-17"],["ZIA","[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C13 H22 N2 O7","CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCC(=O)N1;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH]2CCC(=O)N2;CC(=O)NC1C(C(C(OC1OCC2CCC(=O)N2)CO)O)O","InChI=1S/C13H22N2O7/c1-6(17)14-10-12(20)11(19)8(4-16)22-13(10)21-5-7-2-3-9(18)15-7/h7-8,10-13,16,19-20H,2-5H2,1H3,(H,14,17)(H,15,18)/t7-,8-,10-,11-,12-,13-/m1/s1","","2023-03-13","2023-05-19","[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["E7L","S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate","C10 H20 N2 O2 S","CC(C)C[CH](N)C(=O)SCCNC(C)=O;CC(C)CC(C(=O)SCCNC(=O)C)N","InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m1/s1","","2019-11-11","2020-06-19","~{S}-(2-acetamidoethyl) (2~{R})-2-azanyl-4-methyl-pentanethioate","2020-06-24"],["ZIB","1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one","C22 H20 F3 N5 O4","FC(F)(F)Oc1ccc(cc1)OCC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1;FC(F)(F)Oc1ccc(OCC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1;c1cc(ccc1OCC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F","InChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-4-2-16(3-5-17)33-12-20(31)29-8-14-10-30(11-15(14)9-29)21(32)13-1-6-18-19(7-13)27-28-26-18/h1-7,14-15H,8-12H2,(H,26,27,28)/t14-,15-/m1/s1","","2023-06-23","2024-12-13","1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one","2024-12-18"],["ZID","ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE","C27 H30 N8 O15 P2","NC(=O)c1c[n+](ccc1C(=O)c2ccncc2)[CH]3O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C27H30N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,15-16,19-22,26-27,37-40H,8-9H2,(H5-,28,29,31,32,41,42,43,44,45)/t15-,16-,19-,20-,21-,22-,26-,27-/m1/s1","","1999-07-08","2012-01-05","[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4-pyridin-4-ylcarbonyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["E7M","3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide","C30 H29 F3 N6 O2","c5c4ncc(C#Cc1c(C)ccc(c1)C(Nc2cc(c(cc2)CNCCN3CCOCC3)C(F)(F)F)=O)n4ncc5;Cc1ccc(cc1C#Cc2cnc3cccnn23)C(=O)Nc4ccc(CNCCN5CCOCC5)c(c4)C(F)(F)F;Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5","InChI=1S/C30H29F3N6O2/c1-21-4-5-23(17-22(21)7-9-26-20-35-28-3-2-10-36-39(26)28)29(40)37-25-8-6-24(27(18-25)30(31,32)33)19-34-11-12-38-13-15-41-16-14-38/h2-6,8,10,17-18,20,34H,11-16,19H2,1H3,(H,37,40)","","2017-12-06","2020-09-18","3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide","2020-09-23"],["ZIE","4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside","C22 H31 N3 O13","CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(CO)OC(Oc2ccc(cc2)[N+]([O-])=O)C(NC(C)=O)C1O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO)Oc3ccc(cc3)[N+]([O-])=O;CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O","InChI=1S/C22H31N3O13/c1-9(28)23-15-18(31)17(30)13(7-26)36-22(15)38-20-14(8-27)37-21(16(19(20)32)24-10(2)29)35-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26-27,30-32H,7-8H2,1-2H3,(H,23,28)(H,24,29)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1","","2023-03-13","2023-05-19","4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["E7N","~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide","C25 H31 N5 O3 S","CCC[S](=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4;CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4","InChI=1S/C25H31N5O3S/c1-3-14-34(31,32)29-23-16-19(6-9-24(23)33-2)22-15-20(17-28-25(22)26)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,15-17,27,29H,3,10-14H2,1-2H3,(H2,26,28)","","2018-02-26","2018-04-20","~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide","2018-04-25"],["E7O","2-(naphthalen-1-ylcarbamoyl)benzoic acid","C18 H13 N O3","OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23;c1ccc2c(c1)cccc2NC(=O)c3ccccc3C(=O)O","InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)","","2022-01-04","2022-08-22","2-(naphthalen-1-ylcarbamoyl)benzoic acid","2022-07-06"],["ZIF","(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine","C18 H19 Cl N4 O","Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21;Cc1cc(NC[CH]2CCCO2)n3ncc(c4ccc(Cl)cc4)c3n1;Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)Cl)NCC4CCCO4","InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3/t15-/m1/s1","","2023-06-23","2024-12-13","(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine","2024-12-18"],["ZIG","2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide","C25 H17 F2 N5 O3 S","COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3;COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F","InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3","","2009-12-10","2011-06-04","2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide",""],["E7P","(2S)-2-amino-4-phosphonobutanoic acid","C4 H10 N O5 P","OP(=O)(CCC(C(O)=O)N)O;N[CH](CC[P](O)(O)=O)C(O)=O;C(CP(=O)(O)O)C(C(=O)O)N","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","","2017-12-06","2024-09-27","(2S)-2-amino-4-phosphonobutanoic acid","2018-02-07"],["ZIL","N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine","C20 H30 N2 O5","O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C;CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)C)C(O)=O;CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)OCc1ccccc1","InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1","Z-Ile-Leu","2014-07-23","2020-06-17","N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine","2014-10-08"],["E7Q","~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide","C16 H19 Cl N2 O4","CCCCCC(=O)N(O)[CH]1CC(=O)N(C1=O)c2ccc(Cl)cc2;CCCCCC(=O)N(C1CC(=O)N(C1=O)c2ccc(cc2)Cl)O","InChI=1S/C16H19ClN2O4/c1-2-3-4-5-14(20)19(23)13-10-15(21)18(16(13)22)12-8-6-11(17)7-9-12/h6-9,13,23H,2-5,10H2,1H3/t13-/m0/s1","","2018-02-26","2019-03-08","~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide","2019-03-13"],["ZIM","N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C16 H16 Cl N3 O3","O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1;Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3;c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl","InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)","","2023-03-13","2023-03-24","N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["E7R","1,3-dimethyl-7-propyl-purine-2,6-dione","C10 H14 N4 O2","CCCn1cnc2N(C)C(=O)N(C)C(=O)c12;CCCn1cnc2c1C(=O)N(C(=O)N2C)C","InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3","","2019-11-13","2020-05-29","1,3-dimethyl-7-propyl-purine-2,6-dione","2020-06-03"],["ZIN","7-(pyridin-2-ylmethyl)quinolin-8-ol","C15 H12 N2 O","Oc1c(ccc2cccnc12)Cc3ncccc3;Oc1c(Cc2ccccn2)ccc3cccnc13;c1ccnc(c1)Cc2ccc3cccnc3c2O","InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2","","2009-09-15","2024-09-27","7-(pyridin-2-ylmethyl)quinolin-8-ol",""],["E7S","(5,6-dimethyl-1H-benzimidazol-2-yl)methanol","C10 H12 N2 O","c21c(cc(C)c(c1)C)nc(CO)n2;Cc1cc2[nH]c(CO)nc2cc1C;Cc1cc2c(cc1C)nc([nH]2)CO","InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)","","2017-12-06","2018-02-23","(5,6-dimethyl-1H-benzimidazol-2-yl)methanol","2018-02-28"],["E7T","5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one","C22 H19 F5 N2 O3","CC[CH]1C[C](O)([CH](Nc2cccc3NC(=O)C=Cc23)c4cc(F)c(F)c(O)c14)C(F)(F)F;CCC1CC(C(c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O","InChI=1S/C22H19F5N2O3/c1-2-10-9-21(32,22(25,26)27)20(12-8-13(23)18(24)19(31)17(10)12)29-15-5-3-4-14-11(15)6-7-16(30)28-14/h3-8,10,20,29,31-32H,2,9H2,1H3,(H,28,30)/t10-,20+,21-/m1/s1","","2016-04-27","2017-02-10","5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one","2017-02-15"],["ZIO","(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE","C35 H61 N O12","O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C;CO[CH]1C[CH](O[CH](C)[CH]1O)O[CH]2[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[CH](C)C[C]4(CO4)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(=O)[CH]2C;CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C","InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1","OLEANDOMYCIN","2006-07-13","2021-03-01","(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside",""],["E7U","(1S,2R,3R,4R,5'S,6S,7S,8S,9R,12R,13R,15S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol","C27 H44 O5","C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)O)C)OC1","InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1","","2019-11-13","2023-09-18","(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{S},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol","2020-02-19"],["ZIP","N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE","C10 H13 N5","n2c1c(ncn1)c(nc2)NCC=C(/C)C;CC(C)=CCNc1ncnc2[nH]cnc12;CC(=CCNc1c2c([nH]cn2)ncn1)C","InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)","ISOPENTENYLADENINE","2004-06-23","2021-03-01","N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine",""],["ZIQ","alpha-methyl-L-tryptophan","C12 H14 N2 O2","NC(C(O)=O)(Cc1cnc2c1cccc2)C;C[C](N)(Cc1c[nH]c2ccccc12)C(O)=O;CC(Cc1c[nH]c2c1cccc2)(C(=O)O)N","InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1","","2018-06-13","2024-09-27","alpha-methyl-L-tryptophan","2020-01-01"],["E7V","4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid","C25 H19 Br Cl2 N2 O3 S","c32c(cc(Sc1cc(c(Cl)cc1)Cl)cc2Br)n(c(c3)C(O)=O)Cc4ccc(cc4)C(=O)N(C)C;CN(C)C(=O)c1ccc(Cn2c(cc3c(Br)cc(Sc4ccc(Cl)c(Cl)c4)cc23)C(O)=O)cc1;CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl","InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33)","","2017-12-06","2018-02-23","4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid","2018-02-28"],["ZIR","N-(3-methylbut-2-en-1-yl)adenosine","C15 H21 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NCC=C(/C)C;CC(C)=CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;CC(=CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)C","InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1","","2011-05-23","2012-05-18","N-(3-methylbut-2-en-1-yl)adenosine",""],["E7W","(1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid","C22 H25 N5 O2","NCc1cccc(Nc2nc(N[CH]3CCCC[CH]3C(O)=O)nc4ccccc24)c1;c1ccc2c(c1)c(nc(n2)NC3CCCCC3C(=O)O)Nc4cccc(c4)CN","InChI=1S/C22H25N5O2/c23-13-14-6-5-7-15(12-14)24-20-16-8-1-3-10-18(16)25-22(27-20)26-19-11-4-2-9-17(19)21(28)29/h1,3,5-8,10,12,17,19H,2,4,9,11,13,23H2,(H,28,29)(H2,24,25,26,27)/t17-,19+/m1/s1","","2018-02-27","2018-06-01","(1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid","2018-06-06"],["E7X","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate","C16 H25 N7 O6","Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCO)CC[CH]([NH3+])C([O-])=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)[O-])[NH3+])CCO)O)O)N","InChI=1S/C16H25N7O6/c17-8(16(27)28)1-2-22(3-4-24)5-9-11(25)12(26)15(29-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-26H,1-5,17H2,(H,27,28)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1","","2019-11-14","2019-12-27","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate","2020-01-01"],["ZIS","[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","C24 H27 F4 N5 O4","FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1;Fc1cc(OCC(F)(F)F)ccc1COC(=O)N2CCC3(CC2)CN(C3)C(=O)[CH]4CCc5[nH]nnc5C4;c1cc(c(cc1OCC(F)(F)F)F)COC(=O)N2CCC3(CC2)CN(C3)C(=O)C4CCc5c(nn[nH]5)C4","InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)/t15-/m1/s1","","2023-06-23","2024-12-13","[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","2024-12-18"],["ZIT","AZITHROMYCIN","C38 H72 N2 O12","O=C3OC(CC)C(O)(C)C(O)C(N(C)CC(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O","InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1","","2002-06-20","2011-06-04","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside",""],["E7Y","(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide","C22 H37 N O2","C(=O)(NCCO)CCC[C@H]=CCC=C/C[C@H]=CC[C@H]=CCCCCC;CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO;CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO","InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-","N-arachidonoylethanolamine","2017-12-07","2020-06-17","(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide","2018-12-12"],["ZIV","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphanyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3~{H}-purin-7-yl]ethyl]amino]-2-azanyl-butanoic acid","C26 H39 N12 O12 P","O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)CCN1CN(C2OC(COP(O)O)C(O)C2O)C=2NC(N)=NC(=O)C1=2;N[CH](CCN(CCN1CN([CH]2O[CH](CO[PH]([OH-])=O)[CH](O)[CH]2O)C3=C1C(=O)N=C(N)N3)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CCN4CN(C5=C4C(=O)N=C(N5)N)C6C(C(C(O6)COP(=O)[OH-])O)O)O)O)N","InChI=1S/C26H39N12O12P/c27-10(25(44)45)1-2-35(5-11-15(39)17(41)23(49-11)37-8-32-13-19(28)30-7-31-20(13)37)3-4-36-9-38(21-14(36)22(43)34-26(29)33-21)24-18(42)16(40)12(50-24)6-48-51(46)47/h7-8,10-12,15-18,23-24,39-42,46,51H,1-6,9,27H2,(H,44,45)(H2,28,30,31)(H3,29,33,34,43)/q-1/t10-,11+,12+,15+,16-,17+,18+,23+,24+/m0/s1","","2023-03-13","2023-04-07","(2S)-2-amino-4-[(2-{2-amino-9-[(2R,3R,4R,5R)-5-{[(dihydroxyphosphanyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-oxo-3,6,8,9-tetrahydro-7H-purin-7-yl}ethyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}amino]butanoic acid (non-preferred name)","2023-04-12"],["E7Z","1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid","C7 H7 N O4","CN1C=C(O)C(=O)C=C1C(O)=O;CN1C=C(C(=O)C=C1C(=O)O)O","InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)","","2018-02-27","2018-10-05","1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid","2018-10-10"],["ZIW","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine","C18 H19 Cl N4 O3 S","O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1;Clc1ccc2C[CH](Cc2c1)Nc3ncc4CN(Cc4n3)[S](=O)(=O)C5COC5;c1cc2c(cc1Cl)CC(C2)Nc3ncc4c(n3)CN(C4)S(=O)(=O)C5COC5","InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1","","2023-06-23","2024-12-13","N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine","2024-12-18"],["E80","6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid","C21 H28 N2 O3","CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c2ccc(cn2)C(O)=O;CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O","InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)","","2019-11-19","2020-11-13","6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid","2020-11-18"],["E81","[4-(hydroxymethyl)phenyl] 5-nitrothiophene-2-carboxylate","C12 H9 N O5 S","OCc1ccc(OC(=O)c2sc(cc2)[N+]([O-])=O)cc1;c1cc(ccc1CO)OC(=O)c2ccc(s2)[N+](=O)[O-]","InChI=1S/C12H9NO5S/c14-7-8-1-3-9(4-2-8)18-12(15)10-5-6-11(19-10)13(16)17/h1-6,14H,7H2","","2022-04-19","2022-04-22","[4-(hydroxymethyl)phenyl] 5-nitrothiophene-2-carboxylate","2022-04-27"],["ZIY","plitidepsin","C57 H87 N7 O15","CC(=O)C(=O)N1CCCC1C(=O)N(C)C(CC(C)C)C(=O)NC1C(=O)NC(C(O)CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)N(C)C(Cc2ccc(OC)cc2)C(=O)OC1C)C(C)CC;CC[CH](C)[CH]1NC(=O)[CH](NC(=O)[CH](CC(C)C)N(C)C(=O)[CH]2CCCN2C(=O)C(C)=O)[CH](C)OC(=O)[CH](Cc3ccc(OC)cc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH](CC(C)C)NC(=O)[CH](C)C(=O)[CH](OC(=O)C[CH]1O)C(C)C;CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O","InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1","","2023-03-13","2023-04-14","1-(2-oxopropanoyl)-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,22S,25aS)-10-[(2S)-butan-2-yl]-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-15-(propan-2-yl)docosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-N~2~-methyl-D-leucinamide","2023-04-19"],["ZIZ","N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide","C15 H21 I3 N6 O6","ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI;C1N(CN(CN1C(=O)CNC(=O)CI)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI","InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27)","","2023-06-26","2024-09-27","~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide","2023-11-01"],["E82","3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide","C24 H24 N2 O","NCc1cccc(c1)c2cccc(c2)C(=O)N[CH]3CCCc4ccccc34;c1ccc2c(c1)CCCC2NC(=O)c3cccc(c3)c4cccc(c4)CN","InChI=1S/C24H24N2O/c25-16-17-6-3-9-19(14-17)20-10-4-11-21(15-20)24(27)26-23-13-5-8-18-7-1-2-12-22(18)23/h1-4,6-7,9-12,14-15,23H,5,8,13,16,25H2,(H,26,27)/t23-/m0/s1","","2018-02-27","2018-06-01","3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide","2018-06-06"],["E83","2-[[3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid","C23 H19 N3 O6 S","CC(=O)C(=NNc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)C(=O)c3ccccc3;CC(=O)C(=NNc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)C(=O)c3ccccc3","InChI=1S/C23H19N3O6S/c1-15(27)21(22(28)16-8-3-2-4-9-16)25-24-17-10-7-11-18(14-17)33(31,32)26-20-13-6-5-12-19(20)23(29)30/h2-14,24,26H,1H3,(H,29,30)/b25-21+","","2019-11-19","2020-11-20","2-[[3-[(2~{E})-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid","2020-11-25"],["ZJ0","1-(3,5-dimethoxyphenyl)decan-1-one","C18 H28 O3","O=C(c1cc(OC)cc(OC)c1)CCCCCCCCC;CCCCCCCCCC(=O)c1cc(OC)cc(OC)c1;CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC","InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-11-18(19)15-12-16(20-2)14-17(13-15)21-3/h12-14H,4-11H2,1-3H3","","2013-06-15","2013-12-13","1-(3,5-dimethoxyphenyl)decan-1-one","2013-12-18"],["E84","2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate","C19 H27 N O3","O=C(OCCN1CCOCC1)C2(CCCCC2)c3ccccc3;c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3","InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2","PRE-084","2020-12-10","2022-03-11","2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate","2022-03-16"],["ZJ1","(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide","C25 H35 N3 O3 S","CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC;CC[S](=O)(=O)N([CH](C(=O)NC1CCCCC1)c2cccnc2)c3ccc(cc3)C(C)(C)C;CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC3CCCCC3","InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1","","2021-04-29","2024-09-27","(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide","2021-12-22"],["ZJ2","4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile","C24 H19 N7 O","N#Cc1ccc(cc1)Nc1ncc2NC(=O)CN(c2n1)c1c(C)cc(C=CC#N)cc1C;Cc1cc(C=CC#N)cc(C)c1N2CC(=O)Nc3cnc(Nc4ccc(cc4)C#N)nc23;Cc1cc(cc(c1N2CC(=O)Nc3c2nc(nc3)Nc4ccc(cc4)C#N)C)C=CC#N","InChI=1S/C24H19N7O/c1-15-10-18(4-3-9-25)11-16(2)22(15)31-14-21(32)29-20-13-27-24(30-23(20)31)28-19-7-5-17(12-26)6-8-19/h3-8,10-11,13H,14H2,1-2H3,(H,29,32)(H,27,28,30)/b4-3+","","2022-12-06","2023-01-27","4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile","2023-02-01"],["E85","3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol","C18 H17 N7 O","NCc1cccc(Nc2n[nH]c3ncnc(Nc4cccc(O)c4)c23)c1;c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN","InChI=1S/C18H17N7O/c19-9-11-3-1-4-12(7-11)23-18-15-16(20-10-21-17(15)24-25-18)22-13-5-2-6-14(26)8-13/h1-8,10,26H,9,19H2,(H3,20,21,22,23,24,25)","","2018-02-27","2018-06-01","3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol","2018-06-06"],["E86","4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide","C24 H22 Cl N5 O2","Clc1ccccc1Nc2ncc(c(n2)c4cc(C(=O)NC(c3ccccc3)CO)nc4)C;Cc1cnc(Nc2ccccc2Cl)nc1c3c[nH]c(c3)C(=O)N[CH](CO)c4ccccc4;Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3ccccc3)Nc4ccccc4Cl","InChI=1S/C24H22ClN5O2/c1-15-12-27-24(29-19-10-6-5-9-18(19)25)30-22(15)17-11-20(26-13-17)23(32)28-21(14-31)16-7-3-2-4-8-16/h2-13,21,26,31H,14H2,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1","","2009-07-09","2011-06-04","4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide",""],["ZJ3","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate","C25 H26 F3 N5 O16 P2","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(Oc3cc4OC(=O)C=C(c4cc3)C(F)(F)F)C(O)C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](Oc5ccc6c(OC(=O)C=C6C(F)(F)F)c5)[CH](O)[CH]4O)[CH](O)[CH]3O;c1cc2c(cc1OC3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)OC(=O)C=C2C(F)(F)F","InChI=1S/C25H26F3N5O16P2/c26-25(27,28)11-4-15(34)46-12-3-9(1-2-10(11)12)45-24-20(38)18(36)14(48-24)6-44-51(41,42)49-50(39,40)43-5-13-17(35)19(37)23(47-13)33-8-32-16-21(29)30-7-31-22(16)33/h1-4,7-8,13-14,17-20,23-24,35-38H,5-6H2,(H,39,40)(H,41,42)(H2,29,30,31)/t13-,14-,17-,18-,19-,20-,23-,24+/m1/s1","","2023-03-14","2023-05-12","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2023-05-17"],["E87","(2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate","C44 H85 N O6 S","C(CCCCCCCC)C(NC(CO)CSCC(OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCC)=O;CCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(CSCC(CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC","InChI=1S/C44H85NO6S/c1-4-7-10-13-16-18-20-22-25-28-31-34-43(48)50-37-41(51-44(49)35-32-29-26-23-21-19-17-14-11-8-5-2)39-52-38-40(36-46)45-42(47)33-30-27-24-15-12-9-6-3/h40-41,46H,4-39H2,1-3H3,(H,45,47)/t40-,41-/m1/s1","","2017-12-07","2024-09-27","(2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate","2018-05-09"],["ZJ4","5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid","C13 H12 O2 S","OC(=O)c1ccc(s1)c1c(C)cccc1C;Cc1cccc(C)c1c2sc(cc2)C(O)=O;Cc1cccc(c1c2ccc(s2)C(=O)O)C","InChI=1S/C13H12O2S/c1-8-4-3-5-9(2)12(8)10-6-7-11(16-10)13(14)15/h3-7H,1-2H3,(H,14,15)","","2021-04-29","2022-02-04","5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid","2022-02-09"],["ZJ5","~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide","C9 H13 B N O5 S","C[S](=O)(=O)NC[CH]1O[B](O)(O)c2ccccc12;B1(c2ccccc2C(O1)CNS(=O)(=O)C)(O)O","InChI=1S/C9H13BNO5S/c1-17(14,15)11-6-9-7-4-2-3-5-8(7)10(12,13)16-9/h2-5,9,11-13H,6H2,1H3/t9-/m0/s1","","2023-06-26","2023-08-11","~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide","2023-08-16"],["E88","(2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid","C20 H23 N5 O2","CC(C)[CH](Nc1nc(Nc2cccc(CN)c2)c3ccccc3n1)C(O)=O;CC(C)C(C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN","InChI=1S/C20H23N5O2/c1-12(2)17(19(26)27)24-20-23-16-9-4-3-8-15(16)18(25-20)22-14-7-5-6-13(10-14)11-21/h3-10,12,17H,11,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)/t17-/m0/s1","","2018-02-27","2018-06-01","(2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid","2018-06-06"],["ZJ7","5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid","C14 H14 O2 S","OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C;Cc1cc(C)c(c(C)c1)c2sc(cc2)C(O)=O;Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C","InChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16)","","2021-04-29","2022-02-04","5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid","2022-02-09"],["E89","6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","C18 H17 N5 O2","O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(OC)cc4)N;COc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1;COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3","InChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24)","","2004-12-07","2011-06-04","6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["E8B","~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide","C18 H22 N2 O","CC(C)CC(=O)Nc1cccc(c1)c2cccc(CN)c2;CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN","InChI=1S/C18H22N2O/c1-13(2)9-18(21)20-17-8-4-7-16(11-17)15-6-3-5-14(10-15)12-19/h3-8,10-11,13H,9,12,19H2,1-2H3,(H,20,21)","","2018-02-27","2018-06-01","~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide","2018-06-06"],["ZJ8","4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide","C13 H19 N3 O3","O=C(N1CCN(CC1)C(=O)NCCC)c1ccco1;CCCNC(=O)N1CCN(CC1)C(=O)c2occc2;CCCNC(=O)N1CCN(CC1)C(=O)c2ccco2","InChI=1S/C13H19N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,14,18)","","2023-03-14","2023-03-24","4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide","2023-03-29"],["E8C","(2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C14 H19 F2 N3 O3","CC(C)C[CH](NC(=O)NCc1ccc(F)cc1F)C(=O)NO;CC(C)CC(C(=O)NO)NC(=O)NCc1ccc(cc1F)F","InChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)6-11(9)16/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1","","2017-07-26","2018-07-27","(2~{R})-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["ZJ9","~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide","C22 H21 N3 O4","CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34;CN(C)C(=O)c1ccc(cc1O)c2cc(no2)C(=O)NC3CCc4c3cccc4","InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1","","2023-06-26","2023-11-17","~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide","2023-11-22"],["ZJA","5-(2-methylphenyl)thiophene-2-carboxylic acid","C12 H10 O2 S","OC(=O)c1ccc(s1)c1ccccc1C;Cc1ccccc1c2sc(cc2)C(O)=O;Cc1ccccc1c2ccc(s2)C(=O)O","InChI=1S/C12H10O2S/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)","","2021-04-29","2022-02-04","5-(2-methylphenyl)thiophene-2-carboxylic acid","2022-02-09"],["E8D","2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one","C18 H13 F2 N5 O2","c23cnc(Nc1cc(c(c(c1)F)O)F)nc2N(CC(N3)=O)c4ccccc4;Oc1c(F)cc(Nc2ncc3NC(=O)CN(c4ccccc4)c3n2)cc1F;c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F","InChI=1S/C18H13F2N5O2/c19-12-6-10(7-13(20)16(12)27)22-18-21-8-14-17(24-18)25(9-15(26)23-14)11-4-2-1-3-5-11/h1-8,27H,9H2,(H,23,26)(H,21,22,24)","","2017-12-13","2017-12-15","2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one","2017-12-20"],["ZJB","(2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL","C13 H16 N6 O4","CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3O)c4ncnc1c24;CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N1)N","InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1","","2015-09-22","2016-09-30","","2016-10-05"],["E8E","(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","C30 H38 N4 O5","CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)C(=O)NCc3ccccc3;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NCc2ccccc2)O)NC(=O)C=Cc3ccccc3","InChI=1S/C30H38N4O5/c1-20(2)17-25(33-26(35)14-13-21-9-5-3-6-10-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-11-7-4-8-12-22/h3-14,20,23-25,27,36H,15-19H2,1-2H3,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-,27+/m0/s1","","2018-03-01","2024-09-27","(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","2019-03-20"],["ZJD","5-(2-ethylphenyl)thiophene-2-carboxylic acid","C13 H12 O2 S","OC(=O)c1ccc(s1)c1ccccc1CC;CCc1ccccc1c2sc(cc2)C(O)=O;CCc1ccccc1c2ccc(s2)C(=O)O","InChI=1S/C13H12O2S/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)13(14)15/h3-8H,2H2,1H3,(H,14,15)","","2021-04-29","2022-02-04","5-(2-ethylphenyl)thiophene-2-carboxylic acid","2022-02-09"],["E8F","(2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C16 H25 N3 O3","CC(C)C[CH](NC(=O)NCc1ccc(C)c(C)c1)C(=O)NO;Cc1ccc(cc1C)CNC(=O)NC(CC(C)C)C(=O)NO","InChI=1S/C16H25N3O3/c1-10(2)7-14(15(20)19-22)18-16(21)17-9-13-6-5-11(3)12(4)8-13/h5-6,8,10,14,22H,7,9H2,1-4H3,(H,19,20)(H2,17,18,21)/t14-/m0/s1","","2017-07-27","2018-07-27","(2~{S})-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["E8G","(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C16 H25 N3 O3","CC(C)C[CH](NC(=O)NCc1cccc(C)c1C)C(=O)NO;Cc1cccc(c1C)CNC(=O)NC(CC(C)C)C(=O)NO","InChI=1S/C16H25N3O3/c1-10(2)8-14(15(20)19-22)18-16(21)17-9-13-7-5-6-11(3)12(13)4/h5-7,10,14,22H,8-9H2,1-4H3,(H,19,20)(H2,17,18,21)/t14-/m0/s1","","2017-07-27","2018-07-27","(2~{S})-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["ZJE","N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C15 H21 N3 O3 S","O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1;O=C(NC[CH]1CCCO1)N2CCN(CC2)C(=O)c3sccc3;c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CCCO3","InChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m0/s1","","2023-03-14","2023-03-24","N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["ZJF","~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide","C15 H17 N3 O2","Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3;c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3","InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20)","","2023-06-26","2023-11-17","~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide","2023-11-22"],["E8H","1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione","C27 H32 N4 O6","COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CCC4=O)C(=O)[CH]5CC=CC[CH]25;COc1ccc(cc1OC)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O","InChI=1S/C27H32N4O6/c1-36-21-8-7-17(15-22(21)37-2)26-19-5-3-4-6-20(19)27(35)31(28-26)18-11-13-29(14-12-18)25(34)16-30-23(32)9-10-24(30)33/h3-4,7-8,15,18-20H,5-6,9-14,16H2,1-2H3/t19-,20+/m0/s1","","2018-03-02","2019-03-15","1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]pyrrolidine-2,5-dione","2019-03-20"],["E8I","(2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid","C23 H22 N6 O4","O=C(O)C(CCc1ccccc1)NC(=O)Nc1ccc(cc1)Oc1nc(N)nc2[NH]ccc21;Nc1nc2[nH]ccc2c(Oc3ccc(NC(=O)N[CH](CCc4ccccc4)C(O)=O)cc3)n1;c1ccc(cc1)CCC(C(=O)O)NC(=O)Nc2ccc(cc2)Oc3c4cc[nH]c4nc(n3)N","InChI=1S/C23H22N6O4/c24-22-28-19-17(12-13-25-19)20(29-22)33-16-9-7-15(8-10-16)26-23(32)27-18(21(30)31)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13,18H,6,11H2,(H,30,31)(H2,26,27,32)(H3,24,25,28,29)/t18-/m0/s1","","2021-12-03","2022-05-20","(2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid","2022-05-25"],["ZJG","cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C37 H48 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCC3)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CCC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C37H48N6O9S/c1-22-32(39-29-18-25(50-3)14-15-27(29)38-22)51-26-19-30-31(44)41-37(34(46)42-53(48,49)36(2)16-17-36)20-23(37)10-7-5-4-6-8-13-28(33(45)43(30)21-26)40-35(47)52-24-11-9-12-24/h7,10,14-15,18,23-24,26,28,30H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,40,47)(H,41,44)(H,42,46)/b10-7-/t23-,26-,28+,30+,37-/m1/s1","","2021-04-30","2022-03-11","cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-16"],["E8J","(1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide","C21 H31 N5 O5","C(CC(NO)=O)(C(=O)N2C1CCC(C1)C2C(=O)Nc3nccnc3OC)CCCCC;CCCCC[CH](CC(=O)NO)C(=O)N1[CH]2CC[CH](C2)[CH]1C(=O)Nc3nccnc3OC;CCCCCC(CC(=O)NO)C(=O)N1C2CCC(C2)C1C(=O)Nc3c(nccn3)OC","InChI=1S/C21H31N5O5/c1-3-4-5-6-14(12-16(27)25-30)21(29)26-15-8-7-13(11-15)17(26)19(28)24-18-20(31-2)23-10-9-22-18/h9-10,13-15,17,30H,3-8,11-12H2,1-2H3,(H,25,27)(H,22,24,28)/t13-,14+,15+,17-/m0/s1","","2017-12-13","2018-08-03","(1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide","2018-08-08"],["ZJI","N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide","C13 H17 N3 O3","O=C(N1CCN(CC1)C(=O)NC1CC1)c1ccco1;O=C(NC1CC1)N2CCN(CC2)C(=O)c3occc3;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NC3CC3","InChI=1S/C13H17N3O3/c17-12(11-2-1-9-19-11)15-5-7-16(8-6-15)13(18)14-10-3-4-10/h1-2,9-10H,3-8H2,(H,14,18)","","2023-03-14","2023-03-24","N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["E8K","[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate","C23 H27 N3 O4 S","O=C(OCC1CCN(CCN[S](=O)(=O)c2ccccc2)CC1)c3c[nH]c4ccccc34;c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4","InChI=1S/C23H27N3O4S/c27-23(21-16-24-22-9-5-4-8-20(21)22)30-17-18-10-13-26(14-11-18)15-12-25-31(28,29)19-6-2-1-3-7-19/h1-9,16,18,24-25H,10-15,17H2","","2018-03-02","2019-06-14","[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate","2019-06-19"],["ZJJ","3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C37 H46 F2 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CC(F)(F)C3)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CC(F)(F)C7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C37H46F2N6O9S/c1-21-31(41-28-15-23(52-3)11-12-26(28)40-21)53-24-16-29-30(46)43-37(33(48)44-55(50,51)35(2)13-14-35)17-22(37)9-7-5-4-6-8-10-27(32(47)45(29)20-24)42-34(49)54-25-18-36(38,39)19-25/h7,9,11-12,15,22,24-25,27,29H,4-6,8,10,13-14,16-20H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t22-,24-,27+,29+,37-/m1/s1","","2021-04-30","2022-03-11","3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-16"],["E8L","6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid","C20 H26 N2 O4","CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O;CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O","InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)","","2019-11-19","2020-11-13","6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid","2020-11-18"],["ZJK","1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","C27 H27 N4 O3 Ru2","O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6;c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc5)c6ccccc6)OCO4)O)c7ccccc7","InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;;/h2*1-10H,11H2;1H2;1H2;;/q3*-2;;+3;+4/p-1","","2023-06-27","2023-09-08","1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","2023-09-13"],["E8M","(3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide","C17 H30 N4 O3","C(N(C)C)c1nc(on1)C(CCCC2CCCCC2)CC(NO)=O;CN(C)Cc1noc(n1)[CH](CCCC2CCCCC2)CC(=O)NO;CN(C)Cc1nc(on1)C(CCCC2CCCCC2)CC(=O)NO","InChI=1S/C17H30N4O3/c1-21(2)12-15-18-17(24-20-15)14(11-16(22)19-23)10-6-9-13-7-4-3-5-8-13/h13-14,23H,3-12H2,1-2H3,(H,19,22)/t14-/m0/s1","","2017-12-13","2018-08-03","(3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide","2018-08-08"],["ZJM","(1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C38 H49 F N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCCC3F)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[CH]7CCC[CH]7F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6F)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C38H49FN6O9S/c1-22-33(41-29-18-24(52-3)14-15-27(29)40-22)53-25-19-30-32(46)43-38(35(48)44-55(50,51)37(2)16-17-37)20-23(38)10-7-5-4-6-8-12-28(34(47)45(30)21-25)42-36(49)54-31-13-9-11-26(31)39/h7,10,14-15,18,23,25-26,28,30-31H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b10-7-/t23-,25-,26-,28+,30+,31-,38-/m1/s1","","2021-04-30","2022-03-04","(1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-09"],["E8N","1-ethyl-1-methyl-cyclohexane","C9 H18","CCC1(C)CCCCC1;CCC1(CCCCC1)C","InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3","","2018-03-04","2024-09-27","1-ethyl-1-methyl-cyclohexane","2019-03-20"],["ZJN","(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide","C27 H29 N5 O4","O=C(N1CCN(CC1)C(=O)NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1;O=C(NNC(=O)N1CCN(CC1)C(=O)c2occc2)[CH]3Cc4ccccc4CN3Cc5ccccc5;c1ccc(cc1)CN2Cc3ccccc3CC2C(=O)NNC(=O)N4CCN(CC4)C(=O)c5ccco5","InChI=1S/C27H29N5O4/c33-25(28-29-27(35)31-14-12-30(13-15-31)26(34)24-11-6-16-36-24)23-17-21-9-4-5-10-22(21)19-32(23)18-20-7-2-1-3-8-20/h1-11,16,23H,12-15,17-19H2,(H,28,33)(H,29,35)/t23-/m0/s1","","2023-03-14","2023-03-24","(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide","2023-03-29"],["E8O","6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid","C21 H28 N2 O3","CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c2ccc(cn2)C(O)=O;CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O","InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)","","2019-11-19","2020-11-13","6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid","2020-11-18"],["ZJO","1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane","C26 H25 N4 O Ru2","O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5;c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4)c5ccccc5)O)c6ccccc6","InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;;;/h2*1-10H,11H2;1H2;;/q2*-2;;+2;+3/p-1","","2023-06-27","2023-09-08","1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane","2023-09-13"],["E8P","(2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid","C24 H33 N3 O6","C(CC(NO)=O)(C(=O)N2C1CCC(C1)C2C(=O)NC(C(O)=O)c3ccccc3)CCCCC;CCCCC[CH](CC(=O)NO)C(=O)N1[CH]2CC[CH](C2)[CH]1C(=O)N[CH](C(O)=O)c3ccccc3;CCCCCC(CC(=O)NO)C(=O)N1C2CCC(C2)C1C(=O)NC(c3ccccc3)C(=O)O","InChI=1S/C24H33N3O6/c1-2-3-5-10-17(14-19(28)26-33)23(30)27-18-12-11-16(13-18)21(27)22(29)25-20(24(31)32)15-8-6-4-7-9-15/h4,6-9,16-18,20-21,33H,2-3,5,10-14H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,17+,18+,20-,21-/m0/s1","","2017-12-13","2018-08-03","(2S)-({[(1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-2-azabicyclo[2.2.1]heptan-3-yl]carbonyl}amino)(phenyl)acetic acid (non-preferred name)","2018-08-08"],["ZJP","cyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C38 H50 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCCC3)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CCCC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C38H50N6O9S/c1-23-33(40-30-19-26(51-3)15-16-28(30)39-23)52-27-20-31-32(45)42-38(35(47)43-54(49,50)37(2)17-18-37)21-24(38)11-7-5-4-6-8-14-29(34(46)44(31)22-27)41-36(48)53-25-12-9-10-13-25/h7,11,15-16,19,24-25,27,29,31H,4-6,8-10,12-14,17-18,20-22H2,1-3H3,(H,41,48)(H,42,45)(H,43,47)/b11-7-/t24-,27-,29+,31+,38-/m1/s1","","2021-04-30","2022-08-26","cyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-08-31"],["ZJR","4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide","C13 H15 N3 O3","O=C(N1CCN(CC1)C(=O)NCC#C)c1ccco1;O=C(NCC#C)N1CCN(CC1)C(=O)c2occc2;C#CCNC(=O)N1CCN(CC1)C(=O)c2ccco2","InChI=1S/C13H15N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h1,3-4,10H,5-9H2,(H,14,18)","","2023-03-14","2023-03-24","4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide","2023-03-29"],["E8Q","2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid","C37 H74 N O7 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)CCN)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-44-46(41,42)32-31-38)45-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m0/s1","","2022-01-04","2022-08-22","2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid","2022-02-02"],["ZJS","N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)","C15 H22 N5 O7 P","C/C(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O;CC(C)=CCNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CC(=CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)C","InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1","","2021-04-30","2021-09-10","N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)","2021-09-15"],["E8R","(2R)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C16 H25 N3 O3","CC(C)C[CH](NC(=O)NCc1ccc(C)c(C)c1)C(=O)NO;Cc1ccc(cc1C)CNC(=O)NC(CC(C)C)C(=O)NO","InChI=1S/C16H25N3O3/c1-10(2)7-14(15(20)19-22)18-16(21)17-9-13-6-5-11(3)12(4)8-13/h5-6,8,10,14,22H,7,9H2,1-4H3,(H,19,20)(H2,17,18,21)/t14-/m1/s1","","2017-08-01","2018-07-27","(2~{R})-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["E8S","N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide","C22 H22 N2 O7 S2","c1cc(ccc1OC)S(=O)(N(C(Cc2cccs2)C(NO)=O)Cc4ccc3OCOc3c4)=O;COc1ccc(cc1)[S](=O)(=O)N(Cc2ccc3OCOc3c2)[CH](Cc4sccc4)C(=O)NO;COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(Cc4cccs4)C(=O)NO","InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1","","2017-12-13","2018-08-03","N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide","2018-08-08"],["ZJT","(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid","C13 H9 F O2 S","O=C(O)c1cc2CCc3cc(F)ccc3c2s1;OC(=O)c1sc2c(CCc3cc(F)ccc23)c1;c1cc-2c(cc1F)CCc3c2sc(c3)C(=O)O","InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16)","","2023-06-27","2024-04-26","(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid","2024-05-01"],["E8T","(1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione","C29 H40 N2 O5","CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCCC[CH]5NC(=O)C(=C(O)C=C[CH]4C[CH](O)[CH]3[CH]2[CH]1C)C5=O;CCC1CC2CC3C4CC=CC(=O)NCCCC5C(=O)C(=C(C=CC4CC(C3C2C1C)O)O)C(=O)N5","InChI=1S/C29H40N2O5/c1-3-16-12-18-13-20-19-6-4-8-24(34)30-11-5-7-21-28(35)27(29(36)31-21)22(32)10-9-17(19)14-23(33)26(20)25(18)15(16)2/h4,8-10,15-21,23,25-26,32-33H,3,5-7,11-14H2,1-2H3,(H,30,34)(H,31,36)/b8-4-,10-9+,27-22-/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-/m0/s1","10-epi-deOH-HSAF","2023-06-14","2023-11-17","","2023-11-22"],["ZJU","N-SUCCINYL-ASPARTIC ACID","C8 H11 N O7","OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O;C(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C8H11NO7/c10-5(1-2-6(11)12)9-4(8(15)16)3-7(13)14/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t4-/m0/s1","2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid","2024-01-22","2024-09-27","2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid","2024-04-24"],["ZJV","(2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C36 H45 F3 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[CH](C)C(F)(F)F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22+,24+,26-,28-,35+/m0/s1","","2021-04-30","2022-03-04","(2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-09"],["E8U","(4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid","C7 H10 O6","O=C(C(=O)O)CC(O)CCC(=O)O;O[CH](CCC(O)=O)CC(=O)C(O)=O;C(CC(=O)O)C(CC(=O)C(=O)O)O","InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m1/s1","","2012-08-07","2024-09-27","(4R)-4-hydroxy-2-oxoheptanedioic acid","2012-08-24"],["E8V","4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)","C17 H10 F4 N2 O2","c1(cnc(N)c(c1)c2cc(c(c(c2)F)O)F)c3cc(c(c(c3)F)O)F;Nc1ncc(cc1c2cc(F)c(O)c(F)c2)c3cc(F)c(O)c(F)c3;c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F","InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)","","2017-12-13","2017-12-15","4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)","2017-12-20"],["ZJW","N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide","C17 H24 N6 O2 S","Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1cnnc1CC;CCc1nncn1CCNC(=O)N2CCN(CC2)C(=O)c3sc(C)cc3;CCc1nncn1CCNC(=O)N2CCN(CC2)C(=O)c3ccc(s3)C","InChI=1S/C17H24N6O2S/c1-3-15-20-19-12-23(15)7-6-18-17(25)22-10-8-21(9-11-22)16(24)14-5-4-13(2)26-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,25)","","2023-03-14","2023-03-24","N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["E8W","2-[methoxy(methyl)phosphoryl]oxypropane","C5 H13 O3 P","CO[P](C)(=O)OC(C)C;CC(C)OP(=O)(C)OC","InChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3/t9-/m0/s1","","2018-03-05","2019-03-15","2-[methoxy(methyl)phosphoryl]oxypropane","2019-03-20"],["ZJX","1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine","C17 H18 Cl F N6","CC1(N)CCN(CC1)c1nc2[NH]nc(c2nc1)c1cccc(Cl)c1F;CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c4F)n2;CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4F)Cl)N","InChI=1S/C17H18ClFN6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)","","2023-06-27","2023-10-06","1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine","2023-10-11"],["ZJY","[1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C38 H47 F3 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(CC3)C(F)(F)F)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OCC7(CC7)C(F)(F)F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-17-24(54-3)11-12-26(28)42-22)56-25-18-29-30(48)45-37(33(50)46-57(52,53)35(2)13-14-35)19-23(37)9-7-5-4-6-8-10-27(32(49)47(29)20-25)44-34(51)55-21-36(15-16-36)38(39,40)41/h7,9,11-12,17,23,25,27,29H,4-6,8,10,13-16,18-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b9-7-/t23-,25-,27+,29+,37-/m1/s1","","2021-04-30","2022-03-04","[1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-09"],["E8X","(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid","C12 H23 N O4","CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O;CCCCCCC1C(C(C(CN1)O)O)C(=O)O","InChI=1S/C12H23NO4/c1-2-3-4-5-6-8-10(12(16)17)11(15)9(14)7-13-8/h8-11,13-15H,2-7H2,1H3,(H,16,17)/t8-,9+,10-,11-/m0/s1","","2019-11-21","2021-01-22","(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid","2021-01-27"],["ZJZ","7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine","C14 H12 Cl N4 Pt S","NC(=S)NN=C(c1cc(Cl)ccc1N)c2ccccc2[Pt];c1ccc2c(c1)C(=[N]3[Pt]2[S]=C(N3)N)c4cc(ccc4N)Cl","InChI=1S/C14H12ClN4S.Pt/c15-10-6-7-12(16)11(8-10)13(18-19-14(17)20)9-4-2-1-3-5-9;/h1-4,6-8H,16H2,(H3,17,19,20);/b18-13-;","","2023-04-01","2024-03-22","7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine","2024-03-27"],["E8Y","4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile","C16 H12 F3 N3","FC(F)(F)c1cc(ccc1)Nc1cccc2CN(Cc21)C#N;FC(F)(F)c1cccc(Nc2cccc3CN(Cc23)C#N)c1;c1cc(cc(c1)Nc2cccc3c2CN(C3)C#N)C(F)(F)F","InChI=1S/C16H12F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h1-7,21H,8-9H2","","2021-12-06","2024-09-27","4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile","2023-06-14"],["ZK0","N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide","C21 H30 N4 O2","O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C)C(C)(C)c2c1;CC1=Nc2ccc(cc2C1(C)C)C(=O)N3CCN(CC3)C(=O)NC(C)(C)C;CC1=Nc2ccc(cc2C1(C)C)C(=O)N3CCN(CC3)C(=O)NC(C)(C)C","InChI=1S/C21H30N4O2/c1-14-21(5,6)16-13-15(7-8-17(16)22-14)18(26)24-9-11-25(12-10-24)19(27)23-20(2,3)4/h7-8,13H,9-12H2,1-6H3,(H,23,27)","","2023-03-14","2023-03-24","N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide","2023-03-29"],["E8Z","~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide","C18 H15 N O3","Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C;Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O","InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)","","2018-03-05","2018-04-20","~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide","2018-04-25"],["E90","4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide","C12 H11 N3 O3 S2","O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2;N[S](=O)(=O)c1ccc(cc1)C(=O)CSc2ncccn2;c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)","","2011-06-10","2012-04-06","4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide",""],["ZK1","{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid","C14 H15 F3 N3 O6 P","O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F;c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F","InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)","[[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid","2009-11-13","2020-06-17","[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid",""],["ZK2","(2-methylphenyl)methanol","C8 H10 O","Cc1ccccc1CO;Cc1ccccc1CO","InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3","","2023-06-27","2024-09-27","(2-methylphenyl)methanol","2023-11-15"],["E91","4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid","C21 H14 N2 O2","O=C(O)c1ccc(cc1)C=NN=C4/c2ccccc2c3c4cccc3;OC(=O)c1ccc(cc1)C=NN=C2c3ccccc3c4ccccc24;c1ccc2c(c1)-c3ccccc3C2=NN=Cc4ccc(cc4)C(=O)O","InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+","","2014-10-20","2014-12-12","4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid","2014-12-17"],["E92","~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide","C16 H10 Cl N O3","Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1;c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl","InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)","","2018-03-05","2018-04-20","~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide","2018-04-25"],["ZK4","(1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C40 H51 F3 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C3CCCC3)C(F)(F)F)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[CH](C7CCCC7)C(F)(F)F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C40H51F3N6O9S/c1-23-34(45-30-19-26(56-3)15-16-28(30)44-23)57-27-20-31-33(50)47-39(36(52)48-59(54,55)38(2)17-18-38)21-25(39)13-7-5-4-6-8-14-29(35(51)49(31)22-27)46-37(53)58-32(40(41,42)43)24-11-9-10-12-24/h7,13,15-16,19,24-25,27,29,31-32H,4-6,8-12,14,17-18,20-22H2,1-3H3,(H,46,53)(H,47,50)(H,48,52)/b13-7-/t25-,27-,29+,31+,32-,39-/m1/s1","","2021-04-30","2022-03-04","(1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-09"],["ZK5","9ALPHA-FLUOROCORTISOL","C21 H29 F O5","O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)CC1)CCC4C2CC3)C)C;C[C]12C[CH](O)[C]3(F)[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[C]2(O)C(=O)CO;CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F","InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1","","2001-12-27","2011-06-04","(11alpha)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione",""],["E93","ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate","C22 H24 N2 O2","CCOC(=O)c1cc2cc(ccc2n1CC3CCCC3)c4ccncc4;CCOC(=O)c1cc2cc(ccc2n1CC3CCCC3)c4ccncc4","InChI=1S/C22H24N2O2/c1-2-26-22(25)21-14-19-13-18(17-9-11-23-12-10-17)7-8-20(19)24(21)15-16-5-3-4-6-16/h7-14,16H,2-6,15H2,1H3","","2022-01-04","2022-12-23","ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate","2022-12-28"],["ZK6","4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide","C16 H17 N3 O3","O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1;O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3occc3;c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3","InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21)","","2023-03-14","2023-03-24","4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide","2023-03-29"],["E94","4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile","C28 H27 Cl N6 O S","Clc5cccc(c2c(sc(NCCN1CCCCC1)c2C#N)c3nc(ncc3)Nc4cccc(O)c4)c5;Oc1cccc(Nc2nccc(n2)c3sc(NCCN4CCCCC4)c(C#N)c3c5cccc(Cl)c5)c1;c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N","InChI=1S/C28H27ClN6OS/c29-20-7-4-6-19(16-20)25-23(18-30)27(31-12-15-35-13-2-1-3-14-35)37-26(25)24-10-11-32-28(34-24)33-21-8-5-9-22(36)17-21/h4-11,16-17,31,36H,1-3,12-15H2,(H,32,33,34)","","2012-07-09","2012-08-24","4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile","2012-08-24"],["E95","7-Methyl-L-Tryptophan","C12 H14 N2 O2","Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12;Cc1cccc2c1[nH]cc2CC(C(=O)O)N","InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1","","2018-03-06","2024-09-27","(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid","2019-02-13"],["ZK7","1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C38 H47 F3 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3(CCC3)C(F)(F)F)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(CCC7)C(F)(F)F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-18-24(54-3)12-13-26(28)42-22)55-25-19-29-30(48)45-37(33(50)46-57(52,53)35(2)16-17-35)20-23(37)10-7-5-4-6-8-11-27(32(49)47(29)21-25)44-34(51)56-36(14-9-15-36)38(39,40)41/h7,10,12-13,18,23,25,27,29H,4-6,8-9,11,14-17,19-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b10-7-/t23-,25-,27+,29+,37-/m1/s1","","2021-04-30","2022-03-04","1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-09"],["E96","4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE]","C26 H18 N4 O2","Oc1ccc(cc1)c6nc5ccc(c4cc2c(nc(n2)c3ccc(O)cc3)cc4)cc5n6;Oc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6;c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O","InChI=1S/C26H18N4O2/c31-19-7-1-15(2-8-19)25-27-21-11-5-17(13-23(21)29-25)18-6-12-22-24(14-18)30-26(28-22)16-3-9-20(32)10-4-16/h1-14,31-32H,(H,27,29)(H,28,30)","","1999-07-08","2011-06-04","4,4'-(3H,3'H-5,5'-bibenzimidazole-2,2'-diyl)diphenol",""],["ZK8","hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid","C16 H21 N2 O4 P","CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O;CCCCCCP(=O)(O)Oc1cccnc1c2c(cccn2)O","InChI=1S/C16H21N2O4P/c1-2-3-4-5-12-23(20,21)22-14-9-7-11-18-16(14)15-13(19)8-6-10-17-15/h6-11,19H,2-5,12H2,1H3,(H,20,21)","","2023-06-27","2024-09-27","hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid","2023-07-05"],["E97","[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE","C36 H40 N6 O2","O(c1ccc(cc1)c6nc5ccc(c4ccc2c(nc(n2)c3ccc(OCCCN(C)C)cc3)c4)cc5n6)CCCN(C)C;CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5nc([nH]c5c4)c6ccc(OCCCN(C)C)cc6;CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C","InChI=1S/C36H40N6O2/c1-41(2)19-5-21-43-29-13-7-25(8-14-29)35-37-31-17-11-27(23-33(31)39-35)28-12-18-32-34(24-28)40-36(38-32)26-9-15-30(16-10-26)44-22-6-20-42(3)4/h7-18,23-24H,5-6,19-22H2,1-4H3,(H,37,39)(H,38,40)","","2000-09-14","2011-06-04","3,3'-[1H,3'H-5,5'-bibenzimidazole-2,2'-diylbis(benzene-4,1-diyloxy)]bis(N,N-dimethylpropan-1-amine)",""],["ZK9","[3-AMINOMETHYLPHENYL-OXY-]-[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE","C20 H20 F2 N4 O2","Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(c2)C[NH3+])c(F)c3C;Cc1c(F)c(Oc2cccc(C[NH3+])c2)nc(Oc3cccc(c3)C(N)=[NH2+])c1F;Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F","InChI=1S/C20H18F2N4O2/c1-11-16(21)19(27-14-6-2-4-12(8-14)10-23)26-20(17(11)22)28-15-7-3-5-13(9-15)18(24)25/h2-9H,10,23H2,1H3,(H3,24,25)/p+2","ZK-806299","1999-08-24","2021-03-01","{amino[3-({6-[3-(ammoniomethyl)phenoxy]-3,5-difluoro-4-methylpyridin-2-yl}oxy)phenyl]methylidene}ammonium",""],["E98","~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide","C16 H10 F N O3","Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1;c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F","InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)","","2018-03-06","2018-04-20","~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide","2018-04-25"],["ZKA","(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C38 H50 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OCC7(C)CC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C38H50N6O9S/c1-23-32(40-29-18-25(51-4)12-13-27(29)39-23)53-26-19-30-31(45)42-38(34(47)43-54(49,50)37(3)16-17-37)20-24(38)10-8-6-5-7-9-11-28(33(46)44(30)21-26)41-35(48)52-22-36(2)14-15-36/h8,10,12-13,18,24,26,28,30H,5-7,9,11,14-17,19-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b10-8-/t24-,26-,28+,30+,38-/m1/s1","","2021-04-30","2022-03-11","(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-16"],["ZKC","tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate","C22 H28 N4 O5","O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccco1;CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCN(CC2)C(=O)c3occc3)c1;CC(C)(C)OC(=O)Nc1cccc(c1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3","InChI=1S/C22H28N4O5/c1-22(2,3)31-21(29)24-17-7-4-6-16(14-17)15-23-20(28)26-11-9-25(10-12-26)19(27)18-8-5-13-30-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)(H,24,29)","","2023-03-14","2023-03-24","tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate","2023-03-29"],["E9A","1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium","C27 H35 N2 O3","CC(C)C1CCC(C)CC1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1;C[CH]1CC[CH](C(C)C)[CH](C1)OC(=O)C[n+]2c(COc3ccccc3)n(C)c4ccccc24;CC1CCC(C(C1)OC(=O)C[n+]2c3ccccc3n(c2COc4ccccc4)C)C(C)C","InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1/t20-,22+,25+/m0/s1","","2017-12-13","2024-04-25","1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium","2018-12-12"],["ZKD","URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE","C17 H27 N3 O16 P2 S","O=P(SC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1S[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1SP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)39-38(31,32)36-37(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1","","2010-06-07","2011-06-04","S-[(2R,3S,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen thiodiphosphate (non-preferred name)",""],["E9B","S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate","C15 H9 N3 O4 S2","[O-][N+](=O)c1sc(cc1)C(=O)Sc2oc(C=Cc3ccccc3)nn2;c1ccc(cc1)C=Cc2nnc(o2)SC(=O)c3ccc(s3)[N+](=O)[O-]","InChI=1S/C15H9N3O4S2/c19-14(11-7-9-13(23-11)18(20)21)24-15-17-16-12(22-15)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+","","2022-04-19","2022-04-22","~{S}-[5-[(~{E})-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate","2022-04-27"],["ZKE","Mevaldyl-Coenzyme A","C27 H46 N7 O20 P3 S","O=C(O)CC(C)(O)CC(O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O;C[C](O)(C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)CC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CC(C)(CC(=O)O)O)O)O","InChI=1S/C27H46N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,17,19-21,25,38-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,17-,19-,20-,21+,25-,27+/m1/s1","(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name)","2023-06-27","2024-03-15","(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name)","2024-03-20"],["E9C","(2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid","C9 H9 N O5","N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O;C1C(=O)C(=CC(=O)C1=O)CC(C(=O)O)N","InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2,5H,1,3,10H2,(H,14,15)/t5-/m0/s1/i3D2","","2019-11-22","2024-09-27","(2~{S})-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid","2020-04-29"],["ZKG","ZIRCONIUM(IV) PHOSPHOTUNGSTATE KEGGIN","O39 P W11 Zr","O=[W]123O[Zr]45O[W]67(=O)(O[PH]89[O]%10%11[W]%12%13(=O)(O4)O[W]%14%15(=O)(O5)O[W]%16%17(=O)(O6)O[W]%18%19(=O)(O7)O[W]%20%21(=O)(O1)O[W]%10(=O)(O2)(O%12)O[W]%11%22(=O)(O%13)O[W](=O)(O%14)(O%16)(O[W](=O)(O%20)(O%18)(O%22)[O]8%19%21)[O]9%15%17)O3;O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2","InChI=1S/HO4P.35O.11W.Zr/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2015-02-05","2015-07-30","","2015-07-29"],["E9D","Heteroaryldihydropyrimidine tetramethylrodamine","C51 H48 Cl F N8 O7","O=C(OC)c1c(nc(nc1CN1CCN(CC1)C(=O)CCCNC(=O)c1cc(C=2c3ccc(cc3OC3=CC(C=CC=23)=[N+](/C)C)N(C)C)c(cc1)C([O-])=O)c1ccccn1)c1ccc(F)cc1Cl;COC(=O)c1c(CN2CCN(CC2)C(=O)CCCNC(=O)c3ccc(C([O-])=O)c(c3)C4=C5C=CC(C=C5Oc6cc(ccc46)N(C)C)=[N+](C)C)nc(nc1c7ccc(F)cc7Cl)c8ccccn8;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC","InChI=1S/C51H48ClFN8O7/c1-58(2)32-13-17-36-42(27-32)68-43-28-33(59(3)4)14-18-37(43)45(36)38-25-30(11-15-34(38)50(64)65)49(63)55-20-8-10-44(62)61-23-21-60(22-24-61)29-41-46(51(66)67-5)47(35-16-12-31(53)26-39(35)52)57-48(56-41)40-9-6-7-19-54-40/h6-7,9,11-19,25-28H,8,10,20-24,29H2,1-5H3,(H-,55,63,64,65)","HAP-TAMRA","2017-12-13","2022-04-05","(2P)-4-{[4-(4-{[(2M,6M)-6-(2-chloro-4-fluorophenyl)-5-(methoxycarbonyl)-2-(pyridin-2-yl)pyrimidin-4-yl]methyl}piperazin-1-yl)-4-oxobutyl]carbamoyl}-2-{[4aP,9(9a)P]-6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl}benzoate","2018-02-07"],["ZKH","N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","C13 H19 N3 O3 S","O=C(N1CCN(CC1)C(=O)NCCOC)c1cccs1;COCCNC(=O)N1CCN(CC1)C(=O)c2sccc2;COCCNC(=O)N1CCN(CC1)C(=O)c2cccs2","InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18)","","2023-03-14","2023-03-24","N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["E9E","1-[methoxy(methyl)phosphoryl]oxyethane","C4 H11 O3 P","CCO[P](C)(=O)OC;CCOP(=O)(C)OC","InChI=1S/C4H11O3P/c1-4-7-8(3,5)6-2/h4H2,1-3H3/t8-/m0/s1","","2018-03-06","2019-03-22","1-[methoxy(methyl)phosphoryl]oxyethane","2019-03-27"],["E9F","4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine","C20 H24 N6 O2 S","CS(=N)(=O)C1(CC1)c1nc(nc(c1)c1ccnc2[NH]ccc21)N1CCOCC1C;C[CH]1COCCN1c2nc(cc(n2)C3(CC3)[S](C)(=N)=O)c4ccnc5[nH]ccc45;CC1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5","InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)19-24-16(14-3-7-22-18-15(14)4-8-23-18)11-17(25-19)20(5-6-20)29(2,21)27/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1","","2021-12-06","2022-01-14","4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine","2022-01-19"],["ZKI","6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine","C17 H14 Cl2 N4 O","Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CCOC1;Clc1cc2c(N[CH]3CCOC3)nnc(c4ccncc4)c2cc1Cl;c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCOC4)Cl)Cl","InChI=1S/C17H14Cl2N4O/c18-14-7-12-13(8-15(14)19)17(21-11-3-6-24-9-11)23-22-16(12)10-1-4-20-5-2-10/h1-2,4-5,7-8,11H,3,6,9H2,(H,21,23)/t11-/m1/s1","","2023-06-27","2024-11-22","6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine","2024-11-27"],["E9G","{hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid","C10 H11 N O4","c1cccc(C(C)N(C(=O)C(O)=O)O)c1;C[CH](N(O)C(=O)C(O)=O)c1ccccc1;CC(c1ccccc1)N(C(=O)C(=O)O)O","InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)/t7-/m0/s1","","2017-12-13","2018-12-07","{hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid","2018-12-12"],["ZKJ","(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C36 H45 F3 N6 O9 S","CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[CH](C)C(F)(F)F)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22-,24-,26+,28+,35-/m1/s1","","2021-04-30","2022-03-11","(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2022-03-16"],["E9H","hexadecyl dihydrogen phosphate","C16 H35 O4 P","CCCCCCCCCCCCCCCCO[P](O)(O)=O;CCCCCCCCCCCCCCCCOP(=O)(O)O","InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)","","2018-03-06","2024-09-27","hexadecyl dihydrogen phosphate","2018-10-24"],["ZKK","(2S)-Methylsuccinyl-CoA","C26 H42 N7 O19 P3 S","C[CH](CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(CC(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,18+,19+,20-,24+/m0/s1","(3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid","2023-06-28","2023-07-07","(3~{S})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid","2023-07-12"],["E9I","2-(3,4-dimethoxyphenyl)ethanamide","C10 H13 N O3","COc1ccc(CC(N)=O)cc1OC;COc1ccc(cc1OC)CC(=O)N","InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)","","2022-01-04","2022-12-23","2-(3,4-dimethoxyphenyl)ethanamide","2022-12-28"],["ZKL","(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide","C15 H23 N3 O3","O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1;CCCCNC(=O)N1CCN(C[CH]1C)C(=O)c2occc2;CCCCNC(=O)N1CCN(CC1C)C(=O)c2ccco2","InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1","","2023-03-14","2023-03-24","(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide","2023-03-29"],["ZKM","N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide","C40 H77 N O11 S","CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)NC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1","","2021-04-30","2021-07-23","N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}hexadecanamide","2021-07-28"],["E9J","oxo{[(1S)-1-phenylethyl]amino}acetic acid","C10 H11 N O3","C(C(NC(C)c1ccccc1)=O)(O)=O;C[CH](NC(=O)C(O)=O)c1ccccc1;CC(c1ccccc1)NC(=O)C(=O)O","InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1","","2017-12-13","2018-12-07","oxo{[(1S)-1-phenylethyl]amino}acetic acid","2018-12-12"],["ZKO","N-SUCCINYL-GLUTAMINE","C9 H14 N2 O6","NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O;C(CC(=O)N)C(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1","5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid","2024-01-22","2024-09-27","5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid","2024-04-24"],["E9K","(1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol","C7 H13 N O3","OC[CH]1C[CH]2N[CH]2[CH](O)[CH]1O;C1C(C(C(C2C1N2)O)O)CO","InChI=1S/C7H13NO3/c9-2-3-1-4-5(8-4)7(11)6(3)10/h3-11H,1-2H2/t3-,4-,5-,6-,7-/m1/s1","","2018-03-06","2019-09-13","(1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol","2019-09-18"],["ZKP","FE3-S4 methylated cluster","C H3 Fe3 S4","CS[Fe]1S[Fe]S[Fe]S1;C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3","InChI=1S/CH3S.3Fe.3S/c1-2;;;;;;/h1H3;;;;;;","","2021-05-01","2021-09-10","","2021-09-15"],["E9L","(1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium","C16 H15 N2 O","O=C2N=C(C=C1C2=CC=C[NH+]1C)c3ccc(cc3)C;C[NH+]1C=CC=C2C(=O)N=C(C=C12)c3ccc(C)cc3;Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C","InChI=1S/C16H14N2O/c1-11-5-7-12(8-6-11)14-10-15-13(16(19)17-14)4-3-9-18(15)2/h3-10H,1-2H3/p+1","","2014-08-19","2015-06-05","(1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium","2015-06-10"],["E9M","N-methyl-L-tryptophan","C12 H14 N2 O2","N(C)C(Cc1cnc2c1cccc2)C(=O)O;CN[CH](Cc1c[nH]c2ccccc12)C(O)=O;CNC(Cc1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1","","2017-12-14","2024-09-27","N-methyl-L-tryptophan","2018-12-19"],["ZKQ","N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C16 H16 F N3 O3","O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1;Fc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3;c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)F","InChI=1S/C16H16FN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)","","2023-03-14","2023-03-24","N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["ZKR","[5-(trifluoromethyl)thiophen-2-yl]boronic acid","C5 H4 B F3 O2 S","FC(F)(F)c1ccc(s1)B(O)O;OB(O)c1sc(cc1)C(F)(F)F;B(c1ccc(s1)C(F)(F)F)(O)O","InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H","","2023-06-28","2024-09-27","[5-(trifluoromethyl)thiophen-2-yl]boronic acid","2024-07-17"],["E9N","(2~{R})-2-(phenylmethylsulfanyl)butanedioic acid","C11 H12 O4 S","OC(=O)C[CH](SCc1ccccc1)C(O)=O;c1ccc(cc1)CSC(CC(=O)O)C(=O)O","InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1","","2018-03-07","2024-09-27","(2~{R})-2-(phenylmethylsulfanyl)butanedioic acid","2018-03-21"],["E9O","(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid","C15 H29 N O4","CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O;CCCCCCCCCC1C(C(C(CN1)O)O)C(=O)O","InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1","","2019-11-25","2021-01-22","(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid","2021-01-27"],["ZKS","(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H19 O27 P7","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1","","2021-05-03","2022-02-25","(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","2022-03-02"],["ZKU","4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide","C15 H16 N4 O3","O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1;O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3;c1ccnc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3","InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21)","","2023-03-14","2023-03-24","4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide","2023-03-29"],["E9P","5-ETHYL-2-PHENOXYPHENOL","C14 H14 O2","O(c1ccccc1)c2ccc(cc2O)CC;CCc1ccc(Oc2ccccc2)c(O)c1;CCc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3","","2012-03-04","2014-09-05","5-ethyl-2-phenoxyphenol",""],["E9Q","5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile","C8 H11 N5","Nc1[nH]nc(N2CCCC2)c1C#N;C1CCN(C1)c2c(c([nH]n2)N)C#N","InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)","","2018-03-07","2018-03-09","5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile","2018-03-14"],["ZKV","(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone","C20 H22 Cl F2 N3 O","Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl)c3)nc1;Cc1ccc(nc1)CNCC2(CCN(CC2)C(=O)c3ccc(c(c3)Cl)F)F","InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3","","2023-06-28","2024-05-24","(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone","2024-05-29"],["E9R","(2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid","C20 H25 N2 O6","OCc1cc[n+](CCCC[CH](NC(=O)OCc2ccccc2)C(O)=O)cc1O;c1ccc(cc1)COC(=O)NC(CCCC[n+]2ccc(c(c2)O)CO)C(=O)O","InChI=1S/C20H24N2O6/c23-13-16-9-11-22(12-18(16)24)10-5-4-8-17(19(25)26)21-20(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,9,11-12,17,23H,4-5,8,10,13-14H2,(H2-,21,24,25,26,27)/p+1/t17-/m0/s1","","2019-11-26","2020-11-20","(2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid","2020-11-25"],["ZKW","1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid","C12 H8 Cl2 N2 O4","O=C(O)c1cc(nn1Cc2c(Cl)cc(Cl)cc2)C(=O)O;OC(=O)c1cc(n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O;c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O","InChI=1S/C12H8Cl2N2O4/c13-7-2-1-6(8(14)3-7)5-16-10(12(19)20)4-9(15-16)11(17)18/h1-4H,5H2,(H,17,18)(H,19,20)","","2014-12-03","2015-08-14","1-(2,4-dichlorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid","2015-08-19"],["E9S","(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid","C10 H7 Br O5","c1ccc(c(c1C([C@H]=C(C(O)=O)O)=O)Br)O;OC(=O)C(O)=CC(=O)c1cccc(O)c1Br;c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O","InChI=1S/C10H7BrO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-4,12,14H,(H,15,16)/b8-4-","","2017-12-14","2018-08-31","(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid","2018-09-05"],["ZKZ","N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide","C18 H21 N3 O4","CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1;CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc2;CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc3ccccc3","InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23)","","2023-03-14","2023-03-24","N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide","2023-03-29"],["E9T","6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid","C27 H26 O3","OC(=O)c1ccc2cc(ccc2c1)c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5;c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O","InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)/t16-,17+,18-,27-","","2018-03-09","2018-05-18","6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid","2018-05-23"],["ZL1","N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","C27 H20 F2 N4 O4","O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=CN(c2ccc(F)cc2)C1=O)C1CC1;Fc1ccc(cc1)N2C=CC=C(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)C2=O;c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F","InChI=1S/C27H20F2N4O4/c28-17-5-8-19(9-6-17)33-13-1-2-21(27(33)36)26(35)31-18-7-10-23(22(29)14-18)37-20-11-12-30-24(15-20)32-25(34)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,35)(H,30,32,34)","","2021-05-03","2021-11-12","N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","2021-11-17"],["E9U","(2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid","C15 H22 N3 O9 P S","Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCSC[CH](N)C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCSCC(C(=O)O)N)C(=O)O)O","InChI=1S/C15H22N3O9PS/c1-8-13(19)10(9(4-17-8)6-27-28(24,25)26)5-18-12(15(22)23)2-3-29-7-11(16)14(20)21/h4-5,11-12,19H,2-3,6-7,16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/b18-5+/t11-,12-/m0/s1","","2019-11-27","2020-10-02","(2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid","2020-10-07"],["ZL3","(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide","C14 H21 N3 O3","O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1;CC(C)NC(=O)N1CCN([CH](C)C1)C(=O)c2occc2;CC1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C","InChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1","","2023-03-14","2023-03-24","(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide","2023-03-29"],["ZL4","(1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name)","C37 H54 N5 O4","CCC(O)(O)CCCCCC1NC(=O)C2CC32CCN(CCCCCCCC[n+]2ccc4cc(ccc4c2O)c2cnc1[NH]2)CC3;CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CC23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4O)c6[nH]c1nc6)CC3;CCC(CCCCCC1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)CC6C(=O)N1)(O)O","InChI=1S/C37H53N5O4/c1-2-37(45,46)16-9-7-8-12-31-33-38-26-32(39-33)28-13-14-29-27(24-28)15-21-42(35(29)44)20-11-6-4-3-5-10-19-41-22-17-36(18-23-41)25-30(36)34(43)40-31/h13-15,21,24,26,30-31,45-46H,2-12,16-20,22-23,25H2,1H3,(H2,38,39,40,43,44)/p+1/t30-,31+/m1/s1","","2021-05-04","2021-07-09","(1S,3S,6S,27R)-6-(6,6-dihydroxyoctyl)-32-hydroxy-4-oxo-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16,18(32)-heptaen-18-ium (non-preferred name)","2021-07-14"],["E9V","N-methyl-L-histidine","C7 H11 N3 O2","CNC(Cc1cnc[NH]1)C(=O)O;CN[CH](Cc1[nH]cnc1)C(O)=O;CNC(Cc1cnc[nH]1)C(=O)O","InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1","","2017-12-14","2024-09-27","N-methyl-L-histidine","2018-04-18"],["E9W","azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium","C15 H18 N9 O4 S","Nc1ncnc2n([CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O)c(SCC(=O)NCC#C)nc12;C#CCNC(=O)CSc1nc2c(ncnc2n1C3C(C(C(O3)CN=[N+]=N)O)O)N","InChI=1S/C15H17N9O4S/c1-2-3-18-8(25)5-29-15-22-9-12(16)19-6-20-13(9)24(15)14-11(27)10(26)7(28-14)4-21-23-17/h1,6-7,10-11,14,17,26-27H,3-5H2,(H2-,16,18,19,20,25)/p+1/t7-,10-,11-,14-/m1/s1","","2018-03-12","2019-03-15","azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium","2019-03-20"],["ZL5","3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole","C18 H14 F4 N6","Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C)c23)nn1;Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c4cccc(C)c24)n1;Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C","InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3","","2021-07-21","2021-09-10","3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole","2021-09-15"],["ZL6","2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid","C28 H33 N3 O3","CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4;CCc1cc(cc(c1Nc2cccc(c2C(=O)O)CN3CCCOCC3)CC)c4ccncc4","InChI=1S/C28H33N3O3/c1-3-20-17-24(22-9-11-29-12-10-22)18-21(4-2)27(20)30-25-8-5-7-23(26(25)28(32)33)19-31-13-6-15-34-16-14-31/h5,7-12,17-18,30H,3-4,6,13-16,19H2,1-2H3,(H,32,33)","","2023-03-30","2024-02-09","2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid","2024-02-14"],["E9X","1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine","C21 H27 Cl N6 O","CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3;CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C","InChI=1S/C21H27ClN6O/c1-21(2)26-19(23)25-20(24)28(21)29-14-6-13-27(15-16-7-4-3-5-8-16)18-11-9-17(22)10-12-18/h3-5,7-12H,6,13-15H2,1-2H3,(H4,23,24,25,26)","","2019-11-28","2020-11-27","1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine","2020-12-02"],["E9Y","1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline","C17 H18 N4 O2","c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C;COc1ccc2N(CCCc2c1)c3nc(C)nc4onc(C)c34;Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC","InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3","","2017-12-15","2018-06-22","1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline","2018-06-27"],["ZL7","(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)","C23 H31 F4 N3 O5 S","OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1;CC[CH](NC(=O)[CH](C[S](=O)(=O)CC1CC1)N[CH](c2ccc(F)cc2)C(F)(F)F)[CH](O)C(=O)NC3CC3;CCC(C(C(=O)NC1CC1)O)NC(=O)C(CS(=O)(=O)CC2CC2)NC(c3ccc(cc3)F)C(F)(F)F","InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1","","2021-05-04","2024-09-27","(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)","2021-05-12"],["ZL8","4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide","C23 H27 Cl N4 O3 S","Clc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1CCc2sccc2C1;Clc1cccc(c1)C(=O)N2CCCN(CC2)C(=O)NCCC(=O)N3CCc4sccc4C3;c1cc(cc(c1)Cl)C(=O)N2CCCN(CC2)C(=O)NCCC(=O)N3CCc4c(ccs4)C3","InChI=1S/C23H27ClN4O3S/c24-19-4-1-3-17(15-19)22(30)26-9-2-10-27(13-12-26)23(31)25-8-5-21(29)28-11-6-20-18(16-28)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13,16H2,(H,25,31)","","2023-03-14","2023-03-24","4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide","2023-03-29"],["E9Z","5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine","C16 H19 Cl N4 O2","Clc1cnc(nc1NC2CC2)Nc3ccc(OCCOC)cc3;COCCOc1ccc(Nc2ncc(Cl)c(NC3CC3)n2)cc1;COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl","InChI=1S/C16H19ClN4O2/c1-22-8-9-23-13-6-4-12(5-7-13)20-16-18-10-14(17)15(21-16)19-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,19,20,21)","","2011-01-28","2012-01-13","5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine",""],["EA0","2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide","C13 H17 Cl N6 O2","CC1(C)N=C(N)N=C(N)N1OCC(=O)Nc2ccc(Cl)cc2;CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C","InChI=1S/C13H17ClN6O2/c1-13(2)19-11(15)18-12(16)20(13)22-7-10(21)17-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,17,21)(H4,15,16,18,19)","","2019-11-28","2020-11-27","2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-~{N}-(4-chlorophenyl)ethanamide","2020-12-02"],["ZL9","6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one","C20 H24 N2 O5","COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2;COc1ccccc1OCCNCCCOc2ccc3c(c2)NC(=O)CO3","InChI=1S/C20H24N2O5/c1-24-18-5-2-3-6-19(18)26-12-10-21-9-4-11-25-15-7-8-17-16(13-15)22-20(23)14-27-17/h2-3,5-8,13,21H,4,9-12,14H2,1H3,(H,22,23)","","2023-06-28","2024-05-24","6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one","2024-05-29"],["ZLA","1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid","C33 H35 N7 O4","O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1)n1cc(nn1)CNC(=O)c1cnc2ccccc2n1)C1CC1;OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(n4cc(CNC(=O)c5cnc6ccccc6n5)nn4)c(c2)C7CC7;c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7","InChI=1S/C33H35N7O4/c41-29(37-33(32(43)44)12-4-1-5-13-33)16-20-14-24(21-8-9-21)30(25(15-20)22-10-11-22)40-19-23(38-39-40)17-35-31(42)28-18-34-26-6-2-3-7-27(26)36-28/h2-3,6-7,14-15,18-19,21-22H,1,4-5,8-13,16-17H2,(H,35,42)(H,37,41)(H,43,44)","","2021-05-04","2021-09-24","1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid","2021-09-29"],["EA1","3H-IMIDAZO[2,1-I]PURINE","C7 H5 N5","n2cnc3ncn1c(ncc1)c23;[nH]1cnc2c1ncn3ccnc23;c1cn2cnc3c(c2n1)nc[nH]3","InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)","1,N6-ETHENOADENINE","2003-07-07","2021-03-13","3H-imidazo[2,1-i]purine",""],["ZLC","4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide","C16 H19 N3 O3 S","O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o1;Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3sccc3;Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccs3","InChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21)","","2023-03-14","2023-03-24","4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide","2023-03-29"],["EA2","AMINOETHANOLPYROPHOSPHATE","C2 H9 N O7 P2","O=P(O)(OP(=O)(OCCN)O)O;NCCO[P](O)(=O)O[P](O)(O)=O;C(COP(=O)(O)OP(=O)(O)O)N","InChI=1S/C2H9NO7P2/c3-1-2-9-12(7,8)10-11(4,5)6/h1-3H2,(H,7,8)(H2,4,5,6)","","1999-10-01","2011-06-04","2-aminoethyl trihydrogen diphosphate",""],["ZLD","N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide","C16 H20 F N3 O4","O=C1OC(CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3;CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3","InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1","Linezolid","2008-06-03","2020-06-17","N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide",""],["EA3","4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide","C15 H21 Cl N2 O4 S2","N[S](=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Cl;c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO","InChI=1S/C15H21ClN2O4S2/c16-12-9-13(23-10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)24(17,21)22/h8-10,19H,1-7H2,(H,18,20)(H2,17,21,22)","","2019-03-27","2019-12-13","4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide","2019-12-18"],["EA4","ethyl N-[(4-aminobenzyl)carbamoyl]glycinate","C12 H17 N3 O3","O=C(OCC)CNC(=O)NCc1ccc(N)cc1;CCOC(=O)CNC(=O)NCc1ccc(N)cc1;CCOC(=O)CNC(=O)NCc1ccc(cc1)N","InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17)","","2011-04-04","2012-03-16","ethyl N-[(4-aminobenzyl)carbamoyl]glycinate",""],["ZLE","~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide","C14 H15 N3 O","CCC(=O)Nc1cccc(c1)c2ccnc(N)c2;CCC(=O)Nc1cccc(c1)c2ccnc(c2)N","InChI=1S/C14H15N3O/c1-2-14(18)17-12-5-3-4-10(8-12)11-6-7-16-13(15)9-11/h3-9H,2H2,1H3,(H2,15,16)(H,17,18)","","2023-06-28","2024-09-27","~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide","2023-09-20"],["EA5","(4S)-4-AMINO-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]PENTANOIC ACID","C13 H22 N3 O7 P","O=C(O)CCC(N)CNCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNC[CH](N)CCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(CCC(=O)O)N)O","InChI=1S/C13H22N3O7P/c1-8-13(19)11(6-15-5-10(14)2-3-12(17)18)9(4-16-8)7-23-24(20,21)22/h4,10,15,19H,2-3,5-7,14H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m0/s1","","2006-07-18","2011-06-04","(4S)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid",""],["ZLF","S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE","C11 H14 F N O2 S","Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1;Cc1cc(cc(c1)F)CSCC(C(=O)O)N","InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1","2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid","2024-01-22","2024-09-27","2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid","2024-04-24"],["EA6","1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine","C14 H19 Cl F N5 O2","CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl;CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C","InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)","","2019-11-28","2020-11-06","1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine","2020-11-11"],["ZLG","antabactin","C34 H35 F N6 O4","O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1)n1cc(nn1)CNC(=O)c1ccc2cc(F)ccc2n1)C1CC1;OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(n4cc(CNC(=O)c5ccc6cc(F)ccc6n5)nn4)c(c2)C7CC7;c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7","InChI=1S/C34H35FN6O4/c35-24-9-11-28-23(17-24)8-10-29(37-28)32(43)36-18-25-19-41(40-39-25)31-26(21-4-5-21)14-20(15-27(31)22-6-7-22)16-30(42)38-34(33(44)45)12-2-1-3-13-34/h8-11,14-15,17,19,21-22H,1-7,12-13,16,18H2,(H,36,43)(H,38,42)(H,44,45)","1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid","2021-05-05","2021-09-24","1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid","2021-09-29"],["EA7","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C17 H15 F2 N5 O2","C1(C)N(C)c2nc(ncc2N(CC#C)C1=O)Nc3cc(F)c(c(c3)F)O;C[CH]1N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#C)C1=O;CC1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C","InChI=1S/C17H15F2N5O2/c1-4-5-24-13-8-20-17(22-15(13)23(3)9(2)16(24)26)21-10-6-11(18)14(25)12(19)7-10/h1,6-9,25H,5H2,2-3H3,(H,20,21,22)/t9-/m1/s1","","2017-12-17","2018-02-16","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2018-01-10"],["ZLH","(2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide","C15 H21 N3 O3","O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1;C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3;CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3","InChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m0/s1","","2023-03-14","2023-03-24","(2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide","2023-03-29"],["EA9","(4R)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one","C27 H26 N4 O4","CCCOc1ccc(cc1OC)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24;CCCOc1ccc(cc1OC)C2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O","InChI=1S/C27H26N4O4/c1-3-13-35-21-11-10-18(14-22(21)34-2)26-23-24(19-8-4-5-9-20(19)32)29-30-25(23)27(33)31(26)16-17-7-6-12-28-15-17/h4-12,14-15,26,32H,3,13,16H2,1-2H3,(H,29,30)/t26-/m1/s1","","2019-12-03","2021-05-21","(4~{R})-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one","2021-05-26"],["ZLI","~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide","C14 H15 N O S","Cc1ccc(CNC(=O)Cc2sccc2)cc1;Cc1ccc(cc1)CNC(=O)Cc2cccs2","InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)","","2023-06-28","2024-01-26","~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide","2024-01-31"],["ZLJ","2-chloroethane-1-sulfonic acid","C2 H5 Cl O3 S","ClCCS(=O)(=O)O;O[S](=O)(=O)CCCl;C(CCl)S(=O)(=O)O","InChI=1S/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)","","2021-05-05","2021-09-17","2-chloroethane-1-sulfonic acid","2021-09-22"],["EAA","ETHACRYNIC ACID","C13 H12 Cl2 O4","Clc1c(C(=O)C(=C)CC)ccc(OCC(=O)O)c1Cl;CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl;CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O","InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)","","1999-07-08","2011-06-04","[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid",""],["ZLK","zafirlukast","C31 H33 N3 O6 S","COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)N[S](=O)(=O)c5ccccc5C;Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C","InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","","2019-06-12","2019-10-25","cyclopentyl ~{N}-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate","2019-10-30"],["EAB","(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID","C15 H15 N3 O2","O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2;NCc1cccc(c1)N=Nc2cccc(CC(O)=O)c2;c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O","InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+","","2006-06-01","2024-09-27","(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid",""],["ZLL","4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide","C19 H20 Br F2 N3 O","Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc3)c1;c1cc(ccc1CNC(=O)N2CCN(CC2)Cc3cc(cc(c3)F)F)Br","InChI=1S/C19H20BrF2N3O/c20-16-3-1-14(2-4-16)12-23-19(26)25-7-5-24(6-8-25)13-15-9-17(21)11-18(22)10-15/h1-4,9-11H,5-8,12-13H2,(H,23,26)","","2022-12-02","2023-09-22","4-[[3,5-bis(fluoranyl)phenyl]methyl]-~{N}-[(4-bromophenyl)methyl]piperazine-1-carboxamide","2023-09-27"],["EAC","ethyl 3-oxobutanoate","C6 H10 O3","O=C(C)CC(=O)OCC;CCOC(=O)CC(C)=O;CCOC(=O)CC(=O)C","InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3","","2012-08-10","2012-08-17","ethyl 3-oxobutanoate",""],["ZLM","(1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide","C33 H47 N5 O4","O=C1c2ccc(cc2C=CN1CC)c1cnc([NH]1)C(CCCCCC(O)(O)CC)NC(=O)C1CC21CCN(CC)CC2;CCN1CCC2(CC1)C[CH]2C(=O)N[CH](CCCCCC(O)(O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C=Cc5c4;CCC(CCCCCC(c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)C4CC45CCN(CC5)CC)(O)O","InChI=1S/C33H47N5O4/c1-4-33(41,42)14-9-7-8-10-27(36-30(39)26-21-32(26)15-18-37(5-2)19-16-32)29-34-22-28(35-29)24-11-12-25-23(20-24)13-17-38(6-3)31(25)40/h11-13,17,20,22,26-27,41-42H,4-10,14-16,18-19,21H2,1-3H3,(H,34,35)(H,36,39)/t26-,27+/m1/s1","","2021-05-05","2021-07-09","(1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide","2021-07-14"],["EAD","{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C29 H36 N8 O15 P2","CCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;CCc1cc(ccn1)C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C29H36N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,15,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H2,31,43)(H,44,45)(H,46,47)(H2,30,33,34)/t15-,17+,18+,21+,22+,23+,24+,28+,29+/m0/s1","2-ETHYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE","2006-06-14","2021-03-01","[[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-ethylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["EAE","(1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one","C13 H15 N O2 S","CCN1C(Sc2ccc(OC)cc12)=CC(C)=O;CCN1c2cc(ccc2SC1=CC(=O)C)OC","InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-","","2018-03-12","2018-07-13","(1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one","2018-07-18"],["ZLO","~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide","C5 H7 N3 O S2","CSc1nsc(NC(C)=O)n1;CC(=O)Nc1nc(ns1)SC","InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)","","2023-06-28","2024-01-26","~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide","2024-01-31"],["EAF","(4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one","C25 H22 N4 O3","CCOc1ccc(cc1)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24;CCOc1ccc(cc1)C2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O","InChI=1S/C25H22N4O3/c1-2-32-18-11-9-17(10-12-18)24-21-22(19-7-3-4-8-20(19)30)27-28-23(21)25(31)29(24)15-16-6-5-13-26-14-16/h3-14,24,30H,2,15H2,1H3,(H,27,28)/t24-/m1/s1","","2019-12-03","2021-05-21","(4~{R})-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one","2021-05-26"],["ZLP","(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H44 N4 O10 S","O=S(=O)(c2cc1OC(=N/C)Nc1cc2)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCCOC)COC4OC3)Cc5ccccc5;COCCO[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc5NC(Oc5c4)=NC)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)OC(=NC)N5","InChI=1S/C32H44N4O10S/c1-20(2)16-36(47(39,40)22-10-11-23-26(15-22)45-31(33-3)34-23)17-25(37)24(14-21-8-6-5-7-9-21)35-32(38)46-28-19-44-30-29(28)27(18-43-30)42-13-12-41-4/h5-11,15,20,24-25,27-30,37H,12-14,16-19H2,1-4H3,(H,33,34)(H,35,38)/t24-,25+,27-,28-,29-,30+/m0/s1","","2015-02-05","2015-05-01","(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2015-05-06"],["ZLS","(1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide","C32 H46 N4 O3","CN1CCC2(CC2C(=O)NC(CCCCCC(O)(O)CC)c2nc(c[NH]2)c2ccc3C4CCC(C4)c3c2)CC1;CCC(O)(O)CCCCC[CH](NC(=O)[CH]1CC12CCN(C)CC2)c3[nH]cc(n3)c4ccc5[CH]6CC[CH](C6)c5c4;CCC(CCCCCC(c1[nH]cc(n1)c2ccc3c(c2)C4CCC3C4)NC(=O)C5CC56CCN(CC6)C)(O)O","InChI=1S/C32H46N4O3/c1-3-32(38,39)12-6-4-5-7-27(35-30(37)26-19-31(26)13-15-36(2)16-14-31)29-33-20-28(34-29)23-10-11-24-21-8-9-22(17-21)25(24)18-23/h10-11,18,20-22,26-27,38-39H,3-9,12-17,19H2,1-2H3,(H,33,34)(H,35,37)/t21-,22+,26-,27+/m1/s1","","2021-05-05","2021-07-09","(1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide","2021-07-14"],["EAG","2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C10 H20 N2 O6","O=C(NC1C(O)C(O)C(OC1OCCN)CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN;CC(=O)NC1C(C(C(OC1OCCN)CO)O)O","InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1","2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside; 2-AMINOETHYL N-ACETYL-D-GLUCOSAMINE; 2-aminoethyl\n2-acetamido-2-deoxy-beta-D-glucoside; 2-aminoethyl 2-acetamido-2-deoxy-D-glucoside; 2-aminoethyl\n2-acetamido-2-deoxy-glucoside","2008-01-23","2020-07-17","2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside",""],["EAH","(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid","C20 H32 O3","O=C(O)CCCC(O)C/C=C/C=C/C=CCC=C/CCCCC;CCCCCC=CCC=CC=CC=CC[CH](O)CCCC(O)=O;CCCCCC=CCC=CC=CC=CCC(CCCC(=O)O)O","InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-14,19,21H,2-5,8,15-18H2,1H3,(H,22,23)/b7-6-,10-9-,12-11+,14-13+/t19-/m1/s1","","2008-08-05","2011-06-04","(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid",""],["ZLT","~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide","C10 H12 N2 O3 S","O=C(NC(=S)N1CCOCC1)c2occc2;c1cc(oc1)C(=O)NC(=S)N2CCOCC2","InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16)","","2023-06-28","2024-01-26","~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide","2024-01-31"],["ZLV","(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one","C27 H40 N4 O4","CCC(O)(O)CCCCCC1NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2;CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CCN2CCCCCOc3ccccc3c4[nH]c1nc4;CCC(CCCCCC1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CCC4C(=O)N1)(O)O","InChI=1S/C27H40N4O4/c1-2-27(33,34)15-8-3-5-12-21-25-28-19-22(29-25)20-11-6-7-13-24(20)35-18-10-4-9-16-31-17-14-23(31)26(32)30-21/h6-7,11,13,19,21,23,33-34H,2-5,8-10,12,14-18H2,1H3,(H,28,29)(H,30,32)/t21-,23+/m0/s1","","2021-05-05","2021-07-09","(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one","2021-07-14"],["EAI","~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","C17 H20 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2;CC1(CCC(=O)C(C1)C(=O)OCc2ccccc2)C(=O)OC","InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m0/s1","","2023-07-18","2024-09-27","~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","2024-07-24"],["ZLW","N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","C12 H18 N4 O3","O=C(N1CCN(CC1)C(=O)NCCN)c1ccco1;NCCNC(=O)N1CCN(CC1)C(=O)c2occc2;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCCN","InChI=1S/C12H18N4O3/c13-3-4-14-12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,13H2,(H,14,18)","","2023-03-14","2023-03-24","N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["EAJ","3-(2-methoxyphenyl)benzoic acid","C14 H12 O3","COc1ccccc1c2cccc(c2)C(O)=O;COc1ccccc1c2cccc(c2)C(=O)O","InChI=1S/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)","","2017-07-27","2018-01-05","3-(2-methoxyphenyl)benzoic acid","2018-01-10"],["ZLX","methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate","C11 H13 N O5","COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2;COC(=O)C1CC(CN1C(=O)c2ccco2)O","InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1","","2023-06-28","2024-01-26","methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate","2024-01-31"],["EAL","1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE","C18 H24 N2 O5","O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)C)CCC2;C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O;CC(C(=O)N1CCCC1C(=O)O)NC(CCc2ccccc2)C(=O)O","InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1","ENALAPRILAT INHIBITOR","2004-03-11","2021-03-01","N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline",""],["EAM","2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide","C22 H22 Cl N5 O2","Clc4ccc(C1=NC(c3nnc(n3c2c1cc(OC)cc2)C)CC(=O)NCC)cc4;CCNC(=O)C[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14;CCNC(=O)CC1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C","InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1","","2010-11-07","2011-06-04","2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide",""],["ZLY","(4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid","C38 H44 N4 O6","O=C(O)Cc1ccc(cc1)C1CC(=O)NC2(CCCCC2)C(=O)NC(CC(N)=O)C(=O)NCC(Cc2cccc3ccccc32)CC=C1;NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)C[CH](C=CC[CH](CNC1=O)Cc3cccc4ccccc34)c5ccc(CC(O)=O)cc5;c1ccc2c(c1)cccc2CC3CC=CC(CC(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O","InChI=1S/C38H44N4O6/c39-33(43)23-32-36(47)40-24-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)21-35(45)46)22-34(44)42-38(37(48)41-32)18-4-1-5-19-38/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,39,43)(H,40,47)(H,41,48)(H,42,44)(H,45,46)/b11-6+/t26-,29-,32-/m0/s1","","2021-05-06","2021-09-17","(4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid","2021-09-22"],["ZM0","4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide","C19 H27 N3 O2 S2","CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C(=O)c1cc2sccc2s1;C[CH](CNC(=O)N1CCN(CC1)C(=O)c2sc3ccsc3c2)C(C)(C)C;CC(CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2)ccs3)C(C)(C)C","InChI=1S/C19H27N3O2S2/c1-13(19(2,3)4)12-20-18(24)22-8-6-21(7-9-22)17(23)16-11-15-14(26-16)5-10-25-15/h5,10-11,13H,6-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1","","2023-03-14","2023-03-24","4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide","2023-03-29"],["EAN","[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate","C13 H17 N2 O8 P","CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC3(CC4CC4(C3O2)OP(=O)(O)O)O","InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1","","2018-03-12","2019-05-06","[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate","2018-06-06"],["EAO","3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione","C12 H11 N O6","CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O;CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C","InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3","","2019-12-04","2022-03-01","3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione","2020-03-04"],["ZM1","2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose","C8 H16 N O8 P","O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O;CC(=O)N[CH](C=O)[CH](O)[CH](O)CCO[P](O)(O)=O;CC(=O)NC(C=O)C(C(CCOP(=O)(O)O)O)O","InChI=1S/C8H16NO8P/c1-5(11)9-6(4-10)8(13)7(12)2-3-17-18(14,15)16/h4,6-8,12-13H,2-3H2,1H3,(H,9,11)(H2,14,15,16)/t6-,7-,8-/m1/s1","","2021-05-06","2022-04-15","2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose","2022-04-20"],["EAP","2-AMINO-VINYL-PHOSPHATE","C2 H6 N O4 P","O=P(OC=CN)(O)O;NC=CO[P](O)(O)=O;C(=COP(=O)(O)O)N","InChI=1S/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+","","1999-07-08","2011-06-04","(E)-2-aminoethenyl dihydrogen phosphate",""],["ZM2","(1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H18 O24 P6","O=P(O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6-/m0/s1","","2022-01-21","2022-06-10","(1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","2022-06-15"],["ZM3","MYCINAMICIN III","C36 H59 N O11","O=C3C=CC=CC(COC1OC(C(O)C(O)C1OC)C)C(OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC3C)CC;CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O[CH](C)[CH](O)[CH](O)[CH]3OC;CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(C(O3)C)O)O)OC","InChI=1S/C36H59NO11/c1-10-28-25(19-44-36-34(43-9)32(42)30(40)24(6)46-36)13-11-12-14-27(38)21(3)17-22(4)33(20(2)15-16-29(39)47-28)48-35-31(41)26(37(7)8)18-23(5)45-35/h11-16,20-26,28,30-36,40-42H,10,17-19H2,1-9H3/b13-11+,14-12+,16-15+/t20-,21+,22-,23+,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+/m0/s1","","2011-01-19","2013-01-18","[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside",""],["EAQ","6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide","C20 H20 N6 O","CC(C)(C)c1ccc(cn1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4;CC(C)(C)c1ccc(cn1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4","InChI=1S/C20H20N6O/c1-20(2,3)16-6-4-13(8-21-16)19(27)25-17-12-26-11-14(5-7-18(26)24-17)15-9-22-23-10-15/h4-12H,1-3H3,(H,22,23)(H,25,27)","","2018-03-12","2025-12-15","6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide","2018-07-18"],["ZM4","3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide","C24 H25 N5 O","CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1C)c1ccc(cc1)C(N)=O;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(ccc2C)c3ccc(cc3)C(N)=O;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(ccc2C)c3ccc(cc3)C(=O)N","InChI=1S/C24H25N5O/c1-4-21-19(22(25)29-24(27)28-21)12-6-15(3)20-13-18(7-5-14(20)2)16-8-10-17(11-9-16)23(26)30/h5,7-11,13,15H,4H2,1-3H3,(H2,26,30)(H4,25,27,28,29)/t15-/m0/s1","","2021-05-06","2022-05-06","3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide","2022-05-11"],["EAR","ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate","C17 H16 Cl N3 O3","CCOC(=O)CN1C(=CC(=O)n2cc(nc12)c3ccc(Cl)cc3)C;CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl","InChI=1S/C17H16ClN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3","","2019-12-04","2020-03-13","ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate","2020-03-18"],["EAS","5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide","C25 H27 Cl2 N5 O","n5c1ccc(Cl)cc1c(CC(C(NC4CCN(Cc3c2c(ccc(Cl)c2)nc3)CC4)=O)N)c5;N[CH](Cc1c[nH]c2ccc(Cl)cc12)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45;c1cc2c(cc1Cl)c(c[nH]2)CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N","InChI=1S/C25H27Cl2N5O/c26-17-1-3-23-20(10-17)15(12-29-23)9-22(28)25(33)31-19-5-7-32(8-6-19)14-16-13-30-24-4-2-18(27)11-21(16)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1","","2017-12-17","2018-10-19","5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide","2018-10-24"],["ZM5","(2R)-2-(tridecanoyloxy)propyl hexadecanoate","C32 H62 O5","CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC","InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-18-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1","(3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate","2024-01-22","2024-09-27","(3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate","2024-04-17"],["EAT","(2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol","C12 H15 N3 O2","OC3C(c2nc1ccccc1n2)NC(C)C3O;C[CH]1N[CH]([CH](O)[CH]1O)c2[nH]c3ccccc3n2;CC1C(C(C(N1)c2[nH]c3ccccc3n2)O)O","InChI=1S/C12H15N3O2/c1-6-10(16)11(17)9(13-6)12-14-7-4-2-3-5-8(7)15-12/h2-6,9-11,13,16-17H,1H3,(H,14,15)/t6-,9+,10+,11-/m0/s1","","2013-02-19","2013-05-03","(2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol","2013-05-08"],["ZM6","N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide","C16 H19 Cl2 N3 O2","O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1;Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)C(=O)NCC3CC3;c1cc(c(cc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl)Cl","InChI=1S/C16H19Cl2N3O2/c17-13-4-3-12(9-14(13)18)15(22)20-5-7-21(8-6-20)16(23)19-10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)","","2023-03-14","2023-03-24","N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide","2023-03-29"],["EAU","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide","C16 H21 N7 O2","NC(=N)NC(=O)c1nc(c2occc2)c(nc1N)N3CCCCCC3;c1cc(oc1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3","InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-6-5-9-25-10)14(21-13)23-7-3-1-2-4-8-23/h5-6,9H,1-4,7-8H2,(H2,17,21)(H4,18,19,22,24)","","2018-02-15","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide","2018-12-19"],["ZM7","(2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine","C17 H20 N2 S","CN(C)C(C)CN1c2ccccc2Sc2ccccc12;C[CH](CN1c2ccccc2Sc3ccccc13)N(C)C;CC(CN1c2ccccc2Sc3c1cccc3)N(C)C","InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/t13-/m1/s1","","2021-05-07","2022-05-06","(2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine","2022-05-11"],["ZM8","1-[4-(cyclopropylamino)piperidin-1-yl]ethanone","C10 H18 N2 O","CC(=O)N1CCC(CC1)NC2CC2;CC(=O)N1CCC(CC1)NC2CC2","InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3","","2023-06-28","2024-01-26","1-[4-(cyclopropylamino)piperidin-1-yl]ethanone","2024-01-31"],["EAV","N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-L-tryptophanamide","C26 H30 Cl N5 O","N(C(C(Cc2c1ccc(C)cc1nc2)N)=O)C3CCN(CC3)Cc4c5c(nc4)ccc(Cl)c5;Cc1ccc2c(C[CH](N)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45)c[nH]c2c1;Cc1ccc2c(c1)[nH]cc2CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N","InChI=1S/C26H30ClN5O/c1-16-2-4-21-17(13-30-25(21)10-16)11-23(28)26(33)31-20-6-8-32(9-7-20)15-18-14-29-24-5-3-19(27)12-22(18)24/h2-5,10,12-14,20,23,29-30H,6-9,11,15,28H2,1H3,(H,31,33)/t23-/m0/s1","","2017-12-17","2018-10-19","N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-L-tryptophanamide","2018-10-24"],["ZMA","4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol","C16 H15 N7 O2","n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4)N;Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4occc4;c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O","InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)","","2008-09-25","2011-06-04","4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",""],["EAW","N-(2-bromophenyl)pyrrolidine-1-sulfonamide","C10 H13 Br N2 O2 S","Brc1ccccc1N[S](=O)(=O)N2CCCC2;c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br","InChI=1S/C10H13BrN2O2S/c11-9-5-1-2-6-10(9)12-16(14,15)13-7-3-4-8-13/h1-2,5-6,12H,3-4,7-8H2","","2018-03-12","2019-03-15","~{N}-(2-bromophenyl)pyrrolidine-1-sulfonamide","2019-03-20"],["ZMB","methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate","C13 H23 N O8","O=C(OC)C(C)COC1OC(CO)C(O)C(O)C1NC(C)=O;COC(=O)[CH](C)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(COC1C(C(C(C(O1)CO)O)O)NC(=O)C)C(=O)OC","InChI=1S/C13H23NO8/c1-6(12(19)20-3)5-21-13-9(14-7(2)16)11(18)10(17)8(4-15)22-13/h6,8-11,13,15,17-18H,4-5H2,1-3H3,(H,14,16)/t6-,8+,9+,10+,11+,13+/m0/s1","","2023-03-14","2023-05-19","methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate","2023-05-24"],["EAX","(2R,3R)-2,3,4-trihydroxybutanoic acid","C4 H8 O5","O=C(O)C(O)C(O)CO;OC[CH](O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)O","InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1","erythronic acid","2014-04-07","2021-03-01","(2R,3R)-2,3,4-trihydroxybutanoic acid","2014-05-07"],["ZMC","~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine","C14 H14 N2 O2","C1Oc2ccc(CNCc3ccncc3)cc2O1;c1cc2c(cc1CNCc3ccncc3)OCO2","InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2","","2023-06-28","2024-01-26","~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine","2024-01-31"],["EAY","(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid","C7 H7 N O4","[N@H]=C1C(C(O)=O)=CC=COC1O;O[CH]1OC=CC=C(C(O)=O)C1=N;C1=COC(C(=N)C(=C1)C(=O)O)O","InChI=1S/C7H7NO4/c8-5-4(6(9)10)2-1-3-12-7(5)11/h1-3,7-8,11H,(H,9,10)/b8-5+/t7-/m1/s1","","2017-12-18","2020-07-24","(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid","2020-07-29"],["EAZ","(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine","C19 H24 N4 O","CC(C)C[CH](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2;Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OCC(CC(C)C)N","InChI=1S/C19H24N4O/c1-12(2)6-16(20)11-24-17-7-15(9-21-10-17)14-4-5-19-18(8-14)13(3)22-23-19/h4-5,7-10,12,16H,6,11,20H2,1-3H3,(H,22,23)/t16-/m0/s1","","2018-03-12","2018-07-13","(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine","2018-07-18"],["ZMD","(3S)-2,1-benzoxaborole-1,3(3H)-diol","C7 H7 B O3","OB1OC(O)c2ccccc12;OB1O[CH](O)c2ccccc12;B1(c2ccccc2C(O1)O)O","InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1","","2021-05-07","2024-09-27","(3S)-2,1-benzoxaborole-1,3(3H)-diol","2021-08-11"],["EB0","1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","C19 H15 F N2 O3 S","CCN2C(=O)c1c3c(ccc1)c(ccc23)S(=O)(=O)Nc4ccc(F)cc4;CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)Nc4ccc(F)cc4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F","InChI=1S/C19H15FN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3","","2015-07-29","2016-01-08","1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","2016-01-13"],["ZME","6-(3-methyl-1H-pyrrol-1-yl)-9H-purine","C10 H9 N5","Cc1ccn(c1)c2c3c(ncn2)ncn3;Cc1ccn(c1)c2ncnc3[nH]cnc23;Cc1ccn(c1)c2c3c([nH]cn3)ncn2","InChI=1S/C10H9N5/c1-7-2-3-15(4-7)10-8-9(12-5-11-8)13-6-14-10/h2-6H,1H3,(H,11,12,13,14)","","2016-01-12","2016-04-29","6-(3-methyl-1H-pyrrol-1-yl)-9H-purine","2016-05-04"],["ZMG","(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one","C12 H13 F N2 O S","Fc1ccccc1NC2=NC(=O)C(S2)C(C)C;CC(C)[CH]1SC(=NC1=O)Nc2ccccc2F;CC(C)C1C(=O)N=C(S1)Nc2ccccc2F","InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1","(R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one","2008-01-09","2021-03-01","(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one",""],["EB1","SEOCALCITOL","C30 H46 O3","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C=CC=CC(O)(CC)CC)C)CCC12)CC(O)C3;CCC(O)(CC)C=CC=C[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CCC(CC)(C=CC=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O","InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1","5-{2-[1-(6-ETHYL-6-HYDROXY-1-METHYL-OCTA-2,4-DIENYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLO\nHEXANE-1,3-DIOL; 22-24-DIENE-24A,26A,27A,TRIHOMO-1ALPHA,25-DIHYDROXYVITAMIN D3","2004-01-14","2020-06-17","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methylocta-2,4-dien-1-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["EB2","N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","C20 H24 N2 O3 S","C1CCCCCC1NS(=O)(c2c4c3c(cc2)N(C(c3ccc4)=O)CC)=O;CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)NC4CCCCCC4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4","InChI=1S/C20H24N2O3S/c1-2-22-17-12-13-18(15-10-7-11-16(19(15)17)20(22)23)26(24,25)21-14-8-5-3-4-6-9-14/h7,10-14,21H,2-6,8-9H2,1H3","","2015-07-29","2016-01-08","N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","2016-01-13"],["ZMH","(6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide","C18 H18 Br F2 N5 O2","Fc1ccc(cc1Br)NC(=O)N1Cc2c3C(=O)N(C)CC(F)Cn3nc2CC1;CN1C[CH](F)Cn2nc3CCN(Cc3c2C1=O)C(=O)Nc4ccc(F)c(Br)c4;CN1CC(Cn2c(c3c(n2)CCN(C3)C(=O)Nc4ccc(c(c4)Br)F)C1=O)F","InChI=1S/C18H18BrF2N5O2/c1-24-7-10(20)8-26-16(17(24)27)12-9-25(5-4-15(12)23-26)18(28)22-11-2-3-14(21)13(19)6-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,22,28)/t10-/m1/s1","","2023-03-15","2023-04-07","(6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide","2023-04-12"],["ZMI","~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide","C11 H10 F N3 O2","Cc1onc(c1)C(=O)NNc2ccccc2F;Cc1cc(no1)C(=O)NNc2ccccc2F","InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)","","2023-06-28","2024-01-26","~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide","2024-01-31"],["EB3","N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","C19 H22 N2 O3 S","C1C(CCCC1)NS(=O)(c3ccc2N(C(c4c2c3ccc4)=O)CC)=O;CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)NC4CCCCC4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4","InChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3","","2015-07-29","2016-01-08","N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","2016-01-13"],["ZMJ","N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide","C18 H18 N2 O3 S","CCS(=O)(=O)Nc1cccc(c1)C1=CN(C)C(=O)c2ccccc12;CC[S](=O)(=O)Nc1cccc(c1)C2=CN(C)C(=O)c3ccccc23;CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2cccc3)C","InChI=1S/C18H18N2O3S/c1-3-24(22,23)19-14-8-6-7-13(11-14)17-12-20(2)18(21)16-10-5-4-9-15(16)17/h4-12,19H,3H2,1-2H3","","2021-05-07","2022-07-29","N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide","2022-08-03"],["EB4","N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)","C30 H27 N3 O15","O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O;Oc1cccc(C(=O)N[CH]2COC(=O)[CH](COC(=O)[CH](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O;c1cc(c(c(c1)O)O)C(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O","InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1","Enterobactin","2008-04-08","2021-03-01","N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)",""],["EB5","N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","C15 H16 N2 O3 S","CCNS(=O)(c2ccc1N(C(c3c1c2ccc3)=O)CC)=O;CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23;CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC","InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3","","2015-07-29","2016-01-08","N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","2016-01-13"],["ZMK","methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate","C19 H35 N2 O10 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCCCCC(=O)OC;COC(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O","InChI=1S/C19H35N2O10PS/c1-19(2,13-31-32(27,28)29)17(25)18(26)21-10-9-14(22)20-11-12-33-16(24)8-6-4-5-7-15(23)30-3/h17,25H,4-13H2,1-3H3,(H,20,22)(H,21,26)(H2,27,28,29)/t17-/m1/s1","","2012-05-01","2024-09-27","methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate","2012-10-12"],["EB6","methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate","C33 H27 N O7","COC(=O)[CH](Cc1ccc(OC(=O)C#Cc2ccc(OC)cc2O)cc1)Nc3ccccc3C(=O)c4ccccc4;COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)CC(C(=O)OC)Nc3ccccc3C(=O)c4ccccc4","InChI=1S/C33H27NO7/c1-39-26-18-14-23(30(35)21-26)15-19-31(36)41-25-16-12-22(13-17-25)20-29(33(38)40-2)34-28-11-7-6-10-27(28)32(37)24-8-4-3-5-9-24/h3-14,16-18,21,29,34-35H,20H2,1-2H3/t29-/m0/s1","","2019-12-06","2020-02-07","methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate","2020-02-12"],["ZMM","2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one","C20 H18 N2 O2","O=C1CCCN1c1cccc(c1)C1=CN(C)C(=O)c2ccccc12;CN1C=C(c2cccc(c2)N3CCCC3=O)c4ccccc4C1=O;CN1C=C(c2ccccc2C1=O)c3cccc(c3)N4CCCC4=O","InChI=1S/C20H18N2O2/c1-21-13-18(16-8-2-3-9-17(16)20(21)24)14-6-4-7-15(12-14)22-11-5-10-19(22)23/h2-4,6-9,12-13H,5,10-11H2,1H3","","2021-05-07","2022-07-29","2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one","2022-08-03"],["EB7","2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide","C19 H14 Cl F N2 O3 S","Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC;CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23;CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F","InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3","","2015-07-29","2016-01-08","2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide","2016-01-13"],["ZMN","4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide","C20 H24 Br N3 O4","O=C(N1CCN(CC1)C(=O)NCCCOc1cc(C)ccc1)c1ccc(Br)o1;Cc1cccc(OCCCNC(=O)N2CCN(CC2)C(=O)c3oc(Br)cc3)c1;Cc1cccc(c1)OCCCNC(=O)N2CCN(CC2)C(=O)c3ccc(o3)Br","InChI=1S/C20H24BrN3O4/c1-15-4-2-5-16(14-15)27-13-3-8-22-20(26)24-11-9-23(10-12-24)19(25)17-6-7-18(21)28-17/h2,4-7,14H,3,8-13H2,1H3,(H,22,26)","","2023-03-16","2023-03-24","4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide","2023-03-29"],["EB8","methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate","C21 H18 N2 O5 S","CCN1c3c2c(C1=O)cccc2c(cc3)NS(=O)(c4c(cccc4)C(OC)=O)=O;CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4C(=O)OC)ccc1c23;CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC","InChI=1S/C21H18N2O5S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)20(23)24)22-29(26,27)18-10-5-4-7-14(18)21(25)28-2/h4-12,22H,3H2,1-2H3","","2015-07-29","2016-01-08","methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate","2016-01-13"],["ZMO","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate","C29 H55 N2 O8 P S","OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C/CCCCCCCC)O;CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C29H55N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(33)41-23-22-30-25(32)20-21-31-28(35)27(34)29(2,3)24-39-40(36,37)38/h11-12,27,34H,4-10,13-24H2,1-3H3,(H,30,32)(H,31,35)(H2,36,37,38)/b12-11-/t27-/m1/s1","","2008-09-23","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate",""],["ZMP","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate","C25 H49 N2 O8 P S","OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O;CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1","","2008-09-19","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate",""],["EB9","N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide","C19 H16 N2 O3 S","CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4ccccc4;CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4)ccc1c23;CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4","InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3","","2015-07-29","2016-01-08","N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide","2016-01-13"],["ZMQ","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate","C27 H51 N2 O8 P S","OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C/CCCCCC)O;CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C27H51N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h9-10,25,32H,4-8,11-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/b10-9-/t25-/m1/s1","","2008-09-19","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate",""],["EBB","7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one","C15 H14 N4 O S","Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ncccn3;Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3","InChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20)","","2018-03-13","2019-02-15","7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one","2019-02-20"],["ZMR","ZANAMIVIR","C12 H20 N4 O7","C(=O)(O)C1=CC(C(NC(=O)C)C(O1)C(O)C(O)CO)NC(=N)N;CC(=O)N[CH]1[CH](NC(N)=N)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NC(=N)N","InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1","4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID; 4-guanidino-Neu5Ac2en; MODIFIED SIALIC ACID","1999-07-08","2020-07-17","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid",""],["EBC","N,N'-ethane-1,2-diylbis(2-iodoacetamide)","C6 H10 I2 N2 O2","O=C(NCCNC(=O)CI)CI;ICC(=O)NCCNC(=O)CI;C(CNC(=O)CI)NC(=O)CI","InChI=1S/C6H10I2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)","","2012-05-07","2024-09-27","N,N'-ethane-1,2-diylbis(2-iodoacetamide)",""],["ZMS","N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}","C62 H76 Cl2 F2 N14 O11 S2","CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)COCCOCCOCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)CC1;Cc1cnc(Nc2ccc(c(F)c2)C(=O)N[CH]3CCN(CC3)C(=O)COCCOCCOCC(=O)N4CC[CH](CC4)NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c7)n6)cc5F)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c8;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)COCCOCCOCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C","InChI=1S/C62H76Cl2F2N14O11S2/c1-37-33-67-59(75-55(37)69-43-11-15-47(63)51(31-43)77-92(85,86)61(3,4)5)73-41-9-13-45(49(65)29-41)57(83)71-39-17-21-79(22-18-39)53(81)35-90-27-25-89-26-28-91-36-54(82)80-23-19-40(20-24-80)72-58(84)46-14-10-42(30-50(46)66)74-60-68-34-38(2)56(76-60)70-44-12-16-48(64)52(32-44)78-93(87,88)62(6,7)8/h9-16,29-34,39-40,77-78H,17-28,35-36H2,1-8H3,(H,71,83)(H,72,84)(H2,67,69,73,75)(H2,68,70,74,76)","","2021-05-10","2022-05-13","N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}","2022-05-18"],["EBD","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile","C19 H19 N7","Cc1cnc(Nc2ccc(CC#N)cc2)nc1Nc3cc([nH]n3)C4CC4;Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N","InChI=1S/C19H19N7/c1-12-11-21-19(22-15-6-2-13(3-7-15)8-9-20)24-18(12)23-17-10-16(25-26-17)14-4-5-14/h2-3,6-7,10-11,14H,4-5,8H2,1H3,(H3,21,22,23,24,25,26)","","2010-02-01","2011-06-04","2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-pyrimidin-2-yl]amino]phenyl]ethanenitrile",""],["EBE","(2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide","C19 H16 F N3 O2","Cc1ncc(cn1)c2ccc(cc2)[CH](C(=O)NO)c3ccccc3F;Cc1ncc(cn1)c2ccc(cc2)C(c3ccccc3F)C(=O)NO","InChI=1S/C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20/h2-11,18,25H,1H3,(H,23,24)/t18-/m0/s1","","2018-03-13","2018-11-30","(2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide","2018-12-05"],["ZMT","~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide","C9 H11 N5 O S","CCCn1nnnc1NC(=O)c2sccc2;CCCn1c(nnn1)NC(=O)c2cccs2","InChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)","","2023-06-28","2024-01-26","~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide","2024-01-31"],["ZMV","N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}","C66 H84 Cl2 F2 N14 O12 S2","CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)CCOCCOCCOCCOCCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)CC1;Cc1cnc(Nc2ccc(c(F)c2)C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCC(=O)N4CCC(CC4)NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c7)n6)cc5F)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c8;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C","InChI=1S/C66H84Cl2F2N14O12S2/c1-41-39-71-63(79-59(41)73-47-11-15-51(67)55(37-47)81-97(89,90)65(3,4)5)77-45-9-13-49(53(69)35-45)61(87)75-43-17-23-83(24-18-43)57(85)21-27-93-29-31-95-33-34-96-32-30-94-28-22-58(86)84-25-19-44(20-26-84)76-62(88)50-14-10-46(36-54(50)70)78-64-72-40-42(2)60(80-64)74-48-12-16-52(68)56(38-48)82-98(91,92)66(6,7)8/h9-16,35-40,43-44,81-82H,17-34H2,1-8H3,(H,75,87)(H,76,88)(H2,71,73,77,79)(H2,72,74,78,80)","","2021-05-10","2022-05-13","N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}","2022-05-18"],["EBF","7-methoxychromen-2-one","C10 H8 O3","COc1ccc2C=CC(=O)Oc2c1;COc1ccc2c(c1)OC(=O)C=C2","InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3","","2019-12-06","2020-02-07","7-methoxychromen-2-one","2020-02-12"],["ZMW","N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide","C17 H19 N3 O3","O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1;O=C(NCc1ccccc1)N2CCN(CC2)C(=O)c3occc3;c1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3","InChI=1S/C17H19N3O3/c21-16(15-7-4-12-23-15)19-8-10-20(11-9-19)17(22)18-13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22)","","2023-03-16","2023-03-24","N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["EBG","2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside","C10 H18 O7","O(CCC1OC1)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](OCC[CH]2CO2)[CH](O)[CH](O)[CH]1O;C1C(O1)CCOC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1","2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL; 3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE;\n2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucoside; 2-[(2S)-oxiran-2-yl]ethyl D-glucoside; 2-[(2S)-oxiran-2-yl]ethyl glucoside","2002-11-28","2020-07-17","2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside",""],["EBH","(2S)-1-bromopropan-2-ol","C3 H7 Br O","BrCC(O)C;C[CH](O)CBr;CC(CBr)O","InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1","","2012-02-10","2024-09-27","(2S)-1-bromopropan-2-ol","2013-08-07"],["ZMX","(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide","C28 H24 N4 O3","CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1;CN1N(C(=O)C(=C1C)NC(=O)c2ccccc2c3oc(cn3)c4ccc(C)cc4)c5ccccc5;Cc1ccc(cc1)c2cnc(o2)c3ccccc3C(=O)NC4=C(N(N(C4=O)c5ccccc5)C)C","InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33)","","2023-06-29","2024-06-28","(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide","2024-07-03"],["EBI","1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli\nnamide","C23 H24 F N9 O","Fc1ncc(cc1)NC(=O)C6(N(c3nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5)CCC6)C;C[C]1(CCCN1c2nn3cccc3c(Nc4[nH]nc(c4)C5CC5)n2)C(=O)Nc6ccc(F)nc6;CC1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F","InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1","BMS-754807","2009-07-10","2020-06-17","1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide",""],["ZMY","(9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one","C26 H20 F6 N6 O2","FC(F)(F)c1ncc2c3cnc(NCc4c(F)ccc5OCCc45)n4cnc(c34)C(=O)N(CC(C)(F)F)Cc2c1;CC(F)(F)CN1Cc2cc(ncc2c3cnc(NCc4c(F)ccc5OCCc45)n6cnc(C1=O)c36)C(F)(F)F;CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F","InChI=1S/C26H20F6N6O2/c1-25(28,29)11-37-10-13-6-20(26(30,31)32)33-7-15(13)17-9-35-24(38-12-36-21(22(17)38)23(37)39)34-8-16-14-4-5-40-19(14)3-2-18(16)27/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,34,35)","","2021-05-11","2021-10-15","(9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one","2021-10-20"],["EBJ","1H-1,2,3-triazole-5-thiol","C2 H3 N3 S","Sc1nnnc1;Sc1[nH]nnc1;c1c([nH]nn1)S","InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","","2017-12-18","2024-09-27","1H-1,2,3-triazole-5-thiol","2018-01-03"],["ZN","ZINC ION","Zn","[Zn+2];[Zn++];[Zn+2]","InChI=1S/Zn/q+2","","1999-07-08","2011-06-04","zinc",""],["EBK","2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide","C22 H26 Cl2 N6 O2 S","CN1CCN(CC1)c2cc(ccn2)c3cc(Cl)c(c(Cl)c3)[S](=O)(=O)Nc4c(C)nn(C)c4C;Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl","InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3","","2018-03-13","2019-03-22","2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide","2019-03-27"],["ZN0","Triethyltin chloride","C6 H15 Cl Sn","CC[Sn](Cl)(CC)CC;CC[Sn](CC)(CC)Cl","InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1","","2016-12-16","2025-11-11","chloranyl(triethyl)stannane","2017-01-11"],["EBL","(2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one","C26 H29 Cl F2 N6 O3","C[CH]1C[CH](O)CN(C1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)C5=C(N[CH](C6CC6)C(F)(F)CO5)c4c3)n2;CC1CC(CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C5=C(C(=O)N4C)OCC(C(N5)C6CC6)(F)F)Cl)O","InChI=1S/C26H29ClF2N6O3/c1-13-7-16(36)11-35(10-13)25-30-9-18(27)23(33-25)31-15-5-6-19-17(8-15)20-21(24(37)34(19)2)38-12-26(28,29)22(32-20)14-3-4-14/h5-6,8-9,13-14,16,22,32,36H,3-4,7,10-12H2,1-2H3,(H,30,31,33)/t13-,16+,22-/m0/s1","","2022-01-05","2022-08-22","(2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one","2022-06-15"],["ZN1","4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide","C64 H82 Cl F2 N15 O11 S2","CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)CCOCCOCCOCCNC(=O)c1cc(Nc2nc(Nc3ccc(C(=O)NC4CCNCC4)c(F)c3)ncc2C)cc(NS(=O)(=O)C(C)(C)C)c1;Cc1cnc(Nc2ccc(c(F)c2)C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCNC(=O)c4cc(Nc5nc(Nc6ccc(c(F)c6)C(=O)NC7CCNCC7)ncc5C)cc(N[S](=O)(=O)C(C)(C)C)c4)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c8;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCNC(=O)c5cc(cc(c5)NS(=O)(=O)C(C)(C)C)Nc6c(cnc(n6)Nc7ccc(c(c7)F)C(=O)NC8CCNCC8)C","InChI=1S/C64H82ClF2N15O11S2/c1-39-37-70-61(78-56(39)72-46-11-14-51(65)54(36-46)81-95(89,90)64(6,7)8)76-44-10-13-50(53(67)35-44)60(86)75-43-17-23-82(24-18-43)55(83)19-25-91-27-29-93-30-28-92-26-22-69-58(84)41-31-47(33-48(32-41)80-94(87,88)63(3,4)5)73-57-40(2)38-71-62(79-57)77-45-9-12-49(52(66)34-45)59(85)74-42-15-20-68-21-16-42/h9-14,31-38,42-43,68,80-81H,15-30H2,1-8H3,(H,69,84)(H,74,85)(H,75,86)(H2,70,72,76,78)(H2,71,73,77,79)","","2021-05-11","2022-05-06","4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide","2022-05-11"],["EBM","2-iodo-N-(1-methylethyl)benzamide","C10 H12 I N O","CC(C)NC(=O)c1ccccc1I;CC(C)NC(=O)c1ccccc1I","InChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)","","2010-02-23","2011-06-04","2-iodo-N-propan-2-yl-benzamide",""],["ZN2","ZINC ION ON 3-FOLD CRYSTAL AXIS","Zn","[Zn+2];[Zn++];[Zn+2]","InChI=1/Zn/q+2","","1999-07-08","2008-10-14","zinc",""],["EBN","(S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide","C28 H46 Cl2 N8 O3","Clc1ccc(cc1Cl)CC(=O)NC(C(=O)NC(C(=O)NCC2CCC(NC(=[N@H])N)CC2)CCCCN)CCCCN;NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[CH]2CC[CH](CC2)NC(N)=N;c1cc(c(cc1CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC2CCC(CC2)NC(=N)N)Cl)Cl","InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1","3,4-dichlorophenylacetyl-Lys-Lys-GCMA","2012-10-26","2021-03-13","N~2~-[(3,4-dichlorophenyl)acetyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)methyl]-L-lysinamide","2013-03-27"],["ZN3","ZINC ION, 1 WATER COORDINATED","H2 O Zn","O|[Zn++];[OH2][Zn+2]","InChI=1/H2O.Zn/h1H2;/q;+2/rH2OZn/c1-2/h1H2/q+2","","1999-07-13","2008-10-14","",""],["EBO","(2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid","C16 H24 N3 O8 P S","Cc1ncc(C[P](O)(O)=O)c(C=N[CH](CCSCC[CH](N)C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)CP(=O)(O)O)C=NC(CCSCCC(C(=O)O)N)C(=O)O)O","InChI=1S/C16H24N3O8PS/c1-9-14(20)11(10(6-18-9)8-28(25,26)27)7-19-13(16(23)24)3-5-29-4-2-12(17)15(21)22/h6-7,12-13,20H,2-5,8,17H2,1H3,(H,21,22)(H,23,24)(H2,25,26,27)/b19-7+/t12-,13-/m0/s1","","2019-12-06","2020-12-04","(2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid","2020-12-09"],["ZN4","1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide","C13 H21 Cl N2 O2 S","Clc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC;CCN(CC)CCN[S](=O)(=O)Cc1ccc(Cl)cc1;CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl","InChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3","","2012-08-24","2014-09-05","1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide","2013-09-04"],["EBP","DIETHYL 4-METHYLBENZYLPHOSPHONATE","C12 H19 O3 P","O=P(OCC)(OCC)Cc1ccc(cc1)C;CCO[P](=O)(Cc1ccc(C)cc1)OCC;CCOP(=O)(Cc1ccc(cc1)C)OCC","InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3","","1999-07-08","2011-06-04","diethyl (4-methylbenzyl)phosphonate",""],["ZN5","Dimethyltin dibromide","C2 H6 Br2 Sn","C[Sn](C)(Br)Br;C[Sn](C)(Br)Br","InChI=1S/2CH3.2BrH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2","","2016-12-16","2017-01-06","bis(bromanyl)-dimethyl-stannane","2017-01-11"],["EBQ","(3S)-3-hydroxybutyl alpha-D-glucopyranoside","C10 H20 O7","C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(CCOC1C(C(C(C(O1)CO)O)O)O)O","InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol; reacted\n3R,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE; (3S)-3-hydroxybutyl alpha-D-glucoside; (3S)-3-hydroxybutyl D-glucoside;\n(3S)-3-hydroxybutyl glucoside","2010-06-04","2024-09-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol",""],["ZN6","Diethyltin dichloride","C4 H10 Cl2 Sn","CC[Sn](Cl)(Cl)CC;CC[Sn](CC)(Cl)Cl","InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2","","2016-12-16","2017-01-06","bis(chloranyl)-diethyl-stannane","2017-01-11"],["ZN7","DIETHYLLEAD DIBROMIDE","C4 H10 Br2 Pb","CC[Pb](Br)(Br)CC;CC[Pb](CC)(Br)Br","InChI=1S/2C2H5.2BrH.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2","","2016-12-16","2017-01-06","bis(bromanyl)-diethyl-plumbane","2017-01-11"],["EBR","[(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1H-pyridin-3-yl]methyl dihydrogen phosphate","C16 H19 N2 O6 P","CC1=C(O)C(=CN=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=CCc2ccc(cc2)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C16H19N2O6P/c1-11-16(20)15(13(8-18-11)10-24-25(21,22)23)9-17-7-6-12-2-4-14(19)5-3-12/h2-5,7-9,18-20H,6,10H2,1H3,(H2,21,22,23)/b15-9-,17-7-","","2019-12-06","2020-11-27","[(4~{Z})-4-[[(~{Z})-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1~{H}-pyridin-3-yl]methyl dihydrogen phosphate","2020-12-02"],["EBS","3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM","C18 H18 N4 O6 S4","O=S(=O)(O)c1ccc2N(C(/Sc2c1)=NN=C4/Sc3cc(ccc3N4CC)S(=O)(=O)O)CC;CCN1C(Sc2cc(ccc12)[S](O)(=O)=O)=NN=C3Sc4cc(ccc4N3CC)[S](O)(=O)=O;CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O","InChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/b19-17-,20-18+","","2003-04-03","2011-06-04","(2Z)-3-ethyl-2-[(2E)-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid",""],["ZN8","Trimethyltin chloride","C3 H9 Cl Sn","C[Sn](C)(C)Cl;C[Sn](C)(C)Cl","InChI=1S/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1","","2016-12-16","2025-11-11","chloranyl(trimethyl)stannane","2017-01-11"],["ZN9","Trimethyllead bromide","C3 H9 Br Pb","C[Pb](C)(C)Br;C[Pb](C)(C)Br","InChI=1S/3CH3.BrH.Pb/h3*1H3;1H;/q;;;;+1/p-1","","2016-12-16","2025-11-11","bromanyl(trimethyl)plumbane","2017-01-11"],["EBT","N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine","C16 H24 N2 O4","O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C;CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O","InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14-/m1/s1","Epibestatin","2010-03-30","2020-06-17","N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine",""],["ZNA","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C21 H28 N7 O13 P2 S","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2SC([n+]3cc(ccc3)C(N)=O)C(O)C2O)C(O)C1O;NC(=O)c1ccc[n+](c1)[CH]2S[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(S2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N","InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)20-15(31)13(29)10(40-20)5-38-42(34,35)41-43(36,37)39-6-11-14(30)16(32)21(44-11)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2018-08-15","2024-05-08","1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxythiolan-2-yl]-3-carbamoylpyridin-1-ium (non-preferred name)","2018-11-21"],["EBU","pepide inhibtor","C46 H56 N10 O6","N[CH](Cc1ccccc1)C(=O)N[CH]2Cc3cn(CCCC[C]4(CCCN4C(=O)[CH](CCCNC(N)=N)NC2=O)C(=O)N[CH](Cc5c[nH]c6ccccc56)C(O)=O)c7ccccc37;c1ccc(cc1)CC(C(=O)NC2Cc3cn(c4c3cccc4)CCCCC5(CCCN5C(=O)C(NC2=O)CCCNC(=N)N)C(=O)NC(Cc6c[nH]c7c6cccc7)C(=O)O)N","InChI=1S/C46H56N10O6/c47-34(24-29-12-2-1-3-13-29)40(57)53-37-26-31-28-55(39-18-7-5-15-33(31)39)22-9-8-19-46(20-11-23-56(46)42(59)36(52-41(37)58)17-10-21-50-45(48)49)44(62)54-38(43(60)61)25-30-27-51-35-16-6-4-14-32(30)35/h1-7,12-16,18,27-28,34,36-38,51H,8-11,17,19-26,47H2,(H,52,58)(H,53,57)(H,54,62)(H,60,61)(H4,48,49,50)/t34-,36-,37-,38-,46-/m0/s1","","2017-01-19","2017-03-28","","2017-04-02"],["ZNB","2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide","C22 H25 Br N14 O7 S","OC1C(O)C(CN=[N+]=[N-])OC1n1c2ncnc(N)c2nc1SCC(=O)NCC1OC(n2c(Br)nc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n([CH]3O[CH](CNC(=O)CSc4nc5c(N)ncnc5n4[CH]6O[CH](CN=[N+]=[N-])[CH](O)[CH]6O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)SCC(=O)NCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4Br)O)O)C6C(C(C(O6)CN=[N+]=[N-])O)O)N","InChI=1S/C22H25BrN14O7S/c23-21-33-9-15(24)28-4-30-17(9)36(21)19-13(41)11(39)6(43-19)1-27-8(38)3-45-22-34-10-16(25)29-5-31-18(10)37(22)20-14(42)12(40)7(44-20)2-32-35-26/h4-7,11-14,19-20,39-42H,1-3H2,(H,27,38)(H2,24,28,30)(H2,25,29,31)/t6-,7-,11-,12-,13-,14-,19-,20-/m1/s1","","2012-01-06","2024-05-08","2-({6-amino-9-[(2R,3R,4S,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-8-yl}sulfanyl)-N-{[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}acetamide (non-preferred name)",""],["EBV","(2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one","C26 H28 Cl N5 O","n5cc(CC(C(=O)N3CC4CN(Cc2c1c(ccc(Cl)c1)nc2)CC4C3)N)c6c5cccc6;N[CH](Cc1c[nH]c2ccccc12)C(=O)N3C[CH]4CN(C[CH]4C3)Cc5c[nH]c6ccc(Cl)cc56;c1ccc2c(c1)c(c[nH]2)CC(C(=O)N3CC4CN(CC4C3)Cc5c[nH]c6c5cc(cc6)Cl)N","InChI=1S/C26H28ClN5O/c27-20-5-6-25-22(8-20)17(10-30-25)11-31-12-18-14-32(15-19(18)13-31)26(33)23(28)7-16-9-29-24-4-2-1-3-21(16)24/h1-6,8-10,18-19,23,29-30H,7,11-15,28H2/t18-,19+,23-/m0/s1","","2017-12-19","2018-10-19","(2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one","2018-10-24"],["EBW","4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM","C27 H38 N2 O","O=C(CCc1ccc(cc1)[N+](CC=C)(C)C)CCc2ccc(cc2)[N+](C)(CC=C)C;C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1;C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C","InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2","","2000-06-21","2011-06-04","4,4'-(3-oxopentane-1,5-diyl)bis(N,N-dimethyl-N-prop-2-en-1-ylanilinium)",""],["ZNC","3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine","C21 H23 N3","C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1ccccc1;C(CN1CCC(=CC1)c2c[nH]c3ncccc23)Cc4ccccc4;c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4","InChI=1S/C21H23N3/c1-2-6-17(7-3-1)8-5-13-24-14-10-18(11-15-24)20-16-23-21-19(20)9-4-12-22-21/h1-4,6-7,9-10,12,16H,5,8,11,13-15H2,(H,22,23)","","2021-03-31","2021-12-10","3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine","2021-12-15"],["ZND","Zinc (II) Deuteroporphyrin IX","C30 H28 N4 O4 Zn","O=C(O)CCc1c(c2C=C5C(=CC=4C=C7C(=CC6=CC8=N3C(=Cc1n2[Zn]3(N=45)N67)C(=C8C)CCC(=O)O)C)C)C;CC1=CC2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C)C5=C2;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O","InChI=1S/C30H30N4O4.Zn/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;","","2014-07-30","2016-04-29","[3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]zinc","2016-05-04"],["EBX","4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide","C22 H26 N4 O5","CC[CH](NC1=C(Nc2ccnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(C)C;CCC(c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C","InChI=1S/C22H26N4O5/c1-6-13(15-9-12(10-31-15)11(2)3)24-16-17(21(29)20(16)28)25-14-7-8-23-18(19(14)27)22(30)26(4)5/h7-11,13,24,27H,6H2,1-5H3,(H,23,25)/t13-/m1/s1","","2019-12-10","2020-08-28","4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide","2020-09-02"],["ZNE","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol","C28 H41 N O3 S","C[CH](CCC[CH](O)c1sccn1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC(CCCC(c1nccs1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C","InChI=1S/C28H41NO3S/c1-18(6-4-8-25(31)27-29-14-15-33-27)23-11-12-24-20(7-5-13-28(23,24)3)9-10-21-16-22(30)17-26(32)19(21)2/h9-10,14-15,18,22-26,30-32H,2,4-8,11-13,16-17H2,1,3H3/b20-9+,21-10-/t18-,22-,23-,24+,25?,26+,28-/m1/s1","","2010-01-16","2011-10-07","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-(1,3-thiazol-2-yl)hexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol",""],["EBY","N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide","C26 H30 Cl N5 O","NC(Cc2cnc1ccc(C)cc12)C(=O)NC5CCN(Cc4cnc3ccc(cc34)Cl)CC5;Cc1ccc2[nH]cc(C[CH](N)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45)c2c1;Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N","InChI=1S/C26H30ClN5O/c1-16-2-4-24-21(10-16)17(13-29-24)11-23(28)26(33)31-20-6-8-32(9-7-20)15-18-14-30-25-5-3-19(27)12-22(18)25/h2-5,10,12-14,20,23,29-30H,6-9,11,15,28H2,1H3,(H,31,33)/t23-/m0/s1","","2017-12-19","2018-10-19","N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide","2018-10-24"],["EBZ","(3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one","C19 H27 N O3","CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O;COc1cc2CCN3C[CH](CC(C)C)C(=O)C[CH]3c2cc1OC;CC(C)CC1CN2CCc3cc(c(cc3C2CC1=O)OC)OC","InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1","","2023-07-18","2023-10-20","(3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one","2023-10-25"],["ZNF","(3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide","C20 H28 Cl F N4 O2","CC1CN(CC(C)N1C)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1;C[CH]1CN(C[CH](C)N1C)C(=O)N2CCC[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3;CC1CN(CC(N1C)C)C(=O)N2CCCC(C2)C(=O)Nc3ccc(c(c3)F)Cl","InChI=1S/C20H28ClFN4O2/c1-13-10-26(11-14(2)24(13)3)20(28)25-8-4-5-15(12-25)19(27)23-16-6-7-17(21)18(22)9-16/h6-7,9,13-15H,4-5,8,10-12H2,1-3H3,(H,23,27)/t13-,14+,15-/m0/s1","","2023-03-17","2023-06-02","(3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide","2023-06-07"],["EC0","7-chloranyl-5-nitro-quinolin-8-ol","C9 H5 Cl N2 O3","Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O;c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-]","InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H","","2019-12-10","2020-12-04","7-chloranyl-5-nitro-quinolin-8-ol","2020-12-09"],["ZNG","(9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one","C24 H15 F4 N5 O2","FC(F)(F)c1ccc2c3cnc(NCc4c(F)ccc5occc45)n4cnc(c34)C(=O)NCc2c1;Fc1ccc2occc2c1CNc3ncc4c5ccc(cc5CNC(=O)c6ncn3c46)C(F)(F)F;c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F","InChI=1S/C24H15F4N5O2/c25-18-3-4-19-15(5-6-35-19)16(18)9-30-23-31-10-17-14-2-1-13(24(26,27)28)7-12(14)8-29-22(34)20-21(17)33(23)11-32-20/h1-7,10-11H,8-9H2,(H,29,34)(H,30,31)","","2021-05-11","2021-10-15","(9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one","2021-10-20"],["ZNH","PROTOPORPHYRIN IX CONTAINING ZN","C34 H32 N4 O4 Zn","CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C","InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2001-03-01","2024-09-27","",""],["EC2","(2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID","C28 H23 N O3 S","O=C3C=C(C(=C2SC(c1ccccc1)C(N23)C(=O)O)C4CC4)Cc6c5ccccc5ccc6;OC(=O)[CH]1[CH](SC2=C(C3CC3)C(=CC(=O)N12)Cc4cccc5ccccc45)c6ccccc6;c1ccc(cc1)C2C(N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O","InChI=1S/C28H23NO3S/c30-23-16-21(15-20-11-6-10-17-7-4-5-12-22(17)20)24(18-13-14-18)27-29(23)25(28(31)32)26(33-27)19-8-2-1-3-9-19/h1-12,16,18,25-26H,13-15H2,(H,31,32)/t25-,26+/m0/s1","","2010-05-30","2011-06-04","(2R,3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid",""],["ZNI","(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide","C47 H60 N8 O6 S","CC(OC)c1ncc(cc1c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1C2COCC21)N1CCN(CC1)C1CC1;CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5scc3n5)NC(=O)[CH]6[CH]7COC[CH]67)c1c8cc(cnc8[CH](C)OC)N9CCN(CC9)C%10CC%10;CCn1c2ccc-3cc2c(c1c4cc(cnc4C(C)OC)N5CCN(CC5)C6CC6)CC(COC(=O)C7CCCN(N7)C(=O)C(Cc8nc3cs8)NC(=O)C9C1C9COC1)(C)C","InChI=1S/C47H60N8O6S/c1-6-54-39-12-9-28-18-31(39)33(43(54)32-19-30(22-48-42(32)27(2)59-5)53-16-14-52(15-17-53)29-10-11-29)21-47(3,4)26-61-46(58)36-8-7-13-55(51-36)45(57)37(20-40-49-38(28)25-62-40)50-44(56)41-34-23-60-24-35(34)41/h9,12,18-19,22,25,27,29,34-37,41,51H,6-8,10-11,13-17,20-21,23-24,26H2,1-5H3,(H,50,56)/t27-,34-,35+,36-,37-,41+/m0/s1","RMC-7977","2023-06-29","2024-02-02","(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (non-preferred name)","2024-02-07"],["EC3","1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one","C14 H13 Cl N2 O2","Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13;c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl","InChI=1S/C14H13ClN2O2/c15-11-7-9(8-17-6-2-4-12(17)18)14(19)13-10(11)3-1-5-16-13/h1,3,5,7,19H,2,4,6,8H2","","2019-12-10","2020-12-04","1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one","2020-12-09"],["ZNJ","N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid","C33 H41 F N8 O8 S","O=C(NC1CCNCC1)c1ccc(Nc2nc(Nc3cc(cc(NS(=O)(=O)C(C)(C)C)c3)C(=O)NC(CCC(=O)O)C(=O)O)c(C)cn2)cc1F;Cc1cnc(Nc2ccc(c(F)c2)C(=O)NC3CCNCC3)nc1Nc4cc(N[S](=O)(=O)C(C)(C)C)cc(c4)C(=O)N[CH](CCC(O)=O)C(O)=O;Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)(=O)C(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O)Nc3ccc(c(c3)F)C(=O)NC4CCNCC4","InChI=1S/C33H41FN8O8S/c1-18-17-36-32(39-21-5-6-24(25(34)16-21)30(46)38-20-9-11-35-12-10-20)41-28(18)37-22-13-19(14-23(15-22)42-51(49,50)33(2,3)4)29(45)40-26(31(47)48)7-8-27(43)44/h5-6,13-17,20,26,35,42H,7-12H2,1-4H3,(H,38,46)(H,40,45)(H,43,44)(H,47,48)(H2,36,37,39,41)/t26-/m0/s1","","2021-05-11","2022-05-06","N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid","2022-05-11"],["EC4","6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide","C25 H27 Cl2 N5 O","n4cc(CC(C(NC3CCN(Cc2c1c(ccc(Cl)c1)nc2)CC3)=O)N)c5c4cc(Cl)cc5;N[CH](Cc1c[nH]c2cc(Cl)ccc12)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45;c1cc2c(cc1Cl)[nH]cc2CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N","InChI=1S/C25H27Cl2N5O/c26-17-2-4-23-21(10-17)16(13-29-23)14-32-7-5-19(6-8-32)31-25(33)22(28)9-15-12-30-24-11-18(27)1-3-20(15)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1","","2017-12-20","2018-10-19","6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide","2018-10-24"],["ZNL","N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide","C25 H27 N5 O3 S","O=C(Nc1nc2cccc(C)c2n1C1CCCCN(C1)C(=O)C=C)c1cc(NC(=O)C=C)sc1;Cc1cccc2nc(NC(=O)c3csc(NC(=O)C=C)c3)n([CH]4CCCCN(C4)C(=O)C=C)c12;Cc1cccc2c1n(c(n2)NC(=O)c3cc(sc3)NC(=O)C=C)C4CCCCN(C4)C(=O)C=C","InChI=1S/C25H27N5O3S/c1-4-20(31)27-21-13-17(15-34-21)24(33)28-25-26-19-11-8-9-16(3)23(19)30(25)18-10-6-7-12-29(14-18)22(32)5-2/h4-5,8-9,11,13,15,18H,1-2,6-7,10,12,14H2,3H3,(H,27,31)(H,26,28,33)/t18-/m0/s1","","2022-09-28","2024-09-27","N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide","2023-10-18"],["EC5","(2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSULFANYL)-4-(NAPHTHALEN-1-YLMETHYL)-2-OXOPYRIDIN-1(2H)-YL]-3-PHENYLPROPANOIC ACID","C28 H25 N O4 S","O=C(O)C(N1C(SO)=C(C(=CC1=O)Cc3c2ccccc2ccc3)C4CC4)Cc5ccccc5;OSC1=C(C2CC2)C(=CC(=O)N1[CH](Cc3ccccc3)C(O)=O)Cc4cccc5ccccc45;c1ccc(cc1)CC(C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5","InChI=1S/C28H25NO4S/c30-25-17-22(16-21-11-6-10-19-9-4-5-12-23(19)21)26(20-13-14-20)27(34-33)29(25)24(28(31)32)15-18-7-2-1-3-8-18/h1-12,17,20,24,33H,13-16H2,(H,31,32)/t24-/m0/s1","","2010-05-30","2011-06-04","(2R)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2H)-yl]-3-phenylpropanoic acid",""],["EC6","N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","C28 H54 N4 O5","O=C(NC(C(O)C(CC)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C;CCCCCC(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C)C(=O)N[CH](CC(C)C)[CH](O)[CH](C)CC;CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N(C)C)C(=O)NC(CC(C)C)C(C(C)CC)O","InChI=1S/C28H54N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h18-22,25-26,35H,10-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21+,22+,25+,26+/m1/s1","Double bound form of enone carmaphycin analogue 6; (S)-N1-((S,Z)-2,6-dimethyl-5-oxooct-6-en-4-yl)-2-((S)-2-hexanamido-3-methylbutanamido)-N5,N5-dimethylpentanediamide","2013-09-06","2024-09-27","N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","2014-07-02"],["ZNM","3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol","C27 H31 F5 N4 O","FCCCN1CC(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2CC(C)N1CC(F)(F)CO;C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(F)(F)CO)c4c(F)cc(NC5CN(CCCF)C5)cc4F;CC1Cc2c3ccccc3[nH]c2C(N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F","InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1","","2021-05-11","2021-05-28","3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol","2021-06-02"],["EC7","(S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide","C18 H35 N3 O","C(N(C(=O)C(NC)C)CC(C1CCN(C)CC1)(C)C)C2CC2;CNC(C)C(=O)N(CC1CC1)CC(C)(C)C2CCN(C)CC2;CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC","InChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3","","2017-12-21","2018-01-19","N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide","2018-01-24"],["ZNN","N-(4-aminobutyl)-2-azidoacetamide","C6 H13 N5 O","[N-]=[N+]=NCC(=O)NCCCCN;NCCCCNC(=O)CN=[N+]=[N-];C(CCNC(=O)CN=[N+]=[N-])CN","InChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12)","","2013-10-09","2015-03-06","N-(4-aminobutyl)-2-azidoacetamide","2015-03-11"],["ZNO","ZINC ION, 2 WATERS COORDINATED","H4 O2 Zn","O|[Zn++]|O;[OH2][Zn+2][OH2]","InChI=1/2H2O.Zn/h2*1H2;/q;;+2/rH4O2Zn/c1-3-2/h1-2H2/q+2","","1999-07-08","2008-10-14","",""],["EC8","N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide","C16 H9 F4 N3 O4","Oc1ccccc1C(=O)NN2C(=O)C(=O)Nc3cc(c(F)cc23)C(F)(F)F;c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O","InChI=1S/C16H9F4N3O4/c17-9-6-11-10(5-8(9)16(18,19)20)21-14(26)15(27)23(11)22-13(25)7-3-1-2-4-12(7)24/h1-6,24H,(H,21,26)(H,22,25)","","2018-03-14","2019-01-18","~{N}-[7-fluoranyl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]-2-oxidanyl-benzamide","2019-01-23"],["ZNP","(2R)-2-benzyl-3-nitropropanamide","C10 H12 N2 O3","[O-][N+](=O)CC(C(=O)N)Cc1ccccc1;NC(=O)[CH](Cc1ccccc1)C[N+]([O-])=O;c1ccc(cc1)CC(C[N+](=O)[O-])C(=O)N","InChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1","","2009-01-06","2011-06-04","(2R)-2-benzyl-3-nitropropanamide",""],["EC9","N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide","C16 H14 N4 O2","CC(=O)Nc1cc(Nc2ccccn2)c3cccc(O)c3n1;CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3","InChI=1S/C16H14N4O2/c1-10(21)18-15-9-12(19-14-7-2-3-8-17-14)11-5-4-6-13(22)16(11)20-15/h2-9,22H,1H3,(H2,17,18,19,20,21)","","2019-12-10","2020-12-04","~{N}-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide","2020-12-09"],["ECA","N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-DIHYDROXYBENZAMIDE)","C30 H27 N3 O9","O=C(c1cccc(O)c1O)NCc2cc(cc(c2)CNC(=O)c3cccc(O)c3O)CNC(=O)c4cccc(O)c4O;Oc1cccc(C(=O)NCc2cc(CNC(=O)c3cccc(O)c3O)cc(CNC(=O)c4cccc(O)c4O)c2)c1O;c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O","InChI=1S/C30H27N3O9/c34-22-7-1-4-19(25(22)37)28(40)31-13-16-10-17(14-32-29(41)20-5-2-8-23(35)26(20)38)12-18(11-16)15-33-30(42)21-6-3-9-24(36)27(21)39/h1-12,34-39H,13-15H2,(H,31,40)(H,32,41)(H,33,42)","","2006-03-16","2011-06-04","N,N',N''-(benzene-1,3,5-triyltrimethanediyl)tris(2,3-dihydroxybenzamide)",""],["ZNQ","(1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]","C6 H16 O18 P4","OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1","scyllo-L-(1,2,3,4)-IP4","2023-06-29","2023-11-10","(1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]","2023-11-15"],["ZNS","4-oxo-4-(phosphonooxy)butanoic acid","C4 H7 O7 P","O=P(O)(O)OC(=O)CCC(=O)O;OC(=O)CCC(=O)O[P](O)(O)=O;C(CC(=O)OP(=O)(O)O)C(=O)O","InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)","","2021-05-12","2022-10-07","4-oxo-4-(phosphonooxy)butanoic acid","2022-10-12"],["ECB","1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","C23 H38 O4","CCCCCC=C/CC=C/C[C@H]=[C@H]C[C@H]=[C@H]CCCC(=O)OC(CO)CO;CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO;CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO","InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-","2-arachidonoylglycerol","2017-12-07","2021-03-01","1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","2018-12-12"],["ZNT","2'3'-cUA","C19 H23 N7 O14 P2","Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)N1C=CC(=O)NC1=O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3O)O[CH]5N6C=CC(=O)NC6=O;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5N6C=CC(=O)NC6=O)O)O)O)N","InChI=1S/C19H23N7O14P2/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(29)13-8(38-17)4-36-42(33,34)40-14-11(28)7(3-35-41(31,32)39-13)37-18(14)25-2-1-9(27)24-19(25)30/h1-2,5-8,11-14,17-18,28-29H,3-4H2,(H,31,32)(H,33,34)(H2,20,21,22)(H,24,27,30)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1","1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione","2023-03-17","2024-09-27","1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione","2023-07-05"],["ECC","(4S)-4-amino-5-hydroxypentanamide","C5 H12 N2 O2","O=C(N)CCC(N)CO;N[CH](CO)CCC(N)=O;C(CC(=O)N)C(CO)N","InChI=1S/C5H12N2O2/c6-4(3-8)1-2-5(7)9/h4,8H,1-3,6H2,(H2,7,9)/t4-/m0/s1","","2011-07-21","2024-09-27","(4S)-4-amino-5-hydroxypentanamide",""],["ZNU","(1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]","C6 H17 O21 P5","OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m0/s1","myo-(1OH)IP5","2023-06-29","2023-11-10","(1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]","2023-11-15"],["ECD","(4R)-4-(2-carboxyethyl)imidazolidin-2-iminium","C6 H12 N3 O2","O=C(O)CCC1NC(/NC1)=[NH2+];OC(=O)CC[CH]1CNC(=[NH2+])N1;C1C(NC(=[NH2+])N1)CCC(=O)O","InChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/p+1/t4-/m1/s1","","2013-03-19","2024-09-27","(4R)-4-(2-carboxyethyl)imidazolidin-2-iminium","2013-07-03"],["A1CKA","(3S)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C16 H13 F N4 O3","Fc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(F)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)F","InChI=1S/C16H13FN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2025-09-17"],["ZNV","1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene","C9 H9 F O","Fc1ccccc1OCC=C;Fc1ccccc1OCC=C;C=CCOc1ccccc1F","InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2","","2021-05-12","2021-05-14","1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene","2021-05-19"],["ECE","Caprolactone","C6 H10 O2","O=C1OCCCCC1;O=C1CCCCCO1;C1CCC(=O)OCC1","InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2","Oxepan-2-one; Epsilon-Caprolactone","2014-10-06","2020-06-17","oxepan-2-one","2014-10-15"],["A1CKB","(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid","C15 H13 N5 O3","O=C(O)CC(NC(=O)c1ncnc2[NH]cnc12)c1ccccc1;OC(=O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccccc3;c1ccc(cc1)C(CC(=O)O)NC(=O)c2c3c([nH]cn3)ncn2","InChI=1S/C15H13N5O3/c21-11(22)6-10(9-4-2-1-3-5-9)20-15(23)13-12-14(18-7-16-12)19-8-17-13/h1-5,7-8,10H,6H2,(H,20,23)(H,21,22)(H,16,17,18,19)/t10-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid","2025-09-17"],["ZNX","N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","C18 H21 N3 O4","Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(OC)cc1;COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3oc(C)cc3)cc1;Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3)OC","InChI=1S/C18H21N3O4/c1-13-3-8-16(25-13)17(22)20-9-11-21(12-10-20)18(23)19-14-4-6-15(24-2)7-5-14/h3-8H,9-12H2,1-2H3,(H,19,23)","","2023-03-17","2023-03-24","N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["ECF","2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol","C12 H9 F N4 O","Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1;c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N","InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16)","","2019-12-10","2020-12-04","2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol","2020-12-09"],["A1CKE","(3S)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid","C17 H16 N4 O3","O=C(O)CC(NC(=O)c1ncnc2[NH]cc(C)c12)c1ccccc1;Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O)c3ccccc3)c12;Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(=O)O)c3ccccc3","InChI=1S/C17H16N4O3/c1-10-8-18-16-14(10)15(19-9-20-16)17(24)21-12(7-13(22)23)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid","2025-09-17"],["ECG","3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER","C10 H17 N O3","O=C(OC)C2C1N(C)C(CC1)CC2O;COC(=O)[CH]1[CH](O)C[CH]2CC[CH]1N2C;CN1C2CCC1C(C(C2)O)C(=O)OC","InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1","ECGONINE METHYL ESTER","2005-08-11","2020-06-17","methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate",""],["ZNY","(4R)-4-ethoxy-L-proline","C7 H13 N O3","CCOC1CC(NC1)C(=O)O;CCO[CH]1CN[CH](C1)C(O)=O;CCOC1CC(NC1)C(=O)O","InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1","","2021-05-12","2024-09-27","(4R)-4-ethoxy-L-proline","2022-03-02"],["ECH","beta,beta-caroten-4-one","C40 H54 O","O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)CC2)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C","InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+","echinenone","2010-04-07","2020-06-17","beta,beta-caroten-4-one",""],["A1CKF","(3S)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid","C17 H16 N4 O3","O=C(O)CC(NC(=O)c1nc(C)nc2[NH]ccc12)c1ccccc1;Cc1nc2[nH]ccc2c(n1)C(=O)N[CH](CC(O)=O)c3ccccc3;Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccccc3","InChI=1S/C17H16N4O3/c1-10-19-15(12-7-8-18-16(12)20-10)17(24)21-13(9-14(22)23)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t13-/m0/s1","","2025-07-24","2025-09-12","(3S)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid","2025-09-17"],["ZNZ","(1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]","C6 H17 O21 P5","OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m1/s1","myo-(3OH)IP5","2023-06-29","2023-11-10","(1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]","2023-11-15"],["ECI","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid","C20 H26 N10 O12 P2 S2","NC1=Nc2c(ncn2C2OC(CO)C(OP(=O)(S)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)S)C2O)C(=O)N1;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(S)=O)n5cnc6c(N)ncnc56)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OC4C(OC(C4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N","InChI=1S/C20H26N10O12P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)13(41-43(35,36)45)7(40-18)2-38-44(37,46)42-12-6(1-31)39-19(10(12)32)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,37,46)(H2,21,23,24)(H2,35,36,45)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-,44+/m1/s1","","2021-12-06","2022-04-15","O-[(2R,3S,4R,5R)-2-({[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name)","2022-04-20"],["ZO0","4-(4-METHYL-1,4-DIAZEPAN-1-YL)-2-(TRIFLUOROMETHYL)QUINAZOLINE","C15 H17 F3 N4","FC(F)(F)c1nc3c(c(n1)N2CCCN(C)CC2)cccc3;CN1CCCN(CC1)c2nc(nc3ccccc23)C(F)(F)F;CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F","InChI=1S/C15H17F3N4/c1-21-7-4-8-22(10-9-21)13-11-5-2-3-6-12(11)19-14(20-13)15(16,17)18/h2-3,5-6H,4,7-10H2,1H3","","2009-11-23","2014-09-05","4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline",""],["A1CKQ","N-[(1R,4r)-4-(5-{(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide","C26 H28 N8 O S","CC(C)Nc1cc(ncc1c1nnc(s1)C1CCC(NC(C)=O)CC1)c1ccc2cc(C#N)cnn21;CC(C)Nc1cc(ncc1c2sc(nn2)[CH]3CC[CH](CC3)NC(C)=O)c4ccc5cc(cnn45)C#N;CC(C)Nc1cc(ncc1c2nnc(s2)C3CCC(CC3)NC(=O)C)c4ccc5n4ncc(c5)C#N","InChI=1S/C26H28N8OS/c1-15(2)30-22-11-23(24-9-8-20-10-17(12-27)13-29-34(20)24)28-14-21(22)26-33-32-25(36-26)18-4-6-19(7-5-18)31-16(3)35/h8-11,13-15,18-19H,4-7H2,1-3H3,(H,28,30)(H,31,35)/t18-,19-","","2025-07-28","2026-01-23","N-[(1R,4r)-4-(5-{(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide","2026-01-28"],["ECJ","(5R)-5-(6-amino-9H-purin-9-yl)-2-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate","C10 H13 N5 O16 P4","C(C1=C(OP(O)(=O)OP(O)(O)=O)C(C(O1)n3cnc2c3ncnc2N)=O)OP(OP(O)(=O)O)(=O)O;Nc1ncnc2n(cnc12)[CH]3OC(=C(O[P](O)(=O)O[P](O)(O)=O)C3=O)CO[P](O)(=O)O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N","InChI=1S/C10H13N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(29-35(25,26)31-33(20,21)22)4(28-10)1-27-34(23,24)30-32(17,18)19/h2-3,10H,1H2,(H,23,24)(H,25,26)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t10-/m1/s1","","2017-12-27","2018-01-12","(5R)-5-(6-amino-9H-purin-9-yl)-2-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate","2018-01-17"],["A1CKR","5-(cyclopentyloxy)benzene-1,3-diol","C11 H14 O3","Oc1cc(cc(O)c1)OC1CCCC1;Oc1cc(O)cc(OC2CCCC2)c1;c1c(cc(cc1O)OC2CCCC2)O","InChI=1S/C11H14O3/c12-8-5-9(13)7-11(6-8)14-10-3-1-2-4-10/h5-7,10,12-13H,1-4H2","","2025-07-28","2026-05-01","5-(cyclopentyloxy)benzene-1,3-diol","2026-05-06"],["ZO1","3-(trifluoromethyl)benzaldehyde","C8 H5 F3 O2","FC(F)(F)c1cccc(C=O)c1;OC(=O)c1cccc(c1)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C(=O)O","InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)","","2021-05-12","2024-09-27","3-(trifluoromethyl)benzaldehyde","2022-03-02"],["ZO3","ZINC ION, 3 WATERS COORDINATED","H6 O3 Zn","O|[Zn++](|O)|O;[OH2][Zn+2]([OH2])[OH2]","InChI=1/3H2O.Zn/h3*1H2;/q;;;+2/rH6O3Zn/c1-4(2)3/h1-3H2/q+2","","2000-05-02","2008-10-14","",""],["A1CKU","(2E)-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal","C10 H13 N O S","C/C(=CC=O)c1ccc(s1)N(C)C;CN(C)c1sc(cc1)C(C)=CC=O;CC(=CC=O)c1ccc(s1)N(C)C","InChI=1S/C10H13NOS/c1-8(6-7-12)9-4-5-10(13-9)11(2)3/h4-7H,1-3H3/b8-6+","","2025-07-28","2025-09-26","(2E)-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal","2025-10-01"],["ECK","(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol","C32 H56 O2","CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1","","2022-01-05","2022-12-09","(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol","2022-12-14"],["ECL","1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","C18 H15 Cl3 N2 O","Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3;Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1;c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl","InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1","R-Econazole","2010-02-16","2021-03-01","1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole",""],["A1CKV","(2E)-3-{5-[4-(azetidin-1-yl)phenyl]thiophen-2-yl}but-2-enal","C17 H17 N O S","C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N1CCC1;CC(=CC=O)c1sc(cc1)c2ccc(cc2)N3CCC3;CC(=CC=O)c1ccc(s1)c2ccc(cc2)N3CCC3","InChI=1S/C17H17NOS/c1-13(9-12-19)16-7-8-17(20-16)14-3-5-15(6-4-14)18-10-2-11-18/h3-9,12H,2,10-11H2,1H3/b13-9+","","2025-07-28","2025-09-26","(2E)-3-{5-[4-(azetidin-1-yl)phenyl]thiophen-2-yl}but-2-enal","2025-10-01"],["ZO4","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine","C24 H30 Cl N3 O5","C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)O)O)O)Cl","InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22-/m1/s1","","2021-05-14","2021-06-04","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine","2021-06-09"],["ZO5","N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide","C18 H19 N3 O5","O=C(N1CCN(CC1)C(=O)NCc1ccc2OCOc2c1)c1ccco1;O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4","InChI=1S/C18H19N3O5/c22-17(15-2-1-9-24-15)20-5-7-21(8-6-20)18(23)19-11-13-3-4-14-16(10-13)26-12-25-14/h1-4,9-10H,5-8,11-12H2,(H,19,23)","","2023-03-17","2023-03-24","N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide","2023-03-29"],["A1CKY","(2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal","C16 H14 F3 N O S","FC(F)(F)C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C;CN(C)c1ccc(cc1)c2sc(cc2)C(=CC=O)C(F)(F)F;CN(C)c1ccc(cc1)c2ccc(s2)C(=CC=O)C(F)(F)F","InChI=1S/C16H14F3NOS/c1-20(2)12-5-3-11(4-6-12)14-7-8-15(22-14)13(9-10-21)16(17,18)19/h3-10H,1-2H3/b13-9+","","2025-07-28","2025-09-26","(2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal","2025-10-01"],["ECM","7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid","C39 H39 Cl2 N5 O4","C(CCc1c5c(n4c1C(N(c2cccc3c2n(C)cc3C(O)=O)CCC4)=O)c(c(cc5)Cl)c6c(n(C)nc6C)C)Oc7cc(c(c(C)c7)Cl)C;Cn1cc(C(O)=O)c2cccc(N3CCCn4c(C3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c(c46)c7c(C)nn(C)c7C)c12;Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl","InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49)","","2018-01-02","2018-01-26","7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid","2018-01-31"],["ECN","1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE","C18 H15 Cl3 N2 O","Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3;Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1;c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl","InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1","S-Econazole","2007-03-12","2020-06-17","1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole",""],["Z","1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE","C9 H13 N2 O7 P","O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC=NC2=O;C1C(C(OC1N2C=CC=NC2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1","2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE","2002-09-09","2024-09-27","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one",""],["A1CKZ","(2E)-3-[5'-(dimethylamino)[2,2'-bithiophen]-5-yl]but-2-enal","C14 H15 N O S2","CN(C)c1ccc(s1)c1sc(cc1)C(C)=CC=O;CN(C)c1sc(cc1)c2sc(cc2)C(C)=CC=O;CC(=CC=O)c1ccc(s1)c2ccc(s2)N(C)C","InChI=1S/C14H15NOS2/c1-10(8-9-16)11-4-5-12(17-11)13-6-7-14(18-13)15(2)3/h4-9H,1-3H3/b10-8+","","2025-07-28","2025-09-26","(2E)-3-[5'-(dimethylamino)[2,2'-bithiophen]-5-yl]but-2-enal","2025-10-01"],["A1CL8","(2P)-2-(2-carbamamido-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid","C14 H13 N3 O3 S","O=C(O)C=1CCCC=1c1ccc2nc(NC(N)=O)sc2c1;NC(=O)Nc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O;c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)NC(=O)N","InChI=1S/C14H13N3O3S/c15-13(20)17-14-16-10-5-4-7(6-11(10)21-14)8-2-1-3-9(8)12(18)19/h4-6H,1-3H2,(H,18,19)(H3,15,16,17,20)","","2025-08-05","2025-08-08","(2P)-2-(2-carbamamido-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid","2025-08-13"],["ZO6","thieno[3,2-c][2,6]naphthyridine","C10 H6 N2 S","n2cc1ccncc1c3sccc23;s1ccc2ncc3ccncc3c12;c1cncc2c1cnc3c2scc3","InChI=1S/C10H6N2S/c1-3-11-6-8-7(1)5-12-9-2-4-13-10(8)9/h1-6H","","2013-04-09","2014-09-05","thieno[3,2-c][2,6]naphthyridine","2013-05-22"],["ECO","ESTRADIOL-6 CARBOXYL-METHYL-OXIME","C20 H25 N O5","O=C(O)CON=C4c1cc(O)ccc1C3CCC2(C(CCC2O)C3C4)C;C[C]12CC[CH]3[CH](CC(=NOCC(O)=O)c4cc(O)ccc34)[CH]1CC[CH]2O;CC12CCC3c4ccc(cc4C(=NOCC(=O)O)CC3C1CCC2O)O","InChI=1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)/b21-17+/t13-,14-,16+,18+,20+/m1/s1","","2001-10-18","2011-06-04","({[(6E,9beta,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino}oxy)acetic acid",""],["A1CL9","(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid","C15 H15 N O2","O=C(O)C1CCCC1c1ccc2ncccc2c1;OC(=O)[CH]1CCC[CH]1c2ccc3ncccc3c2;c1cc2cc(ccc2nc1)C3CCCC3C(=O)O","InChI=1S/C15H15NO2/c17-15(18)13-5-1-4-12(13)10-6-7-14-11(9-10)3-2-8-16-14/h2-3,6-9,12-13H,1,4-5H2,(H,17,18)/t12-,13+/m0/s1","","2025-08-05","2025-08-08","(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid","2025-08-13"],["ZO7","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine","C24 H30 Cl N3 O5","C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)O)O)O)Cl","InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21+,22-/m1/s1","","2021-05-14","2021-06-04","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine","2021-06-09"],["ECP","(2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate","C20 H36 O7 P2","O=P(O)(O)OP(=O)(O)OC/C=C(C)CCC1C(=C)CCC2C(CCCC12C)(C)C;CC(CC[CH]1C(=C)CC[CH]2C(C)(C)CCC[C]12C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C","InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1","","2013-06-06","2015-01-30","(2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate","2015-02-04"],["ECQ","(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE","C8 H16 N2 O2","O=C1NCCC1CC(N)C(O)C;C[CH](O)[CH](N)C[CH]1CCNC1=O;CC(C(CC1CCNC1=O)N)O","InChI=1S/C8H16N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h5-7,11H,2-4,9H2,1H3,(H,10,12)/t5-,6+,7+/m1/s1","","2007-06-07","2024-09-27","(3S)-3-[(2S,3R)-2-amino-3-hydroxybutyl]pyrrolidin-2-one",""],["ZO8","thieno[2,3-c][2,7]naphthyridine","C10 H6 N2 S","n2cc1cnccc1c3c2scc3;s1ccc2c1ncc3cnccc23;c1cncc2c1c3ccsc3nc2","InChI=1S/C10H6N2S/c1-3-11-5-7-6-12-10-9(8(1)7)2-4-13-10/h1-6H","","2013-04-09","2014-09-05","thieno[2,3-c][2,7]naphthyridine","2013-05-22"],["ZO9","4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine","C13 H13 N5 O","n1onc(N)c1c2nc4c(n2CC3CC3)cccc4;Nc1nonc1c2nc3ccccc3n2CC4CC4;c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N","InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)","","2013-08-22","2014-09-05","4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine","2013-10-09"],["ECR","2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol","C12 H9 F N4 O","Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1;c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F","InChI=1S/C12H9FN4O/c13-7-1-2-9(18)12-11(7)8(5-10(14)16-12)17-4-3-15-6-17/h1-6,18H,(H2,14,16)","","2019-12-10","2020-12-04","2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol","2020-12-09"],["ECS","2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE","C18 H24 O3","Oc1cc4c(cc1O)C3CCC2(C(CCC2O)C3CC4)C;C[C]12CC[CH]3[CH](CCc4cc(O)c(O)cc34)[CH]1CC[CH]2O;CC12CCC3c4cc(c(cc4CCC3C1CCC2O)O)O","InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1","","2005-07-12","2011-06-04","(9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol",""],["A1CLO","(7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-{[(6P)-6-(1H-pyrazol-5-yl)pyridin-2-yl]methyl}-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]","C29 H31 N5 O","Cc1nccc(c1)c1ccc2CCC3(CCN(CC3)Cc3cccc(n3)c3ccn[NH]3)Oc2c1C;Cc1cc(ccn1)c2ccc3CCC4(CCN(CC4)Cc5cccc(n5)c6[nH]ncc6)Oc3c2C;Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)Cc5cccc(n5)c6ccn[nH]6","InChI=1S/C29H31N5O/c1-20-18-23(9-14-30-20)25-7-6-22-8-11-29(35-28(22)21(25)2)12-16-34(17-13-29)19-24-4-3-5-26(32-24)27-10-15-31-33-27/h3-7,9-10,14-15,18H,8,11-13,16-17,19H2,1-2H3,(H,31,33)","","2025-08-04","2026-01-16","(7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-{[(6P)-6-(1H-pyrazol-5-yl)pyridin-2-yl]methyl}-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]","2026-01-21"],["ZOA","ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate","C18 H20 N6 O4 S2","NS(=O)(=O)c1ccc(cc1)CNC(=S)Nc1cnn2c(C)c(cnc12)C(=O)OCC;CCOC(=O)c1cnc2n(ncc2NC(=S)NCc3ccc(cc3)[S](N)(=O)=O)c1C;CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H20N6O4S2/c1-3-28-17(25)14-9-20-16-15(10-22-24(16)11(14)2)23-18(29)21-8-12-4-6-13(7-5-12)30(19,26)27/h4-7,9-10H,3,8H2,1-2H3,(H2,19,26,27)(H2,21,23,29)","","2021-05-14","2021-08-20","ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate","2021-08-25"],["ZOB","6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide","C22 H26 F2 N6 O5 S","O=S(=O)(N(CCOC)c1nc(C)cc(OCC)n1)c1ccc(NCc2c(F)cncc2F)nc1OC;CCOc1cc(C)nc(n1)N(CCOC)[S](=O)(=O)c2ccc(NCc3c(F)cncc3F)nc2OC;CCOc1cc(nc(n1)N(CCOC)S(=O)(=O)c2ccc(nc2OC)NCc3c(cncc3F)F)C","InChI=1S/C22H26F2N6O5S/c1-5-35-20-10-14(2)27-22(29-20)30(8-9-33-3)36(31,32)18-6-7-19(28-21(18)34-4)26-11-15-16(23)12-25-13-17(15)24/h6-7,10,12-13H,5,8-9,11H2,1-4H3,(H,26,28)","","2023-06-29","2023-09-29","6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide","2023-10-04"],["A1CLR","(1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid","C13 H14 N2 O2","O=C(O)C1CCCC1c1cccc2[NH]ncc12;OC(=O)[CH]1CCC[CH]1c2cccc3[nH]ncc23;c1cc(c2cn[nH]c2c1)C3CCCC3C(=O)O","InChI=1S/C13H14N2O2/c16-13(17)10-5-1-3-8(10)9-4-2-6-12-11(9)7-14-15-12/h2,4,6-8,10H,1,3,5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1","","2025-08-04","2025-08-08","(1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid","2025-08-13"],["ECT","ECTEINASCIDIN 743","C39 H43 N3 O11 S","O=C(Oc1c9c(c2OCOc2c1C)C8N5C(O)C4N(C)C(c3c(cc(c(OC)c3O)C)C4)C5C9SCC7(c6cc(OC)c(O)cc6CCN7)C(=O)OC8)C;COc1cc2c(CCN[C]23CS[CH]4[CH]5[CH]6N(C)[CH](Cc7cc(C)c(OC)c(O)c67)[CH](O)N5[CH](COC3=O)c8c9OCOc9c(C)c(OC(C)=O)c48)cc1O;Cc1cc2c(c(c1OC)O)C3C4C5c6c(c7c(c(c6OC(=O)C)C)OCO7)C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)c9cc(c(cc9CCN8)O)OC","InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1","","2000-05-12","2011-06-04","(6R,6aR,7R,13S,14S,16R,20R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydro-2'H,6aH-spiro[7,13-epimino-6,16-(epithiopropanooxymethano)[1,3]dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'-isoquinolin]-5-yl acetate",""],["A1CLU","(1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid","C13 H13 N O3","O=C(O)C1CCCC1c1cc2ncoc2cc1;OC(=O)[CH]1CCC[CH]1c2ccc3ocnc3c2;c1cc2c(cc1C3CCCC3C(=O)O)nco2","InChI=1S/C13H13NO3/c15-13(16)10-3-1-2-9(10)8-4-5-12-11(6-8)14-7-17-12/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10-/m1/s1","","2025-08-05","2025-08-08","(1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid","2025-08-13"],["ZOD","[(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate","C17 H25 N5 O15 P2","CC(=O)OC1C(O)OC(C1O)COP(OP(O)(=O)OCC4OC(n2cnc3c(N)ncnc23)C(O)C4O)(=O)O;CC(=O)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1","","2015-07-07","2015-10-30","(2R,3R,4R,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,4-dihydroxytetrahydrofuran-3-yl acetate (non-preferred name)","2015-11-04"],["ECU","2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol","C12 H9 Br N4 O","Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1;c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br","InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16)","","2019-12-10","2020-12-04","2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol","2020-12-09"],["ECV","2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide","C20 H18 F N3 O5","CNC(=O)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3;CNC(=O)CC1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F","InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1","","2017-01-19","2018-03-02","2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide","2018-03-07"],["A1CLV","(1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid","C15 H15 N O2","O=C(O)C1CCCC1c1ccc2cnccc2c1;OC(=O)[CH]1CCC[CH]1c2ccc3cnccc3c2;c1cc2cnccc2cc1C3CCCC3C(=O)O","InChI=1S/C15H15NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9,13-14H,1-3H2,(H,17,18)/t13-,14+/m0/s1","","2025-08-05","2025-08-08","(1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid","2025-08-13"],["ZOE","6-({5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid","C16 H27 N3 O5 S","O=S2C(C1NC(=O)NC1C2)CCCCC(=O)NCCCCCC(=O)O;OC(=O)CCCCCNC(=O)CCCC[CH]1[CH]2NC(=O)N[CH]2C[S]1=O;C1C2C(C(S1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2","InChI=1S/C16H27N3O5S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-25(12)24)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-,25-/m0/s1","","2014-10-16","2015-02-13","6-({5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid","2015-02-18"],["A1CLY","N-(4-fluorophenyl)thiophene-2-carboxamide","C11 H8 F N O S","O=C(Nc1ccc(F)cc1)c1cccs1;Fc1ccc(NC(=O)c2sccc2)cc1;c1cc(sc1)C(=O)Nc2ccc(cc2)F","InChI=1S/C11H8FNOS/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)","","2025-08-05","2025-11-21","N-(4-fluorophenyl)thiophene-2-carboxamide","2025-11-26"],["ECW","[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-5-nitro-furan-2-carboxylate","C18 H19 Br N2 O6","CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c2oc(c(Br)c2)[N+]([O-])=O;CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c2cc(c(o2)[N+](=O)[O-])Br","InChI=1S/C18H19BrN2O6/c1-18(2,3)20(10-12-7-5-4-6-8-12)15(22)11-26-17(23)14-9-13(19)16(27-14)21(24)25/h4-9H,10-11H2,1-3H3","","2022-04-19","2022-04-22","[2-[~{tert}-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-5-nitro-furan-2-carboxylate","2022-04-27"],["ZOF","6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid","C16 H28 N4 O3 S","O=C(O)CCCCCNC(=O)CCCCC1SCC2NC(=[N@H])NC12;OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12;C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)O)NC(=N)N2","InChI=1S/C16H28N4O3S/c17-16-19-11-10-24-12(15(11)20-16)6-3-4-7-13(21)18-9-5-1-2-8-14(22)23/h11-12,15H,1-10H2,(H,18,21)(H,22,23)(H3,17,19,20)/t11-,12-,15-/m0/s1","","2014-10-16","2015-01-16","6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid","2015-01-21"],["ECX","S-ethyl-L-cysteine","C5 H11 N O2 S","O=C(O)C(N)CSCC;CCSC[CH](N)C(O)=O;CCSCC(C(=O)O)N","InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","2009-09-28","2024-09-27","S-ethyl-L-cysteine",""],["A1CLZ","(2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid","C15 H13 N O2","O=C(O)C=1CCCC=1c1ccc2cnccc2c1;OC(=O)C1=C(CCC1)c2ccc3cnccc3c2;c1cc2cnccc2cc1C3=C(CCC3)C(=O)O","InChI=1S/C15H13NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9H,1-3H2,(H,17,18)","","2025-08-05","2025-08-08","(2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid","2025-08-13"],["A1CMA","(1R,2R)-2-(quinolin-7-yl)cyclopentane-1-carboxylic acid","C15 H15 N O2","O=C(O)C1CCCC1c1cc2ncccc2cc1;OC(=O)[CH]1CCC[CH]1c2ccc3cccnc3c2;c1cc2ccc(cc2nc1)C3CCCC3C(=O)O","InChI=1S/C15H15NO2/c17-15(18)13-5-1-4-12(13)11-7-6-10-3-2-8-16-14(10)9-11/h2-3,6-9,12-13H,1,4-5H2,(H,17,18)/t12-,13+/m0/s1","","2025-08-05","2025-08-08","(1R,2R)-2-(quinolin-7-yl)cyclopentane-1-carboxylic acid","2025-08-13"],["ECY","3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid","C37 H39 Cl N4 O4","Cc1cc(cc(C)c1Cl)OCCCc3c2C(N(CCCn2c4c(cccc34)c5c(C)nn(C)c5C)Cc6cccc(c6)C(O)=O)=O;Cn1nc(C)c(c1C)c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c5n(CCCN(Cc6cccc(c6)C(O)=O)C5=O)c23;Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C","InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45)","","2018-01-02","2018-01-26","3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid","2018-01-31"],["A1CMB","(2P)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid","C13 H12 N2 O2 S","O=C(O)C=1CCCC=1c1ccc2nc(N)sc2c1;Nc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O;c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)N","InChI=1S/C13H12N2O2S/c14-13-15-10-5-4-7(6-11(10)18-13)8-2-1-3-9(8)12(16)17/h4-6H,1-3H2,(H2,14,15)(H,16,17)","","2025-08-05","2025-08-08","(2P)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid","2025-08-13"],["ECZ","8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE","C16 H11 F3 N2 O2","COc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F;COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)","","2015-03-27","2016-04-08","8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","2016-04-13"],["A1CMD","(2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid","C15 H16 N2 O2 S","O=C(O)C=1CCCC=1c1ccc2nc(NCC)sc2c1;CCNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O;CCNc1nc2ccc(cc2s1)C3=C(CCC3)C(=O)O","InChI=1S/C15H16N2O2S/c1-2-16-15-17-12-7-6-9(8-13(12)20-15)10-4-3-5-11(10)14(18)19/h6-8H,2-5H2,1H3,(H,16,17)(H,18,19)","","2025-08-05","2025-08-08","(2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid","2025-08-13"],["ED0","4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile","C16 H12 F3 N3","FC(F)(F)c1ccccc1Nc1cccc2CN(Cc21)C#N;FC(F)(F)c1ccccc1Nc2cccc3CN(Cc23)C#N;c1ccc(c(c1)C(F)(F)F)Nc2cccc3c2CN(C3)C#N","InChI=1S/C16H12F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-7,21H,8-9H2","","2021-12-06","2024-09-27","4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile","2023-06-14"],["A1CME","(2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid","C15 H13 N O2","O=C(O)C=1CCCC=1c1cc2ncccc2cc1;OC(=O)C1=C(CCC1)c2ccc3cccnc3c2;c1cc2ccc(cc2nc1)C3=C(CCC3)C(=O)O","InChI=1S/C15H13NO2/c17-15(18)13-5-1-4-12(13)11-7-6-10-3-2-8-16-14(10)9-11/h2-3,6-9H,1,4-5H2,(H,17,18)","","2025-08-05","2025-08-08","(2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid","2025-08-13"],["ED1","3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid","C40 H48 N6 O6 S","O=C(O)CCc1cccc(c1)c2ccccc2S(=O)(=O)N(CC3CCN(C(=O)OC(C)(C)C)CC3)CCN(c4ccc(C#N)cc4)Cc5cncn5C;Cn1cncc1CN(CCN(CC2CCN(CC2)C(=O)OC(C)(C)C)[S](=O)(=O)c3ccccc3c4cccc(CCC(O)=O)c4)c5ccc(cc5)C#N;CC(C)(C)OC(=O)N1CCC(CC1)CN(CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O","InChI=1S/C40H48N6O6S/c1-40(2,3)52-39(49)44-20-18-32(19-21-44)27-46(23-22-45(28-35-26-42-29-43(35)4)34-15-12-31(25-41)13-16-34)53(50,51)37-11-6-5-10-36(37)33-9-7-8-30(24-33)14-17-38(47)48/h5-13,15-16,24,26,29,32H,14,17-23,27-28H2,1-4H3,(H,47,48)","","2008-08-11","2011-06-04","3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid",""],["A1CMH","17-chloranyl-33-fluoranyl-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid","C36 H35 Cl F N5 O3 S","O=C(O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2cc(F)ccc21)CCc1cc(CSCc2nn(C)c(C)c32)nn1C;Cn1nc2CSCc3cc(CCc4cc(OCCCn5c6ccc(Cl)c(c2c1C)c6c(C)c5C(O)=O)c7ccc(F)cc7c4)n(C)n3;Cc1c2c3ccc(c2-c4c(n(nc4CSCc5cc(n(n5)C)CCc6cc7cc(ccc7c(c6)OCCCn3c1C(=O)O)F)C)C)Cl","InChI=1S/C36H35ClFN5O3S/c1-20-32-30-11-10-28(37)34(32)33-21(2)41(3)40-29(33)19-47-18-25-17-26(42(4)39-25)8-6-22-14-23-16-24(38)7-9-27(23)31(15-22)46-13-5-12-43(30)35(20)36(44)45/h7,9-11,14-17H,5-6,8,12-13,18-19H2,1-4H3,(H,44,45)","","2025-08-06","2025-10-03","(15M,24S)-17-chloro-33-fluoro-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid (non-preferred name)","2025-10-08"],["ED2","N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide","C25 H27 N7 O2 S","O=S(=O)(c1ncn(c1)C)N(Cc2ccccc2)CCN(c3ccc(C#N)cc3)Cc4cncn4C;Cn1cnc(c1)[S](=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4;Cn1cc(nc1)S(=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4","InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3","","2008-08-11","2011-06-04","N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide",""],["A1CMI","17-chloranyl-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid","C35 H34 Cl N5 O3 S2","O=C(O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2ccccc21)SCc1cc(CSCc2nn(C)c(C)c32)nn1C;Cn1nc2CSCc3cc(CSc4cc(OCCCn5c6ccc(Cl)c(c2c1C)c6c(C)c5C(O)=O)c7ccccc7c4)n(C)n3;Cc1c2c3ccc(c2-c4c(n(nc4CSCc5cc(n(n5)C)CSc6cc7ccccc7c(c6)OCCCn3c1C(=O)O)C)C)Cl","InChI=1S/C35H34ClN5O3S2/c1-20-31-29-11-10-27(36)33(31)32-21(2)39(3)38-28(32)19-45-17-23-15-24(40(4)37-23)18-46-25-14-22-8-5-6-9-26(22)30(16-25)44-13-7-12-41(29)34(20)35(42)43/h5-6,8-11,14-16H,7,12-13,17-19H2,1-4H3,(H,42,43)","","2025-08-06","2025-10-03","(15M,24S)-17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid (non-preferred name)","2025-10-08"],["ED3","3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione","C22 H19 Cl N4 O4","Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl;Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C","InChI=1S/C22H19ClN4O4/c1-11-13(19(28)18-12(2)24-26(4)20(18)29)9-10-16-17(11)21(30)27(22(31)25(16)3)15-8-6-5-7-14(15)23/h5-10,29H,1-4H3","","2019-12-11","2020-10-09","3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione","2020-10-14"],["ED4","tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate","C29 H40 N8 O4 S","O=S(=O)(c1ncn(c1)C)N(CC2CCN(C(=O)OC(C)(C)C)CC2)CCN(c3ccc(C#N)cc3)Cc4cncn4C;Cn1cnc(c1)[S](=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C;CC(C)(C)OC(=O)N1CCC(CC1)CN(CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C","InChI=1S/C29H40N8O4S/c1-29(2,3)41-28(38)35-12-10-24(11-13-35)18-37(42(39,40)27-20-33(4)22-32-27)15-14-36(19-26-17-31-21-34(26)5)25-8-6-23(16-30)7-9-25/h6-9,17,20-22,24H,10-15,18-19H2,1-5H3","","2008-08-11","2011-06-04","tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate",""],["A1CMV","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide","C29 H33 Cl N2 O2","CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1;CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4;CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4","InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3","","2025-08-07","2025-11-07","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide","2025-11-12"],["A1CMY","2-tert-butyl-4,5-dichloropyridazin-3(2H)-one","C8 H10 Cl2 N2 O","ClC=1C=NN(C(=O)C=1Cl)C(C)(C)C;CC(C)(C)N1N=CC(=C(Cl)C1=O)Cl;CC(C)(C)N1C(=O)C(=C(C=N1)Cl)Cl","InChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3","","2025-08-07","2025-11-21","2-tert-butyl-4,5-dichloropyridazin-3(2H)-one","2025-11-26"],["ED5","tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate","C32 H42 N6 O4 S","O=C(OC(C)(C)C)N1CCC(CC1)CN(S(=O)(=O)c2ccccc2C)CCN(c3ccc(C#N)cc3)Cc4cncn4C;Cn1cncc1CN(CCN(CC2CCN(CC2)C(=O)OC(C)(C)C)[S](=O)(=O)c3ccccc3C)c4ccc(cc4)C#N;Cc1ccccc1S(=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C","InChI=1S/C32H42N6O4S/c1-25-8-6-7-9-30(25)43(40,41)38(22-27-14-16-36(17-15-27)31(39)42-32(2,3)4)19-18-37(23-29-21-34-24-35(29)5)28-12-10-26(20-33)11-13-28/h6-13,21,24,27H,14-19,22-23H2,1-5H3","","2008-08-11","2011-06-04","tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate",""],["ED6","6-deoxy-1-O-phosphono-beta-L-galactopyranose","C6 H13 O8 P","OP(O)(OC1OC(C)C(O)C(O)C1O)=O;C[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)O)O)O)O","InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1","","2019-12-11","2025-02-28","6-deoxy-1-O-phosphono-beta-L-galactopyranose","2025-03-05"],["A1CN6","6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine","C20 H25 F2 N3 O","Cc1cc(nc(N)c1)COc1cc(CCN2CCCCC2)cc(F)c1F;Cc1cc(N)nc(COc2cc(CCN3CCCCC3)cc(F)c2F)c1;Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCCCC3","InChI=1S/C20H25F2N3O/c1-14-9-16(24-19(23)10-14)13-26-18-12-15(11-17(21)20(18)22)5-8-25-6-3-2-4-7-25/h9-12H,2-8,13H2,1H3,(H2,23,24)","","2025-08-21","2025-09-05","6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine","2025-09-10"],["ED7","N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide","C28 H29 N5 O2 S","N#Cc4ccc(N(CCN(Cc1ccccc1)S(=O)(=O)c2ccccc2C)Cc3cncn3C)cc4;Cn1cncc1CN(CCN(Cc2ccccc2)[S](=O)(=O)c3ccccc3C)c4ccc(cc4)C#N;Cc1ccccc1S(=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4","InChI=1S/C28H29N5O2S/c1-23-8-6-7-11-28(23)36(34,35)33(20-25-9-4-3-5-10-25)17-16-32(21-27-19-30-22-31(27)2)26-14-12-24(18-29)13-15-26/h3-15,19,22H,16-17,20-21H2,1-2H3","","2008-08-11","2011-06-04","N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide",""],["ED8","5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide","C26 H25 F3 N4 O3 S","FC(F)(F)c1ccccc1COc5c(sc(n4cnc3ccc(OC2CCN(C)CC2)cc34)c5)C(=O)N;CN1CCC(CC1)Oc2ccc3ncn(c4sc(C(N)=O)c(OCc5ccccc5C(F)(F)F)c4)c3c2;CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F","InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34)","","2010-08-05","2011-06-04","5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide",""],["A1CN7","6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine","C18 H20 F3 N3 O","Cc1cc(nc(N)c1)COc1cc(CCN2CC(F)C2)cc(F)c1F;Cc1cc(N)nc(COc2cc(CCN3CC(F)C3)cc(F)c2F)c1;Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CC(C3)F","InChI=1S/C18H20F3N3O/c1-11-4-14(23-17(22)5-11)10-25-16-7-12(6-15(20)18(16)21)2-3-24-8-13(19)9-24/h4-7,13H,2-3,8-10H2,1H3,(H2,22,23)","","2025-08-21","2025-09-05","6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine","2025-09-10"],["A1CN8","6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine","C20 H24 F3 N3 O","Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)CC2)cc(F)c1F;Cc1cc(N)nc(COc2cc(CCN3CCC(F)CC3)cc(F)c2F)c1;Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCC(CC3)F","InChI=1S/C20H24F3N3O/c1-13-8-16(25-19(24)9-13)12-27-18-11-14(10-17(22)20(18)23)2-5-26-6-3-15(21)4-7-26/h8-11,15H,2-7,12H2,1H3,(H2,24,25)","","2025-08-21","2025-09-05","6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine","2025-09-10"],["ED9","(1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol","C30 H50 O5","O(CCCO)C3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](OCCCO)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C","InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1","","2014-08-18","2014-08-22","(1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol","2014-08-27"],["A1CN9","6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine","C20 H23 F4 N3 O","Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)(F)CC2)cc(F)c1F;Cc1cc(N)nc(COc2cc(CCN3CCC(F)(F)CC3)cc(F)c2F)c1;Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCC(CC3)(F)F","InChI=1S/C20H23F4N3O/c1-13-8-15(26-18(25)9-13)12-28-17-11-14(10-16(21)19(17)22)2-5-27-6-3-20(23,24)4-7-27/h8-11H,2-7,12H2,1H3,(H2,25,26)","","2025-08-21","2025-09-05","6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine","2025-09-10"],["EDA","3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE","C12 H14 N5 O6 P","O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c4nccn4cnc23;c1cn2cnc3c(c2n1)ncn3C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C12H14N5O6P/c18-7-3-9(23-8(7)4-22-24(19,20)21)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18H,3-4H2,(H2,19,20,21)/t7-,8+,9+/m0/s1","","2000-04-28","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purine",""],["A1CNP","(3S)-3-[5-(1-benzyl-4-hydroxypiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione","C25 H27 N3 O4","O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1(O)CCN(Cc2ccccc2)CC1;OC1(CCN(CC1)Cc2ccccc2)c3ccc4C(=O)N(Cc4c3)[CH]5CCC(=O)NC5=O;c1ccc(cc1)CN2CCC(CC2)(c3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O)O","InChI=1S/C25H27N3O4/c29-22-9-8-21(23(30)26-22)28-16-18-14-19(6-7-20(18)24(28)31)25(32)10-12-27(13-11-25)15-17-4-2-1-3-5-17/h1-7,14,21,32H,8-13,15-16H2,(H,26,29,30)/t21-/m0/s1","","2025-08-15","2025-09-26","(3S)-3-[5-(1-benzyl-4-hydroxypiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione","2025-10-01"],["EDB","2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide","C22 H17 Cl2 N5 O2 S","Clc1cccc(c1Cl)NC(=O)/N=C3/N(NC(c2sccc2)=C3)c4cc(ccc4)CC(=O)N;NC(=O)Cc1cccc(c1)N2NC(=CC2=NC(=O)Nc3cccc(Cl)c3Cl)c4sccc4;c1cc(cc(c1)N2C(=NC(=O)Nc3cccc(c3Cl)Cl)C=C(N2)c4cccs4)CC(=O)N","InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12,28H,11H2,(H2,25,30)(H,26,31)/b27-20+","","2010-06-29","2011-06-04","2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-(thiophen-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide",""],["EDC","N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE","C11 H14 N3 O7 P","O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)C=C2)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=Cc3nccn3C2=O;c1cn2c(n1)C=CN(C2=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H14N3O7P/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9-12-2-4-13(9)11(14)16/h1-4,7-8,10,15H,5-6H2,(H2,17,18,19)/t7-,8+,10+/m0/s1","6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one","1999-07-08","2020-06-17","6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one",""],["A1CNU","cyclopropyl[(4R,5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone","C15 H14 F N3 O","FC1CC(c2ccccc2)n2nc(nc12)C(=O)C1CC1;F[CH]1C[CH](n2nc(nc12)C(=O)C3CC3)c4ccccc4;c1ccc(cc1)C2CC(c3n2nc(n3)C(=O)C4CC4)F","InChI=1S/C15H14FN3O/c16-11-8-12(9-4-2-1-3-5-9)19-15(11)17-14(18-19)13(20)10-6-7-10/h1-5,10-12H,6-8H2/t11-,12-/m0/s1","","2025-08-19","2025-11-07","cyclopropyl[(4R,5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone","2025-11-12"],["EDD","2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide","C22 H23 Cl2 N5 O2","Clc1cccc(c1Cl)NC(=O)/N=C3C=C(NN3c2cccc(c2)CC(=O)N)C(C)(C)C;CC(C)(C)C1=CC(=NC(=O)Nc2cccc(Cl)c2Cl)N(N1)c3cccc(CC(N)=O)c3;CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N","InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12,28H,11H2,1-3H3,(H2,25,30)(H,26,31)/b27-19+","","2010-06-29","2011-06-04","2-{3-[(5E)-3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide",""],["A1CNV","methyl 1-[(2,6-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylate","C12 H10 Cl2 N2 O2","O=C(OC)c1ccn(Cc2c(Cl)cccc2Cl)n1;COC(=O)c1ccn(Cc2c(Cl)cccc2Cl)n1;COC(=O)c1ccn(n1)Cc2c(cccc2Cl)Cl","InChI=1S/C12H10Cl2N2O2/c1-18-12(17)11-5-6-16(15-11)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3","","2025-08-19","2025-11-07","methyl 1-[(2,6-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylate","2025-11-12"],["EDE","EDEINE B","C34 H59 N11 O10","O=C(NCCCNCCCCC(=[N@H])N)CNC(=O)CC(O)C(N)CCCC(C(=O)O)NC(=O)C(NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)CN;NC[CH](NC(=O)[CH](O)CNC(=O)C[CH](N)c1ccc(O)cc1)C(=O)N[CH](CCC[CH](N)[CH](O)CC(=O)NCC(=O)NCCCNCCCCC(N)=N)C(O)=O;[H]N=C(CCCCNCCCNC(=O)CNC(=O)CC(C(CCCC(C(=O)O)NC(=O)C(CN)NC(=O)C(CNC(=O)CC(c1ccc(cc1)O)N)O)N)O)N","InChI=1S/C34H59N11O10/c35-17-25(45-33(53)27(48)18-42-29(49)15-23(37)20-8-10-21(46)11-9-20)32(52)44-24(34(54)55)6-3-5-22(36)26(47)16-30(50)43-19-31(51)41-14-4-13-40-12-2-1-7-28(38)39/h8-11,22-27,40,46-48H,1-7,12-19,35-37H2,(H3,38,39)(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,54,55)/t22-,23-,24+,25-,26+,27-/m0/s1","","2001-04-03","2011-06-04","(2R,6S,7R)-6-amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5E)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoethyl}amino)-7-hydroxy-9-oxononanoic acid",""],["A1CNY","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate","C30 H40 F2 N2 O8 S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12;CC[CH](C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CCC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C30H40F2N2O8S/c1-4-18(2)15-34(43(38,39)24-7-5-21(6-8-24)19(3)35)16-27(36)26(13-20-11-22(31)14-23(32)12-20)33-30(37)42-28-17-41-29-25(28)9-10-40-29/h5-8,11-12,14,18-19,25-29,35-36H,4,9-10,13,15-17H2,1-3H3,(H,33,37)/t18-,19-,25-,26-,27+,28-,29+/m0/s1","","2025-08-20","2025-12-19","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate","2025-12-24"],["EDF","(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one","C23 H25 N5 O","CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12;CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C","InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1","","2019-12-13","2020-12-11","(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one","2020-12-16"],["A1CNZ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C30 H40 N2 O8 S","OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5[CH](O)CCc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O","InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(36,37)22-9-10-23-21(15-22)8-11-26(23)33)17-27(34)25(14-20-6-4-3-5-7-20)31-30(35)40-28-18-39-29-24(28)12-13-38-29/h3-7,9-10,15,19,24-29,33-34H,8,11-14,16-18H2,1-2H3,(H,31,35)/t24-,25-,26+,27+,28-,29+/m0/s1","","2025-08-20","2025-12-19","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2025-12-24"],["EDG","1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL","C5 H11 N O3","OC[CH]1NC[CH](O)[CH]1O;C1C(C(C(N1)CO)O)O","InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1","","2011-03-24","2011-07-08","(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol",""],["EDH","N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide","C18 H18 N4 O2","C(c3cccc(C(=O)/N=C1Nc2c(N1CCC)cccc2)c3)(=O)N;CCCN1C(Nc2ccccc12)=NC(=O)c3cccc(c3)C(N)=O;CCCN1c2ccccc2NC1=NC(=O)c3cccc(c3)C(=O)N","InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)","EDHS-206","2017-05-17","2021-03-01","N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide","2017-08-30"],["A1COA","6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine","C19 H25 F2 N3 O","Cc1cc(COc2cc(CCN(CC)CC)cc(F)c2F)nc(N)c1;CCN(CC)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1;CCN(CC)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2)N)C","InChI=1S/C19H25F2N3O/c1-4-24(5-2)7-6-14-10-16(20)19(21)17(11-14)25-12-15-8-13(3)9-18(22)23-15/h8-11H,4-7,12H2,1-3H3,(H2,22,23)","","2025-08-21","2025-09-05","6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine","2025-09-10"],["A1COE","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate","C30 H40 F2 N2 O8 S","CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12;CC[CH](C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CCC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C30H40F2N2O8S/c1-4-18(2)15-34(43(38,39)24-7-5-21(6-8-24)19(3)35)16-27(36)26(13-20-11-22(31)14-23(32)12-20)33-30(37)42-28-17-41-29-25(28)9-10-40-29/h5-8,11-12,14,18-19,25-29,35-36H,4,9-10,13,15-17H2,1-3H3,(H,33,37)/t18-,19+,25-,26-,27+,28-,29+/m0/s1","","2025-08-21","2025-12-19","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate","2025-12-24"],["EDI","2'-deoxy-1-(2-iodoethyl)inosine","C12 H16 I N4 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2N=CN(C1=O)CCI)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N(CCI)C=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CN(C2=O)CCI","InChI=1S/C12H16IN4O7P/c13-1-2-16-5-15-11-10(12(16)19)14-6-17(11)9-3-7(18)8(24-9)4-23-25(20,21)22/h5-9,18H,1-4H2,(H2,20,21,22)/t7-,8+,9+/m0/s1","","2014-05-19","2014-06-27","2'-deoxy-1-(2-iodoethyl)inosine 5'-(dihydrogen phosphate)","2014-07-02"],["A1COF","4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide","C17 H14 F2 N4 O4","Fc1ccc(CNC(=O)C2=C(N)c3c(nccc3CO)N(O)C2=O)c(F)c1;NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3nccc(CO)c13;c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)N","InChI=1S/C17H14F2N4O4/c18-10-2-1-8(11(19)5-10)6-22-16(25)13-14(20)12-9(7-24)3-4-21-15(12)23(27)17(13)26/h1-5,24,27H,6-7,20H2,(H,22,25)","","2025-08-21","2026-01-09","4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide","2026-01-14"],["EDJ","2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid","C21 H21 Br N4 O5","c1(c(Br)cnc(n1)Nc2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C;CNC(=O)c1ccccc1Oc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2Br;CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br","InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)","","2018-01-02","2020-04-13","2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid","2018-05-09"],["A1COK","6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine","C20 H24 F3 N3 O","Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F)C2)cc(F)c1F;Cc1cc(N)nc(COc2cc(CCN3CCC[CH](F)C3)cc(F)c2F)c1;Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCCC(C3)F","InChI=1S/C20H24F3N3O/c1-13-7-16(25-19(24)8-13)12-27-18-10-14(9-17(22)20(18)23)4-6-26-5-2-3-15(21)11-26/h7-10,15H,2-6,11-12H2,1H3,(H2,24,25)/t15-/m0/s1","","2025-08-21","2025-09-05","6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine","2025-09-10"],["EDK","(2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid","C30 H29 N3 O4","CN(CCOc1ccc(C[CH](Nc2ccccc2C(=O)c3ccccc3)C(O)=O)cc1)c4ccccn4;CN(CCOc1ccc(cc1)CC(C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4","InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1","","2018-03-15","2019-02-08","(2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid","2019-02-13"],["A1CQ1","4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-3-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C21 H23 Cl N6 O2","O=C(CNC(=O)c1cnc2c(c1Cl)c(C)nn2CCc1cccnc1)N1CCCC1;Cc1nn(CCc2cccnc2)c3ncc(C(=O)NCC(=O)N4CCCC4)c(Cl)c13;Cc1c2c(c(cnc2n(n1)CCc3cccnc3)C(=O)NCC(=O)N4CCCC4)Cl","InChI=1S/C21H23ClN6O2/c1-14-18-19(22)16(21(30)25-13-17(29)27-8-2-3-9-27)12-24-20(18)28(26-14)10-6-15-5-4-7-23-11-15/h4-5,7,11-12H,2-3,6,8-10,13H2,1H3,(H,25,30)","","2025-08-25","2026-01-16","4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-3-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2026-01-21"],["EDM","6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine","C9 H13 N3 O2 S","O=S(=O)(c1nc(C=C)cc(n1)N(C)C)C;CN(C)c1cc(C=C)nc(n1)[S](C)(=O)=O;CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C","InChI=1S/C9H13N3O2S/c1-5-7-6-8(12(2)3)11-9(10-7)15(4,13)14/h5-6H,1H2,2-4H3","","2009-08-27","2011-06-04","6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine",""],["A1CQ2","1-(4-{(7M)-7-[6-amino-3-(trifluoromethyl)pyridin-2-yl]-6-chloroquinazolin-4-yl}piperazin-1-yl)propan-1-one","C21 H20 Cl F3 N6 O","O=C(CC)N1CCN(CC1)c1ncnc2cc(c3nc(N)ccc3C(F)(F)F)c(Cl)cc12;CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4nc(N)ccc4C(F)(F)F;CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc(n4)N)C(F)(F)F)Cl","InChI=1S/C21H20ClF3N6O/c1-2-18(32)30-5-7-31(8-6-30)20-13-9-15(22)12(10-16(13)27-11-28-20)19-14(21(23,24)25)3-4-17(26)29-19/h3-4,9-11H,2,5-8H2,1H3,(H2,26,29)","","2025-08-25","2026-03-06","1-(4-{(7M)-7-[6-amino-3-(trifluoromethyl)pyridin-2-yl]-6-chloroquinazolin-4-yl}piperazin-1-yl)propan-1-one","2026-03-11"],["EDN","ETHANE-1,2-DIAMINE","C2 H8 N2","NCCN;C(CN)N","InChI=1S/C2H8N2/c3-1-2-4/h1-4H2","ETHYLENEDIAMINE","2010-11-15","2024-09-27","ethane-1,2-diamine",""],["A1CQQ","4-chloro-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C23 H26 Cl N5 O2","O=C(CCNC(=O)c1cnc2c(c1Cl)c(C)nn2CCc1ccccc1)N1CCCC1;Cc1nn(CCc2ccccc2)c3ncc(C(=O)NCCC(=O)N4CCCC4)c(Cl)c13;Cc1c2c(c(cnc2n(n1)CCc3ccccc3)C(=O)NCCC(=O)N4CCCC4)Cl","InChI=1S/C23H26ClN5O2/c1-16-20-21(24)18(23(31)25-11-9-19(30)28-12-5-6-13-28)15-26-22(20)29(27-16)14-10-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,25,31)","","2025-08-24","2026-01-16","4-chloro-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2026-01-21"],["EDO","1,2-ETHANEDIOL","C2 H6 O2","OCCO;OCCO;C(CO)O","InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","ETHYLENE GLYCOL","1999-07-08","2021-03-01","ethane-1,2-diol",""],["A1CQR","2-[4-chloro-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-(pyrrolidin-1-yl)ethan-1-one","C20 H21 Cl N4 O","Clc1ccnc2c1c(nn2CCc1ccccc1)CC(=O)N1CCCC1;Clc1ccnc2n(CCc3ccccc3)nc(CC(=O)N4CCCC4)c12;c1ccc(cc1)CCn2c3c(c(ccn3)Cl)c(n2)CC(=O)N4CCCC4","InChI=1S/C20H21ClN4O/c21-16-8-10-22-20-19(16)17(14-18(26)24-11-4-5-12-24)23-25(20)13-9-15-6-2-1-3-7-15/h1-3,6-8,10H,4-5,9,11-14H2","","2025-08-24","2026-01-16","2-[4-chloro-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-(pyrrolidin-1-yl)ethan-1-one","2026-01-21"],["EDP","5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","C11 H18 N2 O2 S","O=C1NC(=S)NC(=O)C1(C(C)CCC)CC;CCC[CH](C)C1(CC)C(=O)NC(=S)NC1=O;CCCC(C)C1(C(=O)NC(=S)NC1=O)CC","InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1","Thiopental","2011-04-05","2021-03-01","5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",""],["A1CQU","4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C16 H20 Cl N5 O2","O=C(CCNC(=O)c1cnc2c(c1Cl)c(C)nn2C)N1CCCC1;Cn1nc(C)c2c(Cl)c(cnc12)C(=O)NCCC(=O)N3CCCC3;Cc1c2c(c(cnc2n(n1)C)C(=O)NCCC(=O)N3CCCC3)Cl","InChI=1S/C16H20ClN5O2/c1-10-13-14(17)11(9-19-15(13)21(2)20-10)16(24)18-6-5-12(23)22-7-3-4-8-22/h9H,3-8H2,1-2H3,(H,18,24)","","2025-08-24","2026-01-16","4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2026-01-21"],["EDR","EDROPHONIUM ION","C10 H16 N O","Oc1cccc(c1)[N+](C)(CC)C;CC[N+](C)(C)c1cccc(O)c1;CC[N+](C)(C)c1cccc(c1)O","InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1","","1999-07-08","2011-06-04","N-ethyl-3-hydroxy-N,N-dimethylanilinium",""],["A1CQV","1,3-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C15 H14 Cl N5 O","Clc1c(cnc2c1c(C)nn2C)C(=O)NCc1cccnc1;Cn1nc(C)c2c(Cl)c(cnc12)C(=O)NCc3cccnc3;Cc1c2c(c(cnc2n(n1)C)C(=O)NCc3cccnc3)Cl","InChI=1S/C15H14ClN5O/c1-9-12-13(16)11(8-18-14(12)21(2)20-9)15(22)19-7-10-4-3-5-17-6-10/h3-6,8H,7H2,1-2H3,(H,19,22)","","2025-08-24","2026-01-16","4-chloro-1,3-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2026-01-21"],["EDS","(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y\nl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide","C25 H48 N6 O10","C1(C(NC(=O)C(CCN)O)CC(C(C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(O)(CO3)C)O;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3OC(=CC[CH]3N)CNCCO)[CH](N)C[CH]2NC(=O)[CH](O)CCN;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CNCCO)N)N)NC(=O)C(CCN)O)O","InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1","plazomicin","2018-01-02","2020-06-17","(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide","2018-01-31"],["EDT","{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID","C10 H16 N2 O8","O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O;OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O;C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O","InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)","","2003-01-16","2011-06-04","2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid",""],["A1CQY","3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C21 H23 Cl N6 O2","O=C(CNC(=O)c1cnc2c(c1Cl)c(C)nn2CCc1ccncc1)N1CCCC1;Cc1nn(CCc2ccncc2)c3ncc(C(=O)NCC(=O)N4CCCC4)c(Cl)c13;Cc1c2c(c(cnc2n(n1)CCc3ccncc3)C(=O)NCC(=O)N4CCCC4)Cl","InChI=1S/C21H23ClN6O2/c1-14-18-19(22)16(21(30)25-13-17(29)27-9-2-3-10-27)12-24-20(18)28(26-14)11-6-15-4-7-23-8-5-15/h4-5,7-8,12H,2-3,6,9-11,13H2,1H3,(H,25,30)","","2025-08-25","2026-01-16","4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2026-01-21"],["A1CQZ","4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C22 H24 Cl N5 O2","O=C(CNC(=O)c1cnc2c(c1Cl)c(C)nn2CCc1ccccc1)N1CCCC1;Cc1nn(CCc2ccccc2)c3ncc(C(=O)NCC(=O)N4CCCC4)c(Cl)c13;Cc1c2c(c(cnc2n(n1)CCc3ccccc3)C(=O)NCC(=O)N4CCCC4)Cl","InChI=1S/C22H24ClN5O2/c1-15-19-20(23)17(22(30)25-14-18(29)27-10-5-6-11-27)13-24-21(19)28(26-15)12-9-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,25,30)","","2025-08-25","2026-01-16","4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2026-01-21"],["EDU","2'-deoxy-5-ethynyluridine","C11 H12 N2 O5","O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2)CO;OC[CH]1O[CH](C[CH]1O)N2C=C(C#C)C(=O)NC2=O;C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1","","2014-02-12","2014-08-08","2'-deoxy-5-ethynyluridine","2014-08-13"],["EDV","1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione","C12 H14 N2 O5","O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2C)CO;C[CH]1[CH](O)[CH](CO)O[CH]1N2C=C(C#C)C(=O)NC2=O;CC1C(C(OC1N2C=C(C(=O)NC2=O)C#C)CO)O","InChI=1S/C12H14N2O5/c1-3-7-4-14(12(18)13-10(7)17)11-6(2)9(16)8(5-15)19-11/h1,4,6,8-9,11,15-16H,5H2,2H3,(H,13,17,18)/t6-,8+,9-,11+/m0/s1","(2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE","2014-02-12","2021-03-01","1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione","2014-08-13"],["A1CR4","methyl {(2S)-1-[(1R,2S,5S)-2-{[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-5-(methylsulfanyl)-1-oxopentan-3-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)","C25 H42 N4 O6 S","CC1(C)C2C(C(=O)NC(CCSC)C(O)C(=O)NC3CC3)N(CC21)C(=O)C(NC(=O)OC)C(C)(C)C;COC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CCSC)[CH](O)C(=O)NC3CC3)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC)C(=O)NC(CCSC)C(C(=O)NC3CC3)O)C","InChI=1S/C25H42N4O6S/c1-24(2,3)19(28-23(34)35-6)22(33)29-12-14-16(25(14,4)5)17(29)20(31)27-15(10-11-36-7)18(30)21(32)26-13-8-9-13/h13-19,30H,8-12H2,1-7H3,(H,26,32)(H,27,31)(H,28,34)/t14-,15-,16-,17-,18+,19+/m0/s1","","2025-09-03","2026-01-16","methyl {(2S)-1-[(1R,2S,5S)-2-{[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-5-(methylsulfanyl)-1-oxopentan-3-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)","2026-01-21"],["A1CR5","(1R,2S,5S)-6,6-dimethyl-N-[(2S)-4-(methylsulfanyl)-1-oxobutan-2-yl]-3-[N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C20 H30 F3 N3 O4 S","CC1(C)C2C(C(=O)NC(C=O)CCSC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)C;CSCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)C(F)(F)F)C(C)C)C2(C)C)C=O;CC(C)C(C(=O)N1CC2C(C1C(=O)NC(CCSC)C=O)C2(C)C)NC(=O)C(F)(F)F","InChI=1S/C20H30F3N3O4S/c1-10(2)14(25-18(30)20(21,22)23)17(29)26-8-12-13(19(12,3)4)15(26)16(28)24-11(9-27)6-7-31-5/h9-15H,6-8H2,1-5H3,(H,24,28)(H,25,30)/t11-,12-,13-,14-,15-/m0/s1","","2025-09-03","2026-01-16","(1R,2S,5S)-6,6-dimethyl-N-[(2S)-4-(methylsulfanyl)-1-oxobutan-2-yl]-3-[N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2026-01-21"],["EDX","(2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid","C15 H22 N4 O4","NC(=N)NCCCC[CH](NC(=O)OCc1ccccc1)C(O)=O;c1ccc(cc1)COC(=O)NC(CCCCNC(=N)N)C(=O)O","InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1","","2019-12-13","2024-09-27","(2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid","2020-10-28"],["A1CRA","4-(2-aminoethyl)-2-iodophenol","C8 H10 I N O","Ic1cc(CCN)ccc1O;NCCc1ccc(O)c(I)c1;c1cc(c(cc1CCN)I)O","InChI=1S/C8H10INO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2","","2025-08-26","2025-10-17","4-(2-aminoethyl)-2-iodophenol","2025-10-22"],["EDZ","1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea","C11 H12 N4 O2 S","c1ccc(c(c1)CCO)NC(Nc2cnns2)=O;OCCc1ccccc1NC(=O)Nc2snnc2;c1ccc(c(c1)CCO)NC(=O)Nc2cnns2","InChI=1S/C11H12N4O2S/c16-6-5-8-3-1-2-4-9(8)13-11(17)14-10-7-12-15-18-10/h1-4,7,16H,5-6H2,(H2,13,14,17)","","2016-01-22","2016-07-22","1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea","2016-07-27"],["EE0","(2~{R})-2-azanylpentanoic acid","C5 H11 N O2","CCC[CH](N)C(O)=O;CCCC(C(=O)O)N","InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1","","2019-12-13","2024-09-27","(2~{R})-2-azanylpentanoic acid","2020-10-28"],["A1CRB","2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one","C6 H5 F3 N2 O","O=C(c1nccn1C)C(F)(F)F;Cn1ccnc1C(=O)C(F)(F)F;Cn1ccnc1C(=O)C(F)(F)F","InChI=1S/C6H5F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-3H,1H3","","2025-08-26","2025-10-17","2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one","2025-10-22"],["A1CRK","{(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone","C22 H28 N2 O2 S","O=C(C1CC2CCCCC2N1C(=O)C1CC1c1ccccc1)N1CCSC1;O=C([CH]1C[CH]2CCCC[CH]2N1C(=O)[CH]3C[CH]3c4ccccc4)N5CCSC5;c1ccc(cc1)C2CC2C(=O)N3C4CCCCC4CC3C(=O)N5CCSC5","InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1","","2025-08-27","2026-01-16","{(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone","2026-01-21"],["EE1","(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid","C26 H34 N7 O22 P3","NC(=O)C1=CN(C=C[CH]1[CH](CC(O)=O)C(=O)C(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(C(=C5)C(=O)N)C(CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N","InChI=1S/C26H34N7O22P3/c27-21-15-23(30-7-29-21)33(8-31-15)25-20(54-56(43,44)45)18(38)13(53-25)6-51-58(48,49)55-57(46,47)50-5-12-17(37)19(39)24(52-12)32-2-1-9(11(4-32)22(28)40)10(3-14(34)35)16(36)26(41)42/h1-2,4,7-10,12-13,17-20,24-25,37-39H,3,5-6H2,(H2,28,40)(H,34,35)(H,41,42)(H,46,47)(H,48,49)(H2,27,29,30)(H2,43,44,45)/t9-,10-,12+,13+,17+,18+,19+,20+,24+,25+/m0/s1","NADPH with ketoglutarate adduct","2018-01-02","2021-03-01","(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid","2018-02-07"],["EE2","(2R)-2-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2S)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C22 H20 O7","O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)/C=C4c3ccccc3CC4O;O[CH]1Cc2ccccc2C1=Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O)O","InChI=1S/C22H20O7/c23-17-10-12-3-1-2-4-15(12)16(17)9-13-5-7-18-21(20(13)22(26)27)28-11-14(29-18)6-8-19(24)25/h1-5,7,9,14,17,23H,6,8,10-11H2,(H,24,25)(H,26,27)/b16-9+/t14-,17+/m1/s1","","2013-11-14","2014-04-16","(2R)-2-(2-carboxyethyl)-6-{(E)-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-27"],["A1CRO","N,N-diethyl-N~2~-hexanoyl-D-asparaginyl-N-{(1S)-2-(2,4-difluorophenyl)-1-[(2S,3S,5S,6S)-5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]ethyl}-4-fluoro-L-phenylalaninamide","C39 H54 F3 N5 O8","OC1(OC(C)C(NC1(C)CO)C=O)C(NC(=O)C(Cc1ccc(F)cc1)NC(=O)C(CC(=O)N(CC)CC)NC(=O)CCCCC)Cc1ccc(F)cc1F;CCCCCC(=O)N[CH](CC(=O)N(CC)CC)C(=O)N[CH](Cc1ccc(F)cc1)C(=O)N[CH](Cc2ccc(F)cc2F)[C]3(O)O[CH](C)[CH](N[C]3(C)CO)C=O;CCCCCC(=O)NC(CC(=O)N(CC)CC)C(=O)NC(Cc1ccc(cc1)F)C(=O)NC(Cc2ccc(cc2F)F)C3(C(NC(C(O3)C)C=O)(C)CO)O","InChI=1S/C39H54F3N5O8/c1-6-9-10-11-34(50)43-31(21-35(51)47(7-2)8-3)36(52)44-30(18-25-12-15-27(40)16-13-25)37(53)45-33(19-26-14-17-28(41)20-29(26)42)39(54)38(5,23-49)46-32(22-48)24(4)55-39/h12-17,20,22,24,30-33,46,49,54H,6-11,18-19,21,23H2,1-5H3,(H,43,50)(H,44,52)(H,45,53)/t24-,30-,31+,32+,33-,38-,39-/m0/s1","","2025-08-29","2025-10-24","N,N-diethyl-N~2~-hexanoyl-D-asparaginyl-N-{(1S)-2-(2,4-difluorophenyl)-1-[(2S,3S,5S,6S)-5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]ethyl}-4-fluoro-L-phenylalaninamide","2025-10-29"],["A1CRR","(5P)-3-chloro-4-cyclopropyl-5-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)phenol","C30 H34 Cl F N6 O2","Oc1cc(c(C2CC2)c(Cl)c1)c1ncc2c(nc(nc2N2CC3CCC(N3)C2)OCC23CCCN3CCC2)c1F;Oc1cc(Cl)c(C2CC2)c(c1)c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N7C[CH]8CC[CH](C7)N8;c1c(cc(c(c1c2c(c3c(cn2)c(nc(n3)OCC45CCCN4CCC5)N6CC7CCC(C6)N7)F)C8CC8)Cl)O","InChI=1S/C30H34ClFN6O2/c31-23-12-20(39)11-21(24(23)17-3-4-17)26-25(32)27-22(13-33-26)28(37-14-18-5-6-19(15-37)34-18)36-29(35-27)40-16-30-7-1-9-38(30)10-2-8-30/h11-13,17-19,34,39H,1-10,14-16H2/t18-,19+","","2025-08-29","2026-02-20","(5P)-3-chloro-4-cyclopropyl-5-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)phenol","2026-02-25"],["EE3","(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid","C10 H15 N3 O4","N[CH](CCCCNC(=O)c1ocnc1)C(O)=O;c1c(ocn1)C(=O)NCCCCC(C(=O)O)N","InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1","","2019-12-13","2024-09-27","(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid","2020-10-28"],["EE4","N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide","C30 H30 F N5 O5","c5c(C(c1c(OCCC)ccc(c1F)OC)=O)ccc(C(=O)NC2C(CNC2)NC(=O)c3cc4c(cc3)nnc4)c5;CCCOc1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O)N[CH]3CNC[CH]3NC(=O)c4ccc5[nH]ncc5c4;CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)NC3CNCC3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC","InChI=1S/C30H30FN5O5/c1-3-12-41-24-10-11-25(40-2)27(31)26(24)28(37)17-4-6-18(7-5-17)29(38)34-22-15-32-16-23(22)35-30(39)19-8-9-21-20(13-19)14-33-36-21/h4-11,13-14,22-23,32H,3,12,15-16H2,1-2H3,(H,33,36)(H,34,38)(H,35,39)/t22-,23-/m1/s1","","2018-01-03","2018-05-25","N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide","2018-05-30"],["A1CRV","(3P)-3-{3-[(1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl]-1-cyclopropyl-7-fluoro-4-(propan-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl}-5-chloro-4-(trifluoromethyl)aniline","C25 H25 Cl F4 N4","FC(F)(F)c1c(Cl)cc(N)cc1c1nc(c2c(c1F)n(cc2C1C2CNCC21)C1CC1)C(C)C;CC(C)c1nc(c(F)c2n(cc(C3[CH]4CNC[CH]34)c12)C5CC5)c6cc(N)cc(Cl)c6C(F)(F)F;CC(C)c1c2c(cn(c2c(c(n1)c3cc(cc(c3C(F)(F)F)Cl)N)F)C4CC4)C5C6C5CNC6","InChI=1S/C25H25ClF4N4/c1-10(2)22-19-16(18-14-7-32-8-15(14)18)9-34(12-3-4-12)24(19)21(27)23(33-22)13-5-11(31)6-17(26)20(13)25(28,29)30/h5-6,9-10,12,14-15,18,32H,3-4,7-8,31H2,1-2H3/t14-,15+,18+","","2025-09-02","2026-02-20","(3P)-3-{3-[(1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl]-1-cyclopropyl-7-fluoro-4-(propan-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl}-5-chloro-4-(trifluoromethyl)aniline","2026-02-25"],["EE5","4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid","C20 H16 N2 O3 S","CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C(O)=O;CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O","InChI=1S/C20H16N2O3S/c1-3-4-13-7-10-16-18(12(13)2)21-17(22-19(16)23)11-26-15-8-5-14(6-9-15)20(24)25/h5-10H,11H2,1-2H3,(H,24,25)(H,21,22,23)","","2018-03-15","2019-02-15","4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid","2019-02-20"],["A1CRY","(5M)-4-{4-[(4-{4-[2-({7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-propanoylpiperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl}oxy)ethyl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-carboxamide","C57 H66 Cl N13 O6","CC(C)c1cc(c(O)cc1O)c1nnc(C(N)=O)n1c1ccc(cc1)CN1CCC(CC1)C(=O)N1CCN(CCOc2nc3CN(CCc3c(n2)N2CC(CC#N)N(CC2)C(=O)CC)c2cccc3cccc(Cl)c32)CC1;CCC(=O)N1CCN(C[CH]1CC#N)c2nc(OCCN3CCN(CC3)C(=O)C4CCN(CC4)Cc5ccc(cc5)n6c(nnc6c7cc(C(C)C)c(O)cc7O)C(N)=O)nc8CN(CCc28)c9cccc%10cccc(Cl)c9%10;CCC(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCCN4CCN(CC4)C(=O)C5CCN(CC5)Cc6ccc(cc6)n7c(nnc7C(=O)N)c8cc(c(cc8O)O)C(C)C)CN(CC3)c9cccc1c9c(ccc1)Cl","InChI=1S/C57H66ClN13O6/c1-4-50(74)70-28-27-69(34-41(70)15-19-59)53-42-18-22-68(47-10-6-8-38-7-5-9-45(58)51(38)47)35-46(42)61-57(62-53)77-30-29-65-23-25-67(26-24-65)56(76)39-16-20-66(21-17-39)33-37-11-13-40(14-12-37)71-54(63-64-55(71)52(60)75)44-31-43(36(2)3)48(72)32-49(44)73/h5-14,31-32,36,39,41,72-73H,4,15-18,20-30,33-35H2,1-3H3,(H2,60,75)/t41-/m0/s1","RNK07311","2025-09-02","2025-10-10","(5M)-4-{4-[(4-{4-[2-({7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-propanoylpiperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl}oxy)ethyl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-carboxamide","2025-10-15"],["A1CRZ","(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine","C19 H12 Cl N3","Clc1cc(c(nn1)c1ccc2ccccc2c1)c1ccncc1;Clc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3c(cc(nn3)Cl)c4ccncc4","InChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H","","2025-09-02","2025-09-12","(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine","2025-09-17"],["EE6","3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one","C27 H28 O5","CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3;CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C","InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3","","2019-12-13","2020-12-11","3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one","2020-12-16"],["EE7","1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C32 H36 F4 N8 O S","c56c(c(NC1CCN(CC1)Cc2ccc3c(c2C)cc(n3CCN4CCN(CC4)C(=O)CF)C#N)ncn5)cc(s6)CC(F)(F)F;Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(CCN6CCN(CC6)C(=O)CF)c(cc15)C#N;Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F","InChI=1S/C32H36F4N8OS/c1-21-22(2-3-28-26(21)14-24(18-37)44(28)13-10-41-8-11-43(12-9-41)29(45)17-33)19-42-6-4-23(5-7-42)40-30-27-15-25(16-32(34,35)36)46-31(27)39-20-38-30/h2-3,14-15,20,23H,4-13,16-17,19H2,1H3,(H,38,39,40)","","2018-01-03","2018-11-23","1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2018-11-28"],["EE8","~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide","C10 H12 Cl N O2","CCOc1ccc(NC(C)=O)cc1Cl;CCOc1ccc(cc1Cl)NC(=O)C","InChI=1S/C10H12ClNO2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)","","2018-03-15","2018-07-13","~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide","2018-07-18"],["A1CS3","methyl (1S)-2-oxocyclopentane-1-carboxylate","C7 H10 O3","O=C1CCCC1C(=O)OC;COC(=O)[CH]1CCCC1=O;COC(=O)C1CCCC1=O","InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1","","2025-09-10","2025-10-17","methyl (1S)-2-oxocyclopentane-1-carboxylate","2025-10-22"],["A1CSC","methyl 3-amino-2-hydroxybenzoate","C8 H9 N O3","Nc1cccc(C(=O)OC)c1O;COC(=O)c1cccc(N)c1O;COC(=O)c1cccc(c1O)N","InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3","","2025-09-04","2026-01-09","methyl 3-amino-2-hydroxybenzoate","2026-01-14"],["EE9","(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one","C26 H26 N6 O","CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12;CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C","InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1","","2019-12-13","2020-12-11","(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one","2020-12-16"],["EEA","N-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide","C28 H29 Cl N4 O8","O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)CCc3onc(c2ccc(c1cccc(Cl)c1)cc2)c3)CCC(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C28H29ClN4O8/c29-19-3-1-2-18(14-19)16-4-6-17(7-5-16)23-15-20(41-33-23)8-11-24(34)31-22(10-13-26(37)38)28(40)32-21(27(30)39)9-12-25(35)36/h1-7,14-15,21-22H,8-13H2,(H2,30,39)(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t21-,22-/m0/s1","","2010-03-18","2012-09-13","N-{3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine",""],["A1CSV","(2S)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine","C12 H17 N","CN(C)C1Cc2ccccc2CC1;CN(C)[CH]1CCc2ccccc2C1;CN(C)C1CCc2ccccc2C1","InChI=1S/C12H17N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1","","2025-09-09","2025-12-12","(2S)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine","2025-12-17"],["EEB","URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID","C21 H33 N3 O19 P2","O=P(OC1OC(C(O)C(OC(C(=O)O)CC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O;CCC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C21H33N3O19P2/c1-3-9(19(31)32)39-17-13(22-8(2)26)20(41-10(6-25)15(17)29)42-45(36,37)43-44(34,35)38-7-11-14(28)16(30)18(40-11)24-5-4-12(27)23-21(24)33/h4-5,9-11,13-18,20,25,28-30H,3,6-7H2,1-2H3,(H,22,26)(H,31,32)(H,34,35)(H,36,37)(H,23,27,33)/t9-,10-,11-,13-,14-,15-,16-,17-,18-,20-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}butanoic acid (non-preferred name)",""],["A1CSW","1-(trimethyl-$l^{4}-azanyl)adamantane","C13 H24 N","C[N+](C)(C)C12CC3CC(CC(C1)C3)C2;C[N+](C)(C)C12CC3CC(CC(C3)C1)C2;C[N+](C)(C)C12CC3CC(C1)CC(C3)C2","InChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1/t10-,11+,12-,13-","","2025-09-09","2025-12-12","(3s,5s,7s)-N,N,N-trimethyladamantan-1-aminium","2025-12-17"],["EEC","N-[3-(3-phenylisoxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamyl-amide","C22 H26 N4 O8","O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)CCc2onc(c1ccccc1)c2)CCC(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)CCc1onc(c1)c2ccccc2;c1ccc(cc1)c2cc(on2)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C22H26N4O8/c23-21(32)15(7-10-19(28)29)25-22(33)16(8-11-20(30)31)24-18(27)9-6-14-12-17(26-34-14)13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H2,23,32)(H,24,27)(H,25,33)(H,28,29)(H,30,31)/t15-,16-/m0/s1","","2010-03-18","2012-09-13","N-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamine",""],["EED","(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL","C20 H28 O3","Oc1cc4c(cc1)C3C(CC2(C(CCC2O)C3CC4)C)COC;COC[CH]1C[C]2(C)[CH](O)CC[CH]2[CH]3CCc4cc(O)ccc4[CH]13;CC12CC(C3c4ccc(cc4CCC3C1CCC2O)O)COC","InChI=1S/C20H28O3/c1-20-10-13(11-23-2)19-15-6-4-14(21)9-12(15)3-5-16(19)17(20)7-8-18(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18+,19-,20+/m1/s1","","2007-07-11","2011-06-04","(9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol",""],["A1CSX","(4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide","C29 H28 Cl2 F2 N6 O3","Fc1ccc(cc1Cl)C(CC(N)=O)NC(=O)c1c[NH]c(c1c1ccc(Cl)cc1F)c1cn(CCN2CCOCC2)nc1;NC(=O)C[CH](NC(=O)c1c[nH]c(c2cnn(CCN3CCOCC3)c2)c1c4ccc(Cl)cc4F)c5ccc(F)c(Cl)c5;c1cc(c(cc1C(CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)c4cnn(c4)CCN5CCOCC5)Cl)F","InChI=1S/C29H28Cl2F2N6O3/c30-19-2-3-20(24(33)12-19)27-21(29(41)37-25(13-26(34)40)17-1-4-23(32)22(31)11-17)15-35-28(27)18-14-36-39(16-18)6-5-38-7-9-42-10-8-38/h1-4,11-12,14-16,25,35H,5-10,13H2,(H2,34,40)(H,37,41)/t25-/m0/s1","","2025-09-10","2025-10-10","(4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide","2025-10-15"],["A1CT1","N-[(pyridin-3-yl)methyl]benzenecarbothioamide","C13 H12 N2 S","S=C(NCc1cccnc1)c1ccccc1;S=C(NCc1cccnc1)c2ccccc2;c1ccc(cc1)C(=S)NCc2cccnc2","InChI=1S/C13H12N2S/c16-13(12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h1-9H,10H2,(H,15,16)","","2025-09-17","2026-02-13","N-[(pyridin-3-yl)methyl]benzenecarbothioamide","2026-02-18"],["EEE","ETHYL ACETATE","C4 H8 O2","O=C(OCC)C;CCOC(C)=O;CCOC(=O)C","InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","","1999-07-08","2024-09-27","ethyl acetate",""],["A1CT2","4-(piperazin-1-yl)phenol","C10 H14 N2 O","Oc1ccc(cc1)N1CCNCC1;Oc1ccc(cc1)N2CCNCC2;c1cc(ccc1N2CCNCC2)O","InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2","","2025-09-17","2026-02-13","4-(piperazin-1-yl)phenol","2026-02-18"],["EEF","N-(3-biphenyl-4-ylpropanoyl)-L-alpha-glutamyl-L-alpha-glutamyl-amide","C25 H29 N3 O7","C(C(NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O)=O)Cc2ccc(c1ccccc1)cc2;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C25H29N3O7/c26-24(34)19(11-14-22(30)31)28-25(35)20(12-15-23(32)33)27-21(29)13-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,19-20H,8,11-15H2,(H2,26,34)(H,27,29)(H,28,35)(H,30,31)(H,32,33)/t19-,20-/m0/s1","","2010-08-13","2015-04-02","N-[3-(biphenyl-4-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamine",""],["A1CTE","2-(2-amino-5-fluoro-4-methyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide","C16 H12 Cl3 F N4 O","Clc1cc(Cl)cc(Cl)c1NC(=O)Cn1c2ccc(F)c(C)c2nc1N;Cc1c(F)ccc2n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(N)nc12;Cc1c(ccc2c1nc(n2CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)N)F","InChI=1S/C16H12Cl3FN4O/c1-7-11(20)2-3-12-14(7)23-16(21)24(12)6-13(25)22-15-9(18)4-8(17)5-10(15)19/h2-5H,6H2,1H3,(H2,21,23)(H,22,25)","","2025-09-15","2026-04-03","2-(2-amino-5-fluoro-4-methyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide","2026-04-08"],["EEG","N-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide","C29 H31 N3 O7 S","O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)CCc3ccc(c2scc(c1ccccc1)c2)cc3)CCC(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2scc(c2)c3ccccc3;c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23-/m0/s1","","2010-03-18","2011-09-29","N-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine",""],["EEH","N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide","C33 H40 N4 O4 S","CNC(=O)CN1CCN([CH](Cc2ccccc2)C1=O)C(=O)C[CH]3CC[CH](CC3)NC(=O)Cc4sc5ccccc5c4C;Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)C4Cc5ccccc5)CC(=O)NC","InChI=1S/C33H40N4O4S/c1-22-26-10-6-7-11-28(26)42-29(22)20-30(38)35-25-14-12-24(13-15-25)19-32(40)37-17-16-36(21-31(39)34-2)33(41)27(37)18-23-8-4-3-5-9-23/h3-11,24-25,27H,12-21H2,1-2H3,(H,34,39)(H,35,38)/t24-,25+,27-/m0/s1","","2016-03-22","2016-11-25","N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide","2016-11-30"],["EEI","5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine","C19 H19 N5 S","Cn1cc(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4;Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C","InChI=1S/C19H19N5S/c1-13-9-14(2)24-10-16(21-18(24)20-13)12-25-19-22-17(11-23(19)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3","","2022-01-05","2023-04-14","5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine","2023-04-19"],["A1CTQ","2-(2-amino-5,6-dimethyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide","C17 H15 Cl3 N4 O","Clc1cc(Cl)cc(Cl)c1NC(=O)Cn1c2cc(C)c(C)cc2nc1N;Cc1cc2nc(N)n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2cc1C;Cc1cc2c(cc1C)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl","InChI=1S/C17H15Cl3N4O/c1-8-3-13-14(4-9(8)2)24(17(21)22-13)7-15(25)23-16-11(19)5-10(18)6-12(16)20/h3-6H,7H2,1-2H3,(H2,21,22)(H,23,25)","","2025-09-15","2026-04-03","2-(2-amino-5,6-dimethyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide","2026-04-08"],["A1CTR","2-(2-amino-4-methyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide","C16 H13 Cl3 N4 O","Clc1cc(Cl)cc(Cl)c1NC(=O)Cn1c2cccc(C)c2nc1N;Cc1cccc2n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(N)nc12;Cc1cccc2c1nc(n2CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)N","InChI=1S/C16H13Cl3N4O/c1-8-3-2-4-12-14(8)22-16(20)23(12)7-13(24)21-15-10(18)5-9(17)6-11(15)19/h2-6H,7H2,1H3,(H2,20,22)(H,21,24)","","2025-09-15","2026-04-03","2-(2-amino-4-methyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide","2026-04-08"],["EEJ","methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate","C31 H31 Cl2 N9 O4","c1cc(ccc1c5cc(C(NC(C=Cc2c(ccc(c2)Cl)n3cnnn3)=O)CC4CCCN(C4)C(=O)C)nnc5Cl)NC(OC)=O;COC(=O)Nc1ccc(cc1)c2cc(nnc2Cl)[CH](C[CH]3CCCN(C3)C(C)=O)NC(=O)C=Cc4cc(Cl)ccc4n5cnnn5;CC(=O)N1CCCC(C1)CC(c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C31H31Cl2N9O4/c1-19(43)41-13-3-4-20(17-41)14-26(36-29(44)12-7-22-15-23(32)8-11-28(22)42-18-34-39-40-42)27-16-25(30(33)38-37-27)21-5-9-24(10-6-21)35-31(45)46-2/h5-12,15-16,18,20,26H,3-4,13-14,17H2,1-2H3,(H,35,45)(H,36,44)/b12-7+/t20-,26+/m1/s1","","2018-01-04","2018-03-02","methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate","2018-03-07"],["EEK","~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide","C9 H8 Cl2 N2 O3","ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1;c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl","InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)","","2018-03-15","2018-08-31","~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide","2018-09-05"],["A1CTU","(3R)-3-(6-{[(3R,4R)-1-{5-chloro-4-[(1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidin-2-yl}-3-methylpiperidin-4-yl]amino}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione","C32 H34 Cl N9 O3","O=C1Cc2cc(ccc2N1C)Nc1nc(ncc1Cl)N1CCC(Nc2ccc3c(c2)n(C)nc3C2CCC(=O)NC2=O)C(C)C1;C[CH]1CN(CC[CH]1Nc2ccc3c(c2)n(C)nc3[CH]4CCC(=O)NC4=O)c5ncc(Cl)c(Nc6ccc7N(C)C(=O)Cc7c6)n5;CC1CN(CCC1Nc2ccc3c(c2)n(nc3C4CCC(=O)NC4=O)C)c5ncc(c(n5)Nc6ccc7c(c6)CC(=O)N7C)Cl","InChI=1S/C32H34ClN9O3/c1-17-16-42(32-34-15-23(33)30(38-32)36-19-5-8-25-18(12-19)13-28(44)40(25)2)11-10-24(17)35-20-4-6-21-26(14-20)41(3)39-29(21)22-7-9-27(43)37-31(22)45/h4-6,8,12,14-15,17,22,24,35H,7,9-11,13,16H2,1-3H3,(H,34,36,38)(H,37,43,45)/t17-,22-,24-/m1/s1","","2025-09-16","2026-02-13","(3R)-3-(6-{[(3R,4R)-1-{5-chloro-4-[(1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidin-2-yl}-3-methylpiperidin-4-yl]amino}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione","2026-02-18"],["A1CTV","(7R)-7-hydroxy-N-{(5P)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide","C20 H19 F6 N7 O2","O=C(Nc1cn[NH]c1c1cc2n(CC(F)(F)F)ncc2cn1)N1CCC(O)(CC21CC2)C(F)(F)F;O[C]1(CCN(C(=O)Nc2cn[nH]c2c3cc4n(CC(F)(F)F)ncc4cn3)C5(CC5)C1)C(F)(F)F;c1c2c(cnc1c3c(cn[nH]3)NC(=O)N4CCC(CC45CC5)(C(F)(F)F)O)cnn2CC(F)(F)F","InChI=1S/C20H19F6N7O2/c21-19(22,23)10-33-14-5-12(27-6-11(14)7-29-33)15-13(8-28-31-15)30-16(34)32-4-3-18(35,20(24,25)26)9-17(32)1-2-17/h5-8,35H,1-4,9-10H2,(H,28,31)(H,30,34)/t18-/m1/s1","","2025-09-16","2026-02-13","(7R)-7-hydroxy-N-{(5P)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide","2026-02-18"],["EEL","(2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid","C9 H15 N O3 S2","OC(=O)[CH]1CCCN1C(=O)C(CS)CS;C1CC(N(C1)C(=O)C(CS)CS)C(=O)O","InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1","","2019-12-16","2020-12-11","(2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid","2020-12-16"],["A1CTX","(1R,3r,5S)-3-hydroxy-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide","C16 H19 N5 O2","OC1CC2CCC(C1)N2C(=O)Nc1c[NH]nc1c1ncccc1;O[CH]1C[CH]2CC[CH](C1)N2C(=O)Nc3c[nH]nc3c4ccccn4;c1ccnc(c1)c2c(c[nH]n2)NC(=O)N3C4CCC3CC(C4)O","InChI=1S/C16H19N5O2/c22-12-7-10-4-5-11(8-12)21(10)16(23)19-14-9-18-20-15(14)13-3-1-2-6-17-13/h1-3,6,9-12,22H,4-5,7-8H2,(H,18,20)(H,19,23)/t10-,11+,12+","","2025-09-16","2026-02-13","(1R,3r,5S)-3-hydroxy-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide","2026-02-18"],["EEM","[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium","C15 H23 N6 O5 Se","O=C(O)C(N)CC[Se+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;C[Se+](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;C[Se+](CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27-/m0/s1","Se-ADENOSYLSELENOMETHIONINE","2008-09-03","2021-03-01","[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylselenonium (non-preferred name)",""],["EEN","2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose","C8 H13 F2 N O6","OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)NC(=O)C(F)F)O)O)O","InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8+/m1/s1","N-DIFLUOROACETYL-D-GALACTOSAMINE; 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactose;\n2-deoxy-2-[(difluoroacetyl)amino]-D-galactose; 2-deoxy-2-[(difluoroacetyl)amino]-galactose","2018-03-16","2024-09-27","2,2-bis(fluoranyl)-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide","2019-02-20"],["A1CU8","ethyl 3-[(8aS,9S,10S)-9-{4-[(2-cyclopropylphenyl)methoxy]phenyl}-6,6-dimethyl-8-oxo-7,8,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-4(6H)-yl]propanoate","C31 H35 N5 O4","O=C(OCC)CCN1C=2CC(C)(C)CC(=O)C=2C(c2ccc(OCc3ccccc3C3CC3)cc2)n2nnnc12;CCOC(=O)CCN1C2=C([CH](n3nnnc13)c4ccc(OCc5ccccc5C6CC6)cc4)C(=O)CC(C)(C)C2;CCOC(=O)CCN1c2nnnn2C(C3=C1CC(CC3=O)(C)C)c4ccc(cc4)OCc5ccccc5C6CC6","InChI=1S/C31H35N5O4/c1-4-39-27(38)15-16-35-25-17-31(2,3)18-26(37)28(25)29(36-30(35)32-33-34-36)21-11-13-23(14-12-21)40-19-22-7-5-6-8-24(22)20-9-10-20/h5-8,11-14,20,29H,4,9-10,15-19H2,1-3H3/t29-/m1/s1","","2025-09-23","2025-12-05","ethyl 3-[(9R,10S)-9-{4-[(2-cyclopropylphenyl)methoxy]phenyl}-6,6-dimethyl-8-oxo-5,7,8,9-tetrahydrotetrazolo[5,1-b]quinazolin-4(6H)-yl]propanoate","2025-12-10"],["A1CUB","4-acetylbenzene-1-sulfonamide","C8 H9 N O3 S","O=S(N)(=O)c1ccc(cc1)C(C)=O;CC(=O)c1ccc(cc1)[S](N)(=O)=O;CC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)","","2025-09-18","2026-02-13","4-acetylbenzene-1-sulfonamide","2026-02-18"],["EEO","(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid","C11 H19 N O3 S","C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O;CC(CS)C(=O)N1CCCCCC1C(=O)O","InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1","","2019-12-17","2020-12-11","(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid","2020-12-16"],["A1CUD","N-(2-fluorophenyl)pyridine-3-carboxamide","C12 H9 F N2 O","O=C(Nc1ccccc1F)c1cccnc1;Fc1ccccc1NC(=O)c2cccnc2;c1ccc(c(c1)NC(=O)c2cccnc2)F","InChI=1S/C12H9FN2O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,(H,15,16)","","2025-09-18","2026-02-13","N-(2-fluorophenyl)pyridine-3-carboxamide","2026-02-18"],["EEP","(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid","C6 H13 N O4","C(C)(O)(CC(C(=O)O)N)CO;C[C](O)(CO)C[CH](N)C(O)=O;CC(CC(C(=O)O)N)(CO)O","InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m0/s1","","2018-01-05","2024-09-27","(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name)","2018-01-31"],["A1CUE","3-oxo-3-(piperidin-1-yl)propanenitrile","C8 H12 N2 O","O=C(CC#N)N1CCCCC1;O=C(CC#N)N1CCCCC1;C1CCN(CC1)C(=O)CC#N","InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2","","2025-09-18","2026-02-13","3-oxo-3-(piperidin-1-yl)propanenitrile","2026-02-18"],["EEQ","2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose","C8 H14 F N O6","OC[CH]1O[CH](O)[CH](NC(=O)CF)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)NC(=O)CF)O)O)O","InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8+/m1/s1","2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide;\n2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactose; 2-deoxy-2-[(fluoroacetyl)amino]-D-galactose;\n2-deoxy-2-[(fluoroacetyl)amino]-galactose","2018-03-16","2024-09-27","2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide","2019-02-20"],["A1CUQ","3-(1H-pyrrol-1-yl)benzene-1-carbothioamide","C11 H10 N2 S","NC(=S)c1cccc(c1)n1cccc1;NC(=S)c1cccc(c1)n2cccc2;c1ccn(c1)c2cccc(c2)C(=S)N","InChI=1S/C11H10N2S/c12-11(14)9-4-3-5-10(8-9)13-6-1-2-7-13/h1-8H,(H2,12,14)","","2025-09-19","2026-02-13","3-(1H-pyrrol-1-yl)benzene-1-carbothioamide","2026-02-18"],["EER","(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid","C10 H17 N O3 S","C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O;CC(CS)C(=O)N1CCCCC1C(=O)O","InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1","","2019-12-17","2020-12-11","(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid","2020-12-16"],["A1CUR","N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide","C14 H15 N O2 S","O=C(NCCSCc1ccco1)c1ccccc1;O=C(NCCSCc1occc1)c2ccccc2;c1ccc(cc1)C(=O)NCCSCc2ccco2","InChI=1S/C14H15NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h1-7,9H,8,10-11H2,(H,15,16)","","2025-09-19","2026-02-13","N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide","2026-02-18"],["EES","3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL","C13 H9 Cl N2 O2","Clc1c3cc(O)ccc3nn1c2ccc(O)cc2;Oc1ccc(cc1)n2nc3ccc(O)cc3c2Cl;c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O","InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H","","2007-07-11","2011-06-04","3-chloro-2-(4-hydroxyphenyl)-2H-indazol-5-ol",""],["A1CUU","5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one","C7 H12 N2 O","CC(C)(C)C=1CC(=O)NN=1;CC(C)(C)C1=NNC(=O)C1;CC(C)(C)C1=NNC(=O)C1","InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(10)9-8-5/h4H2,1-3H3,(H,9,10)","","2025-09-22","2026-02-13","5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one","2026-02-18"],["EET","(5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid","C20 H34 O4","CCCCC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O;CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O","InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-/t18-,19-/m1/s1","","2016-05-17","2024-09-27","(5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid","2017-01-11"],["A1CUV","(4S)-4-(prop-2-en-1-yl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one","C9 H14 N2 O","CCCC1=NNC(=O)C1CC=C;CCCC1=NNC(=O)[CH]1CC=C;CCCC1=NNC(=O)C1CC=C","InChI=1S/C9H14N2O/c1-3-5-7-8(6-4-2)10-11-9(7)12/h3,7H,1,4-6H2,2H3,(H,11,12)/t7-/m0/s1","","2025-09-22","2026-02-13","(4S)-4-(prop-2-en-1-yl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one","2026-02-18"],["EEU","ESTRADIOL-PYRIDINIUM TETRAACETIC ACID","C35 H41 N3 O10","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C#Cc5cc(CN(CC(O)=O)CC(O)=O)nc(CN(CC(O)=O)CC(O)=O)c5;CC12CCC3c4ccc(cc4CCC3C1CCC2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O","InChI=1S/C35H41N3O10/c1-34-9-7-27-26-5-3-25(39)14-22(26)2-4-28(27)29(34)8-11-35(34,48)10-6-21-12-23(15-37(17-30(40)41)18-31(42)43)36-24(13-21)16-38(19-32(44)45)20-33(46)47/h3,5,12-14,27-29,39,48H,2,4,7-9,11,15-20H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)/t27-,28-,29+,34+,35+/m1/s1","","2011-02-24","2011-06-04","2-[[6-[(bis(carboxymethyl)amino)methyl]-4-[2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid",""],["EEV","4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C29 H30 F3 N7 O2 S","c56c(c(NC1CCN(CC1)Cc4ccc3c(cc(C#N)n3CC2CNC(CO2)=O)c4C)ncn5)cc(CC(F)(F)F)s6;Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(C[CH]6CNC(=O)CO6)c(cc15)C#N;Cc1c(ccc2c1cc(n2CC3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F","InChI=1S/C29H30F3N7O2S/c1-17-18(2-3-25-23(17)8-20(11-33)39(25)14-21-12-34-26(40)15-41-21)13-38-6-4-19(5-7-38)37-27-24-9-22(10-29(30,31)32)42-28(24)36-16-35-27/h2-3,8-9,16,19,21H,4-7,10,12-15H2,1H3,(H,34,40)(H,35,36,37)/t21-/m0/s1","","2018-01-05","2018-11-23","4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2018-11-28"],["A1CUX","3-(phenoxymethyl)aniline","C13 H13 N O","Nc1cccc(COc2ccccc2)c1;Nc1cccc(COc2ccccc2)c1;c1ccc(cc1)OCc2cccc(c2)N","InChI=1S/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2","","2025-09-22","2026-02-13","3-(phenoxymethyl)aniline","2026-02-18"],["A1CUY","[2-(phenoxymethyl)phenyl]methanol","C14 H14 O2","OCc1ccccc1COc1ccccc1;OCc1ccccc1COc2ccccc2;c1ccc(cc1)OCc2ccccc2CO","InChI=1S/C14H14O2/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h1-9,15H,10-11H2","","2025-09-22","2026-02-13","[2-(phenoxymethyl)phenyl]methanol","2026-02-18"],["EEW","[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid","C14 H27 N2 O5 P","CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)OC;CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OC","InChI=1S/C14H27N2O5P/c1-5-10(6-2)21-13-8-11(22(18,19)20-4)7-12(15)14(13)16-9(3)17/h8,10,12-14H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)/t12-,13+,14+/m0/s1","","2018-03-16","2019-01-18","[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid","2019-01-23"],["A1CVA","N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide","C8 H8 F3 N3 S","S=C(Nc1cc(ccc1)C(F)(F)F)NN;NNC(=S)Nc1cccc(c1)C(F)(F)F;c1cc(cc(c1)NC(=S)NN)C(F)(F)F","InChI=1S/C8H8F3N3S/c9-8(10,11)5-2-1-3-6(4-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15)","","2025-09-23","2026-02-13","N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide","2026-02-18"],["EEX","(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid","C14 H17 N O3 S","C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O;CC(CS)C(=O)N1CCc2ccccc2C1C(=O)O","InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1","","2019-12-17","2020-12-11","(1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid","2020-12-16"],["A1CVB","1-[2-(morpholin-4-yl)phenyl]methanamine","C11 H16 N2 O","NCc1ccccc1N1CCOCC1;NCc1ccccc1N2CCOCC2;c1ccc(c(c1)CN)N2CCOCC2","InChI=1S/C11H16N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-9,12H2","","2025-09-23","2026-02-13","1-[2-(morpholin-4-yl)phenyl]methanamine","2026-02-18"],["EEY","2-chloro-5-nitro-N-(pyridin-4-yl)benzamide","C12 H8 Cl N3 O3","C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O;[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2;c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl","InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)","","2018-01-08","2024-09-27","2-chloro-5-nitro-N-(pyridin-4-yl)benzamide","2018-12-12"],["A1CVE","N-cyclohexyl-N'-(2-hydroxyethyl)thiourea","C9 H18 N2 O S","S=C(NC1CCCCC1)NCCO;OCCNC(=S)NC1CCCCC1;C1CCC(CC1)NC(=S)NCCO","InChI=1S/C9H18N2OS/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)","","2025-09-23","2026-02-13","N-cyclohexyl-N'-(2-hydroxyethyl)thiourea","2026-02-18"],["EEZ","~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide","C23 H23 Cl N2 O4 S","CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C)c3ccccc3)c(Cl)c2)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)OC(C)c3ccccc3)Cl","InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1","","2018-03-16","2018-07-13","~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide","2018-07-18"],["EF0","1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid","C10 H17 N O3 S","C[CH](CS)C(=O)N1CCC(CC1)C(O)=O;CC(CS)C(=O)N1CCC(CC1)C(=O)O","InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1","","2019-12-17","2020-12-11","1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid","2020-12-16"],["A1CVF","N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine","C14 H23 N3","CN1CCCN(CC1)c1ccc(CNC)cc1;CNCc1ccc(cc1)N2CCCN(C)CC2;CNCc1ccc(cc1)N2CCCN(CC2)C","InChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3","","2025-09-23","2026-02-13","N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine","2026-02-18"],["A1CVP","N-(2-cyano-4,6-difluorophenyl)acetamide","C9 H6 F2 N2 O","O=C(C)Nc1c(cc(F)cc1F)C#N;CC(=O)Nc1c(F)cc(F)cc1C#N;CC(=O)Nc1c(cc(cc1F)F)C#N","InChI=1S/C9H6F2N2O/c1-5(14)13-9-6(4-12)2-7(10)3-8(9)11/h2-3H,1H3,(H,13,14)","","2025-09-23","2026-02-13","N-(2-cyano-4,6-difluorophenyl)acetamide","2026-02-18"],["EF1","(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid","C21 H35 N2 O5 P","O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C;CC(C)[CH](NC(=O)CCc1ccccc1)[P](O)(=O)C[CH](CCCCCN)C(O)=O;CC(C)C(NC(=O)CCc1ccccc1)P(=O)(CC(CCCCCN)C(=O)O)O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","EF6265","2013-06-13","2020-06-17","(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid","2013-10-02"],["EF2","S-Thalidomide","C13 H10 N2 O4","O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O;O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1;c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1","","2013-12-05","2014-09-05","2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","2014-07-16"],["EF3","(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine","C23 H27 F3 N6 O","FC(F)(F)c4cc(c1nc(C=[N@H])c2ncn(c2c1)C)ccc4OCCCN3CCN(CC3)C;CN1CCN(CCCOc2ccc(cc2C(F)(F)F)c3cc4n(C)cnc4c(C=N)n3)CC1;Cn1cnc2c1cc(nc2C=N)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C","InChI=1S/C23H27F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-15,27H,3,6-11H2,1-2H3/b27-14+","","2010-05-25","2024-09-27","(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine",""],["A1CVS","1-{5-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","C10 H16 N2 O10 P2 S","O=P(O)(O)CP(=O)(O)OCC1OC(N2C=CC(=O)NC2=S)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=S;C1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C10H16N2O10P2S/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1","","2025-09-24","2025-11-14","1-{5-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","2025-11-19"],["A1CVV","N-(2,6-dimethylphenyl)-N'-(2-hydroxyethyl)thiourea","C11 H16 N2 O S","S=C(Nc1c(C)cccc1C)NCCO;Cc1cccc(C)c1NC(=S)NCCO;Cc1cccc(c1NC(=S)NCCO)C","InChI=1S/C11H16N2OS/c1-8-4-3-5-9(2)10(8)13-11(15)12-6-7-14/h3-5,14H,6-7H2,1-2H3,(H2,12,13,15)","","2025-09-25","2026-02-13","N-(2,6-dimethylphenyl)-N'-(2-hydroxyethyl)thiourea","2026-02-18"],["JP3","2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide","C12 H10 N6 O3","O=C(NCc1occc1)c2nc3N=C(N)NC(=O)c3nc2;NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCc3occc3;c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20)","","2010-12-14","2011-06-17","2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide",""],["JP4","[2-(morpholin-4-yl)phenyl]methanol","C11 H15 N O2","C1COCCN1c2ccccc2CO;OCc1ccccc1N2CCOCC2;c1ccc(c(c1)CO)N2CCOCC2","InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2","","2018-09-12","2018-10-05","[2-(morpholin-4-yl)phenyl]methanol","2018-10-10"],["A1CVW","(5R)-5-methyl-6-(thiophen-2-yl)-4,5-dihydropyridazin-3(2H)-one","C9 H10 N2 O S","CC1CC(=O)NN=C1c1cccs1;C[CH]1CC(=O)NN=C1c2sccc2;CC1CC(=O)NN=C1c2cccs2","InChI=1S/C9H10N2OS/c1-6-5-8(12)10-11-9(6)7-3-2-4-13-7/h2-4,6H,5H2,1H3,(H,10,12)/t6-/m1/s1","","2025-09-25","2026-02-13","(5R)-5-methyl-6-(thiophen-2-yl)-4,5-dihydropyridazin-3(2H)-one","2026-02-18"],["A1CVZ","1-(7-amino-1H-indol-1-yl)ethan-1-one","C10 H10 N2 O","CC(=O)n1ccc2cccc(N)c21;CC(=O)n1ccc2cccc(N)c12;CC(=O)n1ccc2c1c(ccc2)N","InChI=1S/C10H10N2O/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-6H,11H2,1H3","","2025-09-26","2026-02-13","1-(7-amino-1H-indol-1-yl)ethan-1-one","2026-02-18"],["JP5","(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate","C12 H12 N2 O4","O=C1C[CH](NC(=O)OCc2ccccc2)C(=O)N1;c1ccc(cc1)COC(=O)NC2CC(=O)NC2=O","InChI=1S/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1","","2019-03-14","2019-08-02","(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate","2019-08-07"],["JP6","2-[(4-chlorophenyl)methylamino]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","C15 H16 Cl N5 O","CCCC1=Nc2nc(NCc3ccc(Cl)cc3)nn2C(=O)C1;CCCC1=Nc2nc(nn2C(=O)C1)NCc3ccc(cc3)Cl","InChI=1S/C15H16ClN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,20)","","2022-05-06","2025-11-07","2-[(4-chlorophenyl)methylamino]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","2025-11-12"],["A1CWA","(2-azanylimidazol-1-yl)-[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]phosphinic acid","C13 H17 N8 O6 P","Nc1nccn1P(=O)(O)OCC1OC(CC1O)n1cnc2c1N=C(N)NC2=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)n4ccnc4N)O3;c1cn(c(n1)N)P(=O)(O)OCC2C(CC(O2)n3cnc4c3N=C(NC4=O)N)O","InChI=1S/C13H17N8O6P/c14-12-18-10-9(11(23)19-12)17-5-20(10)8-3-6(22)7(27-8)4-26-28(24,25)21-2-1-16-13(21)15/h1-2,5-8,22H,3-4H2,(H2,15,16)(H,24,25)(H3,14,18,19,23)/t6-,7+,8+/m0/s1","5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine","2025-09-29","2025-10-17","5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine","2025-10-22"],["JP7","(6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one","C14 H16 N2 O3","C2N4C(CCN4C3c1ccc(OC)cc1OCC23)=O;COc1ccc2[CH]3[CH](COc2c1)CN4N3CCC4=O;COc1ccc2c(c1)OCC3C2N4CCC(=O)N4C3","InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14+/m0/s1","","2018-09-12","2018-10-05","(6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one","2018-10-10"],["A1CWB","N-(5-chloro-4,6-dimethylpyrimidin-2-yl)-6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-2-methylpyridine-3-sulfonamide","C18 H17 Cl F2 N6 O2 S","O=S(=O)(Nc1nc(C)c(Cl)c(C)n1)c1ccc(NCc2c(F)cncc2F)nc1C;Cc1nc(N[S](=O)(=O)c2ccc(NCc3c(F)cncc3F)nc2C)nc(C)c1Cl;Cc1c(ccc(n1)NCc2c(cncc2F)F)S(=O)(=O)Nc3nc(c(c(n3)C)Cl)C","InChI=1S/C18H17ClF2N6O2S/c1-9-15(30(28,29)27-18-25-10(2)17(19)11(3)26-18)4-5-16(24-9)23-6-12-13(20)7-22-8-14(12)21/h4-5,7-8H,6H2,1-3H3,(H,23,24)(H,25,26,27)","","2025-09-29","2026-03-20","N-(5-chloro-4,6-dimethylpyrimidin-2-yl)-6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-2-methylpyridine-3-sulfonamide","2026-03-25"],["A1CWE","N'-(2,4-difluorophenyl)-N,N-dimethylthiourea","C9 H10 F2 N2 S","S=C(Nc1ccc(F)cc1F)N(C)C;CN(C)C(=S)Nc1ccc(F)cc1F;CN(C)C(=S)Nc1ccc(cc1F)F","InChI=1S/C9H10F2N2S/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)","","2025-09-29","2026-02-13","N'-(2,4-difluorophenyl)-N,N-dimethylthiourea","2026-02-18"],["JP8","[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate","C11 H17 N3 O4","O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1;C1CC(NC1)COC(=O)NC2CCC(=O)NC2=O","InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1","","2019-03-14","2019-08-02","[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate","2019-08-07"],["A1CWF","4-aminobenzamide","C7 H8 N2 O","O=C(N)c1ccc(N)cc1;NC(=O)c1ccc(N)cc1;c1cc(ccc1C(=O)N)N","InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)","","2025-09-29","2026-02-13","4-aminobenzamide","2026-02-18"],["JP9","(3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid","C6 H13 O11 P S","OC(C(O)CS(=O)(=O)O)C(O)C(=O)COP(=O)(O)O;O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)S(=O)(=O)O","InChI=1S/C6H13O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h4-6,8-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t4-,5-,6-/m1/s1","","2023-08-08","2024-09-16","6-deoxy-1-O-phosphono-6-sulfo-D-fructose","2023-10-25"],["JPA","4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL","C19 H14 Cl2 O2","Clc3cc(Cl)ccc3Oc2ccc(c1ccccc1C)cc2O;Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2;Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl","InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3","","2006-01-18","2011-06-04","4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol",""],["A1CWO","N-ethyl-1H-1,3-benzimidazol-2-amine","C9 H11 N3","CCNc1nc2ccccc2[NH]1;CCNc1[nH]c2ccccc2n1;CCNc1[nH]c2ccccc2n1","InChI=1S/C9H11N3/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,10,11,12)","","2025-09-29","2026-02-13","N-ethyl-1H-1,3-benzimidazol-2-amine","2026-02-18"],["A1CWR","methyl 3-deoxy-beta-D-manno-oct-2-ulopyranosidonic acid","C9 H16 O8","COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O;CO[C]1(C[CH](O)[CH](O)[CH](O1)[CH](O)CO)C(O)=O;COC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O","InChI=1S/C9H16O8/c1-16-9(8(14)15)2-4(11)6(13)7(17-9)5(12)3-10/h4-7,10-13H,2-3H2,1H3,(H,14,15)/t4-,5-,6-,7-,9+/m1/s1","","2025-09-30","2026-01-23","methyl 3-deoxy-beta-D-manno-oct-2-ulopyranosidonic acid","2026-01-28"],["JPB","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide","C11 H7 Cl3 N2 O3","Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1;c1c(cc(c(c1Cl)C(=O)NC2CC(=O)NC2=O)Cl)Cl","InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1","","2019-03-14","2019-08-02","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide","2019-08-07"],["JPC","3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID","C21 H17 Cl2 N O3 S","O=C(O)c2sc(cc2N(C(=O)c1ccc(Cl)cc1Cl)C(C)C)c3ccccc3;CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c2cc(sc2C(O)=O)c3ccccc3;CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl","InChI=1S/C21H17Cl2NO3S/c1-12(2)24(20(25)15-9-8-14(22)10-16(15)23)17-11-18(28-19(17)21(26)27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,26,27)","","2005-03-02","2011-06-04","3-{[(2,4-dichlorophenyl)carbonyl](1-methylethyl)amino}-5-phenylthiophene-2-carboxylic acid",""],["A1CWU","4-(piperazin-1-yl)benzonitrile","C11 H13 N3","N#Cc1ccc(cc1)N1CCNCC1;N#Cc1ccc(cc1)N2CCNCC2;c1cc(ccc1C#N)N2CCNCC2","InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2","","2025-09-30","2026-02-13","4-(piperazin-1-yl)benzonitrile","2026-02-18"],["JPD","methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate","C12 H21 N O4","C21(C(C(CC)O)N(C(OC)=O)C(CC1)CC2)O;CC[CH](O)[CH]1N(C2CCC1(O)CC2)C(=O)OC;CCC(C1C2(CCC(N1C(=O)OC)CC2)O)O","InChI=1S/C12H21NO4/c1-3-9(14)10-12(16)6-4-8(5-7-12)13(10)11(15)17-2/h8-10,14,16H,3-7H2,1-2H3/t8-,9-,10-,12-/m0/s1","","2018-09-12","2018-10-05","methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate","2018-10-10"],["A1CWV","1,3-diazaspiro[4.5]decane-2,4-dione","C8 H12 N2 O2","O=C1NC(=O)NC21CCCCC2;O=C1NC(=O)C2(CCCCC2)N1;C1CCC2(CC1)C(=O)NC(=O)N2","InChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)","","2025-09-30","2026-02-13","1,3-diazaspiro[4.5]decane-2,4-dione","2026-02-18"],["JPE","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","C18 H22 N8 O8 S","N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(nc23)c4cccnc4;c1cc(cnc1)c2nc(c3c(n2)n(cn3)C4C(C(C(O4)COS(=O)(=O)NC(=O)C(CO)N)O)O)N","InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1","","2019-03-14","2020-01-17","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","2020-01-22"],["A1CWW","(6aS,10R)-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-one","C10 H11 N3 O","O=C1Nc2cccnc2N2CCCC12;O=C1Nc2cccnc2N3CCC[CH]13;c1cc2c(nc1)N3CCCC3C(=O)N2","InChI=1S/C10H11N3O/c14-10-8-4-2-6-13(8)9-7(12-10)3-1-5-11-9/h1,3,5,8H,2,4,6H2,(H,12,14)/t8-/m0/s1","","2025-09-30","2026-02-13","(6aS,10R)-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-one","2026-02-18"],["A1CWZ","3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","C10 H11 N O2 S","COc1ccc(cc1)N1CSCC1=O;COc1ccc(cc1)N2CSCC2=O;COc1ccc(cc1)N2CSCC2=O","InChI=1S/C10H11NO2S/c1-13-9-4-2-8(3-5-9)11-7-14-6-10(11)12/h2-5H,6-7H2,1H3","","2025-09-30","2026-02-13","3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","2026-02-18"],["JPF","6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine","C21 H21 N7 S","Cc1cc(ccc1)Sc1nc(nc2[NH]cnc12)N1CCN(CC1)c1ccccn1;Cc1cccc(Sc2nc(nc3[nH]cnc23)N4CCN(CC4)c5ccccn5)c1;Cc1cccc(c1)Sc2c3c([nH]cn3)nc(n2)N4CCN(CC4)c5ccccn5","InChI=1S/C21H21N7S/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)","","2022-02-01","2022-10-07","6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine","2022-10-12"],["JPG","1-(2-phenoxyphenyl)ethan-1-one","C14 H12 O2","c2cc(Oc1c(C(C)=O)cccc1)ccc2;CC(=O)c1ccccc1Oc2ccccc2;CC(=O)c1ccccc1Oc2ccccc2","InChI=1S/C14H12O2/c1-11(15)13-9-5-6-10-14(13)16-12-7-3-2-4-8-12/h2-10H,1H3","","2018-09-12","2018-10-05","1-(2-phenoxyphenyl)ethan-1-one","2018-10-10"],["JPH","2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one","C17 H17 N5 O3","CC1=CC(=O)N=C(CCn2cc(nn2)c3ccc4OCCOc4c3)N1;CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4","InChI=1S/C17H17N5O3/c1-11-8-17(23)19-16(18-11)4-5-22-10-13(20-21-22)12-2-3-14-15(9-12)25-7-6-24-14/h2-3,8-10H,4-7H2,1H3,(H,18,19,23)","","2019-03-14","2020-02-14","2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one","2020-02-19"],["A1CXE","(1R)-3-(3,4-dichlorophenyl)-1lambda~4~,3-thiazolidine-1,4-dione","C9 H7 Cl2 N O2 S","O=S1CC(=O)N(C1)c1cc(Cl)c(Cl)cc1;Clc1ccc(cc1Cl)N2C[S](=O)CC2=O;c1cc(c(cc1N2CS(=O)CC2=O)Cl)Cl","InChI=1S/C9H7Cl2NO2S/c10-7-2-1-6(3-8(7)11)12-5-15(14)4-9(12)13/h1-3H,4-5H2/t15-/m1/s1","","2025-10-02","2026-02-13","(1R)-3-(3,4-dichlorophenyl)-1lambda~4~,3-thiazolidine-1,4-dione","2026-02-18"],["JPI","(3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol","C40 H80 O3","C[CH](CCCC[CH](C)CCC[CH](C)CC[CH]1[CH](C)[CH](O)C[CH](O)C1(C)C)CCC[CH](C)CCC[CH](C)CCCC(C)(C)O;CC1C(CC(C(C1CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)(C)O)(C)C)O)O","InChI=1S/C40H80O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-39(7,8)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)37(41)29-38(42)40(36,9)10/h30-38,41-43H,11-29H2,1-10H3/t30-,31+,32-,33-,34-,35+,36+,37-,38-/m0/s1","","2022-05-06","2022-08-22","(3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol","2022-07-13"],["JPJ","2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL","C20 H16 Cl2 O2","Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCc2ccccc2;Oc1cc(CCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl;c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl","InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2","","2007-01-31","2011-06-04","2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol",""],["A1CXF","(3S)-N-[(3-{[(1S)-2-anilino-1-cyclohexyl-2-oxoethyl]carbamoyl}phenyl)methyl]-2,2-dimethylthiomorpholine-3-carboxamide","C29 H38 N4 O3 S","CC1(C)SCCNC1C(=O)NCc1cccc(c1)C(=O)NC(C(=O)Nc1ccccc1)C1CCCCC1;CC1(C)SCCN[CH]1C(=O)NCc2cccc(c2)C(=O)N[CH](C3CCCCC3)C(=O)Nc4ccccc4;CC1(C(NCCS1)C(=O)NCc2cccc(c2)C(=O)NC(C3CCCCC3)C(=O)Nc4ccccc4)C","InChI=1S/C29H38N4O3S/c1-29(2)25(30-16-17-37-29)28(36)31-19-20-10-9-13-22(18-20)26(34)33-24(21-11-5-3-6-12-21)27(35)32-23-14-7-4-8-15-23/h4,7-10,13-15,18,21,24-25,30H,3,5-6,11-12,16-17,19H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t24-,25-/m0/s1","","2025-10-02","2025-10-10","(3S)-N-[(3-{[(1S)-2-anilino-1-cyclohexyl-2-oxoethyl]carbamoyl}phenyl)methyl]-2,2-dimethylthiomorpholine-3-carboxamide","2025-10-15"],["JPK","2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide","C21 H24 N4 O3","Cc1cccc(CC(=O)NCc2cc(O)n3nc(cc3n2)C4CCOCC4)c1;Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O","InChI=1S/C21H24N4O3/c1-14-3-2-4-15(9-14)10-20(26)22-13-17-11-21(27)25-19(23-17)12-18(24-25)16-5-7-28-8-6-16/h2-4,9,11-12,16,27H,5-8,10,13H2,1H3,(H,22,26)","","2019-03-15","2020-02-14","2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide","2020-02-19"],["A1CXG","1-phenyl-1H-imidazole-4-carboxylic acid","C10 H8 N2 O2","O=C(O)c1cn(cn1)c1ccccc1;OC(=O)c1cn(cn1)c2ccccc2;c1ccc(cc1)n2cc(nc2)C(=O)O","InChI=1S/C10H8N2O2/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)","","2025-10-02","2026-02-13","1-phenyl-1H-imidazole-4-carboxylic acid","2026-02-18"],["JPL","5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol","C19 H20 Cl2 O2","c3(O)c(Oc1c(Cl)cc(cc1)Cl)ccc(CC2CCCCC2)c3;Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl;c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl","InChI=1S/C19H20Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h6-9,11-13,22H,1-5,10H2","","2008-12-30","2015-05-19","5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol",""],["A1CXR","(2R)-3-methyl-2-{[(6P)-6-(thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol","C15 H18 N4 O S","CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1cccs1;CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3sccc3;CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cccs3","InChI=1S/C15H18N4OS/c1-9(2)12(7-20)19-15-10-6-11(13-4-3-5-21-13)18-14(10)16-8-17-15/h3-6,8-9,12,20H,7H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1","","2025-10-09","2026-01-23","(2R)-3-methyl-2-{[(6P)-6-(thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol","2026-01-28"],["A1CXU","(4P)-4-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile","C16 H19 N7 O","Cn1ncc(c2[NH]c3ncnc(NC(CO)C(C)C)c3c2)c1C#N;CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3cnn(C)c3C#N;CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cnn(c3C#N)C","InChI=1S/C16H19N7O/c1-9(2)13(7-24)22-16-10-4-12(21-15(10)18-8-19-16)11-6-20-23(3)14(11)5-17/h4,6,8-9,13,24H,7H2,1-3H3,(H2,18,19,21,22)/t13-/m0/s1","","2025-10-09","2026-01-23","(4P)-4-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile","2026-01-28"],["JPM","5-benzyl-2-(2,4-dichlorophenoxy)phenol","C19 H14 Cl2 O2","Clc3cc(Cl)ccc3Oc1ccc(cc1O)Cc2ccccc2;Oc1cc(Cc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl;c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl","InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2","","2008-12-30","2011-06-04","5-benzyl-2-(2,4-dichlorophenoxy)phenol",""],["A1CXV","(2R)-3-methyl-2-{[(6P)-6-(1,2-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol","C14 H17 N5 O S","CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1ccns1;CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3sncc3;CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3ccns3","InChI=1S/C14H17N5OS/c1-8(2)11(6-20)19-14-9-5-10(12-3-4-17-21-12)18-13(9)15-7-16-14/h3-5,7-8,11,20H,6H2,1-2H3,(H2,15,16,18,19)/t11-/m0/s1","","2025-10-09","2026-01-23","(2R)-3-methyl-2-{[(6P)-6-(1,2-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol","2026-01-28"],["JPN","2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL","C21 H18 Cl2 O2","Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCCc2ccccc2;Oc1cc(CCCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl;c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl","InChI=1S/C21H18Cl2O2/c22-17-10-12-20(18(23)14-17)25-21-11-9-16(13-19(21)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,24H,4,7-8H2","","2007-01-19","2011-06-04","2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol",""],["A1CXY","(2R)-3-methyl-2-{[6-(pyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol","C15 H18 N6 O","CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1cncnc1;CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3cncnc3;CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cncnc3","InChI=1S/C15H18N6O/c1-9(2)13(6-22)21-15-11-3-12(10-4-16-7-17-5-10)20-14(11)18-8-19-15/h3-5,7-9,13,22H,6H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1","","2025-10-09","2026-01-23","(2R)-3-methyl-2-{[6-(pyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol","2026-01-28"],["JPO","[(2R,3S,4R,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(2-azanylethanoyl)sulfamate","C12 H16 Cl N7 O7 S","NCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(Cl)nc23;c1nc2c(nc(nc2n1C3C(C(C(O3)COS(=O)(=O)NC(=O)CN)O)O)Cl)N","InChI=1S/C12H16ClN7O7S/c13-12-17-9(15)6-10(18-12)20(3-16-6)11-8(23)7(22)4(27-11)2-26-28(24,25)19-5(21)1-14/h3-4,7-8,11,22-23H,1-2,14H2,(H,19,21)(H2,15,17,18)/t4-,7-,8-,11-/m1/s1","","2022-08-25","2023-01-27","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(2-azanylethanoyl)sulfamate","2023-02-01"],["A1CXZ","(3P)-3-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thiophene-2-carbonitrile","C16 H17 N5 O S","CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1ccsc1C#N;CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3ccsc3C#N;CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3ccsc3C#N","InChI=1S/C16H17N5OS/c1-9(2)13(7-22)21-16-11-5-12(20-15(11)18-8-19-16)10-3-4-23-14(10)6-17/h3-5,8-9,13,22H,7H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1","","2025-10-09","2026-01-23","(3P)-3-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thiophene-2-carbonitrile","2026-01-28"],["JPP","Piperacillin (Open Form)","C23 H29 N5 O7 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3;CCN1CCN(C(=O)N[CH](C(=O)N[CH](C=O)[CH]2N[CH](C(O)=O)C(C)(C)S2)c3ccccc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O","InChI=1S/C23H29N5O7S/c1-4-27-10-11-28(20(32)19(27)31)22(35)25-15(13-8-6-5-7-9-13)17(30)24-14(12-29)18-26-16(21(33)34)23(2,3)36-18/h5-9,12,14-16,18,26H,4,10-11H2,1-3H3,(H,24,30)(H,25,35)(H,33,34)/t14-,15-,16+,18-/m1/s1","","2013-07-18","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2013-11-06"],["A1CYA","(2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide","C9 H10 N2 O2","CC(O)C(=O)/N=Cc1ccccn1;C[CH](O)C(=O)N=Cc1ccccn1;CC(C(=O)N=Cc1ccccn1)O","InChI=1S/C9H10N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-7,12H,1H3/b11-6-/t7-/m1/s1","","2025-10-10","2025-12-05","(2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide","2025-12-10"],["JPQ","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide","C9 H12 N2 O3","CC(C)=CC(=O)N[CH]1CC(=O)NC1=O;CC(=CC(=O)NC1CC(=O)NC1=O)C","InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1","","2019-03-15","2019-08-02","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide","2019-08-07"],["A1CYB","3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole","C11 H15 N3 O","CCc1noc(C)c1Cn1ccc(C)n1;CCc1noc(C)c1Cn2ccc(C)n2;CCc1c(c(on1)C)Cn2ccc(n2)C","InChI=1S/C11H15N3O/c1-4-11-10(9(3)15-13-11)7-14-6-5-8(2)12-14/h5-6H,4,7H2,1-3H3","","2025-10-10","2025-12-05","3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole","2025-12-10"],["JPR","1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea","C18 H24 Cl N3 O2 S","Clc1c(ccc(c1)NC(=O)NCCSCc2oc(cc2)CN(C)C)C;CN(C)Cc1oc(CSCCNC(=O)Nc2ccc(C)c(Cl)c2)cc1;Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C","InChI=1S/C18H24ClN3O2S/c1-13-4-5-14(10-17(13)19)21-18(23)20-8-9-25-12-16-7-6-15(24-16)11-22(2)3/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,23)","","2007-09-11","2011-06-04","1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}urea",""],["A1CYE","methyl (3R,4R)-4-(3-methoxyphenyl)oxane-3-carboxylate","C14 H18 O4","COC(=O)C1COCCC1c1cccc(OC)c1;COC(=O)[CH]1COCC[CH]1c2cccc(OC)c2;COc1cccc(c1)C2CCOCC2C(=O)OC","InChI=1S/C14H18O4/c1-16-11-5-3-4-10(8-11)12-6-7-18-9-13(12)14(15)17-2/h3-5,8,12-13H,6-7,9H2,1-2H3/t12-,13-/m0/s1","","2025-10-10","2025-12-05","methyl (3R,4R)-4-(3-methoxyphenyl)oxane-3-carboxylate","2025-12-10"],["JPS","(4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID","C14 H18 O5 S","O=C(O)C2(O)c1cc(sc1C(O)C(O)C2)CCC3CC3;O[CH]1C[C](O)(C(O)=O)c2cc(CCC3CC3)sc2[CH]1O;c1c(sc2c1C(CC(C2O)O)(C(=O)O)O)CCC3CC3","InChI=1S/C14H18O5S/c15-10-6-14(19,13(17)18)9-5-8(4-3-7-1-2-7)20-12(9)11(10)16/h5,7,10-11,15-16,19H,1-4,6H2,(H,17,18)/t10-,11+,14-/m1/s1","","2010-04-30","2011-06-04","(4R,6R,7S)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid",""],["JPT","6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one","C11 H10 O4 S","OCC1=CC(=O)C(=C(Cc2cscc2)O1)O;c1cscc1CC2=C(C(=O)C=C(O2)CO)O","InChI=1S/C11H10O4S/c12-5-8-4-9(13)11(14)10(15-8)3-7-1-2-16-6-7/h1-2,4,6,12,14H,3,5H2","","2019-03-15","2024-09-27","6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one","2020-01-22"],["A1CYF","3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline","C9 H9 N3 O","Nc1cccc(c1)c1nc(C)on1;Cc1onc(n1)c2cccc(N)c2;Cc1nc(no1)c2cccc(c2)N","InChI=1S/C9H9N3O/c1-6-11-9(12-13-6)7-3-2-4-8(10)5-7/h2-5H,10H2,1H3","","2025-10-10","2025-12-05","3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline","2025-12-10"],["JPU","(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine","C22 H26 N2 O4","COc1ccc(cc1OC)C1=NN=C(C)C(CC)c2cc(OC)c(cc21)OC;CC[CH]1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C;CCC1c2cc(c(cc2C(=NN=C1C)c3ccc(c(c3)OC)OC)OC)OC","InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3","","2022-02-01","2022-10-07","(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine","2022-10-12"],["A1CYJ","(4M)-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-[(8R)-pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine","C22 H21 F3 N8","FC(F)(F)c1cc(ccc1N1CCN(C)CC1)Nc1nccc(n1)c1cnn2ncccc12;CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2C(F)(F)F;CN1CCN(CC1)c2ccc(cc2C(F)(F)F)Nc3nccc(n3)c4cnn5c4cccn5","InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)","","2025-10-13","2026-03-06","(4M)-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-[(8R)-pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine","2026-03-11"],["A1CYL","N-(3-{[(6P)-2-(methanesulfonyl)-6-(1-methyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide","C18 H18 N6 O3 S","Cn1cc(cn1)c1nc(nc(Nc2cccc(NC(=O)C=C)c2)c1)S(C)(=O)=O;Cn1cc(cn1)c2cc(Nc3cccc(NC(=O)C=C)c3)nc(n2)[S](C)(=O)=O;Cn1cc(cn1)c2cc(nc(n2)S(=O)(=O)C)Nc3cccc(c3)NC(=O)C=C","InChI=1S/C18H18N6O3S/c1-4-17(25)21-14-7-5-6-13(8-14)20-16-9-15(12-10-19-24(2)11-12)22-18(23-16)28(3,26)27/h4-11H,1H2,2-3H3,(H,21,25)(H,20,22,23)","","2025-10-14","2026-03-13","N-(3-{[(6P)-2-(methanesulfonyl)-6-(1-methyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide","2026-03-18"],["JPV","(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol","C14 H16 N2 O","c21nc3C4C(O)CNC(Cc3c1cccc2)C4;O[CH]1CN[CH]2C[CH]1c3[nH]c4ccccc4c3C2;c1ccc2c(c1)c3c([nH]2)C4CC(C3)NCC4O","InChI=1S/C14H16N2O/c17-13-7-15-8-5-10-9-3-1-2-4-12(9)16-14(10)11(13)6-8/h1-4,8,11,13,15-17H,5-7H2/t8-,11+,13-/m0/s1","","2018-09-12","2018-10-05","(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol","2018-10-10"],["JPW","(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate","C13 H21 N3 O4","N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O;C1CC(CCC1COC(=O)NC2CCC(=O)NC2=O)N","InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1","","2019-03-15","2019-08-02","(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate","2019-08-07"],["A1CYM","N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide","C17 H17 N5 O3 S2","O=C(NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1)C1CCCN1;Nc1ncnc2cc(sc12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4;c1cc(cc(c1)S(=O)(=O)NC(=O)C2CCCN2)c3cc4c(s3)c(ncn4)N","InChI=1S/C17H17N5O3S2/c18-16-15-13(20-9-21-16)8-14(26-15)10-3-1-4-11(7-10)27(24,25)22-17(23)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2,(H,22,23)(H2,18,20,21)/t12-/m0/s1","","2025-10-14","2025-10-17","N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide","2025-10-22"],["A1CYY","2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline","C18 H17 F2 N3","FC1(F)CC1c1ccccc1NCc1ccc2cnn(C)c2c1;Cn1ncc2ccc(CNc3ccccc3[CH]4CC4(F)F)cc12;Cn1c2cc(ccc2cn1)CNc3ccccc3C4CC4(F)F","InChI=1S/C18H17F2N3/c1-23-17-8-12(6-7-13(17)11-22-23)10-21-16-5-3-2-4-14(16)15-9-18(15,19)20/h2-8,11,15,21H,9-10H2,1H3/t15-/m1/s1","","2025-10-17","2025-11-28","2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline","2025-12-03"],["JPX","[(2~{S})-3-[[(2~{S})-3-[(2~{S},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propanoylamino)oxan-2-yl]oxy-1-oxidanylidene-1-(pentadecylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-octanoyloxy-propyl] decanoate","C48 H91 N2 O15 P","CCCCCCCCCCCCCCCNC(=O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(=O)CC)O[P](O)(=O)OC[CH](COC(=O)CCCCCCCCC)OC(=O)CCCCCCC;CCCCCCCCCCCCCCCNC(=O)C(COC1C(C(C(C(O1)CO)O)O)NC(=O)CC)OP(=O)(O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC","InChI=1S/C48H91N2O15P/c1-5-9-12-15-17-18-19-20-21-22-24-27-30-33-49-47(57)40(37-61-48-44(50-41(52)8-4)46(56)45(55)39(34-51)64-48)65-66(58,59)62-36-38(63-43(54)32-29-25-14-11-7-3)35-60-42(53)31-28-26-23-16-13-10-6-2/h38-40,44-46,48,51,55-56H,5-37H2,1-4H3,(H,49,57)(H,50,52)(H,58,59)/t38-,39-,40-,44-,45+,46-,48-/m0/s1","","2022-05-06","2022-08-22","[(2~{S})-3-[[(2~{S})-3-[(2~{S},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propanoylamino)oxan-2-yl]oxy-1-oxidanylidene-1-(pentadecylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-octanoyloxy-propyl] decanoate","2022-07-13"],["JPY","N-(pyren-1-ylmethyl)acetamide","C19 H15 N O","O=C(NCc4ccc2ccc1cccc3c1c2c4cc3)C;CC(=O)NCc1ccc2ccc3cccc4ccc1c2c34;CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4","InChI=1S/C19H15NO/c1-12(21)20-11-16-8-7-15-6-5-13-3-2-4-14-9-10-17(16)19(15)18(13)14/h2-10H,11H2,1H3,(H,20,21)","","2015-01-13","2024-09-27","N-(pyren-1-ylmethyl)acetamide","2015-04-01"],["A1CYZ","5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine","C13 H19 N6 O8 P S","SCC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;N[CH](CS)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CS)N)O)O)N","InChI=1S/C13H19N6O8PS/c14-5(2-29)13(22)27-28(23,24)25-1-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21,29H,1-2,14H2,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1","Cysteinyl-AMP","2025-10-20","2025-11-03","5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine","2025-10-29"],["A1CZ3","6-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methyl-4-[(propan-2-yl)amino]pyridine-3-carboxamide","C17 H23 N7 O","CC(C)Nc1cc(ncc1C(=O)NC)Nc1cc(N)nc(n1)C1CC1;CNC(=O)c1cnc(Nc2cc(N)nc(n2)C3CC3)cc1NC(C)C;CC(C)Nc1cc(ncc1C(=O)NC)Nc2cc(nc(n2)C3CC3)N","InChI=1S/C17H23N7O/c1-9(2)21-12-6-14(20-8-11(12)17(25)19-3)23-15-7-13(18)22-16(24-15)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,19,25)(H4,18,20,21,22,23,24)","","2025-11-06","2026-03-13","6-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methyl-4-[(propan-2-yl)amino]pyridine-3-carboxamide","2026-03-18"],["JPZ","quinazolin-4(1H)-one","C8 H6 N2 O","O=C2N=CNc1ccccc12;O=C1N=CNc2ccccc12;c1ccc2c(c1)C(=O)N=CN2","InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)","","2010-07-13","2011-06-04","quinazolin-4(1H)-one",""],["A1CZD","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (11E,14E,16E)-icosa-11,14,16-trienethioate (non-preferred name)","C41 H68 N7 O17 P3 S","CCCC=CC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O;CCCC=CC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCC=CC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h6-9,11-12,28-30,34-36,40,51-52H,4-5,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b7-6+,9-8+,12-11+/t30-,34-,35-,36+,40-/m1/s1","","2025-10-27","2025-11-21","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (11E,14E,16E)-icosa-11,14,16-trienethioate (non-preferred name)","2025-11-26"],["JQ0","methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate","C15 H24 N2 O3","COC(=O)CN1[CH](CC(C)C)C=C[CH]2CCN[CH]2C1=O;CC(C)CC1C=CC2CCNC2C(=O)N1CC(=O)OC","InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1","","2023-08-08","2024-09-27","methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate","2023-08-16"],["A1CZQ","[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl](3,5,7-trimethyl-1H-indol-2-yl)methanone","C21 H26 N6 O","O=C(c1[NH]c2c(C)cc(C)cc2c1C)N1CCN(CC1)c1cc(C)nc(N)n1;Cc1cc(C)c2[nH]c(c(C)c2c1)C(=O)N3CCN(CC3)c4cc(C)nc(N)n4;Cc1cc(c2c(c1)c(c([nH]2)C(=O)N3CCN(CC3)c4cc(nc(n4)N)C)C)C","InChI=1S/C21H26N6O/c1-12-9-13(2)18-16(10-12)15(4)19(25-18)20(28)27-7-5-26(6-8-27)17-11-14(3)23-21(22)24-17/h9-11,25H,5-8H2,1-4H3,(H2,22,23,24)","","2025-11-03","2026-01-23","[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl](3,5,7-trimethyl-1H-indol-2-yl)methanone","2026-01-28"],["JQ1","(6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium","C23 H26 Cl N4 O2 S","O=C(OC(C)(C)C)CC3N=C(c1c(sc(c1C)C)[n+]2c3nnc2C)c4ccc(Cl)cc4;Cc1sc2c(c1C)C(=N[CH](CC(=O)OC(C)(C)C)c3[nH]nc(C)[n+]23)c4ccc(Cl)cc4;Cc1c(sc-2c1C(=NC(c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C","InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/p+1/t17-/m0/s1","","2010-05-10","2011-06-04","(6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium",""],["A1CZS","N-({[4-({N-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-L-alanyl-L-alanyl}amino)phenyl]methoxy}carbonyl)-N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","C60 H91 N9 O14","CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](C)[CH](O)c1ccccc1)OC)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[CH](C)NC(=O)[CH](C)NC(=O)CCN2C(=O)CCC2=O)cc1)C(C)C;O=C1CCC(=O)N1CCC(=O)NC(C)C(=O)NC(C)C(=O)Nc1ccc(cc1)COC(=O)N(C)C(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)CC)C(OC)CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](C)[CH](O)c2ccccc2)OC)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C(=O)OCc3ccc(NC(=O)[CH](C)NC(=O)[CH](C)NC(=O)CCN4C(=O)CCC4=O)cc3)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(c2ccccc2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCc3ccc(cc3)NC(=O)C(C)NC(=O)C(C)NC(=O)CCN4C(=O)CCC4=O","InChI=1S/C60H91N9O14/c1-15-36(6)52(45(81-13)32-49(73)68-30-19-22-44(68)54(82-14)37(7)55(75)62-38(8)53(74)42-20-17-16-18-21-42)66(11)59(79)50(34(2)3)65-58(78)51(35(4)5)67(12)60(80)83-33-41-23-25-43(26-24-41)64-57(77)40(10)63-56(76)39(9)61-46(70)29-31-69-47(71)27-28-48(69)72/h16-18,20-21,23-26,34-40,44-45,50-54,74H,15,19,22,27-33H2,1-14H3,(H,61,70)(H,62,75)(H,63,76)(H,64,77)(H,65,78)/t36-,37+,38+,39-,40-,44-,45+,50-,51-,52-,53+,54+/m0/s1;InChI=1S/C60H91N9O14/c1-15-36(6)52(45(81-13)32-49(73)68-30-19-22-44(68)54(82-14)37(7)55(75)62-38(8)53(74)42-20-17-16-18-21-42)66(11)59(79)50(34(2)3)65-58(78)51(35(4)5)67(12)60(80)83-33-41-23-25-43(26-24-41)64-57(77)40(10)63-56(76)39(9)61-46(70)29-31-69-47(71)27-28-48(69)72/h16-18,20-21,23-26,34-40,44-45,50-54,74H,15,19,22,27-33H2,1-14H3,(H,61,70)(H,62,75)(H,63,76)(H,64,77)(H,65,78)/t36-,37+,38+,39-,40-,44-,45+,50-,51-,52-,53+,54+/m0/s1","","2025-11-03","2025-12-19","N-({[4-({N-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-L-alanyl-L-alanyl}amino)phenyl]methoxy}carbonyl)-N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2025-12-24"],["JQ2","3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C34 H38 N4 O6","CCC1=C(C)C2=CC3=NC(=Cc4[nH]c(C=C5NC(=O)C(=C5CC)C)c(C)c4CCC(O)=O)C(=C3CCN2C1=O)CCC(O)=O;CCC1=C(C2=CC3=NC(=Cc4c(c(c([nH]4)C=C5C(=C(C(=O)N5)C)CC)C)CCC(=O)O)C(=C3CCN2C1=O)CCC(=O)O)C","InChI=1S/C34H38N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h14-16,35H,6-13H2,1-5H3,(H,37,43)(H,39,40)(H,41,42)/b26-14-,28-15-","","2019-03-15","2020-03-27","3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2020-04-01"],["A1CZV","(7M)-1',8-dimethyl-7-(2-methylpyridin-4-yl)spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one","C21 H24 N2 O2","Cc1nccc(c1)c1ccc2c(OC3(CCN(C)CC3)CC2=O)c1C;CN1CCC2(CC1)CC(=O)c3ccc(c(C)c3O2)c4ccnc(C)c4;Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)C)CC3=O","InChI=1S/C21H24N2O2/c1-14-12-16(6-9-22-14)17-4-5-18-19(24)13-21(25-20(18)15(17)2)7-10-23(3)11-8-21/h4-6,9,12H,7-8,10-11,13H2,1-3H3","","2025-11-04","2026-02-13","(7M)-1',8-dimethyl-7-(2-methylpyridin-4-yl)spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one","2026-02-18"],["JQ3","5-(cyclopentylmethoxy)pyrimidin-2-amine","C10 H15 N3 O","Nc1ncc(OCC2CCCC2)cn1;Nc1ncc(OCC2CCCC2)cn1;c1c(cnc(n1)N)OCC2CCCC2","InChI=1S/C10H15N3O/c11-10-12-5-9(6-13-10)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,11,12,13)","","2022-02-01","2022-10-07","5-(cyclopentylmethoxy)pyrimidin-2-amine","2022-10-12"],["A1CZY","3-({5-chloro-2-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}amino)thiophene-2-carboxamide","C21 H22 Cl F2 N7 O2 S","CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccsc3C(N)=O)c(Cl)cn2)c(OC(F)F)c1;CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccsc4C(N)=O)n3)c(OC(F)F)c2;CN1CCN(CC1)c2ccc(c(c2)OC(F)F)Nc3ncc(c(n3)Nc4ccsc4C(=O)N)Cl","InChI=1S/C21H22ClF2N7O2S/c1-30-5-7-31(8-6-30)12-2-3-14(16(10-12)33-20(23)24)28-21-26-11-13(22)19(29-21)27-15-4-9-34-17(15)18(25)32/h2-4,9-11,20H,5-8H2,1H3,(H2,25,32)(H2,26,27,28,29)","OICR16422","2025-11-05","2026-04-03","3-({5-chloro-2-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}amino)thiophene-2-carboxamide","2026-04-08"],["JQ4","(1S,3S,4R)-3-[(1S)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol","C11 H21 N O4 S","C21(C(C(CC)O)N(S(C)(=O)=O)C(CC1)CC2)O;CC[CH](O)[CH]1N(C2CCC1(O)CC2)[S](C)(=O)=O;CCC(C1C2(CCC(N1S(=O)(=O)C)CC2)O)O","InChI=1S/C11H21NO4S/c1-3-9(13)10-11(14)6-4-8(5-7-11)12(10)17(2,15)16/h8-10,13-14H,3-7H2,1-2H3/t8-,9-,10-,11-/m0/s1","","2018-09-12","2018-10-05","(1S,3S,4R)-3-[(1S)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol","2018-10-10"],["JQ5","4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid","C6 H11 O6 P","CCO[P](O)(=O)C(=O)CCC(O)=O;CCOP(=O)(C(=O)CCC(=O)O)O","InChI=1S/C6H11O6P/c1-2-12-13(10,11)6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)(H,10,11)","","2019-03-16","2019-09-06","4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid","2019-09-11"],["A1CZZ","N~2~-methyl-N~4~-{(5P)-5-(1-methyl-1H-pyrazol-4-yl)-4-[(propan-2-yl)oxy]pyridin-2-yl}pyrimidine-2,4-diamine","C17 H21 N7 O","Cn1cc(cn1)c1cnc(Nc2ccnc(NC)n2)cc1OC(C)C;CNc1nccc(Nc2cc(OC(C)C)c(cn2)c3cnn(C)c3)n1;CC(C)Oc1cc(ncc1c2cnn(c2)C)Nc3ccnc(n3)NC","InChI=1S/C17H21N7O/c1-11(2)25-14-7-16(22-15-5-6-19-17(18-3)23-15)20-9-13(14)12-8-21-24(4)10-12/h5-11H,1-4H3,(H2,18,19,20,22,23)","","2025-11-05","2026-03-13","N~2~-methyl-N~4~-{(5P)-5-(1-methyl-1H-pyrazol-4-yl)-4-[(propan-2-yl)oxy]pyridin-2-yl}pyrimidine-2,4-diamine","2026-03-18"],["A1D46","3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one","C21 H20 N4 O2","O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4;c1cc2c(c(c1)OC3CCNCC3)C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N2","InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26)","(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one","2023-12-21","2024-06-07","3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one","2024-06-12"],["JQ6","[(2~{S})-2-acetyloxy-3-[[(2~{S})-3-[(2~{R},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propyl] ethanoate","C39 H73 N2 O15 P","CCCCCCCCCCCCCCCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O[P](O)(=O)OC[CH](COC(C)=O)OC(C)=O)C(=O)NCCCCC;CCCCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC(C(=O)NCCCCC)OP(=O)(O)OCC(COC(=O)C)OC(=O)C)CO)O)O","InChI=1S/C39H73N2O15P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34(45)41-35-37(47)36(46)32(25-42)55-39(35)52-28-33(38(48)40-24-22-8-6-2)56-57(49,50)53-27-31(54-30(4)44)26-51-29(3)43/h31-33,35-37,39,42,46-47H,5-28H2,1-4H3,(H,40,48)(H,41,45)(H,49,50)/t31-,32-,33-,35-,36+,37-,39+/m0/s1","","2022-05-06","2022-08-22","[(2~{S})-2-acetyloxy-3-[[(2~{S})-3-[(2~{R},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propyl] ethanoate","2022-07-13"],["JQ7","2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide","C10 H12 N2 O4 S","c1cccc2c1C(CN(CC(N)=O)S2(=O)=O)O;NC(=O)CN1C[CH](O)c2ccccc2[S]1(=O)=O;c1ccc2c(c1)C(CN(S2(=O)=O)CC(=O)N)O","InChI=1S/C10H12N2O4S/c11-10(14)6-12-5-8(13)7-3-1-2-4-9(7)17(12,15)16/h1-4,8,13H,5-6H2,(H2,11,14)/t8-/m0/s1","","2018-09-12","2018-10-05","2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide","2018-10-10"],["A1D47","(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one","C21 H19 N3 O3","O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4;c1cc2c(c(c1)OC3CCOCC3)C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N2","InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10-","(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one","2023-12-21","2024-06-07","(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one","2024-06-12"],["A1D48","(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one","C16 H11 N3 O2","Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12;c1cc2c(c(c1)O)C(=Cc3ccc4c(c3)nc[nH]4)C(=O)N2","InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6-","(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one","2023-12-21","2024-06-07","(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one","2024-06-12"],["JQ8","phenylpropiolic acid","C9 H6 O2","OC(=O)C#Cc1ccccc1;c1ccc(cc1)C#CC(=O)O","InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)","","2019-03-18","2019-08-23","3-phenylprop-2-ynoic acid","2019-08-28"],["A1D49","(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one","C19 H20 N4 O2","CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3;CCCOc1ccc(cc1)C2CNC(=O)N2c3ccc4c(c3)[nH]cn4","InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1","PQ912","2023-12-22","2024-06-07","(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one","2024-06-12"],["JQ9","8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione","C20 H24 N4 O4","CCN1C(=O)N(CC)c2nc(C=Cc3ccc(OC)c(OC)c3)n(C)c2C1=O;CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC","InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+","istradefylline","2022-08-25","2023-03-17","8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione","2023-03-22"],["JQA","(4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one","C16 H20 N2 O2","N1CC4C2C(CCC1C2)N(Cc3ccccc3)C(=O)O4;O=C1O[CH]2CN[CH]3CC[CH]([CH]2C3)N1Cc4ccccc4;c1ccc(cc1)CN2C3CCC4CC3C(CN4)OC2=O","InChI=1S/C16H20N2O2/c19-16-18(10-11-4-2-1-3-5-11)14-7-6-12-8-13(14)15(20-16)9-17-12/h1-5,12-15,17H,6-10H2/t12-,13-,14-,15+/m1/s1","","2018-09-12","2018-10-05","(4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one","2018-10-10"],["A1D5B","methyl (2~{S})-2,6-bis(azanyl)hexanoate","C7 H16 N2 O2","COC(=O)[CH](N)CCCCN;COC(=O)C(CCCCN)N","InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1","Methyl lysinate","2024-01-02","2024-09-27","methyl (2~{S})-2,6-bis(azanyl)hexanoate","2024-07-03"],["JQB","5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C18 H14 N6 O","Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4O)c3c2)c1C#N;c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N","InChI=1S/C18H14N6O/c19-9-14-16(22-23-17(14)20)12-4-3-11-5-7-24(15(11)8-12)10-13-2-1-6-21-18(13)25/h1-8H,10H2,(H,21,25)(H3,20,22,23)","","2019-03-19","2019-09-13","5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["A1D5E","(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid","C8 H15 N3 O4","NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)OC(=O)NCCN","InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1","4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)-","2024-01-04","2024-09-27","(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid","2024-07-03"],["JQC","4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide","C20 H18 Cl N5 O","O=C(Nc1ccc2[NH]c(nc2c1)c1cc(C)cc(C)c1)c1c(Cl)cnn1C;Cn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4cc(C)cc(C)c4;Cc1cc(cc(c1)c2[nH]c3ccc(cc3n2)NC(=O)c4c(cnn4C)Cl)C","InChI=1S/C20H18ClN5O/c1-11-6-12(2)8-13(7-11)19-24-16-5-4-14(9-17(16)25-19)23-20(27)18-15(21)10-22-26(18)3/h4-10H,1-3H3,(H,23,27)(H,24,25)","","2022-02-01","2022-10-07","4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide","2022-10-12"],["A1D5F","4-oxidanylbutyl ~{N}-[4-[(4-aminophenyl)methyl]phenyl]carbamate","C18 H22 N2 O3","Nc1ccc(Cc2ccc(NC(=O)OCCCCO)cc2)cc1;c1cc(ccc1Cc2ccc(cc2)NC(=O)OCCCCO)N","InChI=1S/C18H22N2O3/c19-16-7-3-14(4-8-16)13-15-5-9-17(10-6-15)20-18(22)23-12-2-1-11-21/h3-10,21H,1-2,11-13,19H2,(H,20,22)","","2024-01-10","2025-01-10","4-oxidanylbutyl ~{N}-[4-[(4-aminophenyl)methyl]phenyl]carbamate","2025-01-15"],["JQD","(6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one","C14 H16 N2 O3","C2N4N(C3c1ccc(OC)cc1OCC23)CCC4=O;COc1ccc2[CH]3[CH](COc2c1)CN4N3CCC4=O;COc1ccc2c(c1)OCC3C2N4CCC(=O)N4C3","InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14-/m1/s1","","2018-09-12","2018-10-05","(6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one","2018-10-10"],["JQE","2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid","C10 H6 Cl2 O2 S","OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12;c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O","InChI=1S/C10H6Cl2O2S/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(12)15-8/h1-3H,4H2,(H,13,14)","","2019-03-20","2020-04-03","2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid","2020-04-08"],["JQF","3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE","C19 H19 N3 O2","O=C(Nc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)CC(C)C;CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24)","","2013-06-20","2014-05-12","3-methyl-N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]butanamide","2013-10-30"],["JQG","(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide","C17 H32 N4 O9 P","CC(C)[CH](NC=O)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)=O;CC(C)C(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(=O)O)O)NC=O","InChI=1S/C17H32N4O9P/c1-11(2)13(21-10-22)15(25)20-8-7-18-12(23)5-6-19-16(26)14(24)17(3,4)9-30-31(27,28)29/h10-11,13-14,24H,5-9H2,1-4H3,(H,18,23)(H,19,26)(H,20,25)(H,21,22)(H,27,28,29)/t13-,14-/m0/s1","","2018-09-13","2024-09-27","(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide","2019-11-20"],["JQH","prFMN cofactor and phenylpropiolic acid adduct","C30 H35 N4 O9 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34[N]5[CH](CC(C)(C)c(c1C)c25)C=C4c6ccccc6;Cc1cc2c3c(c1C)C(CC4N3C5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2CC(C(C(COP(=O)(O)O)O)O)O)(C)C","InChI=1S/C30H35N4O9P/c1-15-10-20-24-23(16(15)2)29(3,4)12-18-11-19(17-8-6-5-7-9-17)30(34(18)24)26(31-28(39)32-27(30)38)33(20)13-21(35)25(37)22(36)14-43-44(40,41)42/h5-11,18,21-22,25,35-37H,12-14H2,1-4H3,(H,32,38,39)(H2,40,41,42)/t18-,21+,22-,25+,30+/m1/s1","","2019-03-20","2019-08-23","","2019-08-28"],["A1D5Y","(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol","C19 H24 N2 O S","C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1;CC(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O","InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m0/s1","","2024-02-04","2024-10-04","(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol","2024-10-09"],["JQI","[(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid","C31 H55 B N8 O6","CC(C)C[CH](NC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc1cccc(CCC(=O)C(C)NC(N)=N)c1)B(O)O;B(C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)Cc1cccc(c1)CCC(=O)C(C)NC(=N)N)(O)O","InChI=1S/C31H55BN8O6/c1-20(2)17-27(32(45)46)40-30(44)25(12-5-7-16-34)39-29(43)24(11-4-6-15-33)38-28(42)19-23-10-8-9-22(18-23)13-14-26(41)21(3)37-31(35)36/h8-10,18,20-21,24-25,27,45-46H,4-7,11-17,19,33-34H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H4,35,36,37)/t21?,24-,25-,27-/m0/s1","(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA\nN-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-glucoside","2022-05-06","2024-09-27","[(1~{R})-1-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid","2022-06-22"],["JQJ","Polyoxidovanadate complex","O54 V20","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]1O[V](O[V]2O[V]O2)O[V]3O[V]4O[V]5O[V]6O[V](O[V])O[V]7(O[V]8O[V]O[V](O6)O[V]9O[V](O9)O[V](O8)O[V](O1)(O3)O[V](O4)O7)O5;[O][V]1(O2[V]34(O[V]56(O[V]78(O1[V]91(O7[V]7%10(O8[V]8%11(O7[V]7%12(O8[V]8(O%115)(O6[V]5(O3)(O8[V]3(O7)(O5[V]56(O3[V](O3[V](O%12)(O%10)(O7[V]3(O5)(O3[V]7(O9)(O5[V]2(O1)(O4[V]53(O6)[O])[O])[O])[O])[O])([O])O[V]([O])([O])([O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[V]([O])([O])([O])[O]","InChI=1S/26H2O.28O.20V/h26*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;18*+1;2*+4/p-26","","2023-08-08","2024-01-05","","2024-01-10"],["A1D68","2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine","C14 H12 Cl N3 O S","COc1ccc(cc1)N(C)c2nc(Cl)nc3sccc23;CN(c1ccc(cc1)OC)c2c3ccsc3nc(n2)Cl","InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)12-11-7-8-20-13(11)17-14(15)16-12/h3-8H,1-2H3","","2024-03-29","2024-05-31","2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine","2024-06-05"],["JQK","[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate","C30 H39 N4 O9 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](CCc5ccccc5)CC(C)(C)c(c1C)c24)C(=O)NC(=N3)O;Cc1cc2c3c(c1C)C(CC(N3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C","InChI=1S/C30H39N4O9P/c1-16-12-20-24-23(17(16)2)30(3,4)13-19(11-10-18-8-6-5-7-9-18)34(24)25-27(31-29(39)32-28(25)38)33(20)14-21(35)26(37)22(36)15-43-44(40,41)42/h5-9,12,19,21-22,26,35-37H,10-11,13-15H2,1-4H3,(H2,40,41,42)(H2,31,32,38,39)/t19-,21+,22-,26+/m1/s1","","2019-03-20","2019-08-23","[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate","2019-08-28"],["JQL","1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C24 H24 N6 O2","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCCC1C;C[CH]1CCCN1C(=O)c2cnn(C)c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5;CC1CCCN1C(=O)c2cnn(c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5)C","InChI=1S/C24H24N6O2/c1-16-7-6-11-30(16)24(32)19-14-25-28(2)22(19)23(31)26-18-10-12-29-15-20(27-21(29)13-18)17-8-4-3-5-9-17/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H,26,31)","","2022-02-01","2022-10-07","1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["A1D6E","6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-quinazolin-2-amine","C19 H19 F N4 O","CNc1nc2ccc(F)cc2c(n1)N3CCCc4cc(OC)ccc34;CNc1nc2ccc(cc2c(n1)N3CCCc4c3ccc(c4)OC)F","InChI=1S/C19H19FN4O/c1-21-19-22-16-7-5-13(20)11-15(16)18(23-19)24-9-3-4-12-10-14(25-2)6-8-17(12)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)","","2024-02-28","2025-02-21","6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-quinazolin-2-amine","2025-02-26"],["JQN","5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one","C17 H15 N O2 S","Cc1ccc(SCC(=O)c2ccc3NC(=O)Cc3c2)cc1;Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3","InChI=1S/C17H15NO2S/c1-11-2-5-14(6-3-11)21-10-16(19)12-4-7-15-13(8-12)9-17(20)18-15/h2-8H,9-10H2,1H3,(H,18,20)","","2015-03-08","2015-05-08","5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one","2015-05-13"],["JQO","(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide","C17 H27 F N2 O4 S","CC(C)C[CH](CO)NC(=O)[CH](N[S](=O)(=O)c1ccc(F)cc1)C(C)C;CC(C)CC(CO)NC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F","InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1","","2022-05-07","2024-09-27","(2~{S})-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-~{N}-[(2~{S})-4-methyl-1-oxidanyl-pentan-2-yl]butanamide","2023-05-17"],["JQP","N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine","C26 H27 F N6","c2(nc(Nc1cc(C)cc(C)c1)ncc2)c5c(c3ccc(F)cc3)ncn5C4CCNCC4;Cc1cc(C)cc(Nc2nccc(n2)c3n(cnc3c4ccc(F)cc4)C5CCNCC5)c1;Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C","InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)","","2018-09-17","2019-08-02","N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine","2019-08-07"],["A1D6Q","8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","C30 H18 O10","Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5;c1cc(ccc1C2=CC(=O)c3c(cc(c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(cc(cc6O5)O)O)O)O)O","InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","Amentoflavone","2024-03-08","2024-06-07","8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","2024-06-12"],["A1D6R","~{N}-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide","C20 H13 F3 N4 O2 S","CC(=O)Nc1sc2cccc(Oc3cc(ncn3)c4ccc(cc4)C(F)(F)F)c2n1;CC(=O)Nc1nc2c(cccc2s1)Oc3cc(ncn3)c4ccc(cc4)C(F)(F)F","InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)","AMG-517","2024-03-12","2025-11-21","~{N}-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide","2025-11-26"],["JQQ","[(2~{R},3~{S},4~{S})-5-[(16~{S})-16-[(1~{S})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C30 H38 F N4 O9 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](CC(C)(C)c(c1C)c24)[CH](F)Cc5ccccc5)C(=O)NC(=N3)O;Cc1cc2c3c(c1C)C(CC(N3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)N=C(NC4=O)O)C(Cc5ccccc5)F)(C)C","InChI=1S/C30H38FN4O9P/c1-15-10-19-24-23(16(15)2)30(3,4)12-20(18(31)11-17-8-6-5-7-9-17)35(24)25-27(32-29(40)33-28(25)39)34(19)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,18,20-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,32,33,39,40)/t18-,20-,21-,22+,26-/m0/s1","","2019-03-20","2019-08-23","[(2~{R},3~{S},4~{S})-5-[(16~{S})-16-[(1~{S})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2019-08-28"],["A1D6T","~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide","C29 H32 F2 N2 O2","CC(C)C(=O)Nc1ccc(C)c(c1)C2CCN(CC2)Cc3ccc(Oc4ccc(F)c(F)c4)cc3;Cc1ccc(cc1C2CCN(CC2)Cc3ccc(cc3)Oc4ccc(c(c4)F)F)NC(=O)C(C)C","InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)","SNAP-94847","2024-03-15","2024-12-13","~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide","2024-12-18"],["JQR","~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide","C20 H19 N3 O4 S","Cc1ccc(cn1)C(=O)Nc2sc(C(=O)C3CCOCC3)c(n2)c4occc4;Cc1ccc(cn1)C(=O)Nc2nc(c(s2)C(=O)C3CCOCC3)c4ccco4","InChI=1S/C20H19N3O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25)","","2022-08-25","2023-03-17","~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide","2023-03-22"],["JQS","5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid","C10 H15 N4 O9 P","c2(ncn(C1C(O)C(O)C(COP(O)(O)=O)O1)c2N=[C@H]N)C(O)=O;NC=Nc1n(cnc1C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N=CN)C(=O)O","InChI=1S/C10H15N4O9P/c11-2-12-8-5(10(17)18)13-3-14(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H2,11,12)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1","","2018-09-17","2018-10-19","5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid","2018-10-24"],["A1D6Y","2-ethoxycarbonylbenzoic acid","C10 H10 O4","CCOC(=O)c1ccccc1C(O)=O;CCOC(=O)c1ccccc1C(=O)O","InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)","monoethyl phthalate","2024-03-22","2024-07-26","2-ethoxycarbonylbenzoic acid","2024-07-31"],["JQT","(2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid","C36 H33 Cl N2 O7","Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN4C[CH](O)C[CH]4C(O)=O)cc2Cl)cccc1c5ccc6OCCOc6c5;Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5CC(CC5C(=O)O)O)OCc6cccc(c6)C#N","InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31+/m1/s1","","2019-03-20","2019-03-29","(2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid","2019-04-03"],["JQU","N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide","C18 H14 N4 O S","O=C(Nc1cc2c(C)nn(c3ccccn3)c2s1)c1ccccc1;Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4;Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4","InChI=1S/C18H14N4OS/c1-12-14-11-16(20-17(23)13-7-3-2-4-8-13)24-18(14)22(21-12)15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)","","2022-02-01","2022-10-07","N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide","2022-10-12"],["A1D76","2-[(4R,5S,7R,25S,26R,29R,30S,31R)-13,14,15,18,19,20,21,31,35,36-decahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17(22),18,20,34(38),35-nonaen-29-yl]acetic acid","C41 H30 O27","O[CH]1[CH]2[CH](CC(O)=O)C(=O)O[CH]3[CH]4COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)O[CH]3[CH](OC(=O)c7cc(O)c(O)c(OC1=O)c27)[CH](O4)OC(=O)c8cc(O)c(O)c(O)c8;c1c(cc(c(c1O)O)O)C(=O)OC2C3C4C(C(O2)COC(=O)c5cc(c(c(c5-c6c(cc(c(c6O)O)O)C(=O)O4)O)O)O)OC(=O)C(C7c8c(cc(c(c8OC(=O)C7O)O)O)C(=O)O3)CC(=O)O","InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18-,22+,30-,31-,33+,34-,41+/m1/s1","","2024-05-06","2025-10-31","","2025-11-05"],["JQV","Mycalolide B","C52 H76 N4 O17 S","n2c3c1nc(co1)C(C(C(CC(CC(CC(=O)OC(C(C(CC=Cc4nc(c2oc3)co4)OC)C)CC(C(CCC(OC(C(COC)OC)=O)C(C)C(C(C=[C@H]N(C=O)C)C)OC(C)=O)C)OC)O)S)=O)C)OC;COC[CH](OC)C(=O)O[CH](CC[CH](C)[CH](C[CH]1OC(=O)C[CH](O)C[CH](S)CC(=O)[CH](C)[CH](OC)c2coc(n2)c3coc(n3)c4coc(C=CC[CH](OC)[CH]1C)n4)OC)[CH](C)[CH](OC(C)=O)[CH](C)C=CN(C)C=O;CC1C(CC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)C(C(C(=O)CC(CC(CC(=O)OC1CC(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(COC)OC)OC)O)S)C)OC)OC","InChI=1S/C52H76N4O17S/c1-29(16-17-42(73-52(62)45(66-11)27-63-8)33(5)48(71-34(6)58)30(2)18-19-56(7)28-57)43(65-10)23-44-32(4)41(64-9)14-13-15-46-53-38(25-68-46)50-55-39(26-70-50)51-54-37(24-69-51)49(67-12)31(3)40(60)22-36(74)20-35(59)21-47(61)72-44/h13,15,18-19,24-26,28-33,35-36,41-45,48-49,59,74H,14,16-17,20-23,27H2,1-12H3/b15-13+,19-18+/t29-,30+,31-,32+,33-,35-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1","MycB; Myc; Myb","2018-09-17","2020-06-17","(1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-1-[formyl(methyl)amino]-11-[(10S,11R,14S,16R,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-14-sulfanyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl (2R)-2,3-dimethoxypropanoate","2018-11-21"],["A1D7A","4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one","C15 H11 Cl N4 O2 S","COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccsc34;COc1ccc2c(c1)NC(=O)CN2c3c4c(ccs4)nc(n3)Cl","InChI=1S/C15H11ClN4O2S/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)","","2024-03-29","2024-05-31","4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one","2024-06-05"],["JQW","4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine","C12 H8 Cl2 N4","Nc1nccc(n1)c2c[nH]c3c(Cl)c(Cl)ccc23;c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl","InChI=1S/C12H8Cl2N4/c13-8-2-1-6-7(5-17-11(6)10(8)14)9-3-4-16-12(15)18-9/h1-5,17H,(H2,15,16,18)","","2019-03-21","2020-04-03","4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine","2020-04-08"],["A1D7B","~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate","C14 H26 Cl N O2 S","CCCC[CH](Cl)CCCCC(=O)SCCNC(C)=O;CCCCC(CCCCC(=O)SCCNC(=O)C)Cl","InChI=1S/C14H26ClNO2S/c1-3-4-7-13(15)8-5-6-9-14(18)19-11-10-16-12(2)17/h13H,3-11H2,1-2H3,(H,16,17)/t13-/m0/s1","","2024-03-29","2025-02-21","~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate","2025-02-26"],["JQX","[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone","C22 H24 Br Cl N2 O2","COc1cccc(c1Br)C(=O)N2CCN3C[CH](CC[CH]3C2)c4ccc(Cl)cc4;COc1cccc(c1Br)C(=O)N2CCN3CC(CCC3C2)c4ccc(cc4)Cl","InChI=1S/C22H24BrClN2O2/c1-28-20-4-2-3-19(21(20)23)22(27)26-12-11-25-13-16(7-10-18(25)14-26)15-5-8-17(24)9-6-15/h2-6,8-9,16,18H,7,10-14H2,1H3/t16-,18+/m0/s1","","2022-05-07","2022-09-16","[(7~{R},9~{a}~{R})-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9~{a}-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone","2022-09-21"],["JQY","N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine","C26 H27 F N6","c4(c3c(c1ccc(F)cc1)ncn3C2CCNCC2)ccnc(n4)Nc5ccc(c(C)c5)C;Cc1ccc(Nc2nccc(n2)c3n(cnc3c4ccc(F)cc4)C5CCNCC5)cc1C;Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F","InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)","","2018-09-18","2019-08-02","N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine","2019-08-07"],["A1D7F","5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol","C15 H23 Cl O2","C[CH](Cl)CCCC[CH](C)Cc1cc(O)cc(O)c1;CC(CCCCC(C)Cl)Cc1cc(cc(c1)O)O","InChI=1S/C15H23ClO2/c1-11(5-3-4-6-12(2)16)7-13-8-14(17)10-15(18)9-13/h8-12,17-18H,3-7H2,1-2H3/t11-,12+/m0/s1","","2024-04-02","2025-02-21","5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol","2025-02-26"],["JQZ","prFMN cofactor and phenylpropiolic acid","C31 H36 N4 O11 P","Cc1cc2c3c(c1C)C(C)(C)C[CH]4C(=C(c5ccccc5)[c]6(C(=O)NC(=O)Nc6[n]2C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[n]34)C(O)=O;CC1=CC2=[N](C3=C4(C(=C(C5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C31H36N4O11P/c1-14-10-17-24-22(15(14)2)30(3,4)11-18-21(26(39)40)23(16-8-6-5-7-9-16)31(35(18)24)27(32-29(42)33-28(31)41)34(17)12-19(36)25(38)20(37)13-46-47(43,44)45/h5-10,18-20,25,36-38H,11-13H2,1-4H3,(H,39,40)(H2,43,44,45)(H2,32,33,41,42)/t18-,19-,20+,25-/m0/s1","","2019-03-21","2019-08-23","","2019-08-28"],["A1D7Q","20-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid","C31 H56 N2 O10","OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(O)=O)C(O)=O;C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)NC(CCC(=O)NCCOCCOCC(=O)O)C(=O)O","InChI=1S/C31H56N2O10/c34-27(32-21-22-42-23-24-43-25-30(38)39)20-19-26(31(40)41)33-28(35)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(36)37/h26H,1-25H2,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,40,41)/t26-/m0/s1","","2024-04-10","2025-04-11","20-[[(2~{S})-5-[2-[2-(2-hydroxy-2-oxoethyloxy)ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid","2025-04-16"],["JR0","N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide","C34 H39 N7 O5","O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1;COc1ccc2[nH]c(cc2c1OC)C(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5nc(C)cc(n5)C(=O)NCc6ccccc6;Cc1cc(nc(n1)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)c4cc5c([nH]4)ccc(c5OC)OC)C(=O)NCc6ccccc6","InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42)","","2023-08-08","2024-04-19","N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide","2024-04-24"],["JR2","4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine","C10 H13 N5","n1c(nc(c2ccnc12)N3CCCC3)N;Nc1nc2[nH]ccc2c(n1)N3CCCC3;c1c[nH]c2c1c(nc(n2)N)N3CCCC3","InChI=1S/C10H13N5/c11-10-13-8-7(3-4-12-8)9(14-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2,(H3,11,12,13,14)","","2014-01-15","2015-01-16","4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine","2015-01-21"],["A1D7U","ethyl ~{N}-[2-(4-phenoxyphenoxy)ethyl]carbamate","C17 H19 N O4","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1;CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)","Fenoxycarb","2024-04-12","2025-04-11","ethyl ~{N}-[2-(4-phenoxyphenoxy)ethyl]carbamate","2025-04-16"],["JR3","2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide","C24 H28 Cl Ir N4 O5 S","CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(NC(=O)CN([Ir]Cl)C(=O)c3cc(O)ccn3)cc2;CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C","InChI=1S/C14H14N4O5S.C10H15.ClH.Ir/c15-24(22,23)11-3-1-9(2-4-11)18-13(20)8-17-14(21)12-7-10(19)5-6-16-12;1-6-7(2)9(4)10(5)8(6)3;;/h1-7H,8H2,(H5,15,16,17,18,19,20,21,22,23);1-5H3;1H;/q;;;+2/p-2","","2019-01-10","2019-04-12","2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide","2019-04-17"],["JR4","~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide","C17 H18 F N3 O3 S","CN1C(=O)N(C)c2cc(c(C)cc12)[S](=O)(=O)NCc3ccc(F)cc3;Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C","InChI=1S/C17H18FN3O3S/c1-11-8-14-15(21(3)17(22)20(14)2)9-16(11)25(23,24)19-10-12-4-6-13(18)7-5-12/h4-9,19H,10H2,1-3H3","","2017-08-16","2017-09-08","~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide","2017-09-13"],["A1D7Y","2-methoxy-6-methyl-benzene-1,4-diol","C8 H10 O3","COc1cc(O)cc(C)c1O;Cc1cc(cc(c1O)OC)O","InChI=1S/C8H10O3/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,9-10H,1-2H3","62AA03E1HR","2024-04-19","2024-09-06","2-methoxy-6-methyl-benzene-1,4-diol","2024-09-11"],["A1D7Z","2,3,5-trimethylbenzene-1,4-diol","C9 H12 O2","Cc1cc(O)c(C)c(C)c1O;Cc1cc(c(c(c1O)C)C)O","InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3","Trimethylhydroquinone","2024-04-19","2024-09-06","2,3,5-trimethylbenzene-1,4-diol","2024-09-11"],["JR5","(2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide","C18 H21 F N4 O3 S","Cn1nc2CCCc2c1NC(=O)[CH]3CCCN3[S](=O)(=O)c4ccc(F)cc4;Cn1c(c2c(n1)CCC2)NC(=O)C3CCCN3S(=O)(=O)c4ccc(cc4)F","InChI=1S/C18H21FN4O3S/c1-22-17(14-4-2-5-15(14)21-22)20-18(24)16-6-3-11-23(16)27(25,26)13-9-7-12(19)8-10-13/h7-10,16H,2-6,11H2,1H3,(H,20,24)/t16-/m0/s1","","2017-08-16","2017-09-08","(2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide","2017-09-13"],["A1D83","2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide","C20 H19 N3 O2","Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccncc3;Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccncc3)C)O","InChI=1S/C20H19N3O2/c1-11-3-4-17(24)12(2)18(11)15-9-14(13-5-7-23-8-6-13)10-16(19(15)21)20(22)25/h3-10,24H,21H2,1-2H3,(H2,22,25)","","2024-06-11","2024-09-06","2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide","2024-09-11"],["JR6","2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide","C16 H19 N3 O2 S","COc1ccc(SCC(=O)Nc2n(C)nc3CCCc23)cc1;Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC","InChI=1S/C16H19N3O2S/c1-19-16(13-4-3-5-14(13)18-19)17-15(20)10-22-12-8-6-11(21-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,17,20)","","2017-08-16","2017-09-08","2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide","2017-09-13"],["A1D8A","[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[(2S,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","C15 H24 N5 O17 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)OC4C(C(C(O4)COP(=O)(O)O)O)O)N","InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(34-14)2-33-40(30,31)37-39(27,28)29)36-15-10(23)8(21)5(35-15)1-32-38(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H,30,31)(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","","2024-05-15","2024-11-01","[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","2024-11-06"],["JR7","N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide","C12 H11 Cl N2 O S","C(C)C(=O)Nc1scc(n1)c2ccc(Cl)cc2;CCC(=O)Nc1scc(n1)c2ccc(Cl)cc2;CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl","InChI=1S/C12H11ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16)","","2018-09-18","2024-09-27","N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide","2019-02-20"],["A1D8E","~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide","C20 H13 F6 N3 O2 S","C[C](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N;CC(COc1cc(ccc1C(F)(F)F)C#N)(C#N)NC(=O)c2ccc(cc2)SC(F)(F)F","InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1","monepantel","2024-05-20","2024-07-26","~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide","2024-07-31"],["JR8","4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide","C25 H31 Cl Ir N3 O4 S","[Ir].CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCCN(Cl)C(=O)c3cc(O)ccn3)cc2;CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C","InChI=1S/C15H16ClN3O4S.C10H15.Ir/c16-19(15(21)14-10-12(20)7-8-18-14)9-1-2-11-3-5-13(6-4-11)24(17,22)23;1-6-7(2)9(4)10(5)8(6)3;/h3-8,10H,1-2,9H2,(H,18,20)(H2,17,22,23);1-5H3;","","2019-01-11","2019-04-12","4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide","2019-04-17"],["JR9","N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine","C21 H18 Br N5 O2","Brc1c(cc2OCOc2c1)Cc4nc5c(nccn5c4NCc3ccccc3)N;Nc1nccn2c(NCc3ccccc3)c(Cc4cc5OCOc5cc4Br)nc12;c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5","InChI=1S/C21H18BrN5O2/c22-15-10-18-17(28-12-29-18)9-14(15)8-16-20(25-11-13-4-2-1-3-5-13)27-7-6-24-19(23)21(27)26-16/h1-7,9-10,25H,8,11-12H2,(H2,23,24)","","2014-08-26","2020-06-27","N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine","2014-11-05"],["A1D8Q","(3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1~{H}-indol-2-one","C21 H19 F2 N O4","Oc1ccc2c(NC(=O)C2=Cc3ccc(OC(F)F)c(OC4CCCC4)c3)c1;c1cc(c(cc1C=C2c3ccc(cc3NC2=O)O)OC4CCCC4)OC(F)F","InChI=1S/C21H19F2NO4/c22-21(23)28-18-8-5-12(10-19(18)27-14-3-1-2-4-14)9-16-15-7-6-13(25)11-17(15)24-20(16)26/h5-11,14,21,25H,1-4H2,(H,24,26)/b16-9-","","2024-06-05","2025-02-07","(3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1~{H}-indol-2-one","2025-02-12"],["JRA","3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20+/m1/s1","","2018-09-18","2024-09-27","3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2018-12-19"],["A1D8R","(2~{S})-2,4-bis(azanyl)-3,3-dimethyl-butanoic acid","C6 H14 N2 O2","CC(C)(CN)[CH](N)C(O)=O;CC(C)(CN)C(C(=O)O)N","InChI=1S/C6H14N2O2/c1-6(2,3-7)4(8)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)/t4-/m1/s1","","2024-06-06","2025-06-06","(2~{S})-2,4-bis(azanyl)-3,3-dimethyl-butanoic acid","2025-06-11"],["JRB","2-PIPERAZIN-1-YL-ANILINE","C10 H15 N3","c1c(c(ccc1)N2CCNCC2)N;Nc1ccccc1N2CCNCC2;c1ccc(c(c1)N)N2CCNCC2","InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2","","2014-12-04","2015-05-08","2-(piperazin-1-yl)aniline","2015-05-13"],["JRC","1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C24 H24 N6 O2","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCCC1C;C[CH]1CCCN1C(=O)c2cnn(C)c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5;CC1CCCN1C(=O)c2cnn(c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5)C","InChI=1S/C24H24N6O2/c1-16-7-6-11-30(16)24(32)19-14-25-28(2)22(19)23(31)26-18-10-12-29-15-20(27-21(29)13-18)17-8-4-3-5-9-17/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H,26,31)/t16-/m1/s1","","2022-02-01","2022-10-07","1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["JRD","N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide","C17 H17 N3 O2 S","O=C(N(c2scc(c1ccccc1)n2)Cc3onc(C)c3)CC;CCC(=O)N(Cc1onc(C)c1)c2scc(n2)c3ccccc3;CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3","InChI=1S/C17H17N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3","","2018-09-18","2024-09-27","N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide","2019-02-20"],["A1D8V","5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine","C9 H11 Cl N2 O","Clc1ccc(OC[CH]2CCN2)cn1;c1cc(ncc1OCC2CCN2)Cl","InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1","","2024-06-07","2025-04-25","5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine","2025-04-30"],["JRE","6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide","C16 H17 Cl N4 O2","C[CH](O)c1c(Cl)cncc1c2cnc3N(CCCc3c2)C(N)=O;CC(c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O","InChI=1S/C16H17ClN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m0/s1","","2019-03-21","2020-04-03","6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide","2020-04-08"],["A1D8Y","GSK-1292263","C23 H28 N4 O4 S","CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O;CC(C)c1nc(on1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)S(=O)(=O)C","InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3","","2024-06-07","2024-11-11","5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole","2024-06-19"],["A1D8Z","3,5-bis(trifluoromethyl)aniline","C8 H5 F6 N","Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F;c1c(cc(cc1C(F)(F)F)N)C(F)(F)F","InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2","3,5-Di(trifluoromethyl)aniline","2024-06-11","2025-06-06","3,5-bis(trifluoromethyl)aniline","2025-06-11"],["JRF","1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile","C13 H6 F3 N3 O","Oc1cc(c(C#N)c2nc3ccccc3n12)C(F)(F)F;c1ccc2c(c1)nc3n2c(cc(c3C#N)C(F)(F)F)O","InChI=1S/C13H6F3N3O/c14-13(15,16)8-5-11(20)19-10-4-2-1-3-9(10)18-12(19)7(8)6-17/h1-5,20H","1-Hydroxy-3-trifluoromethyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile","2022-05-09","2022-08-22","1-oxidanyl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile","2022-05-25"],["A1D99","4-methyl-3-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol","C21 H17 N3 O","Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4ccccn4;Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4ccccn4)O","InChI=1S/C21H17N3O/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18/h2-13,25H,1H3,(H,23,24)","","2024-07-30","2025-05-02","4-methyl-3-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol","2025-05-07"],["JRG","N~2~-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","C19 H26 I N3 O6 S","O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCSC;CSCC[CH](NC(=O)N[CH](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O;CSCCC(C(=O)O)NC(=O)NC(CCCCNC(=O)c1ccc(cc1)I)C(=O)O","InChI=1S/C19H26IN3O6S/c1-30-11-9-15(18(27)28)23-19(29)22-14(17(25)26)4-2-3-10-21-16(24)12-5-7-13(20)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1","","2011-07-15","2011-09-30","N~2~-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine",""],["A1D9A","(2~{S})-5-[bis(azanyl)methylideneamino]-2-[[5-[bis(4-chlorophenyl)methyl]-3-methyl-thiophen-2-yl]carbonylamino]pentanoic acid","C25 H26 Cl2 N4 O3 S","Cc1cc(sc1C(=O)N[CH](CCCN=C(N)N)C(O)=O)C(c2ccc(Cl)cc2)c3ccc(Cl)cc3;Cc1cc(sc1C(=O)NC(CCCN=C(N)N)C(=O)O)C(c2ccc(cc2)Cl)c3ccc(cc3)Cl","InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1","JR14a","2024-06-17","2025-04-18","(2~{S})-5-[bis(azanyl)methylideneamino]-2-[[5-[bis(4-chlorophenyl)methyl]-3-methyl-thiophen-2-yl]carbonylamino]pentanoic acid","2025-04-23"],["JRH","prFMN cofactor and crotonic acid adduct","C25 H35 N4 O9 P","C[CH]1C[CH]2CC(C)(C)c3c(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C5=NC(=O)NC(=O)[C]15[N]2c34;Cc1cc2c3c(c1C)C(CC4N3C5(C(C4)C)C(=O)NC(=O)N=C5N2CC(C(C(COP(=O)(O)O)O)O)O)(C)C","InChI=1S/C25H35N4O9P/c1-11-6-15-19-18(13(11)3)24(4,5)8-14-7-12(2)25(29(14)19)21(26-23(34)27-22(25)33)28(15)9-16(30)20(32)17(31)10-38-39(35,36)37/h6,12,14,16-17,20,30-32H,7-10H2,1-5H3,(H,27,33,34)(H2,35,36,37)/t12-,14-,16+,17-,20+,25+/m1/s1","","2019-03-21","2019-08-23","","2019-08-28"],["A1D9E","[(2~{R})-2-oxidanyl-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate","C25 H49 O12 P","CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20-,21-,22-,23-,24+,25-/m1/s1","","2024-06-19","2024-11-08","[(2~{R})-2-oxidanyl-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate","2024-11-13"],["JRI","(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide","C20 H22 F N5 O2","C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34;CC1CN(CC(O1)C(=O)NC2CNCC2F)c3ccc(c4c3cccn4)C#N","InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1","","2022-08-25","2023-09-22","(2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide","2023-09-27"],["A1D9F","~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide","C23 H28 F N O3 S2","CSc1ccccc1c2ccc(C(=O)N(C)CC3(F)CCCCC3)c(c2)[S](C)(=O)=O;CN(CC1(CCCCC1)F)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccccc3SC","InChI=1S/C23H28FNO3S2/c1-25(16-23(24)13-7-4-8-14-23)22(26)19-12-11-17(15-21(19)30(3,27)28)18-9-5-6-10-20(18)29-2/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3","","2024-06-20","2025-05-02","~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide","2025-05-07"],["JRJ","4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine","C14 H15 Br4 N7","Brc1c(Br)c(Br)c(Br)c2nn(nc12)CCc3nnn(c3)CCCCN;NCCCCn1cc(CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1;c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br","InChI=1S/C14H15Br4N7/c15-9-10(16)12(18)14-13(11(9)17)21-25(22-14)6-3-8-7-24(23-20-8)5-2-1-4-19/h7H,1-6,19H2","","2013-07-10","2014-09-05","4-{4-[2-(4,5,6,7-tetrabromo-2H-benzotriazol-2-yl)ethyl]-1H-1,2,3-triazol-1-yl}butan-1-amine","2014-07-30"],["A1D9Q","(3~{S})-1',1'-bis(chloranyl)-5-methyl-spiro[1~{H}-indole-3,2'-cyclopropane]-2-one","C11 H9 Cl2 N O","Cc1ccc2NC(=O)[C]3(CC3(Cl)Cl)c2c1;Cc1ccc2c(c1)C3(CC3(Cl)Cl)C(=O)N2","InChI=1S/C11H9Cl2NO/c1-6-2-3-8-7(4-6)10(9(15)14-8)5-11(10,12)13/h2-4H,5H2,1H3,(H,14,15)/t10-/m0/s1","","2024-07-05","2025-05-09","(3~{S})-1',1'-bis(chloranyl)-5-methyl-spiro[1~{H}-indole-3,2'-cyclopropane]-2-one","2025-05-14"],["JRK","prFMN cofactor and butynoic acid adduct","C26 H33 N4 O11 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34[N]5[CH](CC(C)(C)c(c1C)c25)C(=C4C)C(O)=O;Cc1cc2c3c(c1C)C(CC4N3C5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2CC(C(C(COP(=O)(O)O)O)O)O)(C)C","InChI=1S/C26H33N4O11P/c1-10-6-13-19-18(11(10)2)25(4,5)7-14-17(21(34)35)12(3)26(30(14)19)22(27-24(37)28-23(26)36)29(13)8-15(31)20(33)16(32)9-41-42(38,39)40/h6,14-16,20,31-33H,7-9H2,1-5H3,(H,34,35)(H,28,36,37)(H2,38,39,40)/t14-,15-,16+,20-,26-/m0/s1","","2019-03-21","2019-08-23","","2019-08-28"],["A1D9R","(2~{S})-2-[[6-methoxy-2-[(2-methyl-3-phenyl-phenyl)amino]pyrimidin-4-yl]methylamino]-3-oxidanyl-propanoic acid","C22 H24 N4 O4","COc1cc(CN[CH](CO)C(O)=O)nc(Nc2cccc(c2C)c3ccccc3)n1;Cc1c(cccc1Nc2nc(cc(n2)OC)CNC(CO)C(=O)O)c3ccccc3","InChI=1S/C22H24N4O4/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)25-22-24-16(11-20(26-22)30-2)12-23-19(13-27)21(28)29/h3-11,19,23,27H,12-13H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1","","2024-07-09","2025-03-07","(2~{S})-2-[[6-methoxy-2-[(2-methyl-3-phenyl-phenyl)amino]pyrimidin-4-yl]methylamino]-3-oxidanyl-propanoic acid","2025-03-12"],["JRL","4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","C21 H19 N7 O2","O=C(c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn4cc(nc4n3)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn4cc(nc4n3)c5ccccc5","InChI=1S/C21H19N7O2/c1-26-18(15(12-22-26)20(30)27-9-5-10-27)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29)","","2022-02-01","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["A1D9T","methyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate","C9 H13 N O5 S","COC(=O)C=CC(=O)N[CH]1CC[S](=O)(=O)C1;COC(=O)C=CC(=O)NC1CCS(=O)(=O)C1","InChI=1S/C9H13NO5S/c1-15-9(12)3-2-8(11)10-7-4-5-16(13,14)6-7/h2-3,7H,4-6H2,1H3,(H,10,11)/b3-2-","","2024-07-09","2026-01-16","methyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate","2026-01-21"],["JRM","methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate","C15 H16 N2 O3 S","n1c(N(CC(=O)OC)C(CC)=O)scc1c2ccccc2;CCC(=O)N(CC(=O)OC)c1scc(n1)c2ccccc2;CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2","InChI=1S/C15H16N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3","","2018-09-18","2024-09-27","methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate","2019-02-20"],["JRN","prFMN cofactor and pentafluorocinnamic acid adduct","C30 H34 F5 N4 O9 P","Cc1cc2c3c(c1C)C(C)(C)C[CH](CCc4c(F)c(F)c(F)c(F)c4F)[n+]3c5C(=O)NC(=O)Nc5[n+]2C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;Cc1cc2c3c(c1C)C(CC([n+]3c4c([n+]2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C","InChI=1S/C30H32F5N4O9P/c1-11-7-15-24-18(12(11)2)30(3,4)8-13(5-6-14-19(31)21(33)23(35)22(34)20(14)32)39(24)25-27(36-29(44)37-28(25)43)38(15)9-16(40)26(42)17(41)10-48-49(45,46)47/h7,13,16-17,26,40-42H,5-6,8-10H2,1-4H3,(H2-,37,43,44,45,46,47)/p+2/t13-,16+,17-,26+/m1/s1","","2019-03-21","2019-08-23","[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-16-[2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]ethyl]-4,6-diaza-1,8-diazoniatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,7,9,11,13(17)-pentaen-8-yl]pentyl] dihydrogen phosphate","2019-08-28"],["A1D9Y","(2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine","C19 H23 N O3","CCOc1ccccc1O[CH]([CH]2CNCCO2)c3ccccc3;CCOc1ccccc1OC(c2ccccc2)C3CNCCO3","InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1","Esreboxetine","2024-07-15","2024-09-06","(2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine","2024-09-11"],["JRO","6,7,9-trihydroxy-3-methyl-1H-benzo[g]isochromen-1-one","C14 H10 O5","O=C3OC(=Cc2c3cc1c(O)cc(O)c(O)c1c2)C;CC1=Cc2cc3c(O)c(O)cc(O)c3cc2C(=O)O1;CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O","InChI=1S/C14H10O5/c1-6-2-7-3-10-9(4-8(7)14(18)19-6)11(15)5-12(16)13(10)17/h2-5,15-17H,1H3","","2011-09-09","2012-03-30","6,7,9-trihydroxy-3-methyl-1H-benzo[g]isochromen-1-one",""],["A1D9Z","(2~{R},3~{R})-4-oxidanyl-3-propyl-2-[(3~{E},6~{S},7~{S},9~{E})-3,7,9-trimethyl-6,11-bis(oxidanyl)-2-oxidanylidene-undeca-3,9-dienyl]-2,3-dihydropyran-6-one","C22 H34 O6","CCC[CH]1[CH](CC(=O)C(C)=CC[CH](O)[CH](C)CC(C)=CCO)OC(=O)C=C1O;CCCC1C(OC(=O)C=C1O)CC(=O)C(=CCC(C(C)CC(=CCO)C)O)C","InChI=1S/C22H34O6/c1-5-6-17-20(26)13-22(27)28-21(17)12-19(25)15(3)7-8-18(24)16(4)11-14(2)9-10-23/h7,9,13,16-18,21,23-24,26H,5-6,8,10-12H2,1-4H3/b14-9+,15-7+/t16-,17-,18-,21+/m0/s1","","2024-07-17","2025-07-11","(2~{R},3~{R})-4-oxidanyl-3-propyl-2-[(3~{E},6~{S},7~{S},9~{E})-3,7,9-trimethyl-6,11-bis(oxidanyl)-2-oxidanylidene-undeca-3,9-dienyl]-2,3-dihydropyran-6-one","2025-07-16"],["JRP","(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one","C13 H13 N O2","O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14;c1ccc2c(c1)C34C(CCO3)CC4C(=O)N2","InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1","(3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one","2022-05-09","2022-09-23","(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one","2022-09-28"],["JRQ","ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate","C16 H22 N2 O3","CCOC(=O)C[CH]1N(CCNC1=O)Cc2ccc(C)cc2;CCOC(=O)CC1C(=O)NCCN1Cc2ccc(cc2)C","InChI=1S/C16H22N2O3/c1-3-21-15(19)10-14-16(20)17-8-9-18(14)11-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1","","2019-03-22","2019-04-26","ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate","2019-05-01"],["A1DA8","N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C24 H30 F3 N5 O4","FC(F)(F)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)C=N;FC(F)(F)C(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)C=N;c1ccc(cc1)CC(C(=O)NC(CC2CC2)C(=O)NC(CC3CCNC3=O)C=N)NC(=O)C(F)(F)F","InChI=1S/C24H30F3N5O4/c25-24(26,27)23(36)32-19(10-14-4-2-1-3-5-14)22(35)31-18(11-15-6-7-15)21(34)30-17(13-28)12-16-8-9-29-20(16)33/h1-5,13,15-19,28H,6-12H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/b28-13-/t16-,17-,18-,19+/m0/s1","","2026-03-23","2026-04-17","N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2026-04-22"],["A1DAM","N-[(3-{[3-(5-chlorothiophene-2-sulfonamido)-4-methoxy-1H-indazol-1-yl]methyl}phenyl)methyl]-2-hydroxy-2-methylpropanamide","C24 H25 Cl N4 O5 S2","O=S(=O)(Nc1nn(Cc2cccc(CNC(=O)C(C)(C)O)c2)c2cccc(OC)c21)c1ccc(Cl)s1;COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(N[S](=O)(=O)c4sc(Cl)cc4)c12;CC(C)(C(=O)NCc1cccc(c1)Cn2c3cccc(c3c(n2)NS(=O)(=O)c4ccc(s4)Cl)OC)O","InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)","","2026-03-13","2026-03-27","N-[(3-{[3-(5-chlorothiophene-2-sulfonamido)-4-methoxy-1H-indazol-1-yl]methyl}phenyl)methyl]-2-hydroxy-2-methylpropanamide","2026-04-01"],["JRR","6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H29 F N4 O","Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCCc3cccc(c3)F","InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1","","2010-06-24","2011-06-04","6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["A1DAN","2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide","C11 H9 Cl2 N3 O3 S","COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl;COc1nccnc1N[S](=O)(=O)c2cccc(Cl)c2Cl;COc1c(nccn1)NS(=O)(=O)c2cccc(c2Cl)Cl","InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)","","2026-03-13","2026-03-27","2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide","2026-04-01"],["JRS","6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H29 F N4 O","Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCCc3cccc(c3)F","InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m0/s1","","2010-06-24","2011-06-04","6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["JRT","2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide","C17 H17 N3 O","O=C(Cn1cnc2ccccc12)NCCc3ccccc3;c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3","InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)","","2019-03-22","2019-05-03","2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide","2019-05-08"],["A1DAO","(1R,3r)-3-{(3R)-3-[1-(5-chloro-4-{[(1R)-1-(2,4-dichlorophenyl)ethyl]amino}-6-methylpyrimidin-2-yl)azetidin-3-yl]piperidin-1-yl}-1-methylcyclobutane-1-carboxylic acid","C27 H34 Cl3 N5 O2","Clc1ccc(c(Cl)c1)C(C)Nc1nc(nc(C)c1Cl)N1CC(C1)C1CCCN(C1)C1CC(C)(C1)C(=O)O;C[CH](Nc1nc(nc(C)c1Cl)N2C[CH](C2)[CH]3CCCN(C3)[CH]4C[C](C)(C4)C(O)=O)c5ccc(Cl)cc5Cl;Cc1c(c(nc(n1)N2CC(C2)C3CCCN(C3)C4CC(C4)(C)C(=O)O)NC(C)c5ccc(cc5Cl)Cl)Cl","InChI=1S/C27H34Cl3N5O2/c1-15(21-7-6-19(28)9-22(21)29)31-24-23(30)16(2)32-26(33-24)35-13-18(14-35)17-5-4-8-34(12-17)20-10-27(3,11-20)25(36)37/h6-7,9,15,17-18,20H,4-5,8,10-14H2,1-3H3,(H,36,37)(H,31,32,33)/t15-,17+,20-,27-/m1/s1","","2026-03-13","2026-03-27","(1R,3r)-3-{(3R)-3-[1-(5-chloro-4-{[(1R)-1-(2,4-dichlorophenyl)ethyl]amino}-6-methylpyrimidin-2-yl)azetidin-3-yl]piperidin-1-yl}-1-methylcyclobutane-1-carboxylic acid","2026-04-01"],["JRU","methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate","C21 H23 N5 O5 S","COC(=O)c1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1;CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(ccc3OC)C(=O)OC","InChI=1S/C21H23N5O5S/c1-13(2)32(28,29)18-8-6-5-7-15(18)24-20-22-12-23-21(26-20)25-16-11-14(19(27)31-4)9-10-17(16)30-3/h5-13H,1-4H3,(H2,22,23,24,25,26)","","2023-08-09","2025-10-06","methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate","2024-06-26"],["A1DAR","linearized tylvalosin","C53 H93 N O20","CC(C)CC(=O)OC1C(C)OC(CC1(C)O)OC1C(N(C)C)C(O)C(OC1C)OC(C(C)C(CC(=O)O)OC(C)=O)C(CC=O)CC(C)C(=O)CCC(C)CC(COC1OC(C)C(O)C(OC)C1OC)C(O)CC;CC[CH](O)[CH](CO[CH]1O[CH](C)[CH](O)[CH](OC)[CH]1OC)C[CH](C)CCC(=O)[CH](C)C[CH](CC=O)[CH](O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](OC(=O)CC(C)C)[CH](C)O3)[CH]([CH]2O)N(C)C)[CH](C)[CH](CC(O)=O)OC(C)=O;CCC(C(CC(C)CCC(=O)C(C)CC(CC=O)C(C(C)C(CC(=O)O)OC(=O)C)OC1C(C(C(C(O1)C)OC2CC(C(C(O2)C)OC(=O)CC(C)C)(C)O)N(C)C)O)COC3C(C(C(C(O3)C)O)OC)OC)O","InChI=1S/C53H93NO20/c1-16-37(57)36(26-67-52-49(66-15)48(65-14)44(62)31(7)69-52)22-28(4)17-18-38(58)29(5)23-35(19-20-55)46(30(6)39(24-40(59)60)71-34(10)56)74-51-45(63)43(54(12)13)47(32(8)70-51)73-42-25-53(11,64)50(33(9)68-42)72-41(61)21-27(2)3/h20,27-33,35-37,39,42-52,57,62-64H,16-19,21-26H2,1-15H3,(H,59,60)/t28-,29+,30-,31+,32+,33-,35-,36+,37+,39+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52+,53+/m0/s1","","2026-03-13","2026-04-03","(3R,4S,5S,6R,8R,12S,14R,15R)-3-(acetyloxy)-14-{[(6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy]methyl}-5-({3,6-dideoxy-4-O-[(3xi)-2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)-alpha-L-ribo-hexopyranosyl]-3-(dimethylamino)-beta-D-glucopyranosyl}oxy)-15-hydroxy-4,8,12-trimethyl-9-oxo-6-(2-oxoethyl)heptadecanoic acid","2026-04-08"],["A1DAY","(8S)-3-(6-butyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine","C17 H16 N4 S","CCCCc1ccc2nc(sc2c1)c1cnn2cccnc21;CCCCc1ccc2nc(sc2c1)c3cnn4cccnc34;CCCCc1ccc2c(c1)sc(n2)c3cnn4c3nccc4","InChI=1S/C17H16N4S/c1-2-3-5-12-6-7-14-15(10-12)22-17(20-14)13-11-19-21-9-4-8-18-16(13)21/h4,6-11H,2-3,5H2,1H3","","2026-03-18","2026-03-20","(8S)-3-(6-butyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine","2026-03-25"],["JRV","methyl 6-S-beta-D-glucopyranosyl-6-thio-beta-D-glucopyranoside","C13 H24 O10 S","C1(OC(C(O)C(C1O)O)SCC2OC(C(C(C2O)O)O)OC)CO;CO[CH]1O[CH](CS[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CSC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C13H24O10S/c1-21-12-10(19)8(17)7(16)5(22-12)3-24-13-11(20)9(18)6(15)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1","METHYL 6-THIO-BETA-GENTIOBIOSIDE","2018-09-19","2020-07-17","methyl 6-S-beta-D-glucopyranosyl-6-thio-beta-D-glucopyranoside","2019-05-29"],["A1DD0","(SP-4-2')-[2,2'-{ethane-1,2-diylbis[(azanylylidene-kappaN)methanylylidene]}bis(4,6-di-tert-butylphenolato-kappaO)]cobalt","C32 H46 Co N2 O2","CC(C)(C)c1cc2C=[N+]3CC[N+]4=Cc5cc(cc(c5O[Co]34Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C;CC(C)(C)c1cc2C=[N+]3CC[N+]4=Cc5cc(cc(c5O[Co]34Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C;CC(C)(C)c1cc2c(c(c1)C(C)(C)C)O[Co]34[N+](=C2)CC[N+]3=Cc5cc(cc(c5O4)C(C)(C)C)C(C)(C)C","InChI=1S/C32H48N2O2.Co/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;/h15-20,35-36H,13-14H2,1-12H3;/q;+4/p-2/b33-19+,34-20+;","","2026-04-22","2026-04-24","(SP-4-2')-[2,2'-{ethane-1,2-diylbis[(azanylylidene-kappaN)methanylylidene]}bis(4,6-di-tert-butylphenolato-kappaO)]cobalt(2+)","2026-04-29"],["JRW","(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one","C19 H26 N2 O2","CC(C)[C]12C[C](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2;Cc1ccc2c(c1)CNC3(CC2(N(C3=O)C4CCC4)O)C(C)C","InChI=1S/C19H26N2O2/c1-12(2)18-11-19(23,21(17(18)22)15-5-4-6-15)16-8-7-13(3)9-14(16)10-20-18/h7-9,12,15,20,23H,4-6,10-11H2,1-3H3/t18-,19-/m0/s1","","2019-03-22","2019-05-03","(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one","2019-05-08"],["A1E02","3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one","C15 H8 F6 N2 O2","Oc1ccc(cc1N2C(=O)Nc3cc(ccc23)C(F)(F)F)C(F)(F)F;c1cc2c(cc1C(F)(F)F)NC(=O)N2c3cc(ccc3O)C(F)(F)F","InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)","","2025-11-18","2026-01-30","3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one","2026-02-04"],["JRX","2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline","C21 H24 N4 O2 S","O=S(=O)(c1ccc(C)cc1)N1CCN(CC1)c1nc2ccccc2nc1CC;CCc1nc2ccccc2nc1N3CCN(CC3)[S](=O)(=O)c4ccc(C)cc4;CCc1c(nc2ccccc2n1)N3CCN(CC3)S(=O)(=O)c4ccc(cc4)C","InChI=1S/C21H24N4O2S/c1-3-18-21(23-20-7-5-4-6-19(20)22-18)24-12-14-25(15-13-24)28(26,27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3","","2022-02-01","2022-10-07","2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline","2022-10-12"],["A1E06","Enfumafungin","C38 H60 O12","CC(C)[CH](C)[C]1(C)CC[C]2(C)[CH]3CC[CH]4[C]5(C)CO[CH](O)[C]4(C[CH](OC(C)=O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C3=CC[C]2(C)[CH]1C(O)=O;CC(C)C(C)C1(CCC2(C3CCC4C5(COC(C4(C3=CCC2(C1C(=O)O)C)CC(C5OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C)O)C)C)C","InChI=1S/C38H60O12/c1-18(2)19(3)34(5)13-14-36(7)21-9-10-25-35(6)17-47-33(46)38(25,22(21)11-12-37(36,8)29(34)31(44)45)15-23(48-20(4)40)30(35)50-32-28(43)27(42)26(41)24(16-39)49-32/h11,18-19,21,23-30,32-33,39,41-43,46H,9-10,12-17H2,1-8H3,(H,44,45)/t19-,21+,23-,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36-,37+,38+/m1/s1","","2025-11-24","2026-02-13","","2026-02-18"],["JRY","hexylcarbamic acid","C7 H15 N O2","C(=O)(NCCCCCC)O;CCCCCCNC(O)=O;CCCCCCNC(=O)O","InChI=1S/C7H15NO2/c1-2-3-4-5-6-8-7(9)10/h8H,2-6H2,1H3,(H,9,10)","","2018-09-19","2025-07-08","hexylcarbamic acid","2019-01-23"],["JRZ","(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol","C17 H27 N O2","OC(C(NC(C)C)C)COc1ccc(c2c1CCC2)C;CC(C)N[CH](C)[CH](O)COc1ccc(C)c2CCCc12;Cc1ccc(c2c1CCC2)OCC(C(C)NC(C)C)O","InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1","","2010-08-02","2011-06-04","(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol",""],["A1E1C","5-chloranyl-~{N}4-(2-dimethylphosphorylphenyl)-~{N}2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitro-phenyl]pyrimidine-2,4-diamine","C24 H29 Cl N7 O4 P","COc1cc(N2CCN(C)CC2)c(cc1Nc3ncc(Cl)c(Nc4ccccc4[P](C)(C)=O)n3)[N+]([O-])=O;CN1CCN(CC1)c2cc(c(cc2[N+](=O)[O-])Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl)OC","InChI=1S/C24H29ClN7O4P/c1-30-9-11-31(12-10-30)19-14-21(36-2)18(13-20(19)32(33)34)28-24-26-15-16(25)23(29-24)27-17-7-5-6-8-22(17)37(3,4)35/h5-8,13-15H,9-12H2,1-4H3,(H2,26,27,28,29)","","2025-11-28","2025-12-19","5-chloranyl-~{N}4-(2-dimethylphosphorylphenyl)-~{N}2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitro-phenyl]pyrimidine-2,4-diamine","2025-12-24"],["A1E1J","7-bromanyl-5-chloranyl-3-phenylazanyl-1-benzothiophene-2-carboxylic acid","C15 H9 Br Cl N O2 S","OC(=O)c1sc2c(Br)cc(Cl)cc2c1Nc3ccccc3;c1ccc(cc1)Nc2c3cc(cc(c3sc2C(=O)O)Br)Cl","InChI=1S/C15H9BrClNO2S/c16-11-7-8(17)6-10-12(14(15(19)20)21-13(10)11)18-9-4-2-1-3-5-9/h1-7,18H,(H,19,20)","","2025-12-02","2025-12-05","7-bromanyl-5-chloranyl-3-phenylazanyl-1-benzothiophene-2-carboxylic acid","2025-12-10"],["JS0","[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol","C20 H25 N3 O2","OCc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1;C#CCN1CCN(CC1)CCCOc2cccc3c2nc(cc3)CO","InChI=1S/C20H25N3O2/c1-2-9-22-11-13-23(14-12-22)10-4-15-25-19-6-3-5-17-7-8-18(16-24)21-20(17)19/h1,3,5-8,24H,4,9-16H2","8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde","2022-05-09","2024-09-27","[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol","2023-02-01"],["JS1","ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate","C20 H21 N O4","O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN(C)C;CCOC(=O)c1c(oc2ccc(O)c(CN(C)C)c12)c3ccccc3;CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3","InChI=1S/C20H21NO4/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3","","2014-01-17","2017-06-30","ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate","2017-07-05"],["A1E1Q","(2~{S})-2-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","C24 H48 N O9 P","CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O","InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1","Lysophosphatidylserine","2025-12-07","2026-04-10","(2~{S})-2-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","2026-04-15"],["JS2","5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-\nribofuranose","C14 H23 N5 O12 P2","O=C3NC=Nc1c3nc(N)n1CCCCOP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O;Nc1nc2C(=O)NC=Nc2n1CCCCO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]3O;C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)O)O)O)N)C(=O)N1","InChI=1S/C14H23N5O12P2/c15-14-18-8-11(16-6-17-12(8)22)19(14)3-1-2-4-28-32(24,25)31-33(26,27)29-5-7-9(20)10(21)13(23)30-7/h6-7,9-10,13,20-21,23H,1-5H2,(H2,15,18)(H,24,25)(H,26,27)(H,16,17,22)/t7-,9-,10-,13+/m1/s1","5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-\nribose;\n5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-ribose;\n5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-ribose","2014-06-18","2020-07-17","5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-\nribofuranose","2015-05-13"],["A1E26","Veratridine","C36 H51 N O11","COc1ccc(cc1OC)C(=O)O[CH]2CC[C]3(C)[CH]4CC[CH]5[C]6(O)C[CH](O)[C]7(O)[CH](CN8C[CH](C)CC[CH]8[C]7(C)O)[C]6(O)C[C]35O[C]24O;CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)c8ccc(c(c8)OC)OC)O)C)O)O)O)(C)O","InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1","","2026-01-02","2026-03-06","","2026-03-11"],["JS3","2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide","C15 H11 Cl N2 O S","O=C(c1sc(Cl)nc1C)Nc3cc2ccccc2cc3;Cc1nc(Cl)sc1C(=O)Nc2ccc3ccccc3c2;Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2","InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)","","2013-04-08","2014-03-21","2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide","2014-03-26"],["A1E2N","Sivopixant","C25 H22 Cl N5 O5","C[CH](CN1C(=O)N=C(Nc2ccc(Oc3ccccn3)cc2)N(Cc4ccc(Cl)cc4)C1=O)C(O)=O;CC(CN1C(=O)N=C(N(C1=O)Cc2ccc(cc2)Cl)Nc3ccc(cc3)Oc4ccccn4)C(=O)O","InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1","(2~{S})-3-[3-[(4-chlorophenyl)methyl]-2,6-bis(oxidanylidene)-4-[(4-pyridin-2-yloxyphenyl)amino]-1,3,5-triazin-1-yl]-2-methyl-propanoic acid","2025-12-22","2026-03-27","(2~{S})-3-[3-[(4-chlorophenyl)methyl]-2,6-bis(oxidanylidene)-4-[(4-pyridin-2-yloxyphenyl)amino]-1,3,5-triazin-1-yl]-2-methyl-propanoic acid","2026-04-01"],["JS4","(2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM\nINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(\nHYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL","C28 H57 N7 O14","O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4OCCNCCCN)CO;NCCCNCCO[CH]1[CH](O[CH](CO)[CH]1O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2N)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)OCCNCCCN)O)N","InChI=1S/C28H57N7O14/c29-2-1-3-35-4-5-43-25-23(48-26-15(33)20(41)18(39)12(7-30)44-26)14(9-37)46-28(25)49-24-17(38)10(31)6-11(32)22(24)47-27-16(34)21(42)19(40)13(8-36)45-27/h10-28,35-42H,1-9,29-34H2/t10-,11+,12+,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+/m1/s1","2\"-O-[N-(3-(AMINOPROPYL)2-AMINOETHYL]PAROMOMYCIN;\nO-2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL-(1,3)-BETA-D-2-O-(2-(1,3\n-DIAMINOPROPYL)-ETHYL)-RIBOFURANOSYL-(1,5)-2-DEOXY-D-STREPTAMINE","2005-11-16","2020-06-17","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[2-O-{2-[(3-aminopropyl)amino]ethyl}-3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["A1E2O","(3~{R},4~{S},5~{S},6~{R},8~{R},10~{E},12~{E},14~{R},15~{R})-14-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-(dimethylamino)-5-[(2~{S},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4,8,12-trimethyl-3,15-bis(oxidanyl)-9-oxidanylidene-6-(2-oxidanylideneethyl)heptadeca-10,12-dienoic acid","C46 H79 N O18","CC[CH](O)[CH](CO[CH]1O[CH](C)[CH](O)[CH](OC)[CH]1OC)C=C(C)C=CC(=O)[CH](C)C[CH](CC=O)[CH](O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](O)[CH](C)O3)[CH]([CH]2O)N(C)C)[CH](C)[CH](O)CC(O)=O;CCC(C(COC1C(C(C(C(O1)C)O)OC)OC)C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(CC(=O)O)O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)O","InChI=1S/C46H79NO18/c1-13-31(49)30(22-60-45-42(59-12)41(58-11)37(54)26(5)62-45)18-23(2)14-15-32(50)24(3)19-29(16-17-48)39(25(4)33(51)20-34(52)53)65-44-38(55)36(47(9)10)40(27(6)63-44)64-35-21-46(8,57)43(56)28(7)61-35/h14-15,17-18,24-31,33,35-45,49,51,54-57H,13,16,19-22H2,1-12H3,(H,52,53)/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,31-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1","","2025-12-22","2026-04-03","(3~{R},4~{S},5~{S},6~{R},8~{R},10~{E},12~{E},14~{R},15~{R})-14-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-(dimethylamino)-5-[(2~{S},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4,8,12-trimethyl-3,15-bis(oxidanyl)-9-oxidanylidene-6-(2-oxidanylideneethyl)heptadeca-10,12-dienoic acid","2026-04-08"],["JS5","(2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4\n,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI\nN-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL","C31 H61 N7 O14","O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC3OC(CN)C(O)C(O)C3N)C5OCCNCC4CCCNC4)CO;NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH]2OCCNC[CH]5CCCNC5)[CH](N)[CH](O)[CH]1O;C1CC(CNC1)CNCCOC2C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)N)N)N)O)CO)OC5C(C(C(C(O5)CN)O)O)N","InChI=1S/C31H61N7O14/c32-7-15-21(42)23(44)18(35)29(47-15)51-26-17(11-40)49-31(28(26)46-5-4-38-9-12-2-1-3-37-8-12)52-27-20(41)13(33)6-14(34)25(27)50-30-19(36)24(45)22(43)16(10-39)48-30/h12-31,37-45H,1-11,32-36H2/t12?,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1","2\"-O-[N-(3-(AMINOMETHYL)-PYRIDINE)-2-AMINOETHYL]PAROMOMYCIN;\nO-2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL-(1,3)-BETA-D-2-O-(3-ETHY\nLAMINOMETHYL)-PYRIDYL-(1,5)]-2-DEOXY-D-STREPTAMINE","2005-11-09","2020-06-17","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-(2-{[(3R)-piperidin-3-ylmethyl]amino}ethyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["A1E2R","methyl N-[(3S)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]carbamate","C6 H9 N O4 S","COC(=O)N[CH]1C[S](=O)(=O)C=C1;COC(=O)NC1CS(=O)(=O)C=C1","InChI=1S/C6H9NO4S/c1-11-6(8)7-5-2-3-12(9,10)4-5/h2-3,5H,4H2,1H3,(H,7,8)/t5-/m0/s1","","2025-12-23","2026-03-13","methyl ~{N}-[(3~{S})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]carbamate","2026-03-18"],["JS6","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside","C33 H58 N6 O14","O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC3OC(CN)C(O)C(O)C3N)C5OCCNCCc4ccccc4)CO;NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH]2OCCNCCc5ccccc5)[CH](N)[CH](O)[CH]1O;c1ccc(cc1)CCNCCOC2C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)N)N)N)O)CO)OC5C(C(C(C(O5)CN)O)O)N","InChI=1S/C33H58N6O14/c34-11-17-23(43)25(45)20(37)31(48-17)52-28-19(13-41)50-33(30(28)47-9-8-39-7-6-14-4-2-1-3-5-14)53-29-22(42)15(35)10-16(36)27(29)51-32-21(38)26(46)24(44)18(12-40)49-32/h1-5,15-33,39-46H,6-13,34-38H2/t15-,16+,17+,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1","","2011-06-01","2011-09-16","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["A1E3H","~{N}-[4-[(2~{S})-2-[2-[4-[2-(3-cyanophenyl)ethanoyl]piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide","C32 H36 F3 N7 O4 S","Cn1nc(cc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCC[CH]3CCN4CCN(CC4)C(=O)Cc5cccc(c5)C#N)C(F)(F)F;Cn1c(cc(n1)C(F)(F)F)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3CCN4CCN(CC4)C(=O)Cc5cccc(c5)C#N","InChI=1S/C32H36F3N7O4S/c1-39-28(21-29(38-39)32(33,34)35)31(44)37-25-8-10-27(11-9-25)47(45,46)42-13-3-2-7-26(42)12-14-40-15-17-41(18-16-40)30(43)20-23-5-4-6-24(19-23)22-36/h4-6,8-11,19,21,26H,2-3,7,12-18,20H2,1H3,(H,37,44)/t26-/m0/s1","","2026-01-10","2026-04-24","~{N}-[4-[(2~{S})-2-[2-[4-[2-(3-cyanophenyl)ethanoyl]piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide","2026-04-29"],["JS7","4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide","C13 H15 N5 O5 S","O=S(=O)(N)c1ccc(cc1)CCNc2ncnc(OC)c2[N+]([O-])=O;COc1ncnc(NCCc2ccc(cc2)[S](N)(=O)=O)c1[N+]([O-])=O;COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]","InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17)","","2010-03-29","2011-06-04","4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide",""],["JS9","4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide","C31 H35 N5 O4","COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC;COCC1(CC1)CN(C)C(=O)c2ccc(CCn3cc(nn3)c4ccc(nc4)c5cc(OC)ccc5OC)cc2;CN(CC1(CC1)COC)C(=O)c2ccc(cc2)CCn3cc(nn3)c4ccc(nc4)c5cc(ccc5OC)OC","InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3","","2023-08-09","2024-04-19","4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide","2024-04-24"],["A1E46","7-oxidanylidene-~{N}-[(1~{S})-1-[4-(trifluoromethyl)phenyl]propyl]-2,4,5,6-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide","C17 H17 F3 N4 O2","CC[CH](NC(=O)c1[nH]nc2C(=O)NCCc12)c3ccc(cc3)C(F)(F)F;CCC(c1ccc(cc1)C(F)(F)F)NC(=O)c2c3c(n[nH]2)C(=O)NCC3","InChI=1S/C17H17F3N4O2/c1-2-12(9-3-5-10(6-4-9)17(18,19)20)22-16(26)14-11-7-8-21-15(25)13(11)23-24-14/h3-6,12H,2,7-8H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t12-/m0/s1","","2026-02-08","2026-02-13","7-oxidanylidene-~{N}-[(1~{S})-1-[4-(trifluoromethyl)phenyl]propyl]-2,4,5,6-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide","2026-02-18"],["A1E4N","4-(4-chlorophenyl)-2-[[4-(3,6-dihydro-2~{H}-pyran-4-yl)phenyl]sulfonylamino]benzoic acid","C24 H20 Cl N O5 S","OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3=CCOCC3)c4ccc(Cl)cc4;c1cc(ccc1c2ccc(c(c2)NS(=O)(=O)c3ccc(cc3)C4=CCOCC4)C(=O)O)Cl","InChI=1S/C24H20ClNO5S/c25-20-6-1-17(2-7-20)19-5-10-22(24(27)28)23(15-19)26-32(29,30)21-8-3-16(4-9-21)18-11-13-31-14-12-18/h1-11,15,26H,12-14H2,(H,27,28)","","2026-02-01","2026-02-27","4-(4-chlorophenyl)-2-[[4-(3,6-dihydro-2~{H}-pyran-4-yl)phenyl]sulfonylamino]benzoic acid","2026-03-04"],["JSA","5'-O-{[(1R)-1-hydroxydodecyl]sulfamoyl}adenosine","C22 H38 N6 O7 S","c23n(C1OC(COS(NC(CCCCCCCCCCC)O)(=O)=O)C(C1O)O)cnc2c(ncn3)N;CCCCCCCCCCC[CH](O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCCC(NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C22H38N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h13-16,18-19,22,27,29-31H,2-12H2,1H3,(H2,23,24,25)/t15-,16-,18-,19-,22-/m1/s1","","2018-05-11","2019-04-19","5'-O-{[(1R)-1-hydroxydodecyl]sulfamoyl}adenosine","2019-04-24"],["JSB","(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one","C17 H22 N2 O2","CC(C)[C]12C[C](O)(N(C3CC3)C1=O)c4ccccc4CN2;CC(C)C12CC(c3ccccc3CN1)(N(C2=O)C4CC4)O","InChI=1S/C17H22N2O2/c1-11(2)16-10-17(21,19(15(16)20)13-7-8-13)14-6-4-3-5-12(14)9-18-16/h3-6,11,13,18,21H,7-10H2,1-2H3/t16-,17-/m0/s1","","2019-03-22","2019-05-03","(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one","2019-05-08"],["A1E4Q","~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide","C25 H18 Cl N5 O2 S","Clc1ccc(cc1)c2ccc(c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2)c5[nH]nnn5;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3c4[nH]nnn4)c5ccc(cc5)Cl","InChI=1S/C25H18ClN5O2S/c26-21-11-6-19(7-12-21)20-10-15-23(25-27-30-31-28-25)24(16-20)29-34(32,33)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,29H,(H,27,28,30,31)","","2026-02-01","2026-02-13","~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide","2026-02-18"],["A1E4R","4-(4-chlorophenyl)benzoic acid","C13 H9 Cl O2","OC(=O)c1ccc(cc1)c2ccc(Cl)cc2;c1cc(ccc1c2ccc(cc2)Cl)C(=O)O","InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)","","2026-02-01","2026-02-06","4-(4-chlorophenyl)benzoic acid","2026-02-11"],["JSC","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","C22 H17 N2 O6 Ru S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)CCC(=O)C2%11C8C9C%10C2[Ru]865489%10%11C3C7C6C5C34;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)CCC(=O)C23[Ru]|4|5|6|7|8|9|%10(|C%11C|4C|5C|6C|7%11)|C(C|8C2|9)C3|%10)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C","InChI=1S/C17H21N2O6S.C5H5.Ru/c1-17(2)13(16(24)25)19-14(26-17)12(15(22)23)18-11(21)8-7-10(20)9-5-3-4-6-9;1-2-4-5-3-1;/h3-6,12-14,19H,7-8H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);1-5H;/t12-,13-,14+;;/m0../s1","","2015-02-18","2015-03-13","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2015-03-18"],["JSD","[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","C21 H17 N2 O4 Ru S","O=C(NCC1SC(C(N1)C(=O)O)(C)C)CCC(=O)C2%11C8C9C%10C2[Ru]865489%10%11C3C7C6C5C34;CC1(C)S[CH](CNC(=O)CCC(=O)C23[Ru]|4|5|6|7|8|9|%10(|C%11C|4C|5C|6C|7%11)|C(C|8C2|9)C3|%10)N[CH]1C(O)=O;CC1(C(NC(S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C","InChI=1S/C16H21N2O4S.C5H5.Ru/c1-16(2)14(15(21)22)18-13(23-16)9-17-12(20)8-7-11(19)10-5-3-4-6-10;1-2-4-5-3-1;/h3-6,13-14,18H,7-9H2,1-2H3,(H,17,20)(H,21,22);1-5H;/t13-,14+;;/m1../s1","","2015-02-18","2015-03-13","[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2015-03-18"],["A1E5A","3-azanyl-5-chloranyl-4-(7-fluoranyl-2H-indazol-4-yl)-7-methyl-1H-1,6-naphthyridin-2-one","C16 H11 Cl F N5 O","Cc1cc2NC(=O)C(=C(c3ccc(F)c4n[nH]cc34)c2c(Cl)n1)N;Cc1cc2c(c(n1)Cl)C(=C(C(=O)N2)N)c3ccc(c4c3c[nH]n4)F","InChI=1S/C16H11ClFN5O/c1-6-4-10-12(15(17)21-6)11(13(19)16(24)22-10)7-2-3-9(18)14-8(7)5-20-23-14/h2-5H,19H2,1H3,(H,20,23)(H,22,24)","","2026-02-09","2026-03-20","3-azanyl-5-chloranyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-7-methyl-1~{H}-1,6-naphthyridin-2-one","2026-03-25"],["A1E5J","9-azanyl-10-(7-fluoranyl-1H-indazol-4-yl)-6-methyl-2,3,4,7-tetrahydropyrano[2,3-f][1,7]naphthyridin-8-one","C19 H16 F N5 O2","Cc1nc2CCCOc2c3c1NC(=O)C(=C3c4ccc(F)c5[nH]ncc45)N;Cc1c2c(c3c(n1)CCCO3)C(=C(C(=O)N2)N)c4ccc(c5c4cn[nH]5)F","InChI=1S/C19H16FN5O2/c1-8-16-14(18-12(23-8)3-2-6-27-18)13(15(21)19(26)24-16)9-4-5-11(20)17-10(9)7-22-25-17/h4-5,7H,2-3,6,21H2,1H3,(H,22,25)(H,24,26)","","2026-02-13","2026-03-20","9-azanyl-10-(7-fluoranyl-1~{H}-indazol-4-yl)-6-methyl-2,3,4,7-tetrahydropyrano[2,3-f][1,7]naphthyridin-8-one","2026-03-25"],["JSE","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","C22 H17 N2 O6 Ru S","[Ru]%106234789%10C%11C7C8(C9C%10%11)C(CCC(=O)NC(C(=O)O)C%12NC(C(S%12)(C)C)C(=O)O)=O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)CCC(=O)C23[Ru]|4|5|6|7|8|9|%10(|C%11C|4C|5C|6C|7%11)|C(C|8C2|9)C3|%10)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C","InChI=1S/C17H21N2O6S.C5H5.Ru/c1-17(2)13(16(24)25)19-14(26-17)12(15(22)23)18-11(21)8-7-10(20)9-5-3-4-6-9;1-2-4-5-3-1;/h3-6,12-14,19H,7-8H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);1-5H;/t12-,13-,14-;;/m0../s1","","2015-03-10","2015-03-13","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2015-03-18"],["A1E61","Verlukast","C26 H27 Cl N2 O3 S2","CN(C)C(=O)CCS[CH](SCCC(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1;CN(C)C(=O)CCSC(c1cccc(c1)C=Cc2ccc3ccc(cc3n2)Cl)SCCC(=O)O","InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1","3-[(~{R})-[3-[(~{E})-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]sulfanylpropanoic acid","2026-03-18","2026-03-27","3-[(~{R})-[3-[(~{E})-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]sulfanylpropanoic acid","2026-04-01"],["JSF","3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide","C20 H17 N5 O","Cc1ccc(C)nc1C(=O)Nc1nc2nc(cn2cc1)c1ccccc1;Cc1ccc(C)c(n1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;Cc1ccc(nc1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C","InChI=1S/C20H17N5O/c1-13-8-9-14(2)21-18(13)19(26)23-17-10-11-25-12-16(22-20(25)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24,26)","","2022-02-01","2022-10-07","3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide","2022-10-12"],["A1E6D","Eniporide","C14 H16 N4 O3 S","Cc1cc(n2cccc2)c(cc1C(=O)NC(N)=N)[S](C)(=O)=O;Cc1cc(c(cc1C(=O)NC(=N)N)S(=O)(=O)C)n2cccc2","InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)","","2026-03-03","2026-04-03","~{N}-carbamimidoyl-2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzamide","2026-04-08"],["JSG","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C131 H240 N2 O63 P4","CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[CH]5O[CH]([CH](O)CO)[CH](O[P](O)(O)=O)[CH](O[CH]6O[CH]([CH](O)CO[CH]7O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]7O)[CH](O[P](O)(O)=O)[CH](O)[CH]6O)[CH]5O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)(O)O)OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)OC6(CC(C(C(O6)C(CO)O)O)O)C(=O)O)C(=O)O)OCC7C(C(C(C(O7)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC","InChI=1S/C131H240N2O63P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-98(149)180-85(66-60-54-48-42-35-29-23-17-11-5)72-100(151)184-119-102(133-96(147)71-84(65-59-53-47-41-34-28-22-16-10-4)179-97(148)67-61-55-49-43-36-30-24-18-12-6)123(177-80-93-104(153)118(183-99(150)70-83(139)64-58-52-46-40-33-27-21-15-9-3)101(124(181-93)196-200(173,174)175)132-95(146)69-82(138)63-57-51-45-39-32-26-20-14-8-2)182-94(117(119)193-197(164,165)166)81-178-130(128(160)161)74-92(190-131(129(162)163)73-86(140)103(152)112(191-131)88(142)76-135)116(115(192-130)90(144)78-137)188-127-110(159)120(122(195-199(170,171)172)113(186-127)89(143)77-136)189-126-109(158)107(156)121(194-198(167,168)169)114(187-126)91(145)79-176-125-108(157)105(154)106(155)111(185-125)87(141)75-134/h82-94,101-127,134-145,152-159H,7-81H2,1-6H3,(H,132,146)(H,133,147)(H,160,161)(H,162,163)(H2,164,165,166)(H2,167,168,169)(H2,170,171,172)(H2,173,174,175)/t82-,83-,84-,85-,86-,87+,88-,89+,90-,91+,92-,93-,94-,101-,102-,103-,104-,105+,106+,107-,108+,109+,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,125+,126-,127-,130-,131-/m1/s1","","2018-09-19","2019-03-29","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2019-04-03"],["A1E6E","~{N}-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamide","C11 H15 N3 O5 S2","Cc1cc(c(cc1C(=O)NC(N)=N)[S](C)(=O)=O)[S](C)(=O)=O;Cc1cc(c(cc1C(=O)NC(=N)N)S(=O)(=O)C)S(=O)(=O)C","InChI=1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15)","","2026-03-03","2026-04-03","~{N}-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamide","2026-04-08"],["JSH","prFMN cofactor and cinnamic acid adduct","C30 H37 N4 O9 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34[CH](C[CH]5CC(C)(C)c(c1C)c2[N]45)c6ccccc6;Cc1cc2c3c(c1C)C(CC4N3C5(C(C4)c6ccccc6)C(=O)NC(=O)N=C5N2CC(C(C(COP(=O)(O)O)O)O)O)(C)C","InChI=1S/C30H37N4O9P/c1-15-10-20-24-23(16(15)2)29(3,4)12-18-11-19(17-8-6-5-7-9-17)30(34(18)24)26(31-28(39)32-27(30)38)33(20)13-21(35)25(37)22(36)14-43-44(40,41)42/h5-10,18-19,21-22,25,35-37H,11-14H2,1-4H3,(H,32,38,39)(H2,40,41,42)/t18-,19+,21+,22-,25+,30+/m1/s1","","2019-03-22","2019-08-23","","2019-08-28"],["A1E6Q","methyl (3~{S})-5-methyl-4-oxidanylidene-3-[[3-(phenylmethyl)-1~{H}-1,2,4-triazol-5-yl]carbonylamino]-2,3-dihydro-1,5-benzoxazepine-7-carboxylate","C22 H21 N5 O5","COC(=O)c1ccc2OC[CH](NC(=O)c3[nH]nc(Cc4ccccc4)n3)C(=O)N(C)c2c1;CN1c2cc(ccc2OCC(C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4)C(=O)OC","InChI=1S/C22H21N5O5/c1-27-16-11-14(22(30)31-2)8-9-17(16)32-12-15(21(27)29)23-20(28)19-24-18(25-26-19)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,23,28)(H,24,25,26)/t15-/m0/s1","","2026-03-09","2026-03-13","methyl (3~{S})-5-methyl-4-oxidanylidene-3-[[3-(phenylmethyl)-1~{H}-1,2,4-triazol-5-yl]carbonylamino]-2,3-dihydro-1,5-benzoxazepine-7-carboxylate","2026-03-18"],["JSI","[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid","C14 H11 Br N3 O4 P S","O[P](O)(=O)C=Cc1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23;c1cc(c(cc1Br)C=CP(=O)(O)O)Sc2c[nH]c3c2N=CNC3=O","InChI=1S/C14H11BrN3O4PS/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19/h1-7,16H,(H,17,18,19)(H2,20,21,22)/b4-3+","","2022-05-09","2023-05-12","[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid","2023-05-17"],["JSJ","5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine","C19 H30 N6 O10 P2 S2","C1(OC(C(C1O)O)COP(=O)(O)OP(O)(=O)SSCC2=CC(C)(N(C2(C)C)O)C)n3c4c(nc3)c(ncn4)N;CC1(C)C=C(CSS[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(C)(C)N1O;CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)C","InChI=1S/C19H30N6O10P2S2/c1-18(2)5-10(19(3,4)25(18)28)7-38-39-37(31,32)35-36(29,30)33-6-11-13(26)14(27)17(34-11)24-9-23-12-15(20)21-8-22-16(12)24/h5,8-9,11,13-14,17,26-28H,6-7H2,1-4H3,(H,29,30)(H,31,32)(H2,20,21,22)/t11-,13-,14-,17-/m1/s1","","2018-09-20","2018-11-30","5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine","2018-12-05"],["A1E6R","(3~{S})-~{N}-(cyclopropylmethyl)-5-methyl-4-oxidanylidene-3-[[5-(phenylmethyl)-4~{H}-1,2,4-triazol-3-yl]carbonylamino]-2,3-dihydro-1,5-benzoxazepine-7-carboxamide","C25 H26 N6 O4","CN1C(=O)[CH](COc2ccc(cc12)C(=O)NCC3CC3)NC(=O)c4[nH]c(Cc5ccccc5)nn4;CN1c2cc(ccc2OCC(C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C(=O)NCC5CC5","InChI=1S/C25H26N6O4/c1-31-19-12-17(23(32)26-13-16-7-8-16)9-10-20(19)35-14-18(25(31)34)27-24(33)22-28-21(29-30-22)11-15-5-3-2-4-6-15/h2-6,9-10,12,16,18H,7-8,11,13-14H2,1H3,(H,26,32)(H,27,33)(H,28,29,30)/t18-/m0/s1","","2026-03-09","2026-03-20","(3~{S})-~{N}-(cyclopropylmethyl)-5-methyl-4-oxidanylidene-3-[[5-(phenylmethyl)-4~{H}-1,2,4-triazol-3-yl]carbonylamino]-2,3-dihydro-1,5-benzoxazepine-7-carboxamide","2026-03-25"],["A1EAA","~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide","C29 H25 F N4 O4","Cc1c(C)c(Oc2ccnc(NC(=O)C3CC3)c2)ccc1NC(=O)C4=CC=CN(C4=O)c5ccc(F)cc5;Cc1c(c(ccc1NC(=O)C2=CC=CN(C2=O)c3ccc(cc3)F)Oc4ccnc(c4)NC(=O)C5CC5)C","InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)","Ripk3-IN-1","2024-07-30","2025-05-02","~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide","2025-05-07"],["JSK","(2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol","C17 H25 N7 O4","O[CH]1CN[CH](Cn2cc(nn2)c3ccc(OCCOCCNN=N)cc3)[CH]1O;c1cc(ccc1c2cn(nn2)CC3C(C(CN3)O)O)OCCOCCNN=N","InChI=1S/C17H25N7O4/c18-22-20-5-6-27-7-8-28-13-3-1-12(2-4-13)14-10-24(23-21-14)11-15-17(26)16(25)9-19-15/h1-4,10,15-17,19,25-26H,5-9,11H2,(H2,18,20)/t15-,16+,17-/m0/s1","","2019-03-22","2019-06-28","(2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol","2019-07-03"],["A1EAB","2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide","C16 H18 N2 O","CC(C)(C)[CH]=[C]=[C](Cc1cccc(c1)C#N)C(N)=O;CC(C)(C)C=C=C(Cc1cccc(c1)C#N)C(=O)N","InChI=1S/C16H18N2O/c1-16(2,3)8-7-14(15(18)19)10-12-5-4-6-13(9-12)11-17/h4-6,8-9H,10H2,1-3H3,(H2,18,19)/t7-/m0/s1","","2024-07-31","2025-07-25","2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide","2025-07-30"],["JSL","~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","C20 H23 N5 O4 S","COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1;CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)OC","InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-16(18)24-20-22-12-21-19(25-20)23-15-10-9-14(28-3)11-17(15)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25)","","2023-08-09","2024-06-21","~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","2024-06-26"],["A1EAD","SCH-900271","C14 H16 N2 O4","CC1(CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3)CC1;CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3","InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)","","2024-08-06","2025-11-13","5-[3-(1-methylcyclopropyl)propyl]-1~{H}-pyrano[2,3-d]pyrimidine-2,4,7-trione","2025-04-02"],["JSM","N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C23 H25 N7 O2","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCNC;CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4;CNCCN(C)C(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4)C","InChI=1S/C23H25N7O2/c1-24-10-12-28(2)23(32)18-14-25-29(3)21(18)22(31)26-17-9-11-30-15-19(27-20(30)13-17)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,26,31)","","2022-02-01","2022-10-07","N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["A1EAE","2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","C20 H19 N3 O6","COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3cccc(CN)c3)cc12;COc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3cccc(c3)CN","InChI=1S/C20H19N3O6/c1-28-20-15-8-13(29-12-4-2-3-11(7-12)9-21)5-6-14(15)18(26)17(23-20)19(27)22-10-16(24)25/h2-8,26H,9-10,21H2,1H3,(H,22,27)(H,24,25)","","2024-08-07","2025-06-27","2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","2025-07-02"],["JSN","(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide","C14 H15 F2 N3 O2","CN(C)C(=O)[CH]1[CH](NC(=O)N=C1C)c2ccc(F)cc2F;CC1=NC(=O)NC(C1C(=O)N(C)C)c2ccc(cc2F)F","InChI=1S/C14H15F2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)9-5-4-8(15)6-10(9)16/h4-6,11-12H,1-3H3,(H,18,21)/t11-,12-/m1/s1","","2019-03-22","2019-05-03","(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide","2019-05-08"],["JSO","2-azanyl-6-methyl-3~{H}-pteridin-4-one","C7 H7 N5 O","Cc1cnc2N=C(N)NC(=O)c2n1;Cc1cnc2c(n1)C(=O)NC(=N2)N","InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)","","2022-05-09","2024-09-27","2-azanyl-6-methyl-3~{H}-pteridin-4-one","2023-06-28"],["A1EAI","(2~{S},3~{Z})-3-ethylideneazetidine-2-carboxylic acid","C6 H9 N O2","CC=C1CN[CH]1C(O)=O;CC=C1CNC1C(=O)O","InChI=1S/C6H9NO2/c1-2-4-3-7-5(4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9)/b4-2-/t5-/m0/s1","3-Ethylidene-L-azetidine-2-carboxylic acid","2024-08-08","2025-10-03","(2~{S},3~{Z})-3-ethylideneazetidine-2-carboxylic acid","2025-10-08"],["JSP","(1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","C10 H16 N3 O7 P","C1(=CN(C(=O)N=C1N)C)C2CC(C(COP(=O)(O)O)O2)O;CN1C=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=NC1=O)N;CN1C=C(C(=NC1=O)N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O7P/c1-13-3-5(9(11)12-10(13)15)7-2-6(14)8(20-7)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","2018-09-20","2019-02-22","(1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","2019-02-27"],["A1EAP","3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile","C17 H12 Br N3 O2","CCc1nc2ccccn2c1C(=O)c3cc(Br)c(O)c(c3)C#N;CCc1c(n2ccccc2n1)C(=O)c3cc(c(c(c3)Br)O)C#N","InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3","Lingdolinurad ","2024-08-15","2025-02-21","3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile","2025-02-26"],["A1EAU","~{N}2,~{N}6-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]naphthalene-2,6-dicarboxamide","C32 H46 N2 O16","OC[CH]1O[CH](OCCOCCNC(=O)c2ccc3cc(ccc3c2)C(=O)NCCOCCO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O;c1cc(cc2c1cc(cc2)C(=O)NCCOCCOC3C(C(C(C(O3)CO)O)O)O)C(=O)NCCOCCOC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C32H46N2O16/c35-15-21-23(37)25(39)27(41)31(49-21)47-11-9-45-7-5-33-29(43)19-3-1-17-13-20(4-2-18(17)14-19)30(44)34-6-8-46-10-12-48-32-28(42)26(40)24(38)22(16-36)50-32/h1-4,13-14,21-28,31-32,35-42H,5-12,15-16H2,(H,33,43)(H,34,44)/t21-,22-,23-,24-,25+,26+,27+,28+,31+,32+/m1/s1","","2024-08-19","2024-11-29","~{N}2,~{N}6-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]naphthalene-2,6-dicarboxamide","2024-12-04"],["JSQ","2-fluoro-ATP","C10 H15 F N5 O13 P3","Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N","InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","2019-03-25","2019-09-06","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2019-09-11"],["A1EAV","1,10-phenanthroline-2,9-dicarboxylic acid","C14 H8 N2 O4","OC(=O)c1ccc2ccc3ccc(nc3c2n1)C(O)=O;c1cc2ccc(nc2c3c1ccc(n3)C(=O)O)C(=O)O","InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)","","2024-08-19","2024-11-29","1,10-phenanthroline-2,9-dicarboxylic acid","2024-12-04"],["JSR","6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H29 F N4 O","Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCCc3cccc(c3)F","InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m1/s1","","2010-06-24","2011-06-04","6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["JSS","6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H29 F N4 O","Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCCc3cccc(c3)F","InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m0/s1","","2010-06-23","2011-06-04","6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["JST","BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE","C13 H14 Cl N3 S","Clc2ccc(C1=NNC(=N/CCC=C)/SC1)cc2;Clc1ccc(cc1)C2=NNC(SC2)=NCCC=C;C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl","InChI=1S/C13H14ClN3S/c1-2-3-8-15-13-17-16-12(9-18-13)10-4-6-11(14)7-5-10/h2,4-7H,1,3,8-9H2,(H,15,17)","N-ALLYL-5-(4-CHLORO-PHENYL)-6H-1,3,4-THIADIAZIN-2-AMINE","2001-07-05","2020-06-17","N-[(2Z)-5-(4-chlorophenyl)-3,6-dihydro-2H-1,3,4-thiadiazin-2-ylidene]but-3-en-1-amine",""],["A1L1F","[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate","C50 H72 O7","CCCCCCCC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C]1C(C)(C)C[CH](C[C]1(C)O)OC(C)=O)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C;CCCCCCCC(=O)OCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C)C=CC23C(CC(CC2(O3)C)O)(C)C","InChI=1S/C50H72O7/c1-12-13-14-15-16-27-45(53)55-36-41(30-31-50-47(8,9)32-42(52)33-49(50,11)57-50)26-20-25-38(3)22-18-17-21-37(2)23-19-24-39(4)28-29-44-46(6,7)34-43(56-40(5)51)35-48(44,10)54/h17-26,28,30-31,42-43,52,54H,12-16,27,32-36H2,1-11H3/b18-17+,23-19+,25-20+,31-30+,37-21+,38-22+,39-24+,41-26-/t29-,42-,43-,48+,49+,50-/m0/s1","","2024-05-03","2025-11-28","[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate","2025-12-03"],["JSU","trichloro((3~{a}~{S},4~{S},6~{a}~{R})-4-[(5~{R})-5-oxidanyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethylamino]pentyl]-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-2-one)rhodium(3+)","C21 H32 Cl3 N3 O2 Rh S","[Cl-].[Cl-].[Cl-].[Rh+3].CC1=C(C)C(=C(C)[C-]1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C;CC12=C3([Rh+3]145([C-]2(C4(=C53C)C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)([Cl-])([Cl-])[Cl-])C","InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20;;;;/h17-18,20H,5-11H2,1-4H3,(H,22,25)(H2,23,24,26);3*1H;/q-1;;;;+3/p-3/t17-,18-,20-;;;;/m0..../s1","","2022-08-26","2025-11-11","","2024-02-28"],["JSV","methyl 2-S-beta-D-glucopyranosyl-2-thio-beta-D-glucopyranoside","C13 H24 O10 S","OC1C(OC(C(C1O)O)CO)SC2C(O)C(O)C(OC2OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;COC1C(C(C(C(O1)CO)O)O)SC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1","METHYL 2-THIO-BETA-SOPHOROSIDE","2018-09-20","2020-07-17","methyl 2-S-beta-D-glucopyranosyl-2-thio-beta-D-glucopyranoside","2019-05-29"],["A1L1O","1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one","C19 H18 F3 N O","CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F;CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F","InChI=1S/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3","","2024-05-08","2025-04-11","1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one","2025-04-16"],["JSW","[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone","C18 H21 F2 N5 O2","Cc1oc(nn1)N2CCC(CC2)C(=O)N3NCC[CH]3c4cc(F)cc(F)c4;Cc1nnc(o1)N2CCC(CC2)C(=O)N3C(CCN3)c4cc(cc(c4)F)F","InChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1","DHP77","2019-03-25","2020-06-17","[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone","2019-05-01"],["A1L1R","~{N}-(7-methyl-1,8-naphthyridin-2-yl)-2-[[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanamide","C22 H21 N7 O2","Cc1ccc2ccc(NC(=O)CNCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1;Cc1ccc2ccc(nc2n1)NC(=O)CNCC(=O)Nc3ccc4ccc(nc4n3)C","InChI=1S/C22H21N7O2/c1-13-3-5-15-7-9-17(28-21(15)24-13)26-19(30)11-23-12-20(31)27-18-10-8-16-6-4-14(2)25-22(16)29-18/h3-10,23H,11-12H2,1-2H3,(H,24,26,28,30)(H,25,27,29,31)","","2024-05-09","2025-04-25","~{N}-(7-methyl-1,8-naphthyridin-2-yl)-2-[[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanamide","2025-04-30"],["JSX","3-(4-hydroxyphenyl)benzoic acid","C13 H10 O3","OC(=O)c1cccc(c1)c2ccc(O)cc2;c1cc(cc(c1)C(=O)O)c2ccc(cc2)O","InChI=1S/C13H10O3/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8,14H,(H,15,16)","","2017-07-27","2018-01-05","3-(4-hydroxyphenyl)benzoic acid","2018-01-10"],["A1L1V","(2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C22 H32 O3","C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(C)C)C(O)=O)c23;Cc1ccc2c(c1C(C(=O)O)OC(C)(C)C)C3(CC2)CCC(CC3)C","InChI=1S/C22H32O3/c1-14-8-11-22(12-9-14)13-10-16-7-6-15(2)17(18(16)22)19(20(23)24)25-21(3,4)5/h6-7,14,19H,8-13H2,1-5H3,(H,23,24)/t14-,19?,22-","","2024-05-21","2024-07-05","(2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2024-07-10"],["JSY","6-methyl-N-(4-methylphenyl)pyrimidin-4-amine","C12 H13 N3","Cc1cc(Nc2ccc(C)cc2)ncn1;Cc1ccc(Nc2cc(C)ncn2)cc1;Cc1ccc(cc1)Nc2cc(ncn2)C","InChI=1S/C12H13N3/c1-9-3-5-11(6-4-9)15-12-7-10(2)13-8-14-12/h3-8H,1-2H3,(H,13,14,15)","","2022-02-01","2022-10-07","6-methyl-N-(4-methylphenyl)pyrimidin-4-amine","2022-10-12"],["JSZ","ethyl 4-({(2S)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate","C18 H25 N O5","O=C(OCC)c2oc1cccc(OCC(O)CNC(C)C)c1c2C;CCOC(=O)c1oc2cccc(OC[CH](O)CNC(C)C)c2c1C;CCOC(=O)c1c(c2c(o1)cccc2OCC(CNC(C)C)O)C","InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3/t13-/m0/s1","","2010-07-20","2011-06-04","ethyl 4-{[(2S)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}-3-methyl-1-benzofuran-2-carboxylate",""],["A1L1W","(2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C30 H45 N O4","C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4;Cc1cc(c2c(c1C(C(=O)O)OC(C)(C)C)C3(CC2)CCC(CC3)C)C(=O)NC4CCCCCC4","InChI=1S/C30H45NO4/c1-19-12-15-30(16-13-19)17-14-22-23(27(32)31-21-10-8-6-7-9-11-21)18-20(2)24(25(22)30)26(28(33)34)35-29(3,4)5/h18-19,21,26H,6-17H2,1-5H3,(H,31,32)(H,33,34)/t19-,26?,30-","","2024-05-21","2024-07-05","(2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2024-07-10"],["A1L1Z","Herbacetin","C15 H10 O7","Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c(O)c3O2;c1cc(ccc1C2=C(C(=O)c3c(cc(c(c3O2)O)O)O)O)O","InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H","2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one","2024-05-23","2025-05-23","2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one","2025-05-28"],["JT0","2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide","C16 H19 Cl N2 O3 S","C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2;COCCCN(C(=O)CCl)c1scc(n1)c2ccc(OC)cc2;COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl","InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3","","2019-07-10","2024-09-27","2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide","2020-01-08"],["A1L2A","2-methyl-5-(4-methylpiperazin-1-yl)-~{N}-(1-quinolin-4-ylcyclopropyl)benzamide","C25 H28 N4 O","CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccnc5ccccc45;Cc1ccc(cc1C(=O)NC2(CC2)c3ccnc4c3cccc4)N5CCN(CC5)C","InChI=1S/C25H28N4O/c1-18-7-8-19(29-15-13-28(2)14-16-29)17-21(18)24(30)27-25(10-11-25)22-9-12-26-23-6-4-3-5-20(22)23/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,27,30)","","2024-06-06","2025-06-06","2-methyl-5-(4-methylpiperazin-1-yl)-~{N}-(1-quinolin-4-ylcyclopropyl)benzamide","2025-06-11"],["JT1","(2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide","C28 H23 F7 N6 O4 S2","FC(F)(F)Oc1ccc(cc1F)CNC(=O)C6N(S(=O)(=O)c2ccc(cc2)C(F)(F)F)CCN(c3nc4nc(ncc4s3)C5CC5)C6;Fc1cc(CNC(=O)[CH]2CN(CCN2[S](=O)(=O)c3ccc(cc3)C(F)(F)F)c4sc5cnc(nc5n4)C6CC6)ccc1OC(F)(F)F;c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(CC2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6","InChI=1S/C28H23F7N6O4S2/c29-19-11-15(1-8-21(19)45-28(33,34)35)12-37-25(42)20-14-40(26-39-24-22(46-26)13-36-23(38-24)16-2-3-16)9-10-41(20)47(43,44)18-6-4-17(5-7-18)27(30,31)32/h1,4-8,11,13,16,20H,2-3,9-10,12,14H2,(H,37,42)/t20-/m1/s1","","2012-04-11","2012-08-03","(2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide",""],["JT2","4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide","C13 H18 N4 S2","C[CH](CN)Nc1cc(CS)cc2sc(cc12)C(N)=N;CC(CN)Nc1cc(cc2c1cc(s2)C(=N)N)CS","InChI=1S/C13H18N4S2/c1-7(5-14)17-10-2-8(6-18)3-11-9(10)4-12(19-11)13(15)16/h2-4,7,17-18H,5-6,14H2,1H3,(H3,15,16)/t7-/m0/s1","","2019-03-26","2024-09-27","4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide","2020-06-17"],["JT3","[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid","C20 H11 F5 N3 O5 P S","O[P](O)(=O)C=Cc1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34;c1cc(c(c(c1)Sc2c[nH]c3c2N=CNC3=O)C=CP(=O)(O)O)Oc4c(c(c(c(c4F)F)F)F)F","InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b5-4+","","2022-05-09","2023-05-12","[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid","2023-05-17"],["A1L2F","[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate","C46 H90 O16 P2","CCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O","InChI=1S/C46H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h38,41-46,49-52H,3-37H2,1-2H3,(H,56,57)(H2,53,54,55)/t38-,41-,42+,43-,44-,45-,46+/m1/s1","","2024-06-13","2025-03-07","[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate","2025-03-12"],["JT4","~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","C20 H23 N5 O4 S","COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1;CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(ccc3OC)OC","InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-15(18)23-19-21-12-22-20(25-19)24-16-11-14(28-3)9-10-17(16)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25)","","2023-08-09","2024-06-21","~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","2024-06-26"],["JT5","N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide","C16 H18 N2 O5 S","O=C(NO)CN(CCO)S(=O)(=O)c2ccc(c1ccccc1)cc2;OCCN(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO","InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)","","2007-08-14","2011-06-04","N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide",""],["A1L2P","(2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid","C26 H29 N3 O4","COc1nc(OCc2cccc(c2C)c3ccccc3)ncc1CN4CCCC[CH]4C(O)=O;Cc1c(cccc1c2ccccc2)COc3ncc(c(n3)OC)CN4CCCCC4C(=O)O","InChI=1S/C26H29N3O4/c1-18-20(11-8-12-22(18)19-9-4-3-5-10-19)17-33-26-27-15-21(24(28-26)32-2)16-29-14-7-6-13-23(29)25(30)31/h3-5,8-12,15,23H,6-7,13-14,16-17H2,1-2H3,(H,30,31)/t23-/m0/s1","","2024-07-03","2025-06-27","(2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid","2025-07-02"],["JT6","3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide","C16 H14 N2 O3","N#Cc2ccc(c1ccc(OCCC(=O)NO)cc1)cc2;ONC(=O)CCOc1ccc(cc1)c2ccc(cc2)C#N;c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO","InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)","","2007-08-14","2011-06-04","3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide",""],["A1L2U","1-(6-azanylhexanoyl)pyrrolidine-2-carboxylic acid","C11 H20 N2 O3","NCCCCCC(=O)N1CCC[CH]1C(O)=O;C1CC(N(C1)C(=O)CCCCCN)C(=O)O","InChI=1S/C11H20N2O3/c12-7-3-1-2-6-10(14)13-8-4-5-9(13)11(15)16/h9H,1-8,12H2,(H,15,16)/t9-/m1/s1","","2024-07-09","2025-10-31","1-(6-azanylhexanoyl)pyrrolidine-2-carboxylic acid","2025-11-05"],["JT7","N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide","C19 H30 B Cl N2 O5","Clc1c(C(NC(C(NC(CC(C)C)B(O)O)=O)CC(C)C)=O)ccc(OC)c1;COc1ccc(C(=O)N[CH](CC(C)C)C(=O)N[CH](CC(C)C)B(O)O)c(Cl)c1;B(C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O","InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1","","2017-11-01","2024-09-27","N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide","2019-06-26"],["A1L2V","(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one","C15 H11 Cl O4","Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2;c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Cl)O","InChI=1S/C15H11ClO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+","","2024-07-09","2024-10-04","(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one","2024-10-09"],["JT8","(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione","C33 H48 N4 O4","O[CH]1CC(=O)N[CH](Cc2ccccn2)C(=O)NCCCCCCCCCCCCCC(=O)N[CH]1Cc3ccccc3;c1ccc(cc1)CC2C(CC(=O)NC(C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O","InChI=1S/C33H48N4O4/c38-30-25-32(40)37-29(24-27-19-14-16-21-34-27)33(41)35-22-15-9-7-5-3-1-2-4-6-8-13-20-31(39)36-28(30)23-26-17-11-10-12-18-26/h10-12,14,16-19,21,28-30,38H,1-9,13,15,20,22-25H2,(H,35,41)(H,36,39)(H,37,40)/t28-,29-,30-/m0/s1","","2019-03-26","2021-04-02","(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione","2021-04-07"],["JT9","3-{2-[(4S)-6,8-dichloro-5-methyl[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl}quinoxalin-2(1H)-one","C17 H13 Cl2 N5 O","O=C1Nc2ccccc2N=C1CCc1nc2c(Cl)cc(Cl)c(C)n2n1;Cc1n2nc(CCC3=Nc4ccccc4NC3=O)nc2c(Cl)cc1Cl;Cc1c(cc(c2n1nc(n2)CCC3=Nc4ccccc4NC3=O)Cl)Cl","InChI=1S/C17H13Cl2N5O/c1-9-10(18)8-11(19)16-22-15(23-24(9)16)7-6-14-17(25)21-13-5-3-2-4-12(13)20-14/h2-5,8H,6-7H2,1H3,(H,21,25)","","2022-02-01","2022-10-07","3-{2-[(4S)-6,8-dichloro-5-methyl[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl}quinoxalin-2(1H)-one","2022-10-12"],["A1L2W","(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one","C15 H11 Br O4","Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Br)c2;c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Br)O","InChI=1S/C15H11BrO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+","","2024-07-09","2024-10-04","(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one","2024-10-09"],["JTA","4-hydroxy-8-nitroquinoline-3-carboxylic acid","C10 H6 N2 O5","c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-];OC(=O)c1cnc2c(cccc2[N+]([O-])=O)c1O;c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O","InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)","","2018-09-21","2019-06-28","4-hydroxy-8-nitroquinoline-3-carboxylic acid","2019-07-03"],["A1L2Z","7-Hydroxy-4-methoxymethylcoumarin","C11 H10 O4","COCC1=CC(=O)Oc2cc(O)ccc12;COCC1=CC(=O)Oc2c1ccc(c2)O","InChI=1S/C11H10O4/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5,12H,6H2,1H3","4-(methoxymethyl)-7-oxidanyl-chromen-2-one","2024-07-12","2025-01-24","4-(methoxymethyl)-7-oxidanyl-chromen-2-one","2025-01-29"],["A1L3A","bozitinib","C20 H15 F3 N8","Cn1cc2cc(c(F)cc2n1)C(F)(F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6;Cn1cc2cc(c(cc2n1)F)C(c3nnc4n3nc(cc4)c5cnn(c5)C6CC6)(F)F","InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3","9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene; Vebreltinib","2024-07-24","2025-01-17","3-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine","2025-01-22"],["JTB","4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol","C8 H6 Cl N3 O","Oc1ccc(Cl)cc1c2cn[nH]n2;c1cc(c(cc1Cl)c2cn[nH]n2)O","InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)","MMG-0358","2019-03-26","2021-03-01","4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol","2019-10-02"],["A1L3B","4-[(2~{S})-1-[[(~{R})-[(3~{S})-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-3-yl]-phenyl-methyl]amino]propan-2-yl]benzenecarbonitrile","C28 H28 N6 O","C[CH](CN[CH]([CH]1CNc2cc(cnc2O1)c3cnn(C)c3)c4ccccc4)c5ccc(cc5)C#N;CC(CNC(c1ccccc1)C2CNc3cc(cnc3O2)c4cnn(c4)C)c5ccc(cc5)C#N","InChI=1S/C28H28N6O/c1-19(21-10-8-20(13-29)9-11-21)14-31-27(22-6-4-3-5-7-22)26-17-30-25-12-23(15-32-28(25)35-26)24-16-33-34(2)18-24/h3-12,15-16,18-19,26-27,30-31H,14,17H2,1-2H3/t19-,26+,27-/m1/s1","","2024-07-26","2025-07-18","4-[(2~{S})-1-[[(~{R})-[(3~{S})-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-3-yl]-phenyl-methyl]amino]propan-2-yl]benzenecarbonitrile","2025-07-23"],["JTC","[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid","C20 H11 F5 N3 O5 P S","O[P](O)(=O)C=Cc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc3c[nH]c4C(=O)NC=Nc34;c1cc(c(cc1Oc2c(c(c(c(c2F)F)F)F)F)C=CP(=O)(O)O)Sc3c[nH]c4c3N=CNC4=O","InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b4-3+","","2022-05-09","2023-05-12","[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid","2023-05-17"],["A1L3E","4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-~{N}-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide","C26 H27 Br N2 O5","CCOc1cc(cc(Br)c1O)[CH]2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4OC;CCOc1cc(cc(c1O)Br)C2C3=C(CCCC3=O)NC(=C2C(=O)Nc4ccccc4OC)C","InChI=1S/C26H27BrN2O5/c1-4-34-21-13-15(12-16(27)25(21)31)23-22(14(2)28-18-9-7-10-19(30)24(18)23)26(32)29-17-8-5-6-11-20(17)33-3/h5-6,8,11-13,23,28,31H,4,7,9-10H2,1-3H3,(H,29,32)","","2024-08-02","2024-12-27","4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-~{N}-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide","2025-01-01"],["JTD","N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","C54 H105 N O9","C2(OC(CO)C(OCC1CC1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCC2CC2)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCC2CC2)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C54H105NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-49(58)55-46(50(59)47(57)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-63-54-52(61)51(60)53(48(42-56)64-54)62-43-45-40-41-45/h45-48,50-54,56-57,59-61H,3-44H2,1-2H3,(H,55,58)/t46-,47+,48+,50-,51+,52+,53-,54-/m0/s1","","2018-09-21","2019-01-04","N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","2019-01-09"],["JTE","(2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid","C17 H17 F O2","C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(C)cc(C)c2;Cc1cc(cc(c1)c2ccc(cc2F)C(C)C(=O)O)C","InChI=1S/C17H17FO2/c1-10-6-11(2)8-14(7-10)15-5-4-13(9-16(15)18)12(3)17(19)20/h4-9,12H,1-3H3,(H,19,20)/t12-/m1/s1","","2019-03-26","2019-09-06","(2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid","2019-09-11"],["A1L3F","(5-chloranylpyridin-2-yl)methanamine","C6 H7 Cl N2","NCc1ccc(Cl)cn1;c1cc(ncc1Cl)CN","InChI=1S/C6H7ClN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3,8H2","","2024-08-02","2025-05-23","(5-chloranylpyridin-2-yl)methanamine","2025-05-28"],["A1L3P","5-Carboxymethylaminomethyluridine","C12 H18 N3 O11 P","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(CNCC(O)=O)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)CNCC(=O)O","InChI=1S/C12H18N3O11P/c16-7(17)2-13-1-5-3-15(12(21)14-10(5)20)11-9(19)8(18)6(26-11)4-25-27(22,23)24/h3,6,8-9,11,13,18-19H,1-2,4H2,(H,16,17)(H,14,20,21)(H2,22,23,24)/t6-,8-,9-,11-/m1/s1","2-[[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methylamino]ethanoic acid","2024-08-16","2025-07-18","2-[[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methylamino]ethanoic acid","2025-07-23"],["JTF","8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one","C14 H19 N3 O","CN(C)CCNc1cccc2C=C(C)C(=O)Nc12;CC1=Cc2cccc(c2NC1=O)NCCN(C)C","InChI=1S/C14H19N3O/c1-10-9-11-5-4-6-12(13(11)16-14(10)18)15-7-8-17(2)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)","","2015-06-20","2015-07-17","8-[2-(dimethylamino)ethylamino]-3-methyl-1H-quinolin-2-one","2015-07-22"],["A1L3Q","CpY","C17 H25 N O2","CCN(CC)[CH](CO)c1cccc2c(C)c(CC)oc12;CCc1c(c2cccc(c2o1)C(CO)N(CC)CC)C","InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1","(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol","2024-08-16","2024-11-22","(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol","2024-11-27"],["JTG","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(prop-2-en-1-yl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","C53 H103 N O9","C1(C(OC(C(C1O)OC[C@H]=C)CO)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCC=C)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCC=C)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C53H103NO9/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(57)54-45(44-62-53-51(60)50(59)52(61-42-6-3)47(43-55)63-53)49(58)46(56)40-38-36-34-32-30-18-16-14-12-10-8-5-2/h6,45-47,49-53,55-56,58-60H,3-5,7-44H2,1-2H3,(H,54,57)/t45-,46+,47+,49-,50+,51+,52-,53-/m0/s1","","2018-09-21","2019-01-04","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(prop-2-en-1-yl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","2019-01-09"],["A1L3S","(3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one","C29 H29 F3 N4 O3","CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5C[CH](F)C(=O)N5c6ccc(F)c(F)c6;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CC(C(=O)N5c6ccc(c(c6)F)F)F","InChI=1S/C29H29F3N4O3/c1-15-27(16(2)39-34-15)17-4-11-25-24(12-17)33-28(35(25)18-5-8-20(38-3)9-6-18)26-14-23(32)29(37)36(26)19-7-10-21(30)22(31)13-19/h4,7,10-13,18,20,23,26H,5-6,8-9,14H2,1-3H3/t18-,20-,23-,26-/m0/s1","","2024-08-19","2024-10-11","(3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one","2024-10-16"],["JTH","2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one","C10 H12 O3","O=C1C(O)=CC=C(C=C1O)C(C)C;CC(C)C1=CC=C(O)C(=O)C(=C1)O;CC(C)C1=CC=C(C(=O)C(=C1)O)O","InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)","beta-thujaplicinol","2009-07-29","2020-06-17","2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one",""],["A1L3V","(7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione","C27 H31 N O9","CC[C]1(O)C[CH](O[CH]2C[CH](N)[CH](O)[CH](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1;CCC1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)C(C1)OC5CC(C(C(O5)C)O)N)O","InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1","","2024-08-21","2024-11-01","(7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione","2024-11-06"],["JTI","2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile","C21 H23 Cl N4 O3","COCCn1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13;COCCn1c2cc(ccc2nc1NCC(COc3ccc(cc3)CC#N)O)Cl","InChI=1S/C21H23ClN4O3/c1-28-11-10-26-20-12-16(22)4-7-19(20)25-21(26)24-13-17(27)14-29-18-5-2-15(3-6-18)8-9-23/h2-7,12,17,27H,8,10-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1","","2023-08-09","2024-01-12","2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile","2024-01-17"],["A1L3Y","~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide","C22 H32 N6 O7","NCCOCCOCCOCCNC(=O)CN1C=C2Oc3cccc(OCCN)c3NC2=NC1=O;c1cc2c(c(c1)OCCN)NC3=NC(=O)N(C=C3O2)CC(=O)NCCOCCOCCOCCN","InChI=1S/C22H32N6O7/c23-4-7-31-10-12-33-13-11-32-9-6-25-19(29)15-28-14-18-21(27-22(28)30)26-20-16(34-8-5-24)2-1-3-17(20)35-18/h1-3,14H,4-13,15,23-24H2,(H,25,29)(H,26,27,30)","","2024-08-22","2025-01-10","~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide","2025-01-15"],["JTJ","N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[(4-methylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide","C58 H107 N O9","O(CC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C1C(C(C(C(O1)CO)OCc2ccc(cc2)C)O)O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCc2ccc(C)cc2)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCc2ccc(cc2)C)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C58H107NO9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-53(62)59-50(54(63)51(61)39-37-35-33-31-29-17-15-13-11-9-7-5-2)47-67-58-56(65)55(64)57(52(45-60)68-58)66-46-49-43-41-48(3)42-44-49/h41-44,50-52,54-58,60-61,63-65H,4-40,45-47H2,1-3H3,(H,59,62)/t50-,51+,52+,54-,55+,56+,57-,58-/m0/s1","","2018-09-21","2019-01-04","N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[(4-methylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide","2019-01-09"],["A1L3Z","(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol","C6 H13 N O4","OC[CH](O)[CH]1NC[CH](O)[CH]1O;C1C(C(C(N1)C(CO)O)O)O","InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4+,5-,6+/m0/s1","","2024-08-22","2024-11-22","(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol","2024-11-27"],["JTK","(2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid","C15 H11 Cl2 F O2","C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(Cl)cc(Cl)c2;CC(c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O","InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)/t8-/m1/s1","","2019-03-26","2019-09-06","(2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid","2019-09-11"],["JTL","N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide","C14 H11 N3 O S","O=C(NCc1cccs1)c1cc2nccnc2cc1;O=C(NCc1sccc1)c2ccc3nccnc3c2;c1cc(sc1)CNC(=O)c2ccc3c(c2)nccn3","InChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)","","2022-02-01","2022-10-07","N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide","2022-10-12"],["A1L4B","(2S)-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid","C5 H8 N2 O4","N[CH](CCC(=O)N=O)C(O)=O;C(CC(=O)N=O)C(C(=O)O)N","InChI=1S/C5H8N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3H,1-2,6H2,(H,9,10)/t3-/m0/s1","","2024-09-19","2024-09-27","(2~{S})-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid","2024-10-02"],["JTM","N-[(2S,3S,4R)-1-({4-O-[(4-chlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","C57 H104 Cl N O9","C2(OC(CO)C(OCc1ccc(Cl)cc1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCc2ccc(Cl)cc2)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCc2ccc(cc2)Cl)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C57H104ClNO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(62)59-49(53(63)50(61)38-36-34-32-30-28-16-14-12-10-8-6-4-2)46-67-57-55(65)54(64)56(51(44-60)68-57)66-45-47-40-42-48(58)43-41-47/h40-43,49-51,53-57,60-61,63-65H,3-39,44-46H2,1-2H3,(H,59,62)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1","","2018-09-21","2019-01-04","N-[(2S,3S,4R)-1-({4-O-[(4-chlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","2019-01-09"],["JTN","1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid","C16 H11 Cl2 F O2","OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3;c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl","InChI=1S/C16H11Cl2FO2/c17-11-5-9(6-12(18)8-11)13-2-1-10(7-14(13)19)16(3-4-16)15(20)21/h1-2,5-8H,3-4H2,(H,20,21)","","2019-03-27","2019-09-06","1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid","2019-09-11"],["A1L4E","5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol","C13 H6 F7 N O2","Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1;c1cc(c(cc1N)O)Oc2c(c(c(c(c2F)F)C(F)(F)F)F)F","InChI=1S/C13H6F7NO2/c14-8-7(13(18,19)20)9(15)11(17)12(10(8)16)23-6-2-1-4(21)3-5(6)22/h1-3,22H,21H2","","2024-09-26","2025-02-21","5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol","2025-02-26"],["A1L4F","5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol","C22 H23 F7 N2 O3","Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F;c1cc(c(cc1NCCCCCN2CCOCC2)O)Oc3c(c(c(c(c3F)F)C(F)(F)F)F)F","InChI=1S/C22H23F7N2O3/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)34-15-5-4-13(12-14(15)32)30-6-2-1-3-7-31-8-10-33-11-9-31/h4-5,12,30,32H,1-3,6-11H2","","2024-09-26","2025-02-21","5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol","2025-02-26"],["JTO","[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid","C13 H12 N3 O5 P S","O[P](O)(=O)COc1ccccc1Sc2c[nH]c3C(=O)NC=Nc23;c1ccc(c(c1)OCP(=O)(O)O)Sc2c[nH]c3c2N=CNC3=O","InChI=1S/C13H12N3O5PS/c17-13-12-11(15-6-16-13)10(5-14-12)23-9-4-2-1-3-8(9)21-7-22(18,19)20/h1-6,14H,7H2,(H,15,16,17)(H2,18,19,20)","","2022-05-09","2023-05-12","[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid","2023-05-17"],["A1L4H","4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide","C28 H39 N3 O3","C[CH]1CN(CCN1)Cc2ccc(cc2C)N(C)C(=O)[CH]3CC[CH](CC3)Oc4cccc(CO)c4;Cc1cc(ccc1CN2CCNC(C2)C)N(C)C(=O)C3CCC(CC3)Oc4cccc(c4)CO","InChI=1S/C28H39N3O3/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3/t21-,23-,26-/m0/s1","DS-3801b","2024-10-01","2025-05-23","4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide","2025-05-28"],["JTP","N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE","C27 H30 N2 O4","O=C(O)C(NC(=O)c5cc1c(c(c2n1CCOc3ccccc23)C4CCCCC4)cc5)(C)C;CC(C)(NC(=O)c1ccc2c(c1)n3CCOc4ccccc4c3c2C5CCCCC5)C(O)=O;CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3","InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)","2-[(12-CYCLOHEXYL-6,7-DIHYDRO-5-OXA-7A-AZA-DIBENZO[A,E]AZULENE-9-CARBONYL)-AMINO]-2-METHYL-PROPIONIC ACID","2006-09-01","2020-06-17","N-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-D-alanine",""],["A1L4O","(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol","C40 H56 O3","CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC=C(C)C=C[CH](O)C(C)(C)O;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)O)C)C","InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15-,26-24+,27-25-,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1","","2024-10-03","2025-07-25","(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol","2025-07-30"],["JTQ","5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine","C13 H10 Cl2 N4","Cn1cc(c2ccc(Cl)c(Cl)c12)c3cncnc3N;Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N","InChI=1S/C13H10Cl2N4/c1-19-5-9(8-4-17-6-18-13(8)16)7-2-3-10(14)11(15)12(7)19/h2-6H,1H3,(H2,16,17,18)","","2019-03-27","2020-05-01","5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine","2020-05-06"],["JTR","~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","C19 H21 N5 O3 S","COc1ccccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2;CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccccc3OC","InChI=1S/C19H21N5O3S/c1-13(2)28(25,26)17-11-7-5-9-15(17)23-19-21-12-20-18(24-19)22-14-8-4-6-10-16(14)27-3/h4-13H,1-3H3,(H2,20,21,22,23,24)","","2023-08-09","2024-06-21","~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","2024-06-26"],["A1L4U","methyl 2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxidanylidene-pyrimidin-5-yl]ethanoate","C12 H17 N2 O10 P","COC(=O)CC1=CN(C=NC1=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;COC(=O)CC1=CN(C=NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C12H17N2O10P/c1-22-8(15)2-6-3-14(5-13-11(6)18)12-10(17)9(16)7(24-12)4-23-25(19,20)21/h3,5,7,9-10,12,16-17H,2,4H2,1H3,(H2,19,20,21)","5-methoxycarbonylmethyl-2-deoxouridine","2024-10-09","2026-03-06","methyl 2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxidanylidene-pyrimidin-5-yl]ethanoate","2026-03-11"],["JTS","4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide","C15 H12 N2 O S","O=C(Nc2cc1ccccc1cc2)c3scnc3C;Cc1ncsc1C(=O)Nc2ccc3ccccc3c2;Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2","InChI=1S/C15H12N2OS/c1-10-14(19-9-16-10)15(18)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,17,18)","","2013-04-02","2014-03-21","4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide","2014-03-26"],["A1L4V","2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid","C18 H17 N3 O6 S","CC(C)(NC(=O)C1=C(O)c2ccccc2N(OCc3cscn3)C1=O)C(O)=O;CC(C)(C(=O)O)NC(=O)C1=C(c2ccccc2N(C1=O)OCc3cscn3)O","InChI=1S/C18H17N3O6S/c1-18(2,17(25)26)20-15(23)13-14(22)11-5-3-4-6-12(11)21(16(13)24)27-7-10-8-28-9-19-10/h3-6,8-9,22H,7H2,1-2H3,(H,20,23)(H,25,26)","","2024-10-09","2025-04-25","2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid","2025-04-30"],["JTT","2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide","C16 H14 N2 O S","O=C(c1sc(nc1C)C)Nc3cc2ccccc2cc3;Cc1sc(C(=O)Nc2ccc3ccccc3c2)c(C)n1;Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2","InChI=1S/C16H14N2OS/c1-10-15(20-11(2)17-10)16(19)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,18,19)","","2013-04-02","2014-03-21","2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide","2014-03-26"],["A1L4W","[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid","C18 H22 N O5 P","ON(CCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O;c1ccc(cc1)CCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O","InChI=1S/C18H22NO5P/c20-18(19(21)14-13-15-7-3-1-4-8-15)12-11-17(25(22,23)24)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H2,22,23,24)/t17-/m0/s1","","2024-10-15","2025-10-17","[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid","2025-10-22"],["JTU","6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid","C21 H20 Br N O2","O=C(O)c1c3cc(Br)ccc3nc(c1C)c2ccc(cc2)C(C)CC;CC[CH](C)c1ccc(cc1)c2nc3ccc(Br)cc3c(C(O)=O)c2C;CCC(C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C","InChI=1S/C21H20BrNO2/c1-4-12(2)14-5-7-15(8-6-14)20-13(3)19(21(24)25)17-11-16(22)9-10-18(17)23-20/h5-12H,4H2,1-3H3,(H,24,25)/t12-/m1/s1","","2013-04-02","2014-03-21","6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid","2014-03-26"],["A1L54","Coumarin 153","C16 H14 F3 N O2","FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34;c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CCC2","InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2","6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one","2024-11-19","2025-02-28","6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one","2025-03-05"],["JTV","N-{(2S,3S,4R)-1-[(4-O-benzyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide","C57 H105 N O9","C1(OC(C(C(C1OCc2ccccc2)O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CO;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCc2ccccc2)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCc2ccccc2)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C57H105NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-40-44-52(61)58-49(53(62)50(60)43-39-34-32-30-28-16-14-12-10-8-6-4-2)47-66-57-55(64)54(63)56(51(45-59)67-57)65-46-48-41-37-36-38-42-48/h36-38,41-42,49-51,53-57,59-60,62-64H,3-35,39-40,43-47H2,1-2H3,(H,58,61)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1","","2018-09-21","2019-01-04","N-{(2S,3S,4R)-1-[(4-O-benzyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide","2019-01-09"],["A1L57","~{N}-[(~{E},2~{S})-4-cyclopropyl-1-[(6-ethoxypyridin-3-yl)amino]-1-oxidanylidene-but-3-en-2-yl]-4-(pyridin-4-ylamino)benzamide","C26 H27 N5 O3","CCOc1ccc(NC(=O)[CH](NC(=O)c2ccc(Nc3ccncc3)cc2)C=CC4CC4)cn1;CCOc1ccc(cn1)NC(=O)C(C=CC2CC2)NC(=O)c3ccc(cc3)Nc4ccncc4","InChI=1S/C26H27N5O3/c1-2-34-24-12-10-22(17-28-24)30-26(33)23(11-5-18-3-4-18)31-25(32)19-6-8-20(9-7-19)29-21-13-15-27-16-14-21/h5-18,23H,2-4H2,1H3,(H,27,29)(H,30,33)(H,31,32)/b11-5+/t23-/m0/s1","","2024-11-22","2025-05-16","~{N}-[(~{E},2~{S})-4-cyclopropyl-1-[(6-ethoxypyridin-3-yl)amino]-1-oxidanylidene-but-3-en-2-yl]-4-(pyridin-4-ylamino)benzamide","2025-05-21"],["JTW","4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide","C15 H15 Cl N2 O6 S2","N[S](=O)(=O)c1cc(C(=O)NCCO)c(cc1Cl)[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl","InChI=1S/C15H15ClN2O6S2/c16-12-9-13(25(21,22)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)26(17,23)24/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,23,24)","","2019-03-27","2020-04-03","4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide","2020-04-08"],["JTX","(4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine","C16 H19 F3 N8","FC(F)(F)c1cnc(C)n2nc(nc12)CCc1nc(nn1C)N1CCCC1;Cn1nc(nc1CCc2nn3c(C)ncc(c3n2)C(F)(F)F)N4CCCC4;Cc1ncc(c2n1nc(n2)CCc3nc(nn3C)N4CCCC4)C(F)(F)F","InChI=1S/C16H19F3N8/c1-10-20-9-11(16(17,18)19)14-21-12(23-27(10)14)5-6-13-22-15(24-25(13)2)26-7-3-4-8-26/h9H,3-8H2,1-2H3","","2022-02-01","2022-10-07","(4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine","2022-10-12"],["A1L58","~{N}-[(2~{S})-1-[[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]amino]-1-oxidanylidene-hexan-2-yl]-3-(pyridin-4-ylamino)benzamide","C29 H36 N6 O3","CCCC[CH](NC(=O)c1cccc(Nc2ccncc2)c1)C(=O)Nc3ccc(OC4CCN(C)CC4)nc3;CCCCC(C(=O)Nc1ccc(nc1)OC2CCN(CC2)C)NC(=O)c3cccc(c3)Nc4ccncc4","InChI=1S/C29H36N6O3/c1-3-4-8-26(34-28(36)21-6-5-7-23(19-21)32-22-11-15-30-16-12-22)29(37)33-24-9-10-27(31-20-24)38-25-13-17-35(2)18-14-25/h5-7,9-12,15-16,19-20,25-26H,3-4,8,13-14,17-18H2,1-2H3,(H,30,32)(H,33,37)(H,34,36)/t26-/m0/s1","","2024-11-22","2025-05-16","~{N}-[(2~{S})-1-[[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]amino]-1-oxidanylidene-hexan-2-yl]-3-(pyridin-4-ylamino)benzamide","2025-05-21"],["A1L59","iptriazopyrid","C15 H15 F3 N6 O4 S","CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F;Cc1nnc(o1)NC(=O)c2ccc(n3c2nnc3CS(=O)(=O)C(C)C)C(F)(F)F","InChI=1S/C15H15F3N6O4S/c1-7(2)29(26,27)6-11-21-22-12-9(4-5-10(24(11)12)15(16,17)18)13(25)19-14-23-20-8(3)28-14/h4-5,7H,6H2,1-3H3,(H,19,23,25)","~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","2024-11-22","2025-06-20","~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","2025-06-25"],["JTY","5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid","C10 H8 N2 O4 S2","OC(=O)c1ncsc1N[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O","InChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)","","2017-01-24","2018-03-09","5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid","2018-03-14"],["A1L5Q","ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate","C22 H23 F3 N4 O3","CCOC(=O)N1CCC(CC1)c2cc(O)n3nc(C)c(c4ccc(cc4)C(F)(F)F)c3n2;CCOC(=O)N1CCC(CC1)c2cc(n3c(n2)c(c(n3)C)c4ccc(cc4)C(F)(F)F)O","InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3","","2024-11-08","2025-10-03","ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate","2025-10-08"],["JTZ","(2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol","C15 H23 N O2","O(c1ccccc1CC=C)CC(O)CNC(C)C;CC(C)NC[CH](O)COc1ccccc1CC=C;CC(C)NCC(COc1ccccc1CC=C)O","InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1","","2010-07-20","2011-06-04","(2S)-1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol",""],["JU0","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C19 H16 Br F3 N4 O4 S","OC[CH]1O[CH](Sc2cncc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1c(cc(c(c1F)F)F)c2cn(nn2)C3C(C(OC(C3O)Sc4cc(cnc4)Br)CO)O","InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1","5-Bromopyridin-3-yl 3-deoxy-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-alpha-D-galactopyranoside","2022-05-09","2022-10-28","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2022-11-02"],["A1L5R","1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one","C16 H14 O5","COc1c(O)c(O)ccc1C=CC(=O)c2ccc(O)cc2;COc1c(ccc(c1O)O)C=CC(=O)c2ccc(cc2)O","InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4-","Licochalcone B","2024-11-08","2025-11-07","1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one","2025-11-12"],["A1L5V","6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one","C22 H21 F N6 O5","CN1C(=O)C=Cc2ccc(F)c(CCNC[CH]3CN(C(=O)O3)c4cnc5OCC(=O)Nc5n4)c12;CN1c2c(ccc(c2CCNCC3CN(C(=O)O3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O","InChI=1S/C22H21FN6O5/c1-28-18(31)5-3-12-2-4-15(23)14(19(12)28)6-7-24-8-13-10-29(22(32)34-13)16-9-25-21-20(26-16)27-17(30)11-33-21/h2-5,9,13,24H,6-8,10-11H2,1H3,(H,26,27,30)","BWC0977","2024-11-13","2025-11-07","6-[(5~{S})-5-[[2-(7-fluoranyl-1-methyl-2-oxidanylidene-quinolin-8-yl)ethylamino]methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-4~{H}-pyrazino[2,3-b][1,4]oxazin-3-one","2025-11-12"],["JU1","N-[(2S,3S,4R)-1-({4-O-[(4-tert-butylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","C61 H113 N O9","C2(OC(CO)C(OCc1ccc(C(C)(C)C)cc1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCc2ccc(cc2)C(C)(C)C)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C61H113NO9/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-55(65)62-52(56(66)53(64)41-39-37-35-33-31-19-17-15-13-11-9-7-2)49-70-60-58(68)57(67)59(54(47-63)71-60)69-48-50-43-45-51(46-44-50)61(3,4)5/h43-46,52-54,56-60,63-64,66-68H,6-42,47-49H2,1-5H3,(H,62,65)/t52-,53+,54+,56-,57+,58+,59-,60-/m0/s1","","2018-09-21","2019-01-04","N-[(2S,3S,4R)-1-({4-O-[(4-tert-butylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","2019-01-09"],["A1L5Z","4-oxidanyl-6-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid","C21 H16 N2 O9 S2","Oc1cc(cc2ccc(NC(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O)cc12)[S](O)(=O)=O;c1cc(cc2c1cc(cc2O)S(=O)(=O)O)NC(=O)Nc3ccc4cc(cc(c4c3)O)S(=O)(=O)O","InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)5-11-1-3-13(7-17(11)19)22-21(26)23-14-4-2-12-6-16(34(30,31)32)10-20(25)18(12)8-14/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)","NSC-37204","2024-11-14","2026-01-23","4-oxidanyl-6-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid","2026-01-28"],["JU2","2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C7 H4 Br N5 O","N#Cc1c(Br)nc2N=C(NC(=O)c12)N;NC1=Nc2[nH]c(Br)c(C#N)c2C(=O)N1;C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N","InChI=1S/C7H4BrN5O/c8-4-2(1-9)3-5(11-4)12-7(10)13-6(3)14/h(H4,10,11,12,13,14)","","2007-12-20","2011-06-04","2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["A1L6A","[(~{S})-(3-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid","C16 H26 N O6 P S","CCCCCCOc1cccc(c1)[CH](SCC(=O)N(C)O)[P](O)(O)=O;CCCCCCOc1cccc(c1)C(P(=O)(O)O)SCC(=O)N(C)O","InChI=1S/C16H26NO6PS/c1-3-4-5-6-10-23-14-9-7-8-13(11-14)16(24(20,21)22)25-12-15(18)17(2)19/h7-9,11,16,19H,3-6,10,12H2,1-2H3,(H2,20,21,22)/t16-/m0/s1","","2024-11-25","2025-05-16","[(~{S})-(3-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid","2025-05-21"],["JU3","3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","C20 H18 O6","CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O;CC(=CCc1c(ccc(c1O)C2=COc3cc(cc(c3C2=O)O)O)O)C","InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3","Licoisoflavone A","2022-08-27","2023-07-07","3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","2023-07-12"],["A1L6B","Glecirasib bound form","C31 H26 Cl F4 N7 O2","CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CCN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(F)c(F)c(F)c5F)C#N;Cc1ccnc(c1N2c3c(cc(c(n3)c4c(c(c(c(c4F)F)F)F)N)Cl)C(=C(C2=O)C#N)N5CCN(CC5)C(=O)C=C)C(C)C","InChI=1S/C31H26ClF4N7O2/c1-5-19(44)41-8-10-42(11-9-41)29-16-12-18(32)27(20-21(33)22(34)23(35)24(36)25(20)38)40-30(16)43(31(45)17(29)13-37)28-15(4)6-7-39-26(28)14(2)3/h5-7,12,14H,1,8-11,38H2,2-4H3","7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile","2024-11-25","2025-11-17","7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile","2025-03-12"],["JU4","N-[(2S,3S,4R)-1-({4-O-[(3,4-dichlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","C57 H103 Cl2 N O9","C2(OCc1cc(Cl)c(Cl)cc1)C(OC(C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CO;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCc2ccc(Cl)c(Cl)c2)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C57H103Cl2NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(63)60-49(53(64)50(62)38-36-34-32-30-28-16-14-12-10-8-6-4-2)45-68-57-55(66)54(65)56(51(43-61)69-57)67-44-46-40-41-47(58)48(59)42-46/h40-42,49-51,53-57,61-62,64-66H,3-39,43-45H2,1-2H3,(H,60,63)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1","","2018-09-21","2019-01-04","N-[(2S,3S,4R)-1-({4-O-[(3,4-dichlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","2019-01-09"],["A1L6C","7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile","C31 H27 Cl3 F N7 O2","CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CCN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(Cl)cc(Cl)c5F)C#N;Cc1ccnc(c1N2c3c(cc(c(n3)c4c(c(cc(c4F)Cl)Cl)N)Cl)C(=C(C2=O)C#N)N5CCN(CC5)C(=O)C=C)C(C)C","InChI=1S/C31H27Cl3FN7O2/c1-5-22(43)40-8-10-41(11-9-40)29-17-12-21(34)27(23-24(35)19(32)13-20(33)25(23)37)39-30(17)42(31(44)18(29)14-36)28-16(4)6-7-38-26(28)15(2)3/h5-7,12-13,15H,1,8-11,37H2,2-4H3","","2024-11-26","2025-03-07","7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile","2025-03-12"],["JU5","~{N}-[[(3~{S})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide","C38 H45 N5 O3 S","CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3scc(CN4CCC[CH](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5)n3;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCCC(C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5","InChI=1S/C38H45N5O3S/c1-5-42(6-2)33-16-15-30-21-34(38(45)46-35(30)22-33)36-39-32(26-47-36)25-41-17-9-10-27(23-41)24-43(19-18-40(3)4)37(44)31-14-13-28-11-7-8-12-29(28)20-31/h7-8,11-16,20-22,26-27H,5-6,9-10,17-19,23-25H2,1-4H3/t27-/m0/s1","","2019-03-28","2020-01-10","~{N}-[[(3~{S})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide","2020-01-15"],["A1L6D","[(1~{R},5~{S})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{Z})-3,7,12,16-tetramethyl-17-oxidanyl-19-oxidanylidene-19-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate","C42 H58 O6","CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(O)=CC(=O)[C]2(C)C[CH](O)CC2(C)C)[C](C)(O)C1;CC(=CC=CC=C(C)C=CC=C(C)C(=CC(=O)C1(CC(CC1(C)C)O)C)O)C=CC=C(C)C=C=C2C(CC(CC2(C)O)OC(=O)C)(C)C","InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-39(6,7)27-35(48-33(5)43)28-42(37,11)47)16-12-13-17-30(2)20-15-21-32(4)36(45)24-38(46)41(10)26-34(44)25-40(41,8)9/h12-22,24,34-35,44-45,47H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+,36-24-/t23-,34-,35+,41-,42-/m0/s1","","2024-11-26","2026-01-23","[(1~{R},5~{S})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{Z})-3,7,12,16-tetramethyl-17-oxidanyl-19-oxidanylidene-19-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate","2026-01-28"],["JU6","(8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine","C24 H26 F N7 O","FC1CCN(C1)c1cc(NC2CCOCC2)n2nc(cc2n1)c1nc2ccccc2nc1C;Cc1nc2ccccc2nc1c3cc4nc(cc(NC5CCOCC5)n4n3)N6CC[CH](F)C6;Cc1c(nc2ccccc2n1)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCC(C6)F","InChI=1S/C24H26FN7O/c1-15-24(28-19-5-3-2-4-18(19)26-15)20-12-22-29-21(31-9-6-16(25)14-31)13-23(32(22)30-20)27-17-7-10-33-11-8-17/h2-5,12-13,16-17,27H,6-11,14H2,1H3","","2022-02-01","2022-10-07","(8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine","2022-10-12"],["JU7","6-cyclohexylhexyl beta-D-glucopyranoside","C18 H34 O6","C1(C(C(C(OC1OCCCCCCC2CCCCC2)CO)O)O)O;OC[CH]1O[CH](OCCCCCCC2CCCCC2)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1","","2018-09-24","2019-03-22","6-cyclohexylhexyl beta-D-glucopyranoside","2019-03-27"],["A1L6R","(1~{S},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide","C24 H27 N7 O5 S","COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4;Cc1cccc(n1)c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C(c4ncc(cn4)C)O","InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21+/m0/s1","","2024-12-09","2025-09-12","(1~{S},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide","2025-09-17"],["JU8","5-(1-methylindol-3-yl)pyrimidin-4-amine","C13 H12 N4","Cn1cc(c2cncnc2N)c3ccccc13;Cn1cc(c2c1cccc2)c3cncnc3N","InChI=1S/C13H12N4/c1-17-7-11(9-4-2-3-5-12(9)17)10-6-15-8-16-13(10)14/h2-8H,1H3,(H2,14,15,16)","","2019-03-28","2020-05-01","5-(1-methylindol-3-yl)pyrimidin-4-amine","2020-05-06"],["JU9","[(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid","C15 H14 N3 O5 P S","COc1ccc(C=C[P](O)(O)=O)c(Sc2c[nH]c3C(=O)NC=Nc23)c1;COc1ccc(c(c1)Sc2c[nH]c3c2N=CNC3=O)C=CP(=O)(O)O","InChI=1S/C15H14N3O5PS/c1-23-10-3-2-9(4-5-24(20,21)22)11(6-10)25-12-7-16-14-13(12)17-8-18-15(14)19/h2-8,16H,1H3,(H,17,18,19)(H2,20,21,22)/b5-4+","","2022-05-09","2023-05-12","[(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid","2023-05-17"],["A1L6U","3-(3-bromophenyl)-~{N}-ethyl-propanamide","C11 H14 Br N O","CCNC(=O)CCc1cccc(Br)c1;CCNC(=O)CCc1cccc(c1)Br","InChI=1S/C11H14BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H,13,14)","","2024-12-10","2025-12-05","3-(3-bromophenyl)-~{N}-ethyl-propanamide","2025-12-10"],["A1L6V","(~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide","C14 H15 F3 N2 O2","CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F;CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F","InChI=1S/C14H15F3N2O2/c1-19(2)13(21)9-18-12(20)8-5-10-3-6-11(7-4-10)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,20)/b8-5+","","2024-12-10","2025-12-05","(~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide","2025-12-10"],["JUA","(2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide","C26 H36 N8 O5 S","COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)CCCNC(=O)[CH](N)CCCCN)n2)c1;COc1ccc(c(c1)Nc2ncnc(n2)Nc3ccccc3S(=O)(=O)CCCNC(=O)C(CCCCN)N)OC","InChI=1S/C26H36N8O5S/c1-38-18-11-12-22(39-2)21(16-18)33-26-31-17-30-25(34-26)32-20-9-3-4-10-23(20)40(36,37)15-7-14-29-24(35)19(28)8-5-6-13-27/h3-4,9-12,16-17,19H,5-8,13-15,27-28H2,1-2H3,(H,29,35)(H2,30,31,32,33,34)/t19-/m0/s1","","2023-08-09","2024-06-21","(2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide","2024-06-26"],["JUB","1-{2-[{[(1R,3S)-1-benzylpiperidin-1-ium-3-yl]methyl}(naphthalene-2-sulfonyl)amino]ethyl}-4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-ium","C35 H41 N7 O5 S","O=S(=O)(c1cc2ccccc2cc1)N(CC1CCC[NH+](Cc2ccccc2)C1)CC[NH+]1CCN(CC1)c1ccc(c2nonc12)[N+]([O-])=O;[O-][N+](=O)c1ccc(N2CC[NH+](CC2)CCN(C[CH]3CCC[NH+](C3)Cc4ccccc4)[S](=O)(=O)c5ccc6ccccc6c5)c7nonc17;c1ccc(cc1)C[NH+]2CCCC(C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)[O-])S(=O)(=O)c6ccc7ccccc7c6","InChI=1S/C35H39N7O5S/c43-42(44)33-15-14-32(34-35(33)37-47-36-34)40-20-17-38(18-21-40)19-22-41(48(45,46)31-13-12-29-10-4-5-11-30(29)23-31)26-28-9-6-16-39(25-28)24-27-7-2-1-3-8-27/h1-5,7-8,10-15,23,28H,6,9,16-22,24-26H2/p+2/t28-/m0/s1","","2019-03-28","2026-04-05","1-{2-[{[(1R,3S)-1-benzylpiperidin-1-ium-3-yl]methyl}(naphthalene-2-sulfonyl)amino]ethyl}-4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-ium","2020-01-15"],["A1L6Y","(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(2,2-diphenylethoxy)ethanoylamino]pentanoic acid","C22 H28 N4 O4","NC(N)=NCCC[CH](NC(=O)COCC(c1ccccc1)c2ccccc2)C(O)=O;c1ccc(cc1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O)c2ccccc2","InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1","SB290157","2024-12-17","2025-11-21","(2~{S})-5-[bis(azanyl)methylideneamino]-2-[2-(2,2-diphenylethoxy)ethanoylamino]pentanoic acid","2025-11-26"],["A1L6Z","(4~{a}~{S},5~{S},5~{a}~{R},6~{S},8~{a}~{R},9~{S},9~{a}~{S})-3,6,9-trimethyl-5-[(1~{S},2~{R})-2-methyl-4-(3-methylfuran-2-yl)-1-oxidanyl-butyl]-3,4,5~{a},6,7,8,8~{a},9-octahydro-2~{H}-cyclopenta[g]chromene-4~{a},5,9~{a}-triol","C25 H40 O6","C[CH]1CO[C]2(O)[CH](C)[CH]3CC[CH](C)[CH]3[C](O)([CH](O)[CH](C)CCc4occc4C)[C]2(O)C1;Cc1ccoc1CCC(C)C(C2(C3C(CCC3C(C4(C2(CC(CO4)C)O)O)C)C)O)O","InChI=1S/C25H40O6/c1-14-12-23(27)24(28,22(26)17(4)7-9-20-15(2)10-11-30-20)21-16(3)6-8-19(21)18(5)25(23,29)31-13-14/h10-11,14,16-19,21-22,26-29H,6-9,12-13H2,1-5H3/t14-,16+,17-,18+,19+,21-,22+,23+,24+,25+/m1/s1","","2024-12-19","2025-08-01","(4~{a}~{S},5~{S},5~{a}~{R},6~{S},8~{a}~{R},9~{S},9~{a}~{S})-3,6,9-trimethyl-5-[(1~{S},2~{R})-2-methyl-4-(3-methylfuran-2-yl)-1-oxidanyl-butyl]-3,4,5~{a},6,7,8,8~{a},9-octahydro-2~{H}-cyclopenta[g]chromene-4~{a},5,9~{a}-triol","2025-08-06"],["JUC","(8R)-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-methyl-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine","C25 H28 F N7 O","CN(c1cc(nc2cc(nn12)c1nc2ccccc2nc1C)N1CCC(F)C1)C1CCOCC1;CN(C1CCOCC1)c2cc(nc3cc(nn23)c4nc5ccccc5nc4C)N6CC[CH](F)C6;Cc1c(nc2ccccc2n1)c3cc4nc(cc(n4n3)N(C)C5CCOCC5)N6CCC(C6)F","InChI=1S/C25H28FN7O/c1-16-25(28-20-6-4-3-5-19(20)27-16)21-13-23-29-22(32-10-7-17(26)15-32)14-24(33(23)30-21)31(2)18-8-11-34-12-9-18/h3-6,13-14,17-18H,7-12,15H2,1-2H3","","2022-02-01","2022-10-07","(8R)-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-methyl-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine","2022-10-12"],["JUD","N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide","C58 H104 F3 N O9","C1(OC(C(C(C1O)O)OCc2ccc(cc2)C(F)(F)F)CO)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](OCc2ccc(cc2)C(F)(F)F)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C58H104F3NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(65)62-49(53(66)50(64)38-36-34-32-30-28-16-14-12-10-8-6-4-2)46-70-57-55(68)54(67)56(51(44-63)71-57)69-45-47-40-42-48(43-41-47)58(59,60)61/h40-43,49-51,53-57,63-64,66-68H,3-39,44-46H2,1-2H3,(H,62,65)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1","","2018-09-24","2019-01-04","N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide","2019-01-09"],["A1L7A","(2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid","C12 H8 F N O5","OC(=O)[C]1(O)Oc2cc(F)ccc2N(CC#C)C1=O;C#CCN1c2ccc(cc2OC(C1=O)(C(=O)O)O)F","InChI=1S/C12H8FNO5/c1-2-5-14-8-4-3-7(13)6-9(8)19-12(18,10(14)15)11(16)17/h1,3-4,6,18H,5H2,(H,16,17)/t12-/m1/s1","","2025-01-07","2025-05-30","(2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid","2025-06-04"],["A1L7B","Azumolene","C13 H9 Br N4 O3","Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2;c1cc(ccc1c2cnc(o2)C=NN3CC(=O)NC3=O)Br","InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+","","2025-01-08","2025-10-17","1-[(~{E})-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione","2025-10-22"],["JUE","~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide","C24 H25 N3 O4","COc1ccc(cc1)[CH](NC(=O)C2=CCC(=O)N=C2)C(=O)Nc3ccc(cc3)C(C)C;CC(C)c1ccc(cc1)NC(=O)C(c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3","InChI=1S/C24H25N3O4/c1-15(2)16-4-9-19(10-5-16)26-24(30)22(17-6-11-20(31-3)12-7-17)27-23(29)18-8-13-21(28)25-14-18/h4-12,14-15,22H,13H2,1-3H3,(H,26,30)(H,27,29)/t22-/m1/s1","","2019-03-28","2019-06-28","~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide","2019-07-03"],["JUF","2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide","C14 H16 N2 O2 S","COCCNC(=O)c1cc(sc1N)c2ccccc2;COCCNC(=O)c1cc(sc1N)c2ccccc2","InChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)","","2022-05-09","2022-08-22","2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide","2022-08-24"],["JUG","5-hydroxynaphthalene-1,4-dione","C10 H6 O3","O=C2c1c(c(O)ccc1)C(=O)C=C2;Oc1cccc2C(=O)C=CC(=O)c12;c1cc2c(c(c1)O)C(=O)C=CC2=O","InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H","Juglone","2007-11-01","2024-09-27","5-hydroxynaphthalene-1,4-dione",""],["JUH","(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide","C27 H24 F6 N2 O5 S","CC[S](=O)(=O)c1ccc(cc1)[CH](NC(=O)Cc2ccccc2)C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F;CCS(=O)(=O)c1ccc(cc1)C(C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3","InChI=1S/C27H24F6N2O5S/c1-2-41(39,40)21-14-8-18(9-15-21)23(35-22(36)16-17-6-4-3-5-7-17)24(37)34-20-12-10-19(11-13-20)25(38,26(28,29)30)27(31,32)33/h3-15,23,38H,2,16H2,1H3,(H,34,37)(H,35,36)/t23-/m1/s1","","2019-03-29","2019-06-28","(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide","2019-07-03"],["JUJ","1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one","C18 H16 Cl2 N4 O2","C4N(C(CO)=O)Cc1c(nc3c1c(c2cnc(N)cc2)cc(c3Cl)Cl)C4;Nc1ccc(cn1)c2cc(Cl)c(Cl)c3[nH]c4CCN(Cc4c23)C(=O)CO;c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N","InChI=1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22)","","2018-09-24","2019-05-24","1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one","2019-05-29"],["JUK","2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium","C22 H22 N5 O4","C1CCOC1CNC(=O)c4cc2C(N5C=CC=CC5=Nc2[n+](Cc3ccco3)c4N)=O;Nc1c(cc2C(=O)N3C=CC=CC3=Nc2[n+]1Cc4occc4)C(=O)NC[CH]5CCCO5;c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NCC5CCCO5)N","InChI=1S/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-2,4,6-8,10-11,14,23H,3,5,9,12-13H2,(H,24,28)/p+1/t14-/m0/s1","","2019-01-31","2019-05-10","2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium","2019-05-15"],["JUL","7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one","C20 H23 N5 O3","COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1;COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5;COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4","InChI=1S/C20H23N5O3/c1-27-13-5-6-17-16(11-13)21-18(26)12-25(17)19-14-3-2-4-15(14)22-20(23-19)24-7-9-28-10-8-24/h5-6,11H,2-4,7-10,12H2,1H3,(H,21,26)","","2022-02-02","2023-04-07","7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one","2023-04-12"],["A1L7Y","(4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid","C25 H34 Cl2 O6 Si","CCC(O)(CC)COc1ccc(cc1Cl)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)c(Cl)c2;CCC(CC)(COc1ccc(cc1Cl)[Si](C)(C)c2ccc(c(c2)Cl)OCC(CCC(=O)O)O)O","InChI=1S/C25H34Cl2O6Si/c1-5-25(31,6-2)16-33-23-11-9-19(14-21(23)27)34(3,4)18-8-10-22(20(26)13-18)32-15-17(28)7-12-24(29)30/h8-11,13-14,17,28,31H,5-7,12,15-16H2,1-4H3,(H,29,30)/t17-/m0/s1","","2025-02-26","2025-06-06","(4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid","2025-06-11"],["JUM","1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one","C16 H14 Cl2 N4 O2","C1c2c(CCN1C(CO)=O)nc3c2c(cc(c3Cl)Cl)c4cnnc4;OCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(c4c[nH]nc4)c3c2C1;c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4","InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20)","","2018-09-25","2019-05-24","1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one","2019-05-29"],["JUN","(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide","C21 H20 F6 N2 O5 S","CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F;CCS(=O)(=O)c1ccc(cc1)C(C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C","InChI=1S/C21H20F6N2O5S/c1-3-35(33,34)16-10-4-13(5-11-16)17(28-12(2)30)18(31)29-15-8-6-14(7-9-15)19(32,20(22,23)24)21(25,26)27/h4-11,17,32H,3H2,1-2H3,(H,28,30)(H,29,31)/t17-/m1/s1","","2019-03-29","2019-06-28","(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide","2019-07-03"],["A1L7Z","(4~{S})-5-[2-ethyl-4-[[3-ethyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid","C29 H44 O6 Si","CCc1cc(ccc1OC[CH](O)CCC(O)=O)[Si](C)(C)c2ccc(OCC(O)(CC)CC)c(CC)c2;CCc1cc(ccc1OCC(CCC(=O)O)O)[Si](C)(C)c2ccc(c(c2)CC)OCC(CC)(CC)O","InChI=1S/C29H44O6Si/c1-7-21-17-24(12-14-26(21)34-19-23(30)11-16-28(31)32)36(5,6)25-13-15-27(22(8-2)18-25)35-20-29(33,9-3)10-4/h12-15,17-18,23,30,33H,7-11,16,19-20H2,1-6H3,(H,31,32)/t23-/m0/s1","","2025-02-26","2025-06-06","(4~{S})-5-[2-ethyl-4-[[3-ethyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid","2025-06-11"],["A1L8A","(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-phenyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid","C32 H42 O6 Si","CCC(O)(CC)COc1ccc(cc1C)[Si](C)(c2ccccc2)c3ccc(OC[CH](O)CCC(O)=O)c(C)c3;CCC(CC)(COc1ccc(cc1C)[Si](C)(c2ccccc2)c3ccc(c(c3)C)OCC(CCC(=O)O)O)O","InChI=1S/C32H42O6Si/c1-6-32(36,7-2)22-38-30-17-15-28(20-24(30)4)39(5,26-11-9-8-10-12-26)27-14-16-29(23(3)19-27)37-21-25(33)13-18-31(34)35/h8-12,14-17,19-20,25,33,36H,6-7,13,18,21-22H2,1-5H3,(H,34,35)/t25?,39-/m1/s1","","2025-02-27","2025-06-06","(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-phenyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid","2025-06-11"],["JUO","2-amino-4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C11 H12 N6 S","N#Cc2c1c(nc(nc1nc2)N)N3CCSCC3;Nc1nc2[nH]cc(C#N)c2c(n1)N3CCSCC3;c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N","InChI=1S/C11H12N6S/c12-5-7-6-14-9-8(7)10(16-11(13)15-9)17-1-3-18-4-2-17/h6H,1-4H2,(H3,13,14,15,16)","","2014-01-14","2015-01-16","2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2015-01-21"],["A1L8B","(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid","C29 H44 O6 Si","CCC[Si](C)(c1ccc(OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2;CCC[Si](C)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O","InChI=1S/C29H44O6Si/c1-7-16-36(6,25-12-14-27(22(5)18-25)35-20-29(33,8-2)9-3)24-11-13-26(21(4)17-24)34-19-23(30)10-15-28(31)32/h11-14,17-18,23,30,33H,7-10,15-16,19-20H2,1-6H3,(H,31,32)/t23-,36+/m0/s1","","2025-02-27","2025-06-06","(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid","2025-06-11"],["JUP","4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE","C28 H27 F3 N4 O2 S","FC(F)(F)c1ccccc1C(Oc2c(C(=O)N)ccc(c2)c4cc(c3scc(c3)CN(C)C)cnc4N)C;C[CH](Oc1cc(ccc1C(N)=O)c2cc(cnc2N)c3scc(CN(C)C)c3)c4ccccc4C(F)(F)F;CC(c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C","InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1","","2011-10-20","2014-09-05","4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide",""],["JUQ","(1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid","C24 H23 N3 O4","COc1nc(ncc1N(CC2CC2)c3cccc4ccccc34)C(=O)[CH]5C[CH]5C(O)=O;COc1c(cnc(n1)C(=O)C2CC2C(=O)O)N(CC3CC3)c4cccc5c4cccc5","InChI=1S/C24H23N3O4/c1-31-23-20(12-25-22(26-23)21(28)17-11-18(17)24(29)30)27(13-14-9-10-14)19-8-4-6-15-5-2-3-7-16(15)19/h2-8,12,14,17-18H,9-11,13H2,1H3,(H,29,30)/t17-,18-/m0/s1","","2019-03-29","2019-08-23","(1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid","2019-08-28"],["A1L8E","14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate","C39 H50 N O3 P","Cc1cc(O)ccc1C(=O)OCCCCCCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccn4;Cc1cc(ccc1C(=O)OCCCCCCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccn4)O","InChI=1S/C39H50NO3P/c1-33-32-34(41)27-28-37(33)39(42)43-30-20-10-8-6-4-2-3-5-7-9-11-21-31-44(35-22-14-12-15-23-35,36-24-16-13-17-25-36)38-26-18-19-29-40-38/h12-19,22-29,32,41,44H,2-11,20-21,30-31H2,1H3","","2025-02-28","2025-09-05","14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate","2025-09-10"],["A1L8F","(1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol","C17 H19 N O4","CO[CH]1C=C2[CH](C[CH]1O)[N]3C[CH]2c4cc5OCOc5cc4C3;COC1C=C2C(CC1O)N3Cc4cc5c(cc4C2C3)OCO5","InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12-,13-,14-,15-/m0/s1","Montanine","2025-03-03","2026-01-09","","2026-01-14"],["JUR","1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide","C20 H23 N5 O","NC(=O)c1cc2cc(ccc2n1CCN3CCNCC3)c4ccncc4;c1cc2c(cc1c3ccncc3)cc(n2CCN4CCNCC4)C(=O)N","InChI=1S/C20H23N5O/c21-20(26)19-14-17-13-16(15-3-5-22-6-4-15)1-2-18(17)25(19)12-11-24-9-7-23-8-10-24/h1-6,13-14,23H,7-12H2,(H2,21,26)","","2022-05-09","2023-03-31","1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide","2023-04-05"],["JUS","2-(2-CYANOPHENOXY)-5-HEXYLPHENOL","C19 H21 N O2","N#Cc2c(Oc1ccc(cc1O)CCCCCC)cccc2;CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N","InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3","","2013-05-15","2014-04-29","2-(4-hexyl-2-hydroxyphenoxy)benzonitrile","2013-06-05"],["JUT","4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine","C9 H6 F2 N2 S","Nc1scc(n1)c2ccc(F)c(F)c2;c1cc(c(cc1c2csc(n2)N)F)F","InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)","","2019-04-02","2020-04-10","4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine","2020-04-15"],["A1L8R","N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine","C36 H38 N6","C(CNc1c2ccccc2nc3ccccc13)CN4CCN(CCCNc5c6ccccc6nc7ccccc57)CC4;c1ccc2c(c1)c(c3ccccc3n2)NCCCN4CCN(CC4)CCCNc5c6ccccc6nc7c5cccc7","InChI=1S/C36H38N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1-8,11-18H,9-10,19-26H2,(H,37,39)(H,38,40)","","2025-03-27","2025-10-03","~{N}-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine","2025-10-08"],["JUU","[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid","C18 H22 N2 O3","N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(C(CN(Cc2ccccc2)C(=O)O)O)N","InChI=1S/C18H22N2O3/c19-16(11-14-7-3-1-4-8-14)17(21)13-20(18(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13,19H2,(H,22,23)/t16-,17+/m0/s1","","2023-08-09","2024-09-27","[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid","2024-01-31"],["A1L8V","2,5,6-tris(azanyl)-5~{H}-pyrimidin-4-one","C4 H7 N5 O","N[CH]1C(=NC(=NC1=O)N)N;C1(C(=NC(=NC1=O)N)N)N","InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h1H,5H2,(H4,6,7,8,9,10)/t1-/m0/s1","","2025-04-01","2026-03-27","2,5,6-tris(azanyl)-5~{H}-pyrimidin-4-one","2026-04-01"],["JUV","(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid","C18 H16 O6","c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O;OC(=O)[CH](Cc1ccc(O)cc1)OC(=O)C=Cc2ccc(O)cc2;c1cc(ccc1CC(C(=O)O)OC(=O)C=Cc2ccc(cc2)O)O","InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1","4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate","2018-09-25","2020-06-17","(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid","2019-09-11"],["JUW","4-(1-methylindol-3-yl)pyrimidin-2-amine","C13 H12 N4","Cn1cc(c2ccnc(N)n2)c3ccccc13;Cn1cc(c2c1cccc2)c3ccnc(n3)N","InChI=1S/C13H12N4/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3,(H2,14,15,16)","","2019-04-02","2020-05-08","4-(1-methylindol-3-yl)pyrimidin-2-amine","2020-05-13"],["A1L8W","2-azanyl-6-oxidanylidene-1~{H}-1,3,5-triazine-4-carboxylic acid","C4 H4 N4 O3","NC1=NC(=NC(=O)N1)C(O)=O;C1(=NC(=O)NC(=N1)N)C(=O)O","InChI=1S/C4H4N4O3/c5-3-6-1(2(9)10)7-4(11)8-3/h(H,9,10)(H3,5,6,7,8,11)","","2025-04-01","2026-03-27","2-azanyl-6-oxidanylidene-1~{H}-1,3,5-triazine-4-carboxylic acid","2026-04-01"],["JUX","N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide","C19 H18 N4 O S2","O=C(CSc1ccc(nn1)c1ccccc1)N(C1CC1)c1nc(C)cs1;Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4;Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4","InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3","","2022-02-02","2022-06-24","N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide","2022-06-29"],["JUY","(2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid","C25 H25 N5 O4 S","C(C(NCCC(C(=O)O)NC(c2sc1c(cccc1)n2)=O)=O)CCCc3ccc4c(n3)nccc4;OC(=O)[CH](CCNC(=O)CCCCc1ccc2cccnc2n1)NC(=O)c3sc4ccccc4n3;c1ccc2c(c1)nc(s2)C(=O)NC(CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O","InChI=1S/C25H25N5O4S/c31-21(10-4-1-7-17-12-11-16-6-5-14-27-22(16)28-17)26-15-13-19(25(33)34)29-23(32)24-30-18-8-2-3-9-20(18)35-24/h2-3,5-6,8-9,11-12,14,19H,1,4,7,10,13,15H2,(H,26,31)(H,29,32)(H,33,34)/t19-/m0/s1","","2018-09-25","2019-09-20","(2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid","2019-09-25"],["A1L98","4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid","C30 H32 N2 O8 S2","CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CCCC(O)=O)c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24;CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CCCC(=O)O","InChI=1S/C30H32N2O8S2/c1-3-39-22-12-16-24(17-13-22)41(35,36)31-28-20-21(8-7-11-29(33)34)30(27-10-6-5-9-26(27)28)32-42(37,38)25-18-14-23(15-19-25)40-4-2/h5-6,9-10,12-20,31-32H,3-4,7-8,11H2,1-2H3,(H,33,34)","","2025-06-10","2025-11-07","4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid","2025-11-12"],["JUZ","1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea","C26 H32 N4 O4 S","CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc4N[CH]5C[CH](OC[CH]5O)c4c3;CSc1ccccc1C2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)C5CC(N4)C(CO5)O","InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22+,23-/m0/s1","","2019-04-02","2019-11-22","1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea","2019-11-27"],["JV0","4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine","C25 H30 N2 S2","S(c1ccc(cc1)c3cc(c(n3c2ccc(cc2)CC)C)CN4CCSCC4)C;CCc1ccc(cc1)n2c(C)c(CN3CCSCC3)cc2c4ccc(SC)cc4;CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C","InChI=1S/C25H30N2S2/c1-4-20-5-9-23(10-6-20)27-19(2)22(18-26-13-15-29-16-14-26)17-25(27)21-7-11-24(28-3)12-8-21/h5-12,17H,4,13-16,18H2,1-3H3","","2012-04-04","2014-09-05","4-({1-(4-ethylphenyl)-2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-3-yl}methyl)thiomorpholine","2013-04-17"],["A1L9F","N-(1-pyrenyl)maleimide","C20 H11 N O2","O=C1C=CC(=O)N1c2ccc3ccc4cccc5ccc2c3c45;c1cc2ccc3ccc(c4c3c2c(c1)cc4)N5C(=O)C=CC5=O","InChI=1S/C20H11NO2/c22-17-10-11-18(23)21(17)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)20(14)19(12)13/h1-11H","1-pyren-1-ylpyrrole-2,5-dione","2025-04-30","2025-11-14","1-pyren-1-ylpyrrole-2,5-dione","2025-11-19"],["JV1","(~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one","C16 H11 N O5","[O-][N+](=O)c1cccc(c1)C(=O)C=Cc2ccc3OCOc3c2;c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2ccc3c(c2)OCO3","InChI=1S/C16H11NO5/c18-14(12-2-1-3-13(9-12)17(19)20)6-4-11-5-7-15-16(8-11)22-10-21-15/h1-9H,10H2/b6-4+","","2019-09-09","2019-11-29","(~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one","2019-12-04"],["A1L9M","Acylated Cefovecin","C17 H23 N5 O6 S2","CON=C(C(=O)N[CH](C=O)[CH]1SC[CH](CCCCO)C(=N1)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(CS2)CCCCO)C(=O)O","InChI=1S/C17H23N5O6S2/c1-28-22-13(11-8-30-17(18)20-11)14(25)19-10(6-24)15-21-12(16(26)27)9(7-29-15)4-2-3-5-23/h6,8-10,15,23H,2-5,7H2,1H3,(H2,18,20)(H,19,25)(H,26,27)/b22-13-/t9-,10-,15+/m0/s1","(2~{R},5~{R})-2-[(1~{S})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-(4-oxidanylbutyl)-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2025-05-08","2026-04-17","(2~{R},5~{R})-2-[(1~{S})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-(4-oxidanylbutyl)-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2026-04-22"],["JV2","1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea","C26 H32 N4 O4 S","CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc4N[CH]5C[CH](OC[CH]5O)c4c3;CSc1ccccc1C2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)C5CC(N4)C(CO5)O","InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1","","2019-04-02","2019-11-22","1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea","2019-11-27"],["JV3","methyl 3-pyridin-4-ylbenzoate","C13 H11 N O2","COC(=O)c1cccc(c1)c2ccncc2;COC(=O)c1cccc(c1)c2ccncc2","InChI=1S/C13H11NO2/c1-16-13(15)12-4-2-3-11(9-12)10-5-7-14-8-6-10/h2-9H,1H3","","2022-05-09","2023-03-31","methyl 3-pyridin-4-ylbenzoate","2023-04-05"],["A1L9N","Acylated Cefotetan","C15 H17 N3 O8 S3","CO[C](NC(=O)[CH]1S[CH](S1)[CH](C(N)=O)C(O)=O)(C=O)[CH]2SCC(=C)C(=N2)C(O)=O;COC(C=O)(C1N=C(C(=C)CS1)C(=O)O)NC(=O)C2SC(S2)C(C(=O)N)C(=O)O","InChI=1S/C15H17N3O8S3/c1-5-3-27-14(17-7(5)11(24)25)15(4-19,26-2)18-9(21)13-28-12(29-13)6(8(16)20)10(22)23/h4,6,12-14H,1,3H2,2H3,(H2,16,20)(H,18,21)(H,22,23)(H,24,25)/t6?,12?,13-,14-,15-/m0/s1","(2~{S})-2-[(1~{S})-1-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]-1,3-dithietan-2-yl]carbonylamino]-1-methoxy-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid","2025-05-13","2026-04-17","(2~{S})-2-[(1~{S})-1-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]-1,3-dithietan-2-yl]carbonylamino]-1-methoxy-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid","2026-04-22"],["JV4","6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose","C6 H12 F O8 P","C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O;O[CH]1[CH](O)[CH](CF)O[CH](O[P](O)(O)=O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)F","InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1","6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose; 6-deoxy-6-fluoro-1-O-phosphono-D-glucose;\n6-deoxy-6-fluoro-1-O-phosphono-glucose","2018-09-28","2020-07-17","6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose","2019-07-31"],["JV5","~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide","C15 H14 N4 O2","Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2;Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3","InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)","","2019-04-02","2019-05-03","~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide","2019-05-08"],["JV6","5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid","C12 H14 N6 O7 S","COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2C(O)=O)n1;Cn1c(c(cn1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)","","2022-08-29","2023-07-28","5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid","2023-08-02"],["A1LTQ","ADP-RIBOXANATED ARGININE","C21 H32 N8 O15 P2","N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)N(C(=N)O5)CCCC(C(=O)O)N)O)O)O)N","InChI=1S/C21H32N8O15P2/c22-8(20(33)34)2-1-3-28-19-15(43-21(28)24)13(31)10(42-19)5-40-46(37,38)44-45(35,36)39-4-9-12(30)14(32)18(41-9)29-7-27-11-16(23)25-6-26-17(11)29/h6-10,12-15,18-19,24,30-32H,1-5,22H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,26)/b24-21+/t8-,9+,10+,12+,13+,14+,15+,18+,19-/m0/s1","5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid","2024-01-22","2024-09-27","5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid","2024-07-03"],["JV8","~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide","C18 H16 N2 O2","Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2;Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2","InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)","","2019-04-02","2019-05-03","~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide","2019-05-08"],["A1LU6","5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one","C19 H15 Cl N4 O","Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C(=O)C=C3;c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N","InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23)","","2023-12-15","2023-12-22","5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one","2023-12-27"],["JV9","7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one","C17 H19 N5 O2","CNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC;CNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34;CNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2","InChI=1S/C17H19N5O2/c1-18-17-20-12-5-3-4-11(12)16(21-17)22-9-15(23)19-13-8-10(24-2)6-7-14(13)22/h6-8H,3-5,9H2,1-2H3,(H,19,23)(H,18,20,21)","","2022-02-02","2023-04-07","7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one","2023-04-12"],["A1LU8","2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol","C21 H18 F2 N2 O2","Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC4;c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4CCOCC4","InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2","","2023-12-15","2024-03-01","2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol","2024-03-06"],["JVA","2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol","C7 H14 F O7 P","C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O;OC[CH]1O[CH](C[P](O)(O)=O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)CP(=O)(O)O)F)O)O)O","InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1","","2018-10-01","2020-07-17","2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol","2019-07-31"],["JVB","2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide","C14 H14 N2 O2","Cc1ccccc1OCC(=O)Nc2cccnc2;Cc1ccccc1OCC(=O)Nc2cccnc2","InChI=1S/C14H14N2O2/c1-11-5-2-3-7-13(11)18-10-14(17)16-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)","","2019-04-02","2019-05-03","2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide","2019-05-08"],["A1LUD","S-METHYL-METHIONINE","C6 H14 N O2 S","C[S+](C)CC[CH](N)C(O)=O;C[S+](C)CCC(C(=O)O)N","InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1","(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium","2024-01-22","2025-08-15","(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium","2025-08-20"],["JVC","1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C34 H50 N10 O5","NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC(=O)[CH](Cc3cccc(CN)c3)NC1=O)NC(N)=N)c2;c1cc2cc(c1)CNC(=O)CNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)CCCCN)Cc3cccc(c3)CN)NC(=N)N","InChI=1S/C34H50N10O5/c35-13-3-1-11-27-33(49)43-28(17-22-7-5-9-24(15-22)19-36)32(48)39-14-4-2-12-26(44-34(37)38)31(47)41-21-30(46)40-20-25-10-6-8-23(16-25)18-29(45)42-27/h5-10,15-16,26-28H,1-4,11-14,17-21,35-36H2,(H,39,48)(H,40,46)(H,41,47)(H,42,45)(H,43,49)(H4,37,38,44)/t26-,27+,28+/m1/s1","","2022-05-11","2023-03-17","1-[(8~{R},15~{S},18~{S})-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-03-22"],["JVD","N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide","C12 H16 N4 O","c1cc2c(cc1C(NC(C)C(C)C)=O)nnn2;CC(C)[CH](C)NC(=O)c1ccc2nn[nH]c2c1;CC(C)C(C)NC(=O)c1ccc2c(c1)[nH]nn2","InChI=1S/C12H16N4O/c1-7(2)8(3)13-12(17)9-4-5-10-11(6-9)15-16-14-10/h4-8H,1-3H3,(H,13,17)(H,14,15,16)/t8-/m1/s1","","2018-10-02","2019-03-22","N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide","2019-03-27"],["A1LUV","(5S)-5-HYDROXY-LYSINE","C6 H15 N2 O3","N[CH](CC[CH](O)C[NH3+])C(O)=O;C(CC(C(=O)O)N)C(C[NH3+])O","InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5-/m0/s1","[5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium","2024-01-22","2024-12-20","[5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium","2024-12-25"],["A1LUZ","2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid","C5 H3 N O4 S","OC(=O)C=C1SC(=O)NC1=O;C(=C1C(=O)NC(=O)S1)C(=O)O","InChI=1S/C5H3NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h1H,(H,7,8)(H,6,9,10)","","2023-12-13","2025-06-06","2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid","2025-06-11"],["JVE","(4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one","C15 H13 F N4 O","Fc1ccccc1C4c2c(nnc2)NC3=C4C(=O)CNC3;Fc1ccccc1[CH]2c3c[nH]nc3NC4=C2C(=O)CNC4;c1ccc(c(c1)C2c3c[nH]nc3NC4=C2C(=O)CNC4)F","InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)/t13-/m0/s1","","2014-09-05","2014-11-14","(4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one","2014-11-19"],["A1LVA","N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide","C17 H19 Cl N2 O5 S2","COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O;Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3(=O)=O)Cl)OC","InChI=1S/C17H19ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3","","2023-12-17","2024-11-29","~{N}-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide","2024-12-04"],["JVF","~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide","C13 H20 N2 O S","CCN(CC)CCNC(=O)c1ccccc1S;CCN(CC)CCNC(=O)c1ccccc1S","InChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)","","2021-12-23","2022-11-18","~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide","2022-11-23"],["A1LVB","(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid","C24 H26 Cl F N2 O4","C[CH]([CH](NC(=O)[CH](F)c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O;Cc1ccc(cc1OCC(C)(C)C#N)C(C(C)C(=O)O)NC(=O)C(c2ccc(cc2)Cl)F","InChI=1S/C24H26ClFN2O4/c1-14-5-6-17(11-19(14)32-13-24(3,4)12-27)21(15(2)23(30)31)28-22(29)20(26)16-7-9-18(25)10-8-16/h5-11,15,20-21H,13H2,1-4H3,(H,28,29)(H,30,31)","","2023-12-19","2024-05-17","(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid","2024-05-22"],["JVH"," 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide","C23 H27 N3 O5","O[CH]1CO[CH]2C[CH]1Nc3ccc(CNC(=O)CN4C(=O)[CH]5[CH]6CC[CH](C6)[CH]5C4=O)cc23;c1cc2c(cc1CNC(=O)CN3C(=O)C4C5CCC(C5)C4C3=O)C6CC(N2)C(CO6)O","InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20+,21-/m1/s1","","2019-04-02","2019-11-22","2-[(1~{R},2~{S},6~{R},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]-~{N}-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]ethanamide","2019-11-27"],["A1LVE","(3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione","C12 H22 N2 O3","CC(C)C[CH]1NC(=O)[CH](NC1=O)[CH](C)CCO;CC(C)CC1C(=O)NC(C(=O)N1)C(C)CCO","InChI=1S/C12H22N2O3/c1-7(2)6-9-11(16)14-10(12(17)13-9)8(3)4-5-15/h7-10,15H,4-6H2,1-3H3,(H,13,17)(H,14,16)","","2023-12-20","2025-05-23","(3~{S},6~{S})-3-(2-methylpropyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione","2025-05-28"],["JVI","4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C18 H21 N5 O2","CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC;CCNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34;CCNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2","InChI=1S/C18H21N5O2/c1-3-19-18-21-13-6-4-5-12(13)17(22-18)23-10-16(24)20-14-9-11(25-2)7-8-15(14)23/h7-9H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,22)","","2022-02-02","2023-01-13","4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2023-01-18"],["JVJ","1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine","C27 H28 N4 O2","NCc1ccc(cc1)c4c(c3ccc(c2ccoc2)cc3)nc(cn4)OCC5CCNCC5;NCc1ccc(cc1)c2ncc(OCC3CCNCC3)nc2c4ccc(cc4)c5cocc5;c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5","InChI=1S/C27H28N4O2/c28-15-19-1-3-22(4-2-19)26-27(23-7-5-21(6-8-23)24-11-14-32-18-24)31-25(16-30-26)33-17-20-9-12-29-13-10-20/h1-8,11,14,16,18,20,29H,9-10,12-13,15,17,28H2","","2018-10-04","2019-05-17","1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine","2019-05-22"],["A1LVQ","CXF007","C34 H33 N7 O5","COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O)C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O;COc1cc(cc(c1)OC)N2Cc3cnc(nc3N(C2=O)CCc4ccc(cc4)NC(=O)C=C)Nc5ccccc5NC(=O)C=C","InChI=1S/C34H33N7O5/c1-5-30(42)36-24-13-11-22(12-14-24)15-16-40-32-23(21-41(34(40)44)25-17-26(45-3)19-27(18-25)46-4)20-35-33(39-32)38-29-10-8-7-9-28(29)37-31(43)6-2/h5-14,17-20H,1-2,15-16,21H2,3-4H3,(H,36,42)(H,37,43)(H,35,38,39)","~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide","2024-01-04","2024-09-27","~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]prop-2-enamide","2024-03-27"],["JVK","(2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid","C13 H16 Cl N O3 S","CC(C)[CH](NC(=O)CSc1ccc(Cl)cc1)C(O)=O;CC(C)C(C(=O)O)NC(=O)CSc1ccc(cc1)Cl","InChI=1S/C13H16ClNO3S/c1-8(2)12(13(17)18)15-11(16)7-19-10-5-3-9(14)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1","","2019-04-03","2021-01-29","(2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid","2021-02-03"],["JVL","1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C35 H48 N10 O5","NCCCC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c4;c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)NCCCCC(C(=O)NCC(=O)NCc4cccc(c4)CC(=O)N3)NC(=N)N)CCCCN","InChI=1S/C35H48N10O5/c36-14-5-3-12-27-32(48)39-15-6-4-13-28(45-35(37)38)33(49)42-21-31(47)41-19-23-9-7-8-22(16-23)17-30(46)43-29(34(50)44-27)18-24-20-40-26-11-2-1-10-25(24)26/h1-2,7-11,16,20,27-29,40H,3-6,12-15,17-19,21,36H2,(H,39,48)(H,41,47)(H,42,49)(H,43,46)(H,44,50)(H4,37,38,45)/t27-,28+,29-/m0/s1","","2022-05-11","2023-03-17","1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(1~{H}-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-03-22"],["A1LVV","LL-D49194alpha1","C48 H66 O22","CO[CH](O[CH]1C[C](C)(O)[CH](O[CH]2C[C](C)(O)[CH](O)[CH](C)O2)[CH](C)O1)[C]34O[CH]5[CH](O3)[C](OC)(Oc6c5c(C)cc7c(OC)c8[CH](C[CH](O)C(=O)c8c(O)c67)O[CH]9C[C](C)(O)[CH](OC(C)=O)[CH](C)O9)[C]4(C)O;Cc1cc2c(c(c3c(c2OC)C(CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O)c5c1C6C7C(O5)(C(C(O6)(O7)C(OC)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)O)(C)O)(C)O)(C)O)OC","InChI=1S/C48H66O22/c1-18-13-23-30(34(52)32-31(35(23)58-10)25(14-24(50)33(32)51)65-26-16-44(7,55)39(20(3)62-26)64-22(5)49)36-29(18)37-41-47(60-12,68-36)46(9,57)48(69-37,70-41)42(59-11)67-28-17-45(8,56)40(21(4)63-28)66-27-15-43(6,54)38(53)19(2)61-27/h13,19-21,24-28,37-42,50,52-57H,14-17H2,1-12H3/t19-,20-,21-,24-,25-,26-,27-,28-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46-,47+,48-/m0/s1","","2024-01-09","2024-11-29","","2024-12-04"],["JVM","1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine","C26 H28 N6 O","NCc1ccc(cc1)c2ncc(nc2c4ccc(c3cnnc3)cc4)OCC5CCNCC5;NCc1ccc(cc1)c2ncc(OCC3CCNCC3)nc2c4ccc(cc4)c5c[nH]nc5;c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5","InChI=1S/C26H28N6O/c27-13-18-1-3-21(4-2-18)25-26(22-7-5-20(6-8-22)23-14-30-31-15-23)32-24(16-29-25)33-17-19-9-11-28-12-10-19/h1-8,14-16,19,28H,9-13,17,27H2,(H,30,31)","","2018-10-04","2019-05-10","1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine","2019-05-15"],["JVN","(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol","C11 H12 F N O2","O[CH]1CO[CH]2C[CH]1Nc3ccc(F)cc23;c1cc2c(cc1F)C3CC(N2)C(CO3)O","InChI=1S/C11H12FNO2/c12-6-1-2-8-7(3-6)11-4-9(13-8)10(14)5-15-11/h1-3,9-11,13-14H,4-5H2/t9-,10-,11-/m1/s1","","2019-04-04","2019-11-22","(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol","2019-11-27"],["A1LVW","Lys01","C23 H23 Cl2 N5","CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl)ccc34;CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3ccnc4c3ccc(c4)Cl","InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)","~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine","2024-01-09","2024-04-05","~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine","2024-04-10"],["A1LVZ","[[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C12 H16 F I N3 O12 P3","Cc1ncnc2n(cc(I)c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3F;Cc1c2c(cn(c2ncn1)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I","InChI=1S/C12H16FIN3O12P3/c1-5-8-6(14)2-17(11(8)16-4-15-5)12-9(13)10(18)7(27-12)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4,7,9-10,12,18H,3H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t7-,9+,10-,12-/m1/s1","","2024-01-10","2024-11-29","[[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-12-04"],["JVO","2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile","C21 H23 Cl N4 O2","CC(C)n1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13;CC(C)n1c2cc(ccc2nc1NCC(COc3ccc(cc3)CC#N)O)Cl","InChI=1S/C21H23ClN4O2/c1-14(2)26-20-11-16(22)5-8-19(20)25-21(26)24-12-17(27)13-28-18-6-3-15(4-7-18)9-10-23/h3-8,11,14,17,27H,9,12-13H2,1-2H3,(H,24,25)/t17-/m0/s1","","2023-08-09","2024-01-12","2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile","2024-01-17"],["JVP","5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide","C22 H20 F2 N6 O2","c3cc(c1nn(c(c1C(=O)N)N)C2CCCN(C#N)C2)ccc3Oc4ccc(cc4F)F;NC(=O)c1c(N)n(nc1c2ccc(Oc3ccc(F)cc3F)cc2)[CH]4CCCN(C4)C#N;c1cc(ccc1c2c(c(n(n2)C3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F","InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m1/s1","","2018-10-04","2024-09-27","5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide","2019-01-30"],["JVQ","14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one","C13 H16 N2 O3","CCN1Cc2cc3OCOc3cc2NCCC1=O;CCN1Cc2cc3c(cc2NCCC1=O)OCO3","InChI=1S/C13H16N2O3/c1-2-15-7-9-5-11-12(18-8-17-11)6-10(9)14-4-3-13(15)16/h5-6,14H,2-4,7-8H2,1H3","","2019-04-04","2019-11-22","14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one","2019-11-27"],["A1LWD","O-desmethyl mycophenolic acid","C16 H18 O6","CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O;Cc1c2c(c(c(c1O)CC=C(C)CCC(=O)O)O)C(=O)OC2","InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)","(~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid","2024-01-15","2024-08-23","(~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid","2024-08-28"],["JVR","4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C19 H21 N5 O2","COc1ccc2c(NC(=O)CN2c2nc(NC3CC3)nc3CCCc32)c1;COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5CCCc35;COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)NC5CC5)CCC4","InChI=1S/C19H21N5O2/c1-26-12-7-8-16-15(9-12)21-17(25)10-24(16)18-13-3-2-4-14(13)22-19(23-18)20-11-5-6-11/h7-9,11H,2-6,10H2,1H3,(H,21,25)(H,20,22,23)","","2022-02-02","2023-04-07","4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2023-04-12"],["A1LWE","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C11 H18 N5 O14 P3","CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C11H18N5O14P3/c1-26-7-6(17)4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1","","2024-01-15","2024-11-22","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-11-27"],["JVS","1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose","C7 H14 F O9 P","C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O;OC[CH]1O[C](CF)(O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)(CF)OP(=O)(O)O)O)O)O)O","InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1","1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-1-fluoro-2-O-phosphono-D-gluco-hept-2-ulose;\n1-deoxy-1-fluoro-2-O-phosphono-gluco-hept-2-ulose","2018-10-04","2020-07-17","1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose","2019-07-31"],["JVT","N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide","C19 H21 N5 O","O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4;CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2;CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3","InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19(25)18-16-4-2-3-5-17(16)21-22-18/h2-9H,10-13H2,1H3,(H,20,25)(H,21,22)","","2013-08-14","2015-08-28","N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide","2015-09-02"],["A1LWQ","3-(4-aminophenyl)-2-oxidanylidene-propanoic acid","C9 H9 N O3","Nc1ccc(CC(=O)C(O)=O)cc1;c1cc(ccc1CC(=O)C(=O)O)N","InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13)","","2024-01-16","2025-01-10","3-(4-aminophenyl)-2-oxidanylidene-propanoic acid","2025-01-15"],["JVU","1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C44 H61 N9 O5","NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)[CH](CC5CCCCC5)NC(=O)[CH](CCCCNC1=O)NC(N)=N)c4;c1ccc2cc(ccc2c1)CC3C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NCc4cccc(c4)CC(=O)N3)CC5CCCCC5)NC(=N)N)CCCCN","InChI=1S/C44H61N9O5/c45-21-8-6-17-35-40(55)48-22-9-7-18-36(53-44(46)47)42(57)52-37(25-29-11-2-1-3-12-29)41(56)49-28-32-14-10-13-30(23-32)27-39(54)50-38(43(58)51-35)26-31-19-20-33-15-4-5-16-34(33)24-31/h4-5,10,13-16,19-20,23-24,29,35-38H,1-3,6-9,11-12,17-18,21-22,25-28,45H2,(H,48,55)(H,49,56)(H,50,54)(H,51,58)(H,52,57)(H4,46,47,53)/t35-,36+,37+,38-/m0/s1","","2022-05-11","2023-03-17","1-[(5~{R},8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-03-22"],["JVX","N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide","C23 H30 Cl N3 O2","CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC(C)(C)C;CC(C)(C)NC(=O)[CH](N(C(=O)CCl)c1ccc(cc1)C(C)(C)C)c2cccnc2;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C)C)C(=O)CCl","InChI=1S/C23H30ClN3O2/c1-22(2,3)17-9-11-18(12-10-17)27(19(28)14-24)20(16-8-7-13-25-15-16)21(29)26-23(4,5)6/h7-13,15,20H,14H2,1-6H3,(H,26,29)/t20-/m1/s1","","2023-08-09","2024-09-27","N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide","2024-01-24"],["JVY","N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide","C19 H21 N3 O3 S","c21ncccc1c(cc(c2)c3c(C)onc3C)S(NC4CCCC4)(=O)=O;Cc1onc(C)c1c2cc3ncccc3c(c2)[S](=O)(=O)NC4CCCC4;Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4","InChI=1S/C19H21N3O3S/c1-12-19(13(2)25-21-12)14-10-17-16(8-5-9-20-17)18(11-14)26(23,24)22-15-6-3-4-7-15/h5,8-11,15,22H,3-4,6-7H2,1-2H3","","2018-10-05","2019-01-18","N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide","2019-01-23"],["A1LWW","5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide","C24 H19 F2 N7 O2","Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1;Cc1[nH]c2c(n1)cc(c(c2F)C#Cc3c(c(n(n3)Cc4cccc(c4)NC(=O)C=C)N)C(=O)N)F","InChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34)","","2024-01-22","2024-09-27","5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide","2024-06-26"],["JVZ","(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol","C19 H20 N2 O2","O[CH](COc1ccc2CCCc2c1)Cn3cnc4ccccc34;c1ccc2c(c1)ncn2CC(COc3ccc4c(c3)CCC4)O","InChI=1S/C19H20N2O2/c22-16(11-21-13-20-18-6-1-2-7-19(18)21)12-23-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-10,13,16,22H,3-5,11-12H2/t16-/m0/s1","","2019-04-05","2019-12-20","(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol","2019-12-25"],["A1LWZ","~{N}-[2-azanyl-3-fluoranyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3-cyclopentyl-propanamide","C22 H25 F4 N3 O","Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F)ccc1NC(=O)CCC3CCCC3;c1cc(ccc1CNc2ccc(c(c2F)N)NC(=O)CCC3CCCC3)C(F)(F)F","InChI=1S/C22H25F4N3O/c23-20-17(28-13-15-5-8-16(9-6-15)22(24,25)26)10-11-18(21(20)27)29-19(30)12-7-14-3-1-2-4-14/h5-6,8-11,14,28H,1-4,7,12-13,27H2,(H,29,30)","","2024-01-24","2024-12-27","~{N}-[2-azanyl-3-fluoranyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3-cyclopentyl-propanamide","2025-01-01"],["JW0","(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid","C24 H41 O7 P","C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](O)[C]12C)O[P](O)(O)=O;CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OP(=O)(O)O)C)O)C","InChI=1S/C24H41O7P/c1-14(4-9-22(26)27)18-7-8-19-17-6-5-15-12-16(31-32(28,29)30)10-11-23(15,2)20(17)13-21(25)24(18,19)3/h14-21,25H,4-13H2,1-3H3,(H,26,27)(H2,28,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1","","2023-08-10","2024-11-01","(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid","2024-11-06"],["JW1","{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid","C11 H16 B N O4","c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)Nc1cccc(c1)B(O)O;B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O","InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)","","2016-09-28","2024-09-27","{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid","2017-01-11"],["JW2","~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide","C13 H17 N3 O2","O=C(NCc1ccccn1)C(=O)NC2CCCC2;c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2","InChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18)","","2019-04-05","2019-11-22","~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide","2019-11-27"],["A1LXB","L-2,4-diketo-3-deoxyfuconate","C6 H8 O5","C[CH]1O[C](O)(CC1=O)C(O)=O;CC1C(=O)CC(O1)(C(=O)O)O","InChI=1S/C6H8O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3,10H,2H2,1H3,(H,8,9)/t3-,6-/m0/s1","(2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid","2024-01-31","2024-07-05","(2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid","2024-07-10"],["JW3","(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid","C12 H12 B N O4","O=C(c1cc(B(O)O)ccc1)NCc2occc2;OB(O)c1cccc(c1)C(=O)NCc2occc2;B(c1cccc(c1)C(=O)NCc2ccco2)(O)O","InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)","","2016-09-28","2024-09-27","(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid","2017-01-11"],["A1LXC","Salvianolic Acid B","C36 H32 O16","OC(=O)[CH](Cc1ccc(O)c(O)c1)OC(=O)CCc2ccc(O)c3O[CH]([CH](C(=O)O[CH](Cc4ccc(O)c(O)c4)C(O)=O)c23)c5ccc(O)c(O)c5;c1cc(c(cc1CC(C(=O)O)OC(=O)CCc2ccc(c3c2C(C(O3)c4ccc(c(c4)O)O)C(=O)OC(Cc5ccc(c(c5)O)O)C(=O)O)O)O)O","InChI=1S/C36H32O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-4,6-9,11-12,15,27-28,31-32,37-43H,5,10,13-14H2,(H,45,46)(H,47,48)/t27-,28-,31+,32-/m1/s1","","2024-01-31","2025-11-12","(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-[3-[(2~{S},3~{S})-2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-7-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]propanoyloxy]propanoic acid","2025-10-01"],["JW4","4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole","C25 H22 N4 O","c3(cc2nc(C1CC1)nc2c(c3)c5c4cccnc4ccc5C)c6c(C)noc6C;Cc1onc(C)c1c2cc3[nH]c(nc3c(c2)c4c(C)ccc5ncccc45)C6CC6;Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2","InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)","","2018-10-05","2019-01-18","5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methylquinoline","2019-01-23"],["JW5","6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE)","C10 H15 N2 O10 P","O=C1NC(=O)N(C(=C1)CO)C2OC(C(O)C2O)COP(=O)(O)O;OCC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)CO","InChI=1S/C10H15N2O10P/c13-2-4-1-6(14)11-10(17)12(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,13,15-16H,2-3H2,(H,11,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1","","2007-06-29","2011-06-04","6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)",""],["A1LXQ","dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate","C17 H13 N O6","COC(=O)c1cc(cc(c1)c2oc3C=CNC(=O)c3c2)C(=O)OC;COC(=O)c1cc(cc(c1)C(=O)OC)c2cc3c(o2)C=CNC3=O","InChI=1S/C17H13NO6/c1-22-16(20)10-5-9(6-11(7-10)17(21)23-2)14-8-12-13(24-14)3-4-18-15(12)19/h3-8H,1-2H3,(H,18,19)","","2024-02-04","2025-01-24","dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate","2025-01-29"],["JW6","1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C33 H48 N10 O6","NCCCC[CH]1NC(=O)[CH](Cc2ccc(O)c(N)c2)NC(=O)Cc3cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c3;c1cc2cc(c1)CNC(=O)CNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)Cc3ccc(c(c3)N)O)CCCCN)NC(=N)N","InChI=1S/C33H48N10O6/c34-12-3-1-8-24-30(47)38-13-4-2-9-25(43-33(36)37)31(48)40-19-29(46)39-18-22-7-5-6-20(14-22)17-28(45)41-26(32(49)42-24)16-21-10-11-27(44)23(35)15-21/h5-7,10-11,14-15,24-26,44H,1-4,8-9,12-13,16-19,34-35H2,(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)(H4,36,37,43)/t24-,25+,26-/m0/s1","","2022-05-11","2023-03-17","1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-03-22"],["A1LXU","5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione","C14 H20 N4 O8","CC(=O)CN1C(=O)CN(C[CH](O)[CH](O)[CH](O)CO)C2=C1C(=O)NC(=O)N2;CC(=O)CN1C(=O)CN(C2=C1C(=O)NC(=O)N2)CC(C(C(CO)O)O)O","InChI=1S/C14H20N4O8/c1-6(20)2-18-9(23)4-17(3-7(21)11(24)8(22)5-19)12-10(18)13(25)16-14(26)15-12/h7-8,11,19,21-22,24H,2-5H2,1H3,(H2,15,16,25,26)/t7-,8+,11-/m0/s1","","2024-02-05","2024-10-25","5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione","2024-10-30"],["JW7","5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone","C18 H20 N6 O","O=C2C=C(C(=NN2c1ccccc1)c3nncn3)NC4CCCCC4;O=C1C=C(NC2CCCCC2)C(=NN1c3ccccc3)c4[nH]cnn4;c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4","InChI=1S/C18H20N6O/c25-16-11-15(21-13-7-3-1-4-8-13)17(18-19-12-20-22-18)23-24(16)14-9-5-2-6-10-14/h2,5-6,9-13,21H,1,3-4,7-8H2,(H,19,20,22)","","2013-06-19","2014-09-05","5-(cyclohexylamino)-2-phenyl-6-(4H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one","2013-12-18"],["A1LXV","A-1210477","C46 H55 N7 O7 S","CN(C)[S](=O)(=O)N1CCN(CC1)c2ccc(OCc3n(C)nc(C)c3c4cccc5c(CCCOc6cccc7ccccc67)c(n(CCN8CCOCC8)c45)C(O)=O)cc2;Cc1c(c(n(n1)C)COc2ccc(cc2)N3CCN(CC3)S(=O)(=O)N(C)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)CCN8CCOCC8","InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)","1668553-26-1","2024-02-06","2025-01-24","7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethyl-pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid","2025-01-29"],["JW8","{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid","C9 H12 B N O4 S","c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O;OB(O)c1ccc(cc1)[S](=O)(=O)N2CCC2;B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O","InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2","","2016-09-28","2024-09-27","{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid","2017-01-11"],["JW9","4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol","C20 H21 N O","Oc1ccc(CN(C)C(C)c2cccc3ccccc32)cc1;C[CH](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23;CC(c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O","InChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1","","2021-09-30","2021-10-01","4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol","2021-10-06"],["A1LXX","4-[dodecyl(dimethyl)-$l^{4}-azanyl]butanoic acid","C18 H38 N O2","CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O;CCCCCCCCCCCC[N+](C)(C)CCCC(=O)O","InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3/p+1","","2024-02-06","2024-07-19","dodecyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium","2024-07-24"],["A1LXY","~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide","C24 H28 N2 O3","CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4cccc(O)c24;CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4c2c(ccc4)O","InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3","","2024-02-06","2024-11-22","~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide","2024-11-27"],["JWA","N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide","C19 H25 N3 O4 S","c1c(c(ccc1c2c(noc2CNC(=O)C)C)C)S(=O)(=O)NC3CCCC3;CC(=O)NCc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CCCC3;Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C","InChI=1S/C19H25N3O4S/c1-12-8-9-15(19-13(2)21-26-17(19)11-20-14(3)23)10-18(12)27(24,25)22-16-6-4-5-7-16/h8-10,16,22H,4-7,11H2,1-3H3,(H,20,23)","","2018-10-05","2019-01-18","N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide","2019-01-23"],["JWB","2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid","C11 H13 N O4","OC(=O)CN1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O;C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)O","InChI=1S/C11H13NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h5-6,8-9H,1-4H2,(H,13,14)/t5-,6+,8-,9+","","2019-04-05","2019-11-22","2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid","2019-11-27"],["JWC","6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide","C18 H19 N7 O2","COc1ncc(nc1C(=O)NCCc1nc(n[NH]1)c1cnccc1)C1CC1;COc1ncc(nc1C(=O)NCCc2[nH]nc(n2)c3cccnc3)C4CC4;COc1c(nc(cn1)C2CC2)C(=O)NCCc3[nH]nc(n3)c4cccnc4","InChI=1S/C18H19N7O2/c1-27-18-15(22-13(10-21-18)11-4-5-11)17(26)20-8-6-14-23-16(25-24-14)12-3-2-7-19-9-12/h2-3,7,9-11H,4-6,8H2,1H3,(H,20,26)(H,23,24,25)","","2022-02-02","2022-10-07","6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide","2022-10-12"],["JWD","5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline","C19 H17 N3 O2","c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C;Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C;Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C","InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3","","2018-10-05","2019-01-18","5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline","2019-01-23"],["JWE","5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine","C13 H8 Br F N4","Nc1ncc(Br)c2ccc(nc12)c3ccnc(F)c3;c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F","InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)","","2019-04-05","2020-05-01","5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine","2020-05-06"],["A1LYJ","(5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one","C12 H12 N2 O3 S","COc1cccc(C=C2SC(=N)NC2=O)c1OC;COc1cccc(c1OC)C=C2C(=O)NC(=N)S2","InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+","","2024-02-20","2024-11-29","(5~{E})-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one","2024-12-04"],["JWF","5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone","C23 H23 Cl N8 O","Clc5ccc(N4N=C(c1ncnn1)C(Nc3ccc(N2CCN(C)CC2)cc3)=CC4=O)cc5;CN1CCN(CC1)c2ccc(NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(Cl)cc5)cc2;CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl","InChI=1S/C23H23ClN8O/c1-30-10-12-31(13-11-30)18-8-4-17(5-9-18)27-20-14-21(33)32(19-6-2-16(24)3-7-19)29-22(20)23-25-15-26-28-23/h2-9,14-15,27H,10-13H2,1H3,(H,25,26,28)","","2013-06-19","2014-09-05","2-(4-chlorophenyl)-5-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-6-(1H-1,2,4-triazol-5-yl)pyridazin-3(2H)-one","2013-12-18"],["JWG","4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid","C7 H11 N O5","OC(=O)CCNC(=O)CCC(O)=O;C(CC(=O)O)C(=O)NCCC(=O)O","InChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13)","","2022-05-13","2024-09-27","4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid","2023-01-18"],["A1LYQ","SAR247799","C21 H16 Cl N3 O5","Cc1cc(cc(C)c1OCC(O)=O)c2oc3nc(Oc4cccc(Cl)c4)ncc3n2;Cc1cc(cc(c1OCC(=O)O)C)c2nc3cnc(nc3o2)Oc4cccc(c4)Cl","InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27)","2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid","2024-03-04","2024-12-06","2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid","2024-12-11"],["JWH","2-(octanoylamino)benzoic acid","C15 H21 N O3","CCCCCCCC(=O)Nc1ccccc1C(O)=O;CCCCCCCC(=O)Nc1ccccc1C(=O)O","InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)","","2019-04-05","2019-06-28","2-(octanoylamino)benzoic acid","2019-07-03"],["A1LYU","4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one","C25 H18 O4","CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23;CC1=CC(=O)Oc2c1ccc3c2c(c(o3)C(c4ccccc4)O)c5ccccc5","InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1","","2024-03-05","2024-05-17","4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one","2024-05-22"],["A1LYV","(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid","C17 H13 F3 N2 O6","OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O;c1cc(nc(c1)C(=O)NC(CC(=O)O)C(=O)O)c2ccc(cc2)OC(F)(F)F","InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1","","2024-03-07","2024-05-24","(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid","2024-05-29"],["JWI","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide","C26 H35 N3 O3","CC(C)(C)c1ccc(cc1)N(C(=O)CCO)C(c1cccnc1)C(=O)NC1CCCCC1;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)CCO;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCO","InChI=1S/C26H35N3O3/c1-26(2,3)20-11-13-22(14-12-20)29(23(31)15-17-30)24(19-8-7-16-27-18-19)25(32)28-21-9-5-4-6-10-21/h7-8,11-14,16,18,21,24,30H,4-6,9-10,15,17H2,1-3H3,(H,28,32)/t24-/m1/s1","","2023-08-09","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide","2024-01-24"],["A1LYY","(5~{Z})-3-[2-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]ethyl]-5-[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E})-2,7,11-trimethyl-13-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]trideca-2,4,6,8,10,12-hexaenylidene]furan-2-one","C40 H54 O5","CC(=CC=CC=C(C)C=C1OC(=O)C(=C1)CC[CH]2C(=C[CH](O)CC2(C)C)C)C=CC=C(C)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C;CC1=CC(CC(C1CCC2=CC(=CC(=CC=CC=C(C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C)C)OC2=O)(C)C)O","InChI=1S/C40H54O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,32-33,35,41-42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t32-,33-,35-,39+,40-/m0/s1","Uriolide","2024-03-08","2025-12-26","(5~{Z})-3-[2-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]ethyl]-5-[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E})-2,7,11-trimethyl-13-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]trideca-2,4,6,8,10,12-hexaenylidene]furan-2-one","2025-12-31"],["JWJ","7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole","C19 H20 N4 O2 S2","CC(C)Oc1c(C)c(ncc1C)CS(=O)c1nc2ccc3ncsc3c2[NH]1;CC(C)Oc1c(C)cnc(C[S](=O)c2[nH]c3c(ccc4ncsc34)n2)c1C;Cc1cnc(c(c1OC(C)C)C)CS(=O)c2[nH]c3c(n2)ccc4c3scn4","InChI=1S/C19H20N4O2S2/c1-10(2)25-17-11(3)7-20-15(12(17)4)8-27(24)19-22-13-5-6-14-18(16(13)23-19)26-9-21-14/h5-7,9-10H,8H2,1-4H3,(H,22,23)/t27-/m1/s1","","2022-02-02","2022-10-07","7-[(R)-{3,5-dimethyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methanesulfinyl]-8H-imidazo[4,5-g][1,3]benzothiazole","2022-10-12"],["JWK","2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol","C16 H15 F N4 O","CC(C)(O)c1cnc(N)c2nc(ccc12)c3ccnc(F)c3;CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O","InChI=1S/C16H15FN4O/c1-16(2,22)11-8-20-15(18)14-10(11)3-4-12(21-14)9-5-6-19-13(17)7-9/h3-8,22H,1-2H3,(H2,18,20)","","2019-04-05","2019-11-01","2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol","2019-11-06"],["A1LYZ","(4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate","C22 H31 N3 O6","COc1ccc(COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C=O)cc1;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCc2ccc(cc2)OC","InChI=1S/C22H31N3O6/c1-14(2)10-19(21(28)24-17(12-26)11-16-8-9-23-20(16)27)25-22(29)31-13-15-4-6-18(30-3)7-5-15/h4-7,12,14,16-17,19H,8-11,13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17-,19-/m0/s1","","2024-03-11","2024-08-30","(4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate","2024-09-04"],["JWL","6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide","C19 H27 N5 O4","C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O;CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])O","InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16-,17-/m1/s1","Beta-lactone antibacterial agent (open form)","2022-05-13","2024-09-27","6-azido-~{N}-[(2~{R})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide","2022-11-02"],["A1LZA","5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one","C24 H26 N4 O","Cc1ccccc1CN2CCN3C4=C(CN(CC4)Cc5ccccc5)C(=O)N=C23;Cc1ccccc1CN2CCN3C2=NC(=O)C4=C3CCN(C4)Cc5ccccc5","InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-27-13-14-28-22-11-12-26(15-19-8-3-2-4-9-19)17-21(22)23(29)25-24(27)28/h2-10H,11-17H2,1H3","","2024-03-16","2024-05-10","5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one","2024-05-15"],["JWM","N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide","C19 H22 N2 O6 S","N(C(C(=O)NO)C(C)(C)S(C)(=O)=O)C(c1ccc(C#CC#CCCO)cc1)=O;CC(C)([CH](NC(=O)c1ccc(cc1)C#CC#CCCO)C(=O)NO)[S](C)(=O)=O;CC(C)(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C","InChI=1S/C19H22N2O6S/c1-19(2,28(3,26)27)16(18(24)21-25)20-17(23)15-11-9-14(10-12-15)8-6-4-5-7-13-22/h9-12,16,22,25H,7,13H2,1-3H3,(H,20,23)(H,21,24)/t16-/m1/s1","","2018-10-05","2019-07-12","N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide","2019-07-17"],["A1LZB","7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one","C24 H30 N4 O4 S","CN1C=C(c2ccccc2OCC3CC3)c4nn(CC5CCN(CC5)[S](C)(=O)=O)cc4C1=O;CN1C=C(c2c(cn(n2)CC3CCN(CC3)S(=O)(=O)C)C1=O)c4ccccc4OCC5CC5","InChI=1S/C24H30N4O4S/c1-26-14-20(19-5-3-4-6-22(19)32-16-18-7-8-18)23-21(24(26)29)15-27(25-23)13-17-9-11-28(12-10-17)33(2,30)31/h3-6,14-15,17-18H,7-13,16H2,1-2H3","","2024-03-18","2025-03-07","7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one","2025-03-12"],["A1LZE","5-methyl-2-{[(2R)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl}-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one","C19 H25 N5 O4 S","C[CH]1CN(CCN1Cc2oc3C(=CN(C)C(=O)c3c2)c4ccn(C)n4)[S](C)(=O)=O;CC1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C","InChI=1S/C19H25N5O4S/c1-13-10-24(29(4,26)27)8-7-23(13)11-14-9-15-18(28-14)16(12-21(2)19(15)25)17-5-6-22(3)20-17/h5-6,9,12-13H,7-8,10-11H2,1-4H3/t13-/m1/s1","","2024-03-18","2025-03-07","5-methyl-2-[[(2~{R})-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl]-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one","2025-03-12"],["JWN","4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide","C28 H30 N6 O2","CN1CCN(CC1)C(=O)C(C)(C)c2ccc(cc2)C(=O)Nc3cn4cc(ccc4n3)c5ccncc5;CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C","InChI=1S/C28H30N6O2/c1-28(2,27(36)33-16-14-32(3)15-17-33)23-7-4-21(5-8-23)26(35)31-24-19-34-18-22(6-9-25(34)30-24)20-10-12-29-13-11-20/h4-13,18-19H,14-17H2,1-3H3,(H,31,35)","","2019-04-05","2019-04-19","4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide","2019-04-24"],["A1LZF","2-{[(3S)-1-benzylpyrrolidin-3-yl]methyl}-5-methyl-7-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-one","C23 H26 N6 O","Cn1ccc(n1)C2=CN(C)C(=O)c3cn(C[CH]4CCN(C4)Cc5ccccc5)nc23;Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CCN(C4)Cc5ccccc5)C","InChI=1S/C23H26N6O/c1-26-15-19(21-9-10-27(2)24-21)22-20(23(26)30)16-29(25-22)14-18-8-11-28(13-18)12-17-6-4-3-5-7-17/h3-7,9-10,15-16,18H,8,11-14H2,1-2H3/t18-/m0/s1","","2024-03-18","2025-03-07","5-methyl-7-(1-methylpyrazol-3-yl)-2-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-one","2025-03-12"],["JWO","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide","C27 H37 N3 O3","CC(C)(C)c1ccc(cc1)N(C(=O)C(C)(C)O)C(c1cccnc1)C(=O)NC1CCCCC1;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)C(C)(C)O;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC3)C(=O)C(C)(C)O","InChI=1S/C27H37N3O3/c1-26(2,3)20-13-15-22(16-14-20)30(25(32)27(4,5)33)23(19-10-9-17-28-18-19)24(31)29-21-11-7-6-8-12-21/h9-10,13-18,21,23,33H,6-8,11-12H2,1-5H3,(H,29,31)/t23-/m1/s1","","2023-08-09","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide","2024-01-24"],["A1LZQ","Trans-Geranyl 8-vinyl-bacteriochlorophyll B","C55 H70 Mg N4 O6","COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C;Cc1c2n3c(c1C(=O)C)C=C4C(C(C5=[N]4[Mg]36[N]7=C(C(C(C7=C2)C)CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N6C(=C5)C(=C9C(=O)C8C(=O)OC)C)C=C)C","InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,19,25,27-30,32,34-35,39-40,51H,1,14-18,20-24,26H2,2-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/t32?,34-,35+,39-,40+,51-;/m1./s1","","2024-03-27","2024-05-17","","2024-05-22"],["JWP","N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide","C22 H26 N2 O7 S","C(S(C(C)(C(C(=O)NO)NC(c1ccc(C#CC#CCCO)cc1)=O)C)(=O)=O)C2COC2;CC(C)([CH](NC(=O)c1ccc(cc1)C#CC#CCCO)C(=O)NO)[S](=O)(=O)CC2COC2;CC(C)(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2","InChI=1S/C22H26N2O7S/c1-22(2,32(29,30)15-17-13-31-14-17)19(21(27)24-28)23-20(26)18-10-8-16(9-11-18)7-5-3-4-6-12-25/h8-11,17,19,25,28H,6,12-15H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1","","2018-10-05","2019-07-12","N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide","2019-07-17"],["A1LZR","2-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]ethanoic acid","C20 H17 Br O5","Cc1c(OCc2cccc(Br)c2)ccc3C(=C(CC(O)=O)C(=O)Oc13)C;Cc1c(ccc2c1OC(=O)C(=C2C)CC(=O)O)OCc3cccc(c3)Br","InChI=1S/C20H17BrO5/c1-11-15-6-7-17(25-10-13-4-3-5-14(21)8-13)12(2)19(15)26-20(24)16(11)9-18(22)23/h3-8H,9-10H2,1-2H3,(H,22,23)","","2024-03-28","2025-09-19","2-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]ethanoic acid","2025-09-24"],["JWQ","(~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide","C14 H9 F3 N4 O3 S","COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(nn2)C(F)(F)F;COc1cc(ccc1O)C=C(C#N)C(=O)Nc2nnc(s2)C(F)(F)F","InChI=1S/C14H9F3N4O3S/c1-24-10-5-7(2-3-9(10)22)4-8(6-18)11(23)19-13-21-20-12(25-13)14(15,16)17/h2-5,22H,1H3,(H,19,21,23)/b8-4+","","2019-04-09","2020-04-03","(~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide","2020-04-08"],["A1LZU","[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate","C13 H21 O5 P","CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O;CC(C)c1cccc(c1OCOP(=O)(O)O)C(C)C","InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)","","2024-03-29","2024-05-17","[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate","2024-05-22"],["JWR","2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","C18 H11 Cl2 N5 O","Clc1nccc(c1Cl)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;Clc1nccc(C(=O)Nc2ccn3nc(nc3c2)c4ccccc4)c1Cl;c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4ccnc(c4Cl)Cl","InChI=1S/C18H11Cl2N5O/c19-15-13(6-8-21-16(15)20)18(26)22-12-7-9-25-14(10-12)23-17(24-25)11-4-2-1-3-5-11/h1-10H,(H,22,26)","","2022-02-02","2022-10-07","2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","2022-10-12"],["A1LZV","Cdp-DG(16:0/16:0)","C44 H81 N3 O15 P2","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1","1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate; [(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate","2024-03-29","2024-11-27","[(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate","2024-11-20"],["JWS","2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol","C10 H11 N5 O2","n1c(nc(nc1c2c(O)ccc(OC)c2)N)N;COc1ccc(O)c(c1)c2nc(N)nc(N)n2;COc1ccc(c(c1)c2nc(nc(n2)N)N)O","InChI=1S/C10H11N5O2/c1-17-5-2-3-7(16)6(4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15)","","2010-12-14","2011-06-04","2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol",""],["JWT","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide","C18 H17 F N4 O4 S","Fc1ccc(cc1)S(=O)(=O)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C;CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccc(F)cc3;CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F","InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-9-7-13(19)8-10-14)15-16(20)23(18(25)21-17(15)24)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,24,25)","","2012-07-31","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide","2012-10-26"],["A1LZY","1-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C30 H29 F N4 O4","CCC(CC)c1nn(c2ccc(F)cc2)c3nc(OCCc4nc(oc4C)c5ccccc5)cc(C(O)=O)c13;CCC(CC)c1c2c(cc(nc2n(n1)c3ccc(cc3)F)OCCc4c(oc(n4)c5ccccc5)C)C(=O)O","InChI=1S/C30H29FN4O4/c1-4-19(5-2)27-26-23(30(36)37)17-25(33-28(26)35(34-27)22-13-11-21(31)12-14-22)38-16-15-24-18(3)39-29(32-24)20-9-7-6-8-10-20/h6-14,17,19H,4-5,15-16H2,1-3H3,(H,36,37)","","2024-03-31","2025-03-28","1-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2025-04-02"],["A1LZZ","(4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide","C26 H37 N7 O2","CN1CC[CH](C[CH](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5;Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CC(CCN(C4)C)C(=O)NC5CCCCC5)C","InChI=1S/C26H37N7O2/c1-30-11-9-19(25(34)27-20-7-5-4-6-8-20)13-18(14-30)15-33-17-22-24(29-33)21(16-31(2)26(22)35)23-10-12-32(3)28-23/h10,12,16-20H,4-9,11,13-15H2,1-3H3,(H,27,34)/t18-,19-/m0/s1","","2024-04-01","2025-03-07","(4~{R},6~{S})-~{N}-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide","2025-03-12"],["JWV","N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide","C19 H20 N2 O7 S","C(CO)C#CC#Cc1ccc(cc1)C(=O)NC(C2(CS(C2)(=O)=O)OC)C(=O)NO;COC1(C[S](=O)(=O)C1)[CH](NC(=O)c2ccc(cc2)C#CC#CCCO)C(=O)NO;COC1(CS(=O)(=O)C1)C(C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO","InChI=1S/C19H20N2O7S/c1-28-19(12-29(26,27)13-19)16(18(24)21-25)20-17(23)15-9-7-14(8-10-15)6-4-2-3-5-11-22/h7-10,16,22,25H,5,11-13H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1","","2018-10-05","2019-07-12","N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide","2019-07-17"],["1M6","3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile","C21 H20 N4 O2","N#Cc1cccc(c1)c4ccc3OC(CC2(N=C(N(C2=O)C)N)c3c4)(C)C;CN1C(=N[C]2(CC(C)(C)Oc3ccc(cc23)c4cccc(c4)C#N)C1=O)N;CC1(CC2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C","InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24)/t21-/m1/s1","","2013-03-26","2013-04-05","3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile","2013-04-10"],["JWW","2-heptylquinoline-3,4-diol","C16 H21 N O2","CCCCCCCc1nc2ccccc2c(O)c1O;CCCCCCCc1c(c(c2ccccc2n1)O)O","InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)","","2019-04-09","2019-06-28","2-heptylquinoline-3,4-diol","2019-07-03"],["1M7","(4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one","C19 H21 N5 O","O=C1N(C(=NC14c3c(ccc(c2cncnc2)c3)CC(C4)(C)C)N)C;CN1C(=N[C]2(CC(C)(C)Cc3ccc(cc23)c4cncnc4)C1=O)N;CC1(Cc2ccc(cc2C3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C","InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1","","2013-03-26","2013-04-05","(4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one","2013-04-10"],["JWX","(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine","C22 H22 N2","CC(c1cccc2ccccc21)N(C)Cc1c[NH]c2ccccc21;C[CH](N(C)Cc1c[nH]c2ccccc12)c3cccc4ccccc34;CC(c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4","InChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1","","2021-08-30","2021-09-03","(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine","2021-09-08"],["1M8","5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide","C22 H19 Cl N2 O2 S","O=C(c2sc(c1c(Cl)cccc1)cc2)Nc4cc(C(=O)NC3CC3)ccc4C;Cc1ccc(cc1NC(=O)c2sc(cc2)c3ccccc3Cl)C(=O)NC4CC4;Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4","InChI=1S/C22H19ClN2O2S/c1-13-6-7-14(21(26)24-15-8-9-15)12-18(13)25-22(27)20-11-10-19(28-20)16-4-2-3-5-17(16)23/h2-7,10-12,15H,8-9H2,1H3,(H,24,26)(H,25,27)","","2013-05-03","2013-06-07","5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide","2013-06-12"],["JWY","N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea","C24 H21 Cl F N5 O2","c2c(NC(Nc1ccccc1)=O)c(cc(c2C=3C(=O)N(c4c(C=3)cnc(c4)NC)CC)Cl)F;CCN1C(=O)C(=Cc2cnc(NC)cc12)c3cc(NC(=O)Nc4ccccc4)c(F)cc3Cl;CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC","InChI=1S/C24H21ClFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)","","2018-10-05","2019-07-26","N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea","2019-07-31"],["JWZ","4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide","C35 H57 N7 O2","CN(CCCN1CN(c2ccccc2)[C]3(CCN(CC[CH]4CC[CH]5C[CH]4C5(C)C)CC3)C1=O)CC6(O)CCN(CC6)C(N)=N;CC1(C2CCC(C1C2)CCN3CCC4(CC3)C(=O)N(CN4c5ccccc5)CCCN(C)CC6(CCN(CC6)C(=N)N)O)C","InChI=1S/C35H57N7O2/c1-33(2)28-11-10-27(30(33)24-28)12-19-39-20-15-35(16-21-39)31(43)41(26-42(35)29-8-5-4-6-9-29)18-7-17-38(3)25-34(44)13-22-40(23-14-34)32(36)37/h4-6,8-9,27-28,30,44H,7,10-26H2,1-3H3,(H3,36,37)/t27-,28-,30-/m0/s1","","2019-04-09","2020-05-08","4-[[3-[8-[2-[(1~{S},2~{S},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethyl]-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]propyl-methyl-amino]methyl]-4-oxidanyl-piperidine-1-carboximidamide","2020-05-13"],["1M9","2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid","C25 H28 F3 N O4","O=C(N(c2ccc(Oc1ccccc1C(F)(F)F)cc2C(=O)O)C(C)C)C3CCC(C)CC3;CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c2ccc(Oc3ccccc3C(F)(F)F)cc2C(O)=O;CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C","InChI=1S/C25H28F3NO4/c1-15(2)29(23(30)17-10-8-16(3)9-11-17)21-13-12-18(14-19(21)24(31)32)33-22-7-5-4-6-20(22)25(26,27)28/h4-7,12-17H,8-11H2,1-3H3,(H,31,32)/t16-,17-","","2013-03-26","2013-06-07","2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid","2013-06-12"],["JX0","[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone","C18 H18 Cl N3 O S","Clc1ccc(cc1)n1nc(C)c2cc(sc21)C(=O)N1CCCCC1;Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)N4CCCCC4;Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)N4CCCCC4","InChI=1S/C18H18ClN3OS/c1-12-15-11-16(17(23)21-9-3-2-4-10-21)24-18(15)22(20-12)14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10H2,1H3","","2022-02-02","2022-10-07","[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone","2022-10-12"],["1MA","6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23;CN1C=Nc2n(cnc2C1=N)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CN1C=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C1=N","InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1","","1999-07-08","2018-04-17","1-methyladenosine 5'-(dihydrogen phosphate)",""],["JX1","N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide","C28 H23 N3 O5","COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(c(O)cc3O)c4ccc(C)c5ncccc45;Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC","InChI=1S/C28H23N3O5/c1-15-6-11-19(20-5-4-12-29-26(15)20)21-13-22(24(34)14-23(21)33)27-25(28(36-31-27)30-16(2)32)17-7-9-18(35-3)10-8-17/h4-14,33-34H,1-3H3,(H,30,32)","","2017-06-15","2018-06-29","~{N}-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide","2018-07-04"],["1MB","1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one","C21 H12 F5 N3 O2","FC(F)(F)c4cccnc4Oc3ccc1c(C(=O)N=CN1Cc2ccc(F)cc2F)c3;Fc1ccc(CN2C=NC(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc23)c(F)c1;c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F","InChI=1S/C21H12F5N3O2/c22-13-4-3-12(17(23)8-13)10-29-11-28-19(30)15-9-14(5-6-18(15)29)31-20-16(21(24,25)26)2-1-7-27-20/h1-9,11H,10H2","","2013-03-26","2013-06-07","1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one","2013-06-12"],["JX2","3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide","C30 H33 N3 O4","COc1ccc(cc1C#CC(=O)NCc2occc2)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35;COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)C4C3CC=CC4)C5CCCCCC5","InChI=1S/C30H33N3O4/c1-36-27-16-14-22(19-21(27)15-17-28(34)31-20-24-11-8-18-37-24)29-25-12-6-7-13-26(25)30(35)33(32-29)23-9-4-2-3-5-10-23/h6-8,11,14,16,18-19,23,25-26H,2-5,9-10,12-13,20H2,1H3,(H,31,34)/t25-,26+/m0/s1","","2019-04-10","2019-07-19","3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide","2019-07-24"],["1MC","1-METHYLCYTOSINE","C5 H7 N3 O","O=C1N=C(N)C=CN1C;CN1C=CC(=NC1=O)N;CN1C=CC(=NC1=O)N","InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)","","1999-07-08","2011-06-04","4-amino-1-methylpyrimidin-2(1H)-one",""],["JX4","6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine","C21 H23 N7 O","c1c(c(OC)cc2ncc(n12)c3nc(ccc3)NC4CNCC4)c5cn(C)nc5;COc1cc2ncc(n2cc1c3cnn(C)c3)c4cccc(N[CH]5CCNC5)n4;Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)NC5CCNC5","InChI=1S/C21H23N7O/c1-27-12-14(9-24-27)16-13-28-18(11-23-21(28)8-19(16)29-2)17-4-3-5-20(26-17)25-15-6-7-22-10-15/h3-5,8-9,11-13,15,22H,6-7,10H2,1-2H3,(H,25,26)/t15-/m1/s1","","2018-10-05","2019-10-11","6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine","2019-10-16"],["1MD","2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide","C19 H20 Cl2 N4 O2","Clc3ccc(c1c2C(=O)N(Cc2nc(c1CN)C)CC(=O)N(C)C)c(Cl)c3;CN(C)C(=O)CN1Cc2nc(C)c(CN)c(c3ccc(Cl)cc3Cl)c2C1=O;Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN","InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3/h4-6H,7-9,22H2,1-3H3","","2013-03-27","2013-08-30","2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide","2013-09-04"],["JX5","(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid","C20 H25 I N4 O9","OC(=O)CC[CH](NC(=O)NC[CH](NC(=O)CCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O;c1cc(ccc1C(=O)NCCCC(=O)NC(CNC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)I","InChI=1S/C20H25IN4O9/c21-12-5-3-11(4-6-12)17(29)22-9-1-2-15(26)24-14(19(32)33)10-23-20(34)25-13(18(30)31)7-8-16(27)28/h3-6,13-14H,1-2,7-10H2,(H,22,29)(H,24,26)(H,27,28)(H,30,31)(H,32,33)(H2,23,25,34)/t13-,14+/m0/s1","","2019-04-10","2020-05-08","(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid","2020-05-13"],["1ME","(2S)-2-AMINO-3-METHYLSULFANYL-BUTANOIC ACID","C5 H11 N O2 S","CS[CH](C)[CH](N)C(O)=O;CC(C(C(=O)O)N)SC","InChI=1S/C5H11NO2S/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m0/s1","","2011-01-24","2023-09-23","(2~{S})-2-azanyl-3-methylsulfanyl-butanoic acid",""],["1MF","4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid","C40 H39 N O6","O=C(O)c1ccc(cc1)CN(CCCCC(=O)O)CCc5ccccc5OCc4ccc(c3ccc(Oc2ccccc2)cc3)cc4;OC(=O)CCCCN(CCc1ccccc1OCc2ccc(cc2)c3ccc(Oc4ccccc4)cc3)Cc5ccc(cc5)C(O)=O;c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O","InChI=1S/C40H39NO6/c42-39(43)12-6-7-26-41(28-30-13-19-35(20-14-30)40(44)45)27-25-34-8-4-5-11-38(34)46-29-31-15-17-32(18-16-31)33-21-23-37(24-22-33)47-36-9-2-1-3-10-36/h1-5,8-11,13-24H,6-7,12,25-29H2,(H,42,43)(H,44,45)","","2013-03-27","2013-11-15","4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid","2013-11-20"],["JX6","N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C22 H33 N3 O5","CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2","InChI=1S/C22H33N3O5/c1-22(2,3)12-18(25-21(29)30-14-15-7-5-4-6-8-15)20(28)24-17(13-26)11-16-9-10-23-19(16)27/h4-8,16-18,26H,9-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17+,18-/m0/s1","","2023-08-09","2024-09-27","N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2024-08-14"],["1MG","1N-METHYLGUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O8 P","O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3O)COP(=O)(O)O;CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)N;CN1C(=O)c2c(n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N=C1N","InChI=1S/C11H16N5O8P/c1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","1-methylguanosine 5'-(dihydrogen phosphate)",""],["JX7","5-carbamimidamido-2-oxopentanoic acid","C6 H11 N3 O3","O=C(CCCNC(=N)N)C(O)=O;NC(=N)NCCCC(=O)C(O)=O;C(CC(=O)C(=O)O)CNC(=N)N","InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)","","2018-10-08","2018-11-16","5-carbamimidamido-2-oxopentanoic acid","2018-11-21"],["1MH","3-pyridin-3-yl-L-alanine","C8 H10 N2 O2","O=C(O)C(N)Cc1cccnc1;N[CH](Cc1cccnc1)C(O)=O;c1cc(cnc1)CC(C(=O)O)N","InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1","","2013-03-28","2024-09-27","3-pyridin-3-yl-L-alanine","2013-06-12"],["JX8","5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol","C10 H7 N5 O","Oc1ccc(c2[nH]nnn2)c3cccnc13;c1cc2c(ccc(c2nc1)O)c3[nH]nnn3","InChI=1S/C10H7N5O/c16-8-4-3-7(10-12-14-15-13-10)6-2-1-5-11-9(6)8/h1-5,16H,(H,12,13,14,15)","","2019-04-10","2020-05-08","5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol","2020-05-13"],["JX9","N-cyclohexyl-N-methyl-7H-purin-6-amine","C12 H17 N5","CN(c1ncnc2nc[NH]c12)C1CCCCC1;CN(C1CCCCC1)c2ncnc3nc[nH]c23;CN(c1c2c(nc[nH]2)ncn1)C3CCCCC3","InChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16)","","2022-02-02","2022-10-07","N-cyclohexyl-N-methyl-7H-purin-6-amine","2022-10-12"],["1MI","2-(hydroxymethyl)butane-1,4-diol","C5 H12 O3","OCCC(CO)CO;C(CO)C(CO)CO","InChI=1S/C5H12O3/c6-2-1-5(3-7)4-8/h5-8H,1-4H2","","2021-07-05","2021-11-26","2-(hydroxymethyl)butane-1,4-diol","2021-12-01"],["1MJ","1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde","C8 H6 N2 O","O=Cc1cc2c(nc1)ccn2;O=Cc1cnc2cc[nH]c2c1;c1c[nH]c2c1ncc(c2)C=O","InChI=1S/C8H6N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-5,9H","","2013-03-29","2013-04-26","1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde","2013-05-01"],["JXA","(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol","C13 H14 Cl2 N4 O2","C1(C(CNC1Cn3cc(c2cc(cc(Cl)c2)Cl)nn3)O)O;O[CH]1CN[CH](Cn2cc(nn2)c3cc(Cl)cc(Cl)c3)[CH]1O;c1c(cc(cc1Cl)Cl)c2cn(nn2)CC3C(C(CN3)O)O","InChI=1S/C13H14Cl2N4O2/c14-8-1-7(2-9(15)3-8)10-5-19(18-17-10)6-11-13(21)12(20)4-16-11/h1-3,5,11-13,16,20-21H,4,6H2/t11-,12-,13+/m1/s1","","2018-10-08","2019-06-14","(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol","2019-06-19"],["JXB","9-(4-azidobutyl)-8-bromanyl-purin-6-amine","C9 H11 Br N8","Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N","InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14)","","2019-04-11","2020-02-14","9-(4-azidobutyl)-8-bromanyl-purin-6-amine","2020-02-19"],["1MK","chlorido(eta-6-p-cymene)(N-fluorophenyl-2-pyridinecarbothioamide)osmium(II)","C22 H23 Cl F N2 Os S","Fc1ccc(cc1)NC(=S)c2n(cccc2)[Os]4(Cl)C=3(C=CC4(=CC=3)C(C)C)C;CC(C)c12|[Os](Cl)(|n3ccccc3C(=S)Nc4ccc(F)cc4)|c(C)(cc1)cc2;CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C","InChI=1S/C12H9FN2S.C10H14.ClH.Os/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-8H,(H,15,16);4-8H,1-3H3;1H;/q;;;+1/p-1","","2013-04-01","2013-04-12","chloro[N-(4-fluorophenyl)pyridine-2-carbothioamide-kappaN~1~][1-methyl-4-(propan-2-yl)benzene-kappa~2~C~1~,C~4~]osmium","2013-04-17"],["1ML","5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid","C32 H36 N2 O6","O=C(N(c3ccc(Oc2ccc(NC(=O)c1ccc(OC)cc1)cc2)cc3C(=O)O)C(C)C)C4CCC(C)CC4;COc1ccc(cc1)C(=O)Nc2ccc(Oc3ccc(N(C(C)C)C(=O)[CH]4CC[CH](C)CC4)c(c3)C(O)=O)cc2;CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C","InChI=1S/C32H36N2O6/c1-20(2)34(31(36)23-7-5-21(3)6-8-23)29-18-17-27(19-28(29)32(37)38)40-26-15-11-24(12-16-26)33-30(35)22-9-13-25(39-4)14-10-22/h9-21,23H,5-8H2,1-4H3,(H,33,35)(H,37,38)/t21-,23-","","2013-04-01","2013-10-25","5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid","2013-10-30"],["JXD","2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose","C46 H78 N2 O17 P2","C1(O)C(O)C(C(OC1CO)OC2C(O)C(C(OC2CO)OP(=O)(OP(O)(OC[C@H]=C(CC[C@H]=C(C)CC[C@H]=C(CCC=C(CCC=C(/C)CC[C@H]=C(C)C)C)C)C)=O)O)NC(C)=O)NC(C)=O;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)[CH](O)[CH]1NC(C)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)NC(=O)C)C)C)C)C)C)C","InChI=1S/C46H78N2O17P2/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)25-26-60-66(56,57)65-67(58,59)64-46-40(48-36(9)52)43(55)44(38(28-50)62-46)63-45-39(47-35(8)51)42(54)41(53)37(27-49)61-45/h15,17,19,21,23,25,37-46,49-50,53-55H,10-14,16,18,20,22,24,26-28H2,1-9H3,(H,47,51)(H,48,52)(H,56,57)(H,58,59)/b30-17+,31-19+,32-21-,33-23-,34-25-/t37-,38-,39+,40-,41-,42-,43-,44-,45+,46-/m1/s1","","2018-10-09","2018-10-12","2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose","2018-10-17"],["1MM","METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE","C14 H15 N5 O6 S","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C;COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2;Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC","InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)","METSULFURON METHYL","2004-07-01","2021-03-01","methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate",""],["JXE","8-bromanyl-9-(4-bromanylbutyl)purin-6-amine","C9 H11 Br2 N5","Nc1ncnc2n(CCCCBr)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N","InChI=1S/C9H11Br2N5/c10-3-1-2-4-16-8-6(15-9(16)11)7(12)13-5-14-8/h5H,1-4H2,(H2,12,13,14)","","2019-04-11","2020-02-14","8-bromanyl-9-(4-bromanylbutyl)purin-6-amine","2020-02-19"],["1MN","(2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one","C24 H21 Br2 N O2","Brc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Br)cc2)C)Cc4ccccc4;CN1[CH]([CH](O[CH](Cc2ccccc2)C1=O)c3ccc(Br)cc3)c4ccc(Br)cc4;CN1C(C(OC(C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br","InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1","","2013-04-02","2013-04-26","(2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one","2013-05-01"],["JXF","(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid","C16 H20 N2 O6 S","CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2ccccc2)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)COc2ccccc2)C(=O)O)C","InChI=1S/C16H20N2O6S/c1-16(2)12(15(22)23)18-13(25-16)11(14(20)21)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1","","2022-08-30","2023-08-25","(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid","2023-08-30"],["1MO","(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one","C24 H21 Cl2 N O2","Clc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C)Cc4ccccc4;CN1[CH]([CH](O[CH](Cc2ccccc2)C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4;CN1C(C(OC(C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl","InChI=1S/C24H21Cl2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1","","2013-04-02","2013-04-26","(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one","2013-05-01"],["JXG","(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide","C8 H13 N3 O6 S","OS(=O)(=O)ONC1CN(C(C(=C1)C)C(=O)N)C=O;CC1=C[CH](CN(C=O)[CH]1C(N)=O)NO[S](O)(=O)=O;CC1=CC(CN(C1C(=O)N)C=O)NOS(=O)(=O)O","InChI=1S/C8H13N3O6S/c1-5-2-6(10-17-18(14,15)16)3-11(4-12)7(5)8(9)13/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7+/m1/s1","ETX2514 bound form","2018-10-09","2024-09-27","(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide","2019-02-27"],["1MQ","(2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid","C28 H24 Cl2 F N O4","Clc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(/C=C/C)C(=O)O)Cc4ccc(F)cc4;CC=C[CH](N1[CH]([CH](O[CH](Cc2ccc(F)cc2)C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4)C(O)=O;CC=CC(C(=O)O)N1C(C(OC(C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl","InChI=1S/C28H24Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h2-15,23-26H,16H2,1H3,(H,34,35)/b3-2+/t23-,24+,25-,26+/m1/s1","","2013-04-02","2013-04-26","(2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid","2013-05-01"],["JXH","8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine","C10 H12 Br N5 O","Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3CCCCO3)N","InChI=1S/C10H12BrN5O/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,13,14)/t6-/m1/s1","","2019-04-11","2020-02-14","8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine","2020-02-19"],["1MR","N-METHYLANILINE","C7 H9 N","N(c1ccccc1)C;CNc1ccccc1;CNc1ccccc1","InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3","","2007-02-13","2011-06-04","N-methylaniline",""],["JXI","1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C18 H16 N6 O","Cn1cc(nc1/C=C/C1=Nc2c(cnn2C)C(=O)N1)c1ccccc1;Cn1cc(nc1C=CC2=Nc3n(C)ncc3C(=O)N2)c4ccccc4;Cn1cc(nc1C=CC2=Nc3c(cnn3C)C(=O)N2)c4ccccc4","InChI=1S/C18H16N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-11H,1-2H3,(H,21,22,25)/b9-8+","","2022-02-02","2025-07-25","1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2022-10-12"],["1MS","N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide","C12 H11 N5 O5 S","O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2[N+]([O-])=O;Cc1ccnc(NC(=O)N[S](=O)(=O)c2ccccc2[N+]([O-])=O)n1;Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-]","InChI=1S/C12H11N5O5S/c1-8-6-7-13-11(14-8)15-12(18)16-23(21,22)10-5-3-2-4-9(10)17(19)20/h2-7H,1H3,(H2,13,14,15,16,18)","","2008-10-06","2011-06-04","N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide",""],["JXJ","1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid","C14 H19 N5 O9 S2","CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NOC1(CC1)C(O)=O)c2csc(N)n2)C=O;CC(C)(C(C=O)NC(=O)C(=NOC1(CC1)C(=O)O)c2csc(n2)N)NOS(=O)(=O)O","InChI=1S/C14H19N5O9S2/c1-13(2,19-28-30(24,25)26)8(5-20)17-10(21)9(7-6-29-12(15)16-7)18-27-14(3-4-14)11(22)23/h5-6,8,19H,3-4H2,1-2H3,(H2,15,16)(H,17,21)(H,22,23)(H,24,25,26)/b18-9-/t8-/m1/s1","","2022-08-31","2024-09-27","1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid","2022-11-02"],["1MT","(2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","C25 H29 Cl2 F N4 O2","Clc1cccc(c1F)C4C(C(=O)NCCN)NC(C24c3c(NC2=O)cc(Cl)cc3)CC(C)(C)C;CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]13C(=O)Nc4cc(Cl)ccc34)C(=O)NCCN;CC(C)(C)CC1C2(c3ccc(cc3NC2=O)Cl)C(C(N1)C(=O)NCCN)c4cccc(c4F)Cl","InChI=1S/C25H29Cl2FN4O2/c1-24(2,3)12-18-25(15-8-7-13(26)11-17(15)31-23(25)34)19(14-5-4-6-16(27)20(14)28)21(32-18)22(33)30-10-9-29/h4-8,11,18-19,21,32H,9-10,12,29H2,1-3H3,(H,30,33)(H,31,34)/t18-,19-,21+,25+/m0/s1","","2013-04-02","2013-04-26","(2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","2013-05-01"],["JXK","9-(3-azanylpropyl)-8-bromanyl-purin-6-amine","C8 H11 Br N6","NCCCn1c(Br)nc2c(N)ncnc12;c1nc(c2c(n1)n(c(n2)Br)CCCN)N","InChI=1S/C8H11BrN6/c9-8-14-5-6(11)12-4-13-7(5)15(8)3-1-2-10/h4H,1-3,10H2,(H2,11,12,13)","","2019-04-11","2020-02-14","9-(3-azanylpropyl)-8-bromanyl-purin-6-amine","2020-02-19"],["1MU","3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid","C14 H13 N O6 S2","O=S(=O)(c1c(scc1)C(=O)O)NCCc2ccc(C(=O)O)cc2;OC(=O)c1ccc(CCN[S](=O)(=O)c2ccsc2C(O)=O)cc1;c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O","InChI=1S/C14H13NO6S2/c16-13(17)10-3-1-9(2-4-10)5-7-15-23(20,21)11-6-8-22-12(11)14(18)19/h1-4,6,8,15H,5,7H2,(H,16,17)(H,18,19)","","2013-04-02","2014-04-25","3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid","2014-04-30"],["JXL","[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid","C5 H6 B F3 N2 O2","Cn1nc(cc1B(O)O)C(F)(F)F;B(c1cc(nn1C)C(F)(F)F)(O)O","InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3","","2023-08-10","2024-01-19","[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid","2024-01-24"],["1MV","({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)","C14 H15 N3 O6 P2 S","O=P(O)(O)C(Nc1ncnc2sc(cc12)c3ccc(cc3)C)P(=O)(O)O;Cc1ccc(cc1)c2sc3ncnc(NC([P](O)(O)=O)[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C14H15N3O6P2S/c1-8-2-4-9(5-3-8)11-6-10-12(15-7-16-13(10)26-11)17-14(24(18,19)20)25(21,22)23/h2-7,14H,1H3,(H,15,16,17)(H2,18,19,20)(H2,21,22,23)","","2013-04-02","2013-12-27","({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)","2014-01-01"],["JXM","(8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","C20 H23 F3 N4 O3","FC(F)(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CC(O)c4ccccc4;O[CH](CN1[CH](CCN2C(=O)C=C(N=C12)N3CCOCC3)C(F)(F)F)c4ccccc4;c1ccc(cc1)C(CN2C(CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O","InChI=1S/C20H23F3N4O3/c21-20(22,23)16-6-7-26-18(29)12-17(25-8-10-30-11-9-25)24-19(26)27(16)13-15(28)14-4-2-1-3-5-14/h1-5,12,15-16,28H,6-11,13H2/t15-,16-/m0/s1","","2014-08-12","2014-11-21","(8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","2014-11-26"],["1MW","3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid","C15 H15 N O6 S2","O=S(=O)(c1c(scc1)C(=O)O)NCCCc2ccc(C(=O)O)cc2;OC(=O)c1ccc(CCCN[S](=O)(=O)c2ccsc2C(O)=O)cc1;c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O","InChI=1S/C15H15NO6S2/c17-14(18)11-5-3-10(4-6-11)2-1-8-16-24(21,22)12-7-9-23-13(12)15(19)20/h3-7,9,16H,1-2,8H2,(H,17,18)(H,19,20)","","2013-04-02","2014-05-02","3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid","2014-05-07"],["JXN","8-bromanyl-9-ethyl-purin-6-amine","C7 H8 Br N5","CCn1c(Br)nc2c(N)ncnc12;CCn1c2c(c(ncn2)N)nc1Br","InChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11)","","2019-04-11","2020-02-14","8-bromanyl-9-ethyl-purin-6-amine","2020-02-19"],["JXO","6-chloroquinoxalin-2-amine","C8 H6 Cl N3","Clc1ccc2nc(N)cnc2c1;Nc1cnc2cc(Cl)ccc2n1;c1cc2c(cc1Cl)ncc(n2)N","InChI=1S/C8H6ClN3/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H,(H2,10,12)","","2022-02-02","2022-10-07","6-chloroquinoxalin-2-amine","2022-10-12"],["1MX","2-amino-4-oxo-N-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide","C16 H16 N8 O3","O=C(Nc1ccccc1)NCCNC(=O)c2nc3N=C(N)NC(=O)c3nc2;NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCCNC(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C16H16N8O3/c17-15-23-12-11(14(26)24-15)20-8-10(22-12)13(25)18-6-7-19-16(27)21-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,18,25)(H2,19,21,27)(H3,17,22,23,24,26)","","2013-10-18","2014-01-10","2-amino-4-oxo-N-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide","2014-01-15"],["JXP","7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C18 H13 Cl F N5 O","c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N;Nc1cc(OCc2cc(ccc2Cl)c3cccc(F)c3)c4[nH]nnc4n1;c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl","InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)","","2018-10-09","2019-02-01","7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2019-02-06"],["1MY","{(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid","C22 H23 Cl2 N O5","Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(CC)CO)CC(=O)O;CC[CH](CO)N1[CH]([CH](O[CH](CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3;CCC(CO)N1C(C(OC(C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C22H23Cl2NO5/c1-2-17(12-26)25-20(13-6-8-15(23)9-7-13)21(14-4-3-5-16(24)10-14)30-18(22(25)29)11-19(27)28/h3-10,17-18,20-21,26H,2,11-12H2,1H3,(H,27,28)/t17-,18-,20+,21-/m0/s1","","2013-04-02","2013-04-26","{(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid","2013-05-01"],["JXQ","9-hex-5-ynylpurin-6-amine","C11 H13 N5","Nc1ncnc2n(CCCCC#C)cnc12;C#CCCCCn1cnc2c1ncnc2N","InChI=1S/C11H13N5/c1-2-3-4-5-6-16-8-15-9-10(12)13-7-14-11(9)16/h1,7-8H,3-6H2,(H2,12,13,14)","","2019-04-11","2020-02-14","9-hex-5-ynylpurin-6-amine","2020-02-19"],["1MZ","1-METHYLIMIDAZOLE","C4 H7 N2","c1c[nH+]cn1C;Cn1cc[nH+]c1;Cn1cc[nH+]c1","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1","","1999-07-08","2011-06-04","1-methyl-1H-imidazol-3-ium",""],["1N","1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine","C28 H37 N13 O2","NC(=N)N[CH]1C[CH](Nc2ccc(NC(N)=N)cc2)[CH](C[CH]1Oc3ccc(NC(N)=N)cc3)Oc4ccc(NC(N)=N)cc4;c1cc(ccc1NC2CC(C(CC2Oc3ccc(cc3)NC(=N)N)Oc4ccc(cc4)NC(=N)N)NC(=N)N)NC(=N)N","InChI=1S/C28H37N13O2/c29-25(30)38-16-3-1-15(2-4-16)37-21-13-22(41-28(35)36)24(43-20-11-7-18(8-12-20)40-27(33)34)14-23(21)42-19-9-5-17(6-10-19)39-26(31)32/h1-12,21-24,37H,13-14H2,(H4,29,30,38)(H4,31,32,39)(H4,33,34,40)(H4,35,36,41)/t21-,22+,23-,24+/m0/s1","","2016-11-28","2017-05-05","1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine","2017-05-10"],["JXS","7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C16 H15 N7 O","c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4;Cn1ccc(n1)c2cccc(COc3cc(N)nc4nn[nH]c34)c2;Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N","InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)","","2018-10-09","2019-02-01","7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2019-02-06"],["1N0","1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione","C14 H20 N2 O4","O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O;O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O;C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O","InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2","bis(maleimido)hexane, bound form","2013-04-02","2024-09-27","1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione","2013-06-19"],["JXT","8-bromanyl-9-pent-4-ynyl-purin-6-amine","C10 H10 Br N5","Nc1ncnc2n(CCCC#C)c(Br)nc12;C#CCCCn1c2c(c(ncn2)N)nc1Br","InChI=1S/C10H10BrN5/c1-2-3-4-5-16-9-7(15-10(16)11)8(12)13-6-14-9/h1,6H,3-5H2,(H2,12,13,14)","","2019-04-11","2020-02-14","8-bromanyl-9-pent-4-ynyl-purin-6-amine","2020-02-19"],["1N1","N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE","C22 H26 Cl N7 O2 S","Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)C;Cc1nc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl","InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)","Dasatinib","2006-04-24","2021-03-01","N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide",""],["JXV","(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol","C20 H19 N3 O3","c1(ccc2c(c1)OCCO2)c3cc(ncn3)NCC(O)c4ccccc4;O[CH](CNc1cc(ncn1)c2ccc3OCCOc3c2)c4ccccc4;c1ccc(cc1)C(CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O","InChI=1S/C20H19N3O3/c24-17(14-4-2-1-3-5-14)12-21-20-11-16(22-13-23-20)15-6-7-18-19(10-15)26-9-8-25-18/h1-7,10-11,13,17,24H,8-9,12H2,(H,21,22,23)/t17-/m0/s1","","2018-10-15","2018-10-26","(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol","2018-10-31"],["1N2","1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione","C10 H12 N2 O4","O=C1CCC(N1CCN2C(=O)CCC2=O)=O;O=C1CCC(=O)N1CCN2C(=O)CCC2=O;C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O","InChI=1S/C10H12N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-6H2","","2015-08-06","2024-09-27","1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione","2016-02-03"],["JXW","9-(2-chloroethyl)-8-methyl-purin-6-amine","C8 H10 Cl N5","Cc1nc2c(N)ncnc2n1CCCl;Cc1nc2c(ncnc2n1CCCl)N","InChI=1S/C8H10ClN5/c1-5-13-6-7(10)11-4-12-8(6)14(5)3-2-9/h4H,2-3H2,1H3,(H2,10,11,12)","","2019-04-11","2020-02-14","9-(2-chloroethyl)-8-methyl-purin-6-amine","2020-02-19"],["1N3","1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide","C21 H25 Br N6 O2","O=C(NCCCNc3c(Br)cnc2c3nc(c1ccc(OC)cc1)n2)C4(CN)CC4;COc1ccc(cc1)c2[nH]c3ncc(Br)c(NCCCNC(=O)C4(CN)CC4)c3n2;COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN","InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)","","2011-12-17","2013-08-09","1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide","2013-08-14"],["JXX","2-chloro-4-(morpholin-4-yl)quinazoline","C12 H12 Cl N3 O","Clc1nc(N2CCOCC2)c2ccccc2n1;Clc1nc2ccccc2c(n1)N3CCOCC3;c1ccc2c(c1)c(nc(n2)Cl)N3CCOCC3","InChI=1S/C12H12ClN3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-5-7-17-8-6-16/h1-4H,5-8H2","","2022-02-02","2022-10-07","2-chloro-4-(morpholin-4-yl)quinazoline","2022-10-12"],["JXY","(2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","C17 H16 O5","Cc1c(O)c(C)c2O[CH](CC(=O)c2c1O)c3ccc(O)cc3;Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O","InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1","Farrerol","2022-09-01","2023-04-14","(2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","2023-04-19"],["1N4","(2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid","C8 H13 N3 O3","O=C(O)C(c1c(cnn1O)CCC)N;CCCc1cnn(O)c1[CH](N)C(O)=O;CCCc1cnn(c1C(C(=O)O)N)O","InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)/t6-/m1/s1","","2013-04-03","2013-05-24","(2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid","2013-05-29"],["JXZ","2-(6-azanyl-8-methyl-purin-9-yl)ethanol","C8 H11 N5 O","Cc1nc2c(N)ncnc2n1CCO;Cc1nc2c(ncnc2n1CCO)N","InChI=1S/C8H11N5O/c1-5-12-6-7(9)10-4-11-8(6)13(5)2-3-14/h4,14H,2-3H2,1H3,(H2,9,10,11)","","2019-04-11","2020-02-14","2-(6-azanyl-8-methyl-purin-9-yl)ethanol","2020-02-19"],["1N5","(2R,4S)-2,4,7-trihydroxyheptanoic acid","C7 H14 O5","O=C(O)C(O)CC(O)CCCO;OCCC[CH](O)C[CH](O)C(O)=O;C(CC(CC(C(=O)O)O)O)CO","InChI=1S/C7H14O5/c8-3-1-2-5(9)4-6(10)7(11)12/h5-6,8-10H,1-4H2,(H,11,12)/t5-,6+/m0/s1","","2008-05-01","2011-06-04","(2R,4S)-2,4,7-trihydroxyheptanoic acid",""],["1N6","2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one","C20 H21 F3 N6 O","FC(F)(F)c1cc(ccc1)Nc3nc(nc2C=CNC(=O)c23)NC4CCC(N)CC4;N[CH]1CC[CH](CC1)Nc2nc(Nc3cccc(c3)C(F)(F)F)c4C(=O)NC=Cc4n2;c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F","InChI=1S/C20H21F3N6O/c21-20(22,23)11-2-1-3-14(10-11)26-17-16-15(8-9-25-18(16)30)28-19(29-17)27-13-6-4-12(24)5-7-13/h1-3,8-10,12-13H,4-7,24H2,(H,25,30)(H2,26,27,28,29)/t12-,13-","","2013-04-04","2013-08-23","2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one","2013-08-28"],["JY","3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL","C28 H38 O2","OC4CC(=C/C=C2CCCC3(C)C(C(C)Cc1cccc(O)c1)CCC23)/C(=C)CC4;C[CH](Cc1cccc(O)c1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)CCC4=C;CC(Cc1cccc(c1)O)C2CCC3C2(CCCC3=CC=C4CC(CCC4=C)O)C","InChI=1S/C28H38O2/c1-19-9-12-25(30)18-23(19)11-10-22-7-5-15-28(3)26(13-14-27(22)28)20(2)16-21-6-4-8-24(29)17-21/h4,6,8,10-11,17,20,25-27,29-30H,1,5,7,9,12-16,18H2,2-3H3/b22-10+,23-11-/t20-,25+,26-,27+,28-/m1/s1","22-(M-HYDROXYPHENYL)-23,24,25,26,27-PENTANOR VITAMIN D3","2001-06-06","2020-06-17","3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}phenol (non-preferred name)",""],["1N7","CHAPSO","C32 H59 N2 O8 S","O=S(=O)(O)CC(O)C[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C;C[CH](CCC(=O)NCCC[N+](C)(C)CC(O)C[S](O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1","2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium","2013-04-04","2021-03-13","2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium","2013-05-01"],["JY0","benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate","C23 H35 N3 O6","CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C","InChI=1S/C23H35N3O6/c1-15(32-23(2,3)4)19(26-22(30)31-14-16-8-6-5-7-9-16)21(29)25-18(13-27)12-17-10-11-24-20(17)28/h5-9,15,17-19,27H,10-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t15-,17-,18-,19-/m0/s1","","2023-08-10","2024-09-27","benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate","2024-08-14"],["1N8","N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE","C30 H31 F3 N6 O2","FC(F)(F)c1cc(c(NC(=O)CN(CC)CC)cc1)NC(=O)c4cc(c3cc2c(nc(nc2)NC)cc3)c(cc4)C;CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(C)c(c2)c3ccc4nc(NC)ncc4c3)C(F)(F)F;CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F","InChI=1S/C30H31F3N6O2/c1-5-39(6-2)17-27(40)36-25-12-10-22(30(31,32)33)15-26(25)37-28(41)20-8-7-18(3)23(14-20)19-9-11-24-21(13-19)16-35-29(34-4)38-24/h7-16H,5-6,17H2,1-4H3,(H,36,40)(H,37,41)(H,34,35,38)","AMINOQUINAZOLINE 36","2007-01-10","2021-03-01","N-{2-[(N,N-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide",""],["JY1","bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium","C36 H74 N6 O6 P4 Rh","C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O)=O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C(CCC2=O)=O)=O)P(C)(CC)CC;[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O)CCC2=O;CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O","InChI=1S/2C13H24N3O3P.2C5H13P.Rh/c2*1-3-20(4-2)10-14-9-11(17)15-7-8-16-12(18)5-6-13(16)19;2*1-4-6(3)5-2;/h2*14H,3-10H2,1-2H3,(H,15,17);2*4-5H2,1-3H3;/q;;;;-4/p+4","","2018-10-16","2024-09-27","bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium (non-preferred name)","2019-02-06"],["1N9","2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE","C37 H46 N6 O7","O=C(Oc1c(cccc1C)C)N(c2ccc(OC)cc2OC)c3nc(ncc3)Nc5cc(OC)c(OCCCN4CCN(CC4)C)c(OC)c5;COc1ccc(N(C(=O)Oc2c(C)cccc2C)c3ccnc(Nc4cc(OC)c(OCCCN5CCN(C)CC5)c(OC)c4)n3)c(OC)c1;Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C","InChI=1S/C37H46N6O7/c1-25-10-8-11-26(2)34(25)50-37(44)43(29-13-12-28(45-4)24-30(29)46-5)33-14-15-38-36(40-33)39-27-22-31(47-6)35(32(23-27)48-7)49-21-9-16-42-19-17-41(3)18-20-42/h8,10-15,22-24H,9,16-21H2,1-7H3,(H,38,39,40)","","2007-01-10","2011-06-04","2,6-dimethylphenyl [2-({3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrimidin-4-yl](2,4-dimethoxyphenyl)carbamate",""],["JY2","8-methyl-9-pent-4-ynyl-purin-6-amine","C11 H13 N5","Cc1nc2c(N)ncnc2n1CCCC#C;Cc1nc2c(ncnc2n1CCCC#C)N","InChI=1S/C11H13N5/c1-3-4-5-6-16-8(2)15-9-10(12)13-7-14-11(9)16/h1,7H,4-6H2,2H3,(H2,12,13,14)","","2019-04-11","2020-02-14","8-methyl-9-pent-4-ynyl-purin-6-amine","2020-02-19"],["1NA","N-ACETYL-O-METHYL-D-GLUCOSAMINE","C9 H17 N O6","O=C(NC1C(O)C(O)C(OC1OC)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1OC)CO)O)O","InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1/f/h10H","1NA","2000-10-20","2008-10-14","methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside",""],["JY3","7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole","C18 H18 N4 O S2","CC(C)Oc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1;CC(C)Oc1cc(CSc2[nH]c3c(ccc4ncsc34)n2)ncc1C;Cc1cnc(cc1OC(C)C)CSc2[nH]c3c(n2)ccc4c3scn4","InChI=1S/C18H18N4OS2/c1-10(2)23-15-6-12(19-7-11(15)3)8-24-18-21-13-4-5-14-17(16(13)22-18)25-9-20-14/h4-7,9-10H,8H2,1-3H3,(H,21,22)","","2022-02-02","2022-10-07","7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole","2022-10-12"],["1NB","2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL","C10 H16 O2","O=CC(C/C=C)C1CCCC1O;O[CH]1CCC[CH]1[CH](CC=C)C=O;C=CCC(C=O)C1CCCC1O","InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1","GR143783","1999-07-08","2024-09-27","(2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal",""],["JY4","7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline","C12 H12 N4 O2","c23c1c(cc(c(c1)OC)OC)nnc2nnc3C;COc1cc2nnc3n[nH]c(C)c3c2cc1OC;Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC","InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16)","","2018-10-17","2019-01-04","7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline","2019-01-09"],["JY5","3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol","C13 H15 N5 O2","Nc1ncnc2n([CH]3CCCCO3)c(nc12)C#CCO;c1nc(c2c(n1)n(c(n2)C#CCO)C3CCCCO3)N","InChI=1S/C13H15N5O2/c14-12-11-13(16-8-15-12)18(9(17-11)4-3-6-19)10-5-1-2-7-20-10/h8,10,19H,1-2,5-7H2,(H2,14,15,16)/t10-/m1/s1","","2019-04-11","2020-02-14","3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol","2020-02-19"],["1ND","1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE","C19 H20 F3 N3 O","FC(F)(F)c1nn(c2c1CCCC2)c4ccc(C(=O)N3CCCC3)cc4;FC(F)(F)c1nn(c2ccc(cc2)C(=O)N3CCCC3)c4CCCCc14;c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4","InChI=1S/C19H20F3N3O/c20-19(21,22)17-15-5-1-2-6-16(15)25(23-17)14-9-7-13(8-10-14)18(26)24-11-3-4-12-24/h7-10H,1-6,11-12H2","","2010-11-09","2011-06-04","pyrrolidin-1-yl{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methanone",""],["1NE","N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE","C17 H18 F3 N3 O","FC(F)(F)c1nn(c2c1CCCC2)c3ccc(C(=O)N(C)C)cc3;CN(C)C(=O)c1ccc(cc1)n2nc(c3CCCCc23)C(F)(F)F;CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3","InChI=1S/C17H18F3N3O/c1-22(2)16(24)11-7-9-12(10-8-11)23-14-6-4-3-5-13(14)15(21-23)17(18,19)20/h7-10H,3-6H2,1-2H3","","2010-11-09","2011-06-04","N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide",""],["JY6","(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one","C16 H10 N2 O2","O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O;c1ccc2c(c1)C(=C3C(=O)c4ccccc4N3)C(=O)N2","InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-","indirubin","2022-05-16","2022-11-18","(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one","2022-11-23"],["1NF","N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE","C19 H19 F4 N3 O","O=C1N(CCC1)Cc2ccc(cc2F)n3nc(c4c3CCCC4)C(F)(F)F;Fc1cc(ccc1CN2CCCC2=O)n3nc(c4CCCCc34)C(F)(F)F;c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O","InChI=1S/C19H19F4N3O/c20-15-10-13(8-7-12(15)11-25-9-3-6-17(25)27)26-16-5-2-1-4-14(16)18(24-26)19(21,22)23/h7-8,10H,1-6,9,11H2","","2010-11-09","2011-06-04","1-{2-fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzyl}pyrrolidin-2-one",""],["JY7","8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline","C17 H14 F N5 O","n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C;COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23;Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F","InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3","","2018-10-17","2019-01-04","8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline","2019-01-09"],["1NG","1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE","C20 H22 F3 N3 O","FC(F)(F)c1nn(c2c1CCCC2)c3ccc(cc3)CC(=O)N4CCCC4;FC(F)(F)c1nn(c2ccc(CC(=O)N3CCCC3)cc2)c4CCCCc14;c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4","InChI=1S/C20H22F3N3O/c21-20(22,23)19-16-5-1-2-6-17(16)26(24-19)15-9-7-14(8-10-15)13-18(27)25-11-3-4-12-25/h7-10H,1-6,11-13H2","","2010-11-10","2011-06-04","1-(pyrrolidin-1-yl)-2-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}ethanone",""],["JY8","9-ethyl-8-methyl-purin-6-amine","C8 H11 N5","CCn1c(C)nc2c(N)ncnc12;CCn1c(nc2c1ncnc2N)C","InChI=1S/C8H11N5/c1-3-13-5(2)12-6-7(9)10-4-11-8(6)13/h4H,3H2,1-2H3,(H2,9,10,11)","","2019-04-11","2020-02-14","9-ethyl-8-methyl-purin-6-amine","2020-02-19"],["JY9","4-[8-(aminomethyl)-2-[[5-(3-oxidanylpropyl)quinolin-8-yl]carbamoyl]quinolin-4-yl]butyl dihydrogen phosphite","C27 H31 N4 O5 P","NCc1cccc2c(CCCCOP(O)O)cc(nc12)C(=O)Nc3ccc(CCCO)c4cccnc34;c1cc(c2c(c1)c(cc(n2)C(=O)Nc3ccc(c4c3nccc4)CCCO)CCCCOP(O)O)CN","InChI=1S/C27H31N4O5P/c28-17-20-7-3-9-22-19(6-1-2-15-36-37(34)35)16-24(30-25(20)22)27(33)31-23-12-11-18(8-5-14-32)21-10-4-13-29-26(21)23/h3-4,7,9-13,16,32,34-35H,1-2,5-6,8,14-15,17,28H2,(H,31,33)","","2023-08-10","2025-02-14","4-[8-(aminomethyl)-2-[[5-(3-oxidanylpropyl)quinolin-8-yl]carbamoyl]quinolin-4-yl]butyl dihydrogen phosphite","2025-02-19"],["1NH","(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE","C24 H30 O9 P2","O=P(O)(O)OP(=O)(O)OC/C=C(C)CC/C=C(/COCc1cc(ccc1)C(=O)c2ccccc2)C;CC(CCC=C(C)COCc1cccc(c1)C(=O)c2ccccc2)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)COCc1cccc(c1)C(=O)c2ccccc2","InChI=1S/C24H30O9P2/c1-19(14-15-32-35(29,30)33-34(26,27)28)8-6-9-20(2)17-31-18-21-10-7-13-23(16-21)24(25)22-11-4-3-5-12-22/h3-5,7,9-14,16H,6,8,15,17-18H2,1-2H3,(H,29,30)(H2,26,27,28)/b19-14+,20-9+","","2003-04-25","2011-06-04","(2E,6E)-3,7-dimethyl-8-{[3-(phenylcarbonyl)benzyl]oxy}octa-2,6-dien-1-yl trihydrogen diphosphate",""],["1NI","4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE","C45 H58 N6 O7","O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4;CC[CH](NC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[CH](Cc3cccc4ccccc34)C(N)=O;CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cccc4c3cccc4)NC(=O)C)O","InChI=1/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1/f/h47-51H,46H2","LP-130","1999-07-08","2008-10-14","(4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name)",""],["JYA","(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile","C15 H15 N5 O","COc1ccc2nc(C#N)c3c(C)nc(CCC)n3c2n1;CCCc1nc(C)c2n1c3nc(OC)ccc3nc2C#N;CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C#N)C","InChI=1S/C15H15N5O/c1-4-5-12-17-9(2)14-11(8-16)18-10-6-7-13(21-3)19-15(10)20(12)14/h6-7H,4-5H2,1-3H3","","2022-02-02","2022-10-07","(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile","2022-10-12"],["1NJ","2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid","C28 H31 N5 O6","O=C(O)c3c(c1c(nc(OC)cc1)C(=O)Nc2ccc(C(=[N@H])N)cc2)ccc(C(=O)NC(C(C)(C)C)CO)c3;COc1ccc(c2ccc(cc2C(O)=O)C(=O)N[CH](CO)C(C)(C)C)c(n1)C(=O)Nc3ccc(cc3)C(N)=N;CC(C)(C)C(CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(=N)N)OC","InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1","","2013-04-05","2025-03-27","2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid","2013-08-21"],["JYB","9-ethyl-8-ethynyl-purin-6-amine","C9 H9 N5","CCn1c(nc2c(N)ncnc12)C#C;CCn1c(nc2c1ncnc2N)C#C","InChI=1S/C9H9N5/c1-3-6-13-7-8(10)11-5-12-9(7)14(6)4-2/h1,5H,4H2,2H3,(H2,10,11,12)","","2019-04-11","2020-02-14","9-ethyl-8-ethynyl-purin-6-amine","2020-02-19"],["JYD","(2S)-2-sulfanylbutanedioic acid","C4 H6 O4 S","C(C(=O)O)C(S)C(O)=O;OC(=O)C[CH](S)C(O)=O;C(C(C(=O)O)S)C(=O)O","InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1","thiomalate","2018-10-18","2020-06-17","(2S)-2-sulfanylbutanedioic acid","2019-01-30"],["1NK","2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid","C30 H31 N5 O6","O=C(O)c1cc(C(=O)NC(C(C)(C)C)CO)ccc1c2ccc(OC)nc2C(=O)Nc4cc3ccnc(c3cc4)N;COc1ccc(c2ccc(cc2C(O)=O)C(=O)N[CH](CO)C(C)(C)C)c(n1)C(=O)Nc3ccc4c(N)nccc4c3;CC(C)(C)C(CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC","InChI=1S/C30H31N5O6/c1-30(2,3)23(15-36)34-27(37)17-5-7-20(22(14-17)29(39)40)21-9-10-24(41-4)35-25(21)28(38)33-18-6-8-19-16(13-18)11-12-32-26(19)31/h5-14,23,36H,15H2,1-4H3,(H2,31,32)(H,33,38)(H,34,37)(H,39,40)/t23-/m1/s1","","2013-04-05","2013-08-16","2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid","2013-08-21"],["JYE","9-(3-azidopropyl)-8-bromanyl-purin-6-amine","C8 H9 Br N8","Nc1ncnc2n(CCCN=[N+]=[N-])c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N","InChI=1S/C8H9BrN8/c9-8-15-5-6(10)12-4-13-7(5)17(8)3-1-2-14-16-11/h4H,1-3H2,(H2,10,12,13)","","2019-04-11","2020-02-14","9-(3-azidopropyl)-8-bromanyl-purin-6-amine","2020-02-19"],["1NL","2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid","C28 H30 N4 O7","O=C(N)c1cc(ccc1)NC(=O)c3nc(OC)ccc3c2ccc(C(=O)NC(C(C)(C)C)CO)cc2C(=O)O;COc1ccc(c2ccc(cc2C(O)=O)C(=O)N[CH](CO)C(C)(C)C)c(n1)C(=O)Nc3cccc(c3)C(N)=O;CC(C)(C)C(CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC","InChI=1S/C28H30N4O7/c1-28(2,3)21(14-33)31-25(35)16-8-9-18(20(13-16)27(37)38)19-10-11-22(39-4)32-23(19)26(36)30-17-7-5-6-15(12-17)24(29)34/h5-13,21,33H,14H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)(H,37,38)/t21-/m1/s1","","2013-04-05","2013-08-16","2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid","2013-08-21"],["JYF","(~{Z})-1,2-bis(chloranyl)ethene","C2 H2 Cl2","ClC=CCl;C(=CCl)Cl","InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-","","2023-08-10","2023-10-13","(~{Z})-1,2-bis(chloranyl)ethene","2023-10-18"],["1NM","2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","C17 H18 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(cs2)CSc3nc(N)cc(n3)N;COc1ccc(cc1OCCF)c2scc(CSc3nc(N)cc(N)n3)n2;COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N","InChI=1S/C17H18FN5O2S2/c1-24-12-3-2-10(6-13(12)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)","","2013-04-05","2014-01-17","2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","2014-01-22"],["1NN","2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","C19 H22 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(c(s2)CC)CSc3nc(N)cc(n3)N;CCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCCF)c3;CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N","InChI=1S/C19H22FN5O2S2/c1-3-15-12(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-13(26-2)14(8-11)27-7-6-20/h4-5,8-9H,3,6-7,10H2,1-2H3,(H4,21,22,24,25)","","2013-04-05","2014-01-17","2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","2014-01-22"],["JYG","3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one","C23 H25 N5 O2","CC1NC(c2c1nc(c2)c3c5c(ccc3)C(N(C(NC4(CC4)C)=N5)C6(CC6)C)=O)=O;C[CH]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C(=Nc34)NC5(C)CC5)C6(C)CC6;CC1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1","InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1","","2018-10-19","2019-01-11","3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one","2019-01-16"],["1NO","2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","C18 H20 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)CSc3nc(N)cc(n3)N;COc1ccc(cc1OCCF)c2sc(C)c(CSc3nc(N)cc(N)n3)n2;Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N","InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)","","2013-04-05","2013-09-13","2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","2013-09-18"],["JYH","4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid","C24 H17 N O3","O=C(Nc1ccc(cc1)C(=O)O)c4cc3c(c2ccccc2)cccc3cc4;OC(=O)c1ccc(NC(=O)c2ccc3cccc(c4ccccc4)c3c2)cc1;c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O","InChI=1S/C24H17NO3/c26-23(25-20-13-11-18(12-14-20)24(27)28)19-10-9-17-7-4-8-21(22(17)15-19)16-5-2-1-3-6-16/h1-15H,(H,25,26)(H,27,28)","","2013-04-08","2014-03-14","4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid","2014-03-19"],["1NP","1-NAPHTHOL","C10 H8 O","Oc2cccc1ccccc12;Oc1cccc2ccccc12;c1ccc2c(c1)cccc2O","InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H","naphthalen-1-ol","2008-11-21","2021-03-01","naphthalen-1-ol",""],["JYI","3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid","C27 H23 Cl O2","O=C(O)c1ccc(c(Cl)c1)C=Cc4ccc2c(C(=CCC2(C)C)c3ccccc3)c4;CC1(C)CC=C(c2ccccc2)c3cc(C=Cc4ccc(cc4Cl)C(O)=O)ccc13;CC1(CC=C(c2c1ccc(c2)C=Cc3ccc(cc3Cl)C(=O)O)c4ccccc4)C","InChI=1S/C27H23ClO2/c1-27(2)15-14-22(19-6-4-3-5-7-19)23-16-18(9-13-24(23)27)8-10-20-11-12-21(26(29)30)17-25(20)28/h3-14,16-17H,15H2,1-2H3,(H,29,30)/b10-8+","","2013-04-08","2014-03-14","3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid","2014-03-19"],["1NQ","N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide","C22 H26 N6 O3 S2","O=C(c4sc(C(=O)NCCC3CCN(c2ncnc1c2sc(C(=O)N)c1)CC3)cc4)NCC;CCNC(=O)c1sc(cc1)C(=O)NCCC2CCN(CC2)c3ncnc4cc(sc34)C(N)=O;CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3","InChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)","","2013-04-05","2013-04-19","N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide","2013-04-24"],["JYJ","{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone","C19 H19 Cl N2 O2 S","C1C(C1)(C(N2CCN(CC2)C(=O)c3ccsc3)=O)c4cccc(c4)Cl;Clc1cccc(c1)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4cscc4;c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4","InChI=1S/C19H19ClN2O2S/c20-16-3-1-2-15(12-16)19(5-6-19)18(24)22-9-7-21(8-10-22)17(23)14-4-11-25-13-14/h1-4,11-13H,5-10H2","","2018-10-22","2019-01-11","{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone","2019-01-16"],["JYK","9-(2-azidoethyl)-8-bromanyl-purin-6-amine","C7 H7 Br N8","Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N","InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12)","","2019-04-11","2020-02-14","9-(2-azidoethyl)-8-bromanyl-purin-6-amine","2020-02-19"],["1NR","4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide","C19 H27 N5 O2 S","O=C(NCCC3CCN(c2ncnc1c2sc(c1)C(=O)N)CC3)C(C)(C)C;CC(C)(C)C(=O)NCCC1CCN(CC1)c2ncnc3cc(sc23)C(N)=O;CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2","InChI=1S/C19H27N5O2S/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)","","2013-04-05","2013-04-19","4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide","2013-04-24"],["1NS","4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide","C15 H21 N5 O3 S2","O=S(=O)(NCCC3CCN(c2ncnc1c2sc(c1)C(=O)N)CC3)C;C[S](=O)(=O)NCCC1CCN(CC1)c2ncnc3cc(sc23)C(N)=O;CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2","InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)","","2013-04-05","2013-04-19","4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide","2013-04-24"],["JYL","(4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","C22 H24 N6 O","Cn1cc(nc1CCNC(=O)c1cccn2c1nnc2C(C)C)c1ccccc1;CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3C)c4ccccc4;CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3C)c4ccccc4","InChI=1S/C22H24N6O/c1-15(2)20-25-26-21-17(10-7-13-28(20)21)22(29)23-12-11-19-24-18(14-27(19)3)16-8-5-4-6-9-16/h4-10,13-15H,11-12H2,1-3H3,(H,23,29)","","2022-02-02","2022-10-07","(4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","2022-10-12"],["1NT","(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID","C8 H18 O15 P2","O=P(O)(O)OCC(O)C(O)C(O)C(O)CC(O)(OP(=O)(O)O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[C](O)(O[P](O)(O)=O)C(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)C(C(=O)O)(O)OP(=O)(O)O","InChI=1S/C8H18O15P2/c9-3(1-8(15,7(13)14)23-25(19,20)21)5(11)6(12)4(10)2-22-24(16,17)18/h3-6,9-12,15H,1-2H2,(H,13,14)(H2,16,17,18)(H2,19,20,21)/t3-,4-,5-,6-,8-/m1/s1","","2006-11-20","2011-06-04","(2R,4R,5R,6R,7R)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid (non-preferred name)",""],["JYM","6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine","C13 H16 F3 N5 O","FC(F)(F)c3nc2c(nc(nc2OCC1CCCCC1)N)n3;Nc1nc2[nH]c(nc2c(OCC3CCCCC3)n1)C(F)(F)F;C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N","InChI=1S/C13H16F3N5O/c14-13(15,16)11-18-8-9(19-11)20-12(17)21-10(8)22-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,17,18,19,20,21)","","2013-11-19","2014-04-28","6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine","2013-12-18"],["JYN","9-(4-azidobutyl)purin-6-amine","C9 H12 N8","Nc1ncnc2n(CCCCN=[N+]=[N-])cnc12;c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N","InChI=1S/C9H12N8/c10-8-7-9(13-5-12-8)17(6-14-7)4-2-1-3-15-16-11/h5-6H,1-4H2,(H2,10,12,13)","","2019-04-11","2020-02-14","9-(4-azidobutyl)purin-6-amine","2020-02-19"],["1NU","1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1H)-one","C22 H12 F6 N2 O2","FC(F)(F)c4ccccc4Oc3ccc1c(C(=O)N=CN1Cc2c(F)cc(F)cc2F)c3;Fc1cc(F)c(CN2C=NC(=O)c3cc(Oc4ccccc4C(F)(F)F)ccc23)c(F)c1;c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F","InChI=1S/C22H12F6N2O2/c23-12-7-17(24)15(18(25)8-12)10-30-11-29-21(31)14-9-13(5-6-19(14)30)32-20-4-2-1-3-16(20)22(26,27)28/h1-9,11H,10H2","","2013-04-08","2013-07-05","1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1H)-one","2013-07-10"],["JYO","(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol","C22 H20 F3 N3 O2","NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4;c1ccc(cc1)c2c(cc3n2C(CN=C3O)CCN)c4cccc(c4)OC(F)(F)F","InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1","","2022-05-16","2022-09-30","(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol","2022-10-05"],["1NV","3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide","C23 H13 F6 N3 O3","FC(F)(F)c4c(C(=O)N)cccc4Oc3ccc1c(C(=O)N=CN1Cc2c(F)cc(F)cc2F)c3;NC(=O)c1cccc(Oc2ccc3N(Cc4c(F)cc(F)cc4F)C=NC(=O)c3c2)c1C(F)(F)F;c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N","InChI=1S/C23H13F6N3O3/c24-11-6-16(25)15(17(26)7-11)9-32-10-31-22(34)14-8-12(4-5-18(14)32)35-19-3-1-2-13(21(30)33)20(19)23(27,28)29/h1-8,10H,9H2,(H2,30,33)","","2013-04-08","2013-06-28","3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide","2013-07-03"],["JYP","Adenophostin A","C16 H26 N5 O18 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]4O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N","InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6+,8+,9+,10+,11-,12-,15-,16-/m1/s1","[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-oxolan-3-yl] dihydrogen phosphate","2018-10-23","2021-03-13","[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-oxolan-3-yl] dihydrogen phosphate","2018-12-05"],["1NW","3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide","C28 H16 F6 N4 O3","FC(F)(F)c5c(C(=O)Nc1cccnc1)cccc5Oc4ccc2c(C(=O)N=CN2Cc3c(F)cc(F)cc3F)c4;Fc1cc(F)c(CN2C=NC(=O)c3cc(Oc4cccc(C(=O)Nc5cccnc5)c4C(F)(F)F)ccc23)c(F)c1;c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5","InChI=1S/C28H16F6N4O3/c29-15-9-21(30)20(22(31)10-15)13-38-14-36-26(39)19-11-17(6-7-23(19)38)41-24-5-1-4-18(25(24)28(32,33)34)27(40)37-16-3-2-8-35-12-16/h1-12,14H,13H2,(H,37,40)","","2013-04-08","2013-06-28","3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide","2013-07-03"],["1NX","2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C23 H25 N5 O3","O=C(NC5c4cc(Oc1nc2c(nc1)ncc2C(=O)NC(C)C3CC3)ccc4CC5)C;C[CH](NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[CH](NC(C)=O)c4c3)nc12)C5CC5;CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)C(CC5)NC(=O)C","InChI=1S/C23H25N5O3/c1-12(14-3-4-14)26-23(30)18-10-24-22-21(18)28-20(11-25-22)31-16-7-5-15-6-8-19(17(15)9-16)27-13(2)29/h5,7,9-12,14,19H,3-4,6,8H2,1-2H3,(H,24,25)(H,26,30)(H,27,29)/t12-,19+/m0/s1","","2012-12-06","2014-09-05","2-{[(3R)-3-(acetylamino)-2,3-dihydro-1H-inden-5-yl]oxy}-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-12-11"],["JYQ","~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate","C11 H15 N5 O S","CC(=O)SCCCCn1cnc2c(N)ncnc12;CC(=O)SCCCCn1cnc2c1ncnc2N","InChI=1S/C11H15N5OS/c1-8(17)18-5-3-2-4-16-7-15-9-10(12)13-6-14-11(9)16/h6-7H,2-5H2,1H3,(H2,12,13,14)","","2019-04-11","2020-02-14","~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate","2020-02-19"],["JYR","methyl 3-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1-benzothiophene-2-carboxylate","C10 H7 N O5 S","COC(=O)c1sc2ccc(cc2c1O)[N+]([O-])=O;COC(=O)c1c(c2cc(ccc2s1)[N+](=O)[O-])O","InChI=1S/C10H7NO5S/c1-16-10(13)9-8(12)6-4-5(11(14)15)2-3-7(6)17-9/h2-4,12H,1H3","","2022-09-02","2022-12-16","methyl 5-nitro-3-oxidanyl-1-benzothiophene-2-carboxylate","2022-12-21"],["1NY","4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid","C26 H23 N O3","O=C(O)c1ccc(cc1)NC(=O)c4ccc2c(C(=CCC2(C)C)c3ccccc3)c4;CC1(C)CC=C(c2ccccc2)c3cc(ccc13)C(=O)Nc4ccc(cc4)C(O)=O;CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C","InChI=1S/C26H23NO3/c1-26(2)15-14-21(17-6-4-3-5-7-17)22-16-19(10-13-23(22)26)24(28)27-20-11-8-18(9-12-20)25(29)30/h3-14,16H,15H2,1-2H3,(H,27,28)(H,29,30)","","2013-04-08","2014-03-14","4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid","2014-03-19"],["1NZ","6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one","C28 H14 F6 N4 O3","Fc1cc(F)cc(F)c1CN6C=NC(=O)c5cc(Oc4cccc(c2nc3ncccc3o2)c4C(F)(F)F)ccc56;Fc1cc(F)c(CN2C=NC(=O)c3cc(Oc4cccc(c5oc6cccnc6n5)c4C(F)(F)F)ccc23)c(F)c1;c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6","InChI=1S/C28H14F6N4O3/c29-14-9-19(30)18(20(31)10-14)12-38-13-36-26(39)17-11-15(6-7-21(17)38)40-22-4-1-3-16(24(22)28(32,33)34)27-37-25-23(41-27)5-2-8-35-25/h1-11,13H,12H2","","2013-04-08","2013-06-28","6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one","2013-07-03"],["JYS","1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione","C21 H17 Br F N3 O3","c1cc(c2c(c1F)ncc2C(=O)C(N3CCN(CC3)C(=O)c4ccccc4)=O)Br;Fc1ccc(Br)c2c1[nH]cc2C(=O)C(=O)N3CCN(CC3)C(=O)c4ccccc4;c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br","InChI=1S/C21H17BrFN3O3/c22-15-6-7-16(23)18-17(15)14(12-24-18)19(27)21(29)26-10-8-25(9-11-26)20(28)13-4-2-1-3-5-13/h1-7,12,24H,8-11H2","","2018-10-23","2019-01-11","1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione","2019-01-16"],["1O0","6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one","C27 H15 F6 N3 O2","FC(F)(F)c5c(c1ncccc1)cccc5Oc4ccc2c(C(=O)N=CN2Cc3c(F)cc(F)cc3F)c4;Fc1cc(F)c(CN2C=NC(=O)c3cc(Oc4cccc(c5ccccn5)c4C(F)(F)F)ccc23)c(F)c1;c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F","InChI=1S/C27H15F6N3O2/c28-15-10-20(29)19(21(30)11-15)13-36-14-35-26(37)18-12-16(7-8-23(18)36)38-24-6-3-4-17(25(24)27(31,32)33)22-5-1-2-9-34-22/h1-12,14H,13H2","","2013-04-08","2013-06-28","6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one","2013-07-03"],["JYT","3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol","C8 H10 Br N5 O","Nc1ncnc2n(CCCO)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)CCCO)N","InChI=1S/C8H10BrN5O/c9-8-13-5-6(10)11-4-12-7(5)14(8)2-1-3-15/h4,15H,1-3H2,(H2,10,11,12)","","2019-04-11","2020-02-14","3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol","2020-02-19"],["JYU","N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide","C26 H26 N6 O2 S","CC(C)(C)n1nc(C)cc1NC(=O)c1cc2c(nn(c3ccccc3)c2s1)COc1ccccn1;Cc1cc(NC(=O)c2sc3n(nc(COc4ccccn4)c3c2)c5ccccc5)n(n1)C(C)(C)C;Cc1cc(n(n1)C(C)(C)C)NC(=O)c2cc3c(nn(c3s2)c4ccccc4)COc5ccccn5","InChI=1S/C26H26N6O2S/c1-17-14-22(32(29-17)26(2,3)4)28-24(33)21-15-19-20(16-34-23-12-8-9-13-27-23)30-31(25(19)35-21)18-10-6-5-7-11-18/h5-15H,16H2,1-4H3,(H,28,33)","","2022-02-02","2022-10-07","N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide","2022-10-12"],["1O1","5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid","C21 H17 N O7 S","O=S(=O)(Nc2ccc(Oc1ccc(C(=O)O)cc1)cc2C(=O)O)c3ccc(cc3)C;Cc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc(cc3)C(O)=O)cc2C(O)=O;Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O","InChI=1S/C21H17NO7S/c1-13-2-9-17(10-3-13)30(27,28)22-19-11-8-16(12-18(19)21(25)26)29-15-6-4-14(5-7-15)20(23)24/h2-12,22H,1H3,(H,23,24)(H,25,26)","","2013-04-08","2013-11-22","5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid","2013-11-27"],["JYV","(2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile","C33 H39 N7 O3 S","C1CC(CCN1C(C(c4c3c(c(c2csc(CN(CCCN(C)C)C)n2)ncc3OC)nc4)=O)=O)C(c5ccccc5)C#N;COc1cnc(c2csc(CN(C)CCCN(C)C)n2)c3[nH]cc(C(=O)C(=O)N4CCC(CC4)[CH](C#N)c5ccccc5)c13;CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)C(C#N)c5ccccc5)c(cn2)OC","InChI=1S/C33H39N7O3S/c1-38(2)13-8-14-39(3)20-28-37-26(21-44-28)30-31-29(27(43-4)19-36-30)25(18-35-31)32(41)33(42)40-15-11-23(12-16-40)24(17-34)22-9-6-5-7-10-22/h5-7,9-10,18-19,21,23-24,35H,8,11-16,20H2,1-4H3/t24-/m0/s1","","2018-10-23","2019-01-11","(2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile","2019-01-16"],["1O2","(2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate","C43 H80 O10","O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCC=C/CCCCCCCC;CCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43+/m1/s1","1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol","2009-08-10","2020-06-17","(2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate",""],["1O3","2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid","C19 H13 Br F N O5 S","O=S(=O)(c1c(F)cc(Br)cc1)Nc3ccc(Oc2ccccc2)cc3C(=O)O;OC(=O)c1cc(Oc2ccccc2)ccc1N[S](=O)(=O)c3ccc(Br)cc3F;c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br","InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24)","","2013-04-08","2013-11-22","2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid","2013-11-27"],["JYW","4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol","C9 H12 Br N5 O","Nc1ncnc2n(CCCCO)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)CCCCO)N","InChI=1S/C9H12BrN5O/c10-9-14-6-7(11)12-5-13-8(6)15(9)3-1-2-4-16/h5,16H,1-4H2,(H2,11,12,13)","","2019-04-11","2020-02-14","4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol","2020-02-19"],["1O4","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C24 H30 N7 O13 P2","Nc1cccc2cc[n+](cc12)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;Nc1cccc2cc[n+](cc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1cc2cc[n+](cc2c(c1)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C24H29N7O13P2/c25-13-3-1-2-11-4-5-30(6-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-25,32-35H,7-8H2,(H4,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1","","2021-06-23","2022-03-18","8-amino-2-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]isoquinolin-2-ium (non-preferred name)","2022-03-23"],["JYX","3-ethylimidazo[4,5-b]pyridin-2-amine","C8 H10 N4","CCn1c(N)nc2cccnc12;CCn1c2c(cccn2)nc1N","InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11)","","2022-05-16","2022-10-14","3-ethylimidazo[4,5-b]pyridin-2-amine","2022-10-19"],["1O5","5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide","C20 H21 N5 O3 S","O=S(=O)(N)c4c(ccc(c2nnc1cc(c(OCC)cc12)c3cn(nc3)C)c4)C;CCOc1cc2c([nH]nc2c3ccc(C)c(c3)[S](N)(=O)=O)cc1c4cnn(C)c4;CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C","InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)","","2012-11-21","2013-06-21","5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide","2013-06-26"],["JYY","4-{3-[{4-[(R)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-N-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide","C29 H28 N6 O5 S","C4(CCN(C(C(c3c2c(c(c1csc(C(NCCO)=O)n1)ncc2OC)nc3)=O)=O)CC4)C(c5ccccc5)C#N;COc1cnc(c2[nH]cc(C(=O)C(=O)N3CCC(CC3)[CH](C#N)c4ccccc4)c12)c5csc(n5)C(=O)NCCO;COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO","InChI=1S/C29H28N6O5S/c1-40-22-15-33-24(21-16-41-28(34-21)27(38)31-9-12-36)25-23(22)20(14-32-25)26(37)29(39)35-10-7-18(8-11-35)19(13-30)17-5-3-2-4-6-17/h2-6,14-16,18-19,32,36H,7-12H2,1H3,(H,31,38)/t19-/m0/s1","","2018-10-23","2019-01-11","4-{3-[{4-[(R)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-N-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide","2019-01-16"],["1O6","2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid","C24 H29 N O4","O=C(N(c2ccc(Oc1ccccc1)cc2C(=O)O)C(C)C)C3CCC(C)CC3;CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c2ccc(Oc3ccccc3)cc2C(O)=O;CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C","InChI=1S/C24H29NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-8,13-18H,9-12H2,1-3H3,(H,27,28)/t17-,18-","","2013-04-08","2013-11-22","2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid","2013-11-27"],["JYZ","(~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide","C17 H14 N2 O4","COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O;COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O","InChI=1S/C17H14N2O4/c1-23-16-9-11(6-7-15(16)21)8-12(10-18)17(22)19-13-4-2-3-5-14(13)20/h2-9,20-21H,1H3,(H,19,22)/b12-8+","","2019-04-11","2020-04-03","(~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide","2020-04-08"],["1O7","8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","C13 H11 N O2 S","CCOc1ccc2C(=O)Nc3sccc3c2c1;CCOc1ccc2c(c1)-c3ccsc3NC2=O","InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)","","2021-06-14","2021-12-03","8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","2021-12-08"],["JZ0","o-cresol","C7 H8 O","Cc1ccccc1O;Cc1ccccc1O","InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3","ortho-cresol,2-methylphenol","2009-06-15","2020-06-17","2-methylphenol",""],["1O8","(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid","C20 H22 O2","O=C(O)C=C(C=CC=C(/C=C2/c1ccccc1CCC2)C)C;CC(C=CC=C(C)C=C1CCCc2ccccc12)=CC(O)=O;CC(=CC(=O)O)C=CC=C(C)C=C1CCCc2c1cccc2","InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+","","2013-04-19","2013-11-08","(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid","2013-11-13"],["JZ1","2-ethylphenol","C8 H10 O","CCc1ccccc1O;CCc1ccccc1O","InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3","","2009-06-15","2011-06-04","2-ethylphenol",""],["JZ2","5-chloro-2-methylphenol","C7 H7 Cl O","Clc1cc(O)c(cc1)C;Cc1ccc(Cl)cc1O;Cc1ccc(cc1O)Cl","InChI=1S/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3","","2009-06-16","2011-06-04","5-chloro-2-methylphenol",""],["1O9","(4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-L-proline","C27 H32 N4 O3 S","O=C(O)C4(N(C(=O)c1ccc(cc1)C(C)(C)C)C(c2nccs2)C(c3nccnc3)C4)CC(C)C;CC(C)C[C]1(C[CH]([CH](N1C(=O)c2ccc(cc2)C(C)(C)C)c3sccn3)c4cnccn4)C(O)=O;CC(C)CC1(CC(C(N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O","InChI=1S/C27H32N4O3S/c1-17(2)14-27(25(33)34)15-20(21-16-28-10-11-29-21)22(23-30-12-13-35-23)31(27)24(32)18-6-8-19(9-7-18)26(3,4)5/h6-13,16-17,20,22H,14-15H2,1-5H3,(H,33,34)/t20-,22-,27+/m1/s1","","2013-04-08","2014-04-18","(4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-L-proline","2014-04-23"],["JZ3","Guaiacol","C7 H8 O2","Oc1ccccc1OC;COc1ccccc1O;COc1ccccc1O","InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3","2-methoxyphenol","2009-06-16","2020-06-17","2-methoxyphenol",""],["1OA","N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C18 H18 F N5 O2","Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)C4CCNCC4;Oc1cc(nc2n1ncc2C(=O)Nc3ccc(F)cc3)C4CCNCC4;c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F","InChI=1S/C18H18FN5O2/c19-12-1-3-13(4-2-12)22-18(26)14-10-21-24-16(25)9-15(23-17(14)24)11-5-7-20-8-6-11/h1-4,9-11,20,25H,5-8H2,(H,22,26)","","2013-04-09","2013-05-10","N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2013-05-15"],["JZ4","2-propylphenol","C9 H12 O","CCCc1ccccc1O;CCCc1ccccc1O","InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3","","2009-06-16","2011-06-04","2-propylphenol",""],["1OB","5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide","C21 H14 F N5 O2","Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)Cc4ccc(C#N)cc4;Oc1cc(Cc2ccc(cc2)C#N)nc3n1ncc3C(=O)Nc4ccc(F)cc4;c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N","InChI=1S/C21H14FN5O2/c22-15-5-7-16(8-6-15)26-21(29)18-12-24-27-19(28)10-17(25-20(18)27)9-13-1-3-14(11-23)4-2-13/h1-8,10,12,28H,9H2,(H,26,29)","","2013-04-09","2013-05-10","5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide","2013-05-15"],["1OC","N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C26 H24 F2 N8 O","Fc1ccccc1c2cc3c(nc2)ncc3NC(=O)c4c5nc(ccn5nc4)NCC6CCNCC6F;F[CH]1CNCC[CH]1CNc2ccn3ncc(C(=O)Nc4c[nH]c5ncc(cc45)c6ccccc6F)c3n2;c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NCC6CCNCC6F)F","InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1","","2013-04-09","2013-05-10","N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2013-05-15"],["JZ5","(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine","C5 H5 N O S","ON=Cc1sccc1;c1cc(sc1)C=NO","InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4-","(Z)-thiophene-2-carboxaldoxime","2009-06-16","2021-03-01","(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine",""],["JZ6","4-chloro-1H-pyrazole","C3 H3 Cl N2","Clc1c[nH]nc1;c1c(cn[nH]1)Cl","InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)","","2009-06-16","2011-06-04","4-chloro-1H-pyrazole",""],["1OD","(4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide","C31 H34 N4 O10","O=C(N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c2cccc(O)c2O)C3N=C(OC3C)c4cccc(O)c4O;C[CH]1OC(=N[CH]1C(=O)N(CCCNC(=O)c2cccc(O)c2O)CCCNC(=O)c3cccc(O)c3O)c4cccc(O)c4O;CC1C(N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O","InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1","fluvibactin","2013-06-17","2021-03-01","(4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide","2013-07-31"],["JZ7","(2S)-2-ethoxy-3,4-dihydro-2H-pyran","C7 H12 O2","CCO[CH]1CCC=CO1;CCOC1CCC=CO1","InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1","","2009-06-16","2011-06-04","(2S)-2-ethoxy-3,4-dihydro-2H-pyran",""],["1OE","2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid","C20 H14 Cl N3 O3 S","OC(=O)Cn1c2ccccc2cc1C(=O)Nc3scc(n3)c4ccccc4Cl;c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl","InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)","","2021-07-06","2021-10-08","2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid","2021-10-13"],["1OF","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate","C23 H28 N7 O14 P2","O=C1NC=Cc2cc[n+](cc21)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5ccc6C=CNC(=O)c6c5)[CH](O)[CH]3O;c1c[n+](cc2c1C=CNC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C23H27N7O14P2/c24-19-14-20(27-8-26-19)30(9-28-14)23-18(34)16(32)13(43-23)7-41-46(38,39)44-45(36,37)40-6-12-15(31)17(33)22(42-12)29-4-2-10-1-3-25-21(35)11(10)5-29/h1-5,8-9,12-13,15-18,22-23,31-34H,6-7H2,(H4,24,26,27,36,37,38,39)/p+1/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1","","2021-06-23","2022-03-18","2-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-8-oxo-7,8-dihydro-2,7-naphthyridin-2-ium (non-preferred name)","2022-03-23"],["JZ8","5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium","C16 H15 N5","n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C;Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1;Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3","InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2","","2009-07-17","2011-06-04","5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium",""],["1OG"," 7-alkylidenecephalosporin DCM-1-10, bound form ","C16 H21 N O9 S","O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O;CC(=O)OCC1=C(N=C[CH](C=O)[CH](C(=O)OC(C)(C)C)[S](=O)(=O)C1)C(O)=O;CC(=O)OCC1=C(N=CC(C(S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)C(=O)O","InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1","(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide","2013-04-11","2024-09-27","(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide","2013-12-04"],["JZ9","4,5,6,7-tetrahydro-1H-indole","C8 H11 N","C1CCc2cc[nH]c2C1;c1c[nH]c2c1CCCC2","InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2","","2009-06-16","2011-06-04","4,5,6,7-tetrahydro-1H-indole",""],["1OH","4-(1-methyl-1-phenylethyl)phenol","C15 H16 O","Oc1ccc(cc1)C(c2ccccc2)(C)C;CC(C)(c1ccccc1)c2ccc(O)cc2;CC(C)(c1ccccc1)c2ccc(cc2)O","InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3","2-(4'-Hydroxyphenyl)-2-phenylpropane; 4-alpha-Cumylphenol","2007-10-11","2021-03-13","4-(1-methyl-1-phenylethyl)phenol",""],["JZA","4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine","C7 H12 N2 O4 S","O=C(N1CCOCC1)N2CCS2(=O)=O;O=C(N1CCOCC1)N2CC[S]2(=O)=O;C1COCCN1C(=O)N2CCS2(=O)=O","InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2","beta-sultam","2009-08-10","2020-06-17","(1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone",""],["1OI","8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","C12 H9 N O2 S","COc1ccc2C(=O)Nc3sccc3c2c1;COc1ccc2c(c1)-c3ccsc3NC2=O","InChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14)","","2021-06-14","2021-12-03","8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","2021-12-08"],["JZB","(5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime]","C24 H29 Cl N2 O6","O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl;Oc1cc(O)c2C(=O)OCCC=CCCC=CC(Cc2c1Cl)=NOCC(=O)N3CCCCC3;c1c(c2c(c(c1O)Cl)CC(=NOCC(=O)N3CCCCC3)C=CCCC=CCCOC2=O)O","InChI=1S/C24H29ClN2O6/c25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29/h2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2/b4-2+,10-6+,26-17-","","2009-08-14","2011-06-04","(5E,9E,11E)-13-chloro-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one",""],["JZC","(5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime]","C24 H30 N2 O6","O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3cc(O)cc(O)c23;Oc1cc(O)c2C(=O)OCCC=CCCC=CC(Cc2c1)=NOCC(=O)N3CCCCC3;c1c(cc(c2c1CC(=NOCC(=O)N3CCCCC3)C=CCCC=CCCOC2=O)O)O","InChI=1S/C24H30N2O6/c27-20-15-18-14-19(25-32-17-22(29)26-11-7-5-8-12-26)10-6-3-1-2-4-9-13-31-24(30)23(18)21(28)16-20/h2,4,6,10,15-16,27-28H,1,3,5,7-9,11-14,17H2/b4-2+,10-6+,25-19-","","2009-08-14","2011-06-04","(5E,9E,11E)-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one",""],["1OJ","(2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide","C28 H30 N4 O7 S2","O=S(=O)(N)c1cccc(c1)S(=O)(=O)NC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc3ccc4c(c3)ccnc4;CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3cnccc3c2)C(=O)N[S](=O)(=O)c4cccc(c4)[S](N)(=O)=O;CCOc1cc(ccc1OC(C)C)C(C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3","InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1","","2013-04-11","2013-07-19","(2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide","2013-07-24"],["1OK","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide","C28 H30 N4 O5 S","O=S(=O)(c1ccccc1)NC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N;CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N[S](=O)(=O)c4ccccc4;CCOc1cc(ccc1OC(C)C)C(C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N","InChI=1S/C28H30N4O5S/c1-4-36-25-17-20(10-13-24(25)37-18(2)3)26(28(33)32-38(34,35)22-8-6-5-7-9-22)31-21-11-12-23-19(16-21)14-15-30-27(23)29/h5-18,26,31H,4H2,1-3H3,(H2,29,30)(H,32,33)/t26-/m1/s1","","2013-04-11","2013-07-19","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide","2013-07-24"],["JZD","2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid","C37 H38 Cl4 N2 O6","Clc3cc(cc(Cl)c3OCCCCCCCCCCCOc2c(Cl)cc(Nc1ccccc1C(=O)O)cc2Cl)Nc4ccccc4C(=O)O;OC(=O)c1ccccc1Nc2cc(Cl)c(OCCCCCCCCCCCOc3c(Cl)cc(Nc4ccccc4C(O)=O)cc3Cl)c(Cl)c2;c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl","InChI=1S/C37H38Cl4N2O6/c38-28-20-24(42-32-16-10-8-14-26(32)36(44)45)21-29(39)34(28)48-18-12-6-4-2-1-3-5-7-13-19-49-35-30(40)22-25(23-31(35)41)43-33-17-11-9-15-27(33)37(46)47/h8-11,14-17,20-23,42-43H,1-7,12-13,18-19H2,(H,44,45)(H,46,47)","","2009-08-19","2011-06-04","2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid",""],["JZE","2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid","C33 H30 Cl4 N2 O6","Clc3cc(cc(Cl)c3OCCCCCCCOc2c(Cl)cc(Nc1ccccc1C(=O)O)cc2Cl)Nc4ccccc4C(=O)O;OC(=O)c1ccccc1Nc2cc(Cl)c(OCCCCCCCOc3c(Cl)cc(Nc4ccccc4C(O)=O)cc3Cl)c(Cl)c2;c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl","InChI=1S/C33H30Cl4N2O6/c34-24-16-20(38-28-12-6-4-10-22(28)32(40)41)17-25(35)30(24)44-14-8-2-1-3-9-15-45-31-26(36)18-21(19-27(31)37)39-29-13-7-5-11-23(29)33(42)43/h4-7,10-13,16-19,38-39H,1-3,8-9,14-15H2,(H,40,41)(H,42,43)","","2009-08-19","2011-06-04","2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid",""],["1OL","(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid","C10 H21 N O3","O=C(O)C(C)CC(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C[CH](C)C(O)=O;CC(C)CC(C(CC(C)C(=O)O)O)N","InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1","Leu*Ala","1999-07-08","2024-09-27","(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid",""],["JZF","ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate","C19 H29 N O6","O=C1C(C)CC(C)CC1C(O)CC2CC(=O)N(C(=O)C2)CC(=O)OCC;CCOC(=O)CN1C(=O)CC(C[CH](O)[CH]2C[CH](C)C[CH](C)C2=O)CC1=O;CCOC(=O)CN1C(=O)CC(CC1=O)CC(C2CC(CC(C2=O)C)C)O","InChI=1S/C19H29NO6/c1-4-26-18(24)10-20-16(22)8-13(9-17(20)23)7-15(21)14-6-11(2)5-12(3)19(14)25/h11-15,21H,4-10H2,1-3H3/t11-,12-,14-,15+/m0/s1","","2009-09-17","2011-06-04","ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate",""],["1OM","4-{bis[4-(dimethylamino)phenyl]methyl}phenol","C23 H26 N2 O","Oc1ccc(cc1)C(c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3;CN(C)c1ccc(cc1)C(c2ccc(O)cc2)c3ccc(cc3)N(C)C;CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O","InChI=1S/C23H26N2O/c1-24(2)20-11-5-17(6-12-20)23(19-9-15-22(26)16-10-19)18-7-13-21(14-8-18)25(3)4/h5-16,23,26H,1-4H3","","2013-04-11","2013-10-04","4-{bis[4-(dimethylamino)phenyl]methyl}phenol","2013-10-09"],["1ON","2,3-dihydro-1H-inden-1-one","C9 H8 O","O=C2c1ccccc1CC2;O=C1CCc2ccccc12;c1ccc2c(c1)CCC2=O","InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2","1-indanone","2012-10-22","2020-06-17","2,3-dihydro-1H-inden-1-one","2013-10-30"],["JZG","3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid","C33 H27 N5 O4","O=C(Nc2ccc(c1ccccc1)cc2)CCn3nnc(c3)c6c4cc(C(=O)O)c(O)cc4n(c6c5ccccc5)C;Cn1c2cc(O)c(cc2c(c3cn(CCC(=O)Nc4ccc(cc4)c5ccccc5)nn3)c1c6ccccc6)C(O)=O;Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O","InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)","","2009-09-21","2011-06-04","3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid",""],["JZH","(3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one","C21 H15 N3 O2","O=C5Nc1ccccc1c2c3c(ncc2)ncc3C5c4ccc(O)cc4;Oc1ccc(cc1)[CH]2C(=O)Nc3ccccc3c4ccnc5[nH]cc2c45;c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(C(=O)N2)c5ccc(cc5)O","InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)/t18-/m0/s1","","2009-09-28","2011-06-04","(3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one",""],["1OO","N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide","C21 H11 Cl F5 N3 O3 S","FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccc(F)c(c2F)C(=O)c4c3cc(Cl)cnc3nc4;Fc1ccc(N[S](=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c3c[nH]c4ncc(Cl)cc34;c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F","InChI=1S/C21H11ClF5N3O3S/c22-11-7-13-14(9-29-20(13)28-8-11)19(31)17-15(23)5-6-16(18(17)24)30-34(32,33)12-3-1-10(2-4-12)21(25,26)27/h1-9,30H,(H,28,29)","","2013-04-11","2015-10-23","N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide","2015-10-28"],["1OP","O-(5-hydroxypentyl)-L-tyrosine","C14 H21 N O4","O=C(O)C(N)Cc1ccc(OCCCCCO)cc1;N[CH](Cc1ccc(OCCCCCO)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OCCCCCO","InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1","","2013-04-11","2024-09-27","O-(5-hydroxypentyl)-L-tyrosine","2013-06-12"],["JZI","(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid","C22 H19 N O3","O=C(O)C(NC(=O)c2ccc1c(cccc1)c2)CC=Cc3ccccc3;OC(=O)[CH](CC=Cc1ccccc1)NC(=O)c2ccc3ccccc3c2;c1ccc(cc1)C=CCC(C(=O)O)NC(=O)c2ccc3ccccc3c2","InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1","","2009-09-28","2011-06-04","(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid",""],["1OQ","(2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile","C14 H8 F4 N2","FC(F)(F)c1nc(ccc1)C(C#N)c2ccc(F)cc2;Fc1ccc(cc1)[CH](C#N)c2cccc(n2)C(F)(F)F;c1cc(nc(c1)C(F)(F)F)C(C#N)c2ccc(cc2)F","InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H/t11-/m0/s1","","2013-04-11","2014-06-13","(2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile","2014-06-18"],["JZJ","(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline","C18 H16 Br N3","Brc1ccc(cc1)c2nc(nc2)C4NCc3ccccc3C4;Brc1ccc(cc1)c2c[nH]c(n2)[CH]3Cc4ccccc4CN3;c1ccc2c(c1)CC(NC2)c3[nH]cc(n3)c4ccc(cc4)Br","InChI=1S/C18H16BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,11,16,20H,9-10H2,(H,21,22)/t16-/m0/s1","","2009-10-05","2011-06-04","(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline",""],["JZK","2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide","C22 H25 Cl N4 O","Clc1ccccc1CNc3nc2cc(ccc2n3CC4CCCCC4)C(=O)N;NC(=O)c1ccc2n(CC3CCCCC3)c(NCc4ccccc4Cl)nc2c1;c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl","InChI=1S/C22H25ClN4O/c23-18-9-5-4-8-17(18)13-25-22-26-19-12-16(21(24)28)10-11-20(19)27(22)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H2,24,28)(H,25,26)","","2009-09-29","2011-06-04","2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide",""],["1OR","(2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide","C16 H24 N5 O6 P","O=P3(OCC4OC(n1c2ncnc(N(CCC)CCC)c2nc1)C(O)C4O3)O;CCCN(CCC)c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O;CCCN(CCC)c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O","InChI=1S/C16H24N5O6P/c1-3-5-20(6-4-2)14-11-15(18-8-17-14)21(9-19-11)16-12(22)13-10(26-16)7-25-28(23,24)27-13/h8-10,12-13,16,22H,3-7H2,1-2H3,(H,23,24)/t10-,12-,13-,16-/m1/s1","","2013-04-12","2013-09-13","(2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide","2013-09-18"],["JZL","7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide","C23 H28 Cl N5 O2","Clc1ccccc1CNc3nc2cc(cc(c2n3CC4CCCCCC4O)N)C(=O)N;NC(=O)c1cc(N)c2n(C[CH]3CCCCC[CH]3O)c(NCc4ccccc4Cl)nc2c1;c1ccc(c(c1)CNc2nc3cc(cc(c3n2CC4CCCCCC4O)N)C(=O)N)Cl","InChI=1S/C23H28ClN5O2/c24-17-8-5-4-6-14(17)12-27-23-28-19-11-16(22(26)31)10-18(25)21(19)29(23)13-15-7-2-1-3-9-20(15)30/h4-6,8,10-11,15,20,30H,1-3,7,9,12-13,25H2,(H2,26,31)(H,27,28)/t15-,20-/m0/s1","","2009-09-29","2011-06-04","7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide",""],["1OS","[(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid","C8 H12 N3 O3 P","O=P(O)(O)C(N)c1ccc(cc1)C(=[N@H])N;N[CH](c1ccc(cc1)C(N)=N)[P](O)(O)=O;c1cc(ccc1C(N)P(=O)(O)O)C(=N)N","InChI=1S/C8H12N3O3P/c9-7(10)5-1-3-6(4-2-5)8(11)15(12,13)14/h1-4,8H,11H2,(H3,9,10)(H2,12,13,14)/t8-/m1/s1","","2013-04-15","2013-06-07","[(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid","2013-06-12"],["JZM","5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine","C14 H11 Cl N4 S","Clc3ccc(Sc2c1c(nc(nc1N)N)ccc2)cc3;Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1;c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N","InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19)","","2009-10-29","2011-06-04","5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine",""],["1OT","{(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid","C10 H12 N3 O3 P","O=P(O)(O)C(c1ccc(cc1)n2nccc2)N;N[CH](c1ccc(cc1)n2cccn2)[P](O)(O)=O;c1cnn(c1)c2ccc(cc2)C(N)P(=O)(O)O","InChI=1S/C10H12N3O3P/c11-10(17(14,15)16)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7,10H,11H2,(H2,14,15,16)/t10-/m1/s1","","2013-04-15","2013-06-07","{(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid","2013-06-12"],["1OU","[(R)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid","C8 H13 N4 O3 P","O=P(O)(O)C(c1ccc(NC(=[N@H])N)cc1)N;N[CH](c1ccc(NC(N)=N)cc1)[P](O)(O)=O;c1cc(ccc1C(N)P(=O)(O)O)NC(=N)N","InChI=1S/C8H13N4O3P/c9-7(16(13,14)15)5-1-3-6(4-2-5)12-8(10)11/h1-4,7H,9H2,(H4,10,11,12)(H2,13,14,15)/t7-/m1/s1","","2013-04-15","2013-06-07","[(R)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid","2013-06-12"],["JZN","1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide","C34 H37 F4 N5 O4","Fc1cc(c(OC)cc1)C(C)(C)CC(O)(C(F)(F)F)CNc2cc(cc3c2cnn3c5cc(C(=O)N4C(C(=O)N)CCC4)ccc5)C;COc1ccc(F)cc1C(C)(C)C[C](O)(CNc2cc(C)cc3n(ncc23)c4cccc(c4)C(=O)N5CCC[CH]5C(N)=O)C(F)(F)F;Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCCC4C(=O)N)NCC(CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O","InChI=1S/C34H37F4N5O4/c1-20-13-26(40-19-33(46,34(36,37)38)18-32(2,3)25-16-22(35)10-11-29(25)47-4)24-17-41-43(28(24)14-20)23-8-5-7-21(15-23)31(45)42-12-6-9-27(42)30(39)44/h5,7-8,10-11,13-17,27,40,46H,6,9,12,18-19H2,1-4H3,(H2,39,44)/t27-,33-/m1/s1","","2009-10-19","2011-06-04","1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide",""],["JZO","4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one","C21 H20 N4 O2","O=C3C(=C(c1ccc2nccnc2c1)N(N3C)C)c4cccc(c4)COC;COCc1cccc(c1)C2=C(N(C)N(C)C2=O)c3ccc4nccnc4c3;CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4","InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3","","2009-10-22","2011-06-04","4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-(quinoxalin-6-yl)-1,2-dihydro-3H-pyrazol-3-one",""],["1OV","[(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid","C5 H15 N4 O3 P","O=P(O)(O)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)[P](O)(O)=O;C(CC(N)P(=O)(O)O)CNC(=N)N","InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1","","2013-04-15","2013-06-07","[(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid","2013-06-12"],["JZP","(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C33 H35 Cl2 N3 O6 S","O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(Cl)cccc3Cl)Cc4ccccc4)CSC5(C)C;CC1(C)SCN([CH]1C(=O)N[CH]2[CH](O)Cc3ccccc23)C(=O)[CH](O)[CH](Cc4ccccc4)NC(=O)COc5c(Cl)cccc5Cl;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)NC4c5ccccc5CC4O)C","InChI=1S/C33H35Cl2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1","KNI-10074","2009-10-23","2021-03-01","(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["1OX","2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one","C16 H12 N4 O","O=C2C=C(N=C1C=CC=CN12)Cn3c4ccccc4nc3;O=C1C=C(Cn2cnc3ccccc23)N=C4C=CC=CN14;c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3","InChI=1S/C16H12N4O/c21-16-9-12(18-15-7-3-4-8-20(15)16)10-19-11-17-13-5-1-2-6-14(13)19/h1-9,11H,10H2","","2013-04-16","2013-05-17","2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one","2013-05-22"],["1OY","(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide","C27 H31 Cl2 F2 N3 O3","Clc1cccc(c1F)C3C(C(=O)NCCC(O)CO)NC(CC(C)(C)C)C3(C#N)c2ccc(Cl)cc2F;CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]1(C#N)c3ccc(Cl)cc3F)C(=O)NCC[CH](O)CO;CC(C)(C)CC1C(C(C(N1)C(=O)NCCC(CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl","InChI=1S/C27H31Cl2F2N3O3/c1-26(2,3)12-21-27(14-32,18-8-7-15(28)11-20(18)30)22(17-5-4-6-19(29)23(17)31)24(34-21)25(37)33-10-9-16(36)13-35/h4-8,11,16,21-22,24,34-36H,9-10,12-13H2,1-3H3,(H,33,37)/t16-,21-,22-,24+,27-/m0/s1","","2013-04-16","2013-07-19","(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide","2013-07-24"],["JZQ","(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-\ninden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C33 H35 F2 N3 O6 S","O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccccc4)CSC5(C)C;CC1(C)SCN([CH]1C(=O)N[CH]2[CH](O)Cc3ccccc23)C(=O)[CH](O)[CH](Cc4ccccc4)NC(=O)COc5c(F)cccc5F;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)NC4c5ccccc5CC4O)C","InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1","KNI-10265","2009-10-23","2020-06-17","(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["JZR","hexyl beta-D-glucopyranoside","C12 H24 O6","CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1","hexyl beta-D-glucoside; hexyl D-glucoside; hexyl glucoside","2009-11-11","2020-07-17","(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol",""],["JZS","N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide","C22 H21 F6 N5 O3","C[CH](NC(=O)c1cccc(c1)n2ncc3c(NCC(O)(C(F)(F)F)C(F)(F)F)cc(C)cc23)C(N)=O;Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)NC(C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H21F6N5O3/c1-11-6-16(30-10-20(36,21(23,24)25)22(26,27)28)15-9-31-33(17(15)7-11)14-5-3-4-13(8-14)19(35)32-12(2)18(29)34/h3-9,12,30,36H,10H2,1-2H3,(H2,29,34)(H,32,35)/t12-/m1/s1","","2009-11-11","2011-06-04","N-[(2R)-1-azanyl-1-oxo-propan-2-yl]-3-[6-methyl-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]indazol-1-yl]benzamide",""],["JZT","(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide","C39 H64 N6 O7","CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C;CC1(CC(=O)N(C(=O)C1)CC(C(C)(C)C)NC(=O)NC2CCCCCCCCCC(NC(=O)C3C4C(C4(C)C)CN3C2=O)C(C(=O)NCC=C)O)C","InChI=1S/C39H64N6O7/c1-9-19-40-34(50)32(48)25-17-15-13-11-10-12-14-16-18-26(35(51)45-22-24-30(39(24,7)8)31(45)33(49)41-25)42-36(52)43-27(37(2,3)4)23-44-28(46)20-38(5,6)21-29(44)47/h9,24-27,30-32,48H,1,10-23H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t24-,25-,26-,27+,30-,31-,32+/m0/s1","","2009-12-08","2024-09-27","",""],["JZU","5'-deoxy-5'-(sulfamoylamino)adenosine","C10 H15 N7 O5 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](N)(=O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)N)O)O)N","InChI=1S/C10H15N7O5S/c11-8-5-9(14-2-13-8)17(3-15-5)10-7(19)6(18)4(22-10)1-16-23(12,20)21/h2-4,6-7,10,16,18-19H,1H2,(H2,11,13,14)(H2,12,20,21)/t4-,6-,7-,10-/m1/s1","","2009-12-30","2024-09-27","6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine",""],["JZV","methyl (2E)-(methoxyimino)(2-{[({(1Z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate","C20 H19 F3 N2 O4","CON=C(C(=O)OC)c1ccccc1CON=C(C)c2cccc(c2)C(F)(F)F;CC(=NOCc1ccccc1C(=NOC)C(=O)OC)c2cccc(c2)C(F)(F)F","InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13-,25-18+","","2010-01-08","2011-06-04","methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanoate",""],["JZW","[3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol","C23 H29 N5 O4 S2","C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc(CO)c5;CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5","InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3","","2010-01-11","2011-06-04","[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]phenyl]methanol",""],["JZX","5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine","C21 H27 N7 O3 S2","C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5ccc(N)nc5;CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5","InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)14-16-12-17-19(32-16)21(27-8-10-31-11-9-27)25-20(24-17)15-2-3-18(22)23-13-15/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23)","","2010-01-11","2011-06-04","5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine",""],["JZY","4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine","C21 H28 N8 O3 S2","Cc1nc(N)ncc1c2nc3cc(CN4CCN(CC4)[S](C)(=O)=O)sc3c(n2)N5CCOCC5;Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C","InChI=1S/C21H28N8O3S2/c1-14-16(12-23-21(22)24-14)19-25-17-11-15(13-27-3-5-29(6-4-27)34(2,30)31)33-18(17)20(26-19)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)","","2010-01-11","2011-06-04","4-methyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine",""],["JZZ","4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C20 H21 N3 O2","COC1=NN(C)C(=O)N1c2cccc3ccc(cc23)C#CC(C)(C)C;CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC","InChI=1S/C20H21N3O2/c1-20(2,3)12-11-14-9-10-15-7-6-8-17(16(15)13-14)23-18(25-5)21-22(4)19(23)24/h6-10,13H,1-5H3","","2010-01-21","2011-06-04","4-[7-(3,3-dimethylbut-1-ynyl)naphthalen-1-yl]-5-methoxy-2-methyl-1,2,4-triazol-3-one",""],["K00","(2R,3R,4R,5R,6S)-3-FLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID","C9 H15 F O8","OC[CH](O)[CH](O)[CH]1O[CH]([CH](F)[CH](O)[CH]1O)C(O)=O;C(C(C(C1C(C(C(C(O1)C(=O)O)F)O)O)O)O)O","InChI=1S/C9H15FO8/c10-3-5(14)6(15)8(4(13)2(12)1-11)18-7(3)9(16)17/h2-8,11-15H,1H2,(H,16,17)/t2-,3-,4-,5+,6-,7+,8+/m1/s1","","2010-11-26","2012-05-10","(2R,3R,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",""],["K01","N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","C18 H22 N2 O2 S2","O=C(c1c3c(sc1NC(=O)c2sccc2)CCCC3)N(CC)CC;CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCCCc13;CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2","InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)","","2007-04-26","2011-06-04","N,N-diethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["K02","(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","C19 H24 N2 O2 S2","O=C(c1c3c(sc1NC(=O)c2sccc2)CCC(C3)C)N(CC)CC;CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CC[CH](C)Cc13;CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)C","InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1","","2007-04-07","2011-06-04","(5R)-N,N-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["K03","N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","C20 H26 N2 O2 S2","O=C(c1c3c(sc1NC(=O)c2sccc2)CCC(C3)(C)C)N(CC)CC;CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCC(C)(C)Cc13;CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C","InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)","","2007-04-10","2011-06-04","N,N-diethyl-5,5-dimethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["K04","(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)","C8 H11 N3 O2 S","n2cc(NC(C1OCCC1C)=O)sn2;C[CH]1CCO[CH]1C(=O)Nc2snnc2;CC1CCOC1C(=O)Nc2cnns2","InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7-/m0/s1","","2018-10-25","2018-12-14","(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)","2018-12-19"],["K05","(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE","C19 H16 N2 O4","O=C(c1cc(O)c(O)cc1)N/N=C/c3c2ccccc2ccc3OC;COc1ccc2ccccc2c1C=NNC(=O)c3ccc(O)c(O)c3;COc1ccc2ccccc2c1C=NNC(=O)c3ccc(c(c3)O)O","InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+","","2006-08-25","2011-06-04","3,4-dihydroxy-N'-[(1E)-(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide",""],["K06","6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one","C27 H29 N3 O3","CCCN1C(=O)COc2nc(c3ccc(cc3)[C]4(N)C[C](C)(O)C4)c(cc12)c5ccccc5;CCCN1c2cc(c(nc2OCC1=O)c3ccc(cc3)C4(CC(C4)(C)O)N)c5ccccc5","InChI=1S/C27H29N3O3/c1-3-13-30-22-14-21(18-7-5-4-6-8-18)24(29-25(22)33-15-23(30)31)19-9-11-20(12-10-19)27(28)16-26(2,32)17-27/h4-12,14,32H,3,13,15-17,28H2,1-2H3/t26-,27-","","2023-08-10","2023-08-11","6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one","2023-08-16"],["K07","5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine","C10 H14 Cl N3 O","n2c(N(CC1COCC1)C)c(cnc2)Cl;CN(C[CH]1CCOC1)c2ncncc2Cl;CN(CC1CCOC1)c2c(cncn2)Cl","InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1","","2018-10-25","2018-12-14","5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine","2018-12-19"],["K08","5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole","C23 H24 N4","n1nnnc1CCC3=C(C(=Cc2ccc(cc2)C(C)C)c4ccccc34)C;CC(C)c1ccc(cc1)C=C2C(=C(CCc3[nH]nnn3)c4ccccc24)C;CC1=C(c2ccccc2C1=Cc3ccc(cc3)C(C)C)CCc4[nH]nnn4","InChI=1S/C23H24N4/c1-15(2)18-10-8-17(9-11-18)14-22-16(3)19(12-13-23-24-26-27-25-23)20-6-4-5-7-21(20)22/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26,27)/b22-14-","","2013-11-06","2014-05-09","5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole","2014-05-14"],["K09","5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole","C23 H23 F N4","Fc4ccc2c(C(=C(C2=Cc1ccc(cc1)C(C)C)C)CCc3nnnn3)c4;CC(C)c1ccc(cc1)C=C2C(=C(CCc3[nH]nnn3)c4cc(F)ccc24)C;CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)C(C)C)F)CCc4[nH]nnn4","InChI=1S/C23H23FN4/c1-14(2)17-6-4-16(5-7-17)12-21-15(3)19(10-11-23-25-27-28-26-23)22-13-18(24)8-9-20(21)22/h4-9,12-14H,10-11H2,1-3H3,(H,25,26,27,28)/b21-12-","","2013-10-17","2014-05-09","5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole","2014-05-14"],["K0A","(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone","C10 H14 N2 O S","N1(CCCC1)C(=O)c2c(sc(n2)C)C;Cc1sc(C)c(n1)C(=O)N2CCCC2;Cc1c(nc(s1)C)C(=O)N2CCCC2","InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3","","2018-10-25","2018-12-14","(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone","2018-12-19"],["K0B","~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine","C27 H22 F2 N8 O","Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)c5ccc6ccccc6c5)N7CCOCC7)nc2c1F;c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7","InChI=1S/C27H22F2N8O/c28-19-7-8-20-23(22(19)29)33-21(32-20)14-30-25-24-26(35-27(34-25)36-9-11-38-12-10-36)37(15-31-24)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15H,9-12,14H2,(H,32,33)(H,30,34,35)","","2019-04-11","2020-03-20","~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine","2020-03-25"],["K0C","2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline","C19 H18 N4 O S","Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncccc3c2[NH]1;COc1c(C)cnc(CSc2[nH]c3c(ccc4ncccc34)n2)c1C;Cc1cnc(c(c1OC)C)CSc2[nH]c3c4cccnc4ccc3n2","InChI=1S/C19H18N4OS/c1-11-9-21-16(12(2)18(11)24-3)10-25-19-22-15-7-6-14-13(17(15)23-19)5-4-8-20-14/h4-9H,10H2,1-3H3,(H,22,23)","","2022-02-02","2022-10-07","2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline","2022-10-12"],["K0D","[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone","C9 H13 N3 O2 S","n2cc(C(N1C(C)COC(C)C1)=O)ns2;C[CH]1CN([CH](C)CO1)C(=O)c2cnsn2;CC1CN(C(CO1)C)C(=O)c2cnsn2","InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1","","2018-10-25","2018-12-14","[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone","2018-12-19"],["K0E","~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine","C23 H19 F3 N8 O","Fc1cccc(c1)n2cnc3c(NCc4[nH]c5c(F)c(F)ccc5n4)nc(nc23)N6CCOCC6;c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6","InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)","","2019-04-11","2020-03-20","~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine","2020-03-25"],["K0F","16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene","C29 H29 N2 O4","COc1ccc2c(CCCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC;COc1ccc2c(c1OC)c[n+]3c(c2CCCCc4ccncc4)-c5cc6c(cc5CC3)OCO6","InChI=1S/C29H29N2O4/c1-32-25-8-7-21-22(6-4-3-5-19-9-12-30-13-10-19)28-23-16-27-26(34-18-35-27)15-20(23)11-14-31(28)17-24(21)29(25)33-2/h7-10,12-13,15-17H,3-6,11,14,18H2,1-2H3/q+1","Berberine","2022-05-16","2022-12-02","16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene","2022-12-07"],["K0G","N-phenyl-N'-pyridin-3-ylurea","C12 H11 N3 O","N(c1cccnc1)C(Nc2ccccc2)=O;O=C(Nc1ccccc1)Nc2cccnc2;c1ccc(cc1)NC(=O)Nc2cccnc2","InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)","","2018-10-25","2018-12-14","N-phenyl-N'-pyridin-3-ylurea","2018-12-19"],["K0H","methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate","C36 H44 Cl N5 O7","CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(=O)OC)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34;CCC1C=CC2CCN(C2C(=O)N1CC(=O)OC)C(=O)C3CCC4N3C(=O)C5(CCCN5C(=O)C(Cc6ccccc6Cl)NC(=O)C)C=C4","InChI=1S/C36H44ClN5O7/c1-4-25-11-10-23-15-19-39(31(23)34(47)40(25)21-30(44)49-3)33(46)29-13-12-26-14-17-36(35(48)42(26)29)16-7-18-41(36)32(45)28(38-22(2)43)20-24-8-5-6-9-27(24)37/h5-6,8-11,14,17,23,25-26,28-29,31H,4,7,12-13,15-16,18-21H2,1-3H3,(H,38,43)/t23-,25+,26-,28-,29-,31-,36+/m0/s1","","2019-04-11","2020-05-08","methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate","2020-05-13"],["K0I","3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid","C22 H23 N5 O2","O=C(O)CCNc2nc(c1ncccc1)nc(c2)N3CCc4c(CC3)cccc4;OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3;c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O","InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)","3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid","2012-05-01","2021-03-13","N-[2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-4-yl]-beta-alanine",""],["K0J","N-ethyl-1H-1,2,3-triazole-4-carboxamide","C5 H8 N4 O","n1nnc(c1)C(NCC)=O;CCNC(=O)c1c[nH]nn1;CCNC(=O)c1c[nH]nn1","InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)","","2018-10-25","2018-12-14","N-ethyl-1H-1,2,3-triazole-4-carboxamide","2018-12-19"],["K0K","2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid","C35 H42 Cl N5 O7","CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(O)=O)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34;CCC1C=CC2CCN(C2C(=O)N1CC(=O)O)C(=O)C3CCC4N3C(=O)C5(CCCN5C(=O)C(Cc6ccccc6Cl)NC(=O)C)C=C4","InChI=1S/C35H42ClN5O7/c1-3-24-10-9-22-14-18-38(30(22)33(47)39(24)20-29(43)44)32(46)28-12-11-25-13-16-35(34(48)41(25)28)15-6-17-40(35)31(45)27(37-21(2)42)19-23-7-4-5-8-26(23)36/h4-5,7-10,13,16,22,24-25,27-28,30H,3,6,11-12,14-15,17-20H2,1-2H3,(H,37,42)(H,43,44)/t22-,24+,25-,27-,28-,30-,35+/m0/s1","","2019-04-11","2020-05-08","2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid","2020-05-13"],["K0L","(4-amino-2,6-dimethylphenoxy)acetic acid","C10 H13 N O3","O=C(O)COc1c(cc(cc1C)N)C;Cc1cc(N)cc(C)c1OCC(O)=O;Cc1cc(cc(c1OCC(=O)O)C)N","InChI=1S/C10H13NO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5,11H2,1-2H3,(H,12,13)","","2010-11-10","2012-01-13","(4-amino-2,6-dimethylphenoxy)acetic acid",""],["K0M","3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide","C9 H10 N4 O2","N(c1nn(cc1)C)C(c2onc(C)c2)=O;Cn1ccc(NC(=O)c2onc(C)c2)n1;Cc1cc(on1)C(=O)Nc2ccn(n2)C","InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)","","2018-10-25","2018-12-14","3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide","2018-12-19"],["K0N","(~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide","C17 H18 N4 O3 S","COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(nn2)C(C)(C)C;CC(C)(C)c1nnc(s1)NC(=O)C(=Cc2ccc(c(c2)OC)O)C#N","InChI=1S/C17H18N4O3S/c1-17(2,3)15-20-21-16(25-15)19-14(23)11(9-18)7-10-5-6-12(22)13(8-10)24-4/h5-8,22H,1-4H3,(H,19,21,23)/b11-7+","","2019-04-11","2020-04-03","(~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide","2020-04-08"],["K0O","Aspterric Acid","C15 H22 O4","CC(C)=C1CC[C]23CO[CH](C2)[C](O)(CC[CH]13)C(O)=O;CC(=C1CCC23C1CCC(C(C2)OC3)(C(=O)O)O)C","InChI=1S/C15H22O4/c1-9(2)10-3-5-14-7-12(19-8-14)15(18,13(16)17)6-4-11(10)14/h11-12,18H,3-8H2,1-2H3,(H,16,17)/t11-,12+,14+,15+/m0/s1","(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid","2022-09-02","2024-11-29","(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid","2024-12-04"],["K0P","N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide","C12 H14 N4 O","N(Cc1cnn(c1)CC)C(c2cnccc2)=O;CCn1cc(CNC(=O)c2cccnc2)cn1;CCn1cc(cn1)CNC(=O)c2cccnc2","InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)","","2018-10-25","2018-12-14","N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide","2018-12-19"],["K0Q","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide","C17 H17 N3 O3","OC1=CC=CN(CC(=O)NCCc2c[nH]c3ccccc23)C1=O;c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O","InChI=1S/C17H17N3O3/c21-15-6-3-9-20(17(15)23)11-16(22)18-8-7-12-10-19-14-5-2-1-4-13(12)14/h1-6,9-10,19,21H,7-8,11H2,(H,18,22)","","2019-04-12","2020-02-14","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide","2020-02-19"],["K0R","4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","C18 H15 Cl N6 O","Clc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C;Cn1nc(C)c(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)Cl","InChI=1S/C18H15ClN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)","","2022-02-02","2022-10-07","4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["K0S","N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide","C11 H12 N4 O S","n1nc(CCC)sc1NC(c2ncccc2)=O;CCCc1sc(NC(=O)c2ccccn2)nn1;CCCc1nnc(s1)NC(=O)c2ccccn2","InChI=1S/C11H12N4OS/c1-2-5-9-14-15-11(17-9)13-10(16)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)","","2018-10-25","2018-12-14","N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide","2018-12-19"],["K0T","(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid","C34 H45 N7 O6 S","CN(C)c1cccc2c1cccc2[S](=O)(=O)N3CCCC[CH]3C(=O)N[CH](CCc4ccccc4)C(=O)N[CH](CCCNC(N)=N)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)N3CCCCC3C(=O)NC(CCc4ccccc4)C(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C34H45N7O6S/c1-40(2)28-17-8-14-25-24(28)13-9-18-30(25)48(46,47)41-22-7-6-16-29(41)32(43)38-26(20-19-23-11-4-3-5-12-23)31(42)39-27(33(44)45)15-10-21-37-34(35)36/h3-5,8-9,11-14,17-18,26-27,29H,6-7,10,15-16,19-22H2,1-2H3,(H,38,43)(H,39,42)(H,44,45)(H4,35,36,37)/t26-,27-,29-/m0/s1","","2019-04-12","2020-05-08","(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid","2020-05-13"],["K0U","(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid","C11 H11 Cl3 O2 S","Clc1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl;CC(C)[CH](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O;CC(C)C(C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl","InChI=1S/C11H11Cl3O2S/c1-5(2)10(11(15)16)17-9-4-7(13)6(12)3-8(9)14/h3-5,10H,1-2H3,(H,15,16)/t10-/m0/s1","","2023-05-05","2025-07-29","(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid","2023-06-14"],["K0V","methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate","C12 H22 N2 O3","N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O;COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C;CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC","InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)","","2018-10-25","2018-12-14","methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate","2018-12-19"],["K0W","[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate","C6 H20 O30 P8","O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4+,5-,6+/m0/s1","","2019-04-13","2019-08-30","[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate","2019-09-04"],["K0X","(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide","C24 H34 F N7 O2","C1CCCNC(=O)C(N)CCCCNc2c(cnc(NCC1)n2)C(=O)NCc3ccc(cc3)F;N[CH]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc3ccc(F)cc3;c1cc(ccc1CNC(=O)c2cnc3nc2NCCCCC(C(=O)NCCCCCCN3)N)F","InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1","UNC2541","2016-05-20","2021-03-01","(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide","2017-02-22"],["K0Y","methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate","C8 H10 N2 O4","n1c(C(NCC(OC)=O)=O)cc(C)o1;COC(=O)CNC(=O)c1cc(C)on1;Cc1cc(no1)C(=O)NCC(=O)OC","InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)","","2018-10-25","2018-12-14","methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate","2018-12-19"],["K0Z","(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide","C13 H9 Br N4 O3 S","COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(Br)nn2;COc1cc(ccc1O)C=C(C#N)C(=O)Nc2nnc(s2)Br","InChI=1S/C13H9BrN4O3S/c1-21-10-5-7(2-3-9(10)19)4-8(6-15)11(20)16-13-18-17-12(14)22-13/h2-5,19H,1H3,(H,16,18,20)/b8-4+","","2019-04-14","2020-04-03","(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide","2020-04-08"],["K10","1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE","C18 H23 N5","n1c(c2c(nc1)n(nc2Cc3cc(ccc3C)C)C(C)(C)C)N;Cc1ccc(C)c(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1;Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C","InChI=1S/C18H23N5/c1-11-6-7-12(2)13(8-11)9-14-15-16(19)20-10-21-17(15)23(22-14)18(3,4)5/h6-8,10H,9H2,1-5H3,(H2,19,20,21)","","2005-11-15","2011-06-04","1-tert-butyl-3-(2,5-dimethylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["K11","N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine","C28 H20 F3 N7 O","FC(F)(F)c6cc1c(nc(n1)Nc5c2ccccc2c(Oc4ncccc4c3nc(ncc3)NC)cc5)cc6;CNc1nccc(n1)c2cccnc2Oc3ccc(Nc4[nH]c5cc(ccc5n4)C(F)(F)F)c6ccccc36;CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F","InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)","","2008-10-17","2011-06-04","N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine",""],["K12","12-hydroxydodecyl dihydrogen phosphate","C12 H27 O5 P","O=P(OCCCCCCCCCCCCO)(O)O;OCCCCCCCCCCCCO[P](O)(O)=O;C(CCCCCCOP(=O)(O)O)CCCCCO","InChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16)","","2010-08-24","2011-07-01","12-hydroxydodecyl dihydrogen phosphate",""],["K13","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate","C28 H39 N3 O7 S","O=S(=O)(c1ccc(N)cc1)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)cc4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["K14","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate","C29 H40 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(OC)cc4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H40N2O8S/c1-4-20(2)17-31(40(34,35)23-12-10-22(36-3)11-13-23)18-26(32)25(16-21-8-6-5-7-9-21)30-29(33)39-27-19-38-28-24(27)14-15-37-28/h5-13,20,24-28,32H,4,14-19H2,1-3H3,(H,30,33)/t20-,24-,25-,26+,27-,28+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate",""],["K15","5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine","C20 H33 N7 O5","O=C(O)C(N)CCN(CCCCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCCCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C20H33N7O5/c1-2-3-4-5-7-26(8-6-12(21)20(30)31)9-13-15(28)16(29)19(32-13)27-11-25-14-17(22)23-10-24-18(14)27/h10-13,15-16,19,28-29H,2-9,21H2,1H3,(H,30,31)(H2,22,23,24)/t12-,13+,15+,16+,19+/m0/s1","","2012-08-01","2013-03-22","5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine","2013-03-27"],["K16","Cephaeline","C28 H38 N2 O4","CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(O)c(OC)cc45;CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)O)OC)OC)OC","InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1","(1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol","2023-08-10","2023-10-25","(1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol","2023-09-13"],["K17","4,5,6,7-TETRABROMO-BENZIMIDAZOLE","C7 H2 Br4 N2","Brc2c1c(ncn1)c(Br)c(Br)c2Br;Brc1c(Br)c(Br)c2nc[nH]c2c1Br;c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br","InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)","","2007-03-12","2011-06-04","4,5,6,7-tetrabromo-1H-benzimidazole",""],["K18","N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea","C17 H20 N6 O","Cc1cc(C)nn1CCNC(=O)Nc1ccnn1c1ccccc1;Cc1cc(C)n(CCNC(=O)Nc2ccnn2c3ccccc3)n1;Cc1cc(n(n1)CCNC(=O)Nc2ccnn2c3ccccc3)C","InChI=1S/C17H20N6O/c1-13-12-14(2)22(21-13)11-10-18-17(24)20-16-8-9-19-23(16)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,18,20,24)","","2022-02-02","2022-10-07","N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea","2022-10-12"],["K19","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate","C29 H37 N3 O7 S2","O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)CC)S(=O)(=O)c4ccc5ncsc5c4;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5ncsc5c4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C29H37N3O7S2/c1-3-19(2)15-32(41(35,36)21-9-10-23-27(14-21)40-18-30-23)16-25(33)24(13-20-7-5-4-6-8-20)31-29(34)39-26-17-38-28-22(26)11-12-37-28/h4-10,14,18-19,22,24-26,28,33H,3,11-13,15-17H2,1-2H3,(H,31,34)/t19-,22-,24-,25+,26-,28+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["K1A","3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one","C9 H11 N3 O2 S","N1(C(SC(=N1)C)=O)Cc2c(C)noc2C;Cc1onc(C)c1CN2N=C(C)SC2=O;Cc1c(c(on1)C)CN2C(=O)SC(=N2)C","InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3","","2018-10-25","2018-12-14","3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one","2018-12-19"],["K1B","(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide","C12 H6 Br N5 O4 S","Oc1ccc(C=C(C#N)C(=O)Nc2sc(Br)nn2)cc1[N+]([O-])=O;c1cc(c(cc1C=C(C#N)C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O","InChI=1S/C12H6BrN5O4S/c13-11-16-17-12(23-11)15-10(20)7(5-14)3-6-1-2-9(19)8(4-6)18(21)22/h1-4,19H,(H,15,17,20)/b7-3+","","2019-04-15","2020-04-03","(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide","2020-04-08"],["K1C","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine","C21 H24 F2 N10 O9 P2","Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3CC4COP(=O)(OC5C(COP(=O)(OC4C3F)O)OC(C5F)n6cnc7c6ncnc7N)O)N","InChI=1S/C21H24F2N10O9P2/c22-11-9(32-6-30-13-17(24)26-4-28-19(13)32)1-8-2-38-43(34,35)42-16-10(3-39-44(36,37)41-15(8)11)40-21(12(16)23)33-7-31-14-18(25)27-5-29-20(14)33/h4-12,15-16,21H,1-3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/t8-,9-,10-,11+,12-,15-,16-,21-/m1/s1","","2022-05-16","2023-11-17","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine","2023-11-22"],["K1D","6-(azetidin-1-yl)-9H-purine","C8 H9 N5","n2cnc1ncnc1c2N3CCC3;C1CN(C1)c2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)N3CCC3","InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)","","2018-10-25","2018-12-14","6-(azetidin-1-yl)-9H-purine","2018-12-19"],["K1E","methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate","C25 H32 N10 O2","COC(=O)N1CCN(CC1)[CH]2CC[CH](CC2)Nc3nc(Nc4cnn(C)c4)nc5ccc(CC#N)nc35;Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N","InChI=1S/C25H32N10O2/c1-33-16-19(15-27-33)30-24-31-21-8-5-18(9-10-26)28-22(21)23(32-24)29-17-3-6-20(7-4-17)34-11-13-35(14-12-34)25(36)37-2/h5,8,15-17,20H,3-4,6-7,9,11-14H2,1-2H3,(H2,29,30,31,32)/t17-,20-","","2019-04-15","2019-10-25","methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate","2019-10-30"],["K1F","[(2R,3S,4R,5R)-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N3 O9 P","NC(=O)C1=NC=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;C1=CN(C(=O)C(=N1)C(=O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H14N3O9P/c11-8(16)5-9(17)13(2-1-12-5)10-7(15)6(14)4(22-10)3-21-23(18,19)20/h1-2,4,6-7,10,14-15H,3H2,(H2,11,16)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","Beta-D-riboruranosyl-3-oxo-2-pyrazinecarboxamide; T1106 nucleoside analogue","2022-09-06","2023-02-08","[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-12-28"],["K1G","N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C10 H15 N5","n1cnc2n(C)ncc2c1N(C)C(C)C;CC(C)N(C)c1ncnc2n(C)ncc12;CC(C)N(C)c1c2cnn(c2ncn1)C","InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3","","2018-10-25","2018-12-14","N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2018-12-19"],["K1H","methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate","C21 H26 N6 O2","COC(=O)N1CCN(CC1)[CH]2CC[CH](CC2)Nc3ncnc4ccc(cc34)C#N;COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N","InChI=1S/C21H26N6O2/c1-29-21(28)27-10-8-26(9-11-27)17-5-3-16(4-6-17)25-20-18-12-15(13-22)2-7-19(18)23-14-24-20/h2,7,12,14,16-17H,3-6,8-11H2,1H3,(H,23,24,25)/t16-,17-","","2019-04-15","2019-10-25","methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate","2019-10-30"],["K1I","3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one","C21 H14 F2 N4 O5 S","CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cccc2OC(F)(F)Oc12;C[S](=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5OC(F)(F)Oc45;CS(=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5c4OC(O5)(F)F","InChI=1S/C21H14F2N4O5S/c1-33(29,30)14-5-2-4-13(12-14)26-11-9-17(28)19(25-26)15-8-10-24-27(15)16-6-3-7-18-20(16)32-21(22,23)31-18/h2-12H,1H3","","2022-02-02","2022-10-07","3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one","2022-10-12"],["K1J","(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine","C9 H15 N3 O S","n1c(snc1C)N2C(C)C(C)OCC2;C[CH]1OCCN([CH]1C)c2snc(C)n2;Cc1nc(sn1)N2CCOC(C2C)C","InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1","","2018-10-25","2018-12-14","(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine","2018-12-19"],["K1L","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","C21 H24 F N9 O11 P2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(CC(C5O)n6cnc7c6NC=NC7=O)COP(=O)(O4)O)O)F)N","InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1","","2022-05-16","2023-11-24","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","2023-11-29"],["K1N","(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C35 H40 Cl N5 O7","CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)O)C=C6","InChI=1S/C35H40ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1","","2019-04-16","2024-09-27","(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2020-05-13"],["K1O","2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine","C14 H12 Cl N9","CNc1nc(Cl)nc2n(Cc3cccc(c3)c4[nH]nnn4)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)c4[nH]nnn4","InChI=1S/C14H12ClN9/c1-16-12-10-13(19-14(15)18-12)24(7-17-10)6-8-3-2-4-9(5-8)11-20-22-23-21-11/h2-5,7H,6H2,1H3,(H,16,18,19)(H,20,21,22,23)","","2023-08-10","2023-12-01","2-chloranyl-~{N}-methyl-9-[[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine","2023-12-06"],["K1P","1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane","C8 H14 N4 S","n1c(snc1C)N2CCNCCC2;Cc1nsc(n1)N2CCCNCC2;Cc1nc(sn1)N2CCCNCC2","InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)12-5-2-3-9-4-6-12/h9H,2-6H2,1H3","","2018-10-25","2018-12-14","1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane","2018-12-19"],["K1Q","3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide","C29 H30 F N3 O3","COc1ccc(cc1C#CC(=O)NCCc2ccccc2F)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34;CC(C)N1C(=O)C2CC=CCC2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC","InChI=1S/C29H30FN3O3/c1-19(2)33-29(35)24-10-6-5-9-23(24)28(32-33)22-12-14-26(36-3)21(18-22)13-15-27(34)31-17-16-20-8-4-7-11-25(20)30/h4-8,11-12,14,18-19,23-24H,9-10,16-17H2,1-3H3,(H,31,34)/t23-,24+/m0/s1","","2019-04-16","2019-07-19","3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide","2019-07-24"],["K1R","(2S)-2-AMINO-4-[({[(2R)-2-AMINO-2-CARBOXYETHYL]THIO}AMINO)SULFINYL]BUTANOIC ACID","C7 H15 N3 O5 S2","O=S(NSCC(N)C(=O)O)CCC(C(=O)O)N;N[CH](CC[S](=O)NSC[CH](N)C(O)=O)C(O)=O;C(CS(=O)NSCC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-17(15)10-16-3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1","N-THIOSULFOXIMIDE","2006-03-17","2024-09-27","(2S)-2-amino-4-[(R)-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}amino)sulfinyl]butanoic acid",""],["K1S","N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C10 H15 N5","n1c(cc(n2ncnc12)N(CC)CC)C;CCN(CC)c1cc(C)nc2ncnn12;CCN(CC)c1cc(nc2n1ncn2)C","InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3","","2018-10-25","2018-12-14","N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2018-12-19"],["K1T","5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid","C19 H28 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)CCCN;CC(C)C[CH](CNC(=O)CCCN)Cc1ccc2OCOc2c1C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN","InChI=1S/C19H28N2O5/c1-12(2)8-13(10-21-16(22)4-3-7-20)9-14-5-6-15-18(26-11-25-15)17(14)19(23)24/h5-6,12-13H,3-4,7-11,20H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1","","2013-12-24","2014-01-17","5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-22"],["K1U","(3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid","C19 H18 O4 S","OC(CC(Cc1ccccc1)C(=O)SCC(=O)c2ccccc2)=O;OC(=O)C[CH](Cc1ccccc1)C(=O)SCC(=O)c2ccccc2;c1ccc(cc1)CC(CC(=O)O)C(=O)SCC(=O)c2ccccc2","InChI=1S/C19H18O4S/c20-17(15-9-5-2-6-10-15)13-24-19(23)16(12-18(21)22)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)/t16-/m1/s1","","2018-11-02","2019-10-18","(3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid","2019-10-23"],["K1V","(3R)-1-acetylpiperidine-3-carboxamide","C8 H14 N2 O2","NC(C1CCCN(C1)C(C)=O)=O;CC(=O)N1CCC[CH](C1)C(N)=O;CC(=O)N1CCCC(C1)C(=O)N","InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m1/s1","","2018-10-25","2018-12-14","(3R)-1-acetylpiperidine-3-carboxamide","2018-12-19"],["K1W","4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","C18 H21 N3 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[CH]2Cc3ccccc3;c1ccc(cc1)CC2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1","","2019-04-16","2020-05-08","4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","2020-05-13"],["K1X","3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C23 H14 F3 N5 O2","FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccnc2ccccc12;FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccnc5ccccc45;c1ccc2c(c1)c(ccn2)n3c(ccn3)C4=NN(C=CC4=O)c5cccc(c5)OC(F)(F)F","InChI=1S/C23H14F3N5O2/c24-23(25,26)33-16-5-3-4-15(14-16)30-13-10-21(32)22(29-30)20-9-12-28-31(20)19-8-11-27-18-7-2-1-6-17(18)19/h1-14H","","2022-02-02","2022-10-07","3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2022-10-12"],["K1Y","methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate","C12 H12 N2 O2 S","n1c(C)sc(c1c2ccccc2)NC(OC)=O;COC(=O)Nc1sc(C)nc1c2ccccc2;Cc1nc(c(s1)NC(=O)OC)c2ccccc2","InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)","","2018-10-25","2018-12-14","methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate","2018-12-19"],["K1Z","[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate","C23 H27 N10 O11 P","Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)OP(=O)(O)O)N)O)O)N","InChI=1S/C23H27N10O11P/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)14(35)10(43-22)5-41-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(44-45(38,39)40)15(36)9(4-34)42-23/h6-10,14-17,22-23,34-37H,3-5H2,(H2,24,26,28)(H2,25,27,29)(H2,38,39,40)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1","","2019-04-16","2020-05-08","[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate","2020-05-13"],["K20","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate","C29 H38 N2 O9 S","O=S(=O)(c2cc1OCOc1cc2)N(CC(C)CC)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5OCOc5c4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C29H38N2O9S/c1-3-19(2)15-31(41(34,35)21-9-10-25-26(14-21)39-18-38-25)16-24(32)23(13-20-7-5-4-6-8-20)30-29(33)40-27-17-37-28-22(27)11-12-36-28/h4-10,14,19,22-24,27-28,32H,3,11-13,15-18H2,1-2H3,(H,30,33)/t19-,22-,23-,24+,27-,28+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["K21","4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE","C25 H32 N2 O2 S","O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4;COc1ccc2SCCN(Cc2c1)C(=O)CCN3CCC(CC3)Cc4ccccc4;COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4","InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3","K201","1999-07-08","2020-06-17","4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine",""],["K22","4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE","C7 H2 Br4 N2 S","Brc1c2c(c(Br)c(Br)c1Br)NC(=S)N2;Brc1c(Br)c(Br)c2NC(=S)Nc2c1Br;c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2","InChI=1S/C7H2Br4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)","","2007-03-12","2011-06-04","4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazole-2-thione",""],["K23","6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid","C25 H17 Cl2 N3 O2","OC(=O)c1[nH]c2cc(Cl)ccc2c1c3n(Cc4ccc(Cl)cc4)cnc3c5ccccc5;c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl","InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)","","2010-01-25","2011-06-04","6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-4-yl]-1H-indole-2-carboxylic acid",""],["K24","N,2-dimethyl-1,3-thiazole-5-carboxamide","C6 H8 N2 O S","n1cc(C(NC)=O)sc1C;CNC(=O)c1sc(C)nc1;Cc1ncc(s1)C(=O)NC","InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)","","2018-10-25","2018-12-14","N,2-dimethyl-1,3-thiazole-5-carboxamide","2018-12-19"],["K25","4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE","C9 H7 Br4 N3","Brc2c1nc(nc1c(Br)c(Br)c2Br)N(C)C;CN(C)c1[nH]c2c(Br)c(Br)c(Br)c(Br)c2n1;CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br","InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)","DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE","2005-05-17","2021-03-13","4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine",""],["K26","N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID","C25 H34 N3 O8 P","O=C(NC(C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)P(=O)(O)O)Cc2ccc(O)cc2)C(C)CC)C;CC[CH](C)[CH](NC(C)=O)C(=O)N[CH](Cc1ccc(O)cc1)C(=O)N[CH](Cc2ccc(O)cc2)[P](O)(O)=O;CCC(C)C(C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C","InChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1","","2010-06-18","2011-06-04","N-acetyl-L-isoleucyl-N-[(1R)-2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-tyrosinamide",""],["K27","4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium","C15 H18 N4 O2","O=C(c1cc[n+](cc1)CCC[n+]2ccc(C=NO)cc2)N;NC(=O)c1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1;c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C(=O)N","InChI=1S/C15H16N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-12H,1,6-7H2,(H-,16,20)/p+2","","2009-05-06","2011-06-04","4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium",""],["K28","[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate","C24 H30 N11 O10 P","CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)OP(=O)(O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C24H30N11O10P/c1-33(5-10-15(37)17(39)23(43-10)34-9-31-13-19(25)27-7-29-21(13)34)4-2-3-12-32-14-20(26)28-8-30-22(14)35(12)24-18(45-46(40,41)42)16(38)11(6-36)44-24/h7-11,15-18,23-24,36-39H,4-6H2,1H3,(H2,25,27,29)(H2,26,28,30)(H2,40,41,42)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1","","2019-04-16","2020-05-08","[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate","2020-05-13"],["K29","(3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","C21 H18 N2 O3 S","OC(=O)[CH]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cnc5ccccc5c4;c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4C(CSC4=C3C5CC5)C(=O)O","InChI=1S/C21H18N2O3S/c24-18-9-15(8-12-7-14-3-1-2-4-16(14)22-10-12)19(13-5-6-13)20-23(18)17(11-27-20)21(25)26/h1-4,7,9-10,13,17H,5-6,8,11H2,(H,25,26)/t17-/m0/s1","","2017-10-31","2018-04-27","(3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","2018-05-02"],["K2A","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate","C29 H40 N2 O8 S","O=S(=O)(c1ccc(cc1)CO)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(CO)cc4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1S/C29H40N2O8S/c1-3-20(2)16-31(40(35,36)23-11-9-22(18-32)10-12-23)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-19-38-28-24(27)13-14-37-28/h4-12,20,24-28,32-33H,3,13-19H2,1-2H3,(H,30,34)/t20-,24-,25-,26+,27-,28+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)-1-phenylbutan-2-yl]carbamate",""],["K2B","(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE","C27 H44 O","O=C4C=C2C(C1CCC3(C(C1CC2)CCC3C(C)CCCC(C)C)C)(C)CC4;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1","","2010-02-10","2011-06-04","(8alpha,9beta)-cholest-4-en-3-one",""],["K2C","6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one","C20 H13 N3 O","O=C5c4c1c6c(nc1c3c(c2ccccc2n3)c4CN5)cccc6;O=C1NCc2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25;c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4","InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)","","2007-09-04","2011-06-04","6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one",""],["K2D","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate","C30 H42 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(CC)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(OC)cc4;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C30H42N2O8S/c1-4-21(5-2)18-32(41(35,36)24-13-11-23(37-3)12-14-24)19-27(33)26(17-22-9-7-6-8-10-22)31-30(34)40-28-20-39-29-25(28)15-16-38-29/h6-14,21,25-29,33H,4-5,15-20H2,1-3H3,(H,31,34)/t25-,26-,27+,28-,29+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["K2E","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate","C30 H40 N2 O9 S","O=S(=O)(c2cc1OCOc1cc2)N(CC(CC)CC)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5OCOc5c4;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C30H40N2O9S/c1-3-20(4-2)16-32(42(35,36)22-10-11-26-27(15-22)40-19-39-26)17-25(33)24(14-21-8-6-5-7-9-21)31-30(34)41-28-18-38-29-23(28)12-13-37-29/h5-11,15,20,23-25,28-29,33H,3-4,12-14,16-19H2,1-2H3,(H,31,34)/t23-,24-,25+,28-,29+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate",""],["K2F","2'-methoxyethyl-adenosine-5'-thiophosphate","C13 H20 N5 O7 P S","COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3c(N)ncnc23;COCCOC1C(C(OC1n2cnc3c2ncnc3N)COP(=S)(O)O)O","InChI=1S/C13H20N5O7PS/c1-22-2-3-23-10-9(19)7(4-24-26(20,21)27)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,27)/t7-,9-,10-,13-/m1/s1","(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol","2022-05-16","2022-09-09","(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol","2022-09-14"],["K2G","5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide","C8 H10 Cl N3 O","n1c(c(cnc1C(C)C)Cl)C(=O)N;CC(C)c1ncc(Cl)c(n1)C(N)=O;CC(C)c1ncc(c(n1)C(=O)N)Cl","InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)","","2018-10-25","2018-12-14","5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide","2018-12-19"],["K2H","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol","C19 H21 N11 O3","CN(CC#Cc1[nH]c2ncnc(N)c2n1)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C19H21N11O3/c1-29(4-2-3-10-27-11-15(20)22-6-24-17(11)28-10)5-9-13(31)14(32)19(33-9)30-8-26-12-16(21)23-7-25-18(12)30/h6-9,13-14,19,31-32H,4-5H2,1H3,(H2,21,23,25)(H3,20,22,24,27,28)/t9-,13-,14-,19-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol","2020-02-19"],["K2I","2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione","C6 H2 Br2 O2","BrC1=CC(=O)C(=CC1=O)Br;C1=C(C(=O)C=C(C1=O)Br)Br","InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H","","2022-09-06","2023-06-30","2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione","2023-07-05"],["K2J","4-methoxy-N-methylpyrimidin-2-amine","C6 H9 N3 O","n1ccc(OC)nc1NC;CNc1nccc(OC)n1;CNc1nccc(n1)OC","InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)","","2018-10-25","2018-12-14","4-methoxy-N-methylpyrimidin-2-amine","2018-12-19"],["K2K","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol","C19 H21 N11 O3","Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCC#Cc4[nH]c5ncnc(N)c5n4)[CH](O)[CH]3O;c1nc(c2c(n1)[nH]c(n2)C#CCCNCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N","InChI=1S/C19H21N11O3/c20-15-11-17(25-6-23-15)29-10(28-11)3-1-2-4-22-5-9-13(31)14(32)19(33-9)30-8-27-12-16(21)24-7-26-18(12)30/h6-9,13-14,19,22,31-32H,2,4-5H2,(H2,21,24,26)(H3,20,23,25,28,29)/t9-,13-,14-,19-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol","2020-02-19"],["K2L","1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one","C17 H21 N7 O","O=C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)c1;Cn1cc(nc1CCc2nn3c(C)ncc(C)c3n2)N4CCCC4=O;Cc1cnc(n2c1nc(n2)CCc3nc(cn3C)N4CCCC4=O)C","InChI=1S/C17H21N7O/c1-11-9-18-12(2)24-17(11)19-13(21-24)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3","","2022-02-02","2022-10-07","1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one","2022-10-12"],["K2M","4-(furan-2-carbonyl)piperazine-1-carboxamide","C10 H13 N3 O3","N2(CCN(C(=O)c1occc1)CC2)C(N)=O;NC(=O)N1CCN(CC1)C(=O)c2occc2;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N","InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)","","2018-10-25","2018-12-14","4-(furan-2-carbonyl)piperazine-1-carboxamide","2018-12-19"],["K2N","ethyl [(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate","C17 H19 N5 O2","O=C(OCC)Nc2nc(c3N=C(c1ccccc1)C(Nc3c2)C)N;CCOC(=O)Nc1cc2N[CH](C)C(=Nc2c(N)n1)c3ccccc3;CCOC(=O)Nc1cc2c(c(n1)N)N=C(C(N2)C)c3ccccc3","InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1","","2010-05-25","2011-06-04","ethyl [(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate",""],["K2O","6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide","C13 H23 N5 O4","C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O;CC(C(C=O)NC(=O)C(C)NC(=O)CCCCCN=[N+]=[N-])O","InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10-,11-/m1/s1","Beta-lactone antibacterial agent (open form)","2022-05-17","2024-09-27","6-azido-~{N}-[(2~{R})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide","2022-11-02"],["K2P","2-(trifluoromethoxy)benzoic acid","C8 H5 F3 O3","c1ccc(c(c1)OC(F)(F)F)C(O)=O;OC(=O)c1ccccc1OC(F)(F)F;c1ccc(c(c1)C(=O)O)OC(F)(F)F","InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)","","2018-10-25","2018-12-14","2-(trifluoromethoxy)benzoic acid","2018-12-19"],["K2Q","(1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid","C10 H12 O5","O=C(O)C1=CC2(O)C=CCOC(C1)C2O;O[CH]1[CH]2CC(=C[C]1(O)C=CCO2)C(O)=O;C1C=CC2(C=C(CC(C2O)O1)C(=O)O)O","InChI=1S/C10H12O5/c11-8-7-4-6(9(12)13)5-10(8,14)2-1-3-15-7/h1-2,5,7-8,11,14H,3-4H2,(H,12,13)/t7-,8+,10-/m1/s1","","2013-06-02","2014-09-05","(1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4,7-diene-8-carboxylic acid","2013-08-07"],["K2R","3-[3-[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid","C19 H21 N4 O9 P","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4cccc(CCC(O)=O)c4;c1cc(cc(c1)c2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)O)O)O)CCC(=O)O","InChI=1S/C19H21N4O9P/c24-13(25)5-4-10-2-1-3-11(6-10)14-15-18(21-8-20-14)23(9-22-15)19-17(27)16(26)12(32-19)7-31-33(28,29)30/h1-3,6,8-9,12,16-17,19,26-27H,4-5,7H2,(H,24,25)(H2,28,29,30)/t12-,16-,17-,19-/m1/s1","","2020-05-25","2020-11-20","3-[3-[9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid","2020-11-25"],["K2S","N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide","C7 H13 N3 O2 S","n1nc(C)c(c1C)S(N(C)C)(=O)=O;CN(C)[S](=O)(=O)c1c(C)[nH]nc1C;Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C","InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)","","2018-10-25","2018-12-14","N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide","2018-12-19"],["K2T","6-methyl-1,3-benzothiazol-2-amine","C8 H8 N2 S","n1c2ccc(cc2sc1N)C;Cc1ccc2nc(N)sc2c1;Cc1ccc2c(c1)sc(n2)N","InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)","","2015-02-12","2015-05-08","6-methyl-1,3-benzothiazol-2-amine","2015-05-13"],["K2U","(3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid","C18 H20 O3 S","O[CH](SCc1ccccc1)[CH](CC(O)=O)Cc2ccccc2;c1ccc(cc1)CC(CC(=O)O)C(O)SCc2ccccc2","InChI=1S/C18H20O3S/c19-17(20)12-16(11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20)/t16-,18-/m1/s1","","2018-11-04","2019-10-18","(3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid","2019-10-23"],["K2V","(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine","C12 H13 N3","n2cc(c1ccc(cc1)C(N)C)cnc2;C[CH](N)c1ccc(cc1)c2cncnc2;CC(c1ccc(cc1)c2cncnc2)N","InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1","","2018-10-25","2018-12-14","(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine","2018-12-19"],["K2W","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol","C24 H29 N11 O7","Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNCCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C24H29N11O7/c25-19-13-21(30-7-28-19)34(9-32-13)23-17(39)15(37)10(41-23)5-27-4-2-1-3-12-33-14-20(26)29-8-31-22(14)35(12)24-18(40)16(38)11(6-36)42-24/h7-11,15-18,23-24,27,36-40H,2,4-6H2,(H2,25,28,30)(H2,26,29,31)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol","2020-02-19"],["K2X","(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate","C24 H34 Cl N3 O5 S","Clc1cccc(c1)COC(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S;O[CH](S)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)OCc3cccc(Cl)c3;c1cc(cc(c1)Cl)COC(=O)NC(CC2CCCCC2)C(=O)NC(CC3CCNC3=O)C(O)S","InChI=1S/C24H34ClN3O5S/c25-18-8-4-7-16(11-18)14-33-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)34)13-17-9-10-26-21(17)29/h4,7-8,11,15,17,19-20,23,31,34H,1-3,5-6,9-10,12-14H2,(H,26,29)(H,27,30)(H,28,32)/t17-,19-,20-,23-/m0/s1","","2023-08-10","2024-09-27","(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2024-08-14"],["K2Y","(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate","C6 H10 O16 P4","O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1O[P](O)(O)=O;c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)2-5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)","","2015-07-06","2018-09-26","(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate","2016-04-13"],["K2Z","benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate","C27 H45 N5 O5","O=C(OCc1ccccc1)NC(C(=O)NC(CC)C(O)C(=O)NCCCN2CCN(CC2)C)CC(C)C;CC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)NCCCN2CCN(C)CC2;CCC(C(C(=O)NCCCN1CCN(CC1)C)O)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2","InChI=1S/C27H45N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-24,33H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22-,23-,24-/m0/s1","","2007-12-08","2024-09-27","benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate (non-preferred name)",""],["K30","(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide","C25 H28 F3 N3 O2","FC4C(N(C(=O)N3CC(c1cc(F)ccc1F)=CC3(c2ccccc2)CO)C)CCN(C)C4;CN1CC[CH]([CH](F)C1)N(C)C(=O)N2CC(=C[C]2(CO)c3ccccc3)c4cc(F)ccc4F;CN1CCC(C(C1)F)N(C)C(=O)N2CC(=CC2(CO)c3ccccc3)c4cc(ccc4F)F","InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1","","2008-04-02","2011-06-04","(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide",""],["K31","2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline","C11 H13 N3","n2nc(c(c1ccccc1N)c2C)C;Cc1[nH]nc(C)c1c2ccccc2N;Cc1c(c(n[nH]1)C)c2ccccc2N","InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)","","2018-10-25","2018-12-14","2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline","2018-12-19"],["K32","4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE","C7 H2 Br4 N2 O","Brc1c2c(c(Br)c(Br)c1Br)NC(=O)N2;Brc1c(Br)c(Br)c2NC(=O)Nc2c1Br;c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2","InChI=1S/C7H2Br4N2O/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)","","2007-02-21","2011-06-04","4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazol-2-one",""],["K33","2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose","C26 H51 N O15 P2","O=P(O)(O)OC1CCC(O)C(COC2OC(CO)C(OP(=O)(O)O)C(O)C2NC(=O)CCCCCCCCCCCCC)O1;CCCCCCCCCCCCCC(=O)N[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](CO)O[CH]1OC[CH]2O[CH](CC[CH]2O)O[P](O)(O)=O;CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC2C(CCC(O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O","InChI=1S/C26H51NO15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(30)27-23-24(31)25(42-44(35,36)37)19(16-28)40-26(23)38-17-20-18(29)14-15-22(39-20)41-43(32,33)34/h18-20,22-26,28-29,31H,2-17H2,1H3,(H,27,30)(H2,32,33,34)(H2,35,36,37)/t18-,19+,20-,22+,23+,24-,25-,26-/m1/s1","","2022-02-02","2022-03-25","2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose","2022-03-30"],["K34","5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole","C5 H4 N4 S","n1c(ncn1)c2nccs2;[nH]1ncnc1c2sccn2;c1csc(n1)c2[nH]ncn2","InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)","","2018-10-25","2018-12-14","5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole","2018-12-19"],["K35","~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide","C12 H23 N O6","CCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;CCCCC(=O)NC1C(C(C(C(C1O)O)O)O)CO","InChI=1S/C12H23NO6/c1-2-3-4-7(15)13-8-6(5-14)9(16)11(18)12(19)10(8)17/h6,8-12,14,16-19H,2-5H2,1H3,(H,13,15)/t6-,8+,9+,10-,11-,12-/m0/s1","","2017-03-07","2024-09-27","~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide","2017-10-04"],["F8R","2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone","C28 H33 N7 O4 S","COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccccc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3;CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C","InChI=1S/C28H33N7O4S/c1-17(2)40(37,38)24-9-7-6-8-19(24)30-27-26-20(10-12-29-26)31-28(33-27)32-21-15-22-18(14-23(21)39-5)11-13-35(22)25(36)16-34(3)4/h6-10,12,14-15,17,29H,11,13,16H2,1-5H3,(H2,30,31,32,33)","","2020-04-15","2021-04-02","2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone","2021-04-07"],["F8S","2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid","C18 H16 N2 O6 S","c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C3=O)n4)C(O)=O)N;Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CC[S](=O)(=O)CC4;c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O","InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)","7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox","2018-03-15","2020-06-17","2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid","2018-12-05"],["F8T","[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium","C22 H25 N2 O","COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2;C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC","InChI=1S/C22H24N2O/c1-24(2)16-17-7-11-20(12-8-17)23-21-13-9-18(10-14-21)19-5-4-6-22(15-19)25-3/h4-15,23H,16H2,1-3H3/p+1","","2018-06-08","2019-02-01","[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium","2019-02-06"],["F8U","(2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid","C4 H10 O8 S2","O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O)=O;C(C(C(CS(=O)(=O)O)O)O)S(=O)(=O)O","InChI=1S/C4H10O8S2/c5-3(1-13(7,8)9)4(6)2-14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1","","2020-04-15","2020-11-27","(2~{R},3~{R})-2,3-bis(oxidanyl)butane-1,4-disulfonic acid","2020-12-02"],["F8V","(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide","C35 H35 F N8 O2 S","O=C(N1CCN(CC1)c2ccc(cc2)c3ncccn3)CN4CC(CC4)(SC)C(=O)Nc7cc6c(c5ccc(cc5)F)nnc6cc7;CS[C]1(CCN(CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(F)cc7)c6c5;CSC1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F","InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1","","2018-03-16","2018-05-18","(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide","2018-05-23"],["F8W","4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid","C34 H50 N6 O11","OC(=O)C(O)(CC(=O)NCCCCNCCCNC(=O)c1ccc(O)c(O)c1)CC(=O)NCCCCNCCCNC(=O)c2ccc(O)c(O)c2;c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O","InChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)","","2018-06-10","2018-08-10","4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid","2018-08-15"],["F8X","2-amino-2-deoxy-beta-D-altropyranuronic acid","C6 H11 N O6","NC1C(O)C(O)C(C(O)=O)OC1O;N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;C1(C(C(C(OC1O)C(=O)O)O)O)N","InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1","","2020-04-16","2020-11-13","2-amino-2-deoxy-beta-D-altropyranuronic acid","2020-11-18"],["F8Y","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C18 H17 F2 N5 O2","c1(c(c(cc(c1)Nc3nc2N(CC)C(C)C(=O)N(c2cn3)CC#C)F)O)F;CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12;CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1C)CC#C","InChI=1S/C18H17F2N5O2/c1-4-6-25-14-9-21-18(22-11-7-12(19)15(26)13(20)8-11)23-16(14)24(5-2)10(3)17(25)27/h1,7-10,26H,5-6H2,2-3H3,(H,21,22,23)/t10-/m1/s1","","2018-03-16","2018-03-23","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2018-03-28"],["F8Z","1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea","C32 H38 N4 O7","COc1ccc(NC(=O)Nc2ccc3O[CH](CN(C)Cc4ccc5OCOc5c4)[CH](C)CN([CH](C)CO)C(=O)c3c2)cc1;CC1CN(C(=O)c2cc(ccc2OC1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)C(C)CO","InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m0/s1","","2018-06-10","2019-05-10","1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea","2019-05-15"],["F90","4-chlorobenzyl carbamimidothioate","C8 H9 Cl N2 S","Clc1ccc(cc1)CSC(=[N@H])N;NC(=N)SCc1ccc(Cl)cc1;c1cc(ccc1CSC(=N)N)Cl","InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)","","2010-11-16","2011-10-28","4-chlorobenzyl carbamimidothioate",""],["F91","N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine","C14 H14 N2 O2","O1c2c(OCC1)cc(cc2)NCc3ccncc3;C1COc2cc(NCc3ccncc3)ccc2O1;c1cc2c(cc1NCc3ccncc3)OCCO2","InChI=1S/C14H14N2O2/c1-2-13-14(18-8-7-17-13)9-12(1)16-10-11-3-5-15-6-4-11/h1-6,9,16H,7-8,10H2","","2010-11-05","2011-10-28","N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine",""],["F92","4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol","C19 H20 F N5 O","Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[CH](O)CC4;c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F","InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)/t14-,15-","","2018-06-12","2018-06-15","4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol","2018-06-20"],["F93","(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid","C9 H10 Cl N O4","N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O;c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O","InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1","","2020-04-16","2024-09-27","(2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid","2020-11-18"],["F94","7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one","C15 H10 O4","O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3;Oc1ccc2C(=O)C=C(Oc2c1)c3cccc(O)c3;c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O","InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H","7,3-dihydroxyflavone","2012-10-23","2020-06-17","7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one","2012-10-26"],["F95","(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid","C11 H8 O6","O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2;OC(=O)CC1=CC(=O)Oc2c(O)c(O)ccc12;c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O","InChI=1S/C11H8O6/c12-7-2-1-6-5(3-8(13)14)4-9(15)17-11(6)10(7)16/h1-2,4,12,16H,3H2,(H,13,14)","","2013-03-08","2014-02-28","(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid","2014-03-05"],["F96","1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one","C21 H22 F N3 O2","O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c4cccc(F)c4;c1cc(cc(c1)F)c2ccc3c(c2)n(cn3)CC(=O)CC4C(CCCN4)O","InChI=1S/C21H22FN3O2/c22-16-4-1-3-14(9-16)15-6-7-18-20(10-15)25(13-24-18)12-17(26)11-19-21(27)5-2-8-23-19/h1,3-4,6-7,9-10,13,19,21,23,27H,2,5,8,11-12H2/t19-,21+/m1/s1","","2020-04-20","2023-06-30","1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one","2023-07-05"],["F97","N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine","C21 H26 F2 N8","c21cc(ncc1cnn2C(C)C)Nc4cc(nc(N3CCC(C3)(F)F)n4)C5CCNC5;CC(C)n1ncc2cnc(Nc3cc(nc(n3)N4CCC(F)(F)C4)[CH]5CCNC5)cc12;CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)C5CCNC5","InChI=1S/C21H26F2N8/c1-13(2)31-17-8-18(25-10-15(17)11-26-31)28-19-7-16(14-3-5-24-9-14)27-20(29-19)30-6-4-21(22,23)12-30/h7-8,10-11,13-14,24H,3-6,9,12H2,1-2H3,(H,25,27,28,29)/t14-/m1/s1","","2018-03-16","2018-12-14","N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine","2018-12-19"],["F98","3-[ethanoyl(hydroxy)amino]propylphosphonic acid","C5 H12 N O5 P","O=P(O)(O)CCCN(O)C(=O)C;CC(=O)N(O)CCC[P](O)(O)=O;CC(=O)N(CCCP(=O)(O)O)O","InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)","","2011-02-10","2011-08-05","{3-[acetyl(hydroxy)amino]propyl}phosphonic acid",""],["F99","1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one","C16 H20 Cl N3 O2","Cc1c(Cl)ccc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12;Cc1c(ccc2c1ncn2CC(=O)CC3C(CCCN3)O)Cl","InChI=1S/C16H20ClN3O2/c1-10-12(17)4-5-14-16(10)19-9-20(14)8-11(21)7-13-15(22)3-2-6-18-13/h4-5,9,13,15,18,22H,2-3,6-8H2,1H3/t13-,15+/m1/s1","","2020-04-20","2023-06-30","1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one","2023-07-05"],["F9A","N-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide","C17 H17 F3 N2 O","CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1;CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F","InChI=1S/C17H17F3N2O/c1-22(2)11-12-6-5-7-13(10-12)21-16(23)14-8-3-4-9-15(14)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)","","2010-02-22","2011-06-04","N-[3-(dimethylaminomethyl)phenyl]-2-(trifluoromethyl)benzamide",""],["F9B","2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol","C16 H21 N O4","OCC(CO)NC[CH](O)COc1cccc2ccccc12;c1ccc2c(c1)cccc2OCC(CNC(CO)CO)O","InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1","","2018-06-12","2018-10-05","2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol","2018-10-10"],["F9C","1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one","C15 H19 Br N4 O2","Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12;Cc1c(cnc2c1ncn2CC(=O)CC3C(CCCN3)O)Br","InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1","","2020-04-20","2023-06-30","1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one","2023-07-05"],["F9D","(2R)-2-aminopent-4-ynoic acid","C5 H7 N O2","C(=O)(O)C(N)CC#C;N[CH](CC#C)C(O)=O;C#CCC(C(=O)O)N","InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1","","2018-03-16","2024-09-27","(2R)-2-aminopent-4-ynoic acid","2019-03-06"],["F9E","[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate","C14 H22 N6 O5","CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C(=O)N=C(N)Nc12;CC(C)C(C(=O)OCC(CO)OCn1cnc2c1NC(=NC2=O)N)N","InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8-,9-/m0/s1","","2018-06-13","2019-01-25","[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate","2019-01-30"],["F9F","2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE","C9 H11 F3 N O7 P S","FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O;O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)F)cc1;c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O","InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)","N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9","2004-08-04","2020-06-17","2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate",""],["F9G","5-bromo-2-methoxyphenol","C7 H7 Br O2","c1(c(ccc(c1)Br)OC)O;COc1ccc(Br)cc1O;COc1ccc(cc1O)Br","InChI=1S/C7H7BrO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3","","2018-03-20","2019-03-15","5-bromo-2-methoxyphenol","2019-03-20"],["F9H","(3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide","C23 H20 F3 N7 O4","CC1(C)CN(C(=O)O1)C1(CN(C(=O)c2cccc(c2)C(F)(F)F)c2ccccc21)C(=O)Nc1nnn[NH]1;CC1(C)CN(C(=O)O1)[C]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5;CC1(CN(C(=O)O1)C2(CN(c3c2cccc3)C(=O)c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C","InChI=1S/C23H20F3N7O4/c1-21(2)11-33(20(36)37-21)22(18(35)27-19-28-30-31-29-19)12-32(16-9-4-3-8-15(16)22)17(34)13-6-5-7-14(10-13)23(24,25)26/h3-10H,11-12H2,1-2H3,(H2,27,28,29,30,31,35)/t22-/m1/s1","","2021-12-14","2022-07-01","(3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide","2022-07-06"],["F9I","(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid","C35 H49 N3 O23 S2","CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5ccccc5c4)C(O)=O)[CH]2O)[CH]1O;CC(=O)NC1C(CC(OC1C(C(CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC4C(C(OC(C4O)OC5C(OC(C(C5O)NC(=O)C)O)CO)COS(=O)(=O)O)O)O","InChI=1S/C35H49N3O23S2/c1-14(40)37-23-19(42)10-35(34(49)50,60-30(23)25(44)20(43)11-36-62(51,52)18-8-7-16-5-3-4-6-17(16)9-18)61-31-26(45)22(13-56-63(53,54)55)58-33(28(31)47)59-29-21(12-39)57-32(48)24(27(29)46)38-15(2)41/h3-9,19-33,36,39,42-48H,10-13H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,53,54,55)/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,35-/m0/s1","","2022-01-19","2023-01-13","(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid","2023-01-18"],["F9J","5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE","C18 H20 F2 N8 O2","Fc1cnc(nc1)C(Oc3nc(nc(N2CCOCC2)c3F)Nc4cc(nn4)C)C;C[CH](Oc1nc(Nc2[nH]nc(C)c2)nc(N3CCOCC3)c1F)c4ncc(F)cn4;Cc1cc([nH]n1)Nc2nc(c(c(n2)OC(C)c3ncc(cn3)F)F)N4CCOCC4","InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1","","2013-02-11","2014-09-05","5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-2-amine","2013-04-17"],["F9K","(1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE","C42 H51 F2 N7 O9 S","O=C1N(C)CCCC1C(=O)NC5C(=O)N4CC(OC(=O)N3Cc2cccc(F)c2C3)CC4C(=O)NC7(C(=O)NS(=O)(=O)c6cc(F)ccc6NCCCCCCC5)CC7C=C;CN1CCC[CH](C(=O)N[CH]2CCCCCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C]4(C[CH]4C=C)NC(=O)[CH]5C[CH](CN5C2=O)OC(=O)N6Cc7cccc(F)c7C6)C1=O;CN1CCCC(C1=O)C(=O)NC2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)C4(CC4C=C)NC(=O)C5CC(CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F","InChI=1S/C42H51F2N7O9S/c1-3-26-21-42(26)40(56)48-61(58,59)35-19-27(43)15-16-32(35)45-17-8-6-4-5-7-14-33(46-36(52)29-12-10-18-49(2)38(29)54)39(55)51-23-28(20-34(51)37(53)47-42)60-41(57)50-22-25-11-9-13-31(44)30(25)24-50/h3,9,11,13,15-16,19,26,28-29,33-34,45H,1,4-8,10,12,14,17-18,20-24H2,2H3,(H,46,52)(H,47,53)(H,48,56)/t26-,28-,29+,33+,34+,42-/m1/s1","","2011-11-23","2014-09-05","(1R,2S,2'R,6'S,24a'S)-2-ethenyl-17'-fluoro-6'-({[(3S)-1-methyl-2-oxopiperidin-3-yl]carbonyl}amino)-19',19'-dioxido-5',21',24'-trioxo-1',2',3',5',6',7',8',9',10',11',12',13',14',20',21',23',24',24a'-octadecahydrospiro[cyclopropane-1,22'-pyrrolo[2,1-g][1,2,5,8,18]benzothiatetraazacycloicosin]-2'-yl 4-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate",""],["F9M","[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone","C25 H23 F3 N8 O S2","Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2;Cc1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4C5CCC4CN(C5)c6ncc(cn6)C(F)(F)F","InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+","","2023-07-04","2024-05-03","[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone","2024-05-08"],["F9N","3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide","C23 H33 N7 O3 S","CN(C)CCCN[S](=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1;CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3","InChI=1S/C23H33N7O3S/c1-30(2)13-7-12-26-34(31,32)19-11-6-10-18(14-19)27-23-28-21-20(24-16-25-21)22(29-23)33-15-17-8-4-3-5-9-17/h6,10-11,14,16-17,26H,3-5,7-9,12-13,15H2,1-2H3,(H2,24,25,27,28,29)","","2018-06-15","2018-07-13","3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide","2018-07-18"],["F9O","(2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol","C15 H19 Cl2 N3 O","O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23;c1cc(c(c2c1n(cn2)CCCC3C(CCCN3)O)Cl)Cl","InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1","","2020-04-20","2023-06-30","(2~{R},3~{S})-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol","2023-07-05"],["F9P","N-hydroxycyclohexanecarboxamide","C7 H13 N O2","C1CCCCC1C(NO)=O;ONC(=O)C1CCCCC1;C1CCC(CC1)C(=O)NO","InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9)","cyclohexylhydroxamate","2018-03-22","2020-06-17","N-hydroxycyclohexanecarboxamide","2018-05-30"],["F9Q","6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine","C15 H11 Cl F N5","Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3;Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F","InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)","","2018-06-15","2019-06-21","6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine","2019-06-26"],["F9R","Digitoxin","C41 H64 O13","C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4;CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1","3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","2020-04-22","2021-03-13","3-[(3~{S},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-[(2~{R},4~{S},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one","2020-09-02"],["F9S","1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one","C25 H35 N O4","c1c(cccc1)CCCCOCCCCCCNCC(=O)c2cc(c(cc2)O)CO;OCc1cc(ccc1O)C(=O)CNCCCCCCOCCCCc2ccccc2;c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O","InChI=1S/C25H35NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,26-28H,1-2,6-9,12,15-17,19-20H2","","2018-03-22","2018-10-19","1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one","2018-10-24"],["F9T","6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol","C23 H25 N O4","CCCCCCc1ccc(Oc2ccc(Oc3cccc(O)n3)cc2)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O","InChI=1S/C23H25NO4/c1-2-3-4-5-7-17-10-15-21(20(25)16-17)27-18-11-13-19(14-12-18)28-23-9-6-8-22(26)24-23/h6,8-16,25H,2-5,7H2,1H3,(H,24,26)","","2018-06-15","2021-03-19","6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol","2021-03-24"],["F9U","(3Z,5R,8R,9S,10R,13S,14R)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione","C21 H32 N2 O3","C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN;CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C","InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15+,16-,17-,20+,21-/m0/s1","","2020-04-22","2020-08-28","(3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{R})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione","2020-09-02"],["F9V","(2S)-2-phenylbutanedioic acid","C10 H10 O4","O=C(O)C(c1ccccc1)CC(=O)O;OC(=O)C[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(CC(=O)O)C(=O)O","InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m0/s1","","2014-07-23","2024-09-27","(2S)-2-phenylbutanedioic acid","2014-08-20"],["F9W","(1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol","C13 H14 F2 O5","OCC1=C[CH](Oc2cc(F)cc(F)c2)[CH](O)[CH](O)[CH]1O;c1c(cc(cc1F)F)OC2C=C(C(C(C2O)O)O)CO","InChI=1S/C13H14F2O5/c14-7-2-8(15)4-9(3-7)20-10-1-6(5-16)11(17)13(19)12(10)18/h1-4,10-13,16-19H,5H2/t10-,11-,12-,13-/m0/s1","","2018-06-18","2018-08-17","(1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol","2018-08-22"],["F9X","(2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid","C13 H21 N2 O8 P","CC[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCC(C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O","InChI=1S/C13H21N2O8P/c1-3-10(16)11(13(18)19)15-5-9-8(6-23-24(20,21)22)4-14-7(2)12(9)17/h4,10-11,15-17H,3,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/t10-,11+/m1/s1","","2020-04-22","2021-04-16","(2~{S},3~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid","2021-04-21"],["F9Y","1H-indole-6-carbonitrile","C9 H6 N2","C(c2ccc1ccnc1c2)#N;N#Cc1ccc2cc[nH]c2c1;c1cc(cc2c1cc[nH]2)C#N","InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H","","2018-03-22","2018-08-17","1H-indole-6-carbonitrile","2018-08-22"],["F9Z","2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one","C21 H20 Cl N O5","CN1CC[CH]([CH](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl;CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O","InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17-/m0/s1","","2018-06-19","2018-11-30","2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one","2018-12-05"],["FA","FOLIC ACID","C19 H19 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O;NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N","InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/f/h24-25,27,31H,20H2","","1999-07-08","2008-10-14","N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",""],["FA0","2-amino-4-fluorobenzoic acid","C7 H6 F N O2","O=C(O)c1ccc(F)cc1N;Nc1cc(F)ccc1C(O)=O;c1cc(c(cc1F)N)C(=O)O","InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)","","2013-11-15","2014-04-18","2-amino-4-fluorobenzoic acid","2014-04-23"],["FA1","2,3 -ANHYDRO-QUINIC ACID","C7 H10 O5","O=C(O)C1(O)C=CC(O)C(O)C1;O[CH]1C[C](O)(C=C[CH]1O)C(O)=O;C1C(C(C=CC1(C(=O)O)O)O)O","InChI=1S/C7H10O5/c8-4-1-2-7(12,6(10)11)3-5(4)9/h1-2,4-5,8-9,12H,3H2,(H,10,11)/t4-,5-,7+/m1/s1","","2002-01-22","2011-06-04","(1R,4R,5R)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid",""],["FA2","5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE","C9 H12 N5 O6 P","O=P(O)(O)OC3COC(n2cnc1c(ncnc12)N)C3O;Nc1ncnc2n(cnc12)[CH]3OC[CH](O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(CO3)OP(=O)(O)O)O)N","InChI=1S/C9H12N5O6P/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(15)4(1-19-9)20-21(16,17)18/h2-4,6,9,15H,1H2,(H2,10,11,12)(H2,16,17,18)/t4-,6+,9+/m0/s1","","2003-07-09","2011-06-04","(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate",""],["FA3","2-ANHYDRO-3-FLUORO-QUINIC ACID","C7 H9 F O5","FC1=CC(O)(C(=O)O)CC(O)C1O;O[CH]1C[C](O)(C=C(F)[CH]1O)C(O)=O;C1C(C(C(=CC1(C(=O)O)O)F)O)O","InChI=1S/C7H9FO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h1,4-5,9-10,13H,2H2,(H,11,12)/t4-,5-,7+/m1/s1","","2004-04-16","2011-06-04","(1R,4S,5R)-3-fluoro-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid",""],["FA4","SM-25453","C24 H42 N6 O3","O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN;NCCCC[CH](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO;[H]N=C(N)NCc1ccccc1CCCCCCCCCC(=O)NC(CCCCN)C(=O)NO","InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1","(2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE; GUANIDINOMETHYLBENZIL D-LYSINE HYDROXAMATE","2005-09-28","2020-05-27","N-[(1R)-5-amino-1-(hydroxycarbamoyl)pentyl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide",""],["FA5","ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]","C19 H23 N6 O8 P","O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccccc4;N[CH](Cc1ccccc1)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1ccc(cc1)CC(C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(28)33-34(29,30)31-7-12-14(26)15(27)18(32-12)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26-27H,6-7,20H2,(H,29,30)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1","","2001-07-20","2011-06-04","5'-O-[(S)-{[(2S)-2-amino-3-phenylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["FA6","3-HYDROXYIMINO QUINIC ACID","C7 H11 N O6","O=C(O)C1(O)CC(=NO)/C(O)C(O)C1;ON=C1C[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(=NO)CC1(C(=O)O)O)O)O","InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1","","2002-06-27","2011-06-04","(1S,3R,4R,5E)-1,3,4-trihydroxy-5-(hydroxyimino)cyclohexanecarboxylic acid",""],["FA7","(2Z,4E)-7-methylocta-2,4-dienoic acid","C9 H14 O2","O=C(O)/C=CC=CCC(C)C;CC(C)CC=CC=CC(O)=O;CC(C)CC=CC=CC(=O)O","InChI=1S/C9H14O2/c1-8(2)6-4-3-5-7-9(10)11/h3-5,7-8H,6H2,1-2H3,(H,10,11)/b4-3+,7-5-","","2010-09-08","2011-06-04","(2Z,4E)-7-methylocta-2,4-dienoic acid",""],["FA8","[[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE","C27 H35 N9 O15 P2","O=C2NC(=O)N=C3N(c1cc(c(cc1NC23)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O;Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,18-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1","","2010-04-23","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FA9","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C36 H43 N9 O16 P2","O=C4N2c1cc(c(cc1N(C5NC(=O)NC(=O)C25C(c3ccccc3)C4)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O)C)C;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH]6NC(=O)NC(=O)[C]67[CH](CC(=O)N7c2cc1C)c8ccccc8;Cc1cc2c(cc1C)N3C(=O)CC(C34C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8","InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-24,27-29,32-33,46-47,49-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t19-,22+,23-,24-,27+,28-,29-,32-,33-,36+/m1/s1","","2007-03-30","2013-03-19","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FAA","N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE","C34 H39 N9 O16 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc7)c2cc1C;Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O","InChI=1S/C34H39N9O16P2/c1-15-7-19-20(8-16(15)2)42(31-25(32(50)40-34(51)39-31)41(19)9-17-3-5-18(44)6-4-17)10-21(45)26(47)22(46)11-56-60(52,53)59-61(54,55)57-12-23-27(48)28(49)33(58-23)43-14-38-24-29(35)36-13-37-30(24)43/h3-8,13-14,21-23,26-28,33,45-49H,9-12H2,1-2H3,(H5-,35,36,37,40,44,50,51,52,53,54,55)/t21-,22+,23+,26-,27+,28+,33+/m0/s1","","1999-07-08","2024-09-27","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[(4-hydroxyphenyl)methyl]-7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl]pentyl] phosphate",""],["FAB","FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE","C31 H39 N9 O16 P2","CC(C)C(=O)[N+]1=C2C(=O)NC(=O)N=C2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c6cc(C)c(C)cc16;Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C","InChI=1S/C31H39N9O16P2/c1-12(2)29(47)40-16-6-14(4)13(3)5-15(16)38(27-21(40)28(46)37-31(48)36-27)7-17(41)22(43)18(42)8-53-57(49,50)56-58(51,52)54-9-19-23(44)24(45)30(55-19)39-11-35-20-25(32)33-10-34-26(20)39/h5-6,10-12,17-19,22-24,30,41-45H,7-9H2,1-4H3,(H4-,32,33,34,37,46,48,49,50,51,52)/t17-,18+,19+,22-,23+,24+,30+/m0/s1","","1999-07-08","2012-01-05","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-5-(2-methylpropanoyl)-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl]-2,3,4-trihydroxy-pentyl] phosphate",""],["FAC","1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL","C3 H2 F6 O2","FC(F)(F)C(O)(O)C(F)(F)F;OC(O)(C(F)(F)F)C(F)(F)F;C(C(F)(F)F)(C(F)(F)F)(O)O","InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H","HEXAFLUOROACETONE HYDRATE","1999-07-08","2021-03-01","1,1,1,3,3,3-hexafluoropropane-2,2-diol",""],["FAD","FLAVIN-ADENINE DINUCLEOTIDE","C27 H33 N9 O15 P2","O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1","","1999-07-08","2026-04-09","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FAE","FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE","C27 H34 N9 O15 P2","O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5c[nH+]c4c(ncnc45)N)C(O)C6O)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[nH+]c6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/p+1/t14-,15+,16+,19-,20+,21+,26+/m0/s1","","2002-10-16","2011-06-04","6-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-9H-purin-7-ium (non-preferred name)",""],["FAF","2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE","C17 H24 N2 O3","O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C;CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C=O;CC(C)CC(C(=O)NC(Cc1ccccc1)C=O)NC(=O)C","InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1","","2000-08-30","2024-09-27","N~2~-acetyl-N-[(1S)-1-benzyl-2-oxoethyl]-L-leucinamide",""],["FAG","[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP","C27 H28 N5 O15 P","O=P(O)(O)OCC7OC(NC=1N=C(N)NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3c(OC(=O)C=2C(=O)CCC=23)c4C6C5O)CC7O;COc1cc2O[CH]3O[CH]([CH](O)[CH]3c2c4OC(=O)C5=C(CCC5=O)c14)N(C=O)C6=C(N[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)N=C(N)NC6=O;COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(C(OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O7)COP(=O)(O)O)O)O","InChI=1S/C27H28N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h5,7,10,13-14,18,20,24,26,35-36H,2-4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1","","1999-07-08","2011-06-04","N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",""],["FAH","fluoroacetic acid","C2 H3 F O2","FCC(=O)O;OC(=O)CF;C(C(=O)O)F","InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)","","2010-03-17","2011-06-04","fluoroacetic acid",""],["FAI","5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide","C10 H15 N4 O9 P","O=CNc1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N;NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N","InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1","","2007-09-12","2011-06-04","5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide",""],["FAJ","FAD-trans-2-Phenylcyclopropylamine Adduct","C36 H43 N9 O16 P2","O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8ccccc8;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O","InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-25,27-29,32,46-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H,42,52,53)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1","FAD-PCPA Adduct","2013-03-15","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2013-03-27"],["FAK","N~6~-(trifluoroacetyl)-L-lysine","C8 H13 F3 N2 O3","O=C(O)C(N)CCCCNC(=O)C(F)(F)F;N[CH](CCCCNC(=O)C(F)(F)F)C(O)=O;C(CCNC(=O)C(F)(F)F)CC(C(=O)O)N","InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1","","2013-06-13","2024-09-27","N~6~-(trifluoroacetyl)-L-lysine","2014-02-19"],["FAL","(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","C21 H23 Cl2 N5 O2","Clc1cc(c(Cl)cc1)Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3;CN(C)C[CH](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1;CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O","InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1","","2002-06-10","2011-06-04","(2R)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol",""],["FAM","ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX","C23 H38 F N8 O17 P3","O=C(N)C(F)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCC[CH](F)C(N)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCC(C(=O)N)F)O","InChI=1S/C23H38FN8O17P3/c1-23(2,17(35)21(37)28-6-4-13(33)27-5-3-11(24)19(26)36)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(34)22(47-12)32-10-31-14-18(25)29-9-30-20(14)32/h9-12,15-17,22,34-35H,3-8H2,1-2H3,(H2,26,36)(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)/t11-,12-,15-,16-,17+,22-/m1/s1","","1999-07-08","2012-06-22","(3R)-4-[(3-{[(3R)-4-amino-3-fluoro-4-oxobutyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["FAN","FORMANILIDE","C7 H7 N O","O=CNc1ccccc1;O=CNc1ccccc1;c1ccc(cc1)NC=O","InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)","","1999-07-08","2011-06-04","N-phenylformamide",""],["FAO","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C27 H37 N9 O15 P2","O=C2NC(=O)NC3N(c1cc(c(cc1NC23)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O;Cc1cc2N[CH]3[CH](NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H37N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,18-21,24,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,18-,19-,20+,21+,24+,26+/m0/s1","","2006-12-13","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FAP","(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","C21 H23 F2 N5 O2","Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3;CN(C)C[CH](O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1;CN(C)CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O","InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1","","2002-06-10","2011-06-04","(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol",""],["FAQ","Phenylacetyl coenzyme A","C29 H42 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)Cc4ccccc4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O","InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1","","2010-12-03","2011-06-04","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} phenylethanethioate (non-preferred name)",""],["FAR","FARNESYL","C15 H26","C(=C/C)(CC/C=C(/CC/C=C(C)C)C)C;CC=C(C)CCC=C(C)CCC=C(C)C;CC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+","","1999-07-08","2024-09-27","(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene",""],["FAS","ARABINO-FLAVIN-ADENINE DINUCLEOTIDE","C27 H33 N9 O15 P2","O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15-,16-,19+,20-,21-,26-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FAT","1-HEXYLDECANOIC ACID","C16 H32 O2","O=C(O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCC(=O)O","InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/f/h17H","","1999-07-08","2008-10-14","hexadecanoic acid",""],["FAV","N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide","C19 H14 Cl N O2 S","Clc1ccccc1N(C(=O)c3sc2c4ccccc4OCc2c3)C;CN(C(=O)c1sc2c(COc3ccccc23)c1)c4ccccc4Cl;CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3","InChI=1S/C19H14ClNO2S/c1-21(15-8-4-3-7-14(15)20)19(22)17-10-12-11-23-16-9-5-2-6-13(16)18(12)24-17/h2-10H,11H2,1H3","","2011-04-12","2011-07-29","N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide",""],["FAW","(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate","C31 H60 O5","O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC","InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1","","2015-04-14","2024-09-27","(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate","2018-01-03"],["FAX","[(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate","C11 H18 N5 O6 P","O=P(O)(O)OCC2CC(Nc1ncnc(N)c1NC=O)CC2O;Nc1ncnc(N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)c1NC=O;c1nc(c(c(n1)NC2CC(C(C2)O)COP(=O)(O)O)NC=O)N","InChI=1S/C11H18N5O6P/c12-10-9(15-5-17)11(14-4-13-10)16-7-1-6(8(18)2-7)3-22-23(19,20)21/h4-8,18H,1-3H2,(H,15,17)(H2,19,20,21)(H3,12,13,14,16)/t6-,7-,8+/m1/s1","","2012-09-06","2013-04-12","[(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate","2013-04-17"],["FAY","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl\n(2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen\ndiphosphate","C27 H31 N9 O16 P2","O=Cc2c(cc3N=C1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C=O;Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H31N9O16P2/c1-10-2-12-13(3-11(10)5-37)35(24-18(32-12)25(43)34-27(44)33-24)4-14(38)19(40)15(39)6-49-53(45,46)52-54(47,48)50-7-16-20(41)21(42)26(51-16)36-9-31-17-22(28)29-8-30-23(17)36/h2-3,5,8-9,14-16,19-21,26,38-42H,4,6-7H2,1H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t14-,15+,16+,19-,20+,21+,26+/m0/s1","8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE","2011-06-02","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FAZ","8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide","C22 H19 Cl N2 O3 S","Clc1ccccc1N(C(=O)c3sc2c4ccc(NC(=O)C)cc4OCCc2c3)C;CN(C(=O)c1sc2c(CCOc3cc(NC(C)=O)ccc23)c1)c4ccccc4Cl;CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl","InChI=1S/C22H19ClN2O3S/c1-13(26)24-15-7-8-16-19(12-15)28-10-9-14-11-20(29-21(14)16)22(27)25(2)18-6-4-3-5-17(18)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)","","2011-04-12","2011-07-29","8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide",""],["FB","5A-FORMYLBICYCLOMYCIN","C13 H18 N2 O8","O=C2NC1(OCCC(=CC=O)C2(O)NC1=O)C(O)C(O)(C)CO;C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(CCO2)=CC=O;CC(CO)(C(C12C(=O)NC(C(=CC=O)CCO1)(C(=O)N2)O)O)O","InChI=1S/C13H18N2O8/c1-11(21,6-17)8(18)13-10(20)14-12(22,9(19)15-13)7(2-4-16)3-5-23-13/h2,4,8,17-18,21-22H,3,5-6H2,1H3,(H,14,20)(H,15,19)/b7-2-/t8-,11-,12+,13-/m0/s1","","2004-10-21","2011-06-04","(2Z)-{(1S,6R)-6-hydroxy-8,10-dioxo-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]dec-5-ylidene}ethanal",""],["FB0","(2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C27 H49 N9 O15 P2","O=C(NC(=O)NCN(CCC(C)C(C)CCN)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C;C[CH](CCN)[CH](C)CCN(CNC(=O)NC(C)=O)C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(CCN)C(C)CCN(CC(C(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C","InChI=1S/C27H49N9O15P2/c1-14(4-6-28)15(2)5-7-35(12-33-27(43)34-16(3)37)8-17(38)21(40)18(39)9-48-52(44,45)51-53(46,47)49-10-19-22(41)23(42)26(50-19)36-13-32-20-24(29)30-11-31-25(20)36/h11,13-15,17-19,21-23,26,38-42H,4-10,12,28H2,1-3H3,(H,44,45)(H,46,47)(H2,29,30,31)(H2,33,34,37,43)/t14-,15+,17+,18-,19-,21+,22-,23-,26-/m1/s1","","2010-08-13","2011-06-04","(2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["FB1","2-CHLOROBENZENESULFONAMIDE","C6 H6 Cl N O2 S","O=S(=O)(c1ccccc1Cl)N;N[S](=O)(=O)c1ccccc1Cl;c1ccc(c(c1)S(=O)(=O)N)Cl","InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)","","2009-03-31","2011-06-04","2-chlorobenzenesulfonamide",""],["FB2","benzenesulfonamide","C6 H7 N O2 S","O=S(=O)(N)c1ccccc1;N[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)N","InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)","","2009-03-31","2011-06-04","benzenesulfonamide",""],["FB4","2-(2-amino-4-chlorophenoxy)-5-chlorophenol","C12 H9 Cl2 N O2","Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2O;c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl","InChI=1S/C12H9Cl2NO2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H,15H2","","2010-02-25","2011-06-04","2-(2-azanyl-4-chloro-phenoxy)-5-chloro-phenol",""],["FB5","2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine","C7 H14 B F2 N O4","FC(F)C(N)(C(=O)O)CCCCB(O)O;N[C](CCCCB(O)O)(C(F)F)C(O)=O;B(CCCCC(C(F)F)(C(=O)O)N)(O)O","InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)/t7-/m1/s1","","2011-06-27","2011-07-15","2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine",""],["FB6","6-(dihydroxyboranyl)-2-methyl-L-norleucine","C7 H16 B N O4","O=C(O)C(N)(CCCCB(O)O)C;C[C](N)(CCCCB(O)O)C(O)=O;B(CCCCC(C)(C(=O)O)N)(O)O","InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1","","2011-06-27","2011-07-15","6-(dihydroxyboranyl)-2-methyl-L-norleucine",""],["FB7","5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine","C19 H22 F3 N5 O2","Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3)N4CCOCC4)C(F)(F)F;c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N","InChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24)","MBT147","2016-10-27","2020-06-17","5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine","2017-02-22"],["FB8","4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine","C18 H21 N5 O2 S","CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)[S](C)(=O)=O)n2;Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C","InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)","","2018-06-19","2018-11-30","4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine","2018-12-05"],["FB9","(3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide","C34 H37 N3 O5","COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12)C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6;COCC1C(C2N1CC(C(CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6","InChI=1S/C34H37N3O5/c1-41-22-30-33(25-11-9-24(10-12-25)8-7-23-5-3-2-4-6-23)29-19-36(20-31(38)32(39)21-37(29)30)34(40)35-26-13-15-27(16-14-26)42-28-17-18-28/h2-6,9-16,28-33,38-39H,17-22H2,1H3,(H,35,40)/t29-,30+,31+,32-,33+/m0/s1","","2020-04-27","2020-10-30","(3~{S},4~{R},8~{R},9~{R},10~{S})-~{N}-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide","2020-11-04"],["FBA","4-FLUOROBENZYLAMINE","C7 H9 F N","Fc1ccc(cc1)C[NH3+];[NH3+]Cc1ccc(F)cc1;c1cc(ccc1C[NH3+])F","InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1","","1999-07-08","2011-06-04","(4-fluorophenyl)methanaminium",""],["FBB","6-fluoro-1,3-benzothiazol-2-amine","C7 H5 F N2 S","Fc1ccc2nc(sc2c1)N;Nc1sc2cc(F)ccc2n1;c1cc2c(cc1F)sc(n2)N","InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)","","2012-03-28","2013-01-25","6-fluoro-1,3-benzothiazol-2-amine","2013-01-25"],["FBC","3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID","C13 H8 F2 O2","Fc2cc(c1ccc(C(=O)O)cc1)cc(F)c2;OC(=O)c1ccc(cc1)c2cc(F)cc(F)c2;c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O","InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)","","2005-10-13","2011-06-04","3',5'-difluorobiphenyl-4-carboxylic acid",""],["FBD","N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid","C16 H19 F N2 O7 S","Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CSCc1ccc(F)cc1)C(O)=O)C(O)=O;c1cc(ccc1CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F","InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1","(S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid","2008-06-05","2021-03-01","N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid",""],["FBE","(3E)-5-aminopent-3-enoic acid","C5 H9 N O2","O=C(O)C/C=C/CN;NCC=CCC(O)=O;C(C=CCN)C(=O)O","InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1-2H,3-4,6H2,(H,7,8)/b2-1+","","1999-07-08","2024-09-27","(3E)-5-aminopent-3-enoic acid",""],["FBF","4-(trifluoromethyl)benzenecarboximidamide","C8 H7 F3 N2","FC(F)(F)c1ccc(C(=[N@H])N)cc1;NC(=N)c1ccc(cc1)C(F)(F)F;c1cc(ccc1C(=N)N)C(F)(F)F","InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)","","2010-10-26","2011-10-14","4-(trifluoromethyl)benzenecarboximidamide",""],["FBG","6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid","C9 H7 F O4","O=C(O)c2cc(F)cc1c2OCOC1;OC(=O)c1cc(F)cc2COCOc12;c1c(cc(c2c1COCO2)C(=O)O)F","InChI=1S/C9H7FO4/c10-6-1-5-3-13-4-14-8(5)7(2-6)9(11)12/h1-2H,3-4H2,(H,11,12)","","2012-03-28","2013-01-25","6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid","2013-01-25"],["FBI","7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID","C22 H30 F N3 O6 S","O=S(=O)(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O)c2ccc(F)cc2)C)C;CC(C)c1nc(nc(c2ccc(F)cc2)c1CC[CH](O)C[CH](O)CC(O)=O)N(C)[S](C)(=O)=O;CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C22H30FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-8,13,16-17,27-28H,9-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1","ROSUVASTATIN","2001-01-17","2021-03-01","(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid",""],["FBJ","N-hydroxycyclopent-1-ene-1-carboxamide","C6 H9 N O2","C(=O)(C1=CCCC1)NO;ONC(=O)C1=CCCC1;C1CC=C(C1)C(=O)NO","InChI=1S/C6H9NO2/c8-6(7-9)5-3-1-2-4-5/h3,9H,1-2,4H2,(H,7,8)","cyclopentenylhydroxamate","2018-03-22","2021-03-01","N-hydroxycyclopent-1-ene-1-carboxamide","2018-05-30"],["FBK","3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid","C18 H13 N O3","Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O;c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O","InChI=1S/C18H13NO3/c20-15-7-2-5-13(11-15)17-9-3-8-16(19-17)12-4-1-6-14(10-12)18(21)22/h1-11,20H,(H,21,22)","","2018-06-19","2019-09-06","3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid","2019-09-11"],["FBL","(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","C21 H23 Cl2 N5 O2","Clc1cc(c(Cl)cc1)Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3;CN(C)C[CH](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1;CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O","InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1","","2002-06-10","2011-06-04","(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol",""],["FBM","N-hydroxycyclohex-1-ene-1-carboxamide","C7 H11 N O2","C1C(C(=O)NO)=CCCC1;ONC(=O)C1=CCCCC1;C1CCC(=CC1)C(=O)NO","InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)","cyclohexenylhydroxamate","2018-03-22","2020-06-17","N-hydroxycyclohex-1-ene-1-carboxamide","2018-05-30"],["FBN","5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine","C20 H20 N10 O8","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NCc2nnn(c2)CC5OC(n4cnc3c(ncnc34)N)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](Cn4cc(CNC(=O)c5cc(cc(O)c5O)[N+]([O-])=O)nn4)[CH](O)[CH]3O;c1c(cc(c(c1C(=O)NCc2cn(nn2)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-]","InChI=1S/C20H20N10O8/c21-17-13-18(24-6-23-17)29(7-25-13)20-16(34)15(33)12(38-20)5-28-4-8(26-27-28)3-22-19(35)10-1-9(30(36)37)2-11(31)14(10)32/h1-2,4,6-7,12,15-16,20,31-34H,3,5H2,(H,22,35)(H2,21,23,24)/t12-,15-,16-,20-/m1/s1","N-[(1-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihy\ndroxy-5-nitrobenzamide","2009-09-30","2020-06-17","5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine",""],["FBO","L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide","C23 H30 N4 O5","O=C(NO)C(NC(=O)C(N)Cc1ccccc1)CCCCNC(=O)OCc2ccccc2;N[CH](Cc1ccccc1)C(=O)N[CH](CCCCNC(=O)OCc2ccccc2)C(=O)NO;c1ccc(cc1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)NO)N","InChI=1S/C23H30N4O5/c24-19(15-17-9-3-1-4-10-17)21(28)26-20(22(29)27-31)13-7-8-14-25-23(30)32-16-18-11-5-2-6-12-18/h1-6,9-12,19-20,31H,7-8,13-16,24H2,(H,25,30)(H,26,28)(H,27,29)/t19-,20-/m0/s1","","2011-01-24","2011-07-22","L-phenylalanyl-N~6~-[(benzyloxy)carbonyl]-N-hydroxy-L-lysinamide",""],["FBP","1,6-di-O-phosphono-beta-D-fructofuranose","C6 H14 O12 P2","O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O;O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1","BETA-FRUCTOSE-1,6-DIPHOSPHATE; FRUCTOSE-1,6-BISPHOSPHATE; 1,6-di-O-phosphono-beta-D-fructose;\n1,6-di-O-phosphono-D-fructose; 1,6-di-O-phosphono-fructose","1999-07-08","2020-07-17","1,6-di-O-phosphono-beta-D-fructofuranose",""],["FBQ","1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL","C20 H18 F4 N2 O2 S","FC(F)(F)C(O)(O)c1cccc(c1)CSCc2c(c3c(F)cccc3nc2C)N;Cc1nc2cccc(F)c2c(N)c1CSCc3cccc(c3)C(O)(O)C(F)(F)F;Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O","InChI=1S/C20H18F4N2O2S/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)","4-AMINO-5-FLUORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLTHIOMETHYL)QUINOLINE","2001-04-24","2024-09-27","1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol",""],["FBR","(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one","C17 H19 Br O2","O=C3C(Br)=C2c1c(cc(O)cc1)CC2(CCCC)CC3;CCCC[C]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br;CCCCC12CCC(=O)C(=C1c3ccc(cc3C2)O)Br","InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1","","2006-04-06","2011-06-04","(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one",""],["FBS","4-FLUOROBENZENESULFONAMIDE","C6 H6 F N O2 S","c1(ccc(cc1)S(=O)(=O)N)F;N[S](=O)(=O)c1ccc(F)cc1;c1cc(ccc1F)S(=O)(=O)N","InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)","","2001-04-13","2018-04-18","4-fluorobenzene-1-sulfonamide",""],["FBT","2,6-DIFLUOROBENZENESULFONAMIDE","C6 H5 F2 N O2 S","O=S(=O)(c1c(F)cccc1F)N;N[S](=O)(=O)c1c(F)cccc1F;c1cc(c(c(c1)F)S(=O)(=O)N)F","InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11)","","2001-04-16","2011-06-04","2,6-difluorobenzenesulfonamide",""],["FBU","3,5-DIFLUOROBENZENESULFONAMIDE","C6 H5 F2 N O2 S","Fc1cc(cc(F)c1)S(=O)(=O)N;N[S](=O)(=O)c1cc(F)cc(F)c1;c1c(cc(cc1F)S(=O)(=O)N)F","InChI=1S/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)","","2001-04-16","2011-06-04","3,5-difluorobenzenesulfonamide",""],["FBV","2-fluorobenzenesulfonamide","C6 H6 F N O2 S","O=S(=O)(c1ccccc1F)N;N[S](=O)(=O)c1ccccc1F;c1ccc(c(c1)F)S(=O)(=O)N","InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)","","2009-03-31","2011-06-04","2-fluorobenzenesulfonamide",""],["FBW","3-fluorobenzenesulfonamide","C6 H6 F N O2 S","O=S(=O)(c1cc(F)ccc1)N;N[S](=O)(=O)c1cccc(F)c1;c1cc(cc(c1)S(=O)(=O)N)F","InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)","","2009-04-01","2011-06-04","3-fluorobenzenesulfonamide",""],["FBX","ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate","C16 H18 F N3 O2","CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N;CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F","InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)","Retigabine, Ezogabine","2020-04-27","2020-11-05","ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate","2020-09-16"],["FBY","(7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one","C18 H21 F2 N5 O2","c3(F)cc(Nc1nc2c(cn1)N(C(=O)C(C)N2C)CCCC)cc(c3O)F;CCCCN1C(=O)[CH](C)N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc12;CCCCN1c2cnc(nc2N(C(C1=O)C)C)Nc3cc(c(c(c3)F)O)F","InChI=1S/C18H21F2N5O2/c1-4-5-6-25-14-9-21-18(23-16(14)24(3)10(2)17(25)27)22-11-7-12(19)15(26)13(20)8-11/h7-10,26H,4-6H2,1-3H3,(H,21,22,23)/t10-/m1/s1","","2018-03-22","2018-03-29","(7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one","2018-04-04"],["FBZ","(3S)-3-phenylbutanoic acid","C10 H12 O2","O=C(O)CC(c1ccccc1)C;C[CH](CC(O)=O)c1ccccc1;CC(CC(=O)O)c1ccccc1","InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1","","2010-11-15","2011-06-04","(3S)-3-phenylbutanoic acid",""],["FC0","N-CARBOXY-L-PHENYLALANINE","C10 H11 N O4","O=C(O)C(NC(=O)O)Cc1ccccc1;OC(=O)N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)O","InChI=1S/C10H11NO4/c12-9(13)8(11-10(14)15)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H,14,15)/t8-/m0/s1","","2010-05-11","2024-09-27","N-carboxy-L-phenylalanine",""],["FC1","THIOCOUMARIN","C14 H17 N O2 S","O=C2Sc1ccccc1C(OCCCN(C)C)=C2;CN(C)CCCOC1=CC(=O)Sc2ccccc12;CN(C)CCCOC1=CC(=O)Sc2c1cccc2","InChI=1S/C14H17NO2S/c1-15(2)8-5-9-17-12-10-14(16)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3","","2005-01-12","2011-06-04","4-[3-(dimethylamino)propoxy]-2H-thiochromen-2-one",""],["FC2","5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID","C11 H6 Cl2 O3","O=C(O)c2oc(c1c(Cl)ccc(Cl)c1)cc2;OC(=O)c1oc(cc1)c2cc(Cl)ccc2Cl;c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl","InChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)","","2005-11-04","2011-06-04","5-(2,5-dichlorophenyl)furan-2-carboxylic acid",""],["FC3","5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID","C12 H7 F3 O3","O=C(O)c2oc(c1c(cccc1)C(F)(F)F)cc2;OC(=O)c1oc(cc1)c2ccccc2C(F)(F)F;c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F","InChI=1S/C12H7F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)","","2005-11-04","2011-06-04","5-[2-(trifluoromethyl)phenyl]furan-2-carboxylic acid",""],["FC4","(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide","C20 H16 Cl N5 O4 S2","c1cc(Cl)ccc1C2=C(C(=O)NC(=N2)SC(C)C(=O)Nc3ccc(cc3)S(=O)(=O)N)C#N;C[CH](SC1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)[S](N)(=O)=O;CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl","InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/t11-/m1/s1","","2016-04-11","2016-06-24","(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide","2016-06-29"],["FC5","6-hydroxy-2H-chromene-2-thione","C9 H6 O2 S","S=C2Oc1ccc(O)cc1C=C2;Oc1ccc2OC(=S)C=Cc2c1;c1cc2c(cc1O)C=CC(=S)O2","InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H","","2014-10-07","2015-10-09","6-hydroxy-2H-chromene-2-thione","2015-10-14"],["FC6","HEXACYANOFERRATE(3-)","C6 Fe N6","N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N;N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N;C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N","InChI=1S/6CN.Fe/c6*1-2;","FERRI(III)HEXACYANIDE","2006-10-19","2021-03-01","hexakis(cyano-kappaC)iron",""],["FC7","Fusicoccin A-THF","C32 H50 O9","O5C(OC4C2=C(C(C)C)C1CCOC1C2(C=C3C(COC)CCC3C(C)C4O)C)C(O)C(O)C6OC(OCC56)(C)C;COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C(C)C)[CH]6CCO[CH]6[C]5(C)C=C12;CC1C2CCC(C2=CC3(C4C(CCO4)C(=C3C(C1O)OC5C(C(C6C(O5)COC(O6)(C)C)O)O)C(C)C)C)COC","InChI=1S/C32H50O9/c1-15(2)22-19-10-11-37-29(19)32(6)12-20-17(13-36-7)8-9-18(20)16(3)24(33)28(23(22)32)40-30-26(35)25(34)27-21(39-30)14-38-31(4,5)41-27/h12,15-19,21,24-30,33-35H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,18+,19+,21-,24-,25-,26-,27-,28-,29+,30-,32-/m1/s1","(1S,3aS,4R,5R,6R,7aS,10aS,10bR)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside","2011-07-06","2021-03-13","(1S,3aS,4R,5R,6R,7aS,10aS,10bR,11E)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside",""],["FC8","~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine","C19 H24 Cl N7","CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12;CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N","InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1","","2018-06-19","2018-11-30","~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine","2018-12-05"],["FC9","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid","C30 H22 N6 O7 S2","O=S(=O)(N)c1ccc(cc1)n2nnc(c2)CNC(=S)Nc6ccc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c(C(=O)O)c6;N[S](=O)(=O)c1ccc(cc1)n2cc(CNC(=S)Nc3ccc(c(c3)C(O)=O)C4=C5C=CC(=O)C=C5Oc6cc(O)ccc46)nn2;c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N","InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44)","","2014-10-03","2015-11-06","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid","2015-11-11"],["FCA","alpha-D-fucopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1","alpha-D-fucose; 6-deoxy-alpha-D-galactopyranose; D-fucose; fucose","1999-07-08","2020-07-17","6-deoxy-alpha-D-galactopyranose",""],["FCB","beta-D-fucopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1","beta-D-fucose; 6-deoxy-beta-D-galactopyranose; D-fucose; fucose","1999-07-08","2020-07-17","6-deoxy-beta-D-galactopyranose",""],["FCC","1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one","C26 H21 N3 O","O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5;c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5","InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2","Linopirdine","2020-04-27","2021-03-01","1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one","2020-12-02"],["FCD","5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID","C11 H7 Cl O3","O=C(O)c2oc(c1c(Cl)cccc1)cc2;OC(=O)c1oc(cc1)c2ccccc2Cl;c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl","InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)","","2004-10-05","2011-06-04","5-(2-chlorophenyl)furan-2-carboxylic acid",""],["FCE","FERRICHROME","C27 H42 Fe N9 O12","O=C1NCC(=O)NCC(=O)NCC(=O)NC5C(=O)NC3C(=O)NC1CCCN6O[Fe]24(O=C(N(O2)CCC3)C)(O=C(N(O4)CCC5)C)O=C6C;CC1=O|[Fe]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH](CCC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4)NC(=O)CNC(=O)CNC(=O)CNC6=O)O5;CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(=O)N6)C","InChI=1S/C27H42N9O12.Fe/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3/t19-,20-,21-;/m0./s1","","2012-10-24","2013-08-30","(cyclo{glycylglycyl-N~5~-(hydroxy-kappaO)-N~5~-[1-(oxo-kappaO)ethyl]-L-ornithyl-N~5~-(hydroxy-kappaO)-N~5~-[1-(oxo-kappaO)ethyl]-L-ornithyl-N~5~-(hydroxy-kappaO)-N~5~-[1-(oxo-kappaO)ethyl]-L-ornithylglycyl})iron","2013-09-04"],["FCF","3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid","C15 H14 N4 O6","O=C2NC(C=NOCCON=Cc1cccc(C(=O)O)c1)=CC(=O)N2;OC(=O)c1cccc(C=NOCCON=CC2=CC(=O)NC(=O)N2)c1;c1cc(cc(c1)C(=O)O)C=NOCCON=CC2=CC(=O)NC(=O)N2","InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+","","2008-11-24","2011-06-04","3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid",""],["FCG","(N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE","C30 H43 N9 O16 P2","O=C2NC(O)C73N(c1cc(c(cc1N(C3N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)C(O)CC7;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH]6NC(=O)N[CH](O)[C]67CC[CH](O)N7c2cc1C;Cc1cc2c(cc1C)N3C(CCC34C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O","InChI=1S/C30H43N9O16P2/c1-12-5-14-15(6-13(12)2)39-19(42)3-4-30(39)27(35-29(47)36-28(30)46)37(14)7-16(40)21(43)17(41)8-52-56(48,49)55-57(50,51)53-9-18-22(44)23(45)26(54-18)38-11-34-20-24(31)32-10-33-25(20)38/h5-6,10-11,16-19,21-23,26-28,40-46H,3-4,7-9H2,1-2H3,(H,48,49)(H,50,51)(H2,31,32,33)(H2,35,36,47)/t16-,17+,18+,19+,21-,22+,23+,26+,27-,28+,30-/m0/s1","","2006-01-05","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3aS,4R,7aS)-1,4-dihydroxy-10,11-dimethyl-6-oxo-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FCH","(2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol","C17 H28 N2 O","OC(CNCC1CCCCC1)C(N)Cc2ccccc2;N[CH](Cc1ccccc1)[CH](O)CNCC2CCCCC2;c1ccc(cc1)CC(C(CNCC2CCCCC2)O)N","InChI=1S/C17H28N2O/c18-16(11-14-7-3-1-4-8-14)17(20)13-19-12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,19-20H,2,5-6,9-13,18H2/t16-,17+/m0/s1","","2011-06-07","2012-06-01","(2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol",""],["FCI","FERRICROCIN-IRON","C28 H44 Fe N9 O13","CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](CO)NC(=O)CNC(=O)[CH]3CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N3)C(=O)C)C(=O)C;CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(=O)N6)CO)C","InChI=1S/C28H44N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20-,21-,22+;/m0./s1","","1999-07-08","2023-09-23","",""],["FCJ","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine","C11 H18 N5 O11 P3","c3n(C1OC(COP(=O)(O)OP(O)(CP(=O)(O)O)=O)C(C1)O)c2c(c(ncn2)N)n3;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N","InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-30(23,24)27-29(21,22)5-28(18,19)20/h3-4,6-8,17H,1-2,5H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2018-03-22","2018-07-13","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine","2018-07-18"],["FCK","3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid","C16 H18 N4 O5","O=C2NC(C=NOCCCNCc1cc(C(=O)O)ccc1)=CC(=O)N2;OC(=O)c1cccc(CNCCCON=CC2=CC(=O)NC(=O)N2)c1;c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2","InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-18-25-6-2-5-17-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-8,10,17H,2,5-6,9H2,(H,22,23)(H2,19,20,21,24)/b18-10+","","2008-11-24","2011-06-04","3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid",""],["FCL","3-CHLORO-L-PHENYLALANINE","C9 H10 Cl N O2","Clc1cc(ccc1)CC(C(=O)O)N;N[CH](Cc1cccc(Cl)c1)C(O)=O;c1cc(cc(c1)Cl)CC(C(=O)O)N","InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2003-07-31","2024-09-27","3-chloro-L-phenylalanine",""],["FCM","(9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide","C30 H26 F N O7","Fc2c1c(cccc1)c(c(c2)CC)CNC(=O)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C;CCc1cc(F)c2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C(C)=O)C(=O)[C]45C)O;CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=O)C)O)O)OC)F","InChI=1S/C30H26FNO7/c1-5-15-10-19(31)17-9-7-6-8-16(17)18(15)13-32-29(37)25-22(38-4)11-21(35)26-27(25)39-23-12-20(34)24(14(2)33)28(36)30(23,26)3/h6-12,34-35H,5,13H2,1-4H3,(H,32,37)/t30-/m1/s1","","2012-06-06","2012-08-03","(9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide",""],["FCN","FOSFOMYCIN","C3 H7 O4 P","O=P(O)(O)C1OC1C;C[CH]1O[CH]1[P](O)(O)=O;CC1C(O1)P(=O)(O)O","InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1","1,2-EPOXYPROPYLPHOSPHONIC ACID","1999-07-08","2021-03-13","[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid",""],["FCO","CARBONMONOXIDE-(DICYANO) IRON","C3 Fe N2 O","N#C[Fe](C#N)=C=O;O=C=[Fe](C#N)C#N;C(#N)[Fe](=C=O)C#N","InChI=1S/2CN.CO.Fe/c3*1-2;","","1999-07-08","2011-06-04","bis(cyano-kappaC)(oxomethylidene)iron",""],["FCP","(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","C21 H23 F2 N5 O2","Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3;CN(C)C[CH](O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1;CN(C)CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O","InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1","","2002-06-10","2011-06-04","(2R)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol",""],["FCQ","5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C22 H25 N7 S","CC(C)c1[nH]nc2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN)nc12;CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1","InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)","","2018-06-20","2019-04-26","5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2019-05-01"],["FCR","ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL","C7 H5 F3 O","FC(F)(F)c1ccc(O)cc1;Oc1ccc(cc1)C(F)(F)F;c1cc(ccc1C(F)(F)F)O","InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H","","2000-04-12","2011-06-04","4-(trifluoromethyl)phenol",""],["FCS","(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C21 H23 F2 N5 O2","n1c(nc2c(c1)N(C(C(C)N2CCC(C)C)=O)CC#C)Nc3cc(c(c(c3)F)O)F;CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12;CC1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C","InChI=1S/C21H23F2N5O2/c1-5-7-28-17-11-24-21(25-14-9-15(22)18(29)16(23)10-14)26-19(17)27(8-6-12(2)3)13(4)20(28)30/h1,9-13,29H,6-8H2,2-4H3,(H,24,25,26)/t13-/m0/s1","","2018-03-23","2018-03-29","(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2018-04-04"],["FCT","DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE","C18 H31 F O15","FC3C(O)C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(OC3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](F)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)F)O)CO)CO)O)O)O)O","InChI=1S/C18H31FO15/c19-7-9(24)14(5(2-21)30-16(7)29)33-18-13(28)11(26)15(6(3-22)32-18)34-17-12(27)10(25)8(23)4(1-20)31-17/h4-18,20-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1","","1999-09-22","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro-alpha-D-glucopyranose",""],["FCU","(3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide","C26 H19 F3 N8 O3","O=C(Nc1nnn[NH]1)C1(NC(=O)N=C/c2ccccc2)CN(C(=O)c2cccc(c2)C(F)(F)F)c2ccccc21;FC(F)(F)c1cccc(c1)C(=O)N2C[C](NC(=O)N=Cc3ccccc3)(C(=O)Nc4[nH]nnn4)c5ccccc25;c1ccc(cc1)C=NC(=O)NC2(CN(c3c2cccc3)C(=O)c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5","InChI=1S/C26H19F3N8O3/c27-26(28,29)18-10-6-9-17(13-18)21(38)37-15-25(19-11-4-5-12-20(19)37,22(39)31-23-33-35-36-34-23)32-24(40)30-14-16-7-2-1-3-8-16/h1-14H,15H2,(H,32,40)(H2,31,33,34,35,36,39)/b30-14-/t25-/m1/s1","","2021-12-14","2022-07-01","(3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide","2022-07-06"],["FCV","3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide","C18 H13 F2 N3 O3 S","c3ccnc(c2cc(C(=O)NNS(c1ccccc1F)(=O)=O)cc(c2)F)c3;Fc1cc(cc(c1)c2ccccn2)C(=O)NN[S](=O)(=O)c3ccccc3F;c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3","InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)","","2018-03-23","2018-07-27","3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide","2018-08-01"],["FCW","5-cyclohexyl-1,3-dihydroindol-2-one","C14 H17 N O","O=C1Cc2cc(ccc2N1)C3CCCCC3;c1cc2c(cc1C3CCCCC3)CC(=O)N2","InChI=1S/C14H17NO/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,15,16)","","2015-03-09","2015-05-08","5-cyclohexyl-1,3-dihydroindol-2-one","2015-05-13"],["FCX","ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX","C23 H37 F N7 O18 P3","O=C(O)C(F)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCC[CH](F)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCC(C(=O)O)F)O","InChI=1S/C23H37FN7O18P3/c1-23(2,17(34)20(35)27-6-4-13(32)26-5-3-11(24)22(36)37)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(33)21(47-12)31-10-30-14-18(25)28-9-29-19(14)31/h9-12,15-17,21,33-34H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t11-,12+,15+,16+,17-,21+/m0/s1","","1999-07-08","2011-06-04","(3S,5S,9R,18S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-18-fluoro-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)",""],["FCY","FREE CYSTEINE","C3 H7 N O2 S","O=C(O)C(N)CS;N[CH](CS)C(O)=O;C(C(C(=O)O)N)S","InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H","","1999-07-08","2008-10-14","L-cysteine",""],["FCZ","5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine","C16 H17 N7 O","CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14;Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N","InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21)","","2018-06-21","2019-09-27","5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine","2019-10-02"],["FD0","2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid","C29 H43 N7 O8","CCC(=O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(O)=O)CC1)c2ccccc2;CCC(=O)N(c1ccccc1)C2CCN(CC2)CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O","InChI=1S/C29H43N7O8/c1-2-28(42)36(21-7-4-3-5-8-21)22-11-14-35(15-12-22)16-13-30-23(37)9-6-10-24(38)31-17-25(39)32-18-26(40)33-19-27(41)34-20-29(43)44/h3-5,7-8,22H,2,6,9-20H2,1H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,43,44)","","2022-01-20","2023-05-19","2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid","2023-05-24"],["FD1","N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID","C26 H28 N4 O5 S","O=C(N1C(C(=O)O)CCCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4;NC(=N)c1cccc(C[CH](N[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCC[CH]4C(O)=O)c1;[H]N=C(c1cccc(c1)CC(C(=O)N2CCCCC2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)N","InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1","","2001-10-19","2011-06-04","(2R)-1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-2-carboxylic acid",""],["FD2","N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER","C27 H30 N4 O5 S","O=C(N1CCC(C(=O)OC)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4;COC(=O)[CH]1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3;[H]N=C(c1cccc(c1)CC(C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)N","InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)/t24-/m0/s1","","2001-10-19","2011-06-04","methyl 1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-4-carboxylate",""],["FD3","N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE","C24 H27 N5 O3 S","O=C(N1CCNCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4;NC(=N)c1cccc(C[CH](N[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCNCC4)c1;[H]N=C(c1cccc(c1)CC(C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)N","InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)/t22-/m0/s1","","2001-10-19","2011-06-04","3-{(2S)-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxo-3-piperazin-1-ylpropyl}benzenecarboximidamide",""],["FD4","N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE","C26 H29 N5 O4 S","O=C(N4CCN(C(=O)C(NS(=O)(=O)c2cc1ccccc1cc2)Cc3cc(C(=[N@H])N)ccc3)CC4)C;CC(=O)N1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3;CC(=O)N1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1","","2001-10-19","2011-06-04","3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide",""],["FD5","[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C42 H54 N9 O21 P S4","Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NNc5c(N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(cc6cc5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C42H45N9O21PS4/c1-20-14-27-28(15-21(20)2)50(18-29(52)38(54)30(53)19-72-73(58,59)60)40-37(44-27)41(56)51(42(57)45-40)71-12-13-75(63,64)26-10-6-24(7-11-26)46-48-35-31(76(65,66)67)16-22-17-32(77(68,69)70)36(39(55)33(22)34(35)43)49-47-23-4-8-25(9-5-23)74(3,61)62/h4-12,16-17,46-49,55,61-70H,13,18-19,43H2,1-3H3,(H2,58,59,60)/q-1/p-2","FAD DERIVATIVE","2013-08-12","2021-03-01","[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2013-10-30"],["FD6","N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine","C19 H23 Cl N4 S","CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24;CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl","InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3","FD16","2016-03-10","2021-03-01","N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine","2017-01-25"],["FD7","N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea","C14 H22 N4 O","c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC;CCNC(=N)NC(=O)Nc1c(CC)cccc1CC;CCc1cccc(c1NC(=O)NC(=N)NCC)CC","InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)","","2018-03-23","2019-02-01","N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea","2019-02-06"],["FD8","N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide","C20 H9 F8 N O2","Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F;c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F","InChI=1S/C20H9F8NO2/c21-13-14(22)16(24)18(17(25)15(13)23)31-10-5-3-4-9(8-10)29-19(30)11-6-1-2-7-12(11)20(26,27)28/h1-8H,(H,29,30)","","2010-02-22","2011-06-04","N-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide",""],["FD9","(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide","C26 H25 N5 O3","Cc1onc(C)c1Cn2cc(C#N)c3cc(Oc4ccc(NC(=O)[CH]5CCCN5)cc4)ccc23;Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)C5CCCN5)C#N","InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1","","2015-02-27","2015-04-17","(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide","2015-04-22"],["FDA","DIHYDROFLAVINE-ADENINE DINUCLEOTIDE","C27 H35 N9 O15 P2","O=C3C=2Nc1cc(c(cc1N(C=2NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C;Cc1cc2NC3=C(NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1","","1999-07-08","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FDB","2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one","C7 H8 N4 O","O=C1c2c(cnc2N=C(N)N1)C;Cc1c[nH]c2N=C(N)NC(=O)c12;Cc1c[nH]c2c1C(=O)NC(=N2)N","InChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12)","","2014-01-15","2015-01-16","2-amino-5-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2015-01-21"],["FDC","IRON(III) DICITRATE","C12 H22 Fe2 O14","[O][CH]1O|[Fe]23|4|O[CH]([O])CC5(C[CH]([O])O|[Fe]|67(|O[CH]([O])CC(C1)([CH]([O])O|6)[OH]27)[OH]35)[CH]([O])O|4;C1C([OH][Fe]234[OH]C(CC56[OH]2[Fe]7([OH]3C1(CC([OH]7)[O])C([OH]4)[O])([OH]C(C5)[O])[OH]C6[O])[O])[O]","InChI=1/2C6H14O7.2Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;/h2*3-5,7-13H,1-2H2;;/rC12H28Fe2O14/c15-5-1-11-3-7(17)23-14-22-6(16)2-12(10(20)26-14)4-8(18)24-13(21-5,27(11)14,28(12)14)25-9(11)19/h5-10,15-28H,1-4H2/t5-,6+,7-,8-,9?,10+,11+,12-/m1/s1","DINUCLEAR FERRIC CITRATE","2002-01-07","2011-12-12","",""],["FDD","FE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IX","C32 H32 Fe N4 O4","O=C(O)CCC5=C(c4cc3C(=C(C2=Cc8c(c(c7cc1C(=C(C6=[n+]1[Fe+3]([n+]23)(n4C5=C6)n78)CCC(=O)O)C)C)C)C)C)C;Cc1c(C)c2C=C3C(=C(CCC(O)=O)C4=[N+]3[Fe+3]56n2c1C=C7C(=C(C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C)CCC(O)=O)C)C;Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C","InChI=1S/C32H34N4O4.Fe/c1-15-17(3)25-12-27-19(5)21(7-9-31(37)38)29(35-27)14-30-22(8-10-32(39)40)20(6)28(36-30)13-26-18(4)16(2)24(34-26)11-23(15)33-25;/h11-14H,7-10H2,1-6H3,(H4,33,34,35,36,37,38,39,40);/q;+7/p-2/b23-11-,24-11-,25-12-,26-13-,27-12-,28-13-,29-14-,30-14-;","","2005-09-26","2011-06-07","[3,3'-(3,7,8,12,13,17-hexamethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(5+)",""],["FDE","FE(III) DEUTEROPORPHYRIN IX","C30 H28 Fe N4 O4","CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)C;Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C","InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;","","2005-09-13","2023-09-23","",""],["FDF","(2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate","C15 H26 F2 O7 P2","FC/C(=CCCC(=CCC/C(=C/COP(=O)(OP(=O)(O)O)O)C)C)CF;CC(CCC=C(CF)CF)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)CCC=C(CF)CF","InChI=1S/C15H26F2O7P2/c1-13(7-4-8-15(11-16)12-17)5-3-6-14(2)9-10-23-26(21,22)24-25(18,19)20/h5,8-9H,3-4,6-7,10-12H2,1-2H3,(H,21,22)(H2,18,19,20)/b13-5+,14-9+","","2008-03-20","2011-06-04","(2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate",""],["FDG","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7,9-dihydro-1H-purine-6,8-dione","C10 H13 F N5 O8 P","O=P(O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)C(F)C3O;NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F)C(=O)N1;C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O","InChI=1S/C10H13FN5O8P/c11-3-5(17)2(1-23-25(20,21)22)24-8(3)16-6-4(13-10(16)19)7(18)15-9(12)14-6/h2-3,5,8,17H,1H2,(H,13,19)(H2,20,21,22)(H3,12,14,15,18)/t2-,3+,5-,8-/m1/s1","","2010-01-06","2011-06-04","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7,9-dihydro-1H-purine-6,8-dione",""],["FDH","5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine","C15 H14 Cl N7 O","CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(Cl)nc(N)nc14;CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl","InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)","","2018-06-21","2019-09-27","5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine","2019-10-02"],["FDI","4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID","C15 H20 N2 O4","O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)C(CC)CC;CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O;CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O","InChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)","","1999-07-08","2011-06-04","4-(acetylamino)-3-[(2-ethylbutanoyl)amino]benzoic acid",""],["FDJ","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","C11 H18 Cl N2 O13 P3","C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)Cl)=O)=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O","InChI=1S/C11H18ClN2O13P3/c1-5-3-14(11(17)13-9(5)16)8-2-6(15)7(26-8)4-25-30(23,24)27-29(21,22)10(12)28(18,19)20/h3,6-8,10,15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,10+/m0/s1","","2018-03-26","2018-06-15","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","2018-06-20"],["FDK","(1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol","C7 H12 O5","OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O;C1=C(C(C(C(C1O)O)O)O)CO","InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5-,6-,7-/m0/s1","","2018-06-21","2018-08-17","(1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol","2018-08-22"],["FDL","N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide","C18 H23 N3 O4","O=C(NCCCCC(N)C(=O)Nc2ccc1c(OC(=O)C=C1C)c2)C;CC(=O)NCCCC[CH](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C;CC1=CC(=O)Oc2c1ccc(c2)NC(=O)C(CCCCNC(=O)C)N","InChI=1S/C18H23N3O4/c1-11-9-17(23)25-16-10-13(6-7-14(11)16)21-18(24)15(19)5-3-4-8-20-12(2)22/h6-7,9-10,15H,3-5,8,19H2,1-2H3,(H,20,22)(H,21,24)/t15-/m0/s1","","2012-10-11","2024-09-27","N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide","2012-11-30"],["FDM","3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE","C10 H14 F N2 O7 P","O=C1NC(=O)N(C=C1C)C2OC(C(F)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](F)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)F","InChI=1S/C10H14FN2O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","PHOSPHORIC ACID MONO-[3-FLUORO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYRO-FURAN-2-YLMETHYL] ESTER","2003-01-14","2021-03-13","3'-deoxy-3'-fluorothymidine 5'-(dihydrogen phosphate)",""],["FDN","(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE","C16 H12 F2 N2 O3","O=C2OC(C(=O)N2Nc1ccccc1)(c3ccc(F)cc3F)C;C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F;CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F","InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1","5-(2,4-DIFLUORO-PHENYL)-5-METHYL-3-PHENYLAMINO-OXAZOLIDINE-2,4-DIONE","2006-02-10","2021-03-13","(5S)-5-(2,4-difluorophenyl)-5-methyl-3-(phenylamino)-1,3-oxazolidine-2,4-dione",""],["FDO","(2~{R})-4-methyl-2-(methylamino)pentanamide","C7 H16 N2 O","CN[CH](CC(C)C)C(N)=O;CC(C)CC(C(=O)N)NC","InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1","","2023-07-19","2024-05-03","(2~{R})-4-methyl-2-(methylamino)pentanamide","2024-05-08"],["FDP","2,6-di-O-phosphono-beta-D-fructofuranose","C6 H14 O12 P2","O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O;OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O;C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1","FRUCTOSE-2,6-DIPHOSPHATE; 2,6-di-O-phosphono-beta-D-fructose; 2,6-di-O-phosphono-D-fructose;\n2,6-di-O-phosphono-fructose","1999-07-08","2020-07-17","2,6-di-O-phosphono-beta-D-fructofuranose",""],["FDQ","2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol","C6 H14 O10 P2","O=P(OCC1OC(C(O)C1O)CP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](C[P](O)(O)=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)CP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1","D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPHONOHEXITOL-6-PHOSPHATE","2000-04-06","2020-07-17","2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol",""],["FDR","2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one","C10 H10 N2 O S","O=C1c2c3c(sc2N=C(N1)C)CCC3;CC1=Nc2sc3CCCc3c2C(=O)N1;CC1=Nc2c(c3c(s2)CCC3)C(=O)N1","InChI=1S/C10H10N2OS/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13)","","2011-06-29","2011-07-15","2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one",""],["FDS","FLUORESCIN","C20 H14 O5","O=C(O)c1ccccc1C3c4c(Oc2c3ccc(O)c2)cc(O)cc4;OC(=O)c1ccccc1[CH]2c3ccc(O)cc3Oc4cc(O)ccc24;c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O","InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)","","1999-07-08","2011-06-04","2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid",""],["FDT","(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID","C10 H10 N4 O3 S","O=C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C;Cn1cc(nn1)[CH]2SC=C(NC=C2C=O)C(O)=O;Cn1cc(nn1)C2C(=CNC(=CS2)C(=O)O)C=O","InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1","7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID; BRL42715; C6-(N1-METHYL-1,2,3-TRIAZOLYLMETHYLENE)PENEM","2004-12-09","2024-09-27","(7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid",""],["FDU","1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione","C11 H11 F N2 O5","O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO;OC[CH]1O[CH]([CH](F)[CH]1O)N2C=C(C#C)C(=O)NC2=O;C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F","InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1","(2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE","2014-02-12","2021-03-01","1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione","2014-08-13"],["FDV","5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine","C12 H21 N2 O13 P3","N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(=O)(O)O)C)=O;C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(C)P(=O)(O)O)O)O","InChI=1S/C12H21N2O13P3/c1-6-4-14(12(17)13-11(6)16)10-3-8(15)9(26-10)5-25-30(23,24)27-29(21,22)7(2)28(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t7-,8-,9+,10+/m0/s1","","2018-03-26","2018-06-15","5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine","2018-06-20"],["FDW","3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine","C15 H16 N8 O","CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc(N)nc14;CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N","InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21)","","2018-06-21","2019-09-27","3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine","2019-10-02"],["FDX","(2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C15 H25 N3 O6 S","CN(C)C(=O)C1CC(SC2CC(N=C2C(=O)O)C(CO)C(O)O)CN1;CN(C)C(=O)[CH]1C[CH](CN1)S[CH]2C[CH](N=C2C(O)=O)[CH](CO)C(O)O;CN(C)C(=O)C1CC(CN1)SC2CC(N=C2C(=O)O)C(CO)C(O)O","InChI=1S/C15H25N3O6S/c1-18(2)13(20)10-3-7(5-16-10)25-11-4-9(8(6-19)14(21)22)17-12(11)15(23)24/h7-11,14,16,19,21-22H,3-6H2,1-2H3,(H,23,24)/t7-,8-,9-,10-,11+/m1/s1","","2021-12-15","2024-09-27","(2R,4S)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S)-1,1,3-trihydroxypropan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid","2022-05-18"],["FDY","5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","C11 H18 F N2 O13 P3","C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)F)=O)=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O","InChI=1S/C11H18FN2O13P3/c1-5-3-14(11(17)13-9(5)16)8-2-6(15)7(26-8)4-25-30(23,24)27-29(21,22)10(12)28(18,19)20/h3,6-8,10,15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,10+/m0/s1","","2018-03-26","2018-06-15","5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","2018-06-20"],["FDZ","1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea","C10 H7 F3 N4 O2 S","c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2;FC(F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1;c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2","InChI=1S/C10H7F3N4O2S/c11-10(12,13)19-7-3-1-2-6(4-7)15-9(18)16-8-5-14-17-20-8/h1-5H,(H2,15,16,18)","","2016-01-18","2016-07-22","1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea","2016-07-27"],["FE","FE (III) ION","Fe","[Fe+3];[Fe+3];[Fe+3]","InChI=1S/Fe/q+3","","1999-07-08","2011-06-04","iron(3+)",""],["FE0","(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol","C6 H12 O4","OC[CH]1[CH](O)C[CH](O)[CH]1O;C1C(C(C(C1O)O)CO)O","InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1","","2020-05-03","2024-09-27","(1~{S},2~{S},3~{R},4~{R})-3-(hydroxymethyl)cyclopentane-1,2,4-triol","2021-01-27"],["FE1","METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE","C22 H26 N8 O3","O=C(c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3)N4CCC(C(=O)OC)CC4;COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3cnc4nc(N)nc(N)c4n3;CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC","InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28)","903R","2006-03-27","2020-06-17","methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]piperidine-4-carboxylate",""],["FE2","FE (II) ION","Fe","[Fe+2];[Fe++];[Fe+2]","InChI=1S/Fe/q+2","","1999-07-08","2011-06-04","iron(2+)",""],["FE3","4-(2-aminoethyl)-3-chlorobenzoic acid","C9 H10 Cl N O2","Clc1cc(ccc1CCN)C(=O)O;NCCc1ccc(cc1Cl)C(O)=O;c1cc(c(cc1C(=O)O)Cl)CCN","InChI=1S/C9H10ClNO2/c10-8-5-7(9(12)13)2-1-6(8)3-4-11/h1-2,5H,3-4,11H2,(H,12,13)","","2008-03-14","2024-09-27","4-(2-aminoethyl)-3-chlorobenzoic acid",""],["FE5","5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine","C15 H15 N7 O","CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14;CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N","InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)","","2018-06-21","2019-09-27","5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine","2019-10-02"],["FE6","1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine","C12 H8 Br Cl F N5","Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1;c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl","InChI=1S/C12H8BrClFN5/c13-7-2-1-6(9(15)3-7)5-20-11-8(4-17-20)10(14)18-12(16)19-11/h1-4H,5H2,(H2,16,18,19)","","2020-05-03","2020-07-03","1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine","2020-07-08"],["FE7","N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide","C29 H32 N4 O3 S","c15c(NC(=O)C/1=C(c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(c5)NS(CC)(=O)=O;CC[S](=O)(=O)Nc1ccc2NC(=O)C(=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c2c1;CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5)C(=O)N2","InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-","","2018-03-26","2018-04-06","N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide","2018-04-11"],["FE8","(10~{S},14~{R},17~{S})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide","C33 H46 N8 O5 S","NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O;c1ccc2c(c1)CN(CC(=O)N3CCCC3CC(=O)NC(C(=O)NC(CSC2)C(=O)N)CCCNC(=N)N)Cc4ccccc4CO","InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27+,28+/m0/s1","","2018-06-25","2019-09-20","(10~{S},14~{R},17~{S})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide","2019-09-25"],["FE9","iron-guanylyl pyridinol cofactor","C21 H23 Fe N6 O13 P S","CC1=C(O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)C(=C5CC(=O)[Fe++](O)(S)(C#[O+])(C#[O+])N5C1=O)C;CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S","InChI=1S/C19H22N6O10P.2CO.Fe.H2O.H2S/c1-7-9(3-4-26)22-16(29)8(2)14(7)35-36(31,32)33-5-10-12(27)13(28)18(34-10)25-6-21-11-15(25)23-19(20)24-17(11)30;2*1-2;;;/h6,10,12-13,18,27-28H,3,5H2,1-2H3,(H5,20,22,23,24,29,30,31,32);;;;2*1H2/q;2*+1;+5;;/p-3/t10-,12-,13-,18-;;;;;/m1...../s1","","2013-08-01","2013-08-02","","2013-08-07"],["FEA","MONOAZIDO-MU-OXO-DIIRON","Fe2 N3 O","[Fe]O[Fe]N=[N+]=[N-];[N-]=[N+]=N[Fe]O[Fe]","InChI=1S/2Fe.N3.O/c;;1-3-2;/q;+1;-1;","","1999-07-08","2011-06-04","azidoferriooxyiron",""],["FEB","N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide","C27 H51 N5 O7","O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCC)CC(=O)N)CCC(=O)N;CCCCCCCCC[CH](O)CC(=O)N[CH](CC(N)=O)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CO)CC(C)C;CCCCCCCCCC(CC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)O","InChI=1S/C27H51N5O7/c1-4-5-6-7-8-9-10-11-20(34)15-25(37)31-22(16-24(29)36)27(39)32-21(12-13-23(28)35)26(38)30-19(17-33)14-18(2)3/h18-22,33-34H,4-17H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,38)(H,31,37)(H,32,39)/t19-,20+,21-,22-/m0/s1","Fellutamide B, bound form","2008-05-29","2024-09-27","N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide",""],["FEC","1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX","C36 H36 Fe N4 O8","O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C;Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe]56N7C(=CC8=[N+]5C(=Cc1n26)C(=C8CCC(O)=O)C)C(=C(CCC(O)=O)C7=C4)C)CCC(O)=O;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O","InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","FE-COPROPORPHYRIN III","2003-01-31","2020-06-17","[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(2-)]iron(2+)",""],["FED","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aR)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","C27 H35 N9 O16 P2","O=C2NC(=O)N=C3N(c1cc(c(cc1NC23O)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O;Cc1cc2N[C]3(O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H35N9O16P2/c1-10-3-12-13(4-11(10)2)35(24-27(44,34-12)25(42)33-26(43)32-24)5-14(37)18(39)15(38)6-49-53(45,46)52-54(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,34,37-41,44H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,33,42,43)/t14-,15+,16+,18-,19+,20+,23+,27+/m0/s1","","2012-09-24","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aR)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2013-08-07"],["FEE","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide","C39 H77 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCC)CCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCC)O)O","InChI=1S/C39H77NO9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-34(43)40-31(35(44)32(42)27-25-6-4-2)30-48-39-38(47)37(46)36(45)33(29-41)49-39/h31-33,35-39,41-42,44-47H,3-30H2,1-2H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1","","2009-02-09","2011-06-04","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide",""],["FEF","(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}","C20 H19 N3 O4","O=C2C(c1ccccc1N2)=C4C(=NOCCC(O)CO)c3ccccc3N4;OC[CH](O)CCON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34;c1ccc2c(c1)C(=C3C(=NOCCC(CO)O)c4ccccc4N3)C(=O)N2","InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,24-25H,9-11H2,(H,22,26)/b19-17-,23-18+/t12-/m1/s1","","2008-07-30","2011-06-04","(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}",""],["FEG","5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine","C19 H23 N6 O11 P","O=C(O)Cc4nc(O)c(c(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C;Cc1c(O)nc(CC(O)=O)c(C)c1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N;Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O","InChI=1S/C19H23N6O11P/c1-6-8(3-10(26)27)22-16(30)7(2)14(6)36-37(32,33)34-4-9-12(28)13(29)18(35-9)25-5-21-11-15(25)23-19(20)24-17(11)31/h5,9,12-13,18,28-29H,3-4H2,1-2H3,(H,22,30)(H,26,27)(H,32,33)(H3,20,23,24,31)/t9-,12-,13-,18-/m1/s1","","2008-06-09","2011-06-04","5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine",""],["FEH","(1R)-1-phenylethane-1,2-diol","C8 H10 O2","OC(c1ccccc1)CO;OC[CH](O)c1ccccc1;c1ccc(cc1)C(CO)O","InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m0/s1","","2013-11-27","2024-09-27","(1R)-1-phenylethane-1,2-diol","2014-07-16"],["FEI","2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid","C37 H46 N6 O10 S2","CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O","InChI=1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18-","bilirubin ditaurate","2023-07-05","2023-12-29","2-[3-[5-[(~{E})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoylamino]ethanesulfonic acid","2024-01-03"],["FEJ","(2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic\nacid (non-preferred name)","C14 H21 N2 O8 P","OP(O)(=O)OCc1cnc(c(c1[C@H]=NC(C(C(C)C)O)C(O)=O)O)C;CC(C)[CH](O)[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(C(C)C)O)C(=O)O)O","InChI=1S/C14H21N2O8P/c1-7(2)12(17)11(14(19)20)16-5-10-9(6-24-25(21,22)23)4-15-8(3)13(10)18/h4-5,7,11-12,17-18H,6H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-5+/t11-,12-/m0/s1","(2S,3S)-isopropylserine","2018-03-27","2020-06-17","(2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name)","2018-09-26"],["FEK","(1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol","C7 H11 F O4","OCC1=C[CH](O)[CH](F)[CH](O)[CH]1O;C1=C(C(C(C(C1O)F)O)O)CO","InChI=1S/C7H11FO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,4-7,9-12H,2H2/t4-,5+,6+,7-/m1/s1","","2018-06-25","2024-09-27","(1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol","2018-08-22"],["FEL","HYDRATED FE","Fe H6 O3","O.O.O.[Fe+3];[OH2][Fe+3]([OH2])[OH2]","InChI=1S/Fe.3H2O/h;3*1H2/q+3;;;","","1999-07-08","2023-09-23","tris($l^{3}-oxidanyl)iron(3+)",""],["FEM","N-(2-FERROCENYLETHYL)MALEIMIDE","C16 H17 Fe N O2","O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3C=CC=C3)C=C2;C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5C64)[CH]2=[CH]7C8[CH]9=[CH]12","InChI=1S/C11H12NO2.C5H5.Fe/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-4H,5-8H2;1-5H;","","2001-07-26","2023-09-23","iron; $l^{1}-carbane; 1-propylpyrrolidine-2,5-dione",""],["FEN","N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE","C26 H33 N O2","O=C(Nc1ccc(O)cc1)C=C(C=CC=C(C=CC2=C(CCCC2(C)C)C)C)C;CC1=C(C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2ccc(cc2)O)C)C","InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+","","1999-07-08","2011-06-04","15-[(4-hydroxyphenyl)amino]retinal",""],["FEO","MU-OXO-DIIRON","Fe2 O","[Fe]O[Fe];O([Fe])[Fe]","InChI=1S/2Fe.O","","1999-07-08","2011-06-04","ferriooxyiron",""],["FEP","[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID","C18 H20 F4 O6 P2","FC(F)(c1ccc(cc1)CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)P(=O)(O)O;O[P](O)(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1;c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O","InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)","","2001-11-06","2011-06-04","{butane-1,4-diylbis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)",""],["FEQ","(1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol","C13 H13 F N2 O8","OCC1=C[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C=C(C(C(C2F)O)O)CO","InChI=1S/C13H13FN2O8/c14-11-10(3-6(5-17)12(18)13(11)19)24-9-2-1-7(15(20)21)4-8(9)16(22)23/h1-4,10-13,17-19H,5H2/t10-,11-,12-,13+/m0/s1","","2018-06-25","2018-08-17","(1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol","2018-08-22"],["FER","3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID","C10 H10 O4","O=C(O)C=Cc1cc(OC)c(O)cc1;COc1cc(C=CC(O)=O)ccc1O;COc1cc(ccc1O)C=CC(=O)O","InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+","FERULIC ACID","1999-07-08","2020-06-17","(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid",""],["FES","FE2/S2 (INORGANIC) CLUSTER","Fe2 S2","[Fe]1S[Fe]S1;S1[Fe]S[Fe]1;S1[Fe]S[Fe]1","InChI=1S/2Fe.2S","","1999-07-08","2011-06-04","di-mu-sulfidediiron",""],["FEU","4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine","C14 H11 Cl F3 N5 O","COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F)F;COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F","InChI=1S/C14H11ClF3N5O/c1-24-10-4-8(14(16,17)18)3-2-7(10)6-23-12-9(5-20-23)11(15)21-13(19)22-12/h2-5H,6H2,1H3,(H2,19,21,22)","","2020-05-03","2020-07-03","4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine","2020-07-08"],["FEV","(2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid","C13 H17 N2 O7 P","OP(O)(=O)OCc1cnc(c(c1[C@H]=NC(=CCC)C(O)=O)O)C;CCC=C(N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCC=C(C(=O)O)N=Cc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C13H17N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h4-6,16H,3,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b11-4+,15-6+","","2018-03-27","2018-09-21","(2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid","2018-09-26"],["FEW","3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide","C31 H31 F3 N6 O","CC(C)c1ccc(cc1C#Cc2cnc3cnccn23)C(=O)Nc4cc(CN5CCN(C)CC5)cc(c4)C(F)(F)F;CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C","InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)","","2018-06-25","2018-08-03","3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide","2018-08-08"],["FEX","METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE","C32 H38 N2 O3","O=C(N(c1cccc(c1)CCC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CCCCC4;COC(=O)CCc1cccc(c1)N(Cc2ccc(cc2)c3ccc(cc3)N(C)C)C(=O)C4CCCCC4;CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4","InChI=1S/C32H38N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-13,15-20,22,28H,4-6,9-10,14,21,23H2,1-3H3","FEXARAMINE","2003-03-20","2021-03-01","methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}propanoate",""],["FEY","(1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C30 H44 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc3ccccc3)C1)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4","InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28+/m0/s1","","2021-12-15","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-12-22"],["FEZ","(1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate","C22 H30 O4","C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC(=O)c2ccc(O)cc2;CC(C)[CH]1C=C[C](C)(O)CCC=C(C)C[CH]1OC(=O)c2ccc(O)cc2;CC1=CCCC(C=CC(C(C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O","InChI=1S/C22H30O4/c1-15(2)19-11-13-22(4,25)12-5-6-16(3)14-20(19)26-21(24)17-7-9-18(23)10-8-17/h6-11,13,15,19-20,23,25H,5,12,14H2,1-4H3/b13-11-,16-6-/t19-,20+,22+/m1/s1","FEROLINE","2016-03-03","2020-06-17","(1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate","2017-03-08"],["FF0","(2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol","C19 H26 N2 O","OC(C(N)Cc1ccccc1)CNCCCc2ccccc2;N[CH](Cc1ccccc1)[CH](O)CNCCCc2ccccc2;c1ccc(cc1)CCCNCC(C(Cc2ccccc2)N)O","InChI=1S/C19H26N2O/c20-18(14-17-10-5-2-6-11-17)19(22)15-21-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18-19,21-22H,7,12-15,20H2/t18-,19+/m0/s1","","2011-06-07","2012-06-01","(2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol",""],["FF1","(4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","C30 H29 F N6 O3","CC1=C([CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCCc3c(C)cccc3C)C(=O)Nc4ccc5[nH]ncc5c4;Cc1cccc(c1CCNC(=O)c2cc(ccc2F)C3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C","InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)22(16)11-12-32-28(38)23-14-19(7-9-24(23)31)27-26(18(3)34-30(40)36-27)29(39)35-21-8-10-25-20(13-21)15-33-37-25/h4-10,13-15,27H,11-12H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)/t27-/m0/s1","","2016-01-11","2016-05-06","(4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","2016-05-11"],["FF2","4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide","C9 H6 Cl N O2 S","ONC(=O)c1sc2cccc(Cl)c2c1;c1cc2c(cc(s2)C(=O)NO)c(c1)Cl","InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)","","2018-06-26","2018-08-10","4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide","2018-08-15"],["FF3","1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE","C3 H4 F2 N4 O2 S2","O=S(=O)(N)C(F)(F)c1nnc(s1)N;Nc1sc(nn1)C(F)(F)[S](N)(=O)=O;c1(nnc(s1)N)C(F)(F)S(=O)(=O)N","InChI=1S/C3H4F2N4O2S2/c4-3(5,13(7,10)11)1-8-9-2(6)12-1/h(H2,6,9)(H2,7,10,11)","","2005-11-10","2011-06-04","1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide",""],["FF4","2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","C10 H17 F N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)P(O)(O)=O)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O","InChI=1S/C10H17FN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9-/m0/s1","","2018-03-27","2018-06-15","2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","2018-06-20"],["FF5","~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide","C19 H24 N4 O5 S","CC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1;CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C19H24N4O5S/c1-14(24)21-12-2-3-13-28-17-8-4-15(5-9-17)22-19(25)23-16-6-10-18(11-7-16)29(20,26)27/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,25)","","2018-06-27","2019-05-03","~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide","2019-05-08"],["FF7","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine","C10 H17 Cl N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)Cl)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O","InChI=1S/C10H17ClN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9+/m0/s1","","2018-03-27","2018-06-15","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine","2018-06-20"],["FF8","(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid","C22 H26 F N O4","c1(c(ccc(c1)C(C(O)=O)C)c2cc(ccc2)OC(=O)NCCCCCC)F;CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[CH](C)C(O)=O;CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)C(C)C(=O)O","InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1","","2017-06-17","2018-01-26","(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid","2018-01-31"],["FF9","(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid","C10 H18 N2 O4","CCC(=NCCCC[CH](N)C(O)=O)C(O)=O;CCC(=NCCCCC(C(=O)O)N)C(=O)O","InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1","","2020-05-08","2024-09-27","(2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid","2020-08-05"],["FFA","(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE","C19 H28 O2","O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4;C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C","InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1","EPI-TESTOSTERONE","2006-10-16","2021-03-01","(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one",""],["FFB","N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE","C14 H9 F5 N2 O3 S","c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)c(F)c(F)c(F)c2F;c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N","InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)","","2000-10-30","2018-04-18","N-[(pentafluorophenyl)methyl]-4-sulfamoylbenzamide",""],["FFC","2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE","C12 H21 F O10","FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O)CO)O)O)O)O","InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12+/m1/s1","","1999-07-08","2020-07-17","2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose",""],["FFD","(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol","C11 H14 F O6 P","O=P(OCC2OC(c1cccc(F)c1)CC2O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2cccc(F)c2;c1cc(cc(c1)F)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H14FO6P/c12-8-3-1-2-7(4-8)10-5-9(13)11(18-10)6-17-19(14,15)16/h1-4,9-11,13H,5-6H2,(H2,14,15,16)/t9-,10+,11+/m0/s1","","2007-04-16","2011-06-04","(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol",""],["FFE","[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron","Fe3 H11 O13","O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O;O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O","InChI=1S/3Fe.11H2O.2O/h;;;11*1H2;;/q+2;+4;+5;;;;;;;;;;;;;/p-11","","2017-03-02","2018-03-02","[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron","2018-03-07"],["FFF","TRIFLUOROFURNESYL DIPHOSPHATE","C15 H25 F3 O7 P2","FC(F)(F)/C(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O)(O)=O)C(F)(F)F;CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C(F)(F)F)C)C","InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10-","","1999-07-08","2011-06-04","(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl trihydrogen diphosphate",""],["FFG","(R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one","C32 H28 F3 N7 O3","O=C1NC(=NN1)c2cc(ccc2)n7nc(c6c7C(=O)N(c5ccc(c3ccccc3CN4CCC(O)C4)cc5)CC6)C(F)(F)F;O[CH]1CCN(C1)Cc2ccccc2c3ccc(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O)N7)c5C4=O)C(F)(F)F;c1ccc(c(c1)CN2CCC(C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O","InChI=1S/C32H28F3N7O3/c33-32(34,35)28-26-13-15-41(30(44)27(26)42(39-28)23-6-3-5-20(16-23)29-36-31(45)38-37-29)22-10-8-19(9-11-22)25-7-2-1-4-21(25)17-40-14-12-24(43)18-40/h1-11,16,24,43H,12-15,17-18H2,(H2,36,37,38,45)/t24-/m1/s1","6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-[3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one","2008-12-04","2021-03-13","6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-[3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one",""],["FFH","3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide","C29 H45 N5 O10 S","NCOCCOCCOCCOCCOCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1;c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN","InChI=1S/C29H45N5O10S/c30-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-11-28(35)32-12-1-2-13-44-26-7-3-24(4-8-26)33-29(36)34-25-5-9-27(10-6-25)45(31,37)38/h3-10H,1-2,11-23,30H2,(H,32,35)(H2,31,37,38)(H2,33,34,36)","","2018-06-27","2019-05-03","3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide","2019-05-08"],["FFI","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate","C43 H78 N7 O17 P3 S","CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38+,42-/m1/s1","Behenoyl-CoA; Docosanoyl-CoA","2022-04-24","2022-05-19","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate","2022-05-18"],["FFJ","2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","C10 H16 F2 N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(=O)(O)O)F)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O","InChI=1S/C10H16F2N3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6+,8+/m0/s1","","2018-03-27","2018-06-15","2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","2018-06-20"],["FFK","[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate","C28 H49 N O12 P2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C","InChI=1S/C28H49NO12P2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-38-42(34,35)41-43(36,37)40-28-25(29-23(6)31)27(33)26(32)24(18-30)39-28/h10,12,14,16,24-28,30,32-33H,7-9,11,13,15,17-18H2,1-6H3,(H,29,31)(H,34,35)(H,36,37)/b20-12-,21-14-,22-16-/t24-,25-,26-,27-,28-/m1/s1","","2018-06-27","2018-11-09","[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate","2018-11-14"],["FFL","5,5'-difluoroleucines","C6 H11 F2 N O2","N[CH](CC(CF)CF)C(O)=O;C(C(CF)CF)C(C(=O)O)N","InChI=1S/C6H11F2NO2/c7-2-4(3-8)1-5(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)/t5-/m0/s1","(2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid","2021-11-10","2024-09-27","(2~{S})-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid","2022-11-16"],["FFM","S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine","C6 H14 N O6 P S","C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(O)=O;CC(C(O)P(=O)(O)O)SCC(C(=O)O)N","InChI=1S/C6H14NO6PS/c1-3(6(10)14(11,12)13)15-2-4(7)5(8)9/h3-4,6,10H,2,7H2,1H3,(H,8,9)(H2,11,12,13)/t3-,4+,6-/m1/s1","","2009-12-08","2011-06-04","(2R)-2-azanyl-3-[(1R,2R)-1-hydroxy-1-phosphono-propan-2-yl]sulfanyl-propanoic acid",""],["FFN","5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one","C13 H9 F N2 O S","CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1;CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1","InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)","","2018-06-27","2019-01-11","5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one","2019-01-16"],["FFO","N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid","C20 H23 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O)O;NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N","InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1","[6S]-5-FORMYL-TETRAHYDROFOLATE; 6S-FOLINIC ACID","1999-07-08","2020-06-17","N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid",""],["FFP","2,6-DIFLUOROPHENOL","C6 H4 F2 O","Fc1cccc(F)c1O;Oc1c(F)cccc1F;c1cc(c(c(c1)F)O)F","InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H","","2006-10-10","2011-06-04","2,6-difluorophenol",""],["FFQ","[(1R)-1-hydroxypropyl]phosphonic acid","C3 H9 O4 P","O=P(O)(O)C(O)CC;CC[CH](O)[P](O)(O)=O;CCC(O)P(=O)(O)O","InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1","Fosfomycin, bound form","2011-02-18","2024-09-27","[(1R)-1-hydroxypropyl]phosphonic acid",""],["FFR","2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid","C30 H27 F N6 O4","OC(=O)c1ccc2nc(CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH]6CCO6)c2n1;c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4CC6CCO6)C(=O)O","InChI=1S/C30H27FN6O4/c31-23-14-19(15-32)4-5-21(23)18-41-28-3-1-2-24(34-28)20-8-11-36(12-9-20)17-27-33-25-6-7-26(30(38)39)35-29(25)37(27)16-22-10-13-40-22/h1-8,14,22H,9-13,16-18H2,(H,38,39)/t22-/m0/s1","","2020-05-11","2020-08-21","2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid","2020-08-26"],["FFS","N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine","C19 H15 Cl N4 O","n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl;Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1;c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4","InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)","","2018-03-28","2019-02-01","N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine","2019-02-06"],["FFT","(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate","C15 H27 O4 P","O=P(OCC=C(/CC/C=C(/C)CCC=C(/C)C)C)(O)O;CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C","InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-","farnesyl monophosphate","2011-11-03","2021-03-01","(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate",""],["FFU","N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide","C17 H20 F2 N2 O","CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(F)c3c2;CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C","InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)","","2020-05-11","2020-11-27","~{N}-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1~{H}-indole-2-carboxamide","2020-12-02"],["FFV","N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine","C19 H18 Cl F N4","n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4;C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2)nc3ccccc13)C4CC4;CC(C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F","InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1","","2018-03-29","2019-02-01","N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine","2019-02-06"],["FFW","4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one","C20 H16 Cl N3 O4","COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O","InChI=1S/C20H16ClN3O4/c1-11-15(10-17-19(25)23-28-22-17)16-9-14(27-2)7-8-18(16)24(11)20(26)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,23,25)","","2018-06-27","2019-05-03","4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one","2019-05-08"],["FFX","(2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL","C5 H8 F2 O4","FC1OC(F)C(O)C(O)C1O;O[CH]1[CH](O)[CH](F)O[CH](F)[CH]1O;C1(C(C(OC(C1O)F)F)O)O","InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+","","2010-10-27","2024-09-27","(2R,3S,4s,5R,6S)-2,6-difluorotetrahydro-2H-pyran-3,4,5-triol (non-preferred name)",""],["FFY","N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine","C24 H25 Cl F N5","n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C;C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CCNCC4)C5CC5;CC(C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5","InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1","","2018-03-29","2019-02-01","N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine","2019-02-06"],["FFZ","3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE","C28 H29 N3 O3","COc3ccc(C=1C2C(C(N(C(C)C)N=1)=O)CC=CC2)cc3C#CC(=O)NCc4ccccc4;COc1ccc(cc1C#CC(=O)NCc2ccccc2)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34;CC(C)N1C(=O)C2CC=CCC2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC","InChI=1S/C28H29N3O3/c1-19(2)31-28(33)24-12-8-7-11-23(24)27(30-31)22-13-15-25(34-3)21(17-22)14-16-26(32)29-18-20-9-5-4-6-10-20/h4-10,13,15,17,19,23-24H,11-12,18H2,1-3H3,(H,29,32)/t23-,24+/m0/s1","","2018-06-27","2019-07-05","N-benzyl-3-{2-methoxy-5-[(4aR,8aS)-4-oxo-3-(propan-2-yl)-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]phenyl}prop-2-ynamide","2019-07-10"],["FG0","1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]","C20 H23 N O3 S","C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1;c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2","InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2","","2020-05-11","2020-11-27","1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]","2020-12-02"],["FG1","N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID","C18 H23 Br N4 O7","O=C(Nc1ccc(cc1)CCNC(=O)C(NC(=O)CCNC(=O)CBr)CO)C(=O)O;OC[CH](NC(=O)CCNC(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O)cc1;c1cc(ccc1CCNC(=O)C(CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O","InChI=1S/C18H23BrN4O7/c19-9-15(26)20-8-6-14(25)23-13(10-24)16(27)21-7-5-11-1-3-12(4-2-11)22-17(28)18(29)30/h1-4,13,24H,5-10H2,(H,20,26)(H,21,27)(H,22,28)(H,23,25)(H,29,30)/t13-/m0/s1","","2003-04-23","2024-09-27","N-(bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide",""],["FG2","5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide","C16 H15 N3 O4 S","O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3;COc1ccc2[nH]c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cn3;Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC","InChI=1S/C16H15N3O4S/c1-10-3-6-15(17-9-10)24(21,22)19-16(20)14-8-11-7-12(23-2)4-5-13(11)18-14/h3-9,18H,1-2H3,(H,19,20)","","2009-09-04","2011-06-04","5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide",""],["FG3","(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid","C18 H17 N3 O6 S","O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cn3;Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC","InChI=1S/C18H17N3O6S/c1-11-3-6-16(19-9-11)28(25,26)20-18(24)15-8-12-7-13(27-2)4-5-14(12)21(15)10-17(22)23/h3-9H,10H2,1-2H3,(H,20,24)(H,22,23)","","2009-09-04","2011-06-04","(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid",""],["FG4","{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid","C21 H17 N O6","O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)OCc3oc2ccccc2c3;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3","InChI=1S/C21H17NO6/c1-26-15-6-7-17-14(9-15)10-18(22(17)11-20(23)24)21(25)27-12-16-8-13-4-2-3-5-19(13)28-16/h2-10H,11-12H2,1H3,(H,23,24)","","2009-09-04","2011-06-04","{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid",""],["FG5","(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid","C20 H18 N2 O6 S","O=C(O)Cn1c4ccc(OC)cc4cc1CNS(=O)(=O)c3oc2ccccc2c3;COc1ccc2n(CC(O)=O)c(CN[S](=O)(=O)c3oc4ccccc4c3)cc2c1;COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3","InChI=1S/C20H18N2O6S/c1-27-16-6-7-17-14(9-16)8-15(22(17)12-19(23)24)11-21-29(25,26)20-10-13-4-2-3-5-18(13)28-20/h2-10,21H,11-12H2,1H3,(H,23,24)","","2009-09-04","2011-06-04","(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid",""],["FG6","{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid","C20 H16 N2 O7 S","O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)NS(=O)(=O)c3oc2ccccc2c3;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4ccccc4c3;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3","InChI=1S/C20H16N2O7S/c1-28-14-6-7-15-13(8-14)9-16(22(15)11-18(23)24)20(25)21-30(26,27)19-10-12-4-2-3-5-17(12)29-19/h2-10H,11H2,1H3,(H,21,25)(H,23,24)","","2009-09-04","2011-06-04","{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid",""],["FG7","ethyl 3-aminobenzoate","C9 H11 N O2","O=C(OCC)c1cc(N)ccc1;CCOC(=O)c1cccc(N)c1;CCOC(=O)c1cccc(c1)N","InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3","","2011-02-08","2012-01-27","ethyl 3-aminobenzoate",""],["FG8","(~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide","C15 H12 Cl N O2 S","ONC(=O)C=Cc1ccccc1Sc2ccc(Cl)cc2;c1ccc(c(c1)C=CC(=O)NO)Sc2ccc(cc2)Cl","InChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-14-4-2-1-3-11(14)5-10-15(18)17-19/h1-10,19H,(H,17,18)/b10-5+","","2018-06-27","2018-08-10","(~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide","2018-08-15"],["FG9","~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine","C18 H22 N6 O","Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13;c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N","InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)","","2018-12-15","2019-02-15","~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine","2019-02-20"],["FGA","GAMMA-D-GLUTAMIC ACID","C5 H9 N O4","O=C(O)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","D-GLUTAMIC ACID","1999-07-08","2024-09-27","D-glutamic acid",""],["FGD","N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid","C21 H21 N5 O6","c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O;NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)ccc2N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N","InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1","","2018-03-29","2019-02-01","N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid","2019-02-06"],["FGE","~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide","C14 H12 N4 O4 S2","CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O;Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3","InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)","","2018-06-28","2019-02-01","~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide","2019-02-06"],["FGF","N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide","C25 H30 N8 O4","COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N;CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC","InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)","Roblitinib; FGF-401","2019-04-02","2024-09-27","~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide","2019-05-15"],["FGG","(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate","C20 H35 F O7 P2","O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C)C","InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19-","2-fluoro-geranylgeranyl diphosphate","2010-10-22","2020-06-17","(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate",""],["FGH","2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one","C27 H35 N3 O2","O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc(c45)CC(C)C;CC(C)Cc1cc(cc2CCNC(=O)c12)n3c4CN(C)CCc4c5C(=O)CC(C)(C)Cc35;CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C","InChI=1S/C27H35N3O2/c1-16(2)10-18-12-19(11-17-6-8-28-26(32)24(17)18)30-21-13-27(3,4)14-23(31)25(21)20-7-9-29(5)15-22(20)30/h11-12,16H,6-10,13-15H2,1-5H3,(H,28,32)","","2014-01-07","2014-04-04","2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one","2014-04-09"],["FGJ","(2R)-3-hydroxypropane-1,2-diyl dihexanoate","C15 H28 O5","C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O;CCCCCC(=O)OC[CH](CO)OC(=O)CCCCC;CCCCCC(=O)OCC(CO)OC(=O)CCCCC","InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m1/s1","","2018-03-29","2018-05-11","(2R)-3-hydroxypropane-1,2-diyl dihexanoate","2018-05-16"],["FGL","2-AMINOPROPANEDIOIC ACID","C3 H5 N O4","O=C(O)C(N)C(=O)O;NC(C(O)=O)C(O)=O;C(C(=O)O)(C(=O)O)N","InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)","","1999-07-08","2025-07-23","aminopropanedioic acid",""],["FGM","(2R,3R)-2-hexyl-3-hydroxytridecanoic acid","C19 H38 O3","O=C(O)C(CCCCCC)C(O)CCCCCCCCCC;CCCCCCCCCC[CH](O)[CH](CCCCCC)C(O)=O;CCCCCCCCCCC(C(CCCCCC)C(=O)O)O","InChI=1S/C19H38O3/c1-3-5-7-9-10-11-12-14-16-18(20)17(19(21)22)15-13-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m1/s1","","2011-11-01","2011-11-11","(2R,3R)-2-hexyl-3-hydroxytridecanoic acid",""],["FGN","(~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide","C16 H13 Cl2 N O3","ONC(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl;c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl","InChI=1S/C16H13Cl2NO3/c17-13-5-3-6-14(18)12(13)10-22-15-7-2-1-4-11(15)8-9-16(20)19-21/h1-9,21H,10H2,(H,19,20)/b9-8+","","2018-06-28","2018-08-10","(~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide","2018-08-15"],["FGO","[(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","C22 H28 N7 O13 P","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC(=O)NC5=O)[CH]6CC(O)(O)C[CH]36;c1nc2c(n1C3C4CC(CC4C(O3)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N","InChI=1S/C22H28N7O13P/c23-20-26-16-13(17(33)27-20)24-7-29(16)18-9-4-22(35,36)3-8(9)11(41-18)6-39-43(37,38)42-15-10(5-30)40-19(14(15)32)28-2-1-12(31)25-21(28)34/h1-2,7-11,14-15,18-19,30,32,35-36H,3-6H2,(H,37,38)(H,25,31,34)(H3,23,26,27,33)/t8-,9+,10+,11+,14+,15+,18+,19+/m0/s1","","2020-05-12","2021-03-05","[(1~{S},3~{R},3~{a}~{R},6~{a}~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3~{a},4,6,6~{a}-hexahydrocyclopenta[c]furan-1-yl]methyl [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","2021-03-10"],["FGP","2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PROPIONIC ACID","C3 H8 N O7 P","O=P(OC(O)C(N)C(=O)O)(O)O;N[CH]([CH](O)O[P](O)(O)=O)C(O)=O;C(C(O)OP(=O)(O)O)(C(=O)O)N","InChI=1S/C3H8NO7P/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H2,8,9,10)/t1-,3+/m1/s1","","2002-10-28","2024-09-27","(3S)-3-(phosphonooxy)-L-serine",""],["FGQ","7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol","C16 H12 F N O3 S","Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc23;Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F","InChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3","","2018-06-28","2018-10-05","7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol","2018-10-10"],["FGR","N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE","C8 H15 N2 O9 P","O=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNC=O;O[CH]1[CH](O)[CH](NC(=O)CNC=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)NC(=O)CNC=O)O)O)OP(=O)(O)O","InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1","","2006-07-26","2011-06-04","N-(N-formylglycyl)-5-O-phosphono-beta-D-ribofuranosylamine",""],["FGS","5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL","C8 H18 N O9 P","O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO;CC(=O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;CC(=O)NC(CO)C(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C8H18NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h5-8,10,12-14H,2-3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7+,8+/m0/s1","","2009-09-25","2011-06-04","5-(acetylamino)-5-deoxy-1-O-phosphono-L-iditol",""],["FGT","3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one","C20 H14 O4","Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4;c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O","InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H","phenolphthalein","2018-06-30","2021-03-01","3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one","2019-06-05"],["FGU","S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate","C10 H20 N2 O2 S","CC(C)C[CH](N)C(=O)SCCNC(C)=O;CC(C)CC(C(=O)SCCNC(=O)C)N","InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m0/s1","","2020-05-12","2020-11-20","~{S}-(2-acetamidoethyl) (2~{S})-2-azanyl-4-methyl-pentanethioate","2020-11-25"],["FGV","(1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]","C6 H15 O15 P3","C1(C(O)C(OP(O)(O)=O)C(O)C(C1O)OP(=O)(O)O)OP(O)(O)=O;O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O","InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6-","D-myo-inositol-1,3,5-trisphosphate","2018-03-30","2021-03-13","(1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]","2018-10-24"],["FGW","dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium","C60 H76 N21 O10","CC(C)n1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4)C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C;CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C","InChI=1S/C60H75N21O10/c1-35(2)81-21-19-62-51(81)59(90)69-40-26-46(78(9)32-40)57(88)67-38-24-44(76(7)30-38)55(86)65-36-22-42(74(5)28-36)53(84)63-16-12-14-50(83)71-48-34-80(11)52(72-48)60(91)70-41-27-47(79(10)33-41)58(89)68-39-25-45(77(8)31-39)56(87)66-37-23-43(75(6)29-37)54(85)64-18-15-49(82)61-17-13-20-73(3)4/h19,21-35H,12-18,20H2,1-11H3,(H,61,82)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,90)(H,70,91)(H,71,83)/p+1","","2018-07-03","2018-11-23","dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium","2018-11-28"],["FGX","[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium","C28 H31 B N5 O9 P S","CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O[CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6cnc7c(N)ncnc67)c3c2;[B-]12(CCc3c1cc(cc3)C(c4ccc(cc4)SCC(=O)C)O)OC5C(OC(C5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O","InChI=1S/C28H31BN5O9PS/c1-15(35)12-45-19-6-4-17(5-7-19)23(36)18-3-2-16-8-9-29(20(16)10-18)42-24-21(11-40-44(37,38)39)41-28(25(24)43-29)34-14-33-22-26(30)31-13-32-27(22)34/h2-7,10,13-14,21,23-25,28,36-39H,8-9,11-12H2,1H3,(H2,30,31,32)/t21-,23+,24-,25+,28+,29+/m0/s1","","2020-05-12","2020-12-04","[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium","2020-12-09"],["FGY","N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide","C27 H35 N5 O6","C(C(NC(C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)=O)=O)C)(NCc2ccccc2)=O;C[CH](NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NCc2ccccc2;CC(C(=O)NCc1ccccc1)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO","InChI=1S/C27H35N5O6/c1-17(23(34)28-15-18-8-6-5-7-9-18)30-26(37)21(14-22(33)29-16-27(2,3)4)31-24(35)19-10-12-20(13-11-19)25(36)32-38/h5-13,17,21,38H,14-16H2,1-4H3,(H,28,34)(H,29,33)(H,30,37)(H,31,35)(H,32,36)/t17-,21-/m0/s1","","2018-03-30","2018-11-02","N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide","2018-11-07"],["FGZ","3,5-dichloro-4-hydroxybenzoic acid","C7 H4 Cl2 O3","O=C(c1cc(Cl)c(O)c(Cl)c1)O;OC(=O)c1cc(Cl)c(O)c(Cl)c1;c1c(cc(c(c1Cl)O)Cl)C(=O)O","InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)","","2016-05-17","2017-03-31","3,5-dichloro-4-hydroxybenzoic acid","2017-04-05"],["FH0","~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine","C26 H28 N8 O","CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc4c6cccnc6)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5","InChI=1S/C26H28N8O/c1-32-11-13-33(14-12-32)21-6-4-20(5-7-21)29-26-28-10-8-22(30-26)24-23-18-35-16-15-34(23)31-25(24)19-3-2-9-27-17-19/h2-10,17H,11-16,18H2,1H3,(H,28,29,30)","","2020-05-13","2021-02-26","~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine","2021-03-03"],["FH1","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide","C37 H50 N6 O9 S","C3(CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C)(C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O)NS(C6(CC6)C)(=O)=O)=O;COc1ccc2nc(C)c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC4CCCC4)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C37H50N6O9S/c1-8-22-19-37(22,33(46)42-53(48,49)36(6)15-16-36)41-30(44)28-18-25(51-31-21(2)38-26-14-13-24(50-7)17-27(26)39-31)20-43(28)32(45)29(35(3,4)5)40-34(47)52-23-11-9-10-12-23/h8,13-14,17,22-23,25,28-29H,1,9-12,15-16,18-20H2,2-7H3,(H,40,47)(H,41,44)(H,42,46)/t22-,25-,28+,29-,37-/m1/s1","","2018-03-30","2018-08-03","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide","2018-08-08"],["FH2","(1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol","C7 H11 F O4","OCC1=C[CH](O)[CH](F)[CH](O)[CH]1O;C1=C(C(C(C(C1O)F)O)O)CO","InChI=1S/C7H11FO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,4-7,9-12H,2H2/t4-,5-,6-,7+/m0/s1","","2018-07-04","2018-08-17","(1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol","2018-08-22"],["FH3","(S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide","C18 H22 Cl N7 O","O=C(NCC4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C;Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[CH](CNC(C)=O)C4)c3n2;Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CCC(C4)CNC(=O)C","InChI=1S/C18H22ClN7O/c1-10-13(9-25(3)24-10)17-22-15-16(14(19)7-21-18(15)23-17)26-5-4-12(8-26)6-20-11(2)27/h7,9,12H,4-6,8H2,1-3H3,(H,20,27)(H,21,22,23)/t12-/m0/s1","","2013-07-19","2014-09-05","N-({(3S)-1-[6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrrolidin-3-yl}methyl)acetamide","2013-11-20"],["FH4","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide","C39 H54 N6 O9 S","C5(C(NC1(C(/C=C)C1)C(=O)NS(C2(CC2)C)(=O)=O)=O)CC(Oc4c(nc3ccc(cc3n4)OC)C(C)C)CN5C(=O)C(C(C)(C)C)NC(OC6CCCC6)=O;COc1ccc2nc(C(C)C)c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1;CC(C)c1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC4CCCC4)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C39H54N6O9S/c1-9-23-20-39(23,35(48)44-55(50,51)38(7)16-17-38)43-32(46)29-19-26(53-33-30(22(2)3)40-27-15-14-25(52-8)18-28(27)41-33)21-45(29)34(47)31(37(4,5)6)42-36(49)54-24-12-10-11-13-24/h9,14-15,18,22-24,26,29,31H,1,10-13,16-17,19-21H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t23-,26-,29+,31-,39-/m1/s1","","2018-03-30","2018-08-03","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide","2018-08-08"],["FH5","(S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide","C17 H20 Cl N7 O","O=C(NC4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C;Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[CH](C4)NC(C)=O)c3n2;Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CCC(C4)NC(=O)C","InChI=1S/C17H20ClN7O/c1-9-12(8-24(3)23-9)16-21-14-15(13(18)6-19-17(14)22-16)25-5-4-11(7-25)20-10(2)26/h6,8,11H,4-5,7H2,1-3H3,(H,20,26)(H,19,21,22)/t11-/m0/s1","","2013-07-19","2014-09-05","N-{(3S)-1-[6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrrolidin-3-yl}acetamide","2013-11-20"],["FH6","(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal","C8 H14 N2 O2 S","C[CH]1NC(=O)C[CH]1SC[CH](N)C=O;CC1C(CC(=O)N1)SCC(C=O)N","InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1","","2023-07-19","2024-07-10","(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal","2024-05-08"],["FH7","N^5^-formyl-N^5^-hydroxy-D-ornithine","C6 H12 N2 O4","O=C(O)C(N)CCCN(O)C=O;N[CH](CCCN(O)C=O)C(O)=O;C(CC(C(=O)O)N)CN(C=O)O","InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m1/s1","","2008-12-20","2024-09-27","N~5~-formyl-N~5~-hydroxy-D-ornithine",""],["FH8","5-carboxy methylrhodamine","C25 H23 N2 O5","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O)=O)C(O)=O)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O","InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1","","2018-07-04","2019-07-12","[9-(2,4-dicarboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2019-07-17"],["FH9","(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid","C21 H40 N4 O4","CC(C)CCNC(=O)[CH](CC1CCCCC1)NC(=O)N[CH](CCCCN)C(O)=O;CC(C)CCNC(=O)C(CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O","InChI=1S/C21H40N4O4/c1-15(2)11-13-23-19(26)18(14-16-8-4-3-5-9-16)25-21(29)24-17(20(27)28)10-6-7-12-22/h15-18H,3-14,22H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18+/m0/s1","","2015-03-27","2015-05-29","(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid","2015-06-03"],["FHA","2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine","C11 H17 F N5 O11 P3","O=P(O)(O)OP(=O)(O)C(F)P(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)[CH](F)[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(C(F)P(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C11H17FN5O11P3/c12-11(30(21,22)28-31(23,24)25)29(19,20)26-2-6-5(18)1-7(27-6)17-4-16-8-9(13)14-3-15-10(8)17/h3-7,11,18H,1-2H2,(H,19,20)(H,21,22)(H2,13,14,15)(H2,23,24,25)/t5-,6+,7+,11-/m0/s1","","2011-09-07","2012-03-16","2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine",""],["FHB","3-FLUORO-4-HYDROXYBENZOIC ACID","C7 H5 F O3","Fc1cc(C(=O)O)ccc1O;OC(=O)c1ccc(O)c(F)c1;c1cc(c(cc1C(=O)O)F)O","InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)","","1999-07-08","2011-06-04","3-fluoro-4-hydroxybenzoic acid",""],["FHC","2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE","C9 H6 F O3","[O-]C(=O)C(/F)=Cc1ccc(O)cc1;Oc1ccc(cc1)C=C(F)C([O-])=O;c1cc(ccc1C=C(C(=O)[O-])F)O","InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+","(E)-2-FLUORO-P-HYDROXYCINNAMATE","1999-07-08","2021-03-01","(2E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate",""],["FHD","3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide","C36 H49 Cl N6 O9 S","C1(CC(CN1C(C(C(C)(C)C)NC(=O)OCCCCC)=O)Oc3c(nc2ccc(cc2n3)OC)Cl)C(NC4(C(/C=C)C4)C(NS(C5(CC5)C)(=O)=O)=O)=O;CCCCCOC(=O)N[CH](C(=O)N1C[CH](C[CH]1C(=O)N[C]2(C[CH]2C=C)C(=O)N[S](=O)(=O)C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C)(C)C;CCCCCOC(=O)NC(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C","InChI=1S/C36H49ClN6O9S/c1-8-10-11-16-51-33(47)40-27(34(3,4)5)31(45)43-20-23(52-30-28(37)38-24-13-12-22(50-7)17-25(24)39-30)18-26(43)29(44)41-36(19-21(36)9-2)32(46)42-53(48,49)35(6)14-15-35/h9,12-13,17,21,23,26-27H,2,8,10-11,14-16,18-20H2,1,3-7H3,(H,40,47)(H,41,44)(H,42,46)/t21-,23-,26+,27-,36-/m1/s1","","2018-03-30","2018-08-03","3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide","2018-08-08"],["FHE","2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C22 H20 N4 O7","CC(=O)[CH](N)C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2)C(=O)N1CC(O)=O;CC(=O)C(C1=NC(=Cc2ccc(cc2)OCc3ccccc3[N+](=O)[O-])C(=O)N1CC(=O)O)N","InChI=1S/C22H20N4O7/c1-13(27)20(23)21-24-17(22(30)25(21)11-19(28)29)10-14-6-8-16(9-7-14)33-12-15-4-2-3-5-18(15)26(31)32/h2-10,20H,11-12,23H2,1H3,(H,28,29)/b17-10-/t20-/m0/s1","","2018-07-06","2024-09-27","2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2019-04-24"],["FHF","N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide","C19 H28 F N3 O4","O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C;CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1ccccc1F)C(C)C;CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccccc1F","InChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1","","2011-10-20","2012-06-22","1-(2-fluorophenyl)-3-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]urea",""],["FHG","2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine","C11 H17 F N5 O12 P3","O=P(O)(O)C(F)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H17FN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10-/m0/s1","","2012-02-10","2012-06-08","2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["FHH","methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate","C14 H18 N2 O4","COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O;COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O","InChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19)","","2018-07-06","2024-09-27","methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate","2019-01-30"],["FHI","2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID","C13 H7 F2 I O3","Ic2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O;OC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F;c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O","InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)","IODODIFLUNISAL","2004-12-09","2020-06-17","2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-carboxylic acid",""],["FHJ","dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","C25 H27 N O5","c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C;COC(=O)[CH]1[CH]2O[C](C=C2)([CH](Cc3ccc(C)cc3)Nc4ccccc4)[CH]1C(=O)OC;Cc1ccc(cc1)CC(C23C=CC(O2)C(C3C(=O)OC)C(=O)OC)Nc4ccccc4","InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1","","2018-04-02","2024-09-27","dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","2019-01-16"],["FHK","4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid","C21 H14 N2 O6 S","OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1;c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O","InChI=1S/C21H14N2O6S/c24-19-17-3-1-2-4-18(17)20(25)23(19)15-9-11-16(12-10-15)30(28,29)22-14-7-5-13(6-8-14)21(26)27/h1-12,22H,(H,26,27)","","2018-07-06","2019-05-30","4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid","2019-06-05"],["FHL","(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE","C11 H20 N2 O5","O=C(O)C(N)CCCC/N=C(/CO)CCC(=O)O;N[CH](CCCCN=C(CO)CCC(O)=O)C(O)=O;C(CCN=C(CCC(=O)O)CO)CC(C(=O)O)N","InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1","2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID","2005-09-11","2024-09-27","(E)-N~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-L-lysine",""],["FHM","S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE","C17 H14 F4 N2 O5","FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(COc2ccc(F)cc2)C;C[C](O)(COc1ccc(F)cc1)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O;CC(COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O","InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1","","2005-09-08","2011-06-04","(2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide",""],["FHN","(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM","C7 H16 N O5","OC1C(CO)[NH2+]C(C(O)C1O)CO;OC[CH]1[NH2+][CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C([NH2+]1)CO)O)O)O)O","InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1","","2009-10-20","2011-06-04","(2S,3R,5R,6S)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium",""],["FHO","N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE","C6 H12 N2 O4","O=C(O)C(N)CCCN(O)C=O;N[CH](CCCN(O)C=O)C(O)=O;C(CC(C(=O)O)N)CN(C=O)O","InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m0/s1","","2008-10-14","2024-09-27","N~5~-formyl-N~5~-hydroxy-L-ornithine",""],["FHP","1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID","C15 H27 O4 P","O=P(O)(O)C(O)/C=C(/CCC=C(/C)CCC=C(/C)C)C;CC(C)=CCCC(C)=CCCC(C)=C[CH](O)[P](O)(O)=O;CC(=CCCC(=CCCC(=CC(O)P(=O)(O)O)C)C)C","InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1","FARNESYL HYDROXYPHOSPHONATE","1999-07-08","2020-06-17","[(1R,2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phosphonic acid",""],["FHQ","~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide","C10 H9 Br N6 O","Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2;c1cc(ccc1C=NNC(=O)Cc2n[nH]nn2)Br","InChI=1S/C10H9BrN6O/c11-8-3-1-7(2-4-8)6-12-15-10(18)5-9-13-16-17-14-9/h1-4,6H,5H2,(H,15,18)(H,13,14,16,17)/b12-6+","","2018-07-10","2020-01-24","~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide","2020-01-29"],["FHR","~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide","C25 H32 N4 O4","O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3;c1ccc2c(c1)cc([nH]2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCNC4=O)C=O","InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1","","2020-05-14","2024-09-27","~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide","2020-05-27"],["FHS","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","C30 H44 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc3ccccc3)C1)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4","InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28-/m0/s1","","2021-12-15","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-12-22"],["FHT","[[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium","C10 H11 Br N7 O2","[NH3+]NC(=O)[CH](NC(=O)c1ccc(Br)cc1)c2n[nH]nn2;c1cc(ccc1C(=O)NC(c2n[nH]nn2)C(=O)N[NH3+])Br","InChI=1S/C10H10BrN7O2/c11-6-3-1-5(2-4-6)9(19)13-7(10(20)14-12)8-15-17-18-16-8/h1-4,7H,12H2,(H,13,19)(H,14,20)(H,15,16,17,18)/p+1/t7-/m1/s1","","2018-07-10","2020-01-24","[[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium","2020-01-29"],["FHU","(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE","C9 H14 F N2 O10 P","O=P(OCC1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O;O[CH]1NC(=O)NC(=O)[C]1(F)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C(C1C(C(C(O1)C2(C(NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O","InChI=1S/C9H14FN2O10P/c10-9(6(15)11-8(17)12-7(9)16)5-4(14)3(13)2(22-5)1-21-23(18,19)20/h2-6,13-15H,1H2,(H2,18,19,20)(H2,11,12,16,17)/t2-,3-,4-,5-,6-,9+/m1/s1","","2001-11-02","2024-09-27","(1R)-1,4-anhydro-1-[(4R,5S)-5-fluoro-4-hydroxy-2,6-dioxohexahydropyrimidin-5-yl]-5-O-phosphono-D-ribitol",""],["FHV","N-(3-METHYLPHENYL)PYRROLIDINE-1-CARBOXAMIDE","C12 H16 N2 O","O=C(Nc1cc(ccc1)C)N2CCCC2;Cc1cccc(NC(=O)N2CCCC2)c1;Cc1cccc(c1)NC(=O)N2CCCC2","InChI=1S/C12H16N2O/c1-10-5-4-6-11(9-10)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)","","2015-01-22","2015-05-01","N-(3-methylphenyl)pyrrolidine-1-carboxamide","2015-05-06"],["FHW","(2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide","C10 H12 N6 O","NNC(=O)[CH](Cc1ccccc1)c2n[nH]nn2;c1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN","InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1","","2018-07-10","2020-01-24","(2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide","2020-01-29"],["FHX","3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile","C16 H18 N6 O","C[CH]1CN(C(=O)CC#N)[C]12CCN(C2)c3ncnc4[nH]ccc34;CC1CN(C12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N","InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1","","2020-05-14","2020-06-19","3-[(3~{S},4~{R})-3-methyl-7-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile","2020-06-24"],["FHY","(2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid","C20 H32 N2 O13","CC(=O)NC2C(OC)OC1COC(OC1C2OC3OC(CO)C(C(C3NC(C)=O)O)O)(C)C(O)=O;CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(C(OC1OC2C(C(OC3C2OC(OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O","InChI=1S/C20H32N2O13/c1-7(24)21-11-14(27)13(26)9(5-23)32-18(11)34-16-12(22-8(2)25)17(30-4)33-10-6-31-20(3,19(28)29)35-15(10)16/h9-18,23,26-27H,5-6H2,1-4H3,(H,21,24)(H,22,25)(H,28,29)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,20+/m1/s1","","2018-04-02","2018-08-10","(2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid","2018-08-15"],["FHZ","(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide","C11 H14 N6 O2","COc1ccc(C[CH](C(=O)NN)c2n[nH]nn2)cc1;COc1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN","InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1","","2018-07-10","2020-01-24","(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide","2020-01-29"],["FI0","(2R,3S)-3-amino-1-{[(2S)-2-methylbutyl]amino}-4-phenylbutan-2-ol","C15 H26 N2 O","OC(C(N)Cc1ccccc1)CNCC(C)CC;CC[CH](C)CNC[CH](O)[CH](N)Cc1ccccc1;CCC(C)CNCC(C(Cc1ccccc1)N)O","InChI=1S/C15H26N2O/c1-3-12(2)10-17-11-15(18)14(16)9-13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,3,9-11,16H2,1-2H3/t12-,14-,15+/m0/s1","","2011-06-06","2012-06-01","(2R,3S)-3-amino-1-{[(2S)-2-methylbutyl]amino}-4-phenylbutan-2-ol",""],["FI1","6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide","C28 H29 Cl N4 O5 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6;Clc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH]3CCCN(CC(=O)N4C[CH]5C[CH](C4)C6=CC=CC(=O)N6C5)C3=O;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCCN(C3=O)CC(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5","InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1","","2011-07-15","2011-11-11","6-chloro-N-[(3S)-2-oxo-1-{2-oxo-2-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}piperidin-3-yl]naphthalene-2-sulfonamide",""],["FI3","N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide","C34 H38 Cl2 N8 O4","Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)cc5;CCC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c3cc(Nc4ccc(cc4)N5CCN(C)CC5)ncn3)cc1;CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl","InChI=1S/C34H38Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h6-13,18-19,21H,5,14-17,20H2,1-4H3,(H,40,45)(H,41,46)(H,37,38,39)","","2014-09-02","2024-09-27","N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide","2014-10-29"],["FI4","(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol","C20 H16 Cl F2 N5 O2","Fc4ccc(Oc1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)c4;C[CH](O)CNc1nc(Oc2ccc(F)cc2F)nc3[nH]nc(c4ccccc4Cl)c13;CC(CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O","InChI=1S/C20H16ClF2N5O2/c1-10(29)9-24-18-16-17(12-4-2-3-5-13(12)21)27-28-19(16)26-20(25-18)30-15-7-6-11(22)8-14(15)23/h2-8,10,29H,9H2,1H3,(H2,24,25,26,27,28)/t10-/m0/s1","","2008-12-11","2011-06-04","(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol",""],["FI5","4-piperidin-4-yloxypyridine-2-carboxamide","C11 H15 N3 O2","NC(=O)c1cc(OC2CCNCC2)ccn1;c1cnc(cc1OC2CCNCC2)C(=O)N","InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)","","2022-01-24","2022-09-23","4-piperidin-4-yloxypyridine-2-carboxamide","2022-09-28"],["FI6","N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide","C32 H28 F3 N5 O4","CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5;CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2C(C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F","InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1","(+/-)-AMG 487 ","2023-07-20","2023-11-24","~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide","2023-11-29"],["FI7","2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid","C19 H22 N4 O5","CC(C)(Cc1onc(n1)c2ccc(O)cn2)C(=O)NC3=C(CCCC3)C(O)=O;CC(C)(Cc1nc(no1)c2ccc(cn2)O)C(=O)NC3=C(CCCC3)C(=O)O","InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)","","2022-04-26","2023-02-17","2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid","2023-02-22"],["FI8","Fidaxomicin","C52 H74 Cl2 O18","CC[CH]1C=C(C)[CH](O)CC=CC=C(CO[CH]2O[CH](C)[CH](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[CH](O)[CH]2OC)C(=O)O[CH](CC=C(C)C=C(C)[CH]1O[CH]4OC(C)(C)[CH](OC(=O)C(C)C)[CH](O)[CH]4O)[CH](C)O;CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)OC2C(OC(C(C2O)OC)OCC3=CC=CCC(C(=CC(C(C(=CC(=CCC(OC3=O)C(C)O)C)C)OC4C(C(C(C(O4)(C)C)OC(=O)C(C)C)O)O)CC)C)O)C","InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1","","2017-12-20","2018-02-23","[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(3~{E},5~{E},8~{S},9~{E},11~{S},12~{R},13~{E},15~{E},18~{S})-12-[(2~{R},3~{S},4~{R},5~{S})-6,6-dimethyl-5-(2-methylpropanoyloxy)-3,4-bis(oxidanyl)oxan-2-yl]oxy-11-ethyl-9,13,15-trimethyl-8-oxidanyl-18-[(1~{R})-1-oxidanylethyl]-2-oxidanylidene-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-5-methoxy-2-methyl-4-oxidanyl-oxan-3-yl] 3,5-bis(chloranyl)-2-ethyl-4,6-bis(oxidanyl)benzoate","2018-02-28"],["FI9","5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one","C11 H15 N3 O2","NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2;C1CN(CCC1N)C(=O)C2=CNC(=O)C=C2","InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15)","","2022-01-24","2022-09-23","5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one","2022-09-28"],["FIB","1,2,3,4,5-pentafluoro-6-iodobenzene","C6 F5 I","Fc1c(F)c(F)c(F)c(I)c1F;Fc1c(F)c(F)c(I)c(F)c1F;c1(c(c(c(c(c1F)F)I)F)F)F","InChI=1/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9","","2008-07-16","2009-08-04","1,2,3,4,5-pentafluoro-6-iodobenzene",""],["FIC","5-fluoroindole-2-carboxylic acid","C9 H6 F N O2","Fc1cc2c(cc1)nc(c2)C(=O)O;OC(=O)c1[nH]c2ccc(F)cc2c1;c1cc2c(cc1F)cc([nH]2)C(=O)O","InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)","","2008-07-25","2011-06-04","5-fluoro-1H-indole-2-carboxylic acid",""],["FID","(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE","C12 H10 F N3 O4","Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1;c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3","InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1","FIDARESTAT","2000-02-14","2020-06-17","(2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide",""],["FIE","(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride","C24 H22 Cl F N4 O3 S","O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2Cc3cccnc3C2)cc1Cl;F[S](=O)(=Nc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc3)N4Cc5cccnc5C4;c1ccc(cc1)C2CN(CCO2)C(=O)c3ccc(cc3Cl)N=S(=O)(N4Cc5cccnc5C4)F","InChI=1S/C24H22ClFN4O3S/c25-21-13-19(28-34(26,32)30-14-18-7-4-10-27-22(18)15-30)8-9-20(21)24(31)29-11-12-33-23(16-29)17-5-2-1-3-6-17/h1-10,13,23H,11-12,14-16H2/t23-,34-/m1/s1","","2023-04-07","2024-05-31","(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride","2024-06-05"],["FIF","2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid","C6 H9 F O5","FC1C(O)C(O)C(OC1)C(=O)O;O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O;C1C(C(C(C(O1)C(=O)O)O)O)F","InChI=1S/C6H9FO5/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,8-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1","2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form","2013-05-07","2024-09-27","2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid","2013-09-18"],["FIG","6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid","C13 H10 N2 O4 S","C(SC1=NC=C(C(O)=O)C(N1)=O)C(=O)c2ccccc2;OC(=O)C1=CN=C(NC1=O)SCC(=O)c2ccccc2;c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O","InChI=1S/C13H10N2O4S/c16-10(8-4-2-1-3-5-8)7-20-13-14-6-9(12(18)19)11(17)15-13/h1-6H,7H2,(H,18,19)(H,14,15,17)","","2016-03-17","2017-03-24","6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid","2017-03-29"],["FIH","5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID","C18 H14 F N O4 S2","O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1)C)c3ccc(F)cc3;Cc1ccc(cc1)[S](=O)(=O)Nc2cc(sc2C(O)=O)c3ccc(F)cc3;Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F","InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)","5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI","2005-10-06","2021-03-01","5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid",""],["FII","[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID","C17 H30 N O5 P","O=C(NOCC=C(/C)CCC=C(/C)CCC=C(/C)C)CP(=O)(O)O;CC(C)=CCCC(C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O;CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)(O)O)C)C)C","InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+","FPP ANALOG","1999-10-27","2021-03-01","[2-oxo-2-({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}amino)ethyl]phosphonic acid",""],["FIJ","4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol","C18 H18 Cl2 O4","CC1(C)C[C](C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O;CC1(CC(Oc2c1cc(c(c2)O)Cl)(C)c3cc(c(cc3O)O)Cl)C","InChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3/t18-/m0/s1","","2015-12-14","2016-12-09","4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol","2016-12-14"],["FIK","(1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H40 N4 O9 S","O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)C(=O)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C","InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22-/m0/s1","","2021-12-15","2024-09-27","(1S,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["FIL","(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME","C15 H20 N2 O4","COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O;CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC","InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+","FILAMINAST","2004-11-17","2020-06-17","[1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino] carbamate",""],["FIN","(1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID","C17 H22 N O6 P S","O=P(O)(O)C(NS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C;COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C)C)[P](O)(O)=O;CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O","InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1","","2005-06-07","2011-06-04","[(1R)-1-{[(4'-methoxybiphenyl-4-yl)sulfonyl]amino}-2-methylpropyl]phosphonic acid",""],["FIO","N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine","C7 H14 F N3 O2","O=C(O)C(N)CCCNC(=[N@H])CF;N[CH](CCCNC(=N)CF)C(O)=O;C(CC(C(=O)O)N)CNC(=N)CF","InChI=1S/C7H14FN3O2/c8-4-6(10)11-3-1-2-5(9)7(12)13/h5H,1-4,9H2,(H2,10,11)(H,12,13)/t5-/m0/s1","","2012-02-17","2024-09-27","N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine",""],["FIP","5-FLUOROINDOLE PROPANOL PHOSPHATE","C11 H13 F N O4 P","Fc1cc2c(cc1)ncc2CCCOP(=O)(O)O;O[P](O)(=O)OCCCc1c[nH]c2ccc(F)cc12;c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O","InChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)","","1999-07-08","2011-06-04","3-(5-fluoro-1H-indol-3-yl)propyl dihydrogen phosphate",""],["FIQ","6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione","C8 H10 N2 O2","CN1C(=O)NC(=CC1=O)C2CC2;CN1C(=O)C=C(NC1=O)C2CC2","InChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)","","2022-01-24","2022-08-22","6-cyclopropyl-3-methyl-1~{H}-pyrimidine-2,4-dione","2022-03-16"],["FIR","(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE","C12 H10 F N3 O4","Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1;c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3","InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1","FIDARESTAT(STEREOISOMER)","2004-08-24","2021-03-01","(2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide",""],["FIS","(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE","C12 H10 F N3 O4","Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1;c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3","InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1","FIDARESTAT(STEREOISOMER)","2004-08-24","2021-03-01","(2S,4R)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide",""],["FIT","(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide","C23 H36 N2 O2","O=C(NC(C)(C)C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C;CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC(=O)C=C[C]4(C)[CH]3CC[C]12C;CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C","InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1","FINASTERIDE","2009-02-11","2021-03-01","(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide",""],["FIV","naphthalene-2-carboxylic acid","C11 H8 O2","O=C(O)c2ccc1c(cccc1)c2;OC(=O)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)C(=O)O","InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)","2-naphthoic acid","2012-04-10","2020-06-17","naphthalene-2-carboxylic acid","2013-02-15"],["FIW","(1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H40 N4 O9 S","O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)C(=O)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C","InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22+/m0/s1","","2021-12-15","2024-09-27","(1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["FIX","D-fructuronic acid","C6 H8 O7","O=C(O)C(O)C(O)C(O)C(=O)C=O;O[CH]([CH](O)C(O)=O)[CH](O)C(=O)C=O;C(=O)C(=O)C(C(C(C(=O)O)O)O)O","InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1","D-Fructuronate","2009-05-26","2021-03-01","D-fructosuronic acid",""],["FIY","2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine","C13 H17 N5 O S","CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2;CCc1c(c([nH]c1c2csc(n2)N=C(N)N)C)C(=O)C","InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18)","","2022-01-24","2022-09-23","2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine","2022-09-28"],["FIZ","2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one","C22 H25 Cl2 N5 O2","C[CH]1OCC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O)N3C)[CH]1N;CC1C(C2(CCN(CC2)C3=Nn4ccc(c4C(=O)N3C)c5cccc(c5Cl)Cl)CO1)N","InChI=1S/C22H25Cl2N5O2/c1-13-19(25)22(12-31-13)7-10-28(11-8-22)21-26-29-9-6-15(18(29)20(30)27(21)2)14-4-3-5-16(23)17(14)24/h3-6,9,13,19H,7-8,10-12,25H2,1-2H3/t13-,19-/m0/s1","","2022-04-28","2023-02-10","2-[(3~{S},4~{R})-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one","2023-02-15"],["FJ0","2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide","C24 H25 N7 O5","Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6;Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CCC(C5)O)nc(o4)N6CCOCC6","InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1","","2020-05-14","2020-11-20","2-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide","2020-11-25"],["FJ1","6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one","C10 H11 F3 N2 O","FC(F)(F)c2nnc1c2C(=O)CC(C1)(C)C;CC1(C)CC(=O)c2c(C1)[nH]nc2C(F)(F)F;CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C","InChI=1S/C10H11F3N2O/c1-9(2)3-5-7(6(16)4-9)8(15-14-5)10(11,12)13/h3-4H2,1-2H3,(H,14,15)","","2012-11-15","2013-05-10","6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one","2013-05-15"],["FJ2","N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide","C18 H15 Cl N2 O5","Clc3c(O)cc(O)c(c1noc(c1c2ccc(OC)cc2)NC(=O)C)c3;COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Cl)c(O)cc3O;CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC","InChI=1S/C18H15ClN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)","","2013-08-16","2014-07-25","N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide","2014-07-30"],["FJ3","4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol","C12 H14 N2 O3","n1oc(cc1c2c(O)cc(O)c(c2)C(C)C)N;CC(C)c1cc(c(O)cc1O)c2cc(N)on2;CC(C)c1cc(c(cc1O)O)c2cc(on2)N","InChI=1S/C12H14N2O3/c1-6(2)7-3-8(11(16)5-10(7)15)9-4-12(13)17-14-9/h3-6,15-16H,13H2,1-2H3","","2013-08-16","2014-07-25","4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol","2014-07-30"],["FJ4","1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone","C15 H13 Cl O4","Clc1cc(c(O)cc1O)C(=O)Cc2ccc(OC)cc2;COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1;COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl","InChI=1S/C15H13ClO4/c1-20-10-4-2-9(3-5-10)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3","","2013-08-16","2014-07-25","1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone","2014-07-30"],["FJ5","N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide","C27 H31 N3 O5","O=C(Nc2onc(c1c(O)cc(O)c(c1)C(C)C)c2c3ccc(cc3)CN4CCOCC4)C5CC5;CC(C)c1cc(c(O)cc1O)c2noc(NC(=O)C3CC3)c2c4ccc(CN5CCOCC5)cc4;CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5","InChI=1S/C27H31N3O5/c1-16(2)20-13-21(23(32)14-22(20)31)25-24(27(35-29-25)28-26(33)19-7-8-19)18-5-3-17(4-6-18)15-30-9-11-34-12-10-30/h3-6,13-14,16,19,31-32H,7-12,15H2,1-2H3,(H,28,33)","","2013-08-19","2014-07-25","N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide","2014-07-30"],["FJ6","N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide","C23 H24 N2 O5","O=C(Nc2onc(c1c(O)cc(O)c(c1)C(C)C)c2c3ccc(OC)cc3)C4CC4;COc1ccc(cc1)c2c(NC(=O)C3CC3)onc2c4cc(C(C)C)c(O)cc4O;CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC","InChI=1S/C23H24N2O5/c1-12(2)16-10-17(19(27)11-18(16)26)21-20(13-6-8-15(29-3)9-7-13)23(30-25-21)24-22(28)14-4-5-14/h6-12,14,26-27H,4-5H2,1-3H3,(H,24,28)","","2013-08-19","2014-07-25","N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide","2014-07-30"],["FJ7","(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid","C30 H31 F N4 O3","c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F;COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[CH]4N[CH](Cc5c4[nH]c6ccccc56)C(O)=O;COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)C4c5c(c6ccccc6[nH]5)CC(N4)C(=O)O","InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m1/s1","","2018-04-02","2018-09-14","(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid","2018-09-19"],["FJ8","~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide","C11 H12 N6 O","Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2;Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2","InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)/b12-7+","","2018-07-10","2020-01-24","~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide","2020-01-29"],["FJ9","N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide","C22 H19 N5 O3","O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5;c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5","InChI=1S/C22H19N5O3/c28-21(19-3-1-2-17(25-19)15-6-8-23-9-7-15)24-16-4-5-18-20(14-16)30-22(26-18)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,28)","","2020-05-14","2020-11-20","~{N}-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide","2020-11-25"],["FJA","Fusicoccin J aglycone","C21 H34 O4","O(C)CC3C2=CC1(C(=C(C(C)C)CC1O)C(O)C(O)C(C2CC3)C)C;COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)C(C)C;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC","InChI=1S/C21H34O4/c1-11(2)15-8-17(22)21(4)9-16-13(10-25-5)6-7-14(16)12(3)19(23)20(24)18(15)21/h9,11-14,17,19-20,22-24H,6-8,10H2,1-5H3/b16-9-/t12-,13-,14+,17+,19-,20-,21+/m1/s1","(1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclop\nenta[a,d][8]annulene-1,4,5-triol","2011-07-06","2020-06-17","(1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulene-1,4,5-triol",""],["FJB","[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium","C14 H20 N7 O2","[NH3+]NC(=O)[CH](NC(=O)CCCCc1ccccc1)c2n[nH]nn2;c1ccc(cc1)CCCCC(=O)NC(c2n[nH]nn2)C(=O)N[NH3+]","InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1","","2018-07-10","2020-01-24","[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium","2020-01-29"],["FJC","~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide","C25 H25 F N4 O4","Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1;c1ccc2c(c1)cc([nH]2)C(=O)NC(Cc3cccc(c3)F)C(=O)NC(CC4CCNC4=O)C=O","InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19-,21-/m0/s1","","2020-05-14","2024-09-27","~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide","2020-05-27"],["FJD","3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM","C22 H28 Cl N4 O3 S","C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4oc(cn4)c5sc(Cl)cc5;C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4ncc(o4)c5ccc(s5)Cl","InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)17-13-6-4-9-25(13)19(18(17)22(26)29)20-24-12-14(30-20)15-7-8-16(23)31-15/h7-8,12-13,17-19H,4-6,9-11H2,1-3H3/q+1/t13-,17-,18-,19+/m0/s1","","2011-01-13","2011-12-23","3-[(3aS,4R,5S,8aS,8bR)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium",""],["FJE","[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone","C14 H8 Cl F2 N3 O","Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23;c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F","InChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20)","","2018-07-11","2018-11-23","[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone","2018-11-28"],["FJF","5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione","C9 H12 N2 O6","OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O;C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CO)O)O","InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1","","2020-05-20","2020-11-13","5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione","2020-11-18"],["FJG","trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid","C30 H36 F3 N3 O4 S","c2(C1(C)CC1)cc(cc(C(NC(C)C(F)(F)F)=O)c2)c4c(nc(C(NC3CC(C3)C(O)=O)=O)s4)CC5CCCCC5;C[CH](NC(=O)c1cc(cc(c1)C2(C)CC2)c3sc(nc3CC4CCCCC4)C(=O)N[CH]5C[CH](C5)C(O)=O)C(F)(F)F;CC(C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5","InChI=1S/C30H36F3N3O4S/c1-16(30(31,32)33)34-25(37)19-11-18(12-21(13-19)29(2)8-9-29)24-23(10-17-6-4-3-5-7-17)36-27(41-24)26(38)35-22-14-20(15-22)28(39)40/h11-13,16-17,20,22H,3-10,14-15H2,1-2H3,(H,34,37)(H,35,38)(H,39,40)/t16-,20-,22-/m1/s1","","2018-04-03","2018-04-20","trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid","2018-04-25"],["FJH","~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide","C27 H23 N3 O4","Cc1ccc2cc(ccc2n1)C(=O)Nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C;Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5","InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)","","2018-07-11","2018-11-23","~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide","2018-11-28"],["FJI","3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide","C34 H31 F N4 O5","Fc1ccc(Nc2ccc3C(=O)c4cc(ccc4COc3c2)C(=O)NCCN5CCOCC5)cc1NC(=O)c6ccccc6;c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6","InChI=1S/C34H31FN4O5/c35-29-11-9-25(19-30(29)38-34(42)22-4-2-1-3-5-22)37-26-8-10-27-31(20-26)44-21-24-7-6-23(18-28(24)32(27)40)33(41)36-12-13-39-14-16-43-17-15-39/h1-11,18-20,37H,12-17,21H2,(H,36,41)(H,38,42)","","2017-01-11","2017-09-01","3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide","2017-09-06"],["FJJ","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","C32 H52 N2 O10","C(COC1OC(CO)C(O)C(C1O)O)(C(O)C(CCCC(=O)N=[C@H]CCCc2ccccc2)O)NC(CCCCCCC)=O;CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)N=CCCCc2ccccc2;CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)N=CCCCc2ccccc2)O)O","InChI=1S/C32H52N2O10/c1-2-3-4-5-9-17-27(38)34-23(21-43-32-31(42)30(41)29(40)25(20-35)44-32)28(39)24(36)16-12-18-26(37)33-19-11-10-15-22-13-7-6-8-14-22/h6-8,13-14,19,23-25,28-32,35-36,39-42H,2-5,9-12,15-18,20-21H2,1H3,(H,34,38)/b33-19+/t23-,24+,25+,28-,29-,30-,31+,32-/m0/s1","","2018-04-03","2019-03-29","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","2019-04-03"],["FJK","1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea","C37 H41 N9 O3","O=C(Nc1cc(COCc2cn(CCNC3=C4C=CC=CC4=N[CH]5CCCC[CH]35)nn2)ccn1)Nc6cccc7C(=O)N8CCCC[CH]8c67;c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)C8CCCCN8C2=O","InChI=1S/C37H41N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,27,30,32,39H,2,4-6,9,12,14,17-19,22-23H2,(H2,38,41,42,48)/t27?,30?,32-/m1/s1","","2018-07-12","2019-05-10","1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea","2019-05-15"],["FJL","(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","C36 H54 O10","CC1(C)[CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)O[CH]6O[CH]([CH](O)[CH](O)[CH]6O)C(O)=O;CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C","InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21-,22-,23-,24-,25+,26-,27+,29+,32+,33-,34-,35+,36+/m0/s1","","2020-05-22","2021-05-07","(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2021-05-12"],["FJM","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(8-phenyloctyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","C36 H62 N2 O10","C1(O)C(OC(C(C1O)O)OCC(C(C(CCCC(=O)NCCCCCCCCc2ccccc2)O)O)NC(=O)CCCCCCC)CO;CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCCCc2ccccc2;CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCCCc2ccccc2)O)O","InChI=1S/C36H62N2O10/c1-2-3-4-7-14-21-31(42)38-27(25-47-36-35(46)34(45)33(44)29(24-39)48-36)32(43)28(40)20-16-22-30(41)37-23-15-9-6-5-8-11-17-26-18-12-10-13-19-26/h10,12-13,18-19,27-29,32-36,39-40,43-46H,2-9,11,14-17,20-25H2,1H3,(H,37,41)(H,38,42)/t27-,28+,29+,32-,33-,34-,35+,36-/m0/s1","","2018-04-05","2019-04-05","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(8-phenyloctyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","2019-04-10"],["FJN","[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium","C38 H45 N10 O2","C[NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC[CH]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[CH]8CCCC[CH]68)nn5;C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8","InChI=1S/C38H44N10O2/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49/h2,4,8-9,11-12,14,16-17,21,24,28,31,33,40H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H2,39,42,43,50)/p+1/t28?,31?,33-/m0/s1","","2018-07-12","2019-05-10","[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium","2019-05-15"],["FJO","propane-1,1,1,3-tetrol","C3 H8 O4","OCCC(O)(O)O;C(CO)C(O)(O)O","InChI=1S/C3H8O4/c4-2-1-3(5,6)7/h4-7H,1-2H2","","2020-05-22","2020-09-11","propane-1,1,1,3-tetrol","2020-09-16"],["FJP","(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate","C15 H27 O4 P","O=P(OC/C=C(/CC/C=C(/C)CCC=C(/C)C)C)(O)O;CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C","InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11+","","2010-10-21","2024-09-27","(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate",""],["FJQ","Tioconazole","C16 H13 Cl3 N2 O S","Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1;c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl","InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m0/s1","","2018-07-12","2019-02-15","1-[(2~{R})-2-[(2-chloranylthiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole","2019-02-20"],["FJR","2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide","C17 H14 N2 O3","Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)cc1;Cc1ccc(cc1)NC(=O)C2=Cc3cccc(c3OC2=N)O","InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16-","8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide","2020-05-27","2021-03-01","2-azanylidene-~{N}-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide","2020-09-23"],["FJS","N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide","C29 H23 N3 O5","c1cc(ccc1OC)c2c(onc2c5cc(c3c4c(cnc3)cccc4)c(cc5O)O)NC(C6CC6)=O;COc1ccc(cc1)c2c(NC(=O)C3CC3)onc2c4cc(c(O)cc4O)c5cncc6ccccc56;COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6","InChI=1S/C29H23N3O5/c1-36-19-10-8-16(9-11-19)26-27(32-37-29(26)31-28(35)17-6-7-17)22-12-21(24(33)13-25(22)34)23-15-30-14-18-4-2-3-5-20(18)23/h2-5,8-15,17,33-34H,6-7H2,1H3,(H,31,35)","","2015-07-09","2016-07-08","N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide","2016-07-13"],["FJT","~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide","C18 H13 Cl F N3 O4","Fc1ccc(Cc2oc(nn2)C(=O)NCc3ccc4OCOc4c3)c(Cl)c1;c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2","InChI=1S/C18H13ClFN3O4/c19-13-7-12(20)3-2-11(13)6-16-22-23-18(27-16)17(24)21-8-10-1-4-14-15(5-10)26-9-25-14/h1-5,7H,6,8-9H2,(H,21,24)","","2018-07-13","2018-08-24","~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide","2018-08-29"],["FJU","2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide","C18 H16 N2 O3","CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1;CCc1cccc(c1)NC(=O)C2=Cc3cccc(c3OC2=N)O","InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17-","N-(3-ethylphenyl)-8-hydroxy-2-imino-2H-chromene-3-carboxamide","2020-05-27","2021-03-01","2-azanylidene-~{N}-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide","2020-09-23"],["FJV","4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine","C20 H25 N7 O S","C1COCCN1c3c2CCCCc2c4c(n3)sc5c4nnnc5N6CCNCC6;C1CCc2c(C1)c(nc3sc4c(nnnc4c23)N5CCNCC5)N6CCOCC6;C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1","InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2","5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline","2018-04-05","2021-03-13","5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline","2019-04-17"],["FJW","5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine","C20 H17 F N6","Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc4F)c5ncccc35;c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ncc(c(n4)N)C5CC5)F","InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)","BAY 41-2272","2023-07-25","2024-05-24","5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine","2024-05-29"],["FJX","2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol","C13 H9 Br Cl N5 O3","Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1;c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O","InChI=1S/C13H9BrClN5O3/c14-6-2-8-7(22-4-23-8)1-5(6)3-20-11-9(17-13(20)21)10(15)18-12(16)19-11/h1-2H,3-4H2,(H,17,21)(H2,16,18,19)","","2020-05-27","2021-05-21","2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol","2021-05-26"],["FJY","4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline","C29 H29 F N4 O","Fc6ccc2c(nc(c1cccnc1)c(c2N5c4cc(N3CCOCC3)ccc4C(C)(C)C5)C)c6;Cc1c(nc2cc(F)ccc2c1N3CC(C)(C)c4ccc(cc34)N5CCOCC5)c6cccnc6;Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C","InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3","","2012-06-20","2012-10-19","4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline","2012-10-19"],["FJZ","N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide","C15 H24 N4 S","S=C(NC1CCCCC1)N3CCC(c2cncn2)CC3;S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3;c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3","InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)","","2010-04-01","2011-06-04","N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide",""],["FK0","2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol","C12 H8 Br Cl F N5 O","Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1;c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O","InChI=1S/C12H8BrClFN5O/c13-6-2-1-5(7(15)3-6)4-20-10-8(17-12(20)21)9(14)18-11(16)19-10/h1-3H,4H2,(H,17,21)(H2,16,18,19)","","2020-05-27","2021-05-21","2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol","2021-05-26"],["FK1","6-bromo-1H-indole","C8 H6 Br N","Brc1ccc2c(c1)ncc2;Brc1ccc2cc[nH]c2c1;c1cc(cc2c1cc[nH]2)Br","InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H","","2014-07-02","2015-02-27","6-bromo-1H-indole","2015-03-04"],["FK2","3-oxidanylidenepropanoic acid","C3 H4 O3","OC(=O)CC=O;C(C=O)C(=O)O","InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)","","2018-07-14","2019-01-18","3-oxidanylidenepropanoic acid","2019-01-23"],["FK3","(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide","C18 H29 N3 O4","CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[CH](O)C(=O)NC3CC3;CCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3CCCC3CN2C=O","InChI=1S/C18H29N3O4/c1-2-4-14(16(23)18(25)19-12-7-8-12)20-17(24)15-13-6-3-5-11(13)9-21(15)10-22/h10-16,23H,2-9H2,1H3,(H,19,25)(H,20,24)/t11-,13-,14-,15-,16+/m0/s1","","2020-05-28","2020-07-24","(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide","2020-07-29"],["FK4","S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1H-pyrrole-2-carbothioate","C16 H26 N3 O7 P S","OP(OCC(C)(C)C(O)C(NCCC(=O)NCCSC(=O)c1cccn1)=O)=O;CC(C)(CO[PH](O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1[nH]ccc1;CC(C)(COP(=O)O)C(C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O","InChI=1S/C16H26N3O7PS/c1-16(2,10-26-27(24)25)13(21)14(22)19-7-5-12(20)18-8-9-28-15(23)11-4-3-6-17-11/h3-4,6,13,17,21,27H,5,7-10H2,1-2H3,(H,18,20)(H,19,22)(H,24,25)/t13-/m0/s1","","2018-04-05","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1H-pyrrole-2-carbothioate","2019-01-16"],["FK5","8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN","C44 H69 N O12","O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC=C;CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC=C)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC;CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC","InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1","K506","1999-07-08","2021-03-01","(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",""],["FK8","(phenylmethyl) carbamate","C8 H9 N O2","NC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)N","InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)","","2018-07-16","2018-08-31","(phenylmethyl) carbamate","2018-09-05"],["FK9","3-(propylsulfanyl)propyl alpha-D-mannopyranoside","C12 H24 O6 S","O(CCCSCCC)C1OC(C(O)C(O)C1O)CO;CCCSCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCSCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C12H24O6S/c1-2-5-19-6-3-4-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1","PROPYL THIOPROPYL ALPHA-D-MANNOPYRANOSIDE; 3-(propylsulfanyl)propyl alpha-D-mannoside; 3-(propylsulfanyl)propyl\nD-mannoside; 3-(propylsulfanyl)propyl mannoside","2012-05-26","2020-07-17","3-(propylsulfanyl)propyl alpha-D-mannopyranoside",""],["FKA","BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER","C51 H76 N2 O14","O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CCOC(=O)NCc5ccccc5;CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CCOC(=O)NCc5ccccc5)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC;CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CCOC(=O)NCc4ccccc4)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC","InChI=1S/C51H76N2O14/c1-30-22-31(2)24-43(63-7)46-44(64-8)26-33(4)51(61,67-46)47(57)48(58)53-20-13-12-16-38(53)49(59)66-45(32(3)25-36-17-18-39(54)42(27-36)62-6)34(5)40(55)28-41(56)37(23-30)19-21-65-50(60)52-29-35-14-10-9-11-15-35/h9-11,14-15,23,25,31,33-34,36-40,42-46,54-55,61H,12-13,16-22,24,26-29H2,1-8H3,(H,52,60)/b30-23+,32-25+/t31-,33+,34+,36-,37+,38-,39+,40-,42+,43-,44-,45+,46+,51+/m0/s1","","1999-07-08","2011-06-04","2-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,7,20,21-tetraoxo-1,4,5,6,7,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-8-yl]ethyl benzylcarbamate",""],["FKB","(2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide","C14 H19 N9 O","NC(=O)[CH](Cc1nn2c(N)nc(NC3CCCCC3)nc2n1)C#N;C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)CC(C#N)C(=O)N)N","InChI=1S/C14H19N9O/c15-7-8(11(16)24)6-10-19-14-21-13(20-12(17)23(14)22-10)18-9-4-2-1-3-5-9/h8-9H,1-6H2,(H2,16,24)(H3,17,18,19,20,21,22)/t8-/m1/s1","","2018-07-16","2019-05-10","(2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide","2019-05-15"],["FKC","(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","C28 H48 O3","C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CC(C)(C)O)C)C","InChI=1S/C28H48O3/c1-18(6-11-25(29)30)22-9-10-23-21-8-7-20-16-19(17-26(2,3)31)12-14-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3,(H,29,30)/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1","","2020-05-29","2021-01-15","(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid","2021-01-20"],["FKD","3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid","C9 H15 F O9","O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO;OC[CH](O)[CH](O)[CH]1O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O;C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O","InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1","3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid; 3-deoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;\n3-deoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid","2005-09-13","2024-09-27","3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid",""],["FKE","4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide","C18 H20 N2 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3;c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)","","2018-07-17","2018-12-14","4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide","2018-12-19"],["FKF","(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","C28 H48 O3","C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CC(C)(C)O)C)C","InChI=1S/C28H48O3/c1-18(6-11-25(29)30)22-9-10-23-21-8-7-20-16-19(17-26(2,3)31)12-14-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3,(H,29,30)/t18-,19+,20-,21+,22-,23+,24+,27+,28-/m1/s1","","2020-05-29","2021-01-15","(4~{R})-4-[(3~{S},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid","2021-01-20"],["FKG","3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C16 H15 F3 N4 O2","c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(C)=N3)CO;C[CH](n1nc(CO)c2C(=O)NC(=Nc12)C)c3ccc(cc3)C(F)(F)F;CC1=Nc2c(c(nn2C(C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1","InChI=1S/C16H15F3N4O2/c1-8(10-3-5-11(6-4-10)16(17,18)19)23-14-13(12(7-24)22-23)15(25)21-9(2)20-14/h3-6,8,24H,7H2,1-2H3,(H,20,21,25)/t8-/m0/s1","","2018-04-06","2018-09-14","3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2018-09-19"],["FKH","N-(6-AMINO-1-(3-METHYLBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE","C19 H20 N4 O4 S","CN(C1=C(N)N(Cc2cccc(C)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N","InChI=1S/C19H20N4O4S/c1-13-7-6-8-14(11-13)12-23-17(20)16(18(24)21-19(23)25)22(2)28(26,27)15-9-4-3-5-10-15/h3-11H,12,20H2,1-2H3,(H,21,24,25)","","2016-01-19","2017-02-17","N-[6-azanyl-1-[(3-methylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide","2017-02-22"],["FKI","5,5-DI-FLUORO-2-KETO-3-AMINOPENTANOIC ACID","C5 H7 F2 N O3","O=C(C(=O)O)C(N)CC(F)F;N[CH](CC(F)F)C(=O)C(O)=O;C(C(C(=O)C(=O)O)N)C(F)F","InChI=1S/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1","","2000-02-01","2011-06-04","(3S)-3-amino-5,5-difluoro-2-oxopentanoic acid",""],["FKJ","3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","C15 H13 F3 N4 O3","c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(N3)=O)CO;C[CH](n1nc(CO)c2C(=O)NC(=O)Nc12)c3ccc(cc3)C(F)(F)F;CC(c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3","InChI=1S/C15H13F3N4O3/c1-7(8-2-4-9(5-3-8)15(16,17)18)22-12-11(10(6-23)21-22)13(24)20-14(25)19-12/h2-5,7,23H,6H2,1H3,(H2,19,20,24,25)/t7-/m0/s1","","2018-04-06","2018-09-14","3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","2018-09-19"],["FKK","4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide","C18 H20 F N3 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3;c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F","InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)","","2018-07-17","2018-12-14","4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide","2018-12-19"],["FKL","N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide","C24 H27 N5 O3","O=C(NC1CC1)c2cc(c(cc2)C)C=4C(=O)N(c3nc(ncc3C=4)NC5CCOCC5)C;CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)c4cc(ccc4C)C(=O)NC5CC5;Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5","InChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28)","","2008-12-18","2011-06-04","N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide",""],["FKM","N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide","C21 H29 N3 O6 S","C[CH](N[S](=O)(=O)CCCOCN1C=CC(=O)NC1=O)c2cccc(OC3CCCC3)c2;CC(c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O","InChI=1S/C21H29N3O6S/c1-16(17-6-4-9-19(14-17)30-18-7-2-3-8-18)23-31(27,28)13-5-12-29-15-24-11-10-20(25)22-21(24)26/h4,6,9-11,14,16,18,23H,2-3,5,7-8,12-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1","","2016-11-04","2017-10-27","3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxy]-~{N}-[(1~{R})-1-(3-cyclopentyloxyphenyl)ethyl]propane-1-sulfonamide","2017-11-01"],["FKN","3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine","C18 H11 Cl F2 N4 O3 S","O=S(=O)(c4cc(c2nnc1nc(ncc12)Oc3ccc(F)cc3F)c(Cl)cc4)C;C[S](=O)(=O)c1ccc(Cl)c(c1)c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23;CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl","InChI=1S/C18H11ClF2N4O3S/c1-29(26,27)10-3-4-13(19)11(7-10)16-12-8-22-18(23-17(12)25-24-16)28-15-5-2-9(20)6-14(15)21/h2-8H,1H3,(H,22,23,24,25)","","2008-12-18","2011-06-04","3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine",""],["FKO","3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole","C19 H12 Cl F N2 O","Fc4ccccc4Oc3ccc1c(nnc1c2ccccc2Cl)c3;Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl;c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl","InChI=1S/C19H12ClFN2O/c20-15-6-2-1-5-13(15)19-14-10-9-12(11-17(14)22-23-19)24-18-8-4-3-7-16(18)21/h1-11H,(H,22,23)","","2008-12-18","2011-06-04","3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole",""],["FKP","METHYLPIPERAZINOFORSKOLIN","C30 H50 N2 O7","O=C3CC(OC4(C(OC(=O)CCCCN1CCN(C)CC1)C(O)C2C(CCC(O)C2(C)C34O)(C)C)C)(C=C)C;CN1CCN(CCCCC(=O)O[CH]2[CH](O)[CH]3C(C)(C)CC[CH](O)[C]3(C)[C]4(O)C(=O)C[C](C)(O[C]24C)C=C)CC1;CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C","InChI=1S/C30H50N2O7/c1-8-27(4)19-21(34)30(37)28(5)20(33)12-13-26(2,3)24(28)23(36)25(29(30,6)39-27)38-22(35)11-9-10-14-32-17-15-31(7)16-18-32/h8,20,23-25,33,36-37H,1,9-19H2,2-7H3/t20-,23-,24-,25-,27-,28-,29+,30-/m0/s1","","1999-07-08","2011-06-04","(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl 5-(4-methylpiperazin-1-yl)pentanoate",""],["FKQ","4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide","C18 H20 N2 O4 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3;c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O","InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)","","2018-07-18","2018-12-14","4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide","2018-12-19"],["FKR","4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","C18 H14 F N3 O4","CNc1cc(F)cc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12;CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F","InChI=1S/C18H14FN3O4/c1-20-14-8-11(19)6-10-7-13(17(24)22-15(10)14)16(23)21-12-4-2-9(3-5-12)18(25)26/h2-8,20H,1H3,(H,21,23)(H,22,24)(H,25,26)","","2020-05-29","2020-10-09","4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","2020-10-14"],["FKS","7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol","C10 H21 F3 N2 O2","C(N)CCNCCCCCC(C(F)(F)F)(O)O;NCCCNCCCCCC(O)(O)C(F)(F)F;C(CCC(C(F)(F)F)(O)O)CCNCCCN","InChI=1S/C10H21F3N2O2/c11-10(12,13)9(16,17)5-2-1-3-7-15-8-4-6-14/h15-17H,1-8,14H2","","2015-05-18","2015-07-24","7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol","2015-07-29"],["FKT","4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide","C35 H33 F3 N8 O3","CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4C=CC1=Nn34)c(C)c(c2)C(=O)Nc5cc(cc(c5)C(F)(F)F)n6cnc(C)c6;Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3cc4cc(c3C)C#Cc5cnc6n5nc(cc6)N(CCNC(=O)CCCCO4)C)C(F)(F)F","InChI=1S/C35H33F3N8O3/c1-22-20-45(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-34(48)30-18-29-14-24(23(30)2)7-8-27-19-40-31-9-10-32(43-46(27)31)44(3)12-11-39-33(47)6-4-5-13-49-29/h9-10,14-21H,4-6,11-13H2,1-3H3,(H,39,47)(H,42,48)","","2022-04-28","2022-05-27","","2022-06-01"],["FKU","4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","C21 H22 F N5 O4","CNc1cc(F)cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(O)=O;CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F","InChI=1S/C21H22FN5O4/c1-24-15-10-12(22)9-14-17(15)27-20(29)16(18(14)25-8-2-7-23)19(28)26-13-5-3-11(4-6-13)21(30)31/h3-6,9-10,24H,2,7-8,23H2,1H3,(H,26,28)(H,30,31)(H2,25,27,29)","","2020-05-29","2020-10-09","4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","2020-10-14"],["FKV","3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","C16 H12 F6 N4 O2","c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(N3)=O)CC(F)(F)F;C[CH](n1nc(CC(F)(F)F)c2C(=O)NC(=O)Nc12)c3ccc(cc3)C(F)(F)F;CC(c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3","InChI=1S/C16H12F6N4O2/c1-7(8-2-4-9(5-3-8)16(20,21)22)26-12-11(13(27)24-14(28)23-12)10(25-26)6-15(17,18)19/h2-5,7H,6H2,1H3,(H2,23,24,27,28)/t7-/m0/s1","","2018-04-06","2018-09-14","3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","2018-09-19"],["FKW","2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide","C17 H14 N4 O4","Oc1cc(ccc1[N+]([O-])=O)C=NNC(=O)Cc2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)CC(=O)NN=Cc3ccc(c(c3)O)[N+](=O)[O-]","InChI=1S/C17H14N4O4/c22-16-7-11(5-6-15(16)21(24)25)9-19-20-17(23)8-12-10-18-14-4-2-1-3-13(12)14/h1-7,9-10,18,22H,8H2,(H,20,23)/b19-9+","","2018-07-18","2019-07-12","2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide","2019-07-17"],["FKX","3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid","C12 H14 N2 O3","O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1;CC(C)CN1C(=O)Nc2ccc(cc12)C(O)=O;CC(C)CN1c2cc(ccc2NC1=O)C(=O)O","InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16)","","2023-07-20","2023-12-01","3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid","2023-12-06"],["FKY","2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide","C24 H23 F4 N5 O4","c1n(C)cnc1c2cc(c(nc2)OC4C(CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC4)F)C(=O)N;Cn1cnc(c1)c2cnc(O[CH]3CCN(C[CH]3F)C(=O)Cc4ccc(OC(F)(F)F)cc4)c(c2)C(N)=O;Cn1cc(nc1)c2cc(c(nc2)OC3CCN(CC3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N","InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1","","2018-04-09","2018-06-15","2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide","2018-06-20"],["FKZ","octan-1-amine","C8 H19 N","CCCCCCCCN;CCCCCCCCN","InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3","","2018-07-18","2024-09-27","octan-1-amine","2019-07-24"],["FL0","2-bromanyl-1-phenyl-ethanone","C8 H7 Br O","BrCC(=O)c1ccccc1;c1ccc(cc1)C(=O)CBr","InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2","","2020-06-01","2024-09-27","2-bromanyl-1-phenyl-ethanone","2020-12-30"],["FL1","5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID","C29 H23 N3 O7 S2","O=S(=O)(N)c1ccc(cc1)CCNC(=S)Nc5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5;N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)C3=C4C=CC(=O)C=C4Oc5cc(O)ccc35)cc1;c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N","InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)","(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN","2005-11-18","2020-06-17","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)benzoic acid",""],["FL2","FLURBIPROFEN METHYL ESTER","C16 H15 F O2","Fc2cc(ccc2c1ccccc1)C(C(=O)OC)C;COC(=O)[CH](C)c1ccc(c(F)c1)c2ccccc2;CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC","InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1","","2001-01-02","2011-06-04","methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate",""],["FL3","1-naphthalen-2-ylethanone","C12 H10 O","CC(=O)c1ccc2ccccc2c1;CC(=O)c1ccc2ccccc2c1","InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3","","2020-06-01","2024-09-27","1-naphthalen-2-ylethanone","2020-12-30"],["FL4","6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine","C18 H12 F2 N4 O","Fc4ccc(Oc1ncc2c(n1)nnc2c3ccccc3C)c(F)c4;Cc1ccccc1c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23;Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F","InChI=1S/C18H12F2N4O/c1-10-4-2-3-5-12(10)16-13-9-21-18(22-17(13)24-23-16)25-15-7-6-11(19)8-14(15)20/h2-9H,1H3,(H,21,22,23,24)","","2008-12-19","2011-06-04","6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine",""],["FL5","12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium","C25 H31 N8","CCn1nnc2c3ccc(cc3c4n(CC)nnc4c5ccc(cc5c12)N(C)C)[N+](C)(C)C;CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C","InChI=1S/C25H31N8/c1-8-31-24-20-14-16(30(3)4)10-12-18(20)22-25(32(9-2)29-26-22)21-15-17(33(5,6)7)11-13-19(21)23(24)27-28-31/h10-15H,8-9H2,1-7H3/q+1/b22-18+,23-19+,24-20+,25-21+","","2018-07-19","2024-09-27","","2019-07-31"],["FL6","(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid","C5 H9 N O4","COC(=O)C[CH](N)C(O)=O;COC(=O)CC(C(=O)O)N","InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m0/s1","","2020-06-02","2024-09-27","(2~{S})-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid","2020-09-02"],["FL7","Flurazepam","C21 H23 Cl F N3 O","Fc3ccccc3C2=NCC(=O)N(c1ccc(Cl)cc12)CCN(CC)CC;CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13;CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl","InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3","","2011-12-07","2014-05-02","7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one","2012-10-12"],["FL8","6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE","C16 H10 Br2 O4","Brc3cc(C=2Oc1ccc(O)cc1C(=O)C=2C)cc(Br)c3O;CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3;CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br","InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3","","2001-11-28","2011-06-04","2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-chromen-4-one",""],["FL9","3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE","C15 H8 Br2 O6","Brc1cc(c(O)c(Br)c1O)C=C3/Oc2cc(O)cc(O)c2C3=O;Oc1cc(O)c2C(=O)C(Oc2c1)=Cc3cc(Br)c(O)c(Br)c3O;c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O","InChI=1S/C15H8Br2O6/c16-7-1-5(13(20)12(17)14(7)21)2-10-15(22)11-8(19)3-6(18)4-9(11)23-10/h1-4,18-21H/b10-2-","","1999-07-08","2011-06-04","(2Z)-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one",""],["FLA","TRIFLUOROALANINE","C3 H4 F3 N O2","FC(F)(F)C(N)C(=O)O;N[CH](C(O)=O)C(F)(F)F;C(C(=O)O)(C(F)(F)F)N","InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1","","1999-07-19","2024-09-27","3,3,3-trifluoro-D-alanine",""],["FLB","1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene","C12 H12 F6 O2","FC(F)(F)c1cc(OCCOCC)cc(c1)C(F)(F)F;CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F;CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F","InChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3","","2013-02-19","2024-09-27","1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene","2013-03-13"],["FLC","CITRATE ANION","C6 H5 O7","O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-];OC(CC([O-])=O)(CC([O-])=O)C([O-])=O;C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O","InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3","","1999-07-08","2011-06-04","2-hydroxypropane-1,2,3-tricarboxylate",""],["FLD","BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE","C42 H48 N6 O2","O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CC[NH2+]CCCCCC[NH2+]CC[n+]5cc8c(cc5)ccc7c8c6c(ccc(OC)c6)n7)C;COc1ccc2[nH]c3ccc4cc[n+](CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)cc4c3c2c1;COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC","InChI=1S/C42H44N6O2/c1-49-31-9-13-37-33(25-31)41-35-27-47(21-15-29(35)7-11-39(41)45-37)23-19-43-17-5-3-4-6-18-44-20-24-48-22-16-30-8-12-40-42(36(30)28-48)34-26-32(50-2)10-14-38(34)46-40/h7-16,21-22,25-28,43-44H,3-6,17-20,23-24H2,1-2H3/p+4","FLEXI-DI","1999-07-08","2020-06-17","2,2'-[hexane-1,6-diylbis(ammonioethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)",""],["FLE","FUROYL-LEUCINE","C11 H15 N O4","O=C(NC(C(=O)O)CC(C)C)c1occc1;CC(C)C[CH](NC(=O)c1occc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)c1ccco1","InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1","","1999-07-08","2011-06-04","N-(furan-2-ylcarbonyl)-L-leucine",""],["FLF","2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID","C14 H10 F3 N O2","FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O;OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F;c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F","InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)","FLUFENAMIC ACID","1999-07-08","2020-06-17","2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid",""],["FLG","FLUORESCEINYLTHIOUREIDO","C23 H18 N2 O5 S","S=C(NCC)Nc4ccc(C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3)c(C(=O)O)c4;CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24;CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O","InChI=1S/C23H18N2O5S/c1-2-24-23(31)25-12-3-6-15(18(9-12)22(28)29)21-16-7-4-13(26)10-19(16)30-20-11-14(27)5-8-17(20)21/h3-11,26H,2H2,1H3,(H,28,29)(H2,24,25,31)","","2003-02-07","2011-06-04","5-[(ethylcarbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid",""],["FLH","FORMALDEHYDE","C H2 O","O=C;C=O;C=O","InChI=1/CH2O/c1-2/h1H2","METHANAL; OXOMETHANE; OXYMETHYLENE; METHYLENE OXIDE; FORMIC ALDEHYDE; METHYL ALDEHYDE","2003-07-11","2020-05-27","formaldehyde",""],["FLI","(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,28R)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one","C35 H58 O9","CCCCCC[CH]1[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C(=CC=CC=CC=CC=CC[CH](C)OC1=O)C;CCCCCCC1C(CC(CC(CC(CC(CC(CC(C(=CC=CC=CC=CC=CCC(OC1=O)C)C)O)O)O)O)O)O)O","InChI=1S/C35H58O9/c1-4-5-6-15-18-32-34(42)24-31(40)22-29(38)20-27(36)19-28(37)21-30(39)23-33(41)25(2)16-13-11-9-7-8-10-12-14-17-26(3)44-35(32)43/h7-14,16,26-34,36-42H,4-6,15,17-24H2,1-3H3/b9-7+,10-8+,13-11+,14-12+,25-16+/t26-,27+,28-,29+,30-,31+,32-,33+,34+/m1/s1","Filipin I","2009-12-09","2021-03-01","(3R,5E,7E,9E,11E,13E,15S,17R,19R,21R,23S,25S,27S,28R)-28-hexyl-15,17,19,21,23,25,27-heptahydroxy-3,14-dimethyl-2-oxacyclooctacosa-5,7,9,11,13-pentaen-1-one",""],["FLJ","(3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone","C21 H20 F N7 O2","n5c(Nc1c(cc(cc1)C(N2CCOCC2)=O)F)c4ncc(c3cnnc3)n4cc5C;Cc1cn2c(cnc2c(Nc3ccc(cc3F)C(=O)N4CCOCC4)n1)c5c[nH]nc5;Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5","InChI=1S/C21H20FN7O2/c1-13-12-29-18(15-9-24-25-10-15)11-23-20(29)19(26-13)27-17-3-2-14(8-16(17)22)21(30)28-4-6-31-7-5-28/h2-3,8-12H,4-7H2,1H3,(H,24,25)(H,26,27)","","2018-04-09","2018-06-15","(3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone","2018-06-20"],["FLK","3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide","C6 H12 Cl N4 O","ClCCC(=O)NNC1=[NH+]CCN1;C1C[NH+]=C(N1)NNC(=O)CCCl","InChI=1S/C6H11ClN4O/c7-2-1-5(12)10-11-6-8-3-4-9-6/h1-4H2,(H,10,12)(H2,8,9,11)/p+1","","2018-07-19","2018-08-03","3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide","2018-08-08"],["FLL","OCTAHEDRAL RU-PYRIDOCARBAZOLE","C30 H18 Cl F N5 O4 Ru","OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+];c1ccc(cc1)N2CC3=[N]([Ru]24(N5C=C(C=C6C5=C7[N]4=C8C=CC(=CC8=C7C9=C6C(=O)NC9=O)O)F)(C#O)Cl)C=CC=C3","InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12;1-2;;/h1-5H,(H3,19,20,21,22,23,24);1-9H,10H2;;1H;/q;-1;;;+3/p-2","","2009-01-29","2023-09-23","",""],["FLM","3-FLUORO-2-METHYL-ANILINE","C7 H8 F N","Fc1cccc(N)c1C;Cc1c(N)cccc1F;Cc1c(cccc1F)N","InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3","","2003-03-27","2011-06-04","3-fluoro-2-methylaniline",""],["FLN","2-PHENYL-4H-CHROMEN-4-ONE","C15 H10 O2","O=C1c3c(OC(=C1)c2ccccc2)cccc3;O=C1C=C(Oc2ccccc12)c3ccccc3;c1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H","FLAVONE","2006-02-15","2020-06-17","2-phenyl-4H-chromen-4-one",""],["FLO","FLUORO GROUP","F","F;[F];[F-]","InChI=1/FH/h1H","","1999-07-08","2008-10-14","hydrogen fluoride",""],["FLP","FLURBIPROFEN","C15 H13 F O2","Fc2cc(ccc2c1ccccc1)C(C(=O)O)C;C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2;CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O","InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-(2-fluorobiphenyl-4-yl)propanoic acid",""],["FLQ","N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXAMIDE","C29 H28 N2 O7","O=C(NCCCCCCNC(=O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc(O)ccc23)cc5)C;CC(=O)NCCCCCCNC(=O)c1ccc2C(=O)OC3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1;CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O","InChI=1S/C29H28N2O7/c1-17(32)30-12-4-2-3-5-13-31-27(35)18-6-9-21-24(14-18)29(38-28(21)36)22-10-7-19(33)15-25(22)37-26-16-20(34)8-11-23(26)29/h6-11,14-16,33-34H,2-5,12-13H2,1H3,(H,30,32)(H,31,35)","FLUORESCEIN ADDUCT","2006-01-23","2021-03-01","N-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide",""],["FLR","(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid","C15 H13 F O2","C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2;CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O","InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1","Flurbirprofen, R-form","2011-03-29","2020-06-17","(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid",""],["FLS","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C18 H18 F2 N4 O4 S","O=S(=O)(C)CC(Nc1ncc3c(n1)N(C(=O)C(Oc2ccc(F)cc2F)=C3)C)C;C[CH](C[S](C)(=O)=O)Nc1ncc2C=C(Oc3ccc(F)cc3F)C(=O)N(C)c2n1;CC(CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C","InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m1/s1","","2008-12-29","2011-06-04","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one",""],["FLT","FLUOROMALONYL TYROSINE","C12 H12 F N O7","FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O;N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F","InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1","","1999-08-25","2024-09-27","{4-[(2S)-2-amino-2-carboxyethyl]phenoxy}(fluoro)propanedioic acid",""],["FLU","2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID","C20 H12 O5","O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3;OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24;c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O","InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)","FLUORESCEIN","1999-07-08","2020-06-17","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid",""],["FLV","FLAVIOLIN","C10 H6 O5","O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2;Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1;c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O","InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H","2,5,7-TRIHYDROXYNAPHTHOQUINONE","2004-06-14","2020-06-17","2,5,7-trihydroxynaphthalene-1,4-dione",""],["FLW","6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one","C19 H20 F2 N4 O4","Fc3ccc(OC2=Cc1c(nc(nc1)NC(CCO)CCO)N(C2=O)C)c(F)c3;CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F;CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F","InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)","","2008-12-30","2011-06-04","6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one",""],["FLX","N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-PHOSPHONIC ACID","C21 H26 N3 O6 P","O=C(NC(C(=O)NC(Cc2c1ccccc1nc2)P(=O)(O)O)CC(C)C)c3occc3;CC(C)C[CH](NC(=O)c1occc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)[P](O)(O)=O;CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3","InChI=1S/C21H26N3O6P/c1-13(2)10-17(23-21(26)18-8-5-9-30-18)20(25)24-19(31(27,28)29)11-14-12-22-16-7-4-3-6-15(14)16/h3-9,12-13,17,19,22H,10-11H2,1-2H3,(H,23,26)(H,24,25)(H2,27,28,29)/t17-,19+/m0/s1","","1999-07-08","2011-06-04","[(1R)-1-{[N-(furan-2-ylcarbonyl)-L-leucyl]amino}-2-(1H-indol-3-yl)ethyl]phosphonic acid",""],["FLY","6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one","C17 H16 F2 N4 O2","Fc3ccc(OC2=Cc1c(nc(nc1)NC(C)C)N(C2=O)C)c(F)c3;CC(C)Nc1ncc2C=C(Oc3ccc(F)cc3F)C(=O)N(C)c2n1;CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C","InChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22)","","2008-12-30","2011-06-04","6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one",""],["FLZ","8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C19 H20 N4 O3","O=C3N(c1nc(ncc1C=C3Oc2ccccc2)NC4CCOCC4)C;CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccccc4;CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4","InChI=1S/C19H20N4O3/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22)","","2008-12-30","2011-06-04","8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one",""],["FM0","(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid","C6 H13 F O10 P2","O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O;OC(=O)C[C](O)(CF)CCO[P](O)(=O)O[P](O)(O)=O;C(COP(=O)(O)OP(=O)(O)O)C(CC(=O)O)(CF)O","InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1","6-fluoromevalonate 5-diphosphate","2011-02-24","2021-03-01","(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid",""],["FM1","2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL","C11 H15 N5 O4","OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC;CNc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O;CNc1c2c(c(n[nH]2)C3C(C(C(O3)CO)O)O)ncn1","InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1","N7-METHYL-FORMYCIN A","2001-11-12","2020-06-17","(1S)-1,4-anhydro-1-[7-(methylamino)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-ribitol",""],["FM2","2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL","C11 H16 N5 O4","OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C;C[n+]1cnc2c([nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O)c1N;C[n+]1cnc2c(c1N)[nH]nc2C3C(C(C(O3)CO)O)O","InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1","6-METHYL-FORMYCIN A","2001-11-12","2020-06-17","(1S)-1-(7-amino-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-6-ium-3-yl)-1,4-anhydro-D-ribitol",""],["FM4","[(2R,3S)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid","C3 H8 O7 P2","C[CH]1O[CH]1[P](O)(=O)O[P](O)(O)=O;CC1C(O1)P(=O)(O)OP(=O)(O)O","InChI=1S/C3H8O7P2/c1-2-3(9-2)11(4,5)10-12(6,7)8/h2-3H,1H3,(H,4,5)(H2,6,7,8)/t2-,3+/m0/s1","","2011-02-25","2011-07-15","[(2R,3S)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid",""],["FM5","3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID","C11 H14 Cl2 N O5 P","CC(=O)N(O)CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O;CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O","InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m0/s1","","2010-12-08","2011-06-04","[(1S)-1-(3,4-dichlorophenyl)-3-(ethanoyl-hydroxy-amino)propyl]phosphonic acid",""],["FM6","[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid","C16 H16 Cl2 N O5 P","Clc1ccc(cc1Cl)C(CCN(O)C(=O)c2ccccc2)P(=O)(O)O;ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C(=O)c2ccccc2;c1ccc(cc1)C(=O)N(CCC(c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O","InChI=1S/C16H16Cl2NO5P/c17-13-7-6-12(10-14(13)18)15(25(22,23)24)8-9-19(21)16(20)11-4-2-1-3-5-11/h1-7,10,15,21H,8-9H2,(H2,22,23,24)/t15-/m0/s1","[3-[benzoyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid","2012-12-30","2021-03-13","[(1S)-3-[benzoyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid","2013-10-09"],["FM7","[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid","C23 H20 Cl2 F3 N2 O5 P","Clc1ccc(cc1Cl)C(CCN(O)C(=O)c3ccccc3Nc2cc(ccc2)C(F)(F)F)P(=O)(O)O;ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C(=O)c2ccccc2Nc3cccc(c3)C(F)(F)F;c1ccc(c(c1)C(=O)N(CCC(c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C23H20Cl2F3N2O5P/c24-18-9-8-14(12-19(18)25)21(36(33,34)35)10-11-30(32)22(31)17-6-1-2-7-20(17)29-16-5-3-4-15(13-16)23(26,27)28/h1-9,12-13,21,29,32H,10-11H2,(H2,33,34,35)/t21-/m0/s1","","2012-12-30","2014-09-05","{(1S)-1-(3,4-dichlorophenyl)-3-[hydroxy(2-{[3-(trifluoromethyl)phenyl]amino}benzoyl)amino]propyl}phosphonic acid","2013-10-09"],["FM8","[(1S)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid","C19 H19 Cl2 N4 O5 P","Clc1ccc(cc1Cl)C(P(=O)(O)O)CCN(O)C(=O)c2ccccc2Cn3ncnc3;ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C(=O)c2ccccc2Cn3cncn3;c1ccc(c(c1)Cn2cncn2)C(=O)N(CCC(c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O","InChI=1S/C19H19Cl2N4O5P/c20-16-6-5-13(9-17(16)21)18(31(28,29)30)7-8-25(27)19(26)15-4-2-1-3-14(15)10-24-12-22-11-23-24/h1-6,9,11-12,18,27H,7-8,10H2,(H2,28,29,30)/t18-/m0/s1","","2013-01-02","2013-10-04","[(1S)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid","2013-10-09"],["FM9","4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide","C18 H18 F N5 O S","Fc1ccc(cc1)C(=O)N(c3nc(c2ncnc(NC(C)C)c2)cs3)C;CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(F)cc3;CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F","InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)","","2014-02-12","2014-03-14","4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide","2014-03-19"],["FMA","6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE","C31 H47 N4 O11 P","O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(c(c3N=C1C2=NC(=O)NC1=O)C(CC(=O)O)CCCCCCCCCCC)C)C;CCCCCCCCCCC[CH](CC(O)=O)c1c(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)C3=Nc12;CCCCCCCCCCCC(CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)O)O)O)O)C)C","InChI=1S/C31H47N4O11P/c1-4-5-6-7-8-9-10-11-12-13-20(15-24(38)39)25-19(3)18(2)14-21-26(25)32-27-29(33-31(42)34-30(27)41)35(21)16-22(36)28(40)23(37)17-46-47(43,44)45/h14,20,22-23,28,36-37,40H,4-13,15-17H2,1-3H3,(H,38,39)(H,34,41,42)(H2,43,44,45)/t20-,22+,23-,28+/m1/s1","","1999-07-08","2024-09-27","1-{6-[(1R)-1-(carboxymethyl)dodecyl]-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol",""],["FMB","FORMYCIN B","C10 H12 N4 O5","O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O;OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23;C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O","InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1","","1999-07-08","2011-06-04","(1S)-1,4-anhydro-1-(7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol",""],["FMC","(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol","C10 H13 N5 O4","OC1C(OC(CO)C1O)c3nnc2c3ncnc2N;Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)CO)O)O","InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1","","2010-06-28","2011-06-04","(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol",""],["FMD","4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE","C20 H20 F N3 O4","Fc1c(C#CC(O)C(N)C(O)C)c2c(cc1)NC(=O)C/2=C/c3c(OC)ccn3;COc1cc[nH]c1C=C2C(=O)Nc3ccc(F)c(C#C[CH](O)[CH](N)[CH](C)O)c23;CC(C(C(C#Cc1c(ccc2c1C(=Cc3c(cc[nH]3)OC)C(=O)N2)F)O)N)O","InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-10,16,19,23,25-26H,22H2,1-2H3,(H,24,27)/b12-9-/t10-,16-,19+/m1/s1","","2003-10-24","2011-06-04","(3Z)-4-[(3R,4S,5R)-4-amino-3,5-dihydroxyhex-1-yn-1-yl]-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["FME","N-FORMYLMETHIONINE","C6 H11 N O3 S","O=CNC(C(=O)O)CCSC;CSCC[CH](NC=O)C(O)=O;CSCCC(C(=O)O)NC=O","InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1","","1999-07-08","2025-08-04","N-formyl-L-methionine",""],["FMF","2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride","C6 H10 F2 O4","FC1C(O)C(O)C(OC1F)CO;OC[CH]1O[CH](F)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)F)F)O)O)O","InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1","2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE; 2-DEOXY-2-FLUORO-ALPHA-D-MANNOSYL FLUORIDE; 2-deoxy-2-fluoro-beta-D-mannosyl\nfluoride; 2-deoxy-2-fluoro-D-mannosyl fluoride; 2-deoxy-2-fluoro-mannosyl fluoride","2003-09-08","2024-09-27","2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride",""],["FMG","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium","C11 H16 F N5 O7 P","O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O)C;C[n+]1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)F","InChI=1S/C11H15FN5O7P/c1-16-3-17(8-6(16)9(19)15-11(13)14-8)10-5(12)7(18)4(24-10)2-23-25(20,21)22/h3-5,7,10,18H,2H2,1H3,(H4-,13,14,15,19,20,21,22)/p+1/t4-,5+,7-,10-/m1/s1","","2008-06-10","2011-06-04","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium",""],["FMH","4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide","C10 H9 Cl N2 O2 S Se","N[S](=O)(=O)c1ccc(cc1)c2[se]c(CCl)cn2;c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N","InChI=1S/C10H9ClN2O2SSe/c11-5-9-6-13-10(17-9)7-1-3-8(4-2-7)16(12,14)15/h1-4,6H,5H2,(H2,12,14,15)","","2018-07-20","2019-07-12","4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide","2019-07-17"],["FMI","FE-(4-MESOPORPHYRINONE)-R-ISOMER","C34 H36 Fe N4 O5","O=C(O)CCC=1C2=Cc3c(CCC(=O)O)c(C)c4C=C5[N+]6=C(C=C7[N+]8=C(C=C(C=1C)N2[Fe]86n43)C(CC)=C7C)C(=O)C5(C)CC;CCC1=C(C)C2=CC3=[N+]4C(=Cc5n6c(C=C7[N]8C(=CC1=[N+]2[Fe]468)C(=C7CCC(O)=O)C)c(CCC(O)=O)c5C)[C](C)(CC)C3=O;CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)C(C3=O)(C)CC)C","InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)24-14-29-33(43)34(6,8-2)30(38-29)16-25-19(5)22(10-12-32(41)42)28(37-25)15-27-21(9-11-31(39)40)18(4)23(36-27)13-26(20)35-24;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42,43);/q;+4/p-2/t34-;/m1./s1","","2004-02-18","2025-11-10","(T-4-R)-[(3R,22S,23R)-8,12-bis(2-carboxyethyl)-3,17-diethyl-3,7,13,18-tetramethyl-2-oxo-2H,3H-porphine-22,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]iron(2+)",""],["FMJ","4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine","C14 H12 N4 O","n1oc(c(c1c2ccccc2)c3nc(ncc3)N)C;Cc1onc(c2ccccc2)c1c3ccnc(N)n3;Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N","InChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17)","","2008-12-31","2011-06-04","4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine",""],["FMK","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C18 H16 F2 N8 O2","Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC(Cn3ncnn3)C)C)c(F)c4;C[CH](Cn1ncnn1)Nc2ncc3C=C(Oc4ccc(F)cc4F)C(=O)N(C)c3n2;CC(Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C","InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m0/s1","","2008-12-31","2011-06-04","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one",""],["FML","6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine","C15 H15 F2 N5 O3 S","Fc3ccc(Oc1ncc2c(n1)nnc2NC(C)CS(=O)(=O)C)c(F)c3;C[CH](C[S](C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12;CC(CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F","InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m0/s1","","2009-01-05","2011-06-04","6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine",""],["FMM","N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE","C29 H26 Cl F N4 O4 S","Fc1cccc(c1)COc2ccc(cc2Cl)Nc5ncnc4c5cc(c3oc(cc3)CNCCS(=O)(=O)C)cc4;C[S](=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2;CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F","InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)","","2004-10-04","2011-06-04","N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine",""],["FMN","FLAVIN MONONUCLEOTIDE","C17 H21 N4 O9 P","N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1","RIBOFLAVIN MONOPHOSPHATE","1999-07-08","2024-09-27","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",""],["FMO","2-deoxy-2,2-difluoro-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranosyl fluoride","C12 H19 F3 O9","FC2(F)C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2F)CO;OC[CH]1O[CH](O[CH]2[CH](O)C(F)(F)[CH](F)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)(F)F)F)CO)O)O)O)O","InChI=1S/C12H19F3O9/c13-11-12(14,15)9(21)8(4(2-17)23-11)24-10-7(20)6(19)5(18)3(1-16)22-10/h3-11,16-21H,1-2H2/t3-,4-,5-,6+,7-,8-,9+,10-,11+/m1/s1","1,2,2-trifluoromaltose","2014-07-24","2020-07-17","2-deoxy-2,2-difluoro-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranosyl fluoride","2015-07-22"],["FMP","FORMYCIN-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C3O)(O)O;Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1","","1999-07-08","2011-06-04","(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol",""],["FMQ","[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol","C11 H11 F N2 O","Fc1ccc(cc1)n2ncc(c2C)CO;Cc1n(ncc1CO)c2ccc(F)cc2;Cc1c(cnn1c2ccc(cc2)F)CO","InChI=1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3","","2012-03-28","2013-01-25","[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol","2013-01-25"],["FMR","FUMARATE","C4 H2 O4","[O-]C(=O)C=CC([O-])=O;[O-]C(=O)C=CC([O-])=O;C(=CC(=O)[O-])C(=O)[O-]","InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+","","1999-11-17","2012-08-01","(2E)-but-2-enedioate",""],["FMS","TRIFLUOROMETHANE SULFONAMIDE","C H2 F3 N O2 S","FC(F)(F)S(=O)(=O)N;N[S](=O)(=O)C(F)(F)F;C(F)(F)(F)S(=O)(=O)N","InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)","","1999-07-08","2011-06-04","1,1,1-trifluoromethanesulfonamide",""],["FMT","FORMIC ACID","C H2 O2","O=CO;OC=O;C(=O)O","InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)","","1999-07-08","2024-09-27","formic acid",""],["FMU","5-FLUORO-5-METHYLURIDINE-5'-MONOPHOSPHATE","C10 H16 F N2 O9 P","O=C1N(CC(F)(C(=O)N1)C)C2OC(C(O)C2O)COP(=O)(O)O;C[C]1(F)CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CC1(CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)F","InChI=1S/C10H16FN2O9P/c1-10(11)3-13(9(17)12-8(10)16)7-6(15)5(14)4(22-7)2-21-23(18,19)20/h4-7,14-15H,2-3H2,1H3,(H,12,16,17)(H2,18,19,20)/t4-,5-,6-,7-,10+/m1/s1","","2005-01-06","2024-09-27","5-fluoro-5-methyluridine 5'-(dihydrogen phosphate)",""],["FMV","(1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol","C28 H40 O4","OC(c1oc(cc1)C(C3CCC4C(=CC=C2/C(=C)C(O)CC(O)C2)CCCC34C)C)(C)C;C[CH]([CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C)c4oc(cc4)C(C)(C)O;CC(c1ccc(o1)C(C)(C)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C","InChI=1S/C28H40O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,12-13,18,21-24,29-31H,1,6-7,10-11,14-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,28+/m0/s1","","2010-08-24","2011-08-12","(1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(2-hydroxypropan-2-yl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol",""],["FMW","~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine","C24 H30 N8 O","CCOc1cc(ccc1Nc2ncc3cc(C)nc(NCC(C)(C)C)c3n2)c4nncn4C;CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C","InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)","","2018-07-20","2018-09-14","~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine","2018-09-19"],["FMX","FAMOXADONE","C22 H18 N2 O4","O=C2OC(C(=O)N2Nc1ccccc1)(c4ccc(Oc3ccccc3)cc4)C;C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3;CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4","InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1","5-METHYL-5-(4-PHENOXYPHENYL)-3-(PHENYLAMINO)-2,4-OXAZOLIDINEDIONE","2002-02-25","2020-06-17","(5S)-5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione",""],["FMY","N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline","C26 H27 F N8 O2","Fc1cc(cc(c1)C2=NC(NC=C2)=Nc3ccc(cc3)n4cnc(n4)N5CCOCC5)N6CCOCC6;c1cc(ccc1N=C2NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6","InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)","","2009-12-01","2011-06-04","4-(3-fluoro-5-morpholin-4-yl-phenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-1H-pyrimidin-2-imine",""],["FMZ","(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid","C19 H25 N5 O5 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)NCC3;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](NN2CCNC2=O)c3ccccc3)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)NN3CCNC3=O)C(=O)O)C","InChI=1S/C19H25N5O5S/c1-19(2)14(17(27)28)22-16(30-19)12(10-25)21-15(26)13(11-6-4-3-5-7-11)23-24-9-8-20-18(24)29/h3-7,10,12-14,16,22-23H,8-9H2,1-2H3,(H,20,29)(H,21,26)(H,27,28)/t12-,13-,14+,16-/m1/s1","","2009-07-02","2024-09-27","(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid",""],["FN0","(3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one","C17 H21 F3 O3","CC(C)(C)c1cc(c2OC(=O)[C](O)(c2c1)C(F)(F)F)C(C)(C)C;CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O","InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1","","2020-06-03","2020-06-26","(3~{S})-5,7-di~{tert}-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one","2020-07-01"],["FN1","5-fluoronicotine","C10 H13 F N2","Fc1cncc(c1)C2CCCN2C;CN1CCC[CH]1c2cncc(F)c2;CN1CCCC1c2cc(cnc2)F","InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1","3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine","2015-05-28","2021-03-01","3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine","2015-06-24"],["FN2","(1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C28 H40 N4 O9 S","O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)C(=O)Cc3ccccc3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4","InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26-/m0/s1","","2021-12-15","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-12-22"],["FN3","[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid","C19 H25 B N4 O4","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)O","InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1","","2020-06-04","2020-07-03","[(1~{S})-3-methyl-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid","2020-07-08"],["FN5","CMP-3F(a)-Neu5Ac","C19 H30 F N4 O14 P","O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)OC3OC(C(NC(=O)C)C(O)C3F)C(O)C(O)CO;CC(=O)N[CH]1[CH](O)[CH](F)[CH](O[CH]1[CH](O)[CH](O)CO)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N;CC(=O)NC1C(C(C(OC1C(C(CO)O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)F)O","InChI=1S/C19H30FN4O14P/c1-6(26)22-11-14(30)10(20)18(37-16(11)12(28)7(27)4-25)38-39(33,34)35-5-8-13(29)15(31)17(36-8)24-3-2-9(21)23-19(24)32/h2-3,7-8,10-18,25,27-31H,4-5H2,1H3,(H,22,26)(H,33,34)(H2,21,23,32)/t7-,8-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1","","2011-06-15","2012-08-10","(2S,3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)",""],["FN6","(2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid","C10 H16 N4 O4","N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O;c1c(nc[nH]1)CC(C(=O)O)NCCC(C(=O)O)N","InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1","","2020-06-08","2021-04-23","(2~{S})-2-azanyl-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid","2021-04-28"],["FN7","2,4,6-trimethylpyridine-3-carboxylic acid","C9 H11 N O2","OC(=O)c1c(C)cc(C)nc1C;Cc1cc(C)c(C(O)=O)c(C)n1;Cc1cc(nc(c1C(=O)O)C)C","InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12)","","2021-04-01","2021-07-16","2,4,6-trimethylpyridine-3-carboxylic acid","2021-07-21"],["FN8","(~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide","C17 H31 N3 O7","CCC(=O)N(O)CCC[CH](NC(C)=O)[CH](O)OCCC(C)=CC(=O)N(C)O;CCC(=O)N(CCCC(C(O)OCCC(=CC(=O)N(C)O)C)NC(=O)C)O","InChI=1S/C17H31N3O7/c1-5-15(22)20(26)9-6-7-14(18-13(3)21)17(24)27-10-8-12(2)11-16(23)19(4)25/h11,14,17,24-26H,5-10H2,1-4H3,(H,18,21)/b12-11-/t14-,17-/m0/s1","","2018-07-20","2024-09-27","(~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide","2018-08-15"],["FN9","3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one","C20 H25 N5 O","CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4ccn(C)c4C(=O)N3C;Cn1ccc2c1C(=O)N(C(=N2)NC3CC(CN(C3)C)c4ccccc4)C","InChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1","","2020-06-08","2021-04-02","3,5-dimethyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one","2021-04-07"],["FNA","N-phenylnaphthalen-1-amine","C16 H13 N","c3c(Nc1ccccc1)c2ccccc2cc3;N(c1ccccc1)c2cccc3ccccc23;c1ccc(cc1)Nc2cccc3c2cccc3","InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H","","2011-05-17","2011-11-25","N-phenylnaphthalen-1-amine",""],["FNB","1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea","C19 H19 Cl2 N9 O3","CO[CH](C)[CH](OC)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(n4nccn4)c(Cl)c3;CC(C(c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC","InChI=1S/C19H19Cl2N9O3/c1-10(32-2)17(33-3)16-13(9-22-15-7-14(21)28-29(15)16)27-19(31)26-11-6-12(20)18(23-8-11)30-24-4-5-25-30/h4-10,17H,1-3H3,(H2,26,27,31)/t10-,17+/m1/s1","","2018-07-20","2019-02-08","1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea","2019-02-13"],["FNC","3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one","C19 H23 N5 O","CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C;CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4","InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1","","2020-06-11","2021-04-02","3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","2021-04-07"],["FND","11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C34 H44 N8 O3","c3(C(N1CCC(CC1)N2CCN(CC2)C)=O)ccc(c(c3)OC)Nc6ncc5N(C(=O)c4c(cccc4)N(C(CC)C)c5n6)C;CC[CH](C)N1c2ccccc2C(=O)N(C)c3cnc(Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc13;CCC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C","InChI=1S/C34H44N8O3/c1-6-23(2)42-28-10-8-7-9-26(28)33(44)39(4)29-22-35-34(37-31(29)42)36-27-12-11-24(21-30(27)45-5)32(43)41-15-13-25(14-16-41)40-19-17-38(3)18-20-40/h7-12,21-23,25H,6,13-20H2,1-5H3,(H,35,36,37)/t23-/m0/s1","","2018-04-10","2018-08-24","11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2018-08-29"],["FNE","(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)","C3 Fe Ni O3 S","[Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+];C(#O)[Fe]1(S[Ni]1)(C#O)C#O","InChI=1S/3CO.Fe.Ni.S/c3*1-2;;;","","2000-06-21","2023-09-23","3,3,3-tris($l^{3}-oxidanylidynemethyl)-1-thia-2$l^{2}-nickela-3$l^{5}-ferracyclopropane",""],["FNF","(2R,3R,4S,5R,6R)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C17 H27 N3 O15 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(NC=O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](NC=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O","InChI=1S/C17H27N3O15P2/c1-7-4-20(17(26)19-15(7)25)11-3-9(22)10(33-11)5-31-36(27,28)35-37(29,30)34-16-14(24)12(18-6-21)13(23)8(2)32-16/h4,6,8-14,16,22-24H,3,5H2,1-2H3,(H,18,21)(H,27,28)(H,29,30)(H,19,25,26)/t8-,9+,10-,11-,12+,13+,14-,16-/m1/s1","","2013-08-01","2013-08-09","(2R,3R,4S,5R,6R)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2013-08-14"],["FNG","5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside","C13 H16 N2 O9","[O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N)c2;NC(=O)c1cc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(c1)[N+]([O-])=O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)N","InChI=1S/C13H16N2O9/c14-12(20)5-1-6(15(21)22)3-7(2-5)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)/t8-,9+,10+,11-,13+/m1/s1","5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE; 5-aminocarbonyl-3-nitrophenyl alpha-D-galactoside;\n5-aminocarbonyl-3-nitrophenyl D-galactoside; 5-aminocarbonyl-3-nitrophenyl galactoside","2002-05-09","2020-07-17","3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide",""],["FNH","(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID","C41 H55 N5 O8","O=C(O)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C3NC(=O)C(NC(=O)CCCCCCCc2cccc(c2)C3)C4CCCCC4)CCC;CCC[CH](NC(=O)[CH]1Cc2cccc(CCCCCCCC(=O)N[CH](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[CH](C(O)=O)c4ccccc4;CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)NC(=O)C2Cc3cccc(c3)CCCCCCCC(=O)NC(C(=O)N2)C4CCCCC4","InChI=1S/C41H55N5O8/c1-2-15-31(37(49)40(52)42-26-34(48)46-36(41(53)54)30-21-11-7-12-22-30)43-38(50)32-25-28-18-14-17-27(24-28)16-8-4-3-5-13-23-33(47)45-35(39(51)44-32)29-19-9-6-10-20-29/h7,11-12,14,17-18,21-22,24,29,31-32,35-36H,2-6,8-10,13,15-16,19-20,23,25-26H2,1H3,(H,42,52)(H,43,50)(H,44,51)(H,45,47)(H,46,48)(H,53,54)/t31-,32-,35-,36+/m0/s1","","2005-07-27","2024-09-27","(2R)-({N-[(3S)-3-({[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid",""],["FNI","3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide","C22 H15 N5 O3","O=C(Nc1ncncc1)c3oc2cnccc2c3Nc5cc4cccc(O)c4cc5;Oc1cccc2cc(Nc3c(oc4cnccc34)C(=O)Nc5ccncn5)ccc12;c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5","InChI=1S/C22H15N5O3/c28-17-3-1-2-13-10-14(4-5-15(13)17)26-20-16-6-8-23-11-18(16)30-21(20)22(29)27-19-7-9-24-12-25-19/h1-12,26,28H,(H,24,25,27,29)","","2010-12-01","2011-06-04","3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide",""],["FNJ","4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol","C22 H22 O2","c1c(ccc(c1)O)C(CC)C(c2ccc(O)cc2)c3ccccc3;CC[CH]([CH](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3;CCC(c1ccc(cc1)O)C(c2ccccc2)c3ccc(cc3)O","InChI=1S/C22H22O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,21-24H,2H2,1H3/t21-,22+/m0/s1","","2018-04-10","2019-03-15","4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol","2019-03-20"],["FNK","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C32 H43 N9 O16 P2","Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C;O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CC(C)C;CC(C)CC(=O)N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6","InChI=1S/C32H43N9O16P2/c1-13(2)5-21(44)41-17-7-15(4)14(3)6-16(17)39(29-23(41)30(48)38-32(49)37-29)8-18(42)24(45)19(43)9-54-58(50,51)57-59(52,53)55-10-20-25(46)26(47)31(56-20)40-12-36-22-27(33)34-11-35-28(22)40/h6-7,11-13,18-20,24-26,31,42-43,45-47H,5,8-10H2,1-4H3,(H,50,51)(H,52,53)(H2,33,34,35)(H2,37,38,48,49)/t18-,19+,20+,24-,25+,26+,31+/m0/s1","","2011-07-11","2011-07-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FNM","(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one","C17 H17 N3 O S","CSC1=N[C](C)(C(=O)N1Nc2ccccc2)c3ccccc3;CC1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3","InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1","","2010-01-21","2011-06-04","(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-phenylazanyl-imidazol-4-one",""],["FNN","3-fluoro-4-nitrophenol","C6 H4 F N O3","Fc1c([N+]([O-])=O)ccc(O)c1;Oc1ccc(c(F)c1)[N+]([O-])=O;c1cc(c(cc1O)F)[N+](=O)[O-]","InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H","","2011-08-24","2012-08-17","3-fluoro-4-nitrophenol",""],["FNO","2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione","C16 H16 O5","CC(C)=CC[CH](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O;CC(=CCC(C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C","InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1","shikonin","2020-06-11","2024-09-27","2-[(1~{R})-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione","2021-04-07"],["FNP","{[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID","C12 H10 F4 O6 P2","FC(F)(c1cc2c(cc1)ccc(c2)C(F)(F)P(=O)(O)O)P(=O)(O)O;O[P](O)(=O)C(F)(F)c1ccc2ccc(cc2c1)C(F)(F)[P](O)(O)=O;c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O","InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)","","2001-11-06","2011-06-04","[naphthalene-2,7-diylbis(difluoromethanediyl)]bis(phosphonic acid)",""],["FNQ","8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C28 H27 N7 O","O=C1NC=Nc2c1ccnc2n3cc(CCN4CCC(CC4)c5ccc(cc5)c6cccnc6)cn3;c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6","InChI=1S/C28H27N7O/c36-28-25-7-12-30-27(26(25)31-19-32-28)35-18-20(16-33-35)8-13-34-14-9-23(10-15-34)21-3-5-22(6-4-21)24-2-1-11-29-17-24/h1-7,11-12,16-19,23H,8-10,13-15H2,(H,31,32,36)","","2018-07-23","2019-06-07","8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FNR","1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL","C17 H23 N4 O9 P","c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O;Cc1cc2NC3=C(NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1","TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE","2006-02-10","2020-06-17","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",""],["FNS","N-SULFO-FLAVIN MONONUCLEOTIDE","C17 H21 N4 O12 P S","N=2C(=O)NC(=O)C3=[N+](S([O-])(=O)=O)c1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)C3=[N+](c2cc1C)[S]([O-])(=O)=O;Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)O)O)O)O)S(=O)(=O)[O-]","InChI=1S/C17H21N4O12PS/c1-7-3-9-10(4-8(7)2)21(35(30,31)32)13-15(18-17(26)19-16(13)25)20(9)5-11(22)14(24)12(23)6-33-34(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H3-,19,25,26,27,28,29,30,31,32)/t11-,12+,14-/m0/s1","","1999-07-08","2016-02-17","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-5-sulfonato-3,4-dihydrobenzo[g]pteridin-5-ium-10(2H)-yl)-5-O-phosphono-D-ribitol",""],["FNT","(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid","C13 H11 Cl N2 O4","[O-]C(=O)C(NC(=O)c1nc(Cl)c2c(c1O)cccc2)C;C[CH](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O;CC(C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O","InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/p-1/t6-/m0/s1","","2013-06-04","2013-06-14","(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoate","2013-06-19"],["FNU","6-amino-5-fluorouridine 5'-(dihydrogen phosphate)","C9 H13 F N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(F)=C1N)C(O)C2O;NC1=C(F)C(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C(C1C(C(C(O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O","InChI=1S/C9H13FN3O9P/c10-3-6(11)13(9(17)12-7(3)16)8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,11H2,(H,12,16,17)(H2,18,19,20)/t2-,4-,5-,8-/m1/s1","","2010-05-24","2011-06-04","6-amino-5-fluorouridine 5'-(dihydrogen phosphate)",""],["FNV","4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C29 H30 F3 N7 O2 S","c12sc(cc1c(ncn2)NC3CCN(CC3)Cc6ccc5c(cc(C#N)n5CC4CNC(CO4)=O)c6C)CC(F)(F)F;Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(C[CH]6CNC(=O)CO6)c(cc15)C#N;Cc1c(ccc2c1cc(n2CC3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F","InChI=1S/C29H30F3N7O2S/c1-17-18(2-3-25-23(17)8-20(11-33)39(25)14-21-12-34-26(40)15-41-21)13-38-6-4-19(5-7-38)37-27-24-9-22(10-29(30,31)32)42-28(24)36-16-35-27/h2-3,8-9,16,19,21H,4-7,10,12-15H2,1H3,(H,34,40)(H,35,36,37)/t21-/m1/s1","","2018-04-10","2018-11-23","4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2018-11-28"],["FNW","[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol","C10 H6 Cl2 F3 N3 O","OCc1cn(nn1)c2ccc(Cl)c(c2Cl)C(F)(F)F;c1cc(c(c(c1n2cc(nn2)CO)Cl)C(F)(F)F)Cl","InChI=1S/C10H6Cl2F3N3O/c11-6-1-2-7(9(12)8(6)10(13,14)15)18-3-5(4-19)16-17-18/h1-3,19H,4H2","","2022-01-25","2022-08-22","[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol","2022-05-04"],["FNX","(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde","C15 H16 N6 O2","O=CN1C3C(NCC1[C@H]=Nc2ccc(cc2)C)=NC(=NC3=O)N;Cc1ccc(cc1)N=C[CH]2CNC3=NC(=NC(=O)[CH]3N2C=O)N;Cc1ccc(cc1)N=CC2CNC3=NC(=NC(=O)C3N2C=O)N","InChI=1S/C15H16N6O2/c1-9-2-4-10(5-3-9)17-6-11-7-18-13-12(21(11)8-22)14(23)20-15(16)19-13/h2-6,8,11-12H,7H2,1H3,(H3,16,18,19,20,23)/b17-6+/t11-,12+/m1/s1","","2016-04-06","2016-05-20","(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde","2016-05-25"],["FNY","1-FRUCTOFURANOSYL-D-NYSTOSE","C30 H52 O26","OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO[C]5(CO)O[CH](CO)[CH](O)[CH]5O)O[CH](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O","InChI=1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(5-35)55-30)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(23(45)17(39)12(3-33)53-28)7-48-27(6-36)22(44)16(38)11(2-32)52-27/h10-26,31-47H,1-9H2/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30-/m0/s1","","2016-06-10","2020-07-17","(2R,3R,4R,5S,6S)-2-[(2S,3R,4R,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","2017-01-18"],["FNZ","4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]BENZONITRILE","C18 H15 F N4 O","Fc1ccc(cc1)CC(O)C(c2ccc(C#N)cc2)n3ncnc3;O[CH](Cc1ccc(F)cc1)[CH](n2cncn2)c3ccc(cc3)C#N;c1cc(ccc1CC(C(c2ccc(cc2)C#N)n3cncn3)O)F","InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18+/m1/s1","","2005-09-19","2011-06-04","4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile",""],["FO0","6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide","C20 H18 N6 O2","C[CH](NC(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2nc1N)c4cccnc4;CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NC(C)c4cccnc4)C2=O","InChI=1S/C20H18N6O2/c1-11-5-4-8-26-18(11)25-17-15(20(26)28)9-14(16(21)24-17)19(27)23-12(2)13-6-3-7-22-10-13/h3-10,12H,1-2H3,(H2,21,24)(H,23,27)/t12-/m0/s1","","2020-06-11","2021-06-11","6-azanyl-11-methyl-2-oxidanylidene-~{N}-[(1~{S})-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide","2021-06-16"],["FO1","1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol","C16 H17 N3 O7","O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13;c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O","InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1","7,8-didemethyl-8-hydroxy-5-deazariboflavin","2008-02-01","2020-06-17","1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol",""],["FO2","8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C16 H18 N6 O","CN1CCC(CC1)c2cnn(c2)c3nccc4C(=O)NC=Nc34;CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4","InChI=1S/C16H18N6O/c1-21-6-3-11(4-7-21)12-8-20-22(9-12)15-14-13(2-5-17-15)16(23)19-10-18-14/h2,5,8-11H,3-4,6-7H2,1H3,(H,18,19,23)","","2018-07-23","2019-06-07","8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FO4","sphingomyelin ","C47 H94 N2 O6 P","CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P]([OH-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O","InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50,52H,6-19,22-37,39,41-44H2,1-5H3/q-1/p+1/b21-20-,40-38+/t45-,46+/m0/s1","","2018-04-10","2019-04-05","","2019-04-10"],["FO5","3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile","C14 H14 N4 O2 S","N#CCC(=O)N3CCC(c1onc(n1)c2sccc2)CC3;O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3;c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N","InChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2","","2011-09-13","2011-12-16","3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile",""],["FO6","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C27 H36 O3","CC(C)(O)C#CC#C[C]1(C)CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC1(CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)C#CC#CC(C)(C)O","InChI=1S/C27H36O3/c1-19-21(17-22(28)18-24(19)29)11-10-20-9-8-15-27(5)23(20)12-16-26(27,4)14-7-6-13-25(2,3)30/h10-11,22-24,28-30H,1,8-9,12,15-18H2,2-5H3/b20-10+,21-11-/t22-,23+,24+,26+,27+/m1/s1","","2023-07-20","2024-06-21","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2024-06-26"],["FO7","{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol","C14 H9 Br Cl F3 O4 S","Brc1c(CO)c(ccc1Oc2cc(Cl)cc(c2)F)S(=O)(=O)C(F)F;OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1[S](=O)(=O)C(F)F;c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F","InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2","","2018-04-11","2018-10-26","{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol","2018-10-31"],["FO8","8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C29 H35 N7 O2","O=C1NC=Nc2c(nccc12)n3cc(CCN4CCC(CC4)c5ccc(CCN6CCOCC6)cc5)cn3;c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6","InChI=1S/C29H35N7O2/c37-29-26-5-10-30-28(27(26)31-21-32-29)36-20-23(19-33-36)7-12-34-13-8-25(9-14-34)24-3-1-22(2-4-24)6-11-35-15-17-38-18-16-35/h1-5,10,19-21,25H,6-9,11-18H2,(H,31,32,37)","","2018-07-23","2019-06-07","8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FO9","famotidine","C8 H17 N7 O2 S3","NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O;C1C(=NC(=S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N","InChI=1S/C8H17N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h19H,1-4H2,(H2,9,15)(H4,10,11,14)(H2,12,16,17)","","2018-03-26","2018-11-23","3-[[2-[bis(azanyl)methylideneamino]-5~{H}-1,3-thiazol-4-yl]methylsulfanyl]-~{N}'-sulfamoyl-propanimidamide","2018-11-28"],["FOA","2-FUROIC ACID","C5 H4 O3","O=C(O)c1occc1;OC(=O)c1occc1;c1cc(oc1)C(=O)O","InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)","","2006-03-10","2024-09-27","furan-2-carboxylic acid",""],["FOB","[(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid","C10 H15 N2 O5 P","O=C(N(O)CCC(c1ccncc1)P(=O)(O)O)C;CC(=O)N(O)CC[CH](c1ccncc1)[P](O)(O)=O;CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O","InChI=1S/C10H15N2O5P/c1-8(13)12(14)7-4-10(18(15,16)17)9-2-5-11-6-3-9/h2-3,5-6,10,14H,4,7H2,1H3,(H2,15,16,17)/t10-/m1/s1","","2012-07-26","2013-02-01","[(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid","2013-02-01"],["FOC","FUCITOL","C6 H14 O5","OC(C(O)C)C(O)C(O)CO;C[CH](O)[CH](O)[CH](O)[CH](O)CO;CC(C(C(C(CO)O)O)O)O","InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1","","1999-07-08","2011-06-04","1-deoxy-D-galactitol",""],["FOD","(2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid","C12 H20 N4 O3","c1(nnn(c1)C2CCC(CC2)O)CCC(N)C(O)=O;N[CH](CCc1cn(nn1)[CH]2CC[CH](O)CC2)C(O)=O;c1c(nnn1C2CCC(CC2)O)CCC(C(=O)O)N","InChI=1S/C12H20N4O3/c13-11(12(18)19)6-1-8-7-16(15-14-8)9-2-4-10(17)5-3-9/h7,9-11,17H,1-6,13H2,(H,18,19)/t9-,10-,11-/m0/s1","","2018-04-11","2024-09-27","(2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid","2019-02-20"],["FOE","2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(4-FLUORO-PHENYL)-N-ISOPROPYL-ACETAMIDE","C14 H19 F N2 O3 S","O=C(O)C(N)CSCC(=O)N(c1ccc(F)cc1)C(C)C;CC(C)N(C(=O)CSC[CH](N)C(O)=O)c1ccc(F)cc1;CC(C)N(c1ccc(cc1)F)C(=O)CSCC(C(=O)O)N","InChI=1S/C14H19FN2O3S/c1-9(2)17(11-5-3-10(15)4-6-11)13(18)8-21-7-12(16)14(19)20/h3-6,9,12H,7-8,16H2,1-2H3,(H,19,20)/t12-/m0/s1","","1999-07-08","2024-09-27","S-{2-[(4-fluorophenyl)(1-methylethyl)amino]-2-oxoethyl}-L-cysteine",""],["FOF","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol","C15 H26 O","CC(=CCCC(=CCCC(C)=[C@H]CO)C)C;CC(C)=CCCC(C)=CCCC(C)=CCO;CC(=CCCC(=CCCC(=CCO)C)C)C","InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+","trans,trans-Farnesol","2019-02-08","2021-03-13","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol","2019-02-20"],["FOG","(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid","C12 H17 N O3","O=C(O)CCC(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)CCC(O)=O;c1ccc(cc1)CC(C(CCC(=O)O)O)N","InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1","","1999-07-08","2015-02-18","(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid",""],["FOH","(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol","C15 H26 O","C/C(C)=C/CCC(=C/CCC(C)=[C@H]CO)C;CC(C)=CCCC(C)=CCCC(C)=CCO;CC(=CCCC(=CCCC(=CCO)C)C)C","InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11-","cis,cis-Farnesol","1999-12-08","2021-03-13","(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol",""],["FOI","methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate","C18 H15 N3 O4","O=C(OC)c2oc1cnccc1c2NC4C=CC3=C(NO)C=CC3=C4;COC(=O)c1oc2cnccc2c1N[CH]3C=CC4=C(NO)C=CC4=C3;COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO","InChI=1S/C18H15N3O4/c1-24-18(22)17-16(13-6-7-19-9-15(13)25-17)20-11-3-4-12-10(8-11)2-5-14(12)21-23/h2-9,11,20-21,23H,1H3/t11-/m0/s1","(E)-methyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate","2010-12-01","2021-03-13","methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate",""],["FOJ","3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile","C16 H8 F5 N O4 S","N#Cc1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c3C(F)F)O;O[CH]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)[S](=O)(=O)C1(F)F;c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)C(C(S2(=O)=O)(F)F)O","InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1","","2018-04-11","2018-10-26","3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile","2018-10-31"],["FOK","FORSKOLIN","C22 H34 O7","O=C2CC(OC3(C(OC(=O)C)C(O)C1C(CCC(O)C1(C)C23O)(C)C)C)(C=C)C;CC(=O)O[CH]1[CH](O)[CH]2C(C)(C)CC[CH](O)[C]2(C)[C]3(O)C(=O)C[C](C)(O[C]13C)C=C;CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O","InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1","","1999-07-08","2011-06-04","(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate",""],["FOL","FOLIC ACID","C19 H19 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O;NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N","InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",""],["FOM","3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID","C4 H10 N O5 P","O=P(O)(O)CCCN(O)C=O;ON(CCC[P](O)(O)=O)C=O;C(CN(C=O)O)CP(=O)(O)O","InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)","FOSMIDOMYCIN","2003-03-05","2020-06-17","{3-[formyl(hydroxy)amino]propyl}phosphonic acid",""],["FON","N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid","C20 H23 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O)CCC(=O)O;NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2C=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)N=C(N3)N","InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1","[6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE; 6R-FOLINIC ACID","1999-07-09","2020-06-17","N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["FOO","(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID","C11 H13 N2 O7 P","O=C(O)C(=[N@H])C=Cc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=CC(=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=N)C(=O)O)O","InChI=1S/C11H13N2O7P/c1-6-10(14)8(2-3-9(12)11(15)16)7(4-13-6)5-20-21(17,18)19/h2-4,12,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/b3-2+,12-9-","","2006-11-16","2011-06-04","(3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid",""],["FOP","2-HYDROXY-PROPYL-AMMONIUM","C3 H10 N O","OC(C)C[NH3+];C[CH](O)C[NH3+];CC(C[NH3+])O","InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1","F-LOOP OF VITAMIN B12","2001-04-11","2021-03-01","(2R)-2-hydroxypropan-1-aminium",""],["FOQ","[(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid","C10 H15 N2 O5 P","O=C(N(O)CCC(c1ccncc1)P(=O)(O)O)C;CC(=O)N(O)CC[CH](c1ccncc1)[P](O)(O)=O;CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O","InChI=1S/C10H15N2O5P/c1-8(13)12(14)7-4-10(18(15,16)17)9-2-5-11-6-3-9/h2-3,5-6,10,14H,4,7H2,1H3,(H2,15,16,17)/t10-/m0/s1","","2012-07-26","2013-02-01","[(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid","2013-02-01"],["FOR","FORMYL GROUP","C H2 O","O=C;C=O;C=O","InChI=1S/CH2O/c1-2/h1H2","","1999-07-08","2024-09-27","formaldehyde",""],["FOS","[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE","C9 H12 N O5 P","O=P(O)(O)CNC(=O)OCc1ccccc1;O[P](O)(=O)CNC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)NCP(=O)(O)O","InChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)","","1999-07-08","2024-09-27","({[(benzyloxy)carbonyl]amino}methyl)phosphonic acid",""],["FOT","5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID","C5 H3 F N2 O4","O=C(O)C1=C(F)C(=O)NC(=O)N1;OC(=O)C1=C(F)C(=O)NC(=O)N1;C1(=C(NC(=O)NC1=O)C(=O)O)F","InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)","5-FLUOROOROTIC ACID","2006-11-09","2020-06-17","5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",""],["FOU","(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE","C4 H7 F N2 O3","FC1C(O)NC(=O)NC1O;O[CH]1NC(=O)N[CH](O)C1F;C1(C(NC(=O)NC1O)O)F","InChI=1S/C4H7FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-3,8-9H,(H2,6,7,10)/t2-,3-/m1/s1","(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE","2006-09-05","2020-06-17","(4R,6R)-5-fluoro-4,6-dihydroxytetrahydropyrimidin-2(1H)-one",""],["FOV","N-(3-chloro-5-fluorophenyl)-2-nitro-4-(trifluoromethanesulfonyl)aniline","C13 H7 Cl F4 N2 O4 S","Clc1cc(F)cc(Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)C(F)(F)F)c1;[O-][N+](=O)c1cc(ccc1Nc2cc(F)cc(Cl)c2)[S](=O)(=O)C(F)(F)F;c1cc(c(cc1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])Nc2cc(cc(c2)Cl)F","InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H","","2018-04-11","2026-04-05","N-(3-chloro-5-fluorophenyl)-2-nitro-4-(trifluoromethanesulfonyl)aniline","2018-10-31"],["FOW","8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C25 H26 N6 O","O=C1NC=Nc2c1ccnc2n3cc(CCN4CCC5(CC4)CCc6ccccc56)cn3;c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6","InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)","","2018-07-23","2019-06-07","8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FOX","((1R,2S,4R)-4-{[2-AMINO-5-(FORMYLAMINO)-6-OXO-3,6-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-HYDROXYCYCLOPENTYL)METHYL 5'-PHOSPHATE","C11 H18 N5 O7 P","O=C1N=C(NC(=C1NC=O)NC2CC(COP(=O)(O)O)C(O)C2)N;NC1=NC(=O)C(=C(N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)N1)NC=O;C1C(CC(C1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O","InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1","","2004-06-21","2011-06-04","[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",""],["FOY","1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one","C17 H16 N2 O2","O=C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C;Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2;Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3","InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3","","2018-04-11","2018-09-21","1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one","2018-09-26"],["FOZ","N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid","C20 H23 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)N=C(NC=3NC2)N)CCC(=O)O;NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2C=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)N=C(N3)N","InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1","","2011-09-12","2019-11-12","N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid",""],["FP0","(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate","C17 H24 O5","O=C(OC3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C;CC(=O)O[CH]1C[C]2(C)[C]3(CO)CCC(=C[CH]3O[CH]1[C]24CO4)C;CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO","InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1","15-decalonectrin","2009-01-05","2021-03-01","(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate",""],["FP1","N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine","C7 H10 N2 O","ONC=C1C=CC=CN1C;CN1C=CC=CC1=CNO;CN1C=CC=CC1=CNO","InChI=1S/C7H10N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,8,10H,1H3/b7-6-","","2007-09-06","2011-06-04","N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine",""],["FP2","2-fluorophenol","C6 H5 F O","Fc1ccccc1O;Oc1ccccc1F;c1ccc(c(c1)O)F","InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H","","2008-04-01","2011-06-04","2-fluorophenol",""],["FP3","2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol","C17 H11 Cl N4 O2","Clc1ccc(cc1O)Nc2c4ccncc4oc2c3ncccn3;Oc1cc(Nc2c(oc3cnccc23)c4ncccn4)ccc1Cl;c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl","InChI=1S/C17H11ClN4O2/c18-12-3-2-10(8-13(12)23)22-15-11-4-7-19-9-14(11)24-16(15)17-20-5-1-6-21-17/h1-9,22-23H","","2010-12-01","2011-06-04","2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol",""],["FP4","3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol","C21 H18 N6 O2","n5ccc1c(oc(c1Nc3cccc2nnc(c23)CCCO)c4ncccn4)c5;OCCCc1n[nH]c2cccc(Nc3c(oc4cnccc34)c5ncccn5)c12;c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO","InChI=1S/C21H18N6O2/c28-11-2-6-16-18-14(4-1-5-15(18)26-27-16)25-19-13-7-10-22-12-17(13)29-20(19)21-23-8-3-9-24-21/h1,3-5,7-10,12,25,28H,2,6,11H2,(H,26,27)","","2010-12-01","2011-06-04","3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol",""],["FP5","PHENYLACETAMIDOMETHYL BORONIC ACID","C9 H12 B N O3","OB(O)CNC(=O)Cc1ccccc1;B(CNC(=O)Cc1ccccc1)(O)O","InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)","","2011-01-12","2024-09-27","(2-phenylethanoylamino)methylboronic acid",""],["FP6","pyrrolidine-1-carbaldehyde","C5 H9 N O","O=CN1CCCC1;O=CN1CCCC1;C1CCN(C1)C=O","InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2","","2011-03-22","2024-09-27","pyrrolidine-1-carbaldehyde",""],["FP7","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one","C19 H20 N2 O3","c3cc(CN2C=C(c1c(C)noc1C)C=CC2=O)ccc3C(C)O;C[CH](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1;Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O","InChI=1S/C19H20N2O3/c1-12-19(14(3)24-20-12)17-8-9-18(23)21(11-17)10-15-4-6-16(7-5-15)13(2)22/h4-9,11,13,22H,10H2,1-3H3/t13-/m1/s1","","2018-04-11","2024-09-27","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one","2018-09-26"],["FP8","(1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C28 H40 N4 O9 S","O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)C(=O)Cc3ccccc3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4","InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26+/m0/s1","","2021-12-15","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2021-12-22"],["FP9","(4R)-4-fluoro-L-proline","C5 H8 F N O2","O=C(O)C1NCC(F)C1;OC(=O)[CH]1C[CH](F)CN1;C1C(CNC1C(=O)O)F","InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1","","2009-08-18","2024-09-27","(4R)-4-fluoro-L-proline",""],["FPA","bromo(difluoro)acetic acid","C2 H Br F2 O2","C(F)(F)(C(=O)O)Br;OC(=O)C(F)(F)Br;C(=O)(C(F)(F)Br)O","InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)","","1999-07-08","2024-09-27","bromo(difluoro)acetic acid",""],["FPB","N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE","C22 H26 F N3 O2","O=C(N2C(CNC(=O)c1ccccc1)CCC2)CC(N)Cc3ccccc3F;N[CH](CC(=O)N1CCC[CH]1CNC(=O)c2ccccc2)Cc3ccccc3F;c1ccc(cc1)C(=O)NCC2CCCN2C(=O)CC(Cc3ccccc3F)N","InChI=1S/C22H26FN3O2/c23-20-11-5-4-9-17(20)13-18(24)14-21(27)26-12-6-10-19(26)15-25-22(28)16-7-2-1-3-8-16/h1-5,7-9,11,18-19H,6,10,12-15,24H2,(H,25,28)/t18-,19+/m1/s1","","2005-06-09","2011-06-04","N-({(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide",""],["FPC","D-FRUCTOSE-6-PHOSPHATE (OPEN FORM)","C6 H15 O9 P","O=P(OCC(O)C(O)C(O)C(O)CO)(O)O;OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O","InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-/m1/s1","","2000-09-12","2012-05-07","6-O-phosphono-D-altritol",""],["FPD","5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROBICYCLOMYCIN","C19 H24 N2 O8 S","O=Cc3cc(SCC1C2(O)NC(=O)C(OCC1)(NC2=O)C(O)C(O)(C)CO)ccc3;C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)[CH](CCO2)CSc3cccc(C=O)c3;CC(CO)(C(C12C(=O)NC(C(CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O","InChI=1S/C19H24N2O8S/c1-17(27,10-23)14(24)19-16(26)20-18(28,15(25)21-19)12(5-6-29-19)9-30-13-4-2-3-11(7-13)8-22/h2-4,7-8,12,14,23-24,27-28H,5-6,9-10H2,1H3,(H,20,26)(H,21,25)/t12-,14-,17-,18+,19-/m0/s1","","2004-10-21","2011-06-04","3-[({(1S,5R,6R)-6-hydroxy-8,10-dioxo-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]dec-5-yl}methyl)sulfanyl]benzaldehyde",""],["FPE","3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID","C3 H6 F O6 P","O=P(O)(O)OC(C(=O)O)CF;OC(=O)[CH](CF)O[P](O)(O)=O;C(C(C(=O)O)OP(=O)(O)O)F","InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1","","2003-05-21","2011-06-04","(2R)-3-fluoro-2-(phosphonooxy)propanoic acid",""],["FPF","(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate","C15 H27 F O7 P2","FC(=C(C)CCC=C(/C)CCC=C(/C)C)COP(=O)(OP(=O)(O)O)O;CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C","InChI=1S/C15H27FO7P2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-22-25(20,21)23-24(17,18)19/h7,9H,5-6,8,10-11H2,1-4H3,(H,20,21)(H2,17,18,19)/b13-9+,15-14-","","2007-12-19","2011-06-04","(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate",""],["FPG","(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE","C10 H23 F O7 P2","O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O;CC(C)CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)[CH](C)F;CC(C)CCCC(C)(C(C)F)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9-,10+/m1/s1","","2007-01-24","2011-06-04","(1S)-1-[(1R)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate",""],["FPH","3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL","C18 H12 F N3 O","Fc4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4;On1c2cccnc2c(c3ccc(F)cc3)c1c4ccncc4;c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1","InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H","3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE","2003-04-09","2020-06-17","3-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-1-ol",""],["FPI","N-FORMYLPIPERIDINE","C6 H11 N O","O=CN1CCCCC1;O=CN1CCCCC1;C1CCN(CC1)C=O","InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2","","1999-07-08","2011-06-04","piperidine-1-carbaldehyde",""],["FPJ","5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine","C13 H19 N6 O7 P","c2n(c1c(c(ncn1)N)n2)C3C(C(O)C(COP(NC(=O)CC)(O)=O)O3)O;CCC(=O)N[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCC(=O)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H19N6O7P/c1-2-7(20)18-27(23,24)25-3-6-9(21)10(22)13(26-6)19-5-17-8-11(14)15-4-16-12(8)19/h4-6,9-10,13,21-22H,2-3H2,1H3,(H2,14,15,16)(H2,18,20,23,24)/t6-,9-,10-,13-/m1/s1","","2018-04-11","2024-09-27","5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine","2018-08-08"],["FPK","1-formyl-L-proline","C6 H9 N O3","O=CN1C(C(=O)O)CCC1;OC(=O)[CH]1CCCN1C=O;C1CC(N(C1)C=O)C(=O)O","InChI=1S/C6H9NO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1","","2012-10-08","2024-09-27","1-formyl-L-proline","2013-05-29"],["FPL","5-fluoro-2-phenoxyphenol","C12 H9 F O2","Fc2ccc(Oc1ccccc1)c(O)c2;Oc1cc(F)ccc1Oc2ccccc2;c1ccc(cc1)Oc2ccc(cc2O)F","InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H","","2013-05-15","2013-05-31","5-fluoro-2-phenoxyphenol","2013-06-05"],["FPM","(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","C12 H15 N O5 S","O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O;C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCCO3;CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O","InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1","Faropenem","2007-11-27","2021-03-01","(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid",""],["FPN","4-FLUOROPHENOL","C6 H5 F O","Fc1ccc(O)cc1;Oc1ccc(F)cc1;c1cc(ccc1O)F","InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H","","2004-11-03","2011-06-04","4-fluorophenol",""],["FPO","FLUORO-PHOSPHITE ION","F O3 P","[O-]P([O-])(F)=O;[O-][P]([O-])(F)=O;[O-]P(=O)([O-])F","InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2","","1999-07-08","2011-06-04","fluorophosphate",""],["FPP","FARNESYL DIPHOSPHATE","C15 H28 O7 P2","O=P(OC/C=C(/CCC=C(/C)CCC=C(/C)C)C)(OP(=O)(O)O)O;CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C","InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+","","1999-07-08","2011-06-04","(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate",""],["FPQ","(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid","C18 H31 O7 P","O=C(O)C(OC/C=C(/C)CCC=C(/C)CCC=C(/C)C)COP(=O)(O)O;CC(C)=CCCC(C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O;CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O)O)C)C)C","InChI=1S/C18H31O7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-24-17(18(19)20)13-25-26(21,22)23/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,19,20)(H2,21,22,23)/b15-9+,16-11-/t17-/m1/s1","","2011-11-22","2012-05-04","(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid",""],["FPR","(3S)-3-amino-4-oxo-7-phenylheptanoic acid","C13 H17 N O3","O=C(O)CC(N)C(=O)CCCc1ccccc1;N[CH](CC(O)=O)C(=O)CCCc1ccccc1;c1ccc(cc1)CCCC(=O)C(CC(=O)O)N","InChI=1S/C13H17NO3/c14-11(9-13(16)17)12(15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,16,17)/t11-/m0/s1","","2003-11-19","2024-09-27","(3S)-3-amino-4-oxo-7-phenylheptanoic acid",""],["FPS","S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE","C15 H28 O6 P2 S","O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(C)CCC=C(/C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C","InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+","FARNESYL THIOPYROPHOSPHATE","2005-03-16","2021-03-01","S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate",""],["FPT","N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA","C16 H16 F N5 O S","S=C(Nc1ncc(C#N)cc1)NCCc2nccc(OCC)c2F;CCOc1ccnc(CCNC(=S)Nc2ccc(cn2)C#N)c1F;CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N","InChI=1S/C16H16FN5OS/c1-2-23-13-6-8-19-12(15(13)17)5-7-20-16(24)22-14-4-3-11(9-18)10-21-14/h3-4,6,8,10H,2,5,7H2,1H3,(H2,20,21,22,24)","","2000-01-26","2011-06-04","1-(5-cyanopyridin-2-yl)-3-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea",""],["FPU","1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea","C26 H24 N4 O4","O=C(Nc3ncc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)NC5CC5c4ccccc4;COc1cc2nccc(Oc3ccc(NC(=O)N[CH]4C[CH]4c5ccccc5)nc3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)NC4CC4c5ccccc5","InChI=1S/C26H24N4O4/c1-32-23-13-19-20(14-24(23)33-2)27-11-10-22(19)34-17-8-9-25(28-15-17)30-26(31)29-21-12-18(21)16-6-4-3-5-7-16/h3-11,13-15,18,21H,12H2,1-2H3,(H2,28,29,30,31)/t18-,21+/m0/s1","","2011-10-05","2012-08-24","1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea","2012-08-24"],["FPW","1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide","C29 H24 N4 O5","O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(Oc3c4cc(OC)c(OC)cc4ncc3)cc5;COc1cc2nccc(Oc3ccc(NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5","InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)","","2011-10-05","2012-08-24","1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide","2012-08-24"],["FPX","N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide","C29 H22 F3 N5 O2","FC(F)(F)c1cccc(c1)C(=O)Nc5cc(C4=Cc2c(nc(nc2)Nc3ccccc3)N(C4=O)C)c(cc5)C;CN1C(=O)C(=Cc2cnc(Nc3ccccc3)nc12)c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C;Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C29H22F3N5O2/c1-17-11-12-22(34-26(38)18-7-6-8-20(13-18)29(30,31)32)15-23(17)24-14-19-16-33-28(35-21-9-4-3-5-10-21)36-25(19)37(2)27(24)39/h3-16H,1-2H3,(H,34,38)(H,33,35,36)","","2011-10-05","2012-08-24","N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide","2012-08-24"],["FPY","(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE","C4 H5 F N2 O2","FC1=CNC(=O)NC1O;O[CH]1NC(=O)NC=C1F;C1=C(C(NC(=O)N1)O)F","InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1","5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE","2003-11-10","2020-06-17","(4S)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one",""],["FPZ","triphenylphosphane","C18 H15 P","c1cccc(c1)P(c2ccccc2)c3ccccc3;c1ccc(cc1)P(c2ccccc2)c3ccccc3;c1ccc(cc1)P(c2ccccc2)c3ccccc3","InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H","","2017-11-10","2018-11-02","triphenylphosphane","2018-11-07"],["FQ0","2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol","C18 H32 O3","CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO;CC(=CCCC(=CCCC(=CCOC(CO)CO)C)C)C","InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-18(13-19)14-20/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+","","2020-06-12","2021-04-23","2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol","2021-04-28"],["FQ1","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","C29 H38 F2 N2 O8 S","c1(OC)ccc(cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)OC3CCOC4OCCC34)O)CC(C)C)=O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2cc(F)cc(F)c2)NC(=O)O[CH]3CCO[CH]4OCC[CH]34;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H38F2N2O8S/c1-18(2)16-33(42(36,37)23-6-4-22(38-3)5-7-23)17-26(34)25(14-19-12-20(30)15-21(31)13-19)32-29(35)41-27-9-11-40-28-24(27)8-10-39-28/h4-7,12-13,15,18,24-28,34H,8-11,14,16-17H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1","","2018-04-11","2019-04-26","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","2019-05-01"],["FQ3","2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde","C11 H12 O3","CC1(C)OCc2cc(C=O)ccc2O1;CC1(OCc2cc(ccc2O1)C=O)C","InChI=1S/C11H12O3/c1-11(2)13-7-9-5-8(6-12)3-4-10(9)14-11/h3-6H,7H2,1-2H3","2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde","2020-06-12","2024-05-31","2,2-dimethyl-4~{H}-1,3-benzodioxine-6-carbaldehyde","2024-06-05"],["FQ4","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","C29 H39 F N2 O8 S","c1(OC)ccc(cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(=O)OC3CCOC4C3CCO4)O)=O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(F)cc2)NC(=O)O[CH]3CCO[CH]4OCC[CH]34;CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H39FN2O8S/c1-19(2)17-32(41(35,36)23-10-8-22(37-3)9-11-23)18-26(33)25(16-20-4-6-21(30)7-5-20)31-29(34)40-27-13-15-39-28-24(27)12-14-38-28/h4-11,19,24-28,33H,12-18H2,1-3H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1","","2018-04-11","2019-04-26","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","2019-05-01"],["FQ5","8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C23 H23 Cl N6 O","Clc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45;c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5","InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)","","2018-07-23","2019-06-07","8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQ6","4H-1,3-benzodioxine-6-carbaldehyde","C9 H8 O3","O=Cc1ccc2OCOCc2c1;c1cc2c(cc1C=O)COCO2","InChI=1S/C9H8O3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-4H,5-6H2","4H-benzo[d][1,3]dioxine-6-carbaldehyde","2020-06-12","2024-06-07","4~{H}-1,3-benzodioxine-6-carbaldehyde","2024-06-12"],["FQ7","2-[(3,5-dichlorophenyl)amino]benzoic acid","C13 H9 Cl2 N O2","c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2;OC(=O)c1ccccc1Nc2cc(Cl)cc(Cl)c2;c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl","InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)","","2018-04-11","2019-04-12","2-[(3,5-dichlorophenyl)amino]benzoic acid","2019-04-17"],["FQ8","[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{R},3~{R},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate","C15 H35 O22 P3","OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O","InChI=1S/C15H35O22P3/c16-1-7(17)13(23)9(19)3-34-39(29,30)36-5-11(21)15(25)12(22)6-37-40(31,32)35-4-10(20)14(24)8(18)2-33-38(26,27)28/h7-25H,1-6H2,(H,29,30)(H,31,32)(H2,26,27,28)/t7-,8-,9+,10+,11+,12-,13-,14-,15+/m0/s1","","2018-07-23","2018-09-21","[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{R},3~{R},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate","2018-09-26"],["FQ9","(2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde","C10 H10 O3","C[CH]1OCc2cc(C=O)ccc2O1;CC1OCc2cc(ccc2O1)C=O","InChI=1S/C10H10O3/c1-7-12-6-9-4-8(5-11)2-3-10(9)13-7/h2-5,7H,6H2,1H3/t7-/m0/s1","(2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde","2020-06-12","2024-05-31","(2~{S})-2-methyl-4~{H}-1,3-benzodioxine-6-carbaldehyde","2024-06-05"],["FQA","N~6~-benzyl-L-lysine","C13 H20 N2 O2","NC(C(O)=O)CCCCNCc1ccccc1;N[CH](CCCCNCc1ccccc1)C(O)=O;c1ccc(cc1)CNCCCCC(C(=O)O)N","InChI=1S/C13H20N2O2/c14-12(13(16)17)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10,14H2,(H,16,17)/t12-/m0/s1","","2018-04-12","2024-09-27","N~6~-benzyl-L-lysine","2019-04-10"],["FQB","8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C27 H33 N7 O","CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45;CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5","InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35)","","2018-07-23","2019-06-07","8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQC","3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one","C16 H8 Cl2 F N5 O","Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl;c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl","InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H","Fluquinconazole","2015-10-20","2021-03-01","3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one","2016-02-10"],["FQD","5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one","C12 H7 F N2 O S","c2(c1ccc(F)cc1)csc3c2C(=O)NC=N3;Fc1ccc(cc1)c2csc3N=CNC(=O)c23;c1cc(ccc1c2csc3c2C(=O)NC=N3)F","InChI=1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)","","2018-04-13","2018-04-27","5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one","2018-05-02"],["FQE","8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C27 H33 N7 O","CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45;CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5","InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)","","2018-07-23","2019-06-07","8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQF","(2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol","C18 H32 O3","CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO;CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C","InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1","","2020-06-15","2021-04-23","(2~{R})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol","2021-04-28"],["FQG","5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide","C26 H23 Cl2 N5 O3","C(c3nn(c(NC(c1c(Cl)cc(Cl)c(c1)c2ncccc2)=O)c3)c4ccccc4)(=O)NCC(O)(C)C;CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)c3ccccn3)n(n1)c4ccccc4;CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O","InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)","","2018-04-13","2018-04-27","5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide","2018-05-02"],["FQH","8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C24 H23 F3 N6 O","FC(F)(F)c1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45;c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5","InChI=1S/C24H23F3N6O/c25-24(26,27)19-3-1-2-18(12-19)17-6-10-32(11-7-17)9-5-16-13-31-33(14-16)22-21-20(4-8-28-22)23(34)30-15-29-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,29,30,34)","","2018-07-23","2019-06-07","8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQI","5-CHLORO-2-THIOPHENECARBOXAMIDE","C5 H4 Cl N O S","O=C(N)c1sc(Cl)cc1;NC(=O)c1sc(Cl)cc1;c1cc(sc1C(=O)N)Cl","InChI=1S/C5H4ClNOS/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)","","2014-12-09","2015-08-21","5-chlorothiophene-2-carboxamide","2015-08-26"],["FQJ","2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide","C17 H13 Cl2 N3 O","n1n(c(cc1C)NC(c2ccc(cc2Cl)Cl)=O)c3ccccc3;Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)c3ccccc3;Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl","InChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)","","2018-04-13","2018-04-27","2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide","2018-05-02"],["FQK","8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C20 H24 N6 O","O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)CC5CCC5;c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5","InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27)","","2018-07-23","2019-06-07","8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQL","(2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide","C17 H20 Cl2 N4 O3","CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O;CC(C(C(=O)NCC=CCN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O","InChI=1S/C17H20Cl2N4O3/c1-10(24)15(20-2)16(25)21-5-3-4-6-23-9-22-14-8-13(19)12(18)7-11(14)17(23)26/h3-4,7-10,15,20,24H,5-6H2,1-2H3,(H,21,25)/b4-3+/t10-,15+/m1/s1","","2020-06-15","2020-10-02","(2~{S},3~{R})-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide","2020-10-07"],["FQM","5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide","C22 H17 Cl N6 O2","c1ccc(cc1)n2c(cc(C(=O)N)n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O;NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3)n(n1)c4ccccc4;c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N","InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)","","2018-04-13","2018-04-27","5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide","2018-05-02"],["FQN","8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C20 H24 N6 O","O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)C5CCCC5;c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5","InChI=1S/C20H24N6O/c27-20-17-5-8-21-19(18(17)22-13-23-20)26-12-15(11-24-26)14-6-9-25(10-7-14)16-3-1-2-4-16/h5,8,11-14,16H,1-4,6-7,9-10H2,(H,22,23,27)","","2018-07-23","2019-06-07","8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQP","4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE","C6 H8 F3 N3 O7 P2","FC(F)(F)c1nc(N)c(cn1)COP(=O)(O)OP(=O)(O)O;Nc1nc(ncc1CO[P](O)(=O)O[P](O)(O)=O)C(F)(F)F;c1c(c(nc(n1)C(F)(F)F)N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)","","2000-11-10","2011-06-04","[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate",""],["FQQ","8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C24 H25 Cl N6 O","CC1(CCN(CCc2cnn(c2)c3nccc4C(=O)NC=Nc34)CC1)c5cccc(Cl)c5;CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl","InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32)","","2018-07-23","2019-06-07","8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2019-06-12"],["FQR","[(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate","C16 H17 Br Cl N3 O4","C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c(Cl)cc2C1=O;CC(C(C(=O)OCC=CCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O","InChI=1S/C16H17BrClN3O4/c1-9(22)14(19)16(24)25-5-3-2-4-21-8-20-13-7-11(17)12(18)6-10(13)15(21)23/h2-3,6-9,14,22H,4-5,19H2,1H3/b3-2+/t9-,14+/m1/s1","","2020-06-15","2020-10-02","[(~{E})-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate","2020-10-07"],["FQT","[(2~{S})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate","C24 H43 N3 O15 P2","CCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=C(N)NC2=O)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC","InChI=1S/C24H43N3O15P2/c1-3-5-7-9-19(28)37-13-16(40-20(29)10-8-6-4-2)14-38-43(33,34)42-44(35,36)39-15-17-21(30)22(31)23(41-17)27-12-11-18(25)26-24(27)32/h11,16-17,21-23,30-31H,3-10,12-15,25H2,1-2H3,(H,26,32)(H,33,34)(H,35,36)/t16-,17+,21+,22+,23+/m0/s1","","2018-07-24","2019-05-10","[(2~{S})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate","2019-05-15"],["FQU","5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate","C17 H21 Br Cl N3 O4","C[CH](O)[CH](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O;CC(C(C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O","InChI=1S/C17H21BrClN3O4/c1-10(23)15(20)17(25)26-6-4-2-3-5-22-9-21-14-8-12(18)13(19)7-11(14)16(22)24/h7-10,15,23H,2-6,20H2,1H3/t10-,15+/m1/s1","","2020-06-15","2020-10-02","5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate","2020-10-07"],["FQV","4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide","C10 H11 N O2 S Se","C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O;CC#CC[Se]c1ccc(cc1)[S](N)(=O)=O;CC#CC[Se]c1ccc(cc1)S(=O)(=O)N","InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)","","2018-04-16","2018-06-08","4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide","2018-06-13"],["FQW","2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one","C20 H18 N4 O","O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc4;NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c4ccccc4;c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N","InChI=1S/C20H18N4O/c21-20-23-18-16(19(25)24-20)15(12-11-13-7-3-1-4-8-13)17(22-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H4,21,22,23,24,25)","","2014-01-16","2015-01-16","2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2015-01-21"],["FQX","[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide","C8 H4 N4 O4","[O-][n+]3onc2c3cc1NC(=O)C(=O)Nc1c2;[O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12;c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]","InChI=1S/C8H4N4O4/c13-7-8(14)10-4-2-6-5(1-3(4)9-7)11-16-12(6)15/h1-2H,(H,9,13)(H,10,14)","","2008-04-03","2011-06-04","[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide",""],["FQY","4-(cyclohexylselanyl)benzene-1-sulfonamide","C12 H17 N O2 S Se","c1c(ccc(c1)[Se]C2CCCCC2)S(N)(=O)=O;N[S](=O)(=O)c1ccc([Se]C2CCCCC2)cc1;c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2","InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)","","2018-04-16","2018-06-08","4-(cyclohexylselanyl)benzene-1-sulfonamide","2018-06-13"],["FQZ","(1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid","C8 H14 O4","C[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O;CC1CC(CC(C1O)O)C(=O)O","InChI=1S/C8H14O4/c1-4-2-5(8(11)12)3-6(9)7(4)10/h4-7,9-10H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7+/m0/s1","","2018-07-25","2024-09-27","(1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid","2019-07-24"],["FR0","N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE","C16 H15 N7 S2","N(=C(/N)N)c4nc(c1sc(cc1)CNc2nc3ccccc3n2)cs4;NC(N)=Nc1scc(n1)c2sc(CNc3[nH]c4ccccc4n3)cc2;c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N","InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)","FR117016","2002-12-13","2021-03-01","2-(4-{5-[(1H-benzimidazol-2-ylamino)methyl]thiophen-2-yl}-1,3-thiazol-2-yl)guanidine",""],["FR1","2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID","C26 H33 F3 N4 O7","O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)NCC(=O)O)cc1)C(C)C)CCC2;CC(C)[CH](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O)C(=O)N2CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F)(F)F;CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O","InChI=1S/C26H33F3N4O7/c1-13(2)19(21(36)26(27,28)29)31-24(39)17-6-5-11-33(17)25(40)20(14(3)4)32-23(38)16-9-7-15(8-10-16)22(37)30-12-18(34)35/h7-10,13-14,17,19-20H,5-6,11-12H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,34,35)/t17-,19-,20-/m0/s1","","2002-09-06","2024-09-27","N-({4-[(carboxymethyl)carbamoyl]phenyl}carbonyl)-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-L-prolinamide",""],["FR2","1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","C14 H17 N3 O2","O=C(c1ncn(c1)C(CO)CCc2ccccc2)N;NC(=O)c1cn(cn1)[CH](CO)CCc2ccccc2;c1ccc(cc1)CCC(CO)n2cc(nc2)C(=O)N","InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1","FR221647","2002-12-13","2020-06-17","1-[(1R)-1-(hydroxymethyl)-3-phenylpropyl]-1H-imidazole-4-carboxamide",""],["FR3","1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","C18 H19 N3 O2","O=C(c1ncn(c1)C(CO)CCc3c2ccccc2ccc3)N;NC(=O)c1cn(cn1)[CH](CO)CCc2cccc3ccccc23;c1ccc2c(c1)cccc2CCC(CO)n3cc(nc3)C(=O)N","InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1","FR230513","2002-12-13","2020-06-17","1-[(1R)-1-(hydroxymethyl)-3-naphthalen-1-ylpropyl]-1H-imidazole-4-carboxamide",""],["FR4","1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","C25 H27 N5 O3","O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4ccccc4;NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23;c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CCC(CO)n4cc(nc4)C(=O)N","InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)/t21-/m1/s1","1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPYL)AMINO]-1H-INDOL-1-YL}-1H-IMIDAZOLE-4-CARBOXAMIDE; FR233624","2003-10-05","2020-05-27","1-[(1R)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide",""],["FR5","1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","C27 H29 N7 O3","O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C;Cn1c(CCC(=O)Nc2ccc3ccn(CC[CH](CO)n4cnc(c4)C(N)=O)c3c2)nc5ccccc15;Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CCC(CO)n5cc(nc5)C(=O)N","InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1","FR235999","2002-12-13","2021-03-01","1-[(1R)-1-(hydroxymethyl)-3-(6-{[3-(1-methyl-1H-benzimidazol-2-yl)propanoyl]amino}-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide",""],["FR6","1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE","C19 H21 N3 O2","O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N;C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O;CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O","InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1","FR233623","2003-12-16","2021-03-01","1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide",""],["FR7","1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE","C15 H17 Cl2 N3 O2","Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)N)C(O)C;C[CH](O)[CH](CCc1cccc(Cl)c1Cl)n2cnc(c2)C(N)=O;CC(C(CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O","InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1","FR239087","2003-12-16","2020-06-17","1-{(1R,2S)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl}-1H-imidazole-4-carboxamide",""],["FR8","1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","C27 H31 N5 O3","O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCCCc4ccccc4;NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc23;c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CCC(CO)n4cc(nc4)C(=O)N","InChI=1S/C27H31N5O3/c28-27(35)24-17-32(19-29-24)23(18-33)13-15-31-14-12-21-10-11-22(16-25(21)31)30-26(34)9-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-12,14,16-17,19,23,33H,4-5,8-9,13,15,18H2,(H2,28,35)(H,30,34)/t23-/m1/s1","FR235380","2003-09-15","2021-03-01","1-[(1R)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide",""],["FR9","1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE","C24 H26 N6 O3","O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)NCc4ccccc4;NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc23;c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CCC(CO)n4cc(nc4)C(=O)N","InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1","FR236913","2003-10-05","2020-06-17","1-[(1R)-3-{6-[(benzylcarbamoyl)amino]-1H-indol-1-yl}-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide",""],["FRA","[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID","C21 H23 N3 O7","O=C(O)COC(=O)NC12CCC(CC1)C3C(=O)N(C(=O)C23)c4ccc(NC(=O)C)cc4;CC(=O)Nc1ccc(cc1)N2C(=O)[CH]3C4CCC(CC4)(NC(=O)OCC(O)=O)[CH]3C2=O;CC(=O)Nc1ccc(cc1)N2C(=O)C3C4CCC(C3C2=O)(CC4)NC(=O)OCC(=O)O","InChI=1S/C21H23N3O7/c1-11(25)22-13-2-4-14(5-3-13)24-18(28)16-12-6-8-21(9-7-12,17(16)19(24)29)23-20(30)31-10-15(26)27/h2-5,12,16-17H,6-10H2,1H3,(H,22,25)(H,23,30)(H,26,27)/t12-,16-,17+,21-/m1/s1","","1999-07-08","2011-06-04","[({(3aR,4R,7R,7aR)-2-[4-(acetylamino)phenyl]-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl}carbamoyl)oxy]acetic acid",""],["FRB","2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE","C25 H33 Cl2 N7 O2","O=C(NCC(=O)N3CCC(c1cc(nn1)c2cccc(Cl)c2Cl)CC3)C(NC(=[N@H])N)C4CCCCC4;NC(=N)N[CH](C1CCCCC1)C(=O)NCC(=O)N2CCC(CC2)c3[nH]nc(c3)c4cccc(Cl)c4Cl;c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)C(C4CCCCC4)NC(=N)N","InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1","SP2456","2003-07-17","2020-06-17","(2R)-2-carbamimidamido-2-cyclohexyl-N-(2-{4-[3-(2,3-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)ethanamide",""],["FRC","1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE","C19 H21 N3 O3","O=C(c1ncn(c1)C(C(O)C)CCOc3cc2ccccc2cc3)N;C[CH](O)[CH](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O;CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O","InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1","FR247581","2003-12-16","2021-03-01","3-(4-carbamoyl-1H-imidazol-1-yl)-1,3,4-trideoxy-5-O-naphthalen-2-yl-D-erythro-pentitol",""],["FRD","1-PHENYL-2-AMINOPROPANE","C9 H13 N","NC(Cc1ccccc1)C;C[CH](N)Cc1ccccc1;CC(Cc1ccccc1)N","InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1","","1999-07-08","2024-09-27","(2R)-1-phenylpropan-2-amine",""],["FRE","FERULOYL COENZYME A","C31 H44 N7 O20 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc4cc(O)c(O)c(OC)c4;COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)cc(O)c1O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=Cc4cc(c(c(c4)OC)O)O)O","InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26+,30-/m1/s1","","2004-03-30","2011-06-04","S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate (non-preferred name)",""],["FRF","PHE-REDUCED-PHE","C18 H22 N2 O2","O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2;N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2;c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N","InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1","","2002-02-27","2011-12-12","N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine",""],["FRG","2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER","C26 H30 N4 O3","O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C1)Cc3ccc(C#Cc2ccccc2)cc3;COC(=O)[CH](Cc1ccc(cc1)C#Cc2ccccc2)NC(=O)C[CH]3CCCN(C3)C(N)=N;[H]N=C(N)N1CCCC(C1)CC(=O)NC(Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC","InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1","(R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER","2002-07-03","2021-03-01","methyl N-{[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}-4-(phenylethynyl)-L-phenylalaninate",""],["FRH","5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID","C30 H37 Cl2 N7 O6","O=C(NCC(=O)N4CCC(c1cc(nn1C)c3ccc(OCc2oc(cc2)C(=O)O)c(Cl)c3Cl)CC4)C(NC(=[N@H])N)CC(C)C;CC(C)C[CH](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4oc(cc4)C(O)=O)c(Cl)c3Cl;[H]N=C(N)NC(CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O","InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/t21-/m1/s1","","2003-08-05","2011-06-04","N~2~-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide",""],["FRI","2-GUANIDINO-4-METHYL-PENTANOIC ACID\n[2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE","C33 H42 Cl2 N8 O4","O=C(Nc1ccc(cc1)COc4ccc(c2nn(c(c2)C3CCN(C(=O)CNC(=O)C(NC(=[N@H])N)CC(C)C)CC3)C)c(Cl)c4Cl)C;CC(C)C[CH](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4ccc(NC(C)=O)cc4)c(Cl)c3Cl;CC(C)CC(C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N","InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)/t26-/m1/s1","SP4160","2003-09-05","2020-06-17","N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N~2~-carbamimidoyl-D-leucinamide",""],["FRJ","3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE","C26 H19 Br2 N3 O7 S3","O=S(=O)(Nc1nccs1)c5ccc(NS(=O)(=O)c4ccc3c(C(=O)c2cc(Br)c(O)c(Br)c2)c(oc3c4)CC)cc5;CCc1oc2cc(ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3)[S](=O)(=O)Nc4ccc(cc4)[S](=O)(=O)Nc5sccn5;CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br","InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)","","2004-04-30","2011-06-04","3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide",""],["FRK","N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE","C21 H22 N2 O3 S","O=C(Nc2nc(c1ccc(O)cc1)c(s2)c3ccc(O)cc3)CCCCC;CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c3ccc(O)cc3;CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O","InChI=1S/C21H22N2O3S/c1-2-3-4-5-18(26)22-21-23-19(14-6-10-16(24)11-7-14)20(27-21)15-8-12-17(25)13-9-15/h6-13,24-25H,2-5H2,1H3,(H,22,23,26)","FR104783","2005-02-07","2021-03-01","N-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide",""],["FRL","1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","C22 H21 Cl N4 O3","O=C(N)c1ncn(c1)C(C(O)C)CCc2cccc3nc(oc23)c4ccc(Cl)cc4;C[CH](O)[CH](CCc1cccc2nc(oc12)c3ccc(Cl)cc3)n4cnc(c4)C(N)=O;CC(C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O","InChI=1S/C22H21ClN4O3/c1-13(28)19(27-11-18(21(24)29)25-12-27)10-7-14-3-2-4-17-20(14)30-22(26-17)15-5-8-16(23)9-6-15/h2-6,8-9,11-13,19,28H,7,10H2,1H3,(H2,24,29)/t13-,19-/m0/s1","FR266364","2005-02-07","2021-03-01","1-[(1S,2S)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl]-1H-imidazole-4-carboxamide",""],["FRM","2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE","C23 H24 F N3 O","Fc4ccc(C3=CCN(CCCC1=Nc2c(C(=O)N1)cccc2C)CC3)cc4;Cc1cccc2C(=O)NC(=Nc12)CCCN3CCC(=CC3)c4ccc(F)cc4;Cc1cccc2c1N=C(NC2=O)CCCN3CCC(=CC3)c4ccc(cc4)F","InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)","","2003-08-15","2011-06-04","2-{3-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]propyl}-8-methylquinazolin-4(3H)-one",""],["FRO","(5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE","C12 H14 N O5 S","O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C([O-])=O;C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C([O-])=O)[CH]3CCCO3;CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-])O","InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/p-1/t5-,6+,7-,11+/m0/s1","FAROM","2005-11-15","2012-11-01","(5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate",""],["FRP","N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE","C33 H41 F N4 O3","Fc3ccc(NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)Cc2ccccc2)cc3;CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2)[CH](N)C[CH](C)C(=O)Nc3ccc(F)cc3;CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(CC(C)C(=O)Nc3ccc(cc3)F)N","InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1","","2005-12-30","2011-06-04","N'-{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamide",""],["FRQ","5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE","C23 H24 F N3 O2","Fc1cccc2c1C(=O)NC(=O)N2CCCCN4CC=C(c3ccccc3)CC4;Fc1cccc2N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12;c1ccc(cc1)C2=CCN(CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F","InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)","","2003-08-14","2011-06-04","5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]quinazoline-2,4(1H,3H)-dione",""],["FRR","(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE","C19 H22 O7","O=C1OC(CC=CC(=O)C(O)C(O)CC=Cc2cc(OC)cc(O)c12)C;COc1cc(O)c2C(=O)O[CH](C)CC=CC(=O)[CH](O)[CH](O)CC=Cc2c1;CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O","InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15+,18-/m1/s1","","2006-10-26","2011-06-04","(3R,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione",""],["FRS","1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea","C18 H17 F3 N10 O2 S","O=C(N=C1/SC(=CN1)CCNc3ncnc(Nc2ncnn2)c3)Nc4cc(oc4C(F)(F)F)C;Cc1oc(c(NC(=O)N=C2NC=C(CCNc3cc(Nc4n[nH]cn4)ncn3)S2)c1)C(F)(F)F;Cc1cc(c(o1)C(F)(F)F)NC(=O)N=C2NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4","InChI=1S/C18H17F3N10O2S/c1-9-4-11(14(33-9)18(19,20)21)28-16(32)30-17-23-6-10(34-17)2-3-22-12-5-13(25-7-24-12)29-15-26-8-27-31-15/h4-8H,2-3H2,1H3,(H2,23,28,30,32)(H3,22,24,25,26,27,29,31)","","2008-06-10","2011-06-04","1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea",""],["FRT","N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE","C20 H26 N6 O3 S","O=S(=O)(NCCOC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C;COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1;Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC","InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)","","2008-08-08","2011-06-04","N-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide",""],["FRU","beta-D-fructofuranose","C6 H12 O6","OC1C(O)C(OC1(O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1","beta-D-fructose; D-fructose; fructose","1999-07-08","2020-07-17","beta-D-fructofuranose",""],["FRV","4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE","C18 H20 N6 O2 S","O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C4CC4)C;CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C4CC4)cc1;Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC","InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)","","2008-08-08","2011-06-04","4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide",""],["FRW","4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid","C24 H30 F3 N3 O6","O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)O)cc1)C(C)C)CCC2;CC(C)[CH](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F)(F)F;CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)c2ccc(cc2)C(=O)O","InChI=1S/C24H30F3N3O6/c1-12(2)17(19(31)24(25,26)27)28-21(33)16-6-5-11-30(16)22(34)18(13(3)4)29-20(32)14-7-9-15(10-8-14)23(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t16-,17-,18-/m0/s1","","2009-05-26","2024-09-27","N-[(4-carboxyphenyl)carbonyl]-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-L-prolinamide",""],["FRX","(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","C20 H19 Cl N4 O4 S","Clc2sc1nc(cc1c2)C(=O)NC4C(=O)N(c3ccccc3C4)CC(=O)NCCO;OCCNC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3;c1ccc2c(c1)CC(C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl","InChI=1S/C20H19ClN4O4S/c21-16-9-12-8-13(24-19(12)30-16)18(28)23-14-7-11-3-1-2-4-15(11)25(20(14)29)10-17(27)22-5-6-26/h1-4,8-9,14,24,26H,5-7,10H2,(H,22,27)(H,23,28)/t14-/m0/s1","","2006-11-02","2011-06-04","2-chloro-N-[(3S)-1-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide",""],["FRY","(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","C18 H15 Cl N4 O3 S","ClC2SC1=NC(=CC1=C2)C(=O)NC4C(=O)N(c3ccccc3C4)CC(=O)N;NC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)C3=CC4=C[CH](Cl)SC4=N3;c1ccc2c(c1)CC(C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl","InChI=1S/C18H15ClN4O3S/c19-14-7-10-6-11(22-17(10)27-14)16(25)21-12-5-9-3-1-2-4-13(9)23(18(12)26)8-15(20)24/h1-4,6-7,12,14H,5,8H2,(H2,20,24)(H,21,25)/t12-,14+/m0/s1","","2006-11-01","2011-06-04","(2S)-N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide",""],["FRZ","5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE","C18 H13 N7","n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5)N;Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5ccccc5;c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N","InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)","FR180204","2004-07-02","2020-06-17","5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine",""],["FS0","FE2/S3 CLUSTER","Fe2 H S3","[Fe]1S[Fe](S1)S;S[Fe]1S[Fe]S1;S[Fe]1S[Fe]S1","InChI=1S/2Fe.H2S.2S/h;;1H2;;/q;+1;;;/p-1","","2018-06-04","2018-06-08","sulfanyl(di-mu-sulfide)diiron","2018-06-13"],["FS1","IRON/SULFUR CLUSTER","Fe S","[Fe]=S;S=[Fe];S=[Fe]","InChI=1S/Fe.S","","2005-12-08","2011-06-04","thioxoiron",""],["FS2","FE-S-O HYBRID CLUSTER","Fe4 O3 S2","O1[Fe]O[Fe]1O[Fe]2S[Fe]S2;O1[Fe]O2[Fe]134O[Fe]356[S]4[Fe]52S6","InChI=1S/4Fe.3O.2S","","2000-05-26","2023-09-23","",""],["FS3","FE3-S4 CLUSTER","Fe3 S4","S1[Fe]|2|3|4S[Fe]|56|2S[Fe]1|3|5S|46;S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6","InChI=1/3Fe.4S/rFe3S4/c4-1-2(4)3(1,5-1,6-2)7(1)2","","1999-07-08","2008-10-14","",""],["FS4","IRON/SULFUR CLUSTER","Fe4 S4","[Fe]1|2|3|4|5|[Fe]|6|78|9|S1[Fe]|%10%11|2|6S|3[Fe]|4|7|%10(S|58)S|9%11;[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92","InChI=1/4Fe.4S/rFe4S4/c5-1-2(5)3(1,5)4(1,2,6(1)2,7(1)3)8(2)3","","1999-07-08","2008-10-14","",""],["FS5","IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS","Fe8 S13","S(SS[Fe]12|S3[Fe]|4S5|[Fe]3S1|[Fe]5S2|4)SS[Fe]67|S8[Fe]|9S|%10[Fe](S6|9)|S7[Fe]8|%10;S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71","InChI=1S/8Fe.H2S5.8S/c;;;;;;;;1-3-5-4-2;;;;;;;;/h;;;;;;;;1-2H;;;;;;;;/q;;;;;;2*+1;;;;;;;;;/p-2","PENTASULFIDE-LINKED IRON CUBANES","2013-03-21","2020-06-17","","2013-04-10"],["FS6","1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone","C15 H21 N3 O S","CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2;CCc1c(c([nH]c1c2csc(n2)CCNC)C)C(=O)C","InChI=1S/C15H21N3OS/c1-5-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-7-16-4/h8,16-17H,5-7H2,1-4H3","","2022-01-25","2022-09-23","1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["FS7","(2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate","C24 H25 N3 O5 S","O=S(=O)(N)c1ccc(cc1)NC(=O)C(OC(=O)c2c4c(nc3c2CC(CC3)C)cccc4)C;C[CH]1CCc2nc3ccccc3c(C(=O)O[CH](C)C(=O)Nc4ccc(cc4)[S](N)(=O)=O)c2C1;CC1CCc2c(c(c3ccccc3n2)C(=O)OC(C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1","InChI=1S/C24H25N3O5S/c1-14-7-12-21-19(13-14)22(18-5-3-4-6-20(18)27-21)24(29)32-15(2)23(28)26-16-8-10-17(11-9-16)33(25,30)31/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,28)(H2,25,30,31)/t14-,15-/m0/s1","","2013-07-31","2014-08-01","(2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate","2014-08-06"],["FS8","N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide","C31 H27 F N2 O5","Fc2ccc(cc2NC(=O)c1ccccc1)Nc5cc4c(C(=O)c3c(ccc(OCC(O)CO)c3)CC4)cc5;OC[CH](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1;c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OCC(CO)O","InChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m1/s1","","2011-12-14","2012-11-30","N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide","2012-11-30"],["FS9","1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide","C18 H17 F3 N6 O","FC(F)(F)c1cc(ccc1)NC(=O)C4CCN(c3ncnc2c3ncn2)CC4;FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3ncnc4[nH]cnc34)c1;c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F","InChI=1S/C18H17F3N6O/c19-18(20,21)12-2-1-3-13(8-12)26-17(28)11-4-6-27(7-5-11)16-14-15(23-9-22-14)24-10-25-16/h1-3,8-11H,4-7H2,(H,26,28)(H,22,23,24,25)","","2013-07-30","2014-08-01","1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide","2014-08-06"],["FSA","1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose","C8 H14 O7 S","O=C(O)CSCC1(O)OCC(O)C(O)C1O;O[CH]1CO[C](O)(CSCC(O)=O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CSCC(=O)O)O)O)O)O","InChI=1S/C8H14O7S/c9-4-1-15-8(14,7(13)6(4)12)3-16-2-5(10)11/h4,6-7,9,12-14H,1-3H2,(H,10,11)/t4-,6-,7+,8-/m1/s1","1-S-(carboxymethyl)-1-thio-beta-D-fructose; 1-S-(carboxymethyl)-1-thio-D-fructose; 1-S-(carboxymethyl)-1-thio-fructose","2008-06-24","2020-07-17","1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose",""],["FSB","N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE","C14 H13 F N2 O3 S","c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F;c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)","","2000-10-13","2018-04-18","N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide",""],["FSC","FUSICOCCIN","C36 H56 O12","O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)COC(C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C(COC)CC4)C)C;COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](OC(C)=O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC","InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1","","2002-12-12","2012-01-05","(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-4-{[3-O-acetyl-6-O-(1,1-dimethylprop-2-en-1-yl)-alpha-D-glucopyranosyl]oxy}-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate",""],["FSD","amicetin","C29 H42 N6 O9","CC1OC(CCC1OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O;C[CH]1O[CH](CC[CH]1O[CH]2O[CH](C)[CH]([CH](O)[CH]2O)N(C)C)N3C=CC(=NC3=O)NC(=O)c4ccc(NC(=O)[C](C)(N)CO)cc4;CC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)C(C)(CO)N)OC4C(C(C(C(O4)C)N(C)C)O)O","InChI=1S/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)/t15-,16-,19+,21-,22-,23+,24-,26-,29+/m1/s1","(4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide","2018-04-16","2021-03-13","N-{1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-4-[(2-methyl-L-seryl)amino]benzamide","2019-04-10"],["FSE","3,7,3',4'-TETRAHYDROXYFLAVONE","C15 H10 O6","O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3;Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O;c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O","InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H","Fisetin; 2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE","2004-10-14","2020-05-27","2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one",""],["FSF","4FE-2S-O HYBRID CLUSTER","Fe4 O S2","[Fe]|1|2S[Fe]3|1O[Fe][Fe]S|23;O1[Fe][Fe][S]2[Fe]13[Fe]2S3","InChI=1/4Fe.O.2S/rFe4OS2/c1-2-7-3-4(7,5-1)6-3","","2001-10-04","2021-03-29","","2008-10-15"],["FSG","[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL]PHOSPHONIC ACID","C2 H5 F N O5 P","O=C(NO)C(F)P(=O)(O)O;ONC(=O)[CH](F)[P](O)(O)=O;C(C(=O)NO)(F)P(=O)(O)O","InChI=1S/C2H5FNO5P/c3-1(2(5)4-6)10(7,8)9/h1,6H,(H,4,5)(H2,7,8,9)/t1-/m0/s1","","2007-05-09","2011-06-04","[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid",""],["FSH","\n(2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate","C27 H35 N9 O16 P2","O=C1NC(=O)NC13Nc2cc(c(cc2N(C3=O)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C;Cc1cc2N[C]3(NC(=O)NC3=O)C(=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C(=O)C3(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H35N9O16P2/c1-10-3-12-13(4-11(10)2)35(25(43)27(33-12)24(42)32-26(44)34-27)5-14(37)18(39)15(38)6-49-53(45,46)52-54(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,33,37-41H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H2,32,34,42,44)/t14-,15+,16+,18-,19+,20+,23+,27+/m0/s1","","2008-06-04","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["FSI","5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid","C11 H18 F N O9","O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO;CC(=O)N[CH]1[CH](O)[CH](F)[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)F)O","InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1","5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid; 3-FLUOROSIALIC ACID;\n5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;\n5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;\n5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid","2004-01-19","2024-09-27","5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid",""],["FSJ","(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","C19 H35 F N4 O7","C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)OC3OCC(C(C3O)NC)(C)O)N)N;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3OC(=CC[CH]3N)CF)[CH]2O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CF)N)N)N)O","InChI=1S/C19H35FN4O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,21-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1","6'-fluoro sisomicin","2018-01-04","2021-03-01","(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","2018-05-30"],["FSK","6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione","C10 H13 F N2 O3","O=C1C(=C(C=C(/CF)CO)N(C(=O)N1)C)C;CN1C(=O)NC(=O)C(=C1C=C(CO)CF)C;CC1=C(N(C(=O)NC1=O)C)C=C(CO)CF","InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+","","2013-02-21","2013-03-01","6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione","2013-03-06"],["FSL","(2R)-2-phenylbutanedioic acid","C10 H10 O4","O=C(O)C(c1ccccc1)CC(=O)O;OC(=O)C[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(CC(=O)O)C(=O)O","InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m1/s1","","2014-07-23","2024-09-27","(2R)-2-phenylbutanedioic acid","2014-08-20"],["FSM","FORSMANN ANTIGEN","C16 H28 N2 O11","O=C(NC2C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O)C(OC2O)CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](CO)O[CH](O)[CH]2NC(C)=O;CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)O)NC(=O)C)CO)O)O","InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1","2-(ACETYLAMINO)-3-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GALACTOPYRANOSYL]-2-DEOXY-BETA-L-GALACTOPYRANOSE","2006-10-19","2020-07-17","2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-2-deoxy-beta-D-galactopyranose",""],["FSN","(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE","C23 H24 F N4 O2","Fc1ccc(cc1)CN2C(=O)C5C(C2=O)C3N(CCC3)C5c4ccc(C(=[NH2+])N)cc4;NC(=[NH2+])c1ccc(cc1)[CH]2[CH]3[CH]([CH]4CCCN24)C(=O)N(Cc5ccc(F)cc5)C3=O;c1cc(ccc1CN2C(=O)C3C4CCCN4C(C3C2=O)c5ccc(cc5)C(=[NH2+])N)F","InChI=1S/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)/p+1/t17-,18-,19-,20-/m0/s1","","2003-04-08","2011-06-04","amino{4-[(3aS,4R,8aS,8bR)-2-(4-fluorobenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl}methaniminium",""],["FSO","IRON/SULFUR/OXYGEN HYBRID CLUSTER","Fe4 O3 S3","[S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23;O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]","InChI=1S/4Fe.3O.3S/q;;;;;;;;-1;+1","","2000-05-04","2023-09-23","","2000-06-21"],["FSP","[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE","C23 H29 F N4 O4","O=C(C(=O)C(NC(=O)OCC2(Cc1ccc(F)cc1)CCC2)CCCC)Nc3ccnn3;CCCC[CH](NC(=O)OCC1(CCC1)Cc2ccc(F)cc2)C(=O)C(=O)Nc3[nH]ncc3;CCCCC(C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F","InChI=1S/C23H29FN4O4/c1-2-3-5-18(20(29)21(30)27-19-10-13-25-28-19)26-22(31)32-15-23(11-4-12-23)14-16-6-8-17(24)9-7-16/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H,26,31)(H2,25,27,28,30)/t18-/m0/s1","","2004-07-12","2024-09-27","[1-(4-fluorobenzyl)cyclobutyl]methyl {(1S)-1-[oxo(1H-pyrazol-5-ylamino)acetyl]pentyl}carbamate",""],["FSQ","(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid","C8 H14 O5","C[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O;CC1(CC(CC(C1O)O)C(=O)O)O","InChI=1S/C8H14O5/c1-8(13)3-4(7(11)12)2-5(9)6(8)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/t4-,5+,6-,8+/m0/s1","","2018-07-25","2024-09-27","(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","2019-07-24"],["FSR","(2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic\nacid","C11 H17 F2 N O8","FC1(OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO)C(=O)O;CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)F)F)O","InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5+,6-,7+,8+,9-,11+/m0/s1","2,3-difluorosialic acid","2013-10-28","2024-09-27","(2R,3S,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy\nlic acid (non-preferred name)","2013-12-25"],["FSS","3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C24 H26 Cl2 N6 O2","Clc4cccc(Cl)c4N2C(=O)N(c1nc(ncc1C2)Nc3ccc(OCN(CC)CC)cc3)C;CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1;CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C","InChI=1S/C24H26Cl2N6O2/c1-4-31(5-2)15-34-18-11-9-17(10-12-18)28-23-27-13-16-14-32(24(33)30(3)22(16)29-23)21-19(25)7-6-8-20(21)26/h6-13H,4-5,14-15H2,1-3H3,(H,27,28,29)","","2009-01-12","2011-06-04","3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one",""],["FST","O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate","C11 H17 O4 P S2","O=S(c1ccc(OP(=S)(OCC)OCC)cc1)C;CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O;CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C","InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3/t18-/m1/s1","Fensulfothion","2011-11-15","2021-03-01","O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate","2012-09-28"],["FSU","2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide","C13 H16 N2 O3","COCCCN1Cc2cccc(C(N)=O)c2C1=O;COCCCN1Cc2cccc(c2C1=O)C(=O)N","InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)","","2015-04-15","2015-08-07","2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindole-4-carboxamide","2015-08-12"],["FSV","5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol","C14 H11 F O3","Fc2cc(C=Cc1cc(O)cc(O)c1)ccc2O;Oc1cc(O)cc(C=Cc2ccc(O)c(F)c2)c1;c1cc(c(cc1C=Cc2cc(cc(c2)O)O)F)O","InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+","fluoro-resveratrol","2014-02-28","2020-06-17","5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol","2014-05-07"],["FSW","methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside","C8 H16 O4 Se","CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1[Se]C;CC1C(C(C(C(O1)OC)[Se]C)O)O","InChI=1S/C8H16O4Se/c1-4-5(9)6(10)7(13-3)8(11-2)12-4/h4-10H,1-3H3/t4-,5+,6+,7-,8+/m0/s1","(2S,3S,4R,5S,6R)-6-methoxy-2-methyl-5-methylselanyl-oxane-3,4-diol; methyl\n6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactoside; methyl 6-deoxy-2-Se-methyl-2-seleno-L-galactoside; methyl\n6-deoxy-2-Se-methyl-2-seleno-galactoside","2016-11-02","2020-07-17","(2~{S},3~{S},4~{R},5~{S},6~{R})-6-methoxy-2-methyl-5-methylselanyl-oxane-3,4-diol","2017-01-25"],["FSX","BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)","Fe4 O3 S3","O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2;[O][Fe]1O[Fe]23S[Fe]245[S]3[Fe]4(O1)S5","InChI=1S/4Fe.H2O.2O.3S/h;;;;1H2;;;;;/q;;;+1;;;;;;/p-1","FE4-S3-O3 CLUSTER","2000-06-21","2023-09-23","",""],["FSY","fevipiprant","C19 H17 F3 N2 O4 S","OC(Cc1c3c(n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc3)=O;Cc1n(Cc2ccc(cc2C(F)(F)F)[S](C)(=O)=O)c3ncccc3c1CC(O)=O;Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O","InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)","(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid","2018-04-16","2021-03-13","(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid","2018-10-03"],["FSZ","1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine","C13 H17 F3 N4","NC(=N)Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2;c1c(cc(cc1C(F)(F)F)NC(=N)N)C2CCNCC2","InChI=1S/C13H17F3N4/c14-13(15,16)10-5-9(8-1-3-19-4-2-8)6-11(7-10)20-12(17)18/h5-8,19H,1-4H2,(H4,17,18,20)","","2018-07-25","2018-09-21","1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine","2018-09-26"],["FT0","3-hydroxy-4-phenoxybenzaldehyde","C13 H10 O3","Oc1cc(C=O)ccc1Oc2ccccc2;c1ccc(cc1)Oc2ccc(cc2O)C=O","InChI=1S/C13H10O3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-9,15H","","2010-02-23","2011-06-04","3-hydroxy-4-phenoxy-benzaldehyde",""],["FT1","4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde","C13 H8 Cl2 O3","Clc2cc(Cl)ccc2Oc1ccc(C=O)cc1O;Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl;c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl","InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H","","2010-02-25","2012-02-15","4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde",""],["FT2","5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol","C13 H9 Cl3 O2","Oc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl;c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl","InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2","","2010-02-25","2011-06-04","5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol",""],["FT3","2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol","C13 H10 Cl2 O3","OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1;c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl","InChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2","","2010-02-25","2011-06-04","2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol",""],["FT4","[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid","C21 H21 F N2 O4 S","CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4ccc(F)cc4)(=O)=O;CN([CH]1CCc2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4;CN(C1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F","InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1","CAY10471","2018-04-16","2020-06-17","[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid","2018-10-03"],["FT5","(3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid","C7 H12 O5","O[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O;C1C(CC(C(C1O)O)O)C(=O)O","InChI=1S/C7H12O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-6,8-10H,1-2H2,(H,11,12)/t3-,4+,5-,6-","","2018-07-25","2024-09-27","(3~{R})-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","2019-07-24"],["FT6","6-FLUORO-L-TRYPTOPHAN","C11 H11 F N2 O2","O=C(O)C(N)Cc2c1ccc(F)cc1nc2;N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O;c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N","InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1","(S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID","2006-11-20","2024-09-27","6-fluoro-L-tryptophan",""],["FT7","1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide","C27 H26 F2 N2 O","CCC(c1ccccc1)NC(=O)c2ccc4c(c2)c(c(C)n4Cc3c(F)cc(cc3)F)C;CC[CH](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c2c1)c4ccccc4;CCC(c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C","InChI=1S/C27H26F2N2O/c1-4-25(19-8-6-5-7-9-19)30-27(32)20-11-13-26-23(14-20)17(2)18(3)31(26)16-21-10-12-22(28)15-24(21)29/h5-15,25H,4,16H2,1-3H3,(H,30,32)/t25-/m1/s1","","2018-04-16","2019-02-22","1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide","2019-02-27"],["FT8","Omapatrilat","C19 H24 N2 O4 S2","OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S)Cc3ccccc3)C(=O)N12;c1ccc(cc1)CC(C(=O)NC2CCSC3CCCC(N3C2=O)C(=O)O)S","InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1","","2018-07-25","2018-11-02","(4~{S},7~{S},10~{a}~{S})-5-oxidanylidene-4-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10~{a}-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid","2018-11-07"],["FT9","(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol","C26 H28 F6 O3","CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2;CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#CCC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C26H28F6O3/c1-3-19(11-12-20-15-22(33)16-23(34)17(20)2)21-10-7-9-18(14-21)8-5-4-6-13-24(35,25(27,28)29)26(30,31)32/h7,9-12,14,22-23,33-35H,2-3,5,8,13,15-16H2,1H3/b19-11+,20-12-/t22-,23+/m1/s1","","2023-07-20","2024-08-09","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol","2024-08-14"],["FTA","3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE","C16 H13 N7","N#CC(=CNc2ccc(Nc1ccccc1)cc2)c3nnnn3;N#CC(=CNc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3;c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)c3n[nH]nn3","InChI=1S/C16H13N7/c17-10-12(16-20-22-23-21-16)11-18-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9,11,18-19H,(H,20,21,22,23)/b12-11-","","2003-07-21","2011-06-04","(2Z)-3-{[4-(phenylamino)phenyl]amino}-2-(2H-tetrazol-5-yl)prop-2-enenitrile",""],["FTB","N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE","C25 H26 F N5 O3","Fc1ccccc1CN3C(=O)N(c2nc(nc2C3=O)Cc4ccc(NC(=O)C)cc4)CCCC;CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(NC(C)=O)cc4)nc13;CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F","InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)","1-(2-FLUOROBENZYL)-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE","2003-01-08","2020-06-17","N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)acetamide",""],["FTC","N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA","C15 H16 Cl F N4 O S","S=C(Nc1ncc(Cl)cc1)NCCc2nccc(OCC)c2F;CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F;CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl","InChI=1S/C15H16ClFN4OS/c1-2-22-12-6-8-18-11(14(12)17)5-7-19-15(23)21-13-4-3-10(16)9-20-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,19,20,21,23)","","2000-01-27","2011-06-04","1-(5-chloropyridin-2-yl)-3-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea",""],["FTD","[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate","C8 H14 F N3 O9 P2 S","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2;NC1=C(F)CN([CH]2CS[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1;C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F","InChI=1S/C8H14FN3O9P2S/c9-4-1-12(8(13)11-7(4)10)5-3-24-6(20-5)2-19-23(17,18)21-22(14,15)16/h5-6H,1-3,10H2,(H,11,13)(H,17,18)(H2,14,15,16)/t5-,6+/m0/s1","","2012-01-06","2014-08-22","[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate","2014-08-27"],["FTE","phenylisothiocyanate","C7 H5 N S","S=C=Nc1ccccc1;S=C=Nc1ccccc1;c1ccc(cc1)N=C=S","InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H","isothiocyanatobenzene","2011-02-01","2021-03-01","isothiocyanatobenzene",""],["FTG","(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide","C31 H40 N8 O5","O=C(C(CCC(CC3OC(n1c2ncnc(c2nc1)N)C(C3O)O)CNCc4ccccc4)N)NCCc5ccc(cc5)O;N[CH](CC[CH](CNCc1ccccc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=O)NCCc5ccc(O)cc5;c1ccc(cc1)CNCC(CCC(C(=O)NCCc2ccc(cc2)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C31H40N8O5/c32-23(30(43)35-13-12-19-6-9-22(40)10-7-19)11-8-21(16-34-15-20-4-2-1-3-5-20)14-24-26(41)27(42)31(44-24)39-18-38-25-28(33)36-17-37-29(25)39/h1-7,9-10,17-18,21,23-24,26-27,31,34,40-42H,8,11-16,32H2,(H,35,43)(H2,33,36,37)/t21-,23-,24+,26+,27+,31+/m0/s1","(S)-SKI-72","2018-04-16","2021-03-01","(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide (non-preferred name)","2018-05-23"],["FTH","1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE","C31 H28 N6 O","N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)C(NCc3ccc(C#N)cc3)Cc4cncn4C)CC5;Cn1cncc1C[CH](NCc2ccc(cc2)C#N)C(=O)N3CCC(=C(C3)c4cccc5ccccc45)C#N;Cn1cncc1CC(C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N","InChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m0/s1","","2002-12-13","2011-06-04","1-[N-(4-cyanobenzyl)-3-methyl-L-histidyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydropyridine-4-carbonitrile",""],["FTI","1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE","C29 H23 N5 O","N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)Cc3cncn3Cc4ccc(C#N)cc4)CC5;O=C(Cc1cncn1Cc2ccc(cc2)C#N)N3CCC(=C(C3)c4cccc5ccccc45)C#N;c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N","InChI=1S/C29H23N5O/c30-15-21-8-10-22(11-9-21)18-34-20-32-17-25(34)14-29(35)33-13-12-24(16-31)28(19-33)27-7-3-5-23-4-1-2-6-26(23)27/h1-11,17,20H,12-14,18-19H2","","2002-12-13","2011-06-04","1-{[1-(4-cyanobenzyl)-1H-imidazol-5-yl]acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydropyridine-4-carbonitrile",""],["FTJ","(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid","C17 H13 Cl N2 O4","OC(=O)C(Oc3ccc(Oc2nc1c(cc(cc1)Cl)nc2)cc3)C;C[CH](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl","InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1","","2018-04-17","2018-08-10","(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid","2018-08-15"],["FTK","6,6,6-trifluoro-1-phenylhexane-1,3,5-trione","C12 H9 F3 O3","O=C(c1ccccc1)CC(=O)CC(=O)C(F)(F)F;FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1;c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F","InChI=1S/C12H9F3O3/c13-12(14,15)11(18)7-9(16)6-10(17)8-4-2-1-3-5-8/h1-5H,6-7H2","","2013-04-04","2013-10-25","6,6,6-trifluoro-1-phenylhexane-1,3,5-trione","2013-10-30"],["FTL","4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE","C30 H23 N5","N#Cc5c(c2c1ccccc1ccc2)cc(N(Cc3cccc(C#N)c3)Cc4cncn4C)cc5;Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(C#N)c(c3)c4cccc5ccccc45;Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N","InChI=1S/C30H23N5/c1-34-21-33-18-27(34)20-35(19-23-7-4-6-22(14-23)16-31)26-13-12-25(17-32)30(15-26)29-11-5-9-24-8-2-3-10-28(24)29/h2-15,18,21H,19-20H2,1H3","","2003-01-07","2011-06-04","4-{(3-cyanobenzyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-naphthalen-1-ylbenzonitrile",""],["FTM","2-fluoroacetamide","C2 H4 F N O","FCC(=O)N;NC(=O)CF;C(C(=O)N)F","InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)","","2013-02-04","2014-02-07","2-fluoroacetamide","2014-02-12"],["FTN","N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide","C17 H16 F3 N O2","CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1;CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F","InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)","flutolanil; N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide","2010-02-19","2021-03-13","N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide",""],["FTO","~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate","C39 H52 N4 O6","CC(C)C[CH](NC(=O)[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O;CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O","InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1","L-685,458","2020-06-15","2021-03-13","~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate","2021-01-27"],["FTP","3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM","C12 H13 F3 N4 O4 P S","FC(F)(F)c1nc(c(cn1)C[n+]2c(c(sc2)CCOP([O-])([O-])=O)C)N;Cc1c(CCO[P]([O-])([O-])=O)sc[n+]1Cc2cnc(nc2N)C(F)(F)F;Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-]","InChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p-1","TRIFLUORO-THIAMIN PHOSPHATE","2000-11-14","2021-03-01","2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate",""],["FTQ","bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold","C16 H28 Au N4","CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C;CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C","InChI=1S/2C8H14N2.Au/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*6-7H,3-5H2,1-2H3;/q2*+1;","","2018-07-26","2019-01-25","bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold","2019-01-30"],["FTR","FLUOROTRYPTOPHANE","C11 H11 F N2 O2","O=C(O)C(N)Cc2c1cc(F)ccc1nc2;N[CH](Cc1c[nH]c2ccc(F)cc12)C(O)=O;c1cc2c(cc1F)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1","","1999-07-08","2024-09-27","5-fluoro-L-tryptophan",""],["FTS","(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE","C13 H16 F4 N2 O2 S","c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F;FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)(F)F;c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CNC(C2)CF","InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1","3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE","2006-03-03","2020-06-17","(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide",""],["FTT","3-HYDROXY-TETRADECANOIC ACID","C14 H28 O3","O=C(O)CC(O)CCCCCCCCCCC;CCCCCCCCCCC[CH](O)CC(O)=O;CCCCCCCCCCCC(CC(=O)O)O","InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1","3-HYDROXY-MYRISTIC ACID","1999-07-08","2024-09-27","(3R)-3-hydroxytetradecanoic acid",""],["FTU","5-fluorotubercidin","C11 H13 F N4 O4","Nc1ncnc2n(cc(F)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)F","InChI=1S/C11H13FN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1","","2018-03-24","2018-04-13","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-fluoranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol","2018-04-18"],["FTV","(2R)-2-(2,4-dichlorophenoxy)propanoic acid","C9 H8 Cl2 O3","Clc1c(ccc(c1)Cl)OC(C)C(O)=O;C[CH](Oc1ccc(Cl)cc1Cl)C(O)=O;CC(C(=O)O)Oc1ccc(cc1Cl)Cl","InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1","","2018-04-17","2018-08-10","(2R)-2-(2,4-dichlorophenoxy)propanoic acid","2018-08-15"],["FTW","5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","C36 H41 N5 O3","COc1ccc(CN2CCc3n(CCNC(C)(C)CO)nc(C(=O)NCc4cccc5ccccc45)c3C2)c6ccccc16;CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC","InChI=1S/C36H41N5O3/c1-36(2,24-42)38-18-20-41-32-17-19-40(22-27-15-16-33(44-3)30-14-7-6-13-29(27)30)23-31(32)34(39-41)35(43)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,38,42H,17-24H2,1-3H3,(H,37,43)","","2018-07-27","2019-12-27","5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","2020-01-01"],["FTX","(1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde","C21 H21 Cl N2 O3","COc1cc2CCN(C=O)[CH](Cc3c[nH]c4c(Cl)cccc34)c2cc1OC;COc1cc2c(cc1OC)C(N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl","InChI=1S/C21H21ClN2O3/c1-26-19-9-13-6-7-24(12-25)18(16(13)10-20(19)27-2)8-14-11-23-21-15(14)4-3-5-17(21)22/h3-5,9-12,18,23H,6-8H2,1-2H3/t18-/m0/s1","","2020-06-15","2021-06-11","(1~{S})-1-[(7-chloranyl-1~{H}-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde","2021-06-16"],["FTY","DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE","C10 H12 F2 N O5 P","FC(F)(c1ccc(cc1)CC(N)C(=O)O)P(=O)(O)O;N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(O)O","InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1","","1999-07-08","2024-09-27","4-[difluoro(phosphono)methyl]-L-phenylalanine",""],["FTZ","N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine","C13 H10 Cl F N4 O","Fc1cccc(Cl)c1CNc2nc(nn2)c3occc3;Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3;c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F","InChI=1S/C13H10ClFN4O/c14-9-3-1-4-10(15)8(9)7-16-13-17-12(18-19-13)11-5-2-6-20-11/h1-6H,7H2,(H2,16,17,18,19)","","2013-09-30","2018-01-12","N-(2-chloro-6-fluorobenzyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine","2018-01-17"],["FU0","2-(furan-2-yl)ethyl hydrogen carbonate","C7 H8 O4","O=C(OCCc1occc1)O;OC(=O)OCCc1occc1;c1cc(oc1)CCOC(=O)O","InChI=1S/C7H8O4/c8-7(9)11-5-3-6-2-1-4-10-6/h1-2,4H,3,5H2,(H,8,9)","","2014-03-05","2014-04-25","2-(furan-2-yl)ethyl hydrogen carbonate","2014-04-30"],["FU1","tetrahydrofuran","C4 H8 O","O1CCCC1;C1CCOC1;C1CCOC1","InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2","","2011-03-21","2011-06-04","tetrahydrofuran",""],["FU2","FURFURAL","C5 H4 O2","O=Cc1occc1;O=Cc1occc1;c1cc(oc1)C=O","InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H","","2003-09-10","2024-09-27","furan-2-carbaldehyde",""],["FU3","2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide","C21 H22 Cl2 F3 N5 O2","FC(F)(F)CCCOc4cc(Cl)cc(Cl)c4c1nc(nc3c1CN(C(=O)NC2CCC2)C3)N;Nc1nc2CN(Cc2c(n1)c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)C(=O)NC4CCC4;c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl","InChI=1S/C21H22Cl2F3N5O2/c22-11-7-14(23)17(16(8-11)33-6-2-5-21(24,25)26)18-13-9-31(10-15(13)29-19(27)30-18)20(32)28-12-3-1-4-12/h7-8,12H,1-6,9-10H2,(H,28,32)(H2,27,29,30)","","2011-03-21","2011-06-04","2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide",""],["FU4","2,6-ANHYDRO-1-DEOXY-D-GALACTITOL","C6 H12 O4","OC1C(OCC(O)C1O)C;C[CH]1OC[CH](O)[CH](O)[CH]1O;CC1C(C(C(CO1)O)O)O","InChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4+,5+,6-/m0/s1","","2006-06-30","2018-02-06","2,6-anhydro-1-deoxy-D-galactitol",""],["FU5","4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine","C15 H15 Cl F3 N3 O","FC(F)(F)CCCOc1c(c(Cl)ccc1)c2nc(nc(c2)C)N;Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F;Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F","InChI=1S/C15H15ClF3N3O/c1-9-8-11(22-14(20)21-9)13-10(16)4-2-5-12(13)23-7-3-6-15(17,18)19/h2,4-5,8H,3,6-7H2,1H3,(H2,20,21,22)","","2011-03-21","2011-06-04","4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine",""],["FU6","3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide","C20 H16 N4 O2","C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCC#C;C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2","InChI=1S/C20H16N4O2/c1-3-9-21-20(26)14-10-13(11-15(12-14)22-18(25)4-2)19-16-7-5-6-8-17(16)23-24-19/h1,4-8,10-12H,2,9H2,(H,21,26)(H,22,25)(H,23,24)","","2020-06-16","2020-09-25","3-(1~{H}-indazol-3-yl)-5-(prop-2-enoylamino)-~{N}-prop-2-ynyl-benzamide","2020-09-30"],["FU7","2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide","C21 H21 Cl2 F2 N7 O2","FC(F)(C)CNC(=O)N4Cc1c(nc(nc1c3c(OCCn2nccc2)cc(Cl)cc3Cl)N)C4;CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)c3c(Cl)cc(Cl)cc3OCCn4cccn4;CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F","InChI=1S/C21H21Cl2F2N7O2/c1-21(24,25)11-27-20(33)31-9-13-15(10-31)29-19(26)30-18(13)17-14(23)7-12(22)8-16(17)34-6-5-32-4-2-3-28-32/h2-4,7-8H,5-6,9-11H2,1H3,(H,27,33)(H2,26,29,30)","","2011-03-21","2011-06-04","2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide",""],["FU8","dicarbonyl[bis(cyanide-kappaC)]-mu-(ethanethiolatato-1kappaS:2kappaS)-mu-(ox omethylidene)diiron(2+)","C7 H4 Fe2 N2 O3 S2","O=C1[Fe](SCCS[Fe]1(C#N)C#[O+])(C#N)C#[O+];C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]","InChI=1S/C2H4S2.2CN.3CO.2Fe/c3-1-2-4;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;;","","2018-07-27","2019-09-13","","2019-09-18"],["FU9","3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid","C22 H16 F3 N5 O2","FC(F)(F)c1cc(ccc1)Nc5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4;OC(=O)c1ccc2c(c1)nc(Nc3cccc(c3)C(F)(F)F)c4nc(NC5CC5)ncc24;c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F","InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)","CX-5279","2011-03-21","2021-03-01","3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid",""],["FUA","FUSIDIC ACID","C31 H48 O6","O=C(O)/C(=C2/C1CC(O)C3C(C1(CC2OC(=O)C)C)(C)CCC4C(C)C(O)CCC34C)CCC=C(/C)C;C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4C([CH](C[C]34C)OC(C)=O)=C(CCC=C(C)C)C(O)=O;CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C","InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1","","1999-07-08","2011-06-04","(2Z)-2-[(3beta,4beta,5alpha,8alpha,9beta,11beta,13alpha,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid",""],["FUB","beta-L-arabinofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1","beta-L-arabinose; L-arabinose; arabinose","2008-05-27","2020-07-17","beta-L-arabinofuranose",""],["FUC","alpha-L-fucopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1","alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose","1999-07-08","2024-09-27","6-deoxy-alpha-L-galactopyranose",""],["FUD","D-fructose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1","","2007-08-15","2011-06-04","D-fructose",""],["FUE","2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one","C32 H36 F N5 O2","C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH](CN1)CN5Cc6ccccc6C5=O;CC1CN(C(CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C","InChI=1S/C32H36FN5O2/c1-21-16-36(26(15-34-21)18-37-17-24-6-4-5-7-27(24)31(37)40)19-29(39)38-20-32(2,3)30-28(38)13-23(14-35-30)12-22-8-10-25(33)11-9-22/h4-11,13-14,21,26,34H,12,15-20H2,1-3H3/t21-,26-/m1/s1","","2018-07-30","2018-08-17","2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one","2018-08-22"],["FUF","2-deoxy-2-fluoro-beta-L-fucopyranose","C6 H11 F O4","FC1C(O)C(O)C(OC1O)C;C[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)F)O)O","InChI=1S/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6-/m0/s1","2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE; 2,6-dideoxy-2-fluoro-beta-L-galactopyranose;\n2-deoxy-2-fluoro-beta-L-fucose; 2-deoxy-2-fluoro-L-fucose; 2-deoxy-2-fluoro-fucose","2003-03-14","2024-09-27","2,6-dideoxy-2-fluoro-beta-L-galactopyranose",""],["FUG","FUMAGILLIN","C26 H36 O7","O=C(O)C=CC=CC=CC=CC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C;CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)C=CC=CC=CC=CC(O)=O;CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C","InChI=1S/C26H36O7/c1-18(2)14-15-20-26(4,33-20)24-23(31-5)19(16-17-25(24,3)30)32-22(29)13-11-9-7-6-8-10-12-21(27)28/h6-14,19-20,23-24,30H,15-17H2,1-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t19-,20-,23-,24+,25-,26+/m1/s1","","2001-03-28","2024-09-27","(2E,4E,6E,8E)-10-({(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid",""],["FUH","[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate","C20 H33 N3 O16 P2","C[CH](O)CC(=O)N[CH]1[CH](O)[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)CC(C)O)O","InChI=1S/C20H33N3O16P2/c1-8-6-23(20(30)22-18(8)29)14-5-11(25)12(37-14)7-35-40(31,32)39-41(33,34)38-19-17(28)15(16(27)10(3)36-19)21-13(26)4-9(2)24/h6,9-12,14-17,19,24-25,27-28H,4-5,7H2,1-3H3,(H,21,26)(H,31,32)(H,33,34)(H,22,29,30)/t9-,10-,11+,12-,14-,15+,16+,17-,19-/m1/s1","","2016-07-18","2016-07-22","[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate","2016-07-27"],["FUI","N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea","C20 H21 Cl N4 O2","Clc1ccc(cc1)NC(=O)NC=1C(=O)N(c2ccccc2)N(C)C=1C(C)C;CC(C)C1=C(NC(=O)Nc2ccc(Cl)cc2)C(=O)N(N1C)c3ccccc3;CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl","InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)","","2021-12-15","2022-03-25","N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea","2022-03-30"],["FUJ","[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","C11 H11 O6 P","COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O;COc1ccc2C(=CC(=O)Oc2c1)C[P](O)(O)=O;COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O","InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15)","","2018-04-17","2019-04-12","[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","2019-04-17"],["FUK","2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone","C30 H42 F N5 O3","C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)[CH](O)c4ccc(F)cc4)[CH](CN1)CN5[CH](C)COC[CH]5C;CC1CN(C(CN1)CN2C(COCC2C)C)CC(=O)N3CC(c4c3cc(cn4)C(c5ccc(cc5)F)O)(C)C","InChI=1S/C30H42FN5O3/c1-19-13-34(25(12-32-19)14-35-20(2)16-39-17-21(35)3)15-27(37)36-18-30(4,5)29-26(36)10-23(11-33-29)28(38)22-6-8-24(31)9-7-22/h6-11,19-21,25,28,32,38H,12-18H2,1-5H3/t19-,20-,21-,25-,28+/m1/s1","","2018-07-30","2018-08-17","2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone","2018-08-22"],["FUL","beta-L-fucopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1","beta-L-fucose; 6-deoxy-beta-L-galactopyranose; L-fucose; fucose; 6-DEOXY-BETA-L-GALACTOSE","2002-01-15","2024-09-27","6-deoxy-beta-L-galactopyranose",""],["FUM","FUMARIC ACID","C4 H4 O4","O=C(O)C=CC(=O)O;OC(=O)C=CC(O)=O;C(=CC(=O)O)C(=O)O","InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+","","1999-07-08","2024-09-27","(2E)-but-2-enedioic acid",""],["FUN","5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID","C12 H11 Cl N2 O5 S","O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2;N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl;c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl","InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)","Furosemide","2005-09-13","2021-03-01","4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid",""],["FUO","2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide","C31 H36 N4 O3","O=C(Cc1ccc(cn1)c2ccc(OCCN3CCN(CC3)C(=O)CC4CC4)cc2)NCc5ccccc5;c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5","InChI=1S/C31H36N4O3/c36-30(33-22-25-4-2-1-3-5-25)21-28-11-8-27(23-32-28)26-9-12-29(13-10-26)38-19-18-34-14-16-35(17-15-34)31(37)20-24-6-7-24/h1-5,8-13,23-24H,6-7,14-22H2,(H,33,36)","","2020-06-16","2021-06-18","2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide","2021-06-23"],["FUP","2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE","C9 H13 F N2 O10 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2F;O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1F)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)F","InChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","FUDP","1999-07-08","2021-03-01","2',3'-dideoxy-3'-fluorouridine 5'-(trihydrogen diphosphate)",""],["FUQ","Mo5 Cluster","H20 Mo5 O25","O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1;O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O","InChI=1S/5Mo.20H2O.5O/h;;;;;20*1H2;;;;;/q5*+4;;;;;;;;;;;;;;;;;;;;;;;;;/p-20","","2018-07-30","2018-11-09","2,2,2,2,4,4,4,4,6,6,6,6,8,8,8,8,10,10,10,10-icosakis(oxidanyl)-1,3,5,7,9-pentaoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6},10$l^{6}-pentamolybdacyclodecane","2018-11-14"],["FUR","Furazolidone","C8 H5 N3 O5","O=C2OC=CN2/N=C/c1oc([N+]([O-])=O)cc1;[O-][N+](=O)c1oc(cc1)C=NN2C=COC2=O;c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-]","InChI=1S/C8H5N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-5H/b9-5+","","2003-01-21","2012-08-08","3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2(3H)-one",""],["FUS","sulfuric diamide","H4 N2 O2 S","NS(=O)(=O)N;N[S](N)(=O)=O;NS(=O)(=O)N","InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)","","2018-04-18","2018-08-31","sulfuric diamide","2018-09-05"],["FUU","2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid","C16 H14 N4 O6","O=C(Nc1nnc(o1)c2occc2)NCc3cccc(OCC(=O)O)c3;OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3occc3)c1;c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3","InChI=1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23)","","2012-01-26","2013-01-11","{3-[({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl}amino)methyl]phenoxy}acetic acid","2013-01-11"],["FUV","(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine","C23 H28 Cl N3 O7","C(C5C(C(C(C(N1CCN(CC1)C=4c2c(ccc(c2)Cl)OC3C(CC=CC3)N=4)O5)O)O)O)(=O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(CC2)C3=N[CH]4CC=CC[CH]4Oc5ccc(Cl)cc35;c1cc2c(cc1Cl)C(=NC3CC=CCC3O2)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)O","InChI=1S/C23H28ClN3O7/c24-12-5-6-15-13(11-12)21(25-14-3-1-2-4-16(14)33-15)26-7-9-27(10-8-26)22-19(30)17(28)18(29)20(34-22)23(31)32/h1-2,5-6,11,14,16-20,22,28-30H,3-4,7-10H2,(H,31,32)/t14-,16-,17+,18+,19-,20+,22-/m1/s1","","2018-04-19","2018-07-20","(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine","2018-07-25"],["FUW","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol","C26 H34 O3","CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(C)(C)O)c2;CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#CCC(C)(C)O","InChI=1S/C26H34O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5,7,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25-/m0/s1","","2023-07-20","2024-08-02","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol","2024-08-07"],["FUX","5-HYDROXYMETHYL-FURFURAL","C6 H6 O3","O=Cc1oc(cc1)CO;OCc1oc(C=O)cc1;c1cc(oc1CO)C=O","InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2","","2003-09-10","2024-09-27","5-(hydroxymethyl)furan-2-carbaldehyde",""],["FUY","beta-L-fucosyl-azide","C6 H12 N3 O4","[N@H]=[N+]=N/C1OC(C(O)C(O)C1O)C;C[CH]1O[CH](N=[N+]=N)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)N=[N+]=N)O)O)O","InChI=1S/C6H12N3O4/c1-2-3(10)4(11)5(12)6(13-2)8-9-7/h2-7,10-12H,1H3/q+1/t2-,3+,4+,5-,6-/m0/s1","1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium;\nIMINO-[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL]IMINO-AZANIUM","2009-09-08","2020-07-17","1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium (non-preferred name)",""],["FUZ","2-[(furan-2-ylmethyl)amino]benzoic acid","C12 H11 N O3","O=C(O)c2c(NCc1occc1)cccc2;OC(=O)c1ccccc1NCc2occc2;c1ccc(c(c1)C(=O)O)NCc2ccco2","InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)","","2009-09-11","2011-10-07","2-[(furan-2-ylmethyl)amino]benzoic acid",""],["FV0","(2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol","C14 H24 N2 O","OC(C(N)Cc1ccccc1)CNCC(C)C;CC(C)CNC[CH](O)[CH](N)Cc1ccccc1;CC(C)CNCC(C(Cc1ccccc1)N)O","InChI=1S/C14H24N2O/c1-11(2)9-16-10-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13-,14+/m0/s1","","2011-06-06","2012-01-13","(2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol",""],["FV1","dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium","C3 H8 O7 P V","O=[V](OP(=O)(O)C1OC1C)(O)O;C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O;CC1C(O1)P(=O)(O)O[V](=O)(O)O","InChI=1S/C3H7O4P.2H2O.O.V/c1-2-3(7-2)8(4,5)6;;;;/h2-3H,1H3,(H2,4,5,6);2*1H2;;/q;;;;+3/p-3/t2-,3+;;;;/m0..../s1","","2011-03-07","2011-07-15","dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium",""],["FV2","Mo8 cluster","Mo8 O30","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]23O[Mo]O[Mo]45O[Mo](O[Mo](O[Mo]1O2)O3)O[Mo](O4)O5;[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O]","InChI=1S/8Mo.18H2O.12O/h;;;;;;;;18*1H2;;;;;;;;;;;;/q2*+1;2*+2;4*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18","","2018-07-31","2018-11-30","","2018-12-05"],["FV3","(2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol","C18 H32 O3","CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO;CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C","InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m0/s1","","2020-06-17","2021-04-23","(2~{S})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol","2021-04-28"],["FV4","6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","C20 H22 Cl F N4","n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl;Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F;Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl","InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3","","2018-04-20","2018-09-14","6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","2018-09-19"],["FV5","(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C23 H40 N4 O10 S2","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(=O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C","InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1","","2021-12-15","2024-09-27","(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["FV7","6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","C26 H25 Cl2 F N4","n4c2c(c1ccccc1Cl)cc(cc2n(Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl;Cc1cc(Cn2c3cc(Cl)cc(c4ccccc4Cl)c3nc2N5CCNCC5)cc(C)c1F;Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl","InChI=1S/C26H25Cl2FN4/c1-16-11-18(12-17(2)24(16)29)15-33-23-14-19(27)13-21(20-5-3-4-6-22(20)28)25(23)31-26(33)32-9-7-30-8-10-32/h3-6,11-14,30H,7-10,15H2,1-2H3","","2018-04-20","2018-09-14","6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","2018-09-19"],["FV8","(4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide","C16 H18 N4 O5","C[CH]1OC(=N[CH]1C(=O)N(O)CCc2c[nH]cn2)c3cccc(O)c3O;CC1C(N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O","InChI=1S/C16H18N4O5/c1-9-13(16(23)20(24)6-5-10-7-17-8-18-10)19-15(25-9)11-3-2-4-12(21)14(11)22/h2-4,7-9,13,21-22,24H,5-6H2,1H3,(H,17,18)/t9-,13+/m1/s1","","2018-07-31","2018-10-05","(4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide","2018-10-10"],["FV9","{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)","C20 H17 F N4 O7 P2 S","OP(O)(=O)C(P(O)(O)=O)Nc2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc4)=O;O[P](O)(=O)C(Nc1nc(nc2sccc12)c3cccc(NC(=O)c4ccc(F)cc4)c3)[P](O)(O)=O;c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)","","2018-01-16","2018-08-31","{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)","2018-09-05"],["FVA","N-formyl-L-valine","C6 H11 N O3","O=CNC(C(=O)O)C(C)C;CC(C)[CH](NC=O)C(O)=O;CC(C)C(C(=O)O)NC=O","InChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1","","2011-04-28","2024-09-27","N-formyl-L-valine",""],["FVB","(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol","C26 H32 F6 O3","CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(F)F)c2;CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C26H32F6O3/c1-3-19(11-12-20-15-22(33)16-23(34)17(20)2)21-10-7-9-18(14-21)8-5-4-6-13-24(35,25(27,28)29)26(30,31)32/h7,9-12,14,22-23,33-35H,2-6,8,13,15-16H2,1H3/b19-11+,20-12-/t22-,23+/m1/s1","","2023-07-20","2024-08-09","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol","2024-08-14"],["FVC","[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid","C22 H21 B N4 O3","CN(C)C(=O)c1cncc(c1)c2cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2;B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O","InChI=1S/C22H21BN4O3/c1-13-6-14(4-5-20(13)23(29)30)19-12-26-21-18(19)8-16(11-25-21)15-7-17(10-24-9-15)22(28)27(2)3/h4-12,29-30H,1-3H3,(H,25,26)","","2020-06-18","2024-09-27","[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid","2021-06-09"],["FVD","6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole","C25 H29 Cl F N5","n3(c2cc(cc(C=1CCNCC=1)c2nc3N4CCNCC4)Cl)Cc5cc(C)c(c(c5)C)F;Cc1cc(Cn2c3cc(Cl)cc(C4=CCNCC4)c3nc2N5CCNCC5)cc(C)c1F;Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl","InChI=1S/C25H29ClFN5/c1-16-11-18(12-17(2)23(16)27)15-32-22-14-20(26)13-21(19-3-5-28-6-4-19)24(22)30-25(32)31-9-7-29-8-10-31/h3,11-14,28-29H,4-10,15H2,1-2H3","","2018-04-20","2018-09-14","6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole","2018-09-19"],["FVE","(1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C23 H40 N4 O10 S2","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(=O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C","InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21-/m0/s1","","2021-12-15","2024-09-27","(1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["FVF","O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID","C30 H35 N2 O8 P","O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C(C)C)Cc3ccccc3;CC(C)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)[P](O)(=O)O[CH](Cc3ccccc3)C(O)=O;CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2)P(=O)(O)OC(Cc3ccccc3)C(=O)O","InChI=1S/C30H35N2O8P/c1-21(2)28(41(37,38)40-26(29(34)35)19-23-14-8-4-9-15-23)32-27(33)25(18-22-12-6-3-7-13-22)31-30(36)39-20-24-16-10-5-11-17-24/h3-17,21,25-26,28H,18-20H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)(H,37,38)/t25-,26-,28+/m0/s1","","1999-07-08","2011-06-04","(2S)-2-{[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid",""],["FVG","1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine","C25 H32 Cl F N6","n4c2c(N1C(CCC1)CN)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl;Cc1cc(Cn2c3cc(Cl)cc(N4CCC[CH]4CN)c3nc2N5CCNCC5)cc(C)c1F;Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCCC5CN)Cl","InChI=1S/C25H32ClFN6/c1-16-10-18(11-17(2)23(16)27)15-33-22-13-19(26)12-21(32-7-3-4-20(32)14-28)24(22)30-25(33)31-8-5-29-6-9-31/h10-13,20,29H,3-9,14-15,28H2,1-2H3/t20-/m0/s1","","2018-04-20","2018-09-14","1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine","2018-09-19"],["FVH","[[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","C21 H34 N7 O17 P3","NC(=O)[CH]1CCCN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CCCC(C5)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H34N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h7-11,13-16,20-21,29-31H,1-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2018-07-31","2019-03-29","[[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2019-04-03"],["FVJ","6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","C25 H28 Cl F N6","n4c2c(c1c(nnc1C)C)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl;Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CCNCC5;Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl","InChI=1S/C25H28ClFN6/c1-14-9-18(10-15(2)23(14)27)13-33-21-12-19(26)11-20(22-16(3)30-31-17(22)4)24(21)29-25(33)32-7-5-28-6-8-32/h9-12,28H,5-8,13H2,1-4H3,(H,30,31)","","2018-04-20","2018-09-14","6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","2018-09-19"],["FVK","~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide","C16 H25 N3 O5","O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2;c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O","InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1","","2018-07-31","2018-10-12","~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide","2018-10-17"],["FVM","6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole","C26 H28 Cl F N6","n4c2c(c1c(C)nnc1C)cc(cc2n(Cc3cc(C)c(c(C)c3)F)c4N6CC5(CNC5)C6)Cl;Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CC6(CNC6)C5;Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl","InChI=1S/C26H28ClFN6/c1-14-5-18(6-15(2)23(14)28)9-34-21-8-19(27)7-20(22-16(3)31-32-17(22)4)24(21)30-25(34)33-12-26(13-33)10-29-11-26/h5-8,29H,9-13H2,1-4H3,(H,31,32)","","2018-04-20","2018-09-14","6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole","2018-09-19"],["FVN","~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide","C19 H24 N2 O4","COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c(NC=O)c2)cc1;CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O","InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m0/s1","","2018-07-31","2018-10-12","~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide","2018-10-17"],["FVP","2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside","C42 H64 N6 O20","C6CCCC(c5cn(CC(NC2C(C(C(O)CNC(c1cc(c(c(c1)C)O)C)=O)O)OC(CC2O)(C(O)=O)OCC3C(C(C(C(O3)OC4C(O)C(C(OC4CO)OCCN)O)O)O)O)=O)nn5)C6;Cc1cc(cc(C)c1O)C(=O)NC[CH](O)[CH](O)[CH]2O[C](C[CH](O)[CH]2NC(=O)Cn3cc(nn3)C4CCCCC4)(OC[CH]5O[CH](O[CH]6[CH](O)[CH](O)[CH](OCCN)O[CH]6CO)[CH](O)[CH](O)[CH]5O)C(O)=O;Cc1cc(cc(c1O)C)C(=O)NCC(C(C2C(C(CC(O2)(C(=O)O)OCC3C(C(C(C(O3)OC4C(OC(C(C4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O","InChI=1S/C42H64N6O20/c1-18-10-21(11-19(2)29(18)53)38(60)44-13-24(51)30(54)37-28(45-27(52)15-48-14-22(46-47-48)20-6-4-3-5-7-20)23(50)12-42(68-37,41(61)62)64-17-26-31(55)32(56)34(58)40(66-26)67-36-25(16-49)65-39(63-9-8-43)35(59)33(36)57/h10-11,14,20,23-26,28,30-37,39-40,49-51,53-59H,3-9,12-13,15-17,43H2,1-2H3,(H,44,60)(H,45,52)(H,61,62)/t23-,24+,25+,26+,28+,30+,31-,32-,33+,34+,35+,36+,37+,39+,40-,42+/m0/s1","","2018-04-20","2019-04-12","2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside","2019-04-17"],["FVQ","3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside","C14 H17 N O6","C(#Cc1cccnc1)COC2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](OCC#Cc2cccnc2)[CH](O)[CH](O)[CH]1O;c1cc(cnc1)C#CCOC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H17NO6/c16-8-10-11(17)12(18)13(19)14(21-10)20-6-2-4-9-3-1-5-15-7-9/h1,3,5,7,10-14,16-19H,6,8H2/t10-,11-,12+,13+,14+/m1/s1","3-pyridin-3-ylprop-2-yn-1-yl alpha-D-mannopyranoside; D-MANNOSE ALPHA1O-PROPYNYL PYRIDINE;\n3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannoside; 3-(pyridin-3-yl)prop-2-yn-1-yl D-mannoside;\n3-(pyridin-3-yl)prop-2-yn-1-yl mannoside","2012-05-23","2020-07-17","3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside",""],["FVR","3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one","C26 H29 N5 O2","CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C;CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5","InChI=1S/C26H29N5O2/c1-30-15-20(19-8-10-22(11-9-19)33-17-18-6-4-3-5-7-18)14-21(16-30)28-26-29-23-12-13-27-24(23)25(32)31(26)2/h3-13,20-21,27H,14-17H2,1-2H3,(H,28,29)/t20-,21+/m0/s1","","2020-06-19","2021-04-02","3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","2021-04-07"],["FVS","(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol","C32 H47 F5 O3 S","FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4;C[C]12CC[CH]3[CH]([CH](CCCCCCCCC[S](=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[CH]1CC[CH]2O;CC12CCC3c4ccc(cc4CC(C3C1CCC2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O","InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41-/m1/s1","Fulvestrant","2013-02-25","2020-06-17","(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol","2013-06-05"],["FVT","5-azanyl-4-oxidanylidene-pentanoic acid","C5 H9 N O3","NCC(=O)CCC(O)=O;C(CC(=O)O)C(=O)CN","InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)","","2018-08-01","2018-12-21","5-azanyl-4-oxidanylidene-pentanoic acid","2018-12-26"],["FVV","10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole","C17 H16 F N3","c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F;Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1;c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F","InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2","","2018-04-22","2019-03-22","10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole","2019-03-27"],["FVW","(2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","C18 H23 F N4 O8","CN(C(=O)CCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)c1ccc(F)nc1;CN(c1ccc(nc1)F)C(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C18H23FN4O8/c1-23(10-5-7-13(19)20-9-10)14(24)4-2-3-11(16(27)28)21-18(31)22-12(17(29)30)6-8-15(25)26/h5,7,9,11-12H,2-4,6,8H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)/t11-,12-/m0/s1","","2018-08-01","2018-11-30","(2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","2018-12-05"],["FVX","Fluvoxamine","C15 H21 F3 N2 O2","FC(F)(F)c1ccc(C(=NOCCN)CCCCOC)cc1;COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F;COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F","InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+","2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine","2012-04-23","2021-03-01","2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine",""],["FVY","1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine","C16 H15 Cl F N3","c1c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C;Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C;Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F","InChI=1S/C16H15ClFN3/c1-9-5-14-15(6-10(9)2)21(16(19)20-14)8-11-3-4-13(18)12(17)7-11/h3-7H,8H2,1-2H3,(H2,19,20)","","2018-04-23","2018-09-14","1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine","2018-09-19"],["FVZ","(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","C18 H22 F N3 O8","OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)Nc1ccc(F)cc1)C(O)=O)C(O)=O;c1cc(ccc1NC(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F","InChI=1S/C18H22FN3O8/c19-10-4-6-11(7-5-10)20-14(23)3-1-2-12(16(26)27)21-18(30)22-13(17(28)29)8-9-15(24)25/h4-7,12-13H,1-3,8-9H2,(H,20,23)(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t12-,13-/m0/s1","","2018-08-01","2018-11-30","(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","2018-12-05"],["FW1","Fusicoccin A aglycone","C23 H36 O6","O=C(OCC(C2=C1C(O)C(O)C(C3C(=CC1(C)C(O)C2)C(CC3)COC)C)C)C;COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH](C)COC(C)=O;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)COC(=O)C)O)C)COC","InChI=1S/C23H36O6/c1-12(10-29-14(3)24)17-8-19(25)23(4)9-18-15(11-28-5)6-7-16(18)13(2)21(26)22(27)20(17)23/h9,12-13,15-16,19,21-22,25-27H,6-8,10-11H2,1-5H3/b18-9-/t12-,13-,15-,16+,19+,21-,22-,23+/m1/s1","(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-1,4,5-trihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydr\nodicyclopenta[a,d][8]annulen-3-yl]propyl acetate","2011-07-06","2020-06-17","(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-1,4,5-trihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate",""],["FW2","L-2-keto-3deoxy-gluconate","C6 H10 O6","OC[CH](O)[CH](O)CC(=O)C(O)=O;C(C(C(CO)O)O)C(=O)C(=O)O","InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m1/s1","","2018-08-01","2019-08-09","(4~{R},5~{S})-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid","2019-08-14"],["FW3","2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine","C27 H28 Cl N3 O2 S2","Clc1cc(CNCCC2CCN(CC2)[S](=O)(=O)c3ccc4ncsc4c3)ccc1c5ccccc5;c1ccc(cc1)c2ccc(cc2Cl)CNCCC3CCN(CC3)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C27H28ClN3O2S2/c28-25-16-21(6-8-24(25)22-4-2-1-3-5-22)18-29-13-10-20-11-14-31(15-12-20)35(32,33)23-7-9-26-27(17-23)34-19-30-26/h1-9,16-17,19-20,29H,10-15,18H2","","2023-07-20","2023-09-15","2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine","2023-09-20"],["FW4","1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole","C20 H22 Cl F N4","Cc2cc3n(Cc1cc(Cl)c(cc1)F)c(nc3cc2C)N4CCNCC4;Cc1cc2nc(N3CCNCC3)n(Cc4ccc(F)c(Cl)c4)c2cc1C;Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F","InChI=1S/C20H22ClFN4/c1-13-9-18-19(10-14(13)2)26(12-15-3-4-17(22)16(21)11-15)20(24-18)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3","","2018-04-23","2018-09-14","1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole","2018-09-19"],["FW5","(2~{S})-3-methoxypropane-1,2-diol","C4 H10 O3","COC[CH](O)CO;COCC(CO)O","InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","","2018-08-02","2019-01-11","(2~{S})-3-methoxypropane-1,2-diol","2019-01-16"],["FW6","(3-ethylphenyl) dihydrogen phosphate","C8 H11 O4 P","CCc1cccc(O[P](O)(O)=O)c1;CCc1cccc(c1)OP(=O)(O)O","InChI=1S/C8H11O4P/c1-2-7-4-3-5-8(6-7)12-13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)","","2020-06-24","2021-03-12","(3-ethylphenyl) dihydrogen phosphate","2021-03-17"],["FW7","6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","C18 H17 Cl2 F N4","c1c(cc(Cl)c(c1)F)Cn3c(nc2ccc(Cl)cc23)N4CCNCC4;Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1Cl;c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F","InChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2","","2018-04-23","2018-09-14","6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole","2018-09-19"],["0FG","D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide","C22 H28 F N3 O2","Fc1ccc(cc1)CNC(=O)C(NC(=O)C(N)CC(C)C)Cc2ccccc2;CC(C)C[CH](N)C(=O)N[CH](Cc1ccccc1)C(=O)NCc2ccc(F)cc2;CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N","InChI=1S/C22H28FN3O2/c1-15(2)12-19(24)21(27)26-20(13-16-6-4-3-5-7-16)22(28)25-14-17-8-10-18(23)11-9-17/h3-11,15,19-20H,12-14,24H2,1-2H3,(H,25,28)(H,26,27)/t19-,20+/m1/s1","","2008-09-14","2011-07-13","D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide",""],["0FI","N-phenylthioformamide","C7 H7 N S","S=CNc1ccccc1;S=CNc1ccccc1;c1ccc(cc1)NC=S","InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)","PHENYL ISOTHIOCYANATE, bound form","2012-04-08","2024-09-27","N-phenylthioformamide","2012-12-07"],["FW8","1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea","C35 H35 N9 O2","O=C(Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5ccccc35)nn2)Nc6cccc7C(=O)N8CCCC[CH]8c67;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6C8CCCCN8C7=O","InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1","","2018-08-03","2019-05-10","1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea","2019-05-15"],["0FK","8-hydroxyquinoline-2-carboxamide","C10 H8 N2 O2","O=C(c1nc2c(O)cccc2cc1)N;NC(=O)c1ccc2cccc(O)c2n1;c1cc2ccc(nc2c(c1)O)C(=O)N","InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)","","2012-01-04","2012-03-16","8-hydroxyquinoline-2-carboxamide",""],["FW9","N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine","C19 H18 N4 O3","COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2;COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4","InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)","","2020-06-24","2021-06-18","~{N}4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine","2021-06-23"],["0FL","3-amino-N-formyl-L-alanine","C4 H8 N2 O3","O=CNC(C(=O)O)CN;NC[CH](NC=O)C(O)=O;C(C(C(=O)O)NC=O)N","InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1","","2010-09-24","2024-09-27","3-amino-N-formyl-L-alanine",""],["FWA","6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole","C26 H32 Cl F N6","N1(CCN(CC1)C)c2cc(Cl)cc6c2nc(N3CC4(C3)CNC4)n6Cc5cc(C)c(c(C)c5)F;CN1CCN(CC1)c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CC6(CNC6)C5;Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl","InChI=1S/C26H32ClFN6/c1-17-8-19(9-18(2)23(17)28)12-34-22-11-20(27)10-21(32-6-4-31(3)5-7-32)24(22)30-25(34)33-15-26(16-33)13-29-14-26/h8-11,29H,4-7,12-16H2,1-3H3","","2018-04-23","2018-09-14","6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole","2018-09-19"],["FWB","3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol","C10 H12 F3 N O","C[CH](N)Cc1cc(O)cc(c1)C(F)(F)F;CC(Cc1cc(cc(c1)O)C(F)(F)F)N","InChI=1S/C10H12F3NO/c1-6(14)2-7-3-8(10(11,12)13)5-9(15)4-7/h3-6,15H,2,14H2,1H3/t6-/m0/s1","","2018-08-03","2018-09-21","3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol","2018-09-26"],["0FN","1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile","C10 H5 N O2","O=C2c1ccccc1C(=O)C2C#N;O=C1C(C#N)C(=O)c2ccccc12;c1ccc2c(c1)C(=O)C(C2=O)C#N","InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H","","2012-01-04","2012-03-16","1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile",""],["0FO","6-bromo-4-hydroxy-2H-chromen-2-one","C9 H5 Br O3","Brc2ccc1OC(=O)C=C(O)c1c2;OC1=CC(=O)Oc2ccc(Br)cc12;c1cc2c(cc1Br)C(=CC(=O)O2)O","InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H","","2012-01-04","2012-03-16","6-bromo-4-hydroxy-2H-chromen-2-one",""],["FWC","N-Methylanthraniloyl-CoA","C29 H43 N8 O17 P3 S","CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O","InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23+,27-/m1/s1","","2020-06-25","2021-06-18","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(methylamino)benzenecarbothioate","2021-06-23"],["FWD","2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID","C7 H8 F N3 O4","O=C(O)C(N)CN1C=C(F)C(=O)NC1=O;N[CH](CN1C=C(F)C(=O)NC1=O)C(O)=O;C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)F","InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1","FLUORO-WILLARDIINE","2002-09-20","2020-06-17","3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",""],["0FP","N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide","C37 H63 N7 O7","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)C(O)C(=O)NC(c1ccccc1)CC)CC(=O)N(C)C)C(C)(C)C)C(C)(C)C)CCCCCN;CC[CH](NC(=O)[CH](O)[CH](C)NC(=O)[CH](CC(=O)N(C)C)NC(=O)[CH](NC(=O)[CH](NC(=O)CCCCCN)C(C)(C)C)C(C)(C)C)c1ccccc1;CCC(c1ccccc1)NC(=O)C(C(C)NC(=O)C(CC(=O)N(C)C)NC(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C)NC(=O)CCCCCN)O","InChI=1S/C37H63N7O7/c1-11-25(24-18-14-12-15-19-24)40-33(49)29(47)23(2)39-32(48)26(22-28(46)44(9)10)41-34(50)31(37(6,7)8)43-35(51)30(36(3,4)5)42-27(45)20-16-13-17-21-38/h12,14-15,18-19,23,25-26,29-31,47H,11,13,16-17,20-22,38H2,1-10H3,(H,39,48)(H,40,49)(H,41,50)(H,42,45)(H,43,51)/t23-,25+,26-,29-,30+,31+/m0/s1","BILC 408","2008-09-14","2024-09-27","N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide",""],["FWE","4-[[4-[[4-[(3~{S})-5-azanyl-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{H}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","C44 H38 N6 O12","COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N4C(=C[CH](NC(=O)c5ccc(NC(=O)C(C)=Cc6ccc(O)cc6)cc5)C4=O)N)c(OC)c2O)C(O)=O;CC(=Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N","InChI=1S/C44H38N6O12/c1-22(20-23-4-14-28(51)15-5-23)39(54)46-26-10-6-24(7-11-26)41(56)49-33-21-34(45)50(43(33)58)27-12-8-25(9-13-27)40(55)47-31-18-16-29(35(52)37(31)61-2)42(57)48-32-19-17-30(44(59)60)36(53)38(32)62-3/h4-21,33,51-53H,45H2,1-3H3,(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H,59,60)/b22-20+/t33-/m0/s1","","2018-08-03","2018-11-16","4-[[4-[[4-[(3~{S})-5-azanyl-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{H}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","2018-11-21"],["0FQ","phenacyl coenzyme A","C29 H42 N7 O17 P3 S","O=C(c1ccccc1)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O","InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-20(38)31-10-11-57-13-18(37)17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-12-19-23(52-54(42,43)44)22(39)28(51-19)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,19,22-24,28,39-40H,8-14H2,1-2H3,(H,31,38)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t19-,22-,23-,24+,28-/m1/s1","","2011-06-10","2014-07-25","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxo-2-phenylethyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)","2014-07-30"],["FWF","N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide","C24 H36 N2 O4 S2","O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C)cc2)C)C(C)C;CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S](=O)(=O)C(C)C;CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C(C)CNS(=O)(=O)C(C)C","InChI=1S/C24H36N2O4S2/c1-17(2)31(27,28)25-15-19(5)21-7-11-23(12-8-21)24-13-9-22(10-14-24)20(6)16-26-32(29,30)18(3)4/h7-14,17-20,25-26H,15-16H2,1-6H3/t19-,20-/m0/s1","","2014-07-16","2014-09-05","N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide","2014-08-13"],["0FR","furan-2-yl(1H-indol-3-yl)methanone","C13 H9 N O2","O=C(c1cnc2ccccc12)c3occc3;O=C(c1occc1)c2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3","InChI=1S/C13H9NO2/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H","","2012-01-04","2012-03-16","furan-2-yl(1H-indol-3-yl)methanone",""],["FWG","cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone","C21 H27 N3 O3 S","C1CN(CCN1C(=O)C2CCCCCC2)S(=O)(=O)c4c3ccncc3ccc4;O=C(C1CCCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34;c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4","InChI=1S/C21H27N3O3S/c25-21(17-6-3-1-2-4-7-17)23-12-14-24(15-13-23)28(26,27)20-9-5-8-18-16-22-11-10-19(18)20/h5,8-11,16-17H,1-4,6-7,12-15H2","","2018-04-23","2019-04-26","cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone","2019-05-01"],["0FS","(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione","C11 H6 F3 N O2 S","O=C1C(SC(=O)N1)=Cc2cccc(c2)C(F)(F)F;FC(F)(F)c1cccc(C=C2SC(=O)NC2=O)c1;c1cc(cc(c1)C(F)(F)F)C=C2C(=O)NC(=O)S2","InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-","","2012-01-04","2012-03-16","(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione",""],["0FT","1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine","C13 H17 N5 O6","O=C1C(=CN(C(=O)N1)Cc2nnn(c2)C3OC(C(O)C3O)CO)C;CC1=CN(Cc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)Cc2cn(nn2)C3C(C(C(O3)CO)O)O","InChI=1S/C13H17N5O6/c1-6-2-17(13(23)14-11(6)22)3-7-4-18(16-15-7)12-10(21)9(20)8(5-19)24-12/h2,4,8-10,12,19-21H,3,5H2,1H3,(H,14,22,23)/t8-,9-,10+,12+/m0/s1","","2012-08-10","2012-11-16","1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine","2012-11-16"],["FWH","9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole","C25 H20 N2","Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)nc5ccccc45;Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C","InChI=1S/C25H20N2/c1-16-14-21(19-8-4-6-10-23(19)26-16)17(2)18-12-13-25-22(15-18)20-9-5-7-11-24(20)27(25)3/h4-15H,2H2,1,3H3","","2018-08-03","2018-12-14","9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole","2018-12-19"],["0FU","2,5,6-triaminopyrimidin-4-ol","C4 H7 N5 O","n1c(N)c(N)c(O)nc1N;Nc1nc(N)c(N)c(O)n1;c1(c(nc(nc1O)N)N)N","InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)","4-hydroxy-2,5,6-triaminopyrimidine","2012-01-04","2020-06-17","2,5,6-triaminopyrimidin-4-ol",""],["FWI","(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid","C23 H38 N4 O10 S","CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OCC1CN(C1)C(=O)OC(C)(C)C)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C","InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1","","2021-12-15","2024-09-27","(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid","2021-12-22"],["0FV","(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate","C10 H19 F O7 P2","O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C","InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9-","2-fluorogeranyl diphosphate","2012-01-04","2020-06-17","(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate",""],["FWJ","2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one","C21 H20 F N3 O3 S","C1CN(CCN1C(Cc2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O;Fc1ccc(CC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)cc1;c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F","InChI=1S/C21H20FN3O3S/c22-18-6-4-16(5-7-18)14-21(26)24-10-12-25(13-11-24)29(27,28)20-3-1-2-17-15-23-9-8-19(17)20/h1-9,15H,10-14H2","","2018-04-23","2019-04-26","2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one","2019-05-01"],["FWK","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol","C11 H15 N5 O3","CC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H15N5O3/c1-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","","2018-08-04","2019-08-09","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol","2019-08-14"],["0FW","4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid","C27 H19 N O6","O=C(O)c4cc(Oc1cccc(c1)NC(=O)c3ccc(c2ccccc2)cc3)ccc4C(=O)O;OC(=O)c1ccc(Oc2cccc(NC(=O)c3ccc(cc3)c4ccccc4)c2)cc1C(O)=O;c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O","InChI=1S/C27H19NO6/c29-25(19-11-9-18(10-12-19)17-5-2-1-3-6-17)28-20-7-4-8-21(15-20)34-22-13-14-23(26(30)31)24(16-22)27(32)33/h1-16H,(H,28,29)(H,30,31)(H,32,33)","","2011-06-17","2012-12-14","4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid","2012-12-14"],["0FX","dTDP-4-amino-4,6-dideoxyglucose","C16 H27 N3 O14 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1N;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)N","InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1","","2012-01-04","2012-01-20","(2R,3R,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["FWL","3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid","C10 H13 I N2 O4","NCc1[nH]c(I)c(CCC(O)=O)c1CC(O)=O;C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O","InChI=1S/C10H13IN2O4/c11-10-5(1-2-8(14)15)6(3-9(16)17)7(4-12)13-10/h13H,1-4,12H2,(H,14,15)(H,16,17)","2-iodoporphobilinogen","2020-06-25","2021-03-12","3-[5-(aminomethyl)-4-(2-hydroxy-2-oxoethyl)-2-iodanyl-1~{H}-pyrrol-3-yl]propanoic acid","2021-03-17"],["FWM","2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one","C21 H27 N3 O3 S","C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4;O=C(CC1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34;c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4","InChI=1S/C21H27N3O3S/c25-21(15-17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)20-8-4-7-18-16-22-10-9-19(18)20/h4,7-10,16-17H,1-3,5-6,11-15H2","","2018-04-23","2019-04-26","2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one","2019-05-01"],["0FY","3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium","C27 H32 F N10 O S","Fc1c[nH+]ccc1NC(=O)Cn2ncc(c2)c3c[nH+]c4n3cc(nc4Nc5snc(c5)C[NH+]6CC(C)CCC6)C;C[CH]1CCC[NH+](C1)Cc2cc(Nc3nc(C)cn4c(c[nH+]c34)c5cnn(CC(=O)Nc6cc[nH+]cc6F)c5)sn2;Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCCC(C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F","InChI=1S/C27H29FN10OS/c1-17-4-3-7-36(12-17)15-20-8-25(40-35-20)34-26-27-30-11-23(38(27)13-18(2)32-26)19-9-31-37(14-19)16-24(39)33-22-5-6-29-10-21(22)28/h5-6,8-11,13-14,17H,3-4,7,12,15-16H2,1-2H3,(H,32,34)(H,29,33,39)/p+3/t17-/m1/s1","","2012-01-04","2012-04-27","3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium",""],["FWN","2-[2-(2-ethoxyethoxy)ethoxy]ethanol","C8 H18 O4","CCOCCOCCOCCO;CCOCCOCCOCCO","InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3","","2018-08-08","2019-02-08","2-[2-(2-ethoxyethoxy)ethoxy]ethanol","2019-02-13"],["0FZ","4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide","C16 H16 N2 O3 S","O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3;COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1;COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N","InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20)","","2012-01-05","2012-03-30","4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide",""],["FWO","(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid","C10 H18 N2 O5","CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O;CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N","InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1","","2020-06-25","2020-12-25","(2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid","2020-12-30"],["0G","L-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1","","2009-07-16","2011-06-04","2-amino-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["FWP","2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one","C23 H25 N3 O5 S","C1CN(CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c3ccncc3ccc4;COc1ccc(CC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)c(OC)c1;COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4","InChI=1S/C23H25N3O5S/c1-30-19-7-6-17(21(15-19)31-2)14-23(27)25-10-12-26(13-11-25)32(28,29)22-5-3-4-18-16-24-9-8-20(18)22/h3-9,15-16H,10-14H2,1-2H3","","2018-04-23","2019-04-26","2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one","2019-05-01"],["0G0","1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine","C12 H14 F N5 O6","FC1=CN(C(=O)NC1=O)Cc2nnn(c2)C3OC(C(O)C3O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)n2cc(CN3C=C(F)C(=O)NC3=O)nn2;c1c(nnn1C2C(C(C(O2)CO)O)O)CN3C=C(C(=O)NC3=O)F","InChI=1S/C12H14FN5O6/c13-6-3-17(12(23)14-10(6)22)1-5-2-18(16-15-5)11-9(21)8(20)7(4-19)24-11/h2-3,7-9,11,19-21H,1,4H2,(H,14,22,23)/t7-,8-,9+,11+/m0/s1","","2012-08-10","2012-11-16","1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine","2012-11-16"],["FWQ","p-sulfonatocalix[6]arene","C42 H30 O24 S6","Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[S]([O-])(=O)=O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]","InChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-6","","2018-08-08","2019-02-08","","2019-02-13"],["0G1","3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol","C25 H25 N3 O2 S","n5c(c3c(c1ccc(OC)cc1)c2ccc(cc2n3)C(O)(CC)CC)c4sccc4n5;CCC(O)(CC)c1ccc2c([nH]c(c3n[nH]c4ccsc34)c2c5ccc(OC)cc5)c1;CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O","InChI=1S/C25H25N3O2S/c1-4-25(29,5-2)16-8-11-18-20(14-16)26-22(23-24-19(27-28-23)12-13-31-24)21(18)15-6-9-17(30-3)10-7-15/h6-14,26,29H,4-5H2,1-3H3,(H,27,28)","","2012-01-05","2012-04-27","3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol",""],["FWR","1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone","C15 H21 N3 O S","CCc1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2;CCc1c(c([nH]c1c2csc(n2)CCCN)C)C(=O)C","InChI=1S/C15H21N3OS/c1-4-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-5-7-16/h8,17H,4-7,16H2,1-3H3","","2022-01-26","2022-09-23","1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["0G2","3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol","C24 H23 N3 O S","n3nc(c2cc1ccc(cc1n2)C(O)(CC)CC)c4sc(cc34)c5ccccc5;CCC(O)(CC)c1ccc2cc([nH]c2c1)c3[nH]nc4cc(sc34)c5ccccc5;CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O","InChI=1S/C24H23N3OS/c1-3-24(28,4-2)17-11-10-16-12-19(25-18(16)13-17)22-23-20(26-27-22)14-21(29-23)15-8-6-5-7-9-15/h5-14,25,28H,3-4H2,1-2H3,(H,26,27)","","2012-01-05","2012-04-27","3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol",""],["FWS","(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide","C22 H22 N4 O5 S","c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3ccc4)(=O)=O)=O)c5;C[CH]1CN(CCN1C(=O)Nc2ccc3OCOc3c2)[S](=O)(=O)c4cccc5cnccc45;CC1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5","InChI=1S/C22H22N4O5S/c1-15-13-25(32(28,29)21-4-2-3-16-12-23-8-7-18(16)21)9-10-26(15)22(27)24-17-5-6-19-20(11-17)31-14-30-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,27)/t15-/m0/s1","","2018-04-23","2019-04-26","(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide","2019-05-01"],["0G3","N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide","C32 H29 F N6 O2 S","CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3cc(ccn3)c4n(C)c(SC)nc4c5ccc(F)cc5)cc2;CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F","InChI=1S/C32H29FN6O2S/c1-4-28(40)36-26-7-5-6-22(18-26)31(41)37-25-14-12-24(13-15-25)35-27-19-21(16-17-34-27)30-29(38-32(42-3)39(30)2)20-8-10-23(33)11-9-20/h5-19H,4H2,1-3H3,(H,34,35)(H,36,40)(H,37,41)","","2021-06-05","2024-09-27","~{N}-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide","2021-07-21"],["FWT","p-sulfonatocalix[8]arene","C56 H40 O32 S8","Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c9O)[S]([O-])(=O)=O)c8O)[S]([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[S]([O-])(=O)=O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]","InChI=1S/C56H48O32S8/c57-49-25-1-26-10-42(90(68,69)70)12-28(50(26)58)3-30-14-44(92(74,75)76)16-32(52(30)60)5-34-18-46(94(80,81)82)20-36(54(34)62)7-38-22-48(96(86,87)88)24-40(56(38)64)8-39-23-47(95(83,84)85)21-37(55(39)63)6-35-19-45(93(77,78)79)17-33(53(35)61)4-31-15-43(91(71,72)73)13-29(51(31)59)2-27(49)11-41(9-25)89(65,66)67/h9-24,57-64H,1-8H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)/p-8","","2018-08-08","2019-08-13","","2019-02-13"],["0G4","[[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy\n-oxidanyl-phosphoryl]amino]phosphonic acid","C8 H14 F N4 O11 P3 S","NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F","InChI=1S/C8H14FN4O11P3S/c9-4-1-13(8(14)11-7(4)10)5-3-28-6(23-5)2-22-27(20,21)24-26(18,19)12-25(15,16)17/h1,5-6H,2-3H2,(H,20,21)(H2,10,11,14)(H4,12,15,16,17,18,19)/t5-,6+/m0/s1","dCTP analog","2012-01-06","2020-06-17","[[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","2014-08-27"],["0G5","N~5~-(3-iodobenzoyl)-L-ornithine","C12 H15 I N2 O3","O=C(c1cc(I)ccc1)NCCCC(C(=O)O)N;N[CH](CCCNC(=O)c1cccc(I)c1)C(O)=O;c1cc(cc(c1)I)C(=O)NCCCC(C(=O)O)N","InChI=1S/C12H15IN2O3/c13-9-4-1-3-8(7-9)11(16)15-6-2-5-10(14)12(17)18/h1,3-4,7,10H,2,5-6,14H2,(H,15,16)(H,17,18)/t10-/m0/s1","","2012-08-10","2012-10-26","N~5~-(3-iodobenzoyl)-L-ornithine","2012-10-26"],["FWU","~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide","C27 H28 Cl N3 O2 S","Clc1cc(CNCCCCCN[S](=O)(=O)c2cccc3cnccc23)ccc1c4ccccc4;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCCNS(=O)(=O)c3cccc4c3ccnc4","InChI=1S/C27H28ClN3O2S/c28-26-18-21(12-13-24(26)22-8-3-1-4-9-22)19-29-15-5-2-6-16-31-34(32,33)27-11-7-10-23-20-30-17-14-25(23)27/h1,3-4,7-14,17-18,20,29,31H,2,5-6,15-16,19H2","","2023-07-20","2023-09-15","~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide","2023-09-20"],["0G6","D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide","C21 H34 Cl N6 O3","O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(N)Cc1ccccc1)CCC2;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)N","InChI=1S/C21H33ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-18,29H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+,18-/m1/s1","PPACK","2008-09-14","2024-09-27","D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide",""],["FWV","N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide","C20 H18 Cl2 N4 O3 S","C(=O)(Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3ccc4)(=O)=O;Clc1cccc(NC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)c1Cl;c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl","InChI=1S/C20H18Cl2N4O3S/c21-16-4-2-5-17(19(16)22)24-20(27)25-9-11-26(12-10-25)30(28,29)18-6-1-3-14-13-23-8-7-15(14)18/h1-8,13H,9-12H2,(H,24,27)","","2018-04-23","2019-04-26","N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide","2019-05-01"],["0G7","D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide","C21 H31 Cl N6 O3","O=C(NC(C(=O)CCl)CCCNC(=[N@H])N)C2N(C(=O)C(N)Cc1ccccc1)CCC2;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCNC(N)=N)C(=O)CCl;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)CCl)N","InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1","d-Phe-Pro-Arg chloromethylketone (PPACK)","2010-11-03","2021-03-01","D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide",""],["FWW","4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","C44 H37 N5 O13","COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N4C(=O)C[CH](NC(=O)c5ccc(NC(=O)C(C)=Cc6ccc(O)cc6)cc5)C4=O)c(OC)c2O)C(O)=O;CC(=Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O","InChI=1S/C44H37N5O13/c1-22(20-23-4-14-28(50)15-5-23)39(54)45-26-10-6-24(7-11-26)41(56)48-33-21-34(51)49(43(33)58)27-12-8-25(9-13-27)40(55)46-31-18-16-29(35(52)37(31)61-2)42(57)47-32-19-17-30(44(59)60)36(53)38(32)62-3/h4-20,33,50,52-53H,21H2,1-3H3,(H,45,54)(H,46,55)(H,47,57)(H,48,56)(H,59,60)/b22-20+/t33-/m0/s1","","2018-08-09","2018-11-16","4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","2018-11-21"],["FWX","2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide","C22 H29 N5 O2","CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc3ccc(cc3)C(C)C;CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C","InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)","","2020-06-29","2020-09-04","2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidine-4-carboxamide","2020-09-09"],["0G8","[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate","C8 H13 N3 O9 P2 S","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CS2;NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C8H13N3O9P2S/c9-5-1-2-11(8(12)10-5)6-4-23-7(19-6)3-18-22(16,17)20-21(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1","","2012-01-06","2014-08-22","[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate","2014-08-27"],["0GA","3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid","C11 H10 O6","O=C(O)c1cccc(O/C(C(=O)O)=CC)c1O;CC=C(Oc1cccc(C(O)=O)c1O)C(O)=O;CC=C(C(=O)O)Oc1cccc(c1O)C(=O)O","InChI=1S/C11H10O6/c1-2-7(11(15)16)17-8-5-3-4-6(9(8)12)10(13)14/h2-5,12H,1H3,(H,13,14)(H,15,16)/b7-2-","","2012-01-09","2012-06-08","3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid",""],["FWY","[4-(isoquinoline-5-sulfonyl)piperazin-1-yl](3-nitrophenyl)methanone","C20 H18 N4 O5 S","O=S(=O)(c1cccc2cnccc21)N1CCN(CC1)C(=O)c1cccc(c1)[N+]([O-])=O;[O-][N+](=O)c1cccc(c1)C(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34;c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4","InChI=1S/C20H18N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2","","2018-04-23","2026-04-05","[4-(isoquinoline-5-sulfonyl)piperazin-1-yl](3-nitrophenyl)methanone","2019-05-01"],["FWZ","(2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C49 H58 F N9 O6 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCc5ccc(CN6CCN(CC6)c7cc(nnc7N)c8ccccc8O)cc5)c2;Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)C7CC(CN7C(=O)C(C(C)(C)C)NC(=O)C8(CC8)F)O","InChI=1S/C49H58FN9O6S/c1-30-42(66-29-53-30)33-13-14-34(26-52-45(62)39-24-35(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)16-17-49)41(23-33)65-22-15-31-9-11-32(12-10-31)27-57-18-20-58(21-19-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,35,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t35-,39+,43-/m1/s1","","2018-08-09","2019-06-07","(2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2019-06-12"],["0GD","6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine","C21 H22 F N3","Fc1cccc(c1)CCNCc3ccc(c2nc(N)cc(c2)C)cc3;Cc1cc(N)nc(c1)c2ccc(CNCCc3cccc(F)c3)cc2;Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F","InChI=1S/C21H22FN3/c1-15-11-20(25-21(23)12-15)18-7-5-17(6-8-18)14-24-10-9-16-3-2-4-19(22)13-16/h2-8,11-13,24H,9-10,14H2,1H3,(H2,23,25)","","2014-11-25","2015-06-26","6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine","2015-07-01"],["FX0","(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid","C27 H46 O5","CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)C[CH](C)C(O)=O)[C]3(C)[CH](O)C[CH]2[C]4(C)CC[CH](O)C[CH]14;CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O","InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1","","2020-06-30","2021-03-12","(2~{S},4~{R})-4-[(3~{R},5~{S},6~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid","2020-09-09"],["0GE","N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide","C26 H38 Cl N7 O7 S","ClCC(O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2cccc1c(cccc12)N(C)C)CCC(=O)O)CCCNC(=[N@H])N;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCC(O)=O)C(=O)NCC(=O)N[CH](CCCNC(N)=N)[CH](O)CCl;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCNC(=N)N)C(CCl)O","InChI=1S/C26H38ClN7O7S/c1-34(2)20-9-3-7-17-16(20)6-4-10-22(17)42(40,41)33-19(11-12-24(37)38)25(39)31-15-23(36)32-18(21(35)14-27)8-5-13-30-26(28)29/h3-4,6-7,9-10,18-19,21,33,35H,5,8,11-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/t18-,19-,21+/m0/s1","1,5-DANSYL-GLU-GLY-ARG-CHLOROMETHYL KETONE, bound form","2008-09-14","2024-09-27","N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide",""],["0GF","4-bromo-3-methylbenzoic acid","C8 H7 Br O2","Brc1ccc(C(=O)O)cc1C;Cc1cc(ccc1Br)C(O)=O;Cc1cc(ccc1Br)C(=O)O","InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)","","2012-08-10","2012-10-26","4-bromo-3-methylbenzoic acid","2012-10-26"],["FX1","beta-D-threo-hexo-2,4-diulo-2,5-furanose","C6 H10 O6","OC[CH]1O[C](O)(CO)[CH](O)C1=O;C(C1C(=O)C(C(O1)(CO)O)O)O","InChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1","beta-D-threo-hexo-2,4-diulo-2,5-se; D-threo-hexo-2,4-diulo-2,5-se; threo-hexo-2,4-diulo-2,5-se","2010-01-11","2020-07-17","(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one",""],["0GG","3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alanine","C12 H16 N2 O5","O=C(O)C(N)CNC(=O)Cc1cc(OC)c(O)cc1;COc1cc(CC(=O)NC[CH](N)C(O)=O)ccc1O;COc1cc(ccc1O)CC(=O)NCC(C(=O)O)N","InChI=1S/C12H16N2O5/c1-19-10-4-7(2-3-9(10)15)5-11(16)14-6-8(13)12(17)18/h2-4,8,15H,5-6,13H2,1H3,(H,14,16)(H,17,18)/t8-/m1/s1","","2012-08-10","2012-10-26","3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alanine","2012-10-26"],["FX2","7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one","C22 H18 F3 N3 O3","COc1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3;CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC","InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1","","2018-08-09","2019-01-11","7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one","2019-01-16"],["0GH","N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","C35 H47 N5 O6 S","O=S(=O)(N(c1cc(cc(c1)C(=O)NC(Cc2ccccc2)CNC(C(=O)NCC(C)C)C(O)C)C(=O)NC(c3ccccc3)C)C)C;CC(C)CNC(=O)[CH](NC[CH](Cc1ccccc1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)[CH](C)O;CC(C)CNC(=O)C(C(C)O)NCC(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccccc3","InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25-,30+,32+/m1/s1","","2012-08-10","2012-10-05","N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","2012-10-05"],["FX3","5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose","C15 H18 O8","O=C(OCC1OC(O)C(O)C1O)C=Cc2ccc(O)c(OC)c2;COc1cc(C=CC(=O)OC[CH]2O[CH](O)[CH](O)[CH]2O)ccc1O;COc1cc(ccc1O)C=CC(=O)OCC2C(C(C(O2)O)O)O","InChI=1S/C15H18O8/c1-21-10-6-8(2-4-9(10)16)3-5-12(17)22-7-11-13(18)14(19)15(20)23-11/h2-6,11,13-16,18-20H,7H2,1H3/b5-3+/t11-,13-,14-,15+/m0/s1","","2007-11-12","2011-06-04","5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose",""],["0GI","3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid","C16 H18 N2 O6","CC(C)Cc1cc2c(CCC(O)=O)c([nH]c2c(c1)[N+]([O-])=O)C(O)=O;CC(C)Cc1cc2c(c([nH]c2c(c1)[N+](=O)[O-])C(=O)O)CCC(=O)O","InChI=1S/C16H18N2O6/c1-8(2)5-9-6-11-10(3-4-13(19)20)15(16(21)22)17-14(11)12(7-9)18(23)24/h6-8,17H,3-5H2,1-2H3,(H,19,20)(H,21,22)","","2021-06-09","2022-05-27","3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1~{H}-indole-2-carboxylic acid","2022-06-01"],["FX4","[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid","C15 H13 N O8 S","O=C(O)CN1C(=O)C(SC1=O)=Cc2ccc(OC)c(OCC(=O)O)c2;COc1ccc(cc1OCC(O)=O)C=C2SC(=O)N(CC(O)=O)C2=O;COc1ccc(cc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)CC(=O)O","InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-","[5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid","2009-01-21","2021-03-13","[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid",""],["0GJ","L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide","C14 H28 Cl N6 O5","O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)CNC(=O)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(=O)NCC(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl;C(CC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)N)CNC(=[NH2+])N","InChI=1S/C14H27ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-10,22H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+/m0/s1","","2008-10-08","2025-01-30","L-alpha-glutamyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]glycinamide",""],["FX5","2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol","C14 H18 N5 O","Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O;c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O","InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)/p+1","","2018-08-10","2019-06-07","2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol","2019-06-12"],["0GM","N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide","C51 H61 N5 O6","O=C6NC(C(O)CC(=O)NC(C(=O)NCc1cccc(c1)CNC(=O)CCC6NC(=O)C(Cc3c2ccccc2ccc3)Cc5c4ccccc4ccc5)CC(C)C)CC(C)C;CC(C)C[CH]1NC(=O)[CH](CCC(=O)NCc2cccc(CNC(=O)[CH](CC(C)C)NC(=O)C[CH]1O)c2)NC(=O)C(Cc3cccc4ccccc34)Cc5cccc6ccccc56;CC(C)CC1C(CC(=O)NC(C(=O)NCc2cccc(c2)CNC(=O)CCC(C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O","InChI=1S/C51H61N5O6/c1-32(2)24-44-46(57)29-48(59)54-45(25-33(3)4)50(61)53-31-35-13-9-12-34(26-35)30-52-47(58)23-22-43(51(62)56-44)55-49(60)40(27-38-18-10-16-36-14-5-7-20-41(36)38)28-39-19-11-17-37-15-6-8-21-42(37)39/h5-21,26,32-33,40,43-46,57H,22-25,27-31H2,1-4H3,(H,52,58)(H,53,61)(H,54,59)(H,55,60)(H,56,62)/t43-,44-,45-,46-/m0/s1","CP-129,541","2008-09-14","2021-03-13","N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide",""],["FX6","(2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid","C9 H11 N5 O2 S","CC[CH](Sc1[nH]c2ncnc(N)c2n1)C(O)=O;CCC(C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N","InChI=1S/C9H11N5O2S/c1-2-4(8(15)16)17-9-13-5-6(10)11-3-12-7(5)14-9/h3-4H,2H2,1H3,(H,15,16)(H3,10,11,12,13,14)/t4-/m0/s1","","2020-06-30","2021-04-16","(2~{S})-2-[(6-azanyl-9~{H}-purin-8-yl)sulfanyl]butanoic acid","2021-04-21"],["FX7","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate","C22 H24 Br2 N2 O5","C(CCC)CCCC(Oc1c(Br)cc(Br)cc1CNC(c2ccccc2[N+]([O-])=O)=O)=O;CCCCCCCC(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c2ccccc2[N+]([O-])=O;CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]","InChI=1S/C22H24Br2N2O5/c1-2-3-4-5-6-11-20(27)31-21-15(12-16(23)13-18(21)24)14-25-22(28)17-9-7-8-10-19(17)26(29)30/h7-10,12-13H,2-6,11,14H2,1H3,(H,25,28)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate","2018-08-08"],["0GO","(2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide","C33 H48 N4 O3","O=C(NC(Cc1ccccc1)C(O)CNCc2cccc(c2)C(C)C)C(N4C(=O)C3(N(CCC3)CCC)CC4)C;CCCN1CCC[C]12CCN([CH](C)C(=O)N[CH](Cc3ccccc3)[CH](O)CNCc4cccc(c4)C(C)C)C2=O;CCCN1CCCC12CCN(C2=O)C(C)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)C(C)C)O","InChI=1S/C33H48N4O3/c1-5-17-36-18-10-15-33(36)16-19-37(32(33)40)25(4)31(39)35-29(21-26-11-7-6-8-12-26)30(38)23-34-22-27-13-9-14-28(20-27)24(2)3/h6-9,11-14,20,24-25,29-30,34,38H,5,10,15-19,21-23H2,1-4H3,(H,35,39)/t25-,29-,30+,33-/m0/s1","","2012-01-11","2012-11-16","(2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide","2012-11-16"],["0GQ","4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide","C41 H64 N10 O6","O=C(NC(C(=O)NCCC(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(C(=O)NCc2cnc(nc2N)C)C(C)CC)Cc3ccccc3)N4CCC(N)CC4;CC[CH](C)[CH](NC(=O)C[CH](O)[CH](CC1CCCCC1)NC(=O)CCNC(=O)[CH](Cc2ccccc2)NC(=O)N3CC[CH](N)CC3)C(=O)NCc4cnc(C)nc4N;CCC(C)C(C(=O)NCc1cnc(nc1N)C)NC(=O)CC(C(CC2CCCCC2)NC(=O)CCNC(=O)C(Cc3ccccc3)NC(=O)N4CCC(CC4)N)O","InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1","","2009-03-09","2011-07-13","4-amino-N-[(4S,8S,9S,16S)-1-(4-amino-2-methylpyrimidin-5-yl)-4-[(2S)-butan-2-yl]-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,15-tetraoxo-17-phenyl-2,5,10,14-tetraazaheptadecan-16-yl]piperidine-1-carboxamide (non-preferred name)",""],["FX8","(2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C46 H60 F N9 O8 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOCCOCCN5CCN(CC5)c6cc(nnc6N)c7ccccc7O)c2;Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)C6CC(CN6C(=O)C(C(C)(C)C)NC(=O)C7(CC7)F)O","InChI=1S/C46H60FN9O8S/c1-29-39(65-28-50-29)30-9-10-31(26-49-42(59)36-24-32(57)27-56(36)43(60)40(45(2,3)4)51-44(61)46(47)11-12-46)38(23-30)64-22-21-63-20-19-62-18-17-54-13-15-55(16-14-54)35-25-34(52-53-41(35)48)33-7-5-6-8-37(33)58/h5-10,23,25,28,32,36,40,57-58H,11-22,24,26-27H2,1-4H3,(H2,48,53)(H,49,59)(H,51,61)/t32-,36+,40-/m1/s1","","2018-08-10","2019-06-07","(2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2019-06-12"],["0GR","N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan","C22 H25 N3 O5","O=C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)c3occc3;CC(C)C[CH](NC(=O)c1occc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O;CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3","InChI=1S/C22H25N3O5/c1-13(2)10-17(24-21(27)19-8-5-9-30-19)20(26)25-18(22(28)29)11-14-12-23-16-7-4-3-6-15(14)16/h3-9,12-13,17-18,23H,10-11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18-/m0/s1","","2008-09-14","2011-07-13","N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan",""],["FX9","(2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid","C10 H10 F3 N O2","N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O;c1cc(cc(c1)C(F)(F)F)CC(C(=O)O)N","InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1","","2020-06-30","2024-09-27","(2~{S})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid","2023-11-01"],["FXA","N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE","C23 H17 Cl N4 O4 S","Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O;Clc1ccc(N[S](=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O)nc1;c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl","InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30)","N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide","2008-03-06","2020-06-17","N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide",""],["0GS","(3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","C21 H24 Br F3 N2 O3 S","O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(F)(F)C)C2)Cc3cc(F)c(N)c(Br)c3;CC(F)(F)c1cccc(CN[CH]2C[S](=O)(=O)C[CH](Cc3cc(F)c(N)c(Br)c3)[CH]2O)c1;CC(c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(c3)Br)N)F)(F)F","InChI=1S/C21H24BrF3N2O3S/c1-21(24,25)15-4-2-3-12(6-15)9-27-18-11-31(29,30)10-14(20(18)28)5-13-7-16(22)19(26)17(23)8-13/h2-4,6-8,14,18,20,27-28H,5,9-11,26H2,1H3/t14-,18+,20+/m1/s1","","2012-01-11","2012-11-16","(3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","2012-11-16"],["0GT","(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","C27 H34 F2 N2 O3 S","O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc4ccc3ncc(c3c4)CC(F)F;CC(C)(C)c1cccc(CN[CH]2C[S](=O)(=O)C[CH](Cc3ccc4[nH]cc(CC(F)F)c4c3)[CH]2O)c1;CC(C)(C)c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F","InChI=1S/C27H34F2N2O3S/c1-27(2,3)21-6-4-5-18(10-21)13-30-24-16-35(33,34)15-20(26(24)32)9-17-7-8-23-22(11-17)19(14-31-23)12-25(28)29/h4-8,10-11,14,20,24-26,30-32H,9,12-13,15-16H2,1-3H3/t20-,24+,26+/m1/s1","","2012-01-11","2012-11-16","(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","2012-11-16"],["FXB","5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione","C21 H21 N O3","CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13;CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2","InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3","","2018-08-11","2019-03-22","5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione","2019-03-27"],["0GU","(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","C30 H39 F3 N2 O3 S","O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc5cc3c(NCC34CCC(F)(F)CC4)c(F)c5;CC(C)(C)c1cccc(CN[CH]2C[S](=O)(=O)C[CH](Cc3cc(F)c4NCC5(CCC(F)(F)CC5)c4c3)[CH]2O)c1;CC(C)(C)c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F","InChI=1S/C30H39F3N2O3S/c1-28(2,3)22-6-4-5-19(12-22)15-34-25-17-39(37,38)16-21(27(25)36)11-20-13-23-26(24(31)14-20)35-18-29(23)7-9-30(32,33)10-8-29/h4-6,12-14,21,25,27,34-36H,7-11,15-18H2,1-3H3/t21-,25+,27+/m1/s1","","2012-01-13","2012-11-16","(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","2012-11-16"],["FXC","(2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid","C10 H10 F3 N O2","N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O;c1cc(cc(c1)C(F)(F)F)CC(C(=O)O)N","InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1","","2020-06-30","2023-10-27","(2~{R})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid","2023-11-01"],["0GV","(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one","C27 H44 O2","O=C1C=C4C(C3C1C2C(C(C(C)CCCC(C)C)CC2)(C)CC3)(CCC(O)C4)C;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](CC[C]12C)[C]4(C)CC[CH](O)CC4=CC3=O;CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C","InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1","7-ketocholesterol","2012-01-13","2021-03-01","(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one","2013-01-04"],["FXD","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate","C21 H14 Br2 N2 O5","[N+]([O-])(c1ccccc1C(=O)NCc2c(c(cc(c2)Br)Br)OC(=O)c3ccccc3)=O;[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccccc3;c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]","InChI=1S/C21H14Br2N2O5/c22-15-10-14(12-24-20(26)16-8-4-5-9-18(16)25(28)29)19(17(23)11-15)30-21(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,26)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate","2018-08-08"],["0GW","5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C13 H12 N4 O2","CCOc1nc(cc2ccccc12)C=1NC(=O)NN=1;CCOc1nc(cc2ccccc12)C3=NNC(=O)N3;CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3","InChI=1S/C13H12N4O2/c1-2-19-12-9-6-4-3-5-8(9)7-10(14-12)11-15-13(18)17-16-11/h3-7H,2H2,1H3,(H2,15,16,17,18)","","2021-06-08","2021-09-03","5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","2021-09-08"],["FXE","1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea","C17 H18 N4 O3","O=C(Nc1ccccc1OC)Nc3nn(c2cccc(OC)c23)C;COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23;Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC","InChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22)","","2013-05-17","2014-09-05","1-(4-methoxy-1-methyl-1H-indazol-3-yl)-3-(2-methoxyphenyl)urea","2013-09-18"],["0GX","{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone","C23 H28 Br F N2 O2 S","Fc1ccc(cc1C3CC4N(C(=O)c2sc(OCCC)c(Br)c2C)C(C3)CC4)CN;CCCOc1sc(c(C)c1Br)C(=O)N2[CH]3CC[CH]2CC(C3)c4cc(CN)ccc4F;CCCOc1c(c(c(s1)C(=O)N2C3CCC2CC(C3)c4cc(ccc4F)CN)C)Br","InChI=1S/C23H28BrFN2O2S/c1-3-8-29-23-20(24)13(2)21(30-23)22(28)27-16-5-6-17(27)11-15(10-16)18-9-14(12-26)4-7-19(18)25/h4,7,9,15-17H,3,5-6,8,10-12,26H2,1-2H3/t15-,16-,17+","","2012-01-13","2012-03-09","{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone",""],["FXF","(2R)-2-azanyl-3-(3-bromophenyl)propanoic acid","C9 H10 Br N O2","N[CH](Cc1cccc(Br)c1)C(O)=O;c1cc(cc(c1)Br)CC(C(=O)O)N","InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1","","2020-06-30","2023-10-27","(2~{R})-2-azanyl-3-(3-bromophenyl)propanoic acid","2023-11-01"],["FXG","N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide","C22 H29 N7 O2","O=C(NCCCC)c1cc(ccc1)NC(=O)CCCCCNc3ncnc2c3ncn2;CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2ncnc3[nH]cnc23)c1;CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2","InChI=1S/C22H29N7O2/c1-2-3-11-24-22(31)16-8-7-9-17(13-16)29-18(30)10-5-4-6-12-23-20-19-21(26-14-25-19)28-15-27-20/h7-9,13-15H,2-6,10-12H2,1H3,(H,24,31)(H,29,30)(H2,23,25,26,27,28)","","2008-06-03","2011-06-04","N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide",""],["0GY","(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid","C7 H6 O7","O=C(O)C(O)=CC(C(=O)O)=C/C(=O)O;OC(=O)C=C(C=C(O)C(O)=O)C(O)=O;C(=C(C=C(C(=O)O)O)C(=O)O)C(=O)O","InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1-","","2012-01-13","2012-01-20","(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid",""],["FXH","1-[(dimethylamino)methyl]naphthalen-2-ol","C13 H15 N O","CN(C)Cc1c(O)ccc2ccccc12;CN(C)Cc1c2ccccc2ccc1O","InChI=1S/C13H15NO/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13(12)15/h3-8,15H,9H2,1-2H3","","2018-08-13","2020-01-03","1-[(dimethylamino)methyl]naphthalen-2-ol","2020-01-08"],["0GZ","2-oxo-2H-pyran-4,6-dicarboxylic acid","C7 H4 O6","O=C1OC(=CC(C(=O)O)=C1)C(=O)O;OC(=O)C1=CC(=CC(=O)O1)C(O)=O;C1=C(C=C(OC1=O)C(=O)O)C(=O)O","InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)","","2012-01-13","2012-01-20","2-oxo-2H-pyran-4,6-dicarboxylic acid",""],["FXI","1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide","C28 H29 Cl F N3 O4 S","O=C(Nc2ccc(c1ccccc1S(=O)(=O)C)cc2F)C4(N(C(=O)Nc3ccc(Cl)cc3)CCCC)CC4;CCCCN(C(=O)Nc1ccc(Cl)cc1)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4[S](C)(=O)=O;CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C","InChI=1S/C28H29ClFN3O4S/c1-3-4-17-33(27(35)31-21-12-10-20(29)11-13-21)28(15-16-28)26(34)32-24-14-9-19(18-23(24)30)22-7-5-6-8-25(22)38(2,36)37/h5-14,18H,3-4,15-17H2,1-2H3,(H,31,35)(H,32,34)","","2007-08-03","2011-06-04","1-{butyl[(4-chlorophenyl)carbamoyl]amino}-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide",""],["0H0","Carbohydrate component from a pentavalent N-acetylneuraminic acid conjugate","C15 H27 N O9","CCCCO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CO)C(O)=O;CCCCOC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O","InChI=1S/C15H27NO9/c1-3-4-5-24-15(14(22)23)6-9(19)11(16-8(2)18)13(25-15)12(21)10(20)7-17/h9-13,17,19-21H,3-7H2,1-2H3,(H,16,18)(H,22,23)/t9-,10+,11+,12+,13+,15+/m0/s1","(1R,2R)-1-[(2R,3R,4S,6R)-6-[bis(oxidanyl)methyl]-3-(1-hydroxyethylamino)-4-oxidanyl-6-propoxy-oxan-2-yl]propane-1,2,3-triol; (2R,4S,5R,6R)-5-acetamido-2-butoxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2021-06-05","2021-10-08","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-butoxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2021-10-13"],["FXJ","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate","C22 H16 Br2 N2 O6","c2(Br)cc(cc(CNC(c1ccccc1[N+]([O-])=O)=O)c2OC(c3ccc(cc3)OC)=O)Br;COc1ccc(cc1)C(=O)Oc2c(Br)cc(Br)cc2CNC(=O)c3ccccc3[N+]([O-])=O;COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]","InChI=1S/C22H16Br2N2O6/c1-31-16-8-6-13(7-9-16)22(28)32-20-14(10-15(23)11-18(20)24)12-25-21(27)17-4-2-3-5-19(17)26(29)30/h2-11H,12H2,1H3,(H,25,27)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate","2018-08-08"],["0H1","5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid","C18 H17 N3 O7 S2","CCc1cc2c(CCC(=O)N[S](=O)(=O)c3sccc3)c([nH]c2c(c1)[N+]([O-])=O)C(O)=O;CCc1cc2c(c([nH]c2c(c1)[N+](=O)[O-])C(=O)O)CCC(=O)NS(=O)(=O)c3cccs3","InChI=1S/C18H17N3O7S2/c1-2-10-8-12-11(17(18(23)24)19-16(12)13(9-10)21(25)26)5-6-14(22)20-30(27,28)15-4-3-7-29-15/h3-4,7-9,19H,2,5-6H2,1H3,(H,20,22)(H,23,24)","","2021-06-09","2022-05-27","5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1~{H}-indole-2-carboxylic acid","2022-06-01"],["0H2","[1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium","C20 H19 N3 O2 Ru S4","O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[Ru]576(/N=C=S)S4CCS6CCS5CC4;O=C1NC(=O)c2cc3c([Ru]|4|5(|S6CCS|4CCS|5CC6)(N=C=S)|n7ccccc37)cc12;c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O","InChI=1S/C13H7N2O2.C6H12S3.CNS.Ru/c16-12-9-5-4-8(7-10(9)13(17)15-12)11-3-1-2-6-14-11;1-2-8-5-6-9-4-3-7-1;2-1-3;/h1-3,5-7H,(H,15,16,17);1-6H2;;/q;;-1;+1","","2012-01-17","2012-03-09","[1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium",""],["FXK","1~{H}-indol-3-ylmethanol","C9 H9 N O","OCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CO","InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2","","2018-08-13","2021-05-14","1~{H}-indol-3-ylmethanol","2021-05-19"],["FXL","(2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid","C9 H10 Cl N O2","N[CH](Cc1cccc(Cl)c1)C(O)=O;c1cc(cc(c1)Cl)CC(C(=O)O)N","InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1","","2020-06-30","2023-10-27","(2~{R})-2-azanyl-3-(3-chlorophenyl)propanoic acid","2023-11-01"],["0H3","7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one","C23 H31 N5 O4","O=C2N=C(c1cnc(cc1N2CCOCCC)c3ccc(OC)nc3)NCCOC(C)C;CCCOCCN1C(=O)N=C(NCCOC(C)C)c2cnc(cc12)c3ccc(OC)nc3;CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC","InChI=1S/C23H31N5O4/c1-5-10-31-12-9-28-20-13-19(17-6-7-21(30-4)26-14-17)25-15-18(20)22(27-23(28)29)24-8-11-32-16(2)3/h6-7,13-16H,5,8-12H2,1-4H3,(H,24,27,29)","","2012-01-17","2012-01-20","7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one",""],["FXM","2,2-dimethylpropanoyloxymethyl\n(2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-\n3,6-dihydro-2H-1,3-thiazine-4-carboxylate","C23 H31 N5 O8 S2","CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2;CCC=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C","InChI=1S/C23H31N5O8S2/c1-5-6-13(15-10-38-21(24)27-15)17(30)26-14(7-29)18-28-16(12(9-37-18)8-34-22(25)33)19(31)35-11-36-20(32)23(2,3)4/h6-7,10,14,18,28H,5,8-9,11H2,1-4H3,(H2,24,27)(H2,25,33)(H,26,30)/b13-6-/t14-,18-/m1/s1","FLOMOX open form","2005-11-16","2024-09-27","2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate",""],["0H4","(2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide","C20 H22 F3 N3 O2","FC(F)(F)C=1C=CN(C(=O)C=1)C(C(=O)Nc2ncc(cc2)C)CC3CCCC3;Cc1ccc(NC(=O)[CH](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F)nc1;Cc1ccc(nc1)NC(=O)C(CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F","InChI=1S/C20H22F3N3O2/c1-13-6-7-17(24-12-13)25-19(28)16(10-14-4-2-3-5-14)26-9-8-15(11-18(26)27)20(21,22)23/h6-9,11-12,14,16H,2-5,10H2,1H3,(H,24,25,28)/t16-/m0/s1","","2012-01-17","2012-02-03","(2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide",""],["0H5","6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine","C13 H13 N5 O","n2c(Nc1nn(cc1)C)c3cc(OC)ccc3nc2;COc1ccc2ncnc(Nc3ccn(C)n3)c2c1;Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC","InChI=1S/C13H13N5O/c1-18-6-5-12(17-18)16-13-10-7-9(19-2)3-4-11(10)14-8-15-13/h3-8H,1-2H3,(H,14,15,16,17)","","2012-01-17","2012-02-03","6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine",""],["FXN","5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE","C11 H11 F N2 O S","Fc1cc2c(cc1)nc(c2)C(=O)NCCS;Fc1ccc2[nH]c(cc2c1)C(=O)NCCS;c1cc2c(cc1F)cc([nH]2)C(=O)NCCS","InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)","FICA","2004-02-27","2024-09-27","5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide",""],["0H6","6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid","C18 H19 F3 N4 O3","O=C(O)c1ccc(nc1)NC(=O)C(n2cc(nc2)C(F)(F)F)CC3CCCC3;OC(=O)c1ccc(NC(=O)[CH](CC2CCCC2)n3cnc(c3)C(F)(F)F)nc1;c1cc(ncc1C(=O)O)NC(=O)C(CC2CCCC2)n3cc(nc3)C(F)(F)F","InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1","","2012-01-17","2012-02-03","6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid",""],["FXQ","1-(4-carbamimidamidobutyl)guanidine","C6 H16 N6","NC(=N)NCCCCNC(N)=N;C(CCNC(=N)N)CNC(=N)N","InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","","2018-08-13","2019-02-15","1-(4-carbamimidamidobutyl)guanidine","2019-02-20"],["FXR","6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide","C19 H16 N6 O2","CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C12)C(=O)NCc4cccnc4;CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O","InChI=1S/C19H16N6O2/c1-11-4-3-7-25-17(11)24-16-14(19(25)27)8-13(15(20)23-16)18(26)22-10-12-5-2-6-21-9-12/h2-9H,10H2,1H3,(H2,20,23)(H,22,26)","","2020-07-05","2021-06-04","6-azanyl-11-methyl-2-oxidanylidene-~{N}-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide","2021-06-09"],["0H7","(3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol","C16 H17 Cl2 N O S2","Clc1sc(cc1)C(O)(c2sc(Cl)cc2)C4C3CCN(CC3)C4;OC([CH]1CN2CCC1CC2)(c3sc(Cl)cc3)c4sc(Cl)cc4;c1cc(sc1C(c2ccc(s2)Cl)(C3CN4CCC3CC4)O)Cl","InChI=1S/C16H17Cl2NOS2/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19/h1-4,10-11,20H,5-9H2/t11-/m0/s1","","2012-01-18","2013-04-12","(3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol","2013-04-17"],["0H8","N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide","C19 H35 N4 O8 P","O=C(NC(CCCCN)P(=O)(O)O)C1N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC1;CC(C)[CH](NC(=O)CCC(O)=O)C(=O)N1CCC[CH]1C(=O)N[CH](CCCCN)[P](O)(O)=O;CC(C)C(C(=O)N1CCCC1C(=O)NC(CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O","InChI=1S/C19H35N4O8P/c1-12(2)17(21-14(24)8-9-16(25)26)19(28)23-11-5-6-13(23)18(27)22-15(32(29,30)31)7-3-4-10-20/h12-13,15,17H,3-11,20H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)(H2,29,30,31)/t13-,15+,17-/m0/s1","","2009-01-16","2024-09-27","N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide",""],["FXS","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate","C21 H13 Br2 N3 O7","c1ccc(c(c1)[N+](=O)[O-])C(Oc2c(cc(cc2Br)Br)CNC(c3c(cccc3)[N+]([O-])=O)=O)=O;[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccccc3[N+]([O-])=O;c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-]","InChI=1S/C21H13Br2N3O7/c22-13-9-12(11-24-20(27)14-5-1-3-7-17(14)25(29)30)19(16(23)10-13)33-21(28)15-6-2-4-8-18(15)26(31)32/h1-10H,11H2,(H,24,27)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate","2018-08-08"],["FXT","1-(5-carbamimidamidopentyl)guanidine","C7 H18 N6","NC(=N)NCCCCCNC(N)=N;C(CCNC(=N)N)CCNC(=N)N","InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)","","2018-08-14","2019-02-15","1-(5-carbamimidamidopentyl)guanidine","2019-02-20"],["0H9","2-[(4-methoxybenzyl)amino]ethanesulfonic acid","C10 H15 N O4 S","O=S(=O)(O)CCNCc1ccc(OC)cc1;COc1ccc(CNCC[S](O)(=O)=O)cc1;COc1ccc(cc1)CNCCS(=O)(=O)O","InChI=1S/C10H15NO4S/c1-15-10-4-2-9(3-5-10)8-11-6-7-16(12,13)14/h2-5,11H,6-8H2,1H3,(H,12,13,14)","","2012-06-29","2012-10-26","2-[(4-methoxybenzyl)amino]ethanesulfonic acid","2012-10-26"],["0HD","1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea","C16 H16 N4 O","O=C(NCCc1ccccc1)Nc2cc3c(cc2)nnc3;O=C(NCCc1ccccc1)Nc2ccc3[nH]ncc3c2;c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3","InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)","","2012-01-18","2012-02-03","1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea",""],["FXU","(2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide","C12 H15 F3 N2 O4 S","C[S](=O)(=O)CC[CH](N)C(=O)Nc1cccc(OC(F)(F)F)c1;CS(=O)(=O)CCC(C(=O)Nc1cccc(c1)OC(F)(F)F)N","InChI=1S/C12H15F3N2O4S/c1-22(19,20)6-5-10(16)11(18)17-8-3-2-4-9(7-8)21-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18)/t10-/m1/s1","","2020-07-08","2020-11-27","(2~{R})-2-azanyl-4-methylsulfonyl-~{N}-[3-(trifluoromethyloxy)phenyl]butanamide","2020-12-02"],["0HG","N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine","C17 H23 Br N3 O6 S","Brc1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+];[NH3+][CH](CCC(=O)N[CH](CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+])Br","InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p+1/t12-,13-/m0/s1","S-(p-bromobenzyl)-glutathione","2008-09-14","2021-03-01","N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine",""],["FXV","METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE","C25 H27 N4 O4","O=C(OC)C(Cc1cc(C(=[NH2+])N)ccc1)C(NC(=O)c3ccc(c2cc[n+]([O-])cc2)cc3)C;COC(=O)[CH](Cc1cccc(c1)C(N)=[NH2+])[CH](C)NC(=O)c2ccc(cc2)c3cc[n+]([O-])cc3;CC(C(Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-]","InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1","FXV673","2002-01-31","2021-03-01","amino{3-[(2R,3R)-2-(methoxycarbonyl)-3-({[4-(1-oxidopyridin-4-yl)phenyl]carbonyl}amino)butyl]phenyl}methaniminium",""],["FXW","6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE)","C22 H26 N4 O4 S2","O=[S]1(=O)NCN(C2CC2)c3cc(CCc4ccc5c(c4)N(CN[S]5(=O)=O)C6CC6)ccc13;c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6","InChI=1S/C22H26N4O4S2/c27-31(28)21-9-3-15(11-19(21)25(13-23-31)17-5-6-17)1-2-16-4-10-22-20(12-16)26(18-7-8-18)14-24-32(22,29)30/h3-4,9-12,17-18,23-24H,1-2,5-8,13-14H2","","2018-08-15","2019-03-29","4-cyclopropyl-6-[2-[4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-6-yl]ethyl]-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide","2019-04-03"],["0HH","L-gamma-glutamyl-S-nonyl-L-cysteinylglycine","C19 H35 N3 O6 S","O=C(NC(C(=O)NCC(=O)O)CSCCCCCCCCC)CCC(C(=O)O)N;CCCCCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C19H35N3O6S/c1-2-3-4-5-6-7-8-11-29-13-15(18(26)21-12-17(24)25)22-16(23)10-9-14(20)19(27)28/h14-15H,2-13,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t14-,15-/m0/s1","","2009-02-04","2011-07-13","L-gamma-glutamyl-S-nonyl-L-cysteinylglycine",""],["0HJ","6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside","C62 H118 O13","CCCCCCC1CC1CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O;CCCCCCCCCCCCCCCCCCCCC[CH]([CH](O)CCCCCCCCCCCCCCCCC[CH]1C[CH]1CCCCCC)C(=O)OC[CH]2O[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O;CCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCC)O)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C62H118O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-39-43-50(60(71)72-47-53-55(66)57(68)59(70)62(74-53)75-61-58(69)56(67)54(65)52(46-63)73-61)51(64)44-40-36-33-30-27-24-21-18-19-22-25-28-31-34-38-42-49-45-48(49)41-37-8-6-4-2/h48-59,61-70H,3-47H2,1-2H3/t48-,49-,50+,51+,52-,53-,54-,55-,56+,57+,58-,59-,61-,62-/m1/s1","","2021-06-09","2021-08-27","6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside","2021-09-01"],["FXX","(3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid","C11 H11 F3 N2 O4","N[CH](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1;c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CC(=O)O)N","InChI=1S/C11H11F3N2O4/c12-11(13,14)20-7-3-1-2-6(4-7)16-10(19)8(15)5-9(17)18/h1-4,8H,5,15H2,(H,16,19)(H,17,18)/t8-/m1/s1","","2020-07-08","2020-11-27","(3~{R})-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid","2020-12-02"],["FXY","1-METHYLHEPTYLFORMAMIDE","C9 H19 N O","O=CNC(CCCCCC)C;CCCCCC[CH](C)NC=O;CCCCCCC(C)NC=O","InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1","N-1-METHYLHEPTYLFORMAMIDE","2004-07-25","2020-06-17","N-[(1R)-1-methylheptyl]formamide",""],["0HK","(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane","C19 H22 N O4 S2","O=C(OC3CC1[N+](C)(C)C(C2OC12)C3)C(O)(c4sccc4)c5sccc5;C[N+]1(C)[CH]2CC(C[CH]1[CH]3O[CH]23)OC(=O)C(O)(c4sccc4)c5sccc5;C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C","InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+","Tiotropium","2012-01-18","2021-03-01","(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane",""],["FY0","(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid","C12 H16 N O7 P","CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O;CNC(=O)CC(Cc1ccc(cc1)OP(=O)(O)O)C(=O)O","InChI=1S/C12H16NO7P/c1-13-11(14)7-9(12(15)16)6-8-2-4-10(5-3-8)20-21(17,18)19/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t9-/m0/s1","","2010-02-04","2012-01-13","(2S)-4-(methylamino)-4-oxo-2-[(4-phosphonooxyphenyl)methyl]butanoic acid",""],["0HL","4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide","C26 H26 N4 O4 S3","O=S(=O)(c2cc1cc(OC)ccc1cc2)N(Cc3ccsc3)C4C(=O)N(CC4)Cc5cc(sc5)C(=[N@H])N;COc1ccc2ccc(cc2c1)[S](=O)(=O)N(Cc3cscc3)[CH]4CCN(Cc5csc(c5)C(N)=N)C4=O;COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc3ccsc3)C4CCN(C4=O)Cc5cc(sc5)C(=N)N","InChI=1S/C26H26N4O4S3/c1-34-21-4-2-19-3-5-22(12-20(19)11-21)37(32,33)30(14-17-7-9-35-15-17)23-6-8-29(26(23)31)13-18-10-24(25(27)28)36-16-18/h2-5,7,9-12,15-16,23H,6,8,13-14H2,1H3,(H3,27,28)/t23-/m1/s1","","2012-01-18","2012-11-16","4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide","2012-11-16"],["0HM","2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium","C24 H24 N5 O2","O=C(Nc1ccc(cc1)CN)c2c(O)ccc[n+]2Cc3nccn3Cc4ccccc4;NCc1ccc(NC(=O)c2c(O)ccc[n+]2Cc3nccn3Cc4ccccc4)cc1;c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O","InChI=1S/C24H23N5O2/c25-15-18-8-10-20(11-9-18)27-24(31)23-21(30)7-4-13-29(23)17-22-26-12-14-28(22)16-19-5-2-1-3-6-19/h1-14H,15-17,25H2,(H-,27,30,31)/p+1","","2012-01-19","2012-03-16","2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium",""],["FY1","N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide","C16 H14 Br2 N2 O5","[N+]([O-])(c1c(cccc1)C(NCc2c(c(Br)cc(c2)Br)OCOC)=O)=O;COCOc1c(Br)cc(Br)cc1CNC(=O)c2ccccc2[N+]([O-])=O;COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]","InChI=1S/C16H14Br2N2O5/c1-24-9-25-15-10(6-11(17)7-13(15)18)8-19-16(21)12-4-2-3-5-14(12)20(22)23/h2-7H,8-9H2,1H3,(H,19,21)","","2018-04-23","2018-08-03","N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide","2018-08-08"],["0HN","1,3-benzodioxole-5-carboxylic acid","C8 H6 O4","O=C(O)c1ccc2OCOc2c1;OC(=O)c1ccc2OCOc2c1;c1cc2c(cc1C(=O)O)OCO2","InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)","benzo[d][1,3]dioxole-5-carboxylic acid","2012-01-19","2020-06-17","1,3-benzodioxole-5-carboxylic acid","2013-02-08"],["FY2","2,3-difluoro-L-tyrosine","C9 H9 F2 N O3","NC(Cc1c(c(F)c(O)cc1)F)C(=O)O;N[CH](Cc1ccc(O)c(F)c1F)C(O)=O;c1cc(c(c(c1CC(C(=O)O)N)F)F)O","InChI=1S/C9H9F2NO3/c10-7-4(3-5(12)9(14)15)1-2-6(13)8(7)11/h1-2,5,13H,3,12H2,(H,14,15)/t5-/m0/s1","","2015-07-13","2024-09-27","2,3-difluoro-L-tyrosine","2016-06-22"],["0HO","2,1,3-benzothiadiazole-5-carboxylic acid","C7 H4 N2 O2 S","O=C(O)c1ccc2nsnc2c1;OC(=O)c1ccc2nsnc2c1;c1cc2c(cc1C(=O)O)nsn2","InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)","","2012-01-19","2013-02-08","2,1,3-benzothiadiazole-5-carboxylic acid","2013-02-08"],["FY3","2,3,5-trifluoro-L-tyrosine","C9 H8 F3 N O3","NC(C(=O)O)Cc1cc(F)c(c(c1F)F)O;N[CH](Cc1cc(F)c(O)c(F)c1F)C(O)=O;c1c(c(c(c(c1F)O)F)F)CC(C(=O)O)N","InChI=1S/C9H8F3NO3/c10-4-1-3(2-5(13)9(15)16)6(11)7(12)8(4)14/h1,5,14H,2,13H2,(H,15,16)/t5-/m0/s1","","2015-07-13","2024-09-27","2,3,5-trifluoro-L-tyrosine","2016-07-13"],["FY4","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate","C21 H13 Br2 Cl N2 O5","c1(c(Br)cc(cc1CNC(c2ccccc2[N+](=O)[O-])=O)Br)OC(c3ccc(Cl)cc3)=O;[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccc(Cl)cc3;c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-]","InChI=1S/C21H13Br2ClN2O5/c22-14-9-13(11-25-20(27)16-3-1-2-4-18(16)26(29)30)19(17(23)10-14)31-21(28)12-5-7-15(24)8-6-12/h1-10H,11H2,(H,25,27)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate","2018-08-08"],["0HP","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{H}-indol-6-yl)ethanamide","C22 H20 N4 O S","NC(=N)c1sc(CNC(=O)Cc2ccc3cc[nH]c3c2)c(c1)c4ccccc4;c1ccc(cc1)c2cc(sc2CNC(=O)Cc3ccc4cc[nH]c4c3)C(=N)N","InChI=1S/C22H20N4OS/c23-22(24)19-12-17(15-4-2-1-3-5-15)20(28-19)13-26-21(27)11-14-6-7-16-8-9-25-18(16)10-14/h1-10,12,25H,11,13H2,(H3,23,24)(H,26,27)","","2021-06-07","2022-06-17","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{H}-indol-6-yl)ethanamide","2022-06-22"],["0HQ","diazomethane","C H2 N2","[N-]=[N+]=C;C=[N+]=[N-];C=[N+]=[N-]","InChI=1S/CH2N2/c1-3-2/h1H2","DIAZOMETHYL GROUP","2008-12-09","2024-09-27","diazomethane",""],["FY5","estrone 3-sulfate","C18 H22 O5 S","C[C]12CC[CH]3[CH](CCc4cc(O[S](O)(=O)=O)ccc34)[CH]1CCC2=O;CC12CCC3c4ccc(cc4CCC3C1CCC2=O)OS(=O)(=O)O","InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16-,18-/m0/s1","","2018-08-16","2018-11-02","[(8~{S},9~{R},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate","2018-11-07"],["0HT","methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate","C28 H48 N4 O5","O=C(OC)C(NC(=O)C(NC(=O)C(NCC(O)C(N)CC(C)C)C(C)C)C(C)CC)Cc1ccccc1;CC[CH](C)[CH](NC(=O)[CH](NC[CH](O)[CH](N)CC(C)C)C(C)C)C(=O)N[CH](Cc1ccccc1)C(=O)OC;CCC(C)C(C(=O)NC(Cc1ccccc1)C(=O)OC)NC(=O)C(C(C)C)NCC(C(CC(C)C)N)O","InChI=1S/C28H48N4O5/c1-8-19(6)25(27(35)31-22(28(36)37-7)15-20-12-10-9-11-13-20)32-26(34)24(18(4)5)30-16-23(33)21(29)14-17(2)3/h9-13,17-19,21-25,30,33H,8,14-16,29H2,1-7H3,(H,31,35)(H,32,34)/t19-,21-,22-,23-,24-,25-/m0/s1","","2008-09-14","2011-07-13","methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate",""],["FY6","(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol","C14 H17 Cl N2 O","C[CH](O)c1nccn1CCCc2ccc(Cl)cc2;CC(c1nccn1CCCc2ccc(cc2)Cl)O","InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1","","2020-07-08","2020-11-27","(1~{S})-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol","2020-12-02"],["0HV","3-[(4-nitronaphthalen-1-yl)amino]benzoic acid","C17 H12 N2 O4","[O-][N+](=O)c1c3c(c(cc1)Nc2cc(ccc2)C(=O)O)cccc3;OC(=O)c1cccc(Nc2ccc(c3ccccc23)[N+]([O-])=O)c1;c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O","InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)","","2012-01-19","2012-03-23","3-[(4-nitronaphthalen-1-yl)amino]benzoic acid",""],["FY7","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate","C22 H13 Br2 N3 O5","c1cc(c(cc1)C#N)C(=O)Oc2c(cc(cc2CNC(c3c(cccc3)[N+](=O)[O-])=O)Br)Br;[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccccc3C#N;c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]","InChI=1S/C22H13Br2N3O5/c23-15-9-14(12-26-21(28)17-7-3-4-8-19(17)27(30)31)20(18(24)10-15)32-22(29)16-6-2-1-5-13(16)11-25/h1-10H,12H2,(H,26,28)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate","2018-08-08"],["FY8","N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide","C12 H15 Cl N2 O2","Oc1ccc(Cl)cc1NC(=O)C2CCNCC2;c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O","InChI=1S/C12H15ClN2O2/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2,(H,15,17)","","2015-09-11","2015-12-11","N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide","2015-12-16"],["0HW","N-[(3S)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline","C17 H26 N2 O7","O=C(NC(C(=O)N1C(C(=O)O)CCC1)C(C)CC)C2OC2C(=O)OCC;CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(=O)N2CCC[CH]2C(O)=O;CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2C(O2)C(=O)OCC","InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12+,13+/m0/s1","CA030","2008-11-11","2020-06-17","N-{[(2R,3R)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-proline",""],["FY9","(2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one","C26 H32 N2 O5 S","C[S](=O)(=O)C[CH](O)[CH](N)C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc3;CS(=O)(=O)CC(C(C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O","InChI=1S/C26H32N2O5S/c1-34(32,33)18-24(30)25(27)26(31)28-14-12-22(13-15-28)16-21-8-4-19(5-9-21)2-3-20-6-10-23(17-29)11-7-20/h4-11,22,24-25,29-30H,12-18,27H2,1H3/t24-,25+/m0/s1","","2020-07-08","2020-11-27","(2~{R},3~{R})-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one","2020-12-02"],["0HX","pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid","C13 H21 N O6","CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1C(C(C=C(O1)C(=O)O)O)NC(=O)C","InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1","pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid; pentan-3-yl\n2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid; pentan-3-yl\n2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid; pentan-3-yl 2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic\nacid","2012-01-19","2020-07-17","(2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid","2013-02-08"],["0HY","methyl (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate","C11 H13 N5 O4","O=C(OC)CC(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C;COC(=O)C[CH](C)C1=NNC2=C(C(=O)NC(=N2)N)C1=O;CC(CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N","InChI=1S/C11H13N5O4/c1-4(3-5(17)20-2)7-8(18)6-9(16-15-7)13-11(12)14-10(6)19/h4H,3H2,1-2H3,(H4,12,13,14,16,18,19)/t4-/m1/s1","","2012-03-19","2012-03-30","methyl (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate",""],["FYA","ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]","C19 H25 N6 O7 P","O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;N[CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccccc4;c1ccc(cc1)CC(COP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C19H25N6O7P/c20-12(6-11-4-2-1-3-5-11)7-30-33(28,29)31-8-13-15(26)16(27)19(32-13)25-10-24-14-17(21)22-9-23-18(14)25/h1-5,9-10,12-13,15-16,19,26-27H,6-8,20H2,(H,28,29)(H2,21,22,23)/t12-,13+,15+,16+,19+/m0/s1","","1999-07-08","2011-06-04","5'-O-[(R)-{[(2S)-2-amino-3-phenylpropyl]oxy}(hydroxy)phosphoryl]adenosine",""],["0HZ","amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium","C11 H20 N5 O2","O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2;NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O","InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1","CI-4; [cyclo-(l-Arg-d-Pro)]","2008-11-05","2020-06-17","amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium",""],["FYB","~{N}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide","C17 H16 F3 N O4","C1C(F)(CCC(C1)(CNC(C=2Oc3ccc(F)cc3C(C=2)=O)=O)O)F;OC1(CCC(F)(F)CC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2;c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O","InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)","","2018-08-17","2019-03-22","N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide","2019-03-27"],["0I0","2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamide","C37 H31 N3 O7","CN1C(=O)N(CC(=O)NCCOc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC(=O)NCCOc3ccc4ccc5cccc6c5c4c3cc6)C(=O)C7=C(CCCC7=O)O","InChI=1S/C37H31N3O7/c1-20-24(35(44)34-27(41)7-4-8-28(34)42)14-15-26-31(20)36(45)40(37(46)39(26)2)19-30(43)38-17-18-47-29-16-12-23-10-9-21-5-3-6-22-11-13-25(29)33(23)32(21)22/h3,5-6,9-16,41H,4,7-8,17-19H2,1-2H3,(H,38,43)","","2022-01-20","2022-09-16","2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-~{N}-(2-pyren-1-yloxyethyl)ethanamide","2022-09-21"],["FYC","3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide","C18 H16 F N3 O2","CC(=Cc1ccccc1F)C(=O)NCc2ccc3NC(=O)Nc3c2;CC(=Cc1ccccc1F)C(=O)NCc2ccc3c(c2)NC(=O)N3","InChI=1S/C18H16FN3O2/c1-11(8-13-4-2-3-5-14(13)19)17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-9H,10H2,1H3,(H,20,23)(H2,21,22,24)/b11-8+","","2015-08-25","2015-09-04","(E)-3-(2-fluorophenyl)-2-methyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]prop-2-enamide","2015-09-09"],["0I1","(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone","C19 H20 F2 N4 O","FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1c1ccc(F)cc1;FC1CN(C1)C(=O)C2CCN(CC2)c3cncnc3c4ccc(F)cc4;c1cc(ccc1c2c(cncn2)N3CCC(CC3)C(=O)N4CC(C4)F)F","InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2","","2021-06-09","2022-07-22","(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone","2022-07-27"],["FYD","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate","C22 H16 Br2 N2 O6","C(c1ccccc1OC)(Oc3c(CNC(=O)c2ccccc2[N+]([O-])=O)cc(cc3Br)Br)=O;COc1ccccc1C(=O)Oc2c(Br)cc(Br)cc2CNC(=O)c3ccccc3[N+]([O-])=O;COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]","InChI=1S/C22H16Br2N2O6/c1-31-19-9-5-3-7-16(19)22(28)32-20-13(10-14(23)11-17(20)24)12-25-21(27)15-6-2-4-8-18(15)26(29)30/h2-11H,12H2,1H3,(H,25,27)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate","2018-08-08"],["0I2","(4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide","C19 H23 N3 O2 S","NC(=N)c1sc(CNC(=O)[CH]2CCCOCC2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(sc2CNC(=O)C3CCCOCC3)C(=N)N","InChI=1S/C19H23N3O2S/c20-18(21)16-11-15(13-5-2-1-3-6-13)17(25-16)12-22-19(23)14-7-4-9-24-10-8-14/h1-3,5-6,11,14H,4,7-10,12H2,(H3,20,21)(H,22,23)/t14-/m0/s1","","2021-06-07","2022-06-17","(4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide","2022-06-22"],["FYE","6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide","C17 H18 F N O4","OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2;c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O","InChI=1S/C17H18FNO4/c18-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)19-10-17(22)6-2-1-3-7-17/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,21)","","2018-08-17","2019-03-29","6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide","2019-04-03"],["FYF","(1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol","C15 H15 N3 O2","C[CH](O)c1nccn1Cc2cc(on2)c3ccccc3;CC(c1nccn1Cc2cc(on2)c3ccccc3)O","InChI=1S/C15H15N3O2/c1-11(19)15-16-7-8-18(15)10-13-9-14(20-17-13)12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1","","2020-07-08","2020-11-27","(1~{S})-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol","2020-12-02"],["0I3","Andilesin C","C25 H32 O5","CC1(C)OC(=O)C=C[C]2(C)[CH]1CC[C]34C[C]5(C)C[CH]6C(=O)OC[C]36[C](C)(C[CH]24)C5=O;CC1(C2CCC34CC5(CC6C3(COC6=O)C(C5=O)(CC4C2(C=CC(=O)O1)C)C)C)C","InChI=1S/C25H32O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25-/m1/s1","","2021-06-09","2022-04-15","","2022-04-20"],["0I5","N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide","C22 H32 F N3 O4","O=C(NC(C(=O)NC(C(=O)CF)CCc1ccccc1)CC(C)C)N2CCOCC2;CC(C)C[CH](NC(=O)N1CCOCC1)C(=O)N[CH](CCc2ccccc2)C(=O)CF;CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2","InChI=1S/C22H32FN3O4/c1-16(2)14-19(25-22(29)26-10-12-30-13-11-26)21(28)24-18(20(27)15-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1","Morpholino-Leu-homoPhe-FMK","2008-09-14","2024-09-27","N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide",""],["FYG","(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide","C7 H11 N3 O6 S","C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O;NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O)=O;C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N","InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1","Avibactam","2018-04-25","2021-01-15","(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide","2021-01-20"],["FYH","3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide","C19 H19 F3 N2 O3","FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1;c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3","InChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)","","2018-08-17","2018-09-07","3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide","2018-09-12"],["0I6","4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide","C18 H23 N O6 S Se Te","COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)[Te]CC(C[Se]c2ccc(cc2)S(=O)(=O)N)O","InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m1/s1","4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide","2021-06-07","2022-08-22","4-[(2~{R})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide","2022-06-22"],["FYI","N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide","C22 H34 N5 O9 P","O=C(N)C(NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)CC)CC(=O)N;CC[CH](C)[CH](NC(=O)[CH](CC(=O)NC)Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH](CC(N)=O)C(N)=O;CCC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC","InChI=1S/C22H34N5O9P/c1-4-12(2)19(22(32)26-16(20(24)30)11-17(23)28)27-21(31)14(10-18(29)25-3)9-13-5-7-15(8-6-13)36-37(33,34)35/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H2,23,28)(H2,24,30)(H,25,29)(H,26,32)(H,27,31)(H2,33,34,35)/t12-,14-,16-,19-/m0/s1","","2009-09-28","2011-06-04","N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide",""],["0I7","3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione","C41 H41 B F2 N7 O6","CN1C(=O)N(CCn2cc(COc3ccc(cc3)C4c5n(c(C)cc5C)[B](F)(F)n6c(C)cc(C)c46)nn2)C(=O)c7c(C)c(ccc17)C(=O)[CH]8C(=CCCC8=O)O;B1(n2c(cc(c2C(c3n1c(cc3C)C)c4ccc(cc4)OCc5cn(nn5)CCN6C(=O)c7c(c(ccc7N(C6=O)C)C(=O)C8C(=O)CCC=C8O)C)C)C)(F)F","InChI=1S/C41H41BF2N7O6/c1-22-18-24(3)50-37(22)35(38-23(2)19-25(4)51(38)42(50,43)44)27-10-12-29(13-11-27)57-21-28-20-48(46-45-28)16-17-49-40(55)34-26(5)30(14-15-31(34)47(6)41(49)56)39(54)36-32(52)8-7-9-33(36)53/h8,10-15,18-20,35-36,52H,7,9,16-17,21H2,1-6H3/t36-/m0/s1","","2022-01-20","2023-01-20","3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1~{S})-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione","2023-01-25"],["0IC","4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide","C18 H23 N O6 S Se Te","COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)[Te]CC(C[Se]c2ccc(cc2)S(=O)(=O)N)O","InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m0/s1","4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide","2021-06-07","2022-06-17","4-[(2~{S})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide","2022-06-22"],["FYJ","phenyl 1-thio-beta-D-glucopyranosiduronic acid","C12 H14 O6 S","C(C1OC(C(C(C1O)O)O)Sc2ccccc2)(=O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Sc2ccccc2;c1ccc(cc1)SC2C(C(C(C(O2)C(=O)O)O)O)O","InChI=1S/C12H14O6S/c13-7-8(14)10(11(16)17)18-12(9(7)15)19-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1","phenyl 1-thio-beta-D-glucosiduronic acid; phenyl 1-thio-D-glucosiduronic acid; phenyl 1-thio-glucosiduronic acid","2018-04-25","2020-07-17","phenyl 1-thio-beta-D-glucopyranosiduronic acid","2018-10-17"],["FYK","3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid","C13 H12 Cl N O5","OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12;c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O","InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17)","","2017-01-31","2017-04-14","3-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid","2017-04-19"],["0IE","Siphonaxanthin","C40 H56 O4","CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1;CC1=C(C(CC(C1)O)(C)C)CC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)CO","InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1","","2022-01-21","2022-11-18","(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one","2022-11-23"],["0IF","2-amino-6-fluorobenzonitrile","C7 H5 F N2","N#Cc1c(F)cccc1N;Nc1cccc(F)c1C#N;c1cc(c(c(c1)F)C#N)N","InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2","","2021-06-09","2023-05-31","2-amino-6-fluorobenzonitrile","2023-05-31"],["FYL","2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol","C21 H24 N4 O5","C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(OCC(N)(CO)CO)cc3;CC(c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O","InChI=1S/C21H24N4O5/c1-15(28)20-23-8-9-25(20)11-17-10-19(30-24-17)7-4-16-2-5-18(6-3-16)29-14-21(22,12-26)13-27/h2-3,5-6,8-10,15,26-28H,11-14,22H2,1H3/t15-/m0/s1","","2020-07-08","2020-11-27","2-azanyl-2-[[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol","2020-12-02"],["0IG","~{N}-[4-[4-[(azanylidene-$l^{4}-azanylidene)amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide","C18 H16 N9 O3 S","CN1C(=O)N(C)c2ncn(CC(=O)Nc3scc(n3)c4ccc(cc4)N=[N+]=N)c2C1=O;CN1c2c(n(cn2)CC(=O)Nc3nc(cs3)c4ccc(cc4)N=[N+]=N)C(=O)N(C1=O)C","InChI=1S/C18H15N9O3S/c1-25-15-14(16(29)26(2)18(25)30)27(9-20-15)7-13(28)22-17-21-12(8-31-17)10-3-5-11(6-4-10)23-24-19/h3-6,8-9,19H,7H2,1-2H3/p+1","","2021-06-07","2022-06-17","azanylidene-[4-[2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-1,3-thiazol-4-yl]phenyl]imino-azanium","2022-06-22"],["FYM","2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid","C27 H28 N2 O7","O=C(O)c1c(OC)cccc1CN(C)Cc2c(cc3OCOc3c2)C(=O)NCc4ccc(OC)cc4;COc1ccc(CNC(=O)c2cc3OCOc3cc2CN(C)Cc4cccc(OC)c4C(O)=O)cc1;CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3","InChI=1S/C27H28N2O7/c1-29(14-18-5-4-6-22(34-3)25(18)27(31)32)15-19-11-23-24(36-16-35-23)12-21(19)26(30)28-13-17-7-9-20(33-2)10-8-17/h4-12H,13-16H2,1-3H3,(H,28,30)(H,31,32)","","2013-12-22","2014-09-05","2-methoxy-6-{[({6-[(4-methoxybenzyl)carbamoyl]-1,3-benzodioxol-5-yl}methyl)(methyl)amino]methyl}benzoic acid","2014-01-08"],["FYN","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-9,13,15-TRIHYDROXY-10,10-DIMETHYL-13,15-DIOXIDO-4,8-DIOXO-12,14,16-TRIOXA-3,7-DIAZA-13,15-DIPHOSPHAHEPTADEC-1-YL} THIOFORMATE ","C22 H36 N7 O17 P3 S","O=CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC=O)O","InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1","","2007-02-26","2011-06-04","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate (non-preferred name)",""],["0IH","(2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid","C29 H20 Cl2 N6 O3 S","OC(=O)[CH](CN1C(=O)c2cc(ccc2N=C1c3sc(Cl)cc3)c4ccccc4c5[nH]nnn5)Cc6ccc(Cl)cc6;c1ccc(c(c1)c2ccc3c(c2)C(=O)N(C(=N3)c4ccc(s4)Cl)CC(Cc5ccc(cc5)Cl)C(=O)O)c6[nH]nnn6","InChI=1S/C29H20Cl2N6O3S/c30-19-8-5-16(6-9-19)13-18(29(39)40)15-37-27(24-11-12-25(31)41-24)32-23-10-7-17(14-22(23)28(37)38)20-3-1-2-4-21(20)26-33-35-36-34-26/h1-12,14,18H,13,15H2,(H,39,40)(H,33,34,35,36)/t18-/m1/s1","","2022-10-03","2023-08-18","(2~{R})-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid","2023-08-23"],["0IL","(3R)-3-(tetradecanoyloxy)tetradecanoic acid","C28 H54 O4","O=C(O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC;CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(O)=O;CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O","InChI=1S/C28H54O4/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(31)32-26(25-27(29)30)23-21-19-17-15-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m1/s1","","2012-07-10","2024-10-04","(3R)-3-(tetradecanoyloxy)tetradecanoic acid","2024-10-09"],["FYO","4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile","C13 H8 N6 O3","O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC(=O)C=2)CC(=O)N3;O=C1CC(=CC(=O)N1)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N;C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N","InChI=1S/C13H8N6O3/c14-5-8-1-6(2-9(20)15-8)12-17-13(19-18-12)7-3-10(21)16-11(22)4-7/h1-3H,4H2,(H,15,20)(H,16,21,22)(H,17,18,19)","","2010-08-23","2011-06-04","4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile",""],["FYP","ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate","C15 H14 F N3 O3","CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O;CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23;CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F","InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","Flumazenil","2018-04-25","2021-03-01","ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate","2018-06-27"],["0IM","1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid","C11 H7 F3 N2 O2","OC(=O)c1cnn(c2ccccc2)c1C(F)(F)F;c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F","InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)","","2021-06-07","2021-10-29","1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid","2021-11-03"],["0IN","7-(pyridin-3-ylmethyl)quinolin-8-ol","C15 H12 N2 O","Oc1c(ccc2cccnc12)Cc3cccnc3;Oc1c(Cc2cccnc2)ccc3cccnc13;c1cc2ccc(c(c2nc1)O)Cc3cccnc3","InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2","","2009-09-11","2024-09-27","7-(pyridin-3-ylmethyl)quinolin-8-ol",""],["FYQ","N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide","C21 H31 N6 O10 P","CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CC(N)=O)C(N)=O;CNC(=O)CC(Cc1ccc(cc1)OP(=O)(O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N","InChI=1S/C21H31N6O10P/c1-25-18(30)9-12(8-11-2-4-13(5-3-11)37-38(34,35)36)20(32)26-14(6-7-16(22)28)21(33)27-15(19(24)31)10-17(23)29/h2-5,12,14-15H,6-10H2,1H3,(H2,22,28)(H2,23,29)(H2,24,31)(H,25,30)(H,26,32)(H,27,33)(H2,34,35,36)/t12-,14+,15+/m1/s1","","2009-09-28","2011-06-04","[4-[(2R)-2-[[(2S)-5-azanyl-1-[[(2S)-1,4-bis(azanyl)-1,4-dioxo-butan-2-yl]amino]-1,5-dioxo-pentan-2-yl]carbamoyl]-4-(methylamino)-4-oxo-butyl]phenyl] dihydrogen phosphate",""],["FYR","2-oxidanyl-4-phenyl-benzoic acid","C13 H10 O3","OC(=O)c1ccc(cc1O)c2ccccc2;c1ccc(cc1)c2ccc(c(c2)O)C(=O)O","InChI=1S/C13H10O3/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)","","2020-07-08","2020-11-27","2-oxidanyl-4-phenyl-benzoic acid","2020-12-02"],["0IP","Terretonin C","C24 H30 O7","C[CH]1OC(=O)[CH]2[C](C)(C(=C)C[C]3(O)[C]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C]23C)C1=O;CC1C(=O)C2(C(C(=O)O1)C3(C(=O)C(=C4C(C(=O)CCC4(C3(CC2=C)O)C)(C)C)O)C)C","InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m0/s1","","2021-06-09","2022-04-15","(2~{S},4~{a}~{S},4~{b}~{R},10~{a}~{R},10~{b}~{R},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-6,10~{b}-bis(oxidanyl)-4~{a},9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone","2022-04-20"],["0IT","amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium","C20 H31 N6 O5 S","O=C(NC(C=O)CCCNC(=[NH2+])N)CN2C(=O)C(NS(=O)(=O)Cc1ccccc1)CCC2;NC(=[NH2+])NCCC[CH](NC(=O)CN1CCC[CH](N[S](=O)(=O)Cc2ccccc2)C1=O)C=O;c1ccc(cc1)CS(=O)(=O)NC2CCCN(C2=O)CC(=O)NC(CCCNC(=[NH2+])N)C=O","InChI=1S/C20H30N6O5S/c21-20(22)23-10-4-8-16(13-27)24-18(28)12-26-11-5-9-17(19(26)29)25-32(30,31)14-15-6-2-1-3-7-15/h1-3,6-7,13,16-17,25H,4-5,8-12,14H2,(H,24,28)(H4,21,22,23)/p+1/t16-,17-/m0/s1","CVS1578","2008-12-11","2020-06-17","amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium",""],["FYS","4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol","C22 H22 O3","CCC(c1ccc(O)cc1)C(c2ccc(O)cc2)c3ccc(cc3)O;CC[CH](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3;CCC(c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O","InChI=1S/C22H22O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,21-25H,2H2,1H3/t21-/m0/s1","","2018-04-25","2019-04-12","4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol","2019-04-17"],["FYU","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","C5 H4 N2 O3","N1C(NC(C(=C1)C=O)=O)=O;O=CC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)C=O","InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)","5-formyluracil","2015-06-22","2024-09-27","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","2015-10-21"],["0IU","(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d\nimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide","C34 H53 N5 O5 S","O=C(N(C)C)CN(C(=O)CC(C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C)Cc2nc(sc2)N)C(c3ccccc3)C;CC(C)C[CH](O)[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](CC(=O)N(CC(=O)N(C)C)[CH](C)c2ccccc2)Cc3csc(N)n3","InChI=1S/C34H53N5O5S/c1-22(2)16-29(40)32(43)28(17-24-12-8-6-9-13-24)37-33(44)26(18-27-21-45-34(35)36-27)19-30(41)39(20-31(42)38(4)5)23(3)25-14-10-7-11-15-25/h7,10-11,14-15,21-24,26,28-29,32,40,43H,6,8-9,12-13,16-20H2,1-5H3,(H2,35,36)(H,37,44)/t23-,26+,28-,29-,32+/m0/s1","P2-P3 butanediamide renin inhibitor (1)","2008-11-12","2020-06-17","(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide",""],["FYV","3-(pyridin-4-yl)imidazo[1,2-b]pyridazine","C11 H8 N4","c1cc(ccn1)c2n3c(nc2)cccn3;c1cnn2c(c1)ncc2c3ccncc3;c1cc2ncc(n2nc1)c3ccncc3","InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H","","2018-04-26","2018-05-04","3-(pyridin-4-yl)imidazo[1,2-b]pyridazine","2018-05-09"],["0IV","2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide","C23 H34 N6 O5 S","O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3;NC(=N)N1CCC[CH](C[CH](NC(=O)CN2CCC[CH](N[S](=O)(=O)Cc3ccccc3)C2=O)C=O)C1;c1ccc(cc1)CS(=O)(=O)NC2CCCN(C2=O)CC(=O)NC(CC3CCCN(C3)C(=N)N)C=O","InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1","CVS1694","2008-11-06","2021-03-01","2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide",""],["0IW","Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide","C32 H40 N4 O4 S","O=C(N1CCN(C)CC1)NC(C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c3ccccc3)Cc4ccccc4;CN1CCN(CC1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCc3ccccc3)CC[S](=O)(=O)c4ccccc4;CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4","InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1","APC-3316, bound form; 4-Methylpiperazine-1-carboxylic acid\n[1-[(3-benzenesulfonyl-1-phenethylallyl)carbamoyl]-2-phenylethyl]amide, bound form","2008-09-14","2024-09-27","Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide",""],["FYW","6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide","C21 H18 F3 N5 O3","O[CH]1CCN(C1)c2ncc(cc2c3cncnc3)C(=O)Nc4ccc(OC(F)(F)F)cc4;c1cc(ccc1NC(=O)c2cc(c(nc2)N3CCC(C3)O)c4cncnc4)OC(F)(F)F","InChI=1S/C21H18F3N5O3/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1","","2018-08-17","2018-10-19","6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide","2018-10-24"],["0IZ","3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron","C13 H27 B N3 O6","O=C(NC1CNC(C1CCC[B-](O)(O)O)C(=O)O)C(N)C(C)C;CC(C)[CH](N)C(=O)N[CH]1CN[CH]([CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1C(CNC1C(=O)O)NC(=O)C(C(C)C)N)(O)(O)O","InChI=1S/C13H27BN3O6/c1-7(2)10(15)12(18)17-9-6-16-11(13(19)20)8(9)4-3-5-14(21,22)23/h7-11,16,21-23H,3-6,15H2,1-2H3,(H,17,18)(H,19,20)/q-1/t8-,9+,10+,11+/m1/s1","","2021-06-10","2021-09-24","{3-[(2S,3R,4R)-2-carboxy-4-(L-valylamino)pyrrolidin-3-yl]propyl}(trihydroxido)borate(1-)","2021-09-29"],["FYX","4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE","C13 H8 N6","N#Cc3nccc(c2nc(c1ccncc1)nn2)c3;N#Cc1cc(ccn1)c2n[nH]c(n2)c3ccncc3;c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N","InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)","4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE","2004-01-22","2021-03-13","4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile",""],["0J0","(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane","C22 H28 N5 O2","O=C5N(c1ccccc1C(OCc2nnn(c2)C4CC3CCC([N+]3(C)C)C4)=C5)C;CN1C(=O)C=C(OCc2cn(nn2)C3C[CH]4CC[CH](C3)[N+]4(C)C)c5ccccc15;CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4CC5CCC(C4)[N+]5(C)C","InChI=1S/C22H28N5O2/c1-25-20-7-5-4-6-19(20)21(12-22(25)28)29-14-15-13-26(24-23-15)16-10-17-8-9-18(11-16)27(17,2)3/h4-7,12-13,16-18H,8-11,14H2,1-3H3/q+1/t16-,17-,18+","","2012-01-19","2012-03-16","(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane",""],["FYY","2-aminoethyl (4-bromophenyl)phenylborinate","C14 H15 B Br N O","B(c1ccc(Br)cc1)(c2ccccc2)OCCN;NCCOB(c1ccccc1)c2ccc(Br)cc2;B(c1ccccc1)(c2ccc(cc2)Br)OCCN","InChI=1S/C14H15BBrNO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9H,10-11,17H2","","2018-04-26","2018-07-13","2-aminoethyl (4-bromophenyl)phenylborinate","2018-07-18"],["FYZ","(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol","C21 H22 O6","C(#Cc2ccc(c1ccccc1)cc2)COC3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH](OCC#Cc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)C#CCOC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C21H22O6/c22-13-17-18(23)19(24)20(25)21(27-17)26-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-3,6-11,17-25H,12-13H2/t17-,18-,19+,20+,21+/m1/s1","","2012-06-18","2014-09-05","3-(biphenyl-4-yl)prop-2-yn-1-yl alpha-D-mannopyranoside",""],["0J1","(2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate","C27 H52 O16 P2","CCCCCCCCC(OCC(OC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)OP(O)(O)=O)O)=O;CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCC;CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC","InChI=1S/C27H52O16P2/c1-3-5-7-9-11-13-15-20(28)39-17-19(41-21(29)16-14-12-10-8-6-4-2)18-40-45(37,38)43-27-24(32)22(30)23(31)26(25(27)33)42-44(34,35)36/h19,22-27,30-33H,3-18H2,1-2H3,(H,37,38)(H2,34,35,36)/t19-,22+,23+,24-,25-,26-,27+/m1/s1","","2020-08-07","2020-08-28","(2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate","2020-09-02"],["0J2","(3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid","C10 H11 N5 O4","O=C(O)CC(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C;C[CH](CC(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O;CC(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N","InChI=1S/C10H11N5O4/c1-3(2-4(16)17)6-7(18)5-8(15-14-6)12-10(11)13-9(5)19/h3H,2H2,1H3,(H,16,17)(H4,11,12,13,15,18,19)/t3-/m1/s1","","2012-01-20","2012-03-23","(3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid",""],["FZ0","2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide","C9 H9 F3 N2 O2","NCC(=O)Nc1cccc(OC(F)(F)F)c1;c1cc(cc(c1)OC(F)(F)F)NC(=O)CN","InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)14-8(15)5-13/h1-4H,5,13H2,(H,14,15)","","2020-07-08","2020-11-27","2-azanyl-~{N}-[3-(trifluoromethyloxy)phenyl]ethanamide","2020-12-02"],["FZ1","4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline","C24 H23 N5 O","n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC3)cccc4)c5ncccc5;COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5;COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5","InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3","","2013-02-11","2013-04-26","4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline","2013-05-01"],["0J3","3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine","C22 H22 F3 N5 O2","[O-][N+](=O)c1cccc(c1)CNc3c2cc(cnc2cc(c3)C(F)(F)F)N4CCN(C)CC4;CN1CCN(CC1)c2cnc3cc(cc(NCc4cccc(c4)[N+]([O-])=O)c3c2)C(F)(F)F;CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2","InChI=1S/C22H22F3N5O2/c1-28-5-7-29(8-6-28)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3","","2012-08-10","2012-09-28","3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine","2012-09-28"],["FZ3","1-[3-(4-chlorophenyl)propyl]imidazole","C12 H13 Cl N2","Clc1ccc(CCCn2ccnc2)cc1;c1cc(ccc1CCCn2ccnc2)Cl","InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2","","2020-07-08","2020-11-27","1-[3-(4-chlorophenyl)propyl]imidazole","2020-12-02"],["0J4","(2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid","C9 H9 N5 O4","O=C(O)C(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C;C[CH](C(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O;CC(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O","InChI=1S/C9H9N5O4/c1-2(8(17)18)4-5(15)3-6(14-13-4)11-9(10)12-7(3)16/h2H,1H3,(H,17,18)(H4,10,11,12,14,15,16)/t2-/m1/s1","","2012-01-20","2012-03-30","(2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid",""],["0J5","(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid","C8 H7 N5 O4","O=C(O)CC1=NNC=2N=C(NC(=O)C=2C1=O)N;NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CC(O)=O;C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O","InChI=1S/C8H7N5O4/c9-8-10-6-4(7(17)11-8)5(16)2(12-13-6)1-3(14)15/h1H2,(H,14,15)(H4,9,10,11,13,16,17)","","2012-01-20","2012-03-23","(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid",""],["FZ4","2-aminoethyl diphenylborinate","C14 H16 B N O","B(c1ccccc1)(c2ccccc2)OCCN;NCCOB(c1ccccc1)c2ccccc2;B(c1ccccc1)(c2ccccc2)OCCN","InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2","","2018-04-26","2018-07-13","2-aminoethyl diphenylborinate","2018-07-18"],["FZ5","Scorzodihydrostilbene A","C23 H28 O10","COc1cc(CCc2c(O)ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c2C(C)=O)ccc1O;CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C23H28O10/c1-11(25)19-13(5-3-12-4-6-15(27)17(9-12)31-2)14(26)7-8-16(19)32-23-22(30)21(29)20(28)18(10-24)33-23/h4,6-9,18,20-24,26-30H,3,5,10H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1","","2018-08-19","2019-08-23","1-[6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-3-oxidanyl-phenyl]ethanone","2019-08-28"],["0J6","N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide","C15 H11 N7 O","O=C(c2ccc1nncc1c2)Nc3cccc(c3)c4nnnn4;O=C(Nc1cccc(c1)c2[nH]nnn2)c3ccc4n[nH]cc4c3;c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4","InChI=1S/C15H11N7O/c23-15(10-4-5-13-11(6-10)8-16-18-13)17-12-3-1-2-9(7-12)14-19-21-22-20-14/h1-8H,(H,16,18)(H,17,23)(H,19,20,21,22)","","2012-01-20","2012-03-23","N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide",""],["FZ6","(2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide","C10 H11 F3 N2 O3","N[CH](CO)C(=O)Nc1cccc(OC(F)(F)F)c1;c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CO)N","InChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-6(4-7)15-9(17)8(14)5-16/h1-4,8,16H,5,14H2,(H,15,17)/t8-/m1/s1","","2020-07-08","2020-11-27","(2~{R})-2-azanyl-3-oxidanyl-~{N}-[3-(trifluoromethyloxy)phenyl]propanamide","2020-12-02"],["0J7","3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide","C18 H13 N7 O","O=C(c2cccc(c1ncccn1)c2)Nc3cccc(c3)c4nnnn4;O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc(c3)c4ncccn4;c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4","InChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25)","","2012-01-20","2012-03-23","3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide",""],["FZ8","4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine","C17 H17 N7","n1c(c2c(nc1)nnc2)N5CCC(c4nc3ccccc3n4)CC5;C1CN(CCC1c2[nH]c3ccccc3n2)c4ncnc5[nH]ncc45;c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4","InChI=1S/C17H17N7/c1-2-4-14-13(3-1)21-15(22-14)11-5-7-24(8-6-11)17-12-9-20-23-16(12)18-10-19-17/h1-4,9-11H,5-8H2,(H,21,22)(H,18,19,20,23)","","2013-07-30","2014-08-01","4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine","2014-08-06"],["0J8","N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine","C23 H21 F3 N8 O2","[O-][N+](=O)c1cccc(c1)CNc4nc(nc5ncc(c2cn(nc2)C3CCNCC3)cc45)C(F)(F)F;[O-][N+](=O)c1cccc(CNc2nc(nc3ncc(cc23)c4cnn(c4)C5CCNCC5)C(F)(F)F)c1;c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5","InChI=1S/C23H21F3N8O2/c24-23(25,26)22-31-20(28-10-14-2-1-3-18(8-14)34(35)36)19-9-15(11-29-21(19)32-22)16-12-30-33(13-16)17-4-6-27-7-5-17/h1-3,8-9,11-13,17,27H,4-7,10H2,(H,28,29,31,32)","","2012-08-10","2012-09-28","N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine","2012-09-28"],["0J9","1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C19 H19 N5","n1c(c2c(nc1)n(nc2c4c3ccccc3ccc4)C(C)(C)C)N;CC(C)(C)n1nc(c2cccc3ccccc23)c4c(N)ncnc14;CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N","InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)","","2012-08-13","2012-08-31","1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2012-08-31"],["FZ9","4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine","C18 H16 N6","n1c(c2c(nc1)nnc2)N5CC=C(c4c3ccccc3nc4)CC5;C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4","InChI=1S/C18H16N6/c1-2-4-16-13(3-1)14(9-19-16)12-5-7-24(8-6-12)18-15-10-22-23-17(15)20-11-21-18/h1-5,9-11,19H,6-8H2,(H,20,21,22,23)","","2013-07-30","2014-08-01","4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine","2014-08-06"],["0JA","2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide","C27 H19 Cl F N5 O3 S","N#CC6(c1cccc(c1Cl)C(=O)Nc5c(F)ccc(Oc2nc3sc(nc3cc2)NC(=O)C4CC4)c5)CC6;Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)cc1NC(=O)c5cccc(c5Cl)C6(CC6)C#N;c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6","InChI=1S/C27H19ClFN5O3S/c28-22-16(2-1-3-17(22)27(13-30)10-11-27)24(36)31-20-12-15(6-7-18(20)29)37-21-9-8-19-25(33-21)38-26(32-19)34-23(35)14-4-5-14/h1-3,6-9,12,14H,4-5,10-11H2,(H,31,36)(H,32,34,35)","","2012-01-20","2012-04-06","2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide",""],["FZA","(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one","C21 H21 N3 O3","c1ccc5c(c1OC)C(N4C(c2c(c3c(n2)cccc3OC)CC4)N5C)=O;COc1cccc2[nH]c3[CH]4N(C)c5cccc(OC)c5C(=O)N4CCc3c12;CN1c2cccc(c2C(=O)N3C1c4c(c5c([nH]4)cccc5OC)CC3)OC","InChI=1S/C21H21N3O3/c1-23-14-7-5-9-16(27-3)18(14)21(25)24-11-10-12-17-13(22-19(12)20(23)24)6-4-8-15(17)26-2/h4-9,20,22H,10-11H2,1-3H3/t20-/m0/s1","","2018-04-27","2021-01-15","(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one","2021-01-20"],["FZB","3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one","C17 H22 N4 O","CN1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O)Nc34;CC1=Cc2ccnc(c2NC1=O)NC3CC4CCC(C3)N4C","InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12-,13-,14+","","2018-08-19","2018-09-21","3-methyl-8-[[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1~{H}-1,7-naphthyridin-2-one","2018-09-26"],["0JB","N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide","C15 H11 N7 O","O=C(c2cccc1ncnc12)Nc3cccc(c3)c4nnnn4;O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc4nc[nH]c34;c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4","InChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22)","","2012-01-20","2012-03-23","N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide",""],["0JC","Di-mu-iodobis(ethylenediamine)diplatinum(II)","C4 H16 I2 N4 Pt2","[Pt+]12(NCCN1)I[Pt+]3(I2)NCCN3;[Pt+]|1|2(|NCCN|1)|I[Pt+]|3(|NCCN|3)I|2;C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3","InChI=1S/2C2H8N2.2HI.2Pt/c2*3-1-2-4;;;;/h2*1-4H2;2*1H;;/q;;;;2*+1","","2012-01-22","2015-02-26","6$l^{2},12$l^{2}-diioda-1$l^{4},4$l^{4},8$l^{4},11$l^{4}-tetraza-5$l^{4},7$l^{4}-diplatinadispiro[4.1.4^{7}.1^{5}]dodecane","2012-11-30"],["FZC","(1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine","C25 H26 Cl N5 O2","Cc1ccnc(Oc2ccc(c(Cl)c2)c3cc4[nH]nc(C)c4c(O[CH]5CCC[CH](N)C5)c3)n1;Cc1ccnc(n1)Oc2ccc(c(c2)Cl)c3cc4c(c(n[nH]4)C)c(c3)OC5CCCC(C5)N","InChI=1S/C25H26ClN5O2/c1-14-8-9-28-25(29-14)33-19-6-7-20(21(26)13-19)16-10-22-24(15(2)30-31-22)23(11-16)32-18-5-3-4-17(27)12-18/h6-11,13,17-18H,3-5,12,27H2,1-2H3,(H,30,31)/t17-,18+/m1/s1","","2022-04-30","2023-02-24","(1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine","2023-03-01"],["0JD","(2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid","C9 H8 O4","O=C(O)C1Oc2ccccc2OC1;OC(=O)[CH]1COc2ccccc2O1;c1ccc2c(c1)OCC(O2)C(=O)O","InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m0/s1","","2012-01-23","2013-03-01","(2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid","2013-03-06"],["FZE","8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one","C30 H37 F2 N5 O","Cc1cncc(c1)c2cnc(N[CH]3C[CH]4CC[CH](N4)[CH]3CCC5CCC(F)(F)CC5)c6NC(=O)C(=Cc26)C;Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)NC4CC5CCC(C4CCC6CCC(CC6)(F)F)N5","InChI=1S/C30H37F2N5O/c1-17-11-20(15-33-14-17)24-16-34-28(27-23(24)12-18(2)29(38)37-27)36-26-13-21-4-6-25(35-21)22(26)5-3-19-7-9-30(31,32)10-8-19/h11-12,14-16,19,21-22,25-26,35H,3-10,13H2,1-2H3,(H,34,36)(H,37,38)/t21-,22-,25+,26-/m1/s1","","2018-08-20","2018-09-21","8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-1,7-naphthyridin-2-one","2018-09-26"],["0JE","3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea","C17 H21 F N6 O2","O=C(Nc3c(c2nc1cc(OCC)c(F)cc1n2)nnc3)N(CC)CC;CCOc1cc2nc([nH]c2cc1F)c3[nH]ncc3NC(=O)N(CC)CC;CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F","InChI=1S/C17H21FN6O2/c1-4-24(5-2)17(25)22-13-9-19-23-15(13)16-20-11-7-10(18)14(26-6-3)8-12(11)21-16/h7-9H,4-6H2,1-3H3,(H,19,23)(H,20,21)(H,22,25)","","2012-01-23","2012-04-27","3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea",""],["FZF","4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C25 H29 N7 O3","COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)C(=O)N5CCOCC5;COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5","InChI=1S/C25H29N7O3/c1-34-20-13-16(24(33)32-9-11-35-12-10-32)7-8-19(20)29-25-30-22-21(17(14-26)15-27-22)23(31-25)28-18-5-3-2-4-6-18/h7-8,13,15,18H,2-6,9-12H2,1H3,(H3,27,28,29,30,31)","","2020-07-10","2021-05-07","4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-05-12"],["FZH","8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one","C30 H38 N4 O3 S","Cc1cncc(c1)c2ccc(N[CH]3C[CH]4CC[CH](N4)[CH]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)C(=Cc26)C;Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)NC4CC5CCC(C4CCC6CCS(=O)(=O)CC6)N5","InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1","","2018-08-20","2018-09-21","8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one","2018-09-26"],["0JF","(3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide","C27 H33 N5 O4","O=C(NCc1ccc(cc1)C)C4CCCN(c2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3)C4;COc1cc(Nc2nccc(n2)N3CCC[CH](C3)C(=O)NCc4ccc(C)cc4)cc(OC)c1OC;Cc1ccc(cc1)CNC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC","InChI=1S/C27H33N5O4/c1-18-7-9-19(10-8-18)16-29-26(33)20-6-5-13-32(17-20)24-11-12-28-27(31-24)30-21-14-22(34-2)25(36-4)23(15-21)35-3/h7-12,14-15,20H,5-6,13,16-17H2,1-4H3,(H,29,33)(H,28,30,31)/t20-/m0/s1","","2012-01-23","2012-02-03","(3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide",""],["FZI","(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid","C23 H38 N4 O10 S","CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OCC1CN(C1)C(=O)OC(C)(C)C)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C","InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1","","2021-12-15","2024-09-27","(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid","2021-12-22"],["0JG","methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate","C21 H21 N5 O3","O=C(OC)C(C#N)Cc2c(c1c(ncnc1n2/C=C/CO)N)c3ccc(cc3)C;COC(=O)[CH](Cc1n(C=CCO)c2ncnc(N)c2c1c3ccc(C)cc3)C#N;Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)C=CCO)CC(C#N)C(=O)OC","InChI=1S/C21H21N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h3-8,12,15,27H,9-10H2,1-2H3,(H2,23,24,25)/b8-3+/t15-/m0/s1","(E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate","2012-01-23","2021-03-13","methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate",""],["0JH","tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate","C24 H29 N5 O3","O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C;Cc1ccc(cc1)c2c(C[CH](C#N)C(=O)OC(C)(C)C)n(CCCO)c3ncnc(N)c23;Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)CC(C#N)C(=O)OC(C)(C)C","InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1","(E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form","2012-01-23","2024-09-27","tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate",""],["FZJ","3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione","C13 H13 N5 O2","c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C;CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12;CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C","InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16)","","2018-04-30","2018-05-04","3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione","2018-05-09"],["0JI","5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid","C10 H9 N3 O2","Cc1n(nnc1C(O)=O)c2ccccc2;Cc1c(nnn1c2ccccc2)C(=O)O","InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)","","2021-06-10","2021-10-29","5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid","2021-11-03"],["FZK","5'-O-(N-(L-seryl)-Sulfamoyl)uridine","C12 H18 N4 O10 S","N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO)N)O)O","InChI=1S/C12H18N4O10S/c13-5(3-17)10(21)15-27(23,24)25-4-6-8(19)9(20)11(26-6)16-2-1-7(18)14-12(16)22/h1-2,5-6,8-9,11,17,19-20H,3-4,13H2,(H,15,21)(H,14,18,22)/t5-,6+,8+,9+,11+/m0/s1","","2018-08-20","2019-11-29","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","2019-12-04"],["FZL","4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C24 H27 N7 O2","COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)N5CCCC5=O;COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O","InChI=1S/C24H27N7O2/c1-33-19-12-17(31-11-5-8-20(31)32)9-10-18(19)28-24-29-22-21(15(13-25)14-26-22)23(30-24)27-16-6-3-2-4-7-16/h9-10,12,14,16H,2-8,11H2,1H3,(H3,26,27,28,29,30)","","2020-07-10","2021-05-07","4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-05-12"],["0JJ","7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine","C19 H16 N8 O S","n4n1c(nnc1CNc2c3ncc(OC)cc3ncc2)ccc4c5snc(c5)C;COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1;Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC","InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)","","2012-01-23","2012-05-25","7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine",""],["0JK","5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one","C21 H17 N5 O","O=C4c1c(nnn1Cc3cc2cccnc2cc3)CCN4c5ccccc5;O=C1N(CCc2nnn(Cc3ccc4ncccc4c3)c12)c5ccccc5;c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O","InChI=1S/C21H17N5O/c27-21-20-19(10-12-25(21)17-6-2-1-3-7-17)23-24-26(20)14-15-8-9-18-16(13-15)5-4-11-22-18/h1-9,11,13H,10,12,14H2","","2012-01-23","2012-05-25","5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one",""],["FZM","2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole","C12 H12 N2","c1cccc(c1)c2nc3n(c2)CCC3;C1Cn2cc(nc2C1)c3ccccc3;c1ccc(cc1)c2cn3c(n2)CCC3","InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2","","2018-05-01","2018-08-31","2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole","2018-09-05"],["0JL","3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one","C23 H22 N6 O3 S","O=C4c1c(nnn1C(c3cc2cc(OCCOC)cnc2cc3)C)C=CN4c5snc(c5)C;COCCOc1cnc2ccc(cc2c1)[CH](C)n3nnc4C=CN(C(=O)c34)c5snc(C)c5;Cc1cc(sn1)N2C=Cc3c(n(nn3)C(C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O","InChI=1S/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m0/s1","","2012-01-23","2012-05-25","3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one",""],["FZN","(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid","C23 H37 N7 O15 P2 S","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(SC(=N/CCCCC(C(=O)O)N)C)C(O)C4O;CC(S[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O)=NCCCC[CH](N)C(O)=O;CC(=NCCCCC(C(=O)O)N)SC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O","InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1","","2008-06-18","2024-09-27","(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid (non-preferred name)",""],["FZO","2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C23 H25 N7 O3","COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCOCC4)n2)N5CCCC5=O;COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O","InChI=1S/C23H25N7O3/c1-32-18-11-16(30-8-2-3-19(30)31)4-5-17(18)27-23-28-21-20(14(12-24)13-25-21)22(29-23)26-15-6-9-33-10-7-15/h4-5,11,13,15H,2-3,6-10H2,1H3,(H3,25,26,27,28,29)","","2020-07-10","2021-05-07","2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-05-12"],["0JM","(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo\nxylic acid","C17 H20 N2 O6 S","O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C;CC1(C)S[CH]2[CH](NC(=O)[CH](C(O)=O)c3ccccc3)[CH](O)N2[CH]1C(O)=O;CC1(C(N2C(C(C2S1)NC(=O)C(c3ccccc3)C(=O)O)O)C(=O)O)C","InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1","Carbenicillin","2012-08-13","2020-06-17","(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","2012-12-14"],["0JN","1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C20 H21 N5","n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)(C)C)N;CC(C)(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14;CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N","InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)","","2012-08-13","2012-08-31","1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2012-08-31"],["FZP","(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate","C25 H24 F N7 O3","c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)cc2)c3cccc(c3)NC(CC)=O)ccn4;CCC(=O)Nc1cccc(c1)N(C(=O)OCc2ccc(F)cc2)c3ccnc(Nc4ccn(C)n4)n3;CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F","InChI=1S/C25H24FN7O3/c1-3-23(34)28-19-5-4-6-20(15-19)33(25(35)36-16-17-7-9-18(26)10-8-17)22-11-13-27-24(30-22)29-21-12-14-32(2)31-21/h4-15H,3,16H2,1-2H3,(H,28,34)(H,27,29,30,31)","","2018-05-01","2024-09-27","(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate","2018-07-18"],["0JO","2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid","C11 H13 N2 O7 P","O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C)C(=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(C=NC(=C)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(=C)C(=O)O)O","InChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+","","2012-01-24","2024-09-27","2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid",""],["FZQ","5'-O-(N-(L-seryl)-sulfamoyl)cytidine","C12 H19 N5 O9 S","N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO)N)O)O","InChI=1S/C12H19N5O9S/c13-5(3-18)10(21)16-27(23,24)25-4-6-8(19)9(20)11(26-6)17-2-1-7(14)15-12(17)22/h1-2,5-6,8-9,11,18-20H,3-4,13H2,(H,16,21)(H2,14,15,22)/t5-,6+,8+,9+,11+/m0/s1","","2018-08-20","2019-11-29","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","2019-12-04"],["FZR","4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C17 H20 N8","Cn1cc(Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)cn1;Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4","InChI=1S/C17H20N8/c1-25-10-13(9-20-25)22-17-23-15-14(11(7-18)8-19-15)16(24-17)21-12-5-3-2-4-6-12/h8-10,12H,2-6H2,1H3,(H3,19,21,22,23,24)","","2020-07-10","2021-05-07","4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-05-12"],["0JP","8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline","C16 H15 N3 O2 S","n1cn4c(c1c2scnc2)c3cc(OC)c(OC)cc3CC4;COc1cc2CCn3cnc(c4scnc4)c3c2cc1OC;COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4","InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3","","2012-01-25","2012-03-09","8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline",""],["0JQ","2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol","C24 H30 N4 O3","n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C;COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC;Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC","InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3","","2012-01-26","2012-03-16","2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol",""],["FZS","(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H17 N5 O5 S2","OCC(NC(C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=C)/CS2;CON=C(C(=O)N[CH](CO)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(CO)C2N=C(C(=C)CS2)C(=O)O","InChI=1S/C14H17N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h5,7,12,20H,1,3-4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12+/m0/s1","Ceftriaxone open, bound form","2018-05-01","2021-03-13","(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2018-06-27"],["FZT","5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine","C13 H20 N4 O10 S","CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CO)[CH](O)[CH]2O)C1=O;CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO)N)O)O","InChI=1S/C13H20N4O10S/c1-16-8(19)2-3-17(13(16)23)12-10(21)9(20)7(27-12)5-26-28(24,25)15-11(22)6(14)4-18/h2-3,6-7,9-10,12,18,20-21H,4-5,14H2,1H3,(H,15,22)/t6-,7+,9+,10+,12+/m0/s1","","2018-08-20","2019-11-29","[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","2019-12-04"],["0JR","(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide","C15 H23 N3 O4","O=C(NCCC(=O)NCc1cccnc1)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCc1cccnc1;CC(C)(CO)C(C(=O)NCCC(=O)NCc1cccnc1)O","InChI=1S/C15H23N3O4/c1-15(2,10-19)13(21)14(22)17-7-5-12(20)18-9-11-4-3-6-16-8-11/h3-4,6,8,13,19,21H,5,7,9-10H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1","","2012-08-15","2013-04-05","(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide","2013-04-10"],["FZU","(2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","C6 H12 O6","OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m0/s1","","2020-07-10","2021-04-16","(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","2021-04-21"],["0JS","8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine","C23 H30 Br N5 O2","CCCCN(CC1CC1)c2nc(C)nc3n2nc(C)c3c4c(OC)cc(Br)cc4OC;CCCCN(CC1CC1)c2nc(nc3n2nc(c3c4c(cc(cc4OC)Br)OC)C)C","InChI=1S/C23H30BrN5O2/c1-6-7-10-28(13-16-8-9-16)23-26-15(3)25-22-20(14(2)27-29(22)23)21-18(30-4)11-17(24)12-19(21)31-5/h11-12,16H,6-10,13H2,1-5H3","","2021-06-10","2023-09-08","8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine","2023-09-13"],["FZV","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C30 H37 N3 O3 S","CC(OC(=O)NC(CSC(C(=O)NCCc1cccnc1)Cc2ccccc2)Cc3ccccc3)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCc3cccnc3","InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1","","2018-05-02","2019-03-29","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2019-04-03"],["0JT","(4R)-4-amino-5-methylhexanoic acid","C7 H15 N O2","O=C(O)CCC(N)C(C)C;CC(C)[CH](N)CCC(O)=O;CC(C)C(CCC(=O)O)N","InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1","","2012-08-16","2024-09-27","(4R)-4-amino-5-methylhexanoic acid","2012-08-24"],["FZW","3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C28 H20 F3 N7 O","Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C28H20F3N7O/c1-17-9-10-18(26(39)34-22-8-2-7-21(14-22)28(29,30)31)13-23(17)35-27-37-24(19-5-3-11-32-15-19)36-25(38-27)20-6-4-12-33-16-20/h2-16H,1H3,(H,34,39)(H,35,36,37,38)","","2018-08-20","2019-08-23","3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2019-08-28"],["0JU","(4S,5Z)-4-amino-5-iminopentanamide","C5 H11 N3 O","O=C(N)CCC(C=[N@H])N;N[CH](CCC(N)=O)C=N;C(CC(=O)N)C(C=N)N","InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1","","2012-01-27","2024-09-27","(4S,5Z)-4-amino-5-iminopentanamide","2012-12-07"],["FZX","1-(phenylmethyl)imidazole-2-carboxylic acid","C11 H10 N2 O2","OC(=O)c1nccn1Cc2ccccc2;c1ccc(cc1)Cn2ccnc2C(=O)O","InChI=1S/C11H10N2O2/c14-11(15)10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)","","2020-07-13","2021-07-09","1-(phenylmethyl)imidazole-2-carboxylic acid","2021-07-14"],["0JV","methyl N-[(3S,3aR,5R,6aR)-5-[[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]carbamate","C31 H43 N3 O9 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2NC(=O)OC)C3)Cc4ccccc4;COC(=O)N[CH]1CO[CH]2C[CH](C[CH]12)OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OCC3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C31H43N3O9S/c1-20(2)17-34(44(38,39)24-12-10-22(40-3)11-13-24)18-28(35)26(14-21-8-6-5-7-9-21)32-31(37)43-23-15-25-27(33-30(36)41-4)19-42-29(25)16-23/h5-13,20,23,25-29,35H,14-19H2,1-4H3,(H,32,37)(H,33,36)/t23-,25-,26+,27-,28-,29-/m1/s1","","2012-01-27","2012-03-16","(3S,3aR,5R,6aR)-3-[(methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate (non-preferred name)",""],["0JW","(2E)-2-[(R)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile","C10 H10 N2 O3","N#C/C(=Cc1cc(O)c(O)cc1)C(O)N;N[CH](O)C(=Cc1ccc(O)c(O)c1)C#N;c1cc(c(cc1C=C(C#N)C(N)O)O)O","InChI=1S/C10H10N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,10,13-15H,12H2/b7-3+/t10-/m1/s1","","2012-01-27","2012-07-27","(2E)-2-[(R)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile",""],["FZZ","1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol","C22 H29 N4 O9 P","O=C1NC(=O)N=C4C1N=C2CC(c3c2c(cc(c3C)C)N4CC(C(C(O)COP(O)(O)=O)O)O)(C)C;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N=C4CC(C)(C)c(c1C)c24)C(=O)NC(=N3)O;Cc1cc2c3c(c1C)C(CC3=NC4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C","InChI=1S/C22H29N4O9P/c1-9-5-12-15-11(6-22(3,4)16(15)10(9)2)23-17-19(24-21(31)25-20(17)30)26(12)7-13(27)18(29)14(28)8-35-36(32,33)34/h5,13-14,18,27-29H,6-8H2,1-4H3,(H2,32,33,34)(H2,24,25,30,31)/t13-,14+,18-/m0/s1","","2015-04-14","2015-06-12","1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol","2015-06-17"],["G00","4-butoxy-3-chlorobenzyl imidothiocarbamate","C12 H17 Cl N2 O S","CCCCOc1ccc(CSC(N)=N)cc1Cl;CCCCOc1ccc(cc1Cl)CSC(=N)N","InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15)","","2009-11-20","2011-06-04","(4-butoxy-3-chloro-phenyl)methyl carbamimidothioate",""],["0JX","(3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate","C4 H10 O8 P2","O=P(O)(O)OP(=O)(OCCC=CO)O;OC=CCCO[P](O)(=O)O[P](O)(O)=O;C(COP(=O)(O)OP(=O)(O)O)C=CO","InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h1,3,5H,2,4H2,(H,9,10)(H2,6,7,8)/b3-1+","","2012-01-27","2012-08-31","(3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate","2012-08-31"],["G01","N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid","C6 H12 N O6 P","O=C(O)CCC(NP(=O)(O)C)C(=O)O;C[P](O)(=O)N[CH](CCC(O)=O)C(O)=O;CP(=O)(NC(CCC(=O)O)C(=O)O)O","InChI=1S/C6H12NO6P/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)/t4-/m1/s1","N-PHOSPHONOMETHYL-D-GLUTAMIC ACID","2009-03-06","2021-03-01","N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid",""],["0JY","4-methyl-L-leucine","C7 H15 N O2","O=C(O)C(N)CC(C)(C)C;CC(C)(C)C[CH](N)C(O)=O;CC(C)(C)CC(C(=O)O)N","InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1","","2012-08-16","2024-09-27","4-methyl-L-leucine","2012-10-26"],["G02","4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C25 H19 F3 N8 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cnccn5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C25H19F3N8O/c1-14-6-7-15(24(37)32-17-5-3-4-16(11-17)25(26,27)28)10-19(14)33-21-18-12-31-36(2)23(18)35-22(34-21)20-13-29-8-9-30-20/h3-13H,1-2H3,(H,32,37)(H,33,34,35)","","2018-08-20","2019-08-23","4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2019-08-28"],["0JZ","(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","C24 H30 N6 O3 Se3","O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C;CC(C)[CH]1NC(=O)c2c[se]c(n2)[CH](NC(=O)c3c[se]c(n3)[CH](NC(=O)c4c[se]c1n4)C(C)C)C(C)C;CC(C)C1c2nc(c[se]2)C(=O)NC(c3nc(c[se]3)C(=O)NC(c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C","InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m1/s1","cyclic-tris-(R)-valineselenazole; QZ59-RRR","2009-02-06","2020-05-26","(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione",""],["0K0","3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide","C18 H24 N6 O3 S","O=S(=O)(Nc1cccc(c1)c3nc(C(=O)NCC2CCNCC2)c(nc3)N)C;C[S](=O)(=O)Nc1cccc(c1)c2cnc(N)c(n2)C(=O)NCC3CCNCC3;CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N","InChI=1S/C18H24N6O3S/c1-28(26,27)24-14-4-2-3-13(9-14)15-11-21-17(19)16(23-15)18(25)22-10-12-5-7-20-8-6-12/h2-4,9,11-12,20,24H,5-8,10H2,1H3,(H2,19,21)(H,22,25)","","2012-01-27","2012-04-20","3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide",""],["G03","methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate","C14 H23 N2 O7 P S","COC(=O)[CH](CCSC)NCc1c(O)c(C)ncc1CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCSC)C(=O)OC)O","InChI=1S/C14H23N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6,12,16-17H,4-5,7-8H2,1-3H3,(H2,19,20,21)/t12-/m0/s1","","2020-07-14","2024-09-27","methyl (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate","2021-01-27"],["G04","(3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C29 H40 N2 O9 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCC(OC)C23)Cc4ccccc4;CO[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-28-27(26)25(37-4)17-38-28/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25-,26-,27-,28+/m0/s1","","2011-01-18","2011-12-16","(3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate",""],["0K1","3-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide","C25 H28 N6 O2","O=C(NC3C2CC1CC3CC(O)(C1)C2)c6nc(c5cc(c4cn(nc4)C)ccc5)cnc6N;Cn1cc(cn1)c2cccc(c2)c3cnc(N)c(n3)C(=O)NC4[CH]5CC6C[CH]4CC(O)(C6)C5;Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4C5CC6CC4CC(C6)(C5)O)N","InChI=1S/C25H28N6O2/c1-31-13-19(11-28-31)15-3-2-4-16(7-15)20-12-27-23(26)22(29-20)24(32)30-21-17-5-14-6-18(21)10-25(33,8-14)9-17/h2-4,7,11-14,17-18,21,33H,5-6,8-10H2,1H3,(H2,26,27)(H,30,32)/t14-,17-,18+,21+,25-","","2012-01-27","2012-04-20","3-amino-N-[(1R,2R,3S,5S,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrazine-2-carboxamide",""],["0K2","4-oxobutyl trihydrogen diphosphate","C4 H10 O8 P2","O=P(O)(O)OP(=O)(OCCCC=O)O;O[P](O)(=O)O[P](O)(=O)OCCCC=O;C(CC=O)COP(=O)(O)OP(=O)(O)O","InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h3H,1-2,4H2,(H,9,10)(H2,6,7,8)","","2012-01-27","2012-08-31","4-oxobutyl trihydrogen diphosphate","2012-08-31"],["G05","(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate","C29 H40 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2CC3OCCOC3C2)Cc4ccccc4;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4OCCO[CH]4C3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H40N2O8S/c1-20(2)18-31(40(34,35)24-11-9-22(36-3)10-12-24)19-26(32)25(15-21-7-5-4-6-8-21)30-29(33)39-23-16-27-28(17-23)38-14-13-37-27/h4-12,20,23,25-28,32H,13-19H2,1-3H3,(H,30,33)/t23-,25-,26+,27+,28-/m0/s1","","2008-07-01","2011-06-04","(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate",""],["0K3","(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate","C40 H67 O4 P","O=P(OCC=C(/CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(/C)C)C)(O)O;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C","InChI=1S/C40H67O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H2,41,42,43)/b34-19-,35-21-,36-23-,37-25-,38-27-,39-29-,40-31-","","2012-01-27","2012-03-30","(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate",""],["G06","methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate","C14 H21 N2 O7 P S","COC(=O)[CH](CCSC)N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCSC)C(=O)OC)O","InChI=1S/C14H21N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6-7,12,17H,4-5,8H2,1-3H3,(H2,19,20,21)/b16-7+/t12-/m0/s1","","2020-07-14","2021-01-22","methyl (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate","2021-01-27"],["0K5","(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C23 H22 N3 O8 P","O=P(O)(O)OCc1cnc(c(O)c1CNC4=Cc3c(ccc(Oc2ccccc2)c3)N(O)C4=O)C;Cc1ncc(CO[P](O)(O)=O)c(CNC2=Cc3cc(Oc4ccccc4)ccc3N(O)C2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O","InChI=1S/C23H22N3O8P/c1-14-22(27)19(16(11-24-14)13-33-35(30,31)32)12-25-20-10-15-9-18(34-17-5-3-2-4-6-17)7-8-21(15)26(29)23(20)28/h2-11,25,27,29H,12-13H2,1H3,(H2,30,31,32)","","2012-08-16","2012-11-02","(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2012-11-02"],["G07","4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid","C28 H36 N2 O9 S","O=C(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)C(O)=O;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O","InChI=1S/C28H36N2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)26(32)33)16-24(31)23(14-19-6-4-3-5-7-19)29-28(34)39-25-17-38-27-22(25)12-13-37-27/h3-11,18,22-25,27,31H,12-17H2,1-2H3,(H,29,34)(H,32,33)/t22-,23-,24+,25-,27+/m0/s1","","2012-12-13","2013-07-19","4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid","2013-07-24"],["0K6","7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C23 H30 N8 O2","O=C(N1CCN(C)CC1)c5cc(Nc3nc2n(c(C(=O)N)cc2cn3)C4CCCC4)cn5C;CN1CCN(CC1)C(=O)c2cc(Nc3ncc4cc(n(C5CCCC5)c4n3)C(N)=O)cn2C;Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N","InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)","","2012-01-30","2012-07-13","7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide",""],["G08","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C28 H37 N3 O8 S","O=C(N)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)C(N)=O;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N","InChI=1S/C28H37N3O8S/c1-18(2)15-31(40(35,36)21-10-8-20(9-11-21)26(29)33)16-24(32)23(14-19-6-4-3-5-7-19)30-28(34)39-25-17-38-27-22(25)12-13-37-27/h3-11,18,22-25,27,32H,12-17H2,1-2H3,(H2,29,33)(H,30,34)/t22-,23-,24+,25-,27+/m0/s1","","2012-12-18","2013-07-19","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2013-07-24"],["G09","2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","C28 H31 N5 O2","CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4CC=C;CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5","InChI=1S/C28H31N5O2/c1-3-15-33-27(34)26-25(13-14-29-26)31-28(33)30-23-16-22(17-32(2)18-23)21-9-11-24(12-10-21)35-19-20-7-5-4-6-8-20/h3-14,22-23,29H,1,15-19H2,2H3,(H,30,31)/t22-,23+/m0/s1","","2020-07-14","2021-04-09","2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","2021-04-14"],["0K7","2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid","C11 H9 N O2 S","O=C(O)c1nc(sc1)c2ccc(cc2)C;Cc1ccc(cc1)c2scc(n2)C(O)=O;Cc1ccc(cc1)c2nc(cs2)C(=O)O","InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)","MO07123","2012-01-30","2021-03-01","2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid","2012-12-07"],["0K8","Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione","C50 H28 N8 O2 Ru","[Ru++].O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccnc6c7ncccc7c5nc34.c8cnc9c(c8)ccc%10cccnc9%10.c%11cnc%12c(c%11)ccc%13cccnc%12%13;c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12","InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;2*1-8H;/q;;;+2","Ruthenium polypridyl complex","2021-06-07","2022-04-01","","2022-04-06"],["G0B","(1S,2R,3S,4R,6S)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-O-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranosyl)-beta-D-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranoside","C29 H64 N18 O13","O(C2C(OC1OC(CNC(=[NH2+])N)C(O)C(O)C1NC(=[NH2+])N)C(NC(=[NH2+])N)CC(NC(=[NH2+])N)C2O)C4OC(C(OC3OC(CNC(=[NH2+])N)C(O)C(O)C3NC(=[NH2+])N)C4O)CO;NC(=[NH2+])NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](C[CH](NC(N)=[NH2+])[CH]3O[CH]4O[CH](CNC(N)=[NH2+])[CH](O)[CH](O)[CH]4NC(N)=[NH2+])NC(N)=[NH2+])[CH](NC(N)=[NH2+])[CH](O)[CH]1O;C1C(C(C(C(C1NC(=[NH2+])N)OC2C(C(C(C(O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N","InChI=1S/C29H58N18O13/c30-24(31)42-2-7-13(50)15(52)10(46-28(38)39)21(55-7)58-18-6(45-27(36)37)1-5(44-26(34)35)12(49)20(18)60-23-17(54)19(9(4-48)57-23)59-22-11(47-29(40)41)16(53)14(51)8(56-22)3-43-25(32)33/h5-23,48-54H,1-4H2,(H4,30,31,42)(H4,32,33,43)(H4,34,35,44)(H4,36,37,45)(H4,38,39,46)(H4,40,41,47)/p+6/t5-,6+,7+,8+,9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22-,23+/m1/s1","","2007-11-13","2011-06-07","(1S,2R,3S,4R,6S)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-O-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranosyl)-beta-D-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranoside",""],["G0C","[6-methyl-4-[(E)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C12 H19 N2 O5 P S","CSCCCN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCSC)O","InChI=1S/C12H19N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6-7,15H,3-5,8H2,1-2H3,(H2,16,17,18)/b13-7+","","2020-07-14","2021-01-22","[6-methyl-4-[(~{E})-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2021-01-27"],["0K9","(2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide","C33 H44 N4 O4 S","O=C(NC(C(O)CNC2c3cc(cnc3OC1(CCC1)C2)CC(C)(C)C)Cc4cccc(c4)c5nccs5)C(OC)C;CO[CH](C)C(=O)N[CH](Cc1cccc(c1)c2sccn2)[CH](O)CN[CH]3CC4(CCC4)Oc5ncc(CC(C)(C)C)cc35;CC(C(=O)NC(Cc1cccc(c1)c2nccs2)C(CNC3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC","InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1","","2012-01-31","2012-10-05","(2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide","2012-10-05"],["0KA","SILVER/IRON/SULFUR CLUSTER","Ag Fe3 S4","S1[Fe]S[Fe]1.S2[Fe]S[Ag]2;[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45","InChI=1S/Ag.3Fe.4S","","2012-01-31","2014-09-05","","2013-01-11"],["G0D","tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C29 H35 N3 O3 S","C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCc3cccnc3","InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26-/m1/s1","","2018-05-02","2019-03-29","tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2019-04-03"],["0KB","[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid","C15 H13 F3 N O5 P","FC(F)(F)c1cc(ccc1)NC(=O)COc2ccccc2P(=O)(O)O;O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(c2)C(F)(F)F;c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O","InChI=1S/C15H13F3NO5P/c16-15(17,18)10-4-3-5-11(8-10)19-14(20)9-24-12-6-1-2-7-13(12)25(21,22)23/h1-8H,9H2,(H,19,20)(H2,21,22,23)","","2012-01-31","2013-07-26","[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid","2013-07-31"],["G0E","4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C25 H19 F3 N8 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cncnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C25H19F3N8O/c1-14-6-7-15(24(37)32-18-5-3-4-17(9-18)25(26,27)28)8-20(14)33-22-19-12-31-36(2)23(19)35-21(34-22)16-10-29-13-30-11-16/h3-13H,1-2H3,(H,32,37)(H,33,34,35)","","2018-08-20","2019-08-23","4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2019-08-28"],["0KC","{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid","C13 H18 N O5 P","O=C(NC1CCCC1)COc2ccccc2P(=O)(O)O;O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCC2;c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O","InChI=1S/C13H18NO5P/c15-13(14-10-5-1-2-6-10)9-19-11-7-3-4-8-12(11)20(16,17)18/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)(H2,16,17,18)","","2012-01-31","2013-07-26","{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid","2013-07-31"],["G0F","[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C12 H21 N2 O5 P S","CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O","InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18)","","2020-07-14","2024-09-27","[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2021-01-27"],["0KD","N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide","C16 H11 N5 O S","O=C(Nc1cccnc1)c2c3nc(nc3ncc2)c4ccsc4;O=C(Nc1cccnc1)c2ccnc3[nH]c(nc23)c4cscc4;c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4","InChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)","","2012-02-01","2012-02-10","N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide",""],["G0G","N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)","C30 H31 N3 O4 S2","O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccccc4)c5ccccc5;O=[S](=O)(N(Cc1ccccc1)[CH]2CNC[CH]2N(Cc3ccccc3)[S](=O)(=O)c4ccccc4)c5ccccc5;c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5","InChI=1S/C30H31N3O4S2/c34-38(35,27-17-9-3-10-18-27)32(23-25-13-5-1-6-14-25)29-21-31-22-30(29)33(24-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2/t29-,30-/m0/s1","","2007-05-08","2011-06-04","N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzylbenzenesulfonamide)",""],["0KE","(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C18 H20 N3 O8 P","O=P(O)(O)OCc1cnc(c(O)c1CNC3=Cc2c(cc(OC)cc2)N(O)C3=O)C;COc1ccc2C=C(NCc3c(O)c(C)ncc3CO[P](O)(O)=O)C(=O)N(O)c2c1;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O","InChI=1S/C18H20N3O8P/c1-10-17(22)14(12(7-19-10)9-29-30(25,26)27)8-20-15-5-11-3-4-13(28-2)6-16(11)21(24)18(15)23/h3-7,20,22,24H,8-9H2,1-2H3,(H2,25,26,27)","","2012-08-16","2012-11-02","(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2012-11-02"],["G0H","4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C28 H20 F3 N5 O","Cc1ccc(cc1Nc2nc(nc3ccccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C28H20F3N5O/c1-17-11-12-18(27(37)33-21-8-4-7-20(15-21)28(29,30)31)14-24(17)35-26-22-9-2-3-10-23(22)34-25(36-26)19-6-5-13-32-16-19/h2-16H,1H3,(H,33,37)(H,34,35,36)","","2018-08-21","2019-08-23","4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2019-08-28"],["G0I","1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone","C17 H24 N4 O S","CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCNCC3)n2;CCc1c(c([nH]c1c2csc(n2)CN3CCNCC3)C)C(=O)C","InChI=1S/C17H24N4OS/c1-4-13-16(12(3)22)11(2)19-17(13)14-10-23-15(20-14)9-21-7-5-18-6-8-21/h10,18-19H,4-9H2,1-3H3","","2022-01-26","2022-09-23","1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone","2022-09-28"],["0KF","N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide","C22 H21 N7 O3","O=C(c1cc(nn1C)C)Nc5cccc(Oc2nn3cc(nc3cc2)NC(=O)C4CC4)c5;Cn1nc(C)cc1C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2;Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5","InChI=1S/C22H21N7O3/c1-13-10-17(28(2)26-13)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)","","2012-02-02","2013-03-01","N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide","2013-03-06"],["0KG","{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid","C14 H20 N O5 P","O=C(NC1CCCCC1)COc2ccccc2P(=O)(O)O;O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCCC2;c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O","InChI=1S/C14H20NO5P/c16-14(15-11-6-2-1-3-7-11)10-20-12-8-4-5-9-13(12)21(17,18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)(H2,17,18,19)","","2012-02-02","2013-07-26","{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid","2013-07-31"],["G0J","Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide","C29 H36 N4 O3","C(=O)(C(Cc1ccccc1)NCC(NC(=O)OC(C)(C)C)Cc2ccccc2)NCc3cccnc3;CC(C)(C)OC(=O)N[CH](CN[CH](Cc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CNC(Cc2ccccc2)C(=O)NCc3cccnc3","InChI=1S/C29H36N4O3/c1-29(2,3)36-28(35)33-25(17-22-11-6-4-7-12-22)21-31-26(18-23-13-8-5-9-14-23)27(34)32-20-24-15-10-16-30-19-24/h4-16,19,25-26,31H,17-18,20-21H2,1-3H3,(H,32,34)(H,33,35)/t25-,26+/m0/s1","","2018-05-02","2019-03-29","Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide","2019-04-03"],["0KH","(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","C14 H12 Cl2 N O5 P","Clc2c(NC(=O)COc1ccccc1P(=O)(O)O)cccc2Cl;O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2Cl;c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O","InChI=1S/C14H12Cl2NO5P/c15-9-4-3-5-10(14(9)16)17-13(18)8-22-11-6-1-2-7-12(11)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21)","","2012-02-02","2013-07-26","(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","2013-07-31"],["G0K","4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C27 H19 F3 N6 O","Cc1ccc(cc1Nc2nc(nc3ncccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C27H19F3N6O/c1-16-9-10-17(26(37)33-20-7-2-6-19(14-20)27(28,29)30)13-22(16)34-25-21-8-4-12-32-24(21)35-23(36-25)18-5-3-11-31-15-18/h2-15H,1H3,(H,33,37)(H,32,34,35,36)","","2018-08-21","2019-08-23","4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2019-08-28"],["0KI","7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid","C14 H14 Cl N O4","CCc1cc(Cl)c2[nH]c(C(O)=O)c(CCC(O)=O)c2c1;CCc1cc2c(c([nH]c2c(c1)Cl)C(=O)O)CCC(=O)O","InChI=1S/C14H14ClNO4/c1-2-7-5-9-8(3-4-11(17)18)13(14(19)20)16-12(9)10(15)6-7/h5-6,16H,2-4H2,1H3,(H,17,18)(H,19,20)","","2021-06-10","2022-05-27","7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1~{H}-indole-2-carboxylic acid","2022-06-01"],["G0M","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C29 H35 N3 O3 S","C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCc3cccnc3","InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m0/s1","","2018-05-02","2019-03-29","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2019-04-03"],["0KJ","[(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C28 H36 N4 O6 S2","O=C1NC(CC1)COC(=O)NC(Cc2ccccc2)C(O)CN(CC(C)CC)S(=O)(=O)c3ccc4ncsc4c3;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)OC[CH]2CCC(=O)N2)[S](=O)(=O)c3ccc4ncsc4c3;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OCC2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4","InChI=1S/C28H36N4O6S2/c1-3-19(2)15-32(40(36,37)22-10-11-23-26(14-22)39-18-29-23)16-25(33)24(13-20-7-5-4-6-8-20)31-28(35)38-17-21-9-12-27(34)30-21/h4-8,10-11,14,18-19,21,24-25,33H,3,9,12-13,15-17H2,1-2H3,(H,30,34)(H,31,35)/t19-,21-,24-,25+/m0/s1","","2012-02-03","2012-07-27","[(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["G0N","3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C28 H20 F3 N7 O","Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C28H20F3N7O/c1-17-5-6-20(26(39)34-22-4-2-3-21(16-22)28(29,30)31)15-23(17)35-27-37-24(18-7-11-32-12-8-18)36-25(38-27)19-9-13-33-14-10-19/h2-16H,1H3,(H,34,39)(H,35,36,37,38)","","2018-08-21","2019-08-23","3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2019-08-28"],["0KK","(2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one","C16 H15 N3 O","O=C2N(C(=[N@H])NC2(c1ccccc1)c3ccccc3)C;CN1C(=N)NC(C1=O)(c2ccccc2)c3ccccc3;CN1C(=O)C(NC1=N)(c2ccccc2)c3ccccc3","InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)","","2012-02-03","2012-03-16","(2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one",""],["G0O","(S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide","C11 H13 N5 O S","C[CH](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2;CC(CS)C(=O)Nc1cccc(c1)c2n[nH]nn2","InChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1","","2020-07-14","2021-07-09","(2~{S})-2-methyl-3-sulfanyl-~{N}-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]propanamide","2021-07-14"],["G0P","N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide","C23 H35 N3 O8","C1CCCN1C(=O)C(CCCCN)NC(=O)c2ccc(cc2)OC3OC(CO)C(C(C3O)O)O;NCCCC[CH](NC(=O)c1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1)C(=O)N3CCCC3;c1cc(ccc1C(=O)NC(CCCCN)C(=O)N2CCCC2)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C23H35N3O8/c24-10-2-1-5-16(22(32)26-11-3-4-12-26)25-21(31)14-6-8-15(9-7-14)33-23-20(30)19(29)18(28)17(13-27)34-23/h6-9,16-20,23,27-30H,1-5,10-13,24H2,(H,25,31)/t16-,17+,18-,19-,20+,23+/m0/s1","","2015-03-20","2015-09-04","N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide","2015-09-09"],["0KL","5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)","C14 H22 N3 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(C#CCCCN)=C1)CC2O;NCCCC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C14H22N3O14P3/c15-5-3-1-2-4-9-7-17(14(20)16-13(9)19)12-6-10(18)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h7,10-12,18H,1,3,5-6,8,15H2,(H,24,25)(H,26,27)(H,16,19,20)(H2,21,22,23)/t10-,11+,12+/m0/s1","","2012-02-03","2012-05-11","5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)",""],["G0Q","~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C25 H20 Cl N7 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(Cl)c4)nc(nc12)c5cccnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl","InChI=1S/C25H20ClN7O/c1-15-8-9-16(25(34)29-19-7-3-6-18(26)12-19)11-21(15)30-23-20-14-28-33(2)24(20)32-22(31-23)17-5-4-10-27-13-17/h3-14H,1-2H3,(H,29,34)(H,30,31,32)","","2018-08-21","2019-08-23","~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2019-08-28"],["0KM","(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one","C23 H21 N3 O2","O=C3N(C(=[N@H])NC3(c2cc(c1cccc(OC)c1)ccc2)c4ccccc4)C;COc1cccc(c1)c2cccc(c2)[C]3(NC(=N)N(C)C3=O)c4ccccc4;CN1C(=O)C(NC1=N)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC","InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1","","2012-02-03","2012-03-16","(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one",""],["G0R","N-(4-carbamimidamidobutyl)ethanamide","C7 H16 N4 O","CC(=O)NCCCCNC(N)=N;CC(=O)NCCCCNC(=N)N","InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)","","2020-07-14","2024-09-27","~{N}-(4-carbamimidamidobutyl)ethanamide","2021-07-21"],["0KN","(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide","C31 H43 N3 O6","O=C(NC(Cc2ccc1OCOc1c2)C(O)CNC4c3c(ncc(c3)CC(C)(C)C)OC5(C4)CCC5)C(OC)C;CO[CH](C)C(=O)N[CH](Cc1ccc2OCOc2c1)[CH](O)CN[CH]3CC4(CCC4)Oc5ncc(CC(C)(C)C)cc35;CC(C(=O)NC(Cc1ccc2c(c1)OCO2)C(CNC3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC","InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1","(2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide","2012-02-03","2021-03-13","(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide",""],["0KO","4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine","C21 H27 N9 O3 S","O=S(=O)(N4CCN(Cc2cc(c1nc(nc(n1)N)C)c(nc2)Nc3ccc(OC)nc3)CC4)C;COc1ccc(Nc2ncc(CN3CCN(CC3)[S](C)(=O)=O)cc2c4nc(C)nc(N)n4)cn1;Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C","InChI=1S/C21H27N9O3S/c1-14-25-20(28-21(22)26-14)17-10-15(13-29-6-8-30(9-7-29)34(3,31)32)11-24-19(17)27-16-4-5-18(33-2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)","","2012-02-06","2012-05-11","4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine",""],["G0S","3-(beta-D-galactopyranosylthio)propanoic acid","C9 H16 O7 S","O=C(O)CCSC1OC(C(O)C(O)C1O)CO;OC[CH]1O[CH](SCCC(O)=O)[CH](O)[CH](O)[CH]1O;C(CSC1C(C(C(C(O1)CO)O)O)O)C(=O)O","InChI=1S/C9H16O7S/c10-3-4-6(13)7(14)8(15)9(16-4)17-2-1-5(11)12/h4,6-10,13-15H,1-3H2,(H,11,12)/t4-,6+,7+,8-,9+/m1/s1","3-(beta-D-galactosylthio)propanoic acid; 3-(D-galactosylthio)propanoic acid; 3-(galactosylthio)propanoic acid","2011-08-23","2020-07-17","3-(beta-D-galactopyranosylthio)propanoic acid",""],["0KP","(2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one","C21 H18 N4 O","O=C3N(C(=[N@H])NC3(c2cc(c1cccnc1)ccc2)c4ccccc4)C;CN1C(=N)N[C](C1=O)(c2ccccc2)c3cccc(c3)c4cccnc4;CN1C(=O)C(NC1=N)(c2ccccc2)c3cccc(c3)c4cccnc4","InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1","","2012-02-06","2012-03-16","(2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one",""],["G0T","(2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C30 H32 N2 O8","O=C(NCc1ccc(OC)cc1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;COc1ccc(CNC(=O)c2ccccc2CN(C)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O)cc1;CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C30H32N2O8/c1-32(16-20-5-3-4-6-24(20)29(35)31-15-19-7-10-22(38-2)11-8-19)17-21-9-13-25-28(27(21)30(36)37)39-18-23(40-25)12-14-26(33)34/h3-11,13,23H,12,14-18H2,1-2H3,(H,31,35)(H,33,34)(H,36,37)/t23-/m0/s1","","2013-11-13","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(4-methoxybenzyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["G0U","4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C24 H27 N7 O2","COc1cc(ccc1Nc2nc(NCC3CCCC3)c4c([nH]cc4C#N)n2)N5CCCC5=O;COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O","InChI=1S/C24H27N7O2/c1-33-19-11-17(31-10-4-7-20(31)32)8-9-18(19)28-24-29-22(26-13-15-5-2-3-6-15)21-16(12-25)14-27-23(21)30-24/h8-9,11,14-15H,2-7,10,13H2,1H3,(H3,26,27,28,29,30)","","2020-07-14","2021-05-07","4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-05-12"],["0KQ","(2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one","C18 H17 Cl N4 O","O=C1N(C(=[N@H])NC1(c3cccc(c2cc(Cl)cnc2)c3)C4CC4)C;CN1C(=N)N[C](C2CC2)(C1=O)c3cccc(c3)c4cncc(Cl)c4;CN1C(=O)C(NC1=N)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4","InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t18-/m1/s1","","2012-02-06","2012-03-16","(2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one",""],["G0V","tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C30 H37 N3 O3 S","CC(OC(NC(Cc1ccccc1)CSC(C(=O)NCCc2cccnc2)Cc3ccccc3)=O)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCc3cccnc3","InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27-/m1/s1","","2018-05-02","2019-03-29","tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2019-04-03"],["0KR","(2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one","C21 H20 N4 O","O=C1N(C(=[N@H])NC1(c3cccc(c2cc(C#CC)cnc2)c3)C4CC4)C;CC#Cc1cncc(c1)c2cccc(c2)[C]3(NC(=N)N(C)C3=O)C4CC4;CC#Cc1cc(cnc1)c2cccc(c2)C3(C(=O)N(C(=N)N3)C)C4CC4","InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)/t21-/m1/s1","","2012-02-06","2012-03-16","(2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one",""],["G0W","1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL","C37 H56 N6 O6","CC[N+](CC)(CCCCCN1C(=CC(=O)N(CCCCC[N+](CC)(CC)Cc2ccccc2[N+]([O-])=O)C1=O)C)Cc3ccccc3[N+]([O-])=O;CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]","InChI=1S/C37H56N6O6/c1-6-42(7-2,29-32-20-12-14-22-34(32)40(46)47)26-18-10-16-24-38-31(5)28-36(44)39(37(38)45)25-17-11-19-27-43(8-3,9-4)30-33-21-13-15-23-35(33)41(48)49/h12-15,20-23,28H,6-11,16-19,24-27,29-30H2,1-5H3/q+2","","2015-10-19","2016-03-11","5-[3-[5-[diethyl-[(2-nitrophenyl)methyl]azaniumyl]pentyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]pentyl-diethyl-[(2-nitrophenyl)methyl]azanium","2016-03-16"],["0KS","N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide","C16 H13 F6 N O3 S","O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C)c2ccccc2;CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c2ccccc2;CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2","InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3","","2012-02-06","2012-03-16","N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide",""],["G0X","3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one","C19 H14 Cl4 N2 O3","OC1=C(C(=O)CCC1)C(=O)c2nc(Cl)c(Cl)c(NCc3ccc(Cl)cc3)c2Cl;c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl","InChI=1S/C19H14Cl4N2O3/c20-10-6-4-9(5-7-10)8-24-16-14(21)17(25-19(23)15(16)22)18(28)13-11(26)2-1-3-12(13)27/h4-7,26H,1-3,8H2,(H,24,25)","","2020-07-15","2021-07-09","3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one","2021-07-14"],["0KT","N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide","C22 H23 F3 N2 O4 S","O=S(=O)(c1ccccc1)N(c2ccc(cc2)C(O)(c3cccn3CCOC)C(F)(F)F)C;COCCn1cccc1[C](O)(c2ccc(cc2)N(C)[S](=O)(=O)c3ccccc3)C(F)(F)F;CN(c1ccc(cc1)C(c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3","InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3/t21-/m0/s1","","2012-02-06","2012-03-16","N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide",""],["G0Y","tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C30 H37 N3 O3 S","C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(=O)NCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCc3cccnc3","InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m1/s1","","2018-05-02","2019-03-29","tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2019-04-03"],["0KU","N-(4-chlorophenyl)-N'-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide","C19 H23 Cl N4 O3 S","O=C(NC(c1nc(c(s1)CO)C)C2NCCCC2)C(=O)Nc3ccc(Cl)cc3;Cc1nc(sc1CO)[CH](NC(=O)C(=O)Nc2ccc(Cl)cc2)[CH]3CCCCN3;Cc1c(sc(n1)C(C2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO","InChI=1S/C19H23ClN4O3S/c1-11-15(10-25)28-19(22-11)16(14-4-2-3-9-21-14)24-18(27)17(26)23-13-7-5-12(20)6-8-13/h5-8,14,16,21,25H,2-4,9-10H2,1H3,(H,23,26)(H,24,27)/t14-,16-/m0/s1","","2012-02-06","2013-03-15","N-(4-chlorophenyl)-N'-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide","2013-03-20"],["G0Z","[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C31 H45 N15 O22 P4 S","CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=NC6C5N=CN=C6N)n7cnc8c(N)ncnc78)[CH](O)[CH]2O)C9=C1C(=O)NC(=N9)N;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OCC7C(C(C(O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O","InChI=1S/C31H45N15O22P4S/c1-43-9-46(26-15(43)27(52)42-31(34)41-26)29-19(50)17(48)11(64-29)3-61-70(55,56)67-72(59,73)68-71(57,58)62-4-12-21(20(51)30(65-12)45-8-40-14-23(33)36-6-38-25(14)45)66-69(53,54)60-2-10-16(47)18(49)28(63-10)44-7-39-13-22(32)35-5-37-24(13)44/h5-8,10-13,16-21,24,28-30,47-51H,2-4,9H2,1H3,(H,53,54)(H,55,56)(H,57,58)(H,59,73)(H2,32,35,37)(H2,33,36,38)(H3,34,41,42,52)/t10-,11-,12-,13?,16-,17-,18-,19-,20-,21-,24?,28-,29-,30-,72-/m1/s1","","2018-08-21","2019-10-17","[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2019-06-19"],["0KV","2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide","C23 H34 N6 O5 S","O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3;NC(=N)N1CCC[CH](C[CH](NC(=O)CN2CCC[CH](N[S](=O)(=O)Cc3ccccc3)C2=O)C=O)C1;c1ccc(cc1)CS(=O)(=O)NC2CCCN(C2=O)CC(=O)NC(CC3CCCN(C3)C(=N)N)C=O","InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19-,20-/m0/s1","CVS1695","2010-06-25","2021-03-01","2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide",""],["0KW","N-(4-chlorophenyl)-N'-{(S)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide","C20 H25 Cl N4 O3 S","O=C(NC(c1nc(c(s1)CCO)C)C2NCCCC2)C(=O)Nc3ccc(Cl)cc3;Cc1nc(sc1CCO)[CH](NC(=O)C(=O)Nc2ccc(Cl)cc2)[CH]3CCCCN3;Cc1c(sc(n1)C(C2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO","InChI=1S/C20H25ClN4O3S/c1-12-16(9-11-26)29-20(23-12)17(15-4-2-3-10-22-15)25-19(28)18(27)24-14-7-5-13(21)6-8-14/h5-8,15,17,22,26H,2-4,9-11H2,1H3,(H,24,27)(H,25,28)/t15-,17-/m0/s1","","2012-02-06","2013-03-15","N-(4-chlorophenyl)-N'-{(S)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide","2013-03-20"],["G10","(3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C27 H35 F2 N3 O7 S","FC3(F)C4C(OC(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)COC4OC3;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC(F)(F)[CH]23)[S](=O)(=O)c4ccc(N)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C27H35F2N3O7S/c1-17(2)13-32(40(35,36)20-10-8-19(30)9-11-20)14-22(33)21(12-18-6-4-3-5-7-18)31-26(34)39-23-15-37-25-24(23)27(28,29)16-38-25/h3-11,17,21-25,33H,12-16,30H2,1-2H3,(H,31,34)/t21-,22+,23-,24-,25-/m0/s1","","2014-08-07","2014-10-31","(3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2014-11-05"],["0KX","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine","C9 H17 N4 O12 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H17N4O12P3/c10-7-1-2-13(9(15)11-7)8-3-5(14)6(24-8)4-23-26(16,17)12-27(18,19)25-28(20,21)22/h1-2,5-6,8,14H,3-4H2,(H2,10,11,15)(H2,20,21,22)(H3,12,16,17,18,19)/t5-,6+,8+/m0/s1","","2012-02-06","2012-05-04","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine",""],["G11","6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide","C21 H23 N3 O2","O=C(NC1CC1)c2cc(c(cc2)C)c3ncc(cc3)C(=O)NCC4CC4;Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4;Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4","InChI=1S/C21H23N3O2/c1-13-2-5-15(21(26)24-17-7-8-17)10-18(13)19-9-6-16(12-22-19)20(25)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,25)(H,24,26)","","2009-08-18","2011-06-04","6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide",""],["G12","3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE","C10 H6 Br2 O3","Brc2c(O)ccc1c2OC(=O)C(Br)=C1C;CC1=C(Br)C(=O)Oc2c(Br)c(O)ccc12;CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br","InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3","3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE","2007-06-28","2021-03-13","3,8-dibromo-7-hydroxy-4-methyl-2H-chromen-2-one",""],["0KY","3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","C10 H14 N4 O2 S","O=C2c1ncnc1N(C(=S)N2)CC(OCC)C;CCO[CH](C)CN1C(=S)NC(=O)c2nc[nH]c12;CCOC(C)CN1c2c(nc[nH]2)C(=O)NC1=S","InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m1/s1","","2012-02-06","2012-03-16","3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",""],["0KZ","[(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen\nphosphate","C12 H17 N2 O7 P","O=P(O)(O)OCC32C(C(N1C=C(C(=O)NC1=O)C)CC2O)C3;CC1=CN([CH]2C[CH](O)[C]3(CO[P](O)(O)=O)C[CH]23)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C3(C2C3)COP(=O)(O)O)O","InChI=1S/C12H17N2O7P/c1-6-4-14(11(17)13-10(6)16)8-2-9(15)12(3-7(8)12)5-21-22(18,19)20/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)(H2,18,19,20)/t7-,8+,9+,12+/m1/s1","2'-exo-methanocarba-thymidine monophosphate; North-methanocarba-thymidine monophosphate","2012-02-07","2020-06-17","[(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate",""],["G13","N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide","C28 H38 N4 O3","CN[CH](C)C(=O)N[CH](C(=O)N1CC[CH]2CC[CH](NC(=O)c3cccc4ccccc34)[CH]12)C(C)(C)C;CC(C(=O)NC(C(=O)N1CCC2C1C(CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC","InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1","","2008-11-12","2012-01-05","",""],["G14","2-phenyl-1H-imidazole-4-carboxylic acid","C10 H8 N2 O2","O=C(O)c2nc(c1ccccc1)nc2;OC(=O)c1c[nH]c(n1)c2ccccc2;c1ccc(cc1)c2[nH]cc(n2)C(=O)O","InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)","","2009-03-27","2011-06-04","2-phenyl-1H-imidazole-4-carboxylic acid",""],["0L0","(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C25 H26 N3 O8 P","O=P(O)(O)OCc1cnc(c(O)c1CNC4=Cc2c(cc(OC)c(c2)Cc3ccccc3)N(O)C4=O)C;COc1cc2N(O)C(=O)C(=Cc2cc1Cc3ccccc3)NCc4c(O)c(C)ncc4CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O","InChI=1S/C25H26N3O8P/c1-15-24(29)20(19(12-26-15)14-36-37(32,33)34)13-27-21-10-17-9-18(8-16-6-4-3-5-7-16)23(35-2)11-22(17)28(31)25(21)30/h3-7,9-12,27,29,31H,8,13-14H2,1-2H3,(H2,32,33,34)","","2012-08-16","2012-11-02","(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2012-11-02"],["G15","5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE","C17 H21 Cl N6 O5 S2","Clc4sc(c1nc(nn1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4;C[CH](N1CC[CH](N[S](=O)(=O)c2n[nH]c(n2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl","InChI=1S/C17H21ClN6O5S2/c1-10(15(25)23-6-8-29-9-7-23)24-5-4-11(16(24)26)22-31(27,28)17-19-14(20-21-17)12-2-3-13(18)30-12/h2-3,10-11,22H,4-9H2,1H3,(H,19,20,21)/t10-,11-/m0/s1","","2006-11-02","2011-06-04","5-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-1,2,4-triazole-3-sulfonamide",""],["0L1","hexanedioic acid","C6 H10 O4","O=C(O)CCCCC(=O)O;OC(=O)CCCCC(O)=O;C(CCC(=O)O)CC(=O)O","InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)","Adipic acid","2012-02-08","2024-09-27","hexanedioic acid",""],["G16","1,6-di-O-phosphono-alpha-D-glucopyranose","C6 H13 O12 P2","O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O;O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1","ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE; 1,6-di-O-phosphono-alpha-D-glucose; 1,6-di-O-phosphono-D-glucose;\n1,6-di-O-phosphono-glucose","1999-08-11","2024-09-27","1-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose",""],["0L3","7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C26 H42 N5 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cc(C#CCCCNC(=O)CCCCCCCCCO)c1c(ncnc12)N)CC3O;Nc1ncnc2n(cc(C#CCCCNC(=O)CCCCCCCCCO)c12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1c(c2c(ncnc2n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO","InChI=1S/C26H42N5O14P3/c27-25-24-19(11-7-6-9-13-28-22(34)12-8-4-2-1-3-5-10-14-32)16-31(26(24)30-18-29-25)23-15-20(33)21(43-23)17-42-47(38,39)45-48(40,41)44-46(35,36)37/h16,18,20-21,23,32-33H,1-6,8-10,12-15,17H2,(H,28,34)(H,38,39)(H,40,41)(H2,27,29,30)(H2,35,36,37)/t20-,21+,23+/m0/s1","","2012-02-08","2012-05-11","7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["G17","N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide","C26 H21 F3 N4 O","FC(F)(F)c1cccc(c1)C(=O)Nc5cc(c4cc2c(nc(nc2)NC3CC3)cc4)c(cc5)C;Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1c3ccc4nc(NC5CC5)ncc4c3;Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C26H21F3N4O/c1-15-5-7-21(31-24(34)17-3-2-4-19(12-17)26(27,28)29)13-22(15)16-6-10-23-18(11-16)14-30-25(33-23)32-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,31,34)(H,30,32,33)","","2012-12-12","2013-07-05","N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide","2013-07-10"],["0L4","5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C16 H24 N5 O12 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cc(C#CCCCN)c1c(ncnc12)N)CC3O;NCCCC#Cc1cn([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)c3ncnc(N)c13;c1c(c2c(ncnc2n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN","InChI=1S/C16H24N5O12P3/c17-5-3-1-2-4-10-7-21(16-14(10)15(18)19-9-20-16)13-6-11(22)12(31-13)8-30-35(26,27)33-36(28,29)32-34(23,24)25/h7,9,11-13,22H,1,3,5-6,8,17H2,(H,26,27)(H,28,29)(H2,18,19,20)(H2,23,24,25)/t11-,12+,13+/m0/s1","","2012-02-08","2012-05-11","5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["G18","4H-thieno[2,3-c]isoquinolin-5-one","C11 H7 N O S","O=C2c3c(c1c(scc1)N2)cccc3;O=C1Nc2sccc2c3ccccc13;c1ccc2c(c1)-c3ccsc3NC2=O","InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)","","2012-05-29","2014-09-05","thieno[2,3-c]isoquinolin-5(4H)-one",""],["0L5","2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)","C24 H40 N3 O16 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(C#CCCCNC(=O)CCCCCCCCCO)=C1)CC2O;OCCCCCCCCCC(=O)NCCCC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C24H40N3O16P3/c28-14-10-5-3-1-2-4-8-12-21(30)25-13-9-6-7-11-18-16-27(24(32)26-23(18)31)22-15-19(29)20(41-22)17-40-45(36,37)43-46(38,39)42-44(33,34)35/h16,19-20,22,28-29H,1-6,8-10,12-15,17H2,(H,25,30)(H,36,37)(H,38,39)(H,26,31,32)(H2,33,34,35)/t19-,20+,22+/m0/s1","","2012-02-08","2012-05-11","2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)",""],["G19","(2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5-DIHYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROP[1]ENOCYCLOPENTA[8]ANNULEN-8-YL [(6-AMINOPYRIDAZIN-3-YL)CARBONYL]CARBAMATE","C26 H34 N4 O6","O=C(c1nnc(N)cc1)NC(=O)OC4CC(C=C)(C)C(O)C(C)C23C=CC(C)C4(C)C3C(=O)C(O)C2;C[CH]1C=C[C]23C[CH](O)C(=O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3C)OC(=O)NC(=O)c4ccc(N)nn4;CC1C=CC23CC(C(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O","InChI=1S/C26H34N4O6/c1-6-24(4)12-17(36-23(35)28-22(34)15-7-8-18(27)30-29-15)25(5)13(2)9-10-26(14(3)21(24)33)11-16(31)19(32)20(25)26/h6-10,13-14,16-17,20-21,31,33H,1,11-12H2,2-5H3,(H2,27,30)(H,28,34,35)/t13-,14+,16+,17-,20+,21+,24-,25+,26+/m1/s1","","2007-01-17","2011-06-04","(2S,3aR,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate",""],["0L6","5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)","C14 H25 N4 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(C#CCCCN)C1)N)CC2O;NCCCC#CC1=C(N)NC(=O)N(C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C14H25N4O13P3/c15-5-3-1-2-4-9-7-18(14(20)17-13(9)16)12-6-10(19)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h10-12,19H,1,3,5-8,15-16H2,(H,17,20)(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11+,12+/m0/s1","","2012-02-08","2012-05-11","5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)",""],["0L7","2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C16 H24 N5 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c1N=C(N)NC(=O)c1c(C#CCCCN)c2)CC3O;NCCCC#Cc1cn([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)c3N=C(N)NC(=O)c13;c1c(c2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN","InChI=1S/C16H24N5O13P3/c17-5-3-1-2-4-9-7-21(14-13(9)15(23)20-16(18)19-14)12-6-10(22)11(32-12)8-31-36(27,28)34-37(29,30)33-35(24,25)26/h7,10-12,22H,1,3,5-6,8,17H2,(H,27,28)(H,29,30)(H2,24,25,26)(H3,18,19,20,23)/t10-,11+,12+/m0/s1","","2012-02-08","2012-05-11","2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["G1C","5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine","C11 H17 Cl N5 O12 P3","O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N","InChI=1S/C11H17ClN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10-/m0/s1","","2009-09-11","2011-06-04","5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine",""],["G1D","Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide","C30 H38 N4 O3","C(=O)(C(NCC(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)NCCc3cccnc3;CC(C)(C)OC(=O)N[CH](CN[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CNC(Cc2ccccc2)C(=O)NCCc3cccnc3","InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)34-26(19-23-11-6-4-7-12-23)22-33-27(20-24-13-8-5-9-14-24)28(35)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27,33H,16,18-20,22H2,1-3H3,(H,32,35)(H,34,36)/t26-,27+/m0/s1","","2018-05-02","2019-03-29","Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide","2019-04-03"],["0L8","2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol","C17 H13 Br O3","Brc1cc(cc(c1c2ccc(O)cc2)c3ccoc3)CO;OCc1cc(Br)c(c2ccc(O)cc2)c(c1)c3cocc3;c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O","InChI=1S/C17H13BrO3/c18-16-8-11(9-19)7-15(13-5-6-21-10-13)17(16)12-1-3-14(20)4-2-12/h1-8,10,19-20H,9H2","","2012-02-10","2012-03-02","2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol",""],["G1E","(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide","C15 H18 N6 O2 S","CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3;CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3cc(cnc3)N","InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m1/s1","","2018-08-21","2018-10-26","(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide","2018-10-31"],["0L9","(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid","C19 H15 Br Cl N O3","O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3;CO[CH](C(O)=O)c1c(C)nc2ccc(Br)cc2c1c3ccc(Cl)cc3;Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)C(C(=O)O)OC","InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1","","2012-02-10","2012-03-16","(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid",""],["0LA","(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid","C15 H12 Cl N O2","O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C;C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1;CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O","InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1","(S)-carprofen","2012-02-13","2020-06-17","(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid","2013-01-18"],["I15","5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile","C16 H9 F N4 O","N#Cc3cc(Oc1c(F)ccc2c1c(nn2)C)cc(C#N)c3;Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12;Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1","InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)","","2008-09-08","2011-06-04","5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile",""],["0LB","(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide","C22 H27 F N4 O2","O=C(N2CCN(c1ccc(F)cc1)CC2)C4CCCCC4C(=O)NC3(C#N)CC3;Fc1ccc(cc1)N2CCN(CC2)C(=O)[CH]3CCCC[CH]3C(=O)NC4(CC4)C#N;c1cc(ccc1N2CCN(CC2)C(=O)C3CCCCC3C(=O)NC4(CC4)C#N)F","InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1","","2012-02-13","2024-09-27","(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide",""],["I16","5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine","C27 H29 N5 O","NCc1ccc(cc1)c2ncc(nc2c4ccc(c3ccoc3)cc4)NCC5CCNCC5;NCc1ccc(cc1)c2ncc(NCC3CCNCC3)nc2c4ccc(cc4)c5cocc5;c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5","InChI=1S/C27H29N5O/c28-15-19-1-3-22(4-2-19)26-27(23-7-5-21(6-8-23)24-11-14-33-18-24)32-25(17-31-26)30-16-20-9-12-29-13-10-20/h1-8,11,14,17-18,20,29H,9-10,12-13,15-16,28H2,(H,30,32)","","2018-10-04","2019-05-10","5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine","2019-05-15"],["I17","2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE","C23 H31 N7","n1c(c3ncn(c3nc1NC2CCC(N)CC2)C4CCCC4)NCc5ccccc5;N[CH]1CC[CH](CC1)Nc2nc(NCc3ccccc3)c4ncn(C5CCCC5)c4n2;c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5","InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-","","2000-11-20","2011-06-04","N~2~-(trans-4-aminocyclohexyl)-N~6~-benzyl-9-cyclopentyl-9H-purine-2,6-diamine",""],["0LC","(1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide","C23 H25 F N4 O2","N#CC5(NC(=O)C4CCCCC4C(=O)N2Cc1c3c(nc1CC2)ccc(F)c3)CC5;Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[CH]4CCCC[CH]4C(=O)NC5(CC5)C#N;c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)C4CCCCC4C(=O)NC5(CC5)C#N","InChI=1S/C23H25FN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1","","2012-02-13","2024-09-27","(1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide",""],["0LD","(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C20 H20 N5 O7 P","O=P(O)(O)OCc1cnc(c(O)c1CNC3=Cc2cn(nc2N(O)C3=O)c4ccccc4)C;Cc1ncc(CO[P](O)(O)=O)c(CNC2=Cc3cn(nc3N(O)C2=O)c4ccccc4)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O","InChI=1S/C20H20N5O7P/c1-12-18(26)16(14(8-21-12)11-32-33(29,30)31)9-22-17-7-13-10-24(15-5-3-2-4-6-15)23-19(13)25(28)20(17)27/h2-8,10,22,26,28H,9,11H2,1H3,(H2,29,30,31)","","2012-08-16","2013-03-15","(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2013-03-20"],["I18","(4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole","C16 H14 Cl2 N2","Clc1ccc(cc1)C3N=C(NC3c2ccc(Cl)cc2)C;CC1=N[CH]([CH](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3;CC1=NC(C(N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl","InChI=1S/C16H14Cl2N2/c1-10-19-15(11-2-6-13(17)7-3-11)16(20-10)12-4-8-14(18)9-5-12/h2-9,15-16H,1H3,(H,19,20)/t15-,16+","","2013-03-08","2013-08-02","(4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole","2013-08-07"],["I19","N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine","C24 H30 F N7 O","O=C(N1CCC(N(C)C)C1)c2ccc(cc2)Nc3ncc(F)c(n3)c4cnc(n4C(C)C)C;CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N4CC[CH](C4)N(C)C)ncc2F;Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CCC(C4)N(C)C)F","InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1","","2008-10-15","2011-06-04","N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine",""],["0LF","(4R)-4-(4-phenylbutoxy)-L-proline","C15 H21 N O3","O=C(O)C2NCC(OCCCCc1ccccc1)C2;OC(=O)[CH]1C[CH](CN1)OCCCCc2ccccc2;c1ccc(cc1)CCCCOC2CC(NC2)C(=O)O","InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1","","2012-02-14","2024-09-27","(4R)-4-(4-phenylbutoxy)-L-proline",""],["I1A","dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate","C23 H29 N O6","COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC;Cc1c(c2ccccc2n1C(=O)OC(C)(C)C)CC(CC=C)(C(=O)OC)C(=O)OC","InChI=1S/C23H29NO6/c1-8-13-23(19(25)28-6,20(26)29-7)14-17-15(2)24(21(27)30-22(3,4)5)18-12-10-9-11-16(17)18/h8-12H,1,13-14H2,2-7H3","","2022-05-30","2022-09-23","dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate","2022-09-28"],["0LG","N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide","C35 H44 N4 O6 S","O=S(=O)(N(c1cc3cc(c1)C(=O)NC(COCC=CCC(c2ccccc2)NC3=O)C(O)CNCc4cccc(c4)C(C)C)C)C;CC(C)c1cccc(CNC[CH](O)[CH]2COCC=CC[CH](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)[S](C)(=O)=O)c4ccccc4)c1;CC(C)c1cccc(c1)CNCC(C2COCC=CCC(NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O","InChI=1S/C35H44N4O6S/c1-24(2)27-14-10-11-25(17-27)21-36-22-33(40)32-23-45-16-9-8-15-31(26-12-6-5-7-13-26)37-34(41)28-18-29(35(42)38-32)20-30(19-28)39(3)46(4,43)44/h5-14,17-20,24,31-33,36,40H,15-16,21-23H2,1-4H3,(H,37,41)(H,38,42)/b9-8+/t31-,32-,33+/m0/s1","","2012-02-14","2012-07-06","N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide",""],["I1B","6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C10 H9 N3 S","Cc1cc(C)c2n3cnnc3sc2c1;Cc1cc(c2c(c1)sc3n2cnn3)C","InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3","5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole","2022-02-08","2023-01-20","6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["0LH","2-(1H-indol-1-yl)ethanamine","C10 H12 N2","c1cccc2c1ccn2CCN;NCCn1ccc2ccccc12;c1ccc2c(c1)ccn2CCN","InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2","","2012-02-16","2012-02-24","2-(1H-indol-1-yl)ethanamine",""],["I1C","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H16 I N3 O5","C(O)(C)C(C2=NC(=[C@H]c1cc(I)c(cc1)O)C(N2CC(O)=O)=O)N;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(I)c2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(c(c2)I)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16IN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1","","2019-04-02","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-04-08"],["0LI","3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam\nide","C29 H27 F3 N6 O","FC(F)(F)c1cc(ccc1CN2CCN(C)CC2)NC(=O)c5cc(C#Cc3cnc4cccnn34)c(cc5)C;CN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F;Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C","InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)","Ponatinib","2009-08-06","2020-06-17","3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide",""],["I1D","(2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile","C15 H12 Cl N O2","Oc1ccc(cc1)[CH](Cc2ccc(O)cc2Cl)C#N;c1cc(ccc1C(Cc2ccc(cc2Cl)O)C#N)O","InChI=1S/C15H12ClNO2/c16-15-8-14(19)6-3-11(15)7-12(9-17)10-1-4-13(18)5-2-10/h1-6,8,12,18-19H,7H2/t12-/m0/s1","","2022-05-30","2022-07-15","(2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile","2022-07-20"],["0LJ","N-[(1R,2R)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide","C18 H17 Cl F N5 O2","Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3NC(=[N@H])N;NC(=N)N[CH]1Cc2ccccc2[CH]1NC(=O)C(=O)Nc3ccc(Cl)c(F)c3;c1ccc2c(c1)CC(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)NC(=N)N","InChI=1S/C18H17ClFN5O2/c19-12-6-5-10(8-13(12)20)23-16(26)17(27)25-15-11-4-2-1-3-9(11)7-14(15)24-18(21)22/h1-6,8,14-15H,7H2,(H,23,26)(H,25,27)(H4,21,22,24)/t14-,15-/m1/s1","","2012-02-17","2012-04-27","N-[(1R,2R)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide",""],["0LK","N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide","C18 H17 Cl F N5 O2","Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3NC(=[N@H])N;NC(=N)N[CH]1Cc2ccccc2[CH]1NC(=O)C(=O)Nc3ccc(Cl)c(F)c3;c1ccc2c(c1)CC(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)NC(=N)N","InChI=1S/C18H17ClFN5O2/c19-12-6-5-10(8-13(12)20)23-16(26)17(27)25-15-11-4-2-1-3-9(11)7-14(15)24-18(21)22/h1-6,8,14-15H,7H2,(H,23,26)(H,25,27)(H4,21,22,24)/t14-,15-/m0/s1","","2012-02-17","2012-04-27","N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide",""],["I1E","1-phenylpropan-1-one","C9 H10 O","O=C(c1ccccc1)CC;CCC(=O)c1ccccc1;CCC(=O)c1ccccc1","InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3","1-phenyl-2-propen-1-one, bound form","2011-07-26","2024-09-27","1-phenylpropan-1-one",""],["0LL","N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide","C17 H15 Cl F N3 O2","Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3N;N[CH]1Cc2ccccc2[CH]1NC(=O)C(=O)Nc3ccc(Cl)c(F)c3;c1ccc2c(c1)CC(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N","InChI=1S/C17H15ClFN3O2/c18-12-6-5-10(8-13(12)19)21-16(23)17(24)22-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15H,7,20H2,(H,21,23)(H,22,24)/t14-,15-/m0/s1","","2012-02-17","2012-04-27","N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide",""],["I1F","{5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid","C25 H25 N7 O6","N=C(N)c1ccc(cc1)C(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1Cc2cn(nc2CC1)CC(=O)O;NC(=N)c1ccc(cc1)C(=O)N[CH](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N3CCc4nn(CC(O)=O)cc4C3;c1cc(ccc1CC(C(=O)N2CCc3c(cn(n3)CC(=O)O)C2)NC(=O)c4ccc(cc4)C(=N)N)[N+](=O)[O-]","InChI=1S/C25H25N7O6/c26-23(27)16-3-5-17(6-4-16)24(35)28-21(11-15-1-7-19(8-2-15)32(37)38)25(36)30-10-9-20-18(12-30)13-31(29-20)14-22(33)34/h1-8,13,21H,9-12,14H2,(H3,26,27)(H,28,35)(H,33,34)/t21-/m0/s1","","2022-01-05","2022-08-12","{5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid","2022-08-17"],["I1G","3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate","C31 H38 Cl2 N7 O4","CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3cnc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5;CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl","InChI=1S/C31H37Cl2N7O4/c1-21(41)34-17-22-2-5-39(6-3-22)20-23-12-28(24-14-25(32)16-26(33)15-24)37-29(13-23)44-27-18-35-31(36-19-27)40-10-8-38(9-11-40)7-4-30(42)43/h12-16,18-19,22H,2-11,17,20H2,1H3,(H,34,41)(H,42,43)/p+1","","2022-02-08","2022-08-22","3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate","2022-04-20"],["0LM","N-(4-chloro-3-fluorophenyl)-N'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide","C18 H25 Cl F N3 O2","Clc1ccc(cc1F)NC(=O)C(=O)NC2CC(N(C)C(C)(C)C2)(C)C;CN1C(C)(C)CC(CC1(C)C)NC(=O)C(=O)Nc2ccc(Cl)c(F)c2;CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C","InChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)","","2012-02-17","2012-04-27","N-(4-chloro-3-fluorophenyl)-N'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide",""],["0LN","13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide","C32 H38 N4 O5 S","O=C2C6=Cc1cc(OC)ccc1c4n(c3cc(C(=O)NS(=O)(=O)N(C)CCCCN2C)ccc3c4C5CCCCC5)C6;COc1ccc2c(C=C3Cn4c5cc(ccc5c(C6CCCCC6)c24)C(=O)N[S](=O)(=O)N(C)CCCCN(C)C3=O)c1;CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C","InChI=1S/C32H38N4O5S/c1-34-15-7-8-16-35(2)42(39,40)33-31(37)22-11-13-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)12-14-26(23)30(36)29(27)21-9-5-4-6-10-21/h11-14,17-19,21H,4-10,15-16,20H2,1-3H3,(H,33,37)","","2012-02-20","2012-04-13","13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide",""],["I1H","3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE","C27 H29 Cl2 N3 O3","Clc1ccc(c(Cl)c1)CCOc2c(OC)ccc(c2)C(=O)NCC4CCN(c3ccncc3)CC4;COc1ccc(cc1OCCc2ccc(Cl)cc2Cl)C(=O)NCC3CCN(CC3)c4ccncc4;COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4","InChI=1S/C27H29Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33)","","2005-03-14","2011-06-04","3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide",""],["I1I","(2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile","C15 H12 Cl N O2","Oc1ccc(cc1)[CH](Cc2ccc(O)cc2Cl)C#N;c1cc(ccc1C(Cc2ccc(cc2Cl)O)C#N)O","InChI=1S/C15H12ClNO2/c16-15-8-14(19)6-3-11(15)7-12(9-17)10-1-4-13(18)5-2-10/h1-6,8,12,18-19H,7H2/t12-/m1/s1","","2022-05-30","2022-07-15","(2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile","2022-07-20"],["0LO","5-phenylpyridine-3-carboxylic acid","C12 H9 N O2","O=C(O)c2cc(c1ccccc1)cnc2;OC(=O)c1cncc(c1)c2ccccc2;c1ccc(cc1)c2cc(cnc2)C(=O)O","InChI=1S/C12H9NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)","","2012-02-20","2012-09-14","5-phenylpyridine-3-carboxylic acid","2012-09-14"],["I1J","1,3-bis(sulfanyl)propan-2-one","C3 H6 O S2","SCC(=O)CS;SCC(=O)CS;C(C(=O)CS)S","InChI=1S/C3H6OS2/c4-3(1-5)2-6/h5-6H,1-2H2","","2022-01-06","2024-09-27","1,3-bis(sulfanyl)propan-2-one","2022-07-27"],["0LP","5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid","C20 H25 N O8","CC(=O)NC1C(O)C(=C(OC1C(O)C(O)CO)C(O)=O)C[C@H]=Cc2ccccc2;CC(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=Cc2ccccc2;CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)CC=Cc2ccccc2)O","InChI=1S/C20H25NO8/c1-11(23)21-15-16(25)13(9-5-8-12-6-3-2-4-7-12)18(20(27)28)29-19(15)17(26)14(24)10-22/h2-8,14-17,19,22,24-26H,9-10H2,1H3,(H,21,23)(H,27,28)/b8-5+/t14-,15-,16+,17+,19-/m1/s1","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid","2012-08-16","2020-07-17","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid","2012-09-21"],["0LQ","(4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione","C32 H29 N3 O2","O=C1C(=O)N(C4CNCC4N1C(c2ccccc2)c3ccccc3)C(c5ccccc5)c6ccccc6;O=C1N([CH]2CNC[CH]2N(C(c3ccccc3)c4ccccc4)C1=O)C(c5ccccc5)c6ccccc6;c1ccc(cc1)C(c2ccccc2)N3C4CNCC4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6","InChI=1S/C32H29N3O2/c36-31-32(37)35(30(25-17-9-3-10-18-25)26-19-11-4-12-20-26)28-22-33-21-27(28)34(31)29(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-30,33H,21-22H2/t27-,28-/m0/s1","","2012-08-16","2013-07-26","(4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione","2013-07-31"],["I1K","5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine","C29 H43 N11 O4","N=C(NC1CCCC1)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCNC(=N)NC4CCCC4)CCNC(=O)NCc5ccccc5)[CH](O)[CH]3O;c1ccc(cc1)CNC(=O)NCCN(CCCNC(=N)NC2CCCC2)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C29H43N11O4/c30-25-22-26(36-17-35-25)40(18-37-22)27-24(42)23(41)21(44-27)16-39(13-6-11-32-28(31)38-20-9-4-5-10-20)14-12-33-29(43)34-15-19-7-2-1-3-8-19/h1-3,7-8,17-18,20-21,23-24,27,41-42H,4-6,9-16H2,(H2,30,35,36)(H3,31,32,38)(H2,33,34,43)/t21-,23-,24-,27-/m1/s1","","2023-05-01","2024-04-19","5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine","2024-04-24"],["I1L","[2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium","C3 H7 N6 O","[NH3+]NC(=O)Cc1n[nH]nn1;C(c1n[nH]nn1)C(=O)N[NH3+]","InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1","","2017-10-27","2019-02-15","[2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium","2019-02-20"],["0LR","(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine","C22 H23 N O","O(Cc2cc1ccccc1cc2)C4C(c3ccccc3)CCNC4;C1C[CH]([CH](CN1)OCc2ccc3ccccc3c2)c4ccccc4;c1ccc(cc1)C2CCNCC2OCc3ccc4ccccc4c3","InChI=1S/C22H23NO/c1-2-7-19(8-3-1)21-12-13-23-15-22(21)24-16-17-10-11-18-6-4-5-9-20(18)14-17/h1-11,14,21-23H,12-13,15-16H2/t21-,22+/m1/s1","","2012-08-16","2013-03-01","(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine","2013-03-06"],["0LS","N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline","C24 H25 Cl N2","Clc1ccc(cc1)N(c2ccccc2)CC3C(CNC3)Cc4ccccc4;Clc1ccc(cc1)N(C[CH]2CNC[CH]2Cc3ccccc3)c4ccccc4;c1ccc(cc1)CC2CNCC2CN(c3ccccc3)c4ccc(cc4)Cl","InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1","","2012-08-16","2013-03-01","N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline","2013-03-06"],["I1M","(2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile","C15 H12 Cl N O2","Oc1ccc(C[CH](C#N)c2ccc(O)cc2Cl)cc1;c1cc(ccc1CC(C#N)c2ccc(cc2Cl)O)O","InChI=1S/C15H12ClNO2/c16-15-8-13(19)5-6-14(15)11(9-17)7-10-1-3-12(18)4-2-10/h1-6,8,11,18-19H,7H2/t11-/m0/s1","","2022-05-30","2022-07-15","(2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile","2022-07-20"],["0LT","N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide","C27 H38 N2 O4","O=C(N(C(C)C)CC1C(CNC1)Cc2ccccc2)c3ccc(OC)c(OCCCOC)c3;COCCCOc1cc(ccc1OC)C(=O)N(C[CH]2CNC[CH]2Cc3ccccc3)C(C)C;CC(C)N(CC1CNCC1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC","InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1","","2012-08-16","2013-03-01","N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide","2013-03-06"],["I1N","(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE","C6 H10 O6","O=C1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)C(=O)[CH](O)[CH]1O;C1(C(C(C(=O)C(C1O)O)O)O)O","InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4-,5-/m0/s1","","2006-10-09","2011-06-04","(2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexanone",""],["I1P","2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-","C21 H24 N8 O2 S","O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34;CN(C)CCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4cccnn34)cc1;CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4","InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27)","N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE","2003-11-11","2020-06-17","N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide",""],["0LU","(2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol","C20 H23 N O S","OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4;O[CH](CC1c2ccccc2Sc3ccccc13)CN4CCCC4;c1ccc2c(c1)C(c3ccccc3S2)CC(CN4CCCC4)O","InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m0/s1","","2012-08-16","2013-02-08","(2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol","2013-02-08"],["I1Q","6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C9 H7 N3 S","Cc1ccc2n3cnnc3sc2c1;Cc1ccc2c(c1)sc3n2cnn3","InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3","7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole","2022-02-08","2023-01-20","6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["0LV","(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol","C11 H14 O2","OCc2cccc1c2OC(C1)(C)C;CC1(C)Cc2cccc(CO)c2O1;CC1(Cc2cccc(c2O1)CO)C","InChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3","","2012-02-21","2012-09-14","(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol","2012-09-14"],["I1R","4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide","C29 H28 Cl F N4 O2","Cc1c(F)cccc1CN2CCC[CH](C2)Cc3onc(n3)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4;Cc1c(cccc1F)CN2CCCC(C2)Cc3nc(no3)c4ccc(cc4)NC(=O)c5ccc(cc5)Cl","InChI=1S/C29H28ClFN4O2/c1-19-23(5-2-6-26(19)31)18-35-15-3-4-20(17-35)16-27-33-28(34-37-27)21-9-13-25(14-10-21)32-29(36)22-7-11-24(30)12-8-22/h2,5-14,20H,3-4,15-18H2,1H3,(H,32,36)/t20-/m0/s1","","2023-07-25","2024-06-14","4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide","2024-06-19"],["0LW","(2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol","C20 H23 N O S","OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4;O[CH](C[CH]1c2ccccc2Sc3ccccc13)CN4CCCC4;c1ccc2c(c1)C(c3ccccc3S2)CC(CN4CCCC4)O","InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m1/s1","","2012-08-16","2013-02-08","(2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol","2013-02-08"],["I1S","[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid","C16 H18 N O5 P","O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2;O[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2;c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(O)O","InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1","","2011-03-08","2024-09-27","[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid","2014-01-22"],["0LX","(2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide","C22 H28 F2 N2 O3","Fc1ccc(cc1)CNCCCCC(C(=O)NO)CC(OC)c2ccc(F)cc2;CO[CH](C[CH](CCCCNCc1ccc(F)cc1)C(=O)NO)c2ccc(F)cc2;COC(CC(CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F","InChI=1S/C22H28F2N2O3/c1-29-21(17-7-11-20(24)12-8-17)14-18(22(27)26-28)4-2-3-13-25-15-16-5-9-19(23)10-6-16/h5-12,18,21,25,28H,2-4,13-15H2,1H3,(H,26,27)/t18-,21+/m0/s1","","2012-02-25","2012-03-09","(2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide",""],["I1T","(1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid","C15 H21 N2 O8 P","O=P(O)(O)OCc1c[nH+]c(C)c([O-])c1C[NH2+]C1CC(CC1C=O)C([O-])=O;Cc1[nH+]cc(CO[P](O)(O)=O)c(C[NH2+][CH]2C[CH](C[CH]2C=O)C([O-])=O)c1[O-];Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+]C2CC(CC2C=O)C(=O)[O-])[O-]","InChI=1S/C15H21N2O8P/c1-8-14(19)12(11(4-16-8)7-25-26(22,23)24)5-17-13-3-9(15(20)21)2-10(13)6-18/h4,6,9-10,13,17,19H,2-3,5,7H2,1H3,(H,20,21)(H2,22,23,24)/t9-,10-,13-/m0/s1","","2022-01-06","2022-04-01","(1S,3R,4S)-3-formyl-4-[({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-1-ium-4-yl}methyl)azaniumyl]cyclopentane-1-carboxylate","2022-04-06"],["0LY","N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide","C17 H24 Br N3 O2","Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C;CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc2ccc(Br)cc2;CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C","InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)","NBD-557","2012-02-27","2020-06-17","N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide","2013-02-22"],["0LZ","N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide","C18 H17 Cl F N3 O2","Clc1ccc(cc1F)NC(=O)C(=O)NCC3c2c(cccc2)CCN3;Fc1cc(NC(=O)C(=O)NC[CH]2NCCc3ccccc23)ccc1Cl;c1ccc2c(c1)CCNC2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl","InChI=1S/C18H17ClFN3O2/c19-14-6-5-12(9-15(14)20)23-18(25)17(24)22-10-16-13-4-2-1-3-11(13)7-8-21-16/h1-6,9,16,21H,7-8,10H2,(H,22,24)(H,23,25)/t16-/m1/s1","","2012-02-27","2013-02-22","N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide","2013-02-22"],["I1V","(2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide","C12 H25 N5 O4","N[CH](CCC[CH](CO)NC(=O)CC[CH](N)C(N)=O)C(N)=O;C(CC(CO)NC(=O)CCC(C(=O)N)N)CC(C(=O)N)N","InChI=1S/C12H25N5O4/c13-8(11(15)20)3-1-2-7(6-18)17-10(19)5-4-9(14)12(16)21/h7-9,18H,1-6,13-14H2,(H2,15,20)(H2,16,21)(H,17,19)/t7-,8+,9+/m0/s1","","2023-07-25","2024-09-27","(2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide","2024-08-07"],["I1W","(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide","C33 H48 N6 O5 S","CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)N(C(=O)N([CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N([CH](C[CH]3CCN(C3=O)[2H])[CH](O)c4sc5ccccc5n4)[2H])C2(C)C)C(C)(C)C)[2H])[2H];CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(c4nc5ccccc5s4)O)C","InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4","","2022-01-06","2024-09-27","(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide","2022-03-02"],["0M1","N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide","C15 H19 Cl F N3 O4","Clc1ccc(cc1F)NC(=O)C(=O)NCC2OC(OC2CN)(C)C;CC1(C)O[CH](CN)[CH](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)O1;CC1(OC(C(O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C","InChI=1S/C15H19ClFN3O4/c1-15(2)23-11(6-18)12(24-15)7-19-13(21)14(22)20-8-3-4-9(16)10(17)5-8/h3-5,11-12H,6-7,18H2,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1","","2012-11-08","2013-02-22","N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide","2013-02-22"],["I1X","4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide","C19 H23 N4 O4","Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCCC[n+]2ccccc2C=NO;Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCCCC[n+]2ccccc2C=NO","InChI=1S/C19H22N4O4/c1-15-8-9-16(13-18(15)23(26)27)19(24)20-10-4-2-5-11-22-12-6-3-7-17(22)14-21-25/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,20,24)/p+1","","2022-02-08","2022-08-22","~{N}-[5-[2-[(~{E})-hydroxyiminomethyl]pyridin-1-ium-1-yl]pentyl]-4-methyl-3-nitro-benzamide","2022-04-27"],["0M2","(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol","C19 H20 N2 O","OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4;C[CH](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24;CC(CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O","InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1","","2012-08-16","2013-02-08","(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol","2013-02-08"],["I1Y","{[(2,4-difluorophenyl)methyl]amino}(oxo)acetic acid","C9 H7 F2 N O3","Fc1cc(F)ccc1CNC(=O)C(=O)O;OC(=O)C(=O)NCc1ccc(F)cc1F;c1cc(c(cc1F)F)CNC(=O)C(=O)O","InChI=1S/C9H7F2NO3/c10-6-2-1-5(7(11)3-6)4-12-8(13)9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)","","2023-07-25","2024-08-09","{[(2,4-difluorophenyl)methyl]amino}(oxo)acetic acid","2024-08-14"],["0M3","(3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide","C27 H31 N3 O3 S","O=S(=O)(NC3CC(C(=O)NCC(c1ccccc1)c2ccccc2)CNC3)c4ccc(cc4)C;Cc1ccc(cc1)[S](=O)(=O)N[CH]2CNC[CH](C2)C(=O)NCC(c3ccccc3)c4ccccc4;Cc1ccc(cc1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC(c3ccccc3)c4ccccc4","InChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1","","2012-08-16","2013-02-08","(3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide","2013-02-08"],["I1Z","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C26 H44 N6 O4","CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=N)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C=N)C","InChI=1S/C26H44N6O4/c1-24(2,3)19(30-23(36)31-25(4,5)6)22(35)32-13-16-17(26(16,7)8)18(32)21(34)29-15(12-27)11-14-9-10-28-20(14)33/h12,14-19,27H,9-11,13H2,1-8H3,(H,28,33)(H,29,34)(H2,30,31,36)/b27-12-/t14-,15-,16-,17-,18-,19+/m0/s1","","2022-01-06","2024-09-27","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-03-02"],["0M4","N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide","C16 H19 Cl F N3 O2","Clc1ccc(cc1F)NC(=O)C(=O)NCC32CCCC3CNC2;Fc1cc(NC(=O)C(=O)NC[C]23CCC[CH]2CNC3)ccc1Cl;c1cc(c(cc1NC(=O)C(=O)NCC23CCCC2CNC3)F)Cl","InChI=1S/C16H19ClFN3O2/c17-12-4-3-11(6-13(12)18)21-15(23)14(22)20-9-16-5-1-2-10(16)7-19-8-16/h3-4,6,10,19H,1-2,5,7-9H2,(H,20,22)(H,21,23)/t10-,16+/m1/s1","","2012-02-27","2013-02-22","N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide","2013-02-22"],["I20","(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid","C25 H36 N5 O7 P","N#CC2N(C(=O)C(N)CCC(=O)NC(C)P(=O)(O)CC(C(=O)NC(C(=O)O)C)Cc1ccccc1)CCC2;C[CH](NC(=O)[CH](Cc1ccccc1)C[P](O)(=O)[CH](C)NC(=O)CC[CH](N)C(=O)N2CCC[CH]2C#N)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccccc1)CP(=O)(C(C)NC(=O)CCC(C(=O)N2CCCC2C#N)N)O","InChI=1S/C25H36N5O7P/c1-16(25(34)35)28-23(32)19(13-18-7-4-3-5-8-18)15-38(36,37)17(2)29-22(31)11-10-21(27)24(33)30-12-6-9-20(30)14-26/h3-5,7-8,16-17,19-21H,6,9-13,15,27H2,1-2H3,(H,28,32)(H,29,31)(H,34,35)(H,36,37)/t16-,17+,19+,20-,21-/m0/s1","","2007-08-15","2011-06-04","(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid (non-preferred name)",""],["0M5","N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide","C16 H19 Cl F N3 O2","Clc1ccc(cc1F)NC(=O)C(=O)NCC3CCN(C2CC2)C3;Fc1cc(NC(=O)C(=O)NC[CH]2CCN(C2)C3CC3)ccc1Cl;c1cc(c(cc1NC(=O)C(=O)NCC2CCN(C2)C3CC3)F)Cl","InChI=1S/C16H19ClFN3O2/c17-13-4-1-11(7-14(13)18)20-16(23)15(22)19-8-10-5-6-21(9-10)12-2-3-12/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,19,22)(H,20,23)/t10-/m1/s1","","2012-02-27","2013-02-22","N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide","2013-02-22"],["0M6","N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide","C17 H27 N3 O3 S","S=C(Nc1ccccc1)NC(C(=O)NC(CCO)CO)CC(C)C;CC(C)C[CH](NC(=S)Nc1ccccc1)C(=O)N[CH](CO)CCO;CC(C)CC(C(=O)NC(CCO)CO)NC(=S)Nc1ccccc1","InChI=1S/C17H27N3O3S/c1-12(2)10-15(16(23)18-14(11-22)8-9-21)20-17(24)19-13-6-4-3-5-7-13/h3-7,12,14-15,21-22H,8-11H2,1-2H3,(H,18,23)(H2,19,20,24)/t14-,15-/m0/s1","SNJ-1715, bound form","2012-02-28","2024-09-27","N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide",""],["I21","2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile","C34 H27 N3 O3","N#Cc5ccccc5c3cc4C(=O)N=C(c1ccccc1)C=Cc2cccc(c2)CC(N)(C(=O)OCc(c3)c4)C;C[C]1(N)Cc2cccc(C=CC(=NC(=O)c3cc(COC1=O)cc(c3)c4ccccc4C#N)c5ccccc5)c2;CC1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N","InChI=1S/C34H27N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-19H,20,22,36H2,1H3/t34-/m1/s1","","2007-08-24","2011-06-04","2-[(5R,12Z,14E)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile",""],["0M7","[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)","C7 H19 N O6 P2","O=P(O)(O)C(CNCCCCC)P(=O)(O)O;CCCCCNCC([P](O)(O)=O)[P](O)(O)=O;CCCCCNCC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)","","2012-02-28","2013-01-11","[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)","2013-01-11"],["I22","D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE","C7 H15 O10 P","O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O;OCC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1","7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE; SEDOHEPTULOSE 7-PHOSPHATE","2006-09-11","2024-09-27","7-O-phosphono-D-altro-hept-2-ulose",""],["0M8","[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)","C9 H23 N O6 P2","O=P(O)(O)C(CNCCCCCCC)P(=O)(O)O;CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O;CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)","","2012-02-28","2013-01-11","[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)","2013-01-11"],["I23","N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide","C22 H34 N2 O3 S","O=S(=O)(c1c(cc(cc1C)C)C)N3CCC(C(=O)NC2CCCCCC2)CC3;Cc1cc(C)c(c(C)c1)[S](=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3;Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C","InChI=1S/C22H34N2O3S/c1-16-14-17(2)21(18(3)15-16)28(26,27)24-12-10-19(11-13-24)22(25)23-20-8-6-4-5-7-9-20/h14-15,19-20H,4-13H2,1-3H3,(H,23,25)","","2012-10-12","2012-12-21","N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide","2012-12-21"],["0M9","[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)","C5 H15 N O6 P2","O=P(O)(O)C(CNCCC)P(=O)(O)O;CCCNCC([P](O)(O)=O)[P](O)(O)=O;CCCNCC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C5H15NO6P2/c1-2-3-6-4-5(13(7,8)9)14(10,11)12/h5-6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)","","2012-02-28","2013-01-11","[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)","2013-01-11"],["I24","2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine","C22 H28 F2 N6 O2","Fc1cccc(F)c1Cn4cnc3c4nc(OCCCC)nc3NCCN2CCOCC2;CCCCOc1nc(NCCN2CCOCC2)c3ncn(Cc4c(F)cccc4F)c3n1;CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4","InChI=1S/C22H28F2N6O2/c1-2-3-11-32-22-27-20(25-7-8-29-9-12-31-13-10-29)19-21(28-22)30(15-26-19)14-16-17(23)5-4-6-18(16)24/h4-6,15H,2-3,7-14H2,1H3,(H,25,27,28)","","2008-06-11","2011-06-04","2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine",""],["0MA","maslinic acid","C30 H46 O4","O=C(O)C54C=CC(C)(C)CC5C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)C)(C)C3(C)CC4;CC1(C)C[CH]2C3=CC[CH]4[C]5(C)C[CH](O)[CH](O)C(C)(C)[CH]5CC[C]4(C)[C]3(C)CC[C]2(C=C1)C(O)=O;CC1(CC2C3=CCC4C(C3(CCC2(C=C1)C(=O)O)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C","InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,12,14,19-23,31-32H,9-11,13,15-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1","(2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid","2007-08-06","2021-03-13","(2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid",""],["I25","(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID","C24 H34 N4 O3","O=C(O)C(c1cc(OCC(C)(C)CN(C)C)cc(c1)CC)Nc2ccc(C(=[N@H])N)cc2;CCc1cc(OCC(C)(C)CN(C)C)cc(c1)[CH](Nc2ccc(cc2)C(N)=N)C(O)=O;[H]N=C(c1ccc(cc1)NC(c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)N","InChI=1S/C24H34N4O3/c1-6-16-11-18(13-20(12-16)31-15-24(2,3)14-28(4)5)21(23(29)30)27-19-9-7-17(8-10-19)22(25)26/h7-13,21,27H,6,14-15H2,1-5H3,(H3,25,26)(H,29,30)/t21-/m1/s1","","2007-06-18","2011-06-04","(2R)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}ethanoic acid",""],["I26","(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID","C24 H33 F N4 O3","O=C(O)C(c1cc(cc(OCC(C)(C)CN(C)C)c1F)CC)Nc2ccc(C(=[N@H])N)cc2;CCc1cc(OCC(C)(C)CN(C)C)c(F)c(c1)[CH](Nc2ccc(cc2)C(N)=N)C(O)=O;[H]N=C(c1ccc(cc1)NC(c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)N","InChI=1S/C24H33FN4O3/c1-6-15-11-18(20(25)19(12-15)32-14-24(2,3)13-29(4)5)21(23(30)31)28-17-9-7-16(8-10-17)22(26)27/h7-12,21,28H,6,13-14H2,1-5H3,(H3,26,27)(H,30,31)/t21-/m1/s1","","2007-06-20","2011-06-04","(2R)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid",""],["0MB","1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE","C13 H16 N4 S","n1c(snc1c2ccccc2)N3CCCNCC3;C1CNCCN(C1)c2snc(n2)c3ccccc3;c1ccc(cc1)c2nc(sn2)N3CCCNCC3","InChI=1S/C13H16N4S/c1-2-5-11(6-3-1)12-15-13(18-16-12)17-9-4-7-14-8-10-17/h1-3,5-6,14H,4,7-10H2","","2012-02-06","2014-09-05","1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane","2012-12-14"],["0MC","{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid","C35 H45 N O10","O=C(C(=O)C1(O)CCCCC1CC)N4C(C(=O)OC(c2cccc(OCC(=O)O)c2)CCc3ccc(OC)c(OC)c3)CCCC4;CC[CH]1CCCC[C]1(O)C(=O)C(=O)N2CCCC[CH]2C(=O)O[CH](CCc3ccc(OC)c(OC)c3)c4cccc(OCC(O)=O)c4;CCC1CCCCC1(C(=O)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O","InChI=1S/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27+,28-,35+/m1/s1","","2012-02-28","2012-05-11","{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid",""],["I27","methyl (Z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","C24 H25 Cl2 N O4","COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2cccc(Cl)c2)Cc3ccc(Cl)cc3;COC(=O)C(=CC(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)O","InChI=1S/C24H25Cl2NO4/c1-31-23(30)21(28)14-22(29)24(15-17-5-7-19(25)8-6-17)9-11-27(12-10-24)16-18-3-2-4-20(26)13-18/h2-8,13-14,28H,9-12,15-16H2,1H3/b21-14-","","2021-06-01","2022-02-11","methyl (~{Z})-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["0MD","{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid","C35 H45 N O10","O=C(C(=O)C1(O)CCCCC1CC)N4C(C(=O)OC(c2cccc(OCC(=O)O)c2)CCc3ccc(OC)c(OC)c3)CCCC4;CC[CH]1CCCC[C]1(O)C(=O)C(=O)N2CCCC[CH]2C(=O)O[CH](CCc3ccc(OC)c(OC)c3)c4cccc(OCC(O)=O)c4;CCC1CCCCC1(C(=O)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O","InChI=1S/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27-,28+,35+/m0/s1","","2012-03-27","2012-05-11","{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid",""],["I28","ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate","C24 H27 N O4","O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN4CCC(C)CC4;CCOC(=O)c1c(oc2ccc(O)c(CN3CCC(C)CC3)c12)c4ccccc4;CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4","InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3","","2014-01-17","2017-06-30","ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate","2017-07-05"],["0ME","(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide","C20 H22 N2 O2","O=C(NCC2c3c(Oc1c2cccc1)cccc3)C4CCCNC4;O=C(NCC1c2ccccc2Oc3ccccc13)[CH]4CCCNC4;c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)C4CCCNC4","InChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1","","2012-08-16","2013-02-08","(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide","2013-02-08"],["I29","[(4S,5R)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone","C27 H34 Cl2 N4 O3 S","O=C(N1CCN(CCCS(=O)(=O)C)CC1)N4C(=NC(c2ccc(Cl)cc2)(C4(c3ccc(Cl)cc3)C)C)C;CC1=N[C](C)(c2ccc(Cl)cc2)[C](C)(N1C(=O)N3CCN(CCC[S](C)(=O)=O)CC3)c4ccc(Cl)cc4;CC1=NC(C(N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl","InChI=1S/C27H34Cl2N4O3S/c1-20-30-26(2,21-6-10-23(28)11-7-21)27(3,22-8-12-24(29)13-9-22)33(20)25(34)32-17-15-31(16-18-32)14-5-19-37(4,35)36/h6-13H,5,14-19H2,1-4H3/t26-,27+/m0/s1","","2013-03-08","2013-08-02","[(4S,5R)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone","2013-08-07"],["0MF","N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide","C27 H24 Cl N5 O7","COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5occc5)c(cc4Cl)[N+]([O-])=O;Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5","InChI=1S/C27H24ClN5O7/c1-16-24(25(30-40-16)17-6-3-4-7-22(17)38-2)27(35)32-11-9-31(10-12-32)20-15-19(21(33(36)37)14-18(20)28)29-26(34)23-8-5-13-39-23/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)","","2012-03-01","2013-03-01","N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide","2013-03-06"],["I2A","Hydroxocobalamin","C62 H88 Co N13 O15 P","C[CH]1CNC(=O)CC[C]2(C)[CH](CC(N)=O)[CH]3[N]4[Co]|5|6(O)(|n7cn([CH]8O[CH](CO)[CH](O[P](O)(=O)O1)[CH]8O)c9cc(C)c(C)cc79)|N%10=C(C=C%11N|5=C([CH](CCC(N)=O)C%11(C)C)C(=C24)C)[CH](C=CC(N)=O)[C](C)(CC(N)=O)C%10=C(C)C%12=N|6[C]3(C)[C](C)(CC(N)=O)[CH]%12CCC(N)=O;Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7C8C(C(C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6C8(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1C=CC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)(CCC(=O)NCC(OP(=O)(OC1C(OC3C1O)CO)O)C)C)CC(=O)N)O","InChI=1S/C62H88N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h12,15,20-21,23,28,31,34-37,41,52-53,56-57,76,84H,13-14,16-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/b15-12+;;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","","2012-07-12","2012-10-12","","2012-10-12"],["0MG","amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium","C7 H15 N4 O3","O=C(C(=O)O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C(=O)C(O)=O;C(CC(C(=O)C(=O)O)N)CNC(=[NH2+])N","InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1","","2010-09-24","2024-09-27","amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium",""],["I2B","(2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile","C15 H12 Cl N O2","Oc1ccc(C[CH](C#N)c2ccc(O)cc2Cl)cc1;c1cc(ccc1CC(C#N)c2ccc(cc2Cl)O)O","InChI=1S/C15H12ClNO2/c16-15-8-13(19)5-6-14(15)11(9-17)7-10-1-3-12(18)4-2-10/h1-6,8,11,18-19H,7H2/t11-/m1/s1","","2022-05-31","2022-07-15","(2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile","2022-07-20"],["I2C","5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine","C19 H23 N6 O10 P","O=CCc4nc(O)c(c(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C;Cc1c(O)nc(CC=O)c(C)c1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N;Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O","InChI=1S/C19H23N6O10P/c1-7-9(3-4-26)22-16(29)8(2)14(7)35-36(31,32)33-5-10-12(27)13(28)18(34-10)25-6-21-11-15(25)23-19(20)24-17(11)30/h4,6,10,12-13,18,27-28H,3,5H2,1-2H3,(H,22,29)(H,31,32)(H3,20,23,24,30)/t10-,12-,13-,18-/m1/s1","","2008-11-21","2011-06-04","5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine",""],["0MH","N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide","C27 H24 Cl N5 O6 S","COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5sccc5)c(cc4Cl)[N+]([O-])=O;Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5","InChI=1S/C27H24ClN5O6S/c1-16-24(25(30-39-16)17-6-3-4-7-22(17)38-2)27(35)32-11-9-31(10-12-32)20-15-19(21(33(36)37)14-18(20)28)29-26(34)23-8-5-13-40-23/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)","","2012-03-01","2013-03-01","N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide","2013-03-06"],["0MI","1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","C10 H14 N5 O4","CC1=CN([CH]2C[CH](O)[CH](CN=[N]=N)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN=[N]=N)O","InChI=1S/C10H14N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,11,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1","","2021-06-14","2021-09-03","1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","2021-09-08"],["I2D","N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide","C23 H19 Cl N4 O","Clc1cccc(c1)CN(c1ccc(cc1)c1c[NH]nc1)C(=O)Cc1cccnc1;Clc1cccc(CN(C(=O)Cc2cccnc2)c3ccc(cc3)c4c[nH]nc4)c1;c1cc(cc(c1)Cl)CN(c2ccc(cc2)c3c[nH]nc3)C(=O)Cc4cccnc4","InChI=1S/C23H19ClN4O/c24-21-5-1-3-18(11-21)16-28(23(29)12-17-4-2-10-25-13-17)22-8-6-19(7-9-22)20-14-26-27-15-20/h1-11,13-15H,12,16H2,(H,26,27)","","2022-01-07","2023-01-06","N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide","2023-01-11"],["0MJ","(3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide","C27 H29 N3 O4 S","O=S(=O)(c1ccc(cc1)C)NC5CC(C(=O)NCC3c4c(Oc2c3cccc2)cccc4)CNC5;Cc1ccc(cc1)[S](=O)(=O)N[CH]2CNC[CH](C2)C(=O)NC[CH]3c4ccccc4Oc5ccccc35;Cc1ccc(cc1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5","InChI=1S/C27H29N3O4S/c1-18-10-12-21(13-11-18)35(32,33)30-20-14-19(15-28-16-20)27(31)29-17-24-22-6-2-4-8-25(22)34-26-9-5-3-7-23(24)26/h2-13,19-20,24,28,30H,14-17H2,1H3,(H,29,31)/t19-,20+/m0/s1","","2012-08-16","2013-02-08","(3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide","2013-02-08"],["I2E","3-(1,3-benzodioxol-5-yl)propanoic acid","C10 H10 O4","O=C(O)CCc1ccc2OCOc2c1;OC(=O)CCc1ccc2OCOc2c1;c1cc2c(cc1CCC(=O)O)OCO2","InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)","","2012-02-07","2014-09-05","3-(1,3-benzodioxol-5-yl)propanoic acid","2012-12-14"],["I2F","(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol","C12 H26 N2 O5","CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO;CC(=NCCCCC(C(O)O)N)C(CC(CO)O)O","InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1","","2022-02-08","2024-09-27","(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol","2023-02-08"],["0MK","beta-L-ribopyranose","C5 H10 O5","C1(O)C(O)C(O)C(CO1)O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m0/s1","beta-L-ribose; L-ribose; ribose; L-ribopyranose","2012-03-01","2020-07-17","beta-L-ribopyranose","2013-03-20"],["I2G","(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid","C12 H20 O2","CCCC[CH](C)C=C(C)C=CC(O)=O;CCCCC(C)C=C(C)C=CC(=O)O","InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1","","2022-05-31","2023-12-08","(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid","2023-12-13"],["0ML","(2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide","C11 H15 I N2 O2","Ic1ccc(cc1)CNC(=O)C(O)C(N)C;C[CH](N)[CH](O)C(=O)NCc1ccc(I)cc1;CC(C(C(=O)NCc1ccc(cc1)I)O)N","InChI=1S/C11H15IN2O2/c1-7(13)10(15)11(16)14-6-8-2-4-9(12)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10-/m0/s1","","2010-11-02","2012-01-13","(2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide",""],["I2H","5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine","C19 H22 N4 O3","n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c2OC(C=Cc23)C4CC4;COc1cc(Cc2cnc(N)nc2N)c3C=C[CH](Oc3c1OC)C4CC4;COc1cc(c2c(c1OC)OC(C=C2)C3CC3)Cc4cnc(nc4N)N","InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1","","2009-01-21","2014-04-15","5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine",""],["0MM","[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone","C20 H17 Cl2 N5 O4","[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2c(Cl)nccc2)C)CC4;Cc1onc(c2cccnc2Cl)c1C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O;Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]","InChI=1S/C20H17Cl2N5O4/c1-12-17(18(24-31-12)14-3-2-6-23-19(14)22)20(28)26-9-7-25(8-10-26)16-5-4-13(27(29)30)11-15(16)21/h2-6,11H,7-10H2,1H3","","2011-08-24","2012-08-24","[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone","2012-08-24"],["I2I","molecular iodine","I2","II;II;II","InChI=1S/I2/c1-2","","2014-09-05","2014-09-26","iodine","2014-10-01"],["0MN","N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide","C22 H18 N2 O3 S","O=C(Nc3ccc(c1nc2ccccc2s1)cc3)COc4cccc(OC)c4;COc1cccc(OCC(=O)Nc2ccc(cc2)c3sc4ccccc4n3)c1;COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3","InChI=1S/C22H18N2O3S/c1-26-17-5-4-6-18(13-17)27-14-21(25)23-16-11-9-15(10-12-16)22-24-19-7-2-3-8-20(19)28-22/h2-13H,14H2,1H3,(H,23,25)","","2012-03-02","2013-04-03","N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide",""],["0MO","(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one","C15 H22 N2 O3","O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2;CCCCOc1cc(C[CH]2CNC(=O)N2)ccc1OC;CCCCOc1cc(ccc1OC)CC2CNC(=O)N2","InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1","4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone","2009-07-13","2020-06-17","(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one",""],["I2J","2-(2-aminoethoxy)ethan-1-ol","C4 H11 N O2","NCCOCCO;NCCOCCO;C(COCCO)N","InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2","","2022-01-07","2024-09-27","2-(2-aminoethoxy)ethan-1-ol","2022-08-03"],["I2K","3-sialyllactose","C23 H39 N O19","CC(=O)N[CH]1[CH](O)C[C](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]([CH](O)CO)[CH](O)[CH](O)C=O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O","InChI=1S/C23H39NO19/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39)/t8-,9-,10+,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-,21-,23-/m0/s1","","2022-02-08","2022-12-02","(2~{S},4~{S},5~{S},6~{S})-5-acetamido-2-[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(2~{R},3~{R},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-4-yl]oxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2022-12-07"],["0MP","N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide","C28 H38 F N3 O3","CC(=O)N[CH](Cc1ccc(F)cc1)[CH](O)CN[CH]2CC3(CCC3)Oc4ncc(CC(C)(C)C)cc24;CC(=O)NC(Cc1ccc(cc1)F)C(CNC2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O","InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1","","2012-03-02","2012-10-05","N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(4-fluorophenyl)-3-oxidanyl-butan-2-yl]ethanamide","2012-10-05"],["0MQ","[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid","C8 H19 N O6 P2","O[P](O)(=O)C(CNC1CCCCC1)[P](O)(O)=O;C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)6-9-7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)","","2012-03-02","2013-01-11","[2-(cyclohexylamino)-1-phosphono-ethyl]phosphonic acid","2013-01-11"],["I2L","2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid","C21 H17 F3 O5","CC1=C(CC(O)=O)C(=O)Oc2c(C)c(OCc3cccc(c3)C(F)(F)F)ccc12;Cc1c(ccc2c1OC(=O)C(=C2C)CC(=O)O)OCc3cccc(c3)C(F)(F)F","InChI=1S/C21H17F3O5/c1-11-15-6-7-17(12(2)19(15)29-20(27)16(11)9-18(25)26)28-10-13-4-3-5-14(8-13)21(22,23)24/h3-8H,9-10H2,1-2H3,(H,25,26)","","2022-06-01","2023-07-28","2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid","2023-08-02"],["0MR","N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide","C28 H25 Cl N6 O6","COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5ccccn5)c(cc4Cl)[N+]([O-])=O;Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5","InChI=1S/C28H25ClN6O6/c1-17-25(26(32-41-17)18-7-3-4-9-24(18)40-2)28(37)34-13-11-33(12-14-34)22-16-21(23(35(38)39)15-19(22)29)31-27(36)20-8-5-6-10-30-20/h3-10,15-16H,11-14H2,1-2H3,(H,31,36)","","2012-03-05","2013-03-01","N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide","2013-03-06"],["I2M","3-methyl-L-alloisoleucine","C7 H15 N O2","O=C(O)C(N)C(C)(CC)C;CCC(C)(C)[CH](N)C(O)=O;CCC(C)(C)C(C(=O)O)N","InChI=1S/C7H15NO2/c1-4-7(2,3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1","beta-methylisoleucine","2008-06-01","2024-09-27","3-methyl-L-alloisoleucine",""],["I2N","N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide","C27 H20 Cl F N4 O","Fc1cc(cc(Cl)c1)CN(c1ccc(cc1)c1c[NH]cn1)C(=O)Cc1cncc2ccccc21;Fc1cc(Cl)cc(CN(C(=O)Cc2cncc3ccccc23)c4ccc(cc4)c5c[nH]cn5)c1;c1ccc2c(c1)cncc2CC(=O)N(Cc3cc(cc(c3)Cl)F)c4ccc(cc4)c5c[nH]cn5","InChI=1S/C27H20ClFN4O/c28-22-9-18(10-23(29)12-22)16-33(24-7-5-19(6-8-24)26-15-31-17-32-26)27(34)11-21-14-30-13-20-3-1-2-4-25(20)21/h1-10,12-15,17H,11,16H2,(H,31,32)","","2022-01-07","2023-01-06","N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide","2023-01-11"],["0MS","[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone","C21 H20 Br Cl N4 O2","Cc1onc(c2ccccc2Cl)c1C(=O)N3CCN(CC3)c4ncc(Br)cc4C;Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br","InChI=1S/C21H20BrClN4O2/c1-13-11-15(22)12-24-20(13)26-7-9-27(10-8-26)21(28)18-14(2)29-25-19(18)16-5-3-4-6-17(16)23/h3-6,11-12H,7-10H2,1-2H3","","2012-03-05","2013-03-01","[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone","2013-03-06"],["I2O","N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide","C23 H24 N2 O2","O=C(NC1CC1)c2cc(c(cc2)C)c3cc4c(cc3)C5(C(=O)N4)CCCC5;Cc1ccc(cc1c2ccc3c(NC(=O)C34CCCC4)c2)C(=O)NC5CC5;Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5","InChI=1S/C23H24N2O2/c1-14-4-5-16(21(26)24-17-7-8-17)12-18(14)15-6-9-19-20(13-15)25-22(27)23(19)10-2-3-11-23/h4-6,9,12-13,17H,2-3,7-8,10-11H2,1H3,(H,24,26)(H,25,27)","","2011-04-15","2012-02-24","N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide",""],["0MT","4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid","C24 H16 N4 O5","OC(=O)c1ccc(cc1)N2[CH](c3ccc(cc3)[N+]([O-])=O)c4c([nH]nc4c5ccccc5)C2=O;c1ccc(cc1)c2c3c([nH]n2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O","InChI=1S/C24H16N4O5/c29-23-21-19(20(25-26-21)14-4-2-1-3-5-14)22(15-6-12-18(13-7-15)28(32)33)27(23)17-10-8-16(9-11-17)24(30)31/h1-13,22H,(H,25,26)(H,30,31)/t22-/m1/s1","","2012-03-05","2012-05-25","4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid",""],["0MU","(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H23 N3 O8 S","CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O;CC(=O)OCC1CSC(N=C1C(=O)O)C(C=O)NC(=O)CCCC(C(=O)O)N","InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1","CEPHALOSPORIN C, bound form","2012-03-05","2024-09-27","(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2017-07-12"],["I2P","D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE","C6 H15 O15 P3","O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6+/m0/s1","D-MYO-INOSITOL-2,4,5-TRISPHOSPHATE","1999-07-08","2021-03-13","(1R,2R,3S,4S,5S,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]",""],["I2Q","3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one","C24 H18 F3 N O2","CC1=C(Nc2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3;CC1=C(Nc2ccccc2C1=O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C24H18F3NO2/c1-15-22(28-21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13H,14H2,1H3,(H,28,29)","3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1H-quinolin-4-one","2022-02-09","2022-08-22","3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one","2022-08-10"],["0MV","(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","C18 H15 N3 O2","O=C2c1c(cccc1)NC(=O)C(N2)Cc4c3ccccc3nc4;O=C1Nc2ccccc2C(=O)N[CH]1Cc3c[nH]c4ccccc34;c1ccc2c(c1)c(c[nH]2)CC3C(=O)Nc4ccccc4C(=O)N3","InChI=1S/C18H15N3O2/c22-17-13-6-2-4-8-15(13)20-18(23)16(21-17)9-11-10-19-14-7-3-1-5-12(11)14/h1-8,10,16,19H,9H2,(H,20,23)(H,21,22)/t16-/m0/s1","","2012-03-07","2012-05-25","(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione",""],["0MW","[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)","C8 H21 N O6 P2","O=P(O)(O)C(CNCCCCCC)P(=O)(O)O;CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O;CCCCCCNCC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)","","2012-03-08","2013-01-11","[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)","2013-01-11"],["I2R","(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid","C18 H12 N2 O2","OC(=O)C(=Cc1cn(c2ccccc2)c3ccccc13)C#N;c1ccc(cc1)n2cc(c3c2cccc3)C=C(C#N)C(=O)O","InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+","UK-5099","2022-06-02","2023-05-19","(~{E})-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid","2023-05-24"],["I2S","(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one","C24 H20 Cl N3 O3 S","Cc1ccc(cc1)S(=O)(=O)n1cc2CCNC3=CC(=NCc4ccc(Cl)cc4)C(=O)c1c32;Cc1ccc(cc1)[S](=O)(=O)n2cc3CCNC4=CC(=NCc5ccc(Cl)cc5)C(=O)c2c34;Cc1ccc(cc1)S(=O)(=O)n2cc3c4c2C(=O)C(=NCc5ccc(cc5)Cl)C=C4NCC3","InChI=1S/C24H20ClN3O3S/c1-15-2-8-19(9-3-15)32(30,31)28-14-17-10-11-26-20-12-21(24(29)23(28)22(17)20)27-13-16-4-6-18(25)7-5-16/h2-9,12,14,26H,10-11,13H2,1H3/b27-21-","","2022-01-07","2022-08-05","(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one","2022-08-10"],["0MX","N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide","C24 H17 Cl N4 O4 S","O=C(Nc3nnc4ccc(c2ccc(NS(=O)(=O)c1cccc(Cl)c1)cc2)cc34)c5occc5;Clc1cccc(c1)[S](=O)(=O)Nc2ccc(cc2)c3ccc4[nH]nc(NC(=O)c5occc5)c4c3;c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5","InChI=1S/C24H17ClN4O4S/c25-17-3-1-4-19(14-17)34(31,32)29-18-9-6-15(7-10-18)16-8-11-21-20(13-16)23(28-27-21)26-24(30)22-5-2-12-33-22/h1-14,29H,(H2,26,27,28,30)","","2012-03-09","2012-09-28","N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide","2012-09-28"],["I2T","(2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid","C14 H22 N3 O11 P","CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O;CN1C=C(C(=O)N(C1=O)CCC(C(=O)O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8+,9+,10+,11-/m0/s1","","2022-02-09","2022-08-22","(2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid","2022-06-15"],["0MY","N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide","C19 H15 Cl N4 O2 S","Clc1cccc(c1)S(=O)(=O)Nc4ccc(c2cc3c(cc2)nnc3N)cc4;Nc1n[nH]c2ccc(cc12)c3ccc(N[S](=O)(=O)c4cccc(Cl)c4)cc3;c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N","InChI=1S/C19H15ClN4O2S/c20-14-2-1-3-16(11-14)27(25,26)24-15-7-4-12(5-8-15)13-6-9-18-17(10-13)19(21)23-22-18/h1-11,24H,(H3,21,22,23)","","2012-03-09","2012-09-28","N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide","2012-09-28"],["I2U","5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide","C14 H9 Cl N2 O3 S","NC(=O)n1c(O)c(C(=O)c2sccc2)c3cc(Cl)ccc13;c1cc(sc1)C(=O)c2c3cc(ccc3n(c2O)C(=O)N)Cl","InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)","tenidap","2022-06-02","2023-05-19","5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide","2023-05-24"],["0MZ","2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide","C19 H15 F3 N4 O3 S","O=C(Nc1cc(ccc1)C(F)(F)F)CC2SC(/N=C2O)=NN=Cc3ccccc3O;OC1=NC(S[CH]1CC(=O)Nc2cccc(c2)C(F)(F)F)=NN=Cc3ccccc3O;c1ccc(c(c1)C=NN=C2N=C(C(S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O","InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-5-3-6-13(8-12)24-16(28)9-15-17(29)25-18(30-15)26-23-10-11-4-1-2-7-14(11)27/h1-8,10,15,27H,9H2,(H,24,28)(H,25,26,29)/b23-10+/t15-/m0/s1","","2012-03-09","2012-11-09","2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide","2012-11-09"],["0N0","(3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide","C32 H39 N3 O5 S","O=S(=O)(c1ccc(cc1)C)NC5CC(C(=O)NCC3(c4c(Oc2c3cccc2)cccc4)CCCCOC)CNC5;COCCCC[C]1(CNC(=O)[CH]2CNC[CH](C2)N[S](=O)(=O)c3ccc(C)cc3)c4ccccc4Oc5ccccc15;Cc1ccc(cc1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC","InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1","","2012-08-16","2013-02-08","(3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide","2013-02-08"],["I2V","(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid","C7 H12 F N O2","FCC1CC(CC1N)C(=O)O;N[CH]1C[CH](C[CH]1CF)C(O)=O;C1C(CC(C1CF)N)C(=O)O","InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1","","2022-01-07","2022-04-01","(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid","2022-04-06"],["0N1","(4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione","C34 H41 N3 O4","O=C2c4cc(C(=O)NC(COCC=CCC(c1ccccc1)N2)C(O)CNCc3cccc(c3)C(C)C)cc(c4)C;CC(C)c1cccc(CNC[CH](O)[CH]2COCC=CC[CH](NC(=O)c3cc(C)cc(c3)C(=O)N2)c4ccccc4)c1;Cc1cc2cc(c1)C(=O)NC(COCC=CCC(NC2=O)c3ccccc3)C(CNCc4cccc(c4)C(C)C)O","InChI=1S/C34H41N3O4/c1-23(2)27-13-9-10-25(18-27)20-35-21-32(38)31-22-41-15-8-7-14-30(26-11-5-4-6-12-26)36-33(39)28-16-24(3)17-29(19-28)34(40)37-31/h4-13,16-19,23,30-32,35,38H,14-15,20-22H2,1-3H3,(H,36,39)(H,37,40)/b8-7+/t30-,31+,32-/m1/s1","","2012-03-09","2012-07-06","(4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione",""],["I2W","2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one","C14 H16 Cl N5 O S","Clc1cccc(c1)N2CCN(CC2)C(=O)CSc3n[nH]cn3;c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CSc3nc[nH]n3","InChI=1S/C14H16ClN5OS/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)13(21)9-22-14-16-10-17-18-14/h1-3,8,10H,4-7,9H2,(H,16,17,18)","","2022-02-09","2022-08-22","1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1~{H}-1,2,4-triazol-3-ylsulfanyl)ethanone","2022-05-04"],["0N2","(2R,4S,5R,6R)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C16 H27 N3 O13 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(N)C3)C)O)O)C;C[CH]1O[CH](C[CH](N)[CH]1O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1C(C(CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)N)O","InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-,14+/m1/s1","","2012-03-12","2012-05-16","(2R,4S,5R,6R)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["I2X","6-(difluoromethyl)pyrimidin-4-ol","C5 H4 F2 N2 O","Oc1cc(ncn1)C(F)F;Oc1cc(ncn1)C(F)F;c1c(ncnc1O)C(F)F","InChI=1S/C5H4F2N2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10)","ISOTHIAZOLIDANONE ANALOGUE","2023-07-25","2024-08-09","6-(difluoromethyl)pyrimidin-4-ol","2024-08-14"],["I2Z","6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione","C12 H16 N4 O2","CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O;CNC1C(N(C(=O)NC1=O)Cc2ccccc2)N","InChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1","","2022-02-09","2022-08-22","(5~{R})-6-azanyl-5-(methylamino)-1-(phenylmethyl)-1,3-diazinane-2,4-dione","2022-05-04"],["0N3","3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid","C9 H12 B N O6 S","O=S(=O)(NCB(O)O)Cc1cccc(c1)C(=O)O;OB(O)CN[S](=O)(=O)Cc1cccc(c1)C(O)=O;B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O","InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-2-7(4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)","","2012-03-13","2024-09-27","3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid","2012-09-21"],["0N4","[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid","C8 H10 B N5 O4 S","O=S(=O)(c2ccc(c1nnnn1)cc2)NCB(O)O;OB(O)CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2;B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O","InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14)","","2012-03-13","2024-09-27","[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid","2012-09-21"],["I30","N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide","C16 H13 Br N4 O2","Brc1cc(c(O)cc1)C(=O)NN=C(c3nc2ccccc2n3)C;CC(=NNC(=O)c1cc(Br)ccc1O)c2[nH]c3ccccc3n2;CC(=NNC(=O)c1cc(ccc1O)Br)c2[nH]c3ccccc3n2","InChI=1S/C16H13BrN4O2/c1-9(15-18-12-4-2-3-5-13(12)19-15)20-21-16(23)11-8-10(17)6-7-14(11)22/h2-8,22H,1H3,(H,18,19)(H,21,23)/b20-9+","","2011-07-26","2012-06-01","N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide",""],["I31","(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole","C29 H32 Cl2 N2 O","Clc1ccc(cc1)C4(N=C(c2ccc(cc2OCC)C(C)(C)C)NC4(c3ccc(Cl)cc3)C)C;CCOc1cc(ccc1C2=N[C](C)(c3ccc(Cl)cc3)[C](C)(N2)c4ccc(Cl)cc4)C(C)(C)C;CCOc1cc(ccc1C2=NC(C(N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C","InChI=1S/C29H32Cl2N2O/c1-7-34-25-18-21(27(2,3)4)12-17-24(25)26-32-28(5,19-8-13-22(30)14-9-19)29(6,33-26)20-10-15-23(31)16-11-20/h8-18H,7H2,1-6H3,(H,32,33)/t28-,29+","","2013-03-08","2013-08-02","(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole","2013-08-07"],["0N5","N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide","C22 H18 N4 O3","O=C(c1ccccc1)Nc2ccc(cc2)Nc4ncnc3c4cc(OC)c(O)c3;COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O;COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4","InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)","","2012-03-14","2013-05-24","N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide","2013-05-29"],["I32","4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile","C16 H20 I N3 O2","Ic2c1c(cccc1OCC(O)CNC(C)(C)C)nc2C#N;CC(C)(C)NC[CH](O)COc1cccc2[nH]c(C#N)c(I)c12;CC(C)(C)NCC(COc1cccc2c1c(c([nH]2)C#N)I)O","InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1","IODOCYANOPINDOLOL","2011-03-17","2020-06-17","4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile",""],["0N6","(R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide","C23 H26 N4 O3 S","O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(cc2)CNCC3)Cc4cccc(C#N)c4;O=C([CH](Cc1cccc(c1)C#N)N[S](=O)(=O)c2ccc3CNCCc3c2)N4CCCC4;c1cc(cc(c1)C#N)CC(C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4","InChI=1S/C23H26N4O3S/c24-15-18-5-3-4-17(12-18)13-22(23(28)27-10-1-2-11-27)26-31(29,30)21-7-6-20-16-25-9-8-19(20)14-21/h3-7,12,14,22,25-26H,1-2,8-11,13,16H2/t22-/m1/s1","","2012-03-15","2012-03-23","N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide",""],["0N7","2-hydroxyisoquinoline-1,3(2H,4H)-dione","C9 H7 N O3","O=C2c1c(cccc1)CC(=O)N2O;ON1C(=O)Cc2ccccc2C1=O;c1ccc2c(c1)CC(=O)N(C2=O)O","InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2","","2012-03-15","2012-08-03","2-hydroxyisoquinoline-1,3(2H,4H)-dione",""],["I33","7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide","C16 H17 Cl N2 O S","Clc1cccc2cc(sc12)C(=O)N[CH]3CN4CCC3CC4;c1cc2cc(sc2c(c1)Cl)C(=O)NC3CN4CCC3CC4","InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1","","2021-04-09","2021-05-14","~{N}-[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]-7-chloranyl-1-benzothiophene-2-carboxamide","2021-05-19"],["0N8","(2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid","C23 H24 Cl N O4","O=C(O)C(O)=CC(=O)C2(CCN(Cc1ccccc1)CC2)Cc3ccc(Cl)cc3;OC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(Cl)cc3;c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)O)O","InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-","","2012-03-15","2012-08-03","(2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid",""],["I34","N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea","C13 H14 Cl N3 O4","COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl;Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl","InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)","","2021-04-09","2021-05-14","1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea","2021-05-19"],["I35","[(2~{R})-2-butanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate","C17 H33 O19 P3","CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC","InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-17-13(21)15(34-37(23,24)25)12(20)16(14(17)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13-,14-,15-,16+,17-/m1/s1","","2019-08-16","2020-07-03","[(2~{R})-2-butanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate","2020-07-08"],["0N9","5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","C9 H8 N4 O4","O=C(O)C=1N=C(NC(=O)C=1O)c2ncn(c2)C;Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O;Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O","InChI=1S/C9H8N4O4/c1-13-2-4(10-3-13)7-11-5(9(16)17)6(14)8(15)12-7/h2-3,14H,1H3,(H,16,17)(H,11,12,15)","","2012-03-15","2012-08-03","5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid",""],["0NA","[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid","C7 H9 B N6 O4 S","O=S(=O)(c2cnc(c1nnnn1)cc2)NCB(O)O;OB(O)CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2;B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O","InChI=1S/C7H9BN6O4S/c15-8(16)4-10-19(17,18)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15-16H,4H2,(H,11,12,13,14)","","2012-03-16","2024-09-27","[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid","2012-09-21"],["I36","(2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid","C15 H28 N6 O6","C[CH](NC(=O)[CH](CCC[CH](N)C(N)=O)NC(=O)CC[CH](N)C(N)=O)C(O)=O;CC(C(=O)O)NC(=O)C(CCCC(C(=O)N)N)NC(=O)CCC(C(=O)N)N","InChI=1S/C15H28N6O6/c1-7(15(26)27)20-14(25)10(4-2-3-8(16)12(18)23)21-11(22)6-5-9(17)13(19)24/h7-10H,2-6,16-17H2,1H3,(H2,18,23)(H2,19,24)(H,20,25)(H,21,22)(H,26,27)/t7-,8-,9-,10+/m1/s1","","2023-07-25","2024-08-02","(2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid","2024-08-07"],["I37","4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide","C16 H19 F N4 O2","O=C(NC1(C(=O)NCC#N)CCCCC1)c2ccc(N)c(F)c2;Nc1ccc(cc1F)C(=O)NC2(CCCCC2)C(=O)NCC#N;c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N","InChI=1S/C16H19FN4O2/c17-12-10-11(4-5-13(12)19)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,10H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)","","2014-12-08","2015-09-18","4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide","2015-09-23"],["0NB","[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid","C8 H9 B Cl N5 O4 S","O=S(=O)(c2cc(Cl)c(c1nnnn1)cc2)NCB(O)O;OB(O)CN[S](=O)(=O)c1ccc(c(Cl)c1)c2[nH]nnn2;B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O","InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15)","","2012-03-16","2024-09-27","[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid","2012-09-21"],["0NC","N-methyl-L-alaninamide","C4 H10 N2 O","O=C(NC)C(N)C;CNC(=O)[CH](C)N;CC(C(=O)NC)N","InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1","","2008-03-31","2024-09-27","N-methyl-L-alaninamide",""],["I38","N-(3-MERCAPTOPROPANOYL)-D-ALANINE","C6 H11 N O3 S","O=C(NC(C(=O)O)C)CCS;C[CH](NC(=O)CCS)C(O)=O;CC(C(=O)O)NC(=O)CCS","InChI=1S/C6H11NO3S/c1-4(6(9)10)7-5(8)2-3-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1","","2007-06-22","2011-06-04","N-(3-sulfanylpropanoyl)-D-alanine",""],["I39","[3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone","C19 H14 F2 N2 O2","Fc1ccc(c(F)c1)C(=O)c3cc[n+]([O-])c(c2c(cccc2)C)c3N;Cc1ccccc1c2c(N)c(cc[n+]2[O-])C(=O)c3ccc(F)cc3F;Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N","InChI=1S/C19H14F2N2O2/c1-11-4-2-3-5-13(11)18-17(22)15(8-9-23(18)25)19(24)14-7-6-12(20)10-16(14)21/h2-10H,22H2,1H3","","2009-06-11","2011-06-04","[3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone",""],["0ND","[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid","C8 H9 B Cl N5 O4 S","O=S(=O)(c2c(Cl)cc(c1nnnn1)cc2)NCB(O)O;OB(O)CN[S](=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2;B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O","InChI=1S/C8H9BClN5O4S/c10-6-3-5(8-12-14-15-13-8)1-2-7(6)20(18,19)11-4-9(16)17/h1-3,11,16-17H,4H2,(H,12,13,14,15)","","2012-03-16","2024-09-27","[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid","2012-09-21"],["I3A","1H-INDOLE-3-CARBALDEHYDE","C9 H7 N O","O=Cc2c1ccccc1nc2;O=Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C=O","InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H","","2007-02-14","2011-06-04","1H-indole-3-carbaldehyde",""],["0NE","[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid","C9 H9 B F3 N5 O4 S","O=S(=O)(c2c(cc(c1nnnn1)cc2)C(F)(F)F)NCB(O)O;OB(O)CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2;B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O","InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)","","2012-03-16","2024-09-27","[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid","2012-09-21"],["I3B","5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid","C13 H21 N2 O7 P","Oc1c(CNCCCCC(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNCCCCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCC(=O)O)O","InChI=1S/C13H21N2O7P/c1-9-13(18)11(7-14-5-3-2-4-12(16)17)10(6-15-9)8-22-23(19,20)21/h6,14,18H,2-5,7-8H2,1H3,(H,16,17)(H2,19,20,21)","","2022-01-07","2024-09-27","5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid","2022-05-04"],["0NF","(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide","C29 H29 F3 N4 O3","FC(F)(F)c1cc(cc(c1)NC(=O)C5Cc4cc(Oc2ccnc3c2CCC(=O)N3)ccc4CC5)C(N)(C)C;CC(C)(N)c1cc(NC(=O)[CH]2CCc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C2)cc(c1)C(F)(F)F;CC(C)(c1cc(cc(c1)NC(=O)C2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N","InChI=1S/C29H29F3N4O3/c1-28(2,33)19-13-20(29(30,31)32)15-21(14-19)35-27(38)17-4-3-16-5-6-22(12-18(16)11-17)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h5-6,9-10,12-15,17H,3-4,7-8,11,33H2,1-2H3,(H,35,38)(H,34,36,37)/t17-/m0/s1","","2011-02-04","2011-06-04","(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide",""],["I3C","5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid","C8 H4 I3 N O4","Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O;Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I;c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O","InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)","5-Amino-2,4,6-triiodoisophthalic acid","2008-08-11","2021-03-13","5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid",""],["0NG","({[(chloromethyl)sulfonyl]amino}methyl)boronic acid","C2 H7 B Cl N O4 S","ClCS(=O)(=O)NCB(O)O;OB(O)CN[S](=O)(=O)CCl;B(CNS(=O)(=O)CCl)(O)O","InChI=1S/C2H7BClNO4S/c4-2-10(8,9)5-1-3(6)7/h5-7H,1-2H2","","2012-03-16","2024-09-27","({[(chloromethyl)sulfonyl]amino}methyl)boronic acid","2012-09-21"],["I3D","5,6-difluoro-tryptophan","C11 H10 F2 N2 O2","N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O;c1c2c(cc(c1F)F)[nH]cc2CC(C(=O)O)N","InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1","(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid","2022-02-10","2024-09-27","(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid","2022-11-23"],["0NH","1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine","C15 H19 N5 O2 S","O=S(=O)(N4CCC(n1c2c3ccnc3ncc2nc1)(CC4)C)C;CC1(CCN(CC1)[S](C)(=O)=O)n2cnc3cnc4[nH]ccc4c23;CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3","InChI=1S/C15H19N5O2S/c1-15(4-7-19(8-5-15)23(2,21)22)20-10-18-12-9-17-14-11(13(12)20)3-6-16-14/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17)","","2012-03-16","2012-05-25","1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine",""],["I3E","1-(4-ethylphenyl)propan-1-one","C11 H14 O","O=C(c1ccc(cc1)CC)CC;CCC(=O)c1ccc(CC)cc1;CCc1ccc(cc1)C(=O)CC","InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3","1-(4-ethylphenyl)prop-2-en-1-one, bound form","2011-07-26","2024-09-27","1-(4-ethylphenyl)propan-1-one",""],["0NI","Aurachin D","C25 H33 N O","CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)Nc2ccccc2C1=O;CC1=C(C(=O)c2ccccc2N1)CC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16-","2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one","2021-06-09","2021-11-12","2-methyl-3-[(6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-1~{H}-quinolin-4-one","2021-11-17"],["0NJ","2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole","C14 H10 F N O S","Fc3ccccc3c1nc2ccc(OC)cc2s1;COc1ccc2nc(sc2c1)c3ccccc3F;COc1ccc2c(c1)sc(n2)c3ccccc3F","InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3","","2012-03-18","2012-08-31","2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole","2012-08-31"],["I3F","[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone","C19 H20 N6 O3","COc1ccc(Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[CH](O)C4)cc1;COc1ccc(cc1)Nc2cc(ncn2)n3cc(cn3)C(=O)N4CCC(C4)O","InChI=1S/C19H20N6O3/c1-28-16-4-2-14(3-5-16)23-17-8-18(21-12-20-17)25-10-13(9-22-25)19(27)24-7-6-15(26)11-24/h2-5,8-10,12,15,26H,6-7,11H2,1H3,(H,20,21,23)/t15-/m1/s1","","2023-07-26","2025-08-08","[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3~{R})-3-oxidanylpyrrolidin-1-yl]methanone","2025-08-13"],["I3H","9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide","C20 H15 Cl2 N5 O3","NC(=O)c1nc(nc2N(CCc3ccc(Cl)c(Cl)c3)C(=O)Nc12)c4cccc(O)c4;c1cc(cc(c1)O)c2nc(c3c(n2)N(C(=O)N3)CCc4ccc(c(c4)Cl)Cl)C(=O)N","InChI=1S/C20H15Cl2N5O3/c21-13-5-4-10(8-14(13)22)6-7-27-19-16(25-20(27)30)15(17(23)29)24-18(26-19)11-2-1-3-12(28)9-11/h1-5,8-9,28H,6-7H2,(H2,23,29)(H,25,30)","","2022-02-10","2023-05-05","9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide","2023-05-10"],["0NK","6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine","C16 H23 N3 O3","n2c1c(cc(OC)c(OC)c1OC)c(nc2)NC(CC)CC;CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12;CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC","InChI=1S/C16H23N3O3/c1-6-10(7-2)19-16-11-8-12(20-3)14(21-4)15(22-5)13(11)17-9-18-16/h8-10H,6-7H2,1-5H3,(H,17,18,19)","","2012-08-16","2014-07-11","6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine","2014-07-16"],["I3J","(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid","C10 H9 N O3","Oc1ccc(CC([N+]#[C-])C(=O)O)cc1;OC(=O)[CH](Cc1ccc(O)cc1)[N+]#[C-];[C-]#[N+]C(Cc1ccc(cc1)O)C(=O)O","InChI=1S/C10H9NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6H2,(H,13,14)/t9-/m0/s1","tyrosine isonitrile","2022-01-07","2022-08-26","(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid","2022-08-31"],["0NL","tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate","C18 H23 N5 O2","O=C(OC(C)(C)C)NC4CCC(n3cnc2cnc1nccc1c23)C4;CC(C)(C)OC(=O)N[CH]1CC[CH](C1)n2cnc3cnc4[nH]ccc4c23;CC(C)(C)OC(=O)NC1CCC(C1)n2cnc3c2c4cc[nH]c4nc3","InChI=1S/C18H23N5O2/c1-18(2,3)25-17(24)22-11-4-5-12(8-11)23-10-21-14-9-20-16-13(15(14)23)6-7-19-16/h6-7,9-12H,4-5,8H2,1-3H3,(H,19,20)(H,22,24)/t11-,12-/m1/s1","","2012-03-19","2012-05-25","tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate",""],["I3K","N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine","C24 H18 Cl N3 O4","Clc1ccc(cc1)Nc4nc5cc(Oc2c3cc(OC)c(OC)cc3ncc2)ccc5o4;COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)cc5)nc4c3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl","InChI=1S/C24H18ClN3O4/c1-29-22-12-17-18(13-23(22)30-2)26-10-9-20(17)31-16-7-8-21-19(11-16)28-24(32-21)27-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,28)","","2012-06-22","2012-08-24","N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine","2012-08-24"],["0NM","cyanic acid","C H N O","N#CO;OC#N;C(#N)O","InChI=1S/CHNO/c2-1-3/h3H","","2012-03-21","2013-03-22","cyanic acid","2013-03-27"],["I3L","allyl-cysteine","C6 H11 N O2 S","N[CH](CSCC=C)C(O)=O;C=CCSCC(C(=O)O)N","InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1","","2022-02-10","2023-01-13","(2~{R})-2-azanyl-3-prop-2-enylsulfanyl-propanoic acid","2023-01-18"],["0NN","1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide","C27 H35 N3 O2","O=C(NCCCN3CCC2(OCc1c2cccc1)CC3)C5N(Cc4ccccc4)CCC5;O=C(NCCCN1CCC2(CC1)OCc3ccccc23)[CH]4CCCN4Cc5ccccc5;c1ccc(cc1)CN2CCCC2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4","InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1","","2012-03-22","2012-04-20","1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide",""],["0NP","2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine","C9 H11 F N5 O4","O=C1NC(=O)N(C=C1)C2OC(C(N=[N+]=[N@H])C2F)CO;OC[CH]1O[CH]([CH](F)[CH]1N=[N+]=N)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)N=[N+]=N)F","InChI=1S/C9H10FN5O4/c10-6-7(13-14-11)4(3-16)19-8(6)15-2-1-5(17)12-9(15)18/h1-2,4,6-8,11,16H,3H2/p+1/t4-,6-,7-,8-/m1/s1","","2012-03-23","2013-03-22","2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine","2013-03-27"],["I3M","Tri-iodode Anion","I3","I[I-]I;I[I-]I","InChI=1S/I3/c1-3-2/q-1","","2010-07-13","2011-06-04","triiodide",""],["0NQ","N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide","C24 H37 N4 O6 P S","O=S(=O)(Nc1ccc2c(c1)P(=O)(N=C(N2)C3=C(O)C(N(C3=O)CCC(C)(C)C)C(C)(C)C)OCC)C;CCO[P]1(=O)N=C(Nc2ccc(N[S](C)(=O)=O)cc12)C3=C(O)[CH](N(CCC(C)(C)C)C3=O)C(C)(C)C;CCOP1(=O)c2cc(ccc2NC(=N1)C3=C(C(N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C","InChI=1S/C24H37N4O6PS/c1-9-34-35(31)17-14-15(27-36(8,32)33)10-11-16(17)25-21(26-35)18-19(29)20(24(5,6)7)28(22(18)30)13-12-23(2,3)4/h10-11,14,20,27,29H,9,12-13H2,1-8H3,(H,25,26,31)/t20-,35+/m1/s1","IDX375","2012-03-23","2021-03-01","N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide","2013-03-27"],["I3N","1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID","C19 H19 N O3","O=C(O)Cc2c1cc(OC)ccc1n(c2C)Cc3ccccc3;COc1ccc2n(Cc3ccccc3)c(C)c(CC(O)=O)c2c1;Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O","InChI=1S/C19H19NO3/c1-13-16(11-19(21)22)17-10-15(23-2)8-9-18(17)20(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)","","1999-11-08","2011-06-04","(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid",""],["0NR","methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate","C34 H34 N4 O4","O=C(NC3C2CC1CC3CC(N)(C1)C2)c4ccc(cc4)CC=6C(=O)c5c(nccc5)N(C=6C(=O)OC)c7ccccc7;COC(=O)C1=C(Cc2ccc(cc2)C(=O)NC3[CH]4CC5C[CH]3CC(N)(C5)C4)C(=O)c6cccnc6N1c7ccccc7;COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5C6CC7CC5CC(C7)(C6)N","InChI=1S/C34H34N4O4/c1-42-33(41)29-27(30(39)26-8-5-13-36-31(26)38(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(40)37-28-23-14-21-15-24(28)19-34(35,17-21)18-23/h2-13,21,23-24,28H,14-19,35H2,1H3,(H,37,40)/t21-,23-,24+,28-,34-","","2012-03-23","2013-05-24","methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate","2013-05-29"],["I3O","tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate","C26 H35 N3 O5","COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](CCC(=O)OC(C)(C)C)C4=O)c1;CC(C)CC1c2c(c3ccc(cc3[nH]2)OC)CC4N1C(=O)C(NC4=O)CCC(=O)OC(C)(C)C","InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1","","2023-07-26","2024-11-01","~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate","2024-11-06"],["I3P","D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE","C6 H15 O15 P3","O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1","","1999-07-08","2011-06-04","(1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]",""],["0NS","2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide","C16 H17 N3 O4 S","O=S(=O)(c1ccccc1OC)Nc2ccc3NC(=O)N(Cc3c2)C;COc1ccccc1[S](=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2;CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC","InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)","","2012-03-26","2012-04-13","2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide",""],["I3Q","(4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","C34 H45 N7 O8","NCCOCCNC(=O)C1CCNC(=O)C=CC(=O)N2CCCC(C2)C(=O)NC(Cc2ccco2)C(=O)NCc2ccccc2CC(=O)N1;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[CH](C2)C(=O)N[CH](Cc3occc3)C(=O)NCc4ccccc4CC(=O)N1;c1ccc2c(c1)CC(=O)NC(CCNC(=O)C=CC(=O)N3CCCC(C3)C(=O)NC(C(=O)NC2)Cc4ccco4)C(=O)NCCOCCN","InChI=1S/C34H45N7O8/c35-12-17-48-18-14-37-33(46)27-11-13-36-29(42)9-10-31(44)41-15-3-7-25(22-41)32(45)40-28(20-26-8-4-16-49-26)34(47)38-21-24-6-2-1-5-23(24)19-30(43)39-27/h1-2,4-6,8-10,16,25,27-28H,3,7,11-15,17-22,35H2,(H,36,42)(H,37,46)(H,38,47)(H,39,43)(H,40,45)/b10-9+/t25-,27+,28+/m1/s1","Macrocyclic Inhibitor JOMBt","2022-01-10","2022-08-19","(4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","2022-08-24"],["0NT","[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone","C21 H28 N6 O","O=C(N4CCC(n1c2c3ccnc3ncc2nc1)CC4)C5N(C(C)C)CCC5;CC(C)N1CCC[CH]1C(=O)N2CC[CH](CC2)n3cnc4cnc5[nH]ccc5c34;CC(C)N1CCCC1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4","InChI=1S/C21H28N6O/c1-14(2)26-9-3-4-18(26)21(28)25-10-6-15(7-11-25)27-13-24-17-12-23-20-16(19(17)27)5-8-22-20/h5,8,12-15,18H,3-4,6-7,9-11H2,1-2H3,(H,22,23)/t18-/m0/s1","","2012-03-27","2012-05-25","[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone",""],["I3R","2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one","C19 H15 Cl N4 O","O=C(CCl)N1N=C(CC1c1cccc2nccnc21)c1ccccc1;ClCC(=O)N1N=C(C[CH]1c2cccc3nccnc23)c4ccccc4;c1ccc(cc1)C2=NN(C(C2)c3cccc4c3nccn4)C(=O)CCl","InChI=1S/C19H15ClN4O/c20-12-18(25)24-17(11-16(23-24)13-5-2-1-3-6-13)14-7-4-8-15-19(14)22-10-9-21-15/h1-10,17H,11-12H2/t17-/m1/s1","","2023-05-03","2024-09-27","2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one","2023-06-07"],["0NU","3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile","C16 H16 N6 O","O=C(N4CCCC(n1c2c3ccnc3ncc2nc1)C4)CC#N;O=C(CC#N)N1CCC[CH](C1)n2cnc3cnc4[nH]ccc4c23;c1c[nH]c2c1c3c(cn2)ncn3C4CCCN(C4)C(=O)CC#N","InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1","","2012-03-27","2012-05-25","3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile",""],["I3S","(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL","C6 H15 O15 P3","O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1","","2005-03-21","2011-06-04","(1S,2S,3S,4S,5R,6R)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]",""],["0NV","1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine","C20 H21 N5","n4c5c(c1c(ncn1C3CCN(Cc2ccccc2)CC3)c4)ccn5;C1CN(CCC1n2cnc3cnc4[nH]ccc4c23)Cc5ccccc5;c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4","InChI=1S/C20H21N5/c1-2-4-15(5-3-1)13-24-10-7-16(8-11-24)25-14-23-18-12-22-20-17(19(18)25)6-9-21-20/h1-6,9,12,14,16H,7-8,10-11,13H2,(H,21,22)","","2012-03-27","2012-05-25","1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine",""],["I3T","(2S,5S,8S)-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione","C30 H35 N3 O3","CC(C)C[CH]1N2[CH](Cc3c1[nH]c4cc(OC5CCCC5)ccc34)C(=O)N[CH](Cc6ccccc6)C2=O;CC(C)CC1c2c(c3ccc(cc3[nH]2)OC4CCCC4)CC5N1C(=O)C(NC5=O)Cc6ccccc6","InChI=1S/C30H35N3O3/c1-18(2)14-26-28-23(22-13-12-21(16-24(22)31-28)36-20-10-6-7-11-20)17-27-29(34)32-25(30(35)33(26)27)15-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,18,20,25-27,31H,6-7,10-11,14-15,17H2,1-2H3,(H,32,34)/t25-,26-,27-/m0/s1","","2023-07-26","2024-11-01","(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione","2024-11-06"],["0NW","3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide","C29 H33 Cl2 N5 O3 S","O=C(N1CCC(CCN)CC1)C(NS(=O)(=O)c3cc(c2ccc(Cl)cc2Cl)ccc3)Cc4cccc(C(=[N@H])N)c4;NCC[CH]1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(Cl)cc4Cl;c1cc(cc(c1)C(=N)N)CC(C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl","InChI=1S/C29H33Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-8,15,17-19,27,35H,9-14,16,32H2,(H3,33,34)/t27-/m0/s1","","2012-03-27","2012-06-15","3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide",""],["0NX","(5-phenyl-1,2-oxazol-3-yl)methanol","C10 H9 N O2","OCc2noc(c1ccccc1)c2;OCc1cc(on1)c2ccccc2;c1ccc(cc1)c2cc(no2)CO","InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2","","2012-03-27","2013-01-25","(5-phenyl-1,2-oxazol-3-yl)methanol","2013-01-25"],["I3U","4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid","C9 H18 N2 O4","NCCCCCN(O)C(=O)CCC(=O)O;NCCCCCN(O)C(=O)CCC(O)=O;C(CCN)CCN(C(=O)CCC(=O)O)O","InChI=1S/C9H18N2O4/c10-6-2-1-3-7-11(15)8(12)4-5-9(13)14/h15H,1-7,10H2,(H,13,14)","N-(3-carboxypropanoyl)-N-hydroxycadaverine","2022-01-10","2022-07-01","4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid","2022-07-06"],["I3V","5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione","C5 H7 N3 O2","CC1=C(N)C(=O)NC(=O)N1;CC1=C(C(=O)NC(=O)N1)N","InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)","","2022-02-10","2022-08-22","5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione","2022-03-02"],["0NY","7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine","C17 H21 N5 O2","O(c3ccc2c(ncnc2NC(Cc1cc(nn1)C)C)c3OC)C;COc1ccc2c(N[CH](C)Cc3[nH]nc(C)c3)ncnc2c1OC;Cc1cc([nH]n1)CC(C)Nc2c3ccc(c(c3ncn2)OC)OC","InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1","","2012-08-16","2014-07-11","7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine","2014-07-16"],["I3X","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","C49 H57 N7 O7","NCCOCCNC(=O)C1NC(=O)Cc2ccccc2CNC(=O)C(Cc2ccc(cc2)c2ccccc2)NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCC1)Cc1ccccc1;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4ccc(cc4)c5ccccc5)C(=O)NCc6ccccc6CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccc(cc5)c6ccccc6)C(=O)NCCOCCN","InChI=1S/C49H57N7O7/c50-24-28-63-29-26-52-46(60)41-22-25-51-43(57)20-21-45(59)56-27-9-23-49(34-56,32-36-10-3-1-4-11-36)48(62)55-42(30-35-16-18-38(19-17-35)37-12-5-2-6-13-37)47(61)53-33-40-15-8-7-14-39(40)31-44(58)54-41/h1-8,10-21,41-42H,9,22-34,50H2,(H,51,57)(H,52,60)(H,53,61)(H,54,58)(H,55,62)/b21-20+/t41-,42-,49-/m0/s1","","2022-01-10","2022-08-19","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","2022-08-24"],["0NZ","2-deoxy-6-O-phosphono-beta-D-glucopyranose","C6 H13 O8 P","O=P(O)(O)OCC1OC(O)CC(O)C1O;O[CH]1C[CH](O)[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1","2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose; 2-deoxy-beta-D-glucopyranose 6-phosphate;\n2-deoxy-6-O-phosphono-beta-D-glucose; 2-deoxy-6-O-phosphono-D-glucose; 2-deoxy-6-O-phosphono-glucose","2012-08-17","2020-07-17","2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose","2013-06-12"],["I3Y","2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene","C9 H8 N O3 V","O[V]1(O)Oc2cccc3ccc[n+]1c23;c1cc2ccc[n+]3c2c(c1)O[V]3(O)O","InChI=1S/C9H7NO.2H2O.V/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;2*1H2;/q;;;+4/p-3","","2022-02-10","2023-01-27","2,2-bis(oxidanyl)-3-oxa-1-azonia-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene","2023-02-01"],["0O0","6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione","C23 H22 N4 O4","Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4C;Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)c4c(nn(c4O)C)C)C","InChI=1S/C23H22N4O4/c1-12-8-6-7-9-16(12)27-22(30)18-13(2)15(10-11-17(18)25(4)23(27)31)20(28)19-14(3)24-26(5)21(19)29/h6-11,29H,1-5H3","","2021-06-10","2022-05-27","6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione","2022-06-01"],["0O1","6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C25 H31 N7 O","O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=C(N)N3)CCNCC5CCCC5;NC1=Nc2c(CCNCC3CCCC3)c4[nH]c(NCCc5ccccc5)nc4cc2C(=O)N1;c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N","InChI=1S/C25H31N7O/c26-24-30-21-18(11-12-27-15-17-8-4-5-9-17)22-20(14-19(21)23(33)32-24)29-25(31-22)28-13-10-16-6-2-1-3-7-16/h1-3,6-7,14,17,27H,4-5,8-13,15H2,(H2,28,29,31)(H3,26,30,32,33)","","2012-08-17","2013-08-30","6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-09-04"],["I40","9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE","C20 H19 I N2","Ic1cccc(c1)CNc2c4c(nc3c2CCCC3)cccc4;Ic1cccc(CNc2c3CCCCc3nc4ccccc24)c1;c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I","InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23)","","1999-11-17","2011-06-04","N-(3-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine",""],["I41","2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID","C18 H22 N4 O5","COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CC(O)=O)Cc2ccccc2;COC(=O)C(Cc1cnc[nH]1)NC(=O)CN(Cc2ccccc2)CC(=O)O","InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1","COMPOUND 41367","2011-02-28","2021-03-01","2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid",""],["0O2","guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)","C10 H18 N5 O20 P5","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","2014-11-05","2014-11-05","guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)",""],["0O3","3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate","C5 H12 O8 P2","O=P(O)(O)OP(=O)(OCCC(=C)CO)O;OCC(=C)CCO[P](O)(=O)O[P](O)(O)=O;C=C(CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h6H,1-4H2,(H,10,11)(H2,7,8,9)","","2012-03-29","2013-02-01","3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate","2013-02-01"],["I42","HYDROXY(DIOXIDO)OXOVANADIUM","H O4 V","[O-][V]([O-])(=O)O;O[V]([O-])([O-])=O;O[V](=O)([O-])[O-]","InChI=1S/H2O.3O.V/h1H2;;;;/q;;2*-1;+1/p-1","VANADATE","2006-09-01","2013-05-28","hydroxy(dioxido)oxovanadium",""],["0O4","4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide","C22 H23 N3 O2","O=C(NCCN1CCOCC1)c4ccc(c3nccc2c3cccc2)cc4;O=C(NCCN1CCOCC1)c2ccc(cc2)c3nccc4ccccc34;c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4","InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26)","","2012-03-29","2012-07-13","4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide",""],["I43","6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one","C11 H16 N2 O4","O=C1N=C(OC)C(=C(/C=C(/CO)CO)N1C)C;COC1=NC(=O)N(C)C(=C1C)C=C(CO)CO;CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO","InChI=1S/C11H16N2O4/c1-7-9(4-8(5-14)6-15)13(2)11(16)12-10(7)17-3/h4,14-15H,5-6H2,1-3H3","","2013-01-24","2013-02-01","6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one","2013-02-01"],["0O5","4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide","C23 H25 N3 O2","O=C(NCCN1CCOCC1)c4ccc(c3nc(cc2c3cccc2)C)cc4;Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4;Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4","InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)","","2012-03-29","2012-05-11","4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide",""],["I44","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","C50 H57 N7 O8","O=C(c1ccccc1)c1ccc(cc1)CC1NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4ccc(cc4)C(=O)c5ccccc5)C(=O)NCc6ccccc6CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccc(cc5)C(=O)c6ccccc6)C(=O)NCCOCCN","InChI=1S/C50H57N7O8/c51-24-28-65-29-26-53-47(62)41-22-25-52-43(58)20-21-45(60)57-27-9-23-50(34-57,32-36-10-3-1-4-11-36)49(64)56-42(48(63)54-33-40-15-8-7-14-39(40)31-44(59)55-41)30-35-16-18-38(19-17-35)46(61)37-12-5-2-6-13-37/h1-8,10-21,41-42H,9,22-34,51H2,(H,52,58)(H,53,62)(H,54,63)(H,55,59)(H,56,64)/b21-20+/t41-,42-,50-/m0/s1","","2022-01-10","2022-08-19","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","2022-08-24"],["0O6","(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]","C64 H88 N14 O8","O=C9N1C(CCC1C(=O)NC(c2ccccc2)c3nnn(c3)CCCCc4ccc(cc4)CCCCn5nnc(c5)C(c6ccccc6)NC(=O)C8N7C(=O)C(NC(=O)C(NC)CC)C(CO)CCC7CC8)CCC(CO)C9NC(=O)C(NC)CC;CC[CH](NC)C(=O)N[CH]1[CH](CO)CC[CH]2CC[CH](N2C1=O)C(=O)N[CH](c3ccccc3)c4cn(CCCCc5ccc(CCCCn6cc(nn6)[CH](NC(=O)[CH]7CC[CH]8CC[CH](CO)[CH](NC(=O)[CH](CC)NC)C(=O)N78)c9ccccc9)cc5)nn4;CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)C(c7ccccc7)NC(=O)C8CCC9N8C(=O)C(C(CC9)CO)NC(=O)C(CC)NC)CO)NC","InChI=1S/C64H88N14O8/c1-5-49(65-3)59(81)69-57-45(39-79)27-29-47-31-33-53(77(47)63(57)85)61(83)67-55(43-19-9-7-10-20-43)51-37-75(73-71-51)35-15-13-17-41-23-25-42(26-24-41)18-14-16-36-76-38-52(72-74-76)56(44-21-11-8-12-22-44)68-62(84)54-34-32-48-30-28-46(40-80)58(64(86)78(48)54)70-60(82)50(6-2)66-4/h7-12,19-26,37-38,45-50,53-58,65-66,79-80H,5-6,13-18,27-36,39-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)/t45-,46-,47+,48+,49+,50+,53+,54+,55+,56+,57+,58+/m1/s1","","2012-03-29","2012-11-30","(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide] (non-preferred name)","2012-11-30"],["I45","3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide","C22 H19 Br F2 N2 O3","Fc1ccc(c(F)c1)COC=3C=C(N(c2c(ccc(C(=O)NC)c2)C)C(=O)C=3Br)C;CNC(=O)c1ccc(C)c(c1)N2C(=CC(=C(Br)C2=O)OCc3ccc(F)cc3F)C;Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC","InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)","","2009-05-28","2011-06-04","3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide",""],["0O7","8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide","C18 H17 N3 O2 S","O=S2(=O)c1cnnc1c4c(N2C)ccc(c3ccc(cc3)CC)c4;CCc1ccc(cc1)c2ccc3N(C)[S](=O)(=O)c4c[nH]nc4c3c2;CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C","InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)","","2012-03-29","2012-08-17","8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide",""],["I46","2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine","C14 H9 F2 N3","Fc3nccc(c2nncc2c1ccc(F)cc1)c3;Fc1ccc(cc1)c2c[nH]nc2c3ccnc(F)c3;c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F","InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)","","2009-05-27","2011-06-04","2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine",""],["0O8","(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate","C25 H53 N O4 P","O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCO[P](O)(=O)OC1CC[N+](C)(C)CC1;CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)C","InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1","PERIFOSINE","2012-03-29","2020-06-17","4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium","2012-10-26"],["I47","2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol","C20 H20 Cl N5 O2","O=C(N4CCC(c2nnc(c1ccc(Cl)cc1)c2c3ncncc3)CC4)CO;OCC(=O)N1CCC(CC1)c2n[nH]c(c3ccc(Cl)cc3)c2c4ccncn4;c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl","InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)","","2009-05-27","2011-06-04","2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol",""],["I48","N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE","C20 H22 N3 O3 S","O=S(=O)(c1ccccc1)Nc3cc(cc(OCCNc2cc[nH+]cc2)c3)C;Cc1cc(N[S](=O)(=O)c2ccccc2)cc(OCCNc3cc[nH+]cc3)c1;Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3","InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1","","1999-07-08","2011-06-04","4-[(2-{3-methyl-5-[(phenylsulfonyl)amino]phenoxy}ethyl)amino]pyridinium",""],["0O9","(2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate","C32 H65 O10 P","O=P(O)(OC1C(OCC(C)C)CC(O)C(O)C1O)OCC(OC)COCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)C[CH]1OCC(C)C)OC;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC(C)C)OC","InChI=1S/C32H65O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-24-27(38-4)25-41-43(36,37)42-32-29(40-23-26(2)3)22-28(33)30(34)31(32)35/h26-35H,5-25H2,1-4H3,(H,36,37)/t27-,28-,29-,30+,31+,32-/m0/s1","","2012-03-29","2012-10-26","(2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate","2012-10-26"],["0OA","(1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen\n(S)-phosphate","C35 H69 O10 P","O=P(O)(OC2C(OCC1CCCCC1)CC(O)C(O)C2O)OCC(OC)COCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)C[CH]1OCC2CCCCC2)OC;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC","InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31+,32+,33-,34+,35+/m1/s1","phosphatidylinositol ether lipid analogue 24 (PIA24)","2012-03-30","2020-06-17","(1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate","2012-10-26"],["I49","1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine","C10 H13 Cl I N5","NC(=N)NC(=N)NCCc1ccc(I)c(Cl)c1;c1cc(c(cc1CCNC(=N)NC(=N)N)Cl)I","InChI=1S/C10H13ClIN5/c11-7-5-6(1-2-8(7)12)3-4-16-10(15)17-9(13)14/h1-2,5H,3-4H2,(H6,13,14,15,16,17)","","2022-02-10","2023-02-03","1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine","2023-02-08"],["I4A","5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid","C22 H22 N2 O3","O=C(N)c1cc(ccc1)Cn2c4c(c3c2CCCCC3)cccc4C(=O)O;NC(=O)c1cccc(Cn2c3CCCCCc3c4cccc(C(O)=O)c24)c1;c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3","InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)","","2009-01-13","2011-06-04","5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid",""],["0OB","3-(1-benzothiophen-2-yl)propanoic acid","C11 H10 O2 S","O=C(O)CCc2sc1ccccc1c2;OC(=O)CCc1sc2ccccc2c1;c1ccc2c(c1)cc(s2)CCC(=O)O","InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)","","2012-03-30","2024-09-27","3-(1-benzothiophen-2-yl)propanoic acid","2012-10-05"],["I4B","ISOBUTYLBENZENE","C10 H14","c1ccccc1CC(C)C;CC(C)Cc1ccccc1;CC(C)Cc1ccccc1","InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3","","1999-07-08","2011-06-04","(2-methylpropyl)benzene",""],["0OC","N,N-dimethylthiophene-3-sulfonamide","C6 H9 N O2 S2","O=S(=O)(N(C)C)c1ccsc1;CN(C)[S](=O)(=O)c1cscc1;CN(C)S(=O)(=O)c1ccsc1","InChI=1S/C6H9NO2S2/c1-7(2)11(8,9)6-3-4-10-5-6/h3-5H,1-2H3","","2012-04-02","2013-03-08","N,N-dimethylthiophene-3-sulfonamide","2013-03-13"],["0OD","trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)","C21 H32 Cl3 N3 O2 Rh S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCc37c4(C)c5(C)c6(C)C3(C)[Rh+]4567(Cl)(Cl)Cl;CC1|2=C|3(C)[C]4(C)C|5(=C1(C)|[Rh+]|2|34|5(Cl)(Cl)Cl)CCNC(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]67;CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C","InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20;;;;/h17-18,20H,5-11H2,1-4H3,(H,22,25)(H2,23,24,26);3*1H;/q;;;;+4/p-3/t17-,18-,20-;;;;/m0..../s1","[Cp*(Biot-methylene)RhCl(H2O)2]+","2012-08-21","2021-03-01","trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)","2013-02-08"],["I4D","D-MYO-INOSITOL-4-PHOSPHATE","C6 H13 O9 P","O=P(O)(OC1C(O)C(O)C(O)C(O)C1O)O;O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O;C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1","","2011-11-04","2014-09-05","(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate",""],["I4F","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","C41 H51 N7 O8","NCCOCCNC(=O)C1CCNC(=O)C=CC(=O)N2CCCC(Cc3ccccc3)(C2)C(=O)NC(Cc2ccco2)C(=O)NCc2ccccc2CC(=O)N1;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4occc4)C(=O)NCc5ccccc5CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccco5)C(=O)NCCOCCN","InChI=1S/C41H51N7O8/c42-17-22-55-23-19-44-38(52)33-15-18-43-35(49)13-14-37(51)48-20-7-16-41(28-48,26-29-8-2-1-3-9-29)40(54)47-34(25-32-12-6-21-56-32)39(53)45-27-31-11-5-4-10-30(31)24-36(50)46-33/h1-6,8-14,21,33-34H,7,15-20,22-28,42H2,(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,54)/b14-13+/t33-,34-,41-/m0/s1","","2022-01-10","2022-08-19","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","2022-08-24"],["0OE","4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid","C29 H23 Cl N6 O2","O=C(O)c1ccc(cc1)c3cc2nc(n(c2cc3)CCCn4ccnc4)c6c(c5cccc(Cl)c5)nnc6;OC(=O)c1ccc(cc1)c2ccc3n(CCCn4ccnc4)c(nc3c2)c5cn[nH]c5c6cccc(Cl)c6;c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O","InChI=1S/C29H23ClN6O2/c30-23-4-1-3-22(15-23)27-24(17-32-34-27)28-33-25-16-21(19-5-7-20(8-6-19)29(37)38)9-10-26(25)36(28)13-2-12-35-14-11-31-18-35/h1,3-11,14-18H,2,12-13H2,(H,32,34)(H,37,38)","","2012-04-03","2012-04-20","4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid",""],["0OF","(3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione","C29 H22 F3 N3 O3","FC(F)(F)c5ccc1c(N(C(=O)C(C(=O)N1CC)c3cc(c2cccnc2)cc(O)c3)c4ccccc4)c5;CCN1C(=O)[CH](C(=O)N(c2ccccc2)c3cc(ccc13)C(F)(F)F)c4cc(O)cc(c4)c5cccnc5;CCN1c2ccc(cc2N(C(=O)C(C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F","InChI=1S/C29H22F3N3O3/c1-2-34-24-11-10-21(29(30,31)32)16-25(24)35(22-8-4-3-5-9-22)28(38)26(27(34)37)20-13-19(14-23(36)15-20)18-7-6-12-33-17-18/h3-17,26,36H,2H2,1H3/t26-/m0/s1","","2012-04-03","2012-04-20","(3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione",""],["I4G","N-(2-methylpropyl)glycine","C6 H13 N O2","O=C(O)CNCC(C)C;CC(C)CNCC(O)=O;CC(C)CNCC(=O)O","InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)","","2014-04-04","2024-09-27","N-(2-methylpropyl)glycine","2014-07-23"],["0OG","3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid","C30 H25 N5 O5","O=C(O)c1cc(c(O)cc1)c5nc4c(ccc(n2nc(cc2c3oc(cc3)C)CC)c4)n5CC=6C=CC(=O)NC=6;CCc1cc(n(n1)c2ccc3n(CC4=CNC(=O)C=C4)c(nc3c2)c5cc(ccc5O)C(O)=O)c6oc(C)cc6;CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C","InChI=1S/C30H25N5O5/c1-3-20-13-25(27-10-4-17(2)40-27)35(33-20)21-7-8-24-23(14-21)32-29(22-12-19(30(38)39)6-9-26(22)36)34(24)16-18-5-11-28(37)31-15-18/h4-15,36H,3,16H2,1-2H3,(H,31,37)(H,38,39)","","2012-04-03","2012-04-20","3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid",""],["I4H","~{N}-ethyl-4-methyl-3-nitro-benzamide","C10 H12 N2 O3","CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O;CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C","InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)","","2022-02-10","2022-08-22","~{N}-ethyl-4-methyl-3-nitro-benzamide","2022-04-27"],["0OH","North-methanocarba-2'-deoxyadenosine triphosphate","C12 H18 N5 O11 P3","Nc1ncnc2n(cnc12)[CH]3C[CH](O)[C]4(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]34;c1nc(c2c(n1)n(cn2)C3CC(C4(C3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C12H18N5O11P3/c13-10-9-11(15-4-14-10)17(5-16-9)7-1-8(18)12(2-6(7)12)3-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-8,18H,1-3H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t6-,7+,8+,12+/m1/s1","","2012-04-03","2012-06-08","[[(1S,2S,4S,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-bicyclo[3.1.0]hexanyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",""],["I4I","3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide","C26 H32 N4 O8","O=C1OC(C(C(=O)NC(C(O)C(C(=O)OC1C(C)C)C)Cc2cccnc2)NC(=O)c3ncccc3O)C;CC(C)[CH]1OC(=O)[CH](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3ncccc3O)[CH](C)OC1=O;CC1C(C(NC(=O)C(C(OC(=O)C(OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O","InChI=1S/C26H32N4O8/c1-13(2)22-26(36)37-15(4)19(30-24(34)20-18(31)8-6-10-28-20)23(33)29-17(11-16-7-5-9-27-12-16)21(32)14(3)25(35)38-22/h5-10,12-15,17,19,21-22,31-32H,11H2,1-4H3,(H,29,33)(H,30,34)/t14-,15-,17+,19+,21+,22-/m1/s1","","2013-03-27","2013-11-29","3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide","2013-12-04"],["I4L","(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid","C24 H22 N2 O12 S","OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)CC(CC(=O)O)(C(=O)O)O","InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1","","2022-02-10","2022-08-22","(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid","2022-04-06"],["0OI","N-(2-fluorophenyl)-N'-methylurea","C8 H9 F N2 O","O=C(Nc1ccccc1F)NC;CNC(=O)Nc1ccccc1F;CNC(=O)Nc1ccccc1F","InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)","","2021-06-14","2021-09-03","N-(2-fluorophenyl)-N'-methylurea","2021-09-08"],["0OJ","South-methanocarba-2'-deoxyadenosine triphosphate","C12 H18 N5 O11 P3","Nc1ncnc2n(cnc12)[C]34C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3C4;c1nc(c2c(n1)n(cn2)C34CC3C(C(C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N","InChI=1S/C12H18N5O11P3/c13-10-9-11(15-4-14-10)17(5-16-9)12-1-7(12)6(8(18)2-12)3-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-8,18H,1-3H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t6-,7-,8-,12-/m0/s1","","2012-04-03","2012-06-08","[[(1S,2R,3S,5S)-5-(6-aminopurin-9-yl)-3-oxidanyl-2-bicyclo[3.1.0]hexanyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",""],["I4M","8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene","C20 H25 N3 O3","CN1CCCCN2c3ccncc3Oc4ccc(OCCOCC1)cc24;CN1CCCCN2c3ccncc3Oc4c2cc(cc4)OCCOCC1","InChI=1S/C20H25N3O3/c1-22-8-2-3-9-23-17-6-7-21-15-20(17)26-19-5-4-16(14-18(19)23)25-13-12-24-11-10-22/h4-7,14-15H,2-3,8-13H2,1H3","","2022-06-02","2022-07-08","","2022-07-13"],["0OK","3-phenylquinazolin-4(3H)-one","C14 H10 N2 O","O=C1c3ccccc3N=CN1c2ccccc2;O=C1N(C=Nc2ccccc12)c3ccccc3;c1ccc(cc1)N2C=Nc3ccccc3C2=O","InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H","","2012-04-03","2012-11-30","3-phenylquinazolin-4(3H)-one","2012-11-30"],["I4O","Histidine oxo-vanadium complex","C6 H8 N3 O6 V","N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O;c1c(ncn1[V](=O)([O-])([O-])[O-])CC(C(=O)O)N","InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4;;;;;/h2-3,5H,1,7H2,(H2,8,9,10,11);;;;;/q;;3*-1;+1/p-1/t5-;;;;;/m0...../s1","[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium","2022-02-11","2024-09-27","[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium","2023-02-01"],["0OL","phenyl(piperidin-1-yl)methanone","C12 H15 N O","O=C(c1ccccc1)N2CCCCC2;O=C(N1CCCCC1)c2ccccc2;c1ccc(cc1)C(=O)N2CCCCC2","InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2","","2012-04-03","2012-11-30","phenyl(piperidin-1-yl)methanone","2012-11-30"],["I4P","(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE","C6 H16 O18 P4","O=P(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+","","2005-03-18","2011-06-04","(1R,2R,3r,4S,5S,6s)-3,6-dihydroxycyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]",""],["I4Q","ethyl (2~{S})-2-benzamido-5-carbamimidamido-pentanoate","C15 H22 N4 O3","CCOC(=O)[CH](CCCNC(N)=N)NC(=O)c1ccccc1;CCOC(=O)C(CCCNC(=N)N)NC(=O)c1ccccc1","InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)/t12-/m0/s1","","2022-06-03","2024-08-09","ethyl (2~{S})-2-benzamido-5-carbamimidamido-pentanoate","2024-08-14"],["0OM","benzyl pyridine-3-carboxylate","C13 H11 N O2","O=C(OCc1ccccc1)c2cccnc2;O=C(OCc1ccccc1)c2cccnc2;c1ccc(cc1)COC(=O)c2cccnc2","InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2","Benzyl nicotinate","2012-04-03","2021-03-01","benzyl pyridine-3-carboxylate","2012-11-30"],["0ON","N-phenylpyridine-3-carboxamide","C12 H10 N2 O","O=C(Nc1ccccc1)c2cccnc2;O=C(Nc1ccccc1)c2cccnc2;c1ccc(cc1)NC(=O)c2cccnc2","InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)","N-phenylnicotinamide","2012-04-03","2021-03-01","N-phenylpyridine-3-carboxamide","2012-11-30"],["I4R","3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)pentanedioic acid","C54 H63 N7 O11","O=C(O)CC(CC(=O)O)c1ccc(cc1)c1ccc(cc1)CC1NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4ccc(cc4)c5ccc(cc5)C(CC(O)=O)CC(O)=O)C(=O)NCc6ccccc6CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccc(cc5)c6ccc(cc6)C(CC(=O)O)CC(=O)O)C(=O)NCCOCCN","InChI=1S/C54H63N7O11/c55-23-27-72-28-25-57-51(69)44-21-24-56-46(62)19-20-48(64)61-26-6-22-54(35-61,33-37-7-2-1-3-8-37)53(71)60-45(52(70)58-34-42-10-5-4-9-41(42)30-47(63)59-44)29-36-11-13-38(14-12-36)39-15-17-40(18-16-39)43(31-49(65)66)32-50(67)68/h1-5,7-20,43-45H,6,21-35,55H2,(H,56,62)(H,57,69)(H,58,70)(H,59,63)(H,60,71)(H,65,66)(H,67,68)/b20-19+/t44-,45-,54-/m0/s1","","2022-01-11","2022-08-19","3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)pentanedioic acid","2022-08-24"],["0OO","(3-phenoxyphenyl)methanol","C13 H12 O2","O(c1ccccc1)c2cc(ccc2)CO;OCc1cccc(Oc2ccccc2)c1;c1ccc(cc1)Oc2cccc(c2)CO","InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2","","2012-04-03","2012-11-30","(3-phenoxyphenyl)methanol","2012-11-30"],["I4S","3,6-dimethyl-2~{H}-1,2,4-triazin-5-one","C5 H7 N3 O","CC1=NC(=O)C(=NN1)C;CC1=NNC(=NC1=O)C","InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9)","","2022-02-11","2022-08-22","3,6-dimethyl-2~{H}-1,2,4-triazin-5-one","2022-03-02"],["I4U","4-isopropyl, uridine-5'-monophosphate","C12 H19 N2 O9 P","CC(C)OC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CC(C)OC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C12H19N2O9P/c1-6(2)22-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)5-21-24(18,19)20/h3-4,6-7,9-11,15-16H,5H2,1-2H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propan-2-yloxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["0OP","[3-(benzyloxy)phenyl]methanol","C14 H14 O2","O(c1cc(ccc1)CO)Cc2ccccc2;OCc1cccc(OCc2ccccc2)c1;c1ccc(cc1)COc2cccc(c2)CO","InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2","","2012-04-03","2012-11-30","[3-(benzyloxy)phenyl]methanol","2012-11-30"],["0OQ","(1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","C19 H17 F3 N2 O2","FC(F)(F)c1ccc(cc1)C(=O)N4CC3CN2C(=O)C=CC=C2C(C3)C4;FC(F)(F)c1ccc(cc1)C(=O)N2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3;c1cc(ccc1C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)C(F)(F)F","InChI=1S/C19H17F3N2O2/c20-19(21,22)15-6-4-13(5-7-15)18(26)23-9-12-8-14(11-23)16-2-1-3-17(25)24(16)10-12/h1-7,12,14H,8-11H2/t12-,14+/m0/s1","","2012-04-03","2012-11-30","(1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","2012-11-30"],["I4V","[(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid","C53 H61 N7 O11","O=C(O)C(Cc1ccc(cc1)c1ccc(cc1)CC1NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1)C(=O)O;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4ccc(cc4)c5ccc(CC(C(O)=O)C(O)=O)cc5)C(=O)NCc6ccccc6CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccc(cc5)c6ccc(cc6)CC(C(=O)O)C(=O)O)C(=O)NCCOCCN","InChI=1S/C53H61N7O11/c54-23-27-71-28-25-56-48(64)43-21-24-55-45(61)19-20-47(63)60-26-6-22-53(34-60,32-37-7-2-1-3-8-37)52(70)59-44(49(65)57-33-41-10-5-4-9-40(41)31-46(62)58-43)30-36-13-17-39(18-14-36)38-15-11-35(12-16-38)29-42(50(66)67)51(68)69/h1-5,7-20,42-44H,6,21-34,54H2,(H,55,61)(H,56,64)(H,57,65)(H,58,62)(H,59,70)(H,66,67)(H,68,69)/b20-19+/t43-,44-,53-/m0/s1","","2022-01-11","2022-08-19","[(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid","2022-08-24"],["I4X","6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C11 H11 N3 S","CC(C)c1ccc2n3cnnc3sc2c1;CC(C)c1ccc2c(c1)sc3n2cnn3","InChI=1S/C11H11N3S/c1-7(2)8-3-4-9-10(5-8)15-11-13-12-6-14(9)11/h3-7H,1-2H3","","2022-02-11","2023-01-20","6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["0OR","N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide","C9 H20 N2 O10 P2","O=P(O)(O)OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)N)O;CC(C)(CO[P](O)(=O)O[P](O)(O)=O)[CH](O)C(=O)NCCC(N)=O;CC(C)(COP(=O)(O)OP(=O)(O)O)C(C(=O)NCCC(=O)N)O","InChI=1S/C9H20N2O10P2/c1-9(2,5-20-23(18,19)21-22(15,16)17)7(13)8(14)11-4-3-6(10)12/h7,13H,3-5H2,1-2H3,(H2,10,12)(H,11,14)(H,18,19)(H2,15,16,17)/t7-/m0/s1","","2012-08-20","2013-03-15","N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide","2013-03-20"],["I4Y","Sulisobenzone","C14 H12 O6 S","COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2;COc1cc(c(cc1S(=O)(=O)O)C(=O)c2ccccc2)O","InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)","2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid","2022-06-07","2024-11-12","2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid","2024-04-24"],["0OS","{3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid","C31 H33 Cl2 N O9 S","O=S(=O)(c1cc(Cl)cc(Cl)c1)N4C(C(=O)OC(c2cccc(OCC(=O)O)c2)CCc3ccc(OC)c(OC)c3)CCCC4;COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)c4cccc(OCC(O)=O)c4)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl","InChI=1S/C31H33Cl2NO9S/c1-40-28-12-10-20(14-29(28)41-2)9-11-27(21-6-5-7-24(15-21)42-19-30(35)36)43-31(37)26-8-3-4-13-34(26)44(38,39)25-17-22(32)16-23(33)18-25/h5-7,10,12,14-18,26-27H,3-4,8-9,11,13,19H2,1-2H3,(H,35,36)/t26-,27-/m0/s1","","2012-04-04","2012-04-13","{3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid",""],["I4Z","3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)prop-2-ynoic acid","C52 H57 N7 O9","O=C(O)C#Cc1ccc(cc1)c1ccc(cc1)CC1NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1;NCCOCCNC(=O)[CH]1CCNC(=O)C=CC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4ccc(cc4)c5ccc(cc5)C#CC(O)=O)C(=O)NCc6ccccc6CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccc(cc5)c6ccc(cc6)C#CC(=O)O)C(=O)NCCOCCN","InChI=1S/C52H57N7O9/c53-25-29-68-30-27-55-49(65)43-23-26-54-45(60)20-21-47(62)59-28-6-24-52(35-59,33-38-7-2-1-3-8-38)51(67)58-44(50(66)56-34-42-10-5-4-9-41(42)32-46(61)57-43)31-37-13-18-40(19-14-37)39-16-11-36(12-17-39)15-22-48(63)64/h1-5,7-14,16-21,43-44H,6,23-35,53H2,(H,54,60)(H,55,65)(H,56,66)(H,57,61)(H,58,67)(H,63,64)/b21-20+/t43-,44-,52-/m0/s1","","2022-01-11","2022-08-19","3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)prop-2-ynoic acid","2022-08-24"],["0OT","2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one","C21 H23 Br2 N3 O2","Brc1cc(c(OCC)c(Br)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3;CCOc1c(Br)cc(Br)cc1CNCCCNC2=CC(=O)c3ccccc3N2;CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2","InChI=1S/C21H23Br2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)","","2012-04-04","2012-09-07","2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one","2012-09-07"],["I50","N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide","C19 H21 Cl F3 N5 O2","Clc1ccc(c(F)c1CC(=O)NCCONC(=[N@H])N)NCC(F)(F)c2ccccc2;NC(=N)NOCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccccc2)ccc1Cl;[H]N=C(N)NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl","InChI=1S/C19H21ClF3N5O2/c20-14-6-7-15(27-11-19(22,23)12-4-2-1-3-5-12)17(21)13(14)10-16(29)26-8-9-30-28-18(24)25/h1-7,27H,8-11H2,(H,26,29)(H4,24,25,28)","","2007-08-29","2011-06-04","N-[2-(carbamimidamidooxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide",""],["0OU","2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one","C19 H19 Cl2 N3 O","Clc1cc(cc(Cl)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3;Clc1cc(Cl)cc(CNCCCNC2=CC(=O)c3ccccc3N2)c1;c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl","InChI=1S/C19H19Cl2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)","","2012-04-04","2012-09-07","2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one","2012-09-07"],["0OV","[4-amino-2-{[(1S,2R)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitrile","C16 H19 N5 O2","O=C3c1c(nc(nc1N)OC2CCCCC2C)N(C=C3)CC#N;C[CH]1CCCC[CH]1Oc2nc(N)c3C(=O)C=CN(CC#N)c3n2;CC1CCCCC1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N","InChI=1S/C16H19N5O2/c1-10-4-2-3-5-12(10)23-16-19-14(18)13-11(22)6-8-21(9-7-17)15(13)20-16/h6,8,10,12H,2-5,9H2,1H3,(H2,18,19,20)/t10-,12+/m1/s1","","2012-04-04","2013-03-29","[4-amino-2-{[(1S,2R)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitrile","2013-04-03"],["I51","6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","C9 H12 N2 O4","O=C1NC(C=C(/CO)CO)=C(C(=O)N1)C;CC1=C(NC(=O)NC1=O)C=C(CO)CO;CC1=C(NC(=O)NC1=O)C=C(CO)CO","InChI=1S/C9H12N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h2,12-13H,3-4H2,1H3,(H2,10,11,14,15)","","2013-01-24","2013-02-01","6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","2013-02-01"],["0OW","4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide","C15 H22 N4 O4","O=C(c3c(OC1CCCC1O)nc(OC2CCCC2)nc3N)N;NC(=O)c1c(N)nc(OC2CCCC2)nc1O[CH]3CCC[CH]3O;C1CCC(C1)Oc2nc(c(c(n2)OC3CCCC3O)C(=O)N)N","InChI=1S/C15H22N4O4/c16-12-11(13(17)21)14(23-10-7-3-6-9(10)20)19-15(18-12)22-8-4-1-2-5-8/h8-10,20H,1-7H2,(H2,17,21)(H2,16,18,19)/t9-,10+/m0/s1","","2012-04-04","2013-03-29","4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide","2013-04-03"],["I52","N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE","C29 H42 N4 O6 S","O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C;CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N(CCN3CCOCC3)[CH](C(C)C)C(=O)NO;CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(C)C)C(=O)NO","InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1","SC-74020","2000-12-19","2021-03-01","N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide",""],["0OX","4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide","C10 H14 N4 O2","O=C(c2cnc(OC1CCCC1)nc2N)N;NC(=O)c1cnc(OC2CCCC2)nc1N;c1c(c(nc(n1)OC2CCCC2)N)C(=O)N","InChI=1S/C10H14N4O2/c11-8-7(9(12)15)5-13-10(14-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,15)(H2,11,13,14)","","2012-04-04","2013-03-29","4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide","2013-04-03"],["I53","2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol","C21 H23 Cl2 N5 O","OCCn1c(CNCCCNc2[nH]c3ccccc3n2)cc4c(Cl)cc(Cl)cc14;c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl","InChI=1S/C21H23Cl2N5O/c22-14-10-17(23)16-12-15(28(8-9-29)20(16)11-14)13-24-6-3-7-25-21-26-18-4-1-2-5-19(18)27-21/h1-2,4-5,10-12,24,29H,3,6-9,13H2,(H2,25,26,27)","","2015-10-23","2017-04-07","2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol","2017-04-12"],["0OY","(4-hydroxyphenyl)(morpholin-4-yl)methanone","C11 H13 N O3","O=C(c1ccc(O)cc1)N2CCOCC2;Oc1ccc(cc1)C(=O)N2CCOCC2;c1cc(ccc1C(=O)N2CCOCC2)O","InChI=1S/C11H13NO3/c13-10-3-1-9(2-4-10)11(14)12-5-7-15-8-6-12/h1-4,13H,5-8H2","","2012-04-04","2012-05-18","(4-hydroxyphenyl)(morpholin-4-yl)methanone",""],["I54","(1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H30 Cl N3 O8 S","CC(C)CC(NC(=O)OCc1ccccc1Cl)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1ccccc1Cl)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2Cl","InChI=1S/C21H30ClN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,12-13,16-17,20,28H,7-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20?/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-05-04"],["I55","[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate","C15 H25 N7 O8","NCC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2;C1C(C2C(C(=O)N1)NC(=NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CN)N2)O","InChI=1S/C15H25N7O8/c16-1-6(25)19-9-10(26)11(30-14(17)28)5(3-23)29-13(9)22-15-20-7-4(24)2-18-12(27)8(7)21-15/h4-5,7-11,13,23-24,26H,1-3,16H2,(H2,17,28)(H,18,27)(H,19,25)(H2,20,21,22)/t4-,5-,7-,8+,9-,10+,11+,13-/m1/s1","","2022-06-09","2023-05-26","[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate","2023-05-31"],["0P0","N-[(4R)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine","C10 H18 N3 O6 S","O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS;[NH3+][CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)[NH3+]","InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1","glutathione","2008-11-13","2012-01-11","N-[(4S)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine",""],["0P1","N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl\n}-L-alaninamide","C29 H40 N3 O9 P","O=C(OC)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)CC(C)C)Cc2ccccc2;COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](C)NC(=O)[CH](C)NC(=O)OCc2ccccc2;CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1)P(=O)(O)OC(Cc2ccccc2)C(=O)OC","InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1","Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe","2008-10-27","2020-06-17","N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamide",""],["I56","4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid","C51 H59 N7 O9","O=C(O)c1ccc(c(C)c1)c1ccc(cc1)CC1NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1;Cc1cc(ccc1c2ccc(C[CH]3NC(=O)[C]4(CCC[N](C4)C(=O)C=CC(=O)NCC[CH](NC(=O)Cc5ccccc5CNC3=O)C(=O)NCCOCCN)Cc6ccccc6)cc2)C(O)=O;Cc1cc(ccc1c2ccc(cc2)CC3C(=O)NCc4ccccc4CC(=O)NC(CCNC(=O)C=CC(=O)N5CCCC(C5)(C(=O)N3)Cc6ccccc6)C(=O)NCCOCCN)C(=O)O","InChI=1S/C51H59N7O9/c1-34-28-39(49(64)65)16-17-41(34)37-14-12-35(13-15-37)29-43-48(63)55-32-40-11-6-5-10-38(40)30-45(60)56-42(47(62)54-24-27-67-26-22-52)20-23-53-44(59)18-19-46(61)58-25-7-21-51(33-58,50(66)57-43)31-36-8-3-2-4-9-36/h2-6,8-19,28,42-43H,7,20-27,29-33,52H2,1H3,(H,53,59)(H,54,62)(H,55,63)(H,56,60)(H,57,66)(H,64,65)/b19-18+/t42-,43-,51-/m0/s1","","2022-01-11","2022-08-19","4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid","2022-08-24"],["I57","2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en\nonic acid","C21 H26 N4 O7","CC(C)C(=O)N[CH]1[CH](OC(=C[CH]1n2cc(nn2)c3ccccc3)C(O)=O)[CH](O)[CH](O)CO;CC(C)C(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3","InChI=1S/C21H26N4O7/c1-11(2)20(29)22-17-14(25-9-13(23-24-25)12-6-4-3-5-7-12)8-16(21(30)31)32-19(17)18(28)15(27)10-26/h3-9,11,14-15,17-19,26-28H,10H2,1-2H3,(H,22,29)(H,30,31)/t14-,15+,17+,18+,19+/m0/s1","(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro\npyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid","2016-07-21","2020-07-17","(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro\npyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid","2017-07-12"],["0P2","N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide","C16 H25 B N2 O5","O=C(NC(B(O)O)C(C)CC)C(NC(=O)OCc1ccccc1)C;CC[CH](C)[CH](NC(=O)[CH](C)NC(=O)OCc1ccccc1)B(O)O;B(C(C(C)CC)NC(=O)C(C)NC(=O)OCc1ccccc1)(O)O","InChI=1S/C16H25BN2O5/c1-4-11(2)14(17(22)23)19-15(20)12(3)18-16(21)24-10-13-8-6-5-7-9-13/h5-9,11-12,14,22-23H,4,10H2,1-3H3,(H,18,21)(H,19,20)/t11-,12-,14-/m0/s1","ZAIB","2008-09-14","2024-09-27","N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide",""],["I58","4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE","C8 H16 F N3 O2","FC(CCNC(=[N@H])C)CC(N)C(=O)O;CC(=N)NCC[CH](F)C[CH](N)C(O)=O;[H]N=C(C)NCCC(CC(C(=O)O)N)F","InChI=1S/C8H16FN3O2/c1-5(10)12-3-2-6(9)4-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m1/s1","","2003-10-28","2011-06-04","(4R)-N~6~-[(1Z)-ethanimidoyl]-4-fluoro-L-lysine",""],["0P4","N-(1H-benzimidazol-2-yl)-N'-(3,5-dichlorobenzyl)propane-1,3-diamine","C17 H18 Cl2 N4","Clc1cc(cc(Cl)c1)CNCCCNc3nc2ccccc2n3;Clc1cc(Cl)cc(CNCCCNc2[nH]c3ccccc3n2)c1;c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl","InChI=1S/C17H18Cl2N4/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17-22-15-4-1-2-5-16(15)23-17/h1-2,4-5,8-10,20H,3,6-7,11H2,(H2,21,22,23)","","2012-04-05","2012-09-07","N-(1H-benzimidazol-2-yl)-N'-(3,5-dichlorobenzyl)propane-1,3-diamine","2012-09-07"],["0P5","4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one","C23 H22 Cl N7 O3","Clc5cc(OC)ccc5Oc3nc(nc(NCc2nc1ccccc1n2)c3)N4CC(=O)NCC4;COc1ccc(Oc2cc(NCc3[nH]c4ccccc4n3)nc(n2)N5CCNC(=O)C5)c(Cl)c1;COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4","InChI=1S/C23H22ClN7O3/c1-33-14-6-7-18(15(24)10-14)34-22-11-19(29-23(30-22)31-9-8-25-21(32)13-31)26-12-20-27-16-4-2-3-5-17(16)28-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,25,32)(H,27,28)(H,26,29,30)","","2012-04-05","2012-09-07","4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one","2012-09-07"],["I59","HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID","C11 H11 O4 P","O=P(O)(O)C(O)c2cccc1ccccc12;O[CH](c1cccc2ccccc12)[P](O)(O)=O;c1ccc2c(c1)cccc2C(O)P(=O)(O)O","InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1","DPI59","2003-06-20","2020-06-17","[(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid",""],["I5A","5'-deoxy-5'-iodocytidine","C9 H12 I N3 O4","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CI;NC1=NC(=O)N(C=C1)[CH]2O[CH](CI)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CI)O)O","InChI=1S/C9H12IN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1","","2009-10-02","2011-06-04","5'-deoxy-5'-iodocytidine",""],["0P6","2-aminoquinolin-8-ol","C9 H8 N2 O","Oc1cccc2ccc(nc12)N;Nc1ccc2cccc(O)c2n1;c1cc2ccc(nc2c(c1)O)N","InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)","","2012-04-05","2012-09-07","2-aminoquinolin-8-ol","2012-09-07"],["0P8","2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one","C20 H21 Br2 N3 O2","Brc1cc(c(OC)c(Br)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3;COc1c(Br)cc(Br)cc1CNCCCNC2=CC(=O)c3ccccc3N2;COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2","InChI=1S/C20H21Br2N3O2/c1-27-20-13(9-14(21)10-16(20)22)12-23-7-4-8-24-19-11-18(26)15-5-2-3-6-17(15)25-19/h2-3,5-6,9-11,23H,4,7-8,12H2,1H3,(H2,24,25,26)","","2012-04-05","2012-09-07","2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one","2012-09-07"],["I5B","(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone","C19 H21 N5 O2","COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4;CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC","InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)","","2022-02-11","2022-08-22","(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone","2022-03-23"],["0PA","cyclopentylacetic acid","C7 H12 O2","O=C(O)CC1CCCC1;OC(=O)CC1CCCC1;C1CCC(C1)CC(=O)O","InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)","","2008-07-25","2011-06-04","cyclopentylacetic acid",""],["I5C","5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H13 I N3 O7 P","IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1I)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O","InChI=1/C9H13IN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h16-17H,11H2","","2003-07-16","2009-10-06","2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate)",""],["0PC","Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-L-phenylalaninamide","C21 H23 Cl N2 O4","ClCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C;C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)CCl;CC(C(=O)CCl)NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2","InChI=1S/C21H23ClN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1","ZPACK","2008-09-14","2024-09-27","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxobutan-2-yl]-L-phenylalaninamide",""],["I5D","2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide","C19 H17 N5 O2 S","NC(=O)CSc1nc(N)c(C#N)c(c2ccc(OCC3CC3)cc2)c1C#N;c1cc(ccc1c2c(c(nc(c2C#N)SCC(=O)N)N)C#N)OCC3CC3","InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)","","2022-06-09","2023-01-13","2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide","2023-01-18"],["0PF","1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide","C20 H21 N3 O2 S","O=S2(=O)c1cnn(c1c4c(N2C)ccc(c3ccc(cc3)CC)c4)CC;CCn1ncc2c1c3cc(ccc3N(C)[S]2(=O)=O)c4ccc(CC)cc4;CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C","InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3","","2012-04-05","2012-07-20","1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide",""],["I5E","3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid","C52 H63 N7 O9","O=C(O)CCc1ccc(cc1)c1ccc(cc1)CC1NC(=O)C2(CCCN(C2)C(=O)CCC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1;NCCOCCNC(=O)[CH]1CCNC(=O)CCC(=O)[N]2CCC[C](C2)(Cc3ccccc3)C(=O)N[CH](Cc4ccc(cc4)c5ccc(CCC(O)=O)cc5)C(=O)NCc6ccccc6CC(=O)N1;c1ccc(cc1)CC23CCCN(C2)C(=O)CCC(=O)NCCC(NC(=O)Cc4ccccc4CNC(=O)C(NC3=O)Cc5ccc(cc5)c6ccc(cc6)CCC(=O)O)C(=O)NCCOCCN","InChI=1S/C52H63N7O9/c53-25-29-68-30-27-55-49(65)43-23-26-54-45(60)20-21-47(62)59-28-6-24-52(35-59,33-38-7-2-1-3-8-38)51(67)58-44(50(66)56-34-42-10-5-4-9-41(42)32-46(61)57-43)31-37-13-18-40(19-14-37)39-16-11-36(12-17-39)15-22-48(63)64/h1-5,7-14,16-19,43-44H,6,15,20-35,53H2,(H,54,60)(H,55,65)(H,56,66)(H,57,61)(H,58,67)(H,63,64)/t43-,44-,52-/m0/s1","","2022-01-11","2022-08-19","3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid","2022-08-24"],["I5F","[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol","C8 H5 N3 O S","Oc1ccc2n3cnnc3sc2c1;c1cc2c(cc1O)sc3n2cnn3","InChI=1S/C8H5N3OS/c12-5-1-2-6-7(3-5)13-8-10-9-4-11(6)8/h1-4,12H","","2022-02-11","2023-01-20","[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol","2023-01-25"],["0PI","N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine","C21 H33 N2 O8 P","O=C(O)C(NC(=O)C(OP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)O[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O","InChI=1S/C21H33N2O8P/c1-14(2)10-17(20(25)26)23-19(24)18(11-15(3)4)31-32(28,29)13-22-21(27)30-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t17-,18-/m0/s1","ZGP(O)LL","2008-09-14","2020-06-17","N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine",""],["I5G","1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide","C23 H20 Cl2 N4 O3","COc1cc2c(Cl)nccc2cc1C(=O)N[CH]([CH]3C[CH](O)CN3)c4ccc(C#N)c(Cl)c4;COc1cc2c(ccnc2Cl)cc1C(=O)NC(c3ccc(c(c3)Cl)C#N)C4CC(CN4)O","InChI=1S/C23H20Cl2N4O3/c1-32-20-9-16-12(4-5-27-22(16)25)6-17(20)23(31)29-21(19-8-15(30)11-28-19)13-2-3-14(10-26)18(24)7-13/h2-7,9,15,19,21,28,30H,8,11H2,1H3,(H,29,31)/t15-,19+,21-/m0/s1","","2022-06-10","2022-09-23","1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide","2022-09-28"],["0PJ","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine","C21 H34 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O","InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t17-,18-/m0/s1","ZGPLL","2008-09-14","2021-03-01","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine",""],["0PK","N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine","C25 H34 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C)C;CC(C)C[CH](N[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C)C(O)=O","InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22+/m0/s1","ZFPLA","2008-09-14","2021-03-01","N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine",""],["I5H","(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione","C12 H11 N3 O2","O=C1NC(=O)C(N1)Cc2cnc3ccccc23;O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N1;c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(=O)N3","InChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)/t10-/m0/s1","","2014-05-02","2014-06-27","(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione","2014-07-02"],["I5I","2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole","C12 H9 N3 O S","S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3;S=C=Nc1ccc2oc(cc2c1)C3=NCCN3;c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3","InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14)","2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran","2010-12-21","2021-03-01","2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole",""],["0PL","(3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid","C24 H23 Cl N4 O4 S","CN(Cc1cc(ccc1Cl)[CH](CC(O)=O)c2ccc3n(C)nnc3c2)[S](=O)(=O)c4ccccc4;Cn1c2ccc(cc2nn1)C(CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl","InChI=1S/C24H23ClN4O4S/c1-28(34(32,33)19-6-4-3-5-7-19)15-18-12-16(8-10-21(18)25)20(14-24(30)31)17-9-11-23-22(13-17)26-27-29(23)2/h3-13,20H,14-15H2,1-2H3,(H,30,31)/t20-/m0/s1","","2015-11-17","2016-04-08","(3S)-3-[4-chloranyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]-3-(1-methylbenzotriazol-5-yl)propanoic acid","2016-04-13"],["0PO","N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide","C41 H52 N6 O4 S","O=C(c1nc2c(cc1)cccc2)NC(C(=O)NC(C(O)CN4C(C(=O)NC(C)(C)C)CC(SCc3cccnc3)CC4)Cc5ccccc5)C(C)C;CC(C)[CH](NC(=O)c1ccc2ccccc2n1)C(=O)N[CH](Cc3ccccc3)[CH](O)CN4CC[CH](C[CH]4C(=O)NC(C)(C)C)SCc5cccnc5;CC(C)C(C(=O)NC(Cc1ccccc1)C(CN2CCC(CC2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4","InChI=1S/C41H52N6O4S/c1-27(2)37(45-38(49)33-18-17-30-15-9-10-16-32(30)43-33)40(51)44-34(22-28-12-7-6-8-13-28)36(48)25-47-21-19-31(52-26-29-14-11-20-42-24-29)23-35(47)39(50)46-41(3,4)5/h6-18,20,24,27,31,34-37,48H,19,21-23,25-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1","","2008-11-07","2011-07-13","N-[(2S)-1-{[(2S,3R)-4-{(2S,4R)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide",""],["I5J","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","C44 H55 N7 O7","Cc1cccc(c1)CC1NC(=O)C2(CCCN(C2)C(=O)C=CC(=O)NCCC(NC(=O)Cc2ccccc2CNC1=O)C(=O)NCCOCCN)Cc1ccccc1;Cc1cccc(C[CH]2NC(=O)[C]3(CCC[N](C3)C(=O)C=CC(=O)NCC[CH](NC(=O)Cc4ccccc4CNC2=O)C(=O)NCCOCCN)Cc5ccccc5)c1;Cc1cccc(c1)CC2C(=O)NCc3ccccc3CC(=O)NC(CCNC(=O)C=CC(=O)N4CCCC(C4)(C(=O)N2)Cc5ccccc5)C(=O)NCCOCCN","InChI=1S/C44H55N7O7/c1-31-9-7-12-33(25-31)26-37-42(56)48-29-35-14-6-5-13-34(35)27-39(53)49-36(41(55)47-21-24-58-23-19-45)17-20-46-38(52)15-16-40(54)51-22-8-18-44(30-51,43(57)50-37)28-32-10-3-2-4-11-32/h2-7,9-16,25,36-37H,8,17-24,26-30,45H2,1H3,(H,46,52)(H,47,55)(H,48,56)(H,49,53)(H,50,57)/b16-15+/t36-,37-,44-/m0/s1","","2022-01-11","2022-08-19","(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide","2022-08-24"],["I5K","1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one","C16 H18 N2 O","Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N)c3;Cc1c2c(c([nH]1)c3cccc(c3)N)CCCCC2=O","InChI=1S/C16H18N2O/c1-10-15-13(7-2-3-8-14(15)19)16(18-10)11-5-4-6-12(17)9-11/h4-6,9,18H,2-3,7-8,17H2,1H3","","2022-02-11","2023-02-03","1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one","2023-02-08"],["0PP","(2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide","C37 H51 N5 O6","O=C(NC(CC)CC)CC(C(=O)NCC(O)C(NC(=O)C(NC(=O)c1nc2ccccc2cc1)C(O)C)Cc3ccccc3)C(C)(C)C;CCC(CC)NC(=O)C[CH](C(=O)NC[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(=O)c2ccc3ccccc3n2)[CH](C)O)C(C)(C)C;CCC(CC)NC(=O)CC(C(=O)NCC(C(Cc1ccccc1)NC(=O)C(C(C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C","InChI=1S/C37H51N5O6/c1-7-26(8-2)39-32(45)21-27(37(4,5)6)34(46)38-22-31(44)30(20-24-14-10-9-11-15-24)41-36(48)33(23(3)43)42-35(47)29-19-18-25-16-12-13-17-28(25)40-29/h9-19,23,26-27,30-31,33,43-44H,7-8,20-22H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t23-,27+,30+,31-,33+/m1/s1","","2008-11-07","2011-07-13","(2R)-2-tert-butyl-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]-N~4~-(pentan-3-yl)butanediamide",""],["0PQ","N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine","C27 H31 N2 O5 P","O=C(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3ccccc3;N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(O)=O;c1ccc(cc1)CC(CP(=O)(C(Cc2ccccc2)N)O)C(=O)NC(Cc3ccccc3)C(=O)O","InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1","","2008-11-12","2011-06-04","N-{(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine",""],["I5L","(2~{Z},4~{Z})-2-methyl-5-(8-oxidanyldibenzofuran-4-yl)penta-2,4-dienal","C18 H14 O3","CC(C=O)=CC=Cc1cccc2c1oc3ccc(O)cc23;CC(=CC=Cc1cccc2c1oc3c2cc(cc3)O)C=O","InChI=1S/C18H14O3/c1-12(11-19)4-2-5-13-6-3-7-15-16-10-14(20)8-9-17(16)21-18(13)15/h2-11,20H,1H3/b5-2-,12-4-","","2022-06-10","2023-12-08","(2~{Z},4~{Z})-2-methyl-5-(8-oxidanyldibenzofuran-4-yl)penta-2,4-dienal","2023-12-13"],["0PR","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine","C17 H21 N2 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)Cc2ccc(O)cc2;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](Cc2ccc(O)cc2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(Cc2ccc(cc2)O)C(=O)O)O","InChI=1S/C17H21N2O8P/c1-10-16(21)14(12(7-18-10)9-27-28(24,25)26)8-19-15(17(22)23)6-11-2-4-13(20)5-3-11/h2-5,7,15,19-21H,6,8-9H2,1H3,(H,22,23)(H2,24,25,26)/t15-/m0/s1","PHOSPHO-5'-PYRIDOXYL TYROSINE","2008-11-10","2021-03-01","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine","2018-09-19"],["I5M","5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine","C27 H44 N9 O11 P S2","O=P(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CCCN1;CC(C)(CO[P](=O)=O)[CH](O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4CCCN4;CC(C)(COP(=O)=O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C4CCCN4)O","InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16+,17+,20+,21+,22-,26+/m0/s1","","2022-01-13","2024-09-27","5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine","2022-07-20"],["I5N","5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine","C22 H26 F N5","Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5;Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)NC5CCNCC5F","InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1","","2022-02-11","2022-08-22","5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine","2022-03-23"],["0PX","N~1~-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N~2~-(quinolin-2-ylcar\nbonyl)-L-aspartamide","C34 H51 N5 O5","O=C(NCC(C)(C)C)C(C(C)C)CC(O)C(NC(=O)C(NC(=O)c1nc2ccccc2cc1)CC(=O)N)CC3CCCCC3;CC(C)[CH](C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](CC(N)=O)NC(=O)c2ccc3ccccc3n2)C(=O)NCC(C)(C)C;CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C","InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1","U92163","2008-09-14","2020-06-17","N~1~-{(2S,3S,5S)-1-cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methylheptan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide",""],["0PY","pyridine","C5 H5 N","n1ccccc1;c1ccncc1;c1ccncc1","InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H","Azabenzene; Azine","2009-04-09","2020-05-26","pyridine",""],["I5O","{(1R)-2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN){1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl}methyl]-3,5-dimethylpyrrol-1-ido-kappaN}difluoridoboron(1+)","C25 H24 B F2 N4 O2","[O-][N+](=O)c1ccc(cc1)C[n+]1ccc(cc1)C=1c2c(C)cc(C)n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=1;Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2c4cc[n+](Cc5ccc(cc5)[N+]([O-])=O)cc4;[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4cc[n+](cc4)Cc5ccc(cc5)[N+](=O)[O-])C)C)(F)F","InChI=1S/C25H24BF2N4O2/c1-16-13-18(3)30-24(16)23(25-17(2)14-19(4)31(25)26(30,27)28)21-9-11-29(12-10-21)15-20-5-7-22(8-6-20)32(33)34/h5-14H,15H2,1-4H3/q+1","","2022-06-10","2026-04-05","{(1R)-2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN){1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl}methyl]-3,5-dimethylpyrrol-1-ido-kappaN}difluoridoboron(1+)","2023-05-31"],["0PZ","(2R)-2-butyloxirane","C6 H12 O","O1C(CCCC)C1;CCCC[CH]1CO1;CCCCC1CO1","InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3/t6-/m1/s1","","2012-04-05","2013-08-02","(2R)-2-butyloxirane","2013-08-07"],["I5P","INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE","C6 H17 O21 P5","O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5+,6+/m0/s1","","2000-08-04","2011-06-04","(1S,2R,3S,4R,5S,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]",""],["0Q1","(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol","C20 H19 N O2","n4oc(c(c1cc2c(cc1)CCC2(O)c3ccccc3)c4C)C;Cc1onc(C)c1c2ccc3CC[C](O)(c4ccccc4)c3c2;Cc1c(c(on1)C)c2ccc3c(c2)C(CC3)(c4ccccc4)O","InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3/t20-/m1/s1","","2012-08-22","2012-10-12","(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol","2012-10-12"],["I5Q","(2S)-butane-1,2-diol","C4 H10 O2","CCC(O)CO;CC[CH](O)CO;CCC(CO)O","InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1","","2022-01-13","2023-01-13","(2S)-butane-1,2-diol","2023-01-18"],["0Q2","(1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol","C15 H18 N4 O","N1=CCc3c1ncc2nc(n(c23)C4CCCC(O)C4)C;Cc1nc2cnc3N=CCc3c2n1[CH]4CCC[CH](O)C4;Cc1nc2cnc3c(c2n1C4CCCC(C4)O)CC=N3","InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h6,8,10-11,20H,2-5,7H2,1H3/t10-,11-/m1/s1","","2012-04-06","2012-06-29","(1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol",""],["I5R","(2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one","C16 H14 N4 O","O=C2Nc1ncccc1NC2Cc4c3ccccc3nc4;O=C1Nc2ncccc2N[CH]1Cc3c[nH]c4ccccc34;c1ccc2c(c1)c(c[nH]2)CC3C(=O)Nc4c(cccn4)N3","InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1","","2013-02-25","2013-03-15","(2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one","2013-03-20"],["0Q4","N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide","C40 H70 N11 O8","O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C(NCC(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)Cc1ccccc1)CCC(=O)O)C)CCCC;CCCC[CH](NC(=O)[CH](C)NC(=O)[CH](CCC(O)=O)NC(=O)[CH](Cc1ccccc1)NC[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=[NH2+])C(C)C)C(N)=O;CCCCC(C(=O)N)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NCC(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=[NH2+])N)N","InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/p+1/t25-,27-,28-,29-,30-,31-,33-/m0/s1","Inhibitor analogues of CA-p2","2008-09-14","2021-03-01","N-[(2S)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide",""],["I5S","ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE","C20 H22 Cl N3 O3 S","Clc1ccc(cc1)COCCNCCNS(=O)(=O)c2cccc3c2ccnc3;Clc1ccc(COCCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1;c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl","InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2","","2005-09-12","2011-06-04","N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}amino)ethyl]isoquinoline-5-sulfonamide",""],["0Q5","4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide","C36 H44 N4 O5 S Si","O=S(=O)(NC(=O)c5ccc(c1c(n(nc1CO)c2ccccc2)CCCC)c(C(=O)N4Cc3ccccc3CC4)c5)CC[Si](C)(C)C;CCCCc1n(nc(CO)c1c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)N[S](=O)(=O)CC[Si](C)(C)C)c5ccccc5;CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C","InChI=1S/C36H44N4O5SSi/c1-5-6-16-33-34(32(25-41)37-40(33)29-14-8-7-9-15-29)30-18-17-27(35(42)38-46(44,45)21-22-47(2,3)4)23-31(30)36(43)39-20-19-26-12-10-11-13-28(26)24-39/h7-15,17-18,23,41H,5-6,16,19-22,24-25H2,1-4H3,(H,38,42)","","2012-04-09","2012-06-01","4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide",""],["I5T","4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide","C23 H24 N2 O3","O=C1CC2(CCN(CC2)C(=O)N[CH]3C[CH]3c4ccccc4)Oc5ccccc15;c1ccc(cc1)C2CC2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4","InChI=1S/C23H24N2O3/c26-20-15-23(28-21-9-5-4-8-17(20)21)10-12-25(13-11-23)22(27)24-19-14-18(19)16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,24,27)/t18-,19+/m1/s1","","2015-03-08","2015-05-08","4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide","2015-05-13"],["I5U","N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide","C27 H29 N5 O2 S2","N(/c1cc(ccc1)COC(CN)COCc3cccc(NC(=[N@H])c2sccc2)c3)=C(N)c4sccc4;NC[CH](COCc1cccc(NC(=N)c2sccc2)c1)OCc3cccc(c3)N=C(N)c4sccc4;c1cc(cc(c1)NC(=N)c2cccs2)COCC(CN)OCc3cccc(c3)N=C(c4cccs4)N","InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m1/s1","","2014-06-17","2014-08-15","N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide","2014-08-20"],["0Q6","4-[(3-bromophenyl)methoxy]benzamide","C14 H12 Br N O2","NC(=O)c1ccc(OCc2cccc(Br)c2)cc1;c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N","InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17)","","2021-06-09","2021-12-03","4-[(3-bromophenyl)methoxy]benzamide","2021-12-08"],["I5W","(~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid","C22 H18 O3","Cc1ccc(cc1c2cc(C=CC(O)=O)ccc2O)c3ccccc3;Cc1ccc(cc1c2cc(ccc2O)C=CC(=O)O)c3ccccc3","InChI=1S/C22H18O3/c1-15-7-10-18(17-5-3-2-4-6-17)14-19(15)20-13-16(8-11-21(20)23)9-12-22(24)25/h2-14,23H,1H3,(H,24,25)/b12-9+","","2016-12-02","2017-11-03","(~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid","2017-11-08"],["0QA","4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one","C10 H13 N3 O2","O=C(c1cccnc1)CCCN(N=O)C;CN(CCCC(=O)c1cccnc1)N=O;CN(CCCC(=O)c1cccnc1)N=O","InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3","","2012-04-11","2012-06-01","4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one",""],["0QB","(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide","C36 H54 N6 O5 S","O=C1N(C)C(C)(C)CC1C(O)C(NC(=O)C(Cc2nc(sc2)N)CC(=O)N(CC(=O)N(C)C)C(c3ccccc3)C)CC4CCCCC4;C[CH](N(CC(=O)N(C)C)C(=O)C[CH](Cc1csc(N)n1)C(=O)N[CH](CC2CCCCC2)[CH](O)[CH]3CC(C)(C)N(C)C3=O)c4ccccc4","InChI=1S/C36H54N6O5S/c1-23(25-15-11-8-12-16-25)42(21-31(44)40(4)5)30(43)19-26(18-27-22-48-35(37)38-27)33(46)39-29(17-24-13-9-7-10-14-24)32(45)28-20-36(2,3)41(6)34(28)47/h8,11-12,15-16,22-24,26,28-29,32,45H,7,9-10,13-14,17-21H2,1-6H3,(H2,37,38)(H,39,46)/t23-,26+,28-,29-,32-/m0/s1","P2-P3 butanediamide renin inhibitor (3)","2008-11-12","2021-03-01","(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide",""],["I5X","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","C23 H28 N4 O2 S","CSCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3;Cc1c2c([nH]c1C(=O)NC(CCSC)c3[nH]c4ccccc4n3)CC(CC2=O)(C)C","InChI=1S/C23H28N4O2S/c1-13-19-17(11-23(2,3)12-18(19)28)24-20(13)22(29)27-16(9-10-30-4)21-25-14-7-5-6-8-15(14)26-21/h5-8,16,24H,9-12H2,1-4H3,(H,25,26)(H,27,29)/t16-/m0/s1","","2022-06-10","2023-03-24","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","2023-03-29"],["I5Y","(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide","C43 H52 N8 O6 S","NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2;NCc1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CCCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)c6ccccc6)C(=O)N2)cc5)CC4)cc3)cc1;c1ccc(cc1)S(=O)(=O)NC2Cc3ccc(cc3)NC(=O)CCCN4CCN(CCC(=O)Nc5ccc(cc5)CC(NC2=O)C(=O)NCc6ccc(cc6)CN)CC4","InChI=1S/C43H52N8O6S/c44-29-33-8-10-34(11-9-33)30-45-42(54)38-27-31-12-16-36(17-13-31)47-41(53)20-22-51-25-23-50(24-26-51)21-4-7-40(52)46-35-18-14-32(15-19-35)28-39(43(55)48-38)49-58(56,57)37-5-2-1-3-6-37/h1-3,5-6,8-19,38-39,49H,4,7,20-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t38-,39+/m0/s1","","2022-01-13","2023-01-13","(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide","2023-01-18"],["0QE","chloromethane","C H3 Cl","ClC;CCl;CCl","InChI=1S/CH3Cl/c1-2/h1H3","Chloro Methyl group","2008-12-08","2024-09-27","chloromethane",""],["0QF","N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp\nholin-4-ylsulfonyl)-L-phenylalaninamide","C31 H52 N4 O7 S2","O=S(=O)(N1CCOCC1)NC(C(=O)NC(SCC)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)Cc3ccccc3;CCS[CH](NC(=O)[CH](Cc1ccccc1)N[S](=O)(=O)N2CCOCC2)C(=O)N[CH](CC3CCCCC3)[CH](O)[CH](O)CC(C)C;CCSC(C(=O)NC(CC1CCCCC1)C(C(CC(C)C)O)O)NC(=O)C(Cc2ccccc2)NS(=O)(=O)N3CCOCC3","InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1","PD-133,450","2010-02-05","2020-06-17","N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide",""],["I5Z","6-cyclopropyl-1H-pyrimidine-2,4-dione","C7 H8 N2 O2","O=C1NC(=O)C=C(N1)C2CC2;C1CC1C2=CC(=O)NC(=O)N2","InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)","","2022-02-12","2022-08-22","6-cyclopropyl-1~{H}-pyrimidine-2,4-dione","2022-03-16"],["I60","[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(4-azanylbutanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate","C17 H29 N7 O8","NCCCC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2;C1C(C2C(C(=O)N1)NC(=NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CCCN)N2)O","InChI=1S/C17H29N7O8/c18-3-1-2-8(27)21-11-12(28)13(32-16(19)30)7(5-25)31-15(11)24-17-22-9-6(26)4-20-14(29)10(9)23-17/h6-7,9-13,15,25-26,28H,1-5,18H2,(H2,19,30)(H,20,29)(H,21,27)(H2,22,23,24)/t6-,7-,9-,10+,11-,12+,13+,15-/m1/s1","","2022-06-10","2023-05-26","[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(4-azanylbutanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate","2023-05-31"],["0QG","3-methyl-L-valyl-L-prolyl-L-isoleucine","C17 H31 N3 O4","O=C(NC(C(=O)O)C(C)CC)C1N(C(=O)C(N)C(C)(C)C)CCC1;CC[CH](C)[CH](NC(=O)[CH]1CCCN1C(=O)[CH](N)C(C)(C)C)C(O)=O","InChI=1S/C17H31N3O4/c1-6-10(2)12(16(23)24)19-14(21)11-8-7-9-20(11)15(22)13(18)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,21)(H,23,24)/t10-,11-,12-,13+/m0/s1","","2008-09-14","2024-09-27","3-methyl-L-valyl-L-prolyl-L-isoleucine",""],["0QH","(1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium","C27 H36 F3 N4 O3","O=C(Nc1ccc(cc1)C(C)C)C[N+](NC(=O)C(NC(=O)C(F)(F)F)CC(C)C)(Cc2ccccc2)C;CC(C)C[CH](NC(=O)C(F)(F)F)C(=O)N[N+](C)(CC(=O)Nc1ccc(cc1)C(C)C)Cc2ccccc2","InChI=1S/C27H35F3N4O3/c1-18(2)15-23(32-26(37)27(28,29)30)25(36)33-34(5,16-20-9-7-6-8-10-20)17-24(35)31-22-13-11-21(12-14-22)19(3)4/h6-14,18-19,23H,15-17H2,1-5H3,(H2-,31,32,33,35,36,37)/p+1/t23-,34+/m0/s1","","2008-11-07","2011-07-13","(1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium",""],["I61","Inulanolide A","C34 H44 O9","CC(=O)OC1C2C(C)=C3CC4C(=C)C(=O)OC4CC(C)C31CC12C(=O)OC2CC(C)=C(C(O)C21)C(C)CCCOC(C)=O;C[CH](CCCOC(C)=O)C1=C(C)C[CH]2OC(=O)[C]3(C[C]45[CH](C)C[CH]6OC(=O)C(=C)[CH]6CC4=C(C)[CH]3[CH]5OC(C)=O)[CH]2[CH]1O;CC1CC2C(CC3=C(C4C(C13CC45C6C(CC(=C(C6O)C(C)CCCOC(=O)C)C)OC5=O)OC(=O)C)C)C(=C)C(=O)O2","InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30-,33-,34-/m1/s1","","2022-01-13","2022-08-05","(4R)-4-[(3R,3aR,3'aS,4R,6'S,7aS,8'aR,9'R,10'aR,11'R)-11'-(acetyloxy)-4-hydroxy-5',6,9'-trimethyl-3'-methylidene-2,2'-dioxo-2',3',3a,3'a,4,4',6',7,7a,9',10',10'a-dodecahydro-2H,8'H-spiro[[1]benzofuran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-5-yl]pentyl acetate","2022-08-10"],["0QI","O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine","C17 H25 N O4 S","O=C(O)C(NC(=O)C(CC(C)C)CS)Cc1ccc(OC)cc1;COc1ccc(C[CH](NC(=O)[CH](CS)CC(C)C)C(O)=O)cc1;CC(C)CC(CS)C(=O)NC(Cc1ccc(cc1)OC)C(=O)O","InChI=1S/C17H25NO4S/c1-11(2)8-13(10-23)16(19)18-15(17(20)21)9-12-4-6-14(22-3)7-5-12/h4-7,11,13,15,23H,8-10H2,1-3H3,(H,18,19)(H,20,21)/t13-,15+/m1/s1","","2008-11-10","2011-07-13","O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine",""],["I62","N-[(2E)-3-(diethylamino)prop-2-en-1-yl]-4-methyl-3-nitrobenzamide","C15 H21 N3 O3","Cc1ccc(cc1[N+](=O)[O-])C(=O)NC/C=C/N(CC)CC;CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O;CCN(CC)C=CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C","InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,19)/b10-6+","","2022-02-12","2026-04-05","N-[(2E)-3-(diethylamino)prop-2-en-1-yl]-4-methyl-3-nitrobenzamide","2022-04-27"],["0QJ","5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine","C25 H36 N8 O4","O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C)CC4OC(n3cnc2c(ncnc23)N)C(O)C4O;CN(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C25H36N8O4/c1-25(2,3)15-6-8-16(9-7-15)31-24(36)27-10-5-11-32(4)12-17-19(34)20(35)23(37-17)33-14-30-18-21(26)28-13-29-22(18)33/h6-9,13-14,17,19-20,23,34-35H,5,10-12H2,1-4H3,(H2,26,28,29)(H2,27,31,36)/t17-,19-,20-,23-/m1/s1","","2012-04-12","2012-10-12","5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine","2012-10-12"],["I63","{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid","C32 H41 N O9","O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(c1cccc(OCC(=O)O)c1)CCc2ccc(OC)c(OC)c2)CCCC3;CCC(C)(C)C(=O)C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccc(OC)c(OC)c2)c3cccc(OCC(O)=O)c3;CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O","InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1","","2012-02-28","2012-05-11","{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid",""],["0QK","7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C28 H41 N7 O4","O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC4OC(n3ccc2c(ncnc23)N)C(O)C4O;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[CH]2O[CH]([CH](O)[CH]2O)n3ccc4c(N)ncnc34;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC2C(C(C(O2)n3ccc4c3ncnc4N)O)O","InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1","","2012-04-12","2012-05-11","7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["I64","benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name)","C25 H39 N5 O6","CCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C;CCC(=O)N(CCC(N)=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C;CCC(=O)N(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1","InChI=1S/C25H39N5O6/c1-6-21(32)30(13-12-20(26)31)29-23(33)19(14-16(2)3)27-24(34)22(17(4)5)28-25(35)36-15-18-10-8-7-9-11-18/h7-11,16-17,19,22H,6,12-15H2,1-5H3,(H2,26,31)(H,27,34)(H,28,35)(H,29,33)/t19-,22-/m0/s1","","2021-10-13","2024-09-27","benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name)","2024-07-10"],["0QL","3-[(2-aminoethyl)disulfanyl]-L-alanine","C5 H12 N2 O2 S2","O=C(O)C(N)CSSCCN;NCCSSC[CH](N)C(O)=O;C(CSSCC(C(=O)O)N)N","InChI=1S/C5H12N2O2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1","CYS-MTSEA","2012-04-16","2024-09-27","3-[(2-aminoethyl)disulfanyl]-L-alanine",""],["I65","benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)","C31 H49 N5 O7","CCC(=O)N(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)CC1CCCCC1;CCC(=O)N(CCC(N)=O)NC(=O)[CH](CC1CCCCC1)NC(=O)[CH](NC(=O)OCc2ccccc2)[CH](C)OC(C)(C)C;CCC(=O)N(CCC(=O)N)NC(=O)C(CC1CCCCC1)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc2ccccc2","InChI=1S/C31H49N5O7/c1-6-26(38)36(18-17-25(32)37)35-28(39)24(19-22-13-9-7-10-14-22)33-29(40)27(21(2)43-31(3,4)5)34-30(41)42-20-23-15-11-8-12-16-23/h8,11-12,15-16,21-22,24,27H,6-7,9-10,13-14,17-20H2,1-5H3,(H2,32,37)(H,33,40)(H,34,41)(H,35,39)/t21-,24+,27+/m1/s1","","2021-10-13","2024-09-27","benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)","2023-01-25"],["0QN","N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide","C17 H19 F6 N3 O3","O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)C;CC(C)[CH](NC(=O)C(F)(F)F)C(=O)N[CH](C)C(=O)Nc1ccc(cc1)C(F)(F)F","InChI=1S/C17H19F6N3O3/c1-8(2)12(26-15(29)17(21,22)23)14(28)24-9(3)13(27)25-11-6-4-10(5-7-11)16(18,19)20/h4-9,12H,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t9-,12-/m0/s1","","2008-09-14","2011-07-13","N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide",""],["I66","ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate","C22 H23 N O4","O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN4CCCC4;CCOC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)c4ccccc4;CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4","InChI=1S/C22H23NO4/c1-2-26-22(25)20-19-16(14-23-12-6-7-13-23)17(24)10-11-18(19)27-21(20)15-8-4-3-5-9-15/h3-5,8-11,24H,2,6-7,12-14H2,1H3","","2014-01-17","2017-06-30","ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate","2017-07-05"],["0QQ","N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide","C20 H20 F2 N4 O3 S","C[CH]1SC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cc4OCCOc4cn3)ccc2F)N;CC1C(C(N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F","InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1","","2021-06-11","2022-02-18","~{N}-[3-[(4~{R},5~{R},6~{R})-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide","2022-02-23"],["I67","N-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide","C25 H31 N7 O S","CN1CCCN(CC1)c1nc(SCc2ccc(CNC(=O)CN)cc2)c(C#N)c(CC)c1C#N;CCc1c(C#N)c(SCc2ccc(CNC(=O)CN)cc2)nc(N3CCCN(C)CC3)c1C#N;CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N","InChI=1S/C25H31N7OS/c1-3-20-21(13-26)24(32-10-4-9-31(2)11-12-32)30-25(22(20)14-27)34-17-19-7-5-18(6-8-19)16-29-23(33)15-28/h5-8H,3-4,9-12,15-17,28H2,1-2H3,(H,29,33)","","2021-10-04","2022-03-25","N-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide","2022-03-30"],["I68","N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C25 H47 N5 O5","CC(C)(C)NC(=O)NC(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)C(C)(C)C;CC(C)(C)C[CH](NC(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[CH](CO)C[CH]1CCNC1=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C","InChI=1S/C25H47N5O5/c1-23(2,3)13-17(20(33)27-16(14-31)12-15-10-11-26-19(15)32)28-21(34)18(24(4,5)6)29-22(35)30-25(7,8)9/h15-18,31H,10-14H2,1-9H3,(H,26,32)(H,27,33)(H,28,34)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1","","2021-09-16","2024-09-27","N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-27"],["0QR","N-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide","C11 H10 F N3 O2 S","O=S(=O)(Nc1nc(ccc1)N)c2ccc(F)cc2;Nc1cccc(N[S](=O)(=O)c2ccc(F)cc2)n1;c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N","InChI=1S/C11H10FN3O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H3,13,14,15)","","2012-04-18","2012-05-18","N-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide",""],["I69","(6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name)","C25 H43 N5 O5","O=C(C(NC(=O)NC(C)(C)C)C(C)(C)C)N1CC2(CC2)CC1C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(CC2)C[CH]1C(=O)N[CH](CO)C[CH]3CCNC3=O)C(C)(C)C;CC(C)(C)C(C(=O)N1CC2(CC2)CC1C(=O)NC(CC3CCNC3=O)CO)NC(=O)NC(C)(C)C","InChI=1S/C25H43N5O5/c1-23(2,3)18(28-22(35)29-24(4,5)6)21(34)30-14-25(8-9-25)12-17(30)20(33)27-16(13-31)11-15-7-10-26-19(15)32/h15-18,31H,7-14H2,1-6H3,(H,26,32)(H,27,33)(H2,28,29,35)/t15-,16-,17-,18+/m0/s1","","2021-09-16","2024-09-27","(6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name)","2022-07-27"],["0QS","N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide","C36 H56 F2 N7 O8 S","O=S(=O)(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NCCN2CCOCC2)Cc3[nH+]cnc3)Cc4ccccc4)C(C)(C)C;CC(C)(C)[S](=O)(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C(=O)N[CH](CC3CCCCC3)C(O)(O)C(F)(F)C(=O)NCCN4CCOCC4;CC(C)(C)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C(=O)NC(CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O","InChI=1S/C36H55F2N7O8S/c1-34(2,3)54(51,52)44-29(20-25-10-6-4-7-11-25)32(47)42-28(22-27-23-39-24-41-27)31(46)43-30(21-26-12-8-5-9-13-26)36(49,50)35(37,38)33(48)40-14-15-45-16-18-53-19-17-45/h4,6-7,10-11,23-24,26,28-30,44,49-50H,5,8-9,12-22H2,1-3H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)/p+1/t28-,29-,30-/m0/s1","PD-135,040","2008-09-14","2021-03-13","N-(tert-butylsulfonyl)-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(morpholin-4-yl)ethyl]amino}-5-oxopentan-2-yl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide",""],["I6A","5-methoxy-6-pyridin-4-yl-1~{H}-indole","C14 H12 N2 O","COc1cc2cc[nH]c2cc1c3ccncc3;COc1cc2cc[nH]c2cc1c3ccncc3","InChI=1S/C14H12N2O/c1-17-14-8-11-4-7-16-13(11)9-12(14)10-2-5-15-6-3-10/h2-9,16H,1H3","","2022-02-12","2022-08-22","5-methoxy-6-pyridin-4-yl-1~{H}-indole","2022-03-23"],["0QV","(4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione","C14 H16 N2 O S","S=C(c2c1ccccc1nc2)N3CCC(O)CC3;OC1CCN(CC1)C(=S)c2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O","InChI=1S/C14H16N2OS/c17-10-5-7-16(8-6-10)14(18)12-9-15-13-4-2-1-3-11(12)13/h1-4,9-10,15,17H,5-8H2","","2012-04-18","2012-05-18","(4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione",""],["I6C","3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide","C32 H34 F3 N7 O2","FC(F)(F)c1cc(cc(CN2CCN(CC)CC2)c1)NC(=O)c1cc(c2ccc3nc(cn3n2)NC(=O)C2CC2)c(C)cc1;CCN1CCN(CC1)Cc2cc(NC(=O)c3ccc(C)c(c3)c4ccc5nc(NC(=O)C6CC6)cn5n4)cc(c2)C(F)(F)F;CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3ccc(c(c3)c4ccc5nc(cn5n4)NC(=O)C6CC6)C)C(F)(F)F","InChI=1S/C32H34F3N7O2/c1-3-40-10-12-41(13-11-40)18-21-14-24(32(33,34)35)17-25(15-21)36-31(44)23-5-4-20(2)26(16-23)27-8-9-29-37-28(19-42(29)39-27)38-30(43)22-6-7-22/h4-5,8-9,14-17,19,22H,3,6-7,10-13,18H2,1-2H3,(H,36,44)(H,38,43)","","2022-01-14","2023-06-16","3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide","2023-06-21"],["0QW","(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione","C11 H13 N O S","S=C(c1c(O)cccc1)N2CCCC2;Oc1ccccc1C(=S)N2CCCC2;c1ccc(c(c1)C(=S)N2CCCC2)O","InChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2","","2012-04-18","2012-05-18","(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione",""],["0QX","2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine","C15 H12 N4","n4ccc1c(nc(n1)Cc3c2ccccc2nc3)c4;C(c1[nH]c2ccncc2n1)c3c[nH]c4ccccc34;c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3","InChI=1S/C15H12N4/c1-2-4-12-11(3-1)10(8-17-12)7-15-18-13-5-6-16-9-14(13)19-15/h1-6,8-9,17H,7H2,(H,18,19)","","2012-04-18","2012-05-18","2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine",""],["I6D","7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C9 H7 N3 S","Cc1ccc2sc3nncn3c2c1;Cc1ccc2c(c1)n3cnnc3s2","InChI=1S/C9H7N3S/c1-6-2-3-8-7(4-6)12-5-10-11-9(12)13-8/h2-5H,1H3","","2022-02-12","2023-02-03","7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-02-08"],["0QY","N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide","C21 H21 N5 O","O=C(Nc2ccc1nc(nc1c2)Cc4c3ccccc3nc4)C5NCCC5;O=C(Nc1ccc2[nH]c(Cc3c[nH]c4ccccc34)nc2c1)[CH]5CCCN5;c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)C5CCCN5","InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1","","2012-04-18","2012-05-18","N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide",""],["I6G","8-methoxy-2,3-dimethylquinoxalin-5-ol","C11 H12 N2 O2","n1c2c(O)ccc(OC)c2nc(c1C)C;COc1ccc(O)c2nc(C)c(C)nc12;Cc1c(nc2c(ccc(c2n1)O)OC)C","InChI=1S/C11H12N2O2/c1-6-7(2)13-11-9(15-3)5-4-8(14)10(11)12-6/h4-5,14H,1-3H3","","2014-12-04","2015-10-09","8-methoxy-2,3-dimethylquinoxalin-5-ol","2015-10-14"],["0QZ","D-Isoserine","C3 H7 N O3","O=C(O)C(O)CN;NC[CH](O)C(O)=O;C(C(C(=O)O)O)N","InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1","(2R)-3-amino-2-hydroxypropanoic acid","2012-08-23","2024-09-27","(2R)-3-amino-2-hydroxypropanoic acid","2014-05-07"],["I6H","Dexverapamil","C27 H38 N2 O4","COc1ccc(CCN(C)CCC[C](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC;CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC","InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1","","2022-02-15","2022-10-21","(2~{R})-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile","2022-10-26"],["0R0","2-hydroxybenzonitrile","C7 H5 N O","N#Cc1ccccc1O;Oc1ccccc1C#N;c1ccc(c(c1)C#N)O","InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H","2-Cyanophenol","2012-04-21","2020-06-17","2-hydroxybenzonitrile","2012-08-31"],["I6I","N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid","C32 H38 F N7 O12","O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2NC(N)=NC(=O)c21)C(=O)O)C(=O)O;NC1=NC(=O)c2n(CCCCc3ccc(c(F)c3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)ccc2N1;c1cc(c(cc1CCCCn2ccc3c2C(=O)N=C(N3)N)F)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C32H38FN7O12/c33-18-15-16(3-1-2-13-40-14-12-19-26(40)28(46)39-32(34)38-19)4-5-17(18)27(45)37-22(31(51)52)7-10-24(42)35-20(29(47)48)6-9-23(41)36-21(30(49)50)8-11-25(43)44/h4-5,12,14-15,20-22H,1-3,6-11,13H2,(H,35,42)(H,36,41)(H,37,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H3,34,38,39,46)/t20-,21+,22+/m0/s1","","2023-07-27","2024-02-16","N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid","2024-02-21"],["I6J","(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","C19 H24 F2 N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F;CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C(F)F)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(C(F)F)C(=O)O","InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m1/s1","","2022-01-17","2022-02-04","(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","2022-02-09"],["0R1","1,2-benzisoxazole","C7 H5 N O","n2oc1ccccc1c2;o1ncc2ccccc12;c1ccc2c(c1)cno2","InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H","","2012-04-21","2012-08-31","1,2-benzoxazole","2012-08-31"],["0R2","[(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid","C27 H31 Cl2 N O5","O=C(OC(C)(C)C)C(N3C(=O)C(CC(c1cccc(Cl)c1)C3c2ccc(Cl)cc2)CC(=O)O)CC;CC[CH](N1[CH]([CH](C[CH](CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3)C(=O)OC(C)(C)C;CCC(C(=O)OC(C)(C)C)N1C(C(CC(C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C27H31Cl2NO5/c1-5-22(26(34)35-27(2,3)4)30-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(30)33)15-23(31)32/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,31,32)/t18-,21-,22+,24-/m1/s1","","2012-04-23","2012-05-18","[(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid",""],["I6K","2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex","C15 H9 Au Cl N9","Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6;c1cnc(nc1)c2nc-3[n+]4c(n2)-c5nccc[n+]5[Au-]4([n+]6c3nccc6)Cl","InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12;;/h1-9H;;1H/q;+3;/p-1","","2022-02-15","2022-12-23","","2022-12-28"],["I6L","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","C24 H30 N4 O2","CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3;CCCCC(c1[nH]c2ccccc2n1)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C","InChI=1S/C24H30N4O2/c1-5-6-9-17(22-26-15-10-7-8-11-16(15)27-22)28-23(30)21-14(2)20-18(25-21)12-24(3,4)13-19(20)29/h7-8,10-11,17,25H,5-6,9,12-13H2,1-4H3,(H,26,27)(H,28,30)/t17-/m0/s1","","2022-06-10","2023-03-24","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","2023-03-29"],["0R3","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid","C25 H29 Cl2 N O4","O=C(O)CC3(C(=O)N(C(C(O)C)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3)C;CC[CH]([CH](C)O)N1[CH]([CH](C[C](C)(CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3;CCC(C(C)O)N1C(C(CC(C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1","","2012-04-23","2012-05-18","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid",""],["0R4","N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide","C33 H26 F N7 O2","Fc1cccc(c1)C(=O)NCc2ccc(cc2)n4c5nc(ccc5nc4c3cccnc3N)c6cccc(NC(=O)C)c6;CC(=O)Nc1cccc(c1)c2ccc3nc(n(c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c6cccnc6N;CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F","InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)","","2012-04-25","2012-05-18","N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide",""],["I6M","N~1~-[(1R,2R)-2-(carbamimidamidomethyl)-5-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","C25 H30 Cl F N6 O3","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2CC1CNC(=N)N)CN1CCCC1CO;NC(=N)NC[CH]1Cc2cc(CN3CCC[CH]3CO)ccc2[CH]1NC(=O)C(=O)Nc4ccc(Cl)c(F)c4;c1cc2c(cc1CN3CCCC3CO)CC(C2NC(=O)C(=O)Nc4ccc(c(c4)F)Cl)CNC(=N)N","InChI=1S/C25H30ClFN6O3/c26-20-6-4-17(10-21(20)27)31-23(35)24(36)32-22-16(11-30-25(28)29)9-15-8-14(3-5-19(15)22)12-33-7-1-2-18(33)13-34/h3-6,8,10,16,18,22,34H,1-2,7,9,11-13H2,(H,31,35)(H,32,36)(H4,28,29,30)/t16-,18-,22-/m1/s1","","2022-01-18","2023-01-20","N~1~-[(1R,2R)-2-(carbamimidamidomethyl)-5-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","2023-01-25"],["I6O","1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole","C20 H27 N3","C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1;C1CCC(CC1)Cn2cc(nc2[CH]3CCCN3)c4ccccc4;c1ccc(cc1)c2cn(c(n2)C3CCCN3)CC4CCCCC4","InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1","","2023-07-28","2024-09-27","1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole","2024-05-29"],["0R5","2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)","C19 H19 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(C#Cc1ccc(C#C)cc1)=C2)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C#Cc3ccc(cc3)C#C)C(=O)NC2=O;C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C19H19N2O14P3/c1-2-12-3-5-13(6-4-12)7-8-14-10-21(19(24)20-18(14)23)17-9-15(22)16(33-17)11-32-37(28,29)35-38(30,31)34-36(25,26)27/h1,3-6,10,15-17,22H,9,11H2,(H,28,29)(H,30,31)(H,20,23,24)(H2,25,26,27)/t15-,16+,17+/m0/s1","","2012-04-26","2013-03-22","2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)","2013-03-27"],["0R6","2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)","C19 H20 N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C(C#Cc1ccc(C#C)cc1)=C2)CC3O;NC1=NC(=O)N(C=C1C#Cc2ccc(cc2)C#C)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C19H20N3O13P3/c1-2-12-3-5-13(6-4-12)7-8-14-10-22(19(24)21-18(14)20)17-9-15(23)16(33-17)11-32-37(28,29)35-38(30,31)34-36(25,26)27/h1,3-6,10,15-17,23H,9,11H2,(H,28,29)(H,30,31)(H2,20,21,24)(H2,25,26,27)/t15-,16+,17+/m0/s1","","2012-04-27","2013-03-22","2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)","2013-03-27"],["I6P","INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE","C6 H18 O24 P6","O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-","MYO-INOSITOL HEXAKISPHOSPHATE","2010-03-31","2020-10-14","(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]",""],["0R7","[[(2S,5R)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C19 H20 N3 O12 P3","NC1=NC(=O)N(C=C1C#Cc2ccc(cc2)C#C)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C19H20N3O12P3/c1-2-13-3-5-14(6-4-13)7-8-15-11-22(19(23)21-18(15)20)17-10-9-16(32-17)12-31-36(27,28)34-37(29,30)33-35(24,25)26/h1,3-6,11,16-17H,9-10,12H2,(H,27,28)(H,29,30)(H2,20,21,23)(H2,24,25,26)/t16-,17+/m0/s1","","2012-04-27","2013-04-19","[[(2S,5R)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2013-04-24"],["I6Q","N~1~-[(1R,2R)-5-{[(3R)-3-aminopyrrolidin-1-yl]methyl}-2-(carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","C24 H29 Cl F N7 O2","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2CC1CNC(=N)N)CN1CCC(N)C1;N[CH]1CCN(C1)Cc2ccc3[CH](NC(=O)C(=O)Nc4ccc(Cl)c(F)c4)[CH](CNC(N)=N)Cc3c2;c1cc2c(cc1CN3CCC(C3)N)CC(C2NC(=O)C(=O)Nc4ccc(c(c4)F)Cl)CNC(=N)N","InChI=1S/C24H29ClFN7O2/c25-19-4-2-17(9-20(19)26)31-22(34)23(35)32-21-15(10-30-24(28)29)8-14-7-13(1-3-18(14)21)11-33-6-5-16(27)12-33/h1-4,7,9,15-16,21H,5-6,8,10-12,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t15-,16-,21-/m1/s1","","2022-01-18","2023-01-20","N~1~-[(1R,2R)-5-{[(3R)-3-aminopyrrolidin-1-yl]methyl}-2-(carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","2023-01-25"],["0R8","[(2S,5R)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2H)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate","C19 H18 N3 O6 P","O=P(O)(O)OCC3OC(N2C(=O)N=C(N)C(C#Cc1ccc(C#C)cc1)=C2)CC3;NC1=NC(=O)N(C=C1C#Cc2ccc(cc2)C#C)[CH]3CC[CH](CO[P](O)(O)=O)O3;C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)C3CCC(O3)COP(=O)(O)O","InChI=1S/C19H18N3O6P/c1-2-13-3-5-14(6-4-13)7-8-15-11-22(19(23)21-18(15)20)17-10-9-16(28-17)12-27-29(24,25)26/h1,3-6,11,16-17H,9-10,12H2,(H2,20,21,23)(H2,24,25,26)/t16-,17+/m0/s1","","2012-04-27","2013-04-19","[(2S,5R)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2H)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate","2013-04-24"],["I6R","6-ethyl-1H-pyrimidine-2,4-dione","C6 H8 N2 O2","CCC1=CC(=O)NC(=O)N1;CCC1=CC(=O)NC(=O)N1","InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)","","2022-02-15","2022-08-22","6-ethyl-1~{H}-pyrimidine-2,4-dione","2022-02-23"],["0R9","5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid","C20 H15 F3 N6 O3","O=C(O)c1cc(cnc1)c2c(c3cc(C(=O)NCC)nc3nc2)n4nc(cc4)C(F)(F)F;CCNC(=O)c1[nH]c2ncc(c3cncc(c3)C(O)=O)c(n4ccc(n4)C(F)(F)F)c2c1;CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F","InChI=1S/C20H15F3N6O3/c1-2-25-18(30)14-6-12-16(29-4-3-15(28-29)20(21,22)23)13(9-26-17(12)27-14)10-5-11(19(31)32)8-24-7-10/h3-9H,2H2,1H3,(H,25,30)(H,26,27)(H,31,32)","","2012-04-27","2012-07-27","5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid",""],["I6S","3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide","C24 H31 N3 O3","CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccccc3;CCCCC(C(=O)Nc1ccccc1)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C","InChI=1S/C24H31N3O3/c1-5-6-12-17(22(29)25-16-10-8-7-9-11-16)27-23(30)21-15(2)20-18(26-21)13-24(3,4)14-19(20)28/h7-11,17,26H,5-6,12-14H2,1-4H3,(H,25,29)(H,27,30)/t17-/m0/s1","","2022-06-10","2023-03-24","3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide","2023-03-29"],["I6T","(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde","C29 H34 Cl N5 O3","CN1CCCC1COc1nc2CN(CCc2c(n1)N1CCC(C=O)C(O)C1)c1cccc2cccc(Cl)c21;CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4CC[CH](C=O)[CH](O)C4)c5cccc6cccc(Cl)c56;CN1CCCC1COc2nc3c(c(n2)N4CCC(C(C4)O)C=O)CCN(C3)c5cccc6c5c(ccc6)Cl","InChI=1S/C29H34ClN5O3/c1-33-12-4-7-21(33)18-38-29-31-24-15-34(25-9-3-6-19-5-2-8-23(30)27(19)25)14-11-22(24)28(32-29)35-13-10-20(17-36)26(37)16-35/h2-3,5-6,8-9,17,20-21,26,37H,4,7,10-16,18H2,1H3/t20-,21-,26-/m0/s1","(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one","2022-01-20","2024-09-27","(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde","2022-08-03"],["0RA","3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid","C16 H14 N2 O2","O=C(O)CCc3cccc(c1cc2c(nc1)ncc2)c3;OC(=O)CCc1cccc(c1)c2cnc3[nH]ccc3c2;c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O","InChI=1S/C16H14N2O2/c19-15(20)5-4-11-2-1-3-12(8-11)14-9-13-6-7-17-16(13)18-10-14/h1-3,6-10H,4-5H2,(H,17,18)(H,19,20)","","2012-04-27","2012-07-27","3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid",""],["I6U","(11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide","C19 H20 N4 O4 S","N[S](=O)(=O)c1ccc(NC(=O)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1;c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C19H20N4O4S/c20-28(26,27)15-7-5-14(6-8-15)21-19(25)22-11-17-16-4-2-1-3-13(16)9-10-23(17)18(24)12-22/h1-8,17H,9-12H2,(H,21,25)(H2,20,26,27)/t17-/m0/s1","","2022-02-15","2023-02-17","(11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide","2023-02-22"],["0RB","2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide","C10 H9 N9 O2","O=C(NCc1cnnn1)c2nc3c(nc2)C(=O)N=C(N)N3;NC1=NC(=O)c2ncc(nc2N1)C(=O)NCc3[nH]nnc3;c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N","InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21)","","2012-04-27","2012-10-26","2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide","2012-10-26"],["0RC","5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","C11 H20 N4 O10 P2","O=P(O)(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)CCN;NCC[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(CCN)O)O)O","InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1","","2007-08-13","2019-08-02","5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","2019-08-07"],["I6W","ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate","C14 H12 N2 O4","O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1;CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(O)=O;CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(=O)O","InChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-12(16-8-10)11-5-3-9(7-15-11)13(17)18/h3-8H,2H2,1H3,(H,17,18)","","2022-01-20","2026-04-21","ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate","2022-04-20"],["I6X","5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one","C30 H25 F N4 O","O=C1C(=CC(=CN1CC)C3(N=C(N)c2c3cccc2F)c5cccc(c4cc(C#CC)cnc4)c5)C;CCN1C=C(C=C(C)C1=O)[C]2(N=C(N)c3c(F)cccc23)c4cccc(c4)c5cncc(c5)C#CC;CCN1C=C(C=C(C1=O)C)C2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC","InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1","","2012-06-27","2014-09-05","5-[(1R)-3-amino-4-fluoro-1-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methylpyridin-2(1H)-one","2012-10-12"],["0RD","4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid","C24 H21 Cl N2 O6 S","O=C(O)c1ccc(cc1)NC(=O)c2cc(c3c(c2)N(CC3)S(=O)(=O)c4cc(Cl)ccc4OC)C;COc1ccc(Cl)cc1[S](=O)(=O)N2CCc3c(C)cc(cc23)C(=O)Nc4ccc(cc4)C(O)=O;Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O","InChI=1S/C24H21ClN2O6S/c1-14-11-16(23(28)26-18-6-3-15(4-7-18)24(29)30)12-20-19(14)9-10-27(20)34(31,32)22-13-17(25)5-8-21(22)33-2/h3-8,11-13H,9-10H2,1-2H3,(H,26,28)(H,29,30)","","2012-05-01","2013-04-12","4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid","2013-04-17"],["I6Y","1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole","C19 H22 N4","C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4;c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4","InChI=1S/C19H22N4/c1-2-19-18(15-17(1)16-3-6-20-7-4-16)5-10-23(19)14-13-22-11-8-21-9-12-22/h1-7,10,15,21H,8-9,11-14H2","","2022-02-16","2023-02-24","1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole","2023-03-01"],["0RE","(2S)-hexane-1,2-diol","C6 H14 O2","OCC(O)CCCC;CCCC[CH](O)CO;CCCCC(CO)O","InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m0/s1","","2012-05-01","2013-08-02","(2S)-hexane-1,2-diol","2013-08-07"],["0RF","(2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one","C24 H32 Cl N5 O2","O=C(N3CCN(c1ncnc2c1C(C)CC2O)CC3)C(c4ccc(Cl)cc4)CNC(C)C;CC(C)NC[CH](C(=O)N1CCN(CC1)c2ncnc3[CH](O)C[CH](C)c23)c4ccc(Cl)cc4;CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl)O","InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1","","2012-05-02","2012-05-18","(2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one",""],["I6Z","~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","C25 H31 N3 O3","Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[CH](CCC3CC3)C(=O)Nc4ccccc4;Cc1c2c([nH]c1C(=O)NC(CCC3CC3)C(=O)Nc4ccccc4)CC(CC2=O)(C)C","InChI=1S/C25H31N3O3/c1-15-21-19(13-25(2,3)14-20(21)29)27-22(15)24(31)28-18(12-11-16-9-10-16)23(30)26-17-7-5-4-6-8-17/h4-8,16,18,27H,9-14H2,1-3H3,(H,26,30)(H,28,31)/t18-/m0/s1","","2022-06-10","2023-03-24","~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide","2023-03-29"],["0RI","Orladeyo","C30 H26 F4 N6 O","N#Cc1cccc(c1)C(NCC1CC1)c1cc(NC(=O)c2cc(nn2c2cccc(CN)c2)C(F)(F)F)c(F)cc1;NCc1cccc(c1)n2nc(cc2C(=O)Nc3cc(ccc3F)[CH](NCC4CC4)c5cccc(c5)C#N)C(F)(F)F;c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)C(c4cccc(c4)C#N)NCC5CC5)CN","InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1","1-[3-(aminomethyl)phenyl]-N-(5-{(R)-[3-(aminomethyl)phenyl][(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide","2021-06-14","2021-09-10","1-[3-(aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide","2021-09-15"],["I70","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C27 H46 N6 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)N)O)C","InChI=1S/C27H46N6O6/c1-25(2,3)19(31-24(39)32-26(4,5)6)23(38)33-12-14-16(27(14,7)8)17(33)22(37)30-15(18(34)20(28)35)11-13-9-10-29-21(13)36/h13-19,34H,9-12H2,1-8H3,(H2,28,35)(H,29,36)(H,30,37)(H2,31,32,39)/t13-,14-,15-,16-,17-,18+,19+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-03-09"],["0RJ","3-(formylamino)-L-alanine","C4 H8 N2 O3","O=CNCC(N)C(=O)O;N[CH](CNC=O)C(O)=O;C(C(C(=O)O)N)NC=O","InChI=1S/C4H8N2O3/c5-3(4(8)9)1-6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1","","2012-08-23","2024-09-27","3-(formylamino)-L-alanine","2014-07-30"],["I71","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C29 H50 N6 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CCNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C;CCNC(=O)C(C(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)O","InChI=1S/C29H50N6O6/c1-10-30-24(39)20(36)17(13-15-11-12-31-22(15)37)32-23(38)19-18-16(29(18,8)9)14-35(19)25(40)21(27(2,3)4)33-26(41)34-28(5,6)7/h15-21,36H,10-14H2,1-9H3,(H,30,39)(H,31,37)(H,32,38)(H2,33,34,41)/t15-,16-,17-,18-,19-,20+,21+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["I72","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C29 H48 O3","C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCCCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C29H48O3/c1-20(10-8-16-28(3,4)32)25-12-6-7-13-26-22(11-9-17-29(25,26)5)14-15-23-18-24(30)19-27(31)21(23)2/h14-15,20,24-27,30-32H,2,6-13,16-19H2,1,3-5H3/b22-14+,23-15-/t20-,24-,25+,26+,27+,29-/m1/s1","","2023-07-27","2024-04-19","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2024-04-24"],["0RK","2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid","C24 H20 Cl2 N2 O6 S","O=C(O)c1ccc(cc1Cl)NC(=O)c2cc(c3c(c2)N(CC3)S(=O)(=O)c4cc(Cl)ccc4OC)C;COc1ccc(Cl)cc1[S](=O)(=O)N2CCc3c(C)cc(cc23)C(=O)Nc4ccc(C(O)=O)c(Cl)c4;Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O","InChI=1S/C24H20Cl2N2O6S/c1-13-9-14(23(29)27-16-4-5-18(24(30)31)19(26)12-16)10-20-17(13)7-8-28(20)35(32,33)22-11-15(25)3-6-21(22)34-2/h3-6,9-12H,7-8H2,1-2H3,(H,27,29)(H,30,31)","","2012-05-02","2013-04-12","2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid","2013-04-17"],["I73","(3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol","C22 H30 N6 O","n2c(cc(NCc1ccccc1)n3ncc(c23)C(C)C)NCC4CCNCC4O;CC(C)c1cnn2c(NCc3ccccc3)cc(NC[CH]4CCNC[CH]4O)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCC4CCNCC4O","InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m0/s1","","2014-02-28","2017-02-03","(3S,4S)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol","2017-02-08"],["0RM","(2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C17 H22 N2 O7 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC;COc1cccc(OC)c1C(=O)N[CH]([CH]2N[CH](C(O)=O)C(C)(C)S2)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C","InChI=1S/C17H22N2O7S/c1-17(2)12(16(23)24)19-14(27-17)11(15(21)22)18-13(20)10-8(25-3)6-5-7-9(10)26-4/h5-7,11-12,14,19H,1-4H3,(H,18,20)(H,21,22)(H,23,24)/t11-,12-,14+/m0/s1","METHICILLIN, hydroxylated form","2012-05-02","2021-03-13","(2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["0RN","SULBACTAM","C8 H11 N O5 S","O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C;CC1(C)[CH](N2[CH](CC2=O)[S]1(=O)=O)C(O)=O;CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C","InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1","(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide","2012-06-11","2020-06-17","(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide","2012-09-21"],["I74","(3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol","C22 H30 N6 O","n2c(cc(NCc1ccccc1)n3ncc(c23)C(C)C)NCC4CCNCC4O;CC(C)c1cnn2c(NCc3ccccc3)cc(NC[CH]4CCNC[CH]4O)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCC4CCNCC4O","InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1","","2014-02-28","2017-02-03","(3R,4R)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol","2017-02-08"],["0RO","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine","C18 H25 N5 S2","N1=C(SC(C)(C)C1)N4CCN(c3ncnc2sc(cc23)CCC)CC4;CCCc1sc2ncnc(N3CCN(CC3)C4=NCC(C)(C)S4)c2c1;CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C","InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3","","2012-08-23","2012-10-05","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine","2012-10-05"],["I75","1-(4-hydroxy-3-methoxyphenyl)ethanone","C9 H10 O3","O=C(c1cc(OC)c(O)cc1)C;COc1cc(ccc1O)C(C)=O;CC(=O)c1ccc(c(c1)OC)O","InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3","","2011-08-09","2012-08-24","1-(4-hydroxy-3-methoxyphenyl)ethanone","2012-08-24"],["I76","3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C25 H22 Cl N5 O","Clc1cccc(c1)COc5ccc4cc(c3nn(c2ncnc(c23)N)C(C)C)ccc4c5;CC(C)n1nc(c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)c5c(N)ncnc15;CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N","InChI=1S/C25H22ClN5O/c1-15(2)31-25-22(24(27)28-14-29-25)23(30-31)19-7-6-18-12-21(9-8-17(18)11-19)32-13-16-4-3-5-20(26)10-16/h3-12,14-15H,13H2,1-2H3,(H2,27,28,29)","","2011-12-23","2012-03-09","3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["0RP","ethyl\n(2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H\n)-carboxylate","C26 H25 F9 N2 O4","FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN(C(=O)OC)C3c2c(ccc(c2)C(F)(F)F)N(C(=O)OCC)C(C3)CC;CCOC(=O)N1[CH](CC)C[CH](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c3cc(ccc13)C(F)(F)F;CCC1CC(c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC","InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1","Torcetrapib","2012-05-03","2020-06-17","ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate","2012-08-31"],["0RQ","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate","C24 H40 N7 O17 P3","O=C(C)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(=O)CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=O)CCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H40N7O17P3/c1-13(32)5-4-7-26-15(33)6-8-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1","dethiaacetyl-coenzyme A","2012-05-06","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(4-oxopentyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)","2012-10-05"],["I77","5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide","C12 H11 N5 O2","NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN;NNC(=O)c1ccc(nc1)c2ccc(cn2)C(N)=O;c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN","InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19)","","2022-01-20","2026-04-21","5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide","2022-04-20"],["I78","(2~{R})-2-(carboxycarbonylamino)propanoic acid","C5 H7 N O5","C[CH](NC(=O)C(O)=O)C(O)=O;CC(C(=O)O)NC(=O)C(=O)O","InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1","N-oxalyl-D-alanine","2022-02-16","2022-08-22","(2~{R})-2-(carboxycarbonylamino)propanoic acid","2022-04-27"],["0RR","3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid","C21 H13 Cl3 N2 O4 S2","S=C1S/C(C(=O)N1CCC(=O)O)=C3/c2cc(Cl)ccc2N(C3=O)Cc4c(Cl)cccc4Cl;OC(=O)CCN1C(=S)SC(C1=O)=C2C(=O)N(Cc3c(Cl)cccc3Cl)c4ccc(Cl)cc24;c1cc(c(c(c1)Cl)CN2c3ccc(cc3C(=C4C(=O)N(C(=S)S4)CCC(=O)O)C2=O)Cl)Cl","InChI=1S/C21H13Cl3N2O4S2/c22-10-4-5-15-11(8-10)17(18-20(30)25(21(31)32-18)7-6-16(27)28)19(29)26(15)9-12-13(23)2-1-3-14(12)24/h1-5,8H,6-7,9H2,(H,27,28)/b18-17-","","2012-05-07","2012-06-08","3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid",""],["0RS","{5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone","C28 H27 N7 O","O=C(c3ccnc(c2c1ccccc1cnc2)c3)c5nc4nc(ccc4n5)N6CCC(N(C)C)CC6;CN(C)C1CCN(CC1)c2ccc3[nH]c(nc3n2)C(=O)c4ccnc(c4)c5cncc6ccccc56;CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6","InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)","","2012-05-07","2013-02-01","{5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone","2013-02-01"],["I79","{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid","C26 H22 Cl N3 O2 S","O=C(O)Cc3c2ccc(c1cc(N)cc(N)c1)cc2n(c3)Cc4c5cc(Cl)ccc5sc4C;Cc1sc2ccc(Cl)cc2c1Cn3cc(CC(O)=O)c4ccc(cc34)c5cc(N)cc(N)c5;Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O","InChI=1S/C26H22ClN3O2S/c1-14-23(22-10-18(27)3-5-25(22)33-14)13-30-12-17(9-26(31)32)21-4-2-15(8-24(21)30)16-6-19(28)11-20(29)7-16/h2-8,10-12H,9,13,28-29H2,1H3,(H,31,32)","","2011-05-20","2014-09-19","{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid","2014-09-24"],["I7A","4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE","C6 H6 Cl2 N2 O4 S2","Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N;N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O;c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N","InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)","","2007-05-02","2011-06-04","4,5-dichlorobenzene-1,3-disulfonamide",""],["0RT","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","C17 H20 F3 N5 S2","FC(F)(F)Cc1sc2ncnc(c2c1)N4CCN(C3=NCC(S3)(C)C)CC4;CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CC(F)(F)F)cc34;CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C","InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3","","2012-09-14","2012-10-05","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","2012-10-05"],["0RU","8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one","C14 H12 N4 O S","O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3;Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12;Cc1cccc2c1NC(=NC2=O)CSc3ncccn3","InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)","","2012-05-07","2012-08-31","8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one","2012-08-31"],["I7B","4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE","C6 H8 Cl N3 O4 S2","O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N;Nc1cc(Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O;c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N","InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)","","2007-05-02","2011-06-04","4-amino-6-chlorobenzene-1,3-disulfonamide",""],["I7C","4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE","C7 H8 F3 N3 O4 S2","O=S(=O)(c1cc(c(cc1N)C(F)(F)F)S(=O)(=O)N)N;Nc1cc(c(cc1[S](N)(=O)=O)[S](N)(=O)=O)C(F)(F)F;c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F","InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)","","2007-05-02","2011-06-04","4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide",""],["0RV","(2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro\nle-5-carboxylic acid","C17 H25 N3 O6 S","O=C(O)C(C(O)C)C2N=C(C(SC1CC(C(=O)N(C)C)NC1)=C2C)C(=O)O;C[CH](O)[CH]([CH]1N=C(C(O)=O)C(=C1C)S[CH]2CN[CH](C2)C(=O)N(C)C)C(O)=O;CC1=C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C","InChI=1S/C17H25N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h8-12,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,11-,12-/m1/s1","Meropenem, hydroxylated form","2012-05-10","2020-06-17","(2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrrole-5-carboxylic acid",""],["I7D","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one","C42 H60 O3","COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC;CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)C)C)C=CCC(C)(C)OC","InChI=1S/C42H60O3/c1-34(22-15-24-36(3)25-17-27-38(5)29-19-32-41(7,8)44-11)20-13-14-21-35(2)23-16-26-37(4)28-18-30-39(6)40(43)31-33-42(9,10)45-12/h13-30H,31-33H2,1-12H3/b14-13+,22-15+,23-16+,25-17+,28-18+,29-19+,34-20+,35-21+,36-24+,37-26+,38-27+,39-30+","R.g.Keto-II","2022-06-10","2022-11-11","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one","2022-11-16"],["0RW","3-methyl-2H-indazole","C8 H8 N2","n1c2ccccc2c(n1)C;Cc1[nH]nc2ccccc12;Cc1c2ccccc2n[nH]1","InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)","","2012-05-10","2015-05-22","3-methyl-2H-indazole","2015-05-27"],["0RX","2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide","C21 H20 N4 O3","O=C(Nc2ccc(Oc1ccncc1)cc2)c3cc(ncc3)N4CCOCC4;O=C(Nc1ccc(Oc2ccncc2)cc1)c3ccnc(c3)N4CCOCC4;c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4","InChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26)","","2012-05-10","2012-12-14","2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide","2012-12-14"],["I7E","tert-butylbenzene","C10 H14","CC(C)(C)c1ccccc1;CC(C)(C)c1ccccc1;CC(C)(C)c1ccccc1","InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3","","2022-01-20","2022-04-15","tert-butylbenzene","2022-04-20"],["0RY","(2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid","C11 H10 N2 O4","O=C(Nc1cc(ccc1)C(=O)N)/C=CC(=O)O;NC(=O)c1cccc(NC(=O)C=CC(O)=O)c1;c1cc(cc(c1)NC(=O)C=CC(=O)O)C(=O)N","InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-","","2012-05-11","2012-08-31","(2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid","2012-08-31"],["I7F","O-hydroxy-L-serine","C3 H7 N O4","N[CH](COO)C(O)=O;C(C(C(=O)O)N)OO","InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","(2S)-2-amino-3-hydroperoxypropanoic acid","2022-02-17","2024-09-27","(2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid","2022-10-26"],["I7G","~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate","C12 H21 N O2 S","CCCCCC=CC(=O)SCCNC(C)=O;CCCCCC=CC(=O)SCCNC(=O)C","InChI=1S/C12H21NO2S/c1-3-4-5-6-7-8-12(15)16-10-9-13-11(2)14/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)/b8-7+","S-2-acetamidoethyl (e)-oct-2-enethioate ","2023-07-26","2024-07-19","~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate","2024-07-24"],["0RZ","(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid","C11 H10 N2 O4","O=C(Nc1cc(ccc1)C(=O)N)C=CC(=O)O;NC(=O)c1cccc(NC(=O)C=CC(O)=O)c1;c1cc(cc(c1)NC(=O)C=CC(=O)O)C(=O)N","InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4+","","2012-05-11","2012-08-31","(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid","2012-08-31"],["I7H","(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde","C31 H31 Cl F N5 O3","Clc1cccc2cccc(c12)c1ncc2c(nc(nc2N2CCC(C=O)C(O)C2)OCC23CCCN3CCC2)c1F;O[CH]1CN(CC[CH]1C=O)c2nc(OCC34CCCN3CCC4)nc5c(F)c(ncc25)c6cccc7cccc(Cl)c67;c1cc2cccc(c2c(c1)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7CCC(C(C7)O)C=O)F)Cl","InChI=1S/C31H31ClFN5O3/c32-23-8-2-6-19-5-1-7-21(25(19)23)27-26(33)28-22(15-34-27)29(37-14-9-20(17-39)24(40)16-37)36-30(35-28)41-18-31-10-3-12-38(31)13-4-11-31/h1-2,5-8,15,17,20,24,40H,3-4,9-14,16,18H2/t20-,24-/m0/s1","(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one","2022-01-20","2024-09-27","(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde","2022-08-03"],["0S0","4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide","C11 H10 N4 O4 S","O=C2C(/N=N/c1ccc(cc1)S(=O)(=O)N)=CC=C(O)N2;N[S](=O)(=O)c1ccc(cc1)N=NC2=CC=C(O)NC2=O;c1cc(ccc1N=NC2=CC=C(NC2=O)O)S(=O)(=O)N","InChI=1S/C11H10N4O4S/c12-20(18,19)8-3-1-7(2-4-8)14-15-9-5-6-10(16)13-11(9)17/h1-6H,(H2,12,18,19)(H2,13,16,17)/b15-14+","","2012-05-14","2012-08-17","4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide",""],["0S1","N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form","C14 H19 N O3 S","O=S(=O)(NC1C(CC=C)CC1O)c2ccc(cc2)C;Cc1ccc(cc1)[S](=O)(=O)N[CH]2[CH](O)C[CH]2CC=C;Cc1ccc(cc1)S(=O)(=O)NC2C(CC2O)CC=C","InChI=1S/C14H19NO3S/c1-3-4-11-9-13(16)14(11)15-19(17,18)12-7-5-10(2)6-8-12/h3,5-8,11,13-16H,1,4,9H2,2H3/t11-,13-,14+/m0/s1","","2012-05-14","2024-09-27","N-[(1R,2S,4S)-2-hydroxy-4-(prop-2-en-1-yl)cyclobutyl]-4-methylbenzenesulfonamide","2012-08-24"],["I7I","[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C37 H47 N9 O17 P2","CC[CH](N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6)c7ccc(O)c(OC)c7;CCC(c1ccc(c(c1)OC)O)N2c3cc(c(cc3N(C4=C2C(=O)NC(=O)N4)CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)C)C","InChI=1S/C37H47N9O17P2/c1-5-19(18-6-7-22(47)25(10-18)59-4)46-21-9-17(3)16(2)8-20(21)44(34-28(46)35(53)43-37(54)42-34)11-23(48)29(50)24(49)12-60-64(55,56)63-65(57,58)61-13-26-30(51)31(52)36(62-26)45-15-41-27-32(38)39-14-40-33(27)45/h6-10,14-15,19,23-24,26,29-31,36,47-52H,5,11-13H2,1-4H3,(H,55,56)(H,57,58)(H2,38,39,40)(H2,42,43,53,54)/t19-,23+,24-,26+,29+,30-,31-,36-/m1/s1","","2022-02-17","2024-09-27","[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2022-11-16"],["I7J","propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate","C21 H24 F N5 O5 S","CC(C)OC(=O)N1CCC(CC1)Oc2ncnc3n(ncc23)c4ccc(cc4F)[S](C)(=O)=O;CC(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)c4ccc(cc4F)S(=O)(=O)C","InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3","","2022-06-12","2022-08-19","propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate","2022-08-24"],["0S2","5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid","C22 H31 N O3 S","O=C(N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(C)C)C2CCC(C)CC2;CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c2cc(sc2C(O)=O)C#CC(C)(C)C;CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C","InChI=1S/C22H31NO3S/c1-14(2)23(20(24)16-9-7-15(3)8-10-16)18-13-17(11-12-22(4,5)6)27-19(18)21(25)26/h13-16H,7-10H2,1-6H3,(H,25,26)/t15-,16-","","2012-05-14","2012-06-22","5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid",""],["I7K","1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid","C20 H17 N O8 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCC(CC1)C(=O)O;OC(=O)C1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O","InChI=1S/C20H17NO8S/c22-16-11-3-1-2-4-12(11)17(23)15-13(16)9-14(18(24)19(15)25)30(28,29)21-7-5-10(6-8-21)20(26)27/h1-4,9-10,24-25H,5-8H2,(H,26,27)","","2022-01-20","2022-03-11","1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid","2022-03-16"],["0S3","5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid","C21 H30 N2 O3 S","O=C(N(N(C)C)c1cc(C#CC(C)(C)C)sc1C(=O)O)C2CCC(C)CC2;C[CH]1CC[CH](CC1)C(=O)N(N(C)C)c2cc(sc2C(O)=O)C#CC(C)(C)C;CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C","InChI=1S/C21H30N2O3S/c1-14-7-9-15(10-8-14)19(24)23(22(5)6)17-13-16(11-12-21(2,3)4)27-18(17)20(25)26/h13-15H,7-10H2,1-6H3,(H,25,26)/t14-,15-","","2012-05-14","2012-06-22","5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid",""],["I7L","2-naphthalen-2-ylethanoic acid","C12 H10 O2","O=C(O)Cc1ccc2ccccc2c1;OC(=O)Cc1ccc2ccccc2c1;c1ccc2cc(ccc2c1)CC(=O)O","InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)","","2022-02-17","2024-12-20","(naphthalen-2-yl)acetic acid","2022-06-29"],["0S4","N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide","C27 H39 N O5","O=C(NO)COc1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC;CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(OCC(=O)NO)c(C)c2;CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO","InChI=1S/C27H39NO5/c1-8-27(9-2,21-11-13-23(19(4)15-21)33-17-25(30)28-31)20-10-12-22(18(3)14-20)32-16-24(29)26(5,6)7/h10-15,24,29,31H,8-9,16-17H2,1-7H3,(H,28,30)/t24-/m0/s1","","2012-08-24","2012-09-14","N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide","2012-09-14"],["I7M","3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide","C41 H47 N7 O5","COc1nc(O[CH]2CCc3c2cccc3c4cccc(C(=O)Nc5ccc(CNC[CH]6CCC(=O)N6)cn5)c4C)c(C)cc1CNC[CH]7CCC(=O)N7;Cc1cc(c(nc1OC2CCc3c2cccc3c4cccc(c4C)C(=O)Nc5ccc(cn5)CNCC6CCC(=O)N6)OC)CNCC7CCC(=O)N7","InChI=1S/C41H47N7O5/c1-24-18-27(21-43-23-29-12-17-38(50)46-29)41(52-3)48-40(24)53-35-14-13-33-32(8-5-9-34(33)35)30-6-4-7-31(25(30)2)39(51)47-36-15-10-26(20-44-36)19-42-22-28-11-16-37(49)45-28/h4-10,15,18,20,28-29,35,42-43H,11-14,16-17,19,21-23H2,1-3H3,(H,45,49)(H,46,50)(H,44,47,51)/t28-,29-,35-/m0/s1","","2023-07-27","2023-12-29","3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide","2024-01-03"],["0S5","N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamide","C22 H29 N3 O5","O=C(NC(=O)c1ccccc1)C3N(C(=O)C(CC2CCCC2)CN(O)C=O)CCC3;ON(C[CH](CC1CCCC1)C(=O)N2CCC[CH]2C(=O)NC(=O)c3ccccc3)C=O;c1ccc(cc1)C(=O)NC(=O)C2CCCN2C(=O)C(CC3CCCC3)CN(C=O)O","InChI=1S/C22H29N3O5/c26-15-24(30)14-18(13-16-7-4-5-8-16)22(29)25-12-6-11-19(25)21(28)23-20(27)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,30H,4-8,11-14H2,(H,23,27,28)/t18-,19+/m1/s1","","2012-05-16","2012-05-25","N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamide",""],["I7N","N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid","C24 H22 N2 O11 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)NC(CC(=O)O)C(=O)O;OC(=O)C[CH](NC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCCC(C4)C(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C24H22N2O11S/c27-17(28)9-15(24(34)35)25-23(33)11-4-3-7-26(10-11)38(36,37)16-8-14-18(22(32)21(16)31)20(30)13-6-2-1-5-12(13)19(14)29/h1-2,5-6,8,11,15,31-32H,3-4,7,9-10H2,(H,25,33)(H,27,28)(H,34,35)/t11-,15+/m1/s1","","2022-01-21","2022-03-11","N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid","2022-03-16"],["0S6","methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate","C20 H19 Cl N4 O2 S","O=C(OC)CC3N=C(c1ccc(Cl)cc1)c4c(c(sc4n2c(nnc23)C)C)C;COC(=O)C[CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C","InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1","","2012-05-16","2012-09-07","methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate","2012-09-07"],["I7O","2-indol-1-ylethanoic acid","C10 H9 N O2","OC(=O)Cn1ccc2ccccc12;c1ccc2c(c1)ccn2CC(=O)O","InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)","","2022-02-17","2022-08-22","2-indol-1-ylethanoic acid","2022-06-29"],["0S7","5-bromo-N~4~-(3-methyl-1H-pyrazol-5-yl)-N~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine","C15 H16 Br N7","Brc1c(nc(nc1)NCCc2cccnc2)Nc3cc(nn3)C;Cc1cc([nH]n1)Nc2nc(NCCc3cccnc3)ncc2Br;Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br","InChI=1S/C15H16BrN7/c1-10-7-13(23-22-10)20-14-12(16)9-19-15(21-14)18-6-4-11-3-2-5-17-8-11/h2-3,5,7-9H,4,6H2,1H3,(H3,18,19,20,21,22,23)","","2012-05-17","2012-06-01","5-bromo-N~4~-(3-methyl-1H-pyrazol-5-yl)-N~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine",""],["0S8","5-bromo-N~4~-[3-(3-methoxypropyl)-1H-pyrazol-5-yl]-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine","C16 H20 Br N7 O2","Brc1c(nc(nc1)NCc2onc(c2)C)Nc3cc(nn3)CCCOC;COCCCc1cc([nH]n1)Nc2nc(NCc3onc(C)c3)ncc2Br;Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br","InChI=1S/C16H20BrN7O2/c1-10-6-12(26-24-10)8-18-16-19-9-13(17)15(21-16)20-14-7-11(22-23-14)4-3-5-25-2/h6-7,9H,3-5,8H2,1-2H3,(H3,18,19,20,21,22,23)","","2012-05-17","2012-06-01","5-bromo-N~4~-[3-(3-methoxypropyl)-1H-pyrazol-5-yl]-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine",""],["I7P","(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H19 O27 P7","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+","1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate","2011-08-08","2020-06-17","(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate",""],["0S9","5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine","C20 H20 Br N7 O","Brc1c(nc(nc1)NCc2onc(c2)C)Nc3cc(nn3)CCc4ccccc4;Cc1cc(CNc2ncc(Br)c(Nc3[nH]nc(CCc4ccccc4)c3)n2)on1;Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br","InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27)","","2012-05-17","2012-06-01","5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine",""],["I7Q","N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide","C25 H35 N O4","CC(C)C1(CCN(Cc2ccc(OC)cc2)C(=O)c2ccco2)CC(C)(C)OCC1;COc1ccc(CN(CC[C]2(CCOC(C)(C)C2)C(C)C)C(=O)c3occc3)cc1;CC(C)C1(CCOC(C1)(C)C)CCN(Cc2ccc(cc2)OC)C(=O)c3ccco3","InChI=1S/C25H35NO4/c1-19(2)25(13-16-30-24(3,4)18-25)12-14-26(23(27)22-7-6-15-29-22)17-20-8-10-21(28-5)11-9-20/h6-11,15,19H,12-14,16-18H2,1-5H3/t25-/m1/s1","","2023-07-31","2024-06-07","N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide","2024-06-12"],["I7R","(4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid","C22 H32 N6 O3","O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N1CCN(C)CC1;CN1CCN(CC1)C(=N)c2ccc(cc2)C3=NO[CH](CN4CCN(CC4)CC(O)=O)C3;CN1CCN(CC1)C(=N)c2ccc(cc2)C3=NOC(C3)CN4CCN(CC4)CC(=O)O","InChI=1S/C22H32N6O3/c1-25-6-12-28(13-7-25)22(23)18-4-2-17(3-5-18)20-14-19(31-24-20)15-26-8-10-27(11-9-26)16-21(29)30/h2-5,19,23H,6-16H2,1H3,(H,29,30)/b23-22+/t19-/m0/s1","","2022-01-21","2022-08-12","(4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid","2022-08-17"],["0SA","undecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside","C23 H44 O10 S","S(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCCS[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C23H44O10S/c1-2-3-4-5-6-7-8-9-10-11-34-23-20(30)18(28)21(15(13-25)32-23)33-22-19(29)17(27)16(26)14(12-24)31-22/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23+/m1/s1","","2012-05-18","2012-09-21","undecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside","2012-09-21"],["I7S","6-methylpyridine-2,3-dicarboxylic acid","C8 H7 N O4","Cc1ccc(C(O)=O)c(n1)C(O)=O;Cc1ccc(c(n1)C(=O)O)C(=O)O","InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)","","2022-02-17","2022-08-22","6-methylpyridine-2,3-dicarboxylic acid","2022-06-29"],["0SB","N-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine","C21 H20 F3 N5","FC(F)(F)c1cc(ncc1)Nc2nc(ccc2)c3cc(ccc3)N4CCNCC4;FC(F)(F)c1ccnc(Nc2cccc(n2)c3cccc(c3)N4CCNCC4)c1;c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F","InChI=1S/C21H20F3N5/c22-21(23,24)16-7-8-26-20(14-16)28-19-6-2-5-18(27-19)15-3-1-4-17(13-15)29-11-9-25-10-12-29/h1-8,13-14,25H,9-12H2,(H,26,27,28)","","2012-05-21","2012-12-07","N-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine","2012-12-07"],["0SC","2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol","C28 H33 F N6 O2","Fc6ccc1c(ccn1)c6c3nc(N2CCOCC2)c4nc(ccc4n3)CN5CCC(C(O)(C)C)CC5;CC(C)(O)C1CCN(CC1)Cc2ccc3nc(nc(N4CCOCC4)c3n2)c5c(F)ccc6[nH]ccc56;CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O","InChI=1S/C28H33FN6O2/c1-28(2,36)18-8-11-34(12-9-18)17-19-3-5-23-25(31-19)27(35-13-15-37-16-14-35)33-26(32-23)24-20-7-10-30-22(20)6-4-21(24)29/h3-7,10,18,30,36H,8-9,11-17H2,1-2H3","","2012-05-21","2013-04-12","2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol","2013-04-17"],["I7T","7-IODOTETRACYCLINE","C21 H21 I N2 O7","O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(O)ccc(I)c3C4;CN(C)[CH]1[CH]2C[CH]3Cc4c(I)ccc(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O;CN(C)C1C2CC3Cc4c(ccc(c4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)I","InChI=1S/C21H21IN2O7/c1-24(2)15-9-6-7-5-8-10(22)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(23)30/h3-4,7,9,15,25,27-28,31H,5-6H2,1-2H3,(H2,23,30)/t7-,9-,15-,21-/m0/s1","","2010-04-05","2011-06-04","(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-iodo-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["I7U","3-methyl-7~{H}-purine-2,6-dione","C6 H6 N4 O2","CN1C(=O)NC(=O)c2[nH]cnc12;CN1c2c([nH]cn2)C(=O)NC1=O","InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)","3-Methylxanthine; 1076-22-8","2023-07-27","2025-04-11","3-methyl-7~{H}-purine-2,6-dione","2025-04-16"],["0SD","2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol","C27 H33 N7 O2","n3c(nc1c(nc(cc1)CN2CCC(C(O)(C)C)CC2)c3N4CCOCC4)c6cccc5nncc56;CC(C)(O)C1CCN(CC1)Cc2ccc3nc(nc(N4CCOCC4)c3n2)c5cccc6n[nH]cc56;CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O","InChI=1S/C27H33N7O2/c1-27(2,35)18-8-10-33(11-9-18)17-19-6-7-23-24(29-19)26(34-12-14-36-15-13-34)31-25(30-23)20-4-3-5-22-21(20)16-28-32-22/h3-7,16,18,35H,8-15,17H2,1-2H3,(H,28,32)","","2012-05-21","2013-04-12","2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol","2013-04-17"],["0SE","2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol","C24 H32 N8 O2","n3c(nc1c(nc(cc1)CN2CCC(C(O)(C)C)CC2)c3N4CCOCC4)c5cnc(nc5)N;CC(C)(O)C1CCN(CC1)Cc2ccc3nc(nc(N4CCOCC4)c3n2)c5cnc(N)nc5;CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O","InChI=1S/C24H32N8O2/c1-24(2,33)17-5-7-31(8-6-17)15-18-3-4-19-20(28-18)22(32-9-11-34-12-10-32)30-21(29-19)16-13-26-23(25)27-14-16/h3-4,13-14,17,33H,5-12,15H2,1-2H3,(H2,25,26,27)","","2012-05-21","2013-04-12","2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol","2013-04-17"],["I7V","(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid","C20 H17 N O8 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)O;OC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCCC(C4)C(=O)O","InChI=1S/C20H17NO8S/c22-16-11-5-1-2-6-12(11)17(23)15-13(16)8-14(18(24)19(15)25)30(28,29)21-7-3-4-10(9-21)20(26)27/h1-2,5-6,8,10,24-25H,3-4,7,9H2,(H,26,27)/t10-/m1/s1","","2022-01-21","2022-03-11","(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid","2022-03-16"],["0SF","(2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol","C24 H21 Cl F7 N3 O3","FC(F)C(F)(F)Oc1cccc(c1)CN(c3nc(Oc2cc(c(Cl)cc2)CC)ccn3)CC(O)C(F)(F)F;CCc1cc(Oc2ccnc(n2)N(C[CH](O)C(F)(F)F)Cc3cccc(OC(F)(F)C(F)F)c3)ccc1Cl;CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)CC(C(F)(F)F)O","InChI=1S/C24H21ClF7N3O3/c1-2-15-11-16(6-7-18(15)25)37-20-8-9-33-22(34-20)35(13-19(36)23(28,29)30)12-14-4-3-5-17(10-14)38-24(31,32)21(26)27/h3-11,19,21,36H,2,12-13H2,1H3/t19-/m1/s1","","2012-05-21","2012-08-31","(2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol","2012-08-31"],["I7W","6-fluoranylnaphthalene-2-carboxylic acid","C11 H7 F O2","OC(=O)c1ccc2cc(F)ccc2c1;c1cc(cc2c1cc(cc2)F)C(=O)O","InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)","","2022-02-17","2022-08-22","6-fluoranylnaphthalene-2-carboxylic acid","2022-06-29"],["I7X","6-imidazol-1-ylhexanoic acid","C9 H14 N2 O2","OC(=O)CCCCCn1ccnc1;c1cn(cn1)CCCCCC(=O)O","InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)","","2022-06-14","2024-09-27","6-imidazol-1-ylhexanoic acid","2023-06-14"],["0SG","N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide","C36 H69 N O14 S2","O=S(=O)(O)OCC1OC(OCC(NC(=O)CCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C(O)C(OS(=O)(=O)O)C1O;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)NC(=O)CCCCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O","InChI=1S/C36H69NO14S2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)29(37-32(39)26-24-22-20-17-12-10-8-6-4-2)27-48-36-34(41)35(51-53(45,46)47)33(40)31(50-36)28-49-52(42,43)44/h23,25,29-31,33-36,38,40-41H,3-22,24,26-28H2,1-2H3,(H,37,39)(H,42,43,44)(H,45,46,47)/b25-23+/t29-,30+,31+,33-,34+,35-,36+/m0/s1","","2012-05-22","2012-11-09","N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide","2012-11-09"],["I7Y","(2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C45 H74 O15","OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1;COC[CH](CCO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH]5O[C]6(CC[CH](C)CO6)[CH](C)[CH]45)[CH]3CC=C2C1)CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1","InChI=1S/C45H74O15/c1-23-8-14-45(56-20-23)24(2)34-31(60-45)17-30-28-7-6-26-16-27(9-12-43(26,3)29(28)10-13-44(30,34)4)54-15-11-25(21-53-5)22-55-41-39(52)37(50)40(33(19-47)58-41)59-42-38(51)36(49)35(48)32(18-46)57-42/h6,23-25,27-42,46-52H,7-22H2,1-5H3/t23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-/m1/s1","","2022-01-21","2022-12-09","(2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2022-12-14"],["0SH","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide","C40 H79 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C40H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(44)41-32(31-49-40-39(48)38(47)37(46)34(30-42)50-40)36(45)33(43)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,36-40,42-43,45-48H,3-31H2,1-2H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1","","2012-05-22","2012-11-09","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide","2012-11-09"],["0SI","8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","C18 H13 N O2 S","O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13;c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O","InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20)","","2021-06-09","2021-12-03","8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","2021-12-08"],["I7Z","2-azanyl-4-chloranyl-benzenecarbonitrile","C7 H5 Cl N2","Nc1cc(Cl)ccc1C#N;c1cc(c(cc1Cl)N)C#N","InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2","","2022-02-17","2022-08-22","2-azanyl-4-chloranyl-benzenecarbonitrile","2022-06-29"],["0SJ","(1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","C18 H17 Cl N2 O2","Clc1ccc(cc1)C(=O)N4CC3CN2C(=O)C=CC=C2C(C3)C4;Clc1ccc(cc1)C(=O)N2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3;c1cc(ccc1C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)Cl","InChI=1S/C18H17ClN2O2/c19-15-6-4-13(5-7-15)18(23)20-9-12-8-14(11-20)16-2-1-3-17(22)21(16)10-12/h1-7,12,14H,8-11H2/t12-,14+/m0/s1","","2012-05-23","2012-11-30","(1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","2012-11-30"],["I80","(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide","C24 H30 F3 N3 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)COc4ccc(OC(F)(F)F)cc4;CC1(C2C1C(N(C2)C(=O)COc3ccc(cc3)OC(F)(F)F)C(=O)NC(CC4CCNC4=O)CO)C","InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1","","2021-10-01","2024-09-27","(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-11-09"],["0SK","8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one","C17 H18 F3 N3 O4 S","FC(F)(F)c2cc(c1SC(=NC(=O)c1c2)N4CCC3(OCC(O3)C)CC4)NO;C[CH]1COC2(CCN(CC2)C3=NC(=O)c4cc(cc(NO)c4S3)C(F)(F)F)O1;CC1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F","InChI=1S/C17H18F3N3O4S/c1-9-8-26-16(27-9)2-4-23(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(22-25)13(11)28-15/h6-7,9,22,25H,2-5,8H2,1H3/t9-/m0/s1","","2012-05-23","2024-09-27","8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one","2012-08-31"],["I81","1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide","C14 H20 N2 O2","NC(=O)C1CCN(Cc2cc(OC)ccc2)CC1;COc1cccc(CN2CCC(CC2)C(N)=O)c1;COc1cccc(c1)CN2CCC(CC2)C(=O)N","InChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)10-16-7-5-12(6-8-16)14(15)17/h2-4,9,12H,5-8,10H2,1H3,(H2,15,17)","","2022-01-21","2022-02-04","1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide","2022-02-09"],["I82","~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C12 H11 N5","CNc1ncnc2c([nH]nc12)c3ccccc3;CNc1c2c(c([nH]n2)c3ccccc3)ncn1","InChI=1S/C12H11N5/c1-13-12-11-10(14-7-15-12)9(16-17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15)","","2022-02-17","2022-08-22","~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2022-03-02"],["0SL","(3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid","C16 H17 N O4 S","O=S(=O)(c2cc1ccccc1cc2)N3CCCC(C(=O)O)C3;OC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2ccc3ccccc3c2;c1ccc2cc(ccc2c1)S(=O)(=O)N3CCCC(C3)C(=O)O","InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1","","2012-05-23","2012-10-05","(3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid","2012-10-05"],["I83","bis(chloranyl)-(dimethylamino)-(methylamino)platinum","C3 H10 Cl2 N2 Pt","Cl[Pt](Cl)(NC)N(C)C;CN[Pt](Cl)(Cl)N(C)C;CN[Pt](N(C)C)(Cl)Cl","InChI=1S/C2H6N.CH4N.2ClH.Pt/c1-3-2;1-2;;;/h1-2H3;2H,1H3;2*1H;/q2*-1;;;+4/p-2","trans-dimethylamine methylamine dichlorido platinum(II)","2014-06-09","2021-03-01","platinum(4+) chloride dimethylazanide methylazanide (1:2:1:1)","2014-07-30"],["0SM","TRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM","C27 H58 N2 O6 P","O=P(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C)(OCC[N+](C)(C)C)O;CCCCCCCCCCCCCCCCCC(=O)N[CH](CO[P](O)(=O)OCC[N+](C)(C)C)[CH](C)O;CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C)O","InChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-26(25(2)30)24-35-36(32,33)34-23-22-29(3,4)5/h25-26,30H,6-24H2,1-5H3,(H-,28,31,32,33)/p+1/t25-,26-/m0/s1","N-OCTADECANOYL-D-ERYTHRO-SPHINGOSYLPHOSPHORYLCHOLINE","2011-08-10","2020-06-17","(4S,7S)-4-hydroxy-7-[(1S)-1-hydroxyethyl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium 4-oxide","2012-09-14"],["0SN","{4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID","C25 H27 N3 O6 S","O=C(O)C(C(=O)O)Cc1ccc(cc1)CCCC(=O)NCCC(=O)Nc2ccc3nc(sc3c2)C;Cc1sc2cc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)ccc2n1;Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O","InChI=1S/C25H27N3O6S/c1-15-27-20-10-9-18(14-21(20)35-15)28-23(30)11-12-26-22(29)4-2-3-16-5-7-17(8-6-16)13-19(24(31)32)25(33)34/h5-10,14,19H,2-4,11-13H2,1H3,(H,26,29)(H,28,30)(H,31,32)(H,33,34)","","2012-02-16","2014-09-14","{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid",""],["I84","[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE","C19 H22 N2 O5 S","O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C;Cc1ccccc1CC(=O)Nc2cc(C)c(c(C)c2)[S](=O)(=O)NCC(O)=O;Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C","InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)","INHIBITOR IDD 384","2000-03-21","2021-03-01","N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine",""],["I85","N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide","C24 H22 F3 N5 O2","FC(F)(F)c1cccc(c1)C(=O)Nc2nccc(c2)c5nc3c(C(=O)NCC34CNCCC4)c5;FC(F)(F)c1cccc(c1)C(=O)Nc2cc(ccn2)c3[nH]c4c(c3)C(=O)NC[C]45CCCNC5;c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)C5(CCCNC5)CNC4=O","InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)/t23-/m0/s1","","2011-06-17","2011-12-09","N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide",""],["0SO","tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate","C23 H35 N5 O3","O=C(OC(C)(C)C)NCCCNC(=O)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)NCCCNC(=O)OC(C)(C)C)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C","InChI=1S/C23H35N5O3/c1-16-9-11-17(12-10-16)28-19(15-18(27-28)22(2,3)4)26-20(29)24-13-8-14-25-21(30)31-23(5,6)7/h9-12,15H,8,13-14H2,1-7H3,(H,25,30)(H2,24,26,29)","","2012-05-24","2013-04-26","tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate","2013-05-01"],["I87","(2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide","C9 H20 N2 O3 S","CC1CN(CCO1)S(=O)(=O)N(C)C(C)C;CC(C)N(C)[S](=O)(=O)N1CCO[CH](C)C1;CC1CN(CCO1)S(=O)(=O)N(C)C(C)C","InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1","","2022-01-21","2022-02-04","(2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide","2022-02-09"],["0SP","2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)","C16 H26 N5 O6 P S2","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCCSSCCC)CC3O;CCCSSCCCNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCCSSCCCNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1/C16H26N5O6PS2/c1-2-5-29-30-6-3-4-17-15-14-16(19-9-18-15)21(10-20-14)13-7-11(22)12(27-13)8-26-28(23,24)25/h9-13,22H,2-8H2,1H3,(H,17,18,19)(H2,23,24,25)/t11-,12+,13+/m0/s1/f/h17,23-24H","","2008-03-28","2009-08-25","2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)",""],["I88","methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2,7-bis(oxidanyl)heptanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate","C23 H37 N3 O7","COC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](O)[CH](N)CCCCO;CC(C)CC(C(=O)NC(Cc1ccc(cc1)O)C(=O)OC)NC(=O)C(C(CCCCO)N)O","InChI=1S/C23H37N3O7/c1-14(2)12-18(25-22(31)20(29)17(24)6-4-5-11-27)21(30)26-19(23(32)33-3)13-15-7-9-16(28)10-8-15/h7-10,14,17-20,27-29H,4-6,11-13,24H2,1-3H3,(H,25,31)(H,26,30)/t17-,18+,19+,20+/m1/s1","","2022-02-17","2022-08-22","methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2,7-bis(oxidanyl)heptanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate","2022-07-27"],["0SQ","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","C15 H20 N4 O","O=C(N)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(N)=O)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N","InChI=1S/C15H20N4O/c1-10-5-7-11(8-6-10)19-13(17-14(16)20)9-12(18-19)15(2,3)4/h5-9H,1-4H3,(H3,16,17,20)","","2012-05-24","2013-04-26","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","2013-05-01"],["I8A","N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide","C12 H22 N2 O","CC1(C)N(CC1(C)C)C(=O)NCC1CC1;CC1(C)CN(C(=O)NCC2CC2)C1(C)C;CC1(CN(C1(C)C)C(=O)NCC2CC2)C","InChI=1S/C12H22N2O/c1-11(2)8-14(12(11,3)4)10(15)13-7-9-5-6-9/h9H,5-8H2,1-4H3,(H,13,15)","","2022-01-21","2022-02-04","N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide","2022-02-09"],["0SR","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea","C22 H33 N5 O2","O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)NCCCN3CCOCC3;Cc1ccc(cc1)n2nc(cc2NC(=O)NCCCN3CCOCC3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3","InChI=1S/C22H33N5O2/c1-17-6-8-18(9-7-17)27-20(16-19(25-27)22(2,3)4)24-21(28)23-10-5-11-26-12-14-29-15-13-26/h6-9,16H,5,10-15H2,1-4H3,(H2,23,24,28)","","2012-05-24","2013-04-26","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea","2013-05-01"],["I8B","(2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid","C24 H28 N4 O4 S","Cc1ccc(c2ccccc12)[S](=O)(=O)N[CH](CCN)C(=O)N[CH](Cc3ccccc3)C(O)=N;Cc1ccc(c2c1cccc2)S(=O)(=O)NC(CCN)C(=O)NC(Cc3ccccc3)C(=N)O","InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1","","2022-06-14","2022-07-29","(2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid","2022-08-03"],["0SS","N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide","C36 H49 N9 O2","O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)NCCN5CCN(C(=O)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C)CC5;Cc1ccc(cc1)n2nc(cc2NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C","InChI=1S/C36H49N9O2/c1-25-9-13-27(14-10-25)44-31(23-29(40-44)35(3,4)5)38-33(46)37-17-18-42-19-21-43(22-20-42)34(47)39-32-24-30(36(6,7)8)41-45(32)28-15-11-26(2)12-16-28/h9-16,23-24H,17-22H2,1-8H3,(H,39,47)(H2,37,38,46)","","2012-05-24","2013-04-26","N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide","2013-05-01"],["I8D","(4-chlorophenyl)(thiomorpholin-4-yl)methanone","C11 H12 Cl N O S","O=C(c1ccc(Cl)cc1)N1CCSCC1;Clc1ccc(cc1)C(=O)N2CCSCC2;c1cc(ccc1C(=O)N2CCSCC2)Cl","InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2","","2022-01-21","2022-02-04","(4-chlorophenyl)(thiomorpholin-4-yl)methanone","2022-02-09"],["0ST","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea","C21 H31 N5 O2","O=C(NCCN1CCOCC1)Nc3cc(nn3c2ccc(cc2)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)NCCN3CCOCC3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3","InChI=1S/C21H31N5O2/c1-16-5-7-17(8-6-16)26-19(15-18(24-26)21(2,3)4)23-20(27)22-9-10-25-11-13-28-14-12-25/h5-8,15H,9-14H2,1-4H3,(H2,22,23,27)","","2012-05-24","2013-04-26","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea","2013-05-01"],["0SU","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea","C17 H24 N4 O2","O=C(NCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)NCCO)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO","InChI=1S/C17H24N4O2/c1-12-5-7-13(8-6-12)21-15(19-16(23)18-9-10-22)11-14(20-21)17(2,3)4/h5-8,11,22H,9-10H2,1-4H3,(H2,18,19,23)","","2012-05-24","2013-04-26","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea","2013-05-01"],["I8E","Tetrahydrocannabivarin","C19 H26 O2","CCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1;CCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1;CCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O","InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1","(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol; THCV; THV; O-4394; GWP42004","2023-05-04","2023-08-18","(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol","2023-08-23"],["I8F","(2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","C24 H34 N2 O4","OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCCC3;c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCCN2C(=O)CCC3CCCCC3","InChI=1S/C24H34N2O4/c27-22(15-14-18-9-3-1-4-10-18)26-16-8-7-13-21(26)23(28)25-20(24(29)30)17-19-11-5-2-6-12-19/h2,5-6,11-12,18,20-21H,1,3-4,7-10,13-17H2,(H,25,28)(H,29,30)/t20-,21-/m0/s1","","2022-06-14","2023-06-02","(2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","2023-06-07"],["0SV","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea","C20 H30 N4 O2","O=C(NCCCCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)NCCCCCO)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO","InChI=1S/C20H30N4O2/c1-15-8-10-16(11-9-15)24-18(14-17(23-24)20(2,3)4)22-19(26)21-12-6-5-7-13-25/h8-11,14,25H,5-7,12-13H2,1-4H3,(H2,21,22,26)","","2012-05-24","2013-04-26","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea","2013-05-01"],["I8G","2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one","C12 H14 F N O2","O=C(COc1ccc(F)cc1)N1CCCC1;Fc1ccc(OCC(=O)N2CCCC2)cc1;c1cc(ccc1OCC(=O)N2CCCC2)F","InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2","","2022-01-21","2022-02-04","2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one","2022-02-09"],["0SW","N-(2-phenylethyl)quinazolin-4-amine","C16 H15 N3","n2c1c(cccc1)c(nc2)NCCc3ccccc3;C(Cc1ccccc1)Nc2ncnc3ccccc23;c1ccc(cc1)CCNc2c3ccccc3ncn2","InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)","","2012-05-24","2013-04-26","N-(2-phenylethyl)quinazolin-4-amine","2013-05-01"],["I8H","(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C28 H48 N6 O6","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O)C","InChI=1S/C28H48N6O6/c1-26(2,3)20(32-25(40)33-27(4,5)6)24(39)34-13-15-17(28(15,7)8)18(34)22(37)31-16(19(35)23(38)29-9)12-14-10-11-30-21(14)36/h14-20,35H,10-13H2,1-9H3,(H,29,38)(H,30,36)(H,31,37)(H2,32,33,40)/t14-,15-,16-,17-,18-,19+,20+/m0/s1","","2022-02-23","2024-09-27","(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-04-27"],["0SX","8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one","C14 H12 Cl N3 O2","Clc4cc3c(oc1c3N=C(NC1=O)C2NCCC2)cc4;Clc1ccc2oc3C(=O)NC(=Nc3c2c1)[CH]4CCCN4;c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)C4CCCN4","InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1","","2012-05-24","2012-10-26","8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one","2012-10-26"],["I8J","5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine","C9 H14 F N O2 S","FC=1CN(CCC=1)S(=O)(=O)C1(C)CC1;CC1(CC1)[S](=O)(=O)N2CCC=C(F)C2;CC1(CC1)S(=O)(=O)N2CCC=C(C2)F","InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3","","2022-01-21","2022-02-04","5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine","2022-02-09"],["0SY","2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","C12 H11 N3 O","O=C2c1cc(nc1CCN2)c3ccncc3;O=C1NCCc2[nH]c(cc12)c3ccncc3;c1cnccc1c2cc3c([nH]2)CCNC3=O","InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)","","2012-05-24","2012-10-26","2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","2012-10-26"],["I8K","[4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane","C35 H55 B N O6","C[CH](CCC(=O)N1CCC(CC1)Oc2ccc(cc2)[BH](O)O)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C;[BH](c1ccc(cc1)OC2CCN(CC2)C(=O)CCC(C)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C)(O)O","InChI=1S/C35H55BNO6/c1-22(4-11-32(40)37-18-14-27(15-19-37)43-26-7-5-24(6-8-26)36(41)42)28-9-10-29-33-30(13-17-35(28,29)3)34(2)16-12-25(38)20-23(34)21-31(33)39/h5-8,22-23,25,27-31,33,36,38-39,41-42H,4,9-21H2,1-3H3/t22-,23+,25-,28-,29+,30+,31+,33+,34+,35-/m1/s1","","2022-02-24","2024-09-27","[4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane","2022-05-04"],["0SZ","3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid","C16 H15 N O4 S","O=C(O)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3;OC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2;c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O","InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)","","2012-05-24","2012-10-05","3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid","2012-10-05"],["I8L","(4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one","C7 H6 O4","O[CH]1OCC=C2OC(=O)C=C12;C1C=C2C(=CC(=O)O2)C(O1)O","InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2/t7-/m0/s1","","2022-06-15","2022-10-21","(4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one","2022-10-26"],["0T0","3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide","C17 H18 N2 O3 S","O=C(NC)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3;CNC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2;CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2","InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)","","2012-05-24","2012-10-05","3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide","2012-10-05"],["0T1","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]\n[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate","C22 H38 N7 O16 P3","O=C(NCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C22H38N7O16P3/c1-4-6-24-13(30)5-7-25-20(33)17(32)22(2,3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1","DETHIACOENZYME A","2012-05-29","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-(propylamino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)","2013-05-22"],["I8M","2-[(morpholin-4-yl)methyl]phenol","C11 H15 N O2","Oc1ccccc1CN1CCOCC1;Oc1ccccc1CN2CCOCC2;c1ccc(c(c1)CN2CCOCC2)O","InChI=1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2","","2022-01-21","2022-02-04","2-[(morpholin-4-yl)methyl]phenol","2022-02-09"],["0T2","2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide","C28 H24 Cl F N6 O3 S","N#CC(Oc1cccc(c1Cl)C(=O)Nc2c(F)ccc(c2)N(c3nc4sc(nc4cc3)NC(=O)C5CC5)C)(C)C;CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c3ccc4nc(NC(=O)C5CC5)sc4n3;CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5","InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)","","2012-05-30","2014-01-03","2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide","2014-01-08"],["I8N","6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole","C19 H21 N O3 S","COc1cc(CCc2sc3cc(C)ccc3n2)cc(OC)c1OC;Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H21NO3S/c1-12-5-7-14-17(9-12)24-18(20-14)8-6-13-10-15(21-2)19(23-4)16(11-13)22-3/h5,7,9-11H,6,8H2,1-4H3","","2022-02-24","2022-08-22","6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole","2022-03-30"],["I8P","(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]","C6 H20 O30 P8","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1","1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate","2011-08-08","2020-06-17","(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]",""],["0T3","4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile","C14 H13 N3","N#Cc1ccc(cc1)C3n2cncc2CCC3;N#Cc1ccc(cc1)[CH]2CCCc3cncn23;c1cc(ccc1C#N)C2CCCc3n2cnc3","InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1","fadrozole","2012-05-30","2021-03-01","4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile","2013-01-25"],["0T4","3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide","C16 H15 F3 N2 O2","FC(F)(F)c1cc(cc(NO)c1)C(=O)NC(c2ccccc2)C;C[CH](NC(=O)c1cc(NO)cc(c1)C(F)(F)F)c2ccccc2;CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F","InChI=1S/C16H15F3N2O2/c1-10(11-5-3-2-4-6-11)20-15(22)12-7-13(16(17,18)19)9-14(8-12)21-23/h2-10,21,23H,1H3,(H,20,22)/t10-/m1/s1","","2012-05-30","2024-09-27","3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide",""],["I8Q","4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","C14 H9 N O6 S","O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(N)c1O;Nc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O","InChI=1S/C14H9NO6S/c15-11-10-8(5-9(14(11)18)22(19,20)21)12(16)6-3-1-2-4-7(6)13(10)17/h1-5,18H,15H2,(H,19,20,21)","","2022-01-24","2022-03-11","4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","2022-03-16"],["I8R","2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol","C19 H21 N O5 S","COc1ccc(CCc2sc3c(OC)c(OC)c(OC)cc3n2)cc1O;COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC","InChI=1S/C19H21NO5S/c1-22-14-7-5-11(9-13(14)21)6-8-16-20-12-10-15(23-2)17(24-3)18(25-4)19(12)26-16/h5,7,9-10,21H,6,8H2,1-4H3","","2022-02-24","2022-08-22","2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol","2022-03-30"],["0T5","3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide","C16 H13 F3 N2 O3","O=[N+]([O-])c1cc(cc(c1)C(F)(F)F)C(=O)NC(c2ccccc2)C;C[CH](NC(=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O)c2ccccc2;CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F","InChI=1S/C16H13F3N2O3/c1-10(11-5-3-2-4-6-11)20-15(22)12-7-13(16(17,18)19)9-14(8-12)21(23)24/h2-10H,1H3,(H,20,22)/t10-/m1/s1","","2012-05-30","2012-06-29","3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide",""],["I8T","(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid","C16 H14 N6 O5","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(O)cc3)C(O)=O;c1cc(ccc1CC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N)O","InChI=1S/C16H14N6O5/c17-16-21-12-11(14(25)22-16)18-6-10(19-12)13(24)20-9(15(26)27)5-7-1-3-8(23)4-2-7/h1-4,6,9,23H,5H2,(H,20,24)(H,26,27)(H3,17,19,21,22,25)/t9-/m0/s1"," (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-tyrosine","2022-06-16","2022-12-16","(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid","2022-12-21"],["0T6","1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine","C18 H15 Cl N4 O2","Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C;COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl;Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC","InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3","","2012-05-31","2012-08-31","1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine","2012-08-31"],["I8U","3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","C14 H8 O6 S","O=S(=O)(O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O;Oc1cc2C(=O)c3ccccc3C(=O)c2cc1[S](O)(=O)=O;c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O","InChI=1S/C14H8O6S/c15-11-5-9-10(6-12(11)21(18,19)20)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,15H,(H,18,19,20)","","2022-01-24","2022-03-11","3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","2022-03-16"],["0T7","3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline","C25 H24 N4 O","n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C;CCCc1nc(C)c2n1c3ccc(OCc4ccc5ccccc5n4)cc3nc2C;CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C","InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3","","2012-05-31","2012-08-31","3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline","2012-08-31"],["0T8","4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide","C24 H33 N7 O2","O=C4N(CCCNC(=O)c2cnc(nc2NC1CCCC1)NCCc3ccncc3)CCC4;O=C1CCCN1CCCNC(=O)c2cnc(NCCc3ccncc3)nc2NC4CCCC4;c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O","InChI=1S/C24H33N7O2/c32-21-7-3-15-31(21)16-4-11-26-23(33)20-17-28-24(27-14-10-18-8-12-25-13-9-18)30-22(20)29-19-5-1-2-6-19/h8-9,12-13,17,19H,1-7,10-11,14-16H2,(H,26,33)(H2,27,28,29,30)","","2012-05-31","2013-03-08","4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide","2013-03-13"],["I8Y","3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","C14 H9 N O6 S","O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1N;Nc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1[S](O)(=O)=O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O","InChI=1S/C14H9NO6S/c15-11-9(22(19,20)21)5-8-10(14(11)18)13(17)7-4-2-1-3-6(7)12(8)16/h1-5,18H,15H2,(H,19,20,21)","","2022-01-24","2022-03-11","3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","2022-03-16"],["0T9"," (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one","C28 H44 O3","O=C(CCC(C)CC)C(C1C(=O)CC2C1(C)CCC3C2CC=C4C3(CCC(O)C4)C)C;CC[CH](C)CCC(=O)[CH](C)[CH]1C(=O)C[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CCC(C)CCC(=O)C(C)C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C28H44O3/c1-6-17(2)7-10-24(30)18(3)26-25(31)16-23-21-9-8-19-15-20(29)11-13-27(19,4)22(21)12-14-28(23,26)5/h8,17-18,20-23,26,29H,6-7,9-16H2,1-5H3/t17-,18+,20-,21+,22-,23-,26-,27-,28-/m0/s1","","2012-05-31","2013-06-07","(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one (non-preferred name)","2013-06-12"],["I8Z","Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate","C5 H10 O10 P2","O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12;C(C1C(C2C(O1)OP(=O)(O2)O)O)OP(=O)(O)O","InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1","[(5~{R},6~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate","2022-02-25","2023-09-18","[(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate","2022-05-25"],["I90","2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one","C25 H20 N6 O3","Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2;Cn1cc(cn1)c2cc3cc(ccc3nc2)CCN4C(=O)C=CC(=N4)c5cccc(c5)[N+](=O)[O-]","InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3","","2022-06-17","2022-11-18","2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one","2022-11-23"],["0TA","2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one","C16 H18 N6 O","O=C2N(c1nc(nc(c1C=C2c3cnnc3)C)N)C4CCCC4;Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4;Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4","InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)","","2012-06-04","2013-03-29","2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one","2013-04-03"],["I91","N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine","C16 H11 N O7 S","O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O;OC(=O)CN[S](=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2cc1O;c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O","InChI=1S/C16H11NO7S/c18-12-5-10-11(6-13(12)25(23,24)17-7-14(19)20)16(22)9-4-2-1-3-8(9)15(10)21/h1-6,17-18H,7H2,(H,19,20)","","2022-01-24","2022-03-11","N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine","2022-03-16"],["0TB","2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one","C18 H19 F N6 O2","Fc4cc(C1=Cc3c(nc(nc3N(C1=O)N2CCCC2)N)C)cnc4OC;COc1ncc(cc1F)C2=Cc3c(C)nc(N)nc3N(N4CCCC4)C2=O;Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4","InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)","","2012-06-04","2013-03-29","2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one","2013-04-03"],["0TD","(3S)-3-(methylsulfanyl)-L-aspartic acid","C5 H9 N O4 S","O=C(O)C(N)C(SC)C(=O)O;CS[CH]([CH](N)C(O)=O)C(O)=O;CSC(C(C(=O)O)N)C(=O)O","InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1","","2012-02-22","2024-09-27","(3S)-3-(methylsulfanyl)-L-aspartic acid","2012-11-09"],["I92","4-(2-bromophenyl)-2,4-dioxobutanoic acid","C10 H7 Br O4","O=C(c1ccccc1Br)CC(=O)C(=O)O;OC(=O)C(=O)CC(=O)c1ccccc1Br;c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br","InChI=1S/C10H7BrO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)","","2011-06-06","2012-11-02","4-(2-bromophenyl)-2,4-dioxobutanoic acid","2012-11-02"],["I93","4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid","C11 H8 Cl F O4","Fc1c(C(=O)CC(=O)C(=O)O)c(Cl)c(cc1)C;Cc1ccc(F)c(c1Cl)C(=O)CC(=O)C(O)=O;Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F","InChI=1S/C11H8ClFO4/c1-5-2-3-6(13)9(10(5)12)7(14)4-8(15)11(16)17/h2-3H,4H2,1H3,(H,16,17)","","2011-06-06","2012-11-02","4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid","2012-11-02"],["0TE","chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper","C13 H11 Cl Cu N4 S2","Cl[Cu]34SC(=NN4C(c1ncccc1)=C2N3C=CC=C2)SC;CSC1=NN2C(=C3C=CC=CN3[Cu]2(Cl)S1)c4ccccn4;CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4","InChI=1S/C13H12N4S2.ClH.Cu/c1-19-13(18)17-16-12(10-6-2-4-8-14-10)11-7-3-5-9-15-11;;/h2-9H,1H3,(H-,14,15,17,18);1H;/q-2;;+4/p-2","","2012-06-06","2012-07-27","chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper",""],["I94","~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide","C28 H23 F3 N6 O2","CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2;CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(C(=O)C=C2)CCc3ccc4c(c3)cc(cn4)c5cnn(c5)C","InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39)","","2022-06-17","2022-11-18","~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide","2022-11-23"],["0TF","N~6~-D-ornithyl-L-lysine","C11 H24 N4 O3","O=C(O)C(N)CCCCNC(=O)C(N)CCCN;NCCC[CH](N)C(=O)NCCCC[CH](N)C(O)=O;C(CCNC(=O)C(CCCN)N)CC(C(=O)O)N","InChI=1S/C11H24N4O3/c12-6-3-5-8(13)10(16)15-7-2-1-4-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1","","2012-06-06","2012-09-14","N~6~-D-ornithyl-L-lysine","2012-09-14"],["I96","N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE","C16 H18 N4 S2","n3c(SCc1sccc1)nc(Nc2ccccc2C(C)C)n3;CC(C)c1ccccc1Nc2[nH]nc(SCc3sccc3)n2;CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3","InChI=1S/C16H18N4S2/c1-11(2)13-7-3-4-8-14(13)17-15-18-16(20-19-15)22-10-12-6-5-9-21-12/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20)","","2007-01-12","2011-06-04","N-[2-(1-methylethyl)phenyl]-3-[(thiophen-2-ylmethyl)sulfanyl]-1H-1,2,4-triazol-5-amine",""],["0TH","N-(propylsulfonyl)-D-threonine","C7 H15 N O5 S","O=S(=O)(NC(C(=O)O)C(O)C)CCC;CCC[S](=O)(=O)N[CH]([CH](C)O)C(O)=O;CCCS(=O)(=O)NC(C(C)O)C(=O)O","InChI=1S/C7H15NO5S/c1-3-4-14(12,13)8-6(5(2)9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m0/s1","","2011-03-23","2012-01-13","N-(propylsulfonyl)-D-threonine",""],["I98","{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","C16 H14 Cl F N2 O4","O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(N)cc2F;Nc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(O)=O)c(F)c1;c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl","InChI=1S/C16H14ClFN2O4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8,19H2,(H,20,23)(H,21,22)","","2014-07-31","2015-07-17","{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","2015-07-22"],["0TI","(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one","C8 H6 F N O2","c2cc1NC(=O)C(O)c1cc2F;O[CH]1C(=O)Nc2ccc(F)cc12;c1cc2c(cc1F)C(C(=O)N2)O","InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1","","2016-03-16","2024-09-27","(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one","2016-05-25"],["0TJ","N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide","C15 H15 Br4 N3 O3","O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1;OC(=O)CCCCCNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12;c1nc2c(n1CC(=O)NCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br","InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25)","","2012-06-06","2024-09-27","N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide","2012-10-12"],["I99","(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid","C20 H17 N O7 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCCC(C1)C(=O)O;OC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3cc2O;c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCCC(C4)C(=O)O)O","InChI=1S/C20H17NO7S/c22-16-8-14-15(19(24)13-6-2-1-5-12(13)18(14)23)9-17(16)29(27,28)21-7-3-4-11(10-21)20(25)26/h1-2,5-6,8-9,11,22H,3-4,7,10H2,(H,25,26)/t11-/m1/s1","","2022-01-24","2022-03-11","(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid","2022-03-16"],["I9A","(1s,4s)-bicyclo[2.2.1]heptane","C7 H12","C1CC2CCC1C2;C1CC2CCC1C2;C1CC2CCC1C2","InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2/t6-,7+","","2023-05-04","2024-09-27","(1s,4s)-bicyclo[2.2.1]heptane","2024-03-13"],["0TK","(2R)-2,5-diaminopentanoyl dihydrogen phosphate","C5 H13 N2 O5 P","O=P(OC(=O)C(N)CCCN)(O)O;NCCC[CH](N)C(=O)O[P](O)(O)=O;C(CC(C(=O)OP(=O)(O)O)N)CN","InChI=1S/C5H13N2O5P/c6-3-1-2-4(7)5(8)12-13(9,10)11/h4H,1-3,6-7H2,(H2,9,10,11)/t4-/m1/s1","phosphorylated D-ornithine","2012-06-06","2021-03-01","(2R)-2,5-diaminopentanoyl dihydrogen phosphate","2012-09-14"],["I9C","methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate","C17 H13 N O7 S","O=C(OC)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O;COC(=O)CN[S](=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2cc1O;COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O","InChI=1S/C17H13NO7S/c1-25-15(20)8-18-26(23,24)14-7-12-11(6-13(14)19)16(21)9-4-2-3-5-10(9)17(12)22/h2-7,18-19H,8H2,1H3","","2022-01-24","2022-03-11","methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate","2022-03-16"],["0TL","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C11 H16 N5 O8 P","Nc1ncnc2n(cnc12)[C]3(CO)O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3(C(C(C(O3)COP(=O)(O)O)O)O)CO)N","InChI=1S/C11H16N5O8P/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-17)8(19)7(18)5(24-11)1-23-25(20,21)22/h3-5,7-8,17-19H,1-2H2,(H2,12,13,14)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1","","2021-06-14","2022-09-23","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-09-28"],["0TM","2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide","C19 H18 Cl N5 O3 S","Clc3cc(OC)c(OC)cc3c1nc(nc2c1c(C#N)cn2)SCC(=O)N(C)C;COc1cc(Cl)c(cc1OC)c2nc(SCC(=O)N(C)C)nc3[nH]cc(C#N)c23;CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC","InChI=1S/C19H18ClN5O3S/c1-25(2)15(26)9-29-19-23-17(16-10(7-21)8-22-18(16)24-19)11-5-13(27-3)14(28-4)6-12(11)20/h5-6,8H,9H2,1-4H3,(H,22,23,24)","","2012-06-07","2020-06-01","2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide","2012-10-19"],["I9F","dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate","C26 H26 N2 O11 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)OC)C(=O)OC;COC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3cc2O)C(=O)OC;COC(=O)CC(CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O","InChI=1S/C26H26N2O11S/c1-38-22(31)14-26(35,25(34)39-2)13-21(30)27-7-9-28(10-8-27)40(36,37)20-12-18-17(11-19(20)29)23(32)15-5-3-4-6-16(15)24(18)33/h3-6,11-12,29,35H,7-10,13-14H2,1-2H3/t26-/m1/s1","","2022-01-24","2022-03-11","dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate","2022-03-16"],["0TN","Delta-Ru(phen)2(dppz) complex","C42 H26 N8 Ru","n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru]%10%14(n5ccc6)(n8c7c9c(ccc7ccc8)cccn9%10)n%12cccc%11ccc%13c(c%11%12)n%14ccc%13;[Ru]|1|2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8ccc9cccn|2c9c78)|n%10cccc%11c%10c%12n|3cccc%12c%13nc%14ccccc%14nc%11%13;c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81","InChI=1S/C18H10N4.2C12H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10H;2*1-8H;","","2012-06-07","2013-03-15","(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]ruthenium","2013-03-20"],["I9G","8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3\n-c]isoquinoline","C26 H33 N7 O7 S","C7(O)C(O)C(N1CCN(CC1)c2c3c(nnn2)c4c(s3)nc(c5c4CCCC5)N6CCOCC6)OC(C7O)C(=O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(CC2)c3nnnc4c3sc5nc(N6CCOCC6)c7CCCCc7c45;C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)C6C(C(C(C(O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1","InChI=1S/C26H33N7O7S/c34-17-18(35)20(26(37)38)40-25(19(17)36)33-7-5-31(6-8-33)23-21-16(28-30-29-23)15-13-3-1-2-4-14(13)22(27-24(15)41-21)32-9-11-39-12-10-32/h17-20,25,34-36H,1-12H2,(H,37,38)/t17-,18-,19+,20-,25+/m0/s1","UNC10201652-glucuronic acid conjugate","2017-11-15","2021-11-05","8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline","2021-11-10"],["I9H","N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE","C22 H21 Cl F2 N6 O3","CCN([CH]1CN(N=C1c2ccc(Cl)cc2)C(Nc3cccc(OC(F)F)c3)=NC#N)C(=O)CO;CCN(C1CN(N=C1c2ccc(cc2)Cl)C(=NC#N)Nc3cccc(c3)OC(F)F)C(=O)CO","InChI=1S/C22H21ClF2N6O3/c1-2-30(19(33)12-32)18-11-31(29-20(18)14-6-8-15(23)9-7-14)22(27-13-26)28-16-4-3-5-17(10-16)34-21(24)25/h3-10,18,21,32H,2,11-12H2,1H3,(H,27,28)/t18-/m0/s1","","2015-09-24","2016-04-22","N-[(4S)-2-[(E)-N-[3-[bis(fluoranyl)methoxy]phenyl]-N'-cyano-carbamimidoyl]-5-(4-chlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-oxidanyl-ethanamide","2016-04-27"],["0TO","N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine","C16 H14 Cl N3 O2","Clc1cccc(c1)Nc3ncnc2c3cc(OC)c(OC)c2;COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC;COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl","InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)","","2012-06-08","2012-06-15","N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine",""],["I9K","(2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid","C24 H22 N2 O11 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)O)C(=O)O;OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3cc2O)C(O)=O;c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)CC(CC(=O)O)(C(=O)O)O)O","InChI=1S/C24H22N2O11S/c27-17-9-15-16(22(32)14-4-2-1-3-13(14)21(15)31)10-18(17)38(36,37)26-7-5-25(6-8-26)19(28)11-24(35,23(33)34)12-20(29)30/h1-4,9-10,27,35H,5-8,11-12H2,(H,29,30)(H,33,34)/t24-/m1/s1","","2022-01-24","2022-03-11","(2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid","2022-03-16"],["0TP","4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide","C19 H20 N4 O2 S","O=C(c2c1sc(cc1c(nc2)N)c4ccc(N3CCOCC3)cc4)NC;CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4;CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N","InChI=1S/C19H20N4O2S/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24)","","2011-09-09","2011-11-25","4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide",""],["I9L","6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C8 H4 Cl N3 S","Clc1ccc2n3cnnc3sc2c1;c1cc2c(cc1Cl)sc3n2cnn3","InChI=1S/C8H4ClN3S/c9-5-1-2-6-7(3-5)13-8-11-10-4-12(6)8/h1-4H","","2022-03-03","2023-01-20","6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["0TQ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H42 N4 O8 S","O=C2C(=C(NC)C)/c1cc(ccc1N2)S(=O)(=O)N(CC(C)C)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5;CNC(C)=C1C(=O)Nc2ccc(cc12)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)C(=C(C)NC)C(=O)N5","InChI=1S/C32H42N4O8S/c1-19(2)16-36(45(40,41)22-10-11-25-24(15-22)29(20(3)33-4)30(38)34-25)17-27(37)26(14-21-8-6-5-7-9-21)35-32(39)44-28-18-43-31-23(28)12-13-42-31/h5-11,15,19,23,26-28,31,33,37H,12-14,16-18H2,1-4H3,(H,34,38)(H,35,39)/b29-20-/t23-,26-,27+,28-,31+/m0/s1","","2012-06-08","2012-07-13","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate",""],["I9N","1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione","C18 H16 N2 O6 S","O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCNCC1;Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1[S](=O)(=O)N4CCNCC4;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4","InChI=1S/C18H16N2O6S/c21-15-10-3-1-2-4-11(10)16(22)14-12(15)9-13(17(23)18(14)24)27(25,26)20-7-5-19-6-8-20/h1-4,9,19,23-24H,5-8H2","","2022-01-24","2022-03-11","1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione","2022-03-16"],["0TR","2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE","C7 H6 O2","OC1=CC=CC=CC1=O;C1=CC=C(C(=O)C=C1)O","InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)","TROPOLONE","2011-02-17","2020-06-17","2-hydroxycyclohepta-2,4,6-trien-1-one",""],["I9O","5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine","C14 H14 F3 N3","FC(F)(F)c1cccc(CN2CCc3[nH]cnc3C2)c1;c1cc(cc(c1)C(F)(F)F)CN2CCc3c(nc[nH]3)C2","InChI=1S/C14H14F3N3/c15-14(16,17)11-3-1-2-10(6-11)7-20-5-4-12-13(8-20)19-9-18-12/h1-3,6,9H,4-5,7-8H2,(H,18,19)","","2022-03-03","2022-08-22","5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine","2022-05-25"],["0TS","beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyrano\nsyl-(1->4)-1-thio-beta-D-glucopyranose","C30 H52 O23 S3","S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO;OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)S[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](S)O[CH]5CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)SC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)S)CO)CO)CO)CO)O)O)O)O","InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+/m1/s1","hemithiocellodextrin","2012-06-08","2020-07-17","beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranose",""],["0TT","1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione","C20 H28 N4 O10","O=C1N(C=C(C(=O)N1)CC2(C(=O)NC(=O)N(C2)C3OC(C(O)C3)CO)C)C4OC(CO)C(O)C4;C[C]1(CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O)CC3=CN([CH]4C[CH](O)[CH](CO)O4)C(=O)NC3=O;CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)CC3=CN(C(=O)NC3=O)C4CC(C(O4)CO)O","InChI=1S/C20H28N4O10/c1-20(8-24(19(32)22-17(20)30)15-3-11(28)13(7-26)34-15)4-9-5-23(18(31)21-16(9)29)14-2-10(27)12(6-25)33-14/h5,10-15,25-28H,2-4,6-8H2,1H3,(H,21,29,31)(H,22,30,32)/t10-,11-,12+,13+,14+,15+,20+/m0/s1","","2012-06-10","2012-07-13","1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-({(5R)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,4-dioxohexahydropyrimidin-5-yl}methyl)pyrimidine-2,4(1H,3H)-dione (non-preferred name)",""],["I9P","(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid","C16 H14 N6 O5","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(O)cc3)C(O)=O;c1cc(ccc1CC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N)O","InChI=1S/C16H14N6O5/c17-16-21-12-11(14(25)22-16)18-6-10(19-12)13(24)20-9(15(26)27)5-7-1-3-8(23)4-2-7/h1-4,6,9,23H,5H2,(H,20,24)(H,26,27)(H3,17,19,21,22,25)/t9-/m1/s1","(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine","2022-06-17","2022-12-16","(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid","2022-12-21"],["I9Q","N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine","C17 H13 N O8 S","O=C(O)CCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O;OC(=O)CCN[S](=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O","InChI=1S/C17H13NO8S/c19-12(20)5-6-18-27(25,26)11-7-10-13(17(24)16(11)23)15(22)9-4-2-1-3-8(9)14(10)21/h1-4,7,18,23-24H,5-6H2,(H,19,20)","","2022-01-24","2022-03-11","N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine","2022-03-16"],["0TU","6-chloroquinolin-2(1H)-one","C9 H6 Cl N O","Clc2ccc1c(C=CC(=O)N1)c2;Clc1ccc2NC(=O)C=Cc2c1;c1cc2c(cc1Cl)C=CC(=O)N2","InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)","","2014-02-25","2015-02-06","6-chloroquinolin-2(1H)-one","2015-02-11"],["I9R","5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C10 H9 N3 O2 S","COc1ccc(OC)c2n3cnnc3sc12;COc1ccc(c2c1n3cnnc3s2)OC","InChI=1S/C10H9N3O2S/c1-14-6-3-4-7(15-2)9-8(6)13-5-11-12-10(13)16-9/h3-5H,1-2H3","","2022-03-03","2023-01-20","5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["0TX","(4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine","C18 H26 Cl N3","Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC;CCN(CC)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12;CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl","InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m0/s1","","2012-06-12","2013-03-08","(4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine","2013-03-13"],["I9U","2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide","C20 H20 F2 N4 O2","Cc1cc(C)n(n1)c2cc(F)c(CC(=O)Nc3noc4CCCCc34)c(F)c2;Cc1cc(n(n1)c2cc(c(c(c2)F)CC(=O)Nc3c4c(on3)CCCC4)F)C","InChI=1S/C20H20F2N4O2/c1-11-7-12(2)26(24-11)13-8-16(21)15(17(22)9-13)10-19(27)23-20-14-5-3-4-6-18(14)28-25-20/h7-9H,3-6,10H2,1-2H3,(H,23,25,27)","","2022-03-03","2023-03-17","2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide","2023-03-22"],["0TZ","3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine","C14 H13 N9","n2c1ccccn1c(c2Nc3ccnn3)c4nc(nc(n4)N)C;Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4;Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4","InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)","","2012-06-12","2012-07-13","3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine",""],["0U","L-URIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1","","2009-07-16","2011-06-04","1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["I9V","2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid","C14 H16 Cl N5 O4 S","CC(C)(N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O;CC(C)(C(=O)O)NS(=O)(=O)c1ccc2c(c1)c(ncc2Cl)NC(=N)N","InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19)","UK-371804","2022-06-20","2023-12-01","2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid","2023-12-06"],["0U0","3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine","C18 H15 N11","n2c1cccnn1c(c2Nc3nncc3)c5nc(nc(Nc4nccnc4)c5)C;Cc1nc(Nc2cnccn2)cc(n1)c3n4ncccc4nc3Nc5cc[nH]n5;Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5","InChI=1S/C18H15N11/c1-11-23-12(9-14(24-11)25-15-10-19-7-8-20-15)17-18(26-13-4-6-21-28-13)27-16-3-2-5-22-29(16)17/h2-10H,1H3,(H2,21,26,28)(H,20,23,24,25)","","2012-06-12","2013-04-05","3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine","2013-04-10"],["I9W","2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide","C21 H24 N6 O3","Cn1cc(cn1)c1nccc(Oc2ccc(NC(=O)NC(=O)C(C)(C)C)nc2C)c1;Cn1cc(cn1)c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3C)ccn2;Cc1c(ccc(n1)NC(=O)NC(=O)C(C)(C)C)Oc2ccnc(c2)c3cnn(c3)C","InChI=1S/C21H24N6O3/c1-13-17(6-7-18(24-13)25-20(29)26-19(28)21(2,3)4)30-15-8-9-22-16(10-15)14-11-23-27(5)12-14/h6-12H,1-5H3,(H2,24,25,26,28,29)","","2022-01-24","2022-08-19","2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide","2022-08-24"],["I9X","alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate","C5 H10 O10 P2","O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12;C(C1C(C2C(O1)OP(=O)(O2)O)O)OP(=O)(O)O","InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1","[(3aR,5R,6R,6aR)-2,6-bis(oxidanyl)-2-oxidanylidene-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate; 5-phospho-alpha-D-ribose cyclic-1,2-phosphate","2022-03-03","2022-08-22","[(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate","2022-05-25"],["0U1","2'-METHYLSELENYL-2'-DEOXY-L-URIDINE-5'-MONOPHOSPHATE","C10 H15 N2 O8 P Se","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C([Se]C)C2O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H15N2O8PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1","","2014-10-23","2015-04-24","1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione","2015-04-29"],["0U3","N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide","C27 H39 N O5","O=C(NO)COc1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC;CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(OCC(=O)NO)c(C)c2;CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO","InChI=1S/C27H39NO5/c1-8-27(9-2,21-11-13-23(19(4)15-21)33-17-25(30)28-31)20-10-12-22(18(3)14-20)32-16-24(29)26(5,6)7/h10-15,24,29,31H,8-9,16-17H2,1-7H3,(H,28,30)/t24-/m1/s1","","2012-06-13","2012-09-14","N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide","2012-09-14"],["I9Z","5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole","C22 H21 N3 O","Cn1cc(nc1CCc1nc(oc1C)c1ccccc1)c1ccccc1;Cn1cc(nc1CCc2nc(oc2C)c3ccccc3)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCc3nc(cn3C)c4ccccc4","InChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3","","2022-01-25","2022-10-07","5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole","2022-10-12"],["IA","2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C25 H24 I N6","Ic1cccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6;C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6cccc(I)c6;C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I","InChI=1S/C25H23IN6/c1-31-9-11-32(12-10-31)19-6-8-21-23(15-19)30-25(28-21)17-5-7-20-22(14-17)29-24(27-20)16-3-2-4-18(26)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,29)(H,28,30)/p+1","","1999-07-08","2011-06-04","4-[2'-(3-iodophenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium",""],["0U4","N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","C42 H53 N5 O5 S","O=S(=O)(N(c2cc(C(=O)NC(c1ccccc1)C)cc(c2)C(=O)NC(Cc3ccccc3)C(O)CNCCC5CCN(Cc4ccccc4)CC5)C)C;C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCCC3CCN(CC3)Cc4ccccc4)N(C)[S](C)(=O)=O)c5ccccc5;CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNCCC4CCN(CC4)Cc5ccccc5)O","InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1","","2012-06-13","2013-05-24","N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","2013-05-29"],["IA0","[(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-piperidin-1-yl]-(6-fluoranyl-1~{H}-benzotriazol-5-yl)methanone","C27 H29 F N8 O","C[CH]1C[CH](CCN1C(=O)c2cc3nn[nH]c3cc2F)N4Cc5cnc(Nc6cc(C)cc(C)c6)nc5C4;Cc1cc(cc(c1)Nc2ncc3c(n2)CN(C3)C4CCN(C(C4)C)C(=O)c5cc6c(cc5F)[nH]nn6)C","InChI=1S/C27H29FN8O/c1-15-6-16(2)8-19(7-15)30-27-29-12-18-13-35(14-25(18)31-27)20-4-5-36(17(3)9-20)26(37)21-10-23-24(11-22(21)28)33-34-32-23/h6-8,10-12,17,20H,4-5,9,13-14H2,1-3H3,(H,29,30,31)(H,32,33,34)/t17-,20+/m0/s1","","2022-03-03","2023-01-20","[(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-piperidin-1-yl]-(6-fluoranyl-1~{H}-benzotriazol-5-yl)methanone","2023-01-25"],["0U5","(2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","C31 H36 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2c(nc(nc2N)N)CCC)N4N=Cc3ccccc3C4C=C(/C)C;CCCc1nc(N)nc(N)c1Cc2cc(OC)c(OC)c(C=CC(=O)N3N=Cc4ccccc4[CH]3C=C(C)C)c2;CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)C=CC(=O)N3C(c4ccccc4C=N3)C=C(C)C","InChI=1S/C31H36N6O3/c1-6-9-25-24(30(32)36-31(33)35-25)16-20-15-21(29(40-5)27(17-20)39-4)12-13-28(38)37-26(14-19(2)3)23-11-8-7-10-22(23)18-34-37/h7-8,10-15,17-18,26H,6,9,16H2,1-5H3,(H4,32,33,35,36)/b13-12+/t26-/m0/s1","","2012-06-13","2013-01-04","(2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-01-04"],["0U6","(2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","C30 H34 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2c(nc(nc2N)N)CC)N4N=Cc3ccccc3C4C=C(/C)C;CCc1nc(N)nc(N)c1Cc2cc(OC)c(OC)c(C=CC(=O)N3N=Cc4ccccc4[CH]3C=C(C)C)c2;CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)C=CC(=O)N3C(c4ccccc4C=N3)C=C(C)C","InChI=1S/C30H34N6O3/c1-6-24-23(29(31)35-30(32)34-24)15-19-14-20(28(39-5)26(16-19)38-4)11-12-27(37)36-25(13-18(2)3)22-10-8-7-9-21(22)17-33-36/h7-14,16-17,25H,6,15H2,1-5H3,(H4,31,32,34,35)/b12-11+/t25-/m0/s1","","2012-06-13","2013-01-04","(2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-01-04"],["IA1","2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid","C32 H36 Cl N3 O5 S","COc1cc(c(OC)cc1Cl)c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(O)=O)sc2CCC5CCCCC5;Cc1cc(c2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(c(s3)CCC4CCCCC4)c5cc(c(cc5OC)Cl)OC)C","InChI=1S/C32H36ClN3O5S/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39)","","2022-06-20","2022-07-15","2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid","2022-07-20"],["IA2","2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL","C10 H4 Cl5 N O","Clc2c(c1cc(Cl)cc(Cl)c1O)nc(Cl)c2Cl;Oc1c(Cl)cc(Cl)cc1c2[nH]c(Cl)c(Cl)c2Cl;c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl","InChI=1S/C10H4Cl5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H","","2010-05-16","2011-06-10","2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol",""],["0U7","3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride","C14 H7 Cl2 F N2 O3 S","FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)cc(Cl)c2)c3;F[S](=O)(=O)c1cccc(c1)c2oc(nn2)c3cc(Cl)cc(Cl)c3;c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl","InChI=1S/C14H7Cl2FN2O3S/c15-10-4-9(5-11(16)7-10)14-19-18-13(22-14)8-2-1-3-12(6-8)23(17,20)21/h1-7H","","2012-06-15","2024-09-27","3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride","2013-02-15"],["IA3","methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate","C24 H25 Cl F N O4","COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(Cl)cc3;COC(=O)C(=CC(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)O","InChI=1S/C24H25ClFNO4/c1-31-23(30)21(28)14-22(29)24(15-17-6-8-19(25)9-7-17)10-12-27(13-11-24)16-18-4-2-3-5-20(18)26/h2-9,14,28H,10-13,15-16H2,1H3/b21-14-","","2021-06-01","2022-02-11","methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["0U8","(1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol","C12 H20 O10","O1CC3OC(OCC2OC1(CO)C(O)C2O)(CO)C(O)C3O;OC[C]12OC[CH]3O[C](CO)(OC[CH](O1)[CH](O)[CH]2O)[CH](O)[CH]3O;C1C2C(C(C(O2)(OCC3C(C(C(O1)(O3)CO)O)O)CO)O)O","InChI=1S/C12H20O10/c13-3-11-10(18)8(16)6(22-11)2-20-12(4-14)9(17)7(15)5(21-12)1-19-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1","","2012-06-15","2012-07-13","(1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol",""],["0U9","S-bicalutamide","C18 H14 F4 N2 O4 S","Fc1ccc(cc1)S(=O)(=O)CC(O)(C(=O)Nc2cc(c(C#N)cc2)C(F)(F)F)C;C[C](O)(C[S](=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F;CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O","InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1","(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide","2012-06-15","2021-03-01","(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide","2013-01-04"],["IA4","~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine","C20 H30 N2","CN(CCC1CCCCCC1)CCc2c[nH]c3ccccc23;CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3","InChI=1S/C20H30N2/c1-22(14-12-17-8-4-2-3-5-9-17)15-13-18-16-21-20-11-7-6-10-19(18)20/h6-7,10-11,16-17,21H,2-5,8-9,12-15H2,1H3","","2021-01-25","2022-02-25","~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine","2022-03-02"],["0UA","3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride","C14 H7 Cl2 F N2 O4 S","FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3;Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cccc(c3)[S](F)(=O)=O;c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl","InChI=1S/C14H7Cl2FN2O4S/c15-10-5-8(6-11(16)12(10)20)14-19-18-13(23-14)7-2-1-3-9(4-7)24(17,21)22/h1-6,20H","","2012-06-15","2024-09-27","3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride","2013-02-15"],["IA5","methyl (Z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate","C24 H25 Br Cl N O4","COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2cccc(Br)c2)Cc3ccc(Cl)cc3;COC(=O)C(=CC(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)O","InChI=1S/C24H25BrClNO4/c1-31-23(30)21(28)14-22(29)24(15-17-5-7-20(26)8-6-17)9-11-27(12-10-24)16-18-3-2-4-19(25)13-18/h2-8,13-14,28H,9-12,15-16H2,1H3/b21-14-","","2021-06-01","2022-02-11","methyl (~{Z})-4-[1-[(3-bromophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["IA7","5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile","C15 H15 N7 S","CC(C)(C)c1nc2nc(N)c(C#N)c(N)c2c(n1)c3sccn3;CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3","InChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)","","2015-03-20","2015-10-23","5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile","2015-10-28"],["0UB","beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose","C18 H32 O16","O3C(COC1(OC(C(O)C1O)COC2(OC(CO)C(O)C2O)CO)CO)C(O)C(O)C3(O)CO;OC[CH]1O[C](CO)(OC[CH]2O[C](CO)(OC[CH]3O[C](O)(CO)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)OCC3C(C(C(O3)(CO)O)O)O)O)O)O)O)O","InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1","Levantriose","2012-06-15","2020-07-17","beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose",""],["0UC","4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride","C14 H6 Br Cl2 F N2 O4 S","FS(=O)(=O)c3ccc(Br)c(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3;Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cc(ccc3Br)[S](F)(=O)=O;c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br","InChI=1S/C14H6BrCl2FN2O4S/c15-9-2-1-7(25(18,22)23)5-8(9)14-20-19-13(24-14)6-3-10(16)12(21)11(17)4-6/h1-5,21H","","2012-06-15","2024-09-27","4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride","2013-02-15"],["IA9","2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide","C19 H20 Cl F N4 O3","Fc1ccc(c(Cl)c1C)C(=O)Nc3c(N2CCN(C)CC2)ccc(N(=O)=O)c3;CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(F)c(C)c3Cl)[N](=O)=O;Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F","InChI=1S/C19H20ClFN4O3/c1-12-15(21)5-4-14(18(12)20)19(26)22-16-11-13(25(27)28)3-6-17(16)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,26)","","2012-12-13","2012-12-21","2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide","2012-12-21"],["0UD","N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea","C16 H26 N4 O","O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC;CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C;CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C","InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21)","","2021-06-15","2022-01-28","N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea","2022-02-02"],["IAA","({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID","C18 H13 N3 O4","O=C(O)CON=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O;OC(=O)CON=C1C2=CC=CCC2=NC1=C3C(=O)N=C4CC=CC=C34;C1C=CC=C2C1=NC(=C3C4=CC=CCC4=NC3=O)C2=NOCC(=O)O","InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+","2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE","2005-03-23","2021-03-01","({[(2Z,3E)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid",""],["0UE","Ferrioxamine B","C25 H45 Fe N6 O8","O=C2NCCCCCN5O[Fe]314(ON(C(=O1)CC2)CCCCCNC(=O)CCC(=O3)N(O4)CCCCCN)O=C5C;CC1=O|[Fe]2|345|O=C(CCC(=O)NCCCCC[N](O2)C(=O|3)CCC(=O)NCCCCC[N]1O4)N(CCCCCN)O5;CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN","InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+3","","2012-06-15","2013-06-07","[N-(5-aminopentyl)-N-(hydroxy-kappaO)-N'-{5-[(hydroxy-kappaO){4-[(5-{(hydroxy-kappaO)[1-(oxo-kappaO)ethyl]amino}pentyl)amino]-4-oxo-1-(oxo-kappaO)butyl}amino]pentyl}butanediamidato(3-)-kappaO~1~]iron","2013-06-12"],["IAB","ISO-ACARBOSE","C25 H43 N O18","O(CC1OC(O)C(O)C(O)C1O)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OC[CH]3O[CH](O)[CH](O)[CH](O)[CH]3O)O[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)O)O)O)O)CO)O)O)NC4C=C(C(C(C4O)O)O)CO","InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1","4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-ALPHA-D-LYXO-HEXOPYRANOSYL-(1->4)-ALPHA-D-T\nHREO-HEXOPYRANOSYL-(1->6)-ALPHA-L-THREO-HEXOPYRANOSE","2004-09-15","2020-07-17","4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-beta-D-glucopyranose",""],["0UF","3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid","C26 H33 N3 O6 S2","O=S(=O)(O)CCCN1c3ccccc3O/C1=CC=CC=C2C(=O)N(C(=S)N(C2=O)CCCC)CCCC;CCCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCC[S](O)(=O)=O)C(=O)N(CCCC)C1=S;CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC","InChI=1S/C26H33N3O6S2/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34)","","2012-06-15","2013-06-28","3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid","2013-07-03"],["IAC","1H-INDOL-3-YLACETIC ACID","C10 H9 N O2","O=C(O)Cc2c1ccccc1nc2;OC(=O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(=O)O","InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)","INDOLE ACETIC ACID","2007-02-23","2021-03-01","1H-indol-3-ylacetic acid",""],["IAD","N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID","C14 H14 N2 O5","O=C(O)CC(C(=O)O)NC(=O)Cc2c1ccccc1nc2;OC(=O)C[CH](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1","","2001-10-16","2011-06-04","N-(1H-indol-3-ylacetyl)-L-aspartic acid",""],["0UH","2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate)","C10 H14 N5 O7 P","P(OCC1OC(CC1O)N2C=3C(N=C2)=C(NC(=O)N=3)N)(O)(=O)O;NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=NC(=O)N1;C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O","InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2012-06-18","2016-11-16","2'-deoxy-2-oxo-2-hydroadenosine 5'-(dihydrogen phosphate)",""],["0UI","8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one","C11 H7 N O2 S","Oc1ccc2C(=O)Nc3sccc3c2c1;c1cc2c(cc1O)-c3ccsc3NC2=O","InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)","","2021-06-09","2021-12-03","8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one","2021-12-08"],["IAE","(2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid","C11 H12 F3 N O2","N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O;c1cc(ccc1CCC(C(=O)O)N)C(F)(F)F","InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1","","2022-06-23","2024-09-27","(2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid","2023-07-26"],["0UJ","N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide","C17 H21 N5 O2 S","O=S(=O)(NCc3nc2cnc1nccc1c2n3C5CC4CCC5C4)C;C[S](=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[CH]4C[CH]5CC[CH]4C5;CS(=O)(=O)NCc1nc2cnc3c(c2n1C4CC5CCC4C5)cc[nH]3","InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1","","2012-06-18","2012-11-02","N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide","2012-11-02"],["IAF","2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine","C11 H12 Br F N2","Cc1[nH]c2c(F)cc(Br)cc2c1CCN;Cc1c(c2cc(cc(c2[nH]1)F)Br)CCN","InChI=1S/C11H12BrFN2/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5,15H,2-3,14H2,1H3","","2022-03-03","2022-08-22","2-(5-bromanyl-7-fluoranyl-2-methyl-1~{H}-indol-3-yl)ethanamine","2022-05-25"],["0UK","3-[(1R,2R,3R,5R,6S,7R,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid","C45 H62 N4 O14","C[CH]1[CH]2NC(=CC3=NC(=C(C)C4=N[C](C)([CH]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](C)(CC(O)=O)[CH]4CCC(O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O)C(C)(C)[CH]2CCC(O)=O;CC1C2C(C(C(=CC3=NC(=C(C4=NC(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)(C(C4CCC(=O)O)(C)CC(=O)O)C)C)C(C3CCC(=O)O)(C)CC(=O)O)N2)(C)C)CCC(=O)O","InChI=1S/C45H62N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,21,23-26,36,40,47H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,39-22-/t21-,23-,24+,25-,26+,36-,40-,42-,43+,44+,45+/m1/s1","","2012-06-19","2012-10-12","3-[(1R,2R,3R,5R,6S,7R,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid","2012-10-12"],["IAG","N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID","C12 H12 N2 O3","O=C(O)CNC(=O)Cc2c1ccccc1nc2;OC(=O)CNC(=O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O","InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)","","2001-10-22","2011-06-04","N-(1H-indol-3-ylacetyl)glycine",""],["0UL","6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine","C11 H9 N5","n1c(cn2nc(nc2c1)N)c3ccccc3;Nc1nn2cc(ncc2n1)c3ccccc3;c1ccc(cc1)c2cn3c(cn2)nc(n3)N","InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)","","2012-06-19","2013-04-05","6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine","2013-04-10"],["IAH","3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1H-pyridin-2-one","C23 H25 N O4","C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)c4ccc(O)cc4;CC1C=CC2CCCCC2C1C(=O)C3=C(C(=CNC3=O)c4ccc(cc4)O)O","InChI=1S/C23H25NO4/c1-13-6-7-14-4-2-3-5-17(14)19(13)22(27)20-21(26)18(12-24-23(20)28)15-8-10-16(25)11-9-15/h6-14,17,19,25H,2-5H2,1H3,(H2,24,26,28)/t13-,14+,17-,19-/m1/s1","","2022-06-23","2023-06-09","3-[[(1~{R},2~{R},4~{a}~{S},8~{a}~{R})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1~{H}-pyridin-2-one","2023-06-14"],["IAI","1-methyl-N~4~-[(1,3-oxazol-4-yl)methyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C22 H18 N8 O3","O=C(NCc1cocn1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;Cn1ncc(C(=O)NCc2cocn2)c1C(=O)Nc3ccn4cc(nc4n3)c5ccccc5;Cn1c(c(cn1)C(=O)NCc2cocn2)C(=O)Nc3ccn4cc(nc4n3)c5ccccc5","InChI=1S/C22H18N8O3/c1-29-19(16(10-25-29)20(31)23-9-15-12-33-13-24-15)21(32)27-18-7-8-30-11-17(26-22(30)28-18)14-5-3-2-4-6-14/h2-8,10-13H,9H2,1H3,(H,23,31)(H,26,27,28,32)","","2022-01-25","2022-10-07","1-methyl-N~4~-[(1,3-oxazol-4-yl)methyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["0UM","(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid","C18 H29 N7 O5","O=C(O)C(N)CCC(NCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCN[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCNC(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1","","2012-06-20","2012-08-31","(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid (non-preferred name)","2012-08-31"],["IAJ","8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C9 H7 N3 O S","COc1cccc2sc3nncn3c12;COc1cccc2c1n3cnnc3s2","InChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3","","2022-03-03","2023-01-20","8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["0UN","N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide","C25 H27 Cl N6 O3","O=C(C=C)Nc4cccc(Oc1nc(ncc1Cl)Nc2ccc(cc2OC)N3CCN(C)CC3)c4;COc1cc(ccc1Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl","InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)","","2009-08-06","2024-09-27","N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide",""],["IAL","N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide","C21 H20 N6 O2","O=C(c1cnn(C)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1)N(C)C;CN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4;Cn1c(c(cn1)C(=O)N(C)C)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4","InChI=1S/C21H20N6O2/c1-26(2)21(29)15-12-22-27(3)18(15)20(28)23-14-9-10-16-17(11-14)25-19(24-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,28)(H,24,25)","","2022-01-25","2022-10-07","N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["2VU","N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide","C22 H16 N8 O","N#Cc1cccc(c1)Cn2ncc(c2)NC(=O)c5nnc4cc(c3cnnc3)ccc45;O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c3n[nH]c4cc(ccc34)c5c[nH]nc5;c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5","InChI=1S/C22H16N8O/c23-8-14-2-1-3-15(6-14)12-30-13-18(11-26-30)27-22(31)21-19-5-4-16(7-20(19)28-29-21)17-9-24-25-10-17/h1-7,9-11,13H,12H2,(H,24,25)(H,27,31)(H,28,29)","","2014-02-27","2014-05-30","N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide","2014-06-04"],["2VV","N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide","C25 H26 N8 O","O=C(Nc1cn(nc1)C(c2ccccc2)CCN(C)C)c5nnc4cc(c3cnnc3)ccc45;CN(C)CC[CH](n1cc(NC(=O)c2n[nH]c3cc(ccc23)c4c[nH]nc4)cn1)c5ccccc5;CN(C)CCC(c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5","InChI=1S/C25H26N8O/c1-32(2)11-10-23(17-6-4-3-5-7-17)33-16-20(15-28-33)29-25(34)24-21-9-8-18(12-22(21)30-31-24)19-13-26-27-14-19/h3-9,12-16,23H,10-11H2,1-2H3,(H,26,27)(H,29,34)(H,30,31)/t23-/m0/s1","","2014-02-27","2014-05-30","N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide","2014-06-04"],["IAM","4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE","C13 H20 N2 O2","O=C(O)C(N)Cc1ccc(cc1)CNC(C)C;CC(C)NCc1ccc(C[CH](N)C(O)=O)cc1;CC(C)NCc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1","","2004-11-19","2024-09-27","4-{[(1-methylethyl)amino]methyl}-L-phenylalanine",""],["IAN","methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate","C9 H13 O4 P","O=P(O)(OC)C(OC)c1ccccc1;CO[CH](c1ccccc1)[P](O)(=O)OC;COC(c1ccccc1)P(=O)(O)OC","InChI=1S/C9H13O4P/c1-12-9(14(10,11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,11)/t9-/m1/s1","","2011-03-29","2024-09-27","methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate",""],["2VW","N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide","C25 H26 N8 O","O=C(Nc1cn(nc1)C(c2ccccc2)CCN(C)C)c5nnc4cc(c3cnnc3)ccc45;CN(C)CC[CH](n1cc(NC(=O)c2n[nH]c3cc(ccc23)c4c[nH]nc4)cn1)c5ccccc5;CN(C)CCC(c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5","InChI=1S/C25H26N8O/c1-32(2)11-10-23(17-6-4-3-5-7-17)33-16-20(15-28-33)29-25(34)24-21-9-8-18(12-22(21)30-31-24)19-13-26-27-14-19/h3-9,12-16,23H,10-11H2,1-2H3,(H,26,27)(H,29,34)(H,30,31)/t23-/m1/s1","","2014-02-27","2014-05-30","N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide","2014-06-04"],["IAO","5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine","C10 H10 N4 O2 S","COc1ccc(OC)c2n3c(N)nnc3sc12;COc1ccc(c2c1n3c(nnc3s2)N)OC","InChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12)","","2022-03-03","2023-01-20","5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine","2023-01-25"],["2VX","N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide","C19 H20 F2 N4 O3 S","O=S(=O)(Nc1ccc(F)c(c1F)N(c2ccc3N=CN(C(=O)c3c2)C)C)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(N(C)c2ccc3N=CN(C)C(=O)c3c2)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F","InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3","","2014-02-28","2014-04-04","N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide","2014-04-09"],["2VY","4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde","C12 H13 N3 O S","O=Cc1scc(c1C)Cc2c(nc(nc2)C)N;Cc1ncc(Cc2csc(C=O)c2C)c(N)n1;Cc1c(csc1C=O)Cc2cnc(nc2N)C","InChI=1S/C12H13N3OS/c1-7-10(6-17-11(7)5-16)3-9-4-14-8(2)15-12(9)13/h4-6H,3H2,1-2H3,(H2,13,14,15)","","2014-02-28","2014-09-12","4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde","2014-09-17"],["IAP","4-IODO-ACETAMIDO PHENYLBORONIC ACID","C8 H9 B I N O3","ICC(=O)Nc1cc(B(O)O)ccc1;OB(O)c1cccc(NC(=O)CI)c1;B(c1cccc(c1)NC(=O)CI)(O)O","InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)","","2001-10-29","2024-09-27","{3-[(iodoacetyl)amino]phenyl}boronic acid",""],["IAQ","(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide","C24 H25 F N6 O","O=C(C=C/CN(C)C)N(c2c(F)cc1nc(c3cncn3c1c2)Nc4ccccc4C)C;CN(C)CC=CC(=O)N(C)c1cc2n3cncc3c(Nc4ccccc4C)nc2cc1F;Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)C=CCN(C)C","InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7-","","2011-08-09","2024-09-27","(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide",""],["2VZ","(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","C21 H24 O2","O=C(O)C=C(C=CC=C(/C=C2/c1ccc(cc1CCC2)C)C)C;CC(C=CC=C(C)C=C1CCCc2cc(C)ccc12)=CC(O)=O;Cc1ccc2c(c1)CCCC2=CC(=CC=CC(=CC(=O)O)C)C","InChI=1S/C21H24O2/c1-15(6-4-7-16(2)14-21(22)23)12-18-8-5-9-19-13-17(3)10-11-20(18)19/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,22,23)/b7-4+,15-6-,16-14+,18-12+","","2014-02-28","2014-06-13","(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","2014-06-18"],["IAR","(2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid","C6 H12 N4 O2","O=C(O)C(=[N@H])CCCNC(=[N@H])N;NC(=N)NCCCC(=N)C(O)=O;C(CC(=N)C(=O)O)CNC(=N)N","InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+","","2010-07-20","2024-09-27","(2E)-5-carbamimidamido-2-iminopentanoic acid",""],["2W0","(2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","C21 H24 O2","O=C(O)C=C(C=CC=C(/C=C2/c1cccc(c1CCC2)C)C)C;CC(C=CC=C(C)C=C1CCCc2c(C)cccc12)=CC(O)=O;Cc1cccc2c1CCCC2=CC(=CC=CC(=CC(=O)O)C)C","InChI=1S/C21H24O2/c1-15(7-4-8-16(2)14-21(22)23)13-18-10-6-11-19-17(3)9-5-12-20(18)19/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,22,23)/b8-4+,15-7-,16-14+,18-13+","","2014-02-28","2014-06-13","(2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","2014-06-18"],["IAS","BETA-L-ASPARTIC ACID","C4 H7 N O4","O=C(O)CC(N)C(=O)O;N[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)O","InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1","L-aspartic acid","1999-07-08","2024-09-27","L-aspartic acid",""],["2W1","1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone","C24 H21 N3 O3","O=C(c2nc1ccccc1n2)c5ccc(Oc3ncccc3C4CCOCC4)cc5;O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4ncccc4C5CCOCC5)cc3;c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5","InChI=1S/C24H21N3O3/c28-22(23-26-20-5-1-2-6-21(20)27-23)17-7-9-18(10-8-17)30-24-19(4-3-13-25-24)16-11-14-29-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,26,27)","","2014-05-09","2014-09-05","1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone","2014-08-06"],["2W2","N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid","C11 H20 N4 O6","O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N;NC(=N)NCCC[CH](N[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CNC(=N)N","InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1","Nopaline","2014-02-28","2021-03-01","N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid","2014-10-22"],["IAT","[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C26 H21 N3 O6 S","Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(cc4)n5cncn5)c6ccc(O)cc6;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)n5cncn5)c6ccc(cc6)O)O","InChI=1S/C26H21N3O6S/c30-19-7-1-16(2-8-19)24-22-13-23(26(34-22)25(24)17-3-9-20(31)10-4-17)36(32,33)35-21-11-5-18(6-12-21)29-15-27-14-28-29/h1-12,14-15,22-23,26,30-31H,13H2/t22-,23+,26+/m0/s1","","2022-06-24","2023-04-21","[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2023-04-26"],["IAU","1-[5-[[3-(trifluoromethyloxy)phenyl]methoxy]pyrimidin-2-yl]pyrazole-4-carboxylic acid","C16 H11 F3 N4 O4","OC(=O)c1cnn(c1)c2ncc(OCc3cccc(OC(F)(F)F)c3)cn2;c1cc(cc(c1)OC(F)(F)F)COc2cnc(nc2)n3cc(cn3)C(=O)O","InChI=1S/C16H11F3N4O4/c17-16(18,19)27-12-3-1-2-10(4-12)9-26-13-6-20-15(21-7-13)23-8-11(5-22-23)14(24)25/h1-8H,9H2,(H,24,25)","","2023-07-31","2024-07-26","1-[5-[[3-(trifluoromethyloxy)phenyl]methoxy]pyrimidin-2-yl]pyrazole-4-carboxylic acid","2024-07-31"],["2W3","2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide","C25 H26 Cl2 N6 O4","CCc1cc(nc(n1)[CH]2CCCC[CH]2C(=O)NCc3ccc(Cl)c(Cl)c3)C4=NC(=C(C(N)=O)C(=O)N4)O;CCc1cc(nc(n1)C2CCCCC2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O","InChI=1S/C25H26Cl2N6O4/c1-2-13-10-18(22-32-24(36)19(20(28)34)25(37)33-22)31-21(30-13)14-5-3-4-6-15(14)23(35)29-11-12-7-8-16(26)17(27)9-12/h7-10,14-15H,2-6,11H2,1H3,(H2,28,34)(H,29,35)(H2,32,33,36,37)/t14-,15-/m0/s1","","2014-03-03","2014-03-07","2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide","2014-03-12"],["2W4","4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one","C25 H24 N4 O3","O=C(N1CCC(C1)CC2=NNC(=O)N2c5ccc(c4cc3c(occ3)cc4)cc5)C6CC6;O=C1NN=C(C[CH]2CCN(C2)C(=O)C3CC3)N1c4ccc(cc4)c5ccc6occc6c5;c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)CC5CCN(C5)C(=O)C6CC6","InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1","","2014-05-09","2014-09-05","4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one","2014-07-23"],["IAV","N-[1H-INDOL-3-YL-ACETYL]VALINE ACID","C15 H18 N2 O3","O=C(O)C(NC(=O)Cc2c1ccccc1nc2)C(C)C;CC(C)[CH](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O;CC(C)C(C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2","InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1","","2001-10-22","2011-06-04","N-(1H-indol-3-ylacetyl)-L-valine",""],["IAW","6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","C9 H7 N3 O S","COc1ccc2n3cnnc3sc2c1;COc1ccc2c(c1)sc3n2cnn3","InChI=1S/C9H7N3OS/c1-13-6-2-3-7-8(4-6)14-9-11-10-5-12(7)9/h2-5H,1H3","","2022-03-04","2023-01-20","6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole","2023-01-25"],["2W5","(1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide","C20 H23 Cl2 N3 O3","Clc1ccc(cc1Cl)CNC(=O)C3CCCCC3c2nc(OC)cc(OC)n2;COc1cc(OC)nc(n1)[CH]2CCCC[CH]2C(=O)NCc3ccc(Cl)c(Cl)c3;COc1cc(nc(n1)C2CCCCC2C(=O)NCc3ccc(c(c3)Cl)Cl)OC","InChI=1S/C20H23Cl2N3O3/c1-27-17-10-18(28-2)25-19(24-17)13-5-3-4-6-14(13)20(26)23-11-12-7-8-15(21)16(22)9-12/h7-10,13-14H,3-6,11H2,1-2H3,(H,23,26)/t13-,14-/m1/s1","","2014-03-04","2014-03-07","(1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide","2014-03-12"],["IAY","4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine","C21 H22 N4 O","Cn1cc(nc1/C=C/c1nc(ccc1)N1CCOCC1)c1ccccc1;Cn1cc(nc1C=Cc2cccc(n2)N3CCOCC3)c4ccccc4;Cn1cc(nc1C=Cc2cccc(n2)N3CCOCC3)c4ccccc4","InChI=1S/C21H22N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3/b11-10+","","2022-01-25","2025-07-25","4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine","2022-10-12"],["2W6","N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide","C24 H32 N6 O","O=C(c1nnc2c1CCC(C2)(C)C)Nc3cn(nc3)C(c4ccccc4)CCN(C)C;CN(C)CC[CH](n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1)c4ccccc4;CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)C(CCN(C)C)c4ccccc4)C1)C","InChI=1S/C24H32N6O/c1-24(2)12-10-19-20(14-24)27-28-22(19)23(31)26-18-15-25-30(16-18)21(11-13-29(3)4)17-8-6-5-7-9-17/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,31)(H,27,28)/t21-/m0/s1","","2014-03-06","2014-06-27","N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide","2014-07-02"],["IAZ","~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine","C18 H15 N3 O2","C(Nc1[nH]c2cc(Oc3ccccc3)ccc2n1)c4occc4;c1ccc(cc1)Oc2ccc3c(c2)[nH]c(n3)NCc4ccco4","InChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21)","","2022-03-04","2022-08-26","~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine","2022-08-31"],["2W7","N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide","C19 H24 N2 O2 S","O=C(c1ccccc1S)NCC(=O)NC24CC3CC(CC(C2)C3)C4;Sc1ccccc1C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3;c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S","InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19-","","2014-03-06","2024-09-27","N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide","2014-11-19"],["IB","2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C26 H26 I N6 O","Ic1c(OC)ccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6;COc1ccc(cc1I)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CC[NH+](C)CC6;C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC","InChI=1S/C26H25IN6O/c1-32-9-11-33(12-10-32)18-5-7-21-23(15-18)31-26(29-21)17-3-6-20-22(14-17)30-25(28-20)16-4-8-24(34-2)19(27)13-16/h3-8,13-15H,9-12H2,1-2H3,(H,28,30)(H,29,31)/p+1","","1999-07-08","2011-06-04","4-[2'-(3-iodo-4-methoxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium",""],["2W8","3-(3'-nitrobiphenyl-3-yl)propanoic acid","C15 H13 N O4","O=[N+]([O-])c2cc(c1cccc(c1)CCC(=O)O)ccc2;OC(=O)CCc1cccc(c1)c2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O","InChI=1S/C15H13NO4/c17-15(18)8-7-11-3-1-4-12(9-11)13-5-2-6-14(10-13)16(19)20/h1-6,9-10H,7-8H2,(H,17,18)","","2014-03-07","2015-04-03","3-(3'-nitrobiphenyl-3-yl)propanoic acid","2015-04-08"],["IB0","(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone","C12 H12 N4 O","Cc1cccc2CCN(C(=O)n3ccnn3)c12;Cc1cccc2c1N(CC2)C(=O)n3ccnn3","InChI=1S/C12H12N4O/c1-9-3-2-4-10-5-7-15(11(9)10)12(17)16-8-6-13-14-16/h2-4,6,8H,5,7H2,1H3","","2022-06-24","2024-11-29","(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone","2024-12-04"],["2W9","3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid","C13 H11 N O5","O=[N+]([O-])c2oc(c1cc(ccc1)CCC(=O)O)cc2;OC(=O)CCc1cccc(c1)c2oc(cc2)[N+]([O-])=O;c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O","InChI=1S/C13H11NO5/c15-13(16)7-4-9-2-1-3-10(8-9)11-5-6-12(19-11)14(17)18/h1-3,5-6,8H,4,7H2,(H,15,16)","","2014-03-10","2015-04-03","3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid","2015-04-08"],["2WA","(1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol","C35 H70 O5","OC(OC(COC(O)CCCCCCCCCCCCCC)CO)CCCCCC/C=C/CCCCCCCC;CCCCCCCCCCCCCC[CH](O)OC[CH](CO)O[CH](O)CCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCC(O)OCC(CO)OC(CCCCCCC=CCCCCCCCC)O","InChI=1S/C35H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,33-38H,3-16,19-32H2,1-2H3/b18-17+/t33-,34-,35-/m0/s1","","2014-01-29","2014-05-09","(1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol","2014-05-14"],["IB1","4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile","C19 H12 F2 N4 O2","c1cnc(nc1C(=O)c2c(F)cc(cc2F)OC)Nc3ccc(cc3)C#N;COc1cc(F)c(c(F)c1)C(=O)c2ccnc(Nc3ccc(cc3)C#N)n2;COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F","InChI=1S/C19H12F2N4O2/c1-27-13-8-14(20)17(15(21)9-13)18(26)16-6-7-23-19(25-16)24-12-4-2-11(10-22)3-5-12/h2-9H,1H3,(H,23,24,25)","","2016-05-18","2016-06-24","4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile","2016-06-29"],["IB2","P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE","C21 H29 N10 O14 P3 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N","InChI=1S/C21H29N10O14P3S/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(43-20)1-41-46(36,37)7-47(38,39)45-48(40,49)42-2-9-13(33)15(35)21(44-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,49)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-,48-/m1/s1","ADO-P-CH2-P-PS-ADO","1999-07-08","2021-03-01","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphinic acid",""],["2WB","{2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid","C18 H13 N O5","[O-][N+](=O)c3cccc(c2oc(c1c(cccc1)CC(=O)O)cc2)c3;OC(=O)Cc1ccccc1c2oc(cc2)c3cccc(c3)[N+]([O-])=O;c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]","InChI=1S/C18H13NO5/c20-18(21)11-12-4-1-2-7-15(12)17-9-8-16(24-17)13-5-3-6-14(10-13)19(22)23/h1-10H,11H2,(H,20,21)","","2014-03-10","2015-04-03","{2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid","2015-04-08"],["2WC","3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid","C20 H23 N5 O3","O=C(O)c4cccc(c3nc2nc(nc(OCC1CCCCC1)c2n3)N)c4C;Cc1c(cccc1c2[nH]c3c(OCC4CCCCC4)nc(N)nc3n2)C(O)=O;Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N","InChI=1S/C20H23N5O3/c1-11-13(8-5-9-14(11)19(26)27)16-22-15-17(23-16)24-20(21)25-18(15)28-10-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,26,27)(H3,21,22,23,24,25)","","2013-11-19","2014-12-05","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzoic acid","2014-12-10"],["IB3","[(1S)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid","C12 H18 N O5 P","O=P(O)(O)C(c1ccc(cc1)C)CCC(=O)N(O)C;CN(O)C(=O)CC[CH](c1ccc(C)cc1)[P](O)(O)=O;Cc1ccc(cc1)C(CCC(=O)N(C)O)P(=O)(O)O","InChI=1S/C12H18NO5P/c1-9-3-5-10(6-4-9)11(19(16,17)18)7-8-12(14)13(2)15/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)/t11-/m0/s1","","2012-10-04","2014-11-21","[(1S)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid","2014-11-26"],["2WD","(1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol","C14 H30 O5","OC(OC(COC(O)CCCCC)CO)CCCC;CCCCC[CH](O)OC[CH](CO)O[CH](O)CCCC;CCCCCC(O)OCC(CO)OC(CCCC)O","InChI=1S/C14H30O5/c1-3-5-7-9-13(16)18-11-12(10-15)19-14(17)8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13+,14+/m0/s1","","2014-01-29","2014-05-09","(1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol","2014-05-14"],["IB4","6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H26 N8 O3","COCCn1ncc(NC(=O)c2nc(ccc2Nc2cncnc2)C2CC2)c1C(=O)N(C)C;COCCn1ncc(NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c1C(=O)N(C)C;CN(C)C(=O)c1c(cnn1CCOC)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C22H26N8O3/c1-29(2)22(32)20-18(12-25-30(20)8-9-33-3)28-21(31)19-17(26-15-10-23-13-24-11-15)7-6-16(27-19)14-4-5-14/h6-7,10-14,26H,4-5,8-9H2,1-3H3,(H,28,31)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["2WE","2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide","C14 H14 N4 O3 S","COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2;COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N","InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)","","2014-03-11","2020-02-13","2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide","2015-04-08"],["IB5","~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide","C18 H24 N4 O3 S","CC(C)(C)c1[nH]nc(NC(=O)c2ccc(cc2)[S](=O)(=O)N3CCCC3)c1;CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3","InChI=1S/C18H24N4O3S/c1-18(2,3)15-12-16(21-20-15)19-17(23)13-6-8-14(9-7-13)26(24,25)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,23)","","2022-03-08","2022-08-22","~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide","2022-04-06"],["2WF","N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide","C18 H15 N3 O","O=C(Nc1nccc(c1)c3cc2cnccc2cc3)C4CC4;O=C(Nc1cc(ccn1)c2ccc3ccncc3c2)C4CC4;c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4","InChI=1S/C18H15N3O/c22-18(13-2-3-13)21-17-10-15(6-8-20-17)14-4-1-12-5-7-19-11-16(12)9-14/h1,4-11,13H,2-3H2,(H,20,21,22)","","2014-03-11","2015-04-03","N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide","2015-04-08"],["IB7","6-cyclopropyl-N-(3-{[(2S)-2,3-dihydroxypropyl](methyl)carbamoyl}-1-methyl-1H-pyrazol-4-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H26 N8 O4","O=C(c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)N(C)CC(O)CO;CN(C[CH](O)CO)C(=O)c1nn(C)cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;Cn1cc(c(n1)C(=O)N(C)CC(CO)O)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C22H26N8O4/c1-29(9-15(32)11-31)22(34)20-18(10-30(2)28-20)27-21(33)19-17(25-14-7-23-12-24-8-14)6-5-16(26-19)13-3-4-13/h5-8,10,12-13,15,25,31-32H,3-4,9,11H2,1-2H3,(H,27,33)/t15-/m0/s1","","2022-01-25","2022-10-07","6-cyclopropyl-N-(3-{[(2S)-2,3-dihydroxypropyl](methyl)carbamoyl}-1-methyl-1H-pyrazol-4-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["2WG","2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide","C15 H15 N5 O3","O=C(Nc1nccc(c1)c2nc(OC)c(cn2)C(=O)N)C3CC3;COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2;COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N","InChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22)","","2014-03-11","2015-04-03","2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide","2015-04-08"],["IB8","(7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid","C29 H37 N3 O3","[O-]C(=O)c5ccc1c(n3c(c1C2CCCCC2)c4ccccc4OCC(N(CCN(C)C)C)C3)c5;CN(C)CCN(C)[CH]1COc2ccccc2c3n(C1)c4cc(ccc4c3C5CCCCC5)C(O)=O;CN(C)CCN(C)C1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O","InChI=1S/C29H37N3O3/c1-30(2)15-16-31(3)22-18-32-25-17-21(29(33)34)13-14-23(25)27(20-9-5-4-6-10-20)28(32)24-11-7-8-12-26(24)35-19-22/h7-8,11-14,17,20,22H,4-6,9-10,15-16,18-19H2,1-3H3,(H,33,34)/t22-/m1/s1","","2010-11-06","2011-06-04","(7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid",""],["IB9","Beta-tyrosine","C9 H11 N O3","N[CH](CC(O)=O)c1ccc(O)cc1;c1cc(ccc1C(CC(=O)O)N)O","InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1","(3S)-3-azanyl-3-(4-hydroxyphenyl)propanoic acid; Betatyrosine","2022-03-08","2024-09-27","(3~{S})-3-azanyl-3-(4-hydroxyphenyl)propanoic acid","2023-01-18"],["2WH","1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea","C22 H24 N6 O2 S","O=C(NCCc1ncn(c1)CCC)Nc2nc3ccc(cc3s2)c4cc(OC)cnc4;CCCn1cnc(CCNC(=O)Nc2sc3cc(ccc3n2)c4cncc(OC)c4)c1;CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC","InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)","","2014-03-11","2014-05-09","1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea","2014-05-14"],["2WI","6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide","C19 H19 F N4 O","CN(C)C(=O)c1c(N)ccc(c2cnc3N=CC4(CC4)c3c2C)c1F;CN(C)C(=O)c1c(N)ccc(c1F)c2cnc3N=CC4(CC4)c3c2C;Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N","InChI=1S/C19H19FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8-9H,6-7,21H2,1-3H3","","2021-06-30","2021-12-31","6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide","2022-01-05"],["IBA","4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID","C18 H27 N3 O4","O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CN)CO)NC(CC)CC;CCC(CC)Nc1cc(ccc1N2C(=O)CC[C]2(CN)CO)C(O)=O;CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CN)CO)C(=O)O","InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1","1-(4-CARBOXY-2-(3-PENTYLAMINO)PHENYL)-5-AMINOMETHYL-5-HYDROXYMETHYL-PYRROLIDIN-2-ONE","2003-07-31","2020-06-17","4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid",""],["2WJ","N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide","C14 H11 N3 O S","O=C(Nc1nc2ccc(cc2s1)c3cccnc3)C;CC(=O)Nc1sc2cc(ccc2n1)c3cccnc3;CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3","InChI=1S/C14H11N3OS/c1-9(18)16-14-17-12-5-4-10(7-13(12)19-14)11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17,18)","","2014-03-11","2014-05-09","N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide","2014-05-14"],["IBB","5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE","C23 H20 N6 O","Oc1ccc(cc1)c3nc2ccc(cc2n3)c4nc5c(n4)cc(cc5)C6NCCN6;Oc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6;c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O","InChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29)","","1999-07-08","2011-06-04","4-(6-imidazolidin-2-yl-1H,3'H-2,5'-bibenzimidazol-2'-yl)phenol",""],["IBC","3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE","C11 H14 N2 O4","O=C(O)C(N)CC2=CCCCc1onc(O)c12;N[CH](CC1=CCCCc2onc(O)c12)C(O)=O;C1CC=C(c2c(onc2O)C1)CC(C(=O)O)N","InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1","2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID","2004-12-16","2020-06-17","3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine",""],["2WK","N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide","C16 H15 N3 O3 S","O=C(Nc1nc2ccc(cc2s1)c3cc(OC)c(OC)nc3)C;COc1cc(cnc1OC)c2ccc3nc(NC(C)=O)sc3c2;CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC","InChI=1S/C16H15N3O3S/c1-9(20)18-16-19-12-5-4-10(7-14(12)23-16)11-6-13(21-2)15(22-3)17-8-11/h4-8H,1-3H3,(H,18,19,20)","","2014-03-11","2014-05-09","N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide","2014-05-14"],["2WL","(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone","C21 H21 Cl N4 O","O=C(c1ncn(c1)Cc2ccccc2)N4CCN(c3ccccc3Cl)CC4;Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3;c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl","InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2","","2014-03-12","2014-06-27","(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone","2014-07-02"],["IBD","2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide","C21 H25 Cl2 N5 O2 S","Clc3c(OCCN(CC)CC)cc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(Cl)c3;CCNC(=O)c1sc2nc(N)nc(c3cc(OCCN(CC)CC)c(Cl)cc3Cl)c2c1;CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC","InChI=1S/C21H25Cl2N5O2S/c1-4-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28(5-2)6-3/h9-11H,4-8H2,1-3H3,(H,25,29)(H2,24,26,27)","","2010-08-31","2011-06-04","2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide",""],["IBF","1,2,3,4,5-pentafluoro-6-iodobenzene","C6 F5 I","Fc1c(F)c(F)c(F)c(I)c1F;Fc1c(F)c(F)c(I)c(F)c1F;c1(c(c(c(c(c1F)F)I)F)F)F","InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9","","2008-07-11","2011-06-04","1,2,3,4,5-pentafluoro-6-iodobenzene",""],["2WM","(1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol","C39 H78 O5","OC(OC(COC(O)CCCCCC/C=C/CCCCCCCCC)CO)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO)CO[CH](O)CCCCCCC=CCCCCCCCCC;CCCCCCCCCCCCCCCCCC(O)OC(CO)COC(CCCCCCC=CCCCCCCCCC)O","InChI=1S/C39H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,37-42H,3-18,20,22-36H2,1-2H3/b21-19+/t37-,38-,39-/m0/s1","","2014-01-29","2014-05-09","(1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol","2014-05-14"],["IBG","GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE","C17 H22 I N3 O6 S","Ic1ccccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSCc1ccccc1I)C(=O)NCC(O)=O)C(O)=O;c1ccc(c(c1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)I","InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1","","2002-08-06","2011-06-04","L-gamma-glutamyl-S-(2-iodobenzyl)-L-cysteinylglycine",""],["2WN","4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate","C14 H7 Cl2 F N2 O5 S","FS(=O)(=O)Oc3ccc(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)cc3;Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3ccc(O[S](F)(=O)=O)cc3;c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F","InChI=1S/C14H7Cl2FN2O5S/c15-10-5-8(6-11(16)12(10)20)14-19-18-13(23-14)7-1-3-9(4-2-7)24-25(17,21)22/h1-6,20H","","2014-03-12","2015-07-10","4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate","2015-07-15"],["IBH","(NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide","C16 H14 F2 N4 O2 S2","O=C(N=C1/SC(=NN1)C(O)(c2nc(cs2)C)C)Cc3c(F)cccc3F;Cc1csc(n1)[C](C)(O)C2=NNC(S2)=NC(=O)Cc3c(F)cccc3F;Cc1csc(n1)C(C)(C2=NNC(=NC(=O)Cc3c(cccc3F)F)S2)O","InChI=1S/C16H14F2N4O2S2/c1-8-7-25-13(19-8)16(2,24)14-21-22-15(26-14)20-12(23)6-9-10(17)4-3-5-11(9)18/h3-5,7,24H,6H2,1-2H3,(H,20,22,23)/t16-/m0/s1","","2013-05-31","2014-05-09","2-(2,6-difluorophenyl)-N-[(2Z)-5-[(1R)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide","2013-12-11"],["2WP","S-ribosylhomocysteine","C9 H17 N O6 S","O=C(O)C(N)CCSCC1OC(O)C(O)C1O;N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O)=O;C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N","InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1","(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid","2014-03-13","2020-07-17","(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred\nname)","2014-03-26"],["2WQ","[5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid","C12 H10 F N O4","O=C(O)COc1cc(F)ccc1C(=O)NCC#C;OC(=O)COc1cc(F)ccc1C(=O)NCC#C;C#CCNC(=O)c1ccc(cc1OCC(=O)O)F","InChI=1S/C12H10FNO4/c1-2-5-14-12(17)9-4-3-8(13)6-10(9)18-7-11(15)16/h1,3-4,6H,5,7H2,(H,14,17)(H,15,16)","","2014-03-19","2015-04-03","[5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid","2015-04-08"],["IBI","N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide","C34 H50 N8 O3","O=C6N(c1c(nc(nc1)Nc2ccc(cc2OC)C(=O)NC5CCC(N3CCN(CC3)CC4CC4)CC5)N(C(C)C)C6CC)C;CC[CH]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[CH]4CC[CH](CC4)N5CCN(CC5)CC6CC6)ncc2N(C)C1=O;CCC1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C","InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1","Volasertib","2008-11-25","2021-03-01","N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide",""],["2WR","(2-carbamoyl-5-fluorophenoxy)acetic acid","C9 H8 F N O4","O=C(O)COc1cc(F)ccc1C(=O)N;NC(=O)c1ccc(F)cc1OCC(O)=O;c1cc(c(cc1F)OCC(=O)O)C(=O)N","InChI=1S/C9H8FNO4/c10-5-1-2-6(9(11)14)7(3-5)15-4-8(12)13/h1-3H,4H2,(H2,11,14)(H,12,13)","","2014-03-19","2015-04-03","(2-carbamoyl-5-fluorophenoxy)acetic acid","2015-04-08"],["IBJ","6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C23 H22 N8 O2","OCCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ccccn1;OCCn1nc(cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c5ccccn5;c1ccnc(c1)c2cc(n(n2)CCO)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C23H22N8O2/c32-10-9-31-21(11-20(30-31)18-3-1-2-8-26-18)29-23(33)22-19(27-16-12-24-14-25-13-16)7-6-17(28-22)15-4-5-15/h1-3,6-8,11-15,27,32H,4-5,9-10H2,(H,29,33)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["2WS","beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose","C15 H26 O13","O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O;O[CH]1CO[CH](O[CH]2CO[CH](O[CH]3CO[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)O)O)O)O","InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1","","2014-03-19","2020-07-17","beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose","2014-05-07"],["IBK","N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide","C14 H18 N2 O3 S","O=C(NCC(C)C)COCc2noc(c1sccc1)c2;CC(C)CNC(=O)COCc1cc(on1)c2sccc2;CC(C)CNC(=O)COCc1cc(on1)c2cccs2","InChI=1S/C14H18N2O3S/c1-10(2)7-15-14(17)9-18-8-11-6-12(19-16-11)13-4-3-5-20-13/h3-6,10H,7-9H2,1-2H3,(H,15,17)","","2012-08-31","2014-09-05","N-(2-methylpropyl)-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide","2012-09-21"],["2WT","2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid","C28 H24 I N3 O7","O=C(O)c1cc2c(I)c(n(c2cc1O)C)c3cc(ccc3)NC(=O)CCC(=O)NCc4ccc5OCOc5c4;Cn1c2cc(O)c(cc2c(I)c1c3cccc(NC(=O)CCC(=O)NCc4ccc5OCOc5c4)c3)C(O)=O;Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O","InChI=1S/C28H24IN3O7/c1-32-20-12-21(33)19(28(36)37)11-18(20)26(29)27(32)16-3-2-4-17(10-16)31-25(35)8-7-24(34)30-13-15-5-6-22-23(9-15)39-14-38-22/h2-6,9-12,33H,7-8,13-14H2,1H3,(H,30,34)(H,31,35)(H,36,37)","","2014-03-21","2015-04-10","2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid","2015-04-15"],["IBL","Azo-Combretastatin A4 (cis)","C16 H18 N2 O5","COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2;COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC","InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3","2-methoxy-5-[(Z)-(3,4,5-trimethoxyphenyl)diazenyl]phenol","2022-03-08","2023-09-20","2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]phenol","2023-02-22"],["2WU","6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C10 H10 N6 O","O=C2c3cc1nc(NC)nc1cc3N=C(N)N2;CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1;CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N","InChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17)","","2014-03-21","2014-07-11","6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2014-07-16"],["IBM","3-ISOBUTYL-1-METHYLXANTHINE","C10 H14 N4 O2","O=C2c1ncnc1N(C(=O)N2C)CC(C)C;CC(C)CN1C(=O)N(C)C(=O)c2nc[nH]c12;CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C","InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)","","2003-11-24","2011-06-04","1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione",""],["2WV","(3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol","C30 H54 O3","C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O;CC(CCC(CCO)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CC(C)(C)O)C)C","InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23+,24+,25-,26+,27+,29+,30-/m1/s1","CAR-S","2021-06-23","2021-08-27","(3~{S},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol","2021-09-01"],["IBN","2-METHYLPROPAN-1-AMINE","C4 H11 N","NCC(C)C;CC(C)CN;CC(C)CN","InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3","ISOBUTYRONITRILE","2007-06-26","2020-06-17","2-methylpropan-1-amine",""],["IBO","2-METHYLPROPANAMIDE","C4 H9 N O","O=C(N)C(C)C;CC(C)C(N)=O;CC(C)C(=O)N","InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","","2007-02-22","2011-06-04","2-methylpropanamide",""],["2WW","[(1S)-1-amino-3-methylbutyl]phosphonic acid","C5 H14 N O3 P","O=P(O)(O)C(N)CC(C)C;CC(C)C[CH](N)[P](O)(O)=O;CC(C)CC(N)P(=O)(O)O","InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m0/s1","","2014-03-21","2014-06-20","[(1S)-1-amino-3-methylbutyl]phosphonic acid","2014-06-25"],["IBP","IBUPROFEN","C13 H18 O2","O=C(O)C(c1ccc(cc1)CC(C)C)C;CC(C)Cc1ccc(cc1)[CH](C)C(O)=O;CC(C)Cc1ccc(cc1)C(C)C(=O)O","InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1","2-(4-ISOBUTYLPHENYL)PROPIONIC ACID","2000-04-10","2020-06-17","(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid",""],["2WX","N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide","C24 H20 Cl N O4 S2","Clc1ccccc1C(c3sc2ccccc2c3)NS(=O)(=O)c5cc4OCCCOc4cc5;Clc1ccccc1[CH](N[S](=O)(=O)c2ccc3OCCCOc3c2)c4sc5ccccc5c4;c1ccc2c(c1)cc(s2)C(c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5","InChI=1S/C24H20ClNO4S2/c25-19-8-3-2-7-18(19)24(23-14-16-6-1-4-9-22(16)31-23)26-32(27,28)17-10-11-20-21(15-17)30-13-5-12-29-20/h1-4,6-11,14-15,24,26H,5,12-13H2/t24-/m1/s1","","2014-03-24","2015-05-08","N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide","2015-05-13"],["IBQ","IODO-BEDAQUILINE","C32 H31 I N2 O2","Ic1ccc2nc(OC)c(cc2c1)C(c3ccccc3)C(O)(c5c4ccccc4ccc5)CCN(C)C;COc1nc2ccc(I)cc2cc1[CH](c3ccccc3)[C](O)(CCN(C)C)c4cccc5ccccc45;CN(C)CCC(c1cccc2c1cccc2)(C(c3ccccc3)c4cc5cc(ccc5nc4OC)I)O","InChI=1S/C32H31IN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1","","2014-09-26","2016-01-15","(1R,2S)-4-(dimethylamino)-1-(6-iodo-2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol","2016-01-20"],["2WY","N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide","C24 H21 N O5 S","O=S(=O)(c2cc1OCCCOc1cc2)NC(c4oc3ccccc3c4)c5ccccc5;O=[S](=O)(N[CH](c1oc2ccccc2c1)c3ccccc3)c4ccc5OCCCOc5c4;c1ccc(cc1)C(c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5","InChI=1S/C24H21NO5S/c26-31(27,19-11-12-21-22(16-19)29-14-6-13-28-21)25-24(17-7-2-1-3-8-17)23-15-18-9-4-5-10-20(18)30-23/h1-5,7-12,15-16,24-25H,6,13-14H2/t24-/m1/s1","","2014-03-24","2015-05-08","N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide","2015-05-13"],["2WZ","N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide","C25 H24 Cl F N4 O3 S2","Fc1c(ncc(Cl)c1C(c3sc2c(cccc2c3)c4nccc(c4)C(O)(C)C)NS(=O)(=O)C5CC5)N;CC(C)(O)c1ccnc(c1)c2cccc3cc(sc23)[CH](N[S](=O)(=O)C4CC4)c5c(F)c(N)ncc5Cl;CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)C(c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O","InChI=1S/C25H24ClFN4O3S2/c1-25(2,32)14-8-9-29-18(11-14)16-5-3-4-13-10-19(35-23(13)16)22(31-36(33,34)15-6-7-15)20-17(26)12-30-24(28)21(20)27/h3-5,8-12,15,22,31-32H,6-7H2,1-2H3,(H2,28,30)/t22-/m0/s1","","2014-03-24","2015-05-08","N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide","2015-05-13"],["IBR","(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE","C11 H12 Br N O3","BrCCOC(=O)Cc1c(cc(N)cc1)C=O;Nc1ccc(CC(=O)OCCBr)c(C=O)c1;c1cc(c(cc1N)C=O)CC(=O)OCCBr","InChI=1S/C11H12BrNO3/c12-3-4-16-11(15)6-8-1-2-10(13)5-9(8)7-14/h1-2,5,7H,3-4,6,13H2","","1999-07-08","2024-09-27","2-bromoethyl (4-amino-2-formylphenyl)acetate",""],["IBS","L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE","C9 H19 O17 P3","O=P(OC1C(O)C(O)C(OP(=O)(O)OCC(=O)CO)C(O)C1OP(=O)(O)O)(O)O;OCC(=O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O;C(C(=O)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O","InChI=1S/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5+,6+,7?,8-,9-/m1/s1","","2001-03-12","2011-06-04","(1R,2R,3S,4R,5S,6S)-3,4,6-trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}cyclohexane-1,2-diyl bis[dihydrogen (phosphate)]",""],["2X0","[(1R)-1-amino-3-phenylpropyl]phosphonic acid","C9 H14 N O3 P","O=P(O)(O)C(N)CCc1ccccc1;N[CH](CCc1ccccc1)[P](O)(O)=O;c1ccc(cc1)CCC(N)P(=O)(O)O","InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1","","2014-03-26","2014-06-20","[(1R)-1-amino-3-phenylpropyl]phosphonic acid","2014-06-25"],["IBU","2-methylpropyl hydrogen carbonate","C5 H10 O3","O=C(O)OCC(C)C;CC(C)COC(O)=O;CC(C)COC(=O)O","InChI=1S/C5H10O3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7)","","2008-03-14","2024-09-27","2-methylpropyl hydrogen carbonate",""],["2X1","4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide","C15 H17 N5 O","O=C(Nc1cc(ccc1)CN)Nc2ccc(C(=[N@H])N)cc2;NCc1cccc(NC(=O)Nc2ccc(cc2)C(N)=N)c1;c1cc(cc(c1)NC(=O)Nc2ccc(cc2)C(=N)N)CN","InChI=1S/C15H17N5O/c16-9-10-2-1-3-13(8-10)20-15(21)19-12-6-4-11(5-7-12)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21)","","2014-03-28","2014-06-06","4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide","2014-06-11"],["IBV","6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C20 H22 N8 O2","O=C(c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)N(C)C;CN(C)C(=O)c1nn(C)cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;Cn1cc(c(n1)C(=O)N(C)C)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C20H22N8O2/c1-27(2)20(30)18-16(10-28(3)26-18)25-19(29)17-15(23-13-8-21-11-22-9-13)7-6-14(24-17)12-4-5-12/h6-12,23H,4-5H2,1-3H3,(H,25,29)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["2X3","(8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate","C10 H16 N5 O14 P3","NC1=NC2=C(N[CH]3N2[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C]3(O)[CH]4O)C(=O)N1;C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H16N5O14P3/c11-9-13-5-3(6(17)14-9)12-8-10(18)2(27-7(4(10)16)15(5)8)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4,7-8,12,16,18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t2-,4+,7-,8+,10-/m1/s1","","2014-04-01","2015-04-24","","2015-04-29"],["2X4","(4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine","C19 H18 Cl N3 O3","Clc1cc(cnc1)c5cc3c(OC4COCCC4C32N=C(OC2)N)cc5;NC1=N[C]2(CO1)[CH]3CCOC[CH]3Oc4ccc(cc24)c5cncc(Cl)c5;c1cc2c(cc1c3cc(cnc3)Cl)C4(COC(=N4)N)C5CCOCC5O2","InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1","","2014-04-01","2014-05-09","(4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine","2014-05-14"],["IBW","1-[(5R,8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C41 H62 N10 O5","NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)[CH](CC3CCCCC3)NC(=O)[CH](CCCCNC(=O)[CH](Cc4cccc(CN)c4)NC1=O)NC(N)=N)c2;c1cc2cc(c1)CNC(=O)C(NC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)CCCCN)Cc3cccc(c3)CN)NC(=N)N)CC4CCCCC4","InChI=1S/C41H62N10O5/c42-18-6-4-16-32-39(55)50-35(23-28-12-8-14-30(20-28)25-43)37(53)46-19-7-5-17-33(51-41(44)45)40(56)49-34(22-27-10-2-1-3-11-27)38(54)47-26-31-15-9-13-29(21-31)24-36(52)48-32/h8-9,12-15,20-21,27,32-35H,1-7,10-11,16-19,22-26,42-43H2,(H,46,53)(H,47,54)(H,48,52)(H,49,56)(H,50,55)(H4,44,45,51)/t32-,33+,34+,35-/m0/s1","","2022-03-08","2023-03-17","1-[(5~{R},8~{R},15~{S},18~{S})-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-03-22"],["2X5","(4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine","C19 H18 Cl N3 O3","Clc1cc(cnc1)c5cc3c(OC4COCCC4C32N=C(OC2)N)cc5;NC1=N[C]2(CO1)[CH]3CCOC[CH]3Oc4ccc(cc24)c5cncc(Cl)c5;c1cc2c(cc1c3cc(cnc3)Cl)C4(COC(=N4)N)C5CCOCC5O2","InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/s1","","2014-04-01","2014-05-09","(4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine","2014-05-14"],["IBY","2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline","C21 H19 N3","Cn1cc(nc1CCc1ccc2ccccc2n1)c1ccccc1;Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4;Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4","InChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3","","2022-01-25","2022-10-07","2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline","2022-10-12"],["2X6","7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one","C21 H23 N7 O","O=C1c2c(N=CN1)cc(nc2Nc4cccc3ccnc34)NC5CCCCC5N;N[CH]1CCCC[CH]1Nc2cc3N=CNC(=O)c3c(Nc4cccc5cc[nH]c45)n2;c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)N=CNC4=O","InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1","","2014-04-02","2014-04-18","7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one","2014-04-23"],["IBZ","2-IODOBENZYLTHIO GROUP","C7 H7 I S","Ic1ccccc1CS;SCc1ccccc1I;c1ccc(c(c1)CS)I","InChI=1S/C7H7IS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2","","1999-07-08","2011-06-04","(2-iodophenyl)methanethiol",""],["2X7","(3E)-3-iminooxepin-2(3H)-one","C6 H5 N O2","O=C1OC=CC=CC1=[N@H];N=C1C=CC=COC1=O;C1=CC(=N)C(=O)OC=C1","InChI=1S/C6H5NO2/c7-5-3-1-2-4-9-6(5)8/h1-4,7H/b7-5+","(4Z,6Z)-3-iminooxepin-2(3H)-one","2012-05-23","2020-06-17","(3E)-3-iminooxepin-2(3H)-one","2013-01-11"],["IC","ISOCYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC1=NC(=O)C=CN1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=NC1=O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2000-11-07","2011-06-04","2-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-4(1H)-one",""],["2X9","{2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid","C17 H13 F3 N2 O2 S","O=C(O)Cc1cc(c(nc1C)C)Cc2nc3c(F)c(F)cc(F)c3s2;Cc1nc(C)c(Cc2sc3c(F)cc(F)c(F)c3n2)cc1CC(O)=O;Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F","InChI=1S/C17H13F3N2O2S/c1-7-9(3-10(5-14(23)24)8(2)21-7)4-13-22-16-15(20)11(18)6-12(19)17(16)25-13/h3,6H,4-5H2,1-2H3,(H,23,24)","","2012-08-14","2013-07-26","{2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid","2013-07-31"],["IC0","Fmoc-(S)-2-(4-pentenyl)-glycine","C7 H13 N O2","N[CH](CCCC=C)C(O)=O;C=CCCCC(C(=O)O)N","InChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-/m0/s1","(2S)-2-azanylhept-6-enoic acid","2022-03-08","2024-09-27","(2~{S})-2-azanylhept-6-enoic acid","2022-05-18"],["2XA","(2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID","C22 H20 Cl N O2 S","Clc1ccc(cc1)C(SCC(C(=O)O)N)(c2ccccc2)c3ccccc3;N[CH](CSC(c1ccccc1)(c2ccccc2)c3ccc(Cl)cc3)C(O)=O;c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SCC(C(=O)O)N","InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1","","2010-03-31","2011-06-04","(2R)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid",""],["IC1","3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE","C18 H17 N O4","O=C2C(c1ccccc1N2)=Cc3c(OC)cc(OC)cc3OC;COc1cc(OC)c(C=C2C(=O)Nc3ccccc23)c(OC)c1;COc1cc(c(c(c1)OC)C=C2c3ccccc3NC2=O)OC","InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+","IC261","2000-02-25","2020-06-17","(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["2XB","N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid","C19 H19 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)Cc3c2c(nc(nc2O)N)nc3)CCC(=O)O;Nc1nc(O)c2c(Cc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)c[nH]c2n1;c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H19N5O6/c20-19-23-15-14(17(28)24-19)11(8-21-15)7-9-1-3-10(4-2-9)16(27)22-12(18(29)30)5-6-13(25)26/h1-4,8,12H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t12-/m0/s1","","2014-08-15","2014-10-10","N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid","2014-10-15"],["IC2","5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione","C20 H17 F3 N4 O2 S","CC1(C)N(Cc2c[nH]c3ncccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4;CC1(C(=O)N(C(=O)N1Cc2c[nH]c3c2cccn3)c4ccc(cc4)SC(F)(F)F)C","InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-5-7-14(8-6-13)30-20(21,22)23)18(29)26(19)11-12-10-25-16-15(12)4-3-9-24-16/h3-10H,11H2,1-2H3,(H,24,25)","","2023-07-28","2023-09-15","5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione","2023-09-20"],["IC3","(1P)-5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile","C11 H6 F3 N5 O2","FC(F)(F)c1cc(c(cc1)n1ncc(C#N)c1N)[N+]([O-])=O;Nc1n(ncc1C#N)c2ccc(cc2[N+]([O-])=O)C(F)(F)F;c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])n2c(c(cn2)C#N)N","InChI=1S/C11H6F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2","","2008-12-12","2026-04-05","(1P)-5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile",""],["2XC","(2E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one","C20 H21 N O2","O=C(C=CN2CCCC(c1ccccc1)C2)c3ccccc3O;Oc1ccccc1C(=O)C=CN2CCC[CH](C2)c3ccccc3;c1ccc(cc1)C2CCCN(C2)C=CC(=O)c3ccccc3O","InChI=1S/C20H21NO2/c22-19-11-5-4-10-18(19)20(23)12-14-21-13-6-9-17(15-21)16-7-2-1-3-8-16/h1-5,7-8,10-12,14,17,22H,6,9,13,15H2/b14-12+/t17-/m0/s1","","2014-04-03","2014-05-02","(2E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one","2014-05-07"],["IC4","13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine","C11 H13 Cu N3 O2 S","COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C;CN(C)C1=N[N+]2=Cc3cccc(c3O[Cu-]2S1)OC","InChI=1S/C11H15N3O2S.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15;/h4-7,15H,1-3H3,(H,13,17);/q;+2/p-2/b12-7+;","","2022-06-25","2023-06-30","","2023-07-05"],["2XD","(2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one","C15 H15 N3 O2","O=C(c1ccccc1O)C=CN3CCc2cnnc2C3;Oc1ccccc1C(=O)C=CN2CCc3c[nH]nc3C2;c1ccc(c(c1)C(=O)C=CN2CCc3c[nH]nc3C2)O","InChI=1S/C15H15N3O2/c19-14-4-2-1-3-12(14)15(20)6-8-18-7-5-11-9-16-17-13(11)10-18/h1-4,6,8-9,19H,5,7,10H2,(H,16,17)/b8-6+","","2014-04-03","2014-05-02","(2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one","2014-05-07"],["IC5","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","C11 H18 N5 O11 P2","Cn1c[n+]([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;Cn1c[n+](c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1","","2022-03-09","2022-08-22","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2022-05-11"],["2XE","4-bromobenzenethiol","C6 H5 Br S","Brc1ccc(S)cc1;Sc1ccc(Br)cc1;c1cc(ccc1S)Br","InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H","","2014-04-04","2014-09-05","4-bromobenzenethiol","2014-09-10"],["2XF","tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate","C21 H29 Cl2 N3 O3","Clc1cccc(c1Cl)CN(C(=O)C2CNCC(NC(=O)OC(C)(C)C)C2)C3CC3;CC(C)(C)OC(=O)N[CH]1CNC[CH](C1)C(=O)N(Cc2cccc(Cl)c2Cl)C3CC3;CC(C)(C)OC(=O)NC1CC(CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3","InChI=1S/C21H29Cl2N3O3/c1-21(2,3)29-20(28)25-15-9-14(10-24-11-15)19(27)26(16-7-8-16)12-13-5-4-6-17(22)18(13)23/h4-6,14-16,24H,7-12H2,1-3H3,(H,25,28)/t14-,15+/m1/s1","","2014-04-04","2014-10-03","tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate","2014-10-08"],["IC6","(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid","C18 H23 N3 O3","OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCn2ccnc2;c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCCn2ccnc2","InChI=1S/C18H23N3O3/c22-17(9-5-2-6-11-21-12-10-19-14-21)20-16(18(23)24)13-15-7-3-1-4-8-15/h1,3-4,7-8,10,12,14,16H,2,5-6,9,11,13H2,(H,20,22)(H,23,24)/t16-/m0/s1","","2021-04-01","2021-08-13","(2~{S})-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid","2021-08-18"],["2XG","3,4-difluorobenzenethiol","C6 H4 F2 S","Fc1ccc(S)cc1F;Fc1ccc(S)cc1F;c1cc(c(cc1S)F)F","InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H","","2014-04-04","2024-09-27","3,4-difluorobenzenethiol","2014-09-10"],["IC7","[4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-sulfonate","C27 H20 F3 N3 O5 S","Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(cc4)C(F)(F)F)c5ccc(cc5)n6cncn6;c1cc(ccc1C2=C(C3CC(C2O3)S(=O)(=O)Oc4ccc(cc4)C(F)(F)F)c5ccc(cc5)O)n6cncn6","InChI=1S/C27H20F3N3O5S/c28-27(29,30)18-5-11-21(12-6-18)38-39(35,36)23-13-22-24(16-3-9-20(34)10-4-16)25(26(23)37-22)17-1-7-19(8-2-17)33-15-31-14-32-33/h1-12,14-15,22-23,26,34H,13H2/t22-,23+,26+/m0/s1","","2022-06-27","2023-04-21","[4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2023-04-26"],["IC8","2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE","C22 H19 N7 O","O=C2N(c1ccccc1C)C(=Nc3cccc(c23)C)Cn4c5ncnc(c5nc4)N;Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4cnc5c(N)ncnc45;Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N","InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)","","2010-01-22","2011-06-04","2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one",""],["2XH","naphthalene-1-thiol","C10 H8 S","Sc2cccc1ccccc12;Sc1cccc2ccccc12;c1ccc2c(c1)cccc2S","InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H","","2014-04-07","2024-09-27","naphthalene-1-thiol","2014-09-10"],["IC9","N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine","C10 H15 N O2 S","O=S(=O)(Cc1ccc(cc1)C)CNC;CNC[S](=O)(=O)Cc1ccc(C)cc1;Cc1ccc(cc1)CS(=O)(=O)CNC","InChI=1S/C10H15NO2S/c1-9-3-5-10(6-4-9)7-14(12,13)8-11-2/h3-6,11H,7-8H2,1-2H3","","2013-04-10","2013-08-02","N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine","2013-08-07"],["2XI","(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide","C24 H33 N3 O3","C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C;CC(C(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C)O","InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1","","2021-07-09","2024-09-27","(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide","2021-07-21"],["2XJ","1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol","C22 H29 N5 O3 S2","n1c(c(sc1c2cc(OCC(O)(C)C)c(OC)cc2)CCC)CSc3nc(nc(N)c3)N;CCCc1sc(nc1CSc2cc(N)nc(N)n2)c3ccc(OC)c(OCC(C)(C)O)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N","InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-19-10-18(23)26-21(24)27-19)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)","1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol","2014-04-08","2021-03-13","1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol","2014-11-05"],["ICA","ISOCITRATE CALCIUM COMPLEX","C6 H7 Ca O7","OC(=O)C[CH]([CH](O[Ca])C(O)=O)C(O)=O;C(C(C(C(=O)O)O[Ca])C(=O)O)C(=O)O","InChI=1S/C6H7O7.Ca.H/c7-3(8)1-2(5(10)11)4(9)6(12)13;;/h2,4H,1H2,(H,7,8)(H,10,11)(H,12,13);;/q-1;+1;/t2-,4+;;/m0../s1","","1999-07-08","2023-09-23","[(2~{R},3~{S})-3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]oxycalcium",""],["ICB","1H-indole-2-carboxylic acid","C9 H7 N O2","O=C(O)c2cc1ccccc1n2;OC(=O)c1[nH]c2ccccc2c1;c1ccc2c(c1)cc([nH]2)C(=O)O","InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)","","2014-05-21","2016-03-11","1H-indole-2-carboxylic acid","2016-03-16"],["2XK","4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile","C17 H14 N2 O5","N#Cc1ccc(cc1)C(=O)Cc2c(cc(OC)c(OC)c2)[N+]([O-])=O;COc1cc(CC(=O)c2ccc(cc2)C#N)c(cc1OC)[N+]([O-])=O;COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N","InChI=1S/C17H14N2O5/c1-23-16-8-13(14(19(21)22)9-17(16)24-2)7-15(20)12-5-3-11(10-18)4-6-12/h3-6,8-9H,7H2,1-2H3","","2014-05-12","2014-09-05","4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile","2014-07-02"],["2XL","5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol","C18 H21 N5 O2 S2","n1c(c(sc1c2cc(O)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(O)c3;CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N","InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)","5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol","2014-04-08","2021-03-13","5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol","2014-11-05"],["ICC","azepan-2-one","C6 H11 N O","O=C1NCCCCC1;O=C1CCCCCN1;C1CCC(=O)NCC1","InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)","","2008-07-29","2011-06-04","azepan-2-one",""],["ICD","4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","C14 H13 N3 O5 S","O=C(C2=C(O)c1c(cccc1)S(=O)(=O)N2C)Nc3noc(c3)C;CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3cc(C)on3;Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O","InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)","Isoxicam","2013-08-09","2020-06-17","4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","2014-01-22"],["2XM","2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)","C21 H27 N5 O4 S2","OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OCCO)c(OCCO)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N","InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)","2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol","2014-04-08","2020-06-17","2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol","2014-11-05"],["ICE","iron-sulfur-molybdenum cluster with interstitial carbon","C Fe7 Mo S8","S1|2[Fe]|3S4|[Fe]15S[Fe]67S8|[Fe]9S%10|[Mo]8S6|[Fe]%10%11S[Fe]4%12S|3[Fe]|2[C]579%11%12;C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81","InChI=1S/C.7Fe.Mo.8S","","2014-06-10","2014-09-26","","2014-10-01"],["2XN","N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide","C20 H26 N6 O4 S3","O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C;COc1ccc(cc1OCCN[S](C)(=O)=O)c2sc(C)c(n2)[CH](C)Sc3nc(N)cc(N)n3;Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)C(C)Sc3nc(cc(n3)N)N","InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1","","2014-04-08","2020-05-30","N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide","2014-11-05"],["2XO","1H-benzimidazol-2-ylmethanethiol","C8 H8 N2 S","n2c1ccccc1nc2CS;SCc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)CS","InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)","","2014-04-08","2024-09-27","1H-benzimidazol-2-ylmethanethiol","2014-09-10"],["ICF","1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER","C3 H2 Cl F5 O","(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane;FC(F)O[CH](Cl)C(F)(F)F;C(C(F)(F)F)(OC(F)F)Cl","InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1","ISOFLURANE","2004-11-19","2020-06-17","(1S)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether",""],["2XP","(2Z,4Z)-2-imino-6-oxohex-4-enoic acid","C6 H7 N O3","O=C(O)C(=[N@H])C/C=CC=O;OC(=O)C(=N)CC=CC=O;C(C=CC=O)C(=N)C(=O)O","InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-2,4,7H,3H2,(H,9,10)/b2-1-,7-5-","","2012-05-23","2013-01-11","(2Z,4Z)-2-imino-6-oxohex-4-enoic acid","2013-01-11"],["ICG","iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated","C Fe7 Mo S8 Se","S1[Fe]S[Fe]23S[Fe]4S[Fe]5[Se][Fe](S2)[C]3456[Fe]1S[Fe]67S[Mo]S7;C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12","InChI=1S/C.7Fe.Mo.8S.Se","","2015-06-06","2015-12-24","","2015-12-29"],["2XQ","3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine","C25 H23 F3 N2 O3","Fc4ccc(OCc3oc2cccc(OCCCNCc1cccnc1)c2c3C)c(F)c4F;Cc1c(COc2ccc(F)c(F)c2F)oc3cccc(OCCCNCc4cccnc4)c13;Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F","InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3","","2013-10-09","2014-09-12","3-({3-methyl-2-[(2,3,4-trifluorophenoxy)methyl]-1-benzofuran-4-yl}oxy)-N-(pyridin-3-ylmethyl)propan-1-amine","2014-09-17"],["ICH","iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated","C Fe7 Mo S6 Se3","S1[Fe]S[Fe]23S[Fe]4[Se][Fe]5S[Fe]67S[Mo]S[Fe]([Se]2)[C]3456[Fe]1[Se]7;C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9","InChI=1S/C.7Fe.Mo.6S.3Se","","2015-08-07","2015-12-24","","2015-12-29"],["2XR","2-chloro-1-(1H-indol-3-yl)ethanone","C10 H8 Cl N O","ClCC(=O)c2c1ccccc1nc2;ClCC(=O)c1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C(=O)CCl","InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2","","2014-04-08","2024-09-27","2-chloro-1-(1H-indol-3-yl)ethanone","2014-09-10"],["ICI","ISOCITRIC ACID","C6 H8 O7","O=C(O)C(CC(=O)O)C(O)C(=O)O;O[CH]([CH](CC(O)=O)C(O)=O)C(O)=O;C(C(C(C(=O)O)O)C(=O)O)C(=O)O","InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1/f/h7,10,12H","","1999-08-04","2008-10-14","3-carboxy-2,3-dideoxy-L-threo-pentaric acid",""],["ICJ","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli\ndene}ethylidene]-4-methylidenecyclohexane-1,3-diol","C31 H52 O3","OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)C(CCCC)CC(O)C(C)C)CCC12)CC(O)C3;CCCC[CH](C[CH](O)C(C)C)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CCCCC(CC(C(C)C)O)C(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29-,30+,31-/m1/s1","22S-butyl-1a,24R-dihydroxyvitamin D3","2010-03-17","2020-06-17","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3S,5R)-3-butyl-5-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["2XS","4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide","C25 H19 N3 O3","O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O;O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[CH]5[CH]6C[CH](C=C6)[CH]5C4=O;c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)C5C6CC(C5C4=O)C=C6","InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20+,21-","","2014-04-08","2015-01-02","4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide","2015-01-07"],["ICK","2-chloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","C18 H12 Cl N5 O","Clc1nccc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;Clc1cc(ccn1)C(=O)Nc2ccn3nc(nc3c2)c4ccccc4;c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4ccnc(c4)Cl","InChI=1S/C18H12ClN5O/c19-15-10-13(6-8-20-15)18(25)21-14-7-9-24-16(11-14)22-17(23-24)12-4-2-1-3-5-12/h1-11H,(H,21,25)","","2022-01-25","2022-10-07","2-chloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","2022-10-12"],["2XT","propyl 2-(acetylamino)-4-O-{3-O-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranosyl}-2-deoxy-beta-D-glucopyranoside","C27 H40 N4 O11","O=C(NC4C(O)C(OC3OC(C(O)C(OCc1nnn(c1)Cc2ccccc2)C3O)CO)C(OC4OCCC)CO)C;CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4ccccc4)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O;CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C","InChI=1S/C27H40N4O11/c1-3-9-38-26-20(28-15(2)34)22(36)24(19(13-33)41-26)42-27-23(37)25(21(35)18(12-32)40-27)39-14-17-11-31(30-29-17)10-16-7-5-4-6-8-16/h4-8,11,18-27,32-33,35-37H,3,9-10,12-14H2,1-2H3,(H,28,34)/t18-,19-,20-,21+,22-,23-,24-,25+,26-,27+/m1/s1","","2014-04-09","2015-10-02","propyl 2-(acetylamino)-4-O-{3-O-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranosyl}-2-deoxy-beta-D-glucopyranoside","2015-10-07"],["ICL","[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER","C17 H23 Cl N2 O4","O=Cc1c(cccc1Cl)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C;CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1C=O;CC(C)C(C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C","InChI=1S/C17H23ClN2O4/c1-10(2)14(20-16(23)24-17(3,4)5)15(22)19-13-8-6-7-12(18)11(13)9-21/h6-10,14H,1-5H3,(H,19,22)(H,20,23)/t14-/m0/s1","","1999-07-08","2024-09-27","tert-butyl {(1S)-1-[(3-chloro-2-formylphenyl)carbamoyl]-2-methylpropyl}carbamate",""],["2XU","propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside","C28 H40 N4 O13","O=C(c1cccc(O)c1)Cn2nnc(c2)COC4C(O)C(OC(OC3C(OC(OCCC)C(NC(=O)C)C3O)CO)C4O)CO;CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(CC(=O)c4cccc(O)c4)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O;CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C","InChI=1S/C28H40N4O13/c1-3-7-41-27-21(29-14(2)35)23(39)25(20(12-34)44-27)45-28-24(40)26(22(38)19(11-33)43-28)42-13-16-9-32(31-30-16)10-18(37)15-5-4-6-17(36)8-15/h4-6,8-9,19-28,33-34,36,38-40H,3,7,10-13H2,1-2H3,(H,29,35)/t19-,20-,21-,22+,23-,24-,25-,26+,27-,28+/m1/s1","","2014-04-09","2015-10-02","propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside","2015-10-07"],["2XW","prop-2-en-1-yl 2-(acetylamino)-4-O-(3-O-{[1-(5-amino-1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranoside","C22 H34 N8 O11","O=C(NC4C(O)C(OC3OC(C(O)C(OCc2nnn(c1nc(N)nn1)c2)C3O)CO)C(OC4OC/C=C)CO)C;CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(nn3)c4n[nH]c(N)n4)[CH]2O)[CH](CO)O[CH]1OCC=C;CC(=O)NC1C(C(C(OC1OCC=C)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O","InChI=1S/C22H34N8O11/c1-3-4-37-19-13(24-9(2)33)15(35)17(12(7-32)40-19)41-20-16(36)18(14(34)11(6-31)39-20)38-8-10-5-30(29-26-10)22-25-21(23)27-28-22/h3,5,11-20,31-32,34-36H,1,4,6-8H2,2H3,(H,24,33)(H3,23,25,27,28)/t11-,12-,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1","","2014-04-09","2015-10-02","prop-2-en-1-yl 2-(acetylamino)-4-O-(3-O-{[1-(5-amino-1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranoside","2015-10-07"],["ICN","(S)-2-HYDROXY-2,3-DIMETHYLBUTANENITRILE","C6 H11 N O","N#CC(O)(C)C(C)C;CC(C)[C](C)(O)C#N;CC(C)C(C)(C#N)O","InChI=1S/C6H11NO/c1-5(2)6(3,8)4-7/h5,8H,1-3H3/t6-/m1/s1","","2005-01-20","2011-06-04","(2S)-2-hydroxy-2,3-dimethylbutanenitrile",""],["2XX","(2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one","C7 H10 O3","O=C1C(O)=C(OC1CC)C;CC[CH]1OC(=C(O)C1=O)C;CCC1C(=O)C(=C(O1)C)O","InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3/t5-/m1/s1","","2012-12-20","2013-04-12","(2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one","2013-04-17"],["ICO","1H-INDOLE-3-CARBOXYLIC ACID","C9 H7 N O2","O=C(O)c2c1ccccc1nc2;OC(=O)c1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C(=O)O","InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)","","2005-11-15","2011-06-04","1H-indole-3-carboxylic acid",""],["2XY","N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine","C11 H12 F3 N3 O3","[O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F;c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2","InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2","","2008-10-31","2012-01-05","",""],["ICP","2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE","C6 H7 N3","[N@H]=C/1N=C(N=CC1=C)C;CC1=NC(=N)C(=C)C=N1;CC1=NC(=N)C(=C)C=N1","InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3","4-IMINO-5-METHIDYL-2-METHYLPYRIMIDINE","2000-11-16","2021-03-01","(4Z)-2-methyl-5-methylidenepyrimidin-4(5H)-imine",""],["ICQ","2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide","C26 H24 N6 O2","CC(C)NC(=O)COc1cccc(c1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2;CC(C)NC(=O)COc1cccc(c1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5","InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)","","2022-03-10","2022-10-07","2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide","2022-10-12"],["2XZ","2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol","C20 H25 N5 O3 S2","n1c(c(sc1c2cc(OCCO)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCCO)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N","InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)","2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol","2014-04-09","2021-03-13","2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol","2015-02-18"],["2Y0","N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide","C20 H26 N6 O3 S3","O=S(=O)(NCCOc1cccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3cccc(OCCN[S](C)(=O)=O)c3;CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N","InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)","N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide","2014-04-09","2020-06-17","N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide","2015-02-18"],["ICR","(4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID","C9 H14 N3 O9 P","O=C(O)C1N=CN(C1=[N@H])C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=N[CH](C(O)=O)C2=N;[H]N=C1C(N=CN1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O","InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-6,8,10,13-14H,1H2,(H,15,16)(H2,17,18,19)/b10-7-/t3-,4-,5-,6-,8-/m1/s1","","2006-02-09","2011-06-04","(4R,5Z)-5-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxylic acid",""],["ICS","iron-sulfur-molybdenum cluster with interstitial carbon","C Fe7 Mo S9","S1|2[Fe]|3S4|[Fe]15S[Fe]67S|8[Mo]9|S%10[Fe]%11|8S[Fe]%12|2S|3[Fe]4%13S[Fe]%10(|S69)[C]57%11%12%13;C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12","InChI=1S/C.7Fe.Mo.9S","","2011-10-18","2011-12-02","",""],["2Y1","(R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine","C21 H26 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)C(Sc3nc(N)cc(n3)N)C;CCCc1sc(nc1[CH](C)Sc2nc(N)cc(N)n2)c3ccc(OC)c(OCCF)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)C(C)Sc3nc(cc(n3)N)N","InChI=1S/C21H26FN5O2S2/c1-4-5-16-19(12(2)30-21-25-17(23)11-18(24)26-21)27-20(31-16)13-6-7-14(28-3)15(10-13)29-9-8-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H4,23,24,25,26)/t12-/m1/s1","2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine","2014-04-09","2021-03-13","2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine","2015-02-18"],["2Y2","N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa\nnyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide","C33 H48 N6 O5 S","O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC;CSC[CH](NC(=O)c1[nH]c2ccccc2n1)C(=O)N[CH](CC3CCCCC3)[CH](O)C[CH](CC#C)C(=O)NCCN4CCOCC4;CSCC(C(=O)NC(CC1CCCCC1)C(CC(CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3","InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1","CP-108,420","2010-11-10","2020-06-17","N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide",""],["ICT","ISOCITRIC ACID","C6 H8 O7","O=C(O)C(CC(=O)O)C(O)C(=O)O;O[CH]([CH](CC(O)=O)C(O)=O)C(O)=O;C(C(C(C(=O)O)O)C(=O)O)C(=O)O","InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1","","1999-07-08","2011-06-04","3-carboxy-2,3-dideoxy-L-threo-pentaric acid",""],["ICU","METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE","C12 H13 N O6","O=C(OC)C(OC(=O)C)c1c(cc(N)cc1)C(=O)O;COC(=O)[CH](OC(C)=O)c1ccc(N)cc1C(O)=O;CC(=O)OC(c1ccc(cc1C(=O)O)N)C(=O)OC","InChI=1S/C12H13NO6/c1-6(14)19-10(12(17)18-2)8-4-3-7(13)5-9(8)11(15)16/h3-5,10H,13H2,1-2H3,(H,15,16)/t10-/m1/s1","","1999-07-08","2024-09-27","2-[(1R)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-5-aminobenzoic acid",""],["2Y3","N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide","C37 H58 N6 O6","O=C(NC)C(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2cncn2)CC3CCCCC3;CNC(=O)[CH](CC(C)C)C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2[nH]cnc2)NC(=O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C;CC(C)CC(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC","InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30+,31+,32+/m1/s1","","2010-11-10","2011-07-13","N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide",""],["ICV","5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione","C20 H17 F3 N4 O4 S","CC1(C)N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F;CC1(C(=O)N(C(=O)N1Cc2ccnc3c2cc[nH]3)c4ccc(cc4)S(=O)(=O)C(F)(F)F)C","InChI=1S/C20H17F3N4O4S/c1-19(2)17(28)27(13-3-5-14(6-4-13)32(30,31)20(21,22)23)18(29)26(19)11-12-7-9-24-16-15(12)8-10-25-16/h3-10H,11H2,1-2H3,(H,24,25)","","2023-07-28","2023-09-15","5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione","2023-09-20"],["2Y4","N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2\n-yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide","C32 H49 F2 N5 O6","O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3;CCCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)N2CCOCC2)C(=O)N[CH](CC3CCCCC3)[CH](O)C(F)(F)C(=O)NC;CCCCC(C(=O)NC(CC1CCCCC1)C(C(C(=O)NC)(F)F)O)NC(=O)C(Cc2ccccc2)NC(=O)N3CCOCC3","InChI=1S/C32H49F2N5O6/c1-3-4-15-24(28(41)37-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)36-29(42)26(21-23-13-9-6-10-14-23)38-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-27,40H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27+/m0/s1","CP-81,198","2010-11-09","2020-06-17","N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]amino}-1-oxohexan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (non-preferred name)",""],["ICW","(8S)-5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine","C21 H22 N6","Cn1cc(nc1CCc1nc2nc(cc(C)n2n1)C1CC1)c1ccccc1;Cn1cc(nc1CCc2nn3c(C)cc(nc3n2)C4CC4)c5ccccc5;Cc1cc(nc2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C5CC5","InChI=1S/C21H22N6/c1-14-12-17(16-8-9-16)23-21-24-19(25-27(14)21)10-11-20-22-18(13-26(20)2)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3","","2022-01-25","2022-10-07","(8S)-5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine","2022-10-12"],["2Y5","(2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","C47 H84 O16 P2","O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1","Phosphatidylinositol-4-phosphate; PI4P ","2014-05-12","2020-05-26","(2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","2015-07-29"],["2Y6","N-[(R)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide","C26 H25 Cl N2 O3 S2","Clc1ccccc1C(c3sc2c(cccc2c3)c4nccc(c4)C(O)(C)C)NS(=O)(=O)C5CC5;CC(C)(O)c1ccnc(c1)c2cccc3cc(sc23)[CH](N[S](=O)(=O)C4CC4)c5ccccc5Cl;CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)C(c4ccccc4Cl)NS(=O)(=O)C5CC5)O","InChI=1S/C26H25ClN2O3S2/c1-26(2,30)17-12-13-28-22(15-17)20-8-5-6-16-14-23(33-25(16)20)24(19-7-3-4-9-21(19)27)29-34(31,32)18-10-11-18/h3-9,12-15,18,24,29-30H,10-11H2,1-2H3/t24-/m1/s1","","2014-04-10","2015-03-13","N-[(R)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide","2015-03-18"],["ICX","methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate","C23 H25 I N2 O4","Ic1ccc(cc1)Cc2ccc(C(=O)NC=C/CCCC(=O)NCC(=O)OC)cc2;COC(=O)CNC(=O)CCCC=CNC(=O)c1ccc(Cc2ccc(I)cc2)cc1;COC(=O)CNC(=O)CCCC=CNC(=O)c1ccc(cc1)Cc2ccc(cc2)I","InChI=1S/C23H25IN2O4/c1-30-22(28)16-26-21(27)5-3-2-4-14-25-23(29)19-10-6-17(7-11-19)15-18-8-12-20(24)13-9-18/h4,6-14H,2-3,5,15-16H2,1H3,(H,25,29)(H,26,27)/b14-4-","","2008-04-25","2011-06-04","methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate",""],["ICY","S-(2-iodobenzyl)-L-cysteine","C10 H12 I N O2 S","Ic1ccccc1CSCC(C(=O)O)N;N[CH](CSCc1ccccc1I)C(O)=O;c1ccc(c(c1)CSCC(C(=O)O)N)I","InChI=1S/C10H12INO2S/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1","","2011-02-16","2024-09-27","S-(2-iodobenzyl)-L-cysteine",""],["2Y7","(S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine","C19 H22 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C;COc1ccc(cc1OCCF)c2sc(C)c(n2)[CH](C)Sc3nc(N)cc(N)n3;Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)C(C)Sc3nc(cc(n3)N)N","InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m0/s1","2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine","2014-04-10","2021-03-13","2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine","2014-11-05"],["2Y8","(R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine","C19 H22 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C;COc1ccc(cc1OCCF)c2sc(C)c(n2)[CH](C)Sc3nc(N)cc(N)n3;Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)C(C)Sc3nc(cc(n3)N)N","InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m1/s1","2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine","2014-04-10","2020-06-17","2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine","2014-11-05"],["ICZ","iron-sulfur-molybdenum cluster with interstitial carbon","C Fe7 Mo S7","S1[Fe]S[Fe]2S[Fe]3S[Fe]4S[Mo]5S[Fe][C]234([Fe]1)[Fe]S5;C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21","InChI=1S/C.7Fe.Mo.7S","","2019-09-26","2020-06-19","","2020-06-24"],["ID0","N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide","C9 H13 N3 O","CNC(=O)c1n[nH]c2CCCCc12;CNC(=O)c1c2c([nH]n1)CCCC2","InChI=1S/C9H13N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H2,1H3,(H,10,13)(H,11,12)","","2022-03-10","2022-08-22","~{N}-methyl-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide","2022-03-16"],["2Y9","(3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide","C26 H42 N4 O4","O=C(N(c1ncc(cc1)C(C)C)C2CC2)C3C(O)C(C(=O)NC(CC(C)C)COCC)CNC3;CCOC[CH](CC(C)C)NC(=O)[CH]1CNC[CH]([CH]1O)C(=O)N(C2CC2)c3ccc(cn3)C(C)C;CCOCC(CC(C)C)NC(=O)C1CNCC(C1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3","InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1","","2014-04-11","2014-08-01","(3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide","2014-08-06"],["2YA","4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline","C19 H15 Cl N4 O2","[O-][n+]4c1c(cccc1)c(OC(c3nnn(c2ccc(Cl)cc2)c3)C)cc4;C[CH](Oc1cc[n+]([O-])c2ccccc12)c3cn(nn3)c4ccc(Cl)cc4;CC(c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-]","InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1","","2014-04-11","2014-07-03","4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinoline 1-oxide","2014-07-08"],["ID1"," Imipenem","C12 H19 N3 O4 S","C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O;CC(C(C=O)C1CC(C(=N1)C(=O)O)SCCN=CN)O","InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1","","2015-11-14","2024-09-27","(2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2016-09-21"],["ID2","5-IODODEOXYURIDINE","C9 H11 I N2 O5","IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO;OC[CH]1O[CH](C[CH]1O)N2C=C(I)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O","InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5-iodouridine",""],["2YB","[(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid","C29 H32 O7 S","O=S(=O)(C)CCCOc1cc(c(c(c1)C)c2cccc(c2)COc4ccc3c(OCC3CC(=O)O)c4)C;Cc1cc(OCCC[S](C)(=O)=O)cc(C)c1c2cccc(COc3ccc4[CH](COc4c3)CC(O)=O)c2;Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OCC4CC(=O)O)C)OCCCS(=O)(=O)C","InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1","","2014-05-12","2014-09-05","[(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid","2014-07-16"],["2YC","N~6~-{[(2S,3S)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine","C12 H21 N3 O3","O=C(NCCCCC(C(=O)O)N)C1N=CCC1C;C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O;CC1CC=NC1C(=O)NCCCCC(C(=O)O)N","InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1","","2014-04-14","2014-04-22","N~6~-{[(2S,3S)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine","2014-04-23"],["ID3","(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one","C13 H20 O","O=C(C=CC1=C(C)CCCC1(C)C)C;CC(=O)C=CC1=C(C)CCCC1(C)C;CC1=C(C(CCC1)(C)C)C=CC(=O)C","InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+","beta-ionone","2010-10-12","2021-03-01","(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one",""],["ID4","4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide","C15 H16 F4 N4 O2 S","O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)CC3CCCCC3)N;N[S](=O)(=O)c1c(F)c(F)c(n2cc(CC3CCCCC3)nn2)c(F)c1F;c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3","InChI=1S/C15H16F4N4O2S/c16-10-12(18)15(26(20,24)25)13(19)11(17)14(10)23-7-9(21-22-23)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,20,24,25)","","2012-03-08","2013-03-22","4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide","2013-03-27"],["2YD","(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one","C29 H44 O6","O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C;C[CH]1C[CH](C)[C]2(O)C[CH]3C(=C(C)C(=O)C(=C3[CH]4O[CH](CC[CH](C)C=C(C)C1)[CH](C)[CH](O)[CH]4C)O)O2;CC1CCC2C(C(C(C(O2)C3=C(C(=O)C(=C4C3CC(O4)(C(CC(CC(=C1)C)C)C)O)C)O)C)O)C","InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1","Kendomycin","2014-05-01","2024-09-27","(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one","2014-07-30"],["2YE","2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide","C16 H16 N4 O","CN(C)C(=O)c1cc(ccc1N)c1cc2cc[NH]c2nc1;CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2;CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2","InChI=1S/C16H16N4O/c1-20(2)16(21)13-8-10(3-4-14(13)17)12-7-11-5-6-18-15(11)19-9-12/h3-9H,17H2,1-2H3,(H,18,19)","","2021-06-30","2021-12-31","2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide","2022-01-05"],["ID5","[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID","C17 H10 F4 N2 O4 S","Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2;OC(=O)COc1cc(F)ccc1C(=O)NCc2sc3c(F)cc(F)c(F)c3n2;c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F","InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)","IDD552","2004-05-07","2020-06-17","(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid",""],["ID6","2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one","C20 H20 Cl N O2","Clc1ccc(cc1)Cn3c(c2c(C(OCC)=CC=CC2=O)c3C)C;CCOC1=CC=CC(=O)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12;CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C","InChI=1S/C20H20ClNO2/c1-4-24-18-7-5-6-17(23)19-13(2)22(14(3)20(18)19)12-15-8-10-16(21)11-9-15/h5-11H,4,12H2,1-3H3","","2014-02-12","2014-04-25","2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one","2014-04-30"],["2YF","N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine","C12 H21 N3 O3","O=C(NCCCCC(C(=O)O)N)C1N=CCCC1;N[CH](CCCCNC(=O)[CH]1CCCC=N1)C(O)=O;C1CC=NC(C1)C(=O)NCCCCC(C(=O)O)N","InChI=1S/C12H21N3O3/c13-9(12(17)18)5-1-3-8-15-11(16)10-6-2-4-7-14-10/h7,9-10H,1-6,8,13H2,(H,15,16)(H,17,18)/t9-,10+/m0/s1","","2014-04-14","2014-04-18","N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine","2014-04-23"],["2YG","N~6~-L-lysyl-L-lysine","C12 H26 N4 O3","O=C(O)C(N)CCCCNC(=O)C(N)CCCCN;NCCCC[CH](N)C(=O)NCCCC[CH](N)C(O)=O;C(CCN)CC(C(=O)NCCCCC(C(=O)O)N)N","InChI=1S/C12H26N4O3/c13-7-3-1-5-9(14)11(17)16-8-4-2-6-10(15)12(18)19/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1","","2014-04-14","2014-04-18","N~6~-L-lysyl-L-lysine","2014-04-23"],["ID7","(3R)-piperidine-3-carboxylic acid","C6 H11 N O2","OC(=O)[CH]1CCCNC1;C1CC(CNC1)C(=O)O","InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1","(R)-nipecotic acid","2022-06-27","2023-04-21","(3~{R})-piperidine-3-carboxylic acid","2023-04-26"],["ID8","2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID","C15 H15 N O2","O=C(O)c2c(Nc1cccc(c1C)C)cccc2;Cc1cccc(Nc2ccccc2C(O)=O)c1C;Cc1cccc(c1C)Nc2ccccc2C(=O)O","InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)","MEFENAMIC ACID","2010-07-30","2020-06-17","2-[(2,3-dimethylphenyl)amino]benzoic acid",""],["2YH","N~5~-D-ornithyl-L-ornithine","C10 H22 N4 O3","O=C(O)C(N)CCCNC(=O)C(N)CCCN;NCCC[CH](N)C(=O)NCCC[CH](N)C(O)=O;C(CC(C(=O)NCCCC(C(=O)O)N)N)CN","InChI=1S/C10H22N4O3/c11-5-1-3-7(12)9(15)14-6-2-4-8(13)10(16)17/h7-8H,1-6,11-13H2,(H,14,15)(H,16,17)/t7-,8+/m1/s1","","2014-04-14","2014-04-18","N~5~-D-ornithyl-L-ornithine","2014-04-23"],["ID9","(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine","C19 H19 N5 O","Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1;Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4;Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C","InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3","","2022-01-25","2022-10-07","(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine","2022-10-12"],["2YI","methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate","C27 H32 Br N3 O5","CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3)C(=O)OC;CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br","InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)","","2021-06-23","2024-09-27","methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate","2021-07-07"],["IDA","(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID","C15 H18 N2 O3","O=C(O)Cc1cc(cc2c1nc(c2)CC(=O)N)CCC;CCCc1cc(CC(O)=O)c2[nH]c(CC(N)=O)cc2c1;CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N","InChI=1S/C15H18N2O3/c1-2-3-9-4-10-6-12(8-13(16)18)17-15(10)11(5-9)7-14(19)20/h4-6,17H,2-3,7-8H2,1H3,(H2,16,18)(H,19,20)","","2003-04-09","2011-06-04","[2-(2-amino-2-oxoethyl)-5-propyl-1H-indol-7-yl]acetic acid",""],["2YJ","N~5~-D-lysyl-L-ornithine","C11 H24 N4 O3","O=C(O)C(N)CCCNC(=O)C(N)CCCCN;NCCCC[CH](N)C(=O)NCCC[CH](N)C(O)=O;C(CCN)CC(C(=O)NCCCC(C(=O)O)N)N","InChI=1S/C11H24N4O3/c12-6-2-1-4-8(13)10(16)15-7-3-5-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1","","2014-04-14","2014-04-18","N~5~-D-lysyl-L-ornithine","2014-04-23"],["2YK","6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine","C17 H16 N6 O2 S","n1nc3ccc(nn3c1c2cn(nc2)C)Sc4cc(OC)ccc4OC;COc1ccc(OC)c(Sc2ccc3nnc(n3n2)c4cnn(C)c4)c1;Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC","InChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)17-20-19-15-6-7-16(21-23(15)17)26-14-8-12(24-2)4-5-13(14)25-3/h4-10H,1-3H3","","2014-04-16","2014-08-29","6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine","2014-09-03"],["IDB","3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID","C20 H14 I6 N2 O6","O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I;OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I;c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I","InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)","3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)","2005-07-26","2020-06-17","3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)",""],["2YL","6-amino-4-phenyl-1,3,5-triazin-2(1H)-one","C9 H8 N4 O","O=C1N=C(N=C(N)N1)c2ccccc2;NC1=NC(=NC(=O)N1)c2ccccc2;c1ccc(cc1)C2=NC(=O)NC(=N2)N","InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)","","2014-04-17","2015-06-05","6-amino-4-phenyl-1,3,5-triazin-2(1H)-one","2015-06-10"],["IDC","(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside","C14 H22 N2 O9","O(C2C(O)C(O)c1nccn1C2CO)C3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)c3nccn3[CH]2CO)[CH](O)[CH](O)[CH]1O;c1cn2c(n1)C(C(C(C2CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1","5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-6YL-7,8-DIOL-GLUCOPYRANOSIDE; IMIDAZOLE-DERIVED CELLOBIOSE;\n(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucoside;\n(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl D-glucoside;\n(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl glucoside","1999-08-03","2020-07-17","(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside",""],["2YM","6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C16 H21 N7 O","O=C4N=C(N)Nc2c4cc3nc(NCCN1CCCCC1)nc3c2;NC1=NC(=O)c2cc3nc(NCCN4CCCCC4)[nH]c3cc2N1;c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N","InChI=1S/C16H21N7O/c17-15-19-11-9-13-12(8-10(11)14(24)22-15)20-16(21-13)18-4-7-23-5-2-1-3-6-23/h8-9H,1-7H2,(H2,18,20,21)(H3,17,19,22,24)","","2014-04-17","2014-07-03","6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2014-07-08"],["IDD","(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL","C14 H16 N2 O4","OC2c1nc(cn1C(C(O)C2O)CO)c3ccccc3;OC[CH]1[CH](O)[CH](O)[CH](O)c2nc(cn12)c3ccccc3;c1ccc(cc1)c2cn3c(n2)C(C(C(C3CO)O)O)O","InChI=1S/C14H16N2O4/c17-7-10-11(18)12(19)13(20)14-15-9(6-16(10)14)8-4-2-1-3-5-8/h1-6,10-13,17-20H,7H2/t10-,11-,12+,13-/m1/s1","GLUCO-PHENYLIMIDAZOLE","2002-05-22","2021-03-01","(5R,6R,7S,8S)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol",""],["2YN","(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]","C6 H20 O30 P8","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m0/s1","","2014-04-17","2014-08-01","(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]","2014-08-06"],["IDE","(5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL","C15 H19 N3 O4","OC2c1nc(cn1C(C(O)C2O)CO)CNc3ccccc3;OC[CH]1[CH](O)[CH](O)[CH](O)c2nc(CNc3ccccc3)cn12;c1ccc(cc1)NCc2cn3c(n2)C(C(C(C3CO)O)O)O","InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14-/m1/s1","ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE","2005-05-11","2021-03-01","(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol",""],["2YO","2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C16 H20 N6 O","O=C4N=CNc2c4cc3nc(NCCN1CCCCC1)nc3c2;O=C1N=CNc2cc3[nH]c(NCCN4CCCCC4)nc3cc12;c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O","InChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)","","2014-04-24","2014-07-03","2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2014-07-08"],["IDF","5-fluoro-alpha-L-idopyranosyluronic acid fluoride","C6 H8 F2 O6","FC1OC(F)(C(=O)O)C(O)C(O)C1O;O[CH]1[CH](F)O[C](F)([CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)(C(=O)O)F)F)O)O","InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1","5-fluoro-alpha-L-idosyluronic acid fluoride; 5-fluoro-L-idosyluronic acid fluoride; 5-fluoro-idosyluronic acid\nfluoride","2013-05-07","2020-07-17","(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)","2013-09-18"],["IDG","2,6-diamino-2,6-dideoxy-beta-L-idopyranose","C6 H14 N2 O4","OC1C(O)C(OC(O)C1N)CN;NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)N","InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5+,6-/m0/s1","O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE; 2,6-diamino-2,6-dideoxy-beta-L-idose; 2,6-diamino-2,6-dideoxy-L-idose;\n2,6-diamino-2,6-dideoxy-idose","1999-07-08","2020-07-17","2,6-diamino-2,6-dideoxy-beta-L-idopyranose",""],["2YP","(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid","C19 H30 N2 O12","O=C(O)C(OC3C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C2OC(OC2)C3NC(=O)C)C;C[CH](O[CH]1[CH](NC(C)=O)[CH]2OC[CH](O2)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C2OCC(C1OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O2)NC(=O)C","InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1","","2014-04-24","2014-05-16","(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)","2014-05-21"],["2YQ","(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one","C19 H14 F2 N6 O","Fc1ccc(cc1)C5Nc2c3c(cc(F)c2)C(=O)NN=C3C5c4ncnn4C;Cn1ncnc1[CH]2[CH](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5;Cn1c(ncn1)C2C(Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F","InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1","Talazoparib","2014-05-13","2021-03-01","(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one","2014-09-24"],["IDH","(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE","C4 H5 I N2 O2","O=C1NC(=O)NCC1I;I[CH]1CNC(=O)NC1=O;C1C(C(=O)NC(=O)N1)I","InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1","","2002-01-15","2011-06-04","(5S)-5-iododihydropyrimidine-2,4(1H,3H)-dione",""],["IDI","7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE","C9 H10 I N","Ic1ccc2c(c1)CNCC2;Ic1ccc2CCNCc2c1;c1cc2c(cc1I)CNCC2","InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2","","2002-12-02","2011-06-04","7-iodo-1,2,3,4-tetrahydroisoquinoline",""],["2YR","2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)","C11 H18 N3 O7 P S","O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCS)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)NCCS;C1C(C(OC1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O","InChI=1S/C11H18N3O7PS/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9(12-2-4-23)13-11(14)16/h1,3,7-8,10,15,23H,2,4-6H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1","","2014-04-28","2024-09-27","2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)","2014-05-21"],["2YS","D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide","C18 H37 Cl N4 O3","O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](N)C(C)C)C(=O)N[CH](CCCCN)[CH](O)CCl;CC(C)CC(C(=O)NC(CCCCN)C(CCl)O)NC(=O)C(C(C)C)N","InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1","D-VAL-LEU-LYS-chloromethylketone","2014-04-29","2024-09-27","D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide","2014-09-03"],["IDJ","(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid","C6 H11 N O5","O=C(O)C1NCC(O)C(O)C1O;O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O;C1C(C(C(C(N1)C(=O)O)O)O)O","InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1","[2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine","2013-05-07","2020-06-17","(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid","2013-09-18"],["IDK","N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide","C21 H22 N4 O3 S","c2(cccc(NS(=O)(CC1CC1)=O)c2)c5cc4nnc(NC(=O)C3CC3)c4cc5;O=C(Nc1n[nH]c2cc(ccc12)c3cccc(N[S](=O)(=O)CC4CC4)c3)C5CC5;c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5","InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)","","2016-02-11","2016-03-04","N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide","2016-03-09"],["2YT","L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide","C25 H35 Cl N6 O3","ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N;N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCCNC(N)=N)[CH](O)CCl;c1ccc(cc1)CC(C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=N)N)C(CCl)O)N","InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1","PHE-PHE-ARG-chloromethylketone","2014-04-29","2024-09-27","L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide","2014-09-03"],["2YU","1-hydroxy-4-methylpyridine-2(1H)-thione","C6 H7 N O S","S=C1C=C(C=CN1O)C;CC1=CC(=S)N(O)C=C1;CC1=CC(=S)N(C=C1)O","InChI=1S/C6H7NOS/c1-5-2-3-7(8)6(9)4-5/h2-4,8H,1H3","","2014-04-29","2015-03-06","1-hydroxy-4-methylpyridine-2(1H)-thione","2015-03-11"],["IDL","imidazo[1,2-a]pyridin-3-ylacetic acid","C9 H8 N2 O2","O=C(O)Cc1cnc2ccccn12;OC(=O)Cc1cnc2ccccn12;c1ccn2c(c1)ncc2CC(=O)O","InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)","","2011-11-29","2011-12-09","imidazo[1,2-a]pyridin-3-ylacetic acid",""],["2YV","6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C17 H16 N6 O","O=C2c3cc1nc(nc1cc3N=C(N)N2)NCCc4ccccc4;NC1=Nc2cc3nc(NCCc4ccccc4)[nH]c3cc2C(=O)N1;c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N","InChI=1S/C17H16N6O/c18-16-20-12-9-14-13(8-11(12)15(24)23-16)21-17(22-14)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21,22)(H3,18,20,23,24)","","2014-04-29","2015-05-15","6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2015-05-20"],["IDM","INDOLINE","C8 H9 N","c1cccc2c1CCN2;C1Cc2ccccc2N1;c1ccc2c(c1)CCN2","InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2","","1999-07-08","2011-06-04","2,3-dihydro-1H-indole",""],["2YW","methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate","C19 H18 N6 O3","O=C(OC)c1ccc(cc1)CCNc2nc4c(n2)cc3c(N=C(N)NC3=O)c4;COC(=O)c1ccc(CCNc2[nH]c3cc4C(=O)NC(=Nc4cc3n2)N)cc1;COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N","InChI=1S/C19H18N6O3/c1-28-17(27)11-4-2-10(3-5-11)6-7-21-19-23-14-8-12-13(9-15(14)24-19)22-18(20)25-16(12)26/h2-5,8-9H,6-7H2,1H3,(H2,21,23,24)(H3,20,22,25,26)","","2014-04-29","2015-05-15","methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate","2015-05-20"],["IDN","(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE","C22 H22 N4 O2","O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C;CN(Cc1cn(C)c2ccccc12)C(=O)C=Cc3cnc4NC(=O)CCc4c3;Cn1cc(c2c1cccc2)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4","InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+","INDOLE NAPHTHYRIDINONE","2002-08-28","2020-06-17","(2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide",""],["IDO","IODO GROUP","I","I;[I];[I-]","InChI=1/HI/h1H","","1999-07-08","2008-10-14","hydrogen iodide",""],["2YX","4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile","C18 H15 N7 O","N#Cc1ccc(cc1)CCNc2nc4c(n2)cc3c(N=C(N)NC3=O)c4;NC1=Nc2cc3nc(NCCc4ccc(cc4)C#N)[nH]c3cc2C(=O)N1;c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N","InChI=1S/C18H15N7O/c19-9-11-3-1-10(2-4-11)5-6-21-18-23-14-7-12-13(8-15(14)24-18)22-17(20)25-16(12)26/h1-4,7-8H,5-6H2,(H2,21,23,24)(H3,20,22,25,26)","","2014-04-29","2015-05-15","4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile","2015-05-20"],["2YY","4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid","C18 H16 N6 O3","O=C(O)c1ccc(cc1)CCNc2nc4c(n2)cc3c(N=C(N)NC3=O)c4;NC1=Nc2cc3nc(NCCc4ccc(cc4)C(O)=O)[nH]c3cc2C(=O)N1;c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O","InChI=1S/C18H16N6O3/c19-17-21-12-8-14-13(7-11(12)15(25)24-17)22-18(23-14)20-6-5-9-1-3-10(4-2-9)16(26)27/h1-4,7-8H,5-6H2,(H,26,27)(H2,20,22,23)(H3,19,21,24,25)","","2014-04-29","2015-05-15","4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid","2015-05-20"],["IDP","INOSINE-5'-DIPHOSPHATE","C10 H14 N4 O11 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O","InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","inosine 5'-(trihydrogen diphosphate)",""],["2YZ","[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid","C16 H14 F N O4","O=C(O)COc2cc(F)ccc2C(=O)NCc1ccccc1;OC(=O)COc1cc(F)ccc1C(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F","InChI=1S/C16H14FNO4/c17-12-6-7-13(14(8-12)22-10-15(19)20)16(21)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,21)(H,19,20)","","2014-05-01","2015-06-05","[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid","2015-06-10"],["IDQ","1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine","C22 H25 N5","CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4;CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N","InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)","","2015-07-07","2015-09-18","1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine","2015-09-23"],["2Z0","N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)\nbutyl]glycinamide","C26 H37 Cl N7 O7 S","ClCC(=O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2ccc1c(cccc1N(C)C)c2)CCC(=O)O)CCCNC(=[NH2+])N;CN(C)c1cccc2cc(ccc12)[S](=O)(=O)N[CH](CCC(O)=O)C(=O)NCC(=O)N[CH](CCCNC(N)=[NH2+])C(=O)CCl;CN(C)c1cccc2c1ccc(c2)S(=O)(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCNC(=[NH2+])N)C(=O)CCl","InChI=1S/C26H36ClN7O7S/c1-34(2)21-7-3-5-16-13-17(8-9-18(16)21)42(40,41)33-20(10-11-24(37)38)25(39)31-15-23(36)32-19(22(35)14-27)6-4-12-30-26(28)29/h3,5,7-9,13,19-20,33H,4,6,10-12,14-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/p+1/t19-,20-/m0/s1","dansyl-Glu-Gly-Arg-chloromethyl-ketone","2008-08-28","2024-09-27","N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]glycinamide",""],["IDR","alpha-L-idopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1","alpha-L-iduronic acid; L-iduronic acid; iduronic acid","2000-12-12","2020-07-17","alpha-L-idopyranuronic acid",""],["2Z3","N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide","C32 H49 F2 N5 O7","O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3;CCCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)N2CCOCC2)C(=O)N[CH](CC3CCCCC3)C(O)(O)C(F)(F)C(=O)NC","InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1","CP-81,282","2008-08-28","2021-03-13","N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide",""],["IDS","2-O-sulfo-alpha-L-idopyranuronic acid","C6 H10 O10 S","O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O","InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1","O2-SULFO-GLUCURONIC ACID; 2-O-sulfo-alpha-L-iduronic acid; 2-O-sulfo-L-iduronic acid; 2-O-sulfo-iduronic acid","1999-07-08","2020-07-17","2-O-sulfo-alpha-L-idopyranuronic acid",""],["2Z4","benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate","C46 H59 N5 O9","O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)C(O)C(NCc3ccc(OC)cc3)C(=O)NC(C(=O)NCc4ccc(OC)cc4O)C(C)C)C(C)(C)C;COc1ccc(CN[CH]([CH](O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)OCc3ccccc3)C(C)(C)C)C(=O)N[CH](C(C)C)C(=O)NCc4ccc(OC)cc4O)cc1;CC(C)C(C(=O)NCc1ccc(cc1O)OC)NC(=O)C(C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC","InChI=1S/C46H59N5O9/c1-29(2)38(42(54)48-27-33-20-23-35(59-7)25-37(33)52)50-43(55)39(47-26-31-18-21-34(58-6)22-19-31)40(53)36(24-30-14-10-8-11-15-30)49-44(56)41(46(3,4)5)51-45(57)60-28-32-16-12-9-13-17-32/h8-23,25,29,36,38-41,47,52-53H,24,26-28H2,1-7H3,(H,48,54)(H,49,56)(H,50,55)(H,51,57)/t36-,38-,39+,40+,41+/m0/s1","SDZ283-910","2008-08-28","2021-03-01","benzyl [(1S)-1-({(1S,2R,3R)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate",""],["IDT","4,5-DEHYDRO-L-IDURONIC ACID","C6 H8 O7","O=C(O)C=1OC(O)C(O)C(O)C=1O;O[CH]1OC(=C(O)[CH](O)[CH]1O)C(O)=O;C1(C(C(=C(OC1O)C(=O)O)O)O)O","InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6+/m0/s1/f/h10H","","2000-12-14","2009-08-25","alpha-L-threo-hex-4-enopyranuronic acid",""],["IDU","2-O-sulfo-beta-L-altropyranuronic acid","C6 H10 O10 S","O=C(O)C1OC(O)C(OS(=O)(=O)O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O","InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4-,6+/m1/s1","2-O-sulfo-beta-L-altruronic acid; 2-O-sulfo-L-altruronic acid; 2-O-sulfo-altruronic acid","1999-07-08","2020-07-17","2-O-sulfo-beta-L-altropyranuronic acid",""],["2Z5","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide","C18 H23 F6 N4 O3","O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])C;C[CH](NC(=O)[CH](CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C(F)(F)F","InChI=1S/C18H22F6N4O3/c1-10(14(29)27-12-7-5-11(6-8-12)17(19,20)21)26-15(30)13(4-2-3-9-25)28-16(31)18(22,23)24/h5-8,10,13H,2-4,9,25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/p+1/t10-,13-/m0/s1","","2009-01-12","2011-07-13","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide",""],["2ZC","O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine","C11 H16 N2 O5 S","O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN;NCCc1ccc(cc1)[S](=O)(=O)OC[CH](N)C(O)=O;c1cc(ccc1CCN)S(=O)(=O)OCC(C(=O)O)N","InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1","","2014-05-01","2024-09-27","O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine","2014-05-14"],["IDV","N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide","C19 H21 N5 O3 S","c1cc(cc(NS(=O)(N(C)C)=O)c1)c2cc4c(cc2)c(NC(=O)C3CC3)nn4;CN(C)[S](=O)(=O)Nc1cccc(c1)c2ccc3c([nH]nc3NC(=O)C4CC4)c2;CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4","InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)","","2016-02-11","2016-03-04","N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide","2016-03-09"],["IDW","~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine","C20 H20 N8 O S","Cc1cc(Nc2sccn2)nc(n1)N3CCC[CH]3c4onc(c4)c5nccnc5C;Cc1cc(nc(n1)N2CCCC2c3cc(no3)c4c(nccn4)C)Nc5nccs5","InChI=1S/C20H20N8OS/c1-12-10-17(26-20-23-7-9-30-20)25-19(24-12)28-8-3-4-15(28)16-11-14(27-29-16)18-13(2)21-5-6-22-18/h5-7,9-11,15H,3-4,8H2,1-2H3,(H,23,24,25,26)/t15-/m0/s1","","2022-03-11","2022-08-22","~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine","2022-08-17"],["2ZE","(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale\nne-3,9-diol","C20 H34 O4","OCC4(O)C3CC2C(C1(C(C(C)(CO)C(O)CC1)CC2)C)(C3)CC4;C[C]1(CO)[CH](O)CC[C]2(C)[CH]1CC[CH]3C[CH]4C[C]23CC[C]4(O)CO;CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O","InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1","Aphidicolin","2014-05-01","2020-06-17","(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol","2014-11-26"],["IDX","2-O-sulfo-alpha-L-gulopyranuronic acid","C6 H10 O10 S","O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O","InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4-,6+/m0/s1","2-O-sulfo-alpha-L-guluronic acid; 2-O-sulfo-L-guluronic acid; 2-O-sulfo-guluronic acid","2008-06-13","2020-07-17","2-O-sulfo-alpha-L-gulopyranuronic acid",""],["2ZF","N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide","C21 H33 F2 N3 O9","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)C(=O)O)CC(F)F)CC(C)C)CCC(=O)O;CC(C)C[CH](NC(=O)[CH](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[CH](CC(F)F)C(=O)C(O)=O","InChI=1S/C21H33F2N3O9/c1-10(2)8-13(18(31)24-12(9-14(22)23)16(29)19(32)33)25-17(30)11(6-7-15(27)28)26-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t11-,12-,13-/m0/s1","","2008-12-12","2024-09-27","N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide",""],["2ZI","8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","C16 H11 F3 N2 O","Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F;Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)","","2015-03-19","2016-04-08","8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","2016-04-13"],["IDY","1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid","C7 H12 O10 S","O=C(O)C1OC(OC)C(OS(=O)(=O)O)C(O)C1O;CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;COC1C(C(C(C(O1)C(=O)O)O)O)OS(=O)(=O)O","InChI=1S/C7H12O10S/c1-15-7-5(17-18(12,13)14)3(9)2(8)4(16-7)6(10)11/h2-5,7-9H,1H3,(H,10,11)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1","methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid; 1-O-methyl-2-O-sulfo-alpha-L-iduronic acid;\n1-O-methyl-2-O-sulfo-L-iduronic acid; 1-O-methyl-2-O-sulfo-iduronic acid","2011-11-03","2020-07-17","methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid","2012-11-23"],["2ZL","N~2~-benzyl-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","C17 H19 F N2 O4 S","Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccccc2)C;C[CH](N(Cc1ccccc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO","InChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1","","2014-05-15","2014-11-07","N~2~-benzyl-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","2014-11-12"],["IDZ","3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE","C14 H10 N4","n2c(c1ccccc1n2)c3nc4ccccc4n3;[nH]1nc(c2[nH]c3ccccc3n2)c4ccccc14;c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3","InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)","","2005-10-10","2011-06-04","3-(1H-benzimidazol-2-yl)-1H-indazole",""],["2ZM","5-nitro-1H-benzimidazole","C7 H5 N3 O2","[O-][N+](=O)c1cc2ncnc2cc1;[O-][N+](=O)c1ccc2[nH]cnc2c1;c1cc2c(cc1[N+](=O)[O-])nc[nH]2","InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)","","2013-09-20","2014-02-14","5-nitro-1H-benzimidazole","2014-02-19"],["IE0","(5S)-5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione","C19 H15 F3 N4 O2 S","C[CH]1N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4;CC1C(=O)N(C(=O)N1Cc2ccnc3c2cc[nH]3)c4ccc(cc4)SC(F)(F)F","InChI=1S/C19H15F3N4O2S/c1-11-17(27)26(13-2-4-14(5-3-13)29-19(20,21)22)18(28)25(11)10-12-6-8-23-16-15(12)7-9-24-16/h2-9,11H,10H2,1H3,(H,23,24)/t11-/m0/s1","","2023-07-28","2023-09-15","(5~{S})-5-methyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione","2023-09-20"],["IE1","4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dihydro-1H-pyrazole-3-carboxamide","C20 H25 N7 O2","O=C(NCCc1nc(nn1C)c1ccccc1)C1=C(CNN1C)C(=O)N1CCC1;CN1NCC(=C1C(=O)NCCc2nc(nn2C)c3ccccc3)C(=O)N4CCC4;Cn1c(nc(n1)c2ccccc2)CCNC(=O)C3=C(CNN3C)C(=O)N4CCC4","InChI=1S/C20H25N7O2/c1-25-16(23-18(24-25)14-7-4-3-5-8-14)9-10-21-19(28)17-15(13-22-26(17)2)20(29)27-11-6-12-27/h3-5,7-8,22H,6,9-13H2,1-2H3,(H,21,28)","","2022-01-25","2022-10-07","4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dihydro-1H-pyrazole-3-carboxamide","2022-10-12"],["2ZO","N,N,N-trimethyl-4-oxobutan-1-aminium","C7 H16 N O","O=CCCC[N+](C)(C)C;C[N+](C)(C)CCCC=O;C[N+](C)(C)CCCC=O","InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1","4-N-trimethylaminobutyraldehyde","2014-05-01","2020-06-17","N,N,N-trimethyl-4-oxobutan-1-aminium","2014-05-21"],["2ZQ","8-nitroquinoline","C9 H6 N2 O2","[O-][N+](=O)c1cccc2cccnc12;[O-][N+](=O)c1cccc2cccnc12;c1cc2cccnc2c(c1)[N+](=O)[O-]","InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H","","2013-09-20","2014-05-09","8-nitroquinoline","2014-05-14"],["IE2","4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide","C16 H14 N4 O2 S2","O=S(=O)(N)c4ccc(n3ncc2c3c1c(nc(cc1)C)SC2)cc4;Cc1ccc2c(SCc3cnn(c4ccc(cc4)[S](N)(=O)=O)c23)n1;Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N","InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)","","2011-03-10","2012-03-02","4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide",""],["2ZS","N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide","C31 H48 N4 O7 S","O=C(NC(C(=O)NC(C(=O)NC(C(O)C(=O)OC(C)C)CC1CCCCC1)CSC)Cc2ccccc2)N3CCOCC3;CSC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)N2CCOCC2)C(=O)N[CH](CC3CCCCC3)[CH](O)C(=O)OC(C)C;CC(C)OC(=O)C(C(CC1CCCCC1)NC(=O)C(CSC)NC(=O)C(Cc2ccccc2)NC(=O)N3CCOCC3)O","InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1","CP-80,794","2008-09-08","2021-03-13","N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide",""],["IE3","[3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone","C23 H28 O10 S","COc1ccc(cc1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)c3cc(OC)c(OC)c(OC)c3;COc1ccc(cc1SC2C(C(C(C(O2)CO)O)O)O)C(=O)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C23H28O10S/c1-29-13-6-5-11(18(25)12-7-14(30-2)22(32-4)15(8-12)31-3)9-17(13)34-23-21(28)20(27)19(26)16(10-24)33-23/h5-9,16,19-21,23-24,26-28H,10H2,1-4H3/t16-,19+,20+,21-,23+/m1/s1","","2022-03-11","2023-01-13","[3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone","2023-01-18"],["2ZT","2-[(quinolin-7-yloxy)methyl]quinoline","C19 H14 N2 O","n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4;C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3;c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3","InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2","","2013-09-20","2014-05-09","2-[(quinolin-7-yloxy)methyl]quinoline","2014-05-14"],["IE4","N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide","C13 H14 N4 O2 S2","O=S(=O)(c3sc(C1=CN=C2C1=CC=CN2)cc3)NCCN;NCCN[S](=O)(=O)c1sc(cc1)c2cnc3[nH]cccc23;c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN","InChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16)","","2013-04-10","2014-09-05","N-(2-aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide","2013-07-03"],["2ZU","2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline","C18 H14 N2 O S","n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C;Cc1sc2ccc(OCc3ccc4ccccc4n3)cc2n1;Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3","InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3","","2013-09-23","2014-05-09","2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline","2014-05-14"],["IE5","Biliverdine IX Alpha","C33 H34 N4 O6","Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)C=C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C=C)C;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-","3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2022-06-27","2023-09-20","3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2023-05-24"],["IE6","N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide","C14 H16 N4 O2 S2","O=S(=O)(c3sc(c1c2c(ncc1)nc(c2)C)cc3)NCCN;Cc1[nH]c2nccc(c3sc(cc3)[S](=O)(=O)NCCN)c2c1;Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN","InChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)","","2013-04-10","2014-09-05","N-(2-aminoethyl)-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide","2013-07-03"],["2ZV","4-methyl-3-nitropyridin-2-amine","C6 H7 N3 O2","O=[N+]([O-])c1c(ccnc1N)C;Cc1ccnc(N)c1[N+]([O-])=O;Cc1ccnc(c1[N+](=O)[O-])N","InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)","","2013-09-20","2014-05-09","4-methyl-3-nitropyridin-2-amine","2014-05-14"],["2ZW","3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide","C20 H19 Cl N2 O2","Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C;CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1;Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C","InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)","","2014-05-02","2014-10-10","3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide","2014-10-15"],["IE7","4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C21 H19 N7 O2","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn4nc(nc4c3)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn4c(c3)nc(n4)c5ccccc5","InChI=1S/C21H19N7O2/c1-26-18(16(13-22-26)21(30)27-9-5-10-27)20(29)23-15-8-11-28-17(12-15)24-19(25-28)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,29)","","2022-01-25","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["2ZX","6-chloropyrimidine-2,4-diamine","C4 H5 Cl N4","Clc1nc(nc(N)c1)N;Nc1cc(Cl)nc(N)n1;c1c(nc(nc1Cl)N)N","InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)","","2013-09-20","2014-05-09","6-chloropyrimidine-2,4-diamine","2014-05-14"],["IE8","5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine","C24 H20 N4 O2","n2cc(OC(c1ccccc1)CN)cc(c2c3ccoc3)c5c4cccnc4nc5;NC[CH](Oc1cnc(c2cocc2)c(c1)c3c[nH]c4ncccc34)c5ccccc5;c1ccc(cc1)C(CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5","InChI=1S/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/t22-/m0/s1","","2013-04-10","2013-06-28","(2R)-2-{[6-(furan-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-yl]oxy}-2-phenylethanamine","2013-07-03"],["2ZY","(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one","C13 H9 F5 N2 O2","O=C1C(N=C(N1CC(F)(F)F)C)=Cc2cc(F)c(O)c(F)c2;CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(F)(F)F;CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(F)(F)F","InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-","","2014-05-06","2014-06-13","(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one","2014-06-18"],["IEA","5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione","C22 H18 F3 N3 O4 S","CC1(C)N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F;CC1(C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F)C","InChI=1S/C22H18F3N3O4S/c1-21(2)19(29)28(15-7-9-16(10-8-15)33(31,32)22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18/h3-12H,13H2,1-2H3","","2023-07-28","2023-09-15","5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione","2023-09-20"],["2ZZ","(5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one","C12 H11 Br N2 O","O=C1C(N=C(N1C)C)=Cc2cccc(Br)c2;CN1C(=NC(=Cc2cccc(Br)c2)C1=O)C;CC1=NC(=Cc2cccc(c2)Br)C(=O)N1C","InChI=1S/C12H11BrN2O/c1-8-14-11(12(16)15(8)2)7-9-4-3-5-10(13)6-9/h3-7H,1-2H3/b11-7-","","2014-05-05","2014-06-13","(5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one","2014-06-18"],["IEB","2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine","C18 H18 N6 O","Cn1cc(nc1COc1nc(C)nc2c1ncn2C)c1ccccc1;Cn1cc(nc1COc2nc(C)nc3n(C)cnc23)c4ccccc4;Cc1nc2c(c(n1)OCc3nc(cn3C)c4ccccc4)ncn2C","InChI=1S/C18H18N6O/c1-12-20-17-16(19-11-24(17)3)18(21-12)25-10-15-22-14(9-23(15)2)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3","","2022-01-25","2022-10-07","2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine","2022-10-12"],["300","2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE","C8 H9 O6 P","O=Cc1cccc(OC)c1OP(=O)(O)O;COc1cccc(C=O)c1O[P](O)(O)=O;COc1cccc(c1OP(=O)(O)O)C=O","InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)","RU78300","2003-06-20","2024-09-27","2-formyl-6-methoxyphenyl dihydrogen phosphate",""],["IEC","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol","C21 H24 O6 S","COc1ccc(cc1)C(=C)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2;COc1ccc(cc1)C(=C)c2ccc(cc2)SC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C21H24O6S/c1-12(13-3-7-15(26-2)8-4-13)14-5-9-16(10-6-14)28-21-20(25)19(24)18(23)17(11-22)27-21/h3-10,17-25H,1,11H2,2H3/t17-,18+,19+,20-,21+/m1/s1","Biaryl-thiogalactoside","2022-03-11","2023-01-13","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol","2023-01-18"],["IED","5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione","C20 H17 F3 N4 O2 S","CC1(C)N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4;CC1(C(=O)N(C(=O)N1Cc2ccnc3c2cc[nH]3)c4ccc(cc4)SC(F)(F)F)C","InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-3-5-14(6-4-13)30-20(21,22)23)18(29)26(19)11-12-7-9-24-16-15(12)8-10-25-16/h3-10H,11H2,1-2H3,(H,24,25)","","2023-07-28","2023-09-15","5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione","2023-09-20"],["301","N6-(penta-2,3-dienyl)adenine","C10 H11 N5","n1c(N=CCC=C/C)c2ncnc2nc1;CC=CCC=Nc1ncnc2[nH]cnc12;CC=CCC=Nc1c2c([nH]cn2)ncn1","InChI=1S/C10H11N5/c1-2-3-4-5-11-9-8-10(13-6-12-8)15-7-14-9/h2-3,5-7H,4H2,1H3,(H,12,13,14,15)/b3-2-,11-5+","N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine","2008-01-14","2021-03-13","N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine",""],["302","4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID","C15 H14 N4 O6","O=C2NC(C=NOCCON=Cc1ccc(C(=O)O)cc1)=CC(=O)N2;OC(=O)c1ccc(cc1)C=NOCCON=CC2=CC(=O)NC(=O)N2;c1cc(ccc1C=NOCCON=CC2=CC(=O)NC(=O)N2)C(=O)O","InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-6-5-24-16-8-10-1-3-11(4-2-10)14(21)22/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+","","2006-08-04","2011-06-04","4-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid",""],["IEE","6-CHLORO-4-N-[(4-METHYLPHENYL)METHYL]PYRIMIDINE- 2,4-DIAMINE","C12 H13 Cl N4","Cc1ccc(CNc2cc(Cl)nc(N)n2)cc1;Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl","InChI=1S/C12H13ClN4/c1-8-2-4-9(5-3-8)7-15-11-6-10(13)16-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17)","","2015-11-13","2016-11-18","6-chloranyl-N4-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine","2016-11-23"],["IEF","propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate","C16 H32 F O2 P","FP(=O)(OC(C)C)CCCCCCCCCCCC=C;CC(C)O[P](F)(=O)CCCCCCCCCCCC=C;CC(C)OP(=O)(CCCCCCCCCCCC=C)F","InChI=1S/C16H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(17,18)19-16(2)3/h4,16H,1,5-15H2,2-3H3/t20-/m1/s1","","2014-12-11","2020-04-08","propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate","2015-03-11"],["303","6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE","C24 H26 N4 O","O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(NCC4)C(C)C;CC(C)[CH]1NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12;CC(C)C1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N","InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1","6-[N-(1-ISOPROPYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE","2003-04-09","2021-03-13","6-carbamimidoyl-N-[(1S)-1-(1-methylethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide",""],["IEH","6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","C18 H19 N9 O2","O=C(Nc1cnn(C)c1C(=O)NC)c1nc(cnc1Nc1cncnc1)C1CC1;CNC(=O)c1n(C)ncc1NC(=O)c2nc(cnc2Nc3cncnc3)C4CC4;CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)C3CC3)Nc4cncnc4","InChI=1S/C18H19N9O2/c1-19-18(29)15-13(8-23-27(15)2)26-17(28)14-16(24-11-5-20-9-21-6-11)22-7-12(25-14)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,29)(H,22,24)(H,26,28)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","2022-10-12"],["304","N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide","C17 H22 N4 O2 S","O=C(NC)c1cc(c(cc1)C)NC(=O)c2sc(nc2)NC(CC)C;CC[CH](C)Nc1sc(cn1)C(=O)Nc2cc(ccc2C)C(=O)NC;CCC(C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC","InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1","","2008-02-01","2011-06-04","N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide",""],["IEI","(2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C53 H62 Br F N8 O6 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCCN5CCC(CC5)c6ccc7N8c9cccc(Br)c9C(=O)N=C8N(C%10CCCC%10)c7c6)c2;Cc1c(scn1)c2ccc(c(c2)OCCCN3CCC(CC3)c4ccc5c(c4)N(C6=NC(=O)c7c(cccc7Br)N56)C8CCCC8)CNC(=O)C9CC(CN9C(=O)C(C(C)(C)C)NC(=O)C1(CC1)F)O","InChI=1S/C53H62BrFN8O6S/c1-31-45(70-30-57-31)34-13-14-35(28-56-47(65)42-27-37(64)29-61(42)49(67)46(52(2,3)4)58-50(68)53(55)19-20-53)43(26-34)69-24-8-21-60-22-17-32(18-23-60)33-15-16-39-41(25-33)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-12-40(44)63(39)51/h7,11-16,25-26,30,32,36-37,42,46,64H,5-6,8-10,17-24,27-29H2,1-4H3,(H,56,65)(H,58,68)/t37-,42+,46-/m1/s1","(2S,4R)-N-(2-(3-(4-(4-bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9- yl)piperidin-1-yl)propoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1- carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide","2022-03-14","2022-09-02","(2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2022-09-07"],["306","3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE","C26 H25 N5 O","O=C2Nc6ccc(c1cnnc1)cc6C=C2c4cc3cc(ccc3n4)CN5CCCCC5;O=C1Nc2ccc(cc2C=C1c3[nH]c4ccc(CN5CCCCC5)cc4c3)c6c[nH]nc6;c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6","InChI=1S/C26H25N5O/c32-26-22(12-20-11-18(5-7-24(20)30-26)21-14-27-28-15-21)25-13-19-10-17(4-6-23(19)29-25)16-31-8-2-1-3-9-31/h4-7,10-15,29H,1-3,8-9,16H2,(H,27,28)(H,30,32)","","2006-08-07","2011-06-04","3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one",""],["IEJ","O-TOLUENESULFONAMIDE","C7 H9 N O2 S","O=S(=O)(N)c1ccccc1C;Cc1ccccc1[S](N)(=O)=O;Cc1ccccc1S(=O)(=O)N","InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)","","2014-11-14","2014-12-19","2-methylbenzenesulfonamide","2014-12-24"],["307","6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-4H-CHROMEN-4-ONE","C32 H32 F3 N3 O2","FC(F)(F)c1cc(ccc1)n3c2ccccc2c(c3)CN(C)CCN(C)CC=4C(=O)c5c(OC=4)cc(c(c5)C)C;CN(CCN(C)Cc1cn(c2cccc(c2)C(F)(F)F)c3ccccc13)CC4=COc5cc(C)c(C)cc5C4=O;Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F","InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3","","2005-09-15","2011-06-04","6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4H-chromen-4-one",""],["IEK","(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid","C16 H14 N6 O4","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccccc3)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)/t9-/m0/s1","(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine","2022-06-28","2022-12-16","(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid","2022-12-21"],["308","(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine","C10 H17 N","NC12CC3CC(C1)CC(C2)C3;NC12CC3CC(CC(C3)C1)C2;C1C2CC3CC1CC(C2)(C3)N","InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10-","Amantadine","2008-02-21","2020-06-17","(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine",""],["IEL","N~6~-[(1Z)-ethanimidoyl]-L-lysine","C8 H17 N3 O2","O=C(O)C(N)CCCCNC(=[N@H])C;CC(=N)NCCCC[CH](N)C(O)=O;[H]N=C(C)NCCCCC(C(=O)O)N","InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1","","2008-06-26","2011-06-04","N~6~-[(1Z)-ethanimidoyl]-L-lysine",""],["30A","6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID","C14 H10 Cl N3 O3","O=C(O)c3cnn1c3nc(Cl)c(c1O)Cc2ccccc2;OC(=O)c1cnn2c(O)c(Cc3ccccc3)c(Cl)nc12;c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl","InChI=1S/C14H10ClN3O3/c15-11-9(6-8-4-2-1-3-5-8)13(19)18-12(17-11)10(7-16-18)14(20)21/h1-5,7,19H,6H2,(H,20,21)","","2011-03-16","2011-08-19","6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid",""],["IEM","2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid","C12 H19 N O6","C(C1=CC(C(C(OCC(C)C)O1)NC(C)=O)O)(=O)O;CC(C)CO[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C)COC1C(C(C=C(O1)C(=O)O)O)NC(=O)C","InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10+,12+/m0/s1","5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID; ISOBUTYL ETHER MIMETIC; 2-methylpropyl\n2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid; 2-methylpropyl\n2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid; 2-methylpropyl 2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic\nacid","2005-11-28","2020-07-17","2-methylpropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid",""],["30B","(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide","C38 H47 N5 O7 S2","COc1ccc2c(O[CH]3C[CH]4[CH](C3)C(=O)N(C)CCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)cc(nc2c1C)c7scc(n7)C(C)C;Cc1c(ccc2c1nc(cc2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC","InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1","","2009-11-06","2011-06-04","",""],["30E","(3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid","C21 H28 N4 O5","O=C(O)C3CCN(c2nc(c1cc(OC)c(OC)c(OC)c1)cnc2N)CC3CC;CC[CH]1CN(CC[CH]1C(O)=O)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3;CCC1CN(CCC1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N","InChI=1S/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14+/m0/s1","","2010-07-07","2011-06-04","(3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid",""],["IEN","6-cyclopropyl-N-[1-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C21 H18 N8 O","O=C(Nc1ccnn1c1ncccc1)c1nc(ccc1Nc1cncnc1)C1CC1;O=C(Nc1ccnn1c2ccccn2)c3nc(ccc3Nc4cncnc4)C5CC5;c1ccnc(c1)n2c(ccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C21H18N8O/c30-21(28-19-8-10-25-29(19)18-3-1-2-9-24-18)20-17(26-15-11-22-13-23-12-15)7-6-16(27-20)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,30)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[1-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["IEO","3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide","C15 H16 N4 O2","O=C(N)c2ccc(OC1CCNCC1)c3c2ncc3C#N;NC(=O)c1ccc(OC2CCNCC2)c3c1[nH]cc3C#N;c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3","InChI=1S/C15H16N4O2/c16-7-9-8-19-14-11(15(17)20)1-2-12(13(9)14)21-10-3-5-18-6-4-10/h1-2,8,10,18-19H,3-6H2,(H2,17,20)","","2013-04-10","2014-09-05","3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide","2013-07-03"],["30F","(2Z)-2-amino-3-selanylprop-2-enoic acid","C3 H5 N O2 Se","O=C(O)/C(N)=C/[SeH];NC(=C[SeH])C(O)=O;C(=C(C(=O)O)N)[SeH]","InChI=1S/C3H5NO2Se/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-","","2014-05-06","2024-09-27","(2Z)-2-amino-3-selanylprop-2-enoic acid","2015-03-04"],["30G","3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","C10 H9 N3 O2","O=C3NN=C1N(c2c(OC1)cccc2)C3;O=C1CN2C(=NN1)COc3ccccc23;c1ccc2c(c1)N3CC(=O)NN=C3CO2","InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)","","2014-05-07","2014-06-27","3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","2014-07-02"],["IEP","[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate","C47 H85 O19 P3","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17+,24-22+,30-28+/t39-,42+,43-,44-,45+,46-,47-/m0/s1","","2018-04-19","2018-12-28","[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate","2019-01-02"],["30H","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(pyridin-3-ylmethyl)-D-alaninamide","C16 H18 F N3 O4 S","Fc1c(cc(cc1)S(=O)(=O)N(Cc2cccnc2)C(C(=O)NO)C)C;C[CH](N(Cc1cccnc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)C(C)C(=O)NO","InChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1","","2014-05-15","2014-11-07","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(pyridin-3-ylmethyl)-D-alaninamide","2014-11-12"],["IEQ","~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide","C24 H23 N3 O3","CC(C)c1cc(Oc2ccccc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34;Cc1cc(c(cc1Oc2ccccc2)C(C)C)NC(=O)c3c4ccccn4nc3O","InChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)","","2022-03-14","2022-10-07","~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide","2022-10-12"],["30I","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide","C17 H23 N9 O2","COc1ncc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N;COc1ncc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3","InChI=1S/C17H23N9O2/c1-28-17-21-8-10(9-22-17)11-14(26-6-4-2-3-5-7-26)24-13(18)12(23-11)15(27)25-16(19)20/h8-9H,2-7H2,1H3,(H2,18,24)(H4,19,20,25,27)","","2018-02-16","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide","2018-12-19"],["IER","3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol","C28 H26 F N5 O2","CCOc1cc(nc2c(F)c(ccc12)c3nc([CH]4C[C](C)(O)C4)n5ccnc(N)c35)c6ccccc6;CCOc1cc(nc2c1ccc(c2F)c3c4c(nccn4c(n3)C5CC(C5)(C)O)N)c6ccccc6","InChI=1S/C28H26FN5O2/c1-3-36-21-13-20(16-7-5-4-6-8-16)32-23-18(21)9-10-19(22(23)29)24-25-26(30)31-11-12-34(25)27(33-24)17-14-28(2,35)15-17/h4-13,17,35H,3,14-15H2,1-2H3,(H2,30,31)/t17-,28+","A156","2023-07-28","2023-09-15","3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol","2023-09-20"],["IES","propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate","C30 H40 N4 O6","O=C(NO)CCCCCCC(=O)Nc3ccc(c1ccc2c(c1)C(NC(=O)OC(C)C)CC(N2C(=O)C)C)cc3;CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3ccc(NC(=O)CCCCCCC(=O)NO)cc3;CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C","InChI=1S/C30H40N4O6/c1-19(2)40-30(38)32-26-17-20(3)34(21(4)35)27-16-13-23(18-25(26)27)22-11-14-24(15-12-22)31-28(36)9-7-5-6-8-10-29(37)33-39/h11-16,18-20,26,39H,5-10,17H2,1-4H3,(H,31,36)(H,32,38)(H,33,37)/t20-,26+/m0/s1","","2014-01-13","2014-12-19","propan-2-yl [(2S,4R)-1-acetyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate","2014-12-24"],["30J","6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile","C26 H23 Cl N6","Clc1cc4c(cc1)c(nnc4N3CC(N(c2ncc(C#N)cc2)CC3)C)Cc5ccccc5;C[CH]1CN(CCN1c2ccc(cn2)C#N)c3nnc(Cc4ccccc4)c5ccc(Cl)cc35;CC1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl","InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1","","2014-05-12","2014-05-16","6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile","2014-05-21"],["30K","(3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one","C30 H31 N5 O2","O=C6C(=C(/c1ccccc1)c3nc2cc(OC)ccc2n3)/c5cc(NC4CCN(CC)CC4)ccc5N6;CCN1CCC(CC1)Nc2ccc3NC(=O)C(c3c2)=C(c4[nH]c5ccc(OC)cc5n4)c6ccccc6;CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccc(cc6n5)OC)C(=O)N3","InChI=1S/C30H31N5O2/c1-3-35-15-13-20(14-16-35)31-21-9-11-24-23(17-21)28(30(36)34-24)27(19-7-5-4-6-8-19)29-32-25-12-10-22(37-2)18-26(25)33-29/h4-12,17-18,20,31H,3,13-16H2,1-2H3,(H,32,33)(H,34,36)/b28-27-","","2012-05-31","2014-09-05","(3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["IET","1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA","C16 H12 Cl2 N4 S","Clc1cccc(Cl)c1CC(=[N@H])NC(=S)Nc2ccc(C#N)cc2;Clc1cccc(Cl)c1CC(=N)NC(=S)Nc2ccc(cc2)C#N;c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl","InChI=1S/C16H12Cl2N4S/c17-13-2-1-3-14(18)12(13)8-15(20)22-16(23)21-11-6-4-10(9-19)5-7-11/h1-7H,8H2,(H3,20,21,22,23)","","2001-12-03","2011-06-04","N-[(4-cyanophenyl)carbamothioyl]-2-(2,6-dichlorophenyl)ethanimidamide",""],["IEU","6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline","C23 H22 Cl N5 O2","Cn1cc(nc1COc1nc(N2CCOCC2)c2cc(Cl)ccc2n1)c1ccccc1;Cn1cc(nc1COc2nc3ccc(Cl)cc3c(n2)N4CCOCC4)c5ccccc5;Cn1cc(nc1COc2nc3ccc(cc3c(n2)N4CCOCC4)Cl)c5ccccc5","InChI=1S/C23H22ClN5O2/c1-28-14-20(16-5-3-2-4-6-16)25-21(28)15-31-23-26-19-8-7-17(24)13-18(19)22(27-23)29-9-11-30-12-10-29/h2-8,13-14H,9-12,15H2,1H3","","2022-01-25","2024-11-07","6-chloro-2-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)quinazoline","2022-10-12"],["30L","{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid","C16 H13 F N2 O6","[O-][N+](=O)c1cccc(c1)CNC(=O)c2ccc(F)cc2OCC(=O)O;OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F","InChI=1S/C16H13FN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)","","2014-05-12","2015-07-17","{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid","2015-07-22"],["IEV","(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide","C21 H25 N O6 S2","OC[CH]1O[CH](Sc2ccc(NC(=O)[CH](S)Cc3ccccc3)cc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)SC3C(C(C(C(O3)CO)O)O)O)S","InChI=1S/C21H25NO6S2/c23-11-15-17(24)18(25)19(26)21(28-15)30-14-8-6-13(7-9-14)22-20(27)16(29)10-12-4-2-1-3-5-12/h1-9,15-19,21,23-26,29H,10-11H2,(H,22,27)/t15-,16-,17+,18+,19-,21+/m1/s1","","2022-03-14","2023-09-15","(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide","2023-09-20"],["30M","N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide","C17 H21 N3 O2","O=C3c2c1c(cccc1)n(c2CCN3)CCCCNC(=O)C;CC(=O)NCCCCn1c2CCNC(=O)c2c3ccccc13;CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O","InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)","","2014-05-13","2015-04-17","N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide","2015-04-22"],["30N","(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)","C21 H36 N7 O18 P3 S","O=S(O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCC[S](O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS(=O)O)O","InChI=1S/C21H36N7O18P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-50(40)41)8-43-49(38,39)46-48(36,37)42-7-11-15(45-47(33,34)35)14(30)20(44-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H,40,41)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1","","2014-05-13","2014-10-17","(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)","2014-10-22"],["IEW","(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid","C16 H14 N6 O4","NC1=Nc2nc(cnc2C(=O)N1)C(=O)NC(Cc3ccccc3)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)","(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-phenylalanine","2022-06-28","2022-12-16","(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid","2022-12-21"],["30O","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide","C17 H18 F N3 O6 S","Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccc([N+]([O-])=O)cc2)C;C[CH](N(Cc1ccc(cc1)[N+]([O-])=O)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])C(C)C(=O)NO","InChI=1S/C17H18FN3O6S/c1-11-9-15(7-8-16(11)18)28(26,27)20(12(2)17(22)19-23)10-13-3-5-14(6-4-13)21(24)25/h3-9,12,23H,10H2,1-2H3,(H,19,22)/t12-/m1/s1","","2014-05-15","2014-11-07","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide","2014-11-12"],["IEX","2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline","C26 H22 N4","Cc1nc2ccccc2nc1CCc1nc(cn1c1ccccc1)c1ccccc1;Cc1nc2ccccc2nc1CCc3nc(cn3c4ccccc4)c5ccccc5;Cc1c(nc2ccccc2n1)CCc3nc(cn3c4ccccc4)c5ccccc5","InChI=1S/C26H22N4/c1-19-22(28-24-15-9-8-14-23(24)27-19)16-17-26-29-25(20-10-4-2-5-11-20)18-30(26)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3","","2022-01-25","2022-10-07","2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline","2022-10-12"],["30P","N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","C17 H20 F N3 O4 S","Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2cccc(N)c2)C;C[CH](N(Cc1cccc(N)c1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)C(C)C(=O)NO","InChI=1S/C17H20FN3O4S/c1-11-8-15(6-7-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-4-3-5-14(19)9-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1","","2014-05-15","2014-11-07","N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","2014-11-12"],["IEY","{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid","C17 H16 N4 O4","O=C(O)Cn2c(O)c(nc2C=Cc1ncnc1)Cc3ccc(O)cc3;OC(=O)CN1C(=O)[CH](Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3;c1cc(ccc1CC2C(=O)N(C(=N2)C=Cc3c[nH]cn3)CC(=O)O)O","InChI=1S/C17H16N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-6,8,10,14,22H,7,9H2,(H,18,19)(H,23,24)/b6-3+/t14-/m0/s1","CHROMOPHORE (HIS-TYR-GLY)","2005-06-01","2024-09-27","{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid",""],["IEZ","(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid","C16 H13 F N6 O4","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(F)cc3)C(O)=O;c1cc(ccc1CC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N)F","InChI=1S/C16H13FN6O4/c17-8-3-1-7(2-4-8)5-9(15(26)27)21-13(24)10-6-19-11-12(20-10)22-16(18)23-14(11)25/h1-4,6,9H,5H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t9-/m0/s1","(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-(4-fluorophenyl)propanoic acid","2022-06-28","2022-12-16","(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid","2022-12-21"],["30Q","S-[2-(propanoylamino)ethyl] (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)","C27 H39 N O3 S","O=C(SCCNC(=O)CC)C(C3CCC4C2CCC1=CC(=O)C=CC1(C2CCC34C)C)C;CCC(=O)NCCSC(=O)[CH](C)[CH]1CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C;CCC(=O)NCCSC(=O)C(C)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C","InChI=1S/C27H39NO3S/c1-5-24(30)28-14-15-32-25(31)17(2)21-8-9-22-20-7-6-18-16-19(29)10-12-26(18,3)23(20)11-13-27(21,22)4/h10,12,16-17,20-23H,5-9,11,13-15H2,1-4H3,(H,28,30)/t17-,20-,21+,22-,23-,26-,27+/m0/s1","","2014-05-14","2014-07-25","S-[2-(propanoylamino)ethyl] (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)","2014-07-30"],["IF1","(1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid","C17 H18 F5 N2 O7 P","C(C2CC(N=[C@H]c1c(c(ncc1COP(=O)(O)O)C)O)C(C2)C(/C(F)(F)F)=C(/F)F)(O)=O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]2C[CH](C[CH]2C(=C(F)F)C(F)(F)F)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2CC(CC2C(=C(F)F)C(F)(F)F)C(=O)O)O","InChI=1S/C17H18F5N2O7P/c1-7-14(25)11(9(4-23-7)6-31-32(28,29)30)5-24-12-3-8(16(26)27)2-10(12)13(15(18)19)17(20,21)22/h4-5,8,10,12,25H,2-3,6H2,1H3,(H,26,27)(H2,28,29,30)/b24-5+/t8-,10+,12-/m0/s1","","2020-08-27","2021-01-01","(1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid","2021-01-06"],["30R","N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","C18 H22 F N3 O4 S","Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccc(cc2)CN)C;C[CH](N(Cc1ccc(CN)cc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)C(C)C(=O)NO","InChI=1S/C18H22FN3O4S/c1-12-9-16(7-8-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-14(10-20)4-6-15/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23)/t13-/m1/s1","","2014-05-15","2014-11-07","N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","2014-11-12"],["30S","2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid","C15 H14 N4 O4 S","O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3;Nc1nc(N)c2c(OCc3ccccc3[S](O)(=O)=O)cccc2n1;c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O","InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)","","2014-05-14","2024-09-27","2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid","2015-05-13"],["IF2","2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline","C18 H22 N6","Cn1nc(nc1CCc1nc2ccccc2nc1C)N1CCCC1;Cn1nc(nc1CCc2nc3ccccc3nc2C)N4CCCC4;Cc1c(nc2ccccc2n1)CCc3nc(nn3C)N4CCCC4","InChI=1S/C18H22N6/c1-13-14(20-16-8-4-3-7-15(16)19-13)9-10-17-21-18(22-23(17)2)24-11-5-6-12-24/h3-4,7-8H,5-6,9-12H2,1-2H3","","2022-01-25","2022-10-07","2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline","2022-10-12"],["30T","trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol","C26 H27 N5 O3 S","O=S(=O)(c1ccccc1)c3cc(nc(NC2CCC(O)CC2)c3)Nc4nnc(c4)c5ccccc5;O[CH]1CC[CH](CC1)Nc2cc(cc(Nc3cc([nH]n3)c4ccccc4)n2)[S](=O)(=O)c5ccccc5;c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5","InChI=1S/C26H27N5O3S/c32-20-13-11-19(12-14-20)27-24-15-22(35(33,34)21-9-5-2-6-10-21)16-25(28-24)29-26-17-23(30-31-26)18-7-3-1-4-8-18/h1-10,15-17,19-20,32H,11-14H2,(H3,27,28,29,30,31)/t19-,20-","","2014-05-14","2015-01-09","trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol","2015-01-14"],["IF3","~{N}2,~{N}6,9-trimethylpurine-2,6-diamine","C8 H12 N6","CNc1nc(NC)c2ncn(C)c2n1;CNc1c2c(nc(n1)NC)n(cn2)C","InChI=1S/C8H12N6/c1-9-6-5-7(14(3)4-11-5)13-8(10-2)12-6/h4H,1-3H3,(H2,9,10,12,13)","","2022-03-16","2022-08-22","~{N}2,~{N}6,9-trimethylpurine-2,6-diamine","2022-03-23"],["IF4","(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid","C15 H12 N6 O4","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](C(O)=O)c3ccccc3;c1ccc(cc1)C(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1","(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid","2022-06-28","2022-12-16","(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid","2022-12-21"],["30U","4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid","C15 H14 N4 O4 S","O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3;Nc1nc(N)c2c(OCc3ccc(cc3)[S](O)(=O)=O)cccc2n1;c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N","InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)","","2014-05-15","2024-09-27","4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid","2015-05-20"],["30V","S-[(2-carbamoylphenyl)selanyl]-L-cysteine","C10 H12 N2 O3 S Se","O=C(O)C(N)CS[Se]c1ccccc1C(=O)N;N[CH](CS[Se]c1ccccc1C(N)=O)C(O)=O;c1ccc(c(c1)C(=O)N)[Se]SCC(C(=O)O)N","InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1","","2014-05-15","2024-09-27","S-[(2-carbamoylphenyl)selanyl]-L-cysteine","2014-07-08"],["IF5","6-cyclopropyl-N-(1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H19 N7 O","O=C(Nc1ccnn1c1ccccc1)c1nc(ccc1Nc1cncnc1)C1CC1;O=C(Nc1ccnn1c2ccccc2)c3nc(ccc3Nc4cncnc4)C5CC5;c1ccc(cc1)n2c(ccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C22H19N7O/c30-22(28-20-10-11-25-29(20)17-4-2-1-3-5-17)21-19(26-16-12-23-14-24-13-16)9-8-18(27-21)15-6-7-15/h1-5,8-15,26H,6-7H2,(H,28,30)","","2022-01-25","2022-10-07","6-cyclopropyl-N-(1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["30W","N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide","C9 H7 N5 O3","O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C;CC(=O)NC1=Nc2ncc(C=O)nc2C(=O)N1;CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1","InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)","Acetyl 6-formylpterin","2014-05-16","2024-09-27","N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide","2014-07-02"],["IF6","(1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-","C15 H29 N4 O6","O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O;[H].C(CCCCN=[N+]=[N-])CCCNC1C(C(C(C(C1O)O)O)O)C(=O)O","InChI=1S/C15H28N4O6.H2/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21;/h9-14,17,20-23H,1-8H2,(H,24,25);1H/t9-,10+,11+,12-,13-,14-;/m0./s1","","2016-03-22","2025-12-15","(1S,2R,3S,4S,5S,6R)-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; hydrogen","2017-04-12"],["30X","N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide","C15 H15 F6 N3 O","O=C(N(C)C)C(N(c1cc(c(C#N)cc1)C(F)(F)F)CC(F)(F)F)C;C[CH](N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C;CC(C(=O)N(C)C)N(CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N","InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3/t9-/m0/s1","","2009-02-13","2011-06-04","N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide",""],["IF7","(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one","C6 H11 N O4","OC[CH]1CNC(=O)[CH](O)[CH]1O;C1C(C(C(C(=O)N1)O)O)CO","InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1","ISO-GALACTO-FAGOMINE LACTAM","2015-03-17","2020-06-17","(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one","2015-03-25"],["30Y","(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide","C17 H11 Cl F3 N3 O S","Clc2ccccc2NC(=S)C(C#N)C(=O)Nc1cc(ccc1)C(F)(F)F;FC(F)(F)c1cccc(NC(=O)[CH](C#N)C(=S)Nc2ccccc2Cl)c1;c1ccc(c(c1)NC(=S)C(C#N)C(=O)Nc2cccc(c2)C(F)(F)F)Cl","InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)/t12-/m1/s1","","2014-05-16","2024-05-17","(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide","2024-05-22"],["IF8","4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one","C24 H25 Br N4 O","Brc1cccc2N3C(=NC(=O)c12)N(C4CCCC4)c5cc(ccc35)C6CCNCC6;c1cc2c(c(c1)Br)C(=O)N=C3N2c4ccc(cc4N3C5CCCC5)C6CCNCC6","InChI=1S/C24H25BrN4O/c25-18-6-3-7-20-22(18)23(30)27-24-28(17-4-1-2-5-17)21-14-16(8-9-19(21)29(20)24)15-10-12-26-13-11-15/h3,6-9,14-15,17,26H,1-2,4-5,10-13H2","","2022-03-16","2022-09-09","4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one","2022-09-14"],["30Z","4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL","C18 H22 O4","Oc1ccc(cc1O)CC(C)C(C)Cc2ccc(O)c(O)c2;C[CH](Cc1ccc(O)c(O)c1)[CH](C)Cc2ccc(O)c(O)c2;CC(Cc1ccc(c(c1)O)O)C(C)Cc2ccc(c(c2)O)O","InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1","","2011-06-10","2014-09-05","4,4'-[(2S,3S)-2,3-dimethylbutane-1,4-diyl]dibenzene-1,2-diol",""],["IF9","[[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate","C11 H16 F N5 O9 P2 S","C[C]1(F)[CH](O)[CH](CO[P](S)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;CC1(C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(OP(=O)(O)O)S)O)F","InChI=1S/C11H16FN5O9P2S/c1-11(12)6(18)4(2-24-28(23,29)26-27(20,21)22)25-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,29)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-,28+/m1/s1","","2023-07-28","2023-12-22","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate","2023-12-27"],["310","N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide","C27 H23 Cl N4 O3","O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1Cl)c4ccc(Oc3ccc(C(=O)C)cc3)cc4;CC(=O)c1ccc(Oc2ccc(cc2)c3ccc(n3CC(=O)NC(N)=N)c4ccccc4Cl)cc1;[H]N=C(N)NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C","InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34)","","2008-01-24","2011-06-04","2-{2-[4-(4-acetylphenoxy)phenyl]-5-(2-chlorophenyl)-1H-pyrrol-1-yl}-N-carbamimidoylacetamide",""],["IFA","METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE","C17 H14 F2 I N O4","Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)OC)c2O;COC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F;COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F","InChI=1S/C17H14F2INO4/c1-25-15(22)4-5-21-17(24)12-6-9(7-14(20)16(12)23)11-3-2-10(18)8-13(11)19/h2-3,6-8,23H,4-5H2,1H3,(H,21,24)","","2007-05-09","2011-06-04","methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate",""],["311","(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone","C20 H23 F N2 O","O=C(c2nc(c1ccc(c(F)c1)C)ccc2)N3CCCC(C)(C3)C;Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C)(C)C3;Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C","InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3","","2008-04-02","2011-06-04","2-[(3,3-dimethylpiperidin-1-yl)carbonyl]-6-(3-fluoro-4-methylphenyl)pyridine",""],["IFB","N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE","C16 H12 F2 I N O4","Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)O)c2O;OC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F;c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O","InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22)","","2007-05-09","2011-06-04","N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine",""],["IFC","N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide","C23 H18 F3 N5 O3","O=C(Nc3cc(NC(=O)c2cc(n1cc(nc1)C)cc(c2)C(F)(F)F)ccc3C)c4oncc4;Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc(C)c(NC(=O)c4oncc4)c3;Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F","InChI=1S/C23H18F3N5O3/c1-13-3-4-17(10-19(13)30-22(33)20-5-6-28-34-20)29-21(32)15-7-16(23(24,25)26)9-18(8-15)31-11-14(2)27-12-31/h3-12H,1-2H3,(H,29,32)(H,30,33)","N-(2-methyl-5-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamido)phenyl)isoxazole-5-carboxamide","2008-08-01","2021-03-01","N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide",""],["312","2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE","C25 H20 N4 O6","[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3OC)c4;COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(N)=[NH2+])[CH](CC([O-])=O)C([O-])=O;COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)C(CC(=O)[O-])C(=O)[O-]","InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1","CRA_17312","2003-03-14","2020-06-17","(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-methoxy-6-oxidobiphenyl-3-yl)butanedioate",""],["313","(dimethyl-lambda~4~-sulfanyl)acetic acid","C4 H10 O2 S","O=C(O)CS(C)C;C[SH](C)CC(O)=O;CS(C)CC(=O)O","InChI=1S/C4H10O2S/c1-7(2)3-4(5)6/h7H,3H2,1-2H3,(H,5,6)","","2008-04-02","2011-06-04","(dimethyl-lambda~4~-sulfanyl)acetic acid",""],["IFE","(4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine","C15 H16 Cl N7","Cn1nc(nc1/C=C/c1nc2ccc(Cl)cn2n1)N1CCCC1;Cn1nc(nc1C=Cc2nn3cc(Cl)ccc3n2)N4CCCC4;Cn1c(nc(n1)N2CCCC2)C=Cc3nc4ccc(cn4n3)Cl","InChI=1S/C15H16ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)7-5-12-17-14-6-4-11(16)10-23(14)19-12/h4-7,10H,2-3,8-9H2,1H3","","2022-01-25","2022-10-07","(4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine","2022-10-12"],["IFF","(2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C53 H62 Br F N8 O5 S","Cc1ncsc1c2ccc(cc2)[CH](CCCN3CCC(CC3)c4ccc5N6c7cccc(Br)c7C(=O)N=C6N(C8CCCC8)c5c4)NC(=O)[CH]9C[CH](O)CN9C(=O)[CH](NC(=O)C%10(F)CC%10)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)C(CCCN3CCC(CC3)c4ccc5c(c4)N(C6=NC(=O)c7c(cccc7Br)N56)C8CCCC8)NC(=O)C9CC(CN9C(=O)C(C(C)(C)C)NC(=O)C1(CC1)F)O","InChI=1S/C53H62BrFN8O5S/c1-31-45(69-30-56-31)34-16-14-33(15-17-34)39(57-47(65)43-28-37(64)29-61(43)49(67)46(52(2,3)4)58-50(68)53(55)22-23-53)12-8-24-60-25-20-32(21-26-60)35-18-19-40-42(27-35)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-13-41(44)63(40)51/h7,11,13-19,27,30,32,36-37,39,43,46,64H,5-6,8-10,12,20-26,28-29H2,1-4H3,(H,57,65)(H,58,68)/t37-,39+,43+,46-/m1/s1","","2022-03-16","2022-09-09","(2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2022-09-14"],["314","N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide","C36 H45 F2 N3 O3","O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCCC(Cc3ccccc3)C4;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3C[CH](CCN3)Cc4ccccc4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CCN3)Cc4ccccc4)O)C","InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1","","2008-04-08","2011-06-04","N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["315","(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine","C20 H28 F2 N4 O4 S","FC4CCN(C(=O)C(N)C(C2ONC(c1c(F)cc(cc1)S(=O)(=O)C)N2)CC3CC3)C4;C[S](=O)(=O)c1ccc([CH]2NO[CH](N2)[CH](CC3CC3)[CH](N)C(=O)N4CC[CH](F)C4)c(F)c1;CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)C(CC3CC3)C(C(=O)N4CCC(C4)F)N","InChI=1S/C20H28F2N4O4S/c1-31(28,29)13-4-5-14(16(22)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(21)10-26/h4-5,9,11-12,15,17-19,24-25H,2-3,6-8,10,23H2,1H3/t12-,15-,17-,18+,19?/m0/s1","","2008-01-30","2011-06-04","(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine",""],["IFG","(2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE","C8 H16 N2 O4","O=C(NC1NCC(CO)C(O)C1O)C;CC(=O)N[CH]1NC[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(CN1)CO)O)O","InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m1/s1","","2001-06-04","2011-06-04","N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide",""],["316","N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide","C35 H42 F2 N4 O4","O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CCN4;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3NCCN(Cc4ccccc4)C3=O;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3C(=O)N(CCN3)Cc4ccccc4)O)C","InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1","","2008-04-08","2011-06-04","N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["IFH","(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid","C15 H12 N6 O4","NC1=Nc2nc(cnc2C(=O)N1)C(=O)NC(C(O)=O)c3ccccc3;c1ccc(cc1)C(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)","(R)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid","2022-06-28","2022-12-16","(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid","2022-12-21"],["IFI","4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C19 H22 N8 O3","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cc1)N1CCOCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn4nc(nc4c3)N5CCOCC5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn4c(c3)nc(n4)N5CCOCC5","InChI=1S/C19H22N8O3/c1-24-16(14(12-20-24)18(29)25-4-2-5-25)17(28)21-13-3-6-27-15(11-13)22-19(23-27)26-7-9-30-10-8-26/h3,6,11-12H,2,4-5,7-10H2,1H3,(H,21,28)","","2022-01-25","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["317","(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine","C21 H25 Cl F N3 O3 S","F/C(=C1/CCCC1)C(N)C(c2nc(no2)c3c(Cl)cc(cc3)S(=O)(=O)C)CC4CC4;C[S](=O)(=O)c1ccc(c(Cl)c1)c2noc(n2)[CH](CC3CC3)[CH](N)C(F)=C4CCCC4;CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)C(CC3CC3)C(C(=C4CCCC4)F)N","InChI=1S/C21H25ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h8-9,11-12,16,19H,2-7,10,24H2,1H3/t16-,19-/m0/s1","","2008-01-30","2011-06-04","(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine",""],["318","N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide","C34 H40 F2 N4 O4","O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CN4)C;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3NCN(Cc4ccccc4)C3=O;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3C(=O)N(CN3)Cc4ccccc4)O)C","InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1","","2008-04-08","2011-06-04","N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["IFJ","(2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C56 H70 Br N9 O6 S","C[CH](CN1CCC(CC1)c2ccc3N4c5cccc(Br)c5C(=O)N=C4N(C6CCCC6)c3c2)OC[CH](NC(=O)[CH]7C[CH](O)CN7C(=O)[CH](NC(=O)C8(CC8)N(C)C)C(C)(C)C)c9ccc(cc9)c%10scnc%10C;Cc1c(scn1)c2ccc(cc2)C(COC(C)CN3CCC(CC3)c4ccc5c(c4)N(C6=NC(=O)c7c(cccc7Br)N56)C8CCCC8)NC(=O)C9CC(CN9C(=O)C(C(C)(C)C)NC(=O)C1(CC1)N(C)C)O","InChI=1S/C56H70BrN9O6S/c1-33(29-63-25-21-35(22-26-63)38-19-20-43-45(27-38)65(39-11-8-9-12-39)54-61-51(69)47-41(57)13-10-14-44(47)66(43)54)72-31-42(36-15-17-37(18-16-36)48-34(2)58-32-73-48)59-50(68)46-28-40(67)30-64(46)52(70)49(55(3,4)5)60-53(71)56(23-24-56)62(6)7/h10,13-20,27,32-33,35,39-40,42,46,49,67H,8-9,11-12,21-26,28-31H2,1-7H3,(H,59,68)(H,60,71)/t33-,40-,42+,46+,49-/m1/s1","","2022-03-16","2022-09-09","(2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2022-09-14"],["IFK","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C29 H48 O3","C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(CCCC(C)(C)O)C1CCCCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C29H48O3/c1-20(10-8-16-28(3,4)32)24-12-6-7-13-25-23(11-9-17-29(24,25)5)15-14-22-18-26(30)21(2)27(31)19-22/h14-15,20,24-27,30-32H,2,6-13,16-19H2,1,3-5H3/b23-15+/t20-,24+,25+,26-,27-,29-/m1/s1","","2023-08-01","2023-08-25","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2023-08-30"],["319","N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide","C20 H16 F2 N4 O3","Fc1ccc(cc1)CC(=O)NC(=O)Nc3ccc(Oc2ccnc(N)c2)c(F)c3;Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1;c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F","InChI=1S/C20H16F2N4O3/c21-13-3-1-12(2-4-13)9-19(27)26-20(28)25-14-5-6-17(16(22)10-14)29-15-7-8-24-18(23)11-15/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)","","2008-06-02","2011-06-04","N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide",""],["IFL","(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE","C6 H11 N O4","O=C1NCC(CO)C(O)C1O;OC[CH]1CNC(=O)[CH](O)[CH]1O;C1C(C(C(C(=O)N1)O)O)CO","InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1","ISOFAGOMINE LACTAM","2004-03-03","2020-06-17","(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one",""],["31A","N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide","C21 H25 N3 O3","O=C(c2c(OC1CCNCC1)cccc2)NC(=[N@H])Cc3cccc(OC)c3;COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1;COc1cccc(c1)CC(=N)NC(=O)c2ccccc2OC3CCNCC3","InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)","","2013-10-10","2016-01-29","N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide","2016-02-03"],["IFM","5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE","C6 H13 N O3","OC1C(CO)CNCC1O;OC[CH]1CNC[CH](O)[CH]1O;C1C(C(C(CN1)O)O)CO","InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1","Afegostat; isofagomine; (3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL","2003-02-09","2020-05-27","(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol",""],["31B","benzoyl-oxydephosphocoenzyme A","C28 H39 N7 O15 P2","O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3OC(c2nc1c(ncnc1n2)N)C(O)C3O)O)O)c4ccccc4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)c2[nH]c3ncnc(N)c3n2)[CH](O)C(=O)NCCC(=O)NCCOC(=O)c4ccccc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)c2[nH]c3c(n2)c(ncn3)N)O)O)C(C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O","InChI=1S/C28H39N7O15P2/c1-28(2,22(39)26(40)31-9-8-17(36)30-10-11-46-27(41)15-6-4-3-5-7-15)13-48-52(44,45)50-51(42,43)47-12-16-19(37)20(38)21(49-16)25-34-18-23(29)32-14-33-24(18)35-25/h3-7,14,16,19-22,37-39H,8-13H2,1-2H3,(H,30,36)(H,31,40)(H,42,43)(H,44,45)(H3,29,32,33,34,35)/t16-,19+,20+,21-,22-/m0/s1","benzoyl-OdCoA","2014-05-15","2020-06-17","(3S,5S,9R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-8-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl benzoate (non-preferred name)","2015-05-13"],["IFN","5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide","C24 H20 Br N5 O4","O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(Br)=CN(C)C1=O)c1ccccc1;CN1C=C(Br)C=C(C(=O)Nc2cc3nc([nH]c3cc2C(=O)NC4COC4)c5ccccc5)C1=O;CN1C=C(C=C(C1=O)C(=O)Nc2cc3c(cc2C(=O)NC4COC4)[nH]c(n3)c5ccccc5)Br","InChI=1S/C24H20BrN5O4/c1-30-10-14(25)7-17(24(30)33)23(32)29-18-9-20-19(8-16(18)22(31)26-15-11-34-12-15)27-21(28-20)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3,(H,26,31)(H,27,28)(H,29,32)","","2022-01-25","2022-10-07","5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide","2022-10-12"],["31D","4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid","C25 H24 N2 O4","O=C(Nc2ccccc2C(=O)Nc1ccc(C(=O)O)cc1)c3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(O)=O;CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O","InChI=1S/C25H24N2O4/c1-25(2,3)18-12-8-16(9-13-18)22(28)27-21-7-5-4-6-20(21)23(29)26-19-14-10-17(11-15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)","","2014-05-16","2015-08-07","4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid","2015-08-12"],["31E","(Z)-[(furan-2-ylmethyl)imino]methanethiol","C6 H7 N O S","SC=N/Cc1occc1;SC=NCc1occc1;c1cc(oc1)CN=CS","InChI=1S/C6H7NOS/c9-5-7-4-6-2-1-3-8-6/h1-3,5H,4H2,(H,7,9)","","2014-05-16","2016-04-29","(Z)-[(furan-2-ylmethyl)imino]methanethiol","2016-05-04"],["IFO","(3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid","C23 H24 F2 N2 O7 S","CC(C)([CH](NC=C(NC(=O)COc1ccccc1)C=O)C(=O)OCc2ccc(F)cc2F)[S](O)=O;CC(C)(C(C(=O)OCc1ccc(cc1F)F)NC=C(C=O)NC(=O)COc2ccccc2)S(=O)O","InChI=1S/C23H24F2N2O7S/c1-23(2,35(31)32)21(22(30)34-13-15-8-9-16(24)10-19(15)25)26-11-17(12-28)27-20(29)14-33-18-6-4-3-5-7-18/h3-12,21,26H,13-14H2,1-2H3,(H,27,29)(H,31,32)/b17-11-/t21-/m0/s1","penicillin derivative (open form)","2022-03-17","2024-09-27","(3~{S})-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(~{Z})-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid","2022-06-29"],["31F","4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide","C14 H11 N3 O3 S","O=S(=O)(N)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3;N[S](=O)(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18)","","2013-06-24","2014-09-05","4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzenesulfonamide","2013-10-30"],["IFP","2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE","C6 H4 F3 N3","FC(F)(F)C=1N=CC(=C)/C(=[N@H])N=1;FC(F)(F)C1=NC(=N)C(=C)C=N1;C=C1C=NC(=NC1=N)C(F)(F)F","InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2","4-IMINO-5-METHIDYL-2-TRIFLUOROMETHYLPYRIMIDINE","2000-11-15","2020-06-17","(4Z)-5-methylidene-2-(trifluoromethyl)pyrimidin-4(5H)-imine",""],["31G","3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid","C15 H14 N4 O4 S","O=S(=O)(O)c1cccc(c1)COc3c2c(nc(nc2N)N)ccc3;Nc1nc(N)c2c(OCc3cccc(c3)[S](O)(=O)=O)cccc2n1;c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N","InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)5-2-6-12(13)23-8-9-3-1-4-10(7-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)","","2014-05-16","2024-09-27","3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid","2015-05-20"],["IFQ","(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid","C17 H16 N6 O4","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CCc3ccccc3)C(O)=O;c1ccc(cc1)CCC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C17H16N6O4/c18-17-22-13-12(15(25)23-17)19-8-11(20-13)14(24)21-10(16(26)27)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t10-/m0/s1","(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-4-phenylbutanoic acid","2022-06-28","2022-12-16","(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid","2022-12-21"],["31H","3'-deoxy-3'-[(N-formyl-L-methionyl)amino]adenosine 5'-(dihydrogen phosphate)","C16 H24 N7 O8 P S","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3NC(=O)C(NC=O)CCSC;CSCC[CH](NC=O)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;CSCCC(C(=O)NC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O","InChI=1S/C16H24N7O8PS/c1-33-3-2-8(21-7-24)15(26)22-10-9(4-30-32(27,28)29)31-16(12(10)25)23-6-20-11-13(17)18-5-19-14(11)23/h5-10,12,16,25H,2-4H2,1H3,(H,21,24)(H,22,26)(H2,17,18,19)(H2,27,28,29)/t8-,9+,10+,12+,16+/m0/s1","","2014-05-18","2014-08-15","3'-deoxy-3'-[(N-formyl-L-methionyl)amino]adenosine 5'-(dihydrogen phosphate)","2014-08-20"],["IFR","(4R)-5,7,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","C17 H24 N8","Cn1nc(nc1CCc1nc2c(C)c(C)nc(C)n2n1)N1CCCC1;Cn1nc(nc1CCc2nn3c(C)nc(C)c(C)c3n2)N4CCCC4;Cc1c(nc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)C","InChI=1S/C17H24N8/c1-11-12(2)18-13(3)25-16(11)19-14(21-25)7-8-15-20-17(22-23(15)4)24-9-5-6-10-24/h5-10H2,1-4H3","","2022-01-25","2022-10-07","(4R)-5,7,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","2022-10-12"],["31I","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en\n-1-one","C27 H30 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C(C)C;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3C(C)C)c1OC;CC(C)C1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N","InChI=1S/C27H30N6O3/c1-16(2)24-21-8-6-5-7-19(21)15-31-33(24)23(34)10-9-18-11-17(13-22(35-3)25(18)36-4)12-20-14-30-27(29)32-26(20)28/h5-11,13-16,24H,12H2,1-4H3,(H4,28,29,30,32)/b10-9+/t24-/m0/s1","(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isopropylphthalazin-2(1H)-yl)prop-2-en-1-one","2012-04-17","2020-06-17","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["IFS","bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate","C13 H21 O3 P S","O=P(OC(C)C)(OC(C)C)c1ccccc1CS;CC(C)O[P](=O)(OC(C)C)c1ccccc1CS;CC(C)OP(=O)(c1ccccc1CS)OC(C)C","InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3","Diisopropyl 2-(sulfanylmethyl)phenylphosphonate","2009-08-18","2021-03-01","dipropan-2-yl [2-(sulfanylmethyl)phenyl]phosphonate",""],["31J","7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one","C17 H22 O6","O=C2Oc1c(c(O)c(OC)cc1C(=C2CCOCCOC)C)C;COCCOCCC1=C(C)c2cc(OC)c(O)c(C)c2OC1=O;Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O","InChI=1S/C17H22O6/c1-10-12(5-6-22-8-7-20-3)17(19)23-16-11(2)15(18)14(21-4)9-13(10)16/h9,18H,5-8H2,1-4H3","","2014-05-19","2024-09-27","7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one","2014-09-03"],["IFT","2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide","C20 H22 N4 O2","Cc1[nH]c(c(C)n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2;Cc1c([nH]c(n1)C)c2ccc(cc2)CC(=O)Nc3c4c(on3)CCCC4","InChI=1S/C20H22N4O2/c1-12-19(22-13(2)21-12)15-9-7-14(8-10-15)11-18(25)23-20-16-5-3-4-6-17(16)26-24-20/h7-10H,3-6,11H2,1-2H3,(H,21,22)(H,23,24,25)","","2022-03-17","2023-03-17","2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide","2023-03-22"],["31K","2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol","C17 H19 N O3","Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C;COc1cc(cc(C)c1O)c2ccc3N(C)CCOc3c2;Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C","InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3","","2014-05-19","2024-09-27","2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol","2014-09-03"],["IFU","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol","C28 H48 O3","C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3;CC(CCCC(C)(C)O)C1CCCCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C","InChI=1S/C28H48O3/c1-20(9-7-15-27(2,3)31)25-11-5-6-12-26-22(10-8-16-28(25,26)4)14-13-21-17-23(29)19-24(30)18-21/h13-14,20,23-26,29-31H,5-12,15-19H2,1-4H3/b22-14+/t20-,23-,24-,25+,26+,28-/m1/s1","","2023-08-01","2024-04-19","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol","2024-04-24"],["31L","3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol","C18 H21 N O3","Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C;COc1cc(cc(C)c1O)c2ccc(cc2)N3CCOCC3;Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3","InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3","","2014-05-19","2024-09-27","3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol","2014-09-03"],["IFV","(4R)-6-chloro-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyridine","C15 H18 Cl N7","Cn1nc(nc1CCc1nc2ccc(Cl)cn2n1)N1CCCC1;Cn1nc(nc1CCc2nn3cc(Cl)ccc3n2)N4CCCC4;Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc(cn4n3)Cl","InChI=1S/C15H18ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)7-5-12-17-14-6-4-11(16)10-23(14)19-12/h4,6,10H,2-3,5,7-9H2,1H3","","2022-01-25","2022-10-07","(4R)-6-chloro-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyridine","2022-10-12"],["31M","3'-deoxy-3'-[(L-methionyl-L-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)","C24 H33 N8 O8 P S","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4NC(=O)C(NC(=O)C(N)CCSC)Cc3ccccc3;CSCC[CH](N)C(=O)N[CH](Cc1ccccc1)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34;CSCCC(C(=O)NC(Cc1ccccc1)C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N","InChI=1S/C24H33N8O8PS/c1-42-8-7-14(25)22(34)30-15(9-13-5-3-2-4-6-13)23(35)31-17-16(10-39-41(36,37)38)40-24(19(17)33)32-12-29-18-20(26)27-11-28-21(18)32/h2-6,11-12,14-17,19,24,33H,7-10,25H2,1H3,(H,30,34)(H,31,35)(H2,26,27,28)(H2,36,37,38)/t14-,15-,16+,17+,19+,24+/m0/s1","","2014-05-20","2014-08-15","3'-deoxy-3'-[(L-methionyl-L-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)","2014-08-20"],["IFW","(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide","C20 H28 N6 O5","CC(C)C[CH](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1;CC(C)CC(C(=O)NCCn1cc(nn1)COc2ccccc2NC(=O)C)C(=O)NO","InChI=1S/C20H28N6O5/c1-13(2)10-16(20(29)24-30)19(28)21-8-9-26-11-15(23-25-26)12-31-18-7-5-4-6-17(18)22-14(3)27/h4-7,11,13,16,30H,8-10,12H2,1-3H3,(H,21,28)(H,22,27)(H,24,29)/t16-/m1/s1","","2022-03-17","2022-11-04","(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide","2022-11-09"],["31N","6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","C26 H28 F N5 O5","Fc2cnc1c(nc(OC)cc1)c2CC(O)C56OCC(NCc4nc3c(OCC(=O)N3)cc4)(CC5)CC6;COc1ccc2ncc(F)c(C[CH](O)C34CCC(CC3)(CO4)NCc5ccc6OCC(=O)Nc6n5)c2n1;COc1ccc2c(n1)c(c(cn2)F)CC(C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O","InChI=1S/C26H28FN5O5/c1-35-22-5-3-18-23(32-22)16(17(27)12-28-18)10-20(33)26-8-6-25(7-9-26,14-37-26)29-11-15-2-4-19-24(30-15)31-21(34)13-36-19/h2-5,12,20,29,33H,6-11,13-14H2,1H3,(H,30,31,34)/t20-,25-,26-/m0/s1","","2014-05-20","2014-09-05","6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","2014-06-18"],["IFX","2-azanyl-4-oxidanylidene-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-3H-pteridine-7-carboxamide","C16 H16 N6 O3","NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CO)Cc3ccccc3;c1ccc(cc1)CC(CO)NC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C16H16N6O3/c17-16-21-13-12(15(25)22-16)18-7-11(20-13)14(24)19-10(8-23)6-9-4-2-1-3-5-9/h1-5,7,10,23H,6,8H2,(H,19,24)(H3,17,20,21,22,25)/t10-/m0/s1","(S)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-oxo-3,4-dihydropteridine-7-carboxamide","2022-06-28","2022-12-16","2-azanyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]-3~{H}-pteridine-7-carboxamide","2022-12-21"],["31O","methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate","C22 H21 Cl N4 O3","O=C(OC)C(C)C3N=C(c1c(ccc(OC)c1)n2c(nnc23)C)c4ccc(Cl)cc4;COC(=O)[CH](C)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14;Cc1nnc2n1-c3ccc(cc3C(=NC2C(C)C(=O)OC)c4ccc(cc4)Cl)OC","InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1","","2014-05-20","2014-10-24","methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate","2014-10-29"],["IFY","2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline","C21 H20 N4","Cn1cc(nc1CCc1nc2ccccc2nc1C)c1ccccc1;Cn1cc(nc1CCc2nc3ccccc3nc2C)c4ccccc4;Cc1c(nc2ccccc2n1)CCc3nc(cn3C)c4ccccc4","InChI=1S/C21H20N4/c1-15-17(23-19-11-7-6-10-18(19)22-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3","","2022-01-25","2022-10-07","2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline","2022-10-12"],["31P","methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate","C23 H23 Cl N4 O3","O=C(OC)C(CC)C3N=C(c1c(ccc(OC)c1)n2c(nnc23)C)c4ccc(Cl)cc4;CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14)C(=O)OC;CCC(C1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC","InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1","","2014-05-20","2014-10-24","methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate","2014-10-29"],["IFZ","3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C6 H6 Br N5","CNc1ncnc2c(Br)[nH]nc12;CNc1c2c(c([nH]n2)Br)ncn1","InChI=1S/C6H6BrN5/c1-8-6-4-3(9-2-10-6)5(7)12-11-4/h2H,1H3,(H,11,12)(H,8,9,10)","","2022-03-18","2022-08-22","3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2022-03-30"],["IG0","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol","C29 H50 O3","C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH](C)[CH](O)C3;CC1C(CC(=CC=C2CCCC3(C2CCCCC3C(C)CCCC(C)(C)O)C)CC1O)O","InChI=1S/C29H50O3/c1-20(10-8-16-28(3,4)32)24-12-6-7-13-25-23(11-9-17-29(24,25)5)15-14-22-18-26(30)21(2)27(31)19-22/h14-15,20-21,24-27,30-32H,6-13,16-19H2,1-5H3/b22-14-,23-15+/t20-,21-,24+,25+,26-,27-,29-/m1/s1","","2023-08-01","2023-08-25","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol","2023-08-30"],["31Q","(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury","C10 H11 Hg N O4 S","O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1;N[CH](CS[Hg]c1ccc(cc1)C(O)=O)C(O)=O;c1cc(ccc1C(=O)O)[Hg]SCC(C(=O)O)N","InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6;4-2(1-7)3(5)6;/h2-5H,(H,8,9);2,7H,1,4H2,(H,5,6);/q;;+1/p-1/t;2-;/m.0./s1","","2014-05-22","2024-09-27","(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury","2014-07-08"],["IG1","4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide","C18 H19 N7 O2","Cn1nc(cc1NC(=O)c1c(cnn1C)C(=O)N1CCC1)c1ncccc1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc(nn3C)c4ccccn4;Cn1c(cc(n1)c2ccccn2)NC(=O)c3c(cnn3C)C(=O)N4CCC4","InChI=1S/C18H19N7O2/c1-23-15(10-14(22-23)13-6-3-4-7-19-13)21-17(26)16-12(11-20-24(16)2)18(27)25-8-5-9-25/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,26)","","2022-01-25","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["31R","3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid","C18 H14 O5","O=C(O)CCc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3;OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O;c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O","InChI=1S/C18H14O5/c19-15-10-16-14(8-12(15)6-7-17(20)21)13(9-18(22)23-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2,(H,20,21)","","2014-05-22","2014-07-11","3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid","2014-07-16"],["IG2","(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate","C6 H11 N2 O6 P","O=P(O)(O)OCC(O)C(O)c1cncn1;O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1;c1c([nH]cn1)C(C(COP(=O)(O)O)O)O","InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6-/m0/s1","","2013-09-25","2014-09-19","(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate","2014-09-24"],["31S","(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid","C23 H19 Cl O2","Clc1ccc(cc1)CCC(c3ccc(c2ccccc2)cc3)=CC(=O)O;OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)C(=CC(=O)O)CCc3ccc(cc3)Cl","InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-","PS315","2014-03-11","2020-06-17","(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid","2014-05-28"],["IG3","~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide","C26 H23 N7 O4 S3","C[S](=O)(=O)Nc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2;CS(=O)(=O)Nc1cccc(c1)c2csc(n2)NC(=O)CSC3=Nc4c(nccn4)C(=O)N3CCc5ccccc5","InChI=1S/C26H23N7O4S3/c1-40(36,37)32-19-9-5-8-18(14-19)20-15-38-25(29-20)30-21(34)16-39-26-31-23-22(27-11-12-28-23)24(35)33(26)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15,32H,10,13,16H2,1H3,(H,29,30,34)","","2022-03-18","2022-08-26","~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide","2022-08-31"],["31T","4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)ethyl]pyridazin-3(2H)-one","C21 H16 N2 O5","O=C1C(O)=CC(=NN1)CCc3c(O)cc2OC(=O)C=C(c2c3)c4ccccc4;OC1=CC(=NNC1=O)CCc2cc3c(OC(=O)C=C3c4ccccc4)cc2O;c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O","InChI=1S/C21H16N2O5/c24-17-11-19-16(15(10-20(26)28-19)12-4-2-1-3-5-12)8-13(17)6-7-14-9-18(25)21(27)23-22-14/h1-5,8-11,24H,6-7H2,(H,22,25)(H,23,27)","","2014-05-22","2014-07-11","4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)ethyl]pyridazin-3(2H)-one","2014-07-16"],["IG5","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol","C31 H52 O4","C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=CCCO)[CH](O)C3;CC(CCCC(C)(C)O)C1CCCCC2C1(CCCC2=CC=C3CC(C(=CCCO)C(C3)O)O)C","InChI=1S/C31H52O4/c1-22(10-7-17-30(2,3)35)26-13-5-6-14-27-24(11-8-18-31(26,27)4)16-15-23-20-28(33)25(12-9-19-32)29(34)21-23/h12,15-16,22,26-29,32-35H,5-11,13-14,17-21H2,1-4H3/b23-15-,24-16+,25-12+/t22-,26+,27+,28-,29-,31-/m1/s1","","2023-08-01","2024-04-19","(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol","2024-04-24"],["31U","D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C19 H29 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)C(N)CC(C)C)CCC2;CC(C)C[CH](N)C(=O)N1CCC[CH]1C(=O)NCc2ccc(cc2)C(N)=N;CC(C)CC(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)N","InChI=1S/C19H29N5O2/c1-12(2)10-15(20)19(26)24-9-3-4-16(24)18(25)23-11-13-5-7-14(8-6-13)17(21)22/h5-8,12,15-16H,3-4,9-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t15-,16+/m1/s1","","2008-05-07","2012-01-05","D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["31V","N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide","C27 H26 N8 O2","O=C(Nc2cc(nn2c1ccccc1)C3CC3)Cn6nnc(c5ccc(n4cc(nc4)C)c(OC)c5)c6;COc1cc(ccc1n2cnc(C)c2)c3cn(CC(=O)Nc4cc(nn4c5ccccc5)C6CC6)nn3;Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6","InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)","","2014-05-22","2014-09-05","N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide","2014-06-18"],["IG6","(4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine","C20 H18 F3 N5","FC(F)(F)c1nc2ccc(nn2c1C)CCc1nc(cn1C)c1ccccc1;Cn1cc(nc1CCc2ccc3nc(c(C)n3n2)C(F)(F)F)c4ccccc4;Cc1c(nc2n1nc(cc2)CCc3nc(cn3C)c4ccccc4)C(F)(F)F","InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3","","2022-01-25","2022-10-07","(4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine","2022-10-12"],["IG7","[(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate","C54 H104 N2 O6 S","CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(N)=O;CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N","InChI=1S/C54H104N2O6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(57)56-50(54(55)60)48-63-47-49(62-53(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)46-61-52(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-50H,4-48H2,1-3H3,(H2,55,60)(H,56,57)/t49-,50+/m0/s1","","2022-03-18","2024-09-27","[(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate","2022-09-07"],["31W","1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea","C21 H18 F3 N3 O2 S","FC(F)(F)Oc1ccc(cc1)NC(=O)N(C2CC2)Cc3cccc(c3)c4nccs4;FC(F)(F)Oc1ccc(NC(=O)N(Cc2cccc(c2)c3sccn3)C4CC4)cc1;c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F","InChI=1S/C21H18F3N3O2S/c22-21(23,24)29-18-8-4-16(5-9-18)26-20(28)27(17-6-7-17)13-14-2-1-3-15(12-14)19-25-10-11-30-19/h1-5,8-12,17H,6-7,13H2,(H,26,28)","","2014-05-22","2014-09-05","1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea","2014-06-18"],["IG8","(3~{R})-3-oxidanyldecanoic acid","C10 H20 O3","CCCCCCC[CH](O)CC(O)=O;CCCCCCCC(CC(=O)O)O","InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1","","2023-08-01","2024-09-27","(3~{R})-3-oxidanyldecanoic acid","2024-08-14"],["31X","4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid","C27 H18 N4 O3","O=C(O)c1cc6c(n1Cc2nc(on2)c3ccccc3)ccnc6c5c4ccccc4ccc5;OC(=O)c1cc2c(ccnc2c3cccc4ccccc34)n1Cc5noc(n5)c6ccccc6;c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6","InChI=1S/C27H18N4O3/c32-27(33)23-15-21-22(31(23)16-24-29-26(34-30-24)18-8-2-1-3-9-18)13-14-28-25(21)20-12-6-10-17-7-4-5-11-19(17)20/h1-15H,16H2,(H,32,33)","","2014-05-22","2014-09-05","4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid","2014-06-18"],["31Y","N~4~-[4-(morpholin-4-yl)phenyl]-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine","C23 H23 N7 O","n1cccc(c1)CNc5nc2c(ncnc2Nc4ccc(N3CCOCC3)cc4)cc5;C1CN(CCO1)c2ccc(Nc3ncnc4ccc(NCc5cccnc5)nc34)cc2;c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5","InChI=1S/C23H23N7O/c1-2-17(14-24-9-1)15-25-21-8-7-20-22(29-21)23(27-16-26-20)28-18-3-5-19(6-4-18)30-10-12-31-13-11-30/h1-9,14,16H,10-13,15H2,(H,25,29)(H,26,27,28)","","2014-05-22","2014-09-05","N~4~-[4-(morpholin-4-yl)phenyl]-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine","2014-06-18"],["IG9","4-(azetidine-1-carbonyl)-1-methyl-N-[1-(quinolin-2-yl)-1H-imidazol-4-yl]-1H-pyrazole-5-carboxamide","C21 H19 N7 O2","O=C(c1cnn(C)c1C(=O)Nc1cn(cn1)c1ccc2ccccc2n1)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cn(cn3)c4ccc5ccccc5n4;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cn(cn3)c4ccc5ccccc5n4","InChI=1S/C21H19N7O2/c1-26-19(15(11-23-26)21(30)27-9-4-10-27)20(29)25-17-12-28(13-22-17)18-8-7-14-5-2-3-6-16(14)24-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,25,29)","","2022-01-25","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[1-(quinolin-2-yl)-1H-imidazol-4-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["IGA","6-amino-3,7-dihydro-2H-purin-2-one","C5 H5 N5 O","O=C2N=C(c1c(ncn1)N2)N;NC1=NC(=O)Nc2nc[nH]c12;c1[nH]c2c(n1)NC(=O)N=C2N","InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)","Isoguanine","2011-04-28","2021-03-01","6-amino-3,7-dihydro-2H-purin-2-one",""],["31Z","2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid","C24 H23 Cl F N3 O5","O=C(O)c2ccc(c(F)c2Oc1cccc(Cl)c1)CN4CCCC(N3C=C(C(=O)NC3=O)C)C4;CC1=CN([CH]2CCCN(C2)Cc3ccc(C(O)=O)c(Oc4cccc(Cl)c4)c3F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O","InChI=1S/C24H23ClFN3O5/c1-14-11-29(24(33)27-22(14)30)17-5-3-9-28(13-17)12-15-7-8-19(23(31)32)21(20(15)26)34-18-6-2-4-16(25)10-18/h2,4,6-8,10-11,17H,3,5,9,12-13H2,1H3,(H,31,32)(H,27,30,33)/t17-/m0/s1","","2014-05-23","2014-06-06","2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid","2014-06-11"],["IGB","(2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid","C6 H F11 O3","OC(=O)[C](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F;C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O","InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)/t2-/m0/s1","2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid","2022-03-18","2022-10-07","(2~{R})-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid","2022-10-12"],["320","2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide","C22 H16 F2 N4 O3","Fc1ccc(cc1)CC(=O)NC(=O)Nc4ccc(Oc2ccnc3c2ccn3)c(F)c4;Fc1ccc(CC(=O)NC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc1;c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F","InChI=1S/C22H16F2N4O3/c23-14-3-1-13(2-4-14)11-20(29)28-22(30)27-15-5-6-19(17(24)12-15)31-18-8-10-26-21-16(18)7-9-25-21/h1-10,12H,11H2,(H,25,26)(H2,27,28,29,30)","","2008-04-23","2011-06-04","2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide",""],["IGC","N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]OXY}METHYL)-2-H\nYDROXYHEPTADEC-3-EN-1-YL]OCTANAMIDE","C44 H81 N O18","O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OC3OC(CO)C(O)C(O)C3O)[CH]2O)[CH](O)[CH]1O)NC(=O)CCCCCCC;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O","InChI=1S/C44H81NO18/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-28(49)27(45-32(50)22-20-17-8-6-4-2)26-58-42-38(56)36(54)40(31(25-48)61-42)62-44-39(57)41(34(52)30(24-47)60-44)63-43-37(55)35(53)33(51)29(23-46)59-43/h19,21,27-31,33-44,46-49,51-57H,3-18,20,22-26H2,1-2H3,(H,45,50)/b21-19+/t27-,28+,29?,30+,31+,33?,34-,35?,36+,37?,38+,39+,40+,41-,42+,43?,44-/m0/s1","ISOGLOBOTRIHEXOSYLCERAMIDE","2007-06-22","2020-06-17","N-[(1S,2R,3E)-1-({[hexopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}methyl)-2-hydroxyheptadec-3-en-1-yl]octanamide",""],["321","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide","C22 H24 N4 O6 S3","O=S(=O)(Nc3ccc4N=C(C1=C(O)C(=NN(C1=O)CCC(C)C)c2sccc2)CS(=O)(=O)c4c3)C;CC(C)CCN1N=C(C(=C(C2=Nc3ccc(N[S](C)(=O)=O)cc3[S](=O)(=O)C2)C1=O)O)c4sccc4;CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C","InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3","","2008-05-09","2011-06-04","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide",""],["322","[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid","C14 H13 Br2 N O5 S2","O=C(O)CN1C(=O)C(SC1=S)Cc2cc(OCC)c(O)c(Br)c2Br;CCOc1cc(C[CH]2SC(=S)N(CC(O)=O)C2=O)c(Br)c(Br)c1O;CCOc1cc(c(c(c1O)Br)Br)CC2C(=O)N(C(=S)S2)CC(=O)O","InChI=1S/C14H13Br2NO5S2/c1-2-22-7-3-6(10(15)11(16)12(7)20)4-8-13(21)17(5-9(18)19)14(23)24-8/h3,8,20H,2,4-5H2,1H3,(H,18,19)/t8-/m1/s1","","2008-06-20","2011-06-04","[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",""],["IGD","~{N}-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide","C19 H17 Cl F5 N O4 S2","Fc1ccc(F)c(c1)[C]2(CC[CH](CC2)N[S](=O)(=O)C(F)(F)F)[S](=O)(=O)c3ccc(Cl)cc3;c1cc(ccc1S(=O)(=O)C2(CCC(CC2)NS(=O)(=O)C(F)(F)F)c3cc(ccc3F)F)Cl","InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2/t14-,18+","","2022-06-29","2022-10-28","~{N}-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide","2022-11-02"],["IGE","2-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione","C20 H17 N3 O2","Cc1nc([NH]c1CCN1C(=O)c2ccccc2C1=O)c1ccccc1;Cc1nc([nH]c1CCN2C(=O)c3ccccc3C2=O)c4ccccc4;Cc1c([nH]c(n1)c2ccccc2)CCN3C(=O)c4ccccc4C3=O","InChI=1S/C20H17N3O2/c1-13-17(22-18(21-13)14-7-3-2-4-8-14)11-12-23-19(24)15-9-5-6-10-16(15)20(23)25/h2-10H,11-12H2,1H3,(H,21,22)","","2022-01-25","2022-10-07","2-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione","2022-10-12"],["323","2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate","C25 H22 N2 O4","[O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C;CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(C=O)cc4C([O-])=O)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O","InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3","5-Carboxy-N,N'-tetramethyl rhodamine","2008-06-30","2024-09-27","2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-formylbenzoate",""],["DISEP","DIPHOSPHOSERINE","C3 H9 N O9 P2","N[CH](CO[P](O)(=O)O[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)OP(=O)(O)OP(=O)(O)O","InChI=1S/C3H9NO9P2/c4-2(3(5)6)1-12-15(10,11)13-14(7,8)9/h2H,1,4H2,(H,5,6)(H,10,11)(H2,7,8,9)/t2-/m0/s1","2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid","2024-01-22","2025-06-06","2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid","2025-06-11"],["324","N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide","C17 H14 Cl F2 N3 O3 S","O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(Cl)cnc2nc3)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F","InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)","","2008-02-11","2011-06-04","N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide",""],["OL4","N-biotin-C-Co4(mu3-O)4(Py)3(H2O)4-beta-alanine","C28 H36 Co4 N6 O12 S","O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCC3O[Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6ccncc6.c7ccncc7;C1C2C(C(S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2","InChI=1S/C13H21N3O4S.3C5H5N.4Co.4H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12;3*1-2-4-6-5-3-1;;;;;;;;;;;;/h8-9,11-12H,1-7H2,(H,14,17)(H2,15,16,20);3*1-5H;;;;;4*1H2;;;;/q-2;;;;2*+1;2*+2;;;;;;;;/p-4/t8-,9-,12-;;;;;;;;;;;;;;;/m0.............../s1","","2017-09-21","2018-02-23","","2018-02-28"],["325","N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide","C21 H16 F2 N4 O3 S","O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cccnc4)CC;CC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4cccnc4;CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F","InChI=1S/C21H16F2N4O3S/c1-2-31(29,30)27-17-6-5-16(22)18(19(17)23)20(28)15-11-26-21-14(15)8-13(10-25-21)12-4-3-7-24-9-12/h3-11,27H,2H2,1H3,(H,25,26)","PLX3203","2008-02-07","2021-03-01","N-(2,4-difluoro-3-{[5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)ethanesulfonamide",""],["326","2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID","C18 H16 N4 O9 S2","O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3;Cc1cc(ccc1n2nc(C)c(N=Nc3cc(ccc3C(O)=O)[S](O)(=O)=O)c2O)[S](O)(=O)=O;Cc1cc(ccc1n2c(c(c(n2)C)N=Nc3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O","InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+","2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID","2004-06-17","2020-06-17","2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid",""],["OL5","N-biotin-C-Co4(mu3-O)4(OAc)(Py)3(H2O)3-beta-alanine","C30 H40 Co4 N6 O13 S","O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)O[Co](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8;CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCCC8C9C(CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1","InChI=1S/C13H21N3O4S.3C5H5N.C2H4O2.4Co.3H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12;3*1-2-4-6-5-3-1;1-2(3)4;;;;;;;;;;;/h8-9,11-12H,1-7H2,(H,14,17)(H2,15,16,20);3*1-5H;2H,1H3;;;;;3*1H2;;;;/q-2;;;;-2;+1;3*+2;;;;;;;/p-3/t8-,9-,12-;;;;;;;;;;;;;;;/m0.............../s1","","2017-09-20","2018-02-23","","2018-02-28"],["OL6","(2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid","C20 H22 N2 O6 S","CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)COc2cccc3c2cccc3)C(=O)O)C","InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1","","2023-02-07","2024-02-02","(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid","2024-02-07"],["327","(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine","C10 H14 N2 O S","O1c2ccsc2C(=[N@H])NC(C1)CCC;CCC[CH]1COc2ccsc2C(=N)N1;[H]N=C1c2c(ccs2)OCC(N1)CCC","InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1","","2008-09-26","2011-06-04","(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine",""],["OL7","methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate","C42 H57 N7 O10 S","C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(OC)=O)C7CCCCC7)=O)=O)=O;COC(=O)N[CH](C1CCCCC1)C(=O)N[CH]2CCCCCC=C[CH]3C[C]3(NC(=O)[CH]4C[CH](CN4C2=O)Oc5nc6cc(OC)ccc6nc5C)C(=O)N[S](=O)(=O)C7(C)CC7;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)C(C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C42H57N7O10S/c1-25-37(45-32-21-28(57-3)17-18-30(32)43-25)59-29-22-33-35(50)47-42(39(53)48-60(55,56)41(2)19-20-41)23-27(42)15-11-6-5-7-12-16-31(38(52)49(33)24-29)44-36(51)34(46-40(54)58-4)26-13-9-8-10-14-26/h11,15,17-18,21,26-27,29,31,33-34H,5-10,12-14,16,19-20,22-24H2,1-4H3,(H,44,51)(H,46,54)(H,47,50)(H,48,53)/b15-11-/t27-,29-,31+,33+,34+,42-/m1/s1","P4-P5-6 (NR03-68)","2019-06-28","2021-03-01","methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate","2020-03-04"],["328","4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile","C19 H20 N4 O2","O=C(c1ccc(C#N)cc1)N3CCC(Nc2nccc(OC)c2)CC3;COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(cc3)C#N)c1;COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N","InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22)","","2008-09-26","2011-06-04","4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile",""],["OL8","~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide","C15 H10 N2 O4","O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3;c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3","InChI=1S/C15H10N2O4/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)","","2020-03-19","2020-04-03","~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide","2020-04-08"],["329","(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine","C8 H10 N2 O S","N1=C(N)c2sccc2OC(C1)C;C[CH]1CN=C(N)c2sccc2O1;CC1CN=C(c2c(ccs2)O1)N","InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1","","2008-09-26","2011-06-04","(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",""],["32A","2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide","C13 H17 N3 O2 S","O=C(c1oc(C#CCCCC)cc1)NNC(=S)NC;CCCCC#Cc1oc(cc1)C(=O)NNC(=S)NC;CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC","InChI=1S/C13H17N3O2S/c1-3-4-5-6-7-10-8-9-11(18-10)12(17)15-16-13(19)14-2/h8-9H,3-5H2,1-2H3,(H,15,17)(H2,14,16,19)","","2009-03-27","2011-06-04","2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide",""],["OL9","MK-0752","C21 H21 Cl F2 O4 S","OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3;c1cc(ccc1S(=O)(=O)C2(CCC(CC2)CCC(=O)O)c3cc(ccc3F)F)Cl","InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+","","2023-08-23","2024-11-11","3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid","2024-08-14"],["32B","2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid","C27 H30 Cl N3 O6","O=C(O)c2ccc(c(OC)c2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC;CC[CH](N1CCC[CH](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(O)=O)c(Oc4cccc(Cl)c4)c3OC;CCC(c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCCC(C3)N4C=C(C(=O)NC4=O)C","InChI=1S/C27H30ClN3O6/c1-4-22(30-12-6-8-18(15-30)31-14-16(2)25(32)29-27(31)35)20-10-11-21(26(33)34)24(23(20)36-3)37-19-9-5-7-17(28)13-19/h5,7,9-11,13-14,18,22H,4,6,8,12,15H2,1-3H3,(H,33,34)(H,29,32,35)/t18-,22+/m0/s1","","2014-05-23","2014-06-06","2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid","2014-06-11"],["OLA","OLEIC ACID","C18 H34 O2","O=C(O)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(O)=O;CCCCCCCCC=CCCCCCCCC(=O)O","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-","","1999-07-08","2025-02-13","(9Z)-octadec-9-enoic acid",""],["OLB","(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate","C21 H40 O4","O=C(OCC(O)CO)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O","InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1","","2011-01-12","2012-05-22","(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",""],["32C","2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","C28 H31 Cl F N3 O5","O=C(O)c2ccc(c(F)c2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC(C)C;CC(C)C[CH](N1CCC[CH](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(O)=O)c(Oc4cccc(Cl)c4)c3F;CC1=CN(C(=O)NC1=O)C2CCCN(C2)C(CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O","InChI=1S/C28H31ClFN3O5/c1-16(2)12-23(32-11-5-7-19(15-32)33-14-17(3)26(34)31-28(33)37)21-9-10-22(27(35)36)25(24(21)30)38-20-8-4-6-18(29)13-20/h4,6,8-10,13-14,16,19,23H,5,7,11-12,15H2,1-3H3,(H,35,36)(H,31,34,37)/t19-,23+/m0/s1","","2014-05-23","2014-06-06","2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","2014-06-11"],["32D","(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine","C24 H16 F3 N5","FC(F)c1nccc(c1)C3(N=C(c2c(F)cccc23)N)c5cccc(c4cncnc4)c5;NC1=N[C](c2cccc(c2)c3cncnc3)(c4ccnc(c4)C(F)F)c5cccc(F)c15;c1cc(cc(c1)C2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5","InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1","","2012-06-28","2014-09-05","(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-[3-(pyrimidin-5-yl)phenyl]-1H-isoindol-3-amine","2012-10-12"],["OLC","(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate","C21 H40 O4","O=C(OCC(O)CO)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O","InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1","1-Oleoyl-R-glycerol","2008-05-22","2021-03-01","(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",""],["32E","2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","C28 H31 Cl F N3 O5","O=C(O)c2ccc(c(F)c2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC(C)C;CC(C)C[CH](N1CCC[CH](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(O)=O)c(Oc4cccc(Cl)c4)c3F;CC1=CN(C(=O)NC1=O)C2CCCN(C2)C(CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O","InChI=1S/C28H31ClFN3O5/c1-16(2)12-23(32-11-5-7-19(15-32)33-14-17(3)26(34)31-28(33)37)21-9-10-22(27(35)36)25(24(21)30)38-20-8-4-6-18(29)13-20/h4,6,8-10,13-14,16,19,23H,5,7,11-12,15H2,1-3H3,(H,35,36)(H,31,34,37)/t19-,23-/m0/s1","","2014-05-23","2014-06-06","2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","2014-06-11"],["OLD","3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine","C14 H14 Br N3 O3","O=C(c1ccc(Br)cc1)Cn2c(cnc2)CC(C(=O)O)N;N[CH](Cc1cncn1CC(=O)c2ccc(Br)cc2)C(O)=O;c1cc(ccc1C(=O)Cn2cncc2CC(C(=O)O)N)Br","InChI=1S/C14H14BrN3O3/c15-10-3-1-9(2-4-10)13(19)7-18-8-17-6-11(18)5-12(16)14(20)21/h1-4,6,8,12H,5,7,16H2,(H,20,21)/t12-/m0/s1","","2009-06-26","2024-09-27","3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine","2012-10-12"],["OLE","2-HYDROXY-4-METHYL-PENTANOIC ACID","C6 H12 O3","O=C(O)C(O)CC(C)C;CC(C)C[CH](O)C(O)=O;CC(C)CC(C(=O)O)O","InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1/f/h8H","","1999-07-08","2009-01-07","(2S)-2-hydroxy-4-methylpentanoic acid",""],["32F","2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid","C16 H12 N2 O4","O=C(O)COc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3;OC(=O)COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O","InChI=1S/C16H12N2O4/c19-14(20)9-22-11-7-5-10(6-8-11)15-17-13-4-2-1-3-12(13)16(21)18-15/h1-8H,9H2,(H,19,20)(H,17,18,21)","","2013-06-24","2014-09-05","[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenoxy]acetic acid","2013-10-30"],["32G","(3aS,4S,6aR)-4-(5-{1-[4-(6-amino-9H-purin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","C21 H30 N10 O S","O=C1NC2C(SCC2N1)CCCCCc3nnn(c3)CCCCn4c5ncnc(N)c5nc4;Nc1ncnc2n(CCCCn3cc(CCCCC[CH]4SC[CH]5NC(=O)N[CH]45)nn3)cnc12;c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1","","2012-01-19","2012-12-21","(3aS,4S,6aR)-4-(5-{1-[4-(6-amino-9H-purin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","2012-12-21"],["OLF","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid","C29 H26 Cl F2 N3 O3","O=C(O)c1ccc(c(c1)C)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5;Cc1cc(ccc1NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)C(O)=O;Cc1cc(ccc1NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O","InChI=1S/C29H26ClF2N3O3/c1-16-13-19(29(37)38)9-12-23(16)34-28(36)26(17-5-3-2-4-6-17)35-25-15-22(32)21(31)14-24(25)33-27(35)18-7-10-20(30)11-8-18/h7-15,17,26H,2-6H2,1H3,(H,34,36)(H,37,38)/t26-/m0/s1","","2010-09-08","2011-06-04","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid",""],["OLI","OLEIC ACID","C18 H34 O2","O=C(O)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(O)=O;CCCCCCCCC=CCCCCCCCC(=O)O","InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/f/h19H","","1999-07-08","2008-10-14","(9Z)-octadec-9-enoic acid",""],["32H","2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile","C14 H6 Br2 N2 O2 S","Brc3ccc(c1c2C(O)=C(C#N)C(=O)Nc2sc1Br)cc3;OC1=C(C#N)C(=O)Nc2sc(Br)c(c3ccc(Br)cc3)c12;c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br","InChI=1S/C14H6Br2N2O2S/c15-7-3-1-6(2-4-7)9-10-11(19)8(5-17)13(20)18-14(10)21-12(9)16/h1-4H,(H2,18,19,20)","Br2-A769662core","2014-05-23","2021-03-01","2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile","2014-08-06"],["32I","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide","C18 H25 N9 O3","COc1ncc(c(OC)n1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N;COc1c(cnc(n1)OC)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3","InChI=1S/C18H25N9O3/c1-29-16-10(9-22-18(26-16)30-2)11-14(27-7-5-3-4-6-8-27)24-13(19)12(23-11)15(28)25-17(20)21/h9H,3-8H2,1-2H3,(H2,19,24)(H4,20,21,25,28)","","2018-02-16","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide","2018-12-19"],["OLJ","(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C39 H50 N6 O9 S","C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC8(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CC7C(C6)C7)C8)=O;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7C[CH]8C[CH]8C7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CC7CC7C6)C(=O)NS(=O)(=O)C8(CC8)C","InChI=1S/C39H50N6O9S/c1-22-34(41-31-18-26(52-3)11-12-29(31)40-22)53-28-19-32-33(46)43-39(36(48)44-55(50,51)38(2)13-14-38)20-25(39)9-7-5-4-6-8-10-30(35(47)45(32)21-28)42-37(49)54-27-16-23-15-24(23)17-27/h7,9,11-12,18,23-25,27-28,30,32H,4-6,8,10,13-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t23-,24+,25-,27+,28-,30+,32+,39-/m1/s1","P4-7 (NR03-77)","2019-06-28","2021-03-01","(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2020-03-04"],["32J","2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile","C20 H11 Cl N2 O3 S","N#CC4=C(O)c1c(sc(Cl)c1c3ccc(c2ccccc2O)cc3)NC4=O;Oc1ccccc1c2ccc(cc2)c3c(Cl)sc4NC(=O)C(=C(O)c34)C#N;c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O","InChI=1S/C20H11ClN2O3S/c21-18-15(16-17(25)13(9-22)19(26)23-20(16)27-18)11-7-5-10(6-8-11)12-3-1-2-4-14(12)24/h1-8,24H,(H2,23,25,26)","Cl-A769662","2014-05-23","2021-03-01","2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile","2014-08-06"],["OLM","Olmesartan","C24 H26 N6 O3","c1c(ccc(c1)Cn2c(CCC)nc(C(O)(C)C)c2C(O)=O)c3ccccc3c4nnnn4;CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(O)=O)C(C)(C)O;CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O","InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)","","2015-05-18","2015-10-02","4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid","2015-10-07"],["32K","2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid","C25 H26 Cl N3 O6","O=C(O)c2ccc(c(OC)c2Oc1cccc(Cl)c1)CN4CCCC(N3C=C(C(=O)NC3=O)C)C4;COc1c(CN2CCC[CH](C2)N3C=C(C)C(=O)NC3=O)ccc(C(O)=O)c1Oc4cccc(Cl)c4;CC1=CN(C(=O)NC1=O)C2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O","InChI=1S/C25H26ClN3O6/c1-15-12-29(25(33)27-23(15)30)18-6-4-10-28(14-18)13-16-8-9-20(24(31)32)22(21(16)34-2)35-19-7-3-5-17(26)11-19/h3,5,7-9,11-12,18H,4,6,10,13-14H2,1-2H3,(H,31,32)(H,27,30,33)/t18-/m0/s1","","2014-05-23","2014-06-06","2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid","2014-06-11"],["OLN","(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID","C8 H15 N3 O4","O=C(O)C(NC(=O)C)CCCNC(=O)N;CC(=O)N[CH](CCCNC(N)=O)C(O)=O;CC(=O)NC(CCCNC(=O)N)C(=O)O","InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1","N-ACETYL-L-CITRULLINE","2005-01-10","2021-03-01","N~2~-acetyl-N~5~-carbamoyl-L-ornithine",""],["32L","ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate","C10 H21 N O3","O=C(OCC)CC(O)C(N)CC(C)C;CCOC(=O)C[CH](O)[CH](N)CC(C)C;CCOC(=O)CC(C(CC(C)C)N)O","InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1","","2014-05-27","2024-09-27","ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate","2014-06-04"],["OLO","OLOMOUCINE","C15 H18 N6 O","n2c1c(ncn1C)c(nc2NCCO)NCc3ccccc3;Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12;Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO","InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)","","1999-07-08","2011-06-04","2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethanol",""],["32M","3,6,9,12,15,18-hexaoxahexacosan-1-ol","C20 H42 O7","O(CCOCCCCCCCC)CCOCCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3","HEXAETHYLENE GLYCOL MONOOCTYL ETHER","2014-05-27","2020-06-17","3,6,9,12,15,18-hexaoxahexacosan-1-ol","2015-09-09"],["OLP","2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE","C16 H19 Cl N6 O","Clc3cccc(/N=C2N=C(Nc1c2ncn1C(C)C)NCCO)c3;CC(C)n1cnc2c1NC(=NC2=Nc3cccc(Cl)c3)NCCO;CC(C)n1cnc2c1NC(=NC2=Nc3cccc(c3)Cl)NCCO","InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)","","2006-05-15","2011-06-04","2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-(1-methylethyl)-6,9-dihydro-3H-purin-2-yl]amino}ethanol",""],["OLQ","2,6-difluoro-3-methoxybenzamide","C8 H7 F2 N O2","COc1ccc(F)c(C(N)=O)c1F;COc1ccc(c(c1F)C(=O)N)F","InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)","2,6-bis(fluoranyl)-3-methoxy-benzamide","2020-03-20","2021-07-23","2,6-bis(fluoranyl)-3-methoxy-benzamide","2021-07-28"],["32N","(1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol","C40 H56 O3","CC(=CC=CC=C(C)C=CC=C(CO)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)CO","InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37+/m1/s1","","2021-07-09","2023-01-13","(1~{S})-4-[(1~{E},3~{Z},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol","2023-01-18"],["OLR","6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one","C19 H18 N4 O3 S","C[CH](c1ccc2NC(=O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4;CC(c1ccc2c(c1)SC(=O)N2)c3ccn(n3)c4ccc(cn4)OCCO","InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1","","2022-09-14","2023-04-14","6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one","2023-04-19"],["32O","beta-L-ribofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m0/s1","beta-L-ribose; L-ribose; ribose","2014-05-29","2020-07-17","beta-L-ribofuranose","2014-09-03"],["32P","3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE","C29 H34 F N3 O6 S","Fc1ccc(cc1)C(NC(=O)c3cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c3)C;C[CH](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(O[S](=O)(=O)Cc2ccccc2)c1)c3ccc(F)cc3;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN","InChI=1S/C29H34FN3O6S/c1-21(23-10-12-25(30)13-11-23)33-29(35)24-16-26(38-19-28(34)32-15-7-3-6-14-31)18-27(17-24)39-40(36,37)20-22-8-4-2-5-9-22/h2,4-5,8-13,16-18,21H,3,6-7,14-15,19-20,31H2,1H3,(H,32,34)(H,33,35)/t21-/m1/s1","","2004-08-16","2011-06-04","3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}phenyl phenylmethanesulfonate",""],["OLS","N-biotin-C-Co4(mu3-O)4(Py)4(H2O)4-beta-alanine","C33 H41 Co4 N7 O12 S","O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCC3O[Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6ccncc6.c7ccncc7.c8ccncc8;C1C2C(C(S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2","InChI=1S/C13H21N3O4S.4C5H5N.4Co.4H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12;4*1-2-4-6-5-3-1;;;;;;;;;;;;/h8-9,11-12H,1-7H2,(H,14,17)(H2,15,16,20);4*1-5H;;;;;4*1H2;;;;/q-2;;;;;;3*+2;;;;;;;;/p-4/t8-,9-,12-;;;;;;;;;;;;;;;;/m0................/s1","","2017-09-20","2018-02-23","","2018-02-28"],["32Q","(2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid","C20 H27 N2 O4 P","O=C(O)C(Cc1ccc(cc1)CN)CP(=O)(O)C(N)CCc2ccccc2;NCc1ccc(C[CH](C[P](O)(=O)[CH](N)CCc2ccccc2)C(O)=O)cc1;c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccc(cc2)CN)C(=O)O)O","InChI=1S/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)/t18-,19-/m1/s1","","2014-05-29","2014-09-19","(2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid","2014-09-24"],["OLT","O-METHYL-L-THREONINE","C5 H11 N O3","O=C(O)C(N)C(OC)C;CO[CH](C)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC","InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1","","2005-09-02","2024-09-27","O-methyl-L-threonine",""],["32R","(2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid","C20 H27 N2 O4 P","O=C(O)C(Cc1ccc(cc1)CN)CP(=O)(O)C(N)CCc2ccccc2;NCc1ccc(C[CH](C[P](O)(=O)[CH](N)CCc2ccccc2)C(O)=O)cc1;c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccc(cc2)CN)C(=O)O)O","InChI=1S/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)/t18-,19+/m0/s1","","2014-05-29","2014-09-19","(2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid","2014-09-24"],["OLU","2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE","C10 H6 N2 O2 S2","O=C1N=C(SC1)c2sc3c(n2)ccc(O)c3;Oc1ccc2nc(sc2c1)C3=NC(=O)CS3;c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3","InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2","OXYLUCIFERIN","2005-09-06","2020-06-17","2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one",""],["32S","6-Seleno-tryptophan","C9 H10 N2 O2 Se","O=C(O)C(N)Cc2c1[se]ccc1nc2;N[CH](Cc1c[nH]c2cc[se]c12)C(O)=O;c1c[se]c2c1[nH]cc2CC(C(=O)O)N","InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1","(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID","2003-12-30","2025-07-23","3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine",""],["OLV","cyclohexyl\n[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,\n16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-\nyl]carbamate","C39 H52 N6 O9 S","C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CCCCC6)C7)=O;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CCCCC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C39H52N6O9S/c1-24-34(41-31-20-27(52-3)16-17-29(31)40-24)53-28-21-32-33(46)43-39(36(48)44-55(50,51)38(2)18-19-38)22-25(39)12-8-5-4-6-11-15-30(35(47)45(32)23-28)42-37(49)54-26-13-9-7-10-14-26/h8,12,16-17,20,25-26,28,30,32H,4-7,9-11,13-15,18-19,21-23H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,28-,30+,32+,39-/m1/s1","P4-6 (NR03-67)","2019-06-28","2020-06-17","cyclohexyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2020-03-04"],["32T","(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID","C9 H10 N2 O2 S","O=C(O)C(N)Cc2c1sccc1nc2;N[CH](Cc1c[nH]c2ccsc12)C(O)=O;c1csc2c1[nH]cc2CC(C(=O)O)N","InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1","","2003-12-30","2025-07-23","3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine",""],["OLW","3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile","C17 H16 N6","N#Cc1cccc(c1)CNCCc2nc(ncc2)n3ccnc3;N#Cc1cccc(CNCCc2ccnc(n2)n3ccnc3)c1;c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3","InChI=1S/C17H16N6/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23/h1-3,5,7-10,13,19H,4,6,12H2","2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(3-cyanobenzyl)ethan-1-amine","2014-10-21","2021-03-01","3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile","2014-12-24"],["32U","D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide","C22 H28 N5 O2","O=C(NCc1ccc(C(=[NH2+])N)cc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=[NH2+];c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N","InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/p+1/t18-,19+/m1/s1","","2007-11-22","2012-01-05","D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide",""],["OLX","[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid","C12 H13 N O4","O=C(O)CN1c2ccc(cc2C(O)C1=O)CC;CCc1ccc2N(CC(O)=O)C(=O)[CH](O)c2c1;CCc1ccc2c(c1)C(C(=O)N2CC(=O)O)O","InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1","","2023-08-17","2024-09-27","[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid","2023-11-08"],["OLY","methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate","C40 H55 N7 O10 S","C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc3c(C)nc4c(n3)CC(OC)=CC4)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)C7(NC(=O)OC)CCCC7)=O;COC(=O)NC1(CCCC1)C(=O)N[CH]2CCCCCC=C[CH]3C[C]3(NC(=O)[CH]4C[CH](CN4C2=O)Oc5nc6CC(=CCc6nc5C)OC)C(=O)N[S](=O)(=O)C7(C)CC7;Cc1c(nc2c(n1)CC=C(C2)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C40H55N7O10S/c1-24-33(42-30-20-26(55-3)14-15-28(30)41-24)57-27-21-31-32(48)44-40(36(51)46-58(53,54)38(2)18-19-38)22-25(40)12-8-6-5-7-9-13-29(34(49)47(31)23-27)43-35(50)39(16-10-11-17-39)45-37(52)56-4/h8,12,14,25,27,29,31H,5-7,9-11,13,15-23H2,1-4H3,(H,43,50)(H,44,48)(H,45,52)(H,46,51)/b12-8-/t25-,27-,29+,31+,40-/m1/s1","P4-P5-5 (WK-25)","2019-06-28","2021-03-01","methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate","2020-03-04"],["32V","2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one","C15 H17 N3 O S","O=C1c3scc(C#C)c3N=C(N1CC)NC2CCCC2;CCN1C(=O)c2scc(C#C)c2N=C1NC3CCCC3;CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3","InChI=1S/C15H17N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h1,9,11H,4-8H2,2H3,(H,16,17)","","2014-05-30","2014-11-28","2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one","2014-12-03"],["32W","N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide","C23 H21 N5 O2","O=C(NCCOC)c1ccc(cc1)Nc4nc2c(cc(cc2)c3ccncc3)cn4;COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1;COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4","InChI=1S/C23H21N5O2/c1-30-13-12-25-22(29)17-2-5-20(6-3-17)27-23-26-15-19-14-18(4-7-21(19)28-23)16-8-10-24-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,27,28)","","2012-09-19","2014-09-05","N-(2-methoxyethyl)-4-{[6-(pyridin-4-yl)quinazolin-2-yl]amino}benzamide","2013-02-22"],["OLZ","O-(2-aminoethyl)-L-serine","C5 H12 N2 O3","O=C(O)C(N)COCCN;NCCOC[CH](N)C(O)=O;C(COCC(C(=O)O)N)N","InChI=1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1","","2008-06-27","2011-06-04","O-(2-aminoethyl)-L-serine",""],["OM0","(1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol","C7 H11 Br O5","OC1C(CO)=C(Br)C(O)C(O)C1O;OCC1=C(Br)[CH](O)[CH](O)[CH](O)[CH]1O;C(C1=C(C(C(C(C1O)O)O)O)Br)O","InChI=1S/C7H11BrO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h4-7,9-13H,1H2/t4-,5+,6+,7+/m1/s1","C5a-bromo-valienide","2022-05-12","2024-09-27","(1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol","2023-04-05"],["32X","5-aminoisoquinolin-1(4H)-one","C9 H8 N2 O","O=C2N=CCc1c2cccc1N;Nc1cccc2C(=O)N=CCc12;c1cc2c(c(c1)N)CC=NC2=O","InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3,5H,4,10H2","","2014-06-02","2014-10-10","5-aminoisoquinolin-1(4H)-one","2014-10-15"],["32Y","6-amino-5-iodo-2H-chromen-2-one","C9 H6 I N O2","Ic2c(ccc1OC(=O)C=Cc12)N;Nc1ccc2OC(=O)C=Cc2c1I;c1cc2c(c(c1N)I)C=CC(=O)O2","InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2","","2014-06-04","2014-10-10","6-amino-5-iodo-2H-chromen-2-one","2014-10-15"],["OM1","(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM","C25 H25 N2 O6","O=C(NCc1ccc(OC)cc1)c2ccccc2C[NH2+]Cc3ccc4OCOc4c3C(=O)O;COc1ccc(CNC(=O)c2ccccc2C[NH2+]Cc3ccc4OCOc4c3C(O)=O)cc1;COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C25H24N2O6/c1-31-19-9-6-16(7-10-19)12-27-24(28)20-5-3-2-4-17(20)13-26-14-18-8-11-21-23(33-15-32-21)22(18)25(29)30/h2-11,26H,12-15H2,1H3,(H,27,28)(H,29,30)/p+1","","2011-07-01","2014-09-05","(4-carboxy-1,3-benzodioxol-5-yl)-N-{2-[(4-methoxybenzyl)carbamoyl]benzyl}methanaminium",""],["OM2","(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM","C22 H27 N2 O5","CC[CH](C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3OCOc3c2C(O)=O;CCC(C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3c(c2C(=O)O)OCO3","InChI=1S/C22H26N2O5/c1-4-14(2)23-21(25)17-8-6-5-7-15(17)11-24(3)12-16-9-10-18-20(29-13-28-18)19(16)22(26)27/h5-10,14H,4,11-13H2,1-3H3,(H,23,25)(H,26,27)/p+1/t14-/m0/s1","","2011-07-01","2023-09-23","[2-[[(2~{S})-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium",""],["32Z","5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one","C18 H26 N2 O2","O=C3c2cccc(OCCCCN1CCCCC1)c2CCN3;O=C1NCCc2c(OCCCCN3CCCCC3)cccc12;c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O","InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)","","2014-06-05","2020-05-27","5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one","2014-11-05"],["OM3","(R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM","C25 H31 N2 O5","C[NH+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCOc4c3C(O)=O;C[NH+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C25H30N2O5/c1-27(15-19-11-12-21-23(32-16-31-21)22(19)25(29)30)14-18-9-5-6-10-20(18)24(28)26-13-17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,28)(H,29,30)/p+1","","2011-07-01","2023-09-23","(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium",""],["330","9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE","C24 H20 N2 O5","O=C5c4c2c1cc(O)ccc1n(c2cc(c3ccccc3OC)c4C(=O)N5)CCCO;COc1ccccc1c2cc3n(CCCO)c4ccc(O)cc4c3c5C(=O)NC(=O)c25;COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O","InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)","","2006-10-20","2011-06-04","9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione",""],["331","(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID","C27 H36 F2 N2 O4","Fc1ccc(c(F)c1)NC(=O)N(CCCCCCC)CCc2ccc(OC(C(=O)O)(CC)C)cc2;CCCCCCCN(CCc1ccc(O[C](C)(CC)C(O)=O)cc1)C(=O)Nc2ccc(F)cc2F;CCCCCCCN(CCc1ccc(cc1)OC(C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F","InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1","GW2331","2004-11-24","2020-06-17","(2S)-2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenoxy]-2-methylbutanoic acid",""],["OM4","1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene","C13 H9 Cl3 O","COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2;COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl","InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3","","2016-09-26","2020-12-04","1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene","2020-12-09"],["332","(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine","C17 H19 N3 O2 S","N1=C(N)c4sccc4OCC1COc2cc3c(cc2)CCNC3;NC1=N[CH](COc2ccc3CCNCc3c2)COc4ccsc14;c1cc2c(cc1OCC3COc4ccsc4C(=N3)N)CNCC2","InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1","","2008-09-26","2011-06-04","(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",""],["OM6","(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one","C14 H16 O3","Oc1ccc2c(c1)OC(C2=O)C1CCCCC1;Oc1ccc2C(=O)[CH](Oc2c1)C3CCCCC3;c1cc2c(cc1O)OC(C2=O)C3CCCCC3","InChI=1S/C14H16O3/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2/t14-/m0/s1","","2023-05-05","2023-06-09","(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one","2023-06-14"],["OM7","(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo\npropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl\nopentadecine-14a(5H)-carboxamide","C40 H55 N7 O9 S","C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(C)=O)C(CC)C)=O)=O)=O;CC[CH](C)[CH](NC(C)=O)C(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C)CC6;CCC(C)C(C(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C","InChI=1S/C40H55N7O9S/c1-7-23(2)33(42-25(4)48)35(50)43-30-14-12-10-8-9-11-13-26-21-40(26,38(52)46-57(53,54)39(5)17-18-39)45-34(49)32-20-28(22-47(32)37(30)51)56-36-24(3)41-29-16-15-27(55-6)19-31(29)44-36/h11,13,15-16,19,23,26,28,30,32-33H,7-10,12,14,17-18,20-22H2,1-6H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t23-,26+,28+,30-,32-,33-,40+/m0/s1","P4-P5-4 (AJ-65)","2019-06-28","2020-06-17","(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide","2020-03-04"],["333","4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE","C20 H14 N4 O4","O4c5ccc(Oc3nc(Oc2ccc(n1ccnc1)cc2)ncc3)cc5OC4;C1Oc2ccc(Oc3ccnc(Oc4ccc(cc4)n5ccnc5)n3)cc2O1;c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5","InChI=1S/C20H14N4O4/c1-3-15(4-2-14(1)24-10-9-21-12-24)28-20-22-8-7-19(23-20)27-16-5-6-17-18(11-16)26-13-25-17/h1-12H,13H2","","2007-02-07","2011-06-04","4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]pyrimidine",""],["334","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE","C15 H13 Br N4 O","Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C;Cc1cc(Br)c([O-])c(c1)c2[nH]c3ccc(cc3n2)C(N)=[NH2+];Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N","InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)","CRA_9334","2003-03-14","2020-06-17","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate",""],["OM8","3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide","C14 H10 Cl F2 N O2","NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F;c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F","InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)","","2020-03-20","2021-07-23","3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide","2021-07-28"],["335","[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID","C29 H25 F4 N3 O6 P2","FC(F)(c1ccc(cc1)CC(c2ccccc2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O;O[P](O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)(n3nnc4ccccc34)c5ccccc5)cc1;c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4","InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)","","2003-08-18","2011-06-04","{[2-(1H-benzotriazol-1-yl)-2-phenylpropane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)",""],["OMA","10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid","C19 H34 O2","O=C(O)CCCCCCCCCC1CC1C/C=C/CCC;CCCC=CC[CH]1C[CH]1CCCCCCCCCC(O)=O;CCCC=CCC1CC1CCCCCCCCCC(=O)O","InChI=1S/C19H34O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h4,10,17-18H,2-3,5-9,11-16H2,1H3,(H,20,21)/b10-4+/t17-,18+/m0/s1","","2014-05-07","2015-05-01","10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid","2015-05-06"],["336","4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE","C27 H31 Br2 Cl N4 O2","O=C(N4CCC(C3c1c(Br)cc(Cl)cc1CCc2cc(Br)cnc23)CC4)CC5CCN(C(=O)N)CC5;NC(=O)N1CCC(CC1)CC(=O)N2CCC(CC2)[CH]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35;c1c(cc(c2c1CCc3cc(cnc3C2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl","InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1","SCH66336","2003-10-06","2021-03-01","4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide",""],["OMB","OXYMETHYLENE BRIDGING GROUP","C H2 O","OC;[CH2][O];[CH2][O]","InChI=1/CH4O/c1-2/h2H,1H3","","2001-04-02","2008-10-14","methanol",""],["337","N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide","C30 H34 N6 O5 S","O=S(=O)(Nc1cc(cc(c1OC)NC(=O)c2ccc(c(c2)n3nnc(c3)C(=O)NCc4ccccc4)C)C(C)(C)C)C;COc1c(NC(=O)c2ccc(C)c(c2)n3cc(nn3)C(=O)NCc4ccccc4)cc(cc1N[S](C)(=O)=O)C(C)(C)C;Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C","InChI=1S/C30H34N6O5S/c1-19-12-13-21(14-26(19)36-18-25(33-35-36)29(38)31-17-20-10-8-7-9-11-20)28(37)32-23-15-22(30(2,3)4)16-24(27(23)41-5)34-42(6,39)40/h7-16,18,34H,17H2,1-6H3,(H,31,38)(H,32,37)","","2008-05-13","2011-06-04","N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide",""],["OMC","O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE","C10 H16 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;COC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1","","1999-07-08","2024-09-27","2'-O-methylcytidine 5'-(dihydrogen phosphate)",""],["OMD","2-(3,6-DIHYDROXYPHENYL)ACETIC ACID","C8 H8 O4","O=C(O)Cc1cc(O)ccc1O;OC(=O)Cc1cc(O)ccc1O;c1cc(c(cc1O)CC(=O)O)O","InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)","HOMOGENTISIC ACID","1999-07-08","2021-03-01","(2,5-dihydroxyphenyl)acetic acid",""],["338","2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL","C17 H11 N O3","n1c4ccc(O)cc4oc1c3c2cccc(O)c2ccc3;Oc1ccc2nc(oc2c1)c3cccc4c(O)cccc34;c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O","InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H","","2004-08-02","2011-06-04","2-(5-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol",""],["OME","METHOXY GROUP","C H3 O","OC;C[O];C[O]","InChI=1/CH4O/c1-2/h2H,1H3","","1999-07-08","2008-10-14","methanol",""],["339","(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE","C29 H45 Br N10 O5 S","O=C(c1nccs1)C(NC(=O)C(NC(=O)C(NC(=O)NC(c2ccc(Br)cc2)C)CCCNC(=O)N)C(C)C)CCCNC(N)N;CC(C)[CH](NC(=O)[CH](CCCNC(N)=O)NC(=O)N[CH](C)c1ccc(Br)cc1)C(=O)N[CH](CCCNC(N)N)C(=O)c2sccn2;CC(C)C(C(=O)NC(CCCNC(N)N)C(=O)c1nccs1)NC(=O)C(CCCNC(=O)N)NC(=O)NC(C)c2ccc(cc2)Br","InChI=1S/C29H45BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22,27,35H,4-7,12-13,31-32H2,1-3H3,(H,38,43)(H,40,42)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1","","2005-05-25","2024-09-27","2-[N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N~5~-carbamoyl-L-ornithyl-L-valyl-N~5~-(diaminomethyl)-L-ornithyl]-1,3-thiazole",""],["33A","N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE","C21 H17 Cl N4 O","O=C(NCc1ccccc1)c4cc(c3nncc3c2cc(Cl)ccc2)cn4;Clc1cccc(c1)c2c[nH]nc2c3c[nH]c(c3)C(=O)NCc4ccccc4;c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl","InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)","","2007-01-15","2011-06-04","N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide",""],["OMF","1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene","C13 H8 Cl4 O","COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2;COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl","InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3","","2016-09-26","2020-12-04","1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene","2020-12-09"],["33B","3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}","C16 H14 Cl2 N4 O8 S2","ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O;O[S](=O)(=O)c1cc(ccc1NC(=O)CCl)N=Nc2ccc(NC(=O)CCl)c(c2)[S](O)(=O)=O;c1cc(c(cc1N=Nc2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl","InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+","","2012-02-27","2024-12-10","3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",""],["OMG","O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OC)COP(=O)(O)O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O","InChI=1S/C11H16N5O8P/c1-22-7-6(17)4(2-23-25(19,20)21)24-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-09-27","2'-O-methylguanosine 5'-(dihydrogen phosphate)",""],["33C","4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide","C25 H21 N3 O3","O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4CC(CC4)C6C5=O;O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[CH]5[CH]6CC[CH](C6)[CH]5C4=O;c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)C5C6CCC(C6)C5C4=O","InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+","","2014-06-06","2020-06-27","4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide","2014-11-05"],["OMH","O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine","C4 H10 N O6 P","O=P(O)(OC)OCC(N)C(=O)O;CO[P](O)(=O)OC[CH](N)C(O)=O;COP(=O)(O)OCC(C(=O)O)N","InChI=1S/C4H10NO6P/c1-10-12(8,9)11-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1","","2009-02-27","2024-09-27","O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine",""],["33D","3,3-DIMETHYLBUTAN-1-OL","C6 H14 O","CC(C)(C)CCO;CC(C)(C)CCO","InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3","","2011-01-17","2011-07-22","3,3-dimethylbutan-1-ol",""],["OMI","1-methyl-1,2-dihydro-3H-indol-3-one","C9 H9 N O","C1N(c2c(C1=O)cccc2)C;CN1CC(=O)c2ccccc12;CN1CC(=O)c2c1cccc2","InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3","","2016-02-29","2017-03-31","1-methyl-1,2-dihydro-3H-indol-3-one","2017-04-05"],["33E","4-iodo-3-nitrobenzamide","C7 H5 I N2 O3","Ic1ccc(cc1[N+](=O)[O-])C(=O)N;NC(=O)c1ccc(I)c(c1)[N+]([O-])=O;c1cc(c(cc1C(=O)N)[N+](=O)[O-])I","InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)","Iniparib","2014-06-06","2022-10-05","4-iodo-3-nitrobenzamide","2014-10-15"],["OMJ","(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid","C21 H20 N2 O5","O=C(C1COCCN1C(=O)Cc3ccc(Oc2cc(C)c(cc2)C#N)cc3)O;Cc1cc(Oc2ccc(CC(=O)N3CCOC[CH]3C(O)=O)cc2)ccc1C#N;Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3C(=O)O","InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m0/s1","","2019-06-28","2020-05-01","(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid","2020-05-06"],["OMK","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide","C28 H26 Cl F2 N3 O","Clc5ccc(c2nc1cc(F)c(F)cc1n2C(C(=O)Nc3ccccc3C)C4CCCCC4)cc5;Cc1ccccc1NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5;Cc1ccccc1NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F","InChI=1S/C28H26ClF2N3O/c1-17-7-5-6-10-23(17)33-28(35)26(18-8-3-2-4-9-18)34-25-16-22(31)21(30)15-24(25)32-27(34)19-11-13-20(29)14-12-19/h5-7,10-16,18,26H,2-4,8-9H2,1H3,(H,33,35)/t26-/m0/s1","","2010-09-08","2011-06-04","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide",""],["33F","N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide","C29 H30 F6 N6 O6 S","O=S(=O)(c1ccc(OC(F)(F)F)cc1)N4C(C(=O)NCc2ccc(OC(F)(F)F)cc2)CN(c3nnc(C(=O)NC(C)CC)cc3)CC4;CC[CH](C)NC(=O)c1ccc(nn1)N2CCN([CH](C2)C(=O)NCc3ccc(OC(F)(F)F)cc3)[S](=O)(=O)c4ccc(OC(F)(F)F)cc4;CCC(C)NC(=O)c1ccc(nn1)N2CCN(C(C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F","InChI=1S/C29H30F6N6O6S/c1-3-18(2)37-26(42)23-12-13-25(39-38-23)40-14-15-41(48(44,45)22-10-8-21(9-11-22)47-29(33,34)35)24(17-40)27(43)36-16-19-4-6-20(7-5-19)46-28(30,31)32/h4-13,18,24H,3,14-17H2,1-2H3,(H,36,43)(H,37,42)/t18-,24+/m0/s1","","2011-02-12","2011-06-04","N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide",""],["OML","(1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol","C7 H11 F O5","OC1C(CO)=C(F)C(O)C(O)C1O;OCC1=C(F)[CH](O)[CH](O)[CH](O)[CH]1O;C(C1=C(C(C(C(C1O)O)O)O)F)O","InChI=1S/C7H11FO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h4-7,9-13H,1H2/t4-,5+,6+,7+/m1/s1","C5a-fluoro-valienide","2022-05-12","2024-09-27","(1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol","2023-04-05"],["33G","(4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","C25 H20 F N5 O","Fc1cccc(c1)c2cc(C#N)cc(c2)C4(C(C#N)=C(Oc3nnc(c34)C)N)C5CCC5;Cc1[nH]nc2OC(=C(C#N)[C](C3CCC3)(c4cc(cc(c4)c5cccc(F)c5)C#N)c12)N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N","InChI=1S/C25H20FN5O/c1-14-22-24(31-30-14)32-23(29)21(13-28)25(22,18-5-3-6-18)19-9-15(12-27)8-17(10-19)16-4-2-7-20(26)11-16/h2,4,7-11,18H,3,5-6,29H2,1H3,(H,30,31)/t25-/m0/s1","","2014-06-09","2015-03-20","(4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","2015-03-25"],["33H","3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid","C24 H33 N O5 S","O=C3N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(C2CCCCC2)COC3CC(O)C;C[CH](O)C[CH]1OC[CH](C2CCCCC2)N(C1=O)c3cc(sc3C(O)=O)C#CC(C)(C)C;CC(CC1C(=O)N(C(CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O","InChI=1S/C24H33NO5S/c1-15(26)12-20-22(27)25(19(14-30-20)16-8-6-5-7-9-16)18-13-17(10-11-24(2,3)4)31-21(18)23(28)29/h13,15-16,19-20,26H,5-9,12,14H2,1-4H3,(H,28,29)/t15-,19+,20-/m1/s1","","2014-06-09","2014-12-05","3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid","2014-12-10"],["OMM","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid","C28 H23 Cl F3 N3 O3","O=C(O)c1ccc(c(F)c1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5;OC(=O)c1ccc(NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)c(F)c1;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl","InChI=1S/C28H23ClF3N3O3/c29-18-9-6-16(7-10-18)26-33-23-13-19(30)20(31)14-24(23)35(26)25(15-4-2-1-3-5-15)27(36)34-22-11-8-17(28(37)38)12-21(22)32/h6-15,25H,1-5H2,(H,34,36)(H,37,38)/t25-/m0/s1","","2010-09-08","2011-06-04","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid",""],["33I","6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C17 H19 Cl N6 O","CC1(N)CCN(CC1)C1=Nc2[NH]nc(c2C(=O)N1)c1cccc(Cl)c1;CC1(N)CCN(CC1)C2=Nc3[nH]nc(c4cccc(Cl)c4)c3C(=O)N2;CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N","InChI=1S/C17H19ClN6O/c1-17(19)5-7-24(8-6-17)16-20-14-12(15(25)21-16)13(22-23-14)10-3-2-4-11(18)9-10/h2-4,9H,5-8,19H2,1H3,(H2,20,21,22,23,25)","","2021-06-30","2021-10-22","6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2021-10-27"],["OMN","4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL","C12 H6 Br Cl F4 N2 O2","Brc1c(nn(c1C(F)(F)F)C)c2cc(C(=O)O)c(Cl)cc2F;Cn1nc(c(Br)c1C(F)(F)F)c2cc(C(O)=O)c(Cl)cc2F;Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F","InChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22)","","2004-03-03","2011-06-04","5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid",""],["OMO","MO(VI)(=O)(OH)2 CLUSTER","H2 Mo O3","O=[Mo+6](O)O;O[Mo+6](O)=O;O[Mo+6](=O)O","InChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2","","2002-11-14","2011-06-07","dihydroxy(oxo)molybdenum(6+)",""],["33J","3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid","C21 H23 N O3 S","O=C4N(c1cc(sc1C(=O)O)c2ccccc2)C(C3CCCCC3)CC4;OC(=O)c1sc(cc1N2[CH](CCC2=O)C3CCCCC3)c4ccccc4;c1ccc(cc1)c2cc(c(s2)C(=O)O)N3C(CCC3=O)C4CCCCC4","InChI=1S/C21H23NO3S/c23-19-12-11-16(14-7-3-1-4-8-14)22(19)17-13-18(26-20(17)21(24)25)15-9-5-2-6-10-15/h2,5-6,9-10,13-14,16H,1,3-4,7-8,11-12H2,(H,24,25)/t16-/m1/s1","","2014-06-09","2014-09-12","3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid","2014-09-17"],["33K","N-benzyl-N-(carboxymethyl)glycyl-L-histidine","C17 H20 N4 O5","O=C(O)CN(Cc1ccccc1)CC(=O)NC(C(=O)O)Cc2cncn2;OC(=O)CN(CC(=O)N[CH](Cc1[nH]cnc1)C(O)=O)Cc2ccccc2;c1ccc(cc1)CN(CC(=O)NC(Cc2cnc[nH]2)C(=O)O)CC(=O)O","InChI=1S/C17H20N4O5/c22-15(20-14(17(25)26)6-13-7-18-11-19-13)9-21(10-16(23)24)8-12-4-2-1-3-5-12/h1-5,7,11,14H,6,8-10H2,(H,18,19)(H,20,22)(H,23,24)(H,25,26)/t14-/m0/s1","","2014-06-09","2015-05-08","N-benzyl-N-(carboxymethyl)glycyl-L-histidine","2015-05-13"],["OMP","OROTIDINE-5'-MONOPHOSPHATE","C10 H13 N2 O11 P","O=C(O)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O","InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2012-01-05","6-carboxyuridine 5'-(dihydrogen phosphate)",""],["OMR","[(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate","C29 H49 N5 O15 P2","OC4OC(COP(=O)(O)OP(OCC3C(C(C(n2c1ncnc(N)c1nc2)O3)O)O)(=O)O)C(O)C4OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CCCCCCCCCCCCCC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C29H49N5O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(35)48-25-23(37)19(47-29(25)39)15-45-51(42,43)49-50(40,41)44-14-18-22(36)24(38)28(46-18)34-17-33-21-26(30)31-16-32-27(21)34/h16-19,22-25,28-29,36-39H,2-15H2,1H3,(H,40,41)(H,42,43)(H2,30,31,32)/t18-,19-,22-,23-,24-,25-,28-,29+/m1/s1","","2015-03-09","2015-12-31","(2S,3R,4R,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,4-dihydroxytetrahydrofuran-3-yl tetradecanoate (non-preferred name)","2016-01-05"],["33L","N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide","C18 H21 N3 O2","O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2;NCCNC(=O)[CH](Cc1ccccc1)NC(=O)c2ccccc2;c1ccc(cc1)CC(C(=O)NCCN)NC(=O)c2ccccc2","InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1","Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form","2014-06-10","2024-09-27","N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide","2015-08-05"],["OMS","1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C38 H50 N6 O9 S","C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)OC7(C)CCC7)=O;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C38H50N6O9S/c1-23-32(40-29-19-25(51-4)13-14-27(29)39-23)52-26-20-30-31(45)42-38(34(47)43-54(49,50)37(3)17-18-37)21-24(38)11-8-6-5-7-9-12-28(33(46)44(30)22-26)41-35(48)53-36(2)15-10-16-36/h8,11,13-14,19,24,26,28,30H,5-7,9-10,12,15-18,20-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b11-8-/t24-,26-,28+,30+,38-/m1/s1","P4-2 (NR02-61)","2019-06-28","2021-03-01","1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2020-03-04"],["33M","N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine","C18 H16 N6","n1cc(cc2c1nc(nc2N)N)N(c4c3ccccc3ccc4)C;CN(c1cnc2nc(N)nc(N)c2c1)c3cccc4ccccc34;CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N","InChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23)","","2014-06-12","2015-06-05","N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine","2015-06-10"],["33N","N-(3,3-diphenylpropyl)pyridine-3-carboxamide","C21 H20 N2 O","O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3;O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3;c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3","InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)","N-(3,3-Diphenyl-propyl)-nicotinamide","2009-07-01","2021-03-13","N-(3,3-diphenylpropyl)pyridine-3-carboxamide",""],["OMT","S-DIOXYMETHIONINE","C5 H11 N O4 S","O=S(=O)(C)CCC(C(=O)O)N;C[S](=O)(=O)CC[CH](N)C(O)=O;CS(=O)(=O)CCC(C(=O)O)N","InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-(methylsulfonyl)butanoic acid",""],["33O","3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol","C26 H54 O14","O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2","Tridecaethyleneglycol","2014-06-10","2021-03-01","3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol","2015-07-29"],["OMU","O2'-METHYLURIDINE 5'-MONOPHOSPHATE","C10 H15 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2OC)COP(=O)(O)O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H15N2O9P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1","","1999-07-08","2024-09-27","2'-O-methyluridine 5'-(dihydrogen phosphate)",""],["33P","{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACID","C11 H20 N2 O9 P2","O=P(O)(O)OCc1cnc(c(O)c1CNCC(OP(=O)(O)O)C)C;C[CH](CNCc1c(O)c(C)ncc1CO[P](O)(O)=O)O[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(C)OP(=O)(O)O)O","InChI=1S/C11H20N2O9P2/c1-7(22-24(18,19)20)3-12-5-10-9(6-21-23(15,16)17)4-13-8(2)11(10)14/h4,7,12,14H,3,5-6H2,1-2H3,(H2,15,16,17)(H2,18,19,20)/t7-/m1/s1","","2002-04-15","2011-06-04","(1R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-1-methylethyl dihydrogen phosphate",""],["OMV","1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C40 H54 N6 O9 S","C4(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC6(C(C=CCCCCCC4NC(=O)OC5(CC)CCCC5)C6)C(NS(C7(CC7)C)(=O)=O)=O)=O;CCC1(CCCC1)OC(=O)N[CH]2CCCCCC=C[CH]3C[C]3(NC(=O)[CH]4C[CH](CN4C2=O)Oc5nc6cc(OC)ccc6nc5C)C(=O)N[S](=O)(=O)C7(C)CC7;CCC1(CCCC1)OC(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C40H54N6O9S/c1-5-39(17-11-12-18-39)55-37(50)43-30-14-10-8-6-7-9-13-26-23-40(26,36(49)45-56(51,52)38(3)19-20-38)44-33(47)32-22-28(24-46(32)35(30)48)54-34-25(2)41-29-16-15-27(53-4)21-31(29)42-34/h9,13,15-16,21,26,28,30,32H,5-8,10-12,14,17-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b13-9-/t26-,28-,30+,32+,40-/m1/s1","P4-5 (NR01-97)","2019-06-28","2021-03-01","1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2020-03-04"],["33R","(2E)-2-{2-[(4P)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid","C18 H12 Cl2 N4 O4 S","[O-][N+](=O)c1ccccc1C/C(=NNc1nc(cs1)c1ccc(Cl)c(Cl)c1)C(=O)O;OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc2scc(n2)c3ccc(Cl)c(Cl)c3;c1ccc(c(c1)CC(=NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)C(=O)O)[N+](=O)[O-]","InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14+","","2014-06-10","2026-04-03","(2E)-2-{2-[(4P)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid","2014-08-13"],["OMW","2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide","C15 H10 F5 N O2","NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F;c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F","InChI=1S/C15H10F5NO2/c16-10-4-5-11(13(17)12(10)14(21)22)23-7-8-2-1-3-9(6-8)15(18,19)20/h1-6H,7H2,(H2,21,22)","","2020-03-20","2021-07-23","2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide","2021-07-28"],["33S","3-iodo-L-phenylalanine","C9 H10 I N O2","Ic1cc(ccc1)CC(C(=O)O)N;N[CH](Cc1cccc(I)c1)C(O)=O;c1cc(cc(c1)I)CC(C(=O)O)N","InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2014-06-13","2024-09-27","3-iodo-L-phenylalanine","2014-11-12"],["OMX","(betaR)-beta-hydroxy-L-Tyrosine","C9 H11 N O4","O=C(O)C(N)C(O)c1ccc(O)cc1;N[CH]([CH](O)c1ccc(O)cc1)C(O)=O;c1cc(ccc1C(C(C(=O)O)N)O)O","InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1","","2010-08-10","2024-09-27","(betaR)-beta-hydroxy-L-tyrosine",""],["OMY","(betaR)-3-chloro-beta-hydroxy-L-tyrosine","C9 H10 Cl N O4","Clc1cc(ccc1O)C(O)C(C(=O)O)N;N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O;c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O","InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1","","2009-03-27","2024-09-27","(betaR)-3-chloro-beta-hydroxy-L-tyrosine",""],["33T","3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide","C19 H18 Cl F4 N3 O3 S","O=C(N)c1ccc(c(Cl)c1)S(=O)(=O)N3C(CN(c2c(cc(F)cc2)C(F)(F)F)CC3)C;C[CH]1CN(CCN1[S](=O)(=O)c2ccc(cc2Cl)C(N)=O)c3ccc(F)cc3C(F)(F)F;CC1CN(CCN1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F","InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1","","2009-05-11","2011-06-04","3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide",""],["33U","beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C28 H31 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4;N[CH](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[CH]3C(=O)NCc4ccc(cc4)C(N)=N;c1ccc(cc1)C(c2ccccc2)C(C(=O)N3CCCC3C(=O)NCc4ccc(cc4)C(=N)N)N","InChI=1S/C28H31N5O2/c29-25(24(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-17-7-12-23(33)27(34)32-18-19-13-15-22(16-14-19)26(30)31/h1-6,8-11,13-16,23-25H,7,12,17-18,29H2,(H3,30,31)(H,32,34)/t23-,25+/m0/s1","","2008-05-12","2012-01-05","beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["OMZ","(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE","C9 H10 Cl N O4","Clc1cc(ccc1O)C(O)C(C(=O)O)N;N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O;c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O","InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1","","2010-08-06","2024-09-27","(betaR)-3-chloro-beta-hydroxy-D-tyrosine",""],["ON0","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside","C30 H49 N5 O14","O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)c6ccccc6;NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH]5CO[CH](O[CH]5[CH](O)[CH]4N)c6ccccc6)[CH]2O)[CH](N)[CH](O)[CH]1O;c1ccc(cc1)C2OCC3C(O2)C(C(C(O3)OC4C(CC(C(C4OC5C(C(C(O5)CO)OC6C(C(C(C(O6)CN)O)O)N)O)O)N)N)N)O","InChI=1S/C30H49N5O14/c31-7-13-19(38)20(39)16(34)28(43-13)48-24-14(8-36)44-30(22(24)41)49-26-18(37)11(32)6-12(33)23(26)46-29-17(35)21(40)25-15(45-29)9-42-27(47-25)10-4-2-1-3-5-10/h1-5,11-30,36-41H,6-9,31-35H2/t11-,12+,13+,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1","","2012-07-26","2013-08-02","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranoside","2013-08-07"],["33V","(3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid","C13 H23 N3 O3 S2","O=C(O)C1NCC(C(SC1)C2NN3C(C2)CCSC3)CO;OC[CH]1CN[CH](CS[CH]1[CH]2C[CH]3CCSCN3N2)C(O)=O;C1CSCN2C1CC(N2)C3C(CNC(CS3)C(=O)O)CO","InChI=1S/C13H23N3O3S2/c17-5-8-4-14-11(13(18)19)6-21-12(8)10-3-9-1-2-20-7-16(9)15-10/h8-12,14-15,17H,1-7H2,(H,18,19)/t8-,9+,10-,11+,12+/m1/s1","","2014-06-13","2015-07-17","(3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid","2015-07-22"],["33W","3-(5-bromothiophen-2-yl)-L-alanine","C7 H8 Br N O2 S","Brc1sc(cc1)CC(N)C(=O)O;N[CH](Cc1sc(Br)cc1)C(O)=O;c1cc(sc1CC(C(=O)O)N)Br","InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1","","2014-06-13","2024-10-09","3-(5-bromothiophen-2-yl)-L-alanine","2014-11-12"],["ON1","2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid","C12 H8 Cl2 N2 O4","O=C(O)c1nc(nc(O)c1O)Cc2cc(Cl)c(Cl)cc2;OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O;c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl","InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18)","","2009-06-23","2011-06-04","2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid",""],["33X","N-methyl-D-alanine","C4 H9 N O2","O=C(O)C(NC)C;CN[CH](C)C(O)=O;CC(C(=O)O)NC","InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1","","2014-06-16","2024-09-27","N-methyl-D-alanine","2014-11-12"],["ON2","N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide","C16 H15 Cl2 N5 O2 S","Cc1[nH]c(C(=O)Nc2sc3cc(NC(=O)CCN)ccc3n2)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl","InChI=1S/C16H15Cl2N5O2S/c1-7-12(17)13(18)14(20-7)15(25)23-16-22-9-3-2-8(6-10(9)26-16)21-11(24)4-5-19/h2-3,6,20H,4-5,19H2,1H3,(H,21,24)(H,22,23,25)","","2020-03-20","2021-07-07","~{N}-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrole-2-carboxamide","2020-12-30"],["33Y","1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate","C25 H24 F2 N2 O3","Fc1ccc(cc1F)C(=O)N4C=C(c3c(c2ccccc2n3)C(C4)(C)C)C(=O)OC(C)C;CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3ccccc23)C(=O)c4ccc(F)c(F)c4;CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F","InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3","","2009-01-06","2011-06-04","1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate",""],["ON3","1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan\necarboxylic acid","C31 H34 O7","c1(cc(c(c(c1)OC)C)OC)C(C(COc2ccc(cc2)C3(C(O)=O)CC3)OC4Cc5c(C4)cccc5)O;COc1cc(cc(OC)c1C)[CH](O)[CH](COc2ccc(cc2)C3(CC3)C(O)=O)OC4Cc5ccccc5C4;Cc1c(cc(cc1OC)C(C(COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC","InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1","ONO-3080573","2015-03-31","2020-06-17","1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid","2015-06-03"],["33Z","(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID","C31 H38 N5 O7 P","O=C(OCc1ccccc1)NC(C(=O)NC(C(C)C)P(=O)(O)CC(c2cc(NC(=[N@H])N)ccc2)C(=O)O)Cc3ccccc3;CC(C)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)[P](O)(=O)C[CH](C(O)=O)c3cccc(NC(N)=N)c3;[H]N=C(N)Nc1cccc(c1)C(CP(=O)(C(C(C)C)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O","InChI=1S/C31H38N5O7P/c1-20(2)28(44(41,42)19-25(29(38)39)23-14-9-15-24(17-23)34-30(32)33)36-27(37)26(16-21-10-5-3-6-11-21)35-31(40)43-18-22-12-7-4-8-13-22/h3-15,17,20,25-26,28H,16,18-19H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)(H,41,42)(H4,32,33,34)/t25-,26-,28+/m0/s1","","2007-04-26","2011-06-04","(2S)-3-[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]-2-(3-carbamimidamidophenyl)propanoic acid",""],["ON4","1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C37 H48 N6 O9 S","C5(N1C(CC(C1)Oc3nc2cc(OC)ccc2nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6(C)CC6)C7)=O;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CC7)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C37H48N6O9S/c1-22-31(39-28-18-24(50-4)12-13-26(28)38-22)51-25-19-29-30(44)41-37(33(46)42-53(48,49)36(3)16-17-36)20-23(37)10-8-6-5-7-9-11-27(32(45)43(29)21-25)40-34(47)52-35(2)14-15-35/h8,10,12-13,18,23,25,27,29H,5-7,9,11,14-17,19-21H2,1-4H3,(H,40,47)(H,41,44)(H,42,46)/b10-8-/t23-,25-,27+,29+,37-/m1/s1","P4-1 (NR02-24)","2019-06-28","2021-03-01","1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2020-03-04"],["ON5","(Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid","C20 H33 Cl O4","ClC1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O;CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](Cl)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)Cl)O)O","InChI=1S/C20H33ClO4/c1-2-3-6-9-15(22)12-13-17-16(18(21)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1","","2013-09-26","2014-09-12","(5Z,9beta,11alpha,12alpha,13E,15S)-9-chloro-11,15-dihydroxyprosta-5,13-dien-1-oic acid","2014-09-17"],["340","5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE","C18 H17 N O4","O=C1c2c(C(=O)C(OC)=C1)c(c(n2C)C)COc3ccccc3;COC1=CC(=O)c2n(C)c(C)c(COc3ccccc3)c2C1=O;Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3","InChI=1S/C18H17NO4/c1-11-13(10-23-12-7-5-4-6-8-12)16-17(19(11)2)14(20)9-15(22-3)18(16)21/h4-9H,10H2,1-3H3","","2001-11-12","2011-06-04","5-methoxy-1,2-dimethyl-3-(phenoxymethyl)-1H-indole-4,7-dione",""],["341","(3,5-difluorophenyl)methanol","C7 H6 F2 O","Fc1cc(cc(F)c1)CO;OCc1cc(F)cc(F)c1;c1c(cc(cc1F)F)CO","InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2","","2008-10-02","2011-06-04","(3,5-difluorophenyl)methanol",""],["ON6","(2Z)-6-[(2,6-dichlorophenyl)methanesulfonyl]-2-[(4-hydroxy-3-nitrophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one","C22 H14 Cl2 N2 O6 S2","Clc1cccc(Cl)c1CS(=O)(=O)c1ccc2SC(=C/c3ccc(O)c(c3)[N+]([O-])=O)C(=O)Nc2c1;Oc1ccc(C=C2Sc3ccc(cc3NC2=O)[S](=O)(=O)Cc4c(Cl)cccc4Cl)cc1[N+]([O-])=O;c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)C(=Cc4ccc(c(c4)[N+](=O)[O-])O)S3)Cl","InChI=1S/C22H14Cl2N2O6S2/c23-15-2-1-3-16(24)14(15)11-34(31,32)13-5-7-20-17(10-13)25-22(28)21(33-20)9-12-4-6-19(27)18(8-12)26(29)30/h1-10,27H,11H2,(H,25,28)/b21-9-","","2020-12-16","2026-04-05","(2Z)-6-[(2,6-dichlorophenyl)methanesulfonyl]-2-[(4-hydroxy-3-nitrophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one","2021-08-11"],["342","(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE","C22 H23 N3 O3","O1c2ccc(cc2OC1)CN5CCCC(Oc4ccc(n3ccnc3)cc4)C5;C1C[CH](CN(C1)Cc2ccc3OCOc3c2)Oc4ccc(cc4)n5ccnc5;c1cc(ccc1n2ccnc2)OC3CCCN(C3)Cc4ccc5c(c4)OCO5","InChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2/t20-/m0/s1","","2007-02-07","2011-06-04","(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-1-yl)phenoxy]piperidine",""],["ON7","{1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1\nH-pyrrol-3-yl}acetic acid","C30 H35 N O7","O=C(c1c(cn(c1)CC(C(O)c2cc(OC)c(C)c(c2)OC)CC4Cc3ccccc3C4)CC(=O)O)OC;COC(=O)c1cn(C[CH](CC2Cc3ccccc3C2)[CH](O)c4cc(OC)c(C)c(OC)c4)cc1CC(O)=O;Cc1c(cc(cc1OC)C(C(CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC","InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1","ONO9780307","2015-03-31","2020-06-17","{1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid","2015-06-03"],["343","(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID","C30 H36 N5 O9 P","O=P(O)(OC(c1cccc(NC(=[N@H])N)c1)C(=O)O)C(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccc(O)cc3)C(C)C;CC(C)[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)[P](O)(=O)O[CH](C(O)=O)c3cccc(NC(N)=N)c3;[H]N=C(N)Nc1cccc(c1)C(C(=O)O)OP(=O)(C(C(C)C)NC(=O)C(Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O","InChI=1S/C30H36N5O9P/c1-18(2)27(45(41,42)44-25(28(38)39)21-9-6-10-22(16-21)33-29(31)32)35-26(37)24(15-19-11-13-23(36)14-12-19)34-30(40)43-17-20-7-4-3-5-8-20/h3-14,16,18,24-25,27,36H,15,17H2,1-2H3,(H,34,40)(H,35,37)(H,38,39)(H,41,42)(H4,31,32,33)/t24-,25-,27+/m0/s1","","2007-04-26","2011-06-04","(2S)-{[(S)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}(3-carbamimidamidophenyl)ethanoic acid",""],["ON8","1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine","C5 H12 N4 O2","N[CH](CCONC(N)=N)C=O;C(CONC(=N)N)C(C=O)N","InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1","","2020-03-20","2023-09-18","1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine","2021-02-17"],["344","6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","C9 H7 N5 O","O=C1c3c(N=C(N)N1)cc2c(ncn2)c3;NC1=Nc2cc3[nH]cnc3cc2C(=O)N1;c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N","InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)","","2005-10-18","2011-06-04","6-amino-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["ON9","3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid","C32 H37 N O8","CC(c1c(cc(cc1OC)C(C(CC2Cc3c(C2)cccc3)Cn4cc(CCC(=O)O)c(C(=O)OC)c4)O)OC)=O;COC(=O)c1cn(C[CH](CC2Cc3ccccc3C2)[CH](O)c4cc(OC)c(C(C)=O)c(OC)c4)cc1CCC(O)=O;CC(=O)c1c(cc(cc1OC)C(C(CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC","InChI=1S/C32H37NO8/c1-19(34)30-27(39-2)14-24(15-28(30)40-3)31(37)25(13-20-11-21-7-5-6-8-22(21)12-20)17-33-16-23(9-10-29(35)36)26(18-33)32(38)41-4/h5-8,14-16,18,20,25,31,37H,9-13,17H2,1-4H3,(H,35,36)/t25-,31+/m0/s1","ONO-9910539","2015-03-31","2021-03-01","3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid","2015-06-03"],["ONA","3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)","C18 H23 N6 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1","2'(3')-O-(N-METHYLANTHRANILOYL)-ADENOSINE 5'-TRIPHOSPHATE","2006-05-08","2021-03-01","3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(tetrahydrogen triphosphate)",""],["345","4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE","C19 H20 Cl N O6 S","O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3;ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2;c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO","InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H","","1999-07-08","2008-10-14","2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide",""],["346","(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID","C21 H24 F N3 O5","O=C(O)C(c2c(F)c(OC1CCOC1)cc(OCC)c2)Nc3ccc(C(=[N@H])N)cc3;CCOc1cc(O[CH]2CCOC2)c(F)c(c1)[CH](Nc3ccc(cc3)C(N)=N)C(O)=O;[H]N=C(c1ccc(cc1)NC(c2cc(cc(c2F)OC3CCOC3)OCC)C(=O)O)N","InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1","(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETIC ACID","2005-08-11","2020-06-17","(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acid",""],["ONB","5H-dibenzo[b,f]azepine","C14 H11 N","c3cc2c(C=Cc1c(cccc1)N2)cc3;N1c2ccccc2C=Cc3ccccc13;c1ccc2c(c1)C=Cc3ccccc3N2","InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H","","2011-10-20","2012-06-29","5H-dibenzo[b,f]azepine",""],["ONC","7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one","C24 H24 N4 O","Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O;Cc1ccccc1CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)n5ccnc25;Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5","InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3","","2018-06-03","2019-05-03","7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one","2019-05-08"],["347","TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE","C22 H31 N3 O6 S","O=S(=O)(c1ccc(NCC#CC)cc1)CC2(C(=O)NO)CCN(C(=O)OC(C)(C)C)CC2;CC#CCNc1ccc(cc1)[S](=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO;CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO","InChI=1S/C22H31N3O6S/c1-5-6-13-23-17-7-9-18(10-8-17)32(29,30)16-22(19(26)24-28)11-14-25(15-12-22)20(27)31-21(2,3)4/h7-10,23,28H,11-16H2,1-4H3,(H,24,26)","","2007-04-26","2011-06-04","tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate",""],["OND","4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide","C21 H17 N3 O2 S2","C(N)(c4cc3c(c1ccc(s1)C(NCc2c(cccc2)N)=O)cccc3s4)=O;NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1;c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N","InChI=1S/C21H17N3O2S2/c22-15-6-2-1-4-12(15)11-24-21(26)18-9-8-17(27-18)13-5-3-7-16-14(13)10-19(28-16)20(23)25/h1-10H,11,22H2,(H2,23,25)(H,24,26)","","2019-07-01","2019-08-23","4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide","2019-08-28"],["348","4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE","C27 H34 N4 O2","O=C3N(C(C4C1N(CCC1)C(c2ccc(C(=[N@H])N)cc2)C34)C(C)C)Cc5ccc(OC)cc5;COc1ccc(CN2[CH](C(C)C)[CH]3[CH]4CCCN4[CH]([CH]3C2=O)c5ccc(cc5)C(N)=N)cc1;[H]N=C(c1ccc(cc1)C2C3C(C4N2CCC4)C(N(C3=O)Cc5ccc(cc5)OC)C(C)C)N","InChI=1S/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21-,22-,23-,24+,25-/m0/s1","","2006-02-17","2011-06-04","4-[(1R,3aS,4R,8aS,8bR)-2-(4-methoxybenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["ONE","1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-ONE-5'-PHOSPHATE","C10 H14 N O8 P","O=C1C=CN(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)C=C2;C1=CN(C=CC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H14NO8P/c12-6-1-3-11(4-2-6)10-9(14)8(13)7(19-10)5-18-20(15,16)17/h1-4,7-10,13-14H,5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1","","2000-03-09","2011-06-04","1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-4(1H)-one",""],["349","5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one","C24 H21 F3 N6 O3 S","O=S(=O)(c1ccccc1CNc2nc(ncc2C(F)(F)F)NC=4C=CC3=NC(=O)C=C3C=4)N5CCCC5;FC(F)(F)c1cnc(NC2=CC3=CC(=O)N=C3C=C2)nc1NCc4ccccc4[S](=O)(=O)N5CCCC5;c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5","InChI=1S/C24H21F3N6O3S/c25-24(26,27)18-14-29-23(30-17-7-8-19-16(11-17)12-21(34)31-19)32-22(18)28-13-15-5-1-2-6-20(15)37(35,36)33-9-3-4-10-33/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H2,28,29,30,32)","","2008-10-15","2011-06-04","5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2H-indol-2-one",""],["ONF","11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid","C15 H23 N O3","OC(=O)CCCCCCCCCC(=O)c1[nH]ccc1;c1cc([nH]c1)C(=O)CCCCCCCCCC(=O)O","InChI=1S/C15H23NO3/c17-14(13-9-8-12-16-13)10-6-4-2-1-3-5-7-11-15(18)19/h8-9,12,16H,1-7,10-11H2,(H,18,19)","","2023-02-08","2023-02-17","11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid","2023-02-22"],["34A","3,4-DIMETHYLANILINE","C8 H11 N","Nc1cc(c(cc1)C)C;Cc1ccc(N)cc1C;Cc1ccc(cc1C)N","InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3","","2002-03-19","2011-06-04","3,4-dimethylaniline",""],["34B","2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE","C8 H20 B10 N4","n1c(c(c(nc1N)N)CC%17%18%19%20B7%169B26%14B345B2%15%12B3%13%10B4%118B567C89%20B%10%11%19B%12%13%18B%14%15%16%17)C;Cc1nc(N)nc(N)c1C[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]69%15[BH]%12%16%17[BH]%13%18%19[BH]%10%14%20[BH]27%11[BH]3%18%20[CH]4%16%19[BH]58%15%17;[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C","InChI=1S/C8H20B10N4/c1-3-4(5(19)22-6(20)21-3)2-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h7,9-18H,2H2,1H3,(H4,19,20,21,22)","","2005-09-29","2023-09-23","",""],["ONG","{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone","C23 H19 N O4 S","c54CN(C(c1cc(c(cc1)O)Sc2cc3c(cc2)OCCO3)=O)Cc4cccc5;Oc1ccc(cc1Sc2ccc3OCCOc3c2)C(=O)N4Cc5ccccc5C4;c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O","InChI=1S/C23H19NO4S/c25-19-7-5-15(23(26)24-13-16-3-1-2-4-17(16)14-24)11-22(19)29-18-6-8-20-21(12-18)28-10-9-27-20/h1-8,11-12,25H,9-10,13-14H2","","2019-07-01","2021-02-26","{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone","2021-03-03"],["34C","(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID","C11 H13 Cl O3","Clc1cc(ccc1OCCC)CC(=O)O;CCCOc1ccc(CC(O)=O)cc1Cl;CCCOc1ccc(cc1Cl)CC(=O)O","InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14)","","2001-01-03","2011-06-04","(3-chloro-4-propoxyphenyl)acetic acid",""],["ONH","N~5~-hydroxy-L-ornithine","C5 H12 N2 O3","O=C(O)C(N)CCCNO;N[CH](CCCNO)C(O)=O;C(CC(C(=O)O)N)CNO","InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1","","2011-06-02","2024-09-27","N~5~-hydroxy-L-ornithine",""],["ONJ","(1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone","C23 H21 N O2 S","c1(cc(c(cc1)O)Sc2cc(c(cc2)C)C)C(N3Cc4c(C3)cccc4)=O;Cc1ccc(Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3)cc1C;Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3","InChI=1S/C23H21NO2S/c1-15-7-9-20(11-16(15)2)27-22-12-17(8-10-21(22)25)23(26)24-13-18-5-3-4-6-19(18)14-24/h3-12,25H,13-14H2,1-2H3","","2019-07-01","2021-02-26","(1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone","2021-03-03"],["34D","3,5-DIHYDROXYBENZOATE","C7 H6 O4","O=C(O)c1cc(O)cc(O)c1;OC(=O)c1cc(O)cc(O)c1;c1c(cc(cc1O)O)C(=O)O","InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)","","2005-07-25","2011-06-04","3,5-dihydroxybenzoic acid",""],["34E","(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine","C13 H27 N3 O3","O=C(O)C(NC)C(C)CN1CCN(CCOC)CC1;CN[CH]([CH](C)CN1CCN(CCOC)CC1)C(O)=O;CC(CN1CCN(CC1)CCOC)C(C(=O)O)NC","InChI=1S/C13H27N3O3/c1-11(12(14-2)13(17)18)10-16-6-4-15(5-7-16)8-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,17,18)/t11-,12+/m1/s1","","2014-06-16","2024-09-27","(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine","2014-11-12"],["ONK","N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","C27 H50 N4 O5","O=C(NC(CC(C)C)C(O)C(=C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C;CCCCCC(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C)C(=O)N[CH](CC(C)C)[CH](O)C(C)=C;CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N(C)C)C(=O)NC(CC(C)C)C(C(=C)C)O","InChI=1S/C27H50N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-18,20-21,24-25,34H,6,10-16H2,1-5,7-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1","vinylketone carmaphycin analogue VNK1, single bound form","2012-11-01","2024-09-27","N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","2014-01-29"],["ONL","5-OXO-L-NORLEUCINE","C6 H11 N O3","O=C(CCC(N)C(=O)O)C;CC(=O)CC[CH](N)C(O)=O;CC(=O)CCC(C(=O)O)N","InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1","","1999-07-08","2024-09-27","5-oxo-L-norleucine",""],["34F","(1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID","C10 H12 Cl2 N O5 P","ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C=O;c1cc(c(cc1C(CCN(C=O)O)P(=O)(O)O)Cl)Cl","InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)/t10-/m0/s1","","2010-12-08","2011-06-24","[(1S)-1-(3,4-dichlorophenyl)-3-(hydroxy-methanoyl-amino)propyl]phosphonic acid",""],["ONM","3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE","C18 H23 N6 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=C(NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C18H23N6O15P3/c1-20-9-5-3-2-4-8(9)17(27)37-13-10(6-35-41(31,32)39-42(33,34)38-40(28,29)30)36-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1","","2004-07-08","2011-06-04","3'-O-{[2-(methylamino)phenyl]carbonyl}guanosine 5'-(tetrahydrogen triphosphate)",""],["34G","emetine","C29 H40 N2 O4","O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C;CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(OC)c(OC)cc45;CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)OC)OC)OC)OC","InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1","(3beta,14beta)-6',7',10,11-tetramethoxyemetan","2014-06-16","2020-06-17","(3beta,14beta)-6',7',10,11-tetramethoxyemetan","2014-07-16"],["ONN","2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid","C26 H32 N4 O6 S2","N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O;c1ccc(c(c1)CC(=O)O)CNC(=O)C2CSSCCC(C(=O)NC(CC(=O)N2)Cc3ccc(cc3)O)N","InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1","","2020-03-21","2020-07-17","2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid","2020-07-22"],["34H","(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID","C9 H10 O4","O=C(O)C(O)Cc1ccc(O)cc1;O[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)O)O","InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1","","2010-07-21","2024-09-27","(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid",""],["ONO","2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID","C28 H31 N5 O6","O=CC(NC(=O)c3ccc(c1c(nc(OC)cc1)C(=O)Nc2ccc(cc2)C(N)N)c(C(=O)O)c3)C(C)(C)C;COc1ccc(c2ccc(cc2C(O)=O)C(=O)N[CH](C=O)C(C)(C)C)c(n1)C(=O)Nc3ccc(cc3)C(N)N;CC(C)(C)C(C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC","InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-14,21,24H,29-30H2,1-4H3,(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1","","2005-10-11","2025-03-27","2-(2-{[4-(diaminomethyl)phenyl]carbamoyl}-6-methoxypyridin-3-yl)-5-{[(1S)-1-formyl-2,2-dimethylpropyl]carbamoyl}benzoic acid",""],["34I","N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide","C18 H14 N6 O2 S","N#Cc2c(c1ncnn1)c(sc2)NC(=O)CN4c3ccccc3CCC4=O;O=C(CN1C(=O)CCc2ccccc12)Nc3scc(C#N)c3c4[nH]ncn4;c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4","InChI=1S/C18H14N6O2S/c19-7-12-9-27-18(16(12)17-20-10-21-23-17)22-14(25)8-24-13-4-2-1-3-11(13)5-6-15(24)26/h1-4,9-10H,5-6,8H2,(H,22,25)(H,20,21,23)","","2011-05-31","2013-05-03","N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide","2013-05-08"],["ONP","O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE","C8 H11 Be F3 N2 O9 P2","O[P](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F;[Be-](OP(=O)(O)OP(=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F","InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-4-2-1-3-7(8)9-5-6-18-21(16,17)19-20(13,14)15;;;;/h1-4,9H,5-6H2,(H,16,17)(H2,13,14,15);;3*1H/q;+3;;;/p-4","","1999-09-22","2011-06-04","trifluoro-[hydroxy-[hydroxy-[2-[(2-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium",""],["34J","(2S)-3-(4-amino-3-nitrophenyl)-2-{2-[(4P)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-yl}propanoic acid","C18 H15 Cl2 N5 O4 S","[O-][N+](=O)c1cc(CC(NNc2nc(cs2)c2ccc(Cl)c(Cl)c2)C(=O)O)ccc1N;Nc1ccc(C[CH](NNc2scc(n2)c3ccc(Cl)c(Cl)c3)C(O)=O)cc1[N+]([O-])=O;c1cc(c(cc1CC(C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)[N+](=O)[O-])N","InChI=1S/C18H15Cl2N5O4S/c19-11-3-2-10(7-12(11)20)15-8-30-18(22-15)24-23-14(17(26)27)5-9-1-4-13(21)16(6-9)25(28)29/h1-4,6-8,14,23H,5,21H2,(H,22,24)(H,26,27)/t14-/m0/s1","","2014-06-16","2026-04-03","(2S)-3-(4-amino-3-nitrophenyl)-2-{2-[(4P)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-yl}propanoic acid","2014-08-13"],["34K","(2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid","C18 H13 Br N4 O4 S","[O-][N+](=O)c1ccccc1C/C(=NNc1nc(cs1)c1ccc(Br)cc1)C(=O)O;OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc2scc(n2)c3ccc(Br)cc3;c1ccc(c(c1)CC(=NNc2nc(cs2)c3ccc(cc3)Br)C(=O)O)[N+](=O)[O-]","InChI=1S/C18H13BrN4O4S/c19-13-7-5-11(6-8-13)15-10-28-18(20-15)22-21-14(17(24)25)9-12-3-1-2-4-16(12)23(26)27/h1-8,10H,9H2,(H,20,22)(H,24,25)/b21-14+","","2014-06-16","2026-04-03","(2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid","2014-08-13"],["ONQ","~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide","C10 H12 N2 O3","COc1ccc(cc1)C(=O)NCC(N)=O;COc1ccc(cc1)C(=O)NCC(=O)N","InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)","","2020-03-23","2020-05-01","~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide","2020-05-06"],["34L","(8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one","C13 H8 N4 O S","O=C1Nc4c(C/1=Cc2cncn2)c3scnc3cc4;O=C1Nc2ccc3ncsc3c2C1=Cc4[nH]cnc4;c1cc2c(c3c1ncs3)C(=Cc4cnc[nH]4)C(=O)N2","InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-","","2014-06-17","2015-06-26","(8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one","2015-07-01"],["ONR","4-chloro-2-isoxazol-5-yl-phenol","C9 H6 Cl N O2","Oc1ccc(Cl)cc1c2oncc2;c1cc(c(cc1Cl)c2ccno2)O","InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H","","2015-03-09","2015-05-08","4-chloranyl-2-(1,2-oxazol-5-yl)phenol","2015-05-13"],["34M","3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole","C20 H19 N5 O3 S","n1c(onc1c2ccc(OC)cc2)CSc4nnc(n4c3ccc(OC)cc3)C;COc1ccc(cc1)n2c(C)nnc2SCc3onc(n3)c4ccc(OC)cc4;Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC","InChI=1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3","","2011-11-04","2012-01-27","3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole",""],["ONS","(2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid","C26 H21 Cl2 N3 O4","OC(=O)C(c1cccnc1)c2ccc(cc2)C5(NC(c3cc4c(n3C)ccc(c4Cl)Cl)=O)COC5;Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC3(COC3)c4ccc(cc4)[CH](C(O)=O)c5cccnc5;Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)C(c5cccnc5)C(=O)O)Cl)Cl","InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)/t22-/m0/s1","","2019-07-01","2019-07-19","(2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid","2019-07-24"],["34N","4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide","C24 H21 F N2 O3 S","O=S(=O)(c1ccc(cc1)C(c2ccc(F)cc2)CCNC(=O)c3ccc(C#N)cc3)C;C[S](=O)(=O)c1ccc(cc1)[CH](CCNC(=O)c2ccc(cc2)C#N)c3ccc(F)cc3;CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F","InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1","","2009-07-01","2011-06-04","4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide",""],["ONT","(2~{S})-1-(2-methoxyethoxy)propan-2-amine","C6 H15 N O2","COCCOC[CH](C)N;CC(COCCOC)N","InChI=1S/C6H15NO2/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1","Jeffamine","2020-03-23","2021-01-15","(2~{S})-1-(2-methoxyethoxy)propan-2-amine","2021-01-20"],["34O","2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole","C17 H13 F N2 O4 S","Fc1c(OC)ccc(c1)CSc2nnc(o2)c3ccc4OCOc4c3;COc1ccc(CSc2oc(nn2)c3ccc4OCOc4c3)cc1F;COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4","InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3","","2008-11-13","2011-06-04","2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole",""],["ONU","4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one","C20 H19 N3 O3","O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1;COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34;COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4","InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24)","","2023-08-17","2023-11-03","4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one","2023-11-08"],["ONV","4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid","C22 H20 Cl N3 O7","C4(COc1c(Cl)cc3c(c1)nc(C(NC(c2ccc(C(=O)O)cc2)CO)=O)c3)CNC(O4)=O;OC[CH](NC(=O)c1[nH]c2cc(OC[CH]3CNC(=O)O3)c(Cl)cc2c1)c4ccc(cc4)C(O)=O;c1cc(ccc1C(CO)NC(=O)c2cc3cc(c(cc3[nH]2)OCC4CNC(=O)O4)Cl)C(=O)O","InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1","","2019-07-01","2019-07-19","4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid","2019-07-24"],["34P","N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE","C21 H32 N6 O4 S","O=C(NCc1nc(cs1)C(=[N@H])N)C3N(C(=O)C(NCC(=O)O)CC2CCCCC2)CCC3;NC(=N)c1csc(CNC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)NCC(O)=O)n1;c1c(nc(s1)CNC(=O)C2CCCN2C(=O)C(CC3CCCCC3)NCC(=O)O)C(=N)N","InChI=1S/C21H32N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h12-14,16,24H,1-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1","","2006-01-06","2012-01-05","N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide",""],["ONW","(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine","C9 H21 N O3","COCCOC[CH](C)OC[CH](C)N;CC(COC(C)COCCOC)N","InChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9-/m1/s1","Jeffamine","2020-03-23","2021-01-15","(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine","2021-01-20"],["34Q","(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine","C18 H21 N5 O2","O=C(N1CCCC1)C4C(N)CN(C(=O)c2nc3c(nc2)cccc3)C4;N[CH]1CN(C[CH]1C(=O)N2CCCC2)C(=O)c3cnc4ccccc4n3;c1ccc2c(c1)ncc(n2)C(=O)N3CC(C(C3)N)C(=O)N4CCCC4","InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1","","2008-02-06","2011-06-04","(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine",""],["ONX","N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide","C40 H79 N O2","CCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(=O)NC(C)C(C=CCCCCCCCCCCCCCCC)O","InChI=1S/C40H79NO2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h34,36,38-39,42H,4-33,35,37H2,1-3H3,(H,41,43)/b36-34+/t38-,39+/m1/s1","","2015-09-30","2016-03-18","N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide","2016-03-23"],["34R","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one","C30 H28 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3c5ccccc5)c1OC;COc1cc(cc(c1OC)C=CC(=O)N2C(c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N","InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m1/s1","(R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one","2012-04-17","2021-03-13","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["ONY","2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide","C22 H22 N4 O3","CN(CCc1noc(n1)C)C(=O)Cc2ccc(cc2)Oc3cc(c(cc3)C#N)C;CN(CCc1noc(C)n1)C(=O)Cc2ccc(Oc3ccc(C#N)c(C)c3)cc2;Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C","InChI=1S/C22H22N4O3/c1-15-12-20(9-6-18(15)14-23)28-19-7-4-17(5-8-19)13-22(27)26(3)11-10-21-24-16(2)29-25-21/h4-9,12H,10-11,13H2,1-3H3","","2019-07-01","2020-05-01","2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide","2020-05-06"],["34S","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one","C30 H28 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3c5ccccc5)c1OC;COc1cc(cc(c1OC)C=CC(=O)N2C(c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N","InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m0/s1","(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one","2012-04-17","2021-03-13","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["34T","(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline","C10 H13 N O2 S","C[CH]1CNc2c(C1)cccc2[SH](=O)=O;CC1Cc2cccc(c2NC1)S(=O)=O","InChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11,14H,5-6H2,1H3/t7-/m1/s1","","2008-10-31","2011-06-04","(3R)-8-hydrosulfonyl-3-methyl-1,2,3,4-tetrahydroquinoline",""],["ONZ","2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid","C10 H9 N O5","O=C(O)CNC(=O)c1cccc2OCOc12;OC(=O)CNC(=O)c1cccc2OCOc12;c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O","InChI=1S/C10H9NO5/c12-8(13)4-11-10(14)6-2-1-3-7-9(6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)","","2013-12-04","2014-09-05","N-(1,3-benzodioxol-4-ylcarbonyl)glycine","2013-12-11"],["OO0","ALLIIN","C6 H11 N O3 S","N[CH](C[S](=O)CC=C)C(O)=O;C=CCS(=O)CC(C(=O)O)N","InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1","2-azanyl-3-prop-2-enylsulfinyl-propanoic acid","2024-01-22","2024-11-15","2-azanyl-3-prop-2-enylsulfinyl-propanoic acid","2024-11-20"],["34U","1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine","C24 H27 N5 O2","O(C)CCOc1cc2ncn(c2cc1)c4nc3c(cccc3cc4)N5CCC(N)CC5;COCCOc1ccc2n(cnc2c1)c3ccc4cccc(N5CCC(N)CC5)c4n3;COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N","InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3","","2014-06-17","2015-06-26","1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine","2015-07-01"],["OO1","(4-methylphenyl)carbamic acid","C8 H9 N O2","C(O)(=O)Nc1ccc(cc1)C;Cc1ccc(NC(O)=O)cc1;Cc1ccc(cc1)NC(=O)O","InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)9-8(10)11/h2-5,9H,1H3,(H,10,11)","","2019-07-01","2024-09-27","(4-methylphenyl)carbamic acid","2019-11-06"],["34V","beta-L-ribulofuranose","C5 H10 O5","OCC1(O)OCC(O)C1O;OC[C]1(O)OC[CH](O)[CH]1O;C1C(C(C(O1)(CO)O)O)O","InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5-/m0/s1","beta-L-ribulose; L-ribulose; ribulose","2014-06-17","2020-07-17","beta-L-ribulofuranose","2014-09-03"],["34W","N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide","C23 H25 F3 N6 O2","FC(F)(F)c1c(nc(nc1)Nc2cc3c(cc2)C4N(C(=O)CNC(=O)C)C3CC4)NC5CCC5;CC(=O)NCC(=O)N1[CH]2CC[CH]1c3cc(Nc4ncc(c(NC5CCC5)n4)C(F)(F)F)ccc23;CC(=O)NCC(=O)N1C2CCC1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F","InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1","","2014-06-18","2015-06-26","N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide","2015-07-01"],["OO2","[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid","C16 H23 Cl N5 O7 P","O[CH]1[CH](O)[CH](O[CH]1COC[P](O)(O)=O)n2cnc3c(NC4CCCC4)nc(Cl)nc23;c1nc2c(nc(nc2n1C3C(C(C(O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4","InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)10-14(21-16)22(6-18-10)15-12(24)11(23)9(29-15)5-28-7-30(25,26)27/h6,8-9,11-12,15,23-24H,1-5,7H2,(H,19,20,21)(H2,25,26,27)/t9-,11-,12-,15-/m1/s1","","2020-03-23","2021-01-15","[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid","2021-01-20"],["OO4","methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate","C32 H41 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C5CC5)NC(OC)=O;COC(=O)N[CH](C1CC1)C(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45;COC(=O)NC(C1CC1)C(=O)NC(Cc2ccccc2)C(CC(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C32H41N3O8/c1-40-31(38)35-28(22-12-13-22)29(37)34-25(17-21-10-6-3-7-11-21)26(36)18-23(16-20-8-4-2-5-9-20)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h2-11,22-28,30,36H,12-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1","","2019-07-02","2020-06-26","methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate","2020-07-01"],["34X","1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA","C16 H14 F N5 O","O=C(Nn1cc(nc1N)c2ccccc2)Nc3ccccc3F;Nc1nc(cn1NC(=O)Nc2ccccc2F)c3ccccc3;c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F","InChI=1S/C16H14FN5O/c17-12-8-4-5-9-13(12)20-16(23)21-22-10-14(19-15(22)18)11-6-2-1-3-7-11/h1-10H,(H2,18,19)(H2,20,21,23)","","2013-05-18","2014-09-05","1-(2-amino-4-phenyl-1H-imidazol-1-yl)-3-(2-fluorophenyl)urea","2013-09-18"],["34Y","4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide","C30 H36 N8 O3","C(c5onc(NC(Nc1ccc(cc1C)c4cc(NC(=O)c2ccc(cc2)CN3CCN(CC3)C)nn4)=O)c5)(C)C;CC(C)c1onc(NC(=O)Nc2ccc(cc2C)c3cc([nH]n3)NC(=O)c4ccc(CN5CCN(C)CC5)cc4)c1;Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)","","2016-03-24","2016-05-13","4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide","2016-05-18"],["OO5","[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid","C16 H23 Cl N5 O7 P","O[CH]1[CH](O)[CH](O[CH]1COC[P](O)(O)=O)n2ncc3c(NC4CCCC4)nc(Cl)nc23;c1c2c(nc(nc2n(n1)C3C(C(C(O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4","InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1","","2020-03-23","2021-01-15","[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid","2021-01-20"],["34Z","3,4-dichlorobenzoate","C7 H4 Cl2 O2","Clc1ccc(C(=O)O)cc1Cl;OC(=O)c1ccc(Cl)c(Cl)c1;c1cc(c(cc1C(=O)O)Cl)Cl","InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)","","2007-10-29","2011-06-04","3,4-dichlorobenzoic acid",""],["OO6","(3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H17 Cl N2 O2","Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21;C[CH]1COc2ccc(Cl)cc2[CH]1C(=O)Nc3cncc4ccccc34;CC1COc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19-/m1/s1","","2023-08-17","2023-11-03","(3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["OO7","N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea","C24 H22 F3 N5 O3","C(F)(F)(F)Oc4c(CNC(Nc2c(c1ccccc1)nc3n2ccnc3C)=O)cc(cc4)COC;COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2n3ccnc(C)c3nc2c4ccccc4)c1;Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4","InChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33)","","2019-07-02","2020-06-26","N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea","2020-07-01"],["351","1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea","C33 H27 N5 O2","O=C(Nc2ccccc2Oc1ccccc1)Nc6cccc(c4c3cc(cnc3nc4)c5ccc(cc5)CN)c6;NCc1ccc(cc1)c2cnc3[nH]cc(c4cccc(NC(=O)Nc5ccccc5Oc6ccccc6)c4)c3c2;c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN","InChI=1S/C33H27N5O2/c34-19-22-13-15-23(16-14-22)25-18-28-29(21-36-32(28)35-20-25)24-7-6-8-26(17-24)37-33(39)38-30-11-4-5-12-31(30)40-27-9-2-1-3-10-27/h1-18,20-21H,19,34H2,(H,35,36)(H2,37,38,39)","","2008-10-16","2011-06-04","1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea",""],["OO8","[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid","C15 H16 N O5 P","O[P](O)(=O)c1ccccc1OCC(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O","InChI=1S/C15H16NO5P/c17-15(16-10-12-6-2-1-3-7-12)11-21-13-8-4-5-9-14(13)22(18,19)20/h1-9H,10-11H2,(H,16,17)(H2,18,19,20)","","2020-03-24","2021-03-26","[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid","2021-03-31"],["352","(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one","C15 H19 F N2 O2 S","O=C1N=C(SC1(C)C(O)(C)C)NC(c2ccc(F)cc2)C;C[CH](NC1=NC(=O)[C](C)(S1)C(C)(C)O)c2ccc(F)cc2;CC(c1ccc(cc1)F)NC2=NC(=O)C(S2)(C)C(C)(C)O","InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1","","2008-10-24","2011-06-04","(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one",""],["OO9","oxidanyl dihydrogen phosphate","H3 O5 P","OO[P](O)(O)=O;OOP(=O)(O)O","InChI=1S/H3O5P/c1-5-6(2,3)4/h1H,(H2,2,3,4)","","2022-05-12","2022-08-05","oxidanyl dihydrogen phosphate","2022-08-10"],["353","N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","C25 H19 Cl F2 N4 O4","Clc4c(nccc4Oc1ccc(cc1F)NC(=O)C3=C(OCC)C=CN(c2ccc(F)cc2)C3=O)N;CCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)C(=O)N(C=C1)c4ccc(F)cc4;CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N","InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)","","2008-11-20","2011-06-04","N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide",""],["OOA","3-OXOOCTANOIC ACID","C8 H14 O3","O=C(O)CC(=O)CCCCC;CCCCCC(=O)CC(O)=O;CCCCCC(=O)CC(=O)O","InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)","","2002-06-25","2011-06-04","3-oxooctanoic acid",""],["354","N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID","C20 H23 N5 O8 S","O=C(O)C(NC(O)c1ccc(cc1)NS(O)(O)c3cc2c(nc(nc2O)N)cc3)CCC(=O)O;Nc1nc(O)c2cc(ccc2n1)[S](O)(O)Nc3ccc(cc3)[CH](O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(NC(CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O","InChI=1S/C20H23N5O8S/c21-20-23-14-6-5-12(9-13(14)18(29)24-20)34(32,33)25-11-3-1-10(2-4-11)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,17,22,25,28,32-33H,7-8H2,(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-,17?/m0/s1","","2003-04-24","2011-06-04","N-[(S)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-L-glutamic acid",""],["355","trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide","C33 H33 N5 O4","O=C(NCc1ccccc1)C2CCC(CC2)CN4C(=O)c3c(cccc3)N(C4=O)CC=5N=C6C=CC=C(N6C(=O)C=5)C;CC1=CC=CC2=NC(=CC(=O)N12)CN3C(=O)N(C[CH]4CC[CH](CC4)C(=O)NCc5ccccc5)C(=O)c6ccccc36;CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6","InChI=1S/C33H33N5O4/c1-22-8-7-13-29-35-26(18-30(39)38(22)29)21-36-28-12-6-5-11-27(28)32(41)37(33(36)42)20-24-14-16-25(17-15-24)31(40)34-19-23-9-3-2-4-10-23/h2-13,18,24-25H,14-17,19-21H2,1H3,(H,34,40)/t24-,25-","","2014-06-18","2015-05-15","trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide","2015-05-20"],["OOB","5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine","C17 H18 N5 O8 P","C(=O)(OP(=O)(O)OCC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)c4ccccc4;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)c4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H18N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,26,27)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1","","2015-05-04","2015-09-25","5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine","2015-09-30"],["356","8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d\nione","C25 H28 N8 O2","O=C2N(c1nc(n(c1C(=O)N2Cc4nc3ccccc3c(n4)C)CC#CC)N5CCCC(N)C5)C;CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[CH](N)C5;CC#CCn1c2c(nc1N3CCCC(C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C","InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1","Linagliptin","2007-10-10","2020-06-17","8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione",""],["OOC","octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside","C20 H38 O10 S","S(CCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCS[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14-,15+,16-,17+,18-,19+,20+/m1/s1","N-BETA-OCTYL-THIO-MALTOSIDE","2014-04-16","2021-03-01","octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside","2014-12-17"],["357","5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE","C20 H28 N2 O2","O=C1C(N(C)CCOC)=C(C(=C(N1)C)CC)Cc2cccc(c2)C;CCC1=C(C)NC(=O)C(=C1Cc2cccc(C)c2)N(C)CCOC;CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)N(C)CCOC)C","InChI=1S/C20H28N2O2/c1-6-17-15(3)21-20(23)19(22(4)10-11-24-5)18(17)13-16-9-7-8-14(2)12-16/h7-9,12H,6,10-11,13H2,1-5H3,(H,21,23)","","2005-10-21","2011-06-04","5-ethyl-3-[(2-methoxyethyl)(methyl)amino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1H)-one",""],["OOD","2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate","C23 H23 N7 O3","C(=O)(OCC(Nc1n(nc(C(C)(C)C)c1)c2ccccc2)=O)c3ccc(cc3)n4cnnn4;CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)n3cnnn3)n(n1)c4ccccc4;CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4","InChI=1S/C23H23N7O3/c1-23(2,3)19-13-20(30(26-19)18-7-5-4-6-8-18)25-21(31)14-33-22(32)16-9-11-17(12-10-16)29-15-24-27-28-29/h4-13,15H,14H2,1-3H3,(H,25,31)","","2019-07-02","2019-08-30","2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate","2019-09-04"],["OOE","2',2'-difluoro-3',3'-cGAMP","C20 H22 F2 N10 O11 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5F)n6cnc7c6N=C(NC7=O)N)O)F)N","InChI=1S/C20H22F2N10O11P2/c21-8-12-6(40-18(8)31-4-27-10-14(23)25-3-26-15(10)31)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(9(13)22)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-\n3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azan\nyl-1~{H}-purin-6-one","2020-03-24","2021-03-26","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azanyl-1~{H}-purin-6-one","2021-03-31"],["358","1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE","C26 H22 Cl2 F2 N2 O","Fc1ccc(c(F)c1)c2cc(cc3c2CCC(=O)N3c4c(Cl)cccc4Cl)C5CCNCC5;Fc1ccc(c(F)c1)c2cc(cc3N(C(=O)CCc23)c4c(Cl)cccc4Cl)C5CCNCC5;c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl","InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2","","2003-03-27","2011-06-04","1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1H)-one",""],["OOF","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid","C28 H24 Cl F2 N3 O3","O=C(O)c1ccc(cc1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5;OC(=O)c1ccc(NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)cc1;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl","InChI=1S/C28H24ClF2N3O3/c29-19-10-6-17(7-11-19)26-33-23-14-21(30)22(31)15-24(23)34(26)25(16-4-2-1-3-5-16)27(35)32-20-12-8-18(9-13-20)28(36)37/h6-16,25H,1-5H2,(H,32,35)(H,36,37)/t25-/m0/s1","","2010-09-08","2011-06-04","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid",""],["359","3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid","C34 H39 N7 O8 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc4c3cc(OCc2cc(C(=O)O)ccc2)ccc3nc4)CCC(=O)N;CC[S](=O)(=O)N[CH](Cc1c[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc12)C(=O)N[CH](CCC(N)=O)C(=O)NCc4ccc(cc4)C(N)=N;[H]N=C(c1ccc(cc1)CNC(=O)C(CCC(=O)N)NC(=O)C(Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)N","InChI=1S/C34H39N7O8S/c1-2-50(47,48)41-29(33(44)40-28(12-13-30(35)42)32(43)39-17-20-6-8-22(9-7-20)31(36)37)15-24-18-38-27-11-10-25(16-26(24)27)49-19-21-4-3-5-23(14-21)34(45)46/h3-11,14,16,18,28-29,38,41H,2,12-13,15,17,19H2,1H3,(H2,35,42)(H3,36,37)(H,39,43)(H,40,44)(H,45,46)/t28-,29+/m0/s1","","2009-02-27","2011-06-04","5-[(3-carboxybenzyl)oxy]-N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide",""],["OOG","2-OXOADIPIC ACID","C6 H8 O5","O=C(C(=O)O)CCCC(=O)O;OC(=O)CCCC(=O)C(O)=O;C(CC(=O)C(=O)O)CC(=O)O","InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)","","2015-01-21","2024-09-27","2-oxohexanedioic acid","2015-01-28"],["35A","N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE","C24 H33 N3 O4 S","O=S(=O)(N(c1nc3cc(c1)COC(=O)C(N)(C)Cc2cccc(c2)CCC(CC3)C)C)C;C[CH]1CCc2cccc(C[C](C)(N)C(=O)OCc3cc(CC1)nc(c3)N(C)[S](C)(=O)=O)c2;CC1CCc2cccc(c2)CC(C(=O)OCc3cc(nc(c3)N(C)S(=O)(=O)C)CC1)(C)N","InChI=1S/C24H33N3O4S/c1-17-8-10-18-6-5-7-19(12-18)15-24(2,25)23(28)31-16-20-13-21(11-9-17)26-22(14-20)27(3)32(4,29)30/h5-7,12-14,17H,8-11,15-16,25H2,1-4H3/t17-,24-/m1/s1","","2007-05-25","2011-06-04","N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide",""],["OOH","3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione","C15 H14 O7","CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O;CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O","InChI=1S/C15H14O7/c1-2-3-4-6(16)10-13(20)9-7(17)5-8(18)12(19)11(9)15(22)14(10)21/h5,17-19,21H,2-4H2,1H3","","2020-03-25","2020-09-04","3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione","2020-09-09"],["35B","4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid","C21 H23 Br N2 O6 S","O=C(NC)N(c1cccc(c1)c2sc(c(OCC(=O)O)c2Br)C(=O)O)C3CCCCC3;CNC(=O)N(C1CCCCC1)c2cccc(c2)c3sc(C(O)=O)c(OCC(O)=O)c3Br;CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3","InChI=1S/C21H23BrN2O6S/c1-23-21(29)24(13-7-3-2-4-8-13)14-9-5-6-12(10-14)18-16(22)17(30-11-15(25)26)19(31-18)20(27)28/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,23,29)(H,25,26)(H,27,28)","","2008-04-22","2011-06-04","4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid",""],["OOI","4-fluorosalicyclic acid","C7 H5 F O3","OC(=O)c1ccc(F)cc1O;c1cc(c(cc1F)O)C(=O)O","InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)","4-fluoranyl-2-oxidanyl-benzoic acid; 4-Fluoro-2-hydroxybenzoic Acid","2022-09-15","2025-03-21","4-fluoranyl-2-oxidanyl-benzoic acid","2025-03-26"],["35C","3,5-dichlorobenzene-1,2-diol","C6 H4 Cl2 O2","Clc1cc(Cl)cc(O)c1O;Oc1cc(Cl)cc(Cl)c1O;c1c(cc(c(c1O)O)Cl)Cl","InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H","","2009-07-09","2011-06-04","3,5-dichlorobenzene-1,2-diol",""],["35D","1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone","C27 H27 N5 O2","O=C(N6CCC(c4nc5c(nc4OC3CN(c1nc2c(cc1)cccc2)C3)cccc5)CC6)C;CC(=O)N1CCC(CC1)c2nc3ccccc3nc2OC4CN(C4)c5ccc6ccccc6n5;CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5","InChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3","","2014-06-18","2014-12-12","1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone","2014-12-17"],["OOJ","N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea","C20 H15 F3 N6 O2 S2","C(F)(F)(c4cc(NC(Nc3nnc(SCC=2N=C1C=CC(C)=CN1C(=O)C=2)s3)=O)ccc4)F;CC1=CN2C(=O)C=C(CSc3sc(NC(=O)Nc4cccc(c4)C(F)(F)F)nn3)N=C2C=C1;CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1","InChI=1S/C20H15F3N6O2S2/c1-11-5-6-15-24-14(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)","","2019-07-02","2019-10-04","N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea","2019-10-09"],["OOK","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid","C28 H22 Cl F4 N3 O3","O=C(O)c1cc(F)c(c(F)c1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5;OC(=O)c1cc(F)c(NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)c(F)c1;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl","InChI=1S/C28H22ClF4N3O3/c29-17-8-6-15(7-9-17)26-34-22-12-18(30)19(31)13-23(22)36(26)25(14-4-2-1-3-5-14)27(37)35-24-20(32)10-16(28(38)39)11-21(24)33/h6-14,25H,1-5H2,(H,35,37)(H,38,39)/t25-/m0/s1","","2010-09-08","2011-06-04","4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid",""],["35E","[1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol","C22 H25 N5 O2","n4ccnc(OC3CN(c1nc2c(cc1)cccc2)C3)c4N5CCC(CC5)CO;OCC1CCN(CC1)c2nccnc2OC3CN(C3)c4ccc5ccccc5n4;c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO","InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2","","2014-06-18","2014-12-12","[1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol","2014-12-17"],["35F","N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide","C20 H14 N6 O2","O=C(Nc4cc(c3nnc2ccc(c1ncnn1)cc23)ccc4)c5occc5;O=C(Nc1cccc(c1)c2n[nH]c3ccc(cc23)c4n[nH]cn4)c5occc5;c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5","InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)","","2008-08-25","2011-06-04","N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide",""],["OOL","(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine","C7 H9 N3 O2","N=Cc1nc(OC)cc(OC)n1;COc1cc(OC)nc(C=N)n1;COc1cc(nc(n1)C=N)OC","InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+","","2023-08-17","2024-09-27","(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine","2023-11-08"],["35G","GUANOSINE-3',5'-MONOPHOSPHATE","C10 H12 N5 O7 P","O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O;c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N","InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","2-amino-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one",""],["OOM","N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide","C22 H23 N7 O2 S","CC(C)(C)c1nn(c(c1)NC(CSc3nnnn3c2ccc(cc2)O)=O)c4ccccc4;CC(C)(C)c1cc(NC(=O)CSc2nnnn2c3ccc(O)cc3)n(n1)c4ccccc4;CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O","InChI=1S/C22H23N7O2S/c1-22(2,3)18-13-19(28(25-18)15-7-5-4-6-8-15)23-20(31)14-32-21-24-26-27-29(21)16-9-11-17(30)12-10-16/h4-13,30H,14H2,1-3H3,(H,23,31)","","2019-07-02","2019-08-30","N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide","2019-09-04"],["35H","N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide","C23 H24 N2 O5 S","O=S(=O)(Nc1ccccc1)c3ccc(C(=O)N(Cc2ccc(cc2)C(O)CO)C)cc3;CN(Cc1ccc(cc1)[CH](O)CO)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3ccccc3;CN(Cc1ccc(cc1)C(CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3","InChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3/t22-/m1/s1","","2014-06-18","2014-10-17","N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide","2014-10-22"],["OOO","ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate","C32 H39 N5 O3","CCOC(=O)[CH](CC(C)C)N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CCOC(=O)C(CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C32H39N5O3/c1-4-39-32(38)28(18-21(2)3)36-23-12-14-24(15-13-23)37-19-27(29-30(33)34-20-35-31(29)37)22-10-16-26(17-11-22)40-25-8-6-5-7-9-25/h5-11,16-17,19-21,23-24,28,36H,4,12-15,18H2,1-3H3,(H2,33,34,35)/t23-,24+,28-/m0/s1","","2016-10-06","2017-09-29","ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate","2017-10-04"],["OOP","1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","C23 H35 N4 O17 P3","O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)C(C(=C)/CCOP(=O)(O)OP(=O)(O)O)CO;Cc1cc2N[C]3([CH](CO)C(=C)CCO[P](O)(=O)O[P](O)(O)=O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)C(CO)C(=C)CCOP(=O)(O)OP(=O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C23H35N4O17P3/c1-11(4-5-42-47(40,41)44-46(37,38)39)14(9-28)23-20(24-22(33)25-21(23)32)27(16-7-13(3)12(2)6-15(16)26-23)8-17(29)19(31)18(30)10-43-45(34,35)36/h6-7,14,17-19,26,28-31H,1,4-5,8-10H2,2-3H3,(H,40,41)(H,25,32,33)(H2,34,35,36)(H2,37,38,39)/t14-,17+,18-,19+,23-/m1/s1","","2011-06-17","2011-10-28","1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol",""],["35I","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl\n]prop-2-en-1-one","C27 H27 F3 N6 O3","FC(F)(F)CCC4c1c(cccc1)C=NN4C(=O)C=Cc2cc(cc(OC)c2OC)Cc3cnc(nc3N)N;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3CCC(F)(F)F)c1OC;COc1cc(cc(c1OC)C=CC(=O)N2C(c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N","InChI=1S/C27H27F3N6O3/c1-38-22-13-16(12-19-14-33-26(32)35-25(19)31)11-17(24(22)39-2)7-8-23(37)36-21(9-10-27(28,29)30)20-6-4-3-5-18(20)15-34-36/h3-8,11,13-15,21H,9-10,12H2,1-2H3,(H4,31,32,33,35)/b8-7+/t21-/m0/s1","(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl)pro\np-2-en-1-one","2012-04-17","2020-06-17","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["35J","N-(pyridin-3-ylmethyl)thioformamide","C7 H8 N2 S","S=CNCc1cccnc1;S=CNCc1cccnc1;c1cc(cnc1)CNC=S","InChI=1S/C7H8N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4,6H,5H2,(H,9,10)","","2014-06-19","2024-09-27","N-(pyridin-3-ylmethyl)thioformamide","2015-09-30"],["OOQ","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate","C30 H35 N5 O3","CC(C)C[CH]([NH2+][CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25)C([O-])=O;CC(C)CC(C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C30H35N5O3/c1-19(2)16-26(30(36)37)34-21-10-12-22(13-11-21)35-17-25(27-28(31)32-18-33-29(27)35)20-8-14-24(15-9-20)38-23-6-4-3-5-7-23/h3-9,14-15,17-19,21-22,26,34H,10-13,16H2,1-2H3,(H,36,37)(H2,31,32,33)/t21-,22+,26-/m0/s1","","2016-10-06","2017-10-06","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate","2017-10-11"],["OOS","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide","C30 H36 N6 O2","CC(C)C[CH](N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25)C(N)=O;CC(C)CC(C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C30H36N6O2/c1-19(2)16-26(29(32)37)35-21-10-12-22(13-11-21)36-17-25(27-28(31)33-18-34-30(27)36)20-8-14-24(15-9-20)38-23-6-4-3-5-7-23/h3-9,14-15,17-19,21-22,26,35H,10-13,16H2,1-2H3,(H2,32,37)(H2,31,33,34)/t21-,22-,26-/m0/s1","","2016-10-19","2017-09-29","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide","2017-10-04"],["35K","(2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid","C12 H13 N3 O4","O=C(O)C(N)CCc1ccc2c(c1)NC(=O)C(=O)N2;N[CH](CCc1ccc2NC(=O)C(=O)Nc2c1)C(O)=O;c1cc2c(cc1CCC(C(=O)O)N)NC(=O)C(=O)N2","InChI=1S/C12H13N3O4/c13-7(12(18)19)3-1-6-2-4-8-9(5-6)15-11(17)10(16)14-8/h2,4-5,7H,1,3,13H2,(H,14,16)(H,15,17)(H,18,19)/t7-/m0/s1","","2014-06-19","2015-04-17","(2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid","2015-04-22"],["OOU","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide","C31 H38 N6 O2","CNC(=O)[CH](CC(C)C)N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CC(C)CC(C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C31H38N6O2/c1-20(2)17-27(31(38)33-3)36-22-11-13-23(14-12-22)37-18-26(28-29(32)34-19-35-30(28)37)21-9-15-25(16-10-21)39-24-7-5-4-6-8-24/h4-10,15-16,18-20,22-23,27,36H,11-14,17H2,1-3H3,(H,33,38)(H2,32,34,35)/t22-,23-,27-/m0/s1","","2016-10-07","2017-09-29","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide","2017-10-04"],["35L","IRON/SULFUR CLUSTER","Fe4 S4","S.[Fe]S[Fe]S[Fe]S[Fe];[S][Fe]1[S]2[Fe][S]3[Fe]2[S]1[Fe]3","InChI=1S/4Fe.H2S.3S/h;;;;1H2;;;/q;;;+1;;;;/p-1","","2014-06-20","2024-11-15","","2024-09-18"],["OOV","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide","C32 H40 N6 O2","CC(C)C[CH](N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25)C(=O)N(C)C;CC(C)CC(C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C32H40N6O2/c1-21(2)18-28(32(39)37(3)4)36-23-12-14-24(15-13-23)38-19-27(29-30(33)34-20-35-31(29)38)22-10-16-26(17-11-22)40-25-8-6-5-7-9-25/h5-11,16-17,19-21,23-24,28,36H,12-15,18H2,1-4H3,(H2,33,34,35)/t23-,24-,28-/m0/s1","","2016-10-07","2017-09-29","(2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide","2017-10-04"],["35M","2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","C19 H14 N2 O5","OC(=O)c1ccnc(c1)c2cc(NC(=O)c3ccc(O)cc3)ccc2O;c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O","InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)","","2015-07-10","2016-01-08","2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","2016-01-13"],["35N","Copper(II) tetrapyrrole ","C16 H16 Cu N4","c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4;c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4","InChI=1S/4C4H4N.Cu/c4*1-2-4-5-3-1;/h4*1-4H;/q4*-1;+4","","2014-06-19","2015-06-15","tetra(pyrrol-1-yl)copper","2015-06-10"],["OOW","{[(2R,3S,4R,5S,6R)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid","C10 H19 N O13 P2","CC(=O)N[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O)O[P](O)(O)=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C","InChI=1S/C10H19NO13P2/c1-4(12)11-7-9(22-5(2)13)8(14)6(3-21-25(15,16)17)23-10(7)24-26(18,19)20/h6-10,14H,3H2,1-2H3,(H,11,12)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1","","2020-03-25","2020-10-02","[(2~{R},3~{S},4~{R},5~{S},6~{R})-3-acetamido-5-oxidanyl-2-phosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] ethanoate","2020-10-07"],["OOX","14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one","C18 H21 N O4","O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54;COc1ccc2C[CH]3N(C)CC[C]45[CH](Oc1c24)C(=O)CC[C]35O;CN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)OC","InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1","Oxycodone","2022-03-04","2023-01-06","14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one","2023-01-11"],["35O","N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide","C20 H24 N6 O3","O=C(Nc1ccc(OC)cc1)C(NC2=NC(=O)c3c(N2)n(nc3)C4CCCC4)C;COc1ccc(NC(=O)[CH](C)NC2=NC(=O)c3cnn(C4CCCC4)c3N2)cc1;CC(C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4","InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1","","2014-06-19","2014-12-05","N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide","2014-12-10"],["35P","(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid","C16 H20 N2 O5 S","c1c(cccc1)OCC(=O)NC(C2NC(C(S2)(C)C)C(O)=O)C=O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2ccccc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)COc2ccccc2)C(=O)O)C","InChI=1S/C16H20N2O5S/c1-16(2)13(15(21)22)18-14(24-16)11(8-19)17-12(20)9-23-10-6-4-3-5-7-10/h3-8,11,13-14,18H,9H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1","OPEN FORM - PENICILLIN V","2014-06-19","2024-09-27","(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid","2014-07-08"],["OOY","N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide","C27 H29 N3 O4","c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5;O=C(Nc1ccc(cc1N2CCOCC2)N3CCOCC3)c4cccc(Oc5ccccc5)c4;c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5","InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31)","","2019-07-02","2020-02-21","N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide","2020-02-26"],["35Q","N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide","C29 H32 F3 N5 O3","CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(CN5CCOCC5)c4;CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5","InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)","","2014-06-19","2015-03-27","N-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide","2014-12-17"],["OOZ","(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone","C42 H67 N O12","CC[CH]1C=C(C)C[CH](C)C[CH](O)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](O)[CH](C4)OC;CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)O)C)C","InChI=1S/C42H67NO12/c1-9-29-17-23(2)16-24(3)18-34(47)38-36(53-8)20-26(5)42(51,55-38)39(48)40(49)43-15-11-10-12-30(43)41(50)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)35(21-28)52-7/h17,19,24,26-32,34-38,44-45,47,51H,9-16,18,20-22H2,1-8H3/b23-17+,25-19+/t24-,26+,27+,28-,29+,30-,31+,32-,34-,35+,36-,37+,38+,42+/m0/s1","","2020-03-25","2021-03-05","(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone","2021-03-10"],["OP0","(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide","C9 H18 N4 O7 S","O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1;NCCONC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O;C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOCCN","InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1","","2014-12-09","2024-09-27","(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide","2015-07-01"],["35R","1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea","C19 H23 N7 O2","O=C(NC1CC1)Nc2cnnc2c3nc4cc(ccc4n3)CN5CCOCC5;O=C(NC1CC1)Nc2c[nH]nc2c3[nH]c4ccc(CN5CCOCC5)cc4n3;c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5","InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)","","2014-06-20","2015-06-26","1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea","2015-07-01"],["OP1","1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline","C11 H18 N4 O5","O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N;NC(=N)NCCC[CH](N1[CH](CCC1=O)C(O)=O)C(O)=O;C1CC(=O)N(C1C(=O)O)C(CCCNC(=N)N)C(=O)O","InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1","Pyronopaline","2014-02-28","2020-06-17","1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline","2014-10-22"],["35S","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid","C31 H32 Cl2 N2 O3","O=C(O)CC5(C(=O)N(C(c1nc(ccc1)C2CC2)CC)C(c3ccc(Cl)cc3)C(c4cccc(Cl)c4)C5)C;CC[CH](N1[CH]([CH](C[C](C)(CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3)c4cccc(n4)C5CC5;CCC(c1cccc(n1)C2CC2)N3C(C(CC(C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl","InChI=1S/C31H32Cl2N2O3/c1-3-27(26-9-5-8-25(34-26)19-10-11-19)35-29(20-12-14-22(32)15-13-20)24(21-6-4-7-23(33)16-21)17-31(2,30(35)38)18-28(36)37/h4-9,12-16,19,24,27,29H,3,10-11,17-18H2,1-2H3,(H,36,37)/t24-,27+,29-,31-/m1/s1","","2014-06-20","2014-07-11","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid","2014-07-16"],["35T","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid","C29 H34 Cl2 N2 O5 S","O=S(=O)(N1CCCC1)CC(N4C(=O)C(C)(CC(=O)O)CC(c2cccc(Cl)c2)C4c3ccc(Cl)cc3)C5CC5;C[C]1(C[CH]([CH](N([CH](C[S](=O)(=O)N2CCCC2)C3CC3)C1=O)c4ccc(Cl)cc4)c5cccc(Cl)c5)CC(O)=O;CC1(CC(C(N(C1=O)C(CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O","InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1","","2014-06-20","2015-05-01","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid","2015-05-06"],["OP2","2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid","C12 H24 O8","O=C(O)COCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCC(O)=O;C(COCCOCCOCCOCCOCC(=O)O)O","InChI=1S/C12H24O8/c13-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12(14)15/h13H,1-11H2,(H,14,15)","","2013-05-13","2014-09-05","17-hydroxy-3,6,9,12,15-pentaoxaheptadecan-1-oic acid","2013-06-26"],["35V","4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol","C19 H25 N O5 S","O(c1ccc(cc1OC)CCNCC(O)c2ccc(O)c(O)c2)CCS;COc1cc(CCNC[CH](O)c2ccc(O)c(O)c2)ccc1OCCS;COc1cc(ccc1OCCS)CCNCC(c2ccc(c(c2)O)O)O","InChI=1S/C19H25NO5S/c1-24-19-10-13(2-5-18(19)25-8-9-26)6-7-20-12-17(23)14-3-4-15(21)16(22)11-14/h2-5,10-11,17,20-23,26H,6-9,12H2,1H3/t17-/m0/s1","","2014-06-23","2024-09-27","4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol","2014-07-23"],["OP3","7-methoxy-7-oxidanylidene-heptanoic acid","C8 H14 O4","COC(=O)CCCCCC(O)=O;COC(=O)CCCCCC(=O)O","InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)","","2023-02-09","2024-01-19","7-methoxy-7-oxidanylidene-heptanoic acid","2024-01-24"],["35W","7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine","C21 H16 N6","n1ccc(cc1)c2nc5c(nc2)ncc5c3cn(nc3)Cc4ccccc4;C(n1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4)c5ccccc5;c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5","InChI=1S/C21H16N6/c1-2-4-15(5-3-1)13-27-14-17(10-25-27)18-11-23-21-20(18)26-19(12-24-21)16-6-8-22-9-7-16/h1-12,14H,13H2,(H,23,24)","","2014-06-25","2015-09-18","7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine","2015-09-23"],["OP4","5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide","C32 H47 F N6 O4 S","Fc1ccc(c(c1)C(=O)N(C(C)C)C(C)C)Oc5c(N2CC3(C2)CCN(CC3)CC4CCC(CC4)NS(=O)(C)=O)ncnc5;CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4(CCN(CC4)C[CH]5CC[CH](CC5)N[S](C)(=O)=O)C3;CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F","InChI=1S/C32H47FN6O4S/c1-22(2)39(23(3)4)31(40)27-16-25(33)8-11-28(27)43-29-17-34-21-35-30(29)38-19-32(20-38)12-14-37(15-13-32)18-24-6-9-26(10-7-24)36-44(5,41)42/h8,11,16-17,21-24,26,36H,6-7,9-10,12-15,18-20H2,1-5H3/t24-,26-","","2019-07-02","2019-12-13","5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide","2019-12-18"],["35X","7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine","C17 H16 N6","n1ccc(cc1)c3nc4c(c2cn(nc2)CCC)cnc4nc3;CCCn1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4;CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4","InChI=1S/C17H16N6/c1-2-7-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-3-5-18-6-4-12/h3-6,8-11H,2,7H2,1H3,(H,19,20)","","2014-06-25","2015-09-18","7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine","2015-09-23"],["OP5","(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone","C44 H69 N O13","CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC(C)=O)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC;CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC(=O)C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC","InChI=1S/C44H69NO13/c1-24-16-25(2)18-37(55-8)40-38(56-9)20-27(4)44(53,58-40)41(50)42(51)45-15-11-10-12-32(45)43(52)57-39(26(3)19-30-13-14-33(47)36(22-30)54-7)29(6)34(48)23-35(49)31(17-24)21-28(5)46/h17,19,25,27,29-34,36-40,47-48,53H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1","","2020-03-25","2021-03-05","(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone","2021-03-10"],["35Y","3-[(1H-tetrazol-5-ylcarbonyl)amino]-L-alanine","C5 H8 N6 O3","O=C(NCC(C(=O)O)N)c1nnnn1;N[CH](CNC(=O)c1[nH]nnn1)C(O)=O;C(C(C(=O)O)N)NC(=O)c1[nH]nnn1","InChI=1S/C5H8N6O3/c6-2(5(13)14)1-7-4(12)3-8-10-11-9-3/h2H,1,6H2,(H,7,12)(H,13,14)(H,8,9,10,11)/t2-/m0/s1","","2010-04-13","2012-01-13","3-[(1H-tetrazol-5-ylcarbonyl)amino]-L-alanine",""],["OP6","6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine","C26 H33 N2 O3","COCCOCCOCC[n+]1ccc(C=Cc2ccc3cc(ccc3c2)N(C)C)cc1;CN(C)c1ccc2cc(ccc2c1)C=Cc3cc[n+](cc3)CCOCCOCCOC","InChI=1S/C26H33N2O3/c1-27(2)26-9-8-24-20-23(6-7-25(24)21-26)5-4-22-10-12-28(13-11-22)14-15-30-18-19-31-17-16-29-3/h4-13,20-21H,14-19H2,1-3H3/q+1","","2023-08-24","2024-08-16","6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine","2024-08-21"],["OP7","methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate","C34 H45 N3 O8","c5c(CC(C(CC(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)NC(C(C4CCCC4)NC(OC)=O)=O)cccc5;COC(=O)N[CH](C1CCCC1)C(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45;COC(=O)NC(C1CCCC1)C(=O)NC(Cc2ccccc2)C(CC(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C34H45N3O8/c1-42-33(40)37-30(24-14-8-9-15-24)31(39)36-27(19-23-12-6-3-7-13-23)28(38)20-25(18-22-10-4-2-5-11-22)35-34(41)45-29-21-44-32-26(29)16-17-43-32/h2-7,10-13,24-30,32,38H,8-9,14-21H2,1H3,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28-,29-,30-,32+/m0/s1","","2019-07-02","2020-06-26","methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate","2020-07-01"],["35Z","2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one","C25 H25 N5 O3","COc1cccc(c1)c2nccc(n2)c3[nH]c4c(c3)C(=O)NCC45CCN(CC5)C(=O)C=C;COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O","InChI=1S/C25H25N5O3/c1-3-21(31)30-11-8-25(9-12-30)15-27-24(32)18-14-20(28-22(18)25)19-7-10-26-23(29-19)16-5-4-6-17(13-16)33-2/h3-7,10,13-14,28H,1,8-9,11-12,15H2,2H3,(H,27,32)","","2021-06-23","2024-09-27","2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one","2021-10-20"],["361","(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine","C16 H13 F3 N4","Fc1cc(c(F)cc1F)C4Cc3nc2cnccc2n3CC4N;N[CH]1Cn2c(C[CH]1c3cc(F)c(F)cc3F)nc4cnccc24;c1cncc2c1n3c(n2)CC(C(C3)N)c4cc(c(cc4F)F)F","InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1","","2009-05-05","2011-06-04","(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine",""],["OP8","(1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone","C43 H69 N O13","CC[CH]1[CH]2O[C]2(C)C[CH](C)C[CH](OC)[CH]3O[C](O)([CH](C)C[CH]3OC)C(=O)C(=O)N4CCCC[CH]4C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]5CC[CH](O)[CH](C5)OC;CCC1C2C(O2)(CC(CC(C3C(CC(C(O3)(C(=O)C(=O)N4CCCCC4C(=O)OC(C(C(CC1=O)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC)C)C","InChI=1S/C43H69NO13/c1-10-28-32(47)21-31(46)26(5)36(24(3)18-27-14-15-30(45)33(20-27)52-7)55-41(50)29-13-11-12-16-44(29)40(49)38(48)43(51)25(4)19-35(54-9)37(56-43)34(53-8)17-23(2)22-42(6)39(28)57-42/h18,23,25-31,33-37,39,45-46,51H,10-17,19-22H2,1-9H3/b24-18+/t23-,25-,26-,27+,28+,29+,30-,31+,33-,34+,35+,36-,37-,39-,42-,43-/m1/s1","","2020-03-25","2021-03-05","","2021-03-10"],["OP9","(1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione","C35 H36 N6 O5","CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2;Cc1cc(cc2c1n[nH]c2)CC3C(=O)N(CCOCCOCC=Cc4cc5c(nc4)NC(=O)C56Cc7ccc(cc7C6)C(=O)N3)C","InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35+/m1/s1","","2022-09-16","2022-12-02","(1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione","2022-12-07"],["362","2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine","C14 H10 N6","n2c4c(c1cccnc1)cnc4ncc2c3cnnc3;[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2;c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4","InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)","","2014-06-25","2023-09-14","2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine","2015-09-23"],["OPA","2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID","C10 H9 N O6 S","O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2;OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O;C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O","InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)","","2000-04-18","2011-06-04","2-[(carboxycarbonyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid",""],["363","2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine","C9 H7 N5","n1c3ccnc3ncc1c2cnnc2;[nH]1cc(cn1)c2cnc3[nH]ccc3n2;c1c[nH]c2c1nc(cn2)c3c[nH]nc3","InChI=1S/C9H7N5/c1-2-10-9-7(1)14-8(5-11-9)6-3-12-13-4-6/h1-5H,(H,10,11)(H,12,13)","","2014-06-25","2015-09-18","2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine","2015-09-23"],["OPB","4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE","C19 H20 N2 O3","O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3;CCCC[CH]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3;CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3","InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1","OXYPHENBUTAZONE","2003-08-19","2021-03-01","(4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione",""],["364","3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM","C19 H20 N O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)C[n+]3cccc(c2cc(c1ccccc1)ccc2)c3;OC(C[n+]1cccc(c1)c2cccc(c2)c3ccccc3)([P](O)(O)=O)[P](O)(O)=O;c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1","3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-BIS-PHOSPHONO-ETHYL)-PYRIDINIUM","2007-01-30","2021-03-13","3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium",""],["OPC","(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE","C45 H87 N O8 P","O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCCC=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC;CCCCCCCCCC=CCCCCCCC(=O)OC[C](C)(CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC;CCCCCCCCCC=CCCCCCCC(=O)OCC(C)(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC","InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1","DIOLEOYL-PHOSPHATIDYLCHOLINE","2003-10-02","2021-03-01","(4S,7R,17Z)-4-hydroxy-N,N,N,7-tetramethyl-7-[(8E)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide",""],["365","[(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate","C21 H27 B N6 O10 P","NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCCO)cccc16;[B-]12(c3c(cccc3OCCCO)C(O1)CN)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)(O)O","InChI=1S/C21H27BN6O10P/c23-7-13-11-3-1-4-12(33-6-2-5-29)15(11)22(36-13)37-17-14(8-34-39(30,31)32)35-21(18(17)38-22)28-10-27-16-19(24)25-9-26-20(16)28/h1,3-4,9-10,13-14,17-18,21,29H,2,5-8,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/p-2/t13-,14-,17-,18-,21-,22+/m1/s1","3-AMINOMETHYL-7-(3-HYDROXY-PROPOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine","2013-01-21","2021-03-13","[(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate","2013-04-17"],["OPD","9R,13R-12-OXOPHYTODIENOIC ACID","C18 H28 O3","O=C1C=CC(CCCCCCCC(=O)O)C1C/C=C/CC;CCC=CC[CH]1[CH](CCCCCCCC(O)=O)C=CC1=O;CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O","InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1","9R,13R-OPDA","2001-04-06","2020-06-17","8-[(1R,5R)-4-oxo-5-pent-2-en-1-ylcyclopent-2-en-1-yl]octanoic acid",""],["367","3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE","C21 H21 N3 O5 S","O=S(=O)(OCCCO)c1cc(ccc1)C(=O)Nc3c2cc(C(=[N@H])N)ccc2ccc3;NC(=N)c1ccc2cccc(NC(=O)c3cccc(c3)[S](=O)(=O)OCCCO)c2c1;[H]N=C(c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)N","InChI=1S/C21H21N3O5S/c22-20(23)15-9-8-14-4-2-7-19(18(14)13-15)24-21(26)16-5-1-6-17(12-16)30(27,28)29-11-3-10-25/h1-2,4-9,12-13,25H,3,10-11H2,(H3,22,23)(H,24,26)","","2005-06-21","2011-06-04","3-hydroxypropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonate",""],["368","(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE","C18 H21 B N4 O5","O=C(OC(c1ccc(cc1)B2OCC(O2)CO)CNC(=[N@H])N)c3cccnc3;NC(=N)NC[CH](OC(=O)c1cccnc1)c2ccc(cc2)B3OC[CH](CO)O3;[H]N=C(N)NCC(c1ccc(cc1)B2OCC(O2)CO)OC(=O)c3cccnc3","InChI=1S/C18H21BN4O5/c20-18(21)23-9-16(27-17(25)13-2-1-7-22-8-13)12-3-5-14(6-4-12)19-26-11-15(10-24)28-19/h1-8,15-16,24H,9-11H2,(H4,20,21,23)/t15-,16+/m1/s1","","2005-05-20","2024-09-27","(1R)-2-carbamimidamido-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl pyridine-3-carboxylate",""],["OPE","PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER","C2 H8 N O4 P","O=P(O)(O)OCCN;NCCO[P](O)(O)=O;C(COP(=O)(O)O)N","InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)","COLAMINE PHOSPHORIC ACID","1999-07-08","2024-09-27","2-aminoethyl dihydrogen phosphate",""],["369","5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol","C23 H18 O4","O(c2c(c1cccc(O)c1)c(cc3c2ccc(O)c3)C)c4ccc(O)cc4;Cc1cc2cc(O)ccc2c(Oc3ccc(O)cc3)c1c4cccc(O)c4;Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O","InChI=1S/C23H18O4/c1-14-11-16-13-19(26)7-10-21(16)23(27-20-8-5-17(24)6-9-20)22(14)15-3-2-4-18(25)12-15/h2-13,24-26H,1H3","","2008-07-21","2011-06-04","5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol",""],["OPF","(2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","C21 H30 N2 O4","CCCCCCC(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O;CCCCCCC(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)O","InChI=1S/C21H30N2O4/c1-2-3-4-8-13-19(24)23-14-9-12-18(23)20(25)22-17(21(26)27)15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,2-4,8-9,12-15H2,1H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1","N-enanthoyl-L-prolyl-L-phenylalanine","2019-10-08","2025-05-27","(2~{S})-2-[[(2~{S})-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","2020-09-30"],["36A","(S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid","C21 H25 Cl N6 O5 S","O=C(O)C(N)CCSCC4OC(n2cnc1c(ncnc12)NCc3cccc(Cl)c3)C(O)C4O;N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(Cl)c4)ncnc23)C(O)=O;c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CSCCC(C(=O)O)N)O)O","InChI=1S/C21H25ClN6O5S/c22-12-3-1-2-11(6-12)7-24-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-34-5-4-13(23)21(31)32/h1-3,6,9-10,13-14,16-17,20,29-30H,4-5,7-8,23H2,(H,31,32)(H,24,25,26)/t13-,14+,16+,17+,20+/m0/s1","","2010-11-01","2011-06-04","(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-{6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",""],["OPG","OXIRANPSEUDOGLUCOSE","C7 H12 O5","OCC12OC2CC(O)C(O)C1O;OC[C]12O[CH]1C[CH](O)[CH](O)[CH]2O;C1C(C(C(C2(C1O2)CO)O)O)O","InChI=1S/C7H12O5/c8-2-7-4(12-7)1-3(9)5(10)6(7)11/h3-6,8-11H,1-2H2/t3-,4+,5+,6-,7+/m0/s1","","1999-07-08","2012-12-21","(1S,2S,3R,4S,6R)-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol",""],["OPH","2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER","C10 H12 O3","O=C(OC)C(O)Cc1ccccc1;COC(=O)[CH](O)Cc1ccccc1;COC(=O)C(Cc1ccccc1)O","InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1","","1999-07-08","2011-08-06","methyl (2S)-2-hydroxy-3-phenylpropanoate",""],["36C","3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","C17 H11 F4 N3 O2","FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(F)cc3;OC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F;c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F","InChI=1S/C17H11F4N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)","","2014-04-04","2014-12-05","3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","2014-12-10"],["OPI","PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID","C16 H30 N2 O6","O=C(NCCC(=O)NCCO)C(O)C(COC(=O)C(C)(C)C)(C)C;CC(C)(C)C(=O)OCC(C)(C)[CH](O)C(=O)NCCC(=O)NCCO;CC(C)(C)C(=O)OCC(C)(C)C(C(=O)NCCC(=O)NCCO)O","InChI=1S/C16H30N2O6/c1-15(2,3)14(23)24-10-16(4,5)12(21)13(22)18-7-6-11(20)17-8-9-19/h12,19,21H,6-10H2,1-5H3,(H,17,20)(H,18,22)/t12-/m0/s1","","2003-03-28","2011-06-04","(3R)-3-hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl 2,2-dimethylpropanoate",""],["36D","N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline","C13 H20 N2 O4 S","O=C(O)C(NC(=O)C(O)C(N)Cc1sccc1)CCC;CCC[CH](NC(=O)[CH](O)[CH](N)Cc1sccc1)C(O)=O;CCCC(C(=O)O)NC(=O)C(C(Cc1cccs1)N)O","InChI=1S/C13H20N2O4S/c1-2-4-10(13(18)19)15-12(17)11(16)9(14)7-8-5-3-6-20-8/h3,5-6,9-11,16H,2,4,7,14H2,1H3,(H,15,17)(H,18,19)/t9-,10-,11+/m0/s1","","2014-06-24","2024-09-27","N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline","2015-07-29"],["OPJ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate","C33 H43 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C5(CCCC5)NC(=O)OC;COC(=O)NC1(CCCC1)C(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45;COC(=O)NC1(CCCC1)C(=O)NC(Cc2ccccc2)C(CC(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C33H43N3O8/c1-41-32(40)36-33(15-8-9-16-33)30(38)35-26(19-23-12-6-3-7-13-23)27(37)20-24(18-22-10-4-2-5-11-22)34-31(39)44-28-21-43-29-25(28)14-17-42-29/h2-7,10-13,24-29,37H,8-9,14-21H2,1H3,(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-,28-,29+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["36E","2-(trifluoromethyl)-1H-benzimidazole","C8 H5 F3 N2","FC(F)(F)c2nc1ccccc1n2;FC(F)(F)c1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)C(F)(F)F","InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)","","2013-05-20","2013-09-13","2-(trifluoromethyl)-1H-benzimidazole","2013-09-18"],["OPK","(2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid","C19 H28 N4 O7","CC(C)[CH](NC(=O)[CH](N)CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O;CC(C)C(C(=O)O)NC(=O)C(CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N","InChI=1S/C19H28N4O7/c1-12(2)16(18(25)26)22-17(24)15(20)5-3-4-10-21-19(27)30-11-13-6-8-14(9-7-13)23(28)29/h6-9,12,15-16H,3-5,10-11,20H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1","","2020-03-26","2022-03-04","(2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid","2022-03-09"],["36F","5-methyl-3-[4-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one","C24 H32 N6 O3 S","O=C1NC2C(SCC2N1)CCCCCc3nnn(c3)CCCCN4c5cc(ccc5OC4=O)C;Cc1ccc2OC(=O)N(CCCCn3cc(CCCCC[CH]4SC[CH]5NC(=O)N[CH]45)nn3)c2c1;Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18-,21-,22-/m0/s1","","2012-01-20","2012-04-20","5-methyl-3-[4-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one",""],["36G","N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide","C17 H18 N2 O2","O=C(Nc1ccccc1OC)N3c2ccccc2CCC3;COc1ccccc1NC(=O)N2CCCc3ccccc23;COc1ccccc1NC(=O)N2CCCc3c2cccc3","InChI=1S/C17H18N2O2/c1-21-16-11-5-3-9-14(16)18-17(20)19-12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,18,20)","","2013-05-18","2014-09-05","N-(2-methoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide","2013-09-18"],["OPL","(2R,3R)-2,4,4-trihydroxy-3-methylbutanal","C5 H10 O4","O=CC(O)C(C)C(O)O;C[CH](C(O)O)[CH](O)C=O;CC(C(C=O)O)C(O)O","InChI=1S/C5H10O4/c1-3(5(8)9)4(7)2-6/h2-5,7-9H,1H3/t3-,4+/m1/s1","","2012-12-21","2024-09-27","(2R,3R)-2,4,4-trihydroxy-3-methylbutanal","2013-01-18"],["36H","2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol","C25 H34 F N7 O","CC(C)n1cc(cn1)c2nc(Nc3ccc(N4CCC(CC4)N(C)CCO)c(F)c3)ncc2C;Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO","InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)","","2021-07-12","2022-03-25","2-[[1-[2-fluoranyl-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methyl-amino]ethanol","2022-03-30"],["OPM","pentyl alpha-D-mannopyranoside","C11 H22 O6","O(CCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1","O1-PENTYL-MANNOSE; pentyl alpha-D-mannoside; pentyl D-mannoside; pentyl mannoside","2002-07-10","2020-07-17","pentyl alpha-D-mannopyranoside",""],["36I","4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine","C16 H15 N3 O S","n1c(c3sccc3nc1c2ccccc2)N4CCOCC4;C1CN(CCO1)c2nc(nc3ccsc23)c4ccccc4;c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4","InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)15-17-13-6-11-21-14(13)16(18-15)19-7-9-20-10-8-19/h1-6,11H,7-10H2","","2013-05-20","2013-09-13","4-(morpholin-4-yl)-2-phenylthieno[3,2-d]pyrimidine","2013-09-18"],["OPN","{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACETYL]-AMINO}-ACETIC ACID","C14 H17 N4 O4","O=C(O)CN(C(=O)CC2=Cc1c(nccc1)NC2=O)CC[NH3+];[NH3+]CCN(CC(O)=O)C(=O)CC1=Cc2cccnc2NC1=O;c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O","InChI=1S/C14H16N4O4/c15-3-5-18(8-12(20)21)11(19)7-10-6-9-2-1-4-16-13(9)17-14(10)22/h1-2,4,6H,3,5,7-8,15H2,(H,20,21)(H,16,17,22)/p+1","","2001-02-12","2011-06-04","2-{(carboxymethyl)[(2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl)acetyl]amino}ethanaminium",""],["36J","(3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one","C18 H24 O5","O=C1OC(CCCC(O)CCCC=Cc2cc(O)cc(O)c12)C;C[CH]1CCC[CH](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(CCCC=Cc2cc(cc(c2C(=O)O1)O)O)O","InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1","","2014-06-25","2015-01-23","(3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one","2015-01-28"],["OPO","O-NITROPHENOL","C6 H5 N O3","O=[N+]([O-])c1ccccc1O;Oc1ccccc1[N+]([O-])=O;c1ccc(c(c1)[N+](=O)[O-])O","InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H","","2014-09-19","2015-09-25","2-nitrophenol","2015-09-30"],["OPP","1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE","C10 H8 N2 O5","O=C1N(C(=O)C=C1)COCN2C(=O)C=CC2=O;O=C1C=CC(=O)N1COCN2C(=O)C=CC2=O;C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O","InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2","","2001-09-06","2024-09-27","1,1'-(oxydimethanediyl)bis(1H-pyrrole-2,5-dione)",""],["36K","1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea","C17 H18 N4 O2","O=C(Nc1ccccc1OC)Nc3nc2ccccc2n3CC;CCn1c(NC(=O)Nc2ccccc2OC)nc3ccccc13;CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC","InChI=1S/C17H18N4O2/c1-3-21-14-10-6-4-8-12(14)18-16(21)20-17(22)19-13-9-5-7-11-15(13)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22)","","2013-05-18","2014-09-05","1-(1-ethyl-1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)urea","2013-09-18"],["36L","(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione","C35 H47 N O8","O=C1OC2C(C=CC4OC4(C(O)CC(OC(=O)C=CCC(C1)C2)C(C)C(OC)C(=CC=CC(=Cc3nc(oc3)C)C)C)C)C;CO[CH]([CH](C)[CH]1C[CH](O)[C]2(C)O[CH]2C=C[CH](C)[CH]3C[CH](CC=CC(=O)O1)CC(=O)O3)C(C)=CC=CC(C)=Cc4coc(C)n4;Cc1nc(co1)C=C(C)C=CC=C(C)C(C(C)C2CC(C3(C(O3)C=CC(C4CC(CC=CC(=O)O2)CC(=O)O4)C)C)O)OC","InChI=1S/C35H47NO8/c1-21(16-27-20-41-25(5)36-27)10-8-11-23(3)34(40-7)24(4)29-19-30(37)35(6)31(44-35)15-14-22(2)28-17-26(18-33(39)42-28)12-9-13-32(38)43-29/h8-11,13-16,20,22,24,26,28-31,34,37H,12,17-19H2,1-7H3/b10-8+,13-9+,15-14+,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35-/m1/s1","Rhizoxin","2014-06-25","2021-03-01","(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione","2014-08-27"],["OPQ","((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE)","C30 H45 N3 O4","O=C(NCCCC)CC(O)C(NC(=O)C(NC(=O)Cc2ccc1c(cccc1)c2)C(C)CC)CC(C)C;CCCCNC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O)Cc1ccc2ccccc2c1)[CH](C)CC;CCCCNC(=O)CC(C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)Cc1ccc2ccccc2c1)O","InChI=1S/C30H45N3O4/c1-6-8-15-31-27(35)19-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)18-22-13-14-23-11-9-10-12-24(23)17-22/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21-,25-,26-,29-/m0/s1","","2005-02-27","2011-06-04","(3S,4S)-N-butyl-3-hydroxy-6-methyl-4-{[N-(naphthalen-2-ylacetyl)-L-isoleucyl]amino}heptanamide",""],["OPR","(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid","C9 H18 N4 O3","O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O;N[CH](CCCNC(N)=N)C(=O)CCC(O)=O;C(CC(C(=O)CCC(=O)O)N)CNC(=N)N","InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1","","1999-07-08","2024-09-27","(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid",""],["36M","propyl 4-hydroxybenzoate","C10 H12 O3","O=C(OCCC)c1ccc(O)cc1;CCCOC(=O)c1ccc(O)cc1;CCCOC(=O)c1ccc(cc1)O","InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3","","2014-06-25","2015-01-23","propyl 4-hydroxybenzoate","2015-01-28"],["36N","5H-pyrrolo[2,3-b]pyrazine","C6 H5 N3","n1c2c(ncc1)ccn2;[nH]1ccc2nccnc12;c1c[nH]c2c1nccn2","InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)","","2014-06-25","2015-09-18","5H-pyrrolo[2,3-b]pyrazine","2015-09-23"],["OPS","3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE","C6 H9 O2 S2","O=C(SCCC=O)CC[S-];[S-]CCC(=O)SCCC=O;C(CSC(=O)CC[S-])C=O","InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1","2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE","2004-05-06","2024-09-27","3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate",""],["36O","N-cyclohexyl-9H-purin-6-amine","C11 H15 N5","n2c1c(ncn1)c(nc2)NC3CCCCC3;C1CCC(CC1)Nc2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)NC3CCCCC3","InChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16)","","2014-06-25","2015-09-18","N-cyclohexyl-9H-purin-6-amine","2015-09-23"],["OPT","S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide","C47 H55 N7 O5 S","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccc(O)cc2)CCCNC(N)N)CSCc3ccccc3)Cc5ccc(c4ccccc4)cc5;NC(N)NCCC[CH](NC(=O)[CH](CSCc1ccccc1)NC(=O)Cc2ccc(cc2)c3ccccc3)C(=O)N[CH](Cc4ccc(O)cc4)C(=O)NCCc5ccccc5;c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CCCNC(N)N)NC(=O)C(CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5","InChI=1S/C47H55N7O5S/c48-47(49)51-27-10-17-40(45(58)54-41(29-34-20-24-39(55)25-21-34)44(57)50-28-26-33-11-4-1-5-12-33)53-46(59)42(32-60-31-36-13-6-2-7-14-36)52-43(56)30-35-18-22-38(23-19-35)37-15-8-3-9-16-37/h1-9,11-16,18-25,40-42,47,51,55H,10,17,26-32,48-49H2,(H,50,57)(H,52,56)(H,53,59)(H,54,58)/t40-,41+,42+/m1/s1","","2007-11-13","2011-06-04","S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide",""],["OPU","(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C17 H15 Cl N4 O2","Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21;Cc1ccn2cnnc2c1NC(=O)[CH]3CCOc4ccc(Cl)cc34;Cc1ccn2cnnc2c1NC(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C17H15ClN4O2/c1-10-4-6-22-9-19-21-16(22)15(10)20-17(23)12-5-7-24-14-3-2-11(18)8-13(12)14/h2-4,6,8-9,12H,5,7H2,1H3,(H,20,23)/t12-/m1/s1","","2023-08-17","2023-11-03","(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["36P","2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone","C16 H12 N2 O S2","O=C(c1nc(sc1)c2cscc2)N4c3ccccc3CC4;O=C(N1CCc2ccccc12)c3csc(n3)c4cscc4;c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4","InChI=1S/C16H12N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-4,6,8-10H,5,7H2","","2013-05-18","2014-09-05","2,3-dihydro-1H-indol-1-yl[2-(thiophen-3-yl)-1,3-thiazol-4-yl]methanone","2013-09-18"],["OPV","~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide","C16 H18 N4 O5","C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O;CC1C(C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O","InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13-/m0/s1","","2018-07-31","2018-10-05","~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide","2018-10-10"],["36Q","(2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol","C14 H15 N5 O","n2c1c(ncn1)c(nc2)NC(Cc3ccccc3)CO;OC[CH](Cc1ccccc1)Nc2ncnc3[nH]cnc23;c1ccc(cc1)CC(CO)Nc2c3c([nH]cn3)ncn2","InChI=1S/C14H15N5O/c20-7-11(6-10-4-2-1-3-5-10)19-14-12-13(16-8-15-12)17-9-18-14/h1-5,8-9,11,20H,6-7H2,(H2,15,16,17,18,19)/t11-/m0/s1","","2014-06-25","2015-09-18","(2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol","2015-09-23"],["OPW","~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide","C15 H13 N3 O2 S","COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3;CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC","InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)","","2020-03-26","2021-04-02","~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide","2021-04-07"],["36R","5-chloro-1,3-benzoxazol-2-amine","C7 H5 Cl N2 O","Clc1cc2nc(oc2cc1)N;Nc1oc2ccc(Cl)cc2n1;c1cc2c(cc1Cl)nc(o2)N","InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)","","2014-06-25","2015-09-18","5-chloro-1,3-benzoxazol-2-amine","2015-09-23"],["OPX","(1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid","C12 H23 N O5 S","O=S(=O)(O)C1(CC(O)C(O)C1)CNC2CCCCC2;O[CH]1C[C](CNC2CCCCC2)(C[CH]1O)[S](O)(=O)=O;C1CCC(CC1)NCC2(CC(C(C2)O)O)S(=O)(=O)O","InChI=1S/C12H23NO5S/c14-10-6-12(7-11(10)15,19(16,17)18)8-13-9-4-2-1-3-5-9/h9-11,13-15H,1-8H2,(H,16,17,18)/t10-,11+,12-","","2012-10-29","2016-01-08","(1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid","2016-01-13"],["36S","2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine","C23 H28 Cl N3 O","Clc3c(c1ccccc1OC)nc2ccc(cc23)C4CCN(CCNC)CC4;CNCCN1CCC(CC1)c2ccc3[nH]c(c(Cl)c3c2)c4ccccc4OC;CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl","InChI=1S/C23H28ClN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3","","2014-07-07","2014-08-15","2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine","2014-08-20"],["OPY","(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine","C9 H19 N3 O","O=C(N1CCCCC1)C(N)CCN;NCC[CH](N)C(=O)N1CCCCC1;C1CCN(CC1)C(=O)C(CCN)N","InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1","GSK237826A","2010-05-17","2020-06-17","(2S)-2,4-diamino-1-(piperidin-1-yl)butan-1-one",""],["36U","(5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one","C18 H13 Cl3 O2 S","Clc3ccccc3SC2=C(O)CC(c1c(Cl)cccc1Cl)CC2=O;OC1=C(Sc2ccccc2Cl)C(=O)C[CH](C1)c3c(Cl)cccc3Cl;c1ccc(c(c1)SC2=C(CC(CC2=O)c3c(cccc3Cl)Cl)O)Cl","InChI=1S/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2/t10-/m0/s1","","2014-06-26","2014-07-11","(5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one","2014-07-16"],["OPZ","~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide","C16 H18 N4 O5","C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O;CC1C(C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O","InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13+/m1/s1","","2018-07-31","2018-10-05","~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide","2018-10-10"],["36V","trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione","C18 H15 N O4 S","[O-][N+](=O)c3c(SC2C(=O)CC(c1ccccc1)CC2=O)cccc3;[O-][N+](=O)c1ccccc1S[CH]2C(=O)C[CH](CC2=O)c3ccccc3;c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-]","InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,18H,10-11H2/t13-,18-","","2014-06-26","2014-07-11","trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione","2014-07-16"],["OQ1","(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","C9 H14 F2 N2 O3 S","C1(O)C(C(F)F)OC2C(C1O)N=C(S2)NCC;CCNC1=N[CH]2[CH](O)[CH](O)[CH](O[CH]2S1)C(F)F;CCNC1=NC2C(C(C(OC2S1)C(F)F)O)O","InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1","","2019-07-02","2019-09-13","(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2019-09-18"],["36X","4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine","C12 H16 N2","[N@H]=C1C3=C(N(C2=C1CCC2)C)CCC3;CN1C2=C(CCC2)C(=N)C3=C1CCC3;CN1C2=C(CCC2)C(=N)C3=C1CCC3","InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3","","2014-06-27","2014-08-01","4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine","2014-08-06"],["36Y","4-(4-bromophenyl)-1H-imidazole","C9 H7 Br N2","Brc2ccc(c1ncnc1)cc2;Brc1ccc(cc1)c2c[nH]cn2;c1cc(ccc1c2c[nH]cn2)Br","InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)","","2014-06-27","2015-02-13","4-(4-bromophenyl)-1H-imidazole","2015-02-18"],["OQ2","~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide","C33 H40 F3 N7 O3","CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F;CCC(=O)N1CCC(C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC","InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1","","2020-03-27","2024-09-27","~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide","2020-08-12"],["36Z","methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate","C13 H14 N2 O3","O=C(OC)c1cc(cc(N)c1)c2c(onc2C)C;COC(=O)c1cc(N)cc(c1)c2c(C)onc2C;Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC","InChI=1S/C13H14N2O3/c1-7-12(8(2)18-15-7)9-4-10(13(16)17-3)6-11(14)5-9/h4-6H,14H2,1-3H3","","2014-06-27","2014-12-19","methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate","2014-12-24"],["OQ3","3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C11 H12 Br N O2 S","CN(CCS)C(=O)c1cc(Br)cc(C=O)c1;CN(CCS)C(=O)c1cc(cc(c1)Br)C=O","InChI=1S/C11H12BrNO2S/c1-13(2-3-16)11(15)9-4-8(7-14)5-10(12)6-9/h4-7,16H,2-3H2,1H3","","2022-09-16","2023-03-24","3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2023-03-29"],["370","4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine","C21 H23 N5 O2 S","n1nc(c(c1C)Cc2nnc(o2)c5sc3ccccc3c5OC4CCNCC4)C;Cc1[nH]nc(C)c1Cc2oc(nn2)c3sc4ccccc4c3OC5CCNCC5;Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5","InChI=1S/C21H23N5O2S/c1-12-16(13(2)24-23-12)11-18-25-26-21(28-18)20-19(27-14-7-9-22-10-8-14)15-5-3-4-6-17(15)29-20/h3-6,14,22H,7-11H2,1-2H3,(H,23,24)","","2013-10-08","2014-03-28","4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine","2014-04-02"],["OQ4","2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide","C32 H47 F N6 O4 S","CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC2)CC2CCC(NS(=O)(=O)CC)CC2)C1;CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4(CCN(CC4)C[CH]5CC[CH](CC5)N[S](=O)(=O)CC)C3;CCN(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC)F","InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-","","2022-03-31","2022-12-09","2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide","2022-12-14"],["OQ5","20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid","C41 H76 N4 O12","CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O;CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C41H76N4O12/c1-3-45(4-2)39(49)34-57-32-30-55-28-26-43-38(48)33-56-31-29-54-27-25-42-36(46)24-23-35(41(52)53)44-37(47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(50)51/h35H,3-34H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)/t35-/m0/s1","","2020-03-27","2021-01-08","20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid","2021-01-13"],["371","2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE","C19 H17 N O7 S","O=S4(=O)N(c3c2OC(c1ccc(O)c(O)c1)=C(O)C(=O)c2cc(c3)C)CCC4;Cc1cc(N2CCC[S]2(=O)=O)c3OC(=C(O)C(=O)c3c1)c4ccc(O)c(O)c4;Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O","InChI=1S/C19H17NO7S/c1-10-7-12-16(23)17(24)18(11-3-4-14(21)15(22)9-11)27-19(12)13(8-10)20-5-2-6-28(20,25)26/h3-4,7-9,21-22,24H,2,5-6H2,1H3","","2006-07-31","2011-06-04","2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4H-chromen-4-one",""],["OQ6","methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate","C28 H25 Cl N8 O3","Clc1cc(c(cc1)n1cnnn1)c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1;COC(=O)Nc1ccc(cc1)c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5cc(Cl)ccc5n6cnnn6;COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])c5cc(ccc5n6cnnn6)Cl","InChI=1S/C28H25ClN8O3/c1-40-28(38)32-23-8-4-19(5-9-23)21-14-31-35(15-21)27(12-18-2-3-18)26-10-6-20(16-37(26)39)24-13-22(29)7-11-25(24)36-17-30-33-34-36/h4-11,13-18,27H,2-3,12H2,1H3,(H,32,38)/t27-/m1/s1","","2022-05-12","2022-07-29","methyl (4-{1-[(1R)-1-{(5P)-5-[(2M)-5-chloro-2-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}phenyl)carbamate","2022-08-03"],["372","N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide","C13 H13 N3 O2","O=C(Nc1cc2c(cc1)N(C(=O)C2CC#N)C)C;CN1C(=O)[CH](CC#N)c2cc(NC(C)=O)ccc12;CC(=O)Nc1ccc2c(c1)C(C(=O)N2C)CC#N","InChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17)/t10-/m1/s1","","2012-08-31","2013-07-05","N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide","2013-07-10"],["OQ7","methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate","C34 H45 N3 O8","C2C1C(COC1OC2)OC(=O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C(C5CCCC5)NC(OC)=O)=O)O;COC(=O)N[CH](C1CCCC1)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)Cc5ccccc5;COC(=O)NC(C1CCCC1)C(=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C34H45N3O8/c1-42-33(40)37-30(24-14-8-9-15-24)31(39)35-25(18-22-10-4-2-5-11-22)20-28(38)27(19-23-12-6-3-7-13-23)36-34(41)45-29-21-44-32-26(29)16-17-43-32/h2-7,10-13,24-30,32,38H,8-9,14-21H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25-,26-,27-,28-,29-,30-,32+/m0/s1","","2019-07-02","2020-06-26","methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate","2020-07-01"],["373","3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE","C24 H26 N4 O","O=C1Nc5ccccc5C=C1c3cc2cc(ccc2n3)CN4CCC(CC4)CN;NCC1CCN(CC1)Cc2ccc3[nH]c(cc3c2)C4=Cc5ccccc5NC4=O;c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN","InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29)","","2006-08-07","2011-06-04","3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1H-indol-2-yl)quinolin-2(1H)-one",""],["OQ8","~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide","C33 H40 F3 N7 O3","CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F;CCC(=O)N1CCC(C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC","InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1","","2020-03-27","2024-09-27","~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide","2020-08-12"],["374","(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone","C22 H24 F2 N2 O4","COc1ccc(c(F)c1)C(=O)N2C[CH](C)N([CH](C)C2)C(=O)c3ccc(OC)cc3F;CC1CN(CC(N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC","InChI=1S/C22H24F2N2O4/c1-13-11-25(21(27)17-7-5-15(29-3)9-19(17)23)12-14(2)26(13)22(28)18-8-6-16(30-4)10-20(18)24/h5-10,13-14H,11-12H2,1-4H3/t13-,14-/m1/s1","","2020-03-06","2021-01-08","(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone","2021-01-13"],["OQ9","4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C11 H13 N O2 S","CN(CCS)C(=O)c1ccc(C=O)cc1;CN(CCS)C(=O)c1ccc(cc1)C=O","InChI=1S/C11H13NO2S/c1-12(6-7-15)11(14)10-4-2-9(8-13)3-5-10/h2-5,8,15H,6-7H2,1H3","","2022-09-16","2023-03-24","4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2023-03-29"],["376","N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine","C18 H20 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc3c2ccccc2ccc3;OC[CH]1O[CH](NC(=O)C(=O)Nc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)cccc2NC(=O)C(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)18(27-12)20-17(26)16(25)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,18,21-24H,8H2,(H,19,25)(H,20,26)/t12-,13-,14+,15-,18-/m1/s1","","2008-04-23","2011-06-04","N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine",""],["377","Memantine","C12 H21 N","NC12CC3(CC(C1)(CC(C2)C3)C)C;C[C]12CC3C[C](C)(C1)CC(N)(C3)C2;CC12CC3CC(C1)(CC(C3)(C2)N)C","InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-","","2014-07-01","2014-09-19","(1r,3R,5S,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine","2014-09-24"],["OQA","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C33 H45 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(CC)C)NC(OC)=O;CC[CH](C)[CH](NC(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC","InChI=1S/C33H45N3O8/c1-4-21(2)29(36-32(39)41-3)30(38)35-26(18-23-13-9-6-10-14-23)27(37)19-24(17-22-11-7-5-8-12-22)34-33(40)44-28-20-43-31-25(28)15-16-42-31/h5-14,21,24-29,31,37H,4,15-20H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)/t21-,24+,25+,26+,27+,28+,29+,31-/m1/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["378","methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate","C42 H57 N5 O6 S","COC(=O)N[CH](C(=O)NN(CCC[C](O)(Cc1ccc(CC=C)cc1)C(=O)N[CH](C(C)C)C(=O)NCC=C)Cc2ccc(cc2)c3sccc3)C(C)(C)C;CC(C)C(C(=O)NCC=C)NC(=O)C(CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O","InChI=1S/C42H57N5O6S/c1-9-13-30-15-17-31(18-16-30)27-42(52,39(50)44-35(29(3)4)37(48)43-24-10-2)23-12-25-47(46-38(49)36(41(5,6)7)45-40(51)53-8)28-32-19-21-33(22-20-32)34-14-11-26-54-34/h9-11,14-22,26,29,35-36,52H,1-2,12-13,23-25,27-28H2,3-8H3,(H,43,48)(H,44,50)(H,45,51)(H,46,49)/t35-,36+,42+/m0/s1","","2014-02-10","2019-05-10","methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate","2014-12-17"],["OQB","4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID","C26 H22 N6 O5","O=C(O)CC(C=O)NC(=O)c1cnc(cc1)CNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4;OC(=O)C[CH](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1)C=O;c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)NC(CC(=O)O)C=O","InChI=1S/C26H22N6O5/c33-15-20(11-24(34)35)31-26(37)17-7-10-19(27-12-17)13-29-25(36)16-5-8-18(9-6-16)30-23-14-28-21-3-1-2-4-22(21)32-23/h1-10,12,14-15,20H,11,13H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t20-/m0/s1","","2004-01-09","2024-09-27","(3S)-4-oxo-3-[({6-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]pyridin-3-yl}carbonyl)amino]butanoic acid",""],["OQC","[3-chloranyl-4-(furan-3-yl)phenyl]methanamine","C11 H10 Cl N O","NCc1ccc(c(Cl)c1)c2cocc2;c1cc(c(cc1CN)Cl)c2ccoc2","InChI=1S/C11H10ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-5,7H,6,13H2","","2016-12-14","2017-05-19","[3-chloranyl-4-(furan-3-yl)phenyl]methanamine","2017-05-24"],["379","3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid","C18 H23 N2 O4 P","O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2cccnc2;N[CH](CCc1cccnc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(CP(=O)(C(CCc2cccnc2)N)O)C(=O)O","InChI=1S/C18H23N2O4P/c19-17(9-8-15-7-4-10-20-12-15)25(23,24)13-16(18(21)22)11-14-5-2-1-3-6-14/h1-7,10,12,16-17H,8-9,11,13,19H2,(H,21,22)(H,23,24)/t16-,17-/m1/s1","","2014-06-27","2014-09-19","(2S)-3-[(S)-[(1R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl]-2-benzylpropanoic acid","2014-09-24"],["OQD","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C33 H45 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)CC)NC(OC)=O;CC[CH](C)[CH](NC(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC","InChI=1S/C33H45N3O8/c1-4-21(2)29(36-32(39)41-3)30(38)35-26(18-23-13-9-6-10-14-23)27(37)19-24(17-22-11-7-5-8-12-22)34-33(40)44-28-20-43-31-25(28)15-16-42-31/h5-14,21,24-29,31,37H,4,15-20H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)/t21-,24-,25-,26-,27-,28-,29-,31+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["37A","(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE","C20 H21 N3 O5","O=C(N4CC3OC(C(=O)NCc2ccc(c1ccccc1)cc2)C(O3)C4)NO;ONC(=O)N1C[CH]2O[CH](C1)[CH](O2)C(=O)NCc3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)CNC(=O)C3C4CN(CC(O4)O3)C(=O)NO","InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1","(1S,5S,7R)-3-AZA-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-3,7-DICARBOXYLIC ACID 7-[(BIPHENYL-4-YLMETHYL)-AMIDE]-3-HYDROXYAMIDE","2006-08-04","2020-06-17","(1S,5S,7R)-N~7~-(biphenyl-4-ylmethyl)-N~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide",""],["OQE","[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid","C16 H18 N O5 P","O[P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2;c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O","InChI=1S/C16H18NO5P/c18-16(17-11-10-13-6-2-1-3-7-13)12-22-14-8-4-5-9-15(14)23(19,20)21/h1-9H,10-12H2,(H,17,18)(H2,19,20,21)","","2020-03-27","2020-09-11","[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid","2020-09-16"],["37B","(2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid","C19 H24 N O4 P","O=C(O)C(CP(=O)(O)C(N)CCc1ccccc1)Cc2ccccc2;N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccccc2)C(=O)O)O","InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1","","2014-06-27","2014-09-26","(2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid","2014-10-01"],["37D","methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate","C10 H10 N2 O3","O=C(OC)c2c(nnc2c1occc1)C;COC(=O)c1c(C)n[nH]c1c2occc2;Cc1c(c([nH]n1)c2ccco2)C(=O)OC","InChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)","","2009-06-25","2011-06-04","methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate",""],["OQF","2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide","C20 H20 N6 O S","O=C(Cn1nnc2ccccc21)N(Cc1cscn1)c1ccc(cc1)N(C)C;CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3nnc4ccccc34;CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C20H20N6OS/c1-24(2)16-7-9-17(10-8-16)25(11-15-13-28-14-21-15)20(27)12-26-19-6-4-3-5-18(19)22-23-26/h3-10,13-14H,11-12H2,1-2H3","","2023-08-17","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide","2023-11-08"],["OQG","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C32 H43 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)C)NC(OC)=O;COC(=O)N[CH](C(C)C)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC","InChI=1S/C32H43N3O8/c1-20(2)28(35-31(38)40-3)29(37)34-25(17-22-12-8-5-9-13-22)26(36)18-23(16-21-10-6-4-7-11-21)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h4-13,20,23-28,30,36H,14-19H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["37E","[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid","C8 H19 N2 O3 P","O=P(O)(O)C(N)CNC1CCCCC1;N[CH](CNC1CCCCC1)[P](O)(O)=O;C1CCC(CC1)NCC(N)P(=O)(O)O","InChI=1S/C8H19N2O3P/c9-8(14(11,12)13)6-10-7-4-2-1-3-5-7/h7-8,10H,1-6,9H2,(H2,11,12,13)/t8-/m1/s1","","2014-06-27","2014-09-19","[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid","2014-09-24"],["37F","N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide","C27 H24 F3 N5 O2","FC(F)(F)C1=CC(=O)NC=C1C(=O)Nc5c(N2CCN(C)CC2)ccc(c3cc4ccccc4nc3)c5;CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cnc5ccccc5c4;CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4","InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)24-7-6-17(19-12-18-4-2-3-5-22(18)31-15-19)13-23(24)33-26(37)20-16-32-25(36)14-21(20)27(28,29)30/h2-7,12-16H,8-11H2,1H3,(H,32,36)(H,33,37)","","2014-06-30","2014-07-25","N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide","2014-07-30"],["OQH","~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide","C12 H15 N O2","CCNC(=O)CCC(=O)c1ccccc1;CCNC(=O)CCC(=O)c1ccccc1","InChI=1S/C12H15NO2/c1-2-13-12(15)9-8-11(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)","","2020-03-30","2020-04-03","~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide","2020-04-08"],["37G","6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid","C28 H22 Cl2 N2 O4","O=C(O)c2c1ccc(cc1nc2)c5ccc(OCc4c(onc4c3c(Cl)cccc3Cl)C(C)C)cc5;CC(C)c1onc(c1COc2ccc(cc2)c3ccc4c([nH]cc4C(O)=O)c3)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O","InChI=1S/C28H22Cl2N2O4/c1-15(2)27-21(26(32-36-27)25-22(29)4-3-5-23(25)30)14-35-18-9-6-16(7-10-18)17-8-11-19-20(28(33)34)13-31-24(19)12-17/h3-13,15,31H,14H2,1-2H3,(H,33,34)","","2011-05-10","2011-09-16","6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid",""],["OQI","methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate","C28 H24 Cl F N8 O3","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1;COC(=O)Nc1ccc(cc1)c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6","InChI=1S/C28H24ClFN8O3/c1-41-28(39)33-21-7-4-18(5-8-21)20-13-32-36(14-20)25(12-17-2-3-17)23-10-6-19(15-38(23)40)26-24(37-16-31-34-35-37)11-9-22(29)27(26)30/h4-11,13-17,25H,2-3,12H2,1H3,(H,33,39)/t25-/m1/s1","","2022-05-13","2022-07-29","methyl (4-{1-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}phenyl)carbamate","2022-08-03"],["37H","(5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine","C17 H27 N9 O5","O=C(O)C(N)CCC(CNC(=[N@H])N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC[CH](CNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)CNC(=N)N)O)O)N","InChI=1S/C17H27N9O5/c18-8(16(29)30)2-1-7(4-22-17(20)21)3-9-11(27)12(28)15(31-9)26-6-25-10-13(19)23-5-24-14(10)26/h5-9,11-12,15,27-28H,1-4,18H2,(H,29,30)(H2,19,23,24)(H4,20,21,22)/t7-,8-,9+,11+,12+,15+/m0/s1","","2014-06-30","2014-07-11","(5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine","2014-07-16"],["OQJ","N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide","C22 H17 Cl N4 O3 S","c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC;COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2;COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl","InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28)","","2019-07-02","2020-02-21","N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide","2020-02-26"],["OQK","2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid","C17 H11 F3 N4 O2 S","OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F;c1ccc(c(c1)C=Nn2c(nnc2S)c3ccc(cc3)C(F)(F)F)C(=O)O","InChI=1S/C17H11F3N4O2S/c18-17(19,20)12-7-5-10(6-8-12)14-22-23-16(27)24(14)21-9-11-3-1-2-4-13(11)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+","","2022-09-18","2023-12-22","2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid","2023-12-27"],["37I","4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine","C17 H21 Cl N8","CC1(N)CCN(CC1)c1nc2[NH]nc(c2nc1)c1ccnc(NC)c1Cl;CNc1nccc(c1Cl)c2n[nH]c3nc(cnc23)N4CCC(C)(N)CC4;CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N","InChI=1S/C17H21ClN8/c1-17(19)4-7-26(8-5-17)11-9-22-14-13(24-25-16(14)23-11)10-3-6-21-15(20-2)12(10)18/h3,6,9H,4-5,7-8,19H2,1-2H3,(H,20,21)(H,23,24,25)","","2021-06-30","2021-10-22","4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine","2021-10-27"],["37J","2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide","C20 H11 F6 N5 O3 S","O=C(Nc3nc(C(=O)Nc2nc1ccc(cc1n2)C(F)(F)F)cs3)c4ccccc4OC(F)(F)F;FC(F)(F)Oc1ccccc1C(=O)Nc2scc(n2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F;c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F","InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)","","2014-07-01","2014-10-03","2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide","2014-10-08"],["OQL","(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C19 H16 Cl N3 O","Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2NCC[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4)Cl","InChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1","","2023-08-17","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["37K","(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate","C46 H60 N2 O10","O=C(N1CCCCC1C(=O)OC(c3cc(OCCN2CCOCC2)ccc3)CCc4ccc(OC)c(OC)c4)C(c5cc(OC)c(OC)c(OC)c5)C6C=CCCC6;COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]([CH]3CCCC=C3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCCN6CCOCC6)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)C(c5cc(c(c(c5)OC)OC)OC)C6CCCC=C6","InChI=1S/C46H60N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h7,11-12,14-15,18,20,28-31,33,37-38,43H,6,8-10,13,16-17,19,21-27H2,1-5H3/t33-,37+,38-,43+/m1/s1","","2014-07-04","2014-11-21","(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate","2014-11-26"],["OQM","2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide","C21 H17 F3 N6 O","c3(c1cnccc1)nc2nc(c(c(C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C;Cc1nc2nc(nn2c(C)c1CC(=O)Nc3cccc(c3)C(F)(F)F)c4cccnc4;Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C21H17F3N6O/c1-12-17(10-18(31)27-16-7-3-6-15(9-16)21(22,23)24)13(2)30-20(26-12)28-19(29-30)14-5-4-8-25-11-14/h3-9,11H,10H2,1-2H3,(H,27,31)","","2019-07-02","2020-02-21","2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide","2020-02-26"],["37L","(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid","C39 H47 N O11","O=C(N3C(C(=O)OC(c1cccc(OCC(=O)O)c1)CCc2ccc(OC)c(OC)c2)CCCC3)C(c4cc(OC)c(OC)c(OC)c4)CC=C;COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](CC=C)c3cc(OC)c(OC)c(OC)c3)c4cccc(OCC(O)=O)c4)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(CC=C)c4cc(c(c(c4)OC)OC)OC","InChI=1S/C39H47NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h7,10,12-13,16,18,20-23,29-31H,1,8-9,11,14-15,17,19,24H2,2-6H3,(H,41,42)/t29-,30-,31+/m0/s1","","2014-07-01","2014-11-21","(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid","2014-11-26"],["OQN","6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C18 H18 N6 O","CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1;CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N","InChI=1S/C18H18N6O/c1-20-18-21-13-9-12-14(22-17(19)24-16(12)25)11(15(13)23-18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,20,21,23)(H3,19,22,24,25)","6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","2020-03-30","2021-03-13","6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","2020-04-08"],["OQO","5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine","C26 H23 Cl F N9 O","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(N)nc1C;Cc1nc(N)ccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;Cc1c(ccc(n1)N)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6","InChI=1S/C26H23ClFN9O/c1-15-19(5-9-24(29)32-15)18-11-31-35(12-18)23(10-16-2-3-16)21-7-4-17(13-37(21)38)25-22(36-14-30-33-34-36)8-6-20(27)26(25)28/h4-9,11-14,16,23H,2-3,10H2,1H3,(H2,29,32)/t23-/m1/s1","","2022-05-13","2022-07-29","(5P)-5-(1-{(1R)-1-[(5M)-5-{[1(6)M]-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl}-1-oxo-1lambda~5~-pyridin-2-yl]-2-cyclopropylethyl}-1H-pyrazol-4-yl)-6-methylpyridin-2-amine","2022-08-03"],["37M","2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid","C63 H64 N2 O15","O=C(N1CCCCC1C(=O)OC(c6cc(OCC(=O)NCc5c(O)ccc2c5OC=4C(=C2c3ccccc3C(=O)O)C=CC(=O)C=4)ccc6)CCc7ccc(OC)c(OC)c7)C(c8cc(OC)c(OC)c(OC)c8)C9C=CCCC9;COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]([CH]3CCCC=C3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(=O)NCc6c(O)ccc7c6OC8=CC(=O)C=CC8=C7c9ccccc9C(O)=O)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)C7CCCCN7C(=O)C(c8cc(c(c(c8)OC)OC)OC)C9CCCC=C9","InChI=1S/C63H64N2O15/c1-73-51-28-22-37(30-53(51)74-2)21-27-50(80-63(72)48-20-11-12-29-65(48)61(69)57(38-14-7-6-8-15-38)40-32-54(75-3)60(77-5)55(33-40)76-4)39-16-13-17-42(31-39)78-36-56(68)64-35-47-49(67)26-25-46-58(43-18-9-10-19-44(43)62(70)71)45-24-23-41(66)34-52(45)79-59(46)47/h7,9-10,13-14,16-19,22-26,28,30-34,38,48,50,57,67H,6,8,11-12,15,20-21,27,29,35-36H2,1-5H3,(H,64,68)(H,70,71)/t38-,48+,50-,57+/m1/s1","","2014-07-01","2014-11-21","2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid","2014-11-26"],["37N","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid","C18 H16 N2 O5 S","O=C(O)c2cc(cc(NS(=O)(=O)c1ccccc1)c2)c3c(onc3C)C;Cc1onc(C)c1c2cc(N[S](=O)(=O)c3ccccc3)cc(c2)C(O)=O;Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O","InChI=1S/C18H16N2O5S/c1-11-17(12(2)25-19-11)13-8-14(18(21)22)10-15(9-13)20-26(23,24)16-6-4-3-5-7-16/h3-10,20H,1-2H3,(H,21,22)","","2014-07-01","2014-12-19","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid","2014-12-24"],["OQP","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate","C33 H43 N3 O8","C2(C1CCOC1OC2)OC(=O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C5(CCCC5)NC(=O)OC)=O)O;COC(=O)NC1(CCCC1)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)Cc5ccccc5;COC(=O)NC1(CCCC1)C(=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O","InChI=1S/C33H43N3O8/c1-41-32(40)36-33(15-8-9-16-33)30(38)34-24(18-22-10-4-2-5-11-22)20-27(37)26(19-23-12-6-3-7-13-23)35-31(39)44-28-21-43-29-25(28)14-17-42-29/h2-7,10-13,24-29,37H,8-9,14-21H2,1H3,(H,34,38)(H,35,39)(H,36,40)/t24-,25-,26-,27-,28-,29+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["37O","N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide","C35 H40 N8 O4","O=C(Nc1ccc(cc1)CN4c2nc(ncc2CN(c3cc(OC)cc(OC)c3)C4=O)Nc5ccc(cc5)N6CCN(C)CC6)CC;CCC(=O)Nc1ccc(CN2C(=O)N(Cc3cnc(Nc4ccc(cc4)N5CCN(C)CC5)nc23)c6cc(OC)cc(OC)c6)cc1;CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC","InChI=1S/C35H40N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h6-13,18-21H,5,14-17,22-23H2,1-4H3,(H,37,44)(H,36,38,39)","","2014-07-01","2024-09-27","N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide","2014-10-29"],["OQQ","6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C19 H17 F3 N6 O","CNc1[nH]c2cc3C(=O)N=C(N)Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1;CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N","InChI=1S/C19H17F3N6O/c1-24-18-25-13-8-12-14(26-17(23)28-16(12)29)11(15(13)27-18)7-4-9-2-5-10(6-3-9)19(20,21)22/h2-3,5-6,8H,4,7H2,1H3,(H2,24,25,27)(H3,23,26,28,29)","6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one","2020-03-30","2021-03-13","6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one","2020-04-08"],["37P","5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine","C27 H27 N7 O10 S","O=C1C=C5Oc6cc(O)ccc6N=C5C=C1CCCCC(=O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)CCCCC4=CC5=Nc6ccc(O)cc6OC5=CC4=O)[CH](O)[CH]3O;c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C27H27N7O10S/c28-25-22-26(30-11-29-25)34(12-31-22)27-24(39)23(38)20(44-27)10-42-45(40,41)33-21(37)4-2-1-3-13-7-16-19(9-17(13)36)43-18-8-14(35)5-6-15(18)32-16/h5-9,11-12,20,23-24,27,35,38-39H,1-4,10H2,(H,33,37)(H2,28,29,30)/t20-,23-,24-,27+/m1/s1","","2014-07-01","2014-10-17","5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine","2014-10-22"],["OQR","{(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol","C14 H21 N3 O3","C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O-])=O;CC(C)NC[CH]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O;CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO","InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1","oxamniquine","2015-06-11","2020-06-17","{(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol","2015-09-30"],["OQS","N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide","C21 H15 Cl F3 N5 O3","c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c1)Cl)=O)C=Nc23)=O)ccc(c4)OC;COc1ccc(cc1)n2ncc3C(=O)N(CC(=O)Nc4cc(ccc4Cl)C(F)(F)F)C=Nc23;COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F","InChI=1S/C21H15ClF3N5O3/c1-33-14-5-3-13(4-6-14)30-19-15(9-27-30)20(32)29(11-26-19)10-18(31)28-17-8-12(21(23,24)25)2-7-16(17)22/h2-9,11H,10H2,1H3,(H,28,31)","","2019-07-02","2020-02-21","N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide","2020-02-26"],["37Q","N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide","C20 H16 N6 O","O=C(C=C)Nc1ccc2ncn(c2c1)c4nc(Nc3ccccc3)cnc4;C=CC(=O)Nc1ccc2ncn(c3cncc(Nc4ccccc4)n3)c2c1;C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4","InChI=1S/C20H16N6O/c1-2-20(27)24-15-8-9-16-17(10-15)26(13-22-16)19-12-21-11-18(25-19)23-14-6-4-3-5-7-14/h2-13H,1H2,(H,23,25)(H,24,27)","","2014-07-01","2024-09-27","N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide","2015-01-14"],["37R","5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide","C17 H18 N2 O4","O=C(N)CCCCc2cc1Nc3c(Oc1cc2O)cc(O)cc3;NC(=O)CCCCc1cc2Nc3ccc(O)cc3Oc2cc1O;c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O","InChI=1S/C17H18N2O4/c18-17(22)4-2-1-3-10-7-13-16(9-14(10)21)23-15-8-11(20)5-6-12(15)19-13/h5-9,19-21H,1-4H2,(H2,18,22)","","2014-07-01","2014-10-17","5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide","2014-10-22"],["OQT","2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide","C16 H13 F3 N2 O2 S","N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23;c1ccc2c(c1)CC=CC2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F","InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1","2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide","2020-03-30","2021-04-02","2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide","2021-04-07"],["OQU","4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol","C10 H6 Br F3 N4 S","FC(F)(F)c1nnc(S)n1N=Cc2cccc(Br)c2;c1cc(cc(c1)Br)C=Nn2c(nnc2S)C(F)(F)F","InChI=1S/C10H6BrF3N4S/c11-7-3-1-2-6(4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+","","2022-09-18","2023-12-22","4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol","2023-12-27"],["37T","THEOBROMINE","C7 H8 N4 O2","O=C2N(c1ncn(c1C(=O)N2)C)C;Cn1cnc2N(C)C(=O)NC(=O)c12;Cn1cnc2c1C(=O)NC(=O)N2C","InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)","3,7-DIMETHYLXANTHINE; 3,7-DIMETHYLPURINE-2,6-DIONE","2007-03-02","2020-05-26","3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione",""],["37U","D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide","C21 H24 F N3 O2","O=C(NCc1cccc(F)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cccc(F)c3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cccc(c3)F)N","InChI=1S/C21H24FN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1","(2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-((3-fluorophenyl)methyl)pyrrolidine-2-carboxamide","2007-11-30","2021-03-01","D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide",""],["OQV","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C33 H45 N3 O8","c1(ccccc1)CC(C(CC(Cc2ccccc2)NC(C(C(C)(C)C)NC(OC)=O)=O)O)NC(OC3C4C(OC3)OCC4)=O;COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)Cc4ccccc4)C(C)(C)C;CC(C)(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC","InChI=1S/C33H45N3O8/c1-33(2,3)28(36-31(39)41-4)29(38)34-23(17-21-11-7-5-8-12-21)19-26(37)25(18-22-13-9-6-10-14-22)35-32(40)44-27-20-43-30-24(27)15-16-42-30/h5-14,23-28,30,37H,15-20H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)/t23-,24-,25-,26-,27-,28+,30+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["OQW","2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide","C14 H19 F3 N2 O2 S","N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2;c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F","InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21)","2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide","2020-03-30","2021-04-02","2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide","2021-04-07"],["37V","{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid","C17 H13 F N2 O4 S","O=C(O)COc1cc(F)ccc1C(=O)NCc2nc3ccccc3s2;OC(=O)COc1cc(F)ccc1C(=O)NCc2sc3ccccc3n2;c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F","InChI=1S/C17H13FN2O4S/c18-10-5-6-11(13(7-10)24-9-16(21)22)17(23)19-8-15-20-12-3-1-2-4-14(12)25-15/h1-7H,8-9H2,(H,19,23)(H,21,22)","","2014-07-01","2015-08-07","{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid","2015-08-12"],["37W","5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid","C19 H22 N2 O4 S","O=C(Nc1sc(c(c1C(=O)N)c2ccc(c(c2)C)C)C)CCCC(=O)O;Cc1sc(NC(=O)CCCC(O)=O)c(C(N)=O)c1c2ccc(C)c(C)c2;Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C","InChI=1S/C19H22N2O4S/c1-10-7-8-13(9-11(10)2)16-12(3)26-19(17(16)18(20)25)21-14(22)5-4-6-15(23)24/h7-9H,4-6H2,1-3H3,(H2,20,25)(H,21,22)(H,23,24)","","2014-07-02","2015-05-08","5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid","2015-05-13"],["OQX","2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide","C22 H19 Cl N4 O2","COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21;COc1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34;COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3","InChI=1S/C22H19ClN4O2/c1-29-19-11-9-18(10-12-19)26(14-16-5-4-6-17(23)13-16)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3","","2023-08-17","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide","2023-11-08"],["37X","Octyl Glucose Neopentyl Glycol ","C27 H52 O12","O(CC(CCCCCC)(CCCCCC)COC1OC(CO)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO;CCCCCCC(CCCCCC)(CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CCCCCCC(CCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)COC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C27H52O12/c1-3-5-7-9-11-27(12-10-8-6-4-2,15-36-25-23(34)21(32)19(30)17(13-28)38-25)16-37-26-24(35)22(33)20(31)18(14-29)39-26/h17-26,28-35H,3-16H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1","","2014-07-02","2014-09-05","2-[(beta-L-glucopyranosyloxy)methyl]-2-hexyloctyl beta-L-glucopyranoside","2014-08-06"],["OQY","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C33 H45 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)(C)C)NC(OC)=O;COC(=O)N[CH](C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)C(C)(C)C;CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC","InChI=1S/C33H45N3O8/c1-33(2,3)28(36-31(39)41-4)29(38)35-25(18-22-13-9-6-10-14-22)26(37)19-23(17-21-11-7-5-8-12-21)34-32(40)44-27-20-43-30-24(27)15-16-42-30/h5-14,23-28,30,37H,15-20H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)/t23-,24-,25-,26-,27-,28+,30+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["OQZ","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide","C19 H22 Cl N3 O2 S","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3sc(Cl)cc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(s3)Cl)N","InChI=1S/C19H22ClN3O2S/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1","","2020-03-31","2021-04-09","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide","2021-04-14"],["37Y","N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide","C31 H48 N4 O7","O=C(NC(C(=O)NC(C(=O)NC(C(=O)C(C)CO)CC1CCCCC1)Cc2ccc(OC)cc2)C)CN3CCOCC3;COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](CC3CCCCC3)C(=O)[CH](C)CO)cc1;CC(CO)C(=O)C(CC1CCCCC1)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3","InChI=1S/C31H48N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h9-12,21-23,26-27,36H,4-8,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22-,26+,27+/m1/s1","","2014-07-07","2014-07-18","N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide","2014-07-23"],["OR0","5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine","C25 H20 Cl F2 N9 O","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(N)nc1F;Nc1ccc(c(F)n1)c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5cc(cn5)c6ccc(nc6F)N","InChI=1S/C25H20ClF2N9O/c26-18-5-7-20(36-13-30-33-34-36)23(24(18)27)15-3-6-19(37(38)12-15)21(9-14-1-2-14)35-11-16(10-31-35)17-4-8-22(29)32-25(17)28/h3-8,10-14,21H,1-2,9H2,(H2,29,32)/t21-/m1/s1","","2022-05-13","2022-07-29","(5M)-5-{1-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}-6-fluoropyridin-2-amine","2022-08-03"],["37Z","sym-homospermidine","C8 H21 N3","NCCCCNCCCCN;NCCCCNCCCCN;C(CCNCCCCN)CN","InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2","","2014-07-02","2015-07-02","N-(4-aminobutyl)butane-1,4-diamine","2015-07-07"],["OR1","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate","C35 H42 N2 O7","C(C(C(CC(NC(OC1C2C(OC1)OCC2)=O)Cc3ccccc3)O)NC(=O)COc4c(cccc4C)C)c5ccccc5;Cc1cccc(C)c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O)C","InChI=1S/C35H42N2O7/c1-23-10-9-11-24(2)33(23)42-22-32(39)37-29(19-26-14-7-4-8-15-26)30(38)20-27(18-25-12-5-3-6-13-25)36-35(40)44-31-21-43-34-28(31)16-17-41-34/h3-15,27-31,34,38H,16-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28-,29-,30-,31-,34+/m0/s1","","2019-07-02","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["380","(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE","C24 H26 N4 O3","O=C(NCc1ccccc1)C(c2cc(OC)c(OC)cc2)Nc3ccc(C(=[N@H])N)cc3;COc1ccc(cc1OC)[CH](Nc2ccc(cc2)C(N)=N)C(=O)NCc3ccccc3;COc1ccc(cc1OC)C(C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N","InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)/t22-/m1/s1","","2004-07-06","2011-06-04","(2R)-N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethoxyphenyl)ethanamide",""],["OR4","[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid","C17 H14 O4","C(O)(Cc1c3c(oc1)cc(OCc2ccccc2)cc3)=O;OC(=O)Cc1coc2cc(OCc3ccccc3)ccc12;c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O","InChI=1S/C17H14O4/c18-17(19)8-13-11-21-16-9-14(6-7-15(13)16)20-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)","","2019-07-02","2019-11-01","[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid","2019-11-06"],["381","(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid","C10 H22 N O2 P","O=P(O)(CC1CCCCC1)CCCN;NCCC[P](O)(=O)CC1CCCCC1;C1CCC(CC1)CP(=O)(CCCN)O","InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)","CGP 46381","2013-09-19","2021-03-01","(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid","2013-12-11"],["382","(R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE","C22 H23 F2 N7 O","FC(F)(C1NCCCC1)CNc3nccc2oc(nc23)Cc5ccccc5n4ncnc4;FC(F)(CNc1nccc2oc(Cc3ccccc3n4cncn4)nc12)[CH]5CCCCN5;c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC(C4CCCCN4)(F)F)n5cncn5","InChI=1S/C22H23F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-2,5-6,8,10,13-14,18,26H,3-4,7,9,11-12H2,(H,27,28)/t18-/m1/s1","N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE","2005-04-28","2021-03-13","N-{2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}-2-[2-(1H-1,2,4-triazol-1-yl)benzyl][1,3]oxazolo[4,5-c]pyridin-4-amine",""],["OR5","OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE","C5 H13 O8 P","O=P(O)(O)OCC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)O)O)O)O)O","InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H","","2004-08-19","2008-10-14","5-O-phosphono-D-ribitol",""],["383","[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID","C17 H23 N3 O9","O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O;N[CH](Cc1ccc(O)cc1)C(=O)N[CH]([CH]2[CH](O)[C]3(O)CO[CH]([CH]3O)N2O)C(O)=O;c1cc(ccc1CC(C(=O)NC(C2C(C3(COC(C3O)N2O)O)O)C(=O)O)N)O","InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1","SB-219383","2001-07-05","2021-03-01","(2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid",""],["OR6","(2~{S})-2-butyl-3-methylidene-butanedioic acid","C9 H14 O4","CCCC[CH](C(O)=O)C(=C)C(O)=O;CCCCC(C(=C)C(=O)O)C(=O)O","InChI=1S/C9H14O4/c1-3-4-5-7(9(12)13)6(2)8(10)11/h7H,2-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1","","2023-02-09","2024-01-05","(2~{S})-2-butyl-3-methylidene-butanedioic acid","2024-01-10"],["384","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C20 H28 Cl2 N2 O6 S","Clc1cc(cc(Cl)c1)S(=O)(=O)N2C3C(=O)N(CC(OCCOC)C2CCC3)CCOC;COCCO[CH]1CN(CCOC)C(=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3;COCCN1CC(C2CCCC(C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC","InChI=1S/C20H28Cl2N2O6S/c1-28-7-6-23-13-19(30-9-8-29-2)17-4-3-5-18(20(23)25)24(17)31(26,27)16-11-14(21)10-15(22)12-16/h10-12,17-19H,3-9,13H2,1-2H3/t17-,18+,19+/m1/s1","","2014-07-03","2014-10-10","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2014-10-15"],["OR7","2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide","C12 H16 Cl2 N2 O4 S","C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=O)Cl;COCCN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl;CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl","InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)","","2019-07-03","2024-09-27","2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide","2019-07-24"],["385","(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE","C33 H41 N3 O10 S2","O=S(=O)(c2ccc1OCOc1c2)N(CC(C)C)CC(O)C(NC(=O)OC3C4CCOC4OC3)Cc6ccc(OCc5nc(sc5)C)cc6;CC(C)CN(C[CH](O)[CH](Cc1ccc(OCc2csc(C)n2)cc1)NC(=O)O[CH]3CO[CH]4OCC[CH]34)[S](=O)(=O)c5ccc6OCOc6c5;Cc1nc(cs1)COc2ccc(cc2)CC(C(CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)OC5COC6C5CCO6","InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1","","2006-01-23","2011-06-04","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate",""],["OR8","2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE","C17 H19 Cl N4 O3 S","Clc1n(nc(c1S(=O)(=O)NCc3ccc(c2c(onc2C)C)cc3)C)C;Cn1nc(C)c(c1Cl)[S](=O)(=O)NCc2ccc(cc2)c3c(C)onc3C;Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C","InChI=1S/C17H19ClN4O3S/c1-10-15(12(3)25-21-10)14-7-5-13(6-8-14)9-19-26(23,24)16-11(2)20-22(4)17(16)18/h5-8,19H,9H2,1-4H3","","2011-06-15","2014-09-05","5-chloro-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)benzyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide",""],["OR9","(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol","C17 H17 N O2","C12Cc4ccc(c(c4c3c1c(CCN2C)ccc3)O)O;CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34;CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O","InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1","","2020-08-24","2021-02-19","(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol","2021-02-24"],["386","N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide","C20 H10 F5 N5 O5 S","O=C(Nc4nc(C(=O)Nc3nc2cc1OC(F)(F)Oc1cc2n3)cs4)c5ccccc5OC(F)(F)F;FC(F)(F)Oc1ccccc1C(=O)Nc2scc(n2)C(=O)Nc3[nH]c4cc5OC(F)(F)Oc5cc4n3;c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F","InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)","","2014-07-03","2014-09-05","N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide","2014-07-30"],["ORA","7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid","C16 H12 N2 O7 S2","O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c1ccccc1)cc(c3)S(=O)(=O)O;Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)[S](O)(=O)=O)[S](O)(=O)=O;c1ccc(cc1)N=Nc2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O","InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+","Orange G","2010-10-27","2021-03-01","7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid",""],["387","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea","C17 H19 Cl2 N3 O2","Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2cccc(O)c2;Oc1cccc(NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2)c1;c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl","InChI=1S/C17H19Cl2N3O2/c18-13-7-12(8-14(19)9-13)11-20-5-2-6-21-17(24)22-15-3-1-4-16(23)10-15/h1,3-4,7-10,20,23H,2,5-6,11H2,(H2,21,22,24)","","2011-10-07","2012-09-28","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea","2012-09-28"],["388","(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID","C16 H12 Br Cl F N O4","Brc1cc(F)c(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2F;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br","InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)","IDD388","2006-10-05","2020-06-17","{2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid",""],["ORB","N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE","C18 H17 Cl F N3 O3 S","O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2cc(F)cnc2Cl)cc3)C;C[CH](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc2)c3cc(F)cnc3Cl;Cc1c(c(on1)C)S(=O)(=O)NC(C)c2ccc(cc2)c3cc(cnc3Cl)F","InChI=1S/C18H17ClFN3O3S/c1-10(23-27(24,25)17-11(2)22-26-12(17)3)13-4-6-14(7-5-13)16-8-15(20)9-21-18(16)19/h4-10,23H,1-3H3/t10-/m1/s1","","2011-06-15","2014-09-05","N-{(1R)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide",""],["ORC","(R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE","C18 H21 N3 O4 S","O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2c(onc2C)C)cc3)C;C[CH](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc2)c3c(C)onc3C;Cc1c(c(on1)C)c2ccc(cc2)C(C)NS(=O)(=O)c3c(noc3C)C","InChI=1S/C18H21N3O4S/c1-10(21-26(22,23)18-12(3)20-25-14(18)5)15-6-8-16(9-7-15)17-11(2)19-24-13(17)4/h6-10,21H,1-5H3/t10-/m1/s1","","2011-06-15","2014-09-05","N-{(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide",""],["389","L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide","C27 H36 N4 O3","CC(C)[CH](NC(=O)[CH](C)N)C(=O)N1CCC[CH]1C(=O)NCC(c2ccccc2)c3ccccc3;CC(C)C(C(=O)N1CCCC1C(=O)NCC(c2ccccc2)c3ccccc3)NC(=O)C(C)N","InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1","","2008-11-12","2012-01-05","",""],["38A","(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol","C12 H18 O3","OCc1c(c(c(c(c1C)CO)C)CO)C;Cc1c(CO)c(C)c(CO)c(C)c1CO;Cc1c(c(c(c(c1CO)C)CO)C)CO","InChI=1S/C12H18O3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h13-15H,4-6H2,1-3H3","","2014-07-03","2024-09-27","(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol","2015-02-04"],["ORD","D-ORNITHINE","C5 H12 N2 O2","O=C(O)C(N)CCCN;NCCC[CH](N)C(O)=O;C(CC(C(=O)O)N)CN","InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1","","2010-09-08","2024-09-27","D-ornithine",""],["ORE","4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID","C21 H10 F2 O7","O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4;OC(=O)c1ccc(c(c1)C(O)=O)C2=C3C=C(F)C(=O)C=C3Oc4cc(O)c(F)cc24;c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F","InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29)","OREGON GREEN 488 CARBOXYLATE","2005-07-21","2020-06-17","4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid",""],["38B","3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one","C13 H11 N3 O3","O=C2NC(=Nc1onc(c12)c3ccccc3OC)C;COc1ccccc1c2noc3N=C(C)NC(=O)c23;CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1","InChI=1S/C13H11N3O3/c1-7-14-12(17)10-11(16-19-13(10)15-7)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,15,17)","","2014-07-03","2014-09-05","3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one","2014-08-06"],["ORF","3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine","C25 H18 Cl2 F2 N8 O","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1c(F)cncc1Cl;[O-][n+]1cc(ccc1[CH](CC2CC2)n3cc(cn3)c4c(F)cncc4Cl)c5c(F)c(Cl)ccc5n6cnnn6;c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5cc(cn5)c6c(cncc6Cl)F","InChI=1S/C25H18Cl2F2N8O/c26-17-4-6-21(36-13-31-33-34-36)24(25(17)29)15-3-5-20(37(38)12-15)22(7-14-1-2-14)35-11-16(8-32-35)23-18(27)9-30-10-19(23)28/h3-6,8-14,22H,1-2,7H2/t22-/m1/s1","","2022-05-13","2022-07-29","(5M)-2-{(1R)-1-[(4M)-4-(3-chloro-5-fluoropyridin-4-yl)-1H-pyrazol-1-yl]-2-cyclopropylethyl}-5-{[1(6)M]-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl}-1-oxo-1lambda~5~-pyridine","2022-08-03"],["38C","3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","C18 H14 F3 N3 O3","FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(OC)cc3;COc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1;COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O","InChI=1S/C18H14F3N3O3/c1-27-12-5-2-10(3-6-12)9-22-16-15(17(25)26)23-13-7-4-11(18(19,20)21)8-14(13)24-16/h2-8H,9H2,1H3,(H,22,24)(H,25,26)","","2014-04-04","2014-12-05","3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","2014-12-10"],["38D","N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide","C14 H10 Cl2 N2 O3","Clc2cc(Cl)ccc2/C=N/NC(=O)c1ccc(O)c(O)c1;Oc1ccc(cc1O)C(=O)NN=Cc2ccc(Cl)cc2Cl;c1cc(c(cc1C(=O)NN=Cc2ccc(cc2Cl)Cl)O)O","InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+","","2014-07-03","2015-08-21","N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide","2015-08-26"],["ORG","4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile","C14 H21 N7","N#Cc1nc(NC2CCCCC2)nc(n1)N3CCNCC3;C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N","InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)","","2009-12-22","2024-09-27","4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile",""],["38E","(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one","C12 H10 F2 N2 O2","O=C1C(N=C(N1C)C)=Cc2cc(F)c(O)c(F)c2;CN1C(=NC(=Cc2cc(F)c(O)c(F)c2)C1=O)C;CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1C","InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5-","","2014-07-03","2014-09-05","(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one","2014-07-23"],["ORH","3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile","C19 H20 F3 N5 O2","FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3CCCCC3)C2=O;c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F","InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2","","2009-12-22","2024-09-27","3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile",""],["38F","(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol","C20 H25 N O2","O(c1cc(c(cc1)C)C)CC(O)CNC3Cc2ccccc2C3;Cc1ccc(OC[CH](O)CNC2Cc3ccccc3C2)cc1C;Cc1ccc(cc1C)OCC(CNC2Cc3ccccc3C2)O","InChI=1S/C20H25NO2/c1-14-7-8-20(9-15(14)2)23-13-19(22)12-21-18-10-16-5-3-4-6-17(16)11-18/h3-9,18-19,21-22H,10-13H2,1-2H3/t19-/m0/s1","","2014-07-04","2014-09-05","(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol","2014-08-06"],["ORI","4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid","C16 H12 N2 O4 S","O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3;Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13;c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O)(=O)O","InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+","Orange I","2013-03-12","2021-03-01","4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid","2014-02-12"],["ORJ","2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide","C16 H13 F N2 O3 S","n2c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F;CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O;CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F","InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21)","","2019-07-03","2020-06-26","2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide","2020-07-01"],["38G","4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol","C24 H27 N5 O3","n2cc(c1cccc(c1)C(O)NCCN(C)C)n3nc(ccc23)c4ccc(O)c(OC)c4;COc1cc(ccc1O)c2ccc3ncc(n3n2)c4cccc(c4)[CH](O)NCCN(C)C;CN(C)CCNC(c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O","InChI=1S/C24H27N5O3/c1-28(2)12-11-25-24(31)18-6-4-5-17(13-18)20-15-26-23-10-8-19(27-29(20)23)16-7-9-21(30)22(14-16)32-3/h4-10,13-15,24-25,30-31H,11-12H2,1-3H3/t24-/m1/s1","","2014-07-04","2014-09-05","4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol","2014-07-23"],["38H","2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid","C35 H28 N8 O4 S2","O=C(O)c1nc(sc1CCCOc4ccc(n3ncc2cncnc23)cc4)N6CCc5cccc(c5C6)C(=O)Nc7nc8ccccc8s7;OC(=O)c1nc(sc1CCCOc2ccc(cc2)n3ncc4cncnc34)N5CCc6cccc(C(=O)Nc7sc8ccccc8n7)c6C5;c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O","InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-7-1-2-8-28(27)48-34)25-6-3-5-21-14-15-42(19-26(21)25)35-40-30(33(45)46)29(49-35)9-4-16-47-24-12-10-23(11-13-24)43-31-22(18-38-43)17-36-20-37-31/h1-3,5-8,10-13,17-18,20H,4,9,14-16,19H2,(H,45,46)(H,39,41,44)","","2014-07-07","2014-10-10","2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid","2014-10-15"],["ORK","(2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid","C25 H34 N3 O7 P","CC(C)C[CH](N[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C)C(O)=O;CC(C)CC(C(=O)NC(C)C(=O)O)NP(=O)(C(Cc1ccccc1)NC(=O)OCc2ccccc2)O","InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22-/m0/s1","","2020-04-01","2021-04-09","(2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid","2021-04-14"],["38I","{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)","C20 H30 B Cl2 N2 O5","O=C(O)C(N)(C2CC3N(Cc1ccc(Cl)c(Cl)c1)C(C2)CC3)CCCC[B-](O)(O)O;N[C](CCCC[B-](O)(O)O)(C1C[CH]2CC[CH](C1)N2Cc3ccc(Cl)c(Cl)c3)C(O)=O;[B-](CCCCC(C1CC2CCC(C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O","InChI=1S/C20H30BCl2N2O5/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28,29)30/h3,6,9,14-16,28-30H,1-2,4-5,7-8,10-12,24H2,(H,26,27)/q-1/t14-,15+,16-,20-/m1/s1","","2013-02-12","2013-12-06","{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)","2013-12-11"],["ORL","3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid","C17 H11 F3 N4 O2 S","OC(=O)c1cccc(C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F)c1;c1cc(cc(c1)C(=O)O)C=Nn2c(nnc2S)c3ccc(cc3)C(F)(F)F","InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)14-22-23-16(27)24(14)21-9-10-2-1-3-12(8-10)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+","","2022-09-18","2023-12-22","3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid","2023-12-27"],["ORM","2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide","C11 H14 Cl2 N2 O3 S","C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl;CC(C)N[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl;CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl","InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)","","2019-07-03","2024-09-27","2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide","2019-07-24"],["38J","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose","C18 H32 O16","O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1","beta-MALTOTRIOSE","2014-07-07","2020-07-17","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose","2014-07-16"],["38K","3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid","C22 H19 N5 O6 S","O=C(O)c1cc(ccc1)Nc4c(cnc3cc(c2cnc(OC)nc2OC)ccc34)S(=O)(=O)N;COc1ncc(c(OC)n1)c2ccc3c(Nc4cccc(c4)C(O)=O)c(cnc3c2)[S](N)(=O)=O;COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N","InChI=1S/C22H19N5O6S/c1-32-20-16(10-25-22(27-20)33-2)12-6-7-15-17(9-12)24-11-18(34(23,30)31)19(15)26-14-5-3-4-13(8-14)21(28)29/h3-11H,1-2H3,(H,24,26)(H,28,29)(H2,23,30,31)","","2014-07-07","2014-11-28","3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid","2014-12-03"],["ORN","L-ornithine","C5 H12 N2 O2","O=C(O)C(N)CCCN;NCCC[CH](N)C(O)=O;C(CC(C(=O)O)N)CN","InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","L-ornithine",""],["38L","2-nitrobenzene-1,3-diol","C6 H5 N O4","O=[N+]([O-])c1c(O)cccc1O;Oc1cccc(O)c1[N+]([O-])=O;c1cc(c(c(c1)O)[N+](=O)[O-])O","InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H","","2014-07-07","2014-08-01","2-nitrobenzene-1,3-diol","2014-08-06"],["ORO","OROTIC ACID","C5 H4 N2 O4","O=C(O)C1=CC(=O)NC(=O)N1;OC(=O)C1=CC(=O)NC(=O)N1;C1=C(NC(=O)NC1=O)C(=O)O","InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)","","1999-07-08","2011-06-04","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",""],["ORP","2-DEOXY-5-PHOSPHONO-RIBOSE","C5 H11 O7 P","O=P(OCC1OC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(OC1O)COP(=O)(O)O)O","InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1","","1999-07-08","2011-06-04","2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose",""],["38M","3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one","C29 H35 Cl N4 O2 S","Clc1cccc(c1)N4C(=O)c5ccccc5N=C4SC(C(=O)N2CCCC3(C2)CNCCC3)CCCC;CCCC[CH](SC1=Nc2ccccc2C(=O)N1c3cccc(Cl)c3)C(=O)N4CCC[C]5(CCCNC5)C4;CCCCC(C(=O)N1CCCC2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl","InChI=1S/C29H35ClN4O2S/c1-2-3-13-25(27(36)33-17-8-15-29(20-33)14-7-16-31-19-29)37-28-32-24-12-5-4-11-23(24)26(35)34(28)22-10-6-9-21(30)18-22/h4-6,9-12,18,25,31H,2-3,7-8,13-17,19-20H2,1H3/t25-,29-/m0/s1","","2008-11-19","2011-06-04","3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one",""],["ORQ","N~5~-ACETYL-L-ORNITHINE","C7 H14 N2 O3","O=C(NCCCC(N)C(=O)O)C;CC(=O)NCCC[CH](N)C(O)=O;CC(=O)NCCCC(C(=O)O)N","InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1","","2006-02-27","2024-09-27","N~5~-acetyl-L-ornithine",""],["38N","N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide","C31 H48 N4 O7","O=C(NC(C(=O)NC(C(=O)NC(C(=O)C(C)CO)CC1CCCCC1)Cc2ccc(OC)cc2)C)CN3CCOCC3;COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](CC3CCCCC3)C(=O)[CH](C)CO)cc1;CC(CO)C(=O)C(CC1CCCCC1)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3","InChI=1S/C31H48N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h9-12,21-23,26-27,36H,4-8,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+/m1/s1","","2014-07-08","2014-07-18","N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide","2014-07-23"],["ORR","1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one","C16 H16 Cl N3 O","Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N;Nc1cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3;c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N","InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2","","2023-08-17","2023-11-03","1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one","2023-11-08"],["38O","4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one","C21 H21 F N6 O","Fc1cccc2c1C(N)=C(C(=O)N2)c4nc5cc(N3CCN(C)CC3)ccc5n4;CN1CCN(CC1)c2ccc3[nH]c(nc3c2)C4=C(N)c5c(F)cccc5NC4=O;CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N","InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)","Dovitinib","2014-07-09","2020-06-17","4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one","2014-09-24"],["38P","4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","C22 H26 N6 O2","O=C(NC1CC1)c2cc(c(cc2)C)Nc3ncnn4cc(c(c34)C)C(=O)NCCC;CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC4CC4)c2c1C;CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4","InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)","","2010-05-07","2011-06-04","4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",""],["ORS","dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium","C10 H15 Cl2 Rh","C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl;CC1C(C)C(C)C(C)C1C.Cl[Rh]Cl;CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C","InChI=1S/C10H15.2ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q;;;+2/p-2","","2019-07-03","2020-11-20","dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium","2020-11-25"],["38Q","3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid","C23 H19 N5 O5","O=C(O)c1cc(ccc1)Nc4c(C(=O)N)cnc3cc(c2cnc(OC)nc2OC)ccc34;COc1ncc(c(OC)n1)c2ccc3c(Nc4cccc(c4)C(O)=O)c(cnc3c2)C(N)=O;COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N","InChI=1S/C23H19N5O5/c1-32-21-16(10-26-23(28-21)33-2)12-6-7-15-18(9-12)25-11-17(20(24)29)19(15)27-14-5-3-4-13(8-14)22(30)31/h3-11H,1-2H3,(H2,24,29)(H,25,27)(H,30,31)","","2014-07-08","2014-11-28","3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid","2014-12-03"],["ORT","(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide","C5 H11 N3 O3","NNC(=O)CC[CH](N)C(O)=O;C(CC(=O)NN)C(C(=O)O)N","InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1","","2020-04-01","2024-09-27","(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid","2020-07-01"],["ORU","5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole","C23 H18 Cl F N8 O S","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1ncc(c1)c1cncs1;[O-][n+]1cc(ccc1[CH](CC2CC2)n3cc(cn3)c4scnc4)c5c(F)c(Cl)ccc5n6cnnn6;c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5cc(cn5)c6cncs6","InChI=1S/C23H18ClFN8OS/c24-17-4-6-19(32-12-27-29-30-32)22(23(17)25)15-3-5-18(33(34)11-15)20(7-14-1-2-14)31-10-16(8-28-31)21-9-26-13-35-21/h3-6,8-14,20H,1-2,7H2/t20-/m1/s1","","2022-05-13","2022-07-29","(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-2-{(1R)-2-cyclopropyl-1-[(4P)-4-(1,3-thiazol-5-yl)-1H-pyrazol-1-yl]ethyl}-1-oxo-1lambda~5~-pyridine","2022-08-03"],["38R","[4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile","C20 H21 N7","N#CCc1ccc(cc1)Nc2nccc(n2)Nc3cc(nn3)C4CCCC4;N#CCc1ccc(Nc2nccc(Nc3[nH]nc(c3)C4CCCC4)n2)cc1;c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4","InChI=1S/C20H21N7/c21-11-9-14-5-7-16(8-6-14)23-20-22-12-10-18(25-20)24-19-13-17(26-27-19)15-3-1-2-4-15/h5-8,10,12-13,15H,1-4,9H2,(H3,22,23,24,25,26,27)","","2012-11-30","2014-09-05","[4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile","2013-03-20"],["ORV","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C30 H39 N3 O8","c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C)NC(OC)=O;COC(=O)N[CH](C)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CC(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC","InChI=1S/C30H39N3O8/c1-19(31-29(36)38-2)27(35)33-24(16-21-11-7-4-8-12-21)25(34)17-22(15-20-9-5-3-6-10-20)32-30(37)41-26-18-40-28-23(26)13-14-39-28/h3-12,19,22-26,28,34H,13-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)/t19-,22-,23-,24-,25-,26-,28+/m0/s1","","2019-07-03","2020-06-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2020-07-01"],["38S","1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","C10 H14 N2 O4","O=C1NC(=O)N(C=C1C)C2OC(CC2)CO;CC1=CN([CH]2CC[CH](CO)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCC(O2)CO","InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1","3'-deoxy thymidine","2014-07-08","2020-06-17","1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","2014-07-23"],["ORW","1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea","C17 H27 N5 O2","CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N;CC(C)CC(C(=O)N(C)N(C)C=N)NC(=O)NCc1ccccc1","InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1","","2020-04-01","2024-09-27","1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea","2020-12-16"],["38T","5-methyluridine","C10 H14 N2 O6","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)CO;CC1=CN([CH]2O[CH](CO)[CH](O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1","","2014-07-08","2014-07-18","5-methyluridine","2014-07-23"],["38U","3-methyl-1H-indene-2-carboxylic acid","C11 H10 O2","O=C(O)C2=C(c1ccccc1C2)C;CC1=C(Cc2ccccc12)C(O)=O;CC1=C(Cc2c1cccc2)C(=O)O","InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)","","2014-07-09","2014-07-18","3-methyl-1H-indene-2-carboxylic acid","2014-07-23"],["ORX","N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE","C13 H22 N3 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCN)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCN)C(=O)O)O","InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1","","2003-02-10","2024-09-27","N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine",""],["ORZ","precondylocarpine acetate","C23 H27 N2 O4","COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](=CC2=CC)CCc3c1[nH]c4ccccc34;CC=C1C=[N+]2CCc3c4ccccc4[nH]c3C(C1CC2)(COC(=O)C)C(=O)OC","InChI=1S/C23H27N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,13,19,24H,9-12,14H2,1-3H3/q+1/b16-4-/t19-,23-/m0/s1","methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate","2022-09-19","2022-10-14","methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate","2022-10-19"],["38V","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","C21 H30 N10 O19 P4","NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O)c2N1;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N","InChI=1S/C21H30N10O19P4/c22-15-9-16(25-3-24-15)30(4-26-9)20-13(34)14(8(48-20)2-45-51(36,37)6-52(38,39)50-53(40,41)42)49-54(43,44)46-1-7-11(32)12(33)19(47-7)31-5-27-10-17(31)28-21(23)29-18(10)35/h3-5,7-8,11-14,19-20,32-34H,1-2,6H2,(H,36,37)(H,38,39)(H,43,44)(H2,22,24,25)(H2,40,41,42)(H3,23,28,29,35)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2014-07-09","2014-09-05","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","2014-08-13"],["OS","OSMIUM ION","Os","[Os+3];[Os+3];[Os+3]","InChI=1S/Os/q+3","","1999-07-08","2011-06-04","osmium(3+)",""],["38W","N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine","C21 H22 N6 O","n1nc(oc1c5ccc4ncc(c2nc(ccn2)C3CC3)c4c5)NC(C)(C)C;CC(C)(C)Nc1oc(nn1)c2ccc3[nH]cc(c4nccc(n4)C5CC5)c3c2;CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5","InChI=1S/C21H22N6O/c1-21(2,3)25-20-27-26-19(28-20)13-6-7-17-14(10-13)15(11-23-17)18-22-9-8-16(24-18)12-4-5-12/h6-12,23H,4-5H2,1-3H3,(H,25,27)","","2014-07-09","2015-01-30","N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine","2015-02-04"],["OS0","4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one","C4 H6 N2 O2","O[CH]1NC(=O)NC=C1;C1=CNC(=O)NC1O","InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)","","2023-02-10","2024-01-19","4-oxidanyl-3,4-dihydro-1~{H}-pyrimidin-2-one","2024-01-24"],["38X","N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide","C37 H46 N4 O5","O=C(C(C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C2=C(c1ccccc1C2)C)C)Cc4c3ccccc3nc4)CC5CCCCC5;C[CH](CO)C(=O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)[CH](C)NC(=O)C4=C(C)c5ccccc5C4;CC1=C(Cc2c1cccc2)C(=O)NC(C)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)NC(CC5CCCCC5)C(=O)C(C)CO","InChI=1S/C37H46N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h7-10,13-16,20,22,24-25,32-33,38,42H,4-6,11-12,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44)/t22-,24-,32+,33+/m1/s1","","2014-07-09","2024-09-27","N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide","2014-07-23"],["OS1","Ruthenium octasporine","C24 H16 Cl N6 O3 Ru","Nc1cn2|[Ru]|3(Cl)(|[C-]#[O+])(NCc4ccccn|34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78;c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O","InChI=1S/C17H10N4O2.C6H7N2.CO.ClH.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7;7-5-6-3-1-2-4-8-6;1-2;;/h1-6H,(H4,18,19,20,21,22,23);1-4,7H,5H2;;1H;/q;-1;;;+3/p-2","","2010-12-09","2011-06-04","",""],["38Y","3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE","C20 H25 B Br N6 O9 P","Brc1ccc(OCC)cc1C(OB4OC5C(OC(n2c3ncnc(N)c3nc2)C5O4)COP(=O)(O)O)CN;CCOc1ccc(Br)c(c1)[CH](CN)OB2O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45;B1(OC2C(OC(C2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)OC(CN)c5cc(ccc5Br)OCC","InChI=1S/C20H25BBrN6O9P/c1-2-32-10-3-4-12(22)11(5-10)13(6-23)35-21-36-16-14(7-33-38(29,30)31)34-20(17(16)37-21)28-9-27-15-18(24)25-8-26-19(15)28/h3-5,8-9,13-14,16-17,20H,2,6-7,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/t13-,14-,16-,17-,20-/m1/s1","","2015-02-03","2016-03-04","[(3aS,4R,6R,6aR)-2-[(1S)-2-amino-1-(2-bromo-5-ethoxyphenyl)ethoxy]-6-(6-amino-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphate","2016-03-09"],["38Z","(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide","C33 H33 N9 O2","O=C(N3CCN(c2ccc(c1ncccn1)cc2)CC3)CN7CCC(C(=O)Nc5cc6c(c4ccncc4)nnc6cc5)C7;O=C(CN1CC[CH](C1)C(=O)Nc2ccc3n[nH]c(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7;c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CCC(C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7","InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1","","2014-07-09","2014-07-18","(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide","2014-07-23"],["OS2","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol","C15 H19 N5 O S","OC3CN(Cc2c1ncnc(c1nc2)N)CC3CSCC#C;Nc1ncnc2c(CN3C[CH](O)[CH](CSCC#C)C3)c[nH]c12;C#CCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C15H19N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h1,4,9,11-12,17,21H,3,5-8H2,(H2,16,18,19)/t11-,12+/m1/s1","","2018-07-03","2019-03-15","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol","2019-03-20"],["390","4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide","C24 H20 Cl2 F N5 O2","Clc1cccc(c1)C(NC(=O)c4cc(c2nc(ncc2C)Nc3ccc(F)cc3Cl)cn4)CO;Cc1cnc(Nc2ccc(F)cc2Cl)nc1c3c[nH]c(c3)C(=O)N[CH](CO)c4cccc(Cl)c4;Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F","InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1","","2014-07-09","2014-07-18","4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide","2014-07-23"],["OS3","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol","C17 H23 N5 O S","Nc1c2ncc(c2ncn1)CN3CC(O)C(C3)CSCCCC#C;Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCC#C)C3)c[nH]c12;C#CCCCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C17H23N5OS/c1-2-3-4-5-24-10-13-8-22(9-14(13)23)7-12-6-19-16-15(12)20-11-21-17(16)18/h1,6,11,13-14,19,23H,3-5,7-10H2,(H2,18,20,21)/t13-,14+/m1/s1","","2018-07-03","2019-03-15","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol","2019-03-20"],["391","4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE","C21 H16 N4 O4","O4c5ccc(Oc3nc(Oc2ccc(n1ccnc1)cc2)nc(c3)C)cc5OC4;Cc1cc(Oc2ccc3OCOc3c2)nc(Oc4ccc(cc4)n5ccnc5)n1;Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5","InChI=1S/C21H16N4O4/c1-14-10-20(28-17-6-7-18-19(11-17)27-13-26-18)24-21(23-14)29-16-4-2-15(3-5-16)25-9-8-22-12-25/h2-12H,13H2,1H3","","2007-02-07","2011-06-04","4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine",""],["OS4","OSMIUM 4+ ION","Os","[Os+4];[Os+4];[Os+4]","InChI=1S/Os/q+4","","2005-03-17","2019-12-12","osmium(4+)",""],["OS5","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol","C24 H30 N8 O S","OC3CN(Cc1cnc2c1ncnc2N)CC3CSCCCc4nnn(c4)Cc5ccccc5;Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12;c1ccc(cc1)Cn2cc(nn2)CCCSCC3CN(CC3O)Cc4c[nH]c5c4ncnc5N","InChI=1S/C24H30N8OS/c25-24-23-22(27-16-28-24)18(9-26-23)11-31-12-19(21(33)14-31)15-34-8-4-7-20-13-32(30-29-20)10-17-5-2-1-3-6-17/h1-3,5-6,9,13,16,19,21,26,33H,4,7-8,10-12,14-15H2,(H2,25,27,28)/t19-,21+/m1/s1","","2018-07-03","2019-03-15","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol","2019-03-20"],["392","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea","C17 H19 Cl2 N3 O2","Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2O;Oc1ccccc1NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2;c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O","InChI=1S/C17H19Cl2N3O2/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17(24)22-15-4-1-2-5-16(15)23/h1-2,4-5,8-10,20,23H,3,6-7,11H2,(H2,21,22,24)","","2011-10-10","2012-09-28","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea","2012-09-28"],["393","(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID","C16 H13 Cl N2 O6","O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2cccc([N+]([O-])=O)c2;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl","InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)","IDD393","2006-10-05","2020-06-17","{5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid",""],["OS6","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol","C21 H32 N8 O S","OC1C(CN(C1)Cc3c2ncnc(N)c2nc3)CSCCCc4cn(nn4)CCCC;CCCCn1cc(CCCSC[CH]2CN(C[CH]2O)Cc3c[nH]c4c(N)ncnc34)nn1;CCCCn1cc(nn1)CCCSCC2CN(CC2O)Cc3c[nH]c4c3ncnc4N","InChI=1S/C21H32N8OS/c1-2-3-6-29-11-17(26-27-29)5-4-7-31-13-16-10-28(12-18(16)30)9-15-8-23-20-19(15)24-14-25-21(20)22/h8,11,14,16,18,23,30H,2-7,9-10,12-13H2,1H3,(H2,22,24,25)/t16-,18+/m1/s1","","2018-07-03","2019-03-15","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol","2019-03-20"],["OS7","7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine","C23 H22 N4 O","c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3ccccn3)CN)c4;Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4ccccn4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N","InChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27)","","2019-07-03","2020-04-24","7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine","2020-04-29"],["394","R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID","C23 H26 F N O4","O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)[CH](O)C(=O)Nc3ccc(cc3F)C(O)=O;CC1(CCC(c2c1ccc(c2)C(C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C","InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1","BMS270394","2000-05-08","2020-06-17","3-fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid",""],["395","S-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID","C23 H26 F N O4","O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)[CH](O)C(=O)Nc3ccc(cc3F)C(O)=O;CC1(CCC(c2c1ccc(c2)C(C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C","InChI=1/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1/f/h25,28H","BMS270395","2000-05-10","2008-10-14","3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid",""],["OS8","(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide","C24 H30 N4 O3","COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1;CC1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC","InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1","","2020-04-01","2020-04-10","(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide","2020-04-15"],["396","4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide","C28 H25 Cl N4 O4","Clc1ccccc1c2cc6c(c3c2C(=O)NC3=O)c5c(cc(C(=O)NCCN4CCCC4)c(O)c5)n6C;Cn1c2cc(c(O)cc2c3c1cc(c4ccccc4Cl)c5C(=O)NC(=O)c35)C(=O)NCCN6CCCC6;Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl","InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37)","","2007-12-04","2011-06-04","4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazole-8-carboxamide",""],["OS9","8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one","C29 H33 N3 O3","COc1ccccc1Oc2cccc(CN3CCC4(CC3)N(CCc5ccccc5)CNC4=O)c2;COc1ccccc1Oc2cccc(c2)CN3CCC4(CC3)C(=O)NCN4CCc5ccccc5","InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33)","LMD-009","2023-08-24","2024-02-02","8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one","2024-02-07"],["397","2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL","C14 H10 O3","Oc3ccc(c2oc1ccc(O)cc1c2)cc3;Oc1ccc(cc1)c2oc3ccc(O)cc3c2;c1cc(ccc1c2cc3cc(ccc3o2)O)O","InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H","","2004-08-10","2011-06-04","2-(4-hydroxyphenyl)-1-benzofuran-5-ol",""],["OSA","7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid","C20 H15 N3 O8 S2","O=S(=O)(O)c4cc3cc(/N=N/c2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O)c4;Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(cc4c3)[S](O)(=O)=O)c(cc2c1)[S](O)(=O)=O;c1cc2c(cc1N)cc(c(c2O)N=Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C20H15N3O8S2/c21-12-1-3-16-10(5-12)8-18(33(29,30)31)19(20(16)25)23-22-13-2-4-15-11(6-13)7-14(9-17(15)24)32(26,27)28/h1-9,24-25H,21H2,(H,26,27,28)(H,29,30,31)/b23-22+","","2010-06-02","2011-06-04","7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid",""],["398","N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide","C40 H41 Cl I N5 O5 S","Ic2cc1cc(ccc1cc2)S(=O)(=O)NC(=O)c3cc(c(cc3)n4nc(c(Cl)c4C)C(=O)N(CCCC)CCCC)C(=O)N6Cc5ccccc5CC6;CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)N[S](=O)(=O)c5ccc6ccc(I)cc6c5;CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl","InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)","","2012-04-12","2014-09-05","N,N-dibutyl-4-chloro-1-[2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-4-{[(7-iodonaphthalen-2-yl)sulfonyl]carbamoyl}phenyl]-5-methyl-1H-pyrazole-3-carboxamide",""],["OSB","2-SUCCINYLBENZOATE","C11 H10 O5","O=C(O)c1ccccc1C(=O)CCC(=O)O;OC(=O)CCC(=O)c1ccccc1C(O)=O;c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O","InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)","O-SUCCINYLBENZOATE","2000-08-11","2020-06-17","2-(3-carboxypropanoyl)benzoic acid",""],["OSC","(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE","C34 H44 N6 O5","O=C(NC(C(=O)N1C3CC(O)CCC3CC1C(=O)NCCC2=CCN(C(=[N@H])N)C2)Cc4ccccc4)C(O)Cc5ccccc5;NC(=N)N1CC=C(CCNC(=O)[CH]2C[CH]3CC[CH](O)C[CH]3N2C(=O)[CH](Cc4ccccc4)NC(=O)[CH](O)Cc5ccccc5)C1;c1ccc(cc1)CC(C(=O)N2C3CC(CCC3CC2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)C(Cc5ccccc5)O","InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25-,26+,27+,28-,29-,30+/m0/s1","OSCILLARIN; (2R,3AS,6R,7AS)-6-HYDROXY-1-{(2R)-2-[(2R)-2-HYDROXY-3-PHENYL-PROPIONYLAMINO]-3-PHENYL-PROPIONYL}-OCTAHYDORO-INDOLE-2-CARBOXYLIC ACID [2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)-ETHYL]-AMIDE","2004-01-14","2020-05-27","(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-phenylpropanoyl]amino}-3-phenylpropanoyl]octahydro-1H-indole-2-carboxamide (non-preferred name)",""],["39A","6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM","C7 H10 N5","n2c[n+](c1c(ncn1C)c2N)C;Cn1cnc2c(N)nc[n+](C)c12;Cn1cnc2c1[n+](cnc2N)C","InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1","3,9-DIMETHYLADENINE","2003-07-07","2020-06-17","6-amino-3,9-dimethyl-9H-purin-3-ium",""],["39B","(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE","C8 H9 B9 N4","n1c(c(c(nc1N)N)CC29%12B8B%157%10B4[H]B53C2%11B36%13B45%15B67%14B89%10B%11%12%13%14)C;Cc1nc(N)nc(N)c1C[C+]234[B-]56[B]78[B+]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58%15[B]36%16[B]4%11%12[B]%13%14%15%16;B123B45B167B289B31B823B966B744B622C45[C+]321Cc1c(nc(nc1N)N)C","InChI=1S/C8H9B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h2H2,1H3,(H4,18,19,20,21)/q+1","","2005-09-30","2023-09-25","",""],["OSD","7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine","C20 H23 N3 O","c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN;CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N","InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)","","2019-07-03","2020-04-24","7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine","2020-04-29"],["39C","(2S,4R)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one","C12 H17 N O2","O=C(C(N)Cc1ccccc1)C(C)CO;C[CH](CO)C(=O)[CH](N)Cc1ccccc1;CC(CO)C(=O)C(Cc1ccccc1)N","InChI=1S/C12H17NO2/c1-9(8-14)12(15)11(13)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8,13H2,1H3/t9-,11+/m1/s1","","2014-07-09","2014-07-18","(2S,4R)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one","2014-07-23"],["OSE","O-SULFO-L-SERINE","C3 H7 N O6 S","O=S(=O)(O)OCC(C(=O)O)N;N[CH](CO[S](O)(=O)=O)C(O)=O;C(C(C(=O)O)N)OS(=O)(=O)O","InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1","","2005-02-24","2024-09-27","O-sulfo-L-serine",""],["OSF","octyl sulfate","C8 H17 O4 S","[O-]S(=O)(=O)OCCCCCCCC;CCCCCCCCO[S]([O-])(=O)=O;CCCCCCCCOS(=O)(=O)[O-]","InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)/p-1","","2009-01-23","2011-06-04","octyl sulfate",""],["39D","4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide","C26 H31 N5 O2","O=C(NC(c1nc(cn1)c2ccc(C(=O)N)cc2)Cc3ccccc3)C4CCC(CN)CC4;NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)c3[nH]cc(n3)c4ccc(cc4)C(N)=O;c1ccc(cc1)CC(c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN","InChI=1S/C26H31N5O2/c27-15-18-6-8-21(9-7-18)26(33)31-22(14-17-4-2-1-3-5-17)25-29-16-23(30-25)19-10-12-20(13-11-19)24(28)32/h1-5,10-13,16,18,21-22H,6-9,14-15,27H2,(H2,28,32)(H,29,30)(H,31,33)/t18-,21-,22-/m0/s1","","2014-07-11","2014-11-28","4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide","2014-12-03"],["OSG","7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine","C20 H23 N3 O","c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C;CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2;CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C","InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)","","2019-07-03","2020-04-24","7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine","2020-04-29"],["39E","(R)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE","C8 H20 B9 N4","n1c(c(c(nc1N)N)CC29%12B8B%157%10B4[H]B53C2%11B36%13B45%15B67%14B89%10B%11%12%13%14)C;Cc1nc(N)nc(N)c1C[C+]234[BH-]5[BH]267[BH]389[CH]4%10[BH2]%11[BH]%12%13%14[BH2-][BH+]56%12[BH]78%13[BH]9%10%11%14;[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([BH]54)Cc1c(nc(nc1N)N)C","InChI=1S/C8H20B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-11-13(7)12(7,8)14(8)9(8)15(14)10(22-11)16(11,13,15)17(12,13,14)15/h7,9-17H,2H2,1H3,(H4,18,19,20,21)","","2005-09-30","2023-09-25","",""],["39F","trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide","C26 H30 Cl N7 O","c3(nc(C(Cc1ccccc1)NC(=O)C2CCC(CC2)CN)nc3Cl)c4ccc5c(c4)nnc5N;NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)c3[nH]c(Cl)c(n3)c4ccc5c(N)[nH]nc5c4;c1ccc(cc1)CC(c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN","InChI=1S/C26H30ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34)/t16-,17-,21-/m0/s1","","2014-07-11","2017-11-16","trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide","2014-12-03"],["OSI","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H17 Cl N2 O2","Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2ccccc21;C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1","","2023-08-17","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["39G","N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide","C22 H26 N4 O3 S","O=S(=O)(N(C)C)c1cc(c(cc1)C)NC(=O)c2c(n(nc2)c3ccccc3)CCC;CCCc1n(ncc1C(=O)Nc2cc(ccc2C)[S](=O)(=O)N(C)C)c3ccccc3;CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C","InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)","","2014-07-11","2015-07-17","N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide","2015-07-22"],["OSJ","7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine","C19 H21 N3 O","NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N;CCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2;CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C","InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)","","2019-07-03","2020-04-24","7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine","2020-04-29"],["39H","2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide","C23 H21 N3 O3","O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5;CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O;CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5","InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)","D67","2014-07-10","2021-03-01","2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide","2014-07-23"],["OSL","(2R)-2-hydroxy-3-(sulfooxy)propanoic acid","C3 H6 O7 S","O=S(=O)(OCC(O)C(=O)O)O;O[CH](CO[S](O)(=O)=O)C(O)=O;C(C(C(=O)O)O)OS(=O)(=O)O","InChI=1S/C3H6O7S/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1","","2010-11-10","2024-09-27","(2R)-2-hydroxy-3-(sulfooxy)propanoic acid",""],["OSM","1-(OXIDOSULFANYL)METHANAMINE","C H5 N O S","O=SCN;NC[SH]=O;C(N)S=O","InChI=1S/CH5NOS/c2-1-4-3/h4H,1-2H2","","2006-03-31","2011-06-04","1-(oxidosulfanyl)methanamine",""],["39I","~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine","C19 H18 N6 S","C1CC1c2cc([nH]n2)Nc3nc(NCc4ccccc4)nc5ccsc35;c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5","InChI=1S/C19H18N6S/c1-2-4-12(5-3-1)11-20-19-21-14-8-9-26-17(14)18(23-19)22-16-10-15(24-25-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,20,21,22,23,24,25)","","2021-06-24","2022-02-25","~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine","2022-03-02"],["39J","(2S)-2-chlorobutanoic acid","C4 H7 Cl O2","ClC(C(=O)O)CC;CC[CH](Cl)C(O)=O;CCC(C(=O)O)Cl","InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1","","2012-10-12","2014-09-05","(2S)-2-chlorobutanoic acid","2013-05-01"],["OSN","(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one","C25 H31 N3 O2","COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1;CC1CC(=O)Nc2cccc(c2N1)C=CCCCN3CCCc4c3cc(cc4)OC","InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1","","2020-04-01","2020-04-10","(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one","2020-04-15"],["39K","N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide","C23 H27 N O4 S3","O=S(=O)(N(Cc1sc(cc1)c2ccc(cc2)S(=O)(=O)C)CC(C)C)Cc3ccccc3;CC(C)CN(Cc1sc(cc1)c2ccc(cc2)[S](C)(=O)=O)[S](=O)(=O)Cc3ccccc3;CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3","InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3","","2014-07-10","2014-09-12","N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide","2014-09-17"],["OSO","stemmadenine acetate","C23 H29 N2 O4","COC(=O)[C]1(COC(C)=O)[CH]2CC[NH+](CCc3c1[nH]c4ccccc34)CC2=CC;CC=C1C[NH+]2CCc3c4ccccc4[nH]c3C(C1CC2)(COC(=O)C)C(=O)OC","InChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1","methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate","2022-09-19","2022-10-14","methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate","2022-10-19"],["39L","[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)","C9 H11 F N2 O6 P2","O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12;O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O;c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18)","","2014-07-10","2015-06-19","[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)","2015-06-24"],["OSP","SULTHIAME","C10 H14 N2 O4 S2","O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2;N[S](=O)(=O)c1ccc(cc1)N2CCCC[S]2(=O)=O;c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N","InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)","4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE","2007-06-21","2020-06-17","4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide",""],["39N","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","C18 H32 O16","C1(C(C(O)C(CO)OC1OC2C(C(OC(C2O)CO)OC3C(C(OC(C3O)CO)O)O)O)O)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](O)O[CH](CO)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1","","2014-07-11","2015-03-25","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","2015-03-18"],["OSQ","(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide","C22 H24 F2 N4 O2","C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3CCCc4ccccc34;CC1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F","InChI=1S/C22H24F2N4O2/c1-14-20(29)27-17-9-4-8-16(19(17)26-14)21(30)25-12-22(23,24)13-28-11-5-7-15-6-2-3-10-18(15)28/h2-4,6,8-10,14,26H,5,7,11-13H2,1H3,(H,25,30)(H,27,29)/t14-/m1/s1","","2020-04-01","2020-04-10","(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide","2020-04-15"],["39O","5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one","C10 H13 N3 O","O=C2N(c1cc(c(cc1N2C)N)C)C;CN1C(=O)N(C)c2cc(N)c(C)cc12;Cc1cc2c(cc1N)N(C(=O)N2C)C","InChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3","","2014-07-11","2014-10-24","5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one","2014-10-29"],["OSR","(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C31 H35 Br N4 O4","CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3)Br)Cc4ccc(c5c4cccc5)OC","InChI=1S/C31H35BrN4O4/c1-4-20(2)29-30(38)34(18-22-11-14-26(40-3)25-8-6-5-7-24(22)25)19-27-35(16-15-28(37)36(27)29)31(39)33-17-21-9-12-23(32)13-10-21/h5-14,20,27,29H,4,15-19H2,1-3H3,(H,33,39)/t20-,27+,29-/m0/s1","","2023-02-10","2023-07-14","(6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2023-07-19"],["39P","4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","C22 H23 N7 O3","O=C(c3ccc(c(Nc2ncnn1c2c(c(C(=O)NCCC)c1)C)c3)C)Nc4nocc4;CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc4ccon4)c2c1C;CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4","InChI=1S/C22H23N7O3/c1-4-8-23-22(31)16-11-29-19(14(16)3)20(24-12-25-29)26-17-10-15(6-5-13(17)2)21(30)27-18-7-9-32-28-18/h5-7,9-12H,4,8H2,1-3H3,(H,23,31)(H,24,25,26)(H,27,28,30)","","2010-05-07","2011-06-04","5-methyl-4-{[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]amino}-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",""],["OSS","6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID","C11 H23 N O3 S3","O=C(O)CCCCC(SSCCO)CCSCN;NCSCC[CH](CCCCC(O)=O)SSCCO;C(CCC(=O)O)CC(CCSCN)SSCCO","InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1","","1999-07-08","2024-09-27","(6S)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid",""],["39Q","N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide","C31 H42 N4 O7","O=C(NC(C(=O)NC(C(=O)NC(C(=O)C(C)CO)Cc1ccccc1)Cc2ccc(OC)cc2)C)CN3CCOCC3;COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)C(=O)[CH](C)CO)cc1;CC(CO)C(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3","InChI=1S/C31H42N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,36H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22-,26+,27+/m1/s1","","2014-07-10","2014-07-18","N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide","2014-07-23"],["OST","METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE","C19 H18 O3","O=C(OC)C(=COC)c2ccccc2C=Cc1ccccc1;COC=C(C(=O)OC)c1ccccc1C=Cc2ccccc2;COC=C(c1ccccc1C=Cc2ccccc2)C(=O)OC","InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+","","2005-08-04","2011-06-04","methyl (2E)-3-methoxy-2-{2-[(E)-2-phenylethenyl]phenyl}prop-2-enoate",""],["39R","3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline","C14 H12 N4","n2nc(c1cc(ccc1)N)nc2c3ccccc3;Nc1cccc(c1)c2[nH]c(nn2)c3ccccc3;c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N","InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18)","","2014-07-11","2014-10-24","3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline","2014-10-29"],["OSU","N-OCTANOYLSUCROSE","C20 H36 O12","O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO)CCCCCCC;CCCCCCCC(=O)OC[CH]1O[C](CO)(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1","N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE; SUCROSE MONOCAPROYLATE","2003-07-14","2020-07-17","6-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside",""],["39S","N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid","C29 H37 N9 O12","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O;NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N","InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1","","2014-07-11","2015-01-09","N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid","2015-01-14"],["OSV","RUTHENIUM OCTASPORINE 4","C27 H31 F N4 O3 Ru S4","CC(C)Oc1ccc2N3C4=C5N(C=C(F)C=C5[CH]6C(=O)NC(=O)C6=C4c2c1)[Ru]378(NC#[SH])[SH]9CC[SH]7CC[SH]8CC9;CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O","InChI=1S/C20H16FN3O3.C6H12S3.CH2NS.Ru/c1-8(2)27-10-3-4-13-11(6-10)14-16-15(19(25)24-20(16)26)12-5-9(21)7-22-17(12)18(14)23-13;1-2-8-5-6-9-4-3-7-1;2-1-3;/h3-8,15H,1-2H3,(H3,22,23,24,25,26);1-6H2;2-3H;/q;;-1;/p+1/t15-;;;/m0.../s1","","2011-02-23","2011-06-04","",""],["39U","2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one","C9 H13 N3 O S","O=C1NCC(Cc2nc(sc12)N)(C)C;CC1(C)CNC(=O)c2sc(N)nc2C1;CC1(Cc2c(sc(n2)N)C(=O)NC1)C","InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13)","","2014-07-11","2014-10-24","2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one","2014-10-29"],["OSW","Metala-Carborane di-propyl-sulfonamide","C10 H16 B18 Co N2 O4 S2","N[S](=O)(=O)CCC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CCC[S](N)(=O)=O;B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N","InChI=1S/2C5H8B9NO2S.Co/c2*15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12;/h2*1-3H2,(H2,15,16,17);/q;;+6","","2020-04-02","2020-09-04","","2020-09-09"],["39V","N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide","C37 H40 N4 O5","O=C(C(C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C2=C(c1ccccc1C2)C)C)Cc4c3ccccc3nc4)Cc5ccccc5;C[CH](CO)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)[CH](C)NC(=O)C4=C(C)c5ccccc5C4;CC1=C(Cc2c1cccc2)C(=O)NC(C)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)NC(Cc5ccccc5)C(=O)C(C)CO","InChI=1S/C37H40N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h4-16,20,22,24,32-33,38,42H,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44)/t22-,24-,32+,33+/m1/s1","","2014-07-13","2024-09-27","N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide","2014-07-23"],["OSX","5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole","C24 H20 Cl F N8 O S","Cc1ncsc1c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])c1c(F)c(Cl)ccc1n1cnnn1;Cc1ncsc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;Cc1c(scn1)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6","InChI=1S/C24H20ClFN8OS/c1-14-24(36-13-27-14)17-9-29-32(10-17)21(8-15-2-3-15)19-6-4-16(11-34(19)35)22-20(33-12-28-30-31-33)7-5-18(25)23(22)26/h4-7,9-13,15,21H,2-3,8H2,1H3/t21-/m1/s1","","2022-05-13","2022-07-29","(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-2-{(1R)-2-cyclopropyl-1-[(4P)-4-(4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl]ethyl}-1-oxo-1lambda~5~-pyridine","2022-08-03"],["39W","(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide","C37 H45 F N6 O7 S2","O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7;COc1ccc2c(O[CH]3C[CH]4N(C3)C(=O)N[C]5(C[CH]5C=CCCCCN(C)C4=O)C(=O)N[S](=O)(=O)C6(C)CC6)cc(nc2c1F)c7scc(n7)C(C)C;CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)OC4CC5C(=O)N(CCCCC=CC6CC6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C","InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1","IDX320","2014-07-14","2021-03-01","(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide","2015-07-29"],["OSY","7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine","C17 H17 N3","NCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2;Cc1cc(N)nc2cc(ccc12)c3ccc(CN)cc3;Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N","InChI=1S/C17H17N3/c1-11-8-17(19)20-16-9-14(6-7-15(11)16)13-4-2-12(10-18)3-5-13/h2-9H,10,18H2,1H3,(H2,19,20)","","2019-07-03","2020-04-24","7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine","2020-04-29"],["39X","3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine","C21 H16 F N3 O3","O=C(O)C(NC(=O)c2cc1ccccc1cc2)Cc4nc3ccc(F)cc3n4;OC(=O)[CH](Cc1[nH]c2cc(F)ccc2n1)NC(=O)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)C(=O)NC(Cc3[nH]c4cc(ccc4n3)F)C(=O)O","InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1","","2014-07-14","2014-09-05","3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine","2014-08-20"],["OSZ","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C32 H41 N7 O3","Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N4CCNCC4)c5ccccc5;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC4CCCCC4)C(=O)N5CCNCC5)N","InChI=1S/C32H41N7O3/c33-29-27(22-36-39(29)26-9-5-2-6-10-26)31(41)35-21-24-11-14-25(15-12-24)30(40)37-28(16-13-23-7-3-1-4-8-23)32(42)38-19-17-34-18-20-38/h2,5-6,9-12,14-15,22-23,28,34H,1,3-4,7-8,13,16-21,33H2,(H,35,41)(H,37,40)/t28-/m0/s1","","2020-04-03","2020-07-10","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-07-15"],["39Y","(2E,5S)-5-methylhept-2-enoic acid","C8 H14 O2","O=C(O)/C=C/CC(CC)C;CC[CH](C)CC=CC(O)=O;CCC(C)CC=CC(=O)O","InChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H,9,10)/b6-4+/t7-/m0/s1","","2014-07-14","2024-09-27","(2E,5S)-5-methylhept-2-enoic acid","2014-10-08"],["OT0","2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","C22 H31 Cl2 N3 O3","C[CH]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl;CC1CC(CC(O1)C)(C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl","InChI=1S/C22H31Cl2N3O3/c1-15-11-22(12-16(2)30-15,26-19-5-3-18(24)4-6-19)21(29)27-9-7-17(8-10-27)14-25-20(28)13-23/h3-6,15-17,26H,7-14H2,1-2H3,(H,25,28)/t15-,16+,22+","RU78299","2022-09-19","2024-09-27","2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["39Z","5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE","C14 H12 N2 O2","O=C2N=C1C=CC(O)=CC1=C2C(c3cccn3)C;C[CH](c1[nH]ccc1)C2=C3C=C(O)C=CC3=NC2=O;CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O","InChI=1S/C14H12N2O2/c1-8(11-3-2-6-15-11)13-10-7-9(17)4-5-12(10)16-14(13)18/h2-8,15,17H,1H3/t8-/m0/s1","","2007-04-04","2011-06-04","5-hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-one",""],["OT1","2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole","C19 H25 Cl Ir N2","CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3ccccc23;CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C","InChI=1S/C10H15.C9H10N2.ClH.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-10-7-11(2)9-6-4-3-5-8(9)10;;/h1-5H3;3-6H,1-2H3;1H;/q;;;+1/p-1","","2019-07-03","2020-11-20","2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole","2020-11-25"],["3A0","(2S,4S)-4-methylpiperidine-2-carboxylic acid","C7 H13 N O2","O=C(O)C1NCCC(C)C1;C[CH]1CCN[CH](C1)C(O)=O;CC1CCNC(C1)C(=O)O","InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1","","2014-07-14","2024-09-27","(2S,4S)-4-methylpiperidine-2-carboxylic acid","2014-10-08"],["OT2","7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid","C20 H16 N2 O10 S3","O[S](=O)(=O)c1cc2C=CC(=O)[CH](NNc3ccc(c4ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O;c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O","InChI=1S/C20H16N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,20-22H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/t20-/m0/s1","","2020-04-03","2021-04-09","7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid","2021-04-14"],["OT4","7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine","C18 H19 N3","NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C;Cc1cc(N)nc2cc(ccc12)c3cccc(CCN)c3;Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N","InChI=1S/C18H19N3/c1-12-9-18(20)21-17-11-15(5-6-16(12)17)14-4-2-3-13(10-14)7-8-19/h2-6,9-11H,7-8,19H2,1H3,(H2,20,21)","","2019-07-03","2020-04-24","7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine","2020-04-29"],["3A1","N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine","C29 H41 N4 O8 P","O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO;C[CH](C[P](O)(=O)[CH](Cc1ccccc1)NC(=O)Cc2ccccc2)C(=O)N[CH](CCCCN)C(=O)N[CH](CO)C(O)=O;CC(CP(=O)(C(Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O","InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1","","2010-02-05","2011-06-04","N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine",""],["3A2","1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine","C29 H44 N5 O8 P","O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3;CCCC[CH](NC(=O)[CH]1CCCN1C(=O)CC[P](O)(=O)[CH](Cc2ccccc2)NC(=O)[CH]3CCCN3C(=O)CN)C(O)=O;CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CCP(=O)(C(Cc2ccccc2)NC(=O)C3CCCN3C(=O)CN)O","InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1","","2010-02-05","2011-06-04","1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine",""],["OT5","1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone","C25 H28 Cl2 N4 O2","Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O;CN(C)C[CH]1CC[CH](CC1)Nc2c(cnc3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4)C(C)=O;CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl","InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-","OTSSP167","2014-02-17","2020-06-17","1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone","2014-07-08"],["3A3","2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID","C17 H13 N O7","O=C(O)COc3ccc2c1ccc(OCC(=O)O)cc1/C(=NO)c2c3;ON=C1c2cc(OCC(O)=O)ccc2c3ccc(OCC(O)=O)cc13;c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O","InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)","","2006-03-09","2011-06-04","2,2'-{[9-(hydroxyimino)-9H-fluorene-2,7-diyl]bis(oxy)}diacetic acid",""],["OT6","2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide","C19 H21 Cl N4 O","O=C(Nc1cnccc1C)Cc1cc(NCC(C)(C)C#N)cc(Cl)c1;Cc1ccncc1NC(=O)Cc2cc(Cl)cc(NCC(C)(C)C#N)c2;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C#N","InChI=1S/C19H21ClN4O/c1-13-4-5-22-10-17(13)24-18(25)8-14-6-15(20)9-16(7-14)23-12-19(2,3)11-21/h4-7,9-10,23H,8,12H2,1-3H3,(H,24,25)","","2023-08-17","2023-11-03","2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["3A4","(2S)-2-({[(3S,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","C29 H34 N4 O2","O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5;O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC[CH]3CN2C(=O)c4ccc(cc4)c5ccccc5;c1ccc(cc1)c2ccc(cc2)C(=O)N3CC4CCCCC4CC3CNC(Cc5cnc[nH]5)C=O","InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27-,28-/m0/s1","","2014-07-15","2015-02-06","(2S)-2-({[(3S,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","2015-02-11"],["OT7","5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine","C24 H21 Cl F N9 O","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccnn1C;Cn1nccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;Cn1c(ccn1)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6","InChI=1S/C24H21ClFN9O/c1-32-19(8-9-28-32)17-11-29-33(12-17)22(10-15-2-3-15)20-6-4-16(13-35(20)36)23-21(34-14-27-30-31-34)7-5-18(25)24(23)26/h4-9,11-15,22H,2-3,10H2,1H3/t22-/m1/s1","","2022-05-13","2022-07-29","(3M)-1'-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-2-methyl-1'H,2H-3,4'-bipyrazole","2022-08-03"],["3A5","(2Z,4S)-3-AZA-5-CARBOXYL-2-METHYL-4(METHYLCARBOXY)PENT-2-ENOYL","C8 H11 N O6","O=C(OC)C(/N=C(/C(=O)O)C)CC(=O)O;COC(=O)[CH](CC(O)=O)N=C(C)C(O)=O;CC(=NC(CC(=O)O)C(=O)OC)C(=O)O","InChI=1S/C8H11NO6/c1-4(7(12)13)9-5(3-6(10)11)8(14)15-2/h5H,3H2,1-2H3,(H,10,11)(H,12,13)/b9-4+/t5-/m0/s1","","2012-03-28","2024-09-27","(3S)-3-[(E)-(1-carboxyethylidene)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name)","2012-10-26"],["OT8","~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","C21 H16 F3 N5 O","FC(F)(F)c1cc(NCc2cn(nn2)c3ccc(Oc4ccccc4)cc3)ccn1;c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F","InChI=1S/C21H16F3N5O/c22-21(23,24)20-12-15(10-11-25-20)26-13-16-14-29(28-27-16)17-6-8-19(9-7-17)30-18-4-2-1-3-5-18/h1-12,14H,13H2,(H,25,26)","","2020-04-03","2021-04-09","~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","2021-04-14"],["3A6","3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE","C23 H19 F N4 O3 S","O=S(=O)(NC(=O)c1c(N)c(nc2c1cc(F)cc2)c3ccc(cc3)c4ccnc(c4)C)C;Cc1cc(ccn1)c2ccc(cc2)c3nc4ccc(F)cc4c(c3N)C(=O)N[S](C)(=O)=O;Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N","InChI=1S/C23H19FN4O3S/c1-13-11-16(9-10-26-13)14-3-5-15(6-4-14)22-21(25)20(23(29)28-32(2,30)31)18-12-17(24)7-8-19(18)27-22/h3-12H,25H2,1-2H3,(H,28,29)","","2012-02-16","2014-09-05","3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-N-(methylsulfonyl)quinoline-4-carboxamide","2013-03-06"],["OT9","(5R)-4-hydroxy-3-[3-(3-methoxyphenyl)propyl]-5-(2-phenylethyl)furan-2(5H)-one","C22 H24 O4","COc1cccc(c1)CCCC=1C(=O)OC(CCc2ccccc2)C=1O;COc1cccc(CCCC2=C(O)[CH](CCc3ccccc3)OC2=O)c1;COc1cccc(c1)CCCC2=C(C(OC2=O)CCc3ccccc3)O","InChI=1S/C22H24O4/c1-25-18-11-5-9-17(15-18)10-6-12-19-21(23)20(26-22(19)24)14-13-16-7-3-2-4-8-16/h2-5,7-9,11,15,20,23H,6,10,12-14H2,1H3/t20-/m1/s1","","2023-05-05","2023-06-09","(5R)-4-hydroxy-3-[3-(3-methoxyphenyl)propyl]-5-(2-phenylethyl)furan-2(5H)-one","2023-06-14"],["3ON","(3R)-3-HYDROXY-8'-APOCAROTENOL","C30 H42 O2","OC1CC(=C(C=CC(=CC=CC(=C/C=C/C=C(C=CC=C(/C)CO)C)C)C)C(C)(C)C1)C;CC(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CO)C)C","InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1","(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-HYDROXY-3,7,12,16-TETRAMETHYLHEPTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL","2005-01-26","2021-03-13","(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol",""],["OTA","2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID","C10 H10 N2 O5 S","O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2;OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O;C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O","InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)","","2000-04-18","2011-06-04","2-[(carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid",""],["3OO","3-bromo-N-[3-(tert-butylamino)propyl]benzamide","C14 H21 Br N2 O","O=C(c1cc(Br)ccc1)NCCCNC(C)(C)C;CC(C)(C)NCCCNC(=O)c1cccc(Br)c1;CC(C)(C)NCCCNC(=O)c1cccc(c1)Br","InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)","","2014-09-30","2014-10-10","3-bromo-N-[3-(tert-butylamino)propyl]benzamide","2014-10-15"],["OTB","TERTIARY-BUTOXYFORMIC ACID","C5 H10 O3","O=C(O)OC(C)(C)C;CC(C)(C)OC(O)=O;CC(C)(C)OC(=O)O","InChI=1/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)/f/h6H","","1999-07-08","2009-01-07","tert-butyl hydrogen carbonate",""],["3OP","3,3'-oxydipyridine","C10 H8 N2 O","O(c1cnccc1)c2cccnc2;O(c1cccnc1)c2cccnc2;c1cc(cnc1)Oc2cccnc2","InChI=1S/C10H8N2O/c1-3-9(7-11-5-1)13-10-4-2-6-12-8-10/h1-8H","","2013-11-14","2013-11-22","3,3'-oxydipyridine","2013-11-27"],["OTC","OXYTETRACYCLINE","C22 H24 N2 O9","O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(O)(c4cccc(O)c34)C)C(=O)N;CN(C)[CH]1[CH]2[CH](O)[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)cccc4[C]3(C)O;CC1(c2cccc(c2C(=O)C3=C(C4(C(C(C31)O)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O","InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1","","2010-08-30","2011-09-02","(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["3OQ","3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile","C18 H15 F4 N O3 S","O=S(=O)(c1ccc(cc1)C(O)(C)C(F)(F)F)c2ccc(C#N)cc2CCF;C[C](O)(c1ccc(cc1)[S](=O)(=O)c2ccc(cc2CCF)C#N)C(F)(F)F;CC(c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O","InChI=1S/C18H15F4NO3S/c1-17(24,18(20,21)22)14-3-5-15(6-4-14)27(25,26)16-7-2-12(11-23)10-13(16)8-9-19/h2-7,10,24H,8-9H2,1H3/t17-/m0/s1","","2010-10-27","2012-11-29","3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile",""],["OTD","2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID","C6 H6 N2 O5","O=C(O)C1C=C(C(=O)O)NC(=O)N1;OC(=O)[CH]1NC(=O)NC(=C1)C(O)=O;C1=C(NC(=O)NC1C(=O)O)C(=O)O","InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1","HDDP","2007-03-01","2020-06-17","(4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid",""],["OTE","2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL","C16 H34 O5","O(CCCCCCCC)CCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCO","InChI=1/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3","","1999-07-08","2008-10-14","3,6,9,12-tetraoxaicosan-1-ol",""],["3OR","3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide","C20 H19 F3 I N3 O5","Ic1ccc(c(F)c1)Nc2c(C(=O)NOCCO)cc(c(F)c2F)CN3OCCCC3=O;OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO","InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)","","2010-09-14","2011-06-04","3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide",""],["OTF","(1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide","C20 H15 F2 N3 O2","ONC(=O)[C]1(F)[CH]([CH]1c2ccc(cc2)c3ncc(F)cn3)c4ccccc4;c1ccc(cc1)C2C(C2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F","InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1","","2015-05-22","2016-02-05","(1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide","2016-02-10"],["3OS","2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide","C20 H18 F3 N3 O5","O=C(NOCCO)c1c(c(F)c(F)c(C=NOCCO)c1)Nc2ccc(C#C)cc2F;OCCONC(=O)c1cc(C=NOCCO)c(F)c(F)c1Nc2ccc(cc2F)C#C;C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO","InChI=1S/C20H18F3N3O5/c1-2-12-3-4-16(15(21)9-12)25-19-14(20(29)26-31-8-6-28)10-13(17(22)18(19)23)11-24-30-7-5-27/h1,3-4,9-11,25,27-28H,5-8H2,(H,26,29)/b24-11+","","2010-09-14","2011-07-22","2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{(E)-[(2-hydroxyethoxy)imino]methyl}benzamide",""],["3OT","2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one","C29 H31 N3 O3","O=C1C=CC=C(C=C1OC)c2cc3nc(n(c3cc2)CCN4CCOCC4)CCc5ccccc5;COC1=CC(=CC=CC1=O)c2ccc3n(CCN4CCOCC4)c(CCc5ccccc5)nc3c2;COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5","InChI=1S/C29H31N3O3/c1-34-28-21-23(8-5-9-27(28)33)24-11-12-26-25(20-24)30-29(13-10-22-6-3-2-4-7-22)32(26)15-14-31-16-18-35-19-17-31/h2-9,11-12,20-21H,10,13-19H2,1H3","","2014-09-30","2015-10-23","2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one","2015-10-28"],["OTG","2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose","C14 H19 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2C;Cc1ccccc1C(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O;Cc1ccccc1C(=O)NC2C(C(C(OC2O)CO)O)O","InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1","ORTHO-TOLUOYLGLUCOSAMINE; N-[(2-methylphenyl)carbonyl]-alpha-D-glucosamine;\n2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucose; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-D-glucose;\n2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-glucose","1999-07-08","2020-07-17","2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose",""],["3OU","6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one","C34 H36 N6 O5","O=C(c1ccc(nc1)NC5=CC(c4cccc(N3C(=O)c2ccc(N(C)C)cc2CC3)c4CO)=CN(C5=O)C)N6CCOCC6;CN(C)c1ccc2C(=O)N(CCc2c1)c3cccc(c3CO)C4=CN(C)C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6;CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C","InChI=1S/C34H36N6O5/c1-37(2)25-8-9-27-22(17-25)11-12-40(33(27)43)30-6-4-5-26(28(30)21-41)24-18-29(34(44)38(3)20-24)36-31-10-7-23(19-35-31)32(42)39-13-15-45-16-14-39/h4-10,17-20,41H,11-16,21H2,1-3H3,(H,35,36)","","2014-09-30","2014-12-19","6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one","2014-12-24"],["OTH","N,O-dimethyl-L-threonine","C6 H13 N O3","O=C(O)C(NC)C(OC)C;CN[CH]([CH](C)OC)C(O)=O;CC(C(C(=O)O)NC)OC","InChI=1S/C6H13NO3/c1-4(10-3)5(7-2)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t4-,5+/m1/s1","","2010-05-20","2024-09-27","N,O-dimethyl-L-threonine",""],["OTI","3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid","C29 H35 F N6 O5 S","CCOC(=O)C1=C(CN2CCN3[CH](C2)CN(CC(C)(C)C(O)=O)C3=O)NC(=N[CH]1c4cccc(F)c4C)c5sccn5;CCOC(=O)C1=C(NC(=NC1c2cccc(c2C)F)c3nccs3)CN4CCN5C(C4)CN(C5=O)CC(C)(C)C(=O)O","InChI=1S/C29H35FN6O5S/c1-5-41-26(37)22-21(15-34-10-11-36-18(13-34)14-35(28(36)40)16-29(3,4)27(38)39)32-24(25-31-9-12-42-25)33-23(22)19-7-6-8-20(30)17(19)2/h6-9,12,18,23H,5,10-11,13-16H2,1-4H3,(H,32,33)(H,38,39)/t18-,23?/m0/s1","Linvencorvir","2023-02-10","2023-03-17","3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid","2023-03-22"],["3OV","6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one","C34 H33 F N6 O5","O=C(c1ccc(nc1)NC5=CC(c4cccc(N3C=Cc2cc(N(C)C)cc(F)c2C3=O)c4CO)=CN(C5=O)C)N6CCOCC6;CN(C)c1cc(F)c2C(=O)N(C=Cc2c1)c3cccc(c3CO)C4=CN(C)C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6;CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C","InChI=1S/C34H33FN6O5/c1-38(2)24-15-21-9-10-41(34(45)31(21)27(35)17-24)29-6-4-5-25(26(29)20-42)23-16-28(33(44)39(3)19-23)37-30-8-7-22(18-36-30)32(43)40-11-13-46-14-12-40/h4-10,15-19,42H,11-14,20H2,1-3H3,(H,36,37)","","2014-09-30","2014-12-19","6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one","2014-12-24"],["3OW","(2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide","C37 H48 N4 O7 S","O=C(NCC(C)C)C(C(C)C)CC(O)C4NC(=O)c1cc(cc(c1)C(=O)NC(c2ccccc2)c3cccc(c3)COC4)N(C)S(=O)(=O)C;CC(C)CNC(=O)[CH](C[CH](O)[CH]1COCc2cccc(c2)[CH](NC(=O)c3cc(cc(c3)C(=O)N1)N(C)[S](C)(=O)=O)c4ccccc4)C(C)C;CC(C)CNC(=O)C(CC(C1COCc2cccc(c2)C(NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C","InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34-/m0/s1","","2010-09-21","2011-06-04","(2S,4S)-4-hydroxy-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)-2-(propan-2-yl)butanamide",""],["OTJ","Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate","C22 H22 Cl2 N8 O3","O=C(OC)Nc1ccc(cc1)c2nc(nc2Cl)CNC(=O)CCc3cc(Cl)ccc3N4C=NNN4;COC(=O)Nc1ccc(cc1)c2nc(CNC(=O)CCc3cc(Cl)ccc3N4NNN=C4)[nH]c2Cl;COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl","InChI=1S/C22H22Cl2N8O3/c1-35-22(34)27-16-6-2-13(3-7-16)20-21(24)29-18(28-20)11-25-19(33)9-4-14-10-15(23)5-8-17(14)32-12-26-30-31-32/h2-3,5-8,10,12,30-31H,4,9,11H2,1H3,(H,25,33)(H,27,34)(H,28,29)","","2014-02-26","2015-02-06","methyl (4-{5-chloro-2-[({3-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)phenyl]propanoyl}amino)methyl]-1H-imidazol-4-yl}phenyl)carbamate","2015-02-11"],["3OX","(2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide","C37 H48 N4 O7 S","O=C(NCC(C)C)C(C(C)C)CC(O)C4NC(=O)c1cc(cc(c1)C(=O)NC(c2ccccc2)c3cccc(c3)COC4)N(C)S(=O)(=O)C;CC(C)CNC(=O)[CH](C[CH](O)[CH]1COCc2cccc(c2)[CH](NC(=O)c3cc(cc(c3)C(=O)N1)N(C)[S](C)(=O)=O)c4ccccc4)C(C)C;CC(C)CNC(=O)C(CC(C1COCc2cccc(c2)C(NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C","InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34+/m0/s1","","2010-09-21","2011-06-04","(2S,4S)-4-hydroxy-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)-2-(propan-2-yl)butanamide",""],["OTK","(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate","C26 H38 O10","O=C3OC2C1C(C)C(OC(=O)C(=C/C)C)CC1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C3(O)C)C;CCCC(=O)O[CH]1C[C](C)(OC(C)=O)[CH]2C[CH](OC(=O)C(C)=CC)[CH](C)[CH]2[CH]3OC(=O)[C](C)(O)[C]13O;CCCC(=O)OC1CC(C2CC(C(C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)C(=CC)C)(C)OC(=O)C","InChI=1S/C26H38O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,14,16-18,20-21,31-32H,8,10-12H2,1-7H3/b13-9-/t14-,16-,17+,18-,20+,21-,24-,25+,26+/m0/s1","","2010-06-08","2011-06-04","(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate",""],["3OY","N-propanoyl-D-alanyl-(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide","C29 H34 Br N5 O7 S","O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2C=C)CC(Oc3nccc4c3cc(Br)cc4)C5)C(NC(=O)CC)C;CCC(=O)N[CH](C)C(=O)N1C[CH](C[CH]1C(=O)N[C]2(C[CH]2C=C)C(=O)N[S](=O)(=O)C3CC3)Oc4nccc5ccc(Br)cc45;CCC(=O)NC(C)C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br","InChI=1S/C29H34BrN5O7S/c1-4-18-14-29(18,28(39)34-43(40,41)21-8-9-21)33-25(37)23-13-20(15-35(23)27(38)16(3)32-24(36)5-2)42-26-22-12-19(30)7-6-17(22)10-11-31-26/h4,6-7,10-12,16,18,20-21,23H,1,5,8-9,13-15H2,2-3H3,(H,32,36)(H,33,37)(H,34,39)/t16-,18-,20-,23+,29-/m1/s1","","2010-09-24","2011-06-04","N-propanoyl-D-alanyl-(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide",""],["OTL","5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine","C24 H21 Cl F N9 O","Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1cncn1C;Cn1cncc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;Cn1cncc1c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6","InChI=1S/C24H21ClFN9O/c1-32-13-27-10-22(32)17-9-29-33(11-17)21(8-15-2-3-15)19-6-4-16(12-35(19)36)23-20(34-14-28-30-31-34)7-5-18(25)24(23)26/h4-7,9-15,21H,2-3,8H2,1H3/t21-/m1/s1","","2022-05-13","2022-07-29","(5M)-5-{[1(6)M]-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl}-2-{(1R)-2-cyclopropyl-1-[(4M)-4-(1-methyl-1H-imidazol-5-yl)-1H-pyrazol-1-yl]ethyl}-1-oxo-1lambda~5~-pyridine","2022-08-03"],["OTM","(2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide","C26 H21 Cl N10 O2","Clc2cc(c(n1nnnc1)cc2)C=CC(=O)NC(C(=O)Nc4ccc(c3nnnn3)cc4)Cc5ccccc5;Clc1ccc(n2cnnn2)c(C=CC(=O)N[CH](Cc3ccccc3)C(=O)Nc4ccc(cc4)c5[nH]nnn5)c1;c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C26H21ClN10O2/c27-20-9-12-23(37-16-28-33-36-37)19(15-20)8-13-24(38)30-22(14-17-4-2-1-3-5-17)26(39)29-21-10-6-18(7-11-21)25-31-34-35-32-25/h1-13,15-16,22H,14H2,(H,29,39)(H,30,38)(H,31,32,34,35)/b13-8+/t22-/m0/s1","","2014-02-26","2015-02-06","Nalpha-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-N-[4-(1H-tetrazol-5-yl)phenyl]-L-phenylalaninamide","2015-02-11"],["3OZ","[4-({(1S)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid","C25 H22 Cl2 N2 O4","Clc1ccc(c(Cl)c1)NC(=O)C3c2ccccc2CN3Cc4ccc(OCC(=O)O)c(c4)C;Cc1cc(CN2Cc3ccccc3[CH]2C(=O)Nc4ccc(Cl)cc4Cl)ccc1OCC(O)=O;Cc1cc(ccc1OCC(=O)O)CN2Cc3ccccc3C2C(=O)Nc4ccc(cc4Cl)Cl","InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-8-7-18(26)11-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)/t24-/m0/s1","","2010-09-27","2011-06-04","[4-({(1S)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid",""],["3P0","2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile","C36 H38 F N7 O3","N#CC(c5cc(F)c6C(=O)N(c1cccc(c1CO)C=2C=C(C(=O)N(C=2)C)Nc4ncc(N3CCN(C)CC3)cc4)CCc6c5)(C)C;CN1CCN(CC1)c2ccc(NC3=CC(=CN(C)C3=O)c4cccc(N5CCc6cc(cc(F)c6C5=O)C(C)(C)C#N)c4CO)nc2;CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C","InChI=1S/C36H38FN7O3/c1-36(2,22-38)25-16-23-10-11-44(35(47)33(23)29(37)18-25)31-7-5-6-27(28(31)21-45)24-17-30(34(46)42(4)20-24)40-32-9-8-26(19-39-32)43-14-12-41(3)13-15-43/h5-9,16-20,45H,10-15,21H2,1-4H3,(H,39,40)","","2014-09-30","2014-12-19","2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile","2014-12-24"],["OTN","2-nitrophenyl 1-thio-beta-D-galactopyranoside","C12 H15 N O7 S","[O-][N+](=O)c2c(SC1OC(C(O)C(O)C1O)CO)cccc2;OC[CH]1O[CH](Sc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO7S/c14-5-7-9(15)10(16)11(17)12(20-7)21-8-4-2-1-3-6(8)13(18)19/h1-4,7,9-12,14-17H,5H2/t7-,9+,10+,11-,12+/m1/s1","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol; 2-nitrophenyl\n1-thio-beta-D-galactoside; 2-nitrophenyl 1-thio-D-galactoside; 2-nitrophenyl 1-thio-galactoside","2014-02-19","2020-07-17","2-nitrophenyl 1-thio-beta-D-galactopyranoside","2014-03-05"],["OTO","1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile","C11 H8 N4 O","O=C(C1CC1)n2nc(C#N)c3cnccc23;c1cncc2c1n(nc2C#N)C(=O)C3CC3","InChI=1S/C11H8N4O/c12-5-9-8-6-13-4-3-10(8)15(14-9)11(16)7-1-2-7/h3-4,6-7H,1-2H2","","2022-09-20","2024-09-27","1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile","2023-09-20"],["3P1","8-[(quinolin-2-ylmethyl)amino]adenosine","C20 H21 N7 O4","Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(NCc4ccc5ccccc5n4)nc12;c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3C5C(C(C(O5)CO)O)O)N","InChI=1S/C20H21N7O4/c21-17-14-18(24-9-23-17)27(19-16(30)15(29)13(8-28)31-19)20(26-14)22-7-11-6-5-10-3-1-2-4-12(10)25-11/h1-6,9,13,15-16,19,28-30H,7-8H2,(H,22,26)(H2,21,23,24)/t13-,15-,16-,19-/m1/s1","","2010-01-25","2011-06-04","(2R,3R,4S,5R)-2-[6-azanyl-8-(quinolin-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",""],["3P2","N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine","C21 H23 N5 O","n1ccn2c(NC(C)(C)C)c(nc2c1)c4ccc(c3c(onc3C)C)cc4;Cc1onc(C)c1c2ccc(cc2)c3nc4cnccn4c3NC(C)(C)C;Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C","InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3","","2014-09-30","2014-10-24","N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine","2014-10-29"],["OTP","(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE","C40 H68 O7 P2","O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C","InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+","OCTAPRENYL PYROPHOSPHATE","2004-12-06","2021-03-01","(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate",""],["3P3","N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide","C21 H18 N2 O4","O=C(NC(C(=O)NO)C(O)C)c2ccc(C#CC#Cc1ccccc1)cc2;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O","InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1","","2010-10-14","2011-06-04","N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide",""],["OTQ","(2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one","C14 H13 N3 O4 S","[O-][N+](=O)c1oc(cc1)[CH]2NC(=O)c3c(N2)sc4CCCCc34;c1cc(oc1C2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[O-]","InChI=1S/C14H14N3O4S/c18-13-11-7-3-1-2-4-9(7)22-14(11)16-12(15-13)8-5-6-10(21-8)17(19)20/h5-6,12,16,19H,1-4H2,(H,15,18)/t12-/m0/s1","","2020-04-04","2022-05-02","(2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one","2021-04-14"],["3P4","5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE","C23 H29 N6 O3","O=C2c3n[n+](c(c3N=C(c1cc(C(O)=C)cnc1OCCC=C)N2)CC)C4CN(CC)C4;CCN1CC(C1)[n+]2[nH]c3C(=O)NC(=Nc3c2CC)c4cc(cnc4OCCC=C)C(O)=C;CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O","InChI=1S/C23H28N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h5,10-11,16H,1,4,6-9,12-13H2,2-3H3,(H2,25,26,30,31)/p+1","5-(5-ACETYL-2-BUTOXY-3-PYRIDINYL)-3-ETHYL-2-(1-ETHYL-3-AZETIDINYL)-2,6-DIHYDRO-7H-PYRAZOLO (4,3-D) PYRIMIDIN-7-ONE","2006-03-15","2021-03-13","5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyethenyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-2-ium",""],["OTR","4-(2R-AMINO-1-HYDROXYETHYL)PHENOL","C8 H11 N O2","OC(c1ccc(O)cc1)CN;NC[CH](O)c1ccc(O)cc1;c1cc(ccc1C(CN)O)O","InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1","R-OCTOPAMINE","2003-11-12","2021-03-01","4-[(1R)-2-amino-1-hydroxyethyl]phenol",""],["3P5","(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","C22 H26 Br N O4 S","O=S3(=O)CC(C(O)C(NCc1cccc(c1)C2CC2)C3)Cc4ccc(O)c(Br)c4;O[CH]1[CH](Cc2ccc(O)c(Br)c2)C[S](=O)(=O)C[CH]1NCc3cccc(c3)C4CC4;c1cc(cc(c1)C2CC2)CNC3CS(=O)(=O)CC(C3O)Cc4ccc(c(c4)Br)O","InChI=1S/C22H26BrNO4S/c23-19-10-14(4-7-21(19)25)8-18-12-29(27,28)13-20(22(18)26)24-11-15-2-1-3-17(9-15)16-5-6-16/h1-4,7,9-10,16,18,20,22,24-26H,5-6,8,11-13H2/t18-,20+,22+/m1/s1","","2010-11-09","2011-06-04","(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide",""],["OTS","4-(2S-AMINO-1-HYDROXYETHYL)PHENOL","C8 H11 N O2","OC(c1ccc(O)cc1)CN;NC[CH](O)c1ccc(O)cc1;c1cc(ccc1C(CN)O)O","InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1","S-OCTOPAMINE","2003-11-12","2021-03-01","4-[(1S)-2-amino-1-hydroxyethyl]phenol",""],["3P6","(4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide","C25 H27 F2 N5 O3 S","O=S6(=O)C(C(c1ccccc1)n5ncc(NC(=O)c2nnc4c2CC3C(F)(F)C3(C)C4)c5)CCCC6;C[C]12Cc3[nH]nc(C(=O)Nc4cnn(c4)[CH]([CH]5CCCC[S]5(=O)=O)c6ccccc6)c3C[CH]1C2(F)F;CC12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)C(c5ccccc5)C6CCCCS6(=O)=O)CC1C2(F)F","InChI=1S/C25H27F2N5O3S/c1-24-12-18-17(11-20(24)25(24,26)27)21(31-30-18)23(33)29-16-13-28-32(14-16)22(15-7-3-2-4-8-15)19-9-5-6-10-36(19,34)35/h2-4,7-8,13-14,19-20,22H,5-6,9-12H2,1H3,(H,29,33)(H,30,31)/t19-,20+,22-,24-/m1/s1","","2014-10-01","2015-04-24","(4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide","2015-04-29"],["OTT","(2E,4E,6E)-octa-2,4,6-trienoic acid","C8 H10 O2","O=C(O)C=CC=CC=CC;CC=CC=CC=CC(O)=O;CC=CC=CC=CC(=O)O","InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+","2,4,6-OCTATRIENOIC ACID","2009-12-08","2024-09-27","(2E,4E,6E)-octa-2,4,6-trienoic acid",""],["3P7","(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3\n-oxazine-4-carboxylic acid","C18 H18 N2 O9","O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O;CO[C](NC(=O)[CH](C(O)=O)c1ccc(O)cc1)(C=O)[CH]2OCC(=C)C(=N2)C(O)=O;COC(C=O)(C1N=C(C(=C)CO1)C(=O)O)NC(=O)C(c2ccc(cc2)O)C(=O)O","InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17-,18+/m1/s1","MOXALACTAM DERIVATIVE (open form)","2014-10-01","2024-09-27","(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid","2014-10-15"],["OTU","3-O-alpha-D-glucopyranosyl-D-fructose","C12 H22 O11","O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO;C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1","3-O-alpha-D-glucosyl-D-fructose; 3-O-D-glucosyl-D-fructose; 3-O-glucosyl-D-fructose","2011-11-01","2020-07-17","3-O-alpha-D-glucopyranosyl-D-fructose",""],["3P8","methylammonium ion","C H6 N","[NH3+]C;C[NH3+];C[NH3+]","InChI=1S/CH5N/c1-2/h2H2,1H3/p+1","methanaminium","2014-10-02","2020-06-17","methanaminium","2015-07-01"],["OTV","2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide","C18 H17 Cl F3 N3 O","O=C(Nc1cnccc1C)Cc1cc(NC2CC2C(F)(F)F)cc(Cl)c1;Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[CH]3C[CH]3C(F)(F)F)c2;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3CC3C(F)(F)F","InChI=1S/C18H17ClF3N3O/c1-10-2-3-23-9-16(10)25-17(26)6-11-4-12(19)7-13(5-11)24-15-8-14(15)18(20,21)22/h2-5,7,9,14-15,24H,6,8H2,1H3,(H,25,26)/t14-,15+/m1/s1","","2023-08-17","2023-11-03","2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["3P9","(2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol","C9 H20 O4","O(C(CO)C)CC(OCC(O)C)C;C[CH](O)CO[CH](C)CO[CH](C)CO;CC(CO)OCC(C)OCC(C)O","InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1","Polypropyleneglycol","2014-10-01","2020-06-17","(2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol","2015-07-07"],["OTW","4-methylquinoline-2,6-diamine","C10 H11 N3","n1c(cc(c2cc(ccc12)N)C)N;Cc1cc(N)nc2ccc(N)cc12;Cc1cc(nc2c1cc(cc2)N)N","InChI=1S/C10H11N3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,11H2,1H3,(H2,12,13)","","2014-02-26","2015-02-06","4-methylquinoline-2,6-diamine","2015-02-11"],["3PA","3-CYCLOPENTYL-PROPIONIC ACID","C8 H14 O2","O=C(O)CCC1CCCC1;OC(=O)CCC1CCCC1;C1CCC(C1)CCC(=O)O","InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)","","2000-08-08","2024-09-27","3-cyclopentylpropanoic acid",""],["OTX","2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine","C23 H18 Cl2 F3 N9 O2","Clc1cn(nn1)c1ccc(Cl)c(F)c1c1c[n+]([O-])c(cc1)C(CCOC(F)F)n1cc(cn1)c1cnnn1C;Cn1nncc1c2cnn(c2)[CH](CCOC(F)F)c3ccc(c[n+]3[O-])c4c(F)c(Cl)ccc4n5cc(Cl)nn5;Cn1c(cnn1)c2cnn(c2)C(CCOC(F)F)c3ccc(c[n+]3[O-])c4c(ccc(c4F)Cl)n5cc(nn5)Cl","InChI=1S/C23H18Cl2F3N9O2/c1-34-19(9-29-32-34)14-8-30-35(10-14)16(6-7-39-23(27)28)17-4-2-13(11-37(17)38)21-18(5-3-15(24)22(21)26)36-12-20(25)31-33-36/h2-5,8-12,16,23H,6-7H2,1H3/t16-/m1/s1","","2022-05-13","2022-07-29","(5M)-5-[(6M)-3-chloro-6-(4-chloro-1H-1,2,3-triazol-1-yl)-2-fluorophenyl]-2-{(1R)-3-(difluoromethoxy)-1-[(4M)-4-(1-methyl-1H-1,2,3-triazol-5-yl)-1H-pyrazol-1-yl]propyl}-1-oxo-1lambda~5~-pyridine","2022-08-03"],["3PB","(3R)-3-(phosphonooxy)butanoic acid","C4 H9 O6 P","O=P(O)(O)OC(CC(=O)O)C;C[CH](CC(O)=O)O[P](O)(O)=O;CC(CC(=O)O)OP(=O)(O)O","InChI=1S/C4H9O6P/c1-3(2-4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1","","2008-12-11","2011-06-04","(3R)-3-(phosphonooxy)butanoic acid",""],["OTY","2-hydroxy-L-tyrosine","C9 H11 N O4","O=C(O)C(N)Cc1ccc(O)cc1O;N[CH](Cc1ccc(O)cc1O)C(O)=O;c1cc(c(cc1O)O)CC(C(=O)O)N","InChI=1S/C9H11NO4/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7,11-12H,3,10H2,(H,13,14)/t7-/m0/s1","","2006-11-21","2024-09-27","2-hydroxy-L-tyrosine",""],["3PC","(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE","C21 H42 N O7 P","O=P([O-])(OCC[N+](C)(C)C)CCC(OC(=O)CCCCC)COC(=O)CCCCC;CCCCCC(=O)OC[CH](CC[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC;CCCCCC(=O)OCC(CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC","InChI=1S/C21H42NO7P/c1-6-8-10-12-20(23)27-18-19(29-21(24)13-11-9-7-2)14-17-30(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m0/s1","","2003-05-02","2012-01-05","2-(trimethylammonio)ethyl [(3S)-3,4-bis(hexanoyloxy)butyl]phosphonate",""],["OTZ","2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid","C8 H7 N3 O3 S","NCc1occ(n1)c2scc(n2)C(O)=O;c1c(nc(o1)CN)c2nc(cs2)C(=O)O","InChI=1S/C8H7N3O3S/c9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13/h2-3H,1,9H2,(H,12,13)","","2018-06-04","2024-09-27","2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid","2019-01-30"],["3PD","2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE","C10 H14 N5 O7 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O[P](O)(O)=O)[CH](CO)O3;c1nc2c(n1C3CC(C(O3)CO)OP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE","2006-04-14","2020-06-17","2'-deoxy-3'-guanylic acid",""],["OU0","2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one","C10 H13 N O3","CC(C)C1=CC(=O)ON1C(=O)C2CC2;CC(C)C1=CC(=O)ON1C(=O)C2CC2","InChI=1S/C10H13NO3/c1-6(2)8-5-9(12)14-11(8)10(13)7-3-4-7/h5-7H,3-4H2,1-2H3","","2022-09-20","2024-09-27","2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one","2023-09-20"],["OU1","7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine","C21 H23 N3 O","c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OCC4CC4)CN;Cc1cc(N)nc2cc(ccc12)c3ccc(OCC4CC4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N","InChI=1S/C21H23N3O/c1-13-8-21(23)24-19-10-16(4-6-18(13)19)15-5-7-20(17(9-15)11-22)25-12-14-2-3-14/h4-10,14H,2-3,11-12,22H2,1H3,(H2,23,24)","","2019-07-03","2020-04-24","7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine","2020-04-29"],["3PE","1,2-Distearoyl-sn-glycerophosphoethanolamine","C41 H82 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1","3-SN-PHOSPHATIDYLETHANOLAMINE; 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","2003-07-09","2021-05-26","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate",""],["OU2","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C30 H38 N6 O3","CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2;CCNC(=O)C(CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4","InChI=1S/C30H38N6O3/c1-2-32-30(39)26(18-15-21-9-5-3-6-10-21)35-28(37)23-16-13-22(14-17-23)19-33-29(38)25-20-34-36(27(25)31)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20-21,26H,2-3,5-6,9-10,15,18-19,31H2,1H3,(H,32,39)(H,33,38)(H,35,37)/t26-/m0/s1","","2020-04-05","2020-04-10","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-04-15"],["3PF","3-methyl-3,4-dihydroquinazolin-2(1H)-one","C9 H10 N2 O","O=C2Nc1c(cccc1)CN2C;CN1Cc2ccccc2NC1=O;CN1Cc2ccccc2NC1=O","InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)","","2010-10-01","2011-06-04","3-methyl-3,4-dihydroquinazolin-2(1H)-one",""],["3PG","3-PHOSPHOGLYCERIC ACID","C3 H7 O7 P","O=P(O)(O)OCC(O)C(=O)O;O[CH](CO[P](O)(O)=O)C(O)=O;C(C(C(=O)O)O)OP(=O)(O)O","InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid",""],["OU3","3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one","C19 H19 F N2 O4","CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3;Cc1cc(ccc1F)N2C(=Nc3cc(c(c(c3C2=O)O)O)O)CC(C)C","InChI=1S/C19H19FN2O4/c1-9(2)6-15-21-13-8-14(23)17(24)18(25)16(13)19(26)22(15)11-4-5-12(20)10(3)7-11/h4-5,7-9,23-25H,6H2,1-3H3","","2023-02-10","2023-11-24","3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one","2023-11-29"],["3PH","1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE","C39 H77 O8 P","O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1","PHOSPHATIDIC ACID","2003-07-09","2020-06-17","(2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate",""],["OU4","7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine","C21 H20 N4 O2","c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4;Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cocn4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N","InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)","","2019-07-03","2020-04-24","7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine","2020-04-29"],["3PI","(1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE","C17 H35 O19 P3","O=P(OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)OCC(OC(=O)CCC)COC(O)CCC)C1O)(O)O;CCC[CH](O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC;CCCC(O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC","InChI=1S/C17H35O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-17-13(21)15(34-37(23,24)25)12(20)16(14(17)22)35-38(26,27)28/h9-10,12-18,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,10-,12-,13-,14-,15-,16+,17-/m1/s1","","2005-06-15","2011-06-04","(1R)-2-{[(1R)-1-hydroxybutyl]oxy}-1-({[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}methyl)ethyl butanoate",""],["OU5","(5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione","C20 H24 F2 N4 O3","C[CH]1CN(CCN1c2cc(F)cc(F)c2)C(=O)CC[C]3(NC(=O)NC3=O)C4CC4;CC1CN(CCN1c2cc(cc(c2)F)F)C(=O)CCC3(C(=O)NC(=O)N3)C4CC4","InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1","","2020-04-05","2021-04-09","(5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione","2021-04-14"],["OU6","N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide","C24 H25 N5 O5 S","Cc1cc(c2[NH]c(C#N)cc2c1)S(=O)(=O)N(C)CC(=O)Nc1cc2OCCN(C3COC3)c2cc1;CN(CC(=O)Nc1ccc2N(CCOc2c1)C3COC3)[S](=O)(=O)c4cc(C)cc5cc([nH]c45)C#N;Cc1cc2cc([nH]c2c(c1)S(=O)(=O)N(C)CC(=O)Nc3ccc4c(c3)OCCN4C5COC5)C#N","InChI=1S/C24H25N5O5S/c1-15-7-16-9-18(11-25)27-24(16)22(8-15)35(31,32)28(2)12-23(30)26-17-3-4-20-21(10-17)34-6-5-29(20)19-13-33-14-19/h3-4,7-10,19,27H,5-6,12-14H2,1-2H3,(H,26,30)","","2022-05-16","2022-05-20","N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide","2022-05-25"],["3PJ","N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide","C28 H33 F3 N2 O3","FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C2CC2)C4CCC(c3ccccc3)(CC4)CCC(=O)N)C;C[C](O)(c1ccc(cc1)C(=O)N(C2CC2)[CH]3CC[C](CC3)(CCC(N)=O)c4ccccc4)C(F)(F)F;CC(c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O","InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1","N-((1r,4S)-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide","2010-10-29","2021-03-13","N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide",""],["OU7","7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine","C21 H20 N4 O S","c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C;Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4scnc4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N","InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)","","2019-07-03","2020-04-24","7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine","2020-04-29"],["3PK","(2S)-1-(pentanoyloxy)propan-2-yl hexanoate","C14 H26 O4","O=C(OC(C)COC(=O)CCCC)CCCCC;CCCCCC(=O)O[CH](C)COC(=O)CCCC;CCCCCC(=O)OC(C)COC(=O)CCCC","InChI=1S/C14H26O4/c1-4-6-8-10-14(16)18-12(3)11-17-13(15)9-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1","","2010-11-08","2024-09-27","(2S)-1-(pentanoyloxy)propan-2-yl hexanoate","2013-10-16"],["3PL","3-PHENYLPROPANAL","C9 H10 O","O=CCCc1ccccc1;O=CCCc1ccccc1;c1ccc(cc1)CCC=O","InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2","","2005-01-14","2024-09-27","3-phenylpropanal",""],["OU9","[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate","C23 H46 N O7 P","CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN;CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN","InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1","","2022-09-21","2023-07-07","[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate","2023-07-12"],["OUA","7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine","C16 H16 N4","Cc3c2ccc(c1cc(CN)cnc1)cc2nc(c3)N;Cc1cc(N)nc2cc(ccc12)c3cncc(CN)c3;Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N","InChI=1S/C16H16N4/c1-10-4-16(18)20-15-6-12(2-3-14(10)15)13-5-11(7-17)8-19-9-13/h2-6,8-9H,7,17H2,1H3,(H2,18,20)","","2019-07-03","2020-04-24","7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine","2020-04-29"],["3PM","O-tert-butyl-D-serine","C7 H15 N O3","O=C(O)C(N)COC(C)(C)C;CC(C)(C)OC[CH](N)C(O)=O;CC(C)(C)OCC(C(=O)O)N","InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1","","2010-11-18","2012-01-13","O-tert-butyl-D-serine",""],["3PO","TRIPHOSPHATE","H5 O10 P3","O=P(OP(=O)(O)OP(=O)(O)O)(O)O;O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)","","1999-07-08","2011-06-04","triphosphoric acid",""],["OUB","(S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione","C9 H9 N3 O5","N[CH](CN1C(=O)NC(=O)c2cocc12)C(O)=O;c1c2c(co1)N(C(=O)NC2=O)CC(C(=O)O)N","InChI=1S/C9H9N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h2-3,5H,1,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1","","2020-04-06","2020-05-29","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid","2020-06-03"],["3PP","3-PHOSPHONOPROPANOIC ACID","C3 H7 O5 P","O=C(O)CCP(=O)(O)O;OC(=O)CC[P](O)(O)=O;C(CP(=O)(O)O)C(=O)O","InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)","2-CARBOXYETHYLPHOSPHONIC ACID","2000-12-14","2020-06-17","3-phosphonopropanoic acid",""],["OUC","(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","C20 H22 N2 O4","Cc1cc(O)cc(C)c1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O;Cc1cc(cc(c1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O)C)O","InChI=1S/C20H22N2O4/c1-11-7-15(24)8-12(2)16(11)10-18-20(26)21-17(19(25)22-18)9-13-3-5-14(23)6-4-13/h3-8,17-18,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t17-,18-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["3PQ","2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide","C13 H14 Cl N3 O4","O=C(NCC1(C(=O)NC(=O)N1)C)COc2ccc(Cl)cc2;C[C]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O;CC1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl","InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1","","2014-10-02","2014-12-05","2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide","2014-12-10"],["OUD","(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid","C5 H10 N2 O4","N[CH](CNC(O)=O)CC(O)=O;C(C(CNC(=O)O)N)C(=O)O","InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1","","2017-02-10","2024-09-27","(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid","2017-04-12"],["3PS","4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide","C16 H15 N5 O2","O=C(Nc1cnc(OC)cc1)c3c2nc(nc(N)c2ccc3)C;COc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1;Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N","InChI=1S/C16H15N5O2/c1-9-19-14-11(15(17)20-9)4-3-5-12(14)16(22)21-10-6-7-13(23-2)18-8-10/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)","","2010-12-07","2011-06-04","4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide",""],["OUE","(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid","C6 H12 N2 O4","N[CH](CCC(O)=O)CNC(O)=O;C(CC(=O)O)C(CNC(=O)O)N","InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1","","2017-02-10","2024-09-27","(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid","2017-04-12"],["3PT","(2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate","C17 H33 O19 P3","O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCC;CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC","InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13-,14+,15+,16+,17+/m1/s1","","2012-07-10","2012-08-17","(2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate",""],["OUF","N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea","C22 H27 N3 O4","O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1;CC(C)OCCCN(Cc1occc1)C(=O)NC2=CN(C)C(=O)c3ccccc23;CC(C)OCCCN(Cc1ccco1)C(=O)NC2=CN(C(=O)c3c2cccc3)C","InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27)","","2023-08-18","2023-11-03","N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea","2023-11-08"],["3PU","5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide","C16 H11 Cl N4 O4 S","Clc1cc2cc(oc2cc1)C(=O)NCC3(NC(=O)NC3=O)c4nccs4;Clc1ccc2oc(cc2c1)C(=O)NC[C]3(NC(=O)NC3=O)c4sccn4;c1cc2c(cc1Cl)cc(o2)C(=O)NCC3(C(=O)NC(=O)N3)c4nccs4","InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1","","2014-10-02","2014-12-05","5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide","2014-12-10"],["OUG","7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine","C17 H17 N3","c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3;Cc1cc(N)nc2cc(ccc12)c3cccc(CN)c3;Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N","InChI=1S/C17H17N3/c1-11-7-17(19)20-16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-18/h2-9H,10,18H2,1H3,(H2,19,20)","","2019-07-03","2020-04-24","7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine","2020-04-29"],["OUH","[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid","C7 H12 N4 O2","N[CH](CNC(O)=O)Cc1[nH]cnc1;c1c([nH]cn1)CC(CNC(=O)O)N","InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1","","2017-02-10","2024-09-27","[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid","2017-04-12"],["3PW","5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide","C17 H14 Cl N5 O4","O=C2NC(=O)NC2(c1nccn1C)CNC(=O)c4oc3ccc(Cl)cc3c4;Cn1ccnc1[C]2(CNC(=O)c3oc4ccc(Cl)cc4c3)NC(=O)NC2=O;Cn1ccnc1C2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl","InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1","","2014-10-02","2014-12-05","5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide","2014-12-10"],["OUI","[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid","C7 H16 N2 O2","CC[CH](C)[CH](N)CNC(O)=O;CCC(C)C(CNC(=O)O)N","InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1","","2017-02-10","2024-09-27","[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid","2017-04-12"],["3PX","(3S)-3-(propan-2-yloxy)-L-proline","C8 H15 N O3","O=C(O)C1NCCC1OC(C)C;CC(C)O[CH]1CCN[CH]1C(O)=O;CC(C)OC1CCNC1C(=O)O","InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1","","2011-04-26","2024-09-27","(3S)-3-(propan-2-yloxy)-L-proline",""],["3PY","3-HYDROXYPYRUVIC ACID","C3 H4 O4","O=C(O)C(=O)CO;OCC(=O)C(O)=O;C(C(=O)C(=O)O)O","InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)","","1999-07-08","2024-09-27","3-hydroxy-2-oxopropanoic acid",""],["OUJ","7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine","C21 H20 N4 O S","c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C;Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cscn4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N","InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)","","2019-07-05","2020-04-24","7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine","2020-04-29"],["3PZ","(3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile","C29 H29 N5 O3 S","O=S(=O)(c1ccc(OC)cc1)N3C(CN(c2c(cc(C#N)cc2)C3)Cc4cncn4C)Cc5ccccc5;COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[CH]2Cc4ccccc4)Cc5cncn5C)C#N;Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5","InChI=1S/C29H29N5O3S/c1-32-21-31-17-26(32)20-33-19-25(15-22-6-4-3-5-7-22)34(18-24-14-23(16-30)8-13-29(24)33)38(35,36)28-11-9-27(37-2)10-12-28/h3-14,17,21,25H,15,18-20H2,1-2H3/t25-/m1/s1","","2010-12-17","2011-06-04","(3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile",""],["OUK","[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium","C7 H18 N3 O2","N[CH](CCCC[NH3+])CNC(O)=O;C(CC[NH3+])CC(CNC(=O)O)N","InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1","","2017-02-10","2024-09-27","[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium","2017-04-12"],["3Q0","6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine","C13 H15 N7","n1c2cc(ccc2c(N)n1)c3nc(nc(NCC)c3)N;CCNc1cc(nc(N)n1)c2ccc3c(N)[nH]nc3c2;CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N","InChI=1S/C13H15N7/c1-2-16-11-6-9(17-13(15)18-11)7-3-4-8-10(5-7)19-20-12(8)14/h3-6H,2H2,1H3,(H3,14,19,20)(H3,15,16,17,18)","","2011-01-18","2011-06-04","6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine",""],["OUL","4-(4-aminocarbonylphenoxy)benzamide","C14 H12 N2 O3","NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1;c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N","InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)","OUL35","2017-09-25","2024-09-27","4-(4-aminocarbonylphenoxy)benzamide","2018-07-25"],["3Q1","6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine","C15 H17 N7 O","n3c(nc(c2ccc1c(N)nnc1c2)cc3N4CCOCC4)N;Nc1[nH]nc2cc(ccc12)c3cc(nc(N)n3)N4CCOCC4;c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N","InChI=1S/C15H17N7O/c16-14-10-2-1-9(7-12(10)20-21-14)11-8-13(19-15(17)18-11)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H3,16,20,21)(H2,17,18,19)","","2011-01-18","2011-06-04","6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine",""],["OUM","4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile","C25 H22 N4 O","c21c(c(cc(n1)N)C)ccc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N;Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4ccc(cc4)C#N)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N","InChI=1S/C25H22N4O/c1-16-10-25(28)29-23-12-20(6-8-22(16)23)19-7-9-24(21(11-19)14-27)30-15-18-4-2-17(13-26)3-5-18/h2-12H,14-15,27H2,1H3,(H2,28,29)","","2019-07-05","2020-04-24","4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile","2020-04-29"],["3Q2","6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine","C16 H19 N7 O","n3c(nc(c2ccc1c(N)nnc1c2)cc3N4C(COCC4)C)N;C[CH]1COCCN1c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3;CC1COCCN1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N","InChI=1S/C16H19N7O/c1-9-8-24-5-4-23(9)14-7-12(19-16(18)20-14)10-2-3-11-13(6-10)21-22-15(11)17/h2-3,6-7,9H,4-5,8H2,1H3,(H3,17,21,22)(H2,18,19,20)/t9-/m1/s1","","2011-01-18","2011-06-04","6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine",""],["OUO","(2R)-2-(hydroxymethyl)pentanedioic acid","C6 H10 O5","OC(=O)C(CCC(O)=O)CO;OC[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(CO)C(=O)O","InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1","","2022-05-16","2022-06-03","(2R)-2-(hydroxymethyl)pentanedioic acid","2022-06-08"],["3Q3","(2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide","C22 H22 N8 O2","O=C(Nc1ccccc1)C5OCCN(c4nc(nc(c3ccc2c(N)nnc2c3)c4)N)C5;Nc1[nH]nc2cc(ccc12)c3cc(nc(N)n3)N4CCO[CH](C4)C(=O)Nc5ccccc5;c1ccc(cc1)NC(=O)C2CN(CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N","InChI=1S/C22H22N8O2/c23-20-15-7-6-13(10-17(15)28-29-20)16-11-19(27-22(24)26-16)30-8-9-32-18(12-30)21(31)25-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9,12H2,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t18-/m0/s1","","2011-01-18","2011-06-04","(2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide",""],["OUP","7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine","C22 H25 N3 O","c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCC4CCC4)CN)N;Cc1cc(N)nc2cc(ccc12)c3ccc(OCC4CCC4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N","InChI=1S/C22H25N3O/c1-14-9-22(24)25-20-11-17(5-7-19(14)20)16-6-8-21(18(10-16)12-23)26-13-15-3-2-4-15/h5-11,15H,2-4,12-13,23H2,1H3,(H2,24,25)","","2019-07-05","2020-04-24","7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine","2020-04-29"],["3Q4","(3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide","C24 H26 N8 O","O=C(Nc1ccccc1)C5CCC(N(c4nc(nc(c2ccc3c(N)nnc3c2)c4)N)C5)C;C[CH]1CC[CH](CN1c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3)C(=O)Nc5ccccc5;CC1CCC(CN1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5","InChI=1S/C24H26N8O/c1-14-7-8-16(23(33)27-17-5-3-2-4-6-17)13-32(14)21-12-19(28-24(26)29-21)15-9-10-18-20(11-15)30-31-22(18)25/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,27,33)(H3,25,30,31)(H2,26,28,29)/t14-,16+/m1/s1","","2011-01-18","2011-06-04","(3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide",""],["OUQ","(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine","C12 H16 F N O","CC1(C)CO[CH](CN1)c2cccc(F)c2;CC1(COC(CN1)c2cccc(c2)F)C","InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1","","2020-04-06","2020-07-10","(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine","2020-07-15"],["OUR","[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium","C7 H18 N5 O2","N[CH](CCCNC(N)=[NH2+])CNC(O)=O;C(CC(CNC(=O)O)N)CNC(=[NH2+])N","InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1","","2017-02-10","2024-09-27","[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium","2017-04-12"],["3Q5","tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate","C22 H30 N8 O2","O=C(OC(C)(C)C)NC4CCC(N(c3nc(nc(c1ccc2c(N)nnc2c1)c3)N)C4)C;C[CH]1CC[CH](CN1c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3)NC(=O)OC(C)(C)C;CC1CCC(CN1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C","InChI=1S/C22H30N8O2/c1-12-5-7-14(25-21(31)32-22(2,3)4)11-30(12)18-10-16(26-20(24)27-18)13-6-8-15-17(9-13)28-29-19(15)23/h6,8-10,12,14H,5,7,11H2,1-4H3,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t12-,14+/m0/s1","","2011-01-18","2011-06-04","tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate",""],["OUS","7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine","C23 H22 N4 O","c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc4cnccc4)CN)N;Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cccnc4)c(CN)c3;Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N","InChI=1S/C23H22N4O/c1-15-9-23(25)27-21-11-18(4-6-20(15)21)17-5-7-22(19(10-17)12-24)28-14-16-3-2-8-26-13-16/h2-11,13H,12,14,24H2,1H3,(H2,25,27)","","2019-07-05","2020-04-24","7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine","2020-04-29"],["3Q6","tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate","C22 H30 N8 O2","O=C(OC(C)(C)C)NC4CC(C)CN(c3nc(nc(c1ccc2c(N)nnc2c1)c3)N)C4;C[CH]1C[CH](CN(C1)c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3)NC(=O)OC(C)(C)C;CC1CC(CN(C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C","InChI=1S/C22H30N8O2/c1-12-7-14(25-21(31)32-22(2,3)4)11-30(10-12)18-9-16(26-20(24)27-18)13-5-6-15-17(8-13)28-29-19(15)23/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t12-,14-/m1/s1","","2011-01-18","2011-06-04","tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate",""],["OUT","CARBAMIC ACID","C H3 N O2","O=C(O)N;NC(O)=O;C(=O)(N)O","InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)","","2001-02-16","2011-06-04","carbamic acid",""],["3Q7","(trimethylarsonio)acetate","C5 H11 As O2","[O-]C(=O)C[As+](C)(C)C;C[As+](C)(C)CC([O-])=O;C[As+](C)(C)CC(=O)[O-]","InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3","","2014-10-03","2018-03-23","(trimethylarsonio)acetate","2018-03-28"],["OUU","(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid","C11 H19 N O7","CC(=O)NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O)=O;CC(=O)NCCOC1C(C(CC(C1O)O)O)C(=O)O","InChI=1S/C11H19NO7/c1-5(13)12-2-3-19-10-8(11(17)18)6(14)4-7(15)9(10)16/h6-10,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7-,8-,9+,10+/m0/s1","","2022-09-21","2024-09-27","(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid","2022-12-28"],["3Q8","3-[2-[[5-[[(3E,4S)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H40 N4 O6","CCC1=C(C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)[CH](C)C4=CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(C4=CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,19,34-35H,8-15H2,1-6H3,(H,38,39)(H,40,41)/b20-7+/t19-/m0/s1","","2014-10-03","2024-09-27","3-[2-[[5-[[(3E,4S)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2015-12-23"],["3Q9","3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H40 N4 O6","CCC1=C(C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h34-35H,7-15H2,1-6H3,(H,38,39)(H,40,41)","","2014-10-03","2022-08-12","3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2022-08-17"],["OUW","~{N}-methyl-4-(methylamino)pyridine-2-carboxamide","C8 H11 N3 O","CNC(=O)c1cc(NC)ccn1;CNc1ccnc(c1)C(=O)NC","InChI=1S/C8H11N3O/c1-9-6-3-4-11-7(5-6)8(12)10-2/h3-5H,1-2H3,(H,9,11)(H,10,12)","","2020-04-06","2020-07-10","~{N}-methyl-4-(methylamino)pyridine-2-carboxamide","2020-07-15"],["OUY","methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate","C20 H18 F2 N4 O5","COC(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F;COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O","InChI=1S/C20H18F2N4O5/c1-31-15(27)5-2-10-6-13-17(23)16(20(29)26(30)18(13)24-8-10)19(28)25-9-11-3-4-12(21)7-14(11)22/h3-4,6-8,30H,2,5,9,23H2,1H3,(H,25,28)","","2016-12-09","2017-07-28","methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate","2017-08-02"],["3QA","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol","C17 H27 N5 O3 S","OCCOCCSCCC3CN(Cc2cnc1c2ncnc1N)CC3O;Nc1ncnc2c(CN3C[CH](O)[CH](CCSCCOCCO)C3)c[nH]c12;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CCSCCOCCO","InChI=1S/C17H27N5O3S/c18-17-16-15(20-11-21-17)13(7-19-16)9-22-8-12(14(24)10-22)1-5-26-6-4-25-3-2-23/h7,11-12,14,19,23-24H,1-6,8-10H2,(H2,18,20,21)/t12-,14-/m0/s1","2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A","2014-10-06","2021-03-01","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol","2015-11-25"],["3QB","LINCOMYCIN","C18 H34 N2 O6 S","O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2;CCC[CH]1C[CH](N(C)C1)C(=O)N[CH]([CH](C)O)[CH]2O[CH](SC)[CH](O)[CH](O)[CH]2O;CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O","InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1","methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside","2014-10-07","2020-06-17","methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside","2014-11-05"],["OUZ","~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine","C15 H24 N2 O","CCNCCN1C[CH](OC[CH]1C)c2ccccc2;CCNCCN1CC(OCC1C)c2ccccc2","InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1","","2020-04-06","2020-07-10","~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine","2020-07-15"],["3QC","(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE","C20 H24 N2 O2","O=C(N(C)C)N3Cc1c(ccc(c1C)C)C(c2cccc(O)c2)C3;CN(C)C(=O)N1C[CH](c2cccc(O)c2)c3ccc(C)c(C)c3C1;Cc1ccc2c(c1C)CN(CC2c3cccc(c3)O)C(=O)N(C)C","InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1","","2006-01-23","2011-06-04","(4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1H)-carboxamide",""],["OV0","2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one","C24 H18 F2 N4 O2","O=C(c1ccc(Nc2cc(nc3C=NC(=O)c32)c2c(F)cccc2F)cc1)N1CCCC1;Fc1cccc(F)c1c2cc(Nc3ccc(cc3)C(=O)N4CCCC4)c5C(=O)N=Cc5n2;c1cc(c(c(c1)F)c2cc(c3c(n2)C=NC3=O)Nc4ccc(cc4)C(=O)N5CCCC5)F","InChI=1S/C24H18F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12-13H,1-2,10-11H2,(H,28,29)","","2022-05-16","2022-08-19","2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one","2022-08-24"],["3QD","ethylboronic acid","C2 H7 B O2","OB(O)CC;CCB(O)O;B(CC)(O)O","InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3","","2014-10-15","2024-09-27","ethylboronic acid","2014-11-12"],["OV1","N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide","C25 H49 N3 O6 S","O=C(NC(C(=O)NC(CC(C)C)C(O)C(C)CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C;CCCCCC(=O)N[CH](C(C)C)C(=O)N[CH](CC[S](C)=O)C(=O)N[CH](CC(C)C)[CH](O)[CH](C)CO;CCCCCC(=O)NC(C(C)C)C(=O)NC(CCS(=O)C)C(=O)NC(CC(C)C)C(C(C)CO)O","InChI=1S/C25H49N3O6S/c1-8-9-10-11-21(30)28-22(17(4)5)25(33)26-19(12-13-35(7)34)24(32)27-20(14-16(2)3)23(31)18(6)15-29/h16-20,22-23,29,31H,8-15H2,1-7H3,(H,26,33)(H,27,32)(H,28,30)/t18-,19+,20+,22+,23+,35-/m1/s1","Carmaphycin A, bound form","2012-12-10","2024-09-27","N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide","2014-01-29"],["3QE","{[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)","C12 H21 N5 O9 P2","O=P(O)(O)CCOCC(OCCP(=O)(O)O)Cn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(C[CH](COCC[P](O)(O)=O)OCC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)5-8(26-2-4-28(22,23)24)6-25-1-3-27(19,20)21/h7-8H,1-6H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/t8-/m1/s1","","2014-10-07","2015-05-15","{[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)","2015-05-20"],["OV2","N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","C27 H52 N4 O6","O=C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C;CCCCCC(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C)C(=O)N[CH](CC(C)C)[CH](O)[CH](C)CO;CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N(C)C)C(=O)NC(CC(C)C)C(C(C)CO)O","InChI=1S/C27H52N4O6/c1-9-10-11-12-22(33)30-24(18(4)5)27(37)28-20(13-14-23(34)31(7)8)26(36)29-21(15-17(2)3)25(35)19(6)16-32/h17-21,24-25,32,35H,9-16H2,1-8H3,(H,28,37)(H,29,36)(H,30,33)/t19-,20+,21+,24+,25+/m1/s1","Carmaphycin A analogue, bound from","2012-12-10","2024-09-27","N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","2014-01-29"],["3QF","[2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid","C15 H27 N7 O8 P2","O=P(O)(O)CCN(CC=O)CCN(CCP(=O)(O)O)CCn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(CCN(CCN(CC[P](O)(O)=O)CC=O)CC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C15H27N7O8P2/c16-15-18-13-12(14(24)19-15)17-11-22(13)4-3-20(6-9-31(25,26)27)1-2-21(5-8-23)7-10-32(28,29)30/h8,11H,1-7,9-10H2,(H2,25,26,27)(H2,28,29,30)(H3,16,18,19,24)","","2014-10-07","2015-05-15","[2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid","2015-05-20"],["OV3","(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid","C11 H16 F3 N O7","O[CH]1C[CH](O)[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)=O;C1C(C(C(C(C1O)O)OCCNC(=O)C(F)(F)F)C(=O)O)O","InChI=1S/C11H16F3NO7/c12-11(13,14)10(21)15-1-2-22-8-6(9(19)20)4(16)3-5(17)7(8)18/h4-8,16-18H,1-3H2,(H,15,21)(H,19,20)/t4-,5-,6-,7+,8+/m0/s1","","2022-09-21","2024-09-27","(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid","2022-12-28"],["3QG","[2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid","C15 H29 N6 O10 P3","O=P(O)(O)CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CCn1c2NC=NC(=O)c2nc1;O[P](O)(=O)CCN(CCN(CC[P](O)(O)=O)CC[P](O)(O)=O)CCn1cnc2C(=O)N=CNc12;c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O","InChI=1S/C15H29N6O10P3/c22-15-13-14(16-11-17-15)21(12-18-13)4-3-19(5-8-32(23,24)25)1-2-20(6-9-33(26,27)28)7-10-34(29,30)31/h11-12H,1-10H2,(H,16,17,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)","","2014-10-07","2015-05-15","[2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid","2015-05-20"],["OV4","2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide","C23 H23 N5 O","CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21;CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3nnc4ccccc34;CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3","","2023-08-18","2023-11-03","2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide","2023-11-08"],["3QH","6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide","C20 H18 N4 O","C[CH](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c3ccc(C)cc3;Cc1ccc(cc1)C(C)Nc2c3cc(ccc3ncc2C(=O)N)C#N","InChI=1S/C20H18N4O/c1-12-3-6-15(7-4-12)13(2)24-19-16-9-14(10-21)5-8-18(16)23-11-17(19)20(22)25/h3-9,11,13H,1-2H3,(H2,22,25)(H,23,24)/t13-/m1/s1","","2016-05-20","2016-07-29","6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide","2016-08-03"],["OV5","6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide","C21 H15 Cl F N5 O2","CCNC(=O)c1ccc(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl;CCNC(=O)c1ccc(Nc2cc(nc3C=NC(=O)c23)c4c(F)cccc4Cl)nc1;CCNC(=O)c1ccc(nc1)Nc2cc(nc3c2C(=O)N=C3)c4c(cccc4Cl)F","InChI=1S/C21H15ClFN5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-10H,2H2,1H3,(H,24,29)(H,25,27,28)","","2022-05-16","2022-08-19","6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide","2022-08-24"],["3QI","5,6-DIMETHYL-3-(4-METHYL-2-PYRIDINYL)-2-THIOXO-2,3-DIHYDROTHIENO[2,3- D]PYRIMIDIN-4(1H)-ONE","C14 H13 N3 O S2","O=C1c3c(c(sc3N=C(S)N1c2nccc(c2)C)C)C;Cc1ccnc(c1)N2C(=Nc3sc(C)c(C)c3C2=O)S;Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C","InChI=1S/C14H13N3OS2/c1-7-4-5-15-10(6-7)17-13(18)11-8(2)9(3)20-12(11)16-14(17)19/h4-6H,1-3H3,(H,16,19)","","2012-03-21","2012-04-06","5,6-dimethyl-3-(4-methylpyridin-2-yl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one",""],["OV6","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(1-methyl-1,2,3-triazol-4-yl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide","C21 H36 N4 O11","CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(C)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O;CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)C)O)O)NC(=O)C","InChI=1S/C21H36N4O11/c1-4-5-32-20-14(22-10(2)28)16(30)18(13(8-27)35-20)36-21-17(31)19(15(29)12(7-26)34-21)33-9-11-6-25(3)24-23-11/h6,12-21,26-27,29-31H,4-5,7-9H2,1-3H3,(H,22,28)/t12-,13-,14-,15+,16-,17-,18-,19+,20-,21+/m1/s1","","2022-09-21","2023-09-15","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(1-methyl-1,2,3-triazol-4-yl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide","2023-09-20"],["3QJ","hexyl(trihydroxy)borate(1-)","C6 H16 B O3","O[B-](O)(O)CCCCCC;CCCCCC[B-](O)(O)O;[B-](CCCCCC)(O)(O)O","InChI=1S/C6H16BO3/c1-2-3-4-5-6-7(8,9)10/h8-10H,2-6H2,1H3/q-1","","2014-10-17","2024-09-27","hexyl(trihydroxy)borate(1-)","2014-11-12"],["OV7","(2R)-amino[(carboxymethyl)sulfanyl]acetic acid","C4 H7 N O4 S","NC(C(O)=O)SCC(O)=O;N[CH](SCC(O)=O)C(O)=O;C(C(=O)O)SC(C(=O)O)N","InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1","","2019-07-08","2024-09-27","(2R)-amino[(carboxymethyl)sulfanyl]acetic acid","2019-08-07"],["3QK","trihydroxy(octyl)borate(1-)","C8 H20 B O3","O[B-](O)(O)CCCCCCCC;CCCCCCCC[B-](O)(O)O;[B-](CCCCCCCC)(O)(O)O","InChI=1S/C8H20BO3/c1-2-3-4-5-6-7-8-9(10,11)12/h10-12H,2-8H2,1H3/q-1","","2014-10-17","2024-09-27","trihydroxy(octyl)borate(1-)","2014-11-12"],["OV8","[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C18 H34 N6 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CN)nn2)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CN)O)O)N","InChI=1S/C18H34N6O7S/c1-11(2)6-14(20)18(27)22-32(28,29)31-10-15-17(26)16(25)12(9-30-15)4-3-5-24-8-13(7-19)21-23-24/h8,11-12,14-17,25-26H,3-7,9-10,19-20H2,1-2H3,(H,22,27)/t12-,14+,15-,16+,17-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3QL","N-[(1R,2S,3R,4R,5R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide","C16 H26 N2 O10","O=C(NC3C(O)C(O)C(OC3OC1C(O)C(NC(=O)C)C2OC1CO2)CO)C;CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)[CH]3CO[CH]1O3;CC(=O)NC1C(C(C2COC1O2)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O","InChI=1S/C16H26N2O10/c1-5(20)17-9-12(23)11(22)7(3-19)26-16(9)28-14-8-4-25-15(27-8)10(13(14)24)18-6(2)21/h7-16,19,22-24H,3-4H2,1-2H3,(H,17,20)(H,18,21)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1","","2014-10-08","2015-07-02","N-[(1R,2S,3R,4R,5R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name)","2015-07-07"],["OV9","2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid","C7 H5 N5 O3","NC1=Nc2nc(cnc2C(=O)N1)C(O)=O;c1c(nc2c(n1)C(=O)NC(=N2)N)C(=O)O","InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)","","2023-02-14","2024-09-27","2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid","2023-09-20"],["3QM","[(2R)-2-nitrosopropyl]benzene","C9 H11 N O","O=NC(Cc1ccccc1)C;C[CH](Cc1ccccc1)N=O;CC(Cc1ccccc1)N=O","InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1","2-nitroso-1-phenylpropane","2014-10-08","2021-03-01","[(2R)-2-nitrosopropyl]benzene","2017-05-10"],["OVA","3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE","C16 H26 O5","O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C)CC2;CO[CH]1C(=O)CC[C](C)(O)[C]1(O)[C]2(C)O[CH]2CC=C(C)C;CC(=CCC1C(O1)(C)C2(C(C(=O)CCC2(C)O)OC)O)C","InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1","OVALICIN","1999-07-23","2024-09-27","(2S,3R,4R)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexanone",""],["3QN","(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine","C15 H23 N2 O7 P","O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O;Cc1ccc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O)=O)c1O;Cc1ccc(c(c1O)C=NCCCCC(C(=O)O)N)COP(=O)(O)O","InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1","","2011-02-09","2024-09-27","(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine",""],["OVB","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C24 H34 F3 N5 O8 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccc(OC(F)(F)F)cc3)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N","InChI=1S/C24H34F3N5O8S/c1-14(2)10-18(28)23(35)30-41(36,37)39-13-20-22(34)21(33)16(12-38-20)4-3-9-32-11-19(29-31-32)15-5-7-17(8-6-15)40-24(25,26)27/h5-8,11,14,16,18,20-22,33-34H,3-4,9-10,12-13,28H2,1-2H3,(H,30,35)/t16-,18+,20-,21+,22-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3QO","4-benzylpyridine","C12 H11 N","n1ccc(cc1)Cc2ccccc2;C(c1ccccc1)c2ccncc2;c1ccc(cc1)Cc2ccncc2","InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2","","2011-02-16","2011-09-09","4-benzylpyridine",""],["OVC","2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one","C19 H12 F2 N4 O2","Fc1cccc(F)c1c1nc2C=NC(=O)c2c(n1)Nc1ccc(OC)cc1;COc1ccc(Nc2nc(nc3C=NC(=O)c23)c4c(F)cccc4F)cc1;COc1ccc(cc1)Nc2c3c(nc(n2)c4c(cccc4F)F)C=NC3=O","InChI=1S/C19H12F2N4O2/c1-27-11-7-5-10(6-8-11)23-18-16-14(9-22-19(16)26)24-17(25-18)15-12(20)3-2-4-13(15)21/h2-9H,1H3,(H,23,24,25)","","2022-05-16","2022-08-19","2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one","2022-08-24"],["3QP","(E)-N-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid","C13 H16 N O9 P","O=C(O)C(/N=C/c1c(ccc(c1O)C)COP(=O)(O)O)CC(=O)O;Cc1ccc(CO[P](O)(O)=O)c(C=N[CH](CC(O)=O)C(O)=O)c1O;Cc1ccc(c(c1O)C=NC(CC(=O)O)C(=O)O)COP(=O)(O)O","InChI=1S/C13H16NO9P/c1-7-2-3-8(6-23-24(20,21)22)9(12(7)17)5-14-10(13(18)19)4-11(15)16/h2-3,5,10,17H,4,6H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/b14-5+/t10-/m0/s1","","2011-02-15","2011-06-10","(E)-N-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid",""],["OVD","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide","C20 H34 N4 O11","CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3c[nH]nn3)[CH]2O)[CH](O)[CH]1NC(C)=O;CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3c[nH]nn3)O)O)NC(=O)C","InChI=1S/C20H34N4O11/c1-3-4-31-19-13(22-9(2)27)15(29)17(12(7-26)34-19)35-20-16(30)18(14(28)11(6-25)33-20)32-8-10-5-21-24-23-10/h5,11-20,25-26,28-30H,3-4,6-8H2,1-2H3,(H,22,27)(H,21,23,24)/t11-,12-,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1","","2022-09-21","2023-09-15","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide","2023-09-20"],["3QQ","N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide","C22 H31 F N4 O4 S2","O=S(=O)(N3CCC(Nc1ncc(cc1)S(=O)(=O)N(Cc2ccc(F)cc2)CC(C)C)CC3)C;CC(C)CN(Cc1ccc(F)cc1)[S](=O)(=O)c2ccc(NC3CCN(CC3)[S](C)(=O)=O)nc2;CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C","InChI=1S/C22H31FN4O4S2/c1-17(2)15-27(16-18-4-6-19(23)7-5-18)33(30,31)21-8-9-22(24-14-21)25-20-10-12-26(13-11-20)32(3,28)29/h4-9,14,17,20H,10-13,15-16H2,1-3H3,(H,24,25)","","2014-10-08","2014-11-07","N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide","2014-11-12"],["OVE","2'-O-(sulfidophosphinato)adenosine","C10 H14 N5 O6 P S","[O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(S)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)OP(=O)(O)S)N","InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1","ADENOSINE-2'-MONOPHOSPHOROTHIOATE","2012-10-29","2021-03-01","2'-O-(sulfidophosphinato)adenosine","2013-07-10"],["3QR","[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside","C16 H18 N4 O9 S","O=C2c1ccc(cc1S(=O)(=O)N2)n3nnc(c3)COC4OC(CO)C(O)C(O)C4O;OC[CH]1O[CH](OCc2cn(nn2)c3ccc4C(=O)N[S](=O)(=O)c4c3)[CH](O)[CH](O)[CH]1O;c1cc2c(cc1n3cc(nn3)COC4C(C(C(C(O4)CO)O)O)O)S(=O)(=O)NC2=O","InChI=1S/C16H18N4O9S/c21-5-10-12(22)13(23)14(24)16(29-10)28-6-7-4-20(19-17-7)8-1-2-9-11(3-8)30(26,27)18-15(9)25/h1-4,10,12-14,16,21-24H,5-6H2,(H,18,25)/t10-,12+,13-,14+,16+/m0/s1","","2014-10-09","2015-01-30","[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside","2015-02-04"],["OVF","2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide","C23 H22 Cl N5 O","CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21;CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34;CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3","InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3","","2023-08-18","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide","2023-11-08"],["OVG","(6-butoxy-1-benzofuran-3-yl)acetic acid","C14 H16 O4","C(=O)(O)Cc2coc1c2ccc(c1)OCCCC;CCCCOc1ccc2c(CC(O)=O)coc2c1;CCCCOc1ccc2c(c1)occ2CC(=O)O","InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)","","2019-07-09","2019-11-01","(6-butoxy-1-benzofuran-3-yl)acetic acid","2019-11-06"],["3QS","1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine","C22 H28 N6 O","n1ccc(nc1N2CCC(OC)CC2)Nc3ncc4c(c3)n(cc4)C5CCCC5;COC1CCN(CC1)c2nccc(Nc3cc4n(ccc4cn3)C5CCCC5)n2;COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3","InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)","","2014-10-09","2014-11-21","1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine","2014-11-26"],["3QT","6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline","C20 H16 N6","n1cc(n2nc(ccc12)c3cn(nc3)C)Cc5cc4cccnc4cc5;Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2;Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5","InChI=1S/C20H16N6/c1-25-13-16(11-23-25)19-6-7-20-22-12-17(26(20)24-19)10-14-4-5-18-15(9-14)3-2-8-21-18/h2-9,11-13H,10H2,1H3","","2011-02-24","2011-07-01","6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline",""],["OVH","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C23 H35 N5 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccccc3)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)c3ccccc3)O)O)N","InChI=1S/C23H35N5O7S/c1-15(2)11-18(24)23(31)26-36(32,33)35-14-20-22(30)21(29)17(13-34-20)9-6-10-28-12-19(25-27-28)16-7-4-3-5-8-16/h3-5,7-8,12,15,17-18,20-22,29-30H,6,9-11,13-14,24H2,1-2H3,(H,26,31)/t17-,18+,20-,21+,22-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3QU","4-(4-nitrobenzyl)pyridine","C12 H10 N2 O2","[O-][N+](=O)c1ccc(cc1)Cc2ccncc2;[O-][N+](=O)c1ccc(Cc2ccncc2)cc1;c1cc(ccc1Cc2ccncc2)[N+](=O)[O-]","InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2","","2011-02-25","2011-09-16","4-(4-nitrobenzyl)pyridine",""],["OVI","2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide","C22 H17 F2 N5 O2","CCNC(=O)Cc1ccc(cc1)Nc1nc(nc2C=NC(=O)c21)c1c(F)cccc1F;CCNC(=O)Cc1ccc(Nc2nc(nc3C=NC(=O)c23)c4c(F)cccc4F)cc1;CCNC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4c(cccc4F)F)C=NC3=O","InChI=1S/C22H17F2N5O2/c1-2-25-17(30)10-12-6-8-13(9-7-12)27-21-19-16(11-26-22(19)31)28-20(29-21)18-14(23)4-3-5-15(18)24/h3-9,11H,2,10H2,1H3,(H,25,30)(H,27,28,29)","","2022-05-16","2022-08-19","2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide","2022-08-24"],["3QV","7-hydroxy-2-oxo-2H-chromene-3-carbonitrile","C10 H5 N O3","N#CC1=Cc2c(OC1=O)cc(O)cc2;Oc1ccc2C=C(C#N)C(=O)Oc2c1;c1cc2c(cc1O)OC(=O)C(=C2)C#N","InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H","","2011-03-03","2011-08-26","7-hydroxy-2-oxo-2H-chromene-3-carbonitrile",""],["OVJ","{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid","C17 H15 N O4","c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3;COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1;COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O","InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20)","","2019-07-09","2019-11-01","{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid","2019-11-06"],["3QW","N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","C23 H28 N8 O","O(C)C5CCN(c1nccc(n1)Nc4ncc3c(n(c(c2cnnc2)c3)C(C)C)c4)CC5;COC1CCN(CC1)c2nccc(Nc3cc4n(C(C)C)c(cc4cn3)c5c[nH]nc5)n2;CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC","InChI=1S/C23H28N8O/c1-15(2)31-19(17-13-26-27-14-17)10-16-12-25-22(11-20(16)31)28-21-4-7-24-23(29-21)30-8-5-18(32-3)6-9-30/h4,7,10-15,18H,5-6,8-9H2,1-3H3,(H,26,27)(H,24,25,28,29)","","2014-10-09","2014-11-21","N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","2014-11-26"],["OVK","[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C20 H30 N6 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](CCn2nnc(n2)c3ccccc3)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)CCn2nc(nn2)c3ccccc3)O)O)N","InChI=1S/C20H30N6O7S/c1-12(2)10-14(21)20(29)24-34(30,31)32-11-16-18(28)17(27)15(33-16)8-9-26-23-19(22-25-26)13-6-4-3-5-7-13/h3-7,12,14-18,27-28H,8-11,21H2,1-2H3,(H,24,29)/t14-,15-,16+,17-,18+/m0/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["OVL","(1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione","C29 H36 N14 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNC(=O)NCCCNC(=O)C4)O)O)N)O)O)N","InChI=1S/C29H36N14O8/c30-23-17-25(37-10-35-23)42(12-39-17)27-21(47)20(46)14(51-27)8-41-6-1-3-15-40-18-24(31)36-11-38-26(18)43(15)28-22(48)19(45)13(50-28)7-34-29(49)33-5-2-4-32-16(44)9-41/h10-14,19-22,27-28,45-48H,2,4-9H2,(H,32,44)(H2,30,35,37)(H2,31,36,38)(H2,33,34,49)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1","","2022-09-21","2023-05-15","(1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione","2023-01-11"],["3QX","4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide","C14 H17 F N4 O","FC3(C)CCCC3Nc1c2cccn2ncc1C(=O)N;C[C]1(F)CCC[CH]1Nc2c3cccn3ncc2C(N)=O;CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)F","InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1","","2014-10-09","2014-12-19","4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide","2014-12-24"],["3QY","N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","C20 H22 N8 O","O(C)C5CCN(c1nccc(n1)Nc4ncc3c(nc(c2cnnc2)c3)c4)CC5;COC1CCN(CC1)c2nccc(Nc3cc4[nH]c(cc4cn3)c5c[nH]nc5)n2;COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3","InChI=1S/C20H22N8O/c1-29-15-3-6-28(7-4-15)20-21-5-2-18(27-20)26-19-9-17-13(10-22-19)8-16(25-17)14-11-23-24-12-14/h2,5,8-12,15,25H,3-4,6-7H2,1H3,(H,23,24)(H,21,22,26,27)","","2014-10-10","2014-11-21","N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","2014-11-26"],["OVM","3-methoxybenzoic acid","C8 H8 O3","C(O)(c1cccc(c1)OC)=O;COc1cccc(c1)C(O)=O;COc1cccc(c1)C(=O)O","InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)","","2019-07-09","2019-11-22","3-methoxybenzoic acid","2019-11-27"],["OVN","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C21 H39 N5 O8 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CCCCO)nn2)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CCCCO)O)O)N","InChI=1S/C21H39N5O8S/c1-14(2)10-17(22)21(30)24-35(31,32)34-13-18-20(29)19(28)15(12-33-18)6-5-8-26-11-16(23-25-26)7-3-4-9-27/h11,14-15,17-20,27-29H,3-10,12-13,22H2,1-2H3,(H,24,30)/t15-,17+,18-,19+,20-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3QZ","(9beta)-17-hydroxypregn-4-ene-3,20-dione","C21 H30 O3","O=C1C=C4C(CC1)(C2C(C3C(C)(CC2)C(O)(C(=O)C)CC3)CC4)C;CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O","InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1","","2011-03-11","2012-01-13","(9beta)-17-hydroxypregn-4-ene-3,20-dione",""],["3R0","N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine","C19 H21 N9 O","O(C)C5CCN(c1nccc(n1)Nc3ncc2nc(nc2c3)c4cnnc4)CC5;COC1CCN(CC1)c2nccc(Nc3cc4nc([nH]c4cn3)c5c[nH]nc5)n2;COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5","InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)","","2014-10-10","2014-11-21","N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine","2014-11-26"],["OVO","4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine","C16 H14 N2 O","Nc1occ(n1)c2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)c3coc(n3)N","InChI=1S/C16H14N2O/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)","4-(4-benzylphenyl)-oxazol-2-amine","2022-09-05","2023-04-28","4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine","2023-05-03"],["3R1","2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide","C20 H20 Cl2 N6 O2","Clc1cccc(Cl)c1C(=O)Nc2cc(ncc2)Nc3nc(nc(c3)C)NC(CO)C;C[CH](CO)Nc1nc(C)cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)n1;Cc1cc(nc(n1)NC(C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl","InChI=1S/C20H20Cl2N6O2/c1-11-8-17(28-20(24-11)25-12(2)10-29)27-16-9-13(6-7-23-16)26-19(30)18-14(21)4-3-5-15(18)22/h3-9,12,29H,10H2,1-2H3,(H3,23,24,25,26,27,28,30)/t12-/m0/s1","","2014-10-10","2014-11-21","2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide","2014-11-26"],["OVP","3-(methylsulfanyl)benzoic acid","C8 H8 O2 S","CSc1cccc(c1)C(O)=O;CSc1cccc(c1)C(O)=O;CSc1cccc(c1)C(=O)O","InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)","","2019-07-09","2019-11-22","3-(methylsulfanyl)benzoic acid","2019-11-27"],["3R2","2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine","C17 H28 N2 O13 P2","O=P(OC1CC(C)C(O)C(O)C1)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O;C[CH]1C[CH](C[CH](O)[CH]1O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1CC(CC(C1O)O)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O","InChI=1S/C17H28N2O13P2/c1-8-3-10(4-12(21)15(8)22)31-34(27,28)32-33(25,26)29-7-13-11(20)5-14(30-13)19-6-9(2)16(23)18-17(19)24/h6,8,10-15,20-22H,3-5,7H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t8-,10-,11-,12+,13+,14+,15+/m0/s1","","2014-10-10","2015-01-23","2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine","2015-01-28"],["OVQ","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C22 H34 N6 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3cccnc3)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)c3cccnc3)O)O)N","InChI=1S/C22H34N6O7S/c1-14(2)9-17(23)22(31)26-36(32,33)35-13-19-21(30)20(29)16(12-34-19)6-4-8-28-11-18(25-27-28)15-5-3-7-24-10-15/h3,5,7,10-11,14,16-17,19-21,29-30H,4,6,8-9,12-13,23H2,1-2H3,(H,26,31)/t16-,17+,19-,20+,21-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3R3","[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","C5 H14 N O13 P3","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O;C(C1C(C(C(O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1","","2014-10-13","2020-07-17","[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","2015-12-23"],["OVR","(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate","C17 H23 N O4","CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1;CN1[CH]2C[CH](O)[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3;CN1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3","InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1","","2022-05-18","2023-11-17","(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate","2023-11-22"],["3R4","3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid","C9 H4 Cl F O2 S","O=C(O)c2sc1cc(F)ccc1c2Cl;OC(=O)c1sc2cc(F)ccc2c1Cl;c1cc2c(cc1F)sc(c2Cl)C(=O)O","InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)","","2014-10-13","2015-05-01","3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid","2015-05-06"],["OVS","(6-phenoxy-1-benzofuran-3-yl)acetic acid","C16 H12 O4","O(c1ccccc1)c2cc3c(cc2)c(CC(O)=O)co3;OC(=O)Cc1coc2cc(Oc3ccccc3)ccc12;c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O","InChI=1S/C16H12O4/c17-16(18)8-11-10-19-15-9-13(6-7-14(11)15)20-12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,17,18)","","2019-07-09","2019-11-01","(6-phenoxy-1-benzofuran-3-yl)acetic acid","2019-11-06"],["3R5","5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde","C14 H13 N O3","O=Cc2c(OCc1cccnc1)ccc(OC)c2;COc1ccc(OCc2cccnc2)c(C=O)c1;COc1ccc(c(c1)C=O)OCc2cccnc2","InChI=1S/C14H13NO3/c1-17-13-4-5-14(12(7-13)9-16)18-10-11-3-2-6-15-8-11/h2-9H,10H2,1H3","","2011-03-24","2024-09-27","5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde",""],["OVT","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C25 H39 N5 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CCc3ccccc3)nn2)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N","InChI=1S/C25H39N5O7S/c1-17(2)13-21(26)25(33)28-38(34,35)37-16-22-24(32)23(31)19(15-36-22)9-6-12-30-14-20(27-29-30)11-10-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,31-32H,6,9-13,15-16,26H2,1-2H3,(H,28,33)/t19-,21+,22-,23+,24-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3R6","2-hydroxy-5-(methylsulfanyl)benzoic acid","C8 H8 O3 S","O=C(O)c1cc(SC)ccc1O;CSc1ccc(O)c(c1)C(O)=O;CSc1ccc(c(c1)C(=O)O)O","InChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)","","2014-10-13","2015-05-01","2-hydroxy-5-(methylsulfanyl)benzoic acid","2015-05-06"],["OVU","(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid","C7 H10 O6","O[CH]1C[C](O)([CH]2O[CH]2[CH]1O)C(O)=O;C1C(C(C2C(C1(C(=O)O)O)O2)O)O","InChI=1S/C7H10O6/c8-2-1-7(12,6(10)11)5-4(13-5)3(2)9/h2-5,8-9,12H,1H2,(H,10,11)/t2-,3+,4+,5+,7-/m1/s1","","2022-09-21","2023-02-10","(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid","2023-02-15"],["3R7","4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid","C15 H13 N O4 S","O=S(=O)(Nc1cc(/C=C)ccc1C(=O)O)c2ccccc2;OC(=O)c1ccc(C=C)cc1N[S](=O)(=O)c2ccccc2;C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O","InChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18)","","2014-10-13","2015-05-01","4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid","2015-05-06"],["OVV","3-methylbenzoic acid","C8 H8 O2","Cc1cccc(c1)C(O)=O;Cc1cccc(c1)C(O)=O;Cc1cccc(c1)C(=O)O","InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)","","2019-07-10","2024-09-27","3-methylbenzoic acid","2019-11-27"],["OVW","[(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C25 H47 N5 O7 S","CCCCCCCCc1cn(CCC[CH]2CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(C)C)[CH](O)[CH]2O)nn1;CCCCCCCCc1cn(nn1)CCCC2COC(C(C2O)O)COS(=O)(=O)NC(=O)C(CC(C)C)N","InChI=1S/C25H47N5O7S/c1-4-5-6-7-8-9-12-20-15-30(29-27-20)13-10-11-19-16-36-22(24(32)23(19)31)17-37-38(34,35)28-25(33)21(26)14-18(2)3/h15,18-19,21-24,31-32H,4-14,16-17,26H2,1-3H3,(H,28,33)/t19-,21+,22-,23+,24-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3R9","(3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","C7 H11 N O2 S3","O=C(O)C1N2C(SCC2SC1)CS;OC(=O)[CH]1CS[CH]2CS[CH](CS)N12;C1C(N2C(S1)CSC2CS)C(=O)O","InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1","","2014-10-13","2014-11-21","(3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","2014-11-26"],["3RA","5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one","C17 H13 N3 O3","O=C1N=C(N=C1Cc2ccc3OCOc3c2)Nc4ccccc4;O=C1N=C(Nc2ccccc2)N=C1Cc3ccc4OCOc4c3;c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4","InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,18,20,21)","","2011-04-04","2011-06-04","5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one",""],["OVX","1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one","C20 H16 Cl N3 O2","O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1;Clc1cccc(c1)N2CCN(CC2=O)C(=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl","InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2","","2023-08-18","2023-11-03","1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one","2023-11-08"],["3RB","(2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid","C21 H24 O2","O=C(O)C=C(C=CC=C(/C=C2/c1c(cccc1)CCCC2)C)C;CC(C=CC=C(C)C=C1CCCCc2ccccc12)=CC(O)=O;CC(=CC(=O)O)C=CC=C(C)C=C1CCCCc2c1cccc2","InChI=1S/C21H24O2/c1-16(8-7-9-17(2)15-21(22)23)14-19-12-4-3-10-18-11-5-6-13-20(18)19/h5-9,11,13-15H,3-4,10,12H2,1-2H3,(H,22,23)/b9-7+,16-8-,17-15+,19-14+","","2014-10-13","2015-09-11","(2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid","2015-09-16"],["OVY","(2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)","C11 H20 N2 O9","C(NC(C(C(C(CO)O)O)O)C(C/C(C(O)=O)=NO)O)(C)=O;CC(=O)N[CH]([CH](O)CC(=NO)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C(CC(=NO)C(=O)O)O)C(C(C(CO)O)O)O","InChI=1S/C11H20N2O9/c1-4(15)12-8(10(19)9(18)7(17)3-14)6(16)2-5(13-22)11(20)21/h6-10,14,16-19,22H,2-3H2,1H3,(H,12,15)(H,20,21)/b13-5+/t6-,7+,8+,9+,10+/m0/s1","","2019-07-10","2019-09-27","(2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)","2019-10-02"],["OVZ","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C25 H40 N6 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNCc3ccccc3)nn2)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N","InChI=1S/C25H40N6O7S/c1-17(2)11-21(26)25(34)29-39(35,36)38-16-22-24(33)23(32)19(15-37-22)9-6-10-31-14-20(28-30-31)13-27-12-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,27,32-33H,6,9-13,15-16,26H2,1-2H3,(H,29,34)/t19-,21+,22-,23+,24-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3RC","3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","C16 H13 N5","n1nn(cc1c3c2cccnc2nc3)Cc4ccccc4;C(n1cc(nn1)c2c[nH]c3ncccc23)c4ccccc4;c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4","InChI=1S/C16H13N5/c1-2-5-12(6-3-1)10-21-11-15(19-20-21)14-9-18-16-13(14)7-4-8-17-16/h1-9,11H,10H2,(H,17,18)","","2011-04-11","2012-11-29","3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine",""],["3RD","4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid","C15 H14 N3 O8 P","O=C(O)c2ccc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc2;Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CO[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(c(n1)N=Nc2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O","InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+","FOBISIN101","2011-05-21","2024-09-27","4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid",""],["OW0","(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate","C17 H21 N O4","OCC(c1ccccc1)C(=O)OC1CC2N(C)C(C1)C1OC21;CN1[CH]2C[CH](C[CH]1[CH]3O[CH]23)OC(=O)[CH](CO)c4ccccc4;CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1","","2022-05-18","2023-11-17","(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate","2023-11-22"],["3RE","2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one","C18 H22 N6 O2","O=C2N(c1nc(nc(c1C=C2c3nncc3)C)N)C4CCC(OC)CC4;CO[CH]1CC[CH](CC1)N2C(=O)C(=Cc3c(C)nc(N)nc23)c4cc[nH]n4;Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC","InChI=1S/C18H22N6O2/c1-10-13-9-14(15-7-8-20-23-15)17(25)24(16(13)22-18(19)21-10)11-3-5-12(26-2)6-4-11/h7-9,11-12H,3-6H2,1-2H3,(H,20,23)(H2,19,21,22)/t11-,12-","","2010-12-07","2011-06-04","2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one",""],["OW1","Nirmatrelvir (reacted form)","C24 H35 F3 N4 O4","CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=C)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C=C)C","InChI=1S/C24H35F3N4O4/c1-7-13(10-12-8-9-28-18(12)32)29-19(33)16-15-14(23(15,5)6)11-31(16)20(34)17(22(2,3)4)30-21(35)24(25,26)27/h7,12-17H,1,8-11H2,2-6H3,(H,28,32)(H,29,33)(H,30,35)/t12-,13+,14-,15-,16-,17+/m0/s1","(1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-09-22","2024-09-27","(1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-02-22"],["3RF","N~2~-(4-aminophenyl)-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine","C20 H19 N7","n1c(nc4c(c1Nc2nnc(c2)C3CC3)cccc4)Nc5ccc(N)cc5;Nc1ccc(Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2)cc1;c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5","InChI=1S/C20H19N7/c21-13-7-9-14(10-8-13)22-20-23-16-4-2-1-3-15(16)19(25-20)24-18-11-17(26-27-18)12-5-6-12/h1-4,7-12H,5-6,21H2,(H3,22,23,24,25,26,27)","","2014-10-14","2015-01-09","N~2~-(4-aminophenyl)-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine","2015-01-14"],["OW2","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C26 H41 N7 O8 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)NCc3ccccc3)nn2)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N","InChI=1S/C26H41N7O8S/c1-17(2)11-21(27)25(36)31-42(38,39)41-16-22-24(35)23(34)19(15-40-22)9-6-10-33-14-20(30-32-33)13-29-26(37)28-12-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,34-35H,6,9-13,15-16,27H2,1-2H3,(H,31,36)(H2,28,29,37)/t19-,21+,22-,23+,24-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3RG","2-[(carboxymethyl)amino]benzoic acid","C9 H9 N O4","O=C(O)c1ccccc1NCC(=O)O;OC(=O)CNc1ccccc1C(O)=O;c1ccc(c(c1)C(=O)O)NCC(=O)O","InChI=1S/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)","","2011-07-26","2012-08-03","2-[(carboxymethyl)amino]benzoic acid",""],["OW4","3-(methylamino)benzoic acid","C8 H9 N O2","CNc1cccc(c1)C(O)=O;CNc1cccc(c1)C(O)=O;CNc1cccc(c1)C(=O)O","InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)","","2019-07-11","2019-11-22","3-(methylamino)benzoic acid","2019-11-27"],["3RH","(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine","C18 H15 N3","n4c3c1c(cccc1)C(c2ccccc2)Cc3cnc4N;Nc1ncc2C[CH](c3ccccc3)c4ccccc4c2n1;c1ccc(cc1)C2Cc3cnc(nc3-c4c2cccc4)N","InChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1","","2011-04-19","2011-06-04","(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine",""],["OW5","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C28 H45 N5 O7 S","CCCCCc1ccc(cc1)c2cn(CCC[CH]3CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(C)C)[CH](O)[CH]3O)nn2;CCCCCc1ccc(cc1)c2cn(nn2)CCCC3COC(C(C3O)O)COS(=O)(=O)NC(=O)C(CC(C)C)N","InChI=1S/C28H45N5O7S/c1-4-5-6-8-20-10-12-21(13-11-20)24-16-33(32-30-24)14-7-9-22-17-39-25(27(35)26(22)34)18-40-41(37,38)31-28(36)23(29)15-19(2)3/h10-13,16,19,22-23,25-27,34-35H,4-9,14-15,17-18,29H2,1-3H3,(H,31,36)/t22-,23+,25-,26+,27-/m1/s1","","2020-04-06","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["3RI","(3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol","C8 H17 N O5","OC1CN(CCO)CC(O)C(O)C1O;OCCN1C[CH](O)[CH](O)[CH](O)[CH](O)C1;C1C(C(C(C(CN1CCO)O)O)O)O","InChI=1S/C8H17NO5/c10-2-1-9-3-5(11)7(13)8(14)6(12)4-9/h5-8,10-14H,1-4H2/t5-,6-,7+,8+/m0/s1","","2011-04-18","2012-03-09","(3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol",""],["OW6","6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid","C29 H23 Cl N2 O6","O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(ccc2n1)/C=C/c1ccc(Cl)cc1)C(=O)O;COC(=O)[CH](Cc1ccc(O)cc1)NC(=O)c2cc(C(O)=O)c3cc(C=Cc4ccc(Cl)cc4)ccc3n2;COC(=O)C(Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)C=Cc4ccc(cc4)Cl)C(=O)O","InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m1/s1","","2022-05-18","2023-03-31","6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid","2023-04-05"],["3RJ","N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine","C22 H20 N8","n1c(nc4c(c1Nc2nnc(c2)C3CCC3)cccc4)Nc6ccc5ncnc5c6;C1CC(C1)c2[nH]nc(Nc3nc(Nc4ccc5nc[nH]c5c4)nc6ccccc36)c2;c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6","InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)","","2014-10-14","2015-01-09","N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine","2015-01-14"],["OW7","3-ethoxybenzoic acid","C9 H10 O3","C(c1cccc(c1)OCC)(O)=O;CCOc1cccc(c1)C(O)=O;CCOc1cccc(c1)C(=O)O","InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)","","2019-07-11","2019-11-22","3-ethoxybenzoic acid","2019-11-27"],["3RK","(3S,4R,5R,6S)-azepane-3,4,5,6-tetrol","C6 H13 N O4","OC1C(O)C(O)CNCC1O;O[CH]1CNC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(CN1)O)O)O)O","InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1","","2011-04-18","2012-03-09","(3S,4R,5R,6S)-azepane-3,4,5,6-tetrol",""],["OW8","~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide","C8 H11 N3 O","CNC(=O)c1n[nH]c2CCCc12;CNC(=O)c1c2c([nH]n1)CCC2","InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)","","2020-04-06","2020-07-10","~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide","2020-07-15"],["3RL","Pterostilbene","C16 H16 O3","O(c1cc(cc(OC)c1)C=Cc2ccc(O)cc2)C;COc1cc(OC)cc(C=Cc2ccc(O)cc2)c1;COc1cc(cc(c1)OC)C=Cc2ccc(cc2)O","InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+","","2014-10-15","2015-07-31","4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol","2015-08-05"],["OW9","1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile","C16 H11 N3 O","Cc1cccc(c1)C(=O)n2cc(C#N)c3cnccc23;Cc1cccc(c1)C(=O)n2cc(c3c2ccnc3)C#N","InChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3","","2022-09-22","2024-09-27","1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile","2023-09-20"],["3RM","5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine","C14 H19 Br N6 O","Brc3ccc(OCCN2CCN(c1nnc(N)n1)CC2)cc3;Nc1[nH]c(nn1)N2CCN(CCOc3ccc(Br)cc3)CC2;c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br","InChI=1S/C14H19BrN6O/c15-11-1-3-12(4-2-11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)","","2011-07-19","2011-08-19","5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine",""],["OWA","methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate","C8 H13 N O3","C1(N(C)CC(CC(OC)=O)C1)=O;COC(=O)C[CH]1CN(C)C(=O)C1;CN1CC(CC1=O)CC(=O)OC","InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1","","2019-07-11","2019-11-22","methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate","2019-11-27"],["3RN","2-(hydroxymethyl)cyclopent-2-en-1-one","C6 H8 O2","O=C1C(=CCC1)CO;OCC1=CCCC1=O;C1CC(=O)C(=C1)CO","InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h2,7H,1,3-4H2","","2011-05-02","2011-07-29","2-(hydroxymethyl)cyclopent-2-en-1-one",""],["OWB","~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide","C22 H23 N5 O2","CC(=O)Nc1cccc(Oc2cc(nc(n2)c3ccncc3)[CH]4CCCNC4)c1;CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)C4CCCNC4","InChI=1S/C22H23N5O2/c1-15(28)25-18-5-2-6-19(12-18)29-21-13-20(17-4-3-9-24-14-17)26-22(27-21)16-7-10-23-11-8-16/h2,5-8,10-13,17,24H,3-4,9,14H2,1H3,(H,25,28)/t17-/m1/s1","","2020-04-06","2020-06-26","~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide","2020-07-01"],["OWC","(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one","C20 H17 Cl N2 O","Clc1cccc(c1)C1CCCN(c2cncc3ccccc23)C1=O;Clc1cccc(c1)[CH]2CCCN(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3CCCC(C3=O)c4cccc(c4)Cl","InChI=1S/C20H17ClN2O/c21-16-7-3-6-14(11-16)18-9-4-10-23(20(18)24)19-13-22-12-15-5-1-2-8-17(15)19/h1-3,5-8,11-13,18H,4,9-10H2/t18-/m0/s1","","2023-08-18","2023-11-03","(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one","2023-11-08"],["3RO","5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C13 H11 Cl N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(Cl)c2;OC(=O)C1=C(CCc2cccc(Cl)c2)C(=O)NC(=O)N1;c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C13H11ClN2O4/c14-8-3-1-2-7(6-8)4-5-9-10(12(18)19)15-13(20)16-11(9)17/h1-3,6H,4-5H2,(H,18,19)(H2,15,16,17,20)","","2012-11-27","2013-11-22","5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-27"],["3RP","4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine","C12 H11 Cl2 N3 O","Clc1c(OC)cc(c(Cl)c1)c2nc(nc(c2)C)N;COc1cc(c(Cl)cc1Cl)c2cc(C)nc(N)n2;Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC","InChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17)","","2011-04-26","2011-06-04","4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine",""],["OWD","{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid","C16 H11 Cl N2 O3","c2(cnc1cc(Cl)ccc1n2)Oc3ccc(CC(O)=O)cc3;OC(=O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1;c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl","InChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21)","","2019-07-12","2020-07-17","{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid","2020-07-22"],["OWF","(3S)-3-hydroxy-D-asparagine","C4 H8 N2 O4","NC(=O)C(O)C(N)C(O)=O;N[CH]([CH](O)C(N)=O)C(O)=O;C(C(C(=O)N)O)(C(=O)O)N","InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1","","2022-05-18","2024-09-27","(3S)-3-hydroxy-D-asparagine","2023-01-11"],["3RQ","4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C15 H10 Cl2 N4 O","Clc3c(OC)cc(c1nc(nc2c1c(C#N)cn2)C)c(Cl)c3;COc1cc(c(Cl)cc1Cl)c2nc(C)nc3[nH]cc(C#N)c23;Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC","InChI=1S/C15H10Cl2N4O/c1-7-20-14(13-8(5-18)6-19-15(13)21-7)9-3-12(22-2)11(17)4-10(9)16/h3-4,6H,1-2H3,(H,19,20,21)","","2011-04-26","2011-06-04","4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["OWG","3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one","C33 H38 N6 O6","c5(c(CCC(N1C(c2c(CN1)cc(OC)c(OC)c2)c3ccc(cc3)OC)=O)cc(Cc4c(nc(N)nc4)N)cc5OC)OC;COc1ccc(cc1)[CH]2N(NCc3cc(OC)c(OC)cc23)C(=O)CCc4cc(Cc5cnc(N)nc5N)cc(OC)c4OC;COc1ccc(cc1)C2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC","InChI=1S/C33H38N6O6/c1-41-24-9-6-20(7-10-24)30-25-16-27(43-3)26(42-2)15-22(25)18-37-39(30)29(40)11-8-21-12-19(14-28(44-4)31(21)45-5)13-23-17-36-33(35)38-32(23)34/h6-7,9-10,12,14-17,30,37H,8,11,13,18H2,1-5H3,(H4,34,35,36,38)/t30-/m0/s1","","2019-07-12","2020-06-12","3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one","2020-06-17"],["3RR","4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C16 H12 Cl2 N4 O","Clc3c(OC)cc(c1nc(nc2c1c(C#N)c(n2)C)C)c(Cl)c3;COc1cc(c(Cl)cc1Cl)c2nc(C)nc3[nH]c(C)c(C#N)c23;Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N","InChI=1S/C16H12Cl2N4O/c1-7-10(6-19)14-15(21-8(2)22-16(14)20-7)9-4-13(23-3)12(18)5-11(9)17/h4-5H,1-3H3,(H,20,21,22)","","2011-04-26","2011-06-04","4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["3RS","(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide","C27 H33 N3 O2","O=C(NC1CC(OCC1)(C)C)C(C)Cc3cc4cc(c2ccccc2C)ccc4nc3N;C[CH](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)N[CH]4CCOC(C)(C)C4;Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CC(C)C(=O)NC4CCOC(C4)(C)C","InChI=1S/C27H33N3O2/c1-17-7-5-6-8-23(17)19-9-10-24-20(14-19)15-21(25(28)30-24)13-18(2)26(31)29-22-11-12-32-27(3,4)16-22/h5-10,14-15,18,22H,11-13,16H2,1-4H3,(H2,28,30)(H,29,31)/t18-,22-/m1/s1","","2011-05-04","2011-08-26","(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide",""],["OWH","~{N}-methylpyridine-3-carbothioamide","C7 H8 N2 S","CNC(=S)c1cccnc1;CNC(=S)c1cccnc1","InChI=1S/C7H8N2S/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)","","2020-04-06","2020-07-10","~{N}-methylpyridine-3-carbothioamide","2020-07-15"],["3RT","N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine","C24 H29 N7 O2","n6c(NC1CCOCC1)c5ccc(Nc2nc3cccc(n3n2)CC4CCOCC4)cc5n6;C1CC(CCO1)Cc2cccc3nc(Nc4ccc5c([nH]nc5NC6CCOCC6)c4)nn23;c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6","InChI=1S/C24H29N7O2/c1-2-19(14-16-6-10-32-11-7-16)31-22(3-1)27-24(30-31)26-18-4-5-20-21(15-18)28-29-23(20)25-17-8-12-33-13-9-17/h1-5,15-17H,6-14H2,(H,26,30)(H2,25,28,29)","","2014-10-15","2016-01-15","N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine","2016-01-20"],["OWI","4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline","C32 H48 N4 O4 S2","CN(C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4;Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)c3ccc(cc3)N(C)C)CC4CCCCC4","InChI=1S/C32H48N4O4S2/c1-27-12-16-31(17-13-27)41(37,38)35-22-8-20-34(26-29-10-6-5-7-11-29)21-9-23-36(25-28(2)24-35)42(39,40)32-18-14-30(15-19-32)33(3)4/h12-19,29H,2,5-11,20-26H2,1,3-4H3","","2022-09-27","2023-02-17","4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline","2023-02-22"],["OWJ","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one","C32 H32 N6 O3","COc4cc(cc([C@H]=[C@H]C(N1C(c2c(C=N1)cccc2)c3cc(cc(c3)C)C)=O)c4OC)Cc5cnc(N)nc5N;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3c5cc(C)cc(C)c5)c1OC;Cc1cc(cc(c1)C2c3ccccc3C=NN2C(=O)C=Cc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C","InChI=1S/C32H32N6O3/c1-19-11-20(2)13-24(12-19)29-26-8-6-5-7-23(26)18-36-38(29)28(39)10-9-22-14-21(16-27(40-3)30(22)41-4)15-25-17-35-32(34)37-31(25)33/h5-14,16-18,29H,15H2,1-4H3,(H4,33,34,35,37)/b10-9+/t29-/m0/s1","","2019-07-12","2020-06-12","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one","2020-06-17"],["3RU","3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide","C19 H25 N3 O","O=C(NCC1CCCCC1)CCc2cc3ccccc3nc2N;Nc1nc2ccccc2cc1CCC(=O)NCC3CCCCC3;c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3","InChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23)","","2011-05-05","2011-08-26","3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide",""],["3RV","5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid","C21 H13 F N2 O3 S","O=C(O)c1cc(F)ccc1NC2=NC(=O)C(S2)=Cc4c3ccccc3ccc4;OC(=O)c1cc(F)ccc1NC2=NC(=O)C(S2)=Cc3cccc4ccccc34;c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F","InChI=1S/C21H13FN2O3S/c22-14-8-9-17(16(11-14)20(26)27)23-21-24-19(25)18(28-21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,26,27)(H,23,24,25)/b18-10-","","2014-10-15","2015-11-06","5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid","2015-11-11"],["OWK","Metala-Carborane di-ethyl-sulfonamide","C8 H15 B18 Co N2 O4 S2","C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247[B-]38[B]679B%10[B]189[Co]5%10%11%12B%13[C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14%18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)(=O)=O;[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N","InChI=1S/2C4H8B9NO2S.Co/c1-4(2-3-17(14,15)16)9-6-12(9)8-5-7-10(4)11(9,12)13(7,8,10)12;14-17(15,16)2-1-4-3-10-8-7-6-11(4,7)9-12(10,5-4)13(8,9)10;/h1-3H2,(H2,14,15,16);3,6H,1-2H2,(H2,14,15,16);/q+2;;","","2020-04-06","2020-09-04","","2020-09-09"],["3RW","[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone","C21 H22 N8 O","O=C(c2c1c(ncnc1n(c2)C(C)C)N)c4nc(NCCc3cccnc3)cnc4;CC(C)n1cc(C(=O)c2cncc(NCCc3cccnc3)n2)c4c(N)ncnc14;CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4","InChI=1S/C21H22N8O/c1-13(2)29-11-15(18-20(22)26-12-27-21(18)29)19(30)16-9-24-10-17(28-16)25-7-5-14-4-3-6-23-8-14/h3-4,6,8-13H,5,7H2,1-2H3,(H,25,28)(H2,22,26,27)","","2011-05-11","2011-11-11","[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone",""],["OWL","N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine","C18 H17 N7","n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4;[nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)cc3)cc2;c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4","InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25)","","2009-01-13","2014-12-03","N-(1H-imidazol-2-yl)-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine",""],["3RX","N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine","C22 H38 N2","C(=CCCC(=CCNCCNC3C1CC2CC3CC(C1)C2)C)(C)C;CC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3;CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C","InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+/t18-,19+,20-,21+,22-","","2011-05-11","2012-04-20","N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine",""],["OWM","(2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one","C29 H32 N6 O5","c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3)cc(c(c4)OC)OC)C5CC5)N;COc1cc2C=NN([CH](C3CC3)c2cc1OC)C(=O)C=Cc4cc(Cc5cnc(N)nc5N)cc(OC)c4OC;COc1cc(cc(c1OC)C=CC(=O)N2C(c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N","InChI=1S/C29H32N6O5/c1-37-22-12-19-15-33-35(26(17-5-6-17)21(19)13-23(22)38-2)25(36)8-7-18-9-16(11-24(39-3)27(18)40-4)10-20-14-32-29(31)34-28(20)30/h7-9,11-15,17,26H,5-6,10H2,1-4H3,(H4,30,31,32,34)/b8-7+/t26-/m1/s1","","2019-07-12","2020-06-12","(2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one","2020-06-17"],["3RY","2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid","C21 H16 N2 O3 S","O=C(O)c1ccccc1NC2=NC(=O)C(=S2)Cc3cccc4c3cccc4;OC(=O)c1ccccc1NC2=NC(=O)C(=[SH]2)Cc3cccc4ccccc34;c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O","InChI=1S/C21H16N2O3S/c24-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)27-21(23-19)22-17-11-4-3-10-16(17)20(25)26/h1-11,27H,12H2,(H,25,26)(H,22,23,24)","","2014-10-15","2015-11-06","2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid","2015-11-11"],["OWN","methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate","C17 H20 N2 O3","COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C;COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3","InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3","","2020-04-06","2024-09-27","methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate","2020-07-22"],["3RZ","4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide","C13 H12 N6 O","O=C(c2c1nc(nc(N)c1ccc2)C)Nc3nncc3;Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1;Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N","InChI=1S/C13H12N6O/c1-7-16-11-8(12(14)17-7)3-2-4-9(11)13(20)18-10-5-6-15-19-10/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19,20)","","2010-12-07","2011-06-04","4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide",""],["OWO","7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine","C18 H16 F N5","Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c34;Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4","InChI=1S/C18H16FN5/c1-10-15(11(2)24(3)23-10)14-6-4-5-12(16(14)19)13-7-8-20-18-17(13)21-9-22-18/h4-9H,1-3H3,(H,20,21,22)","","2023-02-17","2023-09-29","7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine","2023-10-04"],["3S0","(2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H18 N4 O9 S","O=C(O)C(NC(=O)C(=NOC)/c1occc1)C2N=C(C(=O)O)C(COC(=O)N)CS2;CON=C(C(=O)N[CH]([CH]1SC[CH](COC(N)=O)C(=N1)C(O)=O)C(O)=O)c2occc2;CON=C(c1ccco1)C(=O)NC(C2N=C(C(CS2)COC(=O)N)C(=O)O)C(=O)O","InChI=1S/C16H18N4O9S/c1-27-20-10(8-3-2-4-28-8)12(21)18-11(15(24)25)13-19-9(14(22)23)7(6-30-13)5-29-16(17)26/h2-4,7,11,13H,5-6H2,1H3,(H2,17,26)(H,18,21)(H,22,23)(H,24,25)/b20-10-/t7-,11-,13+/m0/s1","","2014-10-15","2014-11-14","(2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2014-11-19"],["OWP","(2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one","C31 H32 N6 O3","c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)C=CC(N3C(c4ccccc4CN3)Cc5ccccc5)=O)N;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3NCc4ccccc4[CH]3Cc5ccccc5)c1OC;COc1cc(cc(c1OC)C=CC(=O)N2C(c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N","InChI=1S/C31H32N6O3/c1-39-27-17-21(15-24-18-34-31(33)36-30(24)32)14-22(29(27)40-2)12-13-28(38)37-26(16-20-8-4-3-5-9-20)25-11-7-6-10-23(25)19-35-37/h3-14,17-18,26,35H,15-16,19H2,1-2H3,(H4,32,33,34,36)/b13-12+/t26-/m0/s1","","2019-07-12","2020-06-12","(2E)-1-[(1S)-1-benzyl-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one","2020-06-17"],["3S1","6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one","C16 H13 N O2","O=C2c3ccc(c1ccccc1CO)cc3C=CN2;OCc1ccccc1c2ccc3C(=O)NC=Cc3c2;c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O","InChI=1S/C16H13NO2/c18-10-13-3-1-2-4-14(13)11-5-6-15-12(9-11)7-8-17-16(15)19/h1-9,18H,10H2,(H,17,19)","","2011-06-15","2011-10-21","6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one",""],["OWQ","3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine","C20 H20 N8 O","COc1ccc(cc1)n2nnc3cnc(N[CH]4CCN(C4)c5ccncc5)nc23;COc1ccc(cc1)n2c3c(cnc(n3)NC4CCN(C4)c5ccncc5)nn2","InChI=1S/C20H20N8O/c1-29-17-4-2-16(3-5-17)28-19-18(25-26-28)12-22-20(24-19)23-14-8-11-27(13-14)15-6-9-21-10-7-15/h2-7,9-10,12,14H,8,11,13H2,1H3,(H,22,23,24)/t14-/m1/s1","","2020-04-06","2020-09-18","3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine","2020-09-23"],["3S2","[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid","C11 H22 N4 O5 S","O=C(NCCCCNC)N1C(C=O)C(NS(=O)(=O)O)CC1;CNCCCCNC(=O)N1CC[CH](N[S](O)(=O)=O)[CH]1C=O;CNCCCCNC(=O)N1CCC(C1C=O)NS(=O)(=O)O","InChI=1S/C11H22N4O5S/c1-12-5-2-3-6-13-11(17)15-7-4-9(10(15)8-16)14-21(18,19)20/h8-10,12,14H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t9-,10-/m1/s1","","2011-05-17","2024-09-27","[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid",""],["OWR","1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole","C16 H17 N2 O6 P","O=P(O)(O)OCC1OC(CC1O)n1cnc2cc3ccccc3cc21;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cc4ccccc4cc23;c1ccc2cc3c(cc2c1)ncn3C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C16H17N2O6P/c19-14-7-16(24-15(14)8-23-25(20,21)22)18-9-17-12-5-10-3-1-2-4-11(10)6-13(12)18/h1-6,9,14-16,19H,7-8H2,(H2,20,21,22)/t14-,15+,16+/m0/s1","","2022-05-18","2022-08-26","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-naphtho[2,3-d]imidazole","2022-08-31"],["3S3","(1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium","C16 H20 N3 O5 S","O=C(O)C(NC(=O)C(c1ccccc1)[NH3+])C2N=C(C(=O)O)C(C)CS2;C[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)[CH]([NH3+])c2ccccc2)C(O)=O;CC1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)C(c2ccccc2)[NH3+]","InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,8,10,12,14H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/p+1/t8-,10-,12+,14-/m1/s1","","2014-10-15","2014-11-14","(1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium","2014-11-19"],["OWS","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(4-methylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one","C31 H30 N6 O3","C2(c1ccccc1C=NN2C([C@H]=[C@H]c3cc(cc(c3OC)OC)Cc4c(nc(N)nc4)N)=O)c5ccc(C)cc5;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3c5ccc(C)cc5)c1OC;Cc1ccc(cc1)C2c3ccccc3C=NN2C(=O)C=Cc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N","InChI=1S/C31H30N6O3/c1-19-8-10-21(11-9-19)28-25-7-5-4-6-23(25)18-35-37(28)27(38)13-12-22-14-20(16-26(39-2)29(22)40-3)15-24-17-34-31(33)36-30(24)32/h4-14,16-18,28H,15H2,1-3H3,(H4,32,33,34,36)/b13-12+/t28-/m0/s1","","2019-07-12","2020-06-12","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(4-methylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one","2020-06-17"],["3S4","(3R)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid","C6 H13 O7 P","O=P(OC(CCO)(C)CC(=O)O)(O)O;C[C](CCO)(CC(O)=O)O[P](O)(O)=O;CC(CCO)(CC(=O)O)OP(=O)(O)O","InChI=1S/C6H13O7P/c1-6(2-3-7,4-5(8)9)13-14(10,11)12/h7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)/t6-/m1/s1","","2014-10-15","2014-12-05","(3R)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid","2014-12-10"],["O","OXYGEN ATOM","O","O;[O];O","InChI=1S/H2O/h1H2","","1999-07-08","2024-09-27","water",""],["3S5","Taurocyamine","C3 H9 N3 O3 S","O=S(=O)(O)CCNC(=[N@H])N;NC(=N)NCC[S](O)(=O)=O;C(CS(=O)(=O)O)NC(=N)N","InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)","2-carbamimidamidoethanesulfonic acid","2014-10-16","2020-06-17","2-carbamimidamidoethanesulfonic acid","2015-04-15"],["OWT","~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide","C45 H55 F N10 O13","CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc(CNC(=O)[CH](CCCCNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)C(CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O","InChI=1S/C45H55FN10O13/c1-28(57)48-24-31-26-56(45(66)69-31)30-11-12-36(34(46)22-30)53-14-16-54(17-15-53)39(60)27-68-21-20-67-19-18-55-25-29(51-52-55)23-49-44(65)35(50-43(64)33-7-5-10-38(59)41(33)62)8-2-3-13-47-42(63)32-6-4-9-37(58)40(32)61/h4-7,9-12,22,25,31,35,58-59,61-62H,2-3,8,13-21,23-24,26-27H2,1H3,(H,47,63)(H,48,57)(H,49,65)(H,50,64)/t31?,35-/m0/s1","","2020-04-06","2021-01-15","~{N}-[(5~{S})-6-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide","2021-01-20"],["OWU","(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one","C27 H33 N13 O9 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CN[S](=O)(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNS(=O)(=O)CCNC(=O)C4)O)O)N)O)O)N","InChI=1S/C27H33N13O9S/c28-22-16-24(33-9-31-22)39(11-35-16)26-20(44)19(43)13(49-26)7-38-4-1-2-14-37-17-23(29)32-10-34-25(17)40(14)27-21(45)18(42)12(48-27)6-36-50(46,47)5-3-30-15(41)8-38/h9-13,18-21,26-27,36,42-45H,3-8H2,(H,30,41)(H2,28,31,33)(H2,29,32,34)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1","","2022-09-27","2023-01-06","(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one","2023-01-11"],["3S6","prop-2-en-1-yl beta-D-galactofuranoside","C9 H16 O6","O(C/C=C)C1OC(C(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH]1O;C=CCOC1C(C(C(O1)C(CO)O)O)O","InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1","prop-2-en-1-yl beta-D-galactoside; prop-2-en-1-yl D-galactoside; prop-2-en-1-yl galactoside","2014-10-16","2020-07-17","prop-2-en-1-yl beta-D-galactofuranoside","2015-07-01"],["3S9","benzyl (cyanomethyl)carbamate","C10 H10 N2 O2","N#CCNC(=O)OCc1ccccc1;O=C(NCC#N)OCc1ccccc1;c1ccc(cc1)COC(=O)NCC#N","InChI=1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13)","","2014-10-16","2015-07-17","benzyl (cyanomethyl)carbamate","2015-07-22"],["OWV","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one","C29 H36 N6 O3","c3(C=CC(N2C(c1ccccc1CN2)C(CC)CC)=O)cc(cc(c3OC)OC)Cc4c(nc(N)nc4)N;CCC(CC)[CH]1N(NCc2ccccc12)C(=O)C=Cc3cc(Cc4cnc(N)nc4N)cc(OC)c3OC;CCC(CC)C1c2ccccc2CNN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N","InChI=1S/C29H36N6O3/c1-5-19(6-2)26-23-10-8-7-9-21(23)17-33-35(26)25(36)12-11-20-13-18(15-24(37-3)27(20)38-4)14-22-16-32-29(31)34-28(22)30/h7-13,15-16,19,26,33H,5-6,14,17H2,1-4H3,(H4,30,31,32,34)/b12-11+/t26-/m0/s1","","2019-07-12","2020-06-12","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one","2020-06-17"],["3SA","ACARBOSE DERIVED TRISACCHARIDE","C19 H33 N O13","OC3C(OC2OC(C)C(NC1C=C(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]3C=C(CO)[CH](O)[CH](O)[CH]3O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)NC3C=C(C(C(C3O)O)O)CO","InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1","4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ERY\nTHRO-HEXOPYRANOSE","2004-09-15","2020-07-17","4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose",""],["OWW","3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide","C28 H26 F3 N3 O4","C[CH](C#Cc1cccc(c1)C(=O)NCC[CH](c2ccccc2)c3ccc(OC(F)(F)F)cc3)N(O)C(N)=O;CC(C#Cc1cccc(c1)C(=O)NCCC(c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O","InChI=1S/C28H26F3N3O4/c1-19(34(37)27(32)36)10-11-20-6-5-9-23(18-20)26(35)33-17-16-25(21-7-3-2-4-8-21)22-12-14-24(15-13-22)38-28(29,30)31/h2-9,12-15,18-19,25,37H,16-17H2,1H3,(H2,32,36)(H,33,35)/t19-,25+/m1/s1","","2020-04-06","2020-10-16","3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide","2020-10-21"],["3SB","(2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide","C16 H17 N3 O3","O=C(N/N=C/c1c(cc(O)cc1O)C)C(c2ccccc2)N;Cc1cc(O)cc(O)c1C=NNC(=O)[CH](N)c2ccccc2;Cc1cc(cc(c1C=NNC(=O)C(c2ccccc2)N)O)O","InChI=1S/C16H17N3O3/c1-10-7-12(20)8-14(21)13(10)9-18-19-16(22)15(17)11-5-3-2-4-6-11/h2-9,15,20-21H,17H2,1H3,(H,19,22)/b18-9+/t15-/m0/s1","","2010-09-30","2011-09-23","(2S)-2-amino-N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide",""],["OWX","2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide","C16 H16 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2NCCCc12;Clc1cccc(CC(=O)Nc2cncc3NCCCc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCN3","InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1,3-4,7,9-10,19H,2,5-6,8H2,(H,20,21)","","2023-08-18","2023-11-03","2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide","2023-11-08"],["OWY","4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide","C31 H39 N3 O2","CCN(CC)C(c1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4ccccc4)C)=O;CCN(CC)C(=O)c1ccc(cc1)[CH](N2C[CH](C)N(C[CH]2C)Cc3ccccc3)c4cccc(O)c4;CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)O)N3CC(N(CC3C)Cc4ccccc4)C","InChI=1S/C31H39N3O2/c1-5-32(6-2)31(36)27-17-15-26(16-18-27)30(28-13-10-14-29(35)19-28)34-21-23(3)33(20-24(34)4)22-25-11-8-7-9-12-25/h7-19,23-24,30,35H,5-6,20-22H2,1-4H3/t23-,24+,30-/m1/s1","","2019-07-15","2019-12-06","4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide","2019-12-11"],["3SC","5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine","C19 H12 Cl2 N6 S","Clc4cccc(c1nc3c(SC#N)cnn3c(c1)NCc2ccncc2)c4Cl;Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4ncc(SC#N)c4n2;c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4","InChI=1S/C19H12Cl2N6S/c20-14-3-1-2-13(18(14)21)15-8-17(24-9-12-4-6-23-7-5-12)27-19(26-15)16(10-25-27)28-11-22/h1-8,10,24H,9H2","","2007-09-20","2011-06-04","5-(2,3-dichlorophenyl)-7-[(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl thiocyanate",""],["3SD","N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide","C32 H41 N5 O5","O=C(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C)CCc2ccccc2)CC(=O)NCC(C)(C)C)c3noc(c3)C;Cc1onc(c1)C(=O)N[CH](CC(=O)NCC(C)(C)C)C(=O)N[CH](CCc2ccccc2)C(=O)NCc3ccc(C)cc3;Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C","InChI=1S/C32H41N5O5/c1-21-11-13-24(14-12-21)19-33-29(39)25(16-15-23-9-7-6-8-10-23)35-30(40)26(18-28(38)34-20-32(3,4)5)36-31(41)27-17-22(2)42-37-27/h6-14,17,25-26H,15-16,18-20H2,1-5H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)/t25-,26-/m0/s1","","2011-06-15","2012-06-08","N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide",""],["OWZ","(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine","C11 H14 Cl N O","C[CH]1CO[CH](CN1)c2ccccc2Cl;CC1COC(CN1)c2ccccc2Cl","InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1","","2020-04-06","2020-07-10","(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine","2020-07-15"],["3SE","4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one","C14 H15 F3 N4 O2 S","FC(F)(F)CCC(=O)N3CCC(c1onc(n1)c2nccs2)CC3;FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3sccn3;c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F","InChI=1S/C14H15F3N4O2S/c15-14(16,17)4-1-10(22)21-6-2-9(3-7-21)12-19-11(20-23-12)13-18-5-8-24-13/h5,8-9H,1-4,6-7H2","","2011-07-20","2011-12-02","4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",""],["OX","BOUND OXYGEN","O","O;[O];O","InChI=1/H2O/h1H2","","1999-07-08","2008-10-14","water",""],["3SF","5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one","C15 H17 F3 N4 O2 S","FC(F)(F)CCCC(=O)N3CCC(c1onc(n1)c2nccs2)CC3;FC(F)(F)CCCC(=O)N1CCC(CC1)c2onc(n2)c3sccn3;c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F","InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2","","2011-06-16","2011-12-02","5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one",""],["OX0","(10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one","C25 H23 Cl N4 O","Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#C)c3)CC=2C1=O;Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#C)C3)N5CCN=C25)cc1;C#Cc1cccc(c1)CN2CCC3=C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl","InChI=1S/C25H23ClN4O/c1-2-18-4-3-5-20(14-18)15-28-12-10-23-22(17-28)24(31)30(25-27-11-13-29(23)25)16-19-6-8-21(26)9-7-19/h1,3-9,14H,10-13,15-17H2","","2022-05-18","2023-01-06","(10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one","2023-01-11"],["3SG","methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate","C28 H22 F2 N4 O4","Fc4c(NC(=O)c3ccc(c(c2cccc(C(=O)Nc1cc(C(=O)OC)ccc1F)c2)c3)CN)ccnc4;COC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)c1;COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F","InChI=1S/C28H22F2N4O4/c1-38-28(37)19-7-8-22(29)25(13-19)34-26(35)17-4-2-3-16(11-17)21-12-18(5-6-20(21)14-31)27(36)33-24-9-10-32-15-23(24)30/h2-13,15H,14,31H2,1H3,(H,34,35)(H,32,33,36)","","2014-10-17","2015-05-01","methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate","2015-05-06"],["OX1","[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE","C18 H16 O4","O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C;C[C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24;CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O","InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+","","2002-06-17","2011-06-04","3-(10-methyl-9,10-epidioxyanthracen-9(10H)-yl)propanoic acid",""],["3SH","ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate","C19 H17 Cl N2 O2 S","c1(cc(c(cc1)C)Cl)Nc2sc(C(OCC)=O)c(n2)c3ccccc3;CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1c3ccccc3;CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3","InChI=1S/C19H17ClN2O2S/c1-3-24-18(23)17-16(13-7-5-4-6-8-13)22-19(25-17)21-14-10-9-12(2)15(20)11-14/h4-11H,3H2,1-2H3,(H,21,22)","","2014-10-17","2015-10-30","ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate","2015-11-04"],["OX2","(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol","C9 H14 N2 O6","OC1C(O)C(O)C(OC1CO)c2nnc(o2)C;Cc1oc(nn1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;Cc1nnc(o1)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1","2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE","2004-10-05","2020-07-17","(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol",""],["OX3","4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME","C14 H17 N O3","O=C(ON=Cc1ccc(O)cc1)C2CCCCC2;Oc1ccc(cc1)C=NOC(=O)C2CCCCC2;c1cc(ccc1C=NOC(=O)C2CCCCC2)O","InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+","","2007-02-22","2011-06-04","4-hydroxybenzaldehyde O-(cyclohexylcarbonyl)oxime",""],["3SJ","1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one","C26 H22 N4 O2","O=C5C=CC(c1cn(nc1COc4ccc(c2nc3c(cc2)cccc3)cc4)C)=CN5C;Cn1cc(c(COc2ccc(cc2)c3ccc4ccccc4n3)n1)C5=CN(C)C(=O)C=C5;Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C","InChI=1S/C26H22N4O2/c1-29-15-20(10-14-26(29)31)22-16-30(2)28-25(22)17-32-21-11-7-19(8-12-21)24-13-9-18-5-3-4-6-23(18)27-24/h3-16H,17H2,1-2H3","","2014-10-17","2014-12-26","1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one","2014-12-31"],["3SK","2-methylbenzoic acid","C8 H8 O2","O=C(O)c1ccccc1C;Cc1ccccc1C(O)=O;Cc1ccccc1C(=O)O","InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)","","2014-10-17","2015-09-25","2-methylbenzoic acid","2015-09-30"],["OX4","3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME","C14 H16 F N O3","O=C(ON=Cc1ccc(O)c(F)c1)C2CCCCC2;Oc1ccc(C=NOC(=O)C2CCCCC2)cc1F;c1cc(c(cc1C=NOC(=O)C2CCCCC2)F)O","InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+","","2007-02-22","2011-06-04","3-fluoro-4-hydroxybenzaldehyde O-(cyclohexylcarbonyl)oxime",""],["3SL","(2R)-3-SULFOLACTIC ACID","C3 H6 O6 S","O=C(O)C(O)CS(=O)(=O)O;O[CH](C[S](O)(=O)=O)C(O)=O;C(C(C(=O)O)O)S(=O)(=O)O","InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1","(R)-2-HYDROXY-3-SULFOPROPANOIC ACID","2005-01-31","2020-06-17","(2R)-2-hydroxy-3-sulfopropanoic acid",""],["OX5","4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME","C13 H17 N O3","O=C(ON=Cc1ccc(O)cc1)CC(C)(C)C;CC(C)(C)CC(=O)ON=Cc1ccc(O)cc1;CC(C)(C)CC(=O)ON=Cc1ccc(cc1)O","InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+","","2007-02-27","2011-06-04","4-hydroxybenzaldehyde O-(3,3-dimethylbutanoyl)oxime",""],["3SM","2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide","C19 H21 N7 O2","O=C(NCc4nc(c3nc2nc(c1ncn(c1c2c3)C)NC)ccc4)COC;CNc1nc2[nH]c(cc2c3n(C)cnc13)c4cccc(CNC(=O)COC)n4;CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C","InChI=1S/C19H21N7O2/c1-20-19-16-17(26(2)10-22-16)12-7-14(24-18(12)25-19)13-6-4-5-11(23-13)8-21-15(27)9-28-3/h4-7,10H,8-9H2,1-3H3,(H,21,27)(H2,20,24,25)","","2014-10-17","2015-03-13","2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide","2015-03-18"],["OX6","TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE","C11 H19 N3 O3","O=C(OC(C)(C)C)NC(c1nnco1)C(C)C;CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1;CC(C)C(c1nnco1)NC(=O)OC(C)(C)C","InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1","","2007-05-22","2024-09-27","tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate",""],["3SN","N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide","C23 H28 F N3 O3 S","O=C(N4CCN(c1ccc(c(F)c1)CN(C2CCC2)S(=O)(=O)c3ccccc3)CC4)C;CC(=O)N1CCN(CC1)c2ccc(CN(C3CCC3)[S](=O)(=O)c4ccccc4)c(F)c2;CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4","InChI=1S/C23H28FN3O3S/c1-18(28)25-12-14-26(15-13-25)21-11-10-19(23(24)16-21)17-27(20-6-5-7-20)31(29,30)22-8-3-2-4-9-22/h2-4,8-11,16,20H,5-7,12-15,17H2,1H3","","2014-10-20","2015-01-09","N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide","2015-01-14"],["OX7","TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE","C11 H19 N3 O3","O=C(OC(C)(C)C)NC(c1nnco1)C(C)C;CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1;CC(C)C(c1nnco1)NC(=O)OC(C)(C)C","InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1","","2007-05-22","2024-09-27","tert-butyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate",""],["3SO","{5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate","C19 H19 N2 O6 P","O=P(O)(O)OCc1cnc(c(O)c1C=CC(=O)Cc3c2ccccc2nc3)C;Cc1ncc(CO[P](O)(O)=O)c(C=CC(=O)Cc2c[nH]c3ccccc23)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=O)Cc2c[nH]c3c2cccc3)O","InChI=1S/C19H19N2O6P/c1-12-19(23)17(14(10-20-12)11-27-28(24,25)26)7-6-15(22)8-13-9-21-18-5-3-2-4-16(13)18/h2-7,9-10,21,23H,8,11H2,1H3,(H2,24,25,26)/b7-6+","","2014-10-20","2014-10-24","{5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate","2014-10-29"],["OX8","1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone","C18 H32 N4 O6","ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O;C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O","InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)","","2022-09-27","2023-04-21","1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone","2023-04-26"],["OX9","~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide","C19 H11 Cl2 I2 N O3","Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2;c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O)I)I)Cl","InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)","rafoxanide","2023-02-24","2023-08-11","~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide","2023-08-16"],["3SP","N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE","C22 H33 N5 O4 S","O=C(NCc1sc(cc1)C(=[N@H])N)C3N(C(=O)C(NCC(=O)O)CC2CCCCC2)CCC3;NC(=N)c1sc(CNC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)NCC(O)=O)cc1;c1cc(sc1CNC(=O)C2CCCN2C(=O)C(CC3CCCCC3)NCC(=O)O)C(=N)N","InChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1","","2006-01-06","2012-01-05","N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(5-carbamimidoylthiophen-2-yl)methyl]-L-prolinamide",""],["3SQ","4-(4-fluorophenyl)-1H-imidazole","C9 H7 F N2","Fc2ccc(c1ncnc1)cc2;Fc1ccc(cc1)c2c[nH]cn2;c1cc(ccc1c2c[nH]cn2)F","InChI=1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)","","2014-10-20","2015-02-13","4-(4-fluorophenyl)-1H-imidazole","2015-02-18"],["OXA","OXYDIMETHYLENE GROUP","C2 H5 O","OCC;CC[O];CC[O]","InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3","","1999-07-08","2008-10-14","ethanol",""],["3SR","8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione","C22 H30 N6 O4","O=C(N3CCN(Cc2nc1N(C(=O)N(C(=O)c1n2CCC(C)C)C)C)CC3)c4occc4;CC(C)CCn1c(CN2CCN(CC2)C(=O)c3occc3)nc4N(C)C(=O)N(C)C(=O)c14;CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4","InChI=1S/C22H30N6O4/c1-15(2)7-8-28-17(23-19-18(28)21(30)25(4)22(31)24(19)3)14-26-9-11-27(12-10-26)20(29)16-6-5-13-32-16/h5-6,13,15H,7-12,14H2,1-4H3","","2014-10-20","2015-02-06","8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione","2015-02-11"],["OXB","3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide","C16 H26 N2 O3 S","C[CH]1CO[CH](CN1CCC[S](N)(=O)=O)c2cc(C)ccc2C;Cc1ccc(c(c1)C2CN(C(CO2)C)CCCS(=O)(=O)N)C","InChI=1S/C16H26N2O3S/c1-12-5-6-13(2)15(9-12)16-10-18(14(3)11-21-16)7-4-8-22(17,19)20/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3,(H2,17,19,20)/t14-,16-/m0/s1","","2020-04-07","2020-07-10","3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide","2020-07-15"],["3SS","3-disulfanylpropanoic acid","C3 H6 O2 S2","O=C(O)CCSS;OC(=O)CCSS;C(CSS)C(=O)O","InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)","","2013-06-12","2013-10-18","3-disulfanylpropanoic acid","2013-10-23"],["OXC","OXONIC ACID","C4 H5 N3 O4","O=C1NC(C(=O)O)NC(=O)N1;OC(=O)C1NC(=O)NC(=O)N1;C1(NC(=O)NC(=O)N1)C(=O)O","InChI=1S/C4H5N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h1H,(H,8,9)(H3,5,6,7,10,11)","","2003-10-10","2011-06-04","4,6-dioxo-1,3,5-triazinane-2-carboxylic acid",""],["OXD","OXALIC ACID","C2 H2 O4","O=C(O)C(=O)O;OC(=O)C(O)=O;C(=O)(C(=O)O)O","InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)","","2003-06-20","2024-09-27","ethanedioic acid",""],["3ST","1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide","C19 H30 N6 O3","O=C2N(c1nc(n(c1C(=O)N2C)CCC(C)C)CN3CCC(C(=O)N)CC3)C;CC(C)CCn1c(CN2CCC(CC2)C(N)=O)nc3N(C)C(=O)N(C)C(=O)c13;CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N","InChI=1S/C19H30N6O3/c1-12(2)5-10-25-14(11-24-8-6-13(7-9-24)16(20)26)21-17-15(25)18(27)23(4)19(28)22(17)3/h12-13H,5-11H2,1-4H3,(H2,20,26)","","2014-10-21","2015-02-06","1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide","2015-02-11"],["3SU","(2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid","C11 H8 Br N O2 S","O=C(O)C(S)=Cc2c1ccc(Br)cc1nc2;OC(=O)C(S)=Cc1c[nH]c2cc(Br)ccc12;c1cc2c(cc1Br)[nH]cc2C=C(C(=O)O)S","InChI=1S/C11H8BrNO2S/c12-7-1-2-8-6(3-10(16)11(14)15)5-13-9(8)4-7/h1-5,13,16H,(H,14,15)/b10-3-","","2014-10-21","2015-08-28","(2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid","2015-09-02"],["OXE","ORTHO-XYLENE","C8 H10","c1cccc(c1C)C;Cc1ccccc1C;Cc1ccccc1C","InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3","","1999-07-08","2024-09-27","1,2-dimethylbenzene",""],["3SV","(3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid","C23 H40 O2","O=C(O)CC(C)CCCC(C=C1C(=C(CC)CCC1)CCC(C)C)C;CCC1=C(CCC(C)C)C(CCC1)=C[CH](C)CCC[CH](C)CC(O)=O;CCC1=C(C(=CC(C)CCCC(C)CC(=O)O)CCC1)CCC(C)C","InChI=1S/C23H40O2/c1-6-20-11-8-12-21(22(20)14-13-17(2)3)15-18(4)9-7-10-19(5)16-23(24)25/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)/b21-15+/t18-,19-/m0/s1","","2014-10-21","2015-09-11","(3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid","2015-09-16"],["OXF","2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol","C21 H28 N2 O3","OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2;c1ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO","InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2","ZK-756326","2023-08-24","2024-02-02","2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol","2024-02-07"],["3SW","(2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid","C24 H34 O2","O=C(O)C=C(C=CC=C(/C=C1/C(=C(CCC1)C2CC2)CCC(C)C)C)C;CC(C)CCC1=C(CCCC1=CC(C)=CC=CC(C)=CC(O)=O)C2CC2;CC(C)CCC1=C(CCCC1=CC(=CC=CC(=CC(=O)O)C)C)C2CC2","InChI=1S/C24H34O2/c1-17(2)11-14-23-21(9-6-10-22(23)20-12-13-20)15-18(3)7-5-8-19(4)16-24(25)26/h5,7-8,15-17,20H,6,9-14H2,1-4H3,(H,25,26)/b8-5+,18-7-,19-16+,21-15+","","2014-10-21","2015-09-18","(2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid","2015-09-23"],["OXG","8-OXOGUANINE","C5 H3 N5 O2","O=C1C2=NC(=O)N=C2N=C(N1)N;NC1=NC2=NC(=O)N=C2C(=O)N1;C12=NC(=O)N=C1N=C(NC2=O)N","InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)","","2001-01-10","2011-06-04","2-amino-1H-purine-6,8-dione",""],["3SX","N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide","C24 H33 N3 O3 S","O=C(N3CCN(c1ccc(cc1)CN(CC(C)C)S(=O)(=O)Cc2ccccc2)CC3)C;CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(C)=O)[S](=O)(=O)Cc3ccccc3;CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3","InChI=1S/C24H33N3O3S/c1-20(2)17-27(31(29,30)19-23-7-5-4-6-8-23)18-22-9-11-24(12-10-22)26-15-13-25(14-16-26)21(3)28/h4-12,20H,13-19H2,1-3H3","","2014-10-22","2015-01-09","N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide","2015-01-14"],["OXI","OXOLINIC ACID","C13 H11 N O5","O=C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3;CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12;CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O","InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)","","2002-01-14","2011-06-04","5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",""],["3SY","2,2-bis(hydroxymethyl)propane-1,3-diol","C5 H12 O4","OCC(CO)(CO)CO;OCC(CO)(CO)CO;C(C(CO)(CO)CO)O","InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2","","2014-10-22","2014-11-14","2,2-bis(hydroxymethyl)propane-1,3-diol","2014-11-19"],["OXJ","1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine","C10 H9 F6 N","CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F;CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F;CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F","InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3","","2019-07-15","2024-09-27","1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine","2019-12-11"],["OXK","OXALYL-COENZYME A","C23 H36 N7 O19 P3 S","O=C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O","InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16+,20-/m1/s1","","2007-02-26","2011-06-04","(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name)",""],["3SZ","3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline","C19 H23 N3 O6 S2","O=S(=O)(c1cc(N)ccc1)N2CCCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3;Nc1cccc(c1)[S](=O)(=O)N2CCCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3;c1cc(cc(c1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N","InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2","","2010-04-19","2011-06-04","3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline",""],["OXL","OXALATE ION","C2 O4","[O-]C(=O)C([O-])=O;[O-]C(=O)C([O-])=O;C(=O)(C(=O)[O-])[O-]","InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2","","1999-07-08","2011-06-04","ethanedioate",""],["3T0","(5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione","C19 H16 Br N O3 S","O=C1S/C(C(=O)N1Cc2ccc(cc2)C)=Cc3cc(Br)ccc3OC;COc1ccc(Br)cc1C=C2SC(=O)N(Cc3ccc(C)cc3)C2=O;Cc1ccc(cc1)CN2C(=O)C(=Cc3cc(ccc3OC)Br)SC2=O","InChI=1S/C19H16BrNO3S/c1-12-3-5-13(6-4-12)11-21-18(22)17(25-19(21)23)10-14-9-15(20)7-8-16(14)24-2/h3-10H,11H2,1-2H3/b17-10-","","2011-08-04","2012-05-18","(5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione",""],["3T1","(3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one","C26 H23 Cl N2 O3","Clc1c(O)c(OC)cc(c1)C5Nc2ccccc2NC4=C5C(=O)CC(c3ccccc3)C4;COc1cc(cc(Cl)c1O)[CH]2Nc3ccccc3NC4=C2C(=O)C[CH](C4)c5ccccc5;COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2","InChI=1S/C26H23ClN2O3/c1-32-23-14-17(11-18(27)26(23)31)25-24-21(28-19-9-5-6-10-20(19)29-25)12-16(13-22(24)30)15-7-3-2-4-8-15/h2-11,14,16,25,28-29,31H,12-13H2,1H3/t16-,25-/m0/s1","","2011-08-01","2012-08-17","(3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one",""],["OXM","OXAMIC ACID","C2 H3 N O3","O=C(N)C(=O)O;NC(=O)C(O)=O;C(=O)(C(=O)O)N","InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)","","1999-07-08","2011-06-04","amino(oxo)acetic acid",""],["OXN","OXTOXYNOL-10","C34 H62 O11","O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1;CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3","ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL); TRITON X-100","2001-05-14","2020-06-17","29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol",""],["3T2","(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid","C24 H36 O2","O=C(O)C=C(C=CC=C(/C=C1/C(=C(C(C)C)CCC1)CCC(C)C)C)C;CC(C)CCC1=C(CCCC1=CC(C)=CC=CC(C)=CC(O)=O)C(C)C;CC(C)CCC1=C(CCCC1=CC(=CC=CC(=CC(=O)O)C)C)C(C)C","InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+","","2014-10-22","2015-09-11","(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid","2015-09-16"],["3T3","[(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium","C24 H22 F N4 O3 Ru S4","O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(O)ccc4n5[Ru]798(NCS)S6CCS8CCS7CC6;N(|[Ru]|1|23(|S4CCS|1CCS|2CC4)|n5cc(F)cc6c5c7n3c8ccc(O)cc8c7c9C(=O)NC(=O)c69)CS;c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS","InChI=1S/C17H8FN3O3.C6H12S3.CH4NS.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6;1-2-8-5-6-9-4-3-7-1;2-1-3;/h1-5H,(H3,19,20,21,22,23,24);1-6H2;2-3H,1H2;/q;;-1;+2/p-1","(3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(1,4,7-trithiacyclodecan)ruthenium(II)-isothiocyanate; EM5","2014-12-21","2021-03-13","[(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium","2015-01-21"],["OXO","OXO GROUP","O","O;[O];O","InChI=1/H2O/h1H2","","1999-07-08","2008-10-14","water",""],["3T4","{5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid","C17 H12 Cl N3 O6","O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(C#N)c([N+]([O-])=O)c2;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(C#N)c(c2)[N+]([O-])=O;c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N","InChI=1S/C17H12ClN3O6/c18-12-3-4-13(15(6-12)27-9-16(22)23)17(24)20-8-10-1-2-11(7-19)14(5-10)21(25)26/h1-6H,8-9H2,(H,20,24)(H,22,23)","","2011-08-03","2011-09-30","{5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid",""],["OXP","2-OXO-3-PENTENOIC ACID","C5 H6 O3","O=C(C=C/C)C(=O)O;CC=CC(=O)C(O)=O;CC=CC(=O)C(=O)O","InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-","","1999-07-08","2024-09-27","(3Z)-2-oxopent-3-enoic acid",""],["OXQ","4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID","C3 H2 N2 O4","O=C(O)c1nonc1O;OC(=O)c1nonc1O;c1(c(non1)O)C(=O)O","InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)","","2004-04-23","2011-06-04","4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid",""],["3T5","(11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate","C22 H30 F O8 P","O=P(O)(O)OCC(=O)C4(O)C3(C(C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)C3)CC4C)C;C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO[P](O)(O)=O;CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C","InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1","Dexamethasone 21-phosphate","2011-08-15","2021-03-01","(11alpha,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate",""],["3T7","2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole","C20 H24 N10 O7 S2","O=S(=O)(c1nnc(s1)N(Cc2nnn(c2)C3OC(CO)C(O)C(O)C3O)Cc5nnn(c4ccccc4)c5)N;N[S](=O)(=O)c1sc(nn1)N(Cc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)Cc4cn(nn4)c5ccccc5;c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)C4C(C(C(C(O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N","InChI=1S/C20H24N10O7S2/c21-39(35,36)20-25-24-19(38-20)28(6-11-8-29(26-22-11)13-4-2-1-3-5-13)7-12-9-30(27-23-12)18-17(34)16(33)15(32)14(10-31)37-18/h1-5,8-9,14-18,31-34H,6-7,10H2,(H2,21,35,36)/t14-,15-,16+,17-,18-/m1/s1","","2014-10-23","2015-01-23","2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole","2015-01-28"],["OXR","4-OXORETINOL","C20 H28 O2","O=C1C(=C(C=CC(=CC=CC(=CCO)C)C)C(C)(C)CC1)C;CC(=CCO)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C;CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CCO)C)C","InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+","","2004-08-27","2011-06-04","4-oxoretinol",""],["OXS","2-OXALOSUCCINIC ACID","C6 H6 O7","O=C(O)CC(C(=O)C(=O)O)C(=O)O;OC(=O)C[CH](C(O)=O)C(=O)C(O)=O;C(C(C(=O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1","","1999-07-08","2011-06-04","(2S)-1-oxopropane-1,2,3-tricarboxylic acid",""],["3T8","N~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide","C28 H29 Cl N4 O4 S","O=C(N1CCN(C)CC1)c2ccc(c(Cl)c2)N(C(=O)c4sc3c5ccc(C(=O)NC)cc5OCCc3c4)C;CNC(=O)c1ccc2c(OCCc3cc(sc23)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(C)CC5)c1;CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C","InChI=1S/C28H29ClN4O4S/c1-30-26(34)18-4-6-20-23(15-18)37-13-8-17-16-24(38-25(17)20)28(36)32(3)22-7-5-19(14-21(22)29)27(35)33-11-9-31(2)10-12-33/h4-7,14-16H,8-13H2,1-3H3,(H,30,34)","","2011-08-08","2011-11-11","N~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide",""],["3T9","2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol","C19 H15 N3 O2","n2c(ccc3c(c1ccccc1)nnc23)c4ccc(O)c(OC)c4;COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4;COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4","InChI=1S/C19H15N3O2/c1-24-17-11-13(7-10-16(17)23)15-9-8-14-18(21-22-19(14)20-15)12-5-3-2-4-6-12/h2-11,23H,1H3,(H,20,21,22)","","2011-08-11","2011-10-07","2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol",""],["OXT","3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM","C34 H55 N11 O24 P5 S2","O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(O)c2sc(c([n+]2Cc3cnc(nc3N)C)C)CCOP(=O)(O)OP(=O)(O)O)n4c5ncnc(N)c5nc4;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C34H54N11O24P5S2/c1-17-21(6-9-63-72(57,58)68-71(54,55)56)76-32(44(17)12-19-11-39-18(2)43-27(19)35)33(50)75-10-8-37-22(46)5-7-38-30(49)26(48)34(3,4)14-65-74(61,62)69-73(59,60)64-13-20-25(67-70(51,52)53)24(47)31(66-20)45-16-42-23-28(36)40-15-41-29(23)45/h11,15-16,20,24-26,31,33,47-48,50H,5-10,12-14H2,1-4H3,(H12-,35,36,37,38,39,40,41,43,46,49,51,52,53,54,55,56,57,58,59,60,61,62)/p+1/t20-,24-,25-,26+,31-,33-/m1/s1","","2007-02-26","2011-06-04","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium (non-preferred name)",""],["3TA","9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi\none","C23 H25 Cl N6 S","Clc4cc2c(c1nc(ncc1CC(=S)N2)Nc3cc(cnc3C)CCCN(C)C)cc4;CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4c3n2)c1;Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl","InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29)","MLN0905","2011-08-26","2020-06-17","9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione",""],["OXU","2-bromanylethanamine","C2 H6 Br N","NCCBr;C(CBr)N","InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2","","2023-08-22","2024-09-27","2-bromanylethanamine","2023-09-27"],["3TB","N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide","C24 H38 N7 O7 P","O=C(NC(C(=O)N)CCCNC(=[N@H])N)C2C(=C/C(NC(=O)C(N)Cc1ccccc1)COP(=O)(O)O)/CCC2;N[CH](Cc1ccccc1)C(=O)N[CH](CO[P](O)(O)=O)C=C2CCC[CH]2C(=O)N[CH](CCCNC(N)=N)C(N)=O;c1ccc(cc1)CC(C(=O)NC(COP(=O)(O)O)C=C2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)N)N","InChI=1S/C24H38N7O7P/c25-19(12-15-6-2-1-3-7-15)23(34)30-17(14-38-39(35,36)37)13-16-8-4-9-18(16)22(33)31-20(21(26)32)10-5-11-29-24(27)28/h1-3,6-7,13,17-20H,4-5,8-12,14,25H2,(H2,26,32)(H,30,34)(H,31,33)(H4,27,28,29)(H2,35,36,37)/b16-13+/t17-,18-,19+,20+/m1/s1","","2011-08-23","2012-06-22","N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide",""],["OXV","~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide","C33 H44 N4 O5 S","CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n]1c(Cc2cc[n](C)c3ccccc23)sc4ccccc14;CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C","InChI=1S/C33H44N4O5S/c1-3-4-13-31(38)34-15-18-40-20-22-42-23-21-41-19-16-35-32(39)25-37-29-11-7-8-12-30(29)43-33(37)24-26-14-17-36(2)28-10-6-5-9-27(26)28/h5-12,14,17H,3-4,13,15-16,18-25H2,1-2H3,(H,34,38)(H,35,39)","","2019-07-15","2019-07-26","~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide","2019-07-31"],["3TC","4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE","C8 H11 N3 O3 S","O=C1N=C(N)C=CN1C2OC(SC2)CO;NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO)O2;C1C(OC(S1)CO)N2C=CC(=NC2=O)N","InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1","(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; LAMIVUDINE; EPIVIR","2006-10-26","2020-06-17","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one",""],["OXW","5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile","C20 H19 F N10","CN1CCC(CC1)n2cc(Nc3ncc4nnn(c5ccc(F)cc5C#N)c4n3)cn2;CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F","InChI=1S/C20H19FN10/c1-29-6-4-16(5-7-29)30-12-15(10-24-30)25-20-23-11-17-19(26-20)31(28-27-17)18-3-2-14(21)8-13(18)9-22/h2-3,8,10-12,16H,4-7H2,1H3,(H,23,25,26)","","2020-04-07","2020-09-18","5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile","2020-09-23"],["3TD","(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol","C10 H15 N2 O9 P","O=C1NC=C(C(=O)N1C)C2OC(COP(=O)(O)O)C(O)C2O;CN1C(=O)NC=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CN1C(=O)C(=CNC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1","","2011-01-18","2011-12-14","(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",""],["OXX","OXALYL-ASPARTYL ANHYDRIDE","C6 H6 N O7","O=C(OC(=O)CC(N)C(=O)O)C([O-])=O;N[CH](CC(=O)OC(=O)C([O-])=O)C(O)=O;C(C(C(=O)O)N)C(=O)OC(=O)C(=O)[O-]","InChI=1S/C6H7NO7/c7-2(4(9)10)1-3(8)14-6(13)5(11)12/h2H,1,7H2,(H,9,10)(H,11,12)/p-1/t2-/m0/s1","","2004-05-20","2024-09-27","{[(3S)-3-amino-3-carboxypropanoyl]oxy}(oxo)acetate (non-preferred name)",""],["3TE","2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide","C22 H20 N4 O S2","O=C(Nc1ncc(s1)Cc3c2ccccc2ccc3)CSc4nc(cc(n4)C)C;Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc4ccccc34)cn2)n1;Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C","InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)","","2014-10-23","2015-02-20","2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide","2015-02-25"],["OXY","OXYGEN MOLECULE","O2","O=O;O=O","InChI=1S/O2/c1-2","","1999-07-08","2024-09-27","molecular oxygen",""],["OXZ","TETRAHYDROOXAZINE","C5 H11 N O4","OC1C(ONCC1O)CO;OC[CH]1ONC[CH](O)[CH]1O;C1C(C(C(ON1)CO)O)O","InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1","","2004-07-16","2011-06-04","(4R,5S,6R)-6-(hydroxymethyl)-1,2-oxazinane-4,5-diol",""],["3TF","(2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate","C43 H80 O10","O=C(OCC(OC(=O)CCCCCCCCCC=C/CCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCC=CCCCCCC","InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40-,41+,42-,43+/m1/s1","","2011-08-02","2011-09-16","(2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate",""],["3TG","1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one","C19 H18 N2 O","O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3;O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3;c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3","InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2","","2011-08-26","2012-01-27","1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one",""],["OY0","(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide","C15 H24 N2 O3 S","O=S(=O)(N)c1ccc(NC(=O)C(CCC)C(C)(C)C)cc1;CCC[CH](C(=O)Nc1ccc(cc1)[S](N)(=O)=O)C(C)(C)C;CCCC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C","InChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)/t13-/m1/s1","","2010-09-30","2011-08-05","(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide",""],["3TH","2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","C16 H12 Cl N3 O2 S","Clc2sc1nc(cc1c2)C(=O)NC4C(=O)Nc3ccccc3C4;Clc1sc2[nH]c(cc2c1)C(=O)N[CH]3Cc4ccccc4NC3=O;c1ccc2c(c1)CC(C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl","InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)/t11-/m1/s1","","2006-04-13","2011-06-04","2-chloro-N-[(3R)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide",""],["OY2","methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate","C15 H20 N2 O3","CCN1CCN(C(=O)CC)c2ccc(cc12)C(=O)OC;CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC","InChI=1S/C15H20N2O3/c1-4-14(18)17-9-8-16(5-2)13-10-11(15(19)20-3)6-7-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3","","2020-04-07","2020-07-17","methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate","2020-07-22"],["3TI","1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol","C17 H13 N O2","Oc3ccc(N=Cc1c2c(ccc1O)cccc2)cc3;Oc1ccc(cc1)N=Cc2c(O)ccc3ccccc23;c1ccc2c(c1)ccc(c2C=Nc3ccc(cc3)O)O","InChI=1S/C17H13NO2/c19-14-8-6-13(7-9-14)18-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,19-20H/b18-11+","","2011-08-26","2012-08-17","1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol",""],["OY3","(4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate","C17 H18 Br N2 O7 P","O=C(O)C(Cc1cccc(Br)c1)=[NH+]C=C1/C([O-])=C(C)NC=C1COP(=O)(O)O;CC1=C([O-])C(=C[NH+]=C(Cc2cccc(Br)c2)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=C[NH+]=C(Cc2cccc(c2)Br)C(=O)O)C(=CN1)COP(=O)(O)O)[O-]","InChI=1S/C17H18BrN2O7P/c1-10-16(21)14(12(7-19-10)9-27-28(24,25)26)8-20-15(17(22)23)6-11-3-2-4-13(18)5-11/h2-5,7-8,19,21H,6,9H2,1H3,(H,22,23)(H2,24,25,26)/b14-8-,20-15+","","2022-05-18","2022-05-27","(4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate","2022-06-01"],["OY4","N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide","C15 H16 F N5 O3 S","c2(ccc1CC(c1c2)NC(=N/O)c3nonc3SCCNC(C)=O)F;CC(=O)NCCSc1nonc1C(N[CH]2Cc3ccc(F)cc23)=NO;CC(=O)NCCSc1c(non1)C(=NO)NC2Cc3c2cc(cc3)F","InChI=1S/C15H16FN5O3S/c1-8(22)17-4-5-25-15-13(20-24-21-15)14(19-23)18-12-6-9-2-3-10(16)7-11(9)12/h2-3,7,12,23H,4-6H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1","","2019-07-18","2019-11-29","N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide","2019-12-04"],["3TJ","4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","C9 H11 F N2 O2 S","Fc1ccc2c(c1)S(=O)(=O)NCN2CC;CCN1CN[S](=O)(=O)c2cc(F)ccc12;CCN1CNS(=O)(=O)c2c1ccc(c2)F","InChI=1S/C9H11FN2O2S/c1-2-12-6-11-15(13,14)9-5-7(10)3-4-8(9)12/h3-5,11H,2,6H2,1H3","","2011-08-19","2011-09-16","4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",""],["3TK","N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide","C18 H18 N4 O S2","O=C(Nc1ncc(s1)Cc2ccccc2)CSc3nc(cc(n3)C)C;Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3ccccc3)cn2)n1;Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C","InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)","","2014-10-23","2015-02-20","N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide","2015-02-25"],["OY5","CA IX mimic","C8 H12 B18 Co N2 O4 S2","N[S](=O)(=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CC[S](N)(=O)=O;B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N","InChI=1S/2C4H6B9NO2S.Co/c2*14-17(15,16)2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11;/h2*1-2H2,(H2,14,15,16);/q;;+6","","2020-04-07","2020-09-04","","2020-09-09"],["OY6","~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide","C30 H27 N5 O4 S","COc1ccccc1NC(=O)c2ccc(NC(=O)N(CCC3=Nc4ccccc4C(=O)N3)Cc5sccc5)cc2;COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)N(CCC3=Nc4ccccc4C(=O)N3)Cc5cccs5","InChI=1S/C30H27N5O4S/c1-39-26-11-5-4-10-25(26)33-28(36)20-12-14-21(15-13-20)31-30(38)35(19-22-7-6-18-40-22)17-16-27-32-24-9-3-2-8-23(24)29(37)34-27/h2-15,18H,16-17,19H2,1H3,(H,31,38)(H,33,36)(H,32,34,37)","","2022-09-28","2023-10-06","~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide","2023-10-11"],["3TL","benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate","C50 H64 N6 O10","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)C)C(C)C)Cc4ccccc4)C(C)C)C;CC(C)[CH](NC(=O)[CH](C)NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)[CH](C)NC(=O)OCc4ccccc4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OCc3ccccc3)O)O)NC(=O)C(C)NC(=O)OCc4ccccc4","InChI=1S/C50H64N6O10/c1-31(2)41(55-45(59)33(5)51-49(63)65-29-37-23-15-9-16-24-37)47(61)53-39(27-35-19-11-7-12-20-35)43(57)44(58)40(28-36-21-13-8-14-22-36)54-48(62)42(32(3)4)56-46(60)34(6)52-50(64)66-30-38-25-17-10-18-26-38/h7-26,31-34,39-44,57-58H,27-30H2,1-6H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)/t33-,34-,39-,40-,41-,42-,43+,44+/m0/s1","TL-3, C2 symmetric inhibitor","2007-03-26","2021-03-13","benzyl [(5S,8S,11S,12R,13R,14S,17S,20S)-11,14-dibenzyl-12,13-dihydroxy-5-methyl-3,6,9,16,19-pentaoxo-1-phenyl-8,17-di(propan-2-yl)-2-oxa-4,7,10,15,18-pentaazahenicosan-20-yl]carbamate (non-preferred name)",""],["3TN","(2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID","C24 H28 O4","O=C(O)C=Cc3cc(c1c(OC)cc2c(c1)C(CCC2(C)C)(C)C)c(O)cc3;COc1cc2c(cc1c3cc(C=CC(O)=O)ccc3O)C(C)(C)CCC2(C)C;CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)C=CC(=O)O)(C)C)C","InChI=1S/C24H28O4/c1-23(2)10-11-24(3,4)19-14-21(28-5)17(13-18(19)23)16-12-15(6-8-20(16)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+","","2007-03-27","2011-06-04","(2E)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid",""],["OY7","(4-ethanoylphenyl)boronic acid","C8 H9 B O3","CC(=O)c1ccc(cc1)B(O)O;B(c1ccc(cc1)C(=O)C)(O)O","InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3","4-Acetylphenylboronic acid","2023-02-24","2024-02-23","(4-ethanoylphenyl)boronic acid","2024-02-28"],["3TO","3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine","C20 H23 N3 O","CN(Cc1occc1)Cc2cccc(CCc3cccnc3N)c2;CN(Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3","InChI=1S/C20H23N3O/c1-23(15-19-8-4-12-24-19)14-17-6-2-5-16(13-17)9-10-18-7-3-11-22-20(18)21/h2-8,11-13H,9-10,14-15H2,1H3,(H2,21,22)","","2009-11-20","2011-06-04","3-[2-[3-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]ethyl]pyridin-2-amine",""],["OY8","Metala-Carborane di-ethyl-sulfonamide","C8 H12 B18 Co N2 O4 S2","N[S](=O)(=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CC[S](N)(=O)=O;B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N","InChI=1S/2C4H6B9NO2S.Co/c2*14-17(15,16)2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11;/h2*1-2H2,(H2,14,15,16);/q;;+6","","2020-04-07","2020-09-04","","2020-09-09"],["OY9","3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile","C22 H19 Cl N4 O","Clc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O;Clc1ccc(CN2C=NC3=C(CN(CC3)Cc4cccc(c4)C#N)C2=O)cc1;c1cc(cc(c1)C#N)CN2CCC3=C(C2)C(=O)N(C=N3)Cc4ccc(cc4)Cl","InChI=1S/C22H19ClN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2","","2022-05-19","2023-01-06","3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile","2023-01-11"],["3TP","(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE","C17 H22 N4 O4 S","O=C(N1CCCC1)C(N)C(c2nc(no2)c3ccc(cc3)S(=O)(=O)C)C;C[CH]([CH](N)C(=O)N1CCCC1)c2onc(n2)c3ccc(cc3)[S](C)(=O)=O;CC(c1nc(no1)c2ccc(cc2)S(=O)(=O)C)C(C(=O)N3CCCC3)N","InChI=1S/C17H22N4O4S/c1-11(14(18)17(22)21-9-3-4-10-21)16-19-15(20-25-16)12-5-7-13(8-6-12)26(2,23)24/h5-8,11,14H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1","","2006-06-29","2011-06-04","(2S,3S)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine",""],["OYA","OCTANAL","C8 H16 O","O=CCCCCCCC;CCCCCCCC=O;CCCCCCCC=O","InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3","OCTYL ALDEHYDE","2007-07-09","2025-12-28","octanal",""],["3TQ","N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide","C24 H29 N3 O3 S","O=S(c1ccc(cc1)CNC(=O)c3oc2cnccc2c3)C4CCN(CC(C)C)CC4;CC(C)CN1CCC(CC1)[S](=O)c2ccc(CNC(=O)c3oc4cnccc4c3)cc2;CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3","InChI=1S/C24H29N3O3S/c1-17(2)16-27-11-8-21(9-12-27)31(29)20-5-3-18(4-6-20)14-26-24(28)22-13-19-7-10-25-15-23(19)30-22/h3-7,10,13,15,17,21H,8-9,11-12,14,16H2,1-2H3,(H,26,28)/t31-/m1/s1","","2014-10-27","2015-02-06","N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide","2015-02-11"],["3TR","3-AMINO-1,2,4-TRIAZOLE","C2 H4 N4","n1c(nnc1)N;Nc1n[nH]cn1;c1[nH]nc(n1)N","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","AMITROLE","2004-06-09","2024-09-27","1H-1,2,4-triazol-3-amine",""],["OYB","~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine","C17 H21 N7 O","COc1ccc(cc1)n2nnc3cnc(N[CH]4CC[CH](N)CC4)nc23;COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2","InChI=1S/C17H21N7O/c1-25-14-8-6-13(7-9-14)24-16-15(22-23-24)10-19-17(21-16)20-12-4-2-11(18)3-5-12/h6-12H,2-5,18H2,1H3,(H,19,20,21)/t11-,12-","","2020-04-07","2020-09-18","~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine","2020-09-23"],["3TS","(2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol","C30 H50 Cl N5 O14","Clc1ccc(cc1)COC2C(O)C(N)C(OC2CO)OC5C(N)CC(N)C(O)C5OC4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO;NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](OCc5ccc(Cl)cc5)[CH](O)[CH]4N)[CH](N)[CH](O)[CH]1O;c1cc(ccc1COC2C(OC(C(C2O)N)OC3C(CC(C(C3OC4C(C(C(O4)CO)OC5C(C(C(C(O5)CN)O)O)N)O)O)N)N)CO)Cl","InChI=1S/C30H50ClN5O14/c31-11-3-1-10(2-4-11)9-44-25-15(7-37)46-29(18(36)22(25)42)48-24-13(34)5-12(33)19(39)27(24)50-30-23(43)26(16(8-38)47-30)49-28-17(35)21(41)20(40)14(6-32)45-28/h1-4,12-30,37-43H,5-9,32-36H2/t12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1","","2012-07-30","2014-09-05","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranoside","2013-08-07"],["OYD","6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione","C12 H20 N4 O3","C=1(NCCCCCO)NC(NC(C=1N=[C@H]CC)=O)=O;CCC=NC1=C(NCCCCCO)NC(=O)NC1=O;CCC=NC1=C(NC(=O)NC1=O)NCCCCCO","InChI=1S/C12H20N4O3/c1-2-6-13-9-10(14-7-4-3-5-8-17)15-12(19)16-11(9)18/h6,17H,2-5,7-8H2,1H3,(H3,14,15,16,18,19)/b13-6+","","2019-07-18","2024-09-27","6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione","2020-02-19"],["3TT","[[[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","C8 H15 N4 O11 P3 S","NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N","InChI=1S/C8H15N4O11P3S/c9-5-1-2-12(8(13)10-5)6-4-27-7(22-6)3-21-26(19,20)23-25(17,18)11-24(14,15)16/h1-2,6-7H,3-4H2,(H,19,20)(H2,9,10,13)(H4,11,14,15,16,17,18)/t6-,7+/m0/s1","","2012-01-06","2014-08-22","[[[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid","2014-08-27"],["OYE","bn7GpppG mRNA 5' cap analog","C27 H31 N10 O18 P3","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[CH]3O;c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)C4C(C(C(O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O","InChI=1S/C27H33N10O18P3/c28-26-31-20-14(22(42)33-26)30-9-36(20)24-18(40)16(38)12(52-24)7-50-56(44,45)54-58(48,49)55-57(46,47)51-8-13-17(39)19(41)25(53-13)37-10-35(6-11-4-2-1-3-5-11)15-21(37)32-27(29)34-23(15)43/h1-5,9-10,12-13,16-19,24-25,38-41H,6-8H2,(H8-,28,29,31,32,33,34,42,43,44,45,46,47,48,49)/p-2/t12-,13-,16-,17-,18-,19-,24-,25-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","2020-04-07","2021-03-13","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate","2020-04-15"],["3TU","(2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid","C24 H21 N5 O6 S","O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4c2c(sc3N=C(NC(=O)c23)N)ccc4)C5)CCC(=O)O;NC1=Nc2sc3cccc(CNc4ccc5c(CN([CH](CCC(O)=O)C(O)=O)C5=O)c4)c3c2C(=O)N1;c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)C(CCC(=O)O)C(=O)O","InChI=1S/C24H21N5O6S/c25-24-27-20(32)19-18-11(2-1-3-16(18)36-21(19)28-24)9-26-13-4-5-14-12(8-13)10-29(22(14)33)15(23(34)35)6-7-17(30)31/h1-5,8,15,26H,6-7,9-10H2,(H,30,31)(H,34,35)(H3,25,27,28,32)/t15-/m0/s1","","2010-07-08","2011-06-04","(2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid",""],["OYF","(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C18 H14 Cl N3 O2","Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21;Clc1ccc2OCC[CH](C(=O)Nc3cncc4cnccc34)c2c1;c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cncc4c3ccnc4","InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["3TV","2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide","C9 H9 F4 N O2 S2","O=S(=O)(c1c(F)c(F)c(SCCC)c(F)c1F)N;CCCSc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O;CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F","InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)","","2014-10-24","2015-06-26","2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide","2015-07-01"],["OYG","6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione","C9 H10 N2 O3","N1C(NC(C([C@H]=[C@H]C(C)=O)=C1C)=O)=O;CC(=O)C=CC1=C(C)NC(=O)NC1=O;CC1=C(C(=O)NC(=O)N1)C=CC(=O)C","InChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+","","2019-07-18","2024-09-27","6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione","2020-02-19"],["3TW","4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol","C20 H18 N4 O3","n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cc(OCCOC)cc4;COCCOc1ccc2nc(ccc2c1)c3cn(nn3)c4ccc(O)cc4;COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O","InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3","","2014-10-24","2015-03-06","4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol","2015-03-11"],["OYH","4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid","C27 H19 N3 O4","O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1;OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5ccccc5)cc1C(O)=O;c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccccc5","InChI=1S/C27H19N3O4/c31-26(32)21-12-11-20(16-22(21)27(33)34)28-25-24(18-9-5-2-6-10-18)29-23-15-19(13-14-30(23)25)17-7-3-1-4-8-17/h1-16,28H,(H,31,32)(H,33,34)","","2022-05-19","2023-04-07","4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid","2023-04-12"],["3TX","4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol","C17 H12 N4 O","n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cccc4;Oc1ccc(cc1)n2cc(nn2)c3ccc4ccccc4n3;c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O","InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H","","2014-10-24","2015-03-06","4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol","2015-03-11"],["OYI","3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C11 H12 F N O2 S","CN(CCS)C(=O)c1ccc(C=O)c(F)c1;CN(CCS)C(=O)c1ccc(c(c1)F)C=O","InChI=1S/C11H12FNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3","","2022-09-28","2024-09-27","3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2023-03-29"],["OYJ","(3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}","C24 H21 Cl F2 N4 O5 S","O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(Cl)c(F)c3)CN(S(=O)(=O)C)C4;C[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4;CS(=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl","InChI=1S/C24H21ClF2N4O5S/c1-37(35,36)30-12-16(23(33)28-14-5-7-18(25)19(26)10-14)17(13-30)24(34)29-21-8-6-15(11-20(21)27)31-9-3-2-4-22(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,29,34)/t16-,17-/m0/s1","","2010-04-16","2011-06-04","(3R,4R)-N-(4-chloro-3-fluorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide",""],["3TY","3-(Phenylhydrazono)-L-tyrosine","C16 H17 N3 O4","O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N;N[CH](CC1=CC(=NNCc2ccccc2)C(=CC1=O)O)C(O)=O;c1ccc(cc1)CNN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N","InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1","3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE","2004-08-11","2025-07-23","3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine",""],["OYK","~{N},9-dimethylpurin-6-amine","C7 H9 N5","CNc1ncnc2n(C)cnc12;CNc1c2c(ncn1)n(cn2)C","InChI=1S/C7H9N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h3-4H,1-2H3,(H,8,9,10)","","2020-04-08","2021-04-09","~{N},9-dimethylpurin-6-amine","2021-04-14"],["3TZ","N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid","C23 H21 N5 O6 S","O=C(O)C(NC(=O)c1ccc(cc1)NCc4c2c(sc3N=C(NC(=O)c23)N)ccc4)CCC(=O)O;NC1=Nc2sc3cccc(CNc4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)c3c2C(=O)N1;c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C23H21N5O6S/c24-23-27-20(32)18-17-12(2-1-3-15(17)35-21(18)28-23)10-25-13-6-4-11(5-7-13)19(31)26-14(22(33)34)8-9-16(29)30/h1-7,14,25H,8-10H2,(H,26,31)(H,29,30)(H,33,34)(H3,24,27,28,32)/t14-/m0/s1","","2010-07-08","2011-06-04","N-(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}benzoyl)-L-glutamic acid",""],["OYL","1-ethyl-L-histidine","C8 H13 N3 O2","O=C(O)C(N)Cc1ncn(c1)CC;CCn1cnc(C[CH](N)C(O)=O)c1;CCn1cc(nc1)CC(C(=O)O)N","InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1","","2014-02-28","2024-09-27","1-ethyl-L-histidine","2014-06-25"],["3U0","2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid","C10 H13 N3 O2","NC(=N)NCc1ccc(CC(O)=O)cc1;c1cc(ccc1CC(=O)O)CNC(=N)N","InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)","2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid","2014-10-24","2024-09-27","2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid","2022-10-19"],["OYN","2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine","C6 H6 Cl N5","CNc1nc(Cl)nc2[nH]cnc12;CNc1c2c([nH]cn2)nc(n1)Cl","InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)","","2020-04-08","2021-04-09","2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine","2021-04-14"],["3U1","3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole","C24 H21 F2 N5 O","Fc6cccc(F)c6c1cc2c(cc1)nnc2c5nc(OC4C3(CC3)CCNC4)cnc5;Fc1cccc(F)c1c2ccc3[nH]nc(c4cncc(O[CH]5CNCCC56CC6)n4)c3c2;c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6)F","InChI=1S/C24H21F2N5O/c25-16-2-1-3-17(26)22(16)14-4-5-18-15(10-14)23(31-30-18)19-11-28-13-21(29-19)32-20-12-27-9-8-24(20)6-7-24/h1-5,10-11,13,20,27H,6-9,12H2,(H,30,31)/t20-/m0/s1","","2014-10-27","2015-01-30","3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole","2015-02-04"],["3U2","N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide","C14 H19 N O4","O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2;C[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NC(=O)c2ccccc2;CC1C(CC(C(C1O)O)O)NC(=O)c2ccccc2","InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1","","2014-10-29","2024-09-27","N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide","2014-11-12"],["OYO","(3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol","C8 H14 O5","CC1(C)O[CH]2O[CH](CO)[CH](O)[CH]2O1;CC1(OC2C(C(OC2O1)CO)O)C","InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1","","2023-02-24","2023-08-11","(3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol","2023-08-16"],["3U3","N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide","C9 H17 N O4","O=C(NC1C(C(O)C(O)C(O)C1)C)C;C[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NC(C)=O;CC1C(CC(C(C1O)O)O)NC(=O)C","InChI=1S/C9H17NO4/c1-4-6(10-5(2)11)3-7(12)9(14)8(4)13/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)/t4-,6+,7-,8-,9+/m1/s1","","2014-10-29","2024-09-27","N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide","2014-11-05"],["OYP","3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid","C23 H34 O3","O=C(O)CCc1ccc(cc1)COCC#CCCCCCCCCCC;CCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1;CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O","InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-20-22-15-13-21(14-16-22)17-18-23(24)25/h13-16H,2-10,17-20H2,1H3,(H,24,25)","","2011-04-08","2012-04-13","3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid",""],["3U4","2-fluorobenzoic acid","C7 H5 F O2","Fc1ccccc1C(=O)O;OC(=O)c1ccccc1F;c1ccc(c(c1)C(=O)O)F","InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)","","2014-10-30","2015-09-25","2-fluorobenzoic acid","2015-09-30"],["OYQ","(4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide","C13 H20 N2 O3 S","O=S(=O)(N)c1ccc(NC(=O)CCC(C)CC)cc1;CC[CH](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O;CCC(C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N","InChI=1S/C13H20N2O3S/c1-3-10(2)4-9-13(16)15-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1","","2010-09-30","2011-08-05","(4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide",""],["3U5","5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine","C19 H13 N5 S","n1cc(sc1N)c5cc4c(c2cc3ccccc3nc2)nnc4cc5;Nc1sc(cn1)c2ccc3n[nH]c(c4cnc5ccccc5c4)c3c2;c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N","InChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24)","","2014-10-30","2015-02-06","5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine","2015-02-11"],["OYR","4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid","C41 H32 N4 O5","O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2ccccn2)cc1;OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccc(CCOCc5ccc(cc5)c6ccccn6)cc4)c7ccccc7)cc1C(O)=O;c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccc(cc5)CCOCc6ccc(cc6)c7ccccn7","InChI=1S/C41H32N4O5/c46-40(47)34-18-17-33(25-35(34)41(48)49)43-39-38(44-37-24-32(19-22-45(37)39)29-6-2-1-3-7-29)31-15-9-27(10-16-31)20-23-50-26-28-11-13-30(14-12-28)36-8-4-5-21-42-36/h1-19,21-22,24-25,43H,20,23,26H2,(H,46,47)(H,48,49)","","2022-05-19","2023-04-07","4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid","2023-04-12"],["3U6","6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine","C20 H20 N6 S","n1nc(sc1c2cc3c(cc2)ncc3c5nc(NC4CCCC4)ccc5)N;Nc1sc(nn1)c2ccc3[nH]cc(c4cccc(NC5CCCC5)n4)c3c2;c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N","InChI=1S/C20H20N6S/c21-20-26-25-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(24-17)23-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,26)(H,23,24)","","2014-10-30","2015-02-06","6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine","2015-02-11"],["OYS","2-phenyl-N-(4-sulfamoylphenyl)acetamide","C14 H14 N2 O3 S","O=S(=O)(N)c2ccc(NC(=O)Cc1ccccc1)cc2;N[S](=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1;c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)","","2010-10-01","2011-08-05","2-phenyl-N-(4-sulfamoylphenyl)acetamide",""],["3U7","4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid","C16 H16 Cl2 N2 O4","O=C(c1ccc(OCCCC(=O)O)c(Cl)c1Cl)CCc2nccn2;OC(=O)CCCOc1ccc(C(=O)CCc2[nH]ccn2)c(Cl)c1Cl;c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O","InChI=1S/C16H16Cl2N2O4/c17-15-10(11(21)4-6-13-19-7-8-20-13)3-5-12(16(15)18)24-9-1-2-14(22)23/h3,5,7-8H,1-2,4,6,9H2,(H,19,20)(H,22,23)","","2014-10-30","2024-09-27","4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid","2015-05-20"],["OYT","9-cyclopropyl-~{N}-methyl-purin-6-amine","C9 H11 N5","CNc1ncnc2n(cnc12)C3CC3;CNc1c2c(ncn1)n(cn2)C3CC3","InChI=1S/C9H11N5/c1-10-8-7-9(12-4-11-8)14(5-13-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,12)","","2020-04-08","2021-04-09","9-cyclopropyl-~{N}-methyl-purin-6-amine","2021-04-14"],["3U8","4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid","C16 H17 Cl N2 O4","O=C(c1ccc(OCCCC(=O)O)c(Cl)c1)CCc2nccn2;OC(=O)CCCOc1ccc(cc1Cl)C(=O)CCc2[nH]ccn2;c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O","InChI=1S/C16H17ClN2O4/c17-12-10-11(13(20)4-6-15-18-7-8-19-15)3-5-14(12)23-9-1-2-16(21)22/h3,5,7-8,10H,1-2,4,6,9H2,(H,18,19)(H,21,22)","","2014-10-30","2024-09-27","4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid","2015-05-20"],["OYU","~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate","C7 H15 N O3","CC(C)(C)OC(=O)NCCO;CC(C)(C)OC(=O)NCCO","InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)","","2022-09-28","2024-09-27","~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate","2023-09-27"],["OYV","1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol","C14 H20 N2 O7","C(=O)([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)O)O)=O)C;CC(=O)C=CC1=C(CC[CH](O)[CH](O)[CH](O)CO)NC(=O)NC1=O;CC(=O)C=CC1=C(NC(=O)NC1=O)CCC(C(C(CO)O)O)O","InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1","","2019-07-19","2024-09-27","1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol","2020-02-19"],["3U9","3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-triazol-5-yl)pyridin-2-amine","C17 H18 F N5 O2","Fc1cc(c(OC)cc1)C(Oc2cc(cnc2N)c3cnnn3C)C;COc1ccc(F)cc1[CH](C)Oc2cc(cnc2N)c3cnnn3C;CC(c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C","InChI=1S/C17H18FN5O2/c1-10(13-7-12(18)4-5-15(13)24-3)25-16-6-11(8-20-17(16)19)14-9-21-22-23(14)2/h4-10H,1-3H3,(H2,19,20)/t10-/m1/s1","","2014-01-22","2014-05-23","3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-triazol-5-yl)pyridin-2-amine","2014-05-28"],["3UA","(2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C15 H20 F4 N2 O15 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(F)(F)C3(F)F)C(O)CO)O)O;OC[CH](O)[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(F)(F)C1(F)F;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(O3)C(CO)O)(F)F)(F)F)O)O","InChI=1S/C15H20F4N2O15P2/c16-14(17)10(5(23)3-22)34-12(15(14,18)19)35-38(30,31)36-37(28,29)32-4-6-8(25)9(26)11(33-6)21-2-1-7(24)20-13(21)27/h1-2,5-6,8-12,22-23,25-26H,3-4H2,(H,28,29)(H,30,31)(H,20,24,27)/t5-,6-,8-,9-,10+,11-,12-/m1/s1","","2014-10-31","2015-01-16","(2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2015-01-21"],["OYW","4-Cl-Bn7GpppG mRNA 5' cap analog","C27 H33 Cl N10 O18 P3","NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O;c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl","InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-04-08","2021-03-13","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","2020-06-10"],["3UB","propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate","C13 H20 N O5 P","O=P(OC(C)C)(O)C(NC(=O)OCc1ccccc1)C;CC(C)O[P](O)(=O)[CH](C)NC(=O)OCc1ccccc1;CC(C)OP(=O)(C(C)NC(=O)OCc1ccccc1)O","InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1","","2011-10-31","2024-09-27","propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate",""],["OYX","N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide","C24 H28 N2 O S","O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1;O=C(Cc1cncc2ccccc12)N(CCC3CCCCC3)Cc4sccc4;c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cccs4","InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2","","2023-08-18","2023-11-03","N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide","2023-11-08"],["3UC","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","C15 H20 F4 N2 O15 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(F)(F)C3(F)F)CO)O)O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(F)(F)C(F)(F)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)(F)F)(F)F)O)O","InChI=1S/C15H20F4N2O15P2/c16-14(17)10(26)5(3-22)34-12(15(14,18)19)35-38(30,31)36-37(28,29)32-4-6-8(24)9(25)11(33-6)21-2-1-7(23)20-13(21)27/h1-2,5-6,8-12,22,24-26H,3-4H2,(H,28,29)(H,30,31)(H,20,23,27)/t5-,6-,8-,9-,10+,11-,12-/m1/s1","","2014-10-31","2015-01-16","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2015-01-21"],["OYZ","(2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid","C26 H24 N4 O3","CCOc1ccccc1c2ccc(cc2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N;CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)NC(C)C(=O)O)C#N","InChI=1S/C26H24N4O3/c1-3-33-23-7-5-4-6-19(23)17-8-10-18(11-9-17)24-21(14-27)25(29-16(2)26(31)32)20-12-13-28-15-22(20)30-24/h4-11,13,16H,3,12,15H2,1-2H3,(H,29,30)(H,31,32)/t16-/m1/s1","","2020-04-08","2021-04-09","(2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid","2021-04-14"],["OZ0","3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid","C11 H16 B N O6 S","O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O;CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O;B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O","InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1","","2022-05-19","2024-09-27","3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid","2023-04-05"],["3UD","4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid","C37 H41 Cl2 F N2 O7 S","O=C(O)c1ccc(cc1OC)NC(=O)CC5(C(=O)N(C(CS(=O)(=O)C(C)(C)C)C2CC2)C(c3ccc(Cl)c(F)c3)C(c4cccc(Cl)c4)C5)C;COc1cc(NC(=O)C[C]2(C)C[CH]([CH](N([CH](C[S](=O)(=O)C(C)(C)C)C3CC3)C2=O)c4ccc(Cl)c(F)c4)c5cccc(Cl)c5)ccc1C(O)=O;CC1(CC(C(N(C1=O)C(CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O","InChI=1S/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/m1/s1","","2014-11-03","2014-11-28","4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid","2014-12-03"],["3UE","[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone","C25 H25 N3 O3","[O-][N+](=O)c1ccc(cc1C)C(=O)N4CCN(C(c2ccccc2)c3ccccc3)CC4;Cc1cc(ccc1[N+]([O-])=O)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4;Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4","InChI=1S/C25H25N3O3/c1-19-18-22(12-13-23(19)28(30)31)25(29)27-16-14-26(15-17-27)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3","","2014-11-03","2015-12-04","[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone","2015-12-09"],["OZ1","4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide","C22 H24 F2 N4 O4","c3cc(CNC(=O)C2=C(N)c1cc(CCCCCCO)cnc1N(C2=O)O)c(F)cc3F;NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CCCCCCO)cc13;c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N","InChI=1S/C22H24F2N4O4/c23-15-7-6-14(17(24)10-15)12-27-21(30)18-19(25)16-9-13(5-3-1-2-4-8-29)11-26-20(16)28(32)22(18)31/h6-7,9-11,29,32H,1-5,8,12,25H2,(H,27,30)","","2019-07-19","2020-02-07","4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide","2020-02-12"],["3UF","4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide","C8 H11 N O3 S2","O=S(=O)(c1ccc(SCCO)cc1)N;N[S](=O)(=O)c1ccc(SCCO)cc1;c1cc(ccc1SCCO)S(=O)(=O)N","InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)","","2014-11-03","2015-06-26","4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide","2015-07-01"],["OZ2","(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate","C37 H69 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCC=C/CCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCC","InChI=1S/C37H69O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h14,16-17,20,34-35,38-39H,3-13,15,18-19,21-33H2,1-2H3,(H,42,43)/b17-16-,20-14-/t34-,35+/m0/s1","","2010-10-06","2011-06-04","(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate",""],["OZ3","5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine","C9 H12 N3","NCc1ccc2C(=[NH+]Cc2c1)N;c1cc2c(cc1CN)C[NH+]=C2N","InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1","","2022-09-28","2024-09-27","5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine","2023-10-04"],["3UG","2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide","C11 H12 F4 N2 O2 S","O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2;N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F;C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F","InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19)","","2014-11-03","2015-06-26","2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide","2015-07-01"],["3UH","({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid","C22 H18 N2 O6","[O-][N+](=O)c1cccc(c1)CNC(=O)c2cc(ccc2OCC(=O)O)c3ccccc3;OC(=O)COc1ccc(cc1C(=O)NCc2cccc(c2)[N+]([O-])=O)c3ccccc3;c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O","InChI=1S/C22H18N2O6/c25-21(26)14-30-20-10-9-17(16-6-2-1-3-7-16)12-19(20)22(27)23-13-15-5-4-8-18(11-15)24(28)29/h1-12H,13-14H2,(H,23,27)(H,25,26)","","2014-11-04","2015-11-13","({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid","2015-11-18"],["OZ4","(7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one","C27 H33 N3 O2","C421C(C)CCN1CC3(NC2=O)Cc5c(C(C3C4)(C)C)nc6c5ccc7OC(C=Cc67)(C)C;C[CH]1CCN2C[C]34Cc5c([nH]c6c5ccc7OC(C)(C)C=Cc67)C(C)(C)[CH]3C[C]12C(=O)N4;CC1CCN2C13CC4C(c5c(c6ccc7c(c6[nH]5)C=CC(O7)(C)C)CC4(C2)NC3=O)(C)C","InChI=1S/C27H33N3O2/c1-15-9-11-30-14-26-12-18-16-6-7-19-17(8-10-24(2,3)32-19)21(16)28-22(18)25(4,5)20(26)13-27(15,30)23(31)29-26/h6-8,10,15,20,28H,9,11-14H2,1-5H3,(H,29,31)/t15-,20-,26+,27+/m0/s1","","2019-07-22","2020-01-17","(7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one","2020-01-22"],["3UI","N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide","C21 H23 Cl F3 N3 O4 S","CC[S](=O)(=O)c1ccc(Cl)cc1CNC(=O)c2cc(OC(F)(F)F)cc(c2)N3CCNCC3;CCS(=O)(=O)c1ccc(cc1CNC(=O)c2cc(cc(c2)OC(F)(F)F)N3CCNCC3)Cl","InChI=1S/C21H23ClF3N3O4S/c1-2-33(30,31)19-4-3-16(22)9-15(19)13-27-20(29)14-10-17(28-7-5-26-6-8-28)12-18(11-14)32-21(23,24)25/h3-4,9-12,26H,2,5-8,13H2,1H3,(H,27,29)","","2021-07-21","2022-07-22","~{N}-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide","2022-07-27"],["OZ5","(2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid","C26 H21 F N4 O2","CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O;CCC(C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C","InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1","","2020-04-08","2021-04-09","(2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid","2021-04-14"],["3UJ","5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide","C36 H42 N6 O","N#Cc2cc(cc(C(=O)NCCCN1CCCC1)c2)c6ccccc6N5CCN(CCn4c3ccccc3c(c4)C)CC5;Cc1cn(CCN2CCN(CC2)c3ccccc3c4cc(cc(c4)C(=O)NCCCN5CCCC5)C#N)c6ccccc16;Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N","InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)","","2014-11-04","2015-04-03","5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide","2015-04-08"],["OZ6","(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C26 H43 N5 O5","CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C=O)C","InChI=1S/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h13-19H,9-12H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1","","2023-02-28","2023-10-13","(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-18"],["3UK","5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine","C17 H19 N6 O8 P","O=P(OC(=O)c1ccccc1N)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ccccc1C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1ccc(c(c1)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C17H19N6O8P/c18-9-4-2-1-3-8(9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5,18H2,(H,27,28)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1","","2014-11-04","2015-11-06","5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine","2015-11-11"],["OZ7","(8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one","C27 H33 N3 O3","C127C(CCN1CC6(NC2=O)Cc5c3c(c4OC=CC(C)(C)Oc4cc3)nc5C(C)(C)C6C7)C;C[CH]1CCN2C[C]34Cc5c([nH]c6c7OC=CC(C)(C)Oc7ccc56)C(C)(C)[CH]3C[C]12C(=O)N4;CC1CCN2C13CC4C(c5c(c6ccc7c(c6[nH]5)OC=CC(O7)(C)C)CC4(C2)NC3=O)(C)C","InChI=1S/C27H33N3O3/c1-15-8-10-30-14-26-12-17-16-6-7-18-21(32-11-9-24(2,3)33-18)20(16)28-22(17)25(4,5)19(26)13-27(15,30)23(31)29-26/h6-7,9,11,15,19,28H,8,10,12-14H2,1-5H3,(H,29,31)/t15-,19-,26+,27+/m0/s1","","2019-07-22","2020-01-17","(8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one","2020-01-22"],["3UL","N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide","C18 H18 F3 N3 O","FC(F)(F)c1cc(c(cc1)N2CCCCC2)NC(=O)c3ccncc3;FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1;c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3","InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)","","2014-11-05","2015-09-11","N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide","2015-09-16"],["OZ8","4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one","C20 H25 N3 O2","O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4;c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4","InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1","","2020-04-08","2021-04-09","4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one","2021-04-14"],["OZ9","3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid","C11 H16 B N O6 S","O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O;CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O;B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O","InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m0/s1","","2022-05-19","2024-09-27","3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid","2023-04-05"],["3UM","(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid","C20 H30 O4","O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3;C[CH]1[CH]2C[CH](O)[C]3(O)[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC=C1C=C;CC1C2CC(C3(C(C2CC=C1C=C)(CCCC3(C)C(=O)O)C)O)O","InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1","","2014-11-05","2024-09-27","(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid","2015-01-14"],["3UN","(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID","C21 H32 N2 O9 S","O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)OCC)(C(=O)OCC)CCNC(=O)OC(C)(C)C;CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(N[S](O)(=O)=O)cc1)C(=O)OCC;CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC","InChI=1S/C21H32N2O9S/c1-6-30-17(24)21(18(25)31-7-2,12-13-22-19(26)32-20(3,4)5)14-15-8-10-16(11-9-15)23-33(27,28)29/h8-11,23H,6-7,12-14H2,1-5H3,(H,22,26)(H,27,28,29)","","2006-05-17","2011-06-04","(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid",""],["OZA","(5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","C21 H24 Br N3 O","C314NC(C2(CCCN2C1)CC3C(c5c(C4)c6c(n5)cc(cc6)Br)(C)C)=O;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c6ccc(Br)cc6[nH]c15)NC4=O;CC1(c2c(c3ccc(cc3[nH]2)Br)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H24BrN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1","","2019-07-22","2020-01-17","(5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2020-01-22"],["3UO","2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide","C16 H16 N4 O3","O=C(Nc1nccc(c1)C(=O)Nc2c(OC)ccnc2)C3CC3;COc1ccncc1NC(=O)c2ccnc(NC(=O)C3CC3)c2;COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3","InChI=1S/C16H16N4O3/c1-23-13-5-6-17-9-12(13)19-16(22)11-4-7-18-14(8-11)20-15(21)10-2-3-10/h4-10H,2-3H2,1H3,(H,19,22)(H,18,20,21)","","2014-11-05","2016-01-29","2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide","2016-02-03"],["OZB","(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide","C24 H34 F N5 O4 S2","CC(C)(C)[CH](NC(=O)C1(F)CC1)C(=O)N2CC3(C[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)SCCS3;CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3=O)C#N)SCCS2)NC(=O)C4(CC4)F","InChI=1S/C24H34FN5O4S2/c1-22(2,3)17(29-21(34)23(25)5-6-23)20(33)30-13-24(35-8-9-36-24)11-16(30)19(32)28-15(12-26)10-14-4-7-27-18(14)31/h14-17H,4-11,13H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t14-,15-,16-,17+/m0/s1","","2023-02-28","2023-10-13","(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide","2023-10-18"],["3UP","2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide","C21 H18 N4 O2","O=C(Nc1nccc(c1)C(=O)Nc3c(c2ccccc2)ccnc3)C4CC4;O=C(Nc1cc(ccn1)C(=O)Nc2cnccc2c3ccccc3)C4CC4;c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4","InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26)","","2014-11-05","2016-01-29","2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide","2016-02-03"],["OZC","(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one","C20 H17 Cl N2 O","Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O;Clc1ccc(cc1)[CH]2CCCN(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(cc4)Cl","InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1","","2023-08-18","2023-11-03","(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one","2023-11-08"],["3UQ","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)","C15 H13 Ru","[Ru+]%11674389%10%116c%12c8c9c%10c%11%13c6%12cccc%13;[Ru+]|12|3|4|5|6|7|8|9(|C%10=C|1C2C|3=C|4%10)|C%11=C|5c%12|6ccccc|7%12C|8=C|9%11;C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1","InChI=1S/C10H8.C5H5.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+1","","2014-11-05","2015-06-26","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)","2015-07-01"],["OZD","6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione","C9 H12 N4 O4","C(CO)NC=1NC(=O)NC(C=1N=CC(C)=O)=O;CC(=O)C=NC1=C(NCCO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCCO","InChI=1S/C9H12N4O4/c1-5(15)4-11-6-7(10-2-3-14)12-9(17)13-8(6)16/h4,14H,2-3H2,1H3,(H3,10,12,13,16,17)/b11-4+","","2019-07-22","2024-09-27","6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione","2020-02-19"],["3UR","(3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine","C22 H20 F2 N6","Fc5cccc(F)c5c3cc4c(c2nc(N1CCCC(N)C1)cnc2)nnc4cc3;N[CH]1CCCN(C1)c2cncc(n2)c3[nH]nc4ccc(cc34)c5c(F)cccc5F;c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCCC(C5)N)F","InChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-10-26-11-20(27-19)30-8-2-3-14(25)12-30/h1,4-7,9-11,14H,2-3,8,12,25H2,(H,28,29)/t14-/m0/s1","","2014-11-05","2015-01-30","(3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine","2015-02-04"],["OZE","(((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate","C24 H32 N3 O7 P","CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O;CC(C)CC(C(=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc2ccccc2)O","InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22+/m0/s1","(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p\nentanoic acid","2020-04-09","2021-04-16","(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid","2021-04-21"],["OZF","3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid","C11 H17 B N O9 P S","O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O;CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O)(O)=O;B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O","InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m1/s1","","2022-05-19","2024-09-27","3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid","2023-04-05"],["3US","N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine","C33 H51 N9 O5","O=C(NCCCCNc4ncnc1c4ncn1C2OC(C(O)C2O)CN(C(C)C)CCCNC(=O)Nc3ccc(cc3)C(C)(C)C)C;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(NCCCCNC(C)=O)ncnc34;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC2C(C(C(O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O","InChI=1S/C33H51N9O5/c1-21(2)41(17-9-16-36-32(46)40-24-12-10-23(11-13-24)33(4,5)6)18-25-27(44)28(45)31(47-25)42-20-39-26-29(37-19-38-30(26)42)35-15-8-7-14-34-22(3)43/h10-13,19-21,25,27-28,31,44-45H,7-9,14-18H2,1-6H3,(H,34,43)(H,35,37,38)(H2,36,40,46)/t25-,27-,28-,31-/m1/s1","","2014-11-06","2014-11-28","N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine","2014-12-03"],["3UT","(5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine","C24 H18 F2 N4 O3","Fc1ncccc1c6cc5c(Oc3c(F)nc(C2=CCCOC2)cc3C54N=C(OC4)N)cc6;NC1=N[C]2(CO1)c3cc(ccc3Oc4c(F)nc(cc24)C5=CCCOC5)c6cccnc6F;c1cc(c(nc1)F)c2ccc3c(c2)C4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6","InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1","","2014-11-06","2015-02-27","(5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine","2015-03-04"],["OZG","[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid","C17 H14 O5","c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3;COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1;COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O","InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)","","2019-07-22","2019-12-20","[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid","2019-12-25"],["3UW","(4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one","C20 H19 F N4 O3","Fc1ncccc1c5cc3c(OC4CCCOC4C32N=C(N)N(C2=O)C)cc5;CN1C(=N[C]2([CH]3OCCC[CH]3Oc4ccc(cc24)c5cccnc5F)C1=O)N;CN1C(=O)C2(c3cc(ccc3OC4C2OCCC4)c5cccnc5F)N=C1N","InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1","","2014-11-07","2014-11-28","(4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one","2014-12-03"],["OZH","(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid","C24 H32 N3 O7 P","CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O;CC(C)CC(C(=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc2ccccc2)O","InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22-/m0/s1","","2020-04-09","2021-04-16","(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid","2021-04-21"],["3UX","(4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one","C21 H21 F N4 O3","Fc1ncccc1c5cc4c(OC2(CCCOC2C43N=C(N)N(C3=O)C)C)cc5;CN1C(=N[C]2([CH]3OCCC[C]3(C)Oc4ccc(cc24)c5cccnc5F)C1=O)N;CC12CCCOC1C3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C","InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21+/m1/s1","","2014-11-07","2014-11-28","(4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one","2014-12-03"],["OZI","(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","C18 H18 Cl3 N3 O2 S","ClCC(=O)N1CCN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)c3;c1cc(sc1)CNC(=O)C2CN(CCN2c3ccc(c(c3)Cl)Cl)C(=O)CCl","InChI=1S/C18H18Cl3N3O2S/c19-9-17(25)23-5-6-24(12-3-4-14(20)15(21)8-12)16(11-23)18(26)22-10-13-2-1-7-27-13/h1-4,7-8,16H,5-6,9-11H2,(H,22,26)/t16-/m0/s1","","2022-09-28","2024-09-27","(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","2023-08-09"],["OZJ","2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C14 H10 N6 O","O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N)c3;Nc1nc(N)c2c([nH]c(c3cccc(C=O)c3)c2C#N)n1;c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O","InChI=1S/C14H10N6O/c15-5-9-10-12(16)19-14(17)20-13(10)18-11(9)8-3-1-2-7(4-8)6-21/h1-4,6H,(H5,16,17,18,19,20)","","2014-01-13","2024-09-27","2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2015-01-21"],["3UY","(4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine","C20 H20 F N3 O3","Fc1ncccc1c5cc4c(OC2(CCCOC2C43N=C(OC3)N)C)cc5;C[C]12CCCO[CH]1[C]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F;CC12CCCOC1C3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F","InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20+/m1/s1","","2014-11-07","2014-11-28","(4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine","2014-12-03"],["OZK","3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide","C28 H29 N7 O3","CC(C)(N)CC(=O)N[CH]1COc2ccccc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C1=O;CC(C)(CC(=O)NC1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N","InChI=1S/C28H29N7O3/c1-28(2,29)15-25(36)30-22-17-38-24-10-6-5-9-23(24)35(27(22)37)16-18-11-13-19(14-12-18)20-7-3-4-8-21(20)26-31-33-34-32-26/h3-14,22H,15-17,29H2,1-2H3,(H,30,36)(H,31,32,33,34)/t22-/m1/s1","","2020-04-12","2020-06-19","3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide","2020-06-24"],["3UZ","(2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide","C23 H22 Cl N O4","Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2;COc1cc(CCNC(=O)[CH](OCC#C)c2ccc(Cl)cc2)ccc1OCC#C;COc1cc(ccc1OCC#C)CCNC(=O)C(c2ccc(cc2)Cl)OCC#C","InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)/t22-/m0/s1","Mandipropamid","2014-11-07","2022-10-27","(2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide","2015-02-11"],["3V0","N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide","C17 H15 F I N3 O5","Ic1ccc(c(F)c1)Nc2c3c(oc2C(=O)NOCC(O)CO)ccnc3;OC[CH](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOCC(CO)O","InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1","","2012-01-11","2012-05-04","N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide",""],["OZL","(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide","C25 H40 N6 O4 S2","CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C(C)(C)C;CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3=O)C#N)SCCS2)NC(=O)NC(C)(C)C","InChI=1S/C25H40N6O4S2/c1-23(2,3)18(29-22(35)30-24(4,5)6)21(34)31-14-25(36-9-10-37-25)12-17(31)20(33)28-16(13-26)11-15-7-8-27-19(15)32/h15-18H,7-12,14H2,1-6H3,(H,27,32)(H,28,33)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1","","2023-02-28","2023-10-13","(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide","2023-10-18"],["3V1","2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide","C24 H19 Cl N4 O4 S","O=C(c1sc(Cl)nc1C)Nc4cccc(Oc3ccc(NC(=O)C(/C#N)=C(O)C2CC2)cc3)c4;Cc1nc(Cl)sc1C(=O)Nc2cccc(Oc3ccc(NC(=O)C(C#N)=C(O)C4CC4)cc3)c2;Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)C(=C(C4CC4)O)C#N","InChI=1S/C24H19ClN4O4S/c1-13-21(34-24(25)27-13)23(32)29-16-3-2-4-18(11-16)33-17-9-7-15(8-10-17)28-22(31)19(12-26)20(30)14-5-6-14/h2-4,7-11,14,30H,5-6H2,1H3,(H,28,31)(H,29,32)/b20-19-","","2014-11-07","2015-11-20","2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide","2015-11-25"],["OZM","(6-benzyl-1-benzofuran-3-yl)acetic acid","C17 H14 O3","C(c1ccc2c(CC(O)=O)coc2c1)c3ccccc3;OC(=O)Cc1coc2cc(Cc3ccccc3)ccc12;c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O","InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)","","2019-07-22","2019-12-20","(6-benzyl-1-benzofuran-3-yl)acetic acid","2019-12-25"],["3V2","[(1R)-1-aminopropyl]phosphonic acid","C3 H10 N O3 P","O=P(O)(O)C(N)CC;CC[CH](N)[P](O)(O)=O;CCC(N)P(=O)(O)O","InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1","","2014-11-09","2024-09-27","[(1R)-1-aminopropyl]phosphonic acid","2015-02-11"],["OZN","2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide","C25 H30 Cl N9 O","CN(C)C(=O)CN1CCC(CC1)n2nc(C)c(Nc3ncc(Cl)c(n3)c4cnn5ccccc45)c2C;Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl","InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30)","","2016-03-02","2025-12-15","2-[4-[4-[(5-chloranyl-4-pyrazolo[1,5-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-~{N},~{N}-dimethyl-ethanamide","2016-10-19"],["OZO","3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid","C11 H17 B N O9 P S","O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O;CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O)(O)=O;B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O","InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m0/s1","","2022-05-19","2024-09-27","3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid","2023-04-05"],["3V3","1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid","C11 H23 N O6","O=C(O)CCOCCOCCOCCOCCN;NCCOCCOCCOCCOCCC(O)=O;C(COCCOCCOCCOCCN)C(=O)O","InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)","","2014-11-09","2024-09-27","1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid","2015-02-11"],["3V4","(+)-3-carene","C10 H16","C1(=CCC2C(C1)C2(C)C)C;CC1=CC[CH]2[CH](C1)C2(C)C;CC1=CCC2C(C1)C2(C)C","InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1","(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene","2014-11-11","2021-03-13","(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene","2015-01-28"],["OZP","9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine","C24 H32 N8 O6","c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N)C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N;N[CH](CCN(CCCc1cccc(c1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1cc(cc(c1)C(=O)N)CCCN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C24H32N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,2,4,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23-/m0/s1","","2019-07-22","2019-11-22","9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine","2019-11-27"],["3V5","(3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline","C11 H19 N3 O4 S","O=C(C(C=O)C1NC(C(=O)O)C(SCNCN)C1)C;CC(=O)[CH](C=O)[CH]1C[CH](SCNCN)[CH](N1)C(O)=O;CC(=O)C(C=O)C1CC(C(N1)C(=O)O)SCNCN","InChI=1S/C11H19N3O4S/c1-6(16)7(3-15)8-2-9(19-5-13-4-12)10(14-8)11(17)18/h3,7-10,13-14H,2,4-5,12H2,1H3,(H,17,18)/t7-,8-,9-,10-/m0/s1","olivanic acid analog, open from","2014-11-05","2024-09-27","(3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline","2015-07-29"],["OZQ","5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid","C22 H23 N O5 S","CCc1cccc(CC)c1N[S](=O)(=O)c2ccc(cc2C)c3occ(c3)C(O)=O;CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC","InChI=1S/C22H23NO5S/c1-4-15-7-6-8-16(5-2)21(15)23-29(26,27)20-10-9-17(11-14(20)3)19-12-18(13-28-19)22(24)25/h6-13,23H,4-5H2,1-3H3,(H,24,25)","","2020-04-12","2020-06-19","5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid","2020-06-24"],["M4E","~{N}-methyl-2~{H}-indazole-3-carboxamide","C9 H9 N3 O","CNC(=O)c1n[nH]c2ccccc12;CNC(=O)c1c2ccccc2[nH]n1","InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)","","2019-10-03","2020-02-28","~{N}-methyl-1~{H}-indazole-3-carboxamide","2020-03-04"],["3V6","Bactobolin A","C15 H22 Cl2 N2 O5","ClC(Cl)C2(OC(=O)C1=C(O)CC(C(O)C1C2NC(=O)C(N)C)C)C;C[CH](N)C(=O)N[CH]1[CH]2[CH](O)[CH](C)CC(=C2C(=O)O[C]1(C)C(Cl)Cl)O;CC1CC(=C2C(C1O)C(C(OC2=O)(C)C(Cl)Cl)NC(=O)C(C)N)O","InChI=1S/C15H22Cl2N2O5/c1-5-4-7(20)8-9(10(5)21)11(19-12(22)6(2)18)15(3,14(16)17)24-13(8)23/h5-6,9-11,14,20-21H,4,18H2,1-3H3,(H,19,22)/t5-,6+,9+,10+,11-,15+/m1/s1","","2014-11-11","2015-01-16","N-[(3S,4R,4aR,5S,6R)-3-(dichloromethyl)-5,8-dihydroxy-3,6-dimethyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamide","2015-01-21"],["3V7","3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol","C6 H11 N3 O2","OCCCn1nnc(c1)CO;OCCCn1cc(CO)nn1;c1c(nnn1CCCO)CO","InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2","","2014-11-11","2024-09-27","3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol","2015-03-04"],["M4F","4-(trifluoromethoxy)benzoic acid","C8 H5 F3 O3","FC(F)(F)Oc1ccc(cc1)C(=O)O;OC(=O)c1ccc(OC(F)(F)F)cc1;c1cc(ccc1C(=O)O)OC(F)(F)F","InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)","","2022-03-11","2023-02-24","4-(trifluoromethoxy)benzoic acid","2023-03-01"],["3V8","(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline","C10 H14 N4 O4","O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2;OC(=O)CCc1cn(nn1)[CH]2CN[CH](C2)C(O)=O;c1c(nnn1C2CC(NC2)C(=O)O)CCC(=O)O","InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1","","2014-11-12","2024-09-27","(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline","2015-03-04"],["M4G","[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid","C17 H17 N7 O6 S","O(c3ccc(NC(n1nc(nc1N)Nc2ccc(cc2)S(N)(=O)=O)=O)cc3)CC(O)=O;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccc(OCC(O)=O)cc3;c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O","InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23)","","2019-03-21","2020-03-20","[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid","2020-03-25"],["3V9","N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C17 H25 N2 O9 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O","InChI=1S/C17H25N2O9P/c1-17(2,9-28-29(23,24)25)15(21)16(22)18-6-5-14(20)19-8-11-3-4-12-13(7-11)27-10-26-12/h3-4,7,15,21H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,20)(H2,23,24,25)/t15-/m0/s1","","2014-11-12","2016-08-05","N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2016-08-10"],["M4H","5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid","C19 H19 N3 O4","OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O;c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O","InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)","","2019-10-03","2020-04-10","5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid","2020-04-15"],["3VB","D-Threitol","C4 H10 O4","OCC(O)C(O)CO;OC[CH](O)[CH](O)CO;C(C(C(CO)O)O)O","InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1","","2014-11-12","2015-06-01","(2R,3R)-butane-1,2,3,4-tetrol","2014-12-10"],["M4I","~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide","C11 H14 N4 O","CNC(=O)c1cncc2[nH]nc(C(C)C)c12;CC(C)c1c2c(cncc2[nH]n1)C(=O)NC","InChI=1S/C11H14N4O/c1-6(2)10-9-7(11(16)12-3)4-13-5-8(9)14-15-10/h4-6H,1-3H3,(H,12,16)(H,14,15)","","2022-07-22","2022-09-09","~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide","2022-09-14"],["3VC","N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine","C21 H16 F N7","Fc2ccc1cc(c(nc1c2)c3ncccc3)C(Nc5ncnc4c5ncn4)C;C[CH](Nc1ncnc2[nH]cnc12)c3cc4ccc(F)cc4nc3c5ccccn5;CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4","InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1","","2014-11-12","2014-12-12","N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine","2014-12-17"],["M4J","N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide","C26 H19 F3 N4 O","c5cc4c3c(cc(c2n(c1ccc(NC(=O)CN)cc1)nc(C(F)(F)F)c2)cc3)ccc4cc5;NCC(=O)Nc1ccc(cc1)n2nc(cc2c3ccc4c(ccc5ccccc45)c3)C(F)(F)F;c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F","InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)","","2019-03-22","2019-11-08","N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide","2019-11-13"],["3VD","N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine","C22 H16 Cl F N6","Fc1cccc(c1)c2nc5c(cc2C(Nc4ncnc3c4ncn3)C)cccc5Cl;C[CH](Nc1ncnc2[nH]cnc12)c3cc4cccc(Cl)c4nc3c5cccc(F)c5;CC(c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4","InChI=1S/C22H16ClFN6/c1-12(29-22-20-21(26-10-25-20)27-11-28-22)16-9-14-5-3-7-17(23)19(14)30-18(16)13-4-2-6-15(24)8-13/h2-12H,1H3,(H2,25,26,27,28,29)/t12-/m0/s1","","2014-11-12","2014-12-12","N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine","2014-12-17"],["M4K","6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","C15 H17 N3 O2","O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3;c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3","InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)","","2019-10-03","2020-02-28","6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","2020-03-04"],["M4L","(2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide","C14 H13 Br N2 O3","O=C(Nc1cnccc1OC)C(O)c1cccc(Br)c1;COc1ccncc1NC(=O)[CH](O)c2cccc(Br)c2;COc1ccncc1NC(=O)C(c2cccc(c2)Br)O","InChI=1S/C14H13BrN2O3/c1-20-12-5-6-16-8-11(12)17-14(19)13(18)9-3-2-4-10(15)7-9/h2-8,13,18H,1H3,(H,17,19)/t13-/m0/s1","","2023-08-15","2023-11-03","(2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide","2023-11-08"],["3VE","N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine","C22 H18 Cl N7","Clc2cccc1cc(c(nc12)c3cccnc3C)C(Nc5ncnc4c5ncn4)C;C[CH](Nc1ncnc2[nH]cnc12)c3cc4cccc(Cl)c4nc3c5cccnc5C;Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)C(C)Nc4c5c([nH]cn5)ncn4","InChI=1S/C22H18ClN7/c1-12-15(6-4-8-24-12)19-16(9-14-5-3-7-17(23)18(14)30-19)13(2)29-22-20-21(26-10-25-20)27-11-28-22/h3-11,13H,1-2H3,(H2,25,26,27,28,29)/t13-/m0/s1","","2014-11-12","2014-12-12","N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine","2014-12-17"],["3VF","N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide","C24 H20 Cl2 N4 O3","N#Cc1nc(ccn1)CNC(=O)c3ccc(OC)c(C(=O)C(c2cc(Cl)cc(Cl)c2)(C)C)c3;COc1ccc(cc1C(=O)C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)NCc3ccnc(n3)C#N;CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N","InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)","","2014-11-13","2024-09-27","N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide","2015-01-14"],["M4M","1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid","C20 H15 N3 O7 S2","O=S(=O)(N)c1ccc(cc1)Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)S(=O)(=O)O)N;Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)[S](N)(=O)=O)cc1[S](O)(=O)=O;c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-5-7-11(8-6-10)31(22,26)27)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)","1-amino-4-(4-aminosulfonyl)phenylamino-anthraquinone-2-sulfonic acid","2011-10-06","2021-03-01","1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid",""],["3VH","\n(3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid","C35 H38 Cl N5 O7","O=C(O)C2C=CC1C=CC7C(C(=O)N12)N(C(=O)C4N3C(=O)C6(C=CC3CC4)N(C(=O)C(NC(=O)C)Cc5ccccc5Cl)CCC6)CC7;CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7C=C[CH](N7C(=O)[CH]56)C(O)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4C3=O)C(=O)N5CCC6C5C(=O)N7C(C=C6)C=CC7C(=O)O","InChI=1S/C35H38ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,10,12-13,16,21,23-24,26-29H,4,9,11,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1","","2013-11-25","2014-10-10","(3aR,5aS,8S,10aS)-1-({(3S,6R,8aS)-1'-[(2S)-2-(acetylamino)-3-(2-chlorophenyl)propanoyl]-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidin]-3-yl}carbonyl)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid (non-preferred name)","2014-10-15"],["M4N","~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide","C11 H11 N3 O","CNC(=O)c1[nH]nc(c1)c2ccccc2;CNC(=O)c1cc(n[nH]1)c2ccccc2","InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)","","2019-10-03","2020-02-28","~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide","2020-03-04"],["3VI","1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}","C13 H14 N4 O2","ON=Cc1cc[n+](C[n+]2ccc(C=NO)cc2)cc1;ON=Cc1cc[n+](C[n+]2ccc(cc2)C=NO)cc1;c1c[n+](ccc1C=NO)C[n+]2ccc(cc2)C=NO","InChI=1S/C13H12N4O2/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19/h1-10H,11H2/p+2","","2021-07-06","2021-09-17","1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}","2021-09-22"],["M4O","(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid","C49 H80 N5 O32 P","O=C(O)C(OC/C=C(/C)CCC=C(/C)C)COP(=O)(O)OC5OC(C(=O)N)C(O)(C)C(OC(=O)N)C5OC4OC(COC1OC(C(O)C(O)C1O)CO)C(OC3OC(C)C(OC2OC(C(=O)N)C(O)C(O)C2O)C(O)C3NC(=O)C)C(O)C4NC(=O)C;C[CH]1O[CH](O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)O[CH]4[CH](O[CH](C(N)=O)[C](C)(O)[CH]4OC(N)=O)O[P](O)(=O)OC[CH](OCC=C(C)CCC=C(C)C)C(O)=O)[CH](NC(C)=O)[CH](O)[CH]1O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(N)=O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)NC(=O)C)OC3C(C(C(OC3OP(=O)(O)OCC(C(=O)O)OCC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)COC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)O)OC5C(C(C(C(O5)C(=O)N)O)O)O","InChI=1S/C49H80N5O32P/c1-16(2)9-8-10-17(3)11-12-74-23(42(68)69)15-76-87(72,73)86-47-37(38(85-48(52)70)49(7,71)39(84-47)41(51)67)83-44-25(54-20(6)57)28(60)35(22(79-44)14-75-45-32(64)29(61)26(58)21(13-55)78-45)81-43-24(53-19(5)56)27(59)34(18(4)77-43)80-46-33(65)30(62)31(63)36(82-46)40(50)66/h9,11,18,21-39,43-47,55,58-65,71H,8,10,12-15H2,1-7H3,(H2,50,66)(H2,51,67)(H2,52,70)(H,53,56)(H,54,57)(H,68,69)(H,72,73)/b17-11-/t18-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36+,37-,38-,39-,43+,44+,45-,46-,47-,49+/m1/s1","Neryl Moenomycin A","2008-02-28","2021-03-01","(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid (non-preferred name)",""],["3VJ","3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide","C22 H23 Cl2 N3 O4","Clc1cc(cc(Cl)c1)C(C(=O)c2cc(C(=O)NCC(=O)NCC=[N@H])ccc2OC)(C)C;COc1ccc(cc1C(=O)C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)NCC(=O)NCC=N;CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCC(=O)NCC=N","InChI=1S/C22H23Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-6,8-11,25H,7,12H2,1-3H3,(H,26,28)(H,27,30)/b25-6-","","2014-11-14","2024-09-27","3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide","2015-01-14"],["M4P","[4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid","C18 H15 N7 O4","OC(COc1ccc(cc1)NC(n3c(nc(Nc2ccc(C#N)cc2)n3)N)=O)=O;Nc1nc(Nc2ccc(cc2)C#N)nn1C(=O)Nc3ccc(OCC(O)=O)cc3;c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N","InChI=1S/C18H15N7O4/c19-9-11-1-3-12(4-2-11)21-17-23-16(20)25(24-17)18(28)22-13-5-7-14(8-6-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24)","","2019-03-22","2020-03-20","[4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid","2020-03-25"],["3VK","N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide","C22 H34 Cl2 N4 O5 S","Clc1cc(cc(Cl)c1)C(C(=O)NC(C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C)NCC;CCN[CH](C(=O)N[CH](C(=O)NCC(=O)NCCC[S](C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1;CCNC(c1cc(cc(c1)Cl)Cl)C(=O)NC(C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C","InChI=1S/C22H34Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h10-12,18-19,25H,6-9,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/t18-,19+/m0/s1","","2014-11-14","2024-09-27","N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide","2015-01-14"],["M4Q","6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","C11 H13 N3 O2 S","CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2;CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2","InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16)","","2019-10-03","2020-02-28","6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","2020-03-04"],["3VL","methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate","C30 H35 N O10","O=C(OC)C5c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3C(OC4OC(C(O)C(N(C)C)C4)C)CC5(O)CC;CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O)[CH](C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3[CH]1C(=O)OC;CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1C(=O)OC)OC5CC(C(C(O5)C)O)N(C)C)O","InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1","aclacinomycin T","2014-11-14","2021-03-01","methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate","2015-07-29"],["M4R","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile","C22 H24 N4 O","N#Cc1cc(CC(NC)C)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C;CN[CH](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N;Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CC(C)NC)N","InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m1/s1","","2017-02-02","2017-04-28","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile","2017-05-03"],["M4S","4-methoxybenzenesulfonamide","C7 H9 N O3 S","COc1ccc(cc1)[S](N)(=O)=O;COc1ccc(cc1)S(=O)(=O)N","InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)","","2010-01-28","2011-06-04","4-methoxybenzenesulfonamide",""],["3VM","trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide","C28 H32 N6 O","O=C(NC(c3nccc(c1ccc2c(N)nnc2c1)c3)Cc4ccccc4)C5CCC(CN)CC5;NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)c3cc(ccn3)c4ccc5c(N)[nH]nc5c4;c1ccc(cc1)CC(c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN","InChI=1S/C28H32N6O/c29-17-19-6-8-20(9-7-19)28(35)32-26(14-18-4-2-1-3-5-18)25-16-22(12-13-31-25)21-10-11-23-24(15-21)33-34-27(23)30/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,32,35)(H3,30,33,34)/t19-,20-,26-/m0/s1","","2014-11-14","2015-01-23","trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide","2015-01-28"],["3VN","(2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid","C14 H30 N4 O4","O=C(O)C(N)(CCC(N)(C(=O)O)CCCCN)CCCCN;NCCCC[C](N)(CC[C](N)(CCCCN)C(O)=O)C(O)=O;C(CCN)CC(CCC(CCCCN)(C(=O)O)N)(C(=O)O)N","InChI=1S/C14H30N4O4/c15-9-3-1-5-13(17,11(19)20)7-8-14(18,12(21)22)6-2-4-10-16/h1-10,15-18H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1","bis-Lysine","2014-11-14","2021-03-01","(2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid (non-preferred name)","2016-02-17"],["M4T","~{N}-pyridin-3-ylethanamide","C7 H8 N2 O","CC(=O)Nc1cccnc1;CC(=O)Nc1cccnc1","InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10)","","2019-10-03","2020-02-28","~{N}-pyridin-3-ylethanamide","2020-03-04"],["3VO","(4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","C13 H14 F2 N2 O S","Fc1ccc(c(F)c1)C32N=C(SCC3CCOC2)N;NC1=N[C]2(COCC[CH]2CS1)c3ccc(F)cc3F;c1cc(c(cc1F)F)C23COCCC2CSC(=N3)N","InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1","","2014-11-17","2015-02-27","(4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","2015-03-04"],["M4U","(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one","C28 H28 F3 N5 O3","FC(F)(F)c1nn(C)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(Cc3cc(OC)cc(OC)c3)CCc12;COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3c5cn(C)nc5C(F)(F)F)C2=O)cc(OC)c1;Cc1nccn1Cc2cc(c3c(c2)C(=O)N(CC3)Cc4cc(cc(c4)OC)OC)c5cn(nc5C(F)(F)F)C","InChI=1S/C28H28F3N5O3/c1-17-32-6-8-35(17)14-19-11-23(25-16-34(2)33-26(25)28(29,30)31)22-5-7-36(27(37)24(22)12-19)15-18-9-20(38-3)13-21(10-18)39-4/h6,8-13,16H,5,7,14-15H2,1-4H3","","2022-03-14","2022-04-22","(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one","2022-04-27"],["M4V","2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one","C18 H13 Br N4 O","Brc4ccc(c2c(c1c(N=C(N)NC1=O)n2)c3ccccc3)cc4;NC1=Nc2[nH]c(c3ccc(Br)cc3)c(c4ccccc4)c2C(=O)N1;c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N","InChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24)","","2014-01-16","2015-01-16","2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2015-01-21"],["3VP","(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","C14 H15 F3 N2 O S","Fc1ccc(c(F)c1)C32N=C(SCC3CC(OC2)CF)N;NC1=N[C]2(CO[CH](CF)C[CH]2CS1)c3ccc(F)cc3F;c1cc(c(cc1F)F)C23COC(CC2CSC(=N3)N)CF","InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1","","2014-11-17","2015-02-27","(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","2015-03-04"],["M4X","5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide","C10 H8 N4 O","CNC(=O)c1cnn2ccc(cc12)C#N;CNC(=O)c1cnn2c1cc(cc2)C#N","InChI=1S/C10H8N4O/c1-12-10(15)8-6-13-14-3-2-7(5-11)4-9(8)14/h2-4,6H,1H3,(H,12,15)","","2022-07-22","2022-09-09","5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide","2022-09-14"],["3VQ","5-(pyridin-2-yl)thiophene-2-carboxamide","C10 H8 N2 O S","O=C(c2sc(c1ncccc1)cc2)N;NC(=O)c1sc(cc1)c2ccccn2;c1ccnc(c1)c2ccc(s2)C(=O)N","InChI=1S/C10H8N2OS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)","","2014-11-18","2015-07-10","5-(pyridin-2-yl)thiophene-2-carboxamide","2015-07-15"],["3VR","N-methyl-1-[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine","C12 H15 N3","n1cccn1Cc2ccc(cc2)CNC;CNCc1ccc(Cn2cccn2)cc1;CNCc1ccc(cc1)Cn2cccn2","InChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3","","2014-11-18","2015-07-10","N-methyl-1-[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine","2015-07-15"],["M4Y","parthenolide","C15 H20 O3","C1(=C)C(=O)OC2C3C(C)(CCC=C(C)CCC12)O3;CC1=CCC[C]2(C)O[CH]2[CH]3OC(=O)C(=C)[CH]3CC1;CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C","InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1","(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1\naH)-one","2019-03-25","2024-09-27","(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one","2019-06-26"],["M4Z","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide","C24 H36 N6 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)NCC)C2CCCCC2)CC3;CCNC(=O)CN[CH](C1CCCCC1)C(=O)N2CC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CCNC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C24H36N6O3/c1-2-27-20(31)15-28-21(17-6-4-3-5-7-17)24(33)30-13-12-19(30)23(32)29-14-16-8-10-18(11-9-16)22(25)26/h8-11,17,19,21,28H,2-7,12-15H2,1H3,(H3,25,26)(H,27,31)(H,29,32)/t19-,21+/m0/s1","","2012-09-14","2014-09-05","(2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(ethylamino)-2-oxoethyl]amino}acetyl]azetidine-2-carboxamide","2013-01-11"],["3VS","4-(1H-imidazol-1-yl)benzamide","C10 H9 N3 O","O=C(c1ccc(cc1)n2ccnc2)N;NC(=O)c1ccc(cc1)n2ccnc2;c1cc(ccc1C(=O)N)n2ccnc2","InChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14)","","2014-11-18","2015-07-02","4-(1H-imidazol-1-yl)benzamide","2015-07-07"],["3VT","[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid","C15 H15 B N2 O5","O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C;Cc1c(C)c2[CH](CC(O)=O)OB(O)c2cc1Oc3cnccn3;B1(c2cc(c(c(c2C(O1)CC(=O)O)C)C)Oc3cnccn3)O","InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1","","2014-11-19","2024-09-27","[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid","2015-08-05"],["M50","2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide","C13 H12 Cl N3 O","Cc1cnncc1NC(=O)Cc1cccc(Cl)c1;Cc1cnncc1NC(=O)Cc2cccc(Cl)c2;Cc1cnncc1NC(=O)Cc2cccc(c2)Cl","InChI=1S/C13H12ClN3O/c1-9-7-15-16-8-12(9)17-13(18)6-10-3-2-4-11(14)5-10/h2-5,7-8H,6H2,1H3,(H,15,17,18)","","2023-08-15","2023-11-03","2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide","2023-11-08"],["3VU","{(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid","C13 H14 B N3 O5 S","O=C(O)CC3OB(O)c2cc(Oc1nc(ns1)N)c(c(c23)C)C;Cc1c(C)c2[CH](CC(O)=O)OB(O)c2cc1Oc3snc(N)n3;B1(c2cc(c(c(c2C(O1)CC(=O)O)C)C)Oc3nc(ns3)N)O","InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1","","2014-11-19","2024-09-27","{(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid","2015-08-05"],["M51","{(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone","C22 H30 N6 O S","O=C(N1CCSC1)C5NCC(N4CCN(c3cc(nn3c2ccccc2)C)CC4)C5;Cc1cc(N2CCN(CC2)[CH]3CN[CH](C3)C(=O)N4CCSC4)n(n1)c5ccccc5;Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5","InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1","Teneligliptin","2011-11-08","2020-06-17","{(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone","2012-10-19"],["3VV","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)","C39 H68 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1","oleoyl-CoA","2014-11-19","2021-03-01","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)","2015-02-18"],["M52","N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide","C15 H17 Br N4 O4 S","O=S(=O)(c1cc(Br)cnc1N)N(CC(=O)Nc2ccc(OC)cc2)C;COc1ccc(NC(=O)CN(C)[S](=O)(=O)c2cc(Br)cnc2N)cc1;CN(CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br","InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)","","2013-09-04","2013-11-22","N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide","2013-11-27"],["M53","tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate","C23 H22 F3 N7 O4","O=C(Nc1nnn[NH]1)C1(NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(c2)C(F)(F)F)c2ccccc21;CC(C)(C)OC(=O)N[C]1(CN(C(=O)c2cccc(c2)C(F)(F)F)c3ccccc13)C(=O)Nc4[nH]nnn4;CC(C)(C)OC(=O)NC1(CN(c2c1cccc2)C(=O)c3cccc(c3)C(F)(F)F)C(=O)Nc4[nH]nnn4","InChI=1S/C23H22F3N7O4/c1-21(2,3)37-20(36)28-22(18(35)27-19-29-31-32-30-19)12-33(16-10-5-4-9-15(16)22)17(34)13-7-6-8-14(11-13)23(24,25)26/h4-11H,12H2,1-3H3,(H,28,36)(H2,27,29,30,31,32,35)/t22-/m0/s1","","2022-03-14","2023-03-10","tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate","2023-03-15"],["3VW","phenyl(piperidin-4-yl)methanone","C12 H15 N O","O=C(c1ccccc1)C2CCNCC2;O=C(C1CCNCC1)c2ccccc2;c1ccc(cc1)C(=O)C2CCNCC2","InChI=1S/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11,13H,6-9H2","","2014-11-20","2015-07-02","phenyl(piperidin-4-yl)methanone","2015-07-07"],["3VX","N-(1-oxo-1H-inden-5-yl)acetamide","C11 H9 N O2","O=C(Nc1cc2c(cc1)C(=O)C=C2)C;CC(=O)Nc1ccc2C(=O)C=Cc2c1;CC(=O)Nc1ccc2c(c1)C=CC2=O","InChI=1S/C11H9NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h2-6H,1H3,(H,12,13)","","2014-11-21","2015-07-02","N-(1-oxo-1H-inden-5-yl)acetamide","2015-07-07"],["M54","6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one","C25 H22 N4 O2","O=C5c3c2c(ccc(c1cnnc1)c2)c(cc3C(c4cccc(O)c4)=CN5)CCCN;NCCCc1cc2C(=CNC(=O)c2c3cc(ccc13)c4c[nH]nc4)c5cccc(O)c5;c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN","InChI=1S/C25H22N4O2/c26-8-2-4-17-11-22-23(16-3-1-5-19(30)9-16)14-27-25(31)24(22)21-10-15(6-7-20(17)21)18-12-28-29-13-18/h1,3,5-7,9-14,30H,2,4,8,26H2,(H,27,31)(H,28,29)","","2007-09-18","2011-06-04","6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one",""],["3VY","(1-methyl-1H-indol-3-yl)acetic acid","C11 H11 N O2","O=C(O)Cc2c1ccccc1n(c2)C;Cn1cc(CC(O)=O)c2ccccc12;Cn1cc(c2c1cccc2)CC(=O)O","InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)","","2014-11-21","2015-12-18","(1-methyl-1H-indol-3-yl)acetic acid","2015-12-23"],["M55","benzyl alpha-D-glucopyranuronate","C13 H16 O7","O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)OCc2ccccc2;c1ccc(cc1)COC(=O)C2C(C(C(C(O2)O)O)O)O","InChI=1S/C13H16O7/c14-8-9(15)11(20-12(17)10(8)16)13(18)19-6-7-4-2-1-3-5-7/h1-5,8-12,14-17H,6H2/t8-,9-,10+,11-,12-/m0/s1","Benzyl D-glucuronoate","2019-10-03","2020-07-17","(phenylmethyl) (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate","2019-11-27"],["3VZ","{6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid","C26 H27 N3 O2","O=C(O)Cc2c1ccc(cc1n(c2)Cc3ccc(cc3)C(C)C)c4cc(N)cc(N)c4;CC(C)c1ccc(Cn2cc(CC(O)=O)c3ccc(cc23)c4cc(N)cc(N)c4)cc1;CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O","InChI=1S/C26H27N3O2/c1-16(2)18-5-3-17(4-6-18)14-29-15-21(12-26(30)31)24-8-7-19(11-25(24)29)20-9-22(27)13-23(28)10-20/h3-11,13,15-16H,12,14,27-28H2,1-2H3,(H,30,31)","","2014-11-21","2015-12-18","{6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid","2015-12-23"],["M56","~{N}-methyl-1,3-benzothiazole-6-carboxamide","C9 H8 N2 O S","CNC(=O)c1ccc2ncsc2c1;CNC(=O)c1ccc2c(c1)scn2","InChI=1S/C9H8N2OS/c1-10-9(12)6-2-3-7-8(4-6)13-5-11-7/h2-5H,1H3,(H,10,12)","","2022-07-22","2022-09-09","~{N}-methyl-1,3-benzothiazole-6-carboxamide","2022-09-14"],["3W1","1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine","C11 H12 Cl N3","Clc1cn(nc1)Cc2ccc(cc2)CN;NCc1ccc(Cn2cc(Cl)cn2)cc1;c1cc(ccc1CN)Cn2cc(cn2)Cl","InChI=1S/C11H12ClN3/c12-11-6-14-15(8-11)7-10-3-1-9(5-13)2-4-10/h1-4,6,8H,5,7,13H2","","2014-11-21","2015-07-02","1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine","2015-07-07"],["M57","2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid","C19 H16 N8 O6 S","OC(=O)c1nc(oc1)c2ccc(cc2)NC(n3nc(nc3N)Nc4ccc(cc4)S(N)(=O)=O)=O;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccc(cc3)c4occ(n4)C(O)=O;c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N","InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26)","","2019-03-25","2020-03-20","2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid","2020-03-25"],["3W2","2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one","C22 H25 N5 O3","O=C4c5nn(cc5OC3(CCN(C(=O)c2ccc1nncc1c2)CC3)C4)C(C)(C)C;CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c4ccc5n[nH]cc5c4)CC(=O)c2n1;CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5","InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)","","2014-11-24","2015-01-09","2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one","2015-01-14"],["M58","(~{R})-azanyl(pyridin-3-yl)methanethiol","C6 H8 N2 S","N[CH](S)c1cccnc1;c1cc(cnc1)C(N)S","InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1","","2019-10-03","2020-02-28","(~{R})-azanyl(pyridin-3-yl)methanethiol","2020-03-04"],["3W3","4-(allyloxy)benzenesulfonamide","C9 H11 N O3 S","O=S(=O)(N)c1ccc(OCC=C)cc1;N[S](=O)(=O)c1ccc(OCC=C)cc1;C=CCOc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)","4-(prop-2-en-1-yloxy)benzenesulfonamide","2014-11-24","2021-03-01","4-(prop-2-en-1-yloxy)benzenesulfonamide","2015-04-22"],["M59","[(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol","C13 H17 N5 O","n1c(c2ncn(c2nc1)C4CC3(CO)CCC4C3)N;Nc1ncnc2n(cnc12)[CH]3C[C]4(CO)CC[CH]3C4;c1nc(c2c(n1)n(cn2)C3CC4(CCC3C4)CO)N","InChI=1S/C13H17N5O/c14-11-10-12(16-6-15-11)18(7-17-10)9-4-13(5-19)2-1-8(9)3-13/h6-9,19H,1-5H2,(H2,14,15,16)/t8-,9-,13-/m0/s1","","2015-02-19","2015-07-10","[(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol","2015-07-15"],["3W4","N-[(3R)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide","C27 H30 N2 O5 S","O=S5(=O)CCCC(NC(=O)c4ccc(Oc3ccc(C#CC2(O)C1CCN(CC1)C2)cc3)cc4)C5;O[C]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)N[CH]5CCC[S](=O)(=O)C5)cc3;c1cc(ccc1C#CC2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NC5CCCS(=O)(=O)C5","InChI=1S/C27H30N2O5S/c30-26(28-23-2-1-17-35(32,33)18-23)21-5-9-25(10-6-21)34-24-7-3-20(4-8-24)11-14-27(31)19-29-15-12-22(27)13-16-29/h3-10,22-23,31H,1-2,12-13,15-19H2,(H,28,30)/t23-,27+/m1/s1","","2011-11-11","2014-09-05","N-[(3R)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide",""],["M5A","(2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid","C14 H12 O3 S","O=C(c1ccc(cc1)C(C)C(O)=O)c2cccs2;C[CH](C(O)=O)c1ccc(cc1)C(=O)c2sccc2;CC(c1ccc(cc1)C(=O)c2cccs2)C(=O)O","InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m0/s1","(S)-Suprofen","2019-03-25","2021-03-01","(2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid","2020-01-15"],["3W5","N-[(3S)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide","C27 H30 N2 O5 S","O=S5(=O)CCCC(NC(=O)c4ccc(Oc3ccc(C#CC2(O)C1CCN(CC1)C2)cc3)cc4)C5;O[C]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)N[CH]5CCC[S](=O)(=O)C5)cc3;c1cc(ccc1C#CC2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NC5CCCS(=O)(=O)C5","InChI=1S/C27H30N2O5S/c30-26(28-23-2-1-17-35(32,33)18-23)21-5-9-25(10-6-21)34-24-7-3-20(4-8-24)11-14-27(31)19-29-15-12-22(27)13-16-29/h3-10,22-23,31H,1-2,12-13,15-19H2,(H,28,30)/t23-,27-/m0/s1","","2011-11-11","2014-09-05","N-[(3S)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide",""],["M5B","~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide","C7 H7 N3 O2 S2","O=[S](=O)(Nc1[nH]ccn1)c2sccc2;c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2","InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)","","2019-10-03","2020-02-28","~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide","2020-03-04"],["3W6","4-propoxybenzenesulfonamide","C9 H13 N O3 S","O=S(=O)(N)c1ccc(OCCC)cc1;CCCOc1ccc(cc1)[S](N)(=O)=O;CCCOc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H13NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)","","2014-11-24","2015-04-17","4-propoxybenzenesulfonamide","2015-04-22"],["M5C","DIMETHYL(1S,2S,4S,5S)-4-(2-AMINOETHOXY)-5-HYDROXYCYCLOHEXANE-1,2-DICARBOXYLATE","C12 H21 N O6","O=C(OC)C1CC(OCCN)C(O)CC1C(=O)OC;COC(=O)[CH]1C[CH](O)[CH](C[CH]1C(=O)OC)OCCN;COC(=O)C1CC(C(CC1C(=O)OC)OCCN)O","InChI=1S/C12H21NO6/c1-17-11(15)7-5-9(14)10(19-4-3-13)6-8(7)12(16)18-2/h7-10,14H,3-6,13H2,1-2H3/t7-,8-,9-,10-/m0/s1","","2010-09-10","2018-01-19","dimethyl (1S,2S,4S,5S)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate","2018-01-24"],["3W7","1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one","C22 H25 N5 O2","O=C2c1c(cnn1C(C)C)CC5(C2)CCN(C(=O)c3cc4cnnc4cc3)CC5;CC(C)n1ncc2CC3(CCN(CC3)C(=O)c4ccc5n[nH]cc5c4)CC(=O)c12;CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O","InChI=1S/C22H25N5O2/c1-14(2)27-20-17(13-24-27)10-22(11-19(20)28)5-7-26(8-6-22)21(29)15-3-4-18-16(9-15)12-23-25-18/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,23,25)","","2014-11-24","2014-12-05","1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one","2014-12-10"],["M5D","5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile","C19 H23 N7 O","c1(nc(cnc1C#N)N2CC(N(CC2)C(C3C(C3)C)=O)C)c4cnn(C)c4;C[CH]1C[CH]1C(=O)N2CCN(C[CH]2C)c3cnc(C#N)c(n3)c4cnn(C)c4;CC1CC1C(=O)N2CCN(CC2C)c3cnc(c(n3)c4cnn(c4)C)C#N","InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1","","2019-03-26","2019-12-06","5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile","2019-12-11"],["3W8","4-ethoxybenzenesulfonamide","C8 H11 N O3 S","O=S(=O)(N)c1ccc(OCC)cc1;CCOc1ccc(cc1)[S](N)(=O)=O;CCOc1ccc(cc1)S(=O)(=O)N","InChI=1S/C8H11NO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)","","2014-11-24","2015-04-17","4-ethoxybenzenesulfonamide","2015-04-22"],["M5E","(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol","C11 H15 N O","O[CH]([CH]1CCCN1)c2ccccc2;c1ccc(cc1)C(C2CCCN2)O","InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1","","2019-10-03","2020-02-28","(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol","2020-03-04"],["3W9","4-(diethylamino)benzaldehyde","C11 H15 N O","O=Cc1ccc(N(CC)CC)cc1;CCN(CC)c1ccc(C=O)cc1;CCN(CC)c1ccc(cc1)C=O","InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3","","2014-11-24","2024-09-27","4-(diethylamino)benzaldehyde","2015-01-14"],["M5F","1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione","C7 H11 F N4 O2","FC1=CN(C(=O)NC1=O)CC(N)CN;NC[CH](N)CN1C=C(F)C(=O)NC1=O;C1=C(C(=O)NC(=O)N1CC(CN)N)F","InChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m0/s1","","2014-07-18","2015-07-24","1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione","2015-07-29"],["3WA","4-aminopyrido[2,3-d]pyrimidin-5(8H)-one","C7 H6 N4 O","O=C2c1c(ncnc1N)NC=C2;Nc1ncnc2NC=CC(=O)c12;c1nc(c2c(n1)NC=CC2=O)N","InChI=1S/C7H6N4O/c8-6-5-4(12)1-2-9-7(5)11-3-10-6/h1-3H,(H3,8,9,10,11,12)","","2014-11-25","2014-12-19","4-aminopyrido[2,3-d]pyrimidin-5(8H)-one","2014-12-24"],["M5H","3-imidazolidin-2-yl-2~{H}-indazole","C10 H12 N4","C1CNC(N1)c2[nH]nc3ccccc23;c1ccc2c(c1)c([nH]n2)C3NCCN3","InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)","","2019-10-03","2020-02-28","3-imidazolidin-2-yl-2~{H}-indazole","2020-03-04"],["3WB","(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium","C40 H26 N12 Ru","n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)cc(cc7C)C)cccn89)nccc(nccn)cccncc;[Ru].Cc1cc(C)c2nc3c4cccnc4c5ncccc5c3nc2c1.c6cnc7c(ccc8nccnc78)n6.c9cncc(cccnccnc)n9;Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C","InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-12(2)16-15(10-11)23-19-13-5-3-7-21-17(13)18-14(20(19)24-16)6-4-8-22-18;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3-10H,1-2H3;2*1-6H;","","2014-11-25","2015-05-08","(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium","2015-05-13"],["M5I","N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide","C14 H13 Cl N2 O","O=C(Cc1cnccc1C)Nc1cccc(Cl)c1;Cc1ccncc1CC(=O)Nc2cccc(Cl)c2;Cc1ccncc1CC(=O)Nc2cccc(c2)Cl","InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-11(10)7-14(18)17-13-4-2-3-12(15)8-13/h2-6,8-9H,7H2,1H3,(H,17,18)","","2023-08-15","2023-11-03","N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["M5J","1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one","C15 H20 F N O","c2cc(cc(C1N(CCC1)C(C(C)(C)C)=O)c2)F;CC(C)(C)C(=O)N1CCC[CH]1c2cccc(F)c2;CC(C)(C)C(=O)N1CCCC1c2cccc(c2)F","InChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1","","2019-03-26","2019-05-03","1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one","2019-05-08"],["3WC","4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE","C14 H17 N3","n1c3c(c(cc1N2CCNCC2)C)cccc3;Cc1cc(nc2ccccc12)N3CCNCC3;Cc1cc(nc2c1cccc2)N3CCNCC3","InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3","","2013-03-01","2014-09-05","4-methyl-2-(piperazin-1-yl)quinoline","2013-04-03"],["M5K","4-METHYLQUINOLIN-2-AMINE","C10 H10 N2","Cc1cc(N)nc2ccccc12;Cc1cc(nc2c1cccc2)N","InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12)","","2016-06-18","2016-09-16","4-methylquinolin-2-amine","2016-09-21"],["3WD","2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","C39 H62 N6 O6 S","O=C(NC(c1nccs1)Cc2ccccc2)C(C)C(OC)C3N(C(=O)CC(OC)C(N(C(=O)C(NC(=O)C(N)(C)C)C(C)C)C)C(C)CC)CCC3;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)c3sccn3)OC)N(C)C(=O)[CH](NC(=O)C(C)(C)N)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C)N","InChI=1S/C39H62N6O6S/c1-11-25(4)33(44(8)37(48)32(24(2)3)43-38(49)39(6,7)40)30(50-9)23-31(46)45-20-15-18-29(45)34(51-10)26(5)35(47)42-28(36-41-19-21-52-36)22-27-16-13-12-14-17-27/h12-14,16-17,19,21,24-26,28-30,32-34H,11,15,18,20,22-23,40H2,1-10H3,(H,42,47)(H,43,49)/t25-,26+,28-,29-,30+,32-,33-,34+/m0/s1","","2014-12-01","2015-03-20","2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2015-03-25"],["3WE","(2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one","C15 H14 Br N5 O","Brc2c1ccccc1n3c2C(=O)N5C4(NC(=[N@H])NC34)CCC5;Brc1c2ccccc2n3[CH]4NC(=N)N[C]45CCCN5C(=O)c13;c1ccc2c(c1)c(c3n2C4C5(CCCN5C3=O)NC(=N)N4)Br","InChI=1S/C15H14BrN5O/c16-10-8-4-1-2-5-9(8)21-11(10)12(22)20-7-3-6-15(20)13(21)18-14(17)19-15/h1-2,4-5,13H,3,6-7H2,(H3,17,18,19)/t13-,15+/m0/s1","","2014-11-25","2014-12-05","(2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one","2014-12-10"],["M5L","6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine","C14 H21 F2 N3","Cc1cc(CCCN2CCC(F)(F)CC2)nc(N)c1;Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1;Cc1cc(nc(c1)N)CCCN2CCC(CC2)(F)F","InChI=1S/C14H21F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,2-8H2,1H3,(H2,17,18)","","2022-03-14","2022-07-08","6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine","2022-07-13"],["M5M","2'-(N-ACETAMIDE)-CYTIDINE-5'-MONOPHOSPHATE","C11 H17 N4 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2NC(=O)C)COP(=O)(O)O;CC(=O)N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;CC(=O)NC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C11H17N4O8P/c1-5(16)13-8-9(17)6(4-22-24(19,20)21)23-10(8)15-3-2-7(12)14-11(15)18/h2-3,6,8-10,17H,4H2,1H3,(H,13,16)(H2,12,14,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1","","2005-03-17","2011-06-04","2'-(acetylamino)-2'-deoxycytidine 5'-(dihydrogen phosphate)",""],["3WF","Ethinyl estradiol","C20 H24 O2","Oc1cc4c(cc1)C3CCC2(C(CCC2(C#C)O)C3CC4)C;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C#C;CC12CCC3c4ccc(cc4CCC3C1CCC2(C#C)O)O","InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1","","2014-11-26","2015-09-04","(9beta,13alpha,14beta,17alpha)-17-ethynylestra-1(10),2,4-triene-3,17-diol","2015-09-09"],["3WG","Trans-nonachlor","C10 H5 Cl9","ClC2=C(Cl)C3(Cl)C1C(Cl)C(Cl)C(Cl)C1C2(Cl)C3(Cl)Cl;Cl[CH]1[CH](Cl)[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl;C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5-,8+,9-","","2014-11-26","2015-09-04","(1R,2r,3S,3aR,4S,7R,7aS)-1,2,3,4,5,6,7,8,8-nonachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene","2015-09-09"],["M5N","4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one","C11 H16 N2 O","CC(C)C1=NC(=O)N=C2CCCC[CH]12;CC(C)C1=NC(=O)N=C2C1CCCC2","InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1","","2019-10-03","2020-02-28","4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one","2020-03-04"],["M5O","(2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol","C15 H14 O6","O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3;c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O","InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1","(-)-catechin","2022-07-22","2023-08-25","(2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol","2023-08-30"],["3WH","N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide","C20 H23 I N6 O","O=C(NCC)N4CCC(Nc3nc(c2c1ccccc1nc2)c(I)cn3)CC4;CCNC(=O)N1CCC(CC1)Nc2ncc(I)c(n2)c3c[nH]c4ccccc34;CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I","InChI=1S/C20H23IN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)","","2014-11-26","2015-11-06","N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide","2015-11-11"],["M5P","(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID","C12 H16 O2 S","O=C(O)C(CCCc1ccccc1)CS;OC(=O)[CH](CS)CCCc1ccccc1;c1ccc(cc1)CCCC(CS)C(=O)O","InChI=1S/C12H16O2S/c13-12(14)11(9-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,13,14)/t11-/m1/s1","","2007-05-11","2011-06-04","(2S)-5-phenyl-2-(sulfanylmethyl)pentanoic acid",""],["3WJ","4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one","C13 H11 N5 O","O=C2c1c(ncnc1N)N(C=C2)c3ccc(N)cc3;Nc1ccc(cc1)N2C=CC(=O)c3c(N)ncnc23;c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N","InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-6-5-10(19)11-12(15)16-7-17-13(11)18/h1-7H,14H2,(H2,15,16,17)","","2014-11-26","2015-10-23","4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one","2015-10-28"],["3WK","4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one","C13 H11 N5 O","O=C1c2c(ncnc2N=CC1)Nc3ccc(N)cc3;Nc1ccc(Nc2ncnc3N=CCC(=O)c23)cc1;c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O","InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-13-11-10(19)5-6-15-12(11)16-7-17-13/h1-4,6-7H,5,14H2,(H,16,17,18)","","2014-11-26","2015-08-07","4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one","2015-08-12"],["M5Q","[(1S)-1-[(2S,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]ethyl] dihydrogen phosphate","C11 H18 N3 O8 P","CO[CH]1[CH](O)[CH](O[CH]1N2C=CC(=NC2=O)N)[CH](C)O[P](O)(O)=O;CC(C1C(C(C(O1)N2C=CC(=NC2=O)N)OC)O)OP(=O)(O)O","InChI=1S/C11H18N3O8P/c1-5(22-23(17,18)19)8-7(15)9(20-2)10(21-8)14-4-3-6(12)13-11(14)16/h3-5,7-10,15H,1-2H3,(H2,12,13,16)(H2,17,18,19)/t5-,7+,8+,9+,10+/m0/s1","","2022-12-15","2025-11-07","[(1~{S})-1-[(2~{S},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]ethyl] dihydrogen phosphate","2025-11-12"],["3WL","5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one","C15 H10 O5","O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2;Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3;c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2","InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","Baicalein","2014-11-27","2020-06-17","5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one","2015-09-16"],["M5R","5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","C17 H24 F N3 O4 S","O=C1CN(c2c(F)c3CC(NCCC(C)C)CCc3cc2O)S(=O)(=O)N1;CC(C)CCN[CH]1CCc2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2C1;CC(C)CCNC1CCc2cc(c(c(c2C1)F)N3CC(=O)NS3(=O)=O)O","InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1","","2022-03-14","2023-07-21","5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","2023-07-26"],["3WM","(1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol","C39 H76 O5","OC(OC(COC(O)CCCCCCC=C/CCCCCCCCC)CO)CCCCCC/C=C/CCCCCCCCC;CCCCCCCCCC=CCCCCCC[CH](O)OC[CH](CO)O[CH](O)CCCCCCC=CCCCCCCCCC;CCCCCCCCCC=CCCCCCCC(O)OCC(CO)OC(CCCCCCC=CCCCCCCCCC)O","InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22,37-42H,3-18,23-36H2,1-2H3/b21-19-,22-20+/t37-,38+,39-/m0/s1","","2014-01-29","2014-05-09","(1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol","2014-05-14"],["M5T","5-Methyluridine triphosphate","C10 H17 N2 O15 P3","C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)C2C(C(C(N1C=C(C)C(NC1=O)=O)O2)O)O;CC1=CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1","","2016-09-28","2018-05-04","5-methyluridine 5'-(tetrahydrogen triphosphate)","2018-05-09"],["3WN","4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one","C13 H11 N5 O","O=C3c1c(ncnc1Nc2cccc(N)c2)NC=C3;Nc1cccc(Nc2ncnc3NC=CC(=O)c23)c1;c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N","InChI=1S/C13H11N5O/c14-8-2-1-3-9(6-8)18-13-11-10(19)4-5-15-12(11)16-7-17-13/h1-7H,14H2,(H2,15,16,17,18,19)","","2014-11-27","2014-12-19","4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one","2014-12-24"],["M5U","dimethyl 2,2'-((12Z,122Z,4S,6Z,8E,10E,15S,17Z,19E,21E)-2,13-dioxo-3,14-dioxa-1(4,2),12(2,4)-dioxazolacyclodocosaphane-6,8,10,17,19,21-hexaene-4,15-diyl)(2S,2'S,3S,3'S,4E,4'E)-bis(3-hydroxyhex-4-enoate)","C38 H42 N2 O12","COC(=O)[CH]([CH](O)C=CC)[CH]1CC=CC=CC=Cc2occ(n2)C(=O)O[CH](CC=CC=CC=Cc3occ(n3)C(=O)O1)[CH]([CH](O)C=CC)C(=O)OC;CC=CC(C(C1CC=CC=CC=Cc2nc(co2)C(=O)OC(CC=CC=CC=Cc3nc(co3)C(=O)O1)C(C(C=CC)O)C(=O)OC)C(=O)OC)O","InChI=1S/C38H42N2O12/c1-5-17-27(41)33(37(45)47-3)29-19-13-9-7-11-15-22-32-40-26(24-50-32)36(44)52-30(34(38(46)48-4)28(42)18-6-2)20-14-10-8-12-16-21-31-39-25(23-49-31)35(43)51-29/h5-18,21-24,27-30,33-34,41-42H,19-20H2,1-4H3/b11-7+,12-8+,13-9-,14-10-,17-5+,18-6+,21-16+,22-15+/t27-,28-,29-,30-,33-,34-/m0/s1","methyl (E,2S,3S)-2-[(4S,6Z,8E,10E,18S,20Z,22E,24E)-18-[(E,2S,3S)-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate","2022-07-22","2022-11-11","methyl (~{E},2~{S},3~{S})-2-[(4~{S},6~{Z},8~{E},10~{E},18~{S},20~{Z},22~{E},24~{E})-18-[(~{E},2~{S},3~{S})-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate","2022-11-16"],["M5V","4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile","C21 H17 Cl N6","C1N(C2CC1N(C2)c3cc(ccc3)Cl)c5nc(c4cnccc4)ncc5C#N;Clc1cccc(c1)N2C[CH]3C[CH]2CN3c4nc(ncc4C#N)c5cccnc5;c1cc(cc(c1)Cl)N2CC3CC2CN3c4c(cnc(n4)c5cccnc5)C#N","InChI=1S/C21H17ClN6/c22-16-4-1-5-17(7-16)27-12-19-8-18(27)13-28(19)21-15(9-23)11-25-20(26-21)14-3-2-6-24-10-14/h1-7,10-11,18-19H,8,12-13H2/t18-,19-/m0/s1","","2019-03-26","2019-12-06","4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile","2019-12-11"],["3WO","4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one","C13 H11 N5 O","O=C1c2c(ncnc2N=CC1)Nc3cccc(N)c3;Nc1cccc(Nc2ncnc3N=CCC(=O)c23)c1;c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N","InChI=1S/C13H11N5O/c14-8-2-1-3-9(6-8)18-13-11-10(19)4-5-15-12(11)16-7-17-13/h1-3,5-7H,4,14H2,(H,16,17,18)","","2014-11-27","2014-12-19","4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one","2014-12-24"],["3WP","(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","C11 H12 F2 N2 S","Fc1ccc(c(F)c1)C2(N=C(SCC2)N)C;C[C]1(CCSC(=N1)N)c2ccc(F)cc2F;CC1(CCSC(=N1)N)c2ccc(cc2F)F","InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1","","2014-11-28","2015-02-27","(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","2015-03-04"],["M5W","5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide","C15 H20 N4 O2","COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C;CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N","InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20)","","2019-10-03","2019-11-29","5-azanyl-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide","2019-12-04"],["3WQ","1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone","C20 H21 N O4 S","O=S(=O)(c3ccccc3c1cc(C(=O)C)n2c1cc(OCCC)cc2)C;CCCOc1ccn2c(cc(c2c1)c3ccccc3[S](C)(=O)=O)C(C)=O;CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C","InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3","","2014-11-28","2014-12-05","1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone","2014-12-10"],["M5X","(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide","C8 H8 N2 O4 S","NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O;N[S](=O)(=O)c1ccc2NC(=O)[CH](O)c2c1;c1cc2c(cc1S(=O)(=O)N)C(C(=O)N2)O","InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1","","2023-08-15","2024-09-27","(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide","2023-11-08"],["3WR","1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea","C21 H14 F4 N6 O2","FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc2ccc(cc2)N4c3ncnc(c3C(=O)C=C4)N;Nc1ncnc2N(C=CC(=O)c12)c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3;c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N","InChI=1S/C21H14F4N6O2/c22-14-6-1-11(21(23,24)25)9-15(14)30-20(33)29-12-2-4-13(5-3-12)31-8-7-16(32)17-18(26)27-10-28-19(17)31/h1-10H,(H2,26,27,28)(H2,29,30,33)","","2014-12-01","2014-12-19","1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea","2014-12-24"],["M5Y","1-(2,4-difluorophenyl)methanamine","C7 H7 F2 N","C(c1ccc(F)cc1F)N;NCc1ccc(F)cc1F;c1cc(c(cc1F)F)CN","InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2","","2019-03-26","2019-10-04","1-(2,4-difluorophenyl)methanamine","2019-10-09"],["3WS","N,2-dimethyl-L-alanine","C5 H11 N O2","O=C(O)C(NC)(C)C;CNC(C)(C)C(O)=O;CC(C)(C(=O)O)NC","InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)","","2014-12-01","2024-09-27","N,2-dimethyl-L-alanine","2015-03-25"],["M5Z","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside","C32 H53 N5 O14","O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)CCc6ccccc6;NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH]5CO[CH](CCc6ccccc6)O[CH]5[CH](O)[CH]4N)[CH]2O)[CH](N)[CH](O)[CH]1O;c1ccc(cc1)CCC2OCC3C(O2)C(C(C(O3)OC4C(CC(C(C4OC5C(C(C(O5)CO)OC6C(C(C(C(O6)CN)O)O)N)O)O)N)N)N)O","InChI=1S/C32H53N5O14/c33-9-15-22(40)23(41)19(36)30(45-15)50-27-16(10-38)46-32(25(27)43)51-29-21(39)13(34)8-14(35)26(29)49-31-20(37)24(42)28-17(47-31)11-44-18(48-28)7-6-12-4-2-1-3-5-12/h1-5,13-32,38-43H,6-11,33-37H2/t13-,14+,15+,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1","","2012-07-26","2013-08-02","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside","2013-08-07"],["3WT","(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid","C10 H21 N O3","O=C(O)CC(OC)C(NC)C(C)CC;CC[CH](C)[CH](NC)[CH](CC(O)=O)OC;CCC(C)C(C(CC(=O)O)OC)NC","InChI=1S/C10H21NO3/c1-5-7(2)10(11-3)8(14-4)6-9(12)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)/t7-,8+,10-/m0/s1","","2014-12-01","2024-09-27","(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid","2015-03-25"],["M60","(4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(3S)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid","C32 H41 N5 O11","O=C(NCCc1ccccc1)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CCC(=O)O)C(C)C)CC(=O)O;CC(C)[CH](NC(=O)[CH](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCCc2ccccc2;CC(C)C(C(=O)NN(CC(=O)O)C(=O)CC(C(=O)NCCc1ccccc1)O)NC(=O)C(CCC(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C32H41N5O11/c1-20(2)28(35-29(44)23(13-14-26(40)41)34-32(47)48-19-22-11-7-4-8-12-22)31(46)36-37(18-27(42)43)25(39)17-24(38)30(45)33-16-15-21-9-5-3-6-10-21/h3-12,20,23-24,28,38H,13-19H2,1-2H3,(H,33,45)(H,34,47)(H,35,44)(H,36,46)(H,40,41)(H,42,43)/t23-,24-,28-/m0/s1","Cbz-GLU-VAL-azaASP-(S,S)EP-CO-NHCH2CH2Ph","2010-11-08","2023-09-18","(5S,8S)-5-(2-carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-3,6,9-trioxo-1-phenyl-8-(propan-2-yl)-2-oxa-4,7,10,11-tetraazatridecan-13-oic acid (non-preferred name)",""],["3WU","(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid","C9 H17 N O3","O=C(O)C(C(OC)C1NCCC1)C;CO[CH]([CH](C)C(O)=O)[CH]1CCCN1;CC(C(C1CCCN1)OC)C(=O)O","InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m1/s1","","2014-12-01","2024-09-27","(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid","2015-03-25"],["M61","N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide","C28 H32 N6 O5 S","O=C4c1cc(ccc1C=Cc5ncc(c2cn(nc2)C3CCNCC3)cc45)NS(=O)(=O)N(CC6OCCOC6)C;CN(C[CH]1COCCO1)[S](=O)(=O)Nc2ccc3C=Cc4ncc(cc4C(=O)c3c2)c5cnn(c5)C6CCNCC6;CN(CC1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6","InChI=1S/C28H32N6O5S/c1-33(17-24-18-38-10-11-39-24)40(36,37)32-22-4-2-19-3-5-27-26(28(35)25(19)13-22)12-20(14-30-27)21-15-31-34(16-21)23-6-8-29-9-7-23/h2-5,12-16,23-24,29,32H,6-11,17-18H2,1H3/t24-/m1/s1","","2011-03-23","2013-01-03","N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide",""],["3WV","N,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","C38 H63 N5 O8","O=C(N2C(C(OC)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(NC)(C)C)C(C)C)C)C(C)CC;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O)OC)N(C)C(=O)[CH](NC(=O)C(C)(C)NC)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C)NC","InChI=1S/C38H63N5O8/c1-12-24(4)32(42(9)35(46)31(23(2)3)41-37(49)38(6,7)39-8)29(50-10)22-30(44)43-20-16-19-28(43)33(51-11)25(5)34(45)40-27(36(47)48)21-26-17-14-13-15-18-26/h13-15,17-18,23-25,27-29,31-33,39H,12,16,19-22H2,1-11H3,(H,40,45)(H,41,49)(H,47,48)/t24-,25+,27-,28-,29+,31-,32-,33+/m0/s1","","2014-12-01","2015-03-20","N,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2015-03-25"],["M62","7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine","C16 H14 F N3","n1c2c(ccc1N)ccc(c2)CNc3cc(ccc3)F;Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1;c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N","InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20)","","2017-05-23","2017-08-11","7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine","2017-08-16"],["3WW","(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine","C11 H12 N2 S","n1ccsc1C(N)Cc2ccccc2;N[CH](Cc1ccccc1)c2sccn2;c1ccc(cc1)CC(c2nccs2)N","InChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2/t10-/m0/s1","","2014-12-01","2015-03-20","(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine","2015-03-25"],["M63","(6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide","C42 H49 Cl N8 O6 S","NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCC(=O)Nc4ccc(CC(NS(=O)(=O)c5cccc(Cl)c5)C(=O)N1)cc4)CC3)cc2;NCc1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)c6cccc(Cl)c6)C(=O)N2)cc5)cc3)cc1;c1cc(cc(c1)Cl)S(=O)(=O)NC2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)CC(NC2=O)C(=O)NCc6ccc(cc6)CN)CC4","InChI=1S/C42H49ClN8O6S/c43-33-2-1-3-36(26-33)58(56,57)49-38-25-30-10-14-35(15-11-30)47-40(53)17-19-51-22-20-50(21-23-51)18-16-39(52)46-34-12-8-29(9-13-34)24-37(48-42(38)55)41(54)45-28-32-6-4-31(27-44)5-7-32/h1-15,26,37-38,49H,16-25,27-28,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t37-,38+/m0/s1","","2022-03-14","2023-03-10","(6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide","2023-03-15"],["3WX","2-methyl-L-proline","C6 H11 N O2","O=C(O)C1(NCCC1)C;C[C]1(CCCN1)C(O)=O;CC1(CCCN1)C(=O)O","InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1","","2014-12-01","2024-09-27","2-methyl-L-proline","2015-03-25"],["M64","(2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid","C10 H18 N2 O3","C1CCN(C(C)C1)C(CC(C(=O)O)N)=O;C[CH]1CCCCN1C(=O)C[CH](N)C(O)=O;CC1CCCCN1C(=O)CC(C(=O)O)N","InChI=1S/C10H18N2O3/c1-7-4-2-3-5-12(7)9(13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8-/m0/s1","","2019-03-26","2019-10-04","(2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid","2019-10-09"],["3WY","2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","C39 H63 N5 O8","O=C(N2C(C(OC)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C3(NCCC3)C)C(C)C)C)C(C)CC;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O)OC)N(C)C(=O)[CH](NC(=O)[C]3(C)CCCN3)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C3(CCCN3)C","InChI=1S/C39H63N5O8/c1-10-25(4)33(43(7)36(47)32(24(2)3)42-38(50)39(6)19-15-20-40-39)30(51-8)23-31(45)44-21-14-18-29(44)34(52-9)26(5)35(46)41-28(37(48)49)22-27-16-12-11-13-17-27/h11-13,16-17,24-26,28-30,32-34,40H,10,14-15,18-23H2,1-9H3,(H,41,46)(H,42,50)(H,48,49)/t25-,26+,28-,29-,30+,32-,33-,34+,39-/m0/s1","","2014-12-01","2015-03-20","2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2015-03-25"],["M65","ethyl 7-imidazol-1-ylheptanoate","C12 H20 N2 O2","CCOC(=O)CCCCCCn1ccnc1;CCOC(=O)CCCCCCn1ccnc1","InChI=1S/C12H20N2O2/c1-2-16-12(15)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-11H,2-7,9H2,1H3","","2019-10-03","2020-10-09","ethyl 7-imidazol-1-ylheptanoate","2020-10-14"],["3WZ","2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","C37 H61 N5 O8","O=C(N2C(C(OC)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(N)(C)C)C(C)C)C)C(C)CC;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O)OC)N(C)C(=O)[CH](NC(=O)C(C)(C)N)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C)N","InChI=1S/C37H61N5O8/c1-11-23(4)31(41(8)34(45)30(22(2)3)40-36(48)37(6,7)38)28(49-9)21-29(43)42-19-15-18-27(42)32(50-10)24(5)33(44)39-26(35(46)47)20-25-16-13-12-14-17-25/h12-14,16-17,22-24,26-28,30-32H,11,15,18-21,38H2,1-10H3,(H,39,44)(H,40,48)(H,46,47)/t23-,24+,26-,27-,28+,30-,31-,32+/m0/s1","","2014-12-01","2015-03-20","2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2015-03-25"],["M66","(1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide","C40 H58 N6 O6","CCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)N[CH](CN3CCCCC3=O)C(C)(C)C)C4Cc5ccccc5C4)C2(C)C)C(=O)C(=O)NCC=C;CCCC(C(=O)C(=O)NCC=C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3Cc4ccccc4C3)NC(=O)NC(CN5CCCCC5=O)C(C)(C)C","InChI=1S/C40H58N6O6/c1-8-14-28(34(48)36(50)41-18-9-2)42-35(49)33-31-27(40(31,6)7)22-46(33)37(51)32(26-20-24-15-10-11-16-25(24)21-26)44-38(52)43-29(39(3,4)5)23-45-19-13-12-17-30(45)47/h9-11,15-16,26-29,31-33H,2,8,12-14,17-23H2,1,3-7H3,(H,41,50)(H,42,49)(H2,43,44,52)/t27-,28-,29+,31-,32-,33-/m0/s1","","2010-01-04","2024-09-27","(1R,2S,5S)-3-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]ethanoyl]-N-[(3S)-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide",""],["3X0","(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine","C18 H17 Cl N4","Clc4ccc(N3c1c(cccc1)n2c(nnc2C(C3)C)C)cc4;C[CH]1CN(c2ccc(Cl)cc2)c3ccccc3n4c(C)nnc14;Cc1nnc2n1-c3ccccc3N(CC2C)c4ccc(cc4)Cl","InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)16-5-3-4-6-17(16)23-13(2)20-21-18(12)23/h3-10,12H,11H2,1-2H3/t12-/m1/s1","","2014-12-02","2015-11-06","(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine","2015-11-11"],["M67","(2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE","C25 H38 N6 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)NCCC)C2CCCCC2)CC3;CCCNC(=O)CN[CH](C1CCCCC1)C(=O)N2CC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CCCNC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C25H38N6O3/c1-2-13-28-21(32)16-29-22(18-6-4-3-5-7-18)25(34)31-14-12-20(31)24(33)30-15-17-8-10-19(11-9-17)23(26)27/h8-11,18,20,22,29H,2-7,12-16H2,1H3,(H3,26,27)(H,28,32)(H,30,33)/t20-,22+/m0/s1","","2012-09-14","2014-09-05","(2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide","2013-01-11"],["3X1","(2E)-dodec-2-enoic acid","C12 H22 O2","O=C(O)/C=C/CCCCCCCCC;CCCCCCCCCC=CC(O)=O;CCCCCCCCCC=CC(=O)O","InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+","","2014-12-02","2014-12-19","(2E)-dodec-2-enoic acid","2014-12-24"],["M68","7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine","C19 H20 Cl N3","Clc1cccc(c1)CCNCCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1;c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N","InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)","","2013-10-08","2014-09-05","7-(2-{[2-(3-chlorophenyl)ethyl]amino}ethyl)quinolin-2-amine","2014-02-19"],["3X2","2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid","C17 H12 Cl N3 O2 S","O=C(O)c3c(/C=N/Nc1nc(cs1)c2ccccc2Cl)cccc3;OC(=O)c1ccccc1C=NNc2scc(n2)c3ccccc3Cl;c1ccc(c(c1)C=NNc2nc(cs2)c3ccccc3Cl)C(=O)O","InChI=1S/C17H12ClN3O2S/c18-14-8-4-3-7-13(14)15-10-24-17(20-15)21-19-9-11-5-1-2-6-12(11)16(22)23/h1-10H,(H,20,21)(H,22,23)/b19-9+","","2013-08-01","2014-07-18","2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid","2014-07-23"],["M69","5-(4-chlorophenyl)-2-(hydroxymethylene)cyclohexane-1,3-dione","C13 H11 Cl O3","Clc1ccc(cc1)C1CC(=O)/C(=CO)C(=O)C1;O[CH]=[C]1C(=O)C[CH](CC1=O)c2ccc(Cl)cc2;c1cc(ccc1C2CC(=O)C(=CO)C(=O)C2)Cl","InChI=1S/C13H11ClO3/c14-10-3-1-8(2-4-10)9-5-12(16)11(7-15)13(17)6-9/h1-4,7,9,15H,5-6H2/b11-7-/t9-/m0/s1","","2023-05-05","2025-07-29","(2seqTrans,5S)-5-(4-chlorophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione","2023-06-14"],["3X3","5-[2-(FURAN-2-YLMETHOXY)PHENYL]-2-PHENYLTETRAZOLE","C18 H14 N4 O2","O(c3c(c1nn(nn1)c2ccccc2)cccc3)Cc4occc4;C(Oc1ccccc1c2nnn(n2)c3ccccc3)c4occc4;c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4","InChI=1S/C18H14N4O2/c1-2-7-14(8-3-1)22-20-18(19-21-22)16-10-4-5-11-17(16)24-13-15-9-6-12-23-15/h1-12H,13H2","","2013-05-18","2014-09-05","5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyl-2H-tetrazole","2013-09-18"],["M6A","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate","C33 H57 N5 O10","CNC(NC(=N)NCCNC(OC2C(C)C(OC(CC)C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)=O)=O)=O;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH]2OC(C)(C)O[CH]([CH]2C)[C]1(C)O;CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)OC(O2)(C)C)C)(C)O","InChI=1S/C33H57N5O10/c1-12-16-44-25-20(5)24(46-30(41)37-15-14-36-28(34)38-29(40)35-11)21(6)27(39)45-22(13-2)33(10,43)26-19(4)23(47-31(7,8)48-26)18(3)17-32(25,9)42/h1,18-26,42-43H,13-17H2,2-11H3,(H,37,41)(H4,34,35,36,38,40)/t18-,19+,20+,21-,22-,23+,24+,25-,26-,32-,33-/m1/s1","","2015-04-16","2015-06-26","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate (non-preferred name)","2015-07-01"],["3X4","N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine","C20 H26 N4 O6","C(C(NCCCCC(C(O)=O)N)=O)(NC(=O)CN2C(=O)c1ccccc1C2=O)(C)C;CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCCCC[CH](N)C(O)=O;CC(C)(C(=O)NCCCCC(C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O","InChI=1S/C20H26N4O6/c1-20(2,19(30)22-10-6-5-9-14(21)18(28)29)23-15(25)11-24-16(26)12-7-3-4-8-13(12)17(24)27/h3-4,7-8,14H,5-6,9-11,21H2,1-2H3,(H,22,30)(H,23,25)(H,28,29)/t14-/m1/s1","","2014-12-02","2015-11-06","N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine","2015-11-11"],["M6B","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate","C34 H59 N5 O10","CNC(NC(=N)NCCCNC(OC2C(C)C(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)CC)=O)=O)=O;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH]2OC(C)(C)O[CH]([CH]2C)[C]1(C)O;CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)OC(O2)(C)C)C)(C)O","InChI=1S/C34H59N5O10/c1-12-17-45-26-21(5)25(47-31(42)38-16-14-15-37-29(35)39-30(41)36-11)22(6)28(40)46-23(13-2)34(10,44)27-20(4)24(48-32(7,8)49-27)19(3)18-33(26,9)43/h1,19-27,43-44H,13-18H2,2-11H3,(H,38,42)(H4,35,36,37,39,41)/t19-,20+,21+,22-,23-,24+,25+,26-,27-,33-,34-/m1/s1","","2015-04-16","2015-06-26","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate (non-preferred name)","2015-07-01"],["3X5","(2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","C29 H34 N4 O2","O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5;O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC[CH]3CN2C(=O)c4ccc(cc4)c5ccccc5;c1ccc(cc1)c2ccc(cc2)C(=O)N3CC4CCCCC4CC3CNC(Cc5cnc[nH]5)C=O","InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27-,28+/m0/s1","","2014-12-03","2015-02-13","(2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","2015-02-18"],["M6D","6-O-phosphono-beta-D-mannopyranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1","beta-D-mannose-6-phosphate; 6-O-phosphono-beta-D-mannose; 6-O-phosphono-D-mannose; 6-O-phosphono-mannose","2007-11-21","2020-07-17","6-O-phosphono-beta-D-mannopyranose",""],["3X6","(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","C21 H16 Cl N3 O4","N#CC=Cc3cc(Oc2ccccc2OCCN1C=CC(=O)NC1=O)cc(Cl)c3;Clc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(C=CC#N)c1;c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C=CC#N","InChI=1S/C21H16ClN3O4/c22-16-12-15(4-3-8-23)13-17(14-16)29-19-6-2-1-5-18(19)28-11-10-25-9-7-20(26)24-21(25)27/h1-7,9,12-14H,10-11H2,(H,24,26,27)/b4-3+","","2014-12-02","2015-04-24","(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","2015-04-29"],["M6E","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate","C38 H67 N5 O10","CNC(N/C(NCCCCCCCNC(=O)OC2C(C(=O)OC(CC)C(O)(C)C1C(C)C(OC(O1)(C)C)C(C)CC(O)(C)C(C2C)OCC#C)C)=N)=O;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCCCCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH]2OC(C)(C)O[CH]([CH]2C)[C]1(C)O;CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCCCCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)OC(O2)(C)C)C)(C)O","InChI=1S/C38H67N5O10/c1-12-21-49-30-25(5)29(51-35(46)42-20-18-16-14-15-17-19-41-33(39)43-34(45)40-11)26(6)32(44)50-27(13-2)38(10,48)31-24(4)28(52-36(7,8)53-31)23(3)22-37(30,9)47/h1,23-31,47-48H,13-22H2,2-11H3,(H,42,46)(H4,39,40,41,43,45)/t23-,24+,25+,26-,27-,28+,29+,30-,31-,37-,38-/m1/s1","","2015-04-17","2015-06-26","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate (non-preferred name)","2015-07-01"],["3X7","3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile","C23 H21 N5","N#Cc5ncc2c(c1cc(cnc1n2)c3ccc(cc3)CN4CCCCC4)c5;N#Cc1cc2c([nH]c3ncc(cc23)c4ccc(CN5CCCCC5)cc4)cn1;c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N","InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)","","2014-12-03","2015-05-29","3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile","2015-06-03"],["M6F","(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate","C31 H55 N5 O10","N(C(=O)OC1C(C(=O)OC(CC)C(C)(O)C(O)C(C(O)C(C)CC(C(C1C)OCC#C)(O)C)C)C)CCCNC(=N)NC(=O)NC;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH](O)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)O)C)O)(C)O","InChI=1S/C31H55N5O10/c1-10-15-44-25-19(5)23(46-29(41)35-14-12-13-34-27(32)36-28(40)33-9)20(6)26(39)45-21(11-2)31(8,43)24(38)18(4)22(37)17(3)16-30(25,7)42/h1,17-25,37-38,42-43H,11-16H2,2-9H3,(H,35,41)(H4,32,33,34,36,40)/t17-,18+,19+,20-,21-,22+,23+,24-,25-,30-,31-/m1/s1","","2015-04-17","2015-06-26","(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate (non-preferred name)","2015-07-01"],["3X8","biphenyl-4-yl alpha-D-mannopyranoside","C18 H20 O6","O(c2ccc(c1ccccc1)cc2)C3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH](Oc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H20O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-22H,10H2/t14-,15-,16+,17+,18+/m1/s1","","2014-12-04","2015-05-15","biphenyl-4-yl alpha-D-mannopyranoside","2015-05-20"],["M6G","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate","C36 H63 N5 O10","C2(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C(C(C2C)OC(=O)NCCCCCNC(/NC(=O)NC)=N)C)OCC#C)(O)C)CC)=O;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH]2OC(C)(C)O[CH]([CH]2C)[C]1(C)O;CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)OC(O2)(C)C)C)(C)O","InChI=1S/C36H63N5O10/c1-12-19-47-28-23(5)27(49-33(44)40-18-16-14-15-17-39-31(37)41-32(43)38-11)24(6)30(42)48-25(13-2)36(10,46)29-22(4)26(50-34(7,8)51-29)21(3)20-35(28,9)45/h1,21-29,45-46H,13-20H2,2-11H3,(H,40,44)(H4,37,38,39,41,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,35-,36-/m1/s1","","2015-04-16","2015-06-26","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate (non-preferred name)","2015-07-01"],["3X9","3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine","C12 H22 N2 O3 S2","O=C(O)C(N)CSSCC1=CC(N(O)C1(C)C)(C)C;CC1(C)C=C(CSSC[CH](N)C(O)=O)C(C)(C)N1O;CC1(C=C(C(N1O)(C)C)CSSCC(C(=O)O)N)C","InChI=1S/C12H22N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9,17H,6-7,13H2,1-4H3,(H,15,16)/t9-/m0/s1","CYS with MTSL","2014-12-04","2024-09-27","3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine","2015-03-25"],["M6H","2-(phenylmethyl)imidazolidine","C10 H14 N2","C1CNC(Cc2ccccc2)N1;c1ccc(cc1)CC2NCCN2","InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10-12H,6-8H2","","2019-10-03","2020-02-28","2-(phenylmethyl)imidazolidine","2020-03-04"],["3XA","6-{[(3S,4S)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H27 F3 N4 O","Fc1cccc(c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)F)(F)F","InChI=1S/C21H27F3N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m0/s1","","2010-06-25","2011-06-04","6-{[(3S,4S)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["M6I","N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea","C12 H10 Cl N3 O","O=C(Nc1cccnc1)Nc1cccc(Cl)c1;Clc1cccc(NC(=O)Nc2cccnc2)c1;c1cc(cc(c1)Cl)NC(=O)Nc2cccnc2","InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17)","","2023-08-15","2023-11-03","N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea","2023-11-08"],["3XB","6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H27 F3 N4 O","Fc1cccc(c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)F)(F)F","InChI=1S/C21H27F3N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1","","2010-06-25","2011-06-04","6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["M6J","(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid","C14 H18 N2 O3","C2C(c1ccccc1)N(C(CC(C(=O)O)N)=O)CC2;N[CH](CC(=O)N1CCC[CH]1c2ccccc2)C(O)=O;c1ccc(cc1)C2CCCN2C(=O)CC(C(=O)O)N","InChI=1S/C14H18N2O3/c15-11(14(18)19)9-13(17)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12+/m0/s1","","2019-03-26","2019-10-04","(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid","2019-10-09"],["3XC","6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H27 F3 N4 O","Fc1ccc(cc1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3ccc(F)cc3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3ccc(cc3)F)(F)F","InChI=1S/C21H27F3N4O/c1-14-8-18(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)16-2-4-17(22)5-3-16/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1","","2010-06-30","2011-06-04","6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["M6K","(4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid","C17 H23 N5 O3","O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N;NC(=N)c1ccc(cc1)C2=NO[CH](CN3CCN(CC3)CC(O)=O)C2;c1cc(ccc1C2=NOC(C2)CN3CCN(CC3)CC(=O)O)C(=N)N","InChI=1S/C17H23N5O3/c18-17(19)13-3-1-12(2-4-13)15-9-14(25-20-15)10-21-5-7-22(8-6-21)11-16(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m0/s1","","2022-03-14","2022-08-12","(4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid","2022-08-17"],["3XD","6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H28 F2 N4 O","FC(F)(c1ccccc1)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3ccccc3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3ccccc3)(F)F","InChI=1S/C21H28F2N4O/c1-15-9-18(27-20(24)10-15)11-16-12-26-13-19(16)28-8-7-25-14-21(22,23)17-5-3-2-4-6-17/h2-6,9-10,16,19,25-26H,7-8,11-14H2,1H3,(H2,24,27)/t16-,19+/m1/s1","","2010-06-30","2011-06-04","6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["M6L","(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate","C26 H36 N4 O5","CCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)NCc2ccccn2;CCCC(C(C(=O)NCc1ccccn1)O)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2","InChI=1S/C26H36N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-23,31H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22-,23-/m0/s1","","2022-07-25","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate","2023-08-02"],["3XE","(4S,6S)-6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine","C21 H32 F2 N4 O","FC(F)(c1ccccc1)CNCCOC2C(CNC2)CC3N=C(N)CC(C)C3;C[CH]1C[CH](C[CH]2CNC[CH]2OCCNCC(F)(F)c3ccccc3)N=C(N)C1;CC1CC(N=C(C1)N)CC2CNCC2OCCNCC(c3ccccc3)(F)F","InChI=1S/C21H32F2N4O/c1-15-9-18(27-20(24)10-15)11-16-12-26-13-19(16)28-8-7-25-14-21(22,23)17-5-3-2-4-6-17/h2-6,15-16,18-19,25-26H,7-14H2,1H3,(H2,24,27)/t15-,16+,18-,19-/m0/s1","","2010-06-22","2011-06-04","(4S,6S)-6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine",""],["M6M","N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)","C25 H31 F2 N5 O5","c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N3C(C)CCCC3)=O)C;C[CH]1CCCCN1C(=O)C[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](C)C(=O)NCc3ccc(F)cc3F;Cc1cc(no1)C(=O)NC(CC(=O)N2CCCCC2C)C(=O)NC(C)C(=O)NCc3ccc(cc3F)F","InChI=1S/C25H31F2N5O5/c1-14-6-4-5-9-32(14)22(33)12-20(30-25(36)21-10-15(2)37-31-21)24(35)29-16(3)23(34)28-13-17-7-8-18(26)11-19(17)27/h7-8,10-11,14,16,20H,4-6,9,12-13H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)/t14-,16-,20-/m0/s1","","2019-03-26","2019-10-04","N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)","2019-10-09"],["3XF","6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine","C20 H33 F2 N5 O","FC(F)(C1NCCCC1)CNCCOC3C(Cc2nc(N)cc(c2)C)CNC3;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)[CH]3CCCCN3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(C3CCCCN3)(F)F","InChI=1S/C20H33F2N5O/c1-14-8-16(27-19(23)9-14)10-15-11-25-12-17(15)28-7-6-24-13-20(21,22)18-4-2-3-5-26-18/h8-9,15,17-18,24-26H,2-7,10-13H2,1H3,(H2,23,27)/t15-,17+,18+/m0/s1","","2010-06-25","2011-06-04","6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine",""],["M6N","2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C8 H7 N3 O","CC1=Nc2cnccc2C(=O)N1;CC1=Nc2cnccc2C(=O)N1","InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)","","2019-10-03","2020-02-28","2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2020-03-04"],["3XG","ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate","C21 H25 N3 O3 S2","O=C(OCC)CSC2=Nc1c4c(sc1C(=O)N2CCCN3CCCC3)cccc4;CCOC(=O)CSC1=Nc2c(sc3ccccc23)C(=O)N1CCCN4CCCC4;CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4","InChI=1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3","","2014-12-04","2015-02-06","ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate","2015-02-11"],["M6O","lauric acid functionalized hexamolybdoaluminate","C16 H30 Al Mo6 N O25","O.O.O.O.O.O.O.O.O.O.O.O.CCCCCCCCCCCC(=O)N[C]12C[O]34[Mo]5O[Mo]36O[Mo]7O[Mo]89O[Mo]%10(O8)O[Mo]%11(O5)O[Al]4(O6)([O]79C1)[O]%10%11C2;CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]","InChI=1S/C16H30NO4.Al.6Mo.12H2O.9O/c1-2-3-4-5-6-7-8-9-10-11-15(21)17-16(12-18,13-19)14-20;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-14H2,1H3,(H,17,21);;;;;;;;12*1H2;;;;;;;;;/q;;6*+2;;;;;;;;;;;;;;;;;;;;;/p-12","","2020-01-23","2020-03-13","","2020-03-18"],["M6P","6-O-phosphono-alpha-D-mannopyranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1","ALPHA-D-MANNOSE-6-PHOSPHATE; 6-O-phosphono-alpha-D-mannose; 6-O-phosphono-D-mannose; 6-O-phosphono-mannose","1999-07-08","2020-07-17","6-O-phosphono-alpha-D-mannopyranose",""],["3XH","3-Hydroxyhippuric acid","C9 H9 N O4","O=C(c1cc(O)ccc1)NCC(=O)O;OC(=O)CNC(=O)c1cccc(O)c1;c1cc(cc(c1)O)C(=O)NCC(=O)O","InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)","N-[(3-hydroxyphenyl)carbonyl]glycine","2008-08-26","2020-06-17","N-[(3-hydroxyphenyl)carbonyl]glycine",""],["M6Q","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide","C20 H25 N5 O2","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccnc(N)c3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccnc(c3)N)N","InChI=1S/C20H25N5O2/c21-16(11-14-5-2-1-3-6-14)20(27)25-10-4-7-17(25)19(26)24-13-15-8-9-23-18(22)12-15/h1-3,5-6,8-9,12,16-17H,4,7,10-11,13,21H2,(H2,22,23)(H,24,26)/t16-,17+/m1/s1","","2019-10-03","2020-05-08","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide","2020-05-13"],["3XI","N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide","C26 H44 N4 O5","CC(C)C[CH](NC(=O)[CH](NC(=O)C1CCCCC1)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)C2CCCCC2","InChI=1S/C26H44N4O5/c1-16(2)13-21(25(34)28-20(15-31)14-19-11-8-12-27-23(19)32)29-26(35)22(17(3)4)30-24(33)18-9-6-5-7-10-18/h15-22H,5-14H2,1-4H3,(H,27,32)(H,28,34)(H,29,35)(H,30,33)/t19-,20-,21-,22-/m0/s1","","2022-02-01","2024-09-27","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide","2022-04-13"],["3XJ","4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid","C20 H20 Cl N O9","O=C(O)c1ccc(cc1)C(=O)Nc3ccc(OC2OC(C(O)C(O)C2O)CO)c(Cl)c3;OC[CH]1O[CH](Oc2ccc(NC(=O)c3ccc(cc3)C(O)=O)cc2Cl)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O","InChI=1S/C20H20ClNO9/c21-12-7-11(22-18(27)9-1-3-10(4-2-9)19(28)29)5-6-13(12)30-20-17(26)16(25)15(24)14(8-23)31-20/h1-7,14-17,20,23-26H,8H2,(H,22,27)(H,28,29)/t14-,15-,16+,17+,20+/m1/s1","","2014-12-06","2015-05-15","4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid","2015-05-20"],["M6R","5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL","C6 H16 N O8 P","O=P(O)(O)OCC(O)C(O)C(O)C(N)CO;N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O","InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1","","2007-05-29","2011-06-04","5-amino-5-deoxy-1-O-phosphono-D-mannitol",""],["3XK","N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide","C19 H13 N5 O","O=C(Nc4cccc(c2cc3c1c(cnc(C#N)c1)nc3nc2)c4)C;CC(=O)Nc1cccc(c1)c2cnc3[nH]c4cnc(cc4c3c2)C#N;CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N","InChI=1S/C19H13N5O/c1-11(25)23-14-4-2-3-12(5-14)13-6-17-16-7-15(8-20)21-10-18(16)24-19(17)22-9-13/h2-7,9-10H,1H3,(H,22,24)(H,23,25)","","2014-12-05","2015-05-29","N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide","2015-06-03"],["M6S","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide","C23 H34 N6 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)NC)C2CCCCC2)CC3;CNC(=O)CN[CH](C1CCCCC1)C(=O)N2CC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CNC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C23H34N6O3/c1-26-19(30)14-27-20(16-5-3-2-4-6-16)23(32)29-12-11-18(29)22(31)28-13-15-7-9-17(10-8-15)21(24)25/h7-10,16,18,20,27H,2-6,11-14H2,1H3,(H3,24,25)(H,26,30)(H,28,31)/t18-,20+/m0/s1","","2012-09-14","2014-09-05","(2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(methylamino)-2-oxoethyl]amino}acetyl]azetidine-2-carboxamide","2013-01-11"],["3XL","3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile","C17 H10 N4 O","N#Cc4ncc2c(c1cc(cnc1n2)c3ccccc3O)c4;Oc1ccccc1c2cnc3[nH]c4cnc(cc4c3c2)C#N;c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O","InChI=1S/C17H10N4O/c18-7-11-6-13-14-5-10(12-3-1-2-4-16(12)22)8-20-17(14)21-15(13)9-19-11/h1-6,8-9,22H,(H,20,21)","","2014-12-05","2015-05-29","3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile","2015-06-03"],["M6T","6'-METHYL-THIAMIN DIPHOSPHATE","C13 H20 N4 O7 P2 S","Cc1nc(C)c(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O)c2C)c(N)n1;Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCOP(=O)(O)OP(=O)(O)[O-]","InChI=1S/C13H20N4O7P2S/c1-8-11(13(14)16-10(3)15-8)6-17-7-27-12(9(17)2)4-5-23-26(21,22)24-25(18,19)20/h7H,4-6H2,1-3H3,(H4-,14,15,16,18,19,20,21,22)","","1999-07-08","2011-06-04","[2-[3-[(4-amino-2,6-dimethyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["M6U","N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide","C15 H14 F3 N3 O","FC(F)(F)c1cccc(CC(=O)Nc2cnccc2CC)n1;CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F;CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F","InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22)","","2023-08-15","2023-11-03","N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide","2023-11-08"],["3XM","3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one","C17 H19 N O4","O=C(C1=C(O)C(=CNC1=O)c2ccc(O)cc2)CCCCC;CCCCCC(=O)C1=C(O)C(=CNC1=O)c2ccc(O)cc2;CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O","InChI=1S/C17H19NO4/c1-2-3-4-5-14(20)15-16(21)13(10-18-17(15)22)11-6-8-12(19)9-7-11/h6-10,19H,2-5H2,1H3,(H2,18,21,22)","","2014-12-05","2015-05-22","3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one","2015-05-27"],["3XN","4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside","C20 H20 N2 O8","[O-][N+](=O)c1cc2c(cc1)n(cc2)c4ccc(OC3OC(C(O)C(O)C3O)CO)cc4;OC[CH]1O[CH](Oc2ccc(cc2)n3ccc4cc(ccc34)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])OC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C20H20N2O8/c23-10-16-17(24)18(25)19(26)20(30-16)29-14-4-1-12(2-5-14)21-8-7-11-9-13(22(27)28)3-6-15(11)21/h1-9,16-20,23-26H,10H2/t16-,17-,18+,19+,20+/m1/s1","","2014-12-06","2015-05-15","4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside","2015-05-20"],["M6V","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate","C35 H61 N5 O10","N(CCCCNC(=N)/NC(NC)=O)C(OC2C(C)C(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)CC)=O)=O;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH]2OC(C)(C)O[CH]([CH]2C)[C]1(C)O;CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)OC(O2)(C)C)C)(C)O","InChI=1S/C35H61N5O10/c1-12-18-46-27-22(5)26(48-32(43)39-17-15-14-16-38-30(36)40-31(42)37-11)23(6)29(41)47-24(13-2)35(10,45)28-21(4)25(49-33(7,8)50-28)20(3)19-34(27,9)44/h1,20-28,44-45H,13-19H2,2-11H3,(H,39,43)(H4,36,37,38,40,42)/t20-,21+,22+,23-,24-,25+,26+,27-,28-,34-,35-/m1/s1","","2015-04-16","2015-06-26","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate (non-preferred name)","2015-07-01"],["M6W","(3~{S})-~{N}-methylpyrrolidine-3-carboxamide","C6 H12 N2 O","CNC(=O)[CH]1CCNC1;CNC(=O)C1CCNC1","InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1","","2019-10-03","2020-02-28","(3~{S})-~{N}-methylpyrrolidine-3-carboxamide","2020-03-04"],["3XO","2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside","C21 H26 Cl N3 O8","O=C2C(N1CCN(C)CC1)=C(C2=O)Nc4ccc(OC3OC(C(O)C(O)C3O)CO)c(Cl)c4;CN1CCN(CC1)C2=C(Nc3ccc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)c(Cl)c3)C(=O)C2=O;CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)OC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C21H26ClN3O8/c1-24-4-6-25(7-5-24)15-14(17(28)18(15)29)23-10-2-3-12(11(22)8-10)32-21-20(31)19(30)16(27)13(9-26)33-21/h2-3,8,13,16,19-21,23,26-27,30-31H,4-7,9H2,1H3/t13-,16-,19+,20+,21+/m1/s1","","2014-12-06","2015-05-15","2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside","2015-05-20"],["M6X","N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide","C19 H20 N2 O6","ONC(=O)CCN(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1;ONC(=O)CCN(Cc1ccc2OCOc2c1)Cc3ccc4OCOc4c3;c1cc2c(cc1CN(CCC(=O)NO)Cc3ccc4c(c3)OCO4)OCO2","InChI=1S/C19H20N2O6/c22-19(20-23)5-6-21(9-13-1-3-15-17(7-13)26-11-24-15)10-14-2-4-16-18(8-14)27-12-25-16/h1-4,7-8,23H,5-6,9-12H2,(H,20,22)","","2022-03-14","2022-10-28","N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide","2022-11-02"],["3XQ","(2S)-2,3-dihydroxypropyl octadecanoate","C21 H42 O4","O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O","InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1","","2014-12-08","2018-04-06","(2S)-2,3-dihydroxypropyl octadecanoate","2018-04-11"],["3XR","(2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium","C8 H15 N2 O5","O=C(NC1[NH2+]CC(C(=O)O)C(O)C1O)C;CC(=O)N[CH]1[NH2+]C[CH]([CH](O)[CH]1O)C(O)=O;CC(=O)NC1C(C(C(C[NH2+]1)C(=O)O)O)O","InChI=1S/C8H14N2O5/c1-3(11)10-7-6(13)5(12)4(2-9-7)8(14)15/h4-7,9,12-13H,2H2,1H3,(H,10,11)(H,14,15)/p+1/t4-,5-,6-,7+/m0/s1","","2014-12-08","2015-07-17","(2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium","2015-07-22"],["M6Y","N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)","C29 H31 F2 N5 O5","c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N4CCCC4c3ccccc3)=O)C;C[CH](NC(=O)[CH](CC(=O)N1CCC[CH]1c2ccccc2)NC(=O)c3cc(C)on3)C(=O)NCc4ccc(F)cc4F;Cc1cc(no1)C(=O)NC(CC(=O)N2CCCC2c3ccccc3)C(=O)NC(C)C(=O)NCc4ccc(cc4F)F","InChI=1S/C29H31F2N5O5/c1-17-13-24(35-41-17)29(40)34-23(15-26(37)36-12-6-9-25(36)19-7-4-3-5-8-19)28(39)33-18(2)27(38)32-16-20-10-11-21(30)14-22(20)31/h3-5,7-8,10-11,13-14,18,23,25H,6,9,12,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)/t18-,23-,25+/m0/s1","","2019-03-26","2019-10-04","N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)","2019-10-09"],["3XS","2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid","C18 H15 N3 O3 S","O=C(O)c3c(/C=N/Nc1nc(cs1)c2cccc(OC)c2)cccc3;COc1cccc(c1)c2csc(NN=Cc3ccccc3C(O)=O)n2;COc1cccc(c1)c2csc(n2)NN=Cc3ccccc3C(=O)O","InChI=1S/C18H15N3O3S/c1-24-14-7-4-6-12(9-14)16-11-25-18(20-16)21-19-10-13-5-2-3-8-15(13)17(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/b19-10+","","2013-08-01","2014-07-18","2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid","2014-07-23"],["M6Z","5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide","C9 H8 I N3 O","CNC(=O)c1n[nH]c2ccc(I)cc12;CNC(=O)c1c2cc(ccc2[nH]n1)I","InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)","","2019-10-03","2020-02-28","5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide","2020-03-04"],["3XT","4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide","C16 H21 F N4 O2","O=C(NC1(C(=O)NCC=[N@H])CCCCC1)c2ccc(N)c(F)c2;Nc1ccc(cc1F)C(=O)NC2(CCCCC2)C(=O)NCC=N;c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC=N)F)N","InChI=1S/C16H21FN4O2/c17-12-10-11(4-5-13(12)19)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,8,10,18H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)/b18-8-","","2014-12-08","2015-09-18","4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide","2015-09-23"],["M70","(2S)-2-azanyl-3-(1-carbamimidoylpiperidin-4-yl)propanoic acid","C9 H18 N4 O2","N[CH](CC1CCN(CC1)C(N)=N)C(O)=O;C1CN(CCC1CC(C(=O)O)N)C(=N)N","InChI=1S/C9H18N4O2/c10-7(8(14)15)5-6-1-3-13(4-2-6)9(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,14,15)/t7-/m0/s1","","2017-01-24","2025-08-01","(2~{S})-2-azanyl-3-(1-carbamimidoylpiperidin-4-yl)propanoic acid","2025-08-06"],["3XU","(4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-\n23-en-1-aminium 4-oxide","C47 H94 N2 O6 P","O=P(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O","InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1","N_nervonoyl_D_erythro_sphingosylphosphorylcholine","2014-12-08","2020-06-17","(4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-oxide","2015-02-04"],["M72","(2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid","C10 H12 O4","O=C(O)C(O)C(OC)c1ccccc1;CO[CH]([CH](O)C(O)=O)c1ccccc1;COC(c1ccccc1)C(C(=O)O)O","InChI=1S/C10H12O4/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)/t8-,9-/m1/s1","","2013-08-21","2014-06-20","(2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid","2014-06-25"],["M73","methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate","C28 H40 N2 O8 S","O=S(=O)(N(CC(C)CC)CC(O)C(NC(=O)OCC(C(=O)OC)C)Cc1ccccc1)c2ccc(OC)cc2;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)OC[CH](C)C(=O)OC)[S](=O)(=O)c2ccc(OC)cc2;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OCC(C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC","InChI=1S/C28H40N2O8S/c1-6-20(2)17-30(39(34,35)24-14-12-23(36-4)13-15-24)18-26(31)25(16-22-10-8-7-9-11-22)29-28(33)38-19-21(3)27(32)37-5/h7-15,20-21,25-26,31H,6,16-19H2,1-5H3,(H,29,33)/t20-,21-,25-,26+/m0/s1","","2012-02-03","2012-07-27","methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate",""],["3XV","N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide","C20 H25 N5 O3","O=C(NCC(O)CN2Cc1ccccc1CC2)c4ncnc(NC3COC3)c4;O[CH](CNC(=O)c1cc(NC2COC2)ncn1)CN3CCc4ccccc4C3;c1ccc2c(c1)CCN(C2)CC(CNC(=O)c3cc(ncn3)NC4COC4)O","InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1","","2014-12-08","2015-04-17","N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide","2015-04-22"],["3XW","4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C28 H27 F3 N8 S","N#Cc2n(c1ccc(c(c1c2)C)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5)Cc6cnnc6;Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(Cc6c[nH]nc6)c(cc15)C#N;Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F","InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)","MI-503","2014-12-08","2021-03-01","4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2015-04-15"],["M74","(2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid","C9 H10 O4","O=C(O)C(O)C(O)c1ccccc1;O[CH]([CH](O)c1ccccc1)C(O)=O;c1ccc(cc1)C(C(C(=O)O)O)O","InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)/t7-,8+/m1/s1","","2013-08-21","2014-06-20","(2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid","2014-06-25"],["M75","~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide","C6 H9 N3 O2 S","O=[S](=O)(NC1CC1)c2c[nH]cn2;c1c(nc[nH]1)S(=O)(=O)NC2CC2","InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)","","2019-10-03","2020-02-28","~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide","2020-03-04"],["3XX","(2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one","C7 H8 O3","O=C1C(OC(=C1O)C)=C/C;CC=C1OC(=C(O)C1=O)C;CC=C1C(=O)C(=C(O1)C)O","InChI=1S/C7H8O3/c1-3-5-7(9)6(8)4(2)10-5/h3,8H,1-2H3/b5-3+","","2012-12-20","2013-04-12","(2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one","2013-04-17"],["M76","N-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide","C17 H13 F N2 O4","Fc1ccc(cc1)CNC(=O)C2=C(O)N(O)C(=O)c3ccccc23;ON1C(=C(C(=O)NCc2ccc(F)cc2)c3ccccc3C1=O)O;c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F","InChI=1S/C17H13FN2O4/c18-11-7-5-10(6-8-11)9-19-15(21)14-12-3-1-2-4-13(12)16(22)20(24)17(14)23/h1-8,23-24H,9H2,(H,19,21)","","2013-01-16","2013-03-29","N-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide","2013-04-03"],["3XY","5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C23 H21 F3 N6 S","N#Cc2nc1ccc(cc1c2)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5;FC(F)(F)Cc1sc2ncnc(NC3CCN(CC3)Cc4ccc5[nH]c(cc5c4)C#N)c2c1;c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N","InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31)","MI-136","2014-12-08","2020-06-17","5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2015-04-15"],["3XZ","bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate","C20 H25 N10 O8 P","O=P(OCC3OC(n1c2ncnc(N)c2nc1)CC3O)(O)OCC6OC(n5cnc4c(ncnc45)N)CC6O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)OC[CH]4O[CH](C[CH]4O)n5cnc6c(N)ncnc56)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OCC4C(CC(O4)n5cnc6c5ncnc6N)O)O)N","InChI=1S/C20H25N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(31)11(37-13)3-35-39(33,34)36-4-12-10(32)2-14(38-12)30-8-28-16-18(22)24-6-26-20(16)30/h5-14,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)/t9-,10-,11+,12+,13+,14+/m0/s1","","2014-12-08","2015-07-17","bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate (non-preferred name)","2015-07-22"],["M77","5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE","C14 H17 N3 O2 S","O=S(=O)(c2c1ccncc1ccc2)N3CCCNCC3;O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23;c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3","InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2","Fasudil; (5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE","2003-08-26","2020-05-27","5-(1,4-diazepan-1-ylsulfonyl)isoquinoline",""],["3Y0","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate","C28 H49 N5 O13 P2 S","O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(S)C(OCCCCCCCCCCCCC)C4O;CCCCCCCCCCCCCO[CH]1[CH](S)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CCCCCCCCCCCCCOC1C(C(OC1S)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C28H49N5O13P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-24-22(35)19(45-28(24)49)15-43-48(39,40)46-47(37,38)42-14-18-21(34)23(36)27(44-18)33-17-32-20-25(29)30-16-31-26(20)33/h16-19,21-24,27-28,34-36,49H,2-15H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t18-,19-,21-,22-,23-,24-,27-,28-/m1/s1","","2014-12-09","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-3-hydroxy-5-sulfanyl-4-(tridecyloxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2016-01-13"],["M78","~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide","C12 H14 N2 O","CNC(=O)c1ccc2[nH]c(C)c(C)c2c1;Cc1c([nH]c2c1cc(cc2)C(=O)NC)C","InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15)","","2019-10-03","2020-02-28","~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide","2020-03-04"],["3Y1","2-amino-4-bromo-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide","C16 H19 Br N4 O2","O=C(NC1(C(=O)NCC#N)CCCCC1)c2ccc(Br)cc2N;Nc1cc(Br)ccc1C(=O)NC2(CCCCC2)C(=O)NCC#N;c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N","InChI=1S/C16H19BrN4O2/c17-11-4-5-12(13(19)10-11)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,10H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)","","2014-12-09","2015-09-25","2-amino-4-bromo-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide","2015-09-30"],["M79","2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide","C18 H26 Cl N3 O2","CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl;CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccccc2","InChI=1S/C18H26ClN3O2/c1-18(2,21-15-6-4-3-5-7-15)17(24)22-10-8-14(9-11-22)13-20-16(23)12-19/h3-7,14,21H,8-13H2,1-2H3,(H,20,23)","","2022-07-25","2024-09-27","2-chloranyl-~{N}-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide","2023-09-20"],["M7A","7-methyl, adenosine-5'-monophosphate","C11 H18 N5 O7 P","CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3ncnc(N)c13;CN1CN(c2c1c(ncn2)N)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C11H18N5O7P/c1-15-4-16(10-6(15)9(12)13-3-14-10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2,4H2,1H3,(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","","2017-09-25","2019-05-02","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-7-methyl-8~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["3Y2","2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide","C16 H21 Cl N4 O2","O=C(NC1(C(=O)NCC=[N@H])CCCCC1)c2ccc(Cl)cc2N;Nc1cc(Cl)ccc1C(=O)NC2(CCCCC2)C(=O)NCC=N;c1cc(c(cc1Cl)N)C(=O)NC2(CCCCC2)C(=O)NCC=N","InChI=1S/C16H21ClN4O2/c17-11-4-5-12(13(19)10-11)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,8,10,18H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)/b18-8+","","2014-12-09","2024-09-27","2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide","2015-09-09"],["M7B","7-O-phosphono-D-glycero-beta-D-manno-heptopyranose","C7 H15 O10 P","O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O;O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1","7-O-phosphono-D-glycero-beta-D-manno-heptose; 7-O-phosphono-D-glycero-D-manno-heptose;\n7-O-phosphono-D-glycero-manno-heptose","2012-04-04","2020-07-17","7-O-phosphono-D-glycero-beta-D-manno-heptopyranose","2012-12-21"],["3Y3","1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea","C27 H26 Cl2 N8 O","Clc1cc(c(cc1)CN)CNC(=O)NC(c4nc(c2ccc3c(c2)nnc3N)c(Cl)n4)Cc5ccccc5;NCc1ccc(Cl)cc1CNC(=O)N[CH](Cc2ccccc2)c3[nH]c(Cl)c(n3)c4ccc5c(N)n[nH]c5c4;c1ccc(cc1)CC(c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl","InChI=1S/C27H26Cl2N8O/c28-19-8-6-17(13-30)18(11-19)14-32-27(38)33-22(10-15-4-2-1-3-5-15)26-34-23(24(29)35-26)16-7-9-20-21(12-16)36-37-25(20)31/h1-9,11-12,22H,10,13-14,30H2,(H,34,35)(H3,31,36,37)(H2,32,33,38)/t22-/m0/s1","","2014-12-09","2015-02-13","1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea","2015-02-18"],["3Y4","methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate","C29 H26 Cl2 N8 O3","O=C(OC)Nc1ccc(cc1)c2c(Cl)nc(n2)C(NC(=O)CCc3cc(Cl)ccc3n4nnnc4)Cc5ccccc5;COC(=O)Nc1ccc(cc1)c2[nH]c(nc2Cl)[CH](Cc3ccccc3)NC(=O)CCc4cc(Cl)ccc4n5cnnn5;COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)C(Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl","InChI=1S/C29H26Cl2N8O3/c1-42-29(41)33-22-11-7-19(8-12-22)26-27(31)36-28(35-26)23(15-18-5-3-2-4-6-18)34-25(40)14-9-20-16-21(30)10-13-24(20)39-17-32-37-38-39/h2-8,10-13,16-17,23H,9,14-15H2,1H3,(H,33,41)(H,34,40)(H,35,36)/t23-/m0/s1","","2014-12-09","2015-02-13","methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate","2015-02-18"],["M7C","N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide","C15 H16 N2 O7 S","O=C3NC(=N/C(=O)c1ccccc1)/SC32OC(C(O)C(O)C2O)CO;OC[CH]1O[C]2(SC(NC2=O)=NC(=O)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C(=O)N=C2NC(=O)C3(S2)C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H16N2O7S/c18-6-8-9(19)10(20)11(21)15(24-8)13(23)17-14(25-15)16-12(22)7-4-2-1-3-5-7/h1-5,8-11,18-21H,6H2,(H,16,17,22,23)/t8-,9-,10+,11-,15-/m1/s1","","2014-03-15","2014-08-01","N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide","2014-08-06"],["3Y5","1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea","C27 H23 Cl2 N11 O","Clc2cc(c(n1nnnc1)cc2)CNC(=O)NC(c5nc(c3ccc4c(c3)nnc4N)c(Cl)n5)Cc6ccccc6;Nc1n[nH]c2cc(ccc12)c3nc([nH]c3Cl)[CH](Cc4ccccc4)NC(=O)NCc5cc(Cl)ccc5n6cnnn6;c1ccc(cc1)CC(c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl","InChI=1S/C27H23Cl2N11O/c28-18-7-9-22(40-14-32-38-39-40)17(11-18)13-31-27(41)33-21(10-15-4-2-1-3-5-15)26-34-23(24(29)35-26)16-6-8-19-20(12-16)36-37-25(19)30/h1-9,11-12,14,21H,10,13H2,(H,34,35)(H3,30,36,37)(H2,31,33,41)/t21-/m0/s1","","2014-12-09","2015-02-13","1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea","2015-02-18"],["M7D","N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C21 H17 F N6 O","C(#N)c1cnc(cc1)C(Nc2cc(c(F)cc2)C4(N=C(c3cccn3C4)N)C)=O;C[C]1(Cn2cccc2C(=N1)N)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F;CC1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N","InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1","","2019-03-26","2019-09-20","N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2019-09-25"],["3Y6","3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid","C24 H25 B N4 O9","O=C3C(=O)N(C=CN3C(=O)NC(c1ccc(O)cc1)C(=O)NC(B(O)O)Cc2cccc(C(=O)O)c2)CC;CCN1C=CN(C(=O)N[CH](C(=O)N[CH](Cc2cccc(c2)C(O)=O)B(O)O)c3ccc(O)cc3)C(=O)C1=O;B(C(Cc1cccc(c1)C(=O)O)NC(=O)C(c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O","InChI=1S/C24H25BN4O9/c1-2-28-10-11-29(22(33)21(28)32)24(36)27-19(15-6-8-17(30)9-7-15)20(31)26-18(25(37)38)13-14-4-3-5-16(12-14)23(34)35/h3-12,18-19,30,37-38H,2,13H2,1H3,(H,26,31)(H,27,36)(H,34,35)/t18-,19+/m0/s1","","2014-12-09","2015-12-18","3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid","2015-12-23"],["M7E","1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3","C26 H37 B10 O2","C[CH](CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16)[CH]%20CC[CH]%21C(CCC[C]%20%21C)=CC=C%22C[CH](O)C[CH](O)C%22=C;B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCC(C)C1CCC2C1(CCCC2=CC=C1CC(CC(C1=C)O)O)C","InChI=1S/C26H37B10O2/c1-16(21-10-11-22-18(7-4-12-24(21,22)3)8-9-19-14-20(37)15-23(38)17(19)2)6-5-13-26-25-27(26)29(25)30(25)28(25,26)32(26)31(26,27)33(27,29)35(29,30)34(28,30,32)36(31,32,33)35/h8-9,16,20-23,37-38H,2,4-7,10-15H2,1,3H3/q+3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1","","2015-11-02","2015-11-20","","2015-11-25"],["M7F","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8S,9R,10S,11S,13R,14S,17S)-17-[(2S,5R)-5-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol","C48 H82 O19","C[CH](CC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C;CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)C","InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)66-43-40(37(58)34(55)27(20-51)64-43)67-42-39(60)36(57)33(54)26(19-50)63-42)22-15-16-46(6)28-12-10-23-24(48(28,8)29(52)17-47(22,46)7)11-14-30(44(23,2)3)65-41-38(59)35(56)32(53)25(18-49)62-41/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,46-,47+,48-/m0/s1","","2022-12-23","2024-05-24","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},8~{S},9~{R},10~{S},11~{S},13~{R},14~{S},17~{S})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol","2024-05-29"],["3Y7","7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine","C10 H12 N4 O2","n1onc2c(ccc(c12)N)N3CCOCC3;Nc1ccc(N2CCOCC2)c3nonc13;c1cc(c2c(c1N)non2)N3CCOCC3","InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2","","2014-12-10","2017-03-24","7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine","2017-03-29"],["3Y8","3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid","C45 H60 N4 O16","CC1=C2N[C](C)([CH]3N[CH](CC4=N[C](C)(CC5=N[CH]1[C](C)(CC(O)=O)[CH]5CCC(O)=O)C(=C4CCC(O)=O)CC(O)=O)[C](C)(C=CC(O)=O)[CH]3CC(O)=O)[C](C)(CC(O)=O)[CH]2CCC(O)=O;CC1=C2C(C(C(N2)(C3C(C(C(N3)CC4=NC(CC5=NC1C(C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O","InChI=1S/C45H60N4O16/c1-21-38-24(9-12-32(54)55)43(4,20-37(64)65)45(6,49-38)40-26(16-35(60)61)41(2,14-13-33(56)57)29(47-40)17-27-22(7-10-30(50)51)25(15-34(58)59)44(5,48-27)18-28-23(8-11-31(52)53)42(3,19-36(62)63)39(21)46-28/h13-14,23-24,26,29,39-40,47,49H,7-12,15-20H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b14-13+,38-21-/t23-,24-,26+,29+,39-,40-,41-,42+,43+,44+,45+/m1/s1","","2014-12-10","2016-01-15","3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid","2016-01-20"],["M7G","7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE","C11 H18 N5 O11 P2","O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O;C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-02-21","7-methylguanosine 5'-(trihydrogen diphosphate)",""],["3Y9","N-{4-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic acid","C22 H25 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)CCCCc3cc2c(N=C(N)NC2=O)n3)CCC(=O)O;NC1=Nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1","","2014-12-10","2016-04-15","N-{4-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic acid","2016-04-20"],["M7H","1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone","C21 H24 N4 O2","COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O;CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC","InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3","","2019-10-03","2020-12-18","1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone","2020-12-23"],["3YA","N-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic acid","C22 H24 N4 O6 S","c1cc(ccc1C(NC(CCC(O)=O)C(O)=O)=O)CCCCc2sc3NC(=NC(=O)c3c2)N;NC1=NC(=O)c2cc(CCCCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)sc2N1;c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1","","2014-12-10","2016-04-15","N-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic acid","2016-04-20"],["M7I","5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione","C13 H11 F3 N2 O2","O=C1NC(CCc2ccc(cc2)C(F)(F)F)=CNC1=O;FC(F)(F)c1ccc(CCC2=CNC(=O)C(=O)N2)cc1;c1cc(ccc1CCC2=CNC(=O)C(=O)N2)C(F)(F)F","InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-17-11(19)12(20)18-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)","","2022-03-14","2022-06-03","5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione","2022-06-08"],["M7K","7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine","C18 H18 F N3","Fc1cccc(c1)CNCCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1;c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N","InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)","","2013-10-09","2014-02-14","7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine","2014-02-19"],["3YB","N-({4-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid","C20 H23 N5 O6 S","O=C(O)C(NC(=O)c1scc(c1)CCCCc3cc2C(=O)NC(=Nc2n3)N)CCC(=O)O;NC1=Nc2[nH]c(CCCCc3csc(c3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c(csc1C(=O)NC(CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N","InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)8-11(22-16)4-2-1-3-10-7-14(32-9-10)18(29)23-13(19(30)31)5-6-15(26)27/h7-9,13H,1-6H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1","","2014-12-10","2016-04-15","N-({4-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid","2016-04-20"],["3YC","(S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid","C20 H23 N5 O6 S","N=2c3nc(CCCCc1cc(C(=O)NC(CCC(O)=O)C(O)=O)cs1)cc3C(NC=2N)=O;NC1=Nc2[nH]c(CCCCc3scc(c3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H23N5O6S/c21-20-24-16-13(18(29)25-20)8-11(22-16)3-1-2-4-12-7-10(9-32-12)17(28)23-14(19(30)31)5-6-15(26)27/h7-9,14H,1-6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t14-/m0/s1","","2014-12-10","2016-04-15","N-({5-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-3-yl}carbonyl)-L-glutamic acid","2016-04-20"],["M7L","3-azanyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid","C11 H16 N3 O8 P","Cc1ncc(CO[P](O)(O)=O)c(CN=C(CON)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CON)C(=O)O)O","InChI=1S/C11H16N3O8P/c1-6-10(15)8(3-14-9(5-21-12)11(16)17)7(2-13-6)4-22-23(18,19)20/h2,15H,3-5,12H2,1H3,(H,16,17)(H2,18,19,20)/b14-9+","","2022-07-26","2022-11-11","(2~{E})-3-azanyloxy-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid","2022-11-16"],["M7M","N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)","C13 H23 N5 O11 P2","O=P(O)(O)OP(=O)(O)OCC3OC(N1C2=C(N(C1)C)C(=O)N=C(N(C)C)N2)C(O)C3O;CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;CN1CN(C2=C1C(=O)N=C(N2)N(C)C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1","","2010-04-05","2011-07-15","N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)",""],["3YD","(S)-2-(7-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid","C18 H25 N5 O6","N1=C(NC(=O)c2cc(nc12)CCCCCCC(=O)NC(C(=O)O)CCC(O)=O)N;NC1=Nc2[nH]c(CCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C18H25N5O6/c19-18-22-15-11(16(27)23-18)9-10(20-15)5-3-1-2-4-6-13(24)21-12(17(28)29)7-8-14(25)26/h9,12H,1-8H2,(H,21,24)(H,25,26)(H,28,29)(H4,19,20,22,23,27)/t12-/m0/s1","","2014-12-10","2016-04-15","N-[7-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)heptanoyl]-L-glutamic acid","2016-04-20"],["M7N","~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide","C21 H30 N6 O","CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1;CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3","InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)","","2019-10-04","2019-11-01","~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide","2019-11-06"],["3YE","(S)-2-(8-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid","C19 H27 N5 O6","N1=C(NC(=O)c2cc(nc12)CCCCCCCC(NC(C(O)=O)CCC(=O)O)=O)N;NC1=Nc2[nH]c(CCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H27N5O6/c20-19-23-16-12(17(28)24-19)10-11(21-16)6-4-2-1-3-5-7-14(25)22-13(18(29)30)8-9-15(26)27/h10,13H,1-9H2,(H,22,25)(H,26,27)(H,29,30)(H4,20,21,23,24,28)/t13-/m0/s1","","2014-12-10","2020-06-27","N-[8-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanoyl]-L-glutamic acid","2016-04-20"],["M7O","2-[(phenylmethyl)carbamoylamino]benzoic acid","C15 H14 N2 O3","OC(=O)c1ccccc1NC(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O","InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)","","2017-01-06","2017-02-10","2-[(phenylmethyl)carbamoylamino]benzoic acid","2017-02-15"],["3YF","(S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid","C19 H21 N5 O6 S","N=2c3nc(CCCc1cc(sc1)C(=O)NC(CCC(O)=O)C(O)=O)cc3C(NC=2N)=O;NC1=Nc2[nH]c(CCCc3csc(c3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c(csc1C(=O)NC(CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N","InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)7-10(21-15)3-1-2-9-6-13(31-8-9)17(28)22-12(18(29)30)4-5-14(25)26/h6-8,12H,1-5H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1","","2014-12-10","2015-12-11","N-({4-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid","2015-12-16"],["M7P","7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose","C7 H15 O10 P","O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O;O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1","D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE; 7-O-phosphono-D-glycero-alpha-D-manno-heptose;\n7-O-phosphono-D-glycero-D-manno-heptose; 7-O-phosphono-D-glycero-manno-heptose","2004-08-20","2020-07-17","7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose",""],["3YG","(S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid","C19 H21 N5 O6 S","N=1c3c(C(NC=1N)=O)cc(CCCc2cc(cs2)C(=O)NC(CCC(=O)O)C(O)=O)n3;NC1=Nc2[nH]c(CCCc3scc(c3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H21N5O6S/c20-19-23-15-12(17(28)24-19)7-10(21-15)2-1-3-11-6-9(8-31-11)16(27)22-13(18(29)30)4-5-14(25)26/h6-8,13H,1-5H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t13-/m0/s1","","2014-12-10","2015-12-11","N-({5-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-3-yl}carbonyl)-L-glutamic acid","2015-12-16"],["3YH","3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide","C23 H19 N5 O4 S","O=S(=O)(N)c1ccccc1c2ccc(cc2)NC(=O)c4conc4c3cc(ccc3)C(=[N@H])N;NC(=N)c1cccc(c1)c2nocc2C(=O)Nc3ccc(cc3)c4ccccc4[S](N)(=O)=O;c1ccc(c(c1)c2ccc(cc2)NC(=O)c3conc3c4cccc(c4)C(=N)N)S(=O)(=O)N","InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)","","2010-12-16","2011-12-16","3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide",""],["M7R","(2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid","C37 H43 N O4","O=C(O)C(Cc1ccccc1)Cc2cc(c(OCCC)cc2)CNC(=O)c3ccc(cc3)C46CC5CC(CC(C4)C5)C6;CCCOc1ccc(C[CH](Cc2ccccc2)C(O)=O)cc1CNC(=O)c3ccc(cc3)[C]45C[CH]6[CH2]C([CH2][CH](C6)C4)C5;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)CC(Cc6ccccc6)C(=O)O","InChI=1S/C37H43NO4/c1-2-14-42-34-13-8-26(19-31(36(40)41)18-25-6-4-3-5-7-25)20-32(34)24-38-35(39)30-9-11-33(12-10-30)37-21-27-15-28(22-37)17-29(16-27)23-37/h3-13,20,27-29,31H,2,14-19,21-24H2,1H3,(H,38,39)(H,40,41)/t27-,28+,29-,31-,37-/m1/s1","","2010-09-07","2011-07-22","(2R)-2-benzyl-3-{4-propoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]phenyl}propanoic acid",""],["M7S","(2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid","C37 H43 N O4","O=C(O)C(Cc1ccccc1)Cc2cc(c(OCCC)cc2)CNC(=O)c3ccc(cc3)C46CC5CC(CC(C4)C5)C6;CCCOc1ccc(C[CH](Cc2ccccc2)C(O)=O)cc1CNC(=O)c3ccc(cc3)[C]45C[CH]6[CH2]C([CH2][CH](C6)C4)C5;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)CC(Cc6ccccc6)C(=O)O","InChI=1S/C37H43NO4/c1-2-14-42-34-13-8-26(19-31(36(40)41)18-25-6-4-3-5-7-25)20-32(34)24-38-35(39)30-9-11-33(12-10-30)37-21-27-15-28(22-37)17-29(16-27)23-37/h3-13,20,27-29,31H,2,14-19,21-24H2,1H3,(H,38,39)(H,40,41)/t27-,28+,29-,31-,37-/m0/s1","","2010-09-07","2011-07-22","(2S)-2-benzyl-3-{4-propoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]phenyl}propanoic acid",""],["3YI","(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam\nethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate","C38 H47 N O13","c1(c4c(O)c(c3OC2(OC=CC(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C=CC=C(C(Nc1c(c(O)c4c3C2=O)C=O)=O)C)C)C)C)C)C)C)O;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)c(C=O)c(O)c4c3C2=O;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1","3-formyl rifamycin SV","2017-10-26","2020-06-17","(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate","2018-07-18"],["3YJ","11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide","C33 H53 N O3","CCCN(C)C(=O)CCCCCCCCCCC1Cc2cc(O)ccc2C2CCC3(C)C(CCC3O)C21;CCCN(C)C(=O)CCCCCCCCCC[CH]1Cc2cc(O)ccc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]13;CCCN(C)C(=O)CCCCCCCCCCC1Cc2cc(ccc2C3C1C4CCC(C4(CC3)C)O)O","InChI=1S/C33H53NO3/c1-4-21-34(3)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36H,4-14,17-22H2,1-3H3/t24-,28-,29+,30+,32-,33+/m1/s1","","2021-07-07","2022-07-01","11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide","2022-07-06"],["M7T","~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide","C22 H28 N4 O2 S","O=C(NCc1ccc(CN2CCCC2)cc1)N3CCN(CC3)C(=O)c4sccc4;c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4","InChI=1S/C22H28N4O2S/c27-21(20-4-3-15-29-20)25-11-13-26(14-12-25)22(28)23-16-18-5-7-19(8-6-18)17-24-9-1-2-10-24/h3-8,15H,1-2,9-14,16-17H2,(H,23,28)","","2019-10-04","2019-11-01","~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide","2019-11-06"],["3YM","3-methoxy-L-tyrosine","C10 H13 N O4","O=C(O)C(N)Cc1cc(OC)c(O)cc1;COc1cc(C[CH](N)C(O)=O)ccc1O;COc1cc(ccc1O)CC(C(=O)O)N","InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1","","2012-10-29","2024-09-27","3-methoxy-L-tyrosine","2013-10-30"],["M7U","(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate","C38 H75 O8 P","[O-]P(=O)([O-])OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)CO[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)O","InChI=1S/C38H75O8P/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-38(40)46-36(34-45-47(41,42)43)33-44-37(39)31-27-23-20-19-22-26-30-35(3)29-25-21-11-9-7-5-2/h35-36H,4-34H2,1-3H3,(H2,41,42,43)/p-2/t35-,36-/m1/s1","","2013-09-19","2013-10-04","(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate","2013-10-09"],["3YN","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl\n(2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate","C16 H24 N2 O14 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3)C)O)O)C;C[CH]1O[CH](C[CH](O)C1=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1C(=O)C(CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O","InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1","TDP-4-keto-D-olivose","2014-12-10","2020-06-17","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2015-01-28"],["M7V","(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid","C10 H17 N O4","CCCCC1(C(C(C(O)=O)N)C1)C(O)=O;CCCC[C]1(C[CH]1[CH](N)C(O)=O)C(O)=O;CCCCC1(CC1C(C(=O)O)N)C(=O)O","InChI=1S/C10H17NO4/c1-2-3-4-10(9(14)15)5-6(10)7(11)8(12)13/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10-/m0/s1","","2019-03-27","2020-03-27","(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid","2020-04-01"],["3YO","N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide","C27 H24 F N7 O2 S","O=C3C(Nc1nn2c(c1)CN(C)CC2)=CC(=NN3)c4c(c(c(F)cc4)NC(=O)c6sc5ccccc5c6)C;CN1CCn2nc(NC3=CC(=NNC3=O)c4ccc(F)c(NC(=O)c5sc6ccccc6c5)c4C)cc2C1;Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C","InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)","","2014-12-10","2015-11-27","N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide","2015-12-02"],["M7W","4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide","C20 H24 N4 O3","COc1ccc(CNC(=O)N2CCN(CC2)c3ccc(cc3)C(C)=O)cn1;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC","InChI=1S/C20H24N4O3/c1-15(25)17-4-6-18(7-5-17)23-9-11-24(12-10-23)20(26)22-14-16-3-8-19(27-2)21-13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)","","2019-10-04","2019-11-01","4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide","2019-11-06"],["M7X","2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide","C14 H13 Cl N2 O","O=C(Nc1cc(C)cnc1)Cc1cccc(Cl)c1;Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1;Cc1cc(cnc1)NC(=O)Cc2cccc(c2)Cl","InChI=1S/C14H13ClN2O/c1-10-5-13(9-16-8-10)17-14(18)7-11-3-2-4-12(15)6-11/h2-6,8-9H,7H2,1H3,(H,17,18)","","2023-08-15","2023-11-03","2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide","2023-11-08"],["3YP","3-CYCLOPENTYL-N-HYDROXYPROPANAMIDE","C8 H15 N O2","O=C(NO)CCC1CCCC1;ONC(=O)CCC1CCCC1;C1CCC(C1)CCC(=O)NO","InChI=1S/C8H15NO2/c10-8(9-11)6-5-7-3-1-2-4-7/h7,11H,1-6H2,(H,9,10)","","2005-06-24","2011-06-04","3-cyclopentyl-N-hydroxypropanamide",""],["3YQ","{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)","C7 H12 N2 O6 P2","O=P(O)(O)C(Nc1ncccc1C)P(=O)(O)O;Cc1cccnc1NC([P](O)(O)=O)[P](O)(O)=O;Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)","","2014-12-11","2015-04-10","{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)","2015-04-15"],["M7Y","(2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide","C19 H25 N3 O3","c1(c([C@H]=CC(=O)NO)cccc1)N3C(CN(C2CCCC2)C3=O)(C)C;CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3C=CC(=O)NO;CC1(CN(C(=O)N1c2ccccc2C=CC(=O)NO)C3CCCC3)C","InChI=1S/C19H25N3O3/c1-19(2)13-21(15-8-4-5-9-15)18(24)22(19)16-10-6-3-7-14(16)11-12-17(23)20-25/h3,6-7,10-12,15,25H,4-5,8-9,13H2,1-2H3,(H,20,23)/b12-11+","","2019-03-27","2020-03-27","(2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide","2020-04-01"],["M7Z","4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide","C20 H21 Cl N4 O","Clc1ccc(cc1)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2;c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl","InChI=1S/C20H21ClN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)","","2019-10-04","2019-11-01","4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide","2019-11-06"],["3YR","2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide","C19 H16 F2 N4 O2 S","Fc1c(c(F)ccc1)c2nc(cs2)C(=O)Nc4c(OC3CCNC3)ccnc4;Fc1cccc(F)c1c2scc(n2)C(=O)Nc3cnccc3O[CH]4CCNC4;c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCNC4)F","InChI=1S/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/m0/s1","","2014-12-10","2015-02-06","2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide","2015-02-11"],["M80","3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID","C26 H26 N2 O5","O=C(O)CCc1ccc(cc1)NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3;OC(=O)CCc1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1;c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3","InChI=1S/C26H26N2O5/c29-24(30)16-13-19-11-14-22(15-12-19)27-25(31)23(17-20-7-3-1-4-8-20)28-26(32)33-18-21-9-5-2-6-10-21/h1-12,14-15,23H,13,16-18H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1","","2010-03-31","2011-06-04","3-[4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)phenyl]propanoic acid",""],["3YS","N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide","C18 H16 F2 N4 O2 S","Fc1ccc(nc1)C(=O)Nc2cc(c(F)cc2)C43N=C(SCC3COC4)N;NC1=N[C]2(COC[CH]2CS1)c3cc(NC(=O)c4ccc(F)cn4)ccc3F;c1cc(c(cc1NC(=O)c2ccc(cn2)F)C34COCC3CSC(=N4)N)F","InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1","","2014-12-10","2014-12-19","N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide","2014-12-24"],["3YT","2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide","C19 H23 N9 O","O=C(N)c1cnc(nc1Nc2cccc(c2)n3nccn3)NC4CCCCC4N;N[CH]1CCCC[CH]1Nc2ncc(C(N)=O)c(Nc3cccc(c3)n4nccn4)n2;c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N","InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1","","2014-12-11","2015-03-13","2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide","2015-03-18"],["M81","1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid","C12 H9 Cl N2 O4","O=C(O)c1cc(nn1Cc2c(Cl)cccc2)C(=O)O;OC(=O)c1cc(n(Cc2ccccc2Cl)n1)C(O)=O;c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl","InChI=1S/C12H9ClN2O4/c13-8-4-2-1-3-7(8)6-15-10(12(18)19)5-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)(H,18,19)","","2014-12-03","2015-08-14","1-(2-chlorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid","2015-08-19"],["3YU","(2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide","C28 H23 Cl N10 O","Clc2cc(c(n1nnnc1)cc2)C=CC(=O)NC(c5nc(c3ccc4c(c3)nnc4N)cn5)Cc6ccccc6;Nc1n[nH]c2cc(ccc12)c3c[nH]c(n3)[CH](Cc4ccccc4)NC(=O)C=Cc5cc(Cl)ccc5n6cnnn6;c1ccc(cc1)CC(c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)C=Cc5cc(ccc5n6cnnn6)Cl","InChI=1S/C28H23ClN10O/c29-20-8-10-25(39-16-32-37-38-39)19(13-20)7-11-26(40)33-23(12-17-4-2-1-3-5-17)28-31-15-24(34-28)18-6-9-21-22(14-18)35-36-27(21)30/h1-11,13-16,23H,12H2,(H,31,34)(H,33,40)(H3,30,35,36)/b11-7+/t23-/m0/s1","","2014-12-10","2015-02-13","(2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide","2015-02-18"],["M82","4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide","C20 H21 I N4 O","Ic1ccc(cc1)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2;c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I","InChI=1S/C20H21IN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)","","2019-10-04","2019-11-01","4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide","2019-11-06"],["3YV","3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide","C18 H22 N10 O","O=C(N)c1nnc(nc1Nc2cccc(c2)n3nccn3)NC4CCCCC4N;N[CH]1CCCC[CH]1Nc2nnc(C(N)=O)c(Nc3cccc(c3)n4nccn4)n2;c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)NC4CCCCC4N)C(=O)N","InChI=1S/C18H22N10O/c19-13-6-1-2-7-14(13)24-18-25-17(15(16(20)29)26-27-18)23-11-4-3-5-12(10-11)28-21-8-9-22-28/h3-5,8-10,13-14H,1-2,6-7,19H2,(H2,20,29)(H2,23,24,25,27)/t13-,14+/m0/s1","","2014-12-11","2015-03-13","3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide","2015-03-18"],["M83","5-(3-cyanophenyl)furan-2-carboxylic acid","C12 H7 N O3","OC(=O)c1oc(cc1)c2cccc(c2)C#N;c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N","InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15)","","2020-06-05","2020-06-26","5-(3-cyanophenyl)furan-2-carboxylic acid","2020-07-01"],["M84","3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID","C16 H15 N O3","O=C(Nc1ccc(cc1)CCC(=O)O)c2ccccc2;OC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1;c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O","InChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19)","","2010-03-31","2011-06-04","3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid",""],["3YW","(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside","C11 H21 N O8","O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O)CO;CC(=O)NC1C(C(C(OC1OCC(CO)O)CO)O)O","InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1","(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside; (2S)-2,3-dihydroxypropyl\n2-acetamido-2-deoxy-alpha-D-glucoside; (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-D-glucoside;\n(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-glucoside","2014-12-10","2020-07-17","(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside","2015-02-25"],["3YX","3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide","C18 H22 N8 O","O=C(N)c1nnc(nc1Nc2cccc3c2ncc3)NC4CCCCC4N;N[CH]1CCCC[CH]1Nc2nnc(C(N)=O)c(Nc3cccc4cc[nH]c34)n2;c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)NC4CCCCC4N)C(=O)N","InChI=1S/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,12+/m0/s1","","2014-12-11","2015-03-13","3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide","2015-03-18"],["M85","7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine","C18 H19 N3 O","CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1;CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N","InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)","","2015-08-21","2015-10-23","7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine","2015-10-28"],["3YY","(5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione","C18 H13 F N4 O2","O=C4NC(=O)NC4c1cn(nc1c2ccc(F)cc2)c3ccccc3;Fc1ccc(cc1)c2nn(cc2[CH]3NC(=O)NC3=O)c4ccccc4;c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C4C(=O)NC(=O)N4","InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)/t16-/m1/s1","","2010-12-14","2011-06-04","(5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione",""],["M86","2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","C28 H40 N4 O7 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)CC)CC(O)C(NC(=O)OCCN2C(=O)NCC2)Cc3ccccc3;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)[S](=O)(=O)c3ccc(OC)cc3;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC","InChI=1S/C28H40N4O7S/c1-4-21(2)19-32(40(36,37)24-12-10-23(38-3)11-13-24)20-26(33)25(18-22-8-6-5-7-9-22)30-28(35)39-17-16-31-15-14-29-27(31)34/h5-13,21,25-26,33H,4,14-20H2,1-3H3,(H,29,34)(H,30,35)/t21-,25-,26+/m0/s1","","2012-02-03","2012-07-27","2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate",""],["M87","7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine","C18 H18 F N3","Fc1cccc(c1)CCNCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1;c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N","InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)","","2013-10-08","2014-04-28","7-({[2-(3-fluorophenyl)ethyl]amino}methyl)quinolin-2-amine","2014-02-19"],["3YZ","[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone","C26 H30 N6 O3","O=C(c5cc4nc(c2cc1cccnc1n2CC3CC3)n(c4c(OC)c5)C)N6CCC(O)C(N)C6;COc1cc(cc2nc(n(C)c12)c3cc4cccnc4n3CC5CC5)C(=O)N6CC[CH](O)[CH](N)C6;Cn1c2c(cc(cc2OC)C(=O)N3CCC(C(C3)N)O)nc1c4cc5cccnc5n4CC6CC6","InChI=1S/C26H30N6O3/c1-30-23-19(10-17(12-22(23)35-2)26(34)31-9-7-21(33)18(27)14-31)29-25(30)20-11-16-4-3-8-28-24(16)32(20)13-15-5-6-15/h3-4,8,10-12,15,18,21,33H,5-7,9,13-14,27H2,1-2H3/t18-,21+/m0/s1","","2014-12-10","2015-01-23","[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone","2015-01-28"],["3Z0","[(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone","C24 H28 N6 O2","O=C(c4cc3nc(c2cc1cccnc1n2CC)n(c3c(OC)c4)C)N5CCCC(N)C5;CCn1c(cc2cccnc12)c3nc4cc(cc(OC)c4n3C)C(=O)N5CCC[CH](N)C5;CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCCC(C5)N","InChI=1S/C24H28N6O2/c1-4-30-19(12-15-7-5-9-26-22(15)30)23-27-18-11-16(13-20(32-3)21(18)28(23)2)24(31)29-10-6-8-17(25)14-29/h5,7,9,11-13,17H,4,6,8,10,14,25H2,1-3H3/t17-/m1/s1","","2014-12-10","2015-01-23","[(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone","2015-01-28"],["M88","1-(8Z-hexadecenoyl)-sn-glycerol","C19 H36 O4","CCCCCCCC=CCCCCCCC(=O)OC[CH](O)CO;CCCCCCCC=CCCCCCCC(=O)OCC(CO)O","InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h8-9,18,20-21H,2-7,10-17H2,1H3/b9-8-/t18-/m0/s1","2,3-dihydroxypropyl (Z)-hexadec-8-enoate; [(2S)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-8-enoate","2018-01-03","2023-09-16","[(2~{S})-2,3-bis(oxidanyl)propyl] (~{Z})-hexadec-8-enoate","2021-02-03"],["3Z1","2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide","C25 H22 F3 N5 O2","FC(F)(F)c1cc(ccc1OC)NC(=O)c4ccc(c(c3cc2c(nc(nc2)NC)cc3)c4N)C;CNc1ncc2cc(ccc2n1)c3c(C)ccc(c3N)C(=O)Nc4ccc(OC)c(c4)C(F)(F)F;Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC","InChI=1S/C25H22F3N5O2/c1-13-4-7-17(23(34)32-16-6-9-20(35-3)18(11-16)25(26,27)28)22(29)21(13)14-5-8-19-15(10-14)12-31-24(30-2)33-19/h4-12H,29H2,1-3H3,(H,32,34)(H,30,31,33)","","2014-12-11","2015-01-23","2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide","2015-01-28"],["M89","(3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile","C13 H9 N3 O3 S","O=C1NC=C(NC1=O)C1COc2cc(ccc2S1)C#N;O=C1NC=C(NC1=O)[CH]2COc3cc(ccc3S2)C#N;c1cc2c(cc1C#N)OCC(S2)C3=CNC(=O)C(=O)N3","InChI=1S/C13H9N3O3S/c14-4-7-1-2-10-9(3-7)19-6-11(20-10)8-5-15-12(17)13(18)16-8/h1-3,5,11H,6H2,(H,15,17)(H,16,18)/t11-/m0/s1","","2022-03-14","2022-06-03","(3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile","2022-06-08"],["M8A","benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate","C22 H24 N2 O4","O=CCCc1ccc(cc1)NC(=O)C3N(C(=O)OCc2ccccc2)CCC3;O=CCCc1ccc(NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)cc1;c1ccc(cc1)COC(=O)N2CCCC2C(=O)Nc3ccc(cc3)CCC=O","InChI=1S/C22H24N2O4/c25-15-5-8-17-10-12-19(13-11-17)23-21(26)20-9-4-14-24(20)22(27)28-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,15,20H,4-5,8-9,14,16H2,(H,23,26)/t20-/m1/s1","","2014-08-27","2015-02-20","benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate","2015-02-25"],["3Z2","N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide","C32 H26 N6 O5","O=C2C(=C(N(N2c1ccccc1)C)c3ccncc3)C(=O)Nc6ncc(Oc4c5cc(OC)c(OC)cc5ncc4)cc6;COc1cc2nccc(Oc3ccc(NC(=O)C4=C(N(C)N(C4=O)c5ccccc5)c6ccncc6)nc3)c2cc1OC;CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6","InChI=1S/C32H26N6O5/c1-37-30(20-11-14-33-15-12-20)29(32(40)38(37)21-7-5-4-6-8-21)31(39)36-28-10-9-22(19-35-28)43-25-13-16-34-24-18-27(42-3)26(41-2)17-23(24)25/h4-19H,1-3H3,(H,35,36,39)","","2014-12-11","2015-01-30","N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide","2015-02-04"],["3Z3","4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one","C33 H27 F N6 O2","Fc2c1c(nc(nc1)NC)ccc2c3c(ccc(c3N)C(=O)C=5C(=O)N(c4ccccc4)N(C=5c6ccccc6)C)C;CNc1ncc2c(F)c(ccc2n1)c3c(C)ccc(c3N)C(=O)C4=C(N(C)N(C4=O)c5ccccc5)c6ccccc6;Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6","InChI=1S/C33H27FN6O2/c1-19-14-15-23(29(35)26(19)22-16-17-25-24(28(22)34)18-37-33(36-2)38-25)31(41)27-30(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)","","2014-12-11","2015-01-23","4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one","2015-01-28"],["M8B","methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","C37 H52 Br N5 O6","O=C(OC)NC(C(=O)NN(Cc1ccc(Br)cc1)CCCC3(O)C(=O)NC(C(=O)NCC=CCc2ccc(cc2)C3)C(C)(C)C)C(C)(C)C;COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)(C)C)cc2)Cc3ccc(Br)cc3)C(C)(C)C;CC(C)(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)C(C(C)(C)C)NC(=O)OC)O","InChI=1S/C37H52BrN5O6/c1-35(2,3)29-31(44)39-21-9-8-11-25-12-14-26(15-13-25)23-37(48,33(46)40-29)20-10-22-43(24-27-16-18-28(38)19-17-27)42-32(45)30(36(4,5)6)41-34(47)49-7/h8-9,12-19,29-30,48H,10-11,20-24H2,1-7H3,(H,39,44)(H,40,46)(H,41,47)(H,42,45)/b9-8-/t29-,30-,37-/m1/s1","","2013-03-01","2014-09-05","methyl {(2S)-1-[2-(4-bromobenzyl)-2-{3-[(3R,6S,10Z)-6-tert-butyl-3-hydroxy-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","2013-11-06"],["M8C","methyl alpha-D-galactopyranuronate","C7 H12 O7","O=C(OC)C1OC(O)C(O)C(O)C1O;COC(=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;COC(=O)C1C(C(C(C(O1)O)O)O)O","InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6-/m0/s1","ALPHA-D-GALACTOPYRANURONIC METHYL ESTER; (2S,3R,4S,5R,6S)-METHYL\n3,4,5,6-TETRAHYDROXY-TETRAHYDRO-2H-PYRAN-2-CARBOXYLATE","2006-11-15","2020-07-17","methyl alpha-D-galactopyranuronate",""],["3Z4","4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one","C32 H27 N5 O2 S","O=C3N(c1ccccc1)N(C(c2ccccc2)=C3C(=O)c6ccc(c(c4ccc5nc(sc5c4)NC)c6N)C)C;CNc1sc2cc(ccc2n1)c3c(C)ccc(c3N)C(=O)C4=C(N(C)N(C4=O)c5ccccc5)c6ccccc6;Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6","InChI=1S/C32H27N5O2S/c1-19-14-16-23(28(33)26(19)21-15-17-24-25(18-21)40-32(34-2)35-24)30(38)27-29(20-10-6-4-7-11-20)36(3)37(31(27)39)22-12-8-5-9-13-22/h4-18H,33H2,1-3H3,(H,34,35)","","2014-12-11","2015-01-23","4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one","2015-01-28"],["3Z5","4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one","C34 H28 N4 O2","O=C2C(=C(N(N2c1ccccc1)C)c3ccccc3)C(=O)c6ccc(c(c5cc4ccc(nc4cc5)C)c6N)C;CN1N(c2ccccc2)C(=O)C(=C1c3ccccc3)C(=O)c4ccc(C)c(c5ccc6nc(C)ccc6c5)c4N;Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6","InChI=1S/C34H28N4O2/c1-21-14-18-27(31(35)29(21)25-17-19-28-24(20-25)16-15-22(2)36-28)33(39)30-32(23-10-6-4-7-11-23)37(3)38(34(30)40)26-12-8-5-9-13-26/h4-20H,35H2,1-3H3","","2014-12-11","2015-01-23","4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one","2015-01-28"],["M8D","5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine","C22 H27 N3","CCCCCc1cc2c(Cc3cccc(CN)c3)cccc2nc1N;CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN","InChI=1S/C22H27N3/c1-2-3-4-9-19-14-20-18(10-6-11-21(20)25-22(19)24)13-16-7-5-8-17(12-16)15-23/h5-8,10-12,14H,2-4,9,13,15,23H2,1H3,(H2,24,25)","","2015-07-07","2016-07-15","5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine","2016-07-20"],["3Z6","1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone","C25 H21 F4 N5 O","FC(F)(F)c1cc(cc(F)c1)CC(=O)N3c2ccc(cc2CC3)c5c4c(nc(nc4n(c5)C)C)N;Cn1cc(c2ccc3N(CCc3c2)C(=O)Cc4cc(F)cc(c4)C(F)(F)F)c5c(N)nc(C)nc15;Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N","InChI=1S/C25H21F4N5O/c1-13-31-23(30)22-19(12-33(2)24(22)32-13)15-3-4-20-16(10-15)5-6-34(20)21(35)9-14-7-17(25(27,28)29)11-18(26)8-14/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H2,30,31,32)","","2014-12-11","2015-01-23","1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone","2015-01-28"],["M8E","5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine","C17 H27 N7 O4","n2c1c(ncnc1n(c2C=C)C3OC(C(O)C3O)CN(CCCCON)C)N;CN(CCCCON)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C=C)nc3c(N)ncnc23;CN(CCCCON)CC1C(C(C(O1)n2c(nc3c2ncnc3N)C=C)O)O","InChI=1S/C17H27N7O4/c1-3-11-22-12-15(18)20-9-21-16(12)24(11)17-14(26)13(25)10(28-17)8-23(2)6-4-5-7-27-19/h3,9-10,13-14,17,25-26H,1,4-8,19H2,2H3,(H2,18,20,21)/t10-,13-,14-,17-/m1/s1","","2008-07-31","2011-06-04","5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine",""],["3Z7","4-bromo-2-methoxyphenol","C7 H7 Br O2","Brc1cc(OC)c(O)cc1;COc1cc(Br)ccc1O;COc1cc(ccc1O)Br","InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3","","2014-12-11","2015-03-20","4-bromo-2-methoxyphenol","2015-03-25"],["M8F","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine","C14 H25 N3 O6 S2","O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS;CSCC[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CSCCC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1","L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine","2011-01-19","2020-06-17","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine",""],["3Z8","7-chloro-3,4-dihydroisoquinolin-1(2H)-one","C9 H8 Cl N O","Clc2ccc1c(C(=O)NCC1)c2;Clc1ccc2CCNC(=O)c2c1;c1cc2c(cc1Cl)C(=O)NCC2","InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)","","2014-12-11","2015-03-20","7-chloro-3,4-dihydroisoquinolin-1(2H)-one","2015-03-25"],["M8G","N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide","C22 H18 N2 O4","c1cc(ccc1)Oc2ccccc2C(Nc3ccccc3C=CC(=O)NO)=O;ONC(=O)C=Cc1ccccc1NC(=O)c2ccccc2Oc3ccccc3;c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3C=CC(=O)NO","InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+","","2019-03-27","2020-03-27","N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide","2020-04-01"],["3Z9","methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate","C34 H40 N4 O8 S","O=C(N2C(c1c(ccc(NC(=O)OC)c1)S(=O)(=O)C(C)C)CCC2)C(c3ccc(OC)c(OC)c3)Nc5cc4C(=O)NCCc4cc5;COC(=O)Nc1ccc(c(c1)[CH]2CCCN2C(=O)[CH](Nc3ccc4CCNC(=O)c4c3)c5ccc(OC)c(OC)c5)[S](=O)(=O)C(C)C;CC(C)S(=O)(=O)c1ccc(cc1C2CCCN2C(=O)C(c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC","InChI=1S/C34H40N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-13,17-20,27,31,36H,6-7,14-16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1","","2014-12-11","2015-03-20","methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate","2015-03-25"],["M8I","3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid","C20 H17 F N2 O3","NC(=O)c1ccc(cc1)n1c(ccc1CCC(=O)O)c1ccc(F)cc1;NC(=O)c1ccc(cc1)n2c(CCC(O)=O)ccc2c3ccc(F)cc3;c1cc(ccc1c2ccc(n2c3ccc(cc3)C(=O)N)CCC(=O)O)F","InChI=1S/C20H17FN2O3/c21-15-5-1-13(2-6-15)18-11-9-17(10-12-19(24)25)23(18)16-7-3-14(4-8-16)20(22)26/h1-9,11H,10,12H2,(H2,22,26)(H,24,25)","","2023-05-05","2023-06-09","3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid","2023-06-14"],["3ZA","(4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid","C9 H16 N2 O6","O=C(N(O)C)CCC(C(=O)O)CC(C(=O)O)N;CN(O)C(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O;CN(C(=O)CCC(CC(C(=O)O)N)C(=O)O)O","InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1","","2012-12-27","2013-03-01","(4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid","2013-03-06"],["M8J","2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide","C15 H18 N4 O5 S","c1cc(ccc1NC(CN3C(C2(CCCC2)NC3=O)=O)=O)S(N)(=O)=O;N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1;c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N","InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)","","2019-03-27","2019-06-07","2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide","2019-06-12"],["3ZB","5-chloro-1H-indole-2-carboxylic acid","C9 H6 Cl N O2","O=C(O)c2cc1cc(Cl)ccc1n2;OC(=O)c1[nH]c2ccc(Cl)cc2c1;c1cc2c(cc1Cl)cc([nH]2)C(=O)O","InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)","","2014-12-11","2015-03-20","5-chloro-1H-indole-2-carboxylic acid","2015-03-25"],["M8K","4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide","C21 H21 N5 O","O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c4ccc(cc4)C#N;c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4","InChI=1S/C21H21N5O/c22-13-15-4-6-16(7-5-15)21(27)23-17-8-9-18-19(12-17)25-20(24-18)14-26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,14H2,(H,23,27)(H,24,25)","","2019-10-04","2019-11-01","4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide","2019-11-06"],["3ZC","6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide","C26 H25 N3 O4","O=C(NC)c5cccc4cc(Oc2c3cc(OC)c(OCC1(N)CC1)cc3ncc2)ccc45;CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12;CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC","InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)","","2014-12-12","2015-04-10","6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide","2015-04-15"],["M8M","5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine","C14 H23 N7 O4","n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(CCON)C)N;CN(CCON)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23;Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CCON)O)O)N","InChI=1S/C14H23N7O4/c1-7-19-9-12(15)17-6-18-13(9)21(7)14-11(23)10(22)8(25-14)5-20(2)3-4-24-16/h6,8,10-11,14,22-23H,3-5,16H2,1-2H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1","","2008-07-31","2024-09-27","5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine",""],["M8N","~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine","C13 H22 N2 O","CC(C)CCc1ccc(NCNO)c(C)c1;Cc1cc(ccc1NCNO)CCC(C)C","InChI=1S/C13H22N2O/c1-10(2)4-5-12-6-7-13(11(3)8-12)14-9-15-16/h6-8,10,14-16H,4-5,9H2,1-3H3","","2019-10-04","2020-10-09","~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine","2020-10-14"],["3ZD","(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide","C27 H31 N5 O4 S","C[CH](NC(=O)[CH](Cc1ccccc1)N[S](=O)(=O)Cc2ccccc2)C(=O)NCc3ccc(cc3)C(N)=N;CC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(Cc2ccccc2)NS(=O)(=O)Cc3ccccc3","InChI=1S/C27H31N5O4S/c1-19(26(33)30-17-21-12-14-23(15-13-21)25(28)29)31-27(34)24(16-20-8-4-2-5-9-20)32-37(35,36)18-22-10-6-3-7-11-22/h2-15,19,24,32H,16-18H2,1H3,(H3,28,29)(H,30,33)(H,31,34)/t19-,24+/m0/s1","","2015-03-16","2016-01-22","(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide","2016-01-27"],["M8O","4-Maleylacetoacetic acid","C8 H8 O6","O=C(/C=CC(=O)O)CC(=O)CC(=O)O;OC(=O)CC(=O)CC(=O)C=CC(O)=O;C(C(=O)CC(=O)O)C(=O)C=CC(=O)O","InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)","","2012-12-03","2014-09-05","(2Z)-4,6-dioxooct-2-enedioic acid","2013-07-24"],["3ZE","{2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid","C11 H15 N6 O6 P","O=C(N3CC(n1c2N=C(N)NC(=O)c2nc1)C(O)C3)CP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3O)C(=O)C[P](O)(O)=O;c1nc2c(n1C3CN(CC3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C11H15N6O6P/c12-11-14-9-8(10(20)15-11)13-4-17(9)5-1-16(2-6(5)18)7(19)3-24(21,22)23/h4-6,18H,1-3H2,(H2,21,22,23)(H3,12,14,15,20)/t5-,6+/m0/s1","","2014-12-16","2014-12-19","{2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid","2014-12-24"],["3ZF","{2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid","C11 H15 N6 O5 P","O=C(N3CCC(n2cnc1c2N=C(N)NC1=O)C3)CP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3CCN(C3)C(=O)C[P](O)(O)=O;c1nc2c(n1C3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C11H15N6O5P/c12-11-14-9-8(10(19)15-11)13-5-17(9)6-1-2-16(3-6)7(18)4-23(20,21)22/h5-6H,1-4H2,(H2,20,21,22)(H3,12,14,15,19)/t6-/m0/s1","","2014-12-16","2014-12-19","{2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid","2014-12-24"],["M8P","N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide","C19 H18 N2 O7 S","O=C4NC(=N/C(=O)c2cc1ccccc1cc2)/SC43OC(C(O)C(O)C3O)CO;OC[CH]1O[C]2(SC(NC2=O)=NC(=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)C(=O)N=C3NC(=O)C4(S3)C(C(C(C(O4)CO)O)O)O","InChI=1S/C19H18N2O7S/c22-8-12-13(23)14(24)15(25)19(28-12)17(27)21-18(29-19)20-16(26)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,22-25H,8H2,(H,20,21,26,27)/t12-,13-,14+,15-,19-/m1/s1","","2014-03-15","2014-08-01","N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide","2014-08-06"],["3ZG","1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea","C16 H18 N4 O2","O=C(N1CCCC1)CNC(=O)Nc3cc2ccncc2cc3;O=C(NCC(=O)N1CCCC1)Nc2ccc3cnccc3c2;c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3","InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)","","2014-12-17","2015-02-20","1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea","2015-02-25"],["M8Q","3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid","C15 H15 N O4 S","C[S](=O)(=O)NCc1cccc(c1)c2cccc(c2)C(O)=O;CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C15H15NO4S/c1-21(19,20)16-10-11-4-2-5-12(8-11)13-6-3-7-14(9-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)","","2017-07-27","2018-01-05","3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid","2018-01-10"],["M8R","(2~{S})-2-(9~{H}-fluoren-9-ylmethoxycarbonylamino)-3-(4-oxidanylidene-5~{H}-pyrimidin-2-yl)propanoic acid","C22 H19 N3 O5","OC(=O)[CH](CC1=NC(=O)CC=N1)NC(=O)OCC2c3ccccc3c4ccccc24;c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC4=NC(=O)CC=N4)C(=O)O","InChI=1S/C22H19N3O5/c26-20-9-10-23-19(25-20)11-18(21(27)28)24-22(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,17-18H,9,11-12H2,(H,24,29)(H,27,28)/t18-/m0/s1","","2022-12-23","2024-01-12","(2~{S})-2-(9~{H}-fluoren-9-ylmethoxycarbonylamino)-3-(4-oxidanylidene-5~{H}-pyrimidin-2-yl)propanoic acid","2024-01-17"],["3ZH","11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid","C31 H51 N3 O4","O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2;N[CH](CC1=CN(CCCCCCCCCCC(O)=O)CN1CCCCCCCCc2ccccc2)C(O)=O;c1ccc(cc1)CCCCCCCCN2CN(C=C2CC(C(=O)O)N)CCCCCCCCCCC(=O)O","InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1","","2014-12-12","2024-09-27","11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid","2015-07-29"],["3ZI","(3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","C16 H16 F N3 O2","Fc1cccc2c(C[CH]3NC(=O)[CH]4CCCN4C3=O)c[nH]c12;c1cc2c(c[nH]c2c(c1)F)CC3C(=O)N4CCCC4C(=O)N3","InChI=1S/C16H16FN3O2/c17-11-4-1-3-10-9(8-18-14(10)11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1","","2022-12-19","2023-04-14","(3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","2023-04-19"],["M8S","2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide","C17 H22 N4 O5 S","c1cc(ccc1NC(CN3C(=O)C2(CCCCCC2)NC3=O)=O)S(N)(=O)=O;N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1;c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N","InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)","","2019-03-27","2019-06-07","2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide","2019-06-12"],["M8T","2'-fluoro-,3',3'-c-di-AMP","C20 H22 F2 N10 O10 P2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5F)n6cnc7c6ncnc7N)O)F)N","InChI=1S/C20H22F2N10O10P2/c21-9-13-7(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-/m1/s1","","2019-10-07","2021-05-14","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine","2021-05-19"],["3ZJ","N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide","C27 H39 N3 O6 S","O=S(=O)(NC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)Cc3ccccc3;COCCCOc1cc(ccc1OC)C(=O)N(C[CH]2CNC[CH]2N[S](=O)(=O)Cc3ccccc3)C(C)C;CC(C)N(CC1CNCC1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC","InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1","","2014-12-17","2015-03-20","N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide","2015-03-25"],["M8V","2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide","C16 H20 N4 O5 S","c1cc(ccc1NC(CN3C(C2(CCCCC2)NC3=O)=O)=O)S(N)(=O)=O;N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1;c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N","InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)","","2019-03-27","2019-06-07","2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide","2019-06-12"],["3ZK","4-methoxy-3-(3-methoxypropoxy)-N-{[(3S,4S)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide","C27 H39 N3 O6 S","O=S(=O)(NC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)c3ccc(cc3)C;COCCCOc1cc(ccc1OC)C(=O)N(C[CH]2CNC[CH]2N[S](=O)(=O)c3ccc(C)cc3)C(C)C;Cc1ccc(cc1)S(=O)(=O)NC2CNCC2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC","InChI=1S/C27H39N3O6S/c1-19(2)30(27(31)21-9-12-25(35-5)26(15-21)36-14-6-13-34-4)18-22-16-28-17-24(22)29-37(32,33)23-10-7-20(3)8-11-23/h7-12,15,19,22,24,28-29H,6,13-14,16-18H2,1-5H3/t22-,24+/m0/s1","","2014-12-17","2015-03-20","4-methoxy-3-(3-methoxypropoxy)-N-{[(3S,4S)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide","2015-03-25"],["3ZL","N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine","C11 H19 N3 O3","O=C(O)C(N)CCCCN/C=CC(=O)C(=C)/N;N[CH](CCCCNC=CC(=O)C(N)=C)C(O)=O;C=C(C(=O)C=CNCCCCC(C(=O)O)N)N","InChI=1S/C11H19N3O3/c1-8(12)10(15)5-7-14-6-3-2-4-9(13)11(16)17/h5,7,9,14H,1-4,6,12-13H2,(H,16,17)/b7-5-/t9-/m0/s1","","2014-12-15","2024-09-27","N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine","2015-01-14"],["M8X","3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol","C19 H28 N2 O","CN(CCC1CCCCCC1)Cc2c[nH]c3c(O)cccc23;CN(CCC1CCCCCC1)Cc2c[nH]c3c2cccc3O","InChI=1S/C19H28N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h6,9-10,13,15,20,22H,2-5,7-8,11-12,14H2,1H3","","2022-07-26","2023-01-27","3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol","2023-02-01"],["3ZM","5-(4-chlorophenyl)-N-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2R)-piperidin-2-yl]methyl}-1H-pyrrole-2-carboxamide","C22 H25 Cl N4 O2 S","O=C(NC(c1nc(c(s1)CO)C)C2NCCCC2)c4ccc(c3ccc(Cl)cc3)n4;Cc1nc(sc1CO)[CH](NC(=O)c2[nH]c(cc2)c3ccc(Cl)cc3)[CH]4CCCCN4;Cc1c(sc(n1)C(C2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO","InChI=1S/C22H25ClN4O2S/c1-13-19(12-28)30-22(25-13)20(17-4-2-3-11-24-17)27-21(29)18-10-9-16(26-18)14-5-7-15(23)8-6-14/h5-10,17,20,24,26,28H,2-4,11-12H2,1H3,(H,27,29)/t17-,20+/m1/s1","","2014-12-22","2015-09-04","5-(4-chlorophenyl)-N-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2R)-piperidin-2-yl]methyl}-1H-pyrrole-2-carboxamide","2015-09-09"],["M8Y","methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","C36 H50 Br N5 O6","COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(Br)cc3)C(C)(C)C;CC(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)C(C(C)(C)C)NC(=O)OC)O","InChI=1S/C36H50BrN5O6/c1-24(2)29-31(43)38-20-8-7-10-25-11-13-26(14-12-25)22-36(47,33(45)39-29)19-9-21-42(23-27-15-17-28(37)18-16-27)41-32(44)30(35(3,4)5)40-34(46)48-6/h7-8,11-18,24,29-30,47H,9-10,19-23H2,1-6H3,(H,38,43)(H,39,45)(H,40,46)(H,41,44)/b8-7-/t29-,30+,36+/m0/s1","","2013-03-01","2013-11-01","methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","2013-11-06"],["3ZN","(3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate","C28 H39 N3 O6","O=C(OC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)NCc3ccccc3;COCCCOc1cc(ccc1OC)C(=O)N(C[CH]2CNC[CH]2OC(=O)NCc3ccccc3)C(C)C;CC(C)N(CC1CNCC1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC","InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1","","2014-12-22","2015-03-20","(3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate","2015-03-25"],["M8Z","2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide","C24 H30 N8 O","CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N3CCC[CH](N)C3)cc(c1)C(C)(C)C#N;CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCCC(C3)N)C(=O)N)C(C)(C)C#N","InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1","","2019-10-08","2019-11-08","2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide","2019-11-13"],["3ZO","2'-DEOXY-XANTHOSINE-5'-MONOPHOSPHATE","C10 H13 N4 O8 P","O=P(O)(O)OCC3OC(n1cnc2c1NC(=O)NC2=O)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)NC(=O)NC2=O","InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1","2'-deoxy-5'-2,3-dihydroxanthylic acid","2014-12-24","2020-06-17","2'-deoxy-5'-2,3-dihydroxanthylic acid","2015-10-14"],["M90","(2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate","C34 H49 N5 O6 S","O=C(NC(CC1CCCCC1)C(O)COc2ccncc2)C(NC(=O)C(OC(=O)N3CCC(N)CC3)Cc4ccccc4)CSC;CSC[CH](NC(=O)[CH](Cc1ccccc1)OC(=O)N2CC[CH](N)CC2)C(=O)N[CH](CC3CCCCC3)[CH](O)COc4ccncc4;CSCC(C(=O)NC(CC1CCCCC1)C(COc2ccncc2)O)NC(=O)C(Cc3ccccc3)OC(=O)N4CCC(CC4)N","InChI=1S/C34H49N5O6S/c1-46-23-29(32(41)37-28(20-24-8-4-2-5-9-24)30(40)22-44-27-12-16-36-17-13-27)38-33(42)31(21-25-10-6-3-7-11-25)45-34(43)39-18-14-26(35)15-19-39/h3,6-7,10-13,16-17,24,26,28-31,40H,2,4-5,8-9,14-15,18-23,35H2,1H3,(H,37,41)(H,38,42)/t28-,29-,30-,31-/m0/s1","","2010-11-08","2011-07-13","(2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate",""],["M91","(2S)-1-{[(2R)-1-{[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2H)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate","C34 H49 N5 O6 S","O=C1C=CC=CN1CC(O)C(NC(=O)C(NC(=O)C(OC(=O)N2CCC(N)CC2)Cc3ccccc3)CSC)CC4CCCCC4;CSC[CH](NC(=O)[CH](Cc1ccccc1)OC(=O)N2CC[CH](N)CC2)C(=O)N[CH](CC3CCCCC3)[CH](O)CN4C=CC=CC4=O;CSCC(C(=O)NC(CC1CCCCC1)C(CN2C=CC=CC2=O)O)NC(=O)C(Cc3ccccc3)OC(=O)N4CCC(CC4)N","InChI=1S/C34H49N5O6S/c1-46-23-28(32(42)36-27(20-24-10-4-2-5-11-24)29(40)22-39-17-9-8-14-31(39)41)37-33(43)30(21-25-12-6-3-7-13-25)45-34(44)38-18-15-26(35)16-19-38/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1","","2010-11-08","2011-07-13","(2S)-1-{[(2R)-1-{[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2H)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate",""],["3ZP","2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal","C45 H75 N O17","O=C4C=CC(=CC(COC1OC(C(O)C(O)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC=O)CC4C)CC)C;CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](O)[CH](C)O3)[CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O)C=CC(=C[CH]1CO[CH]4O[CH](C)[CH](O)[CH](O)[CH]4OC)C;CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)O)OC","InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-/m1/s1","Macrocin; Tylosin C","2014-12-17","2020-05-26","[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside","2015-03-11"],["3ZQ","(1S,2S)-cyclohexane-1,2-diol","C6 H12 O2","OC1CCCCC1O;O[CH]1CCCC[CH]1O;C1CCC(C(C1)O)O","InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1","","2014-12-18","2024-09-27","(1S,2S)-cyclohexane-1,2-diol","2015-07-15"],["M92","2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide","C21 H31 N7 O","CC(C)c1cc(Nc2nc(ncc2C(N)=O)N3CCC[CH](N)C3)cc(n1)C(C)C;CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCCC(C3)N)C(=O)N","InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1","","2019-10-08","2019-11-08","2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide","2019-11-13"],["3ZR","diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate","C28 H39 Cl N3 O8 P","O=C1N=CC=C1CC(NC(=O)C(NC(=O)OCc2cccc(Cl)c2)CC3CCCCC3)C(O)P(=O)(OCC)OCC;CCO[P](=O)(OCC)[CH](O)[CH](CC1=CC=NC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)OCc3cccc(Cl)c3;CCOP(=O)(C(C(CC1=CC=NC1=O)NC(=O)C(CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC","InChI=1S/C28H39ClN3O8P/c1-3-39-41(37,40-4-2)27(35)24(17-21-13-14-30-25(21)33)31-26(34)23(16-19-9-6-5-7-10-19)32-28(36)38-18-20-11-8-12-22(29)15-20/h8,11-15,19,23-24,27,35H,3-7,9-10,16-18H2,1-2H3,(H,31,34)(H,32,36)/t23-,24-,27?/m0/s1","","2014-12-18","2024-09-27","diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate","2015-03-25"],["M93","(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C16 H15 Cl N2 O3","OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21;OCc1ccncc1NC(=O)[CH]2CCOc3ccc(Cl)cc23;c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cnccc3CO","InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1","","2023-08-15","2023-11-03","(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["3ZS","(1R,5S)-6-oxabicyclo[3.1.0]hexane","C5 H8 O","O1C2CCCC12;C1C[CH]2O[CH]2C1;C1CC2C(C1)O2","InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","","2014-12-19","2015-07-10","(1R,5S)-6-oxabicyclo[3.1.0]hexane","2015-07-15"],["M94","7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine","C19 H21 N3 O","CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1;CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N","InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)","","2015-08-20","2015-10-23","7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine","2015-10-28"],["3ZU","(2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one","C15 H12 N2 O3","[O-][N+]=2c1ccc(OC)cc1C(=O)C=2c3ccc(N)cc3;COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(N)cc3;COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N","InChI=1S/C15H12N2O3/c1-20-11-6-7-13-12(8-11)15(18)14(17(13)19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3","","2014-12-19","2016-01-08","2-(4-aminophenyl)-5-methoxy-3H-indol-3-one 1-oxide","2016-01-13"],["M95","(2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide","C20 H19 N3 O3","O=C3N=C(C=CC(=O)NC(Cc1ccccc1)CO)Nc2ccccc23;OC[CH](Cc1ccccc1)NC(=O)C=CC2=NC(=O)c3ccccc3N2;c1ccc(cc1)CC(CO)NC(=O)C=CC2=NC(=O)c3ccccc3N2","InChI=1S/C20H19N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-11,15,24H,12-13H2,(H,21,25)(H,22,23,26)/b11-10+/t15-/m0/s1","","2013-06-17","2014-02-14","(2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide","2014-02-19"],["M96","(1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C7 H14 O5","OC[CH]1C[CH](O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1O)O)O)O)CO","InChI=1S/C7H14O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3-,4+,5-,6-,7+/m1/s1","","2018-03-06","2019-09-13","(1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2019-09-18"],["3ZV","5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one","C16 H13 N O3","O=C1c3cc(OC)ccc3N=C1c2ccc(OC)cc2;COc1ccc(cc1)C2=Nc3ccc(OC)cc3C2=O;COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC","InChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3","","2014-12-19","2016-01-08","5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one","2016-01-13"],["M97","1-[(3R,4R)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium","C23 H16 N3 O2","O=C6NC(=O)C(C=3c1c2c(ccc1)ccc[n+]2C=3)C6c4cnc5ccccc45;O=C1NC(=O)[CH]([CH]1c2c[nH]c3ccccc23)C4=C[n+]5cccc6cccc4c56;c1ccc2c(c1)c(c[nH]2)C3C(C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6","InChI=1S/C23H15N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-12,19-20,24H/p+1/t19-,20-/m0/s1","","2011-04-12","2011-06-04","1-[(3R,4R)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium",""],["3ZZ","PROTOPORPHYRIN IX CONTAINING INDIUM","C34 H32 In N4 O4","CC1=C(CCC(O)=O)C2=Cc3n4[In]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O","InChI=1S/C34H34N4O4.In/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2012-06-08","2013-05-10","","2013-05-15"],["400","3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE","C27 H30 N6 O2 S","O=C(c1sc4c(c1)nnc4NC(=O)c3ccc(N2CCN(C)CC2)cc3)NC(c5ccccc5)CC;CC[CH](NC(=O)c1sc2c([nH]nc2NC(=O)c3ccc(cc3)N4CCN(C)CC4)c1)c5ccccc5;CCC(c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C","InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1","PHA-828300","2009-09-03","2021-03-01","3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide",""],["M98","(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY\nL)PYRIDINE 1-OXIDE","C23 H18 F8 N2 O4 S","FC(F)Oc2ccc(cc2OC1CC1)C(c3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)Cc4c[n+]([O-])ccc4;OC(c1sc(nc1)[CH](Cc2ccc[n+]([O-])c2)c3ccc(OC(F)F)c(OC4CC4)c3)(C(F)(F)F)C(F)(F)F;c1cc(c[n+](c1)[O-])CC(c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1","2-{2-[(1S)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3\n-HEXAFLUOROPROPAN-2-OL","2006-01-20","2020-06-17","2-{2-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol",""],["M99","(R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE","C23 H18 F8 N2 O4 S","FC(F)Oc2ccc(cc2OC1CC1)C(c3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)Cc4c[n+]([O-])ccc4;OC(c1sc(nc1)[CH](Cc2ccc[n+]([O-])c2)c3ccc(OC(F)F)c(OC4CC4)c3)(C(F)(F)F)C(F)(F)F;c1cc(c[n+](c1)[O-])CC(c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m1/s1","2-{2-[(1R)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL","2006-01-20","2021-03-13","2-{2-[(1R)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol",""],["401","(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid","C21 H21 F4 N O4","FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CC;CC[CH](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O;CCC(Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O","InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1","(S)-2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]-4-methoxybenzyl} butyric acid","2008-05-09","2021-03-01","(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid",""],["402","dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)","C7 H5 Fe2 N3 O3 S2","O=C2[Fe]1(C#N)(C#[O+])S3CNCS1[Fe]23(C#[O+])C#N;O=C1[Fe](SCNCS[Fe]1(C#N)C#[O+])(C#N)C#[O+];C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]","InChI=1S/C2H5NS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3H,1-2H2;;;;;;;/q;;;;2*+1;;","","2014-12-22","2015-11-06","dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)","2015-11-11"],["M9A","5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile","C23 H16 F N3 O4","c4(C#N)ccc1c(cc(cc1Oc3ccccc3OCCN2C=CC(NC2=O)=O)F)c4;Fc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c4ccc(cc4c1)C#N;c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F","InChI=1S/C23H16FN3O4/c24-17-12-16-11-15(14-25)5-6-18(16)21(13-17)31-20-4-2-1-3-19(20)30-10-9-27-8-7-22(28)26-23(27)29/h1-8,11-13H,9-10H2,(H,26,28,29)","","2019-03-27","2019-05-10","5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile","2019-05-15"],["403","(2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide","C20 H24 Cl N3 O4 S","O[CH]([CH](O)C(=O)N1CCN(CC1)c2ccccc2Cl)C(=O)NCCc3sccc3;c1ccc(c(c1)N2CCN(CC2)C(=O)C(C(C(=O)NCCc3cccs3)O)O)Cl","InChI=1S/C20H24ClN3O4S/c21-15-5-1-2-6-16(15)23-9-11-24(12-10-23)20(28)18(26)17(25)19(27)22-8-7-14-4-3-13-29-14/h1-6,13,17-18,25-26H,7-12H2,(H,22,27)/t17-,18-/m1/s1","","2009-11-15","2011-06-04","(2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide",""],["M9B","1-alpha-hydroxy-vitamin D3","C27 H44 O2","CC(C)CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1","","2019-10-08","2020-10-09","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methylheptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2020-10-14"],["404","(2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol","C19 H26 N6 O","n1c(c2c(nc1NC(CC)CO)c(nn2)C(C)C)NCc3ccccc3;CC[CH](CO)Nc1nc(NCc2ccccc2)c3[nH]nc(C(C)C)c3n1;CCC(CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C","InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1","","2010-11-10","2011-06-04","(2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol",""],["M9D","(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine","C11 H12 F N3","c2ccc(c1cnc(C(C)N)n1)c(c2)F;C[CH](N)c1[nH]c(cn1)c2ccccc2F;CC(c1[nH]c(cn1)c2ccccc2F)N","InChI=1S/C11H12FN3/c1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1","","2019-03-27","2019-10-04","(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine","2019-10-09"],["405","(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","C16 H16 F3 N O","FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2;NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2;c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F","InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1","(S)-Norfluoxetine","2014-12-22","2020-06-17","(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","2015-03-18"],["M9E","2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide","C14 H22 N4 O2","CNCC(=O)NCc1ccc(CNC(=O)CNC)cc1;CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC","InChI=1S/C14H22N4O2/c1-15-9-13(19)17-7-11-3-5-12(6-4-11)8-18-14(20)10-16-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,19)(H,18,20)","","2019-10-08","2024-09-27","2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide","2020-01-29"],["406","N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)\nBENZAMIDE","C30 H31 F3 N8 O","FC(F)(F)c4cc(C(=O)Nc3ccc(c(Nc2nc(c1cncnc1)ccn2)c3)C)ccc4CN5CCC(N(C)C)C5;CN(C)[CH]1CCN(C1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cncnc5)c3;Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCC(C5)N(C)C","InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1","INNO-406","2006-11-13","2020-06-17","N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide",""],["M9F","(2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID","C14 H25 N3 O6 S2","CS[CH](C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC(C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N)SC","InChI=1S/C14H25N3O6S2/c1-7(25-2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t7-,8-,9-,11+/m0/s1","","2011-01-21","2011-08-26","(2S)-2-amino-6-[[(2R)-1-[[(2S)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid",""],["M9G","N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide","C30 H31 F N6 O4","c1c(onc1C(=O)NC(C(NC(C)c2nc(cn2)c3ccccc3F)=O)CC(N5CCCC5c4ccccc4)=O)C;C[CH](NC(=O)[CH](CC(=O)N1CCC[CH]1c2ccccc2)NC(=O)c3cc(C)on3)c4[nH]c(cn4)c5ccccc5F;Cc1cc(no1)C(=O)NC(CC(=O)N2CCCC2c3ccccc3)C(=O)NC(C)c4[nH]c(cn4)c5ccccc5F","InChI=1S/C30H31FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40)/t19-,23-,26+/m0/s1","","2019-03-27","2019-10-04","N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide","2019-10-09"],["407","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","C10 H13 F N2 O4 S","Fc1c(cc(cc1)S(=O)(=O)NC(C(=O)NO)C)C;C[CH](N[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)NC(C)C(=O)NO","InChI=1S/C10H13FN2O4S/c1-6-5-8(3-4-9(6)11)18(16,17)13-7(2)10(14)12-15/h3-5,7,13,15H,1-2H3,(H,12,14)/t7-/m1/s1","","2014-09-16","2015-09-04","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","2015-09-09"],["M9H","2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide","C14 H22 N4 O2","CNCC(=O)NCc1cccc(CNC(=O)CNC)c1;CNCC(=O)NCc1cccc(c1)CNC(=O)CNC","InChI=1S/C14H22N4O2/c1-15-9-13(19)17-7-11-4-3-5-12(6-11)8-18-14(20)10-16-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,19)(H,18,20)","","2019-10-08","2024-09-27","2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide","2020-01-29"],["408","(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","C16 H16 F3 N O","FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2;NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2;c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F","InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1","(R)-Norfluoxetine","2014-12-22","2021-03-01","(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","2015-03-18"],["409","N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide","C18 H19 N5 O4 S","O=C(NS(=O)(=O)c3cccc(c2ccc1c(ncnc1N)c2)c3)C(N)C(O)C;C[CH](O)[CH](N)C(=O)N[S](=O)(=O)c1cccc(c1)c2ccc3c(N)ncnc3c2;CC(C(C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O","InChI=1S/C18H19N5O4S/c1-10(24)16(19)18(25)23-28(26,27)13-4-2-3-11(7-13)12-5-6-14-15(8-12)21-9-22-17(14)20/h2-10,16,24H,19H2,1H3,(H,23,25)(H2,20,21,22)/t10-,16+/m1/s1","","2012-11-19","2013-09-13","N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide","2013-09-18"],["M9I","N-(alpha-L-Fucopyranosyl)benzamide","C13 H17 N O5","C[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)NC(=O)c2ccccc2)O)O)O","InChI=1S/C13H17NO5/c1-7-9(15)10(16)11(17)13(19-7)14-12(18)8-5-3-2-4-6-8/h2-7,9-11,13,15-17H,1H3,(H,14,18)/t7-,9+,10+,11-,13+/m0/s1","~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide","2022-07-26","2022-10-28","~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide","2022-11-02"],["40A","N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine","C12 H17 N7 O3","O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C;C[CH](N)CN(CC(O)=O)C(=O)Cn1cnc2c(N)ncnc12;CC(CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N","InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1","","2010-04-26","2024-09-27","N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine",""],["M9J","N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine","C34 H45 N5 S","C1C(CCCC1)(N2CCCC2)c3sc(nc3C#CCNCC4CCC4)c6cc5ccn(c5cc6)CC7CCCN7;C1CCC(CC1)(N2CCCC2)c3sc(nc3C#CCNCC4CCC4)c5ccc6n(C[CH]7CCCN7)ccc6c5;c1cc2c(ccn2CC3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7","InChI=1S/C34H45N5S/c1-2-16-34(17-3-1,39-20-4-5-21-39)32-30(12-8-18-35-24-26-9-6-10-26)37-33(40-32)28-13-14-31-27(23-28)15-22-38(31)25-29-11-7-19-36-29/h13-15,22-23,26,29,35-36H,1-7,9-11,16-21,24-25H2/t29-/m0/s1","","2019-03-28","2019-07-26","N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine","2019-07-31"],["40B","[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)","C19 H18 O7 P2","O=P(O)(O)C(O)(c1cccc(c1)c3cccc(c2ccccc2)c3)P(=O)(O)O;OC(c1cccc(c1)c2cccc(c2)c3ccccc3)([P](O)(O)=O)[P](O)(O)=O;c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C19H18O7P2/c20-19(27(21,22)23,28(24,25)26)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,20H,(H2,21,22,23)(H2,24,25,26)","","2012-09-17","2014-03-28","[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)","2014-04-02"],["M9K","2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid","C11 H9 Cl N2 O2 S2","OC(=O)CSc1ncnc2c1sc(Cl)c2C3CC3;c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3","InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16)","","2019-10-09","2019-12-27","2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid","2020-01-01"],["40C","N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine","C11 H17 N5 O4","O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N;C[CH](N)CN(CC(O)=O)C(=O)CN1C=CC(=NC1=O)N;CC(CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N","InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1","","2010-04-26","2024-09-27","N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine",""],["M9L","(2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid","C9 H10 N2 O4","NC(=O)N[CH](C(O)=O)c1ccc(O)cc1;c1cc(ccc1C(C(=O)O)NC(=O)N)O","InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)/t7-/m1/s1","","2022-12-23","2023-12-15","(2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid","2023-12-20"],["40D","3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine","C17 H17 Br F3 N O","CNCCC(Oc1ccc(cc1Br)C(F)(F)F)c2ccccc2;CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F","InChI=1S/C17H17BrF3NO/c1-22-10-9-15(12-5-3-2-4-6-12)23-16-8-7-13(11-14(16)18)17(19,20)21/h2-8,11,15,22H,9-10H2,1H3","","2014-12-22","2015-03-13","3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine","2015-03-18"],["M9M","4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one","C23 H31 N3 O3","O=C1N(c2ccc(cc2OC1)CCCCC3CCN(C)CC3)Cc4noc(c4)C;CN1CCC(CCCCc2ccc3N(Cc4cc(C)on4)C(=O)COc3c2)CC1;Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C","InChI=1S/C23H31N3O3/c1-17-13-20(24-29-17)15-26-21-8-7-19(14-22(21)28-16-23(26)27)6-4-3-5-18-9-11-25(2)12-10-18/h7-8,13-14,18H,3-6,9-12,15-16H2,1-2H3","","2015-01-29","2015-10-02","4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one","2015-10-07"],["M9N","2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid","C9 H11 Cl N2 O2 S2","Cc1sc2NCN[CH](SCC(O)=O)c2c1Cl;Cc1c(c2c(s1)NCNC2SCC(=O)O)Cl","InChI=1S/C9H11ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h8,11-12H,2-3H2,1H3,(H,13,14)/t8-/m0/s1","","2019-10-09","2019-12-27","2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid","2020-01-01"],["40E","oxo(propan-2-ylamino)acetic acid","C5 H9 N O3","O=C(NC(C)C)C(=O)O;CC(C)NC(=O)C(O)=O;CC(C)NC(=O)C(=O)O","InChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9)","","2014-12-22","2015-04-17","oxo(propan-2-ylamino)acetic acid","2015-04-22"],["40F","(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid","C8 H11 N O4","O=C(O)C1C2CCC(C(=O)O)(N)C12;N[C]1(CC[CH]2[CH]([CH]12)C(O)=O)C(O)=O;C1CC(C2C1C2C(=O)O)(C(=O)O)N","InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1","","2014-12-25","2015-01-30","(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid","2015-02-04"],["M9P","amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium","C7 H16 F3 N4 O","FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])[CH](O)C(F)(F)F;C(CC(C(C(F)(F)F)O)N)CNC(=[NH2+])N","InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1","","2013-09-18","2024-09-27","amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium","2014-07-08"],["40G","N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine","C12 H17 N7 O4","O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C;C[CH](N)CN(CC(O)=O)C(=O)Cn1cnc2C(=O)NC(=Nc12)N;CC(CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N","InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1","","2010-04-26","2024-09-27","N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine",""],["M9Q","ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate","C32 H46 O5","CCOC(=O)C=CC1(CC1)[CH](O)C=C[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CCOC(=O)C=CC1(CC1)C(C=CC(C)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C)O","InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14-,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1","","2019-10-09","2020-08-21","ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate","2020-08-26"],["40H","(1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid","C10 H13 N O4","O=C(O)C2C3C1(CC1)CC(N)(C(=O)O)C23;N[C]1(CC2(CC2)[CH]3[CH]([CH]13)C(O)=O)C(O)=O;C1CC12CC(C3C2C3C(=O)O)(C(=O)O)N","InChI=1S/C10H13NO4/c11-10(8(14)15)3-9(1-2-9)5-4(6(5)10)7(12)13/h4-6H,1-3,11H2,(H,12,13)(H,14,15)/t4-,5-,6+,10-/m0/s1","","2014-12-26","2015-01-30","(1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid","2015-02-04"],["M9R","3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid","C25 H21 F4 N3 O3","OC(=O)c1ccc(N2CCN(CC2)c3cccc(c3)C(F)(F)F)c(NC(=O)c4ccc(F)cc4)c1;c1cc(cc(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)F)C(=O)O)C(F)(F)F","InChI=1S/C25H21F4N3O3/c26-19-7-4-16(5-8-19)23(33)30-21-14-17(24(34)35)6-9-22(21)32-12-10-31(11-13-32)20-3-1-2-18(15-20)25(27,28)29/h1-9,14-15H,10-13H2,(H,30,33)(H,34,35)","","2022-12-23","2023-12-15","3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid","2023-12-20"],["40I","N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide","C24 H36 N4 O6","CC(C)C[CH](NC(=O)[CH](NC(=O)c1occc1)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)c2ccco2","InChI=1S/C24H36N4O6/c1-14(2)11-18(22(31)26-17(13-29)12-16-7-5-9-25-21(16)30)27-24(33)20(15(3)4)28-23(32)19-8-6-10-34-19/h6,8,10,13-18,20H,5,7,9,11-12H2,1-4H3,(H,25,30)(H,26,31)(H,27,33)(H,28,32)/t16-,17-,18-,20-/m0/s1","","2022-02-01","2024-09-27","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide","2022-12-28"],["M9S","5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole","C26 H34 N4 S","N1(CCCC1)C2(CCCCC2)c6sc(c3cc5c(cc3)n(CC4CCCN4)cc5)nc6;C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(C[CH]6CCCN6)ccc5c4;c1cc2c(ccn2CC3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6","InChI=1S/C26H34N4S/c1-2-11-26(12-3-1,30-14-4-5-15-30)24-18-28-25(31-24)21-8-9-23-20(17-21)10-16-29(23)19-22-7-6-13-27-22/h8-10,16-18,22,27H,1-7,11-15,19H2/t22-/m0/s1","","2019-03-28","2019-07-26","5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole","2019-07-31"],["40J","1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside","C12 H19 Cl3 O8","ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO;OC[CH]1O[CH](O[C]2(CCl)O[CH](CCl)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1Cl;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O","InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1","sucralose","2015-01-02","2020-07-17","1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside","2015-12-23"],["M9T","2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one","C20 H25 N5 O3","COc1ccc(Nc2ncc3N(C)C(=O)N([CH]4CC[CH](O)CC4)c3n2)c(C)c1;Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC","InChI=1S/C20H25N5O3/c1-12-10-15(28-3)8-9-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-4-6-14(26)7-5-13/h8-11,13-14,26H,4-7H2,1-3H3,(H,21,22,23)/t13-,14-","","2019-10-09","2019-12-27","2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one","2020-01-01"],["M9U","(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C15 H15 Cl N4 O2","Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1;Clc1ccc2OCC[CH](C(=O)Nc3nncn3C4CC4)c2c1;c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4","InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m0/s1","","2023-08-15","2023-11-03","(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["40K","[(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid","C16 H11 Cl N4 O2 S2","Clc4ccc(C1=Nn2c(nnc2SC1CC(=O)O)c3sccc3)cc4;OC(=O)C[CH]1Sc2nnc(n2N=C1c3ccc(Cl)cc3)c4sccc4;c1cc(sc1)c2nnc3n2N=C(C(S3)CC(=O)O)c4ccc(cc4)Cl","InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/t12-/m0/s1","","2015-01-05","2015-08-07","[(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid","2015-08-12"],["40L","5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one","C22 H18 F N7 O","Fc1cccc2N=C(N(C(=O)c12)c3ccccc3)C(Nc5ncnc4ncnc45)CC;CC[CH](Nc1ncnc2nc[nH]c12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5;CCC(C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4","InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1","","2015-01-05","2015-01-30","5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one","2015-02-04"],["M9W","Enmetazobactam derived trans-enamine adduct","C11 H17 N4 O6 S","C[n+]1ccn(C[C](C)([CH](NC=CC(O)=O)C(O)=O)[S](O)=O)n1;CC(Cn1cc[n+](n1)C)(C(C(=O)O)NC=CC(=O)O)S(=O)O","InChI=1S/C11H16N4O6S/c1-11(22(20)21,7-15-6-5-14(2)13-15)9(10(18)19)12-4-3-8(16)17/h3-6,9,12H,7H2,1-2H3,(H2-,16,17,18,19,20,21)/p+1/b4-3+/t9-,11-/m0/s1","(2S,3S)-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-butanoic acid","2019-10-10","2024-09-27","(2~{S},3~{S})-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]-3-sulfino-butanoic acid","2020-11-18"],["40M","N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide","C26 H24 Cl2 N4 O3","O=C(Nc1c(c(ccc1)C)Nc3ncc2cc(ccc2n3)c4c(c(cc(c4Cl)OC)OC)Cl)CC;CCC(=O)Nc1cccc(C)c1Nc2ncc3cc(ccc3n2)c4c(Cl)c(OC)cc(OC)c4Cl;CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C","InChI=1S/C26H24Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h6-13H,5H2,1-4H3,(H,30,33)(H,29,31,32)","BLU9931 bound form","2015-01-05","2024-09-27","N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide","2015-04-01"],["M9X","tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C27 H39 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NC4CC4)O","InChI=1S/C27H39N5O7/c1-27(2,3)39-26(38)31-18-5-4-12-32(25(18)37)20(13-15-6-7-15)23(35)30-19(14-16-10-11-28-22(16)34)21(33)24(36)29-17-8-9-17/h4-5,12,15-17,19-21,33H,6-11,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t16-,19-,20-,21+/m0/s1","tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate; MG-97 inhibitor (covalently bound to protein)","2022-07-27","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2023-08-16"],["40N","6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one","C16 H10 F N O3","Fc4ccccc4C=3Nc2cc1OCOc1cc2C(=O)C=3;Fc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2;c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F","InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)","","2015-01-05","2015-07-02","6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one","2015-07-07"],["M9Y","3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine","C33 H42 F3 N5 S","FC(F)(F)CNCC#Cc1c(sc(n1)c3cc2ccn(c2cc3)CCC4CCNCC4)C5(CCCCC5)N6CCCC6;FC(F)(F)CNCC#Cc1nc(sc1C2(CCCCC2)N3CCCC3)c4ccc5n(CCC6CCNCC6)ccc5c4;c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F","InChI=1S/C33H42F3N5S/c34-33(35,36)24-38-16-6-7-28-30(32(14-2-1-3-15-32)41-19-4-5-20-41)42-31(39-28)27-8-9-29-26(23-27)13-22-40(29)21-12-25-10-17-37-18-11-25/h8-9,13,22-23,25,37-38H,1-5,10-12,14-21,24H2","","2019-03-28","2019-07-26","3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine","2019-07-31"],["M9Z","~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide","C24 H28 N8 O4 S","CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4;CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4","InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34)","","2019-10-10","2020-08-14","~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide","2020-08-19"],["40O","(1R,2R)-cyclohexane-1,2-diol","C6 H12 O2","OC1CCCCC1O;O[CH]1CCCC[CH]1O;C1CCC(C(C1)O)O","InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1","","2015-01-06","2024-09-27","(1R,2R)-cyclohexane-1,2-diol","2015-07-15"],["MA","METHYL L-ALANINATE","C4 H9 N O2","O=C(OC)C(N)C;COC(=O)[CH](C)N;CC(C(=O)OC)N","InChI=1S/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3/t3-/m0/s1","","2008-07-10","2024-09-27","methyl L-alaninate",""],["40P","Pinnatoxin A","C41 H61 N O9","O=C(O)C8=CC3C1(C(=NCC(C)C(C)C1)CCC/C(=C)CC7OC6(OC2(OC(CCC2)CC45OC3C(O4)C(O)C(C)C5)CC6)C(O)(CC7)C)CC8;C[CH]1CN=C2CCCC(=C)C[CH]3CC[C](C)(O)[C]4(CC[C]5(CCC[CH](C[C]67C[CH](C)[CH](O)[CH](O6)[CH](O7)[CH]8C=C(CC[C]28C[CH]1C)C(O)=O)O5)O4)O3;CC1CC23CCC(=CC2C4C5C(C(CC(O4)(O5)CC6CCCC7(O6)CCC8(O7)C(CCC(O8)CC(=C)CCCC3=NCC1C)(C)O)C)O)C(=O)O","InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35+,37+,38+,39+,40+,41+/m0/s1","","2015-01-06","2015-05-29","(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]hentetraconta-20,29-diene-29-carboxylic acid (non-preferred name)","2015-06-03"],["MA0","(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM","C13 H16 N O","Oc1ccc2c(c1)C([N+](=CC=C)C)CC2;C[N+](=CC=C)[CH]1CCc2ccc(O)cc12;C[N+](=CC=C)C1CCc2c1cc(cc2)O","InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,8-9,13H,1,5,7H2,2H3/p+1/b14-8+/t13-/m1/s1","","2005-11-07","2012-01-05","(1R)-6-hydroxy-N-methyl-N-[(1E)-prop-2-en-1-ylidene]-2,3-dihydro-1H-inden-1-aminium",""],["40Q","4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid","C14 H16 N6 O3","O=C(O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3;NC1=NC2=C(N[CH](CNc3ccc(cc3)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N","InChI=1S/C14H16N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,9,16,18H,5-6H2,(H,22,23)(H4,15,17,19,20,21)/t9-/m0/s1","","2015-01-06","2015-01-09","4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid","2015-01-14"],["40R","1-butyl-1H-1,2,4-triazole","C6 H11 N3","n1cn(nc1)CCCC;CCCCn1cncn1;CCCCn1cncn1","InChI=1S/C6H11N3/c1-2-3-4-9-6-7-5-8-9/h5-6H,2-4H2,1H3","","2015-01-07","2015-01-16","1-butyl-1H-1,2,4-triazole","2015-01-21"],["MA1","1,4-dithio-alpha-D-glucopyranose","C6 H12 O4 S2","OC1C(S)C(OC(S)C1O)CO;OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)S)O)O)S)O","InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6-/m1/s1","1,4-dithio-alpha-D-glucose; 1,4-dithio-D-glucose; 1,4-dithio-glucose","1999-07-08","2020-07-17","1,4-dithio-alpha-D-glucopyranose",""],["40S","3-methylpentane-1,5-diol","C6 H14 O2","OCCC(C)CCO;CC(CCO)CCO;CC(CCO)CCO","InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3","","2015-01-08","2015-10-02","3-methylpentane-1,5-diol","2015-10-07"],["MA2","4-S-methyl-4-thio-alpha-D-glucopyranose","C7 H14 O5 S","OC1C(SC)C(OC(O)C1O)CO;CS[CH]1[CH](CO)O[CH](O)[CH](O)[CH]1O;CSC1C(OC(C(C1O)O)O)CO","InChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1","4-S-methyl-4-thio-alpha-D-glucose; 4-S-methyl-4-thio-D-glucose; 4-S-methyl-4-thio-glucose","1999-07-08","2020-07-17","4-S-methyl-4-thio-alpha-D-glucopyranose",""],["40T","N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","C12 H18 N4 O5","O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C;C[CH](N)CN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(=O)N(CC(C)N)CC(=O)O","InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1","","2010-04-26","2024-09-27","N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine",""],["MA3","methyl 4-thio-alpha-D-glucopyranoside","C7 H14 O5 S","OC1C(O)C(S)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](S)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)S)O)O","InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1","O1-METHYL-4-DEOXY-4-THIO-ALPHA-D-GLUCOSE; methyl 4-thio-alpha-D-glucoside; methyl 4-thio-D-glucoside; methyl\n4-thio-glucoside","1999-07-08","2020-07-17","methyl 4-thio-alpha-D-glucopyranoside",""],["40U","N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide","C23 H33 Cl N2 O3","O=C(N2CCC(O)(c1ccc(Cl)cc1)C(C)(C2)C)C(NC(=O)CC3CC3)C(C)C;CC(C)[CH](NC(=O)CC1CC1)C(=O)N2CC[C](O)(c3ccc(Cl)cc3)C(C)(C)C2;CC(C)C(C(=O)N1CCC(C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3","InChI=1S/C23H33ClN2O3/c1-15(2)20(25-19(27)13-16-5-6-16)21(28)26-12-11-23(29,22(3,4)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,5-6,11-14H2,1-4H3,(H,25,27)/t20-,23+/m1/s1","","2015-01-07","2015-01-23","N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide","2015-01-28"],["MA4","CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE","C24 H44 O11","O(CCCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1","","1999-07-08","2011-06-04","6-cyclohexylhexyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["40V","N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide","C28 H32 N4 O5","[O-][N+](=O)c1cc(c(O)c2ncccc12)C(=O)N(CCOC)CC5CCCN(C4Cc3ccccc3C4)C5;COCCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+]([O-])=O;COCCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-]","InChI=1S/C28H32N4O5/c1-37-13-12-31(28(34)24-16-25(32(35)36)23-9-4-10-29-26(23)27(24)33)18-19-6-5-11-30(17-19)22-14-20-7-2-3-8-21(20)15-22/h2-4,7-10,16,19,22,33H,5-6,11-15,17-18H2,1H3/t19-/m1/s1","","2015-01-08","2015-07-02","N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide","2015-07-07"],["MA5","2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY\nRAN-3,4,5-TRIOL","C20 H36 O11","O(CCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1","CYCLOHEXYLETHYL-BETA-D-MALTOSIDE","2005-10-19","2020-06-17","2-cyclohexylethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["40W","4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide","C18 H20 N2 O2","O=C(N)c1ccc(cc1)n3c2c(C(=O)CC(C2)(C)C)c(c3)C;Cc1cn(c2CC(C)(C)CC(=O)c12)c3ccc(cc3)C(N)=O;Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N","InChI=1S/C18H20N2O2/c1-11-10-20(13-6-4-12(5-7-13)17(19)22)14-8-18(2,3)9-15(21)16(11)14/h4-7,10H,8-9H2,1-3H3,(H2,19,22)","","2015-01-08","2015-02-27","4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide","2015-03-04"],["MA6","6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE","C12 H18 N5 O7 P","CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O;CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1","","1999-07-08","2024-03-27","N,N-dimethyladenosine 5'-(dihydrogen phosphate)",""],["40X","(6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide","C23 H27 Cl N2 O3","O=C(N)c3cc4OC(Cc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3Cl)CCC;CCC[CH]1Cc2n(c3CC(C)(C)CC(=O)c3c2C)c4cc(Cl)c(cc4O1)C(N)=O;CCCC1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C","InChI=1S/C23H27ClN2O3/c1-5-6-13-7-16-12(2)21-18(10-23(3,4)11-19(21)27)26(16)17-9-15(24)14(22(25)28)8-20(17)29-13/h8-9,13H,5-7,10-11H2,1-4H3,(H2,25,28)/t13-/m0/s1","","2015-01-08","2015-02-27","(6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide","2015-03-04"],["MA7","1N-METHYLADENOSINE-5'-MONOPHOSPHATE","C11 H17 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(N)[n+](cnc12)C)CC3O;C[n+]1cnc2n(cnc2c1N)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;C[n+]1cnc2c(c1N)ncn2C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H16N5O6P/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,12,17H,2-3H2,1H3,(H2,18,19,20)/p+1/t6-,7+,8+/m0/s1","","2006-01-30","2011-06-04","2'-deoxy-1-methyladenosine 5'-(dihydrogen phosphate)",""],["MA8","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside","C15 H28 N2 O11 S","O=C(NC2C(O)C(O)C(OC2OC1C(O)C(O)C(O)C(O)C1O)CO)C(N)CS;N[CH](CS)C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O;C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)NC(=O)C(CS)N)O)O)O","InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1","(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-(L-CYSTEINYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSIDE;\n(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucoside;\n(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-D-glucoside;\n(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-glucoside","2005-09-26","2020-07-17","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside",""],["40Y","8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide","C20 H22 N2 O3","O=C(N)c3cc4OCCc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3;Cc1c2CCOc3cc(ccc3n2c4CC(C)(C)CC(=O)c14)C(N)=O;Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N","InChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24)","","2015-01-08","2015-02-27","8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide","2015-03-04"],["40Z","2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide","C25 H26 Cl N3 O3","O=C(N)c2cc3N(CCc4c(c1C(=O)CC(C)(C)Cc1n4c3cc2Cl)C)Cc5occc5;Cc1c2CCN(Cc3occc3)c4cc(C(N)=O)c(Cl)cc4n2c5CC(C)(C)CC(=O)c15;Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl","InChI=1S/C25H26ClN3O3/c1-14-18-6-7-28(13-15-5-4-8-32-15)19-9-16(24(27)31)17(26)10-20(19)29(18)21-11-25(2,3)12-22(30)23(14)21/h4-5,8-10H,6-7,11-13H2,1-3H3,(H2,27,31)","","2015-01-08","2015-02-27","2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide","2015-03-04"],["MA9","(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE","C22 H21 F3 N4 O2 S","O=S(=O)(c1cccc(c1)c2ncnc(c2)N4CCC(c3cc(F)c(F)cc3F)C(N)C4)C;C[S](=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[CH]([CH](N)C3)c4cc(F)c(F)cc4F;CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CCC(C(C3)N)c4cc(c(cc4F)F)F","InChI=1S/C22H21F3N4O2S/c1-32(30,31)14-4-2-3-13(7-14)21-10-22(28-12-27-21)29-6-5-15(20(26)11-29)16-8-18(24)19(25)9-17(16)23/h2-4,7-10,12,15,20H,5-6,11,26H2,1H3/t15-,20+/m1/s1","","2007-02-06","2011-06-04","(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine",""],["410","4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid","C26 H24 Br N O6 S","O=C(c1ccccc1)N(c2cccc(c2)c3sc(c(OCC(=O)O)c3Br)C(=O)O)C4CCCCC4;OC(=O)COc1c(Br)c(sc1C(O)=O)c2cccc(c2)N(C3CCCCC3)C(=O)c4ccccc4;c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4","InChI=1S/C26H24BrNO6S/c27-21-22(34-15-20(29)30)24(26(32)33)35-23(21)17-10-7-13-19(14-17)28(18-11-5-2-6-12-18)25(31)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,29,30)(H,32,33)","","2008-04-22","2011-06-04","4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid",""],["MAA","N-methyl-L-alanine","C4 H9 N O2","O=C(O)C(NC)C;CN[CH](C)C(O)=O;CC(C(=O)O)NC","InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2024-09-27","N-methyl-L-alanine",""],["MAB","MANNOBIOSE","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1","","1999-10-27","2020-07-17","4-O-beta-D-mannopyranosyl-beta-D-mannopyranose",""],["411","3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide","C26 H22 Br N5 O2","O=C(NC(=[N@H])N)Cn3c(ccc3c2ccc(NC(=O)c1cccc(Br)c1)cc2)c4ccccc4;NC(=N)NC(=O)Cn1c(ccc1c2ccc(NC(=O)c3cccc(Br)c3)cc2)c4ccccc4;[H]N=C(N)NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4","InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33)","","2008-01-24","2011-06-04","3-bromo-N-{4-[1-(2-carbamimidamido-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl]phenyl}benzamide",""],["MAC","MERCURY ACETATE ION","C2 H3 Hg O2","[Hg+]OC(=O)C;CC(=O)O[Hg+];CC(=O)O[Hg+]","InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1","","1999-07-08","2011-06-04","(acetato-kappaO)mercury(1+)",""],["412","(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE","C12 H18 B N3 O3","OCC1OB(OC1)c2ccc(cc2)CCNC(=[N@H])N;NC(=N)NCCc1ccc(cc1)B2OC[CH](CO)O2;[H]N=C(N)NCCc1ccc(cc1)B2OCC(O2)CO","InChI=1S/C12H18BN3O3/c14-12(15)16-6-5-9-1-3-10(4-2-9)13-18-8-11(7-17)19-13/h1-4,11,17H,5-8H2,(H4,14,15,16)/t11-/m1/s1","","2005-06-02","2024-09-27","1-(2-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl)guanidine",""],["413","(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID","C31 H30 N4 O5","O=C(O)C(c1ccccc1)NC(=O)C(c3cc(OC)c(OCc2ccccc2)cc3)Nc4ccc(C(=[N@H])N)cc4;COc1cc(ccc1OCc2ccccc2)[CH](Nc3ccc(cc3)C(N)=N)C(=O)N[CH](C(O)=O)c4ccccc4;COc1cc(ccc1OCc2ccccc2)C(C(=O)NC(c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N","InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1","","2004-09-14","2011-06-04","(2S)-({(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimidoylphenyl)amino]acetyl}amino)(phenyl)ethanoic acid",""],["MAD","6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","P(O)(=O)(OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23)O;CN1C=Nc2n(cnc2C1=N)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CN1C=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C1=N","InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1","","2002-08-28","2015-08-19","1-methyladenosine 5'-(dihydrogen phosphate)",""],["414","(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE","C24 H31 N4 O7 P","O=P(OC(c1cccc(NC(=[N@H])N)c1)C(=O)O)(O)C(NC(=O)OCc2ccccc2)C3CCCCC3;NC(=N)Nc1cccc(c1)[CH](O[P](O)(=O)[CH](NC(=O)OCc2ccccc2)C3CCCCC3)C(O)=O;[H]N=C(N)Nc1cccc(c1)C(C(=O)O)OP(=O)(C(C2CCCCC2)NC(=O)OCc3ccccc3)O","InChI=1S/C24H31N4O7P/c25-23(26)27-19-13-7-12-18(14-19)20(22(29)30)35-36(32,33)21(17-10-5-2-6-11-17)28-24(31)34-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-14,17,20-21H,2,5-6,10-11,15H2,(H,28,31)(H,29,30)(H,32,33)(H4,25,26,27)/t20-,21+/m0/s1","","2007-04-20","2011-06-04","(5R,6R,8S)-8-(3-carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide",""],["MAE","MALEIC ACID","C4 H4 O4","O=C(O)C=C/C(=O)O;OC(=O)C=CC(O)=O;C(=CC(=O)O)C(=O)O","InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-","","1999-07-08","2011-06-04","(2Z)-but-2-enedioic acid",""],["415","1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea","C18 H22 Cl N3 O2","Clc1cc(cc(OC)c1)CNCCCNC(=O)Nc2ccccc2;COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1;COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2","InChI=1S/C18H22ClN3O2/c1-24-17-11-14(10-15(19)12-17)13-20-8-5-9-21-18(23)22-16-6-3-2-4-7-16/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H2,21,22,23)","","2011-10-10","2012-09-28","1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea","2012-09-28"],["MAF","2-deoxy-2-fluoro-alpha-D-mannopyranose","C6 H11 F O5","FC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)F)O)O)O","InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1","2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE; 2-deoxy-2-fluoro-D-mannose; 2-deoxy-2-fluoro-mannose","2002-02-28","2024-09-27","2-deoxy-2-fluoro-alpha-D-mannopyranose",""],["416","(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid","C15 H14 Cl F3 O3","O=C(O)C1=Cc2c(OC1C(F)(F)F)cc(c(Cl)c2)C(C)(C)C;CC(C)(C)c1cc2O[CH](C(=Cc2cc1Cl)C(O)=O)C(F)(F)F;CC(C)(C)c1cc2c(cc1Cl)C=C(C(O2)C(F)(F)F)C(=O)O","InChI=1S/C15H14ClF3O3/c1-14(2,3)9-6-11-7(5-10(9)16)4-8(13(20)21)12(22-11)15(17,18)19/h4-6,12H,1-3H3,(H,20,21)/t12-/m0/s1","","2010-09-13","2011-06-04","(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid",""],["MAG","methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C9 H17 N O6","O=C(NC1C(O)C(O)C(OC1OC)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1OC)CO)O)O","InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1","BETA-METHYL-N-ACETYL-D-GLUCOSAMINE; methyl 2-acetamido-2-deoxy-beta-D-glucoside; methyl\n2-acetamido-2-deoxy-D-glucoside; methyl 2-acetamido-2-deoxy-glucoside","1999-07-08","2020-07-17","methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside",""],["MAH","3-HYDROXY-3-METHYL-GLUTARIC ACID","C6 H10 O5","O=C(O)CC(O)(C)CC(=O)O;CC(O)(CC(O)=O)CC(O)=O;CC(CC(=O)O)(CC(=O)O)O","InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)","","2000-01-12","2024-09-27","3-hydroxy-3-methylpentanedioic acid",""],["417","(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE","C18 H19 F6 N5","Fc1cc(c(F)cc1F)C4CCC(N3Cc2nnc(n2CC3)C(F)(F)F)CC4N;N[CH]1C[CH](CC[CH]1c2cc(F)c(F)cc2F)N3CCn4c(C3)nnc4C(F)(F)F;c1c(c(cc(c1F)F)F)C2CCC(CC2N)N3CCn4c(nnc4C(F)(F)F)C3","InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1","","2007-04-13","2011-06-04","(1S,2R,5S)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine",""],["MAI","DEOXO-METHYLARGININE","C7 H18 N4 O","[N@H]=C(NCCCC(N)C(O)C)N;C[CH](O)[CH](N)CCCNC(N)=N;CC(C(CCCNC(=N)N)N)O","InChI=1S/C7H18N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h5-6,12H,2-4,8H2,1H3,(H4,9,10,11)/t5-,6+/m1/s1","","1999-07-08","2020-05-27","1-[(4S,5R)-4-amino-5-hydroxyhexyl]guanidine",""],["418","2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ\nOIC ACID METHYL ESTER","C34 H35 N3 O12","O=C(O)c1ccccc1N(C(=O)C(=O)O)c2ccc(cc2)CC(NC(=O)OC/C=C)C(=O)NCCCCOc3cccc(O)c3C(=O)OC;COC(=O)c1c(O)cccc1OCCCCNC(=O)[CH](Cc2ccc(cc2)N(C(=O)C(O)=O)c3ccccc3C(O)=O)NC(=O)OCC=C;COC(=O)c1c(cccc1OCCCCNC(=O)C(Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O","InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1","COMPOUND 6; N-(ALLYLOXYCARBONYL)-4-[N-(CARBOXY-FORMYL)-2-(BENZOIC\nACID)-AMINO]-L-PHENYLALANINYL-AMINO-BUTYLOXY-(6-HYDROXY-BENZOIC ACID METHYL ESTER)","2003-06-05","2020-06-17","2-[(carboxycarbonyl){4-[(2S)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxo-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propyl]phenyl}amino]benzoic acid",""],["419","N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide","C31 H42 N4 O3","O=C(NC(C(=O)N4C3C(NC(=O)C(c1ccccc1)c2ccccc2)CCC3CC4)C(C)(C)C)C(NC)C;CN[CH](C)C(=O)N[CH](C(=O)N1CC[CH]2CC[CH](NC(=O)C(c3ccccc3)c4ccccc4)[CH]12)C(C)(C)C;CC(C(=O)NC(C(=O)N1CCC2C1C(CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC","InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1","","2008-11-12","2011-06-04","N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide",""],["MAJ","indane-5-sulfonamide","C9 H11 N O2 S","O=S(=O)(c1ccc2c(c1)CCC2)N;N[S](=O)(=O)c1ccc2CCCc2c1;c1cc2c(cc1S(=O)(=O)N)CCC2","InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)","","2007-09-04","2011-06-04","2,3-dihydro-1H-indene-5-sulfonamide",""],["41A","5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one","C13 H18 N2 O2 S","O=C2c1sc(nc1CC(C2)(C)C)N3CCOCC3;CC1(C)CC(=O)c2sc(nc2C1)N3CCOCC3;CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C","InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3","","2008-07-09","2011-06-04","5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one",""],["MAK","ALPHA-KETOMALONIC ACID","C3 H2 O5","O=C(O)C(=O)C(=O)O;OC(=O)C(=O)C(O)=O;C(=O)(C(=O)O)C(=O)O","InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)","","1999-07-08","2011-06-04","oxopropanedioic acid",""],["41B","1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one","C22 H22 Cl F N4 O3","Clc1ccc(cc1F)C(N2C(=O)C=C(C=C2)c3nc(ncc3)NC4CCOCC4)CO;OC[CH](N1C=CC(=CC1=O)c2ccnc(NC3CCOCC3)n2)c4ccc(Cl)c(F)c4;c1cc(c(cc1C(CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl","InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1","","2015-01-08","2015-09-11","1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one","2015-09-16"],["MAL","MALTOSE","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1","","1999-07-08","2020-07-17","4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose",""],["41D","3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate","C10 H15 N O4 S","[O-]S(=O)(=O)CCC[n+]1ccccc1CCO;OCCc1cccc[n+]1CCC[S]([O-])(=O)=O;c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-]","InChI=1S/C10H15NO4S/c12-8-5-10-4-1-2-6-11(10)7-3-9-16(13,14)15/h1-2,4,6,12H,3,5,7-9H2","","2015-01-09","2015-06-19","3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate","2015-06-24"],["MAM","1-O-METHYL-ALPHA-D-MANNOSE","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1","","2002-01-30","2008-10-14","methyl alpha-D-mannopyranoside",""],["41E","3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide","C22 H26 N2 O4 S","O=C(c3sc(C(=O)N2CCC(CCC(=O)Nc1cccc(OC)c1)CC2)cc3)C;COc1cccc(NC(=O)CCC2CCN(CC2)C(=O)c3sc(cc3)C(C)=O)c1;CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC","InChI=1S/C22H26N2O4S/c1-15(25)19-7-8-20(29-19)22(27)24-12-10-16(11-13-24)6-9-21(26)23-17-4-3-5-18(14-17)28-2/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,23,26)","","2015-01-09","2016-01-15","3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide","2016-01-20"],["MAN","alpha-D-mannopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1","alpha-D-mannose; D-mannose; mannose","1999-07-08","2024-09-27","alpha-D-mannopyranose",""],["41F","N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide","C17 H17 N5 O S","O=C(N2CCN(c1ccccc1)CC2)Nc3cc4nnsc4cc3;O=C(Nc1ccc2snnc2c1)N3CCN(CC3)c4ccccc4;c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4","InChI=1S/C17H17N5OS/c23-17(18-13-6-7-16-15(12-13)19-20-24-16)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,18,23)","","2015-01-09","2016-01-15","N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide","2016-01-20"],["MAO","5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE","C13 H21 N7 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N;CN(CCON)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CN(CCON)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1","","2001-03-12","2024-09-27","5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxyadenosine",""],["MAP","MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE","C10 H16 Mg N6 O12 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O[Mg])OP(=O)(NP(=O)(O)O)O)O)O)N","InChI=1S/C10H17N6O12P3.Mg.H/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;/q;+1;/p-1/t4-,6-,7-,10-;;/m1../s1","","1999-07-08","2023-09-23","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[oxidanyl-(phosphonoamino)phosphoryl]oxy-phosphoryl]oxymagnesium",""],["41G","5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1H-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid","C15 H14 N5 O5","O=C(O)c1c(O)ccc(c1)C(=O)C[n+]3c2N=C(NC(=O)c2n(c3)C)N;Cn1c[n+](CC(=O)c2ccc(O)c(c2)C(O)=O)c3N=C(N)NC(=O)c13;Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O","InChI=1S/C15H13N5O5/c1-19-6-20(12-11(19)13(23)18-15(16)17-12)5-10(22)7-2-3-9(21)8(4-7)14(24)25/h2-4,6H,5H2,1H3,(H4-,16,17,18,21,22,23,24,25)/p+1","","2013-10-10","2014-09-05","2-amino-9-[2-(3-carboxy-4-hydroxyphenyl)-2-oxoethyl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium","2013-10-30"],["MAQ","2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE","C9 H9 N3 O","O=C2N=C(Nc1c2cccc1C)N;Cc1cccc2C(=O)N=C(N)Nc12;Cc1cccc2c1NC(=NC2=O)N","InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)","","2004-01-15","2011-06-04","2-amino-8-methylquinazolin-4(1H)-one",""],["41H","(betaS)-beta-methyl-L-phenylalanine","C10 H13 N O2","O=C(O)C(N)C(c1ccccc1)C;C[CH]([CH](N)C(O)=O)c1ccccc1;CC(c1ccccc1)C(C(=O)O)N","InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1","","2015-01-09","2024-09-27","(betaS)-beta-methyl-L-phenylalanine","2016-02-03"],["MAR","4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN","C33 H39 N O13","O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC6OC5OC(C(OC4OC(C(O)C(O)C4)C)C(N)C5)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O[CH]6C[CH](O)[CH](O)[CH](C)O6)[CH](C)O5)c4c(O)c3C(=O)c12)C(C)=O;CC1C(C(CC(O1)OC2C(OC(CC2N)OC3CC(Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O","InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27-,32+,33-/m0/s1","MAR70; DAUNOMYCIN DERIVATIVE","1999-07-08","2020-06-17","(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)-alpha-L-lyxo-hexopyranoside",""],["41I","4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide","C17 H12 Cl N3 O3","Clc3ccc(OC1=CC(=O)N(N=C1C(=O)N)c2ccccc2)cc3;NC(=O)C1=NN(C(=O)C=C1Oc2ccc(Cl)cc2)c3ccccc3;c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl","InChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23)","","2014-04-29","2015-05-15","4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide","2015-05-20"],["41J","Pinnatoxin G","C42 H63 N O7","O6C78OC1(OC(CCC1(O)C)CC(=CCCC2=NCC(C)C(C)CC23CCC(C=C)=CC3C5OC4(OC5C(O)C(C)C4)CC6CCC7)C)CC8;C[CH]1CN=C2CCC=C(C)C[CH]3CC[C](C)(O)[C]4(CC[C]5(CCC[CH](C[C]67C[CH](C)[CH](O)[CH](O6)[CH](O7)[CH]8C=C(CC[C]28C[CH]1C)C=C)O5)O4)O3;CC1CC23CCC(=CC2C4C5C(C(CC(O4)(O5)CC6CCCC7(O6)CCC8(O7)C(CCC(O8)CC(=CCCC3=NCC1C)C)(C)O)C)O)C=C","InChI=1S/C42H63NO7/c1-7-30-13-17-39-22-27(3)29(5)25-43-34(39)12-8-10-26(2)20-31-14-16-38(6,45)42(47-31)19-18-40(50-42)15-9-11-32(46-40)24-41-23-28(4)35(44)37(49-41)36(48-41)33(39)21-30/h7,10,21,27-29,31-33,35-37,44-45H,1,8-9,11-20,22-25H2,2-6H3/b26-10+/t27-,28+,29-,31-,32+,33+,35+,36-,37+,38+,39+,40+,41+,42+/m0/s1","","2015-01-12","2015-05-29","(1R,3R,7R,10R,11R,14S,16E,23R,24S,26R,31S,32S,33R,34R,35R)-29-ethenyl-11,16,23,24,35-pentamethyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]hentetraconta-16,20,29-triene-11,34-diol (non-preferred name)","2015-06-03"],["MAS","dimethylsulfamic acid","C2 H7 N O3 S","O=S(=O)(O)N(C)C;CN(C)[S](O)(=O)=O;CN(C)S(=O)(=O)O","InChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)","","1999-07-08","2011-06-04","dimethylsulfamic acid",""],["41K","(2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid","C6 H9 N O4 S","O=C(O)C1(SCC(C(=O)O)N1)C;C[C]1(N[CH](CS1)C(O)=O)C(O)=O;CC1(NC(CS1)C(=O)O)C(=O)O","InChI=1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1","","2015-01-13","2015-02-06","(2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid","2015-02-11"],["MAT","2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose","C9 H19 N O3","O(C)C1C(NC(C)C)COC(O)C1;CO[CH]1C[CH](O)OC[CH]1NC(C)C;CC(C)NC1COC(CC1OC)O","InChI=1S/C9H19NO3/c1-6(2)10-7-5-13-9(11)4-8(7)12-3/h6-11H,4-5H2,1-3H3/t7-,8-,9+/m0/s1","2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE;\n2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentose;\n2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-L-threo-pentose; 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-threo-pentose","1999-07-08","2020-07-17","2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose",""],["MAU","N-METHYL KIRROMYCIN","C44 H62 N2 O12","O=C1N(C=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C)C;CC[CH](C(=O)NCC=CC=C(C)[CH](OC)[CH](C)[CH]1O[CH](C=CC=CC=C(C)C(=O)C2=C(O)C=CN(C)C2=O)[CH](O)[CH]1O)[C]3(O)O[CH](C=CC=CC)C(C)(C)[CH](O)[CH]3O;CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O","InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1","AURODOX; 1-METHYLMOCIMYCIN; ANTIBIOTIC X-5108; GOLDINODOX; GOLDINOMYCIN","2001-03-29","2020-06-17","(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name)",""],["41L","N-(1H-benzimidazol-1-yl)-2-phenylacetamide","C15 H13 N3 O","O=C(Nn1c2ccccc2nc1)Cc3ccccc3;O=C(Cc1ccccc1)Nn2cnc3ccccc23;c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3","InChI=1S/C15H13N3O/c19-15(10-12-6-2-1-3-7-12)17-18-11-16-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,17,19)","","2010-11-19","2011-10-28","N-(1H-benzimidazol-1-yl)-2-phenylacetamide",""],["41M","N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide","C16 H29 N5 O3 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)N)N;N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(N)=O;C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)N)N)NC(=O)N2","InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1","N-epsilon-Biotinyl-lysine-amid","2015-01-13","2021-03-01","N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide","2015-03-04"],["MAV","alpha-D-mannopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6-/m0/s1","alpha-D-mannuronic acid; D-mannuronic acid; mannuronic acid","2002-12-18","2020-07-17","alpha-D-mannopyranuronic acid",""],["MAW","4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid","C6 H8 O6","OC1C(O)C(O)C=C(O1)C(=O)O;O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O;C1=C(OC(C(C1O)O)O)C(=O)O","InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1","4-deoxy-alpha-L-erythro-hex-4-enuronic acid; 4-deoxy-L-erythro-hex-4-enuronic acid; 4-deoxy-erythro-hex-4-enuronic\nacid","2002-12-18","2020-07-17","4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid",""],["41N","1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone","C20 H20 N2 O4","O=C(c1ccc(cc1)N4CCN(C(=O)c2ccc3OCOc3c2)CC4)C;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4OCOc4c3;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4","InChI=1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3","","2015-01-13","2016-01-15","1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone","2016-01-20"],["41O","5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one","C20 H17 Cl N2 O2","O=C(c1cccc(Cl)c1)N4CCN(c3cc2C=CC(=O)c2cc3)CC4;Clc1cccc(c1)C(=O)N2CCN(CC2)c3ccc4C(=O)C=Cc4c3;c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O","InChI=1S/C20H17ClN2O2/c21-16-3-1-2-15(12-16)20(25)23-10-8-22(9-11-23)17-5-6-18-14(13-17)4-7-19(18)24/h1-7,12-13H,8-11H2","","2015-01-13","2016-01-15","5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one","2016-01-20"],["MAX","MATAIRESINOL","C20 H22 O6","O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3;COc1cc(C[CH]2COC(=O)[CH]2Cc3ccc(O)c(OC)c3)ccc1O;COc1cc(ccc1O)CC2COC(=O)C2Cc3ccc(c(c3)OC)O","InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1","ARTIGENIN CONGENER; DIBENZYLBUTYROLACTONE LIGNANOLIDE","2004-12-23","2020-06-17","(3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one",""],["41P","2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide","C28 H28 N4 O8 S2","O=S(=O)(N(c3c1ccccc1c(N(CC(=O)N)S(=O)(=O)c2ccc(OC)cc2)cc3)CC(=O)N)c4ccc(OC)cc4;COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24;COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C28H28N4O8S2/c1-39-19-7-11-21(12-8-19)41(35,36)31(17-27(29)33)25-15-16-26(24-6-4-3-5-23(24)25)32(18-28(30)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H2,29,33)(H2,30,34)","","2015-01-15","2015-09-25","2,2'-(naphthalene-1,4-diylbis{[(4-methoxyphenyl)sulfonyl]imino})diacetamide (non-preferred name)","2015-09-30"],["MAY","METHYL ARACHIDONYL FLUOROPHOSPHONATE","C21 H36 F O2 P","FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC;CCCCCC=CCC=CCC=CCC=CCCCC[P](F)(=O)OC;CCCCCC=CCC=CCC=CCC=CCCCCP(=O)(OC)F","InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1","MAFP","2002-10-01","2024-09-27","methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate",""],["41Q","4-imino-L-homoserine","C4 H8 N2 O3","O=C(O)C(N)CC(=[N@H])O;N[CH](CC(O)=N)C(O)=O;C(C(C(=O)O)N)C(=N)O","InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1","","2015-01-15","2024-09-27","4-imino-L-homoserine","2015-10-07"],["MAZ","FORMIC ACID 3-AMINO-BENZYL ESTER","C8 H9 N O3","O=COCc1cc(N)ccc1;Nc1cccc(COC(O)=O)c1;c1cc(cc(c1)N)COC(=O)O","InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)","META-AMINO BENZYLOCARBONYL","2001-09-21","2024-09-27","3-aminobenzyl formate",""],["MB0","(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile","C18 H18 Cl2 N4 O","N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3;CN1CCC2(CC1)NC(=O)c3n(C)c4c(Cl)c(Cl)ccc4c3[CH]2C#N;Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4(C3C#N)CCN(CC4)C","InChI=1/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1/f/h22H","","2008-05-01","2009-08-04","(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",""],["41R","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide","C16 H25 F N2 O4 S","Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C)C;CC(C)CN([CH](C(C)C)C(=O)NO)[S](=O)(=O)c1ccc(F)c(C)c1;Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)C(C(C)C)C(=O)NO","InChI=1S/C16H25FN2O4S/c1-10(2)9-19(15(11(3)4)16(20)18-21)24(22,23)13-6-7-14(17)12(5)8-13/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1","","2015-01-16","2015-11-06","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide","2015-11-11"],["41S","N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide","C16 H25 F N2 O5 S","Fc1c(OC)cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C;COc1cc(ccc1F)[S](=O)(=O)N(CC(C)C)[CH](C(C)C)C(=O)NO;CC(C)CN(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F","InChI=1S/C16H25FN2O5S/c1-10(2)9-19(15(11(3)4)16(20)18-21)25(22,23)12-6-7-13(17)14(8-12)24-5/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1","","2015-01-16","2015-11-06","N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide","2015-11-11"],["MB1","2-chloro-5-nitrobenzenesulfonamide","C6 H5 Cl N2 O4 S","O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N;N[S](=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl","InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)","","2007-09-04","2011-06-04","2-chloro-5-nitrobenzenesulfonamide",""],["41T","N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide","C17 H28 N2 O5 S","O=S(=O)(N(C(C(=O)NO)C(C)C)CC(C)C)c1cc(ccc1)COC;COCc1cccc(c1)[S](=O)(=O)N(CC(C)C)[CH](C(C)C)C(=O)NO;CC(C)CN(C(C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC","InChI=1S/C17H28N2O5S/c1-12(2)10-19(16(13(3)4)17(20)18-21)25(22,23)15-8-6-7-14(9-15)11-24-5/h6-9,12-13,16,21H,10-11H2,1-5H3,(H,18,20)/t16-/m1/s1","","2015-01-16","2015-11-06","N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide","2015-11-11"],["MB2","5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","C12 H11 F N4 O5 S2","O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(F)cc1)cc2)N;N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2ccc(F)cc2)cn1;c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N","InChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18)","","2013-05-23","2014-06-20","5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","2014-06-25"],["41U","nisoxetine","C17 H21 N O2","O(c1ccccc1OC)C(c2ccccc2)CCNC;CNCC[CH](Oc1ccccc1OC)c2ccccc2;CNCCC(c1ccccc1)Oc2ccccc2OC","InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1","(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine","2015-01-16","2021-03-01","(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine","2015-05-13"],["MB3","1-methylpyrrolidin-2-one","C5 H9 N O","O=C1N(C)CCC1;CN1CCCC1=O;CN1CCCC1=O","InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3","","2010-03-30","2011-06-04","1-methylpyrrolidin-2-one",""],["MB4","5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","C13 H14 N4 O5 S2","O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccccc1C)cc2)N;Cc1ccccc1[S](=O)(=O)NC(=O)Nc2ccc(nc2)[S](N)(=O)=O;Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N","InChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18)","","2013-05-23","2014-06-20","5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","2014-06-25"],["41V","(1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol","C26 H44 O3","OC3CC(=C/C=C1/CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C","InChI=1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10-/t18-,21-,22-,23-,24-,26-/m1/s1","","2015-01-20","2016-01-08","(1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol","2016-01-13"],["41W","(1R,3R)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol","C26 H44 O3","OC3CC(=C/C=C1/CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C","InChI=1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10-/t18-,21-,22-,23-,24+,26-/m1/s1","","2015-01-27","2016-01-15","(1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol","2016-01-20"],["MB5","(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","C21 H24 Cl N3 O","N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cc(cc4)Cl)n5)(C)C)C6;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c6ccc(Cl)cc6[nH]c15)NC4=O;CC1(c2c(c3ccc(cc3[nH]2)Cl)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1","malbrancheamide B","2017-07-17","2021-03-01","(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2017-08-16"],["41X","(2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine","C19 H23 N O3","CCOc1ccccc1OC(C2OCCNC2)c3ccccc3;CCOc1ccccc1O[CH]([CH]2CNCCO2)c3ccccc3;CCOc1ccccc1OC(c2ccccc2)C3CNCCO3","InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1","Reboxetine","2015-01-16","2020-06-17","(2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine","2015-05-13"],["MB6","5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","C12 H11 Cl N4 O5 S2","O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)cc2)N;N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2ccc(Cl)cc2)cn1;c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl","InChI=1S/C12H11ClN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18)","","2013-05-23","2014-06-20","5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","2014-06-25"],["41Y","2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol","C32 H41 F N2 O2","CC(C)c1ccc(cc1)C(C)N1CCc2c(ccc(OC)c2c2cc(F)c(O)c(NCC(C)C)c2)C1C;COc1ccc2[CH](C)N(CCc2c1c3cc(F)c(O)c(NCC(C)C)c3)[CH](C)c4ccc(cc4)C(C)C;CC1c2ccc(c(c2CCN1C(C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC","InChI=1S/C32H41FN2O2/c1-19(2)18-34-29-17-25(16-28(33)32(29)36)31-27-14-15-35(22(6)26(27)12-13-30(31)37-7)21(5)24-10-8-23(9-11-24)20(3)4/h8-13,16-17,19-22,34,36H,14-15,18H2,1-7H3/t21-,22+/m0/s1","","2021-07-07","2022-04-08","2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol","2022-04-13"],["MB7","5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","C13 H14 N4 O5 S2","O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(cc1)C)cc2)N;Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2ccc(nc2)[S](N)(=O)=O;Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N","InChI=1S/C13H14N4O5S2/c1-9-2-5-11(6-3-9)24(21,22)17-13(18)16-10-4-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18)","","2013-05-23","2014-06-20","5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide","2014-06-25"],["MB8","(2Z)-2-methylbut-2-enoic acid","C5 H8 O2","O=C(O)C(=C/C)C;CC=C(C)C(O)=O;CC=C(C)C(=O)O","InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-","","2012-09-21","2024-09-27","(2Z)-2-methylbut-2-enoic acid","2014-05-07"],["41Z","4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide","C20 H21 N3 O","O=C(c1cccc2c(cc(nc12)C)NCc3c(cccc3C)C)N;Cc1cc(NCc2c(C)cccc2C)c3cccc(C(N)=O)c3n1;Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C","InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)","","2015-01-17","2015-08-21","4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide","2015-08-26"],["MB9","(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile","C17 H17 Cl N4 O","Clc4ccc3c(n(c2C(=O)NC1(CCNCC1)C(C#N)c23)C)c4;Cn1c2cc(Cl)ccc2c3[CH](C#N)C4(CCNCC4)NC(=O)c13;Cn1c2cc(ccc2c3c1C(=O)NC4(C3C#N)CCNCC4)Cl","InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1","","2008-05-01","2011-06-04","(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",""],["420","N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE","C16 H20 I N3 O3 S","ICC(=O)NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCNC(=O)CI;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI","InChI=1S/C16H20IN3O3S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)19-10-9-18-16(21)11-17/h3-8,19H,9-11H2,1-2H3,(H,18,21)","","2009-10-19","2024-09-27","N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide",""],["MBA","2-METHYLBUTYLAMINE","C5 H13 N","NCC(C)CC;CC[CH](C)CN;CCC(C)CN","InChI=1/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1","","1999-07-08","2008-10-14","(2S)-2-methylbutan-1-amine",""],["421","6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER","C21 H19 N3 O4","O=C(OC)c2cc1c(cc(C(=[N@H])N)cc1)c(c2)NC(=O)c3cccc(O)c3C;COC(=O)c1cc(NC(=O)c2cccc(O)c2C)c3cc(ccc3c1)C(N)=N;[H]N=C(c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)N","InChI=1S/C21H19N3O4/c1-11-15(4-3-5-18(11)25)20(26)24-17-10-14(21(27)28-2)8-12-6-7-13(19(22)23)9-16(12)17/h3-10,25H,1-2H3,(H3,22,23)(H,24,26)","METHYL 6-[AMINO(IMINO)METHYL]-4-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-2-NAPHTHOATE","2005-06-02","2021-03-01","methyl 6-carbamimidoyl-4-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}naphthalene-2-carboxylate",""],["422","3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE","C23 H24 N6","N#Cc1cc2c(cc1)c(nn2)c4cc3cc(ccc3n4)CN5CCC(CC5)CN;NCC1CCN(CC1)Cc2ccc3[nH]c(cc3c2)c4n[nH]c5cc(ccc45)C#N;c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N","InChI=1S/C23H24N6/c24-12-15-5-7-29(8-6-15)14-17-2-4-20-18(9-17)11-22(26-20)23-19-3-1-16(13-25)10-21(19)27-28-23/h1-4,9-11,15,26H,5-8,12,14,24H2,(H,27,28)","","2006-08-07","2011-06-04","3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1H-indol-2-yl)-1H-indazole-6-carbonitrile",""],["MBB","2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C28 H31 N7","n2c(c1ccc(N(C)C)cc1C)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C)CC6;CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6C)N(C)C;Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C","InChI=1S/C28H31N7/c1-18-15-20(33(2)3)6-8-22(18)28-30-23-9-5-19(16-25(23)32-28)27-29-24-10-7-21(17-26(24)31-27)35-13-11-34(4)12-14-35/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)(H,30,32)","","1999-07-08","2011-06-04","N,N,3-trimethyl-4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]aniline",""],["423","(1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid","C48 H75 N13 O27","O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)OCc2nnn(c2)CCN(CCn3nnc(c3)COC4(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(=O)O)CCn5nnc(c5)COC6(OC(C(NC(=O)C)C(O)C6)C(O)C(O)CO)C(=O)O;CC(=O)N[CH]1[CH](O)C[C](OCc2cn(CCN(CCn3cc(CO[C]4(C[CH](O)[CH](NC(C)=O)[CH](O4)[CH](O)[CH](O)CO)C(O)=O)nn3)CCn5cc(CO[C]6(C[CH](O)[CH](NC(C)=O)[CH](O6)[CH](O)[CH](O)CO)C(O)=O)nn5)nn2)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)COC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O","InChI=1S/C48H75N13O27/c1-22(65)49-34-28(68)10-46(43(77)78,86-40(34)37(74)31(71)16-62)83-19-25-13-59(55-52-25)7-4-58(5-8-60-14-26(53-56-60)20-84-47(44(79)80)11-29(69)35(50-23(2)66)41(87-47)38(75)32(72)17-63)6-9-61-15-27(54-57-61)21-85-48(45(81)82)12-30(70)36(51-24(3)67)42(88-48)39(76)33(73)18-64/h13-15,28-42,62-64,68-76H,4-12,16-21H2,1-3H3,(H,49,65)(H,50,66)(H,51,67)(H,77,78)(H,79,80)(H,81,82)/t28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,46+,47+,48+/m0/s1","","2015-01-19","2015-07-24","(1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid","2015-07-29"],["MBC","2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE","C19 H16 N6 O","n2c1c(ccc(C(=[N@H])N)c1)nc2c3oc(cc3)c4ccc(C(=[N@H])N)cc4;NC(=N)c1ccc(cc1)c2oc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N;[H]N=C(c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)C(=N[H])N)N","InChI=1S/C19H16N6O/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25)","DB 293","2006-08-18","2021-03-01","2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-benzimidazole-5-carboximidamide",""],["424","(2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide","C25 H25 Cl2 N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5;Clc1ccc(cc1)C2(CC2)C(=O)N3C[CH](C[CH]3C(=O)NC4(CC4)C=N)[S](=O)(=O)c5ccccc5Cl;[H]N=CC1(CC1)NC(=O)C2CC(CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl","InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1","","2010-10-15","2024-09-27","(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide",""],["MBD","3-METHYLCATECHOL","C7 H8 O2","Oc1c(cccc1O)C;Cc1cccc(O)c1O;Cc1cccc(c1O)O","InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3","3-METHYL-BENZENE-1,2-DIOL","2001-12-19","2024-09-27","3-methylbenzene-1,2-diol",""],["425","2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid","C51 H81 N13 O27","O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)OCCc2nnn(c2)CCN(CCn3nnc(c3)CCOC4(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(=O)O)CCn5nnc(c5)CCOC6(OC(C(NC(=O)C)C(O)C6)C(O)C(O)CO)C(=O)O;CC(=O)N[CH]1[CH](O)C[C](OCCc2cn(CCN(CCn3cc(CCO[C]4(C[CH](O)[CH](NC(C)=O)[CH](O4)[CH](O)[CH](O)CO)C(O)=O)nn3)CCn5cc(CCO[C]6(C[CH](O)[CH](NC(C)=O)[CH](O6)[CH](O)[CH](O)CO)C(O)=O)nn5)nn2)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCOC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCOC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O","InChI=1S/C51H81N13O27/c1-25(68)52-37-31(71)16-49(46(80)81,89-43(37)40(77)34(74)22-65)86-13-4-28-19-62(58-55-28)10-7-61(8-11-63-20-29(56-59-63)5-14-87-50(47(82)83)17-32(72)38(53-26(2)69)44(90-50)41(78)35(75)23-66)9-12-64-21-30(57-60-64)6-15-88-51(48(84)85)18-33(73)39(54-27(3)70)45(91-51)42(79)36(76)24-67/h19-21,31-45,65-67,71-79H,4-18,22-24H2,1-3H3,(H,52,68)(H,53,69)(H,54,70)(H,80,81)(H,82,83)(H,84,85)/t31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+,50+,51+/m0/s1","","2015-01-19","2015-07-24","2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid","2015-07-29"],["MBE","4-nitrophenyl beta-D-mannopyranoside","C12 H15 N O8","OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12-/m1/s1","4-Nitrophenyl-beta-D-mannopyranoside; 4-nitrophenyl beta-D-mannoside; 4-nitrophenyl D-mannoside; 4-nitrophenyl\nmannoside","2016-07-07","2020-07-17","(2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol","2016-08-10"],["426","6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE","C23 H23 N3 O2","O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4cc(OC3CCCC3)ccc4;NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3cccc(OC4CCCC4)c3;[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)N","InChI=1S/C23H23N3O2/c24-22(25)17-10-8-16-13-18(11-9-15(16)12-17)23(27)26-19-4-3-7-21(14-19)28-20-5-1-2-6-20/h3-4,7-14,20H,1-2,5-6H2,(H3,24,25)(H,26,27)","6-[N-(3-CYCLOPENTYLOXYPHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE","2003-04-09","2020-06-17","6-carbamimidoyl-N-[3-(cyclopentyloxy)phenyl]naphthalene-2-carboxamide",""],["MBF","2-deoxy-2-fluoro-beta-D-mannopyranose","C6 H11 F O5","FC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)F)O)O)O","InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1","2-DEOXY-2-FLUORO-BETA-D-MANNOSE; 2-deoxy-2-fluoro-D-mannose; 2-deoxy-2-fluoro-mannose","2002-02-28","2020-07-17","2-deoxy-2-fluoro-beta-D-mannopyranose",""],["427","(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE","C10 H14 B N3 O3","OCC1OB(OC1)c2ccc(NC(=[N@H])N)cc2;NC(=N)Nc1ccc(cc1)B2OC[CH](CO)O2;[H]N=C(N)Nc1ccc(cc1)B2OCC(O2)CO","InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1","","2005-06-02","2024-09-27","1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}guanidine",""],["MBG","methyl beta-D-galactopyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1","METHYL-BETA-GALACTOSE; methyl beta-D-galactoside; methyl D-galactoside; methyl galactoside","1999-07-08","2020-07-17","methyl beta-D-galactopyranoside",""],["428","2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol","C9 H11 N3 O","CC(C)c1cn2nc(O)ccc2n1;CC(C)c1cn2c(n1)ccc(n2)O","InChI=1S/C9H11N3O/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12/h3-6H,1-2H3,(H,11,13)","","2010-01-06","2011-06-04","2-propan-2-ylimidazo[2,1-f]pyridazin-6-ol",""],["MBH","(1R)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium","C10 H15 N2 O2","O=C(O)C[N+](N)(Cc1ccccc1)C;C[N+](N)(CC(O)=O)Cc1ccccc1;C[N+](Cc1ccccc1)(CC(=O)O)N","InChI=1S/C10H14N2O2/c1-12(11,8-10(13)14)7-9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3/p+1/t12-/m1/s1","","1999-07-08","2011-06-04","(1R)-1-benzyl-1-(carboxymethyl)-1-methylhydrazinium",""],["429","2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER","C25 H30 N2 O10","O=C(OC)c2c(O)cccc2OCCCCNC(=O)C(NC(=O)C)Cc1ccc(OCC(=O)O)c(O)c1;COC(=O)c1c(O)cccc1OCCCCNC(=O)[CH](Cc2ccc(OCC(O)=O)c(O)c2)NC(C)=O;CC(=O)NC(Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O","InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1","COMPOUND 20","2003-09-16","2021-03-01","{4-[(2S)-2-(acetylamino)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]-2-hydroxyphenoxy}acetic acid",""],["MBI","3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid","C25 H23 Br Cl N3 O3","Cc1ccc(Cl)cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Br)cc4)C(O)=O;Cc1ccc(cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)Br)C(=O)O)Cl","InChI=1S/C25H23BrClN3O3/c1-16-2-8-20(27)15-23(16)30-12-10-29(11-13-30)22-9-5-18(25(32)33)14-21(22)28-24(31)17-3-6-19(26)7-4-17/h2-9,14-15H,10-13H2,1H3,(H,28,31)(H,32,33)","","2022-12-23","2023-12-15","3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid","2023-12-20"],["42A","1H-pyrrolo[2,3-b]pyridine-3-carbonitrile","C8 H5 N3","N#Cc2c1cccnc1nc2;N#Cc1c[nH]c2ncccc12;c1cc2c(c[nH]c2nc1)C#N","InChI=1S/C8H5N3/c9-4-6-5-11-8-7(6)2-1-3-10-8/h1-3,5H,(H,10,11)","","2015-01-19","2015-08-07","1H-pyrrolo[2,3-b]pyridine-3-carbonitrile","2015-08-12"],["MBK","~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide","C22 H26 Br N5 O4 S","CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3","InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30)","","2019-10-10","2020-08-14","~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide","2020-08-19"],["42B","4-AMINO-2-HYDROXYBUTANOIC ACID","C4 H9 N O3","O=C(O)C(O)CCN;NCC[CH](O)C(O)=O;C(CN)C(C(=O)O)O","InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1","","2002-12-17","2011-06-04","(2R)-4-amino-2-hydroxybutanoic acid",""],["MBL","1-pentyl-4-phenyl-imidazol-2-amine","C14 H19 N3","CCCCCn1cc(nc1N)c2ccccc2;CCCCCn1cc(nc1N)c2ccccc2","InChI=1S/C14H19N3/c1-2-3-7-10-17-11-13(16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16)","","2015-09-29","2016-09-30","1-pentyl-4-phenyl-imidazol-2-amine","2016-10-05"],["MBM","N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide","C28 H32 N6 O4","O=C2N(CC(=O)N1CCCC1)CCCCC2N/C(=Nc4cc3c(oc(c3)C)cc4)NC(=O)c5cccnc5;Cc1oc2ccc(cc2c1)N=C(N[CH]3CCCCN(CC(=O)N4CCCC4)C3=O)NC(=O)c5cccnc5;Cc1cc2cc(ccc2o1)N=C(NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)c5cccnc5","InChI=1S/C28H32N6O4/c1-19-15-21-16-22(9-10-24(21)38-19)30-28(32-26(36)20-7-6-11-29-17-20)31-23-8-2-3-14-34(27(23)37)18-25(35)33-12-4-5-13-33/h6-7,9-11,15-17,23H,2-5,8,12-14,18H2,1H3,(H2,30,31,32,36)/t23-/m0/s1","","2009-10-22","2011-06-04","N-[N'-(2-methyl-1-benzofuran-5-yl)-N-{(3S)-2-oxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]azepan-3-yl}carbamimidoyl]pyridine-3-carboxamide",""],["42C","N,N-dimethyl-7H-purin-6-amine","C7 H9 N5","n1c(c2c(nc1)ncn2)N(C)C;CN(C)c1ncnc2nc[nH]c12;CN(C)c1c2c(nc[nH]2)ncn1","InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)","","2009-06-25","2011-06-04","N,N-dimethyl-7H-purin-6-amine",""],["MBN","TOLUENE","C7 H8","c1ccccc1C;Cc1ccccc1;Cc1ccccc1","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","","1999-07-08","2011-06-04","methylbenzene",""],["42D","3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C11 H19 N O10","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)OC)C(O)C1;COC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;COC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O","InChI=1S/C11H19NO10/c1-21-10(19)12-6-4(14)2-11(20,9(17)18)22-8(6)7(16)5(15)3-13/h4-8,13-16,20H,2-3H2,1H3,(H,12,19)(H,17,18)/t4-,5+,6+,7+,8+,11+/m0/s1","3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-galacto-non-2-ulosonic acid","2009-04-27","2020-10-19","3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",""],["42E","[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate","C8 H12 N3 O6 P S","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CS2;NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1","3TC-MP","2015-01-29","2020-06-17","[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate","2017-01-11"],["MBO","MERCURIBENZOIC ACID","C7 H5 Hg O2","[Hg]c1ccc(C(=O)O)cc1;OC(=O)c1ccc([Hg])cc1;c1cc(ccc1C(=O)O)[Hg]","InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);","","1999-07-08","2011-06-04","(4-carboxyphenyl)mercury",""],["42F","methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","C16 H20 I N O2","Ic1ccc(cc1)C3CC2N(C)C(CC2)C3C(=O)OC;COC(=O)[CH]1[CH]2CC[CH](C[CH]1c3ccc(I)cc3)N2C;CN1C2CCC1C(C(C2)c3ccc(cc3)I)C(=O)OC","InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1","","2015-01-20","2015-05-01","methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","2015-05-06"],["MBP","1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL","C10 H13 N5 O2","O=C(C(C)C)COc1nc(nc2ncnc12)N;CC(C)C(=O)COc1nc(N)nc2nc[nH]c12;CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N","InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15)","","2002-05-17","2011-06-04","1-[(2-amino-7H-purin-6-yl)oxy]-3-methylbutan-2-one",""],["42G","4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide","C21 H29 N3 O5 S","c1(S(=O)(=O)N)ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(O)CNC(C)C;CC(C)NC[CH](O)COc1ccc(cc1)C(=O)NCCc2ccc(cc2)[S](N)(=O)=O;CC(C)NCC(COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O","InChI=1S/C21H29N3O5S/c1-15(2)24-13-18(25)14-29-19-7-5-17(6-8-19)21(26)23-12-11-16-3-9-20(10-4-16)30(22,27)28/h3-10,15,18,24-25H,11-14H2,1-2H3,(H,23,26)(H2,22,27,28)/t18-/m1/s1","aryloxy-2-hydroxypropylammine sulfonamide","2017-08-07","2020-06-17","4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide","2018-08-01"],["MBQ","2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE","C20 H22 N2 O6","O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2;Cc1ccc(OCC(Nc2cc(C[CH](N)C(O)=O)c(O)cc2O)=CC=O)cc1;Cc1ccc(cc1)OCC(=CC=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N","InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1","","2004-03-04","2024-09-27","2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine",""],["42H","(4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide","C26 H53 N O7 P","O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-/t25-/m1/s1","","2015-01-20","2015-01-23","(4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide","2015-01-28"],["MBR","TRIBROMOMETHANE","C H Br3","BrC(Br)Br;BrC(Br)Br;C(Br)(Br)Br","InChI=1S/CHBr3/c2-1(3)4/h1H","","1999-07-08","2014-09-12","tribromomethane",""],["42I","N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide","C20 H15 N3 O2","Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2;c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O","InChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25)","","2021-06-28","2022-08-22","~{N}-[6-(4-hydroxyphenyl)-1~{H}-indazol-3-yl]benzamide","2021-12-01"],["MBS","R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID","C20 H21 N O6 S","O=C(O)C(NS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2)CC#CCOC;COCC#CC[CH](N[S](=O)(=O)c1ccc(cc1)c2ccc(OC)cc2)C(O)=O;COCC#CCC(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC","InChI=1S/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)/t19-/m1/s1","","2001-01-24","2011-06-04","(2R)-6-methoxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl]amino}hex-4-ynoic acid",""],["42J","2-(3,4-dichlorophenyl)ethanamine","C8 H9 Cl2 N","Clc1ccc(cc1Cl)CCN;NCCc1ccc(Cl)c(Cl)c1;c1cc(c(cc1CCN)Cl)Cl","InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2","","2015-01-22","2015-05-01","2-(3,4-dichlorophenyl)ethanamine","2015-05-06"],["MBT","3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM","C16 H18 N3 S","[s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3;CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C;CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C","InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1","METHYLENE BLUE","2007-04-13","2020-06-17","3,7-bis(dimethylamino)phenothiazin-5-ium",""],["42K","4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide","C14 H11 N7 O3 S","N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4[nH]nnc4c23)cc1;c1cc(ccc1NN=C2c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N","InChI=1S/C14H11N7O3S/c15-25(23,24)8-3-1-7(2-4-8)17-19-13-11-9(16-14(13)22)5-6-10-12(11)20-21-18-10/h1-6,17H,(H2,15,23,24)(H,16,19,22)(H,18,20,21)","","2012-06-15","2016-11-21","4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide",""],["MBU","(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one","C30 H31 F3 N6 O","FC(F)(F)c1nn(CC)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(CCc21)C(c1cc(C)ccn1)C1CC1;CCn1cc(c2cc(Cn3ccnc3C)cc4C(=O)N(CCc24)[CH](C5CC5)c6cc(C)ccn6)c(n1)C(F)(F)F;CCn1cc(c(n1)C(F)(F)F)c2cc(cc3c2CCN(C3=O)C(c4cc(ccn4)C)C5CC5)Cn6ccnc6C","InChI=1S/C30H31F3N6O/c1-4-38-17-25(28(36-38)30(31,32)33)23-14-20(16-37-12-10-34-19(37)3)15-24-22(23)8-11-39(29(24)40)27(21-5-6-21)26-13-18(2)7-9-35-26/h7,9-10,12-15,17,21,27H,4-6,8,11,16H2,1-3H3/t27-/m0/s1","","2022-03-15","2022-04-29","(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one","2022-05-04"],["42L","methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","C16 H20 F N O2","Fc1ccc(cc1)C3CC2N(C)C(CC2)C3C(=O)OC;COC(=O)[CH]1[CH]2CC[CH](C[CH]1c3ccc(F)cc3)N2C;CN1C2CCC1C(C(C2)c3ccc(cc3)F)C(=O)OC","InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1","","2015-01-22","2015-05-01","methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","2015-05-06"],["MBV","MESOBILIVERDIN IV ALPHA","C33 H38 N4 O6","CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4CC)C)C(=C3C)CCC(O)=O)c(C)c2CCC(O)=O;CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C","InChI=1S/C33H38N4O6/c1-7-20-18(5)32(42)36-26(20)14-28-22(9-11-30(38)39)16(3)24(34-28)13-25-17(4)23(10-12-31(40)41)29(35-25)15-27-21(8-2)19(6)33(43)37-27/h13-15,34H,7-12H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b25-13-,26-14-,27-15-","","2000-11-20","2011-06-04","3-[(5Z)-5-[[4-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid",""],["MBW","7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one","C18 H20 N8 O2","CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13;Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5","InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)","","2019-10-10","2019-12-27","7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one","2020-01-01"],["MBX","~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide","C28 H34 N4 O3 S","C[CH]1CN(C[CH](C)O1)c2nc(SCCc3ccc(NC(=O)C=C)cc3)c(C#N)c4CC(C)(C)OCc24;CC1CN(CC(O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C","InChI=1S/C28H34N4O3S/c1-6-25(33)30-21-9-7-20(8-10-21)11-12-36-27-23(14-29)22-13-28(4,5)34-17-24(22)26(31-27)32-15-18(2)35-19(3)16-32/h6-10,18-19H,1,11-13,15-17H2,2-5H3,(H,30,33)/t18-,19-/m0/s1","","2015-11-10","2016-04-01","~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide","2016-04-06"],["MBY","(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol","C12 H15 N3 O4 S","n1c(O)c2scc(c2nc1)CN3C(CO)C(O)C(O)C3;OC[CH]1[CH](O)[CH](O)CN1Cc2csc3c(O)ncnc23;c1c(c2c(s1)c(ncn2)O)CN3CC(C(C3CO)O)O","InChI=1S/C12H15N3O4S/c16-3-7-10(18)8(17)2-15(7)1-6-4-20-11-9(6)13-5-14-12(11)19/h4-5,7-8,10,16-18H,1-3H2,(H,13,14,19)/t7-,8+,10-/m1/s1","","2012-12-05","2013-08-02","(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol","2013-08-07"],["MBZ","1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-BENZOIMIDAZOLE-5'-MONOPHOSPHATE","C13 H17 N2 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(cccc12)C)CC3O;Cc1cccc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;Cc1cccc2c1ncn2C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C13H17N2O6P/c1-8-3-2-4-9-13(8)14-7-15(9)12-5-10(16)11(21-12)6-20-22(17,18)19/h2-4,7,10-12,16H,5-6H2,1H3,(H2,17,18,19)/t10-,11+,12+/m0/s1","","2000-02-03","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-benzimidazole",""],["MC","1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE","C14 H16 N4 O5","O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(N)C3O)COC(=O)N;CC1=C(N)C(=O)c2c(COC(N)=O)c3[CH](O)[CH](N)Cn3c2C1=O;CC1=C(C(=O)c2c(c3n(c2C1=O)CC(C3O)N)COC(=O)N)N","InChI=1S/C14H16N4O5/c1-4-8(16)13(21)7-5(3-23-14(17)22)9-12(20)6(15)2-18(9)10(7)11(4)19/h6,12,20H,2-3,15-16H2,1H3,(H2,17,22)/t6-,12-/m0/s1","CARBAMIC ACID 2,6-DIAMINO-1-HYDROXY-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER","2001-12-27","2021-03-13","[(1S,2S)-2,7-diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate",""],["MC0","(S)-Methylmalonyl-Coenzyme A","C25 H40 N7 O19 P3 S","c3n(C1OC(C(C1O)OP(O)(O)=O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)=O)c2ncnc(c2n3)N;C[CH](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18-,22+/m0/s1","(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)","2020-06-11","2021-03-13","(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)","2020-07-08"],["MC1","METHICILLIN ACYL-SERINE","C20 H25 N3 O9 S","O=C(NC(C(=O)OCC(C([O-])=O)N)C1SC(C(N1)C([O-])=O)(C)C)c2c(OC)cccc2OC;COc1cccc(OC)c1C(=O)N[CH]([CH]2N[CH](C([O-])=O)C(C)(C)S2)C(=O)OC[CH](N)C([O-])=O;CC1(C(NC(S1)C(C(=O)OCC(C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C","InChI=1S/C20H27N3O9S/c1-20(2)14(18(27)28)23-16(33-20)13(19(29)32-8-9(21)17(25)26)22-15(24)12-10(30-3)6-5-7-11(12)31-4/h5-7,9,13-14,16,23H,8,21H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)/p-2/t9-,13-,14-,16+/m0/s1","","2002-10-07","2012-02-07","(2R,4S)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylate",""],["MC2","N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE","C25 H30 N6 O2","O=C(NC(C(=O)Nc2ccc1c(cccc1)c2)CCCNC(=[N@H])N)C(N)Cc3ccccc3;N[CH](Cc1ccccc1)C(=O)N[CH](CCCNC(N)=N)C(=O)Nc2ccc3ccccc3c2;[H]N=C(N)NCCCC(C(=O)Nc1ccc2ccccc2c1)NC(=O)C(Cc3ccccc3)N","InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1","","2004-10-08","2011-06-04","L-phenylalanyl-N-naphthalen-2-yl-L-argininamide",""],["MC3","1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE","C36 H72 N O8 P","O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC","InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1","","2005-10-18","2011-06-04","(2R)-2,3-bis(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate",""],["MC4","2-METHYLACETOACETYL COA","C26 H41 N7 O18 P3 S","CC(=O)C(C)=C([O-])SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=C([O-])SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)C","InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,15,18-20,24,36-37,39H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-1/b25-13-/t15-,18-,19-,20+,24-/m1/s1","","2011-05-16","2012-03-23","(Z)-1-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxo-but-1-en-1-olate",""],["MC5","(5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione","C21 H16 F N O3 S","Fc1ccccc1COc3ccc2cc(ccc2c3)CC4SC(=O)NC4=O;Fc1ccccc1COc2ccc3cc(C[CH]4SC(=O)NC4=O)ccc3c2;c1ccc(c(c1)COc2ccc3cc(ccc3c2)CC4C(=O)NC(=O)S4)F","InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)/t19-/m0/s1","Netoglitazone","2011-06-22","2021-03-01","(5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione",""],["MC8","2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1S)-2-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid","C23 H28 N10 O13 S2","O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NC(C=O)C/N=C4OOS(O)(N3N=C(c2ncc(O)c(O)c2)N(C3=O)CC(O)CO)N4)(C)C;CC(C)(ON=C(C(=O)N[CH](CN=C1N[S](O)(OO1)N2N=C(N(C[CH](O)CO)C2=O)c3cc(O)c(O)cn3)C=O)c4csc(N)n4)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(CN=C2NS(OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)CC(CO)O)O)C=O","InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)45-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21-31-48(43,46-44-21)33-22(42)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38,43H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,26,31)(H,27,39)(H,40,41)/b30-16-/t10-,11+/m0/s1","MC-1","2010-10-26","2021-03-01","2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S)-1-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-3-oxopropan-2-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid",""],["MC9","CALCIPOTRIOL","C27 H40 O3","OC4C(=C)/C(=CC=C2/CCCC3(C)C(C(/C=C/C(O)C1CC1)C)CCC23)CC(O)C4;C[CH](C=C[CH](O)C1CC1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C","InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1","(1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL;\n1-ALPHA,24S-(OH)2-22-ENE-26,27-DEHYDROVITAMIN D3","2004-01-14","2020-06-17","(1S,3R,5Z,7E,14beta,17alpha,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol",""],["MCA","METHYLMALONYL-COENZYME A","C25 H40 N7 O19 P3 S","O=C(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C;C[CH](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1","","1999-07-08","2011-06-04","(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)",""],["MCB","METHYLENE CARBONYL GROUP","C2 H4 O","O=CC;CC=O;CC=O","InChI=1/C2H4O/c1-2-3/h2H,1H3","","2004-06-30","2008-10-14","acetaldehyde",""],["MCD","METHYLMALONYL(CARBADETHIA)-COENZYME A","C26 H42 N7 O19 P3","O=C(O)C(C(=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C;C[CH](C(O)=O)C(=O)CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C(=O)CCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O","InChI=1S/C26H42N7O19P3/c1-13(25(39)40)14(34)5-4-7-28-16(35)6-8-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-15-19(51-53(41,42)43)18(36)24(50-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,4-10H2,1-3H3,(H,28,35)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,15+,18+,19+,20-,24+/m0/s1","","1999-07-08","2011-06-04","(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)",""],["MCE","CHLOROETHYL GROUP","C2 H5 Cl","ClCC;CCCl;CCCl","InChI=1/C2H5Cl/c1-2-3/h2H2,1H3","","1999-07-08","2008-10-14","chloroethane",""],["MCF","(8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol","C12 H18 N4 O4 S","n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3O)CSC;CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23;CSCC1C(C(C(O1)n2cnc3c2N=CNCC3O)O)O","InChI=1S/C12H18N4O4S/c1-21-3-7-9(18)10(19)12(20-7)16-5-15-8-6(17)2-13-4-14-11(8)16/h4-7,9-10,12,17-19H,2-3H2,1H3,(H,13,14)/t6-,7-,9-,10-,12-/m1/s1","","2008-10-17","2011-06-04","(8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol",""],["MCG","(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE","C10 H11 N O4","O=C(O)C(N)(c1ccc(C(=O)O)cc1)C;C[C](N)(C(O)=O)c1ccc(cc1)C(O)=O;CC(c1ccc(cc1)C(=O)O)(C(=O)O)N","InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1","4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID","2002-01-07","2021-03-01","4-[(1S)-1-amino-1-carboxyethyl]benzoic acid",""],["MCH","trichloromethane","C H Cl3","ClC(Cl)Cl;ClC(Cl)Cl;C(Cl)(Cl)Cl","InChI=1S/CHCl3/c2-1(3)4/h1H","Chloroform CHCl3","2009-02-16","2020-06-17","trichloromethane",""],["MCI","(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID","C19 H19 N5 O3 S2","O=C(O)C(=NC(=O)C(CCc1ccccc1)CS)/c2sc(cc2)Cn3nnnc3;OC(=O)C(=NC(=O)[CH](CS)CCc1ccccc1)c2sc(Cn3cnnn3)cc2;c1ccc(cc1)CCC(CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O","InChI=1S/C19H19N5O3S2/c25-18(14(11-28)7-6-13-4-2-1-3-5-13)21-17(19(26)27)16-9-8-15(29-16)10-24-12-20-22-23-24/h1-5,8-9,12,14,28H,6-7,10-11H2,(H,26,27)/t14-/m1/s1","MERCAPTOCARBOXYLATE INHIBITOR","1999-11-10","2020-06-17","(2E)-{[(2S)-4-phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)thiophen-2-yl]ethanoic acid",""],["MCJ","N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine","C30 H29 N3 O16","O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c3cccc(O)c3O)CO;OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(=O)OC[CH](NC(=O)c3cccc(O)c3O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)OCC(C(=O)OCC(C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O","InChI=1S/C30H29N3O16/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45)/t16-,17+,18-/m0/s1","","2009-07-23","2011-06-04","N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine",""],["MCK","N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine","C23 H25 N3 O13","O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(N)CO;N[CH](CO)C(=O)OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(COC(=O)C(CO)N)C(=O)OCC(C(=O)O)NC(=O)c2cccc(c2O)O","InChI=1S/C23H25N3O13/c24-12(7-27)22(36)38-9-14(26-20(33)11-4-2-6-16(29)18(11)31)23(37)39-8-13(21(34)35)25-19(32)10-3-1-5-15(28)17(10)30/h1-6,12-14,27-31H,7-9,24H2,(H,25,32)(H,26,33)(H,34,35)/t12-,13-,14-/m0/s1","","2009-10-20","2011-06-04","N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine",""],["MCL","NZ-(1-CARBOXYETHYL)-LYSINE","C9 H16 N2 O4","NC(CCCCN=C(/C)C(O)=O)C(=O)O;CC(=NCCCC[CH](N)C(O)=O)C(O)=O;CC(=NCCCCC(C(=O)O)N)C(=O)O","InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1","","2003-09-23","2018-05-29","(E)-N~6~-(1-carboxyethylidene)-L-lysine",""],["MCM","7-AMINO-4-METHYL-CHROMEN-2-ONE","C10 H9 N O2","O=C2Oc1cc(ccc1C(=C2)C)N;CC1=CC(=O)Oc2cc(N)ccc12;CC1=CC(=O)Oc2c1ccc(c2)N","InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3","7-AMINO-4-METHYLCOUMARIN","2003-01-09","2024-09-27","7-amino-4-methyl-2H-chromen-2-one",""],["MCN","PTERIN CYTOSINE DINUCLEOTIDE","C19 H22 N8 O13 P2 S2","O=P(O)(OCC1Oc2nc3nc(nc(O)c3nc2C(S)=C1S)N)OP(=O)(O)OCC5OC(N4C(=O)N=C(N)C=C4)C(O)C5O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3Oc4nc5nc(N)nc(O)c5nc4C(=C3S)S)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O","InChI=1S/C19H22N8O13P2S2/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14/h1-2,5-6,10-11,17,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H3,21,24,25,26,30)/t5-,6-,10-,11-,17-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(S)-{[(S)-{[(8R)-2-amino-4-hydroxy-6,7-disulfanyl-8H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine",""],["MCO","1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID","C9 H15 N O3 S","OC(=O)C1CCCN1C(=O)C(C)CS;C[CH](CS)C(=O)N1CCC[CH]1C(O)=O;CC(CS)C(=O)N1CCCC1C(=O)O","InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m1/s1","","2001-08-28","2025-02-06","1-[(2S)-2-methyl-3-sulfanylpropanoyl]-D-proline",""],["MCP","2-CARBOXY-4-METHYLPIPERIDINE","C7 H13 N O2","O=C(O)C1NCCC(C)C1;C[CH]1CCN[CH](C1)C(O)=O;CC1CCNC(C1)C(=O)O","InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1","","1999-07-08","2011-06-04","(2R,4R)-4-methylpiperidine-2-carboxylic acid",""],["MCQ","{(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C18 H25 N3 O5 S2","C(O)(=O)CN1C(C(N)CCSC)=NC(C1=O)C(c2ccc(O)cc2)SCCO;CSCC[CH](N)C1=N[CH]([CH](SCCO)c2ccc(O)cc2)C(=O)N1CC(O)=O;CSCCC(C1=NC(C(=O)N1CC(=O)O)C(c2ccc(cc2)O)SCCO)N","InChI=1S/C18H25N3O5S2/c1-27-8-6-13(19)17-20-15(18(26)21(17)10-14(24)25)16(28-9-7-22)11-2-4-12(23)5-3-11/h2-5,13,15-16,22-23H,6-10,19H2,1H3,(H,24,25)/t13-,15-,16+/m1/s1","","2015-12-22","2019-09-04","{(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2017-01-11"],["MCR","SULFANYLACETIC ACID","C2 H4 O2 S","O=C(O)CS;OC(=O)CS;C(C(=O)O)S","InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)","MERCAPTOACETIC ACID","2003-02-12","2024-09-27","sulfanylacetic acid",""],["MCS","MALONYL CYSTEINE","C6 H9 N O5 S","O=C(O)C(N)CSC(=O)CC(=O)O;N[CH](CSC(=O)CC(O)=O)C(O)=O;C(C(C(=O)O)N)SC(=O)CC(=O)O","InChI=1S/C6H9NO5S/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1","","2007-02-02","2024-09-27","S-(carboxyacetyl)-L-cysteine",""],["MCT","4-METHYLCATECHOL","C7 H8 O2","Oc1ccc(cc1O)C;Cc1ccc(O)c(O)c1;Cc1ccc(c(c1)O)O","InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3","4-METHYL-1,2-BENZENEDIOL","1999-12-17","2024-09-27","4-methylbenzene-1,2-diol",""],["MCU","methyl 4-O-methyl-beta-D-glucopyranuronate","C8 H14 O7","O=C(OC)C1OC(O)C(O)C(O)C1OC;CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(=O)OC;COC1C(C(C(OC1C(=O)OC)O)O)O","InChI=1S/C8H14O7/c1-13-5-3(9)4(10)7(11)15-6(5)8(12)14-2/h3-7,9-11H,1-2H3/t3-,4-,5+,6+,7-/m1/s1","methyl (2S,3S,4R,5R,6R)-3-methoxy-4,5,6-tris(oxidanyl)oxane-2-carboxylate","2012-07-18","2020-07-17","methyl 4-O-methyl-beta-D-glucopyranuronate","2012-12-28"],["MCV","5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine","C16 H18 N4 O2 S","n1c(c2c(nc1N)scc2CCc3cc(OC)ccc3OC)N;COc1ccc(OC)c(CCc2csc3nc(N)nc(N)c23)c1;COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC","InChI=1S/C16H18N4O2S/c1-21-11-5-6-12(22-2)9(7-11)3-4-10-8-23-15-13(10)14(17)19-16(18)20-15/h5-8H,3-4H2,1-2H3,(H4,17,18,19,20)","","2010-04-09","2011-06-04","5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine",""],["MCW","2-methoxycyclohexa-2,5-diene-1,4-dione","C7 H6 O3","O=C1C=CC(=O)C=C1OC;COC1=CC(=O)C=CC1=O;COC1=CC(=O)C=CC1=O","InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3","","2009-06-12","2011-06-04","2-methoxycyclohexa-2,5-diene-1,4-dione",""],["MCX","(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c\narbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide","C30 H51 N5 O5","O=C(N3C(C(=O)NC(CC1CCC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)NC4(C)CCCCC4)C(C)(C)C;CC(C)(C)[CH](NC(=O)NC1(C)CCCCC1)C(=O)N2C[CH]3[CH]([CH]2C(=O)N[CH](CC4CCC4)[CH](O)C(N)=O)C3(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)NC(CC4CCC4)C(C(=O)N)O)C","InChI=1S/C30H51N5O5/c1-28(2,3)23(33-27(40)34-30(6)13-8-7-9-14-30)26(39)35-16-18-20(29(18,4)5)21(35)25(38)32-19(22(36)24(31)37)15-17-11-10-12-17/h17-23,36H,7-16H2,1-6H3,(H2,31,37)(H,32,38)(H2,33,34,40)/t18-,19-,20-,21-,22+,23+/m0/s1","Boceprevir derivative, bound form","2010-02-08","2024-09-27","(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide",""],["MCY","5-METHYL-2'-DEOXYCYTIDINE","C10 H15 N3 O4","O=C1N=C(N)C(=CN1C2OC(C(O)C2)CO)C;CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O","InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1","","2000-06-01","2011-06-04","2'-deoxy-5-methylcytidine",""],["MCZ","(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol","C26 H42 O4","OC3C(=C)C(=C/C=C1CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12)CC(O)C3;C[CH](OCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O","InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1","Maxacalcitol","2011-06-28","2020-06-17","(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol",""],["MD0","5-amino-D-isoleucine","C6 H14 N2 O2","O=C(O)C(N)C(CCN)C;C[CH](CCN)[CH](N)C(O)=O;CC(CCN)C(C(=O)O)N","InChI=1S/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1","","2011-09-06","2011-11-25","5-amino-D-isoleucine",""],["MD1","PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER","C20 H26 N10 O13 P2 S2","O=C2NC(=NC=1N=CC(NC=12)C(/S)=C(/S)C(O)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O)N;NC1=NC2=C(N[CH](C=N2)C(S)=C(S)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N)C(=O)N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(=C(C4C=NC5=C(N4)C(=O)NC(=N5)N)S)S)O)O)O)N=C(NC2=O)N","InChI=1S/C20H26N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4-7,10-11,18,25,31-33,46-47H,2-3H2,(H,36,37)(H,38,39)(H3,21,26,28,34)(H3,22,27,29,35)/b13-12-/t5-,6-,7-,10-,11-,18-/m1/s1","","2003-09-29","2012-01-05","5'-O-[(S)-{[(R)-({(2R,3Z)-4-[(6R)-2-amino-4-oxo-3,4,5,6-tetrahydropteridin-6-yl]-2-hydroxy-3,4-disulfanylbut-3-en-1-yl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["MD2","N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE","C12 H20 N2","C(=CCNCCCCNC/C=C=C)=C;[CH2]=[C]=[CH]CNCCCCNC[CH]=[C]=[CH2];C=C=CCNCCCCNCC=C=C","InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2","MDL72527","1999-08-03","2021-03-01","N,N'-dibuta-2,3-dien-1-ylbutane-1,4-diamine",""],["MD3","N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine","C16 H15 N O5 S","O=C(O)C(=O)NC(C(=O)O)CSCc2ccc1c(cccc1)c2;OC(=O)[CH](CSCc1ccc2ccccc2c1)NC(=O)C(O)=O;c1ccc2cc(ccc2c1)CSCC(C(=O)O)NC(=O)C(=O)O","InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1","","2011-08-11","2012-03-02","N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine",""],["MD4","(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane","C16 H22 N5","n1nn(cc1c2ccncc2)C4CC3CCC([N+]3(C)C)C4;C[N+]1(C)[CH]2CC[CH]1CC(C2)n3cc(nn3)c4ccncc4;C[N+]1(C2CCC1CC(C2)n3cc(nn3)c4ccncc4)C","InChI=1S/C16H22N5/c1-21(2)14-3-4-15(21)10-13(9-14)20-11-16(18-19-20)12-5-7-17-8-6-12/h5-8,11,13-15H,3-4,9-10H2,1-2H3/q+1/t13-,14-,15+","","2014-11-05","2015-04-17","(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane","2015-04-22"],["MD5","N-(carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine","C12 H12 N2 O7 S","O=[N+]([O-])c1cc(ccc1)CSCC(C(=O)O)NC(=O)C(=O)O;OC(=O)[CH](CSCc1cccc(c1)[N+]([O-])=O)NC(=O)C(O)=O;c1cc(cc(c1)[N+](=O)[O-])CSCC(C(=O)O)NC(=O)C(=O)O","InChI=1S/C12H12N2O7S/c15-10(12(18)19)13-9(11(16)17)6-22-5-7-2-1-3-8(4-7)14(20)21/h1-4,9H,5-6H2,(H,13,15)(H,16,17)(H,18,19)/t9-/m0/s1","","2011-08-11","2012-03-02","N-(carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine",""],["MD6","N-[(3-hydroxypyridin-2-yl)carbonyl]glycine","C8 H8 N2 O4","O=C(c1ncccc1O)NCC(=O)O;OC(=O)CNC(=O)c1ncccc1O;c1cc(c(nc1)C(=O)NCC(=O)O)O","InChI=1S/C8H8N2O4/c11-5-2-1-3-9-7(5)8(14)10-4-6(12)13/h1-3,11H,4H2,(H,10,14)(H,12,13)","","2011-08-11","2012-03-02","N-[(3-hydroxypyridin-2-yl)carbonyl]glycine",""],["MD7","(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide","C19 H16 N2 O2","O=C(C(C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3;OC(C1CC1)=C(C#N)C(=O)Nc2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)NC(=O)C(=C(C3CC3)O)C#N","InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-","N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide","2009-02-02","2020-06-17","(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide",""],["MD8","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide","C21 H25 N3 O3","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(O)cc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(cc3)O)N","InChI=1S/C21H25N3O3/c22-18(13-15-5-2-1-3-6-15)21(27)24-12-4-7-19(24)20(26)23-14-16-8-10-17(25)11-9-16/h1-3,5-6,8-11,18-19,25H,4,7,12-14,22H2,(H,23,26)/t18-,19+/m1/s1","","2019-10-11","2020-11-13","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide","2020-11-18"],["MD9","Magnesium deuteroporphyrin IX","C30 H28 Mg N4 O4","O=C(O)CCC=1C2=Cc4c(c(c3C=C5C=C(C=6C=C7C=C(C8=CC(C=1C)=N2[Mg](n34)(N5=6)N78)C)C)C)CCC(=O)O;CC1=CC2=Cc3n4[Mg][N]5C(=CC1=N2)C=C(C)C5=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O","InChI=1S/C30H30N4O4.Mg/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;","","2015-01-29","2015-05-15","[3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]magnesium","2015-05-20"],["MDA","2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose","C7 H14 O4","OC1(C)C(O)C(OC(O)C1)C;C[CH]1O[CH](O)C[C](C)(O)[CH]1O;CC1C(C(CC(O1)O)(C)O)O","InChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1","2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDE; 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexose;\n2,6-dideoxy-3-C-methyl-D-ribo-hexose; 2,6-dideoxy-3-C-methyl-ribo-hexose","1999-07-08","2020-07-17","2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose",""],["MDB","(S)-N-(cyclopentylmethyl)-N-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide","C22 H34 N4 O5","O=C(Nc1ccccc1OC)NC(C(=O)N(CC(=O)NO)CC2CCCC2)C(C)(C)C;COc1ccccc1NC(=O)N[CH](C(=O)N(CC2CCCC2)CC(=O)NO)C(C)(C)C;CC(C)(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC","InChI=1S/C22H34N4O5/c1-22(2,3)19(24-21(29)23-16-11-7-8-12-17(16)31-4)20(28)26(14-18(27)25-30)13-15-9-5-6-10-15/h7-8,11-12,15,19,30H,5-6,9-10,13-14H2,1-4H3,(H,25,27)(H2,23,24,29)/t19-/m1/s1","","2011-10-19","2012-06-22","N-[(2-methoxyphenyl)carbamoyl]-3-methyl-L-valyl-N~2~-(cyclopentylmethyl)-N-hydroxyglycinamide",""],["MDC","N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE","C20 H21 N3 O5","O=C1N(C(=O)CC1)C=C/NC(=O)C2=Cc3c(OC2=O)cc(cc3)N(CC)CC;CCN(CC)c1ccc2C=C(C(=O)NC=CN3C(=O)CCC3=O)C(=O)Oc2c1;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O","InChI=1S/C20H21N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,26)/b10-9-","","1999-07-08","2011-06-04","7-(diethylamino)-N-[(Z)-2-(2,5-dioxopyrrolidin-1-yl)ethenyl]-2-oxo-2H-chromene-3-carboxamide",""],["MDD","MALONALDEHYDE","C3 H4 O2","O=CCC=O;O=CCC=O;C(C=O)C=O","InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2","","2004-07-22","2024-09-27","propanedial",""],["MDE","5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A","C33 H55 N7 O18 P3 S2","O=CCSC(CCCCC)C/C=C/C(=O)SCCNC(=O)CCNC(O)C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O;CCCCC[CH](CC=CC(=O)SCCNC(=O)CCN[CH](O)C(=O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)[n+]2c[nH]c3c(N)ncnc23)SCC=O;CCCCCC(CC=CC(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O","InChI=1S/C33H54N7O18P3S2/c1-4-5-6-8-21(62-16-14-41)9-7-10-24(43)63-15-13-35-23(42)11-12-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h7,10,14,19-22,26-27,31-32,36,44,46H,4-6,8-9,11-13,15-18H2,1-3H3,(H7,34,35,37,38,42,47,48,49,50,51,52,53)/p+1/b10-7+/t21-,22+,26+,27+,31+,32+/m0/s1","","2003-07-10","2011-06-04","6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3R,5S,10R,20E,23S)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3,5-diphosphahexacos-20-en-1-yl]tetrahydrofuran-2-yl}-7H-purin-9-ium (non-preferred name)",""],["MDF","META, META'-DI-HYDROXY-PHENYLALANINE","C9 H11 N O4","O=C(OC)C(c1cc(O)cc(O)c1)N;COC(=O)[CH](N)c1cc(O)cc(O)c1;COC(=O)C(c1cc(cc(c1)O)O)N","InChI=1S/C9H11NO4/c1-14-9(13)8(10)5-2-6(11)4-7(12)3-5/h2-4,8,11-12H,10H2,1H3/t8-/m0/s1","","2002-09-02","2024-09-27","methyl (2S)-amino(3,5-dihydroxyphenyl)ethanoate",""],["MDG","7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE","C11 H19 N5 O11 P2","O=P(O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O;CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1/f/h14,20-21,23H,12H2","","1999-07-08","2008-10-14","7-methylguanosine 5'-(trihydrogen diphosphate)",""],["MDH","N-METHYLDEHYDROBUTYRINE","C5 H9 N O2","O=C(O)C(=C/C)/NC;CNC(=CC)C(O)=O;CC=C(C(=O)O)NC","InChI=1S/C5H9NO2/c1-3-4(6-2)5(7)8/h3,6H,1-2H3,(H,7,8)/b4-3-","","1999-07-08","2024-09-27","(2Z)-2-(methylamino)but-2-enoic acid",""],["MDI","3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide","C27 H26 F2 N4 O","CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F;Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c(n[nH]c5c4)C","InChI=1S/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1","","2022-07-27","2023-09-23","3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide","2022-08-31"],["MDJ","4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one","C11 H17 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)CO)CC2O;NC1=C(CO)C(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c12-7-1-2-13(11(16)6(7)4-14)10-3-8(15)9(21-10)5-20-22(17,18)19/h1-2,8-10,14-15H,3-5,12H2,(H2,17,18,19)/t8-,9+,10+/m0/s1","","2010-07-23","2011-06-04","4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one",""],["MDK","4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one","C11 H17 N2 O7 P","O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)C)CC2O;CC1=C(N)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O;CC1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O)O)N","InChI=1S/C11H17N2O7P/c1-6-7(12)2-3-13(11(6)15)10-4-8(14)9(20-10)5-19-21(16,17)18/h2-3,8-10,14H,4-5,12H2,1H3,(H2,16,17,18)/t8-,9+,10+/m0/s1","","2010-07-23","2011-06-04","4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one",""],["MDL","[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE","C28 H29 F5 N4 O3","O=C(NC(C(=O)C(F)(F)C(F)(F)F)Cc2c1ccccc1nc2)C4N(C(=O)C(NC)Cc3ccccc3)CCC4;CN[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](Cc3c[nH]c4ccccc34)C(=O)C(F)(F)C(F)(F)F;CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F","InChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1","","1999-07-08","2024-09-27","N-methyl-D-phenylalanyl-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-L-prolinamide",""],["MDN","METHYLENEDIPHOSPHONIC ACID","C H6 O6 P2","O=P(O)(O)CP(=O)(O)O;O[P](O)(=O)C[P](O)(O)=O;C(P(=O)(O)O)P(=O)(O)O","InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)","","2001-01-16","2011-06-04","methanediylbis(phosphonic acid)",""],["MDO","{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C8 H11 N3 O3","O=C1C(N=C(N1CC(=O)O)C(N)C)=C;C[CH](N)C1=NC(=C)C(=O)N1CC(O)=O;CC(C1=NC(=C)C(=O)N1CC(=O)O)N","InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1","4-METHYLIDENE-5-ONE; PEPTIDE DERIVED CHROMOPHORE","2001-08-15","2024-09-27","{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["MDP","N-carboxyl-N-methyl-beta-muramic acid","C11 H19 N O9","O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1N(C)C(O)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N(C)C(=O)O","InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1","N-CARBOXY-N-METHYL-MURAMIC ACID","1999-07-08","2024-09-27","3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose",""],["MDQ","2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)","C10 H16 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)[N+](=C(N)C=C1)C[O-])CC2O;NC1=[N+](C[O-])C(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O","InChI=1S/C10H15N3O8P/c11-8-1-2-12(10(16)13(8)5-14)9-3-6(15)7(21-9)4-20-22(17,18)19/h1-2,6-7,9,11,15H,3-5H2,(H2,17,18,19)/q-1/p+1/t6-,7+,9+/m0/s1","","2010-07-23","2011-06-04","2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)",""],["MDR","9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE","C11 H14 N4 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)C;Cc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;Cc1c2c(ncn1)n(cn2)C3CC(C(O3)CO)O","InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1","","2003-04-04","2011-06-04","9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-9H-purine",""],["MDS","N-[METHIONYL]-N'-[ADENOSYL]-DIAMINOSULFONE","C15 H24 N8 O6 S2","O=C(NS(=O)(=O)NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCSC;CSCC[CH](N)C(=O)N[S](=O)(=O)NCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;CSCCC(C(=O)NS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C15H24N8O6S2/c1-30-3-2-7(16)14(26)22-31(27,28)21-4-8-10(24)11(25)15(29-8)23-6-20-9-12(17)18-5-19-13(9)23/h5-8,10-11,15,21,24-25H,2-4,16H2,1H3,(H,22,26)(H2,17,18,19)/t7-,8?,10?,11?,15?/m0/s1","","2003-09-08","2013-06-21","(2S)-2-amino-N-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfamoyl)-4-(methylsulfanyl)butanamide (non-preferred name)","2013-06-26"],["MDU","3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)","C11 H17 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C(=C1)C)CO)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N(CO)C1=O;CC1=CN(C(=O)N(C1=O)CO)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H17N2O9P/c1-6-3-12(11(17)13(5-14)10(6)16)9-2-7(15)8(22-9)4-21-23(18,19)20/h3,7-9,14-15H,2,4-5H2,1H3,(H2,18,19,20)/t7-,8+,9+/m0/s1","","2010-07-23","2011-06-04","3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)",""],["MDV","(7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol","C12 H16 N5 O8 P","O=P(O)(O)OCC4OC(n3cnc2c3N=CN1C2=NC(O)C1O)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2N=CN4[CH](O)[CH](O)N=C34;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CN4C2=NC(C4O)O","InChI=1S/C12H16N5O8P/c18-5-1-7(25-6(5)2-24-26(21,22)23)16-3-13-8-9(16)14-4-17-10(8)15-11(19)12(17)20/h3-7,11-12,18-20H,1-2H2,(H2,21,22,23)/t5-,6+,7+,11-,12-/m0/s1","","2010-07-23","2011-06-04","(7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol",""],["MDW","(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE","C18 H20 N2 O7 S","O=S(=O)(c1ccc(OC)cc1)N3C(c2c(cc(O)c(OC)c2)CC3)C(=O)NO;COc1ccc(cc1)[S](=O)(=O)N2CCc3cc(O)c(OC)cc3[CH]2C(=O)NO;COc1ccc(cc1)S(=O)(=O)N2CCc3cc(c(cc3C2C(=O)NO)OC)O","InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1","6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE","2006-02-09","2020-06-17","(1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide",""],["MDX","11-MERCAPTOUNDECANOIC ACID","C11 H22 O2 S","O=C(O)CCCCCCCCCCS;OC(=O)CCCCCCCCCCS;C(CCCCCS)CCCCC(=O)O","InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)","","2007-07-26","2024-09-27","11-sulfanylundecanoic acid",""],["MDY","(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide","C18 H15 Cl N2 O3","Clc1cc(ccc1NC(=O)C(/C#N)=C(O)C)c2ccccc2OC;COc1ccccc1c2ccc(NC(=O)C(C#N)=C(C)O)c(Cl)c2;CC(=C(C#N)C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)O","InChI=1S/C18H15ClN2O3/c1-11(22)14(10-20)18(23)21-16-8-7-12(9-15(16)19)13-5-3-4-6-17(13)24-2/h3-9,22H,1-2H3,(H,21,23)/b14-11-","","2009-01-29","2011-06-04","(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide",""],["MDZ","N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID","C15 H26 N2 O7 S","O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)C(S)C;CC(C)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)[CH](C)S)C(O)=O;CC(C)C(C(=O)O)OC(=O)C(C(C)S)NC(=O)CCCC(C(=O)O)N","InChI=1S/C15H26N2O7S/c1-7(2)12(14(21)22)24-15(23)11(8(3)25)17-10(18)6-4-5-9(16)13(19)20/h7-9,11-12,25H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)/t8-,9+,11+,12-/m1/s1","","2004-07-20","2011-06-04","N~6~-[(1R,2R)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine",""],["ME0","hydroxy-L-methionine","C5 H11 N O3 S","O=C(O)C(N)CCSCO;N[CH](CCSCO)C(O)=O;C(CSCO)C(C(=O)O)N","InChI=1S/C5H11NO3S/c6-4(5(8)9)1-2-10-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1","","2010-07-19","2024-09-27","hydroxy-L-methionine",""],["ME1","5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE","C19 H16 Cl N3 O3 S","O=C(NCCNC(=O)c2ccc(N1C=CC=CC1=O)cc2)c3sc(Cl)cc3;Clc1sc(cc1)C(=O)NCCNC(=O)c2ccc(cc2)N3C=CC=CC3=O;c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O","InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)","","2007-04-10","2011-06-04","5-chloro-N-[2-({[4-(2-oxopyridin-1(2H)-yl)phenyl]carbonyl}amino)ethyl]thiophene-2-carboxamide",""],["ME2","1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE","C7 H16 O3","O(CCOCCOCC)C;CCOCCOCCOC;CCOCCOCCOC","InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3","","2003-06-06","2011-06-04","1-ethoxy-2-(2-methoxyethoxy)ethane",""],["ME3","RUTHENIUM-PYRIDOCARBAZOLE-3","C26 H18 N3 O6 Ru","CCOC(=O)C1CCCC1.Oc2ccc3n([Ru])c4c5ncccc5c6C(=O)NC(=O)c6c4c3c2.C#[O];CCOC(=O)C12C3[Ru]1456(C3C4C52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O","InChI=1S/C17H9N3O3.C8H9O2.CHO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-10-8(9)7-5-3-4-6-7;1-2;/h1-6H,(H3,18,19,20,21,22,23);3-6H,2H2,1H3;1H;/q;;;+1/p-1","","2005-08-18","2023-09-23","",""],["ME4","3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE","C27 H25 Cl N4 O3","O=C1C=CC=CN1c2ccc(cc2)C(=O)NC5CCCCC5NC(=O)c3ccc4c(c3)ncc4Cl;Clc1c[nH]c2cc(ccc12)C(=O)N[CH]3CCCC[CH]3NC(=O)c4ccc(cc4)N5C=CC=CC5=O;c1cc(ccc1C(=O)NC2CCCCC2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O","InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1","","2007-04-10","2011-06-04","3-chloro-N-[(1R,2S)-2-({[4-(2-oxopyridin-1(2H)-yl)phenyl]carbonyl}amino)cyclohexyl]-1H-indole-6-carboxamide",""],["ME5","5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE","C22 H20 Cl N3 O3 S","O=C(NC3CCCC3NC(=O)c2ccc(N1C=CC=CC1=O)cc2)c4sc(Cl)cc4;Clc1sc(cc1)C(=O)N[CH]2CCC[CH]2NC(=O)c3ccc(cc3)N4C=CC=CC4=O;c1cc(ccc1C(=O)NC2CCCC2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O","InChI=1S/C22H20ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h1-2,6-13,16-17H,3-5H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1","","2007-04-10","2011-06-04","5-chloro-N-[(1R,2S)-2-({[4-(2-oxopyridin-1(2H)-yl)phenyl]carbonyl}amino)cyclopentyl]thiophene-2-carboxamide",""],["ME6","[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate","C10 H17 N3 O7 P","C[N+]1=C(N)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O;C[N+]1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O)O)N","InChI=1S/C10H16N3O7P/c1-12-8(11)2-3-13(10(12)15)9-4-6(14)7(20-9)5-19-21(16,17)18/h2-3,6-7,9,11,14H,4-5H2,1H3,(H2,16,17,18)/p+1/t6-,7+,9+/m0/s1","","2009-05-21","2011-06-04","[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",""],["ME7","1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)","C10 H8 N2 O4","O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O;O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O;C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O","InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2","","2011-03-04","2024-09-27","1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)",""],["ME8","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]\n(2S)-2-azanyl-4-methylsulfanyl-butanoate","C15 H23 N6 O8 P S","O=P(OC(=O)C(N)CCSC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CSCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CSCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(24)29-30(25,26)27-4-8-10(22)11(23)14(28-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1","L-methionine-AMP; methionyl-adenylate","2009-10-30","2020-06-17","5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["ME9","1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)","C12 H12 N2 O4","O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O;O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O;C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O","InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2","","2011-03-04","2024-09-27","1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)",""],["MEA","N-METHYLPHENYLALANINE","C10 H13 N O2","O=C(O)C(NC)Cc1ccccc1;CN[CH](Cc1ccccc1)C(O)=O;CNC(Cc1ccccc1)C(=O)O","InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1","","2002-06-19","2024-09-27","N-methyl-L-phenylalanine",""],["MEB","2-methylprop-1-ene","C4 H8","C=C(C)C;CC(C)=C;CC(=C)C","InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3","","1999-07-08","2011-09-28","2-methylprop-1-ene",""],["MEC","ETHYL-CARBAMIC ACID METHYL ESTER","C4 H9 N O2","O=C(OC)NCC;CCNC(=O)OC;CCNC(=O)OC","InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","","1999-10-22","2011-06-04","methyl ethylcarbamate",""],["MED","D-METHIONINE","C5 H11 N O2 S","O=C(O)C(N)CCSC;CSCC[CH](N)C(O)=O;CSCCC(C(=O)O)N","InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1","","2002-01-18","2023-11-03","D-methionine",""],["MEE","METHANETHIOL","C H4 S","SC;CS;CS","InChI=1S/CH4S/c1-2/h2H,1H3","","1999-07-08","2024-09-27","methanethiol",""],["MEF","N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid","C20 H23 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C=2C(=O)NC(=NC=2NC3)N)C4)CCC(=O)O;NC1=NC2=C(N3CN(C[CH]3CN2)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C(N3C2)C(=O)NC(=N4)N","InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1","5,10-methylene,5,6,7,8-tetrahydrofolate","2007-12-05","2021-03-13","N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid",""],["MEG","(2S,3S)-2-azanyl-3-methyl-pentanedioic acid","C6 H11 N O4","O=C(O)C(N)C(CC(=O)O)C;C[CH](CC(O)=O)[CH](N)C(O)=O;CC(CC(=O)O)C(C(=O)O)N","InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1","(3S)-3-methyl-L-glutamic acid","2004-05-16","2024-09-27","(3S)-3-methyl-L-glutamic acid",""],["MEI","(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID","C16 H28 O3","O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C;COC(C)(C)CCC[CH](C)CC=CC(C)=CC(O)=O;CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C","InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1","METOPRENIC ACID","2003-08-26","2021-03-01","(2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid",""],["MEJ","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide","C19 H19 N3 O2","O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3;C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3;CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1","","2012-09-19","2013-06-14","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide","2013-06-19"],["MEK","3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide","C18 H18 F3 I N2 O5","O=C(NOCCO)c1c(c(F)c(F)c(c1)COCCO)Nc2ccc(I)cc2F;OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F;c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO","InChI=1S/C18H18F3IN2O5/c19-13-8-11(22)1-2-14(13)23-17-12(18(27)24-29-6-4-26)7-10(9-28-5-3-25)15(20)16(17)21/h1-2,7-8,23,25-26H,3-6,9H2,(H,24,27)","","2008-07-22","2011-06-04","3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide",""],["MEL","[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID","C22 H31 N5 O4","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3;NC(=N)c1ccc(CNC(=O)[CH]2CCN2C(=O)[CH](NCC(O)=O)C3CCCCC3)cc1;c1cc(ccc1CNC(=O)C2CCN2C(=O)C(C3CCCCC3)NCC(=O)O)C(=N)N","InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1","MELAGATRAN (ASTRA-ZENECA)","2001-10-23","2020-06-17","N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine",""],["MEM","(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","C17 H25 N3 O5 S","O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3;C[CH](O)[CH]1[CH]2[CH](C)C(=C(N2C1=O)C(O)=O)S[CH]3CN[CH](C3)C(=O)N(C)C;CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O","InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1","Meropenem (closed form)","2012-04-30","2021-03-01","(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid",""],["MEN","N-METHYL ASPARAGINE","C5 H10 N2 O3","O=C(NC)CC(N)C(=O)O;CNC(=O)C[CH](N)C(O)=O;CNC(=O)CC(C(=O)O)N","InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1","","1999-07-08","2024-09-27","N-methyl-L-asparagine",""],["MEO","OXYGENS BOUND TO MET SD","O2","O.O;O.O","InChI=1/2H2O/h2*1H2","","1999-07-08","2008-10-14","oxidane",""],["MEP","PHOSPHORIC ACID MONO-[4-METHOXY-3-METHYL-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER","C12 H19 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(C2OC)C)COP(=O)(O)O;CO[CH]1[CH](C)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1C(OC(C1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O","InChI=1/C12H19N2O8P/c1-6-4-14(12(16)13-10(6)15)11-9(20-3)7(2)8(22-11)5-21-23(17,18)19/h4,7-9,11H,5H2,1-3H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1/f/h13,17-18H","","2001-02-09","2009-01-07","3'-deoxy-3',5-dimethyl-2'-O-methyluridine 5'-(dihydrogen phosphate)",""],["MEQ","N5-METHYLGLUTAMINE","C6 H12 N2 O3","O=C(O)C(N)CCC(=O)NC;CNC(=O)CC[CH](N)C(O)=O;CNC(=O)CCC(C(=O)O)N","InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1","","2003-02-14","2024-09-27","N-methyl-L-glutamine",""],["MER","(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d\nihydro-1H-pyrrole-2-carboxylic acid","C17 H27 N3 O5 S","O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(N2)C(C=O)C(O)C)C;C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O;CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C(C=O)C(C)O","InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-/m1/s1","Meropenem, bound form","2001-02-17","2024-09-27","(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",""],["MES","2-(N-MORPHOLINO)-ETHANESULFONIC ACID","C6 H13 N O4 S","[O-]S(=O)(=O)CC[NH+]1CCOCC1;[O-][S](=O)(=O)CC[NH+]1CCOCC1;C1COCC[NH+]1CCS(=O)(=O)[O-]","InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)","","1999-07-08","2024-09-27","2-morpholin-4-ium-4-ylethanesulfonate",""],["MET","METHIONINE","C5 H11 N O2 S","O=C(O)C(N)CCSC;CSCC[CH](N)C(O)=O;CSCCC(C(=O)O)N","InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","L-methionine",""],["MEU","O-METHYL-GLYCINE","C3 H7 N O2","O=C(OC)CN;COC(=O)CN;COC(=O)CN","InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","","2004-03-26","2024-09-27","methyl glycinate",""],["MEV","(R)-MEVALONATE","C6 H11 O4","O=C([O-])CC(O)(C)CCO;C[C](O)(CCO)CC([O-])=O;CC(CCO)(CC(=O)[O-])O","InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1","","1999-07-08","2011-06-04","(3R)-3,5-dihydroxy-3-methylpentanoate",""],["MEW","2-methylquinazolin-4(3H)-one","C9 H8 N2 O","O=C1c2ccccc2N=C(N1)C;CC1=Nc2ccccc2C(=O)N1;CC1=Nc2ccccc2C(=O)N1","InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)","","2012-09-19","2013-06-14","2-methylquinazolin-4(3H)-one","2013-06-19"],["MEX","1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one","C13 H10 N2 O3","O=C2Nc1ccccc1N2c3ccc(O)cc3O;Oc1ccc(N2C(=O)Nc3ccccc23)c(O)c1;c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O","InChI=1S/C13H10N2O3/c16-8-5-6-11(12(17)7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)","","2010-09-20","2011-09-16","1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one",""],["MEY","N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide","C24 H18 Cl N3 O5 S","O=S(=O)(c2c1ccccc1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c(O)cc5O;Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23;c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl","InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)","","2010-09-21","2011-09-16","N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide",""],["MEZ","(2E)-2-METHYLBUT-2-ENEDIOIC ACID","C5 H6 O4","O=C(O)C=C(C(=O)O)C;CC(=CC(O)=O)C(O)=O;CC(=CC(=O)O)C(=O)O","InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+","MESACONIC ACID; MESACONATE","2004-11-18","2024-09-27","(2E)-2-methylbut-2-enedioic acid",""],["MF0","(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide","C14 H14 Cl N3 O","O=C(Nc1cnccc1C)C(C)c1cc(Cl)cnc1;C[CH](C(=O)Nc1cnccc1C)c2cncc(Cl)c2;Cc1ccncc1NC(=O)C(C)c2cc(cnc2)Cl","InChI=1S/C14H14ClN3O/c1-9-3-4-16-8-13(9)18-14(19)10(2)11-5-12(15)7-17-6-11/h3-8,10H,1-2H3,(H,18,19)/t10-/m1/s1","","2023-08-15","2023-11-03","(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["MF1","[(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid","C29 H47 O4 P","CCCCCCCCCCCCCCCCCCOC(P(O)(O)=O)c1cccc2c1cccc2;CCCCCCCCCCCCCCCCCCO[CH](c1cccc2ccccc12)[P](O)(O)=O;CCCCCCCCCCCCCCCCCCOC(c1cccc2c1cccc2)P(=O)(O)O","InChI=1S/C29H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-33-29(34(30,31)32)28-24-20-22-26-21-17-18-23-27(26)28/h17-18,20-24,29H,2-16,19,25H2,1H3,(H2,30,31,32)/t29-/m0/s1","","2019-03-29","2019-08-30","[(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid","2019-09-04"],["MF2","CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE","C15 H30 N2 O2","O=CNCCCCCCCCN1CC(OC(C)C1)C;C[CH]1CN(CCCCCCCCNC=O)C[CH](C)O1;CC1CN(CC(O1)C)CCCCCCCCNC=O","InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+","MF268","1999-07-08","2024-09-27","N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide",""],["MF3","2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID","C5 H8 F3 N O2 S","FC(F)(F)SCCC(N)C(=O)O;N[CH](CCSC(F)(F)F)C(O)=O;C(CSC(F)(F)F)C(C(=O)O)N","InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1","TRIFLUOROMETHIONINE","1999-07-27","2020-06-17","trifluoro-L-methionine",""],["MF4","TETRAFLUOROMAGNESATE(2-)","F4 Mg","F[Mg-2](F)(F)F;F[Mg--](F)(F)F;F[Mg-2](F)(F)F","InChI=1S/4FH.Mg/h4*1H;/q;;;;+2/p-4","MAGNESIUMTETRAFLUORIDE","2004-09-05","2021-03-01","tetrafluoromagnesate(2-)",""],["MF5","1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine","C14 H10 F5 N2 O","Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C;C[n+]1ccccc1C=NOCc2c(F)c(F)c(F)c(F)c2F;C[n+]1ccccc1C=NOCc2c(c(c(c(c2F)F)F)F)F","InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+","methyl2-(pentafluorobenzyloxyimino)pyridinium","2012-07-04","2021-03-01","1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium","2012-08-24"],["MF6","(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione","C15 H21 N5 O13 P2","Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC1C2O)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH](O[CH]3[CH]4O)[CH](O)[CH]5O;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(OP(=O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N","InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11-9(22)6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)10(23)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","1'-2' gcADPR","2022-03-16","2022-09-30","(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione","2022-10-05"],["MF7","N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","C11 H18 N5 O8 P","O=CN(c1c(nc(nc1O)N)NC2OC(C(O)C2)COP(=O)(O)O)C;CN(C=O)c1c(O)nc(N)nc1N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CN(C=O)c1c(nc(nc1O)N)NC2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H18N5O8P/c1-16(4-17)8-9(14-11(12)15-10(8)19)13-7-2-5(18)6(24-7)3-23-25(20,21)22/h4-7,18H,2-3H2,1H3,(H2,20,21,22)(H4,12,13,14,15,19)/t5-,6+,7+/m0/s1","","2014-11-26","2015-07-31","N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","2015-08-05"],["MF8","Metformin","C4 H11 N5","CN(C)C(=N)NC(N)=N;CN(C)C(=N)NC(=N)N","InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)","N,N-Dimethylimidodicarbonimidic diamide","2016-05-25","2020-06-17","3-carbamimidoyl-1,1-dimethyl-guanidine","2017-06-07"],["MF9","(3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid","C10 H11 Cl O2 S","Clc1ccc(SC(C)CC(=O)O)cc1;C[CH](CC(O)=O)Sc1ccc(Cl)cc1;CC(CC(=O)O)Sc1ccc(cc1)Cl","InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1","","2023-05-05","2023-06-09","(3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid","2023-06-14"],["MFA","ALPHA-L-1-METHYL-FUCOSE","C7 H14 O5","OC1C(O)C(O)C(OC1OC)C;CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC)O)O)O","InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1","","2002-02-08","2008-10-14","methyl 6-deoxy-alpha-L-galactopyranoside",""],["MFB","methyl beta-L-fucopyranoside","C7 H14 O5","OC1C(O)C(O)C(OC1OC)C;CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC)O)O)O","InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1","BETA-L-METHYL-FUCOSE; methyl 6-deoxy-beta-L-galactopyranoside; methyl beta-L-fucoside; methyl L-fucoside; methyl\nfucoside","1999-07-08","2020-07-17","methyl 6-deoxy-beta-L-galactopyranoside",""],["MFC","5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE","C15 H16 F N3 O5","Fc1c(O)ccc(c1)C=C2/N=C(N(C2=O)CC(=O)O)C(N)C(O)C;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(F)c2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(c(c2)F)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16FN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1","","2004-01-05","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["MFD","(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID","C20 H29 N O3","O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C;CO[CH](Cc1ccccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)=O;CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc1)OC","InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16+,18+,19-/m1/s1","","1999-08-05","2024-09-27","(2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",""],["MFE","~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine","C15 H12 Cl N3","Clc1ccc(CNc2ncnc3ccccc23)cc1;c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl","InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19)","","2019-10-12","2019-12-27","~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine","2020-01-01"],["MFF","methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate","C29 H48 N2 O5","COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC;CC=CC1C(C(CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CC(CC(=O)OC)N)O)N)O)C","InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25+,26-,27+,28+/m1/s1","","2022-12-23","2023-10-20","methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate","2023-10-25"],["MFG","(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE","C11 H12 F N","Fc1ccc(cc1)CCC(=C)/C=[N@H];Fc1ccc(CCC(=C)C=N)cc1;[H]N=CC(=C)CCc1ccc(cc1)F","InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+","","2008-07-29","2011-06-04","(1E)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine",""],["MFH","[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid","C10 H14 N2 O3","N[CH](CNC(O)=O)Cc1ccc(O)cc1;c1cc(ccc1CC(CNC(=O)O)N)O","InChI=1S/C10H14N2O3/c11-8(6-12-10(14)15)5-7-1-3-9(13)4-2-7/h1-4,8,12-13H,5-6,11H2,(H,14,15)/t8-/m0/s1","","2019-10-12","2024-09-27","[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid","2021-02-17"],["MFJ","[(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid","C23 H29 O4 P","c1ccc2c(cccc2c1)C(OCC=[C@H]/C=CCC/C=CCCC)P(=O)(O)O;CCCC=CCCC=CC=CCO[CH](c1cccc2ccccc12)[P](O)(O)=O;CCCC=CCCC=CC=CCOC(c1cccc2c1cccc2)P(=O)(O)O","InChI=1S/C23H29O4P/c1-2-3-4-5-6-7-8-9-10-13-19-27-23(28(24,25)26)22-18-14-16-20-15-11-12-17-21(20)22/h4-5,8-18,23H,2-3,6-7,19H2,1H3,(H2,24,25,26)/b5-4-,9-8-,13-10+/t23-/m1/s1","","2019-03-29","2019-08-30","[(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid","2019-09-04"],["MFK","decanoyl-CoA","C31 H54 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCC;CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1","","2013-09-02","2014-08-29","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} decanethioate (non-preferred name)","2014-09-03"],["MFL","tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C25 H37 N5 O7","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C)C)C3=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O","InChI=1S/C25H37N5O7/c1-25(2,3)37-24(36)29-16-6-5-11-30(23(16)35)18(12-14-7-8-14)21(33)28-17(19(31)22(34)26-4)13-15-9-10-27-20(15)32/h5-6,11,14-15,17-19,31H,7-10,12-13H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,29,36)/t15-,17-,18-,19+/m0/s1","tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(methylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate; MG-100 inhibitor (covalently bound to protein)","2022-07-27","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2023-08-16"],["MFM","(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID","C17 H12 Cl N O4 S2","S=C1S/C(C(=O)N1CCC(=O)O)=C/c3oc(c2ccc(Cl)cc2)cc3;OC(=O)CCN1C(=S)SC(=Cc2oc(cc2)c3ccc(Cl)cc3)C1=O;c1cc(ccc1c2ccc(o2)C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl","InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9+","","2005-06-15","2011-09-26","3-[(5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid",""],["MFN","N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE","C35 H44 N4 O16","O=C(O)C(CCC(=O)O)C(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NCCc2ccc(OCc1cc(oc1)CNC=O)cc2;OC(=O)CCC([CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)NCCc1ccc(OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O)=O)C(O)=O)C(O)=O;c1cc(ccc1CCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O","InChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t24?,25?,26-,27+/m1/s1","","2006-02-20","2011-06-04","N-[(4R)-4,5,7-tricarboxyheptanoyl]-L-gamma-glutamyl-N-{2-[4-({5-[(formylamino)methyl]furan-3-yl}methoxy)phenyl]ethyl}-D-glutamine",""],["MFO","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C22 H23 N6 O8 P","CC(=O)N(c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5;CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3C5CC(C(O5)COP(=O)(O)O)O)NC(=NC4=O)N","InChI=1S/C22H23N6O8P/c1-11(29)27(14-7-6-12-4-2-3-5-13(12)8-14)22-24-18-19(25-21(23)26-20(18)31)28(22)17-9-15(30)16(36-17)10-35-37(32,33)34/h2-8,15-17,30H,9-10H2,1H3,(H2,32,33,34)(H3,23,25,26,31)/t15-,16+,17+/m0/s1","","2016-04-06","2019-05-07","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2016-06-01"],["MFP","((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE","C24 H27 Br N6 O2","Brc1cc(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C;CN(C)C[CH](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1;Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OCC(CN(C)C)O","InChI=1S/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m1/s1","","2002-06-11","2011-06-04","[(2-bromo-4-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile",""],["MFQ","((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE","C24 H27 Br N6 O2","Brc1cc(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C;CN(C)C[CH](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1;Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OCC(CN(C)C)O","InChI=1S/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m0/s1","","2002-06-11","2011-06-04","[(2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile",""],["MFR","4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","C12 H11 N5 O","n1ccc(OC)c2c1ncc2c3nc(ncc3)N;COc1ccnc2[nH]cc(c3ccnc(N)n3)c12;COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N","InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)","","2007-12-04","2011-06-04","4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",""],["MFT","3-methylthymidine 5'-(dihydrogen phosphate)","C11 H17 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C(=C1)C)C)CC2O;CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CC1=CN(C(=O)N(C1=O)C)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c1-6-4-13(11(16)12(2)10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,3,5H2,1-2H3,(H2,17,18,19)/t7-,8+,9+/m0/s1","","2010-07-23","2011-06-04","3-methylthymidine 5'-(dihydrogen phosphate)",""],["MFU","methyl alpha-L-fucopyranoside","C7 H14 O5","OC1C(O)C(O)C(OC1OC)C;CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC)O)O)O","InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1","ALPHA-L-METHYL-FUCOSE; methyl 6-deoxy-alpha-L-galactopyranoside; methyl alpha-L-fucoside; methyl L-fucoside; methyl\nfucoside","1999-07-08","2020-07-17","methyl 6-deoxy-alpha-L-galactopyranoside",""],["MFV","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C16 H19 N3 O5","NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(C)c(cc2)O;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(C)c2)C(=O)N1CC(O)=O;Cc1cc(ccc1O)C=C2C(=O)N(C(=N2)C(C(C)O)N)CC(=O)O","InChI=1S/C16H19N3O5/c1-8-5-10(3-4-12(8)21)6-11-16(24)19(7-13(22)23)15(18-11)14(17)9(2)20/h3-6,9,14,20-21H,7,17H2,1-2H3,(H,22,23)/b11-6-/t9-,14+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2019-04-02","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-07-10"],["MFW","cyclopentanone","C5 H8 O","O=C1CCCC1;O=C1CCCC1;C1CCC(=O)C1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2","","2013-02-13","2014-01-17","cyclopentanone","2014-01-22"],["MFX","1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C21 H24 F N3 O4","Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5;COc1c(N2C[CH]3CCCN[CH]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(O)=O;COc1c2c(cc(c1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O","InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1","moxifloxacin","2009-01-15","2021-03-01","1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",""],["MFY","2-[(4-chlorobenzyl)amino]ethanesulfonic acid","C9 H12 Cl N O3 S","Clc1ccc(cc1)CNCCS(=O)(=O)O;O[S](=O)(=O)CCNCc1ccc(Cl)cc1;c1cc(ccc1CNCCS(=O)(=O)O)Cl","InChI=1S/C9H12ClNO3S/c10-9-3-1-8(2-4-9)7-11-5-6-15(12,13)14/h1-4,11H,5-7H2,(H,12,13,14)","","2012-06-29","2012-10-26","2-[(4-chlorobenzyl)amino]ethanesulfonic acid","2012-10-26"],["MFZ","3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol","C11 H7 Cl2 N O","OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12;c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl","InChI=1S/C11H7Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,5H2","","2015-11-30","2015-12-18","3-[4,7-bis(chloranyl)-1H-indol-3-yl]prop-2-yn-1-ol","2015-12-23"],["MG","MAGNESIUM ION","Mg","[Mg+2];[Mg++];[Mg+2]","InChI=1S/Mg/q+2","","1999-07-08","2011-06-04","magnesium",""],["MG0","2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol","C18 H18 F6 N4 O3 S","O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3;Nc1ccc(cn1)[S](=O)(=O)N2CCN(CC2)c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F;c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N","InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)","AMG-5980","2013-10-02","2021-03-01","2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol","2014-05-07"],["MG1","2'-DEOXY-1-METHYLGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)","C11 H16 N5 O7 P","O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3)COP(=O)(O)O;CN1C(=Nc2n(cnc2C1=O)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N;CN1C(=O)c2c(n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N=C1N","InChI=1S/C11H16N5O7P/c1-15-10(18)8-9(14-11(15)12)16(4-13-8)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,12,14)(H2,19,20,21)/t5-,6+,7+/m0/s1","","2007-03-07","2011-06-04","2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate)",""],["MG2","(2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide","C16 H18 F3 N3 O3 S","O=C(NC1(C=[N@H])CC1)C3NCC(S(=O)(=O)c2ccccc2C(F)(F)F)C3;FC(F)(F)c1ccccc1[S](=O)(=O)[CH]2CN[CH](C2)C(=O)NC3(CC3)C=N;c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C2CC(NC2)C(=O)NC3(CC3)C=N","InChI=1S/C16H18F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,9-10,12,20-21H,5-8H2,(H,22,23)/b20-9+/t10-,12+/m1/s1","","2013-06-07","2024-09-27","(4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-4-{[2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide","2013-11-27"],["MG3","(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione","C36 H44 Cl2 N8 O3 S","Clc1ccc(Cl)c2CNC(=O)C(Cc3c[NH]c4ccccc43)N(C)C(=O)C(CCCCN)NC(=O)C(NCc3cccnc3Sc12)CCCN;CN1[CH](Cc2c[nH]c3ccccc23)C(=O)NCc4c(Cl)ccc(Cl)c4Sc5ncccc5CN[CH](CCCN)C(=O)N[CH](CCCCN)C1=O;CN1C(C(=O)NCc2c(ccc(c2Sc3c(cccn3)CNC(C(=O)NC(C1=O)CCCCN)CCCN)Cl)Cl)Cc4c[nH]c5c4cccc5","InChI=1S/C36H44Cl2N8O3S/c1-46-31(18-23-20-42-28-10-3-2-9-24(23)28)34(48)44-21-25-26(37)13-14-27(38)32(25)50-35-22(8-7-17-41-35)19-43-29(12-6-16-40)33(47)45-30(36(46)49)11-4-5-15-39/h2-3,7-10,13-14,17,20,29-31,42-43H,4-6,11-12,15-16,18-19,21,39-40H2,1H3,(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1","","2023-01-09","2023-12-29","(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione","2024-01-03"],["MG5","2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose","C15 H25 N O11 S","O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N;CCC(=O)O[CH]1[CH](O)O[CH](CO[S](N)(=O)=O)[CH](OC(=O)CC)[CH]1OC(=O)CC;CCC(=O)OC1C(OC(C(C1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N","InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1","2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose; 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-D-glucose;\n2,3,4-tri-O-propanoyl-6-O-sulfamoyl-glucose","2011-08-30","2020-07-17","2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose",""],["MG7","7-METHYLGUANOSINE","C11 H16 N5 O5","O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO)C;C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O","InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","7-methylguanosine",""],["MG8","N-OCTANOYL-N-METHYLGLUCAMINE","C15 H31 N O6","O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC;CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO;CCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O","InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3","MEGA 8; N-(D-GLUCITYL)-N-METHYLOCTANAMIDE","2003-08-26","2020-05-27","1-deoxy-1-[methyl(octanoyl)amino]hexitol",""],["MG9","2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol","C21 H20 F6 N4 O3 S","O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3;CC#C[CH]1CN(CCN1c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3;CC#CC1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N","InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1","AMG-3969","2013-10-02","2020-06-17","2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol","2014-05-07"],["MGA","BETA-METHYL-D-GALACTOSIDE","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1","","1999-07-08","2008-10-14","methyl beta-D-galactopyranoside",""],["MGB","METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)","C5 H12 N8","N(/NC(=[N@H])N)=CC(=NNC(=[N@H])N)C;CC(C=NNC(N)=N)=NNC(N)=N;[H]N=C(N)NN=CC(=NNC(=N)N)C","InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+","","2001-03-14","2011-06-04","(2E,2'E)-2,2'-(1E,2E)-propane-1,2-diylidenedihydrazinecarboximidamide",""],["MGC","methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside","C9 H17 N O6","O=C(NC1C(O)C(O)C(OC1OC)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1OC)CO)O)O","InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1","ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE; methyl 2-acetamido-2-deoxy-alpha-D-galactoside; methyl\n2-acetamido-2-deoxy-D-galactoside; methyl 2-acetamido-2-deoxy-galactoside","2003-07-02","2020-07-17","methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranoside",""],["MGD","2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE","C20 H26 N10 O13 P2 S2","O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O;NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)C(=C3S)S)C(=O)N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N","InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1","MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE","1999-07-08","2021-03-01","5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["MGE","(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE","C38 H72 O10","O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC","InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1","MONOGALACTOSYL-DIACYLGLYCEROL","2005-10-03","2020-06-17","(1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate",""],["MGF","TRIFLUOROMAGNESATE","F3 Mg","F[Mg-](F)F;F[Mg-](F)F;F[Mg-](F)F","InChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3","","2003-04-01","2011-06-04","trifluoromagnesate(1-)",""],["MGG","2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID","C9 H17 N4 O5","O=C(NC(C(=O)O)CCCNC(=[NH2+])N)CC(=O)O;NC(=[NH2+])NCCC[CH](NC(=O)CC(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N","InChI=1S/C9H16N4O5/c10-9(11)12-3-1-2-5(8(17)18)13-6(14)4-7(15)16/h5H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H4,10,11,12)/p+1/t5-/m1/s1","D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION","1999-08-25","2024-09-27","amino({(4R)-4-carboxy-4-[(carboxyacetyl)amino]butyl}amino)methaniminium",""],["MGH","methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate","C20 H24 N4 O6","O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2;COC(=O)[CH](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)C(=O)CCc2ccccc2;COC(=O)C(Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2","InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1","(S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester","2011-03-24","2020-06-17","methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate","2013-08-28"],["MGI","methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate","C16 H16 O6","O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C;COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O;Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O","InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3","methyl-gerfelin","2007-09-30","2020-06-17","methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate",""],["MGJ","N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide","C20 H27 N5 O4","O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2;CNC(=O)[CH](Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC(O)=O;CNC(=O)C(Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC(=O)O","InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1","[{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid","2011-04-19","2021-03-01","N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide","2013-08-28"],["MGK","methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate","C20 H26 N4 O5","O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2;COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CCCc2ccccc2)CC(O)=O;COC(=O)C(Cc1cnc[nH]1)NC(=O)CN(CCCc2ccccc2)CC(=O)O","InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1","((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester","2011-04-19","2021-03-01","methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate","2013-04-03"],["MGL","methyl beta-D-glucopyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1","O1-METHYL-GLUCOSE; methyl beta-D-glucoside; methyl D-glucoside; methyl glucoside","1999-07-08","2020-07-17","methyl beta-D-glucopyranoside",""],["MGM","2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE","C19 H37 N O7 P2","O=P(OP(=O)(OCCN(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O)(O)O;CN(CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C)C","InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+","3-AZAGERANYLGERANYL DIPHOSPHATE","2002-11-20","2020-06-17","2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate",""],["MGN","2-METHYL-GLUTAMINE","C6 H12 N2 O3","O=C(N)CCC(N)(C(=O)O)C;C[C](N)(CCC(N)=O)C(O)=O;CC(CCC(=O)N)(C(=O)O)N","InChI=1S/C6H12N2O3/c1-6(8,5(10)11)3-2-4(7)9/h2-3,8H2,1H3,(H2,7,9)(H,10,11)/t6-/m0/s1","","1999-07-08","2024-09-27","2-methyl-L-glutamine",""],["MGO","[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE","C12 H20 N4 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1c[n+](c2c1C=C(N)NC2=O)C)C(O)C3O;C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3C=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=C2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1","","2007-08-16","2011-06-04","6-amino-1-{5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-3-methyl-4-oxo-4,5-dihydro-1H-imidazo[4,5-c]pyridin-3-ium",""],["MGP","7-METHYL-GUANOSINE-5'-TRIPHOSPHATE","C11 H19 N5 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N)NC1=O)C)C(O)C3O;C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1","","2001-05-16","2011-06-04","7-methylguanosine 5'-(tetrahydrogen triphosphate)",""],["MGQ","7-BENZYL GUANINE MONOPHOSPHATE","C17 H21 N5 O8 P","O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)Cc4ccccc4;NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/p+1/t10-,12-,13-,16-/m1/s1","","2007-08-16","2011-06-04","7-benzylguanosine 5'-(dihydrogen phosphate)",""],["MGR","MALACHITE GREEN","C23 H25 N2","C(=C1C=C/C(=[N+](/C)C)C=C1)(c2ccccc2)c3ccc(N(C)C)cc3;CN(C)c1ccc(cc1)C(c2ccccc2)=C3C=CC(C=C3)=[N+](C)C;CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3","InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1","","2001-09-12","2011-06-04","N-(4-{[4-(dimethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium",""],["MGS","methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside","C12 H23 N O7","O=C(NC1C(OC(OC)C(OC)C1O)C)C(O)CCO;CO[CH]1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[CH]1OC;CC1C(C(C(C(O1)OC)OC)O)NC(=O)C(CCO)O","InChI=1S/C12H23NO7/c1-6-8(13-11(17)7(15)4-5-14)9(16)10(18-2)12(19-3)20-6/h6-10,12,14-16H,4-5H2,1-3H3,(H,13,17)/t6-,7-,8-,9+,10+,12+/m1/s1","1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-MANNOPYRANOSIDE; methyl\n4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannoside; methyl\n4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-D-mannoside; methyl\n4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-mannoside","2000-06-26","2020-07-17","methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside",""],["MGT","7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE","C11 H20 N5 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O;CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","7-methylguanosine 5'-(tetrahydrogen triphosphate)",""],["MGV","P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE","C17 H20 F N5 O8 P","Fc1ccc(cc1)C[n+]3c2c(N=C(N)NC2=O)n(c3)C4OC(C(O)C4O)COP(=O)(O)O;NC1=Nc2n(c[n+](Cc3ccc(F)cc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)F","InChI=1S/C17H19FN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/p+1/t10-,12-,13-,16-/m1/s1","","2007-08-16","2011-06-04","7-(4-fluorobenzyl)guanosine 5'-(dihydrogen phosphate)",""],["MGW","methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate","C19 H24 N4 O5","O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2;COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CCc2ccccc2)CC(O)=O;COC(=O)C(Cc1cnc[nH]1)NC(=O)CN(CCc2ccccc2)CC(=O)O","InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1","( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester","2011-04-19","2020-06-17","methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate","2013-08-28"],["MGX","1-METHYLGUANIDINE","C2 H7 N3","[N@H]=C(N)NC;CNC(N)=N;[H]N=C(N)NC","InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)","","2006-02-10","2011-06-04","1-methylguanidine",""],["MGY","N-METHYLGLYCINE","C3 H7 N O2","O=C(O)CNC;CNCC(O)=O;CNCC(=O)O","InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/f/h5H","","1999-07-08","2009-01-07","N-methylglycine",""],["MGZ","(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid","C15 H10 Cl F3 O3","Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O;OC(=O)[CH](Oc1cccc(c1)C(F)(F)F)c2ccc(Cl)cc2;c1cc(cc(c1)OC(c2ccc(cc2)Cl)C(=O)O)C(F)(F)F","InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1","Metaglidasen","2014-04-08","2021-03-01","(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid","2015-02-11"],["MH0","Mesoheme","C34 H36 Fe N4 O4","O=C(O)CCC1=C(C2=CC=6C(=C(C5=CC=4C(=C(C3=CC=7C(=C(C8=CC1=N2[Fe](N3=4)(N5=6)N=78)CCC(=O)O)C)C)CC)C)CC)C;[Fe]|1|2|3|N4=C5C=C6N|1=C(C=C7N|2=C(C=C8N|3=C(C=C4C(=C5CC)C)C(=C8CCC(O)=O)C)C(=C7C)CCC(O)=O)C(=C6C)CC;CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C","InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H,39,40)(H,41,42);/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2013-05-03","2024-09-27","[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphine-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoic acid]iron","2013-07-03"],["MH1","1-methyl-L-histidine","C7 H11 N3 O2","O=C(O)C(N)Cc1ncn(c1)C;Cn1cnc(C[CH](N)C(O)=O)c1;Cn1cc(nc1)CC(C(=O)O)N","InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H","","2009-02-26","2009-08-17","1-methyl-L-histidine",""],["MH2","MANGANESE ION, 1 HYDROXYL COORDINATED","H Mn O","[Mn+2]O;O[Mn++];O[Mn+2]","InChI=1S/Mn.H2O/h;1H2/q+3;/p-1","[MN(OH)]+","2002-06-26","2020-06-17","hydroxymanganese(2+)",""],["MH3","MANGANESE ION, 1 HYDROXYL COORDINATED","H Mn O","[Mn+3]O;O[Mn+3];O[Mn+3]","InChI=1/Mn.H2O/h;1H2/q+4;/p-1/fMn.HO/h;1h/qm;-1/rHMnO/c1-2/h2H/q+3","[MN(OH)]2+","2002-06-26","2008-10-14","hydroxymanganese(3+)",""],["MH4","1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE","C29 H33 N9 O","O=C(NCc1ccnc(c1)C)c4nn(c3c2nc(ncc2CCc34)Nc5ccc(cc5)N6CCN(C)CC6)C;CN1CCN(CC1)c2ccc(Nc3ncc4CCc5c(nn(C)c5c4n3)C(=O)NCc6ccnc(C)c6)cc2;Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3","InChI=1S/C29H33N9O/c1-19-16-20(10-11-30-19)17-31-28(39)26-24-9-4-21-18-32-29(34-25(21)27(24)37(3)35-26)33-22-5-7-23(8-6-22)38-14-12-36(2)13-15-38/h5-8,10-11,16,18H,4,9,12-15,17H2,1-3H3,(H,31,39)(H,32,33,34)","","2010-04-23","2011-06-04","1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-N-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide",""],["MH5","3-[(5-methylthiophen-2-yl)methylamino]benzoic acid","C13 H13 N O2 S","Cc1sc(CNc2cccc(c2)C(O)=O)cc1;Cc1ccc(s1)CNc2cccc(c2)C(=O)O","InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)","","2019-10-14","2020-06-26","3-[(5-methylthiophen-2-yl)methylamino]benzoic acid","2020-07-01"],["MH6","3-hydroxy-2-iminopropanoic acid","C3 H5 N O3","O=C(O)C(=[N@H])CO;OCC(=N)C(O)=O;C(C(=N)C(=O)O)O","InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+","","2008-03-11","2024-09-27","(2E)-3-hydroxy-2-iminopropanoic acid",""],["MH7","N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide","C20 H35 N5 O2","O=C(c1cnc(nc1NC2CCC(O)CC2)NCCCC)N(CCCC)C;CCCCNc1ncc(C(=O)N(C)CCCC)c(N[CH]2CC[CH](O)CC2)n1;CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC","InChI=1S/C20H35N5O2/c1-4-6-12-21-20-22-14-17(19(27)25(3)13-7-5-2)18(24-20)23-15-8-10-16(26)11-9-15/h14-16,26H,4-13H2,1-3H3,(H2,21,22,23,24)/t15-,16-","","2013-09-10","2014-05-16","N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide","2014-05-21"],["MH8","(2S)-2-amino-2-methylhept-6-enoic acid","C8 H15 N O2","O=C(O)C(N)(CCC/C=C)C;C[C](N)(CCCC=C)C(O)=O;CC(CCCC=C)(C(=O)O)N","InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1","","2015-02-04","2024-09-27","(2S)-2-amino-2-methylhept-6-enoic acid","2015-09-09"],["MH9","(2E,4E)-DODECA-2,4-DIENOIC ACID","C12 H20 O2","O=C(O)C=CC=CCCCCCCC;CCCCCCCC=CC=CC(O)=O;CCCCCCCC=CC=CC(=O)O","InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+","","2011-03-28","2024-09-27","(2E,4E)-dodeca-2,4-dienoic acid","2012-08-24"],["MHA","(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID","C6 H10 N2 O5","O=C(O)CN(CC(=O)N)CC(=O)O;NC(=O)CN(CC(O)=O)CC(O)=O;C(C(=O)N)N(CC(=O)O)CC(=O)O","InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)","N-(2-ACETAMIDO)IMINODIACETIC ACID","2002-06-18","2021-03-01","2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid",""],["MHB","2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","C14 H12 N2 O3","O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C;Cc1cc(ccc1O)N=Nc2ccccc2C(O)=O;Cc1cc(ccc1O)N=Nc2ccccc2C(=O)O","InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+","","1999-07-08","2011-06-04","2-[(E)-(4-hydroxy-3-methylphenyl)diazenyl]benzoic acid",""],["MHC","3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE","C14 H16 N2 O S","O=C(N3CCc2c1ccccc1nc2C3)CCS;SCCC(=O)N1CCc2c(C1)[nH]c3ccccc23;c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS","InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2","","2002-12-06","2024-09-27","3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol",""],["MHD","1-methyl-1H-indol-3-ol","C9 H9 N O","Oc2c1ccccc1n(c2)C;Cn1cc(O)c2ccccc12;Cn1cc(c2c1cccc2)O","InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-6,11H,1H3","","2013-09-04","2013-10-25","1-methyl-1H-indol-3-ol","2013-10-30"],["MHE","5,5-dimethyl-2-oxohexanoic acid","C8 H14 O3","O=C(C(=O)O)CCC(C)(C)C;CC(C)(C)CCC(=O)C(O)=O;CC(C)(C)CCC(=O)C(=O)O","InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)7(10)11/h4-5H2,1-3H3,(H,10,11)","","2008-06-02","2024-09-27","5,5-dimethyl-2-oxohexanoic acid",""],["MHF","5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID","C20 H23 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C=2C(=O)N=C(N)NC=2NC3)C4)CCC(=O)O;NC1=NC(=O)C2=C(NC[CH]3CN(CN23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C(N3C2)C(=O)N=C(N4)N","InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1","","1999-07-08","2011-06-04","N-({4-[(6aR)-3-amino-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid",""],["MHG","2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate","C17 H30 N5 O8 P","CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC;CCC(C)CCN1CN(C2=C1C(=O)NC(=N2)NC)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C17H30N5O8P/c1-4-9(2)5-6-21-8-22(14-11(21)15(25)20-17(18-3)19-14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h9-10,12-13,16,23-24H,4-8H2,1-3H3,(H2,26,27,28)(H2,18,19,20,25)/t9-,10+,12+,13+,16+/m0/s1","","2017-09-25","2019-05-03","[(2~{R},3~{S},4~{R},5~{R})-5-[2-(methylamino)-7-[(3~{S})-3-methylpentyl]-6-oxidanylidene-1,8-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["MHH","methyl hydrogen (R)-hexylphosphonate","C7 H17 O3 P","O=P(O)(OC)CCCCCC;CCCCCC[P](O)(=O)OC;CCCCCCP(=O)(O)OC","InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)","","2008-01-28","2024-09-27","methyl hydrogen (R)-hexylphosphonate",""],["MHI","L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID","C15 H26 N4 O8","C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCC[CH](N)C(O)=O)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O)N","InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/t7-,8+,9-,10+/m0/s1","","2010-12-14","2011-07-01","(2R,6S)-2-amino-6-[[(4R)-4-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]heptanedioic acid",""],["MHK","naphthalene-1-sulfonamide","C10 H9 N O2 S","N[S](=O)(=O)c1cccc2ccccc12;c1ccc2c(c1)cccc2S(=O)(=O)N","InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)","","2019-10-15","2020-10-09","naphthalene-1-sulfonamide","2020-10-14"],["MHL","N-METHYL-4-HYDROXY-LEUCINE","C7 H15 N O3","O=C(O)C(NC)CC(O)(C)C;CN[CH](CC(C)(C)O)C(O)=O;CC(C)(CC(C(=O)O)NC)O","InChI=1S/C7H15NO3/c1-7(2,11)4-5(8-3)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1","","1999-07-08","2024-09-27","4-hydroxy-N-methyl-L-leucine",""],["MHM","[7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPORPANOTO-(2)-N21,N22,N23,N24,]IRON","C34 H32 Fe N4 O4","O=C(O)CCC=1C7=[N+]4C(C=1C)=Cc5c(C=C)c(c6C=C8[N+]3=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C=C)C)C;CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5n6c(C=C7C(=C(C)C8=[N+]7[Fe]46N2C1=C8)C=C)c(C)c5C=C)C(=C3CCC(O)=O)C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C","InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H32N4O4.Fe/h39,41H;/q-2;m/rC34H30FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3/p+2/fC34H32FeN4O4/h40,42H/q+2","MESOHEME","1999-07-08","2008-10-14","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)",""],["MHN","6-METHYLHEPTAN-1-OL","C8 H18 O","OCCCCCC(C)C;CC(C)CCCCCO;CC(C)CCCCCO","InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3","METHYL HEPTANOL","2003-04-14","2020-06-17","6-methylheptan-1-ol",""],["MHO","S-OXYMETHIONINE","C5 H11 N O3 S","O=C(O)C(N)CCS(=O)C;C[S](=O)CC[CH](N)C(O)=O;CS(=O)CCC(C(=O)O)N","InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid",""],["MHQ","desmosterol","C27 H44 O","C[CH](CCC=C(C)C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1","","2019-10-15","2020-11-13","(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol","2020-11-18"],["MHR","4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","C14 H15 N5 O","n1ccc(OCCC)c2c1ncc2c3nc(ncc3)N;CCCOc1ccnc2[nH]cc(c3ccnc(N)n3)c12;CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N","InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)","","2007-12-04","2011-06-04","4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",""],["MHS","N1-METHYLATED HISTIDINE","C7 H11 N3 O2","O=C(O)C(N)Cc1cncn1C;Cn1cncc1C[CH](N)C(O)=O;Cn1cncc1CC(C(=O)O)N","InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1","","1999-07-08","2024-09-27","3-methyl-L-histidine",""],["MHT","(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane","C8 H15 N S","S(C2C1CCN(CC1)C2)C;CS[CH]1CN2CCC1CC2;CSC1CN2CCC1CC2","InChI=1S/C8H15NS/c1-10-8-6-9-4-2-7(8)3-5-9/h7-8H,2-6H2,1H3/t8-/m1/s1","","2010-07-15","2024-09-27","(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane",""],["MHU","4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE","C12 H18 N2 O2","O=C(O)C(NC)Cc1ccc(N(C)C)cc1;CN[CH](Cc1ccc(cc1)N(C)C)C(O)=O;CNC(Cc1ccc(cc1)N(C)C)C(=O)O","InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1","","2010-07-15","2024-09-27","4-(dimethylamino)-N-methyl-L-phenylalanine",""],["MHV","4-OXO-L-PIPECOLIC ACID","C6 H9 N O3","O=C(O)C1NCCC(=O)C1;OC(=O)[CH]1CC(=O)CCN1;C1CNC(CC1=O)C(=O)O","InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1","","2010-07-15","2024-09-27","(2S)-4-oxopiperidine-2-carboxylic acid",""],["MHW","3-HYDROXYPICOLINIC ACID","C6 H5 N O3","O=C(O)c1ncccc1O;OC(=O)c1ncccc1O;c1cc(c(nc1)C(=O)O)O","InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)","","2010-07-15","2024-09-27","3-hydroxypyridine-2-carboxylic acid",""],["MHX","Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, cyanide cluster (-CO form)","C8 H5 Fe2 N3 O4 S2","[Fe+]C(=O)[Fe+]1SCNCS1.[C-]#N.[C-]#N.[C-]#[O+].[C-]#[O+].[C-]#[O+];C1NC[S]2[Fe+]3([S]1[Fe+]2(C3=O)([C-]#N)([C-]#[O+])[C-]#[O+])([C-]#N)[C-]#[O+]","InChI=1S/C2H5NS2.2CN.4CO.2Fe/c4-1-3-2-5;6*1-2;;/h3H,1-2H2;;;;;;;;/q;2*-1;;;;;2*+1","","2022-07-27","2023-11-12","1,1,7-tris(hydroxymethyl)-8-oxidanylidene-2$l^{3},6$l^{3}-dithia-4-aza-1$l^{6},7$l^{5}-diferratricyclo[4.2.0.0^{2,7}]octane-1,7-dicarbonitrile","2022-12-14"],["MHY","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H15 F2 N3 O5","NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C;C[CH](O)[CH](N)C1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1","","2019-04-02","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-04-08"],["MHZ","5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE","C14 H24 N8 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N;CN(CCCNN)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CN(CCCNN)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1","","2001-03-13","2024-09-27","5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine",""],["MI0","(3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide","C12 H22 F2 N2 O2","O=C(NC)C(F)(F)C(O)C(N)CC1CCCCC1;CNC(=O)C(F)(F)[CH](O)[CH](N)CC1CCCCC1;CNC(=O)C(C(C(CC1CCCCC1)N)O)(F)F","InChI=1S/C12H22F2N2O2/c1-16-11(18)12(13,14)10(17)9(15)7-8-5-3-2-4-6-8/h8-10,17H,2-7,15H2,1H3,(H,16,18)/t9-,10+/m0/s1","","2010-11-09","2012-01-13","(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methylpentanamide (non-preferred name)",""],["MI1","3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile","C16 H20 N6 O","N#CCC(=O)N3CC(N(c1ncnc2c1ccn2)C)C(C)CC3;C[CH]1CCN(C[CH]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N;CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N","InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1","CP-690,550","2008-10-24","2021-03-13","3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile",""],["MI2","2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE","C16 H15 N3","[N@H]=C(c1cc2c(cc1)nc(c2)c3ccccc3C)N;Cc1ccccc1c2[nH]c3ccc(cc3c2)C(N)=N;[H]N=C(c1ccc2c(c1)cc([nH]2)c3ccccc3C)N","InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-9-12-8-11(16(17)18)6-7-14(12)19-15/h2-9,19H,1H3,(H3,17,18)","","2006-02-24","2011-06-04","2-(2-methylphenyl)-1H-indole-5-carboximidamide",""],["MI3","3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)","C18 H22 N5 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=CNC1=O)C(O)C4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC=Nc34;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=CNC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C18H22N5O15P3/c1-19-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)24)23-8-22-12-15(23)20-7-21-16(12)25/h2-5,7-8,11,13-14,17,19,24H,6H2,1H3,(H,30,31)(H,32,33)(H,20,21,25)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1","","2009-02-18","2011-06-04","3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)",""],["MI4","(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C36 H54 O3","OC6C(=C)C(O)CC(=CC=C2C1CCC(C1(C)CCC2)C(/C=C/CC(O)CC34CC5CC(C3)CC(C4)C5)C)C6;C[CH](C=CC[CH](O)CC12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)[CH](O)C6;CC(C=CCC(CC12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)O)O)C","InChI=1S/C36H54O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h4,6,9-10,23,26-28,30-34,37-39H,2,5,7-8,11-22H2,1,3H3/b6-4+,29-10+/t23-,26-,27+,28-,30+,31+,32-,33+,34+,35+,36-/m0/s1","","2008-05-13","2011-06-04","(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["MI5","N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine","C19 H22 N8 S","n5sc(Nc2n4ncc(c1cn(nc1)C)c4nc(c2)C3CCCNC3)cc5C;Cn1cc(cn1)c2cnn3c(Nc4snc(C)c4)cc(nc23)[CH]5CCCNC5;Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)C5CCCNC5","InChI=1S/C19H22N8S/c1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h6-7,9-11,13,20,24H,3-5,8H2,1-2H3/t13-/m1/s1","","2010-09-13","2011-06-04","3-(1-methyl-1H-pyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine",""],["MI6","(2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","C29 H35 Cl2 F N4 O3","CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]13C(=O)Nc4cc(Cl)ccc34)C(=O)NCCN5CCOCC5;CC(C)(C)CC1C2(c3ccc(cc3NC2=O)Cl)C(C(N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl","InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23-,25-,29-/m1/s1","","2010-01-25","2011-06-04","(2'R,3R,3'R,5'R)-6-chloro-3'-(3-chloro-2-fluoro-phenyl)-5'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide",""],["MI7","7-METHOXY-1H-INDAZOLE","C8 H8 N2 O","n2cc1cccc(OC)c1n2;COc1cccc2cn[nH]c12;COc1cccc2c1[nH]nc2","InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)","","2005-10-17","2025-07-04","7-methoxy-1H-indazole","2025-07-09"],["MI8","methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate","C29 H48 N2 O5","COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC;CC=CC1C(C(CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CC(CC(=O)OC)N)O)N)O)C","InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25-,26-,27+,28+/m1/s1","","2022-12-23","2023-10-20","methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate","2023-10-25"],["MI9","Oxomolybdenum Mesoporphyrin IX","C34 H36 Mo N4 O5","CCC1=C(C)C2=NC1=Cc3n4c(C=C5N=C(C=C6[N](C(=C2)C(=C6CCC(O)=O)C)[Mo]4=O)C(=C5C)CCC(O)=O)c(CC)c3C;CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C","InChI=1S/C34H38N4O4.Mo.O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);;/q;+2;/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;","","2019-03-12","2020-03-13","","2020-03-18"],["MIA","2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE","C16 H24 N5 O7 P S","OP(=O)(O)OCC1OC(C(C1O)O)n2cnc3c(NCC=C(C)C)nc(nc23)SC;CSc1nc(NCC=C(C)C)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;CC(=CCNc1c2c(nc(n1)SC)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)C","InChI=1S/C16H24N5O7PS/c1-8(2)4-5-17-13-10-14(20-16(19-13)30-3)21(7-18-10)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h4,7,9,11-12,15,22-23H,5-6H2,1-3H3,(H,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1","","1999-07-08","2019-06-13","N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate)",""],["MIB","(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE","C13 H13 N O","O=C(C=Cc2c1ccccc1n(c2)C)C;Cn1cc(C=CC(C)=O)c2ccccc12;CC(=O)C=Cc1cn(c2c1cccc2)C","InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7+","","2005-06-01","2011-06-04","(3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one",""],["MIC","ALPHA-METHYLISOCITRIC ACID","C7 H10 O7","O=C(O)C(O)(C)C(C(=O)O)CC(=O)O;C[C](O)([CH](CC(O)=O)C(O)=O)C(O)=O;CC(C(CC(=O)O)C(=O)O)(C(=O)O)O","InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1","","1999-07-08","2011-06-04","3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid",""],["MID","1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine","C27 H31 N5 O4 S","O=C(N1CCCCC1)C(NC(=O)CNS(=O)(=O)c3cc2ccccc2cc3)Cc4ccc(C(=[N@H])N)cc4;NC(=N)c1ccc(C[CH](NC(=O)CN[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCCC4)cc1;[H]N=C(c1ccc(cc1)CC(C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)N","InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1","NAPAP","1999-07-08","2021-03-01","1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine",""],["MIE","methylglyoxal","C3 H4 O2","O=CC(C)=O;CC(=O)C=O;CC(=O)C=O","InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","","2022-03-16","2024-09-27","2-oxopropanal","2022-08-24"],["MIF","(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one","C8 H12 N2 O6 S","O=C2NC(=[N@H])SC21OC(C(O)C(O)C1O)CO;OC[CH]1O[C]2(SC(=N)NC2=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C2(O1)C(=O)NC(=N)S2)O)O)O)O","InChI=1S/C8H12N2O6S/c9-7-10-6(15)8(17-7)5(14)4(13)3(12)2(1-11)16-8/h2-5,11-14H,1H2,(H2,9,10,15)/t2-,3-,4+,5-,8-/m1/s1","","2014-03-15","2014-08-01","(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one","2014-08-06"],["MIG","(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","C8 H17 N O5","OCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO;C1C(C(C(C(N1CCO)CO)O)O)O","InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1","Miglitol","2010-01-14","2021-03-01","(1R,2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["MIH","8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide","C25 H19 Cl2 F2 N3 O","Fc1ccc(c(F)c1)c2cc(nc3c2cc[n+]([O-])c3c4c(Cl)cccc4Cl)C5CCNCC5;[O-][n+]1ccc2c(cc(nc2c1c3c(Cl)cccc3Cl)C4CCNCC4)c5ccc(F)cc5F;c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl","InChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2","","2010-05-10","2011-06-04","8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-(piperidin-4-yl)-1,7-naphthyridine 7-oxide",""],["MII","methicillin","C17 H20 N2 O6 S","COc1cccc(OC)c1C(=O)N[CH]2[CH]3SC(C)(C)[CH](N3C2=O)C(O)=O;CC1(C(N2C(S1)C(C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C","InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1","","2009-11-19","2011-06-04","(2S,5R,6R)-6-[(2,6-dimethoxyphenyl)carbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["MIJ","(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide","C28 H35 N5 O6","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O;CNC(=O)C(C(CC1CCNC1=O)NC(=O)C(CC2CC2)N3C=CC=C(C3=O)NC(=O)Cc4ccccc4)O","InChI=1S/C28H35N5O6/c1-29-27(38)24(35)21(16-19-11-12-30-25(19)36)32-26(37)22(14-18-9-10-18)33-13-5-8-20(28(33)39)31-23(34)15-17-6-3-2-4-7-17/h2-8,13,18-19,21-22,24,35H,9-12,14-16H2,1H3,(H,29,38)(H,30,36)(H,31,34)(H,32,37)/t19-,21-,22-,24+/m0/s1","","2022-07-27","2024-09-27","(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide","2023-08-16"],["MIK","METHYL ISONICOTINIMIDATE LYSINE","C12 H18 N4 O2","O=C(O)C(N)CCCC/N=C(/c1ccncc1)N;N[CH](CCCCN=C(N)c1ccncc1)C(O)=O;c1cnccc1C(=NCCCCC(C(=O)O)N)N","InChI=1S/C12H18N4O2/c13-10(12(17)18)3-1-2-6-16-11(14)9-4-7-15-8-5-9/h4-5,7-8,10H,1-3,6,13H2,(H2,14,16)(H,17,18)/t10-/m0/s1","","2001-11-05","2011-06-04","(Z)-N~6~-[amino(pyridin-4-yl)methylidene]-L-lysine",""],["MIL","MILRINONE","C12 H9 N3 O","N#CC1=CC(=C(NC1=O)C)c2ccncc2;CC1=C(C=C(C#N)C(=O)N1)c2ccncc2;CC1=C(C=C(C(=O)N1)C#N)c2ccncc2","InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)","","1999-07-08","2011-06-04","2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile",""],["MIM","[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE","C33 H52 N6 O4","O=C(NCCC1CCCCC1)C(NC(=O)C(NC(=O)Cc2ccc(cc2)CCCCn3ccnc3C)CO)CCCCN;Cc1nccn1CCCCc2ccc(CC(=O)N[CH](CO)C(=O)N[CH](CCCCN)C(=O)NCCC3CCCCC3)cc2;Cc1nccn1CCCCc2ccc(cc2)CC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCCC3CCCCC3","InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1","","1999-07-08","2011-06-04","N-({4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide",""],["MIN","METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE","C22 H34 N4 O2","O=C(NCC1CCC(N)CC1)C3N(C(=O)C(NC)Cc2ccccc2)CCC3;CN[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NC[CH]3CC[CH](N)CC3;CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N","InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20+/m1/s1","","1999-07-08","2011-06-04","N-methyl-D-phenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide",""],["MIO","3-methyl-1,2-oxazol-5-amine","C4 H6 N2 O","n1oc(N)cc1C;Cc1cc(N)on1;Cc1cc(on1)N","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","","2011-04-04","2012-03-16","3-methyl-1,2-oxazol-5-amine",""],["MIP","MONOISOPROPYL ESTER PHOSPHONIC ACID","C3 H9 O4 P","O=P(O)(O)OC(C)C;CC(C)O[P](O)(O)=O;CC(C)OP(=O)(O)O","InChI=1/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)/f/h4-5H","","1999-07-08","2008-10-14","1-methylethyl dihydrogen phosphate",""],["MIQ","2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione","C17 H17 N3 O5","O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=O)N1CCOCC1;O=C1CC[CH](N2C(=O)c3ccc(cc3C2=O)N4CCOCC4)C(=O)N1;c1cc2c(cc1N3CCOCC3)C(=O)N(C2=O)C4CCC(=O)NC4=O","InChI=1S/C17H17N3O5/c21-14-4-3-13(15(22)18-14)20-16(23)11-2-1-10(9-12(11)17(20)24)19-5-7-25-8-6-19/h1-2,9,13H,3-8H2,(H,18,21,22)/t13-/m0/s1","","2023-08-15","2024-03-08","2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione","2024-03-13"],["MIR","Monoethylphosphorylserine","C5 H12 N O6 P","O=P(OCC)(OCC(N)C(=O)O)O;CCO[P](O)(=O)OC[CH](N)C(O)=O;CCOP(=O)(O)OCC(C(=O)O)N","InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1","O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine","2009-06-04","2024-09-27","O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine",""],["MIS","MONOISOPROPYLPHOSPHORYLSERINE","C6 H14 N O6 P","O=P(OCC(N)C(=O)O)(OC(C)C)O;CC(C)O[P](O)(=O)OC[CH](N)C(O)=O;CC(C)OP(=O)(O)OCC(C(=O)O)N","InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1","","1999-07-08","2024-09-27","O-[(R)-hydroxy(1-methylethoxy)phosphoryl]-L-serine",""],["MIT","amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium","C23 H37 N6 O5 S","O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[NH2+])N;C[CH]1CCN([CH](C1)C(O)=O)C(=O)[CH](CCCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3C[CH](C)CNc23;CC1CCN(C(C1)C(=O)O)C(=O)C(CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NCC(C3)C","InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/p+1/t14-,15-,17+,18-/m1/s1","R-argatroban; MQPA; MD-805; MITSUBISHI INHIBITOR","1999-07-08","2021-03-13","amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium",""],["MIU","N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE","C20 H32 F3 N7 O3 S","FC(F)(F)c1cc(ccc1)S(=O)(=O)NC(C(=O)N2CCN(CCCN)CC2)CCC/N=C(N)N;NCCCN1CCN(CC1)C(=O)[CH](CCCN=C(N)N)N[S](=O)(=O)c2cccc(c2)C(F)(F)F;c1cc(cc(c1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F","InChI=1S/C20H32F3N7O3S/c21-20(22,23)15-4-1-5-16(14-15)34(32,33)28-17(6-2-8-27-19(25)26)18(31)30-12-10-29(11-13-30)9-3-7-24/h1,4-5,14,17,28H,2-3,6-13,24H2,(H4,25,26,27)/t17-/m0/s1","L-ARGININE TEMPLATE INHIBITOR CS107","2004-09-02","2021-03-01","N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide",""],["MIV","MYCINAMICIN IV","C37 H61 N O11","CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O[CH](C)[CH](O)[CH](OC)[CH]3OC;CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(C(O3)C)O)OC)OC","InChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1","","2011-01-05","2012-01-20","(3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione",""],["MIW","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide","C33 H38 F2 N5 O7 P S2","CN(C)C(=O)CCN(c1ccc2scnc2c1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C;CN(C)C(=O)CCN(C(=O)[CH]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc5scnc5c4;CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c2ccc3c(c2)ncs3)NC(=O)c4cc5cc(ccc5s4)C(F)(F)P(=O)(O)O","InChI=1S/C33H38F2N5O7PS2/c1-32(2,3)28(37-29(42)26-16-19-15-20(8-10-24(19)50-26)33(34,35)48(45,46)47)31(44)40-13-6-7-23(40)30(43)39(14-12-27(41)38(4)5)21-9-11-25-22(17-21)36-18-49-25/h8-11,15-18,23,28H,6-7,12-14H2,1-5H3,(H,37,42)(H2,45,46,47)/t23-,28+/m0/s1","","2022-03-16","2023-02-10","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide","2023-02-15"],["MIX","1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE","C22 H28 N4 O6","O=C2c1c(c(NCCNCCO)ccc1NCCNCCO)C(=O)c3c2c(O)ccc3O;OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12;c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO","InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2","MITOXANTRONE; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE","2006-02-03","2020-05-27","1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione",""],["MIY","(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-\nCARBOXAMIDE","C23 H27 N3 O7","O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c(ccc3O)N(C)C)C4;CN(C)[CH]1[CH]2C[CH]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)N(C)C;CN(C)c1ccc(c2c1CC3CC4C(C(=C(C(=O)C4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O","InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1","MINOCYCLINE","2006-06-09","2020-06-17","(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["MIZ","1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium","C13 H18 N3","n1c(cnc1)CC[n+]2c(cc(cc2C)C)C;Cc1cc(C)[n+](CCc2c[nH]cn2)c(C)c1;Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C","InChI=1S/C13H18N3/c1-10-6-11(2)16(12(3)7-10)5-4-13-8-14-9-15-13/h6-9H,4-5H2,1-3H3,(H,14,15)/q+1","","2009-05-20","2011-06-04","1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium",""],["GSX","5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE","C19 H22 Cl N3 O5 S3","Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4;C[CH](N1CC[CH](N[S](=O)(=O)c2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl","InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1","","2006-11-02","2011-06-04","5'-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide",""],["GSY","7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE","C7 H9 N5 O2 S","O=C1c2c(N=C(N1)N)nc(S)n2CCO;NC1=Nc2nc(S)n(CCO)c2C(=O)N1;C(CO)n1c2c(nc1S)N=C(NC2=O)N","InChI=1S/C7H9N5O2S/c8-6-9-4-3(5(14)11-6)12(1-2-13)7(15)10-4/h13H,1-2H2,(H4,8,9,10,11,14,15)","","2011-12-22","2014-09-05","2-amino-7-(2-hydroxyethyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one","2013-01-11"],["GSZ","N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE","C20 H28 N3 O4","O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)CO)C(C)C;CC(C)C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)[n+]2cc(CCc3ccccc3)[nH]c12;CC(C)C(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO)CCc3ccccc3","InChI=1S/C20H27N3O4/c1-12(2)20(27)22-16-18(26)17(25)15(11-24)23-10-14(21-19(16)23)9-8-13-6-4-3-5-7-13/h3-7,10,12,15-18,24-26H,8-9,11H2,1-2H3,(H,22,27)/p+1/t15-,16-,17-,18-/m1/s1","","2006-09-22","2011-06-04","(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-8-[(2-methylpropanoyl)amino]-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["GT0","5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol","C9 H13 N O3","Oc1c(c(cnc1C)CO)COC;COCc1c(O)c(C)ncc1CO;Cc1c(c(c(cn1)CO)COC)O","InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3","ginkgotoxin","2012-04-13","2020-06-17","5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol",""],["GT1","[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate","C9 H14 N O6 P","O=P(O)(O)OCc1cnc(c(O)c1COC)C;COCc1c(O)c(C)ncc1CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)COC)O","InChI=1S/C9H14NO6P/c1-6-9(11)8(5-15-2)7(3-10-6)4-16-17(12,13)14/h3,11H,4-5H2,1-2H3,(H2,12,13,14)","ginkgotoxin, phosphorylated","2012-04-13","2021-03-13","[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate",""],["GT2","4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide","C14 H9 Cl3 N2 O3","ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1;c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl","InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)","","2018-10-08","2018-10-26","4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide","2018-10-31"],["GT3","2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide","C11 H16 N6 O4","C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N;CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O","InChI=1S/C11H16N6O4/c1-5(19)6(3-18)14-7(20)2-17-4-13-8-9(17)15-11(12)16-10(8)21/h4-6,18-19H,2-3H2,1H3,(H,14,20)(H3,12,15,16,21)/t5-,6-/m1/s1","","2020-04-03","2020-11-20","2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[(2~{R},3~{R})-1,3-bis(oxidanyl)butan-2-yl]ethanamide","2020-11-25"],["GT4","~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide","C9 H11 N O3","COCC(=O)Nc1ccc(O)cc1;COCC(=O)Nc1ccc(cc1)O","InChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)","","2018-06-01","2019-04-05","~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide","2019-04-10"],["GT5","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide","C27 H41 N5 O6 S2","COC[CH](NC(=O)[CH](CC(C)C)NC(=O)c1sc(C)nc1)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;Cc1ncc(s1)C(=O)NC(CC(C)C)C(=O)NC(COC)C(=O)NC(CCS(=O)(=O)C)Cc2ccc(cc2)CN","InChI=1S/C27H41N5O6S2/c1-17(2)12-22(31-27(35)24-15-29-18(3)39-24)25(33)32-23(16-38-4)26(34)30-21(10-11-40(5,36)37)13-19-6-8-20(14-28)9-7-19/h6-9,15,17,21-23H,10-14,16,28H2,1-5H3,(H,30,34)(H,31,35)(H,32,33)/t21-,22+,23+/m1/s1","","2018-10-09","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide","2019-01-30"],["GT6","(2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide]","C42 H56 F2 N8 O6","O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)CC(O)C6)C(NC(=O)C(NC)C)CC;CC[CH](NC(=O)[CH](C)NC)C(=O)N1C[CH](O)C[CH]1Cc2c([nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4C[CH]6C[CH](O)CN6C(=O)[CH](CC)NC(=O)[CH](C)NC;CCC(C(=O)N1CC(CC1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)F)O)NC(=O)C(C)NC","InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1","","2013-05-22","2014-05-09","(2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] (non-preferred name)","2014-05-14"],["GT7","2-cyano-~{N}-cyclohexyl-ethanamide","C9 H14 N2 O","O=C(CC#N)NC1CCCCC1;C1CCC(CC1)NC(=O)CC#N","InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)","","2018-06-01","2019-04-05","2-cyano-~{N}-cyclohexyl-ethanamide","2019-04-10"],["GT8","(2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C32 H52 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](CCC3CCCCC3)[CH](O)C(C)(C)O)cc1;CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CCC2CCCCC2)C(C(C)(C)O)O)NC(=O)CN3CCOCC3","InChI=1S/C32H52N4O7/c1-22(33-28(37)21-36-16-18-43-19-17-36)30(39)35-27(20-24-10-13-25(42-4)14-11-24)31(40)34-26(29(38)32(2,3)41)15-12-23-8-6-5-7-9-23/h10-11,13-14,22-23,26-27,29,38,41H,5-9,12,15-21H2,1-4H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,29+/m0/s1","","2018-10-09","2024-09-27","(2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["GT9","S-NONYL-CYSTEINE","C12 H25 N O2 S","O=C(O)C(N)CSCCCCCCCCC;CCCCCCCCCSC[CH](N)C(O)=O;CCCCCCCCCSCC(C(=O)O)N","InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-16-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1","","1999-07-08","2011-06-04","S-nonyl-L-cysteine",""],["GTA","P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE","C21 H30 N10 O17 P3","O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)N;C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)c6N=C(N)NC(=O)c16;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","7-METHYL-GPPPA","2001-05-16","2021-03-01","2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)",""],["GTB","S-(P-NITROBENZYL)GLUTATHIONE","C17 H22 N4 O8 S","O=[N+]([O-])c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-(4-nitrobenzyl)-L-cysteinylglycine",""],["GTC","(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid","C9 H13 N3 O2 S","S=C1NC(=NN1)C2CCCCC2C(=O)O;OC(=O)[CH]1CCCC[CH]1C2=NNC(=S)N2;C1CCC(C(C1)C2=NNC(=S)N2)C(=O)O","InChI=1S/C9H13N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h5-6H,1-4H2,(H,13,14)(H2,10,11,12,15)/t5-,6+/m0/s1","","2009-03-30","2011-06-04","(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid",""],["GTD","1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE","C16 H20 N6 O12 S","O=[N+]([O-])C1=CC([N+]([O-])=O)C=C([N+]([O-])=O)C1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CS[CH]1C(=C[CH](C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C16H20N6O12S/c17-8(16(27)28)1-2-12(23)19-9(15(26)18-5-13(24)25)6-35-14-10(21(31)32)3-7(20(29)30)4-11(14)22(33)34/h3-4,7-9,14H,1-2,5-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-,9-,14+/m0/s1","(S)-2-AMINO-5-((R)-1-(CARBOXYMETHYLAMINO)-1-OXO-3-(2,4,6-TRINITROCYCLOHEXA-2,5-DIENYLTHIO)PROPAN-2-YLAMINO)-5-OXOPENTANOIC ACID","1999-07-08","2021-03-13","L-gamma-glutamyl-S-(cis-2,4,6-trinitrocyclohexa-2,5-dien-1-yl)-L-cysteinylglycine",""],["GTE","GLUCOSE 4-O4 GROUP","H O","O;[OH];[OH]","InChI=1/H2O/h1H2","","1999-07-08","2008-10-14","water",""],["GTF","2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)","C9 H14 F2 N3 O13 P3","FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP(OP(O)(=O)OP(O)(O)=O)(O)=O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)C2(F)F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F","InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1","Gemcitabine-TRIPHOSPHATE","2010-04-12","2020-06-17","2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)",""],["GTG","7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE","C21 H30 N10 O18 P3","O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N;C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N)[CH](O)[CH]2O)c6N=C(N)NC(=O)c16;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O","InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","MRNA CAP ANALOG N7-METHYL GPPPG","2002-11-04","2020-06-17","2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)",""],["GTH","3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]","C18 H32 N2 O13","O=C(O)C(N)C(OC2OC(C(O)C(OC1OC(C(O)C(O)C1O)CO)C2NC(=O)C)CO)C;C[CH](O[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1NC(C)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C","InChI=1S/C18H32N2O13/c1-5(9(19)16(28)29)30-17-10(20-6(2)23)15(12(25)8(4-22)31-17)33-18-14(27)13(26)11(24)7(3-21)32-18/h5,7-15,17-18,21-22,24-27H,3-4,19H2,1-2H3,(H,20,23)(H,28,29)/t5-,7-,8-,9+,10-,11+,12+,13+,14-,15-,17-,18+/m1/s1","GLYCOSYLATED THREONINE","1999-07-08","2020-07-03","(2S,3R)-3-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)",""],["GTI","1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine","C12 H14 N4 S","n1c(snc1c2ccccc2)N3CCNCC3;C1CN(CCN1)c2snc(n2)c3ccccc3;c1ccc(cc1)c2nc(sn2)N3CCNCC3","InChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2","","2011-09-30","2012-10-19","1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine","2012-10-19"],["GTJ","~{N}-(1-propylbenzimidazol-2-yl)propanamide","C13 H17 N3 O","CCCn1c(NC(=O)CC)nc2ccccc12;CCCn1c2ccccc2nc1NC(=O)CC","InChI=1S/C13H17N3O/c1-3-9-16-11-8-6-5-7-10(11)14-13(16)15-12(17)4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17)","","2018-06-01","2019-04-05","~{N}-(1-propylbenzimidazol-2-yl)propanamide","2019-04-10"],["GTK","beta-D-galactofuranuronic acid","C6 H10 O7","O=C(O)C(O)C1OC(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH]1O)[CH](O)C(O)=O;C1(C(C(OC1C(C(=O)O)O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m1/s1","beta-D-galacturonic acid; D-galacturonic acid; galacturonic acid","2011-08-15","2020-07-17","beta-D-galactofuranuronic acid",""],["GTL","(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE","C6 H12 N2 O5","OC1C(O)C(O)C(=NO)NC1CO;OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(=NO)N1)O)O)O)O","InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1","D-GALACTOHYDROXIMO-1,5-LACTAM","2004-02-11","2021-03-13","(2Z,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime",""],["GTM","methyl 4-thio-beta-D-glucopyranoside","C7 H14 O5 S","OC1C(O)C(S)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](S)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)S)O)O","InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7-/m1/s1","O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUCOSE; methyl 4-thio-beta-D-glucoside; methyl 4-thio-D-glucoside; methyl\n4-thio-glucoside","2003-02-07","2020-07-17","methyl 4-thio-beta-D-glucopyranoside",""],["GTN","PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER","C10 H17 N6 O13 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1/f/h14-15,20-21,23,25H,11H2","","1999-07-08","2008-10-14","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine",""],["GTO","PHOSPHOMETHYLPHOSPHONIC ACID-GUANYLATE ESTER","C11 H18 N5 O13 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1/f/h15,20-21,23,25H,12H2","","1999-07-08","2008-10-14","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine",""],["GTP","GUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2013-03-22","guanosine 5'-(tetrahydrogen triphosphate)",""],["GTQ","2,5-dihydroxybenzoic acid","C7 H6 O4","O=C(O)c1cc(O)ccc1O;OC(=O)c1cc(O)ccc1O;c1cc(c(cc1O)C(=O)O)O","InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)","","2009-09-17","2011-06-04","2,5-dihydroxybenzoic acid",""],["GTR","beta-D-galactopyranuronic acid","C6 H10 O7","C1(C(C(C(C(C(=O)O)O1)O)O)O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1","beta-D-galacturonic acid; D-galacturonic acid; galacturonic acid","2001-11-15","2020-07-17","beta-D-galactopyranuronic acid",""],["GTS","GLUTATHIONE SULFONIC ACID","C10 H17 N3 O9 S","O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-3-sulfo-L-alanylglycine",""],["GTT","GLUTATHIONE","C10 H18 N3 O6 S","O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS;[NH3+][CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)[NH3+]","InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1","","1999-07-08","2012-04-10","N-[(4S)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine",""],["GTU","N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","C20 H16 F N5 O2","CC#C[C]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC#CC1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C20H16FN5O2/c1-2-7-20(8-9-28-19(23)26-20)15-10-14(4-5-16(15)21)25-18(27)17-6-3-13(11-22)12-24-17/h3-6,10,12H,8-9H2,1H3,(H2,23,26)(H,25,27)/t20-/m0/s1","","2020-09-24","2021-03-26","~{N}-[3-[(4~{R})-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","2021-03-31"],["GTV","[(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","C12 H13 O5 P","Cc2cc(C)c1C(CP(O)(O)=O)=CC(=O)Oc1c2;Cc1cc(C)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O;Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C","InChI=1S/C12H13O5P/c1-7-3-8(2)12-9(6-18(14,15)16)5-11(13)17-10(12)4-7/h3-5H,6H2,1-2H3,(H2,14,15,16)","","2018-04-17","2019-04-12","[(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","2019-04-17"],["GTW","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide","C32 H49 N5 O5 S2","CC(C)C[CH](NC(=O)c1sc(C)nc1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CC[S](C)(=O)=O)Cc3ccc(CN)cc3;Cc1ncc(s1)C(=O)NC(CC(C)C)C(=O)NC(CC2CCCCC2)C(=O)NC(CCS(=O)(=O)C)Cc3ccc(cc3)CN","InChI=1S/C32H49N5O5S2/c1-21(2)16-27(37-32(40)29-20-34-22(3)43-29)31(39)36-28(18-23-8-6-5-7-9-23)30(38)35-26(14-15-44(4,41)42)17-24-10-12-25(19-33)13-11-24/h10-13,20-21,23,26-28H,5-9,14-19,33H2,1-4H3,(H,35,38)(H,36,39)(H,37,40)/t26-,27+,28+/m1/s1","","2018-10-09","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide","2019-01-30"],["GTX","S-HEXYLGLUTATHIONE","C16 H30 N3 O6 S","O=C(O)CNC(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC;CCCCCCSC[CH](NC(=O)CC[CH]([NH3+])C(O)=O)C(=O)NCC(O)=O;CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]","InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12-/m0/s1","","1999-07-08","2011-06-04","N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-hexyl-L-cysteinylglycine",""],["GTY","L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE","C18 H33 N3 O6 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCCCCCCC;CCCCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1","S-OCTYLGLUTATHIONE","2004-08-09","2020-06-17","L-gamma-glutamyl-S-octyl-L-cysteinylglycine",""],["GTZ","(5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7,8-TRIHYDROXY-TETRAZOLO[1,5-A]PIPERIDINE","C6 H10 N4 O4","n1nnn2c1C(O)C(O)C(O)C2CO;OC[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12;C(C1C(C(C(c2n1nnn2)O)O)O)O","InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3+,4+,5-/m1/s1","","2001-10-02","2012-12-21","(5R,6S,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6,7,8-triol",""],["GU0","2,3,6-tri-O-sulfonato-beta-D-glucopyranose","C6 H9 O15 S3","[O-]S(=O)(=O)OCC1OC(O)C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1O;O[CH]1O[CH](CO[S]([O-])(=O)=O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH]1O[S]([O-])(=O)=O;C(C1C(C(C(C(O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-]","InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/p-3/t2-,3-,4+,5-,6-/m1/s1","2,3,6-tri-O-sulfonato-beta-D-glucose; 2,3,6-tri-O-sulfonato-D-glucose; 2,3,6-tri-O-sulfonato-glucose","2004-06-22","2020-07-17","2,3,6-tri-O-sulfonato-beta-D-glucopyranose",""],["GU1","2,3-di-O-methyl-beta-D-glucopyranuronic acid","C8 H14 O7","O=C(O)C1OC(O)C(OC)C(OC)C1O;CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O;COC1C(C(OC(C1OC)O)C(=O)O)O","InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3-,4-,5-,6+,8+/m0/s1","2,3-di-O-methyl-beta-D-glucuronic acid; 2,3-di-O-methyl-D-glucuronic acid; 2,3-di-O-methyl-glucuronic acid","2004-06-22","2020-07-17","2,3-di-O-methyl-beta-D-glucopyranuronic acid",""],["GU2","2,3-di-O-methyl-alpha-L-idopyranuronic acid","C8 H14 O7","O=C(O)C1OC(O)C(OC)C(OC)C1O;CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O;COC1C(C(OC(C1OC)O)C(=O)O)O","InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3?,4-,5+,6+,8+/m0/s1","2,3-di-O-methyl-alpha-L-iduronic acid; 2,3-di-O-methyl-L-iduronic acid; 2,3-di-O-methyl-iduronic acid","2004-06-22","2020-07-17","2,3-di-O-methyl-alpha-L-idopyranuronic acid",""],["G","GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2024-09-27","5'-guanylic acid",""],["GU3","methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside","C8 H16 O12 S2","O=S(=O)(O)OCC1OC(OC)C(OS(=O)(=O)O)C(OC)C1O;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](OC)[CH]1O[S](O)(=O)=O;COC1C(C(OC(C1OS(=O)(=O)O)OC)COS(=O)(=O)O)O","InChI=1S/C8H16O12S2/c1-16-6-5(9)4(3-18-21(10,11)12)19-8(17-2)7(6)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1","methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucoside; methyl 3-O-methyl-2,6-di-O-sulfo-D-glucoside; methyl\n3-O-methyl-2,6-di-O-sulfo-glucoside","2004-06-22","2020-07-17","methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside",""],["GU4","2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose","C6 H12 O18 S4","OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1","2,3,4,6-tetra-O-sulfonato-alpha-D-glucose; 2,3,4,6-tetra-O-sulfonato-D-glucose; 2,3,4,6-tetra-O-sulfonato-glucose","2004-06-22","2020-07-17","2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose",""],["GU5","2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose","C8 H15 O9 S","[O-]S(=O)(=O)OCC1OC(O)C(OC)C(OC)C1O;CO[CH]1[CH](O)O[CH](CO[S]([O-])(=O)=O)[CH](O)[CH]1OC;COC1C(C(OC(C1OC)O)COS(=O)(=O)[O-])O","InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/p-1/t4-,5?,6+,7-,8+/m1/s1","2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucose; 2,3-di-O-methyl-6-O-sulfonato-D-glucose;\n2,3-di-O-methyl-6-O-sulfonato-glucose","2004-06-22","2020-07-17","2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose",""],["GU6","2,3,6-tri-O-sulfo-alpha-D-glucopyranose","C6 H12 O15 S3","C1(C(C(OS(=O)(O)=O)C(O)C(COS(=O)(O)=O)O1)OS(O)(=O)=O)O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O","InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4+,5-,6+/m1/s1","2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSE; 2,3,6-tri-O-sulfo-alpha-D-glucose; 2,3,6-tri-O-sulfo-D-glucose;\n2,3,6-tri-O-sulfo-glucose","2004-06-22","2020-07-17","2,3,6-tri-O-sulfo-alpha-D-glucopyranose",""],["GU7","2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE","C10 H16 N6 O3","O=C2c1c(ncn1CCNC(CO)CO)N=C(N2)N;NC1=Nc2ncn(CCNC(CO)CO)c2C(=O)N1;c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N","InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19)","","2000-09-28","2011-06-04","2-amino-7-(2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}ethyl)-1,7-dihydro-6H-purin-6-one",""],["GU8","2,3,6-tri-O-methyl-beta-D-glucopyranose","C9 H18 O6","O(C)C1C(OC)C(O)C(OC1O)COC;COC[CH]1O[CH](O)[CH](OC)[CH](OC)[CH]1O;COCC1C(C(C(C(O1)O)OC)OC)O","InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9-/m1/s1","2,3,6-tri-O-methyl-beta-D-glucose; 2,3,6-tri-O-methyl-D-glucose; 2,3,6-tri-O-methyl-glucose","2004-06-22","2020-07-17","2,3,6-tri-O-methyl-beta-D-glucopyranose",""],["GU9","2,3,6-tri-O-methyl-alpha-D-glucopyranose","C9 H18 O6","O(C)C1C(OC)C(O)C(OC1O)COC;COC[CH]1O[CH](O)[CH](OC)[CH](OC)[CH]1O;COCC1C(C(C(C(O1)O)OC)OC)O","InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9+/m1/s1","2,3,6-tri-O-methyl-alpha-D-glucose; 2,3,6-tri-O-methyl-D-glucose; 2,3,6-tri-O-methyl-glucose","2004-06-22","2020-07-17","2,3,6-tri-O-methyl-alpha-D-glucopyranose",""],["GUA","GLUTARIC ACID","C5 H8 O4","O=C(O)CCCC(=O)O;OC(=O)CCCC(O)=O;C(CC(=O)O)CC(=O)O","InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)","","1999-07-08","2024-09-27","pentanedioic acid",""],["GUB","9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine","C18 H21 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NCCc4ccccc4;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCc4ccccc4)ncnc23;c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14+,15+,18+/m0/s1","","2009-04-10","2011-06-04","9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine",""],["GUC","N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide","C23 H18 F2 N6 O","Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)Cc4c(F)nccc4C(=N3)N)C#N;Cc1cc(cnc1C(=O)Nc2ccc(c(c2)C3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N","InChI=1S/C23H18F2N6O/c1-12-7-13(10-26)11-29-19(12)22(32)30-14-3-4-18(24)17(8-14)23(2)9-16-15(21(27)31-23)5-6-28-20(16)25/h3-8,11H,9H2,1-2H3,(H2,27,31)(H,30,32)/t23-/m0/s1","","2020-09-24","2021-07-23","~{N}-[3-[(3~{S})-1-azanyl-5-fluoranyl-3-methyl-4~{H}-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide","2021-07-28"],["GUD","GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE","C15 H24 N2 O17 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1","","1999-07-08","2013-05-07","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["GUE","5,10-Methenyltetrahydrofolate","C20 H22 N7 O6","NC1=NC(=O)C2=C(NC[CH]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C([N+]3=C2)C(=O)N=C(N4)N","InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12-,13+/m1/s1","","2018-10-09","2019-01-04","(2~{S})-2-[[4-[(6~{a}~{R})-3-azanyl-1-oxidanylidene-5,6,6~{a},7-tetrahydro-4~{H}-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]carbonylamino]pentanedioic acid","2019-01-09"],["GUF","2-deoxy-2-fluoro-beta-D-glucopyranuronic acid","C6 H9 F O6","FC1C(O)C(O)C(OC1O)C(=O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O;C1(C(C(OC(C1F)O)C(=O)O)O)O","InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1","2-deoxy-2-fluoro-beta-glucuronide; 2-deoxy-2-fluoro-beta-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid;\n2-deoxy-2-fluoro-glucuronic acid","2012-02-02","2020-07-17","2-deoxy-2-fluoro-beta-D-glucopyranuronic acid",""],["GUG","~{N}-propan-2-ylquinoline-2-carboxamide","C13 H14 N2 O","CC(C)NC(=O)c1ccc2ccccc2n1;CC(C)NC(=O)c1ccc2ccccc2n1","InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16)","","2018-06-01","2019-04-05","~{N}-propan-2-ylquinoline-2-carboxamide","2019-04-10"],["GUH","Mo6 cluster","H20 Mo6 O26","O[Mo]1(O)(O)(O)[O+]2[Mo](O)(O)(O)(O)[O+]3[Mo]4(O)(O)(O)O[Mo]5(O)(O)(O)(O)[O+]6[Mo](O)(O)(O)(O)[O+]1[Mo]236(O)[O+]45;O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O","InChI=1S/6Mo.20H2O.6O/h;;;;;;20*1H2;;;;;;/q+1;+3;4*+4;;;;;;;;;;;;;;;;;;;;;;5*+1/p-20","","2018-10-24","2018-11-09","","2018-11-14"],["GUI","5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE","C30 H40 Cl N7 O3 S","O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3ccc(cc3OC)N5CCC(N4CCN(CC4)C)CC5)C(C)C;COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5;CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl","InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)","4-[1-(4-{[5-CHLORO-4-({2-[(1-METHYLETHYL)SULFONYL]PHENYL}AMINO)PYRIMIDIN-2-YL]AMINO}-3-METHOXYPHENYL)PIPERIDIN-4-YL]-1-METHYLPIPERAZIN-1-IUM","2010-04-08","2021-03-01","5-chloro-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N~4~-{2-[(1-methylethyl)sulfonyl]phenyl}pyrimidine-2,4-diamine",""],["GUJ","3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine","C17 H17 N3 O S","c3(nnc4COCc1c(sc(c1Cc2ccccc2)C)n34)C;Cc1sc2n3c(C)nnc3COCc2c1Cc4ccccc4;Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4","InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3","","2018-06-01","2019-04-12","3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine","2019-04-17"],["GUK","6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine","C16 H15 Cl N6","CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3;CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl","InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)","","2018-10-10","2019-02-22","6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine","2019-02-27"],["GUL","(2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol","C6 H10 F2 O5","FC1OC(F)(C(O)C(O)C1O)CO;OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O;C(C1(C(C(C(C(O1)F)O)O)O)F)O","InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5?,6+/m1/s1","5-FLUORO-BETA-L-GULOSYL FLUORIDE","2003-09-03","2024-09-27","(2R,3S,4R,5S,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)",""],["GUM","4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE","C26 H34 N2 O13","O=C(NC4C(O)C(O)C(OC4OC3C(OC(Oc1cc2OC(=O)C=C(c2cc1)C)C(NC(=O)C)C3O)CO)CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO)Oc3ccc4C(=CC(=O)Oc4c3)C;CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)NC(=O)C","InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1","4-METHYLUMBELLIFERYL CHITOBIOSE","1999-07-08","2020-06-17","4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside",""],["GUN","GUANINE","C5 H5 N5 O","O=C1c2ncnc2N=C(N1)N;NC1=Nc2[nH]cnc2C(=O)N1;c1[nH]c2c(n1)C(=O)NC(=N2)N","InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)","","1999-07-08","2011-06-04","2-amino-1,9-dihydro-6H-purin-6-one",""],["GUO","[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C15 H25 N5 O15 P2","NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N=CN[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N=CNC3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N","InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2015-02-05","2015-08-28","[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2015-09-02"],["GUP","alpha-L-gulopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6+/m0/s1","alpha-L-gulose; L-gulose; gulose; ALPHA-L-GULOPYRANOSIDE","1999-07-16","2020-07-17","alpha-L-gulopyranose",""],["GUQ","3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione","C18 H13 N3 O3 S","COc1ccccc1C2=C(Nc3sc4ccccc4n3)C(=O)NC2=O;COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3","InChI=1S/C18H13N3O3S/c1-24-12-8-4-2-6-10(12)14-15(17(23)21-16(14)22)20-18-19-11-7-3-5-9-13(11)25-18/h2-9H,1H3,(H2,19,20,21,22,23)","","2018-10-10","2018-10-12","3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione","2018-10-17"],["GUR","GLYCOLURIL","C4 H6 N4 O2","O=C1NC2NC(=O)NC2N1;O=C1N[CH]2NC(=O)N[CH]2N1;C12C(NC(=O)N1)NC(=O)N2","InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H","","1999-07-08","2008-10-14","cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",""],["GUS","(E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine","C11 H14 N4 O3","C[CH](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O;CC(C(=O)O)N=Cc1cc(ccc1O)NC(=N)N","InChI=1S/C11H14N4O3/c1-6(10(17)18)14-5-7-4-8(15-11(12)13)2-3-9(7)16/h2-6,16H,1H3,(H,17,18)(H4,12,13,15)/b14-5+/t6-/m0/s1","m-guanidinosalicylidene-L-alanine","2009-12-03","2021-03-01","(2S)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]propanoic acid",""],["GUT","~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide","C28 H30 N6 O2","CCN1C=Nc2[nH]c(c3ccc(cc3)N4CCN(C)CC4)c(c5cccc(NC(=O)C=C)c5)c2C1=O;CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O","InChI=1S/C28H30N6O2/c1-4-23(35)30-21-8-6-7-20(17-21)24-25-27(29-18-33(5-2)28(25)36)31-26(24)19-9-11-22(12-10-19)34-15-13-32(3)14-16-34/h4,6-12,17-18,31H,1,5,13-16H2,2-3H3,(H,30,35)","","2018-10-11","2024-09-27","~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide","2019-10-23"],["GUU","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide","C19 H27 N5 O5 S","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](C)(=O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C","InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)","","2022-01-03","2022-02-04","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide","2022-02-09"],["GUV","1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea","C13 H14 N4 O","CNC(=O)Nc1cccc(c1)c2ccnc(C)n2;Cc1nccc(n1)c2cccc(c2)NC(=O)NC","InChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18)","","2018-06-01","2019-04-05","1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea","2019-04-10"],["GUW","~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide","C16 H14 N4 O2","COc1ncnc2[nH]cc(c3cccc(NC(=O)C=C)c3)c12;COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C","InChI=1S/C16H14N4O2/c1-3-13(21)20-11-6-4-5-10(7-11)12-8-17-15-14(12)16(22-2)19-9-18-15/h3-9H,1H2,2H3,(H,20,21)(H,17,18,19)","","2018-10-11","2024-09-27","~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide","2019-10-23"],["GUX","(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid","C15 H26 N4 O5","O[CH]1[CH](O)[CH]2[CH]([CH]([CH]1O)C(O)=O)N2CCCCCCCCN=[N+]=[N-];C(CCCCN1C2C1C(C(C(C2C(=O)O)O)O)O)CCCN=[N+]=[N-]","InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-8-19-10-9(15(23)24)12(20)14(22)13(21)11(10)19/h9-14,20-22H,1-8H2,(H,23,24)/t9-,10+,11+,12+,13-,14-,19-/m0/s1","","2016-06-02","2019-10-16","(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-(8-azidooctyl)-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid","2017-05-31"],["GUY","~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide","C9 H11 N5 O2","CCCn1nnnc1NC(=O)c2occc2;CCCn1c(nnn1)NC(=O)c2ccco2","InChI=1S/C9H11N5O2/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)","","2018-06-01","2018-10-05","~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide","2018-10-10"],["GUZ","2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid","C6 H9 F O6","FC1C(O)C(O)C(OC1O)C(=O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O;C1(C(C(OC(C1F)O)C(=O)O)O)O","InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m1/s1","2-deoxy-2-fluoro-alpha-glucuronide; 2-deoxy-2-fluoro-alpha-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid;\n2-deoxy-2-fluoro-glucuronic acid","2012-02-08","2024-09-27","2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid",""],["GV0","golvatinib ","C33 H37 F2 N7 O4","C1CN(C)CCN1C2CCN(CC2)C(Nc3nccc(c3)Oc4ccc(c(c4)F)NC(C5(CC5)C(Nc6ccc(cc6)F)=O)=O)=O;CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn3;CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F","InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)","","2016-02-21","2016-11-04","N~1~-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'~1~-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2016-11-09"],["GV1","~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine","C10 H13 N3 S","CN(C)c1ncnc2sc(C)c(C)c12;Cc1c(sc2c1c(ncn2)N(C)C)C","InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3","","2018-06-01","2018-10-05","~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine","2018-10-10"],["GV2","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide","C28 H26 N6 O2","Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)NC5CCOCC5)cc6nccnc36;Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6","InChI=1S/C28H26N6O2/c1-34-11-5-18-2-3-19(14-26(18)34)23-15-21(16-24-27(23)31-10-9-30-24)32-25-17-29-8-4-22(25)28(35)33-20-6-12-36-13-7-20/h2-5,8-11,14-17,20,32H,6-7,12-13H2,1H3,(H,33,35)","","2018-10-11","2018-11-09","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide","2018-11-14"],["GV3","5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine","C20 H26 N8 O3 S","N=C(Nc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCNC(=N)Nc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)NC(=N)NCCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C20H26N8O3S/c21-17-14-18(25-10-24-17)28(11-26-14)19-16(30)15(29)13(31-19)9-32-8-4-7-23-20(22)27-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,29-30H,4,7-9H2,(H2,21,24,25)(H3,22,23,27)/t13-,15-,16-,19-/m1/s1","","2023-05-01","2024-04-19","5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine","2024-04-24"],["GV4","2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide","C9 H12 N4 O","Cn1nc(C)c(NC(=O)CC#N)c1C;Cc1c(c(n(n1)C)C)NC(=O)CC#N","InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)","","2018-06-01","2019-04-05","2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide","2019-04-10"],["GV5","8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine","C22 H21 N5 O2 S","CN(C)c1cccc(c1)c2cc(Nc3cnccc3[S](C)(=O)=O)cc4nccnc24;CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C","InChI=1S/C22H21N5O2S/c1-27(2)17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(3,28)29/h4-14,26H,1-3H3","","2018-10-11","2018-11-09","8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine","2018-11-14"],["GV6","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S,3S)-2-azanyl-3-methyl-pentanoate","C16 H25 N6 O8 P","CC[CH](C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCC(C)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C16H25N6O8P/c1-3-7(2)9(17)16(25)30-31(26,27)28-4-8-11(23)12(24)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H,26,27)(H2,18,19,20)/t7-,8+,9-,11+,12+,15+/m0/s1","","2020-09-29","2021-02-19","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{S})-2-azanyl-3-methyl-pentanoate","2021-02-24"],["GV7","4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol","C12 H11 N5 O","n12c(cc(C)nc1ncn2)Nc3ccc(O)cc3;Cc1cc(Nc2ccc(O)cc2)n3ncnc3n1;Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O","InChI=1S/C12H11N5O/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(18)5-3-9/h2-7,16,18H,1H3","","2018-06-01","2019-11-12","4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol","2019-04-10"],["GV8","8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine","C23 H18 N4 O3 S","Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35;Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C","InChI=1S/C23H18N4O3S/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3","","2018-10-11","2018-11-09","8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine","2018-11-14"],["GV9","3-(acetylamino)thiophene-2-carboxylic acid","C7 H7 N O3 S","O=C(Nc1c(scc1)C(=O)O)C;CC(=O)Nc1ccsc1C(O)=O;CC(=O)Nc1ccsc1C(=O)O","InChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)","","2009-04-01","2011-06-04","3-(acetylamino)thiophene-2-carboxylic acid",""],["GVA","5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID","C6 H13 N3 O2","O=C(O)CCCCNC(=[N@H])N;NC(=N)NCCCCC(O)=O;[H]N=C(N)NCCCCC(=O)O","InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)","5-GUANIDINOVALERIC ACID","2006-10-12","2021-03-01","5-carbamimidamidopentanoic acid",""],["GVB","(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE","C20 H26 N2 O2","O(c1c(OC)cc(cc1)N3CCC(N)C(c2cccc(c2)C)C3)C;COc1ccc(cc1OC)N2CC[CH](N)[CH](C2)c3cccc(C)c3;Cc1cccc(c1)C2CN(CCC2N)c3ccc(c(c3)OC)OC","InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3/t17-,18-/m0/s1","","2007-02-28","2011-06-04","(3R,4S)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine",""],["GVC","1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID","C10 H7 Cl2 N3 O2","Clc2cc(Cl)cc(n1nc(nc1C)C(=O)O)c2;Cc1nc(nn1c2cc(Cl)cc(Cl)c2)C(O)=O;Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O","InChI=1S/C10H7Cl2N3O2/c1-5-13-9(10(16)17)14-15(5)8-3-6(11)2-7(12)4-8/h2-4H,1H3,(H,16,17)","","2007-03-02","2024-09-27","1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid",""],["GVD","[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE","C22 H19 N7","N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5;N#CCC1C=CC(C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2;c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5","InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1","","2007-03-08","2011-06-04","[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile",""],["GVE","METHYL 4-AMINOBUTANOATE","C5 H11 N O2","O=C(OC)CCCN;COC(=O)CCCN;COC(=O)CCCN","InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3","","2004-10-20","2024-09-27","methyl 4-aminobutanoate",""],["GVF","BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]","C6 H10 O16 P4","O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP(=O)(O)O)(O)O;O[P](O)(=O)Oc1ccc(O[P](O)(O)=O)c(O[P](O)(O)=O)c1O[P](O)(O)=O;c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)","","2007-03-12","2011-06-04","benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]",""],["GVG","3-METHYL-4-PHENYL-1H-PYRAZOLE","C10 H10 N2","n2c(c(c1ccccc1)cn2)C;Cc1n[nH]cc1c2ccccc2;Cc1c(c[nH]n1)c2ccccc2","InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)","","2007-03-19","2011-06-04","3-methyl-4-phenyl-1H-pyrazole",""],["GVH","1H-PYRROLO[2,3-B]PYRIDINE","C7 H6 N2","n1cccc2c1ncc2;[nH]1ccc2cccnc12;c1cc2cc[nH]c2nc1","InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)","","2007-03-15","2011-06-04","1H-pyrrolo[2,3-b]pyridine",""],["GVI","N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE","C13 H13 N5","n1c(c2ncnc2nc1)c3ccc(cc3)CNC;CNCc1ccc(cc1)c2ncnc3[nH]cnc23;CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2","InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)","","2007-03-15","2011-06-04","N-methyl-1-[4-(9H-purin-6-yl)phenyl]methanamine",""],["GVJ","(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE","C18 H15 N5","n1c(c2ncnc2nc1)c3ccc(cc3)C(c4ccccc4)N;N[CH](c1ccccc1)c2ccc(cc2)c3ncnc4[nH]cnc34;c1ccc(cc1)C(c2ccc(cc2)c3c4c([nH]cn4)ncn3)N","InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1","","2007-03-15","2011-06-04","(S)-1-phenyl-1-[4-(9H-purin-6-yl)phenyl]methanamine",""],["GVK","6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE","C22 H20 Cl N5","Clc1ccc(cc1)C5(c4ccc(c3ncnc2c3ncn2)cc4)CCNCC5;Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4ncnc5[nH]cnc45;c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl","InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)","","2007-03-15","2011-06-04","6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine",""],["GVL","O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE","C9 H19 N2 O8 P","O=C(N)C(O)C(COP(=O)(OCC(N)C(=O)O)O)(C)C;CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(N)=O;CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)N)O","InChI=1S/C9H19N2O8P/c1-9(2,6(12)7(11)13)4-19-20(16,17)18-3-5(10)8(14)15/h5-6,12H,3-4,10H2,1-2H3,(H2,11,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1","","2007-03-09","2024-09-27","O-[(R)-{[(3R)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-L-serine",""],["GVM","(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID","C8 H16 O3","O=C(O)CC(O)CC(C)(C)C;CC(C)(C)C[CH](O)CC(O)=O;CC(C)(C)CC(CC(=O)O)O","InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1","","2007-03-15","2011-06-04","(3R)-3-hydroxy-5,5-dimethylhexanoic acid",""],["GVN","(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE","C17 H16 Cl N3","Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN;NC[CH](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3;c1cc(ccc1c2c[nH]nc2)C(CN)c3ccc(cc3)Cl","InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1","","2007-03-19","2011-06-04","(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine",""],["GVO","(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE","C17 H16 Cl N3","Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN;NC[CH](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3;c1cc(ccc1c2c[nH]nc2)C(CN)c3ccc(cc3)Cl","InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1","","2007-03-19","2011-06-04","(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine",""],["GVP","4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE","C20 H20 Cl N3","Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4;Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4c[nH]nc4;c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl","InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)","","2007-03-19","2011-06-04","4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine",""],["GVQ","(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE","C14 H14 Cl N","Clc1ccc(cc1)C(c2ccccc2)CN;NC[CH](c1ccccc1)c2ccc(Cl)cc2;c1ccc(cc1)C(CN)c2ccc(cc2)Cl","InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1","","2007-03-19","2011-06-04","(2R)-2-(4-chlorophenyl)-2-phenylethanamine",""],["GVR","(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide","C23 H20 N2 O4 S","O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4;ONC(=O)[CH](Cc1ccc2ccccc2c1)N[S](=O)(=O)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)CC(C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1","","2007-10-26","2011-06-04","(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide (non-preferred name)",""],["GVS","ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate","C17 H22 N4 O6 S","O=S(=O)(NCC#CC=1C(=NC(=O)N(C=1)C2(COC2)CC(=O)OCC)N)C3CC3;CCOC(=O)CC1(COC1)N2C=C(C#CCN[S](=O)(=O)C3CC3)C(=NC2=O)N;CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3","InChI=1S/C17H22N4O6S/c1-2-27-14(22)8-17(10-26-11-17)21-9-12(15(18)20-16(21)23)4-3-7-19-28(24,25)13-5-6-13/h9,13,19H,2,5-8,10-11H2,1H3,(H2,18,20,23)","","2007-10-30","2011-06-04","ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate",""],["GVT","3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol","C28 H58 O10","O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCC;CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C28H58O10/c1-2-3-4-5-6-7-8-9-11-30-13-15-32-17-19-34-21-23-36-25-27-38-28-26-37-24-22-35-20-18-33-16-14-31-12-10-29/h29H,2-28H2,1H3","","2008-03-15","2011-06-04","3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol",""],["GVU","(2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid","C36 H52 O11","CCCC[C]1(CC[C]2(CC[CH](C)[CH](CC=C(C)C=C[CH](O)[CH](C)C=CC(O)=O)O2)O[CH]1C=CC(C)=CC(O)=O)OC(=O)CCC(O)=O;CCCCC1(CCC2(CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)OC1C=CC(=CC(=O)O)C)OC(=O)CCC(=O)O","InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1","","2020-09-29","2021-02-19","(2~{E},4~{S},5~{S},6~{E},8~{E})-10-[(2~{S},3~{R},6~{S},8~{R},9~{S})-3-butyl-9-methyl-2-[(1~{E},3~{E})-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid","2021-02-24"],["GVV","~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide","C10 H13 N O2","CCC(=O)Nc1ccc(C)cc1O;CCC(=O)Nc1ccc(cc1O)C","InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13)","","2018-06-01","2019-04-05","~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide","2019-04-10"],["GVW","(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C35 H56 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH]4CCCC[CH]4C3)[CH](O)C(C)(C)O)cc1;CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CC2CCC3CCCCC3C2)C(C(C)(C)O)O)NC(=O)CN4CCOCC4","InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-15-17-46-18-16-39)33(42)38-30(20-24-10-13-28(45-4)14-11-24)34(43)37-29(32(41)35(2,3)44)21-25-9-12-26-7-5-6-8-27(26)19-25/h10-11,13-14,23,25-27,29-30,32,41,44H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,27-,29-,30-,32+/m0/s1","","2018-10-11","2024-09-27","(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["GVX","L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine","C19 H26 N4 O6 S2","OC(C(CCC(=O)NC(C(=O)NCC(O)=O)CSC(=S)NCCc1ccccc1)N)=O;N[CH](CCC(=O)N[CH](CSC(=S)NCCc1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)CCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1","","2016-05-05","2016-10-07","L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine","2016-10-12"],["GVY","4-(5-amino-1,3,4-thiadiazol-2-yl)phenol","C8 H7 N3 O S","n2c(c1ccc(cc1)O)sc(N)n2;Nc1sc(nn1)c2ccc(O)cc2;c1cc(ccc1c2nnc(s2)N)O","InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)","","2018-06-01","2019-04-05","4-(5-amino-1,3,4-thiadiazol-2-yl)phenol","2019-04-10"],["GVZ","(2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C35 H56 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)C(C)(C)O)cc1;CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CC2CCCC3C2CCCC3)C(C(C)(C)O)O)NC(=O)CN4CCOCC4","InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-16-18-46-19-17-39)33(42)38-30(20-24-12-14-27(45-4)15-13-24)34(43)37-29(32(41)35(2,3)44)21-26-10-7-9-25-8-5-6-11-28(25)26/h12-15,23,25-26,28-30,32,41,44H,5-11,16-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,28+,29-,30-,32+/m0/s1","","2018-10-11","2024-09-27","(2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["GW0","{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid","C21 H17 F4 N O3 S2","O=C(O)COc3c(cc(SCc1sc(nc1C)c2cc(F)c(cc2)C(F)(F)F)cc3)C;Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F)ccc1OCC(O)=O;Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C","InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)","GW 0742","2011-09-02","2021-03-01","{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid",""],["GW1","(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone","C10 H14 Cl N3 O","Cn1ncc(Cl)c1C(=O)N2CCCCC2;Cn1c(c(cn1)Cl)C(=O)N2CCCCC2","InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3","","2018-06-01","2018-10-05","(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone","2018-10-10"],["GW2","(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C35 H56 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)[CH](C)CO)cc1;CC(CO)C(C(CC1CCCC2C1CCCC2)NC(=O)C(Cc3ccc(cc3)OC)NC(=O)C(C)NC(=O)CN4CCOCC4)O","InChI=1S/C35H56N4O7/c1-23(22-40)33(42)30(20-27-9-6-8-26-7-4-5-10-29(26)27)37-35(44)31(19-25-11-13-28(45-3)14-12-25)38-34(43)24(2)36-32(41)21-39-15-17-46-18-16-39/h11-14,23-24,26-27,29-31,33,40,42H,4-10,15-22H2,1-3H3,(H,36,41)(H,37,44)(H,38,43)/t23-,24+,26+,27+,29-,30+,31+,33+/m1/s1","","2018-10-11","2024-09-27","(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["GW3","7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE","C15 H19 N5","n3c2ccc1c(ccn1C(CC)CC)c2c(nc3N)N;CCC(CC)n1ccc2c1ccc3nc(N)nc(N)c23;CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N","InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)","GW345","1999-07-08","2020-06-17","7-(1-ethylpropyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine",""],["GW4","N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE","C36 H35 N3 O4","O=C(c1ccccc1)c2ccccc2NC(CNC(=O)C)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5;CC(=O)NC[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)Nc4ccccc4C(=O)c5ccccc5;Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5","InChI=1S/C36H35N3O4/c1-25-33(39-36(43-25)29-13-7-4-8-14-29)21-22-42-31-19-17-27(18-20-31)23-30(24-37-26(2)40)38-34-16-10-9-15-32(34)35(41)28-11-5-3-6-12-28/h3-20,30,38H,21-24H2,1-2H3,(H,37,40)/t30-/m0/s1","","2007-05-01","2011-06-04","N-[(2S)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-{[2-(phenylcarbonyl)phenyl]amino}propyl]acetamide",""],["GW5","(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID","C25 H22 O2","O=C(O)C=Cc3ccc(C(=C(/c1ccccc1)CC)c2ccccc2)cc3;CCC(c1ccccc1)=C(c2ccccc2)c3ccc(C=CC(O)=O)cc3;CCC(=C(c1ccccc1)c2ccc(cc2)C=CC(=O)O)c3ccccc3","InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-","GW5638; DPC 974","2003-10-15","2020-05-27","(2E)-3-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenyl}prop-2-enoic acid",""],["GW6","(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan\ndrosta-1,4-dien-17-yl furan-2-carboxylate","C27 H29 F3 O6 S","O=C(SCF)C5(OC(=O)c1occc1)C4(C)CC(O)C3(F)C2(C=CC(=O)C=C2C(F)CC3C4CC5C)C;C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(OC(=O)c5occc5)C(=O)SCF;CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F","InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1","Fluticasone furoate","2008-03-21","2020-06-17","(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate",""],["GW7","N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine","C21 H17 Cl F N3 O S","Fc1cccc(c1)COc2ccc(cc2Cl)Nc4ncnc3c4sc(c3)CC;CCc1sc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2c1;CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F","InChI=1S/C21H17ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h3-10,12H,2,11H2,1H3,(H,24,25,26)","","2007-10-01","2024-09-27","N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine",""],["GW8","1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea","C32 H36 N8 O4 S","O=C(N1CCN(C)CC1)c5cccc(NC(=O)Nc4ccc(N(c2nc(ncc2)Nc3ccc(cc3)CS(=O)(=O)C)C)cc4)c5;CN1CCN(CC1)C(=O)c2cccc(NC(=O)Nc3ccc(cc3)N(C)c4ccnc(Nc5ccc(C[S](C)(=O)=O)cc5)n4)c2;CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C","InChI=1S/C32H36N8O4S/c1-38-17-19-40(20-18-38)30(41)24-5-4-6-27(21-24)36-32(42)35-26-11-13-28(14-12-26)39(2)29-15-16-33-31(37-29)34-25-9-7-23(8-10-25)22-45(3,43)44/h4-16,21H,17-20,22H2,1-3H3,(H,33,34,37)(H2,35,36,42)","GW830263A","2012-03-30","2021-03-01","1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea",""],["GW9","2-chloro-5-nitro-N-phenylbenzamide","C13 H9 Cl N2 O3","O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2ccccc2;[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]","InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)","","2008-09-18","2024-09-27","2-chloro-5-nitro-N-phenylbenzamide",""],["GWA","~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide","C11 H14 N2 O3","COCC(=O)Nc1cccc(NC(C)=O)c1;CC(=O)Nc1cccc(c1)NC(=O)COC","InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)","","2018-06-01","2019-04-05","~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide","2019-04-10"],["GWB","4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE","C17 H16 F N O2","Fc3ccc2c(C(OC#CC1CC1)=C(C(=O)N2)C(C)C)c3;CC(C)C1=C(OC#CC2CC2)c3cc(F)ccc3NC1=O;CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3","InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)","","2004-07-22","2011-06-04","4-[(cyclopropylethynyl)oxy]-6-fluoro-3-(1-methylethyl)quinolin-2(1H)-one",""],["GWC","2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine","C16 H13 Cl F N3 O","COc1ccc(cc1)N(C)c2nc(Cl)nc3cccc(F)c23;CN(c1ccc(cc1)OC)c2c3c(cccc3F)nc(n2)Cl","InChI=1S/C16H13ClFN3O/c1-21(10-6-8-11(22-2)9-7-10)15-14-12(18)4-3-5-13(14)19-16(17)20-15/h3-9H,1-2H3","","2022-05-18","2023-05-12","2-chloranyl-5-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine","2023-05-17"],["GWD","(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one","C15 H8 Br2 I N O2","Brc1cc(cc(Br)c1O)C=C3/c2cc(I)ccc2NC3=O;Oc1c(Br)cc(cc1Br)C=C2C(=O)Nc3ccc(I)cc23;c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(=O)N2","InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+","","2008-11-04","2011-06-04","(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one",""],["GWE","N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide","C23 H19 Cl F4 N2 O5 S","Clc2cc(c(OCC(=O)Nc1ccc(cc1C)S(O)(O)N)cc2)C(=O)c3cc(F)cc(c3)C(F)(F)F;Cc1cc(ccc1NC(=O)COc2ccc(Cl)cc2C(=O)c3cc(F)cc(c3)C(F)(F)F)[S](N)(O)O;Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O","InChI=1S/C23H19ClF4N2O5S/c1-12-6-17(36(29,33)34)3-4-19(12)30-21(31)11-35-20-5-2-15(24)10-18(20)22(32)13-7-14(23(26,27)28)9-16(25)8-13/h2-10,33-34H,11,29H2,1H3,(H,30,31)","","2008-07-03","2011-06-04","N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide",""],["GWF","Tropifexor","C29 H25 F4 N3 O5 S","OC(=O)c1cc(F)c2nc(sc2c1)N3[CH]4CC[CH]3C[CH](C4)OCc5c(onc5c6ccccc6OC(F)(F)F)C7CC7;c1ccc(c(c1)c2c(c(on2)C3CC3)COC4CC5CCC(C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F","InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+","","2020-09-29","2020-11-27","2-[(1~{R},5~{S})-3-[[5-cyclopropyl-3-[2-(trifluoromethyloxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoranyl-1,3-benzothiazole-6-carboxylic acid","2020-12-02"],["GWG","1-methylindazole-3-carboxamide","C9 H9 N3 O","Cn1nc(C(N)=O)c2ccccc12;Cn1c2ccccc2c(n1)C(=O)N","InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)","","2018-06-01","2018-07-13","1-methylindazole-3-carboxamide","2018-07-18"],["GWH","3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine","C22 H22 F N5 O3 S","O=S(=O)(c1cccc(c1)c4cc(OC(c2cc(F)ccc2N3NC=CN3)C)c(nc4)N)C;C[CH](Oc1cc(cnc1N)c2cccc(c2)[S](C)(=O)=O)c3cc(F)ccc3N4NC=CN4;CC(c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C","InChI=1S/C22H22FN5O3S/c1-14(19-12-17(23)6-7-20(19)28-26-8-9-27-28)31-21-11-16(13-25-22(21)24)15-4-3-5-18(10-15)32(2,29)30/h3-14,26-27H,1-2H3,(H2,24,25)/t14-/m1/s1","","2014-01-17","2014-05-23","3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine","2014-05-28"],["GWI","N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide","C26 H21 Cl2 N3 O6 S","N#Cc1cc(cc(Cl)c1)C(=O)c3cc(Cl)ccc3OCC(=O)Nc2ccc(cc2C)S(=O)(=O)NC(=O)CC;CCC(=O)N[S](=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c3cc(Cl)cc(c3)C#N)c(C)c1;CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl","InChI=1S/C26H21Cl2N3O6S/c1-3-24(32)31-38(35,36)20-5-6-22(15(2)8-20)30-25(33)14-37-23-7-4-18(27)12-21(23)26(34)17-9-16(13-29)10-19(28)11-17/h4-12H,3,14H2,1-2H3,(H,30,33)(H,31,32)","","2008-07-10","2011-06-04","N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide",""],["GWJ","2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide","C23 H17 Cl2 N3 O5 S","N#Cc1cc(cc(Cl)c1)C(=O)c3cc(Cl)ccc3OCC(=O)Nc2ccc(cc2C)S(=O)(=O)N;Cc1cc(ccc1NC(=O)COc2ccc(Cl)cc2C(=O)c3cc(Cl)cc(c3)C#N)[S](N)(=O)=O;Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N","InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)","","2008-07-10","2011-06-04","2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide",""],["GWK","(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C32 H52 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](C)CC3)[CH](O)C(C)(C)O)cc1;CC1CCC(CC1)CC(C(C(C)(C)O)O)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3","InChI=1S/C32H52N4O7/c1-21-6-8-23(9-7-21)18-26(29(38)32(3,4)41)34-31(40)27(19-24-10-12-25(42-5)13-11-24)35-30(39)22(2)33-28(37)20-36-14-16-43-17-15-36/h10-13,21-23,26-27,29,38,41H,6-9,14-20H2,1-5H3,(H,33,37)(H,34,40)(H,35,39)/t21-,22-,23-,26-,27-,29+/m0/s1","","2018-10-11","2024-09-27","(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["GWL","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide","C18 H25 N5 O3","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(N)=O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(N)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N","InChI=1S/C18H25N5O3/c1-2-13-16(17(20)23-18(21)22-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(19)24/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,24)(H4,20,21,22,23)","","2022-01-03","2022-02-04","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide","2022-02-09"],["GWM","(4-methylphenyl) dihydrogen phosphate","C7 H9 O4 P","Cc1ccc(O[P](O)(O)=O)cc1;Cc1ccc(cc1)OP(=O)(O)O","InChI=1S/C7H9O4P/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)","phosphoric acid mono-p-tolyl ester","2016-09-21","2021-03-01","(4-methylphenyl) dihydrogen phosphate","2017-07-12"],["GWN","Mo8 cluster","H15 Mo8 O28","O[Mo]12(O)(O)O[Mo]34(O)(O)O[Mo]567(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O)[O+]8[Mo]%11%12(O)(O[Mo]%13(O)(O)([O+]1[Mo](O)(O5)([O+]23)([O+]46)[O+]%11%13)[O+]%10%12)[O+]79;O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O","InChI=1S/8Mo.15H2O.13O/h;;;;;;;;15*1H2;;;;;;;;;;;;;/q3*+1;3*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;7*+1/p-15","","2018-10-24","2018-11-09","","2018-11-14"],["GWO","(2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid","C19 H23 N O3","N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O","InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1","","2020-09-29","2021-01-22","(2~{R},4~{R},5~{S})-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid","2021-01-27"],["GWP","2-cyclopropyl-1~{H}-imidazole-4-carboxamide","C7 H9 N3 O","NC(=O)c1c[nH]c(n1)C2CC2;c1c(nc([nH]1)C2CC2)C(=O)N","InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)","","2018-06-01","2018-07-13","2-cyclopropyl-1~{H}-imidazole-4-carboxamide","2018-07-18"],["GWQ","Ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine)","C43 H25 N9 Ru","N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru-4]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2c1;c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N","InChI=1S/C19H9N5.2C12H8N2.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;/q;;;+2","","2018-10-12","2019-10-25","","2019-10-30"],["GWR","8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione","C22 H20 Cl2 N4 O4","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(Cl)c4)nc12;CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO","InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3","","2020-09-29","2021-03-26","8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione","2021-03-31"],["GWS","2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide","C13 H18 N2 O","O=C(CC1CCCCC1)Nc2cccnc2;c1cc(cnc1)NC(=O)CC2CCCCC2","InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)","","2018-06-01","2018-07-13","2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide","2018-07-18"],["GWT","(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide","C37 H61 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C[NH+]2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](CC3)C4CCCCC4)[CH](O)C(C)(C)O)cc1;CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CC2CCC(CC2)C3CCCCC3)C(C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4","InChI=1S/C37H60N4O7/c1-25(38-33(42)24-41-18-20-48-21-19-41)35(44)40-32(23-27-12-16-30(47-4)17-13-27)36(45)39-31(34(43)37(2,3)46)22-26-10-14-29(15-11-26)28-8-6-5-7-9-28/h12-13,16-17,25-26,28-29,31-32,34,43,46H,5-11,14-15,18-24H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/p+1/t25-,26-,29-,31-,32-,34+/m0/s1","","2018-10-12","2024-09-27","(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide","2019-01-30"],["GWU","5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine","C23 H33 N9 O4","NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O;NCCCN(CCNC(=O)NCc1ccccc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1ccc(cc1)CNC(=O)NCCN(CCCN)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C23H33N9O4/c24-7-4-9-31(10-8-26-23(35)27-11-15-5-2-1-3-6-15)12-16-18(33)19(34)22(36-16)32-14-30-17-20(25)28-13-29-21(17)32/h1-3,5-6,13-14,16,18-19,22,33-34H,4,7-12,24H2,(H2,25,28,29)(H2,26,27,35)/t16-,18-,19-,22-/m1/s1","","2023-05-01","2024-04-19","5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine","2024-04-24"],["GWV","~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline","C12 H20 N2","CC(C)NCc1ccc(cc1)N(C)C;CC(C)NCc1ccc(cc1)N(C)C","InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3","","2018-06-01","2018-07-13","~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline","2018-07-18"],["GWW","pentakis(oxidanyl)molybdenum","H5 Mo O5","O[Mo](O)(O)(O)O;O[Mo](O)(O)(O)O","InChI=1S/Mo.5H2O/h;5*1H2/q+5;;;;;/p-5","","2018-10-24","2018-11-09","pentakis(oxidanyl)molybdenum","2018-11-14"],["GWX","(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID","C26 H46 N4 O4","CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)NC(=O)N[CH](CCCCN)C(O)=O;CC1(C2CCC1(C(C2)NC(=O)C(CC3CCCCC3)NC(=O)NC(CCCCN)C(=O)O)C)C","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-,19+,20-,21+,26+/m1/s1","","2015-03-27","2015-05-29","(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-oxidanylidene-1-[[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]carbamoylamino]hexanoic acid","2015-06-03"],["GWY","5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine","C10 H14 Cl N3 O","CN(C[CH]1CCOC1)c2ncncc2Cl;CN(CC1CCOC1)c2c(cncn2)Cl","InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m0/s1","","2018-06-01","2018-07-13","5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine","2018-07-18"],["GWZ","(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide","C40 H61 N5 O7","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[CH](O)C(C)(C)O;CC(C)CC(C(C(C)(C)O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCc2ccccc2)NC(=O)CN3CCOCC3","InChI=1S/C40H61N5O7/c1-27(2)23-32(36(47)40(5,6)51)42-39(50)34(25-30-15-11-8-12-16-30)44-38(49)33(24-28(3)4)43-37(48)31(18-17-29-13-9-7-10-14-29)41-35(46)26-45-19-21-52-22-20-45/h7-16,27-28,31-34,36,47,51H,17-26H2,1-6H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,36+/m0/s1","","2018-10-12","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide","2019-01-30"],["GX0","1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole","C19 H20 Cl N3","Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1;c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4","InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2","Clemizole","2020-09-29","2021-03-26","1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole","2021-03-31"],["GX1","2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine","C12 H19 N6 O6 P S","O=P(O)(OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O)NCCS;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)NCCS)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(NCCS)O)O)N=C(NC2=O)N","InChI=1S/C12H19N6O6PS/c13-12-16-10-9(11(20)17-12)14-5-18(10)8-3-6(19)7(24-8)4-23-25(21,22)15-1-2-26/h5-8,19,26H,1-4H2,(H2,15,21,22)(H3,13,16,17,20)/t6-,7+,8+/m0/s1","","2009-09-09","2024-09-27","2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine",""],["GX2","Mo14O47 cluster","H17 Mo14 O47","O[Mo]12O[Mo]345O[Mo]6(O)(O)(O3)O[Mo]78(O1)O[Mo]9(O)(O)(O7)O[Mo]%10%11(O2)O[Mo](O)(O)(O4)(O%10)O[Mo]%12%13%14(O)O[Mo]%15(O)O[Mo]%16(O)(O6)(O[Mo](O)(O)(O5)(O%12)O%13)O[Mo](O)(O)(O8)(O%16)O[Mo]%17(O)(O%15)(O9)O[Mo](O)(O)(O%11)(O%14)O%17;O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O","InChI=1S/14Mo.17H2O.30O/h;;;;;;;;;;;;;;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;5*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-17","","2018-10-26","2018-11-09","","2018-11-14"],["GX3","6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one","C26 H30 Cl2 N6 O4","CNc1ncc2C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl;CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C","InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)","PRN1371","2020-09-30","2022-01-07","6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one","2022-01-12"],["GX4","cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone","C14 H17 F N2 O","Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3;c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F","InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2","","2018-06-01","2018-07-13","cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone","2018-07-18"],["GX5","2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine","C15 H13 Cl N4 O","COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23;CN(c1ccc(cc1)OC)c2c3c(cccn3)nc(n2)Cl","InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3","","2022-05-18","2023-05-12","2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-pyrido[3,2-d]pyrimidin-4-amine","2023-05-17"],["GX6","N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","C23 H18 F3 N5 O2","CC#C[C]1(N=C(N)OCC12CC(F)(F)C2)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F;CC#CC1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N","InChI=1S/C23H18F3N5O2/c1-2-7-23(21(11-22(25,26)12-21)13-33-20(28)31-23)16-8-15(4-5-17(16)24)30-19(32)18-6-3-14(9-27)10-29-18/h3-6,8,10H,11-13H2,1H3,(H2,28,31)(H,30,32)/t23-/m1/s1","","2020-10-01","2021-03-26","~{N}-[3-[(9~{S})-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","2021-03-31"],["GX7","5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione","C10 H15 N3 O2","N1C=C(C(NC1=O)=O)NC2CCCCC2;O=C1NC=C(NC2CCCCC2)C(=O)N1;C1CCC(CC1)NC2=CNC(=O)NC2=O","InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)","","2018-06-01","2018-07-13","5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione","2018-07-18"],["GX8","2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid","C31 H30 N2 O11 S2","COc1ccc(cc1)[S](=O)(=O)N(CC(O)=O)c2ccc(N(CC(O)=O)[S](=O)(=O)c3ccc(OC)cc3)c(OCc4ccccc4)c2;COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C31H30N2O11S2/c1-42-24-9-13-26(14-10-24)45(38,39)32(19-30(34)35)23-8-17-28(29(18-23)44-21-22-6-4-3-5-7-22)33(20-31(36)37)46(40,41)27-15-11-25(43-2)12-16-27/h3-18H,19-21H2,1-2H3,(H,34,35)(H,36,37)","","2018-10-15","2019-10-25","2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid","2019-10-30"],["GXA","5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide","C25 H25 F3 N4 O4","NC(c3c(OC2CCN(C(Cc1ccc(cc1)OC(F)(F)F)=O)CC2)ccc(c3)c4ncn(C)c4)=O;Cn1cnc(c1)c2ccc(OC3CCN(CC3)C(=O)Cc4ccc(OC(F)(F)F)cc4)c(c2)C(N)=O;Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34)","","2018-06-01","2018-07-06","5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide","2018-07-11"],["GXB","Sialylated precision glycomacromolecule","C92 H141 N21 O37","CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)nn2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4;CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)COC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O","InChI=1S/C92H141N21O37/c1-58(116)94-22-32-110(87(135)63-8-4-61(5-9-63)50-112-52-65(106-108-112)56-147-91(89(137)138)48-67(119)81(104-59(2)117)85(149-91)83(133)69(121)54-114)33-24-96-73(125)14-16-75(127)98-26-36-141-42-44-143-38-28-100-77(129)18-20-79(131)102-30-40-145-46-47-146-41-31-103-80(132)21-19-78(130)101-29-39-144-45-43-142-37-27-99-76(128)17-15-74(126)97-25-35-111(34-23-95-72(124)13-12-71(93)123)88(136)64-10-6-62(7-11-64)51-113-53-66(107-109-113)57-148-92(90(139)140)49-68(120)82(105-60(3)118)86(150-92)84(134)70(122)55-115/h4-11,52-53,67-70,81-86,114-115,119-122,133-134H,12-51,54-57H2,1-3H3,(H2,93,123)(H,94,116)(H,95,124)(H,96,125)(H,97,126)(H,98,127)(H,99,128)(H,100,129)(H,101,130)(H,102,131)(H,103,132)(H,104,117)(H,105,118)(H,137,138)(H,139,140)/t67?,68-,69?,70+,81?,82+,83?,84+,85?,86+,91?,92+/m0/s1","","2018-10-15","2025-04-14","(2~{S},4~{R},5~{R},6~{R})-5-acetamido-2-[[1-[[4-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[[4-[[4-[[(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-carboxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]carbonyl-[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]ethyl]amino]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethyl-(2-acetamidoethyl)carbamoyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-4-oxidanyl-6-[(1~{S},2~{S})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2019-03-27"],["GXC","N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide","C19 H27 N5 O5 S","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)NC(C)=O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CC[S](=O)(=O)NC(C)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C","InChI=1S/C19H27N5O5S/c1-3-15-17(18(20)23-19(21)22-15)29-11-6-10-28-16-8-5-4-7-14(16)9-12-30(26,27)24-13(2)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)","","2022-01-03","2022-02-04","N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide","2022-02-09"],["GXD","4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid","C10 H6 Cl2 O4","c1(cccc(Cl)c1C(CC(C(O)=O)=O)=O)Cl;OC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl;c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl","InChI=1S/C10H6Cl2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)","","2018-06-01","2018-08-31","4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid","2018-09-05"],["GXE","benzeneselenol","C6 H6 Se","[SeH]c1ccccc1;c1ccc(cc1)[SeH]","InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H","","2018-10-15","2018-12-21","benzeneselenol","2018-12-26"],["GXF","5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine","C26 H29 Cl N8 O3 S","Clc1ccc(cc1)c1cc(ccc1)NC(=N)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCNC(=N)Nc4cccc(c4)c5ccc(Cl)cc5)[CH](O)[CH]3O;c1cc(cc(c1)NC(=N)NCCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl","InChI=1S/C26H29ClN8O3S/c27-17-7-5-15(6-8-17)16-3-1-4-18(11-16)34-26(29)30-9-2-10-39-12-19-21(36)22(37)25(38-19)35-14-33-20-23(28)31-13-32-24(20)35/h1,3-8,11,13-14,19,21-22,25,36-37H,2,9-10,12H2,(H2,28,31,32)(H3,29,30,34)/t19-,21-,22-,25-/m1/s1","","2023-05-01","2024-04-12","5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine","2024-04-17"],["GXG","4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid","C10 H6 F2 O4","c1(cccc(c1C(CC(C(O)=O)=O)=O)F)F;OC(=O)C(=O)CC(=O)c1c(F)cccc1F;c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F","InChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)","","2018-06-01","2018-08-31","4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid","2018-09-05"],["GXH","3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide","C31 H28 F N5 O3 S","COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(NNc4ccccc4)nc3c5ccc(F)cc5)c1;COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC","InChI=1S/C31H28FN5O3S/c1-39-25-13-14-26(40-2)21(18-25)10-15-28(38)34-27-19-22(16-17-33-27)30-29(20-8-11-23(32)12-9-20)35-31(41-30)37-36-24-6-4-3-5-7-24/h3-9,11-14,16-19,36H,10,15H2,1-2H3,(H,35,37)(H,33,34,38)","","2018-10-16","2019-04-12","3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide","2019-04-17"],["GXI","2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine","C16 H13 Cl F N3 O","COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23;CN(c1ccc(cc1)OC)c2c3ccc(cc3nc(n2)Cl)F","InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(18)9-14(13)19-16(17)20-15/h3-9H,1-2H3","","2022-05-18","2023-05-12","2-chloranyl-7-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine","2023-05-17"],["GXJ","(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid","C19 H26 N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(C)C(=O)O","InChI=1S/C19H26N4O4/c1-3-14-16(17(20)23-19(21)22-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(24)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,24,25)(H4,20,21,22,23)/t12-/m1/s1","","2022-01-03","2022-02-04","(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid","2022-02-09"],["GXK","6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine","C17 H15 Cl N6","Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4;c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2","InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)","","2018-10-16","2019-02-22","6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine","2019-02-27"],["GXL","alpha-L-galactopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m0/s1","alpha-L-galactose; L-galactose; galactose","2005-04-18","2020-07-17","alpha-L-galactopyranose",""],["GXM","(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid","C10 H7 N O6","c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-])=O;OC(=O)C(O)=CC(=O)c1ccccc1[N+]([O-])=O;c1ccc(c(c1)C(=O)C=C(C(=O)O)O)[N+](=O)[O-]","InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-5,13H,(H,14,15)/b9-5-","","2018-06-04","2018-08-31","(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid","2018-09-05"],["GXN","[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate","C19 H23 Br N2 O6 S","COc1cc2CN(CCc2cc1O[S](N)(=O)=O)Cc3cc(Br)c(OC)c(OC)c3;COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N","InChI=1S/C19H23BrN2O6S/c1-25-16-9-14-11-22(5-4-13(14)8-17(16)28-29(21,23)24)10-12-6-15(20)19(27-3)18(7-12)26-2/h6-9H,4-5,10-11H2,1-3H3,(H2,21,23,24)","","2018-10-17","2019-02-22","[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate","2019-02-27"],["GXO","[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate","C40 H51 F4 N5 O9 S","CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6;CCC1CC(CCC=CC2CC2(NC(=O)C3CC(CN3C(=O)C1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C","InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1","","2020-10-06","2020-12-11","[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate","2020-12-16"],["GXP","(4S)-4-hydroxy-2,5-dioxopentanoic acid","C5 H6 O5","O=CC(O)CC(=O)C(=O)O;O[CH](CC(=O)C(O)=O)C=O;C(C(C=O)O)C(=O)C(=O)O","InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1","","2014-01-16","2024-09-27","(4S)-4-hydroxy-2,5-dioxopentanoic acid","2014-12-24"],["GXQ","N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine","C12 H28 N4","NCCCN[CH]1CC[CH](CC1)NCCCN;C1CC(CCC1NCCCN)NCCCN","InChI=1S/C12H28N4/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h11-12,15-16H,1-10,13-14H2/t11-,12-","","2018-10-19","2019-10-25","~{N}1,~{N}4-bis(3-azanylpropyl)cyclohexane-1,4-diamine","2019-10-30"],["GXR","(8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one","C22 H29 Cl O5","C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(Cl)[CH](O)C[C]2(C)[C]1(O)C(=O)CO;CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C","InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1","","2020-10-06","2021-01-29","(8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one","2021-02-03"],["GXS","(4R)-4-hydroxy-2,5-dioxopentanoic acid","C5 H6 O5","O=CC(O)CC(=O)C(=O)O;O[CH](CC(=O)C(O)=O)C=O;C(C(C=O)O)C(=O)C(=O)O","InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m1/s1","","2014-01-16","2024-09-27","(4R)-4-hydroxy-2,5-dioxopentanoic acid","2014-12-24"],["GXT","ethanedial","C2 H2 O2","O=CC=O;O=CC=O;C(=O)C=O","InChI=1S/C2H2O2/c3-1-2-4/h1-2H","","2014-01-16","2014-03-28","ethanedial","2014-04-02"],["GXU","1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione","C20 H19 N4 O3","COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13;Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC","InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1","","2020-10-08","2021-04-16","1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione","2021-04-21"],["GXV","L-glyceraldehyde","C3 H6 O3","OCC(O)C=O;OC[CH](O)C=O;C(C(C=O)O)O","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1","Glyceraldehyde; (2S)-2,3-dihydroxypropanal","2014-03-18","2020-06-29","(2S)-2,3-dihydroxypropanal","2014-12-03"],["GXW","Cu(II)-substituted Wells-Dawson","Cu H2 O61 P2 W17","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[W]78O[Cu]9%10O[W]%11%12O[W]%13%14O[W]%15%16O[W]1(O9)(O%11)O[W](O7)(O4)O[W]%17%18(O[PH]%19%20O[W]%21%22%23O[W]%24(O5)O[W](O2)(O%10)(O8)O[W](O3)(O%12)(O%24)O[W](O%19)(O%13)(O%21)O[W]%25%26(O%22)O[W]%27(O%14)(O%15)O[W](O[W](O6)(O%17)O%23)(O%18)(O%25)[O]%20%26%27)O%16;[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/Cu.2HO4P.17H2O.36O.17W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;2*5H;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+1/p-17","","2018-10-19","2019-10-25","","2019-10-30"],["GXY","4-bromo-2,5-dimethoxyaniline","C8 H10 Br N O2","COc1cc(Br)c(OC)cc1N;COc1cc(Br)c(OC)cc1N;COc1cc(c(cc1Br)OC)N","InChI=1S/C8H10BrNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3","","2018-06-04","2018-08-17","4-bromo-2,5-dimethoxyaniline","2018-08-22"],["GXZ","Ni(II)-substituted Wells-Dawson","H2 Ni O61 P2 W17","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[Ni]78O[W]9%10O[W]%11%12O[W](O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16%17%18O[PH]%19%20O[W]%21(O%11)(O%13)O[W]%22%23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)(O9)O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%22)(O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O%14)O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6;[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/Ni.2HO4P.17H2O.36O.17W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;2*5H;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+1/p-17","","2018-10-19","2019-10-25","","2019-10-30"],["GY0","methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate","C14 H24 O5 S","COC(=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O;CC(CCCC=CC(CC(=O)SCCC(=O)OC)O)O","InChI=1S/C14H24O5S/c1-11(15)6-4-3-5-7-12(16)10-14(18)20-9-8-13(17)19-2/h5,7,11-12,15-16H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+/m1/s1","","2020-10-08","2021-01-22","methyl 3-[(~{E},3~{R},9~{R})-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate","2021-01-27"],["GY1","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C42 H53 N O11","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)OC)C5CCCCC5","InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1","","2022-02-04","2022-11-11","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2022-11-16"],["GY2","2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine","C16 H13 Cl F N3 O","COc1ccc(cc1)N(C)c2nc(Cl)nc3ccc(F)cc23;CN(c1ccc(cc1)OC)c2c3cc(ccc3nc(n2)Cl)F","InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(18)3-8-14(13)19-16(17)20-15/h3-9H,1-2H3","","2022-05-18","2023-05-12","2-chloranyl-6-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine","2023-05-17"],["GY3","8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione","C18 H22 N2 O3","O=C2N3N(C(=O)C2c1c(C=C)cc(cc1CC)C)CCOCC3;CCc1cc(C)cc(C=C)c1C2C(=O)N3CCOCCN3C2=O;CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C","InChI=1S/C18H22N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h4,10-11,16H,1,5-9H2,2-3H3","","2010-11-05","2011-06-04","8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione",""],["GY4","2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","C17 H16 Cl N3 O5","C3(NC(C1CCCN1C(=O)Cc2ccc(Cl)cc2)=NC(=C3O)C(O)=O)=O;OC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)Cc3ccc(Cl)cc3;c1cc(ccc1CC(=O)N2CCCC2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl","InChI=1S/C17H16ClN3O5/c18-10-5-3-9(4-6-10)8-12(22)21-7-1-2-11(21)15-19-13(17(25)26)14(23)16(24)20-15/h3-6,11,23H,1-2,7-8H2,(H,25,26)(H,19,20,24)/t11-/m0/s1","SRI-29775","2017-07-11","2020-06-17","2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","2018-01-03"],["GY5","5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide","C20 H24 N4 O6","N1(CCCC1C2=NC(C(NCCOC)=O)=C(C(N2)=O)O)C(=O)COc3ccccc3;COCCNC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3;COCCNC(=O)C1=C(C(=O)NC(=N1)C2CCCN2C(=O)COc3ccccc3)O","InChI=1S/C20H24N4O6/c1-29-11-9-21-19(27)16-17(26)20(28)23-18(22-16)14-8-5-10-24(14)15(25)12-30-13-6-3-2-4-7-13/h2-4,6-7,14,26H,5,8-12H2,1H3,(H,21,27)(H,22,23,28)/t14-/m0/s1","SRI-29685","2017-06-09","2021-03-01","5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide","2017-12-27"],["GY6","2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide","C24 H22 Cl2 N4 O4","C2(=NC(C(=O)NCCc1ccccc1)=C(O)C(N2)=O)C3CCCN3C(c4c(cccc4Cl)Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)cccc3Cl)C(=O)NCCc4ccccc4;c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)c4c(cccc4Cl)Cl)O","InChI=1S/C24H22Cl2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1","","2017-06-12","2017-12-22","2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide","2017-12-27"],["GY7","2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide","C24 H22 F2 N4 O4","c4(F)c(C(N3CCCC3C1=NC(=C(O)C(N1)=O)C(=O)NCCc2ccccc2)=O)c(ccc4)F;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(F)cccc3F)C(=O)NCCc4ccccc4;c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)c4c(cccc4F)F)O","InChI=1S/C24H22F2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1","SRI-29731","2017-07-11","2021-03-01","2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide","2017-12-27"],["GY8","2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy\nrimidine-4-carboxamide","C24 H21 Cl2 N5 O4","c1(Cl)cncc(c1C(N5CCCC5C=4NC(C(O)=C(C(=O)NC2Cc3c(C2)cccc3)N=4)=O)=O)Cl;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)cncc3Cl)C(=O)NC4Cc5ccccc5C4;c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)c5c(cncc5Cl)Cl)O","InChI=1S/C24H21Cl2N5O4/c25-15-10-27-11-16(26)18(15)24(35)31-7-3-6-17(31)21-29-19(20(32)23(34)30-21)22(33)28-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,10-11,14,17,32H,3,6-9H2,(H,28,33)(H,29,30,34)/t17-/m0/s1","SRI-29928","2017-06-22","2020-06-17","2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2017-12-27"],["GY9","2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","C25 H25 Cl N4 O6","C=2(NC(C(=C(C(=O)NCCOc1ccccc1)N=2)O)=O)C4CCCN4C(COc3c(cccc3)Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)COc3ccccc3Cl)C(=O)NCCOc4ccccc4;c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)COc4ccccc4Cl)O","InChI=1S/C25H25ClN4O6/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1","SRI-29835","2017-06-22","2021-03-01","2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","2018-01-17"],["GYA","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox\no-1,6-dihydropyrimidine-4-carboxamide","C28 H29 Cl N4 O6 S","C3(=O)C(O)=C(C(=O)NC2Cc1cc(OC)c(cc1C2)OC)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O;COc1cc2CC(Cc2cc1OC)NC(=O)C3=C(O)C(=O)NC(=N3)[CH]4CCCN4C(=O)CSc5ccccc5Cl;COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)CSc5ccccc5Cl)O","InChI=1S/C28H29ClN4O6S/c1-38-20-12-15-10-17(11-16(15)13-21(20)39-2)30-27(36)24-25(35)28(37)32-26(31-24)19-7-5-9-33(19)23(34)14-40-22-8-4-3-6-18(22)29/h3-4,6,8,12-13,17,19,35H,5,7,9-11,14H2,1-2H3,(H,30,36)(H,31,32,37)/t19-/m0/s1","SRI-30026","2017-06-28","2020-06-17","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2018-01-03"],["GYB","(8R)-5-(4-amino-3-bromophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide","C19 H19 Br N4 O3","CNC(N3C(Cc2cc1OCOc1cc2C(=N3)c4cc(Br)c(cc4)N)C)=O;CNC(=O)N1N=C(c2ccc(N)c(Br)c2)c3cc4OCOc4cc3C[CH]1C;CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3","InChI=1S/C19H19BrN4O3/c1-10-5-12-7-16-17(27-9-26-16)8-13(12)18(23-24(10)19(25)22-2)11-3-4-15(21)14(20)6-11/h3-4,6-8,10H,5,9,21H2,1-2H3,(H,22,25)/t10-/m1/s1","","2016-08-02","2016-10-25","(8R)-5-(4-amino-3-bromophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide","2016-10-19"],["GYC","[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C14 H15 N3 O4 S","O=C1C(N=C(N1CC(=O)O)C(N)CS)=Cc2ccc(O)cc2;N[CH](CS)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)O","InChI=1S/C14H15N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-5,10,18,22H,6-7,15H2,(H,19,20)/b11-5-/t10-/m0/s1","CHROMOPHORE (CYS-TYR-GLY)","2006-05-30","2024-09-27","[(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["GYD","N~1~-{5-[(3-{[3-(D-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-D-aspartamide","C29 H52 N10 O6","N(C(Cc1c(cc(O)cc1)O)=O)C(C(=O)NCCCCCNCCCNCCCNC(C(N)CCCNC(=N)N)=O)CC(=O)N;N[CH](CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[CH](CC(N)=O)NC(=O)Cc1ccc(O)cc1O;c1cc(c(cc1O)O)CC(=O)NC(CC(=O)N)C(=O)NCCCCCNCCCNCCCNC(=O)C(CCCNC(=N)N)N","InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m1/s1","","2018-06-05","2018-08-17","N~1~-{5-[(3-{[3-(D-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-D-aspartamide","2018-08-22"],["GYE","beta-D-fucofuranose","C6 H12 O5","C[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O;CC(C1C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4-,5+,6-/m1/s1","beta-D-fucose; 6-deoxy-beta-D-galactofuranose; D-fucose; fucose","2018-10-22","2020-07-17","(2~{R},3~{R},4~{R},5~{S})-5-[(1~{R})-1-oxidanylethyl]oxolane-2,3,4-triol","2019-05-01"],["GYF","methyl 3-sulfanylpropanoate","C4 H8 O2 S","COC(=O)CCS;COC(=O)CCS","InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3","","2020-10-08","2021-01-22","methyl 3-sulfanylpropanoate","2021-01-27"],["GYG","(1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol","C11 H22 N4 O8 S","C1(CC(C(C(C(C(O)CO)O)O1)NC(C)=O)NC(N)=N)S(=O)(=O)O;CC(=O)N[CH]1[CH](C[CH](O[CH]1[CH](O)[CH](O)CO)[S](O)(=O)=O)NC(N)=N;CC(=O)NC1C(CC(OC1C(C(CO)O)O)S(=O)(=O)O)NC(=N)N","InChI=1S/C11H22N4O8S/c1-4(17)14-8-5(15-11(12)13)2-7(24(20,21)22)23-10(8)9(19)6(18)3-16/h5-10,16,18-19H,2-3H2,1H3,(H,14,17)(H4,12,13,15)(H,20,21,22)/t5-,6+,7+,8+,9+,10+/m0/s1","(1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol","2017-11-30","2020-07-17","(1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol","2018-03-07"],["GYI","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide","C21 H31 N5 O5 S","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)C(C)C;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](=O)(=O)C(C)C;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C","InChI=1S/C21H31N5O5S/c1-4-16-19(20(22)25-21(23)24-16)31-13-7-12-30-17-9-6-5-8-15(17)10-11-18(27)26-32(28,29)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,26,27)(H4,22,23,24,25)","","2022-01-03","2022-02-04","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide","2022-02-09"],["GYK","(8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide","C19 H20 N4 O3","CC2Cc1cc4c(cc1C(=NN2C(=O)NC)c3ccc(cc3)N)OCO4;CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[CH]1C;CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3","InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)/t11-/m1/s1","","2016-08-01","2016-10-24","(8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide","2016-10-19"],["GYL","N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide","C18 H17 Cl F N5 O","c3(Cl)c(CNc2nc(c1cc(NC(CC)=O)ccc1)nn2)c(ccc3)F;CCC(=O)Nc1cccc(c1)c2n[nH]c(NCc3c(F)cccc3Cl)n2;CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F","InChI=1S/C18H17ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h3-9H,2,10H2,1H3,(H,22,26)(H2,21,23,24,25)","","2016-03-24","2024-09-27","N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide","2018-05-23"],["GYM","(2R)-2,3-dihydroxypropyl tetradecanoate","C17 H34 O4","O=C(OCC(O)CO)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCCCCCCC(=O)OCC(CO)O","InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1","","2009-04-02","2011-06-04","(2R)-2,3-dihydroxypropyl tetradecanoate",""],["GYN","GYMNODIMINE A","C32 H47 N O4","O=C5OC(C3=C(C2C=C(C(O)CCC4OC(C(=CCCC1=NCCCC12CC3)C)C(C)C4)C)C)CC5C;C[CH]1C[CH]2CC[CH](O)C(=C[CH]3C(=C(CC[C]34CCCN=C4CCC=C(C)[CH]1O2)[CH]5C[CH](C)C(=O)O5)C)C;CC1CC2CCC(C(=CC3C(=C(CCC34CCCN=C4CCC=C(C1O2)C)C5CC(C(=O)O5)C)C)C)O","InChI=1S/C32H47NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17,21-22,24,26-28,30,34H,6-7,9-16,18H2,1-5H3/b19-8+,20-17+/t21-,22+,24+,26+,27+,28+,30+,32+/m1/s1","","2009-12-04","2011-06-04","(3S,5S)-5-[(4aR,8aS,9E,11S,14S,16R,17R,18E)-11-hydroxy-8,10,16,18-tetramethyl-3,4,5,6,8a,11,12,13,14,15,16,17,20,21-tetradecahydro-2H-14,17-epoxybenzo[2,3]cyclohexadeca[1,2-b]pyridin-7-yl]-3-methyldihydrofuran-2(3H)-one",""],["GYO","~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide","C18 H17 N3 O2","COc1ccccc1[CH]2C[CH]2NC(=O)c3ccc4nc[nH]c4c3;COc1ccccc1C2CC2NC(=O)c3ccc4c(c3)[nH]cn4","InChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-12(17)13-9-15(13)21-18(22)11-6-7-14-16(8-11)20-10-19-14/h2-8,10,13,15H,9H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m0/s1","","2020-10-09","2021-12-03","~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide","2021-12-08"],["GYP","methyl alpha-D-glucopyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1","METHYL-ALPHA-D-GLUCOPYRANOSIDE; ALPHA-METHYL-D-GLUCOPYRANOSIDE; methyl alpha-D-glucoside; methyl D-glucoside; methyl\nglucoside","2003-03-06","2020-07-17","methyl alpha-D-glucopyranoside",""],["GYQ","2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile","C18 H17 N7 O2","O=C1Nc2cnc(N=C3C=CC=NC3=O)nc2N1[CH]4CC[CH](CC4)CC#N;c1c2c(nc(n1)N=C3C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N","InChI=1S/C18H17N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,23,27)/b22-13+/t11-,12-","","2018-10-24","2019-10-18","2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile","2019-10-23"],["GYR","{(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL","C27 H31 N O4 S","O=S(=O)(c1ccccc1)Cc4cc(cc(OCc2ccc(cc2)CN3C(CCC3)CO)c4)C;Cc1cc(C[S](=O)(=O)c2ccccc2)cc(OCc3ccc(CN4CCC[CH]4CO)cc3)c1;Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCCC3CO)CS(=O)(=O)c4ccccc4","InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1","PF-543","2014-10-05","2021-03-01","{(2R)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol","2014-10-15"],["GYS","[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C14 H15 N3 O5","O=C1C(N=C(N1CC(=O)O)C(N)CO)=Cc2ccc(O)cc2;N[CH](CO)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CO)N)CC(=O)O)O","InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1","CHROMOPHORE (SER-TYR-GLY)","2006-05-30","2024-09-27","[(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["GYT","BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE","C28 H50 N4 O17","O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCCOCCOCCOCCCNC(=O)OC2OC(CO)C(O)C(O)C2NC(=O)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O;CC(=O)NC1C(C(C(OC1OC(=O)NCCCOCCOCCOCCCNC(=O)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)O)O","InChI=1S/C28H50N4O17/c1-15(35)31-19-23(39)21(37)17(13-33)46-25(19)48-27(41)29-5-3-7-43-9-11-45-12-10-44-8-4-6-30-28(42)49-26-20(32-16(2)36)24(40)22(38)18(14-34)47-26/h17-26,33-34,37-40H,3-14H2,1-2H3,(H,29,41)(H,30,42)(H,31,35)(H,32,36)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1","","2007-03-26","2011-06-04","(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (15-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-15-oxo-4,7,10-trioxa-14-azapentadec-1-yl)carbamate (non-preferred name)",""],["GYU","2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose","C12 H22 N2 O7","O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCC;CCCNC(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CCCNC(=O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C","InChI=1S/C12H22N2O7/c1-3-4-13-12(19)21-11-8(14-6(2)16)10(18)9(17)7(5-15)20-11/h7-11,15,17-18H,3-5H2,1-2H3,(H,13,19)(H,14,16)/t7-,8-,9-,10-,11-/m1/s1","2-(ACETYLAMINO)-2-DEOXY-1-O-(PROPYLCARBAMOYL)-ALPHA-D-GLUCOPYRANOSE;\nN-acetyl-1-O-(propylcarbamoyl)-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucose;\n2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-glucose","2007-03-21","2020-07-17","2-(acetylamino)-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose",""],["GYV","2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose","C9 H16 N2 O7","O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC(N)=O;CC(=O)NC1C(C(C(OC1OC(=O)N)CO)O)O","InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1","2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE;\n2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucose;\n2-acetamido-1-O-carbamoyl-2-deoxy-D-glucose;\n2-acetamido-1-O-carbamoyl-2-deoxy-glucose","2010-01-26","2024-09-27","2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose",""],["GYW","3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile","C20 H19 N7 O3","OCCN1C(=O)N(C2CCOCC2)c3nc(ncc13)c4cnc5ccc(cn45)C#N;c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5","InChI=1S/C20H19N7O3/c21-9-13-1-2-17-22-10-15(26(17)12-13)18-23-11-16-19(24-18)27(14-3-7-30-8-4-14)20(29)25(16)5-6-28/h1-2,10-12,14,28H,3-8H2","","2018-10-24","2019-10-18","3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile","2019-10-23"],["GYX","N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide","C27 H31 N3 O2","C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34;CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C","InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1","","2020-10-09","2020-10-30","~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide","2020-11-04"],["GYY","N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide","C22 H34 N4 O","c1cc2ccccc2c(c1)CC(=O)NCCCNCCCCNCCCN;NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12;c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN","InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27)","","2018-06-05","2018-08-17","N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide","2018-08-22"],["GYZ","[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate","C13 H16 N2 O6","C[CH]1OC(=NOC(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(=NOC(=O)Nc2ccccc2)O1)O)O)O","InChI=1S/C13H16N2O6/c1-7-9(16)10(17)11(18)12(20-7)15-21-13(19)14-8-5-3-2-4-6-8/h2-7,9-11,16-18H,1H3,(H,14,19)/b15-12-/t7-,9+,10+,11-/m0/s1","","2018-10-24","2019-02-15","[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate","2019-02-20"],["GZ0","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S},5~{S},6~{S})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","C17 H27 N5 O17 P2","OP(OC1OC(C(C(C1O)O)O)C(O)CO)(=O)OP(=O)(O)OCC2C(O)C(C(O2)n3cnc4c3NC(=NC4=O)N)O;NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)NC(=NC2=O)N","InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5+,7+,8-,9-,10+,11-,12-,15+,16+/m0/s1","","2020-01-31","2020-03-20","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2020-03-25"],["GZ2","3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one","C7 H9 N5 O","O=C2C=C(Nc1nnnn1)CCC2;O=C1CCCC(=C1)Nc2[nH]nnn2;C1CC(=CC(=O)C1)Nc2[nH]nnn2","InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12)","","2009-02-03","2011-06-04","3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one",""],["GZ3","(E)-2-METHYL-3-PHOSPHONOACRYLATE","C4 H7 O5 P","O=P(O)(O)C=C(C(=O)O)C;CC(=C[P](O)(O)=O)C(O)=O;CC(=CP(=O)(O)O)C(=O)O","InChI=1S/C4H7O5P/c1-3(4(5)6)2-10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)/b3-2+","","2014-05-16","2014-10-03","(2E)-2-methyl-3-phosphonoprop-2-enoic acid","2014-10-08"],["GZ4","7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium","C21 H21 N4 O2","c13C(NC(=O)Nc1[n+](c2cc(C)c(cc2n3)C)CCCc4ccccc4)=O;Cc1cc2nc3C(=O)NC(=O)Nc3[n+](CCCc4ccccc4)c2cc1C;Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4","InChI=1S/C21H20N4O2/c1-13-11-16-17(12-14(13)2)25(10-6-9-15-7-4-3-5-8-15)19-18(22-16)20(26)24-21(27)23-19/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,24,26,27)/p+1","","2018-06-06","2018-08-31","7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium","2018-09-05"],["GZ5","(2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide","C30 H36 Cl N5 O","N[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc3c4CCCCc4nc5cc(Cl)ccc35;c1ccc2c(c1)c(c[nH]2)CC(C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N","InChI=1S/C30H36ClN5O/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37)/t25-/m1/s1","","2018-10-26","2019-03-22","(2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide","2019-03-27"],["GZ6","Guanidinium","C H6 N3","C(N)(N)=[NH2+];NC(N)=[NH2+];C(=[NH2+])(N)N","InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1","","2020-07-29","2020-09-04","diaminomethaniminium","2020-09-09"],["GZ7","10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium","C23 H30 N5 O4","c1(c2c(nc(n1)O)[n+](CCCCCCC(=O)O)c3cc(c(cc3n2)C)NC4CCCC4)O;Cc1cc2nc3c(O)nc(O)nc3[n+](CCCCCCC(O)=O)c2cc1NC4CCCC4;Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O","InChI=1S/C23H29N5O4/c1-14-12-17-18(13-16(14)24-15-8-5-6-9-15)28(11-7-3-2-4-10-19(29)30)21-20(25-17)22(31)27-23(32)26-21/h12-13,15H,2-11H2,1H3,(H3,24,26,27,29,30,31,32)/p+1","","2018-06-06","2018-08-31","10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium","2018-09-05"],["GZ8","4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid","C8 H6 O4 S","OC(=O)[CH]1C=CC(=S)C=C1C(O)=O;C1=CC(=S)C=C(C1C(=O)O)C(=O)O","InChI=1S/C8H6O4S/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3,5H,(H,9,10)(H,11,12)/t5-/m1/s1","","2018-10-26","2019-03-15","4-sulfanylidenecyclohexa-2,5-diene-1,2-dicarboxylic acid","2019-03-20"],["GZ9","(2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C30 H41 N3 O5","Cc1nc(NC(=O)NC2CCCCC2)c(C)c([CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C;Cc1c(ccc2c1CCCO2)c3c(nc(c(c3C(C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C","InChI=1S/C30H41N3O5/c1-17-21-13-10-16-37-23(21)15-14-22(17)25-19(3)31-27(33-29(36)32-20-11-8-7-9-12-20)18(2)24(25)26(28(34)35)38-30(4,5)6/h14-15,20,26H,7-13,16H2,1-6H3,(H,34,35)(H2,31,32,33,36)/t26-/m0/s1","","2020-10-09","2021-01-08","(2~{S})-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2021-01-13"],["GZA","2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one","C17 H13 N5 O2","C(c1ccccc1)n2cc(cn2)OC=4NC(c3ccncc3N=4)=O;O=C1NC(=Nc2cnccc12)Oc3cnn(Cc4ccccc4)c3;c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3","InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)","","2016-01-28","2016-04-08","2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one","2016-04-13"],["GZB","2-benzamidoethanoic acid","C9 H9 N O3","OC(=O)CNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCC(=O)O","InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)","","2017-07-22","2024-09-27","2-benzamidoethanoic acid","2017-11-29"],["GZC","N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine","C18 H22 N8 O2","NC(=N)Nc1ccc(O)c(C=NCCN=Cc2cc(NC(N)=N)ccc2O)c1;c1cc(c(cc1NC(=N)N)C=NCCN=Cc2cc(ccc2O)NC(=N)N)O","InChI=1S/C18H22N8O2/c19-17(20)25-13-1-3-15(27)11(7-13)9-23-5-6-24-10-12-8-14(26-18(21)22)2-4-16(12)28/h1-4,7-10,27-28H,5-6H2,(H4,19,20,25)(H4,21,22,26)/b23-9+,24-10+","","2009-12-03","2011-06-04","1-[3-[(E)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-phenyl]guanidine",""],["GZD","N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium","C19 H37 N2","C[N+](CCCCCNCC13CC2CC(C1)CC(C2)C3)(C)C;C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2;C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2","InChI=1S/C19H37N2/c1-21(2,3)8-6-4-5-7-20-15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18,20H,4-15H2,1-3H3/q+1/t16-,17+,18-,19-","","2018-06-06","2018-08-17","N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium","2018-08-22"],["GZE","[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate","C14 H11 Cl F3 N3 O4 S","N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1;c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N","InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)","","2018-10-26","2019-11-15","[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate","2019-11-20"],["GZF","[(2R,3R,4S,5S)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate","C10 H15 N5 O10 P2 S","Nc1nc(O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O)c2n1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N","InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5+,6+,9+/m1/s1","","2020-10-12","2021-03-12","[(2~{R},3~{R},4~{S},5~{S})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate","2021-03-17"],["GZG","4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid","C25 H27 N5 O4","C(N(Cc1ccccc1)CCCC(=O)O)CN3c4c(N=C2C(NC(=O)N=C23)=O)cc(c(c4)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCN(CCCC(O)=O)Cc4ccccc4)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4","InChI=1S/C25H27N5O4/c1-16-13-19-20(14-17(16)2)30(23-22(26-19)24(33)28-25(34)27-23)12-11-29(10-6-9-21(31)32)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,31,32)(H,28,33,34)","","2018-06-06","2018-08-31","4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid","2018-09-05"],["GZH","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea","C16 H15 Cl F3 N3 O3 S","N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1;c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N","InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24)","","2018-10-26","2019-11-15","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea","2019-11-20"],["GZI","(2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid","C27 H34 F2 N4 O3","C[CH]1Cc2c([nH]c3ccccc23)[CH](N1C[CH](C)C(O)=O)c4c(C)c(OCCNCCCF)ncc4F;Cc1c(c(cnc1OCCNCCCF)F)C2c3c(c4ccccc4[nH]3)CC(N2CC(C)C(=O)O)C","InChI=1S/C27H34F2N4O3/c1-16(27(34)35)15-33-17(2)13-20-19-7-4-5-8-22(19)32-24(20)25(33)23-18(3)26(31-14-21(23)29)36-12-11-30-10-6-9-28/h4-5,7-8,14,16-17,25,30,32H,6,9-13,15H2,1-3H3,(H,34,35)/t16-,17-,25-/m1/s1","","2022-02-04","2023-01-27","(2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid","2023-02-01"],["GZJ","(2S)-2-(acetylamino)butanoic acid","C6 H11 N O3","CC(NC(C(=O)O)CC)=O;CC[CH](NC(C)=O)C(O)=O;CCC(C(=O)O)NC(=O)C","InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1","","2018-06-06","2024-09-27","(2S)-2-(acetylamino)butanoic acid","2019-04-17"],["GZK","1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one","C16 H14 Cl2 N4 O3 S","Clc1ccc(CN2C=Nc3n(ncc3C2=O)[CH]4CC[S](=O)(=O)C4)cc1Cl;c1cc(c(cc1CN2C=Nc3c(cnn3C4CCS(=O)(=O)C4)C2=O)Cl)Cl","InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2/t11-/m1/s1","","2018-10-27","2019-02-22","1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one","2019-02-27"],["GZL","beta-D-galactofuranose","C6 H12 O6","OC1C(OC(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5+,6-/m1/s1","beta-D-galactose; D-galactose; galactose","2007-12-16","2020-07-17","beta-D-galactofuranose",""],["GZM","4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide","C24 H28 Cl2 N2 O3","O=C(COC)N1CCC(Cc2ccc(cc2)c2cc(Cl)cc(Cl)c2)(CC1)C(=O)NCC;CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(Cl)cc(Cl)c3;CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl","InChI=1S/C24H28Cl2N2O3/c1-3-27-23(30)24(8-10-28(11-9-24)22(29)16-31-2)15-17-4-6-18(7-5-17)19-12-20(25)14-21(26)13-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)","","2018-06-08","2021-10-29","4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide","2021-11-03"],["GZN","2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide","C21 H16 Cl2 N4 O2","Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4ccccc24)cn1;Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl","InChI=1S/C21H16Cl2N4O2/c1-26-11-14(9-24-26)25-20(28)17-12-27(10-13-6-7-18(22)19(23)8-13)21(29)16-5-3-2-4-15(16)17/h2-9,11-12H,10H2,1H3,(H,25,28)","","2018-10-27","2019-02-22","2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide","2019-02-27"],["GZO","methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate","C20 H19 F N8 O2","COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24;CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC","InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)","","2020-10-15","2021-08-06","methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate","2021-08-11"],["GZP","1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL","C14 H16 N2 O","OC1(CCCC1)c2cc([nH]n2)c3ccccc3;c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O","InChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16)","","2015-03-08","2015-05-08","1-(5-phenyl-1H-pyrazol-3-yl)cyclopentan-1-ol","2015-05-13"],["GZQ","~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide","C9 H9 Cl2 N O","CN(C(C)=O)c1ccc(Cl)cc1Cl;CC(=O)N(C)c1ccc(cc1Cl)Cl","InChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3","","2018-10-27","2019-02-22","~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide","2019-02-27"],["GZR","1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one","C25 H26 F N3 O2","COc1cc(ccc1n2cnc(C)c2)C=C3CCCN([CH](C)c4ccc(F)cc4)C3=O;Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)C(C)c4ccc(cc4)F","InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1","E-2012","2020-10-15","2021-03-01","1-[(1~{S})-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one","2021-01-27"],["GZS","4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid","C16 H17 N O5 S","OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCCCC(=O)O","InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19)","","2022-05-18","2024-09-27","4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid","2022-06-29"],["GZT","1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide","C15 H12 F2 N2 O4","CNC(=O)C1=CC=CN(Cc2ccc3OC(F)(F)Oc3c2)C1=O;CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F","InChI=1S/C15H12F2N2O4/c1-18-13(20)10-3-2-6-19(14(10)21)8-9-4-5-11-12(7-9)23-15(16,17)22-11/h2-7H,8H2,1H3,(H,18,20)","","2018-10-27","2019-02-22","1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide","2019-02-27"],["GZV","(2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid","C11 H8 F2 O4","C(/C(c1c(ccc(C)c1F)F)=O)=C(C(O)=O)O;Cc1ccc(F)c(c1F)C(=O)C=C(O)C(O)=O;Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F","InChI=1S/C11H8F2O4/c1-5-2-3-6(12)9(10(5)13)7(14)4-8(15)11(16)17/h2-4,15H,1H3,(H,16,17)/b8-4-","","2018-06-08","2018-08-31","(2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid","2018-09-05"],["GZW","2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide","C25 H24 Cl2 N6 O2","Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cnc(cc24)C5CCNCC5)cn1;Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl","InChI=1S/C25H24Cl2N6O2/c1-32-13-17(10-30-32)31-24(34)20-14-33(12-15-2-3-21(26)22(27)8-15)25(35)19-11-29-23(9-18(19)20)16-4-6-28-7-5-16/h2-3,8-11,13-14,16,28H,4-7,12H2,1H3,(H,31,34)","","2018-10-27","2019-02-22","2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide","2019-02-27"],["GZX","(1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione","C27 H42 N2 O5 S","C[CH]1CCC[C]2(C)O[CH]2C[CH](NC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc3csc(C)n3;Cc1nc(cs1)C=C(C)C2CC3C(O3)(CCCC(C(C(C(=O)C(C(CC(=O)N2)O)(C)C)C)O)C)C","InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1","Ixabepilone","2020-10-19","2021-11-09","(1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione","2021-03-24"],["GZY","1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one","C13 H17 N O2","C1C(N(C(=O)C)CC1)c2cccc(c2)OC;COc1cccc(c1)[CH]2CCCN2C(C)=O;CC(=O)N1CCCC1c2cccc(c2)OC","InChI=1S/C13H17NO2/c1-10(15)14-8-4-7-13(14)11-5-3-6-12(9-11)16-2/h3,5-6,9,13H,4,7-8H2,1-2H3/t13-/m0/s1","","2018-06-08","2024-09-27","1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one","2019-03-27"],["GZZ","N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE","C18 H41 N7","[N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N;NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N;[H]N=C(N)NCCCCCCCCNCCCCCCCCNC(=N[H])N","InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)","GUAZATINE","2001-01-25","2020-06-17","N,N'''-(iminodioctane-8,1-diyl)diguanidine",""],["H00","4-sulfanylbutanoic acid","C4 H8 O2 S","C(C(=O)O)CCS;OC(=O)CCCS;C(CC(=O)O)CS","InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)","","2017-08-15","2024-09-27","4-sulfanylbutanoic acid","2018-02-21"],["H01","PROTOPORPHYRIN IX 2,4-DISULFONIC ACID","C30 H32 N4 O10 S2","O=S(=O)(O)C5=C(C=2NC5=Cc1c(c(c(n1)C=C4NC(=Cc3c(c(c(C=2)n3)S(=O)(=O)O)C)C(=C4CCC(=O)O)C)CCC(=O)O)C)C;CC1=C(CCC(O)=O)C2=Cc3[nH]c(C=C4NC(=Cc5[nH]c(C=C1N2)c(C)c5[S](O)(=O)=O)C(=C4[S](O)(=O)=O)C)c(C)c3CCC(O)=O;Cc1c2[nH]c(c1CCC(=O)O)C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(C(=C2)N5)S(=O)(=O)O)C)S(=O)(=O)O)C)N3)C)CCC(=O)O","InChI=1S/C30H32N4O10S2/c1-13-17(5-7-27(35)36)23-12-24-18(6-8-28(37)38)14(2)20(32-24)10-25-30(46(42,43)44)16(4)22(34-25)11-26-29(45(39,40)41)15(3)21(33-26)9-19(13)31-23/h9-12,31-34H,5-8H2,1-4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/b19-9-,20-10-,21-9-,22-11-,23-12-,24-12-,25-10-,26-11-","3,3'-(3,7,12,17-TETRAMETHYL-8,13-DISULFO-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID","2007-06-11","2021-03-13","3,3'-(3,7,12,17-tetramethyl-8,13-disulfo-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid",""],["H02","N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID","C35 H42 N4 O4","O=C(O)CCC5=C(C=2NC5=Cc1c(c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N4C)C)CC)C)CCC(=O)O)C;CCc1c(C)c2[nH]c1C=C3N(C)C(=Cc4[nH]c(C=C5NC(=C2)C(=C5CCC(O)=O)C)c(CCC(O)=O)c4C)C(=C3C)CC;CCc1c(c2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(C(=C2)N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C","InChI=1S/C35H42N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,36-38H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16-","3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID","2007-06-15","2020-06-17","3,3'-(7,12-diethyl-3,8,13,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid",""],["H03","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide","C20 H30 N6 O5 S","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)N(C)C;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](=O)(=O)N(C)C;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C","InChI=1S/C20H30N6O5S/c1-4-15-18(19(21)24-20(22)23-15)31-13-7-12-30-16-9-6-5-8-14(16)10-11-17(27)25-32(28,29)26(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,25,27)(H4,21,22,23,24)","","2022-01-03","2022-02-04","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide","2022-02-09"],["H04","1-(2-ethoxyphenyl)piperazine","C12 H18 N2 O","N1(CCNCC1)c2ccccc2OCC;CCOc1ccccc1N2CCNCC2;CCOc1ccccc1N2CCNCC2","InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3","","2018-06-08","2019-03-22","1-(2-ethoxyphenyl)piperazine","2019-03-27"],["H05","5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine","C12 H13 N5","n1c(n3nc(nc3c2c1cccc2)N)CCC;CCCc1nc2ccccc2c3nc(N)nn13;CCCc1nc2ccccc2c3n1nc(n3)N","InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)","","2014-04-02","2014-07-03","5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine","2014-07-08"],["H06","(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide","C14 H13 N5 O","O=C(NN=Cc1ccc(C(=[N@H])N)cc1)c2cccnc2;NC(=N)c1ccc(cc1)C=NNC(=O)c2cccnc2;c1cc(cnc1)C(=O)NN=Cc2ccc(cc2)C(=N)N","InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+","","2009-10-13","2011-06-04","4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide",""],["H07","(2S,4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-7-methoxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide","C17 H17 Cl N5 O6 P S","Clc5ccc(Sc2nc1c(ncnc1n2C4OC3COP(=O)(OC3C4OC)O)N)cc5;CO[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3c(Sc4ccc(Cl)cc4)nc5c(N)ncnc35;COC1C2C(COP(=O)(O2)O)OC1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl","InChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1","","2013-09-12","2014-08-29","(2S,4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-7-methoxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide","2014-09-03"],["H08","2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide","C21 H17 Cl N4 O2","Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)cc3)C(=O)c4ccccc24)cn1;Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl","InChI=1S/C21H17ClN4O2/c1-25-12-16(10-23-25)24-20(27)19-13-26(11-14-6-8-15(22)9-7-14)21(28)18-5-3-2-4-17(18)19/h2-10,12-13H,11H2,1H3,(H,24,27)","","2018-10-27","2019-02-22","2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide","2019-02-27"],["H09","2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol","C27 H33 F4 N3 O2","C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(F)(F)CO)c4c(C)c(OCCNCCCF)ccc4F;Cc1c(ccc(c1C2c3c(c4ccccc4[nH]3)CC(N2CC(CO)(F)F)C)F)OCCNCCCF","InChI=1S/C27H33F4N3O2/c1-17-14-20-19-6-3-4-7-22(19)33-25(20)26(34(17)15-27(30,31)16-35)24-18(2)23(9-8-21(24)29)36-13-12-32-11-5-10-28/h3-4,6-9,17,26,32-33,35H,5,10-16H2,1-2H3/t17-,26-/m1/s1","","2022-02-04","2023-01-27","2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol","2023-02-01"],["H0A","1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one","C15 H19 N O2","c1(ccc(cc1)OC)C2N(CCC=CC2)C(=O)C;COc1ccc(cc1)[CH]2CC=CCCN2C(C)=O;CC(=O)N1CCC=CCC1c2ccc(cc2)OC","InChI=1S/C15H19NO2/c1-12(17)16-11-5-3-4-6-15(16)13-7-9-14(18-2)10-8-13/h3-4,7-10,15H,5-6,11H2,1-2H3/t15-/m0/s1","","2018-06-08","2024-09-27","1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one","2019-03-27"],["H0B","6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide","C20 H15 Cl2 N5 O2","Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cccnc24)cn1;Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl","InChI=1S/C20H15Cl2N5O2/c1-26-10-13(8-24-26)25-19(28)15-11-27(9-12-4-5-16(21)17(22)7-12)20(29)14-3-2-6-23-18(14)15/h2-8,10-11H,9H2,1H3,(H,25,28)","","2018-10-27","2019-02-22","6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide","2019-02-27"],["H0C","[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate","C44 H52 O13","C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6)[CH](O)[CH](OC(=O)c7c8ccccc8cc9ccccc79)[CH]1O;CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O","InChI=1S/C44H52O13/c1-22-36(49)38(57-39(51)34-27-9-5-3-7-23(27)15-24-8-4-6-10-28(24)34)37(50)40(55-22)56-26-17-32(47)43(21-45)35-30(11-13-42(43,52)18-26)44(53)14-12-29(25-16-33(48)54-20-25)41(44,2)19-31(35)46/h3-10,15-16,22,26,29-32,35-38,40,45-47,49-50,52-53H,11-14,17-21H2,1-2H3/t22-,26-,29+,30+,31+,32+,35+,36-,37+,38+,40-,41+,42-,43+,44-/m0/s1","","2020-10-19","2021-01-22","[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate","2021-01-27"],["H0D","N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea","C11 H15 Cl N2 O2","N(C(CO)CC)C(=O)Nc1ccc(cc1)Cl;CC[CH](CO)NC(=O)Nc1ccc(Cl)cc1;CCC(CO)NC(=O)Nc1ccc(cc1)Cl","InChI=1S/C11H15ClN2O2/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1","","2018-06-08","2019-03-22","N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea","2019-03-27"],["H0E","(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol","C24 H29 N3 O4 S","O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5;CC1(C)CN=C2[CH](O)c3cc(ccc3N2C1)[S](=O)(=O)N4CCC[CH]4COc5ccccc5;CC1(CN=C2C(c3cc(ccc3N2C1)S(=O)(=O)N4CCCC4COc5ccccc5)O)C","InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1","","2009-04-10","2024-09-27","(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol",""],["H0F","2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide","C13 H25 N3 O2","CC[CH](C)[CH](NC)C(=O)N1CCC[CH]1CC(N)=O;CCC(C)C(C(=O)N1CCCC1CC(=O)N)NC","InChI=1S/C13H25N3O2/c1-4-9(2)12(15-3)13(18)16-7-5-6-10(16)8-11(14)17/h9-10,12,15H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,12-/m0/s1","","2022-05-18","2024-09-27","2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide","2022-06-29"],["H0G","2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide","C12 H12 N2 O2","N(C(Cc1cccc(C)c1)=O)c2ccon2;Cc1cccc(CC(=O)Nc2ccon2)c1;Cc1cccc(c1)CC(=O)Nc2ccon2","InChI=1S/C12H12N2O2/c1-9-3-2-4-10(7-9)8-12(15)13-11-5-6-16-14-11/h2-7H,8H2,1H3,(H,13,14,15)","","2018-06-08","2019-03-22","2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide","2019-03-27"],["H0H","~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide","C21 H18 N4 O2","Cn1cc(NC(=O)C2=CN(Cc3ccccc3)C(=O)c4ccccc24)cn1;Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4","InChI=1S/C21H18N4O2/c1-24-13-16(11-22-24)23-20(26)19-14-25(12-15-7-3-2-4-8-15)21(27)18-10-6-5-9-17(18)19/h2-11,13-14H,12H2,1H3,(H,23,26)","","2018-10-27","2019-02-22","~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide","2019-02-27"],["H0I","4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid","C20 H28 N4 O4","CCc1nc(N)nc(N)c1OCCCCOc1cc(CCCC(=O)O)ccc1;CCc1nc(N)nc(N)c1OCCCCOc2cccc(CCCC(O)=O)c2;CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O","InChI=1S/C20H28N4O4/c1-2-16-18(19(21)24-20(22)23-16)28-12-4-3-11-27-15-9-5-7-14(13-15)8-6-10-17(25)26/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H,25,26)(H4,21,22,23,24)","","2022-01-03","2022-02-04","4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid","2022-02-09"],["H0J","5-(pyridin-2-yl)thiophene-2-carbothioamide","C10 H8 N2 S2","n2c(c1sc(cc1)C(=S)N)cccc2;NC(=S)c1sc(cc1)c2ccccn2;c1ccnc(c1)c2ccc(s2)C(=S)N","InChI=1S/C10H8N2S2/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)","","2018-06-08","2019-03-22","5-(pyridin-2-yl)thiophene-2-carbothioamide","2019-03-27"],["H0K","4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol","C23 H18 N2 O2","Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4cc(ccc4C5)CO;OCc1ccc2Cc3c([nH]nc3c2c1)c4ccc(cc4)c5ccc(O)cc5;c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO","InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)","","2012-07-05","2012-08-17","4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol",""],["H0L","(2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one","C24 H27 F2 N O3","COc1cc2C[CH](CC3(F)CCN(CC3)Cc4ccc(F)cc4)C(=O)c2cc1OC;COc1cc2c(cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F","InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)20(17)13-22(21)30-2)14-24(26)7-9-27(10-8-24)15-16-3-5-19(25)6-4-16/h3-6,12-13,18H,7-11,14-15H2,1-2H3/t18-/m1/s1","","2020-10-20","2021-08-20","(2~{R})-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one","2021-08-25"],["H0M","2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide","C13 H12 N2 O2","N(C(Cc1cc(ccc1)O)=O)c2ccccn2;Oc1cccc(CC(=O)Nc2ccccn2)c1;c1ccnc(c1)NC(=O)Cc2cccc(c2)O","InChI=1S/C13H12N2O2/c16-11-5-3-4-10(8-11)9-13(17)15-12-6-1-2-7-14-12/h1-8,16H,9H2,(H,14,15,17)","","2018-06-08","2019-03-22","2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide","2019-03-27"],["H0N","5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide","C24 H22 Cl2 N6 O2","Clc1ccc(CN2C=C(C(=O)Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl;c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl","InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)","","2018-10-27","2019-02-22","5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide","2019-02-27"],["H0O","~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide","C22 H23 N5 O","CCC(=O)Nc1ccc(cc1)n2nc(C)c(c2C)c3c(C)ccc4n[nH]cc34;CCC(=O)Nc1ccc(cc1)n2c(c(c(n2)C)c3c(ccc4c3c[nH]n4)C)C","InChI=1S/C22H23N5O/c1-5-20(28)24-16-7-9-17(10-8-16)27-15(4)22(14(3)26-27)21-13(2)6-11-19-18(21)12-23-25-19/h6-12H,5H2,1-4H3,(H,23,25)(H,24,28)","","2022-02-07","2024-09-27","~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide","2022-04-27"],["H0P","2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide","C13 H12 N2 O2","N(C(Cc1cc(ccc1)O)=O)c2cccnc2;Oc1cccc(CC(=O)Nc2cccnc2)c1;c1cc(cc(c1)O)CC(=O)Nc2cccnc2","InChI=1S/C13H12N2O2/c16-12-5-1-3-10(7-12)8-13(17)15-11-4-2-6-14-9-11/h1-7,9,16H,8H2,(H,15,17)","","2018-06-08","2019-03-22","2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide","2019-03-27"],["H0Q","2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide","C21 H17 Cl N4 O2","Cn1cc(NC(=O)C2=CN(Cc3cccc(Cl)c3)C(=O)c4ccccc24)cn1;Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl","InChI=1S/C21H17ClN4O2/c1-25-12-16(10-23-25)24-20(27)19-13-26(11-14-5-4-6-15(22)9-14)21(28)18-8-3-2-7-17(18)19/h2-10,12-13H,11H2,1H3,(H,24,27)","","2018-10-27","2019-02-22","2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide","2019-02-27"],["H0R","(2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one","C24 H27 F2 N O3","COc1cc2C[CH](CC3(F)CCN(CC3)Cc4ccccc4F)C(=O)c2cc1OC;COc1cc2c(cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4ccccc4F)F","InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)19(17)13-22(21)30-2)14-24(26)7-9-27(10-8-24)15-16-5-3-4-6-20(16)25/h3-6,12-13,18H,7-11,14-15H2,1-2H3/t18-/m0/s1","","2020-10-20","2021-08-20","(2~{S})-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one","2021-08-25"],["H0S","N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C12 H11 N5","N(c1ncnc2nncc12)c3ccc(cc3)C;Cc1ccc(Nc2ncnc3[nH]ncc23)cc1;Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2","InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)16-11-10-6-15-17-12(10)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17)","","2018-06-08","2019-03-22","N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2019-03-27"],["H0T","[2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone","C28 H28 N6 O3 S","CN1CCN(CC1)[S](=O)(=O)c2ccccc2c3ccc4nc(N)nc(C(=O)N5Cc6ccccc6C5)c4c3;CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5","InChI=1S/C28H28N6O3S/c1-32-12-14-34(15-13-32)38(36,37)25-9-5-4-8-22(25)19-10-11-24-23(16-19)26(31-28(29)30-24)27(35)33-17-20-6-2-3-7-21(20)18-33/h2-11,16H,12-15,17-18H2,1H3,(H2,29,30,31)","","2018-10-29","2018-11-16","[2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone","2018-11-21"],["H0U","~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide","C19 H16 N2 O2 S2","Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)c3sc(cc3)C#N;Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N","InChI=1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3","","2020-10-20","2021-10-15","~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide","2021-10-20"],["H0V","5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C14 H15 N5","n1c(c2c(nc1N)ncc2CCc3ccccc3)N;Nc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1;c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N","InChI=1S/C14H15N5/c15-12-11-10(7-6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,8H,6-7H2,(H5,15,16,17,18,19)","","2014-01-15","2015-01-16","5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["H0W","6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide","C40 H37 Cl2 N7 O3","C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)c8ccc(Cl)cc8;CC(c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8","InChI=1S/C40H37Cl2N7O3/c1-25(26-10-12-28(41)13-11-26)49-24-44-35(27-7-3-2-4-8-27)37(49)34-31-15-14-29(42)23-33(31)45-36(34)39(50)46-32-9-5-18-43-38(32)47-20-16-30(17-21-47)48-19-6-22-52-40(48)51/h2-5,7-15,18,23-25,30,45H,6,16-17,19-22H2,1H3,(H,46,50)/t25-/m0/s1","","2018-11-01","2019-11-15","6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide","2019-11-20"],["H0X","[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile","C12 H9 N3 O S","C(C#N)SC=2NC(C=C(c1ccccc1)N=2)=O;O=C1NC(=NC(=C1)c2ccccc2)SCC#N;c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N","InChI=1S/C12H9N3OS/c13-6-7-17-12-14-10(8-11(16)15-12)9-4-2-1-3-5-9/h1-5,8H,7H2,(H,14,15,16)","","2016-03-16","2017-03-24","[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile","2017-03-29"],["H0Y","6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid","C23 H18 N4 O2 S","O=C(O)c1nc(ccc1)c2ccc5c(c2)/C(=N/Nc3nc4ccccc4s3)CCC5;OC(=O)c1cccc(n1)c2ccc3CCCC(=NNc4sc5ccccc5n4)c3c2;c1ccc2c(c1)nc(s2)NN=C3CCCc4c3cc(cc4)c5cccc(n5)C(=O)O","InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)/b26-18+","","2013-02-04","2014-09-05","6-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}pyridine-2-carboxylic acid","2013-04-24"],["H0Z","bicuculline methochloride","C20 H17 N O6","CN1CCc2cc3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OCOc6ccc45;CN1CCc2cc3c(cc2C1C4c5ccc6c(c5C(=O)O4)OCO6)OCO3","InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1","","2018-11-01","2018-12-28","(6~{R})-6-[(5~{S})-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6~{H}-furo[3,4-g][1,3]benzodioxol-8-one","2019-01-02"],["H10","1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea","C21 H26 N2 O3","O=C(N)N(O)C(C#Cc4cc(OC12CC3CC(C1)CC(C2)C3)ccc4)C;C[CH](C#Cc1cccc(OC23CC4CC(CC(C4)C2)C3)c1)N(O)C(N)=O;CC(C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O","InChI=1S/C21H26N2O3/c1-14(23(25)20(22)24)5-6-15-3-2-4-19(10-15)26-21-11-16-7-17(12-21)9-18(8-16)13-21/h2-4,10,14,16-18,25H,7-9,11-13H2,1H3,(H2,22,24)/t14-,16-,17+,18-,21-/m1/s1","","2011-06-17","2011-12-02","1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea",""],["H11","(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one","C15 H26 N2 O S","O=C1N=C(SC1(CCC)C)NC2CCCCCCC2;CCC[C]1(C)SC(=NC1=O)NC2CCCCCCC2;CCCC1(C(=O)N=C(S1)NC2CCCCCCC2)C","InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1","","2008-01-27","2011-06-04","(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one",""],["H12","6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE","C18 H22 Cl N O2","Clc3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)CCC)c3;CCCC1=C(OC2CCCCC2)c3cc(Cl)ccc3NC1=O;CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3","InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)","","2004-07-22","2011-06-04","6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one",""],["H13","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide","C23 H39 N O3","O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCC;CCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1;CCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO","InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1","","2009-04-22","2011-06-04","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide",""],["H14","(2S,3R)-BETA-HYDROXY-PHENYLALANINE","C9 H11 N O3","O=C(O)C(N)C(O)c1ccccc1;N[CH]([CH](O)c1ccccc1)C(O)=O;c1ccc(cc1)C(C(C(=O)O)N)O","InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1","BETA-HYDROXY-PHENYLALANINE; THREO-BETA-HYDROXY-L-PHENYLALANINE; (BETAS)-BETA-HYDROXY-L-PHENYLALANINE; L-THREO-3-PHENYLSERINE; L-THREO-BETA-PHENYLSERINE; 3-HYDROXY-L-PHENYLALANINE","2008-10-17","2024-09-27","(betaR)-beta-hydroxy-L-phenylalanine","2012-12-21"],["H15","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide","C25 H43 N O3","O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1;CCCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO","InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1","","2009-04-22","2011-06-04","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide",""],["H16","6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE","C18 H22 Cl N O S","Clc3ccc2c(C(SC1CCCCC1)=C(C(=O)N2)CCC)c3;CCCC1=C(SC2CCCCC2)c3cc(Cl)ccc3NC1=O;CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3","InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)","","2004-07-22","2011-06-04","6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1H)-one",""],["H17","2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide","C21 H21 Cl N2 O2","N(C(Cc2cccc(C1CCCN1C(=O)[C@H]=C)c2)=O)c3cccc(c3)Cl;Clc1cccc(NC(=O)Cc2cccc(c2)[CH]3CCCN3C(=O)C=C)c1;C=CC(=O)N1CCCC1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl","InChI=1S/C21H21ClN2O2/c1-2-21(26)24-11-5-10-19(24)16-7-3-6-15(12-16)13-20(25)23-18-9-4-8-17(22)14-18/h2-4,6-9,12,14,19H,1,5,10-11,13H2,(H,23,25)/t19-/m1/s1","","2018-06-08","2019-03-22","2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide","2019-03-27"],["H18","6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE","C18 H22 Cl N O2 S","Clc3ccc1c(C(=C(C(=O)N1)CCC)S(=O)C2CCCCC2)c3;CCCC1=C(c2cc(Cl)ccc2NC1=O)[S](=O)C3CCCCC3;CCCC1=C(c2cc(ccc2NC1=O)Cl)S(=O)C3CCCCC3","InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)/t23-/m1/s1","","2004-07-22","2012-01-05","6-chloro-4-[(R)-cyclohexylsulfinyl]-3-propylquinolin-2(1H)-one",""],["H19","huprine 19","C18 H21 Cl N3","Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](C=C(CC[NH3+])C4)c13;c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)CC(=C4)CC[NH3+]","InChI=1S/C18H20ClN3/c19-13-1-2-14-15(9-13)22-16-8-11-5-10(3-4-20)6-12(7-11)17(16)18(14)21/h1-2,6,9,11-12H,3-5,7-8,20H2,(H2,21,22)/p+1/t11-,12+/m1/s1","","2017-10-15","2017-12-08","","2017-12-13"],["H1A","2-ethyl-N-(2-hydroxyphenyl)butanamide","C12 H17 N O2","N(C(C(CC)CC)=O)c1c(cccc1)O;CCC(CC)C(=O)Nc1ccccc1O;CCC(CC)C(=O)Nc1ccccc1O","InChI=1S/C12H17NO2/c1-3-9(4-2)12(15)13-10-7-5-6-8-11(10)14/h5-9,14H,3-4H2,1-2H3,(H,13,15)","","2018-06-08","2019-03-22","2-ethyl-N-(2-hydroxyphenyl)butanamide","2019-03-27"],["H1B","N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide","C22 H22 F3 N3 O3 S2","CCN1C=C(c2cccc(c2)C(F)(F)F)c3sc(cc3C1=O)C(N)=NC4CC[S](=O)(=O)CC4;CCN1C=C(c2c(cc(s2)C(=NC3CCS(=O)(=O)CC3)N)C1=O)c4cccc(c4)C(F)(F)F","InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)","","2015-04-03","2015-04-17","N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide","2015-04-22"],["H1C","methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate","C13 H17 N3 O2","CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1;CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC","InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)","","2020-10-20","2021-10-15","methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate","2021-10-20"],["H1D","(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID","C8 H16 N2 O6 S","O=C(NO)C(O)C(O)CSCCC(N)C(=O)O;N[CH](CCSC[CH](O)[CH](O)C(=O)NO)C(O)=O;C(CSCC(C(C(=O)NO)O)O)C(C(=O)O)N","InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1","","2006-01-27","2011-06-04","S-[(2S,3R)-2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl]-L-homocysteine",""],["H1F","5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide","C19 H21 N3 O3 S","COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S)c3ccccc3;COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3","InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26)","","2020-10-20","2021-10-15","5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide","2021-10-20"],["H1G","2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide","C20 H22 N4 O5","n2cc(NC(Cc1ccc(cc1)OC)=O)cc(c2)OCC(=O)N3CC(NCC3)=O;COc1ccc(CC(=O)Nc2cncc(OCC(=O)N3CCNC(=O)C3)c2)cc1;COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3","InChI=1S/C20H22N4O5/c1-28-16-4-2-14(3-5-16)8-18(25)23-15-9-17(11-21-10-15)29-13-20(27)24-7-6-22-19(26)12-24/h2-5,9-11H,6-8,12-13H2,1H3,(H,22,26)(H,23,25)","","2018-06-08","2019-03-22","2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide","2019-03-27"],["H1H","5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid","C24 H32 N2 O6","COc1ccccc1[CH](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O)=O;CC(C)CCCOc1cc(c(cc1OC)C(=O)O)NC(=O)NC(C)c2ccccc2OC","InChI=1S/C24H32N2O6/c1-15(2)9-8-12-32-22-14-19(18(23(27)28)13-21(22)31-5)26-24(29)25-16(3)17-10-6-7-11-20(17)30-4/h6-7,10-11,13-16H,8-9,12H2,1-5H3,(H,27,28)(H2,25,26,29)/t16-/m0/s1","","2018-11-02","2019-06-21","5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid","2019-06-26"],["H1I","N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide","C31 H30 N4 O4 S2","O=C(NS(=O)(=O)c1cccc(c1)c2oc(cc2)/C(=N/Nc3nc4ccccc4s3)C)CCCCCc5ccccc5;CC(=NNc1sc2ccccc2n1)c3oc(cc3)c4cccc(c4)[S](=O)(=O)NC(=O)CCCCCc5ccccc5;CC(=NNc1nc2ccccc2s1)c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5","InChI=1S/C31H30N4O4S2/c1-22(33-34-31-32-26-16-8-9-17-29(26)40-31)27-19-20-28(39-27)24-14-10-15-25(21-24)41(37,38)35-30(36)18-7-3-6-13-23-11-4-2-5-12-23/h2,4-5,8-12,14-17,19-21H,3,6-7,13,18H2,1H3,(H,32,34)(H,35,36)/b33-22+","","2013-01-22","2014-09-05","N-{[3-(5-{(1E)-1-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]ethyl}furan-2-yl)phenyl]sulfonyl}-6-phenylhexanamide","2013-04-24"],["H1J","N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide","C14 H11 Cl F N O","N(C(Cc1ccc(cc1)F)=O)c2cccc(c2)Cl;Fc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1;c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F","InChI=1S/C14H11ClFNO/c15-11-2-1-3-13(9-11)17-14(18)8-10-4-6-12(16)7-5-10/h1-7,9H,8H2,(H,17,18)","","2018-06-08","2019-03-22","N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide","2019-03-27"],["H1K","1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea","C13 H13 Cl N4 O3","O=C(Nc1nccnc1)Nc2cc(Cl)c(OC)cc2OC;COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl;COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC","InChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19)","","2012-07-02","2012-08-17","1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea",""],["H1L","(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid","C15 H11 Cl F3 N O4","O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C;C[CH](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1","HALOXYFOP INHIBITOR, R enantiomer","2004-03-02","2020-06-17","(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid",""],["H1M","methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannopyranoside","C9 H18 O6","O(C)C1OC(C(O)C(O)C1CCO)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1CCO;COC1C(C(C(C(O1)CO)O)O)CCO","InChI=1S/C9H18O6/c1-14-9-5(2-3-10)7(12)8(13)6(4-11)15-9/h5-13H,2-4H2,1H3/t5-,6+,7+,8+,9-/m0/s1","methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannoside; methyl 2-deoxy-2-(2-hydroxyethyl)-D-mannoside; methyl\n2-deoxy-2-(2-hydroxyethyl)-mannoside","2008-05-19","2020-07-17","methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannopyranoside",""],["H1N","N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE","C29 H32 N4 O3 S","O=S(=O)(Nc1ccc2c(c1)C(C(=O)N2)C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5)CC;CC[S](=O)(=O)Nc1ccc2NC(=O)[CH](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5;CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)C(=Nc3ccc(cc3)CN4CCCCC4)c5ccccc5","InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b30-28+/t27-/m0/s1","HESPERADIN","2004-12-15","2021-03-01","N-{(3S)-2-oxo-3-[(Z)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide",""],["H1O","2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole","C25 H23 N3 O3","COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45;Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC","InChI=1S/C25H23N3O3/c1-28-12-11-17-18(8-6-10-20(17)28)25-26-19-9-5-7-16(23(19)27-25)15-13-21(29-2)24(31-4)22(14-15)30-3/h5-14H,1-4H3,(H,26,27)","","2020-10-20","2021-10-15","2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole","2021-10-20"],["H1P","1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one","C16 H12 F N O","c2cc(c(c1ccc(F)cc1)cc2)N3C(CC=C3)=O;Fc1ccc(cc1)c2ccccc2N3C=CCC3=O;c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O","InChI=1S/C16H12FNO/c17-13-9-7-12(8-10-13)14-4-1-2-5-15(14)18-11-3-6-16(18)19/h1-5,7-11H,6H2","","2018-06-08","2019-03-22","1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one","2019-03-27"],["H1Q","adenosine divanadate","C10 H13 N5 O11 V2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N","InChI=1S/C10H12N5O4.H2O.6O.2V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;;;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);1H2;;;;;;;;/q-1;;;5*-1;2*+1/p-1/t4-,6-,7-,10?;;;;;;;;;/m1........./s1","","2018-11-05","2019-03-29","[[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanidyl)vanadio]oxy-tris(oxidanidyl)-oxidanyl-vanadium","2019-04-03"],["H1R","(2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one","C24 H27 F2 N O3","COc1cc2C[CH](CC3(F)CCN(CC3)Cc4cccc(F)c4)C(=O)c2cc1OC;COc1cc2c(cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4cccc(c4)F)F","InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)20(17)13-22(21)30-2)14-24(26)6-8-27(9-7-24)15-16-4-3-5-19(25)10-16/h3-5,10,12-13,18H,6-9,11,14-15H2,1-2H3/t18-/m0/s1","","2020-10-20","2021-08-20","(2~{S})-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one","2021-08-25"],["H1S","HEPARIN DISACCHARIDE I-S","C12 H15 N O19 S3","[O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(OC(O)C(NS([O-])(=O)=O)C1O)COS([O-])(=O)=O)C([O-])=O;O[CH]1O[CH](CO[S]([O-])(=O)=O)[CH](O[CH]2OC(=C[CH](O)[CH]2O[S]([O-])(=O)=O)C([O-])=O)[CH](O)[CH]1N[S]([O-])(=O)=O;C1=C(OC(C(C1O)OS(=O)(=O)[O-])OC2C(OC(C(C2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-]","InChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1","","2004-08-03","2020-07-17","2-deoxy-4-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-2-(sulfonatoamino)-alpha-D-glucopyranose",""],["H1T","[[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium","O20 V7","O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V].[V]O[V]O[V]O[V]O[V]=O;O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O]","InChI=1S/14H2O.6O.7V/h14*1H2;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;+1;3*+2;+3;+4/p-14","","2018-11-05","2019-03-29","[[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium","2019-04-03"],["H1U","N-[[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]methyl]cycloheptanamine","C25 H33 N3","C1CCCC(CC1)NCc2[nH]c3ccccc3c2CCNCc4ccccc4;c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4","InChI=1S/C25H33N3/c1-2-7-13-21(12-6-1)27-19-25-23(22-14-8-9-15-24(22)28-25)16-17-26-18-20-10-4-3-5-11-20/h3-5,8-11,14-15,21,26-28H,1-2,6-7,12-13,16-19H2","","2020-10-21","2021-10-15","~{N}-[[3-[2-[(phenylmethyl)amino]ethyl]-1~{H}-indol-2-yl]methyl]cycloheptanamine","2021-10-20"],["H1V","N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}","C44 H46 Cl2 N10 O4 S2","c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCCOCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)Cl)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C;Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCOCCNC(=O)C[CH]4N=C(c5ccc(Cl)cc5)c6c(C)c(C)sc6n7c(C)nnc47)N=C(c8ccc(Cl)cc8)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C","InChI=1S/C44H46Cl2N10O4S2/c1-23-25(3)61-43-37(23)39(29-7-11-31(45)12-8-29)49-33(41-53-51-27(5)55(41)43)21-35(57)47-15-17-59-19-20-60-18-16-48-36(58)22-34-42-54-52-28(6)56(42)44-38(24(2)26(4)62-44)40(50-34)30-9-13-32(46)14-10-30/h7-14,33-34H,15-22H2,1-6H3,(H,47,57)(H,48,58)/t33-,34-/m0/s1","","2018-06-10","2018-07-13","N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}","2018-07-18"],["H1W","pentakis(oxidanyl)vanadium","H5 O5 V","O[V](O)(O)(O)O;O[V](O)(O)(O)O","InChI=1S/5H2O.V/h5*1H2;/q;;;;;+5/p-5","","2018-11-05","2019-03-29","pentakis(oxidanyl)vanadium","2019-04-03"],["H1X","2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid","C18 H21 N O4 S","Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C;Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C","InChI=1S/C18H21NO4S/c1-12-9-10-13(18(2,3)4)11-16(12)24(22,23)19-15-8-6-5-7-14(15)17(20)21/h5-11,19H,1-4H3,(H,20,21)","","2020-10-26","2021-02-05","2-[(5-~{tert}-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid","2021-02-10"],["H1Y","N-(3-chlorophenyl)-2-phenylacetamide","C14 H12 Cl N O","N(C(Cc1ccccc1)=O)c2cccc(c2)Cl;Clc1cccc(NC(=O)Cc2ccccc2)c1;c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl","InChI=1S/C14H12ClNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)","","2018-06-11","2019-03-22","N-(3-chlorophenyl)-2-phenylacetamide","2019-03-27"],["H1Z","4-butoxybenzenesulfonamide","C10 H15 N O3 S","CCCCOc1ccc(cc1)[S](N)(=O)=O;CCCCOc1ccc(cc1)S(=O)(=O)N","InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)","","2018-11-05","2019-11-15","4-butoxybenzenesulfonamide","2019-11-20"],["H20","6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE","C18 H22 Cl N O2","Clc3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)C(C)C)c3;CC(C)C1=C(OC2CCCCC2)c3cc(Cl)ccc3NC1=O;CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3","InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)","","2004-07-22","2011-06-04","6-chloro-4-(cyclohexyloxy)-3-(1-methylethyl)quinolin-2(1H)-one",""],["H21","5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide","C20 H14 Cl F N6 O3 S","O=C(Nc1ncn(n1)CC(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)c4sc(Cl)cc4;Fc1cc(ccc1NC(=O)Cn2cnc(NC(=O)c3sc(Cl)cc3)n2)N4C=CC=CC4=O;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl","InChI=1S/C20H14ClFN6O3S/c21-16-7-6-15(32-16)19(31)25-20-23-11-27(26-20)10-17(29)24-14-5-4-12(9-13(14)22)28-8-2-1-3-18(28)30/h1-9,11H,10H2,(H,24,29)(H,25,26,31)","","2008-06-12","2011-06-04","5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide",""],["H22","5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide","C22 H20 Cl F N4 O3 S","O=C(NC3CCN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4;Fc1cc(ccc1NC(=O)CN2CC[CH](C2)NC(=O)c3sc(Cl)cc3)N4C=CC=CC4=O;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CCC(C3)NC(=O)c4ccc(s4)Cl","InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1","","2008-06-11","2011-06-04","5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide",""],["H23","(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","C12 H28 O7 P2","O=P(O)(O)C(O)(CCCCCCCCCCC)P(=O)(O)O;CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O;CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)","","2007-06-28","2011-06-04","(1-hydroxydodecane-1,1-diyl)bis(phosphonic acid)",""],["H24","(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one","C19 H21 N3 O2","O=C3N(C(=NC(c2cc(c1cccc(OC)c1)ccc2)(C)C3)N)C;COc1cccc(c1)c2cccc(c2)[C]3(C)CC(=O)N(C)C(=N3)N;CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC","InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1","","2007-08-30","2011-06-04","(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",""],["H25","5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide","C22 H20 Cl F N4 O4 S","O=C(NC3C(O)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4;O[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(C(C3)O)NC(=O)c4ccc(s4)Cl","InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1","","2008-06-26","2011-06-04","5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide",""],["H26","{2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid","C9 H13 N4 O5 P","O=P(O)(O)CCOCCn1c2N=CNC(=O)c2nc1;O[P](O)(=O)CCOCCn1cnc2C(=O)NC=Nc12;c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O","InChI=1S/C9H13N4O5P/c14-9-7-8(10-5-11-9)13(6-12-7)1-2-18-3-4-19(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17)","9-(2-phosphonoethoxyethyl)hypoxanthine","2009-03-04","2021-03-01","{2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid",""],["H27","(2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid","C34 H42 N4 O12 S2","c2c(S(N(/C=C/NC(NC1C(C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)O1)NC(=O)C)=S)C(C(O)=O)C(C)C)(=O)=O)ccc(c2)c3ccccc3;CC(C)[CH](N(C=CNC(=S)N[CH]1O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1NC(C)=O)[S](=O)(=O)c2ccc(cc2)c3ccccc3)C(O)=O;CC(C)C(C(=O)O)N(C=CNC(=S)NC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3","InChI=1S/C34H42N4O12S2/c1-19(2)29(33(43)44)38(52(45,46)26-14-12-25(13-15-26)24-10-8-7-9-11-24)17-16-35-34(51)37-32-28(36-20(3)39)31(49-23(6)42)30(48-22(5)41)27(50-32)18-47-21(4)40/h7-17,19,27-32H,18H2,1-6H3,(H,36,39)(H,43,44)(H2,35,37,51)/b17-16+/t27-,28-,29-,30-,31-,32-/m1/s1","","2016-02-27","2016-07-01","(2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)","2016-07-06"],["H28","(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione","C23 H18 Cl2 F N3 O2","Fc1c(Cl)cccc1[CH]2[CH]3[CH](C=NC3=O)N(CC4CC4)[C]25C(=O)Nc6cc(Cl)ccc56;c1cc(c(c(c1)Cl)F)C2C3C(C=NC3=O)N(C24c5ccc(cc5NC4=O)Cl)CC6CC6","InChI=1S/C23H18Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-9,11,17-19H,4-5,10H2,(H,28,31)/t17-,18+,19-,23+/m0/s1","","2018-11-07","2018-12-14","(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione","2018-12-19"],["H29","6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine","C12 H13 N3 S","Nc1ccc(nc1)N2CCc3sccc3C2;c1cc(ncc1N)N2CCc3c(ccs3)C2","InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2","","2020-10-26","2021-02-05","6-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine","2021-02-10"],["H2A","(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE","C19 H27 N4 O9 S","[O-]C(=O)C(NC(=O)C[NH3+])CCCCC(=O)NC2C(=O)N1C2SCC(COC(=O)C)C1C([O-])=O;CC(=O)OC[CH]1CS[CH]2[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)C(=O)N2[CH]1C([O-])=O;CC(=O)OCC1CSC2C(C(=O)N2C1C(=O)[O-])NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+]","InChI=1S/C19H28N4O9S/c1-9(24)32-7-10-8-33-17-14(16(27)23(17)15(10)19(30)31)22-12(25)5-3-2-4-11(18(28)29)21-13(26)6-20/h10-11,14-15,17H,2-8,20H2,1H3,(H,21,26)(H,22,25)(H,28,29)(H,30,31)/p-1/t10-,11+,14-,15+,17-/m1/s1","","2003-07-18","2024-09-27","(2S,3R,6R,7R)-3-[(acetyloxy)methyl]-7-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate",""],["H2B","2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE","C9 H13 N5 O3","O=C1N=C(N=C2NCC(N=C12)C(O)C(O)C)N;C[CH](O)[CH](O)[CH]1CNC2=NC(=NC(=O)C2=N1)N;CC(C(C1CNC2=NC(=NC(=O)C2=N1)N)O)O","InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1","QUINONOID 7,8-TETRAHYDROBIOPTERIN","1999-12-16","2020-06-17","(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(6H)-one",""],["H2C","1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one","C13 H10 F N O3 S2","Fc1ccc(CN2c3ccsc3C(=O)C[S]2(=O)=O)cc1;c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F","InChI=1S/C13H10FNO3S2/c14-10-3-1-9(2-4-10)7-15-11-5-6-19-13(11)12(16)8-20(15,17)18/h1-6H,7-8H2","","2020-10-26","2021-02-05","1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one","2021-02-10"],["H2D","(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide","C13 H14 N2 O2","n1occc1NC(C(c2ccccc2)CC)=O;CC[CH](C(=O)Nc1ccon1)c2ccccc2;CCC(c1ccccc1)C(=O)Nc2ccon2","InChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)/t11-/m1/s1","","2018-06-11","2019-03-22","(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide","2019-03-27"],["H2E","2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one","C29 H32 N2 O5 S","C[CH](CN1CCOCC1)Oc2ccc3Sc4c(Cc3c2)cccc4C5=CC(=O)C=C(O5)N6CCOCC6;CC(CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6","InChI=1S/C29H32N2O5S/c1-20(19-30-7-11-33-12-8-30)35-24-5-6-27-22(16-24)15-21-3-2-4-25(29(21)37-27)26-17-23(32)18-28(36-26)31-9-13-34-14-10-31/h2-6,16-18,20H,7-15,19H2,1H3/t20-/m1/s1","","2018-11-08","2019-03-15","2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one","2019-03-20"],["H2G","(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol","C9 H15 N O S","N(CC(C)O)Cc1ccc(s1)C;C[CH](O)CNCc1sc(C)cc1;Cc1ccc(s1)CNCC(C)O","InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1","","2018-06-11","2019-03-22","(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol","2019-03-27"],["H2H","(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","C19 H22 F N3 O6 S","COc1ccc(c(F)c1)c2cn3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2;CC(CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C","InChI=1S/C19H22FN3O6S/c1-19(17(24)21-26,30(3,27)28)6-7-22-11-13-8-12(10-23(13)18(22)25)15-5-4-14(29-2)9-16(15)20/h4-5,8-10,26H,6-7,11H2,1-3H3,(H,21,24)/t19-/m1/s1","","2018-11-09","2019-12-13","(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","2019-12-18"],["H2I","~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide","C19 H15 N O6","Oc1ccc(CNC(=O)C2=Cc3ccc(O)c(O)c3C(=O)C(=C2)O)cc1;c1cc(ccc1CNC(=O)C2=Cc3ccc(c(c3C(=O)C(=C2)O)O)O)O","InChI=1S/C19H15NO6/c21-13-4-1-10(2-5-13)9-20-19(26)12-7-11-3-6-14(22)17(24)16(11)18(25)15(23)8-12/h1-8,21-22,24H,9H2,(H,20,26)(H,23,25)","","2023-07-21","2024-11-29","~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide","2024-12-04"],["H2J","N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide","C15 H14 Cl N O2","N(C(Cc1ccc(cc1)OC)=O)c2cccc(c2)Cl;COc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1;COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl","InChI=1S/C15H14ClNO2/c1-19-14-7-5-11(6-8-14)9-15(18)17-13-4-2-3-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)","","2018-06-11","2019-03-22","N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide","2019-03-27"],["H2K","1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea","C16 H15 Cl N6 O2","N#Cc1ncc(nc1)NC(=O)Nc3cc(Cl)ccc3OC2CCNC2;Clc1ccc(O[CH]2CCNC2)c(NC(=O)Nc3cnc(cn3)C#N)c1;c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)OC3CCNC3","InChI=1S/C16H15ClN6O2/c17-10-1-2-14(25-12-3-4-19-8-12)13(5-10)22-16(24)23-15-9-20-11(6-18)7-21-15/h1-2,5,7,9,12,19H,3-4,8H2,(H2,21,22,23,24)/t12-/m1/s1","","2012-07-02","2012-08-17","1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea",""],["H2L","1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea","C20 H19 N5 O3 S2","O=C(Nc1sccn1)Nc2cccc(c2)[S](=O)(=O)NCCc3c[nH]c4ccccc34;c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4","InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)","","2020-10-26","2021-01-08","1-[3-[2-(1~{H}-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea","2021-01-13"],["H2M","1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one","C17 H12 F3 N O","c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F;FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O;c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O","InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2","","2018-06-11","2019-03-22","1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one","2019-03-27"],["H2N","(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","C16 H19 F N2 O7 S","COc1ccc(c(F)c1)C2=CN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2;CC(CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C","InChI=1S/C16H19FN2O7S/c1-16(14(20)18-22,27(3,23)24)6-7-19-9-13(26-15(19)21)11-5-4-10(25-2)8-12(11)17/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1","","2018-11-09","2019-12-13","(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","2019-12-18"],["H2P","1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose","C7 H15 O9 P","O=P(OC1(OC(C(O)C(O)C1O)CO)C)(O)O;C[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)O[P](O)(O)=O;CC1(C(C(C(C(O1)CO)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1","HEPTULOSE-2-PHOSPHATE; 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-2-O-phosphono-D-gluco-hept-2-ulose;\n1-deoxy-2-O-phosphono-gluco-hept-2-ulose","1999-07-08","2020-07-17","1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose",""],["H2Q","(2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","C20 H23 N3 O6 S","C[C](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CO)CC3)(C(=O)NO)[S](C)(=O)=O;CC(CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C","InChI=1S/C20H23N3O6S/c1-19(17(25)21-27,30(2,28)29)9-10-22-13-16-11-15(12-23(16)18(22)26)5-3-4-6-20(14-24)7-8-20/h11-12,24,27H,7-10,13-14H2,1-2H3,(H,21,25)/t19-/m1/s1","","2018-11-09","2019-12-13","(2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","2019-12-18"],["H2R","N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide","C24 H23 F3 N4 O2","FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1;c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4","InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)","","2020-10-27","2021-01-08","~{N}-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide","2021-01-13"],["H2S","HYDROSULFURIC ACID","H2 S","S;S","InChI=1S/H2S/h1H2","HYDROGEN SULFIDE","1999-07-08","2024-09-27","sulfane",""],["H2T","1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one","C29 H30 Cl N7 O","CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4)c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1;CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccc5c(c4)cnn5C)c6c7cn[nH]c7cc(c6Cl)C)C","InChI=1S/C29H30ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h6-9,12-13,20H,5,10-11,14-15H2,1-4H3,(H,31,33)","","2022-02-07","2024-09-27","1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one","2022-04-27"],["H2U","5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE","C9 H15 N2 O9 P","O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O;C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2024-09-27","5'-uridylic acid",""],["H2V","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate","C13 H26 N3 O8 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CN;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CN;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O","InChI=1S/C13H26N3O8PS/c1-13(2,8-24-25(21,22)23)11(19)12(20)16-4-3-9(17)15-5-6-26-10(18)7-14/h11,19H,3-8,14H2,1-2H3,(H,15,17)(H,16,20)(H2,21,22,23)/t11-/m1/s1","S-glycyl-4'-phosphopantetheine","2012-09-21","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate","2013-03-06"],["H2W","3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one","C15 H9 Cl F N O","Clc3ccc(C2=Cc1c(cccc1F)C(=O)N2)cc3;Fc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3;c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl","InChI=1S/C15H9ClFNO/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,(H,18,19)","","2014-08-08","2015-07-24","3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one","2015-07-29"],["H2X","4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol","C19 H23 Br N2 O2","COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O;CC(=NC(C)(C)NCc1cc(ccc1O)Br)c2cccc(c2)OC","InChI=1S/C19H23BrN2O2/c1-13(14-6-5-7-17(11-14)24-4)22-19(2,3)21-12-15-10-16(20)8-9-18(15)23/h5-11,21,23H,12H2,1-4H3/b22-13+","","2020-10-28","2021-02-05","4-bromanyl-2-[[2-[(~{E})-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol","2021-02-10"],["H2Y","2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide","C14 H14 N2 O2","N(C(Cc1ccc(OC)cc1)=O)c2cnccc2;COc1ccc(CC(=O)Nc2cccnc2)cc1;COc1ccc(cc1)CC(=O)Nc2cccnc2","InChI=1S/C14H14N2O2/c1-18-13-6-4-11(5-7-13)9-14(17)16-12-3-2-8-15-10-12/h2-8,10H,9H2,1H3,(H,16,17)","","2018-06-11","2019-03-22","2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide","2019-03-27"],["H2Z","(2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide","C25 H30 N4 O6 S","C[C](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(CN4CCOCC4)cc3)(C(=O)NO)[S](C)(=O)=O;CC(CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C","InChI=1S/C25H30N4O6S/c1-25(23(30)26-32,36(2,33)34)9-10-28-18-22-15-21(17-29(22)24(28)31)8-5-19-3-6-20(7-4-19)16-27-11-13-35-14-12-27/h3-4,6-7,15,17,32H,9-14,16,18H2,1-2H3,(H,26,30)/t25-/m1/s1","","2018-11-09","2019-12-13","(2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide","2019-12-18"],["H30","5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine","C19 H25 N3 O","COc1cc2c(cc1C3=CCN(C)CCC3)N=C(N)C24CCC4;CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N","InChI=1S/C19H25N3O/c1-22-9-3-5-13(6-10-22)14-11-16-15(12-17(14)23-2)19(7-4-8-19)18(20)21-16/h6,11-12H,3-5,7-10H2,1-2H3,(H2,20,21)","","2020-10-29","2021-02-05","5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine","2021-02-10"],["H31","1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one","C17 H17 N O","c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3;Cc1ccc(cc1)c2ccccc2N3CCCC3=O;Cc1ccc(cc1)c2ccccc2N3CCCC3=O","InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3","","2018-06-11","2019-03-22","1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one","2019-03-27"],["H32","2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid","C15 H10 F N O4","OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3;c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O","InChI=1S/C15H10FNO4/c16-11-6-9(4-5-12(11)18)17-7-8-2-1-3-10(15(20)21)13(8)14(17)19/h1-6,18H,7H2,(H,20,21)","","2016-07-29","2017-02-10","2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid","2017-02-15"],["H33","8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE","C7 H7 Cl N4 O2","O=C2N(c1nc(Cl)nc1C(=O)N2C)C;CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O;CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C","InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)","","2007-04-02","2011-06-04","8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",""],["H34","(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL","C23 H26 Cl N5 O","Clc2ccc1c(N)c4c(nc1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5;Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](CC(=C4)CCCCn5cc(CO)nn5)c13;c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)C=C(C4)CCCCn5cc(nn5)CO","InChI=1S/C23H26ClN5O/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)/t15-,16+/m0/s1","","2011-09-14","2014-09-05","(1-{4-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol",""],["H35","N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE","C10 H9 N5 O","n2c(NCc1occc1)c3ncnc3nc2;C(Nc1ncnc2nc[nH]c12)c3occc3;c1cc(oc1)CNc2c3c(nc[nH]3)ncn2","InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)","","2007-04-02","2011-06-04","N-(furan-2-ylmethyl)-7H-purin-6-amine",""],["H36","N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide","C24 H22 N4 O2 S2","s1cccc1C(=[N@H])Nc4cccc(OCCOc3cc(NC(=[N@H])c2sccc2)ccc3)c4;N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4;c1cc(cc(c1)OCCOc2cccc(c2)NC(=N)c3cccs3)NC(=N)c4cccs4","InChI=1S/C24H22N4O2S2/c25-23(21-9-3-13-31-21)27-17-5-1-7-19(15-17)29-11-12-30-20-8-2-6-18(16-20)28-24(26)22-10-4-14-32-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)","","2013-04-26","2014-02-07","N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide","2014-02-12"],["H37","D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide","C25 H33 Cl N6 O3","ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N;N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCCNC(N)=N)C(=O)CCl;c1ccc(cc1)CC(C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=N)N)C(=O)CCl)N","InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1","FFRCK","2010-11-09","2024-09-27","D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide",""],["H38","N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide","C22 H18 N4 S2","s1cccc1C(=[N@H])Nc2cccc(c2)c3cc(ccc3)NC(=[N@H])c4sccc4;N=C(Nc1cccc(c1)c2cccc(NC(=N)c3sccc3)c2)c4sccc4;c1cc(cc(c1)NC(=N)c2cccs2)c3cccc(c3)NC(=N)c4cccs4","InChI=1S/C22H18N4S2/c23-21(19-9-3-11-27-19)25-17-7-1-5-15(13-17)16-6-2-8-18(14-16)26-22(24)20-10-4-12-28-20/h1-14H,(H2,23,25)(H2,24,26)","","2013-04-26","2014-02-07","N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide","2014-02-12"],["H39","5-[(2S)-4-methyl-2-{[(1H-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid","C21 H26 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)Cc3ccnc3;CC(C)C[CH](CNC(=O)Cc1c[nH]cc1)Cc2ccc3OCOc3c2C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3","InChI=1S/C21H26N2O5/c1-13(2)7-15(11-23-18(24)9-14-5-6-22-10-14)8-16-3-4-17-20(28-12-27-17)19(16)21(25)26/h3-6,10,13,15,22H,7-9,11-12H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1","","2013-12-23","2014-01-03","5-[(2S)-4-methyl-2-{[(1H-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["H3A","N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide","C15 H14 Cl N O2","N(C(Cc1cccc(c1)OC)=O)c2cccc(c2)Cl;COc1cccc(CC(=O)Nc2cccc(Cl)c2)c1;COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl","InChI=1S/C15H14ClNO2/c1-19-14-7-2-4-11(8-14)9-15(18)17-13-6-3-5-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)","","2018-06-11","2019-03-22","N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide","2019-03-27"],["H3B","3-trimethylsilylpropane-1-sulfonic acid","C6 H16 O3 S Si","C[Si](C)(C)CCC[S](O)(=O)=O;C[Si](C)(C)CCCS(=O)(=O)O","InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)","","2018-11-12","2019-11-15","3-trimethylsilylpropane-1-sulfonic acid","2019-11-20"],["H3C","N-[3-[(4S)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","C18 H14 F N5 O S","C[C]1(C=CSC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1","","2020-10-29","2021-03-05","~{N}-[3-[(4~{S})-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","2021-03-10"],["H3D","N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide","C15 H19 N O3","C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3;CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2;CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3","InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)","","2018-06-11","2024-09-27","N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide","2019-03-27"],["H3E","5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine","C21 H17 N5 O","Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2;Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5","InChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3","","2018-11-14","2019-01-04","5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine","2019-01-09"],["H3F","Tafenoquine","C24 H28 F3 N3 O3","COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(N[CH](C)CCCN)c2n1;Cc1cc(nc2c1c(c(cc2NC(C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC","InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3/t15-/m0/s1","(4S)-N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine","2020-10-30","2021-11-05","(4~{S})-~{N}4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine","2021-11-10"],["H3G","(4-tert-butylpiperidin-1-yl)(phenyl)methanone","C16 H23 N O","N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2;CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2;CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2","InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3","","2018-06-11","2019-03-22","(4-tert-butylpiperidin-1-yl)(phenyl)methanone","2019-03-27"],["H3H","5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine","C20 H19 N3 O2","CC(C)Oc1cccc(c1)c2coc3ccc(nc23)c4cnn(C)c4;CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C","InChI=1S/C20H19N3O2/c1-13(2)25-16-6-4-5-14(9-16)17-12-24-19-8-7-18(22-20(17)19)15-10-21-23(3)11-15/h4-13H,1-3H3","","2018-11-14","2019-01-04","5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine","2019-01-09"],["H3I","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid","C20 H24 N12 O6","N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O;c1[nH]c2c(n1)ncnc2NC(=O)N(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1","","2023-07-21","2023-11-03","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid","2023-11-08"],["H3J","3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one","C11 H9 N O2","n2cccc(OC=1C(C=CC=1C)=O)c2;CC1=C(Oc2cccnc2)C(=O)C=C1;CC1=C(C(=O)C=C1)Oc2cccnc2","InChI=1S/C11H9NO2/c1-8-4-5-10(13)11(8)14-9-3-2-6-12-7-9/h2-7H,1H3","","2018-06-11","2019-03-22","3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one","2019-03-27"],["H3K","1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea","C17 H17 Br N6 O2","N#Cc1ncc(nc1)NC(=O)Nc2cc(Br)ccc2N3CCCC(O)C3;O[CH]1CCCN(C1)c2ccc(Br)cc2NC(=O)Nc3cnc(cn3)C#N;c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCCC(C3)O","InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)/t13-/m1/s1","","2012-07-03","2012-08-17","1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea",""],["H3L","(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine","C5 H10 N4","C[CH](N)c1ncnn1C;CC(c1ncnn1C)N","InChI=1S/C5H10N4/c1-4(6)5-7-3-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1","","2020-10-30","2021-11-05","(1~{S})-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine","2021-11-10"],["H3M","(5R)-5-hydroxy-3-methylfuran-2(5H)-one","C5 H6 O3","O=C1OC(O)C=C1C;CC1=C[CH](O)OC1=O;CC1=CC(OC1=O)O","InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m1/s1","","2012-10-02","2024-11-15","(5R)-5-hydroxy-3-methylfuran-2(5H)-one","2013-10-23"],["H3N","5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine","C23 H17 N3 O2","Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2;Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5","InChI=1S/C23H17N3O2/c1-26-14-17(13-24-26)21-10-11-22-23(25-21)20(15-27-22)16-6-5-9-19(12-16)28-18-7-3-2-4-8-18/h2-15H,1H3","","2018-11-14","2019-01-11","5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine","2019-01-16"],["H3P","2,2'-methanediylbis(3,4,6-trichlorophenol)","C13 H6 Cl6 O2","Clc1c(c(O)c(Cl)cc1Cl)Cc2c(O)c(Cl)cc(Cl)c2Cl;Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl;c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl","InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2","","2008-11-04","2011-06-04","2,2'-methanediylbis(3,4,6-trichlorophenol)",""],["H3Q","3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine","C21 H19 N3 O","Cn1cc(cn1)c2ccc3occ(c4cccc(c4)C5CCC5)c3n2;Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5","InChI=1S/C21H19N3O/c1-24-12-17(11-22-24)19-8-9-20-21(23-19)18(13-25-20)16-7-3-6-15(10-16)14-4-2-5-14/h3,6-14H,2,4-5H2,1H3","","2018-11-14","2019-01-04","3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine","2019-01-09"],["H3R","5-METHYL-3-PHENYL-1H-PYRAZOLE","C10 H10 N2","n2c(cc(c1ccccc1)n2)C;Cc1cc([nH]n1)c2ccccc2;Cc1cc([nH]n1)c2ccccc2","InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)","","2012-10-05","2014-09-05","3-methyl-5-phenyl-1H-pyrazole","2013-06-26"],["H3S","HEPARIN DISACCHARIDE III-S","C12 H16 N O16 S2","[O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(OC(O)C(NS([O-])(=O)=O)C1O)CO)C([O-])=O;OC[CH]1O[CH](O)[CH](N[S]([O-])(=O)=O)[CH](O)[CH]1O[CH]2OC(=C[CH](O)[CH]2O[S]([O-])(=O)=O)C([O-])=O;C1=C(OC(C(C1O)OS(=O)(=O)[O-])OC2C(OC(C(C2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-]","InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1","","2004-08-03","2020-07-17","(2R,3R,4S)-2-{[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name)",""],["H3T","Phospholipid PG(16:0/cy17:0)","C39 H75 O10 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC","InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36-,37+/m0/s1","","2018-11-14","2019-10-18","[(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-[8-[(1~{R},2~{S})-2-hexylcyclopropyl]octanoyloxy]propyl] hexadecanoate","2019-10-23"],["H3U","8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid","C25 H21 N3 O11 S3","Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)","","2020-11-02","2020-11-06","8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid","2020-11-11"],["H3V","N-(1,2-oxazol-3-yl)-2-phenylacetamide","C11 H10 N2 O2","N(C(Cc1ccccc1)=O)c2ccon2;O=C(Cc1ccccc1)Nc2ccon2;c1ccc(cc1)CC(=O)Nc2ccon2","InChI=1S/C11H10N2O2/c14-11(12-10-6-7-15-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)","","2018-06-11","2019-03-22","N-(1,2-oxazol-3-yl)-2-phenylacetamide","2019-03-27"],["H3W","bisphenol-B","C16 H18 O2","CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2;CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O","InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3","","2018-11-15","2019-06-28","4-[2-(4-hydroxyphenyl)butan-2-yl]phenol","2019-07-03"],["H3X","methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate","C26 H38 O6","COC(=O)[CH]1[CH](C)[C]2(C)C[C]3(OC2=C(C)C1=O)[CH](C)CC[CH]4C(C)(C)OC(=O)CC[C]34C;CC1CCC2C(OC(=O)CCC2(C13CC4(C(C(C(=O)C(=C4O3)C)C(=O)OC)C)C)C)(C)C","InChI=1S/C26H38O6/c1-14-9-10-17-23(4,5)31-18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)32-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1","","2020-11-02","2021-07-09","methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate","2021-07-14"],["H3Y","(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol","C15 H20 N2 O","N1C3CC2C1(CNC2)C(O)CC3c4ccccc4;O[CH]1C[CH]([CH]2C[CH]3CNC[C]13N2)c4ccccc4;c1ccc(cc1)C2CC(C34CNCC3CC2N4)O","InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14+,15+/m1/s1","","2018-06-11","2019-03-22","(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol","2019-03-27"],["H3Z","4-propan-2-ylphenol","C9 H12 O","CC(C)c1ccc(O)cc1;CC(C)c1ccc(cc1)O","InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3","","2018-11-15","2019-06-28","4-propan-2-ylphenol","2019-07-03"],["H40","~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide","C16 H18 Br N3 O2 S","Brc1cc(Sc2ccc(NC(=O)CC)cc2)cc(NCCO)n1;CCC(=O)Nc1ccc(Sc2cc(Br)nc(NCCO)c2)cc1;CCC(=O)Nc1ccc(cc1)Sc2cc(nc(c2)Br)NCCO","InChI=1S/C16H18BrN3O2S/c1-2-16(22)19-11-3-5-12(6-4-11)23-13-9-14(17)20-15(10-13)18-7-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,18,20)(H,19,22)","","2022-02-07","2024-09-27","N-[4-({2-bromo-6-[(2-hydroxyethyl)amino]pyridin-4-yl}sulfanyl)phenyl]propanamide","2022-04-27"],["H41","N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE","C22 H20 Cl2 F2 N6 O3","CCN([CH]1CN(N=C1c2ccc(Cl)c(Cl)c2)C(Nc3cccc(OC(F)F)c3)=NC#N)C(=O)CO;CCN(C1CN(N=C1c2ccc(c(c2)Cl)Cl)C(=NC#N)Nc3cccc(c3)OC(F)F)C(=O)CO","InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1","","2015-09-24","2016-04-22","N-[(4S)-2-[(E)-N-[3-[bis(fluoranyl)methoxy]phenyl]-N'-cyano-carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-oxidanyl-ethanamide","2016-04-27"],["H42","5,6,7,8-tetrahydronaphthalen-2-ol","C10 H12 O","Oc1ccc2CCCCc2c1;c1cc2c(cc1O)CCCC2","InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2","","2018-11-15","2019-06-28","5,6,7,8-tetrahydronaphthalen-2-ol","2019-07-03"],["H43","2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid","C24 H26 N2 O2","C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34;CC(c1cccc2c1cccc2)NC3CCN(C3)c4ccc(cc4)CC(=O)O","InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1","Evocalcet","2020-11-02","2021-06-11","2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid","2021-06-16"],["H44","N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide","C25 H25 N5 S2","s1cccc1C(=[N@H])Nc2ccc(cc2)CCNCc3cc(ccc3)NC(=[N@H])c4sccc4;N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3sccc3)c2)cc1)c4sccc4;c1cc(cc(c1)NC(=N)c2cccs2)CNCCc3ccc(cc3)NC(=N)c4cccs4","InChI=1S/C25H25N5S2/c26-24(22-6-2-14-31-22)29-20-10-8-18(9-11-20)12-13-28-17-19-4-1-5-21(16-19)30-25(27)23-7-3-15-32-23/h1-11,14-16,28H,12-13,17H2,(H2,26,29)(H2,27,30)","","2013-04-26","2014-02-07","N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide","2014-02-12"],["H45","N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide","C25 H25 N5 S2","s1cccc1C(=[N@H])Nc2cccc(c2)CCNCc3cc(ccc3)NC(=[N@H])c4sccc4;N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4;c1cc(cc(c1)NC(=N)c2cccs2)CCNCc3cccc(c3)NC(=N)c4cccs4","InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30)","","2013-04-26","2014-02-07","N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide","2014-02-12"],["H46","~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide","C34 H36 F N5 O2","CCN(CC)C(=O)[CH](N1CCN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5ccccc5;CCN(CC)C(=O)C(c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5","InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)/t32-/m0/s1","","2020-11-04","2021-01-22","~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide","2021-01-27"],["H47","2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide","C12 H12 N2 O3","N(C(Cc1cccc(OC)c1)=O)c2ccon2;COc1cccc(CC(=O)Nc2ccon2)c1;COc1cccc(c1)CC(=O)Nc2ccon2","InChI=1S/C12H12N2O3/c1-16-10-4-2-3-9(7-10)8-12(15)13-11-5-6-17-14-11/h2-7H,8H2,1H3,(H,13,14,15)","","2018-06-11","2019-03-22","2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide","2019-03-27"],["H48","4-[1-(4-hydroxyphenyl)ethyl]phenol","C14 H14 O2","CC(c1ccc(O)cc1)c2ccc(O)cc2;CC(c1ccc(cc1)O)c2ccc(cc2)O","InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3","","2018-11-15","2019-06-28","4-[1-(4-hydroxyphenyl)ethyl]phenol","2019-07-03"],["H49","(S)-N-(3-(((Pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide","C17 H22 N4 S","N=C(Nc1cccc(CNC[CH]2CCCN2)c1)c3sccc3;c1cc(cc(c1)NC(=N)c2cccs2)CNCC3CCCN3","InChI=1S/C17H22N4S/c18-17(16-7-3-9-22-16)21-14-5-1-4-13(10-14)11-19-12-15-6-2-8-20-15/h1,3-5,7,9-10,15,19-20H,2,6,8,11-12H2,(H2,18,21)/t15-/m0/s1","","2015-03-22","2015-06-19","N-[3-[[[(2S)-pyrrolidin-2-yl]methylamino]methyl]phenyl]thiophene-2-carboximidamide","2015-06-24"],["H4A","(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol","C15 H20 N2 O","N1CC3C4(C1)C(O)CC(c2ccccc2)C(C3)N4;O[CH]1C[CH]([CH]2C[CH]3CNC[C]13N2)c4ccccc4;c1ccc(cc1)C2CC(C34CNCC3CC2N4)O","InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14-,15+/m1/s1","","2018-06-11","2019-03-22","(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol","2019-03-27"],["H4B","5,6,7,8-TETRAHYDROBIOPTERIN","C9 H15 N5 O3","O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C;C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N;CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O","InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1","","1999-07-08","2011-06-04","(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one",""],["H4C","4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium","C17 H16 Cl N4 S","Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C;CCc1sc2c(c1)C(=NCc3n[nH]c(C)[n+]23)c4ccccc4Cl;CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C","InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1","7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene","2013-09-17","2020-06-17","4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium","2013-10-02"],["H4D","3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid","C13 H12 B N O5 S","N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O;OB(O)c1cc(NC(=O)Cc2sccc2)cc(c1)C(O)=O;B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O","InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)","","2018-06-11","2019-03-22","3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid","2019-03-27"],["H4E","ethyl 4-azanyl-3-bromanyl-benzoate","C9 H10 Br N O2","CCOC(=O)c1ccc(N)c(Br)c1;CCOC(=O)c1ccc(c(c1)Br)N","InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3","","2018-11-15","2019-07-05","ethyl 4-azanyl-3-bromanyl-benzoate","2019-07-10"],["H4G","2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide","C13 H10 F2 N2 O","N(C(Cc1ccc(F)cc1F)=O)c2cccnc2;Fc1ccc(CC(=O)Nc2cccnc2)c(F)c1;c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F","InChI=1S/C13H10F2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-11-2-1-5-16-8-11/h1-5,7-8H,6H2,(H,17,18)","","2018-06-11","2019-03-22","2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide","2019-03-27"],["H4H","(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide","C15 H15 Cl N2 O3 S","Clc1cc(ccc1C#N)[S](=O)(=O)NC(=O)[CH]2C[CH]3CC[CH]2C3;c1cc(c(cc1S(=O)(=O)NC(=O)C2CC3CCC2C3)Cl)C#N","InChI=1S/C15H15ClN2O3S/c16-14-7-12(4-3-11(14)8-17)22(20,21)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19)/t9-,10+,13-/m0/s1","","2018-11-15","2019-07-05","(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide","2019-07-10"],["H4I","2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide","C23 H19 F5 N2 O4 S2","Fc1ccc(c(F)c1)[S](=O)(=O)Nc2ccc3CCCN(c3c2)[S](=O)(=O)Cc4ccc(cc4)C(F)(F)F;c1cc(ccc1CS(=O)(=O)N2CCCc3c2cc(cc3)NS(=O)(=O)c4ccc(cc4F)F)C(F)(F)F","InChI=1S/C23H19F5N2O4S2/c24-18-8-10-22(20(25)12-18)36(33,34)29-19-9-5-16-2-1-11-30(21(16)13-19)35(31,32)14-15-3-6-17(7-4-15)23(26,27)28/h3-10,12-13,29H,1-2,11,14H2","","2022-05-20","2023-05-26","2,4-bis(fluoranyl)-~{N}-[1-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-2~{H}-quinolin-7-yl]benzenesulfonamide","2023-05-31"],["H4K","1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea","C15 H10 N6 O","O=C(Nc1ncc(nc1)C#N)Nc2ncc3c(c2)cccc3;O=C(Nc1cnc(cn1)C#N)Nc2cc3ccccc3cn2;c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N","InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22)","","2012-07-03","2012-08-17","1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea",""],["H4L","3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol","C20 H21 N3 O3","C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(CCCO)cc3;CC(c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O","InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)9-8-17-6-4-16(5-7-17)3-2-12-24/h4-7,10-11,13,15,24-25H,2-3,12,14H2,1H3/t15-/m0/s1","","2020-11-05","2021-01-08","3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol","2021-01-13"],["H4M","5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN","C31 H45 N6 O16 P","N1=C(N)NC(C2=C1NC(C3N2CN(C3C)c4ccc(cc4)CC(C(O)C(O)COC5OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C5O)O)C)=O;C[CH]1NC2=C(N3CN([CH](C)[CH]13)c4ccc(C[CH](O)[CH](O)[CH](O)CO[CH]5O[CH](CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)[CH](O)[CH]5O)cc4)C(=O)NC(=N2)N;CC1C2C(N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)CC(C(C(COC5C(C(C(O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C","InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18+,19?,20+,22+,24-,25+,26+,30-/m0/s1","","2004-12-16","2015-04-08","1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-{5-O-[(R)-(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol",""],["H4N","5-bromanyl-1~{H}-indole","C8 H6 Br N","Brc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1Br","InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H","","2018-11-15","2019-11-15","5-bromanyl-1~{H}-indole","2019-11-20"],["H4O","5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol","C20 H21 N3 O3","C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO;CC(c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O","InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)17-8-6-16(7-9-17)5-3-2-4-12-24/h6-11,13,15,24-25H,2,4,12,14H2,1H3/t15-/m0/s1","","2020-11-05","2021-01-08","5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol","2021-01-13"],["H4P","1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL","C7 H19 N O11 P2","O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O)O;O[CH](CNC[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O","InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1","","2003-05-19","2011-06-04","1-deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-mannitol",""],["H4Q","4-[(2~{R})-butan-2-yl]phenol","C10 H14 O","CC[CH](C)c1ccc(O)cc1;CCC(C)c1ccc(cc1)O","InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3/t8-/m1/s1","","2018-11-16","2019-06-28","4-[(2~{R})-butan-2-yl]phenol","2019-07-03"],["H4R","4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid","C26 H28 N4 O4","C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[CH]5CN(CCCC(O)=O)C[CH]45;CC(c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4C5C4CN(C5)CCCC(=O)O)O","InChI=1S/C26H28N4O4/c1-17(31)26-27-10-12-30(26)14-20-13-24(34-28-20)19-7-4-18(5-8-19)6-9-21-22-15-29(16-23(21)22)11-2-3-25(32)33/h4-5,7-8,10,12-13,17,21-23,31H,2-3,11,14-16H2,1H3,(H,32,33)/t17-,21-,22-,23+/m0/s1","","2020-11-05","2021-01-08","4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid","2021-01-13"],["H4S","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide","C50 H100 N2 O7","O=C(NC(C(O)C(O)CCCCCCCCCCCCCC)CNC1C(O)C(O)C(O)C(O)C1)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CNC1CC(C(C(C1O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1","","2011-05-05","2012-02-17","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide",""],["H4T","6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone","C14 H15 Cl2 N O2","Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2;c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl","InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2","","2018-11-16","2019-07-05","6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone","2019-07-10"],["H4U","6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine","C20 H28 N8 O2","CCc1nc(N)nc(N)c1OCCCCOc1cccc(CCCc2nnn[NH]2)c1;CCc1nc(N)nc(N)c1OCCCCOc2cccc(CCCc3[nH]nnn3)c2;CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3","InChI=1S/C20H28N8O2/c1-2-16-18(19(21)24-20(22)23-16)30-12-4-3-11-29-15-9-5-7-14(13-15)8-6-10-17-25-27-28-26-17/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H4,21,22,23,24)(H,25,26,27,28)","","2022-01-03","2022-02-04","6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine","2022-02-09"],["H4V","methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate","C14 H13 I N4 O6 S","Ic1cc(nc(n1)NC(=O)NS(=O)(c2ccccc2C(OC)=O)=O)OC;COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(I)cc(OC)n2;COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I","InChI=1S/C14H13IN4O6S/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-26(22,23)9-6-4-3-5-8(9)12(20)25-2/h3-7H,1-2H3,(H2,16,17,18,19,21)","","2018-06-11","2018-09-21","methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate","2018-09-26"],["H4W","6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H30 F N3 O","Fc1cccc(c1)CCCCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3cccc(c3)F","InChI=1S/C22H30FN3O/c1-16-10-20(26-22(24)11-16)13-18-14-25-15-21(18)27-9-4-2-3-6-17-7-5-8-19(23)12-17/h5,7-8,10-12,18,21,25H,2-4,6,9,13-15H2,1H3,(H2,24,26)/t18-,21+/m1/s1","","2011-11-22","2012-07-06","6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["H4X","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene","C42 H64 O2","COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC;CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC)C)C)CCCC(C)(C)OC","InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+","","2020-06-10","2020-10-02","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene","2020-10-07"],["H4Y","1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one","C17 H17 N O2","N1(C(CCC1)=O)c3c(c2ccc(cc2)OC)cccc3;COc1ccc(cc1)c2ccccc2N3CCCC3=O;COc1ccc(cc1)c2ccccc2N3CCCC3=O","InChI=1S/C17H17NO2/c1-20-14-10-8-13(9-11-14)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3","","2018-06-11","2019-03-22","1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one","2019-03-27"],["H4Z","5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL","C31 H45 N6 O17 P","O=C2NC(=NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C)N;C[CH](Nc1ccc(CC(O)C(O)C(O)COC2OC(CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)C(O)C2O)cc1)[CH]3[CH](C)NC4=C(N3C=O)C(=O)NC(=N4)N;CC1C(N(C2=C(N1)N=C(NC2=O)N)C=O)C(C)Nc3ccc(cc3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O","InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17?,18?,19?,20?,22+,24?,25?,26?,30?/m1/s1","","2006-02-10","2011-06-04","1-[4-({(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol",""],["H50","1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid","C16 H11 Cl2 F O2","Clc3ccc(c1c(F)cc(cc1)C2(C(=O)O)CC2)cc3Cl;OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(Cl)c(Cl)c3;c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl","InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)","","2012-12-04","2013-06-14","1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid","2013-06-19"],["H52","(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE","C16 H21 N3 O2 S","O=S(=O)(c2c1c(cncc1ccc2)C)N3C(CNCCC3)C;C[CH]1CNCCCN1[S](=O)(=O)c2cccc3cncc(C)c23;Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3C","InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1","","2003-08-26","2011-06-04","4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline",""],["H53","(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol","C12 H16 O7","OC1C(O)C(O)C(OC1CO)c2cc(O)ccc2O;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)ccc2O;c1cc(c(cc1O)C2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C12H16O7/c13-4-8-9(16)10(17)11(18)12(19-8)6-3-5(14)1-2-7(6)15/h1-3,8-18H,4H2/t8-,9-,10+,11-,12+/m1/s1","2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL","2006-01-23","2020-07-17","(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol",""],["H54","2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide","C14 H14 N2 O","N(C(Cc1cccc(C)c1)=O)c2cccnc2;Cc1cccc(CC(=O)Nc2cccnc2)c1;Cc1cccc(c1)CC(=O)Nc2cccnc2","InChI=1S/C14H14N2O/c1-11-4-2-5-12(8-11)9-14(17)16-13-6-3-7-15-10-13/h2-8,10H,9H2,1H3,(H,16,17)","","2018-06-11","2019-03-22","2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide","2019-03-27"],["H55","3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide","C10 H13 N9 O","O=C(N/C(N)=N)c1c(N)nc(N)c(n1)c2cn(nc2)C;Cn1cc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N;Cn1cc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N","InChI=1S/C10H13N9O/c1-19-3-4(2-15-19)5-7(11)17-8(12)6(16-5)9(20)18-10(13)14/h2-3H,1H3,(H4,11,12,17)(H4,13,14,18,20)","","2018-08-14","2019-08-09","3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide","2019-08-14"],["H56","(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one","C24 H21 F2 N O3","O[CH](CC[CH]1[CH](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4;c1cc(ccc1C2C(C(=O)N2c3ccc(cc3)F)CCC(c4ccc(cc4)F)O)O","InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1","","2020-11-11","2021-08-06","(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one","2021-08-11"],["H57","(3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene","C18 H26 Fe N2 O2","[Fe](C1C=CC=C1)C2C=CC(=C2)CNCCC3NC(C(O)C3O)C;C[CH]1N[CH](CCNCC2=C[CH]([Fe]C3C=CC=C3)C=C2)[CH](O)[CH]1O;CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O","InChI=1S/C13H21N2O2.C5H5.Fe/c1-9-12(16)13(17)11(15-9)6-7-14-8-10-4-2-3-5-10;1-2-4-5-3-1;/h2-5,9,11-17H,6-8H2,1H3;1-5H;/t9-,11-,12+,13-;;/m0../s1","(2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol","2013-03-08","2021-03-13","(3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene",""],["H58","(3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene","C20 H30 Fe N2 O2","[Fe](C1C=CC=C1)C2C=CC(=C2)CCCNCCC3NC(C(O)C3O)C;C[CH]1N[CH](CCNCCCC2=C[CH]([Fe]C3C=CC=C3)C=C2)[CH](O)[CH]1O;CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O","InChI=1S/C15H25N2O2.C5H5.Fe/c1-11-14(18)15(19)13(17-11)8-10-16-9-4-7-12-5-2-3-6-12;1-2-4-5-3-1;/h2-3,5-6,11,13-19H,4,7-10H2,1H3;1-5H;/t11-,13-,14+,15-;;/m0../s1","(2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol","2013-03-08","2021-03-13","(3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene",""],["H59","N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide","C26 H30 F N3 O6 S2","Fc1ccc(cc1C)CN4C(=O)C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)=C(O)C4C(C)(C)CC;CCC(C)(C)[CH]1N(Cc2ccc(F)c(C)c2)C(=O)C(=C1O)C3=C[S](=O)(=O)c4cc(N[S](C)(=O)=O)ccc4N3;CCC(C)(C)C1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O","InChI=1S/C26H30FN3O6S2/c1-6-26(3,4)24-23(31)22(25(32)30(24)13-16-7-9-18(27)15(2)11-16)20-14-38(35,36)21-12-17(29-37(5,33)34)8-10-19(21)28-20/h7-12,14,24,28-29,31H,6,13H2,1-5H3/t24-/m1/s1","","2009-04-29","2011-06-04","N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide",""],["H5A","3,4,5-trimethoxybenzoic acid","C10 H12 O5","c1(C(=O)O)cc(c(c(OC)c1)OC)OC;COc1cc(cc(OC)c1OC)C(O)=O;COc1cc(cc(c1OC)OC)C(=O)O","InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)","","2018-06-11","2018-10-05","3,4,5-trimethoxybenzoic acid","2018-10-10"],["H5B","4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid","C11 H7 Br O3","OC(=O)c1cc(Br)c2ccccc2c1O;c1ccc2c(c1)c(cc(c2O)C(=O)O)Br","InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)","","2018-11-16","2019-07-05","4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid","2019-07-10"],["H5C","9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione","C11 H14 N4 O6","CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23;COC1C(C(OC1n2cnc3c2NC(=O)NC3=O)CO)O","InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1","","2020-11-12","2022-01-28","9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione","2022-02-02"],["H5D","2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide","C20 H21 Cl N2 O2","N(c1cccc(c1)Cl)C(Cc3cc(C2CCCN2C(=O)C)ccc3)=O;CC(=O)N1CCC[CH]1c2cccc(CC(=O)Nc3cccc(Cl)c3)c2;CC(=O)N1CCCC1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl","InChI=1S/C20H21ClN2O2/c1-14(24)23-10-4-9-19(23)16-6-2-5-15(11-16)12-20(25)22-18-8-3-7-17(21)13-18/h2-3,5-8,11,13,19H,4,9-10,12H2,1H3,(H,22,25)/t19-/m0/s1","","2018-06-11","2024-09-27","2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide","2019-03-27"],["H5E","6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione","C13 H17 N3 O2 S","CC(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1;CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O","InChI=1S/C13H17N3O2S/c1-12(2,3)8-7-19-9(14-8)6-16-10(17)13(4-5-13)15-11(16)18/h7H,4-6H2,1-3H3,(H,15,18)","","2018-11-16","2019-07-05","6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione","2019-07-10"],["H5F","6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one","C10 H13 N5 O5","NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1;C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1","","2020-11-12","2022-01-28","6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-2-one","2022-02-02"],["H5G","N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide","C14 H12 Cl N O2","N(C(Cc1cccc(O)c1)=O)c2cccc(c2)Cl;Oc1cccc(CC(=O)Nc2cccc(Cl)c2)c1;c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl","InChI=1S/C14H12ClNO2/c15-11-4-2-5-12(9-11)16-14(18)8-10-3-1-6-13(17)7-10/h1-7,9,17H,8H2,(H,16,18)","","2018-06-11","2019-03-22","N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide","2019-03-27"],["H5H","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C22 H22 F4 N4 O4 S","CNc1c(F)c(F)c(c(F)c1F)c2cn(nn2)[CH]3[CH](O)[CH](CO)O[CH](Sc4ccc(C)cc4)[CH]3O;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O","InChI=1S/C22H22F4N4O4S/c1-9-3-5-10(6-4-9)35-22-21(33)19(20(32)12(8-31)34-22)30-7-11(28-29-30)13-14(23)16(25)18(27-2)17(26)15(13)24/h3-7,12,19-22,27,31-33H,8H2,1-2H3/t12-,19+,20+,21-,22+/m1/s1","","2018-11-16","2019-01-18","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2019-01-23"],["H5I","(4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one","C17 H18 F3 N7 O3","C[CH]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F;CC1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N","InChI=1S/C17H18F3N7O3/c1-9-8-30-16(28)27(9)12-6-11(23-15(24-12)26-2-4-29-5-3-26)10-7-22-14(21)25-13(10)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H2,21,22,25)/t9-/m0/s1","","2022-02-07","2022-08-22","(4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one","2022-05-18"],["H5J","5-nitro-1,2-benzoxazole","C7 H4 N2 O3","[O-][N+](=O)c1cc2cnoc2cc1;[O-][N+](=O)c1ccc2oncc2c1;c1cc2c(cc1[N+](=O)[O-])cno2","InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H","","2018-06-11","2026-04-05","5-nitro-1,2-benzoxazole","2018-08-01"],["H5K","6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid","C17 H11 N5 O3","O=C(Nc1ncc(nc1)C#N)Nc3cc2ccc(C(=O)O)cc2cc3;OC(=O)c1ccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc2c1;c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O","InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25)","","2012-07-03","2012-08-17","6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid",""],["H5L","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate","C30 H42 N7 O19 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(O)c(O)c4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(c(c4)O)O)O","InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25+,29-/m1/s1","Caffeoyl-CoA","2020-11-13","2021-09-10","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate","2021-09-15"],["H5M","TRANS-3-HYDROXY-5-METHYLPROLINE","C6 H11 N O3","O=C(O)C1NC(C)CC1O;C[CH]1C[CH](O)[CH](N1)C(O)=O;CC1CC(C(N1)C(=O)O)O","InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1","","1999-07-08","2024-09-27","(3S,5S)-3-hydroxy-5-methyl-L-proline",""],["H5N","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H18 F4 N6 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(N=[N+]=[N-])c(F)c4F)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O","InChI=1S/C21H18F4N6O4S/c1-8-2-4-9(5-3-8)36-21-20(34)18(19(33)11(7-32)35-21)31-6-10(27-30-31)12-13(22)15(24)17(28-29-26)16(25)14(12)23/h2-6,11,18-21,32-34H,7H2,1H3/t11-,18+,19+,20-,21+/m1/s1","","2018-11-16","2019-01-18","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-01-23"],["H5O","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol","C26 H27 F3 N8 O6 S","CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)S[CH]4COC[CH]([CH]4O)n5cc(nn5)c6cncnc6;COC1C(C(C(OC1SC2COCC(C2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F","InChI=1S/C26H27F3N8O6S/c1-41-25-22(37-7-16(32-35-37)12-2-14(27)21(29)15(28)3-12)24(40)19(8-38)43-26(25)44-20-10-42-9-18(23(20)39)36-6-17(33-34-36)13-4-30-11-31-5-13/h2-7,11,18-20,22-26,38-40H,8-10H2,1H3/t18-,19+,20+,22-,23+,24-,25+,26-/m0/s1","","2020-11-12","2021-06-18","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-5-methoxy-6-[(3~{R},4~{R},5~{S})-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol","2021-06-23"],["H5P","HYDANTOCIDIN-5'-PHOSPHATE","C7 H11 N2 O9 P","O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O;O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O","InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1","","1999-07-08","2011-06-04","[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]non-7-yl]methyl dihydrogen phosphate",""],["H5Q","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","C21 H20 F4 N4 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(N)c(F)c4F)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O","InChI=1S/C21H20F4N4O4S/c1-8-2-4-9(5-3-8)34-21-20(32)18(19(31)11(7-30)33-21)29-6-10(27-28-29)12-13(22)15(24)17(26)16(25)14(12)23/h2-6,11,18-21,30-32H,7,26H2,1H3/t11-,18+,19+,20-,21+/m1/s1","","2018-11-16","2019-01-18","(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol","2019-01-23"],["H5R","2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine","C21 H24 N2 O2 S","COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1;COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4","InChI=1S/C21H24N2O2S/c1-24-15-3-5-19-17(11-15)21(26-13-14-7-9-22-10-8-14)18-12-16(25-2)4-6-20(18)23-19/h3-6,11-12,14,22H,7-10,13H2,1-2H3","","2020-11-16","2021-11-05","2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine","2021-11-10"],["H5S","(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one","C27 H30 F N3 O6 S2","Fc1ccc(cc1C)CN5C(=O)C(C3=NS(=O)(=O)c2c4c(ccc23)CCN(C4)S(=O)(=O)C)=C(O)C5C(C)(C)C;Cc1cc(CN2[CH](C(=C(C2=O)C3=N[S](=O)(=O)c4c5CN(CCc5ccc34)[S](C)(=O)=O)O)C(C)(C)C)ccc1F;Cc1cc(ccc1F)CN2C(C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C","InChI=1S/C27H30FN3O6S2/c1-15-12-16(6-9-20(15)28)13-31-25(27(2,3)4)23(32)21(26(31)33)22-18-8-7-17-10-11-30(38(5,34)35)14-19(17)24(18)39(36,37)29-22/h6-9,12,25,32H,10-11,13-14H2,1-5H3/t25-/m1/s1","","2009-04-29","2011-06-04","(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one",""],["H5T","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C21 H19 F4 N3 O5 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(O)c(F)c4F)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O","InChI=1S/C21H19F4N3O5S/c1-8-2-4-9(5-3-8)34-21-20(32)17(18(30)11(7-29)33-21)28-6-10(26-27-28)12-13(22)15(24)19(31)16(25)14(12)23/h2-6,11,17-18,20-21,29-32H,7H2,1H3/t11-,17+,18+,20-,21+/m1/s1","","2018-11-16","2019-01-18","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2019-01-23"],["H5U","N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide","C24 H26 F N3 O6 S2","Fc1ccc(cc1)CN4C(=O)C(C3=NS(=O)(=O)c2c(cccc23)CNS(=O)(=O)C)=C(O)C4C(C)(C)C;CC(C)(C)[CH]1N(Cc2ccc(F)cc2)C(=O)C(=C1O)C3=N[S](=O)(=O)c4c(CN[S](C)(=O)=O)cccc34;CC(C)(C)C1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O","InChI=1S/C24H26FN3O6S2/c1-24(2,3)22-20(29)18(23(30)28(22)13-14-8-10-16(25)11-9-14)19-17-7-5-6-15(12-26-35(4,31)32)21(17)36(33,34)27-19/h5-11,22,26,29H,12-13H2,1-4H3/t22-/m1/s1","","2009-04-29","2011-06-04","N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide",""],["H5V","7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C12 H16 N4 O4","OC1C(C(OC1CO)n3c2c(c(ncn2)N)cc3)(C)O;C[C]1(O)[CH](O)[CH](CO)O[CH]1n2ccc3c(N)ncnc23;CC1(C(C(OC1n2ccc3c2ncnc3N)CO)O)O","InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1","","2018-06-11","2019-06-07","7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2019-06-12"],["H5W","6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H26 F N3 O","Fc1cccc(c1)/C=C/CCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCC=Cc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCC=Cc3cccc(c3)F","InChI=1S/C21H26FN3O/c1-15-9-19(25-21(23)10-15)12-17-13-24-14-20(17)26-8-3-2-5-16-6-4-7-18(22)11-16/h2,4-7,9-11,17,20,24H,3,8,12-14H2,1H3,(H2,23,25)/b5-2+/t17-,20+/m1/s1","","2011-11-23","2012-07-06","6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["H5X","3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid","C19 H19 N O7 S2","COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3;COC(=O)c1ccc(cc1NS(=O)(=O)c2cccc(c2)S(=O)(=O)O)C3=CCCC3","InChI=1S/C19H19NO7S2/c1-27-19(21)17-10-9-14(13-5-2-3-6-13)11-18(17)20-28(22,23)15-7-4-8-16(12-15)29(24,25)26/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25,26)","","2022-05-20","2024-09-27","3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid","2023-09-27"],["H5Y","2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid","C23 H27 N5 O4","c3(OC)ccc(c1c(cnn1c2cc(C(=O)O)ccn2)C(=O)N(CCN(C)C)CC)cc3;CCN(CCN(C)C)C(=O)c1cnn(c2cc(ccn2)C(O)=O)c1c3ccc(OC)cc3;CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O","InChI=1S/C23H27N5O4/c1-5-27(13-12-26(2)3)22(29)19-15-25-28(20-14-17(23(30)31)10-11-24-20)21(19)16-6-8-18(32-4)9-7-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,30,31)","","2018-06-11","2019-06-07","2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid","2019-06-12"],["H5Z","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C21 H18 F5 N3 O4 S","Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(F)c(F)c4F)cc1;Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O","InChI=1S/C21H18F5N3O4S/c1-8-2-4-9(5-3-8)34-21-20(32)18(19(31)11(7-30)33-21)29-6-10(27-28-29)12-13(22)15(24)17(26)16(25)14(12)23/h2-6,11,18-21,30-32H,7H2,1H3/t11-,18+,19+,20-,21+/m1/s1","","2018-11-16","2019-01-18","(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2019-01-23"],["H60","(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide","C23 H31 N3 O4","CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O;CCCCC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C=Cc2ccccc2","InChI=1S/C23H31N3O4/c1-2-3-11-20(26-21(28)13-12-17-8-5-4-6-9-17)23(30)25-19(16-27)15-18-10-7-14-24-22(18)29/h4-6,8-9,12-13,16,18-20H,2-3,7,10-11,14-15H2,1H3,(H,24,29)(H,25,30)(H,26,28)/b13-12+/t18-,19-,20-/m0/s1","","2020-11-17","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide","2021-11-24"],["H61","2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid","C22 H22 N4 O2 S","C(=O)(O)c2c1sc(cc1ncc2)c4nc3ccccc3n4CCN5CCCCC5;OC(=O)c1ccnc2cc(sc12)c3nc4ccccc4n3CCN5CCCCC5;c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O","InChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28)","","2018-06-11","2019-06-07","2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid","2019-06-12"],["H62","(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid","C7 H13 N O5","N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O;C1C(C(C(C(C1O)O)O)C(=O)O)N","InChI=1S/C7H13NO5/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h2-6,9-11H,1,8H2,(H,12,13)/t2-,3-,4+,5+,6+/m0/s1","","2018-11-16","2024-09-27","(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid","2018-12-05"],["H63","(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide","C22 H29 N3 O4","CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O;CCCCC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C=Cc2ccccc2","InChI=1S/C22H29N3O4/c1-2-3-9-19(25-20(27)11-10-16-7-5-4-6-8-16)22(29)24-18(15-26)14-17-12-13-23-21(17)28/h4-8,10-11,15,17-19H,2-3,9,12-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)/b11-10+/t17-,18-,19-/m0/s1","","2020-11-17","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide","2021-11-24"],["H64","8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE","C18 H21 Br N6 O2 S","Brc3c(Sc1nc2c(ncnc2n1CCCNC(C)C)N)cc4OCOc4c3;CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc4c(N)ncnc14;CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4","InChI=1S/C18H21BrN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)","","2005-06-29","2011-06-04","8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-amine",""],["H65","4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine","C19 H26 N4","CN1CCC(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C","InChI=1S/C19H26N4/c1-14-9-18(22-19(20)10-14)4-3-15-11-17(13-21-12-15)16-5-7-23(2)8-6-16/h9-13,16H,3-8H2,1-2H3,(H2,20,22)","","2016-02-10","2016-04-15","4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)pyridin-3-yl]ethyl]pyridin-2-amine","2016-04-20"],["H66","2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide","C21 H31 N5 O S2","Nc2nc(SCC(NCCN1CCCCC1)=O)nc4c2c3CCC(Cc3s4)CC;CC[CH]1CCc2c(C1)sc3nc(SCC(=O)NCCN4CCCCC4)nc(N)c23;CCC1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1","InChI=1S/C21H31N5OS2/c1-2-14-6-7-15-16(12-14)29-20-18(15)19(22)24-21(25-20)28-13-17(27)23-8-11-26-9-4-3-5-10-26/h14H,2-13H2,1H3,(H,23,27)(H2,22,24,25)/t14-/m0/s1","","2020-02-17","2020-05-29","2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide","2020-06-03"],["H67","2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid","C30 H32 N4 O3","c4c(c(c2cc(c1ccccc1)ccc2)n(c3cc(C(=O)O)ccn3)n4)C(C)OCCN5CCCCC5;C[CH](OCCN1CCCCC1)c2cnn(c3cc(ccn3)C(O)=O)c2c4cccc(c4)c5ccccc5;CC(c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5","InChI=1S/C30H32N4O3/c1-22(37-18-17-33-15-6-3-7-16-33)27-21-32-34(28-20-26(30(35)36)13-14-31-28)29(27)25-12-8-11-24(19-25)23-9-4-2-5-10-23/h2,4-5,8-14,19-22H,3,6-7,15-18H2,1H3,(H,35,36)/t22-/m0/s1","","2018-06-11","2019-06-07","2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid","2019-06-12"],["H68","Tetrahydrocolumbamine","C20 H23 N O4","COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC;COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)O)OC","InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1","","2018-11-16","2019-03-22","(13~{a}~{S})-3,9,10-trimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinolin-2-ol","2019-03-27"],["H69","6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","C16 H15 Cl2 N3 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCC(CC1)c1ccc(Cl)c(Cl)c1;Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl","InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24)","","2021-07-30","2021-11-05","6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["H6A","2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid","C29 H30 N4 O3","C(=O)(O)c1ccnc(c1)n3c(c2ccccc2)c(cn3)C(c4ccccc4)OCCN5CCCCC5;OC(=O)c1ccnc(c1)n2ncc([CH](OCCN3CCCCC3)c4ccccc4)c2c5ccccc5;c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)C(c4ccccc4)OCCN5CCCCC5","InChI=1S/C29H30N4O3/c34-29(35)24-14-15-30-26(20-24)33-27(22-10-4-1-5-11-22)25(21-31-33)28(23-12-6-2-7-13-23)36-19-18-32-16-8-3-9-17-32/h1-2,4-7,10-15,20-21,28H,3,8-9,16-19H2,(H,34,35)/t28-/m1/s1","","2018-06-11","2019-06-07","2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid","2019-06-12"],["H6B","(1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid","C8 H13 N O5","CN1[CH]2[CH](O)[CH](O)[CH](O)[CH]([CH]12)C(O)=O;CN1C2C1C(C(C(C2C(=O)O)O)O)O","InChI=1S/C8H13NO5/c1-9-3-2(8(13)14)5(10)7(12)6(11)4(3)9/h2-7,10-12H,1H3,(H,13,14)/t2-,3-,4-,5-,6+,7+,9+/m1/s1","","2018-11-16","2018-11-30","(1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid","2018-12-05"],["H6D","4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile","C14 H9 F3 N2 O3 S","N#CC2=C(C=C(c1cccc(OC(F)(F)F)c1)NC2=O)S(=O)C;C[S](=O)C1=C(C#N)C(=O)NC(=C1)c2cccc(OC(F)(F)F)c2;CS(=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N","InChI=1S/C14H9F3N2O3S/c1-23(21)12-6-11(19-13(20)10(12)7-18)8-3-2-4-9(5-8)22-14(15,16)17/h2-6H,1H3,(H,19,20)/t23-/m1/s1","","2014-05-30","2015-06-19","4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile","2015-06-24"],["H6E","2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane","C15 H27 N O3 S","O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2;C1CCC2(CC1)CCN(C2)S(=O)(=O)CC3CCCOC3","InChI=1S/C15H27NO3S/c17-20(18,12-14-5-4-10-19-11-14)16-9-8-15(13-16)6-2-1-3-7-15/h14H,1-13H2/t14-/m1/s1","","2018-11-16","2019-07-05","2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane","2019-07-10"],["H6F","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide","C30 H40 N4 O5","CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)c2ccc3ccccc3c2","InChI=1S/C30H40N4O5/c1-18(2)14-25(29(38)32-24(17-35)16-22-10-7-13-31-27(22)36)33-30(39)26(19(3)4)34-28(37)23-12-11-20-8-5-6-9-21(20)15-23/h5-6,8-9,11-12,15,17-19,22,24-26H,7,10,13-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,33,39)(H,34,37)/t22-,24-,25-,26-/m0/s1","","2020-11-18","2024-09-27","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide","2021-11-24"],["H6G","N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine","C20 H24 N6 O3","C1CCN(CCN1C(=O)/C=C)c2cc(NCCC(=O)O)nc(n2)c3ccccn3;OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCCN(CC3)C(=O)C=C;C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O","InChI=1S/C20H24N6O3/c1-2-18(27)26-11-5-10-25(12-13-26)17-14-16(22-9-7-19(28)29)23-20(24-17)15-6-3-4-8-21-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,28,29)(H,22,23,24)","","2018-06-11","2018-11-16","N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine","2018-11-21"],["H6H","~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide","C30 H39 N9 O3","CN(C)c1nc(NCCc2ccc3ccccc3c2)nc4n(CCC(N)=O)c(cc14)C(=O)N(CCCCN)CC(N)=O;CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N","InChI=1S/C30H39N9O3/c1-37(2)27-23-18-24(29(42)38(19-26(33)41)15-6-5-13-31)39(16-12-25(32)40)28(23)36-30(35-27)34-14-11-20-9-10-21-7-3-4-8-22(21)17-20/h3-4,7-10,17-18H,5-6,11-16,19,31H2,1-2H3,(H2,32,40)(H2,33,41)(H,34,35,36)","","2018-11-16","2019-05-10","~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide","2019-05-15"],["H6I","4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid","C18 H17 N O7 S2","OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3;c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)Nc2cc(ccc2C(=O)O)C3=CCCC3","InChI=1S/C18H17NO7S2/c20-18(21)16-9-8-13(12-4-1-2-5-12)10-17(16)19-27(22,23)14-6-3-7-15(11-14)28(24,25)26/h3-4,6-11,19H,1-2,5H2,(H,20,21)(H,24,25,26)","","2022-05-20","2024-09-27","4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid","2023-09-27"],["H6J","N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine","C19 H24 N6 O4 S","C1CCN(CCN1S([C@H]=C)(=O)=O)c3cc(NCCC(=O)O)nc(c2ccccn2)n3;OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCCN(CC3)[S](=O)(=O)C=C;C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O","InChI=1S/C19H24N6O4S/c1-2-30(28,29)25-11-5-10-24(12-13-25)17-14-16(21-9-7-18(26)27)22-19(23-17)15-6-3-4-8-20-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,26,27)(H,21,22,23)","","2018-06-11","2018-11-16","N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine","2018-11-21"],["H6K","1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea","C15 H11 N7 O","O=C(Nc2nnc(c1ccccc1)c2)Nc3ncc(C#N)nc3;O=C(Nc1cc([nH]n1)c2ccccc2)Nc3cnc(cn3)C#N;c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N","InChI=1S/C15H11N7O/c16-7-11-8-18-14(9-17-11)20-15(23)19-13-6-12(21-22-13)10-4-2-1-3-5-10/h1-6,8-9H,(H3,18,19,20,21,22,23)","","2012-07-03","2012-08-17","1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea",""],["H6L","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide","C26 H37 N5 O7","CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]","InChI=1S/C26H37N5O7/c1-15(2)12-21(25(35)28-19(14-32)13-18-6-5-11-27-23(18)33)29-26(36)22(16(3)4)30-24(34)17-7-9-20(10-8-17)31(37)38/h7-10,14-16,18-19,21-22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,21-,22-/m0/s1","","2020-11-19","2024-09-27","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide","2021-11-24"],["H6M","N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine","C19 H24 N6 O4","C(=O)(O)CCNc2cc(N1CCCN(C(=O)CO)CC1)nc(n2)c3ccccn3;OCC(=O)N1CCCN(CC1)c2cc(NCCC(O)=O)nc(n2)c3ccccn3;c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O","InChI=1S/C19H24N6O4/c26-13-17(27)25-9-3-8-24(10-11-25)16-12-15(21-7-5-18(28)29)22-19(23-16)14-4-1-2-6-20-14/h1-2,4,6,12,26H,3,5,7-11,13H2,(H,28,29)(H,21,22,23)","hydrolysis product of 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid","2018-06-11","2021-03-13","N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine","2019-06-12"],["H6N","Protocatechuic aldehyde","C7 H6 O3","Oc1ccc(C=O)cc1O;c1cc(c(cc1C=O)O)O","InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H","","2018-11-18","2024-09-27","3,4-bis(oxidanyl)benzaldehyde","2019-11-27"],["H6O","(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol","C19 H28 N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)CO;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CC[CH](O)CO;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(CO)O","InChI=1S/C19H28N4O4/c1-2-15-17(18(20)23-19(21)22-15)27-11-5-10-26-16-7-4-3-6-13(16)8-9-14(25)12-24/h3-4,6-7,14,24-25H,2,5,8-12H2,1H3,(H4,20,21,22,23)/t14-/m0/s1","","2022-01-03","2022-02-04","(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol","2022-02-09"],["H6P","(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate","C5 H12 O8 P2","O=P(O)(O)OP(=O)(OCC=C(/C)CO)O;CC(CO)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+","","2011-07-22","2011-11-25","(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate",""],["H6Q","2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose","C9 H19 O11 P","C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O;CC(C(O)O)OP(=O)(O)OC1C(C(C(OC1O)CO)O)O","InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9+/m0/s1","[(2~{S})-1,1-bis(oxidanyl)propan-2-yl]\n[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate;\n2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucose;\n2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-D-glucose;\n2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-glucose","2018-11-19","2020-07-17","[(2~{S})-1,1-bis(oxidanyl)propan-2-yl]\n[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","2019-01-23"],["H6R","(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide","C21 H23 N3 O4","O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2;C#CCC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C=Cc2ccccc2","InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1","","2020-11-19","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide","2021-11-24"],["H6S","2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid","C22 H23 Cl N2 O3 S","c1(ccccc1C(OCCC2CCCN2C)c3sc4c(c3)nccc4C(=O)O)Cl;CN1CCC[CH]1CCO[CH](c2sc3c(c2)nccc3C(O)=O)c4ccccc4Cl;CN1CCCC1CCOC(c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O","InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)/t14-,20+/m0/s1","","2018-06-11","2018-11-16","2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["H6T","2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid","C22 H23 Cl N2 O3 S","c1(c(cccc1)C(c2sc3c(c2)nccc3C(=O)O)OCCC4CCCN4C)Cl;CN1CCC[CH]1CCO[CH](c2sc3c(c2)nccc3C(O)=O)c4ccccc4Cl;CN1CCCC1CCOC(c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O","InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)/t14-,20-/m0/s1","","2018-06-26","2018-11-16","2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["H6U","2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide","C21 H24 N4 O2 S","Nc1scc(CC(=O)Nc2ccc(CCNC[CH](O)c3ccccc3)cc2)n1;c1ccc(cc1)C(CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O","InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1","","2020-11-20","2021-07-30","2-(2-azanyl-1,3-thiazol-4-yl)-~{N}-[4-[2-[[(2~{R})-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide","2021-08-04"],["H6V","2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","C22 H25 N3 O3 S","C(=O)(O)c2c1sc(cc1ncc2)C(OCCN3CCCCC3)c4cccc(c4)N;Nc1cccc(c1)[CH](OCCN2CCCCC2)c3sc4c(c3)nccc4C(O)=O;c1cc(cc(c1)N)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4","InChI=1S/C22H25N3O3S/c23-16-6-4-5-15(13-16)20(28-12-11-25-9-2-1-3-10-25)19-14-18-21(29-19)17(22(26)27)7-8-24-18/h4-8,13-14,20H,1-3,9-12,23H2,(H,26,27)/t20-/m1/s1","","2018-06-11","2018-11-16","2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["H6W","~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine","C18 H21 N5 O2","CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1;CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4","InChI=1S/C18H21N5O2/c1-22(2)8-3-7-19-17-6-9-23-18(21-17)14(11-20-23)13-4-5-15-16(10-13)25-12-24-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,21)","","2018-11-19","2020-03-06","~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine","2020-03-11"],["H6X","5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine","C31 H42 N6 O3","COc1cc(CCc2cnc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)nc2)cc(OC)c1;CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC","InChI=1S/C31H42N6O3/c1-35-13-15-36(16-14-35)26-9-11-37(12-10-26)29-8-7-25(19-30(29)40-4)34-31-32-21-24(22-33-31)6-5-23-17-27(38-2)20-28(18-23)39-3/h7-8,17-22,26H,5-6,9-16H2,1-4H3,(H,32,33,34)","","2020-11-20","2021-01-29","5-[2-(3,5-dimethoxyphenyl)ethyl]-~{N}-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine","2021-02-03"],["H6Y","8-OXO-ADENOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O14 P3","Nc1ncnc2N([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)Nc12;c1nc(c2c(n1)N(C(=O)N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H16N5O14P3/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H,22,23)(H,24,25)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","2016-01-06","2016-07-15","[[(2R,3S,4R,5R)-5-(6-azanyl-8-oxidanylidene-7H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2016-07-20"],["H6Z","2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose","C9 H19 O11 P","C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O;CC(C(O)O)OP(=O)(O)OC1C(C(C(OC1O)CO)O)O","InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9-/m0/s1","[(2~{S})-1,1-bis(oxidanyl)propan-2-yl]\n[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate;\n2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucose;\n2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-D-glucose;\n2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-glucose","2018-11-19","2020-07-17","[(2~{S})-1,1-bis(oxidanyl)propan-2-yl]\n[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","2019-01-23"],["H70","2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL","C10 H4 Br3 Cl2 N O","Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br;Oc1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br;c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl","InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H","TRIBROMODICHLOROPSEUDILIN","2010-08-10","2020-06-17","2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol",""],["H71","8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE","C18 H21 I N6 O2 S","Ic3cc4OCOc4cc3Sc1nc2c(ncnc2n1CCCNC(C)C)N;CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc4c(N)ncnc14;CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4","InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)","","2006-02-10","2011-06-04","8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-amine",""],["H72","4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide","C19 H16 N6 O","NC(=O)c1ccc(cc1)c2cnn3ccc(NCc4cccnc4)nc23;c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N","InChI=1S/C19H16N6O/c20-18(26)15-5-3-14(4-6-15)16-12-23-25-9-7-17(24-19(16)25)22-11-13-2-1-8-21-10-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)","","2018-11-19","2020-03-06","4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide","2020-03-11"],["H73","5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine","C27 H36 N12 O7 S","C(O)(C4CC(SCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)CCN4CCNC(=O)C=6C(C)(C)NC5=C(C(=O)NC(=N5)N)N=6)=O;CC1(C)NC2=C(N=C1C(=O)NCCN3CC[CH](C[CH]3C(O)=O)SC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3C(=O)O)SCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)C","InChI=1S/C27H36N12O7S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)47-8-13-16(40)17(41)24(46-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1","","2020-10-09","2020-11-27","5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine","2020-12-02"],["H74","2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","C25 H27 N3 O4 S","[C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1)s2)OCCN3CCCCC3)c4)=C;OC(=O)c1ccnc2cc(sc12)[CH](OCCN3CCCCC3)c4cccc(NC(=O)C=C)c4;C=CC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4","InChI=1S/C25H27N3O4S/c1-2-22(29)27-18-8-6-7-17(15-18)23(32-14-13-28-11-4-3-5-12-28)21-16-20-24(33-21)19(25(30)31)9-10-26-20/h2,6-10,15-16,23H,1,3-5,11-14H2,(H,27,29)(H,30,31)/t23-/m1/s1","","2018-06-11","2024-09-27","2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["H75","2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one","C13 H13 Br N2 O","Brc1ccc(cc1)N2C=C3N(C2=O)CCCC3;Brc1ccc(cc1)N2C=C3CCCCN3C2=O;c1cc(ccc1N2C=C3CCCCN3C2=O)Br","InChI=1S/C13H13BrN2O/c14-10-4-6-11(7-5-10)16-9-12-3-1-2-8-15(12)13(16)17/h4-7,9H,1-3,8H2","","2013-12-05","2013-12-13","2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one","2013-12-18"],["H76","(2S,3S,4R,5S)-2-ethynyl-5-methylpyrrolidine-3,4-diol","C7 H11 N O2","C(#C)C1NC(C)C(O)C1O;C[CH]1N[CH](C#C)[CH](O)[CH]1O;CC1C(C(C(N1)C#C)O)O","InChI=1S/C7H11NO2/c1-3-5-7(10)6(9)4(2)8-5/h1,4-10H,2H3/t4-,5-,6+,7-/m0/s1","","2014-04-17","2014-09-05","(2S,3S,4R,5S)-2-ethynyl-5-methylpyrrolidine-3,4-diol","2014-07-02"],["H77","2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","C28 H34 N4 O4 S","C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(=O)[C@H]=[C@H]CN(C)C)OCCN4CCCCC4;CN(C)CC=CC(=O)Nc1cccc(c1)[CH](OCCN2CCCCC2)c3sc4c(c3)nccc4C(O)=O;CN(C)CC=CC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4","InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+/t26-/m1/s1","","2018-06-11","2018-11-16","2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["K36","(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H31 N3 O8 S","O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)C(O)S(=O)(=O)O)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20?/m0/s1","GC376","2011-11-22","2024-09-27","(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2012-08-31"],["K37","4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE","C8 H4 Br4 N2 S","Brc2c1nc(SC)nc1c(Br)c(Br)c2Br;CSc1[nH]c2c(Br)c(Br)c(Br)c(Br)c2n1;CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br","InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14)","S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE","2005-05-18","2020-06-17","4,5,6,7-tetrabromo-2-(methylsulfanyl)-1H-benzimidazole",""],["K38","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol","C23 H27 N11 O7","Nc1ncnc2n(cnc12)[CH]3O[CH](CNCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C23H27N11O7/c24-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)9(40-22)4-26-3-1-2-11-32-13-19(25)28-7-30-21(13)34(11)23-17(39)15(37)10(5-35)41-23/h6-10,14-17,22-23,26,35-39H,3-5H2,(H2,24,27,29)(H2,25,28,30)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol","2020-02-19"],["K39","2'-methoxyethyl-guanosine-5'-thiophosphate","C13 H20 N5 O8 P S","COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3C(=O)NC(=Nc23)N;COCCOC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O","InChI=1S/C13H20N5O8PS/c1-23-2-3-24-9-8(19)6(4-25-27(21,22)28)26-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,28)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1","2-azanyl-9-[(2R,3R,4R,5R)-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-(2-methoxyethoxy)-4-oxidanyl-oxolan-2-yl]-1H-purin-6-one","2022-05-17","2022-09-09","2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-(2-methoxyethoxy)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one","2022-09-14"],["K3A","N-(5-methyl-1H-pyrazol-3-yl)acetamide","C6 H9 N3 O","n1nc(NC(C)=O)cc1C;CC(=O)Nc1cc(C)[nH]n1;Cc1cc(n[nH]1)NC(=O)C","InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)","","2018-10-25","2018-12-14","N-(5-methyl-1H-pyrazol-3-yl)acetamide","2018-12-19"],["K3B","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol","C18 H18 N10 O4","Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4[nH]c5ncnc(N)c5n4)[CH](O)[CH]3O;c1nc(c2c(n1)[nH]c(n2)C#CCOCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N","InChI=1S/C18H18N10O4/c19-14-10-16(23-5-21-14)27-9(26-10)2-1-3-31-4-8-12(29)13(30)18(32-8)28-7-25-11-15(20)22-6-24-17(11)28/h5-8,12-13,18,29-30H,3-4H2,(H2,20,22,24)(H3,19,21,23,26,27)/t8-,12-,13-,18-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol","2020-02-19"],["K3C","2-phenylcyclohexa-2,5-diene-1,4-dione","C12 H8 O2","O=C1C=CC(=O)C(=C1)c2ccccc2;c1ccc(cc1)C2=CC(=O)C=CC2=O","InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H","","2022-09-06","2023-06-30","2-phenylcyclohexa-2,5-diene-1,4-dione","2023-07-05"],["K3D","4-acetyl-N-ethylpiperazine-1-carboxamide","C9 H17 N3 O2","N1(CCN(CC1)C(=O)C)C(NCC)=O;CCNC(=O)N1CCN(CC1)C(C)=O;CCNC(=O)N1CCN(CC1)C(=O)C","InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)","","2018-10-25","2018-12-14","4-acetyl-N-ethylpiperazine-1-carboxamide","2018-12-19"],["K3E","(2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol","C23 H27 N11 O7","NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CN)O)O)N)O)O)N","InChI=1S/C23H27N11O7/c24-4-9-14(35)17(38)23(40-9)34-11(32-13-19(26)28-7-30-21(13)34)2-1-3-39-5-10-15(36)16(37)22(41-10)33-8-31-12-18(25)27-6-29-20(12)33/h6-10,14-17,22-23,35-38H,3-5,24H2,(H2,25,27,29)(H2,26,28,30)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol","2020-02-19"],["K3F","4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide","C18 H14 Cl N5 O","O=C(Nc1ccc2[NH]c(nc2c1)c1ccccc1)c1c(Cl)cnn1C;Cn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4;Cn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4","InChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23)","","2022-02-02","2022-10-07","4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide","2022-10-12"],["K3G","Phosphomolybdate keggin","Mo12 O40 P","O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]9%10(=O)(O[P+]%11%12O[Mo]%13%14(=O)(O2)O[Mo](=O)(O3)(O[Mo]%15(=O)(O[Mo]%16(=O)(O[Mo](=O)(O4)(O%13)O[Mo](=O)(O%11)(O5)(O7)O[Mo](=O)(O%12)(O%16)(O%15)O8)O%14)O9)O%10)O6;O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8","InChI=1S/12Mo.HO4P.12H2O.24O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;5H;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q8*+1;4*+2;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-12","","2012-07-12","2013-02-01","","2013-02-01"],["K3H","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol","C24 H29 N11 O7","CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C24H29N11O7/c1-33(5-10-15(37)17(39)23(41-10)34-9-31-13-19(25)27-7-29-21(13)34)4-2-3-12-32-14-20(26)28-8-30-22(14)35(12)24-18(40)16(38)11(6-36)42-24/h7-11,15-18,23-24,36-40H,4-6H2,1H3,(H2,25,27,29)(H2,26,28,30)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol","2020-02-19"],["K3I","Zeaxanthin","C40 H56 O2","CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11?,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?/t35-,36?/m0/s1","zeaxanthin","2022-05-18","2023-03-24","(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol","2023-03-29"],["K3J","N-ethyl-6-methylpyridazin-3-amine","C7 H11 N3","n1nc(NCC)ccc1C;CCNc1ccc(C)nn1;CCNc1ccc(nn1)C","InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)","","2018-10-25","2018-12-14","N-ethyl-6-methylpyridazin-3-amine","2018-12-19"],["K3K","(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","C23 H26 N10 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1","","2019-04-16","2020-02-14","(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","2020-02-19"],["K3L","2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide","C35 H32 F2 N6 O6 S","O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2cc(F)cc(F)c2)C2=Nc3ccccc3C(=O)N2c2ccc(OC)cc2)CC1;COc1ccc(cc1)N2C(=O)c3ccccc3N=C2[CH](Cc4cc(F)cc(F)c4)NC(=O)CN5CCN(CC5=O)[S](=O)(=O)c6ccc(N)cc6;COc1ccc(cc1)N2C(=O)c3ccccc3N=C2C(Cc4cc(cc(c4)F)F)NC(=O)CN5CCN(CC5=O)S(=O)(=O)c6ccc(cc6)N","InChI=1S/C35H32F2N6O6S/c1-49-27-10-8-26(9-11-27)43-34(40-30-5-3-2-4-29(30)35(43)46)31(18-22-16-23(36)19-24(37)17-22)39-32(44)20-41-14-15-42(21-33(41)45)50(47,48)28-12-6-25(38)7-13-28/h2-13,16-17,19,31H,14-15,18,20-21,38H2,1H3,(H,39,44)/t31-/m1/s1","","2023-08-10","2023-12-15","2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide","2023-12-20"],["K3M","2-fluoro-4-methylbenzamide","C8 H8 F N O","c1(C(=O)N)ccc(cc1F)C;Cc1ccc(C(N)=O)c(F)c1;Cc1ccc(c(c1)F)C(=O)N","InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)","","2018-10-25","2018-12-14","2-fluoro-4-methylbenzamide","2018-12-19"],["K3N","3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide","C29 H39 N3 O3","CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C3CCCCCC3)C(=O)[CH]4CCCC[CH]24;CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)C3C2CCCC3)C4CCCCCC4","InChI=1S/C29H39N3O3/c1-3-4-19-30-27(33)18-16-21-20-22(15-17-26(21)35-2)28-24-13-9-10-14-25(24)29(34)32(31-28)23-11-7-5-6-8-12-23/h15,17,20,23-25H,3-14,19H2,1-2H3,(H,30,33)/t24-,25+/m0/s1","","2019-04-16","2019-07-19","3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide","2019-07-24"],["K3O","N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C15 H14 F3 N5","FC(F)(F)c1cccc(c1)c1c[NH]c2nc(N)nc(NCC)c21;CCNc1nc(N)nc2[nH]cc(c3cccc(c3)C(F)(F)F)c12;CCNc1c2c(c[nH]c2nc(n1)N)c3cccc(c3)C(F)(F)F","InChI=1S/C15H14F3N5/c1-2-20-12-11-10(7-21-13(11)23-14(19)22-12)8-4-3-5-9(6-8)15(16,17)18/h3-7H,2H2,1H3,(H4,19,20,21,22,23)","","2022-02-02","2022-10-07","N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2022-10-12"],["K3P","5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine","C8 H7 Cl N4 O","n1c(c(cnc1)Cl)Oc2cnn(C)c2;Cn1cc(Oc2ncncc2Cl)cn1;Cn1cc(cn1)Oc2c(cncn2)Cl","InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3","","2018-10-25","2018-12-14","5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine","2018-12-19"],["K3Q","3,6-O-dimethyl-D-glucose","C8 H16 O6","COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O;COCC1C(C(C(C(O1)O)O)OC)O","InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1","","2019-04-17","2020-06-26","(2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol","2020-07-01"],["K3R","~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine","C29 H32 N8 O","Cn1cc(cn1)c2ccc(CNc3cc(ncn3)c4cnc5cc(OCCCN6CCCC6)ccn45)cc2;Cn1cc(cn1)c2ccc(cc2)CNc3cc(ncn3)c4cnc5n4ccc(c5)OCCCN6CCCC6","InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)","[4-(1-Methyl-1H-pyrazol-4-yl)-benzyl]-{6-[7-(3-pyrrolidin-1-yl-propoxy)-imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-yl}-amine","2022-05-19","2023-02-17","~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine","2023-02-22"],["K3S","N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine","C6 H12 N4","n1(nnc(c1)CNCC)C;CCNCc1cn(C)nn1;CCNCc1cn(nn1)C","InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3","","2018-10-25","2018-12-14","N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine","2018-12-19"],["K3T","3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide","C12 H8 Cl F N2 O S2","Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3;c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3","InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17)","","2017-01-24","2019-09-04","3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide","2017-10-25"],["K3U","S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate","C19 H17 F3 O2 S","O=C(c1ccccc1)CSC(=O)C(Cc2ccccc2)CC(F)(F)F;FC(F)(F)C[CH](Cc1ccccc1)C(=O)SCC(=O)c2ccccc2;c1ccc(cc1)CC(CC(F)(F)F)C(=O)SCC(=O)c2ccccc2","InChI=1S/C19H17F3O2S/c20-19(21,22)12-16(11-14-7-3-1-4-8-14)18(24)25-13-17(23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1","","2018-11-01","2019-10-18","S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate","2019-10-23"],["K3V","7,8-dimethoxyphthalazin-1(2H)-one","C10 H10 N2 O3","N1N=Cc2c(C1=O)c(c(OC)cc2)OC;COc1ccc2C=NNC(=O)c2c1OC;COc1ccc2c(c1OC)C(=O)NN=C2","InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)","","2018-10-25","2018-12-14","7,8-dimethoxyphthalazin-1(2H)-one","2018-12-19"],["K3W","3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide","C28 H29 N3 O4","COc1cccc(NC(=O)C#Cc2cc(ccc2OC)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34)c1;CC(C)N1C(=O)C2CC=CCC2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC","InChI=1S/C28H29N3O4/c1-18(2)31-28(33)24-11-6-5-10-23(24)27(30-31)20-12-14-25(35-4)19(16-20)13-15-26(32)29-21-8-7-9-22(17-21)34-3/h5-9,12,14,16-18,23-24H,10-11H2,1-4H3,(H,29,32)/t23-,24+/m0/s1","","2019-04-17","2019-07-19","3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide","2019-07-24"],["K3X","[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone","C29 H28 F N5 O","Cc1n2ccc(cc2nc1c3cc4ccccc4n3Cc5ccc(F)cc5)C(=O)N6CCC[CH](N)C6;Cc1c(nc2n1ccc(c2)C(=O)N3CCCC(C3)N)c4cc5ccccc5n4Cc6ccc(cc6)F","InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1","","2022-09-07","2023-03-24","[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone","2023-03-29"],["K3Y","1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide","C10 H16 N4 O","NC(=O)c2c(C1CCCNC1)nn(C)c2;Cn1cc(C(N)=O)c(n1)[CH]2CCCNC2;Cn1cc(c(n1)C2CCCNC2)C(=O)N","InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1","","2018-10-25","2018-12-14","1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide","2018-12-19"],["K3Z","(E)-3-(4-methoxyphenyl)acrylic acid","C10 H10 O3","COc1ccc(C=CC(O)=O)cc1;COc1ccc(cc1)C=CC(=O)O","InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+","","2019-04-17","2019-08-30","(~{E})-3-(4-methoxyphenyl)prop-2-enoic acid","2019-09-04"],["K40","5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one","C11 H8 Cl2 N2 O","O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12;Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12;c1cc(c2c(c1Cl)c3c([nH]2)C(=O)NCC3)Cl","InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)","","2022-02-02","2022-10-07","5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one","2022-10-12"],["K41","2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide","C6 H11 N5 O","n1nn(C)nc1NC(=O)C(C)C;CC(C)C(=O)Nc1nnn(C)n1;CC(C)C(=O)Nc1nnn(n1)C","InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12)","","2018-10-25","2018-12-14","2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide","2018-12-19"],["K42","4-(2-azanylethoxy)phenol","C8 H11 N O2","NCCOc1ccc(O)cc1;c1cc(ccc1O)OCCN","InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2","","2019-04-18","2020-06-26","4-(2-azanylethoxy)phenol","2020-07-01"],["K43","9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine","C22 H26 F2 N10 O8 P2","Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3CC4COP(=O)(OC5C(CC(C5F)n6cnc7c6ncnc7N)COP(=O)(OC4C3F)O)O)N","InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1","3',3'-c-di-(2'F,2'dAMP)","2022-05-19","2023-11-24","9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine","2023-11-29"],["K44","5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE","C10 H7 Br4 N3","Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C;CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23;CN1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br","InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3","N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE","2005-05-18","2020-06-17","5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole",""],["K45","4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","C19 H23 N3 O3 S","CN1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O;CN1CCN(CC1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m0/s1","","2019-04-18","2020-05-08","4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","2020-05-13"],["K46","~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide","C19 H20 F3 N3 O","CCC(=O)N[CH]1CN(c2ccc(cc2)C(F)(F)F)c3cccc(N)c3C1;CCC(=O)NC1Cc2c(cccc2N(C1)c3ccc(cc3)C(F)(F)F)N","InChI=1S/C19H20F3N3O/c1-2-18(26)24-13-10-15-16(23)4-3-5-17(15)25(11-13)14-8-6-12(7-9-14)19(20,21)22/h3-9,13H,2,10-11,23H2,1H3,(H,24,26)/t13-/m0/s1","","2023-08-11","2024-09-27","~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide","2023-10-04"],["K47","[(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone","C22 H29 N7 O3","n1(c3c(nc1c2c(C)n(nc2)CC)c(ncn3)OC5CN(C(=O)C4CCOCC4)CC5)C;CCn1ncc(c1C)c2nc3c(O[CH]4CCN(C4)C(=O)C5CCOCC5)ncnc3n2C;CCn1c(c(cn1)c2nc3c(n2C)ncnc3OC4CCN(C4)C(=O)C5CCOCC5)C","InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1","","2018-10-26","2019-04-26","[(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone","2019-05-01"],["K48","5-azanyl-4-phenyl-thiophene-2-carboximidamide","C11 H11 N3 S","NC(=N)c1sc(N)c(c1)c2ccccc2;c1ccc(cc1)c2cc(sc2N)C(=N)N","InChI=1S/C11H11N3S/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-6H,14H2,(H3,12,13)","","2019-04-19","2020-06-12","5-azanyl-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["K49","6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C23 H25 N7 O3","O=C(Nc1cnccc1C(=O)NCC(C)(C)O)c1nc(ccc1Nc1cncnc1)C1CC1;CC(C)(O)CNC(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;CC(C)(CNC(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4)O","InChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32)","","2022-02-02","2022-10-07","6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["K4A","1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one","C23 H26 N10 O","n1(c6c(nc1c2c(C)n(nc2)CC)c(N3CCC(CC3)N4c5c(NC4=O)nccc5)ncn6)C;CCn1ncc(c1C)c2nc3c(ncnc3n2C)N4CCC(CC4)N5C(=O)Nc6ncccc56;CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C","InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34)","","2018-10-26","2019-04-26","1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one","2019-05-01"],["K4B","4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide","C17 H19 N3 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3;c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C17H19N3O3S/c18-24(22,23)16-8-6-15(7-9-16)17(21)20-11-10-19(13-20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,22,23)","","2019-04-22","2020-05-08","4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide","2020-05-13"],["K4C","ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate","C16 H17 N5 O2","CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC;CCCc1c(c(n2c(n1)ncn2)c3ccncc3)C(=O)OCC","InChI=1S/C16H17N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10H,3-5H2,1-2H3","","2022-05-19","2022-11-11","ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate","2022-11-16"],["K4D","Flecainide","C17 H20 F6 N2 O3","C(c1c(ccc(c1)OCC(F)(F)F)OCC(F)(F)F)(=O)NCC2CCCCN2;FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NC[CH]2CCCCN2;c1cc(c(cc1OCC(F)(F)F)C(=O)NCC2CCCCN2)OCC(F)(F)F","InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/t11-/m1/s1","N-{[(2R)-piperidin-2-yl]methyl}-2,5-bis(2,2,2-trifluoroethoxy)benzamide","2018-10-29","2021-03-13","N-{[(2R)-piperidin-2-yl]methyl}-2,5-bis(2,2,2-trifluoroethoxy)benzamide","2018-12-05"],["K4E","N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide","C22 H25 Cl N4 O3","Clc1cc(c(OC)cc1)NCC(=O)NC4CCC(N3c2ccccc2NC3=O)CC4;COc1ccc(Cl)cc1NCC(=O)N[CH]2CC[CH](CC2)N3C(=O)Nc4ccccc34;COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl","InChI=1S/C22H25ClN4O3/c1-30-20-11-6-14(23)12-18(20)24-13-21(28)25-15-7-9-16(10-8-15)27-19-5-3-2-4-17(19)26-22(27)29/h2-6,11-12,15-16,24H,7-10,13H2,1H3,(H,25,28)(H,26,29)/t15-,16-","","2013-04-25","2013-05-31","N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide","2013-06-05"],["K4F","4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide","C27 H23 N3 O3","O=C(Nc2c1ncccc1ccc2)c5ccc(N4C(=O)OC(C)(C)C4c3ccccc3)cc5;CC1(C)OC(=O)N([CH]1c2ccccc2)c3ccc(cc3)C(=O)Nc4cccc5cccnc45;CC1(C(N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C","InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1","","2013-04-25","2013-05-31","4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide","2013-06-05"],["K4G","3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide","C18 H31 N O4","C(CCCCCCCCC)CC(CC(NC1C(OCC1)=O)=O)=O;CCCCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O;CCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=O","InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1","","2018-10-29","2019-01-11","3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide","2019-01-16"],["K4H","4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide","C19 H23 N3 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCN(CC2)Cc3ccccc3;c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C19H23N3O3S/c20-26(24,25)18-9-7-17(8-10-18)19(23)22-12-4-11-21(13-14-22)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H2,20,24,25)","","2019-04-22","2020-05-08","4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide","2020-05-13"],["K4I","(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one","C23 H27 F N4 O3","CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[CH](O)C5=N1;CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F","InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1","","2022-09-07","2023-06-09","(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one","2023-06-14"],["K4J","(4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid","C28 H23 B F2 N2 O6","C(c5c4c(cc(N1C(COC1=O)c2cc(F)c(cc2)B(O)O)c(C3CC3)c4)oc5c6ccc(cc6)F)(NC)=O;CNC(=O)c1c(oc2cc(N3[CH](COC3=O)c4ccc(B(O)O)c(F)c4)c(cc12)C5CC5)c6ccc(F)cc6;B(c1ccc(cc1F)C2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O","InChI=1S/C28H23BF2N2O6/c1-32-27(34)25-19-11-18(14-2-3-14)22(12-24(19)39-26(25)15-4-7-17(30)8-5-15)33-23(13-38-28(33)35)16-6-9-20(29(36)37)21(31)10-16/h4-12,14,23,36-37H,2-3,13H2,1H3,(H,32,34)/t23-/m1/s1","","2018-10-29","2019-08-30","(4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid","2019-09-04"],["K4K","(3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide","C17 H18 N2 O3 S","O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCCc3sccc3;c1ccc(cc1)N2CCC(C2=O)(C(=O)NCCc3cccs3)O","InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)/t17-/m0/s1","","2019-04-23","2019-04-26","(3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide","2019-05-01"],["K4L","5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one","C18 H16 N2 O","O=C1NC=C(C=C1CCc1ccccc1)c1ccncc1;O=C1NC=C(C=C1CCc2ccccc2)c3ccncc3;c1ccc(cc1)CCC2=CC(=CNC2=O)c3ccncc3","InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13H,6-7H2,(H,20,21)","","2022-02-02","2025-07-25","5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one","2022-10-12"],["K4M","(4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid","C27 H21 B F2 N4 O4","c6(cc(c1n(ncn1)c5cc3c(c(c(c2ccc(cc2)F)o3)C(NC)=O)cc5C4CC4)ccc6B(O)O)F;CNC(=O)c1c(oc2cc(n3ncnc3c4ccc(B(O)O)c(F)c4)c(cc12)C5CC5)c6ccc(F)cc6;B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O","InChI=1S/C27H21BF2N4O4/c1-31-27(35)24-19-11-18(14-2-3-14)22(12-23(19)38-25(24)15-4-7-17(29)8-5-15)34-26(32-13-33-34)16-6-9-20(28(36)37)21(30)10-16/h4-14,36-37H,2-3H2,1H3,(H,31,35)","","2018-10-29","2019-08-30","(4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid","2019-09-04"],["K4N","4-oxidanylbenzenesulfonamide","C6 H7 N O3 S","N[S](=O)(=O)c1ccc(O)cc1;c1cc(ccc1O)S(=O)(=O)N","InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)","","2019-04-24","2020-05-08","4-oxidanylbenzenesulfonamide","2020-05-13"],["K4O","~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C13 H12 F N5","Cc1cc(NCc2ccccc2F)n3ncnc3n1;Cc1cc(n2c(n1)ncn2)NCc3ccccc3F","InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3","","2022-05-19","2022-11-11","~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2022-11-16"],["K4P","6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide","C27 H23 B Cl F N2 O6 S","CNC(=O)c4c(c1ccc(cc1)F)oc5cc(N(c3cc2COB(c2c(Cl)c3)O)S(C)(=O)=O)c(cc45)C6CC6;CNC(=O)c1c(oc2cc(N(c3cc(Cl)c4B(O)OCc4c3)[S](C)(=O)=O)c(cc12)C5CC5)c6ccc(F)cc6;B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O","InChI=1S/C27H23BClFN2O6S/c1-31-27(33)24-20-11-19(14-3-4-14)22(12-23(20)38-26(24)15-5-7-17(30)8-6-15)32(39(2,35)36)18-9-16-13-37-28(34)25(16)21(29)10-18/h5-12,14,34H,3-4,13H2,1-2H3,(H,31,33)","","2018-10-29","2019-08-30","6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide","2019-09-04"],["K4Q","[(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate","C11 H21 N O3","CCCCCCCC(=O)OC[CH](N)C=O;CCCCCCCC(=O)OCC(C=O)N","InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-11(14)15-9-10(12)8-13/h8,10H,2-7,9,12H2,1H3/t10-/m1/s1","","2019-04-24","2024-09-27","[(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate","2021-03-10"],["K4R","1H-indazole-3-carbonitrile","C8 H5 N3","N#Cc1n[NH]c2ccccc21;N#Cc1n[nH]c2ccccc12;c1ccc2c(c1)c(n[nH]2)C#N","InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)","","2023-08-10","2024-04-19","1H-indazole-3-carbonitrile","2024-04-24"],["K4S","(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid","C26 H24 B F N2 O6 S","CNC(c1c4c(oc1c2ccc(cc2)F)cc(N(S(=O)(C)=O)c3ccc(cc3)B(O)O)c(c4)C5CC5)=O;CNC(=O)c1c(oc2cc(N(c3ccc(cc3)B(O)O)[S](C)(=O)=O)c(cc12)C4CC4)c5ccc(F)cc5;B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O","InChI=1S/C26H24BFN2O6S/c1-29-26(31)24-21-13-20(15-3-4-15)22(14-23(21)36-25(24)16-5-9-18(28)10-6-16)30(37(2,34)35)19-11-7-17(8-12-19)27(32)33/h5-15,32-33H,3-4H2,1-2H3,(H,29,31)","","2018-10-29","2019-08-30","(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid","2019-09-04"],["K4T","~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide","C14 H15 N3 O","Cn1nc(cc1C(=O)NC2CC2)c3ccccc3;Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3","InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)","","2019-04-24","2019-08-02","~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide","2019-08-07"],["K4U","6-cyclopropyl-N-{4-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","C21 H24 N8 O S","O=C(Nc1nc(CN2CCCCC2)cs1)c1nc(cnc1Nc1cncnc1)C1CC1;O=C(Nc1scc(CN2CCCCC2)n1)c3nc(cnc3Nc4cncnc4)C5CC5;c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)Nc4nc(cs4)CN5CCCCC5","InChI=1S/C21H24N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,12-14H,1-7,11H2,(H,24,25)(H,26,28,30)","","2022-02-03","2025-07-25","6-cyclopropyl-N-{4-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","2022-10-12"],["K4V","4-nitrophenyl acetate","C8 H7 N O4","c1(ccc(OC(=O)C)cc1)[N+]([O-])=O;CC(=O)Oc1ccc(cc1)[N+]([O-])=O;CC(=O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3","P-NITROPHENYL ACETATE","2018-10-30","2020-06-17","4-nitrophenyl acetate","2018-12-26"],["K4W","4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol","C18 H26 N6 O3","CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1;CCC(CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O","InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1","","2019-04-24","2020-07-17","4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol","2020-07-22"],["K4X","2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid","C16 H16 F3 N3 O3 S","C[CH]1CCc2nc(SCC(=O)NCC(O)=O)c(C#N)c(c2C1)C(F)(F)F;CC1CCc2c(c(c(c(n2)SCC(=O)NCC(=O)O)C#N)C(F)(F)F)C1","InChI=1S/C16H16F3N3O3S/c1-8-2-3-11-9(4-8)14(16(17,18)19)10(5-20)15(22-11)26-7-12(23)21-6-13(24)25/h8H,2-4,6-7H2,1H3,(H,21,23)(H,24,25)/t8-/m0/s1","","2022-05-19","2022-11-11","2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid","2022-11-16"],["K4Y","4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide","C11 H12 N4 O3 S","COc2ncnc(NS(c1ccc(cc1)N)(=O)=O)c2;COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1;COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N","InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)","","2018-10-30","2019-11-01","4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide","2019-11-06"],["K4Z","3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium","C58 H74 N22 O10","Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cc1C(=O)NCC[CH]([NH3+])C(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+]","InChI=1S/C58H72N22O10/c1-72(2)18-11-14-60-47(81)13-16-63-52(84)41-21-34(27-75(41)5)65-54(86)43-23-36(29-77(43)7)67-56(88)45-25-38(31-79(45)9)69-58(90)49-70-46(32-80(49)10)71-50(82)39(59)12-15-62-51(83)40-20-33(26-74(40)4)64-53(85)42-22-35(28-76(42)6)66-55(87)44-24-37(30-78(44)8)68-57(89)48-61-17-19-73(48)3/h17,19-32,39H,11-16,18,59H2,1-10H3,(H,60,81)(H,62,83)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,90)(H,71,82)/p+2/t39-/m1/s1","","2019-04-24","2019-06-07","3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium","2019-06-12"],["K51","4-(6-{[(1S)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}IMIDAZO[1,2-B]PYRIDAZIN-3-YL)BENZONITRILE","C18 H19 N5 O","N#Cc3ccc(c1cnc2ccc(nn12)NC(C(C)C)CO)cc3;CC(C)[CH](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N;CC(C)C(CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N","InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1","","2007-05-21","2011-06-04","4-(6-{[(1S)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile",""],["K52","~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide","C21 H22 N4 O4 S","C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)[S](=O)(=O)NC(C)=O;CC(c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3","InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1","","2019-04-26","2019-08-02","~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide","2019-08-07"],["K53","(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2\n-oxo-1,3-oxazolidine-5-carboxamide","C31 H35 N3 O9 S","O=C(NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c3cc2OCOc2cc3)C5OC(=O)N(c4c(O)cccc4)C5;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CN(C(=O)O2)c3ccccc3O)[S](=O)(=O)c4ccc5OCOc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C31H35N3O9S/c1-20(2)16-33(44(39,40)22-12-13-27-28(15-22)42-19-41-27)17-26(36)23(14-21-8-4-3-5-9-21)32-30(37)29-18-34(31(38)43-29)24-10-6-7-11-25(24)35/h3-13,15,20,23,26,29,35-36H,14,16-19H2,1-2H3,(H,32,37)/t23-,26+,29-/m0/s1","(5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(2-hydroxyp\nhenyl)-2-oxooxazolidine-5-carboxamide","2010-05-12","2020-06-17","(5S)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide",""],["K54","(5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide","C32 H33 F3 N4 O6 S2","FC(F)(F)c1ccccc1N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4ncsc4c3)C5;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CN(C(=O)O2)c3ccccc3C(F)(F)F)[S](=O)(=O)c4ccc5ncsc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C32H33F3N4O6S2/c1-20(2)16-38(47(43,44)22-12-13-24-29(15-22)46-19-36-24)17-27(40)25(14-21-8-4-3-5-9-21)37-30(41)28-18-39(31(42)45-28)26-11-7-6-10-23(26)32(33,34)35/h3-13,15,19-20,25,27-28,40H,14,16-18H2,1-2H3,(H,37,41)/t25-,27+,28-/m0/s1","(5S)-N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[2-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide","2010-05-12","2021-03-13","(5S)-N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide",""],["K55","(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid","C24 H27 F4 N O4","FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OCCCC)CC(C(=O)O)CC;CCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2F)C(F)(F)F;CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)CC(CC)C(=O)O","InChI=1S/C24H27F4NO4/c1-3-5-10-33-21-9-6-15(11-16(4-2)23(31)32)12-17(21)14-29-22(30)19-8-7-18(13-20(19)25)24(26,27)28/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,29,30)(H,31,32)/t16-/m0/s1","(S)-2-{4-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]benzyl} butyric acid","2008-05-09","2020-06-17","(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid",""],["K56","3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one","C24 H27 N5 O3","COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5NC4=O)c2cc1OC;COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O","InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)","","2015-11-19","2016-06-17","3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one","2016-06-22"],["K57","(4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli\ndine-4-carboxamide","C28 H37 N3 O5 S","O=C(NC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)c1cccc(O)c1C)Cc2ccccc2)CSC3(C)C;Cc1c(O)cccc1C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)NC(C)(C)C;Cc1c(cccc1O)C(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC(C)(C)C)(C)C)O","InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1","KNI-577","2002-10-11","2020-06-17","(4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["K58","4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid","C20 H19 N3 O3","C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(O)=O;CC(c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3","InChI=1S/C20H19N3O3/c1-13(14-8-10-16(11-9-14)20(25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,25,26)/t13-/m1/s1","","2019-04-26","2019-08-02","4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid","2019-08-07"],["K5A","4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide","C27 H28 N6 O3 S2","Cc1c(c(cc(c1)C#N)C)Oc3c2c(ccs2)nc(n3)NC4CCN(CC4)Cc5ccc(cc5)S(N)(=O)=O;Cc1cc(cc(C)c1Oc2nc(NC3CCN(CC3)Cc4ccc(cc4)[S](N)(=O)=O)nc5ccsc25)C#N;Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N","InChI=1S/C27H28N6O3S2/c1-17-13-20(15-28)14-18(2)24(17)36-26-25-23(9-12-37-25)31-27(32-26)30-21-7-10-33(11-8-21)16-19-3-5-22(6-4-19)38(29,34)35/h3-6,9,12-14,21H,7-8,10-11,16H2,1-2H3,(H2,29,34,35)(H,30,31,32)","","2018-01-03","2018-07-27","4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide","2018-08-01"],["K5B","4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid","C8 H12 O7","OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O","InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1","4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid","2017-09-07","2020-07-17","3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid","2018-06-20"],["K5C","4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide","C29 H30 N6 O3 S2","Cc1cc(C=CC#N)cc(C)c1Oc3c2c(ccs2)nc(n3)NC5CCN(Cc4ccc(cc4)S(N)(=O)=O)CC5;Cc1cc(C=CC#N)cc(C)c1Oc2nc(NC3CCN(CC3)Cc4ccc(cc4)[S](N)(=O)=O)nc5ccsc25;Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C=CC#N","InChI=1S/C29H30N6O3S2/c1-19-16-22(4-3-12-30)17-20(2)26(19)38-28-27-25(11-15-39-27)33-29(34-28)32-23-9-13-35(14-10-23)18-21-5-7-24(8-6-21)40(31,36)37/h3-8,11,15-17,23H,9-10,13-14,18H2,1-2H3,(H2,31,36,37)(H,32,33,34)/b4-3+","","2018-01-03","2018-07-27","4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide","2018-08-01"],["K5D","2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide","C14 H16 Br N O3","c3cc(Br)cc(OCC(=O)NC2C(C1C(C1)C2)O)c3;O[CH]1[CH](C[CH]2C[CH]12)NC(=O)COc3cccc(Br)c3;c1cc(cc(c1)Br)OCC(=O)NC2CC3CC3C2O","InChI=1S/C14H16BrNO3/c15-9-2-1-3-10(6-9)19-7-13(17)16-12-5-8-4-11(8)14(12)18/h1-3,6,8,11-12,14,18H,4-5,7H2,(H,16,17)/t8?,11?,12-,14+/m1/s1","","2018-10-30","2019-03-29","2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide","2019-04-03"],["K5E","(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione","C14 H16 N2 O2 S","S=C3NC1=C(C(O)CCC1)C(c2cccc(O)c2)N3;O[CH]1CCCC2=C1[CH](NC(=S)N2)c3cccc(O)c3;c1cc(cc(c1)O)C2C3=C(CCCC3O)NC(=S)N2","InChI=1S/C14H16N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,11,13,17-18H,2,5-6H2,(H2,15,16,19)/t11-,13+/m1/s1","","2009-10-08","2011-06-04","(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione",""],["K5F","N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C21 H20 N6 O2","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)C;CN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4;Cn1c(c(cn1)C(=O)N(C)C)C(=O)Nc2ccn3cc(nc3c2)c4ccccc4","InChI=1S/C21H20N6O2/c1-25(2)21(29)16-12-22-26(3)19(16)20(28)23-15-9-10-27-13-17(24-18(27)11-15)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,28)","","2022-02-03","2022-10-07","N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["K5G","4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide","C14 H16 Br N O3 S","Brc2cc(OCCCC(NC1C(SCC1)=O)=O)ccc2;Brc1cccc(OCCCC(=O)N[CH]2CCSC2=O)c1;c1cc(cc(c1)Br)OCCCC(=O)NC2CCSC2=O","InChI=1S/C14H16BrNO3S/c15-10-3-1-4-11(9-10)19-7-2-5-13(17)16-12-6-8-20-14(12)18/h1,3-4,9,12H,2,5-8H2,(H,16,17)/t12-/m0/s1","","2018-10-30","2019-03-29","4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide","2019-04-03"],["K5H","(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid","C6 H10 F3 N O4 S","N[CH](CSCC(O)(O)C(F)(F)F)C(O)=O;C(C(C(=O)O)N)SCC(C(F)(F)F)(O)O","InChI=1S/C6H10F3NO4S/c7-6(8,9)5(13,14)2-15-1-3(10)4(11)12/h3,13-14H,1-2,10H2,(H,11,12)/t3-/m0/s1","","2019-04-26","2024-09-27","(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid","2019-07-31"],["K5I","2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid","C19 H11 F3 N2 O2 S2","OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)c2sccc2)c3ccccc3;c1ccc(cc1)C(C(=O)O)Sc2c(c(cc(n2)c3cccs3)C(F)(F)F)C#N","InChI=1S/C19H11F3N2O2S2/c20-19(21,22)13-9-14(15-7-4-8-27-15)24-17(12(13)10-23)28-16(18(25)26)11-5-2-1-3-6-11/h1-9,16H,(H,25,26)","","2022-05-19","2022-11-11","2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid","2022-11-16"],["K5J","4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide","C17 H21 N O5 S","c1(cccc(c1)S(C)(=O)=O)OCCCC(NC3CC2CC2C3=O)=O;C[S](=O)(=O)c1cccc(OCCCC(=O)N[CH]2C[CH]3C[CH]3C2=O)c1;CS(=O)(=O)c1cccc(c1)OCCCC(=O)NC2CC3CC3C2=O","InChI=1S/C17H21NO5S/c1-24(21,22)13-5-2-4-12(10-13)23-7-3-6-16(19)18-15-9-11-8-14(11)17(15)20/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t11-,14-,15-/m1/s1","","2018-10-31","2019-03-29","4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide","2019-04-03"],["K5K","2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid","C21 H20 Cl2 N2 O6 S","Cn1c(cc2c(Cl)c(Cl)c(C)cc12)C(=O)N[CH](CO)c3ccc(cc3)[S](=O)(=O)CC(O)=O;Cc1cc2c(cc(n2C)C(=O)NC(CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl","InChI=1S/C21H20Cl2N2O6S/c1-11-7-16-14(20(23)19(11)22)8-17(25(16)2)21(29)24-15(9-26)12-3-5-13(6-4-12)32(30,31)10-18(27)28/h3-8,15,26H,9-10H2,1-2H3,(H,24,29)(H,27,28)/t15-/m1/s1","","2019-04-26","2019-08-02","2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid","2019-08-07"],["K5L","(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid","C6 H9 N O6","N[CH](COC(=O)CC(O)=O)C(O)=O;C(C(C(=O)O)N)OC(=O)CC(=O)O","InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m1/s1","","2017-01-25","2024-10-02","(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid","2018-01-24"],["K5M","4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide","C17 H21 N O5 S","c3(OCCCC(NC2CC1CC1C2=O)=O)cccc(c3)S(C)(=O)=O;C[S](=O)(=O)c1cccc(OCCCC(=O)N[CH]2C[CH]3C[CH]3C2=O)c1;CS(=O)(=O)c1cccc(c1)OCCCC(=O)NC2CC3CC3C2=O","InChI=1S/C17H21NO5S/c1-24(21,22)13-5-2-4-12(10-13)23-7-3-6-16(19)18-15-9-11-8-14(11)17(15)20/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t11-,14-,15-/m0/s1","","2018-10-31","2019-03-29","4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide","2019-04-03"],["K5N","2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide","C21 H22 N4 O4 S","C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(=O)N[S](C)(=O)=O;CC(c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3","InChI=1S/C21H22N4O4S/c1-14(15-9-11-17(12-10-15)20(26)24-30(3,28)29)22-21(27)19-13-18(23-25(19)2)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1","","2019-04-26","2019-08-02","2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide","2019-08-07"],["K5O","Ziftomenib","C33 H42 F3 N9 O2 S2","CS(=O)(=O)N1CCN(CC1)C(C)Cn1c2ccc(CN3CCC(CC3)Nc3nc(nc4sc(cc34)CC(F)(F)F)NC)c(C)c2cc1C#N;CNc1nc(NC2CCN(CC2)Cc3ccc4n(C[CH](C)N5CCN(CC5)[S](C)(=O)=O)c(cc4c3C)C#N)c6cc(CC(F)(F)F)sc6n1;Cc1c(ccc2c1cc(n2CC(C)N3CCN(CC3)S(=O)(=O)C)C#N)CN4CCC(CC4)Nc5c6cc(sc6nc(n5)NC)CC(F)(F)F","InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1","","2023-06-02","2024-11-15","1-{(2S)-2-[4-(methanesulfonyl)piperazin-1-yl]propyl}-4-methyl-5-[(4-{[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2024-11-20"],["K5P","(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","C27 H27 N O4","c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C;COc1ccc(cc1)[CH]2[CH](C(O)=O)c3ccccc3C(=O)N2c4ccc(cc4)C(C)(C)C;CC(C)(C)c1ccc(cc1)N2C(C(c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC","InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1","","2018-10-31","2018-12-14","(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","2018-12-19"],["K5Q","(2S)-6-[(E)-[(2E)-2-hydroxyimino-3H-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C22 H19 N O7","O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)C=C4/c3ccccc3CC4=NO;ON=C1Cc2ccccc2C1=Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;c1ccc2c(c1)CC(=NO)C2=Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C22H19NO7/c24-19(25)8-6-14-11-29-21-18(30-14)7-5-13(20(21)22(26)27)9-16-15-4-2-1-3-12(15)10-17(16)23-28/h1-5,7,9,14,28H,6,8,10-11H2,(H,24,25)(H,26,27)/b16-9+,23-17+/t14-/m0/s1","","2013-11-25","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{(E)-[(2E)-2-(hydroxyimino)-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-12-04"],["K5R","6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C21 H21 N7 O2","O=C(Nc1cnccc1C(=O)N(C)C)c1nc(ccc1Nc1cncnc1)C1CC1;CN(C)C(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;CN(C)C(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C21H21N7O2/c1-28(2)21(30)15-7-8-22-11-18(15)27-20(29)19-17(25-14-9-23-12-24-10-14)6-5-16(26-19)13-3-4-13/h5-13,25H,3-4H2,1-2H3,(H,27,29)","","2022-02-03","2022-10-07","6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["K5S","[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid","C29 H27 Cl F N O5","Fc1ccc5c(c1)C(=O)N(c2cc(Cl)c(C(C)(C)C)cc2)C(c4cc3OCCOc3cc4)C5CC(O)=O;CC(C)(C)c1ccc(cc1Cl)N2[CH]([CH](CC(O)=O)c3ccc(F)cc3C2=O)c4ccc5OCCOc5c4;CC(C)(C)c1ccc(cc1Cl)N2C(C(c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5","InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1","","2018-10-31","2018-12-14","[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid","2018-12-19"],["K5T","(2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid","C27 H47 N11 O11","C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[CH](C)C(O)=O)C(N)=O;CC(C(=O)NC(CCC(=O)NC(CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(C)C(=O)O)C(=O)N)N","InChI=1S/C27H47N11O11/c1-14(29)25(46)38-16(24(30)45)6-7-18(39)37-17(26(47)36-15(2)27(48)49)5-3-4-8-31-20(41)10-33-22(43)12-35-23(44)13-34-21(42)11-32-19(40)9-28/h14-17H,3-13,28-29H2,1-2H3,(H2,30,45)(H,31,41)(H,32,40)(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,39)(H,38,46)(H,48,49)/t14-,15+,16+,17-/m0/s1","","2019-04-26","2019-10-11","(2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid","2019-10-16"],["K5U","2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide","C16 H13 Cl N4 O S","Clc1ccccc1Nc2scc(n2)C(=O)NCc3ccccn3;c1ccc(c(c1)Nc2nc(cs2)C(=O)NCc3ccccn3)Cl","InChI=1S/C16H13ClN4OS/c17-12-6-1-2-7-13(12)20-16-21-14(10-23-16)15(22)19-9-11-5-3-4-8-18-11/h1-8,10H,9H2,(H,19,22)(H,20,21)","","2022-05-19","2022-11-11","2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide","2022-11-16"],["K5V","3-aminophenol","C6 H7 N O","c1(cc(N)ccc1)O;Nc1cccc(O)c1;c1cc(cc(c1)O)N","InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2","","2018-10-31","2018-12-21","3-aminophenol","2018-12-26"],["K5W","2,3-bis(fluoranyl)benzenesulfonamide","C6 H5 F2 N O2 S","N[S](=O)(=O)c1cccc(F)c1F;c1cc(c(c(c1)S(=O)(=O)N)F)F","InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)","","2019-04-29","2020-04-10","2,3-bis(fluoranyl)benzenesulfonamide","2020-04-15"],["K5X","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 F N2 O8 P","C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O)F","InChI=1S/C10H14FN2O8P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1","","2022-09-09","2025-07-11","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-07-16"],["K5Y","salmeterol","C25 H37 N O4","c1c(cccc1)CCCCOCCCCCCNCC(O)c2cc(c(cc2)O)CO;OCc1cc(ccc1O)[CH](O)CNCCCCCCOCCCCc2ccccc2;c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)O)O","InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t25-/m0/s1","2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol","2018-11-01","2021-03-01","2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol","2018-11-14"],["K5Z","5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide","C14 H17 N3 S","NCCCc1sc(cc1c2ccccc2)C(N)=N;c1ccc(cc1)c2cc(sc2CCCN)C(=N)N","InChI=1S/C14H17N3S/c15-8-4-7-12-11(9-13(18-12)14(16)17)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,16,17)","","2019-04-29","2020-06-12","5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["K60","5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr\nifluoromethyl)phenyl]-5-oxazolidinecarboxamide","C32 H34 F3 N3 O8 S","FC(F)(F)c1cc(ccc1)N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4OCOc4c3)C5;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)[S](=O)(=O)c4ccc5OCOc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C32H34F3N3O8S/c1-20(2)16-37(47(42,43)24-11-12-27-28(15-24)45-19-44-27)17-26(39)25(13-21-7-4-3-5-8-21)36-30(40)29-18-38(31(41)46-29)23-10-6-9-22(14-23)32(33,34)35/h3-12,14-15,20,25-26,29,39H,13,16-19H2,1-2H3,(H,36,40)/t25-,26+,29-/m0/s1","(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[3-(trifluoro\nmethyl)phenyl]-1,3-oxazolidine-5-carboxamide","2009-03-06","2020-06-17","(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide",""],["K62","(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr\nopyl]-2-oxo-5-oxazolidinecarboxamide","C33 H37 N3 O9 S","O=C(c1cc(ccc1)N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4OCOc4c3)C5)C;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CN(C(=O)O2)c3cccc(c3)C(C)=O)[S](=O)(=O)c4ccc5OCOc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C33H37N3O9S/c1-21(2)17-35(46(41,42)26-12-13-29-30(16-26)44-20-43-29)18-28(38)27(14-23-8-5-4-6-9-23)34-32(39)31-19-36(33(40)45-31)25-11-7-10-24(15-25)22(3)37/h4-13,15-16,21,27-28,31,38H,14,17-20H2,1-3H3,(H,34,39)/t27-,28+,31-/m0/s1","(5S)-3-(3-acetylphenyl)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-\noxo-1,3-oxazolidine-5-carboxamide","2009-03-06","2020-06-17","(5S)-3-(3-acetylphenyl)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-1,3-oxazolidine-5-carboxamide",""],["K63","N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine","C27 H22 F N3 O3","O=C(O)C(C)Nc1c2cc(F)ccc2nc(c1C#N)c1ccc(cc1)c1ccccc1OCC;CCOc1ccccc1c2ccc(cc2)c3nc4ccc(F)cc4c(N[CH](C)C(O)=O)c3C#N;CCOc1ccccc1c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)NC(C)C(=O)O)C#N","InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1","","2022-02-03","2022-10-07","N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine","2022-10-12"],["K64","3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL-BUTYRYL]-5,5- DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 2-METHYL-BENZYLAMIDE","C32 H37 N3 O5 S","O=C(NCc1ccccc1C)C4N(C(O)C(=O)C(NC(=O)c2cccc(O)c2C)Cc3ccccc3)CSC4(C)C;Cc1ccccc1CNC(=O)[CH]2N(CSC2(C)C)[CH](O)C(=O)[CH](Cc3ccccc3)NC(=O)c4cccc(O)c4C;Cc1ccccc1CNC(=O)C2C(SCN2C(C(=O)C(Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C","InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,28,31,36,40H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,28+,31+/m0/s1","(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL) AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE","2002-10-14","2021-03-13","(4R)-3-[(1R,3S)-1-hydroxy-3-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}-2-oxo-4-phenylbutyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide",""],["K65","~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide","C14 H13 N3 O S","NC(=N)c1scc(c1)c2ccccc2NC(=O)C=C;C=CC(=O)Nc1ccccc1c2cc(sc2)C(=N)N","InChI=1S/C14H13N3OS/c1-2-13(18)17-11-6-4-3-5-10(11)9-7-12(14(15)16)19-8-9/h2-8H,1H2,(H3,15,16)(H,17,18)","","2019-04-29","2020-06-12","~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide","2020-06-17"],["K66","[4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid","C11 H9 Br4 N3 O2","CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC(O)=O;CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br","InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)","","2009-12-04","2011-06-04","2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]ethanoic acid",""],["K67","N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)","C29 H30 N2 O7 S2","O=S(=O)(Nc2c1ccccc1c(cc2CC(C)=O)NS(=O)(=O)c3ccc(cc3)OCC)c4ccc(cc4)OCC;CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CC(C)=O)c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24;CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C","InChI=1S/C29H30N2O7S2/c1-4-37-22-10-14-24(15-11-22)39(33,34)30-28-19-21(18-20(3)32)29(27-9-7-6-8-26(27)28)31-40(35,36)25-16-12-23(13-17-25)38-5-2/h6-17,19,30-31H,4-5,18H2,1-3H3","","2015-06-04","2016-05-20","N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)","2016-05-25"],["K68","(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid","C9 H4 Br4 N2 O2","OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12;c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br","InChI=1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)","","2009-12-04","2011-06-04","2-(4,5,6,7-tetrabromobenzimidazol-1-yl)ethanoic acid",""],["K69","1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one","C17 H20 N6 O2","CN1C(=O)N(C)c2cc(Nc3cc(ncn3)N4CCOCC4)ccc12;CN1c2ccc(cc2N(C1=O)C)Nc3cc(ncn3)N4CCOCC4","InChI=1S/C17H20N6O2/c1-21-13-4-3-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)","","2022-05-19","2022-11-11","1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one","2022-11-16"],["K6B","7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide","C14 H12 N4 S","NC(=N)c1sc2c(cccc2c3cccc(N)n3)c1;c1cc2cc(sc2c(c1)c3cccc(n3)N)C(=N)N","InChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17)","","2019-04-30","2020-06-12","7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide","2020-06-17"],["K6C","4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide","C26 H27 N5 O3","CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC;COc1ccc(OC)c(c1)c2ccc(cn2)c3cn(CCc4ccc(cc4)C(=O)N(C)C)nn3;CN(C)C(=O)c1ccc(cc1)CCn2cc(nn2)c3ccc(nc3)c4cc(ccc4OC)OC","InChI=1S/C26H27N5O3/c1-30(2)26(32)19-7-5-18(6-8-19)13-14-31-17-24(28-29-31)20-9-11-23(27-16-20)22-15-21(33-3)10-12-25(22)34-4/h5-12,15-17H,13-14H2,1-4H3","","2023-08-10","2024-04-19","4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide","2024-04-24"],["K6F","6-chloro-2,3-dimethylquinoxaline","C10 H9 Cl N2","Clc1cc2nc(C)c(C)nc2cc1;Cc1nc2ccc(Cl)cc2nc1C;Cc1c(nc2cc(ccc2n1)Cl)C","InChI=1S/C10H9ClN2/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,1-2H3","","2022-02-03","2022-10-07","6-chloro-2,3-dimethylquinoxaline","2022-10-12"],["K6G","[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate","C24 H51 N O7 P","CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C)(C)C)O","InChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29)","","2018-11-01","2020-08-28","[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate","2020-09-02"],["K6H","(2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid","C6 H5 Cl O4","O=C1OC(C=C1)C(Cl)C(=O)O;OC(=O)[CH](Cl)[CH]1OC(=O)C=C1;C1=CC(=O)OC1C(C(=O)O)Cl","InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/t3-,5+/m1/s1","5-CHLOROMUCONOLACTONE","2013-02-20","2021-03-01","(2S)-chloro[(2R)-5-oxo-2,5-dihydrofuran-2-yl]ethanoic acid","2013-03-06"],["K6I","~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide","C19 H20 F N5 O2 S","CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F;CC(C)CCN1C(=O)c2c(nccn2)N=C1SCC(=O)Nc3ccccc3F","InChI=1S/C19H20FN5O2S/c1-12(2)7-10-25-18(27)16-17(22-9-8-21-16)24-19(25)28-11-15(26)23-14-6-4-3-5-13(14)20/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,23,26)","","2022-05-19","2022-12-23","~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide","2022-11-16"],["K6K","3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","C26 H30 N10 O3","COc1nnc2ccc(nn12)N(C)CCOc3ccc(cc3)C4CCN(CC4)c5ccc6nnc(OC)n6n5;CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC","InChI=1S/C26H30N10O3/c1-33(23-10-8-21-27-29-25(37-2)35(21)31-23)16-17-39-20-6-4-18(5-7-20)19-12-14-34(15-13-19)24-11-9-22-28-30-26(38-3)36(22)32-24/h4-11,19H,12-17H2,1-3H3","","2015-08-19","2016-09-23","3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","2016-09-28"],["K6L","[(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","C20 H34 N O6 P","CCCCCCc1ccccc1CCCCC(=O)N[CH](CO)CO[P](O)(O)=O;CCCCCCc1ccccc1CCCCC(=O)NC(CO)COP(=O)(O)O","InChI=1S/C20H34NO6P/c1-2-3-4-5-10-17-11-6-7-12-18(17)13-8-9-14-20(23)21-19(15-22)16-27-28(24,25)26/h6-7,11-12,19,22H,2-5,8-10,13-16H2,1H3,(H,21,23)(H2,24,25,26)/t19-/m1/s1","","2022-09-11","2022-09-30","[(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","2022-10-05"],["K6M","N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide","C15 H21 F3 N2 O","N(CCCNC(C)(C)C)C(c1cc(ccc1)C(F)(F)F)=O;CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F;CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F","InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21)","","2018-11-01","2019-11-22","N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide","2019-11-27"],["K6N","7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide","C13 H13 N5 S","Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N;Cc1cn(nc1N)c2cccc3c2sc(c3)C(=N)N","InChI=1S/C13H13N5S/c1-7-6-18(17-13(7)16)9-4-2-3-8-5-10(12(14)15)19-11(8)9/h2-6H,1H3,(H3,14,15)(H2,16,17)","","2019-04-30","2020-06-12","7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide","2020-06-17"],["K6O","ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate","C19 H23 N7 O4 S","O=C(c1cnn(C)c1C(=O)Nc1cc(C)nc(NC(=S)NC(=O)OCC)c1)N1CCC1;CCOC(=O)NC(=S)Nc1cc(NC(=O)c2n(C)ncc2C(=O)N3CCC3)cc(C)n1;CCOC(=O)NC(=S)Nc1cc(cc(n1)C)NC(=O)c2c(cnn2C)C(=O)N3CCC3","InChI=1S/C19H23N7O4S/c1-4-30-19(29)24-18(31)23-14-9-12(8-11(2)21-14)22-16(27)15-13(10-20-25(15)3)17(28)26-6-5-7-26/h8-10H,4-7H2,1-3H3,(H3,21,22,23,24,27,29,31)","","2022-02-03","2022-10-07","ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate","2022-10-12"],["K6P","N-[3-(tert-butylamino)propyl]-3-iodobenzamide","C14 H21 I N2 O","N(C(c1cc(ccc1)I)=O)CCCNC(C)(C)C;CC(C)(C)NCCCNC(=O)c1cccc(I)c1;CC(C)(C)NCCCNC(=O)c1cccc(c1)I","InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)","","2018-11-01","2019-11-22","N-[3-(tert-butylamino)propyl]-3-iodobenzamide","2019-11-27"],["K6Q","4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine","C16 H20 F N","CC=CN1CCC(CC1)C=Cc2ccc(F)cc2;CC=CN1CCC(CC1)C=Cc2ccc(cc2)F","InChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+","","2019-04-30","2020-01-24","4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine","2020-01-29"],["K6R","2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile","C13 H10 Cl N3","Clc1nccc(NCc2ccccc2)c1C#N;c1ccc(cc1)CNc2ccnc(c2C#N)Cl","InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17)","","2022-05-19","2022-11-11","2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile","2022-11-16"],["K6S","N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide","C17 H28 N2 O","N(CCCNC(C)(C)C)C(c1cc(C(C)C)ccc1)=O;CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C;CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C","InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)","","2018-11-01","2019-11-22","N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide","2019-11-27"],["K6T","5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide","C17 H16 N4 S","NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(sc2Nc3cccc(c3)N)C(=N)N","InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)","","2019-04-30","2020-06-12","5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["K6U","(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole","C9 H8 N2 O2","COc1ccccc1c1nnco1;COc1ccccc1c2ocnn2;COc1ccccc1c2nnco2","InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3","","2023-08-10","2024-04-19","(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole","2024-04-24"],["K6V","N-[(2S)-1-hydroxypropan-2-yl]butanamide","C7 H15 N O2","C(C(C)NC(CCC)=O)O;CCCC(=O)N[CH](C)CO;CCCC(=O)NC(C)CO","InChI=1S/C7H15NO2/c1-3-4-7(10)8-6(2)5-9/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1","","2018-11-02","2019-02-08","N-[(2S)-1-hydroxypropan-2-yl]butanamide","2019-02-13"],["K6W","4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide","C18 H16 N2 S","NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3;c1ccc(cc1)Cc2c(cc(s2)C(=N)N)c3ccccc3","InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)","","2019-04-30","2020-06-12","4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide","2020-06-17"],["K6X","3,4,5,6,7-pentabromo-1H-indazole","C7 H Br5 N2","Brc1n[nH]c2c(Br)c(Br)c(Br)c(Br)c12;c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br","InChI=1S/C7HBr5N2/c8-2-1-6(13-14-7(1)12)5(11)4(10)3(2)9/h(H,13,14)","","2009-12-04","2011-06-04","3,4,5,6,7-pentabromo-1H-indazole",""],["K6Y","(5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide","C24 H22 F N5 O4","c1(cc(C)on1)C(C)(O)C#Cc2c(cc3c(c2)c5n(C4CC3C4)c(c(n5)C(N)=O)C(=O)NC)F;CNC(=O)c1n2C3CC(C3)c4cc(F)c(cc4c2nc1C(N)=O)C#C[C](C)(O)c5cc(C)on5;Cc1cc(no1)C(C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O","InChI=1S/C24H22FN5O4/c1-11-6-18(29-34-11)24(2,33)5-4-12-9-16-15(10-17(12)25)13-7-14(8-13)30-20(23(32)27-3)19(21(26)31)28-22(16)30/h6,9-10,13-14,33H,7-8H2,1-3H3,(H2,26,31)(H,27,32)/t13-,14+,24-/m1/s1","","2018-11-02","2019-08-02","(5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide","2019-08-07"],["K6Z","4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide","C17 H15 N3 S","NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(sc2Nc3ccccc3)C(=N)N","InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)","","2019-04-30","2020-06-12","4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide","2020-06-17"],["K70","10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium","C19 H16 N3 O2 S","C(=O)(NO)c4ccc(C[n+]3c1ccccc1sc2cccnc23)cc4;ONC(=O)c1ccc(C[N+]2=C3C=CC=CC3=[SH]c4cccnc24)cc1;c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO","InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,25H,12H2,(H-,21,23,24)/p+1","","2017-06-17","2018-06-22","10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium","2018-06-27"],["K71","3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid","C9 H16 O8","COC1CC(O)(C(O)=O)OC(C1O)C(CO)O;CO[CH]1C[C](O)(O[CH]([CH](O)CO)[CH]1O)C(O)=O;COC1CC(OC(C1O)C(CO)O)(C(=O)O)O","InChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1","","2018-11-05","2022-04-15","3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid","2022-04-20"],["K72","1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine","C17 H20 F3 N","CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F;CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F","InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+","","2019-04-30","2020-01-24","1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine","2020-01-29"],["K73","(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide","C22 H28 N4 O2","NCc1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)cc1;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(cc3)CN)N","InChI=1S/C22H28N4O2/c23-14-17-8-10-18(11-9-17)15-25-21(27)20-7-4-12-26(20)22(28)19(24)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20H,4,7,12-15,23-24H2,(H,25,27)/t19-,20+/m1/s1","","2019-10-15","2020-11-13","(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide","2020-11-18"],["K74","N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide","C11 H9 Br4 N3 O S","CNC(=O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C;CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br","InChI=1S/C11H9Br4N3OS/c1-16-4(19)3-20-11-17-9-7(14)5(12)6(13)8(15)10(9)18(11)2/h3H2,1-2H3,(H,16,19)","","2009-12-04","2011-06-04","N-methyl-2-(4,5,6,7-tetrabromo-1-methyl-benzimidazol-2-yl)sulfanyl-ethanamide",""],["K75","(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine","C13 H14 N6","CNc1[nH]c2cc3N=C(N)N[CH](C#CC)c3cc2n1;CC#CC1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC","InChI=1S/C13H14N6/c1-3-4-8-7-5-10-11(19-13(15-2)18-10)6-9(7)17-12(14)16-8/h5-6,8H,1-2H3,(H3,14,16,17)(H2,15,18,19)/t8-/m1/s1","","2019-05-01","2020-05-29","(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine","2020-06-03"],["K76","(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one","C16 H10 F8 N4 O","O=C(C=C/n1nc(nc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CC(F)(F)C3;FC1(F)CN(C1)C(=O)C=Cn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F;c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F","InChI=1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1+","","2014-11-07","2024-09-27","(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one","2015-07-15"],["K78","2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol","C20 H26 Br N O","Brc1cc(cc(c1O)CNCCCc2ccccc2)C(C)(C)C;CC(C)(C)c1cc(Br)c(O)c(CNCCCc2ccccc2)c1;CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2","InChI=1S/C20H26BrNO/c1-20(2,3)17-12-16(19(23)18(21)13-17)14-22-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13,22-23H,7,10-11,14H2,1-3H3","","2015-02-12","2015-05-08","2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol","2015-05-13"],["K79","3-[1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C20 H11 F5 N4 O2","FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccc(F)cc1F;Fc1ccc(n2nccc2C3=NN(C=CC3=O)c4cccc(OC(F)(F)F)c4)c(F)c1;c1cc(cc(c1)OC(F)(F)F)N2C=CC(=O)C(=N2)c3ccnn3c4ccc(cc4F)F","InChI=1S/C20H11F5N4O2/c21-12-4-5-16(15(22)10-12)29-17(6-8-26-29)19-18(30)7-9-28(27-19)13-2-1-3-14(11-13)31-20(23,24)25/h1-11H","","2022-02-03","2022-10-07","3-[1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2022-10-12"],["K7A","5-hydroxypyrazine-2,3-dicarboxylic acid","C6 H4 N2 O5","c1(c(C(O)=O)ncc(n1)O)C(O)=O;OC(=O)c1ncc(O)nc1C(O)=O;c1c(nc(c(n1)C(=O)O)C(=O)O)O","InChI=1S/C6H4N2O5/c9-2-1-7-3(5(10)11)4(8-2)6(12)13/h1H,(H,8,9)(H,10,11)(H,12,13)","","2018-11-05","2019-11-01","5-hydroxypyrazine-2,3-dicarboxylic acid","2019-11-06"],["K7C","(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine","C25 H30 F N5 O","Fc1ccc(cc1)c1c(c(nc(C2CCCC2)c1C)C1(COC)CCCC1)c1nnn[NH]1;COCC1(CCCC1)c2nc(C3CCCC3)c(C)c(c4ccc(F)cc4)c2c5[nH]nnn5;Cc1c(c(c(nc1C2CCCC2)C3(CCCC3)COC)c4[nH]nnn4)c5ccc(cc5)F","InChI=1S/C25H30FN5O/c1-16-20(17-9-11-19(26)12-10-17)21(24-28-30-31-29-24)23(25(15-32-2)13-5-6-14-25)27-22(16)18-7-3-4-8-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,28,29,30,31)","","2023-05-05","2023-06-09","(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine","2023-06-14"],["K7D","4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid","C16 H11 N O3","c3c(c1cccc2c1NC=C(C(=O)O)C2=O)cccc3;OC(=O)C1=CNc2c(cccc2c3ccccc3)C1=O;c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O","InChI=1S/C16H11NO3/c18-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20)","","2018-11-05","2019-11-01","4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid","2019-11-06"],["K7E","sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper","Cu4 H S2","S[Cu][S]([Cu])([Cu])[Cu];S[Cu]S([Cu])([Cu])[Cu]","InChI=1S/4Cu.H2S.S/h;;;;1H2;/q;;;+1;;/p-1","","2019-05-01","2021-01-22","sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper","2021-01-27"],["K7F","4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide","C31 H31 N7 O2","NC(=O)c1ccc(cc1)CN2CCC(CC2)Nc5nc(Oc3c(cc(cc3C)C#N)C)c(c4ccncc4)cn5;Cc1cc(cc(C)c1Oc2nc(NC3CCN(CC3)Cc4ccc(cc4)C(N)=O)ncc2c5ccncc5)C#N;Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N","InChI=1S/C31H31N7O2/c1-20-15-23(17-32)16-21(2)28(20)40-30-27(24-7-11-34-12-8-24)18-35-31(37-30)36-26-9-13-38(14-10-26)19-22-3-5-25(6-4-22)29(33)39/h3-8,11-12,15-16,18,26H,9-10,13-14,19H2,1-2H3,(H2,33,39)(H,35,36,37)","","2020-12-02","2021-03-26","4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide","2021-03-31"],["K7G","thiapronil","C18 H11 Cl N2 O S","c1(c(cccc1)Cl)C(/C(C#N)=C2/NC(=CS2)c3ccccc3)=O;Clc1ccccc1C(=O)C(C#N)=C2NC(=CS2)c3ccccc3;c1ccc(cc1)C2=CSC(=C(C#N)C(=O)c3ccccc3Cl)N2","InChI=1S/C18H11ClN2OS/c19-15-9-5-4-8-13(15)17(22)14(10-20)18-21-16(11-23-18)12-6-2-1-3-7-12/h1-9,11,21H/b18-14-","(2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2(3H)-ylidene)propanenitrile","2018-11-05","2021-03-13","(2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2(3H)-ylidene)propanenitrile","2019-10-16"],["K7H","~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine","C10 H12 N6","CNc1[nH]c2cc3N=C(N)NCc3cc2n1;CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N","InChI=1S/C10H12N6/c1-12-10-15-7-2-5-4-13-9(11)14-6(5)3-8(7)16-10/h2-3H,4H2,1H3,(H3,11,13,14)(H2,12,15,16)","","2019-05-01","2020-05-29","~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine","2020-06-03"],["K7I","L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide","C16 H25 N3 O3","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C;C[CH](N)C(=O)N[CH](C)C(=O)N[CH](Cc1ccccc1)[CH](C)O;CC(C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(C)N)O","InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1","ALA-ALA-PHE-CHLOROMETHYL KETONE","2007-11-12","2024-09-27","L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide",""],["K7J","N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide","C25 H35 Cl N4 O7","O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2;C[CH](NC(=O)CCC(O)=O)C(=O)N[CH](C)C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[CH](O)CCl;CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(CCl)O)NC(=O)CCC(=O)O","InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1","SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE","2007-11-12","2024-09-27","N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide",""],["K7K","2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal","C19 H26 N3 O6 P","CCCCCC[P](=O)(OC[CH](N)C(O)=O)Oc1cccnc1c2ncccc2O;CCCCCCP(=O)(OCC(C(=O)O)N)Oc1cccnc1c2c(cccn2)O","InChI=1S/C19H26N3O6P/c1-2-3-4-5-12-29(26,27-13-14(20)19(24)25)28-16-9-7-11-22-18(16)17-15(23)8-6-10-21-17/h6-11,14,23H,2-5,12-13,20H2,1H3,(H,24,25)/t14-,29-/m0/s1","","2019-05-01","2024-09-27","(2~{S})-2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanoic acid","2019-12-25"],["K7L","(4S)-imidazo[1,2-a]pyrimidine-5,7-diol","C6 H5 N3 O2","Oc1nc2nccn2c(O)c1;Oc1cc(O)n2ccnc2n1;c1cn2c(cc(nc2n1)O)O","InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10)","","2023-08-10","2023-11-24","(4S)-imidazo[1,2-a]pyrimidine-5,7-diol","2023-11-29"],["K7M","(2R)-N-hydroxy-1-phenylpropan-2-amine","C9 H13 N O","c1ccccc1CC(C)NO;C[CH](Cc1ccccc1)NO;CC(Cc1ccccc1)NO","InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1","N-(1-phenylpropan-2-yl)hydroxylamine","2018-11-06","2020-11-06","(2R)-N-hydroxy-1-phenylpropan-2-amine","2020-11-11"],["K7N","5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide","C16 H17 N5 S","NCCn1cnc(c1)c2sc(cc2c3ccccc3)C(N)=N;c1ccc(cc1)c2cc(sc2c3cn(cn3)CCN)C(=N)N","InChI=1S/C16H17N5S/c17-6-7-21-9-13(20-10-21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)","","2019-05-01","2020-06-12","5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["K7O","(4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine","C18 H17 Cl2 N5","Cc1ccc2nc([NH]c2c1C)CCc1nc2c(Cl)cc(Cl)c(C)n2n1;Cc1ccc2nc(CCc3nn4c(C)c(Cl)cc(Cl)c4n3)[nH]c2c1C;Cc1ccc2c(c1C)[nH]c(n2)CCc3nc4c(cc(c(n4n3)C)Cl)Cl","InChI=1S/C18H17Cl2N5/c1-9-4-5-14-17(10(9)2)22-15(21-14)6-7-16-23-18-13(20)8-12(19)11(3)25(18)24-16/h4-5,8H,6-7H2,1-3H3,(H,21,22)","","2022-02-03","2023-05-11","(4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine","2022-10-12"],["K7P","4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide","C12 H17 N O7 S2","N[S](=O)(=O)c1ccc(S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;c1cc(ccc1SC2C(C(C(C(O2)CO)O)O)O)S(=O)(=O)N","InChI=1S/C12H17NO7S2/c13-22(18,19)7-3-1-6(2-4-7)21-12-11(17)10(16)9(15)8(5-14)20-12/h1-4,8-12,14-17H,5H2,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1","4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide","2022-05-19","2023-05-26","4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide","2023-05-31"],["K7Q","~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide","C13 H16 N4 O2 S","COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N;COc1ccc(c2c1sc(c2)C(=N)N)C(=O)NCCN","InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18)","","2019-05-01","2020-06-12","~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide","2020-06-17"],["K7R","1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone","C17 H18 N4 O S","O=C(Cc1cscc1)N2CCC[CH](C2)c3[nH]nc4ncccc34;c1cc2c([nH]nc2nc1)C3CCCN(C3)C(=O)Cc4ccsc4","InChI=1S/C17H18N4OS/c22-15(9-12-5-8-23-11-12)21-7-2-3-13(10-21)16-14-4-1-6-18-17(14)20-19-16/h1,4-6,8,11,13H,2-3,7,9-10H2,(H,18,19,20)/t13-/m0/s1","","2023-08-11","2024-08-16","1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone","2024-08-21"],["K7S","N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide","C23 H18 F3 N3 O2","c1(cc2c(cc1)N(C)C(N2)=O)c4cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc4C;CN1C(=O)Nc2cc(ccc12)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C;Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C23H18F3N3O2/c1-13-6-8-17(27-21(30)15-4-3-5-16(10-15)23(24,25)26)12-18(13)14-7-9-20-19(11-14)28-22(31)29(20)2/h3-12H,1-2H3,(H,27,30)(H,28,31)","","2018-11-08","2019-10-18","N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide","2019-10-23"],["K7U","6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine","C12 H13 F2 N3","Cc1cc(nc(N)c1)C#CCN1CC(F)(F)C1;Cc1cc(N)nc(c1)C#CCN2CC(F)(F)C2;Cc1cc(nc(c1)N)C#CCN2CC(C2)(F)F","InChI=1S/C12H13F2N3/c1-9-5-10(16-11(15)6-9)3-2-4-17-7-12(13,14)8-17/h5-6H,4,7-8H2,1H3,(H2,15,16)","","2022-02-03","2022-07-08","6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine","2022-07-13"],["K7V"," neo-Inositol pentakisphosphate","C6 H17 O21 P5","O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6-","","2018-01-31","2018-09-07","[(1~{S},2~{R},4~{S},5~{R})-3-oxidanyl-2,4,5,6-tetraphosphonooxy-cyclohexyl] dihydrogen phosphate","2018-09-12"],["K7X","2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide","C19 H17 Br F3 N3 O2","CCN(C(=O)COc1nc(C)c(Br)c(c1C#N)C(F)(F)F)c2cccc(C)c2;CCN(c1cccc(c1)C)C(=O)COc2c(c(c(c(n2)C)Br)C(F)(F)F)C#N","InChI=1S/C19H17BrF3N3O2/c1-4-26(13-7-5-6-11(2)8-13)15(27)10-28-18-14(9-24)16(19(21,22)23)17(20)12(3)25-18/h5-8H,4,10H2,1-3H3","","2022-05-19","2022-10-07","2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide","2022-10-12"],["K7Z","(2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid","C14 H18 Cl N O3 S","CC(C)[CH](NC(=O)CCSc1ccc(Cl)cc1)C(O)=O;CC(C)C(C(=O)O)NC(=O)CCSc1ccc(cc1)Cl","InChI=1S/C14H18ClNO3S/c1-9(2)13(14(18)19)16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1","","2019-05-02","2021-01-29","(2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid","2021-02-03"],["K80","(2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol","C12 H17 N O2","OC2C(c1ccc(cc1)C)NC(C)C2O;C[CH]1N[CH]([CH](O)[CH]1O)c2ccc(C)cc2;Cc1ccc(cc1)C2C(C(C(N2)C)O)O","InChI=1S/C12H17NO2/c1-7-3-5-9(6-4-7)10-12(15)11(14)8(2)13-10/h3-6,8,10-15H,1-2H3/t8-,10-,11+,12-/m0/s1","","2013-03-08","2013-09-13","(2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol","2013-09-18"],["K81","N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide","C25 H25 F3 N4 O4","c1(nc(OCCO)cc(c1)c2c(ccc(c2)NC(c3ccnc(c3)C(F)(F)F)=O)C)N4CCOCC4;Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1c3cc(OCCO)nc(c3)N4CCOCC4;Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F","InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)","","2018-11-08","2019-08-30","N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide","2019-09-04"],["K82","1-(3-chloro-4-propoxyphenyl)methanamine","C10 H14 Cl N O","Clc1cc(CN)ccc1OCCC;CCCOc1ccc(CN)cc1Cl;CCCOc1ccc(cc1Cl)CN","InChI=1S/C10H14ClNO/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6H,2,5,7,12H2,1H3","","2015-07-23","2016-07-22","1-(3-chloro-4-propoxyphenyl)methanamine","2016-07-27"],["K83","3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide","C28 H34 N2 O6 S","O=S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1cccc(O)c1)Cc2ccccc2)c3ccc(OC)cc3;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cccc(O)c3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC","InChI=1S/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/m0/s1","","2011-06-06","2012-06-01","3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide",""],["K84","(9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one","C25 H37 N3 O2","O=C(c1nnc(o1)c2ncccc2)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)c1oc(nn1)c2ccccn2;CCCCCCCCC=CCCCCCCCC(=O)c1nnc(o1)c2ccccn2","InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-","","2009-10-20","2024-09-27","(9Z)-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]octadec-9-en-1-one",""],["K85","propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate","C16 H18 F3 N3 O3","FC(F)(F)c2cc(c1ncn(n1)CCC(=O)OC(C)C)cc(OC)c2;COc1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)OC(C)C)n2;CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F","InChI=1S/C16H18F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h6-10H,4-5H2,1-3H3","KPT-185","2012-08-23","2024-09-27","propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate","2012-10-12"],["K86","4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide","C27 H29 N5 O6 S","COc1ccccc1Oc2c(N[S](=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4;CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC","InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)","","2017-03-09","2017-08-11","4-~{tert}-butyl-~{N}-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide","2017-08-16"],["K87","3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide","C36 H38 N6 O6 S","COc1ccccc1Oc2c(N[S](=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCC(=O)Nc4c(C)cccc4C)c5ncccn5;Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C","InChI=1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25(16-18-26)36(3,4)5/h7-18,20-21H,19,22H2,1-6H3,(H,39,43)(H,40,41,42)","","2017-03-09","2017-08-11","3-[6-[(4-~{tert}-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-~{N}-(2,6-dimethylphenyl)propanamide","2017-08-16"],["K88","(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE","C19 H21 N3 O3 S","O=S(=O)(c1cc2c(cc1)NC(=O)C/2=C/c3cc4c(n3)CCCC4)N(C)C;CN(C)[S](=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCCc4c3)c2c1;CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc3cc4c([nH]3)CCCC4)C(=O)N2","InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-","","2009-03-31","2011-06-04","(3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide",""],["K89","4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide","C18 H16 F4 N2 O4 S","OC1CCN(CC1)[S](=O)(=O)c2cc(ccc2F)C(=O)Nc3cc(F)c(F)c(F)c3;c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F","InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26)","","2016-09-06","2017-02-17","4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide","2017-02-22"],["K8A","3-bromo-5-(2H-tetrazol-5-yl)pyridine","C6 H4 Br N5","Brc2cncc(c1nnnn1)c2;Brc1cncc(c1)c2n[nH]nn2;c1c(cncc1Br)c2n[nH]nn2","InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)","","2013-04-29","2013-09-06","3-bromo-5-(2H-tetrazol-5-yl)pyridine","2013-09-11"],["K8B","4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine","C19 H29 N","CC=CN1CCC(CC1)CCc2ccc(cc2)C(C)C;CC=CN1CCC(CC1)CCc2ccc(cc2)C(C)C","InChI=1S/C19H29N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h4,7-10,13,16,18H,5-6,11-12,14-15H2,1-3H3/b13-4+","","2019-05-02","2020-01-24","4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine","2020-01-29"],["K8C","2-methylsulfanylpyrimidine-4-carbaldehyde","C6 H6 N2 O S","CSc1nccc(C=O)n1;CSc1nccc(n1)C=O","InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3","","2022-09-12","2023-12-22","2-methylsulfanylpyrimidine-4-carbaldehyde","2023-12-27"],["K8D","4-(methylamino)benzene-1,2-dicarboxylic acid","C9 H9 N O4","c1(cc(NC)ccc1C(O)=O)C(O)=O;CNc1ccc(C(O)=O)c(c1)C(O)=O;CNc1ccc(c(c1)C(=O)O)C(=O)O","InChI=1S/C9H9NO4/c1-10-5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)","","2018-11-08","2019-11-08","4-(methylamino)benzene-1,2-dicarboxylic acid","2019-11-13"],["K8F","6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine","C12 H17 F2 N3","Cc1cc(nc(N)c1)CCCN1CC(F)(F)C1;Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1;Cc1cc(nc(c1)N)CCCN2CC(C2)(F)F","InChI=1S/C12H17F2N3/c1-9-5-10(16-11(15)6-9)3-2-4-17-7-12(13,14)8-17/h5-6H,2-4,7-8H2,1H3,(H2,15,16)","","2022-02-03","2022-07-08","6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine","2022-07-13"],["K8G","4-nitrobenzene-1,2-dicarboxylic acid","C8 H5 N O6","C(O)(c1c(C(O)=O)ccc([N+](=O)[O-])c1)=O;OC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O","InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)","","2018-11-08","2019-11-08","4-nitrobenzene-1,2-dicarboxylic acid","2019-11-13"],["K8H","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol","C19 H28 N6 O3","Nc1ncnc2n(ccc12)[CH]3O[CH](CN4CCCC45CCNCC5)[CH](O)[CH]3O;c1cn(c2c1c(ncn2)N)C3C(C(C(O3)CN4CCCC45CCNCC5)O)O","InChI=1S/C19H28N6O3/c20-16-12-2-9-25(17(12)23-11-22-16)18-15(27)14(26)13(28-18)10-24-8-1-3-19(24)4-6-21-7-5-19/h2,9,11,13-15,18,21,26-27H,1,3-8,10H2,(H2,20,22,23)/t13-,14-,15-,18-/m1/s1","","2019-05-02","2020-05-29","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol","2020-06-03"],["K8I","(2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide","C21 H21 F3 N4 O2","CN(C(=O)[CH]1[CH](O)CCN1c2nc(C)cc(c2C#N)C(F)(F)F)c3cccc(C)c3;Cc1cccc(c1)N(C)C(=O)C2C(CCN2c3c(c(cc(n3)C)C(F)(F)F)C#N)O","InChI=1S/C21H21F3N4O2/c1-12-5-4-6-14(9-12)27(3)20(30)18-17(29)7-8-28(18)19-15(11-25)16(21(22,23)24)10-13(2)26-19/h4-6,9-10,17-18,29H,7-8H2,1-3H3/t17-,18+/m1/s1","","2022-05-19","2022-10-07","(2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide","2022-10-12"],["K8J","4-fluorobenzene-1,2-dicarboxylic acid","C8 H5 F O4","c1(cc(ccc1C(O)=O)F)C(O)=O;OC(=O)c1ccc(F)cc1C(O)=O;c1cc(c(cc1F)C(=O)O)C(=O)O","InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)","","2018-11-08","2019-11-08","4-fluorobenzene-1,2-dicarboxylic acid","2019-11-13"],["K8K","~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide","C20 H17 F2 N5 O2","Fc1cc(F)c2NC(=O)[CH](CCc2c1)NC(=O)c3[nH]nc(Cc4ccccc4)n3;c1ccc(cc1)Cc2nc([nH]n2)C(=O)NC3CCc4cc(cc(c4NC3=O)F)F","InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1","","2019-05-02","2019-06-28","~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide","2019-07-03"],["K8L","N-[(1,3-thiazol-5-yl)methyl]acetamide","C6 H8 N2 O S","O=C(C)NCc1cncs1;CC(=O)NCc1scnc1;CC(=O)NCc1cncs1","InChI=1S/C6H8N2OS/c1-5(9)8-3-6-2-7-4-10-6/h2,4H,3H2,1H3,(H,8,9)","","2023-08-10","2024-08-30","N-[(1,3-thiazol-5-yl)methyl]acetamide","2024-09-04"],["K8M","(3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide","C24 H19 Cl F3 N3 O2","c4c(NC(=O)C1CC(CN(C1)C(c3cc(cc(c2ccncc2)c3)F)=O)(F)F)ccc(c4)Cl;Fc1cc(cc(c1)c2ccncc2)C(=O)N3C[CH](CC(F)(F)C3)C(=O)Nc4ccc(Cl)cc4;c1cc(ccc1NC(=O)C2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl","InChI=1S/C24H19ClF3N3O2/c25-19-1-3-21(4-2-19)30-22(32)18-12-24(27,28)14-31(13-18)23(33)17-9-16(10-20(26)11-17)15-5-7-29-8-6-15/h1-11,18H,12-14H2,(H,30,32)/t18-/m1/s1","","2018-11-08","2019-07-05","(3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide","2019-07-10"],["K8N","(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop\nentane-1,2-diol","C22 H23 Br N6 O2","Nc1nc2cc(CC[CH]3C[CH]([CH](O)[CH]3O)n4ccc5c(N)ncnc45)ccc2cc1Br;c1cc2cc(c(nc2cc1CCC3CC(C(C3O)O)n4ccc5c4ncnc5N)N)Br","InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1","JNJ45031882","2019-05-02","2020-07-10","(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol","2020-07-15"],["K8O","6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine","C14 H17 F2 N3","Cc1cc(C#CCN2CCC(F)(F)CC2)nc(N)c1;Cc1cc(N)nc(c1)C#CCN2CCC(F)(F)CC2;Cc1cc(nc(c1)N)C#CCN2CCC(CC2)(F)F","InChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18)","","2022-02-03","2022-07-08","6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine","2022-07-13"],["K8P","[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate","C8 H16 N O7 P","C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C;CC(C(=O)C=C)NC(C(COP(=O)(O)O)O)O","InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1","","2016-08-11","2024-09-27","[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate","2017-01-18"],["K8Q","4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide","C19 H18 Br I N4 O2","Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12;c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I","InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)","","2019-05-03","2020-07-17","4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide","2020-07-22"],["K8R","~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide","C21 H24 N4 O2 S","O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2;c1ccc2c(c1)cccc2Nc3nc(cs3)C(=O)NCCCN4CCOCC4","InChI=1S/C21H24N4O2S/c26-20(22-9-4-10-25-11-13-27-14-12-25)19-15-28-21(24-19)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H,22,26)(H,23,24)","","2022-05-19","2022-12-23","~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide","2022-11-16"],["K8S","(3S)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide","C23 H19 Cl F2 N2 O3","c4c(NC(=O)C1CC(F)(F)CN(C1)C(c3cccc(c2occc2)c3)=O)ccc(c4)Cl;FC1(F)C[CH](CN(C1)C(=O)c2cccc(c2)c3occc3)C(=O)Nc4ccc(Cl)cc4;c1cc(cc(c1)C(=O)N2CC(CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4","InChI=1S/C23H19ClF2N2O3/c24-18-6-8-19(9-7-18)27-21(29)17-12-23(25,26)14-28(13-17)22(30)16-4-1-3-15(11-16)20-5-2-10-31-20/h1-11,17H,12-14H2,(H,27,29)/t17-/m0/s1","","2018-11-08","2019-07-05","(3S)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide","2019-07-10"],["K8T","2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide","C21 H20 N2 O3","OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O;c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O","InChI=1S/C21H20N2O3/c24-19-7-4-14-23(21(19)26)15-20(25)22-13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14,24H,12-13,15H2,(H,22,25)","","2019-05-03","2020-03-06","2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide","2020-03-11"],["K8U","[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate","C83 H150 O17 P2","CCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37,40,42,45,52,56,77-79,84H,5-21,24-25,28-33,36,38-39,41,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22+,27-23-,37-34-,40-35+,45-42+,56-52+/t77-,78+,79+/m1/s1","","2022-09-12","2023-05-19","[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate","2023-05-24"],["K8V","4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid","C13 H13 N O7","c1(NC(CCCC(=O)O)=O)ccc(c(c1)C(O)=O)C(O)=O;OC(=O)CCCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O;c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-7-4-5-8(12(18)19)9(6-7)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)","","2018-11-09","2019-06-28","4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid","2019-07-03"],["K8W","7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide","C15 H14 N4 S","Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N;Cc1ccc(nc1N)c2cccc3c2sc(c3)C(=N)N","InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)","","2019-05-06","2020-06-12","7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide","2020-06-17"],["K8X","4,5,6,7-tetraiodo-1H-benzimidazole","C7 H2 I4 N2","Ic1c(I)c(I)c2nc[nH]c2c1I;c1[nH]c2c(n1)c(c(c(c2I)I)I)I","InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)","","2009-12-04","2011-06-04","4,5,6,7-tetraiodo-1H-benzimidazole",""],["K8Y","4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid","C12 H11 N O7","c1c(cc(C(O)=O)c(C(O)=O)c1)NC(CCC(O)=O)=O;OC(=O)CCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O;c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C12H11NO7/c14-9(3-4-10(15)16)13-6-1-2-7(11(17)18)8(5-6)12(19)20/h1-2,5H,3-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)","","2018-11-09","2019-06-28","4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid","2019-07-03"],["K90","4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine","C14 H20 N4","Cc1cc(C#CCN2CCN(C)CC2)nc(N)c1;CN1CCN(CC1)CC#Cc2cc(C)cc(N)n2;Cc1cc(nc(c1)N)C#CCN2CCN(CC2)C","InChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16)","","2022-02-03","2022-07-08","4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine","2022-07-13"],["K91","4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol","C15 H9 Cl2 N O2","Clc3cc(Oc1ccc(Cl)c2cccnc12)c(O)cc3;Oc1ccc(Cl)cc1Oc2ccc(Cl)c3cccnc23;c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl","InChI=1S/C15H9Cl2NO2/c16-9-3-5-12(19)14(8-9)20-13-6-4-11(17)10-2-1-7-18-15(10)13/h1-8,19H","","2011-05-30","2012-02-24","4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol",""],["K92","5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide","C16 H17 N5 S","NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N;c1ccc(cc1)c2cc(sc2c3cncn3CCN)C(=N)N","InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)","","2019-05-06","2020-06-12","5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["K93","12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one","C20 H24 Lu N5 O4","OC(=O)c1cccc(CN2CCNCCN(CC2)Cc3cccc(n3)C(=O)O[Lu])n1;C1C[N]23CC[N]4([Lu]256([N]7=C(C3)C=CC=C7C(=O5)O)[N]8=C(C=CC=C8C4)C(=O)O6)CCN1","InChI=1S/C20H25N5O4.Lu/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);/q;+1/p-1","","2022-05-23","2022-08-22","12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one","2022-08-10"],["K94","4-(difluoromethyl)-L-leucine","C7 H13 F2 N O2","O=C(O)C(N)CC(C)(C)C(F)F;CC(C)(C[CH](N)C(O)=O)C(F)F;CC(C)(CC(C(=O)O)N)C(F)F","InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1","","2018-11-12","2019-04-05","4-(difluoromethyl)-L-leucine","2019-04-10"],["K95","(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami\nno}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C37 H44 N4 O6 S2","O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)C(NC(=O)Cc3ccccc3)CSC)Cc4ccccc4)CSC5(C)C;CSC[CH](NC(=O)Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccccc3)O)C(=O)NC4c5ccccc5CC4O)C","InChI=1S/C37H44N4O6S2/c1-37(2)33(35(46)40-31-26-17-11-10-16-25(26)20-29(31)42)41(22-49-37)36(47)32(44)27(18-23-12-6-4-7-13-23)39-34(45)28(21-48-3)38-30(43)19-24-14-8-5-9-15-24/h4-17,27-29,31-33,42,44H,18-22H2,1-3H3,(H,38,43)(H,39,45)(H,40,46)/t27-,28-,29+,31-,32-,33+/m0/s1","KNI-10395","2011-04-12","2020-06-17","(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["K96","N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide","C10 H18 N2 O3","O=C(NCC1CCCO1)N1CCOCC1;O=C(NC[CH]1CCCO1)N2CCOCC2;C1CC(OC1)CNC(=O)N2CCOCC2","InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)","","2023-08-10","2024-08-30","N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide","2024-09-04"],["K97","3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid","C14 H16 N2 O3","O=C(O)c3cc1c(c(cn1)CN2CCOCC2)cc3;OC(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1;c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3","InChI=1S/C14H16N2O3/c17-14(18)10-1-2-12-11(8-15-13(12)7-10)9-16-3-5-19-6-4-16/h1-2,7-8,15H,3-6,9H2,(H,17,18)","","2014-06-30","2014-09-12","3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid","2014-09-17"],["K99","(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","C9 H14 F2 O8","OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O;C(C(C(C1C(C(C(C(O1)(C(=O)O)F)F)O)O)O)O)O","InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1","(2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID","2010-11-26","2020-07-17","(2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",""],["K9A","5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine","C19 H22 N8","Nc1ncc(c(n1)N)N2CCN(CC2)c3cc(ccc3)c4cnc(nc4)C;Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(N)nc4N;Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N","InChI=1S/C19H22N8/c1-13-22-10-15(11-23-13)14-3-2-4-16(9-14)26-5-7-27(8-6-26)17-12-24-19(21)25-18(17)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,24,25)","","2018-11-12","2019-01-18","5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine","2019-01-23"],["K9B","(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid","C19 H29 B N3 O6","NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O;[B-]1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O","InChI=1S/C19H29BN3O6/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)29-20(16,27)28/h1-3,12,14,16,22,27-28H,4-11,21H2,(H,23,24)(H,25,26)/q-1/t12-,14-,16-/m0/s1","","2019-05-07","2019-10-18","(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid","2019-09-11"],["K9C","4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine","C10 H13 N3","Cc1cc(C#CCNC)nc(N)c1;CNCC#Cc1cc(C)cc(N)n1;Cc1cc(nc(c1)N)C#CCNC","InChI=1S/C10H13N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,5H2,1-2H3,(H2,11,13)","","2022-02-03","2022-07-08","4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine","2022-07-13"],["K9D","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide","C33 H35 N5 O4 S","O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN3C(=O)c4cccc5c(ccc(C3=O)c45)N6CCc7ccccc7C6;c1ccc2c(c1)CCN(C2)c3ccc4c5c3cccc5C(=O)N(C4=O)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7","InChI=1S/C33H35N5O4S/c39-28(11-4-3-10-27-30-25(19-43-27)35-33(42)36-30)34-15-17-38-31(40)23-9-5-8-22-26(13-12-24(29(22)23)32(38)41)37-16-14-20-6-1-2-7-21(20)18-37/h1-2,5-9,12-13,25,27,30H,3-4,10-11,14-19H2,(H,34,39)(H2,35,36,42)/t25-,27-,30-/m0/s1","","2022-05-23","2022-08-22","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide","2022-06-15"],["K9E","[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C12 H19 N2 O8 P","Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CO)(CO)CO)O","InChI=1S/C12H19N2O8P/c1-8-11(18)10(3-14-12(5-15,6-16)7-17)9(2-13-8)4-22-23(19,20)21/h2-3,15-18H,4-7H2,1H3,(H2,19,20,21)/b14-3+","","2022-09-13","2023-07-14","[4-[(~{E})-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2023-07-19"],["K9F","5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline","C20 H18 N4","Cn1cc(nc1CCc1cccc2nccnc12)c1ccccc1;Cn1cc(nc1CCc2cccc3nccnc23)c4ccccc4;Cn1cc(nc1CCc2cccc3c2nccn3)c4ccccc4","InChI=1S/C20H18N4/c1-24-14-18(15-6-3-2-4-7-15)23-19(24)11-10-16-8-5-9-17-20(16)22-13-12-21-17/h2-9,12-14H,10-11H2,1H3","","2022-02-03","2022-10-07","5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline","2022-10-12"],["K9G","[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate","C42 H83 N O8 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C42H83NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3,(H,46,47)/t40-/m1/s1","","2018-11-13","2023-03-17","[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate","2023-03-22"],["K9H","{2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid)","C17 H31 N O7 P2","O=P(O)(O)C(P(=O)(O)O)Cc1cncc(OCCCCCCCCCC)c1;CCCCCCCCCCOc1cncc(CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-10-25-16-11-15(13-18-14-16)12-17(26(19,20)21)27(22,23)24/h11,13-14,17H,2-10,12H2,1H3,(H2,19,20,21)(H2,22,23,24)","","2011-05-26","2012-05-18","{2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid)",""],["K9I","(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one","C26 H40 O7","CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC;CCC(CO)C=C(C)C1CC(CC(C(c2cccc(c2)CC(C(C(=O)O1)O)O)(C)C)O)OC","InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1","","2022-05-23","2022-11-18","(3~{R},4~{S},7~{S},9~{S},11~{S})-7-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-3,4,11-tris(oxidanyl)-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one","2022-11-23"],["K9J","1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one","C29 H38 N6 O3","c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O;CCC(=O)N1CCN(CC1)c2nc(O[CH](C)CN(C)C)nc3CN(CCc23)c4cc(O)cc5ccccc45;CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC(C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O","InChI=1S/C29H38N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h6-9,16-17,20,36H,5,10-15,18-19H2,1-4H3/t20-/m1/s1","","2018-11-14","2024-09-27","1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one","2018-12-12"],["K9K","(10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide","C19 H27 B N3 O5","NCCN[CH]1CC[CH](CC1)CC2=N[CH]3Cc4cccc(C(O)=O)c4O[B-]3(O)O2;[B-]12(C(Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O","InChI=1S/C19H27BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17-23-16-11-13-2-1-3-15(19(24)25)18(13)28-20(16,26)27-17/h1-3,12,14,16,22,26H,4-11,21H2,(H,24,25)/q-1/t12-,14-,16-,20-/m0/s1","","2019-05-08","2020-04-30","(7~{R})-5-[[4-(2-azanylethylamino)cyclohexyl]methyl]-3-oxidanyl-2,4-dioxa-6-aza-3-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraene-13-carboxylic acid","2019-09-11"],["6W0","~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide","C16 H16 N2 O2 S","COCc1cccc(NC(=O)c2cc3sccc3n2C)c1;Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC","InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)","","2016-07-08","2017-02-17","~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide","2017-02-22"],["K9L","(1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine","C19 H20 F N5","Fc1cccc(c1)CC4CC4NCCc2nc(ncc2)n3ccnc3;Fc1cccc(C[CH]2C[CH]2NCCc3ccnc(n3)n4ccnc4)c1;c1cc(cc(c1)F)CC2CC2NCCc3ccnc(n3)n4ccnc4","InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2/t15-,18-/m0/s1","","2014-10-21","2014-12-19","(1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine","2014-12-24"],["K9M","1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one","C24 H27 N5 O","c5c(N2Cc3ncnc(N1CCN(CC1)C(=O)CC)c3CC2)c4ccccc4cc5;CCC(=O)N1CCN(CC1)c2ncnc3CN(CCc23)c4cccc5ccccc45;CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5","InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3","","2018-11-14","2024-09-27","1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one","2018-12-12"],["6W1","4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","C26 H27 N3 O3 S","Cn1c(cc2sccc12)C(=O)Nc3ccccc3COc4ccc(OC[CH]5CCNC5)cc4;Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OCC5CCNC5","InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1","","2016-07-08","2017-02-17","4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","2017-02-22"],["6W2","4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE","C10 H10 N2 O3 S2","O=S(=O)(Nc1nccs1)c2ccc(OC)cc2;COc1ccc(cc1)[S](=O)(=O)Nc2sccn2;COc1ccc(cc1)S(=O)(=O)Nc2nccs2","InChI=1S/C10H10N2O3S2/c1-15-8-2-4-9(5-3-8)17(13,14)12-10-11-6-7-16-10/h2-7H,1H3,(H,11,12)","","2014-07-02","2015-02-27","4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide","2015-03-04"],["K9N","N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide","C10 H14 N2 O S","O=C(NCc1nc(C)cs1)C1CCC1;Cc1csc(CNC(=O)C2CCC2)n1;Cc1csc(n1)CNC(=O)C2CCC2","InChI=1S/C10H14N2OS/c1-7-6-14-9(12-7)5-11-10(13)8-3-2-4-8/h6,8H,2-5H2,1H3,(H,11,13)","","2023-08-10","2024-08-30","N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide","2024-09-04"],["K9O","4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide","C21 H20 Cl N5 O","Clc1cnn(CC(C)C)c1C(=O)Nc1ccc2nc([NH]c2c1)c1ccccc1;CC(C)Cn1ncc(Cl)c1C(=O)Nc2ccc3nc([nH]c3c2)c4ccccc4;CC(C)Cn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)[nH]c(n3)c4ccccc4","InChI=1S/C21H20ClN5O/c1-13(2)12-27-19(16(22)11-23-27)21(28)24-15-8-9-17-18(10-15)26-20(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,24,28)(H,25,26)","","2022-02-03","2022-10-07","4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide","2022-10-12"],["6W3","4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","C27 H29 N3 O3 S","CN1CCC(CC1)Oc2ccc(OCc3ccccc3NC(=O)c4cc5sccc5n4C)cc2;Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C","InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)","","2016-07-08","2017-02-17","4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","2017-02-22"],["K9P","1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one","C19 H23 N O2","CCCCCC(=O)N1C[CH](C)c2c1cc(O)c3ccccc23;CCCCCC(=O)N1CC(c2c1cc(c3c2cccc3)O)C","InChI=1S/C19H23NO2/c1-3-4-5-10-18(22)20-12-13(2)19-15-9-7-6-8-14(15)17(21)11-16(19)20/h6-9,11,13,21H,3-5,10,12H2,1-2H3/t13-/m1/s1","","2015-08-11","2024-09-27","1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one","2015-08-26"],["6W4","(2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide","C32 H34 N6 O2","NCc1ccc(cc1)C(=O)N2C[CH](C[CH]2C(=O)NCC(c3ccccc3)c4ccccc4)n5cc(nn5)C6CC6;c1ccc(cc1)C(CNC(=O)C2CC(CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6","InChI=1S/C32H34N6O2/c33-18-22-11-13-26(14-12-22)32(40)37-20-27(38-21-29(35-36-38)25-15-16-25)17-30(37)31(39)34-19-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,25,27-28,30H,15-20,33H2,(H,34,39)/t27-,30-/m0/s1","","2016-07-08","2018-01-12","(2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide","2018-01-17"],["6W5","[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate","C14 H26 N3 O8 P","CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)C=C;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)C=C)O","InChI=1S/C14H26N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h4,12,20H,1,5-9H2,2-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m1/s1","","2016-07-08","2024-09-27","[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate","2018-01-24"],["K9Q","(2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide","C20 H25 N3 O2","NC[CH](Cc1ccc(cc1)c2ccccc2)NC(=O)[CH]3C[CH](O)CN3;c1ccc(cc1)c2ccc(cc2)CC(CN)NC(=O)C3CC(CN3)O","InChI=1S/C20H25N3O2/c21-12-17(23-20(25)19-11-18(24)13-22-19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,22,24H,10-13,21H2,(H,23,25)/t17-,18+,19-/m0/s1","","2019-05-08","2024-09-27","(2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide","2019-08-28"],["6W6","3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid","C9 H5 Cl2 N O2 S","OC(=O)c1sccc1n2c(Cl)ccc2Cl;c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl","InChI=1S/C9H5Cl2NO2S/c10-6-1-2-7(11)12(6)5-3-4-15-8(5)9(13)14/h1-4H,(H,13,14)","","2016-07-08","2016-09-23","3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid","2016-09-28"],["K9R","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide","C23 H29 N3 O4 S3","SCc1cc(CS)cc(c1)[CH]2C(=O)C[CH](NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)C2=O;c1c(cc(cc1CS)C2C(=O)CC(C2=O)NC(=O)CCCCC3C4C(CS3)NC(=O)N4)CS","InChI=1S/C23H29N3O4S3/c27-17-8-15(22(29)20(17)14-6-12(9-31)5-13(7-14)10-32)24-19(28)4-2-1-3-18-21-16(11-33-18)25-23(30)26-21/h5-7,15-16,18,20-21,31-32H,1-4,8-11H2,(H,24,28)(H2,25,26,30)/t15-,16+,18+,20+,21+/m1/s1","","2022-05-23","2022-08-22","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide","2022-06-15"],["K9S","1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE","C9 H9 N S","s2c1ccccc1c(c2)CN;NCc1csc2ccccc12;c1ccc2c(c1)c(cs2)CN","InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2","","2011-12-08","2014-09-05","1-(1-benzothiophen-3-yl)methanamine",""],["6W7","[(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid","C10 H14 N5 O5 P","O[P](O)(=O)CO[CH]1CNC[CH]1n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3CNCC3OCP(=O)(O)O)N=CNC2=O","InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1","[3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid","2016-07-08","2020-06-17","[(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid","2017-09-20"],["6W8","[(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid","C10 H15 N6 O5 P","NC1=Nc2n(cnc2C(=O)N1)[CH]3CNC[CH]3OC[P](O)(O)=O;c1nc2c(n1C3CNCC3OCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1","[3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid","2016-07-08","2020-06-17","[(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid","2017-09-20"],["K9T","2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate","C21 H23 N4 O7 P S2","CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO[P](O)(O)=O;CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4","InChI=1S/C21H23N4O7PS2/c1-21(2,3)35(29,30)19-9-14-15(10-17(19)31-6-7-32-33(26,27)28)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-34-18/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,25)(H2,26,27,28)","","2019-05-08","2019-07-12","2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate","2019-07-17"],["6W9","2-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid","C13 H23 N5 O7 P2","O[P](O)(=O)CCCCN(CCn1cnc2C(=O)NC=Nc12)CC[P](O)(O)=O;c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O","InChI=1S/C13H23N5O7P2/c19-13-11-12(14-9-15-13)18(10-16-11)5-4-17(6-8-27(23,24)25)3-1-2-7-26(20,21)22/h9-10H,1-8H2,(H,14,15,19)(H2,20,21,22)(H2,23,24,25)","9-[N-(Phosphonoethyl)-N-(phosphonobutyl)-2-aminoethyl]-hypoxanthine","2016-07-08","2021-03-01","2-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid","2017-07-19"],["K9U","(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide","C24 H21 Cl2 F3 N4 O3","FC(F)(F)CCNC(=O)[CH]1CN(CCN1C(=O)C2=CC(=O)Nc3ccccc23)c4ccc(Cl)c(Cl)c4;c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3C(=O)NCCC(F)(F)F)c4ccc(c(c4)Cl)Cl","InChI=1S/C24H21Cl2F3N4O3/c25-17-6-5-14(11-18(17)26)32-9-10-33(20(13-32)22(35)30-8-7-24(27,28)29)23(36)16-12-21(34)31-19-4-2-1-3-15(16)19/h1-6,11-12,20H,7-10,13H2,(H,30,35)(H,31,34)/t20-/m0/s1","","2022-09-14","2023-09-08","(2~{S})-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1~{H}-quinolin-4-yl)carbonyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide","2023-09-13"],["6WA","3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid","C13 H22 N4 O7 P2","O[P](O)(=O)CCCN(CCC[P](O)(O)=O)Cc1c[nH]c2C(=O)NC=Nc12;c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O","InChI=1S/C13H22N4O7P2/c18-13-12-11(15-9-16-13)10(7-14-12)8-17(3-1-5-25(19,20)21)4-2-6-26(22,23)24/h7,9,14H,1-6,8H2,(H,15,16,18)(H2,19,20,21)(H2,22,23,24)","9-[N,N-(Bis-3-phosphonopropyl)aminomethyl]-9-deazahypoxanthine","2016-07-08","2021-03-13","3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid","2017-07-19"],["K9V","N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea","C23 H28 F2 N2 O2","c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F)cc3;Fc1cccc(F)c1CO[CH]2CC[CH](CC2)NC(=O)NCCCc3ccccc3;c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F","InChI=1S/C23H28F2N2O2/c24-21-9-4-10-22(25)20(21)16-29-19-13-11-18(12-14-19)27-23(28)26-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18-19H,5,8,11-16H2,(H2,26,27,28)/t18-,19+","","2018-11-16","2019-11-15","N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea","2019-11-20"],["6WB","2-[[(2~{S})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl]amino]ethylphosphonic acid","C12 H20 N5 O6 P","OC[CH](O)CN(CCn1cnc2C(=O)NC=Nc12)CC[P](O)(O)=O;c1nc2c(n1CCN(CCP(=O)(O)O)CC(CO)O)N=CNC2=O","InChI=1S/C12H20N5O6P/c18-6-9(19)5-16(3-4-24(21,22)23)1-2-17-8-15-10-11(17)13-7-14-12(10)20/h7-9,18-19H,1-6H2,(H,13,14,20)(H2,21,22,23)/t9-/m0/s1","2-((2,3-Dihydroxypropyl)(2-(hypoxanthin-9-yl)ethyl)amino)ethylphosphonic acid","2016-07-08","2021-03-13","2-[[(2~{S})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl]amino]ethylphosphonic acid","2017-07-19"],["K9W","(2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide","C21 H24 N4 O","NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3CCCN3;c1cc(ccc1CC(CN)NC(=O)C2CCCN2)c3ccc(cc3)C#N","InChI=1S/C21H24N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12,14,23H2,(H,25,26)/t19-,20-/m0/s1","","2019-05-08","2024-09-27","(2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide","2019-08-28"],["6WC","[2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid","C11 H18 N4 O9 P2","O[P](O)(=O)COCC(COC[P](O)(O)=O)Cn1cnc2C(=O)NC=Nc12;c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O","InChI=1S/C11H18N4O9P2/c16-11-9-10(12-4-13-11)15(5-14-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H,12,13,16)(H2,17,18,19)(H2,20,21,22)","","2016-07-08","2017-07-14","[2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid","2017-07-19"],["K9X","4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","C18 H15 Br N6 O","Brc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C;Cn1nc(C)c(Br)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)Br","InChI=1S/C18H15BrN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)","","2022-02-03","2022-10-07","4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["6WD","(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine","C15 H14 F2 N4 S","C[C]1(C[CH](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F;CC1(CC(SC(=N1)N)c2cncnc2)c3ccc(cc3F)F","InChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1","","2016-07-08","2016-09-02","(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine","2016-09-07"],["K9Y","1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","C26 H27 N9 O","O=C(Nc3ccc(n1c2ncnc(N)c2nc1)cc3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(cc3)n4cnc5c(N)ncnc45)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N","InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)","","2013-04-29","2013-09-06","1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","2013-09-11"],["K9Z","(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide","C21 H24 N4 O2","NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](O)CN3;c1cc(ccc1CC(CN)NC(=O)C2CC(CN2)O)c3ccc(cc3)C#N","InChI=1S/C21H24N4O2/c22-11-15-3-7-17(8-4-15)16-5-1-14(2-6-16)9-18(12-23)25-21(27)20-10-19(26)13-24-20/h1-8,18-20,24,26H,9-10,12-13,23H2,(H,25,27)/t18-,19-,20-/m0/s1","","2019-05-08","2024-09-27","(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide","2019-08-28"],["6WE","(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine","C16 H17 F2 N3 O S","Cc1onc(C)c1[CH]2C[C](C)(N=C(N)S2)c3ccc(F)cc3F;Cc1c(c(on1)C)C2CC(N=C(S2)N)(C)c3ccc(cc3F)F","InChI=1S/C16H17F2N3OS/c1-8-14(9(2)22-21-8)13-7-16(3,20-15(19)23-13)11-5-4-10(17)6-12(11)18/h4-6,13H,7H2,1-3H3,(H2,19,20)/t13-,16-/m0/s1","","2016-07-08","2016-09-02","(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine","2016-09-07"],["6WF","14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene","C17 H18 Fe N3 O S","C1CCN(CC1)C2=[S-][Fe]3Oc4ccc5ccccc5c4C=[N+]3N2;c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5","InChI=1S/C17H19N3OS.Fe/c21-16-9-8-13-6-2-3-7-14(13)15(16)12-18-19-17(22)20-10-4-1-5-11-20;/h2-3,6-9,12,21H,1,4-5,10-11H2,(H,19,22);/q;+1/p-1/b18-12+;","","2016-07-11","2017-07-14","","2017-07-19"],["KA0","6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one","C18 H21 N5 O3","CN(Cc1ccc2OCOc2c1)C3=Nc4n(ncc4C(=O)N3)C(C)(C)C;CC(C)(C)n1c2c(cn1)C(=O)NC(=N2)N(C)Cc3ccc4c(c3)OCO4","InChI=1S/C18H21N5O3/c1-18(2,3)23-15-12(8-19-23)16(24)21-17(20-15)22(4)9-11-5-6-13-14(7-11)26-10-25-13/h5-8H,9-10H2,1-4H3,(H,20,21,24)","","2022-05-23","2022-12-23","6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one","2022-11-16"],["6WG","(2~{R})-2-phenylpiperidine-1-carbaldehyde","C12 H15 N O","O=CN1CCCC[CH]1c2ccccc2;c1ccc(cc1)C2CCCCN2C=O","InChI=1S/C12H15NO/c14-10-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m1/s1","","2016-07-11","2024-09-27","(2~{R})-2-phenylpiperidine-1-carbaldehyde","2016-07-20"],["KA2","2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol","C21 H22 N4 O4 S2","CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO;CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4","InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)","","2019-05-08","2019-07-12","2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol","2019-07-17"],["6WH","(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide","C31 H38 N6 O3","COc1cc(ccc1CN)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCCC[CH]3c4ccccc4)n5cc(nn5)C6CC6;COc1cc(ccc1CN)C(=O)N2CC(CC2C(=O)NC3CCCCC3c4ccccc4)n5cc(nn5)C6CC6","InChI=1S/C31H38N6O3/c1-40-29-15-22(13-14-23(29)17-32)31(39)36-18-24(37-19-27(34-35-37)21-11-12-21)16-28(36)30(38)33-26-10-6-5-9-25(26)20-7-3-2-4-8-20/h2-4,7-8,13-15,19,21,24-26,28H,5-6,9-12,16-18,32H2,1H3,(H,33,38)/t24-,25+,26-,28-/m0/s1","","2016-07-11","2016-08-05","(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide","2016-08-10"],["KA3","N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide","C11 H20 N2 O2","O=C(NCC1CC1)N1CCC(OC)CC1;COC1CCN(CC1)C(=O)NCC2CC2;COC1CCN(CC1)C(=O)NCC2CC2","InChI=1S/C11H20N2O2/c1-15-10-4-6-13(7-5-10)11(14)12-8-9-2-3-9/h9-10H,2-8H2,1H3,(H,12,14)","","2023-08-10","2024-08-30","N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide","2024-09-04"],["6WI","3-(guanosine-5'-diphospho)-D-glycerate","C13 H19 N5 O14 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)C(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(=O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C13H19N5O14P2/c14-13-16-9-6(10(22)17-13)15-3-18(9)11-8(21)7(20)5(31-11)2-30-34(27,28)32-33(25,26)29-1-4(19)12(23)24/h3-5,7-8,11,19-21H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H3,14,16,17,22)/t4-,5-,7-,8-,11-/m1/s1","3GPPG; (2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propanoic acid","2021-08-04","2022-01-28","(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propanoic acid","2022-02-02"],["KA4","N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide","C19 H12 Cl2 F2 N4 O3 S","Nc1ncc(cn1)C#Cc2c(ccc(c2F)NS(c3c(Cl)c(cc(c3)Cl)CO)(=O)=O)F;Nc1ncc(cn1)C#Cc2c(F)ccc(N[S](=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F;c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F","InChI=1S/C19H12Cl2F2N4O3S/c20-12-5-11(9-28)17(21)16(6-12)31(29,30)27-15-4-3-14(22)13(18(15)23)2-1-10-7-25-19(24)26-8-10/h3-8,27-28H,9H2,(H2,24,25,26)","","2018-11-16","2019-10-04","N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide","2019-10-09"],["KA5","5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine","C17 H18 Cl N5 O2","Clc2c1c(nc(nc1N)N)ccc2NCc3cc(OC)ccc3OC;COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1;COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC","InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)","","2009-09-14","2011-06-04","5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine",""],["6WJ","1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione","C21 H24 N4 O4 S2","Cc1sc(CN2C(=O)N(CC3CC3)c4ccc(cc4C2=O)[S](=O)(=O)NC5(C)CC5)cn1;Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(=O)(=O)NC5(CC5)C","InChI=1S/C21H24N4O4S2/c1-13-22-10-15(30-13)12-25-19(26)17-9-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3","","2016-07-11","2025-07-31","1-(cyclopropylmethyl)-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide","2016-10-12"],["6WK","(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid","C7 H15 N O4 S3","N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O;C(C(C(CSSCC(C(=O)O)N)O)O)S","InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1","","2016-07-11","2024-09-27","(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid","2016-10-12"],["KA6","1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C20 H24 N8 O3","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cc1)N1CCCC1)N1CCOCC1;Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3ccn4nc(nc4c3)N5CCCC5;Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3ccn4c(c3)nc(n4)N5CCCC5","InChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-8-10-31-11-9-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-5-2-3-6-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29)","","2022-02-03","2022-10-07","1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["KA7","N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide","C18 H12 Cl F2 N5 O3 S","c2c(c(C#Cc1cnc(N)nc1)c(F)c(c2)NS(c3cc(cnc3OC)Cl)(=O)=O)F;COc1ncc(Cl)cc1[S](=O)(=O)Nc2ccc(F)c(C#Cc3cnc(N)nc3)c2F;COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F","InChI=1S/C18H12ClF2N5O3S/c1-29-17-15(6-11(19)9-23-17)30(27,28)26-14-5-4-13(20)12(16(14)21)3-2-10-7-24-18(22)25-8-10/h4-9,26H,1H3,(H2,22,24,25)","","2018-11-16","2019-10-04","N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide","2019-10-09"],["6WL","4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol","C15 H11 F3 N2 O2","Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F;Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O","InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3","","2016-07-11","2017-02-10","4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol","2017-02-15"],["6WM","(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol","C25 H30 O2","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](Cc5ccccc5)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Cc5ccccc5)O","InChI=1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21+,22+,23-,24-,25-/m0/s1","","2016-07-11","2017-01-13","(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol","2017-01-18"],["KA8","(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","C21 H23 F N4 O","NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](F)CN3;c1cc(ccc1CC(CN)NC(=O)C2CC(CN2)F)c3ccc(cc3)C#N","InChI=1S/C21H23FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,12-13,24H2,(H,26,27)/t18-,19-,20-/m0/s1","","2019-05-08","2024-09-27","(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2019-08-28"],["6WN","(8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[\na]phenanthren-17-one","C25 H26 O2","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC(=Cc5ccccc5)C2=O;CC12CCC3c4ccc(cc4CCC3C1CC(=Cc5ccccc5)C2=O)O","InChI=1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13+/t21-,22-,23+,25+/m1/s1","16-benzylidene estrone","2016-07-11","2020-06-17","(8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","2017-02-15"],["KA9","1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one","C20 H19 N5 O S","CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12;CN1c2ccc(cc2N(C1=O)C)Nc3cc(ncn3)SCc4ccccc4","InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23)","","2022-05-23","2022-11-11","1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one","2022-11-16"],["6WO","OXO-TUNGSTEN(VI)","O W","[W+4]=O;O=[W+4];O=[W+4]","InChI=1S/O.W/q;+4","","2000-05-03","2011-06-07","oxotungsten(4+)",""],["KAA","5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE","C16 H26 N8 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN;NCCCC[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCCCN)N)O)O)N","InChI=1S/C16H26N8O7S/c17-4-2-1-3-8(18)15(27)23-32(28,29)30-5-9-11(25)12(26)16(31-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,16,25-26H,1-5,17-18H2,(H,23,27)(H2,19,20,21)/t8-,9+,11+,12+,16+/m0/s1","5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE","2007-04-13","2020-06-17","5'-O-(L-lysylsulfamoyl)adenosine",""],["6WP","naphthalen-1-yl (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C28 H22 O6 S","Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc5ccccc45)c6ccc(O)cc6;c1ccc2c(c1)cccc2OS(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C28H22O6S/c29-20-12-8-18(9-13-20)26-24-16-25(28(33-24)27(26)19-10-14-21(30)15-11-19)35(31,32)34-23-7-3-5-17-4-1-2-6-22(17)23/h1-15,24-25,28-30H,16H2/t24-,25+,28+/m0/s1","","2016-07-11","2017-01-13","naphthalen-1-yl (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2017-01-18"],["KAB","KABIRAMIDE C","C48 H75 N5 O14","O=C(C(C)C(OC)C(C=CN(C)CO)C)CCC(C)C(OC)CC4OC(=O)CC(OC(O)N)CC(C)CC(O)C(C)C(OC)c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C;CO[CH]1CC=Cc2occ(n2)c3occ(n3)c4occ(n4)[CH](OC)[CH](C)[CH](O)C[CH](C)C[CH](CC(=O)O[CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](OC)[CH](C)C=CN(C)CO)[CH]1C)O[CH](N)O;CC1CC(CC(=O)OC(C(C(CC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)C(C(C(C1)O)C)OC)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)C=CN(C)CO)OC)OC)OC(N)O","InChI=1S/C48H75N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-25,27-33,38-41,44-45,48,54,56,58H,13,15-16,19-22,26,49H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+,48+/m0/s1","","2003-09-19","2011-06-04","(10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(R)-amino(hydroxy)methoxy]-12-hydroxy-20-{(2S,3S,7R,8R,9R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxoundec-10-en-1-yl}-10,22-dimethoxy-11,14,21-trimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-18-one",""],["KAC","4-(benzoylamino)butanoic acid","C11 H13 N O3","O=C(NCCCC(=O)O)c1ccccc1;OC(=O)CCCNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCCCC(=O)O","InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)","","2014-10-07","2024-09-27","4-(benzoylamino)butanoic acid","2014-12-03"],["6WQ","4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol","C22 H17 Br O2","Oc1ccc(cc1)C(c2ccc(O)cc2)=C3CCc4cc(Br)ccc34;c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O","InChI=1S/C22H17BrO2/c23-17-6-12-20-16(13-17)5-11-21(20)22(14-1-7-18(24)8-2-14)15-3-9-19(25)10-4-15/h1-4,6-10,12-13,24-25H,5,11H2","","2016-07-11","2017-01-13","4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol","2017-01-18"],["6WR","(1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol","C15 H17 Cl O2","O[CH]1CC[CH]2CC(=CC[CH]12)c3ccc(O)cc3Cl;c1cc(c(cc1O)Cl)C2=CCC3C(C2)CCC3O","InChI=1S/C15H17ClO2/c16-14-8-11(17)3-5-12(14)9-1-4-13-10(7-9)2-6-15(13)18/h1,3,5,8,10,13,15,17-18H,2,4,6-7H2/t10-,13+,15+/m1/s1","","2016-07-11","2017-01-13","(1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol","2017-01-18"],["KAE","4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one","C25 H26 Cl2 N4 O3","Clc1ccc(cc1Cl)N2CCN([CH](CN3CCOCC3)C2)C(=O)C4=CC(=O)Nc5ccccc45;c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3CN4CCOCC4)c5ccc(c(c5)Cl)Cl","InChI=1S/C25H26Cl2N4O3/c26-21-6-5-17(13-22(21)27)30-7-8-31(18(16-30)15-29-9-11-34-12-10-29)25(33)20-14-24(32)28-23-4-2-1-3-19(20)23/h1-6,13-14,18H,7-12,15-16H2,(H,28,32)/t18-/m0/s1","","2022-09-14","2023-09-08","4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one","2023-09-13"],["6WS","1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene","C14 H8 Cl4","Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2;c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl","InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H","","2016-07-11","2017-02-10","1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene","2017-02-15"],["KAF","N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine","C28 H30 N2 O6","O=C(O)C(NC(=O)CCC(O)(O)C(NC(=O)c1ccccc1)Cc2ccccc2)Cc3ccccc3;OC(=O)[CH](Cc1ccccc1)NC(=O)CCC(O)(O)[CH](Cc2ccccc2)NC(=O)c3ccccc3;c1ccc(cc1)CC(C(=O)O)NC(=O)CCC(C(Cc2ccccc2)NC(=O)c3ccccc3)(O)O","InChI=1S/C28H30N2O6/c31-25(29-23(27(33)34)18-20-10-4-1-5-11-20)16-17-28(35,36)24(19-21-12-6-2-7-13-21)30-26(32)22-14-8-3-9-15-22/h1-15,23-24,35-36H,16-19H2,(H,29,31)(H,30,32)(H,33,34)/t23-,24-/m0/s1","","2007-12-18","2011-06-04","N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine",""],["6WT","1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene","C14 H9 Cl5","Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl;c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl","InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H","","2016-07-11","2017-02-10","1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene","2017-02-15"],["KAG","2'-DEOXY-N-[(1S)-1-METHYL-3-OXOPROPYL]GUANOSINE 5'-PHOSPHATE","C14 H20 N5 O8 P","O=CCC(NC3=Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3)C;C[CH](CC=O)NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CC(CC=O)NC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1","InChI=1S/C14H20N5O8P/c1-7(2-3-20)16-14-17-12-11(13(22)18-14)15-6-19(12)10-4-8(21)9(27-10)5-26-28(23,24)25/h3,6-10,21H,2,4-5H2,1H3,(H2,23,24,25)(H2,16,17,18,22)/t7-,8-,9+,10+/m0/s1","","2006-07-11","2011-06-04","2'-deoxy-N-[(1S)-1-methyl-3-oxopropyl]guanosine 5'-(dihydrogen phosphate)",""],["6WU","(1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol","C16 H18 F2 O2","C[C]12CC=C(C[CH]1CC[CH]2O)c3cc(F)c(O)cc3F;CC12CC=C(CC1CCC2O)c3cc(c(cc3F)O)F","InChI=1S/C16H18F2O2/c1-16-5-4-9(6-10(16)2-3-15(16)20)11-7-13(18)14(19)8-12(11)17/h4,7-8,10,15,19-20H,2-3,5-6H2,1H3/t10-,15+,16+/m1/s1","","2016-07-11","2017-01-13","(1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol","2017-01-18"],["KAH","5-AMINO-4-HYDROXYHEXANOIC ACID","C6 H13 N O3","O=C(O)CCC(O)C(N)C;C[CH](N)[CH](O)CCC(O)=O;CC(C(CCC(=O)O)O)N","InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1","4-KETO-5-AMINO-HEXANOIC ACID","2001-07-09","2024-09-27","(4R,5R)-5-amino-4-hydroxyhexanoic acid",""],["6WV","(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","C24 H29 N O","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2Nc5ccccc5;CC12CCC3c4ccc(cc4CCC3C1CCC2Nc5ccccc5)O","InChI=1S/C24H29NO/c1-24-14-13-20-19-10-8-18(26)15-16(19)7-9-21(20)22(24)11-12-23(24)25-17-5-3-2-4-6-17/h2-6,8,10,15,20-23,25-26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,24+/m1/s1","","2016-07-11","2017-01-13","(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","2017-01-18"],["KAI","3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE","C10 H15 N O4","O=C(O)C1NCC(C(=C)C)C1CC(=O)O;CC(=C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O;CC(=C)C1CNC(C1CC(=O)O)C(=O)O","InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1","KAINATE","1999-09-22","2020-06-17","(3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-L-proline",""],["6WW","(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","C25 H31 N O","CN([CH]1CC[CH]2[CH]3CCc4cc(O)ccc4[CH]3CC[C]12C)c5ccccc5;CC12CCC3c4ccc(cc4CCC3C1CCC2N(C)c5ccccc5)O","InChI=1S/C25H31NO/c1-25-15-14-21-20-11-9-19(27)16-17(20)8-10-22(21)23(25)12-13-24(25)26(2)18-6-4-3-5-7-18/h3-7,9,11,16,21-24,27H,8,10,12-15H2,1-2H3/t21-,22-,23+,24+,25+/m1/s1","","2016-07-11","2017-01-13","(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","2017-01-18"],["KAK","3'-deoxy-guanosine-5'-monophosphate","C10 H14 N5 O7 P","NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)C[CH]3O)c2N1;c1nc2c(n1C3C(CC(O3)COP(=O)(O)O)O)NC(=NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1","","2019-05-08","2019-06-28","[(2~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2019-07-03"],["6WX","1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione","C23 H23 F N4 O4","CCCN1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F;CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O","InChI=1S/C23H23FN4O4/c1-2-9-26-10-11-27(14-20(26)29)22(31)17-12-15(7-8-18(17)24)13-28-19-6-4-3-5-16(19)21(30)25-23(28)32/h3-8,12H,2,9-11,13-14H2,1H3,(H,25,30,32)","","2016-07-12","2016-12-16","1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione","2016-12-21"],["KAL","Kalimantacin","C30 H48 N2 O7","C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC(N)=O;CC(CC=CC=CCCC(=C)CC(C)CC(=CC(=O)O)C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O","InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+/t21-,22+,24+,25+,27+/m0/s1","batumin","2019-01-21","2021-03-01","(2~{E},5~{R},10~{Z},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid","2020-04-01"],["6WY","1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione","C22 H21 F N4 O4","CCN1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F;CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O","InChI=1S/C22H21FN4O4/c1-2-25-9-10-26(13-19(25)28)21(30)16-11-14(7-8-17(16)23)12-27-18-6-4-3-5-15(18)20(29)24-22(27)31/h3-8,11H,2,9-10,12-13H2,1H3,(H,24,29,31)","","2016-07-12","2016-12-16","1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione","2016-12-21"],["KAM","N-[7-KETO-8-AMINOPELARGONIC ACID]-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]","C17 H27 N2 O8 P","O=C(O)CCCCCC(=O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C;C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(=O)CCCCCC(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)CCCCCC(=O)O)O","InChI=1S/C17H27N2O8P/c1-11(15(20)6-4-3-5-7-16(21)22)19-9-14-13(10-27-28(24,25)26)8-18-12(2)17(14)23/h8,11,19,23H,3-7,9-10H2,1-2H3,(H,21,22)(H2,24,25,26)/t11-/m0/s1","N-PYRIDOXYL-7-KETO-8-AMINOPELARGONIC ACID-5'-MONOPHOSPHATE","1999-12-08","2021-03-01","(8S)-8-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-7-oxononanoic acid",""],["6WZ","1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione","C23 H22 F4 N4 O3","C[CH]1CN(CCN1CC(F)(F)F)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F;CC1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O","InChI=1S/C23H22F4N4O3/c1-14-11-29(8-9-30(14)13-23(25,26)27)21(33)17-10-15(6-7-18(17)24)12-31-19-5-3-2-4-16(19)20(32)28-22(31)34/h2-7,10,14H,8-9,11-13H2,1H3,(H,28,32,34)/t14-/m1/s1","","2016-07-12","2016-11-25","1-[[4-fluoranyl-3-[(3~{R})-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione","2016-11-30"],["KAN","KANAMYCIN A","C18 H36 N4 O11","O(C2C(O)C(OC1OC(CN)C(O)C(O)C1O)C(N)CC2N)C3OC(C(O)C(N)C3O)CO;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N","InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1","","1999-07-08","2011-06-04","(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside",""],["KAO","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea","C26 H27 N5 O","O=C(Nc2ccc(c1cccnc1)cc2)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(cc3)c4cccnc4)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4","InChI=1S/C26H27N5O/c1-18-7-13-22(14-8-18)31-24(16-23(30-31)26(2,3)4)29-25(32)28-21-11-9-19(10-12-21)20-6-5-15-27-17-20/h5-17H,1-4H3,(H2,28,29,32)","","2013-04-29","2013-09-06","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea","2013-09-11"],["6X0","4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","C29 H33 N3 O4 S","CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4;CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OCC5CCNC5)COC","InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1","","2016-07-12","2017-02-17","4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","2017-02-22"],["6X1","2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid","C14 H10 Cl2 N2 O3","OC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2;c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl","InChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)","","2009-12-03","2011-06-04","2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid",""],["KAP","7-KETO-8-AMINOPELARGONIC ACID","C9 H17 N O3","O=C(CCCCCC(=O)O)C(N)C;C[CH](N)C(=O)CCCCCC(O)=O;CC(C(=O)CCCCCC(=O)O)N","InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1","","1999-07-08","2011-06-04","(8S)-8-amino-7-oxononanoic acid",""],["6X2","1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione","C24 H27 F N4 O3","CCCN1CCN(C[CH]1C)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F;CCCN1CCN(CC1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O","InChI=1S/C24H27FN4O3/c1-3-10-27-11-12-28(14-16(27)2)23(31)19-13-17(8-9-20(19)25)15-29-21-7-5-4-6-18(21)22(30)26-24(29)32/h4-9,13,16H,3,10-12,14-15H2,1-2H3,(H,26,30,32)/t16-/m1/s1","","2016-07-12","2016-12-09","1-[[4-fluoranyl-3-[(3~{R})-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione","2016-12-14"],["KAQ","(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide","C22 H26 N4 O S","CS[CH]1CN[CH](C1)C(=O)N[CH](CN)Cc2ccc(cc2)c3ccc(cc3)C#N;CSC1CC(NC1)C(=O)NC(Cc2ccc(cc2)c3ccc(cc3)C#N)CN","InChI=1S/C22H26N4OS/c1-28-20-11-21(25-14-20)22(27)26-19(13-24)10-15-2-6-17(7-3-15)18-8-4-16(12-23)5-9-18/h2-9,19-21,25H,10-11,13-14,24H2,1H3,(H,26,27)/t19-,20-,21-/m0/s1","","2019-05-08","2024-09-27","(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide","2019-08-28"],["6X3","4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","C27 H29 N3 O3 S","CN1CCC(CC1)Oc2ccc(OCc3ccc(NC(=O)c4cc5sccc5n4C)cc3)cc2;Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C","InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,11-12,14-15,18H2,1-2H3,(H,28,31)","","2016-07-12","2017-02-17","4-methyl-~{N}-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide","2017-02-22"],["KAR","3\"-(BETA-CHLOROETHYL)-2\",4\"-DIOXO-3, 5\"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE","C46 H56 Cl N5 O7","O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c%10cc6c(N(C7C5(OC(=O)N(C5=O)CCCl)CC9(C=CCN8CCC67C89)CC)C)cc%10OC;CC[C]1(O)C[CH]2CN(CCc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C]8(C[C]9(CC)C=CCN%10CC[C]67[CH]9%10)OC(=O)N(CCCl)C8=O)C1;CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(CC71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O","InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1","","2004-09-01","2011-06-04","methyl (5S,7R,9S)-9-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate",""],["6X4","[6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium","C20 H37 N6 O8","C[CH](O)C(=O)N[CH](C)C(=O)N[CH](CCC(=O)N[CH](CCCC[NH3+])C(=O)N[CH](C)C(N)=O)C(O)=O;CC(C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CCC(C(=O)O)NC(=O)C(C)NC(=O)C(C)O","InChI=1S/C20H36N6O8/c1-10(16(22)29)23-19(32)13(6-4-5-9-21)25-15(28)8-7-14(20(33)34)26-17(30)11(2)24-18(31)12(3)27/h10-14,27H,4-9,21H2,1-3H3,(H2,22,29)(H,23,32)(H,24,31)(H,25,28)(H,26,30)(H,33,34)/p+1/t10-,11+,12-,13-,14-/m1/s1","","2015-11-20","2017-03-16","[6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium","2016-10-12"],["KAS","3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid","C10 H11 B N3 O7 P","OC(c1cccc(c1)c2cn(CB(OP(=O)(O)O)O)nn2)=O;OB(Cn1cc(nn1)c2cccc(c2)C(O)=O)O[P](O)(O)=O;B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O","InChI=1S/C10H11BN3O7P/c15-10(16)8-3-1-2-7(4-8)9-5-14(13-12-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H,15,16)(H2,18,19,20)","","2019-08-16","2024-09-27","3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid","2020-06-24"],["6X5","~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide","C29 H33 N3 O4 S","CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[CH]5CCNC5)cc4;CCOCc1cccc(c1COc2ccc(cc2)OCC3CCNC3)NC(=O)c4cc5c(n4C)ccs5","InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1","","2016-07-12","2017-02-17","~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide","2017-02-22"],["KAT","(4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone","C13 H15 N5 O","C1N(CCN(C1)C(n2ccnn2)=O)c3ccccc3;O=C(N1CCN(CC1)c2ccccc2)n3ccnn3;c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3","InChI=1S/C13H15N5O/c19-13(18-7-6-14-15-18)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2","","2018-04-20","2024-09-27","(4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone","2018-11-21"],["6X6","2,3-dimethoxybenzoic acid","C9 H10 O4","COc1cccc(C(O)=O)c1OC;COc1cccc(c1OC)C(=O)O","InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)","","2016-07-12","2016-08-24","2,3-dimethoxybenzoic acid","2016-08-31"],["KAU","N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide","C19 H19 Cl N6 O","O=C(NC1CCN(C1)c1ccc(Cl)cn1)c1nn(C)cc1c1ccncc1;Cn1cc(c2ccncc2)c(n1)C(=O)N[CH]3CCN(C3)c4ccc(Cl)cn4;Cn1cc(c(n1)C(=O)NC2CCN(C2)c3ccc(cn3)Cl)c4ccncc4","InChI=1S/C19H19ClN6O/c1-25-12-16(13-4-7-21-8-5-13)18(24-25)19(27)23-15-6-9-26(11-15)17-3-2-14(20)10-22-17/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,27)/t15-/m1/s1","","2022-02-03","2022-10-07","N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide","2022-10-12"],["6X7","2,4-dihydroxy-6-methyl Benzoic acid","C8 H8 O4","Cc1cc(O)cc(O)c1C(O)=O;Cc1cc(cc(c1C(=O)O)O)O","InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)","","2016-07-12","2016-08-24","2-methyl-4,6-bis(oxidanyl)benzoic acid","2016-08-31"],["KAV","N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide","C23 H19 F3 N6 O2","c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(NC(C2CC2)=O)ncn3)cc4)n5;Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4cc(NC(=O)C5CC5)ncn4)ccc13;Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5","InChI=1S/C23H19F3N6O2/c1-32-18-9-8-16(34-20-11-19(27-12-28-20)31-21(33)13-2-3-13)10-17(18)30-22(32)29-15-6-4-14(5-7-15)23(24,25)26/h4-13H,2-3H2,1H3,(H,29,30)(H,27,28,31,33)","","2018-11-16","2019-10-04","N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide","2019-10-09"],["6X8","2-iodanylphenol","C6 H5 I O","Oc1ccccc1I;c1ccc(c(c1)O)I","InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H","","2016-07-12","2017-02-10","2-iodanylphenol","2017-02-15"],["KAW","N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan","C30 H31 N3 O6","O=C(c1ccccc1)NC(Cc2ccccc2)C(O)(O)CCC(=O)NC(C(=O)O)Cc4c3ccccc3nc4;OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)(O)[CH](Cc3ccccc3)NC(=O)c4ccccc4;c1ccc(cc1)CC(C(CCC(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4","InChI=1S/C30H31N3O6/c34-27(32-25(29(36)37)18-22-19-31-24-14-8-7-13-23(22)24)15-16-30(38,39)26(17-20-9-3-1-4-10-20)33-28(35)21-11-5-2-6-12-21/h1-14,19,25-26,31,38-39H,15-18H2,(H,32,34)(H,33,35)(H,36,37)/t25-,26-/m0/s1","","2007-12-12","2011-06-04","N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan",""],["6X9","6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C11 H12 N4 O","CCC1=C(C)Nc2n(nc(C)c2C#N)C1=O;CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C","InChI=1S/C11H12N4O/c1-4-8-6(2)13-10-9(5-12)7(3)14-15(10)11(8)16/h13H,4H2,1-3H3","","2016-07-12","2016-08-12","6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2016-08-17"],["KAX","9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine","C21 H25 F N10 O9 P2","Nc1ncnc2n(cnc12)[CH]3C[CH]4O[P](O)(=O)OC[CH]5C[CH]([CH](F)[CH]5O[P](O)(=O)OC[CH]4O3)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3CC4COP(=O)(OC5CC(OC5COP(=O)(OC4C3F)O)n6cnc7c6ncnc7N)O)N","InChI=1S/C21H25FN10O9P2/c22-14-10(31-7-29-15-18(23)25-5-27-20(15)31)1-9-3-37-42(33,34)40-11-2-13(32-8-30-16-19(24)26-6-28-21(16)32)39-12(11)4-38-43(35,36)41-17(9)14/h5-14,17H,1-4H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t9-,10-,11+,12-,13-,14+,17-/m1/s1","","2022-05-23","2023-11-24","9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine","2023-11-29"],["6XA","6-amino-N-hydroxyhexanamide","C6 H14 N2 O2","C(N)CCCCC(NO)=O;NCCCCCC(=O)NO;C(CCC(=O)NO)CCN","InChI=1S/C6H14N2O2/c7-5-3-1-2-4-6(9)8-10/h10H,1-5,7H2,(H,8,9)","","2015-05-19","2015-07-24","6-amino-N-hydroxyhexanamide","2015-07-29"],["KAY","4-methylbenzene-1,2-dicarboxylic acid","C9 H8 O4","C(c1cc(C)ccc1C(O)=O)(O)=O;Cc1ccc(C(O)=O)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)C(=O)O","InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)","","2018-11-16","2019-11-08","4-methylbenzene-1,2-dicarboxylic acid","2019-11-13"],["6XB","1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone","C14 H16 N4 O","CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1;CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1","InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)","","2016-07-12","2016-10-28","1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone","2016-11-02"],["KAZ","2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid","C27 H29 N3 O3","CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(O)=O;CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O","InChI=1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)","","2019-05-08","2019-08-09","2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid","2019-08-14"],["6XC","3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one","C14 H18 N4 O","CC1=Cc2ccnc(NC3CCNCC3)c2NC1=O;CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3","InChI=1S/C14H18N4O/c1-9-8-10-2-7-16-13(12(10)18-14(9)19)17-11-3-5-15-6-4-11/h2,7-8,11,15H,3-6H2,1H3,(H,16,17)(H,18,19)","","2015-06-20","2015-07-17","3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one","2015-07-22"],["KB0","2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol","C22 H18 O2","c3(c2CC(c1ccc(cc1)O)=C(c2cc(c3)O)c4ccccc4)C;Cc1cc(O)cc2c1CC(=C2c3ccccc3)c4ccc(O)cc4;Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O","InChI=1S/C22H18O2/c1-14-11-18(24)12-21-19(14)13-20(15-7-9-17(23)10-8-15)22(21)16-5-3-2-4-6-16/h2-12,23-24H,13H2,1H3","KB095285","2015-04-27","2020-06-17","2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol","2016-06-29"],["KB1","5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine","C21 H26 F N7 O5","Nc1ncnc2n(cnc12)C3OC(C(C3O)O)CN(Cc4ccc(cc4)F)CCC(N)C(O)=O;N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccc(F)cc4)C(O)=O;c1cc(ccc1CN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)F","InChI=1S/C21H26FN7O5/c22-12-3-1-11(2-4-12)7-28(6-5-13(23)21(32)33)8-14-16(30)17(31)20(34-14)29-10-27-15-18(24)25-9-26-19(15)29/h1-4,9-10,13-14,16-17,20,30-31H,5-8,23H2,(H,32,33)(H2,24,25,26)/t13-,14+,16+,17+,20+/m0/s1","","2017-02-09","2017-05-12","5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine","2017-05-17"],["6XD","1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea","C17 H26 N4 O","O=C(NCCCn1ccnc1)NC23CC4CC(CC(C4)C2)C3;c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3","InChI=1S/C17H26N4O/c22-16(19-2-1-4-21-5-3-18-12-21)20-17-9-13-6-14(10-17)8-15(7-13)11-17/h3,5,12-15H,1-2,4,6-11H2,(H2,19,20,22)/t13-,14+,15-,17-","","2016-07-14","2016-12-16","1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea","2016-12-21"],["KB2","(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one","C24 H33 N5 O","O=C(C(n1nnc(c1)C(NCc3cc2cccnc2cc3)(C)C(C)C)CCCC)C;CCCC[CH](n1cc(nn1)[C](C)(NCc2ccc3ncccc3c2)C(C)C)C(C)=O;CCCCC(C(=O)C)n1cc(nn1)C(C)(C(C)C)NCc2ccc3c(c2)cccn3","InChI=1S/C24H33N5O/c1-6-7-10-22(18(4)30)29-16-23(27-28-29)24(5,17(2)3)26-15-19-11-12-21-20(14-19)9-8-13-25-21/h8-9,11-14,16-17,22,26H,6-7,10,15H2,1-5H3/t22-,24-/m0/s1","","2009-09-09","2024-09-27","(3S)-3-(4-{(2S)-3-methyl-2-[(quinolin-6-ylmethyl)amino]butan-2-yl}-1H-1,2,3-triazol-1-yl)heptan-2-one",""],["6XE","6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline","C20 H13 F N6","Fc5ccc(c1nn2c(nnc2nc1)Cc4cc3cccnc3cc4)cc5;Fc1ccc(cc1)c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2;c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F","InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-12-23-20-25-24-19(27(20)26-18)11-13-3-8-17-15(10-13)2-1-9-22-17/h1-10,12H,11H2","","2012-11-13","2014-09-05","6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl}quinoline","2013-11-27"],["6XF","~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide","C21 H22 N4 O5","COc1ccc(cc1)c2noc(CN(C(C)C)C(=O)Cc3ccc(cc3)[N](=O)=O)n2;CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O","InChI=1S/C21H22N4O5/c1-14(2)24(20(26)12-15-4-8-17(9-5-15)25(27)28)13-19-22-21(23-30-19)16-6-10-18(29-3)11-7-16/h4-11,14H,12-13H2,1-3H3","","2016-07-14","2016-12-16","~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide","2016-12-21"],["KB3","(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine","C9 H9 N3 O2","Nc1nnc(o1)c1ccccc1OC;COc1ccccc1c2oc(N)nn2;COc1ccccc1c2nnc(o2)N","InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)","","2023-08-10","2024-08-30","(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine","2024-09-04"],["6XG","3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide","C22 H29 N5 O2","CC(C)NC(=O)c1cccc(Nc2nn(CC3CC3)c4CCN(Cc24)C(C)=O)c1;CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C","InChI=1S/C22H29N5O2/c1-14(2)23-22(29)17-5-4-6-18(11-17)24-21-19-13-26(15(3)28)10-9-20(19)27(25-21)12-16-7-8-16/h4-6,11,14,16H,7-10,12-13H2,1-3H3,(H,23,29)(H,24,25)","","2016-07-14","2016-10-28","3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide","2016-11-02"],["KB4","4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","C16 H12 Cl N5 O2","n4c1cccnc1c(N2c3c(NC(=O)C2)cc(OC)cc3)nc4Cl;COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4cccnc34;COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl","InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-14-10(3-2-6-18-14)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23)","","2018-11-19","2019-11-08","4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one","2019-11-13"],["KB5","6-azanyl-9~{H}-purine-8-thiol","C5 H5 N5 S","Nc1ncnc2[nH]c(S)nc12;c1nc(c2c(n1)[nH]c(n2)S)N","InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)","","2019-05-09","2020-04-10","6-azanyl-9~{H}-purine-8-thiol","2020-04-15"],["6XH","1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone","C22 H25 F N6 O2","Cn1cc(cn1)c2ccc(Nc3nn([CH]4CCOC4)c5CCN(Cc35)C(C)=O)c(F)c2;CC(=O)N1CCc2c(c(nn2C3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1","InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1","","2016-07-14","2016-10-28","1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone","2016-11-02"],["6XI","3-pyrrol-1-ylthiophene-2-carboxylic acid","C9 H7 N O2 S","OC(=O)c1sccc1n2cccc2;c1ccn(c1)c2ccsc2C(=O)O","InChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12)","","2016-07-08","2016-09-23","3-pyrrol-1-ylthiophene-2-carboxylic acid","2016-09-28"],["KB6","3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline","C21 H17 F N2 O2","Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)o1;Cc1oc(nc1CCOc2cc3ccccc3cn2)c4ccc(F)cc4;Cc1c(nc(o1)c2ccc(cc2)F)CCOc3cc4ccccc4cn3","InChI=1S/C21H17FN2O2/c1-14-19(24-21(26-14)15-6-8-18(22)9-7-15)10-11-25-20-12-16-4-2-3-5-17(16)13-23-20/h2-9,12-13H,10-11H2,1H3","","2022-02-03","2022-10-07","3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline","2022-10-12"],["6XJ","(3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide","C33 H36 Br Cl2 N5 O4","CNC(=O)C[CH](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN2C(=O)[CH](CCc3ccccc23)NC(=O)C[CH](N)Cc4ccc(Br)cc4;CNC(=O)CC(Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CCC(C2=O)NC(=O)CC(Cc4ccc(cc4)Br)N","InChI=1S/C33H36BrCl2N5O4/c1-38-30(42)18-25(15-21-8-12-26(35)27(36)16-21)39-32(44)19-41-29-5-3-2-4-22(29)9-13-28(33(41)45)40-31(43)17-24(37)14-20-6-10-23(34)11-7-20/h2-8,10-12,16,24-25,28H,9,13-15,17-19,37H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t24-,25+,28-/m0/s1","","2016-07-14","2017-01-06","(3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide","2017-01-11"],["KB7","5'-O-(ethylcarbamoyl)guanosine","C13 H18 N6 O6","N1C(c3c(N=C1N)n(C2C(C(C(COC(=O)NCC)O2)O)O)cn3)=O;CCNC(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N;CCNC(=O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O","InChI=1S/C13H18N6O6/c1-2-15-13(23)24-3-5-7(20)8(21)11(25-5)19-4-16-6-9(19)17-12(14)18-10(6)22/h4-5,7-8,11,20-21H,2-3H2,1H3,(H,15,23)(H3,14,17,18,22)/t5-,7-,8-,11-/m1/s1","","2018-11-19","2019-09-13","5'-O-(ethylcarbamoyl)guanosine","2019-09-18"],["6XK","~{N}-[2-[(1~{S},2~{S})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide","C22 H24 N8 O","CC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1[CH]5C[CH]5CN;CC(=O)Nc1cc(ccc1C2CC2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C22H24N8O/c1-12(31)26-19-7-16(4-5-17(19)18-6-13(18)9-23)27-20-8-21(28-15-2-3-15)30-22(29-20)14(10-24)11-25-30/h4-5,7-8,11,13,15,18,28H,2-3,6,9,23H2,1H3,(H,26,31)(H,27,29)/t13-,18+/m1/s1","","2016-07-14","2017-11-03","~{N}-[2-[(1~{S},2~{S})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide","2017-11-08"],["KB8","6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline","C15 H16 F3 N3","FC(F)(F)c1nc3c(c(c1)N2CCNCC2)cc(cc3)C;Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F;Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3","InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3","","2014-10-31","2015-02-13","6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline","2015-02-18"],["6XL","6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one","C28 H26 F N7 O3","CN1C=C(C=C(Nc2ccncn2)C1=O)c3ccnc(N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)c3CO;CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO","InChI=1S/C28H26FN7O3/c1-28(2,3)18-9-16-12-33-36(27(39)24(16)21(29)11-18)25-20(14-37)19(5-8-31-25)17-10-22(26(38)35(4)13-17)34-23-6-7-30-15-32-23/h5-13,15,37H,14H2,1-4H3,(H,30,32,34)","","2016-07-14","2016-09-09","6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one","2016-09-14"],["KB9","1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one","C24 H29 N3 O","CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4;CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4","InChI=1S/C24H29N3O/c1-2-3-24(28)23-17-21-16-20(19-8-13-26-14-9-19)4-5-22(21)27(23)15-10-18-6-11-25-12-7-18/h4-5,8-9,13-14,16-18,25H,2-3,6-7,10-12,15H2,1H3","","2022-05-23","2023-03-31","1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one","2023-04-05"],["6XM","8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate","C31 H34 N4 O3","C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[CH](c34)c56;c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8","InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2","","2016-07-15","2018-02-27","","2016-09-14"],["KBA","2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside","C10 H17 N3 O5","C[CH]1O[CH](OCCn2ccnn2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCCn2ccnn2)O)O)O","InChI=1S/C10H17N3O5/c1-6-7(14)8(15)9(16)10(18-6)17-5-4-13-3-2-11-12-13/h2-3,6-10,14-16H,4-5H2,1H3/t6-,7+,8+,9-,10+/m0/s1","(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol;\n2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactoside; 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-L-galactoside;\n2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-galactoside","2018-06-28","2020-07-17","(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol","2018-08-22"],["6XN","~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide","C25 H22 Cl F3 N4 O2","C[CH](NC(=O)CCc1nc2cccnc2n1Cc3ccc(OC(F)(F)F)cc3)c4ccc(Cl)cc4;CC(c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1","","2016-07-15","2016-11-04","~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide","2016-11-09"],["KBB","2,5-bis(fluoranyl)benzenesulfonamide","C6 H5 F2 N O2 S","N[S](=O)(=O)c1cc(F)ccc1F;c1cc(c(cc1F)S(=O)(=O)N)F","InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)","","2019-05-09","2020-04-10","2,5-bis(fluoranyl)benzenesulfonamide","2020-04-15"],["KBC","[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H15 N2 O9 P","CO[C]1(CO[P](O)(O)=O)O[CH](C[CH]1O)N2C=CC(=O)NC2=O;COC1(C(CC(O1)N2C=CC(=O)NC2=O)O)COP(=O)(O)O","InChI=1S/C10H15N2O9P/c1-19-10(5-20-22(16,17)18)6(13)4-8(21-10)12-3-2-7(14)11-9(12)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,8+,10+/m0/s1","","2022-09-14","2025-04-11","[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-04-16"],["6XO","(2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid","C24 H38 N3 O7 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(O)=O;CC(C)CC(C(=O)NC(CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O","InChI=1S/C24H38N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1","","2016-07-15","2016-12-16","(2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid","2016-12-21"],["KBD","5'-O-(benzylcarbamoyl)guanosine","C18 H20 N6 O6","N1C(c2c(N=C1N)n(cn2)C4C(C(C(COC(NCc3ccccc3)=O)O4)O)O)=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](COC(=O)NCc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)CNC(=O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C18H20N6O6/c19-17-22-14-11(15(27)23-17)21-8-24(14)16-13(26)12(25)10(30-16)7-29-18(28)20-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,25-26H,6-7H2,(H,20,28)(H3,19,22,23,27)/t10-,12-,13-,16-/m1/s1","","2018-11-19","2019-09-13","5'-O-(benzylcarbamoyl)guanosine","2019-09-18"],["6XP","(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide","C18 H18 Cl N3 O3","Clc1ccc(c2c1C(C(=O)N2)NNC(=O)C(c3ccc(O)cc3)C)C;C[CH](C(=O)NN[CH]1C(=O)Nc2c(C)ccc(Cl)c12)c3ccc(O)cc3;Cc1ccc(c2c1NC(=O)C2NNC(=O)C(C)c3ccc(cc3)O)Cl","InChI=1S/C18H18ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,16,21,23H,1-2H3,(H,20,25)(H,22,24)/t10-,16?/m0/s1","","2011-08-31","2024-09-06","(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide",""],["KBE","beta-lysine","C6 H14 N2 O2","NCCC[CH](N)CC(O)=O;C(CC(CC(=O)O)N)CN","InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1","(3S)-3,6-diaminohexanoic acid","2010-02-05","2024-09-27","(3S)-3,6-bis(azanyl)hexanoic acid",""],["6XQ","(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid","C38 H45 N3 O5","COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N3CCC(CC3)c4oc5cc(ccc5c4)[CH](CC(O)=O)C6CC6;Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)C(CC(=O)O)C6CC6)OC","InChI=1S/C38H45N3O5/c1-24-7-6-8-35(39-24)41(23-38(2,3)4)37(44)30-14-13-29(45-5)21-32(30)40-17-15-26(16-18-40)33-20-28-12-11-27(19-34(28)46-33)31(22-36(42)43)25-9-10-25/h6-8,11-14,19-21,25-26,31H,9-10,15-18,22-23H2,1-5H3,(H,42,43)/t31-/m0/s1","","2016-07-18","2018-04-27","(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid","2018-05-02"],["6XR","(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C13 H10 N2 O3 S2","OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O;c1ccc(c(c1)c2nc(cs2)C3=NC(CS3)C(=O)O)O","InChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1","","2016-07-19","2016-09-16","(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2016-09-21"],["KBF","3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide","C16 H17 N O3","Oc1cc2ccccc2cc1C(=O)NC[CH]3CCCO3;c1ccc2cc(c(cc2c1)C(=O)NCC3CCCO3)O","InChI=1S/C16H17NO3/c18-15-9-12-5-2-1-4-11(12)8-14(15)16(19)17-10-13-6-3-7-20-13/h1-2,4-5,8-9,13,18H,3,6-7,10H2,(H,17,19)/t13-/m1/s1","3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide","2018-02-22","2021-03-01","3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide","2018-09-12"],["KBG","beta-D-arabino-hexopyranos-2-ulose","C6 H10 O6","O=C1C(O)OC(CO)C(O)C1O;OC[CH]1O[CH](O)C(=O)[CH](O)[CH]1O;C(C1C(C(C(=O)C(O1)O)O)O)O","InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1","2-KETO-BETA-D-GLUCOSE; beta-D-arabino-hexos-2-ulose; D-arabino-hexos-2-ulose; arabino-hexos-2-ulose","2006-01-09","2020-07-17","beta-D-arabino-hexopyranos-2-ulose",""],["6XS","5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide","C24 H28 Cl2 F N5 O5 S2","O=C(NCC(C(=O)N1CCN(C)CC1)NS(=O)(=O)c3cc(F)cc(N2C(=O)CCCC2)c3Cl)c4sc(Cl)cc4;CN1CCN(CC1)C(=O)[CH](CNC(=O)c2sc(Cl)cc2)N[S](=O)(=O)c3cc(F)cc(N4CCCCC4=O)c3Cl;CN1CCN(CC1)C(=O)C(CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F","InChI=1S/C24H28Cl2FN5O5S2/c1-30-8-10-31(11-9-30)24(35)16(14-28-23(34)18-5-6-20(25)38-18)29-39(36,37)19-13-15(27)12-17(22(19)26)32-7-3-2-4-21(32)33/h5-6,12-13,16,29H,2-4,7-11,14H2,1H3,(H,28,34)/t16-/m0/s1","","2013-06-19","2014-09-05","5-chloro-N-[(2S)-2-({[2-chloro-5-fluoro-3-(2-oxopiperidin-1-yl)phenyl]sulfonyl}amino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide","2013-12-18"],["6XT","~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide","C18 H20 N6 O","CC(=O)Nc1cc(Nc2cc(NC3CC3)n4nccc4n2)ccc1C;Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4","InChI=1S/C18H20N6O/c1-11-3-4-14(9-15(11)20-12(2)25)21-16-10-18(22-13-5-6-13)24-17(23-16)7-8-19-24/h3-4,7-10,13,22H,5-6H2,1-2H3,(H,20,25)(H,21,23)","","2016-07-19","2017-10-20","~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide","2017-10-25"],["KBH","4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid","C13 H8 F2 O4 S","OC(=O)c1ccc(c2ccc(F)cc2)c(c1)[S](F)(=O)=O;c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F","InChI=1S/C13H8F2O4S/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)20(15,18)19/h1-7H,(H,16,17)","","2019-05-09","2024-09-27","4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid","2019-10-02"],["6XU","(2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid","C22 H21 F3 N4 O4 S","COC(=O)C1=C(CN2CC(F)(F)C[CH]2C(O)=O)NC(=N[C]1(C)c3ccc(F)cc3)c4sccn4;CC1(C(=C(NC(=N1)c2nccs2)CN3CC(CC3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F","InChI=1S/C22H21F3N4O4S/c1-21(12-3-5-13(23)6-4-12)16(20(32)33-2)14(27-17(28-21)18-26-7-8-34-18)10-29-11-22(24,25)9-15(29)19(30)31/h3-8,15H,9-11H2,1-2H3,(H,27,28)(H,30,31)/t15-,21-/m0/s1","","2016-07-20","2016-08-05","(2~{S})-4,4-bis(fluoranyl)-1-[[(4~{S})-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1~{H}-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid","2016-08-10"],["KBI","trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol","C21 H23 F3 N6 O2","Fc1cc(F)cc(F)c1Nc3nc2cnc(nc2n3C4CCOC4)NC5CCC(O)CC5;O[CH]1CC[CH](CC1)Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([CH]5CCOC5)c3n2;c1c(cc(c(c1F)Nc2nc3cnc(nc3n2C4CCOC4)NC5CCC(CC5)O)F)F","InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1","","2011-10-05","2012-01-27","trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol",""],["KBJ","5'-O-[(2-phenylethyl)carbamoyl]guanosine","C19 H22 N6 O6","C(NCCc1ccccc1)(OCC4OC(n2c3c(nc2)C(NC(=N3)N)=O)C(C4O)O)=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](COC(=O)NCCc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)CCNC(=O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C19H22N6O6/c20-18-23-15-12(16(28)24-18)22-9-25(15)17-14(27)13(26)11(31-17)8-30-19(29)21-7-6-10-4-2-1-3-5-10/h1-5,9,11,13-14,17,26-27H,6-8H2,(H,21,29)(H3,20,23,24,28)/t11-,13-,14-,17-/m1/s1","","2018-11-19","2019-09-13","5'-O-[(2-phenylethyl)carbamoyl]guanosine","2019-09-18"],["6XV","4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride","C19 H21 N7 O","O=C(Nc1ccc(cc1)N=C2NCCN2)c3ccc(cc3)N=C4NCCN4;c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4","InChI=1S/C19H21N7O/c27-17(13-1-3-15(4-2-13)25-18-20-9-10-21-18)24-14-5-7-16(8-6-14)26-19-22-11-12-23-19/h1-8H,9-12H2,(H,24,27)(H2,20,21,25)(H2,22,23,26)","","2016-07-15","2017-06-09","4-(imidazolidin-2-ylideneamino)-~{N}-[4-(imidazolidin-2-ylideneamino)phenyl]benzamide","2017-06-14"],["KBK","[(R)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid","C11 H16 N O7 P","O=P(O)(O)C(OCC(=O)N(O)C)c1ccc(OC)cc1;COc1ccc(cc1)[CH](OCC(=O)N(C)O)[P](O)(O)=O;CN(C(=O)COC(c1ccc(cc1)OC)P(=O)(O)O)O","InChI=1S/C11H16NO7P/c1-12(14)10(13)7-19-11(20(15,16)17)8-3-5-9(18-2)6-4-8/h3-6,11,14H,7H2,1-2H3,(H2,15,16,17)/t11-/m1/s1","","2012-10-04","2014-11-21","[(R)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid","2014-11-26"],["6XW","5-(5-aminopyridin-3-yl)-8-(((3R,4R)-3-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1H)-one","C25 H32 N6 O4 S","CC1=Cc2c(NC1=O)c(N[CH]3CCNC[CH]3OCC4CC[S](=O)(=O)CC4)ncc2c5cncc(N)c5;CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N","InChI=1S/C25H32N6O4S/c1-15-8-19-20(17-9-18(26)11-28-10-17)12-29-24(23(19)31-25(15)32)30-21-2-5-27-13-22(21)35-14-16-3-6-36(33,34)7-4-16/h8-12,16,21-22,27H,2-7,13-14,26H2,1H3,(H,29,30)(H,31,32)/t21-,22-/m1/s1","","2016-07-18","2016-08-24","5-(5-azanylpyridin-3-yl)-8-[[(3~{R},4~{R})-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1~{H}-1,7-naphthyridin-2-one","2016-08-31"],["KBL","6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C21 H15 F3 N4 O2","FC(F)(F)Oc1cc(ccc1)N1N=C(C(=O)C=C1C)c1ccnn1c1ccccc1;CC1=CC(=O)C(=NN1c2cccc(OC(F)(F)F)c2)c3ccnn3c4ccccc4;CC1=CC(=O)C(=NN1c2cccc(c2)OC(F)(F)F)c3ccnn3c4ccccc4","InChI=1S/C21H15F3N4O2/c1-14-12-19(29)20(18-10-11-25-28(18)15-6-3-2-4-7-15)26-27(14)16-8-5-9-17(13-16)30-21(22,23)24/h2-13H,1H3","","2022-02-03","2022-10-07","6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2022-10-12"],["6XX","8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one","C28 H35 F2 N5 O3","CO[CH]1CNC[CH](OCC2CCC(F)(F)CC2)[CH]1Nc3ncc(c4cncc(C)c4)c5C=C(C)C(=O)Nc35;Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)NC4C(CNCC4OCC5CCC(CC5)(F)F)OC","InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1","","2016-07-18","2016-08-24","8-[[(3~{R},4~{R},5~{S})-3-[[4,4-bis(fluoranyl)cyclohexyl]methoxy]-5-methoxy-piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-1,7-naphthyridin-2-one","2016-08-31"],["KBM","(4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone","C16 H11 Cl O3","COc1ccc2oc(cc2c1)C(=O)c3ccc(Cl)cc3;COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl","InChI=1S/C16H11ClO3/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9H,1H3","","2010-02-01","2011-06-04","(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone",""],["6XY","bromopromazine","C17 H19 Br N2 S","CN(C)CCCN1c2ccccc2Sc3ccc(Br)cc13;CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br","InChI=1S/C17H19BrN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","","2016-07-18","2016-10-21","3-(2-bromanylphenothiazin-10-yl)-~{N},~{N}-dimethyl-propan-1-amine","2016-10-26"],["6XZ","4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one","C21 H22 N2 O5","COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c(O)c(O)ccc34;COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O","InChI=1S/C21H22N2O5/c1-27-16-4-2-15(3-5-16)23-10-8-22(9-11-23)13-14-12-19(25)28-21-17(14)6-7-18(24)20(21)26/h2-7,12,24,26H,8-11,13H2,1H3","","2016-07-22","2017-07-21","4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one","2017-07-26"],["KBN","2-(trifluoromethyl)-9~{H}-purine-6-thiol","C6 H3 F3 N4 S","FC(F)(F)c1nc(S)c2nc[nH]c2n1;c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S","InChI=1S/C6H3F3N4S/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)","","2019-05-10","2020-04-10","2-(trifluoromethyl)-9~{H}-purine-6-thiol","2020-04-15"],["KBO","2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide","C28 H34 N4 O2","CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4cccnc34)c1;CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3nccc4","InChI=1S/C28H34N4O2/c1-3-28(4-2,21-33)27(34)30-25-12-5-8-22(18-25)19-31-14-16-32(17-15-31)20-24-10-6-9-23-11-7-13-29-26(23)24/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,30,34)","","2022-05-23","2024-09-27","2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide","2022-09-28"],["6Y0","4-butyl-7,8-bis(oxidanyl)chromen-2-one","C13 H14 O4","CCCCC1=CC(=O)Oc2c(O)c(O)ccc12;CCCCC1=CC(=O)Oc2c1ccc(c2O)O","InChI=1S/C13H14O4/c1-2-3-4-8-7-11(15)17-13-9(8)5-6-10(14)12(13)16/h5-7,14,16H,2-4H2,1H3","","2016-07-22","2017-07-21","4-butyl-7,8-bis(oxidanyl)chromen-2-one","2017-07-26"],["KBP","S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate","C14 H27 N O3 S","O=C(SCCNC(=O)C)CC(O)CCCCCCC;CCCCCCC[CH](O)CC(=O)SCCNC(C)=O;CCCCCCCC(CC(=O)SCCNC(=O)C)O","InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)11-14(18)19-10-9-15-12(2)16/h13,17H,3-11H2,1-2H3,(H,15,16)/t13-/m1/s1","3-hydroxydecanoyl-N-acetylcysteamine","2012-07-03","2020-06-17","S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate","2012-11-23"],["6Y1","~{N}-(1-adamantyl)-2-selanyl-benzamide","C17 H21 N O Se","[SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3;c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH]","InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17-","Adamantyl Ebselen (open form)","2016-07-21","2024-09-27","~{N}-(1-adamantyl)-2-selanyl-benzamide","2017-03-29"],["KBQ","2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","C6 H5 N3 O S","O=C1NC(=S)Nc2[nH]ccc12;c1c[nH]c2c1C(=O)NC(=S)N2","InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)","","2019-05-10","2020-04-10","2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","2020-04-15"],["6Y2","~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide","C22 H31 N3 O13","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO)Oc3ccc(cc3)[N+]([O-])=O;CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O","InChI=1S/C22H31N3O13/c1-9(28)23-15-18(31)17(30)13(7-26)36-22(15)38-20-14(8-27)37-21(16(19(20)32)24-10(2)29)35-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26-27,30-32H,7-8H2,1-2H3,(H,23,28)(H,24,29)/t13-,14-,15-,16-,17+,18-,19-,20-,21-,22+/m1/s1","","2016-07-21","2016-09-09","~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide","2016-09-14"],["KBR","Icaridin","C12 H23 N O3","CC[CH](C)OC(=O)N1CCCC[CH]1CCO;CCC(C)OC(=O)N1CCCCC1CCO","InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1","Picaridin; Bayrepel; KBR 3023","2015-11-04","2020-06-17","[(2~{R})-butan-2-yl] (2~{S})-2-(2-hydroxyethyl)piperidine-1-carboxylate","2016-08-31"],["6Y3","~{N}-(4-aminophenyl)-2-selanyl-benzamide","C13 H12 N2 O Se","Nc1ccc(NC(=O)c2ccccc2[SeH])cc1;c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]","InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)","amino-ebselen (open form)","2016-07-21","2024-09-27","~{N}-(4-aminophenyl)-2-selanyl-benzamide","2017-03-29"],["KBS","2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid","C18 H21 N O5 S2","c1c(ccc(c1C(=O)O)Sc2ccc(OC)cc2)S(N(C)C(C)C)(=O)=O;COc1ccc(Sc2ccc(cc2C(O)=O)[S](=O)(=O)N(C)C(C)C)cc1;CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC","InChI=1S/C18H21NO5S2/c1-12(2)19(3)26(22,23)15-9-10-17(16(11-15)18(20)21)25-14-7-5-13(24-4)6-8-14/h5-12H,1-4H3,(H,20,21)","","2018-11-19","2019-06-21","2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid","2019-06-26"],["6Y4","[2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol","C21 H22 F3 N5 O3 S","CC(C)[CH]1N(Cc2cn(nc12)c3cccc(c3)[S](C)(=O)=O)c4ncc(CO)c(n4)C(F)(F)F;CC(C)C1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO","InChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1","","2016-07-21","2016-09-16","[2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol","2016-09-21"],["6Y5","5-fluoranyl-2-oxidanylidene-pentanoic acid","C5 H7 F O3","OC(=O)C(=O)CCCF;C(CC(=O)C(=O)O)CF","InChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9)","","2016-07-21","2024-09-27","5-fluoranyl-2-oxidanylidene-pentanoic acid","2018-02-21"],["KBT","3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile","C20 H23 N3 O3","CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C;CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C","InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26)","","2010-01-15","2011-06-04","3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile",""],["KBU","4-chloro-1H-benzimidazole","C7 H5 Cl N2","Clc1cccc2[NH]cnc21;Clc1cccc2[nH]cnc12;c1cc2c(c(c1)Cl)nc[nH]2","InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)","","2023-08-10","2024-05-24","4-chloro-1H-benzimidazole","2024-05-29"],["6Y6","2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto\n-non-2-enonic acid","C17 H26 N4 O8","OC(=O)C2=CC(n1cc(nn1)COC)C(NC(=O)C(C)C)C(O2)C(O)C(O)CO;COCc1cn(nn1)[CH]2C=C(O[CH]([CH](O)[CH](O)CO)[CH]2NC(=O)C(C)C)C(O)=O;CC(C)C(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)n2cc(nn2)COC","InChI=1S/C17H26N4O8/c1-8(2)16(25)18-13-10(21-5-9(7-28-3)19-20-21)4-12(17(26)27)29-15(13)14(24)11(23)6-22/h4-5,8,10-11,13-15,22-24H,6-7H2,1-3H3,(H,18,25)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1","(2~{R},3~{R},4~{S})-4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]-3-(2-methylpropanoylamino)-2-[(1~{R},2~{R})-1,2,3-tris(oxi\ndanyl)propyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid","2016-07-21","2020-07-17","2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto\n-non-2-enonic acid","2017-07-12"],["KBV","(3R)-3-amino-4-(4-tert-butylphenyl)butanoic acid","C14 H21 N O2","NC(Cc1ccc(C(C)(C)C)cc1)CC(=O)O;CC(C)(C)c1ccc(C[CH](N)CC(O)=O)cc1;CC(C)(C)c1ccc(cc1)CC(CC(=O)O)N","InChI=1S/C14H21NO2/c1-14(2,3)11-6-4-10(5-7-11)8-12(15)9-13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m1/s1","","2018-11-19","2019-06-21","(3R)-3-amino-4-(4-tert-butylphenyl)butanoic acid","2019-06-26"],["6Y7","3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid","C23 H18 Cl F2 N3 O2 S","CCn1cc(cn1)n2c(C3CC3)c(Sc4cccc(C(O)=O)c4F)c5ccc(Cl)c(F)c25;CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O","InChI=1S/C23H18ClF2N3O2S/c1-2-28-11-13(10-27-28)29-20(12-6-7-12)22(15-8-9-16(24)19(26)21(15)29)32-17-5-3-4-14(18(17)25)23(30)31/h3-5,8-12H,2,6-7H2,1H3,(H,30,31)","","2016-07-22","2016-11-04","3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid","2016-11-09"],["6Y8","(6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole","C20 H22 F N5 O3 S","COc1ncc(F)c(n1)N2Cc3cn(nc3[CH]2C(C)C)c4cccc(c4)[S](C)(=O)=O;CC(C)C1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F","InChI=1S/C20H22FN5O3S/c1-12(2)18-17-13(10-25(18)19-16(21)9-22-20(23-19)29-3)11-26(24-17)14-6-5-7-15(8-14)30(4,27)28/h5-9,11-12,18H,10H2,1-4H3/t18-/m1/s1","","2016-07-22","2016-09-16","(6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole","2016-09-21"],["KBW","Re4(mu3-OH)4(CO)12","C12 O16 Re4","[Re]O[Re]1O[Re]O[Re]O1.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O;[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O","InChI=1S/12CHO.4O.4Re/c12*1-2;;;;;;;;/h12*1H;;;;;;;;","","2019-05-10","2019-06-14","","2019-06-19"],["KBY","N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine","C34 H43 N3 O7 S2","c1c(ccc(c1C(=O)NC(Cc2ccc(C(C)(C)C)cc2)CC(=O)NCC(=O)O)Sc3ccc(OC)cc3)S(N(C)C(C)C)(=O)=O;COc1ccc(Sc2ccc(cc2C(=O)N[CH](CC(=O)NCC(O)=O)Cc3ccc(cc3)C(C)(C)C)[S](=O)(=O)N(C)C(C)C)cc1;CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)NC(Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC","InChI=1S/C34H43N3O7S2/c1-22(2)37(6)46(42,43)28-16-17-30(45-27-14-12-26(44-7)13-15-27)29(20-28)33(41)36-25(19-31(38)35-21-32(39)40)18-23-8-10-24(11-9-23)34(3,4)5/h8-17,20,22,25H,18-19,21H2,1-7H3,(H,35,38)(H,36,41)(H,39,40)/t25-/m1/s1","","2018-11-19","2019-06-21","N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine","2019-06-26"],["6Y9","(2~{R})-1,2-dimethylpyrrolidine-2-carboxylic acid","C7 H13 N O2","CN1CCC[C]1(C)C(O)=O;CC1(CCCN1C)C(=O)O","InChI=1S/C7H13NO2/c1-7(6(9)10)4-3-5-8(7)2/h3-5H2,1-2H3,(H,9,10)/t7-/m1/s1","","2016-07-22","2016-12-22","(2~{R})-1,2-dimethylpyrrolidine-2-carboxylic acid","2016-12-28"],["KBZ","4-cyanobenzenesulfonamide","C7 H6 N2 O2 S","N[S](=O)(=O)c1ccc(cc1)C#N;c1cc(ccc1C#N)S(=O)(=O)N","InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)","","2019-05-10","2020-04-10","4-cyanobenzenesulfonamide","2020-04-15"],["6YA","3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one","C21 H20 Cl F3 N4 O3 S","C[S](=O)(=O)CCCn1c(CN2C(=O)N(CC(F)(F)F)c3ccncc23)cc4cc(Cl)ccc14;CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl","InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3","","2016-07-22","2017-07-28","3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one","2017-08-02"],["6YB","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid","C17 H28 N10 O5","N[CH](CCN(CCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CCNC(=N)N)O)O)N","InChI=1S/C17H28N10O5/c18-8(16(30)31)1-3-26(4-2-22-17(20)21)5-9-11(28)12(29)15(32-9)27-7-25-10-13(19)23-6-24-14(10)27/h6-9,11-12,15,28-29H,1-5,18H2,(H,30,31)(H2,19,23,24)(H4,20,21,22)/t8-,9+,11+,12+,15+/m0/s1","","2016-07-22","2017-08-11","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid","2017-08-16"],["KC0","2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile","C10 H7 Br N2","Brc1ccc2[nH]cc(CC#N)c2c1;c1cc2c(cc1Br)c(c[nH]2)CC#N","InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2","","2022-05-23","2022-10-07","2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile","2022-10-12"],["6YC","~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide","C23 H28 N2 O2","COCCN(C[CH]1CCCN(CC#C)C1)C(=O)c2ccc3ccccc3c2;COCCN(CC1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2","InChI=1S/C23H28N2O2/c1-3-12-24-13-6-7-19(17-24)18-25(14-15-27-2)23(26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3/t19-/m0/s1","","2016-07-24","2016-12-09","~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide","2016-12-14"],["KC1","Chlorophyll c1","C35 H30 Mg N4 O5","N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)CC)C)C=C)C;CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c47)C(=C6C)C=CC(O)=O)C(=C(C=C)C5=C2)C;CCC1=C(c2cc3c(c(c4n3[Mg]n5c(cc1n2)c(c6c5c(c7nc(c4)C(=C7C=CC(=O)O)C)C(C6=O)C(=O)OC)C)C)C=C)C","InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,10-14,31H,1,9H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b11-10+,22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1","","2018-10-17","2019-02-01","(2E)-3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium","2019-02-06"],["KC2","Chlorophyll c2","C35 H28 Mg N4 O5","N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)C=C)C)C=C)C;COC(=O)[CH]1C(=O)c2c(C)c3C=C4N=C(C=C5[N]6[Mg]n3c2C1=C7N=C(C=C6C(=C5C=C)C)C(=C7C=CC(O)=O)C)C(=C4C=C)C;Cc1c2cc3nc(c4c5c(c(c6n5[Mg]n2c(c1C=C)cc7nc(c6)C(=C7C)C=C)C)C(=O)C4C(=O)OC)C(=C3C)C=CC(=O)O","InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-14,31H,1-2H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b11-10+,22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1","","2018-10-17","2019-02-01","(2E)-3-[(21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium","2019-02-06"],["6YD","~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide","C15 H15 N7 O2","Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(C)nc3C(N)=O;Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C","InChI=1S/C15H15N7O2/c1-21-7-9(6-17-21)10-4-3-5-11(18-10)15(24)19-12-8-22(2)20-13(12)14(16)23/h3-8H,1-2H3,(H2,16,23)(H,19,24)","","2016-07-26","2016-08-12","~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide","2016-08-17"],["KC3","3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine","C12 H17 N5","CC1CCN(CC1)c2ccc3nnc(C)n3n2;Cc1nnc2n1nc(cc2)N3CCC(CC3)C","InChI=1S/C12H17N5/c1-9-5-7-16(8-6-9)12-4-3-11-14-13-10(2)17(11)15-12/h3-4,9H,5-8H2,1-2H3","","2022-09-14","2023-01-13","3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine","2023-01-18"],["6YE","~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide","C16 H19 N9 O2","Cn1cc(NC(=O)c2cnn3ccc(nc23)N4CCNCC4)c(n1)C(N)=O;Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4","InChI=1S/C16H19N9O2/c1-23-9-11(13(22-23)14(17)26)20-16(27)10-8-19-25-5-2-12(21-15(10)25)24-6-3-18-4-7-24/h2,5,8-9,18H,3-4,6-7H2,1H3,(H2,17,26)(H,20,27)","","2016-07-26","2016-08-12","~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-08-17"],["6YF","N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide","C16 H12 Cl F3 N2 O5 S","COc1cc(N[S](=O)(=O)C(F)(F)F)cc(OC)c1Oc2ccc(C#N)c(Cl)c2;COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F","InChI=1S/C16H12ClF3N2O5S/c1-25-13-5-10(22-28(23,24)16(18,19)20)6-14(26-2)15(13)27-11-4-3-9(8-21)12(17)7-11/h3-7,22H,1-2H3","","2015-06-18","2016-07-29","N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide","2016-08-03"],["KC4","N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide","C22 H24 F3 N3 O4","C2(CCC(NC(=O)Nc1ccc(cc1)OC(F)(F)F)CC2)Oc3ccc(C(NC)=O)cc3;CNC(=O)c1ccc(O[CH]2CC[CH](CC2)NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc1;CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F","InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-","","2018-11-19","2019-11-15","N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide","2019-11-20"],["KC5","(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one","C20 H15 Cl2 N O4","COc1ccc(NC=C2C(=O)CCc3c2oc4cc(Cl)c(O)c(Cl)c34)cc1;COc1ccc(cc1)NC=C2c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O","InChI=1S/C20H15Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-5,8-9,23,25H,6-7H2,1H3/b13-9+","","2019-05-11","2019-05-17","(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one","2019-05-22"],["6YG","(6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol","C19 H21 N5 O2 S","COc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1;COc1ncc(CN2CCC[CH](C2)c3nc(O)cc(n3)c4sccc4)cn1;COc1ncc(cn1)CN2CCCC(C2)c3nc(cc(n3)O)c4cccs4","InChI=1S/C19H21N5O2S/c1-26-19-20-9-13(10-21-19)11-24-6-2-4-14(12-24)18-22-15(8-17(25)23-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,22,23,25)/t14-/m0/s1","","2016-07-26","2023-02-13","(6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol","2016-08-23"],["KC6","4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid","C14 H14 N4 O3","O=C(O)c2ccnc(c1nccc(C(=O)NCCN)c1)c2;NCCNC(=O)c1ccnc(c1)c2cc(ccn2)C(O)=O;c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O","InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)","","2010-11-09","2011-06-04","4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid",""],["6YH","4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide","C15 H13 N3 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23;c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)","","2016-07-26","2017-08-11","4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide","2017-08-16"],["6YI","(4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide","C24 H26 N4 O5 S","COc1ccc(cc1)C2(CCCC2)C(=O)N3C[S](=O)(=O)C[CH]3C(=O)Nc4cccc5[nH]ncc45;COc1ccc(cc1)C2(CCCC2)C(=O)N3CS(=O)(=O)CC3C(=O)Nc4cccc5c4cn[nH]5","InChI=1S/C24H26N4O5S/c1-33-17-9-7-16(8-10-17)24(11-2-3-12-24)23(30)28-15-34(31,32)14-21(28)22(29)26-19-5-4-6-20-18(19)13-25-27-20/h4-10,13,21H,2-3,11-12,14-15H2,1H3,(H,25,27)(H,26,29)/t21-/m1/s1","","2021-09-27","2022-04-22","(4~{S})-~{N}-(1~{H}-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide","2022-04-27"],["KC7","(1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol","C21 H23 N3 O4","OC[CH]1C[CH](Nc2ncnc3cccc(OCc4ccccc4)c23)[CH](O)[CH]1O;c1ccc(cc1)COc2cccc3c2c(ncn3)NC4CC(C(C4O)O)CO","InChI=1S/C21H23N3O4/c25-10-14-9-16(20(27)19(14)26)24-21-18-15(22-12-23-21)7-4-8-17(18)28-11-13-5-2-1-3-6-13/h1-8,12,14,16,19-20,25-27H,9-11H2,(H,22,23,24)/t14-,16-,19-,20+/m1/s1","","2015-09-22","2016-09-30","(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(5-phenylmethoxyquinazolin-4-yl)amino]cyclopentane-1,2-diol","2016-10-05"],["KC8","2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one","C18 H16 N4 O2","C[C]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3;CC1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3","InChI=1S/C18H16N4O2/c1-18(10-19-17(24)22-18)12-8-6-11(7-9-12)15-20-14-5-3-2-4-13(14)16(23)21-15/h2-9H,10H2,1H3,(H2,19,22,24)(H,20,21,23)/t18-/m1/s1","","2019-05-11","2019-05-17","2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one","2019-05-22"],["6YJ","(2~{S},4~{R})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid","C12 H18 N2 O2","C[CH](C[CH](N)Cc1ccc(N)cc1)C(O)=O;CC(CC(Cc1ccc(cc1)N)N)C(=O)O","InChI=1S/C12H18N2O2/c1-8(12(15)16)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,13-14H2,1H3,(H,15,16)/t8-,11+/m0/s1","","2016-07-25","2016-12-22","(2~{S},4~{R})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid","2016-12-28"],["KC9","4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide","C22 H19 N5 O3","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cccc(c1)c1nc2ccccc2o1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)c4oc5ccccc5n4;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4","InChI=1S/C22H19N5O3/c1-26-19(16(13-23-26)22(29)27-10-5-11-27)20(28)24-15-7-4-6-14(12-15)21-25-17-8-2-3-9-18(17)30-21/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,28)","","2022-02-03","2022-10-07","4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide","2022-10-12"],["6YK","(2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid","C38 H58 N6 O7 S","CC[CH](C)[CH](NC(=O)[C]1(C)CCCN1C)C(=O)N(C)[CH](C[CH](OC(C)=O)c2scc(n2)C(=O)N[CH](C[CH](C)C(O)=O)Cc3ccc(N)cc3)C(C)C;CCC(C)C(C(=O)N(C)C(CC(c1nc(cs1)C(=O)NC(Cc2ccc(cc2)N)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3(CCCN3C)C","InChI=1S/C38H58N6O7S/c1-10-23(4)32(42-37(50)38(7)16-11-17-43(38)8)35(47)44(9)30(22(2)3)20-31(51-25(6)45)34-41-29(21-52-34)33(46)40-28(18-24(5)36(48)49)19-26-12-14-27(39)15-13-26/h12-15,21-24,28,30-32H,10-11,16-20,39H2,1-9H3,(H,40,46)(H,42,50)(H,48,49)/t23-,24-,28+,30+,31+,32-,38+/m0/s1","","2016-07-25","2016-12-22","(2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid","2016-12-28"],["KCA","methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate","C22 H24 F N3 O3","N(C(C(OC)=O)C(C)(C)C)C(c2nn(Cc1ccc(cc1)F)c3c2cccc3)=O;COC(=O)[CH](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)C(C)(C)C;CC(C)(C)C(C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F","InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1","","2018-11-19","2019-01-25","methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate","2019-01-30"],["6YL","2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide","C21 H24 F N5 O2","C[CH](Oc1cc(cnc1N)c2cn(C)nc2C)c3cc(F)ccc3C(=O)N(C)C;Cc1c(cn(n1)C)c2cc(c(nc2)N)OC(C)c3cc(ccc3C(=O)N(C)C)F","InChI=1S/C21H24FN5O2/c1-12-18(11-27(5)25-12)14-8-19(20(23)24-10-14)29-13(2)17-9-15(22)6-7-16(17)21(28)26(3)4/h6-11,13H,1-5H3,(H2,23,24)/t13-/m1/s1","","2016-07-26","2016-08-12","2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide","2016-08-17"],["KCB","(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine","C20 H21 Cl N4 O3","COc1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c(OC)c1OC;COc1ccc(c(c1OC)OC)C2CC(Nc3n2ncn3)c4ccc(cc4)Cl","InChI=1S/C20H21ClN4O3/c1-26-17-9-8-14(18(27-2)19(17)28-3)16-10-15(12-4-6-13(21)7-5-12)24-20-22-11-23-25(16)20/h4-9,11,15-16H,10H2,1-3H3,(H,22,23,24)/t15-,16+/m0/s1","","2022-05-23","2022-11-11","(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine","2022-11-16"],["6YN","~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine","C22 H21 F2 N7","N[CH]1CCCN(C1)c2ccncc2Nc3ncc4ccc(nn34)c5c(F)cccc5F;c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCCC(C5)N)F","InChI=1S/C22H21F2N7/c23-16-4-1-5-17(24)21(16)18-7-6-15-11-27-22(31(15)29-18)28-19-12-26-9-8-20(19)30-10-2-3-14(25)13-30/h1,4-9,11-12,14H,2-3,10,13,25H2,(H,27,28)/t14-/m0/s1","","2016-07-26","2016-11-04","~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine","2016-11-09"],["6YP","4-butylbenzenesulfonamide","C10 H15 N O2 S","CCCCc1ccc(cc1)[S](N)(=O)=O;CCCCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)","","2016-07-27","2017-08-11","4-butylbenzenesulfonamide","2017-08-16"],["KCC","N-methylquinoxalin-2-amine","C9 H9 N3","CNc1cnc2ccccc2n1;CNc1cnc2ccccc2n1;CNc1cnc2ccccc2n1","InChI=1S/C9H9N3/c1-10-9-6-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,10,12)","","2023-08-10","2024-05-24","N-methylquinoxalin-2-amine","2024-05-29"],["KCD","7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide","C20 H24 F2 N2 O3","CC(C)(C1CCC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O;CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(OC(F)F)ccc3c2;CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O","InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-","","2018-11-20","2019-03-22","7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide","2019-03-27"],["6YQ","4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide","C15 H12 Cl N3 O3 S","N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23;c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N","InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)","","2016-07-27","2017-08-11","4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide","2017-08-16"],["KCE","[(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane","C23 H30 N6 O2","C[CH](Cc1ccc(cc1)C(C)(C)C)[CH](NN)c2nnnn2Cc3ccc4OCOc4c3;CC(Cc1ccc(cc1)C(C)(C)C)C(c2nnnn2Cc3ccc4c(c3)OCO4)NN","InChI=1S/C23H30N6O2/c1-15(11-16-5-8-18(9-6-16)23(2,3)4)21(25-24)22-26-27-28-29(22)13-17-7-10-19-20(12-17)31-14-30-19/h5-10,12,15,21,25H,11,13-14,24H2,1-4H3/t15-,21+/m1/s1","","2019-05-13","2020-07-03","[(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane","2020-07-08"],["6YR","methyl 1-seleno-2-O-methyl-beta-L-fucopyranoside","C8 H16 O4 Se","CO[CH]1[CH](O)[CH](O)[CH](C)O[CH]1[Se]C;CC1C(C(C(C(O1)[Se]C)OC)O)O","InChI=1S/C8H16O4Se/c1-4-5(9)6(10)7(11-2)8(12-4)13-3/h4-10H,1-3H3/t4-,5+,6+,7-,8+/m0/s1","2-O-methyl-methyl-seleno-L-fucopyranoside; methyl 1-seleno-2-O-methyl-beta-L-fucoside; methyl\n1-seleno-2-O-methyl-L-fucoside; methyl 1-seleno-2-O-methyl-fucoside","2016-01-04","2020-07-17","(2S,3S,4R,5S,6R)-5-methoxy-2-methyl-6-methylselanyl-oxane-3,4-diol","2017-03-29"],["6YS","(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid","C15 H15 F2 N O5 S","N[C]1([CH](CSc2ccc(F)c(F)c2)[CH](O)[CH]3[CH]([CH]13)C(O)=O)C(O)=O;c1cc(c(cc1SCC2C(C3C(C3C2(C(=O)O)N)C(=O)O)O)F)F","InChI=1S/C15H15F2NO5S/c16-7-2-1-5(3-8(7)17)24-4-6-12(19)9-10(13(20)21)11(9)15(6,18)14(22)23/h1-3,6,9-12,19H,4,18H2,(H,20,21)(H,22,23)/t6-,9+,10+,11+,12-,15+/m1/s1","","2016-07-27","2016-12-22","(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid","2016-12-28"],["KCF","4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine","C8 H9 Br N4","CN(C)c1nc2cc(Br)ccn2n1;CN(C)c1nn2ccc(Br)cc2n1;CN(C)c1nc2cc(ccn2n1)Br","InChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3","","2022-02-03","2022-10-07","(4S)-7-bromo-N,N-dimethyl[1,2,4]triazolo[1,5-a]pyridin-2-amine","2022-10-12"],["KCH","2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid","C12 H10 N2 O3","Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O;c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O","InChI=1S/C12H10N2O3/c13-8-1-2-11(15)9(6-8)10-5-7(12(16)17)3-4-14-10/h1-6,15H,13H2,(H,16,17)","","2015-07-09","2016-01-08","2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid","2016-01-13"],["6YT","N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine","C15 H15 N3 O4 S","O=C(c1ncccc1O)NC(C(=O)O)CSCc2ncccc2;OC(=O)[CH](CSCc1ccccn1)NC(=O)c2ncccc2O;c1ccnc(c1)CSCC(C(=O)O)NC(=O)c2c(cccn2)O","InChI=1S/C15H15N3O4S/c19-12-5-3-7-17-13(12)14(20)18-11(15(21)22)9-23-8-10-4-1-2-6-16-10/h1-7,11,19H,8-9H2,(H,18,20)(H,21,22)/t11-/m0/s1","","2013-10-01","2014-09-05","N-[(3-hydroxypyridin-2-yl)carbonyl]-S-(pyridin-2-ylmethyl)-L-cysteine","2014-05-14"],["KCI","5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine","C23 H24 N6","C[CH](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5;CC(c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5","InChI=1S/C23H24N6/c1-17(18-7-8-22(25-14-18)28-9-4-5-10-28)27-20-12-19(13-24-15-20)21-16-26-23-6-2-3-11-29(21)23/h2-3,6-8,11-17,27H,4-5,9-10H2,1H3/t17-/m1/s1","","2022-05-24","2023-02-17","5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine","2023-02-22"],["6YU","FAD-MDL72527 adduct","C39 H53 N11 O15 P2","CC(=CC=NCCCCNC[CH]=[C]=[CH2])N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=CC=NCCCCNCC=C=C)C","InChI=1S/C39H53N11O15P2/c1-5-6-10-41-11-7-8-12-42-13-9-23(4)50-25-15-22(3)21(2)14-24(25)48(36-30(50)37(56)47-39(57)46-36)16-26(51)31(53)27(52)17-62-66(58,59)65-67(60,61)63-18-28-32(54)33(55)38(64-28)49-20-45-29-34(40)43-19-44-35(29)49/h6,9,13-15,19-20,26-28,31-33,38,41,51-55H,1,7-8,10-12,16-18H2,2-4H3,(H,58,59)(H,60,61)(H2,40,43,44)(H2,46,47,56,57)/b23-9+,42-13+/t26-,27+,28+,31-,32+,33+,38+/m0/s1","","2016-07-27","2017-08-11","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(~{E})-4-[4-(buta-2,3-dienylamino)butylimino]but-2-en-2-yl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2017-08-16"],["KCJ","3-(1,3-thiazol-4-yl)-L-alanine","C6 H8 N2 O2 S","c1scnc1CC(C(O)=O)N;N[CH](Cc1cscn1)C(O)=O;c1c(ncs1)CC(C(=O)O)N","InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1","","2018-11-20","2024-09-27","3-(1,3-thiazol-4-yl)-L-alanine","2019-10-02"],["6YV","(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid","C9 H9 B O4","OB(O)c1ccccc1C=CC(O)=O;B(c1ccccc1C=CC(=O)O)(O)O","InChI=1S/C9H9BO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6,13-14H,(H,11,12)/b6-5+","","2016-07-27","2018-02-16","(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid","2018-02-21"],["KCL","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","C16 H16 N6","Cc1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12;Cc1nnc2n1nc(cc2)NCCc3c[nH]c4c3cccc4","InChI=1S/C16H16N6/c1-11-19-20-16-7-6-15(21-22(11)16)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,21)","","2022-09-14","2023-01-13","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","2023-01-18"],["6YW","[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate","H8 O19 P6","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H8O19P6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H2,1,2,3)(H2,4,5,6)","","2016-07-27","2017-10-06","[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate","2017-10-11"],["KCM","N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine","C13 H19 N5 O S","C(CCCNC(N)=N)(N)C(c1sc2c(n1)cccc2)O;N[CH](CCCNC(N)=N)[CH](O)c1sc2ccccc2n1;c1ccc2c(c1)nc(s2)C(C(CCCNC(=N)N)N)O","InChI=1S/C13H19N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8,11,19H,3-4,7,14H2,(H4,15,16,17)/t8-,11-/m0/s1","","2018-11-20","2024-09-27","N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine","2019-10-02"],["6YX","[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate","H26 O73 P24","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H26O73P24/c1-74(2,3)51-76(7,8)53-78(11,12)55-80(15,16)57-82(19,20)59-84(23,24)61-86(27,28)63-88(31,32)65-90(35,36)67-92(39,40)69-94(43,44)71-96(47,48)73-97(49,50)72-95(45,46)70-93(41,42)68-91(37,38)66-89(33,34)64-87(29,30)62-85(25,26)60-83(21,22)58-81(17,18)56-79(13,14)54-77(9,10)52-75(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,1,2,3)(H2,4,5,6)","","2016-07-27","2017-10-06","[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate","2017-10-11"],["6YY","bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate","H13 O34 P11","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H13O34P11/c1-35(2,3)25-37(7,8)27-39(11,12)29-41(15,16)31-43(19,20)33-45(23,24)34-44(21,22)32-42(17,18)30-40(13,14)28-38(9,10)26-36(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H2,1,2,3)(H2,4,5,6)","","2016-07-27","2017-10-06","bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate","2017-10-11"],["KCO"," Co-substituted beta-Keggin","Co O38 Si W11","O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O[W]%12%13(=O)(O7)O[W]%14%15(=O)(O4)O[W]%16%17(=O)(O5)O[W]%18%19(=O)(O1)O[W]%20(=O)(O2)(O9)O[W]%21%22(=O)(O%18)O[W]%23(=O)(O%10)(O%12)O[W](=O)(O%14)(O%16)(O%21)[O]%22%23[Si]([O]8%11%13)([O]3%19%20)[O]6%15%17;O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6","InChI=1S/Co.O4Si.34O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2019-06-03","2019-09-13","","2019-09-18"],["6YZ","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid","C11 H20 N5 O18 P5","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C11H20N5O18P5/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(31-11)1-30-38(26,27)32-35(19,20)4-36(21,22)33-39(28,29)34-37(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H,28,29)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1","","2016-07-27","2018-09-26","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid","2017-10-11"],["KCP","2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C14 H16 N2 O5 S2","O=C(O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C;CC1=C(N[CH](SC1)[CH](NC(=O)Cc2sccc2)C(O)=O)C(O)=O;CC1=C(NC(SC1)C(C(=O)O)NC(=O)Cc2cccs2)C(=O)O","InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1","HYDROLYZED CEPHALOTHIN","2002-02-07","2024-09-27","(2S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["6Z0","N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","C18 H14 F3 N5 O2","FC1(F)C(NC(=[N@H])OC1)(c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F)C;C[C]1(NC(=N)OCC1(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C(COC(=N)N1)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1","","2013-02-08","2014-09-05","5-cyano-N-{3-[(2Z,4R)-5,5-difluoro-2-imino-4-methyl-1,3-oxazinan-4-yl]-4-fluorophenyl}pyridine-2-carboxamide","2013-05-01"],["KCQ","(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE","C8 H14 N2 O2","O=C1NCCC1CC(N)C(=O)C;CC(=O)[CH](N)C[CH]1CCNC1=O;CC(=O)C(CC1CCNC1=O)N","InChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7-/m0/s1","","2007-06-07","2024-09-27","(3S)-3-[(2S)-2-amino-3-oxobutyl]pyrrolidin-2-one",""],["6Z1","2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","C17 H13 N3 O5","Cc1onc(c1)C(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O;Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O","InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)","","2015-07-09","2016-01-08","2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","2016-01-13"],["KCR","N-6-crotonyl-L-lysine","C10 H18 N2 O3","NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C;CC=CC(=O)NCCCC[CH](N)C(O)=O;CC=CC(=O)NCCCCC(C(=O)O)N","InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1","","2015-03-26","2024-09-27","N~6~-[(2E)-but-2-enoyl]-L-lysine","2015-09-16"],["6Z2","7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one","C21 H20 F N5 O","C[CH](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c4ccc(F)cc4;CC(c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C","InChI=1S/C21H20FN5O/c1-13(14-6-8-15(22)9-7-14)27-18-17(21(2,3)19(27)28)12-24-20(26-18)25-16-5-4-10-23-11-16/h4-13H,1-3H3,(H,24,25,26)/t13-/m0/s1","","2016-07-27","2017-05-26","7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one","2017-05-31"],["KCS","carbonotrithioic acid","C H2 S3","S=C(S)S;SC(S)=S;C(=S)(S)S","InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)","Trithiocarbonic acid","2009-10-19","2020-06-17","carbonotrithioic acid",""],["KCT","(5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid","C21 H13 N3 O3","O=C(O)C6c5c2c1ccccc1nc2c4nc3ccccc3c4c5C(=O)N6;OC(=O)[CH]1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25;c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4C(=O)O","InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,19,22-23H,(H,24,25)(H,26,27)/t19-/m0/s1","","2012-05-09","2012-08-03","(5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid",""],["6Z3","(2~{S},4~{R})-1-[(2~{S})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C27 H33 N5 O4 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(CC4)C#N)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C#N)O","InChI=1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/s1","","2016-07-27","2016-11-04","(2~{S},4~{R})-1-[(2~{S})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2016-11-09"],["KCU","4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide","C20 H18 Cl N5 O","Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1;CCCn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4;CCCn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4","InChI=1S/C20H18ClN5O/c1-2-10-26-18(15(21)12-22-26)20(27)23-14-8-9-16-17(11-14)25-19(24-16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,27)(H,24,25)","","2022-02-03","2022-10-07","4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide","2022-10-12"],["6Z4","(3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid","C27 H27 Cl F3 N5 O3","Nc1nc(O[CH](c2ccc(Cl)cc2c3ccccc3)C(F)(F)F)cc(n1)N4CCC5(CC4)CN[CH](C5)C(O)=O;c1ccc(cc1)c2cc(ccc2C(C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)CC(NC5)C(=O)O)Cl","InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1","","2016-07-27","2017-01-20","(3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid","2017-01-25"],["KCV","5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol","C12 H12 Cl N3 O S","Sc1nnc(COc2ccc(Cl)cc2)n1CC=C;Sc1nnc(COc2ccc(Cl)cc2)n1CC=C;C=CCn1c(nnc1S)COc2ccc(cc2)Cl","InChI=1S/C12H12ClN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)","","2023-05-05","2023-06-09","5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol","2023-06-14"],["6Z5","5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one","C23 H20 N4 O2","CC1(C)C(=O)N([CH]2C=Cc3c(O)cccc23)c4nc(Nc5ccccc5)ncc14;CC1(c2cnc(nc2N(C1=O)C3C=Cc4c3cccc4O)Nc5ccccc5)C","InChI=1S/C23H20N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-13,18,28H,1-2H3,(H,24,25,26)/t18-/m0/s1","","2016-07-27","2017-05-26","5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one","2017-05-31"],["6Z6","2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile","C27 H22 N2 O3","COc1ccc(cc1)[CH]2C(=C(N)OC3=C2C(=O)C[CH](C3)c4cccc5ccccc45)C#N;COc1ccc(cc1)C2C(=C(OC3=C2C(=O)CC(C3)c4cccc5c4cccc5)N)C#N","InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3/t18-,25?/m1/s1","","2016-07-28","2017-04-14","(7~{S})-2-azanyl-4-(4-methoxyphenyl)-7-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile","2017-04-19"],["KCX","LYSINE NZ-CARBOXYLIC ACID","C7 H14 N2 O4","O=C(O)NCCCCC(C(=O)O)N;N[CH](CCCCNC(O)=O)C(O)=O;C(CCNC(=O)O)CC(C(=O)O)N","InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1","","1999-07-08","2024-09-27","N~6~-carboxy-L-lysine",""],["6Z7","7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium","C23 H24 N3 O3","O=C(c2ccc(Nc1cc(O)cc(OC)c1)cc2)Nc3ccc4c(c3)C[NH2+]CC4;COc1cc(O)cc(Nc2ccc(cc2)C(=O)Nc3ccc4CC[NH2+]Cc4c3)c1;COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4","InChI=1S/C23H23N3O3/c1-29-22-12-20(11-21(27)13-22)25-18-5-3-16(4-6-18)23(28)26-19-7-2-15-8-9-24-14-17(15)10-19/h2-7,10-13,24-25,27H,8-9,14H2,1H3,(H,26,28)/p+1","","2014-05-13","2014-10-03","7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium","2014-10-08"],["KCY","D-homocysteine","C4 H9 N O2 S","C(C(N)CCS)(=O)O;N[CH](CCS)C(O)=O;C(CS)C(C(=O)O)N","InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1","","2015-03-10","2024-09-27","D-homocysteine","2015-04-15"],["KCZ","4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol","C17 H21 N O2","C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2;CC(CNCCc1ccc(c(c1)O)O)c2ccccc2","InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1","","2019-05-13","2019-10-04","4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol","2019-10-09"],["6Z8","8-[(3~{R})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione","C19 H23 Br N6 O2","CN1C(=O)N(C)c2nc(N3CCC[CH](N)C3)n(Cc4ccccc4Br)c2C1=O;CN1c2c(n(c(n2)N3CCCC(C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C","InChI=1S/C19H23BrN6O2/c1-23-16-15(17(27)24(2)19(23)28)26(10-12-6-3-4-8-14(12)20)18(22-16)25-9-5-7-13(21)11-25/h3-4,6,8,13H,5,7,9-11,21H2,1-2H3/t13-/m1/s1","","2016-07-28","2016-09-09","8-[(3~{R})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione","2016-09-14"],["KD0","3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid","C8 H15 O11 P","O=P(O)(O)OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CC(=O)C(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O","InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1","","2008-08-06","2011-06-04","3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid",""],["6Z9","3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","C18 H19 F3 N2 O5 S2","N[S](=O)(=O)c1c(F)c(F)c(c(N[CH]2CCCc3ccccc23)c1F)[S](=O)(=O)CCO;c1ccc2c(c1)CCCC2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F","InChI=1S/C18H19F3N2O5S2/c19-13-14(20)18(29(25,26)9-8-24)16(15(21)17(13)30(22,27)28)23-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12,23-24H,3,5,7-9H2,(H2,22,27,28)/t12-/m0/s1","","2016-07-28","2017-08-11","2,3,6-tris(fluoranyl)-4-(2-hydroxyethylsulfonyl)-5-[[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide","2017-08-16"],["KD3","3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid","C8 H14 O8","OC(=O)C1(O)CC(O)C(O)C(O1)C(O)CO;OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O","InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8+/m1/s1","","2023-02-14","2023-03-03","3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid","2023-03-08"],["6ZA","2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one","C10 H12 N5 O6 P S","N=4C(c3ncn(C2OC1COP(=S)(OC1C2O)O)c3NC=4N)=O;NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O)c2N1;c1nc2c(n1C3C(C4C(O3)COP(=S)(O4)O)O)NC(=NC2=O)N","InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22-/m1/s1","","2016-07-28","2019-12-11","2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one","2017-08-02"],["KD4","2-chloro-5-methoxy-3-methylquinoxaline","C10 H9 Cl N2 O","COc1cccc2nc(Cl)c(C)nc12;COc1cccc2nc(Cl)c(C)nc12;Cc1c(nc2cccc(c2n1)OC)Cl","InChI=1S/C10H9ClN2O/c1-6-10(11)13-7-4-3-5-8(14-2)9(7)12-6/h3-5H,1-2H3","","2022-02-03","2022-10-07","2-chloro-5-methoxy-3-methylquinoxaline","2022-10-12"],["6ZB","N-hydroxy-L-tryptophanamide","C11 H13 N3 O2","O=C(NO)C(N)Cc2c1ccccc1nc2;N[CH](Cc1c[nH]c2ccccc12)C(=O)NO;c1ccc2c(c1)c(c[nH]2)CC(C(=O)NO)N","InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1","N-hydroxy-L-tryptophanamide","2016-07-28","2021-03-01","N-hydroxy-L-tryptophanamide","2017-11-08"],["KD5","4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid","C8 H12 O7","O=C(O)C(=O)CC1OC(CO)C(O)C1O;OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O","InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1","","2012-03-22","2020-07-17","4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid","2013-03-27"],["6ZC","4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside","C14 H18 N2 O8","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O;CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O","InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1","N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide; 4-nitrophenyl\n2-acetamido-2-deoxy-alpha-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside; 4-nitrophenyl\n2-acetamido-2-deoxy-glucoside","2016-07-29","2020-07-17","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide","2016-08-10"],["6ZD","5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine","C15 H23 Cl N7 O10 P S","C1(C(C(COP(CS(=O)(NCCNC(CCl)=O)=O)(O)=O)OC1n3c2c(C(N=C(N)N2)=O)nc3)O)O;NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)C[S](=O)(=O)NCCNC(=O)CCl)[CH](O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N","InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1","","2016-07-29","2024-09-27","5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine","2017-04-12"],["KD6","5-bromanyl-6-chloranyl-1~{H}-indole","C8 H5 Br Cl N","Clc1cc2[nH]ccc2cc1Br;c1c[nH]c2c1cc(c(c2)Cl)Br","InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H","","2022-05-24","2022-10-07","5-bromanyl-6-chloranyl-1~{H}-indole","2022-10-12"],["KD7","N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide","C33 H42 N8 O4 S2","C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4;CC(C)[CH](NC(=O)[CH](Cc1cscn1)NC(=O)CCc2ccccc2)C(=O)N[CH](CCCNC(N)=N)[CH](O)c3sc4ccccc4n3;CC(C)C(C(=O)NC(CCCNC(=N)N)C(c1nc2ccccc2s1)O)NC(=O)C(Cc3cscn3)NC(=O)CCc4ccccc4","InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1","","2018-11-20","2024-09-27","N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide","2019-10-02"],["6ZE","2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one","C17 H18 O3","c32c(cc1c(c(C)oc1c2)C)C(C)=C(C(=O)O3)CCC;CCCC1=C(C)c2cc3c(C)c(C)oc3cc2OC1=O;CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C","InChI=1S/C17H18O3/c1-5-6-12-10(3)14-7-13-9(2)11(4)19-15(13)8-16(14)20-17(12)18/h7-8H,5-6H2,1-4H3","","2016-07-29","2017-03-03","2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one","2017-03-08"],["6ZF","7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine","C20 H25 N7","CN(C)c1ccc(cn1)c2cc3nccnc3c(NC[CH]4CCCNC4)n2;CN(C)c1ccc(cn1)c2cc3c(c(n2)NCC4CCCNC4)nccn3","InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1","","2016-07-30","2016-09-09","7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine","2016-09-14"],["KD8","6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one","C8 H8 N4 O S","Cc1nc2NC(=S)NC(=O)c2nc1C;Cc1c(nc2c(n1)C(=O)NC(=S)N2)C","InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)","","2019-05-14","2020-04-10","6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one","2020-04-15"],["6ZG","~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine","C18 H21 N5","Cc1ccc(cc1)c2cc3nccnc3c(NCCCCN)n2;Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3","InChI=1S/C18H21N5/c1-13-4-6-14(7-5-13)15-12-16-17(21-11-10-20-16)18(23-15)22-9-3-2-8-19/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,22,23)","","2016-07-30","2016-09-09","~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine","2016-09-14"],["KD9","3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)","C24 H24 N5 O15 P3","O=C(c1ccccc1)c1ccc(cc1)C(=O)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](OC(=O)c4ccc(cc4)C(=O)c5ccccc5)[CH]3O;c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)OC3C(OC(C3O)n4cnc5c4ncnc5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1","","2023-08-10","2024-08-09","3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)","2024-08-14"],["KDA","prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid","C11 H18 O8","O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1;OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C(O)=O;C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O","InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7-,8-,9-,11-/m1/s1","(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL; prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulosidonic acid;\nprop-2-en-1-yl 3-deoxy-D-manno-oct-2-ulosidonic acid; prop-2-en-1-yl 3-deoxy-manno-oct-2-ulosidonic acid","2003-09-15","2020-07-17","prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid",""],["6ZH","[[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium","C13 H19 N8 O3","NC(=[NH2+])NCC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C=CCNC(=[NH2+])N)O)O)N","InChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/p+1/b2-1+/t6-,8-,9-,12-/m1/s1","","2016-07-30","2017-06-16","[[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium","2017-06-21"],["KDB","3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid","C8 H12 O6","OC1(C(=O)O)C=CCC(C(CO)O)O1;OC[CH](O)[CH]1CC=C[C](O)(O1)C(O)=O;C1C=CC(OC1C(CO)O)(C(=O)O)O","InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1","3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid; 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulosonic acid;\n3,4,5-trideoxy-D-erythro-oct-3-en-2-ulosonic acid; 3,4,5-trideoxy-erythro-oct-3-en-2-ulosonic acid","2008-01-04","2020-07-17","3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid",""],["6ZI","3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide","C24 H21 F N2 O2","O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1;Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4ccc(nc4)C5CC5)cc1;c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F","InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28)","","2021-08-10","2022-03-11","3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide","2022-03-16"],["KDC","7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole","C17 H16 N4 O S2","CCOc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1;CCOc1cc(CSc2[nH]c3c4scnc4ccc3n2)ncc1C;CCOc1cc(ncc1C)CSc2[nH]c3c(n2)ccc4c3scn4","InChI=1S/C17H16N4OS2/c1-3-22-14-6-11(18-7-10(14)2)8-23-17-20-12-4-5-13-16(15(12)21-17)24-9-19-13/h4-7,9H,3,8H2,1-2H3,(H,20,21)","","2022-02-03","2022-10-07","7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole","2022-10-12"],["6ZJ","Iron(III) dicitrate","C12 H10 Fe O14","O=C1CC2(O)CC(=O)O[Fe]34(OC(=O)CC(O)(CC(=O)O4)C(=O)O3)(O1)OC2=O;OC12CC(=O)O[Fe]34(OC(=O)C1)(OC(=O)CC(O)(CC(=O)O3)C(=O)O4)OC2=O;C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O","InChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+6/p-6","","2016-08-01","2025-11-10","bis(2-hydroxypropane-1,2,3-tricarboxylato-kappa~3~O~1~,O~2~,O~3~)iron","2017-01-25"],["KDD","2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid","C8 H12 O6","OC[CH](O)[CH]1C[CH](O)C=C(O1)C(O)=O;C1C(C=C(OC1C(CO)O)C(=O)O)O","InChI=1S/C8H12O6/c9-3-5(11)6-1-4(10)2-7(14-6)8(12)13/h2,4-6,9-11H,1,3H2,(H,12,13)/t4-,5-,6+/m1/s1","5-deoxy-4-epi-2,3-dehydro-alpha-D-manno-oct-2-ulosonic acid","2008-01-11","2020-07-17","(2~{S})-2-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-3,4-dihydro-2~{H}-pyran-6-carboxylic acid",""],["6ZK","4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide","C25 H19 Br N6 O","NC(=O)c1ccc(cc1)c2ccc(cc2)c3cc(NCc4cccnc4)n5ncc(Br)c5n3;c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N","InChI=1S/C25H19BrN6O/c26-21-15-30-32-23(29-14-16-2-1-11-28-13-16)12-22(31-25(21)32)19-7-3-17(4-8-19)18-5-9-20(10-6-18)24(27)33/h1-13,15,29H,14H2,(H2,27,33)","","2016-08-01","2017-01-20","4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide","2017-01-25"],["KDE","prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid","C11 H18 O8","O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1;OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C(O)=O;C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O","InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1","ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL; prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulosidonic acid;\nprop-2-en-1-yl 3-deoxy-L-gulo-oct-2-ulosidonic acid; prop-2-en-1-yl 3-deoxy-gulo-oct-2-ulosidonic acid","2008-01-18","2020-07-17","prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid",""],["6ZL","2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C43 H80 O22","C(CCCC(COC1C(C(C(C(O1)CO)OC2OC(CO)C(O)C(O)C2O)O)O)(COC3C(C(C(C(O3)CO)OC4OC(CO)C(O)C(O)C4O)O)O)CCCCCCCC)CCCC;CCCCCCCCC(CCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;CCCCCCCCC(CCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C43H80O22/c1-3-5-7-9-11-13-15-43(16-14-12-10-8-6-4-2,21-58-39-35(56)31(52)37(25(19-46)62-39)64-41-33(54)29(50)27(48)23(17-44)60-41)22-59-40-36(57)32(53)38(26(20-47)63-40)65-42-34(55)30(51)28(49)24(18-45)61-42/h23-42,44-57H,3-22H2,1-2H3/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1","","2016-08-01","2017-04-07","2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2017-04-12"],["6ZM","1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one","C18 H20 N4 O","C1N(C(=O)C)CCc4c1cnc(NC2Cc3c(C2)cccc3)n4;CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1;CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1","InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)","","2016-08-01","2016-08-05","1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one","2016-08-10"],["KDF","3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid","C6 H10 O6","O=C(O)C1(O)OC(CO)C(O)C1;OC[CH]1O[C](O)(C[CH]1O)C(O)=O;C1C(C(OC1(C(=O)O)O)CO)O","InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1","2-keto-3-deoxygluconate; 3-deoxy-alpha-D-erythro-hex-2-ulosonic acid; 3-deoxy-D-erythro-hex-2-ulosonic acid;\n3-deoxy-erythro-hex-2-ulosonic acid","2007-09-04","2020-07-17","3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid",""],["KDG","2-KETO-3-DEOXYGLUCONATE","C6 H10 O6","O=C(C(=O)O)CC(O)C(O)CO;OC[CH](O)[CH](O)CC(=O)C(O)=O;C(C(C(CO)O)O)C(=O)C(=O)O","InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1","","2004-04-12","2024-09-27","3-deoxy-D-erythro-hex-2-ulosonic acid",""],["6ZN","6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one","C26 H25 N5 O3","c1c6c(ccc1C(CCN3Cc2cnc(nc2CC3)NC5Cc4ccccc4C5)=O)NC(=O)O6;O=C1Nc2ccc(cc2O1)C(=O)CCN3CCc4nc(NC5Cc6ccccc6C5)ncc4C3;c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6","InChI=1S/C26H25N5O3/c32-23(18-5-6-22-24(13-18)34-26(33)30-22)8-10-31-9-7-21-19(15-31)14-27-25(29-21)28-20-11-16-3-1-2-4-17(16)12-20/h1-6,13-14,20H,7-12,15H2,(H,30,33)(H,27,28,29)","","2016-08-01","2016-08-05","6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one","2016-08-10"],["KDH","(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate","C22 H18 O11","O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4;Oc1cc(O)c2C[CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](Oc2c1)c4cc(O)c(O)c(O)c4;c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","(-)-Epigallocatechin-3-gallate; EGCG","2009-01-13","2025-04-18","(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate",""],["6ZO","(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate","C22 H21 Cl2 N3 O5","C(c1cc(cc(c1)Cl)Cl)OC(N4CCN(CCC(c3cc2OC(=O)Nc2cc3)=O)CC4)=O;Clc1cc(Cl)cc(COC(=O)N2CCN(CC2)CCC(=O)c3ccc4NC(=O)Oc4c3)c1;c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2","InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)","","2016-08-01","2016-08-05","(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate","2016-08-10"],["KDI","3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE","C20 H28 N6 O4 S","O=S(=O)(c2ccc(c1nc(C(=O)NCCCOC)c(nc1)N)cc2)N3CCN(C)CC3;COCCCNC(=O)c1nc(cnc1N)c2ccc(cc2)[S](=O)(=O)N3CCN(C)CC3;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N","InChI=1S/C20H28N6O4S/c1-25-9-11-26(12-10-25)31(28,29)16-6-4-15(5-7-16)17-14-23-19(21)18(24-17)20(27)22-8-3-13-30-2/h4-7,14H,3,8-13H2,1-2H3,(H2,21,23)(H,22,27)","","2011-12-15","2014-09-05","3-amino-N-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide",""],["6ZP","2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile","C23 H15 N3 O","N#Cc1ccccc1C3=CC(c2ncccc2)=CN(C3=O)c4ccccc4;O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4;c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4","InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H","","2016-08-01","2016-10-14","2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile","2016-10-19"],["KDJ","(1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid","C8 H19 F2 N O24 P6","N(C(C(P(O)(O)=O)(F)F)=O)C1C(C(C(C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OP(O)(=O)O)OP(O)(O)=O;O[P](O)(=O)O[CH]1[CH](NC(=O)C(F)(F)[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)NC(=O)C(F)(F)P(=O)(O)O","InChI=1S/C8H19F2NO24P6/c9-8(10,36(13,14)15)7(12)11-1-2(31-37(16,17)18)4(33-39(22,23)24)6(35-41(28,29)30)5(34-40(25,26)27)3(1)32-38(19,20)21/h1-6H,(H,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t1-,2-,3+,4+,5-,6+","","2018-11-26","2019-08-16","(1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid","2019-08-21"],["6ZQ","3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one","C26 H26 Cl F N4 O","Clc1ccccc1N3C(=O)c2cc(F)ccc2N=C3CCc4nc(ccc4)CN(CC)CC;CCN(CC)Cc1cccc(CCC2=Nc3ccc(F)cc3C(=O)N2c4ccccc4Cl)n1;CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F","InChI=1S/C26H26ClFN4O/c1-3-31(4-2)17-20-9-7-8-19(29-20)13-15-25-30-23-14-12-18(28)16-21(23)26(33)32(25)24-11-6-5-10-22(24)27/h5-12,14,16H,3-4,13,15,17H2,1-2H3","","2016-08-01","2016-10-14","3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one","2016-10-19"],["KDK","4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide","C17 H21 N3 S","NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(sc2CC3CCNCC3)C(=N)N","InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19)","","2019-05-14","2020-06-12","4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide","2020-06-17"],["6ZR","(3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","C20 H23 N O6","COc1ccc(cc1O)[CH]2[CH](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3;CC1C(N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC","InChI=1S/C20H23NO6/c1-11-18(12-6-7-15(24-2)14(22)8-12)21(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-11,18,22H,1-5H3/t11-,18-/m1/s1","","2016-08-02","2017-03-17","(3~{R},4~{R})-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","2017-03-22"],["KDL","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C110 H202 N2 O39 P2","CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(C(C(O3)C(CO)O)O)O)C(=O)O)C(=O)O)OCC4C(C(C(C(O4)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC","InChI=1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1","","2021-10-06","2022-03-04","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2022-03-09"],["6ZS","L-isovaline","C5 H11 N O2","CC[C](C)(N)C(O)=O;CCC(C)(C(=O)O)N","InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1","","2016-08-02","2024-09-27","(2~{S})-2-azanyl-2-methyl-butanoic acid","2017-10-04"],["KDM","deamino-alpha-neuraminic acid","C9 H16 O9","OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O","InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1","alpha-deaminoneuraminic acid; 3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid; sialic acid;\n(2R,4S,5R,6R)-2,4,5-TRIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC-ACID","2010-11-26","2020-07-17","(2R,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",""],["6ZT","(4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one","C32 H34 Cl2 N4 O3","COc1ccccc1n2nc3C(=O)N([CH](c4ccc(Cl)cc4C)c3c2C(C)C)c5cc(Cl)ccc5OCCN(C)C;Cc1cc(ccc1C2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl","InChI=1S/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3/t31-/m0/s1","","2016-08-03","2016-09-02","(4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one","2016-09-07"],["6ZU","3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate","C18 H16 O5 S","c23OC(=O)C(Cc1ccccc1)=C(C)c2ccc(c3)OS(C)(=O)=O;CC1=C(Cc2ccccc2)C(=O)Oc3cc(O[S](C)(=O)=O)ccc13;CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3","InChI=1S/C18H16O5S/c1-12-15-9-8-14(23-24(2,20)21)11-17(15)22-18(19)16(12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3","","2016-08-03","2017-03-03","3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate","2017-03-08"],["KDN","deamino-beta-neuraminic acid","C9 H16 O9","O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1;OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O","InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1","beta-deaminoneuraminic acid; 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid; sialic acid","2008-09-18","2020-07-17","3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid",""],["KDO","3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid","C8 H14 O8","O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1;OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O","InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1","3-deoxy-d-manno-oct-2-ulopyranosonic acid; 2-keto-3-deoxy-D-mannooctanoic acid; 3-deoxy-alpha-D-manno-oct-2-ulosonic acid; 3-deoxy-D-manno-oct-2-ulosonic acid; 3-deoxy-manno-oct-2-ulosonic acid","1999-07-08","2026-01-20","3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid",""],["6ZV","N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py\nrimidin-2-amine","C27 H32 F2 N8","C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5;CCN1CCN(CC1)Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2;CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F","InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)","Abemaciclib","2016-08-03","2020-06-17","N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine","2016-08-23"],["6ZW","7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one","C14 H17 N O2","O=C2Oc1cc(ccc1C(=C2)C)N(CC)CC;CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C;CCN(CC)c1ccc2c(c1)OC(=O)C=C2C","InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3","","2016-08-03","2017-03-03","7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one","2017-03-08"],["KDP","2-KETO-DEOXY-GALACTOSE","C6 H11 O9 P","O=P(O)(O)OCC(O)C(O)CC(=O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O;C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O","InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1","","2007-08-02","2024-09-27","3-deoxy-6-O-phosphono-D-threo-hex-2-ulosonic acid",""],["KDQ","(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide","C22 H26 Cl N3 O5 S","OCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3;c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCCC2C(=O)NCc3cc(ccc3CO)Cl","InChI=1S/C22H26ClN3O5S/c23-19-9-8-17(14-27)18(11-19)12-24-22(29)20-7-4-10-26(20)21(28)13-25-32(30,31)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,20,25,27H,4,7,10,12-15H2,(H,24,29)/t20-/m0/s1","","2019-05-14","2019-11-22","(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide","2019-11-27"],["6ZX","(E)-3-(4-chlorophenyl)but-2-enoic acid","C10 H9 Cl O2","CC(=CC(O)=O)c1ccc(Cl)cc1;CC(=CC(=O)O)c1ccc(cc1)Cl","InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+","","2015-10-28","2016-02-26","(E)-3-(4-chlorophenyl)but-2-enoic acid","2016-03-02"],["6ZY","2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one","C22 H25 N O4","C2(=O)C(CCC(=O)N1CCCCC1)=C(c3c(O2)cc4c(c3)c(c(o4)C)C)C;Cc1oc2cc3OC(=O)C(=C(C)c3cc2c1C)CCC(=O)N4CCCCC4;Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C","InChI=1S/C22H25NO4/c1-13-15(3)26-19-12-20-18(11-17(13)19)14(2)16(22(25)27-20)7-8-21(24)23-9-5-4-6-10-23/h11-12H,4-10H2,1-3H3","","2016-08-03","2017-03-03","2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one","2017-03-08"],["KDR","prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside","C11 H18 O7","O=CC1(OCC=C)OC(C(O)CO)C(O)C(O)C1;OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C=O;C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C=O","InChI=1S/C11H18O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h2,6-10,12,14-16H,1,3-5H2/t7-,8-,9-,10-,11-/m1/s1","prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside; prop-2-en-1-yl 3-deoxy-D-manno-octos-2-uloside; prop-2-en-1-yl\n3-deoxy-manno-octos-2-uloside","2008-01-14","2020-07-17","prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside",""],["KDS","4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide","C23 H22 F3 N3 O2","c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)c4)OC(F)(F)F;FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)Cc3cnc4ccccc4c3)cc1;c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F","InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30)","","2018-11-26","2019-11-15","4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide","2019-11-20"],["6ZZ","7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C23 H30 N8 O","c1(nc2c(cn1)cc(C(N(C)C)=O)n2C3CCCC3)Nc4ncc(cc4)N5CCNCC5;CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N4CCNCC4)nc2n1C5CCCC5;CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5","InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)","Ribociclib","2016-08-03","2020-06-17","7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2016-08-23"],["KDT","N-(6-AMINO-1-(4-BROMOBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE","C18 H17 Br N4 O4 S","CN(C1=C(N)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3","InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)14-5-3-2-4-6-14)15-16(20)23(18(25)21-17(15)24)11-12-7-9-13(19)10-8-12/h2-10H,11,20H2,1H3,(H,21,24,25)","","2016-01-18","2017-02-17","N-[6-azanyl-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide","2017-02-22"],["700","[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-AZETIDINE-3-CARBOXYLIC ACID","C22 H20 Cl N3 O4","O=C(O)C4CN(C(=O)C(NC(=O)c2cc1cc(Cl)ccc1n2)Cc3ccccc3)C4;OC(=O)[CH]1CN(C1)C(=O)[CH](Cc2ccccc2)NC(=O)c3[nH]c4ccc(Cl)cc4c3;c1ccc(cc1)CC(C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl","InChI=1S/C22H20ClN3O4/c23-16-6-7-17-14(9-16)10-18(24-17)20(27)25-19(8-13-4-2-1-3-5-13)21(28)26-11-15(12-26)22(29)30/h1-7,9-10,15,19,24H,8,11-12H2,(H,25,27)(H,29,30)/t19-/m0/s1","CP403700; (S)-1-{2-[(5-CHLORO-1H-INDOLE-2-CARBONYL)-AMINO]-3-PHENYL-PROPIONYL}-AZETIDINE-3-CARBOXYLATE","2000-05-09","2020-01-25","1-{N-[(5-chloro-1H-indol-2-yl)carbonyl]-L-phenylalanyl}azetidine-3-carboxylic acid",""],["701","(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE","C18 H24 Cl N3 O5 S2","Clc3sc(/C(=C/S(=O)(=O)NC2C(=O)N(C(C(=O)N1CCOCC1)C)CC2)C)cc3;C[CH](N1CC[CH](N[S](=O)(=O)C=C(C)c2sc(Cl)cc2)C1=O)C(=O)N3CCOCC3;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=C(C)c3ccc(s3)Cl","InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1","","2007-03-27","2011-06-04","(1E)-2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}prop-1-ene-1-sulfonamide",""],["KDU","(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine","C19 H14 Cl2 N6 O","Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1;Clc1cccc(n2nnnc2NCc3ccccc3Oc4ccccn4)c1Cl;c1ccc(c(c1)CNc2nnnn2c3cccc(c3Cl)Cl)Oc4ccccn4","InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)","","2023-08-10","2024-10-11","(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine","2024-10-16"],["702","(1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid","C23 H25 O7 P S","O[P](O)(=O)[CH](CCCc1cccc(Oc2ccccc2Cc3ccccc3)c1)[S](O)(=O)=O;c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCCC(P(=O)(O)O)S(=O)(=O)O","InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/t23-/m1/s1","","2010-01-29","2011-06-04","(1R)-4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid",""],["KDV","quinoline-3-carbonitrile","C10 H6 N2","C(c2cnc1ccccc1c2)#N;N#Cc1cnc2ccccc2c1;c1ccc2c(c1)cc(cn2)C#N","InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H","","2018-11-27","2019-03-22","quinoline-3-carbonitrile","2019-03-27"],["703","5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE","C21 H20 N4 O4 S2","[O-][N+](=O)c1cccc(c1)c4sc3cc2C(=O)N(C(=S)n2c3c4)CCCN5CCOCC5;[O-][N+](=O)c1cccc(c1)c2sc3cc4n(C(=S)N(CCCN5CCOCC5)C4=O)c3c2;c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5","InChI=1S/C21H20N4O4S2/c26-20-17-13-19-16(12-18(31-19)14-3-1-4-15(11-14)25(27)28)24(17)21(30)23(20)6-2-5-22-7-9-29-10-8-22/h1,3-4,11-13H,2,5-10H2","6-[3-(4-MORPHOLINYL)PROPYL]-2-(3-NITROPHENYL)-5-THIOXO-5,6,-DIHYDRO-7H-THIENOL[2',3':4,5]PYRROLO[1,2-C] IMIDAZOL-7-ONE","2000-09-27","2024-09-27","6-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-thioxo-5,6-dihydro-7H-thieno[2',3':4,5]pyrrolo[1,2-c]imidazol-7-one",""],["KDW","~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide","C54 H58 N8 O6","CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)c3cccc(COc4cc(OCc5cncc(c5)C#N)c(CNCCNC(C)=O)cc4C)c3C)cc1OCc6cncc(c6)C#N;Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C","InChI=1S/C54H58N8O6/c1-35-17-47(29-57-13-15-61-39(5)63)53(65-31-43-19-41(23-55)25-59-27-43)21-51(35)67-33-45-9-7-11-49(37(45)3)50-12-8-10-46(38(50)4)34-68-52-22-54(66-32-44-20-42(24-56)26-60-28-44)48(18-36(52)2)30-58-14-16-62-40(6)64/h7-12,17-22,25-28,57-58H,13-16,29-34H2,1-6H3,(H,61,63)(H,62,64)","","2019-05-14","2019-07-19","~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide","2019-07-24"],["KDX","9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one","C11 H9 N3 O2","COc1cccc2[NH]c3c(N=CNC3=O)c21;COc1cccc2[nH]c3C(=O)NC=Nc3c12;COc1cccc2c1c3c([nH]2)C(=O)NC=N3","InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)","","2022-02-03","2022-10-07","9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one","2022-10-12"],["704","N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide","C16 H16 Cl F N6 O","O=C(N(C)C)C(Nc1nc(ncc1F)c3c2cc(Cl)cnc2nc3)C;C[CH](Nc1nc(ncc1F)c2c[nH]c3ncc(Cl)cc23)C(=O)N(C)C;CC(C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F","InChI=1S/C16H16ClFN6O/c1-8(16(25)24(2)3)22-15-12(18)7-21-14(23-15)11-6-20-13-10(11)4-9(17)5-19-13/h4-8H,1-3H3,(H,19,20)(H,21,22,23)/t8-/m0/s1","","2013-11-14","2014-07-25","N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide","2014-07-30"],["705","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide","C28 H29 F N6 O6","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCC)C(O)C5O;CCCNc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O;CCCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O","InChI=1S/C28H29FN6O6/c1-2-9-30-25-21-26(33-13-32-25)35(14-34-21)28-24(39)23(38)20(41-28)4-3-10-31-27(40)18-11-16(12-19(36)22(18)37)15-5-7-17(29)8-6-15/h3-8,11-14,20,23-24,28,36-39H,2,9-10H2,1H3,(H,31,40)(H,30,32,33)/b4-3+/t20-,23-,24-,28-/m1/s1","","2009-06-22","2011-06-04","N-propyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["KDY","2-(1H-indol-4-yl)ethan-1-amine","C10 H12 N2","C(Cc2c1ccnc1ccc2)N;NCCc1cccc2[nH]ccc12;c1cc(c2cc[nH]c2c1)CCN","InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2","","2018-11-27","2019-11-22","2-(1H-indol-4-yl)ethan-1-amine","2019-11-27"],["706","N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide","C22 H23 N5 O","O=C(c2cccnc2NCc1ccncc1)Nc3ccc4c(c3)NCC4(C)C;CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12;CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C","InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)","","2008-09-16","2011-06-04","N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide",""],["KDZ","(3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid","C16 H16 B O5 S","OC(=O)c1cccc2C[CH](SCc3ccccc3)[B-](O)(O)Oc12;[B-]1(C(Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O","InChI=1S/C16H16BO5S/c18-16(19)13-8-4-7-12-9-14(17(20,21)22-15(12)13)23-10-11-5-2-1-3-6-11/h1-8,14,20-21H,9-10H2,(H,18,19)/q-1/t14-/m0/s1","","2019-05-14","2020-04-09","(4~{R})-3,3-bis(oxidanyl)-4-(phenylmethylsulfanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid","2020-03-25"],["707","N-(3-bromo-4-methoxybenzoyl)-beta-alanine","C11 H12 Br N O4","O=C(O)CCNC(c1cc(c(OC)cc1)Br)=O;COc1ccc(cc1Br)C(=O)NCCC(O)=O;COc1ccc(cc1Br)C(=O)NCCC(=O)O","InChI=1S/C11H12BrNO4/c1-17-9-3-2-7(6-8(9)12)11(16)13-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,15)","","2015-09-11","2024-09-27","N-(3-bromo-4-methoxybenzoyl)-beta-alanine","2016-02-24"],["KE0","3-[3,5-bis(chloranyl)phenyl]propan-1-amine","C9 H11 Cl2 N","NCCCc1cc(Cl)cc(Cl)c1;c1c(cc(cc1Cl)Cl)CCCN","InChI=1S/C9H11Cl2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2","","2022-05-24","2022-10-07","3-[3,5-bis(chloranyl)phenyl]propan-1-amine","2022-10-12"],["KE1","meropenem, bound form","C17 H27 N3 O5 S","C1(C)C(=C(NC1C(C=O)C(C)O)C(O)=O)SC2CNC(C2)C(N(C)C)=O;C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O;CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C(C=O)C(C)O","InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10-,11-,12-,13-/m1/s1","(4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d\nihydro-1H-pyrrole-2-carboxylic acid","2018-11-27","2024-09-27","(4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","2018-12-19"],["708","3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid","C29 H26 Cl3 N O5 S","O=C(O)c1cccc(c1)C=Cc4ccc(OCc2c(onc2CS(O)c3c(Cl)cccc3Cl)C(C)C)cc4Cl;CC(C)c1onc(C[SH](O)c2c(Cl)cccc2Cl)c1COc3ccc(C=Cc4cccc(c4)C(O)=O)c(Cl)c3;CC(C)c1c(c(no1)CS(c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)C=Cc4cccc(c4)C(=O)O","InChI=1S/C29H26Cl3NO5S/c1-17(2)27-22(26(33-38-27)16-39(36)28-23(30)7-4-8-24(28)31)15-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17,36,39H,15-16H2,1-2H3,(H,34,35)/b10-9+","","2009-03-17","2011-06-04","3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid",""],["709","N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE","C19 H17 N3 O2","O=C(c1cccc(O)c1C)Nc3c2cc(C(=[N@H])N)ccc2ccc3;Cc1c(O)cccc1C(=O)Nc2cccc3ccc(cc23)C(N)=N;[H]N=C(c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)N","InChI=1S/C19H17N3O2/c1-11-14(5-3-7-17(11)23)19(24)22-16-6-2-4-12-8-9-13(18(20)21)10-15(12)16/h2-10,23H,1H3,(H3,20,21)(H,22,24)","N-{7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}-3-HYDROXY-2-METHYLBENZAMIDE","2005-06-02","2021-03-01","N-(7-carbamimidoylnaphthalen-1-yl)-3-hydroxy-2-methylbenzamide",""],["KE2","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione","C19 H20 N2 O4","Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)ccc1O;Cc1cc(ccc1O)CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O","InChI=1S/C19H20N2O4/c1-11-8-13(4-7-17(11)23)10-16-19(25)20-15(18(24)21-16)9-12-2-5-14(22)6-3-12/h2-8,15-16,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t15-,16-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione","2020-04-22"],["KE3","3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine","C13 H13 Cl2 N5","Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1;Clc1cccc([CH]2NNNN2Cc3cccnc3)c1Cl;c1cc(c(c(c1)Cl)Cl)C2NNNN2Cc3cccnc3","InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1","","2023-08-10","2024-10-11","3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine","2024-10-16"],["70A","(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione","C34 H35 N9 O3","C2(C(c5ccc(C(C)COC(Nc1ccc(c(c1)CN2C)C4(c3nnnn3)CC4)=O)c(c5)C)Nc6cc7c(cc6)c(ncc7)N)=O;C[CH]1COC(=O)Nc2ccc(c(CN(C)C(=O)[CH](Nc3ccc4c(N)nccc4c3)c5ccc1c(C)c5)c2)C6(CC6)c7[nH]nnn7;Cc1cc2ccc1C(COC(=O)Nc3ccc(c(c3)CN(C(=O)C2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C","InChI=1S/C34H35N9O3/c1-19-14-22-4-7-26(19)20(2)18-46-33(45)38-25-6-9-28(34(11-12-34)32-39-41-42-40-32)23(16-25)17-43(3)31(44)29(22)37-24-5-8-27-21(15-24)10-13-36-30(27)35/h4-10,13-16,20,29,37H,11-12,17-18H2,1-3H3,(H2,35,36)(H,38,45)(H,39,40,41,42)/t20-,29+/m0/s1","","2016-08-03","2016-09-23","(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione","2016-09-28"],["KE4","(4R)-5-AMINO-4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]PENTANOIC ACID","C13 H22 N3 O7 P","O=C(O)CCC(NCc1c(cnc(c1O)C)COP(=O)(O)O)CN;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CN)CCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O","InChI=1S/C13H22N3O7P/c1-8-13(19)11(6-16-10(4-14)2-3-12(17)18)9(5-15-8)7-23-24(20,21)22/h5,10,16,19H,2-4,6-7,14H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m1/s1","","2006-07-18","2011-06-04","(4R)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid",""],["70B","Bis-(3-deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-sulfide","C28 H36 N2 O12 S","O=C(c1cccc(OC)c1)NC2C(O)C(OC(CO)C2O)SC4OC(C(O)C(NC(=O)c3cccc(OC)c3)C4O)CO;COc1cccc(c1)C(=O)N[CH]2[CH](O)[CH](CO)O[CH](S[CH]3O[CH](CO)[CH](O)[CH](NC(=O)c4cccc(OC)c4)[CH]3O)[CH]2O;COc1cccc(c1)C(=O)NC2C(C(OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O","InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1","","2013-05-03","2014-09-05","3-deoxy-3-[(3-methoxybenzoyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-1-thio-beta-D-galactopyranoside","2014-05-14"],["KE5","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione","C19 H20 N2 O4","Cc1cc(O)ccc1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O;Cc1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O)O","InChI=1S/C19H20N2O4/c1-11-8-15(23)7-4-13(11)10-17-19(25)20-16(18(24)21-17)9-12-2-5-14(22)6-3-12/h2-8,16-17,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t16-,17-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione","2020-04-22"],["70C","1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid","C37 H40 F N5 O5","C4(N(C)Cc1cc(ccc1C2(C(=O)O)CCCCC2)NC(OCC(C)c3ccc(cc3C)C4Nc5cc6c(cc5)c(ncc6F)N)=O)=O;C[CH]1COC(=O)Nc2ccc(c(CN(C)C(=O)[CH](Nc3ccc4c(N)ncc(F)c4c3)c5ccc1c(C)c5)c2)C6(CCCCC6)C(O)=O;Cc1cc2ccc1C(COC(=O)Nc3ccc(c(c3)CN(C(=O)C2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C","InChI=1S/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/m0/s1","","2016-08-03","2016-09-23","1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid","2016-09-28"],["70D","1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid","C35 H36 F N5 O5","C2(C(c4ccc(C(C)COC(Nc1ccc(c(c1)CN2C)C3(CCC3)C(O)=O)=O)c(c4)C)Nc5cc6c(cc5)c(ncc6F)N)=O;C[CH]1COC(=O)Nc2ccc(c(CN(C)C(=O)[CH](Nc3ccc4c(N)ncc(F)c4c3)c5ccc1c(C)c5)c2)C6(CCC6)C(O)=O;Cc1cc2ccc1C(COC(=O)Nc3ccc(c(c3)CN(C(=O)C2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C","InChI=1S/C35H36FN5O5/c1-19-13-21-5-8-25(19)20(2)18-46-34(45)40-23-7-10-28(35(33(43)44)11-4-12-35)22(14-23)17-41(3)32(42)30(21)39-24-6-9-26-27(15-24)29(36)16-38-31(26)37/h5-10,13-16,20,30,39H,4,11-12,17-18H2,1-3H3,(H2,37,38)(H,40,45)(H,43,44)/t20-,30+/m0/s1","","2016-08-03","2016-09-23","1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid","2016-09-28"],["KE6","6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C17 H19 N7 O","CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1;CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc3cncnc3)n1;Cc1ccc(c(n1)C(=O)Nc2ccn(n2)C(C)C)Nc3cncnc3","InChI=1S/C17H19N7O/c1-11(2)24-7-6-15(23-24)22-17(25)16-14(5-4-12(3)20-16)21-13-8-18-10-19-9-13/h4-11,21H,1-3H3,(H,22,23,25)","","2022-02-03","2022-10-07","6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["KE7","4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide","C25 H29 Cl F3 N5 O4","c2(nc(OC1CCC(C)(CC1)O)c3c(n2)ncc3Cl)Nc4c(cc(cc4)C(N(C)C)=O)OC(C(F)(F)F)C;C[CH](Oc1cc(ccc1Nc2nc3[nH]cc(Cl)c3c(O[CH]4CC[C](C)(O)CC4)n2)C(=O)N(C)C)C(F)(F)F;CC(C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C","InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1","","2018-11-28","2019-05-10","4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide","2019-05-15"],["70E","6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose","C42 H82 O8","C(OCC1C(C(C(C(O)O1)O)O)O)(C(C(O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCCCCC[CH](O)[CH](CCCCCCCCCCCCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OCC1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C42H82O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36(43)35(32-30-28-26-24-22-16-14-12-10-8-6-4-2)41(47)49-34-37-38(44)39(45)40(46)42(48)50-37/h35-40,42-46,48H,3-34H2,1-2H3/t35-,36-,37+,38-,39+,40-,42-/m1/s1","C36  \tGLUCOSE MONOMYCOLATE; C36 GMM","2016-08-04","2020-05-26","6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose","2016-11-16"],["70G","3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid","C14 H18 O2","C(C(O)=O)CC2c1c(C)cccc1CCC2;Cc1cccc2CCC[CH](CCC(O)=O)c12;Cc1cccc2c1C(CCC2)CCC(=O)O","InChI=1S/C14H18O2/c1-10-4-2-5-11-6-3-7-12(14(10)11)8-9-13(15)16/h2,4-5,12H,3,6-9H2,1H3,(H,15,16)/t12-/m1/s1","","2016-08-05","2017-04-07","3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid","2017-04-12"],["KE8","6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one","C22 H27 N7 O2 S","Cn1nccc1Nc2nccc(n2)c3sc4c(c3)C(=O)N(CCN5CCOCC5)C4(C)C;CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C","InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)","","2019-05-15","2019-11-29","6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one","2019-12-04"],["KE9","(E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID","C25 H25 F3 N2 O2","C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F;CC1Cc2c3ccccc3[nH]c2C(N1CC(C)(C)F)c4c(cc(cc4F)C=CC(=O)O)F","InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1","","2015-08-15","2015-12-11","(E)-3-[3,5-bis(fluoranyl)-4-[(1R,3R)-2-(2-fluoranyl-2-methyl-propyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid","2015-12-16"],["70H","(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid","C15 H14 O2","[C@H](CC(O)=O)=Cc2c1c(C)cccc1ccc2;Cc1cccc2cccc(C=CCC(O)=O)c12;Cc1cccc2c1c(ccc2)C=CCC(=O)O","InChI=1S/C15H14O2/c1-11-5-2-6-12-7-3-8-13(15(11)12)9-4-10-14(16)17/h2-9H,10H2,1H3,(H,16,17)/b9-4+","","2016-08-05","2017-04-07","(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid","2017-04-12"],["KEA","2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)","C9 H13 N6 O7 P","C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-];NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2N=[N+]=[N-];C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=[N-]","InChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1","2'-azidocytidine monophosphate","2018-11-28","2020-06-17","2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)","2019-11-27"],["70I","1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one","C29 H28 Cl2 F N11 O2","FC1CN(CCCC(=O)N2CCN(CC2)c3ncc4ncnc(Nc5cc(Cl)c(Oc6ccn7ncnc7c6)c(Cl)c5)c4n3)C1;c1cn2c(cc1Oc3c(cc(cc3Cl)Nc4c5c(cnc(n5)N6CCN(CC6)C(=O)CCCN7CC(C7)F)ncn4)Cl)ncn2","InChI=1S/C29H28Cl2FN11O2/c30-21-10-19(11-22(31)27(21)45-20-3-5-43-24(12-20)35-17-37-43)38-28-26-23(34-16-36-28)13-33-29(39-26)42-8-6-41(7-9-42)25(44)2-1-4-40-14-18(32)15-40/h3,5,10-13,16-18H,1-2,4,6-9,14-15H2,(H,34,36,38)","","2021-08-03","2024-09-27","1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one","2022-07-27"],["KEB","(3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","C20 H22 N2 O4","Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc(C)c1O;Cc1cc(cc(c1O)C)CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O","InChI=1S/C20H22N2O4/c1-11-7-14(8-12(2)18(11)24)10-17-20(26)21-16(19(25)22-17)9-13-3-5-15(23)6-4-13/h3-8,16-17,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t16-,17-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["70J","3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione","C20 H23 N3 O4 S","CN1C(=O)N(Cc2ccccc2)c3ccc(cc3C1=O)[S](O)(O)NC4(C)CC4;CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O","InChI=1S/C20H23N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h3-9,12,21,26-27H,10-11,13H2,1-2H3","","2016-08-05","2018-11-09","3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione","2018-11-14"],["70K","6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide","C25 H29 N5 O4","CN(C(=O)c1cc2c([nH]nc2cc1O)C(=O)N3CCCCC3)c4ccc(cc4)N5CCOCC5;CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5","InChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27)","","2016-08-08","2017-11-24","~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-piperidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide","2017-11-29"],["KEC","2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile","C10 H6 Br Cl N2","Clc1cc2[nH]cc(CC#N)c2cc1Br;c1c2c(cc(c1Br)Cl)[nH]cc2CC#N","InChI=1S/C10H6BrClN2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1H2","","2022-05-25","2022-12-02","2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile","2022-12-07"],["KED","[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","C10 H10 N O4 P","C2(=O)C=C(CP(=O)(O)O)c1ccccc1N2;O[P](O)(=O)CC1=CC(=O)Nc2ccccc12;c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O","InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)","","2018-04-17","2019-04-12","[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","2019-04-17"],["70L","1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide","C24 H25 N5 O2","CCNC(=O)C1(CCC1)c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2;CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4","InChI=1S/C24H25N5O2/c1-2-26-22(31)24(10-5-11-24)17-8-9-19-18(12-17)20(28-23(25)27-19)21(30)29-13-15-6-3-4-7-16(15)14-29/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,26,31)(H2,25,27,28)","","2016-08-08","2017-11-24","1-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]-~{N}-ethyl-cyclobutane-1-carboxamide","2017-11-29"],["KEE","(1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide","C19 H16 N2 O3","O=C(NO)C4C(c1ccccc1)C4c3ccc(c2ocnc2)cc3;ONC(=O)[CH]1[CH]([CH]1c2ccc(cc2)c3ocnc3)c4ccccc4;c1ccc(cc1)C2C(C2C(=O)NO)c3ccc(cc3)c4cnco4","InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1","","2013-10-17","2014-09-05","(1R,2R,3R)-N-hydroxy-2-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropanecarboxamide","2013-12-11"],["70M","3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile","C24 H25 N5 O","Oc1cc2[nH]cc(CCCCN3CCN(CC3)c4ccc(cc4)C#N)c2cc1C#N;c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N","InChI=1S/C24H25N5O/c25-15-18-4-6-21(7-5-18)29-11-9-28(10-12-29)8-2-1-3-19-17-27-23-14-24(30)20(16-26)13-22(19)23/h4-7,13-14,17,27,30H,1-3,8-12H2","","2016-08-08","2017-11-24","3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile","2017-11-29"],["70N","[2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone","C28 H26 F2 N6 O3 S","CN1CCN(CC1)[S](=O)(=O)c2cc(F)c(F)cc2c3ccc4nc(N)nc(C(=O)N5Cc6ccccc6C5)c4c3;CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F","InChI=1S/C28H26F2N6O3S/c1-34-8-10-36(11-9-34)40(38,39)25-14-23(30)22(29)13-20(25)17-6-7-24-21(12-17)26(33-28(31)32-24)27(37)35-15-18-4-2-3-5-19(18)16-35/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33)","","2016-08-08","2017-11-24","[2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone","2017-11-29"],["KEF","CEFUROXIME (OCT-3-ENE FORM)","C16 H16 N4 O8 S","O=C2N1C(C(=CSC1C2NC(=O)C(=NOC)/c3occc3)COC(=O)N)C(=O)O;CON=C(C(=O)N[CH]1[CH]2SC=C(COC(N)=O)[CH](N2C1=O)C(O)=O)c3occc3;CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O","InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11-,14-/m1/s1","(6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-ENE-2-CARB\nOXYLIC ACID; (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO] CEPH-3-EM-4-CARBOXYLIC ACID","1999-10-06","2020-06-17","(2R,6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid",""],["KEG","12-TUNGSTOPHOSPHATE","O40 P W12","O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%15)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12%14[P]([O]479)([O]%16%18%24)[O]%20%21%23;O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12","InChI=1S/HO4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2002-12-23","2023-09-23","",""],["70O","3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide","C27 H36 N4 O2","CN1CCC(CC1)c2ccc(cc2)N(C)C(=O)c3cc4c(CCC(C)(C)C)[nH]nc4cc3O;CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C","InChI=1S/C27H36N4O2/c1-27(2,3)13-10-23-21-16-22(25(32)17-24(21)29-28-23)26(33)31(5)20-8-6-18(7-9-20)19-11-14-30(4)15-12-19/h6-9,16-17,19,32H,10-15H2,1-5H3,(H,28,29)","","2016-08-08","2017-11-24","3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide","2017-11-29"],["KEH","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione","C18 H17 I N2 O4","Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(I)c3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(c3)I)O)O","InChI=1S/C18H17IN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione","2020-04-22"],["70P","(4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one","C18 H22 N4 O2","c1cccc(c1)C(C)Nc2nccc(n2)N3C(COC3=O)C(C)C;CC(C)[CH]1COC(=O)N1c2ccnc(N[CH](C)c3ccccc3)n2;CC(C)C1COC(=O)N1c2ccnc(n2)NC(C)c3ccccc3","InChI=1S/C18H22N4O2/c1-12(2)15-11-24-18(23)22(15)16-9-10-19-17(21-16)20-13(3)14-7-5-4-6-8-14/h4-10,12-13,15H,11H2,1-3H3,(H,19,20,21)/t13-,15+/m0/s1","","2016-08-08","2017-02-03","(4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one","2017-02-08"],["KEI","N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide","C24 H35 Cl N2 O2","OCCCNCCCc1cc(c(Cl)cc1)C(=O)NCC12CC3CC(C1)CC(C2)C3;OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3;c1cc(c(cc1CCCNCCCO)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl","InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)/t18-,19+,20-,24-","","2023-08-11","2024-10-11","N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide","2024-10-16"],["70Q","3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide","C24 H22 N4 O4 S","C2(C(Nc1cccc(S(=O)(=O)N(C)C)c1)=O)=NN(C(c3ccccc23)=O)Cc4ccccc4;CN(C)[S](=O)(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)c4ccccc24)c1;CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4","InChI=1S/C24H22N4O4S/c1-27(2)33(31,32)19-12-8-11-18(15-19)25-23(29)22-20-13-6-7-14-21(20)24(30)28(26-22)16-17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,25,29)","","2016-08-08","2017-02-03","3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide","2017-02-08"],["KEJ","N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C18 H15 Cl N6 O2","c1(cc(Cl)ccc1OC)c4nn(cc4NC(=O)c3c2ncccn2nc3)C;COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cnn4cccnc34;Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4","InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)","","2018-11-29","2019-04-19","N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-04-24"],["70R","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid","C39 H37 Cl F4 N6 O6 S","CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6ccnn6CC(F)(F)F)C(O)=O)c34)c7oc(F)cc7)CC1;Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)OC(Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O","InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1","","2016-08-09","2016-10-21","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid","2016-10-26"],["KEK","(3E,5R)-8-(2-CHLOROPHENYL)-5-METHYL-2,6-DIOXOOCT-3-ENOATE","C15 H14 Cl O4","Clc1ccccc1CCC(=O)C(C=CC(=O)C([O-])=O)C;C[CH](C=CC(=O)C([O-])=O)C(=O)CCc1ccccc1Cl;CC(C=CC(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl","InChI=1S/C15H15ClO4/c1-10(6-8-14(18)15(19)20)13(17)9-7-11-4-2-3-5-12(11)16/h2-6,8,10H,7,9H2,1H3,(H,19,20)/p-1/b8-6+/t10-/m1/s1","","2009-10-02","2011-06-04","(3E,5R)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate",""],["70S","2H-indazol-5-amine","C7 H7 N3","Nc1ccc2c(c1)cnn2;Nc1ccc2n[nH]cc2c1;c1cc2c(cc1N)c[nH]n2","InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)","","2016-08-09","2017-02-10","2H-indazol-5-amine","2017-02-15"],["KEL","N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine","C14 H18 N2 O5","O=C(O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C;C[CH](NC(=O)[CH](CC(=O)NO)Cc1ccccc1)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccccc1)CC(=O)NO","InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1","","2007-11-02","2011-06-04","N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine",""],["70T","2-methyl-5-nitro-1H-indole","C9 H8 N2 O2","c2c1cc(ccc1nc2C)[N+]([O-])=O;Cc1[nH]c2ccc(cc2c1)[N+]([O-])=O;Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-]","InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3","","2016-08-09","2017-02-10","2-methyl-5-nitro-1H-indole","2017-02-15"],["70U","5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE","C12 H17 N2 O10 P S","O=C(OC)CC=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;COC(=O)CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O;COC(=O)CC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C12H17N2O10PS/c1-22-7(15)2-5-3-14(12(26)13-10(5)18)11-9(17)8(16)6(24-11)4-23-25(19,20)21/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,26)(H2,19,20,21)/t6-,8-,9-,11-/m1/s1","","2000-08-08","2011-06-04","5-(2-methoxy-2-oxoethyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",""],["KEM","(3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE","C19 H25 O6","[O-]C(=O)C(=O)C=CC(C(=O)CCC1C(=O)CCC2(C1CCC2O)C)C;C[CH](C=CC(=O)C([O-])=O)C(=O)CC[CH]1[CH]2CC[CH](O)[C]2(C)CCC1=O;CC(C=CC(=O)C(=O)[O-])C(=O)CCC1C2CCC(C2(CCC1=O)C)O","InChI=1S/C19H26O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,11-13,17,23H,4-5,7-10H2,1-2H3,(H,24,25)/p-1/b6-3+/t11-,12-,13-,17+,19+/m1/s1","","2009-10-02","2011-06-04","(3E,5R)-8-[(1S,3aR,4R,7aS)-1-hydroxy-7a-methyl-5-oxooctahydro-1H-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate",""],["KEN","N,N-dimethylmethanamine","C3 H9 N","CN(C)C;CN(C)C","InChI=1S/C3H9N/c1-4(2)3/h1-3H3","","2009-11-17","2011-06-04","N,N-dimethylmethanamine",""],["70V","2-methylcyclohexane-1,3-dione","C7 H10 O2","CC1C(CCCC1=O)=O;CC1C(=O)CCCC1=O;CC1C(=O)CCCC1=O","InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3","","2016-08-09","2017-02-10","2-methylcyclohexane-1,3-dione","2017-02-15"],["KEO","e(R)-beta-lysyl-hydroxylysine","C12 H26 N4 O4","NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O;C(CC(CC(=O)NCCC(CC(C(=O)O)N)O)N)CN","InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1","","2017-10-05","2024-09-27","(2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid","2017-11-22"],["70W","tert-butyl 4-aminopiperidine-1-carboxylate","C10 H20 N2 O2","C(C)(C)(C)OC(N1CCC(N)CC1)=O;CC(C)(C)OC(=O)N1CCC(N)CC1;CC(C)(C)OC(=O)N1CCC(CC1)N","InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3","","2016-08-09","2017-02-10","tert-butyl 4-aminopiperidine-1-carboxylate","2017-02-15"],["KEP","N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C18 H13 Cl F2 N6 O2","c1(cc(Cl)ccc1OC(F)F)c4nn(cc4NC(=O)c3c2ncccn2nc3)C;Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)c4cc(Cl)ccc4OC(F)F;Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4","InChI=1S/C18H13ClF2N6O2/c1-26-9-13(24-17(28)12-8-23-27-6-2-5-22-16(12)27)15(25-26)11-7-10(19)3-4-14(11)29-18(20)21/h2-9,18H,1H3,(H,24,28)","","2018-11-29","2019-04-19","N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-04-24"],["70X","N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide","C23 H28 N4 O2","O=C(NCc1ccccc1)c2cc(ccc2)CN3C(=[N@H])NC(CC3=O)(C)C(C)C;CC(C)[C]1(C)CC(=O)N(Cc2cccc(c2)C(=O)NCc3ccccc3)C(=N)N1;CC(C)C1(CC(=O)N(C(=N)N1)Cc2cccc(c2)C(=O)NCc3ccccc3)C","InChI=1S/C23H28N4O2/c1-16(2)23(3)13-20(28)27(22(24)26-23)15-18-10-7-11-19(12-18)21(29)25-14-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H2,24,26)(H,25,29)/t23-/m0/s1","","2015-02-10","2015-02-13","N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide","2015-02-18"],["KEQ","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione","C19 H20 N2 O4","COc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1;COc1ccc(cc1)CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O","InChI=1S/C19H20N2O4/c1-25-15-8-4-13(5-9-15)11-17-19(24)20-16(18(23)21-17)10-12-2-6-14(22)7-3-12/h2-9,16-17,22H,10-11H2,1H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["70Y","(2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one","C25 H30 N4 O2","O=C4N(c1cc(ccc1)CN2C(=[N@H])NC(CC2=O)(C)C(C)C)CC(c3ccccc3)C4;CC(C)[C]1(C)CC(=O)N(Cc2cccc(c2)N3C[CH](CC3=O)c4ccccc4)C(=N)N1;CC(C)C1(CC(=O)N(C(=N)N1)Cc2cccc(c2)N3CC(CC3=O)c4ccccc4)C","InChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25-/m0/s1","","2015-02-10","2015-02-13","(2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one","2015-02-18"],["KER","3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C20 H11 F5 N4 O2","FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F;Fc1ccc(F)c(c1)n2nccc2C3=NN(C=CC3=O)c4cccc(OC(F)(F)F)c4;c1cc(cc(c1)OC(F)(F)F)N2C=CC(=O)C(=N2)c3ccnn3c4cc(ccc4F)F","InChI=1S/C20H11F5N4O2/c21-12-4-5-15(22)17(10-12)29-16(6-8-26-29)19-18(30)7-9-28(27-19)13-2-1-3-14(11-13)31-20(23,24)25/h1-11H","","2022-02-03","2022-10-07","3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2022-10-12"],["70Z","~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide","C25 H31 N5 O4","CCCCN(C)C(=O)c1[nH]nc2cc(O)c(cc12)C(=O)N(C)c3ccc(cc3)N4CCOCC4;CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4","InChI=1S/C25H31N5O4/c1-4-5-10-28(2)25(33)23-19-15-20(22(31)16-21(19)26-27-23)24(32)29(3)17-6-8-18(9-7-17)30-11-13-34-14-12-30/h6-9,15-16,31H,4-5,10-14H2,1-3H3,(H,26,27)","","2016-08-09","2017-11-24","~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide","2017-11-29"],["KES","N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C17 H11 Cl F2 N6 O2","c2nn1cccnc1c2C(=O)Nc3cnnc3c4cc(ccc4OC(F)F)Cl;FC(F)Oc1ccc(Cl)cc1c2[nH]ncc2NC(=O)c3cnn4cccnc34;c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl","InChI=1S/C17H11ClF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)","","2018-11-29","2019-04-19","N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-04-24"],["710","(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL","C24 H25 N7 O","OCc1nnnc1c2cc3c(cc2)c(nn3)c5cc4cc(ccc4n5)CN6CCCCC6;OCc1n[nH]nc1c2ccc3c([nH]nc3c4[nH]c5ccc(CN6CCCCC6)cc5c4)c2;c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO","InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)","","2006-07-19","2011-06-04","(5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-2H-1,2,3-triazol-4-yl)methanol",""],["KET","2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID","C12 H16 N2 O9 P","O=C(O)CC(/N=C/c1c(c[nH+]c(c1O)C)COP(=O)(O)O)C(=O)O;Cc1[nH+]cc(CO[P](O)(O)=O)c(C=N[CH](CC(O)=O)C(O)=O)c1O;Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O","InChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,17H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/p+1/b14-4+/t9-/m0/s1","PYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE","1999-07-08","2021-03-01","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methylidene)-L-aspartic acid",""],["711","7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID","C27 H31 N6 O","O(c2ccc1nc([n+](c1c2)Cc4cc3cc(C(=[N@H])N)ccc3cc4)C)C5CCN(C(=[N@H])C)CC5;CC(=N)N1CCC(CC1)Oc2ccc3[nH]c(C)[n+](Cc4ccc5ccc(cc5c4)C(N)=N)c3c2;Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C","InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1/b28-17-","ZK-806711","1999-07-08","2021-03-01","3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium",""],["KEU","N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID","C22 H30 F3 N5 O8","O=C1NC(N)NC(N)C1CCCC(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)C(O)(O)C(F)(F)F;N[CH]1N[CH](N)[CH](CCC[CH](c2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)C(O)(O)C(F)(F)F)C(=O)N1;c1cc(ccc1C(CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C22H30F3N5O8/c23-22(24,25)21(37,38)13(3-1-2-12-16(26)29-20(27)30-18(12)34)10-4-6-11(7-5-10)17(33)28-14(19(35)36)8-9-15(31)32/h4-7,12-14,16,20,29,37-38H,1-3,8-9,26-27H2,(H,28,33)(H,30,34)(H,31,32)(H,35,36)/t12?,13-,14+,16+,20-/m1/s1","10-CF3C(OH)2-DDACTHF; HYDROLYZED FORM OF 10-TRIFLUOROACETYL-5,10-DIDEAZA-ACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID","2003-02-20","2020-05-27","N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid",""],["712","3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE","C28 H32 F N3 O5 S","O=S(=O)(N(c1cc(cc(c1)COC(=O)C(N)(C)Cc2ccccc2)C(=O)NC(c3ccc(F)cc3)C)C)C;C[CH](NC(=O)c1cc(COC(=O)[C](C)(N)Cc2ccccc2)cc(c1)N(C)[S](C)(=O)=O)c3ccc(F)cc3;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)C(C)(Cc3ccccc3)N","InChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1","","2007-05-24","2011-06-04","3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-D-phenylalaninate",""],["713","N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide","C20 H19 Cl F N3 O","Fc1ccc(c(Cl)c1)CNC(=O)c2ccc(cc2)Cn3nc(cc3C)C;Cc1cc(C)n(Cc2ccc(cc2)C(=O)NCc3ccc(F)cc3Cl)n1;Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C","InChI=1S/C20H19ClFN3O/c1-13-9-14(2)25(24-13)12-15-3-5-16(6-4-15)20(26)23-11-17-7-8-18(22)10-19(17)21/h3-10H,11-12H2,1-2H3,(H,23,26)","","2014-08-05","2015-07-17","N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide","2015-07-22"],["KEV","N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide","C19 H17 Cl N6 O2","c4c(C(=O)Nc2cn(nc2c1cc(ccc1OC)Cl)C)c3nn(cc3cn4)C;COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn(C)nc34;Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C","InChI=1S/C19H17ClN6O2/c1-25-9-11-7-21-8-14(17(11)23-25)19(27)22-15-10-26(2)24-18(15)13-6-12(20)4-5-16(13)28-3/h4-10H,1-3H3,(H,22,27)","","2018-11-29","2019-04-19","N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide","2019-04-24"],["KEW","(3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","C18 H17 Cl N2 O4","Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(Cl)c3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(c3)Cl)O)O","InChI=1S/C18H17ClN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["714","1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium","C15 H28 N O7 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCCC)c1;CCCCCCCCOc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C15H27NO7P2/c1-2-3-4-5-6-7-11-23-14-9-8-10-16(12-14)13-15(24(17,18)19)25(20,21)22/h8-10,12,15H,2-7,11,13H2,1H3,(H3-,17,18,19,20,21,22)/p+1","","2008-09-11","2011-06-04","1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium",""],["KEX","5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole","C10 H7 Br Cl N5","Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br;c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3","InChI=1S/C10H7BrClN5/c11-7-2-6-5(1-10-14-16-17-15-10)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15,16,17)","","2022-05-25","2022-10-07","5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole","2022-10-12"],["715","(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A\nMINE","C16 H15 F6 N5 O","Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F;N[CH](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F;c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N","InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1","Sitagliptin","2004-08-16","2020-06-17","(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine",""],["716","2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE","C22 H27 Cl N6 O4 S","O=C(c1nccs1)C(NC(=O)C(NC(=O)C(=O)c2cccc(Cl)c2)C(C)C)CCCNC(=[N@H])N;CC(C)[CH](NC(=O)C(=O)c1cccc(Cl)c1)C(=O)N[CH](CCCNC(N)=N)C(=O)c2sccn2;[H]N=C(N)NCCCC(C(=O)c1nccs1)NC(=O)C(C(C)C)NC(=O)C(=O)c2cccc(c2)Cl","InChI=1S/C22H27ClN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-16H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-/m0/s1","","2005-05-18","2024-09-27","N-[(1S)-1-{[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]carbamoyl}-2-methylpropyl]-2-(3-chlorophenyl)-2-oxoacetamide",""],["KEY","N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","C18 H15 Cl N6 O2","c4(c3nn(cc3NC(=O)c1cncc2c1nnc2)C)cc(Cl)ccc4OC;COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn[nH]c34;Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4","InChI=1S/C18H15ClN6O2/c1-25-9-14(17(24-25)12-5-11(19)3-4-15(12)27-2)22-18(26)13-8-20-6-10-7-21-23-16(10)13/h3-9H,1-2H3,(H,21,23)(H,22,26)","","2018-11-29","2019-04-19","N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","2019-04-24"],["717","imidazo[2,1-b][1,3]thiazol-6-ylmethanol","C6 H6 N2 O S","n1c(cn2ccsc12)CO;OCc1cn2ccsc2n1;c1csc2n1cc(n2)CO","InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2","","2009-08-07","2011-06-04","imidazo[2,1-b][1,3]thiazol-6-ylmethanol",""],["KEZ","3-acetylene dicyclotyrosine","C20 H18 N2 O4","Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(c3)C#C)NC2=O)cc1;C#Cc1cc(ccc1O)CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O","InChI=1S/C20H18N2O4/c1-2-14-9-13(5-8-18(14)24)11-17-20(26)21-16(19(25)22-17)10-12-3-6-15(23)7-4-12/h1,3-9,16-17,23-24H,10-11H2,(H,21,26)(H,22,25)/t16-,17-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(3-ethynyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["KF0","N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide","C14 H14 Cl F3 N2 O2","O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C;CN1[CH](CCC1=O)C(=O)NCc2cccc(c2Cl)C(F)(F)F;CN1C(CCC1=O)C(=O)NCc2cccc(c2Cl)C(F)(F)F","InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1","","2023-08-11","2024-10-11","N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide","2024-10-16"],["718","6-hydroxy-3,4-dihydronaphthalen-1(2H)-one","C10 H10 O2","c21C(=O)CCCc1cc(cc2)O;Oc1ccc2C(=O)CCCc2c1;c1cc2c(cc1O)CCCC2=O","InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2","","2016-08-09","2017-02-10","6-hydroxy-3,4-dihydronaphthalen-1(2H)-one","2017-02-15"],["719","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide","C27 H27 F N6 O7","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCO)C(O)C5O;OCCNc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC=CC3C(C(C(O3)n4cnc5c4ncnc5NCCO)O)O)F","InChI=1S/C27H27FN6O7/c28-16-5-3-14(4-6-16)15-10-17(21(37)18(36)11-15)26(40)30-7-1-2-19-22(38)23(39)27(41-19)34-13-33-20-24(29-8-9-35)31-12-32-25(20)34/h1-6,10-13,19,22-23,27,35-39H,7-9H2,(H,30,40)(H,29,31,32)/b2-1+/t19-,22-,23-,27-/m1/s1","","2009-06-22","2011-06-04","N-(2-hydroxyethyl)-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["KF1","N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C21 H16 N6 O2","c4cccc5cc(c1nncc1NC(=O)c2c3ncccn3nc2)c(cc45)OC;COc1cc2ccccc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45;COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5","InChI=1S/C21H16N6O2/c1-29-18-10-14-6-3-2-5-13(14)9-15(18)19-17(12-23-26-19)25-21(28)16-11-24-27-8-4-7-22-20(16)27/h2-12H,1H3,(H,23,26)(H,25,28)","","2018-11-29","2019-04-19","N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-04-24"],["KF2","[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid","C16 H26 N O3 P","CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O;CC(C)CC(CP(=O)(C(CCc1ccccc1)N)O)C=O","InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1","","2019-05-16","2024-09-27","[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid","2019-12-18"],["71A","pyridin-3-ol","C5 H5 N O","c1cncc(c1)O;Oc1cccnc1;c1cc(cnc1)O","InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H","","2016-08-09","2017-02-10","pyridin-3-ol","2017-02-15"],["71B","3-fluoro-4-methoxyaniline","C7 H8 F N O","COc1ccc(cc1F)N;COc1ccc(N)cc1F;COc1ccc(cc1F)N","InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3","","2016-08-09","2017-02-10","3-fluoro-4-methoxyaniline","2017-02-15"],["KF3","2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide","C20 H19 F3 N6 O2","CC(C)(C)c1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(cn1)Nc1cncnc1;CC(C)(C)c1ncc(Nc2cncnc2)c(n1)C(=O)Nc3cccc(OC(F)(F)F)c3;CC(C)(C)c1ncc(c(n1)C(=O)Nc2cccc(c2)OC(F)(F)F)Nc3cncnc3","InChI=1S/C20H19F3N6O2/c1-19(2,3)18-26-10-15(27-13-8-24-11-25-9-13)16(29-18)17(30)28-12-5-4-6-14(7-12)31-20(21,22)23/h4-11,27H,1-3H3,(H,28,30)","","2022-02-03","2022-10-07","2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide","2022-10-12"],["KF4","N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C18 H14 N8 O2","c21cnnc1cc(c(c2)c3nncc3NC(c4cnn5c4nccc5)=O)OC;COc1cc2[nH]ncc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45;COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2","InChI=1S/C18H14N8O2/c1-28-15-6-13-10(7-20-24-13)5-11(15)16-14(9-21-25-16)23-18(27)12-8-22-26-4-2-3-19-17(12)26/h2-9H,1H3,(H,20,24)(H,21,25)(H,23,27)","","2018-11-29","2019-04-19","N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-04-24"],["71C","5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid","C33 H27 N O8","c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45;OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc2cccc(Oc3ccccc3)c2)[CH]4CCCc5ccccc45;c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O","InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1","antagonist A-317491","2016-08-10","2020-06-17","5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid","2016-10-05"],["KF5","9-[(2~{S})-oxan-2-yl]purin-6-amine","C10 H13 N5 O","Nc1ncnc2n(cnc12)[CH]3CCCCO3;c1nc(c2c(n1)n(cn2)C3CCCCO3)N","InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)/t7-/m0/s1","","2019-05-17","2020-02-14","9-[(2~{S})-oxan-2-yl]purin-6-amine","2020-02-19"],["71D","(2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami\nde","C22 H25 Cl N6 O2","c3nc(c1c(n(CCOC)c(c1c2ccc(Cl)cc2)CC(C#N)C(NC(C)C)=O)n3)N;COCCn1c(C[CH](C#N)C(=O)NC(C)C)c(c2ccc(Cl)cc2)c3c(N)ncnc13;CC(C)NC(=O)C(Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N","InChI=1S/C22H25ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,12-13,15H,8-10H2,1-3H3,(H,28,30)(H2,25,26,27)/t15-/m1/s1","Rao-IV-151, bound form","2016-08-10","2024-09-27","(2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide","2017-08-16"],["KF6","5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole","C13 H10 Br Cl N2","Clc1cc2[nH]cc(Cc3[nH]ccc3)c2cc1Br;c1cc([nH]c1)Cc2c[nH]c3c2cc(c(c3)Cl)Br","InChI=1S/C13H10BrClN2/c14-11-5-10-8(4-9-2-1-3-16-9)7-17-13(10)6-12(11)15/h1-3,5-7,16-17H,4H2","","2022-05-25","2022-10-07","5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole","2022-10-12"],["71E","DZ 2384","C34 H36 F N5 O7","CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2;CC(C)C(C(=O)NC1Cc2ccc3c(c2)C4(c5cc(ccc5NC4O3)F)c6c(nc(o6)C(NC1=O)C(C)(C)C)c7nc(co7)CO)O","InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1","optimized synthetic derivative of diazonamide AB-5","2016-08-11","2020-06-17","","2016-11-30"],["KF7","[(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","C21 H20 N3 O3 P S","OP(C(Nc3c2cc(c1ccc(C)cc1)sc2ncn3)Cc4ccccc4)(=O)O;Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4ccccc4)[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(Cc4ccccc4)P(=O)(O)O","InChI=1S/C21H20N3O3PS/c1-14-7-9-16(10-8-14)18-12-17-20(22-13-23-21(17)29-18)24-19(28(25,26)27)11-15-5-3-2-4-6-15/h2-10,12-13,19H,11H2,1H3,(H,22,23,24)(H2,25,26,27)/t19-/m0/s1","","2018-11-29","2019-11-01","[(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","2019-11-06"],["71F","2-methoxybenzoic acid","C8 H8 O3","COc1c(C(O)=O)cccc1;COc1ccccc1C(O)=O;COc1ccccc1C(=O)O","InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)","","2016-08-10","2024-09-27","2-methoxybenzoic acid","2017-02-15"],["KF8","N-[(3S)-piperidin-3-yl]benzamide","C12 H16 N2 O","O=C(NC1CCCNC1)c1ccccc1;O=C(N[CH]1CCCNC1)c2ccccc2;c1ccc(cc1)C(=O)NC2CCCNC2","InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m0/s1","","2023-08-11","2024-08-30","N-[(3S)-piperidin-3-yl]benzamide","2024-09-04"],["71G","3-aminobenzonitrile","C7 H6 N2","c1(cc(N)ccc1)C#N;Nc1cccc(c1)C#N;c1cc(cc(c1)N)C#N","InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2","","2016-08-10","2017-02-10","3-aminobenzonitrile","2017-02-15"],["71H","~{N}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{H}-cyclopenta[d]pyrimidin-1-yl]-~{N}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide","C35 H38 F4 N4 O2 S","CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C(=NC(=O)C5=C4C=CC5)SCc6ccc(F)cc6;CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F","InChI=1S/C35H38F4N4O2S/c1-3-41(4-2)16-17-42(23-33-20-34(21-33,22-33)25-10-12-26(13-11-25)35(37,38)39)30(44)18-43-29-7-5-6-28(29)31(45)40-32(43)46-19-24-8-14-27(36)15-9-24/h5,7-15H,3-4,6,16-23H2,1-2H3/t33-,34+","","2016-08-11","2017-01-26","~{N}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{H}-cyclopenta[d]pyrimidin-1-yl]-~{N}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide","2017-02-01"],["KF9","3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile","C21 H11 F2 N5 O3","N#Cc1cc(ccc1)n1nccc1C1=NN(C=CC1=O)c1cccc2OC(F)(F)Oc12;FC1(F)Oc2cccc(N3C=CC(=O)C(=N3)c4ccnn4c5cccc(c5)C#N)c2O1;c1cc(cc(c1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc5c4OC(O5)(F)F)C#N","InChI=1S/C21H11F2N5O3/c22-21(23)30-18-6-2-5-16(20(18)31-21)27-10-8-17(29)19(26-27)15-7-9-25-28(15)14-4-1-3-13(11-14)12-24/h1-11H","","2022-02-03","2022-10-07","3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile","2022-10-12"],["KFA","[(1R)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","C21 H20 N3 O3 P S","c31c(ncnc1sc(c2ccc(C)cc2)c3)NC(Cc4ccccc4)P(O)(O)=O;Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4ccccc4)[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(Cc4ccccc4)P(=O)(O)O","InChI=1S/C21H20N3O3PS/c1-14-7-9-16(10-8-14)18-12-17-20(22-13-23-21(17)29-18)24-19(28(25,26)27)11-15-5-3-2-4-6-15/h2-10,12-13,19H,11H2,1H3,(H,22,23,24)(H2,25,26,27)/t19-/m1/s1","","2018-11-29","2019-11-01","[(1R)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","2019-11-06"],["71I","(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d]\n[1,3]thiazole-6,7-diol","C11 H20 N2 O4 S","CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CCCCNC1=NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1","Butylaminothiazoline","2015-10-21","2020-06-17","(3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2016-08-31"],["KFB","5-Aminovaleric Acid","C5 H11 N O2","NCCCCC(O)=O;C(CCN)CC(=O)O","InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)","5-aminopentanoic acid","2019-05-17","2024-09-27","5-azanylpentanoic acid","2019-10-23"],["71J","trans-cyclohexane-1,4-diol","C6 H12 O2","OC1CCC(O)CC1;O[CH]1CC[CH](O)CC1;C1CC(CCC1O)O","InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-","","2016-08-10","2017-02-10","trans-cyclohexane-1,4-diol","2017-02-15"],["KFC","~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide","C22 H23 N3 O","Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4;Cc1ccc2c(c1)c(cc(n2)C(=O)NC3CCCC3)Nc4ccccc4","InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)","","2022-05-25","2022-09-23","~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide","2022-09-28"],["71K","2-methylbenzene-1,3-diamine","C7 H10 N2","c1ccc(c(c1N)C)N;Cc1c(N)cccc1N;Cc1c(cccc1N)N","InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3","","2016-08-10","2017-02-10","2-methylbenzene-1,3-diamine","2017-02-15"],["KFD","N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide","C29 H29 N7 O3","C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7;O=C(Nc1cc2nc(oc2cc1N3CCCCC3)N4CCOCC4)c5cccc(n5)c6cnc7[nH]ccc7c6;c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6","InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37)","","2018-11-30","2018-12-07","N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide","2018-12-12"],["71L","4,6-dimethylpyridin-2-amine","C7 H10 N2","c1(N)cc(cc(n1)C)C;Cc1cc(C)nc(N)c1;Cc1cc(nc(c1)N)C","InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)","","2016-08-10","2017-02-10","4,6-dimethylpyridin-2-amine","2017-02-15"],["KFE","(2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide","C22 H38 N2 O5","OC[CH]1N[CH]([CH](O)[CH]1O)C(=O)NCCCCCOCC23CC4CC(CC(C4)C2)C3;C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)C4C(C(C(N4)CO)O)O","InChI=1S/C22H38N2O5/c25-12-17-19(26)20(27)18(24-17)21(28)23-4-2-1-3-5-29-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h14-20,24-27H,1-13H2,(H,23,28)/t14-,15+,16-,17-,18+,19+,20-,22-/m1/s1","","2019-05-20","2020-07-03","(2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide","2020-07-08"],["71M","6-methylpyridin-2-amine","C6 H8 N2","c1c(C)nc(cc1)N;Cc1cccc(N)n1;Cc1cccc(n1)N","InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)","","2016-08-10","2017-02-10","6-methylpyridin-2-amine","2017-02-15"],["KFF","(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid","C15 H24 N6 O9 P2","O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](COCC[P](O)(O)=O)N(C3)C(=O)CC[P](O)(O)=O;c1nc2c(n1C3CC(N(C3)C(=O)CCP(=O)(O)O)COCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10-/m0/s1","","2023-08-11","2024-05-03","(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid","2024-05-08"],["71N","2-(trifluoromethyl)-1H-benzimidazol-5-amine","C8 H6 F3 N3","FC(F)(F)c2nc1c(cc(cc1)N)n2;Nc1ccc2[nH]c(nc2c1)C(F)(F)F;c1cc2c(cc1N)nc([nH]2)C(F)(F)F","InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)","","2016-08-10","2017-02-10","2-(trifluoromethyl)-1H-benzimidazol-5-amine","2017-02-15"],["KFG","dimethyl hydrogen phosphate","C2 H7 O4 P","COP(=O)(O)OC;CO[P](O)(=O)OC;COP(=O)(O)OC","InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)","","2018-11-30","2019-07-19","dimethyl hydrogen phosphate","2019-07-24"],["71O","pyrimidin-2-ol","C4 H4 N2 O","c1ccnc(n1)O;Oc1ncccn1;c1cnc(nc1)O","InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)","","2016-08-11","2019-12-20","pyrimidin-2-ol","2019-12-25"],["KFH","2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","C6 H3 F4 N O2 S","N[S](=O)(=O)c1c(F)c(F)cc(F)c1F;c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F","InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)","","2019-05-20","2020-04-10","2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","2020-04-15"],["71P","~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide","C22 H25 N O5 S","COc1cc2CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC;CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1","","2016-08-12","2016-09-16","~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide","2016-09-21"],["71Q","N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide","C18 H17 Cl F3 N3 O3","N1(CCN(CC1)C(c2ccco2)=O)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl;FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c3occc3)c1;c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F","InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)","","2016-08-12","2016-10-21","N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide","2016-10-26"],["KFI","2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","C21 H17 Cl N6 O","Clc1nc(NC2CC2)cc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;Clc1cc(cc(NC2CC2)n1)C(=O)Nc3ccn4nc(nc4c3)c5ccccc5;c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4cc(nc(c4)Cl)NC5CC5","InChI=1S/C21H17ClN6O/c22-17-10-14(11-18(25-17)23-15-6-7-15)21(29)24-16-8-9-28-19(12-16)26-20(27-28)13-4-2-1-3-5-13/h1-5,8-12,15H,6-7H2,(H,23,25)(H,24,29)","","2022-02-03","2022-10-07","2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","2022-10-12"],["KFJ","4-(4-nitrophenyl)-L-threonine","C10 H12 N2 O5","C(N)(C(O)=O)C(Cc1ccc(cc1)[N+]([O-])=O)O;N[CH]([CH](O)Cc1ccc(cc1)[N+]([O-])=O)C(O)=O;c1cc(ccc1CC(C(C(=O)O)N)O)[N+](=O)[O-]","InChI=1S/C10H12N2O5/c11-9(10(14)15)8(13)5-6-1-3-7(4-2-6)12(16)17/h1-4,8-9,13H,5,11H2,(H,14,15)/t8-,9+/m1/s1","","2018-11-30","2019-07-19","4-(4-nitrophenyl)-L-threonine","2019-07-24"],["71R","dihydrostreptomycin","C21 H41 N7 O12","CN[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O[CH](C)[C]2(O)CO)O[CH]3[CH](O)[CH](O)[CH](NC(N)=N)[CH](O)[CH]3NC(N)=N;CC1C(C(C(O1)OC2C(C(C(C(C2O)O)NC(=N)N)O)NC(=N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O","InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1","","2016-08-12","2018-01-12","1-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-3-carbamimidamido-4-[(2~{R},3~{R},4~{R},5~{S})-4-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine","2018-01-17"],["KFK","1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","C25 H29 F2 N5 O","Fc1c(F)c(c(cc1)c3ccc2c(c(nn2C)CN(C)C)c3)OCCc4c(C)nn(C)c4C;CN(C)Cc1nn(C)c2ccc(cc12)c3ccc(F)c(F)c3OCCc4c(C)nn(C)c4C;Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C","InChI=1S/C25H29F2N5O/c1-15-18(16(2)31(5)28-15)11-12-33-25-19(8-9-21(26)24(25)27)17-7-10-23-20(13-17)22(14-30(3)4)29-32(23)6/h7-10,13H,11-12,14H2,1-6H3","","2017-01-12","2018-02-09","1-(5-{3,4-difluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine","2018-02-14"],["71S","6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine","C22 H28 N6","n1c(N)cc(cc1CCc2cc(cnc2)C(Cc3nc(N)cc(c3)C)CN)C;Cc1cc(N)nc(CCc2cncc(c2)[CH](CN)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)C(Cc3cc(cc(n3)N)C)CN","InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m1/s1","","2014-03-15","2014-05-02","6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine","2014-05-07"],["KFL","6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide","C20 H36 N4 O3 S","CC1(C)CC(CC(C)(C)N1O)NC(=O)CCCCC[CH]2SC[CH]3NC(=O)N[CH]23;CC1(CC(CC(N1O)(C)C)NC(=O)CCCCCC2C3C(CS2)NC(=O)N3)C","InChI=1S/C20H36N4O3S/c1-19(2)10-13(11-20(3,4)24(19)27)21-16(25)9-7-5-6-8-15-17-14(12-28-15)22-18(26)23-17/h13-15,17,27H,5-12H2,1-4H3,(H,21,25)(H2,22,23,26)/t14-,15-,17-/m0/s1","","2022-05-25","2023-05-05","6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide","2023-05-10"],["71T","2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione","C23 H22 N2 O4 S2","c5c(N1CCN(CC1)C(c4sc2c(CS(c3c2cccc3)(=O)=O)c4)=O)ccc(OC)c5;COc1ccc(cc1)N2CCN(CC2)C(=O)c3sc4c(C[S](=O)(=O)c5ccccc45)c3;COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4","InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3","","2016-08-12","2016-10-21","2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione","2016-10-26"],["KFM","4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid)","C37 H31 N3 O9 S3","OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1;O[S](=O)(=O)c1ccc(Nc2ccc(cc2)C(c3ccc(Nc4ccc(cc4)[S](O)(=O)=O)cc3)c5ccc(Nc6ccc(cc6)[S](O)(=O)=O)cc5)cc1;c1cc(ccc1C(c2ccc(cc2)Nc3ccc(cc3)S(=O)(=O)O)c4ccc(cc4)Nc5ccc(cc5)S(=O)(=O)O)Nc6ccc(cc6)S(=O)(=O)O","InChI=1S/C37H31N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)","","2023-08-11","2024-10-11","4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid)","2024-10-16"],["71U","(2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide","C22 H33 Cl N4 O2","NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](N)CC3CCCCC3;c1cc(c(cc1Cl)CNC(=O)C2CCCN2C(=O)C(CC3CCCCC3)N)CN","InChI=1S/C22H33ClN4O2/c23-18-9-8-16(13-24)17(12-18)14-26-21(28)20-7-4-10-27(20)22(29)19(25)11-15-5-2-1-3-6-15/h8-9,12,15,19-20H,1-7,10-11,13-14,24-25H2,(H,26,28)/t19-,20+/m1/s1","","2016-08-13","2017-07-21","(2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide","2017-07-26"],["71V","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O7 P S","Nc1nc(S)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)nc(nc2S)N","InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1","6-Thio-GMP","2016-08-13","2021-03-01","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2016-08-23"],["KFN","2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid","C9 H14 O8","OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O;C1=C(OC(C(C1O)O)C(C(CO)O)O)C(=O)O","InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1","(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID","2010-11-26","2020-07-17","(4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid",""],["KFO","3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C20 H12 F4 N4 O2","FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1;Fc1cccc(c1)n2nccc2C3=NN(C=CC3=O)c4cccc(OC(F)(F)F)c4;c1cc(cc(c1)F)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F","InChI=1S/C20H12F4N4O2/c21-13-3-1-5-15(11-13)28-17(7-9-25-28)19-18(29)8-10-27(26-19)14-4-2-6-16(12-14)30-20(22,23)24/h1-12H","","2022-02-03","2022-10-07","3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2022-10-12"],["71W","(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol","C28 H34 O","OC1CCC2(C1CC(CCCCCC)=C2c3ccccc3)/C(c4ccccc4)=C;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26-,28-/m0/s1","","2016-08-15","2016-10-07","(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol","2016-10-12"],["KFP","N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine","C13 H19 N7 O3","O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2;N[CH](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O;c1c(nc2c(n1)N=C(NC2=O)N)CNCCCCC(C(=O)O)N","InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1","","2013-03-25","2024-09-27","N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine","2013-04-24"],["71X","~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","C20 H23 Cl N2 O3","CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23;CCc1c(c([nH]c1C(=O)NC2c3cc(ccc3CCC2O)Cl)C)C(=O)C","InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m1/s1","XDM207PS2T2","2016-08-13","2021-03-01","~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","2017-08-16"],["71Y","~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole\n-2-carboxamide","C20 H23 Cl N2 O3","CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23;CCc1c(c([nH]c1C(=O)NC2c3cc(ccc3CCC2O)Cl)C)C(=O)C","InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1","I-p300","2016-08-14","2020-06-17","~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","2017-08-16"],["KFQ","1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one","C9 H6 N4 O S","O=C3Nc1c(cccc1)n2c3nnc2S;Sc1nnc2n1c3ccccc3NC2=O;c1ccc-2c(c1)NC(=O)c3n2c(nn3)S","InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)","","2013-05-03","2013-10-04","1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one","2013-10-09"],["720","(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]PENTANOIC ACID","C12 H21 N3 O2","O=C(O)C(Cc1ncn(c1)CCC)CCCN;CCCn1cnc(C[CH](CCCN)C(O)=O)c1;CCCn1cc(nc1)CC(CCCN)C(=O)O","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","","2007-01-24","2011-06-04","(2S)-5-amino-2-[(1-propyl-1H-imidazol-4-yl)methyl]pentanoic acid",""],["KFR","methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-(4-oxidanylphenoxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate","C28 H36 N4 O7","COC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CC(C)C)NC(=O)[CH](O)[CH](N)COc3ccc(O)cc3;CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)OC)NC(=O)C(C(COc3ccc(cc3)O)N)O","InChI=1S/C28H36N4O7/c1-16(2)12-23(31-27(36)25(34)21(29)15-39-19-10-8-18(33)9-11-19)26(35)32-24(28(37)38-3)13-17-14-30-22-7-5-4-6-20(17)22/h4-11,14,16,21,23-25,30,33-34H,12-13,15,29H2,1-3H3,(H,31,36)(H,32,35)/t21-,23+,24+,25+/m1/s1","(2S-3R)-3-Amino-2-Hydroxybutyryl derivative","2022-05-25","2022-08-22","methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2-oxidanyl-4-(4-oxidanylphenoxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1~{H}-indol-3-yl)propanoate","2022-07-20"],["721","3-butoxy-1-(2,2-diphosphonoethyl)pyridinium","C11 H20 N O7 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCC)c1;CCCCOc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C11H19NO7P2/c1-2-3-7-19-10-5-4-6-12(8-10)9-11(20(13,14)15)21(16,17)18/h4-6,8,11H,2-3,7,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1","","2008-07-30","2011-06-04","3-butoxy-1-(2,2-diphosphonoethyl)pyridinium",""],["KFS","[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid","C16 H13 N O3","c2c(Oc1cc(c(cc1)C#N)C)ccc(CC(O)=O)c2;Cc1cc(Oc2ccc(CC(O)=O)cc2)ccc1C#N;Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O","InChI=1S/C16H13NO3/c1-11-8-15(7-4-13(11)10-17)20-14-5-2-12(3-6-14)9-16(18)19/h2-8H,9H2,1H3,(H,18,19)","","2018-12-03","2020-06-19","[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid","2020-06-24"],["722","1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium","C14 H26 N O7 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCC)c1;CCCCCCCOc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C14H25NO7P2/c1-2-3-4-5-6-10-22-13-8-7-9-15(11-13)12-14(23(16,17)18)24(19,20)21/h7-9,11,14H,2-6,10,12H2,1H3,(H3-,16,17,18,19,20,21)/p+1","","2008-09-12","2011-06-04","1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium",""],["KFT","(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide","C11 H22 N2 O4","CCCCCNC(=O)[CH]1N[CH](CO)[CH](O)[CH]1O;CCCCCNC(=O)C1C(C(C(N1)CO)O)O","InChI=1S/C11H22N2O4/c1-2-3-4-5-12-11(17)8-10(16)9(15)7(6-14)13-8/h7-10,13-16H,2-6H2,1H3,(H,12,17)/t7-,8+,9+,10-/m1/s1","","2019-05-20","2020-07-03","(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide","2020-07-08"],["KFU","(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide","C18 H13 Cl N2 O2","Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21;Clc1ccc2OC[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)Cl","InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1","","2023-08-11","2023-11-03","(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide","2023-11-08"],["723","(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid","C17 H12 Cl N O3","OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O;c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O","InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)","","2010-02-19","2011-06-04","2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethanoic acid",""],["724","(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione","C13 H14 N4 O4","COc1ccc2NN(C[C]3(C)NC(=O)NC3=O)C(=O)c2c1;CC1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC","InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)/t13-/m1/s1","5-[(1,3-DIHYDRO-5-METHOXY-3-OXO-2H-INDAZOL-2-YL)METHYL]-5-METHYL-2,4-IMIDAZOLIDINEDIONE","2009-12-14","2021-03-13","(5R)-5-[(5-methoxy-3-oxo-1H-indazol-2-yl)methyl]-5-methyl-imidazolidine-2,4-dione",""],["KFV","[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium","C24 H38 N8 O19 P3 S","n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(OP(OCC(C(C(=O)NCCC(=O)NCCSC(C(=[N+]([O-])[O-])C)=O)O)(C)C)(=O)O)(O)=O)OP(O)(O)=O;CC(C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)=[N+]([O-])[O-];CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H38N8O19P3S/c1-12(32(38)39)23(37)55-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H8-,25,26,27,28,29,33,36,37,38,39,40,41,42,43,44,45,46)/q-1/t13-,16-,17-,18+,22-/m1/s1","","2018-12-03","2019-04-05","[(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name)","2019-04-10"],["725","6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one","C19 H26 N6 O5","CNc1[nH]c2c(CC[CH]3O[CH](OC)[CH](OC)[CH]3OC)c4N=C(N)NC(=O)c4cc2n1;CNc1[nH]c2c(n1)cc3c(c2CCC4C(C(C(O4)OC)OC)OC)N=C(NC3=O)N","InChI=1S/C19H26N6O5/c1-21-19-22-10-7-9-12(23-18(20)25-16(9)26)8(13(10)24-19)5-6-11-14(27-2)15(28-3)17(29-4)30-11/h7,11,14-15,17H,5-6H2,1-4H3,(H2,21,22,24)(H3,20,23,25,26)/t11-,14-,15-,17-/m1/s1","","2016-08-15","2017-08-25","6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{R},5~{R})-3,4,5-trimethoxyoxolan-2-yl]ethyl]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one","2017-08-30"],["KFW","(2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol","C6 H13 N O2","OC[CH]1NCCC[CH]1O;C1CC(C(NC1)CO)O","InChI=1S/C6H13NO2/c8-4-5-6(9)2-1-3-7-5/h5-9H,1-4H2/t5-,6+/m0/s1","","2019-05-21","2020-07-03","(2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol","2020-07-08"],["726","6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one","C21 H30 N6 O6","CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](OC)[CH](OC)[CH]4OC)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCC4C(C(C(C(O4)OC)OC)OC)OC)N=C(NC3=O)N","InChI=1S/C21H30N6O6/c1-23-21-24-11-8-10-13(25-20(22)27-18(10)28)9(14(11)26-21)6-7-12-15(29-2)16(30-3)17(31-4)19(32-5)33-12/h8,12,15-17,19H,6-7H2,1-5H3,(H2,23,24,26)(H3,22,25,27,28)/t12-,15-,16+,17-,19+/m1/s1","","2016-08-15","2017-08-25","6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one","2017-08-30"],["KFX","N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine","C17 H18 N8","Cn1nc(nc1NCc1nc2c(C)ncc(C)n2n1)c1ccccc1;Cn1nc(nc1NCc2nn3c(C)cnc(C)c3n2)c4ccccc4;Cc1cnc(c2n1nc(n2)CNc3nc(nn3C)c4ccccc4)C","InChI=1S/C17H18N8/c1-11-9-18-12(2)16-20-14(22-25(11)16)10-19-17-21-15(23-24(17)3)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,19,21,23)","","2022-02-03","2022-10-07","N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine","2022-10-12"],["KFY","9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine","C19 H23 N5 O3","c12ncnc(c1nc(n2CC=CC)Cc3cc(OC)c(OC)c(c3)OC)N;COc1cc(Cc2nc3c(N)ncnc3n2CC=CC)cc(OC)c1OC;CC=CCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+","","2018-12-03","2019-06-28","9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine","2019-07-03"],["727","(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione","C18 H16 N4 O4","COc1ccc2NN(C[C]3(NC(=O)NC3=O)c4ccccc4)C(=O)c2c1;COc1ccc2c(c1)C(=O)N(N2)CC3(C(=O)NC(=O)N3)c4ccccc4","InChI=1S/C18H16N4O4/c1-26-12-7-8-14-13(9-12)15(23)22(21-14)10-18(11-5-3-2-4-6-11)16(24)19-17(25)20-18/h2-9,21H,10H2,1H3,(H2,19,20,24,25)/t18-/m0/s1","","2010-01-15","2011-06-04","(5R)-5-[(5-methoxy-3-oxo-1H-indazol-2-yl)methyl]-5-phenyl-imidazolidine-2,4-dione",""],["KFZ","2-{[(2,5-DICHLOROPHENYL)METHYL]SULFANYL}-5-ETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL","C14 H12 Cl2 N4 O S","Clc1cc(c(Cl)cc1)CSc2nc3nc(cc(O)n3n2)CC;CCc1cc(O)n2nc(SCc3cc(Cl)ccc3Cl)nc2n1;CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O","InChI=1S/C14H12Cl2N4OS/c1-2-10-6-12(21)20-13(17-10)18-14(19-20)22-7-8-5-9(15)3-4-11(8)16/h3-6,21H,2,7H2,1H3","","2011-08-02","2014-09-05","2-[(2,5-dichlorobenzyl)sulfanyl]-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol",""],["728","1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea","C20 H23 Br N4 O2","O=C(N2C(c1c(Br)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3;Nc1ccc(CNC(=O)NCC(=O)N2CCC[CH]2c3ccccc3Br)cc1;c1ccc(c(c1)C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br","InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)/t18-/m1/s1","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea","2014-02-19"],["KG0","(4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide","C20 H27 N3 O5 S","CCC[CH](NC(=O)[C]1(C)CSC(=N1)C(C)=NO)C2=CC(=CC(=O)O2)OCC3CC3;CCCC(C1=CC(=CC(=O)O1)OCC2CC2)NC(=O)C3(CSC(=N3)C(=NO)C)C","InChI=1S/C20H27N3O5S/c1-4-5-15(16-8-14(9-17(24)28-16)27-10-13-6-7-13)21-19(25)20(3)11-29-18(22-20)12(2)23-26/h8-9,13,15,26H,4-7,10-11H2,1-3H3,(H,21,25)/b23-12+/t15-,20+/m1/s1","","2022-05-25","2023-11-24","(4~{R})-~{N}-[(1~{R})-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(~{E})-~{C}-methyl-~{N}-oxidanyl-carbonimidoyl]-5~{H}-1,3-thiazole-4-carboxamide","2023-11-29"],["729","N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C31 H38 N8 O3","c4(c(cc(c3nnc(NC(c2ccc(CN1CCN(CC1)C)cc2)=O)c3)cc4)C)NC(Nc5noc(c5)C(C)(C)C)=O;CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3[nH]nc(c3)c4ccc(NC(=O)Nc5cc(on5)C(C)(C)C)c(C)c4;Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)","","2016-03-24","2016-05-13","N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2016-05-18"],["KG1","propadienyl 6-deoxy-alpha-L-galactopyranoside","C9 H14 O5","C[CH]1O[CH](OCC#C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCC#C)O)O)O","InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h1,5-12H,4H2,2H3/t5-,6+,7+,8-,9+/m0/s1","propargyl-fucoside; propadienyl 6-deoxy-alpha-L-galactoside; propadienyl 6-deoxy-L-galactoside; propadienyl 6-deoxy-galactoside","2017-12-04","2025-12-03","(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-prop-2-ynoxy-oxane-3,4,5-triol","2018-01-31"],["72B","[(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium","C27 H29 F N5 O3 Ru S4","O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(OC)ccc4n5[Ru]798(NCS)S6CCS8CC(NC)CS7CC6;CNC1CS2|[Ru]|34(|NCS)(|S(CC2)CCS|3C1)|n5cc(F)cc6c5c7n4c8ccc(OC)cc8c7c9C(=O)NC(=O)c69;CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS","InChI=1S/C18H10FN3O3.C8H17NS3.CH4NS.Ru/c1-25-8-2-3-11-9(5-8)12-14-13(17(23)22-18(14)24)10-4-7(19)6-20-15(10)16(12)21-11;1-9-8-6-11-4-2-10-3-5-12-7-8;2-1-3;/h2-6H,1H3,(H2,20,21,22,23,24);8-9H,2-7H2,1H3;2-3H,1H2;/q;;-1;+2/p-1","(3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(N-methyl-1,4,7-trithiacyclodecan-9-amine)ruthenium(II)-isothiocyanate; FL772","2014-12-21","2020-05-26","[(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium","2015-01-21"],["KG2","[(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate","C22 H26 N O3","C[N+]12CCC(CC1)[CH](C2)OC(=O)C(O)(c3ccccc3)c4ccccc4;C[N+]12CCC(CC1)C(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O","InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20-,23+/m1/s1","","2022-09-18","2023-07-21","[(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate","2023-07-26"],["72C","4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one","C20 H26 N6 O5","CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH]5OC(C)(C)O[CH]45)c2n1)N;CC1(OC2C(OC(C2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C","InChI=1S/C20H26N6O5/c1-20(2)30-14-11(29-17(28-4)15(14)31-20)6-5-8-12-9(16(27)26-18(21)24-12)7-10-13(8)25-19(22-3)23-10/h7,11,14-15,17H,5-6H2,1-4H3,(H2,22,23,25)(H3,21,24,26,27)/t11-,14-,15-,17-/m1/s1","","2016-08-15","2017-08-25","4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one","2017-08-30"],["KG3","6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H22 N6 O2","O=C(Nc1ccccc1CC(=O)NC)c1nc(ccc1Nc1cncnc1)C1CC1;CNC(=O)Cc1ccccc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;CNC(=O)Cc1ccccc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C22H22N6O2/c1-23-20(29)10-15-4-2-3-5-17(15)28-22(30)21-19(26-16-11-24-13-25-12-16)9-8-18(27-21)14-6-7-14/h2-5,8-9,11-14,26H,6-7,10H2,1H3,(H,23,29)(H,28,30)","","2022-02-03","2022-10-07","6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["72D","4-(phenyl)-benzenesulfonamide","C12 H11 N O2 S","c1cc(S(=O)(=O)N)ccc1c2ccccc2;N[S](=O)(=O)c1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)","[1,1'-biphenyl]-4-sulfonamide","2016-08-15","2021-03-13","[1,1'-biphenyl]-4-sulfonamide","2016-12-21"],["KG4","5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine","C11 H14 N5 O9 P","OP(OCC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)(OC(O)=O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)O)O)O)N","InChI=1S/C11H14N5O9P/c12-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-26(21,22)25-11(19)20/h2-4,6-7,10,17-18H,1H2,(H,19,20)(H,21,22)(H2,12,13,14)/t4-,6-,7-,10-/m1/s1","","2018-12-03","2019-05-17","5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine","2019-05-22"],["72E","4-(2-methylphenyl)-benzenesulfonamide","C13 H13 N O2 S","Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2;Cc1ccccc1c2ccc(cc2)[S](N)(=O)=O;Cc1ccccc1c2ccc(cc2)S(=O)(=O)N","InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)","2'-methyl[1,1'-biphenyl]-4-sulfonamide","2016-08-15","2020-06-17","2'-methyl[1,1'-biphenyl]-4-sulfonamide","2016-12-21"],["72F","N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide","C31 H27 F3 N6 O3","c4(C#Cc1c(ccc(c1)NC(=O)c2cccc(c2)C(F)(F)F)C)c3cncnc3n(CCOC)c4CC(C#N)C(=O)NC;CNC(=O)[CH](Cc1n(CCOC)c2ncncc2c1C#Cc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)C#N;Cc1ccc(cc1C#Cc2c3cncnc3n(c2CC(C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C31H27F3N6O3/c1-19-7-9-24(39-30(42)21-5-4-6-23(13-21)31(32,33)34)14-20(19)8-10-25-26-17-37-18-38-28(26)40(11-12-43-3)27(25)15-22(16-35)29(41)36-2/h4-7,9,13-14,17-18,22H,11-12,15H2,1-3H3,(H,36,41)(H,39,42)/t22-/m0/s1","N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor, bound form","2016-08-15","2024-09-27","N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide","2017-08-16"],["KG5","(2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","C27 H37 N O7","OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCOCc2ccc(cc2)c3ccc4OCCCOc4c3;c1cc(ccc1COCCCCCN2CC(C(C(C2CO)O)O)O)c3ccc4c(c3)OCCCO4","InChI=1S/C27H37NO7/c29-17-22-26(31)27(32)23(30)16-28(22)11-2-1-3-12-33-18-19-5-7-20(8-6-19)21-9-10-24-25(15-21)35-14-4-13-34-24/h5-10,15,22-23,26-27,29-32H,1-4,11-14,16-18H2/t22-,23+,26-,27-/m1/s1","","2019-05-21","2020-07-03","(2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","2020-07-08"],["72G","4-(3-formylphenyl)-benzenesulfonamide","C13 H11 N O3 S","O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2;N[S](=O)(=O)c1ccc(cc1)c2cccc(C=O)c2;c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O","InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)","3'-formyl[1,1'-biphenyl]-4-sulfonamide","2016-08-15","2020-06-17","3'-formyl[1,1'-biphenyl]-4-sulfonamide","2016-12-21"],["KG6","3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid","C28 H35 N13 O9","NCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)CC(O)=O)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCN)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)CC(=O)O)O)O)N)O)O)N","InChI=1S/C28H35N13O9/c29-3-5-39(8-13-20(46)21(47)27(50-13)40-11-37-17-23(30)33-9-35-25(17)40)4-1-2-14-38-18-24(31)34-10-36-26(18)41(14)28-22(48)19(45)12(49-28)7-32-15(42)6-16(43)44/h9-13,19-22,27-28,45-48H,3-8,29H2,(H,32,42)(H,43,44)(H2,30,33,35)(H2,31,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1","","2022-05-25","2023-01-06","3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid","2023-01-11"],["72H","4-(3-quinolinyl)-benzenesulfonamide","C15 H12 N2 O2 S","c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3;N[S](=O)(=O)c1ccc(cc1)c2cnc3ccccc3c2;c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)","4-(quinolin-3-yl)benzene-1-sulfonamide","2016-08-15","2020-06-17","4-(quinolin-3-yl)benzene-1-sulfonamide","2016-12-21"],["KG7","(2E)-2-(hydroxyimino)propanoic acid","C3 H5 N O3","O=C(O)C(=NO)C;CC(=NO)C(O)=O;CC(=NO)C(=O)O","InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+","","2018-12-03","2019-04-05","(2E)-2-(hydroxyimino)propanoic acid","2019-04-10"],["KG8","(5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol","C17 H22 N2 O4","OC[CH]1[CH](O)[CH](O)[CH](O)c2nc(CCCc3ccccc3)cn12;c1ccc(cc1)CCCc2cn3c(n2)C(C(C(C3CO)O)O)O","InChI=1S/C17H22N2O4/c20-10-13-14(21)15(22)16(23)17-18-12(9-19(13)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,13-16,20-23H,4,7-8,10H2/t13-,14-,15+,16-/m1/s1","","2019-05-21","2020-07-03","(5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol","2020-07-08"],["72I","tetraiodomercurate(2-)","Hg I4","I[Hg--](I)(I)I;I[Hg-2](I)(I)I","InChI=1S/Hg.4HI/h;4*1H/q+2;;;;/p-4","","2022-02-18","2022-04-01","tetrakis(iodanyl)mercury(2-)","2022-04-06"],["72J","7-(N-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-dATP","C26 H44 N5 O14 P3","Nc1ncnc2n(cc(C=CCCCNC(=O)CCCCCCCCCO)c12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1c(c2c(ncnc2n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C=CCCCNC(=O)CCCCCCCCCO","InChI=1S/C26H44N5O14P3/c27-25-24-19(11-7-6-9-13-28-22(34)12-8-4-2-1-3-5-10-14-32)16-31(26(24)30-18-29-25)23-15-20(33)21(43-23)17-42-47(38,39)45-48(40,41)44-46(35,36)37/h7,11,16,18,20-21,23,32-33H,1-6,8-10,12-15,17H2,(H,28,34)(H,38,39)(H,40,41)(H2,27,29,30)(H2,35,36,37)/b11-7+/t20-,21+,23+/m0/s1","","2016-08-16","2016-12-09","[[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[(~{E})-5-(10-oxidanyldecanoylamino)pent-1-enyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2016-12-14"],["KG9","(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H21 Cl N4 O3 S","N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)CC5(CC5)C#N;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N","InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1","","2023-08-11","2023-11-03","(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["72K","4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide","C30 H29 N5 O2","Cc1nn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4cccc(c5cnc6ccccc6c5)c14;Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5","InChI=1S/C30H29N5O2/c1-18-29-24(20-15-19-5-2-3-7-26(19)32-17-20)6-4-8-28(29)35(34-18)22-11-14-25(30(31)37)27(16-22)33-21-9-12-23(36)13-10-21/h2-8,11,14-17,21,23,33,36H,9-10,12-13H2,1H3,(H2,31,37)/t21-,23-","","2016-08-16","2017-08-18","4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide","2017-08-23"],["KGA","[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium","C24 H38 N8 O20 P3","n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(O)(=O)OP(OCC(C)(C(C(=O)NCCC(=O)NCCOC(C(=[N+]([O-])[O-])C)=O)O)C)(=O)O)OP(=O)(O)O;CC(C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)=[N+]([O-])[O-];CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H38N8O20P3/c1-12(32(38)39)23(37)47-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-49-55(45,46)52-54(43,44)48-8-13-17(51-53(40,41)42)16(34)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H8-,25,26,27,28,29,33,36,37,38,39,40,41,42,43,44,45,46)/q-1/t13-,16-,17-,18+,22-/m1/s1","2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl 2-nitropropanoate","2018-12-03","2021-03-13","[(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name)","2019-04-10"],["KGB","(2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol","C15 H23 N O5","OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCOCc2ccccc2;c1ccc(cc1)COCCN2CC(C(C(C2CO)O)O)O","InChI=1S/C15H23NO5/c17-9-12-14(19)15(20)13(18)8-16(12)6-7-21-10-11-4-2-1-3-5-11/h1-5,12-15,17-20H,6-10H2/t12-,13?,14-,15+/m0/s1","","2019-05-21","2020-07-03","(2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol","2020-07-08"],["72L","4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide","C23 H18 N6 O2 S","N[S](=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(n2)c4cccc(c4)c5ccccc5)cc1;c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N","InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)","","2016-08-17","2017-01-06","4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide","2017-01-11"],["KGC","N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-2-YL]-L-LYSINE","C11 H18 N2 O6","O=C(O)C1(OC(=O)CC1)NCCCCC(C(=O)O)N;N[CH](CCCCN[C]1(CCC(=O)O1)C(O)=O)C(O)=O;C1CC(OC1=O)(C(=O)O)NCCCCC(C(=O)O)N","InChI=1S/C11H18N2O6/c12-7(9(15)16)3-1-2-6-13-11(10(17)18)5-4-8(14)19-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11+/m0/s1","","2007-01-15","2024-09-27","N~6~-[(2R)-2-carboxy-5-oxotetrahydrofuran-2-yl]-L-lysine",""],["72M","~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide","C27 H28 N6 O6","Cc1ccc(Cc2cc(O)c(O)c(c2)C(=O)NCC=C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc1;Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NCC=CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C27H28N6O6/c1-14-4-6-15(7-5-14)9-16-10-17(21(35)18(34)11-16)26(38)29-8-2-3-19-22(36)23(37)27(39-19)33-13-32-20-24(28)30-12-31-25(20)33/h2-7,10-13,19,22-23,27,34-37H,8-9H2,1H3,(H,29,38)(H2,28,30,31)/b3-2+/t19-,22-,23-,27-/m1/s1","","2016-08-17","2016-08-24","~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide","2016-08-31"],["72N","3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole","C12 H13 N3","Cc1nnc(C2CC2)n1c3ccccc3;Cc1nnc(n1c2ccccc2)C3CC3","InChI=1S/C12H13N3/c1-9-13-14-12(10-7-8-10)15(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3","","2016-08-17","2016-09-23","3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole","2016-09-28"],["KGD","beta,psi-caroten-4-one","C40 H54 O","C1(C)(CCC(C(=C1C=[C@H]C(=[C@H]C=[C@H]C(=[C@H]C=[C@H]C=C(/C)C=[C@H]/C=C(/C=[C@H]/C=C(/CCC=C(C)C)C)C)C)C)C)=O)C;CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C;CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C","InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-12,14-19,21-28H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+","Keto-gamma-carotene","2018-02-02","2021-03-01","beta,psi-caroten-4-one","2018-05-02"],["KGE","(2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol","C6 H11 N O2","OC[CH]1NCC=C[CH]1O;C1C=CC(C(N1)CO)O","InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6+/m0/s1","","2019-05-21","2020-07-03","(2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol","2020-07-08"],["72O","2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole","C14 H12 Cl N3 O S","Cc1nc(COc2cccc(Cl)c2)sc1c3[nH]ncc3;Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3","InChI=1S/C14H12ClN3OS/c1-9-14(12-5-6-16-18-12)20-13(17-9)8-19-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,18)","","2016-08-17","2016-09-30","2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole","2016-10-05"],["72P","3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid","C22 H16 Cl N O2 S","Cc1n(c2ccccc2)c3cc(Cl)ccc3c1Sc4cccc(c4)C(O)=O;Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O","InChI=1S/C22H16ClNO2S/c1-14-21(27-18-9-5-6-15(12-18)22(25)26)19-11-10-16(23)13-20(19)24(14)17-7-3-2-4-8-17/h2-13H,1H3,(H,25,26)","","2016-08-17","2016-12-22","3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid","2016-12-28"],["KGG","(3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine","C23 H23 N3 O2","O(c1ccc(cc1)C2(N=C(N)C(OC)C2)c3cc(ccc3)c4cccnc4)C;CO[CH]1C[C](N=C1N)(c2ccc(OC)cc2)c3cccc(c3)c4cccnc4;COc1ccc(cc1)C2(CC(C(=N2)N)OC)c3cccc(c3)c4cccnc4","InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26)/t21-,23-/m1/s1","","2012-08-16","2014-09-05","(2R,4R)-4-methoxy-2-(4-methoxyphenyl)-2-[3-(pyridin-3-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine","2013-06-26"],["KGH","(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C7 H15 N O5","N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;C(C1C(C(C(C(C1O)O)O)O)N)O","InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1","","2019-05-21","2024-09-27","(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2020-07-08"],["72Q","3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile","C17 H12 F3 N O4 S","N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O;C[S](=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3[CH](F)[CH](F)[CH](O)c13;CS(=O)(=O)c1ccc(c2c1C(C(C2F)F)O)Oc3cc(cc(c3)F)C#N","InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1","Belzutifan","2016-08-17","2022-09-28","3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile","2016-08-31"],["72R","5-fluoranyl-1~{H}-indole-2,3-dione","C8 H4 F N O2","Fc1ccc2NC(=O)C(=O)c2c1;c1cc2c(cc1F)C(=O)C(=O)N2","InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)","","2016-08-18","2024-09-27","5-fluoranyl-1~{H}-indole-2,3-dione","2018-08-29"],["KGI","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","C27 H33 N13 O9","NCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)CC(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)CN)O)O)N)CC(=O)O)O)O)N","InChI=1S/C27H33N13O9/c28-4-14(41)31-5-11-18(44)21(47)27(48-11)40-13(37-17-23(30)33-9-35-25(17)40)2-1-3-38(7-15(42)43)6-12-19(45)20(46)26(49-12)39-10-36-16-22(29)32-8-34-24(16)39/h8-12,18-21,26-27,44-47H,3-7,28H2,(H,31,41)(H,42,43)(H2,29,32,34)(H2,30,33,35)/t11-,12-,18-,19-,20-,21-,26-,27-/m1/s1","","2022-05-25","2023-01-06","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","2023-01-11"],["KGJ","[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium","C24 H39 N9 O19 P3","n1c(c2c(nc1)n(cn2)C3OC(C(C3O)OP(=O)(O)O)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)/C(C)=[N+]([O-])[O-])(O)=O)(O)=O)N;CC(C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)=[N+]([O-])[O-];CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H39N9O19P3/c1-12(33(39)40)21(37)28-7-6-26-14(34)4-5-27-22(38)18(36)24(2,3)9-49-55(46,47)52-54(44,45)48-8-13-17(51-53(41,42)43)16(35)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-11,13,16-18,23,35-36H,4-9H2,1-3H3,(H9-,25,26,27,28,29,30,34,37,38,39,40,41,42,43,44,45,46,47)/q-1/t13-,16-,17-,18+,23-/m1/s1","","2018-12-03","2019-04-05","[(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name)","2019-04-10"],["72S","7-methyl-1~{H}-indole-2,3-dione","C9 H7 N O2","Cc1cccc2C(=O)C(=O)Nc12;Cc1cccc2c1NC(=O)C2=O","InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)","","2016-08-18","2024-09-27","7-methyl-1~{H}-indole-2,3-dione","2018-08-29"],["KGK","2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide","C7 H5 F4 N O2 S","Cc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O;Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F","InChI=1S/C7H5F4NO2S/c1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9/h1H3,(H2,12,13,14)","","2019-05-21","2020-04-10","2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide","2020-04-15"],["72T","7-(trifluoromethyl)-1~{H}-indole-2,3-dione","C9 H4 F3 N O2","FC(F)(F)c1cccc2C(=O)C(=O)Nc12;c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O","InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)","","2016-08-18","2024-09-27","7-(trifluoromethyl)-1~{H}-indole-2,3-dione","2018-08-29"],["72U","methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate","C10 H7 N O4","COC(=O)c1cccc2C(=O)C(=O)Nc12;COC(=O)c1cccc2c1NC(=O)C2=O","InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13)","","2016-08-18","2024-09-27","methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate","2018-08-29"],["KGL","(1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione","C30 H25 F3 N6 O2","FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4;c1cc2c3cc1CCN4C(=O)C=CC(=N4)c5ccc(c(c5)C(F)(F)F)C(=O)NCCCCn6cc(cn6)-c(c3)cn2","InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)","","2022-09-20","2022-11-18","","2022-11-23"],["KGM","heptyl alpha-D-mannopyranoside","C13 H26 O6","O(CCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1","Heptyl Alpha-D-mannopyrannoside; heptyl alpha-D-mannoside; heptyl D-mannoside; heptyl mannoside","2013-06-23","2020-07-17","heptyl alpha-D-mannopyranoside","2014-02-12"],["72V","1-methylindole-2,3-dione","C9 H7 N O2","CN1C(=O)C(=O)c2ccccc12;CN1c2ccccc2C(=O)C1=O","InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3","","2016-08-18","2024-09-27","1-methylindole-2,3-dione","2017-03-15"],["KGN","D-chiro inositol hexakisphosphate","C6 H18 O24 P6","O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6+/m0/s1","","2018-01-30","2018-09-07","(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate","2018-09-12"],["72W","~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide","C27 H26 F N5 O6","CCc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O;CCc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O","InChI=1S/C27H26FN5O6/c1-2-18-21-25(31-12-30-18)33(13-32-21)27-24(37)23(36)20(39-27)4-3-9-29-26(38)17-10-15(11-19(34)22(17)35)14-5-7-16(28)8-6-14/h3-8,10-13,20,23-24,27,34-37H,2,9H2,1H3,(H,29,38)/b4-3+/t20-,23-,24-,27-/m1/s1","","2016-08-18","2016-09-30","~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide","2016-10-05"],["KGO","N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","C19 H21 N9 O3","CNC(=O)c1n(C)ncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CCOC1;CNC(=O)c1n(C)ncc1NC(=O)c2nc(cnc2Nc3cncnc3)[CH]4CCOC4;CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)C3CCOC3)Nc4cncnc4","InChI=1S/C19H21N9O3/c1-20-19(30)16-14(8-24-28(16)2)27-18(29)15-17(25-12-5-21-10-22-6-12)23-7-13(26-15)11-3-4-31-9-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,30)(H,23,25)(H,27,29)","","2022-02-03","2022-10-07","N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","2022-10-12"],["72X","(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide","C28 H46 Cl N3 O3","O=C(NC(CC1CCCCC1)CNC)N3CCCC(C(O)(c2cccc(Cl)c2)CCCCOC)C3;CNC[CH](CC1CCCCC1)NC(=O)N2CCC[CH](C2)[C](O)(CCCCOC)c3cccc(Cl)c3;CNCC(CC1CCCCC1)NC(=O)N2CCCC(C2)C(CCCCOC)(c3cccc(c3)Cl)O","InChI=1S/C28H46ClN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1","","2009-04-01","2011-06-04","(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide",""],["KGP","(2R)-sulfonatepropionyl-amino(dethia)-CoA","C24 H41 N8 O20 P3 S","O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCNC(=O)C(C)S(O)(=O)=O)=O)(=O)O)(O)O;C[CH](C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[S](O)(=O)=O;CC(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O","InChI=1S/C24H41N8O20P3S/c1-12(56(45,46)47)21(36)28-7-6-26-14(33)4-5-27-22(37)18(35)24(2,3)9-49-55(43,44)52-54(41,42)48-8-13-17(51-53(38,39)40)16(34)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-13,16-18,23,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,37)(H,28,36)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)(H,45,46,47)/t12-,13-,16-,17-,18+,23-/m1/s1","(2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propane-2-sulfonic acid","2018-12-03","2021-03-13","(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)","2019-04-10"],["72Y","4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine","C14 H13 Cl2 N5","Cc1cnc(Cn2ccc3c(Cl)nc(N)nc23)c(C)c1Cl;Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N","InChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20)","","2016-08-18","2017-08-18","4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine","2017-08-23"],["KGQ","DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE","C33 H49 N2 O12 P S","O=P(OCC)(OCC)COc1ccc(cc1)CC(NC(=O)OC2COC3OCCC23)C(O)CN(CC(C)C)S(=O)(=O)c4ccc(OC)cc4;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)cc1)OCC;CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)OC3COC4C3CCO4)OCC","InChI=1S/C33H49N2O12PS/c1-6-45-48(38,46-7-2)22-44-26-10-8-24(9-11-26)18-29(34-33(37)47-31-21-43-32-28(31)16-17-42-32)30(36)20-35(19-23(3)4)49(39,40)27-14-12-25(41-5)13-15-27/h8-15,23,28-32,36H,6-7,16-22H2,1-5H3,(H,34,37)/t28-,29-,30+,31-,32+/m0/s1","","2006-08-24","2011-06-04","diethyl ({4-[(2S,3R)-2-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl]phenoxy}methyl)phosphonate",""],["730","(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE","C28 H35 N7 O3 S","O=C(N1CCC(CCNC(=[N@H])N)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4;NC(=N)NCC[CH]1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3;[H]N=C(c1cccc(c1)CC(C(=O)N2CCC(CC2)CCNC(=N[H])N)NS(=O)(=O)c3ccc4ccccc4c3)N","InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1","","2006-05-03","2011-06-04","3-{(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide",""],["KGR","5-KETO-4-DEOXYGLUCARATE","C6 H6 O7","O=C([O-])C(O)C(O)CC(=O)C([O-])=O;O[CH](CC(=O)C([O-])=O)[CH](O)C([O-])=O;C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-]","InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1/fC6H6O7/q-2","","2001-06-26","2008-10-14","(2R,3S)-2,3-dihydroxy-5-oxohexanedioate (non-preferred name)",""],["731","[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{H}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone","C19 H21 N5 O S","Cc1sc(c(C)n1)c2[nH]nc(c2)C(=O)N3CCN(CC3)c4ccccc4;Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4","InChI=1S/C19H21N5OS/c1-13-18(26-14(2)20-13)16-12-17(22-21-16)19(25)24-10-8-23(9-11-24)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22)","","2016-08-18","2016-08-24","[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{H}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone","2016-08-31"],["KGT","N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine","C10 H14 N2 O7 S","O=C(NCC(=O)O)C(NC(=O)CCC(=O)C(=O)O)CS;OC(=O)CNC(=O)[CH](CS)NC(=O)CCC(=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)C(=O)O","InChI=1S/C10H14N2O7S/c13-6(10(18)19)1-2-7(14)12-5(4-20)9(17)11-3-8(15)16/h5,20H,1-4H2,(H,11,17)(H,12,14)(H,15,16)(H,18,19)/t5-/m0/s1","","2012-10-18","2013-07-26","N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine","2013-07-31"],["732","5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide","C20 H23 Cl N2 O3","O=C(c2oc(c1ccc(Cl)cc1)cc2)NC(C(=O)NC)C3CCCCC3;CNC(=O)[CH](NC(=O)c1oc(cc1)c2ccc(Cl)cc2)C3CCCCC3;CNC(=O)C(C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl","InChI=1S/C20H23ClN2O3/c1-22-20(25)18(14-5-3-2-4-6-14)23-19(24)17-12-11-16(26-17)13-7-9-15(21)10-8-13/h7-12,14,18H,2-6H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1","","2009-07-13","2011-06-04","5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide",""],["KGU","~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide","C24 H36 N6 O3","CCN1C(=O)C(=O)N(CC)c2cc(N3CCCCC3)c(NC(=O)CN4CCN(C)CC4)cc12;CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C","InChI=1S/C24H36N6O3/c1-4-29-20-15-18(25-22(31)17-27-13-11-26(3)12-14-27)19(28-9-7-6-8-10-28)16-21(20)30(5-2)24(33)23(29)32/h15-16H,4-14,17H2,1-3H3,(H,25,31)","","2017-01-20","2018-02-09","~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide","2018-02-14"],["733","6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide","C18 H13 Cl3 F N3 O","Clc1ccc(Cl)c(Cl)c1CNc2c3cc(F)cc(C(=O)N)c3nc(c2)C;Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c3cc(F)cc(C(N)=O)c3n1;Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl","InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25)","","2015-01-17","2015-08-21","6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide","2015-08-26"],["734","5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol","C19 H14 Cl N3 O2","Clc1cc(c(O)c2ncccc12)C(Nc3ncccc3)c4occc4;Oc1c(cc(Cl)c2cccnc12)[CH](Nc3ccccn3)c4occc4;c1ccnc(c1)NC(c2ccco2)c3cc(c4cccnc4c3O)Cl","InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m1/s1","","2010-07-15","2012-05-04","5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol",""],["KGV","3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)","C19 H24 N7 O7 P","c1nc2c(c(n1)N)ncn2C4C(C(NC(=O)C(Cc3ccccc3)N)C(O4)COP(O)(O)=O)O;N[CH](Cc1ccccc1)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34;c1ccc(cc1)CC(C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N","InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12-,13-,15-,19-/m1/s1","","2018-12-04","2018-12-07","3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)","2018-12-12"],["735","2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID","C23 H21 F3 N2 O4 S","O=C(O)C(Oc1ccc(cc1)CNC(=O)c2sc(nc2C)c3ccc(cc3)C(F)(F)F)(C)C;Cc1nc(sc1C(=O)NCc2ccc(OC(C)(C)C(O)=O)cc2)c3ccc(cc3)C(F)(F)F;Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O","InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)","","2007-03-21","2011-06-04","2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid",""],["KGW","2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide","C22 H25 N7 O3","O=C(NC)c1ccccc1Nc2ncnc(n2)Nc4c(OC)cc(N3CCOCC3)cc4;CNC(=O)c1ccccc1Nc2ncnc(Nc3ccc(cc3OC)N4CCOCC4)n2;CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4","InChI=1S/C22H25N7O3/c1-23-20(30)16-5-3-4-6-17(16)26-21-24-14-25-22(28-21)27-18-8-7-15(13-19(18)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)","","2013-06-05","2014-09-05","2-[(4-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-N-methylbenzamide","2013-07-24"],["KGX","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","C28 H36 N14 O9","NCCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)CC(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)NCCN)O)O)N)CC(=O)O)O)O)N","InChI=1S/C28H36N14O9/c29-3-4-32-28(49)33-6-12-18(45)21(48)27(50-12)42-14(39-17-23(31)35-10-37-25(17)42)2-1-5-40(8-15(43)44)7-13-19(46)20(47)26(51-13)41-11-38-16-22(30)34-9-36-24(16)41/h9-13,18-21,26-27,45-48H,3-8,29H2,(H,43,44)(H2,30,34,36)(H2,31,35,37)(H2,32,33,49)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1","","2022-05-25","2023-01-06","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","2023-01-11"],["736","(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE","C24 H29 Cl N4 O2 S","O=S(=O)(N5CCC(C4c1ccc(Cl)cc1C(N2CCNCC2)=Cc3cccnc34)CC5)C;C[S](=O)(=O)N1CCC(CC1)[CH]2c3ccc(Cl)cc3C(=Cc4cccnc24)N5CCNCC5;CS(=O)(=O)N1CCC(CC1)C2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl","InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1","","2005-10-27","2011-06-04","(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine",""],["737","N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE","C32 H33 N9 O3 S","O=C(c1nccs1)C(NC(=O)CN4C(=NC=C(NCc3c2ncccc2ccc3)C4=O)c5cccc(c5)C)CCCNC(=[N@H])N;Cc1cccc(c1)C2=NC=C(NCc3cccc4cccnc34)C(=O)N2CC(=O)N[CH](CCCNC(N)=N)C(=O)c5sccn5;[H]N=C(N)NCCCC(C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C","InChI=1S/C32H33N9O3S/c1-20-6-2-8-22(16-20)29-39-18-25(38-17-23-9-3-7-21-10-4-12-35-27(21)23)31(44)41(29)19-26(42)40-24(11-5-13-37-32(33)34)28(43)30-36-14-15-45-30/h2-4,6-10,12,14-16,18,24,38H,5,11,13,17,19H2,1H3,(H,40,42)(H4,33,34,37)/t24-/m0/s1","","2005-07-27","2024-09-27","N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]-2-[2-(3-methylphenyl)-6-oxo-5-[(quinolin-8-ylmethyl)amino]pyrimidin-1(6H)-yl]acetamide",""],["KGY","4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE","C22 H27 N3 O8 S2","O=S(=O)(c1c(onc1C)C)N3CCC(C(=O)NO)(CS(=O)(=O)c2ccc(OCC#CC)cc2)CC3;CC#CCOc1ccc(cc1)[S](=O)(=O)CC2(CCN(CC2)[S](=O)(=O)c3c(C)onc3C)C(=O)NO;CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO","InChI=1S/C22H27N3O8S2/c1-4-5-14-32-18-6-8-19(9-7-18)34(28,29)15-22(21(26)23-27)10-12-25(13-11-22)35(30,31)20-16(2)24-33-17(20)3/h6-9,27H,10-15H2,1-3H3,(H,23,26)","","2006-08-23","2011-06-04","4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-hydroxypiperidine-4-carboxamide",""],["738","N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide","C16 H13 F N2 O S","Fc1ccccc1C(=O)Nc2sc3c(c2C#N)CCCC3;Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N;c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F","InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)","","2006-12-07","2011-06-04","N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide",""],["KGZ","1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","C28 H33 F N6 O2","NC(=O)c1cn(nc1NC(=O)C2CC2)[C]3(CCN(C[CH]3F)Cc4ccc(cc4)C5=CCCCC5)CC#N;c1cc(ccc1CN2CCC(C(C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5","InChI=1S/C28H33FN6O2/c29-24-18-34(16-19-6-8-21(9-7-19)20-4-2-1-3-5-20)15-13-28(24,12-14-30)35-17-23(25(31)36)26(33-35)32-27(37)22-10-11-22/h4,6-9,17,22,24H,1-3,5,10-13,15-16,18H2,(H2,31,36)(H,32,33,37)/t24-,28+/m1/s1","","2019-05-21","2020-07-03","1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","2020-07-08"],["KH0","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C31 H41 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NCc4ccccc4)O","InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25-/m0/s1","(S,S,S)-13b; ketoamide inhibitor 13b (bound)","2023-08-14","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2023-08-23"],["739","2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE","C23 H39 N3 O6 S2","O=S(=O)(C)CCC(C(=O)O)NC(=O)C(OCC(NCC(N)CS)C(C)CC)Cc1ccccc1;CC[CH](C)[CH](CO[CH](Cc1ccccc1)C(=O)N[CH](CC[S](C)(=O)=O)C(O)=O)NC[CH](N)CS;CCC(C)C(COC(Cc1ccccc1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)NCC(CS)N","InChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1","L-739,750","2001-06-14","2021-03-13","(2S)-2-{[(2S)-2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoyl]amino}-4-(methylsulfonyl)butanoic acid",""],["KH1","5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL","C29 H48 O4","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(OCCCC(O)(CC)CC)C)CCC12)CC(O)C3;CCC(O)(CC)CCCO[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CCC(CC)(CCCOC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O","InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1","1ALPHA,25-DIHYDROXYL-20-EPI-22-OXA-24,26,27-TRIHOMO VITAMIN D3","2001-04-17","2021-03-13","(1S,3R,5Z,7E,14beta,17alpha,20R)-20-[(4-ethyl-4-hydroxyhexyl)oxy]-9,10-secopregna-5,7,10-triene-1,3-diol",""],["73A","(2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide","C22 H23 Cl N6 O2","c21ncnc(c1c(c(/C=C(/C(NC(C)C)=O)C#N)n2CCOC)c3ccc(cc3)Cl)N;COCCn1c(C=C(C#N)C(=O)NC(C)C)c(c2ccc(Cl)cc2)c3c(N)ncnc13;CC(C)NC(=O)C(=Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N","InChI=1S/C22H23ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,10,12-13H,8-9H2,1-3H3,(H,28,30)(H2,25,26,27)/b15-10+","Rao-IV-151, unbound form","2016-08-18","2021-03-13","(2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide","2017-08-23"],["KH2","3-(1-methylpiperidinium-1-yl)propane-1-sulfonate","C9 H19 N O3 S","[O-]S(=O)(=O)CCC[N+]1(CCCCC1)C;C[N+]1(CCCCC1)CCC[S]([O-])(=O)=O;C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]","InChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3","","2013-05-14","2013-06-21","3-(1-methylpiperidinium-1-yl)propane-1-sulfonate","2013-06-26"],["73B","4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid","C25 H23 Cl N2 O3","O=C(O)c4ccc(c1ccc3c(c1)C(Nc2ccc(Cl)cc2)CC(N3C(=O)C)C)cc4;C[CH]1C[CH](Nc2ccc(Cl)cc2)c3cc(ccc3N1C(C)=O)c4ccc(cc4)C(O)=O;CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl","InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1","","2013-04-22","2014-09-05","4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid","2013-10-02"],["73C","(2~{S})-2-azanyl-3-butoxy-propanoic acid","C7 H15 N O3","CCCCOC[CH](N)C(O)=O;CCCCOCC(C(=O)O)N","InChI=1S/C7H15NO3/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1","","2015-12-22","2024-09-27","(2~{S})-2-azanyl-3-butoxy-propanoic acid","2016-06-15"],["KH3","5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine","C22 H38 N8 O5","O=C(O)C(N)CCN(CCNCCCCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCCCCNCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCNCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C22H38N8O5/c1-2-3-4-5-7-25-8-10-29(9-6-14(23)22(33)34)11-15-17(31)18(32)21(35-15)30-13-28-16-19(24)26-12-27-20(16)30/h12-15,17-18,21,25,31-32H,2-11,23H2,1H3,(H,33,34)(H2,24,26,27)/t14-,15+,17+,18+,21+/m0/s1","","2012-08-01","2013-03-22","5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine","2013-03-27"],["KH4","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate","C15 H25 N4 O8 P S","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ncnc1;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O","InChI=1S/C15H25N4O8PS/c1-15(2,8-27-28(24,25)26)12(21)13(22)18-4-3-11(20)17-5-6-29-14(23)10-7-16-9-19-10/h7,9,12,21H,3-6,8H2,1-2H3,(H,16,19)(H,17,20)(H,18,22)(H2,24,25,26)/t12-/m0/s1","","2014-04-03","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate","2014-07-23"],["73D","1-ethylindole-2,3-dione","C10 H9 N O2","CCN1C(=O)C(=O)c2ccccc12;CCN1c2ccccc2C(=O)C1=O","InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3","","2016-08-19","2024-09-27","1-ethylindole-2,3-dione","2018-08-29"],["KH5","1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","C28 H30 N6 O2","NC(=O)c1cn(nc1NC(=O)C2CC2)C3(CCN(CC3)Cc4ccc(cc4)c5ccccc5)CC#N;c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N","InChI=1S/C28H30N6O2/c29-15-12-28(34-19-24(25(30)35)26(32-34)31-27(36)23-10-11-23)13-16-33(17-14-28)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-9,19,23H,10-14,16-18H2,(H2,30,35)(H,31,32,36)","","2019-05-21","2020-07-03","1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","2020-07-08"],["73E","(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol","C14 H17 N3 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccccc3;c1ccc(cc1)c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol","2016-08-19","2020-07-17","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol","2017-06-14"],["73F","1-(2-phenylethyl)indole-2,3-dione","C16 H13 N O2","O=C1N(CCc2ccccc2)c3ccccc3C1=O;c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O","InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2","","2016-08-19","2024-09-27","1-(2-phenylethyl)indole-2,3-dione","2018-08-29"],["KH6","N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide","C24 H21 N7 O3","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1;Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5","InChI=1S/C24H21N7O3/c1-29-22(18(13-26-29)24(33)30-7-9-34-10-8-30)23(32)28-19-11-21-27-20(16-5-3-2-4-6-16)15-31(21)14-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,28,32)","","2022-02-03","2022-10-07","N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide","2022-10-12"],["KH8","1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","C28 H30 N6 O3","NC(=O)c1cn(nc1NC(=O)C2CC2)C3(CCN(CC3)Cc4ccc(c(O)c4)c5ccccc5)CC#N;c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N","InChI=1S/C28H30N6O3/c29-13-10-28(34-18-23(25(30)36)26(32-34)31-27(37)21-7-8-21)11-14-33(15-12-28)17-19-6-9-22(24(35)16-19)20-4-2-1-3-5-20/h1-6,9,16,18,21,35H,7-8,10-12,14-15,17H2,(H2,30,36)(H,31,32,37)","","2019-05-21","2020-07-03","1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","2020-07-08"],["73G","butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate","C14 H15 N O4","CCCCOC(=O)CN1C(=O)C(=O)c2ccccc12;CCCCOC(=O)CN1c2ccccc2C(=O)C1=O","InChI=1S/C14H15NO4/c1-2-3-8-19-12(16)9-15-11-7-5-4-6-10(11)13(17)14(15)18/h4-7H,2-3,8-9H2,1H3","","2016-08-19","2024-09-27","butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate","2018-08-29"],["KH9","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","C29 H38 N14 O9","NCCCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)CC(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)NCCCN)O)O)N)CC(=O)O)O)O)N","InChI=1S/C29H38N14O9/c30-4-2-5-33-29(50)34-7-13-19(46)22(49)28(51-13)43-15(40-18-24(32)36-11-38-26(18)43)3-1-6-41(9-16(44)45)8-14-20(47)21(48)27(52-14)42-12-39-17-23(31)35-10-37-25(17)42/h10-14,19-22,27-28,46-49H,2,4-9,30H2,(H,44,45)(H2,31,35,37)(H2,32,36,38)(H2,33,34,50)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1","","2022-05-25","2023-01-06","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","2023-01-11"],["73H","5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione","C16 H12 F N O2","Fc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1;c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F","InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2","","2016-08-19","2024-09-27","5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione","2018-08-29"],["KHA","1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM","C16 H25 N2 O2","O=C(NCCO)c1ccc(cc1)C[N+]2(CCCCC2)C;C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO;C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO","InChI=1S/C16H24N2O2/c1-18(10-3-2-4-11-18)13-14-5-7-15(8-6-14)16(20)17-9-12-19/h5-8,19H,2-4,9-13H2,1H3/p+1","","2004-02-05","2011-06-04","1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium",""],["73I","(1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide","C26 H22 F3 N O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(O)cc1;Oc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O","InChI=1S/C26H22F3NO6S/c27-26(28,29)14-30(17-5-11-20(33)12-6-17)37(34,35)22-13-21-23(15-1-7-18(31)8-2-15)24(25(22)36-21)16-3-9-19(32)10-4-16/h1-12,21-22,25,31-33H,13-14H2/t21-,22+,25+/m0/s1","","2021-08-11","2021-09-17","(1S,2R,4S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-22"],["KHB","N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine","C10 H20 N2 O4","NC(C(O)=O)CCCCNC(=O)CC(O)C;C[CH](O)CC(=O)NCCCC[CH](N)C(O)=O;CC(CC(=O)NCCCCC(C(=O)O)N)O","InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1","","2018-02-05","2024-09-27","N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine","2019-02-06"],["73J","~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide","C28 H18 F N5 O","Fc1ccc2[nH]c(nc2c1)c3cccc4[CH](NC(=O)c5ccnc6[nH]ccc56)c7ccccc7c34;c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F","InChI=1S/C28H18FN5O/c29-15-8-9-22-23(14-15)33-27(32-22)21-7-3-6-20-24(21)16-4-1-2-5-17(16)25(20)34-28(35)19-11-13-31-26-18(19)10-12-30-26/h1-14,25H,(H,30,31)(H,32,33)(H,34,35)/t25-/m1/s1","","2016-08-19","2017-08-18","~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide","2017-08-23"],["KHC","(4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile","C17 H16 Cl2 N4 O","Cn1c2c(Cl)c(Cl)ccc2c3[CH](C#N)C4(CCNCC4)NC(=O)c13;Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4(C3C#N)CCNCC4","InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)/t10-/m0/s1","","2020-04-24","2020-07-10","(4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile","2020-07-15"],["73K","N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","C17 H15 N5 O3 S","C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3occc3)n4cnnc24;CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4","InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)","","2016-08-19","2017-01-26","~{N}-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","2017-02-01"],["KHD","N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide","C26 H23 N3 O3","n4c(N)c(c1ccc(cc1)Oc2ccccc2)c(Oc3cc(NC(=O)CC)ccc3)cc4;CCC(=O)Nc1cccc(Oc2ccnc(N)c2c3ccc(Oc4ccccc4)cc3)c1;CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N","InChI=1S/C26H23N3O3/c1-2-24(30)29-19-7-6-10-22(17-19)32-23-15-16-28-26(27)25(23)18-11-13-21(14-12-18)31-20-8-4-3-5-9-20/h3-17H,2H2,1H3,(H2,27,28)(H,29,30)","","2018-12-05","2024-09-27","N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide","2019-02-06"],["73L","1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione","C23 H28 N6 O4 S2","Cn1cc(CN2C(=O)N(Cc3sc(C)nc3C)c4ccc(cc4C2=O)[S](O)(O)NC5(C)CC5)cn1;Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O","InChI=1S/C23H28N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26,32-33H,7-8,12-13H2,1-4H3","","2016-08-19","2018-11-09","1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione","2018-11-14"],["KHE","1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","C28 H29 F N6 O2","NC(=O)c1cn(nc1NC(=O)C2CC2)[C]3(CCN(C[CH]3F)Cc4ccc(cc4)c5ccccc5)CC#N;c1ccc(cc1)c2ccc(cc2)CN3CCC(C(C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N","InChI=1S/C28H29FN6O2/c29-24-18-34(16-19-6-8-21(9-7-19)20-4-2-1-3-5-20)15-13-28(24,12-14-30)35-17-23(25(31)36)26(33-35)32-27(37)22-10-11-22/h1-9,17,22,24H,10-13,15-16,18H2,(H2,31,36)(H,32,33,37)/t24-,28+/m1/s1","","2019-05-21","2020-07-03","1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide","2020-07-08"],["73M","bis(azanyl)-chloranyl-oxidanyl-platinum","Cl H5 N2 O Pt","N[Pt](N)(O)Cl;N[Pt](N)(O)Cl","InChI=1S/ClH.2H2N.H2O.Pt/h1H;3*1H2;/q;2*-1;;+4/p-2","","2016-08-19","2016-12-02","bis(azanyl)-chloranyl-oxidanyl-platinum","2016-12-07"],["KHF","PCO-371","C29 H32 F3 N5 O6 S","Cc1cc(cc(C)c1CC[S](=O)(=O)N2CCC3(CC2)N=C(NC3=O)c4ccc(OC(F)(F)F)cc4)N5C(=O)NC(=O)C5(C)C;Cc1cc(cc(c1CCS(=O)(=O)N2CCC3(CC2)C(=O)NC(=N3)c4ccc(cc4)OC(F)(F)F)C)N5C(=O)NC(=O)C5(C)C","InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)","1-[3,5-dimethyl-4-[2-[[4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-imidazolidine-2,4-dione","2022-09-21","2023-09-15","1-[3,5-dimethyl-4-[2-[[4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-imidazolidine-2,4-dione","2023-06-14"],["73N","(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid","C7 H14 N4 O4","NC(=N)NCCC[CH](NC(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)O)CNC(=N)N","InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1","","2016-08-19","2024-09-27","(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid","2016-09-21"],["KHG","(1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide","C24 H34 N2 O","c1ccc(cc1)C43CC2(CC(C)(CC(C2)C3)C4)C(NC5CCC(N)CC5)=O;C[C]12C[CH]3C[C](C1)(C[C](C3)(C2)c4ccccc4)C(=O)N[CH]5CC[CH](N)CC5;CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5","InChI=1S/C24H34N2O/c1-22-11-17-12-23(14-22,18-5-3-2-4-6-18)16-24(13-17,15-22)21(27)26-20-9-7-19(25)8-10-20/h2-6,17,19-20H,7-16,25H2,1H3,(H,26,27)/t17-,19-,20-,22+,23+,24-/m0/s1","","2018-12-06","2019-12-06","(1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide","2019-12-11"],["73O","(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid","C10 H13 N O3","N[CH](CCc1ccc(O)cc1)C(O)=O;c1cc(ccc1CCC(C(=O)O)N)O","InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1","","2016-08-19","2024-09-27","(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid","2016-09-21"],["KHH","methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate","C22 H24 F2 N6 O4","COC(=O)Nc1nn(cc1C(N)=O)[C]2(CCN(C[CH]2F)Cc3cc(O)c(C=C)cc3F)CC#N;COC(=O)Nc1c(cn(n1)C2(CCN(CC2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N","InChI=1S/C22H24F2N6O4/c1-3-13-8-16(23)14(9-17(13)31)10-29-7-5-22(4-6-25,18(24)12-29)30-11-15(19(26)32)20(28-30)27-21(33)34-2/h3,8-9,11,18,31H,1,4-5,7,10,12H2,2H3,(H2,26,32)(H,27,28,33)/t18-,22+/m1/s1","","2019-05-21","2020-07-03","methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate","2020-07-08"],["73P","(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid","C7 H14 N2 O4","NCCCC[CH](NC(O)=O)C(O)=O;C(CCN)CC(C(=O)O)NC(=O)O","InChI=1S/C7H14N2O4/c8-4-2-1-3-5(6(10)11)9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1","","2016-08-19","2024-09-27","(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid","2016-09-21"],["KHI","6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine","C21 H24 Cl N5","CN(C)c1nc(nc2ccc(Cl)cc21)CCC1CCN(C1)c1ncccc1;CN(C)c1nc(CC[CH]2CCN(C2)c3ccccn3)nc4ccc(Cl)cc14;CN(C)c1c2cc(ccc2nc(n1)CCC3CCN(C3)c4ccccn4)Cl","InChI=1S/C21H24ClN5/c1-26(2)21-17-13-16(22)7-8-18(17)24-19(25-21)9-6-15-10-12-27(14-15)20-5-3-4-11-23-20/h3-5,7-8,11,13,15H,6,9-10,12,14H2,1-2H3","","2022-02-03","2022-10-07","6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine","2022-10-12"],["73Q","6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE","C12 H10 Cl N3 O2","Clc3cc2C(=O)c1c(nn(c1N(O)c2cc3)C)C;Cn1nc(C)c2C(=O)c3cc(Cl)ccc3N(O)c12;Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O","InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3","","2006-04-10","2011-06-04","6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinolin-4-one",""],["73R","(3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one","C26 H36 F3 N5 O","c43c(c(NC1C(=O)N(CC1)C2CCC(CC2CCC)N(C(C)C)C)ncn3)cc(cc4)C(F)(F)F;CCC[CH]1C[CH](CC[CH]1N2CC[CH](Nc3ncnc4ccc(cc34)C(F)(F)F)C2=O)N(C)C(C)C;CCCC1CC(CCC1N2CCC(C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C","InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1","","2016-08-19","2016-12-09","(3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one","2016-12-14"],["KHJ","1,1'-dimethyl-4,4'-bipyridin-1-ium","C12 H14 N2","C[n+]2ccc(c1cc[n+](cc1)C)cc2;C[n+]1ccc(cc1)c2cc[n+](C)cc2;C[n+]1ccc(cc1)c2cc[n+](cc2)C","InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2","","2018-12-07","2019-08-30","1,1'-dimethyl-4,4'-bipyridin-1-ium","2019-09-04"],["KHK","Ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine)","C42 H25 N9 O2 Ru","[O-][N+](=O)c1ccc2nc3c4cccn5c4c4c(cccn4[Ru]545(n6cccc7ccc8cccn4c8c67)n4cccc6ccc7cccn5c7c64)c3nc2c1;[Ru].[O-][N+](=O)c1ccc2nc3c4cccnc4c5ncccc5c3nc2c1.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11;c1cc2c(cc1[N+](=O)[O-])nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36","InChI=1S/C18H9N5O2.2C12H8N2.Ru/c24-23(25)10-5-6-13-14(9-10)22-18-12-4-2-8-20-16(12)15-11(17(18)21-13)3-1-7-19-15;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;","","2019-05-22","2026-04-05","(OC-6-33'-A)-(11-nitrodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)ruthenium","2020-07-08"],["73S","2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide","C24 H16 Cl N7 O","Nc1ncc(Cl)c(n1)C(=O)N[CH]2c3ccccc3c4c2cccc4c5[nH]c6ccncc6n5;c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5","InChI=1S/C24H16ClN7O/c25-16-10-28-24(26)32-21(16)23(33)31-20-13-5-2-1-4-12(13)19-14(20)6-3-7-15(19)22-29-17-8-9-27-11-18(17)30-22/h1-11,20H,(H,29,30)(H,31,33)(H2,26,28,32)/t20-/m1/s1","","2016-08-19","2017-08-18","2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide","2017-08-23"],["KHL","(1~{R},24~{R},25~{S},26~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-25,26-bis(oxidanyl)-27-oxa-2,4,6,9,14,17,20,22-octazatetracyclo[22.2.1.0^{2,10}.0^{3,8}]heptacosa-3(8),4,6,9-tetraen-11-yne-16,21-dione","C28 H34 N14 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNC(=O)NCCNC(=O)C4)O)O)N)O)O)N","InChI=1S/C28H34N14O8/c29-22-16-24(36-9-34-22)41(11-38-16)26-20(46)19(45)13(50-26)7-40-5-1-2-14-39-17-23(30)35-10-37-25(17)42(14)27-21(47)18(44)12(49-27)6-33-28(48)32-4-3-31-15(43)8-40/h9-13,18-21,26-27,44-47H,3-8H2,(H,31,43)(H2,29,34,36)(H2,30,35,37)(H2,32,33,48)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1","","2022-05-25","2023-01-06","(1~{R},24~{R},25~{S},26~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-25,26-bis(oxidanyl)-27-oxa-2,4,6,9,14,17,20,22-octazatetracyclo[22.2.1.0^{2,10}.0^{3,8}]heptacosa-3(8),4,6,9-tetraen-11-yne-16,21-dione","2023-01-11"],["73T","6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide","C32 H30 F2 N4 O4","C6c5c4c(c(C(N)=O)cc(c4c1cccc(c1C)N3C(=O)N(C)c2c(cccc2F)C3=O)F)nc5CC(C6)C(C)(O)C;CN1C(=O)N(C(=O)c2cccc(F)c12)c3cccc(c3C)c4c(F)cc(C(N)=O)c5[nH]c6C[CH](CCc6c45)C(C)(C)O;Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)CC(CC6)C(C)(C)O)C(=O)N)F","InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1","(2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide","2016-08-19","2021-03-13","(2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide","2017-03-08"],["KHM","(1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid","C20 H20 N4 O4","c1ccccc1c4cc(O)n2c(c(cn2)C(NC3CCCCC3C(O)=O)=O)n4;OC(=O)[CH]1CCCC[CH]1NC(=O)c2cnn3c(O)cc(nc23)c4ccccc4;c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)NC4CCCCC4C(=O)O)O","InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1","","2018-12-07","2018-12-14","(1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid","2018-12-19"],["73U","5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","C16 H17 N3 O3 S","c1cc(ccc1NC)c3ccc(c(N2S(NC(=O)C2)(=O)=O)c3)C;CNc1ccc(cc1)c2ccc(C)c(c2)N3CC(=O)N[S]3(=O)=O;Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC","InChI=1S/C16H17N3O3S/c1-11-3-4-13(12-5-7-14(17-2)8-6-12)9-15(11)19-10-16(20)18-23(19,21)22/h3-9,17H,10H2,1-2H3,(H,18,20)","","2016-08-19","2017-04-07","5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","2017-04-12"],["KHN","Ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine)","C42 H25 N9 O2 Ru","[O-][N+](=O)c1cccc2nc3c4cccn5c4c4c(cccn4[Ru]545(n6cccc7ccc8cccn4c8c67)n4cccc6ccc7cccn5c7c64)c3nc21;[Ru].[O-][N+](=O)c1cccc2nc3c4cccnc4c5ncccc5c3nc12.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11;c1cc2c(c(c1)[N+](=O)[O-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12","InChI=1S/C18H9N5O2.2C12H8N2.Ru/c24-23(25)13-7-1-6-12-18(13)22-17-11-5-3-9-20-15(11)14-10(16(17)21-12)4-2-8-19-14;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;","","2019-05-22","2026-04-05","(OC-6-33'-A)-(10-nitrodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)ruthenium","2020-07-08"],["73V","BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE","C25 H35 N3 O6","O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C3OC3C(=O)NCCC;CCCNC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(=O)N2CCC[CH]2C(=O)OCc3ccccc3;CCCNC(=O)C1C(O1)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)OCc3ccccc3","InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1","CA073; N-(L-3-TRANS-PROPYLCARBAMOYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE BENZYL ESTER","2006-01-04","2024-09-27","benzyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate",""],["KHP","4-nitrophenyl alpha-L-arabinofuranoside","C11 H13 N O7","[O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2;OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O","InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1","2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL; 4-NITROPHENYL-ARA; 4-nitrophenyl alpha-L-arabinoside;\n4-nitrophenyl L-arabinoside; 4-nitrophenyl arabinoside","2003-09-12","2020-07-17","4-nitrophenyl alpha-L-arabinofuranoside",""],["73W","5'-O-[(dithiophosphono)]cytidine","C9 H14 N3 O6 P S2","O=C1N=C(N)C=CN1C2C(C(C(O2)COP(=S)(O)S)O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(S)=S)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)S)O)O","InChI=1S/C9H14N3O6PS2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(18-8)3-17-19(16,20)21/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,20,21)/t4-,6-,7-,8-/m1/s1","","2016-08-19","2017-02-03","5'-O-[(dithiophosphono)]cytidine","2017-02-08"],["KHQ","1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one","C28 H31 F3 N8 O","C[CH](N1CCN(CC1)C(=O)CC(F)(F)F)c2ccnc(Nc3[nH]c4ccc(cc4n3)c5cnn(CC6CC6)c5)c2;CC(c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F","InChI=1S/C28H31F3N8O/c1-18(37-8-10-38(11-9-37)26(40)14-28(29,30)31)20-6-7-32-25(13-20)36-27-34-23-5-4-21(12-24(23)35-27)22-15-33-39(17-22)16-19-2-3-19/h4-7,12-13,15,17-19H,2-3,8-11,14,16H2,1H3,(H2,32,34,35,36)/t18-/m1/s1","","2019-05-22","2019-12-27","1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one","2020-01-01"],["73X","5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine","C14 H16 Cl2 N6","c1(ncc(c(n1)N)N3CCN(c2cc(c(Cl)cc2)Cl)CC3)N;Nc1ncc(N2CCN(CC2)c3ccc(Cl)c(Cl)c3)c(N)n1;c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl","InChI=1S/C14H16Cl2N6/c15-10-2-1-9(7-11(10)16)21-3-5-22(6-4-21)12-8-19-14(18)20-13(12)17/h1-2,7-8H,3-6H2,(H4,17,18,19,20)","","2016-08-19","2016-09-23","5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine","2016-09-28"],["73Y","6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide","C29 H18 Br N5 O","Brc1cnc2[nH]cnc2c1C(=O)N[CH]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6;c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5C4NC(=O)c6c(cnc7c6nc[nH]7)Br","InChI=1S/C29H18BrN5O/c30-22-14-32-28-27(33-15-34-28)25(22)29(36)35-26-20-8-3-2-7-19(20)24-18(9-5-10-21(24)26)17-12-16-6-1-4-11-23(16)31-13-17/h1-15,26H,(H,35,36)(H,32,33,34)/t26-/m1/s1","","2016-08-22","2017-09-08","6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide","2017-09-13"],["KHR","3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine","C21 H20 F N5 O4 S","COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccncc4)cc(C)nc23;Cc1cc(n2c(n1)c(c(n2)C)c3ccc(c(c3)OS(=O)(=O)F)OC)NCc4ccncc4","InChI=1S/C21H20FN5O4S/c1-13-10-19(24-12-15-6-8-23-9-7-15)27-21(25-13)20(14(2)26-27)16-4-5-17(30-3)18(11-16)31-32(22,28)29/h4-11,24H,12H2,1-3H3","","2023-08-14","2024-09-27","3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine","2023-12-13"],["KHS","N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide","C18 H18 Cl F3 N2 O3 S2","Clc1ccccc1SCCNC(=O)C(C)(C)S(=O)(=O)c2ccc(cn2)C(F)(F)F;CC(C)(C(=O)NCCSc1ccccc1Cl)[S](=O)(=O)c2ccc(cn2)C(F)(F)F;CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F","InChI=1S/C18H18ClF3N2O3S2/c1-17(2,16(25)23-9-10-28-14-6-4-3-5-13(14)19)29(26,27)15-8-7-12(11-24-15)18(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)","","2018-12-07","2019-11-08","N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide","2019-11-13"],["73Z","2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide","C24 H29 N3 O3","Cc1cn(c2CC(C)(C)CC(=O)c12)c3ccc(C(N)=O)c(NC4CCC(=O)CC4)c3;Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N","InChI=1S/C24H29N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,26H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)","","2016-08-22","2017-07-28","2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide","2017-08-02"],["KHT","~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide","C25 H26 F3 N7 O2","FC(F)(F)CC(=O)N1CCN(CC1)Cc2ccnc(Nc3[nH]c4ccc(cc4n3)C(=O)NCC5=CC5)c2;c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F","InChI=1S/C25H26F3N7O2/c26-25(27,28)13-22(36)35-9-7-34(8-10-35)15-17-5-6-29-21(11-17)33-24-31-19-4-3-18(12-20(19)32-24)23(37)30-14-16-1-2-16/h1,3-6,11-12H,2,7-10,13-15H2,(H,30,37)(H2,29,31,32,33)","","2019-05-22","2019-12-27","~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide","2020-01-01"],["740","N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE","C23 H27 N5 O3 S","O=S5(=O)N(c1ccc2c(c1)c(nn2)NC(=O)Cc4ccc(N3CCCCC3)cc4)CCC5;O=C(Cc1ccc(cc1)N2CCCCC2)Nc3n[nH]c4ccc(cc34)N5CCC[S]5(=O)=O;c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5","InChI=1S/C23H27N5O3S/c29-22(15-17-5-7-18(8-6-17)27-11-2-1-3-12-27)24-23-20-16-19(9-10-21(20)25-26-23)28-13-4-14-32(28,30)31/h5-10,16H,1-4,11-15H2,(H2,24,25,26,29)","","2007-09-14","2011-06-04","N-[5-(1,1-dioxidoisothiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide",""],["KHU","N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide","C21 H16 F N5 O2","CC(=O)Nc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F;CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F;CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F","InChI=1S/C21H16FN5O2/c1-14(28)24-15-5-4-6-16(13-15)26-12-10-20(29)21(25-26)19-9-11-23-27(19)18-8-3-2-7-17(18)22/h2-13H,1H3,(H,24,28)","","2022-02-03","2022-10-07","N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide","2022-10-12"],["741","4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile","C27 H29 Cl N6 O3 S","N#Cc2cnc1c(cc(OC)c(OCCCN(CCO)C)c1)c2Nc4cc(Cl)c(Sc3nccn3C)cc4;COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN(C)CCO)C#N;Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCCN(C)CCO)OC","InChI=1S/C27H29ClN6O3S/c1-33(10-11-35)8-4-12-37-24-15-22-20(14-23(24)36-3)26(18(16-29)17-31-22)32-19-5-6-25(21(28)13-19)38-27-30-7-9-34(27)2/h5-7,9,13-15,17,35H,4,8,10-12H2,1-3H3,(H,31,32)","","2008-11-06","2011-06-04","4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-{3-[(2-hydroxyethyl)(methyl)amino]propoxy}-6-methoxyquinoline-3-carbonitrile",""],["742","(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM","C16 H38 O6 P3","O=P(O)(O)C(C[P+](CCCCCCCCCCCC)(C)C)P(=O)(O)O;CCCCCCCCCCCC[P+](C)(C)CC([P](O)(O)=O)[P](O)(O)=O;CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1","","2007-09-04","2011-06-04","(2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium",""],["KHW","[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane","C12 H18 N6","CCC[CH](NN)c1nnnn1Cc2ccccc2;CCCC(c1nnnn1Cc2ccccc2)NN","InChI=1S/C12H18N6/c1-2-6-11(14-13)12-15-16-17-18(12)9-10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9,13H2,1H3/t11-/m1/s1","","2019-05-22","2020-07-03","[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane","2020-07-08"],["743","(1R,5R)-5-{(1Z)-N-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile","C26 H27 F N2 O3","Fc1ccc(cc1)c2ccc(cc2)CON=C(/C3C(=O)CC(C)(C)C(C#N)C3=O)CCC;CCCC(=NOCc1ccc(cc1)c2ccc(F)cc2)[CH]3C(=O)CC(C)(C)[CH](C#N)C3=O;CCCC(=NOCc1ccc(cc1)c2ccc(cc2)F)C3C(=O)CC(C(C3=O)C#N)(C)C","InChI=1S/C26H27FN2O3/c1-4-5-22(24-23(30)14-26(2,3)21(15-28)25(24)31)29-32-16-17-6-8-18(9-7-17)19-10-12-20(27)13-11-19/h6-13,21,24H,4-5,14,16H2,1-3H3/b29-22-/t21-,24-/m1/s1","","2008-08-18","2011-06-04","(1R,5R)-5-{(1Z)-N-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile",""],["KHX","(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-18,20-dione","C28 H33 N13 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CCNC(=O)CC(=O)NC[CH]5O[CH]([CH](O)[CH]5O)n6c(nc7c(N)ncnc67)C#CC4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN4CCNC(=O)CC(=O)NCC5C(C(C(O5)n6c(nc7c6ncnc7N)C#CC4)O)O)O)O)N","InChI=1S/C28H33N13O8/c29-23-17-25(35-9-33-23)40(11-37-17)27-21(46)20(45)13(49-27)8-39-4-1-2-14-38-18-24(30)34-10-36-26(18)41(14)28-22(47)19(44)12(48-28)7-32-16(43)6-15(42)31-3-5-39/h9-13,19-22,27-28,44-47H,3-8H2,(H,31,42)(H,32,43)(H2,29,33,35)(H2,30,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1","","2022-05-25","2023-01-06","(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-18,20-dione","2023-01-11"],["MXR","(2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C17 H27 N3 O5 S","O=C(O)C2=NC(C(C2SC1CC(C(=O)N(C)C)NC1)C)C(C=O)C(O)C;C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C","InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12-,13-,15+/m1/s1","meropenem bound form (tautomerism)","2012-10-02","2024-09-27","(2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","2013-06-19"],["744","(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE","C18 H23 Cl N2 O2","Clc1cc(c(cc1)C)NC(=O)C3CC(=O)N(C2CCCCC2)C3;Cc1ccc(Cl)cc1NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2;Cc1ccc(cc1NC(=O)C2CC(=O)N(C2)C3CCCCC3)Cl","InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1","","2006-06-15","2011-06-04","(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide",""],["MXS","(2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid","C16 H19 N3 O7 S","O=C(O)C(Nc2c(cc1cc(ccn12)NC(=O)OC)C=O)C(S(=O)O)(C)C;COC(=O)Nc1ccn2c(N[CH](C(O)=O)C(C)(C)[S](O)=O)c(C=O)cc2c1;CC(C)(C(C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)S(=O)O","InChI=1S/C16H19N3O7S/c1-16(2,27(24)25)12(14(21)22)18-13-9(8-20)6-11-7-10(4-5-19(11)13)17-15(23)26-3/h4-8,12,18H,1-3H3,(H,17,23)(H,21,22)(H,24,25)/t12-/m0/s1","","2009-01-23","2011-06-04","N-{2-formyl-7-[(methoxycarbonyl)amino]indolizin-3-yl}-3-sulfino-D-valine",""],["745","TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE","C20 H18 N2","[N@H]=C(N)c2ccc1cc(ccc1c2)C4CC4c3ccccc3;NC(=N)c1ccc2cc(ccc2c1)[CH]3C[CH]3c4ccccc4;[H]N=C(c1ccc2cc(ccc2c1)C3CC3c4ccccc4)N","InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1","","2004-08-01","2011-06-04","6-[(1R,2R)-2-phenylcyclopropyl]naphthalene-2-carboximidamide",""],["MXT","1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE","C13 H22 N2 O3","O=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C;CC1(C)CC(CC(C)(C)N1O)N2C(=O)CCC2=O;CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C","InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3","","2007-08-21","2024-09-27","1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione",""],["746","4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide","C34 H37 N5 O4","O=C(c4ccc(NC3=NC(c2cccc(NC(=O)c1ccc(cc1)C(C)(C)C)c2C)=CN(C3=O)C)cc4)N5CCOCC5;CN1C=C(N=C(Nc2ccc(cc2)C(=O)N3CCOCC3)C1=O)c4cccc(NC(=O)c5ccc(cc5)C(C)(C)C)c4C;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C","InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)","CGI1746","2010-08-24","2021-03-01","4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide",""],["MXU","~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C24 H35 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)N)O","InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1","","2022-08-09","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2023-08-16"],["747","(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one","C12 H9 F2 N3 O3","Fc2cc([C@H]=C1C(=O)N(C(=N1)C=NO)C)cc(c2O)F;CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=NO;CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=NO","InChI=1S/C12H9F2N3O3/c1-17-10(5-15-20)16-9(12(17)19)4-6-2-7(13)11(18)8(14)3-6/h2-5,18,20H,1H3/b9-4-,15-5+","","2016-08-22","2017-09-22","(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one","2017-09-27"],["MXV","2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine","C24 H22 N4 O3","COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45;Cn1ccc2c1cccc2c3[nH]c4ccnc(c4n3)c5cc(c(c(c5)OC)OC)OC","InChI=1S/C24H22N4O3/c1-28-11-9-15-16(6-5-7-18(15)28)24-26-17-8-10-25-21(22(17)27-24)14-12-19(29-2)23(31-4)20(13-14)30-3/h5-13H,1-4H3,(H,26,27)","","2023-01-06","2023-12-22","2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine","2023-12-27"],["748","N-[2-(dimethylamino)ethyl]-N-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide","C34 H34 N8 O2","CN(C)CCN(Cc1ccc(cc1)C(=O)Nc2ccc(C)c(Nc3nccc(n3)c4cccnc4)c2)C(=O)c5cccnc5;Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5","InChI=1S/C34H34N8O2/c1-24-8-13-29(20-31(24)40-34-37-17-14-30(39-34)27-6-4-15-35-21-27)38-32(43)26-11-9-25(10-12-26)23-42(19-18-41(2)3)33(44)28-7-5-16-36-22-28/h4-17,20-22H,18-19,23H2,1-3H3,(H,38,43)(H,37,39,40)","","2016-08-23","2017-08-11","~{N}-[2-(dimethylamino)ethyl]-~{N}-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide","2017-08-16"],["749","[(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)","C21 H38 O6 P2","O=P(O)(O)C(C/C=C(C)CCC=C(/C)C)(P(=O)(O)O)CC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCC(CC=C(C)CCC=C(C)C)([P](O)(O)=O)[P](O)(O)=O;CC(=CCCC(=CCC(CC=C(C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O)C)C","InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+","","2007-06-28","2011-06-04","[(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)",""],["MXW","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide","C17 H20 Cl N5 O3 S","O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1;C[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1;CS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl","InChI=1S/C17H20ClN5O3S/c1-27(25,26)21-14-4-2-13(3-5-14)12-17(24)23-10-8-22(9-11-23)16-7-6-15(18)19-20-16/h2-7,21H,8-12H2,1H3","","2022-03-22","2023-03-24","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide","2023-03-29"],["MXX","5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one","C13 H15 N O3","O=C2C=C(c1c(OC)ccc(OC)c1N2C)C;COc1ccc(OC)c2C(=CC(=O)N(C)c12)C;CC1=CC(=O)N(c2c1c(ccc2OC)OC)C","InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3","","2009-02-18","2011-06-04","5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one",""],["74A","N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide","C35 H42 F2 N4 O4","CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)C(=O)c4ccccc4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CN(CCN3)C(=O)c4ccccc4)O)C","InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)35(45)27-16-23(3)15-26(20-27)33(43)39-30(19-24-17-28(36)21-29(37)18-24)32(42)31-22-41(14-11-38-31)34(44)25-9-7-6-8-10-25/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1","","2010-02-11","2011-06-04","N3-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]propan-2-yl]-5-methyl-N1,N1-dipropyl-benzene-1,3-dicarboxamide",""],["MXY","2-O-methyl-beta-L-fucopyranose","C7 H14 O5","O(C)C1C(O)C(O)C(OC1O)C;CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)OC)O)O","InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1","2-O-METHYL FUCOSE; 2-O-methyl-beta-L-fucose; 2-O-methyl-L-fucose; 2-O-methyl-fucose","1999-11-08","2020-07-17","6-deoxy-2-O-methyl-beta-L-galactopyranose",""],["74B","(4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","C17 H19 F6 N3 O S","O2C(CC3C(c1c(cc(c(c1)CNCC(F)(F)F)F)F)(C2)N=C(SC3)N)CF;NC1=N[C]2(CO[CH](CF)C[CH]2CS1)c3cc(CNCC(F)(F)F)c(F)cc3F;c1c(c(cc(c1C23COC(CC2CSC(=N3)N)CF)F)F)CNCC(F)(F)F","InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1","","2016-08-23","2017-01-06","(4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","2017-01-11"],["MXZ","2-O-methyl-alpha-L-fucopyranose","C7 H14 O5","O(C)C1C(O)C(O)C(OC1O)C;CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)OC)O)O","InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1","6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPYRANOSE; 2-O-methyl-alpha-L-fucose; 2-O-methyl-L-fucose; 2-O-methyl-fucose","2003-04-15","2020-07-17","6-deoxy-2-O-methyl-alpha-L-galactopyranose",""],["74C","methyl radical","C H3","[CH3];[CH3]","InChI=1S/CH4/h1H4","","2016-08-23","2024-11-12","$l^{3}-carbane","2017-09-13"],["MY0","(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid","C6 H10 N2 O6","O=C(N(N)CC(=O)O)CC(O)C(=O)O;NN(CC(O)=O)C(=O)C[CH](O)C(O)=O;C(C(C(=O)O)O)C(=O)N(CC(=O)O)N","InChI=1S/C6H10N2O6/c7-8(2-5(11)12)4(10)1-3(9)6(13)14/h3,9H,1-2,7H2,(H,11,12)(H,13,14)/t3-/m0/s1","","2010-11-08","2024-09-27","(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid",""],["74D","1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide","C28 H36 F2 N4 O3","COC1=CC(=NC(=O)[CH]1CNC(=O)c2c(C)n([CH](C)C3CCN(CC3)CC(C)(F)F)c4ccccc24)C;Cc1c(c2ccccc2n1C(C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC","InChI=1S/C28H36F2N4O3/c1-17-14-24(37-5)22(26(35)32-17)15-31-27(36)25-19(3)34(23-9-7-6-8-21(23)25)18(2)20-10-12-33(13-11-20)16-28(4,29)30/h6-9,14,18,20,22H,10-13,15-16H2,1-5H3,(H,31,36)/t18-,22+/m1/s1","","2016-08-23","2017-02-17","1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide","2017-02-22"],["MY1","[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID","C20 H23 N3 O5","O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2;NN(CC(O)=O)C(=O)C[CH](O)C(=O)N(Cc1ccccc1)Cc2ccccc2;c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(CC(=O)N(CC(=O)O)N)O","InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1","","2006-01-27","2024-09-27","{1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid",""],["74E","2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide","C24 H31 N3 O3","Cc1cn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4CC(C)(C)CC(=O)c14;Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N","InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17-","","2016-08-23","2017-08-18","2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide","2017-08-23"],["MY2","{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID","C13 H16 N2 O6","O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc1;NN(CC(O)=O)C(=O)C[CH](O)C(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)C(CC(=O)N(CC(=O)O)N)O","InChI=1S/C13H16N2O6/c14-15(7-12(18)19)11(17)6-10(16)13(20)21-8-9-4-2-1-3-5-9/h1-5,10,16H,6-8,14H2,(H,18,19)/t10-/m0/s1","","2006-05-22","2024-09-27","{1-[(3S)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid",""],["74F","3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine","C19 H22 N10 O","C[CH](N1CCOCC1)c2nc(nn2C)c3cnc(N)c(n3)n4nnc5ccccc45;CC(c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5","InChI=1S/C19H22N10O/c1-12(28-7-9-30-10-8-28)18-23-17(25-27(18)2)14-11-21-16(20)19(22-14)29-15-6-4-3-5-13(15)24-26-29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21)/t12-/m0/s1","","2016-08-23","2017-04-14","3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine","2017-04-19"],["MY3","[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID","C13 H17 N3 O5","O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1;NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCc1ccccc1;c1ccc(cc1)CNC(=O)C(CC(=O)N(CC(=O)O)N)O","InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1","","2006-05-22","2024-09-27","{1-[(3S)-4-(benzylamino)-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid",""],["74G","4-{[(2S)-3-{2,16-dioxo-20-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium","C38 H51 N6 O6 S2","C12NC(NC1C(SC2)CCCCC(NCCOCCOCCOCCNC(=O)CN3C(Sc4c3cccc4)Cc5cc[n+](C)c6c5cccc6)=O)=O;C[n+]1ccc(C[CH]2Sc3ccccc3N2CC(=O)NCCOCCOCCOCCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)c6ccccc16;C[n+]1ccc(c2c1cccc2)CC3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C38H50N6O6S2/c1-43-17-14-27(28-8-2-3-9-30(28)43)24-36-44(31-10-4-5-11-32(31)52-36)25-35(46)40-16-19-49-21-23-50-22-20-48-18-15-39-34(45)13-7-6-12-33-37-29(26-51-33)41-38(47)42-37/h2-5,8-11,14,17,29,33,36-37H,6-7,12-13,15-16,18-26H2,1H3,(H3-,39,40,41,42,45,46,47)/p+1/t29-,33-,36-,37-/m0/s1","","2016-08-23","2017-05-19","4-{[(2S)-3-{2,16-dioxo-20-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium","2017-05-24"],["74H","1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide","C20 H19 N9 O","Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5ccc(n5)C(N)=O;Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5","InChI=1S/C20H19N9O/c1-28-19(20(8-9-20)12-5-3-2-4-6-12)25-17(27-28)14-11-23-15(21)18(24-14)29-10-7-13(26-29)16(22)30/h2-7,10-11H,8-9H2,1H3,(H2,21,23)(H2,22,30)","","2016-08-24","2017-04-14","1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide","2017-04-19"],["MY4","(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID","C14 H19 N3 O5","O=C(O)CN(N)C(=O)CC(O)C(=O)NCCc1ccccc1;NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCCc1ccccc1;c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O","InChI=1S/C14H19N3O5/c15-17(9-13(20)21)12(19)8-11(18)14(22)16-7-6-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2,(H,16,22)(H,20,21)/t11-/m0/s1","","2006-05-22","2011-06-04","(1-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid",""],["MY5","{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID","C16 H22 N4 O6","O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C;C[CH](NC(=O)[CH](O)CC(=O)N(N)CC(O)=O)C(=O)NCc1ccccc1;CC(C(=O)NCc1ccccc1)NC(=O)C(CC(=O)N(CC(=O)O)N)O","InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1","","2006-05-22","2024-09-27","{1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid",""],["74I","(Z)-2,3-bis(oxidanyl)prop-2-enoic acid","C3 H4 O4","OC=C(O)C(O)=O;C(=C(C(=O)O)O)O","InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1,4-5H,(H,6,7)/b2-1-","2,3-dihydroxyacrylic acid; 2,3-dihydroxyprop-2-enoic acid; 67573738","2021-08-04","2022-08-05","(~{Z})-2,3-bis(oxidanyl)prop-2-enoic acid","2022-08-10"],["74J","1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide","C20 H19 N9 O","Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5cc(cn5)C(N)=O;Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5","InChI=1S/C20H19N9O/c1-28-19(20(7-8-20)13-5-3-2-4-6-13)26-17(27-28)14-10-23-15(21)18(25-14)29-11-12(9-24-29)16(22)30/h2-6,9-11H,7-8H2,1H3,(H2,21,23)(H2,22,30)","","2016-08-24","2017-04-14","1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide","2017-04-19"],["MY6","2-amino-7-methyl-1,7-dihydro-6H-purin-6-one","C6 H7 N5 O","O=C1c2c(N=C(N1)N)ncn2C;Cn1cnc2N=C(N)NC(=O)c12;Cn1cnc2c1C(=O)NC(=N2)N","InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)","","2010-05-12","2011-06-04","2-amino-7-methyl-1,7-dihydro-6H-purin-6-one",""],["MY7","2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid","C18 H14 N4 O3","CC1=NN(C(=O)[CH]1c2ccccc2)c3[nH]c4cc(ccc4n3)C(O)=O;CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O","InChI=1S/C18H14N4O3/c1-10-15(11-5-3-2-4-6-11)16(23)22(21-10)18-19-13-8-7-12(17(24)25)9-14(13)20-18/h2-9,15H,1H3,(H,19,20)(H,24,25)/t15-/m0/s1","","2018-04-03","2019-04-05","2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid","2019-04-10"],["74K","4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide","C20 H19 N9 O","Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)c5cnn(c5)C(N)=O;Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5","InChI=1S/C20H19N9O/c1-28-18(20(7-8-20)13-5-3-2-4-6-13)26-17(27-28)14-10-23-16(21)15(25-14)12-9-24-29(11-12)19(22)30/h2-6,9-11H,7-8H2,1H3,(H2,21,23)(H2,22,30)","","2016-08-24","2017-04-14","4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide","2017-04-19"],["74L","4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide","C21 H23 N9 O2 S","CN(C)[S](=O)(=O)n1cc(cn1)c2nc(cnc2N)c3nn(C)c(n3)C4(CC4)c5ccccc5;Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5","InChI=1S/C21H23N9O2S/c1-28(2)33(31,32)30-13-14(11-24-30)17-18(22)23-12-16(25-17)19-26-20(29(3)27-19)21(9-10-21)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23)","","2016-08-24","2017-04-14","4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide","2017-04-19"],["MY8","Mycinamicin VIII","C29 H49 N O6","CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)[CH](O)C=CC=C[CH]1C;CCC1C(C=CC=CC(C(CC(C(C(C=CC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)O)C","InChI=1S/C29H49NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-25,27-29,31,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,24+,25+,27+,28+,29-/m0/s1","","2015-11-22","2016-07-22","(3E,5S,6S,7S,9R,10S,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,7,9,15-tetramethyl-10-oxidanyl-1-oxacyclohexadeca-3,11,13-trien-2-one","2016-07-27"],["74M","METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE","C19 H31 N3 O6","O=C(NCCC)C2OC2C(=O)NC(C(=O)N1C(C(=O)OC)CCC1)C(C)CC;CCCNC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(=O)N2CCC[CH]2C(=O)OC;CCCNC(=O)C1C(O1)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)OC","InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1","CA074ME; N-(L-3-TRANS-PROPYLCARBAMOYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE METHYL ESTER","2006-01-05","2024-09-27","methyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate",""],["MY9","N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE","C33 H40 F N5 O6 S","O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4ccccc4)(C)C;C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH]3NC(C)(C)N(C)C3=O)N(C)[S](C)(=O)=O)c4ccc(F)cc4;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(C4C(=O)N(C(N4)(C)C)C)O","InChI=1S/C33H40FN5O6S/c1-20(22-12-14-25(34)15-13-22)35-30(41)23-17-24(19-26(18-23)39(5)46(6,44)45)31(42)36-27(16-21-10-8-7-9-11-21)29(40)28-32(43)38(4)33(2,3)37-28/h7-15,17-20,27-29,37,40H,16H2,1-6H3,(H,35,41)(H,36,42)/t20-,27+,28+,29+/m1/s1","","2007-03-28","2011-06-04","N-{(1S,2S)-1-benzyl-2-hydroxy-2-[(4S)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide",""],["74N","4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide","C23 H21 N7 O","Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)c5ccc(cc5)C(N)=O;Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5","InChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31)","","2016-08-24","2017-04-14","4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide","2017-04-19"],["MYA","TETRADECANOYL-COA","C35 H62 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1","MYRISTOYL-COA","2001-04-23","2024-09-27","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)",""],["MYB","Decarboxylated Myriocin","C20 H39 N O4","O=C(CCCCCC)CCCCCC/C=C/CC(O)C(O)C(N)CO;CCCCCCC(=O)CCCCCCC=CC[CH](O)[CH](O)[CH](N)CO;CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)N)O)O","InChI=1S/C20H39NO4/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-19(24)20(25)18(21)16-22/h9,12,18-20,22,24-25H,2-8,10-11,13-16,21H2,1H3/b12-9+/t18-,19+,20+/m0/s1","","2013-03-22","2014-09-05","(14E,17R,18R,19S)-19-amino-17,18,20-trihydroxyicos-14-en-7-one","2013-09-04"],["74O","5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine","C19 H18 N8","Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)c5c[nH]nc5;Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5","InChI=1S/C19H18N8/c1-27-18(19(7-8-19)13-5-3-2-4-6-13)25-17(26-27)14-11-21-16(20)15(24-14)12-9-22-23-10-12/h2-6,9-11H,7-8H2,1H3,(H2,20,21)(H,22,23)","","2016-08-24","2017-04-14","5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine","2017-04-19"],["74P","(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine","C11 H18 N2 O5","C(C/C(=NCCCCC(N)C(O)=O)C(=O)O)(C)=O;CC(=O)CC(=NCCCC[CH](N)C(O)=O)C(O)=O;CC(=O)CC(=NCCCCC(C(=O)O)N)C(=O)O","InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1","","2016-08-24","2024-09-27","(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine","2016-10-05"],["MYC","3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE","C15 H10 O8","O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O;Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O;c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H","2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; 3,3',4',5,5',7-HEXAHYDROXYFLAVONE; MYRICETIN;\nCANNABISCETIN","2000-10-04","2020-06-17","3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one",""],["74Q","3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine","C22 H19 N9","Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5nnc6ccccc56;Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6","InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)","","2016-08-24","2017-04-07","3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine","2017-04-12"],["MYD","{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID\nMONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER","C23 H29 N5 O13 P2","O=C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;COc1c(C)c2COC(=O)c2c(O)c1CCO[P](O)(=O)C[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;Cc1c2c(c(c(c1OC)CCOP(=O)(CP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2","InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1","C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE","2002-12-20","2020-06-17","5'-O-[(R)-hydroxy({(S)-hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine",""],["MYE","N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE","C20 H29 Br N2 O4","Brc1ccc(cc1)COC(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C;CCCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccc(Br)cc1)C=O;CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccc(cc1)Br","InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1","","2004-03-12","2024-09-27","N~2~-{[(4-bromobenzyl)oxy]carbonyl}-N-[(1S)-1-formylpentyl]-L-leucinamide",""],["74S","9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole ","C31 H34 N5","C[N+]1(CCc2ccccc2)[CH]3CC[CH]1C[CH](C3)n4cc(Cn5c6ccccc6c7ccccc57)nn4;C[N+]1(C2CCC1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7","InChI=1S/C31H34N5/c1-36(18-17-23-9-3-2-4-10-23)26-15-16-27(36)20-25(19-26)35-22-24(32-33-35)21-34-30-13-7-5-11-28(30)29-12-6-8-14-31(29)34/h2-14,22,25-27H,15-21H2,1H3/q+1/t25-,26-,27+,36+","","2016-10-20","2016-10-28","9-[[1-[(1~{S},5~{R})-8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-1,2,3-triazol-4-yl]methyl]carbazole","2016-11-02"],["MYF","5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE","C15 H10 O7","O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O;Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3;c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H","2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE; PENTAHYDROXYFLAVONE","2006-12-22","2020-06-17","5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one",""],["74T","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl\n{(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p\nhenylbutan-2-yl}carbamate","C38 H53 N5 O7 S2","O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5nc(NC6CCN(CC6)C7CCCC7)sc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7","InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1","TMC310911","2011-03-22","2020-06-17","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate",""],["74U","N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine","C19 H15 N3 O","c2(nc(NCc1ccco1)c3c(n2)cccc3)c4ccccc4;C(Nc1nc(nc2ccccc12)c3ccccc3)c4occc4;c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4","InChI=1S/C19H15N3O/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)","","2016-08-24","2016-10-28","N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine","2016-11-02"],["MYG","(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside","C12 H23 N O10","O(C1C(O)C(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2N)CO;N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O;C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)O)O)O","InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1","GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL; (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl\n2-amino-2-deoxy-alpha-D-glucoside; (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-D-glucoside;\n(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-glucoside","1999-07-08","2020-07-17","(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["74V","N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide","C18 H25 N5 O2","N(CC)(C(c1cnc(nc1NCc2ccco2)C)=O)C3CNCCC3;CCN([CH]1CCCNC1)C(=O)c2cnc(C)nc2NCc3occc3;CCN(C1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C","InChI=1S/C18H25N5O2/c1-3-23(14-6-4-8-19-10-14)18(24)16-12-20-13(2)22-17(16)21-11-15-7-5-9-25-15/h5,7,9,12,14,19H,3-4,6,8,10-11H2,1-2H3,(H,20,21,22)/t14-/m0/s1","","2016-08-24","2016-10-28","N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide","2016-11-02"],["MYI","(5-methoxy-1H-indol-3-yl)acetic acid","C11 H11 N O3","COc1ccc2[nH]cc(CC(O)=O)c2c1;COc1ccc2c(c1)c(c[nH]2)CC(=O)O","InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)","5-methoxy-indole acetate","2010-02-08","2020-06-17","2-(5-methoxy-1H-indol-3-yl)ethanoic acid",""],["74W","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea","C18 H18 Cl F3 N4 O4 S","FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O;CC1=CN([CH]2C[CH](O)[CH](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O","InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1","(THIO)UREA-BETA-DEOXYTHYMIDINE DERIVATIVE","2012-10-24","2021-03-01","5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine","2013-07-24"],["MYJ","2-methyl-4-nitrophenol","C7 H7 N O3","Cc1c(O)ccc(c1)N(=O)=O;Cc1cc(ccc1O)[N](=O)=O;Cc1cc(ccc1O)N(=O)=O","InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3","","2019-04-24","2019-09-06","2-methyl-4-nitrophenol","2019-09-11"],["74X","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol\nan-2-yl]methyl]thiourea","C18 H18 Cl F3 N4 O4 S","FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O;CC1=CN([CH]2C[CH](O)[CH](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O","InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1","(THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE","2012-10-24","2020-06-17","5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine","2013-07-24"],["MYK","N~6~-tetradecanoyl-L-lysine","C20 H40 N2 O3","O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)NCCCC[CH](N)C(O)=O;CCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N","InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1","N6-myristoyl lysine","2011-10-17","2024-09-27","N~6~-tetradecanoyl-L-lysine",""],["74Y","(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone","C18 H23 N3 O2","c2c(c(NCc1ccco1)nc(C)c2)C(=O)N3CCCCCC3;Cc1ccc(C(=O)N2CCCCCC2)c(NCc3occc3)n1;Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3","InChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)","","2016-08-24","2016-10-28","(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone","2016-11-02"],["MYL","Mycalamide A","C24 H41 N O10","O=C(NC2OCOC1C(OC)C(C(OC12)CC(O)CO)(C)C)C(O)C3(OC)OC(C)C(C(=C)/C3)C;CO[CH]1[CH]2OCO[CH](NC(=O)[CH](O)[C]3(CC(=C)[CH](C)[CH](C)O3)OC)[CH]2O[CH](C[CH](O)CO)C1(C)C;CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)O)(C)C)OC)OCO2)O)OC)C","InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16-,17+,18+,19-,20-,22-,24-/m1/s1","(2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide","2009-08-21","2021-03-13","(2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide (non-preferred name)",""],["74Z","N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","C15 H15 N3 O S","c1nc(c2c(n1)sc3CCCCc23)NCc4ccco4;C1CCc2c(C1)sc3ncnc(NCc4occc4)c23;c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4","InChI=1S/C15H15N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)16-8-10-4-3-7-19-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18)","","2016-08-24","2016-10-28","N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","2016-11-02"],["MYM","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate","C31 H51 N2 O9 P S","C(CNC(CCNC(C(C(COP(O)(O)=O)(C)C)O)=O)=O)SC(=O)C1(C)CCCC4(C)C1CC(O)C32C4CC(/C(C2)=C)CC3;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)[C]1(C)CCC[C]2(C)[CH]1C[CH](O)[C]34CC[CH](C[CH]23)C(=C)C4;CC12CCCC(C1CC(C34C2CC(CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C31H51N2O9PS/c1-19-17-31-11-7-20(19)15-22(31)29(4)9-6-10-30(5,21(29)16-23(31)34)27(38)44-14-13-32-24(35)8-12-33-26(37)25(36)28(2,3)18-42-43(39,40)41/h20-23,25,34,36H,1,6-18H2,2-5H3,(H,32,35)(H,33,37)(H2,39,40,41)/t20-,21-,22-,23+,25-,29+,30+,31+/m0/s1","","2019-04-24","2019-07-19","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate","2019-07-24"],["750","5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE","C40 H47 N5 O7","O=C3CN(C(=O)Cc2cccc(c1ncccc1)c2)CCCC3NC(=O)C(NC(=O)c6oc5c(cc(OCCN4CCOCC4)cc5)c6)CC(C)C;CC(C)C[CH](NC(=O)c1oc2ccc(OCCN3CCOCC3)cc2c1)C(=O)N[CH]4CCCN(CC4=O)C(=O)Cc5cccc(c5)c6ccccn6;CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6","InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1","","2003-01-07","2024-09-27","N-[(1S)-3-methyl-1-({(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide",""],["MYN","(2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid","C6 H12 N4 O2","N[CH]([CH]1CCNC(=N1)N)C(O)=O;C1CNC(=NC1C(C(=O)O)N)N","InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1","","2010-02-12","2024-09-27","(2S)-2-azanyl-2-[(4R)-2-azanyl-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid",""],["MYO","4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid","C5 H5 N3 O4","Nc1c([nH]nc1C(O)=O)C(O)=O;c1(c([nH]nc1C(=O)O)C(=O)O)N","InChI=1S/C5H5N3O4/c6-1-2(4(9)10)7-8-3(1)5(11)12/h6H2,(H,7,8)(H,9,10)(H,11,12)","","2022-08-09","2023-09-23","4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid","2022-09-07"],["751","2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE","C28 H28 N4 O4 S","O=S(=O)(c2cc(c1ccc(OC)cc1)ccc2)N5CCN(c3nccnc3c4ccc(OC)cc4)CC5;COc1ccc(cc1)c2cccc(c2)[S](=O)(=O)N3CCN(CC3)c4nccnc4c5ccc(OC)cc5;COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC","InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3","","2012-03-22","2014-09-05","2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine",""],["MYP","4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE","C31 H42 N4 O5 S","O=S(=O)(c1ccccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC2)CC3)Cc4ccccc4)CCC;CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)N2CC[CH](CC2)N3CCOCC3)C=C[S](=O)(=O)c4ccccc4;CCCC(C=CS(=O)(=O)c1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4","InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1","","2002-10-07","2011-06-04","Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide",""],["752","2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid","C18 H13 N5 O3 S2","OC(=O)c1ccccc1c2[nH]c(SCC(=O)Nc3sc4ccccc4n3)nn2;c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O","InChI=1S/C18H13N5O3S2/c24-14(20-17-19-12-7-3-4-8-13(12)28-17)9-27-18-21-15(22-23-18)10-5-1-2-6-11(10)16(25)26/h1-8H,9H2,(H,25,26)(H,19,20,24)(H,21,22,23)","","2016-08-25","2016-11-04","2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid","2016-11-09"],["753","5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid","C17 H17 N3 O2 S","c1(C)c(C(=O)O)sc2c1c(nc(n2)CCc3ccccc3)NC;CNc1nc(CCc2ccccc2)nc3sc(C(O)=O)c(C)c13;Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC","InChI=1S/C17H17N3O2S/c1-10-13-15(18-2)19-12(9-8-11-6-4-3-5-7-11)20-16(13)23-14(10)17(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)(H,18,19,20)","","2016-08-25","2017-02-17","5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid","2017-02-22"],["MYQ","(S)-(1,2-DICARBOXYETHYLTHIO)GOLD","C4 H5 Au O4 S","O=C(O)CC(S[Au])C(=O)O;OC(=O)C[CH](S[Au])C(O)=O;C(C(C(=O)O)S[Au])C(=O)O","InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-1/t2-;/m0./s1","MYOCRISIN","2005-09-07","2021-03-01","gold(1+) (1S)-1,2-dicarboxyethanethiolate",""],["754","(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid","C26 H36 O3","O=C(O)C=C(C=CC=C(/c1c(OCCC)cc2c(c1)C(CCC2(C)C)(C)C)C)C;CCCOc1cc2c(cc1C(C)=CC=CC(C)=CC(O)=O)C(C)(C)CCC2(C)C;CCCOc1cc2c(cc1C(=CC=CC(=CC(=O)O)C)C)C(CCC2(C)C)(C)C","InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-","","2009-10-29","2011-06-04","(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid",""],["MYR","MYRISTIC ACID","C14 H28 O2","O=C(O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCC(=O)O","InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)","","1999-07-07","2025-02-18","tetradecanoic acid",""],["MYS","PENTADECANE","C15 H32","C(CCCCCC)CCCCCCCC;CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCC","InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3","","2000-06-22","2011-06-04","pentadecane",""],["755","4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid","C18 H25 Cl N2 O3","OC(=O)c2c(NCC1C(CCC1)NC(C(C)(C)C)=O)cc(Cl)cc2;CC(C)(C)C(=O)N[CH]1CCC[CH]1CNc2cc(Cl)ccc2C(O)=O;CC(C)(C)C(=O)NC1CCCC1CNc2cc(ccc2C(=O)O)Cl","InChI=1S/C18H25ClN2O3/c1-18(2,3)17(24)21-14-6-4-5-11(14)10-20-15-9-12(19)7-8-13(15)16(22)23/h7-9,11,14,20H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)/t11-,14-/m0/s1","","2016-08-25","2017-02-24","4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid","2017-03-01"],["MYT","METYRAPONE","C14 H14 N2 O","O=C(c1cccnc1)C(c2cccnc2)(C)C;CC(C)(c1cccnc1)C(=O)c2cccnc2;CC(C)(c1cccnc1)C(=O)c2cccnc2","InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3","","1999-07-08","2011-06-04","2-methyl-1,2-dipyridin-3-ylpropan-1-one",""],["756","[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone","C22 H21 N3 O2","O=C(c1ccc2oc(cc2c1)C)N3CC(CCC3)c4nc5c(n4)cccc5;Cc1oc2ccc(cc2c1)C(=O)N3CCC[CH](C3)c4[nH]c5ccccc5n4;Cc1cc2cc(ccc2o1)C(=O)N3CCCC(C3)c4[nH]c5ccccc5n4","InChI=1S/C22H21N3O2/c1-14-11-17-12-15(8-9-20(17)27-14)22(26)25-10-4-5-16(13-25)21-23-18-6-2-3-7-19(18)24-21/h2-3,6-9,11-12,16H,4-5,10,13H2,1H3,(H,23,24)/t16-/m0/s1","2-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-1,3-benzodiazole","2016-04-04","2021-03-13","[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone","2017-01-25"],["MYU","3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE","C15 H10 O8","O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2;Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2;c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O","InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H","2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE;\n2-(3,4-DIHYDROXYPHENYL)-4H-CHROMENE-3,5,6,7-TETRAOL; QUERCETAGETIN","2007-07-10","2020-06-17","2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one",""],["757","5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid","C42 H45 F2 N5 O12 S","O=C(O)c1cc(cc(C(=O)O)c1)NC(=O)C(NC(=O)CC(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccccc2)C)c3)COc4cc(F)cc(F)c4)C(C)C;CC(C)[CH](NC(=O)C[CH](O)[CH](COc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)Nc4cc(cc(c4)C(O)=O)C(O)=O;CC(C)C(C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O","InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35-,37+/m1/s1","","2008-07-03","2011-06-04","5-{[(2S)-2-{[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-{[(3-[methyl(methylsulfonyl)amino]-5-{[(1R)-1-phenylethyl]carbamoyl}phenyl)carbonyl]amino}pentanoyl]amino}-3-methylbutanoyl]amino}benzene-1,3-dicarboxylic acid (non-preferred name)",""],["MYV","MYCINAMICIN V","C37 H61 N O12","CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=CC=C[C]1(O)CO[CH]3O[CH](C)[CH](O)[CH](OC)[CH]3OC;CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C(C(C(C(O3)C)O)OC)OC)O","InChI=1S/C37H61NO12/c1-11-28-37(43,20-46-36-34(45-10)33(44-9)30(41)25(6)48-36)17-13-12-14-27(39)22(3)18-23(4)32(21(2)15-16-29(40)49-28)50-35-31(42)26(38(7)8)19-24(5)47-35/h12-17,21-26,28,30-36,41-43H,11,18-20H2,1-10H3/b14-12+,16-15+,17-13+/t21-,22+,23-,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+,37-/m0/s1","","2011-01-15","2012-01-27","(3E,5S,6S,7S,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione",""],["758","2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide","C16 H19 Cl N4 O2","c1(ccc(c(c1)C(=O)Nc2nccn2)Cl)CNC(=O)C(C)(C)C;CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc2[nH]ccn2;CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl","InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)","","2016-08-25","2017-02-24","2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide","2017-03-01"],["MYW"," Nidocarborane","C5 H8 B9 N O2 S","N[S](=O)(=O)CCC[C+]123[B]45[B+]67[B-]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B31B823B966B744B622C45[C+]321CCCS(=O)(=O)N","InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12/h1-3H2,(H2,15,16,17)/q+1","","2019-10-29","2020-06-12","","2020-06-17"],["759","(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C49 H60 Cl N9 O8 S2","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCOCCOCC(=O)N[CH](C(=O)N4C[CH](O)C[CH]4C(=O)NCc5ccc(cc5)c6scnc6C)C(C)(C)C)N=C(c7ccc(Cl)cc7)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NCc5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C","InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1","","2016-08-26","2025-12-15","(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-03-08"],["MYX","(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID\nE","C25 H33 N3 O3 S2","O=C(N)C=C(OC)C(C)C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(C=CC=CC(C)C)C;CO[CH](C=Cc1csc(n1)c2csc(n2)[CH](C)C=CC=CC(C)C)[CH](C)C(OC)=CC(N)=O;CC(C)C=CC=CC(C)c1nc(cs1)c2nc(cs2)C=CC(C(C)C(=CC(=O)N)OC)OC","InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1","7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE;\nMYXOTHIAZOL","2004-03-29","2020-06-17","(2E,4R,5S,6E)-7-{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamide",""],["75A","N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide","C24 H28 F2 I N4 O7 P","O=C(c1cc(I)ccc1)NCCCC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccc(cc2)C(F)(F)P(=O)(O)O;CC(=O)N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(=O)N[CH](CCCNC(=O)c2cccc(I)c2)C(N)=O;CC(=O)NC(Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)NC(CCCNC(=O)c2cccc(c2)I)C(=O)N","InChI=1S/C24H28F2IN4O7P/c1-14(32)30-20(12-15-7-9-17(10-8-15)24(25,26)39(36,37)38)23(35)31-19(21(28)33)6-3-11-29-22(34)16-4-2-5-18(27)13-16/h2,4-5,7-10,13,19-20H,3,6,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,32)(H,31,35)(H2,36,37,38)/t19-,20-/m0/s1","","2012-08-10","2012-10-26","N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide","2012-10-26"],["MYY","(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE","C33 H65 O8 P","O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC","InChI=1S/C33H65O8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(34)39-29-31(30-40-42(36,37)38)41-33(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H2,36,37,38)/t31-/m1/s1","","2003-09-08","2011-06-04","(2R)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl hexadecanoate",""],["75B","5-selenophen-2-yluridine 5'-(dihydrogen phosphate)","C13 H15 N2 O9 P Se","P(OCC1OC(C(C1O)O)N2C(NC(=O)C(=C2)c3ccc[se]3)=O)(O)(O)=O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3;c1cc([se]c1)C2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C13H15N2O9PSe/c16-9-7(5-23-25(20,21)22)24-12(10(9)17)15-4-6(8-2-1-3-26-8)11(18)14-13(15)19/h1-4,7,9-10,12,16-17H,5H2,(H,14,18,19)(H2,20,21,22)/t7-,9-,10-,12-/m1/s1","","2016-08-26","2017-06-30","5-selenophen-2-yluridine 5'-(dihydrogen phosphate)","2017-07-05"],["MYZ","Myristoleic acid","C14 H26 O2","O=C(O)CCCCCCCC=C/CCCC;CCCCC=CCCCCCCCC(O)=O;CCCCC=CCCCCCCCC(=O)O","InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-","Z-tetradec-9-enoic acid","2014-09-05","2021-03-01","(9Z)-tetradec-9-enoic acid","2015-02-25"],["75C","5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine","C25 H44 N9 O13 P S2","O=P(O)(O)OCC(C(C(NCCC(NCCSC(C(N)CO)CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)=O)=O)O)(C)C;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH](N)CO;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(CO)N)O","InChI=1S/C25H44N9O13PS2/c1-25(2,10-46-48(41,42)43)20(39)23(40)29-4-3-16(36)28-5-6-49-15(13(26)8-35)9-50(44,45)33-7-14-18(37)19(38)24(47-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)(H2,41,42,43)/t13-,14+,15-,18+,19+,20-,24+/m0/s1","","2016-08-26","2024-09-27","5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine","2016-09-14"],["MZ0","1H-imidazol-5-ylmethanol","C4 H6 N2 O","OCc1cncn1;OCc1[nH]cnc1;c1c([nH]cn1)CO","InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)","4(5)-(hydroxymethyl)imidazole","2012-10-26","2020-06-17","1H-imidazol-5-ylmethanol","2013-10-23"],["75D","2,4,6-tri(propan-2-yl)benzenesulfonic acid","C15 H24 O3 S","O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C;CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](O)(=O)=O;CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C","InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)","2,4,6-triisopropylbenzenesulfonic acid","2013-12-13","2020-06-17","2,4,6-tri(propan-2-yl)benzenesulfonic acid","2014-11-19"],["MZ1","N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE","C26 H28 F3 N3 O5 S2","O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)C(NC(=O)C)C)Cc2ccccc2)c3cc(F)c(F)cc3F;C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[CH](O)CN(Cc2sccc2)[S](=O)(=O)c3cc(F)c(F)cc3F;CC(C(=O)NC(Cc1ccccc1)C(CN(Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C","InChI=1S/C26H28F3N3O5S2/c1-16(30-17(2)33)26(35)31-23(11-18-7-4-3-5-8-18)24(34)15-32(14-19-9-6-10-38-19)39(36,37)25-13-21(28)20(27)12-22(25)29/h3-10,12-13,16,23-24,34H,11,14-15H2,1-2H3,(H,30,33)(H,31,35)/t16-,23-,24+/m0/s1","","2007-07-12","2011-06-04","N~2~-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-L-alaninamide",""],["75E","7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C19 H14 N6 O S","C1=CC(=CNC1=O)c2c(scc2)c4cc(NC3CC3)n5c(n4)c(cn5)C#N;O=C1NC=C(C=C1)c2ccsc2c3cc(NC4CC4)n5ncc(C#N)c5n3;c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C19H14N6OS/c20-8-12-10-22-25-16(23-13-2-3-13)7-15(24-19(12)25)18-14(5-6-27-18)11-1-4-17(26)21-9-11/h1,4-7,9-10,13,23H,2-3H2,(H,21,26)","","2016-08-26","2017-11-17","7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2017-11-22"],["75F","(4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one","C20 H23 N3 O","CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4;CC[C]1([CH]2C(=O)CC(C)(C)CC2=Nc3[nH]ncc13)c4ccccc4;CCC1(c2cn[nH]c2N=C3C1C(=O)CC(C3)(C)C)c4ccccc4","InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1","","2016-08-26","2019-05-08","(4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one","2018-02-21"],["MZ2","(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE","C26 H24 F6 N2 O4 S2","O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)C=C(/C)C(F)(F)F)Cc2ccccc2)c3cc(F)c(F)cc3F;CC(=CC(=O)N[CH](Cc1ccccc1)[CH](O)CN(Cc2sccc2)[S](=O)(=O)c3cc(F)c(F)cc3F)C(F)(F)F;CC(=CC(=O)NC(Cc1ccccc1)C(CN(Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)C(F)(F)F","InChI=1S/C26H24F6N2O4S2/c1-16(26(30,31)32)10-25(36)33-22(11-17-6-3-2-4-7-17)23(35)15-34(14-18-8-5-9-39-18)40(37,38)24-13-20(28)19(27)12-21(24)29/h2-10,12-13,22-23,35H,11,14-15H2,1H3,(H,33,36)/b16-10+/t22-,23+/m0/s1","","2007-07-12","2011-06-04","(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide",""],["MZ3","N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE","C30 H31 F N2 O5 S2","O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2cccc(F)c2C)Cc3ccccc3)c4cccc(OC)c4;COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4;Cc1c(cccc1F)C(=O)NC(Cc2ccccc2)C(CN(Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O","InChI=1S/C30H31FN2O5S2/c1-21-26(14-7-15-27(21)31)30(35)32-28(17-22-9-4-3-5-10-22)29(34)20-33(19-24-12-8-16-39-24)40(36,37)25-13-6-11-23(18-25)38-2/h3-16,18,28-29,34H,17,19-20H2,1-2H3,(H,32,35)/t28-,29+/m0/s1","","2007-07-12","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide",""],["75G","(2S,4aR,6R,7R,7aS)-6-(6-amino-2-chloro-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one","C10 H11 Cl N5 O5 P S","c4(nc3n(C2OC1COP(S)(=O)OC1C2O)cnc3c(N)n4)Cl;Nc1nc(Cl)nc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]4[CH]3O;c1nc2c(nc(nc2n1C3C(C4C(O3)COP(=O)(O4)S)O)Cl)N","InChI=1S/C10H11ClN5O5PS/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,14,15)/t3-,5-,6-,9-,22+/m1/s1","Sp-2-Cl-cAMPS; 2-Chloroadenosine-3', 5'-cyclic monophosphorothioate, Sp-isomer","2016-08-29","2020-02-12","(2S,4aR,6R,7R,7aS)-6-(6-amino-2-chloro-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one","2016-10-12"],["MZ4","N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE","C29 H30 N2 O7 S2","O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2ccc(O)c(O)c2)Cc3ccccc3)c4cccc(OC)c4;COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH](Cc2ccccc2)NC(=O)c3ccc(O)c(O)c3)Cc4sccc4;COc1cccc(c1)S(=O)(=O)N(Cc2cccs2)CC(C(Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O","InChI=1S/C29H30N2O7S2/c1-38-22-9-5-11-24(17-22)40(36,37)31(18-23-10-6-14-39-23)19-28(34)25(15-20-7-3-2-4-8-20)30-29(35)21-12-13-26(32)27(33)16-21/h2-14,16-17,25,28,32-34H,15,18-19H2,1H3,(H,30,35)/t25-,28+/m0/s1","","2007-07-12","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino}propyl]-3,4-dihydroxybenzamide",""],["75H","N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","C31 H29 F N4 O5","COc1cc2c(cc1)c(ccn2)Oc3c(F)cc(cc3)NC(=O)C=4C(=O)N(N(C=4C)CC(C)(C)O)c5ccccc5;COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CC(C)(C)O)N(C4=O)c5ccccc5)cc3F)ccnc2c1;CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC","InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37)","","2016-08-29","2016-09-16","N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","2016-09-21"],["MZ5","(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE","C27 H37 N3 O5 S2","O=C(NC(Cc1ccccc1)C(O)CN(CC(C)CC)S(=O)(=O)c2ccc3ncsc3c2)C(O)C(C)C;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](O)C(C)C)[S](=O)(=O)c2ccc3ncsc3c2;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)C(C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3","InChI=1S/C27H37N3O5S2/c1-5-19(4)15-30(37(34,35)21-11-12-22-25(14-21)36-17-28-22)16-24(31)23(13-20-9-7-6-8-10-20)29-27(33)26(32)18(2)3/h6-12,14,17-19,23-24,26,31-32H,5,13,15-16H2,1-4H3,(H,29,33)/t19-,23-,24+,26-/m0/s1","","2007-07-12","2011-06-04","(2S)-N-[(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide",""],["75I","DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate","C7 H17 O15 P3","OC[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)O","InChI=1S/C7H17O15P3/c8-1-2-3(9)6(21-24(14,15)16)4(10)7(22-25(17,18)19)5(2)20-23(11,12)13/h2-10H,1H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5+,6+,7+/m0/s1","[(1R,2S,3S,4R,5S,6R)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2023-07-12","2024-02-23","[(1~{R},2~{S},3~{S},4~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2024-02-28"],["75J","2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile","C24 H24 N8 O","c1cc(c(cc1)CN2C(c4c(n3ccnc23)nc(n4CC#CC)N5CC(CCC5)N)=O)C#N;CC#CCn1c(nc2n3ccnc3N(Cc4ccccc4C#N)C(=O)c12)N5CCC[CH](N)C5;CC#CCn1c2c(nc1N3CCCC(C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N","InChI=1S/C24H24N8O/c1-2-3-12-30-20-21(28-24(30)29-11-6-9-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-5-4-7-17(18)14-25/h4-5,7-8,10,13,19H,6,9,11-12,15-16,26H2,1H3/t19-/m1/s1","","2016-08-30","2016-09-30","2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile","2016-10-05"],["MZ6","N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE","C29 H33 N3 O5 S2","O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC(C)CC)S(=O)(=O)c3ccc4ncsc4c3;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)[S](=O)(=O)c3ccc4ncsc4c3;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4","InChI=1S/C29H33N3O5S2/c1-3-20(2)17-32(39(36,37)24-12-13-25-28(16-24)38-19-30-25)18-27(34)26(14-21-8-5-4-6-9-21)31-29(35)22-10-7-11-23(33)15-22/h4-13,15-16,19-20,26-27,33-34H,3,14,17-18H2,1-2H3,(H,31,35)/t20-,26-,27+/m0/s1","","2007-07-12","2011-06-04","N-[(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide",""],["MZ7","N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE","C29 H40 N4 O5 S2","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(CCCCC)S(=O)(=O)c2ccc3ncsc3c2)C(C)C)C;CCCCCN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(C)=O)C(C)C)[S](=O)(=O)c2ccc3ncsc3c2;CCCCCN(CC(C(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3","InChI=1S/C29H40N4O5S2/c1-5-6-10-15-33(40(37,38)23-13-14-24-27(17-23)39-19-30-24)18-26(35)25(16-22-11-8-7-9-12-22)32-29(36)28(20(2)3)31-21(4)34/h7-9,11-14,17,19-20,25-26,28,35H,5-6,10,15-16,18H2,1-4H3,(H,31,34)(H,32,36)/t25-,26+,28-/m0/s1","","2007-07-12","2011-06-04","N~2~-acetyl-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-L-valinamide",""],["75K","2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE","C8 H7 N O3","CC1=Cc2oc(C)nc2C(=O)O1;Cc1nc2c(o1)C=C(OC2=O)C","InChI=1S/C8H7NO3/c1-4-3-6-7(8(10)11-4)9-5(2)12-6/h3H,1-2H3","","2016-03-14","2016-04-08","2,6-dimethylpyrano[3,4-d][1,3]oxazol-4-one","2016-04-13"],["MZ8","N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE","C28 H31 N3 O5 S2","O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4ncsc4c3;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)[S](=O)(=O)c3ccc4ncsc4c3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4","InChI=1S/C28H31N3O5S2/c1-19(2)16-31(38(35,36)23-11-12-24-27(15-23)37-18-29-24)17-26(33)25(13-20-7-4-3-5-8-20)30-28(34)21-9-6-10-22(32)14-21/h3-12,14-15,18-19,25-26,32-33H,13,16-17H2,1-2H3,(H,30,34)/t25-,26+/m0/s1","","2007-07-12","2011-06-04","N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide",""],["75L","2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one","C27 H31 N9 O","C=21N(CCCN1c3c(C(N=2)=O)n(CC#CC)c(n3)N4CC(CCC4)N)Cc5nc6c(c(n5)C)cccc6;CC#CCn1c(nc2N3CCCN(Cc4nc(C)c5ccccc5n4)C3=NC(=O)c12)N6CCC[CH](N)C6;CC#CCn1c2c(nc1N3CCCC(C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C","InChI=1S/C27H31N9O/c1-3-4-14-35-23-24(31-26(35)33-12-7-9-19(28)16-33)36-15-8-13-34(27(36)32-25(23)37)17-22-29-18(2)20-10-5-6-11-21(20)30-22/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3/t19-/m1/s1","","2016-08-30","2016-09-30","2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one","2016-10-05"],["MZ9","N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE","C28 H40 N2 O6 S","O=C(CC)CCC(=O)NC(Cc1ccccc1)C(O)CN(S(=O)(=O)c2ccc(OC)cc2)CC(C)CC;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)CCC(=O)CC)[S](=O)(=O)c2ccc(OC)cc2;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC","InChI=1S/C28H40N2O6S/c1-5-21(3)19-30(37(34,35)25-15-13-24(36-4)14-16-25)20-27(32)26(18-22-10-8-7-9-11-22)29-28(33)17-12-23(31)6-2/h7-11,13-16,21,26-27,32H,5-6,12,17-20H2,1-4H3,(H,29,33)/t21-,26-,27+/m0/s1","","2007-07-12","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]-4-oxohexanamide",""],["75M","4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile","C24 H24 N8 O","c12n5ccnc5N(C(c1n(c(n2)N3CC(CCC3)N)CC#CC)=O)Cc4ccc(C#N)cc4;CC#CCn1c(nc2n3ccnc3N(Cc4ccc(cc4)C#N)C(=O)c12)N5CCC[CH](N)C5;CC#CCn1c2c(nc1N3CCCC(C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N","InChI=1S/C24H24N8O/c1-2-3-12-30-20-21(28-24(30)29-11-4-5-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-6-17(14-25)7-9-18/h6-10,13,19H,4-5,11-12,15-16,26H2,1H3/t19-/m1/s1","","2016-08-30","2016-09-30","4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile","2016-10-05"],["MZA","6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE","C23 H21 Cl F N3 O3 S","Fc1c2CCNCc2ccc1N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCN(C3=O)c4ccc5c(c4F)CCNC5","InChI=1S/C23H21ClFN3O3S/c24-17-4-1-15-12-18(5-2-14(15)11-17)32(30,31)27-20-8-10-28(23(20)29)21-6-3-16-13-26-9-7-19(16)22(21)25/h1-6,11-12,20,26-27H,7-10,13H2/t20-/m0/s1","","2011-02-02","2011-06-04","6-chloro-N-[(3S)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide",""],["75N","2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one","C26 H27 N9 O","C(#CCn5c2c(n1c(ncc1)N(C2=O)Cc4nc(c3ccccc3n4)C)nc5N6CCCC(C6)N)C;CC#CCn1c(nc2n3ccnc3N(Cc4nc(C)c5ccccc5n4)C(=O)c12)N6CCC[CH](N)C6;CC#CCn1c2c(nc1N3CCCC(C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C","InChI=1S/C26H27N9O/c1-3-4-13-33-22-23(31-26(33)32-12-7-8-18(27)15-32)34-14-11-28-25(34)35(24(22)36)16-21-29-17(2)19-9-5-6-10-20(19)30-21/h5-6,9-11,14,18H,7-8,12-13,15-16,27H2,1-2H3/t18-/m1/s1","","2016-08-30","2016-09-30","2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one","2016-10-05"],["MZB","(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol","C6 H13 N O4 S","O=S(C1C(O)C(O)C(O)C1N)C;C[S](=O)[CH]1[CH](N)[CH](O)[CH](O)[CH]1O;CS(=O)C1C(C(C(C1O)O)O)N","InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12+/m0/s1","MANNOSTATIN B","2008-07-25","2021-03-01","(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol",""],["75O","6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid","C17 H16 Cl N3 O3","n2cc(c3cc(c1c(nc(cc1)N(C)C)OC)c(cc23)Cl)C(O)=O;COc1nc(ccc1c2cc3c([nH]cc3C(O)=O)cc2Cl)N(C)C;CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O","InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)","","2016-09-01","2017-03-24","6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid","2017-03-29"],["MZC","methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate","C14 H17 N3 O3","O=C(OC)Nc1cc2c(cc1)ncc2CCNC(=O)C;COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1;CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC","InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)","","2010-09-17","2011-06-04","methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate",""],["75P","7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine","C24 H38 N6 O2","c12cc(OCCN)c(OC)cc1c(nc(n2)N3CCCC3)NCCCCCN4CCCC4;COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCN)N4CCCC4;COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4","InChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28)","","2016-09-01","2016-09-23","7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine","2016-09-28"],["MZD","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate","C31 H51 N2 O10 P S","C3C15C(C2(CCCC(C)(C2CC1O)C(=O)SCCNC(=O)CCNC(C(C(COP(O)(O)=O)(C)C)O)=O)C)C4OC3(C)C(C4)C5;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)[C]1(C)CCC[C]2(C)[CH]1C[CH](O)[C]34C[CH]5C[CH](O[C]5(C)C3)[CH]24;CC12CCCC(C1CC(C34C2C5CC(C3)C(C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C31H51N2O10PS/c1-27(2,17-42-44(39,40)41)24(36)25(37)33-10-7-22(35)32-11-12-45-26(38)29(4)9-6-8-28(3)20(29)14-21(34)31-15-18-13-19(23(28)31)43-30(18,5)16-31/h18-21,23-24,34,36H,6-17H2,1-5H3,(H,32,35)(H,33,37)(H2,39,40,41)/t18-,19+,20+,21-,23+,24+,28-,29-,30+,31+/m1/s1","","2019-04-24","2019-07-19","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate","2019-07-24"],["75Q","1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine","C23 H24 Cl2 N4 O","C1N(CCNC1)c2nccc(c2)c3cc(Cl)c(c(c3)Cl)OCc4ccc(C)nc4C;Cc1ccc(COc2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4)c(C)n1;Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl","InChI=1S/C23H24Cl2N4O/c1-15-3-4-18(16(2)28-15)14-30-23-20(24)11-19(12-21(23)25)17-5-6-27-22(13-17)29-9-7-26-8-10-29/h3-6,11-13,26H,7-10,14H2,1-2H3","","2016-09-02","2017-09-08","1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine","2017-09-13"],["75R","1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine","C23 H24 Cl2 N4 O","C1N(CCNC1)c2cc(ccn2)c3cc(Cl)c(c(c3)Cl)OCc4c(C)ccnc4C;Cc1ccnc(C)c1COc2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4;Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C","InChI=1S/C23H24Cl2N4O/c1-15-3-5-27-16(2)19(15)14-30-23-20(24)11-18(12-21(23)25)17-4-6-28-22(13-17)29-9-7-26-8-10-29/h3-6,11-13,26H,7-10,14H2,1-2H3","","2016-09-02","2017-09-08","1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine","2017-09-13"],["MZE","1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea","C33 H42 N8 O4 S","CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4cccc(c4)C(N)=N;CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4cccc(c4)C(=N)N","InChI=1S/C33H42N8O4S/c1-33(2,3)39-32(43)38-26-13-15-41(16-14-26)31(42)28(18-21-7-4-10-24(17-21)29(34)35)40-46(44,45)27-12-6-9-23(20-27)22-8-5-11-25(19-22)30(36)37/h4-12,17,19-20,26,28,40H,13-16,18H2,1-3H3,(H3,34,35)(H3,36,37)(H2,38,39,43)/t28-/m0/s1","","2019-10-29","2020-11-13","1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea","2020-11-18"],["MZF","(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one","C11 H8 Br N3 O3","Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1;O[CH]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13;c1cc2c(cc1Br)C(C(=O)N2Cc3ncon3)O","InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1","","2023-08-16","2024-09-27","(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one","2023-11-08"],["75S","1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine","C22 H22 Cl2 N4 O","C1N(CCNC1)c2nccc(c2)c3cc(Cl)c(c(c3)Cl)OCc4cccnc4C;Cc1ncccc1COc2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4;Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl","InChI=1S/C22H22Cl2N4O/c1-15-17(3-2-5-26-15)14-29-22-19(23)11-18(12-20(22)24)16-4-6-27-21(13-16)28-9-7-25-8-10-28/h2-6,11-13,25H,7-10,14H2,1H3","","2016-09-02","2017-09-08","1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine","2017-09-13"],["MZG","4-chloro-2-methylphenol","C7 H7 Cl O","c1cc(cc(C)c1O)Cl;Cc1cc(Cl)ccc1O;Cc1cc(ccc1O)Cl","InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3","","2019-04-24","2019-09-06","4-chloro-2-methylphenol","2019-09-11"],["75T","2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine","C24 H26 N2 O","C1CNCCC1c2cc(ccc2)c3ccc(cc3)OCc4c(nccc4)C;Cc1ncccc1COc2ccc(cc2)c3cccc(c3)C4CCNCC4;Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4","InChI=1S/C24H26N2O/c1-18-23(6-3-13-26-18)17-27-24-9-7-19(8-10-24)21-4-2-5-22(16-21)20-11-14-25-15-12-20/h2-10,13,16,20,25H,11-12,14-15,17H2,1H3","","2016-09-02","2017-09-08","2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine","2017-09-13"],["75U","ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate","C22 H25 Br N2 O3 S","c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br;CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13;CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3","InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3","Arbidol; Umifenovir","2016-09-02","2020-06-17","ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate","2017-01-04"],["MZH","1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione","C10 H12 N2 O5","O=C1N(C(=O)CC1)COCN2C(=O)CCC2=O;O=C1CCC(=O)N1COCN2C(=O)CCC2=O;C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O","InChI=1S/C10H12N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-6H2","","2011-02-24","2024-09-27","1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione",""],["MZI","2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate","C20 H22 Cl N5 O4","O=C(Cc1ccc(NC(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1;CC(=O)OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1;CC(=O)OCC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl","InChI=1S/C20H22ClN5O4/c1-14(27)30-13-19(28)22-16-4-2-15(3-5-16)12-20(29)26-10-8-25(9-11-26)18-7-6-17(21)23-24-18/h2-7H,8-13H2,1H3,(H,22,28)","","2022-03-22","2023-03-24","2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate","2023-03-29"],["75V","N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE","C15 H24 N2 O7","O=C(NC(C(=O)NC(C(=O)O)C)C(C)CC)C1OC1C(=O)OCC;CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(=O)N[CH](C)C(O)=O;CCC(C)C(C(=O)NC(C)C(=O)O)NC(=O)C1C(O1)C(=O)OCC","InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1","CA075; N-(L-3-TRANS-ETHOXYCARBONYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-ALANINE","2006-01-06","2024-09-27","N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-alanine",""],["MZJ","1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one","C25 H27 N5 O2","n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4;Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1c3ccc(Oc4ccccc4)cc3;C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4","InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)","Evobrutinib","2019-04-24","2020-06-17","1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one","2019-08-14"],["75W","4-[(E)-diazenyl]benzene-1-sulfonamide","C6 H7 N3 O2 S","c1(S(=O)(=O)N)ccc(/N=N)cc1;N[S](=O)(=O)c1ccc(cc1)N=N;c1cc(ccc1N=N)S(=O)(=O)N","InChI=1S/C6H7N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,7H,(H2,8,10,11)/b9-7+","","2016-09-02","2017-09-01","4-[(E)-diazenyl]benzene-1-sulfonamide","2017-09-06"],["MZK","6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one","C16 H12 F3 N O","FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2;c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F","InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)","","2019-10-29","2020-02-28","6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one","2020-03-04"],["75X","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol","C19 H23 N5 O2","n2c(OCC1CCCCC1)c4c(nc2N)nc(c3cccc(O)c3C)n4;Cc1c(O)cccc1c2[nH]c3c(OCC4CCCCC4)nc(N)nc3n2;Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N","InChI=1S/C19H23N5O2/c1-11-13(8-5-9-14(11)25)16-21-15-17(22-16)23-19(20)24-18(15)26-10-12-6-3-2-4-7-12/h5,8-9,12,25H,2-4,6-7,10H2,1H3,(H3,20,21,22,23,24)","","2013-12-17","2014-12-05","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol","2014-12-10"],["MZL","N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide","C22 H19 N5 O","O=C(c1cccnc1)Nc2ccc(cc2)n3nc(cc3CC)c4cccnc4;CCc1cc(nn1c2ccc(NC(=O)c3cccnc3)cc2)c4cccnc4;CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4","InChI=1S/C22H19N5O/c1-2-19-13-21(16-5-3-11-23-14-16)26-27(19)20-9-7-18(8-10-20)25-22(28)17-6-4-12-24-15-17/h3-15H,2H2,1H3,(H,25,28)","","2010-09-15","2011-06-04","N-{4-[5-ethyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl]phenyl}pyridine-3-carboxamide",""],["75Y","2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide","C12 H11 N3 O5 S","N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)C=CC2=O)cc1;c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N","InChI=1S/C12H11N3O5S/c13-21(19,20)9-3-1-8(2-4-9)14-10(16)7-15-11(17)5-6-12(15)18/h1-6H,7H2,(H,14,16)(H2,13,19,20)","","2016-09-05","2017-09-01","2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide","2017-09-06"],["MZM","N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide","C5 H8 N4 O3 S2","NS(=O)(=O)C=1S/C(N(N=1)C)=NC(=O)C;CN1N=C(SC1=NC(C)=O)[S](N)(=O)=O;CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C","InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-","Methazolamide","1999-07-08","2021-03-01","N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide",""],["75Z","N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C24 H19 F N6 O3","c4(cc(C(NCCc3nc(c1ccc2c(c1)ncn2)nn3)=O)c(O)c(c4)O)c5ccc(cc5)F;Oc1cc(cc(c1O)C(=O)NCCc2[nH]c(nn2)c3ccc4[nH]cnc4c3)c5ccc(F)cc5;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F","InChI=1S/C24H19FN6O3/c25-16-4-1-13(2-5-16)15-9-17(22(33)20(32)11-15)24(34)26-8-7-21-29-23(31-30-21)14-3-6-18-19(10-14)28-12-27-18/h1-6,9-12,32-33H,7-8H2,(H,26,34)(H,27,28)(H,29,30,31)","N-{2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2016-09-02","2021-03-13","N-{2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["MZN","7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one","C21 H20 F N3 O3","CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F;CCC(=O)N1CCC(C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O","InChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1","","2019-10-30","2024-09-27","7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one","2020-04-08"],["760","9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE","C20 H20 N2","n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4;C1CCc2c(C1)nc3ccccc3c2NCc4ccccc4;c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4","InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)","9-N-PHENYLMETHYLAMINO-TACRINE","1999-12-20","2021-03-01","N-benzyl-1,2,3,4-tetrahydroacridin-9-amine",""],["MZO","N-(3-methoxyphenyl)-9H-purin-6-amine","C12 H11 N5 O","n2c1c(ncn1)c(nc2)Nc3cccc(OC)c3;COc1cccc(Nc2ncnc3[nH]cnc23)c1;COc1cccc(c1)Nc2c3c([nH]cn3)ncn2","InChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)","","2008-07-11","2011-06-04","N-(3-methoxyphenyl)-9H-purin-6-amine",""],["761","3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID","C13 H9 N O5","O=C(O)C(=O)Nc2c(cc1c(cccc1)c2)C(=O)O;OC(=O)C(=O)Nc1cc2ccccc2cc1C(O)=O;c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O","InChI=1S/C13H9NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H,18,19)","","2000-04-18","2011-06-04","3-[(carboxycarbonyl)amino]naphthalene-2-carboxylic acid",""],["MZP","4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE","C9 H12 N3 O9 P","[O-]P([O-])(=O)OCC2OC(n1c[nH+]c(C(=O)N)c1[O-])C(O)C2O;NC(=O)c1[nH+]cn([CH]2O[CH](CO[P]([O-])([O-])=O)[CH](O)[CH]2O)c1[O-];c1[nH+]c(c(n1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N","InChI=1S/C9H14N3O9P/c10-7(15)4-8(16)12(2-11-4)9-6(14)5(13)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,13-14,16H,1H2,(H2,10,15)(H2,17,18,19)/p-2/t3-,5-,6-,9-/m1/s1","","2002-10-29","2011-06-04","4-carbamoyl-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-3-ium-5-olate",""],["762","3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE","C20 H15 Cl N4 O","[O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N;NC(=[NH2+])c1cc2nc([nH]c2cc1Cl)c3cccc(c3[O-])c4ccccc4;c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl","InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)","CRA_10762","2003-03-14","2024-09-27","3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate",""],["763","5-(4-fluorophenyl)-2,3-dihydroxy-N-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide","C24 H22 F N3 O4","c3c(C(NCCCOCn1c2c(cc1)cncc2)=O)c(O)c(O)cc3c4ccc(cc4)F;Oc1cc(cc(C(=O)NCCCOCn2ccc3cnccc23)c1O)c4ccc(F)cc4;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F","InChI=1S/C24H22FN3O4/c25-19-4-2-16(3-5-19)18-12-20(23(30)22(29)13-18)24(31)27-8-1-11-32-15-28-10-7-17-14-26-9-6-21(17)28/h2-7,9-10,12-14,29-30H,1,8,11,15H2,(H,27,31)","4'-fluoro-4,5-dihydroxy-N-{3-[(1H-pyrrolo[3,2-c]pyridin-1-yl)methoxy]propyl}[1,1'-biphenyl]-3-carboxamide","2016-09-02","2021-03-13","4'-fluoro-4,5-dihydroxy-N-{3-[(1H-pyrrolo[3,2-c]pyridin-1-yl)methoxy]propyl}[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["MZQ","7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one","C22 H20 F2 N2 O2","CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(F)cc4F;CCC(=O)N1CCC(C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F","InChI=1S/C22H20F2N2O2/c1-2-21(27)26-8-7-15(12-26)20-10-14-4-3-13(9-18(14)22(28)25-20)17-6-5-16(23)11-19(17)24/h3-6,9,11,15H,2,7-8,10,12H2,1H3/t15-/m1/s1","","2019-10-30","2024-09-27","7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one","2020-04-08"],["MZR","5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide","C9 H13 N3 O6","O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N;NC(=O)c1ncn([CH]2O[CH](CO)[CH](O)[CH]2O)c1O;c1nc(c(n1C2C(C(C(O2)CO)O)O)O)C(=O)N","InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1","Mizoribine","2011-07-12","2020-06-17","5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide",""],["765","5'-{1-[(3S)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine","C16 H24 N7 O5","C(CC(C(O)=O)N)[N+]4(CC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)CC4;N[CH](CC[N+]1(CC1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C[N+]4(CC4)CCC(C(=O)O)N)O)O)N","InChI=1S/C16H23N7O5/c17-8(16(26)27)1-2-23(3-4-23)5-9-11(24)12(25)15(28-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,24-25H,1-5,17H2,(H2-,18,19,20,26,27)/p+1/t8-,9+,11+,12+,15+/m0/s1","","2016-03-16","2017-03-10","5'-{1-[(3S)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine","2017-03-15"],["MZS","1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid","C12 H9 F N2 O4","O=C(O)c1cc(nn1Cc2ccc(F)cc2)C(=O)O;OC(=O)c1cc(n(Cc2ccc(F)cc2)n1)C(O)=O;c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F","InChI=1S/C12H9FN2O4/c13-8-3-1-7(2-4-8)6-15-10(12(18)19)5-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)(H,18,19)","","2014-12-03","2015-08-14","1-(4-fluorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid","2015-08-19"],["766","5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide","C24 H21 F N2 O3 S","N(CCCCc1sc2c(c1)cncc2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O;Oc1cc(cc(c1O)C(=O)NCCCCc2sc3ccncc3c2)c4ccc(F)cc4;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F","InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)16-12-20(23(29)21(28)13-16)24(30)27-9-2-1-3-19-11-17-14-26-10-8-22(17)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30)","4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide","2016-09-02","2020-06-17","4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["MZT","4-(Trimethylammonio)pentanoic acid","C8 H18 N O2","O=C(O)CCC([N+](C)(C)C)C;C[CH](CCC(O)=O)[N+](C)(C)C;CC(CCC(=O)O)[N+](C)(C)C","InChI=1S/C8H17NO2/c1-7(9(2,3)4)5-6-8(10)11/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1","","2013-04-02","2014-09-05","(2R)-4-carboxy-N,N,N-trimethylbutan-2-aminium","2014-03-12"],["767","N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine","C17 H27 N5 O2","COc1cc2nc(NCCCN(C)C)nc(N(C)C)c2cc1OC;CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC","InChI=1S/C17H27N5O2/c1-21(2)9-7-8-18-17-19-13-11-15(24-6)14(23-5)10-12(13)16(20-17)22(3)4/h10-11H,7-9H2,1-6H3,(H,18,19,20)","","2016-06-17","2016-09-16","~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4,~{N}4-dimethyl-quinazoline-2,4-diamine","2016-09-21"],["768","(2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol","C23 H28 Cl2 N4 O2","Clc4ccc(OCC(O)CN1c3ccccc3N(C1=[N@H])CCN2CCCCC2)c(Cl)c4;O[CH](COc1ccc(Cl)cc1Cl)CN2C(=N)N(CCN3CCCCC3)c4ccccc24;[H]N=C1N(c2ccccc2N1CC(COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4","InChI=1S/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/b26-23+/t18-/m1/s1","1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-2-propanol","2009-06-02","2021-03-13","(2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol",""],["MZU","4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid","C9 H14 N3 O9 P","Nc1c([nH]nc1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(O)=O;C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)O)N)O)O)OP(=O)(O)O","InChI=1S/C9H14N3O9P/c10-3-4(11-12-5(3)9(15)16)8-7(14)6(13)2(21-8)1-20-22(17,18)19/h2,6-8,13-14H,1,10H2,(H,11,12)(H,15,16)(H2,17,18,19)/t2-,6-,7-,8+/m1/s1","","2022-08-09","2023-09-23","4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid","2022-09-07"],["MZV","3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide","C20 H13 F3 N6 O","c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F)(F)F)c4ncccc4;FC(F)(F)c1cc(cc(c1)c2ccccn2)C(=O)Nc3cccc(c3)c4[nH]nnn4;c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4","InChI=1S/C20H13F3N6O/c21-20(22,23)15-9-13(17-6-1-2-7-24-17)8-14(10-15)19(30)25-16-5-3-4-12(11-16)18-26-28-29-27-18/h1-11H,(H,25,30)(H,26,27,28,29)","","2019-04-24","2020-06-26","3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide","2020-07-01"],["769","5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide","C25 H22 F N3 O3","c4c(c1cc(c(O)c(c1)O)C(NCCC=CCn2c3c(cc2)cncc3)=O)ccc(c4)F;Oc1cc(cc(c1O)C(=O)NCCC=CCn2ccc3cnccc23)c4ccc(F)cc4;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCC=CCn3ccc4c3ccnc4)F","InChI=1S/C25H22FN3O3/c26-20-6-4-17(5-7-20)19-14-21(24(31)23(30)15-19)25(32)28-10-2-1-3-12-29-13-9-18-16-27-11-8-22(18)29/h1,3-9,11,13-16,30-31H,2,10,12H2,(H,28,32)/b3-1+","4'-fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pent-3-en-1-yl][1,1'-biphenyl]-3-carboxamide","2016-09-02","2021-03-13","4'-fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pent-3-en-1-yl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["76A","3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE","C29 H27 N3 O3","O=C(NC1CCC(O)CC1)c2cc6c(cc2)c3c(c(nn3)c5ccc(c4ccc(O)cc4)cc5)C6;O[CH]1CC[CH](CC1)NC(=O)c2ccc3c(Cc4c3[nH]nc4c5ccc(cc5)c6ccc(O)cc6)c2;c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O","InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-","3-(4'-HYDROXY-BIPHENYL-4-YL)-1,4-DIHYDRO-INDENO[1,2-C]PYRAZOLE-6-CARBOXYLIC ACID (4-HYDROXY-CYCLOHEXYL)-AMIDE","2007-01-31","2020-06-17","3-(4'-hydroxybiphenyl-4-yl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide",""],["MZW","5-ethyl-1,3,4-thiadiazol-2-amine","C4 H7 N3 S","CCc1sc(N)nn1;CCc1nnc(s1)N","InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)","","2019-10-30","2020-08-14","5-ethyl-1,3,4-thiadiazol-2-amine","2020-08-19"],["MZX","5,8-dimethoxy-4-methylquinolin-2(1H)-one","C12 H13 N O3","O=C2C=C(c1c(OC)ccc(OC)c1N2)C;COc1ccc(OC)c2C(=CC(=O)Nc12)C;CC1=CC(=O)Nc2c1c(ccc2OC)OC","InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14)","","2010-07-01","2011-07-29","5,8-dimethoxy-4-methylquinolin-2(1H)-one",""],["76B","5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-[5-(2-methylpyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl]benzamide","C23 H20 F N5 O3","n4c(c1ccnc(c1)C)nc(CCNC(c2c(O)c(O)cc(c2)c3ccc(cc3)F)=O)n4;Cc1cc(ccn1)c2n[nH]c(CCNC(=O)c3cc(cc(O)c3O)c4ccc(F)cc4)n2;Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F","InChI=1S/C23H20FN5O3/c1-13-10-15(6-8-25-13)22-27-20(28-29-22)7-9-26-23(32)18-11-16(12-19(30)21(18)31)14-2-4-17(24)5-3-14/h2-6,8,10-12,30-31H,7,9H2,1H3,(H,26,32)(H,27,28,29)","4'-fluoro-4,5-dihydroxy-N-{2-[3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,1'-biphenyl]-3-carboxamide","2016-09-02","2021-03-13","4'-fluoro-4,5-dihydroxy-N-{2-[3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["76C","2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile","C21 H17 Cl F N9 O","C[CH](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(Cl)c3C(=O)N2c4cncc(F)c4C;Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2C(C)Nc4c(c(nc(n4)N)N)C#N","InChI=1S/C21H17ClFN9O/c1-9-13(23)7-27-8-15(9)32-19(29-14-5-3-4-12(22)16(14)20(32)33)10(2)28-18-11(6-24)17(25)30-21(26)31-18/h3-5,7-8,10H,1-2H3,(H5,25,26,28,30,31)/t10-/m0/s1","","2016-09-07","2016-12-22","2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile","2016-12-28"],["MZY","1,3-dihydroimidazole-2-thione","C3 H4 N2 S","S=C1NC=CN1;C1=CNC(=S)N1","InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","2-Mercaptoimidazole","2016-05-12","2020-06-17","1,3-dihydroimidazole-2-thione","2016-06-01"],["MZZ","(4-aminophenyl)-imidazol-1-yl-methanone","C10 H9 N3 O","O=C(c1ccc(N)cc1)n2ccnc2;Nc1ccc(cc1)C(=O)n2ccnc2;c1cc(ccc1C(=O)n2ccnc2)N","InChI=1S/C10H9N3O/c11-9-3-1-8(2-4-9)10(14)13-6-5-12-7-13/h1-7H,11H2","","2011-04-21","2011-06-04","(4-aminophenyl)(1H-imidazol-1-yl)methanone",""],["76D","2,4,6-tri(propan-2-yl)benzoic acid","C16 H24 O2","O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C;CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C;CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C","InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)","2,4,6-triisopropylbenzoic acid","2013-12-13","2020-06-17","2,4,6-tri(propan-2-yl)benzoic acid","2014-11-19"],["76E","2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE","C23 H17 Cl F4 N2 O4 S","Fc1cccc(Cl)c1C(=O)Nc2ccc3OCCN(Cc3c2)[S](=O)(=O)c4cccc(c4)C(F)(F)F;c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F","InChI=1S/C23H17ClF4N2O4S/c24-18-5-2-6-19(25)21(18)22(31)29-16-7-8-20-14(11-16)13-30(9-10-34-20)35(32,33)17-4-1-3-15(12-17)23(26,27)28/h1-8,11-12H,9-10,13H2,(H,29,31)","","2015-09-16","2015-11-20","2-chloranyl-6-fluoranyl-N-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]benzamide","2015-11-25"],["N00","(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid","C16 H14 Cl N O2","O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C;C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C;Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C(=O)O","InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1","","2023-08-16","2023-11-03","(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid","2023-11-08"],["N01","3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE","C22 H26 N6 O17 P3","CC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O[P]([O-])([O-])=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O","InChI=1S/C22H29N6O17P3/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-16(31)18(44-46(33,34)35)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39)/p-3/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1","","2013-09-19","2014-01-31","[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate","2014-02-05"],["76F","(7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate","C41 H76 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCC/C=CCC=CCCCCC;CCCCCCC=CCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC","InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39H,3-11,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12?,15-13+,20-18?/t39-/m1/s1","DOPE","2021-08-11","2021-08-13","(7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate","2021-08-18"],["N02","(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H46 N4 O10 S","C(=O)(NC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC;CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22-/m0/s1","bound form","2017-07-28","2024-09-27","(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["76G","5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide","C24 H21 F N2 O3 S","N(CCCCc2cc1c(cncc1)s2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O;Oc1cc(cc(c1O)C(=O)NCCCCc2sc3cnccc3c2)c4ccc(F)cc4;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F","InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)17-12-20(23(29)21(28)13-17)24(30)27-9-2-1-3-19-11-16-8-10-26-14-22(16)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30)","4'-fluoro-4,5-dihydroxy-N-[4-(thieno[2,3-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide","2016-09-07","2021-03-13","4'-fluoro-4,5-dihydroxy-N-[4-(thieno[2,3-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["76H","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium","C18 H31 N7 O5","CCC[NH2+][CH](CC[CH]([NH3+])C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCC[NH2+]C(CCC(C(=O)O)[NH3+])CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/p+2/t9-,10+,11+,13+,14+,17+/m0/s1","","2016-09-05","2016-09-30","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium","2016-10-05"],["N03","1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone","C20 H18 N4 O","CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1c4ccccc4;Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C","InChI=1S/C20H18N4O/c1-11-17(12(2)25)18(13-6-4-3-5-7-13)19(22-11)20-23-15-9-8-14(21)10-16(15)24-20/h3-10,22H,21H2,1-2H3,(H,23,24)","","2021-04-06","2022-04-01","1-[5-(5-azanyl-1~{H}-benzimidazol-2-yl)-2-methyl-4-phenyl-1~{H}-pyrrol-3-yl]ethanone","2022-04-06"],["76I","(2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid","C5 H11 N O4","CC(C)N(O)[CH](O)C(O)=O;CC(C)N(C(C(=O)O)O)O","InChI=1S/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/t4-/m0/s1","2-hydroxy-2-(hydroxy(isopropyl)amino)acetate; (2S)-2-Hydroxy-2-[hydroxy(propan-2-yl)amino]acetic acid; 87438397","2021-08-04","2022-08-05","(2~{S})-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid","2022-08-10"],["N04","(2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid","C23 H20 N2 O8 S","OC(=O)CC[CH](NC(=O)c1cccc(COc2cccc(c2)C=C3SC(=O)NC3=O)c1)C(O)=O;c1cc(cc(c1)C(=O)NC(CCC(=O)O)C(=O)O)COc2cccc(c2)C=C3C(=O)NC(=O)S3","InChI=1S/C23H20N2O8S/c26-19(27)8-7-17(22(30)31)24-20(28)15-5-1-4-14(9-15)12-33-16-6-2-3-13(10-16)11-18-21(29)25-23(32)34-18/h1-6,9-11,17H,7-8,12H2,(H,24,28)(H,26,27)(H,30,31)(H,25,29,32)/b18-11-/t17-/m1/s1","","2011-01-20","2011-10-14","(2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid",""],["N05","3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid","C25 H30 F N5 O3","CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)CCC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N","InChI=1S/C25H30FN5O3/c1-14(2)25(20(13-27)23(28)34-24-22(25)15(3)29-30-24)17-10-18(26)12-19(11-17)31-8-6-16(7-9-31)4-5-21(32)33/h10-12,14,16H,4-9,28H2,1-3H3,(H,29,30)(H,32,33)/t25-/m0/s1","","2017-09-26","2018-06-01","3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid","2018-06-06"],["76J","[(2~{S},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium","C20 H35 N7 O5","CCCCC[NH2+][CH](CC[CH]([NH3+])C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCC[NH2+]C(CCC(C(=O)O)[NH3+])CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C20H33N7O5/c1-2-3-4-7-23-11(5-6-12(21)20(30)31)8-13-15(28)16(29)19(32-13)27-10-26-14-17(22)24-9-25-18(14)27/h9-13,15-16,19,23,28-29H,2-8,21H2,1H3,(H,30,31)(H2,22,24,25)/p+2/t11-,12-,13+,15+,16+,19+/m0/s1","","2016-09-06","2016-09-30","[(2~{S},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium","2016-10-05"],["N06","1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one","C18 H22 Cl N5 O","O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl)nn1;CN(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1;CN(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl","InChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3","","2022-03-22","2023-03-24","1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one","2023-03-29"],["76K","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium","C18 H31 N7 O6","Nc1ncnc2n(cnc12)[CH]3O[CH](C[CH](CC[CH]([NH3+])C(O)=O)[NH2+]CCCO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)[NH3+])[NH2+]CCCO)O)O)N","InChI=1S/C18H29N7O6/c19-10(18(29)30)3-2-9(21-4-1-5-26)6-11-13(27)14(28)17(31-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-28H,1-6,19H2,(H,29,30)(H2,20,22,23)/p+2/t9-,10+,11+,13+,14+,17+/m0/s1","","2016-09-06","2016-09-30","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium","2016-10-05"],["76L","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{R})-2-oxidanylpropyl]azanium","C18 H31 N7 O6","C[CH](O)C[NH2+][CH](CC[CH]([NH3+])C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C[NH2+]C(CCC(C(=O)O)[NH3+])CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C18H29N7O6/c1-8(26)5-21-9(2-3-10(19)18(29)30)4-11-13(27)14(28)17(31-11)25-7-24-12-15(20)22-6-23-16(12)25/h6-11,13-14,17,21,26-28H,2-5,19H2,1H3,(H,29,30)(H2,20,22,23)/p+2/t8-,9+,10-,11-,13-,14-,17-/m1/s1","","2016-09-06","2016-12-16","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{R})-2-oxidanylpropyl]azanium","2016-10-05"],["N07","[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone","C21 H21 N3 O2","Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4;Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4;Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4","InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3","","2019-04-26","2020-10-16","[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone","2020-10-21"],["N08","~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide","C13 H12 F N O2","Fc1ccc(CCNC(=O)c2occc2)cc1;c1cc(oc1)C(=O)NCCc2ccc(cc2)F","InChI=1S/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)","","2019-10-31","2020-06-26","~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide","2020-07-01"],["76M","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium","C19 H33 N7 O5","CC(C)C[NH2+][CH](CC[CH]([NH3+])C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)C[NH2+]C(CCC(C(=O)O)[NH3+])CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C19H31N7O5/c1-9(2)6-22-10(3-4-11(20)19(29)30)5-12-14(27)15(28)18(31-12)26-8-25-13-16(21)23-7-24-17(13)26/h7-12,14-15,18,22,27-28H,3-6,20H2,1-2H3,(H,29,30)(H2,21,23,24)/p+2/t10-,11+,12+,14+,15+,18+/m0/s1","","2016-09-06","2016-10-07","[(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium","2016-10-12"],["N09","N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide","C19 H14 Cl N3 O4","Clc1ccc(cc1OC)NC(=O)Cn4ncc2c4c3c(OC2=O)cccc3;COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl;COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4","InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)","","2014-06-04","2014-08-01","N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide","2014-08-06"],["76N","3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one","C23 H29 N O6","C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)[C]4(O)CC[CH](O)[CH]5O[CH]45;CC1C=CC2CCCCC2C1C(=O)C3=C(C(=CNC3=O)C4(CCC(C5C4O5)O)O)O","InChI=1S/C23H29NO6/c1-11-6-7-12-4-2-3-5-13(12)16(11)19(27)17-18(26)14(10-24-22(17)28)23(29)9-8-15(25)20-21(23)30-20/h6-7,10-13,15-16,20-21,25,29H,2-5,8-9H2,1H3,(H2,24,26,28)/t11-,12+,13+,15+,16+,20+,21+,23-/m1/s1","","2022-02-18","2023-02-10","3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one","2023-02-15"],["N0A","3-fluoro-L-phenylalanine","C9 H10 F N O2","NC(Cc1cccc(c1)F)C(=O)O;N[CH](Cc1cccc(F)c1)C(O)=O;c1cc(cc(c1)F)CC(C(=O)O)N","InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2019-04-26","2024-09-27","3-fluoro-L-phenylalanine","2020-04-29"],["76O","[(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium","C22 H31 N7 O5","Nc1ncnc2n(cnc12)[CH]3O[CH](C[CH](CC[CH]([NH3+])C(O)=O)[NH2+]Cc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)C[NH2+]C(CCC(C(=O)O)[NH3+])CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C22H29N7O5/c23-14(22(32)33)7-6-13(25-9-12-4-2-1-3-5-12)8-15-17(30)18(31)21(34-15)29-11-28-16-19(24)26-10-27-20(16)29/h1-5,10-11,13-15,17-18,21,25,30-31H,6-9,23H2,(H,32,33)(H2,24,26,27)/p+2/t13-,14+,15-,17-,18-,21-/m1/s1","","2016-09-06","2016-09-30","[(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium","2016-10-05"],["N0B","Adenylated Norbornene","C25 H36 N7 O10 P","O=C(OCC2CC1C=CC2C1)NCCCCC(N)C(=O)OP([O-])(=O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O;N[CH](CCCCNC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CCCCNC(=O)OCC4CC5CC4C=C5)N)O)O)N","InChI=1S/C25H36N7O10P/c26-16(3-1-2-6-28-25(36)39-9-15-8-13-4-5-14(15)7-13)24(35)42-43(37,38)40-10-17-19(33)20(34)23(41-17)32-12-31-18-21(27)29-11-30-22(18)32/h4-5,11-17,19-20,23,33-34H,1-3,6-10,26H2,(H,28,36)(H,37,38)(H2,27,29,30)/p-1/t13-,14+,15+,16+,17-,19-,20+,23+/m0/s1","","2013-07-01","2013-07-26","9-[5-O-({[(2R)-2-amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}phosphinato)-alpha-L-arabinofuranosyl]-9H-purin-6-amine","2013-07-31"],["76P","~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine","C16 H20 N4 O3","CN(C)[CH]1CC[CH](CC1)Oc2ncnc3ccc(cc23)[N+]([O-])=O;CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-]","InChI=1S/C16H20N4O3/c1-19(2)11-3-6-13(7-4-11)23-16-14-9-12(20(21)22)5-8-15(14)17-10-18-16/h5,8-11,13H,3-4,6-7H2,1-2H3/t11-,13-","","2016-09-07","2017-04-28","~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine","2017-05-03"],["N0C","~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide","C22 H34 N8 O2","C[N+](C)(C)CC(=O)NNCc1cc(C=NNC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2;C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)C=NNC(=O)C[N+](C)(C)C","InChI=1S/C22H32N8O2/c1-29(2,3)15-20(31)27-23-13-18-12-19(14-24-28-21(32)16-30(4,5)6)26-22(25-18)17-10-8-7-9-11-17/h7-13H,14-16H2,1-6H3,(H-2,23,24,25,26,27,28,31,32)/p+2","","2022-08-09","2023-09-23","trimethyl-[2-oxidanylidene-2-[2-[[2-phenyl-6-[(~{E})-[2-(trimethylazaniumyl)ethanoylhydrazinylidene]methyl]pyrimidin-4-yl]methyl]hydrazinyl]ethyl]azanium","2023-06-14"],["76Q","5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol","C27 H29 N3 O","CNCCCCc1c(cnc2ccc(cc12)c3cncc(O)c3)c4cc(C)cc(C)c4;Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C","InChI=1S/C27H29N3O/c1-18-10-19(2)12-21(11-18)26-17-30-27-8-7-20(22-13-23(31)16-29-15-22)14-25(27)24(26)6-4-5-9-28-3/h7-8,10-17,28,31H,4-6,9H2,1-3H3","","2016-09-07","2017-04-28","5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol","2017-05-03"],["76R","[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese","C36 H36 Mn N4 O8","OC(=O)CCC1=C(C)C=3N2=C1C=C8N7[Mn]25n4c(C=3)c(CCC(O)=O)c(C)c4C=C6N5=C(C(=C6CCC(=O)O)C)C=C7C(=C8CCC(O)=O)C;CC1=C(CCC(O)=O)C2=Cc3n4[Mn][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6CCC(O)=O)C)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C","InChI=1S/C36H38N4O8.Mn/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","Manganese-Coproporphyrin III","2016-09-07","2021-03-01","[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese","2017-01-18"],["N0D","2,4-dimethylphenol","C8 H10 O","Cc1cc(C)ccc1O;Cc1ccc(O)c(C)c1;Cc1ccc(c(c1)C)O","InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3","","2019-04-26","2019-09-20","2,4-dimethylphenol","2019-09-25"],["76S","5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide","C22 H18 F N5 O3","c3c(C(NCCc2nc(c1ccncc1)nn2)=O)c(O)c(O)cc3c4ccc(cc4)F;Oc1cc(cc(c1O)C(=O)NCCc2[nH]c(nn2)c3ccncc3)c4ccc(F)cc4;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F","InChI=1S/C22H18FN5O3/c23-16-3-1-13(2-4-16)15-11-17(20(30)18(29)12-15)22(31)25-10-7-19-26-21(28-27-19)14-5-8-24-9-6-14/h1-6,8-9,11-12,29-30H,7,10H2,(H,25,31)(H,26,27,28)","4'-fluoro-4,5-dihydroxy-N-{2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl}[1,1'-biphenyl]-3-carboxamide","2016-09-07","2021-03-13","4'-fluoro-4,5-dihydroxy-N-{2-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl}[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N0E","~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide","C15 H15 N O2","Oc1ccc(NC(=O)CCc2ccccc2)cc1;c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O","InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18)","","2019-11-04","2020-08-14","~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide","2020-08-19"],["76T","5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide","C28 H23 F N4 O3","C(NCc3cc(CNc2cc1c(nnc1)cc2)ccc3)(c4c(c(O)cc(c4)c5ccc(cc5)F)O)=O;Oc1cc(cc(c1O)C(=O)NCc2cccc(CNc3ccc4[nH]ncc4c3)c2)c5ccc(F)cc5;c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5","InChI=1S/C28H23FN4O3/c29-22-6-4-19(5-7-22)20-12-24(27(35)26(34)13-20)28(36)31-15-18-3-1-2-17(10-18)14-30-23-8-9-25-21(11-23)16-32-33-25/h1-13,16,30,34-35H,14-15H2,(H,31,36)(H,32,33)","4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide","2016-09-07","2020-06-17","4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N0F","(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide","C18 H23 N3 O2 S","Cc1ccncc1NC(=O)CC(N1CCC(O)CC1)c1ccsc1;Cc1ccncc1NC(=O)C[CH](N2CCC(O)CC2)c3cscc3;Cc1ccncc1NC(=O)CC(c2ccsc2)N3CCC(CC3)O","InChI=1S/C18H23N3O2S/c1-13-2-6-19-11-16(13)20-18(23)10-17(14-5-9-24-12-14)21-7-3-15(22)4-8-21/h2,5-6,9,11-12,15,17,22H,3-4,7-8,10H2,1H3,(H,20,23)/t17-/m1/s1","","2023-08-16","2023-11-03","(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide","2023-11-08"],["76U","(4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid","C13 H20 F N2 O7 P","c1(c(c(c(C)nc1)O)CNC(CF)CCC(O)=O)COP(O)(O)=O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CF)CCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CF)O","InChI=1S/C13H20FN2O7P/c1-8-13(19)11(6-16-10(4-14)2-3-12(17)18)9(5-15-8)7-23-24(20,21)22/h5,10,16,19H,2-4,6-7H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m0/s1","","2016-09-08","2017-03-24","(4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid","2017-03-29"],["N0G","2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide","C26 H22 N2 O2","N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O;C[CH](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4;CC(c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O","InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1","Sirtinol","2019-04-26","2021-03-01","2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide","2020-06-24"],["N0H","~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide","C14 H13 N O3","Oc1ccccc1NC(=O)COc2ccccc2;c1ccc(cc1)OCC(=O)Nc2ccccc2O","InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)","","2019-11-04","2020-08-14","~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide","2020-08-19"],["76V","N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE","C18 H30 N2 O7","O=C(NC(C(=O)NC(C(=O)O)C(C)CC)C(C)CC)C1OC1C(=O)OCC;CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(=O)N[CH]([CH](C)CC)C(O)=O;CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)C1C(O1)C(=O)OCC","InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,11-,12-,13-,14-/m0/s1","CA076; N-(L-3-TRANS-ETHOXYCARBONYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-ISOLEUCINE","2006-01-05","2024-09-27","N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-isoleucine",""],["N0I","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide","C18 H22 Cl N5 O3 S","O=C(Cc1ccc(cc1)N(C)S(C)(=O)=O)N1CCN(CC1)c1ccc(Cl)nn1;CN(c1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1)[S](C)(=O)=O;CN(c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)S(=O)(=O)C","InChI=1S/C18H22ClN5O3S/c1-22(28(2,26)27)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3","","2022-03-22","2023-03-24","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide","2023-03-29"],["76X","pyridine-2,3-diamine","C5 H7 N3","Nc1cccnc1N;c1cc(c(nc1)N)N","InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)","","2016-09-08","2017-03-31","pyridine-2,3-diamine","2017-04-05"],["N0J","(4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","C32 H39 Cl N2 O5 S","CCC6CCC=CC(O)C1CCC1CN4CC2(CCCc3c2ccc(c3)Cl)COc5c4cc(cc5)C(NS6(=O)=O)=O;CC[CH]1CCC=C[CH](O)[CH]2CC[CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[S]1(=O)=O;CCC1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O","InChI=1S/C32H39ClN2O5S/c1-2-25-7-3-4-8-29(36)26-12-9-23(26)18-35-19-32(15-5-6-21-16-24(33)11-13-27(21)32)20-40-30-14-10-22(17-28(30)35)31(37)34-41(25,38)39/h4,8,10-11,13-14,16-17,23,25-26,29,36H,2-3,5-7,9,12,15,18-20H2,1H3,(H,34,37)/b8-4+/t23-,25+,26+,29-,32-/m0/s1","","2019-04-29","2019-05-10","(4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","2019-05-15"],["76Y","1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide","C12 H11 Cl N2 O","NC(=O)c1cccn1Cc2ccccc2Cl;c1ccc(c(c1)Cn2cccc2C(=O)N)Cl","InChI=1S/C12H11ClN2O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(15)12(14)16/h1-7H,8H2,(H2,14,16)","","2016-09-08","2017-01-06","1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide","2017-01-11"],["76Z","10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide","C17 H17 N3 O3","CC(C)(O)C#Cc1ccc2OCCn3cc(nc3c2c1)C(N)=O;CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O","InChI=1S/C17H17N3O3/c1-17(2,22)6-5-11-3-4-14-12(9-11)16-19-13(15(18)21)10-20(16)7-8-23-14/h3-4,9-10,22H,7-8H2,1-2H3,(H2,18,21)","","2016-09-08","2017-01-06","10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide","2017-01-11"],["N0K","5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide","C24 H37 N3 O5 S","CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3CC(C(C3CO)O)O","InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1","","2019-11-04","2020-08-14","5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide","2020-08-19"],["N0L","2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide","C22 H31 Cl2 N3 O3","ClCC(=O)NCCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC(=O)CCl)Cl","InChI=1S/C22H31Cl2N3O3/c23-16-20(28)25-11-1-2-17-7-12-27(13-8-17)21(29)22(9-14-30-15-10-22)26-19-5-3-18(24)4-6-19/h3-6,17,26H,1-2,7-16H2,(H,25,28)","","2022-08-10","2024-09-27","2-chloranyl-~{N}-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide","2023-09-20"],["770","N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE","C21 H12 Cl N3 O3","Clc1ccccc1c4c5c(c3c2cc(ccc2nc3c4)NC=O)C(=O)NC5=O;Clc1ccccc1c2cc3[nH]c4ccc(NC=O)cc4c3c5C(=O)NC(=O)c25;c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl","InChI=1S/C21H12ClN3O3/c22-14-4-2-1-3-11(14)12-8-16-17(19-18(12)20(27)25-21(19)28)13-7-10(23-9-26)5-6-15(13)24-16/h1-9,24H,(H,23,26)(H,25,27,28)","","2007-05-31","2011-06-04","N-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide",""],["N0M","(4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","C31 H39 Cl N2 O5 S","C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(CCCCC(C6C(C5)CC6)O)C)(=O)=O)=O;C[CH]1CCCC[CH](O)[CH]2CC[CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[S]1(=O)=O;CC1CCCCC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O","InChI=1S/C31H39ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h9-10,12-13,15-16,20,23,25,28,35H,2-8,11,14,17-19H2,1H3,(H,33,36)/t20-,23+,25-,28+,31+/m1/s1","","2019-04-29","2019-05-10","(4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","2019-05-15"],["771","4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE","C23 H26 N4 O4 S","O=S(=O)(Nc2cc(OCc1ccccc1)c(OC)cc2CNc3ccc(C(=[N@H])N)cc3)C;COc1cc(CNc2ccc(cc2)C(N)=N)c(N[S](C)(=O)=O)cc1OCc3ccccc3;COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N","InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)","","2004-06-15","2011-06-04","4-({4-(benzyloxy)-5-methoxy-2-[(methylsulfonyl)amino]benzyl}amino)benzenecarboximidamide",""],["772","2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE","C10 H7 N2 O4 P","O=P(O)(O)Oc1cccc2ccc(C#N)nc12;O[P](O)(=O)Oc1cccc2ccc(nc12)C#N;c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N","InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15)","RU79072","2003-06-20","2020-06-17","2-cyanoquinolin-8-yl dihydrogen phosphate",""],["N0N","5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide","C24 H37 N3 O6 S","CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C(C(C(C3O)O)O)CO","InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1","","2019-11-04","2020-08-14","5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide","2020-08-19"],["N0O","(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide","C17 H13 Cl N4 O2","Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1c1ccccc1;Clc1ccc2OC[CH](C(=O)Nc3nncn3c4ccccc4)c2c1;c1ccc(cc1)n2cnnc2NC(=O)C3COc4c3cc(cc4)Cl","InChI=1S/C17H13ClN4O2/c18-11-6-7-15-13(8-11)14(9-24-15)16(23)20-17-21-19-10-22(17)12-4-2-1-3-5-12/h1-8,10,14H,9H2,(H,20,21,23)/t14-/m1/s1","","2023-08-16","2023-11-03","(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide","2023-11-08"],["773","CETHROMYCIN","C42 H59 N3 O10","O=C4C(C(OC1OC(CC(N(C)C)C1O)C)C(OCC=Cc2cc3ccccc3nc2)(C)CC(C(=O)C(C)C5NC(=O)OC5(C)C(OC(=O)C4C)CC)C)C;CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3NC(=O)O[C]13C)OCC=Cc4cnc5ccccc5c4;CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=Cc4cc5ccccc5nc4)C)C)NC(=O)O2)C","InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1","ABT-773","2003-02-10","2021-03-01","(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-quinolin-3-ylprop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",""],["774","6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide","C12 H10 N2 O2 S","NC(=O)c1ccc2OCCc3ccsc3c2n1;c1cc(nc-2c1OCCc3c2scc3)C(=O)N","InChI=1S/C12H10N2O2S/c13-12(15)8-1-2-9-10(14-8)11-7(3-5-16-9)4-6-17-11/h1-2,4,6H,3,5H2,(H2,13,15)","","2016-09-08","2017-01-06","6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide","2017-01-11"],["N0P","(4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione","C26 H31 Cl N2 O5 S","c5c(Cl)cc4CCC2(COc1ccc3cc1N(C2)CCCCCCOCCS(=O)(NC3=O)=O)c4c5;Clc1ccc2c(CC[C]23COc4ccc5cc4[N](CCCCCCOCC[S](=O)(=O)NC5=O)C3)c1;c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3CC4(CCc5c4ccc(c5)Cl)CO2","InChI=1S/C26H31ClN2O5S/c27-21-6-7-22-19(15-21)9-10-26(22)17-29-11-3-1-2-4-12-33-13-14-35(31,32)28-25(30)20-5-8-24(34-18-26)23(29)16-20/h5-8,15-16H,1-4,9-14,17-18H2,(H,28,30)/t26-/m0/s1","","2019-04-29","2019-05-10","(4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione","2019-05-15"],["775","2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C17 H16 Cl N5 O","CCCC=1Nc2n(C(C=1)=O)nc(c2C#N)NCc3ccc(Cl)cc3;CCCC1=CC(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2N1;CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1","InChI=1S/C17H16ClN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)","","2015-06-08","2015-06-26","2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2015-07-01"],["N0Q","5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide","C24 H37 N3 O5 S","CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO","InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1","","2019-11-04","2020-08-14","5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide","2020-08-19"],["N0R","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide","C18 H20 Cl N5 O3","O=C(Cc1ccc(NC(=O)CO)cc1)N1CCN(CC1)c1ccc(Cl)nn1;OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1;c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)NC(=O)CO","InChI=1S/C18H20ClN5O3/c19-15-5-6-16(22-21-15)23-7-9-24(10-8-23)18(27)11-13-1-3-14(4-2-13)20-17(26)12-25/h1-6,25H,7-12H2,(H,20,26)","","2022-03-22","2023-03-24","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide","2023-03-29"],["777","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid","C12 H19 N6 O7 P","CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23;CCNP(=O)(O)OCC1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O)O","InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1","D-Trp-G","2016-06-28","2021-03-01","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid","2017-06-28"],["778","4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE","C22 H20 Cl N5 O","N#Cc1ccc(cc1)Cn2c(cnc2)CN4CC(=O)N(c3cccc(Cl)c3)CC4;Clc1cccc(c1)N2CCN(CC2=O)Cc3cncn3Cc4ccc(cc4)C#N;c1cc(cc(c1)Cl)N2CCN(CC2=O)Cc3cncn3Cc4ccc(cc4)C#N","InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2","L-778,123","2004-02-04","2021-03-13","4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile",""],["N0S","(4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","C31 H37 Cl N2 O5 S","C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(CCC=CC(C6C(C5)CC6)O)C)(=O)=O)=O;C[CH]1CCC=C[CH](O)[CH]2CC[CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[S]1(=O)=O;CC1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O","InChI=1S/C31H37ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h3,7,9-10,12-13,15-16,20,23,25,28,35H,2,4-6,8,11,14,17-19H2,1H3,(H,33,36)/b7-3+/t20-,23+,25-,28+,31+/m1/s1","","2019-04-29","2019-05-10","(4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","2019-05-15"],["779","1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea","C26 H39 N5 O2","O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)Nc2ccccc2)C3)CCC4CCCCC4)C;CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCC[CH](C3)NC(=O)Nc4ccccc4)C1=O;CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)NC(=O)Nc4ccccc4","InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1","","2014-09-08","2020-05-27","1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea","2014-11-05"],["N0T","(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol","C14 H29 N O4","CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO;CCCCCCCCNC1C(C(C(C1O)O)O)CO","InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1","","2019-11-04","2020-08-14","(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol","2020-08-19"],["77A","1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA","C17 H22 Cl N5 O3","Clc1cc(c(OC)cc1)NC(=O)Nc2nc(OC(CN(C)C)C)cnc2;COc1ccc(Cl)cc1NC(=O)Nc2cncc(O[CH](C)CN(C)C)n2;CC(CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl","InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)/t11-/m0/s1","","2007-01-31","2011-06-04","1-(5-chloro-2-methoxyphenyl)-3-{6-[(1S)-2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea",""],["N0U","3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide","C27 H26 F2 N4 O","CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F;Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c(n[nH]c5c4)C","InChI=1S/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1","","2022-08-11","2023-09-25","3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide","2022-08-31"],["77B","BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE","C29 H35 N3 O6","O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C4OC4C(=O)NCc3ccccc3;CC[CH](C)[CH](NC(=O)[CH]1O[CH]1C(=O)NCc2ccccc2)C(=O)N3CCC[CH]3C(=O)OCc4ccccc4;CCC(C)C(C(=O)N1CCCC1C(=O)OCc2ccccc2)NC(=O)C3C(O3)C(=O)NCc4ccccc4","InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1","CA077; N-(L-3-TRANS-BENZYLCARBAMOYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE BENZYL ESTER","2006-01-05","2024-09-27","benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate",""],["N0V","(3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide","C39 H40 N8 O3","C1CC1c2cc(ccn2)c8c7c(ccc(NC(C3(CN(CC3)CC(N4CC=C(CC4)c5ccc(cc5)c6ncccn6)=O)COC)=O)c7)nn8;COC[C]1(CCN(CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccnc(c7)C8CC8)c6c5;COCC1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8","InChI=1S/C39H40N8O3/c1-50-25-39(38(49)43-31-9-10-33-32(22-31)36(45-44-33)30-11-17-40-34(21-30)28-5-6-28)14-20-46(24-39)23-35(48)47-18-12-27(13-19-47)26-3-7-29(8-4-26)37-41-15-2-16-42-37/h2-4,7-12,15-17,21-22,28H,5-6,13-14,18-20,23-25H2,1H3,(H,43,49)(H,44,45)/t39-/m1/s1","","2019-04-29","2019-07-26","(3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide","2019-07-31"],["77C","2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile","C22 H17 Cl F N9 O","C4(=O)c1c(c(ccc1Cl)F)N=C(C(C2CC2)Nc3c(C#N)c(nc(n3)N)N)N4c5cccnc5;Nc1nc(N)c(C#N)c(N[CH](C2CC2)C3=Nc4c(F)ccc(Cl)c4C(=O)N3c5cccnc5)n1;c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2C(C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl","InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1","","2016-09-08","2016-12-22","2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile","2016-12-28"],["N0W","5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide","C24 H37 N3 O5 S","CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO","InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1","","2019-11-04","2020-08-14","5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide","2020-08-19"],["77D","2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide","C22 H26 F I N4 O2 S","Ic1ccc(c(F)c1)Nc2sc4C(=O)NCC(Cc4c2C(=O)NC3CCCNC3)(C)C;CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[CH]4CCCNC4)c2C1;CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)NC4CCCNC4)C","InChI=1S/C22H26FIN4O2S/c1-22(2)9-14-17(19(29)27-13-4-3-7-25-10-13)21(31-18(14)20(30)26-11-22)28-16-6-5-12(24)8-15(16)23/h5-6,8,13,25,28H,3-4,7,9-11H2,1-2H3,(H,26,30)(H,27,29)/t13-/m1/s1","","2011-06-30","2012-02-24","2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide",""],["N0X","(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C16 H18 N4 O2","O=C(Nc1nncn1C1CC1)C1(C)CCOc2ccccc21;C[C]1(CCOc2ccccc12)C(=O)Nc3nncn3C4CC4;CC1(CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4","InChI=1S/C16H18N4O2/c1-16(8-9-22-13-5-3-2-4-12(13)16)14(21)18-15-19-17-10-20(15)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,18,19,21)/t16-/m1/s1","","2023-08-16","2023-11-03","(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["77E","(4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid","C13 H21 N2 O7 P","OP(O)(=O)OCc1cnc(c(c1CCC(N)CCC(O)=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CC[CH](N)CCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CCC(CCC(=O)O)N)O","InChI=1S/C13H21N2O7P/c1-8-13(18)11(4-2-10(14)3-5-12(16)17)9(6-15-8)7-22-23(19,20)21/h6,10,18H,2-5,7,14H2,1H3,(H,16,17)(H2,19,20,21)/t10-/m1/s1","","2016-09-08","2024-09-27","(4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid","2017-03-29"],["N0Y","1-benzyl-4-methoxybenzene","C14 H14 O","c1c(cccc1)Cc2ccc(cc2)OC;COc1ccc(Cc2ccccc2)cc1;COc1ccc(cc1)Cc2ccccc2","InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3","","2019-04-29","2022-06-10","1-benzyl-4-methoxybenzene","2022-06-15"],["77F","N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide","C31 H38 N2 O6 S","O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(S(=O)(=O)c3ccc(OC)cc3)CC4CCCCC4;COc1ccc(cc1)[S](=O)(=O)N(CC2CCCCC2)C[CH](O)[CH](Cc3ccccc3)NC(=O)c4cccc(O)c4;COc1ccc(cc1)S(=O)(=O)N(CC2CCCCC2)CC(C(Cc3ccccc3)NC(=O)c4cccc(c4)O)O","InChI=1S/C31H38N2O6S/c1-39-27-15-17-28(18-16-27)40(37,38)33(21-24-11-6-3-7-12-24)22-30(35)29(19-23-9-4-2-5-10-23)32-31(36)25-13-8-14-26(34)20-25/h2,4-5,8-10,13-18,20,24,29-30,34-35H,3,6-7,11-12,19,21-22H2,1H3,(H,32,36)/t29-,30+/m0/s1","","2011-06-06","2012-06-01","N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide",""],["N0Z","2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol","C10 H9 N5 O","Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1;c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N","InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15)","","2019-11-05","2020-05-29","2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol","2020-06-03"],["77G","N-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C23 H23 F N6 O3","n1cn(c2c1c(N)ncn2)CCCCCNC(=O)c3c(c(cc(c3)c4ccc(cc4)F)O)O;Nc1ncnc2n(CCCCCNC(=O)c3cc(cc(O)c3O)c4ccc(F)cc4)cnc12;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F","InChI=1S/C23H23FN6O3/c24-16-6-4-14(5-7-16)15-10-17(20(32)18(31)11-15)23(33)26-8-2-1-3-9-30-13-29-19-21(25)27-12-28-22(19)30/h4-7,10-13,31-32H,1-3,8-9H2,(H,26,33)(H2,25,27,28)","","2016-09-08","2017-08-25","N-[5-(6-amino-9H-purin-9-yl)pentyl]-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N10","O-[(HEXYLAMINO)CARBONYL]-L-SERINE","C10 H20 N2 O4","O=C(O)C(N)COC(=O)NCCCCCC;CCCCCCNC(=O)OC[CH](N)C(O)=O;CCCCCCNC(=O)OCC(C(=O)O)N","InChI=1S/C10H20N2O4/c1-2-3-4-5-6-12-10(15)16-7-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1","","2007-05-31","2024-09-27","O-(hexylcarbamoyl)-L-serine",""],["77H","N-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C23 H23 F N6 O3","n1cn(c2c1cnc(n2)N)CCCCCNC(c4c(c(cc(c3ccc(F)cc3)c4)O)O)=O;Nc1ncc2ncn(CCCCCNC(=O)c3cc(cc(O)c3O)c4ccc(F)cc4)c2n1;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F","InChI=1S/C23H23FN6O3/c24-16-6-4-14(5-7-16)15-10-17(20(32)19(31)11-15)22(33)26-8-2-1-3-9-30-13-28-18-12-27-23(25)29-21(18)30/h4-7,10-13,31-32H,1-3,8-9H2,(H,26,33)(H2,25,27,29)","","2016-09-08","2017-08-25","N-[5-(2-amino-9H-purin-9-yl)pentyl]-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N11","6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol","C12 H15 N3 O4 S","[O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12;OCCCCCCSc1ccc(c2nonc12)[N+]([O-])=O;c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO","InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2","6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol","2009-04-08","2020-06-17","6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol",""],["N12","N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE","C24 H36 N6 O4","O=C(O)CNC(C(=O)NC2(C(=O)NCc1cnc(C(=[N@H])N)cc1)CCCC2)CC3CCCCC3;NC(=N)c1ccc(CNC(=O)C2(CCCC2)NC(=O)[CH](CC3CCCCC3)NCC(O)=O)cn1;[H]N=C(c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)C(CC3CCCCC3)NCC(=O)O)N","InChI=1S/C24H36N6O4/c25-21(26)18-9-8-17(13-27-18)14-29-23(34)24(10-4-5-11-24)30-22(33)19(28-15-20(31)32)12-16-6-2-1-3-7-16/h8-9,13,16,19,28H,1-7,10-12,14-15H2,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t19-/m1/s1","","2006-10-30","2011-06-04","N-[(1R)-2-[(1-{[(6-carbamimidoylpyridin-3-yl)methyl]carbamoyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine",""],["77I","(1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide","C35 H39 F3 N2 O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1;COc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(OCCCN6CCCCC6)cc5;COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O","InChI=1S/C35H39F3N2O6S/c1-44-28-16-10-26(11-17-28)40(23-35(36,37)38)47(42,43)31-22-30-32(24-6-12-27(41)13-7-24)33(34(31)46-30)25-8-14-29(15-9-25)45-21-5-20-39-18-3-2-4-19-39/h6-17,30-31,34,41H,2-5,18-23H2,1H3/t30-,31+,34+/m0/s1","","2021-08-11","2021-09-03","(1S,2R,4S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-08"],["77J","N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide","C13 H13 N3 O3 S","C=1(NC(=O)C=C(N=1)c2ccccc2)SCCC(NO)=O;ONC(=O)CCSC1=NC(=CC(=O)N1)c2ccccc2;c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO","InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18)","","2016-03-09","2017-03-24","N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide","2017-03-29"],["N13","2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide","C25 H18 F N7 O","Fc1cccc(c1)NC(=O)Cc2cc(nn2)c6cc5nnc(c4nc3ccccc3n4)c5cc6;Fc1cccc(NC(=O)Cc2[nH]nc(c2)c3ccc4c([nH]nc4c5[nH]c6ccccc6n5)c3)c1;c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F","InChI=1S/C25H18FN7O/c26-15-4-3-5-16(11-15)27-23(34)13-17-12-21(31-30-17)14-8-9-18-22(10-14)32-33-24(18)25-28-19-6-1-2-7-20(19)29-25/h1-12H,13H2,(H,27,34)(H,28,29)(H,30,31)(H,32,33)","","2012-11-20","2014-01-31","2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide","2014-02-05"],["77K","5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide","C18 H16 F N3 O3","c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCc3ncn(C)c3)O)O;Cn1cnc(CNC(=O)c2cc(cc(O)c2O)c3ccc(F)cc3)c1;Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F","InChI=1S/C18H16FN3O3/c1-22-9-14(21-10-22)8-20-18(25)15-6-12(7-16(23)17(15)24)11-2-4-13(19)5-3-11/h2-7,9-10,23-24H,8H2,1H3,(H,20,25)","","2016-09-08","2017-08-25","4'-fluoro-4,5-dihydroxy-N-[(1-methyl-1H-imidazol-4-yl)methyl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N14","5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine","C23 H29 F N8","C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)F)C(C5)C;C[CH]1CCCCn2ncc(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3F)c12;CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F","InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1","","2019-04-29","2020-07-24","5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine","2020-07-29"],["77L","5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide","C15 H14 F N O4","c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCO)O)O;OCCNC(=O)c1cc(cc(O)c1O)c2ccc(F)cc2;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F","InChI=1S/C15H14FNO4/c16-11-3-1-9(2-4-11)10-7-12(14(20)13(19)8-10)15(21)17-5-6-18/h1-4,7-8,18-20H,5-6H2,(H,17,21)","","2016-09-08","2017-08-25","4'-fluoro-4,5-dihydroxy-N-(2-hydroxyethyl)[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N15","2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide","C24 H25 N7 O","O=C(NCCC(C)C)Cn5ncc(c1ccc2c(c1)nnc2c4nc3ccccc3n4)c5;CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2;CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4","InChI=1S/C24H25N7O/c1-15(2)9-10-25-22(32)14-31-13-17(12-26-31)16-7-8-18-21(11-16)29-30-23(18)24-27-19-5-3-4-6-20(19)28-24/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,32)(H,27,28)(H,29,30)","","2012-12-14","2014-01-31","2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide","2014-02-05"],["77M","N-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C23 H20 F N O6 S","c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCSCC(c3cc(c(cc3)O)O)=O)O)O;Oc1ccc(cc1O)C(=O)CSCCNC(=O)c2cc(cc(O)c2O)c3ccc(F)cc3;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F","InChI=1S/C23H20FNO6S/c24-16-4-1-13(2-5-16)15-9-17(22(30)20(28)11-15)23(31)25-7-8-32-12-21(29)14-3-6-18(26)19(27)10-14/h1-6,9-11,26-28,30H,7-8,12H2,(H,25,31)","","2016-09-08","2017-08-25","N-(2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N16","(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione","C19 H18 N2 O2","O=C2C(=C(Nc1ccccc1)C)/C(=O)C(N2)Cc3ccccc3;CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=O;CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3","InChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,20H,12H2,1H3,(H,21,23)/b17-13-/t16-/m0/s1","","2009-05-27","2011-06-04","(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione",""],["77N","N-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C22 H21 F N6 O4","n1cn(c2c1c(ncn2)N)CCOCCNC(c3c(c(cc(c3)c4ccc(F)cc4)O)O)=O;Nc1ncnc2n(CCOCCNC(=O)c3cc(cc(O)c3O)c4ccc(F)cc4)cnc12;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F","InChI=1S/C22H21FN6O4/c23-15-3-1-13(2-4-15)14-9-16(19(31)17(30)10-14)22(32)25-5-7-33-8-6-29-12-28-18-20(24)26-11-27-21(18)29/h1-4,9-12,30-31H,5-8H2,(H,25,32)(H2,24,26,27)","","2016-09-08","2017-08-25","N-{2-[2-(6-amino-9H-purin-9-yl)ethoxy]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N17","3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide","C22 H18 N4 O2","O=C(Nc2ccc(Oc1ccncc1)cc2)c3cccc(c3)n4cc(nc4)C;Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3;Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4","InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)","","2013-09-13","2016-07-01","3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide","2016-07-06"],["77O","6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine","C9 H8 Cl N3 O","c1ncc(Cl)nc1NCc2ccco2;Clc1cncc(NCc2occc2)n1;c1cc(oc1)CNc2cncc(n2)Cl","InChI=1S/C9H8ClN3O/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13)","","2016-09-08","2016-10-21","6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine","2016-10-26"],["N18","methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate","C9 H11 N3 O5","N(CCC(OC)=O)C(C=1NC(=O)NC(C=1)=O)=O;COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1;COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1","InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)","","2019-07-23","2020-03-27","methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate","2020-04-01"],["77P","N-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide","C20 H17 F N4 O5","c1c(ccc(F)c1)c2cc(c(c(c2)C(=O)NCCNC(c3cc(O)ncn3)=O)O)O;Oc1cc(ncn1)C(=O)NCCNC(=O)c2cc(cc(O)c2O)c3ccc(F)cc3;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F","InChI=1S/C20H17FN4O5/c21-13-3-1-11(2-4-13)12-7-14(18(28)16(26)8-12)19(29)22-5-6-23-20(30)15-9-17(27)25-10-24-15/h1-4,7-10,26,28H,5-6H2,(H,22,29)(H,23,30)(H,24,25,27)","","2016-09-08","2017-08-25","N-{2-[(4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carbonyl)amino]ethyl}-6-hydroxypyrimidine-4-carboxamide","2017-08-30"],["N19","4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","C18 H21 N3 O3 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3;c1ccc(cc1)CC2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1","","2017-11-07","2018-10-05","4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","2018-10-10"],["77Q","5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide","C25 H24 F N3 O3","C(c2cc(c1ccc(F)cc1)cc(c2O)O)(=O)NCCCCCn4ccc3c4ccnc3;Oc1cc(cc(c1O)C(=O)NCCCCCn2ccc3cnccc23)c4ccc(F)cc4;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F","InChI=1S/C25H24FN3O3/c26-20-6-4-17(5-7-20)19-14-21(24(31)23(30)15-19)25(32)28-10-2-1-3-12-29-13-9-18-16-27-11-8-22(18)29/h4-9,11,13-16,30-31H,1-3,10,12H2,(H,28,32)","","2016-09-08","2017-08-25","4'-fluoro-4,5-dihydroxy-N-[5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pentyl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N1A","5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine","C23 H29 F N8","C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)C(C)CC5;C[CH]1CCCCn2ncc(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3F)c12;CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F","InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1","","2019-04-29","2020-07-24","5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine","2020-07-29"],["77R","5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-imidazol-1-ylpentyl)benzamide","C21 H22 F N3 O3","C(c2cc(c1ccc(F)cc1)cc(c2O)O)(=O)NCCCCCn3cncc3;Oc1cc(cc(c1O)C(=O)NCCCCCn2ccnc2)c3ccc(F)cc3;c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F","InChI=1S/C21H22FN3O3/c22-17-6-4-15(5-7-17)16-12-18(20(27)19(26)13-16)21(28)24-8-2-1-3-10-25-11-9-23-14-25/h4-7,9,11-14,26-27H,1-3,8,10H2,(H,24,28)","","2016-09-08","2017-08-25","4'-fluoro-4,5-dihydroxy-N-[5-(1H-imidazol-1-yl)pentyl][1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N1B","(S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate","C16 H14 B9 N O4","COC(=O)Cc1c(C)n(C(=O)[C+]234[B-]56[B+]78[B-]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58%15[B]36%16[B]%12%14%15[B]4%11%13%16)c%17ccc(OC)cc1%17;B123B45B167B289B31B823B966B744B622C45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C","InChI=1S/C16H14B9NO4/c1-8-10(7-13(27)30-3)11-6-9(29-2)4-5-12(11)26(8)14(28)16-15-17-19-18(16)22(16)20(15,16)21(15,17)23(17,19)24(18,19,22)25(20,21,22)23/h4-6H,7H2,1-3H3","","2015-04-08","2015-06-05","","2015-06-10"],["77S","N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C24 H21 F N4 O3","c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCc3nnc(n3)Cc4ccccc4)O)O;Oc1cc(cc(c1O)C(=O)NCCc2[nH]nc(Cc3ccccc3)n2)c4ccc(F)cc4;c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F","InChI=1S/C24H21FN4O3/c25-18-8-6-16(7-9-18)17-13-19(23(31)20(30)14-17)24(32)26-11-10-21-27-22(29-28-21)12-15-4-2-1-3-5-15/h1-9,13-14,30-31H,10-12H2,(H,26,32)(H,27,28,29)","","2016-09-08","2017-08-25","N-[2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide","2017-08-30"],["N1C","N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE","C15 H20 N4 O14 P2","O=C2N3C=Nc1n(cnc12)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O;O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)[N]2C=Nc45;c1nc2c3n1C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(O5)N(C2=O)C=N3)O)O)O)O)O)O","InChI=1S/C15H20N4O14P2/c20-8-5-1-29-34(25,26)33-35(27,28)30-2-6-9(21)11(23)15(32-6)19-4-17-12-7(13(19)24)16-3-18(12)14(31-5)10(8)22/h3-6,8-11,14-15,20-23H,1-2H2,(H,25,26)(H,27,28)/t5?,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2007-04-13","2011-06-04","(2R,3R,4S,5R,8S,10S,13S,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-trien-24-one 8,10-dioxide (non-preferred name)",""],["N1D","7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one","C22 H25 N3 O6 S2","COc1ccc(cc1OC)C2=CN(C)C(=O)c3cc(sc23)C(=O)N4CCN(CC4)[S](C)(=O)=O;CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC","InChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3","","2015-04-03","2015-04-17","7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one","2015-04-22"],["77T","2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile","C14 H17 F N2 O","C1CC(C)(C(C)N1c2c(c(c(cc2)C#N)F)C)O;C[CH]1N(CC[C]1(C)O)c2ccc(C#N)c(F)c2C;Cc1c(ccc(c1F)C#N)N2CCC(C2C)(C)O","InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1","","2016-09-08","2017-04-21","2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile","2017-04-26"],["77U","2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile","C13 H15 Cl N2 O","C1(O)C(C)N(CC1)c2c(c(c(cc2)C#N)Cl)C;C[CH]1[CH](O)CCN1c2ccc(C#N)c(Cl)c2C;Cc1c(ccc(c1Cl)C#N)N2CCC(C2C)O","InChI=1S/C13H15ClN2O/c1-8-11(4-3-10(7-15)13(8)14)16-6-5-12(17)9(16)2/h3-4,9,12,17H,5-6H2,1-2H3/t9-,12-/m0/s1","","2016-09-08","2017-04-21","2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile","2017-04-26"],["N1E","methyl quinoline-6-carboxylate","C11 H9 N O2","COC(=O)c1ccc2ncccc2c1;COC(=O)c1ccc2c(c1)cccn2","InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3","","2019-11-06","2020-08-14","methyl quinoline-6-carboxylate","2020-08-19"],["77V","N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine","C17 H16 N6 O","c1cc(cc2c1c(C)nn2)Nc4nc3ccoc3c(n4)NC5CC5;Cc1n[nH]c2cc(Nc3nc(NC4CC4)c5occc5n3)ccc12;Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5","InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)","","2016-09-09","2016-10-21","N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine","2016-10-26"],["N1F","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide","C18 H20 Cl N5 O2","O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1;CC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1;CC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl","InChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25)","","2022-03-22","2023-03-24","N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide","2023-03-29"],["77W","(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid","C25 H22 F N O3","c4c(cc3CCN(c1ccc(cc1)F)C(C)(c2ccc(cc2)[C@H]=[C@H]C(O)=O)c3c4)O;C[C]1(N(CCc2cc(O)ccc12)c3ccc(F)cc3)c4ccc(C=CC(O)=O)cc4;CC1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)C=CC(=O)O","InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1","","2016-09-09","2017-03-24","(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid","2017-03-29"],["N1G","1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide","C17 H13 N7 O","C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4)=O;O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4;c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4","InChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25)","","2018-09-06","2019-04-12","1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide","2019-04-17"],["N1H","{5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID","C21 H16 N4 O5","[O-][N+](=O)c1cccc(c1)c4cc(cc(c3cc2nc(ccc2n3)N)c4O)CC(=O)O;Nc1ccc2[nH]c(cc2n1)c3cc(CC(O)=O)cc(c3O)c4cccc(c4)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O","InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)","","2005-12-19","2011-06-04","[5-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitrobiphenyl-3-yl]acetic acid",""],["77X","1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one","C15 H17 N3 O","CCC(=O)N1CCc2[nH]nc(c2C1)c3ccccc3;CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1","InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)","","2016-09-12","2016-10-07","1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one","2016-10-12"],["77Y","5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine","C22 H25 N4 O9 P","O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=CCNC(=O)Cc3c[nH]c4ccccc34)C(=O)NC2=O;c1ccc2c(c1)c(c[nH]2)CC(=O)NCC=CC3=CN(C(=O)NC3=O)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C22H25N4O9P/c27-17-9-20(35-18(17)12-34-36(31,32)33)26-11-13(21(29)25-22(26)30)4-3-7-23-19(28)8-14-10-24-16-6-2-1-5-15(14)16/h1-6,10-11,17-18,20,24,27H,7-9,12H2,(H,23,28)(H,25,29,30)(H2,31,32,33)/b4-3+/t17-,18+,20+/m0/s1","","2016-09-12","2016-09-23","[(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]prop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2016-09-28"],["N1I","3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid","C10 H8 Cl2 N4 O2","OC(=O)CCn1nc(nn1)c1cc(Cl)cc(Cl)c1;OC(=O)CCn1nnc(n1)c2cc(Cl)cc(Cl)c2;c1c(cc(cc1Cl)Cl)c2nnn(n2)CCC(=O)O","InChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)5-7)10-13-15-16(14-10)2-1-9(17)18/h3-5H,1-2H2,(H,17,18)","","2023-05-05","2023-06-09","3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid","2023-06-14"],["77Z","2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide","C23 H26 N4 O6 S","O=C2c1ccccc1N(C(=O)C2C4Nc3c(cc(OCC(=O)N)cc3)S(=O)(=O)N4)CCC(C)C;CC(C)CCN1C(=O)[CH]([CH]2Nc3ccc(OCC(N)=O)cc3[S](=O)(=O)N2)C(=O)c4ccccc14;CC(C)CCN1c2ccccc2C(=O)C(C1=O)C3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N","InChI=1S/C23H26N4O6S/c1-13(2)9-10-27-17-6-4-3-5-15(17)21(29)20(23(27)30)22-25-16-8-7-14(33-12-19(24)28)11-18(16)34(31,32)26-22/h3-8,11,13,20,22,25-26H,9-10,12H2,1-2H3,(H2,24,28)/t20-,22-/m1/s1","","2009-05-18","2011-06-04","2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide",""],["N1J","N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine","C25 H31 F N8","C6C1(CN(C1)c5ccc(Nc4ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC;CCN1CC2(C1)CN(C2)c3ccc(Nc4ncc(F)c(n4)c5cnn6CCCC[CH](C)c56)nc3;CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5C(CCCC6)C)F","InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1","","2019-04-29","2020-07-24","N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine","2020-07-29"],["780","3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE","C20 H16 N4 O","[O-]c4c(c1ccccc1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cccc(c3[O-])c4ccccc4;c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N","InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)","CRA_7806","2003-03-14","2024-09-27","3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}biphenyl-2-olate",""],["N1K","N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide","C15 H19 N7 O","CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C;CCCCCn1ccc2c1nccc2C(=O)Nc3nnnn3C","InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)","","2023-01-06","2023-10-13","~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide","2023-10-18"],["781","N-(5-hydroxynaphthalen-2-yl)propanamide","C13 H13 N O2","O=C(Nc2cc1cccc(O)c1cc2)CC;CCC(=O)Nc1ccc2c(O)cccc2c1;CCC(=O)Nc1ccc2c(c1)cccc2O","InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16)","N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form","2015-03-23","2024-09-27","N-(5-hydroxynaphthalen-2-yl)propanamide","2015-08-12"],["N1L","2-amino-2-deoxy-beta-D-glucopyranuronic acid","C6 H11 N O6","O=C(O)C1OC(O)C(N)C(O)C1O;N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;C1(C(C(C(OC1O)C(=O)O)O)O)N","InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1","2-amino-2-deoxy-beta-D-glucuronic acid; 2-amino-2-deoxy-D-glucuronic acid; 2-amino-2-deoxy-glucuronic acid","2008-03-11","2024-09-27","2-amino-2-deoxy-beta-D-glucopyranuronic acid",""],["782","(2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid","C28 H29 N O3","c3c(cc2CCN(C(c1ccc(cc1)[C@H]=[C@H]C(=O)O)(C)c2c3)c4ccc(cc4)C(C)C)O;CC(C)c1ccc(cc1)N2CCc3cc(O)ccc3[C]2(C)c4ccc(C=CC(O)=O)cc4;CC(C)c1ccc(cc1)N2CCc3cc(ccc3C2(C)c4ccc(cc4)C=CC(=O)O)O","InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1","","2016-09-12","2017-03-24","(2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid","2017-03-29"],["N1M","2-iodo-N-methylbenzamide","C8 H8 I N O","CNC(=O)c1ccccc1I;CNC(=O)c1ccccc1I","InChI=1S/C8H8INO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)","","2010-02-15","2011-06-04","2-iodo-N-methyl-benzamide",""],["N1N","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid","C21 H15 Cl2 N3 O4 S","Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCc4ccccc4)c3n2)C(O)=O)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl","InChI=1S/C21H15Cl2N3O4S/c1-10-15(22)16(23)18(24-10)19(27)26-21-25-17-13(30-9-11-5-3-2-4-6-11)7-12(20(28)29)8-14(17)31-21/h2-8,24H,9H2,1H3,(H,28,29)(H,25,26,27)","","2019-11-06","2020-09-18","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid","2020-09-23"],["783","3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE","C22 H19 N3 O2","[O-]c4c(c1ccccc1)cc(OC)cc4c3cc2cc(ccc2n3)C(=[NH2+])N;COc1cc(c([O-])c(c1)c2ccccc2)c3[nH]c4ccc(cc4c3)C(N)=[NH2+];COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4","InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24)","CRA_14783","2003-03-14","2024-09-27","3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-methoxybiphenyl-2-olate",""],["N1P","1-nitropropane","C3 H7 N O2","[O-][N+](=O)CCC;CCC[N+]([O-])=O;CCC[N+](=O)[O-]","InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3","","2014-06-10","2015-07-02","1-nitropropane","2015-07-07"],["784","[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM","C22 H32 N5 O2","O=C3N(C(=O)C4C1N(CCC1)C(c2ccc(C(=[N@H])N)cc2)C34)CCC[N+](C)(C)C;C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4ccc(cc4)C(N)=N;C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4ccc(cc4)C(=N)N","InChI=1S/C22H32N5O2/c1-27(2,3)13-5-12-26-21(28)17-16-6-4-11-25(16)19(18(17)22(26)29)14-7-9-15(10-8-14)20(23)24/h7-10,16-19H,4-6,11-13H2,1-3H3,(H3,23,24)/q+1/t16-,17-,18-,19-/m0/s1","","2005-04-12","2011-06-04","3-[(3aS,4R,8aS,8bR)-4-(4-carbamimidoylphenyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl]-N,N,N-trimethylpropan-1-aminium",""],["785","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE","C15 H11 F3 N4 O2","FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(OC(F)(F)F)ccc3[O-];c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F","InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22)","CRA_9785","2003-03-14","2024-09-27","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate",""],["N1Q","5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide","C23 H26 F2 N4 O2","COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cccc(F)c4F;COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F","InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)","","2019-11-06","2020-09-11","5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide","2020-09-16"],["786","(2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide","C24 H30 N6 O6 S2","O=C(NC(c2ccc(n1nccc1)cc2)C)C(O)C(O)C(=O)N4C(c3nc(sc3S(=O)(=O)C)NC)CCC4;CNc1sc(c(n1)[CH]2CCCN2C(=O)[CH](O)[CH](O)C(=O)N[CH](C)c3ccc(cc3)n4cccn4)[S](C)(=O)=O;CC(c1ccc(cc1)n2cccn2)NC(=O)C(C(C(=O)N3CCCC3c4c(sc(n4)NC)S(=O)(=O)C)O)O","InChI=1S/C24H30N6O6S2/c1-14(15-7-9-16(10-8-15)30-13-5-11-26-30)27-21(33)19(31)20(32)22(34)29-12-4-6-17(29)18-23(38(3,35)36)37-24(25-2)28-18/h5,7-11,13-14,17,19-20,31-32H,4,6,12H2,1-3H3,(H,25,28)(H,27,33)/t14-,17-,19-,20-/m1/s1","","2010-08-03","2011-06-04","(2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide",""],["N1R","2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide","C20 H28 Cl2 N2 O3","CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2;CC(C)(C(=O)N1CCC(CC1)CCCNC(=O)CCl)Oc2ccc(cc2)Cl","InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25)","","2022-08-11","2024-09-27","2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide","2023-09-20"],["N1S","(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol","C15 H26 O","CC(=CCCC(=CCCC(=C/CO)C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCO;CC(=CCCC(=CCCC(=CCO)C)C)C","InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-","cis,trans-Farnesol","2019-04-29","2020-06-17","(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol","2019-05-08"],["787","(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID","C7 H10 O6 P2","O=P(O)(O)C(c1ccccc1)P(=O)(O)O;O[P](O)(=O)C(c1ccccc1)[P](O)(O)=O;c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)","RU78783","2003-06-20","2020-06-17","(phenylmethanediyl)bis(phosphonic acid)",""],["N1T","1'-DEAZO-THIAMIN DIPHOSPHATE","C13 H19 N3 O7 P2 S","Cc1ccc(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O)c2C)c(N)n1;Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCOP(=O)(O)OP(=O)(O)[O-]","InChI=1S/C13H19N3O7P2S/c1-9-3-4-11(13(14)15-9)7-16-8-26-12(10(16)2)5-6-22-25(20,21)23-24(17,18)19/h3-4,8H,5-7H2,1-2H3,(H4-,14,15,17,18,19,20,21)","","1999-07-08","2011-06-04","[2-[3-[(2-amino-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["788","N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C24 H19 N5 O","O=C(NCc1ccccc1)c4ccc3nc(c5nnc(c2ccccc2)n5c3c4)C;Cc1nc2ccc(cc2n3c1nnc3c4ccccc4)C(=O)NCc5ccccc5;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5","InChI=1S/C24H19N5O/c1-16-22-27-28-23(18-10-6-3-7-11-18)29(22)21-14-19(12-13-20(21)26-16)24(30)25-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,25,30)","","2014-04-24","2014-08-01","N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2014-08-06"],["789","3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE","C15 H9 Br O3","BrC=2c1ccc(O)cc1C(=O)C=2c3ccc(O)cc3;Oc1ccc(cc1)C2=C(Br)c3ccc(O)cc3C2=O;c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O","InChI=1S/C15H9BrO3/c16-14-11-6-5-10(18)7-12(11)15(19)13(14)8-1-3-9(17)4-2-8/h1-7,17-18H","","2005-04-13","2011-06-04","3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one",""],["N1U","(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","C18 H18 Br N O4","COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O;COc1ccc(CN2C(=O)[CH](O)c3cc(Br)cc(C)c23)cc1OC;Cc1cc(cc2c1N(C(=O)C2O)Cc3ccc(c(c3)OC)OC)Br","InChI=1S/C18H18BrNO4/c1-10-6-12(19)8-13-16(10)20(18(22)17(13)21)9-11-4-5-14(23-2)15(7-11)24-3/h4-8,17,21H,9H2,1-3H3/t17-/m0/s1","","2023-08-16","2024-09-27","(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","2023-11-08"],["N1V","(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate","C28 H35 N O3 S","c1c(cccc1)C=3C2(C(C(OS(N)(=O)=O)CC2)CC=3CCCCCC)C(=C)c4ccccc4;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O[S](N)(=O)=O)[CH]3C1)C(=C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26-,28-/m0/s1","","2019-04-30","2019-08-23","(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate","2019-08-28"],["78A","N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE","C22 H29 N3 O6","O=C(NC(C(=O)N1C(C(=O)O)CCC1)C(C)CC)C3OC3C(=O)NCc2ccccc2;CC[CH](C)[CH](NC(=O)[CH]1O[CH]1C(=O)NCc2ccccc2)C(=O)N3CCC[CH]3C(O)=O;CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2C(O2)C(=O)NCc3ccccc3","InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1","CA078; N-(L-3-TRANS-BENZYLCARBAMOYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE","2006-01-05","2024-09-27","N-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-proline",""],["78B","ethyl 4-(aminomethyl)benzoate","C10 H13 N O2","CCOC(=O)c1ccc(CN)cc1;CCOC(=O)c1ccc(cc1)CN","InChI=1S/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3","","2015-02-10","2016-02-12","ethyl 4-(aminomethyl)benzoate","2016-02-17"],["N1W","(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid","C30 H41 N7 O7","CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3;CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(Cc3ccc(cc3)O)C(=O)O","InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1","","2019-11-06","2024-09-27","(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid","2019-12-04"],["N1X","(2S)-2-(5-methylfuran-2-yl)oxane","C10 H14 O2","Cc1oc(cc1)C1CCCCO1;Cc1oc(cc1)[CH]2CCCCO2;Cc1ccc(o1)C2CCCCO2","InChI=1S/C10H14O2/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1","","2022-03-23","2024-09-27","(2S)-2-(5-methylfuran-2-yl)oxane","2022-03-30"],["78C","CYCLOPENTYL 2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATE","C15 H17 N O3","O=C(OC1CCCC1)N3C(=O)CC3c2ccccc2;O=C1C[CH](N1C(=O)OC2CCCC2)c3ccccc3;c1ccc(cc1)C2CC(=O)N2C(=O)OC3CCCC3","InChI=1S/C15H17NO3/c17-14-10-13(11-6-2-1-3-7-11)16(14)15(18)19-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10H2/t13-/m0/s1","","2013-02-11","2014-09-05","cyclopentyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate","2013-05-22"],["78D","(6E,8E)-11-{[(3S)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid","C16 H26 N2 O4","N1NCCCC1C(OCC[C@H]=[C@H][C@H]=[C@H]CCCCC(=O)O)=O;OC(=O)CCCCC=CC=CCCOC(=O)[CH]1CCCNN1;C1CC(NNC1)C(=O)OCCC=CC=CCCCCC(=O)O","InChI=1S/C16H26N2O4/c19-15(20)11-7-5-3-1-2-4-6-8-13-22-16(21)14-10-9-12-17-18-14/h1-2,4,6,14,17-18H,3,5,7-13H2,(H,19,20)/b2-1+,6-4+/t14-/m0/s1","","2016-09-12","2017-01-20","(6E,8E)-11-{[(3S)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid","2017-01-25"],["N1Y","2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine","C10 H11 Cl N4 O2","[O-][N+](=O)/C=C1NCCN1Cc2cnc(Cl)cc2;[O-][N+](=O)C=C1NCCN1Cc2ccc(Cl)nc2;c1cc(ncc1CN2CCNC2=C[N+](=O)[O-])Cl","InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+","","2014-04-21","2015-01-30","2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine","2015-02-04"],["78E","3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone","C30 H42 N4 O6","N1N3CCCC1C(OCCC=CC=CCCCCC(=O)NC(C(NC(Cc2cc(O)ccc2)C3=O)=O)C(C)C)=O;CC(C)[CH]1NC(=O)CCCCC=CC=CCCOC(=O)[CH]2CCC[N](N2)C(=O)[CH](Cc3cccc(O)c3)NC1=O;CC(C)C1C(=O)NC(C(=O)N2CCCC(N2)C(=O)OCCC=CC=CCCCCC(=O)N1)Cc3cccc(c3)O","InChI=1S/C30H42N4O6/c1-21(2)27-28(37)31-25(20-22-13-11-14-23(35)19-22)29(38)34-17-12-15-24(33-34)30(39)40-18-10-8-6-4-3-5-7-9-16-26(36)32-27/h3-4,6,8,11,13-14,19,21,24-25,27,33,35H,5,7,9-10,12,15-18,20H2,1-2H3,(H,31,37)(H,32,36)/b4-3+,8-6+/t24-,25-,27-/m0/s1","","2016-09-12","2017-01-20","(3S,6S,13E,15E,21S)-3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone","2017-01-25"],["N1Z","hydrogen [(1S)-1-hydroxy-2-(3-octyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","C13 H26 N2 O7 P2","[O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1cc[n+](c1)CCCCCCCC;CCCCCCCC[n+]1ccn(C[C](O)([P](O)(O)=O)[P](O)([O-])=O)c1;CCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]","InChI=1S/C13H26N2O7P2/c1-2-3-4-5-6-7-8-14-9-10-15(12-14)11-13(16,23(17,18)19)24(20,21)22/h9-10,12,16H,2-8,11H2,1H3,(H3-,17,18,19,20,21,22)","","2013-10-24","2014-12-05","hydrogen [(1S)-1-hydroxy-2-(3-octyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","2014-12-10"],["78F","(2R,3R,4S,5S,6E,8E)-11-{[(3S)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid","C20 H34 N2 O6","C(C)(C(=O)O)C(OC)C(C)C([C@H]=CC=CCCOC(C1CCCNN1)=O)OC;CO[CH](C=CC=CCCOC(=O)[CH]1CCCNN1)[CH](C)[CH](OC)[CH](C)C(O)=O;CC(C(C=CC=CCCOC(=O)C1CCCNN1)OC)C(C(C)C(=O)O)OC","InChI=1S/C20H34N2O6/c1-14(18(27-4)15(2)19(23)24)17(26-3)11-7-5-6-8-13-28-20(25)16-10-9-12-21-22-16/h5-7,11,14-18,21-22H,8-10,12-13H2,1-4H3,(H,23,24)/b6-5+,11-7+/t14-,15+,16-,17-,18+/m0/s1","","2016-09-12","2017-01-20","(2R,3R,4S,5S,6E,8E)-11-{[(3S)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid","2017-01-25"],["N20","6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE","C18 H21 N5 O2","n2c1c(ncn1)c(nc2Nc3ccc(O)cc3)OCC4CCCCC4;Oc1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1;c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O","InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)","","2003-06-10","2011-06-04","4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenol",""],["78G","2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium","C22 H33 N10 O7","COCN1C=C(C[NH+](CC[CH](N)C(O)=O)CC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N;COCN1C=C(C(=NC1=O)N)C[NH+](CCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CCC(C(=O)O)N","InChI=1S/C22H32N10O7/c1-38-10-31-7-11(17(24)29-22(31)37)6-30(4-2-12(23)21(35)36)5-3-13-15(33)16(34)20(39-13)32-9-28-14-18(25)26-8-27-19(14)32/h7-9,12-13,15-16,20,33-34H,2-6,10,23H2,1H3,(H,35,36)(H2,24,29,37)(H2,25,26,27)/p+1/t12-,13+,15+,16+,20+/m0/s1","","2016-09-12","2017-09-15","2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium","2017-09-20"],["N21","(2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid","C22 H20 N2 O9 S2","OC(=O)CC[CH](N[S](=O)(=O)c1ccc(COc2ccc(cc2)C=C3SC(=O)NC3=O)cc1)C(O)=O;c1cc(ccc1COc2ccc(cc2)C=C3C(=O)NC(=O)S3)S(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C22H20N2O9S2/c25-19(26)10-9-17(21(28)29)24-35(31,32)16-7-3-14(4-8-16)12-33-15-5-1-13(2-6-15)11-18-20(27)23-22(30)34-18/h1-8,11,17,24H,9-10,12H2,(H,25,26)(H,28,29)(H,23,27,30)/b18-11-/t17-/m1/s1","","2011-01-20","2011-10-14","(2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid",""],["78H","7,8-DIHYDROPTEROATE","C14 H14 N6 O3","O=C(O)c1ccc(cc1)NCC2=NC=3C(=O)NC(=NC=3NC2)N;NC1=NC2=C(N=C(CNc3ccc(cc3)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N","InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)","","2011-01-17","2011-06-04","4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid",""],["N22","5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine","C17 H20 N4 O2","n2c(c(C#CCc1cc(OC)ccc1OC)c(nc2N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC;CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC","InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)","","2008-04-11","2011-06-04","5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine",""],["N23","N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide","C16 H16 N2 O S","O=C(NCCc2c1ccccc1nc2C)c3sccc3;Cc1[nH]c2ccccc2c1CCNC(=O)c3sccc3;Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3","InChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)","","2008-07-31","2011-06-04","N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide",""],["78I","(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid","C5 H8 O4","O[CH](C(O)=O)C1(O)CC1;C1CC1(C(C(=O)O)O)O","InChI=1S/C5H8O4/c6-3(4(7)8)5(9)1-2-5/h3,6,9H,1-2H2,(H,7,8)/t3-/m0/s1","","2021-08-04","2022-08-05","(2~{R})-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid","2022-08-10"],["78J","(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one","C21 H30 N4 O2","CC1=Cc2ccnc(N[CH]3CCNC[CH]3OCC4CCCCC4)c2NC1=O;CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3OCC4CCCCC4","InChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1","","2015-07-11","2015-08-07","8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one","2015-08-12"],["N24","(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one","C15 H11 Br Cl N O2 S","Clc3cc(N2C(=O)CSC2c1cc(Br)ccc1)c(O)cc3;Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3;c1cc(cc(c1)Br)C2N(C(=O)CS2)c3cc(ccc3O)Cl","InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1","","2008-07-31","2011-06-04","(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one",""],["78K","(2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid","C21 H30 N10 O7","COCN1C=C(CN(CC[CH](N)C(O)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N;COCN1C=C(C(=NC1=O)N)CN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C21H30N10O7/c1-37-9-30-5-10(16(23)28-21(30)36)4-29(3-2-11(22)20(34)35)6-12-14(32)15(33)19(38-12)31-8-27-13-17(24)25-7-26-18(13)31/h5,7-8,11-12,14-15,19,32-33H,2-4,6,9,22H2,1H3,(H,34,35)(H2,23,28,36)(H2,24,25,26)/t11-,12-,14-,15-,19-/m1/s1","","2016-09-12","2017-09-15","(2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid","2017-09-20"],["N25","1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE","C21 H27 N3 O8 S2","O=S(=O)(c1ccc(OC)cc1)N2C(N(CC(C)(C2)C)S(=O)(=O)c3ccc(OC)cc3)C(=O)NO;COc1ccc(cc1)[S](=O)(=O)N2CC(C)(C)CN(C2C(=O)NO)[S](=O)(=O)c3ccc(OC)cc3;CC1(CN(C(N(C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C","InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)","","1999-07-08","2011-06-04","N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethylhexahydropyrimidine-2-carboxamide",""],["78L","~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide","C33 H30 F2 N4 O4 S","Fc1cc(F)c(Nc2ccc3C(=O)c4cc(ccc4CCc3c2)C(=O)NCCN5CCOCC5)cc1NC(=O)c6sccc6;c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6","InChI=1S/C33H30F2N4O4S/c34-26-18-27(35)29(38-33(42)30-2-1-15-44-30)19-28(26)37-23-7-8-24-21(16-23)5-3-20-4-6-22(17-25(20)31(24)40)32(41)36-9-10-39-11-13-43-14-12-39/h1-2,4,6-8,15-19,37H,3,5,9-14H2,(H,36,41)(H,38,42)","","2016-09-13","2017-04-14","~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide","2017-04-19"],["N26","naphthalene-2,6-diyl bis[dihydrogen (phosphate)]","C10 H10 O8 P2","O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O;O[P](O)(=O)Oc1ccc2cc(O[P](O)(O)=O)ccc2c1;c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C10H10O8P2/c11-19(12,13)17-9-3-1-7-5-10(18-20(14,15)16)4-2-8(7)6-9/h1-6H,(H2,11,12,13)(H2,14,15,16)","","2016-10-14","2017-10-20","naphthalene-2,6-diyl bis[dihydrogen (phosphate)]","2017-10-25"],["78M","(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE","C18 H34 O4","O=C(OCC(O)CO)CCCCCC=C/CCCCCCC;CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO;CCCCCCCC=CCCCCCC(=O)OCC(CO)O","InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1","7.8 MONOACYLGLYCEROL","2012-01-19","2021-03-01","(2S)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate","2013-02-01"],["N27","N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide","C30 H37 N O","C=C(C21C(C(NC(C)=O)CC1)CC(CCCCCC)=C2c3ccccc3)c4ccccc4;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](NC(C)=O)[CH]3C1)C(=C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C30H37NO/c1-4-5-6-9-18-26-21-27-28(31-23(3)32)19-20-30(27,22(2)24-14-10-7-11-15-24)29(26)25-16-12-8-13-17-25/h7-8,10-17,27-28H,2,4-6,9,18-21H2,1,3H3,(H,31,32)/t27-,28-,30-/m0/s1","","2019-04-30","2019-08-23","N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide","2019-08-28"],["78N","(2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE","C18 H34 O4","O=C(OCC(O)CO)CCCCCC=C/CCCCCCC;CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO;CCCCCCCC=CCCCCCC(=O)OCC(CO)O","InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m1/s1","7.8 MONOACYLGLYCEROL (2R)","2012-01-19","2021-03-01","(2R)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate","2013-02-01"],["N28","4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide","C20 H26 N4 O4","NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1;c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO","InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26)","","2019-11-07","2020-10-30","4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide","2020-11-04"],["78O","(2R,3R,6E)-7-{3-[(1R)-1-{[(3S)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid","C22 H32 N2 O5","N1CCCC(N1)C(OC(C)c2cc(ccc2)C=CCCC(C(C(=O)O)C)OC)=O;CO[CH](CCC=Cc1cccc(c1)[CH](C)OC(=O)[CH]2CCCNN2)[CH](C)C(O)=O;CC(c1cccc(c1)C=CCCC(C(C)C(=O)O)OC)OC(=O)C2CCCNN2","InChI=1S/C22H32N2O5/c1-15(21(25)26)20(28-3)12-5-4-8-17-9-6-10-18(14-17)16(2)29-22(27)19-11-7-13-23-24-19/h4,6,8-10,14-16,19-20,23-24H,5,7,11-13H2,1-3H3,(H,25,26)/b8-4+/t15-,16-,19+,20-/m1/s1","","2016-09-12","2017-01-20","(2R,3R,6E)-7-{3-[(1R)-1-{[(3S)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid","2017-01-25"],["N29","~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide","C7 H10 N2 O2","CCC(=O)Nc1cc(C)on1;CCC(=O)Nc1cc(on1)C","InChI=1S/C7H10N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h4H,3H2,1-2H3,(H,8,9,10)","","2022-08-11","2024-09-27","~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide","2022-09-28"],["N2A","N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide","C34 H33 Cl2 F N6 O3","Fc1ccc(cc1)C(=O)NCc2c(Cl)ccc(c2)C3=CN=CN(C3=O)CCCN6CCC(N5c4cc(Cl)ccc4N(C5=O)C)CC6;CN1C(=O)N(C2CCN(CCCN3C=NC=C(C3=O)c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc(Cl)ccc16;CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl","InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)18-31(30)43(34(40)46)27-11-15-41(16-12-27)13-2-14-42-21-38-20-28(33(42)45)23-5-9-29(36)24(17-23)19-39-32(44)22-3-7-26(37)8-4-22/h3-10,17-18,20-21,27H,2,11-16,19H2,1H3,(H,39,44)","","2010-04-29","2011-06-04","N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide",""],["78P","(2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium","C13 H16 N4 O","O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3;C[C]1(CCCN1)c2[nH]c3c(cccc3C(N)=O)n2;CC1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N","InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1","Veliparib","2007-10-09","2021-03-01","2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide",""],["78Q","(2R,3R,6E)-7-[3-({[(3S)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid","C21 H30 N2 O5","N1NCCCC1C(OCc2cccc(c2)C=CCCC(C(C(O)=O)C)OC)=O;CO[CH](CCC=Cc1cccc(COC(=O)[CH]2CCCNN2)c1)[CH](C)C(O)=O;CC(C(CCC=Cc1cccc(c1)COC(=O)C2CCCNN2)OC)C(=O)O","InChI=1S/C21H30N2O5/c1-15(20(24)25)19(27-2)11-4-3-7-16-8-5-9-17(13-16)14-28-21(26)18-10-6-12-22-23-18/h3,5,7-9,13,15,18-19,22-23H,4,6,10-12,14H2,1-2H3,(H,24,25)/b7-3+/t15-,18+,19-/m1/s1","","2016-09-12","2017-01-20","(2R,3R,6E)-7-[3-({[(3S)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid","2017-01-25"],["N2B","ETHYLBENZENE","C8 H10","c1(ccccc1)CC;CCc1ccccc1;CCc1ccccc1","InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3","","1999-07-08","2018-04-17","ethylbenzene",""],["N2C","N,S-DIMETHYLCYSTEINE","C5 H11 N O2 S","O=C(O)C(NC)CSC;CN[CH](CSC)C(O)=O;CNC(CSC)C(=O)O","InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1","","2004-11-02","2024-09-27","N,S-dimethyl-L-cysteine",""],["78R","11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone","C35 H46 N4 O7","N1N4CCCC1C(OCc2cccc(c2)C=CCCC(C(C(NC(C(=O)NC(Cc3cccc(c3)O)C4=O)C(C)C)=O)C)OC)=O;CO[CH]1CCC=Cc2cccc(COC(=O)[CH]3CCC[N](N3)C(=O)[CH](Cc4cccc(O)c4)NC(=O)[CH](NC(=O)[CH]1C)C(C)C)c2;CC1C(CCC=Cc2cccc(c2)COC(=O)C3CCCN(N3)C(=O)C(NC(=O)C(NC1=O)C(C)C)Cc4cccc(c4)O)OC","InChI=1S/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/b10-5+/t23-,28+,29+,30-,31+/m1/s1","","2016-09-12","2017-01-20","(5~{S},11~{S},14~{S},17~{R},18~{R},21~{E})-11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-propan-2-yl-3-oxa-9,12,15,28-tetrazatricyclo[21.3.1.1^{5,9}]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone","2017-01-25"],["N2D","N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide","C34 H34 Cl2 N6 O3","Clc1ccc2c(c1)N(C(=O)N2C)C6CCN(CCCN3N=C(C=CC3=O)c4ccc(Cl)c(c4)CNC(=O)c5ccccc5)CC6;CN1C(=O)N(C2CCN(CCCN3N=C(C=CC3=O)c4ccc(Cl)c(CNC(=O)c5ccccc5)c4)CC2)c6cc(Cl)ccc16;CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl","InChI=1S/C34H34Cl2N6O3/c1-39-30-12-9-26(35)21-31(30)42(34(39)45)27-14-18-40(19-15-27)16-5-17-41-32(43)13-11-29(38-41)24-8-10-28(36)25(20-24)22-37-33(44)23-6-3-2-4-7-23/h2-4,6-13,20-21,27H,5,14-19,22H2,1H3,(H,37,44)","","2010-04-29","2011-06-04","N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide",""],["78S","(2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid","C20 H35 O7 P","CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O;CC(=CCCC(=CCCC(=CCOC(COP(=O)(OC)OC)C(=O)O)C)C)C","InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13-/t19-/m1/s1","","2016-09-23","2017-09-15","(2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid","2017-09-20"],["N2E","~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide","C23 H18 F N7 O2","Cc1oc(c(C)n1)C(=O)Nc2ccc(F)c(c2)c3nn4cc(cnc4n3)c5ncccc5C;Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C","InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)","","2019-11-07","2020-08-21","~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide","2020-08-26"],["78T","oxidanylphosphinate","H2 O3 P","O[PH]([O-])=O;OP(=O)[O-]","InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1","","2016-09-13","2017-12-01","oxidanylphosphinate","2017-12-06"],["N2F","2-[(4-methylphenyl)sulfonyl]-5-nitrofuran","C11 H9 N O5 S","O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(cc2)C;Cc1ccc(cc1)[S](=O)(=O)c2oc(cc2)[N+]([O-])=O;Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]","InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3","NSC697923","2014-02-07","2024-09-27","2-[(4-methylphenyl)sulfonyl]-5-nitrofuran","2015-05-06"],["78U","(betaS)-beta-methyl-L-tryptophan","C12 H14 N2 O2","OC(C(C(C)c2c1c(cccc1)nc2)N)=O;C[CH]([CH](N)C(O)=O)c1c[nH]c2ccccc12;CC(c1c[nH]c2c1cccc2)C(C(=O)O)N","InChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11-/m0/s1","","2016-09-12","2016-12-16","(betaS)-beta-methyl-L-tryptophan","2016-12-21"],["N2G","2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)","C21 H22 N5 O7 P","O=C3c4ncn(c4N=C(NCc2c1ccccc1ccc2)N3)C5OC(C(O)C5)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4cccc5ccccc45;c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4C5CC(C(O5)COP(=O)(O)O)O)C(=O)N3","InChI=1S/C21H22N5O7P/c27-15-8-17(33-16(15)10-32-34(29,30)31)26-11-23-18-19(26)24-21(25-20(18)28)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15-17,27H,8-10H2,(H2,29,30,31)(H2,22,24,25,28)/t15-,16+,17+/m0/s1","","2008-09-26","2011-06-04","2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)",""],["78V","4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one","C18 H25 N9 O5","COCN1C=CC(=NC1=O)NCCNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;COCN1C=CC(=NC1=O)NCCNCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H25N9O5/c1-31-9-26-5-2-11(25-18(26)30)21-4-3-20-6-10-13(28)14(29)17(32-10)27-8-24-12-15(19)22-7-23-16(12)27/h2,5,7-8,10,13-14,17,20,28-29H,3-4,6,9H2,1H3,(H2,19,22,23)(H,21,25,30)/t10-,13-,14-,17-/m1/s1","","2016-09-14","2017-09-15","4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one","2017-09-20"],["78W","2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate","C17 H13 Cl2 F N2 O2 S","CC(=O)CSC(NC(=O)c1c(F)cccc1Cl)=Nc2ccc(Cl)cc2;CC(=O)CSC(=Nc1ccc(cc1)Cl)NC(=O)c2c(cccc2Cl)F","InChI=1S/C17H13Cl2FN2O2S/c1-10(23)9-25-17(21-12-7-5-11(18)6-8-12)22-16(24)15-13(19)3-2-4-14(15)20/h2-8H,9H2,1H3,(H,21,22,24)","","2016-09-14","2016-10-14","2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate","2016-10-19"],["N2H","(4-azanylbutylamino)methanediol","C5 H14 N2 O2","NCCCCNC(O)O;C(CCNC(O)O)CN","InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2","N-(dihydroxymethyl)putrescine","2015-12-31","2024-09-27","(4-azanylbutylamino)methanediol","2016-04-20"],["N2I","N-(naphthalen-2-yl)methanimine","C11 H9 N","N(=C)c2ccc1c(cccc1)c2;C=Nc1ccc2ccccc2c1;C=Nc1ccc2ccccc2c1","InChI=1S/C11H9N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H2","","2013-03-28","2013-08-02","N-(naphthalen-2-yl)methanimine","2013-08-07"],["78X","11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone","C36 H48 N4 O7","N14NC(CCC1)C(OC(c2cccc(c2)C=CCCC(C(C(=O)NC(C(NC(Cc3cccc(c3)O)C4=O)=O)C(C)C)C)OC)C)=O;CO[CH]1CCC=Cc2cccc(c2)[CH](C)OC(=O)[CH]3CCC[N](N3)C(=O)[CH](Cc4cccc(O)c4)NC(=O)[CH](NC(=O)[CH]1C)C(C)C;CC1c2cccc(c2)C=CCCC(C(C(=O)NC(C(=O)NC(C(=O)N3CCCC(N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC","InChI=1S/C36H48N4O7/c1-22(2)32-34(43)37-30(21-26-13-9-15-28(41)20-26)35(44)40-18-10-16-29(39-40)36(45)47-24(4)27-14-8-12-25(19-27)11-6-7-17-31(46-5)23(3)33(42)38-32/h6,8-9,11-15,19-20,22-24,29-32,39,41H,7,10,16-18,21H2,1-5H3,(H,37,43)(H,38,42)/b11-6+/t23-,24-,29+,30+,31-,32+/m1/s1","","2016-09-12","2017-01-20","(2~{R},5~{S},11~{S},14~{S},17~{R},18~{R},21~{E})-11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-propan-2-yl-3-oxa-9,12,15,28-tetrazatricyclo[21.3.1.1^{5,9}]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone","2017-01-25"],["78Y","5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide","C10 H10 N4 O","Cc1nn(nc1C(N)=O)c2ccccc2;Cc1c(nn(n1)c2ccccc2)C(=O)N","InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)","","2016-09-15","2016-10-21","5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide","2016-10-26"],["N2J","N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide","C28 H36 N2 O2 S","C3C1C(NS(N)(=O)=O)CCC1(C(=C)c2ccccc2)C(=C3CCCCCC)c4ccccc4;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](N[S](N)(=O)=O)[CH]3C1)C(=C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25-,26-,28-/m0/s1","","2019-04-30","2019-08-23","N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide","2019-08-28"],["N2K","~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide","C14 H21 F3 N2 O2 S","CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F;CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F","InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3","","2019-11-08","2020-10-09","~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide","2020-10-14"],["78Z","2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C14 H11 F5 N6","Cc1cc(n2c(n1)nc(C(C)(F)F)n2)Nc3ccc(C(F)(F)F)nc3;Cc1cc(Nc2ccc(nc2)C(F)(F)F)n3nc(nc3n1)C(C)(F)F;Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F","InChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3","","2016-09-13","2016-09-23","2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2016-09-28"],["790","1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE","C9 H12 N O4 P","O=P(O)(O)Oc1cccc2c1NCCC2;O[P](O)(=O)Oc1cccc2CCCNc12;c1cc2c(c(c1)OP(=O)(O)O)NCCC2","InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)","RU79073","2003-06-20","2020-06-17","1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate",""],["N2L","4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide","C47 H53 N7 O7 S","[O-][N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)N6CCC7(CC6)CC(C7)N8CCC[CH]8c9ccccc9C%10CC%10;c1ccc(c(c1)C2CC2)C3CCCN3C4CC5(C4)CCN(CC5)c6ccc(c(c6)Oc7cc8cc[nH]c8nc7)C(=O)NS(=O)(=O)c9ccc(c(c9)[N+](=O)[O-])NCC1CCOCC1","InChI=1S/C47H53N7O7S/c55-46(51-62(58,59)37-10-12-41(43(26-37)54(56)57)49-29-31-14-22-60-23-15-31)40-11-9-34(25-44(40)61-36-24-33-13-18-48-45(33)50-30-36)52-20-16-47(17-21-52)27-35(28-47)53-19-3-6-42(53)39-5-2-1-4-38(39)32-7-8-32/h1-2,4-5,9-13,18,24-26,30-32,35,42,49H,3,6-8,14-17,19-23,27-29H2,(H,48,50)(H,51,55)/t42-/m0/s1","","2023-01-06","2024-05-10","4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide","2024-05-15"],["N2M","5-AMINO-NAPHTALENE-2-MONOSULFONATE","C10 H9 N O3 S","O=S(=O)(O)c1ccc2c(c1)cccc2N;Nc1cccc2cc(ccc12)[S](O)(=O)=O;c1cc2cc(ccc2c(c1)N)S(=O)(=O)O","InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)","","2006-10-19","2011-06-04","5-aminonaphthalene-2-sulfonic acid",""],["791","2-PHENYLMALONIC ACID","C9 H8 O4","O=C(O)C(C(=O)O)c1ccccc1;OC(=O)C(C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)C(=O)O","InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)","RU78191","2003-06-20","2021-03-01","phenylpropanedioic acid",""],["792","N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan","C22 H22 N2 O5 S","O=S(=O)(c1ccc(OCC#CC)cc1)NC(C(=O)O)Cc3c2cc(ccc2nc3)C;CC#CCOc1ccc(cc1)[S](=O)(=O)N[CH](Cc2c[nH]c3ccc(C)cc23)C(O)=O;CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc2c[nH]c3c2cc(cc3)C)C(=O)O","InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1","","2009-02-05","2011-06-04","N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan",""],["N2N","dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","C26 H31 Cl2 N3 O8 Pt","COc6cc(C4c1c(cc2c(c1)OCO2)C(NC(CCC3N[Pt](Cl)(Cl)NC3)=O)C5COC(C45)=O)cc(c6O)OC;COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|NC4)(Cl)Cl)c5cc6OCOc6cc25;COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4","InChI=1S/C26H31N3O8.2ClH.Pt/c1-33-19-5-12(6-20(34-2)25(19)31)22-14-7-17-18(37-11-36-17)8-15(14)24(16-10-35-26(32)23(16)22)29-21(30)4-3-13(28)9-27;;;/h5-8,13,16,22-24,31H,3-4,9-11,27-28H2,1-2H3,(H,29,30);2*1H;/q;;;+2/p-2/t13-,16+,22-,23+,24+;;;/m1.../s1","","2017-01-23","2017-12-06","dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","2017-08-23"],["N2O","NITROUS OXIDE","N2 O","[O-][N+]#N;[O-][N+]#N;N#[N+][O-]","InChI=1S/N2O/c1-2-3","NITROGEN OXIDE","2006-09-20","2021-03-01","nitrogen oxide",""],["793","3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione","C17 H15 N3 O2","O=C3C(=O)C(Nc1ccncc1)=C3NC(c2ccccc2)C;C[CH](NC1=C(Nc2ccncc2)C(=O)C1=O)c3ccccc3;CC(c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3","InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1","","2009-01-06","2011-06-04","3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione",""],["N2P","PENTANE-1,5-DIAMINE","C5 H14 N2","NCCCCCN;NCCCCCN;C(CCN)CCN","InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2","","2002-05-23","2024-09-27","pentane-1,5-diamine",""],["794","2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID","C19 H13 N O5","O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O;OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23;c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O","InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)","COMPOUND 5; 2-(NAPHTHALEN-1-YL-OXALYL-AMINO)-BENZOIC ACID","2003-01-30","2020-05-26","2-[(carboxycarbonyl)(naphthalen-1-yl)amino]benzoic acid",""],["N2Q","(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole","C8 H8 N2 O","Cc1ccc(o1)c1[NH]ncc1;Cc1oc(cc1)c2[nH]ncc2;Cc1ccc(o1)c2ccn[nH]2","InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)","","2022-03-23","2024-09-27","(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole","2022-03-30"],["795","2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde","C9 H6 N2 O S","O=Cc1nc(sc1)c2cnccc2;O=Cc1csc(n1)c2cccnc2;c1cc(cnc1)c2nc(cs2)C=O","InChI=1S/C9H6N2OS/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H","","2011-01-28","2011-06-04","2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde",""],["796","N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE","C19 H19 Cl2 N5 O S","O=C(c2sc(c1nc(ncc1)NC)cc2)NC(Cc3ccc(Cl)cc3Cl)CN;CNc1nccc(n1)c2sc(cc2)C(=O)N[CH](CN)Cc3ccc(Cl)cc3Cl;CNc1nccc(n1)c2ccc(s2)C(=O)NC(Cc3ccc(cc3Cl)Cl)CN","InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1","NOVARTIS 273796","2006-05-23","2020-06-17","N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide",""],["N2R","dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","C26 H31 Cl2 N3 O8 Pt","Cl[Pt]6(Cl)NCC(CCC(NC2c5c(C(c1cc(OC)c(c(c1)OC)O)C3C2COC3=O)cc4OCOc4c5)=O)N6;COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|NC4)(Cl)Cl)c5cc6OCOc6cc25;COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4","InChI=1S/C26H31N3O8.2ClH.Pt/c1-33-19-5-12(6-20(34-2)25(19)31)22-14-7-17-18(37-11-36-17)8-15(14)24(16-10-35-26(32)23(16)22)29-21(30)4-3-13(28)9-27;;;/h5-8,13,16,22-24,31H,3-4,9-11,27-28H2,1-2H3,(H,29,30);2*1H;/q;;;+2/p-2/t13-,16-,22+,23-,24-;;;/m0.../s1","","2016-09-15","2017-12-06","dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","2017-08-23"],["N2S","chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","C26 H31 Cl N3 O8 Pt","Cl[Pt]6NCC(CCC(NC2c5c(C(c1cc(OC)c(c(c1)OC)O)C3C2COC3=O)cc4OCOc4c5)=O)N6;COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25;COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)Cl)OCO4","InChI=1S/C26H31N3O8.ClH.Pt/c1-33-19-5-12(6-20(34-2)25(19)31)22-14-7-17-18(37-11-36-17)8-15(14)24(16-10-35-26(32)23(16)22)29-21(30)4-3-13(28)9-27;;/h5-8,13,16,22-24,31H,3-4,9-11,27-28H2,1-2H3,(H,29,30);1H;/q;;+1/p-1/t13-,16-,22+,23+,24+;;/m0../s1","","2016-09-15","2017-12-06","chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","2017-08-23"],["797","3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL","C17 H11 N O3","Oc4ccc3cc(c2noc1cc(O)ccc12)ccc3c4;Oc1ccc2c(onc2c3ccc4cc(O)ccc4c3)c1;c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O","InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H","","2004-08-02","2011-06-04","3-(6-hydroxynaphthalen-2-yl)-1,2-benzisoxazol-6-ol",""],["798","{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone","C22 H21 N O2 S","O=C(c2ccc(c1ccsc1)cc2)c4ccc(OCC3NCCC3)cc4;O=C(c1ccc(OC[CH]2CCCN2)cc1)c3ccc(cc3)c4cscc4;c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OCC4CCCN4","InChI=1S/C22H21NO2S/c24-22(17-5-3-16(4-6-17)19-11-13-26-15-19)18-7-9-21(10-8-18)25-14-20-2-1-12-23-20/h3-11,13,15,20,23H,1-2,12,14H2/t20-/m1/s1","","2009-01-20","2011-06-04","{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone",""],["N2T","(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE","C23 H25 F2 N3 O","Fc1cc(c(F)cc1)C4=CC(c2ccccc2)N(C(=O)N(C)C3CCNCC3)C4;CN(C1CCNCC1)C(=O)N2CC(=C[CH]2c3ccccc3)c4cc(F)ccc4F;CN(C1CCNCC1)C(=O)N2CC(=CC2c3ccccc3)c4cc(ccc4F)F","InChI=1S/C23H25F2N3O/c1-27(19-9-11-26-12-10-19)23(29)28-15-17(20-14-18(24)7-8-21(20)25)13-22(28)16-5-3-2-4-6-16/h2-8,13-14,19,22,26H,9-12,15H2,1H3/t22-/m0/s1","","2006-01-17","2011-06-04","(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-piperidin-4-yl-2,5-dihydro-1H-pyrrole-1-carboxamide",""],["N2U","O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate","C24 H30 N2 O6","CCOC(=O)C1=CC[C](N[CH]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C;CCOC(=O)C1=CCC(NC1C(=O)OC(C)(C)C)(c2cc3ccccc3n2C)C(=O)OC","InChI=1S/C24H30N2O6/c1-7-31-20(27)16-12-13-24(22(29)30-6,25-19(16)21(28)32-23(2,3)4)18-14-15-10-8-9-11-17(15)26(18)5/h8-12,14,19,25H,7,13H2,1-6H3/t19-,24+/m0/s1","","2022-08-11","2023-09-23","~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-2,5-dihydro-1~{H}-pyridine-2,3,6-tricarboxylate","2022-08-24"],["799","2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide","C24 H28 N8 O2","C(N)(C(C)(C)n5cc(c1cc2c(cc1)c3n(CCO2)cc(n3)c4nc(C)nn4C(C)C)cn5)=O;CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(N)=O;Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N","InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)","taselisib","2016-09-13","2021-03-01","2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide","2017-01-11"],["79A","3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile","C17 H12 F3 N O4 S","N#Cc1cc(cc(c1)F)Oc2ccc(c3c2CC(C3O)(F)F)S(C)(=O)=O;C[S](=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3CC(F)(F)[CH](O)c13;CS(=O)(=O)c1ccc(c2c1C(C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N","InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1","PT2385","2016-09-14","2021-03-01","3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile","2016-09-21"],["N2V","N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine","C50 H47 Cl2 N3 O6","c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC;CC[CH](N1Cc2cc3O[CH](COc3cc2C[CH]1C(=O)N[CH](Cc4ccc(cc4)c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c(Cl)c7)cc6)c8ccccc8;CCC(c1ccccc1)N2Cc3cc4c(cc3CC2C(=O)NC(Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OCC(O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl","InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1","","2019-05-01","2020-01-03","N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine","2020-01-08"],["N2W","chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","C26 H31 Cl N3 O8 Pt","COc1c(c(cc(c1)C2C6C(C(c4c2cc3c(OCO3)c4)NC(=O)CCC5CN[Pt](Cl)N5)COC6=O)OC)O;COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25;COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)Cl)OCO4","InChI=1S/C26H31N3O8.ClH.Pt/c1-33-19-5-12(6-20(34-2)25(19)31)22-14-7-17-18(37-11-36-17)8-15(14)24(16-10-35-26(32)23(16)22)29-21(30)4-3-13(28)9-27;;/h5-8,13,16,22-24,31H,3-4,9-11,27-28H2,1-2H3,(H,29,30);1H;/q;;+1/p-1/t13-,16+,22-,23-,24-;;/m1../s1","","2017-01-25","2017-12-06","chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum","2017-08-23"],["79B","11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid","C33 H34 N4 O2","OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5;c1ccc2c(c1)c(nc(n2)c3cccnc3)NC4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O","InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m1/s1","","2016-09-15","2024-09-27","11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid","2017-10-25"],["N2X","(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one","C17 H16 Br N O3","CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O;CCOc1ccccc1CN2C(=O)[CH](O)c3cc(Br)ccc23;CCOc1ccccc1CN2c3ccc(cc3C(C2=O)O)Br","InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1","","2023-08-16","2024-09-27","(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one","2023-11-08"],["79C","4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","C27 H35 F2 N7 O3","c2c(C(=O)NC1CCN(CC1)C)ccc(c2OC)Nc3ncc4c(n3)N(CC(C(N4C)=O)(F)F)C5CCCC5;COc1cc(ccc1Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5;CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5","InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)","","2016-09-15","2017-02-17","4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","2017-02-22"],["N2Y","(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine","C9 H11 Cl N4","Clc1ncc(cc1)CN2C(=[N@H])NCC2;Clc1ccc(CN2CCNC2=N)cn1;c1cc(ncc1CN2CCNC2=N)Cl","InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)","","2014-04-21","2015-01-30","(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine","2015-02-04"],["79D","4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","C30 H37 N9 O2","C1(CCCC1)N5C(CC)c6n(c4c5nc(Nc2ccc(cc2OC)C(NC3CCN(C)CC3)=O)nc4)cnc6C#N;CC[CH]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3n6cnc(C#N)c16;CCC1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N","InChI=1S/C30H37N9O2/c1-4-24-27-23(16-31)33-18-38(27)25-17-32-30(36-28(25)39(24)21-7-5-6-8-21)35-22-10-9-19(15-26(22)41-3)29(40)34-20-11-13-37(2)14-12-20/h9-10,15,17-18,20-21,24H,4-8,11-14H2,1-3H3,(H,34,40)(H,32,35,36)/t24-/m1/s1","","2016-09-15","2017-02-17","4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","2017-02-22"],["79E","JC96","C21 H35 N4 O6 P","CC(C)C[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(N)=O;CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H35N4O6P/c1-14(2)10-17(19(22)26)24-20(27)18(11-15(3)4)25-32(29,30)13-23-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H2,22,26)(H,23,28)(H,24,27)(H2,25,29,30)/t17-,18-/m0/s1","","2016-09-15","2016-12-16","~{N}-[(2~{S})-1-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","2016-12-21"],["N2Z","3-(2-chlorophenyl)-4~{H}-1,2,4-triazole","C8 H6 Cl N3","Clc1ccccc1c2[nH]cnn2;c1ccc(c(c1)c2[nH]cnn2)Cl","InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)","","2019-11-11","2020-04-24","3-(2-chlorophenyl)-4~{H}-1,2,4-triazole","2020-04-29"],["N30","(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE","C17 H34 N4 O10","O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CN;NC[CH]1O[CH](O[CH]2[CH](O)[CH](N)C[CH](N)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CN)O)O)O)N","InChI=1S/C17H34N4O10/c18-2-6-10(24)13(27)17(28-6)31-15-9(23)4(19)1-5(20)14(15)30-16-8(21)12(26)11(25)7(3-22)29-16/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1","","2007-01-12","2011-06-04","(1R,2R,3S,4R,6S)-4,6-diamino-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["79F","(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid","C18 H28 N3 O8 P","CC(C)C[CH](NC(=O)[CH](CO)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(CO)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H28N3O8P/c1-12(2)8-14(17(24)25)20-16(23)15(9-22)21-30(27,28)11-19-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15,22H,8-11H2,1-2H3,(H,19,26)(H,20,23)(H,24,25)(H2,21,27,28)/t14-,15-/m0/s1","","2016-09-16","2017-08-11","(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid","2017-08-16"],["79G","(4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide","C31 H39 N3 O6 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)c3ccc2OCCC(c2c3)N)Cc4ccccc4;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)c3ccc4OCC[CH](N)c4c3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2ccc3c(c2)C(CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C31H39N3O6S/c1-21(2)19-34(41(37,38)25-12-10-24(39-3)11-13-25)20-29(35)28(17-22-7-5-4-6-8-22)33-31(36)23-9-14-30-26(18-23)27(32)15-16-40-30/h4-14,18,21,27-29,35H,15-17,19-20,32H2,1-3H3,(H,33,36)/t27-,28-,29-/m0/s1","","2015-01-23","2016-04-29","(4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide","2016-05-04"],["N32","2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid","C24 H27 N O6","O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C;C[C]1(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[CH]3C[CH]4CC[C]3(CC4=C)C=CC1=O;CC1(C2CC3CCC2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O","InChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1","Platencin","2009-06-02","2021-03-01","2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid",""],["79H","5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C17 H21 N7 O","CC(C)[CH]1C(=O)n2ncc(C#N)c2N=C1c3cnn(CCN(C)C)c3;CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C","InChI=1S/C17H21N7O/c1-11(2)14-15(13-9-19-23(10-13)6-5-22(3)4)21-16-12(7-18)8-20-24(16)17(14)25/h8-11,14H,5-6H2,1-4H3/t14-/m1/s1","","2016-09-16","2016-10-21","5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2016-10-26"],["N33","(2S,3R,4R,5S,6R)-3-AMINO-4-({[(2S,3R,4R,5S,6R)-3-AMINO-2-{[(1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYL]OXY}-5-HYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-4-YL]OXY}METHOXY)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,5-DIOL","C19 H38 N4 O12","O(C1C(O)C(O)C(N)CC1N)C3OC(C(O)C(OCOC2C(N)C(O)OC(CO)C2O)C3N)CO;N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCO[CH]3[CH](N)[CH](O)O[CH](CO)[CH]3O)[CH]2N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)OCOC3C(C(OC(C3O)CO)O)N)N)O)O)N","InChI=1S/C19H38N4O12/c20-5-1-6(21)15(14(29)11(5)26)35-19-10(23)17(13(28)8(3-25)34-19)32-4-31-16-9(22)18(30)33-7(2-24)12(16)27/h5-19,24-30H,1-4,20-23H2/t5-,6+,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17-,18+,19-/m1/s1","","2007-01-12","2011-06-04","(2S,3R,4R,5S,6R)-3-amino-4-({[(2S,3R,4R,5S,6R)-3-amino-2-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diol (non-preferred name)",""],["79I","3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one","C7 H13 N3 O","N[CH](C[CH]1CCNC1=O)C=N;C1CNC(=O)C1CC(C=N)N","InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1","","2021-09-28","2025-07-17","(3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one","2021-11-03"],["N34","N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro\n-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide","C21 H29 N5 O6 S2","O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C;CC(C)(C)CCN1N2CCC[CH]2C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O;CC(C)(C)CCN1C(=O)C(=C(C2N1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C","InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1","N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,\n2,4-benzothiadiazin-7-yl}methanesulfonamide","2008-05-01","2020-06-17","N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["N35","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","C21 H28 N6 O6 S2","O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)CCC(C)C)N4CCCC4)C;CC(C)CCN1N=C(N2CCCC2)C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O;CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C","InChI=1S/C21H28N6O6S2/c1-13(2)8-11-27-21(29)17(18(28)20(23-27)26-9-4-5-10-26)19-22-15-7-6-14(24-34(3,30)31)12-16(15)35(32,33)25-19/h6-7,12-13,24,28H,4-5,8-11H2,1-3H3,(H,22,25)","N-{3-[5-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydro-pyridazin-4-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide","2008-08-15","2021-03-13","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["79J","4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C13 H21 N O10","C(O)(=O)C1(CC(OC(C)=O)C(C(O1)C(C(CO)O)O)NC(=O)C)O;CC(=O)N[CH]1[CH](C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O)OC(C)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC(=O)C","InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8-,9+,10+,11+,13+/m0/s1","4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;\n4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulosonic acid;\n4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-D-galacto-non-2-ulosonic acid;\n4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-galacto-non-2-ulosonic acid","2016-09-16","2020-07-17","4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","2017-03-22"],["N36","3-ethoxy-4-hydroxybenzaldehyde","C9 H10 O3","CCOc1cc(ccc1O)C=O;CCOc1cc(C=O)ccc1O;CCOc1cc(ccc1O)C=O","InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3","Ethyl vanillin","2022-03-23","2024-09-27","3-ethoxy-4-hydroxybenzaldehyde","2022-12-14"],["79K","Vercirnon","C22 H21 Cl N2 O4 S","CC(C)(C)c1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)cc2C(=O)c3cc[n+]([O-])cc3;CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl","InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3","","2016-09-16","2016-12-02","4-~{tert}-butyl-~{N}-[4-chloranyl-2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-phenyl]benzenesulfonamide","2016-12-07"],["N37","9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine","C24 H27 N7 O6","c12ncnc(c1ncn2C3OC(C(C3O)O)CC(C#Cc4cccc(c4)C(N)=O)CCC(N)C(O)=O)N;N[CH](CC[CH](C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C#Cc4cccc(c4)C(N)=O)C(O)=O;c1cc(cc(c1)C(=O)N)C#CC(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","","2019-05-01","2019-10-18","9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine","2019-10-23"],["79L","(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C31 H44 N4 O7","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)[CH](O)[CH](C)CO)cc1;CC(CO)C(C(Cc1ccccc1)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3)O","InChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22-,26+,27+,29+/m1/s1","","2016-09-16","2024-09-27","(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2016-11-09"],["79M","(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate","C19 H36 O4","O=C(OCC(O)CO)CCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO;CCCCCCCCC=CCCCCCC(=O)OCC(CO)O","InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1","[(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate","2013-06-05","2021-03-13","(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate","2014-06-18"],["N38","3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-\nalaninamide","C26 H41 N3 O7 S","COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3;COc1ccc(OCCC[S](=O)(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1;COc1ccc(cc1)OCCCS(=O)(=O)NC(CC2CCCCC2)C(=O)NC(CC3CCNC3=O)CO","InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1","3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan\ninamide (bound form)","2016-09-12","2024-09-27","3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide","2016-11-23"],["N39","O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate","C31 H36 N2 O8 S","CCOC(=O)C1=CC[C](N([CH]1C(=O)OC(C)(C)C)[S](=O)(=O)c2ccc(C)cc2)(C(=O)OC)c3cc4ccccc4n3C;CCOC(=O)C1=CCC(N(C1C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(cc2)C)(c3cc4ccccc4n3C)C(=O)OC","InChI=1S/C31H36N2O8S/c1-8-40-27(34)23-17-18-31(29(36)39-7,25-19-21-11-9-10-12-24(21)32(25)6)33(26(23)28(35)41-30(3,4)5)42(37,38)22-15-13-20(2)14-16-22/h9-17,19,26H,8,18H2,1-7H3/t26-,31+/m0/s1","3-formyl rifamycin SV","2022-08-11","2023-09-23","~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyridine-2,3,6-tricarboxylate","2022-08-24"],["79N","(2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate","C19 H36 O4","O=C(OCC(O)CO)CCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO;CCCCCCCCC=CCCCCCC(=O)OCC(CO)O","InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m0/s1","","2014-08-28","2015-09-25","(2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate","2015-09-30"],["N3A","2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap\nhthalen-8-yl]propanoyl}amino)benzoic acid","C24 H27 N O7","O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C;C[C]1(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[CH]3C[CH]4C[CH](O)[C]3(CC4=C)C=CC1=O;CC1(C2CC3CC(C2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O","InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1","Platencin A1","2009-06-03","2020-06-17","2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid",""],["1OZ","N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide","C25 H20 N4 O2","CN1C(=O)[CH](NC(=O)c2[nH]c3ccccc3c2)N=C(c4ccccc4)c5ccccc15;CN1c2ccccc2C(=NC(C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5","InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1","","2021-07-06","2021-10-08","~{N}-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-1~{H}-indole-2-carboxamide","2021-10-13"],["N3B","N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE","C27 H22 F N3 O5 S2","Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccccc4;[O-][N+](=O)c1cc(ccc1NCCSc2ccccc2)[S](=O)(=O)NC(=O)c3ccc(cc3)c4ccc(F)cc4;c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F","InChI=1S/C27H22FN3O5S2/c28-22-12-10-20(11-13-22)19-6-8-21(9-7-19)27(32)30-38(35,36)24-14-15-25(26(18-24)31(33)34)29-16-17-37-23-4-2-1-3-5-23/h1-15,18,29H,16-17H2,(H,30,32)","","2005-03-09","2011-06-04","4'-fluoro-N-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]biphenyl-4-carboxamide",""],["1P0","2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol","C15 H24 N10 O3","OCCn1nnc(c1)CN(Cc2nnn(c2)CCO)Cc3nnn(c3)CCO;OCCn1cc(CN(Cc2cn(CCO)nn2)Cc3cn(CCO)nn3)nn1;c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO","InChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2","","2013-04-18","2014-10-17","2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol","2014-10-22"],["1P1","(22R,51R)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6\n5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(\n65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone","C52 H60 N24 O10","O=C8Nc1nc(n(c1)C)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(N)C(=O)Nc4nc(n(c4)C)C(=O)Nc5nc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)NCCC(N)C(=O)Nc9nc8n(c9)C;Cn1cc2NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5nc(NC(=O)[CH](N)CCNC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)c9nc(NC(=O)[CH](N)CCNC(=O)c1c2)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C;Cn1cc2cc1C(=O)NCCC(C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCCC(C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N","InChI=1S/C52H60N24O10/c1-69-17-25-13-31(69)45(79)55-11-9-29(53)43(77)65-35-21-75(7)41(61-35)51(85)68-38-24-74(6)40(64-38)50(84)60-28-16-34(72(4)20-28)48(82)58-26-14-32(70(2)18-26)46(80)56-12-10-30(54)44(78)66-36-22-76(8)42(62-36)52(86)67-37-23-73(5)39(63-37)49(83)59-27-15-33(47(81)57-25)71(3)19-27/h13-24,29-30H,9-12,53-54H2,1-8H3,(H,55,79)(H,56,80)(H,57,81)(H,58,82)(H,59,83)(H,60,84)(H,65,77)(H,66,78)(H,67,86)(H,68,85)/t29-,30-/m1/s1","Cyclic Polyamide","2009-07-10","2020-06-17","(22R,51R)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone",""],["N3C","4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE","C42 H45 Cl N6 O5 S2","[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6;CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6;CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl","InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1","ABT-737","2007-05-01","2021-03-01","4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide",""],["N3D","N-methylpropane-1,3-diamine","C4 H12 N2","NCCCNC;CNCCCN;CNCCCN","InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3","","2008-12-15","2011-06-04","N-methylpropane-1,3-diamine",""],["1P2","(23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone","C54 H62 N22 O10","O=C8Nc1cc(n(c1)C)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCC(N)CC(=O)Nc4nc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)NCC(N)CC(=O)Nc9nc8n(c9)C;Cn1cc2NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5nc(NC(=O)C[CH](N)CNC(=O)c6cc(NC(=O)c7cc(NC(=O)c8cc(NC(=O)c9nc(NC(=O)C[CH](N)CNC(=O)c1c2)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C;Cn1cc2cc1C(=O)NCC(CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC(CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N","InChI=1S/C54H62N22O10/c1-69-19-29-11-35(69)47(79)57-17-27(55)9-43(77)65-41-25-75(7)45(67-41)53(85)64-34-16-40(74(6)24-34)52(84)62-32-14-38(72(4)22-32)50(82)60-30-12-36(70(2)20-30)48(80)58-18-28(56)10-44(78)66-42-26-76(8)46(68-42)54(86)63-33-15-39(73(5)23-33)51(83)61-31-13-37(49(81)59-29)71(3)21-31/h11-16,19-28H,9-10,17-18,55-56H2,1-8H3,(H,57,79)(H,58,80)(H,59,81)(H,60,82)(H,61,83)(H,62,84)(H,63,86)(H,64,85)(H,65,77)(H,66,78)/t27-,28-/m1/s1","","2010-08-31","2011-06-04","(23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone",""],["N3E","1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE","C15 H21 N3 O7","O=C(O)C3CCN(C2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)CC3;OC[CH]1O[CH]([CH](O)[CH]1N2CC[CH](CC2)C(O)=O)N3C=CC(=O)NC3=O;C1CN(CCC1C(=O)O)C2C(OC(C2O)N3C=CC(=O)NC3=O)CO","InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/m1/s1","3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE","2006-03-17","2021-03-01","1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-D-arabinofuranosyl]pyrimidine-2,4(1H,3H)-dione",""],["1P3","(3R)-1-ACETYL-3-METHYLPIPERIDINE","C8 H15 N O","O=C(N1CCCC(C)C1)C;C[CH]1CCCN(C1)C(C)=O;CC1CCCN(C1)C(=O)C","InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3/t7-/m1/s1","","2004-09-23","2011-06-04","(3R)-1-acetyl-3-methylpiperidine",""],["N3F","{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone","C19 H16 N2 O","O=C(c1ccccc1)c2ccc(cc2)Nc3ccccc3N;Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N","InChI=1S/C19H16N2O/c20-17-8-4-5-9-18(17)21-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H,20H2","","2011-03-10","2012-04-06","{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone",""],["1P4","3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol","C18 H30 N10 O3","OCCCn1nnc(c1)CN(Cc2nnn(c2)CCCO)Cc3nnn(c3)CCCO;OCCCn1cc(CN(Cc2cn(CCCO)nn2)Cc3cn(CCCO)nn3)nn1;c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO","InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2","","2013-04-18","2014-10-17","3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol","2014-10-22"],["1P5","(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide","C20 H26 N8 O","O=C(N(CC)CC)C4CCCN(c3ncnc(c1c2ncccn2nc1N)c3)C4;CCN(CC)C(=O)[CH]1CCCN(C1)c2cc(ncn2)c3c(N)nn4cccnc34;CCN(CC)C(=O)C1CCCN(C1)c2cc(ncn2)c3c(nn4c3nccc4)N","InChI=1S/C20H26N8O/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25)/t14-/m0/s1","","2009-08-17","2011-06-04","(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide",""],["N3G","N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C19 H29 N9 O4 S2","c2nc1c(N)ncnc1n2CCCCNS(NC(CCCCC4C3NC(=O)NC3CS4)=O)(=O)=O;Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)cnc12;c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCCC3C4C(CS3)NC(=O)N4)N","InChI=1S/C19H29N9O4S2/c20-17-16-18(22-10-21-17)28(11-23-16)8-4-3-7-24-34(31,32)27-14(29)6-2-1-5-13-15-12(9-33-13)25-19(30)26-15/h10-13,15,24H,1-9H2,(H,27,29)(H2,20,21,22)(H2,25,26,30)/t12-,13-,15-/m0/s1","","2019-05-01","2020-06-26","N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2020-07-01"],["N3H","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","C21 H23 N5 O6 S3","O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)CCC(C)C)c4sccc4)C;CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(N[S](C)(=O)=O)cc3[S](=O)(=O)N2)O)c4sccc4;CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C","InChI=1S/C21H23N5O6S3/c1-12(2)8-9-26-21(28)17(19(27)18(23-26)15-5-4-10-33-15)20-22-14-7-6-13(24-34(3,29)30)11-16(14)35(31,32)25-20/h4-7,10-12,24,27H,8-9H2,1-3H3,(H,22,25)","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxo-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","2008-02-28","2021-03-13","N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["1P6","3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine","C18 H16 F N7","Fc1ccc(cc1)C(Nc4ncnc(c2c3ncccn3nc2N)c4)C;C[CH](Nc1cc(ncn1)c2c(N)nn3cccnc23)c4ccc(F)cc4;CC(c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N","InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m0/s1","","2009-08-19","2011-06-04","3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine",""],["1P7","6-chloro-2,3-dihydro-1H-isoindol-1-one","C8 H6 Cl N O","Clc1cc2C(=O)NCc2cc1;Clc1ccc2CNC(=O)c2c1;c1cc2c(cc1Cl)C(=O)NC2","InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)","","2013-04-19","2013-05-24","6-chloro-2,3-dihydro-1H-isoindol-1-one","2013-05-29"],["N3I","2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide","C15 H15 Cl N2 O2","O=C(Nc1cnccc1C)Cc1cc(OC)cc(Cl)c1;COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC","InChI=1S/C15H15ClN2O2/c1-10-3-4-17-9-14(10)18-15(19)7-11-5-12(16)8-13(6-11)20-2/h3-6,8-9H,7H2,1-2H3,(H,18,19)","","2023-08-16","2023-11-03","2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["N3L","Penicimutamide E ","C21 H25 N3 O","CC1(C)C2CC34CCCN4CC2(NC3=O)Cc2c3ccccc3[NH]c21;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c1[nH]c6ccccc56)NC4=O;CC1(c2c(c3ccccc3[nH]2)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20-,21+/m1/s1","","2022-03-23","2023-02-17","(4R,5aS,12aR,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2023-02-22"],["1P8","6-bromo-1,3-dihydro-2H-indol-2-one","C8 H6 Br N O","Brc1ccc2c(c1)NC(=O)C2;Brc1ccc2CC(=O)Nc2c1;c1cc2c(cc1Br)NC(=O)C2","InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)","","2013-04-19","2013-05-24","6-bromo-1,3-dihydro-2H-indol-2-one","2013-05-29"],["1P9","(3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid","C22 H22 Br N3 O4","O=C(O)CC(N2c1ccccc1N(C2=O)Cc4cc(Br)cc3NC(=O)Cc34)CCC;CCC[CH](CC(O)=O)N1C(=O)N(Cc2cc(Br)cc3NC(=O)Cc23)c4ccccc14;CCCC(CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br","InChI=1S/C22H22BrN3O4/c1-2-5-15(10-21(28)29)26-19-7-4-3-6-18(19)25(22(26)30)12-13-8-14(23)9-17-16(13)11-20(27)24-17/h3-4,6-9,15H,2,5,10-12H2,1H3,(H,24,27)(H,28,29)/t15-/m0/s1","","2013-04-19","2013-05-24","(3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid","2013-05-29"],["N3M","N-(3-aminophenyl)acetamide","C8 H10 N2 O","O=C(Nc1cccc(c1)N)C;CC(=O)Nc1cccc(N)c1;CC(=O)Nc1cccc(c1)N","InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)","","2011-03-22","2012-03-16","N-(3-aminophenyl)acetamide",""],["N3O","~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide","C10 H11 N3 O2","CCC(=O)Nc1cnc2onc(C)c2c1;CCC(=O)Nc1cc2c(noc2nc1)C","InChI=1S/C10H11N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h4-5H,3H2,1-2H3,(H,12,14)","","2022-08-11","2024-09-27","~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide","2022-09-28"],["1PA","4-(carboxymethyl)-L-phenylalanine","C11 H13 N O4","O=C(O)C(N)Cc1ccc(cc1)CC(=O)O;N[CH](Cc1ccc(CC(O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)CC(=O)O","InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1","p-(carboxymethyl)phenylalanine","1999-07-08","2024-09-27","4-(carboxymethyl)-L-phenylalanine",""],["N3P","N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE","C17 H13 Cl N O5 P","Clc3ccc(NC(=O)c2cc1ccccc1cc2OP(=O)(O)O)cc3;O[P](O)(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3;c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O","InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)","","2007-02-22","2011-06-04","3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphate",""],["1PB","1,4-DIPHENYL-2-BUTENE","C16 H16","C(=C/c1ccccc1)CCc2ccccc2;C(Cc1ccccc1)C=Cc2ccccc2;c1ccc(cc1)CCC=Cc2ccccc2","InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+","[(1E)-4-PHENYLBUT-1-ENYL]BENZENE","2003-07-08","2020-06-17","1,1'-(1E)-but-1-ene-1,4-diyldibenzene",""],["N3Q","2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol","C12 H14 Cl2 N4 O2","OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2;c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO","InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17)","","2019-11-11","2020-04-24","2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol","2020-04-29"],["1PC","1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE","C17 H25 N","c1ccccc1C3(N2CCCCC2)CCCCC3;C1CCN(CC1)C2(CCCCC2)c3ccccc3;c1ccc(cc1)C2(CCCCC2)N3CCCCC3","InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","PHENCYCLIDINE","1999-07-08","2020-06-17","1-(1-phenylcyclohexyl)piperidine",""],["1PD","2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia\ndiazin-7-yl}oxy)acetamide","C21 H22 N6 O6 S2","O=C4N(N=C(c1scnc1)C(O)=C4C3=Nc2c(cc(OCC(=O)N)cc2)S(=O)(=O)N3)CCC(C)C;CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(OCC(N)=O)cc3[S](=O)(=O)N2)O)c4scnc4;CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N","InChI=1S/C21H22N6O6S2/c1-11(2)5-6-27-21(30)17(19(29)18(25-27)14-8-23-10-34-14)20-24-13-4-3-12(33-9-16(22)28)7-15(13)35(31,32)26-20/h3-4,7-8,10-11,29H,5-6,9H2,1-2H3,(H2,22,28)(H,24,26)","2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxo-2H-1,2,4-benzothiadi\nazin-7-yl}oxy)acetamide","2008-01-11","2020-06-17","2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide",""],["N3R","5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","C19 H17 F N2 O4","COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F","InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)","","2023-08-16","2023-11-03","5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["N3T","3'-DEAZO-THIAMIN DIPHOSPHATE","C13 H19 N3 O7 P2 S","Cc1cc(N)c(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O)c2C)cn1;Cc1cc(c(cn1)C[n+]2csc(c2C)CCOP(=O)(O)OP(=O)(O)[O-])N","InChI=1S/C13H19N3O7P2S/c1-9-5-12(14)11(6-15-9)7-16-8-26-13(10(16)2)3-4-22-25(20,21)23-24(17,18)19/h5-6,8H,3-4,7H2,1-2H3,(H4-,14,15,17,18,19,20,21)","","1999-07-08","2011-06-04","[2-[3-[(4-amino-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["1PE","PENTAETHYLENE GLYCOL","C10 H22 O6","O(CCO)CCOCCOCCOCCO;OCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCO)O","InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2","PEG400","1999-07-08","2021-03-01","3,6,9,12-tetraoxatetradecane-1,14-diol",""],["N3U","L-xylulose-5-phosphate","C5 H11 O8 P","O=P(O)(O)OCC(O)C(O)C(=O)CO;OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(=O)CO)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m0/s1","","2022-03-23","2022-07-15","5-O-phosphono-L-xylulose","2022-07-20"],["1PF","4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole","C26 H33 N3 O2","O(c4ccc(c2c3c(OCC1CCCCC1)cccc3nn2)cc4)C5CCN(C)CC5;CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34;CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3","InChI=1S/C26H33N3O2/c1-29-16-14-22(15-17-29)31-21-12-10-20(11-13-21)26-25-23(27-28-26)8-5-9-24(25)30-18-19-6-3-2-4-7-19/h5,8-13,19,22H,2-4,6-7,14-18H2,1H3,(H,27,28)","","2013-04-20","2014-03-21","4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole","2014-03-26"],["N3W","2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline","C8 H7 Cl N4","Nc1cccc(c1Cl)c2[nH]cnn2;c1cc(c(c(c1)N)Cl)c2[nH]cnn2","InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)","","2019-11-11","2020-04-24","2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline","2020-04-29"],["1PG","2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL","C11 H24 O6","O(CCO)CCOCCOCCOCCOC;COCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCO","InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3","","1999-07-08","2011-06-04","2,5,8,11,14-pentaoxahexadecan-16-ol",""],["1PH","2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide","C21 H18 N4 O3 S","O=S(=O)(N)c4cccc(c1c2cc(ccc2nn1)NC(=O)Cc3ccccc3)c4;N[S](=O)(=O)c1cccc(c1)c2[nH]nc3ccc(NC(=O)Cc4ccccc4)cc23;c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N","InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28)","","2013-04-20","2014-03-21","2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide","2014-03-26"],["N3X","~{N}-[(1-methylindazol-6-yl)methyl]propanamide","C12 H15 N3 O","CCC(=O)NCc1ccc2cnn(C)c2c1;CCC(=O)NCc1ccc2cnn(c2c1)C","InChI=1S/C12H15N3O/c1-3-12(16)13-7-9-4-5-10-8-14-15(2)11(10)6-9/h4-6,8H,3,7H2,1-2H3,(H,13,16)","","2022-08-11","2024-09-27","~{N}-[(1-methylindazol-6-yl)methyl]propanamide","2022-09-28"],["N3Z","~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide","C23 H25 N O5","COc1cc2CC[CH](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC;CC(=O)NC1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC","InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-10,18H,1,6-7,11H2,2-5H3,(H,24,25)/t18-/m0/s1","","2019-11-11","2020-08-28","~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide","2020-09-02"],["1PI","(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide","C9 H18 N4 O","O=CC(N)CC1CCCN(C(=[N@H])N)C1;N[CH](C[CH]1CCCN(C1)C(N)=N)C=O;C1CC(CN(C1)C(=N)N)CC(C=O)N","InChI=1S/C9H18N4O/c10-8(6-14)4-7-2-1-3-13(5-7)9(11)12/h6-8H,1-5,10H2,(H3,11,12)/t7-,8+/m1/s1","","1999-07-08","2011-06-04","(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide",""],["N40","3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide","C24 H45 N3 O5 S","C(CCCCCCC)S(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O;CCCCCCCC[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CCCCCCCCS(=O)(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO","InChI=1S/C24H45N3O5S/c1-2-3-4-5-6-10-15-33(31,32)27-22(16-19-11-8-7-9-12-19)24(30)26-21(18-28)17-20-13-14-25-23(20)29/h19-22,27-28H,2-18H2,1H3,(H,25,29)(H,26,30)/t20-,21-,22-/m0/s1","3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form)","2016-09-12","2024-09-27","3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide","2016-11-23"],["1PJ","1-(4-methoxyphenyl)cyclopropanecarboxylic acid","C11 H12 O3","O=C(O)C2(c1ccc(OC)cc1)CC2;COc1ccc(cc1)C2(CC2)C(O)=O;COc1ccc(cc1)C2(CC2)C(=O)O","InChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)","","2013-04-20","2013-04-26","1-(4-methoxyphenyl)cyclopropanecarboxylic acid","2013-05-01"],["N41","4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE","C19 H22 N6 O2","O=C(N)c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4;NC(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1;c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3","InChI=1S/C19H22N6O2/c20-16(26)13-6-8-14(9-7-13)23-19-24-17-15(21-11-22-17)18(25-19)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,26)(H2,21,22,23,24,25)","","2003-06-26","2011-06-04","4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzamide",""],["1PK","1H-perimidin-2-amine","C11 H9 N3","N=3c2cccc1cccc(c12)NC=3N;NC1=Nc2cccc3cccc(N1)c23;c1cc2cccc3c2c(c1)NC(=N3)N","InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","","2013-04-20","2013-04-26","1H-perimidin-2-amine","2013-05-01"],["1PL","(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid","C15 H22 O2","O=C(O)C1=CC3C2(C1CCC2C)CC(C)(C)C3;C[CH]1CC[CH]2C(=C[CH]3CC(C)(C)C[C]123)C(O)=O;CC1CCC2C13CC(CC3C=C2C(=O)O)(C)C","InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m0/s1","","2007-09-27","2011-06-04","(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid",""],["N42","N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide","C38 H41 N5 O5","C=[C@H]C(=O)Nc2c(C(=O)N1CCOCC1)ccc(c2)NC3=CC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5ccc(cc5)C(C)(C)C;CN1C=C(C=C(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)C1=O)c4cccc(NC(=O)c5ccc(cc5)C(C)(C)C)c4C;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C","InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)","","2016-04-20","2024-09-27","N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide","2017-04-19"],["N43","5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","C20 H20 N2 O5","COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c23;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)OC","InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)","","2023-08-16","2023-11-03","5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["1PM","methyl (3S)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate","C23 H25 N7 O5","COC(=O)N1CCN([CH](C1)CC(=O)NCc2ccc3OCOc3c2)c4ccnc(n4)n5ccnc5;COC(=O)N1CCN(C(C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5","InChI=1S/C23H25N7O5/c1-33-23(32)28-8-9-30(20-4-5-25-22(27-20)29-7-6-24-14-29)17(13-28)11-21(31)26-12-16-2-3-18-19(10-16)35-15-34-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,26,31)/t17-/m0/s1","","1999-11-15","2011-06-04","methyl (3S)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate",""],["N44","5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate","C27 H25 N2 O5","O=C(NCc1ccccc1)c2ccccc2CN(CC=C)Cc3ccc4OCOc4c3C([O-])=O;[O-]C(=O)c1c(CN(CC=C)Cc2ccccc2C(=O)NCc3ccccc3)ccc4OCOc14;C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4","InChI=1S/C27H26N2O5/c1-2-14-29(17-21-12-13-23-25(34-18-33-23)24(21)27(31)32)16-20-10-6-7-11-22(20)26(30)28-15-19-8-4-3-5-9-19/h2-13H,1,14-18H2,(H,28,30)(H,31,32)/p-1","","2011-07-01","2012-07-06","5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate",""],["1PN","prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate","C13 H17 N O5 S","O=C(OCC=C)C1=CSC(N1)C(C=O)C(OC(=O)C)C;C[CH](OC(C)=O)[CH](C=O)[CH]1NC(=CS1)C(=O)OCC=C;CC(C(C=O)C1NC(=CS1)C(=O)OCC=C)OC(=O)C","InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1","\"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form\"","1999-12-02","2024-09-27","prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate",""],["1PO","N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide","C30 H45 N O7","O=CN(C=CCC(OC)C(C(=O)C=CC(C)C(OC)C(C1OC(OCC1C)c2ccc(OC)cc2)C)C)C;CO[CH](CC=CN(C)C=O)[CH](C)C(=O)C=C[CH](C)[CH](OC)[CH](C)[CH]1O[CH](OC[CH]1C)c2ccc(OC)cc2;CC1COC(OC1C(C)C(C(C)C=CC(=O)C(C)C(CC=CN(C)C=O)OC)OC)c2ccc(cc2)OC","InChI=1S/C30H45NO7/c1-20(11-16-26(33)22(3)27(35-7)10-9-17-31(5)19-32)28(36-8)23(4)29-21(2)18-37-30(38-29)24-12-14-25(34-6)15-13-24/h9,11-17,19-23,27-30H,10,18H2,1-8H3/b16-11+,17-9+/t20-,21-,22-,23-,27+,28-,29-,30-/m0/s1","","2013-04-23","2014-09-26","N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide","2014-10-01"],["N45","6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione","C17 H20 N6 O2","O=C3C1=C(C)C=C(C(N1C2(CCCCC2)N3)=O)Nc4ncnc(c4)N;CC1=C2N(C(=O)C(=C1)Nc3cc(N)ncn3)C4(CCCCC4)NC2=O;CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3","InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)","","2018-03-02","2018-05-04","6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione","2018-05-09"],["N46","(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate","C5 H9 O7 P","O=P(O)(O)OCC(O)C(=O)C(C)=O;CC(=O)C(=O)[CH](O)CO[P](O)(O)=O;CC(=O)C(=O)C(COP(=O)(O)O)O","InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1","","2022-03-23","2022-07-15","(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate","2022-07-20"],["1PP","1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea","C20 H20 Cl2 N4 O","Clc1cccc(c1Cl)NC(=O)Nc3cc(nn3c2ccccc2)C(C)(C)C;CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)c3ccccc3;CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl","InChI=1S/C20H20Cl2N4O/c1-20(2,3)16-12-17(26(25-16)13-8-5-4-6-9-13)24-19(27)23-15-11-7-10-14(21)18(15)22/h4-12H,1-3H3,(H2,23,24,27)","","2005-10-19","2012-11-27","1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea",""],["N47","N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine","C20 H29 N5 O2","N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C;CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n1;Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC","InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)","","2019-05-02","2020-11-06","N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine","2020-11-11"],["1PQ","(4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine","C15 H21 N3 O","COc1cc(N[CH](C)CCCN)c2ncccc2c1;CC(CCCN)Nc1cc(cc2c1nccc2)OC","InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1","primaquine","2012-06-06","2021-03-01","(4S)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine","2013-03-13"],["N48","4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide","C19 H17 N3 O4 S","O=C1C=C(C)c2c(N1C)cc(c(c2)NS(=O)(=O)c3ccc(cc3)C#N)OC;COc1cc2N(C)C(=O)C=C(C)c2cc1N[S](=O)(=O)c3ccc(cc3)C#N;CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C","InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3","","2016-08-30","2017-02-03","4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide","2017-02-08"],["1PR","PHOSPHORIC ACID MONO-[5-({[5-CARBAMOYL-3-(5-PHOSPHONOOXY-5-DEOXY-RIBOFURANOSYL)- 3H-IMIDAZOL-4-YLAMINO]-METHYL}-AMINO)-2,3,4-TRIHYDROXY-PENTYL] ESTER","C15 H29 N5 O15 P2","NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NCNC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NCNCC(C(C(COP(=O)(O)O)O)O)O)C(=O)N","InChI=1S/C15H29N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h5-8,10-12,15,17-18,21-25H,1-4H2,(H2,16,26)(H2,27,28,29)(H2,30,31,32)/t6?,7-,8-,10+,11-,12-,15-/m1/s1","","2003-04-10","2011-06-04","[(2R,3S)-5-[[[5-aminocarbonyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylamino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",""],["N49","N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide","C24 H21 Cl N2 O4 S","CCS(=O)(=O)Nc1cc(C2=CN(C)C(=O)c3ccccc23)c(Oc2ccc(Cl)cc2)cc1;CC[S](=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)C3=CN(C)C(=O)c4ccccc34;CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)Oc4ccc(cc4)Cl","InChI=1S/C24H21ClN2O4S/c1-3-32(29,30)26-17-10-13-23(31-18-11-8-16(25)9-12-18)21(14-17)22-15-27(2)24(28)20-7-5-4-6-19(20)22/h4-15,26H,3H2,1-2H3","","2021-05-07","2022-07-29","N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide","2022-08-03"],["1PS","3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE","C8 H11 N O3 S","[O-]S(=O)(=O)CCC[n+]1ccccc1;[O-][S](=O)(=O)CCC[n+]1ccccc1;c1cc[n+](cc1)CCCS(=O)(=O)[O-]","InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2","1-(3-SULFOPROPYL) PYRIDINIUM; PPS","2003-11-14","2020-05-26","3-pyridinium-1-ylpropane-1-sulfonate",""],["1PT","CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)","C6 H14 N2 Pt","[Pt+2]1NC2C(N1)CCCC2;[Pt++]|1|N[CH]2CCCC[CH]2N|1;C1CCC2C(C1)[NH2][Pt+2][NH2]2","InChI=1S/C6H14N2.Pt/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,7-8H2;/q;+2/t5-,6-;/m1./s1","OXALIPLATIN","2003-06-03","2020-06-17","(cyclohexane-1,2-diamine-kappa~2~N,N')platinum(2+)",""],["N4A","4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide","C29 H24 N6 O4 S","O=S(=O)(c2cc1ccccc1cc2)Nc5ccc(Oc3ccc(C(=[N@H])N)cc3)nc5Oc4ccc(C(=[N@H])N)cc4;NC(=N)c1ccc(Oc2ccc(N[S](=O)(=O)c3ccc4ccccc4c3)c(Oc5ccc(cc5)C(N)=N)n2)cc1;c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(nc3Oc4ccc(cc4)C(=N)N)Oc5ccc(cc5)C(=N)N","InChI=1S/C29H24N6O4S/c30-27(31)19-5-10-22(11-6-19)38-26-16-15-25(29(34-26)39-23-12-7-20(8-13-23)28(32)33)35-40(36,37)24-14-9-18-3-1-2-4-21(18)17-24/h1-17,35H,(H3,30,31)(H3,32,33)","","2013-09-09","2014-03-14","4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide","2014-03-19"],["N4B","N-BUTYLBENZENE","C10 H14","c1ccccc1CCCC;CCCCc1ccccc1;CCCCc1ccccc1","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","","1999-07-08","2011-06-04","butylbenzene",""],["1PU","1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA","C17 H16 N4 O2","O=C3c1c(c(ccc1)NC(=O)Nc2ncccc2)C4N3CCC4;O=C(Nc1ccccn1)Nc2cccc3C(=O)N4CCC[CH]4c23;c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O","InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1","N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(PYRIDIN-2-YL)UREA","2001-02-09","2021-03-13","1-[(9bR)-5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl]-3-pyridin-2-ylurea",""],["N4C","N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide","C26 H29 N7 O3","O=C(c3cc(Oc1ccc(C(=[N@H])N)cc1)nc(Oc2ccc(C(=[N@H])N)cc2)c3)NC4CCC(N)CC4;N[CH]1CC[CH](CC1)NC(=O)c2cc(Oc3ccc(cc3)C(N)=N)nc(Oc4ccc(cc4)C(N)=N)c2;c1cc(ccc1C(=N)N)Oc2cc(cc(n2)Oc3ccc(cc3)C(=N)N)C(=O)NC4CCC(CC4)N","InChI=1S/C26H29N7O3/c27-18-5-7-19(8-6-18)32-26(34)17-13-22(35-20-9-1-15(2-10-20)24(28)29)33-23(14-17)36-21-11-3-16(4-12-21)25(30)31/h1-4,9-14,18-19H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t18-,19-","","2013-09-06","2014-02-21","N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide","2014-02-26"],["1PV","[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid","C27 H25 B F2 N2 O6 S","Fc1c(B(O)O)ccc(c1)CN(c4c(cc2c(oc(c2C(=O)NC)c3ccc(F)cc3)c4)C5CC5)S(=O)(=O)C;CNC(=O)c1c(oc2cc(N(Cc3ccc(B(O)O)c(F)c3)[S](C)(=O)=O)c(cc12)C4CC4)c5ccc(F)cc5;B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O","InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33)","GSK5852","2013-04-23","2021-03-01","[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid","2013-05-08"],["1PW","(2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","C20 H40 N O6 P","O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)C;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(C)=O;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)C)O","InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1","","2013-04-23","2013-07-12","(2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","2013-07-17"],["N4D","N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C20 H18 N6 O","O=C(NC)c1cc(c(cc1)C)Nc2ncnc3c2cnn3c4ccccc4;CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)c4ccccc4)c1;Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC","InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25)","","2008-03-16","2011-06-04","N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide",""],["1PX","(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","C34 H68 N O6 P","O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO[P](O)(O)=O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1","","2013-04-23","2013-07-12","(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","2013-07-17"],["N4E","N-(4-ethoxyphenyl)acetamide","C10 H13 N O2","O=C(Nc1ccc(OCC)cc1)C;CCOc1ccc(NC(C)=O)cc1;CCOc1ccc(cc1)NC(=O)C","InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)","phenacetin","2008-09-04","2021-03-01","N-(4-ethoxyphenyl)acetamide",""],["N4F","1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one","C9 H12 N2 O S","CCC(=O)N1CCc2ncsc2C1;CCC(=O)N1CCc2c(scn2)C1","InChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3","","2022-08-11","2024-09-27","1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one","2022-09-28"],["1PY","2-OXO-3-PHENYLPROPIONIC ACID","C9 H8 O3","O=C(C(=O)O)Cc1ccccc1;OC(=O)C(=O)Cc1ccccc1;c1ccc(cc1)CC(=O)C(=O)O","InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/f/h11H","","1999-07-08","2008-10-14","2-oxo-3-phenylpropanoic acid",""],["1PZ","(2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","C30 H60 N O6 P","O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(=O)CCCCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O","InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1","","2013-04-23","2013-07-12","(2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","2013-07-17"],["N4I","4-({(3S,4S)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide","C26 H27 F3 N4 O4 S","O=S(=O)(N(C2C(NCc1cccc(O)c1)CNC2)Cc3ccc(cc3)C(F)(F)F)c4ccc(C(=O)N)cc4;NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2)C(F)(F)F)[CH]3CNC[CH]3NCc4cccc(O)c4;c1cc(cc(c1)O)CNC2CNCC2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N","InChI=1S/C26H27F3N4O4S/c27-26(28,29)20-8-4-17(5-9-20)16-33(38(36,37)22-10-6-19(7-11-22)25(30)35)24-15-31-14-23(24)32-13-18-2-1-3-21(34)12-18/h1-12,23-24,31-32,34H,13-16H2,(H2,30,35)/t23-,24-/m0/s1","","2011-02-21","2012-02-10","4-({(3S,4S)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide",""],["N4K","5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole","C27 H32 N4 O2 S","Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6;Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6","InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3","","2019-11-11","2020-05-29","5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole","2020-06-03"],["1Q0","(2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate","C36 H70 N O6 P","O=C(NC(COP(=O)(O)O)C(O)C=C/CCCCCCCCCCCCC)CCCCCCC/C=C/CCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O","InChI=1S/C36H70NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38H,3-16,19-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b18-17?,31-29-/t34-,35+/m0/s1","","2013-04-23","2013-07-12","(2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate","2013-07-17"],["1Q1","1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one","C12 H12 F N O3","Fc1c(O)ccc(c1)C2=NOC(C2)CC(=O)C;CC(=O)C[CH]1CC(=NO1)c2ccc(O)c(F)c2;CC(=O)CC1CC(=NO1)c2ccc(c(c2)F)O","InChI=1S/C12H12FNO3/c1-7(15)4-9-6-11(14-17-9)8-2-3-12(16)10(13)5-8/h2-3,5,9,16H,4,6H2,1H3/t9-/m1/s1","","2013-04-23","2014-09-19","1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one","2014-09-24"],["N4L","N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide","C20 H20 N2 O4","COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(C)c21;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(C)c23;Cc1cccc2c1C(=CC(=O)N2)C(=O)NCCOc3ccccc3OC","InChI=1S/C20H20N2O4/c1-13-6-5-7-15-19(13)14(12-18(23)22-15)20(24)21-10-11-26-17-9-4-3-8-16(17)25-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)","","2023-08-16","2023-11-03","N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["1Q2","(4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one","C12 H14 F N O3","Fc1cc(C(=[N@H])CC(O)CC(=O)C)ccc1O;CC(=O)C[CH](O)CC(=N)c1ccc(O)c(F)c1;CC(=O)CC(CC(=N)c1ccc(c(c1)F)O)O","InChI=1S/C12H14FNO3/c1-7(15)4-9(16)6-11(14)8-2-3-12(17)10(13)5-8/h2-3,5,9,14,16-17H,4,6H2,1H3/b14-11-/t9-/m0/s1","","2013-04-23","2014-09-19","(4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one","2014-09-24"],["N4M","1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol","C30 H45 N6 O16 P","O=C2N=C(N)NC=1NC(C)C(NC=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C;C[CH](Nc1ccc(C[CH](O)[CH](O)[CH](O)CO[CH]2O[CH](CO[P](O)(=O)O[CH](CCC(O)=O)C(O)=O)[CH](O)[CH]2O)cc1)[CH]3NC4=C(N[CH]3C)NC(=NC4=O)N;CC1C(NC2=C(N1)NC(=NC2=O)N)C(C)Nc3ccc(cc3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O","InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18-,19-,21+,23-,24-,25-,29+/m1/s1","Tetrahydromethanopterin","2012-09-20","2021-03-01","1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol","2012-10-26"],["1Q3","(1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile","C16 H15 N7 O","N#CC4CCCC4Nc1nc(nc2c1CC=NC2=O)c3cnnc3;O=C1N=CCc2c(N[CH]3CCC[CH]3C#N)nc(nc12)c4c[nH]nc4;c1c(cn[nH]1)c2nc3c(c(n2)NC4CCCC4C#N)CC=NC3=O","InChI=1S/C16H15N7O/c17-6-9-2-1-3-12(9)21-15-11-4-5-18-16(24)13(11)22-14(23-15)10-7-19-20-8-10/h5,7-9,12H,1-4H2,(H,19,20)(H,21,22,23)/t9-,12-/m0/s1","","2013-04-24","2013-09-27","(1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile","2013-10-02"],["N4N","3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid","C15 H11 N3 O2 S","OC(=O)c1cccc(Nc2scc(n2)c3ccccn3)c1;c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O","InChI=1S/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20)","","2019-11-11","2020-07-03","3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid","2020-07-08"],["N4O","(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate","C4 H9 O6 P","O=P(O)(O)OCC(O)C(C)=O;CC(=O)[CH](O)CO[P](O)(O)=O;CC(=O)C(COP(=O)(O)O)O","InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1","","2022-03-23","2022-07-15","(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate","2022-07-20"],["1Q4","4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one","C13 H16 N4 O","O=C1c2ncnc(c2C=CN1)NC3CCCCC3;O=C1NC=Cc2c(NC3CCCCC3)ncnc12;c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O","InChI=1S/C13H16N4O/c18-13-11-10(6-7-14-13)12(16-8-15-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,18)(H,15,16,17)","","2013-04-24","2013-09-27","4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one","2013-10-02"],["1Q5","3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine","C21 H30 N2 O","O(c1c(cc(cc1C)C)C)c2nc(cc(c2C)NC(CC)CC)C;CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C;CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C","InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)","","2013-04-24","2013-07-12","3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine","2013-07-17"],["N4P","N,N-bis(3-aminopropyl)butane-1,4-diamine","C10 H26 N4","NCCCCN(CCCN)CCCN;C(CCN(CCCN)CCCN)CN","InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2","N4-aminopropylspermidine","2016-02-26","2020-06-17","~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine","2018-08-15"],["N4Q","6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine","C22 H20 N2 O3","COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(OC)cc(OC)c4;COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC","InChI=1S/C22H20N2O3/c1-25-18-7-4-15(5-8-18)21-14-24-13-16(6-9-22(24)23-21)17-10-19(26-2)12-20(11-17)27-3/h4-14H,1-3H3","","2019-11-11","2020-11-13","6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine","2020-11-18"],["1Q6","6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)","C17 H25 N5 O2","n1c(N)cc(cc1COCC(OCc2nc(N)cc(c2)C)CN)C;Cc1cc(N)nc(COC[CH](CN)OCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)COCC(CN)OCc2cc(cc(n2)N)C","InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1","","2013-04-25","2013-09-13","6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)","2013-09-18"],["N4R","NEXTURASTAT A","C19 H23 N3 O3","CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2;CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2","InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)","","2016-03-18","2016-07-22","4-[[butyl(phenylcarbamoyl)amino]methyl]-N-oxidanyl-benzamide","2016-07-27"],["1Q7","6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)","C17 H25 N5 O2","n1c(N)cc(cc1COCC(OCc2nc(N)cc(c2)C)CN)C;Cc1cc(N)nc(COC[CH](CN)OCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)COCC(CN)OCc2cc(cc(n2)N)C","InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1","","2013-04-25","2013-09-13","6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)","2013-09-18"],["N4S","N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)","C19 H37 N6 O7 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCCNCCCCNCCCN)C=C1)CC2O;NCCCNCCCCNCCCNC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O","InChI=1S/C19H37N6O7P/c20-6-3-9-21-7-1-2-8-22-10-4-11-23-17-5-12-25(19(27)24-17)18-13-15(26)16(32-18)14-31-33(28,29)30/h5,12,15-16,18,21-22,26H,1-4,6-11,13-14,20H2,(H,23,24,27)(H2,28,29,30)/t15-,16+,18+/m0/s1","","2013-09-09","2014-01-17","N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)","2014-01-22"],["1Q8","N-(hydroxymethyl)benzamide","C8 H9 N O2","O=C(NCO)c1ccccc1;OCNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCO","InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)","","2013-04-25","2013-05-17","N-(hydroxymethyl)benzamide","2013-05-22"],["1Q9","N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine","C12 H17 N5 O","n1nnnc1NCc2c(OCC)c(cc(c2)C)C;CCOc1c(C)cc(C)cc1CNc2[nH]nnn2;CCOc1c(cc(cc1CNc2[nH]nnn2)C)C","InChI=1S/C12H17N5O/c1-4-18-11-9(3)5-8(2)6-10(11)7-13-12-14-16-17-15-12/h5-6H,4,7H2,1-3H3,(H2,13,14,15,16,17)","","2013-04-25","2013-05-31","N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine","2013-06-05"],["N4T","(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE","C21 H20 F2 N2 O","O=C(N2CC(=CC2c1ccccc1)c3cc(F)ccc3F)C(N)C4CC4;N[CH](C1CC1)C(=O)N2CC(=C[CH]2c3ccccc3)c4cc(F)ccc4F;c1ccc(cc1)C2C=C(CN2C(=O)C(C3CC3)N)c4cc(ccc4F)F","InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1","","2006-01-17","2011-06-04","(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2-oxoethanamine",""],["N4U","~{N}-(2-methylpyrimidin-5-yl)propanamide","C8 H11 N3 O","CCC(=O)Nc1cnc(C)nc1;CCC(=O)Nc1cnc(nc1)C","InChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12)","","2022-08-12","2024-09-27","~{N}-(2-methylpyrimidin-5-yl)propanamide","2022-09-28"],["1QA","(2S)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid","C19 H14 N4 O4 S","O=C(O)C(c1ccccc1)NC(=O)Cc2nc(sc2)c3ncc(C#N)cc3O;OC(=O)[CH](NC(=O)Cc1csc(n1)c2ncc(cc2O)C#N)c3ccccc3;c1ccc(cc1)C(C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O","InChI=1S/C19H14N4O4S/c20-8-11-6-14(24)17(21-9-11)18-22-13(10-28-18)7-15(25)23-16(19(26)27)12-4-2-1-3-5-12/h1-6,9-10,16,24H,7H2,(H,23,25)(H,26,27)/t16-/m0/s1","","2013-04-25","2013-05-10","(2S)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid","2013-05-15"],["N4W","~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine","C23 H20 Cl N5 O2 S","C[S](=O)(=O)c1ccc(N[CH](c2cccc(Cl)c2)c3ccccn3)c(Nc4ncccn4)c1;CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)NC(c3cccc(c3)Cl)c4ccccn4","InChI=1S/C23H20ClN5O2S/c1-32(30,31)18-9-10-19(21(15-18)29-23-26-12-5-13-27-23)28-22(20-8-2-3-11-25-20)16-6-4-7-17(24)14-16/h2-15,22,28H,1H3,(H,26,27,29)/t22-/m0/s1","","2019-11-12","2019-12-06","~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine","2019-12-11"],["1QB","N-(4,7-dihydro-1H-inden-6-yl)acetamide","C11 H13 N O","O=C(NC2=CCC=1C=CCC=1C2)C;CC(=O)NC1=CCC2=C(CC=C2)C1;CC(=O)NC1=CCC2=C(C1)CC=C2","InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h2-3,6H,4-5,7H2,1H3,(H,12,13)","","2013-04-25","2013-05-17","N-(4,7-dihydro-1H-inden-6-yl)acetamide","2013-05-22"],["N4X","3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide","C18 H21 N3 O","CC1(C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3;CC1(CN(c2ccccc2N1Cc3ccccc3)C(=O)N)C","InChI=1S/C18H21N3O/c1-18(2)13-20(17(19)22)15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,19,22)","","2023-01-11","2023-01-13","3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide","2023-01-18"],["1QC","N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide","C21 H28 N6 O4 S3","O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCCN[S](C)(=O)=O)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N","InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)","","2013-04-26","2014-03-07","N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide","2014-03-12"],["1QD","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C24 H28 I N6 O13 P2","Ic1cccc2c[n+](ccc21)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5ccc6c(I)cccc6c5)[CH](O)[CH]3O;c1cc2c[n+](ccc2c(c1)I)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C24H27IN6O13P2/c25-13-3-1-2-11-6-30(5-4-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-24,32-35H,7-8H2,(H3-,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1","","2021-06-23","2022-03-18","2-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-iodoisoquinolin-2-ium (non-preferred name)","2022-03-23"],["N4Z","~{N}1-[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{N}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine","C28 H27 Cl F2 N8 O5 S","COc1nc(Nc2cc(ccc2N[CH](c3cccc4OC(F)(F)Oc34)c5ncccc5Cl)[S](C)(=O)=O)nc(n1)N6CCNCC6;COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3NC(c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C","InChI=1S/C28H27ClF2N8O5S/c1-42-27-37-25(36-26(38-27)39-13-11-32-12-14-39)35-20-15-16(45(2,40)41)8-9-19(20)34-22(23-18(29)6-4-10-33-23)17-5-3-7-21-24(17)44-28(30,31)43-21/h3-10,15,22,32,34H,11-14H2,1-2H3,(H,35,36,37,38)/t22-/m0/s1","","2019-11-12","2019-12-06","~{N}1-[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{N}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine","2019-12-11"],["N50","2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol","C11 H16 N2 O4","O(c1nc(C=C(/CO)CO)c(c(OC)n1)C)C;COc1nc(OC)c(C)c(C=C(CO)CO)n1;Cc1c(nc(nc1OC)OC)C=C(CO)CO","InChI=1S/C11H16N2O4/c1-7-9(4-8(5-14)6-15)12-11(17-3)13-10(7)16-2/h4,14-15H,5-6H2,1-3H3","","2013-01-24","2013-02-01","2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol","2013-02-01"],["1QE","N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide","C24 H22 N4 S2","s1cccc1C(=[N@H])Nc2cccc(c2)CCc3cc(ccc3)NC(=[N@H])c4sccc4;N=C(Nc1cccc(CCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4;c1cc(cc(c1)NC(=N)c2cccs2)CCc3cccc(c3)NC(=N)c4cccs4","InChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)","","2013-04-26","2014-02-07","N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide","2014-02-12"],["N51","4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide","C31 H29 N7 O2","N(C([C@H]=CCN(C)C)=O)c1ccc(cc1)C(=O)Nc5cc(Nc2cc(ncn2)c4cnc3c4cccc3)ccc5;CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3cc(ncn3)c4c[nH]c5ccccc45)c2;CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5","InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+","","2019-05-02","2020-04-24","4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide","2020-04-29"],["1QF","N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide","C27 H29 N5 S2","s1cccc1C(=[N@H])Nc2ccc(cc2)CCN(CC)Cc3cc(ccc3)NC(=[N@H])c4sccc4;CCN(CCc1ccc(NC(=N)c2sccc2)cc1)Cc3cccc(NC(=N)c4sccc4)c3;CCN(CCc1ccc(cc1)NC(=N)c2cccs2)Cc3cccc(c3)NC(=N)c4cccs4","InChI=1S/C27H29N5S2/c1-2-32(19-21-6-3-7-23(18-21)31-27(29)25-9-5-17-34-25)15-14-20-10-12-22(13-11-20)30-26(28)24-8-4-16-33-24/h3-13,16-18H,2,14-15,19H2,1H3,(H2,28,30)(H2,29,31)","","2013-04-26","2014-02-07","N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide","2014-02-12"],["N52","(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate","C5 H11 O8 P","O=P(O)(O)OCC(O)(C(O)O)C(C)=O;CC(=O)[C](O)(CO[P](O)(O)=O)C(O)O;CC(=O)C(COP(=O)(O)O)(C(O)O)O","InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1","","2022-03-23","2022-07-15","(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate","2022-07-20"],["1QG","(3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine","C19 H19 F N4 O","Fc1ccc(cc1)c2nn(cc2c3cc(ncc3)C4NCCOC4)C;Cn1cc(c2ccnc(c2)[CH]3COCCN3)c(n1)c4ccc(F)cc4;Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)C4COCCN4","InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3/t18-/m1/s1","","2013-04-26","2013-09-13","(3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine","2013-09-18"],["1QI","(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid","C15 H23 N O3","CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O;CC(C)C(C(CC(Cc1ccccc1)C(=O)O)O)N","InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1","","2021-06-14","2024-09-27","(2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid","2021-08-11"],["N53","N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide","C33 H36 N6 O3","O=C(c2cccc(Oc1ccccc1)c2)Nc3c6c(nn3)C(N(C(=O)N5C(Cc4ccccc4)CN(C)CC5)C6)(C)C;CN1CCN([CH](C1)Cc2ccccc2)C(=O)N3Cc4c([nH]nc4C3(C)C)NC(=O)c5cccc(Oc6ccccc6)c5;CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(CC5Cc6ccccc6)C)C","InChI=1S/C33H36N6O3/c1-33(2)29-28(22-39(33)32(41)38-18-17-37(3)21-25(38)19-23-11-6-4-7-12-23)30(36-35-29)34-31(40)24-13-10-16-27(20-24)42-26-14-8-5-9-15-26/h4-16,20,25H,17-19,21-22H2,1-3H3,(H2,34,35,36,40)/t25-/m0/s1","","2012-04-04","2014-09-05","N-(5-{[(2S)-2-benzyl-4-methylpiperazin-1-yl]carbonyl}-6,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-phenoxybenzamide",""],["N55","2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol","C18 H15 Cl N2 O","Oc1ccc(cc1Cl)c2ccc(cc2)[CH](C=C)n3ccnc3;C=CC(c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3","InChI=1S/C18H15ClN2O/c1-2-17(21-10-9-20-12-21)14-5-3-13(4-6-14)15-7-8-18(22)16(19)11-15/h2-12,17,22H,1H2/t17-/m1/s1","","2019-11-12","2021-05-21","2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol","2021-05-26"],["1QJ","{4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol","C15 H12 F N3 O","Fc3ccc(c1nncc1c2ccnc(c2)CO)cc3;OCc1cc(ccn1)c2c[nH]nc2c3ccc(F)cc3;c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F","InChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15-14(8-18-19-15)11-5-6-17-13(7-11)9-20/h1-8,20H,9H2,(H,18,19)","","2013-04-26","2013-09-13","{4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol","2013-09-18"],["N56","(3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine","C18 H18 Cl3 N5","Clc1cc(Cl)cc(c1)CNC2CCCN(C2)c3nc4c(n3)nc(cc4)Cl;Clc1cc(Cl)cc(CN[CH]2CCCN(C2)c3[nH]c4ccc(Cl)nc4n3)c1;c1cc(nc2c1[nH]c(n2)N3CCCC(C3)NCc4cc(cc(c4)Cl)Cl)Cl","InChI=1S/C18H18Cl3N5/c19-12-6-11(7-13(20)8-12)9-22-14-2-1-5-26(10-14)18-23-15-3-4-16(21)24-17(15)25-18/h3-4,6-8,14,22H,1-2,5,9-10H2,(H,23,24,25)/t14-/m0/s1","","2016-04-04","2017-01-20","(3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine","2017-01-25"],["1QK","3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium","C21 H29 N6 O2","n2c(cc(NCc1ccc[n+](O)c1)n3ncc(c23)CC)N4C(CCO)CCCC4;CCc1cnn2c(NCc3ccc[n+](O)c3)cc(nc12)N4CCCC[CH]4CCO;CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCCC4CCO","InChI=1S/C21H29N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1","DINACICLIB","2013-04-26","2021-03-01","3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium",""],["1QL","(2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H19 N3 O7 S2","O=CC(OC)(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)N;CO[C](NC(=O)Cc1sccc1)(C=O)[CH]2NC(=C(COC(N)=O)CS2)C(O)=O;COC(C=O)(C1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2","InChI=1S/C16H19N3O7S2/c1-25-16(8-20,19-11(21)5-10-3-2-4-27-10)14-18-12(13(22)23)9(7-28-14)6-26-15(17)24/h2-4,8,14,18H,5-7H2,1H3,(H2,17,24)(H,19,21)(H,22,23)/t14-,16+/m1/s1","Cefoxitin, bound form","2013-04-26","2024-09-27","(2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2018-09-12"],["N57","(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside","C24 H49 N O8","CCCCCCCCCCCCCCC(C(O)C(COC1OC(CO)C(O)C(C1O)O)N)O;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](N)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)N)O)O","InChI=1S/C24H49NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(27)20(28)17(25)16-32-24-23(31)22(30)21(29)19(15-26)33-24/h17-24,26-31H,2-16,25H2,1H3/t17-,18+,19+,20-,21-,22-,23+,24-/m0/s1","","2019-05-03","2019-05-10","(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside","2019-05-15"],["1QM","9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine","C18 H17 F N4 O","Fc1ccc(cc1)c2nn(cc2c4ccnc3c4OCCNC3)C;Cn1cc(c2ccnc3CNCCOc23)c(n1)c4ccc(F)cc4;Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4","InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3","","2013-04-27","2013-09-13","9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine","2013-09-18"],["N58","1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea","C20 H23 N5 O S","O=C(Nc1cc(nn1C)C(C)(C)C)Nc3ccc(Sc2ccncc2)cc3;Cn1nc(cc1NC(=O)Nc2ccc(Sc3ccncc3)cc2)C(C)(C)C;CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3","InChI=1S/C20H23N5OS/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)","","2013-09-13","2016-07-01","1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea","2016-07-06"],["N59","4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid","C23 H21 Cl F N3 O4 S","OC(=O)c1ccc(N2CCN(CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F)c4)c1;c1cc(cc(c1)Cl)N2CCN(CC2)c3ccc(cc3NS(=O)(=O)c4cccc(c4)F)C(=O)O","InChI=1S/C23H21ClFN3O4S/c24-17-3-1-5-19(14-17)27-9-11-28(12-10-27)22-8-7-16(23(29)30)13-21(22)26-33(31,32)20-6-2-4-18(25)15-20/h1-8,13-15,26H,9-12H2,(H,29,30)","","2023-01-11","2023-12-22","4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid","2023-12-27"],["1QN","1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine","C17 H17 F N4","Fc3ccc(c1nn(cc1c2ccnc(c2)CNC)C)cc3;CNCc1cc(ccn1)c2cn(C)nc2c3ccc(F)cc3;CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C","InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3","","2013-04-27","2013-09-13","1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine","2013-09-18"],["1QO","N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine","C16 H14 N4","n1c(ccnc1NCc2ccccc2)c3cccnc3;C(Nc1nccc(n1)c2cccnc2)c3ccccc3;c1ccc(cc1)CNc2nccc(n2)c3cccnc3","InChI=1S/C16H14N4/c1-2-5-13(6-3-1)11-19-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-10,12H,11H2,(H,18,19,20)","","2013-04-27","2013-09-13","N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine","2013-09-18"],["N5A","5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE","C12 H17 N7 O4","O=C(NCCN)C3OC(n2cnc1c(ncnc12)N)C(O)C3O;NCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCN)O)O)N","InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1","(2S,3S,4R,5R)-N-(2-AMINOETHYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE","2006-06-26","2020-06-17","(2S,3S,4R,5R)-N-(2-aminoethyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)",""],["1QP","ethyl pyrazolo[1,5-a]pyridine-3-carboxylate","C10 H10 N2 O2","O=C(OCC)c1c2ccccn2nc1;CCOC(=O)c1cnn2ccccc12;CCOC(=O)c1cnn2c1cccc2","InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3","","2013-04-29","2013-05-17","ethyl pyrazolo[1,5-a]pyridine-3-carboxylate","2013-05-15"],["N5B","N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE","C13 H13 N3 O","O=C(Nc1cc(nn1)C2CC2)c3ccccc3;O=C(Nc1[nH]nc(c1)C2CC2)c3ccccc3;c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3","InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)","","2004-05-07","2011-06-04","N-(3-cyclopropyl-1H-pyrazol-5-yl)benzamide",""],["1QQ","(3S)-3-methyl-2-oxopentanoic acid","C6 H10 O3","O=C(C(=O)O)C(C)CC;CC[CH](C)C(=O)C(O)=O;CCC(C)C(=O)C(=O)O","InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1","","2011-03-25","2024-09-27","(3S)-3-methyl-2-oxopentanoic acid",""],["N5C","5-nitrocytidine 5'-(tetrahydrogen triphosphate)","C9 H15 N4 O16 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C([N+]([O-])=O)=C1)C(O)C2O;NC1=NC(=O)N(C=C1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]","InChI=1S/C9H15N4O16P3/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(27-8)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,4-6,8,14-15H,2H2,(H,22,23)(H,24,25)(H2,10,11,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1","","2007-12-28","2011-06-04","5-nitrocytidine 5'-(tetrahydrogen triphosphate)",""],["N5D","N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide","C13 H16 N6 O3","N(c1cn(nc1)CC(NC2CC2)=O)C(Nc3cc(C)on3)=O;Cc1onc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1;Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3","InChI=1S/C13H16N6O3/c1-8-4-11(18-22-8)17-13(21)16-10-5-14-19(6-10)7-12(20)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,21)","","2019-05-03","2019-12-13","N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide","2019-12-18"],["1QR","N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide","C20 H22 N4 O3 S","O=S(=O)(c1ccc(cc1)CNC(=O)c3cc2cnccc2n3)N4CCCCC4;O=C(NCc1ccc(cc1)[S](=O)(=O)N2CCCCC2)c3[nH]c4ccncc4c3;c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4","InChI=1S/C20H22N4O3S/c25-20(19-12-16-14-21-9-8-18(16)23-19)22-13-15-4-6-17(7-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14,23H,1-3,10-11,13H2,(H,22,25)","","2013-04-29","2013-05-03","N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide","2013-05-08"],["N5F","(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid","C14 H21 N2 O9 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCC(=O)O)C(=O)O)O","InChI=1S/C14H21N2O9P/c1-8-13(19)10(9(5-15-8)7-25-26(22,23)24)6-16-11(14(20)21)3-2-4-12(17)18/h5,11,16,19H,2-4,6-7H2,1H3,(H,17,18)(H,20,21)(H2,22,23,24)/t11-/m0/s1","","2008-03-03","2011-06-04","(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid",""],["1QS","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide","C21 H15 F2 N3 O3 S","Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccc4nccn4c3;Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2;c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F","InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)","","2013-04-29","2013-05-03","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide","2013-05-08"],["N5G","N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid","C20 H38 N7 O10 P","O=C(O)C(NC(=O)C3CCC(NCC1N(C2C(NC1)NC(NC2O)N)COP(=O)(O)O)CC3)CCC(=O)O;N[CH]1N[CH](O)[CH]2[CH](NC[CH](CN[CH]3CC[CH](CC3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2CO[P](O)(O)=O)N1;C1CC(CCC1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3C(N2COP(=O)(O)O)C(NC(N3)N)O","InChI=1S/C20H38N7O10P/c21-20-25-16-15(18(31)26-20)27(9-37-38(34,35)36)12(8-23-16)7-22-11-3-1-10(2-4-11)17(30)24-13(19(32)33)5-6-14(28)29/h10-13,15-16,18,20,22-23,25-26,31H,1-9,21H2,(H,24,30)(H,28,29)(H,32,33)(H2,34,35,36)/t10-,11-,12-,13-,15-,16-,18+,20+/m0/s1","","2009-07-03","2011-06-04","N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid",""],["1QT","(3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one","C32 H44 N2 O3","O=C2NC(Cc1cccc(c1)CCCCCCC2)C(O)CNC3c5c(OC4(C3)CCC4)ccc(c5)CC;CCc1ccc2OC3(CCC3)C[CH](NC[CH](O)[CH]4Cc5cccc(CCCCCCCC(=O)N4)c5)c2c1;CCc1ccc2c(c1)C(CC3(O2)CCC3)NCC(C4Cc5cccc(c5)CCCCCCCC(=O)N4)O","InChI=1S/C32H44N2O3/c1-2-23-14-15-30-26(19-23)28(21-32(37-30)16-9-17-32)33-22-29(35)27-20-25-12-8-11-24(18-25)10-6-4-3-5-7-13-31(36)34-27/h8,11-12,14-15,18-19,27-29,33,35H,2-7,9-10,13,16-17,20-22H2,1H3,(H,34,36)/t27-,28-,29+/m0/s1","","2013-04-30","2013-07-05","(3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one","2013-07-10"],["1QU","1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide","C33 H37 F3 N4 O4","FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)C2=CN(C(=O)C(=C2)N3C(=O)CCC3)C4CCCC4)Cc5ccccc5;O[CH](CNCc1cccc(c1)C(F)(F)F)[CH](Cc2ccccc2)NC(=O)C3=CN(C4CCCC4)C(=O)C(=C3)N5CCCC5=O;c1ccc(cc1)CC(C(CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5","InChI=1S/C33H37F3N4O4/c34-33(35,36)25-11-6-10-23(16-25)19-37-20-29(41)27(17-22-8-2-1-3-9-22)38-31(43)24-18-28(39-15-7-14-30(39)42)32(44)40(21-24)26-12-4-5-13-26/h1-3,6,8-11,16,18,21,26-27,29,37,41H,4-5,7,12-15,17,19-20H2,(H,38,43)/t27-,29+/m0/s1","N-((1S,2R)-1-benzyl-2-hydroxy-3-((3-trifluoromethyl)benzyl)amino)propyl)-1-cyclopentyl-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridinecarboxamide","2013-04-30","2021-03-13","1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide","2013-07-10"],["N5H","(2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid","C30 H48 N2 O7","C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC(N)=O;CC(CC=CC=CCCC(=C)CC(C)CC(=CC(=O)O)C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O","InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7+,11-9+,23-17+/t21-,22+,24+,25+,27+/m0/s1","","2019-11-12","2020-03-27","(2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid","2020-04-01"],["N5I","1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE","C13 H15 N2 O8 P","[O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc3cc(ccc23)[N+]([O-])=O;c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)O)O)cc1[N+](=O)[O-]","InChI=1S/C13H15N2O8P/c16-11-6-13(23-12(11)7-22-24(19,20)21)14-4-3-8-5-9(15(17)18)1-2-10(8)14/h1-5,11-13,16H,6-7H2,(H2,19,20,21)/t11-,12+,13+/m0/s1","5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-MONOPHOSPHATE","2007-03-21","2021-03-01","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole",""],["1QV","4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide","C7 H2 F4 N2 O2 S2","O=S(=O)(c1nc2c(F)c(F)c(F)c(F)c2s1)N;N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1;c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F","InChI=1S/C7H2F4N2O2S2/c8-1-2(9)4(11)6-5(3(1)10)13-7(16-6)17(12,14)15/h(H2,12,14,15)","","2013-04-30","2013-07-05","4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide","2013-07-10"],["N5J","3H-pyrido[3,4-d]pyrimidin-4-one","C7 H5 N3 O","O=C1NC=Nc2cnccc12;c1cncc2c1C(=O)NC=N2","InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11)","","2015-11-30","2016-01-15","3H-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["1QW","(2R)-2,3-dihydroxypropyl dodecanoate","C15 H30 O4","O=C(OCC(O)CO)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCCCCC(=O)OCC(CO)O","InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1","1-Lauroyl-rac-glycerol","2013-05-01","2021-03-01","(2R)-2,3-dihydroxypropyl dodecanoate","2013-09-18"],["N5K","3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide","C23 H19 Cl F2 N8 O5 S","COc1nc(N)nc(Nc2cc(ccc2N[CH](c3cccc4OC(F)(F)Oc34)c5ncccc5Cl)[S](N)(=O)=O)n1;COc1nc(nc(n1)Nc2cc(ccc2NC(c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N","InChI=1S/C23H19ClF2N8O5S/c1-37-22-33-20(27)32-21(34-22)31-15-10-11(40(28,35)36)7-8-14(15)30-17(18-13(24)5-3-9-29-18)12-4-2-6-16-19(12)39-23(25,26)38-16/h2-10,17,30H,1H3,(H2,28,35,36)(H3,27,31,32,33,34)/t17-/m0/s1","","2019-11-12","2019-12-06","3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide","2019-12-11"],["1QX","dodecyl hydrogen (S)-(3-azidopropyl)phosphonate","C15 H32 N3 O3 P","[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCC)O;CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-];CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O","InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20)","","2013-05-01","2024-09-27","dodecyl hydrogen (S)-(3-azidopropyl)phosphonate","2013-09-18"],["1QY","tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate","C17 H36 N3 O3 P","[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-];CCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O","InChI=1S/C17H36N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-24(21,22)17-14-15-19-20-18/h2-17H2,1H3,(H,21,22)","","2013-05-01","2024-09-27","tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate","2013-09-18"],["N5L","N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide","C14 H14 Cl N3 O","O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1;Cc1c(N)cncc1NC(=O)Cc2cccc(Cl)c2;Cc1c(cncc1NC(=O)Cc2cccc(c2)Cl)N","InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)","","2023-08-16","2023-11-03","N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide","2023-11-08"],["N5M","5-nitrocytidine 5'-(dihydrogen phosphate)","C9 H13 N4 O10 P","[O-][N+](=O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]","InChI=1S/C9H13N4O10P/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(23-8)2-22-24(19,20)21/h1,4-6,8,14-15H,2H2,(H2,10,11,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1","","2007-12-28","2011-06-04","5-nitrocytidine 5'-(dihydrogen phosphate)",""],["1QZ","6-ethyl-5-{(3S)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","C26 H25 N5 O","n4c(c(C#CC(c3cc(c2c1ccncc1ccc2)cc(OC)c3)C)c(nc4N)N)CC;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)c3cccc4cnccc34;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3cccc4c3ccnc4","InChI=1S/C26H25N5O/c1-4-24-23(25(27)31-26(28)30-24)9-8-16(2)18-12-19(14-20(13-18)32-3)21-7-5-6-17-15-29-11-10-22(17)21/h5-7,10-16H,4H2,1-3H3,(H4,27,28,30,31)/t16-/m1/s1","","2013-05-02","2013-10-04","6-ethyl-5-{(3S)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","2013-10-09"],["1R0","6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine","C25 H23 N5 O","n4c(c(C#CCc3cc(c2c1ccncc1ccc2)cc(OC)c3)c(nc4N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3cccc4cnccc34;CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4","InChI=1S/C25H23N5O/c1-3-23-22(24(26)30-25(27)29-23)9-4-6-16-12-18(14-19(13-16)31-2)20-8-5-7-17-15-28-11-10-21(17)20/h5,7-8,10-15H,3,6H2,1-2H3,(H4,26,27,29,30)","","2013-05-02","2013-10-04","6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine","2013-10-09"],["N5N","2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]\n-cyclopropyl-amino]ethanoic acid","C26 H34 N6 O6 S","O=C(O)CN(C(=O)C(NS(=O)(=O)c2cc1ccccc1cc2)CC(=O)NCC3CCCN(C(=[N@H])N)C3)C4CC4;NC(=N)N1CCC[CH](CNC(=O)C[CH](N[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(O)=O)C4CC4)C1;c1ccc2cc(ccc2c1)S(=O)(=O)NC(CC(=O)NCC3CCCN(C3)C(=N)N)C(=O)N(CC(=O)O)C4CC4","InChI=1S/C26H34N6O6S/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35)/t17-,22-/m0/s1","NAPSAGATRAN; Ro-46-6240","2012-06-11","2020-06-17","N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-cyclopropylglycine",""],["N5O","5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE","C12 H16 N6 O5","O=C(NCCO)C3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCCO;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCO)O)O)N","InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1","(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-N-(2-HYDROXYETHYL)TETRAHYDROFURAN-2-CARBOXAMIDE","2006-06-28","2020-06-17","(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(2-hydroxyethyl)tetrahydrofuran-2-carboxamide (non-preferred name)",""],["1R1","hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate","C19 H40 N3 O3 P","[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-];CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O","InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24)","","2013-05-02","2024-09-27","hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate","2013-09-18"],["1R2","3-hydroxy-5-(3-nitrophenoxy)benzoic acid","C13 H9 N O6","O=C(O)c2cc(Oc1cccc(c1)[N+]([O-])=O)cc(O)c2;OC(=O)c1cc(O)cc(Oc2cccc(c2)[N+]([O-])=O)c1;c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-]","InChI=1S/C13H9NO6/c15-10-4-8(13(16)17)5-12(7-10)20-11-3-1-2-9(6-11)14(18)19/h1-7,15H,(H,16,17)","","2013-05-02","2014-05-09","3-hydroxy-5-(3-nitrophenoxy)benzoic acid","2014-05-14"],["N5P","1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO\n-1H-INDOLE","C13 H17 N2 O14 P3","[O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2ccc3cc(ccc23)[N+]([O-])=O;c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-]","InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1","5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-TRIPHOSPHATE","2007-03-21","2020-06-17","1-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-nitro-1H-indole",""],["1R3","N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C21 H45 N2 O9 P S","O=C(NCCCS(O)(O)CCCCCCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CCCCCCCCC[S](O)(O)CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCS(CCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)(O)O","InChI=1S/C21H45N2O9PS/c1-4-5-6-7-8-9-10-15-34(30,31)16-11-13-22-18(24)12-14-23-20(26)19(25)21(2,3)17-32-33(27,28)29/h19,25,30-31H,4-17H2,1-3H3,(H,22,24)(H,23,26)(H2,27,28,29)/t19-/m0/s1","","2013-05-02","2024-09-27","N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2013-12-25"],["N5Q","4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid","C20 H14 N2 O3 S","OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O;c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O","InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)","","2019-11-12","2020-07-03","4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid","2020-07-08"],["N5R","8-(4-chloroanilino)naphthalene-1-sulfonic acid","C16 H12 Cl N O3 S","Clc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)O)cc1;O[S](=O)(=O)c1cccc2cccc(Nc3ccc(Cl)cc3)c12;c1cc2cccc(c2c(c1)Nc3ccc(cc3)Cl)S(=O)(=O)O","InChI=1S/C16H12ClNO3S/c17-12-7-9-13(10-8-12)18-14-5-1-3-11-4-2-6-15(16(11)14)22(19,20)21/h1-10,18H,(H,19,20,21)","","2022-03-24","2023-04-07","8-(4-chloroanilino)naphthalene-1-sulfonic acid","2023-04-12"],["1R4","L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine","C18 H22 N4 O9 S","O=[N+]([O-])c1ccc(C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1;N[CH](CCC(=O)N[CH](CSCC(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C18H22N4O9S/c19-12(18(28)29)5-6-15(24)21-13(17(27)20-7-16(25)26)8-32-9-14(23)10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t12-,13-/m0/s1","S-(4-nitrophenacyl)glutathione","2013-01-22","2021-03-01","L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine","2013-04-24"],["N5S","N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea","C14 H16 F3 N3 O4","N(C(NCCC(c1oc(C)cc1)(O)C(F)(F)F)=O)c2cc(C)on2;Cc1onc(NC(=O)NCC[C](O)(c2oc(C)cc2)C(F)(F)F)c1;Cc1ccc(o1)C(CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O","InChI=1S/C14H16F3N3O4/c1-8-3-4-10(23-8)13(22,14(15,16)17)5-6-18-12(21)19-11-7-9(2)24-20-11/h3-4,7,22H,5-6H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1","","2019-05-03","2019-12-13","N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea","2019-12-18"],["1R5","7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one","C15 H10 F N O2","Fc3ccc(c1ccc2c(c1)NC(=O)C(O)=C2)cc3;OC1=Cc2ccc(cc2NC1=O)c3ccc(F)cc3;c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F","InChI=1S/C15H10FNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)15(19)17-13(11)7-10/h1-8,18H,(H,17,19)","","2013-05-03","2013-05-24","7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one","2013-05-29"],["1R6","(12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione","C34 H41 N3 O4","O=C1C=CC3=CN1CCCCc2cccc(c2)CC(NC3=O)C(O)CNC4c6c(OC5(C4)CCC5)ccc(c6)CC;CCc1ccc2OC3(CCC3)C[CH](NC[CH](O)[CH]4Cc5cccc(CCCC[N]6C=C(C=CC6=O)C(=O)N4)c5)c2c1;CCc1ccc2c(c1)C(CC3(O2)CCC3)NCC(C4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O","InChI=1S/C34H41N3O4/c1-2-23-10-12-31-27(18-23)29(20-34(41-31)14-6-15-34)35-21-30(38)28-19-25-9-5-8-24(17-25)7-3-4-16-37-22-26(33(40)36-28)11-13-32(37)39/h5,8-13,17-18,22,28-30,35,38H,2-4,6-7,14-16,19-21H2,1H3,(H,36,40)/t28-,29-,30+/m0/s1","","2013-05-03","2013-06-28","(12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione","2013-07-03"],["N5T","(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE","C19 H18 F2 N2 O","O=C(N(C)C)N2CC(=CC2c1ccccc1)c3cc(F)ccc3F;CN(C)C(=O)N1CC(=C[CH]1c2ccccc2)c3cc(F)ccc3F;CN(C)C(=O)N1CC(=CC1c2ccccc2)c3cc(ccc3F)F","InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1","","2006-01-17","2011-06-04","(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide",""],["N5U","1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one","C12 H19 N3 O","CCC(=O)N1CCCC[CH]1c2cncn2C;CCC(=O)N1CCCCC1c2cncn2C","InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1","","2022-08-12","2024-09-27","1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one","2022-09-28"],["1R7","N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide","C25 H30 N4 O4 S","O=C(n2cc1ccncc1c2)NCc3ccc(cc3)S(=O)(=O)C5CCN(C4CCOCC4)CC5;O=C(NCc1ccc(cc1)[S](=O)(=O)C2CCN(CC2)C3CCOCC3)n4cc5ccncc5c4;c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5","InChI=1S/C25H30N4O4S/c30-25(29-17-20-5-10-26-16-21(20)18-29)27-15-19-1-3-23(4-2-19)34(31,32)24-6-11-28(12-7-24)22-8-13-33-14-9-22/h1-5,10,16-18,22,24H,6-9,11-15H2,(H,27,30)","","2013-05-03","2013-08-09","N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide","2013-08-14"],["N5V","N-ethyl-N'-1,3-thiazol-2-ylurea","C6 H9 N3 O S","N(C(NCC)=O)c1nccs1;CCNC(=O)Nc1sccn1;CCNC(=O)Nc1nccs1","InChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)","","2019-05-03","2019-12-13","N-ethyl-N'-1,3-thiazol-2-ylurea","2019-12-18"],["1R8","(3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one","C31 H42 N2 O3","O=C2NC(Cc1cccc(c1)CCCCCC2)C(O)CNC3c5c(OC4(C3)CCC4)ccc(c5)CC;CCc1ccc2OC3(CCC3)C[CH](NC[CH](O)[CH]4Cc5cccc(CCCCCCC(=O)N4)c5)c2c1;CCc1ccc2c(c1)C(CC3(O2)CCC3)NCC(C4Cc5cccc(c5)CCCCCCC(=O)N4)O","InChI=1S/C31H42N2O3/c1-2-22-13-14-29-25(18-22)27(20-31(36-29)15-8-16-31)32-21-28(34)26-19-24-11-7-10-23(17-24)9-5-3-4-6-12-30(35)33-26/h7,10-11,13-14,17-18,26-28,32,34H,2-6,8-9,12,15-16,19-21H2,1H3,(H,33,35)/t26-,27-,28+/m0/s1","","2013-05-03","2013-06-28","(3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one","2013-07-03"],["N5W","1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole","C17 H13 F3 N2","FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2;c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F","InChI=1S/C17H13F3N2/c18-17(19,20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-10-9-21-12-22/h1-10,12H,11H2","","2019-11-12","2021-05-21","1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole","2021-05-26"],["1R9","2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide","C21 H18 Cl N3 O2 S","O=C(NC1CC1)c2cc(c(cc2)C)NC(=O)c3sc(nc3)c4c(Cl)cccc4;Cc1ccc(cc1NC(=O)c2sc(nc2)c3ccccc3Cl)C(=O)NC4CC4;Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4","InChI=1S/C21H18ClN3O2S/c1-12-6-7-13(19(26)24-14-8-9-14)10-17(12)25-20(27)18-11-23-21(28-18)15-4-2-3-5-16(15)22/h2-7,10-11,14H,8-9H2,1H3,(H,24,26)(H,25,27)","","2013-05-03","2013-06-07","2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide","2013-06-12"],["1RA","ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate","C23 H23 N3 O4","O=C(NC1CC1)c2cc(c(cc2)C)NC(=O)c3ccc4c(c3)n(cc4)C(=O)OCC;CCOC(=O)n1ccc2ccc(cc12)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4;CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4","InChI=1S/C23H23N3O4/c1-3-30-23(29)26-11-10-15-6-7-17(13-20(15)26)22(28)25-19-12-16(5-4-14(19)2)21(27)24-18-8-9-18/h4-7,10-13,18H,3,8-9H2,1-2H3,(H,24,27)(H,25,28)","","2013-05-03","2013-06-07","ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate","2013-06-12"],["N5X","3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid","C26 H26 Cl N3 O3","Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Cl)cc4)C(O)=O;Cc1ccc(c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)Cl)C(=O)O)C","InChI=1S/C26H26ClN3O3/c1-17-3-4-18(2)24(15-17)30-13-11-29(12-14-30)23-10-7-20(26(32)33)16-22(23)28-25(31)19-5-8-21(27)9-6-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,31)(H,32,33)","","2023-01-11","2023-12-22","3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid","2023-12-27"],["N5Y","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide","C19 H18 N4 O3","O=C(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C;CN(C(=O)c1ccccc1)C2=C(N)N(Cc3ccccc3)C(=O)NC2=O;CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3","InChI=1S/C19H18N4O3/c1-22(18(25)14-10-6-3-7-11-14)15-16(20)23(19(26)21-17(15)24)12-13-8-4-2-5-9-13/h2-11H,12,20H2,1H3,(H,21,24,26)","","2012-05-03","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide","2012-10-26"],["1RB","1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE","C12 H15 N2 O7 P","O=P(O)(O)OCC3OC(n2cnc1ccccc12)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ccccc23;c1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1","ALPHA-RIBAZOLE-5'-PHOSPHATE DERIVATIVE","2002-03-19","2020-06-17","1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole",""],["N5Z","1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole","C18 H15 F N2","Fc1ccc(cc1)c2ccc(C=CCn3ccnc3)cc2;c1cc(ccc1C=CCn2ccnc2)c3ccc(cc3)F","InChI=1S/C18H15FN2/c19-18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-12-21-13-11-20-14-21/h1-11,13-14H,12H2/b2-1+","","2019-11-12","2021-05-21","1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole","2021-05-26"],["1RC","(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide","C18 H17 Cl N2 O4","Clc1cc(c(O)cc1O)C(=O)N3C(c2ccccc2C3)C(=O)NCC;CCNC(=O)[CH]1N(Cc2ccccc12)C(=O)c3cc(Cl)c(O)cc3O;CCNC(=O)C1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl","InChI=1S/C18H17ClN2O4/c1-2-20-17(24)16-11-6-4-3-5-10(11)9-21(16)18(25)12-7-13(19)15(23)8-14(12)22/h3-8,16,22-23H,2,9H2,1H3,(H,20,24)/t16-/m1/s1","(1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide","2009-10-22","2021-03-13","(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide",""],["N60","2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide","C22 H20 F5 N3 O3","CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13;CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)NC1c2ccccc2-c3ccccc3NC1=O","InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1","RO4929097; KK8645V7LE","2023-08-22","2024-08-09","2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide","2024-08-14"],["1RD","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide","C23 H36 N6 O4 S2","O=C(OCc1scnc1)NCCCCNC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)NCCCCNC(=O)OCc2scnc2;CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2","InChI=1S/C23H36N6O4S2/c1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/t19-/m0/s1","","2013-05-06","2013-06-14","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide","2013-06-19"],["1RE","4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile","C22 H30 N6 O4","N#Cc1ccc(cc1OCCC(C)C)Nc3nc(OCCN2CCOCC2)nc(OC)n3;COc1nc(Nc2ccc(C#N)c(OCCC(C)C)c2)nc(OCCN3CCOCC3)n1;CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC","InChI=1S/C22H30N6O4/c1-16(2)6-10-31-19-14-18(5-4-17(19)15-23)24-20-25-21(29-3)27-22(26-20)32-13-9-28-7-11-30-12-8-28/h4-5,14,16H,6-13H2,1-3H3,(H,24,25,26,27)","","2013-05-07","2013-08-09","4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile","2013-08-14"],["N61","1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea","C20 H23 N5 O2","O=C(Nc1cc(nn1C)C(C)(C)C)Nc3ccc(Oc2ccncc2)cc3;Cn1nc(cc1NC(=O)Nc2ccc(Oc3ccncc3)cc2)C(C)(C)C;CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3","InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)","","2012-05-10","2012-12-14","1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea","2012-12-14"],["N62","~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide","C28 H24 F3 N O8","OC[CH]1O[CH](CNC(=O)c2ccc(F)c3ccccc23)[CH](O)[CH](OCC4=Cc5c(F)c(F)ccc5OC4=O)[CH]1O;c1ccc2c(c1)c(ccc2F)C(=O)NCC3C(C(C(C(O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O","InChI=1S/C28H24F3NO8/c29-18-6-5-16(14-3-1-2-4-15(14)18)27(36)32-10-21-24(34)26(25(35)22(11-33)39-21)38-12-13-9-17-20(40-28(13)37)8-7-19(30)23(17)31/h1-9,21-22,24-26,33-35H,10-12H2,(H,32,36)/t21-,22+,24-,25-,26+/m0/s1","","2019-11-13","2020-11-13","~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide","2020-11-18"],["1RF","vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)","C4 H13 O7 V","O[V](OCCOCCO)(O)(O)O;OCCOCCO[V](O)(O)(O)O;C(COCCO[V](O)(O)(O)O)O","InChI=1S/C4H9O3.4H2O.V/c5-1-3-7-4-2-6;;;;;/h5H,1-4H2;4*1H2;/q-1;;;;;+5/p-4","","2013-05-07","2014-05-16","vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)","2014-05-21"],["N63","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","C22 H30 F3 N3 O8 S","FC(F)(F)c1cccc(c1)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1cccc(c1)C(F)(F)F)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)C(F)(F)F","InChI=1S/C22H30F3N3O8S/c1-12(2)8-16(28-21(32)36-11-13-4-3-5-15(9-13)22(23,24)25)19(30)27-17(20(31)37(33,34)35)10-14-6-7-26-18(14)29/h3-5,9,12,14,16-17,20,31H,6-8,10-11H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20?/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2022-05-04"],["1RG","(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","C22 H27 N3 O7 S","O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2=C(C(=O)O)NC(C2C)C(C=O)C(O)C)C3;C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O;CC1C(NC(=C1SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)C(C=O)C(C)O","InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1","ERTAPENEM, bound form PRE-ISOMERIZED","2009-10-19","2024-09-27","(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",""],["1RH","N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide","C32 H33 N5 O4","O=C(N2c1c(cccc1)N(C(=O)C(NC(=O)C(NC)C)C2)Cc4c3ccccc3ccc4OC)c5ccc(N)cc5;CN[CH](C)C(=O)N[CH]1CN(C(=O)c2ccc(N)cc2)c3ccccc3N(Cc4c(OC)ccc5ccccc45)C1=O;CC(C(=O)NC1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC","InChI=1S/C32H33N5O4/c1-20(34-2)30(38)35-26-19-37(31(39)22-12-15-23(33)16-13-22)28-11-7-6-10-27(28)36(32(26)40)18-25-24-9-5-4-8-21(24)14-17-29(25)41-3/h4-17,20,26,34H,18-19,33H2,1-3H3,(H,35,38)/t20-,26-/m0/s1","","2013-05-08","2013-11-22","N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide","2013-11-27"],["N64","N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea","C18 H25 N5 O2","N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O;Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1;Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3","InChI=1S/C18H25N5O2/c1-15-14-17(21-25-15)20-18(24)19-8-5-9-22-10-12-23(13-11-22)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H2,19,20,21,24)","","2019-05-03","2019-12-13","N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea","2019-12-18"],["1RI","3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide","C22 H16 N4 O3 S","O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3;c1ccc(cc1)Oc2cccc(c2)C(=O)NN=Cc3ccc(o3)Sc4ncccn4","InChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+","","2021-07-06","2021-12-24","3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide","2021-12-29"],["N65","(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal","C11 H22 N2 O2","CCCC(C)=NCCCC[CH](N)C(O)=O;CCCC(=NCCCCC(C(=O)O)N)C","InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1","","2019-11-13","2024-09-27","(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid","2020-06-03"],["1RJ","4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide","C18 H18 F N5 O","Fc1cccc(c1)C(CNC)Nc1ncnc2c1cccc2C(N)=O;CNC[CH](Nc1ncnc2c(cccc12)C(N)=O)c3cccc(F)c3;CNCC(c1cccc(c1)F)Nc2c3cccc(c3ncn2)C(=O)N","InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)/t15-/m1/s1","","2021-06-24","2022-07-01","4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide","2022-07-06"],["N66","~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide","C33 H39 N7 O2","CCc1cccc(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34;CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC","InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)","","2017-02-23","2017-05-26","~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide","2017-05-31"],["N67","N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide","C11 H14 N4 O4 S2","N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O;CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1;Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC","InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)","","2019-05-03","2019-12-13","N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide","2019-12-18"],["1RK","6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid","C30 H33 N3 O7","O=C(O)c1ccc2c(c1)ccc(OC)c2CN3c5c(OC4(C(C3=O)NC(=O)C(NC)C)CCOCC4)cccc5;CN[CH](C)C(=O)N[CH]1C(=O)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)c4ccccc4OC15CCOCC5;CC(C(=O)NC1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC","InChI=1S/C30H33N3O7/c1-18(31-2)27(34)32-26-28(35)33(23-6-4-5-7-25(23)40-30(26)12-14-39-15-13-30)17-22-21-10-8-20(29(36)37)16-19(21)9-11-24(22)38-3/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)(H,36,37)/t18-,26+/m0/s1","","2013-05-08","2013-11-22","6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid","2013-11-27"],["N68","6-aminohexyl dihydrogen phosphate","C6 H16 N O4 P","O=P(OCCCCCCN)(O)O;NCCCCCCO[P](O)(O)=O;C(CCCOP(=O)(O)O)CCN","InChI=1S/C6H16NO4P/c7-5-3-1-2-4-6-11-12(8,9)10/h1-7H2,(H2,8,9,10)","","2011-05-31","2011-12-02","6-aminohexyl dihydrogen phosphate",""],["1RL","Benzoxazinorifamycin-2b","C49 H61 N3 O13","O=C6c5c1OC6(OC=CC(OC)C(C)C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)NC=2C(=O)c(c(O)c1C)c5C3=Nc4c(OC=23)cccc4OCCN(CC)CC)C)C)C;CCN(CC)CCOc1cccc2OC3=C4NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC)C=CO[C]5(C)Oc6c(C)c(O)c(C4=O)c(C3=Nc12)c6C5=O)C;CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)C(O6)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O","InChI=1S/C49H61N3O13/c1-12-52(13-2)21-23-61-32-18-15-19-33-37(32)50-38-34-35-42(56)29(8)45-36(34)47(58)49(10,65-45)62-22-20-31(60-11)26(5)44(63-30(9)53)28(7)41(55)27(6)40(54)24(3)16-14-17-25(4)48(59)51-39(43(35)57)46(38)64-33/h14-20,22,24,26-28,31,40-41,44,54-56H,12-13,21,23H2,1-11H3,(H,51,59)/b16-14?,22-20+,25-17-/t24-,26+,27+,28+,31-,40-,41+,44+,49-/m0/s1","","2013-05-09","2013-05-17","(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-12-[2-(diethylamino)ethoxy]-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-1,6,15-trioxo-1,2-dihydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate","2013-05-22"],["N69","6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE","C15 H23 N5 O","n2c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C;CC(C)c1[nH]c2nc(N)nc(OCC3CCCCC3)c2n1;CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3","InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20)","INHIBITOR OF CDK2","2004-09-20","2020-06-17","6-(cyclohexylmethoxy)-8-(1-methylethyl)-9H-purin-2-amine",""],["1RM","Benzoxazinorifamycin-2c","C56 H70 N6 O13","O=C8c7c1OC8(OC=CC(OC)C(C)C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)NC=2C(=O)c(c(O)c1C)c7C3=Nc6c(OC=23)cccc6OCCCCN5CCN(CCn4ccnc4)CC5)C)C)C;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=C5Oc6cccc(OCCCCN7CCN(CC7)CCn8ccnc8)c6N=C5c4c3C2=O)NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C56H70N6O13/c1-31-14-12-15-32(2)55(69)59-46-50(67)42-41(45-53(46)74-40-17-13-16-39(44(40)58-45)71-28-11-10-20-60-22-24-61(25-23-60)26-27-62-21-19-57-30-62)43-52(36(6)49(42)66)75-56(8,54(43)68)72-29-18-38(70-9)33(3)51(73-37(7)63)35(5)48(65)34(4)47(31)64/h12-19,21,29-31,33-35,38,47-48,51,64-66H,10-11,20,22-28H2,1-9H3,(H,59,69)/b14-12+,29-18+,32-15?/t31-,33+,34+,35+,38-,47-,48+,51+,56-/m0/s1","","2013-05-09","2013-05-17","(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-12-(4-{4-[2-(1H-imidazol-1-yl)ethyl]piperazin-1-yl}butoxy)-27-methoxy-2,4,16,20,22,24,26-heptamethyl-1,6,15-trioxo-1,2-dihydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate","2013-05-22"],["N6A","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide","C18 H18 N4 O4 S","O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C;CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3","InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24)","","2012-05-01","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide","2012-10-26"],["1RN","(E)-N-{[4-oxo-1-(5-O-phosphono-beta-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine","C12 H16 N3 O10 P S","O=C(O)C/N=C/C=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=NCC(O)=O)C(=O)NC2=S;C1=C(C(=O)NC(=S)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C=NCC(=O)O","InChI=1S/C12H16N3O10PS/c16-7(17)2-13-1-5-3-15(12(27)14-10(5)20)11-9(19)8(18)6(25-11)4-24-26(21,22)23/h1,3,6,8-9,11,18-19H,2,4H2,(H,16,17)(H,14,20,27)(H2,21,22,23)/b13-1+/t6-,8-,9+,11-/m1/s1","","2013-05-09","2013-05-24","(E)-N-{[4-oxo-1-(5-O-phosphono-beta-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine","2013-05-29"],["1RO","(5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one","C18 H13 N3 O S2","O=C1N=C(S/C1=C/c3cc2cccnc2cc3)NCc4sccc4;O=C1N=C(NCc2sccc2)SC1=Cc3ccc4ncccc4c3;c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cccs4","InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10+","","2012-05-04","2013-02-01","(5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one","2013-02-01"],["N6B","4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide","C26 H22 F4 N4 O5","OC[CH]1O[CH](CNC(=O)c2ccc(F)c3ccccc23)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cc(F)c(F)c(F)c5;c1ccc2c(c1)c(ccc2F)C(=O)NCC3C(C(C(C(O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O","InChI=1S/C26H22F4N4O5/c27-16-6-5-15(13-3-1-2-4-14(13)16)26(38)31-9-20-24(36)23(25(37)21(11-35)39-20)34-10-19(32-33-34)12-7-17(28)22(30)18(29)8-12/h1-8,10,20-21,23-25,35-37H,9,11H2,(H,31,38)/t20-,21+,23+,24-,25-/m0/s1","","2019-11-13","2020-11-13","4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide","2020-11-18"],["N6C","1-nitrohexane","C6 H13 N O2","[O-][N+](=O)CCCCCC;CCCCCC[N+]([O-])=O;CCCCCC[N+](=O)[O-]","InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3","","2008-05-30","2011-06-04","1-nitrohexane",""],["1RP","6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide","C10 H13 F N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)C(=NC(F)=C1)C(=O)N)C(O)C2O;NC(=O)C1=NC(=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O)F;C1=C(N=C(C(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N)F","InChI=1S/C10H13FN3O9P/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(23-10)2-22-24(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1","","2013-05-09","2013-08-09","6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide","2013-08-14"],["N6D","N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea","C13 H15 N3 O3","N(C(Nc1cccc(COC)c1)=O)c2cc(C)on2;COCc1cccc(NC(=O)Nc2cc(C)on2)c1;Cc1cc(no1)NC(=O)Nc2cccc(c2)COC","InChI=1S/C13H15N3O3/c1-9-6-12(16-19-9)15-13(17)14-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H2,14,15,16,17)","","2019-05-03","2019-12-13","N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea","2019-12-18"],["1RQ","cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1H-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone","C30 H28 N6 O2","O=C(N6CCCC(Nc5nc(n3c4cc(O)ccc4nc3c2cc1ccccc1cc2)ccn5)C6)C7CC7;Oc1ccc2nc(n(c3ccnc(N[CH]4CCCN(C4)C(=O)C5CC5)n3)c2c1)c6ccc7ccccc7c6;c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)NC6CCCN(C6)C(=O)C7CC7)O","InChI=1S/C30H28N6O2/c37-24-11-12-25-26(17-24)36(28(33-25)22-10-7-19-4-1-2-5-21(19)16-22)27-13-14-31-30(34-27)32-23-6-3-15-35(18-23)29(38)20-8-9-20/h1-2,4-5,7,10-14,16-17,20,23,37H,3,6,8-9,15,18H2,(H,31,32,34)/t23-/m1/s1","","2013-05-09","2014-05-16","cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1H-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone","2014-05-21"],["N6E","N6-Methyladenosine 5'-triphosphate","C11 H18 N5 O13 P3","CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","","2019-11-14","2020-09-18","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-09-23"],["1RR","N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide","C38 H47 N5 O7","O=C(N5C(C(=O)NC1(C(=O)O)CC1/C=C)CC(Oc3c4ccc(OC)cc4nc(c2ccccc2)c3)C5)C(NC(=O)NC(C)(C)C)C(C)(C)C;COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[C]4(C[CH]4C=C)C(O)=O)cc(nc2c1)c5ccccc5;CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C","InChI=1S/C38H47N5O7/c1-9-23-20-38(23,34(46)47)41-32(44)29-18-25(21-43(29)33(45)31(36(2,3)4)40-35(48)42-37(5,6)7)50-30-19-27(22-13-11-10-12-14-22)39-28-17-24(49-8)15-16-26(28)30/h9-17,19,23,25,29,31H,1,18,20-21H2,2-8H3,(H,41,44)(H,46,47)(H2,40,42,48)/t23-,25-,29+,31-,38-/m1/s1","","2013-05-09","2014-03-21","N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide","2014-03-26"],["N6F","(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide","C16 H16 Cl N3 O2","O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1;C[CH](C(=O)Nc1cnccc1NC(C)=O)c2cccc(Cl)c2;CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2NC(=O)C","InChI=1S/C16H16ClN3O2/c1-10(12-4-3-5-13(17)8-12)16(22)20-15-9-18-7-6-14(15)19-11(2)21/h3-10H,1-2H3,(H,20,22)(H,18,19,21)/t10-/m0/s1","","2023-08-16","2023-11-03","(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide","2023-11-08"],["1RS","1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine","C13 H15 N5","n4c1nccc1c2c(ncn2C3CCNCC3)c4;C1CC(CCN1)n2cnc3cnc4[nH]ccc4c23;c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4","InChI=1S/C13H15N5/c1-4-14-5-2-9(1)18-8-17-11-7-16-13-10(12(11)18)3-6-15-13/h3,6-9,14H,1-2,4-5H2,(H,15,16)","","2013-05-23","2013-05-24","1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine","2013-05-29"],["N6G","((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE","C10 H15 N6 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N)C(O)C3O;Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)O)O)O)N)N","InChI=1S/C10H15N6O7P/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1","","2005-10-24","2011-06-04","2-aminoadenosine 5'-(dihydrogen phosphate)",""],["1RT","4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid","C5 H5 N3 O3","O=C1N=C(N)C(C(=O)O)=CN1;NC1=NC(=O)NC=C1C(O)=O;C1=C(C(=NC(=O)N1)N)C(=O)O","InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)","","2013-05-10","2013-05-24","4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid","2013-05-29"],["1RU","7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine","C23 H22 Cl2 F N5 O2","Clc1ccc(F)c(Cl)c1C(Oc3c2occ(c2cnc3N)c4cn(nc4)C5CCNCC5)C;C[CH](Oc1c(N)ncc2c1occ2c3cnn(c3)C4CCNCC4)c5c(Cl)ccc(F)c5Cl;CC(c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5","InChI=1S/C23H22Cl2FN5O2/c1-12(19-17(24)2-3-18(26)20(19)25)33-22-21-15(9-29-23(22)27)16(11-32-21)13-8-30-31(10-13)14-4-6-28-7-5-14/h2-3,8-12,14,28H,4-7H2,1H3,(H2,27,29)/t12-/m1/s1","","2013-05-10","2014-04-25","7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine","2014-04-30"],["N6H","[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone","C22 H24 Cl N3 O4","COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CCOC(C)(C)C4;CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C","InChI=1S/C22H24ClN3O4/c1-22(2)13-26(7-8-29-22)20(27)15-10-17-19(18(11-15)28-3)30-21(25-17)24-12-14-5-4-6-16(23)9-14/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,24,25)","","2019-11-14","2020-08-21","[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone","2020-08-26"],["N6I","(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one","C25 H26 Cl N5 O3","Clc1cccc(c1)C(O)CNC=1C=CNC(=O)C=1c1nc2c(cc(cc2C)N2CCOCC2)[NH]1;Cc1cc(cc2[nH]c(nc12)C3=C(NC[CH](O)c4cccc(Cl)c4)C=CNC3=O)N5CCOCC5;Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5","InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1","","2022-03-24","2023-03-31","(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one","2023-04-05"],["1RV","2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide","C9 H9 N5 O2 S2","O=C(c1c(scc1)NC(=O)CSc2ncnn2)N;NC(=O)c1ccsc1NC(=O)CSc2[nH]ncn2;c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2","InChI=1S/C9H9N5O2S2/c10-7(16)5-1-2-17-8(5)13-6(15)3-18-9-11-4-12-14-9/h1-2,4H,3H2,(H2,10,16)(H,13,15)(H,11,12,14)","","2013-05-10","2013-09-13","2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide","2013-09-18"],["1RY","[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C8 H13 F N3 O12 P3 S","NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F","InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1","","2013-05-14","2014-07-11","[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2014-07-16"],["N6J","N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea","C16 H15 N7 O2","N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O;Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1;Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3","InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)","","2019-05-03","2019-12-13","N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea","2019-12-18"],["1RZ","Lamivudine Triphosphate","C8 H14 N3 O12 P3 S","NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1","Lamivudine-5'-triphosphate; 3TC Triphosphate;\n[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono\nhydrogen phosphate","2013-05-14","2020-06-17","[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2014-07-16"],["N6K","~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide","C10 H13 N3 O2 S","CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1;CCS(=O)(=O)NCc1ccc2c(c1)cn[nH]2","InChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13)","N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor)","2022-08-12","2024-09-27","~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide","2022-09-28"],["1S0","4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one","C9 H16 N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1","","2013-05-14","2014-07-11","4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one","2014-07-16"],["N6L","D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide","C21 H23 Cl2 N3 O2","O=C(NCc1cc(Cl)ccc1Cl)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3Cl;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cc(ccc3Cl)Cl)N","InChI=1S/C21H23Cl2N3O2/c22-16-8-9-17(23)15(12-16)13-25-20(27)19-7-4-10-26(19)21(28)18(24)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,18-19H,4,7,10-11,13,24H2,(H,25,27)/t18-,19+/m1/s1","","2014-12-12","2015-08-21","D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide","2015-08-26"],["N6M","N-METHYL-9H-PURIN-6-AMINE","C6 H7 N5","n2c1c(ncn1)c(nc2)NC;CNc1ncnc2[nH]cnc12;CNc1c2c([nH]cn2)ncn1","InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)","N6-METHYL ADENINE","2010-08-09","2021-03-01","N-methyl-9H-purin-6-amine",""],["1S1","2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile","C12 H17 N9","N#CC(Nc1nc(nc(n1)n2ncnc2)NC)(CC)CC;CCC(CC)(Nc1nc(NC)nc(n1)n2cncn2)C#N;CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC","InChI=1S/C12H17N9/c1-4-12(5-2,6-13)20-10-17-9(14-3)18-11(19-10)21-8-15-7-16-21/h7-8H,4-5H2,1-3H3,(H2,14,17,18,19,20)","","2013-05-14","2013-07-05","2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile","2013-07-10"],["N6N","3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione","C8 H6 Br N3 S","Brc1cccc(c1)C2=NNC(=S)N2;c1cc(cc(c1)Br)C2=NNC(=S)N2","InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)","","2023-01-11","2024-09-27","3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione","2023-12-13"],["1S2","4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine","C16 H16 Cl N5","Cn1nc(c(Cc2ccccc2)c1C)c3cc(Cl)nc(N)n3;Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3","InChI=1S/C16H16ClN5/c1-10-12(8-11-6-4-3-5-7-11)15(21-22(10)2)13-9-14(17)20-16(18)19-13/h3-7,9H,8H2,1-2H3,(H2,18,19,20)","inhibitor TDI10229","2021-06-14","2021-10-01","4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine","2021-10-06"],["1S3","(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide","C6 H11 O8 P","O=P1(OC2C(O)C(O)C(OC2O1)CO)O;OC[CH]1O[CH]2O[P](O)(=O)O[CH]2[CH](O)[CH]1O;C(C1C(C(C2C(O1)OP(=O)(O2)O)O)O)O","InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1","Glucose1,2cyclic phosphate","2013-05-15","2020-07-17","(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide","2013-12-11"],["N6O","(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide","C19 H16 Cl F N4 O2","Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccccc1F;NC(=O)C[CH](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3;c1ccc(c(c1)c2c(c[nH]n2)C(=O)NC(CC(=O)N)c3cccc(c3)Cl)F","InChI=1S/C19H16ClFN4O2/c20-12-5-3-4-11(8-12)16(9-17(22)26)24-19(27)14-10-23-25-18(14)13-6-1-2-7-15(13)21/h1-8,10,16H,9H2,(H2,22,26)(H,23,25)(H,24,27)/t16-/m0/s1","","2022-03-24","2022-04-29","(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide","2022-05-04"],["1S4","alpha-muramic acid","C9 H17 N O7","O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C;C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N","InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1","muramic acid; 2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose","2013-05-15","2020-07-17","2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose","2020-07-29"],["N6P","6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine","C20 H19 N4 O7 P","O=P(O)(O)OCC5OC(n2cnc1c(ncnc12)c4cc3ccccc3cc4)C(O)C5O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4ccc5ccccc5c4;c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)C5C(C(C(O5)COP(=O)(O)O)O)O","InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1","6-Naphthylpurine riboside 5'-monophosphate","2014-03-21","2020-06-17","6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine","2014-08-20"],["N6Q","7-methyl-3-methylidene-oct-1-ene","C10 H18","CC(C)CCCC(=C)C=C;CC(C)CCCC(=C)C=C","InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,9H,1,4,6-8H2,2-3H3","","2019-11-14","2020-10-02","7-methyl-3-methylidene-oct-1-ene","2020-10-07"],["1S5","5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium","C19 H26 N2 O2","O(c1c[n+](c(cc1O)CCCCCC)C)c2ccc(N)cc2C;CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(N)cc2C;CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N","InChI=1S/C19H26N2O2/c1-4-5-6-7-8-16-12-17(22)19(13-21(16)3)23-18-10-9-15(20)11-14(18)2/h9-13H,4-8,20H2,1-3H3/p+1","","2013-04-30","2014-04-04","5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium","2014-04-09"],["1S6","(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb\noxylic acid","C19 H21 N3 O5 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C;Cc1onc(c2ccccc2)c1C(=O)N[CH](C=O)[CH]3N[CH](C(O)=O)C(C)(C)S3;Cc1c(c(no1)c2ccccc2)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O","InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1","Oxacillin, bound form","2013-05-15","2024-09-27","(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid","2013-10-09"],["N6R","(2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate","C19 H22 N5 O6 P","O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O;C[CH](Cc1ccccc1)Nc2ncnc3n(cnc23)[CH]4O[CH]5CO[P](O)(=O)O[CH]5[CH]4O;CC(Cc1ccccc1)Nc2c3c(ncn2)n(cn3)C4C(C5C(O4)COP(=O)(O5)O)O","InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13+,15-,16+,19-/m1/s1","(2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide","2009-07-08","2021-03-13","(2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide",""],["1S7","(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C15 H16 N2 O5 S2","O=CC(OC)(NC(=O)Cc1sccc1)C2N=C(C(=O)O)C(=C)CS2;CO[C](NC(=O)Cc1sccc1)(C=O)[CH]2SCC(=C)C(=N2)C(O)=O;COC(C=O)(C1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2","InChI=1S/C15H16N2O5S2/c1-9-7-24-14(16-12(9)13(20)21)15(8-18,22-2)17-11(19)6-10-4-3-5-23-10/h3-5,8,14H,1,6-7H2,2H3,(H,17,19)(H,20,21)/t14-,15+/m1/s1","Cefoxitin, bound form","2013-05-15","2024-09-27","(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2014-10-29"],["N6S","(2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate","C19 H22 N5 O6 P","O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O;C[CH](Cc1ccccc1)Nc2ncnc3n(cnc23)[CH]4O[CH]5CO[P](O)(=O)O[CH]5[CH]4O;CC(Cc1ccccc1)Nc2c3c(ncn2)n(cn3)C4C(C5C(O4)COP(=O)(O5)O)O","InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13-,15+,16-,19+/m0/s1","(2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi\nnine-2,7-diol 2-oxide","2009-07-08","2020-06-17","(2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide",""],["1S8","N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide","C29 H24 N4 O3","O=C(c1ccccc1)Nc2ccc(cc2)Nc4nc(nc3c4cc(OC)c(O)c3)Cc5ccccc5;COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(Cc5ccccc5)nc2cc1O;COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5","InChI=1S/C29H24N4O3/c1-36-26-17-23-24(18-25(26)34)32-27(16-19-8-4-2-5-9-19)33-28(23)30-21-12-14-22(15-13-21)31-29(35)20-10-6-3-7-11-20/h2-15,17-18,34H,16H2,1H3,(H,31,35)(H,30,32,33)","","2013-05-17","2014-10-10","N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide","2014-10-15"],["N6T","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine","C11 H20 N3 O12 P3","O=P(O)(O)NP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C[P](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O","InChI=1S/C11H20N3O12P3/c1-6-3-14(11(17)12-10(6)16)9-2-7(15)8(26-9)4-25-28(20,21)5-27(18,19)13-29(22,23)24/h3,7-9,15H,2,4-5H2,1H3,(H,20,21)(H,12,16,17)(H4,13,18,19,22,23,24)/t7-,8+,9+/m0/s1","","2014-11-13","2015-06-26","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine","2015-07-01"],["N6U","~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide","C9 H11 N3 O2 S","CC[S](=O)(=O)Nc1ccnc2[nH]ccc12;CCS(=O)(=O)Nc1ccnc2c1cc[nH]2","InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H2,10,11,12)","","2022-08-12","2024-09-27","~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide","2022-09-28"],["1S9","[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid","C24 H20 N4 O5","O=C(c1ccccc1)Nc2ccc(cc2)Nc4ncnc3c4cc(OC)c(OCC(=O)O)c3;COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O;COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4","InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)","","2013-05-17","2014-10-10","[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid","2014-10-15"],["1SA","5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE","C2 H4 N4 O2 S2","O=S(=O)(c1nnc(s1)N)N;Nc1sc(nn1)[S](N)(=O)=O;c1(nnc(s1)S(=O)(=O)N)N","InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)","","2006-07-20","2011-06-04","5-amino-1,3,4-thiadiazole-2-sulfonamide",""],["N6V","N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea","C19 H25 N5 O2","n1(CCN(CC)CC)ccc2c1ccc(c2)NC(Nc3cc(C)on3)=O;CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc12;CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C","InChI=1S/C19H25N5O2/c1-4-23(5-2)10-11-24-9-8-15-13-16(6-7-17(15)24)20-19(25)21-18-12-14(3)26-22-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,22,25)","","2019-05-03","2019-12-13","N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea","2019-12-18"],["1SB","N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide","C16 H16 N2 O3","O=C(N/N=C/c1ccc(O)cc1)Cc2cc(OC)ccc2;COc1cccc(CC(=O)NN=Cc2ccc(O)cc2)c1;COc1cccc(c1)CC(=O)NN=Cc2ccc(cc2)O","InChI=1S/C16H16N2O3/c1-21-15-4-2-3-13(9-15)10-16(20)18-17-11-12-5-7-14(19)8-6-12/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+","","2010-09-20","2011-09-16","N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide",""],["N6W","benzo[b][1]benzazepine-11-carboxamide","C15 H12 N2 O","NC(=O)N1c2ccccc2C=Cc3ccccc13;c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N","InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)","","2019-11-14","2020-02-21","benzo[b][1]benzazepine-11-carboxamide","2020-02-26"],["1SC","5'-O-THIOPHOSPHONOCYTIDINE","C9 H14 N3 O7 P S","O=P(O)(S)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(S)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)S)O)O","InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1","","2006-10-19","2011-06-04","5'-O-thiophosphonocytidine",""],["N6X","N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide","C15 H14 N4 O","O=C(Nc1cncc(N)c1C)Cc1cccc(C#N)c1;Cc1c(N)cncc1NC(=O)Cc2cccc(c2)C#N;Cc1c(cncc1NC(=O)Cc2cccc(c2)C#N)N","InChI=1S/C15H14N4O/c1-10-13(17)8-18-9-14(10)19-15(20)6-11-3-2-4-12(5-11)7-16/h2-5,8-9H,6,17H2,1H3,(H,19,20)","","2023-08-16","2023-11-03","N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide","2023-11-08"],["1SD","(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol","C6 H13 N O7 S","O=S(=O)(N)C1OC(C(O)C(O)C1O)CO;N[S](=O)(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S(=O)(=O)N)O)O)O)O","InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1","(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide; (1S)-D-Galactopyranosylsulfonamide","2009-06-02","2020-07-17","(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol",""],["N6Y","3-(pyridin-3-yl)aniline","C11 H10 N2","c1cncc(c1)c2cc(N)ccc2;Nc1cccc(c1)c2cccnc2;c1cc(cc(c1)N)c2cccnc2","InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2","","2016-03-11","2016-03-18","3-(pyridin-3-yl)aniline","2016-03-23"],["1SE","N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide","C19 H14 N4 O5","O=C(Nc2ccc(NC(=O)c1ccc(O)c([N+]([O-])=O)c1)cc2)c3ncccc3;Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2;c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O","InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)","","2013-05-17","2014-10-10","N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide","2014-10-15"],["N6Z","~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide","C27 H29 F2 N5 O3","CCC(=O)N(C)CCOc1c(N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4)c2C;CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F","InChI=1S/C27H29F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H,33,36)(H2,30,31,32)","","2019-11-14","2024-09-27","~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide","2020-03-04"],["N70","4-[[2-[(4-hydroxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]phenol","C17 H16 N4 O2","Cc1cc(Nc2ccc(O)cc2)nc(Nc3ccc(O)cc3)n1;Cc1cc(nc(n1)Nc2ccc(cc2)O)Nc3ccc(cc3)O","InChI=1S/C17H16N4O2/c1-11-10-16(19-12-2-6-14(22)7-3-12)21-17(18-11)20-13-4-8-15(23)9-5-13/h2-10,22-23H,1H3,(H2,18,19,20,21)","","2021-07-17","2022-07-08","4-[[2-[(4-hydroxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]phenol","2022-07-13"],["1SF","1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione","C10 H9 N3 O4","[O-][N+](=O)c1cc(ccc1)N2C(=O)NC(=O)CC2;[O-][N+](=O)c1cccc(c1)N2CCC(=O)NC2=O;c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O","InChI=1S/C10H9N3O4/c14-9-4-5-12(10(15)11-9)7-2-1-3-8(6-7)13(16)17/h1-3,6H,4-5H2,(H,11,14,15)","","2013-05-17","2014-10-10","1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione","2014-10-15"],["1SG","N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide","C24 H19 N5 O5","O=C4C(c3cc(C(=O)Nc2ccc(NC(=O)c1ncccc1)cc2)cc(OC)c3)=CNC(=O)N4;COc1cc(cc(c1)C2=CNC(=O)NC2=O)C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3;COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O","InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)","","2013-05-17","2014-10-10","N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide","2014-10-15"],["N71","N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea","C13 H15 N3 O4 S","N(CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O;Cc1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1;Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2","InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)14-7-8-21(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)","","2019-05-03","2019-12-13","N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea","2019-12-18"],["N72","(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid","C11 H19 N O9","OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NCC(=O)C(C(C(CO)O)O)O","InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10-/m1/s1","","2019-11-14","2020-01-17","(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid","2020-01-22"],["1SH","2-(methylamino)ethyl dihydrogen phosphate","C3 H10 N O4 P","O=P(OCCNC)(O)O;CNCCO[P](O)(O)=O;CNCCOP(=O)(O)O","InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)","","2013-05-17","2013-09-20","2-(methylamino)ethyl dihydrogen phosphate","2013-09-25"],["N73","(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide","C20 H24 N2 O5 S","CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2;CC(C)C(C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2","InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1","","2014-12-19","2019-05-17","(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide","2015-04-22"],["1SI","3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide","C17 H12 F N3 O2 S","Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ccccn3)cc2;c1ccnc(c1)Sc2ccc(o2)C=NNC(=O)c3cccc(c3)F","InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+","","2021-07-06","2021-12-24","3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide","2021-12-29"],["1SJ","(3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C15 H26 N4 O4","O=C(O)C1=CC(NC(=[N@H])N)C(NC(=O)C)C(OC(CC)CC)C1;CCC(CC)O[CH]1CC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1CC(=CC(C1NC(=O)C)NC(=N)N)C(=O)O","InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1","","2013-05-21","2013-10-25","(3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","2013-10-30"],["N74","N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea","C15 H15 N5 O2","N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O;Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1;Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3","InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)","","2019-05-03","2019-12-13","N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea","2019-12-18"],["1SK","4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide","C21 H19 Cl F3 N5 O","FC(F)(F)c1cc(ccc1Cl)C(Nc1ncnc2c1cccc2C(N)=O)CN1CCC1;NC(=O)c1cccc2c(N[CH](CN3CCC3)c4ccc(Cl)c(c4)C(F)(F)F)ncnc12;c1cc2c(c(c1)C(=O)N)ncnc2NC(CN3CCC3)c4ccc(c(c4)C(F)(F)F)Cl","InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1","","2021-06-24","2022-07-01","4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide","2022-07-06"],["N75","3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid","C28 H20 Cl N O6","O=C(O)c5cc2c(oc(c2C#Cc1cccc(Cl)c1)c4ccc(OCC(=O)NC3CC3)cc4)cc5O;OC(=O)c1cc2c(oc(c3ccc(OCC(=O)NC4CC4)cc3)c2C#Cc5cccc(Cl)c5)cc1O;c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O","InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)","","2013-02-20","2013-07-19","3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid","2013-07-24"],["N76","3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE","C18 H22 N6 O3 S","O=S(=O)(N)c1cccc(c1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4;N[S](=O)(=O)c1cccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)c1;c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3","InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-4-7-13(9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,19,25,26)(H2,20,21,22,23,24)","","2003-06-26","2011-06-04","3-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide",""],["1SL","(3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C19 H30 N4 O5","O=C(O)C2=CC(n1nnc(c1)CCCO)C(NC(=O)C)C(OC(CC)CC)C2;CCC(CC)O[CH]1CC(=C[CH]([CH]1NC(C)=O)n2cc(CCCO)nn2)C(O)=O;CCC(CC)OC1CC(=CC(C1NC(=O)C)n2cc(nn2)CCCO)C(=O)O","InChI=1S/C19H30N4O5/c1-4-15(5-2)28-17-10-13(19(26)27)9-16(18(17)20-12(3)25)23-11-14(21-22-23)7-6-8-24/h9,11,15-18,24H,4-8,10H2,1-3H3,(H,20,25)(H,26,27)/t16-,17+,18+/m0/s1","","2013-05-21","2013-10-25","(3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","2013-10-30"],["N77","7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide","C15 H11 F3 N4 O3 S","FC(F)(F)c3cc1c(sc([n+]1[O-])C(=O)NCc2cccnc2)c(c3)NO;ONc1cc(cc2c1sc(C(=O)NCc3cccnc3)[n+]2[O-])C(F)(F)F;c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-]","InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-4-10(21-24)12-11(5-9)22(25)14(26-12)13(23)20-7-8-2-1-3-19-6-8/h1-6,21,24H,7H2,(H,20,23)","","2014-06-03","2024-09-27","7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide","2015-10-21"],["1SM","METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE","C15 H16 N4 O5 S","O=C(Nc1nc(cc(n1)C)C)NS(=O)(=O)c2ccccc2C(=O)OC;COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)cc(C)n2;Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C","InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)","SULFOMETURON METHYL","2004-07-01","2020-06-17","methyl 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate",""],["N78","~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide","C32 H28 N6 O5","CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23;CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O","InChI=1S/C32H28N6O5/c1-2-27(40)37-25-15-20(9-12-26(25)43-14-13-39)24-16-33-29-28(24)30(35-18-34-29)36-21-10-7-19(8-11-21)17-38-31(41)22-5-3-4-6-23(22)32(38)42/h3-12,15-16,18,39H,2,13-14,17H2,1H3,(H,37,40)(H2,33,34,35,36)","","2019-11-14","2024-09-27","~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide","2020-09-30"],["1SN","(3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C19 H30 N4 O5","O=C(O)C2=CC(n1nnc(c1)C(O)CC)C(NC(=O)C)C(OC(CC)CC)C2;CCC(CC)O[CH]1CC(=C[CH]([CH]1NC(C)=O)n2cc(nn2)[CH](O)CC)C(O)=O;CCC(CC)OC1CC(=CC(C1NC(=O)C)n2cc(nn2)C(CC)O)C(=O)O","InChI=1S/C19H30N4O5/c1-5-13(6-2)28-17-9-12(19(26)27)8-15(18(17)20-11(4)24)23-10-14(21-22-23)16(25)7-3/h8,10,13,15-18,25H,5-7,9H2,1-4H3,(H,20,24)(H,26,27)/t15-,16+,17+,18+/m0/s1","","2013-05-21","2013-10-25","(3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","2013-10-30"],["N79","[(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate","C17 H18 B N5 O8 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6ccccc56)O[CH]34;[B-]12(c3ccccc3CO1)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)(O)O","InChI=1S/C17H18BN5O8P/c19-15-12-16(21-7-20-15)23(8-22-12)17-14-13(11(29-17)6-28-32(24,25)26)30-18(31-14)10-4-2-1-3-9(10)5-27-18/h1-4,7-8,11,13-14,17H,5-6H2,(H2,19,20,21)(H2,24,25,26)/q-1/t11-,13-,14-,17-,18+/m1/s1","","2012-04-24","2019-05-06","[(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate",""],["1SO","(3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C19 H30 N4 O5","O=C(O)C2=CC(n1nnc(c1)C(O)(C)C)C(NC(=O)C)C(OC(CC)CC)C2;CCC(CC)O[CH]1CC(=C[CH]([CH]1NC(C)=O)n2cc(nn2)C(C)(C)O)C(O)=O;CCC(CC)OC1CC(=CC(C1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O","InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1","","2013-05-21","2013-10-25","(3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","2013-10-30"],["N7A","4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide","C11 H17 N3 O4 S","c1cc(S(=O)(=O)N)ccc1NC(=O)NCCCCO;N[S](=O)(=O)c1ccc(NC(=O)NCCCCO)cc1;c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N","InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-9(4-6-10)14-11(16)13-7-1-2-8-15/h3-6,15H,1-2,7-8H2,(H2,12,17,18)(H2,13,14,16)","","2019-05-06","2020-05-01","4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide","2020-05-06"],["1SP","(2S)-pentane-1,2-diol","C5 H12 O2","OCC(O)CCC;CCC[CH](O)CO;CCCC(CO)O","InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1","","2009-03-27","2011-06-04","(2S)-pentane-1,2-diol",""],["1SQ","ISOQUINOLIN-1-AMINE","C9 H8 N2","n1c(c2c(cc1)cccc2)N;Nc1nccc2ccccc12;c1ccc2c(c1)ccnc2N","InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)","1-AMINO-ISOQUINOLINE","2007-01-12","2021-03-01","isoquinolin-1-amine",""],["N7B","~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","C31 H29 N7 O3","CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23;CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6","InChI=1S/C31H29N7O3/c1-2-28(40)37-25-15-21(8-11-27(25)41-13-12-39)24-17-32-30-29(24)31(34-19-33-30)36-23-9-10-26-22(14-23)16-35-38(26)18-20-6-4-3-5-7-20/h3-11,14-17,19,39H,2,12-13,18H2,1H3,(H,37,40)(H2,32,33,34,36)","","2019-11-14","2024-09-27","~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","2020-09-30"],["N7C","~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide","C11 H11 N3 O","Cn1cnc2c(NC(=O)C=C)cccc12;Cn1cnc2c1cccc2NC(=O)C=C","InChI=1S/C11H11N3O/c1-3-10(15)13-8-5-4-6-9-11(8)12-7-14(9)2/h3-7H,1H2,2H3,(H,13,15)","","2023-01-11","2023-12-08","~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide","2023-12-13"],["1SS","(1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium","C14 H26 N","C=C(C1CCC2(C(C1)[NH+](C)CCC2)C)C;C[NH+]1CCC[C]2(C)CC[CH](C[CH]12)C(C)=C;CC(=C)C1CCC2(CCC[NH+](C2C1)C)C","InChI=1S/C14H25N/c1-11(2)12-6-8-14(3)7-5-9-15(4)13(14)10-12/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13+,14+/m0/s1","","2013-05-23","2013-08-09","(1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium","2013-08-14"],["1ST","(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[\nB,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE","C28 H24 N4 O4","O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7cc(O)ccc67)CC(NC)C8OC)C;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6C=NC(=O)c6c7c8cc(O)ccc8n2c7c35;CC12C(C(CC(O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC","InChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1","3-HYDROXYSTAUROSPORINE","2006-08-07","2020-06-17","(5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one",""],["N7D","3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide","C11 H17 N3 O4 S","OCCCCNC(Nc1cc(ccc1)S(=O)(=O)N)=O;N[S](=O)(=O)c1cccc(NC(=O)NCCCCO)c1;c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO","InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-4-9(8-10)14-11(16)13-6-1-2-7-15/h3-5,8,15H,1-2,6-7H2,(H2,12,17,18)(H2,13,14,16)","","2019-05-06","2020-05-01","3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide","2020-05-06"],["N7E","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide","C15 H31 N2 O8 P","OP(O)(=O)OCC(C(O)C(=O)NCCC(=O)NCCCCCOC)(C)C;COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCCCCOC)O","InChI=1S/C15H31N2O8P/c1-15(2,11-25-26(21,22)23)13(19)14(20)17-9-7-12(18)16-8-5-4-6-10-24-3/h13,19H,4-11H2,1-3H3,(H,16,18)(H,17,20)(H2,21,22,23)/t13-/m0/s1","","2016-04-25","2016-08-05","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide","2016-08-10"],["1SU","N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide","C27 H18 F4 N4 O3 S","FC(F)(F)c1cccc(c1)CC(=O)Nc5c(F)ccc(Oc2ccc3nc(sc3c2C#N)NC(=O)C4CC4)c5;Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc5cccc(c5)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5","InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)","","2013-05-23","2013-07-19","N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide","2013-07-24"],["1SV","(4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium","C13 H22 N","C21=[NH+]CCCC1(CCC(/C(=C)C)C2)C;CC(=C)[CH]1CC[C]2(C)CCC[NH+]=C2C1;CC(=C)C1CCC2(CCC[NH+]=C2C1)C","InChI=1S/C13H21N/c1-10(2)11-5-7-13(3)6-4-8-14-12(13)9-11/h11H,1,4-9H2,2-3H3/p+1/t11-,13+/m0/s1","","2013-05-23","2013-08-09","(4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium","2013-08-14"],["N7F","6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE","C29 H27 N7 O","N#Cc2c1N=CN(C(=O)c1n(c2N3CCCC(N)C3)Cc4ccccc4)Cc5c6ccccc6ncc5;N[CH]1CCCN(C1)c2n(Cc3ccccc3)c4C(=O)N(Cc5ccnc6ccccc56)C=Nc4c2C#N;c1ccc(cc1)Cn2c3c(c(c2N4CCCC(C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6","InChI=1S/C29H27N7O/c30-15-24-26-27(29(37)35(19-33-26)17-21-12-13-32-25-11-5-4-10-23(21)25)36(16-20-7-2-1-3-8-20)28(24)34-14-6-9-22(31)18-34/h1-5,7-8,10-13,19,22H,6,9,14,16-18,31H2/t22-/m0/s1","","2011-10-28","2014-09-05","6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile",""],["1SW","N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide","C26 H17 F4 N5 O3 S","FC(F)(F)c1cc(ccc1)NC(=O)Nc5c(F)ccc(Oc2ccc3nc(sc3c2C#N)NC(=O)C4CC4)c5;Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Nc5cccc(c5)C(F)(F)F;c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F","InChI=1S/C26H17F4N5O3S/c27-18-7-6-16(11-20(18)33-24(37)32-15-3-1-2-14(10-15)26(28,29)30)38-21-9-8-19-22(17(21)12-31)39-25(34-19)35-23(36)13-4-5-13/h1-3,6-11,13H,4-5H2,(H2,32,33,37)(H,34,35,36)","","2013-05-23","2013-07-19","N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide","2013-07-24"],["N7G","(2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide","C15 H30 N2 O4","CC(C)(C)C(O)C(NCCC(NCCCCCOC)=O)=O;COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C;CC(C)(C)C(C(=O)NCCC(=O)NCCCCCOC)O","InChI=1S/C15H30N2O4/c1-15(2,3)13(19)14(20)17-10-8-12(18)16-9-6-5-7-11-21-4/h13,19H,5-11H2,1-4H3,(H,16,18)(H,17,20)/t13-/m0/s1","","2017-09-06","2018-09-07","(2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide","2018-09-12"],["1SX","4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide","C15 H18 N4 O S","O=C(Nc1nnc2SCCn12)c3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3SCCn23;CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3","InChI=1S/C15H18N4OS/c1-15(2,3)11-6-4-10(5-7-11)12(20)16-13-17-18-14-19(13)8-9-21-14/h4-7H,8-9H2,1-3H3,(H,16,17,20)","","2013-05-24","2013-08-23","4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide","2013-08-28"],["N7H","DELTA-MESO NITROHEME","C34 H29 Fe N5 O6","[O-]C(=O)CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[N+]6=C(C([N+]([O-])=O)=C7C(C)=C(CCC([O-])=O)C8=CC1=[N+]2[Fe]6(n43)N87)C(C)=C5C=C;Cc1c2C=C3C(=C(C)C4=[N+]3[Fe]56n2c(C=C7C(=C(CCC([O-])=O)C(=[N+]57)C=C8[N]6C(=C4[N+]([O-])=O)C(=C8CCC([O-])=O)C)C)c1C=C)C=C;Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)[N+](=O)[O-])C(=C3C=C)C","InChI=1S/C34H33N5O6.Fe/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(39(44)45)33-19(6)23(10-12-31(42)43)29(38-33)15-28-22(9-11-30(40)41)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,40,41,42,43);/q;+4/p-4/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;","","2015-01-27","2026-04-05","(SP-4-2)-{3,3'-[(21S,23R)-8,13-diethenyl-3,7,12,17-tetramethyl-5-nitroporphine-21,23-diide-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato}iron","2016-03-02"],["N7I","4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol","C10 H12 O3","Oc1ccc(cc1OC)/C=C/CO;COc1cc(C=CCO)ccc1O;COc1cc(ccc1O)C=CCO","InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+","Coniferyl alcohol","2010-06-02","2021-03-01","4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol","2012-08-24"],["1SY","cGAMP","C20 H24 N10 O13 P2","O=C7N=C(N)Nc1c7ncn1C5OC6COP(=O)(O)OC4C(OC(n2c3ncnc(N)c3nc2)C4O)COP(=O)(OC5C6O)O;NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67)c2N1;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6NC(=NC7=O)N)O)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","2',3' cGAMP; c-GMP-AMP; c[G(2',5')pA(3',5')p]","2013-05-24","2020-05-26","2-amino-9-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]-3,9-dihydro-6H-purin-6-one","2013-06-12"],["N7J","(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide","C7 H7 N3 O4 S","c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N;N[S](=O)(=O)c1ccc2OC(Nc2c1)=NO;c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2","InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)","","2019-05-06","2020-05-01","(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide","2020-05-06"],["1SZ","N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide","C58 H71 N21 O10","O=C(NCCCN(C)C)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cc(cn4C)NC(=O)CCCNC(=O)c5cc(cn5C)NC(=O)c8nc(NC(=O)c7cc(NC(=O)c6nccn6C)cn7C)cn8C;CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nc(NC(=O)c7cc(NC(=O)c8nccn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C","InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-73(41)4)64-54(85)43-25-37(30-76(43)7)66-55(86)44-24-36(29-77(44)8)65-53(84)42-21-34(27-75(42)6)63-48(81)13-11-15-61-51(82)40-23-38(31-74(40)5)68-58(89)50-69-46(33-79(50)10)70-56(87)45-26-39(32-78(45)9)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,81)(H,64,85)(H,65,84)(H,66,86)(H,67,88)(H,68,89)(H,70,87)","PYRROLE-IMIDAZOLE POLYAMIDE","2013-07-08","2021-03-01","N-(5-{[4-({5-[(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}amino)-4-oxobutyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-imidazole-2-carboxamide","2013-07-17"],["1T0","4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","C27 H27 F N6 O2","Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2;Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CCC(C4=O)(C#N)C5(CC5)C","InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m1/s1","","2021-07-08","2022-08-26","4-[(3~{R})-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","2022-08-31"],["N7K","~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","C29 H25 N7 O","CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23;CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6","InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35)","","2019-11-14","2024-09-27","~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide","2020-09-30"],["1T1","stearoyl adenylate","C28 H48 N5 O8 P","CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CCCCCCCCCCCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1","5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine","2021-06-25","2022-07-01","5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine","2022-07-06"],["N7L","(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide","C11 H13 F N2 O","O=C(Nc1cnccc1C)C1CC1CF;Cc1ccncc1NC(=O)[CH]2C[CH]2CF;Cc1ccncc1NC(=O)C2CC2CF","InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1","","2023-08-16","2023-11-03","(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide","2023-11-08"],["N7M","4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide","C9 H13 N3 O4 S","c1cc(S(=O)(=O)N)ccc1NC(=O)NCCO;N[S](=O)(=O)c1ccc(NC(=O)NCCO)cc1;c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N","InChI=1S/C9H13N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,10,15,16)(H2,11,12,14)","","2019-05-06","2020-05-01","4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide","2020-05-06"],["1T2","5-chloranyl-3-[(4-methylsulfonylphenyl)carbonylamino]-1-benzofuran-2-carboxylic acid","C17 H12 Cl N O6 S","C[S](=O)(=O)c1ccc(cc1)C(=O)Nc2c(oc3ccc(Cl)cc23)C(O)=O;CS(=O)(=O)c1ccc(cc1)C(=O)Nc2c3cc(ccc3oc2C(=O)O)Cl","InChI=1S/C17H12ClNO6S/c1-26(23,24)11-5-2-9(3-6-11)16(20)19-14-12-8-10(18)4-7-13(12)25-15(14)17(21)22/h2-8H,1H3,(H,19,20)(H,21,22)","","2022-10-25","2025-10-24","5-chloranyl-3-[(4-methylsulfonylphenyl)carbonylamino]-1-benzofuran-2-carboxylic acid","2025-10-29"],["1T4","N-(pyren-1-yl)acetamide","C18 H13 N O","O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C;CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34;CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4","InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)","","2013-05-25","2024-09-27","N-(pyren-1-yl)acetamide","2014-05-21"],["N7N","(3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid","C25 H30 N4 O6","OC[CH](CC(O)=O)NC(=O)[CH]1CC[CH]2CCCC[CH](NC(=O)c3nccc4ccccc34)C(=O)N12;c1ccc2c(c1)ccnc2C(=O)NC3CCCCC4CCC(N4C3=O)C(=O)NC(CC(=O)O)CO","InChI=1S/C25H30N4O6/c30-14-16(13-21(31)32)27-23(33)20-10-9-17-6-2-4-8-19(25(35)29(17)20)28-24(34)22-18-7-3-1-5-15(18)11-12-26-22/h1,3,5,7,11-12,16-17,19-20,30H,2,4,6,8-10,13-14H2,(H,27,33)(H,28,34)(H,31,32)/t16-,17-,19-,20-/m0/s1","","2017-01-09","2018-02-23","(3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid","2018-02-28"],["1T5","3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid","C36 H37 N5 O4","O=C(O)c1cc(C(=O)N)ccc1c2cc(cc(NC(=O)CC(C)C)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)(C5)C;CC(C)CC(=O)Nc1cc(cc(c1)c2ccc(cc2C(O)=O)C(N)=O)[CH]3C[C](C)(c4ccccc4)c5cc(ccc5N3)C(N)=N;CC(C)CC(=O)Nc1cc(cc(c1)C2CC(c3cc(ccc3N2)C(=N)N)(C)c4ccccc4)c5ccc(cc5C(=O)O)C(=O)N","InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1","","2013-10-29","2014-02-07","3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid","2014-02-12"],["N7O","(S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid","C19 H15 Cl F2 N O3 P S","Fc1ccc(cc1F)C=CNC(=O)C(c2c3cc(Cl)ccc3sc2)P(=O)(O)C;C[P](O)(=O)[CH](C(=O)NC=Cc1ccc(F)c(F)c1)c2csc3ccc(Cl)cc23;CP(=O)(C(c1csc2c1cc(cc2)Cl)C(=O)NC=Cc3ccc(c(c3)F)F)O","InChI=1S/C19H15ClF2NO3PS/c1-27(25,26)18(14-10-28-17-5-3-12(20)9-13(14)17)19(24)23-7-6-11-2-4-15(21)16(22)8-11/h2-10,18H,1H3,(H,23,24)(H,25,26)/b7-6+/t18-/m0/s1","","2010-06-07","2011-06-04","(S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid",""],["1T6","5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid","C31 H28 N4 O3","O=C(O)c1cc(C(=O)N)ccc1c2cccc(c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)(C5)C;C[C]1(C[CH](Nc2ccc(cc12)C(N)=N)c3cccc(c3)c4ccc(cc4C(O)=O)C(N)=O)c5ccccc5;CC1(CC(Nc2c1cc(cc2)C(=N)N)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)c5ccccc5","InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31+/m0/s1","","2013-11-02","2014-09-05","3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoylbiphenyl-2-carboxylic acid","2014-02-12"],["N7P","1-ACETYL-L-PROLINE","C7 H11 N O3","OC(=O)C1N(C(=O)C)CCC1;CC(=O)N1CCC[CH]1C(O)=O;CC(=O)N1CCCC1C(=O)O","InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1","N-ACETYLPROLINE","2003-02-21","2024-09-27","1-acetyl-L-proline",""],["N7Q","~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide","C29 H27 Cl N6 O4","CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23;CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5","InChI=1S/C29H27ClN6O4/c1-2-26(38)36-23-13-18(6-8-25(23)39-12-11-37)21-15-32-28-27(21)29(34-17-33-28)35-19-7-9-24(22(30)14-19)40-16-20-5-3-4-10-31-20/h3-10,13-15,17,37H,2,11-12,16H2,1H3,(H,36,38)(H2,32,33,34,35)","","2019-11-14","2024-09-27","~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide","2020-09-30"],["1T7","3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid","C29 H26 N4 O2","O=C(O)c1ccccc1c2cc(cc(N)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)C5;NC(=N)c1ccc2N[CH](C[CH](c3ccccc3)c2c1)c4cc(N)cc(c4)c5ccccc5C(O)=O;c1ccc(cc1)C2CC(Nc3c2cc(cc3)C(=N)N)c4cc(cc(c4)N)c5ccccc5C(=O)O","InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1","","2013-11-04","2014-02-07","3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid","2014-02-12"],["1T8","methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate","C41 H54 N6 O6","O=C(OC)NC(C(=O)NN(Cc2ccc(c1cccnc1)cc2)CCCC4(O)C(=O)NC(C(=O)NCC=CCc3ccc(cc3)C4)C(C)C)C(C)(C)C;COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4cccnc4)C(C)(C)C;CC(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)C(C(C)(C)C)NC(=O)OC)O","InChI=1S/C41H54N6O6/c1-28(2)34-36(48)43-23-8-7-11-29-13-15-30(16-14-29)25-41(52,38(50)44-34)21-10-24-47(46-37(49)35(40(3,4)5)45-39(51)53-6)27-31-17-19-32(20-18-31)33-12-9-22-42-26-33/h7-9,12-20,22,26,28,34-35,52H,10-11,21,23-25,27H2,1-6H3,(H,43,48)(H,44,50)(H,45,51)(H,46,49)/b8-7-/t34-,35+,41+/m0/s1","","2014-02-08","2014-12-12","methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate","2014-12-17"],["N7R","N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide","C26 H27 F5 N6 O3","O=C(NC2C(=O)N(CC(F)(F)F)CC(c1cccc(F)c1F)CC2)N5CCC(N4c3cccnc3NC4=O)CC5;Fc1cccc([CH]2CC[CH](NC(=O)N3CC[CH](CC3)N4C(=O)Nc5ncccc45)C(=O)N(C2)CC(F)(F)F)c1F;c1cc(c(c(c1)F)F)C2CCC(C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O","InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1","","2010-06-11","2011-06-04","N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide",""],["N7S","4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide","C11 H17 N3 O5 S","c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O;N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1;c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O","InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17)","","2019-05-06","2020-05-01","4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide","2020-05-06"],["1T9","(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate","C26 H52 N O6 P","O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(O)=O)NC(=O)CCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCC)O","InChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1","","2013-05-28","2013-07-12","(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate","2013-07-17"],["1TA","Triamcinolone acetonide","C24 H31 F O6","C1(=O)C=CC2(C)C(=C1)CCC3C2(C(O)CC4(C)C3CC5C4(C(CO)=O)OC(C)(C)O5)F;CC1(C)O[CH]2C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[C]4(F)[CH](O)C[C]3(C)[C]2(O1)C(=O)CO;CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C","InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1","(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one","2017-01-18","2021-03-13","(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one","2017-04-26"],["N7T","(2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid","C11 H19 N O9","OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NCC(=O)C(C(C(CO)O)O)O","InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10+/m0/s1","","2019-11-14","2020-01-17","(2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid","2020-01-22"],["1TB","METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE","C15 H17 N5 O6 S","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(OC)n2)C)C;COC(=O)c1ccccc1[S](=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2;Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC","InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)","TRIBENURON METHYL","2004-07-01","2021-03-01","methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate",""],["N7U","(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid","C19 H16 N3 O3 P","O=P(O)(O)c1ccc(cc1)Nc1c(nc2ccccn12)c1ccccc1;O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1;c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O)(O)O","InChI=1S/C19H16N3O3P/c23-26(24,25)16-11-9-15(10-12-16)20-19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13,20H,(H2,23,24,25)","","2022-03-24","2023-04-07","(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid","2023-04-12"],["1TC","N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide","C25 H26 Cl N3 O5","COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4oc(C)nc4)cc3Cl;Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC","InChI=1S/C25H26ClN3O5/c1-16-27-14-22(34-16)24(31)29-18-5-8-20(21(26)13-18)23(30)28-15-25(9-11-33-12-10-25)17-3-6-19(32-2)7-4-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,30)(H,29,31)","","2015-08-24","2016-01-08","N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide","2016-01-13"],["N7V","3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide","C15 H13 N3 O6 S","c12c(ccc(c1)S(=O)(=O)N)OC(N2C(c3ccc(cc3)[N+]([O-])=O)C)=O;C[CH](N1C(=O)Oc2ccc(cc12)[S](N)(=O)=O)c3ccc(cc3)[N+]([O-])=O;CC(c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N","InChI=1S/C15H13N3O6S/c1-9(10-2-4-11(5-3-10)18(20)21)17-13-8-12(25(16,22)23)6-7-14(13)24-15(17)19/h2-9H,1H3,(H2,16,22,23)/t9-/m0/s1","","2019-05-06","2020-05-01","3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide","2020-05-06"],["N7W","~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide","C31 H32 Cl N7 O3","CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23;CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5","InChI=1S/C31H32ClN7O3/c1-4-28(40)38-25-15-20(8-10-27(25)41-14-13-39(2)3)23-17-34-30-29(23)31(36-19-35-30)37-21-9-11-26(24(32)16-21)42-18-22-7-5-6-12-33-22/h5-12,15-17,19H,4,13-14,18H2,1-3H3,(H,38,40)(H2,34,35,36,37)","","2019-11-14","2024-09-27","~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide","2020-09-30"],["1TD","3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid","C16 H11 N O3","O=C(O)c1cccc(c1)C=C3/c2ccccc2NC3=O;OC(=O)c1cccc(c1)C=C2C(=O)Nc3ccccc23;c1ccc2c(c1)C(=Cc3cccc(c3)C(=O)O)C(=O)N2","InChI=1S/C16H11NO3/c18-15-13(12-6-1-2-7-14(12)17-15)9-10-4-3-5-11(8-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+","","2013-11-22","2014-09-05","3-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]benzoic acid","2014-03-05"],["N7X","5'-O-[(R)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-O-(2-methoxyethyl)-5-methylcytidine","C13 H22 N3 O8 P S","C(COC)OC1C(OC(C1O)COP(O)(O)=S)N2C(N=C(C(C)=C2)N)=O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1N2C=C(C)C(=NC2=O)N;CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)O)O)OCCOC","InChI=1S/C13H22N3O8PS/c1-7-5-16(13(18)15-11(7)14)12-10(22-4-3-21-2)9(17)8(24-12)6-23-25(19,20)26/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,26)/t8-,9-,10-,12-/m1/s1","","2020-02-11","2021-02-05","2'-O-(2-methoxyethyl)-5-methyl-5'-O-thiophosphonocytidine","2021-02-10"],["1TE","TEBIPENEM","C16 H21 N3 O4 S2","O=C(O)C4N1C(=O)C(C(O)C)C1C(C)C4SC3CN(c2nccs2)C3;C[CH](O)[CH]1[CH]2[CH](C)[CH](SC3CN(C3)c4sccn4)[CH](N2C1=O)C(O)=O;CC1C2C(C(=O)N2C(C1SC3CN(C3)c4nccs4)C(=O)O)C(C)O","InChI=1S/C16H21N3O4S2/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)25-9-5-18(6-9)16-17-3-4-24-16/h3-4,7-13,20H,5-6H2,1-2H3,(H,22,23)/t7-,8-,10-,11-,12-,13-/m1/s1","(2S,3R,4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[1-(1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","2014-05-09","2021-03-13","(2S,3R,4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[1-(1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","2014-08-20"],["N7Y","adenosine 3',5'-bis(trihydrogen diphosphate)","C10 H17 N5 O16 P4","O(P(=O)(O)O)P(O)(OC1C(C(OC1COP(=O)(O)OP(=O)(O)O)n2cnc3c(ncnc23)N)O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(29-35(25,26)31-33(20,21)22)4(28-10)1-27-34(23,24)30-32(17,18)19/h2-4,6-7,10,16H,1H2,(H,23,24)(H,25,26)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","2019-05-06","2019-11-01","adenosine 3',5'-bis(trihydrogen diphosphate)","2019-11-06"],["1TF","palmitoyl adenylate","C26 H44 N5 O8 P","CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CCCCCCCCCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1","5'-O-[(R)-(hexadecanoyloxy)(hydroxy)phosphoryl]adenosine","2021-06-25","2022-07-01","5'-O-[(R)-(hexadecanoyloxy)(hydroxy)phosphoryl]adenosine","2022-07-06"],["1TH","4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione","C17 H16 F N3 S2","Fc1ccc(CSCCN2C(=S)NN=C2c3ccccc3)cc1;c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F","InChI=1S/C17H16FN3S2/c18-15-8-6-13(7-9-15)12-23-11-10-21-16(19-20-17(21)22)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,22)","","2021-06-14","2021-10-15","4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1~{H}-1,2,4-triazole-5-thione","2021-10-20"],["N7Z","~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide","C30 H29 Cl N6 O4","CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23;CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5","InChI=1S/C30H29ClN6O4/c1-2-27(39)37-24-14-19(7-9-26(24)40-13-5-12-38)22-16-33-29-28(22)30(35-18-34-29)36-20-8-10-25(23(31)15-20)41-17-21-6-3-4-11-32-21/h3-4,6-11,14-16,18,38H,2,5,12-13,17H2,1H3,(H,37,39)(H2,33,34,35,36)","","2019-11-14","2024-09-27","~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide","2020-09-30"],["1TI","4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","C27 H27 F N6 O2","Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2;Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CCC(C4=O)(C#N)C5(CC5)C","InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m0/s1","","2021-07-08","2022-07-01","4-[(3~{S})-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","2022-07-06"],["N80","1-ethenyl-L-proline","C7 H11 N O2","O=C(O)C1N(C=C)CCC1;OC(=O)[CH]1CCCN1C=C;C=CN1CCCC1C(=O)O","InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1","","2014-11-25","2024-09-27","1-ethenyl-L-proline","2015-03-11"],["N81","3-carboxy-2,3-dideoxy-D-erythro-pentaric acid","C6 H8 O7","OC(C(CC(O)=O)C(O)=O)C(O)=O;O[CH]([CH](CC(O)=O)C(O)=O)C(O)=O;C(C(C(C(=O)O)O)C(=O)O)C(=O)O","InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1","","2016-03-08","2016-03-11","3-carboxy-2,3-dideoxy-D-erythro-pentaric acid","2016-03-16"],["1TJ","1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione","C19 H12 O5","O=C2C4=C(C(=O)c1c(O)cccc12)C(=O)Cc3cc(cc(O)c34)C;Cc1cc(O)c2c(CC(=O)C3=C2C(=O)c4cccc(O)c4C3=O)c1;Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O","InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,20-21H,7H2,1H3","11-DEOXY-6-OXYLANDOMYCINONE","2013-05-30","2020-06-17","1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione","2013-07-31"],["1TK","4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one","C9 H15 F N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F","InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1","","2021-06-25","2023-05-19","4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one","2023-05-24"],["N82","~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide","C34 H33 N7 O4","CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23;CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O","InChI=1S/C34H33N7O4/c1-4-29(42)39-27-17-22(11-14-28(27)45-16-15-40(2)3)26-18-35-31-30(26)32(37-20-36-31)38-23-12-9-21(10-13-23)19-41-33(43)24-7-5-6-8-25(24)34(41)44/h5-14,17-18,20H,4,15-16,19H2,1-3H3,(H,39,42)(H2,35,36,37,38)","","2019-11-14","2024-09-27","~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide","2020-09-30"],["1TL","1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione","C11 H15 N2 O9 P","O=P(O)(O)OCC32OC(N1C(=O)NC(=O)C=C1)C(OC2C)C3O;C[CH]1O[CH]2[CH](O)[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)NC3=O;CC1C2(C(C(O1)C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O","InChI=1S/C11H15N2O9P/c1-5-11(4-20-23(17,18)19)8(15)7(21-5)9(22-11)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7+,8-,9+,11-/m0/s1","","2012-01-11","2012-06-15","1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione",""],["N83","~{N}-pyridin-3-ylprop-2-enamide","C8 H8 N2 O","C=CC(=O)Nc1cccnc1;C=CC(=O)Nc1cccnc1","InChI=1S/C8H8N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h2-6H,1H2,(H,10,11)","","2022-08-12","2023-09-23","~{N}-pyridin-3-ylprop-2-enamide","2022-09-28"],["N84","4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide","C13 H14 N4 O4 S","c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O;N[S](=O)(=O)c1ccc(O)c(NC(=O)NCc2ccncc2)c1;c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O","InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19)","","2019-05-06","2020-05-01","4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide","2020-05-06"],["1TM","4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol","C15 H13 N3 O2","Oc3ccc(c2c(c1ccc(O)cc1)c(nn2)N)cc3;Nc1n[nH]c(c2ccc(O)cc2)c1c3ccc(O)cc3;c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O","InChI=1S/C15H13N3O2/c16-15-13(9-1-5-11(19)6-2-9)14(17-18-15)10-3-7-12(20)8-4-10/h1-8,19-20H,(H3,16,17,18)","","2013-05-30","2013-06-28","4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol","2013-07-03"],["1TN","5-hexyl-2-(2-nitrophenoxy)phenol","C18 H21 N O4","[O-][N+](=O)c2c(Oc1ccc(cc1O)CCCCCC)cccc2;CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-]","InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3","","2014-02-10","2014-09-05","5-hexyl-2-(2-nitrophenoxy)phenol","2014-04-30"],["N85","N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","C16 H19 N3 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3cc2ccccc2n3;OC[CH]1O[CH](NC(=O)NC(=O)c2[nH]c3ccccc3c2)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C16H19N3O7/c20-6-10-11(21)12(22)13(23)15(26-10)19-16(25)18-14(24)9-5-7-3-1-2-4-8(7)17-9/h1-5,10-13,15,17,20-23H,6H2,(H2,18,19,24,25)/t10-,11-,12+,13-,15-/m1/s1","","2012-11-21","2014-09-05","N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","2013-12-11"],["N86","~{N}-quinolin-7-ylprop-2-enamide","C12 H10 N2 O","C=CC(=O)Nc1ccc2cccnc2c1;C=CC(=O)Nc1ccc2cccnc2c1","InChI=1S/C12H10N2O/c1-2-12(15)14-10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2,(H,14,15)","","2023-01-11","2024-09-27","~{N}-quinolin-7-ylprop-2-enamide","2023-12-13"],["1TP","1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-[(1S)-1-CARBOXY-1-HYDROXYETHYL]-4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-DIPHOSPHOX-1-EN-2-IUM 3-OXIDE","C15 H26 N4 O10 P2 S","O=P(O)(O)OP(=O)(O)OCCC2SC(N(Cc1cnc(nc1N)C)C2C)C(O)(C(=O)O)C;C[CH]1[CH](CCO[P](O)(=O)O[P](O)(O)=O)S[CH](N1Cc2cnc(C)nc2N)[C](C)(O)C(O)=O;Cc1ncc(c(n1)N)CN2C(C(SC2C(C)(C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C15H26N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,8,11,13,22H,4-5,7H2,1-3H3,(H,20,21)(H,26,27)(H2,16,17,18)(H2,23,24,25)/t8-,11-,13+,15+/m0/s1","","2005-10-11","2011-06-04","(2S)-2-[(2R,4S,5S)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl]-2-hydroxypropanoic acid",""],["1TQ","6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN","C12 H13 N3 O4","O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O;N[CH](Cc1c[nH]c2c(O)c(NC=O)ccc12)C(O)=O;c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NC=O","InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1","","2006-08-22","2024-09-27","6-(formylamino)-7-hydroxy-L-tryptophan",""],["N87","(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid","C20 H18 O6","O=C(O)C3(O)C=C(c2cccc(C(=O)c1ccccc1)c2)C(O)C(O)C3;O[CH]1C[C](O)(C=C([CH]1O)c2cccc(c2)C(=O)c3ccccc3)C(O)=O;c1ccc(cc1)C(=O)c2cccc(c2)C3=CC(CC(C3O)O)(C(=O)O)O","InChI=1S/C20H18O6/c21-16-11-20(26,19(24)25)10-15(18(16)23)13-7-4-8-14(9-13)17(22)12-5-2-1-3-6-12/h1-10,16,18,21,23,26H,11H2,(H,24,25)/t16-,18-,20+/m1/s1","","2010-06-03","2011-06-04","(1R,4R,5R)-3-(3-benzoylphenyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid",""],["N88","(1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid","C12 H19 N O6","O=C(O)C1(O)C=C(C(=O)NC(C)(C)C)C(O)C(O)C1;CC(C)(C)NC(=O)C1=C[C](O)(C[CH](O)[CH]1O)C(O)=O;CC(C)(C)NC(=O)C1=CC(CC(C1O)O)(C(=O)O)O","InChI=1S/C12H19NO6/c1-11(2,3)13-9(16)6-4-12(19,10(17)18)5-7(14)8(6)15/h4,7-8,14-15,19H,5H2,1-3H3,(H,13,16)(H,17,18)/t7-,8-,12+/m1/s1","","2010-06-03","2011-06-04","(1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid",""],["1TR","4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine","C20 H19 F N6","Fc4ccc(c1nc3cc(ccn3c1c2nc(ncc2)N)CN(C)C)cc4;CN(C)Cc1ccn2c(c1)nc(c3ccc(F)cc3)c2c4ccnc(N)n4;CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F","InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24)","","2014-02-14","2015-02-27","4-{7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine","2015-03-04"],["1TS","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide","C32 H34 Cl N7 O6 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C4N(C(=O)C(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC(=O)NCc3ccc(C#N)cc3)CCC4;COc1ccc(cc1Cl)[S](=O)(=O)N[CH](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[CH]3C(=O)NCc4ccc(cc4)C(N)=N;COc1ccc(cc1Cl)S(=O)(=O)NC(CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCCC3C(=O)NCc4ccc(cc4)C(=N)N","InChI=1S/C32H34ClN7O6S/c1-46-28-13-12-24(15-25(28)33)47(44,45)39-26(16-29(41)37-18-21-6-4-20(17-34)5-7-21)32(43)40-14-2-3-27(40)31(42)38-19-22-8-10-23(11-9-22)30(35)36/h4-13,15,26-27,39H,2-3,14,16,18-19H2,1H3,(H3,35,36)(H,37,41)(H,38,42)/t26-,27-/m0/s1","","2011-12-08","2012-08-24","N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","2012-08-24"],["N8A","4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide","C14 H16 N4 O4 S","c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O;N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2)c1;c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N","InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20)","","2019-05-06","2020-05-01","4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide","2020-05-06"],["1TT","(8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one","C19 H23 Cl F3 N5 O2","FC(F)(F)C3N(C2N=C(N1C(COCC1)C)CC(=O)N2CC3)Cc4cc(Cl)cnc4;C[CH]1COCCN1C2=N[CH]3N(Cc4cncc(Cl)c4)[CH](CCN3C(=O)C2)C(F)(F)F;CC1COCCN1C2=NC3N(CCC(N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2","InChI=1S/C19H23ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6,8-9,12,15,18H,2-5,7,10-11H2,1H3/t12-,15+,18+/m1/s1","","2014-02-14","2014-10-17","(8S,9aS)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-3,6,7,8,9,9a-hexahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","2014-10-22"],["N8C","1-nitrooctane","C8 H17 N O2","[O-][N+](=O)CCCCCCCC;CCCCCCCC[N+]([O-])=O;CCCCCCCC[N+](=O)[O-]","InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3","","2008-06-03","2011-06-04","1-nitrooctane",""],["N8E","3,6,9,12,15-PENTAOXATRICOSAN-1-OL","C18 H38 O6","O(CCO)CCOCCOCCOCCOCCCCCCCC;CCCCCCCCOCCOCCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCOCCO","InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3","N-OCTYLPENTAOXYETHYLENE; PENTAETHYLENE GLYCOL MONOOCTYL ETHER; OCTYLPENTAGLYCOL N-OCTYLPENTAOXYETHYLENE","2004-05-18","2020-06-17","3,6,9,12,15-pentaoxatricosan-1-ol",""],["1TU","4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol","C12 H12 F2 N2 O2","Fc1cc(cc(F)c1O)Cc2nc(n(c2O)C)C;Cn1c(C)nc(Cc2cc(F)c(O)c(F)c2)c1O;Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F","InChI=1S/C12H12F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-4,17-18H,5H2,1-2H3","","2013-05-30","2014-06-13","4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol","2014-06-18"],["N8F","(3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione","C12 H13 N O4 S","O=C1CC[CH](C[S](=O)(=O)c2ccccc2)C(=O)N1;c1ccc(cc1)S(=O)(=O)CC2CCC(=O)NC2=O","InChI=1S/C12H13NO4S/c14-11-7-6-9(12(15)13-11)8-18(16,17)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14,15)/t9-/m1/s1","","2022-08-12","2023-09-23","(3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione","2023-01-11"],["1TW","2-amino-9-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one","C11 H16 N5 O7 P Se","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C([Se]C)C3O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;C[Se]C1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O","InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7+,10-/m1/s1","","2013-06-03","2013-07-12","2-amino-9-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one","2013-07-17"],["1TX","(2S)-2-amino-7-methoxy-7-oxoheptanoic acid","C8 H15 N O4","O=C(OC)CCCCC(C(=O)O)N;COC(=O)CCCC[CH](N)C(O)=O;COC(=O)CCCCC(C(=O)O)N","InChI=1S/C8H15NO4/c1-13-7(10)5-3-2-4-6(9)8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1","","2013-06-17","2024-09-27","(2S)-2-amino-7-methoxy-7-oxoheptanoic acid","2013-12-04"],["N8G","[[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C8 H13 F N3 O12 P3 S","NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F","InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m1/s1","","2019-05-07","2019-07-19","[[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2019-07-24"],["N8I","[(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid","C26 H22 N3 O3 P","O=P(O)(O)Cc1ccc(cc1)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1;O[P](O)(=O)Cc1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5ccccc5)cc1;c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(cc4)CP(=O)(O)O)c5ccccc5","InChI=1S/C26H22N3O3P/c30-33(31,32)18-19-11-13-23(14-12-19)27-26-25(21-9-5-2-6-10-21)28-24-17-22(15-16-29(24)26)20-7-3-1-4-8-20/h1-17,27H,18H2,(H2,30,31,32)","","2022-03-24","2023-04-07","[(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid","2023-04-12"],["1TY","3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE","C17 H18 N2 O4","O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N;N[CH](CC1=CC(=NCCc2ccccc2)C(=CC1=O)O)C(O)=O;c1ccc(cc1)CCN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N","InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1","","2005-07-07","2024-09-27","3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine",""],["1TZ","(2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide","C21 H24 N4 O","O=C(N/N=C/c1c(cc(cc1C)C)C)C(N)Cc3c2ccccc2nc3;Cc1cc(C)c(C=NNC(=O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1;Cc1cc(c(c(c1)C)C=NNC(=O)C(Cc2c[nH]c3c2cccc3)N)C","InChI=1S/C21H24N4O/c1-13-8-14(2)18(15(3)9-13)12-24-25-21(26)19(22)10-16-11-23-20-7-5-4-6-17(16)20/h4-9,11-12,19,23H,10,22H2,1-3H3,(H,25,26)/b24-12+/t19-/m0/s1","(2S)-2-amino-3-(1H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methyleneamino]propanamide","2013-06-05","2021-03-13","(2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide (non-preferred name)","2014-04-02"],["N8J","(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide","C27 H26 Cl2 N2 O4 S","N2(CC1CCC1)CC(Oc3c2cc(cc3)C(NS(Cc4ccccc4)(=O)=O)=O)c5ccc(Cl)cc5Cl;Clc1ccc([CH]2CN(CC3CCC3)c4cc(ccc4O2)C(=O)N[S](=O)(=O)Cc5ccccc5)c(Cl)c1;c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(CC(O3)c4ccc(cc4Cl)Cl)CC5CCC5","InChI=1S/C27H26Cl2N2O4S/c28-21-10-11-22(23(29)14-21)26-16-31(15-18-7-4-8-18)24-13-20(9-12-25(24)35-26)27(32)30-36(33,34)17-19-5-2-1-3-6-19/h1-3,5-6,9-14,18,26H,4,7-8,15-17H2,(H,30,32)/t26-/m1/s1","","2019-05-08","2019-05-17","(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide","2019-05-22"],["1U0","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate","C15 H23 N3 O9 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)CO;Cc1ncc(Cc2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CO)c(N)n1;Cc1c(sc(c1Cc2cnc(nc2N)C)C(CO)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H23N3O9P2S/c1-8-11(5-10-6-17-9(2)18-15(10)16)14(12(20)7-19)30-13(8)3-4-26-29(24,25)27-28(21,22)23/h6,12,19-20H,3-5,7H2,1-2H3,(H,24,25)(H2,16,17,18)(H2,21,22,23)/t12-/m1/s1","","2013-06-05","2013-08-16","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate","2013-08-21"],["N8K","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide","C25 H23 F N6 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccccn4)n2c5ccccc5F;CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5","InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)/t16-,17-","","2019-11-15","2020-07-03","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide","2020-07-08"],["1U1","5-chloro-3-sulfamoylthiophene-2-carboxylic acid","C5 H4 Cl N O4 S2","O=S(=O)(c1c(sc(Cl)c1)C(=O)O)N;N[S](=O)(=O)c1cc(Cl)sc1C(O)=O;c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N","InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11)","","2013-06-05","2014-05-16","5-chloro-3-sulfamoylthiophene-2-carboxylic acid","2014-05-21"],["N8L","1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one","C16 H20 N4 O","CCC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3;CCC(=O)N1CCCC1c2c([nH]nc2c3ccncc3)C","InChI=1S/C16H20N4O/c1-3-14(21)20-10-4-5-13(20)15-11(2)18-19-16(15)12-6-8-17-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)/t13-/m0/s1","","2022-08-12","2024-09-27","1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one","2022-09-28"],["1U2","6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide","C18 H16 N4 O","O=C(Nc1ccccc1)Nc3cc2ccc(C(=[N@H])N)cc2cc3;NC(=N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1;c1ccc(cc1)NC(=O)Nc2ccc3cc(ccc3c2)C(=N)N","InChI=1S/C18H16N4O/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15/h1-11H,(H3,19,20)(H2,21,22,23)","","2012-07-01","2012-08-17","6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide",""],["N8M","5'-deoxy-5'-(dimethylamino)-8-methyladenosine","C13 H20 N6 O3","n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(C)C)N;CN(C)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23;Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)C)O)O)N","InChI=1S/C13H20N6O3/c1-6-17-8-11(14)15-5-16-12(8)19(6)13-10(21)9(20)7(22-13)4-18(2)3/h5,7,9-10,13,20-21H,4H2,1-3H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2009-04-15","2011-06-04","5'-deoxy-5'-(dimethylamino)-8-methyladenosine",""],["N8N","(2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one","C14 H11 Cl N2 O S","O=C2N(c1cc(Cl)ccc1)C(SC2)c3ncccc3;Clc1cccc(c1)N2[CH](SCC2=O)c3ccccn3;c1ccnc(c1)C2N(C(=O)CS2)c3cccc(c3)Cl","InChI=1S/C14H11ClN2OS/c15-10-4-3-5-11(8-10)17-13(18)9-19-14(17)12-6-1-2-7-16-12/h1-8,14H,9H2/t14-/m0/s1","","2015-01-29","2015-10-02","(2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one","2015-10-07"],["1U3","N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine","C13 H11 Cl N2 O4","O=C(O)CNC(=O)c2c(onc2c1c(Cl)cccc1)C;Cc1onc(c2ccccc2Cl)c1C(=O)NCC(O)=O;Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O","InChI=1S/C13H11ClN2O4/c1-7-11(13(19)15-6-10(17)18)12(16-20-7)8-4-2-3-5-9(8)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)","","2013-06-05","2014-05-16","N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine","2014-05-21"],["N8O","~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide","C12 H15 N5 O","CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12;Cc1cc2nc(cc(n2n1)N(C)C)NC(=O)C=C","InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18)","","2023-01-11","2024-09-27","~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide","2023-12-13"],["1U4","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine","C24 H32 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C;CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N[P](O)(=O)CNC(=O)OCc2ccccc2)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(Cc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O","InChI=1S/C24H32N3O7P/c1-17(2)13-21(23(29)30)26-22(28)20(14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1","","2009-01-27","2011-06-04","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine",""],["N8P","N-ACETYL-D-PROLINE","C7 H11 N O3","O=C(N1C(C(=O)O)CCC1)C;CC(=O)N1CCC[CH]1C(O)=O;CC(=O)N1CCCC1C(=O)O","InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1","","2012-06-22","2019-09-05","1-acetyl-D-proline","2013-07-10"],["1U5","(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","C10 H14 O4","O=C(O)C12OC(=O)C(CC1)(C2(C)C)C;CC1(C)[C]2(C)CC[C]1(OC2=O)C(O)=O;CC1(C2(CCC1(OC2=O)C(=O)O)C)C","InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m1/s1","","2013-06-05","2014-05-16","(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","2014-05-21"],["1U6","1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","C8 H12 N2 O2 S","S=C1N(C(=O)CC(=O)N1CC)CC;CCN1C(=O)CC(=O)N(CC)C1=S;CCN1C(=O)CC(=O)N(C1=S)CC","InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3","","2013-06-05","2014-05-16","1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","2014-05-21"],["N8Q","4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione","C12 H14 N4 O S","S=C1NN=C(N1C[CH]2CCCO2)c3cccnc3;c1cc(cnc1)C2=NNC(=S)N2CC3CCCO3","InChI=1S/C12H14N4OS/c18-12-15-14-11(9-3-1-5-13-7-9)16(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2,(H,15,18)/t10-/m0/s1","","2019-11-15","2020-08-21","4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione","2020-08-26"],["N8R","Dyclonine","C18 H27 N O2","CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1;CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2;CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2","InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3","1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one","2022-03-25","2022-06-03","1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one","2022-06-08"],["1U7","(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol","C15 H21 N O","OC2(c1ccccc1)C3C(NCC2)CCCC3;O[C]1(CCN[CH]2CCCC[CH]12)c3ccccc3;c1ccc(cc1)C2(CCNC3C2CCCC3)O","InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1","","2013-06-05","2014-05-16","(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol","2014-05-21"],["N8S","4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide","C26 H20 Cl F2 N7 O3 S","c5c(c2cc1c(ncnc1c(c2)C(Nc3c(Cl)ccc(c3F)NS(c4c(cccc4)F)(=O)=O)=O)N)c(C)nn5C;Cn1cc(c(C)n1)c2cc3c(N)ncnc3c(c2)C(=O)Nc4c(Cl)ccc(N[S](=O)(=O)c5ccccc5F)c4F;Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N","InChI=1S/C26H20ClF2N7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-18(27)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-19(21)28/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)","","2019-05-08","2021-04-16","4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide","2021-04-21"],["1U8","(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid","C14 H17 N O5","O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C;Cc1cccc(C)c1C(=O)OCC(=O)[CH](N)CC(O)=O;Cc1cccc(c1C(=O)OCC(=O)C(CC(=O)O)N)C","InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1","","2013-03-28","2024-09-27","(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid","2013-06-12"],["1U9","6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide","C21 H20 N2 O","OCCc1cccc(c1)C=Cc3cc2ccc(C(=[N@H])N)cc2cc3;NC(=N)c1ccc2cc(C=Cc3cccc(CCO)c3)ccc2c1;c1cc(cc(c1)C=Cc2ccc3cc(ccc3c2)C(=N)N)CCO","InChI=1S/C21H20N2O/c22-21(23)20-9-8-18-13-17(6-7-19(18)14-20)5-4-15-2-1-3-16(12-15)10-11-24/h1-9,12-14,24H,10-11H2,(H3,22,23)/b5-4+","","2012-07-01","2012-08-17","6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide",""],["N8T","N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE","C34 H41 N3 S","n2c1c(cccc1)c(c3c2CCCC3)NCCCCCCCCSc4c6c(nc5c4CCCC5)cccc6;C(CCCCSc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6","InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)","N-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)-8-[(1,2,3,4-TETRAHYDROACRIDIN-9-YL)THIO]-O CTAN-1-AMINE","2006-02-08","2021-03-13","N-[8-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine",""],["1UA","2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one","C15 H16 N2 O S","O=C2C3=C(N=C(SCc1ccc(cc1)C)N2)CCC3;Cc1ccc(CSC2=NC3=C(CCC3)C(=O)N2)cc1;Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2","InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)","","2013-06-05","2014-12-05","2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one","2014-12-10"],["N8U","~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide","C9 H11 N3 O2 S","CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1;CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2","InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11)","","2022-08-12","2024-09-27","~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide","2022-09-28"],["1UC","(2E)-2-amino-3-[(1E)-3-oxoprop-1-en-1-yl]but-2-enedioic acid","C7 H7 N O5","O=C(O)C(=C(/C=CC=O)C(=O)O)/N;NC(C(O)=O)=C(C=CC=O)C(O)=O;C(=CC(=C(C(=O)O)N)C(=O)O)C=O","InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1+,5-4+","","2013-06-05","2016-02-05","(2E)-2-amino-3-[(1E)-3-oxoprop-1-en-1-yl]but-2-enedioic acid","2016-02-10"],["N8V","(1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol","C15 H29 N O4","OC1C(NCCCCCCCC)C=C(C(O)C1O)CO;CCCCCCCCN[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCNC1C=C(C(C(C1O)O)O)CO","InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1","","2013-07-26","2014-04-18","(1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol","2014-04-23"],["1UD","methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-O-methyl-beta-D-ribo-hexofuranoside","C18 H24 N6 O5","O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(O)C4OC)NC)N;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](O)[CH]4OC)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCC4C(C(C(O4)OC)O)OC)N=C(NC3=O)N","InChI=1S/C18H24N6O5/c1-20-18-21-9-6-8-11(22-17(19)24-15(8)26)7(12(9)23-18)4-5-10-14(27-2)13(25)16(28-3)29-10/h6,10,13-14,16,25H,4-5H2,1-3H3,(H2,20,21,23)(H3,19,22,24,26)/t10-,13-,14-,16-/m1/s1","","2013-06-06","2014-12-19","methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-O-methyl-beta-D-ribo-hexofuranoside","2014-12-24"],["N8W","~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide","C9 H14 N2 O5","CC(=O)N[CH]1CN2[CH](COC2=O)[CH](O)[CH]1O;CC(=O)NC1CN2C(COC2=O)C(C1O)O","InChI=1S/C9H14N2O5/c1-4(12)10-5-2-11-6(3-16-9(11)15)8(14)7(5)13/h5-8,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1","","2019-11-15","2024-09-27","~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide","2020-04-08"],["1UE","2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one","C16 H12 N4 O S","O=C3c4c2c(Sc1ccccc1)cccc2nc4N=C(N)N3;NC1=Nc2[nH]c3cccc(Sc4ccccc4)c3c2C(=O)N1;c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N","InChI=1S/C16H12N4OS/c17-16-19-14-13(15(21)20-16)12-10(18-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H4,17,18,19,20,21)","","2013-06-07","2014-08-01","2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one","2014-08-06"],["N8X","2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide","C13 H16 N4 O","O=C(Nc1nncn1C)Cc1cc(C)cc(C)c1;Cn1cnnc1NC(=O)Cc2cc(C)cc(C)c2;Cc1cc(cc(c1)CC(=O)Nc2nncn2C)C","InChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18)","","2023-08-16","2023-11-03","2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide","2023-11-08"],["N8Y","6-methoxyquinazolin-4-amine","C9 H9 N3 O","COc1ccc2ncnc(N)c2c1;COc1ccc2c(c1)c(ncn2)N","InChI=1S/C9H9N3O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)","","2015-09-23","2016-09-30","6-methoxyquinazolin-4-amine","2016-10-05"],["1UF","N-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-L-glutamic acid","C19 H18 Cl N5 O6 S","O=C(O)C(NC(=O)c3ccc(Sc1c(nc2N=C(N)NC(=O)c12)C)cc3Cl)CCC(=O)O;Cc1[nH]c2N=C(N)NC(=O)c2c1Sc3ccc(c(Cl)c3)C(=O)N[CH](CCC(O)=O)C(O)=O;Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H18ClN5O6S/c1-7-14(13-15(22-7)24-19(21)25-17(13)29)32-8-2-3-9(10(20)6-8)16(28)23-11(18(30)31)4-5-12(26)27/h2-3,6,11H,4-5H2,1H3,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t11-/m0/s1","","2013-06-07","2013-08-16","N-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-L-glutamic acid","2013-08-21"],["1UG","2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one","C20 H14 N4 O S","O=C4c5c3c(Sc2c1ccccc1ccc2)cccc3nc5N=C(N)N4;NC1=Nc2[nH]c3cccc(Sc4cccc5ccccc45)c3c2C(=O)N1;c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N","InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25)","","2013-06-07","2014-08-01","2-amino-5-(naphthalen-1-ylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one","2014-08-06"],["N8Z","5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol","C9 H12 Cl N5 S","CCn1c(S)nnc1c2nn(C)c(C)c2Cl;CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl","InChI=1S/C9H12ClN5S/c1-4-15-8(11-12-9(15)16)7-6(10)5(2)14(3)13-7/h4H2,1-3H3,(H,12,16)","","2019-11-15","2020-10-09","5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol","2020-10-14"],["1UH","2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine","C23 H21 N5 O S","n1n(cc(c1)c3c2cc(oc2c(nc3)N)c5cccc4c5scc4)C6CCNCC6;Nc1ncc(c2cnn(c2)C3CCNCC3)c4cc(oc14)c5cccc6ccsc56;c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6","InChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26)","","2013-06-07","2013-06-14","2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine","2013-06-19"],["N90","1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine","C26 H28 N2","c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1;C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4;c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4","InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+","Cinnarizine","2022-03-28","2022-05-06","1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine","2022-05-11"],["N91","N-(1-METHYLBENZIMIDAZOL-5-YL)ACETAMIDE","C10 H11 N3 O","Cn1cnc2cc(NC(C)=O)ccc12;CC(=O)Nc1ccc2c(c1)ncn2C","InChI=1S/C10H11N3O/c1-7(14)12-8-3-4-10-9(5-8)11-6-13(10)2/h3-6H,1-2H3,(H,12,14)","","2016-01-06","2016-07-15","N-(1-methylbenzimidazol-5-yl)ethanamide","2016-07-20"],["1UI","4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","C28 H26 F N5 O3","COc1cncc(c1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C5CC5)C4=O)c2;Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cc(cnc3)OC)N4CCC(C4=O)(C#N)C5CC5","InChI=1S/C28H26FN5O3/c1-17-7-23(34-6-5-28(16-30,27(34)36)21-3-4-21)12-25(33-17)26(35)32-13-18-8-19(10-22(29)9-18)20-11-24(37-2)15-31-14-20/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,32,35)/t28-/m1/s1","","2021-07-08","2022-07-01","4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","2022-07-06"],["N92","4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid","C16 H11 Cl N2 O3 S","OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O;c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl","InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22)","","2019-11-18","2020-07-03","4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid","2020-07-08"],["1UJ","methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate","C11 H10 N2 O3 S","O=C(OC)c1ccc2nc(sc2c1)NC(=O)C;COC(=O)c1ccc2nc(NC(C)=O)sc2c1;CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC","InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)","","2013-06-07","2013-07-12","methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate","2013-07-17"],["N93","5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine","C16 H16 Cl3 N5","Clc1ccc2c(n1)nc(n2)N(C)CCNCc3cc(cc(c3)Cl)Cl;CN(CCNCc1cc(Cl)cc(Cl)c1)c2[nH]c3ccc(Cl)nc3n2;CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl","InChI=1S/C16H16Cl3N5/c1-24(16-21-13-2-3-14(19)22-15(13)23-16)5-4-20-9-10-6-11(17)8-12(18)7-10/h2-3,6-8,20H,4-5,9H2,1H3,(H,21,22,23)","","2016-04-04","2017-01-20","N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(3,5-dichlorophenyl)methyl]-N~1~-methylethane-1,2-diamine","2017-01-25"],["1UK","N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide","C15 H12 F3 N5 O","FC(F)(F)c3cc(c1ccc2nc(cn2c1)NC(=O)C)cnc3N;CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F;CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F","InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)","","2013-06-07","2013-07-12","N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide","2013-07-17"],["N94","4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide","C19 H18 Cl F N6 O3 S","c3(ccc(Cl)c(NC(=O)c1cccc2c1ncnc2N)c3F)NS(=O)(=O)N4CCCC4;Nc1ncnc2c1cccc2C(=O)Nc3c(Cl)ccc(N[S](=O)(=O)N4CCCC4)c3F;c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N","InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24)","","2019-05-08","2021-04-16","4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide","2021-04-21"],["1UL","1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone","C23 H21 N7 O2 S","O=C(N6CCC(n1ncc(c1)c3c2cc(oc2c(nc3)N)c4cccc5nnsc45)CC6)C;CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(N)c4oc(cc34)c5cccc6nnsc56;CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N","InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)","","2013-06-11","2013-06-28","1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone","2013-07-03"],["N95","[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid","C7 H6 B Cl N4 O2","Clc1ncnc(c1)n2ncc(c2)B(O)O;OB(O)c1cnn(c1)c2cc(Cl)ncn2;B(c1cnn(c1)c2cc(ncn2)Cl)(O)O","InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H","","2013-08-06","2024-09-27","[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid","2014-07-30"],["1UN","2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE","C32 H45 N3 O4 S","O=C(c1cccc(O)c1C)NC(CSc2ccccc2)C(O)CN4C(C(=O)NC(C)(C)C)CC3CCCCC3C4;Cc1c(O)cccc1C(=O)N[CH](CSc2ccccc2)[CH](O)CN3C[CH]4CCCC[CH]4C[CH]3C(=O)NC(C)(C)C;Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O","InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1","NELFINAVIR MESYLATE AG1343","1999-07-08","2021-03-01","(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide",""],["N96","~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide","C9 H12 N2 O2 S","CCC(=O)Nc1sc2COCCc2n1;CCC(=O)Nc1nc2c(s1)COCC2","InChI=1S/C9H12N2O2S/c1-2-8(12)11-9-10-6-3-4-13-5-7(6)14-9/h2-5H2,1H3,(H,10,11,12)","","2022-08-12","2024-09-27","~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide","2022-09-28"],["1UO","trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol","C22 H19 Cl N6 O2 S","Clc5c6c(c1cn(nc1)C2CCC(O)CC2)cnc(N)c6oc5c3cccc4nnsc34;Nc1ncc(c2cnn(c2)[CH]3CC[CH](O)CC3)c4c(Cl)c(oc14)c5cccc6nnsc56;c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl","InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-","","2013-06-11","2013-06-28","trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol","2013-07-03"],["1UP","2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide","C14 H15 N3 O3","O=C(N)COc1c2c(ccc1OC)ccc(c2)C(=[N@H])N;COc1ccc2ccc(cc2c1OCC(N)=O)C(N)=N;COc1ccc2ccc(cc2c1OCC(=O)N)C(=N)N","InChI=1S/C14H15N3O3/c1-19-11-5-4-8-2-3-9(14(16)17)6-10(8)13(11)20-7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H3,16,17)","","2012-07-13","2012-08-17","2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide",""],["N97","4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide","C25 H22 Cl F3 N6 O3 S2","c1(cc(ccc1F)F)S(Nc2c(c(c(cc2)Cl)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)F)(=O)=O;N[CH]1CC[CH](CC1)Nc2ncnc3c2scc3C(=O)Nc4c(F)c(N[S](=O)(=O)c5cc(F)ccc5F)ccc4Cl;c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F","InChI=1S/C25H22ClF3N6O3S2/c26-16-6-8-18(35-40(37,38)19-9-12(27)1-7-17(19)28)20(29)22(16)34-25(36)15-10-39-23-21(15)31-11-32-24(23)33-14-4-2-13(30)3-5-14/h1,6-11,13-14,35H,2-5,30H2,(H,34,36)(H,31,32,33)/t13-,14-","","2019-05-08","2021-04-16","4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide","2021-04-21"],["N98","methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate","C21 H15 N3 O4","COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4;COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5","InChI=1S/C21H15N3O4/c1-26-21(25)17-10-15(14-7-8-18-19(9-14)28-12-27-18)22-20-11-16(23-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3","","2019-11-18","2021-05-28","methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate","2021-06-02"],["1UQ","[(S)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid","C10 H14 N O5 P S","O=P(O)(O)C(SCC(=O)N(O)C)c1ccccc1;CN(O)C(=O)CS[CH](c1ccccc1)[P](O)(O)=O;CN(C(=O)CSC(c1ccccc1)P(=O)(O)O)O","InChI=1S/C10H14NO5PS/c1-11(13)9(12)7-18-10(17(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16)/t10-/m0/s1","","2013-06-11","2013-09-27","[(S)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid","2013-10-02"],["N99","~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide","C10 H9 N3 O","C=CC(=O)Nc1cc2ccccn2n1;C=CC(=O)Nc1cc2ccccn2n1","InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14)","","2023-01-11","2024-09-27","~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide","2023-12-13"],["1UR","4-(4-oxo-4H-chromen-2-yl)benzoic acid","C16 H10 O4","O=C(O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;OC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O","InChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)","","2013-06-12","2013-10-25","4-(4-oxo-4H-chromen-2-yl)benzoic acid","2013-10-30"],["1US","2-(2-chloranylphenoxy)-5-hexyl-phenol","C18 H21 Cl O2","Clc2ccccc2Oc1ccc(cc1O)CCCCCC;CCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl","InChI=1S/C18H21ClO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3","","2014-02-15","2014-09-05","2-(2-chlorophenoxy)-5-hexylphenol","2014-04-30"],["N9A","(3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid","C15 H21 N3 O4","C(O)(C(CC1CC(C(=O)O)NN1c2cc(CC)ccc2)N)=O;CCc1cccc(c1)N2N[CH](C[CH]2C[CH](N)C(O)=O)C(O)=O;CCc1cccc(c1)N2C(CC(N2)C(=O)O)CC(C(=O)O)N","InChI=1S/C15H21N3O4/c1-2-9-4-3-5-10(6-9)18-11(7-12(16)14(19)20)8-13(17-18)15(21)22/h3-6,11-13,17H,2,7-8,16H2,1H3,(H,19,20)(H,21,22)/t11-,12+,13-/m0/s1","","2019-05-08","2020-05-08","(3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid","2020-05-13"],["N9B","1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one","C20 H20 O5","COC1=CC=C2C(=CC1=O)C(=C)Cc3cc(OC)c(OC)c(OC)c23;COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC","InChI=1S/C20H20O5/c1-11-8-12-9-17(23-3)19(24-4)20(25-5)18(12)13-6-7-16(22-2)15(21)10-14(11)13/h6-7,9-10H,1,8H2,2-5H3","","2019-11-19","2021-11-26","1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one","2021-12-01"],["1UT","2-[4-(dimethylamino)phenyl]-4H-chromen-4-one","C17 H15 N O2","O=C1c3c(OC(=C1)c2ccc(N(C)C)cc2)cccc3;CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3","","2013-06-12","2013-10-25","2-[4-(dimethylamino)phenyl]-4H-chromen-4-one","2013-10-30"],["N9C","4,4,4-tris(fluoranyl)-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxidanylidene-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide","C22 H23 F3 N4 O4","C[CH](NC(=O)CCC(F)(F)F)C(=O)N[CH]1C(=O)N(CCO)c2ncccc2c3ccccc13;CC(C(=O)NC1c2ccccc2-c3cccnc3N(C1=O)CCO)NC(=O)CCC(F)(F)F","InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1","Crenigacestat","2023-08-22","2024-08-09","4,4,4-tris(fluoranyl)-~{N}-[(2~{S})-1-[[(7~{S})-5-(2-hydroxyethyl)-6-oxidanylidene-7~{H}-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide","2024-08-14"],["1UV","(3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid","C19 H20 F N3 O4","O=C(O)C4=CN(c3c2c(N1CCC(N)C1COC2)c(F)cc3C4=O)C5CC5;N[CH]1CCN2[CH]1COCc3c2c(F)cc4C(=O)C(=CN(C5CC5)c34)C(O)=O;c1c2c(c3c(c1F)N4CCC(C4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5","InChI=1S/C19H20FN3O4/c20-13-5-10-16(23(9-1-2-9)6-11(18(10)24)19(25)26)12-7-27-8-15-14(21)3-4-22(15)17(12)13/h5-6,9,14-15H,1-4,7-8,21H2,(H,25,26)/t14-,15-/m1/s1","","2013-06-12","2014-11-21","(3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid","2014-11-26"],["1UW","ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate","C18 H14 O4","O=C(OCC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3","","2013-06-12","2013-10-25","ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate","2013-10-30"],["N9D","(3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid","C16 H23 N3 O4","c2c(ccc(N1C(CC(C(O)=O)N)CC(C(=O)O)N1)c2)CCC;CCCc1ccc(cc1)N2N[CH](C[CH]2C[CH](N)C(O)=O)C(O)=O;CCCc1ccc(cc1)N2C(CC(N2)C(=O)O)CC(C(=O)O)N","InChI=1S/C16H23N3O4/c1-2-3-10-4-6-11(7-5-10)19-12(8-13(17)15(20)21)9-14(18-19)16(22)23/h4-7,12-14,18H,2-3,8-9,17H2,1H3,(H,20,21)(H,22,23)/t12-,13+,14+/m0/s1","","2019-05-08","2020-05-08","(3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid","2020-05-13"],["N9F","~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide","C10 H11 N3 O","CC(=O)NCc1ccc2[nH]ncc2c1;CC(=O)NCc1ccc2c(c1)cn[nH]2","InChI=1S/C10H11N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)","","2022-08-12","2023-09-23","~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide","2022-09-28"],["1UX","1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol","C22 H29 N5 O3 S2","n1c(c(sc1c2cc(OCC(O)(C)C)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCC(C)(C)O)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N","InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)","","2013-06-13","2013-09-13","1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol","2013-09-18"],["1UZ","4-(4-oxo-4H-chromen-2-yl)benzonitrile","C16 H9 N O2","N#Cc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;O=C1C=C(Oc2ccccc12)c3ccc(cc3)C#N;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N","InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H","","2013-06-13","2013-10-25","4-(4-oxo-4H-chromen-2-yl)benzonitrile","2013-10-30"],["N9G","6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide","C21 H22 N6 O2","C(N(C)C)(c1ccc(nc1)Nc4cc(N3C(C(C2CC2)(C#N)CC3)=O)ccn4)=O;CN(C)C(=O)c1ccc(Nc2cc(ccn2)N3CC[C](C#N)(C4CC4)C3=O)nc1;CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CCC(C3=O)(C#N)C4CC4","InChI=1S/C21H22N6O2/c1-26(2)19(28)14-3-6-17(24-12-14)25-18-11-16(7-9-23-18)27-10-8-21(13-22,20(27)29)15-4-5-15/h3,6-7,9,11-12,15H,4-5,8,10H2,1-2H3,(H,23,24,25)/t21-/m1/s1","","2019-05-08","2020-02-07","6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide","2020-02-12"],["N9H","(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE","C21 H24 F2 N4 O","O=C(NCC)N2N=C(c1cc(F)ccc1F)CC2(c3ccccc3)CCCN;CCNC(=O)N1N=C(C[C]1(CCCN)c2ccccc2)c3cc(F)ccc3F;CCNC(=O)N1C(CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3","InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)/t21-/m0/s1","","2006-03-06","2011-06-04","(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide",""],["1V0","2-(4-nitrophenyl)-4H-chromen-4-one","C15 H9 N O4","[O-][N+](=O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;[O-][N+](=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]","InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H","","2013-06-13","2013-10-25","2-(4-nitrophenyl)-4H-chromen-4-one","2013-10-30"],["1V1","2-(4-chlorophenyl)-4H-chromen-4-one","C15 H9 Cl O2","Clc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;Clc1ccc(cc1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl","InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H","","2013-06-13","2013-10-25","2-(4-chlorophenyl)-4H-chromen-4-one","2013-10-30"],["N9I","2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide","C17 H19 N3 O","Cc1ccncc1CC(=O)Nc1cccc2CCNCc21;Cc1ccncc1CC(=O)Nc2cccc3CCNCc23;Cc1ccncc1CC(=O)Nc2cccc3c2CNCC3","InChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21)","","2023-08-16","2023-11-03","2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide","2023-11-08"],["1V2","(2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol","C23 H25 Cl2 N3 O2 S","Clc4ccc(c1nc(sc1)Nc2ccc(cc2)CCN3C(CO)CC(O)CC3)cc4Cl;OC[CH]1C[CH](O)CCN1CCc2ccc(Nc3scc(n3)c4ccc(Cl)c(Cl)c4)cc2;c1cc(ccc1CCN2CCC(CC2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl","InChI=1S/C23H25Cl2N3O2S/c24-20-6-3-16(11-21(20)25)22-14-31-23(27-22)26-17-4-1-15(2-5-17)7-9-28-10-8-19(30)12-18(28)13-29/h1-6,11,14,18-19,29-30H,7-10,12-13H2,(H,26,27)/t18-,19+/m1/s1","","2013-06-14","2013-07-19","(2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol","2013-07-24"],["N9J","benzyl hydroxycarbamate","C8 H9 N O3","c1cccc(c1)COC(=O)NO;ONC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)NO","InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)","","2019-05-09","2019-06-07","benzyl hydroxycarbamate","2019-06-12"],["1V3","6-chloro-2-phenyl-4H-chromen-4-one","C15 H9 Cl O2","Clc2ccc1OC(=CC(=O)c1c2)c3ccccc3;Clc1ccc2OC(=CC(=O)c2c1)c3ccccc3;c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl","InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H","","2013-06-14","2013-10-25","6-chloro-2-phenyl-4H-chromen-4-one","2013-10-30"],["N9K","(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid","C10 H13 N O3","CN[CH](Cc1ccc(O)cc1)C(O)=O;CNC(Cc1ccc(cc1)O)C(=O)O","InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1","","2019-11-19","2025-12-15","(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid","2020-03-04"],["N9L","~{N}-(4-phenylpyridin-2-yl)prop-2-enamide","C14 H12 N2 O","C=CC(=O)Nc1cc(ccn1)c2ccccc2;C=CC(=O)Nc1cc(ccn1)c2ccccc2","InChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17)","","2023-01-11","2024-09-27","~{N}-(4-phenylpyridin-2-yl)prop-2-enamide","2023-12-13"],["1V4","6-fluoro-2-phenyl-4H-chromen-4-one","C15 H9 F O2","Fc2ccc1OC(=CC(=O)c1c2)c3ccccc3;Fc1ccc2OC(=CC(=O)c2c1)c3ccccc3;c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F","InChI=1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H","","2013-06-14","2013-10-25","6-fluoro-2-phenyl-4H-chromen-4-one","2013-10-30"],["N9M","benzyl (carboxyoxy)carbamate","C9 H9 N O5","c1cccc(c1)COC(=O)NOC(O)=O;OC(=O)ONC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)NOC(=O)O","InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)","","2019-05-09","2024-09-27","benzyl (carboxyoxy)carbamate","2019-06-12"],["1V5","N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide","C26 H26 F N5 O2","Fc1ccc(cc1)C6(NC(=O)c3ccc2nc(c4nccn4c2c3)NC5CCC(O)CC5)CC6;O[CH]1CC[CH](CC1)Nc2nc3ccc(cc3n4ccnc24)C(=O)NC5(CC5)c6ccc(F)cc6;c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F","InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20-","","2013-06-14","2013-08-16","N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide","2013-08-21"],["N9N","(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone","C13 H10 O5","Oc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O;c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O","InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H","","2019-11-19","2020-11-20","(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone","2020-11-25"],["1V6","4-(4-benzylphenyl)-1,3-thiazol-2-amine","C16 H14 N2 S","n3c(c1ccc(cc1)Cc2ccccc2)csc3N;Nc1scc(n1)c2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N","InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)","","2013-06-15","2014-03-07","4-(4-benzylphenyl)-1,3-thiazol-2-amine","2014-03-12"],["1V7","2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1R)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzimidazole-5-carboxamide","C37 H39 Br N4 O6","CNC(=O)c1ccc2n([CH](CNC(=O)COc3ccccc3C(C)(C)C)c4ccc(OC)c(OC)c4)c(nc2c1)c5ccc(Br)c(O)c5;CC(C)(C)c1ccccc1OCC(=O)NCC(c2ccc(c(c2)OC)OC)n3c4ccc(cc4nc3c5ccc(c(c5)O)Br)C(=O)NC","InChI=1S/C37H39BrN4O6/c1-37(2,3)25-9-7-8-10-31(25)48-21-34(44)40-20-29(22-13-16-32(46-5)33(19-22)47-6)42-28-15-12-24(36(45)39-4)17-27(28)41-35(42)23-11-14-26(38)30(43)18-23/h7-19,29,43H,20-21H2,1-6H3,(H,39,45)(H,40,44)/t29-/m0/s1","","2022-01-24","2022-04-22","2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1~{R})-2-[2-(2-~{tert}-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-~{N}-methyl-benzimidazole-5-carboxamide","2022-04-27"],["N9O","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide","C26 H31 N5 O4 S","CN(C)c1ccc2C(=O)N(CCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)C(=O)c5cccc1c25;CN(C)c1ccc2c3c1cccc3C(=O)N(C2=O)CCNC(=O)CCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C26H31N5O4S/c1-30(2)19-11-10-17-22-15(19)6-5-7-16(22)24(33)31(25(17)34)13-12-27-21(32)9-4-3-8-20-23-18(14-36-20)28-26(35)29-23/h5-7,10-11,18,20,23H,3-4,8-9,12-14H2,1-2H3,(H,27,32)(H2,28,29,35)/t18-,20-,23-/m0/s1","","2022-08-15","2023-09-23","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide","2022-08-31"],["N9P","3-pyridin-4-yl-L-alanine","C8 H10 N2 O2","NC(C(=O)O)Cc1ccncc1;N[CH](Cc1ccncc1)C(O)=O;c1cnccc1CC(C(=O)O)N","InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1","","2019-05-09","2024-09-27","3-pyridin-4-yl-L-alanine","2020-04-29"],["1V8","2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one","C16 H10 O4","O=C1c4c(OC(=C1)c3ccc2OCOc2c3)cccc4;O=C1C=C(Oc2ccccc12)c3ccc4OCOc4c3;c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4","InChI=1S/C16H10O4/c17-12-8-15(20-13-4-2-1-3-11(12)13)10-5-6-14-16(7-10)19-9-18-14/h1-8H,9H2","","2013-06-17","2013-10-25","2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one","2013-10-30"],["1V9","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide","C20 H21 N3 O2","O=C(NC(c1ccccc1)CC)CCC3=Nc2c(cccc2)C(=O)N3;CC[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3;CCC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1","","2013-06-17","2014-02-14","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide","2014-02-19"],["N9Q","4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid","C20 H20 Cl N O5","OC(=O)CCC(=O)N[CH](CC(O)=O)Cc1ccc(cc1)c2cccc(Cl)c2;c1cc(cc(c1)Cl)c2ccc(cc2)CC(CC(=O)O)NC(=O)CCC(=O)O","InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1","","2019-11-21","2020-02-07","4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid","2020-02-12"],["1VA","N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","C20 H21 N3 O3","O=C(NC(Cc1ccccc1)CO)CCC3=Nc2c(cccc2)C(=O)N3;OC[CH](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2;c1ccc(cc1)CC(CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1","","2013-06-17","2014-02-14","N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","2014-02-19"],["N9R","~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide","C16 H14 N4 O","Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13;Cn1cc(c2c1cccc2)c3cc(ncn3)NC(=O)C=C","InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21)","","2023-01-11","2024-09-27","~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide","2023-12-13"],["1VB","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide","C19 H20 N4 O4 S","O=S(=O)(N)c1ccc(cc1)C(NC(=O)CCC3=Nc2c(cccc2)C(=O)N3)C;C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccc(cc3)[S](N)(=O)=O;CC(c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1","","2013-06-17","2014-02-14","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide","2014-02-19"],["N9S","4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1","Beta-Maltose","2014-01-21","2020-07-17","4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose","2014-05-21"],["1VC","methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate","C21 H21 N3 O4","O=C(OC)C(NC(=O)CCC2=Nc1c(cccc1)C(=O)N2)Cc3ccccc3;COC(=O)[CH](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2;COC(=O)C(Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1","","2013-06-17","2014-02-14","methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate","2014-02-19"],["N9T","(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide","C25 H28 N2 O5","COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4ccccc4;COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)C3CCCC(C3)NCc4ccccc4","InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m1/s1","","2019-11-21","2020-06-05","(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide","2020-06-10"],["N9U","Roxifiban","C20 H27 N5 O6","O=C(O)C(NC(=O)OCCCC)CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(=N)N;CCCCOC(=O)N[CH](CNC(=O)C[CH]1CC(=NO1)c2ccc(cc2)C(N)=N)C(O)=O;CCCCOC(=O)NC(CNC(=O)CC1CC(=NO1)c2ccc(cc2)C(=N)N)C(=O)O","InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1","N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine","2022-03-28","2022-08-12","N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine","2022-08-17"],["1VD","N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","C22 H21 N5 O2","O=C1c4ccccc4N=C(N1)CCC(=O)NC(c2ccc(cc2)n3ccnc3)C;C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccc(cc3)n4ccnc4;CC(c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3","InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)/t15-/m0/s1","","2013-06-17","2014-02-14","N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","2014-02-19"],["N9V","5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)","C26 H40 N7 O19 P3 S","CCC(C(O)=O)C(SCCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O)O)(C)C)=O)=O)=O;CC[CH](C(O)=O)C(=O)SCCNC(=O)C=CNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCC(C(=O)O)C(=O)SCCNC(=O)C=CNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H40N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h5-6,11-14,17-19,23,35-36H,4,7-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b6-5+/t13-,14+,17+,18+,19-,23+/m0/s1","","2019-05-10","2019-06-21","5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)","2019-06-26"],["1VE","(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone","C17 H13 N5 O3","O=C(c3cccc(OCc2nc1ccccc1n2)c3)c4nonc4N;Nc1nonc1C(=O)c2cccc(OCc3[nH]c4ccccc4n3)c2;c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N","InChI=1S/C17H13N5O3/c18-17-15(21-25-22-17)16(23)10-4-3-5-11(8-10)24-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9H2,(H2,18,22)(H,19,20)","","2014-02-18","2014-09-05","(4-amino-1,2,5-oxadiazol-3-yl)[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone","2014-04-02"],["N9W","4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide","C20 H21 N3 O2","CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2C1;CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1","InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)","","2019-11-21","2020-07-10","4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide","2020-07-15"],["1VF","2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one","C21 H20 N2 O3","O=C(N1CCN(C)CC1)c4ccc(C=3Oc2ccccc2C(=O)C=3)cc4;CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3;CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3","InChI=1S/C21H20N2O3/c1-22-10-12-23(13-11-22)21(25)16-8-6-15(7-9-16)20-14-18(24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3","","2013-06-18","2013-10-25","2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one","2013-10-30"],["1VG","2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one","C16 H10 N4 O2","O=C1c4c(OC(=C1)c3ccc(c2nnnn2)cc3)cccc4;O=C1C=C(Oc2ccccc12)c3ccc(cc3)c4[nH]nnn4;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4","InChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)","","2013-06-18","2013-10-25","2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one","2013-10-30"],["N9X","Ertapenem","C22 H27 N3 O7 S","C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O)=O)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)Nc3ccc(cc3)C(=O)O","InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-12(4-6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16-,17-,19-/m1/s1","(3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid","2022-08-16","2025-12-15","(2~{S},3~{R},4~{R})-4-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2023-03-08"],["N9Y","(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide","C20 H29 N5 O4","C(N(C=O)O)C(CC1CCCC1)C(N2C(CCCN2)C(=O)Nc3ccccn3)=O;ON(C[CH](CC1CCCC1)C(=O)N2NCCC[CH]2C(=O)Nc3ccccn3)C=O;c1ccnc(c1)NC(=O)C2CCCNN2C(=O)C(CC3CCCC3)CN(C=O)O","InChI=1S/C20H29N5O4/c26-14-24(29)13-16(12-15-6-1-2-7-15)20(28)25-17(8-5-11-22-25)19(27)23-18-9-3-4-10-21-18/h3-4,9-10,14-17,22,29H,1-2,5-8,11-13H2,(H,21,23,27)/t16-,17+/m1/s1","","2019-05-10","2019-06-21","(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide","2019-06-26"],["1VI","3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide","C26 H25 F N4 O3 S","COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3[nH]c(SC)nc3c4ccc(F)cc4)c1;COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC","InChI=1S/C26H25FN4O3S/c1-33-20-9-10-21(34-2)17(14-20)6-11-23(32)29-22-15-18(12-13-28-22)25-24(30-26(31-25)35-3)16-4-7-19(27)8-5-16/h4-5,7-10,12-15H,6,11H2,1-3H3,(H,30,31)(H,28,29,32)","","2016-12-06","2017-03-28","3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide","2017-04-02"],["N9Z","2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile","C17 H18 N8","Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)cn1;CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C","InChI=1S/C17H18N8/c1-17(6-7-17)24-15-14-13(4-3-11(20-14)5-8-18)22-16(23-15)21-12-9-19-25(2)10-12/h3-4,9-10H,5-7H2,1-2H3,(H2,21,22,23,24)","","2019-11-21","2020-10-23","2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile","2020-10-28"],["1VJ","ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate","C13 H13 N3 O5","O=C(c1cccc(OCC(=O)OCC)c1)c2nonc2N;CCOC(=O)COc1cccc(c1)C(=O)c2nonc2N;CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N","InChI=1S/C13H13N3O5/c1-2-19-10(17)7-20-9-5-3-4-8(6-9)12(18)11-13(14)16-21-15-11/h3-6H,2,7H2,1H3,(H2,14,16)","","2014-02-20","2014-09-05","ethyl {3-[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy}acetate","2014-04-02"],["NA0","3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE","C22 H29 N6 O17 P3","CC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O","InChI=1S/C22H29N6O17P3/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-16(31)18(44-46(33,34)35)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39)/t12-,13-,15+,16+,17+,18+,21+,22+/m0/s1","[[(2S,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-HYDROXY-4-PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] [(2S,3S,4R,5R)-5-(3-ETHANOYLPYRIDIN-1-IUM-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL PHOSPHATE","2010-07-21","2021-03-13","[[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3S,4R,5R)-5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["1VK","(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone","C9 H7 N3 O2","O=C(c1ccccc1)c2nonc2N;Nc1nonc1C(=O)c2ccccc2;c1ccc(cc1)C(=O)c2c(non2)N","InChI=1S/C9H7N3O2/c10-9-7(11-14-12-9)8(13)6-4-2-1-3-5-6/h1-5H,(H2,10,12)","","2014-02-21","2014-09-05","(4-amino-1,2,5-oxadiazol-3-yl)(phenyl)methanone","2014-04-02"],["NA1","2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose","C9 H17 N O6","O=C(NC1C(O)C(O)C(OC1O)COC)C;COC[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COC)O)O","InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1","METHYL N-ACETYL ALLOSAMINE; 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE;\n2-acetamido-2-deoxy-6-O-methyl-alpha-D-allose; 2-acetamido-2-deoxy-6-O-methyl-D-allose;\n2-acetamido-2-deoxy-6-O-methyl-allose","2003-03-10","2020-07-17","2-(acetylamino)-2-deoxy-6-O-methyl-alpha-D-allopyranose",""],["1VL","(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one","C21 H23 N3 O4","O=C2N(c1ccccc1C2O)CN3CCN(CC3)Cc4ccc5OCOc5c4;O[CH]1C(=O)N(CN2CCN(CC2)Cc3ccc4OCOc4c3)c5ccccc15;c1ccc2c(c1)C(C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O","InChI=1S/C21H23N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20,25H,7-10,12-14H2/t20-/m0/s1","","2013-06-20","2024-09-27","(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one","2014-04-16"],["1VM","7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","C20 H17 N7 S","n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(c(c5)C)C;Cc1cc2nc(n(c3ccc4c(N)nc(N)nc4c3)c2cc1C)c5sccn5;Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N","InChI=1S/C20H17N7S/c1-10-7-15-16(8-11(10)2)27(18(24-15)19-23-5-6-28-19)12-3-4-13-14(9-12)25-20(22)26-17(13)21/h3-9H,1-2H3,(H4,21,22,25,26)","","2013-06-20","2014-02-14","7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","2014-02-19"],["NA2","SODIUM ION, 2 WATER COORDINATED","H4 Na O2","[OH2-][Na+][OH2-];[OH2-][Na+][OH2-]","InChI=1/Na.2H2O/h;2*1H2/q-1;;/rH4NaO2/c2-1-3/h2-3H2/q-1","","1999-09-15","2008-10-14","",""],["NA3","(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID","C10 H9 Br N2 O4","O=C(c1cncc(Br)c1)NC(C=O)CC(=O)O;OC(=O)C[CH](NC(=O)c1cncc(Br)c1)C=O;c1c(cncc1Br)C(=O)NC(CC(=O)O)C=O","InChI=1S/C10H9BrN2O4/c11-7-1-6(3-12-4-7)10(17)13-8(5-14)2-9(15)16/h1,3-5,8H,2H2,(H,13,17)(H,15,16)/t8-/m0/s1","","2003-11-07","2024-09-27","(3S)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid",""],["1VN","6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","C20 H16 Cl N7 S","Clc5cc1c(nc(nc1N)N)cc5n2c4c(nc2c3nccs3)cc(c(c4)C)C;Cc1cc2nc(n(c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C)c5sccn5;Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N","InChI=1S/C20H16ClN7S/c1-9-5-14-16(6-10(9)2)28(18(25-14)19-24-3-4-29-19)15-8-13-11(7-12(15)21)17(22)27-20(23)26-13/h3-8H,1-2H3,(H4,22,23,26,27)","","2013-06-20","2014-02-14","6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","2014-02-19"],["1VO","7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","C20 H17 N7 S","n5c(c1nc4c(n1c3cc2nc(nc(N)c2cc3)N)cc(c(c4)C)C)csc5;Cc1cc2nc(n(c3ccc4c(N)nc(N)nc4c3)c2cc1C)c5cscn5;Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N","InChI=1S/C20H17N7S/c1-10-5-15-17(6-11(10)2)27(19(24-15)16-8-28-9-23-16)12-3-4-13-14(7-12)25-20(22)26-18(13)21/h3-9H,1-2H3,(H4,21,22,25,26)","","2013-06-20","2014-02-14","7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","2014-02-19"],["NA4","4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID","C17 H14 N2 O6","O=C(O)CC(C=O)NC(=O)c2cncc(c1ccc(C(=O)O)cc1)c2;OC(=O)C[CH](NC(=O)c1cncc(c1)c2ccc(cc2)C(O)=O)C=O;c1cc(ccc1c2cc(cnc2)C(=O)NC(CC(=O)O)C=O)C(=O)O","InChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1","","2003-11-19","2024-09-27","4-(5-{[(1S)-2-carboxy-1-formylethyl]carbamoyl}pyridin-3-yl)benzoic acid",""],["1VP","N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine","C18 H25 N3 O5","O=C(NCC(=O)NC(C(=O)O)CCCCNC(=O)C)Cc1ccccc1;CC(=O)NCCCC[CH](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O;CC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)Cc1ccccc1","InChI=1S/C18H25N3O5/c1-13(22)19-10-6-5-9-15(18(25)26)21-17(24)12-20-16(23)11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)/t15-/m0/s1","","2013-06-21","2013-07-05","N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine","2013-07-10"],["NA5","SODIUM ION, 5 WATERS COORDINATED","H10 Na O5","[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-];[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-]","InChI=1/Na.5H2O/h;5*1H2/q-4;;;;;/rH10NaO5/c2-1(3,4,5)6/h2-6H2/q-4","","1999-07-08","2008-10-14","",""],["1VQ","2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate","C6 H10 N4 O5 S","[O-][N+](=O)c1cnc(n1CCOS(=O)(=O)N)C;Cc1ncc(n1CCO[S](N)(=O)=O)[N+]([O-])=O;Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-]","InChI=1S/C6H10N4O5S/c1-5-8-4-6(10(11)12)9(5)2-3-15-16(7,13)14/h4H,2-3H2,1H3,(H2,7,13,14)","","2013-06-21","2017-07-28","2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate","2017-08-02"],["NA6","SODIUM ION, 6 WATERS COORDINATED","H12 Na O6","[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-];[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-]","InChI=1/Na.6H2O/h;6*1H2/q-5;;;;;;/rH12NaO6/c2-1(3,4,5,6)7/h2-7H2/q-5","","1999-07-08","2008-10-14","",""],["1VR","(3R)-3-amino-4-methylpentanoic acid","C6 H13 N O2","O=C(O)CC(N)C(C)C;CC(C)[CH](N)CC(O)=O;CC(C)C(CC(=O)O)N","InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1","beta-3-homovaline","2013-06-21","2024-09-27","(3R)-3-amino-4-methylpentanoic acid","2013-09-04"],["NA7","[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C15 H24 N5 O16 P3","O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(OP(=O)(O)O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O)O)O)OP(=O)(O)O)N","InChI=1S/C15H24N5O16P3/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(35-37(24,25)26)11(23)8(34-15)3-33-39(29,30)36-38(27,28)32-2-7-10(22)6(21)1-31-7/h4-8,10-12,15,21-23H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)(H2,24,25,26)/t6-,7+,8+,10-,11+,12+,15+/m0/s1","","2006-11-15","2024-09-27","[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["NA8","(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM","C13 H14 N O2","O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2;[NH3+][CH](Cc1ccc2ccccc2c1)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)O)[NH3+]","InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/p+1/t12-/m0/s1","","2009-10-22","2024-09-27","(1S)-1-carboxy-2-naphthalen-2-ylethanaminium",""],["1VS","N-ethyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide","C25 H26 N4 O2 S","O=C(Nc2scc(c1ccccc1)c2C(=O)NCC)CNCCc4c3ccccc3nc4;CCNC(=O)c1c(NC(=O)CNCCc2c[nH]c3ccccc23)scc1c4ccccc4;CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4","InChI=1S/C25H26N4O2S/c1-2-27-24(31)23-20(17-8-4-3-5-9-17)16-32-25(23)29-22(30)15-26-13-12-18-14-28-21-11-7-6-10-19(18)21/h3-11,14,16,26,28H,2,12-13,15H2,1H3,(H,27,31)(H,29,30)","","2013-06-24","2014-06-13","N-ethyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide","2014-06-18"],["NA9","N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE","C22 H34 N6 O4","O=C(O)CNC(C(=O)N(C)C(C(=O)NCc1cnc(C(=[N@H])N)cc1)C)CC2CCCCC2;C[CH](N(C)C(=O)[CH](CC1CCCCC1)NCC(O)=O)C(=O)NCc2ccc(nc2)C(N)=N;[H]N=C(c1ccc(cn1)CNC(=O)C(C)N(C)C(=O)C(CC2CCCCC2)NCC(=O)O)N","InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1","2-((R)-1-(((S)-1-((6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLAMINO)-1-OXOPROPAN-2-YL)(METHYL)AMINO)-3-CYCLOHEXYL-1-OXOPROPAN-2-\nYLAMINO)ACETIC ACID","2006-10-27","2020-06-17","N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(6-carbamimidoylpyridin-3-yl)methyl]-N~2~-methyl-L-alaninamide",""],["1VT","N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide","C28 H27 N3 O2 S","O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CCNCc4ccccc4;O=C(CCNCc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4;c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4","InChI=1S/C28H27N3O2S/c32-25(16-17-29-18-21-10-4-1-5-11-21)31-28-26(24(20-34-28)23-14-8-3-9-15-23)27(33)30-19-22-12-6-2-7-13-22/h1-15,20,29H,16-19H2,(H,30,33)(H,31,32)","","2013-06-24","2014-12-19","N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide","2014-12-24"],["1VU","propionyl Coenzyme A","C24 H40 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC;CCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1","","2013-06-24","2013-11-29","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} propanethioate (non-preferred name)","2013-12-04"],["NAA","2-acetamido-2-deoxy-beta-D-allopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7+,8-/m1/s1","N-acetyl-beta-D-allosamine; 2-acetamido-2-deoxy-beta-D-allose; 2-acetamido-2-deoxy-D-allose;\n2-acetamido-2-deoxy-allose; N-ACETYL-D-ALLOSAMINE","1999-07-08","2020-07-17","2-(acetylamino)-2-deoxy-beta-D-allopyranose",""],["NAB","2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID","C17 H12 N2 O3","O=C(O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2;OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23;c1ccc2c(c1)c(ccc2O)N=Nc3ccccc3C(=O)O","InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+","","1999-07-08","2011-06-04","2-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzoic acid",""],["1VV","(1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","C26 H26 N2 O5","O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O;OC(=O)[CH]1CCCC[CH]1C(=O)N2CCc3ccccc3[CH]2CN4C(=O)c5ccccc5C4=O;c1ccc2c(c1)CCN(C2CN3C(=O)c4ccccc4C3=O)C(=O)C5CCCCC5C(=O)O","InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/m1/s1","","2013-06-24","2014-02-21","(1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","2014-02-19"],["NAC","3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE","C22 H28 N6 O14 P2","CC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1/f/h36H,23H2","","1999-07-08","2008-10-14","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["1VW","2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione","C26 H26 N6 O3","O=C2c1ccccc1C(=O)N2CC6c3ccccc3CCN6C(=O)C5CCCCC5c4nnnn4;O=C([CH]1CCCC[CH]1c2[nH]nnn2)N3CCc4ccccc4[CH]3CN5C(=O)c6ccccc6C5=O;c1ccc2c(c1)CCN(C2CN3C(=O)c4ccccc4C3=O)C(=O)C5CCCCC5c6[nH]nnn6","InChI=1S/C26H26N6O3/c33-24(19-10-4-3-9-18(19)23-27-29-30-28-23)31-14-13-16-7-1-2-8-17(16)22(31)15-32-25(34)20-11-5-6-12-21(20)26(32)35/h1-2,5-8,11-12,18-19,22H,3-4,9-10,13-15H2,(H,27,28,29,30)/t18-,19+,22+/m0/s1","","2013-06-24","2014-02-14","2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione","2014-02-19"],["1VX","(1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","C27 H30 N2 O4","O=C(O)C5CCCCC5C(=O)N2C(c1c(c(ccc1)C)CC2)CN4C(=O)c3ccccc3C4;Cc1cccc2[CH](CN3Cc4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O;Cc1cccc2c1CCN(C2CN3Cc4ccccc4C3=O)C(=O)C5CCCCC5C(=O)O","InChI=1S/C27H30N2O4/c1-17-7-6-12-21-19(17)13-14-29(26(31)22-10-4-5-11-23(22)27(32)33)24(21)16-28-15-18-8-2-3-9-20(18)25(28)30/h2-3,6-9,12,22-24H,4-5,10-11,13-16H2,1H3,(H,32,33)/t22-,23+,24-/m1/s1","","2013-06-24","2014-02-14","(1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","2014-02-19"],["NAD","NICOTINAMIDE-ADENINE-DINUCLEOTIDE","C21 H27 N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N","InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","1999-07-08","2024-09-27","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["NAE","NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT","C24 H31 N7 O15 P2","CC(=O)Cc1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(=O)Cc1cc[n+](cc1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C24H31N7O15P2/c1-10(32)4-11-2-3-30(5-12(11)21(26)37)23-18(35)16(33)13(44-23)6-42-47(38,39)46-48(40,41)43-7-14-17(34)19(36)24(45-14)31-9-29-15-20(25)27-8-28-22(15)31/h2-3,5,8-9,13-14,16-19,23-24,33-36H,4,6-7H2,1H3,(H5-,25,26,27,28,37,38,39,40,41)/t13-,14-,16-,17-,18-,19-,23-,24-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-(2-oxopropyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["1VY","1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol","C12 H16 N4 O7","O=C1C2=NC(=C(O)N(C2=NC(=O)N1)CC(O)C(O)C(O)CO)C;CC1=C(O)N(C[CH](O)[CH](O)[CH](O)CO)C2=NC(=O)NC(=O)C2=N1;CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)O","InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1","","2013-06-24","2013-07-12","1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol","2013-07-17"],["NAF","M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE","C11 H15 F3 N O2","FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C;C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F;C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O","InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1","","1999-07-08","2024-09-27","N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium",""],["1VZ","4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine","C21 H33 N3","N4(c1ccc(cc1)CCN2CCCC2)CCC(N3CCCC3)CC4;C1CCN(C1)CCc2ccc(cc2)N3CCC(CC3)N4CCCC4;c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4","InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2","","2013-06-24","2013-07-05","4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine","2013-07-10"],["1W0","(3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine","C16 H16 N4 O2","N1=C(OC4C1(c3cccc(c2cncnc2)c3)CCOC4)N;NC1=N[C]2(CCOC[CH]2O1)c3cccc(c3)c4cncnc4;c1cc(cc(c1)C23CCOCC2OC(=N3)N)c4cncnc4","InChI=1S/C16H16N4O2/c17-15-20-16(4-5-21-9-14(16)22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16-/m1/s1","","2013-06-25","2013-09-13","(3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine","2013-09-18"],["NAG","2-acetamido-2-deoxy-beta-D-glucopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1","N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;\n2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE","1999-07-08","2024-09-27","2-(acetylamino)-2-deoxy-beta-D-glucopyranose",""],["1W1","2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile","C18 H15 F2 N5 O","Fc1ccc(c(F)c1)C42N=C(OC2CN(c3ncccc3C#N)CC4)N;NC1=N[C]2(CCN(C[CH]2O1)c3ncccc3C#N)c4ccc(F)cc4F;c1cc(c(nc1)N2CCC3(C(C2)OC(=N3)N)c4ccc(cc4F)F)C#N","InChI=1S/C18H15F2N5O/c19-12-3-4-13(14(20)8-12)18-5-7-25(10-15(18)26-17(22)24-18)16-11(9-21)2-1-6-23-16/h1-4,6,8,15H,5,7,10H2,(H2,22,24)/t15-,18-/m1/s1","","2013-06-25","2013-09-13","2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile","2013-09-18"],["NAH","NICOTINAMIDE-ADENINE-DINUCLEOTIDE","C21 H27 N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N","InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h36H,22-23H2","","1999-07-08","2008-10-14","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["1W2","2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile","C18 H15 F2 N5 O","N#Cc4cccnc4N1CC2(N=C(OC2CC1)N)c3ccc(F)cc3F;NC1=N[C]2(CN(CC[CH]2O1)c3ncccc3C#N)c4ccc(F)cc4F;c1cc(c(nc1)N2CCC3C(C2)(N=C(O3)N)c4ccc(cc4F)F)C#N","InChI=1S/C18H15F2N5O/c19-12-3-4-13(14(20)8-12)18-10-25(7-5-15(18)26-17(22)24-18)16-11(9-21)2-1-6-23-16/h1-4,6,8,15H,5,7,10H2,(H2,22,24)/t15-,18-/m1/s1","","2013-06-25","2013-09-13","2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile","2013-09-18"],["NAI","1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE","C21 H29 N7 O14 P2","NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N","InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","NADH","1999-12-13","2024-09-27","[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["NAJ","NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)","C21 H27 N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)[nH+]cnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N","InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2001-05-17","2012-01-05","[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-1-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["1W3","7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one","C20 H18 O4","O=C2Oc1cc(O)ccc1C(=C2C=Cc3cc(c(O)c(c3)C)C)C;Cc1cc(C=CC2=C(C)c3ccc(O)cc3OC2=O)cc(C)c1O;Cc1cc(cc(c1O)C)C=CC2=C(c3ccc(cc3OC2=O)O)C","InChI=1S/C20H18O4/c1-11-8-14(9-12(2)19(11)22)4-6-17-13(3)16-7-5-15(21)10-18(16)24-20(17)23/h4-10,21-22H,1-3H3/b6-4+","(E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one","2013-06-26","2020-06-17","7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one","2013-08-28"],["NAK","AMINO-ACRYLATE","C3 H5 N O2","[O-]C(=O)C(=[NH2+])C;CC(=[NH2+])C([O-])=O;CC(=[NH2+])C(=O)[O-]","InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)","2-IMINIOPROPANOATE","2004-08-30","2024-09-27","2-iminiopropanoate",""],["1W4","S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate","C25 H24 F N O2 S","O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3;CN(C)c1cc(C=Cc2cc(C)c(O)c(C)c2)cc(c1)C(=O)Sc3ccc(F)cc3;Cc1cc(cc(c1O)C)C=Cc2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F","InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+","","2013-06-27","2024-09-27","S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate","2013-10-02"],["1W5","(1R)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","C10 H14 N3 O9 P","[N+]([O-])(c1c(nc(c(c1)C2OC(C(C2)O)COP(O)(O)=O)O)N)=O;Nc1nc(O)c(cc1[N+]([O-])=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;c1c(c(nc(c1[N+](=O)[O-])N)O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H14N3O9P/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(22-7)3-21-23(18,19)20/h1,6-8,14H,2-3H2,(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2013-06-28","2016-05-12","(1R)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","2015-05-27"],["NAL","BETA-(2-NAPHTHYL)-ALANINE","C13 H13 N O2","O=C(O)C(N)Cc2ccc1c(cccc1)c2;N[CH](Cc1ccc2ccccc2c1)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)O)N","InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)",""],["1W6","ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate","C16 H13 N3 O4 S2","O=C(OCC)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2;CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccccc3n2;CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2","InChI=1S/C16H13N3O4S2/c1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15/h3-8H,2H2,1H3,(H,18,21)(H,19,20,22)","","2013-06-28","2013-07-05","ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate","2013-07-10"],["NAM","NAM NAPTHYLAMINOALANINE","C13 H14 N2 O","O=C(N)C(N)Cc2cccc1ccccc12;N[CH](Cc1cccc2ccccc12)C(N)=O;c1ccc2c(c1)cccc2CC(C(=O)N)N","InChI=1S/C13H14N2O/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H2,15,16)/t12-/m0/s1","","1999-07-08","2011-08-06","(2S)-2-amino-3-naphthalen-1-ylpropanamide (non-preferred name)",""],["NAN","5-N-ACETYL-ALPHA-D-NEURAMINIC ACID","C11 H19 N O9","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1;CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O","InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1/f/h12,18H","","1999-07-08","2008-10-14","5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",""],["1W7","N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide","C18 H20 N2 O3 S","O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2C)Cc3ccc(cc3)C;CN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3)ccc12;Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C","InChI=1S/C18H20N2O3S/c1-13-3-5-14(6-4-13)12-24(22,23)19-16-8-9-17-15(11-16)7-10-18(21)20(17)2/h3-6,8-9,11,19H,7,10,12H2,1-2H3","","2013-06-28","2013-08-09","N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide","2013-08-14"],["1W8","Ceftaroline","C22 H21 N8 O5 S4","O=C(O)C=4N5C(=O)C(NC(=O)C(=NOCC)/c1nc(sn1)N)C5SCC=4Sc3nc(c2cc[n+](cc2)C)cs3;CCON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)Sc3scc(n3)c4cc[n+](C)cc4)c5nsc(N)n5;CCON=C(c1nc(sn1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O","InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/p+1/b27-13-/t14-,19-/m1/s1","","2012-12-13","2014-09-05","4-(2-{[(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridinium","2013-10-09"],["NAO","SODIUM ION, 1 WATER COORDINATED","H2 Na O","[OH2-][Na+];[OH2-][Na+]","InChI=1/Na.H2O/h;1H2/rH2NaO/c1-2/h2H2","","1999-07-22","2008-10-14","",""],["1W9","(2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid","C11 H15 N2 O8 P","O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CO)C(=O)O)O","InChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m1/s1","","2014-02-24","2014-12-05","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-serine","2014-12-10"],["NAP","NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE","C21 H28 N7 O17 P3","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N","InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE","1999-07-08","2020-06-17","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["NAQ","NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT","C26 H35 N7 O15 P2","CCC(=O)[CH](C)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CCC(=O)C(C)c1cc[n+](cc1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C26H35N7O15P2/c1-3-14(34)11(2)12-4-5-32(6-13(12)23(28)39)25-20(37)18(35)15(46-25)7-44-49(40,41)48-50(42,43)45-8-16-19(36)21(38)26(47-16)33-10-31-17-22(27)29-9-30-24(17)33/h4-6,9-11,15-16,18-21,25-26,35-38H,3,7-8H2,1-2H3,(H5-,27,28,29,30,39,40,41,42,43)/t11-,15+,16+,18+,19+,20+,21+,25+,26+/m0/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(2S)-3-oxopentan-2-yl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["1WA","2-amino-8-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-1H-imidazo[1,2-a][1,3,5]triazine-5,8-diium","C10 H16 N5 O7 P","O=P(O)(O)OCC3OC([n+]2c1NC(=NC(O)=[n+]1cc2)N)CC3O;Nc1[nH]c2[n+](cc[n+]2c(O)n1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1c[n+]-2c(nc([nH]c2[n+]1C3CC(C(O3)COP(=O)(O)O)O)N)O","InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H4,11,13,17,18,19,20)/p+2/t5-,6+,7+/m0/s1","","2013-06-28","2015-05-22","2-amino-8-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-1H-imidazo[1,2-a][1,3,5]triazine-5,8-diium","2015-05-27"],["NAR","NARINGENIN","C15 H12 O5","O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O;Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2;c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1","","1999-07-08","2011-06-04","(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",""],["1WB","5-methoxybenzene-1,3-dicarboxylic acid","C9 H8 O5","O=C(O)c1cc(OC)cc(C(=O)O)c1;COc1cc(cc(c1)C(O)=O)C(O)=O;COc1cc(cc(c1)C(=O)O)C(=O)O","InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)","","2013-06-28","2014-11-21","5-methoxybenzene-1,3-dicarboxylic acid","2014-11-26"],["1WC","4-(2-chlorophenyl)-5-methyl-1H-pyrazole","C10 H9 Cl N2","Clc1ccccc1c2c(nnc2)C;Cc1[nH]ncc1c2ccccc2Cl;Cc1c(cn[nH]1)c2ccccc2Cl","InChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13)","","2014-02-24","2014-03-28","4-(2-chlorophenyl)-5-methyl-1H-pyrazole","2014-04-02"],["NAS","2-NAPHTHALENESULFONIC ACID","C10 H8 O3 S","O=S(=O)(O)c2ccc1c(cccc1)c2;O[S](=O)(=O)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)S(=O)(=O)O","InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)","","1999-07-08","2011-06-04","naphthalene-2-sulfonic acid",""],["1WD","3-sulfanylpyridine-2-carboxylic acid","C6 H5 N O2 S","O=C(O)c1ncccc1S;OC(=O)c1ncccc1S;c1cc(c(nc1)C(=O)O)S","InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)","","2013-07-03","2024-09-27","3-sulfanylpyridine-2-carboxylic acid","2015-09-23"],["NAT","ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE","C14 H16 N2 O3 S","S=C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC;CCOC(=O)C1=C(C)NC(=S)N[CH]1c2cccc(O)c2;CCOC(=O)C1=C(NC(=S)NC1c2cccc(c2)O)C","InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1","MONASTROL","2003-07-21","2020-06-17","ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate",""],["1WE","(2S)-1-phenylpropan-2-amine","C9 H13 N","NC(Cc1ccccc1)C;C[CH](N)Cc1ccccc1;CC(Cc1ccccc1)N","InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1","Dextroamphetamine; D-amphetamine; Dexamphetamine; Dexedrine; Dextrostat","2013-07-05","2020-05-26","(2S)-1-phenylpropan-2-amine","2013-12-11"],["NAU","4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID","C11 H21 N O9","O=C(NC(C(O)(O)CCC(=O)O)C(O)C(O)C(O)CO)C;CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)(O)CCC(O)=O;CC(=O)NC(C(C(C(CO)O)O)O)C(CCC(=O)O)(O)O","InChI=1S/C11H21NO9/c1-5(14)12-10(9(19)8(18)6(15)4-13)11(20,21)3-2-7(16)17/h6,8-10,13,15,18-21H,2-4H2,1H3,(H,12,14)(H,16,17)/t6-,8-,9+,10+/m1/s1","","2000-07-14","2024-09-27","(5S,6R,7S,8R)-5-(acetylamino)-4,4,6,7,8,9-hexahydroxynonanoic acid (non-preferred name)",""],["NAV","6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID","C11 H19 N O8","O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)CO;CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(=O)CCC(O)=O;CC(=O)NC(C(C(C(CO)O)O)O)C(=O)CCC(=O)O","InChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1","","2000-07-17","2024-09-27","5-(acetylamino)-2,3,5-trideoxy-D-manno-non-4-ulosonic acid",""],["1WF","4-[(2S)-2-(methylamino)propyl]phenol","C10 H15 N O","Oc1ccc(cc1)CC(NC)C;CN[CH](C)Cc1ccc(O)cc1;CC(Cc1ccc(cc1)O)NC","InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1","4-Hydroxymethamphetamine","2013-07-05","2021-03-01","4-[(2S)-2-(methylamino)propyl]phenol","2013-12-11"],["1WG","2,5-dihydroxycyclohexa-2,5-diene-1,4-dione","C6 H4 O4","O=C1C(O)=CC(=O)C(O)=C1;OC1=CC(=O)C(=CC1=O)O;C1=C(C(=O)C=C(C1=O)O)O","InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H","2,5-dihydroxybenzoquinone","2013-07-08","2021-03-13","2,5-dihydroxycyclohexa-2,5-diene-1,4-dione","2013-08-28"],["NAW","SODIUM ION, 3 WATERS COORDINATED","H6 Na O3","[OH2-][Na+]([OH2-])[OH2-];[OH2-][Na+]([OH2-])[OH2-]","InChI=1/Na.3H2O/h;3*1H2/q-2;;;/rH6NaO3/c2-1(3)4/h2-4H2/q-2","","1999-07-08","2008-10-14","",""],["1WH","3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one","C18 H19 Cl2 N3 O2","Clc3ccc(c1c2C(=O)N(Cc2nc(c1CN)C)CCOC)c(Cl)c3;COCCN1Cc2nc(C)c(CN)c(c3ccc(Cl)cc3Cl)c2C1=O;Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN","InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-14(12)20)17-15(22-10)9-23(18(17)24)5-6-25-2/h3-4,7H,5-6,8-9,21H2,1-2H3","","2013-07-09","2013-08-30","3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one","2013-09-04"],["NAX","BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE","C21 H31 N7 O15 P2","NC(=O)C1=CN([CH](O)CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C(CCC5O)C(=O)N)O)O)O)O)N","InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1","","1999-07-08","2011-06-04","[[(2R,3S,4R,5R)-5-[(2S)-5-aminocarbonyl-2-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["N","ANY 5'-MONOPHOSPHATE NUCLEOTIDE","C5 H11 O7 P","O=P(OCC1OCC(O)C1O)(O)O;O[CH]1CO[CH](CO[P](O)(O)=O)[CH]1O;C1C(C(C(O1)COP(=O)(O)O)O)O","InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1","1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE","1999-07-13","2024-09-27","1,4-anhydro-5-O-phosphono-D-ribitol",""],["1WI","1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione","C25 H27 F N4 O4","CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F;CCC(CC)N1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O","InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34)","","2022-11-14","2023-11-03","1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione","2023-11-08"],["1WJ","methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-O-methyl-beta-D-ribo-hexofuranoside","C18 H24 N6 O5","O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(OC)C4O)NC)N;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](OC)[CH]4O)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCC4C(C(C(O4)OC)OC)O)N=C(NC3=O)N","InChI=1S/C18H24N6O5/c1-20-18-21-9-6-8-11(22-17(19)24-15(8)26)7(12(9)23-18)4-5-10-13(25)14(27-2)16(28-3)29-10/h6,10,13-14,16,25H,4-5H2,1-3H3,(H2,20,21,23)(H3,19,22,24,26)/t10-,13-,14-,16-/m1/s1","","2013-07-10","2014-12-19","methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-O-methyl-beta-D-ribo-hexofuranoside","2014-12-24"],["NA","SODIUM ION","Na","[Na+];[Na+];[Na+]","InChI=1S/Na/q+1","","1999-07-08","2011-06-04","sodium",""],["1WK","methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-D-ribo-hexofuranoside","C17 H22 N6 O5","O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(O)C4O)NC)N;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](O)[CH]4O)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCC4C(C(C(O4)OC)O)O)N=C(NC3=O)N","InChI=1S/C17H22N6O5/c1-19-17-20-8-5-7-10(21-16(18)23-14(7)26)6(11(8)22-17)3-4-9-12(24)13(25)15(27-2)28-9/h5,9,12-13,15,24-25H,3-4H2,1-2H3,(H2,19,20,22)(H3,18,21,23,26)/t9-,12-,13-,15-/m1/s1","","2013-07-10","2014-12-19","methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-D-ribo-hexofuranoside","2014-12-24"],["NAY","6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-OXONONANOIC ACID","C11 H19 N O8","O=C(O)C(=O)CCC(NC(=O)C)C(O)C(O)C(O)CO;CC(=O)N[CH](CCC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(CCC(=O)C(=O)O)C(C(C(CO)O)O)O","InChI=1S/C11H19NO8/c1-5(14)12-6(2-3-7(15)11(19)20)9(17)10(18)8(16)4-13/h6,8-10,13,16-18H,2-4H2,1H3,(H,12,14)(H,19,20)/t6-,8-,9-,10-/m1/s1","","2000-07-17","2011-06-04","5-(acetylamino)-3,4,5-trideoxy-D-manno-non-2-ulosonic acid",""],["NAZ","N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET\nA-ALANINAMIDE","C24 H25 N7 O3","O=C(Nc1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC(=O)N3)cc4;Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1;Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4","InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)","NAPHTYRIDINE-AZAQUINOLONE","2005-04-25","2020-06-17","3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name)",""],["1WL","Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide","C23 H19 N5 O3","O=C(NO)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)Cc3cncn3;Nc1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[CH](Cc3[nH]cnc3)C(=O)NO;c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)NC(Cc3cnc[nH]3)C(=O)NO","InChI=1S/C23H19N5O3/c24-19-11-7-17(8-12-19)4-2-1-3-16-5-9-18(10-6-16)22(29)27-21(23(30)28-31)13-20-14-25-15-26-20/h5-12,14-15,21,31H,13,24H2,(H,25,26)(H,27,29)(H,28,30)/t21-/m0/s1","","2013-07-10","2013-08-16","Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide","2013-08-21"],["NB0","4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one","C20 H18 F N3 O2","O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F;Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34;c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4ccccc4F","InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)","","2023-08-16","2023-11-03","4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one","2023-11-08"],["1WM","(betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide","C26 H21 N3 O5","O=C(NO)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)C(O)c3ccc(O)cc3;Nc1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[CH]([CH](O)c3ccc(O)cc3)C(=O)NO;c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)NC(C(c3ccc(cc3)O)O)C(=O)NO","InChI=1S/C26H21N3O5/c27-21-13-7-18(8-14-21)4-2-1-3-17-5-9-20(10-6-17)25(32)28-23(26(33)29-34)24(31)19-11-15-22(30)16-12-19/h5-16,23-24,30-31,34H,27H2,(H,28,32)(H,29,33)/t23-,24-/m0/s1","","2013-07-10","2013-08-16","(betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide","2013-08-21"],["NB1","(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL","C10 H17 N O4 S","N1=C(SC2OC(C(O)C(O)C12)CO)CCC;CCCC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CCCC1=NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C10H17NO4S/c1-2-3-6-11-7-9(14)8(13)5(4-12)15-10(7)16-6/h5,7-10,12-14H,2-4H2,1H3/t5-,7-,8-,9-,10-/m1/s1","","2006-08-31","2011-06-04","(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol",""],["1WN","(betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide","C27 H23 N3 O5","O=C(NO)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)C(O)(c3ccc(O)cc3)C;C[C](O)([CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO)c3ccc(O)cc3;CC(c1ccc(cc1)O)(C(C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O","InChI=1S/C27H23N3O5/c1-27(34,21-12-16-23(31)17-13-21)24(26(33)30-35)29-25(32)20-10-6-18(7-11-20)4-2-3-5-19-8-14-22(28)15-9-19/h6-17,24,31,34-35H,28H2,1H3,(H,29,32)(H,30,33)/t24-,27+/m1/s1","","2013-07-10","2013-08-16","(betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide","2013-08-21"],["NB2","(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C33 H56 N6 O6 S","CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C;CC(C)(C)[CH](NC(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=N)C3(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CCNC4=O)C=N)C","InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1","","2022-01-10","2024-09-27","(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-03-02"],["1WO","(5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione","C20 H26 O3","O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C;CC(C)C1=CC2=CC(=O)[CH]3C(C)(C)CCC[C]3(C)C2=C(O)C1=O;CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C","InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1","taxodione","2014-02-24","2021-03-01","(5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione","2014-07-02"],["1WP","(3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine","C18 H18 Cl N3 O","Clc1cc(cnc1)c2cccc(c2)C34N=C(OC4CCCC3)N;NC1=N[C]2(CCCC[CH]2O1)c3cccc(c3)c4cncc(Cl)c4;c1cc(cc(c1)C23CCCCC2OC(=N3)N)c4cc(cnc4)Cl","InChI=1S/C18H18ClN3O/c19-15-9-13(10-21-11-15)12-4-3-5-14(8-12)18-7-2-1-6-16(18)23-17(20)22-18/h3-5,8-11,16H,1-2,6-7H2,(H2,20,22)/t16-,18-/m1/s1","","2013-07-11","2013-09-13","(3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine","2013-09-18"],["NB3","~{N}-[(1-methylindazol-3-yl)methyl]propanamide","C12 H15 N3 O","CCC(=O)NCc1nn(C)c2ccccc12;CCC(=O)NCc1c2ccccc2n(n1)C","InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16)","N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor)","2022-08-16","2024-09-27","~{N}-[(1-methylindazol-3-yl)methyl]propanamide","2022-09-28"],["1WQ","(2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one","C21 H21 Cl N2 O2","Clc1ccc(cc1)C2=CCN(CC2)Cc4ccc3OC(C(=O)Nc3c4)C;C[CH]1Oc2ccc(CN3CCC(=CC3)c4ccc(Cl)cc4)cc2NC1=O;CC1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl","InChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-12-15(2-7-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25)/t14-/m0/s1","","2013-07-12","2013-08-02","(2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one","2013-08-07"],["NB4","(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide","C22 H36 F N7 O4","C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOCC3C4)=O)CN(CO)O;Cc1nc(NNC(=O)[CH](CC2CCCC2)CN(O)CO)c(F)c(n1)N3CCN4CCOC[CH]4C3;Cc1nc(c(c(n1)N2CCN3CCOCC3C2)F)NNC(=O)C(CC4CCCC4)CN(CO)O","InChI=1S/C22H36FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h16-18,31,33H,2-14H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1","","2019-05-10","2019-06-21","(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide","2019-06-26"],["NB5","7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine","C26 H28 F N9 O","CN1CC2(CC(C2)n3cc(Nc4nc(OC5(C)CC5)c6nc(c(F)cc6n4)c7cnc(C)nc7)cn3)C1;Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F","InChI=1S/C26H28FN9O/c1-15-28-9-16(10-29-15)21-19(27)6-20-22(33-21)23(37-25(2)4-5-25)34-24(32-20)31-17-11-30-36(12-17)18-7-26(8-18)13-35(3)14-26/h6,9-12,18H,4-5,7-8,13-14H2,1-3H3,(H,31,32,34)","","2019-11-21","2020-10-23","7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine","2020-10-28"],["1WR","(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid","C22 H25 N O2","OC(=O)[CH]1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1;c1ccc(cc1)C(=CCCN2CCCC(C2)C(=O)O)c3ccccc3","InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m0/s1","SKF89976A","2022-01-24","2022-06-24","(3~{S})-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid","2022-06-29"],["NB6","2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide","C14 H13 Br N2 O","O=C(Nc1cnccc1C)Cc1cccc(Br)c1;Cc1ccncc1NC(=O)Cc2cccc(Br)c2;Cc1ccncc1NC(=O)Cc2cccc(c2)Br","InChI=1S/C14H13BrN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)","","2023-08-16","2023-11-03","2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["1WS","N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide","C18 H20 F N7 O","Fc1cccc(c1)Nc2c4c(nn2)CCc3c(nnc34)C(=O)NCCCN;NCCCNC(=O)c1n[nH]c2c1CCc3n[nH]c(Nc4cccc(F)c4)c23;c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN","InChI=1S/C18H20FN7O/c19-10-3-1-4-11(9-10)22-17-14-13(23-26-17)6-5-12-15(14)24-25-16(12)18(27)21-8-2-7-20/h1,3-4,9H,2,5-8,20H2,(H,21,27)(H,24,25)(H2,22,23,26)","","2013-04-30","2014-09-05","N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-1,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide","2013-08-21"],["1WT","11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one","C25 H24 N5 O3","CCN1c2ncccc2N(C)C(=O)c3cc(CCOc4ccn(O)c5ccccc45)cnc13;CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C","InChI=1S/C25H24N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16,32H,3,11,14H2,1-2H3","","2013-07-12","2013-07-26","11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one","2013-07-31"],["NB7","N'-[(2-fluorophenyl)sulfonyl]benzohydrazide","C13 H11 F N2 O3 S","c1(ccccc1S(NNC(c2ccccc2)=O)(=O)=O)F;Fc1ccccc1[S](=O)(=O)NNC(=O)c2ccccc2;c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F","InChI=1S/C13H11FN2O3S/c14-11-8-4-5-9-12(11)20(18,19)16-15-13(17)10-6-2-1-3-7-10/h1-9,16H,(H,15,17)","","2019-05-10","2020-03-27","N'-[(2-fluorophenyl)sulfonyl]benzohydrazide","2020-04-01"],["1WU","6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol","C14 H13 B F N O3","Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN;NCc1ccc(Oc2ccc3COB(O)c3c2)c(F)c1;B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O","InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2","6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol","2013-07-12","2020-06-17","6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol","2013-10-02"],["NB8","5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine","C14 H20 N7 O10 P","O=C(NO)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC(=O)NO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CC(=O)NO)N)O)O)N","InChI=1S/C14H20N7O10P/c15-5(1-7(22)20-26)14(25)31-32(27,28)29-2-6-9(23)10(24)13(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,13,23-24,26H,1-2,15H2,(H,20,22)(H,27,28)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1","","2010-10-10","2011-06-04","5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["1WV","(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate","C17 H32 O4","O=C(OCC(O)CO)CCCCC/C=C/CCCCCC;CCCCCCC=CCCCCCC(=O)OC[CH](O)CO;CCCCCCC=CCCCCCC(=O)OCC(CO)O","InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/t16-/m0/s1","","2013-07-12","2013-09-20","(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate","2013-09-25"],["NB9","Lamifiban","C24 H28 N4 O6","O=C(C(Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC(OCC(=O)O)CC1;NC(=N)c1ccc(cc1)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O;c1cc(ccc1CC(C(=O)N2CCC(CC2)OCC(=O)O)NC(=O)c3ccc(cc3)C(=N)N)O","InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1","({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid","2022-03-31","2022-08-12","({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid","2022-08-17"],["NBA","3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL","C10 H25 N3 O2","OC(O)CCNCCCNCCCNC;CNCCCNCCCNCCC(O)O;CNCCCNCCCNCCC(O)O","InChI=1S/C10H25N3O2/c1-11-5-2-6-12-7-3-8-13-9-4-10(14)15/h10-15H,2-9H2,1H3","","2001-01-29","2011-06-04","3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol",""],["1WW","{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid","C16 H13 Cl I N O4","O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(I)cc2;c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I","InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)","","2013-07-16","2014-04-25","{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid","2014-04-30"],["1WX","{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","C16 H9 Br Cl F4 N O4","Fc1c(c(F)c(F)c(Br)c1F)CNC(=O)c2ccc(Cl)cc2OCC(=O)O;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)c(F)c(Br)c(F)c2F;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F","InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)","","2013-07-17","2014-04-25","{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","2014-04-30"],["NBB","N-BUTYL-BENZENESULFONAMIDE","C10 H15 N O2 S","O=S(=O)(NCCCC)c1ccccc1;CCCCN[S](=O)(=O)c1ccccc1;CCCCNS(=O)(=O)c1ccccc1","InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3","","2003-10-14","2011-06-04","N-butylbenzenesulfonamide",""],["NBC","S-4-NITROBUTYRYL-COA","C25 H41 N8 O19 P3 S","[O-][N+](=O)CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+]([O-])=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O","InChI=1S/C25H41N8O19P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-56-16(35)4-3-8-33(39)40)11-49-55(46,47)52-54(44,45)48-10-14-19(51-53(41,42)43)18(36)24(50-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t14-,18-,19-,20+,24-/m1/s1","","2002-04-30","2011-06-04","S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 4-nitrobutanethioate (non-preferred name)",""],["1WY","N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide","C22 H20 Cl N5 O2","O=C(Nc1cc(c(OC)cc1)Nc2ncc(Cl)c(n2)c4c3ccccc3nc4)CC;CCC(=O)Nc1ccc(OC)c(Nc2ncc(Cl)c(n2)c3c[nH]c4ccccc34)c1;CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC","InChI=1S/C22H20ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6-14(15)17/h4-12,24H,3H2,1-2H3,(H,26,29)(H,25,27,28)","","2013-07-18","2013-08-23","N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide","2013-08-28"],["NBD","N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE","C28 H33 N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(NCc6ccccc6)ncnc45)[CH](O)[CH]2O;c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(=O)([O-])OCC5C(C(C(O5)[n+]6cccc(c6)C(=O)N)O)O)O)O","InChI=1S/C28H33N7O14P2/c29-24(40)16-7-4-8-34(10-16)27-22(38)20(36)17(47-27)11-45-50(41,42)49-51(43,44)46-12-18-21(37)23(39)28(48-18)35-14-33-19-25(31-13-32-26(19)35)30-9-15-5-2-1-3-6-15/h1-8,10,13-14,17-18,20-23,27-28,36-39H,9,11-12H2,(H4-,29,30,31,32,40,41,42,43,44)/t17-,18-,20-,21-,22-,23-,27-,28-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["1WZ","3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid","C19 H21 N O3","O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C;CN(C)c1cc(C=Cc2cc(C)c(O)c(C)c2)cc(c1)C(O)=O;Cc1cc(cc(c1O)C)C=Cc2cc(cc(c2)N(C)C)C(=O)O","InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+","(E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid","2013-07-19","2024-09-27","3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid","2013-10-02"],["NBE","NITROSOBENZENE","C6 H5 N O","O=Nc1ccccc1;O=Nc1ccccc1;c1ccc(cc1)N=O","InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H","","1999-07-08","2011-06-04","nitrosobenzene",""],["1X0","(2S)-2-aminooct-7-enoic acid","C8 H15 N O2","O=C(O)C(N)CCCC/C=C;N[CH](CCCCC=C)C(O)=O;C=CCCCCC(C(=O)O)N","InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)/t7-/m0/s1","","2013-07-22","2013-08-02","(2S)-2-aminooct-7-enoic acid","2013-08-07"],["NBF","[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID","C14 H16 B N O4","O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O;CCOc1ccc2ccccc2c1C(=O)NCB(O)O;B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O","InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)","","2003-02-24","2024-09-27","({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid",""],["1X1","3,4-dihydroisoquinoline-2(1H)-carboxylic acid","C10 H11 N O2","O=C(O)N2Cc1c(cccc1)CC2;OC(=O)N1CCc2ccccc2C1;c1ccc2c(c1)CCN(C2)C(=O)O","InChI=1S/C10H11NO2/c12-10(13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H,12,13)","","2013-07-22","2013-08-02","3,4-dihydroisoquinoline-2(1H)-carboxylic acid","2013-08-07"],["1X2","6-isothiocyanatohexylbenzene","C13 H17 N S","S=C=N/CCCCCCc1ccccc1;S=C=NCCCCCCc1ccccc1;c1ccc(cc1)CCCCCCN=C=S","InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2","","2014-02-25","2014-09-05","(6-isothiocyanatohexyl)benzene","2014-03-05"],["NBG","N-acetyl-beta-D-glucopyranosylamine","C8 H15 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)C;CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1","1-N-ACETYL-BETA-D-GLUCOSAMINE; N-acetyl-beta-D-glucosylamine; N-acetyl-D-glucosylamine; N-acetyl-glucosylamine","1999-07-08","2024-09-27","N-acetyl-beta-D-glucopyranosylamine",""],["1X3","(2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate","C37 H51 N5 O9 S","O=S(=O)(NC(=O)C23NC(=O)C6N(C(=O)C(NC(=O)OC1CCCC1)CCCCCCCC3C2)CC(OC(=O)N5Cc4c(cccc4)CC5)C6)C7CC7;O=C(N[CH]1CCCCCCC[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)OC(=O)N4CCc5ccccc5C4)C(=O)N[S](=O)(=O)C6CC6)OC7CCCC7;c1ccc2c(c1)CCN(C2)C(=O)OC3CC4C(=O)NC5(CC5CCCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7","InChI=1S/C37H51N5O9S/c43-32-31-20-28(51-36(47)41-19-18-24-10-6-7-11-25(24)22-41)23-42(31)33(44)30(38-35(46)50-27-13-8-9-14-27)15-5-3-1-2-4-12-26-21-37(26,39-32)34(45)40-52(48,49)29-16-17-29/h6-7,10-11,26-31H,1-5,8-9,12-23H2,(H,38,46)(H,39,43)(H,40,45)/t26-,28-,30+,31+,37-/m1/s1","","2013-07-22","2013-08-02","(2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate","2013-08-07"],["NBH","N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide","C27 H32 N2 O3 S","O=S(=O)(c1ccc(cc1)CC(=O)Nc2ccc(cc2)CN(Cc3ccccc3)CCC)CC;CCCN(Cc1ccccc1)Cc2ccc(NC(=O)Cc3ccc(cc3)[S](=O)(=O)CC)cc2;CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC","InChI=1S/C27H32N2O3S/c1-3-18-29(20-23-8-6-5-7-9-23)21-24-10-14-25(15-11-24)28-27(30)19-22-12-16-26(17-13-22)33(31,32)4-2/h5-17H,3-4,18-21H2,1-2H3,(H,28,30)","","2013-11-18","2013-12-06","N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide","2013-12-11"],["1X4","2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose","C5 H11 O6 P","O=P(OCC1OC(O)CC1)(O)O;O[CH]1CC[CH](CO[P](O)(O)=O)O1;C1CC(OC1COP(=O)(O)O)O","InChI=1S/C5H11O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5-/m0/s1","2,3-dideoxyribose-5-phosphate; 2,3-dideoxy-5-O-phosphono-alpha-D-ribose; 2,3-dideoxy-5-O-phosphono-D-ribose;\n2,3-dideoxy-5-O-phosphono-ribose","2013-07-22","2020-07-17","[(2S,5S)-5-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate","2013-07-31"],["NBI","2-nitro-N-phenylbenzamide","C13 H10 N2 O3","[O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]","InChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)","","2010-02-15","2011-06-04","2-nitro-N-phenyl-benzamide",""],["1X5","2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid","C18 H19 N3 O3","CN(Cc1cccnc1)c2ccc(NC(=O)C3CC3)c(c2)C(O)=O;CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3","InChI=1S/C18H19N3O3/c1-21(11-12-3-2-8-19-10-12)14-6-7-16(15(9-14)18(23)24)20-17(22)13-4-5-13/h2-3,6-10,13H,4-5,11H2,1H3,(H,20,22)(H,23,24)","","2009-12-03","2011-06-04","2-(cyclopropylcarbonylamino)-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid",""],["NBJ","N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide","C13 H10 F I N2 O3 S","C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)=O;Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)c2;c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I","InChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18)","","2019-05-10","2020-03-27","N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide","2020-04-01"],["NBK","7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine","C25 H28 F N9 O","CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F)cc5n3)c6cnc(C)nc6)cn2;Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F","InChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33)","","2019-11-21","2020-10-23","7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine","2020-10-28"],["1X6","O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE","C6 H10 N2 O4","O=C(OCC(C(=O)O)N)C=CN;NC=CC(=O)OC[CH](N)C(O)=O;C(C(C(=O)O)N)OC(=O)C=CN","InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1","","2011-06-23","2024-09-27","O-[(2E)-3-aminoprop-2-enoyl]-L-serine",""],["NBL","N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE","C19 H26 N4 O3","N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH]2CCN(C2)C#N;CC(C)CC(C(=O)NC1CCN(C1)C#N)NC(=O)OCc2ccccc2","InChI=1S/C19H26N4O3/c1-14(2)10-17(18(24)21-16-8-9-23(11-16)13-20)22-19(25)26-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m1/s1","","2005-01-31","2024-09-27","N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-L-leucinamide",""],["1X7","4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide","C8 H6 Br N3 O S","O=C(c2c1sc(Br)cc1c(nc2)N)N;NC(=O)c1cnc(N)c2cc(Br)sc12;c1c2c(c(cnc2N)C(=O)N)sc1Br","InChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13)","","2013-07-22","2013-12-20","4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide","2013-12-25"],["1X8","4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide","C9 H8 N4 O2 S","O=C(c2c1sc(cc1c(nc2)N)C(=O)N)N;NC(=O)c1sc2c(cnc(N)c2c1)C(N)=O;c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N","InChI=1S/C9H8N4O2S/c10-7-3-1-5(9(12)15)16-6(3)4(2-13-7)8(11)14/h1-2H,(H2,10,13)(H2,11,14)(H2,12,15)","","2013-07-22","2013-12-20","4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide","2013-12-25"],["NBM","6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine","C17 H17 N5 O6 S","c1cc([N+](=O)[O-])ccc1CSc2ncnc3c2ncn3C4C(O)C(C(CO)O4)O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(SCc4ccc(cc4)[N+]([O-])=O)ncnc23;c1cc(ccc1CSc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)[N+](=O)[O-]","InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1","","2019-03-21","2019-06-28","6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine","2019-07-03"],["1X9","Cerulenin","C12 H17 N O3","O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N;CC=CCC=CCCC(=O)[CH]1O[CH]1C(N)=O;CC=CCC=CCCC(=O)C1C(O1)C(=O)N","InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1","(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide","2013-08-27","2020-06-17","(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide","2014-04-02"],["NBN","N-BUTYL ISOCYANIDE","C5 H9 N","butyl isocyanide;CCCC[N+]#[C-];CCCC[N+]#[C-]","InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3","","1999-07-08","2011-06-04","1-isocyanobutane",""],["1XA","3-methyl-4-phenyl-1,2-oxazol-5-amine","C10 H10 N2 O","n2oc(c(c1ccccc1)c2C)N;Cc1noc(N)c1c2ccccc2;Cc1c(c(on1)N)c2ccccc2","InChI=1S/C10H10N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3","","2013-07-24","2013-08-02","3-methyl-4-phenyl-1,2-oxazol-5-amine","2013-08-07"],["NBO","nabumetone","C15 H16 O2","O=C(C)CCc1ccc2c(c1)ccc(OC)c2;COc1ccc2cc(CCC(C)=O)ccc2c1;CC(=O)CCc1ccc2cc(ccc2c1)OC","InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3","4-(6-methoxynaphthalen-2-yl)butan-2-one","2011-08-11","2020-06-17","4-(6-methoxynaphthalen-2-yl)butan-2-one",""],["NBP","NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE","C21 H27 Br N7 O17 P3","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4c(Br)nc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N","InChI=1S/C21H27BrN7O17P3/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(45-47(34,35)36)13(31)10(44-20)6-42-49(39,40)46-48(37,38)41-5-9-12(30)14(32)19(43-9)28-3-1-2-8(4-28)17(24)33/h1-4,7,9-10,12-15,19-20,30-32H,5-6H2,(H7-,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1","","1999-07-08","2011-06-04","[[(2R,3R,4R,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["1XB","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide","C20 H18 Cl N3 O2 S","Clc4ccc(C2=NC(c1onc(c1c3sc(c(c23)C)C)C)CC(=O)N)cc4;Cc1sc2c3c(C)noc3[CH](CC(N)=O)N=C(c4ccc(Cl)cc4)c2c1C;Cc1c(sc-2c1C(=NC(c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C","InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1","","2013-07-24","2013-08-02","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide","2013-08-07"],["NBQ","2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE","C23 H22 N2 O6","O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3;N[CH](Cc1cc(NC(COc2ccc3ccccc3c2)=CC=O)c(O)cc1O)C(O)=O;c1ccc2cc(ccc2c1)OCC(=CC=O)Nc3cc(c(cc3O)O)CC(C(=O)O)N","InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1","","2004-03-08","2024-09-27","2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine",""],["1XC","6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium","C26 H25 F2 N3 O10 P S","Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4cn3cc[n+](c3cc4)C5OC(C(O)C5O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)[n+]2ccn3cc(ccc23)C(=O)NCc4ccc(cc4)[S](=O)(=O)c5cc(F)cc(F)c5;c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3C4C(C(C(O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F","InChI=1S/C26H24F2N3O10PS/c27-17-9-18(28)11-20(10-17)43(38,39)19-4-1-15(2-5-19)12-29-25(34)16-3-6-22-30(13-16)7-8-31(22)26-24(33)23(32)21(41-26)14-40-42(35,36)37/h1-11,13,21,23-24,26,32-33H,12,14H2,(H2-,29,34,35,36,37)/p+1/t21-,23-,24-,26-/m1/s1","","2013-07-24","2014-06-06","6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium","2014-06-11"],["1XD","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide","C21 H15 F2 N3 O3 S","Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4nccn4cc3;Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4c3)cc2;c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F","InChI=1S/C21H15F2N3O3S/c22-16-10-17(23)12-19(11-16)30(28,29)18-3-1-14(2-4-18)13-25-21(27)15-5-7-26-8-6-24-20(26)9-15/h1-12H,13H2,(H,25,27)","","2013-07-24","2014-06-06","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide","2014-06-11"],["NBR","1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine","C30 H36 N4 O2","CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C","InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2","","2016-01-13","2019-10-17","1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-~{N},~{N}-dimethyl-pyridin-1-ium-4-amine","2016-03-23"],["NBS","N6-BENZYL ADENOSINE-5'-DIPHOSPHATE","C17 H21 N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)NCc3ccccc3)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23;c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C17H21N5O10P2/c23-13-11(7-30-34(28,29)32-33(25,26)27)31-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,28,29)(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1","","2002-01-18","2011-06-04","N-benzyladenosine 5'-(trihydrogen diphosphate)",""],["1XE","[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate","C23 H34 N7 O18 P3 S","O=C(NC=CSCC(O)O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCc3oc(n2cnc1c(ncnc12)N)c(O)c3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OCc1oc(n2cnc3c(N)ncnc23)c(O)c1O[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NC=CSCC(O)O;CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NC=CSCC(O)O)O","InChI=1S/C23H34N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h5-6,10-11,14,18,32-35H,3-4,7-9H2,1-2H3,(H,25,31)(H,26,36)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/b6-5+/t18-/m0/s1","","2013-07-25","2024-09-27","[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate","2013-07-31"],["NBT","(2S)-2-NITROBUTANE","C4 H9 N O2","[O-][N+](=O)C(C)CC;CC[CH](C)[N+]([O-])=O;CCC(C)[N+](=O)[O-]","InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1","","2005-09-07","2011-06-04","(2S)-2-nitrobutane",""],["1XF","2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid","C10 H10 N2 O4 S","O=C(Nc1ccccc1C(=O)O)CSC(=O)N;NC(=O)SCC(=O)Nc1ccccc1C(O)=O;c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N","InChI=1S/C10H10N2O4S/c11-10(16)17-5-8(13)12-7-4-2-1-3-6(7)9(14)15/h1-4H,5H2,(H2,11,16)(H,12,13)(H,14,15)","","2013-07-25","2014-02-07","2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid","2014-02-12"],["NBU","N-BUTANE","C4 H10","CCCC;CCCC;CCCC","InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3","","1999-10-10","2024-09-27","butane",""],["1XG","(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide","C12 H19 N O3","O=C(CC/C=C/C/C=C/C)C(O)CC(=O)N;CC=CCC=CCCC(=O)[CH](O)CC(N)=O;CC=CCC=CCCC(=O)C(CC(=O)N)O","InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m1/s1","","2013-07-26","2024-09-27","(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide","2014-04-02"],["1XH","2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione","C21 H28 O2","O=C1C=C(C(=O)C=C1)CC3(C(CCC2(C(=C)/CCCC23)C)C)C;C[CH]1CC[C]2(C)[CH](CCCC2=C)[C]1(C)CC3=CC(=O)C=CC3=O;CC1CCC2(C(C1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C","InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m1/s1","Arenarone","2014-02-26","2020-06-17","2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione","2014-07-02"],["NBV","(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL","C10 H21 N O4","OCC1N(CCCC)CC(O)C(O)C1O;CCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO;CCCCN1CC(C(C(C1CO)O)O)O","InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1","","2007-06-18","2011-06-04","(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["1XI","~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide","C16 H21 N3 O3 S","CC(=O)N[CH]1CN2[CH](CSC2=NCc3ccccc3)[CH](O)[CH]1O;CC(=O)NC1CN2C(CSC2=NCc3ccccc3)C(C1O)O","InChI=1S/C16H21N3O3S/c1-10(20)18-12-8-19-13(15(22)14(12)21)9-23-16(19)17-7-11-5-3-2-4-6-11/h2-6,12-15,21-22H,7-9H2,1H3,(H,18,20)/b17-16-/t12-,13+,14+,15+/m0/s1","","2021-06-15","2022-04-08","~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide","2022-04-13"],["NBW","~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide","C23 H30 N8 O2","CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2;CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C","InChI=1S/C23H30N8O2/c1-23(9-10-23)33-20-19-17(5-6-18(26-19)21(32)29(2)3)27-22(28-20)25-15-13-24-31(14-15)16-7-11-30(4)12-8-16/h5-6,13-14,16H,7-12H2,1-4H3,(H,25,27,28)","","2019-11-22","2020-10-23","~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide","2020-10-28"],["1XJ","4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide","C47 H55 Cl F3 N5 O6 S3","Clc1ccc(cc1)C2=C(CC(C)(C)CC2)CN7CCN(c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)NC(CCN5CCOCC5)CSc6ccccc6)CC7;CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)N[S](=O)(=O)c4ccc(N[CH](CCN5CCOCC5)CSc6ccccc6)c(c4)[S](=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7;CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)NC(CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C","InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1","","2013-07-29","2013-08-09","4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide","2013-08-14"],["NBX","N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine","C14 H19 N3 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc2;Nc1ccc(cc1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)N","InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1","N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine; N-{[(4-aminophenyl)carbonyl]carbamoyl}-D-glucosylamine;\nN-{[(4-aminophenyl)carbonyl]carbamoyl}-glucosylamine","2008-02-13","2020-07-17","N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine",""],["NBY","N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine","C14 H17 N3 O9","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc([N+]([O-])=O)cc2;OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]","InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1","N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine; N-{[(4-nitrophenyl)carbonyl]carbamoyl}-D-glucosylamine;\nN-{[(4-nitrophenyl)carbonyl]carbamoyl}-glucosylamine","2008-02-13","2020-07-17","N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine",""],["1XK","4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","C26 H28 F N5 O3","Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](CO)(C5CC5)C4=O)c2;Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CCC(C4=O)(CO)C5CC5","InChI=1S/C26H28FN5O3/c1-16-7-22(32-6-5-26(15-33,25(32)35)20-3-4-20)11-23(30-16)24(34)28-12-17-8-18(10-21(27)9-17)19-13-29-31(2)14-19/h7-11,13-14,20,33H,3-6,12,15H2,1-2H3,(H,28,34)/t26-/m1/s1","","2021-07-08","2022-09-02","4-[(3~{S})-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide","2022-09-07"],["NBZ","NITROBENZENE","C6 H5 N O2","[O-][N+](=O)c1ccccc1;[O-][N+](=O)c1ccccc1;c1ccc(cc1)[N+](=O)[O-]","InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H","","1999-07-08","2011-06-04","nitrobenzene",""],["1XL","1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol","C12 H16 N4 O7","O=C1C2=NC(=CN(C2=NC(=O)N1)CC(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12;C1=C(N=C2C(=O)NC(=O)N=C2N1CC(C(C(CO)O)O)O)CO","InChI=1S/C12H16N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h1,6-7,9,17-21H,2-4H2,(H,15,22,23)/t6-,7-,9+/m1/s1","","2013-07-29","2013-10-11","1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol","2013-10-16"],["1XM","4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione","C5 H5 N5 S","S=C1N=C(c2c(N1)nnc2)N;NC1=NC(=S)Nc2[nH]ncc12;c1c2c([nH]n1)NC(=S)N=C2N","InChI=1S/C5H5N5S/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11)","","2013-07-29","2014-02-21","4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione","2014-02-26"],["NC","METHYLAMINE GROUP","C H5 N","NC;CN;CN","InChI=1/CH5N/c1-2/h2H2,1H3","","1999-07-08","2008-10-14","methanamine",""],["NC0","2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid","C16 H14 N2 O3","O=C(O)c1ccccc1NC(=O)N1CCc2ccccc21;OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23;c1ccc2c(c1)CCN2C(=O)Nc3ccccc3C(=O)O","InChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20)","","2023-05-05","2023-06-09","2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid","2023-06-14"],["1XN","2H-isoindole-1,3-diamine","C8 H9 N3","c1cccc2c1c(N)nc2N;Nc1[nH]c(N)c2ccccc12;c1ccc2c(c1)c([nH]c2N)N","InChI=1S/C8H9N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,11H,9-10H2","","2013-07-29","2014-02-21","2H-isoindole-1,3-diamine","2014-02-26"],["1XO","N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide","C23 H21 N3 O2 S","O=C1c4ccccc4N=C(N1)CN(C(=O)CCc2ccccc2)Cc3sccc3;O=C(CCc1ccccc1)N(CC2=Nc3ccccc3C(=O)N2)Cc4sccc4;c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3","InChI=1S/C23H21N3O2S/c27-22(13-12-17-7-2-1-3-8-17)26(15-18-9-6-14-29-18)16-21-24-20-11-5-4-10-19(20)23(28)25-21/h1-11,14H,12-13,15-16H2,(H,24,25,28)","","2013-07-30","2013-08-09","N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide","2013-08-14"],["NC1","NITROCEFIN ACYL-SERINE","C24 H21 N5 O11 S2","[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O;N[CH](COC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C([O-])=O)C([O-])=O;c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OCC(C(=O)[O-])N","InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1","","2002-10-08","2024-09-27","(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate",""],["NC2","NITROCEFIN ACYL-SERINE","C24 H23 N5 O11 S2","O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O;N[CH](COC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O)C(O)=O;c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OCC(C(=O)O)N","InChI=1/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/b4-3+/t16-,20-,21+/m0/s1/f/h26,31,33H","","2004-12-16","2008-10-14","(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["1XP","4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide","C23 H23 Cl F N3 O3","Fc1ccc(cc1)C(=O)C3CCN(CCNC(=O)c2cc(C#N)c(Cl)cc2OC)CC3;COc1cc(Cl)c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(F)cc3)C#N;COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl","InChI=1S/C23H23ClFN3O3/c1-31-21-13-20(24)17(14-26)12-19(21)23(30)27-8-11-28-9-6-16(7-10-28)22(29)15-2-4-18(25)5-3-15/h2-5,12-13,16H,6-11H2,1H3,(H,27,30)","","2013-07-30","2013-08-09","4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide","2013-08-14"],["1XQ","2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide","C27 H29 F N4 O4 S","Fc1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)N(CC3=NC4=C(C(=O)N3)COCC4)Cc5sccc5;Fc1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)N(CC3=NC4=C(COCC4)C(=O)N3)Cc5sccc5;c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F","InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)","","2013-07-30","2013-08-09","2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide","2013-08-14"],["NC3","N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE","C9 H16 N2 O3","O=C(NC1CCCCC1)NCC(=O)O;OC(=O)CNC(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)NCC(=O)O","InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)","4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID","2005-04-21","2021-03-01","N-(cyclohexylcarbamoyl)glycine",""],["NC4","4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID","C11 H20 N2 O3","O=C(NC1CCCCC1)NCCCC(=O)O;OC(=O)CCCNC(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)NCCCC(=O)O","InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)","4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID","2005-04-21","2021-03-01","4-[(cyclohexylcarbamoyl)amino]butanoic acid",""],["1XR","Bupropion","C13 H18 Cl N O","C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1;CC(C(=O)c1cccc(c1)Cl)NC(C)(C)C","InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m0/s1","Amfebutamone","2022-11-17","2024-05-10","(2~{S})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one","2024-05-15"],["1XS","5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid","C11 H6 Cl F O3","Fc1ccc(cc1Cl)c2oc(C(=O)O)cc2;OC(=O)c1oc(cc1)c2ccc(F)c(Cl)c2;c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F","InChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)","","2013-07-30","2013-12-06","5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid","2013-12-11"],["NC5","3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide","C33 H45 N5 O2","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(CC)CCCC5;CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2;CCC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCCCC5CC","InChI=1S/C33H45N5O2/c1-3-28-9-5-7-17-37(28)19-15-32(39)34-26-13-11-24-21-25-12-14-27(23-31(25)36-30(24)22-26)35-33(40)16-20-38-18-8-6-10-29(38)4-2/h11-14,21-23,28-29H,3-10,15-20H2,1-2H3,(H,34,39)(H,35,40)/t28-,29+","","2008-10-13","2011-06-04","3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide",""],["1XT","5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid","C29 H22 N2 O6","O=C(O)c2nn(c1cc(ccc1)C)c(c2)c5ccc(OCc3ccc(cc3)c4oc(C(=O)O)cc4)cc5;Cc1cccc(c1)n2nc(cc2c3ccc(OCc4ccc(cc4)c5oc(cc5)C(O)=O)cc3)C(O)=O;Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O","InChI=1S/C29H22N2O6/c1-18-3-2-4-22(15-18)31-25(16-24(30-31)28(32)33)20-9-11-23(12-10-20)36-17-19-5-7-21(8-6-19)26-13-14-27(37-26)29(34)35/h2-16H,17H2,1H3,(H,32,33)(H,34,35)","","2013-07-30","2013-12-06","5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid","2013-12-11"],["NC6","6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID","C13 H24 N2 O3","O=C(NC1CCCCC1)NCCCCCC(=O)O;OC(=O)CCCCCNC(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)NCCCCCC(=O)O","InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)","4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID","2005-04-21","2021-03-01","6-[(cyclohexylcarbamoyl)amino]hexanoic acid",""],["1XU","5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid","C28 H18 Cl3 N3 O3 S","Clc1ccc(cc1Cl)n2nccc2c3ccc(cc3)CNC(=S)c4ccc(cc4Cl)c5oc(C(=O)O)cc5;OC(=O)c1oc(cc1)c2ccc(c(Cl)c2)C(=S)NCc3ccc(cc3)c4ccnn4c5ccc(Cl)c(Cl)c5;c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl","InChI=1S/C28H18Cl3N3O3S/c29-21-8-6-19(14-23(21)31)34-24(11-12-33-34)17-3-1-16(2-4-17)15-32-27(38)20-7-5-18(13-22(20)30)25-9-10-26(37-25)28(35)36/h1-14H,15H2,(H,32,38)(H,35,36)","","2013-07-30","2013-12-06","5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid","2013-12-11"],["NC7","7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID","C14 H26 N2 O3","O=C(NC1CCCCC1)NCCCCCCC(=O)O;OC(=O)CCCCCCNC(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)NCCCCCCC(=O)O","InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)","4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID","2005-04-21","2020-06-17","7-[(cyclohexylcarbamoyl)amino]heptanoic acid",""],["Q7W","~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide","C14 H12 Cl N O Se","Clc1cccc(CNC(=O)c2ccccc2[SeH])c1;c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]","InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)","","2020-05-26","2024-09-27","~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide","2020-09-16"],["1XV","4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide","C34 H38 Cl N5 O7 S","Clc1ccc(cc1)C2=C(COCC2)CN6CCN(c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c([N+]([O-])=O)c4)NC5CCOCC5)CC6;[O-][N+](=O)c1cc(ccc1NC2CCOCC2)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)CC5=C(CCOC5)c6ccc(Cl)cc6;c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl","InChI=1S/C34H38ClN5O7S/c35-27-5-1-24(2-6-27)31-13-20-47-23-26(31)22-38-14-16-39(17-15-38)29-7-3-25(4-8-29)34(41)37-48(44,45)30-9-10-32(33(21-30)40(42)43)36-28-11-18-46-19-12-28/h1-10,21,28,36H,11-20,22-23H2,(H,37,41)","","2013-07-30","2013-08-09","4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide","2013-08-14"],["Q7X","1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one","C11 H12 F N O2","CC(=O)N1CC(C)Oc2c(F)cccc21;C[CH]1CN(C(C)=O)c2cccc(F)c2O1;CC1CN(c2cccc(c2O1)F)C(=O)C","InChI=1S/C11H12FNO2/c1-7-6-13(8(2)14)10-5-3-4-9(12)11(10)15-7/h3-5,7H,6H2,1-2H3","","2022-06-01","2023-12-15","1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one","2023-12-20"],["1XW","(1aS,4S,6aR,7aS)-octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid","C9 H14 N2 O2","O=C(O)C3NCC1N(C2C(C1)C2)C3;OC(=O)[CH]1CN2[CH](CN1)C[CH]3C[CH]23;C1C2CC2N3C1CNC(C3)C(=O)O","InChI=1S/C9H14N2O2/c12-9(13)7-4-11-6(3-10-7)1-5-2-8(5)11/h5-8,10H,1-4H2,(H,12,13)/t5-,6-,7+,8+/m1/s1","","2013-07-30","2013-08-23","(1aS,4S,6aR,7aS)-octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid","2013-08-28"],["1XX","(2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one","C6 H8 O3","O=C1C(O)=C(OC1C)C;C[CH]1OC(=C(O)C1=O)C;CC1C(=O)C(=C(O1)C)O","InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1","","2012-12-20","2013-04-12","(2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one","2013-04-17"],["Q7Y","7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one","C10 H22 N2 O S","C(C(CS)=O)CCCCNCCCN;NCCCNCCCCCC(=O)CS;C(CCC(=O)CS)CCNCCCN","InChI=1S/C10H22N2OS/c11-6-4-8-12-7-3-1-2-5-10(13)9-14/h12,14H,1-9,11H2","","2019-10-02","2019-11-29","7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one","2019-12-04"],["Q7Z","6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  ","C23 H30 N6 O4","COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34;CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C","InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)","","2020-05-26","2020-05-29","","2020-06-03"],["1XY","(4R)-3,4-dihydro-2H-chromen-4-amine","C9 H11 N O","O2c1ccccc1C(N)CC2;N[CH]1CCOc2ccccc12;c1ccc2c(c1)C(CCO2)N","InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1","","2013-07-30","2024-09-27","(4R)-3,4-dihydro-2H-chromen-4-amine","2013-08-07"],["1XZ","3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide","C27 H31 N7 O3","CCC(=O)Nc1cc(cc(c1)c2[nH]nc3ccccc23)C(=O)NCc4cn(nn4)[CH]5CCCC[CH]5OC;CCC(=O)Nc1cc(cc(c1)C(=O)NCc2cn(nn2)C3CCCCC3OC)c4c5ccccc5n[nH]4","InChI=1S/C27H31N7O3/c1-3-25(35)29-19-13-17(26-21-8-4-5-9-22(21)31-32-26)12-18(14-19)27(36)28-15-20-16-34(33-30-20)23-10-6-7-11-24(23)37-2/h4-5,8-9,12-14,16,23-24H,3,6-7,10-11,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)/t23-,24-/m1/s1","","2021-06-15","2024-09-27","3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide","2022-07-20"],["Q80","2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine","C22 H21 Cl F3 N3 O2 S","FC(F)(F)c1ccc(nc1)SCC2OC(OC2)(Cn3cncc3)CCc4ccc(Cl)cc4;FC(F)(F)c1ccc(SC[CH]2CO[C](CCc3ccc(Cl)cc3)(Cn4ccnc4)O2)nc1;c1cc(ccc1CCC2(OCC(O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl","InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1","","2009-06-04","2011-06-04","2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine",""],["1Y0","(4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide","C30 H43 N5 O4","O=C(NC(C(=O)N3CC2N(C1CC1C2)CC3C(=O)NC4c5c(OCC4)cccc5)C6CCCCC6)C(NC)C;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3C[CH]4C[CH]4N3C[CH]2C(=O)N[CH]5CCOc6ccccc56;CC(C(=O)NC(C1CCCCC1)C(=O)N2CC3CC4CC4N3CC2C(=O)NC5CCOc6c5cccc6)NC","InChI=1S/C30H43N5O4/c1-18(31-2)28(36)33-27(19-8-4-3-5-9-19)30(38)35-16-21-14-20-15-24(20)34(21)17-25(35)29(37)32-23-12-13-39-26-11-7-6-10-22(23)26/h6-7,10-11,18-21,23-25,27,31H,3-5,8-9,12-17H2,1-2H3,(H,32,37)(H,33,36)/t18-,20+,21+,23+,24-,25-,27-/m0/s1","","2013-07-30","2013-08-23","(1aS,4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide","2013-08-28"],["Q81","1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol","C12 H18 N4 O6","N(C1=C(C(=O)NC(=O)N1)N=[C@H]C(C)=O)CC(O)CC(O)CO;CC(=O)C=NC1=C(NC[CH](O)C[CH](O)CO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCC(CC(CO)O)O","InChI=1S/C12H18N4O6/c1-6(18)3-13-9-10(15-12(22)16-11(9)21)14-4-7(19)2-8(20)5-17/h3,7-8,17,19-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t7-,8+/m1/s1","","2019-10-02","2024-09-27","1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol","2020-02-19"],["Q82","{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL)\n-2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}","C36 H38 N4 O4","N#CN=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO;OCc1ccc(CN2[CH](Cc3ccccc3)[CH](O)[CH](O)[CH](Cc4ccccc4)N(Cc5ccc(CO)cc5)C2=NC#N)cc1;c1ccc(cc1)CC2C(C(C(N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O","InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1","Q8261","1999-07-08","2020-06-17","{(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidene}cyanamide",""],["1Y1","4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide","C48 H52 Cl N7 O8 S","Clc1ccc(cc1)c2cccc(OCCN(C)C)c2CN8CCN(c5ccc(c(Oc4cc3ccnc3cc4)c5)C(=O)NS(=O)(=O)c7ccc(NCC6CCOCC6)c([N+]([O-])=O)c7)CC8;CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(C(=O)N[S](=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc6ccc7[nH]ccc7c6)c3)c8ccc(Cl)cc8;CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl","InChI=1S/C48H52ClN7O8S/c1-53(2)24-27-63-46-5-3-4-40(34-6-8-36(49)9-7-34)42(46)32-54-20-22-55(23-21-54)37-10-13-41(47(29-37)64-38-11-14-43-35(28-38)16-19-50-43)48(57)52-65(60,61)39-12-15-44(45(30-39)56(58)59)51-31-33-17-25-62-26-18-33/h3-16,19,28-30,33,50-51H,17-18,20-27,31-32H2,1-2H3,(H,52,57)","","2013-07-30","2013-08-09","4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide","2013-08-14"],["Q83","7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanyidene-heptanoic acid","C15 H18 N2 O5","O=C(O)CCCCCC(=O)N1CCc2ccc(cc21)[N+]([O-])=O;OC(=O)CCCCCC(=O)N1CCc2ccc(cc12)[N+]([O-])=O;c1cc2c(cc1[N+](=O)[O-])N(CC2)C(=O)CCCCCC(=O)O","InChI=1S/C15H18N2O5/c18-14(4-2-1-3-5-15(19)20)16-9-8-11-6-7-12(17(21)22)10-13(11)16/h6-7,10H,1-5,8-9H2,(H,19,20)","","2022-10-14","2026-04-05","7-(6-nitro-2,3-dihydro-1H-indol-1-yl)-7-oxoheptanoic acid","2023-03-22"],["1Y2","(2S)-amino(4,4-difluorocyclohexyl)ethanoic acid","C8 H13 F2 N O2","FC1(F)CCC(C(C(=O)O)N)CC1;N[CH](C1CCC(F)(F)CC1)C(O)=O;C1CC(CCC1C(C(=O)O)N)(F)F","InChI=1S/C8H13F2NO2/c9-8(10)3-1-5(2-4-8)6(11)7(12)13/h5-6H,1-4,11H2,(H,12,13)/t6-/m0/s1","","2013-07-30","2013-08-02","(2S)-amino(4,4-difluorocyclohexyl)ethanoic acid","2013-08-07"],["Q84","1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol","C12 H18 N4 O6","CC(=O)/C=N/C=1C(=O)NC(NC=1NCCC(C(O)CO)O)=O;CC(=O)C=NC1=C(NCC[CH](O)[CH](O)CO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCCC(C(CO)O)O","InChI=1S/C12H18N4O6/c1-6(18)4-14-9-10(15-12(22)16-11(9)21)13-3-2-7(19)8(20)5-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,13,15,16,21,22)/b14-4+/t7-,8+/m0/s1","","2019-10-02","2024-09-27","1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol","2020-02-19"],["1Y3","(3S,7R,8aR)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid","C10 H18 N2 O3","O=C(O)C1NCC2N(C1)CC(OCC)C2;CCO[CH]1C[CH]2CN[CH](CN2C1)C(O)=O;CCOC1CC2CNC(CN2C1)C(=O)O","InChI=1S/C10H18N2O3/c1-2-15-8-3-7-4-11-9(10(13)14)6-12(7)5-8/h7-9,11H,2-6H2,1H3,(H,13,14)/t7-,8-,9+/m1/s1","","2013-07-30","2013-08-02","(3S,7R,8aR)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid","2013-08-07"],["Q85","~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide","C15 H15 N O2 Se","COc1ccc(CNC(=O)c2ccccc2[SeH])cc1;COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]","InChI=1S/C15H15NO2Se/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H,16,17)","","2020-05-26","2024-09-27","~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide","2020-09-16"],["1Y4","(3S,8aR)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid","C8 H14 N2 O2","O=C(O)C2NCC1N(CCC1)C2;OC(=O)[CH]1CN2CCC[CH]2CN1;C1CC2CNC(CN2C1)C(=O)O","InChI=1S/C8H14N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h6-7,9H,1-5H2,(H,11,12)/t6-,7+/m1/s1","","2013-07-31","2013-08-02","(3S,8aR)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid","2013-08-07"],["Q86","4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one","C12 H13 N3 O","O=C(CCc1ccccc1)Cn2ncnc2;O=C(CCc1ccccc1)Cn2cncn2;c1ccc(cc1)CCC(=O)Cn2cncn2","InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2","4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone","2009-10-06","2020-06-17","4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one",""],["1Y5","(1R)-1,2,3,4-tetrahydronaphthalen-1-amine","C10 H13 N","c1ccc2c(c1)CCCC2N;N[CH]1CCCc2ccccc12;c1ccc2c(c1)CCCC2N","InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m1/s1","","2013-07-31","2013-08-02","(1R)-1,2,3,4-tetrahydronaphthalen-1-amine","2013-08-07"],["Q87","1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol","C12 H18 N4 O7","C=1(NCC(C(C(CO)O)O)O)NC(NC(=O)C=1N=[C@H]C(C)=O)=O;CC(=O)C=NC1=C(NC[CH](O)[CH](O)[CH](O)CO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCC(C(C(CO)O)O)O","InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1","","2019-10-02","2024-09-27","1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol","2020-02-19"],["1Y6","4-fluorobenzoic acid","C7 H5 F O2","Fc1ccc(C(=O)O)cc1;OC(=O)c1ccc(F)cc1;c1cc(ccc1C(=O)O)F","InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)","","2013-07-31","2024-09-27","4-fluorobenzoic acid","2014-12-31"],["Q88","9H-purine-6,8-diamine","C5 H6 N6","n1c(c2nc(N)nc2nc1)N;Nc1[nH]c2ncnc(N)c2n1;c1nc(c2c(n1)[nH]c(n2)N)N","InChI=1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11)","8-aminoadenine","2010-04-21","2020-06-17","9H-purine-6,8-diamine",""],["1Y7","(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate","C7 H17 O10 P","O=P(OCC(O)C(O)C(O)C(O)C(O)CO)(O)O;OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O)O","InChI=1S/C7H17O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3-13H,1-2H2,(H2,14,15,16)/t3-,4+,5+,6+,7-/m0/s1","","2013-07-31","2013-08-16","(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate","2013-08-21"],["Q8A","quinolin-8-amine","C9 H8 N2","n1cccc2cccc(N)c12;Nc1cccc2cccnc12;c1cc2cccnc2c(c1)N","InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2","","2011-03-22","2012-03-16","quinolin-8-amine",""],["1Y8","2-(trimethyl-lambda~5~-arsanyl)ethanol","C5 H14 As O","OCC[As](C)(C)C;C[As](C)(C)CCO;C[As](C)(C)CCO","InChI=1S/C5H15AsO/c1-6(2,3)4-5-7/h6-7H,4-5H2,1-3H3","","2013-07-31","2014-05-02","2-(trimethyl-lambda~5~-arsanyl)ethanol","2014-05-07"],["1Y9","vibralactone, bound form","C12 H18 O3","O=CC1(C=C(CC1O)CO)CC=C(/C)C;CC(C)=CC[C]1(C=O)C=C(CO)C[CH]1O;CC(=CCC1(C=C(CC1O)CO)C=O)C","InChI=1S/C12H18O3/c1-9(2)3-4-12(8-14)6-10(7-13)5-11(12)15/h3,6,8,11,13,15H,4-5,7H2,1-2H3/t11-,12-/m0/s1","(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde","2013-08-01","2024-09-27","(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde","2013-12-25"],["Q8B","N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  ","C27 H35 N7 O4","CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5;CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C","InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)","","2020-05-26","2020-05-29","","2020-06-03"],["Q8C","N-benzyladenosine","C17 H19 N5 O4","OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4ccccc4)ncnc23;c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1","","2022-06-01","2023-01-06","N-benzyladenosine","2023-01-11"],["1YA","N-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid","C20 H23 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)N(C=O)CC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O;NC1=NC2=C(N[CH](CN2)CN(C=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2CNC3=C(N2)C(=O)NC(=N3)N)C=O","InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11-,13-/m0/s1","","2013-08-01","2013-08-09","N-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid","2013-08-14"],["Q8D","1-cyclohexyl-1H-benzotriazole-5-carboxylic acid","C13 H15 N3 O2","c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3;OC(=O)c1ccc2n(nnc2c1)C3CCCCC3;c1cc2c(cc1C(=O)O)nnn2C3CCCCC3","InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)","","2019-10-02","2020-04-10","1-cyclohexyl-1H-benzotriazole-5-carboxylic acid","2020-04-15"],["1YC","2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one","C20 H24 N10 O13 P2","O=C7NC(=Nc1c7ncn1C5OC6COP(=O)(O)OC4C(O)C(OC4n2c3ncnc(N)c3nc2)COP(=O)(O)OC5C6O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]3[CH]4O)O[CH]5n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6N=C(NC7=O)N)O)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-12-10(31)6(40-18)1-38-45(36,37)43-13-11(32)7(2-39-44(34,35)42-12)41-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","","2013-08-02","2013-08-09","2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one","2013-08-14"],["1YD","2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one","C20 H24 N10 O13 P2","O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(O)OC4C(OC(n2c3ncnc(N)c3nc2)C4O)COP(=O)(OC5C6O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10+,11+,12-,13-,18+,19+/m0/s1","","2013-08-02","2013-08-09","2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one","2013-08-14"],["Q8E","~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide","C14 H14 N2 O2 Se","COc1ccc(CNC(=O)c2ccccc2[SeH])cn1;COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]","InChI=1S/C14H14N2O2Se/c1-18-13-7-6-10(8-15-13)9-16-14(17)11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,16,17)","","2020-05-26","2024-09-27","~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide","2020-09-16"],["Q8F","4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide","C27 H24 Cl F5 N2 O4","COCCOCc1cc(F)ccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3C)C(F)(F)F)c(Cl)cc2F;Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3COCCOC)F)C(F)(F)F","InChI=1S/C27H24ClF5N2O4/c1-15-9-18(27(31,32)33)4-6-24(15)35-26(37)20-11-21(23(30)12-22(20)28)25(36)34-13-16-3-5-19(29)10-17(16)14-39-8-7-38-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,34,36)(H,35,37)","","2022-10-14","2024-09-27","4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide","2022-12-28"],["1YE","(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid","C17 H14 O4","O=C(O)Cc3cccc1c3Oc2c(C1=O)ccc(c2C)C;Cc1ccc2C(=O)c3cccc(CC(O)=O)c3Oc2c1C;Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O","InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)","","2013-08-02","2013-08-16","(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid","2013-08-21"],["Q8G","1-cyclohexyl-1H-benzimidazole-5-carboxylic acid","C14 H16 N2 O2","c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3;OC(=O)c1ccc2n(cnc2c1)C3CCCCC3;c1cc2c(cc1C(=O)O)ncn2C3CCCCC3","InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)","","2019-10-02","2020-04-10","1-cyclohexyl-1H-benzimidazole-5-carboxylic acid","2020-04-15"],["1YF","\n[(2R,3R,4S,5S,6R)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C17 H27 N3 O15 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(NC=O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](NC=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O","InChI=1S/C17H27N3O15P2/c1-7-4-20(17(26)19-15(7)25)11-3-9(22)10(33-11)5-31-36(27,28)35-37(29,30)34-16-14(24)12(18-6-21)13(23)8(2)32-16/h4,6,8-14,16,22-24H,3,5H2,1-2H3,(H,18,21)(H,27,28)(H,29,30)(H,19,25,26)/t8-,9+,10-,11-,12+,13-,14-,16-/m1/s1","","2013-08-05","2013-08-21","(2R,3R,4S,5S,6R)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2013-08-14"],["1YG","(2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide","C20 H23 N3 O2 S2","O=C(Nc2ncc(SCc1ncc(o1)C(C)(C)C)s2)C(c3ccccc3)C;C[CH](C(=O)Nc1sc(SCc2oc(cn2)C(C)(C)C)cn1)c3ccccc3;CC(c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C","InChI=1S/C20H23N3O2S2/c1-13(14-8-6-5-7-9-14)18(24)23-19-22-11-17(27-19)26-12-16-21-10-15(25-16)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,23,24)/t13-/m0/s1","","2013-08-02","2013-09-27","(2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide","2013-10-02"],["Q8H","~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide","C13 H12 N2 O Se","[SeH]c1ccccc1C(=O)NCc2cccnc2;c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]","InChI=1S/C13H12N2OSe/c16-13(11-5-1-2-6-12(11)17)15-9-10-4-3-7-14-8-10/h1-8,17H,9H2,(H,15,16)","","2020-05-26","2024-09-27","~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide","2020-09-16"],["1YH","(3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide","C29 H43 N5 O4","O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC3c4c(OCC3)cccc4)C5CCCCC5)C(NC)C;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3CCCN3C[CH]2C(=O)N[CH]4CCOc5ccccc45;CC(C(=O)NC(C1CCCCC1)C(=O)N2CC3CCCN3CC2C(=O)NC4CCOc5c4cccc5)NC","InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1","","2013-08-02","2022-12-13","(3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide","2013-08-28"],["Q8I","1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine","C10 H11 F N2","Fc1cc2c(cc1)[NH]cc2CNC;CNCc1c[nH]c2ccc(F)cc12;CNCc1c[nH]c2c1cc(cc2)F","InChI=1S/C10H11FN2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6,12-13H,5H2,1H3","","2023-08-18","2023-11-03","1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine","2023-11-08"],["1YI","N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide","C32 H47 N3 O6 S","CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2ccc(C)c(Cc3ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc3)c2;Cc1ccc(cc1Cc2ccc(cc2)CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)C3C(C(C(C(O3)SC)O)O)O","InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1","LX2761","2022-01-26","2022-11-11","~{N}-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide","2022-11-16"],["Q8J","4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide","C24 H30 N6 O2","C(N1CCN(CC1)C(=O)Nc5cc(c3cn(C2CCOCC2)c4cnccc34)ccn5)C;CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(C4CCOCC4)c5cnccc35;CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5","InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)","","2019-10-03","2020-02-28","4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide","2020-03-04"],["Q8K","11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  ","C22 H24 N6 O2","OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5;c1cc-2cc(c1)C(=O)NCCN(C=CN(c3ccn4c(c2cn4)n3)CCO)C5CC5","InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+","","2020-05-26","2020-05-29","","2020-06-03"],["1YJ","N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid","C19 H23 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O;NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N","InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12+/m1/s1","","2013-08-05","2013-08-09","N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid","2013-08-14"],["Q8L","Piclidenoson","C18 H19 I N6 O4","Ic1cccc(c1)CNc1ncnc2c1ncn2C1OC(C(O)C1O)C(=O)NC;CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)ncnc23;CNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O","InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1","","2022-06-01","2023-01-06","(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide (non-preferred name)","2023-01-11"],["1YK","territrem B","C29 H34 O9","O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C;COc1cc(cc(OC)c1OC)C2=CC3=C(C[C]4(O)[C](C)(CC[C]5(O)C(C)(C)C=CC(=O)[C]45C)O3)C(=O)O2;CC1(C=CC(=O)C2(C1(CCC3(C2(CC4=C(O3)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)C)O)C)C","InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1","(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,\n11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione","2013-08-05","2020-06-17","(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione","2013-10-16"],["1YL","Dihydrotanshinone I","C18 H14 O3","O=C2c3c(C=1OCC(C=1C2=O)C)ccc4c(cccc34)C;C[CH]1COC2=C1C(=O)C(=O)c3c2ccc4c(C)cccc34;Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OCC4C","InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1","(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione","2013-08-05","2021-03-13","(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione","2013-10-16"],["Q8M","5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide","C14 H15 Br Cl N3 O3 S","C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3;Oc1c(Cl)cc(Br)cc1[S](=O)(=O)Nc2cn(cn2)C3CCCC3;c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br","InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2","","2019-10-03","2020-04-10","5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide","2020-04-15"],["Q8N","6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine","C15 H17 N7 S","Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2;Cc1cccc(c1)Nc2nc(nc(n2)N)CSc3nccn3C","InChI=1S/C15H17N7S/c1-10-4-3-5-11(8-10)18-14-20-12(19-13(16)21-14)9-23-15-17-6-7-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)","","2022-10-17","2023-01-27","6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine","2023-02-01"],["1YM","6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid","C18 H14 F3 N5 O3 S","O=C(O)c3cc(c1cnc(NC(=O)NCC)cc1c2nc(cs2)C(F)(F)F)cnc3;CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cncc(c3)C(O)=O;CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F","InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)","","2013-08-05","2013-11-08","6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid","2013-11-13"],["Q8O","2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide","C15 H14 N4 O","Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1;Cc1ccncc1NC(=O)Cc2ccc3nc[nH]c3c2;Cc1ccncc1NC(=O)Cc2ccc3c(c2)[nH]cn3","InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20)","","2023-08-18","2023-11-03","2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["1YN","2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one","C35 H38 Cl2 N8 O4","O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3OC(OC3)(c4ccc(Cl)cc4Cl)Cn5ncnc5)cc6)CC7)C(C)CC;CC[CH](C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[CH]5CO[C](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4;CCC(C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC5COC(O5)(Cn6cncn6)c7ccc(cc7Cl)Cl","InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1","Itraconazole","2013-08-05","2021-03-01","2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one","2014-01-29"],["Q8P","4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide","C16 H18 Br Cl N4 O4 S","C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C(NC)=O;CNC(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3;CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br","InChI=1S/C16H18BrClN4O4S/c1-19-16(24)15-20-13(8-22(15)10-4-2-3-5-10)21-27(25,26)12-7-9(17)6-11(18)14(12)23/h6-8,10,21,23H,2-5H2,1H3,(H,19,24)","","2019-10-03","2020-04-10","4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide","2020-04-15"],["1YO","3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine","C10 H12 N4 S","S(c1nncn1N)Cc2ccccc2C;Cc1ccccc1CSc2nncn2N;Cc1ccccc1CSc2nncn2N","InChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3","","2013-08-06","2014-11-07","3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine","2014-11-12"],["Q8Q","11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one ","C18 H20 N6 O","CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1;CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1","InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)","","2020-05-26","2020-05-29","","2020-06-03"],["1YP","1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea","C19 H14 F3 N7 O3 S","O=C1OC(=NN1)c4cc(c2cnc(NC(=O)NCC)cc2c3nc(cs3)C(F)(F)F)cnc4;CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cncc(c3)C4=NNC(=O)O4;CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F","InChI=1S/C19H14F3N7O3S/c1-2-24-17(30)27-14-4-11(16-26-13(8-33-16)19(20,21)22)12(7-25-14)9-3-10(6-23-5-9)15-28-29-18(31)32-15/h3-8H,2H2,1H3,(H,29,31)(H2,24,25,27,30)","","2013-08-06","2013-10-25","1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea","2013-10-30"],["Q8R","N-(2-phenylethyl)adenosine","C18 H21 N5 O4","OCC1OC(n2cnc3c(NCCc4ccccc4)ncnc32)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCc4ccccc4)ncnc23;c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1","","2022-06-01","2023-01-06","N-(2-phenylethyl)adenosine","2023-01-11"],["1YQ","(2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","C21 H16 Cl N3 O4","N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)ccc3;Clc1ccc(Oc2cccc(C=CC#N)c2)c(OCCN3C=CC(=O)NC3=O)c1;c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)C=CC#N","InChI=1S/C21H16ClN3O4/c22-16-6-7-18(29-17-5-1-3-15(13-17)4-2-9-23)19(14-16)28-12-11-25-10-8-20(26)24-21(25)27/h1-8,10,13-14H,11-12H2,(H,24,26,27)/b4-2+","(E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile","2013-08-07","2020-06-17","(2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","2013-12-25"],["1YR","(2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","C21 H15 Br Cl N3 O4","N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Br)c3;Clc1ccc(Oc2cc(Br)cc(C=CC#N)c2)c(OCCN3C=CC(=O)NC3=O)c1;c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)C=CC#N","InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+","(E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile","2013-08-07","2020-06-17","(2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","2013-12-25"],["Q8S","5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide","C15 H17 Br Cl N3 O3 S","C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C;Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3;Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br","InChI=1S/C15H17BrClN3O3S/c1-9-18-14(8-20(9)11-4-2-3-5-11)19-24(22,23)13-7-10(16)6-12(17)15(13)21/h6-8,11,19,21H,2-5H2,1H3","","2019-10-03","2020-04-10","5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide","2020-04-15"],["Q8T","11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one","C25 H34 N8 O2","CN1CCN(CC1)c2ccc3Nc4ncnc5[nH]cc(CN(C)CCCN(C)C(=O)COc2c3)c45;CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C","InChI=1S/C25H34N8O2/c1-30-9-11-33(12-10-30)20-6-5-19-13-21(20)35-16-22(34)32(3)8-4-7-31(2)15-18-14-26-24-23(18)25(29-19)28-17-27-24/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H2,26,27,28,29)","","2020-05-26","2020-05-29","","2020-06-03"],["1YS","(1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide","C26 H31 F7 N2 O3 S","O=S2CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3;CC(C)(C)c1cccc(CN[CH]2C[S](=O)C[CH](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[CH]2O)c1;CC(C)(C)c1cccc(c1)CNC2CS(=O)CC(C2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F","InChI=1S/C26H31F7N2O3S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-39(37)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)38-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+,39-/m1/s1","","2013-08-07","2013-08-23","(1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide","2013-08-28"],["Q8U","1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine","C30 H34 N8","Nc1nc(Nc2ccc3CC[CH](CCc3c2)N4CCCC4)nn1c5cc6CCCc7ccccc7c6nn5;c1ccc-2c(c1)CCCc3c2nnc(c3)n4c(nc(n4)Nc5ccc6c(c5)CCC(CC6)N7CCCC7)N","InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1","Bemcentinib","2022-10-17","2023-01-27","1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine","2023-02-01"],["1YT","(1R,3S,4S,5R)-3-(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide","C27 H36 F4 N2 O4 S","O=S2CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc3cc(F)c(N)c(OC(C(F)(F)F)COC)c3;COC[CH](Oc1cc(C[CH]2C[S](=O)C[CH](NCc3cccc(c3)C(C)(C)C)[CH]2O)cc(F)c1N)C(F)(F)F;CC(C)(C)c1cccc(c1)CNC2CS(=O)CC(C2O)Cc3cc(c(c(c3)F)N)OC(COC)C(F)(F)F","InChI=1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1","","2013-08-07","2013-08-23","(1R,3S,4S,5R)-3-(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide","2013-08-28"],["Q8V","ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate","C12 H12 N2 O2","c1cc(C(=C(C(OCC)=O)C#N)N)ccc1;CCOC(=O)C(C#N)=C(N)c1ccccc1;CCOC(=O)C(=C(c1ccccc1)N)C#N","InChI=1S/C12H12N2O2/c1-2-16-12(15)10(8-13)11(14)9-6-4-3-5-7-9/h3-7H,2,14H2,1H3/b11-10-","phenamacril","2019-10-03","2021-03-01","ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate","2020-03-25"],["1YU","(1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide","C26 H31 F7 N2 O3 S","O=S2CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3;CC(C)(C)c1cccc(CN[CH]2C[S](=O)C[CH](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[CH]2O)c1;CC(C)(C)c1cccc(c1)CNC2CS(=O)CC(C2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F","InChI=1S/C26H31F7N2O3S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-39(37)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)38-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+,39+/m1/s1","","2013-08-08","2013-08-23","(1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide","2013-08-28"],["Q8W","10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene","C22 H26 N6 O2","C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1;c1cc-2cc(c1)OC=CN(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5","InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+","","2020-05-26","2020-05-29","","2020-06-03"],["1YV","N-[(2R)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide","C19 H22 N2 O2 S","N#Cc2ccc(c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C)cc2;CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N;CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N","InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m0/s1","","2013-08-08","2013-11-29","N-[(2R)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide","2013-12-04"],["1YW","N-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide","C16 H20 F N3 O2","Fc2c(N1CCCC1)ccc(c2)C3=NOC(C3)CNC(=O)C;CC(=O)NC[CH]1CC(=NO1)c2ccc(N3CCCC3)c(F)c2;CC(=O)NCC1CC(=NO1)c2ccc(c(c2)F)N3CCCC3","InChI=1S/C16H20FN3O2/c1-11(21)18-10-13-9-15(19-22-13)12-4-5-16(14(17)8-12)20-6-2-3-7-20/h4-5,8,13H,2-3,6-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1","","2013-08-08","2013-11-29","N-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide","2013-12-04"],["Q8X","(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal","C14 H15 N3 O2 S","N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O;c1ccnc(c1)c2ccc(cn2)CSCC(C(=O)O)N","InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1","","2022-07-20","2024-09-27","(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid","2023-08-16"],["1YX","N-[(3S)-1-{2-fluoro-4-[(5S)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide","C19 H27 F N4 O4 S","O=C(NC3CCN(c2c(F)cc(C1=NOC(C1)CNS(=O)(=O)C(C)C)cc2)C3)C;CC(C)[S](=O)(=O)NC[CH]1CC(=NO1)c2ccc(N3CC[CH](C3)NC(C)=O)c(F)c2;CC(C)S(=O)(=O)NCC1CC(=NO1)c2ccc(c(c2)F)N3CCC(C3)NC(=O)C","InChI=1S/C19H27FN4O4S/c1-12(2)29(26,27)21-10-16-9-18(23-28-16)14-4-5-19(17(20)8-14)24-7-6-15(11-24)22-13(3)25/h4-5,8,12,15-16,21H,6-7,9-11H2,1-3H3,(H,22,25)/t15-,16-/m0/s1","","2013-08-08","2013-11-29","N-[(3S)-1-{2-fluoro-4-[(5S)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide","2013-12-04"],["Q8Y","N-(3-phenylpropyl)adenosine","C19 H23 N5 O4","OCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCCc4ccccc4)ncnc23;c1ccc(cc1)CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1","","2022-06-01","2023-01-06","N-(3-phenylpropyl)adenosine","2023-01-11"],["1YY","(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol","C23 H30 F3 N3 O4 S2","O=S(=O)(N2CC(N(c1ccc(cc1)C(O)(C)C(F)(F)F)CC2)CN3C(C)COCC3)c4sccc4;C[CH]1COCCN1C[CH]2CN(CCN2c3ccc(cc3)[C](C)(O)C(F)(F)F)[S](=O)(=O)c4sccc4;CC1COCCN1CC2CN(CCN2c3ccc(cc3)C(C)(C(F)(F)F)O)S(=O)(=O)c4cccs4","InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1","","2013-08-09","2013-11-15","(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol","2013-11-20"],["Q8Z","~{N}-methoxy-~{N}-methyl-benzenesulfonamide","C8 H11 N O3 S","CON(C)[S](=O)(=O)c1ccccc1;CN(OC)S(=O)(=O)c1ccccc1","InChI=1S/C8H11NO3S/c1-9(12-2)13(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3","","2022-10-17","2023-03-03","~{N}-methoxy-~{N}-methyl-benzenesulfonamide","2023-03-08"],["1YZ","4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide","C17 H17 N5 O3","O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCC)cc3;CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1;CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N","InChI=1S/C17H17N5O3/c1-2-25-11-7-6-10-4-3-5-14(12(10)8-11)22-9-13(20-17(19)24)15(21-22)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H3,19,20,24)","","2013-08-09","2014-03-28","4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide","2014-04-02"],["Q90","4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid","C27 H20 Cl N O7 S","Clc1cc(OCC(=O)O)c(cc1)c1cc(NS(=O)(=O)c2ccc(cc2)c2ccccc2)c(cc1)C(=O)O;OC(=O)COc1cc(Cl)ccc1c2ccc(C(O)=O)c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3C(=O)O)c4ccc(cc4OCC(=O)O)Cl","InChI=1S/C27H20ClNO7S/c28-20-9-13-22(25(15-20)36-16-26(30)31)19-8-12-23(27(32)33)24(14-19)29-37(34,35)21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-15,29H,16H2,(H,30,31)(H,32,33)","","2023-03-28","2024-09-16","(1M)-3-([1,1'-biphenyl]-4-sulfonamido)-2'-(carboxymethoxy)-4'-chloro[1,1'-biphenyl]-4-carboxylic acid","2024-03-27"],["Q92","3-quinolin-6-ylbenzoic acid","C16 H11 N O2","OC(=O)c1cccc(c1)c2ccc3ncccc3c2;c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3","InChI=1S/C16H11NO2/c18-16(19)14-4-1-3-11(10-14)12-6-7-15-13(9-12)5-2-8-17-15/h1-10H,(H,18,19)","","2017-07-27","2018-01-05","3-quinolin-6-ylbenzoic acid","2018-01-10"],["1Z0","N-methyl-D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-L-prolinamide","C29 H35 N7 O5 S","O=C(N1CCCC1C(=O)NC(C(=O)c2nc3ccc(cc3s2)C(=O)O)CCCNC(=[N@H])N)C(NC)Cc4ccccc4;CN[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCNC(N)=N)C(=O)c3sc4cc(ccc4n3)C(O)=O;CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)c3nc4ccc(cc4s3)C(=O)O","InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1","RWJ-51438","2008-08-15","2024-09-27","N-methyl-D-phenylalanyl-N-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-L-prolinamide",""],["Q93","(1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid","C19 H23 F N2 O3","O=C(C1C(C(=O)O)C2CCC1C2)N1CCN(CC1)c1ccc(F)cc1;OC(=O)[CH]1[CH]2CC[CH](C2)[CH]1C(=O)N3CCN(CC3)c4ccc(F)cc4;c1cc(ccc1N2CCN(CC2)C(=O)C3C4CCC(C4)C3C(=O)O)F","InChI=1S/C19H23FN2O3/c20-14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(23)16-12-1-2-13(11-12)17(16)19(24)25/h3-6,12-13,16-17H,1-2,7-11H2,(H,24,25)/t12-,13+,16-,17+/m0/s1","","2022-06-02","2024-09-27","(1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid","2022-07-06"],["1Z1","N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide","C32 H57 N7 O6 S2","O=C(NCC(C)CC)CC(O)C(NC(=O)C(NC(=O)C(NS(=O)(=O)N(C)C)Cc1ccccc1)CCCCNC(=S)NC)CC(C)C;CC[CH](C)CNC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](CCCCNC(=S)NC)NC(=O)[CH](Cc1ccccc1)N[S](=O)(=O)N(C)C;CCC(C)CNC(=O)CC(C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N(C)C)O","InChI=1S/C32H57N7O6S2/c1-8-23(4)21-35-29(41)20-28(40)26(18-22(2)3)37-30(42)25(16-12-13-17-34-32(46)33-5)36-31(43)27(38-47(44,45)39(6)7)19-24-14-10-9-11-15-24/h9-11,14-15,22-23,25-28,38,40H,8,12-13,16-21H2,1-7H3,(H,35,41)(H,36,43)(H,37,42)(H2,33,34,46)/t23-,25-,26-,27-,28-/m0/s1","","2008-08-19","2011-07-13","N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-6-methyl-1-{[(2S)-2-methylbutyl]amino}-1-oxoheptan-4-yl]-N~6~-(methylcarbamothioyl)-L-lysinamide",""],["1Z6","4-(4-fluorophenyl)-3-methyl-1H-pyrazole","C10 H9 F N2","Fc2ccc(c1cnnc1C)cc2;Cc1n[nH]cc1c2ccc(F)cc2;Cc1c(c[nH]n1)c2ccc(cc2)F","InChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)","","2014-02-27","2014-09-05","4-(4-fluorophenyl)-3-methyl-1H-pyrazole","2014-04-02"],["Q94","N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","C12 H16 N8 O2 S2","c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O;CC(=O)Nc1sc(N[CH]2CCN(C2)c3sc(NC(C)=O)nn3)nn1;CC(=O)Nc1nnc(s1)NC2CCN(C2)c3nnc(s3)NC(=O)C","InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1","","2019-10-04","2020-10-02","N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","2020-10-07"],["Q95","[2-(2-methylphenyl)sulfanylphenyl]methanamine","C14 H15 N S","Cc1ccccc1Sc2ccccc2CN;Cc1ccccc1Sc2ccccc2CN","InChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3","","2020-05-27","2022-05-20","[2-(2-methylphenyl)sulfanylphenyl]methanamine","2022-05-25"],["1Z7","N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-\nvalinamide","C30 H50 N3 O8 P","O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)C(C)C)C(C)C)CC(C)C;COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](NC(=O)CC(C)C)C(C)C)C(C)C;CC(C)CC(NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)P(=O)(O)OC(Cc1ccccc1)C(=O)OC","InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1","IVA-VAL-VAL-LP(0)FOMe","2008-08-19","2020-06-17","N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide",""],["Q96","3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide","C8 H13 N3 O2 S","CNc1ccc(cc1N)[S](=O)(=O)NC;CNc1ccc(cc1N)S(=O)(=O)NC","InChI=1S/C8H13N3O2S/c1-10-8-4-3-6(5-7(8)9)14(12,13)11-2/h3-5,10-11H,9H2,1-2H3","","2022-10-17","2023-03-03","3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide","2023-03-08"],["1Z8","4-phenyl-3-(trifluoromethyl)-1H-pyrazole","C10 H7 F3 N2","FC(F)(F)c2nncc2c1ccccc1;FC(F)(F)c1n[nH]cc1c2ccccc2;c1ccc(cc1)c2c[nH]nc2C(F)(F)F","InChI=1S/C10H7F3N2/c11-10(12,13)9-8(6-14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)","","2014-02-27","2014-09-05","4-phenyl-3-(trifluoromethyl)-1H-pyrazole","2014-04-02"],["1ZB","N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide","C12 H14 N4 O2","[N-]=[N+]=CC(=O)C(NC(=O)CN)Cc1ccccc1;NCC(=O)N[CH](Cc1ccccc1)C(=O)C=[N+]=[N-];c1ccc(cc1)CC(C(=O)C=[N+]=[N-])NC(=O)CN","InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1","","2009-03-11","2024-09-27","N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]glycinamide",""],["Q97","4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol","C24 H24 O3","O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccc(O)cc3)CC)CC;CCOc1ccc(cc1)C(=C(CC)c2ccc(O)cc2)c3ccc(O)cc3;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCC)c3ccc(cc3)O","InChI=1S/C24H24O3/c1-3-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(16-10-19)27-4-2/h5-16,25-26H,3-4H2,1-2H3/b24-23-","","2011-01-20","2012-01-06","4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol",""],["1ZC","(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone","C10 H9 N3 O3","O=C(c1cccc(OC)c1)c2nonc2N;COc1cccc(c1)C(=O)c2nonc2N;COc1cccc(c1)C(=O)c2c(non2)N","InChI=1S/C10H9N3O3/c1-15-7-4-2-3-6(5-7)9(14)8-10(11)13-16-12-8/h2-5H,1H3,(H2,11,13)","","2014-02-27","2014-09-05","(4-amino-1,2,5-oxadiazol-3-yl)(3-methoxyphenyl)methanone","2014-04-02"],["Q98","11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one","C17 H17 N5 O2","O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2;c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3","InChI=1S/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23)","","2020-05-27","2020-05-29","","2020-06-03"],["1ZD","N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide","C35 H68 N11 O8","O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C;CCCC[CH](CN[CH](CCCC)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CCCNC(N)=[NH2+])C(N)=O)NC(=O)[CH](NC(=O)[CH](NC(C)=O)[CH](C)O)[CH](C)CC;CCCCC(CNC(CCCC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=[NH2+])N)C(=O)N)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C","InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1","Peptide Inhibitor p2/NC","2008-08-22","2010-01-12","N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide",""],["Q99","N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","C21 H18 Cl N3 O5","O=C1Nc2ccccc2C(=C1)C(=O)NCCOc1cc(Cl)cc(OC2CC(=O)N2)c1;Clc1cc(OCCNC(=O)C2=CC(=O)Nc3ccccc23)cc(O[CH]4CC(=O)N4)c1;c1ccc2c(c1)C(=CC(=O)N2)C(=O)NCCOc3cc(cc(c3)Cl)OC4CC(=O)N4","InChI=1S/C21H18ClN3O5/c22-12-7-13(9-14(8-12)30-20-11-19(27)25-20)29-6-5-23-21(28)16-10-18(26)24-17-4-2-1-3-15(16)17/h1-4,7-10,20H,5-6,11H2,(H,23,28)(H,24,26)(H,25,27)/t20-/m0/s1","","2023-08-18","2023-11-03","N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["Q9A","N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","C12 H16 N8 O2 S2","C2C(CN(c1nnc(NC(C)=O)s1)C2)Nc3nnc(NC(C)=O)s3;CC(=O)Nc1sc(N[CH]2CCN(C2)c3sc(NC(C)=O)nn3)nn1;CC(=O)Nc1nnc(s1)NC2CCN(C2)c3nnc(s3)NC(=O)C","InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m0/s1","","2019-10-04","2020-10-02","N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","2020-10-07"],["1ZG","N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide","C22 H32 N3 O8 P","O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2;CC(C)[CH](NC(=O)CCC(O)=O)C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[P](O)(O)=O;CC(C)C(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O","InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18+,20-/m0/s1","","2008-08-25","2024-09-27","N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-2-phenyl-1-phosphonoethyl]-L-prolinamide",""],["1ZK","4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba\nmoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium","C45 H62 N7 O7","O=C(NCc1ncccc1)C(NC(=O)C(C(C)C)C(O)C(O)C(NC(=O)C(NC(=O)COc3c2ccccc2ccc3)Cc4cnc[nH+]4)CC5CCCCC5)C(C)CC;CC[CH](C)[CH](NC(=O)[CH](C(C)C)[CH](O)[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2c[nH]c[nH+]2)NC(=O)COc3cccc4ccccc34)C(=O)NCc5ccccn5;CCC(C)C(C(=O)NCc1ccccn1)NC(=O)C(C(C)C)C(C(C(CC2CCCCC2)NC(=O)C(Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O","InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/p+1/t29-,35-,36-,39+,40-,41+,42+/m0/s1","U75875","2008-08-26","2020-06-17","4-[(2S)-3-{[(1S,2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium",""],["Q9B","8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one","C18 H19 N5 O","O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2;c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3","InChI=1S/C18H19N5O/c24-18-14-6-4-5-13(11-14)15-12-21-23-10-7-16(22-17(15)23)19-8-2-1-3-9-20-18/h4-7,10-12H,1-3,8-9H2,(H,19,22)(H,20,24)","","2020-05-27","2020-05-29","","2020-06-03"],["1ZN","(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid","C20 H29 N O3","O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C;CO[CH](Cc1ccccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)=O;CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc1)OC","InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1","","2008-12-11","2024-09-27","(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",""],["Q9C","N-{4-[(3-aminopropyl)amino]butyl}acetamide","C9 H21 N3 O","O=C(NCCCCNCCCN)C;CC(=O)NCCCCNCCCN;CC(=O)NCCCCNCCCN","InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)","N8-acetylspermidine","2011-02-16","2020-06-17","N-{4-[(3-aminopropyl)amino]butyl}acetamide",""],["1ZQ","5,6-bis(4-fluorophenyl)pyridine-2,3-diol","C17 H11 F2 N O2","Fc3ccc(c2nc(O)c(O)cc2c1ccc(F)cc1)cc3;Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3;c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F","InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)","","2013-08-12","2013-09-13","5,6-bis(4-fluorophenyl)pyridine-2,3-diol","2013-09-18"],["Q9D","benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate","C18 H18 N2 O5","c1c(cc(cc1)CC(C(C)=O)NC(=O)OCc2ccccc2)[N+](=O)[O-];CC(=O)[CH](Cc1cccc(c1)[N+]([O-])=O)NC(=O)OCc2ccccc2;CC(=O)C(Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2","InChI=1S/C18H18N2O5/c1-13(21)17(11-15-8-5-9-16(10-15)20(23)24)19-18(22)25-12-14-6-3-2-4-7-14/h2-10,17H,11-12H2,1H3,(H,19,22)/t17-/m0/s1","","2019-10-07","2024-09-27","benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate","2020-09-09"],["Q9E","(5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","C23 H30 N4 O6 S","CN(C)C(=O)[CH]1CSCc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1;CC(=O)N1CCCC1C(=O)NC2COC(=O)c3ccccc3CSCC(NC2=O)C(=O)N(C)C","InChI=1S/C23H30N4O6S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-33-23(32)16-8-5-4-7-15(16)12-34-13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+/m1/s1","(5~{S},8~{R})-8-[[(2~{S})-1-ethanoyl-2,3-dihydropyrrol-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","2020-05-28","2021-02-07","(5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","2020-12-30"],["1ZT","N-acetyl-L-cysteine","C5 H9 N O3 S","O=C(NC(C(=O)O)CS)C;CC(=O)N[CH](CS)C(O)=O;CC(=O)NC(CS)C(=O)O","InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1","","2008-08-27","2010-03-29","N-acetyl-L-cysteine",""],["Q9F","4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid","C25 H18 Cl N O5 S","OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3C(=O)O)O)c4ccc(cc4)Cl","InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)","","2023-03-28","2024-03-22","4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid","2024-03-27"],["1ZV","amino({3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium","C30 H50 N7 O5","O=C1N3C(C(=O)NC(C(=O)C(O)NCCCCCCCC(O)NC1CCc2ccccc2)CCCNC(=[NH2+])N)CCC3;NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C(=O)[CH](CCc3ccccc3)N[CH](O)CCCCCCCN[CH](O)C1=O;c1ccc(cc1)CCC2C(=O)N3CCCC3C(=O)NC(C(=O)C(NCCCCCCCC(N2)O)O)CCCNC(=[NH2+])N","InChI=1S/C30H49N7O5/c31-30(32)34-19-9-13-22-26(39)28(41)33-18-8-3-1-2-7-15-25(38)35-23(17-16-21-11-5-4-6-12-21)29(42)37-20-10-14-24(37)27(40)36-22/h4-6,11-12,22-25,28,33,35,38,41H,1-3,7-10,13-20H2,(H,36,40)(H4,31,32,34)/p+1/t22-,23+,24-,25+,28?/m0/s1","","2008-08-27","2024-09-27","amino({3-[(3S,5R,14R,16R,21aS)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium",""],["1ZW","N-[(4-cyanophenyl)methyl]methanethioamide","C9 H8 N2 S","N#Cc1ccc(cc1)CNC=S;S=CNCc1ccc(cc1)C#N;c1cc(ccc1CNC=S)C#N","InChI=1S/C9H8N2S/c10-5-8-1-3-9(4-2-8)6-11-7-12/h1-4,7H,6H2,(H,11,12)","","2014-02-28","2014-09-05","N-(4-cyanobenzyl)thioformamide","2014-03-19"],["Q9G","5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE","C17 H17 F N4","Cc1ccc(F)cc1c2nc3[nH]nc(N)c3c4CCCCc24;Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F","InChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)","","2010-11-19","2011-11-25","5-(5-fluoro-2-methyl-phenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[5,4-c]isoquinolin-1-amine",""],["1ZZ","5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine","C22 H36 N5 O8 P","O=P(OC(=O)CCCCCCCCCCC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCCCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C22H36N5O8P/c1-2-3-4-5-6-7-8-9-10-11-16(28)35-36(31,32)33-12-15-18(29)19(30)22(34-15)27-14-26-17-20(23)24-13-25-21(17)27/h13-15,18-19,22,29-30H,2-12H2,1H3,(H,31,32)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1","","2010-03-04","2011-06-04","5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine",""],["Q9H","(2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","C25 H31 N11 O8","NCCNc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(c(n2)C#CCOCC3C(C(C(O3)n4cnc5c4ncnc5NCCN)O)O)C6C(C(C(O6)CO)O)O)N","InChI=1S/C25H31N11O8/c26-3-4-28-21-15-22(31-9-30-21)35(10-33-15)24-18(40)17(39)12(44-24)7-42-5-1-2-13-34-14-20(27)29-8-32-23(14)36(13)25-19(41)16(38)11(6-37)43-25/h8-12,16-19,24-25,37-41H,3-7,26H2,(H2,27,29,32)(H,28,30,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1","","2020-05-28","2021-05-21","(2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","2021-05-26"],["Q9I","4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide","C8 H10 Cl N O3 S","CON(C)[S](=O)(=O)c1ccc(Cl)cc1;CN(OC)S(=O)(=O)c1ccc(cc1)Cl","InChI=1S/C8H10ClNO3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3","","2022-10-17","2023-03-03","4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide","2023-03-08"],["200","4-CHLORO-L-PHENYLALANINE","C9 H10 Cl N O2","Clc1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(Cl)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)Cl","InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2005-09-15","2024-09-27","4-chloro-L-phenylalanine",""],["Q9J","(5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide","C17 H17 N5 O2 S","C5C4Cn3c(c(C(N)=O)c(c2cc1c(scn1)cc2)n3)NC(C4)C5O;NC(=O)c1c2N[CH]3C[CH](C[CH]3O)Cn2nc1c4ccc5scnc5c4;c1cc2c(cc1c3c(c4n(n3)CC5CC(N4)C(C5)O)C(=O)N)ncs2","InChI=1S/C17H17N5O2S/c18-16(24)14-15(9-1-2-13-11(5-9)19-7-25-13)21-22-6-8-3-10(12(23)4-8)20-17(14)22/h1-2,5,7-8,10,12,20,23H,3-4,6H2,(H2,18,24)/t8-,10+,12+/m1/s1","","2019-10-07","2019-11-29","(5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide","2019-12-04"],["201","3-AMIDO-5-BIPHENYL-BENZOIC ACID","C20 H15 N O3","O=C(c3cc(c2ccc(c1ccccc1)cc2)cc(c3)C(=O)O)N;NC(=O)c1cc(cc(c1)c2ccc(cc2)c3ccccc3)C(O)=O;c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N","InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)","5-(AMINOCARBONYL)-1,1':4',1''-TERPHENYL-3-CARBOXYLIC ACID","2005-09-19","2021-03-13","5-carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid",""],["Q9K","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol","C26 H34 N12 O7","NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C26H34N12O7/c27-4-2-6-36(7-12-17(40)19(42)25(44-12)37-11-34-15-21(28)30-9-32-23(15)37)5-1-3-14-35-16-22(29)31-10-33-24(16)38(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,39-43H,2,4-8,27H2,(H2,28,30,32)(H2,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1","","2020-05-28","2021-05-21","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol","2021-05-26"],["202","BROMIC ACID","Br H O3","O=Br(=O)O;O[Br](=O)=O;OBr(=O)=O","InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)","","2005-11-21","2023-09-23","bromic acid",""],["203","1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE","C4 H4 N4 O3 S","O=C2c1c(ncn1)NS(=O)(=O)N2;O=C1N[S](=O)(=O)Nc2nc[nH]c12;c1[nH]c2c(n1)NS(=O)(=O)NC2=O","InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)","","2005-10-07","2011-06-04","1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide",""],["Q9L","4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid","C25 H18 Cl N O4 S","OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3C(=O)O)c4ccc(cc4)Cl","InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29)","","2023-03-28","2024-03-22","4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid","2024-03-27"],["Q9M","2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide","C23 H21 N7 O3 S2","C3(CN(c2sc(NC(Cc1ccccc1)=O)nn2)C3)Oc5nnc(NC(=O)Cc4ccccc4)s5;O=C(Cc1ccccc1)Nc2sc(OC3CN(C3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C23H21N7O3S2/c31-18(11-15-7-3-1-4-8-15)24-20-26-28-22(34-20)30-13-17(14-30)33-23-29-27-21(35-23)25-19(32)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,26,31)(H,25,27,32)","","2019-10-08","2020-10-09","2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide","2020-10-14"],["204","2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER","C7 H9 N3 O3","O=C(OCC)c1cnc(nc1O)N;CCOC(=O)c1cnc(N)nc1O;CCOC(=O)c1cnc(nc1O)N","InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)","","2004-03-05","2011-06-04","ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate",""],["205","2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID","C14 H7 Cl2 N O3","Clc3cccc(Cl)c3c1nc2ccc(cc2o1)C(=O)O;OC(=O)c1ccc2nc(oc2c1)c3c(Cl)cccc3Cl;c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl","InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)","","2005-12-12","2011-06-04","2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid",""],["Q9N","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide","C27 H34 N12 O8","NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)CCCN)O)O)N)O)O)N","InChI=1S/C27H34N12O8/c28-5-1-4-15(40)31-7-12-18(41)21(44)27(46-12)39-14(37-17-23(30)33-10-35-25(17)39)3-2-6-45-8-13-19(42)20(43)26(47-13)38-11-36-16-22(29)32-9-34-24(16)38/h9-13,18-21,26-27,41-44H,1,4-8,28H2,(H,31,40)(H2,29,32,34)(H2,30,33,35)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1","","2020-05-28","2021-05-21","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide","2021-05-26"],["Q9O","4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol","C15 H17 N O2 S","CN(C)Cc1ccccc1Sc2ccc(O)cc2O;CN(C)Cc1ccccc1Sc2ccc(cc2O)O","InChI=1S/C15H17NO2S/c1-16(2)10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)18/h3-9,17-18H,10H2,1-2H3","","2023-08-29","2024-04-12","4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol","2024-04-17"],["207","1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE","C13 H18 N4 O","n2c(cc1c(ncn1)c2OCC3CCCCC3)N;Nc1cc2[nH]cnc2c(OCC3CCCCC3)n1;c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2","InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16)","","2002-06-27","2011-06-04","4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine",""],["208","(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID","C24 H23 Cl N2 O4","O=C(O)C(OCC)Cc1cc2c(cc1)n(cc2)Cc3nc(oc3C)c4c(Cl)cccc4;CCO[CH](Cc1ccc2n(Cc3nc(oc3C)c4ccccc4Cl)ccc2c1)C(O)=O;CCOC(Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O","InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1","","2006-05-11","2011-06-04","(2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-indol-5-yl)-2-ethoxypropanoic acid",""],["Q9P","Azolopyrimidine","C12 H9 Cl N4 O","Oc1n2ncnc2nc(Cl)c1Cc3ccccc3;c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl","InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2","","2016-12-24","2017-07-14","5-chloranyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol","2017-07-19"],["Q9Q","4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside","C24 H37 N3 O9 S","C[CH]1O[CH](SCc2ccc(OCc3cn(CCOCCOCCOCCO)nn3)cc2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O","InChI=1S/C24H37N3O9S/c1-17-21(29)22(30)23(31)24(36-17)37-16-18-2-4-20(5-3-18)35-15-19-14-27(26-25-19)6-8-32-10-12-34-13-11-33-9-7-28/h2-5,14,17,21-24,28-31H,6-13,15-16H2,1H3/t17-,21+,22+,23-,24-/m0/s1","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[4-[[1-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methoxy]p\nhenyl]methylsulfanyl]-6-methyl-oxane-3,4,5-triol","2020-05-28","2021-04-02","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[4-[[1-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methylsulfanyl]-6-methyl-oxane-3,4,5-triol","2021-04-07"],["209","8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE","C7 H9 N5 O2","O=C2c1nc(nc1N(C(=O)N2C)C)N;CN1C(=O)N(C)c2[nH]c(N)nc2C1=O;CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C","InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)","","2003-12-22","2011-06-04","8-amino-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",""],["Q9R","5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid","C25 H17 Cl F N O5 S","OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3O)C(=O)O)c4ccc(c(c4)Cl)F","InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31)","","2023-03-28","2024-03-22","5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid","2024-03-27"],["20A","1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C21 H25 N5 O2","O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4;CCn1ncc2c(NC3CCOCC3)c(cnc12)C(=O)NCc4ccccc4;CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4","InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)","N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2008-05-17","2020-06-17","N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide",""],["Q9S","5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine","C9 H13 N7 O S2","Nc3nnc(OC1CCN(CC1)c2nnc(N)s2)s3;Nc1sc(OC2CCN(CC2)c3sc(N)nn3)nn1;C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N","InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13)","","2019-10-08","2020-10-02","5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine","2020-10-07"],["20B","2-(3-hydroxyphenyl)-4H-chromen-4-one","C15 H10 O3","O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3;Oc1cccc(c1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O","InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H","3'-hydroxyflavone","2012-10-19","2020-06-17","2-(3-hydroxyphenyl)-4H-chromen-4-one","2012-10-26"],["20C","2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid","C16 H11 N O5","O=C(O)c1ccc(cc1O)N3C(=O)c2cccc(c2C3=O)C;Cc1cccc2C(=O)N(c3ccc(C(O)=O)c(O)c3)C(=O)c12;Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O","InChI=1S/C16H11NO5/c1-8-3-2-4-11-13(8)15(20)17(14(11)19)9-5-6-10(16(21)22)12(18)7-9/h2-7,18H,1H3,(H,21,22)","2-hydroxy-4-(4-methyl-1,3-dioxo-2,3-dihydro-1H- isoindol-2-yl)benzoic acid","2009-08-06","2020-06-17","2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid",""],["Q9T","2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol","C10 H4 Br2 F3 N O2","Oc1c(Br)cc(Br)cc1c2onc(c2)C(F)(F)F;c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br","InChI=1S/C10H4Br2F3NO2/c11-4-1-5(9(17)6(12)2-4)7-3-8(16-18-7)10(13,14)15/h1-3,17H","","2016-12-25","2017-07-14","2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol","2017-07-19"],["Q9U","2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine","C15 H19 N5 O S","Cc1[nH]c(c2CC(C)(C)CC(=O)c12)c3csc(N=C(N)N)n3;Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CC(CC2=O)(C)C","InChI=1S/C15H19N5OS/c1-7-11-8(4-15(2,3)5-10(11)21)12(18-7)9-6-22-14(19-9)20-13(16)17/h6,18H,4-5H2,1-3H3,(H4,16,17,19,20)","","2023-08-24","2024-09-06","2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine","2024-09-11"],["20D","2-(4-fluorophenyl)-4H-chromen-4-one","C15 H9 F O2","Fc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;Fc1ccc(cc1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F","InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H","4'-fluoroflavone","2012-10-19","2021-03-01","2-(4-fluorophenyl)-4H-chromen-4-one","2012-10-26"],["Q9V","N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide","C13 H17 N7 O3 S2","C2C(CCN(c1nnc(NC(C)=O)s1)C2)Oc3nnc(NC(C)=O)s3;CC(=O)Nc1sc(OC2CCN(CC2)c3sc(NC(C)=O)nn3)nn1;CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C","InChI=1S/C13H17N7O3S2/c1-7(21)14-10-16-18-12(24-10)20-5-3-9(4-6-20)23-13-19-17-11(25-13)15-8(2)22/h9H,3-6H2,1-2H3,(H,14,16,21)(H,15,17,22)","","2019-10-08","2020-10-02","N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide","2020-10-07"],["20E","(2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one","C27 H44 O7","O=C1C=C3C(C2(CC(O)C(O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(O)(C)C)CCC34O;CC(C)(O)CC[CH](O)[C](C)(O)[CH]1CC[C]2(O)C3=CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C;CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O","InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1","2-beta,3-beta,14,20,22,25-Hexahydroxy-5-beta-cholet-7-en-6- one","2007-09-14","2021-03-13","(2alpha,3alpha,5alpha,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one",""],["Q9W","N-(4-phenylbutyl)adenosine","C20 H25 N5 O4","OCC1OC(n2cnc3c(NCCCCc4ccccc4)ncnc32)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCCCc4ccccc4)ncnc23;c1ccc(cc1)CCCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1","","2022-06-03","2023-01-06","N-(4-phenylbutyl)adenosine","2023-01-11"],["20F","5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one","C18 H12 F N5 O2","Fc1ccc(cc1)C=4C=C(O)C(=O)NC=4c3ccc(c2nnnn2)cc3;OC1=CC(=C(NC1=O)c2ccc(cc2)c3[nH]nnn3)c4ccc(F)cc4;c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F","InChI=1S/C18H12FN5O2/c19-13-7-5-10(6-8-13)14-9-15(25)18(26)20-16(14)11-1-3-12(4-2-11)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)","","2013-08-12","2013-09-20","5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one","2013-09-25"],["Q9X","6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine","C17 H19 Br N6 S","CN(Cc1sc(Br)cc1)Cc2nc(N)nc(Nc3ccc(C)cc3)n2;Cc1ccc(cc1)Nc2nc(nc(n2)N)CN(C)Cc3ccc(s3)Br","InChI=1S/C17H19BrN6S/c1-11-3-5-12(6-4-11)20-17-22-15(21-16(19)23-17)10-24(2)9-13-7-8-14(18)25-13/h3-8H,9-10H2,1-2H3,(H3,19,20,21,22,23)","","2022-10-17","2023-01-27","6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine","2023-02-01"],["20G","N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide","C17 H22 Cl2 N2 O3 S","O=C(N1CCC(NC(=O)CCCS)CC1)COc2ccc(Cl)cc2Cl;SCCCC(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl;c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS","InChI=1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22)","","2013-08-12","2024-09-27","N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide","2013-11-27"],["Q9Y","~{N}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide","C9 H16 N4 O2","CNC(=O)c1n(CCC(C)C)nnc1O;CC(C)CCn1c(c(nn1)O)C(=O)NC","InChI=1S/C9H16N4O2/c1-6(2)4-5-13-7(8(14)10-3)9(15)11-12-13/h6,15H,4-5H2,1-3H3,(H,10,14)","","2016-12-25","2017-05-12","~{N}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide","2017-05-17"],["20H","1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide","C16 H20 Cl2 N2 O3 S","O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl;SCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl;c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS","InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22)","","2013-08-12","2024-09-27","1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide","2013-11-27"],["20J","7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide","C8 H7 Cl N2 O2 S","Clc1ccc2N=C(NS(=O)(=O)c2c1)C;CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1;CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl","InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)","","2013-08-13","2013-09-20","7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide","2013-09-25"],["Q9Z","3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one","C7 H13 N3 O","CC(C)CCN1CC(=O)N=N1;CC(C)CCN1CC(=O)N=N1","InChI=1S/C7H13N3O/c1-6(2)3-4-10-5-7(11)8-9-10/h6H,3-5H2,1-2H3","","2016-12-25","2017-05-12","3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one","2017-05-17"],["20K","2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine","C17 H18 Cl N5 S","Clc1c(N(C)C)ccc(c1)Nc3nc(c2sc(nc2C)C)ccn3;CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1Cl;Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C","InChI=1S/C17H18ClN5S/c1-10-16(24-11(2)20-10)14-7-8-19-17(22-14)21-12-5-6-15(23(3)4)13(18)9-12/h5-9H,1-4H3,(H,19,21,22)","","2011-07-13","2013-05-03","2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine","2013-05-08"],["QA0","5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid","C26 H18 Cl N O6 S","OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3C(=O)O)C(=O)O)c4ccc(cc4)Cl","InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)","","2023-03-28","2024-03-22","5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid","2024-03-27"],["QA1","Danazol","C22 H27 N O2","C21C(C(C#C)(CC1)O)(CCC3C2CCC=4C3(Cc5c(C=4)onc5)C)C;C[C]12Cc3cnoc3C=C1CC[CH]4[CH]2CC[C]5(C)[CH]4CC[C]5(O)C#C;CC12CCC3C(C1CCC2(C#C)O)CCC4=Cc5c(cno5)CC34C","InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1","(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8\n]phenanthro[3,2-d][1,2]oxazol-1-ol","2019-10-08","2020-10-16","(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol","2020-10-21"],["20L","(4-phenoxyphenyl)methylazanium","C13 H14 N O","O(c1ccccc1)c2ccc(cc2)C[NH3+];[NH3+]Cc1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)C[NH3+]","InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2/p+1","","2012-08-09","2014-09-05","(4-phenoxyphenyl)methanaminium","2012-09-28"],["QA2","N-[2-(4-aminophenyl)ethyl]adenosine","C18 H22 N6 O4","Nc1ccc(cc1)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;Nc1ccc(CCNc2ncnc3n(cnc23)[CH]4O[CH](CO)[CH](O)[CH]4O)cc1;c1cc(ccc1CCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)N","InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1","","2022-06-03","2023-01-06","N-[2-(4-aminophenyl)ethyl]adenosine","2023-01-11"],["20M","N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide","C22 H28 N6 O4 S2","O=S(=O)(N2CCC(N1CCCC1)CC2)c3ccc(cc3)CNC5=Nc4c(cncc4)S(=O)(=O)N5;O=[S]1(=O)NC(=Nc2ccncc12)NCc3ccc(cc3)[S](=O)(=O)N4CCC(CC4)N5CCCC5;c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5","InChI=1S/C22H28N6O4S2/c29-33(30)21-16-23-10-7-20(21)25-22(26-33)24-15-17-3-5-19(6-4-17)34(31,32)28-13-8-18(9-14-28)27-11-1-2-12-27/h3-7,10,16,18H,1-2,8-9,11-15H2,(H2,24,25,26)","","2013-08-13","2013-09-20","N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide","2013-09-25"],["QA3","4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid","C25 H18 Cl N O5 S","OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4O;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3C(=O)O)c4ccc(cc4O)Cl","InChI=1S/C25H18ClNO5S/c26-19-9-13-21(24(28)15-19)18-8-12-22(25(29)30)23(14-18)27-33(31,32)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)","","2023-03-28","2024-03-22","4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid","2024-03-27"],["20N","N-[4-(acetylamino)phenyl]cyclopropanecarboxamide","C12 H14 N2 O2","O=C(Nc1ccc(NC(=O)C)cc1)C2CC2;CC(=O)Nc1ccc(NC(=O)C2CC2)cc1;CC(=O)Nc1ccc(cc1)NC(=O)C2CC2","InChI=1S/C12H14N2O2/c1-8(15)13-10-4-6-11(7-5-10)14-12(16)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,13,15)(H,14,16)","","2013-08-13","2013-09-20","N-[4-(acetylamino)phenyl]cyclopropanecarboxamide","2013-09-25"],["QA4","2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","C19 H25 N7 O3 S2","N(C(CC1CC1)=O)c5nnc(OC4CCN(c2sc(nn2)NC(CC3CC3)=O)CC4)s5;O=C(CC1CC1)Nc2sc(OC3CCN(CC3)c4sc(NC(=O)CC5CC5)nn4)nn2;C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5","InChI=1S/C19H25N7O3S2/c27-14(9-11-1-2-11)20-16-22-24-18(30-16)26-7-5-13(6-8-26)29-19-25-23-17(31-19)21-15(28)10-12-3-4-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)","","2019-10-09","2020-10-09","2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","2020-10-14"],["20O","(1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide","C21 H18 N2 O3 S","O=S(=O)(c1ccccc1)c2ccc(cc2)NC(=O)C4CC4c3cccnc3;O=C(Nc1ccc(cc1)[S](=O)(=O)c2ccccc2)[CH]3C[CH]3c4cccnc4;c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)C3CC3c4cccnc4","InChI=1S/C21H18N2O3S/c24-21(20-13-19(20)15-5-4-12-22-14-15)23-16-8-10-18(11-9-16)27(25,26)17-6-2-1-3-7-17/h1-12,14,19-20H,13H2,(H,23,24)/t19-,20+/m1/s1","","2013-08-13","2013-09-20","(1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide","2013-09-25"],["QA5","2-[4-[4-ethanoyl-5-methyl-3-(3-methylbutyl)-1~{H}-pyrrol-2-yl]-1,3-thiazol-2-yl]guanidine","C16 H23 N5 O S","CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2;Cc1c(c(c([nH]1)c2csc(n2)N=C(N)N)CCC(C)C)C(=O)C","InChI=1S/C16H23N5OS/c1-8(2)5-6-11-13(10(4)22)9(3)19-14(11)12-7-23-16(20-12)21-15(17)18/h7-8,19H,5-6H2,1-4H3,(H4,17,18,20,21)","","2023-08-24","2024-09-06","2-[4-[4-ethanoyl-5-methyl-3-(3-methylbutyl)-1~{H}-pyrrol-2-yl]-1,3-thiazol-2-yl]guanidine","2024-09-11"],["20P","(1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide","C15 H14 N2 O","O=C(Nc1ccncc1)C3CC3c2ccccc2;O=C(Nc1ccncc1)[CH]2C[CH]2c3ccccc3;c1ccc(cc1)C2CC2C(=O)Nc3ccncc3","InChI=1S/C15H14N2O/c18-15(17-12-6-8-16-9-7-12)14-10-13(14)11-4-2-1-3-5-11/h1-9,13-14H,10H2,(H,16,17,18)/t13-,14+/m1/s1","","2013-08-13","2013-09-20","(1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide","2013-09-25"],["QA6","N-[3-(4-hydroxyphenyl)propyl]adenosine","C19 H23 N5 O5","Oc1ccc(cc1)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCCc4ccc(O)cc4)ncnc23;c1cc(ccc1CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)O","InChI=1S/C19H23N5O5/c25-8-13-15(27)16(28)19(29-13)24-10-23-14-17(21-9-22-18(14)24)20-7-1-2-11-3-5-12(26)6-4-11/h3-6,9-10,13,15-16,19,25-28H,1-2,7-8H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1","","2022-06-03","2023-01-06","N-[3-(4-hydroxyphenyl)propyl]adenosine","2023-01-11"],["20Q","(3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one","C22 H22 Cl2 N2 O2","O=C(N4CCCC(C2(c1ccc(Cl)cc1NC2=O)Cc3cccc(Cl)c3)C4)C;CC(=O)N1CCC[CH](C1)[C]2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24;CC(=O)N1CCCC(C1)C2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl","InChI=1S/C22H22Cl2N2O2/c1-14(27)26-9-3-5-16(13-26)22(12-15-4-2-6-17(23)10-15)19-8-7-18(24)11-20(19)25-21(22)28/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,25,28)/t16-,22-/m0/s1","","2013-08-13","2014-07-11","(3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one","2014-07-16"],["20R","N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","C20 H16 N4 O3 S","O=S(=O)(c1ccccc1)c2ccc(cc2)CNC(=O)c3cc4cnnc4nc3;O=C(NCc1ccc(cc1)[S](=O)(=O)c2ccccc2)c3cnc4n[nH]cc4c3;c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3","InChI=1S/C20H16N4O3S/c25-20(16-10-15-13-23-24-19(15)21-12-16)22-11-14-6-8-18(9-7-14)28(26,27)17-4-2-1-3-5-17/h1-10,12-13H,11H2,(H,22,25)(H,21,23,24)","","2013-08-13","2013-09-20","N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","2013-09-25"],["QA7","5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine","C16 H22 N5 O9 P","CC(C)CC(C(=O)OP(OCC1OC(C(C1O)O)n3cnc2c(N)ncnc23)(=O)O)=O;CC(C)CC(=O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)CC(=O)C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C16H22N5O9P/c1-7(2)3-8(22)16(25)30-31(26,27)28-4-9-11(23)12(24)15(29-9)21-6-20-10-13(17)18-5-19-14(10)21/h5-7,9,11-12,15,23-24H,3-4H2,1-2H3,(H,26,27)(H2,17,18,19)/t9-,11-,12-,15-/m1/s1","","2019-10-09","2020-02-14","5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine","2020-02-19"],["20S","BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-ALPHA-D-GLUCOPYRANOSIDE","C20 H36 O12","O=C(OCC2OC(OC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2O)CCCCCCC;CCCCCCCC(=O)OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-14(24)16(26)17(27)19(30-12)32-20(10-22)18(28)15(25)11(8-21)31-20/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1","","2006-01-05","2020-07-17","beta-D-fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside",""],["QA8","(3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid","C7 H10 O5","CC[CH](CC(O)=O)C(=O)C(O)=O;CCC(CC(=O)O)C(=O)C(=O)O","InChI=1S/C7H10O5/c1-2-4(3-5(8)9)6(10)7(11)12/h4H,2-3H2,1H3,(H,8,9)(H,11,12)/t4-/m1/s1","3-ethyl-2-oxoglutarate","2020-05-29","2025-01-27","(3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid","2021-03-17"],["20T","1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C26 H24 F3 N4 O10 P S","FC(F)(F)c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)C5OC(C(O)C5O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2ncc3cc(cnc23)C(=O)NCc4ccc(cc4)[S](=O)(=O)c5cccc(c5)C(F)(F)F;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)C5C(C(C(O5)COP(=O)(O)O)O)O)C(F)(F)F","InChI=1S/C26H24F3N4O10PS/c27-26(28,29)17-2-1-3-19(9-17)45(40,41)18-6-4-14(5-7-18)10-31-24(36)16-8-15-12-32-33(23(15)30-11-16)25-22(35)21(34)20(43-25)13-42-44(37,38)39/h1-9,11-12,20-22,25,34-35H,10,13H2,(H,31,36)(H2,37,38,39)/t20-,21-,22-,25-/m1/s1","","2013-08-13","2013-09-20","1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2013-09-25"],["QA9","1-(4-aminophenyl)sulfonylguanidine","C7 H10 N4 O2 S","NC(=N)N[S](=O)(=O)c1ccc(N)cc1;c1cc(ccc1N)S(=O)(=O)NC(=N)N","InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)","","2022-10-17","2023-03-03","1-(4-aminophenyl)sulfonylguanidine","2023-03-08"],["20U","(2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","C30 H29 Cl2 F N4 O3","O=C(N)c1ccc(cc1)NC(=O)C5NC(C2(c3c(NC2=O)cc(Cl)cc3)C5c4cccc(Cl)c4F)CC(C)(C)C;CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]13C(=O)Nc4cc(Cl)ccc34)C(=O)Nc5ccc(cc5)C(N)=O;CC(C)(C)CC1C2(c3ccc(cc3NC2=O)Cl)C(C(N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl","InChI=1S/C30H29Cl2FN4O3/c1-29(2,3)14-22-30(19-12-9-16(31)13-21(19)36-28(30)40)23(18-5-4-6-20(32)24(18)33)25(37-22)27(39)35-17-10-7-15(8-11-17)26(34)38/h4-13,22-23,25,37H,14H2,1-3H3,(H2,34,38)(H,35,39)(H,36,40)/t22-,23-,25+,30+/m0/s1","","2013-08-13","2014-07-11","(2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","2014-07-16"],["QAA","2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide","C29 H29 N7 O3","c1cc(nnc1NC(Cc2ccccc2)=O)OC5CCN(c3nnc(cc3)NC(=O)Cc4ccccc4)CC5;O=C(Cc1ccccc1)Nc2ccc(OC3CCN(CC3)c4ccc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5","InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38)","","2019-10-09","2020-10-09","2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide","2020-10-14"],["QAB","2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid","C9 H11 N O2 S","O=C(O)c1c2c(sc1N)CCCC2;Nc1sc2CCCCc2c1C(O)=O;C1CCc2c(c(c(s2)N)C(=O)O)C1","InChI=1S/C9H11NO2S/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4,10H2,(H,11,12)","","2011-08-22","2012-07-27","2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid",""],["20V","3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic\nacid","C18 H15 N4 O14 P S2","O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O;Cc1nc(N=Nc2cc3c(cc(cc3[S](O)(=O)=O)[N+]([O-])=O)c(c2)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(c(n1)N=Nc2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O","InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+","PPNDS; Pyridoxal-5'-phosphate-6-(2'-naphthylazo-6'-nitro-4',8'-disulfonic acid)","2013-08-13","2020-06-17","3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid","2014-02-12"],["20W","(2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide","C29 H29 Cl2 F N4 O4 S","O=C(N)c1ccc(c(OC)c1)NC(=O)C5NC(C3(C(=O)Nc2cc(Cl)sc23)C5c4cccc(Cl)c4F)CC(C)(C)C;COc1cc(ccc1NC(=O)[CH]2N[CH](CC(C)(C)C)[C]3([CH]2c4cccc(Cl)c4F)C(=O)Nc5cc(Cl)sc35)C(N)=O;CC(C)(C)CC1C2(c3c(cc(s3)Cl)NC2=O)C(C(N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl","InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39)/t19-,21-,23+,29+/m0/s1","","2013-08-13","2014-06-27","(2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide","2014-07-02"],["QAC","N-[4-(hydroxymethyl)benzoyl]-beta-alanine","C11 H13 N O4","O=C(O)CCNC(=O)c1ccc(cc1)CO;OCc1ccc(cc1)C(=O)NCCC(O)=O;c1cc(ccc1CO)C(=O)NCCC(=O)O","InChI=1S/C11H13NO4/c13-7-8-1-3-9(4-2-8)11(16)12-6-5-10(14)15/h1-4,13H,5-7H2,(H,12,16)(H,14,15)","","2014-10-01","2024-09-27","N-[4-(hydroxymethyl)benzoyl]-beta-alanine","2014-12-03"],["20X","N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 F N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(F)cc2;OC[CH]1O[CH](NC(=S)NN=Cc2ccc(F)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)F","InChI=1S/C14H18FN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1","4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone;\nN-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-04-30","2020-07-17","N-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QAD","4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid","C14 H14 O5 S","O=C(CCC(=O)c2sc1cc(OC)c(cc1c2)OC)O;COc1cc2sc(cc2cc1OC)C(=O)CCC(O)=O;COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O","InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)","","2019-10-09","2020-08-14","4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid","2020-08-19"],["QAE","6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one","C17 H18 Cl N3 O S","CCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1;CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl","InChI=1S/C17H18ClN3OS/c1-2-3-4-5-16-20-13(10-23-16)9-21-11-19-15-7-6-12(18)8-14(15)17(21)22/h6-8,10-11H,2-5,9H2,1H3","","2020-05-29","2020-09-11","6-chloranyl-3-[(2-pentyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one","2020-09-16"],["20Y","4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide","C19 H17 N3 O2 S","O=C(Nc1ccc(cc1)C(=O)Nc2c(N)ccc(c2)c3sccc3)C;CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3;CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3","InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)","","2013-08-14","2013-08-16","4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide","2013-08-21"],["QAF","{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)","C13 H16 N O6 P2","[O-]P([O-])(=O)C(P([O-])([O-])=O)C[n+]1cccc(C#CCCCC)c1;CCCCC#Cc1ccc[n+](CC([P]([O-])([O-])=O)[P]([O-])([O-])=O)c1;CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]","InChI=1S/C13H19NO6P2/c1-2-3-4-5-7-12-8-6-9-14(10-12)11-13(21(15,16)17)22(18,19)20/h6,8-10,13H,2-4,11H2,1H3,(H3-,15,16,17,18,19,20)/p-3","","2015-01-02","2015-10-23","{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)","2015-10-28"],["20Z","4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C20 H16 N4 O3 S2","O=S(=O)(N)c4ccc(Nc1nc(c(s1)C(=O)c3cc2ccccc2cc3)N)cc4;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N","InChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27)","","2011-04-21","2012-10-26","4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["210","PAMIDRONATE","C3 H11 N O7 P2","O=P(O)(O)C(O)(CCN)P(=O)(O)O;NCCC(O)([P](O)(O)=O)[P](O)(O)=O;C(CN)C(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)","(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID","2006-01-11","2020-06-17","(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid)",""],["QAG","4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile","C24 H16 F N5 O S","N#CC=[C@H]c4cc(C)c(Oc2c1sccc1nc(n2)Nc3cc(F)c(C#N)cc3)c(c4)C;Cc1cc(C=CC#N)cc(C)c1Oc2nc(Nc3ccc(C#N)c(F)c3)nc4ccsc24;Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)C=CC#N","InChI=1S/C24H16FN5OS/c1-14-10-16(4-3-8-26)11-15(2)21(14)31-23-22-20(7-9-32-22)29-24(30-23)28-18-6-5-17(13-27)19(25)12-18/h3-7,9-12H,1-2H3,(H,28,29,30)/b4-3+","","2019-10-09","2020-01-31","4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile","2020-02-05"],["211","2,2',2''-NITRILOTRIETHANOL","C6 H15 N O3","OCCN(CCO)CCO;OCCN(CCO)CCO;C(CO)N(CCO)CCO","InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2","","2006-07-14","2011-06-04","2,2',2''-nitrilotriethanol",""],["QAH","[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate","C11 H19 N O10 S","OC[CH]1O[CH](OCC(=N)[CH](O)C=C)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;C=CC(C(=N)COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)O","InChI=1S/C11H19NO10S/c1-2-6(14)5(12)4-20-11-9(16)10(22-23(17,18)19)8(15)7(3-13)21-11/h2,6-16H,1,3-4H2,(H,17,18,19)/b12-5+/t6-,7+,8-,9+,10-,11+/m0/s1","","2020-05-30","2020-12-25","[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate","2020-12-30"],["212","ALENDRONATE","C4 H13 N O7 P2","O=P(O)(O)C(O)(CCCN)P(=O)(O)O;NCCCC(O)([P](O)(O)=O)[P](O)(O)=O;C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN","InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)","(4-AMINO-1-HYDROXY-1-PHOSPHONO-BUTYL)PHOSPHONIC ACID","2006-01-11","2021-03-01","(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)","2015-12-09"],["QAI","5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid","C23 H16 Cl N O4 S2","OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(sc3C(=O)O)c4ccc(cc4)Cl","InChI=1S/C23H16ClNO4S2/c24-18-10-6-17(7-11-18)21-14-20(22(30-21)23(26)27)25-31(28,29)19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-14,25H,(H,26,27)","","2023-03-29","2024-03-22","5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid","2024-03-27"],["213","4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID","C34 H29 F2 N3 O6 P2","O=P(O)(O)c1cccc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O;O[P](O)(=O)c1cccc(c1)c2ccc(C[C](Cc3ccc(cc3)C(F)(F)[P](O)(O)=O)(n4nnc5ccccc45)c6ccccc6)cc2;c1ccc(cc1)C(Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5","InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)/t33-/m1/s1","","2003-08-18","2011-06-04","{4'-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]biphenyl-3-yl}phosphonic acid",""],["QAJ","2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide","C23 H24 N10 O2 S2","N1(CCC(CC1)Nc3nnc(NC(Cc2cccnc2)=O)s3)c4sc(nn4)NC(=O)Cc5cccnc5;O=C(Cc1cccnc1)Nc2sc(NC3CCN(CC3)c4sc(NC(=O)Cc5cccnc5)nn4)nn2;c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5","InChI=1S/C23H24N10O2S2/c34-18(11-15-3-1-7-24-13-15)27-21-30-29-20(36-21)26-17-5-9-33(10-6-17)23-32-31-22(37-23)28-19(35)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,29)(H,27,30,34)(H,28,31,35)","","2019-10-10","2020-10-09","2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide","2020-10-14"],["214","6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID","C38 H32 F2 N4 O6 P2","O=P(O)(O)c1c7nc(ccc7cc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O)C;Cc1ccc2cc(cc(c2n1)[P](O)(O)=O)c3ccc(C[C](Cc4ccc(cc4)C(F)(F)[P](O)(O)=O)(n5nnc6ccccc56)c7ccccc7)cc3;Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)CC(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6","InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50)/t37-/m1/s1","","2003-08-19","2011-06-04","(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methylquinolin-8-yl)phosphonic acid",""],["QAK","(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol","C40 H78 O","CC(C)CC=C[CH](C)CC=C[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)(C)O;CC(C)CC=CC(C)CC=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)(C)O","InChI=1S/C40H78O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1","","2020-05-30","2021-01-08","(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol","2021-01-13"],["QAM","N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide","C17 H19 N7 O2 S2","N(c3sc(OC1CCN(CC1)c2sc(N)nn2)nn3)C(Cc4ccccc4)=O;Nc1sc(nn1)N2CCC(CC2)Oc3sc(NC(=O)Cc4ccccc4)nn3;c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N","InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25)","","2019-10-10","2020-10-09","N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide","2020-10-14"],["215","(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME","C27 H27 N5 O2","ON=C5/c4ccc(c2nc(c1ccc(OCCN(C)C)cc1)nc2c3ccncc3)cc4CC5;CN(C)CCOc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc5c(CCC5=NO)c4;CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc4c(c3)CCC4=NO)c5ccncc5","InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24-","","2006-01-11","2011-06-04","(1Z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime",""],["QAN","(3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide","C26 H33 N5 O3","CN1CC[CH](Nc2ncc(c3occc3)c4C=C(C)C(=O)Nc24)[CH](C1)C(=O)NC5CCCCC5;CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3C(=O)NC4CCCCC4)C)c5ccco5","InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1","","2020-06-01","2020-07-24","(3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide","2020-07-29"],["216","[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE","C25 H30 N2 O3","O=C1N(C(C(O)C(O)C(N1C/C=C)Cc2ccccc2)Cc3ccccc3)CC=C;O[CH]1[CH](O)[CH](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[CH]1Cc3ccccc3;C=CCN1C(C(C(C(N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3","InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1","XK216","1999-07-08","2021-03-01","(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diprop-2-en-1-yl-1,3-diazepan-2-one",""],["QAO","2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide","C23 H19 Cl2 F6 N3 O2 S","FS(F)(F)(F)(F)c1ccc(cc1)N(C(=O)C(Cl)Cl)C(c1cccnc1)C(=O)NCCc1cccc(F)c1;Fc1cccc(CCNC(=O)[CH](N(C(=O)C(Cl)Cl)c2ccc(cc2)[S](F)(F)(F)(F)F)c3cccnc3)c1;c1cc(cc(c1)F)CCNC(=O)C(c2cccnc2)N(c3ccc(cc3)S(F)(F)(F)(F)F)C(=O)C(Cl)Cl","InChI=1S/C23H19Cl2F6N3O2S/c24-21(25)23(36)34(18-6-8-19(9-7-18)37(27,28,29,30)31)20(16-4-2-11-32-14-16)22(35)33-12-10-15-3-1-5-17(26)13-15/h1-9,11,13-14,20-21H,10,12H2,(H,33,35)/t20-/m1/s1","","2022-06-03","2024-09-27","2,2-dichloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide","2023-06-07"],["217","(2S)-HEX-5-ENE-1,2-DIOL","C6 H12 O2","OCC(O)CCC=C;OC[CH](O)CCC=C;C=CCCC(CO)O","InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2/t6-/m0/s1","","2006-03-03","2011-06-04","(2S)-hex-5-ene-1,2-diol",""],["QAP","2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","C17 H16 O4","O=C(OCCc1ccccc1)C=Cc2cc(O)c(O)cc2;Oc1ccc(C=CC(=O)OCCc2ccccc2)cc1O;c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O","InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+","","2012-01-13","2013-02-08","2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","2013-02-08"],["218","1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM","C14 H19 N4 O","n1c(N)c(cnc1C)C[n+]2cccc(c2C)CCO;Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1;Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO","InChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1","","2006-07-24","2011-06-04","1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium",""],["219","cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate","C14 H19 O5 P","c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O;O[P](=O)(OCC1CCCCC1)Oc2ccccc2C=O;c1ccc(c(c1)C=O)OP(=O)(O)OCC2CCCCC2","InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17)","PAS219","2003-06-20","2024-09-27","cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate",""],["QAQ","[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile","C18 H14 N8 O","N#CCNc1ncnc(n1)n3c4ccccc4nc3Nc2cccc(O)c2;Oc1cccc(Nc2nc3ccccc3n2c4ncnc(NCC#N)n4)c1;c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O","InChI=1S/C18H14N8O/c19-8-9-20-16-21-11-22-17(25-16)26-15-7-2-1-6-14(15)24-18(26)23-12-4-3-5-13(27)10-12/h1-7,10-11,27H,9H2,(H,23,24)(H,20,21,22,25)","2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile","2011-01-13","2020-06-17","[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile",""],["QAR","1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine","C14 H13 N9","n1c(nc(nc1n2c4ccccc4nc2Nc3nncc3)N)C;Cc1nc(N)nc(n1)n2c(Nc3cc[nH]n3)nc4ccccc24;Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N","InChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22)","1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine","2011-01-13","2020-06-17","1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine",""],["21A","6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol","C18 H12 F N5 O2","Fc1ccc(cc1)c4nc(O)c(O)cc4c3ccc(c2nnnn2)cc3;Oc1cc(c2ccc(cc2)c3[nH]nnn3)c(nc1O)c4ccc(F)cc4;c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4","InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)","","2013-08-14","2013-09-13","6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol","2013-09-18"],["21B","Nortriptyline","C19 H21 N","c3cc2c(/C(c1c(cccc1)CC2)=C/CCNC)cc3;CNCCC=C1c2ccccc2CCc3ccccc13;CNCCC=C1c2ccccc2CCc3c1cccc3","InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine","2013-08-14","2021-03-13","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine","2013-09-18"],["QAS"," 6-mercaptopyridine-2,3-dicarboxylic acid","C7 H5 N O4 S","OC(=O)c1ccc(S)nc1C(O)=O;c1cc(nc(c1C(=O)O)C(=O)O)S","InChI=1S/C7H5NO4S/c9-6(10)3-1-2-4(13)8-5(3)7(11)12/h1-2H,(H,8,13)(H,9,10)(H,11,12)","","2018-10-26","2019-03-15","6-sulfanylpyridine-2,3-dicarboxylic acid","2019-03-20"],["21C","N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide","C15 H21 Cl2 N3 O4 S","O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2O;CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(Cl)c(Cl)cc2O;CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl","InChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3","","2013-08-14","2024-09-27","N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide","2013-11-27"],["QAT","5-mercaptopyridine-2,3-dicarboxylic acid","C7 H5 N O4 S","OC(=O)C1=C(N=CC(=S)C1)C(O)=O;C1C(=S)C=NC(=C1C(=O)O)C(=O)O","InChI=1S/C7H5NO4S/c9-6(10)4-1-3(13)2-8-5(4)7(11)12/h2H,1H2,(H,9,10)(H,11,12)","","2018-10-29","2019-03-15","5-sulfanylidene-4~{H}-pyridine-2,3-dicarboxylic acid","2019-03-20"],["21D","naphthalene-1,5-disulfonic acid","C10 H8 O6 S2","O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O;O[S](=O)(=O)c1cccc2c1cccc2[S](O)(=O)=O;c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O","InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)","","2013-08-14","2014-02-07","naphthalene-1,5-disulfonic acid","2014-02-12"],["QAU","3-oxidanylbenzenesulfonamide","C6 H7 N O3 S","N[S](=O)(=O)c1cccc(O)c1;c1cc(cc(c1)S(=O)(=O)N)O","InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H,(H2,7,9,10)","","2022-10-17","2023-03-03","3-oxidanylbenzenesulfonamide","2023-03-08"],["QAV","4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)","C29 H28 O8 S2","OC(CCC(=O)c1sc2cc(OC)c(cc2c1)CCCc4cc3cc(sc3cc4OC)C(CCC(O)=O)=O)=O;COc1cc2sc(cc2cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O","InChI=1S/C29H28O8S2/c1-36-22-14-24-18(12-26(38-24)20(30)6-8-28(32)33)10-16(22)4-3-5-17-11-19-13-27(21(31)7-9-29(34)35)39-25(19)15-23(17)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)","","2019-10-10","2020-08-14","4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)","2020-08-19"],["21E","5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide","C17 H19 N5 O","O=C(c3c(N)n(nc3c1nc2c(cc1)cccc2)C(C)(C)C)N;CC(C)(C)n1nc(c2ccc3ccccc3n2)c(C(N)=O)c1N;CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N","InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)12-9-8-10-6-4-5-7-11(10)20-12/h4-9H,18H2,1-3H3,(H2,19,23)","","2013-08-15","2013-09-27","5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide","2013-10-02"],["21F","N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide","C16 H23 Cl I N3 O4 S","O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(I)c(Cl)cc2OC;CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(I)c(Cl)cc2OC;CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I","InChI=1S/C16H23ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h8-9,11,19-20H,3-7,10H2,1-2H3","","2013-08-15","2024-09-27","N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide","2013-11-27"],["QAX","6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol","C17 H23 N3 O3","Oc1ncnc2cc(OCCCN3CCCCC3)c(OC)cc21;COc1cc2c(O)ncnc2cc1OCCCN3CCCCC3;COc1cc2c(cc1OCCCN3CCCCC3)ncnc2O","InChI=1S/C17H23N3O3/c1-22-15-10-13-14(18-12-19-17(13)21)11-16(15)23-9-5-8-20-6-3-2-4-7-20/h10-12H,2-9H2,1H3,(H,18,19,21)","","2022-06-05","2022-11-25","6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol","2022-11-30"],["QAY","8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one","C12 H12 N6 O","NCCc1cnn(c1)c2nccc3C(=O)NC=Nc23;c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN","InChI=1S/C12H12N6O/c13-3-1-8-5-17-18(6-8)11-10-9(2-4-14-11)12(19)16-7-15-10/h2,4-7H,1,3,13H2,(H,15,16,19)","","2015-12-03","2016-01-15","8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["21G","(2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid","C20 H19 F2 N5 O2","O=C(O)C5C1CCC(CC1)C5Nc2nc(ncc2F)c4c3cc(F)cnc3nc4;OC(=O)[CH]1C2CCC(CC2)[CH]1Nc3nc(ncc3F)c4c[nH]c5ncc(F)cc45;c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)NC4C5CCC(C4C(=O)O)CC5)F)F","InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9-,10+,15-,16-/m0/s1","3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid; VX787; (2S,3S)-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid","2014-03-03","2020-11-26","(1R,2S,3S,4R)-3-{[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino}bicyclo[2.2.2]octane-2-carboxylic acid","2014-07-30"],["QAZ","(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide","C21 H29 N5 O2","CC1=Cc2ccnc(N[CH]3CCNC[CH]3C(=O)NC4CCCCC4)c2NC1=O;CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3C(=O)NC4CCCCC4","InChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1","(3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide","2020-06-01","2020-07-24","(3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide","2020-07-29"],["21H","oxydimethanol","C2 H6 O3","OCOCO;OCOCO;C(O)OCO","InChI=1S/C2H6O3/c3-1-5-2-4/h3-4H,1-2H2","","2013-08-16","2014-01-10","oxydimethanol","2014-01-15"],["21I","~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide","C24 H25 N7 O2","CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)C5CCC5;CCC(=O)Nc1cc(cc(c1)C(=O)NCc2cn(nn2)C3CCC3)c4c5ccccc5[nH]n4","InChI=1S/C24H25N7O2/c1-2-22(32)26-17-11-15(23-20-8-3-4-9-21(20)28-29-23)10-16(12-17)24(33)25-13-18-14-31(30-27-18)19-6-5-7-19/h3-4,8-12,14,19H,2,5-7,13H2,1H3,(H,25,33)(H,26,32)(H,28,29)","","2021-06-15","2024-09-27","~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide","2022-07-20"],["QB0","phenylsulfonylcarbamodithioic acid","C7 H7 N O2 S3","SC(=S)N[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)NC(=S)S","InChI=1S/C7H7NO2S3/c9-13(10,8-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,8,11,12)","","2022-10-17","2023-03-03","phenylsulfonylcarbamodithioic acid","2023-03-08"],["QB1","4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid","C29 H28 O10 S2","O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4)OC;COc1cc2sc(cc2cc1OCCCOc3cc4sc(cc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O","InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)41-25(16)15-23(20)39-9-3-8-38-22-11-17-13-27(19(31)5-7-29(34)35)40-24(17)14-21(22)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)","","2019-10-10","2020-08-14","4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid","2020-08-19"],["21J","N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide","C18 H24 Cl2 N2 O6 S","O=S(=O)(NC3CCN(C(=O)COc2c(Cl)cc(Cl)c1OC(Oc12)(C)C)CC3)CC;CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2c(Cl)cc(Cl)c3OC(C)(C)Oc23;CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl","InChI=1S/C18H24Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h9,11,21H,4-8,10H2,1-3H3","","2013-08-16","2024-09-27","N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide","2013-11-27"],["21K","N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide","C15 H21 Cl2 N3 O3 S","O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2ccc(Cl)cc2Cl;CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(Cl)cc2Cl;CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl","InChI=1S/C15H21Cl2N3O3S/c1-2-24(22,23)19-12-5-7-20(8-6-12)15(21)10-18-14-4-3-11(16)9-13(14)17/h3-4,9,12,18-19H,2,5-8,10H2,1H3","","2013-08-19","2024-09-27","N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide","2013-11-27"],["QB2","2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid","C22 H18 Cl2 F3 N3 O6 S","OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](OCC(O)=O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(c(cc1SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)OCC(=O)O)Cl)Cl","InChI=1S/C22H18Cl2F3N3O6S/c23-11-2-1-10(5-12(11)24)37-22-21(35-8-17(32)33)19(20(34)16(7-31)36-22)30-6-15(28-29-30)9-3-13(25)18(27)14(26)4-9/h1-6,16,19-22,31,34H,7-8H2,(H,32,33)/t16-,19+,20+,21-,22-/m1/s1","","2023-03-29","2024-03-22","2-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid","2024-03-27"],["QB3","6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol","C16 H21 N3 O3","CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1;COc1cc2c(O)ncnc2cc1OCC3CCN(C)CC3;CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)O","InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20)","","2022-06-05","2022-11-25","6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol","2022-11-30"],["21L","methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate","C32 H29 N O9","O=C(OC)CCc2cc1c(cccc1)c(c2)CNC(=O)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C;COC(=O)CCc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC4=CC(=C(C(C)=O)C(=O)[C]34C)O)c5ccccc5c1;CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O","InChI=1S/C32H29NO9/c1-16(34)26-21(35)14-24-32(2,30(26)38)28-22(36)13-23(40-3)27(29(28)42-24)31(39)33-15-19-12-17(9-10-25(37)41-4)11-18-7-5-6-8-20(18)19/h5-8,11-14,35-36H,9-10,15H2,1-4H3,(H,33,39)/t32-/m1/s1","","2012-01-17","2012-01-27","methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate",""],["QB4","(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile","C21 H19 F N6 O2","Fc3ccc2C(=O)N(Cc1nn(c(C#N)c1c4cc(OC(c2c3)C)c(nc4)N)C)C;C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N;CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F","InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1","","2014-01-15","2014-09-14","(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile","2014-05-28"],["21M","N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide","C15 H20 Cl2 N2 O4 S","O=C(N1CCC(NS(=O)(=O)CC)CC1)COc2ccc(Cl)cc2Cl;CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl;CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl","InChI=1S/C15H20Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h3-4,9,12,18H,2,5-8,10H2,1H3","","2013-08-19","2024-09-27","N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide","2013-11-27"],["21N","N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine","C15 H18 F3 N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C(F)(F)F;OC[CH]1O[CH](NC(=S)NN=Cc2ccc(cc2)C(F)(F)F)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)C(F)(F)F","InChI=1S/C15H18F3N3O5S/c16-15(17,18)8-3-1-7(2-4-8)5-19-21-14(27)20-13-12(25)11(24)10(23)9(6-22)26-13/h1-5,9-13,22-25H,6H2,(H2,20,21,27)/b19-5+/t9-,10-,11+,12-,13-/m1/s1","4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone","2010-05-03","2021-03-01","N-({(2E)-2-[4-(trifluoromethyl)benzylidene]hydrazinyl}carbothioyl)-beta-D-glucopyranosylamine",""],["QB5","N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide","C21 H22 N4 O3","CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3;CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3","InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26)","4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide","2020-06-01","2021-03-01","4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide","2020-07-29"],["QB6","3-azanyl-4-oxidanyl-benzenesulfonamide","C6 H8 N2 O3 S","Nc1cc(ccc1O)[S](N)(=O)=O;c1cc(c(cc1S(=O)(=O)N)N)O","InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)","","2022-10-17","2023-03-03","3-azanyl-4-oxidanyl-benzenesulfonamide","2023-03-08"],["21O","{(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid","C19 H15 F3 O5","FC(F)(F)c2ccc(C(=O)CC(c1ccccc1)C(C(=O)O)C(=O)O)cc2;OC(=O)C([CH](CC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2)C(O)=O;c1ccc(cc1)C(CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O","InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)/t14-/m0/s1","","2012-05-30","2014-09-05","{(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid","2012-09-28"],["QB7","4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid","C29 H27 F O10 S2","O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4F)OC;COc1cc2cc(sc2cc1OCCCOc3c(F)c4cc(sc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O","InChI=1S/C29H27FO10S2/c1-37-19-10-15-11-24(17(31)4-6-26(33)34)41-22(15)13-20(19)39-8-3-9-40-29-21(38-2)14-23-16(28(29)30)12-25(42-23)18(32)5-7-27(35)36/h10-14H,3-9H2,1-2H3,(H,33,34)(H,35,36)","","2019-10-10","2020-08-14","4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid","2020-08-19"],["21P","4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid","C21 H26 O4 Si2","O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)[Si](C[Si]4(C)C)(C)C;C[Si]1(C)C[Si](C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O;C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C","InChI=1S/C21H26O4Si2/c1-26(2)14-27(3,4)19-13-17(9-10-18(19)26)21(24-11-12-25-21)16-7-5-15(6-8-16)20(22)23/h5-10,13H,11-12,14H2,1-4H3,(H,22,23)","","2009-01-21","2011-06-04","4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid",""],["QB8","~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide","C20 H17 N7 O","CC(=O)Nc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1;CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)","","2020-06-02","2020-07-24","~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide","2020-07-29"],["21Q","4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","C20 H27 N3 O5 S","O=C(c1c(c(c(n1)C)C(=O)C)CC)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC;CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1;CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C","InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)","","2013-08-19","2014-01-10","4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","2014-01-15"],["21R","N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide","C17 H25 Cl2 N3 O3 S","O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2CC;CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC;CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl","InChI=1S/C17H25Cl2N3O3S/c1-3-12-9-14(18)15(19)10-16(12)20-11-17(23)22-7-5-13(6-8-22)21-26(24,25)4-2/h9-10,13,20-21H,3-8,11H2,1-2H3","","2013-08-21","2024-09-27","N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide","2013-11-27"],["QB9","~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide","C10 H12 N4 O3 S","NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2;C1CC1S(=O)(=O)NCC#CC2=CNC(=O)N=C2N","InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15)","N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide","2023-08-29","2024-09-06","~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide","2024-09-11"],["QBA","4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)","C29 H28 O10 S2","O=C(O)CCC(=O)c1cc2c(s1)cc(c(c2)OC)OCCCOc3c(cc4c(c3)sc(C(=O)CCC(O)=O)c4)OC;COc1cc2cc(sc2cc1OCCCOc3cc4sc(cc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O","InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)40-24(16)14-22(20)38-8-3-9-39-23-15-25-17(11-21(23)37-2)13-27(41-25)19(31)5-7-29(34)35/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)","","2019-10-10","2020-08-14","4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)","2020-08-19"],["21S","N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide","C15 H19 Cl2 N5 O3 S2","O=S(=O)(NC3CCN(C(=O)CNc1c(Cl)cc(Cl)c2nsnc12)CC3)CC;CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2c(Cl)cc(Cl)c3nsnc23;CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl","InChI=1S/C15H19Cl2N5O3S2/c1-2-27(24,25)21-9-3-5-22(6-4-9)12(23)8-18-13-10(16)7-11(17)14-15(13)20-26-19-14/h7,9,18,21H,2-6,8H2,1H3","","2013-08-21","2024-09-27","N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide","2013-11-27"],["21T","4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid","C25 H31 N3 O3","O=C(O)c1ccc(cc1)n2ncc(c2C(C)(C)C)C(=O)NC5C3CC4CC(C3)CC5C4;CC(C)(C)c1n(ncc1C(=O)NC2C3CC4CC(C3)CC2C4)c5ccc(cc5)C(O)=O;CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5","InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)/t14-,15+,17-,18+,21-","","2014-03-07","2014-09-05","4-{5-tert-butyl-4-[(1R,2s,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-ylcarbamoyl]-1H-pyrazol-1-yl}benzoic acid","2014-04-30"],["QBB","4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide","C16 H15 F N2 O","Fc1ccc(cc1)C(=O)Nc2ccc3c(c2)CNCC3;Fc1ccc(cc1)C(=O)Nc2ccc3CCNCc3c2;c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F","InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20)","","2014-05-21","2014-10-03","4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide","2014-10-08"],["QBC","7-chloroquinolin-4-amine","C9 H7 Cl N2","Clc1cc2nccc(N)c2cc1;Nc1ccnc2cc(Cl)ccc12;c1cc2c(ccnc2cc1Cl)N","InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)","","2022-06-06","2023-11-03","7-chloroquinolin-4-amine","2023-11-08"],["21U","D-leucyl-N-(3-chlorobenzyl)-L-prolinamide","C18 H26 Cl N3 O2","O=C(NCc1cccc(Cl)c1)C2N(C(=O)C(N)CC(C)C)CCC2;CC(C)C[CH](N)C(=O)N1CCC[CH]1C(=O)NCc2cccc(Cl)c2;CC(C)CC(C(=O)N1CCCC1C(=O)NCc2cccc(c2)Cl)N","InChI=1S/C18H26ClN3O2/c1-12(2)9-15(20)18(24)22-8-4-7-16(22)17(23)21-11-13-5-3-6-14(19)10-13/h3,5-6,10,12,15-16H,4,7-9,11,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1","","2008-01-21","2011-06-04","D-leucyl-N-(3-chlorobenzyl)-L-prolinamide",""],["QBD","4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid","C29 H28 O8 S2","OC(CCC(=O)c1sc2c(c1)cc(c(c2)CCCc4c3cc(C(CCC(=O)O)=O)sc3cc(c4)OC)OC)=O;COc1cc(CCCc2cc3sc(cc3cc2OC)C(=O)CCC(O)=O)c4cc(sc4c1)C(=O)CCC(O)=O;COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O","InChI=1S/C29H28O8S2/c1-36-19-10-16(20-15-27(39-25(20)14-19)22(31)7-9-29(34)35)4-3-5-17-12-24-18(11-23(17)37-2)13-26(38-24)21(30)6-8-28(32)33/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)","","2019-10-10","2020-08-14","4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid","2020-08-19"],["21V","N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid","C21 H25 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)CCC3CC=2C(=O)N=C(NC=2NC3)N)CCC(=O)O;NC1=NC(=O)C2=C(NC[CH](CCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)C2)N1;c1cc(ccc1CCC2CC3=C(NC2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1","5,10-dideazatetrahydrofolic acid","2013-08-22","2021-03-13","N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid","2013-09-25"],["21W","N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","C19 H18 N6 O2 S","O=C2NC=Nc1scc(c12)C(=O)NCc3ccc(cc3)CNCc4nccn4;O=C(NCc1ccc(CNCc2[nH]ccn2)cc1)c3csc4N=CNC(=O)c34;c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4","InChI=1S/C19H18N6O2S/c26-17(14-10-28-19-16(14)18(27)24-11-25-19)23-8-13-3-1-12(2-4-13)7-20-9-15-21-5-6-22-15/h1-6,10-11,20H,7-9H2,(H,21,22)(H,23,26)(H,24,25,27)","","2013-08-22","2013-08-30","N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","2013-09-04"],["QBE","~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide","C20 H21 N7 O","CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C;CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4","InChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28)","","2020-06-02","2020-07-24","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide","2020-07-29"],["21X","N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","C15 H14 N4 O2 S","O=C2NC=Nc1scc(c12)C(=O)NCc3ccc(cc3)CN;NCc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1;c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3","InChI=1S/C15H14N4O2S/c16-5-9-1-3-10(4-2-9)6-17-13(20)11-7-22-15-12(11)14(21)18-8-19-15/h1-4,7-8H,5-6,16H2,(H,17,20)(H,18,19,21)","","2013-08-22","2013-08-30","N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","2013-09-04"],["QBF","2,6-dimethoxy-4-(3-oxidanylpropyl)phenol","C11 H16 O4","COc1cc(CCCO)cc(OC)c1O;COc1cc(cc(c1O)OC)CCCO","InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3","propanol syringol","2022-10-18","2023-10-20","2,6-dimethoxy-4-(3-oxidanylpropyl)phenol","2023-10-25"],["21Y","1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one","C16 H21 Cl2 N3 O3","O=C(N1CCN(C(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2OC;CCC(=O)N1CCN(CC1)C(=O)CNc2cc(Cl)c(Cl)cc2OC;CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl","InChI=1S/C16H21Cl2N3O3/c1-3-15(22)20-4-6-21(7-5-20)16(23)10-19-13-8-11(17)12(18)9-14(13)24-2/h8-9,19H,3-7,10H2,1-2H3","","2013-08-22","2024-09-27","1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one","2013-11-27"],["QBG","4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid","C28 H25 F O10 S2","OC(=O)CCC(=O)c1sc2c(c1)cc(c(c2)OC)OCCOc4c(F)c3cc(C(=O)CCC(=O)O)sc3cc4OC;COc1cc2sc(cc2cc1OCCOc3c(F)c4cc(sc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O","InChI=1S/C28H25FO10S2/c1-36-18-12-21-14(10-23(40-21)16(30)3-5-25(32)33)9-19(18)38-7-8-39-28-20(37-2)13-22-15(27(28)29)11-24(41-22)17(31)4-6-26(34)35/h9-13H,3-8H2,1-2H3,(H,32,33)(H,34,35)","","2019-10-10","2020-08-14","4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid","2020-08-19"],["21Z","3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide","C16 H14 N4 O3 S2","O=S(=O)(c3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3)N;Nc1nc(Nc2cccc(c2)[S](N)(=O)=O)sc1C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N","InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)","","2011-04-25","2012-10-26","3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide","2012-10-26"],["QBH","(4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one","C29 H40 N2 O6 S","O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(C)C)C2)Cc3ccc(O)c(c3)CC4N(C(=O)OC4)CCC;CCCN1[CH](COC1=O)Cc2cc(C[CH]3C[S](=O)(=O)C[CH](NCc4cccc(c4)C(C)C)[CH]3O)ccc2O;CCCN1C(COC1=O)Cc2cc(ccc2O)CC3CS(=O)(=O)CC(C3O)NCc4cccc(c4)C(C)C","InChI=1S/C29H40N2O6S/c1-4-10-31-25(16-37-29(31)34)14-23-11-20(8-9-27(23)32)12-24-17-38(35,36)18-26(28(24)33)30-15-21-6-5-7-22(13-21)19(2)3/h5-9,11,13,19,24-26,28,30,32-33H,4,10,12,14-18H2,1-3H3/t24-,25+,26+,28+/m1/s1","","2011-01-24","2011-06-04","(4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one",""],["QBI","~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopentanesulfonamide","C12 H16 N4 O3 S","NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CCCC2;C1CCC(C1)S(=O)(=O)NCC#CC2=CNC(=O)N=C2N","InChI=1S/C12H16N4O3S/c13-11-9(8-14-12(17)16-11)4-3-7-15-20(18,19)10-5-1-2-6-10/h8,10,15H,1-2,5-7H2,(H3,13,14,16,17)","N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopentanesulfonamide","2023-08-29","2024-09-06","~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopentanesulfonamide","2024-09-11"],["220","UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE","C15 H20 O4","O=CC(=C/CCCC=O)CCC=C(C=O)CCC=O;O=CCCCC=C(CCC=C(CCC=O)C=O)C=O;C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O","InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2","","2006-09-28","2024-09-27","(3E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde",""],["221","(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE","C12 H9 F6 N3 O S","N#CC(C(=O)N)C(S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F;NC(=O)[CH](C#N)[CH](S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F;c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F","InChI=1S/C12H9F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)21-10(23)8(4-19)9(20)22/h1-3,8,10,21,23H,(H2,20,22)/t8?,10-/m1/s1","","2006-10-16","2024-09-27","(2R,3R)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-sulfanylpropanamide",""],["QBJ","4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid","C29 H26 O9 S2","OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O;COc1cc2sc(cc2cc1OCC=Cc3cc4cc(sc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2c(cc1C=CCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O","InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3-","","2019-10-10","2020-08-14","4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid","2020-08-19"],["222","2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE","C27 H19 Cl2 F N4 O3","Fc1ccc(c(Cl)c1)N(C3=NN(c2c(Cl)cccc2)C(=O)C=C3)CCCN5C(=O)c4ccccc4C5=O;Fc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)C4=NN(C(=O)C=C4)c5ccccc5Cl)c(Cl)c1;c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl","InChI=1S/C27H19Cl2FN4O3/c28-20-8-3-4-9-23(20)34-25(35)13-12-24(31-34)32(22-11-10-17(30)16-21(22)29)14-5-15-33-26(36)18-6-1-2-7-19(18)27(33)37/h1-4,6-13,16H,5,14-15H2","","2006-08-11","2011-06-04","2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1H-isoindole-1,3(2H)-dione",""],["QBK","5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione","C5 H2 N4 O2 S","NC1=NC(=O)C2=NC(=O)SC2=N1;C12=NC(=O)SC1=NC(=NC2=O)N","InChI=1S/C5H2N4O2S/c6-4-8-2(10)1-3(9-4)12-5(11)7-1/h(H2,6,8,10)","","2020-06-02","2020-12-04","5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione","2020-12-09"],["223","(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL","C12 H17 N5 O2","OCC3CN(Cc2cnc1c2ncnc1N)CC3O;Nc1ncnc2c(CN3C[CH](O)[CH](CO)C3)c[nH]c12;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CO","InChI=1S/C12H17N5O2/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(5-18)9(19)4-17/h1,6,8-9,14,18-19H,2-5H2,(H2,13,15,16)/t8-,9+/m1/s1","4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-A","2006-10-24","2021-03-01","(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol",""],["QBL","1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione","C24 H23 Cl N4 O2 S","Clc1cc(c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c2c(c1)CCCN2C1CNC1;Clc1cc2CCCN(C3CNC3)c2c(c1)c4ccnc5cc(CN6C(=O)CCC6=O)sc45;c1cnc2cc(sc2c1c3cc(cc4c3N(CCC4)C5CNC5)Cl)CN6C(=O)CCC6=O","InChI=1S/C24H23ClN4O2S/c25-15-8-14-2-1-7-28(16-11-26-12-16)23(14)19(9-15)18-5-6-27-20-10-17(32-24(18)20)13-29-21(30)3-4-22(29)31/h5-6,8-10,16,26H,1-4,7,11-13H2","","2022-06-06","2023-09-15","1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione","2023-09-20"],["QBM","6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol","C7 H11 N3 O S","CCCSc1nnc(c(O)n1)C;CCCSc1nnc(C)c(O)n1;CCCSc1nc(c(nn1)C)O","InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11)","","2019-10-10","2020-04-10","6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol","2020-04-15"],["224","1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE","C15 H17 Cl N2 O2","Clc1ccc(cc1)CCC2(OCCO2)Cn3ccnc3;Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1;c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl","InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2","2-[2-(4-CHLOROPHENYL)ETHYL]-2-[(1H-IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLANE","2006-09-07","2020-06-17","1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole",""],["QBN","2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine","C25 H27 N O","CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCNC)cc3;CCC(=C(c1ccccc1)c2ccc(cc2)OCCNC)c3ccccc3","InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-","","2020-06-02","2021-01-29","2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine","2021-02-03"],["225","FELODIPINE","C18 H19 Cl2 N O4","O=C(OC)C1=C(NC(=C(C(=O)OCC)C1c2cccc(Cl)c2Cl)C)C;CCOC(=O)C1=C(C)NC(=C([CH]1c2cccc(Cl)c2Cl)C(=O)OC)C;CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C","InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/t15-/m1/s1","ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","2006-10-26","2020-06-17","ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",""],["QBO","(4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid","C24 H38 N4 O3","C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3Cc5nnnn5[C]12C;CC(CCC(=O)O)C1CCC2C1(n3c(nnn3)CC4C2CCC5C4(CCC(C5)O)C)C","InChI=1S/C24H38N4O3/c1-14(4-9-22(30)31)18-7-8-19-17-6-5-15-12-16(29)10-11-23(15,2)20(17)13-21-25-26-27-28(21)24(18,19)3/h14-20,29H,4-13H2,1-3H3,(H,30,31)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1","","2022-10-24","2023-05-15","(4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid","2023-03-08"],["226","naphthalene-1,2,4,5,7-pentol","C10 H8 O5","Oc2c1c(O)cc(O)cc1c(O)c(O)c2;Oc1cc(O)c2c(O)cc(O)c(O)c2c1;c1c(cc(c2c1c(c(cc2O)O)O)O)O","InChI=1S/C10H8O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-15H","","2007-07-16","2011-06-04","naphthalene-1,2,4,5,7-pentol",""],["227","6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL}QUINAZOLINE","C24 H29 N5 O4 S","O=S(=O)(N1CCN(C)CC1)c2cccc5c2CN(c4ncnc3c4cc(OC)c(OC)c3)CC5;COc1cc2ncnc(N3CCc4cccc(c4C3)[S](=O)(=O)N5CCN(C)CC5)c2cc1OC;CN1CCN(CC1)S(=O)(=O)c2cccc3c2CN(CC3)c4c5cc(c(cc5ncn4)OC)OC","InChI=1S/C24H29N5O4S/c1-27-9-11-29(12-10-27)34(30,31)23-6-4-5-17-7-8-28(15-19(17)23)24-18-13-21(32-2)22(33-3)14-20(18)25-16-26-24/h4-6,13-14,16H,7-12,15H2,1-3H3","","2006-12-27","2011-06-04","6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1H)-yl}quinazoline",""],["QBP","5-[4-(trifluoromethyl)phenyl]-1H-tetrazole","C8 H5 F3 N4","C(F)(F)(c2ccc(c1nnnn1)cc2)F;FC(F)(F)c1ccc(cc1)c2[nH]nnn2;c1cc(ccc1c2[nH]nnn2)C(F)(F)F","InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)","","2019-10-10","2020-04-10","5-[4-(trifluoromethyl)phenyl]-1H-tetrazole","2020-04-15"],["228","N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE","C22 H24 N6 O3","O=C(NCCc1ccc2OCOc2c1)C5N(c3nc(nc(c3)C)n4ccnc4)CCC5;Cc1cc(nc(n1)n2ccnc2)N3CCC[CH]3C(=O)NCCc4ccc5OCOc5c4;Cc1cc(nc(n1)n2ccnc2)N3CCCC3C(=O)NCCc4ccc5c(c4)OCO5","InChI=1S/C22H24N6O3/c1-15-11-20(26-22(25-15)27-10-8-23-13-27)28-9-2-3-17(28)21(29)24-7-6-16-4-5-18-19(12-16)31-14-30-18/h4-5,8,10-13,17H,2-3,6-7,9,14H2,1H3,(H,24,29)/t17-/m1/s1","","2007-02-14","2011-06-04","N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-D-prolinamide",""],["QBQ","7-deaza-GTP","C11 H17 N4 O14 P3","NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H17N4O14P3/c12-11-13-8-4(9(18)14-11)1-2-15(8)10-7(17)6(16)5(27-10)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-7,10,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,13,14,18)/t5-,6-,7-,10-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-06-02","2021-03-13","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-12-09"],["229","7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE","C11 H16 N4 O4","O=C1c2c(N=CN1)c(cn2)CNC(C(O)CO)CO;OC[CH](O)[CH](CO)NCc1c[nH]c2C(=O)NC=Nc12;c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)C(CO)O","InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1","","2007-03-14","2011-06-04","7-({[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["QBR","N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide","C30 H30 F N3 O3","O=C(N(C(c1cccnc1)C(=O)NCCc1cccc(F)c1)c1ccc(cc1)C(C)(C)C)c1ccco1;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NCCc2cccc(F)c2)c3cccnc3)C(=O)c4occc4;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4ccco4","InChI=1S/C30H30FN3O3/c1-30(2,3)23-11-13-25(14-12-23)34(29(36)26-10-6-18-37-26)27(22-8-5-16-32-20-22)28(35)33-17-15-21-7-4-9-24(31)19-21/h4-14,16,18-20,27H,15,17H2,1-3H3,(H,33,35)/t27-/m1/s1","","2023-08-18","2023-11-03","N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide","2023-11-08"],["QBS","(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile","C10 H8 Cl N O","CC(C(c1ccc(cc1)Cl)C#N)=O;CC(=O)[CH](C#N)c1ccc(Cl)cc1;CC(=O)C(C#N)c1ccc(cc1)Cl","InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3/t10-/m1/s1","","2019-10-10","2020-04-10","(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile","2020-04-15"],["22A","7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","C10 H14 N4 O3","O=C1c2c(N=CN1)c(cn2)CNC(CO)CO;OCC(CO)NCc1c[nH]c2C(=O)NC=Nc12;c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO","InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)","","2009-10-21","2011-06-04","7-{[(1,3-dihydroxypropan-2-yl)amino]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["QBT","[(2R,3S,5R)-3-HYDROXY-5-[(5S)-5-METHYL-2,4-DIOXO-1,3-DIAZINAN-1-YL]OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","C10 H17 N2 O8 P","C[CH]1CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6-,7+,8+/m0/s1","","2010-12-08","2022-06-13","[(2R,3S,5R)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",""],["22B","BACTERIORUBERIN","C50 H76 O4","OC(CCC(/C=CC(=CC=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(CCC(O)(C)C)C(O)(C)C)C)C)C)C)C)C)C(O)(C)C)(C)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=C[CH](CCC(C)(C)O)C(C)(C)O;CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O","InChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20?,33-31+,34-32?,39-21+,40-22+,41-25+,42-26?,43-29+,44-30?/t45-,46?/m1/s1","","2007-03-16","2011-06-04","(5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-5,32-bis(1-hydroxy-1-methylethyl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol (non-preferred name)",""],["22C","1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one","C15 H18 Cl2 N2 O3","O=C(N1CCN(C(=O)CC)CC1)COc2ccc(Cl)cc2Cl;CCC(=O)N1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl;CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl","InChI=1S/C15H18Cl2N2O3/c1-2-14(20)18-5-7-19(8-6-18)15(21)10-22-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3","","2013-08-22","2024-09-27","1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one","2013-11-27"],["QBU","N-(5-phenylpentyl)adenosine","C21 H27 N5 O4","OCC1OC(n2cnc3c(NCCCCCc4ccccc4)ncnc32)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCCCCc4ccccc4)ncnc23;c1ccc(cc1)CCCCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C21H27N5O4/c27-11-15-17(28)18(29)21(30-15)26-13-25-16-19(23-12-24-20(16)26)22-10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15,17-18,21,27-29H,2,5-6,9-11H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1","","2022-06-06","2023-01-06","N-(5-phenylpentyl)adenosine","2023-01-11"],["QBV","(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid","C9 H7 Br O3","C([C@H]=Cc1ccc(c(c1)Br)O)(O)=O;OC(=O)C=Cc1ccc(O)c(Br)c1;c1cc(c(cc1C=CC(=O)O)Br)O","InChI=1S/C9H7BrO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+","","2019-10-11","2024-09-27","(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid","2020-07-15"],["22D","4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid","C14 H12 N6 O3","O=C(O)c1ccc(cc1)NCc3nc2c(N=C(N)NC2=O)nc3;NC1=Nc2ncc(CNc3ccc(cc3)C(O)=O)nc2C(=O)N1;c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N","InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)","","2013-08-22","2020-04-03","4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid","2020-04-08"],["QBW","4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol","C15 H17 N O2","Oc1ccc(CCNCc2ccccc2)cc1O;c1ccc(cc1)CNCCc2ccc(c(c2)O)O","InChI=1S/C15H17NO2/c17-14-7-6-12(10-15(14)18)8-9-16-11-13-4-2-1-3-5-13/h1-7,10,16-18H,8-9,11H2","","2020-06-03","2020-11-27","4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol","2020-12-02"],["22E","5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate","C24 H18 N2 O3","O=C(Oc4cc3c(N=C2C(=C1C=CNC(=O)C1C(=C23)C)C)cc4)c5ccccc5;CC1=C2c3cc(OC(=O)c4ccccc4)ccc3N=C2C(=C5C=CNC(=O)[CH]15)C;CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5","InChI=1S/C24H18N2O3/c1-13-17-10-11-25-23(27)21(17)14(2)20-18-12-16(8-9-19(18)26-22(13)20)29-24(28)15-6-4-3-5-7-15/h3-12,21H,1-2H3,(H,25,27)/t21-/m0/s1","","2012-05-31","2012-06-15","(11aS)-5,11-dimethyl-1-oxo-2,11a-dihydro-1H-pyrido[4,3-b]carbazol-9-yl benzoate",""],["22F","(4-fluorophenyl)(pyridin-4-yl)methanone","C12 H8 F N O","O=C(c1ccc(F)cc1)c2ccncc2;Fc1ccc(cc1)C(=O)c2ccncc2;c1cc(ccc1C(=O)c2ccncc2)F","InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H","4-(4-fluorobenzoyl)pyridine","2009-01-20","2021-03-01","(4-fluorophenyl)(pyridin-4-yl)methanone",""],["QBX","{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid","C16 H13 Cl O2 S2","O=C(O)CSC1Cc2cc(Cl)ccc2Sc2ccccc12;OC(=O)CS[CH]1Cc2cc(Cl)ccc2Sc3ccccc13;c1ccc2c(c1)C(Cc3cc(ccc3S2)Cl)SCC(=O)O","InChI=1S/C16H13ClO2S2/c17-11-5-6-13-10(7-11)8-15(20-9-16(18)19)12-3-1-2-4-14(12)21-13/h1-7,15H,8-9H2,(H,18,19)/t15-/m1/s1","","2023-05-08","2023-06-09","{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid","2023-06-14"],["QBY","6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL)","C23 H24 N2 O3 S","CCSc1c(cnc2ccc(OCc3ccccc3)cc12)C(=O)N4CCOCC4;CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4","InChI=1S/C23H24N2O3S/c1-2-29-22-19-14-18(28-16-17-6-4-3-5-7-17)8-9-21(19)24-15-20(22)23(26)25-10-12-27-13-11-25/h3-9,14-15H,2,10-13,16H2,1H3","","2016-04-06","2017-02-10","(4-ethylsulfanyl-6-phenylmethoxy-quinolin-3-yl)-morpholin-4-yl-methanone","2017-02-15"],["22G","N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine","C18 H22 N2 O3","O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2;N[CH](CN[CH](Cc1ccc(O)cc1)C(O)=O)Cc2ccccc2;c1ccc(cc1)CC(CNC(Cc2ccc(cc2)O)C(=O)O)N","InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1","","2013-08-23","2024-09-27","N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine","2014-01-15"],["QBZ","(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz\nol-1-yl)butanoic acid","C10 H13 N4 O6 S","C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O;CC(Cn1ccnn1)(C(C(=O)O)N=CCC(=O)O)[S-](=O)=O","InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1","Tazobactam imine intermediate","2020-06-04","2024-09-27","(2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid","2021-06-09"],["22H","2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol","C11 H22 N O11 P","O=P(OCC(O)C(O)C(OC(C(=O)O)C)C(NC(=O)C)CO)(O)O;C[CH](O[CH]([CH](O)[CH](O)CO[P](O)(O)=O)[CH](CO)NC(C)=O)C(O)=O;CC(C(=O)O)OC(C(CO)NC(=O)C)C(C(COP(=O)(O)O)O)O","InChI=1S/C11H22NO11P/c1-5(11(17)18)23-10(7(3-13)12-6(2)14)9(16)8(15)4-22-24(19,20)21/h5,7-10,13,15-16H,3-4H2,1-2H3,(H,12,14)(H,17,18)(H2,19,20,21)/t5-,7+,8-,9-,10-/m1/s1","","2013-08-23","2014-02-21","2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol","2014-02-26"],["QC0","N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE","C25 H25 N5 O3","O=C(Nc4ccc(c(N3C=Nc2ccc(N1CCN(C)CC1)cc2C3=O)c4)C)c5ccoc5;CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cocc5)ccc4C;Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5","InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)","","2011-11-30","2014-09-05","N-{4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]phenyl}furan-3-carboxamide",""],["22J","(3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid","C12 H8 F2 O4","O=C(c1ccccc1F)C(F)C=CC(=O)C(=O)O;OC(=O)C(=O)C=C[CH](F)C(=O)c1ccccc1F;c1ccc(c(c1)C(=O)C(C=CC(=O)C(=O)O)F)F","InChI=1S/C12H8F2O4/c13-8-4-2-1-3-7(8)11(16)9(14)5-6-10(15)12(17)18/h1-6,9H,(H,17,18)/b6-5+/t9-/m1/s1","","2013-08-23","2013-10-04","(3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid","2013-10-09"],["22K","5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine","C16 H20 Br N7","Brc1c(N)n3ncc(c3nc1C2CCCC(N)C2)c4cn(nc4)C;Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[CH]4CCC[CH](N)C4;Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)C4CCCC(C4)N","InChI=1S/C16H20BrN7/c1-23-8-10(6-20-23)12-7-21-24-15(19)13(17)14(22-16(12)24)9-3-2-4-11(18)5-9/h6-9,11H,2-5,18-19H2,1H3/t9-,11+/m1/s1","","2010-09-14","2011-06-04","5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine",""],["QC1","3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid","C13 H11 F N2 O2","Fc1ccc(cc1)CNc2c(C(O)=O)ccnc2;OC(=O)c1ccncc1NCc2ccc(F)cc2;c1cc(ccc1CNc2cnccc2C(=O)O)F","InChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-8-15-6-5-11(12)13(17)18/h1-6,8,16H,7H2,(H,17,18)","","2018-02-22","2018-04-13","3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid","2018-04-18"],["QC2","2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid","C15 H11 N3 O3","O=C(O)c1ccnc(c1)n2nccc2c3cc(O)ccc3;Oc1cccc(c1)c2ccnn2c3cc(ccn3)C(O)=O;c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O","InChI=1S/C15H11N3O3/c19-12-3-1-2-10(8-12)13-5-7-17-18(13)14-9-11(15(20)21)4-6-16-14/h1-9,19H,(H,20,21)","","2018-02-20","2018-04-13","2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid","2018-04-18"],["22L","5-phenylthieno[2,3-d]pyrimidin-4(3H)-one","C12 H8 N2 O S","O=C2NC=Nc1scc(c12)c3ccccc3;O=C1NC=Nc2scc(c3ccccc3)c12;c1ccc(cc1)c2csc3c2C(=O)NC=N3","InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)","","2013-08-28","2013-09-23","5-phenylthieno[2,3-d]pyrimidin-4(3H)-one","2013-09-25"],["22M","2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE","C16 H15 N3","[N@H]=C(c1ccc2c(c1)nc(c2)c3ccccc3C)N;Cc1ccccc1c2[nH]c3cc(ccc3c2)C(N)=N;[H]N=C(c1ccc2cc([nH]c2c1)c3ccccc3C)N","InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16(17)18)9-14(11)19-15/h2-9,19H,1H3,(H3,17,18)","","2006-03-16","2011-06-04","2-(2-methylphenyl)-1H-indole-6-carboximidamide",""],["QC3","(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one","C19 H15 Cl N2 O","Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O;Clc1cccc(c1)[CH]2CCN(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3CCC(C3=O)c4cccc(c4)Cl","InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m0/s1","","2023-08-18","2023-11-03","(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one","2023-11-08"],["22N","(3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C14 H24 N2 O4","O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1;CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O","InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13-/m0/s1","stereomutated oseltamivir carboxylate","2013-08-23","2021-03-01","(3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","2014-02-12"],["QC4","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H14 F3 N3 O5","NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2F)F)O;C[CH](O)[CH](N)C1=NC(=Cc2cc(F)c(O)c(F)c2F)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2cc(c(c(c2F)F)O)F)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H14F3N3O5/c1-5(22)12(19)14-20-8(15(26)21(14)4-9(23)24)3-6-2-7(16)13(25)11(18)10(6)17/h2-3,5,12,22,25H,4,19H2,1H3,(H,23,24)/b8-3-/t5-,12+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2019-10-11","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-10-14"],["22O","N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 Br N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Br)c2;OC[CH]1O[CH](NC(=S)NN=Cc2cccc(Br)c2)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)Br)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H18BrN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1","3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QC5","2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine","C17 H19 F N4","Fc3ccc(c1cn(nc1n2cccc2)CCN(C)C)cc3;CN(C)CCn1cc(c2ccc(F)cc2)c(n1)n3cccc3;CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F","InChI=1S/C17H19FN4/c1-20(2)11-12-22-13-16(14-5-7-15(18)8-6-14)17(19-22)21-9-3-4-10-21/h3-10,13H,11-12H2,1-2H3","","2013-02-07","2014-09-05","2-[4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl]-N,N-dimethylethanamine","2013-05-08"],["QC6","8-fluoro-2-methylquinolin-4-amine","C10 H9 F N2","Fc1cccc2c(N)cc(C)nc12;Cc1cc(N)c2cccc(F)c2n1;Cc1cc(c2cccc(c2n1)F)N","InChI=1S/C10H9FN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)","","2022-06-07","2023-11-03","8-fluoro-2-methylquinolin-4-amine","2023-11-08"],["22P","(2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid","C11 H15 N O3","O=C(O)C(O)(CCc1ccccc1)CN;NC[C](O)(CCc1ccccc1)C(O)=O;c1ccc(cc1)CCC(CN)(C(=O)O)O","InChI=1S/C11H15NO3/c12-8-11(15,10(13)14)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8,12H2,(H,13,14)/t11-/m1/s1","","2010-04-13","2012-01-13","(2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid",""],["QC7","(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one","C25 H44 O3","CC(C(C)CCC(C)=O)C3(C(C)C2C(CC1CC(CCC1(C)C2CC3)O)O)C;C[CH](CCC(C)=O)[CH](C)[C]1(C)CC[CH]2[CH]([CH](O)C[CH]3C[CH](O)CC[C]23C)[CH]1C;CC1C2C(CCC1(C)C(C)C(C)CCC(=O)C)C3(CCC(CC3CC2O)O)C","InChI=1S/C25H44O3/c1-15(7-8-16(2)26)17(3)24(5)12-10-21-23(18(24)4)22(28)14-19-13-20(27)9-11-25(19,21)6/h15,17-23,27-28H,7-14H2,1-6H3/t15-,17-,18+,19+,20-,21+,22-,23+,24-,25+/m1/s1","","2019-10-11","2024-09-27","(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one","2020-02-19"],["22Q","(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione","C9 H12 N2 O2 S","O=C1C(=N/C(C(=O)N1)=CS)CC(C)C;CC(C)CC1=NC(=CS)C(=O)NC1=O;CC(C)CC1=NC(=CS)C(=O)NC1=O","InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4-","","2014-03-12","2024-09-27","(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione","2015-05-20"],["QC8","(2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide","C23 H23 F N2 O4","CNC(=O)c1cc(cc2[CH]([CH](CF)Oc12)c3ccccc3)C(=O)NC4[CH]5COC[CH]45;CNC(=O)c1cc(cc2c1OC(C2c3ccccc3)CF)C(=O)NC4C5C4COC5","InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20+/m1/s1","","2020-06-04","2020-10-16","(2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide","2020-10-21"],["22R","2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine","C17 H18 N2","Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3;Cc1c(c2cc(ccc2[nH]1)c3ccccc3)CCN","InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3","","2022-01-26","2024-09-27","2-(2-methyl-5-phenyl-1~{H}-indol-3-yl)ethanamine","2023-08-30"],["QC9","(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid","C6 H14 O7 S","OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O;C(CO)C(C(C(CS(=O)(=O)O)O)O)O","InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1","","2022-10-25","2024-09-27","(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid","2023-01-18"],["22S","N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 Cl N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2Cl;OC[CH]1O[CH](NC(=S)NN=Cc2ccccc2Cl)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)Cl","InChI=1S/C14H18ClN3O5S/c15-8-4-2-1-3-7(8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1","2-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-04-30","2020-07-17","N-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QCA","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H16 N4 O7","NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(N(=O)=O)c(cc2)O;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(c2)[N](=O)=O)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(c(c2)N(=O)=O)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16N4O7/c1-7(20)13(16)14-17-9(15(24)18(14)6-12(22)23)4-8-2-3-11(21)10(5-8)19(25)26/h2-5,7,13,20-21H,6,16H2,1H3,(H,22,23)/b9-4-/t7-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2019-10-11","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-10-14"],["22T","7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one","C13 H13 Cl N2 O2","O=C3NC=Cc2cc(OC1CCNC1)c(Cl)cc23;Clc1cc2C(=O)NC=Cc2cc1O[CH]3CCNC3;c1c2c(cc(c1OC3CCNC3)Cl)C(=O)NC=C2","InChI=1S/C13H13ClN2O2/c14-11-6-10-8(1-4-16-13(10)17)5-12(11)18-9-2-3-15-7-9/h1,4-6,9,15H,2-3,7H2,(H,16,17)/t9-/m0/s1","","2013-02-05","2014-09-05","7-chloro-6-[(3S)-pyrrolidin-3-yloxy]isoquinolin-1(2H)-one","2013-05-22"],["22U","D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide","C21 H24 Cl N3 O2","O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cccc(Cl)c3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cccc(c3)Cl)N","InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1","(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide","2007-11-07","2020-06-17","D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide",""],["QCB","(2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid","C16 H23 N6 O10 P","C[CH](O)[CH](NC(=O)C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;CC(C(C(=O)O)NC(=O)CP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C16H23N6O10P/c1-6(23)9(16(27)28)21-8(24)3-33(29,30)31-2-7-11(25)12(26)15(32-7)22-5-20-10-13(17)18-4-19-14(10)22/h4-7,9,11-12,15,23,25-26H,2-3H2,1H3,(H,21,24)(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9+,11-,12-,15-/m1/s1","","2020-06-04","2021-02-05","(2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid","2021-02-10"],["QCC","2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide","C17 H16 Cl N3 O3","Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1;Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N3)c2;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC3CC(=O)N3","InChI=1S/C17H16ClN3O3/c1-10-2-3-19-9-14(10)20-15(22)6-11-4-12(18)7-13(5-11)24-17-8-16(23)21-17/h2-5,7,9,17H,6,8H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1","","2023-08-18","2023-11-03","2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["22W","2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one","C9 H12 N2 O2 S","S=C=C1/N=C(OC1=O)C(N)C(C)CC;CC[CH](C)[CH](N)C1=NC(=C=S)C(=O)O1;CCC(C)C(C1=NC(=C=S)C(=O)O1)N","InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1","","2014-03-12","2024-09-27","2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one","2015-05-20"],["QCD","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl\n}acetic acid","C16 H19 N3 O6","NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(OC)c(cc2)O;COc1cc(ccc1O)C=C2N=C([CH](N)[CH](C)O)N(CC(O)=O)C2=O;CC(C(C1=NC(=Cc2ccc(c(c2)OC)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C16H19N3O6/c1-8(20)14(17)15-18-10(16(24)19(15)7-13(22)23)5-9-3-4-11(21)12(6-9)25-2/h3-6,8,14,20-21H,7,17H2,1-2H3,(H,22,23)/b10-5-/t8-,14+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2019-10-11","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-10-14"],["22X","(3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide","C28 H45 Cl N4 O3","CNC[CH](CC1CCCCC1)NC(=O)N2CCC[CH](C2)[C](O)(CCCNC(C)=O)c3cccc(Cl)c3;CC(=O)NCCCC(c1cccc(c1)Cl)(C2CCCN(C2)C(=O)NC(CC3CCCCC3)CNC)O","InChI=1S/C28H45ClN4O3/c1-21(34)31-15-8-14-28(36,23-11-6-13-25(29)18-23)24-12-7-16-33(20-24)27(35)32-26(19-30-2)17-22-9-4-3-5-10-22/h6,11,13,18,22,24,26,30,36H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,31,34)(H,32,35)/t24-,26+,28-/m1/s1","","2009-11-10","2011-06-04","(3R)-3-[(1S)-4-acetamido-1-(3-chlorophenyl)-1-hydroxy-butyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide",""],["QCE","N3-(N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine","C13 H20 N3 O8 P","CNC(=O)CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](COP(O)O)O2;CC1=CN(C(=O)N(C1=O)CC(=O)NC)C2CC(C(O2)COP(O)O)O","InChI=1S/C13H20N3O8P/c1-7-4-15(13(20)16(12(7)19)5-10(18)14-2)11-3-8(17)9(24-11)6-23-25(21)22/h4,8-9,11,17,21-22H,3,5-6H2,1-2H3,(H,14,18)/t8-,9+,11+/m0/s1","[(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","2020-06-04","2021-01-22","[(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","2021-01-27"],["22Y","3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid","C19 H17 Cl N4 O2","O=C(O)c3cc(c2nc(NC(c1ccccc1)C)c(nc2)N)c(Cl)cc3;C[CH](Nc1nc(cnc1N)c2cc(ccc2Cl)C(O)=O)c3ccccc3;CC(c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N","InChI=1S/C19H17ClN4O2/c1-11(12-5-3-2-4-6-12)23-18-17(21)22-10-16(24-18)14-9-13(19(25)26)7-8-15(14)20/h2-11H,1H3,(H2,21,22)(H,23,24)(H,25,26)/t11-/m1/s1","","2013-08-26","2013-08-30","3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid","2013-09-04"],["22Z","4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C19 H25 N5 O3","[O-][N+](=O)c2c(NCCCCCC)cc(NCc1cccnc1)c(C(=O)N)c2;CCCCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O;CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2","InChI=1S/C19H25N5O3/c1-2-3-4-5-9-22-17-11-16(23-13-14-7-6-8-21-12-14)15(19(20)25)10-18(17)24(26)27/h6-8,10-12,22-23H,2-5,9,13H2,1H3,(H2,20,25)","","2011-04-27","2012-08-03","4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["QCF","3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one","C9 H13 N O S","CN(C)CCC(=O)c1sccc1;CN(C)CCC(=O)c1cccs1","InChI=1S/C9H13NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7H,5-6H2,1-2H3","AAEK1","2024-01-22","2025-08-22","3-(dimethylamino)-1-thiophen-2-yl-propan-1-one","2025-08-27"],["230","(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE","C24 H22 Cl F N4 O4","Clc1ccc(cc1)NC(=O)N2CC(OC)CC2C(=O)Nc3c(F)cc(cc3)N4C=CC=CC4=O;CO[CH]1C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O;COC1CC(N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O","InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1","PD-0348292","2007-04-26","2021-03-01","(2R,4R)-N~1~-(4-chlorophenyl)-N~2~-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide",""],["QCG","(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid","C29 H30 F N3 O4","c2(c1c(OCCC1)c(F)cc2c5c(c(C)nc4cc(c3ccccc3)nn45)C(C(O)=O)OC(C)(C)C)C;Cc1nc2cc(nn2c(c3cc(F)c4OCCCc4c3C)c1[CH](OC(C)(C)C)C(O)=O)c5ccccc5;Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)C(C(=O)O)OC(C)(C)C","InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1","","2019-10-14","2020-02-28","(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid","2020-03-04"],["QCH","(2S)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C29 H36 N2 O7","O=C(NCC1CCCCC1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C29H36N2O7/c1-31(16-20-9-5-6-10-23(20)28(34)30-15-19-7-3-2-4-8-19)17-21-11-13-24-27(26(21)29(35)36)37-18-22(38-24)12-14-25(32)33/h5-6,9-11,13,19,22H,2-4,7-8,12,14-18H2,1H3,(H,30,34)(H,32,33)(H,35,36)/t22-/m0/s1","","2013-11-11","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["231","4-PHENYL-1H-IMIDAZOLE","C9 H8 N2","n2c(c1ccccc1)cnc2;[nH]1cnc(c1)c2ccccc2;c1ccc(cc1)c2c[nH]cn2","InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)","","2007-05-03","2017-03-10","4-phenyl-1H-imidazole","2017-03-15"],["232","1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE","C49 H56 N6 O2","O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CCN5CCC(CC5)CCCC%10CCN(CC[n+]9cc8c7c6cc(OC)ccc6nc7ccc8cc9)CC%10)C;COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(CCCC6CCN(CC6)CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC5)cc4c3c2c1;COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC","InChI=1S/C49H54N6O2/c1-56-38-8-12-44-40(30-38)48-42-32-54(24-18-36(42)6-10-46(48)50-44)28-26-52-20-14-34(15-21-52)4-3-5-35-16-22-53(23-17-35)27-29-55-25-19-37-7-11-47-49(43(37)33-55)41-31-39(57-2)9-13-45(41)51-47/h6-13,18-19,24-25,30-35H,3-5,14-17,20-23,26-29H2,1-2H3/p+2","BIS INTERCALATOR D232","1999-10-08","2020-06-17","2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)",""],["QCI","L-2-Aminoglutarimide","C5 H8 N2 O2","N[CH]1CCC(=O)NC1=O;C1CC(=O)NC(=O)C1N","InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1","(3S)-3-azanylpiperidine-2,6-dione; (S)-2-Aminoglutarimide","2022-10-25","2024-09-27","(3~{S})-3-azanylpiperidine-2,6-dione","2023-01-11"],["233","[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER","C14 H26 N2 O8","O=C(NC1OC(C(O)C(O)C1O)CO)CCCCCNC(=O)OC;COC(=O)NCCCCCC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC(=O)NCCCCCC(=O)NC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1","BMSC-0013","2002-08-13","2020-06-17","N-{6-[(methoxycarbonyl)amino]hexanoyl}-beta-D-galactopyranosylamine",""],["QCK","(4-methyltriazole)-Thymidine-5'-monophosphate","C13 H18 N5 O8 P","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N(Cc3[nH]nnc3)C1=O;CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C13H18N5O8P/c1-7-4-17(11-2-9(19)10(26-11)6-25-27(22,23)24)13(21)18(12(7)20)5-8-3-14-16-15-8/h3-4,9-11,19H,2,5-6H2,1H3,(H,14,15,16)(H2,22,23,24)/t9-,10+,11+/m0/s1","","2020-06-05","2021-01-22","[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)-3-(1~{H}-1,2,3-triazol-5-ylmethyl)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-01-27"],["234","5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID","C21 H16 F N O7","O=C(O)c3noc(c2c(F)ccc(/C=C/COc1cccc(O)c1C(=O)OC)c2)c3;COC(=O)c1c(O)cccc1OCC=Cc2ccc(F)c(c2)c3onc(c3)C(O)=O;COC(=O)c1c(cccc1OCC=Cc2ccc(c(c2)c3cc(no3)C(=O)O)F)O","InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+","COMPOUND 9","2003-07-22","2021-03-01","5-(2-fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)isoxazole-3-carboxylic acid",""],["QCL","8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde","C16 H20 N2 O3","CCC(CC)COc1cc(nc2c(N)cccc12)C(O)=O;CCC(CC)COc1cc(nc2c1cccc2N)C(=O)O","InChI=1S/C16H20N2O3/c1-3-10(4-2)9-21-14-8-13(16(19)20)18-15-11(14)6-5-7-12(15)17/h5-8,10H,3-4,9,17H2,1-2H3,(H,19,20)","","2016-06-01","2024-09-27","8-azanyl-4-(2-ethylbutoxy)quinoline-2-carboxylic acid","2017-06-21"],["235","(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID","C20 H27 N2 O6 P S","O=S(=O)(c1ccccc1)NC(C(C)C)P(=O)(O)CC(c2cccc(c2)CN)C(=O)O;CC(C)[CH](N[S](=O)(=O)c1ccccc1)[P](O)(=O)C[CH](C(O)=O)c2cccc(CN)c2;CC(C)C(NS(=O)(=O)c1ccccc1)P(=O)(CC(c2cccc(c2)CN)C(=O)O)O","InChI=1S/C20H27N2O6PS/c1-14(2)19(22-30(27,28)17-9-4-3-5-10-17)29(25,26)13-18(20(23)24)16-8-6-7-15(11-16)12-21/h3-11,14,18-19,22H,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1","","2007-04-20","2011-06-04","(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-hydroxy{(1R)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid",""],["QCM","Givinostat","C24 H27 N3 O4","C(c3ccc(NC(OCc1ccc2c(c1)ccc(c2)CN(CC)CC)=O)cc3)(NO)=O;CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1;CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO","InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)","{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate","2019-10-15","2020-06-17","{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate","2019-12-04"],["237","(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE","C26 H25 Cl F N3 O5 S","O=C(Nc1ccc(Cl)cc1)N4C(C(=O)Nc3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC(OC)C4;CO[CH]1C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)c4ccccc4[S](C)(=O)=O;COC1CC(N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C","InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1","","2007-05-22","2011-06-04","(2R,4R)-N~1~-(4-chlorophenyl)-N~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide",""],["QCN","(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal","C13 H19 N O3","CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O;CC(C)(C)c1cc(ccc1O)CC(C(=O)O)N","InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1","","2020-06-05","2024-09-27","(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid","2021-06-30"],["238","6-CHLORO-2-(2'-FLUOROBIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID","C23 H15 Cl F N O2","Fc1ccccc1c4ccc(c2nc3ccc(Cl)cc3c(c2C)C(=O)O)cc4;Cc1c(nc2ccc(Cl)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F;Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O","InChI=1S/C23H15ClFNO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)","","2007-05-29","2011-06-04","6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid",""],["QCO","N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-{4-[(propan-2-yl)oxy]phenyl}-1H-imidazole-4-carboxamide","C28 H28 F N5 O3","O=C(N(C(c1cccnc1)C(=O)NCCc1cccc(F)c1)c1ccc(OC(C)C)cc1)c1c[NH]cn1;CC(C)Oc1ccc(cc1)N([CH](C(=O)NCCc2cccc(F)c2)c3cccnc3)C(=O)c4c[nH]cn4;CC(C)Oc1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4c[nH]cn4","InChI=1S/C28H28FN5O3/c1-19(2)37-24-10-8-23(9-11-24)34(28(36)25-17-31-18-33-25)26(21-6-4-13-30-16-21)27(35)32-14-12-20-5-3-7-22(29)15-20/h3-11,13,15-19,26H,12,14H2,1-2H3,(H,31,33)(H,32,35)/t26-/m1/s1","","2023-08-18","2023-11-03","N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-{4-[(propan-2-yl)oxy]phenyl}-1H-imidazole-4-carboxamide","2023-11-08"],["QCP","AR-42","C18 H20 N2 O3","C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C;CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2;CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO","InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1","N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide","2019-10-16","2020-06-17","N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide","2019-12-04"],["239","6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE","C19 H18 N4 O","O=C(Nc1ccc(cc1)CN)c3cc2ccc(C(=[N@H])N)cc2cc3;NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1;[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N","InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)","6-[N-(4-(AMINOMETHYL)PHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE","2003-04-09","2020-06-17","N-[4-(aminomethyl)phenyl]-6-carbamimidoylnaphthalene-2-carboxamide",""],["23A","2,3-DIHYDROXYBENZALDEHYDE","C7 H6 O3","O=Cc1cccc(O)c1O;Oc1cccc(C=O)c1O;c1cc(c(c(c1)O)O)C=O","InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H","","2006-08-04","2011-06-04","2,3-dihydroxybenzaldehyde",""],["QCQ","[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C18 H21 Cl F N5 O8 P2","O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)nc(Cl)nc23;c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)F","InChI=1S/C18H21ClFN5O8P2/c19-18-23-15(21-6-10-4-2-1-3-5-10)13-16(24-18)25(8-22-13)17-12(20)14(26)11(33-17)7-32-35(30,31)9-34(27,28)29/h1-5,8,11-12,14,17,26H,6-7,9H2,(H,30,31)(H,21,23,24)(H2,27,28,29)/t11-,12+,14-,17-/m1/s1","","2020-06-05","2020-07-17","[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-07-22"],["23B","(2S,3R)-2,3-dihydroxy-2-methylbutanoic acid","C5 H10 O4","O=C(O)C(O)(C)C(O)C;C[CH](O)[C](C)(O)C(O)=O;CC(C(C)(C(=O)O)O)O","InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1","","2013-06-13","2013-09-06","(2S,3R)-2,3-dihydroxy-2-methylbutanoic acid","2013-09-11"],["QCR","(3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol","C20 H25 F N8 O","CC(C)c1nnc(NC)c2cnc(cc12)Nc1nc(ncc1)N1CCC(O)C(F)C1;CNc1nnc(C(C)C)c2cc(Nc3ccnc(n3)N4CC[CH](O)[CH](F)C4)ncc12;CC(C)c1c2cc(ncc2c(nn1)NC)Nc3ccnc(n3)N4CCC(C(C4)F)O","InChI=1S/C20H25FN8O/c1-11(2)18-12-8-17(24-9-13(12)19(22-3)28-27-18)25-16-4-6-23-20(26-16)29-7-5-15(30)14(21)10-29/h4,6,8-9,11,14-15,30H,5,7,10H2,1-3H3,(H,22,28)(H,23,24,25,26)/t14-,15+/m0/s1","","2022-06-07","2022-07-22","(3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol","2022-07-27"],["QCS","S-carbamoyl-L-cysteine","C4 H8 N2 O3 S","O=C(SCC(C(=O)O)N)N;N[CH](CSC(N)=O)C(O)=O;C(C(C(=O)O)N)SC(=O)N","InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1","","2013-10-21","2024-09-27","S-carbamoyl-L-cysteine","2013-12-18"],["23C","2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid","C22 H15 N O6","O=C(O)C(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4;OC(=O)[CH](Cc1cccc2ccccc12)N3C(=O)c4ccc(cc4C3=O)C(O)=O;c1ccc2c(c1)cccc2CC(C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O","InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1","","2007-12-17","2011-06-04","2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",""],["QCT","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside","C21 H20 O11","O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4;C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O","InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1","quercitrin","2012-08-31","2020-06-17","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside","2013-01-25"],["23D","N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE","C19 H24 Cl N7","Clc1cccc(c1)Nc3nc(nc2c3ncn2CC)NC4CCCCC4N;CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12;CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N","InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15-/m1/s1","","2005-12-01","2011-06-04","N~2~-[(1R,2R)-2-aminocyclohexyl]-N~6~-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine",""],["23E","(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid","C38 H38 N4 O5","O=C(O)C=Cc1ccc(cc1)NC(=O)C7(NC(=O)c4ccc3c(c2c5c(NC(=O)Cn2c3c4)cccc5)C6CCCCC6)CCCC7;OC(=O)C=Cc1ccc(NC(=O)C2(CCCC2)NC(=O)c3ccc4c(c3)n5CC(=O)Nc6ccccc6c5c4C7CCCCC7)cc1;c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)C=CC(=O)O)C7CCCCC7","InChI=1S/C38H38N4O5/c43-32-23-42-31-22-26(15-18-29(31)34(25-8-2-1-3-9-25)35(42)28-10-4-5-11-30(28)40-32)36(46)41-38(20-6-7-21-38)37(47)39-27-16-12-24(13-17-27)14-19-33(44)45/h4-5,10-19,22,25H,1-3,6-9,20-21,23H2,(H,39,47)(H,40,43)(H,41,46)(H,44,45)/b19-14+","","2011-01-06","2011-06-04","(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid",""],["QCU","1,3-dimethylbenzimidazol-2-one","C9 H10 N2 O","CN1C(=O)N(C)c2ccccc12;CN1c2ccccc2N(C1=O)C","InChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3","","2022-10-25","2022-12-02","1,3-dimethylbenzimidazol-2-one","2022-12-07"],["23F","(2Z)-2-AMINO-3-PHENYLACRYLIC ACID","C9 H9 N O2","O=C(O)C(/N)=C/c1ccccc1;NC(=Cc1ccccc1)C(O)=O;c1ccc(cc1)C=C(C(=O)O)N","InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-","DEHYDROPHENYLALANINE","2005-10-17","2024-09-27","(2Z)-2-amino-3-phenylprop-2-enoic acid",""],["QCV","N-(4-nitrophenyl)methanimine","C7 H6 N2 O2","C=Nc1ccc(cc1)N(=O)=O;C=Nc1ccc(cc1)[N](=O)=O;C=Nc1ccc(cc1)N(=O)=O","InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2","","2019-10-16","2024-09-27","N-(4-nitrophenyl)methanimine","2019-11-20"],["23G","GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE","C10 H13 N5 O10 P2","O=C4NC(=Nc1c4ncn1C2OC(C3OP(=O)(O)OC23)COP(=O)(O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34;c1nc2c(n1C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N","InChI=1S/C10H13N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1","","2009-09-09","2011-06-04","[(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate",""],["QCW","~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide","C14 H14 N2 O2","CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O;CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2","InChI=1S/C14H14N2O2/c1-15-13(17)12-8-5-9-16(14(12)18)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,15,17)","","2020-06-08","2020-07-31","~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide","2020-08-05"],["QCX","(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol","C25 H37 N7 O3","CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12;CCC[CH](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12;CCCC(CCO)Nc1c2c(cnn2Cc3ccc(cc3OC)CNC4CCOCC4)nc(n1)N","InChI=1S/C25H37N7O3/c1-3-4-20(7-10-33)29-24-23-21(30-25(26)31-24)15-28-32(23)16-18-6-5-17(13-22(18)34-2)14-27-19-8-11-35-12-9-19/h5-6,13,15,19-20,27,33H,3-4,7-12,14,16H2,1-2H3,(H3,26,29,30,31)/t20-/m0/s1","","2023-08-18","2024-02-02","(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol","2024-02-07"],["QCY","2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium)","C26 H22 N2 O S2","c45sc(C=Cc3cc(C=[C@H]c2sc1ccccc1[n+]2C)ccc3O)[n+](c4cccc5)C;C[n+]1c(sc2ccccc12)C=Cc3ccc(O)c(C=Cc4sc5ccccc5[n+]4C)c3;C[n+]1c2ccccc2sc1C=Cc3ccc(c(c3)C=Cc4[n+](c5ccccc5s4)C)O","InChI=1S/C26H21N2OS2/c1-27-20-7-3-5-9-23(20)30-25(27)15-12-18-11-14-22(29)19(17-18)13-16-26-28(2)21-8-4-6-10-24(21)31-26/h3-17H,1-2H3/q+1/p+1","","2018-10-19","2019-03-01","2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium)","2019-03-06"],["QCZ","~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide","C18 H19 N3 O3","CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3CC3;CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3","InChI=1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22)","","2020-06-08","2020-07-31","~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide","2020-08-05"],["QD0","(2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C12 H17 N3 O4","O=C(N1C(C(=O)NC)CC(O)C1)Cc2onc(c2)C;CNC(=O)[CH]1C[CH](O)CN1C(=O)Cc2onc(C)c2;Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NC)O","InChI=1S/C12H17N3O4/c1-7-3-9(19-14-7)5-11(17)15-6-8(16)4-10(15)12(18)13-2/h3,8,10,16H,4-6H2,1-2H3,(H,13,18)/t8-,10+/m1/s1","","2013-04-29","2014-09-05","(4R)-4-hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide","2013-11-27"],["QD1","6-chloroquinolin-4-amine","C9 H7 Cl N2","Clc1ccc2nccc(N)c2c1;Nc1ccnc2ccc(Cl)cc12;c1cc2c(cc1Cl)c(ccn2)N","InChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)","","2022-06-07","2023-11-03","6-chloroquinolin-4-amine","2023-11-08"],["QD2","4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide","C22 H29 N5 O5 S","CN[S](=O)(=O)c1cc(cnc1OC)N2CCOc3ccc(cc23)C(=O)NC4CCN(C)CC4;CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C","InChI=1S/C22H29N5O5S/c1-23-33(29,30)20-13-17(14-24-22(20)31-3)27-10-11-32-19-5-4-15(12-18(19)27)21(28)25-16-6-8-26(2)9-7-16/h4-5,12-14,16,23H,6-11H2,1-3H3,(H,25,28)","","2020-06-08","2020-07-10","4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide","2020-07-15"],["QD3","4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid","C13 H17 F3 N2 O2","FC(F)(F)c1nn(CCCC(=O)O)c2CCCCCc12;OC(=O)CCCn1nc(c2CCCCCc12)C(F)(F)F;C1CCc2c(n(nc2C(F)(F)F)CCCC(=O)O)CC1","InChI=1S/C13H17F3N2O2/c14-13(15,16)12-9-5-2-1-3-6-10(9)18(17-12)8-4-7-11(19)20/h1-8H2,(H,19,20)","","2023-05-08","2023-06-09","4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid","2023-06-14"],["QD4","(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide","C20 H17 Cl N4 O2","NC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21;NC(=O)N1CC[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc14;c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)C(=O)N","InChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26)/t15-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide","2023-11-08"],["QD5","~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide","C20 H20 N4 O3","CNC(=O)C1=CC(=CN(Cc2cccc3[nH]ccc23)C1=O)C(=O)NC4CC4;CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4","InChI=1S/C20H20N4O3/c1-21-19(26)16-9-13(18(25)23-14-5-6-14)11-24(20(16)27)10-12-3-2-4-17-15(12)7-8-22-17/h2-4,7-9,11,14,22H,5-6,10H2,1H3,(H,21,26)(H,23,25)","","2020-06-08","2020-07-31","~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide","2020-08-05"],["QD6","(2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid","C26 H29 Cl N4 O3","Cn1cc(Cn2c(C)cc3c(c4ccc(Cl)cc4)c(C(OC(C)(C)C)C(=O)O)c(C)nc23)cn1;Cn1cc(Cn2c(C)cc3c2nc(C)c([CH](OC(C)(C)C)C(O)=O)c3c4ccc(Cl)cc4)cn1;Cc1cc2c(c(c(nc2n1Cc3cnn(c3)C)C)C(C(=O)O)OC(C)(C)C)c4ccc(cc4)Cl","InChI=1S/C26H29ClN4O3/c1-15-11-20-22(18-7-9-19(27)10-8-18)21(23(25(32)33)34-26(3,4)5)16(2)29-24(20)31(15)14-17-12-28-30(6)13-17/h7-13,23H,14H2,1-6H3,(H,32,33)/t23-/m0/s1","","2022-06-07","2023-06-09","(2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid","2023-06-14"],["QD7","(R)-(3-aminopropyl)methylphosphinic acid","C4 H12 N O2 P","C(CCP(C)(O)=O)N;C[P](O)(=O)CCCN;CP(=O)(CCCN)O","InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)","","2019-10-16","2020-06-05","(R)-(3-aminopropyl)methylphosphinic acid","2020-06-10"],["QD8","(S)-3-butyl-2-oxopentanedioic acid","C9 H14 O5","CCCC[CH](CC(O)=O)C(=O)C(O)=O;CCCCC(CC(=O)O)C(=O)C(=O)O","InChI=1S/C9H14O5/c1-2-3-4-6(5-7(10)11)8(12)9(13)14/h6H,2-5H2,1H3,(H,10,11)(H,13,14)/t6-/m0/s1","(3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid","2022-10-25","2022-10-28","(3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid","2022-11-02"],["QD9","N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide","C25 H23 Cl N4 O","CN(C)c1cnc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21;CN(C)c1ccc(nc1)N(Cc2cccc(Cl)c2)C(=O)Cc3cncc4ccccc34;CN(C)c1ccc(nc1)N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4","InChI=1S/C25H23ClN4O/c1-29(2)22-10-11-24(28-16-22)30(17-18-6-5-8-21(26)12-18)25(31)13-20-15-27-14-19-7-3-4-9-23(19)20/h3-12,14-16H,13,17H2,1-2H3","","2023-08-18","2023-11-03","N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide","2023-11-08"],["QDA","N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine","C15 H23 N5 O2 S","c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC;CSc1nc(NC2CCCC2)c(c(NC3CCCC3)n1)[N+]([O-])=O;CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3","InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)","","2019-10-16","2020-06-05","N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine","2020-06-10"],["QDB","4-benzoylbenzoic acid","C14 H10 O3","OC(=O)c1ccc(cc1)C(=O)c1ccccc1;OC(=O)c1ccc(cc1)C(=O)c2ccccc2;c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O","InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)","","2022-06-07","2022-12-30","4-benzoylbenzoic acid","2023-01-04"],["QDC","(R)-3-butyl-2-oxopentanedioic acid","C9 H14 O5","CCCC[CH](CC(O)=O)C(=O)C(O)=O;CCCCC(CC(=O)O)C(=O)C(=O)O","InChI=1S/C9H14O5/c1-2-3-4-6(5-7(10)11)8(12)9(13)14/h6H,2-5H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1","(3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid","2022-10-25","2022-10-28","(3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid","2022-11-02"],["QDD","2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid","C12 H10 N2 O4","Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)CC(=O)O","InChI=1S/C12H10N2O4/c13-8-3-1-2-7-6(5-10(15)16)4-9(12(17)18)14-11(7)8/h1-4H,5,13H2,(H,15,16)(H,17,18)","","2018-10-24","2024-09-27","8-azanyl-4-(2-hydroxy-2-oxoethyl)quinoline-2-carboxylic acid","2019-09-18"],["QDE","~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide","C18 H24 N4 O4 S","COc1ncc(cc1N[S](C)(=O)=O)N2CCOc3ccc(CN(C)C)cc23;CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C","InChI=1S/C18H24N4O4S/c1-21(2)12-13-5-6-17-16(9-13)22(7-8-26-17)14-10-15(20-27(4,23)24)18(25-3)19-11-14/h5-6,9-11,20H,7-8,12H2,1-4H3","","2020-06-08","2020-06-26","~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide","2020-07-01"],["QDF","(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide","C19 H14 Cl N3 O2","Clc1ccc2NC(=O)CC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2NC(=O)C[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cc4)Cl","InChI=1S/C19H14ClN3O2/c20-12-5-6-16-14(7-12)15(8-18(24)22-16)19(25)23-17-10-21-9-11-3-1-2-4-13(11)17/h1-7,9-10,15H,8H2,(H,22,24)(H,23,25)/t15-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["QDG","4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one","C35 H37 Br Cl2 N8 O4","C(C6(c1c(Cl)cc(cc1)Cl)OCC(COc2ccc(cc2)N5CCN(c3ccc(cc3Br)N4C(N(N=C4)C(C)CC)=O)CC5)O6)n7cncn7;CC[CH](C)N1N=CN(C1=O)c2ccc(N3CCN(CC3)c4ccc(OC[CH]5CO[C](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4)c(Br)c2;CCC(C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OCC5COC(O5)(Cn6cncn6)c7ccc(cc7Cl)Cl","InChI=1S/C35H37BrCl2N8O4/c1-3-24(2)46-34(47)45(23-41-46)27-7-11-33(31(36)17-27)43-14-12-42(13-15-43)26-5-8-28(9-6-26)48-18-29-19-49-35(50-29,20-44-22-39-21-40-44)30-10-4-25(37)16-32(30)38/h4-11,16-17,21-24,29H,3,12-15,18-20H2,1-2H3/t24-,29-,35-/m0/s1","","2019-10-16","2020-01-10","4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one","2020-01-15"],["QDH","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C20 H24 Cl F N4 O9 P2","C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccccc4F;CC(c1ccccc1F)Nc2cc(nc3c2cnn3C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl","InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1","","2020-06-08","2020-09-11","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-09-16"],["QDI","6-fluoroquinolin-4-amine","C9 H7 F N2","Fc1ccc2nccc(N)c2c1;Nc1ccnc2ccc(F)cc12;c1cc2c(cc1F)c(ccn2)N","InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)","","2022-06-07","2023-11-03","6-fluoroquinolin-4-amine","2023-11-08"],["QDJ","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C37 H39 N3 O3 S","CC(C)(OC(=O)NC(CSC(Cc2c1c(cccc1)ccc2)C(NCc3cnccc3)=O)Cc5c4ccccc4ccc5)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1cccc2ccccc12)C(=O)NCc3cccnc3)Cc4cccc5ccccc45;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3cccc4c3cccc4)C(=O)NCc5cccnc5","InChI=1S/C37H39N3O3S/c1-37(2,3)43-36(42)40-31(21-29-16-8-14-27-12-4-6-18-32(27)29)25-44-34(35(41)39-24-26-11-10-20-38-23-26)22-30-17-9-15-28-13-5-7-19-33(28)30/h4-20,23,31,34H,21-22,24-25H2,1-3H3,(H,39,41)(H,40,42)/t31-,34+/m1/s1","","2019-10-17","2020-01-31","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QDK","L-ribulose","C5 H10 O5","O=C(CO)C(O)C(O)CO;OC[CH](O)[CH](O)C(=O)CO;C(C(C(C(=O)CO)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1","","2011-01-25","2020-06-24","L-ribulose",""],["QDL","Antheraxanthin","C40 H56 O3","CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C","InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1","(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol","2022-10-25","2023-10-27","(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol","2023-11-01"],["QDM","TDP-3,6-dideoxy-3-N,N-dimethylglucose","C18 H31 N3 O14 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(N(C)C)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH]([CH]1O)N(C)C;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O","InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1","","2014-02-17","2014-02-21","(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-02-26"],["QDN","Quinidine","C20 H24 N2 O2","O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C;COc1ccc2nccc([CH](O)[CH]3C[CH]4CC[N]3C[CH]4C=C)c2c1;COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O","InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1","(9S)-6'-methoxycinchonan-9-ol","2014-10-15","2021-03-01","(9S)-6'-methoxycinchonan-9-ol","2015-01-14"],["QDO","2,3-bis(bromomethyl)quinoxaline 1,4-dioxide","C10 H8 Br2 N2 O2","[O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr;[O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12;c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-]","InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2","conoidin A","2013-05-31","2024-09-27","2,3-bis(bromomethyl)quinoxaline 1,4-dioxide","2013-07-31"],["QDP","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C38 H39 N3 O3 S","C(SCC(NC(=O)OC(C)(C)C)Cc2c1ccccc1ccc2)(C(=O)N=CCc3cnccc3)Cc4cccc5c4cccc5;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1cccc2ccccc12)C(=O)N=CCc3cccnc3)Cc4cccc5ccccc45;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3cccc4c3cccc4)C(=O)N=CCc5cccnc5","InChI=1S/C38H39N3O3S/c1-38(2,3)44-37(43)41-32(23-30-16-8-14-28-12-4-6-18-33(28)30)26-45-35(36(42)40-22-20-27-11-10-21-39-25-27)24-31-17-9-15-29-13-5-7-19-34(29)31/h4-19,21-22,25,32,35H,20,23-24,26H2,1-3H3,(H,41,43)/b40-22+/t32-,35-/m0/s1","","2019-10-17","2020-01-31","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QDQ","~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide","C54 H62 F N13 O18","CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O","InChI=1S/C54H62FN13O18/c1-30(69)56-23-33-28-68(54(83)86-33)32-11-12-40(37(55)21-32)65-13-15-66(16-14-65)45(74)29-85-20-19-84-18-17-67-27-31(63-64-67)22-58-52(81)39(62-51(80)36-7-4-10-43(72)48(36)77)25-59-53(82)38(61-50(79)35-6-3-9-42(71)47(35)76)24-57-44(73)26-60-49(78)34-5-2-8-41(70)46(34)75/h2-12,21,27,33,38-39,70-72,75-77H,13-20,22-26,28-29H2,1H3,(H,56,69)(H,57,73)(H,58,81)(H,59,82)(H,60,78)(H,61,79)(H,62,80)/t33?,38-,39-/m0/s1","","2020-06-08","2020-07-24","~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide","2020-07-29"],["QDR","2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one","C12 H12 N6 O S","O=C1c3cccc(c3N=C(N1)CSc2nc(nn2)N)C;Cc1cccc2C(=O)NC(=Nc12)CSc3[nH]nc(N)n3;Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N","InChI=1S/C12H12N6OS/c1-6-3-2-4-7-9(6)14-8(15-10(7)19)5-20-12-16-11(13)17-18-12/h2-4H,5H2,1H3,(H,14,15,19)(H3,13,16,17,18)","","2011-06-28","2011-07-15","2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one",""],["QDS","N-(quinoxalin-2-ylcarbonyl)-D-serine","C12 H11 N3 O4","O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO;OC[CH](NC(=O)c1cnc2ccccc2n1)C(O)=O;c1ccc2c(c1)ncc(n2)C(=O)NC(CO)C(=O)O","InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1","","2008-03-11","2011-06-04","N-(quinoxalin-2-ylcarbonyl)-D-serine",""],["QDT","2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate","C23 H23 N3 O5","COc1ccc(n2nc(nc12)C3(CC3)C(=O)OCC(C)C)c4ccc5C(=O)OCc5c4;CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC","InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3","","2020-06-08","2020-09-18","2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate","2020-09-23"],["QDU","2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H12 F2 N2 O","Fc1cc(CC(=O)Nc2cncc3ccccc32)c(F)cc1;Fc1ccc(F)c(CC(=O)Nc2cncc3ccccc23)c1;c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3F)F","InChI=1S/C17H12F2N2O/c18-13-5-6-15(19)12(7-13)8-17(22)21-16-10-20-9-11-3-1-2-4-14(11)16/h1-7,9-10H,8H2,(H,21,22)","","2023-08-18","2023-11-03","2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QDV","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C32 H38 N4 O3 S","C(C(NC(OC(C)(C)C)=O)Cc1cnc2ccccc12)SC(C(=O)NCCc3cccnc3)Cc4ccccc4;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3c[nH]c4ccccc34;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCc4cccnc4","InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m0/s1","","2019-10-17","2020-01-31","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QDW","methoxymethyloxathiatetraazatetracyclodocosahexaenedione","C18 H22 N4 O4 S","COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3;CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1","InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3","","2020-06-08","2020-07-24","","2020-07-29"],["QDX","(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid","C37 H40 N8 O10","NC=1NC2C(N=C(N)N3CCC(O)(O)C23N=1)COC(=O)NCCCCCCNC(=O)c1cc(C=2c3ccc(O)cc3OC3=CC(=O)C=CC=23)c(cc1)C(=O)O;NC1=N[C]23[CH](N1)[CH](COC(=O)NCCCCCCNC(=O)c4ccc(C(O)=O)c(c4)C5=C6C=CC(=O)C=C6Oc7cc(O)ccc57)N=C(N)N2CCC3(O)O;c1cc(c(cc1C(=O)NCCCCCCNC(=O)OCC2C3C4(C(CCN4C(=N2)N)(O)O)N=C(N3)N)C5=C6C=CC(=O)C=C6Oc7c5ccc(c7)O)C(=O)O","InChI=1S/C37H40N8O10/c38-33-43-30-26(42-34(39)45-14-11-36(52,53)37(30,45)44-33)18-54-35(51)41-13-4-2-1-3-12-40-31(48)19-5-8-22(32(49)50)25(15-19)29-23-9-6-20(46)16-27(23)55-28-17-21(47)7-10-24(28)29/h5-10,15-17,26,30,46,52-53H,1-4,11-14,18H2,(H2,39,42)(H,40,48)(H,41,51)(H,49,50)(H3,38,43,44)/t26-,30-,37-/m0/s1","","2022-06-07","2022-10-28","(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid","2022-11-02"],["QDY","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C34 H39 N3 O3 S","C(C(NC(OC(C)(C)C)=O)Cc2c1ccccc1ccc2)SC(C(NCCc3cccnc3)=O)Cc4ccccc4;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCc4cccnc4","InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m1/s1","","2019-10-17","2020-01-31","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QDZ","~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine","C21 H21 N7","CN(C)Cc1cnn(c1)c2ccnc3[nH]c(nc23)c4cccc5n(C)ccc45;Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C","InChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25)","","2020-06-09","2021-06-18","~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine","2021-06-23"],["QE0","(2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C25 H34 Cl N3 O6","COCCOc1cc(Cl)ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(C)c3ccc(cc3OCCOC)Cl)O","InChI=1S/C25H34ClN3O6/c1-14(2)23(22-10-15(3)28-35-22)25(32)29-13-18(30)12-20(29)24(31)27-16(4)19-7-6-17(26)11-21(19)34-9-8-33-5/h6-7,10-11,14,16,18,20,23,30H,8-9,12-13H2,1-5H3,(H,27,31)/t16-,18+,20-,23+/m0/s1","","2022-10-26","2023-02-10","(2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QE2","5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid","C17 H16 F N O4 S","OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2;c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3","InChI=1S/C17H16FNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21)","","2020-06-09","2021-06-18","5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid","2021-06-23"],["QE3","2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide","C16 H12 Cl N3 O","O=C(Cc1ccc(Cl)cn1)Nc1cncc2ccccc21;Clc1ccc(CC(=O)Nc2cncc3ccccc23)nc1;c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cn3)Cl","InChI=1S/C16H12ClN3O/c17-12-5-6-13(19-9-12)7-16(21)20-15-10-18-8-11-3-1-2-4-14(11)15/h1-6,8-10H,7H2,(H,20,21)","","2023-08-18","2023-11-03","2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QE4","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C34 H39 N3 O3 S","CC(OC(NC(CSC(Cc1ccccc1)C(=O)NCCc2cnccc2)Cc3cccc4c3cccc4)=O)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCc4cccnc4","InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m0/s1","","2019-10-17","2020-01-31","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QE5","2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid","C15 H14 F N O4 S","Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O)=O;Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F","InChI=1S/C15H14FNO4S/c1-9-3-5-12(7-10(9)2)22(20,21)17-14-6-4-11(16)8-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19)","","2020-06-10","2021-06-18","2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid","2021-06-23"],["QE8","(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol","C14 H26 O9","OC[CH]1C[CH](OC[CH]2[CH](O)C[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1OCC2C(CC(C(C2O)O)O)O)O)O)O)CO","InChI=1S/C14H26O9/c15-3-5-1-9(13(21)14(22)10(5)18)23-4-6-7(16)2-8(17)12(20)11(6)19/h5-22H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14+/m1/s1","","2020-06-10","2024-09-27","(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol","2021-04-28"],["QE9","(2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C28 H36 N4 O6 S","COCCOc1cc(ccc1CNC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NCc3ccc(cc3OCCOC)c4c(ncs4)C)O","InChI=1S/C28H36N4O6S/c1-16(2)25(24-10-17(3)31-38-24)28(35)32-14-21(33)12-22(32)27(34)29-13-20-7-6-19(26-18(4)30-15-39-26)11-23(20)37-9-8-36-5/h6-7,10-11,15-16,21-22,25,33H,8-9,12-14H2,1-5H3,(H,29,34)/t21-,22+,25-/m1/s1","","2022-10-26","2023-02-10","(2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QEA","tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C32 H38 N4 O3 S","C(SC(C(=O)NCCc1cnccc1)Cc2ccccc2)C(Cc3cnc4c3cccc4)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3c[nH]c4ccccc34;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCc4cccnc4","InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m1/s1","","2019-10-18","2020-01-31","tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QEB","[Re4(mu3-OH)4(CO)12]","O4 Re4","O1[Re]O[Re]1.O2[Re]O[Re]2;O12[Re]3O4[Re]1O5[Re]2O3[Re]45","InChI=1S/4O.4Re","","2019-05-10","2019-06-14","","2019-06-19"],["QEC","N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine","C22 H31 N7 O","COc1cc(CNC2CCC2)ccc1Cn1cc2nc(N)nc(NCCCC)c2n1;CCCCNc1nc(N)nc2cn(Cc3ccc(CNC4CCC4)cc3OC)nc12;CCCCNc1c2c(cn(n2)Cc3ccc(cc3OC)CNC4CCC4)nc(n1)N","InChI=1S/C22H31N7O/c1-3-4-10-24-21-20-18(26-22(23)27-21)14-29(28-20)13-16-9-8-15(11-19(16)30-2)12-25-17-6-5-7-17/h8-9,11,14,17,25H,3-7,10,12-13H2,1-2H3,(H3,23,24,26,27)","","2023-08-18","2024-02-02","N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine","2024-02-07"],["QED","N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2\n-carboxamide)","C25 H28 N6 O9","O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O;ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)c3cccc(O)c3O;c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O","InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38)","tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide","2009-06-19","2020-06-17","N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide)",""],["QEE","~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate","C15 H16 N6 O3","CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2O;CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O","InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,22H,1-3H3","tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate","2020-06-10","2021-04-02","~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate","2021-04-07"],["QEF","6-fluoro-2-methylquinolin-4-amine","C10 H9 F N2","Fc1ccc2nc(C)cc(N)c2c1;Cc1cc(N)c2cc(F)ccc2n1;Cc1cc(c2cc(ccc2n1)F)N","InChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)","","2022-06-07","2023-11-03","6-fluoro-2-methylquinolin-4-amine","2023-11-08"],["QEG","N~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine","C29 H32 N4 O6 S","O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)CCc3ccc(c2scc(c1ccccc1)c2)cc3)CCC(=O)N;NC(=O)CC[CH](NC(=O)CCc1ccc(cc1)c2scc(c2)c3ccccc3)C(=O)N[CH](CCC(O)=O)C(N)=O;c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C29H32N4O6S/c30-25(34)13-11-23(29(39)33-22(28(31)38)12-15-27(36)37)32-26(35)14-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,34)(H2,31,38)(H,32,35)(H,33,39)(H,36,37)/t22-,23-/m0/s1","","2011-09-30","2012-06-15","N~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine",""],["QEH","(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE","C26 H55 N O7 P","O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1/fC26H55NO7P/h30H/q+1","L-ALPHA LYSOPHOSPHATIDYLCHOLINE,STEAROYL","2007-10-30","2009-09-09","(4R,7R)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide",""],["QEI","2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C12 H15 N5 O3","O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O;NC1=Nc2[nH]cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1;c1c(c2c([nH]1)N=C(NC2=O)N)CNC3C=CC(C3O)O","InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1","queuine","2007-12-13","2021-03-01","2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["QEJ","(2S)-pyrrolidine-2-carbonitrile","C5 H8 N2","N#CC1NCCC1;N#C[CH]1CCCN1;C1CC(NC1)C#N","InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h5,7H,1-3H2/t5-/m0/s1","","2012-03-15","2014-09-05","(2S)-pyrrolidine-2-carbonitrile",""],["QEK","2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid","C23 H19 Cl N4 O5 S","Cc1ccc(N[S](=O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3","InChI=1S/C23H19ClN4O5S/c1-13-6-9-20(17(10-13)23(30)31)28-34(32,33)15-8-7-14(18(24)11-15)12-25-22(29)21-16-4-2-3-5-19(16)26-27-21/h2-11,28H,12H2,1H3,(H,25,29)(H,26,27)(H,30,31)","","2020-06-10","2021-06-18","2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid","2021-06-23"],["QEL","4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol","C21 H27 N O2","OC(c1ccc(O)cc1)C(N2CCC(CC2)Cc3ccccc3)C;C[CH]([CH](O)c1ccc(O)cc1)N2CC[CH](CC2)Cc3ccccc3;CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3","InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1","Ifenprodil","2011-01-28","2020-10-21","4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol",""],["QEM","4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol","C22 H29 N O2","Oc1ccc(cc1)C(O)C(CN2CCC(CC2)Cc3ccccc3)C;C[CH](CN1CC[CH](CC1)Cc2ccccc2)[CH](O)c3ccc(O)cc3;CC(CN1CCC(CC1)Cc2ccccc2)C(c3ccc(cc3)O)O","InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1","","2011-01-28","2011-06-10","4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol",""],["QEN","5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid","C17 H12 Br N O4 S","OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3ccccc3c2;c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br","InChI=1S/C17H12BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19H,(H,20,21)","","2020-06-10","2021-06-18","5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid","2021-06-23"],["QEO","2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C17 H23 N5 O7","OC1C=CC(NCc2cn(c3N=C(N)NC(=O)c32)C2OC(CO)C(O)C2O)C1O;NC1=Nc2n(cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1)[CH]4O[CH](CO)[CH](O)[CH]4O;c1c(c2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N)CNC4C=CC(C4O)O","InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1","","2022-02-22","2022-12-16","2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2022-12-21"],["QEP","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","C33 H38 N4 O3 S","CC(OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc2cnccc2)Cc3cccc4c3cccc4)(C)C;CC(C)(C)OC(=O)N[CH](CSC[CH](Nc1ccccc1)C(=O)NCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSCC(C(=O)NCc3cccnc3)Nc4ccccc4","InChI=1S/C33H38N4O3S/c1-33(2,3)40-32(39)37-28(19-26-14-9-13-25-12-7-8-17-29(25)26)22-41-23-30(36-27-15-5-4-6-16-27)31(38)35-21-24-11-10-18-34-20-24/h4-18,20,28,30,36H,19,21-23H2,1-3H3,(H,35,38)(H,37,39)/t28-,30-/m0/s1","","2019-10-18","2020-01-31","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QEQ","2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol","C13 H14 N8 O2","Oc1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4;c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4","InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,22H,3-6H2","1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol","2020-06-10","2021-04-02","2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol","2021-04-07"],["QER","2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H13 F N2 O","Fc1cccc(c1)CC(=O)Nc1cncc2ccccc21;Fc1cccc(CC(=O)Nc2cncc3ccccc23)c1;c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)F","InChI=1S/C17H13FN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21)","","2023-08-18","2023-11-03","2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QES","tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","C31 H37 N5 O3 S","CC(OC(NC(CSCC(C(NCc1cnccc1)=O)Nc2ccccc2)Cc4c3c(cccc3)nc4)=O)(C)C;CC(C)(C)OC(=O)N[CH](CSC[CH](Nc1ccccc1)C(=O)NCc2cccnc2)Cc3c[nH]c4ccccc34;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCC(C(=O)NCc3cccnc3)Nc4ccccc4","InChI=1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28-/m1/s1","","2019-10-18","2020-01-31","tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","2020-02-05"],["QET","[5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone","C24 H23 F6 N O6 S","C[S](=O)(=O)c1ccc(OCC(F)(F)C(F)(F)F)c(c1)C(=O)N2Cc3cc(F)c(OC4CCOCC4)cc3C2;CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F","InChI=1S/C24H23F6NO6S/c1-38(33,34)17-2-3-20(36-13-23(26,27)24(28,29)30)18(10-17)22(32)31-11-14-8-19(25)21(9-15(14)12-31)37-16-4-6-35-7-5-16/h2-3,8-10,16H,4-7,11-13H2,1H3","","2020-06-10","2021-03-12","[5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone","2021-03-17"],["QEU","4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol","C18 H26 N4 O3","COc1cc2c(cc1OC)ncnc2N1CCN(CCCCO)CC1;COc1cc2ncnc(N3CCN(CCCCO)CC3)c2cc1OC;COc1cc2c(cc1OC)ncnc2N3CCN(CC3)CCCCO","InChI=1S/C18H26N4O3/c1-24-16-11-14-15(12-17(16)25-2)19-13-20-18(14)22-8-6-21(7-9-22)5-3-4-10-23/h11-13,23H,3-10H2,1-2H3","","2022-06-07","2022-11-25","4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol","2022-11-30"],["QEV","methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate","C31 H30 Cl F N6 O4","C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)cn5)C)C)=O;COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](NC(=O)c3ncn(c3C)c4cccc(Cl)c4F)c5cc2ccn5)c1;Cc1c(ncn1c2cccc(c2F)Cl)C(=O)NC3CCCC(C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C","InChI=1S/C31H30ClFN6O4/c1-17-6-4-8-23(37-30(41)28-18(2)39(16-35-28)26-9-5-7-22(32)27(26)33)25-14-19(12-13-34-25)21-11-10-20(36-31(42)43-3)15-24(21)38-29(17)40/h5,7,9-17,23H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)/t17-,23+/m1/s1","","2019-10-18","2019-12-20","methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate","2019-12-25"],["QEW","1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea","C20 H16 N4 O3 S","COc1cc2ccncc2cc1c3ccc4nc(NC(=O)NCC=O)sc4c3;COc1cc2ccncc2cc1c3ccc4c(c3)sc(n4)NC(=O)NCC=O","InChI=1S/C20H16N4O3S/c1-27-17-9-12-4-5-21-11-14(12)8-15(17)13-2-3-16-18(10-13)28-20(23-16)24-19(26)22-6-7-25/h2-5,7-11H,6H2,1H3,(H2,22,23,24,26)","","2022-10-26","2024-09-27","1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea","2023-03-01"],["QEX","N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide","C18 H16 N2 O","Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21;Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1;Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3","InChI=1S/C18H16N2O/c1-13-5-4-6-14(9-13)10-18(21)20-17-12-19-11-15-7-2-3-8-16(15)17/h2-9,11-12H,10H2,1H3,(H,20,21)","","2023-08-18","2023-11-03","N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide","2023-11-08"],["QEY","methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate","C30 H29 Cl F N7 O4","C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)nc5)N)C)=O;COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](NC(=O)c3cnn(c3N)c4cccc(Cl)c4F)c5cc2ccn5)c1;CC1CCCC(c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl","InChI=1S/C30H29ClFN7O4/c1-16-5-3-7-22(37-29(41)20-15-35-39(27(20)33)25-8-4-6-21(31)26(25)32)24-13-17(11-12-34-24)19-10-9-18(36-30(42)43-2)14-23(19)38-28(16)40/h4,6,8-16,22H,3,5,7,33H2,1-2H3,(H,36,42)(H,37,41)(H,38,40)/t16-,22+/m1/s1","","2019-10-18","2019-12-20","methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate","2019-12-25"],["QEZ","5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid","C17 H16 Br N O4 S","OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2;c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2","InChI=1S/C17H16BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21)","","2020-06-11","2021-06-18","5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid","2021-06-23"],["QF0","(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid","C14 H15 N O2","O=C(O)CC(N)Cc1ccc2ccccc2c1;N[CH](CC(O)=O)Cc1ccc2ccccc2c1;c1ccc2cc(ccc2c1)CC(CC(=O)O)N","InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1","","2022-06-07","2024-09-27","(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid","2023-06-14"],["QF1","5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide","C15 H17 Br Cl N3 O5 S2","CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O;C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3;CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br","InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3","","2019-10-21","2020-04-10","5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide","2020-04-15"],["QF2","6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione","C17 H19 N3 O5","COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14;COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4","InChI=1S/C17H19N3O5/c1-23-13-4-10(5-14-16(13)25-9-24-14)7-20(12-2-3-12)8-11-6-15(21)19-17(22)18-11/h4-6,12H,2-3,7-9H2,1H3,(H2,18,19,21,22)","","2020-06-12","2020-07-24","6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione","2020-07-29"],["QF3","(2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C29 H38 N4 O6 S","COCCOc1cc(ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(C)c3ccc(cc3OCCOC)c4c(ncs4)C)O","InChI=1S/C29H38N4O6S/c1-16(2)26(25-11-17(3)32-39-25)29(36)33-14-21(34)13-23(33)28(35)31-18(4)22-8-7-20(27-19(5)30-15-40-27)12-24(22)38-10-9-37-6/h7-8,11-12,15-16,18,21,23,26,34H,9-10,13-14H2,1-6H3,(H,31,35)/t18-,21+,23-,26+/m0/s1","","2022-10-26","2023-02-10","(2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QF4","benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate","C23 H26 F N5 O4 S","N3(S(F)(=Nc2cccc(CC(C#N)NC(=O)OCc1ccccc1)c2)=O)CCC(CC3)C(=O)N;NC(=O)C1CCN(CC1)[S](F)(=O)=Nc2cccc(C[CH](NC(=O)OCc3ccccc3)C#N)c2;c1ccc(cc1)COC(=O)NC(Cc2cccc(c2)N=S(=O)(N3CCC(CC3)C(=O)N)F)C#N","InChI=1S/C23H26FN5O4S/c24-34(32,29-11-9-19(10-12-29)22(26)30)28-20-8-4-7-18(13-20)14-21(15-25)27-23(31)33-16-17-5-2-1-3-6-17/h1-8,13,19,21H,9-12,14,16H2,(H2,26,30)(H,27,31)/t21-,34-/m0/s1","","2019-10-21","2020-08-21","benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate","2020-08-26"],["QF5","N-(isoquinolin-4-yl)-2-phenylacetamide","C17 H14 N2 O","O=C(Cc1ccccc1)Nc1cncc2ccccc21;O=C(Cc1ccccc1)Nc2cncc3ccccc23;c1ccc(cc1)CC(=O)Nc2cncc3c2cccc3","InChI=1S/C17H14N2O/c20-17(10-13-6-2-1-3-7-13)19-16-12-18-11-14-8-4-5-9-15(14)16/h1-9,11-12H,10H2,(H,19,20)","","2023-08-18","2023-11-03","N-(isoquinolin-4-yl)-2-phenylacetamide","2023-11-08"],["QF6","8-methoxyquinolin-4-amine","C10 H10 N2 O","COc1cccc2c(N)ccnc12;COc1cccc2c(N)ccnc12;COc1cccc2c1nccc2N","InChI=1S/C10H10N2O/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3,(H2,11,12)","","2022-06-07","2023-11-03","8-methoxyquinolin-4-amine","2023-11-08"],["QF7","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C29 H38 F N5 O5 S","CNC(=O)C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C;Cc1c(scn1)c2ccc(cc2)C(CC(=O)NC)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O","InChI=1S/C29H38FN5O5S/c1-16-23(41-15-32-16)18-8-6-17(7-9-18)20(13-22(37)31-5)33-25(38)21-12-19(36)14-35(21)26(39)24(28(2,3)4)34-27(40)29(30)10-11-29/h6-9,15,19-21,24,36H,10-14H2,1-5H3,(H,31,37)(H,33,38)(H,34,40)/t19-,20+,21+,24-/m1/s1","","2022-10-26","2023-02-10","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QF8","~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide","C22 H26 N10 O","CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCNC5)c(C)n4)cc12;Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)NC5CCNC5","InChI=1S/C22H26N10O/c1-13-17(26-15-6-8-24-11-15)12-32(29-13)19-7-9-25-22(28-19)27-14-4-5-18-16(10-14)20(21(33)23-2)30-31(18)3/h4-5,7,9-10,12,15,24,26H,6,8,11H2,1-3H3,(H,23,33)(H,25,27,28)/t15-/m1/s1","","2020-06-15","2021-06-18","~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide","2021-06-23"],["QF9","2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide","C18 H12 Cl N3 O","N#Cc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21;Clc1cc(CC(=O)Nc2cncc3ccccc23)cc(c1)C#N;c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C#N","InChI=1S/C18H12ClN3O/c19-15-6-12(5-13(7-15)9-20)8-18(23)22-17-11-21-10-14-3-1-2-4-16(14)17/h1-7,10-11H,8H2,(H,22,23)","","2023-08-18","2023-11-03","2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QFB","7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide","C22 H26 N10 O2","CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(N[CH]5CCOC[CH]5N)cn4)cc12;Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)NC5CCOCC5N)C(=O)NC","InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1","","2020-06-15","2021-06-18","7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide","2021-06-23"],["QFC","Mezigdomide","C32 H30 F N5 O4","O=C1NC(=O)CCC1N1Cc2c(cccc2OCc2ccc(cc2)CN2CCN(CC2)c2ccc(C#N)cc2F)C1=O;Fc1cc(ccc1N2CCN(CC2)Cc3ccc(COc4cccc5C(=O)N(Cc45)[CH]6CCC(=O)NC6=O)cc3)C#N;c1cc2c(c(c1)OCc3ccc(cc3)CN4CCN(CC4)c5ccc(cc5F)C#N)CN(C2=O)C6CCC(=O)NC6=O","InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1","","2022-06-08","2022-07-15","4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile","2022-07-20"],["QFD","(3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","C19 H20 N2 O5","c3c(ccc(CC1C(NC(C(=O)N1)Cc2ccc(O)cc2)=O)c3)OCO;OCOc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)OCO)O","InChI=1S/C19H20N2O5/c22-11-26-15-7-3-13(4-8-15)10-17-19(25)20-16(18(24)21-17)9-12-1-5-14(23)6-2-12/h1-8,16-17,22-23H,9-11H2,(H,20,25)(H,21,24)/t16-,17-/m0/s1","","2019-10-21","2020-04-24","(3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-29"],["QFE","(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine","C23 H24 N8 O","Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[CH]6CCOC[CH]6N)cn5)c4n3;Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)NC6CCOCC6N","InChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1","","2020-06-15","2021-06-18","(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine","2021-06-23"],["QFF","(2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide","C24 H28 N4 O5 S","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NOc2ccc(cc2)c3scnc3C)c4onc(C)c4;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NOc3ccc(cc3)c4c(ncs4)C)O","InChI=1S/C24H28N4O5S/c1-13(2)21(20-9-14(3)26-33-20)24(31)28-11-17(29)10-19(28)23(30)27-32-18-7-5-16(6-8-18)22-15(4)25-12-34-22/h5-9,12-13,17,19,21,29H,10-11H2,1-4H3,(H,27,30)/t17-,19+,21-/m1/s1","","2022-10-26","2023-02-10","(2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QFG","{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C16 H16 N4 O4","O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc2;NC(=O)CCC(=N)C1=NC(=Cc2ccccc2)C(=O)N1CC(O)=O;c1ccc(cc1)C=C2C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O","InChI=1S/C16H16N4O4/c17-11(6-7-13(18)21)15-19-12(8-10-4-2-1-3-5-10)16(24)20(15)9-14(22)23/h1-5,8,17H,6-7,9H2,(H2,18,21)(H,22,23)/b12-8+,17-11+","CHROMOPHORE (GLN-PHE-GLY)","2011-10-13","2024-09-27","{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["QFH","(2S,3S)-2,3-dihydroxy-2-methylbutanoic acid","C5 H10 O4","O=C(O)C(O)(C)C(O)C;C[CH](O)[C](C)(O)C(O)=O;CC(C(C)(C(=O)O)O)O","InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5-/m0/s1","","2013-06-12","2014-09-05","(2S,3S)-2,3-dihydroxy-2-methylbutanoic acid","2013-09-11"],["QFI","({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID","C29 H41 N2 O12 P S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccc(OCP(=O)(O)O)cc4;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(OC[P](O)(O)=O)cc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H41N2O12PS/c1-19(2)15-31(45(37,38)23-10-8-21(39-3)9-11-23)16-26(32)25(14-20-4-6-22(7-5-20)42-18-44(34,35)36)30-29(33)43-27-17-41-28-24(27)12-13-40-28/h4-11,19,24-28,32H,12-18H2,1-3H3,(H,30,33)(H2,34,35,36)/t24-,25-,26+,27-,28+/m0/s1","","2006-08-24","2011-06-04","({4-[(2S,3R)-2-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl]phenoxy}methyl)phosphonic acid",""],["QFJ","propionylthiocholine","C8 H18 N O S","C[N+](C)(C)CCSC(CC)=O;CCC(=O)SCC[N+](C)(C)C;CCC(=O)SCC[N+](C)(C)C","InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1","N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium","2019-10-22","2020-06-17","N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium","2020-05-13"],["QFK","7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide","C20 H23 N9 O","CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(CN(C)C)cn4)cc12;Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC","InChI=1S/C20H23N9O/c1-13-24-18(19(30)21-2)16-9-15(6-8-28(13)16)25-20-22-7-5-17(26-20)29-12-14(10-23-29)11-27(3)4/h5-10,12H,11H2,1-4H3,(H,21,30)(H,22,25,26)","","2020-06-15","2021-06-18","7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide","2021-06-23"],["QFL","2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H13 F N2 O","Fc1ccc(cc1)CC(=O)Nc1cncc2ccccc21;Fc1ccc(CC(=O)Nc2cncc3ccccc23)cc1;c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)F","InChI=1S/C17H13FN2O/c18-14-7-5-12(6-8-14)9-17(21)20-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11H,9H2,(H,20,21)","","2023-08-18","2023-11-03","2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QFM","2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole","C10 H11 Cl N2 S","C1N=C(NC1)SCc2ccccc2Cl;Clc1ccccc1CSC2=NCCN2;c1ccc(c(c1)CSC2=NCCN2)Cl","InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)","2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole","2019-10-22","2021-03-13","2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole","2019-11-20"],["QFN","(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one","C22 H21 Cl N4 O2","CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O;Cc1c2c(n(n1)C3CC3)C(=O)N(C2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C","InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1","","2020-06-15","2020-12-18","(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one","2020-12-23"],["QFO","(3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol","C26 H34 F N7 O3 S","CS(=O)(=O)CC1CN(C1)c1ncc(C(C)C)c2cc(ncc21)Nc1nc(ncc1)N1CCC(O)C(C)(F)C1;CC(C)c1cnc(N2CC(C2)C[S](C)(=O)=O)c3cnc(Nc4ccnc(n4)N5CC[CH](O)[C](C)(F)C5)cc13;CC(C)c1cnc(c2c1cc(nc2)Nc3ccnc(n3)N4CCC(C(C4)(C)F)O)N5CC(C5)CS(=O)(=O)C","InChI=1S/C26H34FN7O3S/c1-16(2)19-10-30-24(34-12-17(13-34)14-38(4,36)37)20-11-29-23(9-18(19)20)31-22-5-7-28-25(32-22)33-8-6-21(35)26(3,27)15-33/h5,7,9-11,16-17,21,35H,6,8,12-15H2,1-4H3,(H,28,29,31,32)/t21-,26+/m1/s1","","2022-06-08","2022-07-22","(3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol","2022-07-27"],["QFP","2-hydroxyethyl hydrogen phenylboronate","C8 H11 B O3","c1ccccc1B(OCCO)O;OCCOB(O)c1ccccc1;B(c1ccccc1)(O)OCCO","InChI=1S/C8H11BO3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2","","2019-10-23","2024-09-27","2-hydroxyethyl hydrogen phenylboronate","2019-10-30"],["QFQ","~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide","C23 H28 N10 O","CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCCNC5)c(C)n4)cc12;Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)NC5CCCNC5","InChI=1S/C23H28N10O/c1-14-18(27-16-5-4-9-25-12-16)13-33(30-14)20-8-10-26-23(29-20)28-15-6-7-19-17(11-15)21(22(34)24-2)31-32(19)3/h6-8,10-11,13,16,25,27H,4-5,9,12H2,1-3H3,(H,24,34)(H,26,28,29)/t16-/m1/s1","","2020-06-15","2021-06-18","~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide","2021-06-23"],["QFR","(2~{R})-3-methyl-1-[(2~{S},4~{R})-2-[(5~{R})-5-methyl-5-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-4~{H}-1,2,4-oxadiazol-3-yl]-4-oxidanyl-pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one","C26 H31 N5 O4 S","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C2=NO[C](C)(N2)c3ccc(cc3)c4scnc4C)c5onc(C)c5;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C3=NOC(N3)(C)c4ccc(cc4)c5c(ncs5)C)O","InChI=1S/C26H31N5O4S/c1-14(2)22(21-10-15(3)29-34-21)25(33)31-12-19(32)11-20(31)24-28-26(5,35-30-24)18-8-6-17(7-9-18)23-16(4)27-13-36-23/h6-10,13-14,19-20,22,32H,11-12H2,1-5H3,(H,28,30)/t19-,20+,22-,26-/m1/s1","","2022-10-26","2023-02-10","(2~{R})-3-methyl-1-[(2~{S},4~{R})-2-[(5~{R})-5-methyl-5-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-4~{H}-1,2,4-oxadiazol-3-yl]-4-oxidanyl-pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one","2023-02-15"],["QFS","2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate","C9 H13 B O4","c1ccc(cc1B(OCCO)O)OC;COc1cccc(c1)B(O)OCCO;B(c1cccc(c1)OC)(O)OCCO","InChI=1S/C9H13BO4/c1-13-9-4-2-3-8(7-9)10(12)14-6-5-11/h2-4,7,11-12H,5-6H2,1H3","","2019-10-23","2024-09-27","2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate","2019-10-30"],["QFT","2-fluoranyl-5-nitro-phenol","C6 H4 F N O3","Fc1ccc(cc1O)[N+]([O-])=O;Oc1cc(ccc1F)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])O)F","InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H","","2020-06-15","2026-04-05","2-fluoro-5-nitrophenol","2021-01-13"],["QFU","2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide","C18 H13 N3 O","N#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21;O=C(Cc1cccc(c1)C#N)Nc2cncc3ccccc23;c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C#N","InChI=1S/C18H13N3O/c19-10-14-5-3-4-13(8-14)9-18(22)21-17-12-20-11-15-6-1-2-7-16(15)17/h1-8,11-12H,9H2,(H,21,22)","","2023-08-18","2023-11-03","2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QFV","2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide","C31 H29 Cl N6 O3 S","c6c1c(cccc1NS(c2c(cccc2)Cl)(=O)=O)c(Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)c(C)c6;Cc1ccc2c(N[S](=O)(=O)c3ccccc3Cl)cccc2c1Oc4ncccc4c5ccnc(N[CH]6CCCNC6)n5;Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl","InChI=1S/C31H29ClN6O3S/c1-20-13-14-22-23(8-4-11-27(22)38-42(39,40)28-12-3-2-10-25(28)32)29(20)41-30-24(9-6-17-34-30)26-15-18-35-31(37-26)36-21-7-5-16-33-19-21/h2-4,6,8-15,17-18,21,33,38H,5,7,16,19H2,1H3,(H,35,36,37)/t21-/m0/s1","","2019-10-24","2019-11-01","2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide","2019-11-06"],["QFW","4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid","C20 H19 N O5 S","CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc3)C(O)=O;CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)C(=O)O","InChI=1S/C20H19NO5S/c1-2-11-26-18-9-5-16-13-19(10-6-15(16)12-18)27(24,25)21-17-7-3-14(4-8-17)20(22)23/h3-10,12-13,21H,2,11H2,1H3,(H,22,23)","4-{[(6-propoxy-2-naphtyl)sulfonyl]amino}benzoic acid","2020-06-15","2023-05-11","4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid","2021-03-17"],["QFX","(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine","C17 H11 Cl N4 O","Clc1nnc2ccc(nn12)Oc1ccccc1c1ccccc1;Clc1nnc2ccc(Oc3ccccc3c4ccccc4)nn12;c1ccc(cc1)c2ccccc2Oc3ccc4nnc(n4n3)Cl","InChI=1S/C17H11ClN4O/c18-17-20-19-15-10-11-16(21-22(15)17)23-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H","","2022-06-09","2022-12-09","(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine","2022-12-14"],["QFY","{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)","C24 H32 Fe N6 O2 S","C12NC(=O)NC1CSC2CCCCC(NCC[N+]43Cc6[n+]([Fe]3[n+]5c(C4)cccc5)cccc6)=O;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN3Cc4cccc[n+]4[Fe][n+]5ccccc5C3;c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19;/h3-8,11-12,20-21,23H,1-2,9-10,13-17H2,(H,27,31)(H2,28,29,32);/q;+3/t20-,21-,23-;/m0./s1","","2019-10-25","2020-05-01","{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)","2020-05-06"],["QFZ","2,3,4,5,6-pentakis(fluoranyl)phenol","C6 H F5 O","Oc1c(F)c(F)c(F)c(F)c1F;c1(c(c(c(c(c1F)F)F)F)F)O","InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H","","2020-06-15","2021-01-08","2,3,4,5,6-pentakis(fluoranyl)phenol","2021-01-13"],["QG0","5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol","C11 H13 Cl N4 S","Sc1nnc(CNc2ccccc2Cl)n1CC;CCn1c(S)nnc1CNc2ccccc2Cl;CCn1c(nnc1S)CNc2ccccc2Cl","InChI=1S/C11H13ClN4S/c1-2-16-10(14-15-11(16)17)7-13-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,15,17)","","2023-05-08","2023-06-09","5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol","2023-06-14"],["QG1","{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+)","C24 H32 Fe N6 O2 S","C12NC(=O)NC1CSC2CCCCC(NCC[N+]5(Cc3ncccc3)Cc4cccc[n+]4[Fe]5)=O;[Fe][n+]1ccccc1CN(CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)Cc4ccccn4;c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19;/h3-8,11-12,20-21,23H,1-2,9-10,13-17H2,(H,27,31)(H2,28,29,32);/q;+2/t20-,21-,23-;/m0./s1","","2019-10-25","2020-05-01","{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+)","2020-05-06"],["QG2","(2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C22 H27 N O19 S2","CC1=CC(=O)Oc2cc(O[CH]3O[CH]([CH](O[CH]4O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]4N[S](O)(=O)=O)[CH](O)[CH]3O)C(O)=O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)C(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O","InChI=1S/C22H27NO19S2/c1-7-4-12(24)39-10-5-8(2-3-9(7)10)38-22-17(28)16(27)18(19(42-22)20(29)30)41-21-13(23-43(31,32)33)15(26)14(25)11(40-21)6-37-44(34,35)36/h2-5,11,13-19,21-23,25-28H,6H2,1H3,(H,29,30)(H,31,32,33)(H,34,35,36)/t11-,13-,14-,15-,16-,17-,18+,19+,21-,22-/m1/s1","","2020-06-16","2020-10-16","(2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2020-10-21"],["QG3","2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H12 F2 N2 O","Fc1cc(cc(F)c1)CC(=O)Nc1cncc2ccccc21;Fc1cc(F)cc(CC(=O)Nc2cncc3ccccc23)c1;c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)F)F","InChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22)","","2023-08-18","2023-11-03","2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QG4","{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+)","C24 H33 Fe N9 O2 S","O=C1NC2C(N1)C(SC2)CCCCC(NCC[N+]43Cc6[n+]([Fe]3([n+]5c(C4)cccc5)N=[N+]=N)cccc6)=O;N=[N+]=N[Fe]1[n+]2ccccc2CN(CCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)Cc5cccc[n+]15;c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C24H32N6O2S.Fe.HN3/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19;;1-3-2/h3-8,11-12,20-21,23H,1-2,9-10,13-17H2,(H,27,31)(H2,28,29,32);;1H/q;+4;/t20-,21-,23-;;/m0../s1","","2019-10-25","2020-05-01","{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+)","2020-05-06"],["QG5","(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","C18 H15 N5 O2","NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C;Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23;Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O","InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25)","","2022-06-09","2022-07-22","(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","2022-07-27"],["QG6","(1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid","C16 H28 O4","CCC[CH](C)CCCOC(=O)[CH]1CCCC[CH]1C(O)=O;CCCC(C)CCCOC(=O)C1CCCCC1C(=O)O","InChI=1S/C16H28O4/c1-3-7-12(2)8-6-11-20-16(19)14-10-5-4-9-13(14)15(17)18/h12-14H,3-11H2,1-2H3,(H,17,18)/t12-,13+,14-/m1/s1","MINCH","2022-10-28","2023-05-15","(1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid","2023-03-08"],["QG7","N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C24 H32 N6 O2 S","C12C(NC(=O)N1)CSC2CCCCC(NCCN(Cc3ncccc3)Cc4ccccn4)=O;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(Cc3ccccn3)Cc4ccccn4;c1ccnc(c1)CN(CCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)Cc4ccccn4","InChI=1S/C24H32N6O2S/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19/h3-8,11-12,20-21,23H,1-2,9-10,13-17H2,(H,27,31)(H2,28,29,32)/t20-,21-,23-/m0/s1","","2019-10-25","2020-05-01","N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2020-05-06"],["QG8","METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE","C44 H52 N4 O6","O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccccc1)cc2)CCCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C;COC(=O)N[CH](C(=O)NN(CCC[C]1(Cc2ccccc2)[CH](O)CN([CH]3[CH](O)Cc4ccccc34)C1=O)Cc5ccc(cc5)c6ccccc6)C(C)(C)C;CC(C)(C)C(C(=O)NN(CCCC1(C(CN(C1=O)C2c3ccccc3CC2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC","InChI=1S/C44H52N4O6/c1-43(2,3)39(45-42(53)54-4)40(51)46-47(28-31-20-22-33(23-21-31)32-16-9-6-10-17-32)25-13-24-44(27-30-14-7-5-8-15-30)37(50)29-48(41(44)52)38-35-19-12-11-18-34(35)26-36(38)49/h5-12,14-23,36-39,49-50H,13,24-29H2,1-4H3,(H,45,53)(H,46,51)/t36-,37-,38+,39-,44+/m1/s1","","2011-11-02","2012-05-04","methyl [(1S)-1-{[2-(3-{(3S,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}propyl)-2-(biphenyl-4-ylmethyl)hydrazino]carbonyl}-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["QG9","METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE","C43 H51 N5 O6","O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc2)CCCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C;COC(=O)N[CH](C(=O)NN(CCC[C]1(Cc2ccccc2)[CH](O)CN([CH]3[CH](O)Cc4ccccc34)C1=O)Cc5ccc(cc5)c6ccncc6)C(C)(C)C;CC(C)(C)C(C(=O)NN(CCCC1(C(CN(C1=O)C2c3ccccc3CC2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC","InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-15-17-31(18-16-30)32-19-22-44-23-20-32)24-10-21-43(26-29-11-6-5-7-12-29)36(50)28-48(40(43)52)37-34-14-9-8-13-33(34)25-35(37)49/h5-9,11-20,22-23,35-38,49-50H,10,21,24-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1","","2011-11-01","2014-09-05","methyl [(2S)-1-{2-(3-{(3S,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}propyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate (non-preferred name)",""],["QGA","1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-1-DEOXY-D-ALLITOL","C17 H33 N O7","O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCC1CCCCC1;OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CCC1CCCCC1;C1CCC(CC1)CCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O","InChI=1S/C17H33NO7/c19-9-8-18(10-13(21)16(24)17(25)14(22)11-20)15(23)7-6-12-4-2-1-3-5-12/h12-14,16-17,19-22,24-25H,1-11H2/t13-,14+,16-,17+/m0/s1","","2007-02-14","2011-06-04","1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-allitol",""],["QGB","5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine","C19 H27 Cl N6 O","C[CH]1CN(C2CCN(CC2)c3[nH]nc(N)n3)[CH](CO1)Cc4ccc(Cl)cc4;CC1CN(C(CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N","InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1","5-[4-[(2~{S},5~{S})-5-[(4-chlorophenyl)methyl]-2-methyl-morpholin-4-yl]piperidin-1-yl]-1~{H}-1,2,4-triazol-3-amine","2020-06-16","2021-03-13","5-[4-[(2~{S},5~{S})-5-[(4-chlorophenyl)methyl]-2-methyl-morpholin-4-yl]piperidin-1-yl]-1~{H}-1,2,4-triazol-3-amine","2020-11-11"],["QGC","(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide","C22 H19 Cl N6 O","Clc1ccc2c(c1)C(CCN2Cc1nnc[NH]1)C(=O)Nc1cncc2ccccc21;Clc1ccc2N(CC[CH](C(=O)Nc3cncc4ccccc34)c2c1)Cc5[nH]cnn5;c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]cnn5","InChI=1S/C22H19ClN6O/c23-15-5-6-20-18(9-15)17(7-8-29(20)12-21-25-13-26-28-21)22(30)27-19-11-24-10-14-3-1-2-4-16(14)19/h1-6,9-11,13,17H,7-8,12H2,(H,27,30)(H,25,26,28)/t17-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["QGD","O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine","C40 H80 N O9 P","C(O)(C(COP(OCC(COCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)(=O)O)N)=O;CCCCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCC","InChI=1S/C40H80NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-47-34-37(35-48-51(45,46)49-36-38(41)40(43)44)50-39(42)32-30-28-26-24-22-14-12-10-8-6-4-2/h37-38H,3-36,41H2,1-2H3,(H,43,44)(H,45,46)/t37-,38+/m1/s1","","2019-10-28","2020-10-23","O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine","2020-10-28"],["QGE","[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate","C18 H17 N O4 S","CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n3;CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C","InChI=1S/C18H17NO4S/c1-4-5-12-6-13-16(7-15(12)23-11(3)20)22-8-14(17(13)21)18-19-10(2)9-24-18/h6-9H,4-5H2,1-3H3","","2020-06-16","2020-09-11","[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate","2020-09-16"],["QGF","N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide","C23 H29 Cl2 F N4 O5 S","O=S(=O)(N2CCC(OCc1ccc(Cl)cc1Cl)CC2)CC(N(O)C=O)(C)CC(c3ncc(F)cn3)C;C[CH](C[C](C)(C[S](=O)(=O)N1CC[CH](CC1)OCc2ccc(Cl)cc2Cl)N(O)C=O)c3ncc(F)cn3;CC(CC(C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F","InChI=1S/C23H29Cl2FN4O5S/c1-16(22-27-11-19(26)12-28-22)10-23(2,30(32)15-31)14-36(33,34)29-7-5-20(6-8-29)35-13-17-3-4-18(24)9-21(17)25/h3-4,9,11-12,15-16,20,32H,5-8,10,13-14H2,1-2H3/t16-,23-/m0/s1","","2011-01-07","2011-06-04","N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide",""],["QGG","1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE","C15 H16 Cl N5 O4 S","O=C(O)C3N(S(=O)(=O)c2cc1c(/N=C(N)N)ncc(Cl)c1cc2)CCC3;NC(N)=Nc1ncc(Cl)c2ccc(cc12)[S](=O)(=O)N3CCC[CH]3C(O)=O;c1cc2c(cc1S(=O)(=O)N3CCCC3C(=O)O)c(ncc2Cl)N=C(N)N","InChI=1S/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/m1/s1","","2008-02-07","2011-06-04","1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-D-proline",""],["QGH","(1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","C12 H14 N2","C[CH]1NCCc2c1[nH]c3ccccc23;CC1c2c(c3ccccc3[nH]2)CCN1","InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1","","2020-06-16","2020-08-28","(1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2020-09-02"],["QGI","(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide","C18 H20 N4 O2","NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C;Cc1cc2c(nc1C)n(c(N)c2C(N)=O)c3c(C)ccc(O)c3C;Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O","InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)","","2022-06-09","2022-07-22","(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide","2022-07-27"],["QGJ","1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide","C19 H24 N3 O9 P","C1(CC(C(COP(=O)(O)O)O1)O)N2C(=O)NC(C(=C2)C(NCCCc3ccccc3)=O)=O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCCCc3ccccc3)C(=O)NC2=O;c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C19H24N3O9P/c23-14-9-16(31-15(14)11-30-32(27,28)29)22-10-13(18(25)21-19(22)26)17(24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10,14-16,23H,4,7-9,11H2,(H,20,24)(H,21,25,26)(H2,27,28,29)/t14-,15-,16-/m1/s1","","2019-10-28","2021-10-29","1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide","2021-11-03"],["QGK","(1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","C12 H14 N2","C[CH]1NCCc2c1[nH]c3ccccc23;CC1c2c(c3ccccc3[nH]2)CCN1","InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m0/s1","","2020-06-16","2020-08-28","(1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2020-09-02"],["QGL","2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid","C16 H22 O4","CCCC[CH](CC)COC(=O)c1ccccc1C(O)=O;CCCCC(CC)COC(=O)c1ccccc1C(=O)O","InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1","MEHP","2022-10-28","2023-03-03","2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid","2023-03-08"],["QGM","(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid","C17 H15 Cl2 N3 O3","N1c3c(C(CC1C(O)=O)NC(Nc2ccccc2)=O)c(cc(c3)Cl)Cl;OC(=O)[CH]1C[CH](NC(=O)Nc2ccccc2)c3c(Cl)cc(Cl)cc3N1;c1ccc(cc1)NC(=O)NC2CC(Nc3c2c(cc(c3)Cl)Cl)C(=O)O","InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m0/s1","","2019-10-29","2020-07-10","(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid","2020-07-15"],["QGN","4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine","C7 H9 N5","Cc1nnc2[nH]nc(N)c2c1C;Cc1c(nnc2c1c(n[nH]2)N)C","InChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)","","2020-06-16","2020-07-24","4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine","2020-07-29"],["QGO","(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C23 H22 Cl N3 O3","CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;CN(C)C(=O)C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CN(C)C(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QGP","(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid","C16 H16 Cl2 N O6 P","c2(c(CP(O)(=O)O)cc(c1c(cc(Cl)cc1)Cl)cc2CC(N)C(O)=O)O;N[CH](Cc1cc(cc(C[P](O)(O)=O)c1O)c2ccc(Cl)cc2Cl)C(O)=O;c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)CC(C(=O)O)N","InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1","","2019-10-29","2020-07-10","(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid (non-preferred name)","2020-07-15"],["QGQ","3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole","C11 H13 N3 O S","Cc1onc(C)c1CSc2cc(C)ncn2;Cc1cc(ncn1)SCc2c(noc2C)C","InChI=1S/C11H13N3OS/c1-7-4-11(13-6-12-7)16-5-10-8(2)14-15-9(10)3/h4,6H,5H2,1-3H3","","2020-06-16","2020-07-24","3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole","2020-07-29"],["QGR","(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","C19 H16 Br N5 O2","NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C;Cc1ccc(O)c(C)c1n2c(N)c(C(N)=O)c3nc4cc(Br)ccc4nc23;Cc1ccc(c(c1n2c(c(c3c2nc4ccc(cc4n3)Br)C(=O)N)N)C)O","InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27)","","2022-06-09","2022-07-22","(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","2022-07-27"],["QGS","1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid","C28 H28 N2 O4","c1n(c2c(cccc2c1)C(O)=O)CC(c5cc(c4ccc3c(C(CO3)N)c4)cc(c5)C(C)C)O;CC(C)c1cc(cc(c1)c2ccc3OC[CH](N)c3c2)[CH](O)Cn4ccc5cccc(C(O)=O)c45;CC(C)c1cc(cc(c1)C(Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)C(CO5)N","InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1","","2019-10-29","2020-06-26","1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid","2020-07-01"],["QGT","~{N}-tridecylmethanethioamide","C14 H29 N S","CCCCCCCCCCCCCNC=S;CCCCCCCCCCCCCNC=S","InChI=1S/C14H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16/h14H,2-13H2,1H3,(H,15,16)","Tetradecyl-1-isothiocyanate (reacted form); TITC (reacted form)","2020-06-16","2024-09-27","~{N}-tridecylmethanethioamide","2023-07-12"],["QGV","(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone","C19 H14 N4 O2","n2cc(cc3c(C)nn(c1ncccc1)c23)C(=O)c4ccccc4O;Cc1nn(c2ccccn2)c3ncc(cc13)C(=O)c4ccccc4O;Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O","InChI=1S/C19H14N4O2/c1-12-15-10-13(18(25)14-6-2-3-7-16(14)24)11-21-19(15)23(22-12)17-8-4-5-9-20-17/h2-11,24H,1H3","","2019-10-29","2019-12-06","(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone","2019-12-11"],["QGW","[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate","C19 H19 N O4 S","CCCc1cc2C(=O)C(=C(C)Oc2cc1OC(C)=O)c3scc(C)n3;CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C","InChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3","","2020-06-16","2020-09-11","[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate","2020-09-16"],["QGX","(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H13 Cl2 N3 O","Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21;N[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)N","InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1","","2023-08-18","2023-11-03","(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QGY","(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","C19 H16 Br N5 O2","NC(=O)c1c2nc3c(Br)cccc3nc2n(c1N)c1c(C)ccc(O)c1C;Cc1ccc(O)c(C)c1n2c(N)c(C(N)=O)c3nc4c(Br)cccc4nc23;Cc1ccc(c(c1n2c(c(c3c2nc4cccc(c4n3)Br)C(=O)N)N)C)O","InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27)","","2022-06-09","2022-07-22","(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","2022-07-27"],["QGZ","5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid","C19 H17 N3 O4 S","OC(=O)c1cnn(c2cccc(N[S](=O)(=O)c3ccccc3)c2)c1C4CC4;c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4","InChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24)","","2020-06-17","2021-04-09","5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid","2021-04-14"],["QH0","(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1-[(3R)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate","C22 H32 N4 O6","CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC[N+]([O-])=O)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC[N+](=O)[O-])CC1CCNC1=O)NC(=O)OCc2ccccc2","InChI=1S/C22H32N4O6/c1-15(2)12-19(25-22(29)32-14-16-6-4-3-5-7-16)21(28)24-18(9-11-26(30)31)13-17-8-10-23-20(17)27/h3-7,15,17-19H,8-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17-,18-,19+/m1/s1","","2022-10-31","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate","2023-11-08"],["QH1","N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide","C28 H31 F2 N7 O3 S","O=C(C)N1CCC(CC1)N(C)c1ccc2n(cc(c3cncnc3)c2n1)c1c(F)ccc(NS(=O)(=O)CCC)c1F;CCC[S](=O)(=O)Nc1ccc(F)c(n2cc(c3cncnc3)c4nc(ccc24)N(C)C5CCN(CC5)C(C)=O)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F","InChI=1S/C28H31F2N7O3S/c1-4-13-41(39,40)34-23-6-5-22(29)28(26(23)30)37-16-21(19-14-31-17-32-15-19)27-24(37)7-8-25(33-27)35(3)20-9-11-36(12-10-20)18(2)38/h5-8,14-17,20,34H,4,9-13H2,1-3H3","","2019-10-31","2021-03-15","N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide","2020-06-03"],["QH2","1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid","C27 H23 N3 O6 S","OC(=O)CN(c1cccc(c1)n2ncc(C(O)=O)c2[CH]3C[CH]3c4ccccc4)[S](=O)(=O)c5ccccc5;c1ccc(cc1)C2CC2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O","InChI=1S/C27H23N3O6S/c31-25(32)17-29(37(35,36)21-12-5-2-6-13-21)19-10-7-11-20(14-19)30-26(24(16-28-30)27(33)34)23-15-22(23)18-8-3-1-4-9-18/h1-14,16,22-23H,15,17H2,(H,31,32)(H,33,34)/t22-,23+/m1/s1","","2020-06-17","2021-04-09","1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid","2021-04-14"],["QH3","3,4-dichlorobenzyl carbamimidothioate","C8 H8 Cl2 N2 S","Clc1ccc(cc1Cl)CSC(=[N@H])N;NC(=N)SCc1ccc(Cl)c(Cl)c1;c1cc(c(cc1CSC(=N)N)Cl)Cl","InChI=1S/C8H8Cl2N2S/c9-6-2-1-5(3-7(6)10)4-13-8(11)12/h1-3H,4H2,(H3,11,12)","","2014-04-19","2014-06-06","3,4-dichlorobenzyl carbamimidothioate","2014-06-11"],["QH4","{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile","C32 H39 N7 O2","C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C;CCC(=O)N1CCN(C[CH]1CC#N)c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6ccccc56;CCC(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5cccc6","InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1","","2019-11-01","2024-09-27","{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile","2020-04-22"],["QH5","~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide","C19 H17 N7 O2 S","O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5;c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5","InChI=1S/C19H17N7O2S/c27-29(28,16-7-2-1-3-8-16)23-14-5-4-6-15(11-14)26-18(13-9-10-13)17(12-20-26)19-21-24-25-22-19/h1-8,11-13,23H,9-10H2,(H,21,22,24,25)","","2020-06-17","2021-04-09","~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide","2021-04-14"],["QH6","2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H12 Cl F N2 O","Fc1ccc(cc1Cl)CC(=O)Nc1cncc2ccccc21;Fc1ccc(CC(=O)Nc2cncc3ccccc23)cc1Cl;c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)F","InChI=1S/C17H12ClFN2O/c18-14-7-11(5-6-15(14)19)8-17(22)21-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,9-10H,8H2,(H,21,22)","","2023-08-18","2023-11-03","2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QH7","2,3,6-trifluoro-N-hydroxybenzamide","C7 H4 F3 N O2","Fc1c(C(=O)NO)c(F)ccc1F;ONC(=O)c1c(F)ccc(F)c1F;c1cc(c(c(c1F)C(=O)NO)F)F","InChI=1S/C7H4F3NO2/c8-3-1-2-4(9)6(10)5(3)7(12)11-13/h1-2,13H,(H,11,12)","","2022-06-10","2022-09-23","2,3,6-trifluoro-N-hydroxybenzamide","2022-09-28"],["QH8","1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid","C25 H27 N3 O6 S","CCCCc1ccc(cc1)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4;CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4","InChI=1S/C25H27N3O6S/c1-2-3-5-17-8-12-21(13-9-17)35(33,34)27(16-23(29)30)19-6-4-7-20(14-19)28-24(18-10-11-18)22(15-26-28)25(31)32/h4,6-9,12-15,18H,2-3,5,10-11,16H2,1H3,(H,29,30)(H,31,32)","","2020-06-17","2021-04-09","1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid","2021-04-14"],["QH9","5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide","C27 H21 N5 O2","COc1cc2ccncc2cc1c3c[nH]c4ncc(cc34)c5cncc(c5)C(=O)N(C)CC#C;CN(CC#C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4cc5cnccc5cc4OC","InChI=1S/C27H21N5O2/c1-4-7-32(2)27(33)21-8-18(13-29-14-21)20-10-23-24(16-31-26(23)30-15-20)22-9-19-12-28-6-5-17(19)11-25(22)34-3/h1,5-6,8-16H,7H2,2-3H3,(H,30,31)","","2022-10-31","2024-09-27","5-[3-(6-methoxyisoquinolin-7-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N}-methyl-~{N}-prop-2-ynyl-pyridine-3-carboxamide","2023-03-22"],["QHA","(3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H41 F N4 O9 S","O=S(=O)(c2cc1oc(nc1cc2)NC)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCC(F)=C)COC4OC3)Cc5ccccc5;CNc1oc2cc(ccc2n1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OC[CH](OCC(F)=C)[CH]45;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC","InChI=1S/C32H41FN4O9S/c1-19(2)14-37(47(40,41)22-10-11-23-26(13-22)45-31(34-4)35-23)15-25(38)24(12-21-8-6-5-7-9-21)36-32(39)46-28-18-44-30-29(28)27(17-43-30)42-16-20(3)33/h5-11,13,19,24-25,27-30,38H,3,12,14-18H2,1-2,4H3,(H,34,35)(H,36,39)/t24-,25+,27-,28-,29-,30+/m0/s1","","2015-02-04","2015-05-01","(3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2015-05-06"],["QHB","7-methoxy-1~{H}-benzotriazole","C7 H7 N3 O","COc1cccc2nn[nH]c12;COc1cccc2c1[nH]nn2","InChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10)","","2020-06-17","2021-04-09","7-methoxy-1~{H}-benzotriazole","2021-04-14"],["QHC","N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide","C18 H18 Cl F N2 O","c1(cc(ccc1Cl)c2cncc3c2CCCC3NC(CC)=O)F;CCC(=O)N[CH]1CCCc2c1cncc2c3ccc(Cl)c(F)c3;CCC(=O)NC1CCCc2c1cncc2c3ccc(c(c3)F)Cl","InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)/t17-/m1/s1","","2015-04-24","2015-10-02","N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide","2015-10-07"],["QHD","(2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid","C27 H45 N7 O26 P4 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS[C](O)(C[C](O)(CC(O)=O)C(O)=O)O[P](O)(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CC(CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O","InChI=1S/C27H45N7O26P4S/c1-25(2,19(39)22(40)30-4-3-14(35)29-5-6-65-27(44,59-62(48,49)50)9-26(43,24(41)42)7-15(36)37)10-56-64(53,54)60-63(51,52)55-8-13-18(58-61(45,46)47)17(38)23(57-13)34-12-33-16-20(28)31-11-32-21(16)34/h11-13,17-19,23,38-39,43-44H,3-10H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,51,52)(H,53,54)(H2,28,31,32)(H2,45,46,47)(H2,48,49,50)/t13-,17+,18+,19+,23+,26-,27-/m1/s1","","2019-11-04","2023-09-18","(2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid","2019-12-25"],["QHE","3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole","C12 H11 N3 S","CCc1nnc2scc(n12)c3ccccc3;CCc1nnc2n1c(cs2)c3ccccc3","InChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3","","2020-06-17","2020-07-24","3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole","2020-07-29"],["QHF","N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide","C23 H34 F N5 O5 S","Fc1cnc(nc1)C(C)CC(N(O)C=O)(C)CS(=O)(=O)N3CCC(CCc2c(onc2C)C)CC3;C[CH](C[C](C)(C[S](=O)(=O)N1CC[CH](CC1)CCc2c(C)onc2C)N(O)C=O)c3ncc(F)cn3;Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)CC(C)(CC(C)c3ncc(cn3)F)N(C=O)O","InChI=1S/C23H34FN5O5S/c1-16(22-25-12-20(24)13-26-22)11-23(4,29(31)15-30)14-35(32,33)28-9-7-19(8-10-28)5-6-21-17(2)27-34-18(21)3/h12-13,15-16,19,31H,5-11,14H2,1-4H3/t16-,23-/m0/s1","","2011-01-07","2011-06-04","N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide",""],["QHG","(E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID","C22 H25 N O3","CC(C)CN1CCc2cc(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3;CC(C)CN1CCc2cc(ccc2C1c3ccc(cc3)C=CC(=O)O)O","InChI=1S/C22H25NO3/c1-15(2)14-23-12-11-18-13-19(24)8-9-20(18)22(23)17-6-3-16(4-7-17)5-10-21(25)26/h3-10,13,15,22,24H,11-12,14H2,1-2H3,(H,25,26)/b10-5+/t22-/m1/s1","","2015-12-14","2016-02-05","(E)-3-[4-[(1R)-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid","2016-02-10"],["QHH","1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid","C28 H37 N3 O3","CCCC[CH]1CCCN1C(=O)[CH]2CCC[CH](C2)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5;CCCCC1CCCN1C(=O)C2CCCC(C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5","InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23+/m1/s1","","2020-06-17","2021-04-09","1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid","2021-04-14"],["QHI","(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H14 Cl2 N2 O2","Clc1cc(Cl)c2OCCC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1cc(Cl)c2OCC[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4Cl)Cl","InChI=1S/C19H14Cl2N2O2/c20-12-7-15-14(5-6-25-18(15)16(21)8-12)19(24)23-17-10-22-9-11-3-1-2-4-13(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1","","2023-08-18","2023-11-03","(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QHJ","(R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid","C42 H46 Cl N3 O6 S","N(C(c4cc3c(CN(Cc2c(c1ccc(cc1)Cl)cccc2)CC3)cc4)=O)(Cc5ccc(cc5)C)C(=O)NC(CS(=O)(=O)CC6CCCCC6)C(O)=O;Cc1ccc(CN(C(=O)N[CH](C[S](=O)(=O)CC2CCCCC2)C(O)=O)C(=O)c3ccc4CN(CCc4c3)Cc5ccccc5c6ccc(Cl)cc6)cc1;Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)NC(CS(=O)(=O)CC6CCCCC6)C(=O)O","InChI=1S/C42H46ClN3O6S/c1-29-11-13-30(14-12-29)24-46(42(50)44-39(41(48)49)28-53(51,52)27-31-7-3-2-4-8-31)40(47)34-15-16-35-25-45(22-21-33(35)23-34)26-36-9-5-6-10-38(36)32-17-19-37(43)20-18-32/h5-6,9-20,23,31,39H,2-4,7-8,21-22,24-28H2,1H3,(H,44,50)(H,48,49)/t39-/m0/s1","","2019-11-04","2021-04-30","N-({2-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6-carbonyl}[(4-methylphenyl)methyl]carbamoyl)-3-[(cyclohexylmethyl)sulfonyl]-L-alanine","2021-05-05"],["QHK","5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid","C21 H19 N3 O6 S","OC(=O)CN(c1cccc(c1)n2ncc(C(O)=O)c2C3CC3)[S](=O)(=O)c4ccccc4;c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4","InChI=1S/C21H19N3O6S/c25-19(26)13-23(31(29,30)17-7-2-1-3-8-17)15-5-4-6-16(11-15)24-20(14-9-10-14)18(12-22-24)21(27)28/h1-8,11-12,14H,9-10,13H2,(H,25,26)(H,27,28)","","2020-06-17","2021-04-09","5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid","2021-04-14"],["QHL","delta-[Ru(tap2-dppz-CN)]2+","C39 H21 N13 Ru","N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1;c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N","InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;/q;;;+6","Cyano-derivative of Ruthenium-dipyridophenazine","2016-11-24","2024-01-03","","2018-01-17"],["QHM","hycanthone","C20 H24 N2 O2 S","N(CCN(CC)CC)c2c3C(c1ccccc1Sc3c(cc2)CO)=O;CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12;CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO","InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3","1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one","2019-11-04","2020-06-17","1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one","2020-02-19"],["QHN","5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid","C13 H12 N2 O2","OC(=O)c1cnn(c2ccccc2)c1C3CC3;c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3","InChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)","","2020-06-17","2021-04-09","5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid","2021-04-14"],["QHO","2,3,5-trifluoro-N-hydroxybenzamide","C7 H4 F3 N O2","Fc1c(cc(F)cc1F)C(=O)NO;ONC(=O)c1cc(F)cc(F)c1F;c1c(cc(c(c1C(=O)NO)F)F)F","InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12)","","2022-06-10","2022-09-23","2,3,5-trifluoro-N-hydroxybenzamide","2022-09-28"],["QHP","(R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid","C36 H40 N2 O6 S","c6ccc(c5ccc(C(N(C(=O)NC(CS(CC23CC1CC(CC(C1)C2)C3)(=O)=O)C(O)=O)Cc4ccc(C)cc4)=O)cc5)cc6;Cc1ccc(CN(C(=O)N[CH](C[S](=O)(=O)CC23CC4CC(CC(C4)C2)C3)C(O)=O)C(=O)c5ccc(cc5)c6ccccc6)cc1;Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)NC(CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O","InChI=1S/C36H40N2O6S/c1-24-7-9-25(10-8-24)21-38(33(39)31-13-11-30(12-14-31)29-5-3-2-4-6-29)35(42)37-32(34(40)41)22-45(43,44)23-36-18-26-15-27(19-36)17-28(16-26)20-36/h2-14,26-28,32H,15-23H2,1H3,(H,37,42)(H,40,41)/t26-,27+,28-,32-,36-/m0/s1","","2019-11-04","2021-04-30","N-{([1,1'-biphenyl]-4-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-3-({[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}sulfonyl)-L-alanine","2021-05-05"],["QHQ","5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid","C22 H21 N3 O7 S","COc1cccc(c1)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4;COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4","InChI=1S/C22H21N3O7S/c1-32-17-6-3-7-18(11-17)33(30,31)24(13-20(26)27)15-4-2-5-16(10-15)25-21(14-8-9-14)19(12-23-25)22(28)29/h2-7,10-12,14H,8-9,13H2,1H3,(H,26,27)(H,28,29)","","2020-06-17","2021-04-09","5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid","2021-04-14"],["QHR","7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid","C37 H32 N4 O4","Cn1nc(COc2ccc3ccncc3c2)c(c1C)c4cccc5c(CCCOc6cccc7ccccc67)c([nH]c45)C(O)=O;Cc1c(c(nn1C)COc2ccc3ccncc3c2)c4cccc5c4[nH]c(c5CCCOc6cccc7c6cccc7)C(=O)O","InChI=1S/C37H32N4O4/c1-23-34(32(40-41(23)2)22-45-27-16-15-24-17-18-38-21-26(24)20-27)31-12-6-11-29-30(36(37(42)43)39-35(29)31)13-7-19-44-33-14-5-9-25-8-3-4-10-28(25)33/h3-6,8-12,14-18,20-21,39H,7,13,19,22H2,1-2H3,(H,42,43)","","2022-11-01","2024-09-27","7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid","2023-02-22"],["QHS","(R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid","C32 H36 N2 O6 S","N(C(CS(CC1CCCCC1)(=O)=O)C(O)=O)C(=O)N(C(c2ccc(cc2)c3ccccc3)=O)Cc4ccc(cc4)C;Cc1ccc(CN(C(=O)N[CH](C[S](=O)(=O)CC2CCCCC2)C(O)=O)C(=O)c3ccc(cc3)c4ccccc4)cc1;Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)NC(CS(=O)(=O)CC4CCCCC4)C(=O)O","InChI=1S/C32H36N2O6S/c1-23-12-14-24(15-13-23)20-34(30(35)28-18-16-27(17-19-28)26-10-6-3-7-11-26)32(38)33-29(31(36)37)22-41(39,40)21-25-8-4-2-5-9-25/h3,6-7,10-19,25,29H,2,4-5,8-9,20-22H2,1H3,(H,33,38)(H,36,37)/t29-/m0/s1","","2019-11-04","2021-04-30","N-{([1,1'-biphenyl]-4-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-3-[(cyclohexylmethyl)sulfonyl]-L-alanine","2021-05-05"],["QHT","5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid","C23 H25 N3 O4 S","Cc1cc(C)c(C)c(c1C)[S](=O)(=O)Nc2cccc(c2)n3ncc(C(O)=O)c3C4CC4;Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C","InChI=1S/C23H25N3O4S/c1-13-10-14(2)16(4)22(15(13)3)31(29,30)25-18-6-5-7-19(11-18)26-21(17-8-9-17)20(12-24-26)23(27)28/h5-7,10-12,17,25H,8-9H2,1-4H3,(H,27,28)","","2020-06-17","2021-04-09","5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid","2021-04-14"],["QHU","(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H14 Cl2 N2 O2","Clc1cc2c(cc1Cl)OCCC2C(=O)Nc1cncc2ccccc21;Clc1cc2OCC[CH](C(=O)Nc3cncc4ccccc34)c2cc1Cl;c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)Cl)Cl","InChI=1S/C19H14Cl2N2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1","","2023-08-18","2023-11-03","(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QHV","(R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid","C44 H37 Cl N2 O4 S","N(C(C(O)=O)CSCc1ccccc1)C(N(C(c5ccc(c4cc(c3ccccc3c2ccc(Cl)cc2)ccc4)cc5)=O)Cc6ccc(cc6)C)=O;Cc1ccc(CN(C(=O)N[CH](CSCc2ccccc2)C(O)=O)C(=O)c3ccc(cc3)c4cccc(c4)c5ccccc5c6ccc(Cl)cc6)cc1;Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)NC(CSCc6ccccc6)C(=O)O","InChI=1S/C44H37ClN2O4S/c1-30-14-16-31(17-15-30)27-47(44(51)46-41(43(49)50)29-52-28-32-8-3-2-4-9-32)42(48)35-20-18-33(19-21-35)36-10-7-11-37(26-36)40-13-6-5-12-39(40)34-22-24-38(45)25-23-34/h2-26,41H,27-29H2,1H3,(H,46,51)(H,49,50)/t41-/m0/s1","","2019-11-04","2021-04-30","S-benzyl-N-{(1~4~-chloro[1~1~,2~1~:2~2~,3~1~:3~3~,4~1~-quaterphenyl]-4~4~-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-L-cysteine","2021-05-05"],["QHW","5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid","C25 H27 N3 O6 S","Cc1cc(C)c(C)c(c1C)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4;Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C","InChI=1S/C25H27N3O6S/c1-14-10-15(2)17(4)24(16(14)3)35(33,34)27(13-22(29)30)19-6-5-7-20(11-19)28-23(18-8-9-18)21(12-26-28)25(31)32/h5-7,10-12,18H,8-9,13H2,1-4H3,(H,29,30)(H,31,32)","","2020-06-17","2021-04-09","5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid","2021-04-14"],["QHX","3,5-difluoro-N-hydroxybenzamide","C7 H5 F2 N O2","Fc1cc(cc(F)c1)C(=O)NO;ONC(=O)c1cc(F)cc(F)c1;c1c(cc(cc1F)F)C(=O)NO","InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)","","2022-06-10","2022-09-23","3,5-difluoro-N-hydroxybenzamide","2022-09-28"],["QHY","1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid","C21 H28 N6 O3","c1cc(c(cc1)N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(O)=O)OCC;CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(O)=O;CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O","InChI=1S/C21H28N6O3/c1-2-30-18-6-4-3-5-17(18)25-11-13-27(14-12-25)21-23-15-22-20(24-21)26-9-7-16(8-10-26)19(28)29/h3-6,15-16H,2,7-14H2,1H3,(H,28,29)","","2019-11-04","2020-05-01","1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid","2020-05-06"],["QHZ","1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid","C28 H25 N3 O7 S","COc1cccc(c1)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3[CH]4C[CH]4c5ccccc5;COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4c5ccccc5","InChI=1S/C28H25N3O7S/c1-38-21-11-6-12-22(14-21)39(36,37)30(17-26(32)33)19-9-5-10-20(13-19)31-27(25(16-29-31)28(34)35)24-15-23(24)18-7-3-2-4-8-18/h2-14,16,23-24H,15,17H2,1H3,(H,32,33)(H,34,35)/t23-,24+/m1/s1","","2020-06-17","2021-04-09","1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid","2021-04-14"],["QI0","Basmisanil","C21 H20 F N3 O5 S","Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(F)cc4;Cc1c(c(no1)c2ccc(cc2)F)COc3ccc(cn3)C(=O)N4CCS(=O)(=O)CC4","InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3","[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone","2022-10-29","2023-10-27","[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone","2023-11-01"],["QI1","4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide","C18 H20 Cl2 N2 O2","Clc1ccc(cc1)CN(Cc2ccc(Cl)cc2)CCCC(=O)NO;ONC(=O)CCCN(Cc1ccc(Cl)cc1)Cc2ccc(Cl)cc2;c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl","InChI=1S/C18H20Cl2N2O2/c19-16-7-3-14(4-8-16)12-22(11-1-2-18(23)21-24)13-15-5-9-17(20)10-6-15/h3-10,24H,1-2,11-13H2,(H,21,23)","","2011-02-03","2011-06-04","4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide",""],["QI2","(2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide","C24 H32 F2 N2 O3","Fc1ccc(cc1C)CCCN(CCC(C(=O)NO)CC(OC)c2ccc(F)cc2)C;CO[CH](C[CH](CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c2ccc(F)cc2;Cc1cc(ccc1F)CCCN(C)CCC(CC(c2ccc(cc2)F)OC)C(=O)NO","InChI=1S/C24H32F2N2O3/c1-17-15-18(6-11-22(17)26)5-4-13-28(2)14-12-20(24(29)27-30)16-23(31-3)19-7-9-21(25)10-8-19/h6-11,15,20,23,30H,4-5,12-14,16H2,1-3H3,(H,27,29)/t20-,23+/m0/s1","","2011-02-03","2011-06-04","(2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide",""],["QI3","(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide","C17 H16 Cl2 N2 O5 S","O=S(=O)(c1ccc(Cl)cc1)N3C(C(=O)NO)CC(Oc2ccc(Cl)cc2)C3;ONC(=O)[CH]1C[CH](CN1[S](=O)(=O)c2ccc(Cl)cc2)Oc3ccc(Cl)cc3;c1cc(ccc1OC2CC(N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl","InChI=1S/C17H16Cl2N2O5S/c18-11-1-5-13(6-2-11)26-14-9-16(17(22)20-23)21(10-14)27(24,25)15-7-3-12(19)4-8-15/h1-8,14,16,23H,9-10H2,(H,20,22)/t14-,16+/m1/s1","","2011-02-03","2011-06-04","(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide",""],["QI4","(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide","C18 H14 Cl2 N2 O","Clc1ccc(cc1Cl)C(C)C(=O)Nc1cncc2ccccc21;C[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;CC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3","InChI=1S/C18H14Cl2N2O/c1-11(12-6-7-15(19)16(20)8-12)18(23)22-17-10-21-9-13-4-2-3-5-14(13)17/h2-11H,1H3,(H,22,23)/t11-/m0/s1","","2023-08-18","2023-11-03","(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide","2023-11-08"],["QI5","2,3,4,5,6-pentafluoro-N-hydroxybenzamide","C7 H2 F5 N O2","Fc1c(c(F)c(F)c(F)c1F)C(=O)NO;ONC(=O)c1c(F)c(F)c(F)c(F)c1F;c1(c(c(c(c(c1F)F)F)F)F)C(=O)NO","InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14)","","2022-06-10","2022-09-23","2,3,4,5,6-pentafluoro-N-hydroxybenzamide","2022-09-28"],["QI6","pyrazolo[5,1-a]phthalazin-6-amine","C10 H8 N4","Nc1nn2nccc2c3ccccc13;c1ccc2c(c1)c3ccnn3nc2N","InChI=1S/C10H8N4/c11-10-8-4-2-1-3-7(8)9-5-6-12-14(9)13-10/h1-6H,(H2,11,13)","","2022-10-31","2023-05-15","pyrazolo[5,1-a]phthalazin-6-amine","2022-11-23"],["QI7","(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C23 H20 Cl N5 O","Clc1ccc2c(c1)C(CCN2Cc1ncc[NH]1)C(=O)Nc1cncc2ccccc21;Clc1ccc2N(CC[CH](C(=O)Nc3cncc4ccccc34)c2c1)Cc5[nH]ccn5;c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]ccn5","InChI=1S/C23H20ClN5O/c24-16-5-6-21-19(11-16)18(7-10-29(21)14-22-26-8-9-27-22)23(30)28-20-13-25-12-15-3-1-2-4-17(15)20/h1-6,8-9,11-13,18H,7,10,14H2,(H,26,27)(H,28,30)/t18-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["QI8","2,3,5,6-tetrafluoro-N-hydroxybenzamide","C7 H3 F4 N O2","Fc1c(C(=O)NO)c(F)c(F)cc1F;ONC(=O)c1c(F)c(F)cc(F)c1F;c1c(c(c(c(c1F)F)C(=O)NO)F)F","InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)","","2022-06-10","2022-09-23","2,3,5,6-tetrafluoro-N-hydroxybenzamide","2022-09-28"],["QI9","Quinine","C20 H24 N2 O2","O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C;COc1ccc2nccc([CH](O)[CH]3C[CH]4CC[N]3C[CH]4C=C)c2c1;COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O","InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1","(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol","2014-10-15","2020-06-17","(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol","2015-01-14"],["QIA","5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid","C19 H14 N4 O2","OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24;c1ccc(cc1)CNc2c3c(cncn3)c4ccc(cc4n2)C(=O)O","InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25)","","2022-10-31","2022-11-18","5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid","2022-11-23"],["QIB","(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H15 Cl N2 O3","Clc1ccc2OCCC(O)(c2c1)C(=O)Nc1cncc2ccccc21;O[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)O","InChI=1S/C19H15ClN2O3/c20-13-5-6-17-15(9-13)19(24,7-8-25-17)18(23)22-16-11-21-10-12-3-1-2-4-14(12)16/h1-6,9-11,24H,7-8H2,(H,22,23)/t19-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QIC","(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid","C7 H12 O6","O=C(O)C1(O)CC(O)C(O)C(O)C1;O[CH]1C[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(CC1(C(=O)O)O)O)O)O","InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1","Quinic acid","2009-10-02","2020-06-17","(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid",""],["QID","3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione","C14 H10 N2 O5 S","O=S(=O)(c2ccc1c(C(=O)N(O)C(=O)N1)c2)c3ccccc3;ON1C(=O)Nc2ccc(cc2C1=O)[S](=O)(=O)c3ccccc3;c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O","InChI=1S/C14H10N2O5S/c17-13-11-8-10(6-7-12(11)15-14(18)16(13)19)22(20,21)9-4-2-1-3-5-9/h1-8,19H,(H,15,18)","","2011-02-08","2011-06-04","3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione",""],["QIE","N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide","C19 H17 Br N4 O2","O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(C#N)c1;Brc1cccc(NC(=O)[CH]2CCCN2C(=O)Cc3cccc(c3)C#N)n1;c1cc(cc(c1)C#N)CC(=O)N2CCCC2C(=O)Nc3cccc(n3)Br","InChI=1S/C19H17BrN4O2/c20-16-7-2-8-17(22-16)23-19(26)15-6-3-9-24(15)18(25)11-13-4-1-5-14(10-13)12-21/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,22,23,26)/t15-/m0/s1","","2022-06-10","2022-10-28","N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide","2022-11-02"],["QIF","1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose","C7 H15 O9 P","C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C;C[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;CC1(C(C(C(C(O1)COP(=O)(O)O)O)O)O)O","InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1","1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-7-O-phosphono-D-gluco-hept-2-ulose;\n1-deoxy-7-O-phosphono-gluco-hept-2-ulose","2018-11-09","2020-07-17","1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose","2019-05-01"],["QIG","N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine","C21 H16 N6","n1c(cccc1c3nc2c(cccc2)c(n3)Nc4cc5c(cc4)nnc5)C;Cc1cccc(n1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2;Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5","InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)","","2009-04-06","2011-06-04","N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine",""],["QIH","1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone","C27 H32 N6 O","CCN1CCN(CC1)c2ccc(Nc3cc(Nc4cccc5CCN(C(C)=O)c45)ccn3)cc2;CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ccn3)Nc4cccc5c4N(CC5)C(=O)C","InChI=1S/C27H32N6O/c1-3-31-15-17-32(18-16-31)24-9-7-22(8-10-24)30-26-19-23(11-13-28-26)29-25-6-4-5-21-12-14-33(20(2)34)27(21)25/h4-11,13,19H,3,12,14-18H2,1-2H3,(H2,28,29,30)","","2022-10-31","2023-01-13","1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone","2023-01-18"],["QII","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid","C20 H32 N8 O5","N[CH](CCN(CC[CH]1CCCN1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC4CCCN4)CCC(C(=O)O)N)O)O)N","InChI=1S/C20H32N8O5/c21-12(20(31)32)4-7-27(6-3-11-2-1-5-23-11)8-13-15(29)16(30)19(33-13)28-10-26-14-17(22)24-9-25-18(14)28/h9-13,15-16,19,23,29-30H,1-8,21H2,(H,31,32)(H2,22,24,25)/t11-,12+,13-,15-,16-,19-/m1/s1","","2023-08-29","2024-09-06","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid","2024-09-11"],["QIJ","4-amino-8-methylpteridine-2,7(1H,8H)-dione","C7 H7 N5 O2","O=C1NC2=C(N=CC(=O)N2C)C(N)=N1;CN1C(=O)C=NC2=C1NC(=O)N=C2N;CN1C(=O)C=NC2=C1NC(=O)N=C2N","InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14)","","2022-06-12","2022-11-25","4-amino-8-methylpteridine-2,7(1H,8H)-dione","2022-11-30"],["QIK","(2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H57 Cl N10 O6 S2","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CC(=O)NCCCCNC(=O)C[CH]2N=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)c6ccc(cc6)c7scnc7C)c8onc(C)c8;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(CC(=O)NCCCCNC(=O)CC3c4nnc(n4-c5c(c(c(s5)C)C)C(=N3)c6ccc(cc6)Cl)C)c7ccc(cc7)c8c(ncs8)C)O","InChI=1S/C50H57ClN10O6S2/c1-26(2)43(40-20-27(3)59-67-40)49(66)60-24-36(62)21-39(60)48(65)56-37(32-10-12-34(13-11-32)46-29(5)54-25-68-46)22-41(63)52-18-8-9-19-53-42(64)23-38-47-58-57-31(7)61(47)50-44(28(4)30(6)69-50)45(55-38)33-14-16-35(51)17-15-33/h10-17,20,25-26,36-39,43,62H,8-9,18-19,21-24H2,1-7H3,(H,52,63)(H,53,64)(H,56,65)/t36-,37+,38+,39+,43-/m1/s1","","2022-11-01","2023-02-10","(2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QIL","N-formyl-L-isoleucine","C7 H13 N O3","O=CNC(C(=O)O)C(CC)C;CC[CH](C)[CH](NC=O)C(O)=O;CCC(C)C(C(=O)O)NC=O","InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1","","2011-05-25","2024-09-27","N-formyl-L-isoleucine",""],["QIM","(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H17 Cl N2 O4 S","CS(=O)(=O)c1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21;C[S](=O)(=O)c1ccc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c2c1;CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C20H17ClN2O4S/c1-28(25,26)14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-27-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QIN","N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE","C24 H37 N5 O3 S2","O=S(=O)(N(c3nc(NCC1CC1C)cc(C(=O)NC(Cc2ccsc2)C(N)CCCC)c3)C)C;CCCC[CH](N)[CH](Cc1cscc1)NC(=O)c2cc(NC[CH]3C[CH]3C)nc(c2)N(C)[S](C)(=O)=O;CCCCC(C(Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NCC3CC3C)N","InChI=1S/C24H37N5O3S2/c1-5-6-7-20(25)21(11-17-8-9-33-15-17)27-24(30)18-12-22(26-14-19-10-16(19)2)28-23(13-18)29(3)34(4,31)32/h8-9,12-13,15-16,19-21H,5-7,10-11,14,25H2,1-4H3,(H,26,28)(H,27,30)/t16-,19+,20-,21-/m0/s1","","2006-12-19","2011-06-04","N-[(1S,2S)-2-amino-1-(thiophen-3-ylmethyl)hexyl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide",""],["QIO","(2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid","C17 H17 F N4 O3","O=C(O)C(O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12;O[CH]([CH]1CCCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23)C(O)=O;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)C(C(=O)O)O","InChI=1S/C17H17FN4O3/c18-10-3-4-11-12(6-10)21-15-13(11)16(20-8-19-15)22-5-1-2-9(7-22)14(23)17(24)25/h3-4,6,8-9,14,23H,1-2,5,7H2,(H,24,25)(H,19,20,21)/t9-,14-/m1/s1","","2022-06-14","2022-07-01","(2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid","2022-07-06"],["QIP","2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide","C9 H14 N4 O4 S","CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O;CSCCC(=N)C1(NC(=O)CN1C(=O)C(=O)N)O","InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1","CHROMOPHORE (MET-TYR-GLY)","2022-11-01","2024-09-27","2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide","2023-04-05"],["QIQ","2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide","C16 H12 Cl N3 O","Clc1cc(CC(=O)Nc2cncc3ccccc32)cnc1;Clc1cncc(CC(=O)Nc2cncc3ccccc23)c1;c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)Cl","InChI=1S/C16H12ClN3O/c17-13-5-11(7-18-9-13)6-16(21)20-15-10-19-8-12-3-1-2-4-14(12)15/h1-5,7-10H,6H2,(H,20,21)","","2023-08-18","2023-11-03","2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QIR","(2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid","C17 H17 F N4 O3","O=C(O)C(O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12;O[CH]([CH]1CCCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23)C(O)=O;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)C(C(=O)O)O","InChI=1S/C17H17FN4O3/c18-10-3-4-11-12(6-10)21-15-13(11)16(20-8-19-15)22-5-1-2-9(7-22)14(23)17(24)25/h3-4,6,8-9,14,23H,1-2,5,7H2,(H,24,25)(H,19,20,21)/t9-,14+/m1/s1","","2022-06-14","2022-07-01","(2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid","2022-07-06"],["QIT","(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide","C18 H15 Cl2 N3 O","Clc1ccc(cc1Cl)C(NC)C(=O)Nc1cncc2ccccc21;CN[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;CNC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3","InChI=1S/C18H15Cl2N3O/c1-21-17(11-6-7-14(19)15(20)8-11)18(24)23-16-10-22-9-12-4-2-3-5-13(12)16/h2-10,17,21H,1H3,(H,23,24)/t17-/m0/s1","","2023-08-18","2023-11-03","(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide","2023-11-08"],["QIU","3-[3-(2-acetamidoethyl)phenyl]benzoic acid","C17 H17 N O3","CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O;CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C17H17NO3/c1-12(19)18-9-8-13-4-2-5-14(10-13)15-6-3-7-16(11-15)17(20)21/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,21)","","2017-07-27","2018-01-05","3-[3-(2-acetamidoethyl)phenyl]benzoic acid","2018-01-10"],["QIV","N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide","C9 H8 N2 O2 S","CC(=O)Nc1sc2ccc(O)cc2n1;CC(=O)Nc1nc2cc(ccc2s1)O","InChI=1S/C9H8N2O2S/c1-5(12)10-9-11-7-4-6(13)2-3-8(7)14-9/h2-4,13H,1H3,(H,10,11,12)","","2015-06-05","2016-06-24","N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide","2016-06-29"],["QIW","(5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid","C15 H16 N4 O2","OC(=O)c1c(c2cc3c(CC)c[NH]c3nc2)n(C)nc1C;CCc1c[nH]c2ncc(cc12)c3n(C)nc(C)c3C(O)=O;CCc1c[nH]c2c1cc(cn2)c3c(c(nn3C)C)C(=O)O","InChI=1S/C15H16N4O2/c1-4-9-6-16-14-11(9)5-10(7-17-14)13-12(15(20)21)8(2)18-19(13)3/h5-7H,4H2,1-3H3,(H,16,17)(H,20,21)","","2022-06-14","2022-07-01","(5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid","2022-07-06"],["QIX","N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAPHTHYLMETHYL)-4-OXOBUTANOYL]-L-ARGINYLGLYCYLGLYCINAMIDE","C25 H34 N8 O6","O=C(N)CNC(=O)CNC(=O)C(NC(=O)C(CC(=O)NO)Cc2ccc1c(cccc1)c2)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NC(=O)[CH](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)NCC(=O)NCC(N)=O;[H]N=C(N)NCCCC(C(=O)NCC(=O)NCC(=O)N)NC(=O)C(Cc1ccc2ccccc2c1)CC(=O)NO","InChI=1S/C25H34N8O6/c26-20(34)13-30-22(36)14-31-24(38)19(6-3-9-29-25(27)28)32-23(37)18(12-21(35)33-39)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,7-8,10,18-19,39H,3,6,9,11-14H2,(H2,26,34)(H,30,36)(H,31,38)(H,32,37)(H,33,35)(H4,27,28,29)/t18-,19+/m1/s1","","2007-07-12","2011-06-04","N~2~-[(2R)-4-(hydroxyamino)-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]-L-arginylglycylglycinamide",""],["QIY","(2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H63 Cl2 N9 O9 S","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CC(=O)NCCOCCOCCOCCNC(=O)C[CH]2[NH2]=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)c6ccc(Cl)cc6)c7onc(C)c7;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(CC(=O)NCCOCCOCCOCCNC(=O)CC3c4nnc(n4-c5c(c(c(s5)C)C)C(=[NH2]3)c6ccc(cc6)Cl)C)c7ccc(cc7)Cl)O","InChI=1S/C50H63Cl2N9O9S/c1-28(2)44(41-23-29(3)59-70-41)49(66)60-27-37(62)24-40(60)48(65)56-38(33-7-11-35(51)12-8-33)25-42(63)53-15-17-67-19-21-69-22-20-68-18-16-54-43(64)26-39-47-58-57-32(6)61(47)50-45(30(4)31(5)71-50)46(55-39)34-9-13-36(52)14-10-34/h7-14,23,28,37-40,44,62H,15-22,24-27,55H2,1-6H3,(H,53,63)(H,54,64)(H,56,65)/t37-,38+,39+,40+,44-/m1/s1","","2022-11-02","2024-01-16","(2~{S},4~{R})-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QIZ","(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H14 Cl F N2 O2","Clc1cc2c(cc1F)OCCC2C(=O)Nc1cncc2ccccc21;Fc1cc2OCC[CH](C(=O)Nc3cncc4ccccc34)c2cc1Cl;c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)F)Cl","InChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QJ0","1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one","C10 H7 Br N6 O S","O=C(CSc1nnn[NH]1)c1c[NH]c2ncc(Br)cc21;Brc1cnc2[nH]cc(C(=O)CSc3[nH]nnn3)c2c1;c1c(cnc2c1c(c[nH]2)C(=O)CSc3[nH]nnn3)Br","InChI=1S/C10H7BrN6OS/c11-5-1-6-7(3-13-9(6)12-2-5)8(18)4-19-10-14-16-17-15-10/h1-3H,4H2,(H,12,13)(H,14,15,16,17)","","2022-06-14","2022-07-01","1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one","2022-07-06"],["QJ1","methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate","C11 H15 N O2 S2","c1(sccc1)C2CCN(C(OC)=O)CCS2;COC(=O)N1CCS[CH](CC1)c2sccc2;COC(=O)N1CCC(SCC1)c2cccs2","InChI=1S/C11H15NO2S2/c1-14-11(13)12-5-4-10(16-8-6-12)9-3-2-7-15-9/h2-3,7,10H,4-6,8H2,1H3/t10-/m0/s1","","2019-11-04","2019-12-27","methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate","2020-01-01"],["QJ2","6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine)","C17 H24 N4","n1c(N)cc(cc1CCCCCc2nc(N)cc(c2)C)C;Cc1cc(N)nc(CCCCCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C","InChI=1S/C17H24N4/c1-12-8-14(20-16(18)10-12)6-4-3-5-7-15-9-13(2)11-17(19)21-15/h8-11H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)","","2013-03-28","2013-08-02","6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine)","2013-08-07"],["QJ4","6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)","C19 H28 N4","n1c(N)cc(cc1CCCCCCCc2nc(N)cc(c2)C)C;Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C","InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23)","","2013-03-28","2013-08-02","6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)","2013-08-07"],["QJ5","5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid","C22 H23 N3 O4 S","CCCc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)n3ncc(C(O)=O)c3C4CC4;CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4","InChI=1S/C22H23N3O4S/c1-2-4-15-7-11-19(12-8-15)30(28,29)24-17-5-3-6-18(13-17)25-21(16-9-10-16)20(14-23-25)22(26)27/h3,5-8,11-14,16,24H,2,4,9-10H2,1H3,(H,26,27)","","2020-06-17","2021-04-09","5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid","2021-04-14"],["QJ6","(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide","C18 H14 Cl2 N2 O2","Clc1ccc(cc1Cl)C(OC)C(=O)Nc1cncc2ccccc21;CO[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;COC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3","InChI=1S/C18H14Cl2N2O2/c1-24-17(11-6-7-14(19)15(20)8-11)18(23)22-16-10-21-9-12-4-2-3-5-13(12)16/h2-10,17H,1H3,(H,22,23)/t17-/m1/s1","","2023-08-18","2023-11-03","(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide","2023-11-08"],["QJ7","6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine","C21 H23 F N4 O","Fc1cccc(c1)CCNCc3cc(OCc2nc(N)cc(c2)C)cnc3;Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1;Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F","InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)","","2013-03-28","2013-08-02","6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine","2013-08-07"],["QJ8","6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine","C19 H27 N5 O2","n1c(cc(cc1N)C)COC2CC(NC2)COCc3nc(N)cc(c3)C;Cc1cc(N)nc(COC[CH]2C[CH](CN2)OCc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)COCC2CC(CN2)OCc3cc(cc(n3)N)C","InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m0/s1","","2013-08-08","2013-10-18","6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine","2013-10-23"],["QJ9","1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one","C26 H25 N5 O2","O=C2N(c1ccccc1N2C6CCCN(c3nccc(n3)c5oc4ccccc4c5)C6)CC;CCN1C(=O)N([CH]2CCCN(C2)c3nccc(n3)c4oc5ccccc5c4)c6ccccc16;CCN1c2ccccc2N(C1=O)C3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5","InChI=1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1","","2011-02-01","2011-06-04","1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one",""],["QJA","1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one","C11 H13 N O S2","CC(N1C=CSC(CC1)c2sccc2)=O;CC(=O)N1CC[CH](SC=C1)c2sccc2;CC(=O)N1CCC(SC=C1)c2cccs2","InChI=1S/C11H13NOS2/c1-9(13)12-5-4-11(15-8-6-12)10-3-2-7-14-10/h2-3,6-8,11H,4-5H2,1H3/t11-/m0/s1","","2019-11-04","2019-12-27","1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one","2020-01-01"],["QJB","2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide","C17 H23 N O6 S","C[CH]1O[CH]2Oc3ccc(CC(=O)NCCCO)cc3S[CH]2[CH](O)[CH]1O;CC1C(C(C2C(O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O","InChI=1S/C17H23NO6S/c1-9-14(21)15(22)16-17(23-9)24-11-4-3-10(7-12(11)25-16)8-13(20)18-5-2-6-19/h3-4,7,9,14-17,19,21-22H,2,5-6,8H2,1H3,(H,18,20)/t9-,14+,15+,16-,17-/m0/s1","","2020-06-17","2020-10-23","2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide","2020-10-28"],["QJC","(3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid","C11 H12 F N3 O4","O=C1C=C(C=NN1)C(=O)N1CCC(CF)(C1)C(=O)O;OC(=O)[C]1(CF)CCN(C1)C(=O)C2=CC(=O)NN=C2;C1CN(CC1(CF)C(=O)O)C(=O)C2=CC(=O)NN=C2","InChI=1S/C11H12FN3O4/c12-5-11(10(18)19)1-2-15(6-11)9(17)7-3-8(16)14-13-4-7/h3-4H,1-2,5-6H2,(H,14,16)(H,18,19)/t11-/m0/s1","","2022-06-14","2022-07-01","(3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid","2022-07-06"],["QJD","[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid","C19 H21 N O2","O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1;OC(=O)Cc1ccc(N2CCCCC2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(ccc2N3CCCCC3)CC(=O)O","InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22)","","2023-05-08","2023-06-09","[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid","2023-06-14"],["QJE","3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol","C15 H33 N O7","NCCOCCOCCOCCOCCOCCOCCCO;C(CO)COCCOCCOCCOCCOCCOCCN","InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2","","2020-06-18","2024-09-27","3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol","2020-12-02"],["QJF","(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H17 Cl N2 O3","COc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21;COc1ccc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c2c1;COc1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QJG","(2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid","C15 H13 F N2 O4","OC(=O)C1CC(C)N1C(=O)c1cc(O)nc2ccc(F)cc21;C[CH]1C[CH](N1C(=O)c2cc(O)nc3ccc(F)cc23)C(O)=O;CC1CC(N1C(=O)c2cc(nc3c2cc(cc3)F)O)C(=O)O","InChI=1S/C15H13FN2O4/c1-7-4-12(15(21)22)18(7)14(20)10-6-13(19)17-11-3-2-8(16)5-9(10)11/h2-3,5-7,12H,4H2,1H3,(H,17,19)(H,21,22)/t7-,12-/m0/s1","","2022-06-14","2022-07-01","(2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid","2022-07-06"],["QJI","~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide","C19 H19 Cl N4 O","Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4;c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl","InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)","","2022-11-08","2022-11-11","~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide","2022-11-16"],["QJJ","N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide","C15 H17 F N4 O2 S","C(NC1CC1C32N=C(N)SCC2COC3)(=O)c4ccc(cn4)F;NC1=N[C]2(COC[CH]2CS1)[CH]3C[CH]3NC(=O)c4ccc(F)cn4;c1cc(ncc1F)C(=O)NC2CC2C34COCC3CSC(=N4)N","InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10-,12-,15-/m0/s1","","2019-11-05","2019-12-06","N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide","2019-12-11"],["QJK","5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid","C24 H15 Cl N2 O8","OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccc(Cl)cc4;c1cc(ccc1C2C(=C(C(=O)N2c3ccc(c(c3)C(=O)O)O)O)C(=O)c4ccc(cc4)Cl)N(=O)=O","InChI=1S/C24H15ClN2O8/c25-14-5-1-13(2-6-14)21(29)19-20(12-3-7-15(8-4-12)27(34)35)26(23(31)22(19)30)16-9-10-18(28)17(11-16)24(32)33/h1-11,20,28,30H,(H,32,33)/t20-/m1/s1","","2020-06-17","2022-12-23","5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid","2022-12-28"],["QJL","(4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C24 H25 Cl N4 O3","CN(C)CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;CN(C)CC(=O)NC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CN(C)CC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C24H25ClN4O3/c1-29(2)14-22(30)27-15-24(9-10-32-21-8-7-17(25)11-19(21)24)23(31)28-20-13-26-12-16-5-3-4-6-18(16)20/h3-8,11-13H,9-10,14-15H2,1-2H3,(H,27,30)(H,28,31)/t24-/m0/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QJM","N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide","C15 H17 F N4 O2 S","C1C(C1NC(=O)c2ccc(cn2)F)C34C(COC3)CSC(=N4)N;NC1=N[C]2(COC[CH]2CS1)[CH]3C[CH]3NC(=O)c4ccc(F)cn4;c1cc(ncc1F)C(=O)NC2CC2C34COCC3CSC(=N4)N","InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10+,12+,15-/m0/s1","","2019-11-05","2019-12-06","N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide","2019-12-11"],["QJN","(1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol","C20 H38 O10","CCCCCCCO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO;CCCCCCCOC1C(OC(C(C1O)O)OC2C(C(CC(C2O)O)O)CO)CO","InChI=1S/C20H38O10/c1-2-3-4-5-6-7-28-19-14(10-22)29-20(17(27)16(19)26)30-18-11(9-21)12(23)8-13(24)15(18)25/h11-27H,2-10H2,1H3/t11-,12+,13-,14+,15+,16+,17+,18+,19+,20+/m0/s1","","2020-06-18","2024-09-27","(1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol","2021-02-10"],["QJO","1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline","C9 H10 F2 N4 O4 S","FC1(F)CC(C(=O)O)N(C1)S(=O)(=O)c1cnc(N)nc1;Nc1ncc(cn1)[S](=O)(=O)N2CC(F)(F)C[CH]2C(O)=O;c1c(cnc(n1)N)S(=O)(=O)N2CC(CC2C(=O)O)(F)F","InChI=1S/C9H10F2N4O4S/c10-9(11)1-6(7(16)17)15(4-9)20(18,19)5-2-13-8(12)14-3-5/h2-3,6H,1,4H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1","","2022-06-14","2022-07-01","1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline","2022-07-06"],["QJP","(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide","C15 H23 N3 O2 S","O=C(C1CC1C32COCC3CSC(N)=N2)NCC4C(C)C4;C[CH]1C[CH]1CNC(=O)[CH]2C[CH]2[C]34COC[CH]3CSC(=N4)N;CC1CC1CNC(=O)C2CC2C34COCC3CSC(=N4)N","InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1","","2019-11-05","2019-12-06","(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide","2019-12-11"],["QJQ","2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid","C20 H20 F2 N2 O3 S2","O=C(O)C=1CCCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(C)cs1;Cc1csc(n1)c2c(NC(=O)C3=C(CCCC3)C(O)=O)sc4CC(F)(F)CCc24;Cc1csc(n1)c2c3c(sc2NC(=O)C4=C(CCCC4)C(=O)O)CC(CC3)(F)F","InChI=1S/C20H20F2N2O3S2/c1-10-9-28-17(23-10)15-13-6-7-20(21,22)8-14(13)29-18(15)24-16(25)11-4-2-3-5-12(11)19(26)27/h9H,2-8H2,1H3,(H,24,25)(H,26,27)","","2023-05-08","2023-06-09","2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid","2023-06-14"],["QJR","2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide","C16 H11 Cl2 N3 O","Clc1ccc(cc1Cl)CC(=O)Nc1cncc2cnccc21;Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl;c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl","InChI=1S/C16H11Cl2N3O/c17-13-2-1-10(5-14(13)18)6-16(22)21-15-9-20-8-11-7-19-4-3-12(11)15/h1-5,7-9H,6H2,(H,21,22)","","2023-08-18","2023-11-03","2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide","2023-11-08"],["QJS","5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid","C19 H15 F N2 O3","OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[CH]3C[CH]3c4ccccc4;c1ccc(cc1)C2CC2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F","InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)/t12-,13+/m1/s1","","2017-01-06","2017-02-10","5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid","2017-02-15"],["QJT","1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one","C21 H32 N2 O","CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1;CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O","InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3","","2020-06-18","2021-10-01","1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one","2021-10-06"],["QJU","7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole","C19 H19 F N6 O","Cc1nc(CC2CN(CCC2)c2ncnc3[NH]c4cc(F)ccc4c32)on1;Cc1noc(C[CH]2CCCN(C2)c3ncnc4[nH]c5cc(F)ccc5c34)n1;Cc1nc(on1)CC2CCCN(C2)c3c4c5ccc(cc5[nH]c4ncn3)F","InChI=1S/C19H19FN6O/c1-11-23-16(27-25-11)7-12-3-2-6-26(9-12)19-17-14-5-4-13(20)8-15(14)24-18(17)21-10-22-19/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22,24)/t12-/m1/s1","","2022-06-14","2022-07-01","7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole","2022-07-06"],["QJV","(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide","C14 H23 N3 O2 S","O=C(C3C(C12C(CSC(=N1)N)COC2)C3)NCCCC;CCCCNC(=O)[CH]1C[CH]1[C]23COC[CH]2CSC(=N3)N;CCCCNC(=O)C1CC1C23COCC2CSC(=N3)N","InChI=1S/C14H23N3O2S/c1-2-3-4-16-12(18)10-5-11(10)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1","","2019-11-05","2019-12-06","(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide","2019-12-11"],["QJW","(3S)-3-[(2-nitrophenyl)methoxy]-L-aspartic acid","C11 H12 N2 O7","O=[N+]([O-])c1ccccc1COC(C(=O)O)C(N)C(=O)O;N[CH]([CH](OCc1ccccc1[N+]([O-])=O)C(O)=O)C(O)=O;c1ccc(c(c1)COC(C(C(=O)O)N)C(=O)O)[N+](=O)[O-]","InChI=1S/C11H12N2O7/c12-8(10(14)15)9(11(16)17)20-5-6-3-1-2-4-7(6)13(18)19/h1-4,8-9H,5,12H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1","","2020-06-18","2026-04-05","(3S)-3-[(2-nitrophenyl)methoxy]-L-aspartic acid","2021-01-27"],["QJX","(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine","C20 H25 N7","CCN(CC)c1nc2CCCCCc2c(c1c1nnn[NH]1)c1ccncc1;CCN(CC)c1nc2CCCCCc2c(c3ccncc3)c1c4[nH]nnn4;CCN(CC)c1c(c(c2c(n1)CCCCC2)c3ccncc3)c4[nH]nnn4","InChI=1S/C20H25N7/c1-3-27(4-2)20-18(19-23-25-26-24-19)17(14-10-12-21-13-11-14)15-8-6-5-7-9-16(15)22-20/h10-13H,3-9H2,1-2H3,(H,23,24,25,26)","","2023-05-08","2023-06-09","(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine","2023-06-14"],["QJY","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","C32 H42 F2 N4 O7 S2","C5C(OC(=O)NC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(NC(C)C)n2)(=O)=O)O)Cc3cc(F)cc(c3)F)C4C(OCC4)OC5;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CCO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5nc(NC(C)C)sc5c4;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C","InChI=1S/C32H42F2N4O7S2/c1-18(2)16-38(47(41,42)23-5-6-25-29(15-23)46-31(36-25)35-19(3)4)17-27(39)26(13-20-11-21(33)14-22(34)12-20)37-32(40)45-28-8-10-44-30-24(28)7-9-43-30/h5-6,11-12,14-15,18-19,24,26-28,30,39H,7-10,13,16-17H2,1-4H3,(H,35,36)(H,37,40)/t24-,26-,27+,28-,30+/m0/s1","","2019-11-06","2020-11-13","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","2020-11-18"],["QJZ","N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide","C14 H12 N4 O S2","O=C(Nc1nc2ccc(cc2s1)c3nc(SC)ncc3)C;CSc1nccc(n1)c2ccc3nc(NC(C)=O)sc3c2;CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC","InChI=1S/C14H12N4OS2/c1-8(19)16-14-18-11-4-3-9(7-12(11)21-14)10-5-6-15-13(17-10)20-2/h3-7H,1-2H3,(H,16,18,19)","","2011-02-15","2011-06-04","N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide",""],["QK0","N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide","C20 H14 Cl F N4 O3 S2","Fc1ccc(cc1)S(=O)(=O)Nc4cc(c2ccc3nc(sc3c2)NC(=O)C)cnc4Cl;CC(=O)Nc1sc2cc(ccc2n1)c3cnc(Cl)c(N[S](=O)(=O)c4ccc(F)cc4)c3;CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F","InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)","","2011-02-15","2011-06-04","N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide",""],["QK1","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","C32 H43 F N4 O7 S2","CC(C)CN(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccc(cc3)F)S(c4cc5c(cc4)nc(s5)NC(C)C)(=O)=O;CC(C)CN(C[CH](O)[CH](Cc1ccc(F)cc1)NC(=O)O[CH]2CCO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5nc(NC(C)C)sc5c4;CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C","InChI=1S/C32H43FN4O7S2/c1-19(2)17-37(46(40,41)23-9-10-25-29(16-23)45-31(35-25)34-20(3)4)18-27(38)26(15-21-5-7-22(33)8-6-21)36-32(39)44-28-12-14-43-30-24(28)11-13-42-30/h5-10,16,19-20,24,26-28,30,38H,11-15,17-18H2,1-4H3,(H,34,35)(H,36,39)/t24-,26-,27+,28-,30+/m0/s1","","2019-11-06","2020-11-13","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","2020-11-18"],["QK2","7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one","C18 H24 F N3 O2","Cc1cc(F)c2NC(=O)N(C3CCN(CC3)C4CCOCC4)c2c1;Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4","InChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)","","2020-06-18","2021-10-01","7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one","2021-10-06"],["QK3","(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C25 H22 Cl N5 O3","Clc1ccc2OCCC(CNC(=O)Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2OCC[C](CNC(=O)Cn3ccnc3)(C(=O)Nc4cncc5ccccc45)c2c1;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5","InChI=1S/C25H22ClN5O3/c26-18-5-6-22-20(11-18)25(7-10-34-22,15-29-23(32)14-31-9-8-27-16-31)24(33)30-21-13-28-12-17-3-1-2-4-19(17)21/h1-6,8-9,11-13,16H,7,10,14-15H2,(H,29,32)(H,30,33)/t25-/m0/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QK5","(3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile","C27 H24 N6 S","N#CCn2c1ncccc1c(c2C)C6CCCN(c3nccc(n3)c5sc4ccccc4c5)C6;Cc1n(CC#N)c2ncccc2c1[CH]3CCCN(C3)c4nccc(n4)c5sc6ccccc6c5;Cc1c(c2cccnc2n1CC#N)C3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5","InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3/t20-/m0/s1","","2011-02-01","2011-06-04","(3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile",""],["QK6","[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","C16 H15 F N4 O3","O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)CC(=O)O","InChI=1S/C16H15FN4O3/c17-9-1-2-11-12(5-9)20-15-14(11)16(19-8-18-15)21-3-4-24-10(7-21)6-13(22)23/h1-2,5,8,10H,3-4,6-7H2,(H,22,23)(H,18,19,20)/t10-/m1/s1","","2022-06-14","2022-07-01","[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","2022-07-06"],["QK7","(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine","C21 H31 N5 O S","C1C(C1C)COC(C2CC2C54CN(c3ncccn3)CC5CSC(N)=N4)(C)C;C[CH]1C[CH]1COC(C)(C)[CH]2C[CH]2[C]34CN(C[CH]3CSC(=N4)N)c5ncccn5;CC1CC1COC(C)(C)C2CC2C34CN(CC3CSC(=N4)N)c5ncccn5","InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1","","2019-11-06","2019-12-06","(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine","2019-12-11"],["QK8","ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate","C20 H35 N3 O3","CCOC(=O)N1CCC[CH](CC1)N2CCC(CC2)C(=O)NC3(C)CCC3;CCOC(=O)N1CCCC(CC1)N2CCC(CC2)C(=O)NC3(CCC3)C","InChI=1S/C20H35N3O3/c1-3-26-19(25)23-12-4-6-17(9-15-23)22-13-7-16(8-14-22)18(24)21-20(2)10-5-11-20/h16-17H,3-15H2,1-2H3,(H,21,24)/t17-/m0/s1","","2020-06-18","2021-10-01","ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate","2021-10-06"],["QK9","5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene","C13 H8 Br F2 N5","FC(F)c1ncn2c1Cn3ncnc3c4cc(Br)ccc24;c1cc-2c(cc1Br)-c3ncnn3Cc4n2cnc4C(F)F","InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","","2022-11-08","2023-10-27","5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene","2023-11-01"],["QKA","(1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide","C19 H26 N6 O S","C5C(CNC(=O)C1CC1C34CN(c2ncccn2)CC3CSC(=N4)N)C5C;C[CH]1C[CH]1CNC(=O)[CH]2C[CH]2[C]34CN(C[CH]3CSC(=N4)N)c5ncccn5;CC1CC1CNC(=O)C2CC2C34CN(CC3CSC(=N4)N)c5ncccn5","InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1","","2019-11-06","2019-12-06","(1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide","2019-12-11"],["QKB","(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H14 Cl F N2 O2","Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21;Fc1ccc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c2c1;c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C19H14ClFN2O2/c20-12-2-4-18-16(7-12)14(5-6-25-18)19(24)23-17-10-22-9-11-1-3-13(21)8-15(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QKC","7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole","C16 H17 F N4 O2 S","CS(=O)(=O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12;C[S](=O)(=O)[CH]1CCCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23;CS(=O)(=O)C1CCCN(C1)c2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C16H17FN4O2S/c1-24(22,23)11-3-2-6-21(8-11)16-14-12-5-4-10(17)7-13(12)20-15(14)18-9-19-16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19,20)/t11-/m1/s1","","2022-06-14","2022-07-01","7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole","2022-07-06"],["QKD","ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate","C12 H17 N O2 S2","C2N(C(OCC)=O)CCC(c1sccc1)SC2;CCOC(=O)N1CCS[CH](CC1)c2sccc2;CCOC(=O)N1CCC(SCC1)c2cccs2","InChI=1S/C12H17NO2S2/c1-2-15-12(14)13-6-5-11(17-9-7-13)10-4-3-8-16-10/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m0/s1","","2019-11-06","2019-12-27","ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate","2020-01-01"],["QKE","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide","C19 H22 Cl N3 O3","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Cl)cc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(o3)Cl)N","InChI=1S/C19H22ClN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1","","2020-06-22","2021-06-25","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide","2021-06-30"],["QKF","[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone","C21 H22 N4 O5 S","Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(C)nc4;Cc1ccc(cn1)c2c(c(on2)C)COc3ccc(cn3)C(=O)N4CCS(=O)(=O)CC4","InChI=1S/C21H22N4O5S/c1-14-3-4-16(11-22-14)20-18(15(2)30-24-20)13-29-19-6-5-17(12-23-19)21(26)25-7-9-31(27,28)10-8-25/h3-6,11-12H,7-10,13H2,1-2H3","","2022-11-08","2023-10-27","[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone","2023-11-01"],["QKG","4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide","C17 H19 N3 O2","C(Cn3c1c(ccc(c1)OC)c2ccnc(C)c23)CC(=O)N;COc1ccc2c(c1)n(CCCC(N)=O)c3c(C)nccc23;Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC","InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)","","2019-11-06","2020-02-07","4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide","2020-02-12"],["QKH","Methyl-cyclo-hepta-amylose","C49 H84 O35","O(C)C2C(O)C1OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(COC)C(OC2OC1CO)C(O)C3OC)C(O)C4OC)C(O)C5O)CO)C(O)C6O)C(OC)C7O)C(OC)C8OC;COC[CH]1O[CH]2O[CH]3[CH](O)[CH](OC)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](CO)O[CH](O[CH]7[CH](CO)O[CH](O[CH]8[CH](O)[CH](OC)[CH](O[CH]8CO)O[CH]1[CH](O)[CH]2OC)[CH](OC)[CH]7OC)[CH](O)[CH]6OC;COCC1C2C(C(C(O1)OC3C(OC(C(C3O)OC)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6OC)O)OC7C(OC(C(C7OC)OC)OC8C(OC(O2)C(C8O)OC)CO)CO)CO)CO)CO)CO)OC)O","InChI=1S/C49H84O35/c1-64-14-21-34-28(62)40(68-5)48(77-21)80-32-17(10-52)74-46(38(66-3)26(32)60)79-31-16(9-51)71-43(24(58)23(31)57)78-30-15(8-50)72-44(25(59)22(30)56)83-35-19(12-54)73-45(29(63)37(35)65-2)84-36-20(13-55)76-49(42(70-7)41(36)69-6)81-33-18(11-53)75-47(82-34)39(67-4)27(33)61/h15-63H,8-14H2,1-7H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1","Methyl-beta-cyclodextrin;\n(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,\n\n46S,47R,48S,49R)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,\n\n17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane\n-36,37,38,39,41,44,46,48-octol","2007-08-07","2020-07-17","(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,41,44,46,48-octol (non-preferred name)",""],["QKI","(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide","C17 H12 Cl2 N2 O2","Clc1ccc(cc1Cl)C(O)C(=O)Nc1cncc2ccccc21;O[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)O","InChI=1S/C17H12Cl2N2O2/c18-13-6-5-10(7-14(13)19)16(22)17(23)21-15-9-20-8-11-3-1-2-4-12(11)15/h1-9,16,22H,(H,21,23)/t16-/m0/s1","","2023-08-18","2023-11-03","(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QKJ","3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","C18 H24 N4 O4","c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N;CCc1nc(N)nc(N)c1OCCCOc2cccc(CCC(O)=O)c2;CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O","InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22)","","2019-11-06","2020-11-06","3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","2020-11-11"],["QKK","5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid","C12 H11 F2 N7 O5 S2","NC(=N)NNC(=O)Nc1c(F)cc(cc1F)[S](=O)(=O)Nc2scnc2C(O)=O;c1c(cc(c(c1F)NC(=O)NNC(=N)N)F)S(=O)(=O)Nc2c(ncs2)C(=O)O","InChI=1S/C12H11F2N7O5S2/c13-5-1-4(2-6(14)7(5)18-12(24)20-19-11(15)16)28(25,26)21-9-8(10(22)23)17-3-27-9/h1-3,21H,(H,22,23)(H4,15,16,19)(H2,18,20,24)","","2020-06-22","2020-08-28","5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid","2020-09-02"],["QKL","(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O;OC(=O)[CH]1Cc2ccccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1ccc2c(c1)CC(C2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O4/c25-19(12-5-7-14(8-6-12)22-21(28)23-15-9-10-15)24-18-16-4-2-1-3-13(16)11-17(18)20(26)27/h1-8,15,17-18H,9-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t17-,18-/m0/s1","","2022-06-14","2022-07-01","(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QKM","4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile","C22 H17 F2 N5 O S","CC(C(c1c(ccc(c1)F)F)(Cn2ncnc2)O)c4nc(c3ccc(cc3)C#N)cs4;C[CH](c1scc(n1)c2ccc(cc2)C#N)[C](O)(Cn3cncn3)c4cc(F)ccc4F;CC(c1nc(cs1)c2ccc(cc2)C#N)C(Cn3cncn3)(c4cc(ccc4F)F)O","InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1","Isavuconazole","2019-11-07","2021-03-01","4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile","2020-10-21"],["QKO","1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea","C16 H18 N6 O4 S2","N[S](=O)(=O)c1ccc(NC(=S)N[CH]2CCN(C2)c3cccc(n3)[N+]([O-])=O)cc1;c1cc(nc(c1)[N+](=O)[O-])N2CCC(C2)NC(=S)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C16H18N6O4S2/c17-28(25,26)13-6-4-11(5-7-13)18-16(27)19-12-8-9-21(10-12)14-2-1-3-15(20-14)22(23)24/h1-7,12H,8-10H2,(H2,17,25,26)(H2,18,19,27)/t12-/m1/s1","(R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide","2022-11-08","2023-11-17","1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea","2023-11-22"],["QKP","2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one","C27 H34 N2 O6","c2(OCC(CN1CCN(CC1)C)O)c(cc(cc2C)C3=CC(c4c(cc(cc4O3)OC)OC)=O)C;COc1cc(OC)c2C(=O)C=C(Oc2c1)c3cc(C)c(OC[CH](O)CN4CCN(C)CC4)c(C)c3;Cc1cc(cc(c1OCC(CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3","InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1","","2019-11-08","2020-04-10","2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one","2020-04-15"],["QKQ","~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide","C22 H21 N5 O2","COc1ccc(cc1)c2cncc3ccc(nc23)C(=O)NCCCn4ccnc4;COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4","InChI=1S/C22H21N5O2/c1-29-18-6-3-16(4-7-18)19-14-24-13-17-5-8-20(26-21(17)19)22(28)25-9-2-11-27-12-10-23-15-27/h3-8,10,12-15H,2,9,11H2,1H3,(H,25,28)","","2020-06-22","2020-11-13","~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide","2020-11-18"],["QKR","2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide","C17 H10 Cl2 F2 N2 O","Clc1ccc(cc1Cl)C(F)(F)C(=O)Nc1cncc2ccccc21;FC(F)(C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)(F)F","InChI=1S/C17H10Cl2F2N2O/c18-13-6-5-11(7-14(13)19)17(20,21)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24)","","2023-08-18","2023-11-03","2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["QKT","Diperodon (S-enantiomer)","C22 H27 N3 O4","O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3","InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m0/s1","","2020-06-23","2021-01-08","[(2~{S})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate","2021-01-13"],["QKU","3-[3-(hydroxymethyl)phenyl]benzoic acid","C14 H12 O3","OCc1cccc(c1)c2cccc(c2)C(O)=O;c1cc(cc(c1)c2cccc(c2)C(=O)O)CO","InChI=1S/C14H12O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-8,15H,9H2,(H,16,17)","","2017-07-27","2018-01-05","3-[3-(hydroxymethyl)phenyl]benzoic acid","2018-01-10"],["QKV","(6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol","C13 H16 Br N O3","Brc2ccc1OC3(OCc1c2)CCN(CO)CC3;OCN1CCC2(CC1)OCc3cc(Br)ccc3O2;c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO","InChI=1S/C13H16BrNO3/c14-11-1-2-12-10(7-11)8-17-13(18-12)3-5-15(9-16)6-4-13/h1-2,7,16H,3-6,8-9H2","","2011-02-02","2024-09-27","(6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol",""],["QKW","(4-chlorophenyl)methyl pyridine-3-carboxylate","C13 H10 Cl N O2","Clc1ccc(COC(=O)c2cccnc2)cc1;c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl","InChI=1S/C13H10ClNO2/c14-12-5-3-10(4-6-12)9-17-13(16)11-2-1-7-15-8-11/h1-8H,9H2","","2020-06-23","2020-07-24","(4-chlorophenyl)methyl pyridine-3-carboxylate","2020-07-29"],["QKX","(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O;OC(=O)[CH]1Cc2ccccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1ccc2c(c1)CC(C2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O4/c25-19(12-5-7-14(8-6-12)22-21(28)23-15-9-10-15)24-18-16-4-2-1-3-13(16)11-17(18)20(26)27/h1-8,15,17-18H,9-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t17-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QKY","(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one","C18 H25 N3 O","N1=C(N)N(C)C(=O)C1(c2ccccc2)CCC3CCCCC3;CN1C(=N[C](CCC2CCCCC2)(C1=O)c3ccccc3)N;CN1C(=O)C(N=C1N)(CCC2CCCCC2)c3ccccc3","InChI=1S/C18H25N3O/c1-21-16(22)18(20-17(21)19,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,19,20)/t18-/m1/s1","","2019-11-12","2020-08-14","(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one","2020-08-19"],["QKZ","2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide","C12 H10 Cl N3 O","Clc1ccc(CC(=O)Nc2ncccn2)cc1;c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl","InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)","","2020-06-23","2020-07-24","2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide","2020-07-29"],["QL0","3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C11 H13 N O2 S","CN(CCS)C(=O)c1cccc(C=O)c1;CN(CCS)C(=O)c1cccc(c1)C=O","InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3","","2022-11-08","2024-09-27","3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2023-03-29"],["QL1","(5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one","C21 H27 N3 O2","N4(C(N)=NC(C13CC2CC(C1)CC(C2)C3)(C4=O)c5ccc(cc5)OC)C;COc1ccc(cc1)[C]2(N=C(N)N(C)C2=O)C34CC5CC(CC(C5)C3)C4;CN1C(=O)C(N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4","InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13-,14+,15-,20-,21-/m1/s1","","2019-11-12","2020-08-14","(5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one","2020-08-19"],["QL2","6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile","C14 H10 F2 N6","Fc1cc(cc(F)c1)Nc3nc(nc2c3ncn2CC)C#N;CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N;CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N","InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)","","2009-06-26","2024-09-27","6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile",""],["QL3","N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide","C25 H21 Cl N4 O2","O=C(C)Nc1ccc(cn1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21;CC(=O)Nc1ccc(cn1)N(Cc2cccc(Cl)c2)C(=O)Cc3cncc4ccccc34;CC(=O)Nc1ccc(cn1)N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4","InChI=1S/C25H21ClN4O2/c1-17(31)29-24-10-9-22(15-28-24)30(16-18-5-4-7-21(26)11-18)25(32)12-20-14-27-13-19-6-2-3-8-23(19)20/h2-11,13-15H,12,16H2,1H3,(H,28,29,31)","","2023-08-18","2023-11-03","N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide","2023-11-08"],["QL4","(4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid","C19 H23 N2 O8 P","N(=C/c1c(c(ncc1COP(O)(O)=O)C)O)C(COc2ccccc2)CCC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCC(O)=O)COc2ccccc2)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCC(=O)O)COc2ccccc2)O","InChI=1S/C19H23N2O8P/c1-13-19(24)17(14(9-20-13)11-29-30(25,26)27)10-21-15(7-8-18(22)23)12-28-16-5-3-2-4-6-16/h2-6,9-10,15,24H,7-8,11-12H2,1H3,(H,22,23)(H2,25,26,27)/b21-10+/t15-/m0/s1","","2019-11-12","2020-10-02","(4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid","2020-10-07"],["QL5","(2,5-dimethylphenyl) pyridine-4-carboxylate","C14 H13 N O2","Cc1ccc(C)c(OC(=O)c2ccncc2)c1;Cc1ccc(c(c1)OC(=O)c2ccncc2)C","InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3","","2020-06-23","2020-07-24","(2,5-dimethylphenyl) pyridine-4-carboxylate","2020-07-29"],["QL6","3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid","C21 H20 N4 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2[NH]c1C(=O)O;OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc(cc3)NC(=O)NC4CC4","InChI=1S/C21H20N4O4/c26-19(12-5-7-13(8-6-12)23-21(29)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)25-18(16)20(27)28/h1-8,14,25H,9-11H2,(H,22,26)(H,27,28)(H2,23,24,29)","","2022-06-14","2022-07-01","3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid","2022-07-06"],["QL7","N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C24 H27 F N6 O4","C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5;CC(C)(O)[CH](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N5CCOCC5;CC(C)(C(CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O","InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1","","2019-11-13","2019-11-15","N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-11-20"],["QL8","2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid","C68 H80 N8 O14 S3","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(OCCCc5sc(nc5C(O)=O)N6CCc7cccc(C(=O)Nc8sc9ccccc9n8)c7C6)cc4)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O","InChI=1S/C68H80N8O14S3/c1-45-60(91-44-70-45)49-20-16-47(17-21-49)41-69-63(80)55-40-50(77)42-76(55)64(81)61(68(2,3)4)72-58(78)25-29-85-31-33-87-35-37-89-39-38-88-36-34-86-32-30-84-27-8-10-46-18-22-51(23-19-46)90-28-9-15-57-59(65(82)83)73-67(93-57)75-26-24-48-11-7-12-52(53(48)43-75)62(79)74-66-71-54-13-5-6-14-56(54)92-66/h5-7,11-14,16-23,44,50,55,61,77H,9,15,24-43H2,1-4H3,(H,69,80)(H,72,78)(H,82,83)(H,71,74,79)/t50-,55+,61-/m1/s1","","2020-06-24","2020-07-31","2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid","2020-08-05"],["QL9","3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C11 H12 Br N O2 S","CN(CCS)C(=O)c1ccc(C=O)c(Br)c1;CN(CCS)C(=O)c1ccc(c(c1)Br)C=O","InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3","","2022-11-08","2024-09-27","3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2023-03-29"],["QLA","2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione","C16 H10 F N O3","C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O;OC1=C(Nc2ccc(F)cc2)C(=O)c3ccccc3C1=O;c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F","InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H","","2019-11-14","2020-05-22","2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione","2020-05-27"],["QLB","2-[2-(2-octoxyethoxy)ethoxy]ethanol","C14 H30 O4","CCCCCCCCOCCOCCOCCO;CCCCCCCCOCCOCCOCCO","InChI=1S/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3","","2020-06-24","2021-04-30","2-[2-(2-octoxyethoxy)ethoxy]ethanol","2021-05-05"],["QLC","(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide","C20 H18 Cl2 N2 O3","Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21;COCCO[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;COCCOC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3","InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1","","2023-08-18","2023-11-03","(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide","2023-11-08"],["QLD","ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate","C30 H32 Cl N9 O5","[C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(OCC)=O)c4cc(Cl)ccc4n5nnnc5;CCOC(=O)[CH]1CCCC[CH](NC(=O)C=Cc2cc(Cl)ccc2n3cnnn3)c4[nH]cc(n4)c5ccc(NC(=O)OC)cc5N1;CCOC(=O)C1CCCCC(c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C30H32ClN9O5/c1-3-45-29(42)23-7-5-4-6-22(36-27(41)13-8-18-14-19(31)9-12-26(18)40-17-33-38-39-40)28-32-16-25(37-28)21-11-10-20(15-24(21)35-23)34-30(43)44-2/h8-17,22-23,35H,3-7H2,1-2H3,(H,32,37)(H,34,43)(H,36,41)/b13-8+/t22-,23+/m0/s1","","2019-11-15","2020-01-24","ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate","2020-01-29"],["QLE","[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate","C22 H37 N O5","O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CCN(C)C)C1C)C)C)CC;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)CCN(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C;CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)CCN(C)C)C)C)C","InChI=1S/C22H37NO5/c1-8-19-14(2)9-10-18(24)15(3)13-16(4)21(17(5)22(26)27-19)28-20(25)11-12-23(6)7/h9-10,14-17,19,21H,8,11-13H2,1-7H3/b10-9+/t14-,15-,16+,17-,19-,21+/m1/s1","","2012-08-17","2014-09-05","(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethyl-beta-alaninate","2013-08-28"],["QLF","(1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H19 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc2NCCCc2c1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3cnc4NCCCc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3cc4c(nc3)NCCC4)C(=O)O","InChI=1S/C19H19N3O4/c23-15-5-1-4-12-13(15)8-14(19(25)26)16(12)22-18(24)11-7-10-3-2-6-20-17(10)21-9-11/h1,4-5,7,9,14,16,23H,2-3,6,8H2,(H,20,21)(H,22,24)(H,25,26)/t14-,16+/m0/s1","","2022-06-14","2022-07-08","(1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["QLG","[(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMIDOYL]-4-(2-METHYLPROPYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C13 H18 N4 O4","O=C(N)CCC(=[N@H])C1=N/C(C(=O)N1CC(=O)O)=C/C(C)C;CC(C)C=C1N=C(N(CC(O)=O)C1=O)C(=N)CCC(N)=O;[H]N=C(CCC(=O)N)C1=NC(=CC(C)C)C(=O)N1CC(=O)O","InChI=1S/C13H18N4O4/c1-7(2)5-9-13(21)17(6-11(19)20)12(16-9)8(14)3-4-10(15)18/h5,7,14H,3-4,6H2,1-2H3,(H2,15,18)(H,19,20)/b9-5+,14-8-","CHROMOPHORE (GLN-LEU-GLY)","2006-09-14","2024-09-27","[(4E)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["QLH","5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile","C16 H15 F3 N4","N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F;c1cc2c(ccc(c2nc1)C#N)N3CC(CC(C3)N)C(F)(F)F","InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1","","2020-06-29","2020-12-25","5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile","2020-12-30"],["QLI","(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid","C10 H11 N O5","O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1N;N[CH]1[CH](OC(=C)C(O)=O)C=CC=C1C(O)=O;C=C(C(=O)O)OC1C=CC=C(C1N)C(=O)O","InChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1","2-amino-2-deoxy-isochorismic acid","2011-03-23","2020-06-17","(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid",""],["QLJ","ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate","C32 H33 Cl N8 O5","C2(CCCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)[C@H]=[C@H]c4cc(ccc4n5nnnc5)Cl)C(OCC)=O;CCOC(=O)[CH]1CCCC[CH](NC(=O)C=Cc2cc(Cl)ccc2n3cnnn3)c4cc(ccn4)c5ccc(NC(=O)OC)cc5N1;CCOC(=O)C1CCCCC(c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C32H33ClN8O5/c1-3-46-31(43)26-7-5-4-6-25(38-30(42)13-8-21-16-22(33)9-12-29(21)41-19-35-39-40-41)28-17-20(14-15-34-28)24-11-10-23(18-27(24)37-26)36-32(44)45-2/h8-19,25-26,37H,3-7H2,1-2H3,(H,36,44)(H,38,42)/b13-8+/t25-,26+/m0/s1","","2019-11-15","2020-01-24","ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate","2020-01-29"],["QLL","2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol","C20 H18 N4 O2 S2","Oc1nc(ncc1SC)SCc1n[NH]c2cccc(OCc3ccccc3)c21;CSc1cnc(SCc2n[nH]c3cccc(OCc4ccccc4)c23)nc1O;CSc1cnc(nc1O)SCc2c3c(cccc3OCc4ccccc4)[nH]n2","InChI=1S/C20H18N4O2S2/c1-27-17-10-21-20(22-19(17)25)28-12-15-18-14(23-24-15)8-5-9-16(18)26-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,23,24)(H,21,22,25)","","2023-05-08","2023-06-09","2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol","2023-06-14"],["QLM","methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate","C29 H30 Cl N9 O5","[C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(=O)OC)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(N[CH](CCCC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]c2cn5)C(=O)OC)c1;COC(=O)C1CCCCC(c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C29H30ClN9O5/c1-43-28(41)22-6-4-3-5-21(35-26(40)12-7-17-13-18(30)8-11-25(17)39-16-32-37-38-39)27-31-15-24(36-27)20-10-9-19(14-23(20)34-22)33-29(42)44-2/h7-16,21-22,34H,3-6H2,1-2H3,(H,31,36)(H,33,42)(H,35,40)/b12-7+/t21-,22+/m0/s1","","2019-11-15","2020-01-24","methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate","2020-01-29"],["QLN","3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid","C25 H16 N2 O3","OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#C;C#Cc1ccc(cc1)C=CC2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O","InChI=1S/C25H16N2O3/c1-2-17-10-12-18(13-11-17)14-15-23-26-22-9-4-3-8-21(22)24(28)27(23)20-7-5-6-19(16-20)25(29)30/h1,3-16H,(H,29,30)/b15-14+","","2018-12-18","2019-11-22","3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid","2019-11-27"],["QLO","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C22 H20 Cl N3 O3","CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;CNC(=O)C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CNC(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QLP","N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE","C13 H20 N3 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)N;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCC(N)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)N)C(=O)O)O","InChI=1S/C13H20N3O8P/c1-7-12(18)9(8(4-15-7)6-24-25(21,22)23)5-16-10(13(19)20)2-3-11(14)17/h4,10,16,18H,2-3,5-6H2,1H3,(H2,14,17)(H,19,20)(H2,21,22,23)/t10-/m0/s1","N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE","2006-11-17","2020-06-17","N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamine",""],["QLQ","~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide","C40 H49 N11 O5","Cc1cc(C[CH](NC(=O)N2CCC3(CC2)OC(=O)Nc4ncccc34)C(=O)N[CH](CC5CCNCC5)C(=O)N6CCN(CC6)c7ccncc7)cc8c[nH]nc18;Cc1cc(cc2c1n[nH]c2)CC(C(=O)NC(CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7","InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1","","2020-06-24","2020-07-10","~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide","2020-07-15"],["QLR","6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine","C19 H24 N4 O3","C(#CC(c1cc(OC)c(OC)c(OC)c1)CC)c2c(nc(nc2C)N)N;CC[CH](C#Cc1c(C)nc(N)nc1N)c2cc(OC)c(OC)c(OC)c2;CCC(C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC","InChI=1S/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)/t12-/m0/s1","","2011-02-15","2011-07-15","6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine",""],["QLS","methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate","C28 H27 Cl F3 N9 O3","[C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(F)(F)F)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(N[CH](CCCC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]c2cn5)C(F)(F)F)c1;COC(=O)Nc1ccc-2c(c1)NC(CCCCC(c3[nH]c2cn3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)C(F)(F)F","InChI=1S/C28H27ClF3N9O3/c1-44-27(43)35-18-8-9-19-21(13-18)36-24(28(30,31)32)5-3-2-4-20(26-33-14-22(19)38-26)37-25(42)11-6-16-12-17(29)7-10-23(16)41-15-34-39-40-41/h6-15,20,24,36H,2-5H2,1H3,(H,33,38)(H,35,43)(H,37,42)/b11-6+/t20-,24+/m0/s1","","2019-11-15","2020-01-24","methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate","2020-01-29"],["QLT","Triethyltin bromide","C6 H15 Br Sn","CC[Sn](Br)(CC)CC;CC[Sn](CC)(CC)Br","InChI=1S/3C2H5.BrH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1","bromanyl(triethyl)stannane","2020-06-29","2021-03-01","bromanyl(triethyl)stannane","2020-11-18"],["QLU","(1R,2R)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H19 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc2NCCCc2c1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3cnc4NCCCc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3cc4c(nc3)NCCC4)C(=O)O","InChI=1S/C19H19N3O4/c23-15-5-1-4-12-13(15)8-14(19(25)26)16(12)22-18(24)11-7-10-3-2-6-20-17(10)21-9-11/h1,4-5,7,9,14,16,23H,2-3,6,8H2,(H,20,21)(H,22,24)(H,25,26)/t14-,16+/m1/s1","","2022-06-14","2022-07-08","(1R,2R)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["QLV","N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide","C15 H20 F2 N2 O3 S","c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O;COc1ncc(N[S](C)(=O)=O)cc1C=CC2CCC(F)(F)CC2;COc1c(cc(cn1)NS(=O)(=O)C)C=CC2CCC(CC2)(F)F","InChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+","","2019-11-15","2020-06-19","N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide","2020-06-24"],["QLW","N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine","C22 H25 N2","N(c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3)(C)C;CN(C)c1cc[n+](Cc2ccc(CCc3ccccc3)cc2)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3","InChI=1S/C22H25N2/c1-23(2)22-14-16-24(17-15-22)18-21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-17H,8-9,18H2,1-2H3/q+1","","2013-11-21","2014-09-05","4-(dimethylamino)-1-[4-(2-phenylethyl)benzyl]pyridinium","2014-01-15"],["QLX","(2~{S},4~{R})-~{N}-[(1~{S})-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C54 H65 Cl N10 O9 S2","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CC(=O)NCCOCCOCCOCCNC(=O)C[CH]2N=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)c6ccc(cc6)c7scnc7C)c8onc(C)c8;Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(CC(=O)NCCOCCOCCOCCNC(=O)CC3c4nnc(n4-c5c(c(c(s5)C)C)C(=N3)c6ccc(cc6)Cl)C)c7ccc(cc7)c8c(ncs8)C)O","InChI=1S/C54H65ClN10O9S2/c1-30(2)47(44-24-31(3)63-74-44)53(70)64-28-40(66)25-43(64)52(69)60-41(36-8-10-38(11-9-36)50-33(5)58-29-75-50)26-45(67)56-16-18-71-20-22-73-23-21-72-19-17-57-46(68)27-42-51-62-61-35(7)65(51)54-48(32(4)34(6)76-54)49(59-42)37-12-14-39(55)15-13-37/h8-15,24,29-30,40-43,47,66H,16-23,25-28H2,1-7H3,(H,56,67)(H,57,68)(H,60,69)/t40-,41+,42+,43+,47-/m1/s1","","2022-11-09","2023-02-10","(2~{S},4~{R})-~{N}-[(1~{S})-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-02-15"],["QLZ","5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine","C18 H22 N4 O2","n2c(c(C#CCc1cc(OC)ccc1OC)c(nc2N)N)CCC;CCCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC;CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC","InChI=1S/C18H22N4O2/c1-4-6-15-14(17(19)22-18(20)21-15)8-5-7-12-11-13(23-2)9-10-16(12)24-3/h9-11H,4,6-7H2,1-3H3,(H4,19,20,21,22)","","2011-02-15","2011-07-15","5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine",""],["QM1","3-(carboxymethyl)pyridine-2-carboxylic acid","C8 H7 N O4","c1cnc(c(c1)CC(O)=O)C(=O)O;OC(=O)Cc1cccnc1C(O)=O;c1cc(c(nc1)C(=O)O)CC(=O)O","InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)","","2019-11-18","2020-01-24","3-(carboxymethyl)pyridine-2-carboxylic acid","2020-01-29"],["QM2","2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid","C17 H14 N2 O2 S2","OC(=O)CSc1ncnc2cc(sc12)c3ccc(cc3)C4CC4;c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4","InChI=1S/C17H14N2O2S2/c20-15(21)8-22-17-16-13(18-9-19-17)7-14(23-16)12-5-3-11(4-6-12)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,20,21)","","2020-06-29","2020-07-24","2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid","2020-07-29"],["QM3","(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione","C21 H15 Cl N2 O3","Clc1ccc2OCCC3(CC(=O)N(C3=O)c3cncc4ccccc43)c2c1;Clc1ccc2OCC[C]3(CC(=O)N(C3=O)c4cncc5ccccc45)c2c1;c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl","InChI=1S/C21H15ClN2O3/c22-14-5-6-18-16(9-14)21(7-8-27-18)10-19(25)24(20(21)26)17-12-23-11-13-3-1-2-4-15(13)17/h1-6,9,11-12H,7-8,10H2/t21-/m0/s1","","2023-08-18","2023-11-03","(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione","2023-11-08"],["QM4","(2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid","C24 H22 N2 O7","N1CCN(C(C1C(O)=O)C(O)=O)C(c4ccc3c2c(cc(CCC(O)=O)cc2)ccc3c4)=O;OC(=O)CCc1ccc2c(ccc3cc(ccc23)C(=O)N4CCN[CH]([CH]4C(O)=O)C(O)=O)c1;c1cc2c(ccc3c2ccc(c3)C(=O)N4CCNC(C4C(=O)O)C(=O)O)cc1CCC(=O)O","InChI=1S/C24H22N2O7/c27-19(28)8-2-13-1-6-17-14(11-13)3-4-15-12-16(5-7-18(15)17)22(29)26-10-9-25-20(23(30)31)21(26)24(32)33/h1,3-7,11-12,20-21,25H,2,8-10H2,(H,27,28)(H,30,31)(H,32,33)/t20-,21+/m1/s1","","2019-11-18","2020-01-24","(2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid","2020-01-29"],["QM5","(2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid","C18 H21 N3 O6","COc1ccc(NNc2ccc(CO[CH]([CH](N)C(O)=O)C(O)=O)cc2)cc1;COc1ccc(cc1)NNc2ccc(cc2)COC(C(C(=O)O)N)C(=O)O","InChI=1S/C18H21N3O6/c1-26-14-8-6-13(7-9-14)21-20-12-4-2-11(3-5-12)10-27-16(18(24)25)15(19)17(22)23/h2-9,15-16,20-21H,10,19H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1","","2020-06-30","2021-01-22","(2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid","2021-01-27"],["QM6","3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid","C21 H19 N3 O5","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2oc1C(=O)O;OC(=O)c1oc2ccccc2c1CNC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1ccc2c(c1)c(c(o2)C(=O)O)CNC(=O)c3ccc(cc3)NC(=O)NC4CC4","InChI=1S/C21H19N3O5/c25-19(12-5-7-13(8-6-12)23-21(28)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)29-18(16)20(26)27/h1-8,14H,9-11H2,(H,22,25)(H,26,27)(H2,23,24,28)","","2022-06-14","2022-07-01","3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid","2022-07-06"],["EF4","oligomycin C","C45 H74 O10","CC(CC3OC2(C(C)C1C(C(CCC(C=CC=CCC(C(C(C(C(C(C(C(C(C(C(C=CC(O1)=O)C)O)C)=O)C)O)C)=O)C)O)C)CC)O2)C)CCC3C)O;CC[CH]1CC[CH]2O[C]3(CC[CH](C)[CH](C[CH](C)O)O3)[CH](C)[CH](OC(=O)C=C[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC=CC=C1)[CH]2C;CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C","InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m0/s1","","2015-05-29","2015-08-21","(1R,4E,5'S,6S,6'S,7R,8S,10R,11S,12S,14S,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,15-trihydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione","2015-08-26"],["EF5","2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide","C26 H22 N2 O4 S2","CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3)c(n2)c4ccccc4)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4","InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)","","2018-03-16","2018-07-13","2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide","2018-07-18"],["EF6","N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide","C14 H12 Cl N3 O4 S2","N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl;N[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc3c(Cl)c[nH]c23;c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl","InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)","Indisulam","2019-08-05","2020-06-17","N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide","2019-11-13"],["EF8","6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium","C19 H37 N5 O5 P","CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)OCCCCCCN=[N+]=N;CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N","InChI=1S/C19H36N5O5P/c1-4-15(5-2)29-18-13-16(12-17(20)19(18)23-14(3)25)30(26,27)28-11-9-7-6-8-10-22-24-21/h13,15,17-19,21H,4-12,20H2,1-3H3,(H-,23,25,26,27)/p+1/t17-,18+,19+/m0/s1","","2018-03-16","2019-01-18","6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium","2019-01-23"],["E","N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C30 H28 N5 O9 P","O=P(O)(O)OCC8OC(n2cnc1c(ncnc12)NC5c4c7c3c6c(ccc3cc4C(O)C(O)C5O)cccc6cc7)CC8O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N[CH]4[CH](O)[CH](O)[CH](O)c5cc6ccc7cccc8ccc(c45)c6c78)ncnc23;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C(C(C(C4O)O)O)Nc6c7c(ncn6)n(cn7)C8CC(C(O8)COP(=O)(O)O)O","InChI=1S/C30H28N5O9P/c36-18-9-20(44-19(18)10-43-45(40,41)42)35-12-33-25-29(31-11-32-30(25)35)34-24-23-16-7-6-14-3-1-2-13-4-5-15(22(16)21(13)14)8-17(23)26(37)28(39)27(24)38/h1-8,11-12,18-20,24,26-28,36-39H,9-10H2,(H,31,32,34)(H2,40,41,42)/t18-,19+,20+,24+,26-,27-,28+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine 5'-(dihydrogen phosphate)",""],["EF9","(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid","C10 H17 N O3 S","C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O;CC(CS)C(=O)N1CCCC(C1)C(=O)O","InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1","","2019-12-17","2020-12-11","(3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid","2020-12-16"],["EFA","5'-deoxy-2-ethynyl-5'-fluoroadenosine","C12 H12 F N5 O3","FCC3OC(n2cnc1c(nc(C#C)nc12)N)C(O)C3O;Nc1nc(nc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH]3O)C#C;C#Cc1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N","InChI=1S/C12H12FN5O3/c1-2-6-16-10(14)7-11(17-6)18(4-15-7)12-9(20)8(19)5(3-13)21-12/h1,4-5,8-9,12,19-20H,3H2,(H2,14,16,17)/t5-,8-,9-,12-/m1/s1","","2014-02-18","2014-05-23","5'-deoxy-2-ethynyl-5'-fluoroadenosine","2014-05-28"],["EFB","oligomycin B","C45 H72 O12","CC1C3(OC2C(C1OC(=O)C=CC(C)C(O)C(C)C(=O)C(C(O)C(C)C(=O)C(C(O)C(CC=CC=CC(CC)CC2)C)(C)O)C)C)C(CC(C)C(O3)CC(C)O)=O;CC[CH]1CC[CH]2O[C]3(O[CH](C[CH](C)O)[CH](C)CC3=O)[CH](C)[CH](OC(=O)C=C[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(=O)[C](C)(O)[CH](O)[CH](C)CC=CC=C1)[CH]2C;CCC1CCC2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C","InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m0/s1","","2015-05-29","2015-08-21","(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27S,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone","2015-08-26"],["EFC","S,S-(2-FLUOROETHYL)THIOCYSTEINE","C5 H10 F N O2 S2","FCCSSCC(C(=O)O)N;N[CH](CSSCCF)C(O)=O;C(CSSCC(C(=O)O)N)F","InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","3-[(2-fluoroethyl)disulfanyl]-L-alanine",""],["EFD","avacopan","C33 H35 F4 N3 O2","C1N(C(C(CC1)C(Nc2ccc(c(c2)C(F)(F)F)C)=O)c3ccc(cc3)NC4CCCC4)C(c5c(cccc5F)C)=O;Cc1ccc(NC(=O)[CH]2CCCN([CH]2c3ccc(NC4CCCC4)cc3)C(=O)c5c(C)cccc5F)cc1C(F)(F)F;Cc1cccc(c1C(=O)N2CCCC(C2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F","InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1","(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzene-1-carbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide","2018-01-08","2021-03-13","(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzene-1-carbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide","2018-05-30"],["EFE","ENANTIO-PYOCHELIN FE(III)","C14 H14 Fe N2 O3 S2","O=C4O[Fe]35Oc1c(cccc1)C=2SCC([N+]=23)C6SCC4[N+]56C;CN1|2[CH]3CS[CH]1[CH]4CSC5=[N+]4[Fe]|2(OC3=O)Oc6ccccc56;C[N+]12C3CSC1C4CSC5=[N+]4[Fe]2(Oc6c5cccc6)OC3=O","InChI=1S/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17;/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19);/q;+4/p-2/t9-,10+,13-;/m0./s1","","2011-02-16","2011-12-02","[(2S,3S,4S)-2-{(4S)-2-[2-(hydroxy-kappaO)phenyl]-4,5-dihydro-1,3-thiazol-4-yl-kappaN}-3-methyl-1,3-thiazolidine-4-carboxylato(2-)-kappa~2~N,O]iron(2+)",""],["EFF","1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide","C10 H18 N2 O2 S","C[CH](CS)C(=O)N1CCC(CC1)C(N)=O;CC(CS)C(=O)N1CCC(CC1)C(=O)N","InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1","","2019-12-17","2020-12-11","1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide","2020-12-16"],["EFG","1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one","C12 H13 F N5 O7 P","O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O;O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)Nc4nccn4c23;c1cn-2c(n1)NC(=O)c3c2n(cn3)C4C(C(C(O4)COP(=O)(O)O)O)F","InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1","2'-F-N2,3-etheno-2'-deoxyarabinoguanosine","2012-01-04","2020-06-17","1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one",""],["EFH","(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one","C28 H24 F N5 O4","Fc1cccc(c1)[CH]2[CH](N(C3CCN(CC3)C(=O)n4nnc5ccccc45)C2=O)c6ccc7OCOc7c6;c1ccc2c(c1)nnn2C(=O)N3CCC(CC3)N4C(C(C4=O)c5cccc(c5)F)c6ccc7c(c6)OCO7","InChI=1S/C28H24FN5O4/c29-19-5-3-4-17(14-19)25-26(18-8-9-23-24(15-18)38-16-37-23)33(27(25)35)20-10-12-32(13-11-20)28(36)34-22-7-2-1-6-21(22)30-31-34/h1-9,14-15,20,25-26H,10-13,16H2/t25-,26-/m1/s1","","2023-07-18","2024-09-27","(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one","2024-01-31"],["EFI","(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile","C16 H18 F3 N3","FC(F)(F)c1cc(ccc1)NC1CCCC2CN(CC21)C#N;FC(F)(F)c1cccc(N[CH]2CCC[CH]3CN(C[CH]23)C#N)c1;c1cc(cc(c1)NC2CCCC3C2CN(C3)C#N)C(F)(F)F","InChI=1S/C16H18F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h2,4-5,7,11,14-15,21H,1,3,6,8-9H2/t11-,14+,15-/m1/s1","","2021-12-06","2024-09-27","(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile","2023-06-14"],["EFJ","2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine","C16 H14 Br N5 S","Cc1cc(C)n2c(Br)c(CSc3[nH]c4ccccc4n3)nc2n1;Cc1cc(n2c(c(nc2n1)CSc3[nH]c4ccccc4n3)Br)C","InChI=1S/C16H14BrN5S/c1-9-7-10(2)22-14(17)13(19-15(22)18-9)8-23-16-20-11-5-3-4-6-12(11)21-16/h3-7H,8H2,1-2H3,(H,20,21)","","2022-01-05","2023-04-14","2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine","2023-04-19"],["EFK","oxidanyl(oxidanylidene)molybdenum","H Mo O2","O[Mo]=O;O[Mo]=O","InChI=1S/Mo.H2O.O/h;1H2;/q+1;;/p-1","","2018-03-16","2018-10-26","oxidanyl(oxidanylidene)molybdenum","2018-10-31"],["EFL","5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide","C17 H17 Br N2 O5 S","COc1c(cc(cc1)Br)S(Nc3cc2OC(C)(C)C(=O)Nc2cc3)(=O)=O;COc1ccc(Br)cc1[S](=O)(=O)Nc2ccc3NC(=O)C(C)(C)Oc3c2;CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C","InChI=1S/C17H17BrN2O5S/c1-17(2)16(21)19-12-6-5-11(9-14(12)25-17)20-26(22,23)15-8-10(18)4-7-13(15)24-3/h4-9,20H,1-3H3,(H,19,21)","","2018-01-05","2018-12-28","5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide","2019-01-02"],["EFM","5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide","C18 H19 Br N2 O6 S","COc2cc1NC(=O)C(Oc1cc2NS(=O)(c3cc(Br)ccc3OC)=O)(C)C;COc1cc2NC(=O)C(C)(C)Oc2cc1N[S](=O)(=O)c3cc(Br)ccc3OC;CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C","InChI=1S/C18H19BrN2O6S/c1-18(2)17(22)20-11-8-14(26-4)12(9-15(11)27-18)21-28(23,24)16-7-10(19)5-6-13(16)25-3/h5-9,21H,1-4H3,(H,20,22)","","2018-01-05","2018-12-28","5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide","2019-01-02"],["EFN","5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide","C17 H17 Br N2 O6 S","COc1c(cc(cc1)Br)S(Nc3cc2OC(C)(C)C(=O)Nc2cc3O)(=O)=O;COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3OC(C)(C)C(=O)Nc3cc2O;CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C","InChI=1S/C17H17BrN2O6S/c1-17(2)16(22)19-11-7-12(21)10(8-14(11)26-17)20-27(23,24)15-6-9(18)4-5-13(15)25-3/h4-8,20-21H,1-3H3,(H,19,22)","","2018-01-05","2018-12-28","5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide","2019-01-02"],["EFO","Oligomycin A","C45 H74 O11","O=C2C(O)(C)C(O)C(C)CC=CC=CC(CC)CCC3OC1(OC(C(CC1)C)CC(O)C)C(C)C(OC(=O)C=CC(C)C(O)C(C(=O)C(C)C(O)C2C)C)C3C;CC[CH]1CC[CH]2O[C]3(CC[CH](C)[CH](C[CH](C)O)O3)[CH](C)[CH](OC(=O)C=C[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(=O)[C](C)(O)[CH](O)[CH](C)CC=CC=C1)[CH]2C;CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C","InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m0/s1","(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione","2012-05-23","2021-03-13","(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione",""],["EFP","N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide","C18 H22 N4 O3","O=C(NC3CC(n1cc(nc1)NC(=O)Cc2ccc(OC)cc2)C3)C;COc1ccc(CC(=O)Nc2cn(cn2)[CH]3C[CH](C3)NC(C)=O)cc1;CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC","InChI=1S/C18H22N4O3/c1-12(23)20-14-8-15(9-14)22-10-17(19-11-22)21-18(24)7-13-3-5-16(25-2)6-4-13/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,20,23)(H,21,24)/t14-,15+","","2009-07-30","2011-06-04","N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide",""],["EFQ","N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide","C16 H19 N3 O3","O=C(Nc1ncn(c1)C2CC(O)C2)Cc3ccc(OC)cc3;COc1ccc(CC(=O)Nc2cn(cn2)[CH]3C[CH](O)C3)cc1;COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O","InChI=1S/C16H19N3O3/c1-22-14-4-2-11(3-5-14)6-16(21)18-15-9-19(10-17-15)12-7-13(20)8-12/h2-5,9-10,12-13,20H,6-8H2,1H3,(H,18,21)/t12-,13+","","2009-07-30","2011-06-04","N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide",""],["EFR","2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide","C11 H20 N2 O2 S","C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O;CC(CS)C(=O)N1CCC(CC1)CC(=O)N","InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1","","2019-12-17","2020-12-11","2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide","2020-12-16"],["EFS","ETHYL DIHYDROGEN PHOSPHATE","C2 H7 O4 P","O=P(O)(O)OCC;CCO[P](O)(O)=O;CCOP(=O)(O)O","InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)","","2003-04-30","2024-09-27","ethyl dihydrogen phosphate",""],["EFT","(2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile","C16 H19 N3 O","N#CC(c2nnc1cc(O)ccc12)CC3CCCCC3;Oc1ccc2c([nH]nc2[CH](CC3CCCCC3)C#N)c1;c1cc2c(cc1O)[nH]nc2C(CC3CCCCC3)C#N","InChI=1S/C16H19N3O/c17-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(20)9-15(14)18-19-16/h6-7,9,11-12,20H,1-5,8H2,(H,18,19)/t12-/m0/s1","","2012-04-09","2012-06-22","(2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile",""],["EFU","N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide","C24 H23 N3 O2","O=C(c1cc2c(cc1O)nnc2Cc3cccc(c3)C)N(Cc4ccccc4)C;CN(Cc1ccccc1)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O;Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4","InChI=1S/C24H23N3O2/c1-16-7-6-10-18(11-16)12-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)15-17-8-4-3-5-9-17/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)","","2012-04-09","2012-06-22","N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide",""],["EFV","{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile","C19 H16 N6 O3","COc1c(ncc(c1)c3ccc2C(N(Cc2n3)c4cn(nc4)CC#N)=O)OC;COc1cc(cnc1OC)c2ccc3C(=O)N(Cc3n2)c4cnn(CC#N)c4;COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N","InChI=1S/C19H16N6O3/c1-27-17-7-12(8-21-18(17)28-2)15-4-3-14-16(23-15)11-25(19(14)26)13-9-22-24(10-13)6-5-20/h3-4,7-10H,6,11H2,1-2H3","","2018-01-09","2018-06-22","{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile","2018-06-27"],["EFW","6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide","C11 H15 N3 O2","O=C(c2cnc(NC1CC(O)CC1)cc2)N;NC(=O)c1ccc(N[CH]2CC[CH](O)C2)nc1;c1cc(ncc1C(=O)N)NC2CCC(C2)O","InChI=1S/C11H15N3O2/c12-11(16)7-1-4-10(13-6-7)14-8-2-3-9(15)5-8/h1,4,6,8-9,15H,2-3,5H2,(H2,12,16)(H,13,14)/t8-,9-/m1/s1","","2012-04-10","2016-03-11","6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide","2016-03-16"],["EFX","3-(3-methoxycarbonylphenyl)benzoic acid","C15 H12 O4","COC(=O)c1cccc(c1)c2cccc(c2)C(O)=O;COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C15H12O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9H,1H3,(H,16,17)","","2017-07-27","2018-01-05","3-(3-methoxycarbonylphenyl)benzoic acid","2018-01-10"],["EFY","N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide","C25 H29 N3 O3","O=C(c1cccc(c1)C(C)(C)C)NCC4(NC(=O)c2cccc3nocc23)CCCC4;CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34;CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4","InChI=1S/C25H29N3O3/c1-24(2,3)18-9-6-8-17(14-18)22(29)26-16-25(12-4-5-13-25)27-23(30)19-10-7-11-21-20(19)15-31-28-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,26,29)(H,27,30)","","2012-04-10","2016-03-11","N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide","2016-03-16"],["EFZ","(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE","C14 H9 Cl F3 N O2","FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2;FC(F)(F)[C]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3;c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F","InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1","DMP-266; Efavirenz","2000-08-15","2020-06-17","(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one",""],["EG0","2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid","C11 H19 N O3 S","C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O;CC(CS)C(=O)N1CCC(CC1)CC(=O)O","InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1","","2019-12-17","2020-12-11","2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid","2020-12-16"],["EG1","AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE","C15 H24 N4 O6 S","O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCNC(=O)CN)cc1;NCC(=O)NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N","InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)","","1999-07-08","2011-06-04","N-(2-{2-[2-(glycylamino)ethoxy]ethoxy}ethyl)-4-sulfamoylbenzamide",""],["EG2","AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE","C13 H21 N3 O5 S","O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCN)cc1;NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N","InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)","","1999-07-08","2011-06-04","N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-sulfamoylbenzamide",""],["EG3","PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE","C22 H30 N4 O6 S","O=S(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C(N)Cc2ccccc2;N[CH](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)[S](N)(=O)=O;c1ccc(cc1)CC(C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N","InChI=1S/C22H30N4O6S/c23-20(16-17-4-2-1-3-5-17)22(28)26-11-13-32-15-14-31-12-10-25-21(27)18-6-8-19(9-7-18)33(24,29)30/h1-9,20H,10-16,23H2,(H,25,27)(H,26,28)(H2,24,29,30)/t20-/m0/s1","","1999-07-08","2011-06-04","N-{2-[2-(2-{[(4-sulfamoylphenyl)carbonyl]amino}ethoxy)ethoxy]ethyl}-L-phenylalaninamide",""],["EG5","(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C35 H40 Cl N5 O7","CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)O)C=C6","InChI=1S/C35H40ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28+,29-,35+/m0/s1","","2018-03-16","2018-03-23","(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2018-03-28"],["EG6","N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine","C15 H13 F3 N2 O4 S","O=C(O)C(NC(=O)c1sc(nc1C)c2ccc(cc2)C(F)(F)F)CO;Cc1nc(sc1C(=O)N[CH](CO)C(O)=O)c2ccc(cc2)C(F)(F)F;Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O","InChI=1S/C15H13F3N2O4S/c1-7-11(12(22)20-10(6-21)14(23)24)25-13(19-7)8-2-4-9(5-3-8)15(16,17)18/h2-5,10,21H,6H2,1H3,(H,20,22)(H,23,24)","","2014-09-22","2015-01-16","N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine","2015-01-21"],["EG7","(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid","C24 H26 Cl F2 N5 O2","c1(cccc(c1F)Cl)CN2CCC(C(=O)O)(CC2C)Cc3c(ccc(n3)Nc4cc(C)nn4)F;C[CH]1C[C](CCN1Cc2cccc(Cl)c2F)(Cc3nc(Nc4cc(C)[nH]n4)ccc3F)C(O)=O;Cc1cc(n[nH]1)Nc2ccc(c(n2)CC3(CCN(C(C3)C)Cc4cccc(c4F)Cl)C(=O)O)F","InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1","","2018-01-10","2019-01-18","(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid","2019-01-23"],["EG8","N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine","C17 H20 N6","n1ccc(nc1n2ccnc2)CCNCCCc3cccnc3;C(CNCCc1ccnc(n1)n2ccnc2)Cc3cccnc3;c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3","InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2","N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl)propan-1-amine","2014-10-21","2021-03-01","N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine","2014-12-24"],["EGA","ethyl beta-D-galactopyranoside","C8 H16 O6","O(CC)C1OC(C(O)C(O)C1O)CO;CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m1/s1","ethyl beta-D-galactoside; ethyl D-galactoside; ethyl galactoside","2014-05-22","2020-07-17","ethyl beta-D-galactopyranoside","2014-06-18"],["EGB","(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE","C16 H18 N2 O2 S","O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CC(C3)(C)C;CC1(C)CC(=O)C2=C(C1)NC(=S)N[CH]2c3cccc(O)c3;CC1(CC2=C(C(NC(=S)N2)c3cccc(c3)O)C(=O)C1)C","InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,14,19H,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1","","2010-02-26","2011-06-04","(4S)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one",""],["EGC","2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX\nY}-ETHOXY)-ETHANOL","C32 H58 O10","O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO;CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1;CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3","TRITON X-100","2001-08-02","2020-06-17","26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol",""],["EGD","N-ETHYLGUANIDINE","C3 H9 N3","[N@H]=C(N)NCC;CCNC(N)=N;[H]N=C(N)NCC","InChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)","","2005-11-21","2011-06-04","1-ethylguanidine",""],["EGE","4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid","C18 H15 N5 O5 S","Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O;c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3cc(c(cc3N)O)C(=O)O","InChI=1S/C18H15N5O5S/c19-14-10-16(24)13(18(25)26)9-15(14)22-21-11-4-6-12(7-5-11)29(27,28)23-17-3-1-2-8-20-17/h1-10,24H,19H2,(H,20,23)(H,25,26)/b22-21+","","2018-03-18","2020-01-03","4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid","2020-01-08"],["EGF","~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide","C33 H41 N5 O8","CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4;Cc1cc(no1)C(=O)NC(C(C)C)C(=O)NC2C(OCCC=CCOC(=O)C=CC(NC2=O)CC3CCNC3=O)c4ccccc4","InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1","","2019-12-20","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide","2020-06-17"],["EGG","(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate","C22 H18 O11","O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4;Oc1cc(O)c2C[CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](Oc2c1)c4cc(O)c(O)c(O)c4;c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","epigallocatechin 3-gallate","2009-03-24","2011-09-27","(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate",""],["EGH","(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one","C18 H17 Br F N O4","COc1cc2NC(=O)C[CH](c3cc(Br)ccc3F)c2c(OC)c1OC;COc1cc2c(c(c1OC)OC)C(CC(=O)N2)c3cc(ccc3F)Br","InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)/t11-/m0/s1","","2018-03-18","2020-01-03","(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one","2020-01-08"],["EGI","ethyl 5-nitrothiophene-2-carboxylate","C7 H7 N O4 S","CCOC(=O)c1sc(cc1)[N+]([O-])=O;CCOC(=O)c1ccc(s1)[N+](=O)[O-]","InChI=1S/C7H7NO4S/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4H,2H2,1H3","","2022-04-19","2022-04-22","ethyl 5-nitrothiophene-2-carboxylate","2022-04-27"],["EGJ","(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid","C27 H26 Cl F N4 O2 S","c5ccc(CN1CCC(C(O)=O)(CC1C)Cc2c4ccccc4cc(n2)Nc3sccn3)c(c5Cl)F;C[CH]1C[C](CCN1Cc2cccc(Cl)c2F)(Cc3nc(Nc4sccn4)cc5ccccc35)C(O)=O;CC1CC(CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O","InChI=1S/C27H26ClFN4O2S/c1-17-14-27(25(34)35,9-11-33(17)16-19-6-4-8-21(28)24(19)29)15-22-20-7-3-2-5-18(20)13-23(31-22)32-26-30-10-12-36-26/h2-8,10,12-13,17H,9,11,14-16H2,1H3,(H,34,35)(H,30,31,32)/t17-,27+/m0/s1","","2018-01-10","2019-01-18","(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid","2019-01-23"],["EGK","(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile","C16 H18 F3 N3","FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C#N;FC(F)(F)c1ccccc1N[CH]2CCC[CH]3CN(C[CH]23)C#N;c1ccc(c(c1)C(F)(F)F)NC2CCCC3C2CN(C3)C#N","InChI=1S/C16H18F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-2,5-6,11-12,14,21H,3-4,7-9H2/t11-,12+,14-/m1/s1","","2021-12-06","2024-09-27","(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile","2023-06-14"],["EGL","ETHYLENE GLYCOL","C2 H6 O2","OCCO;OCCO;C(CO)O","InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2","","1999-12-17","2008-10-14","ethane-1,2-diol",""],["EGM","4-ethylbenzoic acid","C9 H10 O2","O=C(O)c1ccc(cc1)CC;CCc1ccc(cc1)C(O)=O;CCc1ccc(cc1)C(=O)O","InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)","","2012-04-09","2013-02-15","4-ethylbenzoic acid","2013-02-15"],["EGN","4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one","C23 H32 N3 O2 S","CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14;CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4","InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3/p+1","","2018-03-19","2020-01-03","4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one","2020-01-08"],["EGO","5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid","C24 H18 Cl F N2 O3","Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4;Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4","InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30)","","2019-12-20","2020-12-18","5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid","2020-12-23"],["EGP","N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea","C31 H39 N7 O2 S","n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6;CN1CCN(CC1)Cc2cn(CC(=O)N3CCOCC3)c4cc(NC(=S)NCCc5c[nH]c6ccccc56)ccc24;CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6","InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)","","2018-01-10","2019-01-11","N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea","2019-01-16"],["EGR","ethyl 3,4,5-trihydroxybenzoate","C9 H10 O5","O=C(OCC)c1cc(O)c(O)c(O)c1;CCOC(=O)c1cc(O)c(O)c(O)c1;CCOC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3","ethyl gallate","2013-02-14","2021-03-01","ethyl 3,4,5-trihydroxybenzoate","2013-05-22"],["EGT","2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL","C15 H14 O7","Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O;O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3cc(O)c(O)c(O)c3;c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)O","InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1","EPIGALLOCATECHIN","2001-08-14","2021-03-01","(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",""],["EGU","4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid","C21 H16 Cl2 F N3 O4 S","COc1ccc2CN(Cc2c1)c3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O)=O;CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl","InChI=1S/C21H16Cl2FN3O4S/c1-26(16-7-14(22)15(24)6-13(16)20(29)30)19(28)17-18(23)32-21(25-17)27-8-10-3-4-12(31-2)5-11(10)9-27/h3-7H,8-9H2,1-2H3,(H,29,30)","","2019-12-20","2020-12-18","4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid","2020-12-23"],["EGV","(4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid","C6 H11 N3 O4","C(O)(C(CC(CNC(=N)N)O)=O)=O;NC(=N)NC[CH](O)CC(=O)C(O)=O;C(C(CNC(=N)N)O)C(=O)C(=O)O","InChI=1S/C6H11N3O4/c7-6(8)9-2-3(10)1-4(11)5(12)13/h3,10H,1-2H2,(H,12,13)(H4,7,8,9)/t3-/m0/s1","","2018-01-10","2018-03-02","(4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid","2018-03-07"],["EGW","4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide","C25 H23 F N2 O3","NC(=O)c1ccc(Oc2cccc(c2)C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1;c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F","InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)","","2018-03-20","2018-05-18","4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide","2018-05-23"],["EGX","1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione","C22 H19 N3 O2","O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCNCC5;c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5","InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2","","2019-12-20","2020-09-25","1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione","2020-09-30"],["EGY","(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium","C33 H67 N O8 P","OP(=O)(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1","","2018-01-10","2018-01-26","(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium","2018-01-31"],["EGZ","(3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid","C18 H25 N O13 S","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH]3OC4=C(S[CH]23)C(=O)N[CH](C4)C(O)=O)[CH](O)[CH](O)[CH]1O;C1C(NC(=O)C2=C1OC3C(S2)C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O","InChI=1S/C18H25NO13S/c20-2-6-8(22)10(24)11(25)17(30-6)32-12-9(23)7(3-21)31-18-14(12)33-13-5(29-18)1-4(16(27)28)19-15(13)26/h4,6-12,14,17-18,20-25H,1-3H2,(H,19,26)(H,27,28)/t4-,6+,7+,8-,9-,10-,11+,12-,14+,17-,18+/m0/s1","","2018-03-21","2018-08-17","(3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid","2018-08-22"],["EH0","4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid","C28 H21 Cl F2 N2 O9","OC(=O)CCCOc1c(F)cc(cc1F)c2c(onc2C(=O)NCc3ccc(cc3)C(O)=O)c4cc(Cl)c(O)cc4O;c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O","InChI=1S/C28H21ClF2N2O9/c29-17-10-16(20(34)11-21(17)35)25-23(15-8-18(30)26(19(31)9-15)41-7-1-2-22(36)37)24(33-42-25)27(38)32-12-13-3-5-14(6-4-13)28(39)40/h3-6,8-11,34-35H,1-2,7,12H2,(H,32,38)(H,36,37)(H,39,40)","","2019-12-20","2020-09-25","4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid","2020-09-30"],["EH1","4-cyclohexylbenzoic acid","C13 H16 O2","C1(CCCCC1)c2ccc(C(=O)O)cc2;OC(=O)c1ccc(cc1)C2CCCCC2;c1cc(ccc1C2CCCCC2)C(=O)O","InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)","","2018-01-10","2019-01-11","4-cyclohexylbenzoic acid","2019-01-16"],["EH2","2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid","C13 H10 O2 S","OC(=O)c1ccccc1C=Cc2sccc2;c1ccc(c(c1)C=Cc2cccs2)C(=O)O","InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+","","2018-03-22","2019-06-21","2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid","2019-06-26"],["EH3","4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid","C30 H34 Cl N3 O9 S","C[S](=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NC[CH]4CC[CH](CC4)C(O)=O)c5cc(Cl)c(O)cc5O;CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl","InChI=1S/C30H34ClN3O9S/c1-44(40,41)34-12-10-21(11-13-34)42-20-8-6-18(7-9-20)26-27(29(37)32-16-17-2-4-19(5-3-17)30(38)39)33-43-28(26)22-14-23(31)25(36)15-24(22)35/h6-9,14-15,17,19,21,35-36H,2-5,10-13,16H2,1H3,(H,32,37)(H,38,39)/t17-,19+","","2019-12-20","2020-09-25","4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid","2020-09-30"],["EH5","N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE","C46 H51 N3 O10","O=C2c1ccccc1C(=O)N2CCC(=O)N(CC(O)C(NC(=O)c4cc(OC)c(OCc3ccccc3)c(OC)c4)Cc5ccccc5)CCC6CCC7OCOC7C6;COc1cc(cc(OC)c1OCc2ccccc2)C(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC[CH]4CC[CH]5OCO[CH]5C4)C(=O)CCN6C(=O)c7ccccc7C6=O;COc1cc(cc(c1OCc2ccccc2)OC)C(=O)NC(Cc3ccccc3)C(CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O","InChI=1S/C46H51N3O10/c1-55-40-25-33(26-41(56-2)43(40)57-28-32-13-7-4-8-14-32)44(52)47-36(23-30-11-5-3-6-12-30)37(50)27-48(21-19-31-17-18-38-39(24-31)59-29-58-38)42(51)20-22-49-45(53)34-15-9-10-16-35(34)46(49)54/h3-16,25-26,31,36-39,50H,17-24,27-29H2,1-2H3,(H,47,52)/t31-,36-,37-,38?,39?/m0/s1","","2002-05-10","2011-06-04","N-[(1S,2S)-1-benzyl-3-([3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]{2-[(3aR,5S,7aS)-hexahydro-1,3-benzodioxol-5-yl]ethyl}amino)-2-hydroxypropyl]-4-(benzyloxy)-3,5-dimethoxybenzamide",""],["EH6","2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid","C19 H14 Cl N O2","OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3;c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O","InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)","","2019-12-24","2020-04-10","2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid","2020-04-15"],["EH8","4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine","C15 H13 N3","Cn1cnc(c2ccccc2)c1c3ccncc3;Cn1cnc(c1c2ccncc2)c3ccccc3","InChI=1S/C15H13N3/c1-18-11-17-14(12-5-3-2-4-6-12)15(18)13-7-9-16-10-8-13/h2-11H,1H3","","2018-03-23","2019-06-21","4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine","2019-06-26"],["EH9","(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol","C14 H23 N5 O","n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N;CCCCCC[CH]([CH](C)O)n1cnc2c(N)ncnc12;CCCCCCC(C(C)O)n1cnc2c1ncnc2N","InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1","Erythro-9-[3-(2-hydroxynonyl)] adenine; EHNA","2007-08-22","2020-05-27","(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol",""],["EHA","(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID","C33 H31 N O5","O=C(c1ccccc1)c5cc4ccc(OCCCOc2cc3c(cc2)n(cc3)CC(=O)O)c(c4cc5)CCC;CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc4cc(ccc14)C(=O)c5ccccc5;CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5","InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)","2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID","2005-11-29","2020-06-17","[5-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propoxy)-1H-indol-1-yl]acetic acid",""],["EHB","(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one","C12 H13 N O2 S","O=C(C=C2/Sc1ccc(O)cc1N2CC)C;CCN1C(Sc2ccc(O)cc12)=CC(C)=O;CCN1c2cc(ccc2SC1=CC(=O)C)O","InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3/b12-6-","","2010-09-16","2011-06-04","(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one",""],["EHC","2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid","C21 H16 Cl N O3","OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3;c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl","InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)","","2019-12-24","2020-04-10","2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid","2020-04-15"],["EHD","4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE","C20 H16 N2 O4","O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5;CC[C]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O;CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O","InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1","CAMPTOTHECIN","2004-06-09","2021-03-01","(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione",""],["EHE","5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one","C16 H19 N3 O","CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3;CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3","InChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3","","2018-03-23","2019-06-21","5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one","2019-06-26"],["EHF","(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid","C20 H18 N2 O5","O=C(O)C(O)(C=4C=C3c2nc1ccccc1cc2CN3C(=O)C=4CO)CC;CC[C](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1;CCC(C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O","InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1","Camptothecin, open form","2013-07-03","2021-03-13","(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid","2013-07-24"],["EHG","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9H-purin-2-amine","C12 H18 N5 O8 P","O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCCO)N)CC3O;Nc1nc(OCCO)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2OCCO)N","InChI=1S/C12H18N5O8P/c13-12-15-10-9(11(16-12)23-2-1-18)14-5-17(10)8-3-6(19)7(25-8)4-24-26(20,21)22/h5-8,18-19H,1-4H2,(H2,13,15,16)(H2,20,21,22)/t6-,7+,8+/m0/s1","","2012-04-27","2012-06-15","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9H-purin-2-amine",""],["EHH","[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine","C18 H20 N4","Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C;Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN","InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3","","2018-03-23","2019-06-21","[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine","2019-06-26"],["EHI","8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine","C19 H19 N5","Cn1cc(nc1CCc2nn3cccc(C)c3n2)c4ccccc4;Cc1cccn2c1nc(n2)CCc3nc(cn3C)c4ccccc4","InChI=1S/C19H19N5/c1-14-7-6-12-24-19(14)21-17(22-24)10-11-18-20-16(13-23(18)2)15-8-4-3-5-9-15/h3-9,12-13H,10-11H2,1-2H3","","2022-01-05","2023-04-14","8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine","2023-04-19"],["EHK","5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one","C15 H18 N4 O","CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3;CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3","InChI=1S/C15H18N4O/c1-11-10-14(20)19(13-4-8-17-9-5-13)18-15(11)12-2-6-16-7-3-12/h2-3,6-7,10,13,17H,4-5,8-9H2,1H3","","2018-03-23","2019-06-21","5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one","2019-06-26"],["EHL","5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide","C14 H10 N4 O4 S","Cc1onc(c2ccccc2)c1C(=O)Nc3sc(cn3)[N+]([O-])=O;Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]","InChI=1S/C14H10N4O4S/c1-8-11(12(17-22-8)9-5-3-2-4-6-9)13(19)16-14-15-7-10(23-14)18(20)21/h2-7H,1H3,(H,15,16,19)","","2019-12-24","2020-11-20","5-methyl-~{N}-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide","2020-11-25"],["EHM","(2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE","C4 H9 N O5","O=C(NO)C(O)C(O)CO;OC[CH](O)[CH](O)C(=O)NO;C(C(C(C(=O)NO)O)O)O","InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1","D-ERYTHRONOHYDROXAMATE","2006-08-04","2020-06-17","(2R,3R)-N,2,3,4-tetrahydroxybutanamide",""],["EHN","ETHANE","C2 H6","CC;CC;CC","InChI=1S/C2H6/c1-2/h1-2H3","","2002-11-01","2014-10-08","ethane",""],["EHO","2-phenylazanylbenzoic acid","C13 H11 N O2","OC(=O)c1ccccc1Nc2ccccc2;c1ccc(cc1)Nc2ccccc2C(=O)O","InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)","","2019-12-24","2020-04-10","2-phenylazanylbenzoic acid","2020-04-15"],["EHP","3-HYDROXYPHENYLALANINE","C9 H11 N O3","O=C(O)C(N)Cc1cc(O)ccc1;N[CH](Cc1cccc(O)c1)C(O)=O;c1cc(cc(c1)O)CC(C(=O)O)N","InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h12H","","1999-07-08","2009-01-07","3-hydroxy-L-phenylalanine",""],["EHQ","3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole","C13 H12 N4 O","Cc1onc(C)c1c2n[nH]cc2c3ccncc3;Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3","InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)","","2018-03-23","2019-06-21","3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole","2019-06-26"],["EHR","2-[(2-phenylphenyl)amino]benzoic acid","C19 H15 N O2","OC(=O)c1ccccc1Nc2ccccc2c3ccccc3;c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O","InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)","","2019-12-24","2020-04-10","2-[(2-phenylphenyl)amino]benzoic acid","2020-04-15"],["EHS","2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID","C20 H20 N2 O11","OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)OCC(C(=O)O)NC(=O)c2cccc(c2O)O","InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12-/m0/s1","","2015-08-24","2016-05-20","(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanyl-propanoyl]oxy-propanoic acid","2016-05-25"],["EHT","3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole","C14 H14 N4 O","Cn1cnc(c1c2ccncc2)c3c(C)onc3C;Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3","InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3","","2018-03-23","2019-06-21","3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole","2019-06-26"],["EHU","2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid","C20 H17 Cl N2 O2","CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3;CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O","InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)","","2019-12-24","2020-04-10","2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid","2020-04-15"],["EHV","(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid","C11 H11 Br O4","Cc1cccc(c1C(CC(C(O)=O)O)=O)Br;Cc1cccc(Br)c1C(=O)C[CH](O)C(O)=O;Cc1cccc(c1C(=O)CC(C(=O)O)O)Br","InChI=1S/C11H11BrO4/c1-6-3-2-4-7(12)10(6)8(13)5-9(14)11(15)16/h2-4,9,14H,5H2,1H3,(H,15,16)/t9-/m0/s1","","2018-01-11","2018-08-31","(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid","2018-09-05"],["EHW","4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole","C18 H15 F N4 O","Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)onc4C;Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F","InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3","","2018-03-23","2019-06-21","4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole","2019-06-26"],["EHX","(9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole","C12 H11 N O2","OO[C]12CC=CC=C1c3ccccc3N2;c1ccc2c(c1)C3=CC=CCC3(N2)OO","InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1","","2019-12-25","2021-01-22","(9~{a}~{R})-9~{a}-(dioxidanyl)-1,9-dihydrocarbazole","2021-01-27"],["EHY","N-(2-phenylethyl)-N'-pyridin-3-ylthiourea","C14 H15 N3 S","c1ccc(cc1)CCNC(Nc2cccnc2)=S;S=C(NCCc1ccccc1)Nc2cccnc2;c1ccc(cc1)CCNC(=S)Nc2cccnc2","InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)","","2018-01-11","2019-01-11","N-(2-phenylethyl)-N'-pyridin-3-ylthiourea","2019-01-16"],["EHZ","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate","C25 H49 N2 O9 P S","CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O","InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1","","2018-03-23","2024-09-27","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate","2018-06-06"],["EI0","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate","C20 H26 O5","CC(C)(C)OC(=O)C1CC(Cc2ccccc2)(CCC1=O)C(=O)OC;COC(=O)[C]1(CCC(=O)[CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2;CC(C)(C)OC(=O)C1CC(CCC1=O)(Cc2ccccc2)C(=O)OC","InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20-/m1/s1","","2023-07-18","2024-09-27","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate","2024-07-24"],["EI1","3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL","C15 H14 N2 O2","Oc3ccc(n2nc1ccc(O)cc1c2CC)cc3;CCc1n(nc2ccc(O)cc12)c3ccc(O)cc3;CCc1c2cc(ccc2nn1c3ccc(cc3)O)O","InChI=1S/C15H14N2O2/c1-2-15-13-9-12(19)7-8-14(13)16-17(15)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3","","2007-06-28","2011-06-04","3-ethyl-2-(4-hydroxyphenyl)-2H-indazol-5-ol",""],["EI2","1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one","C18 H17 F3 N2 O","FC(F)(F)c1ccc(cc1)Nc1cccc2CN(Cc21)C(=O)CC;CCC(=O)N1Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2C1;CCC(=O)N1Cc2cccc(c2C1)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C18H17F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h3-9,22H,2,10-11H2,1H3","1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form","2021-12-06","2025-08-29","1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one","2025-09-03"],["EI3","5-methyl-2-(5-methylpyridin-2-yl)pyridine","C12 H12 N2","Cc1ccc(nc1)c2ccc(C)cn2;Cc1ccc(nc1)c2ccc(cn2)C","InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3","","2015-09-25","2024-09-27","5-methyl-2-(5-methylpyridin-2-yl)pyridine","2016-09-14"],["EI4","Enduracididine","C6 H12 N4 O2","N[CH](C[CH]1CNC(=N)N1)C(O)=O;C1C(NC(=N)N1)CC(C(=O)O)N","InChI=1S/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4-/m0/s1","","2022-01-05","2024-09-27","(2~{S})-2-azanyl-3-[(4~{S})-2-azanylideneimidazolidin-4-yl]propanoic acid","2022-08-03"],["EI5","3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid","C23 H23 Cl N2 O3","O[CH](CNCCNc1cccc(c1)c2cccc(c2)C(O)=O)c3cccc(Cl)c3;c1cc(cc(c1)C(=O)O)c2cccc(c2)NCCNCC(c3cccc(c3)Cl)O","InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m1/s1","","2022-04-19","2022-04-29","3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid","2022-05-04"],["EI6","1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one","C18 H23 F3 N2 O","FC(F)(F)c1ccc(cc1)NC1CCCC2CN(CC21)C(=O)CC;CCC(=O)N1C[CH]2CCC[CH](Nc3ccc(cc3)C(F)(F)F)[CH]2C1;CCC(=O)N1CC2CCCC(C2C1)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C18H23F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h6-9,12,15-16,22H,2-5,10-11H2,1H3/t12-,15+,16+/m0/s1","1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form","2021-12-06","2025-08-29","1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one","2025-09-03"],["EI7","4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one","C6 H8 N2 O2","O=C1NOC2=C1CCNC2;C1CNCC2=C1C(=O)NO2","InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)","gaboxadol","2022-01-05","2022-08-22","4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one","2022-04-13"],["EI8","3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride","C23 H16 F N3 O5 S2","C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S(c4cc(S(=O)(=O)F)ccc4)(=O)=O;F[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4C=CNC(=O)c4c3;c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4","InChI=1S/C23H16FN3O5S2/c24-33(29,30)20-2-1-3-21(13-20)34(31,32)27(15-17-6-4-16(14-25)5-7-17)19-9-8-18-10-11-26-23(28)22(18)12-19/h1-13H,15H2,(H,26,28)","","2019-08-14","2024-09-27","3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride","2019-10-16"],["EI9","3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride","C21 H16 F N3 O5 S2","C1(=O)NC=Cc2c1cc(cc2)N(Cc3ccncc3)S(c4cccc(c4)S(=O)(=O)F)(=O)=O;F[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N(Cc2ccncc2)c3ccc4C=CNC(=O)c4c3;c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4","InChI=1S/C21H16FN3O5S2/c22-31(27,28)18-2-1-3-19(13-18)32(29,30)25(14-15-6-9-23-10-7-15)17-5-4-16-8-11-24-21(26)20(16)12-17/h1-13H,14H2,(H,24,26)","","2019-08-20","2024-09-27","3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride","2019-10-23"],["EIA","(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione","C29 H38 N2 O4","CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3C=C[CH]12)C5=O)O;CCC1C(CC2C1C=CC3C2CC4C3CC=CC(=O)NCCCC5C(=O)C(=C(C=C4)O)C(=O)N5)C","InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1","ikarugamycin","2023-06-14","2023-11-10","","2023-11-15"],["EIB","[(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate","C24 H32 O9","C[CH]1[CH]2[CH](CC(=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C)=O)OC(=O)C(C)=CCO;CC1C2C(CC(=CCC(C(=CC2OC1=O)C)OC(=O)C)COC(=O)C)OC(=O)C(=CCO)C","InChI=1S/C24H32O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,15,19-22,25H,7,9,11-12H2,1-5H3/b13-8+,14-10+,18-6-/t15-,19-,20+,21+,22-/m0/s1","Bound form of Eupalinolide B","2020-07-03","2024-09-27","[(3~{S},3~{a}~{R},4~{R},6~{Z},9~{S},10~{E},11~{a}~{R})-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3~{a},4,5,8,9,11~{a}-hexahydro-3~{H}-cyclodeca[b]furan-4-yl] (~{E})-2-methyl-4-oxidanyl-but-2-enoate","2022-08-24"],["EIC","LINOLEIC ACID","C18 H32 O2","O=C(O)CCCCCCCC=C/CC=C/CCCCC;CCCCCC=CCC=CCCCCCCCC(O)=O;CCCCCC=CCC=CCCCCCCCC(=O)O","InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-","9,12-LINOLEIC ACID","2001-04-20","2020-06-17","(9Z,12Z)-octadeca-9,12-dienoic acid",""],["EID","Lofentanil","C25 H32 N2 O3","O=C(OC)C1(CCN(CCc2ccccc2)CC1C)N(c1ccccc1)C(=O)CC;CCC(=O)N(c1ccccc1)[C]2(CCN(CCc3ccccc3)C[CH]2C)C(=O)OC;CCC(=O)N(c1ccccc1)C2(CCN(CC2C)CCc3ccccc3)C(=O)OC","InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1","methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate","2021-12-06","2022-12-02","methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate","2022-12-07"],["EIE","ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate","C15 H14 N6 O3","CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(ccc23)N=[N+]=[N-];CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-]","InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","","2022-01-05","2022-08-22","ethyl 8-azido-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate","2022-04-13"],["EIF","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C11 H15 F N5 O7 P","C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;CC1(C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O)F","InChI=1S/C11H15FN5O7P/c1-11(12)6(18)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1","","2023-07-18","2024-07-19","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2024-07-24"],["EIG","Mitragynine pseudoindoxyl","C23 H30 N2 O5","O=C(OC)C(=COC)C1CC2N(CC1CC)CCC21Nc2cccc(OC)c2C1=O;CC[CH]1CN2CC[C]3(Nc4cccc(OC)c4C3=O)[CH]2C[CH]1C(=COC)C(=O)OC;CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C(=O)c4c(cccc4OC)N3","InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14?,15-,19-,23-/m0/s1","methyl (2E)-4-[(2S,2'S)-1'-butyl-4-methoxy-3-oxo-1,3-dihydrospiro[indole-2,3'-pyrrolidin]-2'-yl]-2-(methoxymethylidene)butanoate","2021-12-06","2022-12-02","methyl (2E)-2-[(1'S,4'R,6'S,7'S,8'aS)-6'-ethyl-4-methoxy-3-oxo-1,2',3,3',6',7',8',8'a-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate","2022-12-07"],["EIH","2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine","C17 H15 N5 S","Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4;Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4","InChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3","","2022-01-06","2023-04-14","2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine","2023-04-19"],["EII","3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","C22 H30 N4 O4","Nc1nc(C2CCCCC2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;Nc1nc(N)c(OCCCOc2ccccc2CCC(O)=O)c(n1)C3CCCCC3;c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(nc2N)N)C3CCCCC3","InChI=1S/C22H30N4O4/c23-21-20(19(25-22(24)26-21)16-8-2-1-3-9-16)30-14-6-13-29-17-10-5-4-7-15(17)11-12-18(27)28/h4-5,7,10,16H,1-3,6,8-9,11-14H2,(H,27,28)(H4,23,24,25,26)","","2023-07-18","2024-08-23","3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","2024-08-28"],["EIJ","(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate","C47 H83 O13 P","OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22+,30-28+/t39-,42-,43-,44+,45-,46+,47-/m0/s1","","2021-12-06","2021-12-24","(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate","2021-12-29"],["EIK","5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine","C19 H20 N6","Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)c4ccccc4;Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C","InChI=1S/C19H20N6/c1-13-11-20-14(2)19-22-17(23-25(13)19)9-10-18-21-16(12-24(18)3)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3","","2022-01-06","2022-10-07","5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["EIL","[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C13 H15 N2 O7 P","CC1=CC(=NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(=O)O1;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2C=C(OC2=O)C)O","InChI=1S/C13H15N2O7P/c1-7-3-11(13(17)22-7)15-5-10-9(6-21-23(18,19)20)4-14-8(2)12(10)16/h3-4,16H,5-6H2,1-2H3,(H2,18,19,20)/b15-11+","","2022-04-19","2023-03-31","[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2023-04-05"],["EIM","(1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H46 O4","OC3C(=C)/C(=CC=C1/CCCC2(C(CC(OC)C12)C(C)CCCC(O)(C)C)C)CC(O)C3;CO[CH]1C[CH]([CH](C)CCCC(C)(C)O)[C]2(C)CCCC(=CC=C3C[CH](O)C[CH](O)C3=C)[CH]12;CC(CCCC(C)(C)O)C1CC(C2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OC","InChI=1S/C28H46O4/c1-18(9-7-13-27(3,4)31)23-17-25(32-6)26-20(10-8-14-28(23,26)5)11-12-21-15-22(29)16-24(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23-,24+,25+,26-,28-/m1/s1","","2011-04-07","2011-09-30","(1S,3R,5Z,7E,14beta,15alpha,17alpha)-15-methoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["EIN","(1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID","C17 H22 N O6 P S","O=P(O)(O)C(NS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C;COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C)C)[P](O)(O)=O;CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O","InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1","","2005-06-01","2011-06-04","[(1S)-1-{[(4'-methoxybiphenyl-4-yl)sulfonyl]amino}-2-methylpropyl]phosphonic acid",""],["EIO","(3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine","C13 H20 N5 O2 S2","NS(N)(O)C1(CC1)c1cc(nc(SC)n1)N1CCOCC1C;CSc1nc(cc(n1)C2(CC2)[S+](=N)(=N)=O)N3CCOC[CH]3C;CC1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O","InChI=1S/C13H20N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9,14-15H,3-6,8H2,1-2H3/q+1/t9-/m1/s1","","2021-12-07","2022-01-14","(3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine","2022-01-19"],["EIP","4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE","C5 H14 O8 P2","O=P(OP(=O)(OCCC(CO)C)O)(O)O;C[CH](CO)CCO[P](O)(=O)O[P](O)(O)=O;CC(CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1","","2002-12-18","2024-09-27","(3S)-4-hydroxy-3-methylbutyl trihydrogen diphosphate",""],["EIQ","~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide","C18 H16 N2 O2 S","O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3;c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cc3ccncc3","InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2","","2022-01-07","2023-01-13","~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide","2023-01-18"],["EIS","N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide","C36 H69 N O11 S","O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)NC(=O)CCCCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O","InChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34+,35-,36+/m0/s1","","2012-09-13","2013-04-05","N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide","2013-04-10"],["EIT","((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)ETHOXY)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE","C15 H21 N4 O9 P","O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCn2ccnc2)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCn3ccnc3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCn3ccnc3","InChI=1S/C15H21N4O9P/c1-9-6-19(15(22)17-13(9)21)14-12(26-5-4-18-3-2-16-8-18)11(20)10(28-14)7-27-29(23,24)25/h2-3,6,8,10-12,14,20H,4-5,7H2,1H3,(H,17,21,22)(H2,23,24,25)/t10-,11-,12-,14-/m1/s1","2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE","2004-12-16","2021-03-01","2'-O-[2-(1H-imidazol-1-yl)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)",""],["EIU","(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione","C29 H40 N2 O5","CC[CH]1C[CH]2C[CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O;CCC1CC2CC3CC=CCC(=O)NCCCC4C(=O)C(=C(C=CC=CC(C3C2C1C)O)O)C(=O)N4","InChI=1S/C29H40N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,11-12,17-22,25-26,32-33H,3,8-10,13-16H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,11-5+,12-6+,27-23-/t17-,18+,19-,20+,21-,22-,25+,26-/m0/s1","","2023-06-15","2023-11-10","","2023-11-15"],["EIV","1-methyl-5-nitro-1H-imidazole","C4 H5 N3 O2","[O-][N+](=O)c1cncn1C;Cn1cncc1[N+]([O-])=O;Cn1cncc1[N+](=O)[O-]","InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3","","2021-12-07","2022-02-18","1-methyl-5-nitro-1H-imidazole","2022-02-23"],["EIW","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid","C102 H186 N2 O44 P2","CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]3(C[CH](O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O[CH]5O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]5O)[CH]4O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O[P](O)(O)=O)[CH](OC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCC)O[CH](O[P](O)(O)=O)[CH]1NC(=O)C[CH](O)CCCCCC;CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4C(C(C(C(O4)C(CO)O)O)OC5C(C(C(C(O5)C(CO)O)O)O)O)O)C(=O)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCC)OP(=O)(O)O)NC(=O)CC(CCCCCC)O)O","InChI=1S/C102H186N2O44P2/c1-7-13-19-25-29-32-35-39-44-50-66(109)56-79(117)141-94-81(103-75(113)55-65(108)49-43-24-18-12-6)98(148-150(131,132)133)139-73(84(94)120)63-134-97-82(104-76(114)57-67(136-77(115)53-47-38-23-17-11-5)51-45-40-36-33-30-26-20-14-8-2)95(142-80(118)58-68(52-46-41-37-34-31-27-21-15-9-3)137-78(116)54-48-42-28-22-16-10-4)93(147-149(128,129)130)74(140-97)64-135-102(101(126)127)59-72(83(119)92(146-102)71(112)62-107)138-100-89(125)96(88(124)91(144-100)70(111)61-106)145-99-87(123)85(121)86(122)90(143-99)69(110)60-105/h65-74,81-100,105-112,119-125H,7-64H2,1-6H3,(H,103,113)(H,104,114)(H,126,127)(H2,128,129,130)(H2,131,132,133)/t65-,66-,67-,68-,69+,70+,71-,72-,73-,74-,81+,82-,83-,84-,85+,86+,87+,88-,89+,90-,91-,92-,93-,94+,95-,96+,97-,98-,99-,100-,102-/m1/s1","","2022-01-07","2022-08-22","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid","2022-08-24"],["EIX","[(2R,3S,5S)-5-[(4R,5R)-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4H-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H17 F N3 O7 P S","C[C]1(F)[CH](S)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N;CC1(C(N(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O)S)F","InChI=1S/C10H17FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,8,15,23H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8+,10+/m0/s1","","2022-04-20","2024-09-27","[(2~{R},3~{S},5~{S})-5-[(4~{R},5~{R})-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4~{H}-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2022-11-30"],["EIZ","tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate","C18 H22 N2 O4 S","CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc2;CC(C)(C)OC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NCCO","InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(23)20-16-13(15(22)19-9-10-21)11-14(25-16)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,19,22)(H,20,23)","(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid","2022-01-10","2022-08-26","~{tert}-butyl ~{N}-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate","2022-08-31"],["EJ1","(2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid","C14 H22 N5 O7 P","C=1(NC=C(C(C=1O)=CN=C(/CCCN/C(N)=N)C(=O)O)COP(O)(O)=O)C;CC1=C(O)C(=CN=C(CCCNC(N)=N)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(CCCNC(=N)N)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,18,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b10-6-,19-11+","","2018-01-12","2018-03-02","(2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid","2018-03-07"],["EJ2","NI-FE REDUCED ACTIVE CENTER","C3 H Fe N2 Ni O","[Ni][H+][Fe](C#N)(C#N)C#[O+];[H+]([Fe](C#N)(C#N)C#[O+])[Ni]","InChI=1S/2CN.CO.Fe.Ni/c3*1-2;;/q;;+1;;/p+1","","2018-03-23","2018-12-14","(dicyano(oxidaniumylidynemethyl)ferrio)-nickelio-hydrogen(1+)","2018-12-19"],["EJ3","3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid","C23 H19 F N4 O5","COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O;CC(=O)n1cc(c2c1ccc(c2)OC)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C)C(=O)O","InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32)","","2022-04-20","2022-06-03","3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid","2022-06-08"],["EJ4","(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol","C26 H26 N2 O3","Oc4c3OC7c2c(c1ccccc1n2)CC6(O)C5N(CCC67c3c(cc4)C5)CC8CC8;Oc1ccc2C[CH]3N(CC[C]45[CH](Oc1c24)c6[nH]c7ccccc7c6C[C]35O)CC8CC8;c1ccc2c(c1)c3c([nH]2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8","InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1","Naltrindole","2012-04-13","2021-03-01","(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol",""],["EJ5","4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid","C14 H15 N3 O4","O=C1C(=C(O)N=C(N)N1)CCCc2ccc(C(=O)O)cc2;NC1=NC(=C(CCCc2ccc(cc2)C(O)=O)C(=O)N1)O;c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O","InChI=1S/C14H15N3O4/c15-14-16-11(18)10(12(19)17-14)3-1-2-8-4-6-9(7-5-8)13(20)21/h4-7H,1-3H2,(H,20,21)(H4,15,16,17,18,19)","","2008-09-19","2011-06-04","4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid",""],["EJ6","5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide","C22 H24 Cl F N4 O5 S","C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3=NNC(=O)O3)c4c(F)ccc(C)c4C;Cc1ccc(c(c1C)C(C)C(C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F","InChI=1S/C22H24ClFN4O5S/c1-11-5-7-15(24)17(12(11)2)13(3)18(21-25-26-22(29)33-21)27-34(30,31)16-8-6-14(23)19-20(16)32-10-9-28(19)4/h5-8,13,18,27H,9-10H2,1-4H3,(H,26,29)/t13-,18+/m1/s1","","2019-12-27","2020-12-18","5-chloranyl-~{N}-[(1~{S},2~{R})-2-(6-fluoranyl-2,3-dimethyl-phenyl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-sulfonamide","2020-12-23"],["EJ7","N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide","C18 H18 F N5 O3","c1(cc(c(cc1)F)C3(C)C2CC2OC(=N3)N)NC(=O)c4cnc(cn4)OC;COc1cnc(cn1)C(=O)Nc2ccc(F)c(c2)[C]3(C)N=C(N)O[CH]4C[CH]34;CC1(C2CC2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC","InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m0/s1","","2018-01-12","2018-02-16","N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide","2018-02-21"],["EJ8","[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid","C18 H22 N2 O11 P2 S","O[P](O)(=O)CSCC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O;c1ccc(cc1)C2(OCC3C(O2)CC(O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O","InChI=1S/C18H22N2O11P2S/c21-16-11(9-34-10-32(23,24)25)7-20(17(22)19-16)15-6-13-14(30-15)8-29-18(31-13,33(26,27)28)12-4-2-1-3-5-12/h1-5,7,13-15H,6,8-10H2,(H,19,21,22)(H2,23,24,25)(H2,26,27,28)/t13-,14-,15-,18-/m1/s1","","2018-03-23","2018-07-06","[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid","2018-07-11"],["EJ9","(2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C32 H39 N O6 S","Cc1ccc(cc1C)c2c(C)c(c3ccc4OCCCc4c3)c([CH](OC(C)(C)C)C(O)=O)c(C)c2N[S](C)(=O)=O;Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)C(C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C","InChI=1S/C32H39NO6S/c1-18-11-12-23(16-19(18)2)27-20(3)26(24-13-14-25-22(17-24)10-9-15-38-25)28(21(4)29(27)33-40(8,36)37)30(31(34)35)39-32(5,6)7/h11-14,16-17,30,33H,9-10,15H2,1-8H3,(H,34,35)/t30-/m0/s1","","2019-12-27","2020-09-18","(2~{S})-2-[2-(3,4-dihydro-2~{H}-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2020-09-23"],["EJA","S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine","C6 H10 N2 O5 S","NC(CSC(=N/O)CC(O)=O)C(O)=O;N[CH](CSC(CC(O)=O)=NO)C(O)=O;C(C(C(=O)O)N)SC(=NO)CC(=O)O","InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1","","2018-01-12","2024-09-27","S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine","2018-06-06"],["EJB","7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C23 H32 N6 O3 S","CCc1ncccc1CNCCCCSCC1OC(n2ccc3c(N)ncnc32)C(O)C1O;CCc1ncccc1CNCCCCSC[CH]2O[CH]([CH](O)[CH]2O)n3ccc4c(N)ncnc34;CCc1c(cccn1)CNCCCCSCC2C(C(C(O2)n3ccc4c3ncnc4N)O)O","InChI=1S/C23H32N6O3S/c1-2-17-15(6-5-9-26-17)12-25-8-3-4-11-33-13-18-19(30)20(31)23(32-18)29-10-7-16-21(24)27-14-28-22(16)29/h5-7,9-10,14,18-20,23,25,30-31H,2-4,8,11-13H2,1H3,(H2,24,27,28)/t18-,19-,20-,23-/m1/s1","","2021-12-08","2021-12-17","7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2021-12-22"],["EJC","5-propoxy-1H-indole","C11 H13 N O","CCCOc1ccc2[nH]ccc2c1;CCCOc1ccc2c(c1)cc[nH]2","InChI=1S/C11H13NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h3-6,8,12H,2,7H2,1H3","","2020-01-07","2021-01-08","5-propoxy-1~{H}-indole","2021-01-13"],["EJD","4-(thiophen-3-yl)benzoic acid","C11 H8 O2 S","c1(ccsc1)c2ccc(C(O)=O)cc2;OC(=O)c1ccc(cc1)c2cscc2;c1cc(ccc1c2ccsc2)C(=O)O","InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)","","2018-01-13","2019-01-11","4-(thiophen-3-yl)benzoic acid","2019-01-16"],["EJE","[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine","C22 H21 F N4","Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)cc(CN)cc4C;Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN","InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3","","2018-03-23","2019-06-21","[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine","2019-06-26"],["EJF","N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide","C27 H37 N5 O5","CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)c2cc3ccccc3[nH]2","InChI=1S/C27H37N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13-16,18-19,21,23,30H,9-12H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1","","2020-01-07","2024-09-27","~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1~{H}-indole-2-carboxamide","2020-05-27"],["EJG","tert-butyl N-[5-phenyl-3-(2-phenylethylcarbamoyl)thiophen-2-yl]carbamate","C24 H26 N2 O3 S","CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCc2ccccc2)c3ccccc3;CC(C)(C)OC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NCCc3ccccc3","InChI=1S/C24H26N2O3S/c1-24(2,3)29-23(28)26-22-19(16-20(30-22)18-12-8-5-9-13-18)21(27)25-15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,25,27)(H,26,28)","(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid","2022-01-10","2022-08-22","~{tert}-butyl ~{N}-[5-phenyl-3-(2-phenylethylcarbamoyl)thiophen-2-yl]carbamate","2022-08-24"],["EJH","[(~{S})-chloranyl-[[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid","C11 H18 Cl N2 O13 P3","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O","InChI=1S/C11H18ClN2O13P3/c1-5-3-14(11(17)13-9(5)16)8-2-6(15)7(26-8)4-25-30(23,24)27-29(21,22)10(12)28(18,19)20/h3,6-8,10,15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,10-/m0/s1","","2018-03-23","2018-06-29","[(~{S})-chloranyl-[[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid","2018-07-04"],["EJI","methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate","C23 H23 F N2 O4","COC(=O)c1ccc(cc1)[CH]2[CH](C(=O)N2C3CCN(CC3)C=O)c4ccc(F)cc4;COC(=O)c1ccc(cc1)C2C(C(=O)N2C3CCN(CC3)C=O)c4ccc(cc4)F","InChI=1S/C23H23FN2O4/c1-30-23(29)17-4-2-16(3-5-17)21-20(15-6-8-18(24)9-7-15)22(28)26(21)19-10-12-25(14-27)13-11-19/h2-9,14,19-21H,10-13H2,1H3/t20-,21+/m1/s1","","2023-07-18","2024-09-27","methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate","2024-01-31"],["EJJ","N-CARBAMOYL-GLYCINE","C3 H6 N2 O3","NC(=O)NCC(O)=O;C(C(=O)O)NC(=O)N","InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)","2-(aminocarbonylamino)ethanoic acid","2024-01-22","2024-12-20","2-(aminocarbonylamino)ethanoic acid","2024-12-25"],["EJK","4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile","C19 H14 Cl F4 N O6","OC[CH]1O[CH](Oc2ccc(cc2Cl)c3c(F)c(F)c(C#N)c(F)c3F)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C19H14ClF4NO6/c20-8-3-6(11-14(23)12(21)7(4-25)13(22)15(11)24)1-2-9(8)30-19-18(29)17(28)16(27)10(5-26)31-19/h1-3,10,16-19,26-29H,5H2/t10-,16-,17+,18+,19+/m1/s1","","2018-03-23","2019-03-15","4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile","2019-03-20"],["EJL","(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid","C24 H32 O3","CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O;CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(=O)O","InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15-","","2020-01-08","2020-02-07","(9~{Z},12~{Z},15~{Z},18~{Z},21~{Z})-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid","2020-02-12"],["EJM","L-norleucine aldehyde","C6 H13 N O","CCCC[CH](N)C=O;CCCCC(C=O)N","InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1","(2S)-2-azanylhexanal; nleu-al","2022-01-11","2024-09-27","(2~{S})-2-azanylhexanal","2023-09-27"],["EJN","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol","C18 H15 F5 O6","OC[CH]1O[CH](Oc2ccc(cc2)c3c(F)c(F)c(F)c(F)c3F)[CH](O)[CH](O)[CH]1O;c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H15F5O6/c19-10-9(11(20)13(22)14(23)12(10)21)6-1-3-7(4-2-6)28-18-17(27)16(26)15(25)8(5-24)29-18/h1-4,8,15-18,24-27H,5H2/t8-,15-,16+,17+,18+/m1/s1","","2018-03-23","2019-03-15","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol","2019-03-20"],["EJO","7-(diethylamino)chromen-2-one","C13 H15 N O2","CCN(CC)c1ccc2C=CC(=O)Oc2c1;CCN(CC)c1ccc2c(c1)OC(=O)C=C2","InChI=1S/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3","","2020-01-08","2020-02-07","7-(diethylamino)chromen-2-one","2020-02-12"],["EJP","(3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile","C24 H20 Cl N5 O3","N#Cc2ccc1N(C(C(COc1c2)N3C(c5c(CC3)c(n(Cc4ccccc4)n5)Cl)=O)=O)C;CN1C(=O)[CH](COc2cc(ccc12)C#N)N3CCc4c(Cl)n(Cc5ccccc5)nc4C3=O;CN1c2ccc(cc2OCC(C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N","InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1","","2018-01-14","2018-03-16","(3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile","2018-03-21"],["EJQ","~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide","C12 H15 F N2 O","Fc1ccc(NC(=O)CN2CCCC2)cc1;c1cc(ccc1NC(=O)CN2CCCC2)F","InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)","","2018-03-23","2019-04-05","~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide","2019-04-10"],["EJR","N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","C20 H17 F N6 O","Cc1ncccc1c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25;Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F","InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)","","2020-01-08","2021-05-07","~{N}-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","2021-05-12"],["EJS","(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide","C25 H25 F N8 O5","O=C(C1C(NC(=O)NC1c3cc(C(NCc2onc(n2)COC)=O)c(F)cc3)C)Nc4ccc5c(c4)cnn5;COCc1noc(CNC(=O)c2cc(ccc2F)[CH]3NC(=O)N[CH](C)[CH]3C(=O)Nc4ccc5n[nH]cc5c4)n1;CC1C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5","InChI=1S/C25H25FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,12,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)/t12-,21+,22-/m0/s1","","2018-01-14","2018-04-20","(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide","2018-04-25"],["EJT","1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE","C27 H41 N5 O14","O=C(NCCCOC1OC(CO)C(O)C(O)C1O)c2cc(cc(c2)C/N=[N+]=[N-])C(=O)NCCCOC3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH](OCCCNC(=O)c2cc(CN=[N+]=[N-])cc(c2)C(=O)NCCCO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]1O;c1c(cc(cc1C(=O)NCCCOC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCOC3C(C(C(C(O3)CO)O)O)O)CN=[N+]=[N-]","InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1","","1999-07-08","2011-06-04","5-(azidomethyl)-N,N'-bis[3-(alpha-D-mannopyranosyloxy)propyl]benzene-1,3-dicarboxamide",""],["EJU","8-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine","C23 H25 N5 O","COc1ccccc1CNc2ccc(c3ccc(CN(C)C)cc3)c4nncn24;CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC","InChI=1S/C23H25N5O/c1-27(2)15-17-8-10-18(11-9-17)20-12-13-22(28-16-25-26-23(20)28)24-14-19-6-4-5-7-21(19)29-3/h4-13,16,24H,14-15H2,1-3H3","","2020-01-08","2021-07-02","8-[4-[(dimethylamino)methyl]phenyl]-~{N}-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine","2021-07-07"],["EJV","4-heptylbenzoic acid","C14 H20 O2","c1cc(ccc1C(O)=O)CCCCCCC;CCCCCCCc1ccc(cc1)C(O)=O;CCCCCCCc1ccc(cc1)C(=O)O","InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)","","2018-01-15","2019-01-11","4-heptylbenzoic acid","2019-01-16"],["EJW","(3-phenyl-1,2-oxazol-5-yl)methylazanium","C10 H11 N2 O","[NH3+]Cc1onc(c1)c2ccccc2;c1ccc(cc1)c2cc(on2)C[NH3+]","InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2/p+1","","2018-03-23","2019-04-05","(3-phenyl-1,2-oxazol-5-yl)methylazanium","2019-04-10"],["EJY","2-benzyl-5-nitro-1H-benzimidazole","C14 H11 N3 O2","c1(cc2c(cc1)nc(n2)Cc3ccccc3)[N+](=O)[O-];[O-][N+](=O)c1ccc2[nH]c(Cc3ccccc3)nc2c1;c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-]","InChI=1S/C14H11N3O2/c18-17(19)11-6-7-12-13(9-11)16-14(15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)","","2018-01-16","2018-03-16","2-benzyl-5-nitro-1H-benzimidazole","2018-03-21"],["EJZ","5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C5 H3 N3 O6","O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O;OC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O;C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]","InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)","5 Nitroorotic Acid","2010-04-12","2020-06-17","5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",""],["EK0","3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole","C13 H13 Cl N2","Clc3ccc(c1nnc2c1CCCC2)cc3;Clc1ccc(cc1)c2n[nH]c3CCCCc23;c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl","InChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16)","","2012-08-10","2012-09-14","3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole","2012-09-14"],["EK1","(2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid","C31 H31 N3 O4","O=C(O)C(Cc1ccccc1)Cc2cc(c(OCCC)cc2)CNC(=O)c4ccc(c3ncccn3)cc4;CCCOc1ccc(C[CH](Cc2ccccc2)C(O)=O)cc1CNC(=O)c3ccc(cc3)c4ncccn4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)CC(Cc4ccccc4)C(=O)O","InChI=1S/C31H31N3O4/c1-2-17-38-28-14-9-23(19-26(31(36)37)18-22-7-4-3-5-8-22)20-27(28)21-34-30(35)25-12-10-24(11-13-25)29-32-15-6-16-33-29/h3-16,20,26H,2,17-19,21H2,1H3,(H,34,35)(H,36,37)/t26-/m1/s1","","2012-05-10","2013-04-26","(2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid","2013-05-01"],["EK2","{4-[4-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl}(morpholin-4-yl)methanone","C18 H16 Cl2 N4 O2","O=C(c3cc(c2c(c1cc(Cl)cc(Cl)c1)cnn2)cn3)N4CCOCC4;Clc1cc(Cl)cc(c1)c2cn[nH]c2c3c[nH]c(c3)C(=O)N4CCOCC4;c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4","InChI=1S/C18H16Cl2N4O2/c19-13-5-11(6-14(20)8-13)15-10-22-23-17(15)12-7-16(21-9-12)18(25)24-1-3-26-4-2-24/h5-10,21H,1-4H2,(H,22,23)","","2012-07-06","2012-08-17","{4-[4-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl}(morpholin-4-yl)methanone",""],["0UO","4-methoxy-L-tryptophan","C12 H14 N2 O3","O=C(O)C(N)Cc2c1c(cccc1OC)nc2;COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12;COc1cccc2c1c(c[nH]2)CC(C(=O)O)N","InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1","","2012-06-20","2024-09-27","4-methoxy-L-tryptophan","2012-09-21"],["EK3","N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine","C20 H21 F N4","Fc4ccc(c1nncc1c3ccnc(NC2CCCCC2)c3)cc4;Fc1ccc(cc1)c2n[nH]cc2c3ccnc(NC4CCCCC4)c3;c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F","InChI=1S/C20H21FN4/c21-16-8-6-14(7-9-16)20-18(13-23-25-20)15-10-11-22-19(12-15)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,22,24)(H,23,25)","","2012-07-06","2012-08-17","N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine",""],["0UP","4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol","C24 H32 F N3 O4 S","Fc4cccc(N3C1(CCN(C(C)C1)Cc2ccc(O)c(OC(C)C)c2)CN(C)S3(=O)=O)c4;CC(C)Oc1cc(CN2CC[C]3(C[CH]2C)CN(C)[S](=O)(=O)N3c4cccc(F)c4)ccc1O;CC1CC2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C","InChI=1S/C24H32FN3O4S/c1-17(2)32-23-12-19(8-9-22(23)29)15-27-11-10-24(14-18(27)3)16-26(4)33(30,31)28(24)21-7-5-6-20(25)13-21/h5-9,12-13,17-18,29H,10-11,14-16H2,1-4H3/t18-,24+/m0/s1","","2012-06-21","2012-09-28","4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol","2012-09-28"],["EK4","N-[(1S)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-1H-pyrrole-2-carboxamide","C23 H19 F3 N4 O2","FC(F)(F)c1cccc(c1)c4c(c3cc(C(=O)NC(c2ccccc2)CO)nc3)nnc4;OC[CH](NC(=O)c1[nH]cc(c1)c2[nH]ncc2c3cccc(c3)C(F)(F)F)c4ccccc4;c1ccc(cc1)C(CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F","InChI=1S/C23H19F3N4O2/c24-23(25,26)17-8-4-7-15(9-17)18-12-28-30-21(18)16-10-19(27-11-16)22(32)29-20(13-31)14-5-2-1-3-6-14/h1-12,20,27,31H,13H2,(H,28,30)(H,29,32)/t20-/m1/s1","","2012-07-06","2012-08-17","N-[(1S)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-1H-pyrrole-2-carboxamide",""],["EK5","4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide","C23 H19 Cl N4 O2","Clc1cccc(c1)c2cnnc2c3cc(nc3)C(=O)NCc5cc4c(OCC4)cc5;Clc1cccc(c1)c2cn[nH]c2c3c[nH]c(c3)C(=O)NCc4ccc5OCCc5c4;c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5","InChI=1S/C23H19ClN4O2/c24-18-3-1-2-15(9-18)19-13-27-28-22(19)17-10-20(25-12-17)23(29)26-11-14-4-5-21-16(8-14)6-7-30-21/h1-5,8-10,12-13,25H,6-7,11H2,(H,26,29)(H,27,28)","","2012-07-06","2012-08-24","4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide","2012-08-24"],["0UQ","(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide","C24 H32 F N3 O3 S","Fc4cccc(N3C1(CCN(C(C)C1)Cc2cccc(OC(C)C)c2)CN(C)S3(=O)=O)c4;CC(C)Oc1cccc(CN2CC[C]3(C[CH]2C)CN(C)[S](=O)(=O)N3c4cccc(F)c4)c1;CC1CC2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C","InChI=1S/C24H32FN3O3S/c1-18(2)31-23-10-5-7-20(13-23)16-27-12-11-24(15-19(27)3)17-26(4)32(29,30)28(24)22-9-6-8-21(25)14-22/h5-10,13-14,18-19H,11-12,15-17H2,1-4H3/t19-,24+/m0/s1","","2012-06-21","2012-09-28","(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide","2012-09-28"],["0UR","Siphonein","C52 H76 O5","CCCCCCCCCC=CC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]1C(=C[CH](O)CC1(C)C)C)C(=O)CC2=C(C)C[CH](O)CC2(C)C;CCCCCCCCCC=CC(=O)OCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CC(CC1(C)C)O)C)C)C(=O)CC2=C(CC(CC2(C)C)O)C","InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19-,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1","","2022-01-21","2022-11-18","[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-6,11,15-trimethyl-17-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-2-[2-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]ethanoyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] (~{Z})-dodec-2-enoate","2022-11-23"],["EK6","ethyl N-{2-chloro-4-[5-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}glycinate","C27 H26 Cl2 F N5 O4","Fc1ccc(cc1Cl)C(NC(=O)c4cc(c3c(c2cc(Cl)c(cc2)CNCC(=O)OCC)cnn3)cn4)CO;CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3c[nH]c(c3)C(=O)N[CH](CO)c4ccc(F)c(Cl)c4;CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NC(CO)c4ccc(c(c4)Cl)F","InChI=1S/C27H26Cl2FN5O4/c1-2-39-25(37)13-31-10-17-4-3-15(7-20(17)28)19-12-33-35-26(19)18-9-23(32-11-18)27(38)34-24(14-36)16-5-6-22(30)21(29)8-16/h3-9,11-12,24,31-32,36H,2,10,13-14H2,1H3,(H,33,35)(H,34,38)/t24-/m1/s1","","2012-07-06","2012-08-24","ethyl N-{2-chloro-4-[5-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}glycinate","2012-08-24"],["EK7","9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile","C19 H17 N5 O S","N#Cc3sc(c2c1nc(ncc1CCc23)Nc4cccc(O)c4)N(C)C;CN(C)c1sc(C#N)c2CCc3cnc(Nc4cccc(O)c4)nc3c12;CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O","InChI=1S/C19H17N5OS/c1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12/h3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23)","","2012-07-06","2012-08-24","9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile","2012-08-24"],["0US","N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide","C30 H39 N5 O4 S","O=S(=O)(NC/C=C)c1cccc(c1)C(=O)Nc2nc4cc(ccc4n2C3CCC(CO)CC3)CN5CCCCC5;OC[CH]1CC[CH](CC1)n2c(NC(=O)c3cccc(c3)[S](=O)(=O)NCC=C)nc4cc(CN5CCCCC5)ccc24;C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5","InChI=1S/C30H39N5O4S/c1-2-15-31-40(38,39)26-8-6-7-24(19-26)29(37)33-30-32-27-18-23(20-34-16-4-3-5-17-34)11-14-28(27)35(30)25-12-9-22(21-36)10-13-25/h2,6-8,11,14,18-19,22,25,31,36H,1,3-5,9-10,12-13,15-17,20-21H2,(H,32,33,37)/t22-,25+","","2012-06-22","2012-07-06","N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide",""],["EK8","(2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid","C32 H38 N2 O4","O=C(O)C(Cc1ccccc1)Cc2cc(c(OCCC)cc2)CNC(=O)c3ccc(cc3)N4CCCCC4;CCCOc1ccc(C[CH](Cc2ccccc2)C(O)=O)cc1CNC(=O)c3ccc(cc3)N4CCCCC4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)CC(Cc4ccccc4)C(=O)O","InChI=1S/C32H38N2O4/c1-2-19-38-30-16-11-25(21-27(32(36)37)20-24-9-5-3-6-10-24)22-28(30)23-33-31(35)26-12-14-29(15-13-26)34-17-7-4-8-18-34/h3,5-6,9-16,22,27H,2,4,7-8,17-21,23H2,1H3,(H,33,35)(H,36,37)/t27-/m1/s1","","2012-05-10","2013-04-26","(2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid","2013-05-01"],["0UT","hydroxy(diphenyl)acetic acid","C14 H12 O3","O=C(O)C(O)(c1ccccc1)c2ccccc2;OC(=O)C(O)(c1ccccc1)c2ccccc2;c1ccc(cc1)C(c2ccccc2)(C(=O)O)O","InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)","Benzillic acid","2012-06-22","2021-03-01","hydroxy(diphenyl)acetic acid","2013-10-30"],["EK9","N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide","C24 H22 N4 O2","O=C(c3cc(c1nc(ncc1C)c2ccccc2)cn3)NC(c4ccccc4)CO;Cc1cnc(nc1c2c[nH]c(c2)C(=O)N[CH](CO)c3ccccc3)c4ccccc4;Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3ccccc3)c4ccccc4","InChI=1S/C24H22N4O2/c1-16-13-26-23(18-10-6-3-7-11-18)28-22(16)19-12-20(25-14-19)24(30)27-21(15-29)17-8-4-2-5-9-17/h2-14,21,25,29H,15H2,1H3,(H,27,30)/t21-/m1/s1","","2012-07-06","2012-08-24","N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide","2012-08-24"],["0UU","methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate","C28 H34 N4 O3","O=C(OC)C5CCC(n2c(nc1ccc(cc12)CN3CCCCC3)NC(=O)c4ccccc4)CC5;COC(=O)[CH]1CC[CH](CC1)n2c(NC(=O)c3ccccc3)nc4ccc(CN5CCCCC5)cc24;COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5","InChI=1S/C28H34N4O3/c1-35-27(34)22-11-13-23(14-12-22)32-25-18-20(19-31-16-6-3-7-17-31)10-15-24(25)29-28(32)30-26(33)21-8-4-2-5-9-21/h2,4-5,8-10,15,18,22-23H,3,6-7,11-14,16-17,19H2,1H3,(H,29,30,33)/t22-,23+","","2012-06-22","2012-07-06","methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate",""],["0UV","4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide","C33 H44 F N5 O3","Fc1ccc(cc1)C(=O)N=C3/Nc2ccc(cc2N3C4CCC(C(=O)NC(C)C)CC4)CN5CCC(CC5)C(O)(C)C;CC(C)NC(=O)[CH]1CC[CH](CC1)N2C(Nc3ccc(CN4CC[CH](CC4)C(C)(C)O)cc23)=NC(=O)c5ccc(F)cc5;CC(C)NC(=O)C1CCC(CC1)N2c3cc(ccc3NC2=NC(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O","InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+","","2012-06-22","2012-07-06","4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide",""],["EKA","[cyclohexyl(hydroxy)amino](oxo)acetic acid","C8 H13 N O4","C(C(N(C1CCCCC1)O)=O)(O)=O;ON(C1CCCCC1)C(=O)C(O)=O;C1CCC(CC1)N(C(=O)C(=O)O)O","InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12)","","2018-01-16","2019-01-11","[cyclohexyl(hydroxy)amino](oxo)acetic acid","2019-01-16"],["0UW","5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C8 H7 N3 O","O=C1NC(=NN1)c1ccccc1;O=C1NN=C(N1)c2ccccc2;c1ccc(cc1)C2=NNC(=O)N2","InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)","","2021-06-16","2021-09-03","5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2021-09-08"],["EKB","6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine","C18 H22 N4 O3","n2c(c(C#CCc1cc(OC)c(OC)c(OC)c1)c(nc2N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(OC)c(OC)c(OC)c2;CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC","InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22)","","2009-09-18","2011-06-04","6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine",""],["EKD","(cyclohexylamino)(oxo)acetic acid","C8 H13 N O3","C(C(NC1CCCCC1)=O)(O)=O;OC(=O)C(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)C(=O)O","InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)","","2018-01-16","2019-01-11","(cyclohexylamino)(oxo)acetic acid","2019-01-16"],["0UX","6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C23 H31 N7 O","O=C2c3cc1nc(nc1c(c3N=C(N)N2)CCNCC46CC5CC(C4)CC(C5)C6)NC;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC45CC6CC(CC(C6)C4)C5)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N","InChI=1S/C23H31N7O/c1-25-22-27-17-7-16-18(28-21(24)30-20(16)31)15(19(17)29-22)2-3-26-11-23-8-12-4-13(9-23)6-14(5-12)10-23/h7,12-14,26H,2-6,8-11H2,1H3,(H2,25,27,29)(H3,24,28,30,31)/t12-,13+,14-,23-","","2012-06-25","2013-07-19","6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-07-24"],["0UZ","(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid","C8 H8 Cl N O3","Clc1cc(ccc1O)C(C(=O)O)N;N[CH](C(O)=O)c1ccc(O)c(Cl)c1;c1cc(c(cc1C(C(=O)O)N)Cl)O","InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1","","2012-06-27","2024-09-27","(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid",""],["EKE","(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACID","C6 H13 N O3","O=C(O)CCC(N)C(O)C;C[CH](O)[CH](N)CCC(O)=O;CC(C(CCC(=O)O)N)O","InChI=1S/C6H13NO3/c1-4(8)5(7)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1","EPISULFIDE METHYLGLUTAMATE","2006-06-14","2011-08-06","(4S,5R)-4-amino-5-hydroxyhexanoic acid",""],["0V0","(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium","C21 H21 N2 O2","O(c3c(ccc(OCC#Cc1cc2c(cc1)ccnc2)c3)C[NH3+])CC;CCOc1cc(OCC#Cc2ccc3ccncc3c2)ccc1C[NH3+];CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2","InChI=1S/C21H20N2O2/c1-2-24-21-13-20(8-7-18(21)14-22)25-11-3-4-16-5-6-17-9-10-23-15-19(17)12-16/h5-10,12-13,15H,2,11,14,22H2,1H3/p+1","","2014-05-21","2014-10-17","(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium","2014-10-22"],["EKF","N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","C23 H24 N6 O","CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25;CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5","InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-18-4-3-5-21-19(18)10-11-30-21/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)","","2020-01-08","2022-04-08","~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","2022-04-13"],["0V1","(2~{S})-butane-1,2,4-triol","C4 H10 O3","OCC[CH](O)CO;C(CO)C(CO)O","InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1","(S)-1,2,4-butanentriol","2021-06-09","2022-06-17","(2~{S})-butane-1,2,4-triol","2022-06-22"],["EKG","(2R)-2,3-dihydroxypropyl hexadecanoate","C19 H38 O4","CCCCCCCCCCCCCCCC(=O)OCC(CO)O;CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCCCCCCCCCC(=O)OCC(CO)O","InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1","","2018-01-17","2018-03-16","(2R)-2,3-dihydroxypropyl hexadecanoate","2018-03-21"],["0V2","6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C33 H35 N7 O","O=C2c3cc1nc(nc1c(c3N=C(N)N2)CCNCC6CCC(C#Cc5ccc(c4ccccc4)cc5)CC6)NC;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNC[CH]4CC[CH](CC4)C#Cc5ccc(cc5)c6ccccc6)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N","InChI=1S/C33H35N7O/c1-35-33-37-28-19-27-29(38-32(34)40-31(27)41)26(30(28)39-33)17-18-36-20-23-11-9-21(10-12-23)7-8-22-13-15-25(16-14-22)24-5-3-2-4-6-24/h2-6,13-16,19,21,23,36H,9-12,17-18,20H2,1H3,(H2,35,37,39)(H3,34,38,40,41)/t21-,23-","","2012-06-27","2013-07-19","6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-07-24"],["EKH"," 5-chlorotubercidin","C11 H13 Cl N4 O4","Nc1ncnc2n(cc(Cl)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)Cl","InChI=1S/C11H13ClN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1","","2018-03-24","2018-04-13","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-chloranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol","2018-04-18"],["0V3","6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C26 H30 N8 O","O=C2c3cc1nc(nc1c(c3N=C(N)N2)CCNCC5CCC(C#Cc4cccnc4)CC5)NC;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNC[CH]4CC[CH](CC4)C#Cc5cccnc5)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N","InChI=1S/C26H30N8O/c1-28-26-31-21-13-20-22(32-25(27)34-24(20)35)19(23(21)33-26)10-12-30-15-18-8-5-16(6-9-18)4-7-17-3-2-11-29-14-17/h2-3,11,13-14,16,18,30H,5-6,8-10,12,15H2,1H3,(H2,28,31,33)(H3,27,32,34,35)/t16-,18-","","2012-06-28","2013-07-19","6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-07-24"],["EKI","7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide","C13 H15 N5 O3","NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1;CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O;CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N","InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)","","2023-03-27","2023-05-26","7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide","2023-05-31"],["0V4","(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside","C27 H44 O8","O(C3C1=C(C(C)C)CCC1(C=C2C(COC)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO;COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C4=C(CC[C]4(C)C=C12)C(C)C;CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C(C(C(O4)CO)O)O)O)C(C)C)C)COC","InChI=1S/C27H44O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h10,13-15,17,19,21-26,28-32H,6-9,11-12H2,1-5H3/b18-10-/t14-,15-,17+,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1","16-O-Me-Fusicoccin H","2012-06-28","2021-03-01","(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside","2013-05-08"],["EKJ","4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium","C23 H25 N3 O2 S","c4(Cc1cc[n+](C)c2ccccc12)[n+](CC(NCCOC)=O)c3c(cccc3)s4;COCCNC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14;C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC","InChI=1S/C23H24N3O2S/c1-25-13-11-17(18-7-3-4-8-19(18)25)15-23-26(16-22(27)24-12-14-28-2)20-9-5-6-10-21(20)29-23/h3-11,13H,12,14-16H2,1-2H3/q+1/p+1","","2018-01-18","2018-08-03","4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium","2018-08-08"],["0V5","(2R)-2-(phosphonooxy)propanoic acid","C3 H7 O6 P","O=P(OC(C(=O)O)C)(O)O;C[CH](O[P](O)(O)=O)C(O)=O;CC(C(=O)O)OP(=O)(O)O","InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1","","2012-06-29","2024-09-27","(2R)-2-(phosphonooxy)propanoic acid",""],["EKK","5-bromotubercidin","C11 H13 Br N4 O4","Nc1ncnc2n(cc(Br)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)Br","InChI=1S/C11H13BrN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1","","2018-03-24","2018-04-13","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-bromanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol","2018-04-18"],["0V6","(2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one","C18 H17 Cl N4 O S","O=C3N(C(=[N@H])NC(c1sc(cc1Cl)c2cc(C#CC)cnc2)(C)C3)C;CC#Cc1cncc(c1)c2sc(c(Cl)c2)[C]3(C)CC(=O)N(C)C(=N)N3;CC#Cc1cc(cnc1)c2cc(c(s2)C3(CC(=O)N(C(=N)N3)C)C)Cl","InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1","","2012-06-29","2012-11-15","(2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one",""],["EKL","6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide","C28 H30 N2 O4 S","CCn1c2ccc(OC3CCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC;CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC","InChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31)","","2020-01-08","2021-01-01","6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide","2021-01-06"],["0V7","2-[(3-fluorobenzyl)amino]ethanesulfonic acid","C9 H12 F N O3 S","Fc1cc(ccc1)CNCCS(=O)(=O)O;O[S](=O)(=O)CCNCc1cccc(F)c1;c1cc(cc(c1)F)CNCCS(=O)(=O)O","InChI=1S/C9H12FNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14)","","2012-07-02","2012-10-26","2-[(3-fluorobenzyl)amino]ethanesulfonic acid","2012-10-26"],["EKM","1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium","C21 H20 N2 S","C[n+]4ccc([C@H]=[C@H]Cc2sc1ccccc1[n+]2C)c3c4cccc3;C[n+]1ccc(C=CCc2sc3ccccc3[n+]2C)c4ccccc14;C[n+]1ccc(c2c1cccc2)C=CCc3[n+](c4ccccc4s3)C","InChI=1S/C21H20N2S/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-12,14-15H,13H2,1-2H3/q+2/b8-7+","","2018-01-18","2018-08-03","1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium","2018-08-08"],["0V8","2-[(3-bromobenzyl)amino]ethanesulfonic acid","C9 H12 Br N O3 S","Brc1cc(ccc1)CNCCS(=O)(=O)O;O[S](=O)(=O)CCNCc1cccc(Br)c1;c1cc(cc(c1)Br)CNCCS(=O)(=O)O","InChI=1S/C9H12BrNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14)","","2012-07-02","2012-10-26","2-[(3-bromobenzyl)amino]ethanesulfonic acid","2012-10-26"],["EKN","(2~{S})-2-(2-azanylethylamino)butanedioic acid","C6 H12 N2 O4","NCCN[CH](CC(O)=O)C(O)=O;C(CNC(CC(=O)O)C(=O)O)N","InChI=1S/C6H12N2O4/c7-1-2-8-4(6(11)12)3-5(9)10/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1","","2018-03-26","2018-05-11","(2~{S})-2-(2-azanylethylamino)butanedioic acid","2018-05-16"],["0V9","(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate","C37 H72 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1","","2012-07-05","2022-02-25","(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate","2022-03-02"],["EKO","4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","C18 H15 Cl3 N2 O","Clc1ccc(CO[CH](Cc2c[nH]cn2)c3ccc(Cl)cc3Cl)cc1;c1cc(ccc1COC(Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl","InChI=1S/C18H15Cl3N2O/c19-13-3-1-12(2-4-13)10-24-18(8-15-9-22-11-23-15)16-6-5-14(20)7-17(16)21/h1-7,9,11,18H,8,10H2,(H,22,23)/t18-/m1/s1","","2009-09-02","2011-06-04","4-[(2R)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole",""],["0VA","N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide","C20 H19 Cl2 N5 O2 S","Clc1cc(cc(Cl)c1N)CNC(=[N@H])NC(=O)c3c(snc3c2ccc(OC)cc2)C;COc1ccc(cc1)c2nsc(C)c2C(=O)NC(=N)NCc3cc(Cl)c(N)c(Cl)c3;Cc1c(c(ns1)c2ccc(cc2)OC)C(=O)NC(=N)NCc3cc(c(c(c3)Cl)N)Cl","InChI=1S/C20H19Cl2N5O2S/c1-10-16(18(27-30-10)12-3-5-13(29-2)6-4-12)19(28)26-20(24)25-9-11-7-14(21)17(23)15(22)8-11/h3-8H,9,23H2,1-2H3,(H3,24,25,26,28)","","2012-07-06","2012-10-05","N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide","2012-10-05"],["EKP","2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid","C33 H36 N2 O3","C(C)(c2cccc(C1CC1)c2)NC(=O)c3cc4c(cc3)n(c(c4C)C)Cc5ccc(cc5)C(C)(C)C(=O)O;C[CH](NC(=O)c1ccc2n(Cc3ccc(cc3)C(C)(C)C(O)=O)c(C)c(C)c2c1)c4cccc(c4)C5CC5;Cc1c(n(c2c1cc(cc2)C(=O)NC(C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C","InChI=1S/C33H36N2O3/c1-20-22(3)35(19-23-9-14-28(15-10-23)33(4,5)32(37)38)30-16-13-27(18-29(20)30)31(36)34-21(2)25-7-6-8-26(17-25)24-11-12-24/h6-10,13-18,21,24H,11-12,19H2,1-5H3,(H,34,36)(H,37,38)/t21-/m1/s1","","2018-01-18","2018-07-27","2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid","2018-08-01"],["0VB","N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide","C23 H24 Cl N5 O3 S","O=C(Nc1c(cc(cc1Cl)CNC(=[N@H])NC(=O)c3c(snc3c2ccc(OC)cc2)C)C)C;COc1ccc(cc1)c2nsc(C)c2C(=O)NC(=N)NCc3cc(C)c(NC(C)=O)c(Cl)c3;Cc1cc(cc(c1NC(=O)C)Cl)CNC(=N)NC(=O)c2c(snc2c3ccc(cc3)OC)C","InChI=1S/C23H24ClN5O3S/c1-12-9-15(10-18(24)20(12)27-14(3)30)11-26-23(25)28-22(31)19-13(2)33-29-21(19)16-5-7-17(32-4)8-6-16/h5-10H,11H2,1-4H3,(H,27,30)(H3,25,26,28,31)","","2012-07-06","2012-10-05","N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide","2012-10-05"],["EKQ","(2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid","C10 H16 N2 O8","OC(=O)C[CH](NCCN[CH](CC(O)=O)C(O)=O)C(O)=O;C(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O","InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1","","2018-03-26","2018-05-11","(2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid","2018-05-16"],["0VC","3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine","C15 H22 N2 O2","n2cc(OCC1NCC1)cc(c2)C3CC3CCOC;COCC[CH]1C[CH]1c2cncc(OC[CH]3CCN3)c2;COCCC1CC1c2cc(cnc2)OCC3CCN3","InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1","","2012-07-06","2013-10-11","3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine","2013-10-16"],["EKR","N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","C23 H24 N6 O","CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4CCOc34)n5cnnc25;CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5","InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-19-5-3-4-18-10-11-30-21(18)19/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)","","2020-01-08","2022-04-08","~{N}-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine","2022-04-13"],["0VD","(3S)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)butan-2-one","C20 H21 N3 O2","O=C(C(N)Cc1ncnc1)Cc3ccc(OCc2ccccc2)cc3;N[CH](Cc1c[nH]cn1)C(=O)Cc2ccc(OCc3ccccc3)cc2;c1ccc(cc1)COc2ccc(cc2)CC(=O)C(Cc3c[nH]cn3)N","InChI=1S/C20H21N3O2/c21-19(11-17-12-22-14-23-17)20(24)10-15-6-8-18(9-7-15)25-13-16-4-2-1-3-5-16/h1-9,12,14,19H,10-11,13,21H2,(H,22,23)/t19-/m0/s1","","2012-07-10","2013-09-27","(3S)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)butan-2-one","2013-10-02"],["EKS","2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid","C34 H40 N2 O4","Cc3c2c(ccc(C(=O)NC(c1ccc(cc1)C(C)(C)C)C)c2)n(c3C)Cc4cccc(c4)OC(C(O)=O)(C)C;C[CH](NC(=O)c1ccc2n(Cc3cccc(OC(C)(C)C(O)=O)c3)c(C)c(C)c2c1)c4ccc(cc4)C(C)(C)C;Cc1c(n(c2c1cc(cc2)C(=O)NC(C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C","InChI=1S/C34H40N2O4/c1-21-23(3)36(20-24-10-9-11-28(18-24)40-34(7,8)32(38)39)30-17-14-26(19-29(21)30)31(37)35-22(2)25-12-15-27(16-13-25)33(4,5)6/h9-19,22H,20H2,1-8H3,(H,35,37)(H,38,39)/t22-/m0/s1","","2018-01-18","2018-07-27","2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid","2018-08-01"],["0VE","3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol","C22 H23 N5 O2","n1c(c3nccn3c(c1)c2cccc(O)c2)Nc4ccc(N(CC)CCO)cc4;CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1;CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O","InChI=1S/C22H23N5O2/c1-2-26(12-13-28)18-8-6-17(7-9-18)25-21-22-23-10-11-27(22)20(15-24-21)16-4-3-5-19(29)14-16/h3-11,14-15,28-29H,2,12-13H2,1H3,(H,24,25)","","2012-07-10","2013-01-25","3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol","2013-01-25"],["EKT","2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one","C20 H25 F2 N5 O2","CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1(C)C;CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C","InChI=1S/C20H25F2N5O2/c1-11(2)6-7-27-17-15(26(5)18(29)20(27,3)4)10-23-19(25-17)24-12-8-13(21)16(28)14(22)9-12/h8-11,28H,6-7H2,1-5H3,(H,23,24,25)","","2018-03-26","2019-03-22","2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one","2019-03-27"],["0VF","4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid","C25 H24 N6 O5 S","O=C(O)c1ccc(cc1)C(=O)NC5CCN(c2nc(c3ncsc3n2)Nc4ccc(OC)c(OC)c4)C5;COc1ccc(Nc2nc(nc3scnc23)N4CC[CH](C4)NC(=O)c5ccc(cc5)C(O)=O)cc1OC;COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CCC(C4)NC(=O)c5ccc(cc5)C(=O)O)scn3","InChI=1S/C25H24N6O5S/c1-35-18-8-7-16(11-19(18)36-2)27-21-20-23(37-13-26-20)30-25(29-21)31-10-9-17(12-31)28-22(32)14-3-5-15(6-4-14)24(33)34/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,28,32)(H,33,34)(H,27,29,30)/t17-/m0/s1","","2012-07-10","2013-01-25","4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid","2013-01-25"],["EKU","1,3,5,8-tetrakis(oxidanyl)xanthen-9-one","C13 H8 O6","Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1;c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H","","2020-01-08","2021-10-01","1,3,5,8-tetrakis(oxidanyl)xanthen-9-one","2021-10-06"],["0VG","N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine","C22 H22 N6","n1ccn2nc(cc(c12)Nc4nc(N3C(C)CCC3)ccc4)c5ccccc5;C[CH]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2;CC1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5","InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1","","2012-07-12","2013-01-25","N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine","2013-01-25"],["EKV","N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine","C28 H37 N O2 Si","CC(C#CC#CCN(Cc1cc(ccc1)OC[Si](c2ccccc2C)(C)C)CC)(OC)C;CCN(CC#CC#CC(C)(C)OC)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1;CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C","InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3","","2018-01-19","2019-01-11","N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine","2019-01-16"],["0VH","6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide","C18 H25 N7 O","O=C(c2nnc(cc2Nc1nc(ccc1)CC)NC3CCCCC3N)N;CCc1cccc(Nc2cc(N[CH]3CCCC[CH]3N)nnc2C(N)=O)n1;CCc1cccc(n1)Nc2cc(nnc2C(=O)N)NC3CCCCC3N","InChI=1S/C18H25N7O/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1","","2012-07-12","2013-07-05","6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide","2013-07-10"],["EKX","(1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid","C14 H17 N O3 S","C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O;CC(CS)C(=O)N1CCc2ccccc2C1C(=O)O","InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1","","2020-01-09","2020-12-11","(1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid","2020-12-16"],["0VI","7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine","C23 H26 Br F6 N5 O2","COc1cc(Br)cc(OC)c1c2c(C)nn3c(nc(C)nc23)N(CCCC(F)(F)F)CCCC(F)(F)F;Cc1c(c2nc(nc(n2n1)N(CCCC(F)(F)F)CCCC(F)(F)F)C)c3c(cc(cc3OC)Br)OC","InChI=1S/C23H26BrF6N5O2/c1-13-18(19-16(36-3)11-15(24)12-17(19)37-4)20-31-14(2)32-21(35(20)33-13)34(9-5-7-22(25,26)27)10-6-8-23(28,29)30/h11-12H,5-10H2,1-4H3","","2021-06-16","2026-04-20","8-(4-bromanyl-2,6-dimethoxy-phenyl)-2,7-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine","2023-09-13"],["EKY","2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline","C21 H19 F2 N O3","Fc1cc(COc2ccc(cc2)Oc2ccc(cc2N)OCC)c(F)cc1;CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1;CCOc1ccc(c(c1)N)Oc2ccc(cc2)OCc3cc(ccc3F)F","InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3","","2023-04-26","2023-12-29","2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline","2024-01-03"],["0VJ","2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione","C18 H14 O4","O=C2c1c(cccc1)C(=O)C(O)=C2Cc3ccc(OC)cc3;COc1ccc(CC2=C(O)C(=O)c3ccccc3C2=O)cc1;COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O","InChI=1S/C18H14O4/c1-22-12-8-6-11(7-9-12)10-15-16(19)13-4-2-3-5-14(13)17(20)18(15)21/h2-9,21H,10H2,1H3","","2012-07-12","2013-05-17","2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione","2013-05-22"],["EKZ","4-tert-butylbenzene-1,2-diol","C10 H14 O2","Oc1ccc(cc1O)C(C)(C)C;CC(C)(C)c1ccc(O)c(O)c1;CC(C)(C)c1ccc(c(c1)O)O","InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3","4-tert-Butylcatechol (CAS 98-29-3)","2013-05-21","2024-09-27","4-tert-butylbenzene-1,2-diol","2014-04-23"],["0VK","3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol","C30 H38 O4","O(c1cc(c(cc1)C)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO;CCCc1cc(ccc1c2cc(OCc3ccc(CO)c(CO)c3)ccc2C)C(O)(CC)CC;CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O","InChI=1S/C30H38O4/c1-5-8-23-16-26(30(33,6-2)7-3)12-14-28(23)29-17-27(13-9-21(29)4)34-20-22-10-11-24(18-31)25(15-22)19-32/h9-17,31-33H,5-8,18-20H2,1-4H3","","2012-07-12","2012-09-21","3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol","2012-09-21"],["EL","ELLIPTICINE","C17 H15 N2","c1cccc4c1c2c(c(c3c(c2C)c[nH+]cc3)C)n4;Cc1c2[nH]c3ccccc3c2c(C)c4c[nH+]ccc14;Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C","InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3/p+1","","1999-07-08","2011-06-04","5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium",""],["0VL","benzyl {2-[(5S)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamate","C23 H25 N5 O5","OC1=C(N=C(NC1=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)NCCc1ccncc1;CC(C)(NC(=O)OCc1ccccc1)C2=NC(=C(O)C(=O)N2)C(=O)NCCc3ccncc3;CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccncc2)NC(=O)OCc3ccccc3","InChI=1S/C23H25N5O5/c1-23(2,28-22(32)33-14-16-6-4-3-5-7-16)21-26-17(18(29)20(31)27-21)19(30)25-13-10-15-8-11-24-12-9-15/h3-9,11-12,29H,10,13-14H2,1-2H3,(H,25,30)(H,28,32)(H,26,27,31)","","2021-06-17","2022-06-03","benzyl [2-(5-hydroxy-6-oxo-4-{[2-(pyridin-4-yl)ethyl]carbamoyl}-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate","2022-06-08"],["EL0","(6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one","C29 H32 Cl N5 O5 S","COc1ccc(cc1Cl)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCN(C4)S(=O)(=O)C)C5CCCC(=O)N5c6ccc(c(c6)Cl)OC","InChI=1S/C29H32ClN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1","","2022-04-21","2022-07-22","(6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one","2022-07-27"],["0VM","2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1H-benzimidazole-6-carbonitrile","C20 H12 F3 N5 O","FC(F)(F)c4cccnc4Oc1ccc(cc1)Nc3nc2ccc(C#N)cc2n3;FC(F)(F)c1cccnc1Oc2ccc(Nc3[nH]c4cc(ccc4n3)C#N)cc2;c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F","InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)","","2012-07-13","2013-05-17","2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1H-benzimidazole-6-carbonitrile","2013-05-22"],["EL1","3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide","C24 H24 Br N3 O5 S2","CNC(=O)c1ccc(cc1OC2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(C)=O;CNC(=O)c1ccc(cc1O[CH]2CCN(C2)C(=O)c3sc(Br)cc3)c4ccccc4N[S](C)(=O)=O;CNC(=O)c1ccc(cc1OC2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C","InChI=1S/C24H24BrN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1","","2015-07-23","2015-08-07","3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide","2015-08-12"],["0VN","2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrile","C18 H18 N4","N#Cc2ccc3nc(Nc1ccc(cc1)C(C)(C)C)nc3c2;CC(C)(C)c1ccc(Nc2[nH]c3cc(ccc3n2)C#N)cc1;CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N","InChI=1S/C18H18N4/c1-18(2,3)13-5-7-14(8-6-13)20-17-21-15-9-4-12(11-19)10-16(15)22-17/h4-10H,1-3H3,(H2,20,21,22)","","2012-07-13","2013-05-17","2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrile","2013-05-22"],["EL2","1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide","C25 H24 Br N5 O2 S","CNC(c4ccc3n(C1CCCC(C1)NC(=O)c2ccc(s2)Br)c(nc3c4)c5ccccn5)=O;CNC(=O)c1ccc2n([CH]3CCC[CH](C3)NC(=O)c4sc(Br)cc4)c(nc2c1)c5ccccn5;CNC(=O)c1ccc2c(c1)nc(n2C3CCCC(C3)NC(=O)c4ccc(s4)Br)c5ccccn5","InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1","","2016-01-18","2016-04-29","1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide","2016-05-04"],["0VO","(4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol","C26 H34 O4","O(c1cc(ccc1)/C(=CC=CC(O)(CC)CC)CC)Cc2ccc(c(c2)CO)CO;CCC(=CC=CC(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1;CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO","InChI=1S/C26H34O4/c1-4-21(10-8-14-26(29,5-2)6-3)22-9-7-11-25(16-22)30-19-20-12-13-23(17-27)24(15-20)18-28/h7-16,27-29H,4-6,17-19H2,1-3H3/b14-8?,21-10-","","2012-07-13","2012-09-21","(4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol","2012-09-21"],["EL3","(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene","C15 H24","C3(=C1CCC(C12CCC(C2)C3(C)C)C)C;C[CH]1CCC2=C(C)C(C)(C)[CH]3CC[C]12C3;CC1CCC2=C(C(C3CCC12C3)(C)C)C","InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1","2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en","2008-09-22","2020-06-17","(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene",""],["0VP","3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol","C31 H40 O4","O(c1cc(c(cc1)CC)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO;CCCc1cc(ccc1c2cc(OCc3ccc(CO)c(CO)c3)ccc2CC)C(O)(CC)CC;CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O","InChI=1S/C31H40O4/c1-5-9-24-17-27(31(34,7-3)8-4)13-15-29(24)30-18-28(14-12-23(30)6-2)35-21-22-10-11-25(19-32)26(16-22)20-33/h10-18,32-34H,5-9,19-21H2,1-4H3","","2012-07-13","2012-09-21","3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol","2012-09-21"],["EL5","3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","CC=C1C(=C/C2=N/C(=Cc3[NH]c(/C=C4/NC(=O)C(C=C)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)/NC(=O)C1C;CC=C1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;CC=C1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13+,27-14-,29-15-/t19-/m0/s1","biliverdin, bound form at Pfr state","2018-03-26","2024-09-27","3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid","2018-11-28"],["0VQ","(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol","C25 H26 F6 O3","FC(F)(F)C(O)(/C=C/C=C(/c1cccc(c1)CCc2cc(c(cc2)CO)CO)CC)C(F)(F)F;CCC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(CCc2ccc(CO)c(CO)c2)c1;CCC(=CC=CC(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)CCc2ccc(c(c2)CO)CO","InChI=1S/C25H26F6O3/c1-2-19(7-4-12-23(34,24(26,27)28)25(29,30)31)20-6-3-5-17(13-20)8-9-18-10-11-21(15-32)22(14-18)16-33/h3-7,10-14,32-34H,2,8-9,15-16H2,1H3/b12-4+,19-7+","","2012-07-13","2012-09-21","(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol","2012-09-21"],["EL6","[(2S)-2-octadecanoyloxypropyl] octadecanoate","C39 H76 O4","CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1","","2020-01-10","2020-10-30","[(2~{S})-2-octadecanoyloxypropyl] octadecanoate","2020-11-04"],["0VR","1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate","C12 H18 N O9 P","O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O;O[CH](CNc1ccccc1C(O)=O)[CH](O)[CH](O)CO[P](O)(O)=O;c1ccc(c(c1)C(=O)O)NCC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11-/m0/s1","1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol","2012-07-13","2020-06-17","1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol","2012-11-30"],["EL7","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)","C43 H76 N2 O10","OC2C(C(OC(OCC(NC(CCCCCCCCCCCCCCCC)=O)C(O)C(O)CCCC(NCCCCCCc1ccccc1)=O)C2O)CO)O;CCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2;CCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O","InChI=1S/C43H76N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-38(49)45-34(32-54-43-42(53)41(52)40(51)36(31-46)55-43)39(50)35(47)27-23-29-37(48)44-30-22-16-15-18-24-33-25-19-17-20-26-33/h17,19-20,25-26,34-36,39-43,46-47,50-53H,2-16,18,21-24,27-32H2,1H3,(H,44,48)(H,45,49)/t34-,35+,36+,39-,40-,41-,42+,43-/m0/s1","aGSA[16,6P]","2018-01-19","2021-03-13","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)","2019-01-30"],["0VS","L-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine","C21 H23 N3 O8 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC2=C(C(=O)c1c(cccc1)C2=O)C;CC1=C(SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C21H23N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1","","2012-07-13","2012-09-07","L-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine","2012-09-07"],["EL8","(6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide","C18 H20 F3 N3 O5","C[CH](CCCCC(=O)NO)NC1=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)C1=O;CC(CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F","InChI=1S/C18H20F3N3O5/c1-10(4-2-3-5-13(25)24-28)22-14-15(17(27)16(14)26)23-11-6-8-12(9-7-11)29-18(19,20)21/h6-10,22-23,28H,2-5H2,1H3,(H,24,25)/t10-/m1/s1","","2018-03-26","2018-06-22","(6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide","2018-06-27"],["0VT","6-methylhept-5-en-2-one","C8 H14 O","O=C(C)CCC=C(/C)C;CC(C)=CCCC(C)=O;CC(=CCCC(=O)C)C","InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3","6-methyl-5-hepten-2-one","2012-07-13","2021-03-01","6-methylhept-5-en-2-one","2012-12-28"],["EL9","cyclometalated-carbene platinum(II) complex","C20 H15 F2 N4 Pt","CN1CN(C=C1)c2ccccn2.Fc3cc(F)c(c([Pt])c3)c4ccccn4;CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6","InChI=1S/C11H6F2N.C9H10N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-8H,1H3;","","2020-01-10","2021-01-08","","2021-01-13"],["0VU","4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide","C22 H23 N5 O3 S","O=C(c3cccc(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)N)c3)N4CCCCC4;N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cccc(c3)C(=O)N4CCCCC4)cc1;c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C22H23N5O3S/c23-31(29,30)19-9-7-18(8-10-19)25-22-24-12-11-20(26-22)16-5-4-6-17(15-16)21(28)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H2,23,29,30)(H,24,25,26)","","2012-07-13","2012-10-12","4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide","2012-10-12"],["ELA","Elaidic acid","C18 H34 O2","O=C(O)CCCCCCC/C=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(O)=O;CCCCCCCCC=CCCCCCCCC(=O)O","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+","9-OCTADECENOIC ACID","1999-07-08","2025-07-16","(9E)-octadec-9-enoic acid",""],["0VV","N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide","C8 H10 N4 O2 S","O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N;N[S](=O)(=O)N=C1NCc2ccccc2N1;c1ccc2c(c1)CNC(=NS(=O)(=O)N)N2","InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12)","","2012-07-15","2013-06-28","N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide","2013-07-03"],["ELB","4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide","C19 H20 I N5 O2","Nc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12;c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N","InChI=1S/C19H20IN5O2/c20-12-4-6-13(7-5-12)22-18(26)24-10-8-14(9-11-24)25-16-3-1-2-15(21)17(16)23-19(25)27/h1-7,14H,8-11,21H2,(H,22,26)(H,23,27)","TH5675","2018-03-26","2020-06-17","4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide","2018-11-28"],["0VW","N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide","C4 H10 N4 O2 S","O=S(=O)(/N=C1NCCCN1)N;N[S](=O)(=O)N=C1NCCCN1;C1CNC(=NS(=O)(=O)N)NC1","InChI=1S/C4H10N4O2S/c5-11(9,10)8-4-6-2-1-3-7-4/h1-3H2,(H2,5,9,10)(H2,6,7,8)","","2012-07-15","2013-07-12","N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide","2013-07-17"],["ELD","(9E)-OCTADEC-9-ENAMIDE","C18 H35 N O","O=C(N)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(N)=O;CCCCCCCCC=CCCCCCCCC(=O)N","InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)","ELAIDOYLAMIDE","2003-12-02","2021-03-01","(9Z)-octadec-9-enamide",""],["0VX","N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide","C3 H7 N3 O3 S","O=S(=O)(/N=C1OCCN1)N;N[S](=O)(=O)N=C1NCCO1;C1COC(=NS(=O)(=O)N)N1","InChI=1S/C3H7N3O3S/c4-10(7,8)6-3-5-1-2-9-3/h1-2H2,(H,5,6)(H2,4,7,8)","","2012-07-15","2013-07-12","N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide","2013-07-17"],["ELE","2-keto 3 deoxy 6 phospho gluconate","C6 H11 O9 P","O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O;C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O","InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1","","2018-03-26","2018-06-22","(4~{S},5~{R})-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexanoic acid","2018-06-27"],["0VY","N'-sulfamoylpyrrolidine-1-carboximidamide","C5 H12 N4 O2 S","O=S(=O)(/N=C(N)N1CCCC1)N;NC(=N[S](N)(=O)=O)N1CCCC1;C1CCN(C1)C(=NS(=O)(=O)N)N","InChI=1S/C5H12N4O2S/c6-5(8-12(7,10)11)9-3-1-2-4-9/h1-4H2,(H2,6,8)(H2,7,10,11)","","2012-07-15","2013-07-12","N'-sulfamoylpyrrolidine-1-carboximidamide","2013-07-17"],["ELF","(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propanal","C8 H14 N2 O2","N[CH](C[CH]1CCCNC1=O)C=O;C1CC(C(=O)NC1)CC(C=O)N","InChI=1S/C8H14N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h5-7H,1-4,9H2,(H,10,12)/t6-,7-/m0/s1","","2020-01-14","2020-05-22","(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanal","2020-05-27"],["0VZ","ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate","C6 H11 N3 O4 S2","O=S(=O)(/N=C1SCC(C(=O)OCC)N1)N;CCOC(=O)[CH]1CSC(N1)=N[S](N)(=O)=O;CCOC(=O)C1CSC(=NS(=O)(=O)N)N1","InChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1","","2012-07-15","2013-06-28","ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate","2013-07-03"],["ELG","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te\ntrahydro-2H-pyran-2-yl]oxy}octanamide","C33 H56 N2 O10","N(C(CCCCCCC)=O)C(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2cccc(c2)CCCCC;CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)Nc2cccc(CCCCC)c2;CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2cccc(c2)CCCCC)O)O","InChI=1S/C33H56N2O10/c1-3-5-7-8-10-17-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)16-12-18-27(38)34-23-15-11-14-22(19-23)13-9-6-4-2/h11,14-15,19,24-26,29-33,36-37,40-43H,3-10,12-13,16-18,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1","aGSA[8,P5m]","2018-01-19","2020-06-17","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","2019-01-30"],["0W0","(4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid","C22 H24 N8 O13 S2","O=C1C=C(N(O)C=C1O)c2noc(c2)C(=O)NCC(NS(=O)(=O)O)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N;CC(C)(ON=C(C(=O)N[CH](C=O)[CH](CNC(=O)c1onc(c1)C2=CC(=O)C(=CN2O)O)N[S](O)(=O)=O)c3csc(N)n3)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C(CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O","InChI=1S/C22H24N8O13S2/c1-22(2,20(36)37)43-28-17(12-8-44-21(23)26-12)19(35)25-11(7-31)10(29-45(39,40)41)5-24-18(34)16-3-9(27-42-16)13-4-14(32)15(33)6-30(13)38/h3-4,6-8,10-11,29,33,38H,5H2,1-2H3,(H2,23,26)(H,24,34)(H,25,35)(H,36,37)(H,39,40,41)/b28-17-/t10-,11-/m1/s1","","2012-07-16","2024-09-27","(4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid","2012-10-12"],["ELH","2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid","C14 H9 N O2 S","OC(=O)c1csc(n1)c2cccc3ccccc23;c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O","InChI=1S/C14H9NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17)","","2018-03-26","2018-09-21","2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid","2018-09-26"],["0W1","1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid","C8 H8 N2 O2 S","O=C(O)c1sc2c(c1)c(nn2C)C;Cn1nc(C)c2cc(sc12)C(O)=O;Cc1c2cc(sc2n(n1)C)C(=O)O","InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12)","","2012-07-16","2013-06-21","1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid","2013-06-26"],["ELI","6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID","C17 H18 O4","O=C2c1c(cccc1)C(=O)C(=C2C)CCCCCC(=O)O;CC1=C(CCCCCC(O)=O)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O","InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)","","2006-04-06","2024-09-27","6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid",""],["0W2","1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea","C29 H34 Cl F N4 O2","O=C(N3N(c1c(F)cccc1)C(c2ccccc2Cl)CC3)C(NC(=O)NC6C4CC5CC(C4)CC6C5)C;C[CH](NC(=O)NC1C2CC3CC(C2)CC1C3)C(=O)N4CC[CH](N4c5ccccc5F)c6ccccc6Cl;CC(C(=O)N1CCC(N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6","InChI=1S/C29H34ClFN4O2/c1-17(32-29(37)33-27-20-13-18-12-19(15-20)16-21(27)14-18)28(36)34-11-10-25(22-6-2-3-7-23(22)30)35(34)26-9-5-4-8-24(26)31/h2-9,17-21,25,27H,10-16H2,1H3,(H2,32,33,37)/t17-,18-,19+,20-,21+,25+,27-/m0/s1","","2012-07-17","2013-11-08","1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea","2013-11-13"],["ELJ","chlorido(eta-6-p-cymene)(N-phenyl-2-pyridinecarbothioamide)osmium(II)","C22 H24 Cl N2 Os S","Cl[Os]2S=C(c1ccccn12)Nc3ccccc3.c1cc(ccc1C(C)C)C;CC(C)c1ccc(C)cc1.Cl[Os]|2|S=C(Nc3ccccc3)c4ccccn|24;Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl","InChI=1S/C12H10N2S.C10H14.ClH.Os/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10;1-8(2)10-6-4-9(3)5-7-10;;/h1-9H,(H,14,15);4-8H,1-3H3;1H;/q;;;+1/p-1","","2013-03-09","2013-04-12","chloro(N-phenylpyridine-2-carbothioamide-kappa~2~N~1~,S)osmium - 1-methyl-4-(propan-2-yl)benzene (1:1)","2013-04-17"],["0W3","(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid","C41 H72 O9","O=C(O)CCC(C)CC(C)CC(C(=O)CC(=O)C(C)CC(C)C/C=CC(C)C(O)C(C)C(O)CC2OC(C1OC(CC1)(C(O)C)C)(C)CC2)C;C[CH](CCC(O)=O)C[CH](C)C[CH](C)C(=O)CC(=O)[CH](C)C[CH](C)CC=C[CH](C)[CH](O)[CH](C)[CH](O)C[CH]1CC[C](C)(O1)[CH]2CC[C](C)(O2)[CH](C)O;CC(CCC(=O)O)CC(C)CC(C)C(=O)CC(=O)C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O","InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,25-33,36-37,39,42,45,48H,12,14-24H2,1-10H3,(H,46,47)/b13-11-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1","Ionomycin","2012-07-17","2021-03-01","(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid","2013-03-20"],["ELK","~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide","C22 H26 N4 O4","COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(OC)cccc34)ccc1C;Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC","InChI=1S/C22H26N4O4/c1-14-7-8-15(13-19(14)30-3)23-21(27)25-11-9-16(10-12-25)26-17-5-4-6-18(29-2)20(17)24-22(26)28/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28)","","2018-03-27","2019-04-05","~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide","2019-04-10"],["0W4","~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide","C19 H16 Cl2 N4 O","Clc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3Cl;c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl","InChI=1S/C19H16Cl2N4O/c20-15-7-3-1-5-13(15)11-24-18-17(22-9-10-23-18)19(26)25-12-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,23,24)(H,25,26)","","2021-06-09","2021-07-23","~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide","2021-07-28"],["ELL","(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal","C7 H12 N2 O2","N[CH](C[CH]1CCNC1=O)C=O;C1CNC(=O)C1CC(C=O)N","InChI=1S/C7H12N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h4-6H,1-3,8H2,(H,9,11)/t5-,6-/m0/s1","","2020-01-14","2024-09-27","(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propanal","2020-04-29"],["0W5","(2E,4E)-11-methyldodeca-2,4-dienoic acid","C13 H22 O2","O=C(O)C=CC=CCCCCCC(C)C;CC(C)CCCCCC=CC=CC(O)=O;CC(C)CCCCCC=CC=CC(=O)O","InChI=1S/C13H22O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,14,15)/b7-5+,11-9+","","2012-07-19","2024-09-27","(2E,4E)-11-methyldodeca-2,4-dienoic acid","2012-10-19"],["ELM","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra\nhydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide","C38 H66 N2 O10","C(CCCCCCCCCC)C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(C(C(C2O)O)O)CO)=O;CCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2;CCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O","InChI=1S/C38H66N2O10/c1-2-3-4-5-6-7-8-9-16-23-33(44)40-29(27-49-38-37(48)36(47)35(46)31(26-41)50-38)34(45)30(42)22-18-24-32(43)39-25-17-11-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29-31,34-38,41-42,45-48H,2-11,13,16-19,22-27H2,1H3,(H,39,43)(H,40,44)/t29-,30+,31+,34-,35-,36-,37+,38-/m0/s1","aGSA[12,6P]","2018-01-19","2020-06-17","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide (non-preferred name)","2019-01-30"],["0W6","(4S)-4-aminopentanoic acid","C5 H11 N O2","O=C(O)CCC(N)C;C[CH](N)CCC(O)=O;CC(CCC(=O)O)N","InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","(2E,4S)-4-aminopent-2-enoic acid, Bound form","2012-07-19","2024-09-27","(4S)-4-aminopentanoic acid","2012-10-19"],["ELN","~{N}-(4-chlorophenyl)-2-cyano-ethanamide","C9 H7 Cl N2 O","Clc1ccc(NC(=O)CC#N)cc1;c1cc(ccc1NC(=O)CC#N)Cl","InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)","","2018-03-27","2019-04-05","~{N}-(4-chlorophenyl)-2-cyano-ethanamide","2019-04-10"],["0W7","2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide","C16 H18 N4 O3","O=C1C=C(N=C(N1)CC(=O)Nc2ccccc2)N3CCOCC3;O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3;c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3","InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)","","2012-07-19","2012-11-09","2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide","2012-11-09"],["ELO","Elaiophylin","C54 H88 O18","CC[CH]1[CH](C)O[C](O)(C[CH]1O[CH]2C[CH](O)[CH](O)[CH](C)O2)[CH](C)[CH](O)[CH](C)[CH]3OC(=O)C=CC=C[CH](C)[CH](OC(=O)C=CC=C[CH]3C)[CH](C)[CH](O)[CH](C)[C]4(O)C[CH](O[CH]5C[CH](O)[CH](O)[CH](C)O5)[CH](CC)[CH](C)O4;CCC1C(OC(CC1OC2CC(C(C(O2)C)O)O)(C(C)C(C(C)C3C(C=CC=CC(=O)OC(C(C=CC=CC(=O)O3)C)C(C)C(C(C)C4(CC(C(C(O4)C)CC)OC5CC(C(C(O5)C)O)O)O)O)C)O)O)C","InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+/m0/s1","(3~{E},5~{E},7~{S},8~{S},11~{E},13~{E},15~{S},16~{S})-8,16-bis[(2~{S},3~{R},4~{S})-4-[(2~{R},4~{R},5~{R},6~{R})-5-ethyl-6-methyl-4-[(2~{R},4~{S},5~{S},6~{S})-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione","2021-01-26","2022-10-28","(3~{E},5~{E},7~{S},8~{S},11~{E},13~{E},15~{S},16~{S})-8,16-bis[(2~{S},3~{R},4~{S})-4-[(2~{R},4~{R},5~{R},6~{R})-5-ethyl-6-methyl-4-[(2~{R},4~{S},5~{S},6~{S})-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione","2022-11-02"],["0W8","1-ethyl-1,3-dihydro-2H-benzimidazol-2-one","C9 H10 N2 O","O=C2Nc1ccccc1N2CC;CCN1C(=O)Nc2ccccc12;CCN1c2ccccc2NC1=O","InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)","","2012-07-20","2012-09-07","1-ethyl-1,3-dihydro-2H-benzimidazol-2-one","2012-09-07"],["ELP","(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID","C16 H20 N2 O8 P2","O=P(O)(O)OCc2cnc(c(O)c2/C=N/C(c1ccccc1)(C)P(=O)(O)O)C;Cc1ncc(CO[P](O)(O)=O)c(C=N[C](C)(c2ccccc2)[P](O)(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)(c2ccccc2)P(=O)(O)O)O","InChI=1S/C16H20N2O8P2/c1-11-15(19)14(12(8-17-11)10-26-28(23,24)25)9-18-16(2,27(20,21)22)13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3,(H2,20,21,22)(H2,23,24,25)/b18-9+/t16-/m1/s1","","2002-07-09","2011-06-04","[(1R)-1-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-1-phenylethyl]phosphonic acid",""],["0WA","4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol","C14 H10 F N3 O S","Fc1cc(c(O)cc1)Nc2nc(cs2)c3ccncc3;Oc1ccc(F)cc1Nc2scc(n2)c3ccncc3;c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O","InChI=1S/C14H10FN3OS/c15-10-1-2-13(19)11(7-10)17-14-18-12(8-20-14)9-3-5-16-6-4-9/h1-8,19H,(H,17,18)","","2012-07-22","2012-08-03","4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol",""],["ELQ","[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone","C12 H14 F2 N2 O","CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2;CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F","InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3","","2018-03-27","2018-12-14","[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone","2018-12-19"],["0WB","3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile","C16 H10 F N3 O S","N#Cc3cccc(c1nc(sc1)Nc2c(O)ccc(F)c2)c3;Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N;c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N","InChI=1S/C16H10FN3OS/c17-12-4-5-15(21)13(7-12)19-16-20-14(9-22-16)11-3-1-2-10(6-11)8-18/h1-7,9,21H,(H,19,20)","","2012-07-22","2012-08-03","3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile",""],["ELR","phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate","C20 H38 O7 P2","C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m0/s1","","2020-01-15","2020-11-13","phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate","2020-11-18"],["0WC","(2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol","C19 H16 Cl N5 O S","Clc1cnc(nc1N4c3c(ccc(C#CC(O)(c2nccs2)C)c3)CC4)N;C[C](O)(C#Cc1ccc2CCN(c2c1)c3nc(N)ncc3Cl)c4sccn4;CC(C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O","InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1","","2012-08-07","2012-08-10","(2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol",""],["ELS","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr\nahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide","C51 H92 N2 O10","C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(CCCCC)cc2)O)O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)Nc2ccc(CCCCC)cc2;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(cc2)CCCCC)O)O","InChI=1S/C51H92N2O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-46(57)53-42(39-62-51-50(61)49(60)48(59)44(38-54)63-51)47(58)43(55)31-29-33-45(56)52-41-36-34-40(35-37-41)30-27-6-4-2/h34-37,42-44,47-51,54-55,58-61H,3-33,38-39H2,1-2H3,(H,52,56)(H,53,57)/t42-,43+,44+,47-,48-,49-,50+,51-/m0/s1","aGSA[26,P5p]","2018-01-19","2020-06-17","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (non-preferred name)","2019-01-30"],["0WD","[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","C21 H30 N7 O17 P3","NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N","InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-15(31)16(44-46(33,34)35)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)14(30)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2012-07-23","2012-09-14","[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2012-09-14"],["ELT","ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid","C4 H12 N O3 P","CCO[P](O)(=O)N(C)C;CCOP(=O)(N(C)C)O","InChI=1S/C4H12NO3P/c1-4-8-9(6,7)5(2)3/h4H2,1-3H3,(H,6,7)","","2018-03-28","2024-09-27","ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid","2018-08-29"],["0WE","N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide","C22 H23 N3 O3","O=C2Nc1ncc(cc1CC2)CCC(=O)N(C)Cc4oc3ccccc3c4C;CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3;Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4","InChI=1S/C22H23N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26)","","2012-07-23","2012-09-14","N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide","2012-09-14"],["ELU","phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate","C20 H38 O7 P2","C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m1/s1","","2020-01-15","2020-11-13","phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate","2020-11-18"],["0WF","1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C21 H25 N5 O2","O=C1NC(=Nc2c1cnn2C3CCCC3)C(N5CC(Oc4ccccc4)C5)C;C[CH](N1C[CH](C1)Oc2ccccc2)C3=Nc4n(ncc4C(=O)N3)C5CCCC5;CC(C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5","InChI=1S/C21H25N5O2/c1-14(25-12-17(13-25)28-16-9-3-2-4-10-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-5-6-8-15/h2-4,9-11,14-15,17H,5-8,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1","","2012-07-23","2013-05-24","1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2013-05-29"],["ELV","6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C23 H23 Cl F N O5","COc1cc2N(C=C(C(O)=O)C(=O)c2cc1Cc3cccc(Cl)c3F)[CH](CO)C(C)C;CC(C)C(CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O","InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1","Elvitegravir; GS9137; JTK 303","2010-01-04","2021-03-13","6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(2S)-1-hydroxy-3-methyl-butan-2-yl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid",""],["0WG","7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","C16 H16 Br N5 O2","Brc1ccccc1c3c(c(nc2c3C(=O)N(C(=O)N2C)C)N)CN;CN1C(=O)N(C)c2nc(N)c(CN)c(c3ccccc3Br)c2C1=O;CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C","InChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)","","2012-07-24","2013-02-22","7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","2013-02-22"],["ELW","5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide","C20 H14 F N5 O3","CN1C=C[C](O)(C#Cc2ccnc(c2)n3nc(C(N)=O)c4cc(F)ccc34)C1=O;CN1C=CC(C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O","InChI=1S/C20H14FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,7-11,29H,1H3,(H2,22,27)/t20-/m0/s1","","2018-03-29","2018-06-29","5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide","2018-07-04"],["0WH","1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone","C24 H20 F3 N5 O","FC(F)(F)c1cccc(c1)CC(=O)N3c2ccc(cc2CC3)c5c4c(ncnc4n(c5)C)N;Cn1cc(c2ccc3N(CCc3c2)C(=O)Cc4cccc(c4)C(F)(F)F)c5c(N)ncnc15;Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F","InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)","","2012-07-24","2012-08-03","1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone",""],["ELX","(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol","C20 H34 O","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO;CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C","InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+","","2020-01-15","2020-11-13","(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol","2020-11-18"],["0WK","1,5-anhydro-6-O-phosphono-D-glucitol","C6 H13 O8 P","O=P(O)(O)OCC1OCC(O)C(O)C1O;O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C1C(C(C(C(O1)COP(=O)(O)O)O)O)O","InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1","","2012-07-24","2020-07-17","1,5-anhydro-6-O-phosphono-D-glucitol","2013-07-03"],["ELY","N~6~,N~6~-diethyl-L-lysine","C10 H22 N2 O2","C(=O)(C(N)CCCCN(CC)CC)O;CCN(CC)CCCC[CH](N)C(O)=O;CCN(CC)CCCCC(C(=O)O)N","InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1","(2S)-2-azanyl-6-(diethylamino)hexanoic acid","2011-03-25","2024-09-27","N~6~,N~6~-diethyl-L-lysine",""],["0WL","1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C19 H23 N7 O","O=C1NC(=Nc2c1cnn2C3CCCC3)C(N5CC(c4ncccn4)C5)C;C[CH](N1C[CH](C1)c2ncccn2)C3=Nc4n(ncc4C(=O)N3)C5CCCC5;CC(C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5","InChI=1S/C19H23N7O/c1-12(25-10-13(11-25)17-20-7-4-8-21-17)16-23-18-15(19(27)24-16)9-22-26(18)14-5-2-3-6-14/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1","","2012-07-25","2013-05-24","1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2013-05-29"],["ELZ","10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide","C25 H27 N5 O6","CN1CC[C](O)(C#Cc2ccc3OCCn4c(nc(C(N)=O)c4C(=O)NC5CCOCC5)c3c2)C1=O;CN1CCC(C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O","InChI=1S/C25H27N5O6/c1-29-9-8-25(34,24(29)33)7-4-15-2-3-18-17(14-15)22-28-19(21(26)31)20(30(22)10-13-36-18)23(32)27-16-5-11-35-12-6-16/h2-3,14,16,34H,5-6,8-13H2,1H3,(H2,26,31)(H,27,32)/t25-/m0/s1","","2018-03-29","2018-06-29","10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide","2018-07-04"],["0WM","(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide","C24 H25 Cl F N5 O3","Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C;CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[CH]4CCOC4;CN(C)CC=CC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1","Afatinib","2012-07-26","2021-03-01","(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide","2012-08-24"],["EM0","4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide","C16 H16 F N3 O3 S","Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1;CN1Cc2cc(N[S](=O)(=O)c3ccc(F)c(C)c3)ccc2NC1=O;Cc1cc(ccc1F)S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)N3)C","InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21)","","2021-12-08","2022-08-26","4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide","2022-08-31"],["0WN","N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide","C24 H27 Cl F N5 O3","Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)CCCN(C)C;CN(C)CCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[CH]4CCOC4;CN(C)CCCC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1","Afatinib, bound form","2012-07-27","2024-09-27","N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide","2012-08-24"],["EM1","(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a\n,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside","C43 H65 F N6 O10","O=C2OC5(C(OC(=O)C(F)(C(=O)C(C(OC1OC(C)CC(N(C)C)C1O)C(OC)(C)CC(C(=O)C(C)C5N2CCCCn4nnc(c3cccc(N)c3)c4)C)C)C)CC)C;CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(N)c5)C(=O)O[C]13C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C","InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1","CEM-101","2010-09-20","2020-06-17","(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",""],["0WO","(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo\nxylic acid","C19 H21 N3 O6 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C;Cc1onc(c2ccccc2)c1C(=O)N[CH]([CH]3N[CH](C(O)=O)C(C)(C)S3)C(O)=O;Cc1c(c(no1)c2ccccc2)C(=O)NC(C3NC(C(S3)(C)C)C(=O)O)C(=O)O","InChI=1S/C19H21N3O6S/c1-9-11(12(22-28-9)10-7-5-4-6-8-10)15(23)20-13(17(24)25)16-21-14(18(26)27)19(2,3)29-16/h4-8,13-14,16,21H,1-3H3,(H,20,23)(H,24,25)(H,26,27)/t13-,14-,16+/m0/s1","Oxacillin, hydroxylated form","2012-07-27","2024-09-27","(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["EM2","(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate","C9 H8 N O6 P","Oc1c(C=O)c(CO[P](O)(O)=O)cnc1C#C;C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O","InChI=1S/C9H8NO6P/c1-2-8-9(12)7(4-11)6(3-10-8)5-16-17(13,14)15/h1,3-4,12H,5H2,(H2,13,14,15)","","2018-03-29","2024-09-27","(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate","2018-05-30"],["0WP","3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide","C25 H20 F2 N6 O3","N#CC(c1cccc(c1)C(=O)Nc2ccc(F)c(c2F)C(=O)Nc3cc4c(OC)nnc4nc3)(C)C;COc1[nH]nc2ncc(NC(=O)c3c(F)ccc(NC(=O)c4cccc(c4)C(C)(C)C#N)c3F)cc12;CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F","InChI=1S/C25H20F2N6O3/c1-25(2,12-28)14-6-4-5-13(9-14)22(34)31-18-8-7-17(26)19(20(18)27)23(35)30-15-10-16-21(29-11-15)32-33-24(16)36-3/h4-11H,1-3H3,(H,30,35)(H,31,34)(H,29,32,33)","","2012-07-27","2012-11-09","3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide","2012-11-09"],["EM4","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide","C52 H94 N2 O10","C(C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(CO)C(O)C(O)C2O)=O)CCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O","InChI=1S/C52H94N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-37-47(58)54-43(41-63-52-51(62)50(61)49(60)45(40-55)64-52)48(59)44(56)36-32-38-46(57)53-39-31-25-24-27-33-42-34-28-26-29-35-42/h26,28-29,34-35,43-45,48-52,55-56,59-62H,2-25,27,30-33,36-41H2,1H3,(H,53,57)(H,54,58)/t43-,44+,45+,48-,49-,50-,51+,52-/m0/s1","aGSA[26,6P]","2018-01-19","2021-03-13","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (non-preferred name)","2019-01-30"],["0WQ","Z-2-(3-bromophenyl) propanal oxime","C9 H10 Br N O","C[CH](C=NO)c1cccc(Br)c1;CC(C=NO)c1cccc(c1)Br","InChI=1S/C9H10BrNO/c1-7(6-11-12)8-3-2-4-9(10)5-8/h2-7,12H,1H3/b11-6-/t7-/m0/s1","","2021-06-16","2022-04-22","(~{N}~{Z})-~{N}-[(2~{R})-2-(3-bromophenyl)propylidene]hydroxylamine","2022-04-27"],["EM5","4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide","C15 H22 Cl N3 O4 S","N[S](=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl;c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO","InChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23)","","2018-03-29","2019-03-08","4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide","2019-03-13"],["0WR","2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol","C28 H39 N9 O2","n3c(nc1c(nc(n1C)CN2CCC(C(O)(C)C)CC2)c3N4CCOCC4)n5c6ccccc6nc5N(C)C;CN(C)c1nc2ccccc2n1c3nc(N4CCOCC4)c5nc(CN6CCC(CC6)C(C)(C)O)n(C)c5n3;CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O","InChI=1S/C28H39N9O2/c1-28(2,38)19-10-12-35(13-11-19)18-22-30-23-24(34(22)5)31-26(32-25(23)36-14-16-39-17-15-36)37-21-9-7-6-8-20(21)29-27(37)33(3)4/h6-9,19,38H,10-18H2,1-5H3","","2012-07-31","2012-08-17","2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol",""],["EM6","6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C10 H10 N4 O","CCC1=C(C)N=C2N(NC=C2C#N)C1=O;CCC1=C(N=C2C(=CNN2C1=O)C#N)C","InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,12H,3H2,1-2H3","","2015-10-10","2015-10-16","6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2015-10-21"],["0WS","2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid","C9 H7 N3 O2","O=C(O)c2ccnc(c1nncc1)c2;OC(=O)c1ccnc(c1)c2cc[nH]n2;c1c[nH]nc1c2cc(ccn2)C(=O)O","InChI=1S/C9H7N3O2/c13-9(14)6-1-3-10-8(5-6)7-2-4-11-12-7/h1-5H,(H,11,12)(H,13,14)","","2012-08-01","2012-08-10","2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid",""],["EM7","3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE","C13 H12 N8 O","O=C(NC)c3nc(c1cccc(c1)c2nnnn2)cnc3N;CNC(=O)c1nc(cnc1N)c2cccc(c2)c3[nH]nnn3;CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N","InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21)","","2012-03-22","2014-09-05","3-amino-N-methyl-6-[3-(1H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide",""],["0WT","(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine","C17 H18 Cl N7 O","Clc3c2c(nc(Oc1cncnc1)nc2nc3CC)N5CC4C(N)C4C5;CCc1[nH]c2nc(Oc3cncnc3)nc(N4C[CH]5[CH](N)[CH]5C4)c2c1Cl;CCc1c(c2c([nH]1)nc(nc2N3CC4C(C3)C4N)Oc5cncnc5)Cl","InChI=1S/C17H18ClN7O/c1-2-11-13(18)12-15(22-11)23-17(26-8-3-20-7-21-4-8)24-16(12)25-5-9-10(6-25)14(9)19/h3-4,7,9-10,14H,2,5-6,19H2,1H3,(H,22,23,24)/t9-,10+,14+","","2012-08-03","2013-02-08","(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine","2013-02-08"],["EM8","(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid","C20 H17 F3 N2 O4","C[CH](CC(O)=O)c1cccc(c1)n2c(cc3ccc(OC(F)(F)F)cc23)C(N)=O;CC(CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F","InChI=1S/C20H17F3N2O4/c1-11(7-18(26)27)12-3-2-4-14(8-12)25-16-10-15(29-20(21,22)23)6-5-13(16)9-17(25)19(24)28/h2-6,8-11H,7H2,1H3,(H2,24,28)(H,26,27)/t11-/m1/s1","","2018-03-29","2018-08-31","(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid","2018-09-05"],["0WU","(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one","C10 H14 O","O=C1C(=CCC(C(=C)C)C1)C;CC(=C)[CH]1CC=C(C)C(=O)C1;CC1=CCC(CC1=O)C(=C)C","InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1","S-carvone","2012-08-03","2020-06-17","(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one","2012-08-24"],["EM9","N-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide","C34 H54 Cl N O3","C(CCCCCCCCCC(N(CCCC)C)=O)C1C3C(c2c(C1)cc(cc2)O)CCC4(C(O)C(Cl)CC34)C;CCCCN(C)C(=O)CCCCCCCCCC[CH]1Cc2cc(O)ccc2[CH]3CC[C]4(C)[CH](O)[CH](Cl)C[CH]4[CH]13;CCCCN(C)C(=O)CCCCCCCCCCC1Cc2cc(ccc2C3C1C4CC(C(C4(CC3)C)O)Cl)O","InChI=1S/C34H54ClNO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28-,29+,30-,32-,33+,34+/m1/s1","","2018-06-21","2018-09-07","N-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide","2018-09-12"],["0WV","2-methyl-5-(prop-1-en-2-yl)phenol","C10 H12 O","Oc1cc(C(=C)C)ccc1C;CC(=C)c1ccc(C)c(O)c1;Cc1ccc(cc1O)C(=C)C","InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6,11H,1H2,2-3H3","","2012-08-08","2012-08-24","2-methyl-5-(prop-1-en-2-yl)phenol","2012-08-24"],["EMA","(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE","C8 H14 N5 O10 P3","Nc1ncnc2n(CCOC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N","InChI=1S/C8H14N5O10P3/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-21-5-24(14,15)22-26(19,20)23-25(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18)","9-(2-PHOSPHONYLMETHOXYETHYL)ADENINE DIPHOSPHATE","2003-08-25","2020-06-17","2-(6-aminopurin-9-yl)ethoxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid",""],["0WW","4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C23 H28 N6 O S","O=C1c2cc4nc(nc4c(c2N=CN1)CCNCC3CCCCC3)NCc5sccc5;O=C1NC=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCc5sccc5)nc4cc12;c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O","InChI=1S/C23H28N6OS/c30-22-18-11-19-21(29-23(28-19)25-13-16-7-4-10-31-16)17(20(18)26-14-27-22)8-9-24-12-15-5-2-1-3-6-15/h4,7,10-11,14-15,24H,1-3,5-6,8-9,12-13H2,(H2,25,28,29)(H,26,27,30)","","2012-08-09","2013-08-30","4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-09-04"],["EMB","METHYL-CARBAMIC ACID ETHYL ESTER","C4 H9 N O2","O=C(OCC)NC;CCOC(=O)NC;CCOC(=O)NC","InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)","","1999-10-22","2011-06-04","ethyl methylcarbamate",""],["0WX","4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C24 H35 N7 O2","O=C2c3cc5nc(NCCN1CCOCC1)nc5c(c3N=CN2)CCNCC4CCCCC4;O=C1NC=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCCN5CCOCC5)nc4cc12;c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O","InChI=1S/C24H35N7O2/c32-23-19-14-20-22(30-24(29-20)26-8-9-31-10-12-33-13-11-31)18(21(19)27-16-28-23)6-7-25-15-17-4-2-1-3-5-17/h14,16-17,25H,1-13,15H2,(H2,26,29,30)(H,27,28,32)","","2012-08-10","2013-08-30","4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-09-04"],["EMC","ETHYL MERCURY ION","C2 H5 Hg","[Hg+]CC;CC[Hg+];CC[Hg+]","InChI=1S/C2H5.Hg/c1-2;/h1H2,2H3;/q;+1","","1999-07-08","2011-06-04","ethylmercury(1+)",""],["0WY","6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C26 H33 N7 O","O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=C(N)N3)CCNCC5CCCCC5;NC1=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCCc5ccccc5)nc4cc2C(=O)N1;c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N","InChI=1S/C26H33N7O/c27-25-31-22-19(12-13-28-16-18-9-5-2-6-10-18)23-21(15-20(22)24(34)33-25)30-26(32-23)29-14-11-17-7-3-1-4-8-17/h1,3-4,7-8,15,18,28H,2,5-6,9-14,16H2,(H2,29,30,32)(H3,27,31,33,34)","","2012-08-10","2013-08-30","6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-09-04"],["EMD","5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE","C22 H23 N3 O4 S","O=C1SC(C(=NN1)c2cc4c(cc2)N(C(=O)c3ccc(OC)c(OC)c3)CCC4)C;COc1ccc(cc1OC)C(=O)N2CCCc3cc(ccc23)C4=NNC(=O)S[CH]4C;CC1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC","InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1","","2001-04-20","2011-06-04","(6R)-5-{1-[(3,4-dimethoxyphenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one",""],["0WZ","3-(1H-pyrazol-1-yl)-L-tyrosine","C12 H13 N3 O3","O=C(O)C(N)Cc1ccc(O)c(c1)n2nccc2;N[CH](Cc1ccc(O)c(c1)n2cccn2)C(O)=O;c1cnn(c1)c2cc(ccc2O)CC(C(=O)O)N","InChI=1S/C12H13N3O3/c13-9(12(17)18)6-8-2-3-11(16)10(7-8)15-5-1-4-14-15/h1-5,7,9,16H,6,13H2,(H,17,18)/t9-/m0/s1","","2012-08-16","2024-09-27","3-(1H-pyrazol-1-yl)-L-tyrosine","2012-08-24"],["EME","N-methyl-L-glutamic acid","C6 H11 N O4","O=C(O)C(NC)CCC(=O)O;CN[CH](CCC(O)=O)C(O)=O;CNC(CCC(=O)O)C(=O)O","InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1","","2012-03-20","2024-09-27","N-methyl-L-glutamic acid",""],["0X0","2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide","C24 H34 N2 O5 S","O=S(c1ccc(cc1)C)(=O)N(CC(NC(C(C)C)C(C)C)=O)c2ccc(c(c2)OC)OC;COc1ccc(cc1OC)N(CC(=O)NC(C(C)C)C(C)C)[S](=O)(=O)c2ccc(C)cc2;Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC","InChI=1S/C24H34N2O5S/c1-16(2)24(17(3)4)25-23(27)15-26(19-10-13-21(30-6)22(14-19)31-7)32(28,29)20-11-8-18(5)9-12-20/h8-14,16-17,24H,15H2,1-7H3,(H,25,27)","","2016-12-16","2017-06-30","N~2~-(3,4-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide","2017-07-05"],["EMF","ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate","C13 H16 O4","O=C(OCC)C2CC2c1ccc(O)c(OC)c1;CCOC(=O)[CH]1C[CH]1c2ccc(O)c(OC)c2;CCOC(=O)C1CC1c2ccc(c(c2)OC)O","InChI=1S/C13H16O4/c1-3-17-13(15)10-7-9(10)8-4-5-11(14)12(6-8)16-2/h4-6,9-10,14H,3,7H2,1-2H3/t9-,10+/m1/s1","","2007-09-04","2011-06-04","ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate",""],["0X1","(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate","C24 H22 N5 O7 P","O=P(O)(O)OCc1cnc(c(O)c1CNC2=Cc5c(N3C(=O)NN=C23)ccc(Oc4ccccc4)c5)C;Cc1ncc(CO[P](O)(O)=O)c(CNC2=Cc3cc(Oc4ccccc4)ccc3N5C(=O)NN=C25)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O","InChI=1S/C24H22N5O7P/c1-14-22(30)19(16(11-25-14)13-35-37(32,33)34)12-26-20-10-15-9-18(36-17-5-3-2-4-6-17)7-8-21(15)29-23(20)27-28-24(29)31/h2-11,26,30H,12-13H2,1H3,(H,28,31)(H2,32,33,34)","","2012-08-16","2012-08-24","(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate","2012-08-24"],["EMG","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]icosanamide","C46 H82 N2 O10","O=C(CCCCCCCCCCCCCCCCCCC)NC(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)NCCCCCCc2ccccc2;CCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2;CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O","InChI=1S/C46H82N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-31-41(52)48-37(35-57-46-45(56)44(55)43(54)39(34-49)58-46)42(53)38(50)30-26-32-40(51)47-33-25-19-18-21-27-36-28-22-20-23-29-36/h20,22-23,28-29,37-39,42-46,49-50,53-56H,2-19,21,24-27,30-35H2,1H3,(H,47,51)(H,48,52)/t37-,38+,39+,42-,43-,44-,45+,46-/m0/s1","aGSA[20,6P]","2018-01-19","2021-03-13","N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]icosanamide (non-preferred name)","2019-01-30"],["0X2","2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide","C12 H8 Cl2 N2 O2","O=C2N=CCC(NC(=O)c1c(Cl)cccc1Cl)=C2;Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2;c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl","InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-3,5-6H,4H2,(H,16,18)","","2012-08-17","2013-06-14","2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide","2013-06-19"],["EMH","9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile","C30 H34 N4 O2","N#Cc1cc2c(cc1)c4c(n2)C(c3cc(c(cc3C4=O)CC)N6CCC(N5CCOCC5)CC6)(C)C;CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6;CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C","InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3","","2010-10-26","2011-06-04","9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile",""],["0X3","N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine","C12 H6 Cl F N4 O3","Fc1cc(cc(Cl)c1)Nc2ccc3nonc3c2[N+]([O-])=O;[O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc3nonc13;c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F","InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H","","2012-08-22","2013-02-22","N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine","2013-02-22"],["EMI","N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide","C23 H25 N5 O4 S","Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCCc3ccc(cc3)[S](N)(=O)=O)cc2;c1ccc(c(c1)N)NC(=O)c2ccc(cc2)NCC(=O)NCCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C23H25N5O4S/c24-20-3-1-2-4-21(20)28-23(30)17-7-9-18(10-8-17)27-15-22(29)26-14-13-16-5-11-19(12-6-16)33(25,31)32/h1-12,27H,13-15,24H2,(H,26,29)(H,28,30)(H2,25,31,32)","","2022-01-11","2023-01-20","~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]benzamide","2023-01-25"],["0X5","2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide","C16 H13 Cl2 N3 O2","O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cccc2Cl)C3CC3;Clc1cccc(Cl)c1C(=O)Nc2ccnc(NC(=O)C3CC3)c2;c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl","InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)","","2012-08-27","2013-06-14","2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide","2013-06-19"],["EMJ","2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione","C17 H26 O4","O=C1C=C(O)C(=O)C(=C1O)CCCCCCCCCCC;CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O;CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O","InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3","","2012-09-28","2013-02-01","2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione","2013-02-01"],["0X6","2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide","C17 H12 Cl2 N4 O2","O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cc(C#N)cc2Cl)C3CC3;Clc1cc(cc(Cl)c1C(=O)Nc2ccnc(NC(=O)C3CC3)c2)C#N;c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3","InChI=1S/C17H12Cl2N4O2/c18-12-5-9(8-20)6-13(19)15(12)17(25)22-11-3-4-21-14(7-11)23-16(24)10-1-2-10/h3-7,10H,1-2H2,(H2,21,22,23,24,25)","","2012-08-28","2013-05-24","2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide","2013-05-29"],["EMK","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-D-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","C52 H88 F N5 O15 S","O=S(=O)(c1ccc(cc1)C(O)C(n2nnc(c2)CCCN(C)C3C(O)C(OC(C)C3)OC5C(C(OC4OC(C(O)C(OC)(C4)C)C)C(C(=O)OC(CC)C(O)(C)C(O)C(N(C)CC(C)CC5(O)C)C)C)C)CF)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)CCCc4cn(nn4)[CH](CF)[CH](O)c5ccc(cc5)[S](C)(=O)=O)[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CCCc4cn(nn4)C(CF)C(c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O","InChI=1S/C52H88FN5O15S/c1-15-40-52(10,65)45(61)33(6)57(12)27-29(2)24-50(8,64)47(31(4)44(32(5)48(63)71-40)72-41-25-51(9,68-13)46(62)34(7)70-41)73-49-43(60)38(23-30(3)69-49)56(11)22-16-17-36-28-58(55-54-36)39(26-53)42(59)35-18-20-37(21-19-35)74(14,66)67/h18-21,28-34,38-47,49,59-62,64-65H,15-17,22-27H2,1-14H3/t29-,30-,31+,32-,33-,34+,38+,39-,40-,41+,42-,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1","","2010-09-20","2012-06-15","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1R,2S)-3-fluoro-1-hydroxy-1-[4-(methylsulfonyl)phenyl]propan-2-yl}-1H-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-D-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside",""],["0X7","3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide","C13 H14 N4 O","Cc1ccccc1CNc2nccnc2C(N)=O;Cc1ccccc1CNc2c(nccn2)C(=O)N","InChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)8-17-13-11(12(14)18)15-6-7-16-13/h2-7H,8H2,1H3,(H2,14,18)(H,16,17)","","2021-06-09","2021-07-23","3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide","2021-07-28"],["EML","2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol","C20 H26 N8 O S","n1ncc(c1)c2cnc3n2cc(nc3Nc4snc(c4)CN(CC)C(C)(C)CO)C;CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)c4c[nH]nc4)sn1)C(C)(C)CO;CCN(Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO","InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)","SCH 1473759","2010-05-11","2021-03-01","2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}-1,2-thiazol-3-yl)methyl]amino}-2-methylpropan-1-ol",""],["0X8","(~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid","C28 H28 O8","COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(OCC=CC(O)=O)c3C(=O)c2c1CC=C(C)C;CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OCC=CC(=O)O)C=CC(O4)(C)C)C","InChI=1S/C28H28O8/c1-15(2)8-9-17-23-20(13-18(29)26(17)33-5)35-21-14-19-16(10-11-28(3,4)36-19)27(24(21)25(23)32)34-12-6-7-22(30)31/h6-8,10-11,13-14,29H,9,12H2,1-5H3,(H,30,31)/b7-6+","","2021-06-17","2021-10-15","(~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid","2021-10-20"],["EMM","[METHYL(VINYL)AMINO]METHANOL","C4 H7 N O2","O=C(O)N(C=C)C;CN(C=C)C(O)=O;CN(C=C)C(=O)O","InChI=1S/C4H7NO2/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7)","N,N-ETHYLMETHYLCARBAMATE","2001-12-04","2024-09-27","ethenyl(methyl)carbamic acid",""],["0X9","N~2~-sulfamoyl-L-arginine","C6 H15 N5 O4 S","O=S(=O)(NC(C(=O)O)CCCNC(=[N@H])N)N;NC(=N)NCCC[CH](N[S](N)(=O)=O)C(O)=O;C(CC(C(=O)O)NS(=O)(=O)N)CNC(=N)N","InChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1","","2012-09-04","2013-08-16","N~2~-sulfamoyl-L-arginine","2013-08-21"],["EMN","(2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine","C10 H23 N O3","COCCOC[CH](C)COC[CH](C)N;CC(COCCOC)COCC(C)N","InChI=1S/C10H23NO3/c1-9(6-13-5-4-12-3)7-14-8-10(2)11/h9-10H,4-8,11H2,1-3H3/t9-,10+/m1/s1","","2009-11-27","2011-06-04","(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methyl-propoxy]propan-2-amine",""],["0XA","(4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione","C29 H41 N3 O5","O=C1c3cc(cc(C(=O)NC(COCC=CCCC1)C(O)CNC(c2ncc(o2)C(C)(C)C)(C)C)c3)C;Cc1cc2cc(c1)C(=O)N[CH](COCC=CCCCC2=O)[CH](O)CNC(C)(C)c3oc(cn3)C(C)(C)C;Cc1cc2cc(c1)C(=O)NC(COCC=CCCCC2=O)C(CNC(C)(C)c3ncc(o3)C(C)(C)C)O","InChI=1S/C29H41N3O5/c1-19-13-20-15-21(14-19)26(35)32-22(18-36-12-10-8-7-9-11-23(20)33)24(34)16-31-29(5,6)27-30-17-25(37-27)28(2,3)4/h8,10,13-15,17,22,24,31,34H,7,9,11-12,16,18H2,1-6H3,(H,32,35)/b10-8+/t22-,24+/m0/s1","","2012-09-04","2013-08-30","(4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione","2013-09-04"],["EMO","3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE","C15 H10 O5","O=C2c1c(O)cc(cc1C(=O)c3c2c(O)cc(O)c3)C;Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1;Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O","InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3","EMODIN","2000-05-24","2020-06-17","1,3,8-trihydroxy-6-methylanthracene-9,10-dione",""],["0XB","N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine","C12 H7 F N4 O3","Fc1cccc(c1)Nc2ccc3nonc3c2[N+]([O-])=O;[O-][N+](=O)c1c(Nc2cccc(F)c2)ccc3nonc13;c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3","InChI=1S/C12H7FN4O3/c13-7-2-1-3-8(6-7)14-10-5-4-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H","","2012-09-05","2013-03-29","N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine","2013-04-03"],["EMP","2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose","C8 H17 N O3","O(C)C1C(NCC)COC(O)C1;CCN[CH]1CO[CH](O)C[CH]1OC;CCNC1COC(CC1OC)O","InChI=1S/C8H17NO3/c1-3-9-6-5-12-8(10)4-7(6)11-2/h6-10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1","2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE;\n2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentose; 2,4-dideoxy-4-(ethylamino)-3-O-methyl-L-threo-pentose;\n2,4-dideoxy-4-(ethylamino)-3-O-methyl-threo-pentose","1999-07-08","2020-07-17","2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose",""],["0XC","(2E)-6-amino-2-iminohexanoic acid","C6 H12 N2 O2","O=C(O)C(=[N@H])CCCCN;NCCCCC(=N)C(O)=O;C(CCN)CC(=N)C(=O)O","InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h8H,1-4,7H2,(H,9,10)/b8-5+","","2012-09-11","2013-12-06","(2E)-6-amino-2-iminohexanoic acid","2013-12-11"],["EMQ","1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea","C25 H31 F3 N4 O2","CN(C)CCNC(=O)NC[CH]1CC[CH]2[CH](Nc3ccc(cc3[CH]2O1)C(F)(F)F)c4ccccc4;CN(C)CCNC(=O)NCC1CCC2C(Nc3ccc(cc3C2O1)C(F)(F)F)c4ccccc4","InChI=1S/C25H31F3N4O2/c1-32(2)13-12-29-24(33)30-15-18-9-10-19-22(16-6-4-3-5-7-16)31-21-11-8-17(25(26,27)28)14-20(21)23(19)34-18/h3-8,11,14,18-19,22-23,31H,9-10,12-13,15H2,1-2H3,(H2,29,30,33)/t18-,19+,22+,23+/m1/s1","","2010-01-22","2011-06-04","1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-dimethylaminoethyl)urea",""],["0XD","(2E)-2-imino-4-(methylsulfanyl)butanoic acid","C5 H9 N O2 S","O=C(O)C(=[N@H])CCSC;CSCCC(=N)C(O)=O;CSCCC(=N)C(=O)O","InChI=1S/C5H9NO2S/c1-9-3-2-4(6)5(7)8/h6H,2-3H2,1H3,(H,7,8)/b6-4+","","2012-09-11","2013-12-06","(2E)-2-imino-4-(methylsulfanyl)butanoic acid","2013-12-11"],["EMR","N-AMINOETHYLMORPHOLINE","C6 H14 N2 O","O1CCN(CCN)CC1;NCCN1CCOCC1;C1COCCN1CCN","InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2","","1999-07-08","2011-06-04","2-morpholin-4-ylethanamine",""],["EMS","(2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid","C14 H20 N5 O7 P","C=1(NC=C(C(C=1O)=CN=C(/C=C/CNC(=N)N)C(O)=O)COP(O)(O)=O)C;CC1=C(O)C(=CN=C(C=CCNC(N)=N)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(C=CCNC(=N)N)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C14H20N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h2-3,5-6,18,20H,4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b3-2+,10-6-,19-11+","","2018-01-22","2018-04-09","(2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid","2018-03-07"],["0XE","5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid","C21 H18 O11","O=C(O)C4OC(Oc3c(O)c(O)c2c(OC(c1ccccc1)=CC2=O)c3)C(O)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccccc4;c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O2","InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1","Baicalin","2012-09-14","2021-03-01","5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid","2012-11-23"],["0XF","6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide","C18 H25 N7 O","O=C(c2nnc(cc2Nc1nc(c(cc1)C)C)NC3CCCCC3N)N;Cc1ccc(Nc2cc(N[CH]3CCCC[CH]3N)nnc2C(N)=O)nc1C;Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)NC3CCCCC3N","InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1","","2012-08-24","2013-08-09","6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide","2013-08-14"],["EMT","2-(ETHYLMERCURI-THIO)-BENZOIC ACID","C9 H10 Hg O2 S","O=C(O)c1ccccc1S[Hg]CC;CC[Hg]Sc1ccccc1C(O)=O;CC[Hg]Sc1ccccc1C(=O)O","InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1","","2001-11-26","2014-09-12","ethyl[2-(sulfanyl-kappaS)benzoato]mercury",""],["0XG","5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid","C19 H18 N4 O4 S","O=C(N(C)C)c1ccc(cc1)Nc2ncc(c(OC)n2)c3scc(C(=O)O)c3;COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1c3scc(c3)C(O)=O;CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O","InChI=1S/C19H18N4O4S/c1-23(2)17(24)11-4-6-13(7-5-11)21-19-20-9-14(16(22-19)27-3)15-8-12(10-28-15)18(25)26/h4-10H,1-3H3,(H,25,26)(H,20,21,22)","","2012-08-27","2013-08-23","5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid","2013-08-28"],["EMU","N-BENZYL-9H-PURIN-6-AMINE","C12 H11 N5","n2c1c(ncn1)c(nc2)NCc3ccccc3;C(Nc1ncnc2[nH]cnc12)c3ccccc3;c1ccc(cc1)CNc2c3c([nH]cn3)ncn2","InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)","BENZYLAMINOPURINE","2006-10-19","2021-03-01","N-benzyl-9H-purin-6-amine",""],["0XH","2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide","C16 H12 Cl2 F N3 O2","O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cccc2Cl)C3CC3F;F[CH]1C[CH]1C(=O)Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2;c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3F)Cl","InChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(18)14(10)16(24)21-8-4-5-20-13(6-8)22-15(23)9-7-12(9)19/h1-6,9,12H,7H2,(H2,20,21,22,23,24)/t9-,12+/m0/s1","","2012-08-28","2013-05-24","2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide","2013-05-29"],["EMV","(2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine","C27 H31 N O S2","c2c(c1cscc1)csc2COc3cccc(c3)CN(CC=CC#CC(C)(C)C)CC;CCN(CC=CC#CC(C)(C)C)Cc1cccc(OCc2scc(c2)c3cscc3)c1;CCN(CC=CC#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3","InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+","","2018-01-22","2019-01-11","(2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine","2019-01-16"],["0XI","(2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate","C10 H13 O4 P","C/C(=CCOP(=O)(O)O)c1ccccc1;CC(=CCO[P](O)(O)=O)c1ccccc1;CC(=CCOP(=O)(O)O)c1ccccc1","InChI=1S/C10H13O4P/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,11,12,13)/b9-7+","","2021-06-18","2021-12-17","(2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate","2021-12-22"],["EMW","(3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide","C20 H26 N8 O2","COc1ccc(NC(=O)N2CCN([CH](C)C2)c3nc(N)nc4n(C)ncc34)c(C)c1;Cc1cc(ccc1NC(=O)N2CCN(C(C2)C)c3c4cnn(c4nc(n3)N)C)OC","InChI=1S/C20H26N8O2/c1-12-9-14(30-4)5-6-16(12)23-20(29)27-7-8-28(13(2)11-27)18-15-10-22-26(3)17(15)24-19(21)25-18/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,29)(H2,21,24,25)/t13-/m0/s1","","2018-03-29","2018-08-10","(3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide","2018-08-15"],["0XJ","(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione","C24 H30 O3","O=C4C3(CCC2C1(C=CC(=O)C=C1C(OCC#CCC)CC2C3CC4)C)C;CCC#CCO[CH]1C[CH]2[CH]3CCC(=O)[C]3(C)CC[CH]2[C]4(C)C=CC(=O)C=C14;CCC#CCOC1CC2C3CCC(=O)C3(CCC2C4(C1=CC(=O)C=C4)C)C","InChI=1S/C24H30O3/c1-4-5-6-13-27-21-15-17-18-7-8-22(26)24(18,3)12-10-19(17)23(2)11-9-16(25)14-20(21)23/h9,11,14,17-19,21H,4,7-8,10,12-13,15H2,1-3H3/t17-,18-,19-,21+,23+,24-/m0/s1","","2012-08-28","2012-09-07","(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione","2012-09-07"],["EMX","4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid","C20 H18 O8","OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O;c1cc(ccc1C(=O)O)C(=O)OCCCCOC(=O)c2ccc(cc2)C(=O)O","InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24)","4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid","2023-06-15","2023-11-24","4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid","2023-11-29"],["0XL","2-amino-2-ethylbutanoic acid","C6 H13 N O2","O=C(O)C(N)(CC)CC;CCC(N)(CC)C(O)=O;CCC(CC)(C(=O)O)N","InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)","","2012-08-29","2024-09-27","2-amino-2-ethylbutanoic acid","2013-07-31"],["EMY","S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate","C19 H16 Cl N3 O2 S","Clc1nc(NCc2ccc(O)cc2)cc(SC(=O)Cc2ccccc2)n1;Oc1ccc(CNc2cc(SC(=O)Cc3ccccc3)nc(Cl)n2)cc1;c1ccc(cc1)CC(=O)Sc2cc(nc(n2)Cl)NCc3ccc(cc3)O","InChI=1S/C19H16ClN3O2S/c20-19-22-16(21-12-14-6-8-15(24)9-7-14)11-17(23-19)26-18(25)10-13-4-2-1-3-5-13/h1-9,11,24H,10,12H2,(H,21,22,23)","","2021-12-09","2022-06-17","S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate","2022-06-22"],["0XM","1,1-diphenylmethanamine","C13 H13 N","c1(ccccc1)C(N)c2ccccc2;NC(c1ccccc1)c2ccccc2;c1ccc(cc1)C(c2ccccc2)N","InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2","","2012-08-29","2024-09-27","1,1-diphenylmethanamine","2013-07-31"],["EMZ","6-O-methyl-beta-D-galactopyranose","C7 H14 O6","COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;COCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1","6-O-Methyl-D-galactopyranose; 6-O-methyl-beta-D-galactose; 6-O-methyl-D-galactose; 6-O-methyl-galactose","2018-04-02","2020-07-17","(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol","2018-11-21"],["0XN","1,1-bis(4-fluorophenyl)methanamine","C13 H11 F2 N","Fc1ccc(cc1)C(N)c2ccc(F)cc2;NC(c1ccc(F)cc1)c2ccc(F)cc2;c1cc(ccc1C(c2ccc(cc2)F)N)F","InChI=1S/C13H11F2N/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H,16H2","","2012-08-29","2024-09-27","1,1-bis(4-fluorophenyl)methanamine","2013-07-31"],["EN0","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(Z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","C14 H21 F N4 O11 P3 S","Cc2ncc(C[n+]1c(c(sc1/C(O)=C(F)P(O)(O)=O)CCOP(=O)(O)OP(O)(=O)O)C)c(n2)N;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2C(O)=C(F)[P](O)(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=C(F)P(=O)(O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C14H20FN4O11P3S/c1-7-10(3-4-29-33(27,28)30-32(24,25)26)34-14(11(20)12(15)31(21,22)23)19(7)6-9-5-17-8(2)18-13(9)16/h5H,3-4,6H2,1-2H3,(H7-,16,17,18,20,21,22,23,24,25,26,27,28)/p+1","","2015-08-13","2016-07-15","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(Z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","2016-07-20"],["0XO","2-methyl-D-lysine","C7 H16 N2 O2","O=C(O)C(N)(CCCCN)C;C[C](N)(CCCCN)C(O)=O;CC(CCCCN)(C(=O)O)N","InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)/t7-/m1/s1","","2012-08-29","2024-09-27","2-methyl-D-lysine","2014-02-19"],["EN1","(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid","C9 H8 O4","O=C(O)C(/O)=Cc1ccc(O)cc1;OC(=O)C(O)=Cc1ccc(O)cc1;c1cc(ccc1C=C(C(=O)O)O)O","InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+","","2009-09-11","2011-06-04","(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid",""],["0XP","2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide","C17 H11 Cl2 F N4 O2","O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cc(C#N)cc2Cl)C3CC3F;F[CH]1C[CH]1C(=O)Nc2cc(NC(=O)c3c(Cl)cc(cc3Cl)C#N)ccn2;c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3F","InChI=1S/C17H11Cl2FN4O2/c18-11-3-8(7-21)4-12(19)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-13(10)20/h1-5,10,13H,6H2,(H2,22,23,24,25,26)/t10-,13+/m0/s1","","2012-08-29","2013-05-24","2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide","2013-05-29"],["EN2","~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","C17 H18 F N3 O3","CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(F)cc2;CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F","InChI=1S/C17H18FN3O3/c1-21-11-13(5-8-15(21)22)17(24)20-10-2-9-19-16(23)12-3-6-14(18)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,23)(H,20,24)","","2018-01-10","2018-05-25","~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","2018-05-30"],["0XQ","(2R)-2,8-diamino-2-methyloctanoic acid","C9 H20 N2 O2","O=C(O)C(N)(CCCCCCN)C;C[C](N)(CCCCCCN)C(O)=O;CC(CCCCCCN)(C(=O)O)N","InChI=1S/C9H20N2O2/c1-9(11,8(12)13)6-4-2-3-5-7-10/h2-7,10-11H2,1H3,(H,12,13)/t9-/m1/s1","","2012-08-29","2024-09-27","(2R)-2,8-diamino-2-methyloctanoic acid","2014-02-19"],["EN3","(E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione","C32 H34 N6 O4 S","O=C1Cc2cccc(OCCC=CCCOc3cccc(CC(=O)Nc4ccc(CCCCc5sc(N1)nn5)nn4)c3)c2;c1cc2cc(c1)OCCC=CCCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2","InChI=1S/C32H34N6O4S/c39-29-21-23-9-7-12-26(19-23)41-17-5-1-2-6-18-42-27-13-8-10-24(20-27)22-30(40)34-32-38-37-31(43-32)14-4-3-11-25-15-16-28(33-29)36-35-25/h1-2,7-10,12-13,15-16,19-20H,3-6,11,14,17-18,21-22H2,(H,33,36,39)(H,34,38,40)/b2-1+","","2020-01-16","2021-01-08","","2021-01-13"],["0XR","ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","C11 H12 O4","O=C(OCC)C=Cc1cc(O)c(O)cc1;CCOC(=O)C=Cc1ccc(O)c(O)c1;CCOC(=O)C=Cc1ccc(c(c1)O)O","InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+","ethyl caffeate","2012-08-31","2021-03-01","ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","2012-10-19"],["EN4","[cyclopentyl(hydroxy)amino](oxo)acetic acid","C7 H11 N O4","C(C(=O)N(C1CCCC1)O)(O)=O;ON(C1CCCC1)C(=O)C(O)=O;C1CCC(C1)N(C(=O)C(=O)O)O","InChI=1S/C7H11NO4/c9-6(7(10)11)8(12)5-3-1-2-4-5/h5,12H,1-4H2,(H,10,11)","","2018-01-22","2019-01-25","[cyclopentyl(hydroxy)amino](oxo)acetic acid","2019-01-30"],["0XS","2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide","C10 H6 Br F3 N4 O","FC(F)(F)c2nc1nc(c(cc1cc2Br)C(=O)N)N;NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F;c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br","InChI=1S/C10H6BrF3N4O/c11-5-2-3-1-4(8(16)19)7(15)18-9(3)17-6(5)10(12,13)14/h1-2H,(H2,16,19)(H2,15,17,18)","","2012-08-31","2012-10-05","2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide","2012-10-05"],["EN5","N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide","C27 H53 N5 O4","O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCN;NCCCCCCCCCC(=O)N[CH](CO)C(=O)N[CH](CCCCN)C(=O)NCCC1CCCCC1;C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCCN","InChI=1S/C27H53N5O4/c28-18-11-5-3-1-2-4-9-16-25(34)31-24(21-33)27(36)32-23(15-10-12-19-29)26(35)30-20-17-22-13-7-6-8-14-22/h22-24,33H,1-21,28-29H2,(H,30,35)(H,31,34)(H,32,36)/t23-,24-/m0/s1","","2013-09-23","2014-09-19","N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide","2014-09-24"],["EN6","N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide","C24 H22 F3 N3 O3 S","Cc1nn(c(CO)c1C(=O)NCCO)c2cccc3cc(Cc4cccc(c4)C(F)(F)F)sc23;Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO","InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)","","2020-01-16","2020-02-21","~{N}-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide","2020-02-26"],["0XT","7-methoxy-6-methylpteridine-2,4-diamine","C8 H10 N6 O","n1c2c(nc(OC)c1C)nc(nc2N)N;COc1nc2nc(N)nc(N)c2nc1C;Cc1c(nc2c(n1)c(nc(n2)N)N)OC","InChI=1S/C8H10N6O/c1-3-7(15-2)13-6-4(11-3)5(9)12-8(10)14-6/h1-2H3,(H4,9,10,12,13,14)","","2012-08-31","2012-10-05","7-methoxy-6-methylpteridine-2,4-diamine","2012-10-05"],["0XU","(2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid","C15 H21 N7 O5","O=C(O)C(N)CCC(N)C=C3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC[CH](N)C(O)=O)C=C1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(=CC(CCC(C(=O)O)N)N)O3)O)O)N","InChI=1S/C15H21N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h3-7,10-11,14,23-24H,1-2,16-17H2,(H,25,26)(H2,18,19,20)/b8-3+/t6-,7-,10+,11+,14+/m0/s1","","2012-09-04","2012-10-12","(2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid","2012-10-12"],["EN7","Safracin A","C28 H36 N4 O6","COc1c(C)cc2C[CH]3CN4[CH](CC5=C([CH]4CNC(=O)[CH](C)N)C(=O)C(=C(C)C5=O)OC)[CH](N3C)c2c1O;Cc1cc2c(c(c1OC)O)C3C4CC5=C(C(N4CC(C2)N3C)CNC(=O)C(C)N)C(=O)C(=C(C5=O)C)OC","InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1","","2022-04-21","2023-02-03","","2023-02-08"],["0XV","(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone","C18 H16 O3","O=C(c1c2ccccc2oc1C)c3cc(c(O)c(c3)C)C;Cc1oc2ccccc2c1C(=O)c3cc(C)c(O)c(C)c3;Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C","InChI=1S/C18H16O3/c1-10-8-13(9-11(2)17(10)19)18(20)16-12(3)21-15-7-5-4-6-14(15)16/h4-9,19H,1-3H3","","2012-09-05","2012-11-09","(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone","2012-11-09"],["EN8","(2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine","C12 H17 N O4","CO[C]1(C)Oc2ccc(N)cc2O[C]1(C)OC;CC1(C(Oc2cc(ccc2O1)N)(C)OC)OC","InChI=1S/C12H17NO4/c1-11(14-3)12(2,15-4)17-10-7-8(13)5-6-9(10)16-11/h5-7H,13H2,1-4H3/t11-,12-/m1/s1","","2018-04-02","2018-04-06","(2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine","2018-04-11"],["0XW","(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate","C7 H13 N O3","O=C([O-])C1[N+](C)(C)CC(O)C1;C[N+]1(C)C[CH](O)C[CH]1C([O-])=O;C[N+]1(CC(CC1C(=O)[O-])O)C","InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1","Betonicine; L-4-Hydroxyproline betaine","2012-09-17","2020-05-26","(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate","2012-10-05"],["EN9","(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide","C20 H17 Cl F4 N4 O4 S","NC(=O)[CH](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3;c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)C(CCC(F)(F)F)C(=O)N)Cl","InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1","","2020-01-16","2021-01-22","(2~{R})-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide","2021-01-27"],["ENA","ETHENO-NAD","C23 H27 N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c6[nH]cc[n+]6cnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N","InChI=1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1","","2001-12-06","2012-01-05","[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methyl phosphate",""],["0XX","N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide","C54 H66 N8 O14 S2","O=S(=O)(N(OC(C)C)C(C(=O)NO)CCNC(=O)CCCNC(=O)c3cccc(C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5;CC(C)ON([CH](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[CH](N(OC(C)C)[S](=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)C(=O)NO)[S](=O)(=O)c4ccc(cc4)c5ccccc5;CC(C)ON(C(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5","InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48+","","2012-09-18","2013-04-19","N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide","2013-04-24"],["0XY","5-fluoro-N-acetyl-alpha-D-glucosamine","C8 H14 F N O6","FC1(OC(O)C(NC(=O)C)C(O)C1O)CO;CC(=O)N[CH]1[CH](O)O[C](F)(CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)(CO)F)O)O","InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1","N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide","2012-09-05","2024-09-27","N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)","2012-12-14"],["ENB","ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE","C29 H42 N4 O7","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)c2ccccc2)C(C)C;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](NC(=O)[CH](NC(=O)OC(C)(C)C)C(C)C)c2ccccc2;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(c2ccccc2)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","InChI=1S/C29H42N4O7/c1-7-39-22(34)14-13-21(17-20-15-16-30-25(20)35)31-27(37)24(19-11-9-8-10-12-19)32-26(36)23(18(2)3)33-28(38)40-29(4,5)6/h8-14,18,20-21,23-24H,7,15-17H2,1-6H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/b14-13+/t20-,21?,23-,24-/m0/s1","(E)-(S)-4-[(S)-2-((S)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-2-PHENYL-ACETYLAMINO]-5-(2-OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER","2004-08-16","2024-09-27","ethyl (2E,4S)-4-{[(2S)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylacetyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate",""],["ENC","ETHYL ISOCYANIDE","C3 H6 N","C#[N+]CC;CC[N+]#C;CC[N+]#C","InChI=1S/C3H6N/c1-3-4-2/h2H,3H2,1H3/q+1","","1999-07-08","2011-06-04","N-methylidyneethanaminium",""],["0XZ","4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide","C21 H25 Cl N6 O2","Clc1ccc(cc1)C(NC(=O)C4(N)CCN(c2ncnc3c2ccn3)CC4)CCO;NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[CH](CCO)c4ccc(Cl)cc4;c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl","InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1","","2012-09-07","2013-02-22","4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide","2013-02-22"],["END","1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL","C17 H24 O7","O2C(C(O)C=CC3OC1C(O)C4OCC=CCC4OC1CC23)CO;OC[CH]1O[CH]2C[CH]3O[CH]4CC=CCO[CH]4[CH](O)[CH]3O[CH]2C=C[CH]1O;C1C=CCOC2C1OC3CC4C(C=CC(C(O4)CO)O)OC3C2O","InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1","","2007-10-03","2024-09-27","1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol",""],["0Y0","5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine","C14 H21 N7 O5","O=C(O)C(N)CCNCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CCNC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNCCC(C(=O)O)N)O)O)N","InChI=1S/C14H21N7O5/c15-6(14(24)25)1-2-17-3-7-9(22)10(23)13(26-7)21-5-20-8-11(16)18-4-19-12(8)21/h4-7,9-10,13,17,22-23H,1-3,15H2,(H,24,25)(H2,16,18,19)/t6-,7+,9+,10+,13+/m0/s1","","2012-09-07","2014-02-21","5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine","2014-02-26"],["ENE","(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL","C22 H30 O8","O3C1C(OC(CO)C(O)C=CC1)C=CC4OC2C(O)C5OCC=CCC5OC2CC34;OC[CH]1O[CH]2C=C[CH]3O[CH]4[CH](C[CH]3O[CH]2CC=C[CH]1O)O[CH]5CC=CCO[CH]5[CH]4O;C1C=CCOC2C1OC3CC4C(C=CC5C(O4)CC=CC(C(O5)CO)O)OC3C2O","InChI=1S/C22H30O8/c23-11-19-12(24)4-3-6-13-14(28-19)7-8-15-17(27-13)10-18-22(30-15)20(25)21-16(29-18)5-1-2-9-26-21/h1-4,7-8,12-25H,5-6,9-11H2/b4-3-/t12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+/m0/s1","","2007-10-03","2011-06-04","(4Z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-L-arabino-L-allo-L-allo-docosa-4,9,20-trienitol",""],["0Y1","5'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine","C24 H30 N8 O5","O=C(O)C(N)CCN(CCc2c1ccccc1nc2)CC5OC(n4cnc3c(ncnc34)N)C(O)C5O;N[CH](CCN(CCc1c[nH]c2ccccc12)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1ccc2c(c1)c(c[nH]2)CCN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C24H30N8O5/c25-15(24(35)36)6-8-31(7-5-13-9-27-16-4-2-1-3-14(13)16)10-17-19(33)20(34)23(37-17)32-12-30-18-21(26)28-11-29-22(18)32/h1-4,9,11-12,15,17,19-20,23,27,33-34H,5-8,10,25H2,(H,35,36)(H2,26,28,29)/t15-,17+,19+,20+,23+/m0/s1","","2012-09-07","2014-02-21","5'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine","2014-02-26"],["0Y2","5'-{[(3S)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine","C24 H29 N7 O5 S","O=C(O)C(N)CCN(CC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CCc4c5ccccc5sc4;N[CH](CCN(CCc1csc2ccccc12)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1ccc2c(c1)c(cs2)CCN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C24H29N7O5S/c25-15(24(34)35)6-8-30(7-5-13-10-37-17-4-2-1-3-14(13)17)9-16-19(32)20(33)23(36-16)31-12-29-18-21(26)27-11-28-22(18)31/h1-4,10-12,15-16,19-20,23,32-33H,5-9,25H2,(H,34,35)(H2,26,27,28)/t15-,16+,19+,20+,23+/m0/s1","","2012-09-07","2014-02-21","5'-{[(3S)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine","2014-02-26"],["ENF","N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide","C41 H79 N5 O5","O=C(NCCCC/C=C/CCCC(=O)NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCC/C=C/CCCC;CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[CH](CO)C(=O)N[CH](CCCCN)C(=O)NCCC1CCCCC1;CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCCC1CCCCC1","InChI=1S/C41H75N5O5/c1-2-3-4-5-6-7-8-9-11-14-20-28-38(48)43-32-24-16-13-10-12-15-21-29-39(49)45-37(34-47)41(51)46-36(27-22-23-31-42)40(50)44-33-30-35-25-18-17-19-26-35/h5-6,10,12,35-37,47H,2-4,7-9,11,13-34,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)(H,46,51)/b6-5+,12-10+/t36-,37-/m0/s1","","2013-09-23","2014-09-19","N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide","2014-09-24"],["0Y3","N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide","C54 H66 N8 O14 S2","O=S(=O)(N(OC(C)C)C(C(=O)NO)CCNC(=O)CCCNC(=O)c3cccc(C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5;CC(C)ON([CH](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[CH](N(OC(C)C)[S](=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)C(=O)NO)[S](=O)(=O)c4ccc(cc4)c5ccccc5;CC(C)ON(C(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5","InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48-/m1/s1","","2012-09-18","2013-04-19","N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide","2013-04-24"],["ENG","(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid","C10 H7 Br O5","c1cc(O)cc(c1C([C@H]=C(C(O)=O)O)=O)Br;Oc1ccc(c(Br)c1)C(=O)C=C(O)C(O)=O;c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O","InChI=1S/C10H7BrO5/c11-7-3-5(12)1-2-6(7)8(13)4-9(14)10(15)16/h1-4,12,14H,(H,15,16)/b9-4-","","2018-01-23","2018-08-31","(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid","2018-09-05"],["0Y4","N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide","C20 H19 N9 O","O=C(Nc1c(ccc(c1)Nc2nc4c(C#N)cnn4c(c2)Nc3ncn(c3)C)C)C;Cn1cnc(Nc2cc(Nc3ccc(C)c(NC(C)=O)c3)nc4n2ncc4C#N)c1;Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C","InChI=1S/C20H19N9O/c1-12-4-5-15(6-16(12)24-13(2)30)25-17-7-19(26-18-10-28(3)11-22-18)29-20(27-17)14(8-21)9-23-29/h4-7,9-11,26H,1-3H3,(H,24,30)(H,25,27)","","2012-09-07","2013-09-20","N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide","2013-09-25"],["ENH","1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE","C10 H5 Cl6 N O2","ClC1=C(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C2C(=O)N(C(=O)C23)C;CN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl;CN1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H5Cl6NO2/c1-17-6(18)2-3(7(17)19)9(14)5(12)4(11)8(2,13)10(9,15)16/h2-3H,1H3/t2-,3+,8+,9-","","1999-07-27","2011-06-04","(3aR,4S,7R,7aS)-4,5,6,7,8,8-hexachloro-2-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",""],["0Y5","4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid","C25 H24 F3 N3 O5","FC(F)(F)c4cc(Oc1cc(ccc1C(=O)O)CN3CCCC(N2C=C(C(=O)NC2=O)C)C3)ccc4;CC1=CN([CH]2CCCN(C2)Cc3ccc(C(O)=O)c(Oc4cccc(c4)C(F)(F)F)c3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O","InChI=1S/C25H24F3N3O5/c1-15-12-31(24(35)29-22(15)32)18-5-3-9-30(14-18)13-16-7-8-20(23(33)34)21(10-16)36-19-6-2-4-17(11-19)25(26,27)28/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3,(H,33,34)(H,29,32,35)/t18-/m0/s1","","2012-09-10","2012-10-19","4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid","2012-10-19"],["ENJ","(4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid","C12 H16 N O11 P S3","O=C(C1=CN(C=C(C=S)C1S(=O)(=O)O)C2OC(C(C2O)O)COP(O)(O)=O)S;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=S)[CH](C(=C2)C(S)=O)[S](O)(=O)=O;C1=C(C(C(=CN1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S","InChI=1S/C12H16NO11PS3/c14-8-7(3-23-25(17,18)19)24-11(9(8)15)13-1-5(4-26)10(28(20,21)22)6(2-13)12(16)27/h1-2,4,7-11,14-15H,3H2,(H,16,27)(H2,17,18,19)(H,20,21,22)/t7-,8-,9-,10-,11-/m1/s1","","2018-01-23","2024-09-27","(4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid","2018-03-14"],["ENK","(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine","C9 H9 N3 O","NCc1onc(n1)c2ccccc2;c1ccc(cc1)c2nc(on2)CN","InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2","","2018-04-02","2018-04-06","(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine","2018-04-11"],["0Y7","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid","C23 H25 Cl2 N O4","O=C(O)CC3C(=O)N(C(CO)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3;CC[CH](CO)N1[CH]([CH](C[CH](CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3;CCC(CO)N1C(C(CC(C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C23H25Cl2NO4/c1-2-19(13-27)26-22(14-6-8-17(24)9-7-14)20(15-4-3-5-18(25)10-15)11-16(23(26)30)12-21(28)29/h3-10,16,19-20,22,27H,2,11-13H2,1H3,(H,28,29)/t16-,19+,20-,22-/m1/s1","","2012-10-02","2012-10-12","{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid","2012-10-12"],["0Y8","(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline","C14 H13 Br N2 O3","O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3;OC(=O)[CH]1C[CH](CN1)Oc2nccc3ccc(Br)cc23;c1cc(cc2c1ccnc2OC3CC(NC3)C(=O)O)Br","InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1","","2012-09-12","2024-09-27","(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline","2012-12-07"],["ENL","(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","C8 H10 O5","O=C(O)C1C(C(=O)O)C2OC1CC2;OC(=O)[CH]1[CH]2CC[CH](O2)[CH]1C(O)=O;C1CC2C(C(C1O2)C(=O)O)C(=O)O","InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+","Endothall","2009-05-07","2020-06-17","(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",""],["0Y9","(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid","C6 H9 N O2","O=C(O)C1(N)CC1C=C;N[C]1(C[CH]1C=C)C(O)=O;C=CC1CC1(C(=O)O)N","InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6-/m1/s1","","2012-09-12","2024-09-27","(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid",""],["ENM","(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE","C27 H36 F2 O3","Fc1cc(cc(F)c1)COCCC35C(C2CCC4C(C2CC3)(C)CCC(=O)C4)CCC5O;C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(CCOCc5cc(F)cc(F)c5)[CH](O)CC[CH]34;CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)CCOCc5cc(cc(c5)F)F","InChI=1S/C27H36F2O3/c1-26-8-6-21(30)14-18(26)2-3-22-23(26)7-9-27(24(22)4-5-25(27)31)10-11-32-16-17-12-19(28)15-20(29)13-17/h12-13,15,18,22-25,31H,2-11,14,16H2,1H3/t18-,22+,23-,24-,25-,26-,27+/m0/s1","","2007-05-02","2011-06-04","(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",""],["0YA","cyclopropanesulfonamide","C3 H7 N O2 S","O=S(=O)(N)C1CC1;N[S](=O)(=O)C1CC1;C1CC1S(=O)(=O)N","InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6)","","2012-09-12","2024-09-27","cyclopropanesulfonamide","2012-12-07"],["ENN","~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide","C11 H14 Cl2 N2 O3 S","CCCCNC(=O)c1cc(c(Cl)cc1Cl)[S](N)(=O)=O;CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N","InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)","","2018-04-02","2019-03-08","~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide","2019-03-13"],["ENO","3-(4-HYDROXY-PHENYL)PYRUVIC ACID","C9 H8 O4","O=C(O)C(=O)Cc1ccc(O)cc1;OC(=O)C(=O)Cc1ccc(O)cc1;c1cc(ccc1CC(=O)C(=O)O)O","InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)","HPP","1999-07-08","2024-09-27","3-(4-hydroxyphenyl)-2-oxopropanoic acid",""],["0YB","2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","C29 H34 Br N3 O5","O=C(O)c2ccc(cc2Oc1cccc(Br)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC(C)(C)C;CC1=CN([CH]2CCCN(C2)[CH](CC(C)(C)C)c3ccc(C(O)=O)c(Oc4cccc(Br)c4)c3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCCN(C2)C(CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O","InChI=1S/C29H34BrN3O5/c1-18-16-33(28(37)31-26(18)34)21-8-6-12-32(17-21)24(15-29(2,3)4)19-10-11-23(27(35)36)25(13-19)38-22-9-5-7-20(30)14-22/h5,7,9-11,13-14,16,21,24H,6,8,12,15,17H2,1-4H3,(H,35,36)(H,31,34,37)/t21-,24+/m0/s1","","2012-10-04","2012-10-19","2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","2012-10-19"],["0YC","1-(pyridin-3-yl)methanamine","C6 H8 N2","n1cccc(c1)CN;NCc1cccnc1;c1cc(cnc1)CN","InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2","","2012-09-12","2012-09-17","1-(pyridin-3-yl)methanamine",""],["ENP","ETHENO-NADP","C17 H24 N5 O17 P3","O=P(O)(O)OC4C(O)C(OC4n2c3ncn1ccnc1c3nc2)COP(=O)(O)OP(=O)(O)OCC5OC(O)C(O)C5O;O[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O[P](O)(O)=O)[CH]2O)n3cnc4c5nccn5cnc34)[CH](O)[CH]1O;c1cn2cnc3c(c2n1)ncn3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)O)O)O)O)OP(=O)(O)O","InChI=1S/C17H24N5O17P3/c23-10-7(37-17(26)12(10)25)3-34-41(30,31)39-42(32,33)35-4-8-11(24)13(38-40(27,28)29)16(36-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-26H,3-4H2,(H,30,31)(H,32,33)(H2,27,28,29)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1","","2001-12-06","2011-06-04","[(2R,3R,4R,5R)-3-hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["ENQ","[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate","C17 H22 N5 O14 P2","O[CH]1O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c5[nH]cc[n+]5cnc34)[CH](O)[CH]1O;c1c[n+]2cnc3c(c2[nH]1)ncn3C4C(C(C(O4)COP(=O)([O-])OP(=O)([O-])OCC5C(C(C(O5)O)O)O)O)O","InChI=1S/C17H23N5O14P2/c23-10-7(3-32-37(28,29)36-38(30,31)33-4-8-11(24)13(26)17(27)35-8)34-16(12(10)25)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-27H,3-4H2,(H2,28,29,30,31)/p-1/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1","","2009-12-17","2012-01-05","[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate",""],["0YD","3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid","C18 H14 Cl N O3","Clc3cccc(c2ccc(c1noc(c1)CCC(=O)O)cc2)c3;OC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O","InChI=1S/C18H14ClNO3/c19-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17-11-16(23-20-17)8-9-18(21)22/h1-7,10-11H,8-9H2,(H,21,22)","","2012-09-13","2012-09-13","3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid",""],["0YE","3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid","C12 H11 N O3","O=C(O)CCc2onc(c1ccccc1)c2;OC(=O)CCc1onc(c1)c2ccccc2;c1ccc(cc1)c2cc(on2)CCC(=O)O","InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(13-16-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)","","2012-09-13","2012-09-13","3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid",""],["ENR","9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide","C27 H30 N2 O4 S","CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC;CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC","InChI=1S/C27H30N2O4S/c1-5-29-25-13-9-20(15-23(25)24-16-21(33-18(3)4)10-14-26(24)29)27(30)28-17-19-7-11-22(12-8-19)34(31,32)6-2/h7-16,18H,5-6,17H2,1-4H3,(H,28,30)","","2020-01-17","2021-01-01","9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide","2021-01-06"],["ENS","methyl\n(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate","C25 H29 Cl N6 O4","N#C/C(C(=O)OC)=C(NC2C(=O)N(CC(=O)N1CCCC1)CCCC2)Nc3cccc4c3ncc4Cl;COC(=O)C(C#N)=C(N[CH]1CCCCN(CC(=O)N2CCCC2)C1=O)Nc3cccc4c(Cl)c[nH]c34;COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)NC3CCCCN(C3=O)CC(=O)N4CCCC4)C#N","InChI=1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,20,28-30H,2-5,8,10-12,15H2,1H3/b23-17+/t20-/m0/s1","methyl\n(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-e\nnoate","2008-09-29","2020-06-17","methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-enoate",""],["0YF","3-(biphenyl-4-yl)propanoic acid","C15 H14 O2","O=C(O)CCc1ccc(cc1)c2ccccc2;OC(=O)CCc1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)CCC(=O)O","InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)","","2012-09-13","2012-09-13","3-(biphenyl-4-yl)propanoic acid",""],["0YG","N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine","C11 H12 N2 O4","NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O;c1cc(ccc1C=C(C(=O)NCC(=O)O)N)O","InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-","","2010-02-16","2024-09-27","2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid",""],["ENT","3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER","C16 H23 N3 O6 S","O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2;CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)OC(C)(C)C;CC(C)(C)OC(=O)N1Cc2cc(ccc2CC1C(=O)NC)NS(=O)(=O)O","InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m1/s1","","2005-12-01","2011-06-04","[(3R)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid",""],["ENU","6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide","C30 H34 N2 O4 S","CCn1c2ccc(OC3CCCCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC;CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC","InChI=1S/C30H34N2O4S/c1-3-32-28-16-12-22(30(33)31-20-21-10-14-25(15-11-21)37(34,35)4-2)18-26(28)27-19-24(13-17-29(27)32)36-23-8-6-5-7-9-23/h10-19,23H,3-9,20H2,1-2H3,(H,31,33)","","2020-01-17","2021-01-01","6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide","2021-01-06"],["0YH","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea","C26 H30 N6 O2","O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)Nc3cc(nn3)c4c(cc(OC)cc4)C;COc1ccc(c(C)c1)c2cc([nH]n2)NC(=O)Nc3cc(nn3c4ccc(C)cc4)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC","InChI=1S/C26H30N6O2/c1-16-7-9-18(10-8-16)32-24(15-22(31-32)26(3,4)5)28-25(33)27-23-14-21(29-30-23)20-12-11-19(34-6)13-17(20)2/h7-15H,1-6H3,(H3,27,28,29,30,33)","","2012-09-13","2012-11-23","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea","2012-11-23"],["ENV","(2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide","C14 H25 F N2 O5","O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCCC(=O)CF;CC(C)(CO)C(C(=O)NCCC(=O)NCCCC(=O)CF)O","InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1","Fluoroacetyl carba(dethia)-pantetheine","2009-12-16","2020-06-17","(2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide",""],["0YI","3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide","C12 H11 Cl N4 O","NC(=O)c1nccnc1NCc2ccccc2Cl;c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl","InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17)","","2021-06-09","2021-07-23","3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide","2021-07-28"],["ENW","2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate","C13 H23 F N2 O6","O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CF;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCOC(=O)CF;CC(C)(CO)C(C(=O)NCCC(=O)NCCOC(=O)CF)O","InChI=1S/C13H23FN2O6/c1-13(2,8-17)11(20)12(21)16-4-3-9(18)15-5-6-22-10(19)7-14/h11,17,20H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t11-/m1/s1","Fluoroacetyl oxa(dethia)-pantetheine","2009-12-17","2020-06-17","2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate",""],["0YJ","7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide","C27 H32 N6 O2","O=C(NC(C)C)c2cc1cccc(c1n2)NC(=O)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C;CC(C)NC(=O)c1[nH]c2c(NC(=O)Nc3cc(nn3c4ccc(C)cc4)C(C)(C)C)cccc2c1;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C","InChI=1S/C27H32N6O2/c1-16(2)28-25(34)21-14-18-8-7-9-20(24(18)29-21)30-26(35)31-23-15-22(27(4,5)6)32-33(23)19-12-10-17(3)11-13-19/h7-16,29H,1-6H3,(H,28,34)(H2,30,31,35)","","2012-09-13","2012-11-23","7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide","2012-11-23"],["0YK","7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide","C19 H23 N3 O3 S","CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3;CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4","InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3","","2021-06-17","2021-07-23","9-(4-cyclohexyloxyphenyl)-7-methyl-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine 2,2-dioxide","2021-07-28"],["ENX","ENACYLOXIN IIA","C33 H45 Cl2 N O11","O=C(OC1CC(C(=O)O)CCC1O)C=CC=CC(=CC=CC=C(/Cl)C(C)C(O)C(O)C(=O)CC(O)C(Cl)C(OC(=O)N)/C=C/CC)C;CCC=C[CH](OC(N)=O)[CH](Cl)[CH](O)CC(=O)[CH](O)[CH](O)[CH](C)C(Cl)=CC=CC=C(C)C=CC=CC(=O)O[CH]1C[CH](CC[CH]1O)C(O)=O;CCC=CC(C(C(CC(=O)C(C(C(C)C(=CC=CC=C(C)C=CC=CC(=O)OC1CC(CCC1O)C(=O)O)Cl)O)O)O)Cl)OC(=O)N","InChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1","","2005-06-30","2012-01-05","(1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy}-4-hydroxycyclohexanecarboxylic acid",""],["0YL","(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid","C25 H20 Br Cl N O5 P","Brc1ccc(cc1)P(=O)(O)CC(C(=O)O)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4;OC(=O)[CH](Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3)C[P](O)(=O)c4ccc(Br)cc4;c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CC(CP(=O)(c4ccc(cc4)Br)O)C(=O)O","InChI=1S/C25H20BrClNO5P/c26-20-8-10-23(11-9-20)34(31,32)15-19(25(29)30)13-22-14-24(28-33-22)17-6-4-16(5-7-17)18-2-1-3-21(27)12-18/h1-12,14,19H,13,15H2,(H,29,30)(H,31,32)/t19-/m1/s1","","2012-09-14","2013-02-01","(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid","2013-02-01"],["ENY","(2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid","C15 H12 O5","c1(C(/C=C(/C(O)=O)O)=O)ccc2cc(ccc2c1)OC;COc1ccc2cc(ccc2c1)C(=O)C=C(O)C(O)=O;COc1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O","InChI=1S/C15H12O5/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13(16)8-14(17)15(18)19/h2-8,17H,1H3,(H,18,19)/b14-8-","","2018-01-23","2018-08-31","(2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid","2018-09-05"],["0YN","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol","C13 H17 N3 O S","n1c(c(cnc1C)Cc2c(c(sc2)CCO)C)N;Cc1ncc(Cc2csc(CCO)c2C)c(N)n1;Cc1c(csc1CCO)Cc2cnc(nc2N)C","InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)","","2012-10-08","2013-09-27","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol","2013-10-02"],["ENZ","(4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one","C15 H15 N3 O","C[CH]1NN(C(=O)[CH]1c2ccccc2)c3ccccn3;CC1C(C(=O)N(N1)c2ccccn2)c3ccccc3","InChI=1S/C15H15N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-11,14,17H,1H3/t11-,14+/m1/s1","","2018-04-03","2019-04-05","(4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one","2019-04-10"],["EO0","9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide","C24 H24 N2 O3 S","CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC;CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC","InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)","","2020-01-17","2021-01-01","9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide","2021-01-06"],["0YO","2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","C21 H17 N5 O2","O=C2c1cc(nc1CCN2)c3nc(ncc3OC)c4cc5ccccc5nc4;COc1cnc(nc1c2[nH]c3CCNC(=O)c3c2)c4cnc5ccccc5c4;COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4","InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)","","2012-10-11","2012-11-16","2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","2012-11-16"],["0YP","N-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide","C22 H22 Br N3 O5","O=C(C(=C(Br)c1ccccc1OC)NC(=O)c2ccc([N+]([O-])=O)cc2)N3CCCCC3;COc1ccccc1C(Br)=C(NC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)N3CCCCC3;COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br","InChI=1S/C22H22BrN3O5/c1-31-18-8-4-3-7-17(18)19(23)20(22(28)25-13-5-2-6-14-25)24-21(27)15-9-11-16(12-10-15)26(29)30/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,24,27)","","2012-09-14","2013-10-08","N-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide","2013-07-24"],["EO1","7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine","C25 H23 N7 O2","c6(c(c1c(OC)cc5c(c1)nc2c5c(nc(n2)C)Nc4c3c(cccc3)n(C)n4)c(C)no6)C;COc1cc2c([nH]c3nc(C)nc(Nc4nn(C)c5ccccc45)c23)cc1c6c(C)onc6C;Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C","InChI=1S/C25H23N7O2/c1-12-21(13(2)34-31-12)17-10-18-16(11-20(17)33-5)22-24(28-18)26-14(3)27-25(22)29-23-15-8-6-7-9-19(15)32(4)30-23/h6-11H,1-5H3,(H2,26,27,28,29,30)","","2018-01-24","2018-07-27","7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine","2018-08-01"],["0YQ","2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)","C17 H23 N5 O11","O=C(O)CN(CC(=O)O)CC(=O)NCCNC(=O)C2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1N2C=CC(=O)NC2=O)C(=O)NCCNC(=O)CN(CC(O)=O)CC(O)=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O","InChI=1S/C17H23N5O11/c23-8-1-4-22(17(32)20-8)16-13(30)12(29)14(33-16)15(31)19-3-2-18-9(24)5-21(6-10(25)26)7-11(27)28/h1,4,12-14,16,29-30H,2-3,5-7H2,(H,18,24)(H,19,31)(H,25,26)(H,27,28)(H,20,23,32)/t12-,13+,14-,16+/m0/s1","","2012-09-14","2012-11-23","2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)","2012-11-23"],["EO2","4,5-Dehydro-L-leucine","C6 H11 N O2","CC(=C)C[CH](N)C(O)=O;CC(=C)CC(C(=O)O)N","InChI=1S/C6H11NO2/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H,8,9)/t5-/m0/s1","","2018-04-03","2024-09-27","(2~{S})-2-azanyl-4-methyl-pent-4-enoic acid","2018-10-17"],["0YR","(2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide","C5 H11 N O6","O=C(NO)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C(=O)NO;C(C(C(C(C(=O)NO)O)O)O)O","InChI=1S/C5H11NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10,12H,1H2,(H,6,11)/t2-,3-,4-/m1/s1","D-ribonohydroxamate","2012-09-17","2021-03-01","(2R,3R,4R)-N,2,3,4,5-pentahydroxypentanamide (non-preferred name)","2012-10-26"],["EO3","docosanoic acid","C22 H44 O2","CCCCCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)","Behenic acid","2020-01-17","2021-03-01","docosanoic acid","2020-11-25"],["0YS","(5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline","C18 H21 Cl2 N3 O9","O=C(O)C(N)C(O)C2(C(=O)O)NC(CC(NC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)O)CC2;N[CH]([CH](O)[C]1(CC[CH](C[CH](NC(=O)c2cc(Cl)c(O)c(Cl)c2)C(O)=O)N1)C(O)=O)C(O)=O;c1c(cc(c(c1Cl)O)Cl)C(=O)NC(CC2CCC(N2)(C(C(C(=O)O)N)O)C(=O)O)C(=O)O","InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1","(-)-kaitocephalin","2012-09-17","2021-03-01","(5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline","2012-10-12"],["EO4","N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine","C24 H25 N7 O2","c1(c(C)noc1C)c2cc6c(cc2OC)c5c(nc(nc5Nc3n(nc(c3)C4CC4)C)C)n6;COc1cc2c([nH]c3nc(C)nc(Nc4cc(nn4C)C5CC5)c23)cc1c6c(C)onc6C;Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C","InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)","","2018-01-24","2018-07-27","N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine","2018-08-01"],["0YT","2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose","C8 H15 N O5 S","O=C(NC1C(O)C(O)C(SC1O)CO)C;CC(=O)N[CH]1[CH](O)S[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(SC1O)CO)O)O","InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1","2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose; 2-acetamido-2-deoxy-5-thio-beta-D-glucose;\n2-acetamido-2-deoxy-5-thio-D-glucose; 2-acetamido-2-deoxy-5-thio-glucose","2012-09-18","2024-09-27","2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose","2012-10-26"],["EO5","~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[\n2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide","C28 H26 N8 O4 S","C[CH](Nc1ncnc2[nH]cc(c3cc(O)cc(N[S](C)(=O)=O)c3)c12)C4=Nn5ccc(C)c5C(=O)N4c6ccccc6;Cc1ccn2c1C(=O)N(C(=N2)C(C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6","InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1","LASW1976","2018-04-03","2020-06-17","~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide","2018-11-07"],["0YU","N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide","C26 H21 N7 O4","[O-][N+](=O)c3c(C(=O)Nc2ccc(c1nccn1)cc2)ccc(c3)C(=O)Nc5ccc(C4=NCCN4)cc5;[O-][N+](=O)c1cc(ccc1C(=O)Nc2ccc(cc2)c3[nH]ccn3)C(=O)Nc4ccc(cc4)C5=NCCN5;c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5","InChI=1S/C26H21N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,13-15H,11-12H2,(H,27,28)(H,29,30)(H,31,34)(H,32,35)","","2012-09-18","2012-12-14","N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide","2012-12-14"],["EO6","(1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C23 H37 N5 O8 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N","InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21+/m0/s1","","2021-12-10","2024-09-27","(1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["EO7","2-chloro-5'-O-sulfamoyladenosine","C10 H13 Cl N6 O6 S","c2n(c1c(c(nc(n1)Cl)N)n2)C3C(C(C(O3)COS(N)(=O)=O)O)O;Nc1nc(Cl)nc2n(cnc12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)COS(=O)(=O)N)O)O)Cl)N","InChI=1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1","","2018-01-24","2018-05-18","2-chloro-5'-O-sulfamoyladenosine","2018-05-23"],["0YV","2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine","C26 H22 Br2 N2","Brc3cc(C#Cc2cccc(C#Cc1cc(cc(Br)c1)CCN)c2)cc(c3)CCN;NCCc1cc(Br)cc(c1)C#Cc2cccc(c2)C#Cc3cc(Br)cc(CCN)c3;c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN","InChI=1S/C26H22Br2N2/c27-25-15-21(13-23(17-25)8-10-29)6-4-19-2-1-3-20(12-19)5-7-22-14-24(9-11-30)18-26(28)16-22/h1-3,12-18H,8-11,29-30H2","","2012-09-18","2012-12-14","2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine","2012-12-14"],["0YW","2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid","C24 H30 N2 O6","[O-][N+](=O)c1ccc(c(C(=O)O)c1)NC(=O)c2cc(OCCCCCCCCCC)ccc2;CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(O)=O)[N+]([O-])=O;CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]","InChI=1S/C24H30N2O6/c1-2-3-4-5-6-7-8-9-15-32-20-12-10-11-18(16-20)23(27)25-22-14-13-19(26(30)31)17-21(22)24(28)29/h10-14,16-17H,2-9,15H2,1H3,(H,25,27)(H,28,29)","","2012-09-18","2012-12-14","2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid","2012-12-14"],["EO8","4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid","C15 H9 N O7","OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O;c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O","InChI=1S/C15H9NO7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)","","2018-04-03","2019-04-05","4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid","2019-04-10"],["EO9","[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron","C9 H11 B F2 N O4","C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O;[B-](C(C)NC(=O)c1c(cccc1F)F)(O)(O)O","InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m1/s1","","2010-12-15","2024-09-27","[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron",""],["0YX","(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid","C21 H28 Br O5 P","Brc2cc(c(OCc1cccc(OCCCCCCCC)c1)cc2)P(=O)(O)O;CCCCCCCCOc1cccc(COc2ccc(Br)cc2[P](O)(O)=O)c1;CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br","InChI=1S/C21H28BrO5P/c1-2-3-4-5-6-7-13-26-19-10-8-9-17(14-19)16-27-20-12-11-18(22)15-21(20)28(23,24)25/h8-12,14-15H,2-7,13,16H2,1H3,(H2,23,24,25)","","2012-09-18","2012-12-14","(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid","2012-12-14"],["0YY","(2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid","C18 H24 O5","O=C(O)C(O)=CC(=O)c1ccc(OCCCCCCCC)cc1;CCCCCCCCOc1ccc(cc1)C(=O)C=C(O)C(O)=O;CCCCCCCCOc1ccc(cc1)C(=O)C=C(C(=O)O)O","InChI=1S/C18H24O5/c1-2-3-4-5-6-7-12-23-15-10-8-14(9-11-15)16(19)13-17(20)18(21)22/h8-11,13,20H,2-7,12H2,1H3,(H,21,22)/b17-13-","","2012-09-18","2012-12-14","(2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid","2012-12-14"],["EOA","N-PHENETHYL-FORMAMIDE","C9 H11 N O","O=CNCCc1ccccc1;O=CNCCc1ccccc1;c1ccc(cc1)CCNC=O","InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)","","1999-07-08","2011-06-04","N-(2-phenylethyl)formamide",""],["0YZ","(2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid","C20 H28 O5","O=C(O)C(O)=CC(=O)c1cc(OCCCCCCCCCC)ccc1;CCCCCCCCCCOc1cccc(c1)C(=O)C=C(O)C(O)=O;CCCCCCCCCCOc1cccc(c1)C(=O)C=C(C(=O)O)O","InChI=1S/C20H28O5/c1-2-3-4-5-6-7-8-9-13-25-17-12-10-11-16(14-17)18(21)15-19(22)20(23)24/h10-12,14-15,22H,2-9,13H2,1H3,(H,23,24)/b19-15-","","2012-09-18","2012-12-14","(2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid","2012-12-14"],["EOB","{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)","C10 H14 N2 O8 P2","O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O;O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1;c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O","InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20)","2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID","2006-02-17","2021-03-13","{benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)",""],["0Z0","N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide","C21 H19 F6 N3 O3","O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)Cc2ccccc2)C;C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C(F)(F)F)C(=O)Nc2ccc(cc2)C(F)(F)F","InChI=1S/C21H19F6N3O3/c1-12(17(31)29-15-9-7-14(8-10-15)20(22,23)24)28-18(32)16(30-19(33)21(25,26)27)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t12-,16-/m0/s1","TFAP","2008-07-30","2021-03-01","N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide",""],["EOC","(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","C23 H31 N3 O4","CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C=Cc2ccccc2","InChI=1S/C23H31N3O4/c1-16(2)13-20(26-21(28)11-10-17-7-4-3-5-8-17)23(30)25-19(15-27)14-18-9-6-12-24-22(18)29/h3-5,7-8,10-11,15-16,18-20H,6,9,12-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b11-10+/t18-,19-,20-/m0/s1","","2020-01-17","2020-05-22","(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","2020-05-27"],["0Z1","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide","C22 H32 F3 N4 O3","O=C(Nc1ccc(cc1)C(C)C)C2N(C(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])CCC2;CC(C)c1ccc(NC(=O)[CH]2CCCN2C(=O)[CH](CCCC[NH3+])NC(=O)C(F)(F)F)cc1;CC(C)c1ccc(cc1)NC(=O)C2CCCN2C(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F","InChI=1S/C22H31F3N4O3/c1-14(2)15-8-10-16(11-9-15)27-19(30)18-7-5-13-29(18)20(31)17(6-3-4-12-26)28-21(32)22(23,24)25/h8-11,14,17-18H,3-7,12-13,26H2,1-2H3,(H,27,30)(H,28,32)/p+1/t17-,18-/m0/s1","","2008-07-30","2011-07-13","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide",""],["EOD","11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID","C18 H34 O3","O=C(O)CCCCCCCCCCC1OC1CCCCC;CCCCC[CH]1O[CH]1CCCCCCCCCCC(O)=O;CCCCCC1C(O1)CCCCCCCCCCC(=O)O","InChI=1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1","(+-)-CIS-12,13-EPOXY-9(Z)-OCTADECANOIC ACID; LEUKOTOXIN B; (+-)-VERNOLIC ACID","2006-04-03","2020-05-27","11-[(2R,3S)-3-pentyloxiran-2-yl]undecanoic acid",""],["0Z2","N-(trifluoroacetyl)-L-leucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide","C18 H21 F6 N3 O3","O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)CC(C)C)C;CC(C)C[CH](NC(=O)C(F)(F)F)C(=O)N[CH](C)C(=O)Nc1ccc(cc1)C(F)(F)F;CC(C)CC(C(=O)NC(C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F","InChI=1S/C18H21F6N3O3/c1-9(2)8-13(27-16(30)18(22,23)24)15(29)25-10(3)14(28)26-12-6-4-11(5-7-12)17(19,20)21/h4-7,9-10,13H,8H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t10-,13-/m0/s1","TFLA","2008-07-30","2021-03-01","N-(trifluoroacetyl)-L-leucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide",""],["EOE","beta3-proline","C6 H11 N O2","OC(=O)C[CH]1CCCN1;C1CC(NC1)CC(=O)O","InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1","","2018-04-03","2024-09-27","2-[(2~{S})-pyrrolidin-2-yl]ethanoic acid","2019-04-10"],["0Z3","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide","C26 H34 F3 N4 O3","O=C(Nc1ccc(cc1)C(C)C)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])Cc2ccccc2;CC(C)c1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CCCC[NH3+])NC(=O)C(F)(F)F)cc1;CC(C)c1ccc(cc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F","InChI=1S/C26H33F3N4O3/c1-17(2)19-11-13-20(14-12-19)31-24(35)22(16-18-8-4-3-5-9-18)32-23(34)21(10-6-7-15-30)33-25(36)26(27,28)29/h3-5,8-9,11-14,17,21-22H,6-7,10,15-16,30H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)/p+1/t21-,22-/m0/s1","","2008-07-30","2011-07-13","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide",""],["EOF","(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","C22 H29 N3 O4","CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C=Cc2ccccc2","InChI=1S/C22H29N3O4/c1-15(2)12-19(25-20(27)9-8-16-6-4-3-5-7-16)22(29)24-18(14-26)13-17-10-11-23-21(17)28/h3-9,14-15,17-19H,10-13H2,1-2H3,(H,23,28)(H,24,29)(H,25,27)/b9-8+/t17-,18-,19-/m0/s1","","2020-01-17","2024-09-27","(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","2020-05-27"],["0Z4","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide","C23 H36 F3 N4 O3","O=C(Nc1ccc(cc1)C(C)C)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])CC(C)C;CC(C)C[CH](NC(=O)[CH](CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C(C)C;CC(C)CC(C(=O)Nc1ccc(cc1)C(C)C)NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F","InChI=1S/C23H35F3N4O3/c1-14(2)13-19(21(32)28-17-10-8-16(9-11-17)15(3)4)29-20(31)18(7-5-6-12-27)30-22(33)23(24,25)26/h8-11,14-15,18-19H,5-7,12-13,27H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)/p+1/t18-,19-/m0/s1","","2008-07-30","2011-07-13","6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide",""],["EOG","1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C18 H14 Cl N5 O","c31ccc(cc1n4c(c2c(cccc2)Cl)nnc4c(n3)C)C(NC)=O;CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4ccccc4Cl;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl","InChI=1S/C18H14ClN5O/c1-10-16-22-23-17(12-5-3-4-6-13(12)19)24(16)15-9-11(18(25)20-2)7-8-14(15)21-10/h3-9H,1-2H3,(H,20,25)","","2018-01-24","2018-08-10","1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2018-08-15"],["0Z6","D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide","C25 H36 Cl N6 O3","ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[NH2+])N;N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl;c1ccc(cc1)CC(C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)N","InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/p+1/t19-,20+,21+,22-/m1/s1","FFRCK","2008-07-30","2024-09-27","D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide",""],["EOH","ETHANOL","C2 H6 O","OCC;CCO;CCO","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","","1999-07-08","2024-09-27","ethanol",""],["0Z7","N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide","C27 H38 Cl N6 O4","C(C(C(NC(C(NC(C(NC(=O)C)Cc1ccccc1)=O)Cc2ccccc2)=O)CCCNC(=N)N)O)Cl;CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl;CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O","InChI=1S/C27H37ClN6O4/c1-18(35)32-22(15-19-9-4-2-5-10-19)25(37)34-23(16-20-11-6-3-7-12-20)26(38)33-21(24(36)17-28)13-8-14-31-27(29)30/h2-7,9-12,21-24,36H,8,13-17H2,1H3,(H,32,35)(H,33,38)(H,34,37)(H4,29,30,31)/p+1/t21-,22+,23-,24+/m0/s1","","2015-04-10","2024-09-27","N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide","2015-12-29"],["EOI","[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate","C9 H16 N5 O9 P3 S","C[CH](Cn1cnc2c(N)ncnc12)OC[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(OP(=O)(O)OP(=O)(O)O)S","InChI=1S/C9H16N5O9P3S/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)21-5-24(15,27)22-26(19,20)23-25(16,17)18/h3-4,6H,2,5H2,1H3,(H,15,27)(H,19,20)(H2,10,11,12)(H2,16,17,18)/t6-,24-/m1/s1","","2014-01-31","2015-02-06","[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate","2015-02-11"],["0Z9","N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide","C17 H25 N3 O5","O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NO;CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)OCc1ccccc1","InChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1","","2008-08-05","2011-07-13","N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide",""],["EOJ","1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C27 H26 Cl N5 O","C1C3(CC2CC(CC1C2)C3)NC(c4cc7c(cc4)nc(c6nnc(c5ccccc5Cl)n67)C)=O;Cc1nc2ccc(cc2n3c1nnc3c4ccccc4Cl)C(=O)NC56CC7CC(CC(C7)C5)C6;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl","InChI=1S/C27H26ClN5O/c1-15-24-31-32-25(20-4-2-3-5-21(20)28)33(24)23-11-19(6-7-22(23)29-15)26(34)30-27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,30,34)/t16-,17+,18-,27-","","2018-01-24","2018-08-10","1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2018-08-15"],["0ZA","3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one","C21 H21 Cl N4 O2","Clc4cc1c(C(=NC(C)(C)C1)NC(C2=NC(=O)ON2)Cc3ccccc3)cc4;CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3ccccc3)C4=NC(=O)ON4;CC1(Cc2cc(ccc2C(=N1)NC(Cc3ccccc3)C4=NC(=O)ON4)Cl)C","InChI=1S/C21H21ClN4O2/c1-21(2)12-14-11-15(22)8-9-16(14)18(25-21)23-17(19-24-20(27)28-26-19)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H,24,26,27)/t17-/m0/s1","","2012-11-28","2013-03-01","3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one","2013-03-06"],["EOK","(~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide","C13 H15 N3 O2 S","CC(=O)N=C1NN(C(C)=O)[C](C)(S1)c2ccccc2;CC(=O)N=C1NN(C(S1)(C)c2ccccc2)C(=O)C","InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1","","2018-04-04","2018-08-03","(~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide","2018-08-08"],["0ZB","N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine","C18 H25 N3 O6","O=C(NO)C(C(=O)NC(C(=O)NCc1ccccc1)CC(=O)O)CC(C)C;CC(C)C[CH](C(=O)NO)C(=O)N[CH](CC(O)=O)C(=O)NCc1ccccc1","InChI=1S/C18H25N3O6/c1-11(2)8-13(17(25)21-27)16(24)20-14(9-15(22)23)18(26)19-10-12-6-4-3-5-7-12/h3-7,11,13-14,27H,8-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25)(H,22,23)/t13-,14-/m0/s1","","2008-12-15","2011-07-13","N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine",""],["EOL","2-methoxy-4-(prop-2-en-1-yl)phenol","C10 H12 O2","Oc1ccc(cc1OC)CC=C;COc1cc(CC=C)ccc1O;COc1cc(ccc1O)CC=C","InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3","eugenol","2011-05-17","2021-03-01","2-methoxy-4-(prop-2-en-1-yl)phenol",""],["0ZC","(3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid","C23 H25 N3 O5","O=C(NC(C(=O)N3C(C(=O)O)Cc2c1ccccc1nc2C3)CC(C)C)c4occc4;CC(C)C[CH](NC(=O)c1occc1)C(=O)N2Cc3[nH]c4ccccc4c3C[CH]2C(O)=O","InChI=1S/C23H25N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,13,17,19,24H,10-12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1","Furoyl-LeusycloTrp; Po1656","2008-08-05","2020-06-17","(3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid",""],["EOM","ETHYLOXYMETHOXYL","C3 H7 O2","[O-]COCC;CCOC[O-];CCOC[O-]","InChI=1S/C3H7O2/c1-2-5-3-4/h2-3H2,1H3/q-1","","1999-07-08","2012-01-25","ethoxymethanolate",""],["0ZD","N,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide","C46 H50 N4 O10 S2","O=S(=O)(N(C(C(=O)O)C(C)C)CCNC(=O)c3cccc(C(=O)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5;CC(C)[CH](N(CCNC(=O)c1cccc(c1)C(=O)NCCN([CH](C(C)C)C(O)=O)[S](=O)(=O)c2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccc(cc4)c5ccccc5)C(O)=O;CC(C)C(C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN(C(C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5","InChI=1S/C46H50N4O10S2/c1-31(2)41(45(53)54)49(61(57,58)39-22-18-35(19-23-39)33-12-7-5-8-13-33)28-26-47-43(51)37-16-11-17-38(30-37)44(52)48-27-29-50(42(32(3)4)46(55)56)62(59,60)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42H,26-29H2,1-4H3,(H,47,51)(H,48,52)(H,53,54)(H,55,56)/t41-,42-/m1/s1","","2012-09-18","2013-04-19","(2R,2'R)-2,2'-(benzene-1,3-diylbis{carbonyliminoethane-2,1-diyl[(biphenyl-4-ylsulfonyl)imino]})bis(3-methylbutanoic acid) (non-preferred name)","2013-04-24"],["EON","1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea","C14 H15 N3 O5 S","COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O;COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N","InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)","","2018-04-05","2018-10-05","1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea","2018-10-10"],["0ZE","[[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b\nenzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium","C29 H38 N7 O3 S","O=C4N1C(CCC1C(=O)NC(CCCNC(=[NH2+])N)C(O)c2nc3ccccc3s2)CCC4(N)Cc5ccccc5;NC(=[NH2+])NCCC[CH](NC(=O)[CH]1CC[CH]2CC[C](N)(Cc3ccccc3)C(=O)N12)[CH](O)c4sc5ccccc5n4;c1ccc(cc1)CC2(CCC3CCC(N3C2=O)C(=O)NC(CCCNC(=[NH2+])N)C(c4nc5ccccc5s4)O)N","InChI=1S/C29H37N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22,24,37H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/p+1/t19-,21+,22+,24+,29+/m1/s1","MOL-168","2008-08-05","2020-06-17","amino{[(4S,5S)-4-({[(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizin-3-yl]carbonyl}amino)-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino}methaniminium (non-preferred name)",""],["EOO","(1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid","C19 H22 N2 O5","COC(=O)N1CCCc2cc(NC(=O)[CH]3CC=CC[CH]3C(O)=O)ccc12;COC(=O)N1CCCc2c1ccc(c2)NC(=O)C3CC=CCC3C(=O)O","InChI=1S/C19H22N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1","","2020-01-17","2021-01-15","(1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid","2021-01-20"],["0ZG","3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide","C22 H28 N4 O3 S","O=C(N1CCCCC1)C(NS(=O)(=O)c2ccc(cc2)C)Cc3cccc(C(=[N@H])N)c3;Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)N3CCCCC3;Cc1ccc(cc1)S(=O)(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)N3CCCCC3","InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/t20-/m0/s1","4-TAPAP","2008-08-05","2020-06-17","3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzenecarboximidamide",""],["EOP","{ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)","C6 H14 N2 O8 P2","O=C(NCCNC(=O)CP(=O)(O)O)CP(=O)(O)O;O[P](O)(=O)CC(=O)NCCNC(=O)C[P](O)(O)=O;C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O","InChI=1S/C6H14N2O8P2/c9-5(3-17(11,12)13)7-1-2-8-6(10)4-18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)","2,2'-(ETHANE-1,2-DIYLBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID","2006-02-17","2020-06-17","{ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)",""],["EOQ","4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide","C16 H18 Cl N3 O4 S","N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl;c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl","InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24)","","2018-04-05","2019-03-08","4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide","2019-03-13"],["0ZI","amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium","C25 H39 N6 O3 S","O=C(N1CCC(CC)CC1)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N;CC[CH]1CCN(CC1)C(=O)[CH](CCCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3c(cccc23)N(C)C","InChI=1S/C25H38N6O3S/c1-4-18-13-16-31(17-14-18)24(32)21(10-7-15-28-25(26)27)29-35(33,34)23-12-6-8-19-20(23)9-5-11-22(19)30(2)3/h5-6,8-9,11-12,18,21,29H,4,7,10,13-17H2,1-3H3,(H4,26,27,28)/p+1/t21-/m0/s1","DAPA","2008-08-05","2021-03-01","amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium",""],["0ZJ","N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide","C23 H36 Cl N6 O4 S","O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(NC(=O)CS)Cc1ccccc1)CCC2;NC(=[NH2+])NCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](Cc2ccccc2)NC(=O)CS)[CH](O)CCl;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS","InChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1","ATA-FPR-CH2Cl; ATA-PPACK","2008-08-05","2024-09-27","N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide",""],["EOR","2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine","C22 H30 N6 O2 S","CN(C)c1cc2OCOc2cc1Sc3nc4c(N)nccc4n3CCNCC(C)(C)C;CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N","InChI=1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)","","2020-01-17","2021-01-08","2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine","2021-01-13"],["0ZL","N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide","C29 H55 N3 O6","O=C(OCC)NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C)CC(C)C)CC(C)C;CCOC(=O)N[CH](CC(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](CC1CCCCC1)[CH](O)[CH](O)CC(C)C;CCOC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCCC1)C(C(CC(C)C)O)O","InChI=1S/C29H55N3O6/c1-8-38-29(37)32-24(15-19(4)5)28(36)31-23(14-18(2)3)27(35)30-22(17-21-12-10-9-11-13-21)26(34)25(33)16-20(6)7/h18-26,33-34H,8-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t22-,23-,24-,25-,26+/m0/s1","","2008-08-05","2011-07-13","N-(ethoxycarbonyl)-L-leucyl-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide",""],["EOS","1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C22 H22 Cl N5 O2","c2c(ccc3nc(C)c4nnc(c1c(ccc(c1)OCC(C)C)Cl)n4c23)C(NC)=O;CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4cc(OCC(C)C)ccc4Cl;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C","InChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29)","","2018-01-24","2018-08-10","1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2018-08-15"],["0ZN","N-[(1R)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan","C27 H33 N3 O5","O=C(O)C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)CCc3ccccc3;CC(C)C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O;CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(CCc3ccccc3)C(=O)O","InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22-,23-,24-/m0/s1","","2008-08-05","2011-07-13","N-[(1S)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan",""],["EOT","[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID","C20 H28 N4 O9 S","S=C(Nc1ccc(cc1)CC(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)NCCO;OCCNC(=S)Nc1ccc(C[CH](CN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)cc1;c1cc(ccc1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO","InChI=1S/C20H28N4O9S/c25-6-5-21-20(34)22-14-3-1-13(2-4-14)7-15(24(11-18(30)31)12-19(32)33)8-23(9-16(26)27)10-17(28)29/h1-4,15,25H,5-12H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,21,22,34)/t15-/m0/s1","","1999-07-08","2011-06-04","2,2',2'',2'''-{[(2S)-3-(4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid",""],["0ZO","N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide","C25 H35 Cl N4 O7","O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2;C[CH](NC(=O)CCC(O)=O)C(=O)N[CH](C)C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[CH](O)CCl;CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(CCl)O)NC(=O)CCC(=O)O","InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1","AAPF-chloromethylketone; AAPF-cmk","2009-01-13","2020-05-26","N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide",""],["EOU","dimethyl (~{E})-but-2-enedioate","C6 H8 O4","COC(=O)C=CC(=O)OC;COC(=O)C=CC(=O)OC","InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+","","2020-01-17","2020-07-31","dimethyl (~{E})-but-2-enedioate","2020-08-05"],["0ZP","N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-y\nl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide","C51 H68 N5 O4","O=C(NCC(C)CC)C(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(Cc2c1ccccc1ccc2)Cc4c3ccccc3ccc4)Cc5cnc[nH+]5)CC6CCCCC6;CC[CH](C)CNC(=O)[CH](CC(C)C)C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4ccccc34)Cc5cccc6ccccc56;CCC(C)CNC(=O)C(CC(C)C)CC(C(CC1CCCCC1)NC(=O)C(Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O","InChI=1S/C51H67N5O4/c1-5-35(4)31-53-49(58)41(25-34(2)3)29-48(57)46(26-36-15-7-6-8-16-36)55-51(60)47(30-43-32-52-33-54-43)56-50(59)42(27-39-21-13-19-37-17-9-11-23-44(37)39)28-40-22-14-20-38-18-10-12-24-45(38)40/h9-14,17-24,32-36,41-42,46-48,57H,5-8,15-16,25-31H2,1-4H3,(H,52,54)(H,53,58)(H,55,60)(H,56,59)/p+1/t35-,41+,46-,47-,48-/m0/s1","PD125967","2008-08-12","2020-06-17","N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2S)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide",""],["EOW","(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate","C11 H14 N O5 P","Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O;Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O","InChI=1S/C11H14NO5P/c1-3-4-5-10-11(13)8(2)9(6-12-10)7-17-18(14,15)16/h1,6,13H,4-5,7H2,2H3,(H2,14,15,16)","","2018-04-05","2024-09-27","(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate","2018-05-30"],["0ZQ","N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide","C38 H49 N5 O7","O=C(N)C(NC(=O)C(NC(=O)C(NCCC(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)O)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](CCN[CH](Cc1ccccc1)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](Cc2ccccc2)C(N)=O)Cc3ccccc3;CC(C)(C)OC(=O)NC(CCNC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)N)Cc3ccccc3","InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)41-29(23-26-13-7-4-8-14-26)21-22-40-32(25-28-17-11-6-12-18-28)36(48)42-30(19-20-33(44)45)35(47)43-31(34(39)46)24-27-15-9-5-10-16-27/h4-18,29-32,40H,19-25H2,1-3H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,47)(H,44,45)/t29-,30+,31+,32+/m1/s1","","2008-08-12","2011-07-13","N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide",""],["EOX","ETHYLOXY GROUP","C2 H6 O","OCC;CCO;CCO","InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3","","1999-07-08","2008-10-14","ethanol",""],["0ZR","N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide","C38 H50 N6 O7","O=C(N)C(NC(=O)C(NC(=O)C(NCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)N)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](Cc3ccccc3)C(N)=O;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CNC(Cc2ccccc2)C(=O)NC(CCC(=O)N)C(=O)NC(Cc3ccccc3)C(=O)N)O","InChI=1S/C38H50N6O7/c1-38(2,3)51-37(50)44-29(21-25-13-7-4-8-14-25)32(45)24-41-31(23-27-17-11-6-12-18-27)36(49)42-28(19-20-33(39)46)35(48)43-30(34(40)47)22-26-15-9-5-10-16-26/h4-18,28-32,41,45H,19-24H2,1-3H3,(H2,39,46)(H2,40,47)(H,42,49)(H,43,48)(H,44,50)/t28-,29-,30-,31-,32-/m0/s1","","2008-08-12","2011-07-13","N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide",""],["EOY","1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C31 H34 Cl N5 O2","c2c(ccc3nc(C)c4nnc(c1c(ccc(c1)OCC(C)C)Cl)n4c23)C(NC76CC5CC(CC(C5)C6)C7)=O;CC(C)COc1ccc(Cl)c(c1)c2nnc3n2c4cc(ccc4nc3C)C(=O)NC56CC7CC(CC(C7)C5)C6;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C","InChI=1S/C31H34ClN5O2/c1-17(2)16-39-23-5-6-25(32)24(12-23)29-36-35-28-18(3)33-26-7-4-22(11-27(26)37(28)29)30(38)34-31-13-19-8-20(14-31)10-21(9-19)15-31/h4-7,11-12,17,19-21H,8-10,13-16H2,1-3H3,(H,34,38)/t19-,20+,21-,31-","","2018-01-24","2018-08-10","1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2018-08-15"],["0ZS","N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide","C38 H49 N5 O8","O=C(N)C(NC(=O)C(NC(=O)C(NCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)O)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](Cc3ccccc3)C(N)=O;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CNC(Cc2ccccc2)C(=O)NC(CCC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N)O","InChI=1S/C38H49N5O8/c1-38(2,3)51-37(50)43-29(21-25-13-7-4-8-14-25)32(44)24-40-31(23-27-17-11-6-12-18-27)36(49)41-28(19-20-33(45)46)35(48)42-30(34(39)47)22-26-15-9-5-10-16-26/h4-18,28-32,40,44H,19-24H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,50)(H,45,46)/t28-,29-,30-,31-,32+/m0/s1","","2008-08-13","2011-07-13","N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide",""],["EOZ","3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID","C11 H14 N2 O10 P2","O=C(Nc1cc(cc(c1)NC(=O)CP(=O)(O)O)C(=O)O)CP(=O)(O)O;OC(=O)c1cc(NC(=O)C[P](O)(O)=O)cc(NC(=O)C[P](O)(O)=O)c1;c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O","InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)","","2006-02-17","2011-06-04","3,5-bis[(phosphonoacetyl)amino]benzoic acid",""],["0ZT","N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide","C38 H49 N5 O8","O=C(N)C(NC(=O)C(NC(=O)C(NCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)O)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](Cc3ccccc3)C(N)=O;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CNC(Cc2ccccc2)C(=O)NC(CCC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N)O","InChI=1S/C38H49N5O8/c1-38(2,3)51-37(50)43-29(21-25-13-7-4-8-14-25)32(44)24-40-31(23-27-17-11-6-12-18-27)36(49)41-28(19-20-33(45)46)35(48)42-30(34(39)47)22-26-15-9-5-10-16-26/h4-18,28-32,40,44H,19-24H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,50)(H,45,46)/t28-,29-,30-,31-,32-/m0/s1","","2008-08-13","2011-07-13","N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide",""],["EP","EPOTHILONE A","C26 H39 N O6 S","O=C1C(C)C(O)C(C)CCCC3OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C;C[CH]1CCC[CH]2O[CH]2C[CH](OC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc3csc(C)n3;Cc1nc(cs1)C=C(C)C2CC3C(O3)CCCC(C(C(C(=O)C(C(CC(=O)O2)O)(C)C)C)O)C","InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1","","2004-08-01","2012-01-05","(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione",""],["0ZW","N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide","C21 H44 B N4 O7","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(O)OCCCO)CCCC[NH3+])C(C)C)C;CC(C)[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(=O)N[CH](CCCC[NH3+])B(O)OCCCO;B(C(CCCC[NH3+])NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OC(C)(C)C)(O)OCCCO","InChI=1S/C21H43BN4O7/c1-14(2)17(26-18(28)15(3)24-20(30)33-21(4,5)6)19(29)25-16(10-7-8-11-23)22(31)32-13-9-12-27/h14-17,27,31H,7-13,23H2,1-6H3,(H,24,30)(H,25,29)(H,26,28)/p+1/t15-,16-,17-/m0/s1","","2008-08-18","2024-09-27","N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide",""],["EP0","N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline","C17 H28 N2 O7","O=C(O)C1N(C(=O)C(NC(=O)CC(O)C(=O)OCC)C(C)CC)CCC1;CCOC(=O)[CH](O)CC(=O)N[CH]([CH](C)CC)C(=O)N1CCC[CH]1C(O)=O;CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)CC(C(=O)OCC)O","InChI=1S/C17H28N2O7/c1-4-10(3)14(15(22)19-8-6-7-11(19)16(23)24)18-13(21)9-12(20)17(25)26-5-2/h10-12,14,20H,4-9H2,1-3H3,(H,18,21)(H,23,24)/t10-,11-,12+,14-/m0/s1","epoxy succinyl inhibitor","2008-03-25","2024-09-27","N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline",""],["0ZX","N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide","C22 H45 B N4 O6","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(OCC)OCC)CCCCN)C(C)C)C;CCOB(OCC)[CH](CCCCN)NC(=O)[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(C)C","InChI=1S/C22H45BN4O6/c1-9-31-23(32-10-2)17(13-11-12-14-24)26-20(29)18(15(3)4)27-19(28)16(5)25-21(30)33-22(6,7)8/h15-18H,9-14,24H2,1-8H3,(H,25,30)(H,26,29)(H,27,28)/t16-,17-,18-/m0/s1","","2009-02-04","2024-09-27","N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide",""],["EP1","3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID","C9 H20 N2 O4 S","O=S(=O)(O)CCCN1CCN(CCO)CC1;OCCN1CCN(CCC[S](O)(=O)=O)CC1;C1CN(CCN1CCCS(=O)(=O)O)CCO","InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)","","2003-11-20","2011-06-04","3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid",""],["0ZY","N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide","C19 H40 B N4 O6","O=C(NC(B(O)OC)CCCC[NH3+])C(NC(=O)C(NC(=O)OC(C)(C)C)C)C(C)C;COB(O)[CH](CCCC[NH3+])NC(=O)[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(C)C;B(C(CCCC[NH3+])NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OC(C)(C)C)(O)OC","InChI=1S/C19H39BN4O6/c1-12(2)15(17(26)23-14(20(28)29-7)10-8-9-11-21)24-16(25)13(3)22-18(27)30-19(4,5)6/h12-15,28H,8-11,21H2,1-7H3,(H,22,27)(H,23,26)(H,24,25)/p+1/t13-,14-,15-/m0/s1","","2008-08-19","2024-09-27","N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide",""],["EP2","methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate","C26 H41 N5 O10","O=C(NC(C(=O)N1C(C(=O)O)CCC1)CC(C)C)C2OC2C(=O)NC(C(=O)NCC(=O)NCC(=O)OC)CC(C)C;COC(=O)CNC(=O)CNC(=O)[CH](CC(C)C)NC(=O)[CH]1O[CH]1C(=O)N[CH](CC(C)C)C(=O)N2CCC[CH]2C(O)=O;CC(C)CC(C(=O)NCC(=O)NCC(=O)OC)NC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)O","InChI=1S/C26H41N5O10/c1-13(2)9-15(22(34)28-11-18(32)27-12-19(33)40-5)29-23(35)20-21(41-20)24(36)30-16(10-14(3)4)25(37)31-8-6-7-17(31)26(38)39/h13-17,20-21H,6-12H2,1-5H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)/t15-,16-,17-,20-,21-/m0/s1","NS-134","2008-03-25","2021-03-01","methyl N-{[(2S,3S)-3-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]carbamoyl}oxiran-2-yl]carbonyl}-L-leucylglycylglycinate",""],["0ZZ","5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid","C26 H33 Br N2 O6 S","Brc1cc(c(OC)cc1)CC(=O)NC(C(=O)NC(CC(=O)O)C(O)CSCc2ccccc2)C(C)C;COc1ccc(Br)cc1CC(=O)N[CH](C(C)C)C(=O)N[CH](CC(O)=O)[CH](O)CSCc2ccccc2;CC(C)C(C(=O)NC(CC(=O)O)C(CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br","InChI=1S/C26H33BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20-21,25,30H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,21+,25-/m0/s1","","2008-08-15","2024-09-27","5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid",""],["EP4","5'-deoxy-5'-(dimethylamino)adenosine","C12 H18 N6 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(C)C)N;CN(C)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CN(C)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H18N6O3/c1-17(2)3-6-8(19)9(20)12(21-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2012-05-30","2012-10-12","5'-deoxy-5'-(dimethylamino)adenosine","2012-10-12"],["100","1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE","C12 H8 Cl N5 O2","Clc1cc2c(cc1)ncc2C(=O)C=C(/O)c3nnnn3;OC(=CC(=O)c1c[nH]c2ccc(Cl)cc12)c3n[nH]nn3;c1cc2c(cc1Cl)c(c[nH]2)C(=O)C=C(c3n[nH]nn3)O","InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-5,14,20H,(H,15,16,17,18)/b11-4-","","1999-07-08","2012-01-05","(2Z)-1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one",""],["EP5","2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium","C23 H26 N5 O2","[NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c4ccc(cc4)C#N)cc12;c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+]","InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2/p+1","","2018-04-06","2018-06-15","2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium","2018-06-20"],["101","2'-DEOXY-ADENOSINE 3'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)CO;Nc1ncnc2n(cnc12)[CH]3C[CH](O[P](O)(O)=O)[CH](CO)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)OP(=O)(O)O)N","InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(6(2-16)20-7)21-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1","","1999-08-17","2011-06-04","2'-deoxy-3'-adenylic acid",""],["EP6","5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine","C30 H42 N8 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(C(C)C)C6CC(CCc5nc4cc(ccc4n5)C(C)(C)C)C6)N;CC(C)N(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4C[CH](CCc5[nH]c6ccc(cc6n5)C(C)(C)C)C4;CC(C)N(CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C","InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1","","2012-11-08","2013-07-26","5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine","2013-07-31"],["EP7","1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C22 H22 Cl N5 O2","c2c(ccc3nc(C)c4nnc(c1c(Cl)ccc(c1)OC)n4c23)C(NCC(C)C)=O;COc1ccc(Cl)c(c1)c2nnc3n2c4cc(ccc4nc3C)C(=O)NCC(C)C;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC","InChI=1S/C22H22ClN5O2/c1-12(2)11-24-22(29)14-5-8-18-19(9-14)28-20(13(3)25-18)26-27-21(28)16-10-15(30-4)6-7-17(16)23/h5-10,12H,11H2,1-4H3,(H,24,29)","","2018-01-24","2018-08-10","1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2018-08-15"],["102","GAMMA-DEOXY-GAMMA-SULFO-GUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O13 P3 S","NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)C(O)C3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)","","1999-08-17","2012-01-05","[[(2S,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate",""],["103","2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE","C10 H14 N5 O5 P","O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C;C[CH]1O[CH](C[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)O","InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1","","1999-08-17","2011-06-04","2',5'-dideoxy-3'-adenylic acid",""],["EP8","5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid","C21 H19 N3 O3","OC(=O)c1cnn(c2ccccc2)c1OCCCc3c[nH]c4ccccc34;c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4","InChI=1S/C21H19N3O3/c25-21(26)18-14-23-24(16-8-2-1-3-9-16)20(18)27-12-6-7-15-13-22-19-11-5-4-10-17(15)19/h1-5,8-11,13-14,22H,6-7,12H2,(H,25,26)","","2018-04-06","2019-04-19","5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid","2019-04-24"],["104","N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE","C6 H18 N4","NCCNCCNCCN;NCCNCCNCCN;C(CNCCNCCN)N","InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2","TRIENTINE","1999-12-09","2021-03-01","N,N'-bis(2-aminoethyl)ethane-1,2-diamine",""],["EP9","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide","C30 H41 N3 O7","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(Cc2ccc(O)cc2)C(O)C=O)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc2ccc(O)cc2)[CH](O)C=O;CC(C)CC(C(=O)NC(Cc1ccc(cc1)O)C(C=O)O)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2","InChI=1S/C30H41N3O7/c1-19(2)14-25(28(37)31-24(27(36)17-34)16-21-10-12-23(35)13-11-21)32-29(38)26(15-20(3)4)33-30(39)40-18-22-8-6-5-7-9-22/h5-13,17,19-20,24-27,35-36H,14-16,18H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-,27+/m0/s1","Z-Leu-Leu-TyrCOCHO, hemiketal form","2011-04-19","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide",""],["105","N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID","C12 H12 B Cl N2 O4","Clc1ccccc1c2noc(c2C(=O)NCB(O)O)C;Cc1onc(c2ccccc2Cl)c1C(=O)NCB(O)O;B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O","InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)","CLOXACILLIN DERIVATIVE","2000-09-27","2024-09-27","[({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acid",""],["EPA","5,8,11,14,17-EICOSAPENTAENOIC ACID","C20 H30 O2","O=C(O)CCCC=C/CC=C/CC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCC=CCC=CCCCC(O)=O;CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O","InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-","","1999-07-08","2011-06-04","(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid",""],["106","4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide","C14 H11 Br N4 O3 S","N1C(/C(c2cc(ccc12)Br)=NNc3ccc(cc3)S(=O)(=O)N)=O;N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1;c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N","InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)","","2000-10-03","2020-09-09","4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide",""],["EPB","7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE","C27 H41 N O6 S","O=C1C(C)C(O)C(C)CCCC3(OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C;C[CH]1CCC[C]2(C)O[CH]2C[CH](OC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc3csc(C)n3;Cc1nc(cs1)C=C(C)C2CC3C(O3)(CCCC(C(C(C(=O)C(C(CC(=O)O2)O)(C)C)C)O)C)C","InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1","EPOTHILONE B","2003-08-07","2021-03-01","(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione",""],["107","4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE","C21 H15 N5 O3 S2","O=S(=O)(Nc1ncccc1)c2ccc(cc2)NCC=5C(=O)N=C4C=5c3scnc3C=C4;O=C1N=C2C=Cc3ncsc3C2=C1CNc4ccc(cc4)[S](=O)(=O)Nc5ccccn5;c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O","InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-10,12,23H,11H2,(H,22,26)","","2000-10-03","2011-06-04","4-{[(7-oxo-7H-[1,3]thiazolo[5,4-e]indol-8-yl)methyl]amino}-N-pyridin-2-ylbenzenesulfonamide",""],["EPC","(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID","C10 H16 N2 O8 P2","O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(C)P(=O)(O)O)C;C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)P(=O)(O)O)O","InChI=1S/C10H16N2O8P2/c1-6-10(13)9(4-12-7(2)21(14,15)16)8(3-11-6)5-20-22(17,18)19/h3-4,7,13H,5H2,1-2H3,(H2,14,15,16)(H2,17,18,19)/b12-4+/t7-/m0/s1","","2002-07-09","2011-06-04","[(1S)-1-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}ethyl]phosphonic acid",""],["108","2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID","C11 H15 N3 O3","O=C(O)C(NCc1cc(ccc1O)C(=[N@H])N)C;C[CH](NCc1cc(ccc1O)C(N)=N)C(O)=O;CC(C(=O)O)NCc1cc(ccc1O)C(=N)N","InChI=1S/C11H15N3O3/c1-6(11(16)17)14-5-8-4-7(10(12)13)2-3-9(8)15/h2-4,6,14-15H,5H2,1H3,(H3,12,13)(H,16,17)/t6-/m0/s1","","2000-10-30","2011-06-04","N-(5-carbamimidoyl-2-hydroxybenzyl)-L-alanine",""],["EPD","EPOTHILONE D","C27 H41 N O5 S","O=C1C(C)C(O)C(C)CCCC(=CCC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C;C[CH]1CCCC(=CC[CH](OC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc2csc(C)n2)C;Cc1nc(cs1)C=C(C)C2CC=C(CCCC(C(C(C(=O)C(C(CC(=O)O2)O)(C)C)C)O)C)C","InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1","","2003-07-03","2012-01-05","(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]oxacyclohexadec-13-ene-2,6-dione",""],["109","2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID","C11 H15 N3 O3","O=C(O)C(NCc1ccc(cc1O)C(=[N@H])N)C;C[CH](NCc1ccc(cc1O)C(N)=N)C(O)=O;CC(C(=O)O)NCc1ccc(cc1O)C(=N)N","InChI=1S/C11H15N3O3/c1-6(11(16)17)14-5-8-3-2-7(10(12)13)4-9(8)15/h2-4,6,14-15H,5H2,1H3,(H3,12,13)(H,16,17)/t6-/m0/s1","","2000-10-30","2011-06-04","N-(4-carbamimidoyl-2-hydroxybenzyl)-L-alanine",""],["EPE","4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID","C8 H18 N2 O4 S","O=S(=O)(O)CCN1CCN(CCO)CC1;OCCN1CCN(CC1)CC[S](O)(=O)=O;C1CN(CCN1CCO)CCS(=O)(=O)O","InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)","HEPES","1999-07-08","2024-09-27","2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid",""],["10A","DIDECYL-DIMETHYL-AMMONIUM","C22 H48 N","C(CCCCC[N+](C)(CCCCCCCCCC)C)CCCC;CCCCCCCCCC[N+](C)(C)CCCCCCCCCC;CCCCCCCCCC[N+](C)(C)CCCCCCCCCC","InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1","","2002-01-04","2011-06-04","N-decyl-N,N-dimethyldecan-1-aminium",""],["EPG","(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside","C9 H16 O7","O(CC1OC1)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](OC[CH]2CO2)[CH](O)[CH](O)[CH]1O;C1C(O1)COC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1","2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL; 2,3-EPOXYPROPYL-ALPHA-D-GLUCOPYRANOSIDE;\n(2R)-oxiran-2-ylmethyl alpha-D-glucoside; (2R)-oxiran-2-ylmethyl D-glucoside; (2R)-oxiran-2-ylmethyl glucoside","2002-11-28","2024-09-27","(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside",""],["10B","N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid","C17 H20 N2 O5 S","O=S(=O)(N(OC(C)C)CC(=O)NO)c2ccc(c1ccccc1)cc2;CC(C)ON(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2;CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2","InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)","N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide","2012-09-18","2021-03-01","N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide","2013-04-24"],["EPH","L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE","C39 H68 N O8 P","O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCC/C=C/CC/C=C/CC/C=C/C;CCCC=CCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P](O)(=O)OCCN;CCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCCC=CCCC=CC)COP(=O)(O)OCCN","InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11?,16-14+,20-18+/t37-/m1/s1","","2000-11-03","2011-06-04","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-hexadeca-9,12-dienoyloxy]propyl (8E,12E,16E)-octadeca-8,12,16-trienoate",""],["10C","4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHONOOXY)METHYL]-ALPHA-L-LYXOFURANOSYL}PYRIMIDIN-2(1H)-ONE","C10 H14 N3 O8 P","O=C1N=C(N)C=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O;C1C2(C(C(O1)C(O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O","InChI=1S/C10H14N3O8P/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(21-8,3-19-6)4-20-22(16,17)18/h1-2,6-8,14H,3-4H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1","","2007-02-15","2011-06-04","4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidin-2(1H)-one",""],["EPI","4-ETHYLPIPERIDINE","C7 H15 N","N1CCC(CC)CC1;CCC1CCNCC1;CCC1CCNCC1","InChI=1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3","","1999-07-08","2011-06-04","4-ethylpiperidine",""],["10D","(2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate","C5 H11 F O7 P2","O=P(O)(O)OP(=O)(OCC=C(/C)CF)O;CC(CF)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CF","InChI=1S/C5H11FO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+","","2012-09-19","2013-01-18","(2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate","2013-01-18"],["EPJ","EPIBATIDINE","C11 H13 Cl N2","Clc1ncc(cc1)C3CC2NC3CC2;Clc1ccc(cn1)[CH]2C[CH]3CC[CH]2N3;c1cc(ncc1C2CC3CCC2N3)Cl","InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1","(2R)-2-(6-CHLOROPYRIDIN-3-YL)-7-AZABICYCLO[2.2.1]HEPTANE","2003-08-06","2021-03-01","(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane",""],["10E","(2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate","C5 H13 N O7 P2","O=P(O)(O)OP(=O)(OCC=C(/C)CN)O;CC(CN)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CN","InChI=1S/C5H13NO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4,6H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+","","2012-09-19","2013-01-04","(2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate","2013-01-04"],["EPK","3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one","C16 H18 N4 O S","O=C1c2scc(c2N=C(N1CC)NC(C)C)c3cccnc3;CCN1C(=O)c2scc(c3cccnc3)c2N=C1NC(C)C;CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C","InChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19)","","2015-02-19","2015-04-03","3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one","2015-04-08"],["10F","N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid","C20 H29 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)N(C=O)CC2NC3C(NC2)NC(N)NC3O)CCC(=O)O;N[CH]1N[CH](O)[CH]2N[CH](CN[CH]2N1)CN(C=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2CNC3C(N2)C(NC(N3)N)O)C=O","InChI=1S/C20H29N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,15-16,18,20,22-23,25-26,32H,5-8,21H2,(H,24,31)(H,29,30)(H,33,34)/t11-,13+,15+,16-,18-,20+/m0/s1","","2009-07-02","2011-06-04","N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid",""],["EPL","DIETHYL 4-METHOXYPHENYL PHOSPHATE","C11 H17 O5 P","O=P(Oc1ccc(OC)cc1)(OCC)OCC;CCO[P](=O)(OCC)Oc1ccc(OC)cc1;CCOP(=O)(OCC)Oc1ccc(cc1)OC","InChI=1S/C11H17O5P/c1-4-14-17(12,15-5-2)16-11-8-6-10(13-3)7-9-11/h6-9H,4-5H2,1-3H3","","2007-08-30","2011-06-04","diethyl 4-methoxyphenyl phosphate",""],["10G","(2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate","C5 H12 O7 P2 S","O=P(OP(=O)(OC/C=C(C)CS)O)(O)O;CC(CS)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CS","InChI=1S/C5H12O7P2S/c1-5(4-15)2-3-11-14(9,10)12-13(6,7)8/h2,15H,3-4H2,1H3,(H,9,10)(H2,6,7,8)/b5-2+","","2012-09-19","2013-01-04","(2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate","2013-01-04"],["EPM","N-PALMITOYL-L-METHIONINE","C21 H41 N O3 S","O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O;CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O","InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1","","2005-05-23","2011-06-04","N-hexadecanoyl-L-methionine",""],["10H","1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one","C16 H20 N2 O3 S","O=S(=O)(c2ccc(N1C=CCC1=O)cc2)N3C(C)CCCC3;C[CH]1CCCCN1[S](=O)(=O)c2ccc(cc2)N3C=CCC3=O;CC1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O","InChI=1S/C16H20N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h4,7-11,13H,2-3,5-6,12H2,1H3/t13-/m1/s1","","2012-09-21","2013-03-15","1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one","2013-03-20"],["EPN","3-(4-NITRO-PHENOXY)-PROPAN-1-OL","C9 H11 N O4","[O-][N+](=O)c1ccc(OCCCO)cc1;OCCCOc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OCCCO","InChI=1S/C9H11NO4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2","","1999-07-08","2024-09-27","3-(4-nitrophenoxy)propan-1-ol",""],["EPO","(2R,3R)-oxirane-2,3-dicarboxylic acid","C4 H4 O5","O=C(O)C1OC1C(=O)O;OC(=O)[CH]1O[CH]1C(O)=O;C1(C(O1)C(=O)O)C(=O)O","InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1","","1999-07-08","2011-06-04","(2R,3R)-oxirane-2,3-dicarboxylic acid",""],["10I","N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea","C15 H24 N4 O","O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC;CCCNC(=N)NC(=O)Nc1c(CC)cccc1CC;CCCNC(=N)NC(=O)Nc1c(cccc1CC)CC","InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20)","","2021-06-21","2022-01-28","N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea","2022-02-02"],["10J","3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","C25 H21 N5 O2 S","O=C(c1ccccc1)N4CC5(c3scc(c2cc(C#N)ccc2)c3)NC(=[N@H])N(C(=O)C5C4)C;CN1C(=N)N[C]2(CN(C[CH]2C1=O)C(=O)c3ccccc3)c4scc(c4)c5cccc(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)C(=O)c5ccccc5","InChI=1S/C25H21N5O2S/c1-29-23(32)20-13-30(22(31)17-7-3-2-4-8-17)15-25(20,28-24(29)27)21-11-19(14-33-21)18-9-5-6-16(10-18)12-26/h2-11,14,20H,13,15H2,1H3,(H2,27,28)/t20-,25-/m0/s1","","2012-09-23","2012-10-12","3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","2012-10-12"],["EPQ","(4S)-4-amino-6-fluoro-N,N-dimethyl-5-oxohexanamide","C8 H15 F N2 O2","CN(C)C(=O)CC[CH](N)C(=O)CF;CN(C)C(=O)CCC(C(=O)CF)N","InChI=1S/C8H15FN2O2/c1-11(2)8(13)4-3-6(10)7(12)5-9/h6H,3-5,10H2,1-2H3/t6-/m0/s1","","2006-06-09","2011-06-04","(4S)-4-azanyl-6-fluoro-N,N-dimethyl-5-oxo-hexanamide",""],["10K","N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide","C18 H17 N3 O S","O=C(Nc1cc(nn1)C2CC2)Cc4ccc(c3sccc3)cc4;O=C(Cc1ccc(cc1)c2sccc2)Nc3[nH]nc(c3)C4CC4;c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4","InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)","","2011-04-05","2013-04-26","N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide","2013-05-01"],["EPR","{5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid","C15 H13 N O3 S2","S=C1S/C(C(=O)N1CC(=O)O)=C/C(=C/c2ccccc2)C;CC(=Cc1ccccc1)C=C2SC(=S)N(CC(O)=O)C2=O;CC(=Cc1ccccc1)C=C2C(=O)N(C(=S)S2)CC(=O)O","InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8?","Epalrestat","2013-03-25","2021-03-01","{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid","2013-10-23"],["10L","1H-indazol-7-amine","C7 H7 N3","n2cc1cccc(c1n2)N;Nc1cccc2cn[nH]c12;c1cc2cn[nH]c2c(c1)N","InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)","","2012-08-09","2014-09-05","1H-indazol-7-amine","2012-09-28"],["EPS","5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID","C10 H13 O10 P","O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O/C(C(=O)O)=C)C1;O[CH]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O;C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O","InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1","5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE","2003-09-15","2020-06-17","(3R,4S,5R)-5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["10M","decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside","C22 H42 O10 S","S(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCS[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C22H42O10S/c1-2-3-4-5-6-7-8-9-10-33-22-19(29)17(27)20(14(12-24)31-22)32-21-18(28)16(26)15(25)13(11-23)30-21/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1","(2R,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-6-Decylsulfanyl-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol, n-Decyl-beta-D-thiomaltoside","2008-02-07","2021-03-03","decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside",""],["EPT","HEPTANYL-P-PHENOL","C13 H20 O","Oc1ccc(cc1)CCCCCCC;CCCCCCCc1ccc(O)cc1;CCCCCCCc1ccc(cc1)O","InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3","","1999-07-08","2011-06-04","4-heptylphenol",""],["10N","N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide","C22 H20 N6 O2 S","O=S(=O)(N(c1ncccc1CNc2c(C#N)cnc4c2cc(c3ccccc3)n4)C)C;CN(c1ncccc1CNc2c(cnc3[nH]c(cc23)c4ccccc4)C#N)[S](C)(=O)=O;CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C","InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)","","2012-09-23","2013-08-30","N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide","2013-09-04"],["EPU","URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID","C20 H29 N3 O19 P2","O=P(OC1OC(C(O)C(O/C(=C)C(=O)O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O[CH](CO)[CH](O)[CH]1OC(=C)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O","InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1","ENOLPYRUVYL-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE","1999-07-08","2020-06-17","2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid (non-preferred name)",""],["EPV","1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","C25 H28 Cl N5 O2","c1c(ccc2nc(C)c3nnc(n3c12)c4cc(ccc4Cl)OC(C)(C)C)C(NCC(C)C)=O;CC(C)CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4cc(OC(C)(C)C)ccc4Cl;Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C","InChI=1S/C25H28ClN5O2/c1-14(2)13-27-24(32)16-7-10-20-21(11-16)31-22(15(3)28-20)29-30-23(31)18-12-17(8-9-19(18)26)33-25(4,5)6/h7-12,14H,13H2,1-6H3,(H,27,32)","","2018-01-24","2018-08-10","1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide","2018-08-15"],["10O","3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","C24 H22 N6 O2 S","O=C4N(C(=[N@H])NC5(c2scc(c1cc(C#N)ccc1)c2)CN(c3nc(OC)ccc3)CC45)C;COc1cccc(n1)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4scc(c4)c5cccc(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5cccc(n5)OC","InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(20-7-4-8-21(27-20)32-2)14-24(18,28-23(29)26)19-10-17(13-33-19)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1","","2012-09-23","2012-11-02","3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","2012-11-02"],["EPW","Cystargolide B- bound form","C17 H30 N2 O7","CC(C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C(C)C)C(O)=O)C(C)C)C(O)=O;CC(C)C(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)O)C(=O)O","InChI=1S/C17H30N2O7/c1-7(2)10(16(23)24)13(20)15(22)18-11(8(3)4)14(21)19-12(9(5)6)17(25)26/h7-13,20H,1-6H3,(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t10-,11-,12-,13+/m0/s1","","2018-04-06","2018-09-07","(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid","2018-09-12"],["10P","D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide","C21 H27 N4 O2","O=C(NCc1ccc[n+](c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3;C[n+]1cccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)c1;C[n+]1cccc(c1)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N","InChI=1S/C21H26N4O2/c1-24-11-5-9-17(15-24)14-23-20(26)19-10-6-12-25(19)21(27)18(22)13-16-7-3-2-4-8-16/h2-5,7-9,11,15,18-19H,6,10,12-14,22H2,1H3/p+1/t18-,19+/m1/s1","","2011-03-16","2012-02-24","D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide",""],["10Q","2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile","C24 H19 N7 O S","N#Cc1cccnc1N4CC5(c3scc(c2cc(C#N)ccc2)c3)NC(=[N@H])N(C(=O)C5C4)C;CN1C(=N)N[C]2(CN(C[CH]2C1=O)c3ncccc3C#N)c4scc(c4)c5cccc(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5c(cccn5)C#N","InChI=1S/C24H19N7OS/c1-30-22(32)19-12-31(21-17(11-26)6-3-7-28-21)14-24(19,29-23(30)27)20-9-18(13-33-20)16-5-2-4-15(8-16)10-25/h2-9,13,19H,12,14H2,1H3,(H2,27,29)/t19-,24-/m0/s1","","2012-09-24","2012-11-02","2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile","2012-11-02"],["EPY","1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE","C19 H26 N4 O10 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(COc1ccc(cc1)[N+]([O-])=O)CO;N[CH](CCC(=O)N[CH](CS[CH](CO)COc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1[N+](=O)[O-])OCC(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1","","2000-02-10","2011-06-04","L-gamma-glutamyl-S-{(1S)-2-hydroxy-1-[(4-nitrophenoxy)methyl]ethyl}-L-cysteinylglycine",""],["10R","1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane","C17 H42 B10 O4","CCC(O)(CC)CCCC[C]1234[BH]567[BH]189[BH]2%10%11[BH]3%12%13[BH]45%14[BH]6%15%16[BH]78%17[BH]9%10%18[BH]%11%12%19[BH]%13%14%15[C]%16%17%18%19CCOC[CH](O)CCO;[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOCC(CCO)O)CCCCC(CC)(CC)O","InChI=1S/C17H42B10O4/c1-3-15(30,4-2)8-5-6-9-16-18-19(16)21(16)22(16)20(16,18)24(18)17(10-12-31-13-14(29)7-11-28)23(18,19,24)25(17,19,21)27(17,21,22)26(17,20,22)24/h14,18-30H,3-13H2,1-2H3/t14-/m1/s1","","2011-11-28","2012-02-03","",""],["EPZ","(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid","C20 H31 N3 O19 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(C(=O)O)C)C3NC(=O)C)CO)O)O;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1","","2011-07-12","2024-09-27","(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid (non-preferred name)",""],["10S","1-(2-[(S)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane","C17 H42 B10 O4","CCC(O)(CC)CCCC[C]1234[BH]567[BH]189[BH]2%10%11[BH]3%12%13[BH]45%14[BH]6%15%16[BH]78%17[BH]9%10%18[BH]%11%12%19[BH]%13%14%15[C]%16%17%18%19CCOC[CH](O)CCO;[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOCC(CCO)O)CCCCC(CC)(CC)O","InChI=1S/C17H42B10O4/c1-3-15(30,4-2)8-5-6-9-16-18-19(16)21(16)22(16)20(16,18)24(18)17(10-12-31-13-14(29)7-11-28)23(18,19,24)25(17,19,21)27(17,21,22)26(17,20,22)24/h14,18-30H,3-13H2,1-2H3/t14-/m0/s1","","2011-11-28","2012-02-03","",""],["EQ0","[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanyl-7-oxidanyl-imidazo[4,5-b]pyridin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C11 H15 N4 O8 P","Nc1cc(O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1c(c2c(nc1N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)O","InChI=1S/C11H15N4O8P/c12-6-1-4(16)7-10(14-6)15(3-13-7)11-9(18)8(17)5(23-11)2-22-24(19,20)21/h1,3,5,8-9,11,17-18H,2H2,(H3,12,14,16)(H2,19,20,21)/t5-,8-,9-,11-/m1/s1","","2022-01-12","2022-08-22","[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanyl-7-oxidanyl-imidazo[4,5-b]pyridin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-07-20"],["10T","5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid","C19 H24 N2 O2","O=C(O)c1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)C)C;CC(C)Cc1nc(C)c(C(O)=O)c(c2ccc(C)cc2)c1CN;Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN","InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)","TAK-986","2010-08-06","2021-03-01","5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid",""],["EQ1","2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium","C23 H30 N13 O14 P2","NC1=Nc2c(ncn2C2OC(COP(=O)(O)[n+]3ccn(c3N)P(=O)(O)OCC3OC(n4cnc5c4N=C(N)NC5=O)C(O)C3O)C(O)C2O)C(=O)N1;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4cc[n+](c4N)[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7C(=O)NC(=Nc67)N)[CH](O)[CH]3O;c1c[n+](c(n1P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)N)P(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O","InChI=1S/C23H29N13O14P2/c24-21-29-15-9(17(41)31-21)27-5-33(15)19-13(39)11(37)7(49-19)3-47-51(43,44)35-1-2-36(23(35)26)52(45,46)48-4-8-12(38)14(40)20(50-8)34-6-28-10-16(34)30-22(25)32-18(10)42/h1-2,5-8,11-14,19-20,26,37-40H,3-4H2,(H8,24,25,29,30,31,32,41,42,43,44,45,46)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2018-01-25","2024-04-25","2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name)","2018-05-30"],["10U","(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide","C20 H29 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CNC3CCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)CNC3CCCC3)C(=N)N","InChI=1S/C20H29N5O2/c21-19(22)15-9-7-14(8-10-15)12-24-20(27)17-6-3-11-25(17)18(26)13-23-16-4-1-2-5-16/h7-10,16-17,23H,1-6,11-13H2,(H3,21,22)(H,24,27)/t17-/m0/s1","(2S)-1-[cyclopentylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide","2007-12-04","2021-03-01","N-cyclopentylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["EQ2","1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid","C14 H10 N2 O3","CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O;CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2","InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19)","","2018-04-07","2018-08-31","1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid","2018-09-05"],["10V","3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","C24 H22 N6 O2 S","O=C4N(C(=[N@H])NC5(c2scc(c1cc(C#N)ccc1)c2)CN(c3ncccc3OC)CC45)C;COc1cccnc1N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4scc(c4)c5cccc(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5c(cccn5)OC","InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(21-19(32-2)7-4-8-27-21)14-24(18,28-23(29)26)20-10-17(13-33-20)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1","","2012-09-24","2012-11-02","3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","2012-11-02"],["EQ3","(3'R)-3'-hydroxy-beta,beta-caroten-4-one","C40 H54 O2","CC1(CC(O)CC(C)=C1[C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C=2C(CCC(C=2C)=O)(C)C)C;CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)C(C)(C)C[CH](O)C1;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C","InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1","3'-Hydroxyechinenone; 3'-OH-Echinenone","2016-12-19","2020-05-27","(3'R)-3'-hydroxy-beta,beta-caroten-4-one","2017-01-18"],["10W","2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile","C24 H20 F N5 O S","Fc5ccc(c1sc(cc1)C42NC(=[N@H])N(C(=O)C2CN(c3ccccc3)C4)C)cc5C#N;CN1C(=N)N[C]2(CN(C[CH]2C1=O)c3ccccc3)c4sc(cc4)c5ccc(F)c(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3ccc(s3)c4ccc(c(c4)C#N)F)c5ccccc5","InChI=1S/C24H20FN5OS/c1-29-22(31)18-13-30(17-5-3-2-4-6-17)14-24(18,28-23(29)27)21-10-9-20(32-21)15-7-8-19(25)16(11-15)12-26/h2-11,18H,13-14H2,1H3,(H2,27,28)/t18-,24-/m0/s1","","2012-09-24","2012-10-12","2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile","2012-10-12"],["EQ4","5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine","C13 H17 N8 O7 P","P(OCC1OC(C(C1O)O)n3c2N=C(NC(c2nc3)=O)N)(O)(=O)n4ccnc4N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4ccnc4N)[CH](O)[CH]3O;c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C13H17N8O7P/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(28-11)3-27-29(25,26)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,26)(H3,14,18,19,24)/t5-,7-,8-,11-/m1/s1","","2018-01-25","2018-05-25","5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine","2018-05-30"],["EQ5","3-indol-1-ylpropanoic acid","C11 H11 N O2","OC(=O)CCn1ccc2ccccc12;c1ccc2c(c1)ccn2CCC(=O)O","InChI=1S/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14)","","2018-04-09","2019-04-19","3-indol-1-ylpropanoic acid","2019-04-24"],["10X","(9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid","C18 H30 O3","O=C(O)CCCCCCC/C=CCC1OC1CC=C/CC;CCC=CC[CH]1O[CH]1CC=CCCCCCCCC(O)=O;CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O","InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-/t16-,17-/m0/s1","","2012-09-27","2012-10-12","(9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid","2012-10-12"],["EQ7","8-chloro-2-(2,4-dichloroanilino)-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one","C20 H16 Cl3 N3 O4","CC(C)CC(=O)C=1C(=O)c2c(NC=1Nc1ccc(Cl)cc1Cl)c(Cl)ccc2[N+]([O-])=O;CC(C)CC(=O)C1=C(Nc2ccc(Cl)cc2Cl)Nc3c(Cl)ccc(c3C1=O)[N+]([O-])=O;CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)[N+](=O)[O-])Cl)Nc3ccc(cc3Cl)Cl","InChI=1S/C20H16Cl3N3O4/c1-9(2)7-15(27)17-19(28)16-14(26(29)30)6-4-11(22)18(16)25-20(17)24-13-5-3-10(21)8-12(13)23/h3-6,8-9H,7H2,1-2H3,(H2,24,25,28)","","2018-01-25","2026-04-05","8-chloro-2-(2,4-dichloroanilino)-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one","2019-06-12"],["10Y","(9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid","C18 H30 O3","O=C(O)CCCCCCC/C=CCC1OC1CC=C/CC;CCC=CC[CH]1O[CH]1CC=CCCCCCCCC(O)=O;CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O","InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-/t16-,17+/m0/s1","","2012-09-27","2012-10-12","(9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid","2012-10-12"],["EQ8","[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium","C19 H22 F3 N4 O4 S2","FC(F)(F)c1cc([NH+]=O)c2SC(=NC(=O)c2c1)N3CCN(CC3)[S](=O)(=O)C4CCCCC4;c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F","InChI=1S/C19H21F3N4O4S2/c20-19(21,22)12-10-14-16(15(11-12)24-28)31-18(23-17(14)27)25-6-8-26(9-7-25)32(29,30)13-4-2-1-3-5-13/h10-11,13H,1-9H2/p+1","","2018-04-09","2018-07-27","[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium","2018-08-01"],["10Z","N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine","C23 H23 N5 O","n3c1c(cc(cc1)c2ccncc2)cnc3Nc4ccc(cc4)CNCCOC;COCCNCc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1;COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4","InChI=1S/C23H23N5O/c1-29-13-12-25-15-17-2-5-21(6-3-17)27-23-26-16-20-14-19(4-7-22(20)28-23)18-8-10-24-11-9-18/h2-11,14,16,25H,12-13,15H2,1H3,(H,26,27,28)","","2012-09-28","2013-02-22","N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine","2013-02-22"],["110","3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER","C28 H38 N4 O7 S","O=C(OCCCC)C(O)C(NC(=O)c1ccc2n1C(=O)CN(C2)S(=O)(=O)Cc3ccccc3)C4CCC(N)CC4;CCCCOC(=O)[CH](O)[CH](NC(=O)c1ccc2CN(CC(=O)n12)[S](=O)(=O)Cc3ccccc3)[CH]4CC[CH](N)CC4;CCCCOC(=O)C(C(C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O","InChI=1S/C28H38N4O7S/c1-2-3-15-39-28(36)26(34)25(20-9-11-21(29)12-10-20)30-27(35)23-14-13-22-16-31(17-24(33)32(22)23)40(37,38)18-19-7-5-4-6-8-19/h4-8,13-14,20-21,25-26,34H,2-3,9-12,15-18,29H2,1H3,(H,30,35)/t20-,21-,25-,26-/m0/s1","BCH-10556","2000-11-07","2024-09-27","butyl (2S,3S)-3-(trans-4-aminocyclohexyl)-3-({[2-(benzylsulfonyl)-4-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]carbonyl}amino)-2-hydroxypropanoate",""],["EQ9","1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one","C22 H26 N6 O3","Cc1onc(n1)c2ccc(OCCCCCN3CCN(C3=O)c4ccnc(N)c4)cc2;Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N","InChI=1S/C22H26N6O3/c1-16-25-21(26-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-27-12-13-28(22(27)29)18-9-10-24-20(23)15-18/h5-10,15H,2-4,11-14H2,1H3,(H2,23,24)","","2020-01-20","2020-03-06","1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one","2020-03-11"],["111","(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE","C16 H25 N3 O7 S2","O=S(=O)(c1ccc(OCCCC)cc1)N2C(C(=O)NO)CC(NS(=O)(=O)C)C2;CCCCOc1ccc(cc1)[S](=O)(=O)N2C[CH](C[CH]2C(=O)NO)N[S](C)(=O)=O;CCCCOc1ccc(cc1)S(=O)(=O)N2CC(CC2C(=O)NO)NS(=O)(=O)C","InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1","","2000-11-07","2011-06-04","(4S)-1-[(4-butoxyphenyl)sulfonyl]-N-hydroxy-4-[(methylsulfonyl)amino]-D-prolinamide",""],["EQA","(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid","C10 H7 F O4","c1cccc(c1C([C@H]=C(C(O)=O)O)=O)F;OC(=O)C(O)=CC(=O)c1ccccc1F;c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F","InChI=1S/C10H7FO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-","","2018-01-26","2018-08-31","(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid","2018-09-05"],["112","THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER","C12 H19 N6 O13 P3 S","O=P(O)(SCC(=O)N)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;NC(=O)CS[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)N)O)O)N","InChI=1S/C12H19N6O13P3S/c13-6(19)2-35-34(26,27)31-33(24,25)30-32(22,23)28-1-5-8(20)9(21)12(29-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2H2,(H2,13,19)(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1","","2000-12-04","2024-09-27","5'-O-[(S)-{[(S)-{[(R)-[(2-amino-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["EQB","(2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]\namino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid","C25 H38 N2 O7","CC[CH](C)[CH]([CH](O)C(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)OCc1ccccc1)C(O)=O;CCC(C)C(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OCc1ccccc1)O)C(=O)O","InChI=1S/C25H38N2O7/c1-7-16(6)18(24(31)32)21(28)23(30)26-19(14(2)3)22(29)27-20(15(4)5)25(33)34-13-17-11-9-8-10-12-17/h8-12,14-16,18-21,28H,7,13H2,1-6H3,(H,26,30)(H,27,29)(H,31,32)/t16-,18-,19-,20-,21+/m0/s1","Cystargolide B Derivative","2018-04-09","2020-06-17","(2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid","2018-09-12"],["113","7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID","C15 H14 O8","O=C(O)c2c1C(=O)C3=C(Oc1cc(O)c2O)CC(OC3OC)C;CO[CH]1O[CH](C)CC2=C1C(=O)c3c(O2)cc(O)c(O)c3C(O)=O;CC1CC2=C(C(O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2","InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)/t5-,15+/m0/s1","","2000-12-07","2011-06-04","(1R,3S)-7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid",""],["EQC","Arctigenin","C21 H24 O6","COc1cc(C[CH]2[CH](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O;COc1ccc(cc1OC)CC2COC(=O)C2Cc3ccc(c(c3)OC)O","InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1","(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one","2020-01-20","2021-04-09","(3~{R},4~{R})-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one","2021-04-14"],["EQD","5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol","C18 H16 Cl2 N2 O2","c3(Cl)c(CCc1n(ccn1)Cc2ccccc2)c(Cl)c(cc3O)O;Oc1cc(O)c(Cl)c(CCc2nccn2Cc3ccccc3)c1Cl;c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl","InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2","","2018-01-26","2018-04-13","5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol","2018-04-18"],["114","(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h\neptanoic acid","C23 H36 O6","O=C(O)CC(O)CC(O)CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C;CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH](O)C[CH](O)CC(O)=O)[CH]12;CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O","InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,20-,22-/m0/s1","Hydrolyzed Compactin; Hydrolyzed Mevastatin","2001-01-15","2020-06-17","(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid",""],["EQE","(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid","C24 H36 N2 O7","CC(C)[CH](NC(=O)[CH](O)[CH](C(C)C)C(O)=O)C(=O)N[CH](C(C)C)C(=O)OCc1ccccc1;CC(C)C(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OCc1ccccc1)O)C(=O)O","InChI=1S/C24H36N2O7/c1-13(2)17(23(30)31)20(27)22(29)25-18(14(3)4)21(28)26-19(15(5)6)24(32)33-12-16-10-8-7-9-11-16/h7-11,13-15,17-20,27H,12H2,1-6H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19-,20+/m0/s1","","2018-04-09","2018-09-07","(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid","2018-09-12"],["115","(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid","C24 H26 F N O4","c12ccccc1n(c(c2c3ccc(cc3)F)C=CC(CC(O)CC(=O)O)O)C(C)C;CC(C)n1c2ccccc2c(c3ccc(F)cc3)c1C=C[CH](O)C[CH](O)CC(O)=O;CC(C)n1c2ccccc2c(c1C=CC(CC(CC(=O)O)O)O)c3ccc(cc3)F","InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1","FLUVASTATIN","2001-01-16","2020-06-17","(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid",""],["116","7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID","C26 H36 F N O5","O=C(O)CC(O)CC(O)CCc1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C;COCc1c(nc(C(C)C)c(CC[CH](O)C[CH](O)CC(O)=O)c1c2ccc(F)cc2)C(C)C;CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C26H36FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-9,15-16,19-20,29-30H,10-14H2,1-5H3,(H,31,32)/t19-,20-/m1/s1","CERIVASTATIN","2001-01-16","2020-06-17","(3R,5R)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)pyridin-3-yl]-3,5-dihydroxyheptanoic acid",""],["EQF","(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione","C12 H11 Cl F3 N3 O2","C[CH]1[CH](C)C(=O)N(Nc2ccc(c(Cl)n2)C(F)(F)F)C1=O;CC1C(C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C","InChI=1S/C12H11ClF3N3O2/c1-5-6(2)11(21)19(10(5)20)18-8-4-3-7(9(13)17-8)12(14,15)16/h3-6H,1-2H3,(H,17,18)/t5-,6+","","2020-01-21","2024-09-27","(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione","2021-06-23"],["117","7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID","C33 H35 F N2 O5","O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C;CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)Nc4ccccc4;CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4","InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1","ATORVASTATIN","2001-01-17","2020-06-17","(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid",""],["EQG","benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate","C37 H55 N7 O7","C(NC(CCON/C(N)=N)C(NC(C(NC(C(O)CC(NCCc1ccccc1)=O)CC(C)C)=O)C2CCCCC2)=O)(OCc3ccccc3)=O;CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](CCONC(N)=N)NC(=O)OCc1ccccc1)C2CCCCC2)[CH](O)CC(=O)NCCc3ccccc3;CC(C)CC(C(CC(=O)NCCc1ccccc1)O)NC(=O)C(C2CCCCC2)NC(=O)C(CCONC(=N)N)NC(=O)OCc3ccccc3","InChI=1S/C37H55N7O7/c1-25(2)22-30(31(45)23-32(46)40-20-18-26-12-6-3-7-13-26)41-35(48)33(28-16-10-5-11-17-28)43-34(47)29(19-21-51-44-36(38)39)42-37(49)50-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,25,28-31,33,45H,5,10-11,16-24H2,1-2H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H4,38,39,44)/t29-,30-,31-,33-/m0/s1","","2018-01-26","2018-06-08","benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate","2018-06-13"],["118","TETRAPHENYLANTIMONIUM ION","C24 H20 Sb","c1c(cccc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4","InChI=1S/4C6H5.Sb/c4*1-2-4-6-5-3-1;/h4*1-5H;/q;;;;+1","","2000-05-09","2011-06-04","tetraphenylstibonium",""],["EQH","cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid","C18 H21 N3 O2 S","O=C(O)C4CCC(c3nc(c1sccc1C2CC2)cnc3N)CC4;Nc1ncc(nc1[CH]2CC[CH](CC2)C(O)=O)c3sccc3C4CC4;c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N","InChI=1S/C18H21N3O2S/c19-17-15(11-3-5-12(6-4-11)18(22)23)21-14(9-20-17)16-13(7-8-24-16)10-1-2-10/h7-12H,1-6H2,(H2,19,20)(H,22,23)/t11-,12+","","2010-07-07","2011-06-04","cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid",""],["119","TETRAPHENYLPHOSPHONIUM ION","C24 H20 P","c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4","InChI=1/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1","","2000-05-09","2008-10-14","tetraphenylphosphonium",""],["EQI","EQUILIN","C18 H20 O2","O=C3CCC4C2=CCc1c(ccc(O)c1)C2CCC34C;C[C]12CC[CH]3C(=CCc4cc(O)ccc34)[CH]1CCC2=O;CC12CCC3c4ccc(cc4CC=C3C1CCC2=O)O","InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1","","1999-12-08","2011-06-04","3-hydroxyestra-1,3,5(10),7-tetraen-17-one",""],["11A","UNDECANOIC ACID","C11 H22 O2","O=C(O)CCCCCCCCCC;CCCCCCCCCCC(O)=O;CCCCCCCCCCC(=O)O","InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)","","2004-12-17","2011-06-04","undecanoic acid",""],["EQJ","(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine","C14 H22 N5 O7 P","Cc1ncc(COP(O)(=O)O)c(C=NC(CCCNC(N)=N)C(=O)O)c1O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCCNC(N)=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCCNC(=N)N)C(=O)O)O","InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m0/s1","","2018-01-28","2018-08-31","(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine","2018-09-05"],["11B","(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE","C23 H31 N4 O7 P","O=C(OCc1ccccc1)NC(CCCCC)P(=O)(O)OC(c2cc(NC(=[N@H])N)ccc2)C(=O)O;CCCCC[CH](NC(=O)OCc1ccccc1)[P](O)(=O)O[CH](C(O)=O)c2cccc(NC(N)=N)c2;[H]N=C(N)Nc1cccc(c1)C(C(=O)O)OP(=O)(C(CCCCC)NC(=O)OCc2ccccc2)O","InChI=1S/C23H31N4O7P/c1-2-3-5-13-19(27-23(30)33-15-16-9-6-4-7-10-16)35(31,32)34-20(21(28)29)17-11-8-12-18(14-17)26-22(24)25/h4,6-12,14,19-20H,2-3,5,13,15H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H4,24,25,26)/t19-,20+/m1/s1","","2007-04-20","2011-06-04","(5R,6S,8S)-8-(3-carbamimidamidophenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide",""],["EQK","N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide","C20 H17 F3 N6 O3 S","COc1ncnc(OC)c1C(=O)Nc2sc(c3ccnc(c3)C(C)(C)C#N)c(n2)C(F)(F)F;CC(C)(C#N)c1cc(ccn1)c2c(nc(s2)NC(=O)c3c(ncnc3OC)OC)C(F)(F)F","InChI=1S/C20H17F3N6O3S/c1-19(2,8-24)11-7-10(5-6-25-11)13-14(20(21,22)23)28-18(33-13)29-15(30)12-16(31-3)26-9-27-17(12)32-4/h5-7,9H,1-4H3,(H,28,29,30)","","2022-04-21","2022-11-04","~{N}-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide","2022-11-09"],["11C","(2R)-2-aminohexanedioic acid","C6 H11 N O4","O=C(O)C(N)CCCC(=O)O;N[CH](CCCC(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)O","InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1","D-2-aminoadipate","2010-12-09","2021-03-01","(2R)-2-aminohexanedioic acid",""],["EQL","1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid","C14 H7 N O6","OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23;c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O","InChI=1S/C14H7NO6/c16-11-5-1-3-7(13(18)19)10-8(14(20)21)4-2-6(9(5)10)12(17)15-11/h1-4H,(H,18,19)(H,20,21)(H,15,16,17)","","2020-01-21","2020-06-19","1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid","2020-06-24"],["EQM","methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","C36 H52 Br N5 O6","COC(=O)N[CH](C(=O)NN(CCC[C](O)(Cc1ccccc1)C(=O)N[CH](C(=O)NCC=C)C(C)(C)C)Cc2ccc(Br)cc2)C(C)(C)C;CC(C)(C)C(C(=O)NCC=C)NC(=O)C(CCCN(Cc1ccc(cc1)Br)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O","InChI=1S/C36H52BrN5O6/c1-9-21-38-30(43)28(34(2,3)4)39-32(45)36(47,23-25-14-11-10-12-15-25)20-13-22-42(24-26-16-18-27(37)19-17-26)41-31(44)29(35(5,6)7)40-33(46)48-8/h9-12,14-19,28-29,47H,1,13,20-24H2,2-8H3,(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t28-,29-,36-/m1/s1","","2013-03-01","2013-11-01","methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","2013-11-06"],["11D","11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid","C23 H34 N2 O4 S","O=C(O)CCCCCCCCCCNS(=O)(=O)c2cccc1c(cccc12)N(C)C;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCCCC(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O","InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)","11-(Dansylamino)undecanoic acid","2010-07-20","2020-06-17","11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid",""],["EQN","4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid","C22 H25 N O3","CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc3ccc(cc3)C(O)=O;CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C","InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)","","2009-11-13","2011-06-04","4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonylamino]benzoic acid",""],["11E","N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine","C10 H9 N3 O3 S","O=C(O)CNC(=O)c1ccc2nc(sc2c1)N;Nc1sc2cc(ccc2n1)C(=O)NCC(O)=O;c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N","InChI=1S/C10H9N3O3S/c11-10-13-6-2-1-5(3-7(6)17-10)9(16)12-4-8(14)15/h1-3H,4H2,(H2,11,13)(H,12,16)(H,14,15)","","2012-09-28","2013-10-25","N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine","2013-10-30"],["11F","5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C22 H22 N4 O","C(#CC(c2ccc(c1ccccc1)c(OC)c2)C)c3c(nc(nc3C)N)N;COc1cc(ccc1c2ccccc2)[CH](C)C#Cc3c(C)nc(N)nc3N;Cc1c(c(nc(n1)N)N)C#CC(C)c2ccc(c(c2)OC)c3ccccc3","InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/m1/s1","2,4-Diamino-5-[3S-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine","2009-01-13","2020-06-17","5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["EQO","4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid","C29 H24 O2","CC1(C)CC=C(C#Cc2ccccc2)c3cc(C=Cc4ccc(cc4)C(O)=O)ccc13;CC1(CC=C(c2c1ccc(c2)C=Cc3ccc(cc3)C(=O)O)C#Cc4ccccc4)C","InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+","","2009-11-16","2011-06-04","4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid",""],["11G","(7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one","C14 H20 N4 O","O=C1N(c3cncnc3N(C1CC)C2CCCC2)C;CC[CH]1N(C2CCCC2)c3ncncc3N(C)C1=O;CCC1C(=O)N(c2cncnc2N1C3CCCC3)C","InChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1","","2012-12-03","2013-11-15","(7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one","2013-11-20"],["EQP","(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol","C10 H20 N O9 P","O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO;CC(=O)N[CH]1[CH](O)C[CH](O[CH]1[CH](O)[CH](O)CO)[P](O)(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)P(=O)(O)O)O","InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1","(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID","1999-07-08","2020-07-17","(1R)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol",""],["11H","9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid","C14 H8 O8 S2","O=S(=O)(O)c3ccc2C(=O)c1c(ccc(c1)S(=O)(=O)O)C(=O)c2c3;O[S](=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[S](O)(=O)=O;c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O","InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)","","2012-09-28","2012-12-21","9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid","2012-12-21"],["EQQ","Ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)","C40 H20 N14 Ru","[Ru].N#Cc1cc2nc3c4cccnc4c5ncccc5c3nc2cc1C#N.c6cnc7c(ccc8nccnc78)n6.c9cnc%10c(ccc%11nccnc%10%11)n9;c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N","InChI=1S/C20H8N6.2C10H6N4.Ru/c21-9-11-7-15-16(8-12(11)10-22)26-20-14-4-2-6-24-18(14)17-13(19(20)25-15)3-1-5-23-17;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;2*1-6H;","","2018-04-10","2019-04-19","","2019-04-24"],["11I","methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate","C25 H28 Cl N O4","COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2C)Cc3ccc(Cl)cc3;Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)OC)O","InChI=1S/C25H28ClNO4/c1-18-5-3-4-6-20(18)17-27-13-11-25(12-14-27,16-19-7-9-21(26)10-8-19)23(29)15-22(28)24(30)31-2/h3-10,15,28H,11-14,16-17H2,1-2H3/b22-15-","","2021-06-01","2022-02-11","methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["EQR","3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid","C14 H12 N4 O5","OC(=O)CCC1=NN2c3ccccc3N(CC(O)=O)C2=NC1=O;c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O","InChI=1S/C14H12N4O5/c19-11(20)6-5-8-13(23)15-14-17(7-12(21)22)9-3-1-2-4-10(9)18(14)16-8/h1-4H,5-7H2,(H,19,20)(H,21,22)","","2020-01-21","2020-06-19","3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid","2020-06-24"],["11J","N-biphenyl-3-yl-2-iodobenzamide","C19 H14 I N O","Ic1ccccc1C(=O)Nc2cccc(c2)c3ccccc3;c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I","InChI=1S/C19H14INO/c20-18-12-5-4-11-17(18)19(22)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,21,22)","","2010-02-23","2011-06-04","2-iodo-N-(3-phenylphenyl)benzamide",""],["EQS","(1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C23 H37 N5 O8 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N","InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21-/m0/s1","","2021-12-10","2024-09-27","(1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["EQT","4-chloranyl-1~{H}-indazol-3-amine","C7 H6 Cl N3","Nc1n[nH]c2cccc(Cl)c12;c1cc2c(c(c1)Cl)c(n[nH]2)N","InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)","","2018-04-10","2018-05-25","4-chloranyl-1~{H}-indazol-3-amine","2018-05-30"],["11K","N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide","C20 H26 N4 O2","O=C(Nc1nnc(c1)C2CC2)Cc4ccc(OCCN3CCCC3)cc4;O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc3cc([nH]n3)C4CC4;c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4","InChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25)","","2011-07-05","2013-05-03","N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}acetamide","2013-05-08"],["EQU","EQUILENIN","C18 H18 O2","O=C4C3(CCc1c(ccc2c1ccc(O)c2)C3CC4)C;C[C]12CCc3c(ccc4cc(O)ccc34)[CH]1CCC2=O;CC12CCc3c4ccc(cc4ccc3C1CCC2=O)O","InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1","","1999-07-08","2011-06-04","3-hydroxyestra-1,3,5(10),6,8-pentaen-17-one",""],["11M","1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine","C23 H24 N2 O2 S2","O=C(c1sc(SC)c2ccccc12)N5CCC3(c4cc(ccc4OC3)CN)CC5;CSc1sc(C(=O)N2CCC3(CC2)COc4ccc(CN)cc34)c5ccccc15;CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN","InChI=1S/C23H24N2O2S2/c1-28-22-17-5-3-2-4-16(17)20(29-22)21(26)25-10-8-23(9-11-25)14-27-19-7-6-15(13-24)12-18(19)23/h2-7,12H,8-11,13-14,24H2,1H3","","2008-01-10","2011-06-04","1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine",""],["11N","1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine","C22 H24 N2 O2","O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)C=Cc4ccccc4;NCc1ccc2OCC3(CCN(CC3)C(=O)C=Cc4ccccc4)c2c1;c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN","InChI=1S/C22H24N2O2/c23-15-18-6-8-20-19(14-18)22(16-26-20)10-12-24(13-11-22)21(25)9-7-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16,23H2/b9-7+","","2008-01-10","2011-06-04","1-{1'-[(2E)-3-phenylprop-2-enoyl]spiro[1-benzofuran-3,4'-piperidin]-5-yl}methanamine",""],["EQV","Loganic acid","C16 H24 O10","CC1C(CC2C(=COC(C12)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)O;C[CH]1[CH](O)C[CH]2[CH]1[CH](OC=C2C(O)=O)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1","(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl\nic acid","2018-01-29","2020-07-17","(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl\nic acid","2018-02-07"],["11O","(TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID","C18 H32 O4","O=C(O)CCCCCCC/C=CC(O)C1OC1CCCCC;CCCCC[CH]1O[CH]1[CH](O)C=CCCCCCCCC(O)=O;CCCCCC1C(O1)C(C=CCCCCCCCC(=O)O)O","InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15-,16+,18+/m0/s1","","2001-05-07","2011-06-04","(9Z,11S)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid",""],["EQW","5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine","C9 H12 Cl N3 O","Clc1cnc(NC2CCOCC2)nc1;c1c(cnc(n1)NC2CCOCC2)Cl","InChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13)","","2018-04-10","2018-05-25","5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine","2018-05-30"],["EQX","4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid","C14 H14 N6 O3","Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1;Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O","InChI=1S/C14H14N6O3/c1-8-15-13-9-4-2-3-5-10(9)16-14(20(13)19-8)18-17-11(21)6-7-12(22)23/h2-5H,6-7H2,1H3,(H,16,18)(H,17,21)(H,22,23)","","2020-01-21","2020-06-19","4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid","2020-06-24"],["11P","[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)","C9 H13 N O7 P2","O=P(O)(O)C(O)(C2c1c(ccnc1)CC2)P(=O)(O)O;OC([CH]1CCc2ccncc12)([P](O)(O)=O)[P](O)(O)=O;c1cncc2c1CCC2C(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H13NO7P2/c11-9(18(12,13)14,19(15,16)17)8-2-1-6-3-4-10-5-7(6)8/h3-5,8,11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t8-/m1/s1","","2007-09-18","2011-06-04","[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methanediyl]bis(phosphonic acid)",""],["11Q","1-(cyclohexylmethyl)-L-proline","C12 H21 N O2","O=C(O)C2N(CC1CCCCC1)CCC2;OC(=O)[CH]1CCCN1CC2CCCCC2;C1CCC(CC1)CN2CCCC2C(=O)O","InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1","","2012-09-29","2024-09-27","1-(cyclohexylmethyl)-L-proline","2013-04-03"],["EQY","methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate","C18 H11 F2 N5 O2","c2nc1nc(c(c(n1n2)c3cc(cc(c3)F)F)C(OC)=O)c4cccnc4;COC(=O)c1c(nc2ncnn2c1c3cc(F)cc(F)c3)c4cccnc4;COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4","InChI=1S/C18H11F2N5O2/c1-27-17(26)14-15(10-3-2-4-21-8-10)24-18-22-9-23-25(18)16(14)11-5-12(19)7-13(20)6-11/h2-9H,1H3","","2018-01-29","2018-05-25","methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate","2018-05-30"],["11R","RUTHENIUM WIRE, 11 CARBON LINKER","C51 H75 N7 O Ru","CN(C)c1cccc(c1)OCCCCCCCCCCCC1=CCN2C3=C4C(C=CC31)=CC=CN4[Ru]212(N3CCCCC3C3CCCCN31)N1CCC=CC1C1CCCCN12;CN(C)c1cccc(OCCCCCCCCCCCC2=CCN3C4=C5N(C=CC=C5C=C[CH]24)[Ru]367(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24","InChI=1S/C31H41N3O.C10H18N2.C10H16N2.Ru/c1-34(2)27-16-12-17-28(24-27)35-23-11-9-7-5-3-4-6-8-10-14-25-20-22-33-31-29(25)19-18-26-15-13-21-32-30(26)31;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12-13,15-21,24,29H,3-11,14,22-23H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6/t;;9?,10-;/m..0./s1","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[11-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)UNDECYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM","2006-02-27","2021-05-21","[(1R,1'R,2S,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-({11-[(1S,4aS,10S)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]undecyl}oxy)anilinato(2-)][(1R,6S)-6-[(1R,2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["EQZ","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one","C20 H23 Cl N4 O3","COCCN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl;COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl","InChI=1S/C20H23ClN4O3/c1-27-9-6-25-12-14-3-2-13(10-16(14)19(25)26)18-17(21)11-22-20(24-18)23-15-4-7-28-8-5-15/h2-3,10-11,15H,4-9,12H2,1H3,(H,22,23,24)","","2018-04-10","2018-05-25","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one","2018-05-30"],["11S","5-chloro-1H-indole","C8 H6 Cl N","Clc1cc2c(cc1)ncc2;Clc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1Cl","InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H","","2009-01-20","2011-06-04","5-chloro-1H-indole",""],["ER0","[(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate","C26 H52 O5","CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(=O)OC[CH](O)[CH](O)CO;CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(=O)OCC(C(CO)O)O","InChI=1S/C26H52O5/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-26(30)31-19-25(29)24(28)18-27/h20-25,27-29H,6-19H2,1-5H3/t21-,22-,23-,24+,25-/m1/s1","","2020-01-16","2020-11-20","[(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate","2020-11-25"],["ER2","Fe4S4","Fe4 S4","S1[Fe]S[Fe]S[Fe]S[Fe]1;S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34","InChI=1S/4Fe.4S","","2018-04-10","2018-06-08","","2018-06-13"],["11U","(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide","C21 H31 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CNC3CCCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)CNC3CCCCC3)C(=N)N","InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1","(2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide","2007-12-04","2020-06-17","N-cyclohexylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["11V","1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C25 H27 Cl N6 O S","ClC(c1ccccc1)Cn4ncc3c(nc(SCCN2CCOCC2)nc34)Nc5ccccc5;Cl[CH](Cn1ncc2c(Nc3ccccc3)nc(SCCN4CCOCC4)nc12)c5ccccc5;c1ccc(cc1)C(Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl","InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)/t22-/m0/s1","","2012-10-01","2015-02-27","1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2015-03-04"],["ER3","ERBIUM (III) ION","Er","[Er+3];[Er+3];[Er+3]","InChI=1S/Er/q+3","","2005-07-13","2011-06-04","erbium",""],["ER4","(3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol","C25 H30 N2 O3","OC4(C#Cc1ccc(OCCCOC)nc1Cc2ccccc2)C3CCN(CC3)C4;COCCCOc1ccc(C#C[C]2(O)CN3CCC2CC3)c(Cc4ccccc4)n1;COCCCOc1ccc(c(n1)Cc2ccccc2)C#CC3(CN4CCC3CC4)O","InChI=1S/C25H30N2O3/c1-29-16-5-17-30-24-9-8-21(23(26-24)18-20-6-3-2-4-7-20)10-13-25(28)19-27-14-11-22(25)12-15-27/h2-4,6-9,22,28H,5,11-12,14-19H2,1H3/t25-/m1/s1","","2013-06-13","2014-06-13","(3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol","2014-06-18"],["11W","(4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid","C20 H21 N3 O4","O=C(O)C(N)CC(C(=O)O)C/C=C/c2ccc(/N=N/c1ccccc1)cc2;N[CH](C[CH](CC=Cc1ccc(cc1)N=Nc2ccccc2)C(O)=O)C(O)=O;c1ccc(cc1)N=Nc2ccc(cc2)C=CCC(CC(C(=O)O)N)C(=O)O","InChI=1S/C20H21N3O4/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27)/b5-4+,23-22+/t15-,18+/m1/s1","trans-GluAzo","2012-10-01","2020-06-17","(4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid","2013-09-25"],["11X","N-(pyridin-3-ylmethyl)aniline","C12 H12 N2","n1cccc(c1)CNc2ccccc2;C(Nc1ccccc1)c2cccnc2;c1ccc(cc1)NCc2cccnc2","InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2","PHENYL-PYRIDIN-3-YLMETHYL-AMINE","2008-09-18","2021-03-01","N-(pyridin-3-ylmethyl)aniline",""],["ER5","4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid","C27 H35 F3 N2 O4 S2","N[S](=O)(=O)c1c(F)c(F)c(SCCc2ccc(cc2)C(O)=O)c(F)c1NC3CCCCCCCCCCC3;c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O","InChI=1S/C27H35F3N2O4S2/c28-21-22(29)26(38(31,35)36)24(32-20-10-8-6-4-2-1-3-5-7-9-11-20)23(30)25(21)37-17-16-18-12-14-19(15-13-18)27(33)34/h12-15,20,32H,1-11,16-17H2,(H,33,34)(H2,31,35,36)","","2018-04-11","2018-06-29","4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid","2018-07-04"],["11Y","5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid","C22 H13 Br Cl N O5 S","Brc1cc(sc1)C3N(C(=O)C(O)=C3C(=O)c2ccccc2)c4cc(C(=O)O)c(Cl)cc4;OC(=O)c1cc(ccc1Cl)N2[CH](c3scc(Br)c3)C(=C(O)C2=O)C(=O)c4ccccc4;c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O","InChI=1S/C22H13BrClNO5S/c23-12-8-16(31-10-12)18-17(19(26)11-4-2-1-3-5-11)20(27)21(28)25(18)13-6-7-15(24)14(9-13)22(29)30/h1-10,18,27H,(H,29,30)/t18-/m0/s1","","2012-12-11","2014-03-14","5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid","2014-03-19"],["ER6","(3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid","C17 H17 N3 O2","OC(=O)[CH]1CCCN(C1)c2nc3ccccc3n4cccc24;c1ccc2c(c1)nc(c3n2ccc3)N4CCCC(C4)C(=O)O","InChI=1S/C17H17N3O2/c21-17(22)12-5-3-9-19(11-12)16-15-8-4-10-20(15)14-7-2-1-6-13(14)18-16/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,21,22)/t12-/m1/s1","","2020-01-21","2020-06-19","(3~{R})-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid","2020-06-24"],["11Z","11-cyclohexylundecanoic acid","C17 H32 O2","O=C(O)CCCCCCCCCCC1CCCCC1;OC(=O)CCCCCCCCCCC1CCCCC1;C1CCC(CC1)CCCCCCCCCCC(=O)O","InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)","","2014-02-13","2014-02-28","11-cyclohexylundecanoic acid","2014-03-05"],["ER7","1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one","C14 H11 F N4 O","n1c3n(nc1)c(c2cc(ccc2)F)c(c(C)n3)C(C)=O;CC(=O)c1c(C)nc2ncnn2c1c3cccc(F)c3;Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C","InChI=1S/C14H11FN4O/c1-8-12(9(2)20)13(10-4-3-5-11(15)6-10)19-14(18-8)16-7-17-19/h3-7H,1-2H3","","2018-01-29","2018-05-25","1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one","2018-05-30"],["120","2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C13 H12 N5 O","O=C3NC=CC=C3c2nc1cc(ccc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)C3=CC=CNC3=O;c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O","InChI=1S/C13H11N5O/c14-11(15)7-3-4-9-10(6-7)18-12(17-9)8-2-1-5-16-13(8)19/h1-6H,(H3,14,15)(H,16,19)(H,17,18)/p+1","","2001-01-25","2011-06-04","amino[2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzimidazol-5-yl]methaniminium",""],["ER8","~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide","C23 H28 Cl N5 O3","CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl;CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl","InChI=1S/C23H28ClN5O3/c1-23(2,3)28-19(30)13-29-12-15-5-4-14(10-17(15)21(29)31)20-18(24)11-25-22(27-20)26-16-6-8-32-9-7-16/h4-5,10-11,16H,6-9,12-13H2,1-3H3,(H,28,30)(H,25,26,27)","","2018-04-11","2018-05-25","~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide","2018-05-30"],["ER9","3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid","C12 H9 N7 O3","OC(=O)c1cccc(NC(=O)c2[nH]c(nn2)n3cnnc3)c1;c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O","InChI=1S/C12H9N7O3/c20-10(15-8-3-1-2-7(4-8)11(21)22)9-16-12(18-17-9)19-5-13-14-6-19/h1-6H,(H,15,20)(H,21,22)(H,16,17,18)","","2020-01-21","2020-06-19","3-[[5-(1,2,4-triazol-4-yl)-4~{H}-1,2,4-triazol-3-yl]carbonylamino]benzoic acid","2020-06-24"],["121","2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C13 H12 N5 O","Oc3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ncccc3O;c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O","InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)/p+1","","2001-01-25","2011-06-04","amino[2-(3-hydroxypyridin-2-yl)-1H-benzimidazol-5-yl]methaniminium",""],["ERA","(7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide","C41 H75 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCC=C/CCCCCCC=CC=CCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCC=CCCCCCCC=CC=CCCCCC;CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCC=CCCCCCCC=CC=CCCCCC)O","InChI=1S/C41H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,15,17,25,27,34,36,39-40,43-44H,3-10,12,14,16,18-24,26,28-33,35,37-38H2,1-2H3,(H,42,45)/b13-11+,17-15+,27-25-,36-34+/t39-,40-/m0/s1","","2011-04-04","2011-10-07","(7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide",""],["122","2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C14 H13 N4 O","Oc3ccccc3c2nc1ccc(cc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2nc([nH]c2c1)c3ccccc3O;c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O","InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1","","2001-01-29","2011-06-04","amino[2-(2-hydroxyphenyl)-1H-benzimidazol-6-yl]methaniminium",""],["ERB","Erythromycin B","C37 H67 N O12","O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)C(=O)[CH](C)[CH](O)[CH]1C;CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C","InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1","12-deoxyerythromycin","2013-01-24","2020-06-17","(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)","2013-05-01"],["123","2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C15 H15 N4 O2","O(c3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c(O)cc3)C;COc1ccc(O)c(c1)c2[nH]c3ccc(cc3n2)C(N)=[NH2+];COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O","InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1","","2001-01-31","2011-06-04","amino[2-(2-hydroxy-5-methoxyphenyl)-1H-benzimidazol-5-yl]methaniminium",""],["124","2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE","C15 H14 N3 O","Oc3ccccc3c2cc1cc(ccc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3ccccc3O;c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O","InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1","","2001-01-31","2011-06-04","amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium",""],["ERC","8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one","C23 H28 N2 O5 S","O=C3C=Cc1c(c(O)ccc1C(O)CNCCc2ccc(OCCCS)c(OC)c2)N3;COc1cc(CCNC[CH](O)c2ccc(O)c3NC(=O)C=Cc23)ccc1OCCCS;COc1cc(ccc1OCCCS)CCNCC(c2ccc(c3c2C=CC(=O)N3)O)O","InChI=1S/C23H28N2O5S/c1-29-21-13-15(3-7-20(21)30-11-2-12-31)9-10-24-14-19(27)16-4-6-18(26)23-17(16)5-8-22(28)25-23/h3-8,13,19,24,26-27,31H,2,9-12,14H2,1H3,(H,25,28)/t19-/m0/s1","","2010-10-25","2024-09-27","8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one",""],["125","2'-O-FLUOROETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE","C12 H18 F N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCF)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCF)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCF","InChI=1S/C12H18FN2O9P/c1-6-4-15(12(18)14-10(6)17)11-9(22-3-2-13)8(16)7(24-11)5-23-25(19,20)21/h4,7-9,11,16H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1","","2001-02-09","2011-06-04","2'-O-(2-fluoroethyl)-5-methyluridine 5'-(dihydrogen phosphate)",""],["ERD","(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE","C15 H12 O6","O=C2c3c(OC(c1ccc(O)c(O)c1)C2)cc(O)cc3O;Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(O)c3;c1cc(c(cc1C2CC(=O)c3c(cc(cc3O2)O)O)O)O","InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1","","2006-10-27","2011-06-04","(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one",""],["ERE","4-epi-vancosamine","C7 H15 N O3","OC1OC(C(O)C(N)(C)C1)C;C[CH]1O[CH](O)C[C](C)(N)[CH]1O;CC1C(C(CC(O1)O)(C)N)O","InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6-,7-/m0/s1","(1R,3S,4R,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose","2010-08-12","2024-09-27","3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose",""],["126","2'-O-METHYL-[TRI(OXYETHYL)]-5-METHYL-URIDINE-5'-MONOPHOSPHATE","C17 H29 N2 O12 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCOCCOCCOC)COP(=O)(O)O;COCCOCCOCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOCCOCCOC","InChI=1S/C17H29N2O12P/c1-11-9-19(17(22)18-15(11)21)16-14(13(20)12(31-16)10-30-32(23,24)25)29-8-7-28-6-5-27-4-3-26-2/h9,12-14,16,20H,3-8,10H2,1-2H3,(H,18,21,22)(H2,23,24,25)/t12-,13-,14-,16-/m1/s1","","2001-02-09","2011-06-04","2'-O-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)",""],["127","2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE","C12 H20 N3 O10 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCON)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCON)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCON","InChI=1S/C12H20N3O10P/c1-6-4-15(12(18)14-10(6)17)11-9(22-2-3-23-13)8(16)7(25-11)5-24-26(19,20)21/h4,7-9,11,16H,2-3,5,13H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1","","2001-02-09","2011-06-04","2'-O-[2-(aminooxy)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)",""],["ERF","phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid","C7 H9 B N3 O5 P S","OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O;B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O","InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)","","2019-08-16","2024-09-27","phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid","2020-06-24"],["128","SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE","C16 H16 N8 O19 P3","[O-][N+](=O)C1=CC(C=C([N+]([O-])=O)C21OC1C(O2)C(OC1n1cnc2c(N)ncnc21)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)=[N+](/[O-])[O-];Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+]([O-])[O-])[N+]([O-])=O;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+]([O-])[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N","InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/t7-,11-,12-,15-/m1/s1","","2001-02-28","2026-04-03","2',3'-O-{(1S)-2,6-dinitro-4-[oxido(oxo)-lambda~5~-azanylidene]cyclohexa-2,5-diene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate)",""],["ERG","ERGOSTEROL","C28 H44 O","OC4CCC3(C(=CC=C1C3CCC2(C(C(/C=C/C(C)C(C)C)C)CCC12)C)C4)C;CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2C3=CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C","InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1","","1999-07-08","2011-06-04","(3beta,14beta,17alpha,22E)-ergosta-5,7,22-trien-3-ol",""],["129","[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACID","C3 H8 N O5 P","O=P(O)(O)CCN(O)C=O;ON(CC[P](O)(O)=O)C=O;C(CP(=O)(O)O)N(C=O)O","InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)","","2001-04-24","2011-06-04","{2-[formyl(hydroxy)amino]ethyl}phosphonic acid",""],["ERH","3,4-DIMETHYLPHENOL","C8 H10 O","Cc1cc(C)cc(O)c1;Cc1cc(cc(c1)O)C","InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3","","2015-12-23","2016-05-13","3,5-dimethylphenol","2016-05-18"],["ERI","3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose","C9 H16 O5","O=C(OC1C(OC(O)CC1(O)C)C)C;C[CH]1O[CH](O)C[C](C)(O)[CH]1OC(C)=O;CC1C(C(CC(O1)O)(C)O)OC(=O)C","InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7+,8-,9-/m0/s1","4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO-HEXOPYRANOSE; 3-C-methyl-4-O-acetyl-alpha-L-Olivose;\n3-C-methyl-4-O-acetyl-L-Olivose; 3-C-methyl-4-O-acetyl-Olivose","1999-07-08","2020-07-17","4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranose",""],["12A","2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE","C16 H23 N6 O11 P S","O=C(O)C(NC(=O)Nc3nc(SC)nc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C;CSc1nc(NC(=O)N[CH]([CH](C)O)C(O)=O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;CC(C(C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)O","InChI=1S/C16H23N6O11PS/c1-5(23)7(14(26)27)18-15(28)19-11-8-12(21-16(20-11)35-2)22(4-17-8)13-10(25)9(24)6(33-13)3-32-34(29,30)31/h4-7,9-10,13,23-25H,3H2,1-2H3,(H,26,27)(H2,29,30,31)(H2,18,19,20,21,28)/t5-,6-,7+,9-,10-,13-/m1/s1","","2000-08-09","2011-06-04","(2S,3R)-2-({[9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2-(methylsulfanyl)-9H-purin-6-yl]carbamoyl}amino)-3-hydroxybutanoic acid (non-preferred name)",""],["ERJ","9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine","C14 H14 N4 O4 S","n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)c4cscc4;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c2ncnc3c4cscc4;c1cscc1c2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C14H14N4O4S/c19-3-8-11(20)12(21)14(22-8)18-6-17-10-9(7-1-2-23-4-7)15-5-16-13(10)18/h1-2,4-6,8,11-12,14,19-21H,3H2/t8-,11-,12-,14-/m1/s1","","2018-01-30","2019-04-26","9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine","2019-05-01"],["12B","BENZO[CD]INDOL-2(1H)-ONE","C11 H7 N O","O=C3c2cccc1cccc(c12)N3;O=C1Nc2cccc3cccc1c23;c1cc2cccc3c2c(c1)C(=O)N3","InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)","","2005-11-30","2011-06-04","benzo[cd]indol-2(1H)-one",""],["ERK","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide","C27 H28 Cl N5 O3","C[CH](NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)c5ccccc5;CC(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C27H28ClN5O3/c1-17(18-5-3-2-4-6-18)30-24(34)16-33-15-20-8-7-19(13-22(20)26(33)35)25-23(28)14-29-27(32-25)31-21-9-11-36-12-10-21/h2-8,13-14,17,21H,9-12,15-16H2,1H3,(H,30,34)(H,29,31,32)/t17-/m1/s1","","2018-04-11","2018-05-25","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide","2018-05-30"],["12C","4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE","C23 H22 Cl N5 O","Clc1ccc6c(c1)C(NC3C2CCN(CC2)C3)=C(c4nc5ccccc5n4)C(=O)N6;Clc1ccc2NC(=O)C(=C(N[CH]3CN4CCC3CC4)c2c1)c5[nH]c6ccccc6n5;c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)NC5CN6CCC5CC6","InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1","","2006-03-27","2011-06-04","4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloroquinolin-2(1H)-one",""],["12D","2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)","C16 H16 N8 O16 P2","[O-][N+](=O)C5=CC([N+]([O-])=O)=CC([N+]([O-])=O)C35OC4C(OC(n1c2ncnc(N)c2nc1)C4O3)COP(=O)(O)OP(=O)(O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[C]5(O[CH]34)[CH](C=C(C=C5[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OC5(O4)C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N","InChI=1S/C16H16N8O16P2/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(37-15)3-36-42(34,35)40-41(31,32)33)38-16(39-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H2,17,18,19)(H2,31,32,33)/t7-,8-,11-,12-,15-,16-/m1/s1","","2007-11-01","2011-06-04","2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)",""],["ERL","(1S,2S)-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid","C6 H15 N O4 S","CCCC[CH](N)[CH](O)[S](O)(=O)=O;CCCCC(C(O)S(=O)(=O)O)N","InChI=1S/C6H15NO4S/c1-2-3-4-5(7)6(8)12(9,10)11/h5-6,8H,2-4,7H2,1H3,(H,9,10,11)/t5-,6-/m0/s1","(2R)-2-acetamido-3-sulfanyl-propanoic acid","2022-01-12","2022-08-26","(1~{R},2~{S})-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid","2022-08-31"],["ERM","Ergotamine","C33 H35 N5 O5","O=C6N7C(C(=O)N1CCCC1C7(O)OC6(NC(=O)C5C=C4c2cccc3c2c(cn3)CC4N(C)C5)C)Cc8ccccc8;CN1C[CH](C=C2[CH]1Cc3c[nH]c4cccc2c34)C(=O)N[C]5(C)O[C]6(O)[CH]7CCCN7C(=O)[CH](Cc8ccccc8)N6C5=O;CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CN(C6Cc7c[nH]c8c7c(ccc8)C6=C5)C","InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1","","2013-01-23","2013-03-08","(5alpha,5'beta)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman","2013-03-13"],["12E","N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine","C13 H18 N4 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccncc2;OC[CH]1O[CH](NC(=S)NN=Cc2ccncc2)[CH](O)[CH](O)[CH]1O;c1cnccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H18N4O5S/c18-6-8-9(19)10(20)11(21)12(22-8)16-13(23)17-15-5-7-1-3-14-4-2-7/h1-5,8-12,18-21H,6H2,(H2,16,17,23)/b15-5+/t8-,9-,10+,11-,12-/m1/s1","4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucosylamine;\nN-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-D-glucosylamine;\nN-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-glucosylamine","2010-04-30","2020-07-17","N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["12F","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C43 H48 F N9 O17 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8cccc(F)c8OCc9ccccc9;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8OCc9ccccc9)F)O","InChI=1S/C43H48FN9O17P2/c1-20-11-26-27(12-21(20)2)53-31(56)13-24(23-9-6-10-25(44)36(23)66-15-22-7-4-3-5-8-22)43(53)40(49-42(61)50-41(43)60)51(26)14-28(54)33(57)29(55)16-67-71(62,63)70-72(64,65)68-17-30-34(58)35(59)39(69-30)52-19-48-32-37(45)46-18-47-38(32)52/h3-12,18-19,24,28-31,33-35,39,54-59H,13-17H2,1-2H3,(H,62,63)(H,64,65)(H2,45,46,47)(H,50,60,61)/t24-,28+,29-,30-,31-,33+,34-,35-,39-,43+/m1/s1","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[(1R,3R,3AS)-1-HYDROXY-10,11-DIMETHYL-4,6-DIOXO-3-(3-FLUORO-2-BENZYLOXYPHENYL)-2,3,5,6-TETRAHYDRO-1H-BENZO[G] PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE","2010-01-06","2021-03-13","",""],["ERN","(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY\nRAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY\n}-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE","C37 H70 N2 O12","O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)[CH](N)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O","InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1","ERYTHROMYCYLAMINE","2006-12-18","2020-06-17","(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name)",""],["12G","{4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid","C25 H17 Cl2 N O5","Clc1ccccc1C(=O)C3=C(O)C(=O)N(c2ccc(cc2)CC(=O)O)C3c4ccccc4Cl;OC(=O)Cc1ccc(cc1)N2[CH](c3ccccc3Cl)C(=C(O)C2=O)C(=O)c4ccccc4Cl;c1ccc(c(c1)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl","InChI=1S/C25H17Cl2NO5/c26-18-7-3-1-5-16(18)22-21(23(31)17-6-2-4-8-19(17)27)24(32)25(33)28(22)15-11-9-14(10-12-15)13-20(29)30/h1-12,22,32H,13H2,(H,29,30)/t22-/m0/s1","","2012-12-11","2014-03-14","{4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid","2014-03-19"],["ERO","5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C7 H6 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)/C=C;OC(=O)C1=C(C=C)C(=O)NC(=O)N1;C=CC1=C(NC(=O)NC1=O)C(=O)O","InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13)","5-vinyl-orotic acid","2012-11-19","2021-03-01","5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-20"],["ERP","6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine","C24 H20 N4 O4","n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)C#Cc5ccc(c4ccccc4)cc5;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(ncnc23)C#Cc4ccc(cc4)c5ccccc5;c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)C5C(C(C(O5)CO)O)O","InChI=1S/C24H20N4O4/c29-12-19-21(30)22(31)24(32-19)28-14-27-20-18(25-13-26-23(20)28)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,13-14,19,21-22,24,29-31H,12H2/t19-,21-,22-,24-/m1/s1","","2018-01-30","2019-04-26","6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine","2019-05-01"],["12H","12-HYDROXYDODECANOIC ACID","C12 H24 O3","O=C(O)CCCCCCCCCCCO;OCCCCCCCCCCCC(O)=O;C(CCCCCC(=O)O)CCCCCO","InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)","","2002-07-19","2011-06-04","12-hydroxydodecanoic acid",""],["ERR","2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine","C24 H22 N4 O3","COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4;Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC","InChI=1S/C24H22N4O3/c1-27-10-8-16-11-15(5-6-19(16)27)18-14-23-25-9-7-20(28(23)26-18)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-14H,1-4H3","","2020-01-21","2021-01-15","2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine","2021-01-20"],["12I","4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE","C13 H16 N4","n2c(N1CCN(C)CC1)c3ccccc3nc2;CN1CCN(CC1)c2ncnc3ccccc23;CN1CCN(CC1)c2c3ccccc3ncn2","InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-11-4-2-3-5-12(11)14-10-15-13/h2-5,10H,6-9H2,1H3","","2011-11-14","2014-09-05","4-(4-methylpiperazin-1-yl)quinazoline","2012-10-19"],["12J","2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide","C16 H16 I N O2","CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1;CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I","InChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19)","2-Iodo-N-(3-isopropoxyphenyl)benzamide","2010-02-19","2020-06-17","2-iodo-N-(3-propan-2-yloxyphenyl)benzamide",""],["ERS","(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol","C20 H24 N6 O4","n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)N4CCN(CC4)c5ccccc5;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(ncnc23)N4CCN(CC4)c5ccccc5;c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)C5C(C(C(O5)CO)O)O","InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1","","2018-01-30","2019-04-26","(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol (non-preferred name)","2019-05-01"],["12K","(1-methylcyclohexyl)carbamic acid","C8 H15 N O2","O=C(O)NC1(CCCCC1)C;CC1(CCCCC1)NC(O)=O;CC1(CCCCC1)NC(=O)O","InChI=1S/C8H15NO2/c1-8(9-7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)","","2012-10-01","2012-10-01","(1-methylcyclohexyl)carbamic acid",""],["ERT","METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE","C31 H37 N O11","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C(C(=O)OC)C(O)(CC5OC4OC(C(O)C(N(C)C)C4)C)CC;CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O)[CH](C)O2)N(C)C)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3[CH]1C(=O)OC;CCC1(CC(c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)C1C(=O)OC)OC5CC(C(C(O5)C)O)N(C)C)O","InChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17-,18-,24-,25+,31+/m0/s1","4-METHOXY-E-RHODOMYCIN T","2004-07-06","2021-03-01","methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate",""],["ERU","(13Z)-docos-13-enamide","C22 H43 N O","O=C(N)CCCCCCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCCCCCC(N)=O;CCCCCCCCC=CCCCCCCCCCCCC(=O)N","InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-","Erucamide; erucylamide","2009-06-09","2020-05-27","(13Z)-docos-13-enamide",""],["12L","(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid","C8 H13 N O2","O=C(O)C1NCC2C1C2(C)C;CC1(C)[CH]2CN[CH]([CH]12)C(O)=O;CC1(C2C1C(NC2)C(=O)O)C","InChI=1S/C8H13NO2/c1-8(2)4-3-9-6(5(4)8)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m0/s1","","2012-10-01","2026-02-04","(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid",""],["12M","(2-ETHYLPHENYL)METHANOL","C9 H12 O","OCc1ccccc1CC;CCc1ccccc1CO;CCc1ccccc1CO","InChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3","","2005-11-29","2011-06-04","(2-ethylphenyl)methanol",""],["ERV","6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C8 H8 N4 O","Cc1cnc2n(c1)ncc2C(N)=O;Cc1cnc2c(cnn2c1)C(=O)N","InChI=1S/C8H8N4O/c1-5-2-10-8-6(7(9)13)3-11-12(8)4-5/h2-4H,1H3,(H2,9,13)","","2023-06-15","2024-06-07","6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide","2024-06-12"],["12N","(2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid","C8 H15 N O3","O=C(O)C(O)C(N)CC1CCC1;N[CH](CC1CCC1)[CH](O)C(O)=O;C1CC(C1)CC(C(C(=O)O)O)N","InChI=1S/C8H15NO3/c9-6(7(10)8(11)12)4-5-2-1-3-5/h5-7,10H,1-4,9H2,(H,11,12)/t6-,7+/m0/s1","","2012-10-01","2012-10-01","(2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid",""],["ERW","~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide","C24 H30 Cl N5 O3","CN(C(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)C(C)(C)C;CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl","InChI=1S/C24H30ClN5O3/c1-24(2,3)29(4)20(31)14-30-13-16-6-5-15(11-18(16)22(30)32)21-19(25)12-26-23(28-21)27-17-7-9-33-10-8-17/h5-6,11-12,17H,7-10,13-14H2,1-4H3,(H,26,27,28)","","2018-04-11","2018-05-25","~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide","2018-05-30"],["12O","(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","C26 H26 N2 O5","O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O;OC(=O)[CH]1CCCC[CH]1C(=O)N2CCc3ccccc3[CH]2CN4C(=O)c5ccccc5C4=O;c1ccc2c(c1)CCN(C2CN3C(=O)c4ccccc4C3=O)C(=O)C5CCCCC5C(=O)O","InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21-,22-/m1/s1","","2013-01-03","2013-12-13","(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","2013-12-18"],["ERX","2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine","C22 H21 N3 O3","COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc(C)cc4;Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC","InChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)17-13-21-23-10-9-18(25(21)24-17)16-11-19(26-2)22(28-4)20(12-16)27-3/h5-13H,1-4H3","","2020-01-21","2021-01-15","2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine","2021-01-20"],["ERY","ERYTHROMYCIN A","C37 H67 N O13","O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)C(=O)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O","InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1","","2001-09-18","2011-06-04","(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)",""],["12P","DODECAETHYLENE GLYCOL","C24 H50 O13","O(CCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2","POLYETHYLENE GLYCOL PEG400","2004-06-15","2021-03-01","3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol",""],["ERZ","~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine","C10 H13 N5","Cn1ncc(Nc2ncc(C)cn2)c1C;Cc1cnc(nc1)Nc2cnn(c2C)C","InChI=1S/C10H13N5/c1-7-4-11-10(12-5-7)14-9-6-13-15(3)8(9)2/h4-6H,1-3H3,(H,11,12,14)","","2018-04-11","2018-05-25","~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine","2018-05-30"],["12Q","1-METHYLQUINOLIN-2(1H)-ONE","C10 H9 N O","O=C2C=Cc1c(cccc1)N2C;CN1C(=O)C=Cc2ccccc12;CN1c2ccccc2C=CC1=O","InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3","1-METHYL-2-QUINOLONE","2005-11-29","2020-06-17","1-methylquinolin-2(1H)-one",""],["ES0","2-amino-1H-benzimidazol-7-ol","C7 H7 N3 O","Nc1[nH]c2c(O)cccc2n1;c1cc2c(c(c1)O)[nH]c(n2)N","InChI=1S/C7H7N3O/c8-7-9-4-2-1-3-5(11)6(4)10-7/h1-3,11H,(H3,8,9,10)","","2009-12-04","2011-06-04","2-azanyl-3H-benzimidazol-4-ol",""],["12R","4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine","C11 H10 N6","n1c3c(c(nc1)NNc2ccccc2)cnn3;N(Nc1ncnc2[nH]ncc12)c3ccccc3;c1ccc(cc1)NNc2c3cn[nH]c3ncn2","InChI=1S/C11H10N6/c1-2-4-8(5-3-1)15-17-11-9-6-14-16-10(9)12-7-13-11/h1-7,15H,(H2,12,13,14,16,17)","","2013-01-07","2013-06-28","4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine","2013-07-03"],["ES1","quinolin-4-ol","C9 H7 N O","Oc1ccnc2ccccc12;c1ccc2c(c1)c(ccn2)O","InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)","","2009-12-02","2011-06-04","quinolin-4-ol",""],["12S","6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)","C25 H33 N5","n1c(N)cc(cc1CCc2cc(cc(c2)CCCN)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cc(CCCN)cc(CCc3cc(C)cc(N)n3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN","InChI=1S/C25H33N5/c1-17-10-22(29-24(27)12-17)7-5-20-14-19(4-3-9-26)15-21(16-20)6-8-23-11-18(2)13-25(28)30-23/h10-16H,3-9,26H2,1-2H3,(H2,27,29)(H2,28,30)","","2013-01-08","2013-04-19","6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)","2013-04-24"],["12T","2-aminobenzene-1,4-dicarboxylic acid","C8 H7 N O4","O=C(O)c1cc(N)c(C(=O)O)cc1;Nc1cc(ccc1C(O)=O)C(O)=O;c1cc(c(cc1C(=O)O)N)C(=O)O","InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)","","2010-12-14","2011-12-30","2-aminobenzene-1,4-dicarboxylic acid",""],["ES2","6-chloro-1,3-dihydro-2H-indol-2-one","C8 H6 Cl N O","Clc1ccc2CC(=O)Nc2c1;c1cc2c(cc1Cl)NC(=O)C2","InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)","","2009-12-02","2011-06-04","6-chloro-1,3-dihydroindol-2-one",""],["12U","N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C22 H33 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CNC3CCCCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)CNC3CCCCCC3)C(=N)N","InChI=1S/C22H33N5O2/c23-21(24)17-11-9-16(10-12-17)14-26-22(29)19-8-5-13-27(19)20(28)15-25-18-6-3-1-2-4-7-18/h9-12,18-19,25H,1-8,13-15H2,(H3,23,24)(H,26,29)/t19-/m0/s1","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cycloheptylamino)ethanoyl]pyrrolidine-2-carboxamide","2008-01-15","2021-03-01","N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["ES3","4-bromo-1H-imidazole","C3 H3 Br N2","Brc1c[nH]cn1;c1c(nc[nH]1)Br","InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)","","2009-12-02","2011-06-04","4-bromo-1H-imidazole",""],["12V","(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C17 H27 N3 O16 P2 S","O=P(OC1SC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)S[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(SC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16+/m1/s1","URIDINE DIPHOSPHO-5-THIO-N-ACETYLGLUCOSAMINE","2012-06-19","2021-03-01","(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2012-10-19"],["ES4","6-chloro-9H-purine","C5 H3 Cl N4","Clc1ncnc2[nH]cnc12;c1[nH]c2c(n1)c(ncn2)Cl","InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)","","2009-12-02","2011-06-04","6-chloro-9H-purine",""],["12W","cyclopentyl hydrogen carbonate","C6 H10 O3","O=C(O)OC1CCCC1;OC(=O)OC1CCCC1;C1CCC(C1)OC(=O)O","InChI=1S/C6H10O3/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)","","2012-10-01","2012-10-01","cyclopentyl hydrogen carbonate",""],["ES5","quinolin-6-amine","C9 H8 N2","Nc1ccc2ncccc2c1;c1cc2cc(ccc2nc1)N","InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2","","2009-12-04","2011-06-04","quinolin-6-amine",""],["12X","(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline","C22 H23 Br N4 O5 S","O=C(Nc4nc(c2nc3c(c(OC1CC(C(=O)O)NC1)c2)ccc(OC)c3Br)cs4)C(C)C;COc1ccc2c(O[CH]3CN[CH](C3)C(O)=O)cc(nc2c1Br)c4csc(NC(=O)C(C)C)n4;CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)OC4CC(NC4)C(=O)O","InChI=1S/C22H23BrN4O5S/c1-10(2)20(28)27-22-26-15(9-33-22)13-7-17(32-11-6-14(21(29)30)24-8-11)12-4-5-16(31-3)18(23)19(12)25-13/h4-5,7,9-11,14,24H,6,8H2,1-3H3,(H,29,30)(H,26,27,28)/t11-,14+/m1/s1","","2012-10-01","2012-10-01","(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline",""],["ES6","2-oxo-1,2-dihydropyridine-3-carboxylic acid","C6 H5 N O3","OC(=O)C1=CC=CNC1=O;C1=CNC(=O)C(=C1)C(=O)O","InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)","","2009-12-04","2011-06-04","2-oxo-1H-pyridine-3-carboxylic acid",""],["ES7","1-methyl-1H-benzimidazol-2-amine","C8 H9 N3","Cn1c(N)nc2ccccc12;Cn1c2ccccc2nc1N","InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)","","2009-12-04","2011-06-04","1-methylbenzimidazol-2-amine",""],["12Y","(4R)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline","C22 H24 N4 O5 S","O=C(Nc4nc(c2nc3c(c(OC1CC(C(=O)O)NC1)c2)ccc(OC)c3)cs4)C(C)C;COc1ccc2c(O[CH]3CN[CH](C3)C(O)=O)cc(nc2c1)c4csc(NC(=O)C(C)C)n4;CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)OC4CC(NC4)C(=O)O","InChI=1S/C22H24N4O5S/c1-11(2)20(27)26-22-25-18(10-32-22)16-8-19(31-13-7-17(21(28)29)23-9-13)14-5-4-12(30-3)6-15(14)24-16/h4-6,8,10-11,13,17,23H,7,9H2,1-3H3,(H,28,29)(H,25,26,27)/t13-,17+/m1/s1","","2012-10-01","2012-10-01","(4R)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline",""],["12Z","[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","C15 H18 N4 O S","O=C(c1sc(nc1N)NC2CCCCC2)c3cccnc3;Nc1nc(NC2CCCCC2)sc1C(=O)c3cccnc3;c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N","InChI=1S/C15H18N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,16H2,(H,18,19)","","2011-04-18","2012-10-26","[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","2012-10-26"],["ES8","[(9H-fluoren-9-ylideneamino)oxy]acetic acid","C15 H11 N O3","O=C(O)CON=C3/c1ccccc1c2c3cccc2;OC(=O)CON=C1c2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O","InChI=1S/C15H11NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,17,18)","","2014-06-12","2015-06-19","[(9H-fluoren-9-ylideneamino)oxy]acetic acid","2015-06-24"],["130","2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C20 H16 N4 O","Oc4c(c1ccccc1)cccc4c3nc2cc(ccc2n3)C(=[N@H])N;NC(=N)c1ccc2[nH]c(nc2c1)c3cccc(c3O)c4ccccc4;[H]N=C(c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)N","InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)","","2001-05-03","2011-06-04","2-(2-hydroxybiphenyl-3-yl)-1H-benzimidazole-5-carboximidamide",""],["ES9","5-chloro-1H-benzimidazole","C7 H5 Cl N2","Clc1ccc2[nH]cnc2c1;c1cc2c(cc1Cl)nc[nH]2","InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)","","2009-12-04","2011-06-04","5-chloro-1H-benzimidazole",""],["ESA","ETHANESULFONIC ACID","C2 H6 O3 S","O=S(=O)(O)CC;CC[S](O)(=O)=O;CCS(=O)(=O)O","InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)","","2000-07-18","2011-06-04","ethanesulfonic acid",""],["132","6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE","C21 H17 Cl N3 O","Clc1c(cc2c(c1)nc(c2)c4cccc(c3ccccc3)c4O)C(=[NH2+])N;NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)c3cccc(c3O)c4ccccc4;c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N","InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1","","2001-05-04","2011-06-04","amino[6-chloro-2-(2-hydroxybiphenyl-3-yl)-1H-indol-5-yl]methaniminium",""],["133","6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C18 H19 F N4 O2","Fc3cc1c(nc(n1)c2cccc(OCC(C)C)c2O)cc3C(=[N@H])N;CC(C)COc1cccc(c1O)c2[nH]c3cc(F)c(cc3n2)C(N)=N;[H]N=C(c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)N","InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)","","2001-05-09","2011-06-04","6-fluoro-2-[2-hydroxy-3-(2-methylpropoxy)phenyl]-1H-benzimidazole-5-carboximidamide",""],["ESB","3-[(3E)-3-(ETHYLIMINO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE","C11 H14 N2 O4","O=C1C=C(O)/C(=N/CC)C=C1CC(C(=O)O)N;CCN=C1C=C(C[CH](N)C(O)=O)C(=O)C=C1O;CCN=C1C=C(C(=O)C=C1O)CC(C(=O)O)N","InChI=1S/C11H14N2O4/c1-2-13-8-4-6(3-7(12)11(16)17)9(14)5-10(8)15/h4-5,7,15H,2-3,12H2,1H3,(H,16,17)/b13-8+/t7-/m0/s1","","2008-04-03","2024-09-27","3-[(3E)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine",""],["134","6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE","C22 H24 F N3 O2","Fc1c(cc2c(c1)nc(c2)c4cccc(OC3CCCCC3C)c4O)C(=[N@H])N;C[CH]1CCCC[CH]1Oc2cccc(c2O)c3[nH]c4cc(F)c(cc4c3)C(N)=N;[H]N=C(c1cc2cc([nH]c2cc1F)c3cccc(c3O)OC4CCCCC4C)N","InChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1","","2001-05-09","2011-06-04","6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-indole-5-carboximidamide",""],["ESC","2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID","C6 H13 N O2 S","O=C(O)C(N)CCSCC;CCSCC[CH](N)C(O)=O;CCSCCC(C(=O)O)N","InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1","","1999-09-27","2024-09-27","S-ethyl-L-homocysteine",""],["135","N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE","C14 H13 N3 O2","O=C(c1ccccc1O)Nc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(NC(=O)c2ccccc2O)cc1;[H]N=C(c1ccc(cc1)NC(=O)c2ccccc2O)N","InChI=1S/C14H13N3O2/c15-13(16)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)18/h1-8,18H,(H3,15,16)(H,17,19)","","2001-05-09","2011-06-04","N-(4-carbamimidoylphenyl)-2-hydroxybenzamide",""],["ESD","(2-AMINO-ETHYLSULFANYL)-ACETIC ACID","C4 H9 N O2 S","O=C(O)CSCCN;NCCSCC(O)=O;C(CSCC(=O)O)N","InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)","","2001-10-18","2024-09-27","[(2-aminoethyl)sulfanyl]acetic acid",""],["ESE","(1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol","C16 H22 O2","Oc1ccc(cc1)C3CCC2(C(CCC2O)C3)C;C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)cc3;CC12CCC(CC1CCC2O)c3ccc(cc3)O","InChI=1S/C16H22O2/c1-16-9-8-12(10-13(16)4-7-15(16)18)11-2-5-14(17)6-3-11/h2-3,5-6,12-13,15,17-18H,4,7-10H2,1H3/t12-,13-,15+,16+/m1/s1","","2014-02-28","2014-05-02","(1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol","2014-05-07"],["136","N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE","C15 H13 Cl I N3 O2","Clc1cc(ccc1C(=[N@H])N)NC(=O)c2cc(cc(I)c2O)C;Cc1cc(I)c(O)c(c1)C(=O)Nc2ccc(C(N)=N)c(Cl)c2;[H]N=C(c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)N","InChI=1S/C15H13ClIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)","","2001-05-10","2011-06-04","N-(4-carbamimidoyl-3-chlorophenyl)-2-hydroxy-3-iodo-5-methylbenzamide",""],["ESF","(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide","C19 H27 N3 O4","CC(C)[CH](O)C(=O)N[CH](C)C(=O)N[CH]1C(=O)N(C)CCc2ccccc12;CC(C)C(C(=O)NC(C)C(=O)NC1c2ccccc2CCN(C1=O)C)O","InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1","","2020-01-21","2021-01-22","(2~{S})-3-methyl-~{N}-[(2~{S})-1-[(3-methyl-4-oxidanylidene-2,5-dihydro-1~{H}-3-benzazepin-5-yl)amino]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-butanamide","2021-01-27"],["137","1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE","C12 H18 N O9 P","O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O;O[CH](CNc1ccccc1C(O)=O)[CH](O)[CH](O)CO[P](O)(O)=O;c1ccc(c(c1)C(=O)O)NCC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10-,11+/m1/s1","","2001-06-14","2011-06-04","1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-arabinitol",""],["ESG","L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine","C16 H24 N4 O8 S","CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O;CCN1C(=O)CC(C1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1","","2010-01-18","2011-06-04","2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid",""],["138","N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE","C30 H37 N6 O15 P","O=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNCC(O)(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)Cc4cc3c(O)nc(nc3cc4)N;Nc1nc(O)c2cc(C[C](O)(CNCC(=O)N[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)ccc2n1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)C(Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)NC4C(C(C(O4)COP(=O)(O)O)O)O)O","InChI=1S/C30H37N6O15P/c31-29-34-18-6-1-14(9-17(18)26(43)36-29)10-30(46,16-4-2-15(3-5-16)25(42)33-19(28(44)45)7-8-22(38)39)13-32-11-21(37)35-27-24(41)23(40)20(51-27)12-50-52(47,48)49/h1-6,9,19-20,23-24,27,32,40-41,46H,7-8,10-13H2,(H,33,42)(H,35,37)(H,38,39)(H,44,45)(H2,47,48,49)(H3,31,34,36,43)/t19-,20+,23+,24+,27+,30+/m0/s1","","2001-07-23","2011-06-04","(2S)-2-[({4-[(1S)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-({[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}amino)-2-oxoethyl]amino}methyl)-1-hydroxyethyl]phenyl}carbonyl)amino]pentanedioic acid (non-preferred name)",""],["139","ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE","C19 H25 N7 O14 P2","O=C1C=CN(C(=O)N1)C5OC(CO)C(OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O)C5;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4C[CH](O[CH]4CO)N5C=CC(=O)NC5=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4CC(OC4CO)N5C=CC(=O)NC5=O)O)O)N","InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-15(30)14(29)10(38-18)5-36-41(32,33)40-42(34,35)39-8-3-12(37-9(8)4-27)25-2-1-11(28)24-19(25)31/h1-2,6-10,12,14-15,18,27,29-30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,28,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1","","2001-07-30","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name)",""],["ESH","4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE","C26 H31 Cl N4 O","Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4;CC(C)[CH]1[CH]2[CH]3CCCN3[CH]([CH]2C(=O)N1Cc4ccc(Cl)cc4)c5ccc(cc5)C(N)=N;[H]N=C(c1ccc(cc1)C2C3C(C4N2CCC4)C(N(C3=O)Cc5ccc(cc5)Cl)C(C)C)N","InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1","","2006-02-17","2011-06-04","4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["ESI","4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE","C9 H8 I N2 S","Ic1cccc2sc(cc12)C(=[NH2+])N;NC(=[NH2+])c1sc2cccc(I)c2c1;c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I","InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1","","2000-01-14","2011-06-04","amino(4-iodo-1-benzothiophen-2-yl)methaniminium",""],["13A","7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE","C9 H12 N4 O7 S","O=C3NS(=O)(=O)Nc1c3ncn1C2OC(CO)C(O)C2O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N[S](=O)(=O)Nc23;c1nc2c(n1C3C(C(C(O3)CO)O)O)NS(=O)(=O)NC2=O","InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1","","2005-10-10","2011-06-04","7-beta-D-ribofuranosyl-1,7-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide",""],["13C","(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE","C17 H20 Cl N O4","Oc1cc(O)c2C(=O)NCCC=CCCCCC(=O)Cc2c1Cl;c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O","InChI=1S/C17H20ClNO4/c18-16-12-9-11(20)7-5-3-1-2-4-6-8-19-17(23)15(12)13(21)10-14(16)22/h2,4,10,21-22H,1,3,5-9H2,(H,19,23)/b4-2+","","2010-11-08","2011-11-11","15-chloro-16,18-dihydroxy-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione",""],["ESJ","(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C11 H8 N2 O3 S2","O=C(O)C1N=C(SC1)c2sc3cc(O)ccc3n2;OC(=O)[CH]1CSC(=N1)c2sc3cc(O)ccc3n2;c1cc2c(cc1O)sc(n2)C3=NC(CS3)C(=O)O","InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1","D-LUCIFERIN","2014-05-05","2020-06-17","(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2015-03-18"],["13D","1,3-DIAMINOPROPANE","C3 H10 N2","NCCCN;NCCCN;C(CN)CN","InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2","","2005-04-04","2011-06-04","propane-1,3-diamine",""],["ESK","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide","C27 H28 Cl N5 O4","OC[CH](NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)c5ccccc5;c1ccc(cc1)C(CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C27H28ClN5O4/c28-22-13-29-27(30-20-8-10-37-11-9-20)32-25(22)18-6-7-19-14-33(26(36)21(19)12-18)15-24(35)31-23(16-34)17-4-2-1-3-5-17/h1-7,12-13,20,23,34H,8-11,14-16H2,(H,31,35)(H,29,30,32)/t23-/m1/s1","","2018-04-11","2018-05-25","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide","2018-05-30"],["13E","N-[(2S)-2-amino-3-phenylpropyl]-L-methionine","C14 H22 N2 O2 S","O=C(O)C(NCC(N)Cc1ccccc1)CCSC;CSCC[CH](NC[CH](N)Cc1ccccc1)C(O)=O;CSCCC(C(=O)O)NCC(Cc1ccccc1)N","InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13-/m0/s1","","2012-10-02","2024-09-27","N-[(2S)-2-amino-3-phenylpropyl]-L-methionine","2012-12-07"],["ESL","ESTRIOL","C18 H24 O3","Oc1cc4c(cc1)C3CCC2(C(CC(O)C2O)C3CC4)C;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](O)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)O","InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1","1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL","2004-08-30","2020-06-17","(9beta,13alpha,16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol",""],["ESM","1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER","C19 H26 O3","Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C;COc1cc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCc2cc1O;CC12CCC3c4cc(c(cc4CCC3C1CCC2O)O)OC","InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1","2-METHOXYESTRADIOL","2002-04-25","2020-06-17","(14beta,17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol",""],["13F","3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide","C15 H15 N3 O3 S","O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)Nc3ccccc3;CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)Nc3ccccc3;CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3","InChI=1S/C15H15N3O3S/c1-18-10-11-9-13(7-8-14(11)16-15(18)19)22(20,21)17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,19)","","2012-10-02","2012-10-26","3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide","2012-10-26"],["ESN","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide","C29 H32 Cl N5 O4","C[CH](N1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)C(=O)N[CH](CO)c5cccc(C)c5;Cc1cccc(c1)C(CO)NC(=O)C(C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1","","2018-04-11","2018-05-25","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide","2018-05-30"],["13H","(9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOIC ACID","C18 H32 O3","O=C(O)CCCCCCC/C=CC=CC(O)CCCCC;CCCCC[CH](O)C=CC=CCCCCCCCC(O)=O;CCCCCC(C=CC=CCCCCCCCC(=O)O)O","InChI=1/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/f/h20H","","2008-04-29","2008-10-14","(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid",""],["13I","(E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE","C20 H26 Cl N O6","CCO[CH](O)[CH]1CCCC=CCCNC(=O)c2c(O)cc(O)c(Cl)c2CC1=O;CCOC(C1CCCC=CCCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O","InChI=1S/C20H26ClNO6/c1-2-28-20(27)12-8-6-4-3-5-7-9-22-19(26)17-13(10-14(12)23)18(21)16(25)11-15(17)24/h3,5,11-12,20,24-25,27H,2,4,6-10H2,1H3,(H,22,26)/b5-3+/t12-,20+/m0/s1","","2010-11-08","2011-11-11","(4R,8E)-18-chloro-4-[(R)-ethoxy-hydroxy-methyl]-15,17-dihydroxy-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-3,13-dione",""],["ESO","O3-PHOSPHONOESTRONE","C18 H23 O5 P","O=P(O)(O)Oc1cc4c(cc1)C3CCC2(C(=O)CCC2C3CC4)C;C[C]12CC[CH]3[CH](CCc4cc(O[P](O)(O)=O)ccc34)[CH]1CCC2=O;CC12CCC3c4ccc(cc4CCC3C1CCC2=O)OP(=O)(O)O","InChI=1S/C18H23O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,18+/m1/s1","","1999-07-08","2011-06-04","17-oxoestra-1,3,5(10)-trien-3-yl dihydrogen phosphate",""],["13J","3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide","C29 H33 N7 O2","O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5;CCC(=O)N1CCC[CH](C1)n2nc(c3cccc(c3)C(=O)Nc4ccc(cc4)C(C)C)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N","InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m0/s1","","2012-10-03","2024-09-27","3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide","2012-11-09"],["ESP","THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE","C8 H8 N3 S","n1cccc2c1sc(c2)C(=[NH2+])N;NC(=[NH2+])c1sc2ncccc2c1;c1cc2cc(sc2nc1)C(=[NH2+])N","InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1","","2000-01-14","2011-06-04","amino(thieno[2,3-b]pyridin-2-yl)methaniminium",""],["ESQ","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one","C23 H28 Cl N5 O3","Clc1cnc(NC2CCOCC2)nc1c3ccc4CN(CCN5CCOCC5)C(=O)c4c3;c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5","InChI=1S/C23H28ClN5O3/c24-20-14-25-23(26-18-3-9-31-10-4-18)27-21(20)16-1-2-17-15-29(22(30)19(17)13-16)6-5-28-7-11-32-12-8-28/h1-2,13-14,18H,3-12,15H2,(H,25,26,27)","","2018-04-11","2018-05-25","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one","2018-05-30"],["13K","N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine","C20 H23 N7 O3","n2c(Nc1ccc(OC)c(OC)c1)cc(nc2N3CCOCC3)c4cnc(nc4)N;COc1ccc(Nc2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4)cc1OC;COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N","InChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26)","","2011-09-06","2012-08-24","N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine","2012-08-24"],["13L","3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide","C29 H33 N7 O2","O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5;CCC(=O)N1CCC[CH](C1)n2nc(c3cccc(c3)C(=O)Nc4ccc(cc4)C(C)C)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N","InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m1/s1","","2012-10-03","2024-09-27","3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide","2012-11-09"],["ESR","5-ALPHA-ESTRAN-3,17-DIONE","C18 H26 O2","O=C4CC3CCC2C1CCC(=O)C1(C)CCC2C3CC4;C[C]12CC[CH]3[CH]4CCC(=O)C[CH]4CC[CH]3[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CCC4C3CCC(=O)C4","InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1","(13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE","2003-05-29","2020-06-17","(5beta,9beta,10alpha,13alpha,14beta)-estrane-3,17-dione",""],["ESS","(1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H36 N4 O10 S2","O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)[S](C)(=O)=O)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C","InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19+/m0/s1","","2021-12-10","2024-09-27","(1R,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["13M","(2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid","C30 H27 N O4","O=C(O)C(CC)Cc1ccc(OC)c(c1)CNC(=O)c5c2c4c3c(cc2)cccc3ccc4cc5;CC[CH](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(O)=O;CCC(Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O","InChI=1S/C30H27NO4/c1-3-19(30(33)34)15-18-7-14-26(35-2)23(16-18)17-31-29(32)25-13-11-22-9-8-20-5-4-6-21-10-12-24(25)28(22)27(20)21/h4-14,16,19H,3,15,17H2,1-2H3,(H,31,32)(H,33,34)/t19-/m0/s1","","2011-10-03","2012-08-24","(2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid","2012-08-24"],["13N","(5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE","C25 H27 Cl N2 O5","Oc1cc(O)c2C(=O)NCCC=CCCC[CH](C(=O)Cc2c1Cl)C(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)C2CCCC=CCCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O","InChI=1S/C25H27ClN2O5/c26-23-18-13-19(29)17(24(32)28-15-16-9-5-4-6-10-16)11-7-2-1-3-8-12-27-25(33)22(18)20(30)14-21(23)31/h1,3-6,9-10,14,17,30-31H,2,7-8,11-13,15H2,(H,27,33)(H,28,32)/b3-1+/t17-/m1/s1","","2010-11-08","2011-11-11","(6E,11R)-15-chloro-16,18-dihydroxy-2,12-dioxo-N-(phenylmethyl)-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-11-carboxamide",""],["EST","ESTRADIOL","C18 H24 O2","Oc1cc4c(cc1)C3CCC2(C(CCC2O)C3CC4)C;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CCC2O)O","InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1","","1999-07-08","2011-06-04","(9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol",""],["ESV","1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine","C12 H17 N5","CCC(C)(C)N=C(NC#N)Nc1cccnc1;CCC(C)(C)N=C(NC#N)Nc1cccnc1","InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)","P1075","2022-04-22","2022-05-13","1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine","2022-05-18"],["13P","1,3-DIHYDROXYACETONEPHOSPHATE","C3 H7 O6 P","O=P(O)(O)OCC(=O)CO;OCC(=O)CO[P](O)(O)=O;C(C(=O)COP(=O)(O)O)O","InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)","","1999-07-08","2024-09-27","3-hydroxy-2-oxopropyl dihydrogen phosphate",""],["13Q","[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid","C23 H23 Cl2 N O3","O=C(O)CC4C(=O)N(CC1CC1)C(c2ccc(Cl)cc2)C(c3cccc(Cl)c3)C4;OC(=O)C[CH]1C[CH]([CH](N(CC2CC2)C1=O)c3ccc(Cl)cc3)c4cccc(Cl)c4;c1cc(cc(c1)Cl)C2CC(C(=O)N(C2c3ccc(cc3)Cl)CC4CC4)CC(=O)O","InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1","","2012-10-03","2012-11-02","[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid","2012-11-02"],["ESW","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide","C28 H30 Cl N5 O3","CC(C)(NC(=O)CN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)c5ccccc5;CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C28H30ClN5O3/c1-28(2,20-6-4-3-5-7-20)33-24(35)17-34-16-19-9-8-18(14-22(19)26(34)36)25-23(29)15-30-27(32-25)31-21-10-12-37-13-11-21/h3-9,14-15,21H,10-13,16-17H2,1-2H3,(H,33,35)(H,30,31,32)","","2018-04-11","2018-05-25","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide","2018-05-30"],["ESX","BENZO[B]THIOPHENE-2-CARBOXAMIDINE","C9 H9 N2 S","s2c1ccccc1cc2C(=[NH2+])N;NC(=[NH2+])c1sc2ccccc2c1;c1ccc2c(c1)cc(s2)C(=[NH2+])N","InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1","","2000-01-14","2011-06-04","amino(1-benzothiophen-2-yl)methaniminium",""],["13R","13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID","C18 H32 O4","O=C(O)CCCCCCC/C=CC=CC(OO)CCCCC;CCCCC[CH](OO)C=CC=CCCCCCCCC(O)=O;CCCCCC(C=CC=CCCCCCCCC(=O)O)OO","InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m1/s1","","2001-05-07","2011-06-04","(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoic acid",""],["13S","13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID","C18 H32 O4","O=C(O)CCCCCCC/C=CC=CC(OO)CCCCC;CCCCC[CH](OO)C=CC=CCCCCCCCC(O)=O;CCCCCC(C=CC=CCCCCCCCC(=O)O)OO","InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1","","2001-05-07","2011-06-04","(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid",""],["ESY","benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate","C32 H43 N3 O8","O=CC(C(C)CC)C(O)C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc2ccccc2)C;CC[CH](C)[CH](C=O)[CH](O)C(=O)NCCCC[CH](NC(=O)[CH](C)NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2;CCC(C)C(C=O)C(C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(C)NC(=O)OCc2ccccc2)O","InChI=1S/C32H43N3O8/c1-4-22(2)26(19-36)28(37)30(39)33-18-12-11-17-27(31(40)42-20-24-13-7-5-8-14-24)35-29(38)23(3)34-32(41)43-21-25-15-9-6-10-16-25/h5-10,13-16,19,22-23,26-28,37H,4,11-12,17-18,20-21H2,1-3H3,(H,33,39)(H,34,41)(H,35,38)/t22-,23-,26-,27-,28+/m0/s1","","2006-02-06","2024-09-27","benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate",""],["ESZ","(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol","C18 H23 Br O2","BrC4CC3C2C(c1ccc(O)cc1CC2)CCC3(C)C4O;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](Br)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Br)O","InChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1","","2014-05-20","2014-10-03","(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol","2014-10-08"],["13T","13-DEOXYTEDANOLIDE","C32 H50 O10","O=C1C(C)CCC(=O)C(C=C(C)C(O)C(C(=O)C(C)C(OC)C(O)C(=O)OCC1C(O)C2(OC2C(/C=CC)C)C)C)C;CO[CH]1[CH](C)C(=O)[CH](C)[CH](O)C(=C[CH](C)C(=O)CC[CH](C)C(=O)[CH](COC(=O)[CH]1O)[CH](O)[C]2(C)O[CH]2[CH](C)C=CC)C;CC=CC(C)C1C(O1)(C)C(C2COC(=O)C(C(C(C(=O)C(C(C(=CC(C(=O)CCC(C2=O)C)C)C)O)C)C)OC)O)O","InChI=1S/C32H50O10/c1-10-11-17(3)30-32(8,42-30)29(38)22-15-41-31(39)27(37)28(40-9)21(7)26(36)20(6)24(34)19(5)14-18(4)23(33)13-12-16(2)25(22)35/h10-11,14,16-18,20-22,24,27-30,34,37-38H,12-13,15H2,1-9H3/b11-10-,19-14+/t16-,17+,18+,20-,21-,22+,24+,27-,28+,29+,30-,32-/m1/s1","","2007-03-01","2011-06-04","(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-dihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(1S,2Z)-1-methylbut-2-en-1-yl]oxiran-2-yl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-preferred name)",""],["13U","N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C23 H35 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CNC3CCCCCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)CNC3CCCCCCC3)C(=N)N","InChI=1S/C23H35N5O2/c24-22(25)18-12-10-17(11-13-18)15-27-23(30)20-9-6-14-28(20)21(29)16-26-19-7-4-2-1-3-5-8-19/h10-13,19-20,26H,1-9,14-16H2,(H3,24,25)(H,27,30)/t20-/m0/s1","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclooctylamino)ethanoyl]pyrrolidine-2-carboxamide","2008-02-06","2021-03-01","N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["ET","ETHIDIUM","C21 H20 N3","c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N;CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4;CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N","InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1","","1999-07-08","2011-06-04","3,8-diamino-5-ethyl-6-phenylphenanthridinium",""],["ET0","3-(5-methoxy-1H-indol-3-yl)propanoic acid","C12 H13 N O3","O=C(O)CCc2c1cc(OC)ccc1nc2;COc1ccc2[nH]cc(CCC(O)=O)c2c1;COc1ccc2c(c1)c(c[nH]2)CCC(=O)O","InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)","","2008-10-08","2011-06-04","3-(5-methoxy-1H-indol-3-yl)propanoic acid",""],["13V","4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol","C20 H22 N4 O3","O(C)CCOc3cnc(nc3c2c1cc(C#CC(O)(C)C)ccc1nc2)N;COCCOc1cnc(N)nc1c2c[nH]c3ccc(cc23)C#CC(C)(C)O;CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O","InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)","","2013-01-11","2013-04-12","4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol","2013-04-17"],["ET1","3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid","C19 H19 N O6 S","O=S(=O)(c1ccc(OC)cc1)n3c2ccc(OC)cc2c(c3)CCC(=O)O;COc1ccc(cc1)[S](=O)(=O)n2cc(CCC(O)=O)c3cc(OC)ccc23;COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O","InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)","","2008-10-08","2011-06-04","3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid",""],["13W","3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile","C17 H16 N4 O S","O=C3N(C(=[N@H])NC(c2scc(c1cc(C#N)ccc1)c2)(C)C3)C;CN1C(=N)N[C](C)(CC1=O)c2scc(c2)c3cccc(c3)C#N;CC1(CC(=O)N(C(=N)N1)C)c2cc(cs2)c3cccc(c3)C#N","InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1","","2012-10-04","2012-10-12","3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile","2012-10-12"],["ET2","6-fluoro-1H-benzimidazol-2-amine","C7 H6 F N3","Nc1[nH]c2cc(F)ccc2n1;c1cc2c(cc1F)[nH]c(n2)N","InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)","","2009-12-04","2011-06-04","6-fluoro-1H-benzimidazol-2-amine",""],["13X","benzene-1,3,5-triol","C6 H6 O3","Oc1cc(O)cc(O)c1;Oc1cc(O)cc(O)c1;c1c(cc(cc1O)O)O","InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H","Phloroglucinol","2012-10-05","2020-06-17","benzene-1,3,5-triol","2012-10-19"],["ET3","2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide","C30 H42 N2 O9","CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC;CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O","InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3","","2020-01-23","2021-01-22","2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide","2021-01-27"],["13Y","2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","C28 H32 Cl N3 O5","O=C(O)c2ccc(cc2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC(C)C;CC(C)C[CH](N1CCC[CH](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(O)=O)c(Oc4cccc(Cl)c4)c3;CC1=CN(C(=O)NC1=O)C2CCCN(C2)C(CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O","InChI=1S/C28H32ClN3O5/c1-17(2)12-24(31-11-5-7-21(16-31)32-15-18(3)26(33)30-28(32)36)19-9-10-23(27(34)35)25(13-19)37-22-8-4-6-20(29)14-22/h4,6,8-10,13-15,17,21,24H,5,7,11-12,16H2,1-3H3,(H,34,35)(H,30,33,36)/t21-,24+/m0/s1","","2012-10-04","2012-10-19","2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid","2012-10-19"],["13Z","2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol","C17 H29 F N4 O4","FC1CC(N(C(=O)CNC(C)(C)CO)C1)C(O)c2nnc(o2)C(C)(C)C;CC(C)(C)c1oc(nn1)[CH](O)[CH]2C[CH](F)CN2C(=O)CNC(C)(C)CO;CC(C)(C)c1nnc(o1)C(C2CC(CN2C(=O)CNC(C)(C)CO)F)O","InChI=1S/C17H29FN4O4/c1-16(2,3)15-21-20-14(26-15)13(25)11-6-10(18)8-22(11)12(24)7-19-17(4,5)9-23/h10-11,13,19,23,25H,6-9H2,1-5H3/t10-,11-,13+/m0/s1","","2008-02-12","2024-09-27","2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol",""],["ET4","(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol","C40 H54 O2","CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1","Diatoxanthin","2023-06-15","2023-10-20","(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol","2023-10-25"],["ET5","(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid","C10 H14 N4 O7 S","NC[CH]1C=C([CH](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2;c1c(ocn1)C2=CC(N(CC2NOS(=O)(=O)O)C(=O)O)CN","InChI=1S/C10H14N4O7S/c11-2-6-1-7(9-3-12-5-20-9)8(4-14(6)10(15)16)13-21-22(17,18)19/h1,3,5-6,8,13H,2,4,11H2,(H,15,16)(H,17,18,19)/t6-,8-/m0/s1","","2018-04-11","2024-09-27","(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid","2019-05-22"],["140","N-PALMITOYLGLYCINE","C18 H35 N O3","O=C(NCC(=O)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NCC(O)=O;CCCCCCCCCCCCCCCC(=O)NCC(=O)O","InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)","N-HEXADECANOYLGLYCINE","2001-08-09","2021-03-01","N-hexadecanoylglycine",""],["ET6","(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H36 N4 O10 S2","O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1;CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)[S](C)(=O)=O)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C","InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19-/m0/s1","","2021-12-10","2024-09-27","(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["141","Oxypurinol","C5 H4 N4 O2","O=C1N=C2C(C(=O)N1)=CNN2;O=C1NC(=O)C2=CNNC2=N1;C1=C2C(=NC(=O)NC2=O)NN1","InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)","Alloxanthine","2001-08-21","2020-06-17","1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione",""],["142","CARBIDOPA","C10 H14 N2 O4","O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C;C[C](Cc1ccc(O)c(O)c1)(NN)C(O)=O;CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN","InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1","KINSON; 3-(3,4-DIHYDROXY-PHENYL)-2-HYDRAZINO-2-METHYL-PROPIONIC ACID","2001-08-23","2020-05-26","(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid",""],["ET7","~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide","C23 H19 F N2 O2 S","CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13;CCN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)Cc4ccc(cc4)F","InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27)","","2022-01-12","2022-11-18","~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide","2022-11-23"],["ET8","3-phenyl-5-(pyridin-4-yl)-1H-indazole","C18 H13 N3","c4cc(c2cc1c(nnc1cc2)c3ccccc3)ccn4;[nH]1nc(c2ccccc2)c3cc(ccc13)c4ccncc4;c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4","InChI=1S/C18H13N3/c1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h1-12H,(H,20,21)","","2018-02-27","2018-05-04","3-phenyl-5-(pyridin-4-yl)-1H-indazole","2018-05-09"],["143","S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE","C8 H13 N3 O5 S","O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N;N[CH](CS[CH]1NOC(=C1)[CH](N)C(O)=O)C(O)=O;C1=C(ONC1SCC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1","2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID","2001-09-05","2024-09-27","S-{(3R)-5-[(S)-amino(carboxy)methyl]-2,3-dihydroisoxazol-3-yl}-L-cysteine",""],["144","TRIS-HYDROXYMETHYL-METHYL-AMMONIUM","C4 H12 N O3","OC[N+](C)(CO)CO;C[N+](CO)(CO)CO;C[N+](CO)(CO)CO","InChI=1S/C4H12NO3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3/q+1","","2001-09-06","2011-06-04","hydroxy-N,N-bis(hydroxymethyl)-N-methylmethanaminium",""],["ET9","[[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory\nl] phosphono hydrogen phosphate","C12 H18 N5 O12 P3","NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C3=C)c2N1;C=C1C(CC(C1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N","InChI=1S/C12H18N5O12P3/c1-5-6(3-27-31(23,24)29-32(25,26)28-30(20,21)22)8(18)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)19/h4,6-8,18H,1-3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8-/m0/s1","Entecavir 5'-triphosphate","2017-05-30","2020-06-17","[[(1~{R},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2018-02-07"],["ETA","ETHANOLAMINE","C2 H7 N O","OCCN;NCCO;C(CO)N","InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2","","1999-07-08","2024-09-27","2-aminoethanol",""],["145","2-nitrophenyl beta-D-galactopyranoside","C12 H15 N O8","[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)CO)cccc2;OC[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1","1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE; 2-nitrophenyl beta-D-galactoside; 2-nitrophenyl D-galactoside;\n2-nitrophenyl galactoside","2001-09-26","2020-07-17","2-nitrophenyl beta-D-galactopyranoside",""],["ETB","Ethyl Coenzyme A","C20 H34 N7 O16 P3","O=C(NC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NC)O","InChI=1S/C20H34N7O16P3/c1-20(2,15(30)18(31)23-5-4-11(28)22-3)7-40-46(37,38)43-45(35,36)39-6-10-14(42-44(32,33)34)13(29)19(41-10)27-9-26-12-16(21)24-8-25-17(12)27/h8-10,13-15,19,29-30H,4-7H2,1-3H3,(H,22,28)(H,23,31)(H,35,36)(H,37,38)(H2,21,24,25)(H2,32,33,34)/t10-,13-,14-,15+,19-/m1/s1","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-(methylamino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate","2007-11-27","2021-03-13","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-(methylamino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["146","[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]","C49 H44 N8 O5","O=C(Nc1nc2ccccc2n1)c3cc(ccc3)CN5C(=O)N(C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Cc7cccc(c7)C(=O)Nc9nc8ccccc8n9;O[CH]1[CH](O)[CH](Cc2ccccc2)N(Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)C(=O)N(Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)[CH]1Cc9ccccc9;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O","InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61)/t41-,42-,43+,44+/m1/s1","SD146","1999-07-08","2021-03-01","3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1H-benzimidazol-2-ylbenzamide)",""],["ETC","(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL","C22 H24 O2","Oc4cc3c(C2=C(c1ccc(O)cc1CC2CC)C(CC)C3)cc4;CC[CH]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[CH]3CC;CCC1Cc2cc(ccc2C3=C1c4ccc(cc4CC3CC)O)O","InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1","","2002-02-26","2011-06-04","(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol",""],["147","4-nitrophenyl beta-D-galactopyranoside","C12 H15 N O8","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2;OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1","1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE; 4-nitrophenyl beta-D-galactoside; 4-nitrophenyl D-galactoside;\n4-nitrophenyl galactoside","2001-09-27","2020-07-17","4-nitrophenyl beta-D-galactopyranoside",""],["148","2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL","C8 H19 N O5","OCCN(C(CO)(CO)CO)CCO;OCCN(CCO)C(CO)(CO)CO;C(CO)N(CCO)C(CO)(CO)CO","InChI=1/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2","","2001-10-02","2008-10-14","2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol",""],["ETD","ETHENYLENE GROUP","C2 H2","C#C;C#C;C#C","InChI=1/C2H2/c1-2/h1-2H","","1999-07-08","2008-10-14","ethyne",""],["ETE","2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL","C9 H20 O5","O(C)CCOCCOCCOCCO;COCCOCCOCCOCCO;COCCOCCOCCOCCO","InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3","","2002-10-09","2011-06-04","2,5,8,11-tetraoxatridecan-13-ol",""],["149","D-galactonolactone","C6 H10 O6","O=C1OC(CO)C(O)C(O)C1O;OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(=O)O1)O)O)O)O","InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1","(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one","2001-10-02","2020-07-17","(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)",""],["14A","N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE","C19 H27 Cl N4 O3","O=C(N(CC=C)C1CCCC1)c2cc(OCCCONC(=[N@H])N)cc(Cl)c2;NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C2CCCC2;C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N","InChI=1S/C19H27ClN4O3/c1-2-8-24(16-6-3-4-7-16)18(25)14-11-15(20)13-17(12-14)26-9-5-10-27-23-19(21)22/h2,11-13,16H,1,3-10H2,(H4,21,22,23)","","2005-02-02","2011-06-04","3-[3-(carbamimidamidooxy)propoxy]-5-chloro-N-cyclopentyl-N-prop-2-en-1-ylbenzamide",""],["ETF","TRIFLUOROETHANOL","C2 H3 F3 O","FC(F)(F)CO;OCC(F)(F)F;C(C(F)(F)F)O","InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2","","1999-07-08","2011-06-04","2,2,2-trifluoroethanol",""],["14B","2-amino-3,5-dimethylbenzoic acid","C9 H11 N O2","O=C(O)c1cc(cc(c1N)C)C;Cc1cc(C)c(N)c(c1)C(O)=O;Cc1cc(c(c(c1)C(=O)O)N)C","InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)","","2012-01-05","2012-12-07","2-amino-3,5-dimethylbenzoic acid","2012-12-07"],["ETG","(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide","C29 H41 N3 O5 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOCCOCCNC(=O)C35CC4CC(CC(C3)C4)C5;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCOCCOCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4","InChI=1S/C29H41N3O5S/c1-32(2)26-7-3-6-25-24(26)5-4-8-27(25)38(34,35)31-10-12-37-14-13-36-11-9-30-28(33)29-18-21-15-22(19-29)17-23(16-21)20-29/h3-8,21-23,31H,9-20H2,1-2H3,(H,30,33)/t21-,22+,23-,29-","","2010-10-12","2011-06-04","(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["14C","2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione","C14 H9 Cl N2 O2","Clc1nccc(c1)N3C(=O)c2cccc(c2C3=O)C;Cc1cccc2C(=O)N(c3ccnc(Cl)c3)C(=O)c12;Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl","InChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3","","2008-01-21","2011-06-04","2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione",""],["ETH","ETHYL GROUP","C2 H5","CC;[CH2]C;C[CH2]","InChI=1/C2H6/c1-2/h1-2H3","","1999-07-08","2008-10-14","ethane",""],["ETI","IODOETHANE","C2 H5 I","ICC;CCI;CCI","InChI=1S/C2H5I/c1-2-3/h2H2,1H3","","2000-10-13","2011-06-04","iodoethane",""],["14D","5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione","C24 H24 F3 N3 O3","FC(F)(F)c4cc(Oc1cc(ccc1)CN3CCCC(N2C=C(C(=O)NC2=O)C)C3)ccc4;CC1=CN([CH]2CCCN(C2)Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F","InChI=1S/C24H24F3N3O3/c1-16-13-30(23(32)28-22(16)31)19-7-4-10-29(15-19)14-17-5-2-8-20(11-17)33-21-9-3-6-18(12-21)24(25,26)27/h2-3,5-6,8-9,11-13,19H,4,7,10,14-15H2,1H3,(H,28,31,32)/t19-/m0/s1","","2012-10-04","2012-10-19","5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione","2012-10-19"],["ETJ","(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile","C16 H18 N2 O3","CC1(C)Oc2ccc(cc2[CH]([CH]1O)N3CCCC3=O)C#N;CC1(C(C(c2cc(ccc2O1)C#N)N3CCCC3=O)O)C","InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1","Levcromakalim","2022-04-22","2022-05-13","(3~{S},4~{R})-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile","2022-05-18"],["14E","(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid","C19 H17 Br N O5 P","Brc1ccc(cc1)P(=O)(O)CC(C(=O)O)Cc3onc(c2ccccc2)c3;OC(=O)[CH](Cc1onc(c1)c2ccccc2)C[P](O)(=O)c3ccc(Br)cc3;c1ccc(cc1)c2cc(on2)CC(CP(=O)(c3ccc(cc3)Br)O)C(=O)O","InChI=1S/C19H17BrNO5P/c20-15-6-8-17(9-7-15)27(24,25)12-14(19(22)23)10-16-11-18(21-26-16)13-4-2-1-3-5-13/h1-9,11,14H,10,12H2,(H,22,23)(H,24,25)/t14-/m1/s1","","2012-10-04","2013-02-01","(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid","2013-02-01"],["14F","2-amino-4,5-dimethoxybenzoic acid","C9 H11 N O4","O=C(O)c1c(cc(OC)c(OC)c1)N;COc1cc(N)c(cc1OC)C(O)=O;COc1cc(c(cc1OC)N)C(=O)O","InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)","","2011-03-28","2012-09-21","2-amino-4,5-dimethoxybenzoic acid","2012-09-21"],["ETK","4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid","C23 H27 F3 N2 O4 S2","N[S](=O)(=O)c1c(F)c(F)c(SCCc2ccc(cc2)C(O)=O)c(F)c1NC3CCCCCCC3;c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O","InChI=1S/C23H27F3N2O4S2/c24-17-18(25)22(34(27,31)32)20(28-16-6-4-2-1-3-5-7-16)19(26)21(17)33-13-12-14-8-10-15(11-9-14)23(29)30/h8-11,16,28H,1-7,12-13H2,(H,29,30)(H2,27,31,32)","","2018-04-11","2018-06-29","4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid","2018-07-04"],["14H","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide","C24 H41 N O3","O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1;CCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO","InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1","","2009-04-22","2011-06-04","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide",""],["ETL","1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide","C23 H24 Cl N5 O2","Clc1ccc(cc1)C1(CCCC1)C(=O)N1CCCC1C(=O)Nc1ccc2[NH]ncc2n1;Clc1ccc(cc1)C2(CCCC2)C(=O)N3CCC[CH]3C(=O)Nc4ccc5[nH]ncc5n4;c1cc(ccc1C2(CCCC2)C(=O)N3CCCC3C(=O)Nc4ccc5c(n4)cn[nH]5)Cl","InChI=1S/C23H24ClN5O2/c24-16-7-5-15(6-8-16)23(11-1-2-12-23)22(31)29-13-3-4-19(29)21(30)27-20-10-9-17-18(26-20)14-25-28-17/h5-10,14,19H,1-4,11-13H2,(H,25,28)(H,26,27,30)/t19-/m1/s1","","2021-12-13","2022-11-04","1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide","2022-11-09"],["ETM","2-(TRIMETHYLAMMONIUM)ETHYL THIOL","C5 H14 N S","SCC[N+](C)(C)C;C[N+](C)(C)CCS;C[N+](C)(C)CCS","InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1","","2003-09-26","2024-09-27","N,N,N-trimethyl-2-sulfanylethanaminium",""],["14I","naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid","C16 H8 O6","O=C(O)c4oc1c(c3c(cc1)ccc2oc(cc23)C(=O)O)c4;OC(=O)c1oc2ccc3ccc4oc(cc4c3c2c1)C(O)=O;c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O","InChI=1S/C16H8O6/c17-15(18)12-5-8-10(21-12)3-1-7-2-4-11-9(14(7)8)6-13(22-11)16(19)20/h1-6H,(H,17,18)(H,19,20)","","2010-03-26","2011-06-04","naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid",""],["14J","5-bromofuran-2-carboxylic acid","C5 H3 Br O3","O=C(O)c1oc(Br)cc1;OC(=O)c1oc(Br)cc1;c1cc(oc1C(=O)O)Br","InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)","","2012-10-05","2013-09-06","5-bromofuran-2-carboxylic acid","2013-09-11"],["ETN","METHYLETHYLAMINE","C3 H9 N","N(CC)C;CCNC;CCNC","InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3","","1999-07-08","2011-06-04","N-methylethanamine",""],["14K","4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine","C22 H28 F N9 O3 S","O=S(=O)(N4CCN(C(c2cc(c1nc(nc(n1)N)C)c(nc2)Nc3cc(F)c(OC)nc3)C)CC4)C;COc1ncc(Nc2ncc(cc2c3nc(C)nc(N)n3)[CH](C)N4CCN(CC4)[S](C)(=O)=O)cc1F;Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)C(C)N4CCN(CC4)S(=O)(=O)C","InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1","","2012-06-20","2012-08-24","4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine","2012-08-24"],["ETO","ETHOXYCARBONYL GROUP","C3 H6 O2","O=COCC;CCOC=O;CCOC=O","InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","","1999-07-08","2008-10-14","ethyl formate",""],["14L","(11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol","C24 H18 O3","OC6c3c(c2c1ccccc1c5c4c2c(c3)ccc4ccc5)CC(O)C6O;O[CH]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[CH](O)[CH]1O;c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)C(C(C(C6)O)O)O","InChI=1S/C24H18O3/c25-19-11-17-18(23(26)24(19)27)10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)22(17)21(13)20(12)15/h1-10,19,23-27H,11H2/t19-,23-,24-/m0/s1","","2012-10-05","2012-11-16","(11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol","2012-11-16"],["ETP","3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID","C16 H14 B N O6 S3","O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3;OB(O)c1cccc(N[S](=O)(=O)c2scc(c2)[S](=O)(=O)c3ccccc3)c1;B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O","InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H","","2000-12-07","2024-09-27","[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid",""],["ETQ","3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide","C17 H25 Cl N2 O3","Clc1cc(c(O)c(c1OC)C(=O)NCC2N(CC)CCC2)CC;CCN1CCC[CH]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC;CCc1cc(c(c(c1O)C(=O)NCC2CCCN2CC)OC)Cl","InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1","","2010-10-21","2011-06-04","3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide",""],["14M","{(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid","C22 H33 N3 O3 S","O=C(O)CC3CCCN(c2nc(SCCC)c(C(=O)NC1CCCCC1)cc2)C3;CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCC[CH](C3)CC(O)=O;CCCSc1c(ccc(n1)N2CCCC(C2)CC(=O)O)C(=O)NC3CCCCC3","InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1","","2012-10-08","2012-10-12","{(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid","2012-10-12"],["ETR","N-ETHYL RETINAMIDE","C22 H33 N O","O=C(NCC)C=C(C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C;CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C","InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+","","1999-07-08","2011-06-04","15-(ethylamino)retinal",""],["14N","4-(4-methylpiperazin-1-yl)benzoic acid","C12 H16 N2 O2","O=C(O)c1ccc(cc1)N2CCN(C)CC2;CN1CCN(CC1)c2ccc(cc2)C(O)=O;CN1CCN(CC1)c2ccc(cc2)C(=O)O","InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)","","2013-01-15","2013-02-01","4-(4-methylpiperazin-1-yl)benzoic acid","2013-02-01"],["QM7","6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide","C22 H26 N4 O4","CCC[CH](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1;CCCC(CO)NC(=O)c1ccc(nc1)OCc2c(onc2c3ccc(nc3)C)C","InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1","","2022-11-09","2023-10-27","6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide","2023-11-01"],["14O","5-fluoro-1H-indole","C8 H6 F N","Fc1cc2c(cc1)ncc2;Fc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1F","InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H","","2009-01-20","2011-06-04","5-fluoro-1H-indole",""],["QM8","6-Sulfanyl-L-norleucine","C6 H13 N O2 S","N[CH](CCCCS)C(O)=O;C(CCS)CC(C(=O)O)N","InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1","(2S)-2-azanyl-6-sulfanyl-hexanoic acid; 6-mercaptonorleucine","2020-06-30","2024-09-27","(2~{S})-2-azanyl-6-sulfanyl-hexanoic acid","2022-01-26"],["14Q","5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine","C23 H22 N4 O3","O1c2ccc(cc2OC1)c3cc(cc(OC)c3)CC#Cc4c(nc(nc4N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc4OCOc4c3;CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4","InChI=1S/C23H22N4O3/c1-3-19-18(22(24)27-23(25)26-19)6-4-5-14-9-16(11-17(10-14)28-2)15-7-8-20-21(12-15)30-13-29-20/h7-12H,3,5,13H2,1-2H3,(H4,24,25,26,27)","","2012-10-08","2013-03-22","5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine","2013-03-27"],["QM9","(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H16 Cl N3 O2","Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21;N[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)N","InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1","","2023-08-18","2023-11-03","(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["14R","5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one","C31 H27 N7 O","O=C1N(C=Cc2nc(n(c12)C6c5ccc(c3ccccc3c4nnnn4)cc5CC6)CC)Cc7ccccc7;CCc1nc2C=CN(Cc3ccccc3)C(=O)c2n1[CH]4CCc5cc(ccc45)c6ccccc6c7[nH]nnn7;CCc1nc2c(n1C3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7","InChI=1S/C31H27N7O/c1-2-28-32-26-16-17-37(19-20-8-4-3-5-9-20)31(39)29(26)38(28)27-15-13-22-18-21(12-14-24(22)27)23-10-6-7-11-25(23)30-33-35-36-34-30/h3-12,14,16-18,27H,2,13,15,19H2,1H3,(H,33,34,35,36)/t27-/m0/s1","","2012-10-09","2013-08-16","5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one","2013-08-21"],["QMA","2-hydroxy-6-methoxynaphthalene-1-carbaldehyde","C12 H10 O3","c1cc(O)c(C=O)c2ccc(cc12)OC;COc1ccc2c(ccc(O)c2C=O)c1;COc1ccc2c(c1)ccc(c2C=O)O","InChI=1S/C12H10O3/c1-15-9-3-4-10-8(6-9)2-5-12(14)11(10)7-13/h2-7,14H,1H3","","2019-11-19","2020-11-13","2-hydroxy-6-methoxynaphthalene-1-carbaldehyde","2020-11-18"],["14S","4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide","C25 H34 N6 O3","O=C4N(CCCNC(=O)c2cnc(nc2NC1CCCC1)NCc3ccccc3OC)CCC4;COc1ccccc1CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2;COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O","InChI=1S/C25H34N6O3/c1-34-21-11-5-2-8-18(21)16-27-25-28-17-20(23(30-25)29-19-9-3-4-10-19)24(33)26-13-7-15-31-14-6-12-22(31)32/h2,5,8,11,17,19H,3-4,6-7,9-10,12-16H2,1H3,(H,26,33)(H2,27,28,29,30)","","2012-10-09","2013-03-08","4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide","2013-03-13"],["14T","3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside","C14 H15 F4 N O6","FC(F)C(=O)NC2C(O)C(O)C(OC2Oc1cc(F)c(F)cc1)CO;OC[CH]1O[CH](Oc2ccc(F)c(F)c2)[CH](NC(=O)C(F)F)[CH](O)[CH]1O;c1cc(c(cc1OC2C(C(C(C(O2)CO)O)O)NC(=O)C(F)F)F)F","InChI=1S/C14H15F4NO6/c15-6-2-1-5(3-7(6)16)24-14-9(19-13(23)12(17)18)11(22)10(21)8(4-20)25-14/h1-3,8-12,14,20-22H,4H2,(H,19,23)/t8-,9-,10-,11-,14-/m1/s1","3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucoside; 3,4-difluorophenyl\n2-deoxy-2-[(difluoroacetyl)amino]-D-glucoside; 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-glucoside","2009-12-08","2020-07-17","3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside",""],["QMB","5-Mercapto-norvaline","C5 H11 N O2 S","N[CH](CCCS)C(O)=O;C(CC(C(=O)O)N)CS","InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1","(2S)-2-azanyl-5-sulfanyl-pentanoic acid","2020-06-30","2024-09-27","(2~{S})-2-azanyl-5-sulfanyl-pentanoic acid","2022-01-26"],["14U","(2S)-2-methyl-3-oxooctadecanoic acid","C19 H36 O3","O=C(CCCCCCCCCCCCCCC)C(C(=O)O)C;CCCCCCCCCCCCCCCC(=O)[CH](C)C(O)=O;CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O","InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19(21)22/h17H,3-16H2,1-2H3,(H,21,22)/t17-/m0/s1","","2011-06-28","2024-09-27","(2S)-2-methyl-3-oxooctadecanoic acid","2013-04-24"],["QMD","2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid","C19 H20 N3 O12 P","C(C(O)C(CN2C=3C(=Cc1ccc(O)cc12)C(=O)NC(N=3)=O)O)(O)COP(O)(=O)OC(=C)C(O)=O;O[CH](CO[P](O)(=O)OC(=C)C(O)=O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13;C=C(C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O","InChI=1S/C19H20N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,13-15,23-26H,1,6-7H2,(H,28,29)(H,31,32)(H,21,27,30)/t13-,14+,15-/m0/s1","","2019-11-20","2020-05-08","5-O-[(S)-[(1-carboxyethenyl)oxy](hydroxy)phosphoryl]-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol","2020-05-13"],["QME","2-[(2~{R})-piperidin-2-yl]-1~{H}-indole","C13 H16 N2","C1CC[CH](NC1)c2[nH]c3ccccc3c2;c1ccc2c(c1)cc([nH]2)C3CCCCN3","InChI=1S/C13H16N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-2,5-6,9,12,14-15H,3-4,7-8H2/t12-/m1/s1","","2020-06-30","2020-08-14","2-[(2~{R})-piperidin-2-yl]-1~{H}-indole","2020-08-19"],["14V","3,5-dioxoicosanoic acid","C20 H36 O4","O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O;CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O","InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)","","2011-06-28","2024-09-27","3,5-dioxoicosanoic acid","2013-04-24"],["QMF","3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid","C21 H19 N3 O4 S","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2sc1C(=O)O;OC(=O)c1sc2ccccc2c1CNC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1ccc2c(c1)c(c(s2)C(=O)O)CNC(=O)c3ccc(cc3)NC(=O)NC4CC4","InChI=1S/C21H19N3O4S/c25-19(12-5-7-13(8-6-12)23-21(28)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)29-18(16)20(26)27/h1-8,14H,9-11H2,(H,22,25)(H,26,27)(H2,23,24,28)","","2022-06-14","2022-07-01","3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid","2022-07-06"],["14W","N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE","C10 H15 N3","[N@H]=C(NCc1cccc(c1)CN)C;CC(=N)NCc1cccc(CN)c1;[H]N=C(C)NCc1cccc(c1)CN","InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)","","2000-09-05","2011-06-04","(1Z)-N-[3-(aminomethyl)benzyl]ethanimidamide",""],["14X","3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one","C13 H17 N3 O3 S","O=S(=O)(c2cc1c(NC(=O)N(C)C1)cc2)N3CCCC3;CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)N3CCCC3;CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3","InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)","","2012-10-11","2012-10-26","3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one","2012-10-26"],["QMG","3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide","C20 H19 N3 O2","C1C(C1)NC(c4ccc(C)c(c2cc(C(C)=O)n3c2nccc3)c4)=O;CC(=O)c1cc(c2ncccn12)c3cc(ccc3C)C(=O)NC4CC4;Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4","InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)","","2019-11-20","2020-03-06","3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide","2020-03-11"],["14Y","METHYL(E)-OCTADEC-9-ENOATE","C19 H36 O2","CCCCCCCCC=CCCCCCCCC(=O)OC;CCCCCCCCC=CCCCCCCCC(=O)OC","InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+","","2011-05-31","2023-09-23","methyl (~{E})-octadec-9-enoate",""],["QMH","(2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid","C18 H27 N O4","CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O;CCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)O","InChI=1S/C18H27NO4/c1-4-5-6-7-12-23-15-10-8-14(9-11-15)17(20)19-16(13(2)3)18(21)22/h8-11,13,16H,4-7,12H2,1-3H3,(H,19,20)(H,21,22)/t16-/m0/s1","","2020-07-01","2020-11-20","(2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid","2020-11-25"],["QMI","4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE","C12 H12 Br Cl2 N3 O2 S","Clc1cc(Br)cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C;Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1C;Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl","InChI=1S/C12H12BrCl2N3O2S/c1-6-11(7(2)18(3)16-6)17-21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,17H,1-3H3","","2011-09-29","2014-09-05","4-bromo-2,6-dichloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide",""],["14Z","N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide","C11 H15 N3 O3 S","O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)NCC;CCN[S](=O)(=O)c1ccc2NC(=O)N(C)Cc2c1;CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C","InChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15)","","2012-10-11","2012-10-26","N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide","2012-10-26"],["150","4,5-DIMETHYL-1,2-PHENYLENEDIAMINE","C8 H12 N2","Nc1cc(c(cc1N)C)C;Cc1cc(N)c(N)cc1C;Cc1cc(c(cc1C)N)N","InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3","","2002-03-19","2011-06-04","4,5-dimethylbenzene-1,2-diamine",""],["QMJ","ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate","C18 H19 N3 O4","CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[CH]4c12;CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N4C2CCC4)OC","InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1","","2022-11-09","2023-10-27","ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate","2023-11-01"],["151","(2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID","C19 H30 N4 O6 S","O=C(O)C(C(C)C)C3N(C(=O)c1nc(oc1)CN2CCCC2)CCC3NS(=O)(=O)C;CC(C)[CH]([CH]1[CH](CCN1C(=O)c2coc(CN3CCCC3)n2)N[S](C)(=O)=O)C(O)=O;CC(C)C(C1C(CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O","InChI=1S/C19H30N4O6S/c1-12(2)16(19(25)26)17-13(21-30(3,27)28)6-9-23(17)18(24)14-11-29-15(20-14)10-22-7-4-5-8-22/h11-13,16-17,21H,4-10H2,1-3H3,(H,25,26)/t13-,16+,17-/m1/s1","","2002-07-05","2024-09-27","(2S)-3-methyl-2-[(2S,3R)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl]butanoic acid",""],["QMK","~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide","C11 H19 N4 O8 P","CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CC(=O)NCCc1cn(nn1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H19N4O8P/c1-6(16)12-3-2-7-4-15(14-13-7)11-10(18)9(17)8(23-11)5-22-24(19,20)21/h4,8-11,17-18H,2-3,5H2,1H3,(H,12,16)(H2,19,20,21)/t8-,9-,10-,11-/m1/s1","","2020-07-03","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-[4-(2-acetamidoethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2021-04-14"],["152","CARNITINE","C7 H16 N O3","O=C(O)CC(O)C[N+](C)(C)C;C[N+](C)(C)C[CH](O)CC(O)=O;C[N+](C)(C)CC(CC(=O)O)O","InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1","(3-CARBOXY-2-(R)-HYDROXY-PROPYL)-TRIMETHYL-AMMONIUM","2002-12-19","2021-03-01","(2R)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium",""],["QML","(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide","C21 H17 Cl N2 O3","CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(Cl)cc21;CCC(=O)N(C(=O)[CH]1COc2ccc(Cl)cc12)c3cncc4ccccc34;CCC(=O)N(c1cncc2c1cccc2)C(=O)C3COc4c3cc(cc4)Cl","InChI=1S/C21H17ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h3-11,17H,2,12H2,1H3/t17-/m1/s1","","2023-08-18","2024-09-27","(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide","2023-11-08"],["QMM","N,N-dimethyl-L-glutamine","C7 H14 N2 O3","O=C(N(C)C)CCC(N)C(=O)O;CN(C)C(=O)CC[CH](N)C(O)=O;CN(C)C(=O)CCC(C(=O)O)N","InChI=1S/C7H14N2O3/c1-9(2)6(10)4-3-5(8)7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)/t5-/m0/s1","","2010-07-06","2024-09-27","N,N-dimethyl-L-glutamine",""],["153","(2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID","C24 H18 Cl2 F3 N O3","O=C(c1ccc(Cl)cc1Cl)N(C(C(=O)O)Cc2ccccc2)Cc3cccc(c3)C(F)(F)F;OC(=O)[CH](Cc1ccccc1)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(Cl)cc3Cl;c1ccc(cc1)CC(C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl","InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)/t21-/m0/s1","","2003-01-06","2011-06-04","N-[(2,4-dichlorophenyl)carbonyl]-N-[3-(trifluoromethyl)benzyl]-L-phenylalanine",""],["QMN","ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate","C27 H24 N4 O4","O=C(OCC)c3c2NC1=C(C(=O)CCC1)C(c2cn3)c6cc(Oc5nc4ccccc4n5)ccc6;CCOC(=O)c1[nH]cc2[CH](c3cccc(Oc4[nH]c5ccccc5n4)c3)C6=C(CCCC6=O)Nc12;CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5","InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1","","2014-09-05","2014-11-14","ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate","2014-11-19"],["154","(2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-2-YLMETHYL)-(2,4-DICHLORO-BENZOYL)-AMINO]-3-PHENYL-PROPIONIC ACID","C29 H21 Cl2 N O4 S","Clc1ccc(c(Cl)c1)C(=O)N(C(C(=O)O)Cc2ccccc2)Cc5sc(c4oc3c(cccc3)c4)cc5;OC(=O)[CH](Cc1ccccc1)N(Cc2sc(cc2)c3oc4ccccc4c3)C(=O)c5ccc(Cl)cc5Cl;c1ccc(cc1)CC(C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl","InChI=1S/C29H21Cl2NO4S/c30-20-10-12-22(23(31)16-20)28(33)32(24(29(34)35)14-18-6-2-1-3-7-18)17-21-11-13-27(37-21)26-15-19-8-4-5-9-25(19)36-26/h1-13,15-16,24H,14,17H2,(H,34,35)/t24-/m0/s1","","2003-01-07","2011-06-04","N-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine",""],["155","6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE","C24 H24 N4 O","O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4ccc3c(C(=NCC3)C(C)C)c4;CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12;CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N","InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29)","6-[N-(1-ISOPROPYL-3,4-DIHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE","2003-04-09","2020-06-17","6-carbamimidoyl-N-[1-(1-methylethyl)-3,4-dihydroisoquinolin-7-yl]naphthalene-2-carboxamide",""],["QMO","(1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H23 N3 O5","CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;CC(C)NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)cccc23)C(O)=O;CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc(c3CC2C(=O)O)O","InChI=1S/C21H23N3O5/c1-11(2)22-21(29)23-13-8-6-12(7-9-13)19(26)24-18-14-4-3-5-17(25)15(14)10-16(18)20(27)28/h3-9,11,16,18,25H,10H2,1-2H3,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["156","4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID","C24 H26 O3","O=C(O)c1ccc(cc1)C=CC(=O)c2ccc3c(c2)C(CCC3(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)C=Cc3ccc(cc3)C(O)=O;CC1(CCC(c2c1ccc(c2)C(=O)C=Cc3ccc(cc3)C(=O)O)(C)C)C","InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15H,13-14H2,1-4H3,(H,26,27)/b12-7+","","2001-09-06","2011-06-04","4-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid",""],["QMP","cyclohexyl methylphosphonate","C7 H15 O3 P","O=P(O)(OC1CCCCC1)C;C[P](O)(=O)OC1CCCCC1;CP(=O)(O)OC1CCCCC1","InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)","","2011-11-23","2012-07-27","cyclohexyl hydrogen (R)-methylphosphonate",""],["157","6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE","C12 H22 N2 O2","O=CC(CCCCC(=[N@H])N)C1CCCC1O;NC(=N)CCCC[CH](C=O)[CH]1CCC[CH]1O;C1CC(C(C1)O)C(CCCCC(=N)N)C=O","InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1","GR157368","1999-07-08","2024-09-27","(1E,6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide",""],["QMQ","1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium","C30 H34 N7","n1c(c2ncn(c2nc1)Cc3ccc(cc3)CCCCc4ccc(cc4)C[n+]5ccc(N(C)C)cc5)N;CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(Cn4cnc5c(N)ncnc45)cc3)cc2)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N","InChI=1S/C30H34N7/c1-35(2)27-15-17-36(18-16-27)19-25-11-7-23(8-12-25)5-3-4-6-24-9-13-26(14-10-24)20-37-22-34-28-29(31)32-21-33-30(28)37/h7-18,21-22H,3-6,19-20H2,1-2H3,(H2,31,32,33)/q+1","","2013-02-06","2014-09-05","1-[4-(4-{4-[(6-amino-9H-purin-9-yl)methyl]phenyl}butyl)benzyl]-4-(dimethylamino)pyridinium","2013-02-22"],["158","3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID","C7 H11 N O4 S","O=C(C(NC(=O)CS)CC(=O)O)C;CC(=O)[CH](CC(O)=O)NC(=O)CS;CC(=O)C(CC(=O)O)NC(=O)CS","InChI=1S/C7H11NO4S/c1-4(9)5(2-7(11)12)8-6(10)3-13/h5,13H,2-3H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1","","2003-01-16","2024-09-27","(3S)-4-oxo-3-[(sulfanylacetyl)amino]pentanoic acid",""],["QMR","VARENICLINE","C13 H13 N3","n1c2cc3c(cc2ncc1)C4CNCC3C4;C1NC[CH]2C[CH]1c3cc4nccnc4cc23;c1cnc2cc3c(cc2n1)C4CC3CNC4","InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+","","2012-01-19","2014-04-28","(6R,10S)-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline",""],["159","2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID","C9 H11 N O5 S2","O=C(O)c1cc(ccc1O)S(=O)(=O)NCCS;OC(=O)c1cc(ccc1O)[S](=O)(=O)NCCS;c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O","InChI=1S/C9H11NO5S2/c11-8-2-1-6(5-7(8)9(12)13)17(14,15)10-3-4-16/h1-2,5,10-11,16H,3-4H2,(H,12,13)","","2003-01-16","2011-06-04","2-hydroxy-5-[(2-sulfanylethyl)sulfamoyl]benzoic acid",""],["QMS","N-(QUINOLIN-8-YL)METHANESULFONAMIDE","C10 H10 N2 O2 S","O=S(=O)(Nc1cccc2cccnc12)C;C[S](=O)(=O)Nc1cccc2cccnc12;CS(=O)(=O)Nc1cccc2c1nccc2","InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3","","2005-10-24","2011-06-04","N-quinolin-8-ylmethanesulfonamide",""],["15A","(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol","C8 H17 N3 O4","OC1C(O)C(O)C(=N/CCN)/NC1CO;NCCN=C1N[CH](CO)[CH](O)[CH](O)[CH]1O;C(CN=C1C(C(C(C(N1)CO)O)O)O)N","InChI=1S/C8H17N3O4/c9-1-2-10-8-7(15)6(14)5(13)4(3-12)11-8/h4-7,12-15H,1-3,9H2,(H,10,11)/t4-,5-,6+,7+/m1/s1","","2008-03-18","2011-06-04","(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol",""],["QMT","2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol","C21 H22 N4 O2","Nc1nnc(cc1N2CCC[CH](C2)Oc3ccccc3)c4ccccc4O;c1ccc(cc1)OC2CCCN(C2)c3cc(nnc3N)c4ccccc4O","InChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1","MW278","2020-07-06","2020-08-21","2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol","2020-08-26"],["15B","N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE","C23 H37 N5 O9","[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCCN2CCN(CCCN)CC2)c3;NCCCN1CCN(CCCNC(=O)c2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc(c2)[N+]([O-])=O)CC1;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN","InChI=1S/C23H37N5O9/c24-3-1-5-26-7-9-27(10-8-26)6-2-4-25-22(33)15-11-16(28(34)35)13-17(12-15)36-23-21(32)20(31)19(30)18(14-29)37-23/h11-13,18-21,23,29-32H,1-10,14,24H2,(H,25,33)/t18-,19+,20+,21-,23-/m1/s1","","2003-07-17","2011-06-04","N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(beta-D-galactopyranosyloxy)-5-nitrobenzamide",""],["QMU","Bretazenil","C19 H20 Br N3 O3","CC(C)(C)OC(=O)c1ncn2c3cccc(Br)c3C(=O)N4CCC[CH]4c12;CC(C)(C)OC(=O)c1c2n(cn1)-c3cccc(c3C(=O)N4C2CCC4)Br","InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1","~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate","2022-11-09","2023-11-10","~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate","2023-11-15"],["QMV","6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile","C18 H12 Cl F N6 O","c1(c(cc(cc1)c4c(c3ccc2n(c(cn2)C#N)n3)n(cn4)CCO)Cl)F;OCCn1cnc(c2ccc(F)c(Cl)c2)c1c3ccc4ncc(C#N)n4n3;c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F","InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2","","2019-11-22","2020-01-31","6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile","2020-02-05"],["15C","2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione","C17 H13 N O3","O=C(c1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C)C;CC(=O)c1ccc(cc1)N2C(=O)c3cccc(C)c3C2=O;Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C","InChI=1S/C17H13NO3/c1-10-4-3-5-14-15(10)17(21)18(16(14)20)13-8-6-12(7-9-13)11(2)19/h3-9H,1-2H3","","2009-08-06","2011-06-04","2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione",""],["15E","6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one","C9 H9 Br N2 O","Brc1ccc2NC(=O)N(Cc2c1)C;CN1Cc2cc(Br)ccc2NC1=O;CN1Cc2cc(ccc2NC1=O)Br","InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)","","2012-10-11","2012-10-26","6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one","2012-10-26"],["QMW","1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol","C15 H18 N4 O2","Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O;c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O","InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18)","DP28","2020-07-06","2020-08-21","1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol","2020-08-26"],["15F","1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM","C15 H14 Cl3 N2 O","ClC(Cl)(Cl)C(OCc1cc[n+](cc1)Cc2ccccc2)=[N@H];ClC(Cl)(Cl)C(=N)OCc1cc[n+](Cc2ccccc2)cc1;c1ccc(cc1)C[n+]2ccc(cc2)COC(=N)C(Cl)(Cl)Cl","InChI=1S/C15H14Cl3N2O/c16-15(17,18)14(19)21-11-13-6-8-20(9-7-13)10-12-4-2-1-3-5-12/h1-9,19H,10-11H2/q+1/b19-14-","","2012-07-04","2014-09-05","1-benzyl-4-({[(1Z)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium","2012-08-24"],["QMX","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C25 H24 Cl N5 O2","Cn1ccc(n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;Cn1ccc(CNC[C]2(CCOc3ccc(Cl)cc23)C(=O)Nc4cncc5ccccc45)n1;Cn1ccc(n1)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5","InChI=1S/C25H24ClN5O2/c1-31-10-8-19(30-31)14-28-16-25(9-11-33-23-7-6-18(26)12-21(23)25)24(32)29-22-15-27-13-17-4-2-3-5-20(17)22/h2-8,10,12-13,15,28H,9,11,14,16H2,1H3,(H,29,32)/t25-/m0/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QMY","6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine","C18 H15 F2 N5","C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4cccc(C)n4;Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3;Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3","InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3","","2019-11-22","2020-01-31","6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine","2020-02-05"],["15G","2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","C20 H17 F2 N3 O3","Fc4ccc(OCc3ncc(OC)c(c2cc1C(=O)NCCc1n2)c3)cc4F;COc1cnc(COc2ccc(F)c(F)c2)cc1c3[nH]c4CCNC(=O)c4c3;COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F","InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)","","2012-10-11","2012-11-16","2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","2012-11-16"],["15H","(1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol","C24 H25 N5 O2 S","OC(C)C5CCN(c4nccnc4Oc1ccc(cc1)Nc2nc3ccccc3s2)CC5;C[CH](O)C1CCN(CC1)c2nccnc2Oc3ccc(Nc4sc5ccccc5n4)cc3;CC(C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O","InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)/t16-/m0/s1","","2012-10-12","2012-12-07","(1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol","2012-12-07"],["QMZ","[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone","C20 H23 N5 O4","COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34;COc1cc(cc(c1OC)OC)C(=O)N2CCCC(C2)c3ccnc4n3ncn4","InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1","","2020-07-06","2020-07-17","[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone","2020-07-22"],["15I","6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine","C14 H20 N6","n4c1c(ncnc1N3CCC2(CCCNC2)CC3)nc4;C1CNCC2(C1)CCN(CC2)c3ncnc4[nH]cnc34;c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3","InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)","","2013-02-20","2014-09-05","9-(9H-purin-6-yl)-2,9-diazaspiro[5.5]undecane","2013-03-06"],["QN0","(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H23 N3 O5","CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;CC(C)NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)cccc23)C(O)=O;CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc(c3CC2C(=O)O)O","InChI=1S/C21H23N3O5/c1-11(2)22-21(29)23-13-8-6-12(7-9-13)19(26)24-18-14-4-3-5-17(25)15(14)10-16(18)20(27)28/h3-9,11,16,18,25H,10H2,1-2H3,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["15J","(1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol","C24 H25 N5 O2","n4cccc(Oc3ccc(Nc2nc1ccccc1n2)cc3)c4N5CCC(CC5)CO;OCC1CCN(CC1)c2ncccc2Oc3ccc(Nc4[nH]c5ccccc5n4)cc3;c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO","InChI=1S/C24H25N5O2/c30-16-17-11-14-29(15-12-17)23-22(6-3-13-25-23)31-19-9-7-18(8-10-19)26-24-27-20-4-1-2-5-21(20)28-24/h1-10,13,17,30H,11-12,14-16H2,(H2,26,27,28)","","2012-10-12","2012-12-07","(1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol","2012-12-07"],["QN1","4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide","C34 H31 F6 N5 O6 S2","O=S(=O)(N(C3C(N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c2ccc(C(=O)N)cc2)CNC3)Cc4ccc(cc4)C(F)(F)F)c5ccc(C(=O)N)cc5;NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2)C(F)(F)F)[CH]3CNC[CH]3N(Cc4ccc(cc4)C(F)(F)F)[S](=O)(=O)c5ccc(cc5)C(N)=O;c1cc(ccc1CN(C2CNCC2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F","InChI=1S/C34H31F6N5O6S2/c35-33(36,37)25-9-1-21(2-10-25)19-44(52(48,49)27-13-5-23(6-14-27)31(41)46)29-17-43-18-30(29)45(20-22-3-11-26(12-4-22)34(38,39)40)53(50,51)28-15-7-24(8-16-28)32(42)47/h1-16,29-30,43H,17-20H2,(H2,41,46)(H2,42,47)/t29-,30-/m0/s1","","2007-08-03","2011-06-04","4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis{[4-(trifluoromethyl)benzyl]sulfamoyl}]dibenzamide",""],["15L","D-galactaro-1,5-lactone","C6 H8 O7","O=C(O)C1OC(=O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O;C1(C(C(OC(=O)C1O)C(=O)O)O)O","InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1","galactaro-1,5-lactone; (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-oxidotetrahydro-2H-pyran-2-carboxylate","2011-04-11","2020-07-17","(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["QN2","N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]","C30 H29 I2 N3 O4 S2","O=S(=O)(N(C3C(N(Cc1ccc(I)cc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccc(I)cc4)c5ccccc5;Ic1ccc(CN([CH]2CNC[CH]2N(Cc3ccc(I)cc3)[S](=O)(=O)c4ccccc4)[S](=O)(=O)c5ccccc5)cc1;c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)C3CNCC3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5","InChI=1S/C30H29I2N3O4S2/c31-25-15-11-23(12-16-25)21-34(40(36,37)27-7-3-1-4-8-27)29-19-33-20-30(29)35(22-24-13-17-26(32)18-14-24)41(38,39)28-9-5-2-6-10-28/h1-18,29-30,33H,19-22H2/t29-,30-/m0/s1","","2007-08-03","2011-06-04","N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]",""],["QN3","N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)","C30 H29 Cl2 N3 O4 S2","O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2Cl)CNC3)Cc4ccccc4)c5ccccc5Cl;Clc1ccccc1[S](=O)(=O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5ccccc5Cl;c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl","InChI=1S/C30H29Cl2N3O4S2/c31-25-15-7-9-17-29(25)40(36,37)34(21-23-11-3-1-4-12-23)27-19-33-20-28(27)35(22-24-13-5-2-6-14-24)41(38,39)30-18-10-8-16-26(30)32/h1-18,27-28,33H,19-22H2/t27-,28-/m0/s1","","2007-08-03","2011-06-04","N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)",""],["15M","(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-5-ENAMIDE","C25 H37 N O4","O=C(NCC)CCC/C=CCC2C(/C=C/C(O)CCc1ccccc1)C(O)CC2O;CCNC(=O)CCCC=CC[CH]1[CH](O)C[CH](O)[CH]1C=C[CH](O)CCc2ccccc2;CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCc2ccccc2)O)O)O","InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1","BIMATOPROST","2005-12-07","2020-06-17","(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide",""],["15N","(2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid","C9 H8 O4","O=C(O)C1Oc2ccccc2OC1;OC(=O)[CH]1COc2ccccc2O1;c1ccc2c(c1)OCC(O2)C(=O)O","InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m1/s1","","2012-10-14","2013-07-12","(2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid","2013-07-17"],["QN4","2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide","C13 H13 Cl N4 O4 S","C=2C=NN(CC(Nc1ccc(c(c1)S(N)(=O)=O)C)=O)C(C=2Cl)=O;Cc1ccc(NC(=O)CN2N=CC=C(Cl)C2=O)cc1[S](N)(=O)=O;Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl","InChI=1S/C13H13ClN4O4S/c1-8-2-3-9(6-11(8)23(15,21)22)17-12(19)7-18-13(20)10(14)4-5-16-18/h2-6H,7H2,1H3,(H,17,19)(H2,15,21,22)","","2019-11-22","2024-09-27","2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide","2020-11-25"],["QN5","2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid","C11 H11 N O2","Cc1[nH]c2ccccc2c1CC(O)=O;Cc1c(c2ccccc2[nH]1)CC(=O)O","InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)","2-Methylindole-3-acetic acid","2020-07-08","2021-05-14","2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid","2021-05-19"],["15O","1-chloronaphthalene","C10 H7 Cl","Clc2cccc1ccccc12;Clc1cccc2ccccc12;c1ccc2c(c1)cccc2Cl","InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H","","2012-10-15","2013-10-11","1-chloronaphthalene","2013-10-16"],["QN6","(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","C21 H25 N5","CC(C)Cc1c(c(nc2CCCCCc21)c1ccccc1)c1nnn[NH]1;CC(C)Cc1c2CCCCCc2nc(c3ccccc3)c1c4[nH]nnn4;CC(C)Cc1c2c(nc(c1c3[nH]nnn3)c4ccccc4)CCCCC2","InChI=1S/C21H25N5/c1-14(2)13-17-16-11-7-4-8-12-18(16)22-20(15-9-5-3-6-10-15)19(17)21-23-25-26-24-21/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,23,24,25,26)","","2023-05-08","2023-06-09","(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","2023-06-14"],["15P","POLYETHYLENE GLYCOL (N=34)","C69 H140 O35","O(CCOCCO)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C69H140O35/c1-71-4-5-73-8-9-75-12-13-77-16-17-79-20-21-81-24-25-83-28-29-85-32-33-87-36-37-89-40-41-91-44-45-93-48-49-95-52-53-97-56-57-99-60-61-101-64-65-103-68-69-104-67-66-102-63-62-100-59-58-98-55-54-96-51-50-94-47-46-92-43-42-90-39-38-88-35-34-86-31-30-84-27-26-82-23-22-80-19-18-78-15-14-76-11-10-74-7-6-72-3-2-70/h70H,2-69H2,1H3","PEG 1500","1999-11-17","2021-07-08","2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101-tetratriacontaoxatrihectan-103-ol",""],["QN7","(8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE","C24 H20 F3 N5 O","Fc1c(OC)cccc1c2cccc(c2)C4(N=C(N)N3C4=NCC(F)(F)C3)c5ccncc5;COc1cccc(c1F)c2cccc(c2)[C]3(N=C(N)N4CC(F)(F)CN=C34)c5ccncc5;COc1cccc(c1F)c2cccc(c2)C3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5","InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m1/s1","","2011-12-19","2014-09-05","(8S)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-(pyridin-4-yl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine",""],["15Q","2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol","C13 H9 Cl F N O3","Clc2c(c(O)ccc2c1cc(F)c(O)cc1)C=NO;ON=Cc1c(O)ccc(c2ccc(O)c(F)c2)c1Cl;c1cc(c(cc1c2ccc(c(c2Cl)C=NO)O)F)O","InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-6,17-19H/b16-6+","","2013-01-28","2013-03-22","2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol","2013-03-27"],["15R","(9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one","C33 H30 F N5 O4","O=C7c1cccc6c1C(N(C(=O)C5CCN(C(=O)c2c(F)ccc(c2)CC4=NNC(=O)c3c4cccc3)CC5)CC6)CN7;Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7C(=O)NC[CH]5c67;c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6C5CNC7=O)F","InChI=1S/C33H30FN5O4/c34-26-9-8-19(17-27-22-5-1-2-6-23(22)31(41)37-36-27)16-25(26)33(43)38-13-10-21(11-14-38)32(42)39-15-12-20-4-3-7-24-29(20)28(39)18-35-30(24)40/h1-9,16,21,28H,10-15,17-18H2,(H,35,40)(H,37,41)/t28-/m0/s1","","2012-10-16","2013-03-22","(9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one","2013-03-27"],["QN8","(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one","C8 H13 N O","C[CH]1N2CCC(CC2)C1=O;CC1C(=O)C2CCN1CC2","InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m1/s1","","2020-07-08","2024-09-27","(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one","2021-12-08"],["QN9","(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C28 H31 Cl N4 O4","OCCCN1CCN(CC1)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;OCCCN1CCN(CC1)C(=O)C[C]2(CCOc3ccc(Cl)cc23)C(=O)Nc4cncc5ccccc45;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCCO","InChI=1S/C28H31ClN4O4/c29-21-6-7-25-23(16-21)28(8-15-37-25,17-26(35)33-12-10-32(11-13-33)9-3-14-34)27(36)31-24-19-30-18-20-4-1-2-5-22(20)24/h1-2,4-7,16,18-19,34H,3,8-15,17H2,(H,31,36)/t28-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["15S","N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide","C27 H29 F N4 O3","Fc1ccc(cc1)C5=CCN(C(=O)C(NC(=O)CN4C2c3c(cccc3C(=O)NC2)CC4)C)CC5;C[CH](NC(=O)CN1CCc2cccc3C(=O)NC[CH]1c23)C(=O)N4CCC(=CC4)c5ccc(F)cc5;CC(C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4C3CNC5=O","InChI=1S/C27H29FN4O3/c1-17(27(35)31-12-9-19(10-13-31)18-5-7-21(28)8-6-18)30-24(33)16-32-14-11-20-3-2-4-22-25(20)23(32)15-29-26(22)34/h2-9,17,23H,10-16H2,1H3,(H,29,34)(H,30,33)/t17-,23-/m0/s1","","2012-10-16","2013-03-22","N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide","2013-03-27"],["QNA","(1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid","C10 H9 B F O5","OC(=O)c1c(F)ccc2[CH]3C[CH]3[B-](O)(O)Oc12;[B-]1(C2CC2c3ccc(c(c3O1)C(=O)O)F)(O)O","InChI=1S/C10H9BFO5/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14/h1-2,5-6,15-16H,3H2,(H,13,14)/q-1/t5-,6-/m1/s1","","2019-11-24","2020-03-20","(2~{S},4~{R})-9-fluoranyl-5,5-bis(oxidanyl)-6-oxa-5-boranuidatricyclo[5.4.0.0^{2,4}]undeca-1(11),7,9-triene-8-carboxylic acid","2020-03-25"],["15T","3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile","C19 H23 N5 O","N#CCCC4CCC(n3c(nc2cnc1nccc1c23)C(O)C)CC4;C[CH](O)c1nc2cnc3[nH]ccc3c2n1[CH]4CC[CH](CCC#N)CC4;CC(c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O","InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1","","2013-02-14","2013-05-17","3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile","2013-05-22"],["QNB","(3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate","C21 H23 N O3","O=C(OC2C1CCN(CC1)C2)C(O)(c3ccccc3)c4ccccc4;OC(C(=O)O[CH]1CN2CCC1CC2)(c3ccccc3)c4ccccc4;c1ccc(cc1)C(c2ccccc2)(C(=O)OC3CN4CCC3CC4)O","InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1","","2011-11-17","2012-01-27","(3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate",""],["15U","(2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic\nacid","C23 H36 N6 O5 S","O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[N@H])N;C[CH]1CCN([CH](C1)C(O)=O)C(=O)[CH](CCCNC(N)=N)N[S](=O)(=O)c2cccc3C[CH](C)CNc23;CC1CCN(C(C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C","InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15+,17+,18-/m1/s1","S-argatroban","2012-10-16","2020-06-17","(2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid","2013-03-13"],["QNC","quinoline-2-carboxylic acid","C10 H7 N O2","O=C(O)c1nc2ccccc2cc1;OC(=O)c1ccc2ccccc2n1;c1ccc2c(c1)ccc(n2)C(=O)O","InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)","","1999-07-08","2024-09-27","quinoline-2-carboxylic acid",""],["15V","N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C17 H13 Cl N6 O","Clc1cccc(c1)n2nc(cc2NC(=O)c3c4ncccn4nc3)C;Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4;Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4","InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)","","2012-10-17","2012-10-19","N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2012-10-19"],["QND","QUINALDIC ACID","C10 H7 N O2","O=C(O)c1nc2ccccc2cc1;OC(=O)c1ccc2ccccc2n1;c1ccc2c(c1)ccc(n2)C(=O)O","InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)","","1999-07-08","2011-08-06","quinoline-2-carboxylic acid",""],["15W","7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one","C16 H12 O4","O=C1c3c(OC(=C1)c2ccc(OC)cc2)cc(O)cc3;COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2;COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O","InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3","7-hydroxy-4'-methoxyflavone","2012-10-18","2020-06-17","7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one","2012-10-26"],["QNE","~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine","C28 H35 F2 N5 O","COc1cc(NC2CN(CCCF)C2)ccc1[CH]3N(CC4(F)CC4)[CH](C)Cc5c3ccc6n[nH]cc56;CC1Cc2c(ccc3c2c[nH]n3)C(N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF","InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/t18-,27+/m1/s1","","2020-07-08","2021-01-15","~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine","2021-01-20"],["15X","1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea","C21 H18 F N3 O4","O=N(=O)c3cccc(c1c(F)c(ccc1OC)Cc2ccc(NC(=O)N)cc2)c3;COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1c3cccc(c3)[N](=O)=O;COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N","InChI=1S/C21H18FN3O4/c1-29-18-10-7-15(11-13-5-8-16(9-6-13)24-21(23)26)20(22)19(18)14-3-2-4-17(12-14)25(27)28/h2-10,12H,11H2,1H3,(H3,23,24,26)","","2009-07-14","2011-06-04","1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea",""],["15Y","(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid","C10 H13 N O3 S","O=S(=O)(O)c1cccc2c1NCC(C2)C;C[CH]1CNc2c(C1)cccc2[S](O)(=O)=O;CC1Cc2cccc(c2NC1)S(=O)(=O)O","InChI=1S/C10H13NO3S/c1-7-5-8-3-2-4-9(15(12,13)14)10(8)11-6-7/h2-4,7,11H,5-6H2,1H3,(H,12,13,14)/t7-/m0/s1","","2012-10-16","2013-03-08","(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid","2013-03-13"],["QNF","(1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H16 N2 O6","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4NC(=O)COc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O","InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["15Z","2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one","C15 H10 O5","O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3;Oc1ccc2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O","InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H","7,3',4'-Trihydroxyflavone","2012-10-18","2021-03-13","2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one","2012-10-26"],["QNG","Lenacapavir","C39 H32 Cl F10 N7 O5 S2","C(Cc1cc(F)cc(c1)F)(c2nc(ccc2c3ccc(c4c3n(CC(F)(F)F)nc4NS(C)(=O)=O)Cl)C#CC(S(C)(=O)=O)(C)C)NC(=O)Cn5c6c(c(n5)C(F)(F)F)C7C(C6(F)F)C7;CC(C)(C#Cc1ccc(c(n1)[CH](Cc2cc(F)cc(F)c2)NC(=O)Cn3nc(c4[CH]5C[CH]5C(F)(F)c34)C(F)(F)F)c6ccc(Cl)c7c(N[S](C)(=O)=O)nn(CC(F)(F)F)c67)[S](C)(=O)=O;CC(C)(C#Cc1ccc(c(n1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C","InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1","Sunlenca; GS-CA1; GS-6207","2019-11-25","2024-12-18","N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide","2020-07-01"],["160","3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID","C20 H24 N2 O8 S5","O=C(c1sc(cc1)S(=O)(=O)C)NCCSSCc2cccc(c2)S(=O)(=O)NC(C(=O)C)CC(=O)O;CC(=O)[CH](CC(O)=O)N[S](=O)(=O)c1cccc(CSSCCNC(=O)c2sc(cc2)[S](C)(=O)=O)c1;CC(=O)C(CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C","InChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1","","2003-01-21","2024-09-27","(3S)-3-({[3-({[2-({[5-(methylsulfonyl)thiophen-2-yl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acid",""],["QNH","6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine","C24 H29 F3 N6","CCCN1CC(C1)Nc2ccc(nc2)[CH]3N(CC(F)(F)F)[CH](C)Cc4c3ccc5[nH]ncc45;CCCN1CC(C1)Nc2ccc(nc2)C3c4ccc5c(c4CC(N3CC(F)(F)F)C)cn[nH]5","InChI=1S/C24H29F3N6/c1-3-8-32-12-17(13-32)30-16-4-6-22(28-10-16)23-18-5-7-21-20(11-29-31-21)19(18)9-15(2)33(23)14-24(25,26)27/h4-7,10-11,15,17,23,30H,3,8-9,12-14H2,1-2H3,(H,29,31)/t15-,23+/m1/s1","","2020-07-08","2021-01-15","6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine","2021-01-20"],["161","5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID","C20 H20 N2 O9 S","O=C(O)c1cc(ccc1O)S(=O)(=O)NCc2ccc(C(=O)NC(C(=O)C)CC(=O)O)cc2;CC(=O)[CH](CC(O)=O)NC(=O)c1ccc(CN[S](=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1;CC(=O)C(CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O","InChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1","","2003-01-21","2024-09-27","5-[(4-{[(1S)-1-(carboxymethyl)-2-oxopropyl]carbamoyl}benzyl)sulfamoyl]-2-hydroxybenzoic acid",""],["QNI","6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE","C14 H20 N6","n4c1c(ncnc1N3CCCC2(CCNCC2)C3)nc4;C1CN(CC2(C1)CCNCC2)c3ncnc4[nH]cnc34;c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4","InChI=1S/C14H20N6/c1-2-14(3-5-15-6-4-14)8-20(7-1)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)","","2013-02-20","2014-09-05","2-(9H-purin-6-yl)-2,9-diazaspiro[5.5]undecane","2013-03-06"],["QNJ","(3beta,5beta,14beta,17alpha)-cholestan-3-ol","C27 H48 O","C1C3(C(CC(C1)O)CCC2C4C(CCC23)(C)C(CC4)C(CCCC(C)C)C)C;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1","","2019-11-25","2020-05-29","(3beta,5beta,14beta,17alpha)-cholestan-3-ol","2020-06-03"],["162","(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID","C23 H32 N6 O4","O=C(c2cccn2C(=O)C(NCC(=O)O)CC1CCCCC1)NCc3cc(C(=[N@H])N)n(c3)C;Cn1cc(CNC(=O)c2cccn2C(=O)[CH](CC3CCCCC3)NCC(O)=O)cc1C(N)=N;Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)C(CC3CCCCC3)NCC(=O)O","InChI=1S/C23H32N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8-9,11,14-15,17,26H,2-4,6-7,10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-/m1/s1","","2003-03-18","2011-06-04","N-[(2R)-1-(2-{[(5-carbamimidoyl-1-methyl-1H-pyrrol-3-yl)methyl]carbamoyl}-1H-pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]glycine",""],["163","(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID","C23 H32 N6 O4","O=C(c2cccn2C(=O)C(NCC(=O)O)CC1CCCCC1)NCc3ccc(C(=[N@H])N)n3C;Cn1c(CNC(=O)c2cccn2C(=O)[CH](CC3CCCCC3)NCC(O)=O)ccc1C(N)=N;Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)C(CC3CCCCC3)NCC(=O)O","InChI=1S/C23H32N6O4/c1-28-16(9-10-18(28)21(24)25)13-27-22(32)19-8-5-11-29(19)23(33)17(26-14-20(30)31)12-15-6-3-2-4-7-15/h5,8-11,15,17,26H,2-4,6-7,12-14H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-/m1/s1","","2003-03-19","2011-06-04","N-[(2R)-1-(2-{[(5-carbamimidoyl-1-methyl-1H-pyrrol-2-yl)methyl]carbamoyl}-1H-pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]glycine",""],["QNK","6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine","C26 H32 F2 N6","C[CH]1Cc2c(ccc3n[nH]cc23)[CH](N1CC4(F)CC4)c5ccc(NC6CN(CCCF)C6)cn5;CC1Cc2c(ccc3c2c[nH]n3)C(N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF","InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1","","2020-07-08","2021-01-15","6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine","2021-01-20"],["164","2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID","C11 H12 O6","O=C(C1=CC=CC(O)C1C(=O)O)CCC(=O)O;O[CH]1C=CC=C([CH]1C(O)=O)C(=O)CCC(O)=O;C1=CC(C(C(=C1)C(=O)CCC(=O)O)C(=O)O)O","InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1","","2003-11-19","2011-06-04","(1R,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid",""],["QNL","~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide","C16 H18 N2 O3","CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12;CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O","InChI=1S/C16H18N2O3/c1-10(2)9-21-15-7-12(8-19)18-16-13(15)5-4-6-14(16)17-11(3)20/h4-8,10H,9H2,1-3H3,(H,17,20)","","2018-12-04","2024-08-29","~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide","2019-12-25"],["QNM","2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid","C13 H12 N2 O5","O=C(O)CNC(=O)C=2C(=O)c1c(cccc1)N(C=2O)C;CN1C(=C(C(=O)NCC(O)=O)C(=O)c2ccccc12)O;CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O","InChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,20H,6H2,1H3,(H,14,19)(H,16,17)","","2013-06-03","2014-05-08","N-[(2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]glycine","2013-06-19"],["165","N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE","C28 H35 N5 O4 S2","O=S(=O)(NC(C(=O)N1CCCC1C(=O)Nc2ccc3nc(sc3c2)N)CC4CCCCC4)Cc5ccccc5;Nc1sc2cc(NC(=O)[CH]3CCCN3C(=O)[CH](CC4CCCCC4)N[S](=O)(=O)Cc5ccccc5)ccc2n1;c1ccc(cc1)CS(=O)(=O)NC(CC2CCCCC2)C(=O)N3CCCC3C(=O)Nc4ccc5c(c4)sc(n5)N","InChI=1S/C28H35N5O4S2/c29-28-31-22-14-13-21(17-25(22)38-28)30-26(34)24-12-7-15-33(24)27(35)23(16-19-8-3-1-4-9-19)32-39(36,37)18-20-10-5-2-6-11-20/h2,5-6,10-11,13-14,17,19,23-24,32H,1,3-4,7-9,12,15-16,18H2,(H2,29,31)(H,30,34)/t23-,24+/m1/s1","","2004-02-17","2011-06-04","N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide",""],["QNN","(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one","C8 H13 N O","C[CH]1N2CCC(CC2)C1=O;CC1C(=O)C2CCN1CC2","InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m0/s1","","2020-07-08","2024-09-27","(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one","2021-12-08"],["166","6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID","C22 H26 N2 O4","O=C(O)C(C2c1cc(ccc1CC2O)c3ccc(O)cc3)CCCCC(=[N@H])N;NC(=N)CCCC[CH]([CH]1[CH](O)Cc2ccc(cc12)c3ccc(O)cc3)C(O)=O;c1cc(ccc1c2ccc3c(c2)C(C(C3)O)C(CCCCC(=N)N)C(=O)O)O","InChI=1S/C22H26N2O4/c23-20(24)4-2-1-3-17(22(27)28)21-18-11-14(5-6-15(18)12-19(21)26)13-7-9-16(25)10-8-13/h5-11,17,19,21,25-26H,1-4,12H2,(H3,23,24)(H,27,28)/t17-,19+,21+/m1/s1","GR166081","1999-07-08","2024-09-27","(2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid",""],["QNO","2-NONYL-4-HYDROXYQUINOLINE N-OXIDE","C18 H25 N O2","[O-][n+]2c1ccccc1c(O)cc2CCCCCCCCC;CCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-];CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O","InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,20H,2-8,11H2,1H3","","2003-02-19","2011-06-04","2-nonylquinolin-4-ol 1-oxide",""],["167","6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID","C23 H28 N2 O4","O=C(O)C(C2c1ccc(cc1CC2O)c3cccc(OC)c3)CCCCC(=[N@H])N;COc1cccc(c1)c2ccc3[CH]([CH](O)Cc3c2)[CH](CCCCC(N)=N)C(O)=O;COc1cccc(c1)c2ccc3c(c2)CC(C3C(CCCCC(=N)N)C(=O)O)O","InChI=1S/C23H28N2O4/c1-29-17-6-4-5-14(12-17)15-9-10-18-16(11-15)13-20(26)22(18)19(23(27)28)7-2-3-8-21(24)25/h4-6,9-12,19-20,22,26H,2-3,7-8,13H2,1H3,(H3,24,25)(H,27,28)/t19-,20+,22-/m1/s1","GR167088","1999-07-08","2024-09-27","(2R,7E)-7-amino-2-[(1S,2S)-2-hydroxy-5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid",""],["168","PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID","C18 H32 N2 O7","O=C(NCCC(=O)NCCOC(=O)C)C(O)C(COC(=O)C(C)(C)C)(C)C;CC(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(C)COC(=O)C(C)(C)C;CC(=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COC(=O)C(C)(C)C)O","InChI=1S/C18H32N2O7/c1-12(21)26-10-9-19-13(22)7-8-20-15(24)14(23)18(5,6)11-27-16(25)17(2,3)4/h14,23H,7-11H2,1-6H3,(H,19,22)(H,20,24)/t14-/m0/s1","","2003-03-28","2011-06-04","(3R)-4-[(3-{[2-(acetyloxy)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl 2,2-dimethylpropanoate",""],["QNP","(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate","C26 H51 O8 P","CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O;CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)O","InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1","","2019-11-25","2020-05-29","(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate","2020-06-03"],["169","1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID","C18 H33 N7 O5","O=C(NC(C)(C)C)N1CCN(C(=O)NC(C(=O)O)C(C=O)CCCNC(=[N@H])N)CC1;CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[CH]([CH](CCCNC(N)=N)C=O)C(O)=O;CC(C)(C)NC(=O)N1CCN(CC1)C(=O)NC(C(CCCNC(=N)N)C=O)C(=O)O","InChI=1S/C18H33N7O5/c1-18(2,3)23-17(30)25-9-7-24(8-10-25)16(29)22-13(14(27)28)12(11-26)5-4-6-21-15(19)20/h11-13H,4-10H2,1-3H3,(H,22,29)(H,23,30)(H,27,28)(H4,19,20,21)/t12-,13-/m0/s1","","2004-01-05","2024-09-27","(3R)-N~2~-{[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl}-N~6~-carbamimidoyl-3-formyl-L-lysine",""],["QNQ","4-methylcatechol cysteine","C10 H13 N O4 S","Cc1ccc(O)c(O)c1SC[CH](N)C(O)=O;Cc1ccc(c(c1SCC(C(=O)O)N)O)O","InChI=1S/C10H13NO4S/c1-5-2-3-7(12)8(13)9(5)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1","","2020-07-08","2024-09-27","(2~{R})-2-azanyl-3-[6-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid","2020-12-23"],["QNR","3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine","C11 H9 N3","Nc1nc2[nH]ccc2c3ccccc13;c1ccc2c(c1)c3cc[nH]c3nc2N","InChI=1S/C11H9N3/c12-10-8-4-2-1-3-7(8)9-5-6-13-11(9)14-10/h1-6H,(H3,12,13,14)","","2022-11-09","2022-11-11","3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine","2022-11-16"],["16A","CETYL-TRIMETHYL-AMMONIUM","C19 H42 N","C(CCCC[N+](C)(C)C)CCCCCCCCCCC;CCCCCCCCCCCCCCCC[N+](C)(C)C;CCCCCCCCCCCCCCCC[N+](C)(C)C","InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1","","2002-01-04","2011-06-04","N,N,N-trimethylhexadecan-1-aminium",""],["QNS","N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide","C25 H25 Cl N2 O5","COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3Cl;COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4","InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30)","","2015-08-24","2016-01-08","N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide","2016-01-13"],["16B","N-hydroxycytidine 5'-(dihydrogen phosphate)","C9 H14 N3 O9 P","O=P(O)(O)OCC1OC(N2C=CC(=NC2=O)NO)C(O)C1O;ONC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1NO)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O9P/c13-6-4(3-20-22(17,18)19)21-8(7(6)14)12-2-1-5(11-16)10-9(12)15/h1-2,4,6-8,13-14,16H,3H2,(H,10,11,15)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1","","2012-10-18","2021-08-11","N-hydroxycytidine 5'-(dihydrogen phosphate)","2012-11-09"],["QNT","3,6-dimethylcatechol cysteine","C11 H15 N O4 S","Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O;Cc1cc(c(c(c1O)O)C)SCC(C(=O)O)N","InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1","","2020-07-08","2024-09-27","(2~{R})-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid","2020-12-23"],["16C","N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE","C34 H67 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1","C16-CERAMIDE; N-PALMITOYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-PALMITOYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-PALMITOYLAMINO-1,3-OCTADEC-4-ENEDIOL","2005-11-28","2020-05-26","N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexadecanamide",""],["16D","HEXANE-1,6-DIAMINE","C6 H16 N2","NCCCCCCN;NCCCCCCN;C(CCCN)CCN","InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2","1,6-DIAMINOHEXANE","2004-08-18","2020-06-17","hexane-1,6-diamine",""],["QNU","(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C19 H16 Cl N3 O","Clc1ccc2CNCC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CNC[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl","InChI=1S/C19H16ClN3O/c20-14-6-5-13-9-21-10-17(16(13)7-14)19(24)23-18-11-22-8-12-3-1-2-4-15(12)18/h1-8,11,17,21H,9-10H2,(H,23,24)/t17-/m1/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["QNV","(1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H16 N2 O6","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4NC(=O)COc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O","InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["16E","N-(16-Carboxyhexadecanoyl)-L-glutamic acid","C21 H37 N O7","O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC(=O)O;OC(=O)CCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O;C(CCCCCCCC(=O)O)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H37NO7/c23-18(22-17(21(28)29)15-16-20(26)27)13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)25/h17H,1-16H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1","","2012-02-20","2024-09-27","N-(15-carboxypentadecanoyl)-L-glutamic acid","2013-01-04"],["16F","N-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H19 N3 O6 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2cccc(O)c2;OC[CH]1O[CH](NC(=S)NN=Cc2cccc(O)c2)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)O)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-2-1-3-8(19)4-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1","3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-04-30","2020-07-17","N-{[(2Z)-2-(3-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QNW","3-methylcatechol cysteine","C10 H13 N O4 S","Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O;Cc1ccc(c(c1O)O)SCC(C(=O)O)N","InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1","","2020-07-08","2024-09-27","(2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid","2020-12-23"],["QNX","[(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate","C14 H22 N4 O9 P2","Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(Cc2c[nH]cn2)COP(=O)(O)O)O","InChI=1S/C14H22N4O9P2/c1-9-14(19)13(10(3-16-9)6-26-28(20,21)22)5-17-12(7-27-29(23,24)25)2-11-4-15-8-18-11/h3-4,8,12,17,19H,2,5-7H2,1H3,(H,15,18)(H2,20,21,22)(H2,23,24,25)/t12-/m0/s1","","2022-11-09","2024-09-27","[(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate","2023-03-22"],["16G","2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose","C8 H16 N O9 P","O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1","N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE; N-acetyl-6-O-phosphono-alpha-D-glucosamine;\n2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucose; 2-acetamido-2-deoxy-6-O-phosphono-D-glucose;\n2-acetamido-2-deoxy-6-O-phosphono-glucose","2000-09-13","2020-07-17","2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose",""],["16H","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide","C26 H45 N O3","O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1;CCCCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO","InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(30)27-24(22-28)21-25(29)23-18-15-14-16-19-23/h14-16,18-19,24-25,28-29H,2-13,17,20-22H2,1H3,(H,27,30)/t24-,25-/m1/s1","","2009-04-22","2011-06-04","N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide",""],["QNY","O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine","C8 H16 N2 O7","O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C;C[CH](OC(O)(O)C[CH](N)C(O)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC(CC(C(=O)O)N)(O)O","InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1","","2019-11-26","2024-09-27","O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine","2020-05-20"],["QNZ","(E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid","C24 H15 N3 O3","O=C(O)c1cc(ccc1)N3C(=Nc2c(cccc2)C3=O)C=Cc4ccc(C#N)cc4;OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#N;c1ccc2c(c1)C(=O)N(C(=N2)C=Cc3ccc(cc3)C#N)c4cccc(c4)C(=O)O","InChI=1S/C24H15N3O3/c25-15-17-10-8-16(9-11-17)12-13-22-26-21-7-2-1-6-20(21)23(28)27(22)19-5-3-4-18(14-19)24(29)30/h1-14H,(H,29,30)/b13-12+","","2013-12-21","2015-02-06","3-{2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid","2015-02-11"],["16I","N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE","C19 H13 N3 O2 S","O=C(Nc3ccc(C2=Nc1ccccc1C(=O)N2)cc3)c4sccc4;O=C(Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2)c4sccc4;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4","InChI=1S/C19H13N3O2S/c23-18-14-4-1-2-5-15(14)21-17(22-18)12-7-9-13(10-8-12)20-19(24)16-6-3-11-25-16/h1-11H,(H,20,24)(H,21,22,23)","","2013-06-24","2014-09-05","N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide","2013-10-30"],["16J","[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone","C15 H20 Cl N3 O2","O=C(N2CCN(c1ccc(Cl)cc1)CC2)N3CCOCC3;Clc1ccc(cc1)N2CCN(CC2)C(=O)N3CCOCC3;c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl","InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","","2012-10-19","2013-11-08","[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone","2013-11-13"],["QO0","(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H16 Cl2 N2 O3","Clc1cc2c(cc1Cl)OCCC2(OC)C(=O)Nc1cncc2ccccc21;CO[C]1(CCOc2cc(Cl)c(Cl)cc12)C(=O)Nc3cncc4ccccc34;COC1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H16Cl2N2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1","","2023-08-18","2023-11-03","(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QO1","4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid","C34 H35 F N2 O11 S","c1(ccc(cc1)C(CCC4C(c2ccc(cc2)OC3C(C(C(C(C(=O)O)O3)O)O)O)N(C4=O)c5ccc(cc5)C#CCNS(C)(=O)=O)O)F;C[S](=O)(=O)NCC#Cc1ccc(cc1)N2[CH]([CH](CC[CH](O)c3ccc(F)cc3)C2=O)c4ccc(O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O)cc4;CS(=O)(=O)NCC#Cc1ccc(cc1)N2C(C(C2=O)CCC(c3ccc(cc3)F)O)c4ccc(cc4)OC5C(C(C(C(O5)C(=O)O)O)O)O","InChI=1S/C34H35FN2O11S/c1-49(45,46)36-18-2-3-19-4-12-23(13-5-19)37-27(25(32(37)42)16-17-26(38)20-6-10-22(35)11-7-20)21-8-14-24(15-9-21)47-34-30(41)28(39)29(40)31(48-34)33(43)44/h4-15,25-31,34,36,38-41H,16-18H2,1H3,(H,43,44)/t25-,26+,27-,28+,29+,30-,31+,34-/m1/s1","","2019-11-26","2020-06-26","4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid","2020-07-01"],["16K","4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine","C15 H13 N5 O2 S","[O-][N+](=O)c1cccc(c1)Nc3nc(c2sc(nc2C)C)ccn3;Cc1sc(c(C)n1)c2ccnc(Nc3cccc(c3)[N+]([O-])=O)n2;Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]","InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)","","2011-04-05","2013-04-26","4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine","2013-05-01"],["16L","N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide","C19 H19 N O2","O=C(C=C)Nc1cccc(c1)C=Cc2cc(c(O)c(c2)C)C;Cc1cc(C=Cc2cccc(NC(=O)C=C)c2)cc(C)c1O;Cc1cc(cc(c1O)C)C=Cc2cccc(c2)NC(=O)C=C","InChI=1S/C19H19NO2/c1-4-18(21)20-17-7-5-6-15(12-17)8-9-16-10-13(2)19(22)14(3)11-16/h4-12,22H,1H2,2-3H3,(H,20,21)/b9-8+","","2012-10-21","2013-11-29","N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide","2013-12-04"],["QO2","4,5-dimethylcatechol cysteine","C11 H15 N O4 S","Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C;Cc1cc(c(c(c1C)SCC(C(=O)O)N)O)O","InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1","","2020-07-08","2024-09-27","(2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid","2020-12-23"],["QO3","(1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H21 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc(NCC2CC2)cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NCC4CC4)nc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NCC4CC4)C(=O)O","InChI=1S/C20H21N3O4/c24-16-3-1-2-13-14(16)8-15(20(26)27)18(13)23-19(25)12-6-7-17(22-10-12)21-9-11-4-5-11/h1-3,6-7,10-11,15,18,24H,4-5,8-9H2,(H,21,22)(H,23,25)(H,26,27)/t15-,18+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["16M","(ethylsulfanyl)benzene","C8 H10 S","ethyl phenyl sulfide;CCSc1ccccc1;CCSc1ccccc1","InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3","ethy lphenyl sulfide","2012-10-22","2021-02-02","(ethylsulfanyl)benzene","2013-10-30"],["QO4","5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one","C20 H23 F6 N7 O3","C(CC(=O)N1CCN(CC1)c2ncc(C(F)(F)F)cn2)OCC(C)NC3=C(C(=O)NN=C3)C(F)(F)F;C[CH](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F;CC(COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F","InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1","RBN-2397","2019-11-27","2021-03-01","5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one","2020-12-16"],["16N","2,3-dihydro-1H-indene","C9 H10","c1cccc2c1CCC2;C1Cc2ccccc2C1;c1ccc2c(c1)CCC2","InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2","indan","2012-10-22","2021-03-01","2,3-dihydro-1H-indene","2013-10-30"],["QO5","3,5-dimethylcatechol cysteine","C11 H15 N O4 S","Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O;Cc1cc(c(c(c1O)O)SCC(C(=O)O)N)C","InChI=1S/C11H15NO4S/c1-5-3-6(2)10(9(14)8(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1","","2020-07-08","2024-09-27","(2~{R})-2-azanyl-3-[4,6-dimethyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid","2020-12-23"],["16O","N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 Br N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(Br)cc2;OC[CH]1O[CH](NC(=S)NN=Cc2ccc(Br)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)Br","InChI=1S/C14H18BrN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1","4-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2E)-2-(4-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["16P","3,6,9,12,15,18-HEXAOXAICOSANE","C14 H30 O6","O(CCOCC)CCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCCOCC","InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3","","2007-06-01","2011-06-04","3,6,9,12,15,18-hexaoxaicosane",""],["QO6","N-(2,3-dihydro-1H-inden-5-yl)acetamide","C11 H13 N O","CC(=O)Nc1ccc2CCCc2c1;CC(=O)Nc1ccc2c(c1)CCC2","InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)","~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide","2022-11-09","2022-11-18","~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide","2022-11-23"],["16Q","ethoxybenzene","C8 H10 O","ethyl phenyl ether;CCOc1ccccc1;CCOc1ccccc1","InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3","","2012-10-22","2013-10-25","ethoxybenzene","2013-10-30"],["QO7","5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide","C17 H15 Br F2 N4 O3","c1(ccc(cc1F)Br)Nc2c(C(NOCCO)=O)cc3c(c2F)ncn3C;Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO;Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO","InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)","","2019-12-02","2021-03-12","5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide","2020-12-02"],["16R","(methylsulfanyl)benzene","C7 H8 S","CSc1ccccc1;CSc1ccccc1;CSc1ccccc1","InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3","methyl phenyl sulfide","2012-10-22","2021-03-01","(methylsulfanyl)benzene","2013-10-30"],["QO8","3,4-dimethylcatechol cysteine","C11 H17 N O4 S","Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C;Cc1cc(c(c(c1C)O)O)SCC(C(O)O)N","InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1","","2020-07-08","2024-09-27","6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol","2020-12-23"],["QO9","1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","C24 H43 N3 O8 S Si2","O=C1C(=CN(C(=O)N1)C3OC(C2(OS(=O)(=O)C=C2N)C3O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C)C;CC1=CN([CH]2O[CH](CO[Si](C)(C)C(C)(C)C)[C]3(O[S](=O)(=O)C=C3N)[CH]2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C","InChI=1S/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1","","2011-02-15","2011-06-04","1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione",""],["16S","2-(3,4-dihydroxyphenyl)-4H-chromen-4-one","C15 H10 O4","O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cccc3;Oc1ccc(cc1O)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O","InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H","3',4'-Dihydroxyflavone","2012-10-22","2020-06-17","2-(3,4-dihydroxyphenyl)-4H-chromen-4-one","2012-10-26"],["16T","1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","C22 H22 Cl N3 O6 S","O=S(=O)(c2cc(Oc1cccc(Cl)c1)c(O)cc2)N4CCCC(N3C=C(C(=O)NC3=O)C)C4;CC1=CN([CH]2CCCN(C2)[S](=O)(=O)c3ccc(O)c(Oc4cccc(Cl)c4)c3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O","InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1","","2012-10-23","2012-10-26","1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione","2012-10-26"],["QOA","N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide","C15 H15 F I N3 O3","c2(Nc1ccc(cc1F)I)c(C(=O)NCC(O)CO)ccnc2;OC[CH](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F;c1cc(c(cc1I)F)Nc2cnccc2C(=O)NCC(CO)O","InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1","","2019-12-02","2021-03-12","N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide","2020-12-02"],["QOB","~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide","C26 H40 N4 O6","C[CH](O)[CH](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O;CC1CCC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)CCCCc2ccccc2)O","InChI=1S/C26H40N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21,24,31-32H,6-7,10-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t17-,18+,20-,21-,24-/m0/s1","Syrbactin inhibitor; HB334","2020-07-09","2024-09-27","~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide","2021-05-19"],["16U","N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide","C18 H25 Cl N2 O2","O=C(NCc1cccc(Cl)c1)C2N(C(=O)CCC(C)C)CCC2;CC(C)CCC(=O)N1CCC[CH]1C(=O)NCc2cccc(Cl)c2;CC(C)CCC(=O)N1CCCC1C(=O)NCc2cccc(c2)Cl","InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1","","2008-07-16","2011-06-04","N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide",""],["16V","3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid","C15 H17 F N2 O3","O=C(O)c2cc(OCCCc1c(nnc1C)C)c(F)cc2;Cc1[nH]nc(C)c1CCCOc2cc(ccc2F)C(O)=O;Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O","InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)","","2012-10-24","2013-05-31","3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid","2013-06-05"],["QOC","(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one","C20 H16 Cl2 N2 O","Clc1ccc(cc1Cl)C1CCCN(c2cncc3ccccc23)C1=O;Clc1ccc(cc1Cl)[CH]2CCCN(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(c(c4)Cl)Cl","InChI=1S/C20H16Cl2N2O/c21-17-8-7-13(10-18(17)22)16-6-3-9-24(20(16)25)19-12-23-11-14-4-1-2-5-15(14)19/h1-2,4-5,7-8,10-12,16H,3,6,9H2/t16-/m1/s1","","2023-08-18","2023-11-03","(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one","2023-11-08"],["QOD","(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide","C40 H79 N O9","C(C(NC(=O)CC(CCCCCCCCCCCCCC)O)C(CCCCCCCCCCCC(C)C)O)OC1OC(C(C(C1O)O)O)CO;CCCCCCCCCCCCCC[CH](O)CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCC(C)C;CCCCCCCCCCCCCCC(CC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCCCCCCC(C)C)O)O","InChI=1S/C40H79NO9/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-32(43)28-36(45)41-33(30-49-40-39(48)38(47)37(46)35(29-42)50-40)34(44)27-24-21-18-15-12-13-16-19-22-25-31(2)3/h31-35,37-40,42-44,46-48H,4-30H2,1-3H3,(H,41,45)/t32-,33+,34-,35-,37+,38+,39-,40+/m1/s1","","2019-12-02","2021-11-05","(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide","2021-11-10"],["16W","3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H18 Cl N5 O2","Clc4cccc(OCc1nn(c2ncnc(N)c12)C3CCOCC3)c4;Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C4CCOCC4;c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N","InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)","","2012-10-24","2012-11-09","3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2012-11-09"],["16X","4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine","C14 H12 N6 O2 S","n2c(c1sc(nc1C)N)ccnc2Nc4cccc(N3OO3)c4;Cc1nc(N)sc1c2ccnc(Nc3cccc(c3)n4oo4)n2;Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4","InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20-21-22-20/h2-7H,1H3,(H2,15,17)(H,16,18,19)","","2010-01-29","2011-06-04","4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine",""],["QOE","(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide","C24 H36 N4 O6","C[CH](O)[CH](NC(=O)CCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O;CC1CCC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)CCc2ccccc2)O","InChI=1S/C24H36N4O6/c1-15-8-10-20(31)25-13-12-18(30)14-19(23(33)26-15)27-24(34)22(16(2)29)28-21(32)11-9-17-6-4-3-5-7-17/h3-7,15-16,18-19,22,29-30H,8-14H2,1-2H3,(H,25,31)(H,26,33)(H,27,34)(H,28,32)/t15-,16+,18-,19-,22-/m0/s1","HB335","2020-07-09","2024-09-27","(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide","2021-05-19"],["16Y","16-hydroxyhexadecanoic acid","C16 H32 O3","O=C(O)CCCCCCCCCCCCCCCO;OCCCCCCCCCCCCCCCC(O)=O;C(CCCCCCCC(=O)O)CCCCCCCO","InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)","","2012-08-22","2012-08-31","16-hydroxyhexadecanoic acid","2012-08-31"],["QOF","(1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H21 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc(NCC2CC2)cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NCC4CC4)nc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NCC4CC4)C(=O)O","InChI=1S/C20H21N3O4/c24-16-3-1-2-13-14(16)8-15(20(26)27)18(13)23-19(25)12-6-7-17(22-10-12)21-9-11-4-5-11/h1-3,6-7,10-11,15,18,24H,4-5,8-9H2,(H,21,22)(H,23,25)(H,26,27)/t15-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["16Z","(2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol","C13 H19 N O3","OC2C(c1ccc(OC)cc1)N(C)C(C)C2O;COc1ccc(cc1)[CH]2[CH](O)[CH](O)[CH](C)N2C;CC1C(C(C(N1C)c2ccc(cc2)OC)O)O","InChI=1S/C13H19NO3/c1-8-12(15)13(16)11(14(8)2)9-4-6-10(17-3)7-5-9/h4-8,11-13,15-16H,1-3H3/t8-,11-,12+,13-/m0/s1","4-epi-(+)-Codonopsinine","2013-03-08","2021-03-01","(2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol","2013-09-18"],["QOG","5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide","C6 H11 N5 O3 S2","C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1;CC(C)NC(=O)Nc1sc(nn1)[S](N)(=O)=O;CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N","InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12)","","2019-12-02","2020-12-04","5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide","2020-12-09"],["170","(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE","C21 H17 Cl2 F2 N9 O3","[O-][n+]1ccccc1C(F)(F)CNC2=NC=C(Cl)N(C2=O)CC(=O)NCc3cc(Cl)ccc3n4nnnc4;[O-][n+]1ccccc1C(F)(F)CNC2=NC=C(Cl)N(CC(=O)NCc3cc(Cl)ccc3n4cnnn4)C2=O;c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-]","InChI=1S/C21H17Cl2F2N9O3/c22-14-4-5-15(33-12-29-30-31-33)13(7-14)8-26-18(35)10-32-17(23)9-27-19(20(32)36)28-11-21(24,25)16-3-1-2-6-34(16)37/h1-7,9,12H,8,10-11H2,(H,26,35)(H,27,28)","","2004-03-19","2011-06-04","2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide",""],["QOH","11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide","C28 H52 N4 O6","CC(C)CCCCCCCCCC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O;CC1CCC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)CCCCCCCCCC(C)C)O","InChI=1S/C28H52N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h19-23,26,33-34H,5-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/t20-,21+,22-,23-,26-/m0/s1","Syrbactin inhibitor; HB333","2020-07-09","2024-09-27","11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide","2021-05-19"],["171","2-PHENYLAMINO-ETHANESULFONIC ACID","C8 H11 N O3 S","O=S(=O)(O)CCNc1ccccc1;O[S](=O)(=O)CCNc1ccccc1;c1ccc(cc1)NCCS(=O)(=O)O","InChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)","","2004-04-05","2011-06-04","2-(phenylamino)ethanesulfonic acid",""],["QOI","1,3,8-tris(oxidanyl)anthracene-9,10-dione","C14 H8 O5","Oc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1;c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O","InChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)14(19)11-7(13(8)18)2-1-3-9(11)16/h1-5,15-17H","","2022-11-10","2023-03-03","1,3,8-tris(oxidanyl)anthracene-9,10-dione","2023-03-08"],["QOJ","4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)","C34 H44 N4","Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12;Nc1c2CCCc2[n+](CCCCCCCCCC[n+]3c4CCCc4c(N)c5ccccc35)c6ccccc16;c1ccc2c(c1)c(c3c([n+]2CCCCCCCCCC[n+]4c5ccccc5c(c6c4CCC6)N)CCC3)N","InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2","","2019-12-03","2024-05-08","4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)","2020-04-01"],["172","2-AMINO-5-HYDROXY-BENZIMIDAZOLE","C7 H7 N3 O","Oc2ccc1c(nc(n1)N)c2;Nc1[nH]c2ccc(O)cc2n1;c1cc2c(cc1O)nc([nH]2)N","InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)","","2000-09-26","2011-06-04","2-amino-1H-benzimidazol-5-ol",""],["QOK","7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione","C11 H16 N4 O4","COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12;CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C","InChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3","","2020-07-13","2024-09-27","7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione","2020-12-16"],["173","BENZOYL-FORMIC ACID","C8 H6 O3","O=C(C(=O)O)c1ccccc1;OC(=O)C(=O)c1ccccc1;c1ccc(cc1)C(=O)C(=O)O","InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)","OXO(PHENYL)ACETIC ACID","2004-04-09","2021-03-01","oxo(phenyl)acetic acid",""],["QOL","8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde","C14 H16 N2 O5","Nc1cccc2c(OCC(CO)CO)cc(nc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(CO)CO","InChI=1S/C14H16N2O5/c15-10-3-1-2-9-12(21-7-8(5-17)6-18)4-11(14(19)20)16-13(9)10/h1-4,8,17-18H,5-7,15H2,(H,19,20)","","2016-06-03","2025-05-19","8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carboxylic acid","2017-06-21"],["174","4-CHLORO-BENZOIC ACID","C7 H5 Cl O2","O=C(O)c1ccc(Cl)cc1;OC(=O)c1ccc(Cl)cc1;c1cc(ccc1C(=O)O)Cl","InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)","","2004-05-07","2011-06-04","4-chlorobenzoic acid",""],["175","3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON","C8 H16 N4 O3","O=C1N(CC(=O)O)C(NC1CN)C(N)C;C[CH](N)[CH]1N[CH](CN)C(=O)N1CC(O)=O;CC(C1NC(C(=O)N1CC(=O)O)CN)N","InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1","","2004-05-23","2024-09-27","[(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid",""],["QOM","Trametinib","C26 H23 F I N5 O4","c1c(ccc(c1F)NC2=C3C(=C(C)C(N2C)=O)N(C(N(C3=O)C4CC4)=O)c5cccc(c5)NC(=O)C)I;CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(C)=O)c5)C;CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5","InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)","N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide","2019-12-03","2021-03-13","N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide","2020-09-30"],["QON","N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide","C14 H18 Cl N3 O3","ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3;c1c(onc1C(=O)NC2CCN(CC2)C(=O)CCl)C3CC3","InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)","~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide","2020-07-13","2024-09-27","~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide","2022-07-27"],["176","1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE","C27 H27 Cl2 N3 O2","O=C(NCc1cc(Cl)ccc1Cl)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4;N[CH](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[CH]3C(=O)NCc4cc(Cl)ccc4Cl;c1ccc(cc1)C(c2ccccc2)C(C(=O)N3CCCC3C(=O)NCc4cc(ccc4Cl)Cl)N","InChI=1S/C27H27Cl2N3O2/c28-21-13-14-22(29)20(16-21)17-31-26(33)23-12-7-15-32(23)27(34)25(30)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,23-25H,7,12,15,17,30H2,(H,31,33)/t23-,25+/m0/s1","","2004-05-25","2011-06-04","beta-phenyl-D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide",""],["QOO","2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide","C23 H25 Cl N4 O3 S","O=S(=O)(CC)N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1;CC[S](=O)(=O)N1CCN(CC1)c2cc(Cl)cc(CC(=O)Nc3cncc4ccccc34)c2;CCS(=O)(=O)N1CCN(CC1)c2cc(cc(c2)Cl)CC(=O)Nc3cncc4c3cccc4","InChI=1S/C23H25ClN4O3S/c1-2-32(30,31)28-9-7-27(8-10-28)20-12-17(11-19(24)14-20)13-23(29)26-22-16-25-15-18-5-3-4-6-21(18)22/h3-6,11-12,14-16H,2,7-10,13H2,1H3,(H,26,29)","","2023-08-18","2023-11-03","2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["177","1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE","C24 H35 Cl N4 O4","O=C(NCc1cc(Cl)ccc1OCC(=O)NCC)C3N(C(=O)C(N)C2CCCCC2)CCC3;CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](N)C3CCCCC3;CCNC(=O)COc1ccc(cc1CNC(=O)C2CCCN2C(=O)C(C3CCCCC3)N)Cl","InChI=1S/C24H35ClN4O4/c1-2-27-21(30)15-33-20-11-10-18(25)13-17(20)14-28-23(31)19-9-6-12-29(19)24(32)22(26)16-7-4-3-5-8-16/h10-11,13,16,19,22H,2-9,12,14-15,26H2,1H3,(H,27,30)(H,28,31)/t19-,22+/m0/s1","","2004-05-25","2011-06-04","1-[(2R)-2-amino-2-cyclohexylacetyl]-N-{5-chloro-2-[2-(ethylamino)-2-oxoethoxy]benzyl}-L-prolinamide",""],["QOP","6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide","C17 H12 Cl2 F3 N7 O2 S","c3(C(NC(c1ncnc(c1Cl)N)=O)C)ncc(C(Nc2cc(C(F)(F)F)c(cn2)Cl)=O)s3;C[CH](NC(=O)c1ncnc(N)c1Cl)c2sc(cn2)C(=O)Nc3cc(c(Cl)cn3)C(F)(F)F;CC(c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl","InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1","tovorafenib","2019-12-03","2023-04-04","6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide","2020-12-02"],["178","4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL","C18 H22 O2 S","S(c1ccc(O)c(c1)C(C)C)c2cc(c(O)cc2)C(C)C;CC(C)c1cc(Sc2ccc(O)c(c2)C(C)C)ccc1O;CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O","InChI=1S/C18H22O2S/c1-11(2)15-9-13(5-7-17(15)19)21-14-6-8-18(20)16(10-14)12(3)4/h5-12,19-20H,1-4H3","","2004-07-02","2011-06-04","4,4'-sulfanediylbis[2-(1-methylethyl)phenol]",""],["179","N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine","C18 H20 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc3cc2ccccc2cc3;OC[CH]1O[CH](NC(=O)C(=O)Nc2ccc3ccccc3c2)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)NC(=O)C(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)18(27-12)20-17(26)16(25)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,18,21-24H,8H2,(H,19,25)(H,20,26)/t12-,13-,14+,15-,18-/m1/s1","","2008-04-22","2011-06-04","N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine",""],["QOQ","5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine","C18 H19 Cl F2 N6","Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1;Cc1cc(cc(n1)Cl)CN2CCCC(C2)c3cc(nc4n3ncn4)C(F)F","InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1","","2020-07-13","2020-10-30","5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine","2020-11-04"],["QOR","(1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H22 N4 O5","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3cnc(NC4CCOCC4)cn3;c1cc2c(c(c1)O)CC(C2NC(=O)c3cnc(cn3)NC4CCOCC4)C(=O)O","InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["17A","(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID","C26 H31 N2 O6 P S","O=S(=O)(c2ccc(c1ccccc1)cc2)NC(C(C)C)P(=O)(O)CC(c3cccc(c3)CN)C(=O)O;CC(C)[CH](N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(=O)C[CH](C(O)=O)c3cccc(CN)c3;CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccccc2)P(=O)(CC(c3cccc(c3)CN)C(=O)O)O","InChI=1S/C26H31N2O6PS/c1-18(2)25(35(31,32)17-24(26(29)30)22-10-6-7-19(15-22)16-27)28-36(33,34)23-13-11-21(12-14-23)20-8-4-3-5-9-20/h3-15,18,24-25,28H,16-17,27H2,1-2H3,(H,29,30)(H,31,32)/t24-,25+/m0/s1","","2007-04-26","2011-06-04","(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-{(1R)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid",""],["QOS","3,5-dimethylpyrazin-2(1H)-one","C6 H8 N2 O","C1=C(N=C(C)C(N1)=O)C;CC1=CNC(=O)C(=N1)C;CC1=CNC(=O)C(=N1)C","InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)","","2019-12-03","2020-01-24","3,5-dimethylpyrazin-2(1H)-one","2020-01-29"],["17B","(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol","C10 H21 N3 O4","OC1C(O)C(O)C(=N/CCCCN)/NC1CO;NCCCCN=C1N[CH](CO)[CH](O)[CH](O)[CH]1O;C(CCN=C1C(C(C(C(N1)CO)O)O)O)CN","InChI=1S/C10H21N3O4/c11-3-1-2-4-12-10-9(17)8(16)7(15)6(5-14)13-10/h6-9,14-17H,1-5,11H2,(H,12,13)/t6-,7-,8+,9+/m1/s1","","2008-03-25","2011-06-04","(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol",""],["QOT","3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione","C16 H12 O5","COc1cc(O)c2C(=O)c3c(OC)cccc3C(=O)c2c1;COc1cccc2c1C(=O)c3c(cc(cc3O)OC)C2=O","InChI=1S/C16H12O5/c1-20-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)21-2/h3-7,17H,1-2H3","","2022-11-10","2023-03-03","3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione","2023-03-08"],["17C","2,2'-iminodibenzoic acid","C14 H11 N O4","O=C(O)c2c(Nc1ccccc1C(=O)O)cccc2;OC(=O)c1ccccc1Nc2ccccc2C(O)=O;c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O","InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)","","2011-02-18","2012-08-17","2,2'-iminodibenzoic acid",""],["17D","2-benzylbenzoic acid","C14 H12 O2","O=C(O)c1ccccc1Cc2ccccc2;OC(=O)c1ccccc1Cc2ccccc2;c1ccc(cc1)Cc2ccccc2C(=O)O","InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)","","2011-02-22","2012-08-17","2-benzylbenzoic acid",""],["QOU","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C22 H22 Cl N3 O2","Clc1ccc2NCCC(CCOC)(c2c1)C(=O)Nc1cncc2ccccc21;COCC[C]1(CCNc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;COCCC1(CCNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C22H22ClN3O2/c1-28-11-9-22(8-10-25-19-7-6-16(23)12-18(19)22)21(27)26-20-14-24-13-15-4-2-3-5-17(15)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27)/t22-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["QOV","5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide","C14 H13 Cl N4 O3 S","n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3)(=O)=O;COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3nc(C)nc23;Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl","InChI=1S/C14H13ClN4O3S/c1-9-16-14-11(4-3-7-19(14)17-9)18-23(20,21)13-8-10(15)5-6-12(13)22-2/h3-8,18H,1-2H3","","2019-12-05","2021-12-03","5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide","2021-12-08"],["17E","5-methylcytosine","C5 H7 N3 O","O=C1N=C(N)C(=CN1)C;CC1=CNC(=O)N=C1N;CC1=CNC(=O)N=C1N","InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)","4-amino-5-methylpyrimidin-2(1H)-one","2013-03-18","2020-06-17","4-amino-5-methylpyrimidin-2(1H)-one","2014-09-17"],["17F","O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine","C42 H78 N O10 P","O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1","1,2-Dioleoyl-sn-glycero-3-phospho-L-serine","2013-03-20","2021-03-13","O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine","2013-06-26"],["QOX","1-oxo-1lambda~5~-quinoline","C9 H7 N O","[O-][n+]1cccc2ccccc21;[O-][n+]1cccc2ccccc12;c1ccc2c(c1)ccc[n+]2[O-]","InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H","","2022-09-14","2023-09-29","1-oxo-1lambda~5~-quinoline","2023-10-04"],["QOY","5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide","C13 H11 Cl N4 O3 S","n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)=O;COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23;COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl","InChI=1S/C13H11ClN4O3S/c1-21-11-5-4-9(14)7-12(11)22(19,20)17-10-3-2-6-18-13(10)15-8-16-18/h2-8,17H,1H3","","2019-12-05","2021-12-03","5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide","2021-12-08"],["17G","9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one","C24 H15 F3 N4 O","FC(F)(F)c1cc(ccc1)N5C(=O)C=Cc4cnc3ccc(c2ccc(nc2)N)cc3c45;Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2;c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F","InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)","","2013-03-25","2013-05-03","9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one","2013-05-08"],["17H","17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE","C21 H28 O2","O=C4C=C3C(=C2C=CC1(C(CCC1(O)CC)C2CC3)CC)CC4;CC[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3C=C[C]12CC;CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O","InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1","","2005-09-14","2011-06-04","(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",""],["QOZ","2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide","C25 H28 N4 O3 S","N[S](=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1;c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C25H28N4O3S/c26-33(31,32)23-13-11-22(12-14-23)27-24(30)19-28-15-17-29(18-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,27,30)(H2,26,31,32)","","2020-07-13","2021-06-11","2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide","2021-06-16"],["QP0","(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H17 Cl N2 O2","Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21;C[CH]1COc2ccc(Cl)cc2[CH]1C(=O)Nc3cncc4ccccc34;CC1COc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19+/m0/s1","","2023-08-18","2023-11-03","(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["17I","N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea","C13 H20 N4 O","O=C(Nc1c(cccc1CC)CC)NC(=N)NC;CCc1cccc(CC)c1NC(=O)NC(=N)NC;CCc1cccc(c1NC(=O)NC(=N)NC)CC","InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18)","","2021-06-21","2022-01-28","N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea","2022-02-02"],["QP1","N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide","C27 H28 F N5 O3 S","c1c(ccc(c1)F)c4c(c3cc(Nc2cc(ccc2OC)NC(CC)=O)ncc3)nc(SCCOC)n4;CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH]c(SCCOC)nc3c4ccc(F)cc4)c1;CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC","InChI=1S/C27H28FN5O3S/c1-4-24(34)30-20-9-10-22(36-3)21(16-20)31-23-15-18(11-12-29-23)26-25(17-5-7-19(28)8-6-17)32-27(33-26)37-14-13-35-2/h5-12,15-16H,4,13-14H2,1-3H3,(H,29,31)(H,30,34)(H,32,33)","","2019-12-05","2024-09-27","N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide","2020-04-22"],["17J","4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide","C18 H18 N6 O S","O=C(Nc1cccnc1)N4CCN(c2nc(ns2)c3ccccc3)CC4;O=C(Nc1cccnc1)N2CCN(CC2)c3snc(n3)c4ccccc4;c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4","InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)","","2012-10-25","2024-09-27","4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide","2013-02-01"],["QP2","(4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","C16 H28 N4 O7 S","C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CNC(N)(O)O)C2)[CH]1C)C(O)=O)C(O)=O;CC1C(NC(=C1SC2CC(NC2)CNC(N)(O)O)C(=O)O)C(C(C)O)C(=O)O","InChI=1S/C16H28N4O7S/c1-6-11(10(7(2)21)14(22)23)20-12(15(24)25)13(6)28-9-3-8(18-5-9)4-19-16(17,26)27/h6-11,18-21,26-27H,3-5,17H2,1-2H3,(H,22,23)(H,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1","hydrolyzed doripenem","2020-07-14","2021-07-16","(4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","2021-07-21"],["17K","(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine","C22 H22 N2 O7 S","O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)Cc3ccccc3;C[C](COC(=O)Cc1ccccc1)([CH](Nc2n3ccccc3cc2C=O)C(O)=O)[S](O)=O;CC(COC(=O)Cc1ccccc1)(C(C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O","InChI=1S/C22H22N2O7S/c1-22(32(29)30,14-31-18(26)11-15-7-3-2-4-8-15)19(21(27)28)23-20-16(13-25)12-17-9-5-6-10-24(17)20/h2-10,12-13,19,23H,11,14H2,1H3,(H,27,28)(H,29,30)/t19-,22-/m0/s1","penam sulfone SA1-204, open form","2012-10-26","2024-09-27","(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine","2013-07-31"],["17L","(9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide","C30 H27 N O8","O=C(NCc2c1ccccc1cc(OCC)c2)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C;CCOc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC4=CC(=C(C(C)=O)C(=O)[C]34C)O)c5ccccc5c1;CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=O)C)O)O)OC","InChI=1S/C30H27NO8/c1-5-38-18-10-16-8-6-7-9-19(16)17(11-18)14-31-29(36)25-22(37-4)12-21(34)26-27(25)39-23-13-20(33)24(15(2)32)28(35)30(23,26)3/h6-13,33-34H,5,14H2,1-4H3,(H,31,36)/t30-/m1/s1","","2012-01-17","2012-01-27","(9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide",""],["QP3","1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione","C16 H12 O5","COc1cc(OC)c2C(=O)c3c(O)cccc3C(=O)c2c1;COc1cc2c(c(c1)OC)C(=O)c3c(cccc3O)C2=O","InChI=1S/C16H12O5/c1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3","","2022-11-10","2023-03-03","1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione","2023-03-08"],["17M","17-METHYL-17-ALPHA-DIHYDROEQUILENIN","C19 H22 O2","Oc2ccc1c3c(ccc1c2)C4CCC(O)(C4(CC3)C)C;C[C]1(O)CC[CH]2c3ccc4cc(O)ccc4c3CC[C]12C;CC12CCc3c4ccc(cc4ccc3C1CCC2(C)O)O","InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1","","2005-09-29","2011-06-04","(13alpha,17beta)-17-methylestra-1(10),2,4,6,8-pentaene-3,17-diol",""],["QP4","4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine","C26 H23 F N4 O","c5(CCCOC)nc(c3c2CC(c1ccccc1)=Nc2ncc3)c(c4ccc(cc4)F)n5;COCCCc1[nH]c(c2ccnc3N=C(Cc23)c4ccccc4)c(n1)c5ccc(F)cc5;COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5","InChI=1S/C26H23FN4O/c1-32-15-5-8-23-30-24(18-9-11-19(27)12-10-18)25(31-23)20-13-14-28-26-21(20)16-22(29-26)17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15-16H2,1H3,(H,30,31)","","2019-12-05","2020-04-17","4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine","2020-04-22"],["QP6","(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H16 F2 N2 O3","Fc1cc(F)c2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21;CO[C]1(CCOc2c(F)cc(F)cc12)C(=O)Nc3cncc4ccccc34;COC1(CCOc2c1cc(cc2F)F)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1","","2023-08-18","2023-11-03","(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["17N","8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid","C18 H12 O7","O=C(O)c3c1c(cc4c(c1c2OCOc2c3)cccc4OC)C(=O)O;COc1cccc2c1cc(C(O)=O)c3c(cc4OCOc4c23)C(O)=O;COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O","InChI=1S/C18H12O7/c1-23-12-4-2-3-8-9(12)5-10(17(19)20)14-11(18(21)22)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)(H,21,22)","","2011-03-22","2012-09-21","8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid","2012-09-21"],["QP7","3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol","C25 H21 F N4 O","c5(nc(c1ccc(cc1)F)c(c4c2c(nc(c2)c3ccccc3)ncc4)n5)CCCO;OCCCc1[nH]c(c2ccnc3[nH]c(cc23)c4ccccc4)c(n1)c5ccc(F)cc5;c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F","InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30)","","2019-12-05","2020-04-17","3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol","2020-04-22"],["17O","(7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid","C12 H11 N3 O3 S2","O=C(O)C3=CSC(c1nn2c(c1)CSC2)C(=CN3)C=O;OC(=O)C1=CS[CH](C(=CN1)C=O)c2cc3CSCn3n2;c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2","InChI=1S/C12H11N3O3S2/c16-3-7-2-13-10(12(17)18)5-20-11(7)9-1-8-4-19-6-15(8)14-9/h1-3,5,11,13H,4,6H2,(H,17,18)/t11-/m1/s1","","2012-10-26","2024-09-27","(7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid","2013-07-31"],["17P","1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide","C22 H24 N6 O","O=C(N)c4cnc(NC1CCCCC1)c5c3c(cc(c2cn(nc2)C)cc3)nc45;Cn1cc(cn1)c2ccc3c([nH]c4c(cnc(NC5CCCCC5)c34)C(N)=O)c2;Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5","InChI=1S/C22H24N6O/c1-28-12-14(10-25-28)13-7-8-16-18(9-13)27-20-17(21(23)29)11-24-22(19(16)20)26-15-5-3-2-4-6-15/h7-12,15,27H,2-6H2,1H3,(H2,23,29)(H,24,26)","","2011-06-08","2012-03-16","1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide",""],["QP8"," tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate","C19 H25 N5 O3","CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O;CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O","InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)","~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate","2020-07-15","2021-03-01","~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate","2020-10-07"],["QP9","(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H22 N4 O5","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3cnc(NC4CCOCC4)cn3;c1cc2c(c(c1)O)CC(C2NC(=O)c3cnc(cn3)NC4CCOCC4)C(=O)O","InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["17Q","1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine","C19 H39 N O","O(CCCCCN(C)C)C1CCCCCCCCCCC1;CN(C)CCCCCOC1CCCCCCCCCCC1;CN(C)CCCCCOC1CCCCCCCCCCC1","InChI=1S/C19H39NO/c1-20(2)17-13-10-14-18-21-19-15-11-8-6-4-3-5-7-9-12-16-19/h19H,3-18H2,1-2H3","","2013-03-14","2014-09-05","5-(cyclododecyloxy)-N,N-dimethylpentan-1-amine","2014-03-26"],["17R","(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine","C20 H19 F4 N5 O2 S","FC(F)(F)c1cc(F)ccc1N2CC(N(CC2)S(=O)(=O)c4cccc(n3ncnc3)c4)C;C[CH]1CN(CCN1[S](=O)(=O)c2cccc(c2)n3cncn3)c4ccc(F)cc4C(F)(F)F;CC1CN(CCN1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F","InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1","(R)-1-(3-(1H-1,2,4-triazol-1-yl)phenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine","2009-05-15","2020-06-17","(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine",""],["QPA","S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine","C6 H12 N O8 P S","O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C;C[C](O[P](O)(O)=O)(SC[CH](N)C(O)=O)C(O)=O;CC(C(=O)O)(OP(=O)(O)O)SCC(C(=O)O)N","InChI=1S/C6H12NO8PS/c1-6(5(10)11,15-16(12,13)14)17-2-3(7)4(8)9/h3H,2,7H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,6-/m0/s1","","2011-07-12","2024-09-27","S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine",""],["QPB","methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate","C11 H12 O3","COC(=O)C(C)=Cc1ccc(O)cc1;CC(=Cc1ccc(cc1)O)C(=O)OC","InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7-","","2020-07-16","2024-09-27","methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate","2021-07-28"],["17S","N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C15 H21 N3 O6 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(OC)cc2;COc1ccc(cc1)C=NNC(=S)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;COc1ccc(cc1)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C15H21N3O6S/c1-23-9-4-2-8(3-5-9)6-16-18-15(25)17-14-13(22)12(21)11(20)10(7-19)24-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,25)/b16-6+/t10-,11-,12+,13-,14-/m1/s1","4-methoxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone","2010-05-03","2021-03-01","N-{[(2E)-2-(4-methoxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QPC","4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide","C24 H27 N5 O2","O=C(NCC(C)(C)C)Cc1ccc(cc1)Nc2nc(ncc2C(=O)N)c3ccccc3;CC(C)(C)CNC(=O)Cc1ccc(Nc2nc(ncc2C(N)=O)c3ccccc3)cc1;CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N","InChI=1S/C24H27N5O2/c1-24(2,3)15-27-20(30)13-16-9-11-18(12-10-16)28-23-19(21(25)31)14-26-22(29-23)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H2,25,31)(H,27,30)(H,26,28,29)","","2013-06-26","2013-10-18","4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide","2013-10-23"],["17T","N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 Cl N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(Cl)cc2;OC[CH]1O[CH](NC(=S)NN=Cc2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)Cl","InChI=1S/C14H18ClN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1","N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2E)-2-(4-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["17U","(3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol","C9 H19 N O","OC(C(=C)C)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C(C)=C;CC(C)CC(C(C(=C)C)O)N","InChI=1S/C9H19NO/c1-6(2)5-8(10)9(11)7(3)4/h6,8-9,11H,3,5,10H2,1-2,4H3/t8-,9-/m0/s1","","2012-10-28","2014-01-24","(3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol","2014-01-29"],["QPD","(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide","C17 H16 N4 O2","c2ccc3ncc(C(=O)NNC(c1ccccc1)C(=O)N)c3c2;NC(=O)[CH](NNC(=O)c1c[nH]c2ccccc12)c3ccccc3;c1ccc(cc1)C(C(=O)N)NNC(=O)c2c[nH]c3c2cccc3","InChI=1S/C17H16N4O2/c18-16(22)15(11-6-2-1-3-7-11)20-21-17(23)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,19-20H,(H2,18,22)(H,21,23)/t15-/m1/s1","","2019-12-05","2019-12-13","(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide","2019-12-18"],["17V","2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide","C18 H18 N4 O2 S","O=C(N)c3cc4OCCc2c(sc(c1ncnn1C(C)C)c2)c4cc3;CC(C)n1ncnc1c2sc3c(CCOc4cc(ccc34)C(N)=O)c2;CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N","InChI=1S/C18H18N4O2S/c1-10(2)22-18(20-9-21-22)15-8-11-5-6-24-14-7-12(17(19)23)3-4-13(14)16(11)25-15/h3-4,7-10H,5-6H2,1-2H3,(H2,19,23)","","2012-10-29","2013-01-04","2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide","2013-01-04"],["QPE","methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate","C11 H12 O2","COC(=O)C(C)=Cc1ccccc1;CC(=Cc1ccccc1)C(=O)OC","InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-","","2020-07-16","2024-09-27","methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate","2021-07-28"],["17W","2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole","C15 H14 N2 O S","n2c1ccccc1nc2SCCOc3ccccc3;C(CSc1[nH]c2ccccc2n1)Oc3ccccc3;c1ccc(cc1)OCCSc2[nH]c3ccccc3n2","InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)","","2012-10-29","2013-01-18","2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole","2013-01-18"],["QPF","1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione","C15 H10 O5","COc1cc(O)cc2C(=O)c3cccc(O)c3C(=O)c12;COc1cc(cc2c1C(=O)c3c(cccc3O)C2=O)O","InChI=1S/C15H10O5/c1-20-11-6-7(16)5-9-13(11)15(19)12-8(14(9)18)3-2-4-10(12)17/h2-6,16-17H,1H3","","2022-11-10","2023-03-03","1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione","2023-03-08"],["QPH","N-formyl-L-phenylalanine","C10 H11 N O3","O=C(O)C(NC=O)Cc1ccccc1;OC(=O)[CH](Cc1ccccc1)NC=O;c1ccc(cc1)CC(C(=O)O)NC=O","InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1","","2011-04-28","2024-09-27","N-formyl-L-phenylalanine",""],["17X","(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate","C40 H42 N6 O2","O=C(OCC(n2c3ccccc3nc2c1ccccc1)C4CCNCC4)C8CCN(c5nc7c(n5Cc6ccccc6)cccc7)CC8;O=C(OC[CH](C1CCNCC1)n2c3ccccc3nc2c4ccccc4)C5CCN(CC5)c6nc7ccccc7n6Cc8ccccc8;c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OCC(C5CCNCC5)n6c7ccccc7nc6c8ccccc8","InChI=1S/C40H42N6O2/c47-39(32-21-25-44(26-22-32)40-43-33-15-7-9-17-35(33)45(40)27-29-11-3-1-4-12-29)48-28-37(30-19-23-41-24-20-30)46-36-18-10-8-16-34(36)42-38(46)31-13-5-2-6-14-31/h1-18,30,32,37,41H,19-28H2/t37-/m1/s1","","2013-03-26","2013-05-17","(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate","2013-05-22"],["QPI","naphthalene-1,3-diol","C10 H8 O2","Oc1cc(O)c2ccccc2c1;c1ccc2c(c1)cc(cc2O)O","InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H","1,3-Dihydroxynaphthalene","2023-08-30","2024-03-08","naphthalene-1,3-diol","2024-03-13"],["17Y","(1R,2S)-cyclopentane-1,2-diol","C5 H10 O2","OC1CCCC1O;O[CH]1CCC[CH]1O;C1CC(C(C1)O)O","InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+","","2012-10-29","2016-01-22","(1R,2S)-cyclopentane-1,2-diol","2016-01-27"],["QPJ","2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol","C5 H14 O10 P2","P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O;OCC[CH](O[P](O)(O)=O)[CH](O)CO[P](O)(O)=O;C(CO)C(C(COP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1","","2019-12-05","2024-09-27","2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol","2022-03-09"],["17Z","2-methylnaphthalene-1,4-diol","C11 H10 O2","Oc2c1ccccc1c(O)c(c2)C;Cc1cc(O)c2ccccc2c1O;Cc1cc(c2ccccc2c1O)O","InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3","Menadione, bound form","2012-10-31","2024-09-27","2-methylnaphthalene-1,4-diol","2013-03-06"],["QPK","3-chloranyl-2,6-bis(fluoranyl)phenol","C6 H3 Cl F2 O","Oc1c(F)ccc(Cl)c1F;c1cc(c(c(c1F)O)F)Cl","InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H","","2020-07-17","2021-07-23","3-chloranyl-2,6-bis(fluoranyl)phenol","2021-07-28"],["180","2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACID","C22 H26 N4 O5 S3","O=S(=O)(c1cccnc1)NC(C(=O)O)CNC(=O)c2sc3sc(cc3c2)CCC4CCNCC4;OC(=O)[CH](CNC(=O)c1sc2sc(CCC3CCNCC3)cc2c1)N[S](=O)(=O)c4cccnc4;c1cc(cnc1)S(=O)(=O)NC(CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O","InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1","MERCK L739758","2004-07-20","2021-03-01","3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine",""],["181","1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE","C13 H14 N2 O4 S","O=C2C(Sc1ccccc1)=CN(C(=O)N2)COCCO;OCCOCN1C=C(Sc2ccccc2)C(=O)NC1=O;c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO","InChI=1S/C13H14N2O4S/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)","","2004-08-09","2011-06-04","1-[(2-hydroxyethoxy)methyl]-5-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione",""],["QPL","(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H17 N3 O5","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1;OCc1[nH]c2ccc(cc2n1)C(=O)N[CH]3[CH](Cc4c(O)cccc34)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc([nH]4)CO)C(=O)O","InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QPM","4-amino-2,2,6,6-tetramethylpiperidin-1-ol","C9 H19 N2 O","N1([O-])C(C)(C)CC(CC1(C)C)N;CC1(C)CC(N)CC(C)(C)N1[O-];CC1(CC(CC(N1[O-])(C)C)N)C","InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3/q-1","4-Amino-TEMPO","2019-12-06","2020-10-02","4-amino-2,2,6,6-tetramethylpiperidin-1-olate","2020-10-07"],["182","1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-2,4(1H,3H)-DIONE","C13 H14 N2 O4 Se","O=C2C([Se]c1ccccc1)=CN(C(=O)N2)COCCO;OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O;c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO","InChI=1S/C13H14N2O4Se/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)","","2004-08-09","2011-06-04","1-[(2-hydroxyethoxy)methyl]-5-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione",""],["QPN","1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one","C15 H16 F N3 O","CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3;CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1","InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3","","2020-07-17","2021-07-23","1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one","2021-07-28"],["183","1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE","C21 H22 N2 O5","O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3;OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O;c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO","InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)","","2004-08-10","2011-06-04","5-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione",""],["QPO","3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione","C15 H10 O5","COc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1;COc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O","InChI=1S/C15H10O5/c1-20-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3","","2022-11-10","2023-03-03","3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione","2023-03-08"],["184","6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID","C26 H28 O3","O=C(O)c2ccc1cc(ccc1c2)C(O)c3ccc4c(c3)C(CCC4(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)[CH](O)c3ccc4cc(ccc4c3)C(O)=O;CC1(CCC(c2c1ccc(c2)C(c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C","InChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m0/s1","BMS184394","2000-08-08","2021-03-01","6-[(S)-hydroxy(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid",""],["185","(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL","C21 H16 Br N5 O2","N#Cc3cc(c(Oc1nc(nc(c1Br)CO)Nc2ccc(C#N)cc2)c(c3)C)C;Cc1cc(cc(C)c1Oc2nc(Nc3ccc(cc3)C#N)nc(CO)c2Br)C#N;Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N","InChI=1S/C21H16BrN5O2/c1-12-7-15(10-24)8-13(2)19(12)29-20-18(22)17(11-28)26-21(27-20)25-16-5-3-14(9-23)4-6-16/h3-8,28H,11H2,1-2H3,(H,25,26,27)","","2004-04-15","2011-06-04","4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile",""],["QPP","N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE","C18 H15 N5","n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3;Cc1[nH]nc(Nc2nc(nc3ccccc23)c4ccccc4)c1;Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4","InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)","5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE","2006-12-19","2020-06-17","N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine",""],["QPQ","(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H16 Cl F N2 O3","Clc1cc2c(cc1F)OCCC2(OC)C(=O)Nc1cncc2ccccc21;CO[C]1(CCOc2cc(F)c(Cl)cc12)C(=O)Nc3cncc4ccccc34;COC1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["186","[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER","C23 H24 N2 O5","O=CC(=O)C=CC(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C;C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C=CC(=O)C=O;CC(C=CC(=O)C=O)NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2","InChI=1S/C23H24N2O5/c1-17(12-13-20(27)15-26)24-22(28)21(14-18-8-4-2-5-9-18)25-23(29)30-16-19-10-6-3-7-11-19/h2-13,15,17,21H,14,16H2,1H3,(H,24,28)(H,25,29)/b13-12+/t17-,21+/m0/s1","","2004-08-18","2011-06-04","Nalpha-[(benzyloxy)carbonyl]-N-[(1S,2E)-1-methyl-4,5-dioxopent-2-en-1-yl]-D-phenylalaninamide",""],["187","1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE","C25 H17 F4 N7 O","FC(F)(F)c2nn(c1cc(C(=[N@H])N)ccc1)c(c2)C(=O)Nc3ccc(cc3F)n4c5ccccc5nc4;NC(=N)c1cccc(c1)n2nc(cc2C(=O)Nc3ccc(cc3F)n4cnc5ccccc45)C(F)(F)F;c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F","InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)","","2004-09-09","2011-06-04","N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide",""],["QPR","1-(1-methylindol-3-yl)ethanone","C11 H11 N O","Cn1cc(C(C)=O)c2ccccc12;CC(=O)c1cn(c2c1cccc2)C","InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3","","2016-12-20","2017-04-14","1-(1-methylindol-3-yl)ethanone","2017-04-19"],["QPS","BETA-ACARBOSE","C25 H43 N O18","O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO","InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1","4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)\n-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose","2008-06-03","2020-07-17","4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["188","PYOCHELIN FE(III)","C14 H14 Fe N2 O3 S2","CN1[CH]2CS[CH]1[CH]3CSC(=N3)c4ccccc4O[Fe]OC2=O;C[N]12C3CSC1C4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O","InChI=1S/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17;/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19);/q;+2/p-2/t9-,10+,13-;/m1./s1","","2004-10-13","2023-09-23","",""],["189","N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE","C33 H43 N3 O4 S","O=S(=O)(N(CC1C(CNC1)CN(C(=O)COc2c(cccc2C)C)Cc3ccccc3)CC(C)C)c4ccccc4;CC(C)CN(C[CH]1CNC[CH]1CN(Cc2ccccc2)C(=O)COc3c(C)cccc3C)[S](=O)(=O)c4ccccc4;Cc1cccc(c1OCC(=O)N(Cc2ccccc2)CC3CNCC3CN(CC(C)C)S(=O)(=O)c4ccccc4)C","InChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/t29-,30-/m1/s1","","2004-10-13","2011-06-04","N-benzyl-2-(2,6-dimethylphenoxy)-N-{[(3R,4R)-4-{[(2-methylpropyl)(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl]methyl}acetamide",""],["QPT","carboplatin","C6 H12 N2 O4 Pt","N|[Pt]1(|N)OC(=O)C2(CCC2)C(=O)O1;C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]","InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+4/p-2","","2011-09-28","2025-11-11","[7-azaniumyl-5,9-bis(oxidanylidene)-6,8-dioxa-7$l^{4}-platinaspiro[3.5]nonan-7-yl]azanium",""],["18A","N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide","C19 H21 N O2","O=C(Nc1ccc(cc1)C=Cc2cc(c(O)c(c2)C)C)CC;CCC(=O)Nc1ccc(cc1)C=Cc2cc(C)c(O)c(C)c2;CCC(=O)Nc1ccc(cc1)C=Cc2cc(c(c(c2)C)O)C","InChI=1S/C19H21NO2/c1-4-18(21)20-17-9-7-15(8-10-17)5-6-16-11-13(2)19(22)14(3)12-16/h5-12,22H,4H2,1-3H3,(H,20,21)/b6-5+","(E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide, bound form","2012-11-01","2024-09-27","N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide","2013-12-04"],["QPU","1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol","C19 H35 N O12","O(C1C(OCC(O)C1O)CO)C3OC(C(NC2C(O)C(C)C(O)C(O)C2O)C(O)C3O)C;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)CO[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]3[CH](O)[CH](C)[CH](O)[CH](O)[CH]3O;CC1C(C(C(C(C1O)O)O)NC2C(OC(C(C2O)O)OC3C(OCC(C3O)O)CO)C)O","InChI=1S/C19H35NO12/c1-5-11(23)10(15(27)16(28)12(5)24)20-9-6(2)31-19(17(29)14(9)26)32-18-8(3-21)30-4-7(22)13(18)25/h5-29H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11+,12+,13+,14-,15-,16-,17+,18+,19+/m0/s1","","2008-05-01","2011-06-04","1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol",""],["18B","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy\nl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","CCC1=C(C)C(NC1=O)=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C=C)C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,34H,1,8-12H2,2-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-","181,182-dihydrobiliverdin","2009-08-04","2020-06-17","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["QPV","3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide","C21 H23 Cl N2 O2","C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O;CCCNC(=O)C1(CCC1)c2ccc(NC(=O)c3cccc(Cl)c3)cc2;CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl","InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)","","2019-12-06","2020-04-03","3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide","2020-04-08"],["QPW","2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide","C24 H28 Cl N3 O4","CCCN(C[CH]1CCOC1)C(=O)c2cc(OC)c3oc(NCc4cccc(Cl)c4)nc3c2;CCCN(CC1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl","InChI=1S/C24H28ClN3O4/c1-3-8-28(14-17-7-9-31-15-17)23(29)18-11-20-22(21(12-18)30-2)32-24(27-20)26-13-16-5-4-6-19(25)10-16/h4-6,10-12,17H,3,7-9,13-15H2,1-2H3,(H,26,27)/t17-/m0/s1","","2020-07-22","2020-08-21","2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide","2020-08-26"],["18C","N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE","C36 H71 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1","C18-CERAMIDE; N-STEAROYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-STEAROYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-STEAROYLAMINO-1,3-OCTADEC-4-ENEDIOL","2007-07-16","2020-05-26","N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octadecanamide",""],["18D","3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C12 H21 N O9","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1;CCC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O","InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1","3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid;\n3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosonic acid;\n3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosonic acid","2009-04-27","2020-07-17","3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",""],["QPX","(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H17 N3 O5","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1;OCc1[nH]c2ccc(cc2n1)C(=O)N[CH]3[CH](Cc4c(O)cccc34)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc([nH]4)CO)C(=O)O","InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QPY","benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate","C24 H25 N9 O5","C(c1ccccc1)OC(N5C(C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N)N=4)CCC5)=O;Nc1ncnc2n(CCNC(=O)C3=C(O)C(=O)NC(=N3)[CH]4CCCN4C(=O)OCc5ccccc5)cnc12;c1ccc(cc1)COC(=O)N2CCCC2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N","InChI=1S/C24H25N9O5/c25-19-17-21(28-12-27-19)32(13-29-17)10-8-26-22(35)16-18(34)23(36)31-20(30-16)15-7-4-9-33(15)24(37)38-11-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,34H,4,7-11H2,(H,26,35)(H2,25,27,28)(H,30,31,36)/t15-/m0/s1","","2019-12-06","2020-12-04","benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate","2020-12-09"],["18E","7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol","C16 H11 Cl N2 O","Clc4ncc(c3c4c2c(c1ccc(O)cc1cc2)n3)C;Cc1cnc(Cl)c2c1[nH]c3c4ccc(O)cc4ccc23;Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl","InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)13-12-4-2-9-6-10(20)3-5-11(9)15(12)19-14(8)13/h2-7,19-20H,1H3","","2010-09-21","2011-06-04","7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol",""],["QPZ","1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide","C18 H18 N2 O3 S","CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3;CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C","InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3","","2020-07-22","2021-07-30","1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide","2021-08-04"],["18F","1-benzyl-2-phenyl-1H-benzimidazole","C20 H16 N2","n2c1ccccc1n(c2c3ccccc3)Cc4ccccc4;C(n1c2ccccc2nc1c3ccccc3)c4ccccc4;c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4","InChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17/h1-14H,15H2","","2013-03-26","2013-05-17","1-benzyl-2-phenyl-1H-benzimidazole","2013-05-22"],["QQ0","4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide","C10 H13 N O3 S2","CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1;CN(CCS)S(=O)(=O)c1ccc(cc1)C=O","InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3","","2022-11-10","2024-09-27","4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide","2023-03-29"],["18G","5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C23 H24 N4 O2","C(#CC(c2cc(OC)c(c1ccccc1)cc2OC)C)c3c(nc(nc3C)N)N;COc1cc(c(OC)cc1[CH](C)C#Cc2c(C)nc(N)nc2N)c3ccccc3;Cc1c(c(nc(n1)N)N)C#CC(C)c2cc(c(cc2OC)c3ccccc3)OC","InChI=1S/C23H24N4O2/c1-14(10-11-17-15(2)26-23(25)27-22(17)24)18-12-21(29-4)19(13-20(18)28-3)16-8-6-5-7-9-16/h5-9,12-14H,1-4H3,(H4,24,25,26,27)/t14-/m0/s1","5-[(3S)-3-(2,5-dimethoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","2012-11-01","2021-03-13","5-[(3S)-3-(2,5-dimethoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","2014-03-19"],["18H","5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C22 H22 N4 O","C(#CC(c2ccc(c1ccccc1)cc2OC)C)c3c(nc(nc3C)N)N;COc1cc(ccc1[CH](C)C#Cc2c(C)nc(N)nc2N)c3ccccc3;Cc1c(c(nc(n1)N)N)C#CC(C)c2ccc(cc2OC)c3ccccc3","InChI=1S/C22H22N4O/c1-14(9-11-19-15(2)25-22(24)26-21(19)23)18-12-10-17(13-20(18)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/m0/s1","5-[(3S)-3-(3-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","2012-11-01","2021-03-13","5-[(3S)-3-(3-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","2014-03-19"],["QQ1","2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE","C21 H22 N6 S","n1c(c2nc(sc2nc1)c3c(ncn3CC4CCCCC4)c5ccccc5)N;Nc1ncnc2sc(nc12)c3n(CC4CCCCC4)cnc3c5ccccc5;c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N","InChI=1S/C21H22N6S/c22-19-17-20(24-12-23-19)28-21(26-17)18-16(15-9-5-2-6-10-15)25-13-27(18)11-14-7-3-1-4-8-14/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H2,22,23,24)","","2009-08-18","2011-06-04","2-[1-(cyclohexylmethyl)-4-phenyl-1H-imidazol-5-yl][1,3]thiazolo[5,4-d]pyrimidin-7-amine",""],["18I","3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide","C29 H22 F2 N4 O2","Fc1cccc(c1)c2ccc(c(F)c2)C(=O)NC(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5;Fc1cccc(c1)c2ccc(C(=O)N[CH](Cc3c[nH]c4ccccc34)C(=O)Nc5ccncc5)c(F)c2;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F","InChI=1S/C29H22F2N4O2/c30-21-5-3-4-18(14-21)19-8-9-24(25(31)15-19)28(36)35-27(29(37)34-22-10-12-32-13-11-22)16-20-17-33-26-7-2-1-6-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1","","2013-04-08","2013-08-30","3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide","2013-09-04"],["QQ2","[(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE","C24 H27 Cl N6 O2","Clc1ccc(cc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C;CN(C)C[CH](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc(C)ccc3Cl)cc1;Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OCC(CN(C)C)O)Cl","InChI=1S/C24H27ClN6O2/c1-17-4-9-21(25)22(12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m1/s1","","2006-06-26","2011-06-04","[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile",""],["18J","N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide","C18 H21 N O3 S","O=S(=O)(Nc1ccc(cc1)C=Cc2cc(c(O)c(c2)C)C)CC;CC[S](=O)(=O)Nc1ccc(cc1)C=Cc2cc(C)c(O)c(C)c2;CCS(=O)(=O)Nc1ccc(cc1)C=Cc2cc(c(c(c2)C)O)C","InChI=1S/C18H21NO3S/c1-4-23(21,22)19-17-9-7-15(8-10-17)5-6-16-11-13(2)18(20)14(3)12-16/h5-12,19-20H,4H2,1-3H3/b6-5+","(E)-N-(4-(4-HYDROXY-3,5-DIMETHYLSTYRYL)ETHANESULFONAMIDE, bound form","2012-11-01","2020-06-17","N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide","2013-12-04"],["QQ3","(3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLIN-2-YL)HEXANOIC ACID","C18 H18 N2 O4","O=C(O)CC(N3C(=O)c2c(nc1ccccc1c2C3=O)C)CCC;CCC[CH](CC(O)=O)N1C(=O)c2c(C)nc3ccccc3c2C1=O;CCCC(CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C","InChI=1S/C18H18N2O4/c1-3-6-11(9-14(21)22)20-17(23)15-10(2)19-13-8-5-4-7-12(13)16(15)18(20)24/h4-5,7-8,11H,3,6,9H2,1-2H3,(H,21,22)/t11-/m1/s1","","2009-09-01","2011-06-04","(3R)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid",""],["QQ4","Hexa Vinylpyrrolidone K15","C36 H56 N6 O6","C(CC(CC(N1CCCC1=O)CC(N2C(CCC2)=O)CC(N3CCCC3=O)CC(C)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O;C[CH](C[CH](C[CH](C[CH](C[CH](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O;CC(CC(CC(CC(CC(CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O","InChI=1S/C36H56N6O6/c1-26(38-16-3-9-32(38)44)22-28(40-18-5-11-34(40)46)24-30(42-20-7-13-36(42)48)25-29(41-19-6-12-35(41)47)23-27(39-17-4-10-33(39)45)14-21-37-15-2-8-31(37)43/h26-30H,2-25H2,1H3/t26-,27-,28+,29-,30-/m1/s1","1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one)","2019-12-06","2021-03-13","1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one)","2020-12-09"],["18K","N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine","C16 H18 N6 S","n2c(c1sc(nc1C)N)ccnc2Nc3ccc(N(C)C)cc3;CN(C)c1ccc(Nc2nccc(n2)c3sc(N)nc3C)cc1;Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C","InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)","","2011-07-15","2012-07-27","N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine",""],["18L","(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate","C21 H39 O7 P","O=P(OCC(O)COC(=O)CCCCCCCC=C/CC=C/CCCCC)(O)O;CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1","D (+)-sn-1-O-linoleoyl-glyceryl-3-phosphate","2011-01-26","2020-06-17","(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate",""],["QQ5","[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone","C22 H24 Cl N3 O4","COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CC[CH](O)[CH](C)C4;CC1CN(CCC1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl","InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-18(13)27)21(28)15-9-17-20(19(10-15)29-2)30-22(25-17)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,18,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,18-/m1/s1","","2020-07-23","2020-08-21","[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone","2020-08-26"],["QQ6","(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide","C19 H15 Cl N2 O S","Clc1ccc2SCCC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2SCC[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3CCSc4c3cc(cc4)Cl","InChI=1S/C19H15ClN2OS/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide","2023-11-08"],["18M","2'-O-methylguanosine 3',5'-bis(dihydrogen phosphate)","C11 H17 N5 O11 P2","O=P(O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)N)C(OC)C3OP(=O)(O)O;CO[CH]1[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)N=C(N)Nc23;COC1C(C(OC1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O","InChI=1S/C11H17N5O11P2/c1-24-7-6(27-29(21,22)23)4(2-25-28(18,19)20)26-10(7)16-3-13-5-8(16)14-11(12)15-9(5)17/h3-4,6-7,10H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)/t4-,6-,7-,10-/m1/s1","","2012-11-07","2012-11-16","2'-O-methylguanosine 3',5'-bis(dihydrogen phosphate)","2012-11-16"],["18N","1H-benzo[de]isoquinoline-1,3(2H)-dione","C12 H7 N O2","O=C2c1c3c(ccc1)cccc3C(=O)N2;O=C1NC(=O)c2cccc3cccc1c23;c1cc2cccc3c2c(c1)C(=O)NC3=O","InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)","1,8-NAPHTHALIMIDE","2008-10-28","2020-06-17","1H-benzo[de]isoquinoline-1,3(2H)-dione",""],["QQ7","cucurbit[7]uril","C42 H42 N28 O14","O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C%10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%16C%17[N](C[N]%18C%19C%20[N](C[N]1C%21C2N%22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O;C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O","InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+","","2010-02-01","2025-07-15","",""],["QQ8","(4~{S})-4-azanyl-5-formamido-pentanamide","C6 H13 N3 O3","N[CH](CCC(N)=O)CNC(O)=O;C(CC(=O)N)C(CNC(=O)O)N","InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1","","2020-07-23","2024-09-27","[(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid","2021-06-09"],["18O","N-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 N4 O7 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc([N+]([O-])=O)cc2;OC[CH]1O[CH](NC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]","InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-1-3-8(4-2-7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5+/t9-,10-,11+,12-,13-/m1/s1","4-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2E)-2-(4-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QQ9","(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid","C14 H15 N3 O3","O=C(c1ccnc2[NH]ccc21)N1CCCC(C1)C(=O)O;OC(=O)[CH]1CCCN(C1)C(=O)c2ccnc3[nH]ccc23;c1c[nH]c2c1c(ccn2)C(=O)N3CCCC(C3)C(=O)O","InChI=1S/C14H15N3O3/c18-13(17-7-1-2-9(8-17)14(19)20)11-4-6-16-12-10(11)3-5-15-12/h3-6,9H,1-2,7-8H2,(H,15,16)(H,19,20)/t9-/m1/s1","","2022-06-14","2022-07-01","(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid","2022-07-06"],["18P","N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide","C18 H18 Cl N5 O2","Clc1ccc(nc1)C(=O)Nc2cccc(c2)C3(N=C(N)CN(C3=O)C)C;CN1CC(=N[C](C)(C1=O)c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N;CC1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl","InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1","","2011-10-13","2011-11-04","N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide",""],["QQA","1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one","C23 H24 Cl2 N8 O3","CN1CC(=O)N(CC1)c1ccc(NCCNc2ccc([N+]([O-])=O)c(N)n2)nc1c1ccc(Cl)cc1Cl;CN1CCN(C(=O)C1)c2ccc(NCCNc3ccc(c(N)n3)[N+]([O-])=O)nc2c4ccc(Cl)cc4Cl;CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[O-]","InChI=1S/C23H24Cl2N8O3/c1-31-10-11-32(21(34)13-31)17-4-6-19(29-22(17)15-3-2-14(24)12-16(15)25)27-8-9-28-20-7-5-18(33(35)36)23(26)30-20/h2-7,12H,8-11,13H2,1H3,(H,27,29)(H3,26,28,30)","","2019-12-07","2022-06-22","1-[(2P)-6-({2-[(6-amino-5-nitropyridin-2-yl)amino]ethyl}amino)-2-(2,4-dichlorophenyl)pyridin-3-yl]-4-methylpiperazin-2-one","2020-01-15"],["18Q","2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","C15 H18 N3 O9 P S","O=C(NCc1sccc1)C2=CN(C(=O)NC2=O)C3OC(COP(=O)(O)O)C(O)C3;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCc3sccc3)C(=O)NC2=O;c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C15H18N3O9PS/c19-10-4-12(27-11(10)7-26-28(23,24)25)18-6-9(14(21)17-15(18)22)13(20)16-5-8-2-1-3-29-8/h1-3,6,10-12,19H,4-5,7H2,(H,16,20)(H,17,21,22)(H2,23,24,25)/t10-,11+,12+/m0/s1","","2012-11-07","2012-11-16","2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","2012-11-16"],["18R","3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide","C30 H33 N7 O2","O=C(Nc1cc(ccc1)C(C)(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)/C=C)C4)c5;CC(C)(C)c1cccc(NC(=O)c2cccc(c2)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35)c1;CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C=C)N","InChI=1S/C30H33N7O2/c1-5-24(38)36-14-8-13-23(17-36)37-28-25(27(31)32-18-33-28)26(35-37)19-9-6-10-20(15-19)29(39)34-22-12-7-11-21(16-22)30(2,3)4/h5-7,9-12,15-16,18,23H,1,8,13-14,17H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1","","2012-11-02","2012-11-09","3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide","2012-11-09"],["QQB","~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide","C14 H16 N2 O2","N[CH](CNC(O)=O)Cc1cccc2ccccc12;c1ccc2c(c1)cccc2CC(CNC(=O)O)N","InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1","","2020-07-23","2024-09-27","[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid","2021-06-09"],["18S","N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C15 H21 N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C;Cc1ccc(cc1)C=NNC(=S)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;Cc1ccc(cc1)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C15H21N3O5S/c1-8-2-4-9(5-3-8)6-16-18-15(24)17-14-13(22)12(21)11(20)10(7-19)23-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,24)/b16-6+/t10-,11-,12+,13-,14-/m1/s1","4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone","2010-05-03","2021-03-01","N-{[(2E)-2-(4-methylbenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["QQC","3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine","C23 H25 Cl F N7 O","Cc1[nH]nc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)c1;Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5","InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)","","2022-11-11","2023-11-17","3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine","2023-11-22"],["18T","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl\n(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate","C16 H26 N2 O15 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O","InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1","dTDP-6-deoxy-d-allose","2012-11-05","2020-06-17","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["QQD","4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide","C23 H23 N3 O2","c1ncccc1C4C(C)(c2ccccc2N4Cc3ccc(cc3)C(NO)=O)C;CC1(C)[CH](N(Cc2ccc(cc2)C(=O)NO)c3ccccc13)c4cccnc4;CC1(c2ccccc2N(C1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C","InChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m1/s1","","2019-12-09","2020-11-27","4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide","2020-12-02"],["QQE","[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","C24 H28 Cl N3 O5","COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO;CC1CN(C(CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)NC(C)c4cccc(c4)Cl","InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15+,19-/m0/s1","","2020-07-24","2020-08-21","[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","2020-08-26"],["18U","3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid","C13 H11 N O6 S2","O=S(=O)(c1c(scc1)C(=O)O)NCc2ccc(C(=O)O)cc2;OC(=O)c1ccc(CN[S](=O)(=O)c2ccsc2C(O)=O)cc1;c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O","InChI=1S/C13H11NO6S2/c15-12(16)9-3-1-8(2-4-9)7-14-22(19,20)10-5-6-21-11(10)13(17)18/h1-6,14H,7H2,(H,15,16)(H,17,18)","","2013-04-02","2014-05-02","3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid","2014-05-07"],["QQF","2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide","C21 H19 Cl2 N3 O3","Clc1ccc(cc1Cl)C(C)(NC(=O)COC)C(=O)Nc1cncc2ccccc21;COCC(=O)N[C](C)(C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3;CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)COC","InChI=1S/C21H19Cl2N3O3/c1-21(26-19(27)12-29-2,14-7-8-16(22)17(23)9-14)20(28)25-18-11-24-10-13-5-3-4-6-15(13)18/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)/t21-/m1/s1","","2023-08-18","2023-11-03","2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide","2023-11-08"],["18V","2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","C20 H24 F N5 O2 S2","FCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N;CCCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCCF)c3;CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N","InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26)","","2013-04-05","2014-01-17","2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine","2014-01-22"],["QQG","N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide","C21 H25 N3 O2","C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4;CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14;CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4","InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)","","2019-12-09","2020-11-27","N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide","2020-12-02"],["18W","3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid","C20 H22 N2 O9","O=C2C(=C(C(=Cc1c(c(c(n1)C)CC(=O)O)CCC(=O)O)N2)CC(=O)O)CCC(=O)O;Cc1[nH]c(C=C2NC(=O)C(=C2CC(O)=O)CCC(O)=O)c(CCC(O)=O)c1CC(O)=O;Cc1c(c(c([nH]1)C=C2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C20H22N2O9/c1-9-12(6-18(27)28)10(2-4-16(23)24)14(21-9)8-15-13(7-19(29)30)11(20(31)22-15)3-5-17(25)26/h8,21H,2-7H2,1H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b15-8-","","2012-11-08","2024-09-27","3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid","2013-02-22"],["18X","methyl (2Z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate","C19 H13 F N2 O3 S","C(C(OC)=O)(C#N)=C1SCC(N1c2ccc(cc2F)c3ccccc3)=O;COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(cc2F)c3ccccc3;COC(=O)C(=C1N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)C#N","InChI=1S/C19H13FN2O3S/c1-25-19(24)14(10-21)18-22(17(23)11-26-18)16-8-7-13(9-15(16)20)12-5-3-2-4-6-12/h2-9H,11H2,1H3/b18-14-","","2015-05-08","2016-04-29","methyl (2Z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate","2016-05-04"],["QQH","[(3~{R})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","C19 H23 N2 O3 S","C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc(C)c3C)C(O)=O;Cc1cccc(c1C)CC2=CC(=O)N3C(CSC3=C2[NH+](C)C)C(=O)O","InChI=1S/C19H22N2O3S/c1-11-6-5-7-13(12(11)2)8-14-9-16(22)21-15(19(23)24)10-25-18(21)17(14)20(3)4/h5-7,9,15H,8,10H2,1-4H3,(H,23,24)/p+1/t15-/m0/s1","","2017-11-08","2018-04-27","[(3~{R})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","2018-05-02"],["7NU","phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptopyranoside","C13 H16 O6","O[CH]1[CH](O)[CH](O[CH]([CH]2CO2)[CH]1O)Oc3ccccc3;c1ccc(cc1)OC2C(C(C(C(O2)C3CO3)O)O)O","InChI=1S/C13H16O6/c14-9-10(15)12(8-6-17-8)19-13(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12-,13-/m1/s1","Phenyl 6,7-dideoxy-6,7-epoxy-beta-D-galacto-heptopyranoside(6D); phenyl\n6,7-anhydro-D-glycero-beta-D-galacto-heptoside; phenyl 6,7-anhydro-D-glycero-D-galacto-heptoside; phenyl\n6,7-anhydro-D-glycero-galacto-heptoside","2016-11-28","2020-07-17","(2~{S},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R})-oxiran-2-yl]-6-phenoxy-oxane-3,4,5-triol","2017-10-11"],["QQI","(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H20 N4 O5","O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)nc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7NV","5-[[[(1S)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid","C23 H27 N3 O6","O=C(NCCCC)C(c1ccccc1)NC(=O)N(C)Cc2ccc3OCOc3c2C(=O)O;CCCCNC(=O)[CH](NC(=O)N(C)Cc1ccc2OCOc2c1C(O)=O)c3ccccc3;CCCCNC(=O)C(c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3","InChI=1S/C23H27N3O6/c1-3-4-12-24-21(27)19(15-8-6-5-7-9-15)25-23(30)26(2)13-16-10-11-17-20(32-14-31-17)18(16)22(28)29/h5-11,19H,3-4,12-14H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t19-/m0/s1","","2013-11-14","2014-09-05","5-{[{[(1S)-2-(butylamino)-2-oxo-1-phenylethyl]carbamoyl}(methyl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid","2013-11-27"],["QQJ","N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide","C25 H24 F N5 O2 S","c1(ccc(cc1)c4c(c3cc(Nc2c(ccc(c2)NC(=O)CC)OC)ncc3)nc(n4)SC)F;CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH]c(SC)nc3c4ccc(F)cc4)c1;CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC","InChI=1S/C25H24FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h5-14H,4H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)","","2019-12-09","2024-09-27","N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide","2020-04-22"],["QQK","[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","C26 H32 Cl N3 O5","CC[CH]1CO[C](C)(CCO)CN1C(=O)c2cc(OC)c3oc(N[CH](C)c4cccc(Cl)c4)nc3c2;CCC1COC(CN1C(=O)c2cc3c(c(c2)OC)oc(n3)NC(C)c4cccc(c4)Cl)(C)CCO","InChI=1S/C26H32ClN3O5/c1-5-20-14-34-26(3,9-10-31)15-30(20)24(32)18-12-21-23(22(13-18)33-4)35-25(29-21)28-16(2)17-7-6-8-19(27)11-17/h6-8,11-13,16,20,31H,5,9-10,14-15H2,1-4H3,(H,28,29)/t16-,20-,26+/m1/s1","","2020-07-24","2020-08-21","[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","2020-08-26"],["7NW","2-methyl-1,3-thiazole-4-carboxylic acid","C5 H5 N O2 S","Cc1scc(n1)C(O)=O;Cc1nc(cs1)C(=O)O","InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)","","2016-11-29","2024-09-27","2-methyl-1,3-thiazole-4-carboxylic acid","2017-12-20"],["7NX","cyclohexylmethyl hydrogen carbonate","C8 H14 O3","OC(=O)OCC1CCCCC1;C1CCC(CC1)COC(=O)O","InChI=1S/C8H14O3/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)","","2016-11-29","2024-09-27","cyclohexylmethyl hydrogen carbonate","2017-12-20"],["QQL","4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide","C24 H33 N5 O6","COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CC[N+]([O-])=O)C[CH]3CCNC3=O;CC(C)CC(C(=O)NC(CC[N+](=O)[O-])CC1CCNC1=O)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H33N5O6/c1-14(2)11-19(28-24(32)20-13-17-18(27-20)5-4-6-21(17)35-3)23(31)26-16(8-10-29(33)34)12-15-7-9-25-22(15)30/h4-6,13-16,19,27H,7-12H2,1-3H3,(H,25,30)(H,26,31)(H,28,32)/t15-,16+,19-/m0/s1","","2022-11-11","2024-09-27","4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide","2023-11-08"],["7NZ","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol","C31 H32 F2 N6 O2","FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21;Oc1cc2ccccc2c(c1)c3ncc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7C[CH]8CC[CH](C7)N8;c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CC(C6)F)N7CC8CCC(C7)N8)F)O","InChI=1S/C31H32F2N6O2/c32-19-12-31(8-3-9-39(31)14-19)17-41-30-36-28-25(29(37-30)38-15-20-6-7-21(16-38)35-20)13-34-27(26(28)33)24-11-22(40)10-18-4-1-2-5-23(18)24/h1-2,4-5,10-11,13,19-21,35,40H,3,6-9,12,14-17H2/t19-,20-,21+,31+/m0/s1","","2021-08-13","2021-12-17","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol","2021-12-22"],["QQM","N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide","C27 H28 F N5 O3","c4c(ccc(c1nc(CCCO)nc1c2cc(ncc2)Nc3c(ccc(NC(CC)=O)c3)OC)c4)F;CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH]c(CCCO)nc3c4ccc(F)cc4)c1;CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC","InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)","","2019-12-09","2024-09-27","N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide","2020-04-22"],["QQN","[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone","C22 H24 Cl N3 O4","COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4CC[CH](O)[CH](C)C4;CC1CN(CCC1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl","InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-17(13)27)21(28)15-9-18(29-2)20-19(10-15)30-22(25-20)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,17,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,17-/m1/s1","","2020-07-24","2020-10-02","[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone","2020-10-07"],["7O0","(~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid","C22 H18 O3","OC(=O)C=Cc1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2;c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)C=CC(=O)O","InChI=1S/C22H18O3/c23-21-11-9-17(10-12-22(24)25)15-20(21)19-8-4-7-18(14-19)13-16-5-2-1-3-6-16/h1-12,14-15,23H,13H2,(H,24,25)/b12-10+","","2016-11-30","2017-11-03","(~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid","2017-11-08"],["QQO","(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide","C26 H28 Cl2 N4 O3","CC(C)N1CC(OCC1)C(=O)NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21;CC(C)N1CCO[CH](C1)C(=O)N[C](C)(C(=O)Nc2cncc3ccccc23)c4ccc(Cl)c(Cl)c4;CC(C)N1CCOC(C1)C(=O)NC(C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C26H28Cl2N4O3/c1-16(2)32-10-11-35-23(15-32)24(33)31-26(3,18-8-9-20(27)21(28)12-18)25(34)30-22-14-29-13-17-6-4-5-7-19(17)22/h4-9,12-14,16,23H,10-11,15H2,1-3H3,(H,30,34)(H,31,33)/t23-,26-/m1/s1","","2023-08-18","2023-11-03","(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide","2023-11-08"],["7O2","[(2~{S})-2-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid","C35 H40 N3 O4 P","N[CH](CCc1ccccc1)[P](O)(=O)C[CH](CC(c2ccccc2)c3ccccc3)C(=O)N[CH](Cc4ccccc4)C(N)=O;c1ccc(cc1)CCC(N)P(=O)(CC(CC(c2ccccc2)c3ccccc3)C(=O)NC(Cc4ccccc4)C(=O)N)O","InChI=1S/C35H40N3O4P/c36-33(22-21-26-13-5-1-6-14-26)43(41,42)25-30(35(40)38-32(34(37)39)23-27-15-7-2-8-16-27)24-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-33H,21-25,36H2,(H2,37,39)(H,38,40)(H,41,42)/t30-,32+,33-/m1/s1","","2016-11-30","2017-03-28","[(2~{S})-2-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid","2017-04-02"],["7O3","2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide","C16 H12 Cl2 N4 O2","Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1;c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O","InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22)","","2016-12-01","2024-09-27","2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide","2017-05-17"],["QQP","N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide","C19 H15 F3 N8 O3","n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2)=O)O)=O)c4c3c(N)ncn4;Nc1ncnc2n(CCNC(=O)C3=C(O)C(=O)NC(=N3)c4ccccc4C(F)(F)F)cnc12;c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F","InChI=1S/C19H15F3N8O3/c20-19(21,22)10-4-2-1-3-9(10)15-28-11(13(31)18(33)29-15)17(32)24-5-6-30-8-27-12-14(23)25-7-26-16(12)30/h1-4,7-8,31H,5-6H2,(H,24,32)(H2,23,25,26)(H,28,29,33)","","2019-12-09","2020-12-04","N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide","2020-12-09"],["QQQ","1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid","C10 H12 N2 O3 S","O=S(=O)(O)c2nc1ccccc1n2C(C)C;CC(C)n1c2ccccc2nc1[S](O)(=O)=O;CC(C)n1c2ccccc2nc1S(=O)(=O)O","InChI=1S/C10H12N2O3S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)16(13,14)15/h3-7H,1-2H3,(H,13,14,15)","","2009-03-17","2011-06-04","1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid",""],["7O4","3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid","C8 H6 N2 O3","c1c(occ1)c2nnc(c2)C(=O)O;OC(=O)c1[nH]nc(c1)c2occc2;c1cc(oc1)c2cc([nH]n2)C(=O)O","InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)","","2016-11-21","2017-04-07","3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid","2017-04-12"],["7O5","(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid","C5 H10 N2 O3 S","N[CH](CNC(=O)CS)C(O)=O;C(C(C(=O)O)N)NC(=O)CS","InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-7-4(8)2-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","","2016-12-01","2024-09-27","(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid","2020-05-27"],["QQR","(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H20 N4 O5","O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)nc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QQS","2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine","C31 H49 N5 O2","COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5;CC(C)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC","InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3","","2022-11-11","2023-11-10","2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine","2023-11-15"],["7O6","[(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C17 H20 N4 O10 P","Cc1cc2nc3C(=O)NC(=O)Nc3[n+](C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C=O;Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H19N4O10P/c1-7-2-9-10(3-8(7)5-22)21(15-13(18-9)16(26)20-17(27)19-15)4-11(23)14(25)12(24)6-31-32(28,29)30/h2-3,5,11-12,14,23-25H,4,6H2,1H3,(H3,20,26,27,28,29,30)/p+1/t11-,12+,14-/m1/s1","","2016-12-01","2016-12-22","[(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2016-12-28"],["7O7","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C33 H42 N4 O7 S2","c2(nc1ccc(cc1s2)S(N(CC(C)C)CC(C(Cc3ccccc3)NC(=O)OC5C6COC4C6CC5CO4)O)(=O)=O)NC7CC7;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C33H42N4O7S2/c1-19(2)15-37(46(40,41)23-10-11-26-29(14-23)45-32(35-26)34-22-8-9-22)16-28(38)27(12-20-6-4-3-5-7-20)36-33(39)44-30-21-13-24-25(30)18-43-31(24)42-17-21/h3-7,10-11,14,19,21-22,24-25,27-28,30-31,38H,8-9,12-13,15-18H2,1-2H3,(H,34,35)(H,36,39)/t21-,24-,25-,27+,28-,30+,31+/m1/s1","","2016-11-21","2017-10-13","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2017-10-18"],["QQT","[2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","C24 H27 Cl F N3 O5","COc1cc(cc2nc(N[CH](CF)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO;CC1CN(C(CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)NC(CF)c4cccc(c4)Cl","InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14-,18-,20+/m0/s1","","2020-07-24","2020-08-21","[2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","2020-08-26"],["QQU","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C29 H28 Cl N5 O3","Clc1ccc2OCCC(CC(=O)N3CCCCC3c3c[NH]nc3)(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2OCC[C](CC(=O)N3CCCC[CH]3c4c[nH]nc4)(C(=O)Nc5cncc6ccccc56)c2c1;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCCC5c6c[nH]nc6","InChI=1S/C29H28ClN5O3/c30-21-8-9-26-23(13-21)29(10-12-38-26,28(37)34-24-18-31-15-19-5-1-2-6-22(19)24)14-27(36)35-11-4-3-7-25(35)20-16-32-33-17-20/h1-2,5-6,8-9,13,15-18,25H,3-4,7,10-12,14H2,(H,32,33)(H,34,37)/t25-,29+/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7O8","5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide","C11 H10 Cl N O2 S3","N[S](=O)(=O)c1sc(SCc2ccc(Cl)cc2)cc1;c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl","InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)","","2016-12-01","2017-12-01","5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide","2017-12-06"],["7O9","(2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid","C19 H17 F3 N2 O6","N[CH]([CH](OCc1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O)C(O)=O;c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)COC(C(C(=O)O)N)C(=O)O","InChI=1S/C19H17F3N2O6/c20-19(21,22)12-6-4-11(5-7-12)16(25)24-13-3-1-2-10(8-13)9-30-15(18(28)29)14(23)17(26)27/h1-8,14-15H,9,23H2,(H,24,25)(H,26,27)(H,28,29)/t14-,15-/m0/s1","","2016-12-02","2017-04-14","(2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid","2017-04-19"],["QQV","(1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide","C19 H25 N3 O5 S","O=C(N1CCOCC1)C3CC(S(=O)(=O)c2ccccc2)CC3C(=O)NCC=[N@H];N=CCNC(=O)[CH]1C[CH](C[CH]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccccc3;c1ccc(cc1)S(=O)(=O)C2CC(C(C2)C(=O)N3CCOCC3)C(=O)NCC=N","InChI=1S/C19H25N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-6,15-17,20H,7-13H2,(H,21,23)/b20-6+/t15-,16-,17-/m1/s1","","2013-06-11","2024-09-27","(1R,2R,4R)-N-[(2E)-2-iminoethyl]-2-(morpholin-4-ylcarbonyl)-4-(phenylsulfonyl)cyclopentanecarboxamide","2013-11-27"],["QQW","[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","C24 H28 Cl N3 O5","COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO;CC1CN(C(CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)NC(C)c4cccc(c4)Cl","InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-/m1/s1","","2020-07-24","2020-08-21","[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone","2020-08-26"],["7OA","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","C33 H40 F2 N4 O7 S2","c1c(cc(cc1F)F)CC(C(CN(CC(C)C)S(c2ccc3c(c2)sc(n3)NC4CC4)(=O)=O)O)NC(=O)OC5C7COC6C7CC5CO6;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C33H40F2N4O7S2/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)47-32(37-26)36-22-3-4-22)14-28(40)27(9-18-7-20(34)11-21(35)8-18)38-33(41)46-30-19-10-24-25(30)16-45-31(24)44-15-19/h5-8,11-12,17,19,22,24-25,27-28,30-31,40H,3-4,9-10,13-16H2,1-2H3,(H,36,37)(H,38,41)/t19-,24-,25-,27+,28-,30+,31+/m1/s1","","2016-11-21","2017-10-13","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate","2017-10-18"],["7OB","4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate","C20 H13 F3 N4 O2","[O-]C1=C(C(=O)N2C=CC=CC2=[N+]1Cc3cncnc3)c4cccc(c4)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-]","InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2","Triflumezopyrim","2021-08-10","2022-01-28","4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate","2022-02-02"],["QQX","[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol","C10 H12 N5 O5 P S","S=P1(OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=S)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=S)(O4)O)N","InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1","ADENOSINE-2',3'-CYCLOPHOSPHOROTHIOATE","2012-10-30","2021-03-13","(2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide","2013-07-10"],["QQY","[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol","C10 H12 N5 O5 P S","O=P1(S)OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](S)(=O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=O)(O4)S)N","InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1","","2012-11-22","2014-09-05","[(2R,3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2-oxido-2-sulfanyltetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methanol","2013-07-10"],["7OC","[3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate","C39 H72 O5","CCCCCCCC=CCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCC=CCCCCCCC;CCCCCCCC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CCCCCCCC)O","InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15+,18-16+","","2022-02-22","2022-04-08","[3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate","2022-04-13"],["QQZ","phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid","C7 H10 B N6 O7 P S","OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O;B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O","InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14)","","2017-07-05","2024-09-27","phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid","2017-12-06"],["7OD","(2E,5R)-5-hydroxy-2-methylhept-2-enoic acid","C8 H14 O3","O=C(O)C(C)=[C@H]CC(O)CC;CC[CH](O)CC=C(C)C(O)=O;CCC(CC=C(C)C(=O)O)O","InChI=1S/C8H14O3/c1-3-7(9)5-4-6(2)8(10)11/h4,7,9H,3,5H2,1-2H3,(H,10,11)/b6-4+/t7-/m1/s1","","2016-11-22","2017-01-06","(2E,5R)-5-hydroxy-2-methylhept-2-enoic acid","2017-01-11"],["QR0","(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C20 H18 N4 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(Nn2ccnc2)cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(Nn4ccnc4)cc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)Nn4ccnc4)C(=O)O","InChI=1S/C20H18N4O4/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)22-19(26)12-4-6-13(7-5-12)23-24-9-8-21-11-24/h1-9,11,16,18,23,25H,10H2,(H,22,26)(H,27,28)/t16-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7OE","4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine","C33 H32 F2 N6 O","C#Cc1c2c(ccc1F)cccc2c1ncc2c(nc(nc2N2CC3CCC(N3)C2)OCC23CCCN3CCC2)c1F;Fc1ccc2cccc(c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N7C[CH]8CC[CH](C7)N8)c2c1C#C;C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7CC8CCC(C7)N8)F)F","InChI=1S/C33H32F2N6O/c1-2-23-26(34)11-8-20-6-3-7-24(27(20)23)29-28(35)30-25(16-36-29)31(40-17-21-9-10-22(18-40)37-21)39-32(38-30)42-19-33-12-4-14-41(33)15-5-13-33/h1,3,6-8,11,16,21-22,37H,4-5,9-10,12-15,17-19H2/t21-,22+","","2021-08-13","2021-12-17","4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine","2021-12-22"],["QR1","{3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)","C11 H24 B N2 O5","O=C(O)C2(CC1C[NH2+]CC1C2CCC[B-](O)(O)O)[NH3+];[NH3+][C]1(C[CH]2C[NH2+]C[CH]2[CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1C2C[NH2+]CC2CC1(C(=O)O)[NH3+])(O)(O)O","InChI=1S/C11H22BN2O5/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17,18)19/h7-9,14,17-19H,1-6,13H2,(H,15,16)/q-1/p+2/t7-,8+,9-,11-/m0/s1","","2019-12-10","2020-05-01","{3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)","2020-05-06"],["7OF","(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide","C13 H9 Cl F3 N3 O","FC(F)(F)C(=O)N=C1C=CC=CN1Cc2ccc(Cl)nc2;c1cc(ncc1CN2C=CC=CC2=NC(=O)C(F)(F)F)Cl","InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+","","2021-08-10","2022-01-28","(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide","2022-02-02"],["7OG","[(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone","C22 H21 N5 O","c51ncnn1c(C4CN(C(c3ccc2c(cccc2)c3)=O)CCC4)cc(C)n5;Cc1cc([CH]2CCCN(C2)C(=O)c3ccc4ccccc4c3)n5ncnc5n1;Cc1cc(n2c(n1)ncn2)C3CCCN(C3)C(=O)c4ccc5ccccc5c4","InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3/t19-/m0/s1","","2016-11-25","2017-02-17","[(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone","2017-02-22"],["QR2","5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one","C9 H4 Cl F3 N2 O2","FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2;c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl","InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)","","2020-07-24","2020-11-06","5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one","2020-11-11"],["7OH","Fe-Tetra(4-pyridyl)porphyrin","C40 H24 Fe N8","[Fe]1N2C3=C(c4ccncc4)C5=NC(=C(c6ccncc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccncc9)c%10ccncc%10)C=C5;c1cc2n3c1C(=C4C=CC5=[N]4[Fe]36N7C(=C5c8ccncc8)C=CC7=C(C9=[N]6C(=C2c1ccncc1)C=C9)c1ccncc1)c1ccncc1","InChI=1S/C40H24N8.Fe/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;/h1-24H;/q-2;+2/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;","","2021-10-08","2022-08-12","","2022-08-17"],["QR3","2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one","C21 H24 N6 O3","Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3)c5ccc(C)nn5;Cc1ccc(nn1)c2c(c(on2)C)CN3C(=O)C=C(C=N3)N4CC5(C4)CCCCO5","InChI=1S/C21H24N6O3/c1-14-5-6-18(24-23-14)20-17(15(2)30-25-20)11-27-19(28)9-16(10-22-27)26-12-21(13-26)7-3-4-8-29-21/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3","","2022-11-11","2023-10-27","2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one","2023-11-01"],["QR4","{3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)","C11 H24 B N2 O5","O=C(C1(C2C(CC1CCC[B-](O)(O)O)[NH2+]CC2)[NH3+])O;[NH3+][C]1([CH](CCC[B-](O)(O)O)C[CH]2[NH2+]CC[CH]12)C(O)=O;[B-](CCCC1CC2C(C1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O","InChI=1S/C11H22BN2O5/c13-11(10(15)16)7(2-1-4-12(17,18)19)6-9-8(11)3-5-14-9/h7-9,14,17-19H,1-6,13H2,(H,15,16)/q-1/p+2/t7-,8+,9+,11+/m0/s1","","2019-12-10","2020-05-01","{3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)","2020-05-06"],["7OI","(1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C33 H28 F3 N O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCc2ccccc2)cc1;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F)(F)F)c4ccc(OCc5ccccc5)cc4)c6ccc(O)cc6;c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C33H28F3NO6S/c34-33(35,36)20-37(24-10-16-27(17-11-24)42-19-21-4-2-1-3-5-21)44(40,41)29-18-28-30(22-6-12-25(38)13-7-22)31(32(29)43-28)23-8-14-26(39)15-9-23/h1-17,28-29,32,38-39H,18-20H2/t28-,29+,32+/m0/s1","","2021-08-14","2021-09-03","(1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-08"],["7OJ","(3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone","C18 H15 Br F3 N5 O","n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(Br)c(cc3)F)=O)C4)F;Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)c(Br)c3)n4ncnc4n1;Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F","InChI=1S/C18H15BrF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1","","2016-11-25","2017-02-17","(3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone","2017-02-22"],["QR5","(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide","C26 H25 Cl2 N5 O3","Clc1ccc(cc1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc1cncc2ccccc21;C[C](NC(=O)CN1CCN(C2CC2)C1=O)(C(=O)Nc3cncc4ccccc34)c5ccc(Cl)c(Cl)c5;CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN4CCN(C4=O)C5CC5","InChI=1S/C26H25Cl2N5O3/c1-26(17-6-9-20(27)21(28)12-17,24(35)30-22-14-29-13-16-4-2-3-5-19(16)22)31-23(34)15-32-10-11-33(25(32)36)18-7-8-18/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1","","2023-08-21","2023-11-03","(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide","2023-11-08"],["QR6","(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H20 Cl N3 O5","O=C(NC1CC1)Nc1ccc(c(Cl)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3Cl;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3Cl)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H20ClN3O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7OK","N-hydroxycytidine 5'-(dihydrogen phosphate) tautomer","C9 H14 N3 O9 P","ON=C1NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)NC1=NO)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O9P/c13-6-4(3-20-22(17,18)19)21-8(7(6)14)12-2-1-5(11-16)10-9(12)15/h1-2,4,6-8,13-14,16H,3H2,(H,10,11,15)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1","[(2R,3S,4R,5R)-5-[(4E)-4-hydroxyimino-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2021-08-11","2021-08-13","[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2021-08-18"],["7OL","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol","C12 H16 O6","OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/m1/s1","","2021-10-08","2022-03-04","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol","2022-03-09"],["QR7","10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one","C24 H28 N8 O2","CN1CCOCCNC(=O)c2cn(C)c3ccc(Nc4nccc(n4)n5cc(C1)c(C)n5)cc23;Cc1c2cn(n1)-c3ccnc(n3)Nc4ccc5c(c4)c(cn5C)C(=O)NCCOCCN(C2)C","InChI=1S/C24H28N8O2/c1-16-17-13-30(2)9-11-34-10-8-25-23(33)20-15-31(3)21-5-4-18(12-19(20)21)27-24-26-7-6-22(28-24)32(14-17)29-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,25,33)(H,26,27,28)","","2022-11-11","2023-06-09","10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one","2023-06-14"],["7OM","(3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide","C22 H22 N6 O","Cc1cc(N2CCC[CH](C2)C(=O)Nc3ccc4ccccc4c3)n5ncnc5n1;Cc1cc(n2c(n1)ncn2)N3CCCC(C3)C(=O)Nc4ccc5ccccc5c4","InChI=1S/C22H22N6O/c1-15-11-20(28-22(25-15)23-14-24-28)27-10-4-7-18(13-27)21(29)26-19-9-8-16-5-2-3-6-17(16)12-19/h2-3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1H3,(H,26,29)/t18-/m1/s1","","2016-11-25","2022-08-22","(3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide","2017-02-22"],["QR8","(3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione","C20 H36 O6","C[CH]1C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(=O)[CH](C)[CH](O)[CH](C)[CH]1O;CC1CC(C(=O)C(C(C(C(OC(=O)C(C(C(C1O)C)O)C)C)C)O)C)C","InChI=1S/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10-,11-,12-,13+,14+,15+,17-,18-,19-/m0/s1","","2020-07-28","2020-10-16","(3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione","2020-10-21"],["QR9","(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C28 H27 Cl N4 O4","CC(=O)N1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;CC(=O)N1C[CH]2C[CH]1CN2C(=O)C[C]3(CCOc4ccc(Cl)cc34)C(=O)Nc5cncc6ccccc56;CC(=O)N1CC2CC1CN2C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6","InChI=1S/C28H27ClN4O4/c1-17(34)32-15-21-11-20(32)16-33(21)26(35)12-28(8-9-37-25-7-6-19(29)10-23(25)28)27(36)31-24-14-30-13-18-4-2-3-5-22(18)24/h2-7,10,13-14,20-21H,8-9,11-12,15-16H2,1H3,(H,31,36)/t20-,21-,28+/m1/s1","","2023-08-21","2023-11-03","(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7ON","Leritrelvir bound form","C31 H46 F3 N5 O6","O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)[CH](NC(=O)C(F)(F)F)C4CCCCC4)C(=O)NC5CCCC5;C1CCC(CC1)C(C(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)C(C(=O)NC5CCCC5)O)NC(=O)C(F)(F)F","InChI=1S/C31H46F3N5O6/c32-31(33,34)30(45)38-23(17-7-2-1-3-8-17)29(44)39-16-19-9-6-12-21(19)24(39)27(42)37-22(15-18-13-14-35-26(18)41)25(40)28(43)36-20-10-4-5-11-20/h17-25,40H,1-16H2,(H,35,41)(H,36,43)(H,37,42)(H,38,45)/t18-,19-,21-,22-,23-,24-,25+/m0/s1","","2023-03-01","2026-01-18","(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S},3~{R})-4-(cyclopentylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide","2023-04-05"],["QRA","3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C12 H24 B N2 O5","N1CCCC12CC(C(C(O)=O)(C2)N)CCC[B-](O)(O)O;N[C]1(C[C]2(CCCN2)C[CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1CC2(CCCN2)CC1(C(=O)O)N)(O)(O)O","InChI=1S/C12H24BN2O5/c14-12(10(16)17)8-11(4-2-6-15-11)7-9(12)3-1-5-13(18,19)20/h9,15,18-20H,1-8,14H2,(H,16,17)/q-1/t9-,11-,12-/m0/s1","","2019-12-11","2020-05-01","{3-[(5S,7S,8S)-8-amino-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl}(trihydroxy)borate(1-)","2020-05-06"],["7OO","[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid","C37 H44 N3 O4 P","CC(C)C[CH](NC(=O)[CH](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)C[P](O)(=O)[CH](N)CCc4ccccc4)C(N)=O;CC(C)CC(C(=O)N)NC(=O)C(Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)(C(CCc4ccccc4)N)O","InChI=1S/C37H44N3O4P/c1-26(2)20-34(36(39)41)40-37(42)33(25-45(43,44)35(38)19-18-27-12-6-3-7-13-27)23-28-21-31(29-14-8-4-9-15-29)24-32(22-28)30-16-10-5-11-17-30/h3-17,21-22,24,26,33-35H,18-20,23,25,38H2,1-2H3,(H2,39,41)(H,40,42)(H,43,44)/t33-,34+,35-/m1/s1","","2021-08-12","2022-01-21","[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid","2022-01-26"],["QRB","1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide","C18 H19 N3 O3","NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO;c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO","InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23)","","2020-07-29","2021-07-30","1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide","2021-08-04"],["7OP","[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone","C18 H16 F3 N5 O","n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3ccc(cc3)F)=O)C4)F;Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)cc3)n4ncnc4n1;Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F","InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3/t13-/m0/s1","","2016-11-25","2017-02-17","[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone","2017-02-22"],["7OQ","(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol","C12 H16 O7","OC[CH]1O[CH](Oc2ccc(O)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1O)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1","","2021-10-08","2022-03-04","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol","2022-03-09"],["QRC","(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H19 N3 O5","CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)cccc23)C(O)=O;CNC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc(c3CC2C(=O)O)O","InChI=1S/C19H19N3O5/c1-20-19(27)21-11-7-5-10(6-8-11)17(24)22-16-12-3-2-4-15(23)13(12)9-14(16)18(25)26/h2-8,14,16,23H,9H2,1H3,(H,22,24)(H,25,26)(H2,20,21,27)/t14-,16+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QRD","8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C19 H19 Cl F3 N5 O","CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(ccc3Cl)C(F)(F)F;CNc1ncc2c(n1)N(C(=O)C(=C2)c3cc(ccc3Cl)C(F)(F)F)CCCCN","InChI=1S/C19H19ClF3N5O/c1-25-18-26-10-11-8-14(13-9-12(19(21,22)23)4-5-15(13)20)17(29)28(16(11)27-18)7-3-2-6-24/h4-5,8-10H,2-3,6-7,24H2,1H3,(H,25,26,27)","","2022-11-14","2022-11-18","8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2022-11-23"],["7OR","(1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C34 H30 F3 N O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1;COc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(OCc6ccccc6)cc5;COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O","InChI=1S/C34H30F3NO6S/c1-42-27-17-11-25(12-18-27)38(21-34(35,36)37)45(40,41)30-19-29-31(23-7-13-26(39)14-8-23)32(33(30)44-29)24-9-15-28(16-10-24)43-20-22-5-3-2-4-6-22/h2-18,29-30,33,39H,19-21H2,1H3/t29-,30+,33+/m0/s1","","2021-08-16","2021-09-03","(1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-08"],["QRE","2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid","C27 H26 N2 O7 S","OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O;c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O","InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)","","2020-07-29","2021-06-04","2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid","2021-06-09"],["7OS","(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid","C30 H35 F4 N O4","O(c5c(C(C)N4CCC(C3Oc2cc(C(C(C)C(O)=O)C1CC1)ccc2CC3)CC4)cc(cc5)F)C(F)(F)F;C[CH]([CH](C1CC1)c2ccc3CC[CH](Oc3c2)C4CCN(CC4)[CH](C)c5cc(F)ccc5OC(F)(F)F)C(O)=O;CC(c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)C3CCc4ccc(cc4O3)C(C5CC5)C(C)C(=O)O","InChI=1S/C30H35F4NO4/c1-17(29(36)37)28(21-4-5-21)22-6-3-19-7-9-25(38-27(19)15-22)20-11-13-35(14-12-20)18(2)24-16-23(31)8-10-26(24)39-30(32,33)34/h3,6,8,10,15-18,20-21,25,28H,4-5,7,9,11-14H2,1-2H3,(H,36,37)/t17-,18-,25+,28-/m0/s1","","2016-11-28","2017-06-02","(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid","2017-06-07"],["QRF","2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide","C26 H23 Cl N4 O3","O=C(N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1)c1ccco1;Clc1cc(CC(=O)Nc2cncc3ccccc23)cc(c1)N4CCN(CC4)C(=O)c5occc5;c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5","InChI=1S/C26H23ClN4O3/c27-20-12-18(14-25(32)29-23-17-28-16-19-4-1-2-5-22(19)23)13-21(15-20)30-7-9-31(10-8-30)26(33)24-6-3-11-34-24/h1-6,11-13,15-17H,7-10,14H2,(H,29,32)","","2023-08-21","2023-11-03","2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["7OT","SPHEROIDENE","C41 H60 O","COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C","InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+","(6E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene","2021-08-13","2021-11-19","(6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene","2021-11-24"],["7OU","6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one","C15 H16 O9","OC[CH]1O[CH](Oc2cc3C=CC(=O)Oc3cc2O)[CH](O)[CH](O)[CH]1O;c1c2c(cc(c1OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=C2","InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1","Esculin","2021-10-08","2022-03-04","6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one","2022-03-09"],["QRG","N-acetyl-L-alpha-aspartyl-L-methionine","C11 H18 N2 O6 S","O=C(NC(C(=O)O)CCSC)C(NC(=O)C)CC(=O)O;CSCC[CH](NC(=O)[CH](CC(O)=O)NC(C)=O)C(O)=O;CC(=O)NC(CC(=O)O)C(=O)NC(CCSC)C(=O)O","InChI=1S/C11H18N2O6S/c1-6(14)12-8(5-9(15)16)10(17)13-7(11(18)19)3-4-20-2/h7-8H,3-5H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1","","2011-07-15","2011-09-30","N-acetyl-L-alpha-aspartyl-L-methionine",""],["QRH","(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide","C36 H38 N O3 P","O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4;c1ccc(cc1)P(CCCCCCNC(=O)C=CC=Cc2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5","InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+","","2020-07-29","2021-06-04","(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide","2021-06-09"],["7OV","[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone","C18 H15 F3 I N5 O","n4c1ncnn1c(C3CC(F)(CN(C(c2cc(c(F)cc2)I)=O)C3)F)cc4C;Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)c(I)c3)n4ncnc4n1;Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F","InChI=1S/C18H15F3IN5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(20,21)8-26(7-12)16(28)11-2-3-13(19)14(22)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1","","2016-11-28","2017-02-17","[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone","2017-02-22"],["7OW","1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one","C22 H24 F3 N3 O3","CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2;CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F","InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3","","2022-02-22","2022-06-03","1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one","2022-06-08"],["QRI","(1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H19 N3 O5","CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)cccc23)C(O)=O;CNC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc(c3CC2C(=O)O)O","InChI=1S/C19H19N3O5/c1-20-19(27)21-11-7-5-10(6-8-11)17(24)22-16-12-3-2-4-15(23)13(12)9-14(16)18(25)26/h2-8,14,16,23H,9H2,1H3,(H,22,24)(H,25,26)(H2,20,21,27)/t14-,16+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QRJ","{3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)","C12 H26 B N2 O5","OC(C2(CC1(C[NH2+]CC1)CC2CCC[B-](O)(O)O)[NH3+])=O;[NH3+][C]1(C[C]2(CC[NH2+]C2)C[CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1CC2(CC[NH2+]C2)CC1(C(=O)O)[NH3+])(O)(O)O","InChI=1S/C12H24BN2O5/c14-12(10(16)17)7-11(3-5-15-8-11)6-9(12)2-1-4-13(18,19)20/h9,15,18-20H,1-8,14H2,(H,16,17)/q-1/p+2/t9-,11-,12-/m0/s1","","2019-12-11","2020-05-01","{3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)","2020-05-06"],["7OX","7-oxo-simocyclinone D8","C46 H40 Cl N O18","C[CH]1O[CH](C[CH](OC(=O)C=CC=CC=CC=CC(=O)NC2=C(O)c3ccc(O)c(Cl)c3OC2=O)[CH]1OC(C)=O)c4ccc5C(=O)[C]67O[C]6([CH](O)C[C]8(O)CC(=CC(=O)[C]78O)C)C(=O)c5c4O;CC1C(C(CC(O1)c2ccc3c(c2O)C(=O)C45C(CC6(CC(=CC(=O)C6(C4(C3=O)O5)O)C)O)O)OC(=O)C=CC=CC=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C","InChI=1S/C46H40ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,50,52,55-56,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4-,7-5+,10-8?,11-9+/t21-,27-,28-,30+,38-,43-,44+,45-,46-/m1/s1","","2016-05-27","2016-09-30","","2016-10-05"],["7OY","(3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone","C18 H15 Cl F3 N5 O","n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(Cl)c(cc3)F)=O)C4)F;Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)c(Cl)c3)n4ncnc4n1;Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F","InChI=1S/C18H15ClF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1","","2016-11-28","2017-02-17","(3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone","2017-02-22"],["QRL","S-methyl hexanethioate","C7 H14 O S","CCCCCC(=O)SC;CCCCCC(=O)SC;CCCCCC(=O)SC","InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3","","2016-05-26","2017-06-16","S-methyl hexanethioate","2017-06-21"],["QRM","3-aminocyclohexa-1,3-diene-1-carboxylic acid","C7 H9 N O2","C(=O)(O)C=1CCC=C(C=1)N;NC1=CCCC(=C1)C(O)=O;C1CC(=CC(=C1)N)C(=O)O","InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10)","","2019-12-11","2020-12-18","3-aminocyclohexa-1,3-diene-1-carboxylic acid","2020-12-16"],["7OZ","(S)-2-amino-4-fluorobutanoic acid","C4 H8 F N O2","N[CH](CCF)C(O)=O;C(CF)C(C(=O)O)N","InChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1","(2S)-2-azanyl-4-fluoranyl-butanoic acid; (2S)-2-amino-4-fluoro-butanoic Acid","2021-08-16","2024-09-27","(2~{S})-2-azanyl-4-fluoranyl-butanoic acid","2022-03-09"],["7P0","N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide","C28 H24 Cl N7 O4","O=C2Nc1ccc(cc1C(O)=C2)C(=O)NC(C(=O)NCCc3cc(Cl)ccc3n4nnnc4)Cc5ccccc5;OC1=CC(=O)Nc2ccc(cc12)C(=O)N[CH](Cc3ccccc3)C(=O)NCCc4cc(Cl)ccc4n5cnnn5;c1ccc(cc1)CC(C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O","InChI=1S/C28H24ClN7O4/c29-20-7-9-24(36-16-31-34-35-36)18(13-20)10-11-30-28(40)23(12-17-4-2-1-3-5-17)33-27(39)19-6-8-22-21(14-19)25(37)15-26(38)32-22/h1-9,13-16,23H,10-12H2,(H,30,40)(H,33,39)(H2,32,37,38)/t23-/m0/s1","","2014-02-26","2015-02-06","N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","2015-02-11"],["QRN","5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol","C16 H15 N O2 S","COc1ccc(CCc2sc3ccccc3n2)cc1O;COc1ccc(cc1O)CCc2nc3ccccc3s2","InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3","","2020-07-30","2020-12-18","5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol","2020-12-23"],["QRO","5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C13 H10 F2 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(F)c(F)c2;OC(=O)C1=C(CCc2ccc(F)c(F)c2)C(=O)NC(=O)N1;c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F","InChI=1S/C13H10F2N2O4/c14-8-4-2-6(5-9(8)15)1-3-7-10(12(19)20)16-13(21)17-11(7)18/h2,4-5H,1,3H2,(H,19,20)(H2,16,17,18,21)","","2012-11-29","2013-11-29","5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-12-04"],["7P1","2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid","C17 H18 N O8 P","c1(C(=O)O)ccccc1Nc2c(cc(cc2)OCCCP(O)(=O)O)C(=O)O;OC(=O)c1ccccc1Nc2ccc(OCCC[P](O)(O)=O)cc2C(O)=O;c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O","InChI=1S/C17H18NO8P/c19-16(20)12-4-1-2-5-14(12)18-15-7-6-11(10-13(15)17(21)22)26-8-3-9-27(23,24)25/h1-2,4-7,10,18H,3,8-9H2,(H,19,20)(H,21,22)(H2,23,24,25)","","2015-05-27","2016-05-27","2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid","2016-06-01"],["7P2","2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid","C18 H20 N O8 P","c1(C(=O)O)ccccc1Nc2c(cc(cc2)OCCCCP(O)(=O)O)C(=O)O;OC(=O)c1ccccc1Nc2ccc(OCCCC[P](O)(O)=O)cc2C(O)=O;c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O","InChI=1S/C18H20NO8P/c20-17(21)13-5-1-2-6-15(13)19-16-8-7-12(11-14(16)18(22)23)27-9-3-4-10-28(24,25)26/h1-2,5-8,11,19H,3-4,9-10H2,(H,20,21)(H,22,23)(H2,24,25,26)","","2015-05-27","2016-05-27","2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid","2016-06-01"],["QRP","(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","C16 H17 N3 O2","O=C1N4C(C(=O)NC1Cc3c2ccccc2nc3)CCC4;O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N4CCC[CH]14;c1ccc2c(c1)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3","InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1","Brevianamide F; cyclo-L-Trp-L-Pro","2010-07-27","2020-05-27","(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",""],["QRQ","2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole","C18 H19 N O3 S","COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2","InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3","","2020-07-30","2020-12-18","2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole","2020-12-23"],["7P3","2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid","C19 H22 N O8 P","c1(C(=O)O)ccccc1Nc2c(cc(cc2)OCCCCCP(O)(O)=O)C(=O)O;OC(=O)c1ccccc1Nc2ccc(OCCCCC[P](O)(O)=O)cc2C(O)=O;c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O","InChI=1S/C19H22NO8P/c21-18(22)14-6-2-3-7-16(14)20-17-9-8-13(12-15(17)19(23)24)28-10-4-1-5-11-29(25,26)27/h2-3,6-9,12,20H,1,4-5,10-11H2,(H,21,22)(H,23,24)(H2,25,26,27)","","2015-05-29","2016-05-20","2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid","2016-05-25"],["7P4","[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone","C18 H15 F4 N5 O","n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(F)c(cc3)F)=O)C4)F;Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)c(F)c3)n4ncnc4n1;Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F","InChI=1S/C18H15F4N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-13(19)14(20)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1","","2016-11-28","2017-02-17","[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone","2017-02-22"],["QRR","8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C18 H20 Cl N5 O","CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccccc3Cl;CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCCCN","InChI=1S/C18H20ClN5O/c1-21-18-22-11-12-10-14(13-6-2-3-7-15(13)19)17(25)24(16(12)23-18)9-5-4-8-20/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,22,23)","","2022-11-14","2022-11-18","8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2022-11-23"],["7P6","[(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate","C6 H13 O8 P","O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C1C(C(C(C(O1)COP(=O)(O)O)O)O)O","InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1","","2023-03-02","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate","2024-10-02"],["QRS","(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide","C24 H24 Cl2 N4 O2","O=C(NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCN(C)C1;CN1CC[CH](C1)C(=O)N[C](C)(C(=O)Nc2cncc3ccccc23)c4ccc(Cl)c(Cl)c4;CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCN(C4)C","InChI=1S/C24H24Cl2N4O2/c1-24(17-7-8-19(25)20(26)11-17,29-22(31)16-9-10-30(2)14-16)23(32)28-21-13-27-12-15-5-3-4-6-18(15)21/h3-8,11-13,16H,9-10,14H2,1-2H3,(H,28,32)(H,29,31)/t16-,24+/m0/s1","","2023-08-21","2023-11-03","(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide","2023-11-08"],["7P7","N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide","C42 H46 N6 O11 S2","c57c(C(c1ccc(c(c1)OC)OCC(NCCCCCCOc2c4c(ccc2)C(N(C3CCC(=O)NC3=O)C4=O)=O)=O)=CN(C5=O)C)sc(C(=N)NC6CCS(=O)(=O)CC6)c7;COc1cc(ccc1OCC(=O)NCCCCCCOc2cccc3C(=O)N([CH]4CCC(=O)NC4=O)C(=O)c23)C5=CN(C)C(=O)c6cc(sc56)C(=N)NC7CC[S](=O)(=O)CC7;CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OCC(=O)NCCCCCCOc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O","InChI=1S/C42H46N6O11S2/c1-47-22-28(37-27(40(47)52)21-33(60-37)38(43)45-25-14-18-61(55,56)19-15-25)24-10-12-30(32(20-24)57-2)59-23-35(50)44-16-5-3-4-6-17-58-31-9-7-8-26-36(31)42(54)48(41(26)53)29-11-13-34(49)46-39(29)51/h7-10,12,20-22,25,29H,3-6,11,13-19,23H2,1-2H3,(H2,43,45)(H,44,50)(H,46,49,51)/t29-/m0/s1","","2016-11-28","2017-09-22","N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide","2017-09-27"],["QRT","[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N3 O10 P","NC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N","InChI=1S/C10H14N3O10P/c11-8(17)3-1-5(14)12-10(18)13(3)9-7(16)6(15)4(23-9)2-22-24(19,20)21/h1,4,6-7,9,15-16H,2H2,(H2,11,17)(H,12,14,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1","","2020-07-31","2022-02-18","[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-02-23"],["QRU","(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O5","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7P8","(1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol","C14 H28 N2 O7","CN[CH]1[CH](O)[CH](NC)[CH](O)[CH](O[CH]2O[CH](C)C[CH](O)[CH]2O)[CH]1O;CC1CC(C(C(O1)OC2C(C(C(C(C2O)NC)O)NC)O)O)O","InChI=1S/C14H28N2O7/c1-5-4-6(17)9(18)14(22-5)23-13-11(20)7(15-2)10(19)8(16-3)12(13)21/h5-21H,4H2,1-3H3/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+/m1/s1","","2022-02-22","2022-12-23","(1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol","2022-12-28"],["QRV","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium","C20 H27 F N6 O8 P","c3n(C1C(C(C(COP(O)(O)=O)O1)O)F)c2c(C(NC(N)=N2)=O)[n+]3CCN(c4ccccc4)CCO;NC1=Nc2n(c[n+](CCN(CCO)c3ccccc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4F;c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)F)CCO","InChI=1S/C20H26FN6O8P/c21-14-16(29)13(10-34-36(31,32)33)35-19(14)27-11-26(15-17(27)23-20(22)24-18(15)30)7-6-25(8-9-28)12-4-2-1-3-5-12/h1-5,11,13-14,16,19,28-29H,6-10H2,(H4-,22,23,24,30,31,32,33)/p+1/t13-,14+,16-,19-/m1/s1","","2019-12-13","2020-12-04","2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium","2020-12-09"],["7P9","[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate","C19 H37 O8 P","O=C(OC(COP(=O)(O)O)COC(=O)CCCCCC)CCCCCCCC;CCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(O)=O;CCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)O","InChI=1S/C19H37O8P/c1-3-5-7-9-10-12-14-19(21)27-17(16-26-28(22,23)24)15-25-18(20)13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1","","2013-03-06","2014-09-05","(2R)-1-(heptanoyloxy)-3-(phosphonooxy)propan-2-yl nonanoate","2014-03-26"],["QRW","3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide","C24 H21 F3 N6 O","FC(F)(F)c1ccccc1CNC(=O)c4cc(NCc3nnc(c2ccncc2)n3C)ccc4;Cn1c(CNc2cccc(c2)C(=O)NCc3ccccc3C(F)(F)F)nnc1c4ccncc4;Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F","InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)","","2010-12-10","2011-06-04","3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide",""],["7PA","PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)","C3 H10 O6 P2","O=P(O)(O)CCCP(=O)(O)O;O[P](O)(=O)CCC[P](O)(O)=O;C(CP(=O)(O)O)CP(=O)(O)O","InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)","","2007-02-08","2011-06-04","propane-1,3-diylbis(phosphonic acid)",""],["7PB","N-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide","C21 H21 N5 O2","COc1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1;COc1cccc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4","InChI=1S/C21H21N5O2/c1-28-18-7-3-6-17(11-18)25-20-12-19(22-13-23-20)24-15-4-2-5-16(10-15)26-21(27)14-8-9-14/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H2,22,23,24,25)","","2021-10-12","2022-10-14","~{N}-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide","2022-10-19"],["QRX","N-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide","C24 H23 F2 N7 O","Fc1cccc(F)c1CNC(=O)c2cc(ccc2)NCc4nnc(c3ncncc3)n4CCC;CCCn1c(CNc2cccc(c2)C(=O)NCc3c(F)cccc3F)nnc1c4ccncn4;CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F","InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)","","2010-12-10","2011-06-04","N-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide",""],["QRY","4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide","C24 H23 N3 O3 S","c1(ccc(S(N)(=O)=O)cc1)CCNC(c2ccccc2)C(c4cnc3ccccc34)=O;N[S](=O)(=O)c1ccc(CCN[CH](C(=O)c2c[nH]c3ccccc23)c4ccccc4)cc1;c1ccc(cc1)C(C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N","InChI=1S/C24H23N3O3S/c25-31(29,30)19-12-10-17(11-13-19)14-15-26-23(18-6-2-1-3-7-18)24(28)21-16-27-22-9-5-4-8-20(21)22/h1-13,16,23,26-27H,14-15H2,(H2,25,29,30)/t23-/m1/s1","","2019-12-13","2020-03-27","4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide","2020-04-01"],["7PC","2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL","C18 H15 Cl N2 O2","Clc3cc(ccc3Oc2c(O)cc(c1ncccc1)cc2)CN;NCc1ccc(Oc2ccc(cc2O)c3ccccn3)c(Cl)c1;c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN","InChI=1S/C18H15ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H,11,20H2","","2007-04-25","2011-06-04","2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol",""],["7PD","2-aminopteridine-4,7(3H,8H)-dione","C6 H5 N5 O2","C2=NC=1C(=O)NC(=NC=1NC2=O)N;NC1=NC2=C(N=CC(=O)N2)C(=O)N1;C1=NC2=C(NC1=O)N=C(NC2=O)N","InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)","isoxanthopterin","2016-11-28","2021-03-01","2-aminopteridine-4,7(3H,8H)-dione","2020-12-16"],["QRZ","[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N3 O9 P S","NC(=S)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=S)N","InChI=1S/C10H14N3O9PS/c11-8(24)3-1-5(14)12-10(17)13(3)9-7(16)6(15)4(22-9)2-21-23(18,19)20/h1,4,6-7,9,15-16H,2H2,(H2,11,24)(H,12,14,17)(H2,18,19,20)/t4-,6-,7-,9-/m1/s1","","2020-07-31","2022-02-18","[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-02-23"],["QS0","N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine","C24 H27 N7 O","COc1cc(ccc1Nc2nccc(n2)c3cn(C)c4cnccc34)N5CCN(C)CC5;Cn1cc(c2c1cncc2)c3ccnc(n3)Nc4ccc(cc4OC)N5CCN(CC5)C","InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)","N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine","2022-11-14","2024-01-05","~{N}-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine","2024-01-10"],["7PE","2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL","C14 H30 O7","O(CCOCC)CCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCOCCO","InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3","POLYETHYLENE GLYCOL FRAGMENT","2005-12-28","2021-03-01","3,6,9,12,15,18-hexaoxaicosan-1-ol",""],["7PF","pentalenolactone F","C15 H18 O5","C2C3C=C(C(O)=O)C4COC(C1(CO1)C34CC2(C)C)=O;CC1(C)C[CH]2C=C([CH]3COC(=O)[C]4(CO4)[C]23C1)C(O)=O;CC1(CC2C=C(C3C2(C1)C4(CO4)C(=O)OC3)C(=O)O)C","InChI=1S/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1","(2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid","2016-08-04","2021-03-13","(2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid","2016-09-14"],["QS1","(2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide","C27 H26 N6 O","c1cc(C#N)ccc1C(CNC(c2ccccc2)C(Nc3ccc(cn3)c4cn(nc4)C)=O)C;C[CH](CN[CH](C(=O)Nc1ccc(cn1)c2cnn(C)c2)c3ccccc3)c4ccc(cc4)C#N;CC(CNC(c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N","InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1","","2019-12-13","2020-03-27","(2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide","2020-04-01"],["7PG","2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL","C17 H36 O9","O(CCOCCOC)CCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C17H36O9/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h18H,2-17H2,1H3","","2006-11-13","2011-06-04","2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol",""],["QS2","9-cis-okenone","C41 H54 O2","COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C;Cc1ccc(c(c1C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)C)C","InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22-,36-24+","","2020-07-31","2021-02-19","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E})-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,3,4-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one","2021-02-24"],["7PH","(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate","C29 H57 O8 P","O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O;CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)O","InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1","PHOSPHATIDIC ACID","2008-04-28","2021-03-01","(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate",""],["QS3","(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione","C21 H16 Cl N3 O3","Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1;CN1C(=O)N(C(=O)[C]12CCOc3ccc(Cl)cc23)c4cncc5ccccc45;CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5","InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/s1","","2023-08-21","2023-11-03","(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione","2023-11-08"],["7PI","1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole","C13 H10 N2 O2 S2","O=[S](=O)(n1cccn1)c2sc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(s2)S(=O)(=O)n3cccn3","InChI=1S/C13H10N2O2S2/c16-19(17,15-10-4-9-14-15)13-8-7-12(18-13)11-5-2-1-3-6-11/h1-10H","IMTVC-212","2022-06-02","2023-02-17","1-(5-phenylthiophen-2-yl)sulfonylpyrazole","2023-02-22"],["QS4","1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one","C17 H22 N2 O","C1CC(N(CC1)CC(c2c(C)nc3ccccc23)=O)C;C[CH]1CCCCN1CC(=O)c2c(C)[nH]c3ccccc23;Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCCC3C","InChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)11-16(20)17-13(2)18-15-9-4-3-8-14(15)17/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3/t12-/m1/s1","","2019-12-13","2020-03-27","1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one","2020-04-01"],["7PJ","[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid","C7 H7 N5 O3 S","c21c(nc(n1)SCC(O)=O)N=C(N)NC2=O;NC1=Nc2[nH]c(SCC(O)=O)nc2C(=O)N1;C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N","InChI=1S/C7H7N5O3S/c8-6-10-4-3(5(15)12-6)9-7(11-4)16-1-2(13)14/h1H2,(H,13,14)(H4,8,9,10,11,12,15)","","2016-11-28","2017-12-01","[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid","2017-12-06"],["QS5","N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide","C26 H28 N2 O5","COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4oc(C)cc4)cc3;Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC","InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)","","2015-08-24","2016-01-08","N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methyl-furan-2-carboxamide","2016-01-13"],["QS6","(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol","C11 H14 N4 O","OC1CCC(C1)Nc1ncnc2[NH]ccc21;O[CH]1CC[CH](C1)Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC3CCC(C3)O","InChI=1S/C11H14N4O/c16-8-2-1-7(5-8)15-11-9-3-4-12-10(9)13-6-14-11/h3-4,6-8,16H,1-2,5H2,(H2,12,13,14,15)/t7-,8+/m0/s1","","2022-06-14","2022-07-01","(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol","2022-07-06"],["7PK","(2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one","C14 H26 N2 O7","CN[CH]1[CH](O)[CH](NC)[CH](O)[CH](O[CH]2O[CH](C)C[CH](O)C2=O)[CH]1O;CC1CC(C(=O)C(O1)OC2C(C(C(C(C2O)NC)O)NC)O)O","InChI=1S/C14H26N2O7/c1-5-4-6(17)9(18)14(22-5)23-13-11(20)7(15-2)10(19)8(16-3)12(13)21/h5-8,10-17,19-21H,4H2,1-3H3/t5-,6+,7-,8+,10+,11+,12-,13+,14+/m1/s1","","2022-02-22","2022-12-23","(2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one","2022-12-28"],["QS7","N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide","C23 H23 Cl2 N5 O5","c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C;COc1cc(OC)c(Cl)c(c1Cl)C2=Cc3cnc(N[CH]4COC[CH]4NC(=O)C=C)nc3N(C)C2=O;CN1c2c(cnc(n2)NC3COCC3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl","InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1","","2019-12-16","2024-09-27","N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide","2020-03-25"],["7PL","N-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide","C21 H18 F3 N5 O","FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1;c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F","InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)","","2021-10-12","2022-10-14","~{N}-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide","2022-10-19"],["QS8","[[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate","C6 H11 F N2 O5 S","O[S](=O)(=O)ON[CH]1CC[CH](F)N(C1)C=O;C1CC(N(CC1NOS(=O)(=O)O)C=O)F","InChI=1S/C6H11FN2O5S/c7-6-2-1-5(3-9(6)4-10)8-14-15(11,12)13/h4-6,8H,1-3H2,(H,11,12,13)/t5-,6+/m1/s1","","2020-07-31","2024-09-27","[[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate","2021-08-11"],["7PM","(2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid","C13 H11 N5 O3 S","c1ccc(cc1)C(C(O)=O)Sc3nc2c(C(NC(N)=N2)=O)n3;NC1=Nc2[nH]c(S[CH](C(O)=O)c3ccccc3)nc2C(=O)N1;c1ccc(cc1)C(C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N","InChI=1S/C13H11N5O3S/c14-12-16-9-7(10(19)18-12)15-13(17-9)22-8(11(20)21)6-4-2-1-3-5-6/h1-5,8H,(H,20,21)(H4,14,15,16,17,18,19)/t8-/m1/s1","","2016-11-28","2017-12-01","(2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid","2017-12-06"],["7PN","N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide","C19 H14 F N O","Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34;c1cc2c3c(ccc(c3c1)NC(=O)c4ccc(cc4)F)CC2","InChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)","","2023-03-06","2024-01-12","~{N}-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide","2024-01-17"],["QSA","~{N}-methyl-2-[2-[(~{E})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide","C21 H20 N3 O S","C1=CN(C)c4ccccc4C/1=Cc2[n+](CC(NC)=O)c3c(s2)cccc3;CNC(=O)C[n+]1c(sc2ccccc12)C=C3C=CN(C)c4ccccc34;CNC(=O)C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cccc4)C","InChI=1S/C21H19N3OS/c1-22-20(25)14-24-18-9-5-6-10-19(18)26-21(24)13-15-11-12-23(2)17-8-4-3-7-16(15)17/h3-13H,14H2,1-2H3/p+1","","2019-12-16","2020-05-15","3-[2-(methylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium","2020-05-20"],["7PO","hexacosanoic acid","C26 H52 O2","CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)","","2022-02-22","2024-09-27","hexacosanoic acid","2023-03-22"],["QSB","3 bromo 4 hydroxybenzoic acid","C7 H5 Br O3","OC(=O)c1ccc(O)c(Br)c1;c1cc(c(cc1C(=O)O)Br)O","InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)","3-bromanyl-4-oxidanyl-benzoic acid","2020-07-31","2021-03-01","3-bromanyl-4-oxidanyl-benzoic acid","2020-09-16"],["QSC","(1R)-1-phenylethanamine","C8 H11 N","NC(c1ccccc1)C;C[CH](N)c1ccccc1;CC(c1ccccc1)N","InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1","","2011-12-22","2024-09-27","(1R)-1-phenylethanamine","2012-11-16"],["7PP","5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2\n-ol","C21 H24 Cl N5 O2","Clc1nc(nc2c1c(C#CCC(O)(C)C)cn2Cc3ncc(c(OC)c3C)C)N;COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C;Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O","InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)","EC44","2010-06-25","2020-06-17","5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2-ol",""],["7PQ","4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide","C24 H27 N3 O2","O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CN)cc4;NCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4;c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN","InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28)","","2012-03-29","2012-05-11","4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide",""],["QSD","(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide","C26 H24 N6 O","Cn1ncc(c1)c2cnc(cc2)NC(=O)C(c3ccccc3)NCCc4ccc(C#N)cc4;Cn1cc(cn1)c2ccc(NC(=O)[CH](NCCc3ccc(cc3)C#N)c4ccccc4)nc2;Cn1cc(cn1)c2ccc(nc2)NC(=O)C(c3ccccc3)NCCc4ccc(cc4)C#N","InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1","","2019-12-16","2020-03-27","(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide","2020-04-01"],["7PR","praseodymium triacetate","C6 H9 O6 Pr","C(=O)(C)O[Pr](OC(C)=O)OC(=O)C;CC(=O)O[Pr](OC(C)=O)OC(C)=O;CC(=O)O[Pr](OC(=O)C)OC(=O)C","InChI=1S/3C2H4O2.Pr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3","","2017-09-26","2018-01-19","praseodymium triacetate","2018-01-24"],["QSE","all-trans okenone","C41 H54 O2","COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C;Cc1ccc(c(c1C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)C)C","InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+","","2020-07-31","2021-02-19","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,3,4-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one","2021-02-24"],["7PS","2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide","C8 H10 N6 O2 S","c21c(nc(SCC(=O)NC)n1)N=C(N)NC2=O;CNC(=O)CSc1[nH]c2N=C(N)NC(=O)c2n1;CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N","InChI=1S/C8H10N6O2S/c1-10-3(15)2-17-8-11-4-5(13-8)12-7(9)14-6(4)16/h2H2,1H3,(H,10,15)(H4,9,11,12,13,14,16)","","2016-11-28","2017-12-01","2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide","2017-12-06"],["QSF","(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide","C19 H14 Cl N3 O2","Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21;C[C]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CC1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1","","2023-08-21","2023-11-03","(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide","2023-11-08"],["QSG","(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name)","C32 H48 N10 O20","N(Cc5nnn(C4C3C(C(n2nnc(CNC(C(C(C(NC1C(C(C(C(CO)O1)O)O)O)=O)O)O)=O)c2)CO3)OC4)c5)C(C(C(C(NC6C(C(C(C(CO)O6)O)O)O)=O)O)O)=O;OC[CH]1O[CH](NC(=O)[CH](O)[CH](O)C(=O)NCc2cn(nn2)[CH]3CO[CH]4[CH](CO[CH]34)n5cc(CNC(=O)[CH](O)[CH](O)C(=O)N[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)nn5)[CH](O)[CH](O)[CH]1O;c1c(nnn1C2COC3C2OCC3n4cc(nn4)CNC(=O)C(C(C(=O)NC5C(C(C(C(O5)CO)O)O)O)O)O)CNC(=O)C(C(C(=O)NC6C(C(C(C(O6)CO)O)O)O)O)O","InChI=1S/C32H48N10O20/c43-5-13-15(45)17(47)23(53)31(61-13)35-29(57)21(51)19(49)27(55)33-1-9-3-41(39-37-9)11-7-59-26-12(8-60-25(11)26)42-4-10(38-40-42)2-34-28(56)20(50)22(52)30(58)36-32-24(54)18(48)16(46)14(6-44)62-32/h3-4,11-26,31-32,43-54H,1-2,5-8H2,(H,33,55)(H,34,56)(H,35,57)(H,36,58)/t11-,12-,13+,14+,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,31+,32+/m0/s1","","2019-12-16","2020-10-23","(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name)","2020-10-28"],["7PT","pentalenolactone","C15 H16 O5","C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C;C[CH]1[CH]2C=C([CH]3COC(=O)[C]4(CO4)[C]23C=C1C)C(O)=O;CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O","InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1","(2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9\n'-carboxylic acid","2016-08-04","2020-06-17","(2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid","2016-09-14"],["QSH","3,5-bis(bromanyl)-4-oxidanyl-benzoic acid","C7 H4 Br2 O3","OC(=O)c1cc(Br)c(O)c(Br)c1;c1c(cc(c(c1Br)O)Br)C(=O)O","InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)","","2020-07-31","2020-09-11","3,5-bis(bromanyl)-4-oxidanyl-benzoic acid","2020-09-16"],["7PU","N-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide","C21 H19 F2 N5 O","FC(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1;c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)F","InChI=1S/C21H19F2N5O/c22-20(23)14-3-1-4-15(9-14)26-18-11-19(25-12-24-18)27-16-5-2-6-17(10-16)28-21(29)13-7-8-13/h1-6,9-13,20H,7-8H2,(H,28,29)(H2,24,25,26,27)","","2021-10-12","2022-10-14","~{N}-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide","2022-10-19"],["7PV","4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide","C13 H14 N6 O3 S2","c3(CCSc2nc1c(C(NC(N)=N1)=O)n2)ccc(cc3)S(N)(=O)=O;NC1=Nc2[nH]c(SCCc3ccc(cc3)[S](N)(=O)=O)nc2C(=O)N1;c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N","InChI=1S/C13H14N6O3S2/c14-12-17-10-9(11(20)19-12)16-13(18-10)23-6-5-7-1-3-8(4-2-7)24(15,21)22/h1-4H,5-6H2,(H2,15,21,22)(H4,14,16,17,18,19,20)","","2016-11-28","2017-12-01","4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide","2017-12-06"],["QSI","5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE","C15 H22 N8 O8 S","O=C(N)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CCC(N)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)N)N)O)O)N","InChI=1S/C15H22N8O8S/c16-6(1-2-8(17)24)14(27)22-32(28,29)30-3-7-10(25)11(26)15(31-7)23-5-21-9-12(18)19-4-20-13(9)23/h4-7,10-11,15,25-26H,1-3,16H2,(H2,17,24)(H,22,27)(H2,18,19,20)/t6-,7+,10+,11+,15+/m0/s1","","1999-07-08","2011-06-04","5'-O-(L-glutaminylsulfamoyl)adenosine",""],["7PW","N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","C32 H22 F3 N5 O2","Fc1ccc(cc1)c1cc(F)c(c(F)c1)C(Cn1ccnc1)NC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1;Fc1ccc(cc1)c2cc(F)c([CH](Cn3ccnc3)NC(=O)c4ccc(cc4)c5oc(nn5)c6ccccc6)c(F)c2;c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F","InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1","","2021-08-17","2021-11-19","N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","2021-11-24"],["QSJ","(3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one","C20 H20 Cl N O4","c2(N1CC(C(C1=O)O)O)cc(c(c(c2)[C@H]=[C@H]c3ccc(cc3)Cl)OC)C;COc1c(C)cc(cc1C=Cc2ccc(Cl)cc2)N3C[CH](O)[CH](O)C3=O;Cc1cc(cc(c1OC)C=Cc2ccc(cc2)Cl)N3CC(C(C3=O)O)O","InChI=1S/C20H20ClNO4/c1-12-9-16(22-11-17(23)18(24)20(22)25)10-14(19(12)26-2)6-3-13-4-7-15(21)8-5-13/h3-10,17-18,23-24H,11H2,1-2H3/b6-3+/t17-,18-/m1/s1","","2019-12-16","2020-06-19","(3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one","2020-06-24"],["7PX","(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide","C29 H33 F N4 O3","CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccccc3)NC(=O)[CH]4C[CH](F)CN4;CC(C)C(=O)N1CC(CC1C(=O)NCc2ccc(cc2)C#Cc3ccccc3)NC(=O)C4CC(CN4)F","InChI=1S/C29H33FN4O3/c1-19(2)29(37)34-18-24(33-27(35)25-14-23(30)17-31-25)15-26(34)28(36)32-16-22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-13,19,23-26,31H,14-18H2,1-2H3,(H,32,36)(H,33,35)/t23-,24+,25-,26+/m0/s1","","2021-08-17","2023-05-15","(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide","2022-09-07"],["QSK","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid","C10 H13 F3 N3 O7 P","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[PH](O)=O)[CH](O)[CH]2OC(F)(F)F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)O)O)OC(F)(F)F","InChI=1S/C10H13F3N3O7P/c11-10(12,13)23-7-6(17)4(3-21-24(19)20)22-8(7)16-2-1-5(14)15-9(16)18/h1-2,4,6-8,17,24H,3H2,(H,19,20)(H2,14,15,18)/t4-,6-,7-,8-/m1/s1","","2020-07-31","2020-12-11","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid","2020-12-16"],["QSL","3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione","C10 H12 N4 O2 S","O=S1(=O)CC(CNc2ncnc3[NH]ccc23)C1;O=[S]1(=O)CC(CNc2ncnc3[nH]ccc23)C1;c1c[nH]c2c1c(ncn2)NCC3CS(=O)(=O)C3","InChI=1S/C10H12N4O2S/c15-17(16)4-7(5-17)3-12-10-8-1-2-11-9(8)13-6-14-10/h1-2,6-7H,3-5H2,(H2,11,12,13,14)","","2022-06-14","2022-07-01","3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione","2022-07-06"],["7PY","7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE","C20 H19 N5 O3","n1cc3c(nc1Nc2cc(OC)c(OC)c(OC)c2)n(cc3)c4ncccc4;COc1cc(Nc2ncc3ccn(c4ccccn4)c3n2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4","InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)","","2005-11-09","2011-06-04","7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine",""],["7PZ","1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C33 H56 N10 O5","CC(C)[CH]1NC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC1=O)c2)NC(N)=N;CC(C)C1C(=O)NCc2cccc(c2)CC(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=N)N)CCCCN)CCCCN","InChI=1S/C33H56N10O5/c1-21(2)28-32(48)39-20-23-11-9-10-22(18-23)19-27(44)40-25(13-4-7-16-35)30(46)41-24(12-3-6-15-34)29(45)38-17-8-5-14-26(31(47)43-28)42-33(36)37/h9-11,18,21,24-26,28H,3-8,12-17,19-20,34-35H2,1-2H3,(H,38,45)(H,39,48)(H,40,44)(H,41,46)(H,43,47)(H4,36,37,42)/t24-,25-,26+,28+/m0/s1","","2021-10-12","2022-08-05","1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2022-08-10"],["QSM","2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole","C24 H30 N2 O2","N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC)c2C(C)C)cc3)CC4;COc1ccc(cc1OC)c2[nH]c3ccc(cc3c2C(C)C)C4CCNCC4;CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4","InChI=1S/C24H30N2O2/c1-15(2)23-19-13-17(16-9-11-25-12-10-16)5-7-20(19)26-24(23)18-6-8-21(27-3)22(14-18)28-4/h5-8,13-16,25-26H,9-12H2,1-4H3","","2019-12-17","2020-08-07","2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole","2020-08-12"],["7Q0","N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide","C19 H15 F N2 O","Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23;c1cc2c3c(c1)c(c(cc3CC2)N)NC(=O)c4ccc(cc4)F","InChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23)","","2023-03-06","2024-01-12","~{N}-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide","2024-01-17"],["QSN","N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide","C12 H10 N6 O6 S","[O-][N+](=O)c2c(n1ccnc1)cc3C(=O)N(C(=O)Nc3c2)NS(=O)(=O)C;C[S](=O)(=O)NN1C(=O)Nc2cc(c(cc2C1=O)n3ccnc3)[N+]([O-])=O;CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3","InChI=1S/C12H10N6O6S/c1-25(23,24)15-17-11(19)7-4-9(16-3-2-13-6-16)10(18(21)22)5-8(7)14-12(17)20/h2-6,15H,1H3,(H,14,20)","","2011-03-29","2011-06-04","N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide",""],["QSO","5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one","C16 H12 O5","O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O;COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O;COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O","InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3","Biochanin A","2007-09-26","2020-06-17","5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one",""],["7Q1","(5R)-5-phenyl-1,3-oxazolidine-2,4-dione","C9 H7 N O3","c1ccc(cc1)C2OC(NC2=O)=O;O=C1NC(=O)[CH](O1)c2ccccc2;c1ccc(cc1)C2C(=O)NC(=O)O2","InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1","","2016-11-29","2017-08-25","(5R)-5-phenyl-1,3-oxazolidine-2,4-dione","2017-08-30"],["QSP","(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid","C16 H27 N4 O13 P3 S","Cc1ncc(CN2[CH](SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)[C](O)(CCC(O)=O)[P](O)(O)=O)c(N)n1;Cc1ncc(c(n1)N)CN2C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)C(CCC(=O)O)(O)P(=O)(O)O","InChI=1S/C16H27N4O13P3S/c1-9-12(4-6-32-36(30,31)33-35(27,28)29)37-15(16(23,34(24,25)26)5-3-13(21)22)20(9)8-11-7-18-10(2)19-14(11)17/h7,15,23H,3-6,8H2,1-2H3,(H,21,22)(H,30,31)(H2,17,18,19)(H2,24,25,26)(H2,27,28,29)/t15-,16+/m1/s1","","2019-03-16","2019-09-06","(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid","2019-09-11"],["7Q2","(3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione","C21 H32 N2 O3","C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN;CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C","InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1","Istaroxime","2022-02-24","2022-04-22","(3~{E},5~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione","2022-04-27"],["7Q3","1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine","C25 H47 N11 O6","NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N;C1CCNC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C1)NC(=N)N)CCCCN)CCCCN","InChI=1S/C25H47N11O6/c26-10-4-1-7-16-22(40)30-12-6-3-9-17(36-25(28)29)23(41)33-14-20(38)31-13-19(37)32-15-21(39)34-18(24(42)35-16)8-2-5-11-27/h16-18H,1-15,26-27H2,(H,30,40)(H,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,42)(H4,28,29,36)/t16-,17+,18+/m0/s1","","2021-10-12","2022-08-05","1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine","2022-08-10"],["QSQ","[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite","C11 H13 F3 N5 O6 P","Nc1ncnc2n(cnc12)[CH]3O[CH](COP(O)O)[CH](O)[CH]3OC(F)(F)F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(O)O)O)OC(F)(F)F)N","InChI=1S/C11H13F3N5O6P/c12-11(13,14)25-7-6(20)4(1-23-26(21)22)24-10(7)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-22H,1H2,(H2,15,16,17)/t4-,6-,7-,10-/m1/s1","","2020-07-31","2020-12-11","[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite","2020-12-16"],["QSR","(9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip\nhosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate","C81 H150 O17 P2","O=C(OC(COC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1","tetraoleyl-cardiolipin","2019-12-20","2020-06-17","(9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate","2020-03-18"],["7Q5","methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate","C30 H26 F3 N O7 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(C=C/C(=O)OC)cc1;COC(=O)C=Cc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;COC(=O)C=Cc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C30H26F3NO7S/c1-40-26(37)15-4-18-2-9-21(10-3-18)34(17-30(31,32)33)42(38,39)25-16-24-27(19-5-11-22(35)12-6-19)28(29(25)41-24)20-7-13-23(36)14-8-20/h2-15,24-25,29,35-36H,16-17H2,1H3/t24-,25+,29+/m0/s1","","2021-08-17","2021-09-03","methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate","2021-09-08"],["QSS","2-(4-methylpiperazin-1-yl)aniline","C11 H17 N3","c1cccc(c1N2CCN(C)CC2)N;CN1CCN(CC1)c2ccccc2N;CN1CCN(CC1)c2ccccc2N","InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3","","2019-12-17","2020-04-24","2-(4-methylpiperazin-1-yl)aniline","2020-04-29"],["7Q6","[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate","C10 H16 N5 O12 P3 Se","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)[SeH])O)N=C(NC2=O)N","InChI=1S/C10H16N5O12P3Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-30(23,31)27-29(21,22)26-28(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,31)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,30+/m0/s1","","2023-03-08","2024-01-05","[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate","2024-01-10"],["7Q7","2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine","C23 H20 N4 O3","COc1c(c(OC)cc(c1)c2nccc3c2nc(n3)c4cccc5c4ccn5)OC;COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5[nH]ccc45;COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5","InChI=1S/C23H20N4O3/c1-28-18-11-13(12-19(29-2)22(18)30-3)20-21-17(8-10-25-20)26-23(27-21)15-5-4-6-16-14(15)7-9-24-16/h4-12,24H,1-3H3,(H,26,27)","","2016-11-29","2017-12-08","2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine","2017-12-13"],["QST","(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid","C10 H17 N O4 S2","CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1;CCOC(=O)C1(NC(C(S1)(C)C)C(=O)O)CS","InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10+/m0/s1","","2020-08-03","2021-01-15","(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid","2021-01-20"],["7Q8","16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine","C13 H13 Cl In N4 S","CN(C)C(=NN=Cc1ccc2ccccc2n1)S[In]Cl;CN(C)C1=N[N]2=CC3=CC=C4C=CC=CC4=[N]3[In]2(S1)Cl","InChI=1S/C13H14N4S.ClH.In/c1-17(2)13(18)16-14-9-11-8-7-10-5-3-4-6-12(10)15-11;;/h3-9H,1-2H3,(H,16,18);1H;/q;;+2/p-2/b14-9+;;","","2022-02-24","2023-02-17","16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine","2023-02-22"],["QSV","(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)","C20 H24 N8 S","N(/NC(NC)=N)=C(/C)c1ccc3c(c1)c2cc(ccc2s3)C(=NN/C(NC)=N)C;CNC(=N)NN=C(C)c1ccc2sc3ccc(cc3c2c1)C(C)=NNC(=N)NC;CC(=NNC(=N)NC)c1ccc2c(c1)c3cc(ccc3s2)C(=NNC(=N)NC)C","InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+","","2019-12-17","2020-05-15","(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)","2020-05-20"],["QSW","(4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide","C12 H13 F O2 S","Fc1ccc2[CH](CC[S](=O)(=O)c2c1)C3CC3;c1cc2c(cc1F)S(=O)(=O)CCC2C3CC3","InChI=1S/C12H13FO2S/c13-9-3-4-11-10(8-1-2-8)5-6-16(14,15)12(11)7-9/h3-4,7-8,10H,1-2,5-6H2/t10-/m1/s1","BPAM549","2020-08-03","2021-08-06","(4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide","2021-08-11"],["7Q9","[(2~{R})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{Z})-octadec-9-enoate","C29 H57 N O8 P","C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)OC(=O)CC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC","InChI=1S/C29H56NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(32)35-25-27(38-28(31)7-2)26-37-39(33,34)36-24-23-30(3,4)5/h14-15,27H,6-13,16-26H2,1-5H3/p+1/b15-14-/t27-/m1/s1","","2021-08-17","2021-09-17","(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-7-(propanoyloxy)-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium","2021-09-22"],["7QA","(2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid","C11 H19 N3 O7","C(CCCC(C(NC(C)C(O)=O)=O)NC(O)=O)(C(O)=O)N;C[CH](NC(=O)[CH](CCC[CH](N)C(O)=O)NC(O)=O)C(O)=O;CC(C(=O)O)NC(=O)C(CCCC(C(=O)O)N)NC(=O)O","InChI=1S/C11H19N3O7/c1-5(9(16)17)13-8(15)7(14-11(20)21)4-2-3-6(12)10(18)19/h5-7,14H,2-4,12H2,1H3,(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t5-,6-,7+/m1/s1","","2016-11-29","2017-01-06","(2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid","2017-01-11"],["QSX","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C27 H27 Cl N4 O3","CN1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;CN1C[CH]2C[CH]1CN2C(=O)C[C]3(CCOc4ccc(Cl)cc34)C(=O)Nc5cncc6ccccc56;CN1CC2CC1CN2C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6","InChI=1S/C27H27ClN4O3/c1-31-15-20-11-19(31)16-32(20)25(33)12-27(8-9-35-24-7-6-18(28)10-22(24)27)26(34)30-23-14-29-13-17-4-2-3-5-21(17)23/h2-7,10,13-14,19-20H,8-9,11-12,15-16H2,1H3,(H,30,34)/t19-,20-,27-/m0/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["QSY","N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium","C21 H29 N4 O2","c4(ccc3nc1c(N=CN(C1=O)CCC[NH+](C2CCCCC2)C)c3c4)OC;COc1ccc2[nH]c3C(=O)N(CCC[NH+](C)C4CCCCC4)C=Nc3c2c1;C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4","InChI=1S/C21H28N4O2/c1-24(15-7-4-3-5-8-15)11-6-12-25-14-22-19-17-13-16(27-2)9-10-18(17)23-20(19)21(25)26/h9-10,13-15,23H,3-8,11-12H2,1-2H3/p+1","","2019-12-17","2020-05-15","N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium","2020-05-20"],["7QB","(2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide","C50 H59 F3 N10 O6 S","CNC(=O)c1ccccc1Nc2cc(Nc3ccc(cc3OC)N4CCN(CC4)CC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)N[CH](C)c6ccc(cc6)c7scnc7C)C(C)(C)C)ncc2C(F)(F)F;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O","InChI=1S/C50H59F3N10O6S/c1-29(31-12-14-32(15-13-31)44-30(2)56-28-70-44)57-47(67)40-23-34(64)26-63(40)48(68)45(49(3,4)5)60-43(65)27-61-18-20-62(21-19-61)33-16-17-38(41(22-33)69-7)59-42-24-39(36(25-55-42)50(51,52)53)58-37-11-9-8-10-35(37)46(66)54-6/h8-17,22,24-25,28-29,34,40,45,64H,18-21,23,26-27H2,1-7H3,(H,54,66)(H,57,67)(H,60,65)(H2,55,58,59)/t29-,34+,40-,45+/m0/s1","(2S,4R)-1-[(2S)-2-[2-[4-[3-methoxy-4-[[4-[[2-(methylcarbamoyl)phenyl]amino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethanoylamino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2021-08-19","2021-09-24","(2~{S},4~{R})-1-[(2~{S})-2-[2-[4-[3-methoxy-4-[[4-[[2-(methylcarbamoyl)phenyl]amino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2021-09-29"],["7QC","4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile","C20 H20 N4 O2","COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N;Cn1cnc(c1c2ccc(cc2)C#N)c3c(cc(cc3OC)CN)OC","InChI=1S/C20H20N4O2/c1-24-12-23-19(20(24)15-6-4-13(10-21)5-7-15)18-16(25-2)8-14(11-22)9-17(18)26-3/h4-9,12H,11,22H2,1-3H3","","2021-10-13","2022-07-01","4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile","2022-07-06"],["QSZ","(4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide","C12 H13 F O2 S","Fc1ccc2[CH](CC[S](=O)(=O)c2c1)C3CC3;c1cc2c(cc1F)S(=O)(=O)CCC2C3CC3","InChI=1S/C12H13FO2S/c13-9-3-4-11-10(8-1-2-8)5-6-16(14,15)12(11)7-9/h3-4,7-8,10H,1-2,5-6H2/t10-/m0/s1","BPAM549","2020-08-03","2021-08-06","(4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide","2021-08-11"],["7QD","(2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid","C7 H8 O8","O=C(CC(CC(O)=O)(C(=O)O)O)C(=O)O;OC(=O)C[C](O)(CC(=O)C(O)=O)C(O)=O;C(C(=O)C(=O)O)C(CC(=O)O)(C(=O)O)O","InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1","","2016-11-29","2018-09-21","(2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid","2018-09-26"],["QT0","5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one","C17 H15 F N6 O2","O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]c3cc(F)ccc3c21;Fc1ccc2c([nH]c3ncnc(N4CCC[CH](C4)C5=NNC(=O)O5)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)C5=NNC(=O)O5","InChI=1S/C17H15FN6O2/c18-10-3-4-11-12(6-10)21-14-13(11)15(20-8-19-14)24-5-1-2-9(7-24)16-22-23-17(25)26-16/h3-4,6,8-9H,1-2,5,7H2,(H,23,25)(H,19,20,21)/t9-/m1/s1","","2022-06-14","2022-07-01","5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one","2022-07-06"],["7QE","(2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid","C3 H2 F3 N O3","FC(F)(F)C(=NO)/C(O)=O;ON=C(C(O)=O)C(F)(F)F;C(=NO)(C(=O)O)C(F)(F)F","InChI=1S/C3H2F3NO3/c4-3(5,6)1(7-10)2(8)9/h10H,(H,8,9)/b7-1-","","2021-08-17","2021-11-12","(2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid","2021-11-17"],["QT1","~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C26 H20 N8 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C#N)nc(nc12)c5cccnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C#N","InChI=1S/C26H20N8O/c1-16-8-9-18(26(35)30-20-7-3-5-17(11-20)13-27)12-22(16)31-24-21-15-29-34(2)25(21)33-23(32-24)19-6-4-10-28-14-19/h3-12,14-15H,1-2H3,(H,30,35)(H,31,32,33)","","2022-11-14","2024-05-31","~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2024-06-05"],["7QF","2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile","C17 H17 N3 O","Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3;c1cc(cc(c1)C2CNCCO2)c3ccc(c(c3)C#N)N","InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1","","2021-08-19","2023-05-15","2-azanyl-5-[3-[(2~{R})-morpholin-2-yl]phenyl]benzenecarbonitrile","2022-09-21"],["QT2","(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid","C10 H17 N O4 S2","CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1;CCOC(=O)C1(NC(C(S1)(C)C)C(=O)O)CS","InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10-/m1/s1","","2020-08-04","2021-01-15","(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid","2021-01-20"],["QT3","(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide","C20 H18 Cl N3 O","Clc1ccc2CCN(C)C(c2c1)C(=O)Nc1cncc2ccccc21;CN1CCc2ccc(Cl)cc2[CH]1C(=O)Nc3cncc4ccccc34;CN1CCc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C20H18ClN3O/c1-24-9-8-13-6-7-15(21)10-17(13)19(24)20(25)23-18-12-22-11-14-4-2-3-5-16(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,23,25)/t19-/m1/s1","","2023-08-21","2023-11-03","(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide","2023-11-08"],["7QG","1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine","C26 H49 N11 O6","NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)CCNC(=O)CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N;C1CCNC(=O)C(NC(=O)C(NC(=O)CCNC(=O)CNC(=O)CNC(=O)C(C1)NC(=N)N)CCCCN)CCCCN","InChI=1S/C26H49N11O6/c27-11-4-1-7-17-23(41)32-13-6-3-9-18(37-26(29)30)24(42)34-16-22(40)33-15-21(39)31-14-10-20(38)35-19(25(43)36-17)8-2-5-12-28/h17-19H,1-16,27-28H2,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)(H,36,43)(H4,29,30,37)/t17-,18+,19-/m0/s1","","2021-10-13","2022-08-05","1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine","2022-08-10"],["QT4","~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide","C14 H17 B F2 N3 O","CC(=O)NCc1ccc2Cc3n(c(C)cc3C)[B](F)(F)n12;B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F","InChI=1S/C14H17BF2N3O/c1-9-6-10(2)19-14(9)7-12-4-5-13(8-18-11(3)21)20(12)15(19,16)17/h4-6H,7-8H2,1-3H3,(H,18,21)","","2019-12-17","2024-09-27","~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide","2020-05-06"],["7QH","(2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid","C4 H4 F3 N3 O3","O=C(N)NN=C(/C(=O)O)C(F)(F)F;NC(=O)NN=C(C(O)=O)C(F)(F)F;C(=NNC(=O)N)(C(=O)O)C(F)(F)F","InChI=1S/C4H4F3N3O3/c5-4(6,7)1(2(11)12)9-10-3(8)13/h(H,11,12)(H3,8,10,13)/b9-1+","","2021-08-26","2021-11-12","(2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid","2021-11-17"],["QT5","[3-(2-methylimidazol-1-yl)phenyl]methanamine","C11 H13 N3","Cc1nccn1c2cccc(CN)c2;Cc1nccn1c2cccc(c2)CN","InChI=1S/C11H13N3/c1-9-13-5-6-14(9)11-4-2-3-10(7-11)8-12/h2-7H,8,12H2,1H3","","2020-08-05","2021-04-02","[3-(2-methylimidazol-1-yl)phenyl]methanamine","2021-04-07"],["7QI","2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile","C17 H17 N3 O","Nc1ccc(cc1C#N)c2cccc(c2)[CH]3COCCN3;c1cc(cc(c1)C2COCCN2)c3ccc(c(c3)C#N)N","InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-21-7-6-20-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1","","2021-08-19","2023-05-15","2-azanyl-5-[3-[(3~{R})-morpholin-3-yl]phenyl]benzenecarbonitrile","2022-09-21"],["7QJ","3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid","C18 H18 F3 N3 O3","CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c2cccc3CCCc23;CN(c1cccc2c1CCC2)c3cc(nc(n3)OCCC(=O)O)C(F)(F)F","InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)","","2023-07-12","2024-02-02","3-[4-[2,3-dihydro-1~{H}-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid","2024-02-07"],["QT6","3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid","C18 H19 F N4 O2","O=C(O)CCC1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)CC[CH]1CCCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)CCC(=O)O","InChI=1S/C18H19FN4O2/c19-12-4-5-13-14(8-12)22-17-16(13)18(21-10-20-17)23-7-1-2-11(9-23)3-6-15(24)25/h4-5,8,10-11H,1-3,6-7,9H2,(H,24,25)(H,20,21,22)/t11-/m0/s1","","2022-06-14","2022-07-01","3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid","2022-07-06"],["7QK","N~6~-acetyl-N~6~-methyl-L-lysine","C9 H18 N2 O3","NC(CCCCN(C)C(C)=O)C(=O)O;CN(CCCC[CH](N)C(O)=O)C(C)=O;CC(=O)N(C)CCCCC(C(=O)O)N","InChI=1S/C9H18N2O3/c1-7(12)11(2)6-4-3-5-8(10)9(13)14/h8H,3-6,10H2,1-2H3,(H,13,14)/t8-/m0/s1","","2021-08-17","2024-09-27","N~6~-acetyl-N~6~-methyl-L-lysine","2023-07-26"],["QT7","2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide","C11 H20 Cl N O3 S","N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O;CC(C)(C)CN([CH]1CC[S](=O)(=O)C1)C(=O)CCl;CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl","InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1","","2019-12-18","2024-09-27","2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide","2020-12-30"],["QT8","3-oxidanylidenepentanoic acid","C5 H8 O3","CCC(=O)CC(O)=O;CCC(=O)CC(=O)O","InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)","3-oxovalerate","2020-08-05","2020-10-02","3-oxidanylidenepentanoic acid","2020-10-07"],["7QL","5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile","C19 H21 N3 O","NCC1(CCOCC1)c2cccc(c2)c3ccc(N)c(c3)C#N;c1cc(cc(c1)C2(CCOCC2)CN)c3ccc(c(c3)C#N)N","InChI=1S/C19H21N3O/c20-12-16-10-15(4-5-18(16)22)14-2-1-3-17(11-14)19(13-21)6-8-23-9-7-19/h1-5,10-11H,6-9,13,21-22H2","","2021-08-19","2023-05-15","5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile","2022-09-21"],["QT9","2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one","C31 H34 N8 O3","COc1ccccc1N2N(c3cccc(n3)C(C)(C)O)c4nc(Nc5ccc(cc5)N6CCN(C)CC6)ncc4C2=O;CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2c6ccccc6OC)O","InChI=1S/C31H34N8O3/c1-31(2,41)26-10-7-11-27(34-26)39-28-23(29(40)38(39)24-8-5-6-9-25(24)42-4)20-32-30(35-28)33-21-12-14-22(15-13-21)37-18-16-36(3)17-19-37/h5-15,20,41H,16-19H2,1-4H3,(H,32,33,35)","","2022-11-14","2023-05-26","2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one","2023-05-31"],["7QM","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside","C19 H39 N5 O10","C3(O)C(OC1C(C(C(CC1N)N)OC2OC(CN)C(C(C2N)O)O)O)OC(CO)C(C3NC)O;CN[CH]1[CH](O)[CH](CO)O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O)[CH]1O;CNC1C(C(OC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)N)N)N)CO)O","InChI=1S/C19H39N5O10/c1-24-10-11(26)8(4-25)32-19(14(10)29)34-17-6(22)2-5(21)16(15(17)30)33-18-9(23)13(28)12(27)7(3-20)31-18/h5-19,24-30H,2-4,20-23H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14+,15-,16+,17-,18+,19+/m0/s1","","2016-11-30","2017-10-27","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside","2017-11-01"],["7QN","(E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid","C23 H27 N O3","CC(C)CN1CCc2c(C)c(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3;Cc1c(ccc2c1CCN(C2c3ccc(cc3)C=CC(=O)O)CC(C)C)O","InChI=1S/C23H27NO3/c1-15(2)14-24-13-12-19-16(3)21(25)10-9-20(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,15,23,25H,12-14H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1","","2015-12-14","2016-02-05","(E)-3-[4-[(1R)-5-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid","2016-02-10"],["QTA","3-(phenylsulfonyl)benzene-1-sulfonamide","C12 H11 N O4 S2","c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O)=O;N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N","InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17)","","2019-12-18","2020-12-11","3-(phenylsulfonyl)benzene-1-sulfonamide","2020-12-16"],["7QO","(2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","C10 H13 N3 O7","NC1=NC(=O)N(C=C1)[CH]2O[CH]([CH](O)[CH](O)[CH]2O)C(O)=O;C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(=O)O)O)O)O","InChI=1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1","","2021-10-14","2022-04-29","(2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2022-05-04"],["QTB","(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one","C18 H28 O","C[CH]1CCCC(C)(C)[CH]1C=CC(C)=CC=CC(C)=O;CC1CCCC(C1C=CC(=CC=CC(=O)C)C)(C)C","InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,15,17H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+/t15-,17+/m1/s1","","2020-08-06","2021-07-23","(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one","2021-07-28"],["7QP","(1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid","C16 H25 N2 O7 P","Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O;C[CH]1CC[CH](C[CH]1NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CC(CCC2C)C(=O)O)O","InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11-,14+/m1/s1","","2021-08-17","2024-09-27","(1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid","2021-08-25"],["QTC","2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide","C19 H17 Cl N2 O","CCc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21;CCc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1;CCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3","InChI=1S/C19H17ClN2O/c1-2-13-7-14(9-16(20)8-13)10-19(23)22-18-12-21-11-15-5-3-4-6-17(15)18/h3-9,11-12H,2,10H2,1H3,(H,22,23)","","2023-08-21","2023-11-03","2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["7QQ","N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide","C10 H10 N2 O2 S","COc1ccc2sc(NC(C)=O)nc2c1;CC(=O)Nc1nc2cc(ccc2s1)OC","InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)","","2015-06-08","2016-06-24","N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide","2016-06-29"],["QTD","4-phenoxybenzene-1-sulfonamide","C12 H11 N O3 S","c2(Oc1ccc(S(N)(=O)=O)cc1)ccccc2;N[S](=O)(=O)c1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)","","2019-12-18","2020-08-21","4-phenoxybenzene-1-sulfonamide","2020-08-26"],["QTE","methylcyclohexane","C7 H14","CC1CCCCC1;CC1CCCCC1","InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3","","2020-08-06","2020-11-13","methylcyclohexane","2020-11-18"],["7QR","6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile","C13 H14 Cl N3","Nc1ccc(C=C2CCCNC2)c(Cl)c1C#N;c1cc(c(c(c1C=C2CCCNC2)Cl)C#N)N","InChI=1S/C13H14ClN3/c14-13-10(3-4-12(16)11(13)7-15)6-9-2-1-5-17-8-9/h3-4,6,17H,1-2,5,8,16H2/b9-6-","","2021-08-19","2023-05-15","6-azanyl-2-chloranyl-3-[(~{Z})-piperidin-3-ylidenemethyl]benzenecarbonitrile","2022-09-21"],["QTF","(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H16 F2 N4 O2","O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC5(CCC5)C(C4)(C(=O)O)F","InChI=1S/C18H16F2N4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m1/s1","","2022-06-14","2022-07-01","(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["7QS","(5R)-5-phenyl-1,3-thiazolidine-2,4-dione","C9 H7 N O2 S","c1ccc(cc1)C2C(NC(=O)S2)=O;O=C1NC(=O)[CH](S1)c2ccccc2;c1ccc(cc1)C2C(=O)NC(=O)S2","InChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1","","2016-11-30","2017-08-25","(5R)-5-phenyl-1,3-thiazolidine-2,4-dione","2017-08-30"],["7QT","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","C11 H16 F N5 O10 P2","C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;CC1(C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O)F","InChI=1S/C11H16FN5O10P2/c1-11(12)6(18)4(2-25-29(23,24)27-28(20,21)22)26-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1","AT-8500","2023-07-12","2024-07-26","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","2024-07-31"],["QTG","4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide","C10 H14 F N O2 S","c1c(c(cc(c1)F)C)S(NCCC)(=O)=O;CCCN[S](=O)(=O)c1ccc(F)cc1C;CCCNS(=O)(=O)c1ccc(cc1C)F","InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3","","2019-12-18","2020-08-21","4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide","2020-08-26"],["7QU","1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one","C22 H26 Cl N7 O","Clc1ccc(cc1N)c1cn(C2CC(C2)N2CCN(CC2)C(C)=O)c2ncnc(N)c21;CC(=O)N1CCN(CC1)[CH]2C[CH](C2)n3cc(c4ccc(Cl)c(N)c4)c5c(N)ncnc35;CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl","InChI=1S/C22H26ClN7O/c1-13(31)28-4-6-29(7-5-28)15-9-16(10-15)30-11-17(14-2-3-18(23)19(24)8-14)20-21(25)26-12-27-22(20)30/h2-3,8,11-12,15-16H,4-7,9-10,24H2,1H3,(H2,25,26,27)/t15-,16+","","2021-08-18","2022-01-14","1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one","2022-01-19"],["QTH","1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine","C22 H23 N2","C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2;c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4","InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1","","2020-08-06","2020-09-04","1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridin-1-ium","2020-09-09"],["QTI","3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide","C21 H22 F N3 O4 S3","N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F;c1ccc(c(c1)c2ccc(s2)CN3CCN(CC3)S(=O)(=O)c4cccc(c4)S(=O)(=O)N)F","InChI=1S/C21H22FN3O4S3/c22-20-7-2-1-6-19(20)21-9-8-16(30-21)15-24-10-12-25(13-11-24)32(28,29)18-5-3-4-17(14-18)31(23,26)27/h1-9,14H,10-13,15H2,(H2,23,26,27)","","2022-11-14","2023-11-17","3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide","2023-11-22"],["7QV","(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione","C11 H11 N O5","c2c(C1C(NC(O1)=O)=O)c(cc(c2)OC)OC;COc1ccc([CH]2OC(=O)NC2=O)c(OC)c1;COc1ccc(c(c1)OC)C2C(=O)NC(=O)O2","InChI=1S/C11H11NO5/c1-15-6-3-4-7(8(5-6)16-2)9-10(13)12-11(14)17-9/h3-5,9H,1-2H3,(H,12,13,14)/t9-/m1/s1","","2016-11-30","2017-08-25","(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione","2017-08-30"],["7QW","6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one","C20 H21 N3 O","N[CH]1CCN(C1)Cc2cccc(c2)c3ccc4c(O)nccc4c3;c1cc(cc(c1)c2ccc3c(c2)ccnc3O)CN4CCC(C4)N","InChI=1S/C20H21N3O/c21-18-7-9-23(13-18)12-14-2-1-3-15(10-14)16-4-5-19-17(11-16)6-8-22-20(19)24/h1-6,8,10-11,18H,7,9,12-13,21H2,(H,22,24)/t18-/m1/s1","","2021-08-20","2022-09-16","6-[3-[(3-azanylpyrrolidin-1-yl)methyl]phenyl]isoquinolin-1-ol","2022-09-21"],["QTJ","4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide","C12 H9 Cl F N O3 S","NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O;N[S](=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1;c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N","InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)","","2019-12-18","2020-08-21","4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide","2020-08-26"],["QTK","1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium","C16 H19 N2","C1CCN(C1)c2cc[n+](Cc3ccccc3)cc2;c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3","InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1","","2020-08-07","2020-09-04","1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium","2020-09-09"],["7QX","(3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion","C12 H22 N2 O4","CC[CH](C)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O;CCC(C)C1C(=O)NC(C(=O)N1)CC(C)(CO)O","InChI=1S/C12H22N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h7-9,15,18H,4-6H2,1-3H3,(H,13,17)(H,14,16)/t7-,8-,9-,12+/m0/s1","","2021-10-14","2023-02-10","(3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dione","2023-02-15"],["QTL","(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide","C19 H16 Cl N3 O","Clc1ccc2CCNC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CCN[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4CCN3)Cl","InChI=1S/C19H16ClN3O/c20-14-6-5-12-7-8-22-18(16(12)9-14)19(24)23-17-11-21-10-13-3-1-2-4-15(13)17/h1-6,9-11,18,22H,7-8H2,(H,23,24)/t18-/m1/s1","","2023-08-21","2023-11-03","(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide","2023-11-08"],["7QY","(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione","C12 H13 N O4 S","c1cc(cc(c1CC2C(NC(S2)=O)=O)OC)OC;COc1ccc(C[CH]2SC(=O)NC2=O)c(OC)c1;COc1ccc(c(c1)OC)CC2C(=O)NC(=O)S2","InChI=1S/C12H13NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,15)/t10-/m1/s1","","2016-11-30","2017-08-25","(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione","2017-08-30"],["QTM","3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide","C14 H14 Cl F N2 O3 S","NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F;NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O;c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F","InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)","","2019-12-18","2020-08-21","3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide","2020-08-26"],["7QZ","N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide","C35 H29 F4 N7 O4 S","Fc1ccccc1NC(=O)NC1=CC(=CN(C)C1=O)c1cc2c(ccn2C(C)(c2ccccn2)c2ccccn2)c(c1)NS(=O)(=O)CC(F)(F)F;CN1C=C(C=C(NC(=O)Nc2ccccc2F)C1=O)c3cc(N[S](=O)(=O)CC(F)(F)F)c4ccn(c4c3)[C](C)(c5ccccn5)c6ccccn6;CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C","InChI=1S/C35H29F4N7O4S/c1-34(30-11-5-7-14-40-30,31-12-6-8-15-41-31)46-16-13-24-27(44-51(49,50)21-35(37,38)39)17-22(19-29(24)46)23-18-28(32(47)45(2)20-23)43-33(48)42-26-10-4-3-9-25(26)36/h3-20,44H,21H2,1-2H3,(H2,42,43,48)","","2021-08-18","2022-08-19","N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide","2022-08-24"],["7R0","2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C17 H17 N5 O4","N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(Cc3c[nH]cn3)N)CC(=O)O)O","InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1","CHROMOPHORE (HIS-TYR-GLY)","2021-08-21","2024-09-27","2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2021-09-01"],["QTN","(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol","C26 H27 Cl N4 O5 S","C[S](C)(O)Nc1ccc(cc1)c2ccc(cc2)c3nc4[nH]c(O[CH]5CO[CH]6[CH](O)CO[CH]56)nc4cc3Cl;CS(C)(Nc1ccc(cc1)c2ccc(cc2)c3c(cc4c(n3)[nH]c(n4)OC5COC6C5OCC6O)Cl)O","InChI=1S/C26H27ClN4O5S/c1-37(2,33)31-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(29-22)30-26(28-19)36-21-13-35-23-20(32)12-34-24(21)23/h3-11,20-21,23-24,31-33H,12-13H2,1-2H3,(H,28,29,30)/t20-,21-,23-,24-/m1/s1","","2020-08-07","2024-05-10","(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol","2024-05-15"],["QTO","(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H19 F N4 O2","O=C(O)C1(F)CN(CC21CCC2)c1cc(Nc2ccccc2)ncn1;OC(=O)[C]1(F)CN(CC12CCC2)c3cc(Nc4ccccc4)ncn3;c1ccc(cc1)Nc2cc(ncn2)N3CC4(CCC4)C(C3)(C(=O)O)F","InChI=1S/C18H19FN4O2/c19-18(16(24)25)11-23(10-17(18)7-4-8-17)15-9-14(20-12-21-15)22-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11H2,(H,24,25)(H,20,21,22)/t18-/m0/s1","","2022-06-14","2022-07-01","(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["7R1","(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one","C12 H13 N O3 S2","c1cc(cc(c1CC2C(NC(=S)S2)=O)OC)OC;COc1ccc(C[CH]2SC(=S)NC2=O)c(OC)c1;COc1ccc(c(c1)OC)CC2C(=O)NC(=S)S2","InChI=1S/C12H13NO3S2/c1-15-8-4-3-7(9(6-8)16-2)5-10-11(14)13-12(17)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,17)/t10-/m1/s1","","2016-11-30","2017-08-25","(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one","2017-08-30"],["QTP","3-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine","C12 H18 N3 O12 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ccnc12)C)CC3O;Cc1ccnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;Cc1ccnc2c1ncn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C12H18N3O12P3/c1-7-2-3-13-12-11(7)14-6-15(12)10-4-8(16)9(25-10)5-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6,8-10,16H,4-5H2,1H3,(H,20,21)(H,22,23)(H2,17,18,19)/t8-,9+,10+/m0/s1","","2012-03-29","2012-05-18","3-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine",""],["7R2","N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide","C19 H26 N4 S","c1(sccc1)/C(Nc3cc2CCCN(c2cc3)CCN(C)CC)=N;CCN(C)CCN1CCCc2cc(NC(=N)c3sccc3)ccc12;CCN(C)CCN1CCCc2c1ccc(c2)NC(=N)c3cccs3","InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)","","2018-02-26","2018-10-26","N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide","2018-10-31"],["7R3","(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","C23 H27 Cl O7","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2ccc(Cl)c(Cc3ccc(O[CH]4CCOC4)cc3)c2;c1cc(ccc1Cc2cc(ccc2Cl)C3C(C(C(C(O3)CO)O)O)O)OC4CCOC4","InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1","Empagliflozin","2021-10-14","2021-10-22","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[[4-[(3~{S})-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","2021-10-27"],["QTQ","(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol","C4 H8 O4 S","O[CH]1C[S](=O)(=O)C[CH]1O;C1C(C(CS1(=O)=O)O)O","InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1","","2020-08-07","2021-06-11","(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol","2021-06-16"],["7R4","(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one","C10 H9 N O S2","c1ccc(cc1)CC2C(NC(=S)S2)=O;O=C1NC(=S)S[CH]1Cc2ccccc2;c1ccc(cc1)CC2C(=O)NC(=S)S2","InChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1","","2016-11-30","2017-08-25","(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one","2017-08-30"],["QTR","OXYGEN OF QUINONE","O","O;[O];O","InChI=1/H2O/h1H2","","1999-07-08","2008-10-14","water",""],["QTS","1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine","C14 H12 Cl N3","n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N;Nc1nc2ccccc2n1Cc3ccc(Cl)cc3;c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N","InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)","","2019-12-18","2020-08-21","1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine","2020-08-26"],["7R5","N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","C17 H17 Cl N6 O3","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc12)N1CCOCC1;Clc1cnccc1NC(=O)Cn2ccc3C(=O)NC(=Nc23)N4CCOCC4;c1cncc(c1NC(=O)Cn2ccc3c2N=C(NC3=O)N4CCOCC4)Cl","InChI=1S/C17H17ClN6O3/c18-12-9-19-3-1-13(12)20-14(25)10-24-4-2-11-15(24)21-17(22-16(11)26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,19,20,25)(H,21,22,26)","","2021-08-19","2022-08-19","N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide","2022-08-24"],["7R6","2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C17 H14 N4 O4","OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3;c1cc(ccc1C=C2C(=O)N(C(=N2)C=Cc3c[nH]cn3)CC(=O)O)O","InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+","RED CHROMOPHORE (HIS, TYR, GLY)","2021-08-21","2024-09-27","2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2021-09-01"],["QTT","2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid","C23 H32 N4 O2","CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)=O)Cc3cccc(C)n3;Cc1cccc(n1)CN(C)C2CCCCC2N(Cc3cccc(n3)C)CC(=O)O","InChI=1S/C23H32N4O2/c1-17-8-6-10-19(24-17)14-26(3)21-12-4-5-13-22(21)27(16-23(28)29)15-20-11-7-9-18(2)25-20/h6-11,21-22H,4-5,12-16H2,1-3H3,(H,28,29)/t21-,22-/m0/s1","","2020-08-07","2020-10-30","2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid","2020-11-04"],["QTU","3-(thiophen-2-yl)propanoic acid","C7 H8 O2 S","C(CCc1cccs1)(=O)O;OC(=O)CCc1sccc1;c1cc(sc1)CCC(=O)O","InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)","","2020-09-13","2024-09-27","3-(thiophen-2-yl)propanoic acid","2021-10-06"],["7R7","(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one","C11 H11 N O4 S","c2c(C1C(NC(O1)=S)=O)c(cc(c2)OC)OC;COc1ccc([CH]2OC(=S)NC2=O)c(OC)c1;COc1ccc(c(c1)OC)C2C(=O)NC(=S)O2","InChI=1S/C11H11NO4S/c1-14-6-3-4-7(8(5-6)15-2)9-10(13)12-11(17)16-9/h3-5,9H,1-2H3,(H,12,13,17)/t9-/m1/s1","","2016-11-30","2017-08-25","(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one","2017-08-30"],["7R8","6-oxidanylnaphthalene-2-carboximidamide","C11 H10 N2 O","NC(=N)c1ccc2cc(O)ccc2c1;c1cc(cc2c1cc(cc2)O)C(=N)N","InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13)","","2021-10-14","2022-10-07","6-oxidanylnaphthalene-2-carboximidamide","2022-10-12"],["QTV","1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole","C11 H10 F N3 O2","n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O;Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O;Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]","InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3","","2019-12-18","2020-08-21","1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole","2020-08-26"],["7R9","5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide","C26 H32 Cl F2 N5 O6 S2","O=C(NCC(C(=O)N1CCC(N(C)C)C1)NS(=O)(=O)c3cccc(N2C(=O)CCCC2)c3OC(F)F)c4sc(Cl)cc4;CN(C)[CH]1CCN(C1)C(=O)[CH](CNC(=O)c2sc(Cl)cc2)N[S](=O)(=O)c3cccc(N4CCCCC4=O)c3OC(F)F;CN(C)C1CCN(C1)C(=O)C(CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O","InChI=1S/C26H32ClF2N5O6S2/c1-32(2)16-11-13-33(15-16)25(37)17(14-30-24(36)19-9-10-21(27)41-19)31-42(38,39)20-7-5-6-18(23(20)40-26(28)29)34-12-4-3-8-22(34)35/h5-7,9-10,16-17,26,31H,3-4,8,11-15H2,1-2H3,(H,30,36)/t16-,17-/m0/s1","","2013-06-18","2014-09-05","5-chloro-N-{(2S)-2-({[2-(difluoromethoxy)-3-(2-oxopiperidin-1-yl)phenyl]sulfonyl}amino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl}thiophene-2-carboxamide","2013-12-25"],["QTW","[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C25 H38 N6 O8 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)c3ccccc3)nn2)[CH](O)[CH]1O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N","InChI=1S/C25H38N6O8S/c1-16(2)11-20(26)25(35)29-40(36,37)39-15-21-23(33)22(32)18(14-38-21)9-6-10-31-13-19(28-30-31)12-27-24(34)17-7-4-3-5-8-17/h3-5,7-8,13,16,18,20-23,32-33H,6,9-12,14-15,26H2,1-2H3,(H,27,34)(H,29,35)/t18-,20+,21-,22+,23-/m1/s1","","2020-08-10","2020-11-27","[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(benzamidomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-12-02"],["7RA","7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-5'-PHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1nc(ncc12)N)C(O)C3O;Nc1ncc2n(cnc2n1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(n1)N","InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1","","2002-03-19","2011-06-04","7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-amine",""],["QTX","~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C25 H19 Cl2 N7 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(Cl)cc(Cl)c4)nc(nc12)c5cccnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cc(cc(c5)Cl)Cl","InChI=1S/C25H19Cl2N7O/c1-14-5-6-15(25(35)30-19-10-17(26)9-18(27)11-19)8-21(14)31-23-20-13-29-34(2)24(20)33-22(32-23)16-4-3-7-28-12-16/h3-13H,1-2H3,(H,30,35)(H,31,32,33)","","2022-11-15","2023-03-03","~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-03-08"],["7RB","2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide","C25 H25 Cl N6 O2","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc12)N1CCC(CC1)Cc1ccccc1;Clc1cnccc1NC(=O)Cn2ccc3C(=O)NC(=Nc23)N4CCC(CC4)Cc5ccccc5;c1ccc(cc1)CC2CCN(CC2)C3=Nc4c(ccn4CC(=O)Nc5ccncc5Cl)C(=O)N3","InChI=1S/C25H25ClN6O2/c26-20-15-27-10-6-21(20)28-22(33)16-32-13-9-19-23(32)29-25(30-24(19)34)31-11-7-18(8-12-31)14-17-4-2-1-3-5-17/h1-6,9-10,13,15,18H,7-8,11-12,14,16H2,(H,27,28,33)(H,29,30,34)","","2021-08-19","2022-08-19","2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide","2022-08-24"],["QTY","N-[[1-[(3S,3aR,6S,6aR)-6-[4-[[[4-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-N'-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide","C32 H48 N10 O16","C1(C(C(O)C(O)C(O1)CO)O)NC(=O)CCC(NCc2nnn(c2)C3COC6C3OCC6n4nnc(c4)CNC(=O)CCC(NC5OC(CO)C(C(C5O)O)O)=O)=O;OC[CH]1O[CH](NC(=O)CCC(=O)NCc2cn(nn2)[CH]3CO[CH]4[CH](CO[CH]34)n5cc(CNC(=O)CCC(=O)N[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)nn5)[CH](O)[CH](O)[CH]1O;c1c(nnn1C2COC3C2OCC3n4cc(nn4)CNC(=O)CCC(=O)NC5C(C(C(C(O5)CO)O)O)O)CNC(=O)CCC(=O)NC6C(C(C(C(O6)CO)O)O)O","InChI=1S/C32H48N10O16/c43-9-17-23(49)25(51)27(53)31(57-17)35-21(47)3-1-19(45)33-5-13-7-41(39-37-13)15-11-55-30-16(12-56-29(15)30)42-8-14(38-40-42)6-34-20(46)2-4-22(48)36-32-28(54)26(52)24(50)18(10-44)58-32/h7-8,15-18,23-32,43-44,49-54H,1-6,9-12H2,(H,33,45)(H,34,46)(H,35,47)(H,36,48)/t15-,16-,17+,18+,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1","","2019-12-20","2020-10-23","N~1~,N~1'~-[(3S,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diylbis(1H-1,2,3-triazole-1,4-diylmethanediyl)]bis{N~4~-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide} (non-preferred name)","2020-10-28"],["7RC","(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid","C8 H17 N2 O5 P","OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1;C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O","InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1","","2021-04-23","2021-06-25","(2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid","2021-06-30"],["QTZ","mycinamicin II","C37 H61 N O13","CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]3O[CH]3[C]1(O)CO[CH]4O[CH](C)[CH](O)[CH](OC)[CH]4OC;CCC1C(C2C(O2)C=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC3C(C(CC(O3)C)N(C)C)O)C)C)(COC4C(C(C(C(O4)C)O)OC)OC)O","InChI=1S/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26+,27+,29+,30+,31+,32+,33+,34-,35-,36+,37-/m0/s1","(1~{S},2~{S},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-2-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione","2020-08-10","2021-08-13","(1~{S},2~{S},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-2-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione","2021-08-18"],["QU0","N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide","C25 H34 N4 O4 S","CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1;CCC(C)(C)c1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)[CH](O)Cc3onc(n3)N(C)C;CCC(C)(C)c1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(Cc3nc(no3)N(C)C)O","InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1","","2023-08-21","2024-04-19","N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide","2024-04-24"],["7RD","(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE","C14 H19 N3 O2 S","O=C1SC(/C=C(/C=C)C)(C(O)=C1CCCC/N=[N+]=[N-])C;CC(C=C)=C[C]1(C)SC(=O)C(=C1O)CCCCN=[N+]=[N-];CC(=CC1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)C=C","InChI=1S/C14H19N3O2S/c1-4-10(2)9-14(3)12(18)11(13(19)20-14)7-5-6-8-16-17-15/h4,9,18H,1,5-8H2,2-3H3/b10-9+/t14-/m1/s1","","2013-09-19","2014-09-05","(5R)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one","2013-10-09"],["QU2","mycinamicin I","C37 H61 N O12","CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]3O[CH]3[CH]1CO[CH]4O[CH](C)[CH](O)[CH](OC)[CH]4OC;CCC1C(C2C(O2)C=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC3C(C(CC(O3)C)N(C)C)O)C)C)COC4C(C(C(C(O4)C)O)OC)OC","InChI=1S/C37H61NO12/c1-11-27-24(18-45-37-35(44-10)34(43-9)30(41)23(6)47-37)33-28(49-33)14-13-26(39)20(3)16-21(4)32(19(2)12-15-29(40)48-27)50-36-31(42)25(38(7)8)17-22(5)46-36/h12-15,19-25,27-28,30-37,41-42H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24+,25-,27+,28+,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1","(1~{R},2~{R},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione","2020-08-10","2021-08-13","(1~{R},2~{R},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione","2021-08-18"],["7RE","6-methyl-3H-pyridin-2-one","C6 H7 N O","CC1=NC(=O)CC=C1;CC1=NC(=O)CC=C1","InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-3H,4H2,1H3","2(3H)-Pyridinone, 6-methyl-; 6-Methylpyridin-2(3H)-one","2021-08-23","2021-10-15","6-methyl-3~{H}-pyridin-2-one","2021-10-20"],["7RF","(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate","C19 H17 N5 O2","NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N;c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N","InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)","","2021-10-14","2022-11-18","(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate","2022-11-23"],["QU3","4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide","C13 H15 N5 O4 S","O=C(c1coc(c1)S(=O)(=O)NC)N1Cc2cnc(N)nc2CC1;CN[S](=O)(=O)c1occ(c1)C(=O)N2CCc3nc(N)ncc3C2;CNS(=O)(=O)c1cc(co1)C(=O)N2CCc3c(cnc(n3)N)C2","InChI=1S/C13H15N5O4S/c1-15-23(20,21)11-4-8(7-22-11)12(19)18-3-2-10-9(6-18)5-16-13(14)17-10/h4-5,7,15H,2-3,6H2,1H3,(H2,14,16,17)","","2022-06-14","2022-07-01","4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide","2022-07-06"],["7RG","6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C20 H25 N7 O2","O=C2NC(=Nc1n(ncc12)C3CCOCC3)C5C(C)CN(Cc4ncccn4)C5;C[CH]1CN(C[CH]1C2=Nc3n(ncc3C(=O)N2)C4CCOCC4)Cc5ncccn5;CC1CN(CC1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5","InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1","","2012-03-21","2013-02-22","6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2013-02-22"],["QU4","3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)","C22 H14 O9","c1c(O)c(cc(c1)/C(c2ccc(c(c2)C(O)=O)O)=C3/C=CC(C(=C3)C(O)=O)=O)C(O)=O;OC(=O)c1cc(ccc1O)C(c2ccc(O)c(c2)C(O)=O)=C3C=CC(=O)C(=C3)C(O)=O;c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O","InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)","Aurintricarboxylic acid","2019-12-19","2021-02-26","3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)","2021-03-03"],["QU5","4-methoxycyclohexa-2,5-diene-1-thione","C7 H10 O S","CO[CH]1C=C[CH](S)C=C1;COC1C=CC(C=C1)S","InChI=1S/C7H10OS/c1-8-6-2-4-7(9)5-3-6/h2-7,9H,1H3/t6-,7+","","2020-08-11","2024-09-27","4-methoxycyclohexa-2,5-diene-1-thiol","2021-04-21"],["7RH","(E)-3-(7-(2-((3-chloropyridin-4-yl)amino)-2-oxoethyl)-3-(3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylamide","C23 H19 Cl N8 O3","Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/C(N)=O)c3C2=O)cn1;Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(C=CC(N)=O)c3C2=O;Cn1cc(cn1)C#CCN2C=Nc3c(c(cn3CC(=O)Nc4ccncc4Cl)C=CC(=O)N)C2=O","InChI=1S/C23H19ClN8O3/c1-30-11-15(9-28-30)3-2-8-31-14-27-22-21(23(31)35)16(4-5-19(25)33)12-32(22)13-20(34)29-18-6-7-26-10-17(18)24/h4-7,9-12,14H,8,13H2,1H3,(H2,25,33)(H,26,29,34)/b5-4+","","2021-08-19","2022-11-04","(2E)-3-(7-{2-[(3-chloropyridin-4-yl)amino]-2-oxoethyl}-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide","2022-11-09"],["QU6","~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C26 H23 N7 O2","COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(nc4n(C)ncc34)c5cccnc5)c2)c1;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)OC","InChI=1S/C26H23N7O2/c1-16-9-10-17(26(34)29-19-7-4-8-20(13-19)35-3)12-22(16)30-24-21-15-28-33(2)25(21)32-23(31-24)18-6-5-11-27-14-18/h4-15H,1-3H3,(H,29,34)(H,30,31,32)","","2022-11-15","2023-03-03","~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-03-08"],["7RI","5-bromanyl-N-methyl-1H-indazole-3-carboxamide","C9 H8 Br N3 O","CNC(=O)c1n[nH]c2ccc(Br)cc12;CNC(=O)c1c2cc(ccc2[nH]n1)Br","InChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)","1H-Indazole-3-carboxamide, 5-bromo-N-methyl-","2021-08-23","2021-10-15","5-bromanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide","2021-10-20"],["7RL","N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","C20 H16 Cl F N6 O2","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1F;Fc1ccccc1CNC2=Nc3n(CC(=O)Nc4ccncc4Cl)ccc3C(=O)N2;c1ccc(c(c1)CNC2=Nc3c(ccn3CC(=O)Nc4ccncc4Cl)C(=O)N2)F","InChI=1S/C20H16ClFN6O2/c21-14-10-23-7-5-16(14)25-17(29)11-28-8-6-13-18(28)26-20(27-19(13)30)24-9-12-3-1-2-4-15(12)22/h1-8,10H,9,11H2,(H,23,25,29)(H2,24,26,27,30)","","2021-08-19","2022-11-04","N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","2022-11-09"],["QU7","(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol","C28 H34 O","C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1","SS-RJW100","2019-12-20","2020-12-18","(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol","2020-12-23"],["7RM","5'-O-(acetylsulfamoyl)adenosine","C12 H16 N6 O7 S","CC(NS(=O)(=O)OCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)=O;CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H16N6O7S/c1-5(19)17-26(22,23)24-2-6-8(20)9(21)12(25-6)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,20-21H,2H2,1H3,(H,17,19)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2016-12-01","2017-12-01","5'-O-(acetylsulfamoyl)adenosine","2017-12-06"],["QU8","~{N}-(4-methoxyphenyl)methanamide","C8 H9 N O2","COc1ccc(NC=O)cc1;COc1ccc(cc1)NC=O","InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10)","","2020-08-11","2024-09-27","~{N}-(4-methoxyphenyl)methanamide","2021-12-01"],["QU9","(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C29 H28 Cl N5 O3","Clc1ccc2OCCC(CC(=O)N3CCCC3Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2OCC[C](CC(=O)N3CCC[CH]3Cn4ccnc4)(C(=O)Nc5cncc6ccccc56)c2c1;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5Cn6ccnc6","InChI=1S/C29H28ClN5O3/c30-21-7-8-26-24(14-21)29(9-13-38-26,28(37)33-25-17-32-16-20-4-1-2-6-23(20)25)15-27(36)35-11-3-5-22(35)18-34-12-10-31-19-34/h1-2,4,6-8,10,12,14,16-17,19,22H,3,5,9,11,13,15,18H2,(H,33,37)/t22-,29+/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7RN","N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide","C10 H11 N3 O S","CNC(=O)c1cc([nH]n1)c2sc(C)cc2;Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC","InChI=1S/C10H11N3OS/c1-6-3-4-9(15-6)7-5-8(13-12-7)10(14)11-2/h3-5H,1-2H3,(H,11,14)(H,12,13)","","2021-08-23","2021-10-15","~{N}-methyl-5-(5-methylthiophen-2-yl)-1~{H}-pyrazole-3-carboxamide","2021-10-20"],["QUA","8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID","C12 H13 N O4","O=C(O)c1nc2c(c(c1)C(O)C)C=CCC2O;C[CH](O)c1cc(nc2[CH](O)CC=Cc12)C(O)=O;CC(c1cc(nc2c1C=CCC2O)C(=O)O)O","InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1","","2000-11-02","2024-09-27","(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid",""],["7RO","tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate","C25 H27 Cl N6 O3","O=C(N(C)C)c1ccc(c(Cl)c1)Nc4ncc3c(n(c(c2cn(nc2)C)c3)C(=O)OC(C)(C)C)c4;CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)c4cnn(C)c4)c(Cl)c1;CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C","InChI=1S/C25H27ClN6O3/c1-25(2,3)35-24(34)32-20(17-13-28-31(6)14-17)10-16-12-27-22(11-21(16)32)29-19-8-7-15(9-18(19)26)23(33)30(4)5/h7-14H,1-6H3,(H,27,29)","","2013-09-05","2014-09-05","tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate","2013-12-04"],["QUB","(E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine","C13 H12 N2 O","O(N=Cc1c2ccccc2ncc1)CC=C;C=CCON=Cc1ccnc2ccccc12;C=CCON=Cc1ccnc2c1cccc2","InChI=1S/C13H12N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h2-8,10H,1,9H2/b15-10+","","2013-06-25","2013-09-13","(E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine","2013-09-18"],["7RP","7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PHOSPHATE","C10 H13 N4 O7 P","O=P(O)(O)OCC3OC(n2cnc1ncncc12)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ncncc23;c1c2c(ncn1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1","","2002-03-19","2011-06-04","7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purine",""],["7RQ","N-[6-[[9-(dimethylamino)-12H-benzo[a]phenoxazin-5-yl]amino]hexyl]-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[oxidanyl(oxidanylidene)-$l^4-azanyl]benzamide","C38 H39 N5 O7","CN(C)c1ccc2Nc3c(Oc2c1)cc(NCCCCCCNC(=O)c4ccc(C(=O)C5=C(O)CCCC5=O)c(c4)[N+]([O-])=O)c6ccccc36;CN(C)c1ccc2c(c1)Oc3cc(c4ccccc4c3N2)NCCCCCCNC(=O)c5ccc(c(c5)[N+](=O)[O-])C(=O)C6=C(CCCC6=O)O","InChI=1S/C38H39N5O7/c1-42(2)24-15-17-28-33(21-24)50-34-22-29(25-10-5-6-11-26(25)36(34)41-28)39-18-7-3-4-8-19-40-38(47)23-14-16-27(30(20-23)43(48)49)37(46)35-31(44)12-9-13-32(35)45/h5-6,10-11,14-17,20-22,39,41,44H,3-4,7-9,12-13,18-19H2,1-2H3,(H,40,47)","","2021-10-15","2022-09-16","~{N}-[6-[[9-(dimethylamino)-12~{H}-benzo[a]phenoxazin-5-yl]amino]hexyl]-3-nitro-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzamide","2022-09-21"],["QUC","(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid","C14 H16 Cl N3 O4 S","O=S(=O)(c1c[NH]c2ncc(Cl)cc21)N1CCCC(C(=O)O)C1C;C[CH]1[CH](CCCN1[S](=O)(=O)c2c[nH]c3ncc(Cl)cc23)C(O)=O;CC1C(CCCN1S(=O)(=O)c2c[nH]c3c2cc(cn3)Cl)C(=O)O","InChI=1S/C14H16ClN3O4S/c1-8-10(14(19)20)3-2-4-18(8)23(21,22)12-7-17-13-11(12)5-9(15)6-16-13/h5-8,10H,2-4H2,1H3,(H,16,17)(H,19,20)/t8-,10+/m1/s1","","2022-06-14","2022-07-01","(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid","2022-07-06"],["QUD","2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM","C29 H37 N4 O2","O=C(NCC([n+]2cc3cc(Oc1ccccc1)ccc3nc2N)C4CCCCC4)C5CCCCC5;Nc1nc2ccc(Oc3ccccc3)cc2c[n+]1[CH](CNC(=O)C4CCCCC4)C5CCCCC5;c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)C(CNC(=O)C4CCCCC4)C5CCCCC5","InChI=1S/C29H36N4O2/c30-29-32-26-17-16-25(35-24-14-8-3-9-15-24)18-23(26)20-33(29)27(21-10-4-1-5-11-21)19-31-28(34)22-12-6-2-7-13-22/h3,8-9,14-18,20-22,27,30H,1-2,4-7,10-13,19H2,(H,31,34)/p+1/t27-/m0/s1","","2009-05-28","2011-06-04","2-amino-3-{(1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium",""],["7RR","2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide","C13 H11 Cl N6 O2","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(N)=Nc21;NC1=Nc2n(CC(=O)Nc3ccncc3Cl)ccc2C(=O)N1;c1cncc(c1NC(=O)Cn2ccc3c2N=C(NC3=O)N)Cl","InChI=1S/C13H11ClN6O2/c14-8-5-16-3-1-9(8)17-10(21)6-20-4-2-7-11(20)18-13(15)19-12(7)22/h1-5H,6H2,(H,16,17,21)(H3,15,18,19,22)","","2021-08-19","2022-11-04","2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide","2022-11-09"],["7RS","N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide","C20 H24 F2 N4 O","C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3;Cc1ccc(CN2CCNCC2)cc1NC(=O)CNc3ccc(F)c(F)c3;Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3","InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)","antagonist GW791343","2016-12-02","2020-06-17","N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide","2017-01-04"],["QUE","3,5,7,3',4'-PENTAHYDROXYFLAVONE","C15 H10 O7","O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O;Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O;c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O","InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H","QUERCETIN","1999-07-08","2020-06-17","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",""],["7RT","N-methyl-1H-indole-4-carboxamide","C10 H10 N2 O","CNC(=O)c1cccc2[nH]ccc12;CNC(=O)c1cccc2c1cc[nH]2","InChI=1S/C10H10N2O/c1-11-10(13)8-3-2-4-9-7(8)5-6-12-9/h2-6,12H,1H3,(H,11,13)","","2021-08-23","2021-10-15","~{N}-methyl-1~{H}-indole-4-carboxamide","2021-10-20"],["QUF","~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C27 H19 F6 N7 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc(nc12)c5cccnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F","InChI=1S/C27H19F6N7O/c1-14-5-6-15(25(41)36-19-10-17(26(28,29)30)9-18(11-19)27(31,32)33)8-21(14)37-23-20-13-35-40(2)24(20)39-22(38-23)16-4-3-7-34-12-16/h3-13H,1-2H3,(H,36,41)(H,37,38,39)","","2022-11-15","2023-11-24","~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-11-29"],["7RU","3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea","C21 H32 Cl2 N4 O","CN(C)C(=O)N[CH]1CC[CH](CC1)CCN2CCN(CC2)c3cccc(Cl)c3Cl;CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl","InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-","Cariprazine","2021-10-15","2021-12-17","3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea","2021-12-22"],["QUG","2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C12 H15 N5 O3","N1=C(Nc3c(C1=O)c(CNC2C(O)C(C=C2)O)cn3)N;NC1=NC(=O)c2c(CN[CH]3C=C[CH](O)[CH]3O)c[nH]c2N1;c1c(c2c([nH]1)NC(=NC2=O)N)CNC3C=CC(C3O)O","InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9-/m0/s1","Queuine","2019-06-06","2020-06-17","2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2019-09-18"],["QUH","[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate","C20 H33 N3 O16 P2","C[CH](O)CC(=O)N[CH]1[CH](O)[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)CC(C)O)O","InChI=1S/C20H33N3O16P2/c1-8-6-23(20(30)22-18(8)29)14-5-11(25)12(37-14)7-35-40(31,32)39-41(33,34)38-19-17(28)15(16(27)10(3)36-19)21-13(26)4-9(2)24/h6,9-12,14-17,19,24-25,27-28H,4-5,7H2,1-3H3,(H,21,26)(H,31,32)(H,33,34)(H,22,29,30)/t9-,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1","","2016-07-18","2016-07-22","[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate","2016-07-27"],["7RV","N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide","C28 H32 N4 O2 S","C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5;O=C(NCC1(CCOCC1)N2CCN(CC2)c3ccccc3)c4cccnc4Sc5ccccc5;c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5","InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)","antagonist JNJ47965567","2016-12-02","2020-06-17","N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide","2017-01-04"],["QUI","2-CARBOXYQUINOXALINE","C9 H6 N2 O2","O=C(O)c1nc2ccccc2nc1;OC(=O)c1cnc2ccccc2n1;c1ccc2c(c1)ncc(n2)C(=O)O","InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)","","1999-07-08","2024-09-27","quinoxaline-2-carboxylic acid",""],["7RW","N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","C17 H17 Cl N6 O2","Clc1cnccc1NC(=O)Cn1ccc2c1nc(nc2O)NCC1CC1;Oc1nc(NCC2CC2)nc3n(CC(=O)Nc4ccncc4Cl)ccc13;c1cncc(c1NC(=O)Cn2ccc3c2nc(nc3O)NCC4CC4)Cl","InChI=1S/C17H17ClN6O2/c18-12-8-19-5-3-13(12)21-14(25)9-24-6-4-11-15(24)22-17(23-16(11)26)20-7-10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,19,21,25)(H2,20,22,23,26)","","2021-08-19","2022-11-04","N-(3-chloropyridin-4-yl)-2-{2-[(cyclopropylmethyl)amino]-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-11-09"],["QUJ","8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid","C14 H16 N2 O3","CC(C)COc1cc(nc2c(N)cccc12)C(O)=O;CC(C)COc1cc(nc2c1cccc2N)C(=O)O","InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18)","","2016-05-24","2024-09-27","8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid","2017-03-01"],["7RX","(R)-homoproline","C6 H11 N O2","OC(=O)C[CH]1CCCN1;C1CC(NC1)CC(=O)O","InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1","2-[(2R)-pyrrolidin-2-yl]ethanoic acid","2021-08-24","2021-10-15","2-[(2~{R})-pyrrolidin-2-yl]ethanoic acid","2021-10-20"],["7RY","N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide","C25 H34 N4 O2","C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO;OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1;c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4","InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25-","antagonist AZ10606120","2016-12-02","2020-06-17","N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide","2017-01-04"],["QUK","8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid","C13 H15 N3 O3","NCCCOc1cc(nc2c(N)cccc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN","InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18)","","2016-05-24","2024-09-27","8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid","2017-03-01"],["QUL","N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine","C21 H24 N4","n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC;CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14;CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4","InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)","","2011-01-12","2011-11-04","N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine",""],["7RZ","[(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate","C29 H35 B Br N7 O9 P","CN(CCCOc1ccc(Br)c2[CH](CN)O[B]3(O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12)Cc7ccccc7;B12(c3c(ccc(c3C(O1)CN)Br)OCCCN(C)Cc4ccccc4)OC5C(OC(C5O2)n6cnc7c6ncnc7N)COP(=O)(O)O","InChI=1S/C29H35BBrN7O9P/c1-37(13-17-6-3-2-4-7-17)10-5-11-42-19-9-8-18(31)22-20(12-32)45-30(23(19)22)46-25-21(14-43-48(39,40)41)44-29(26(25)47-30)38-16-36-24-27(33)34-15-35-28(24)38/h2-4,6-9,15-16,20-21,25-26,29H,5,10-14,32H2,1H3,(H2,33,34,35)(H2,39,40,41)/t20-,21-,25-,26-,29-/m1/s1","AMP adduct with 3-[[(3S)-3-(aminomethyl)-4-bromanyl-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy]-N-methyl-N-(phenylmethyl)propan-1-amine","2023-07-12","2024-06-07","[(1~{R},3'~{S},5~{S},6~{R},8~{R})-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3~{H}-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate","2024-06-12"],["QUM","QUINACRINE MUSTARD","C23 H28 Cl3 N3 O","ClCCN(CCCl)CCCC(/N=C2c1c(ccc(OC)c1)Nc3c2ccc(Cl)c3)C;COc1ccc2Nc3cc(Cl)ccc3C(=N[CH](C)CCCN(CCCl)CCCl)c2c1;CC(CCCN(CCCl)CCCl)N=C1c2ccc(cc2Nc3c1cc(cc3)OC)Cl","InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)/t16-/m0/s1","N-{(1S)-4-[BIS(2-CHLOROETHYL)AMINO]-1-METHYLBUTYL}-N-(6-CHLORO-2-METHOXY-9-ACRIDINYL)AMINE","2002-04-04","2024-09-27","(4S)-N~1~,N~1~-bis(2-chloroethyl)-N~4~-[(9Z)-6-chloro-2-methoxyacridin-9(10H)-ylidene]pentane-1,4-diamine",""],["7S0","N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","C22 H21 Cl N6 O4","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccc(OC)cc1OC;COc1ccc(CNC2=Nc3n(CC(=O)Nc4ccncc4Cl)ccc3C(=O)N2)c(OC)c1;COc1ccc(c(c1)OC)CNC2=Nc3c(ccn3CC(=O)Nc4ccncc4Cl)C(=O)N2","InChI=1S/C22H21ClN6O4/c1-32-14-4-3-13(18(9-14)33-2)10-25-22-27-20-15(21(31)28-22)6-8-29(20)12-19(30)26-17-5-7-24-11-16(17)23/h3-9,11H,10,12H2,1-2H3,(H,24,26,30)(H2,25,27,28,31)","","2021-08-19","2022-11-04","N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide","2022-11-09"],["7S1","N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine","C19 H17 N5","C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3;C[CH](NC(NC#N)=Nc1cccc2ncccc12)c3ccccc3;CC(c1ccccc1)NC(=Nc2cccc3c2cccn3)NC#N","InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1","antagonist A804598","2016-12-02","2021-03-01","N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine","2017-01-04"],["QUN","QUINACRINE","C23 H30 Cl N3 O","Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC;CCN(CC)CCC[CH](C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13;CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl","InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1","6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE","2001-08-17","2021-03-01","(4R)-N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine",""],["7S2","(2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide","C28 H34 N4 O4","CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)[CH]4C[CH](O)CN4;CC(C)C(=O)N1CC(CC1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)C4CC(CN4)O","InChI=1S/C28H34N4O4/c1-18(2)28(36)32-17-22(31-26(34)24-14-23(33)16-29-24)13-25(32)27(35)30-15-21-11-9-20(10-12-21)6-4-3-5-19-7-8-19/h9-12,18-19,22-25,29,33H,7-8,13-17H2,1-2H3,(H,30,35)(H,31,34)/t22-,23-,24+,25-/m1/s1","","2021-08-24","2022-09-02","(2~{R},4~{R})-~{N}-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2~{S},4~{R})-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide","2022-09-07"],["QUO","2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-CYCLOPENTYLAMINO)-GUANOSINE-5'-MONOPHOSPHATE","C17 H26 N5 O10 P","O=C1c2c(N=C(N)N1)n(cc2CNC3CCC(O)C3O)C4OC(C(O)C4O)COP(=O)(O)O;NC1=Nc2n(cc(CN[CH]3CC[CH](O)[CH]3O)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CNC4CCC(C4O)O","InChI=1S/C17H26N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h4,7-9,11-13,16,19,23-26H,1-3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9-,11+,12-,13-,16-/m1/s1","","1999-07-20","2011-06-04","2-amino-5-({[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["QUP","1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide","C18 H14 Cl N5 O","Clc1cc(c(cc1)C)n4c(C(=O)N)cc(c2ncnn3cccc23)c4;Cc1ccc(Cl)cc1n2cc(cc2C(N)=O)c3ncnn4cccc34;Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl","InChI=1S/C18H14ClN5O/c1-11-4-5-13(19)8-15(11)23-9-12(7-16(23)18(20)25)17-14-3-2-6-24(14)22-10-21-17/h2-10H,1H3,(H2,20,25)","","2015-01-08","2015-04-24","1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide","2015-04-29"],["7S3","[(2R,3S,4R,5R)-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C11 H15 N4 O8 P","CN1C=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CN1C=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C1=O","InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","1-methyl inosinic acid","2021-10-15","2022-06-08","[(2~{R},3~{S},4~{R},5~{R})-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-05-04"],["7S4","N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide","C26 H30 N6 O3","c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O;COc1ccc(CC(=O)N[CH](NC(Nc2cccc3ncccc23)=NC#N)C(C)(C)C)cc1OC;CC(C)(C)C(NC(=O)Cc1ccc(c(c1)OC)OC)NC(=NC#N)Nc2cccc3c2cccn3","InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1","antagonist A740003","2016-12-02","2021-03-01","N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide","2017-01-11"],["QUQ","(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C21 H18 Cl N3 O2","CC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CC(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CC(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C21H18ClN3O2/c1-13(26)25-11-15-6-7-16(22)8-18(15)19(12-25)21(27)24-20-10-23-9-14-4-2-3-5-17(14)20/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m1/s1","","2023-08-21","2023-11-03","(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["QUR","(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid","C14 H14 N2 O5","O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12;C[CH]1CN(C[CH]1C(O)=O)C(=O)c2cccc3NC(=O)Oc23;CC1CN(CC1C(=O)O)C(=O)c2cccc3c2OC(=O)N3","InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m0/s1","","2022-06-14","2022-07-01","(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid","2022-07-06"],["7S5","2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide","C20 H17 Cl N6 O2","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1;Clc1cnccc1NC(=O)Cn2ccc3C(=O)NC(=Nc23)NCc4ccccc4;c1ccc(cc1)CNC2=Nc3c(ccn3CC(=O)Nc4ccncc4Cl)C(=O)N2","InChI=1S/C20H17ClN6O2/c21-15-11-22-8-6-16(15)24-17(28)12-27-9-7-14-18(27)25-20(26-19(14)29)23-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24,28)(H2,23,25,26,29)","","2021-08-19","2022-11-04","2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide","2022-11-09"],["7S6","(2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide","C34 H42 F N5 O4","CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccc(CN4CCOCC4)cc3)NC(=O)[CH]5C[CH](F)CN5;CC(C)C(=O)N1CC(CC1C(=O)NCc2ccc(cc2)C#Cc3ccc(cc3)CN4CCOCC4)NC(=O)C5CC(CN5)F","InChI=1S/C34H42FN5O4/c1-23(2)34(43)40-22-29(38-32(41)30-17-28(35)20-36-30)18-31(40)33(42)37-19-26-9-5-24(6-10-26)3-4-25-7-11-27(12-8-25)21-39-13-15-44-16-14-39/h5-12,23,28-31,36H,13-22H2,1-2H3,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1","","2021-08-24","2022-09-02","(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide","2022-09-07"],["QUS","(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID","C5 H7 N3 O5","O=C1NC(=O)ON1CC(N)C(=O)O;N[CH](CN1OC(=O)NC1=O)C(O)=O;C(C(C(=O)O)N)N1C(=O)NC(=O)O1","InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1","QUISQUALATE","2002-09-05","2020-06-17","3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine",""],["7S7","6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine","C22 H28 N6","n1c(N)cc(cc1CCc2nc(ccc2)C(Cc3nc(N)cc(c3)C)CN)C;Cc1cc(N)nc(CCc2cccc(n2)[CH](CN)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cccc(n2)C(Cc3cc(cc(n3)N)C)CN","InChI=1S/C22H28N6/c1-14-8-18(27-21(24)10-14)7-6-17-4-3-5-20(26-17)16(13-23)12-19-9-15(2)11-22(25)28-19/h3-5,8-11,16H,6-7,12-13,23H2,1-2H3,(H2,24,27)(H2,25,28)/t16-/m1/s1","","2014-03-15","2014-05-02","6-[(2R)-3-amino-2-{6-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-2-yl}propyl]-4-methylpyridin-2-amine","2014-05-07"],["QUU","~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide","C26 H20 F3 N7 O","Cn1ncc2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc(nc12)c5cccnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C26H20F3N7O/c1-15-8-9-19(32-25(37)16-5-3-7-18(11-16)26(27,28)29)12-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-6-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)","","2022-11-15","2023-03-03","~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide","2023-03-08"],["7S8","[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid","C10 H14 N5 O5 P Se","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3;c1nc2c(n1C3CC(C(O3)COP(O)[SeH])O)N=C(NC2=O)N","InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21+/m0/s1","","2023-03-09","2024-01-11","[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid","2024-01-10"],["QUV","N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","C61 H107 N3 O9","O=C(Nc2c1ccccc1ccc2)NCC3OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C3O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CNC(=O)Nc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C61H107N3O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(66)63-52(56(67)53(65)45-36-34-32-30-28-16-14-12-10-8-6-4-2)48-72-60-59(70)58(69)57(68)54(73-60)47-62-61(71)64-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,65,67-70H,3-37,45-48H2,1-2H3,(H,63,66)(H2,62,64,71)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1","","2011-03-02","2011-06-24","N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide",""],["7S9","6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine","C17 H24 N4","CN(C)CCc1cncc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C","InChI=1S/C17H24N4/c1-13-8-16(20-17(18)9-13)5-4-14-10-15(12-19-11-14)6-7-21(2)3/h8-12H,4-7H2,1-3H3,(H2,18,20)","","2015-03-22","2015-06-19","6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine","2015-06-24"],["QUW","4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide","C21 H22 F2 N4 O4","NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CCCCCO)cc13;c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N","InChI=1S/C21H22F2N4O4/c22-14-6-5-13(16(23)9-14)11-26-20(29)17-18(24)15-8-12(4-2-1-3-7-28)10-25-19(15)27(31)21(17)30/h5-6,8-10,28,31H,1-4,7,11,24H2,(H,26,29)","","2015-12-22","2016-02-12","4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide","2016-02-17"],["7SA","ACARBOSE DERIVED HEPTASACCHARIDE","C44 H74 N2 O30","C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](N[CH]4[CH](C)O[CH](O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O)O[CH]6CO)[CH](O)[CH]4O)C=C3CO)[CH](O)[CH](O)[CH]1N[CH]7C=C(CO)[CH](O)[CH](O)[CH]7O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(C(C=C3CO)NC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)C)O)O)CO)O)O)NC7C=C(C(C(C7O)O)O)CO","InChI=1S/C44H74N2O30/c1-10-19(45-14-3-12(5-47)21(52)26(57)22(14)53)24(55)32(63)41(68-10)74-38-17(8-50)71-43(34(65)29(38)60)73-36-13(6-48)4-15(23(54)27(36)58)46-20-11(2)69-42(33(64)25(20)56)75-39-18(9-51)72-44(35(66)30(39)61)76-37-16(7-49)70-40(67)31(62)28(37)59/h3-4,10-11,14-67H,5-9H2,1-2H3/t10-,11-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m1/s1","(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-3-(hydroxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-oxane-2,3,4-triol","2015-06-26","2021-03-13","(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-3-(hydroxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-oxane-2,3,4-triol","2015-07-07"],["QUX","N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide","C51 H101 N O8","CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CC[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C51H101NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-47(55)52-43(40-41-45-49(57)51(59)50(58)46(42-53)60-45)48(56)44(54)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h43-46,48-51,53-54,56-59H,3-42H2,1-2H3,(H,52,55)/t43-,44+,45+,46+,48-,49-,50-,51+/m0/s1","","2011-03-01","2011-06-24","N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide",""],["QUY","(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide","C57 H104 N2 O9","CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)NCc2ccccc2)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)C(=O)NCc2ccccc2)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C57H104N2O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-40-44-50(61)59-48(51(62)49(60)43-39-34-32-30-28-16-14-12-10-8-6-4-2)46-67-57-54(65)52(63)53(64)55(68-57)56(66)58-45-47-41-37-36-38-42-47/h36-38,41-42,48-49,51-55,57,60,62-65H,3-35,39-40,43-46H2,1-2H3,(H,58,66)(H,59,61)/t48-,49+,51-,52-,53+,54+,55-,57-/m0/s1","","2011-03-01","2011-06-24","(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide",""],["7SB","N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine","C13 H11 Cl N4 O","Clc1ccc(cc1)CNc2nnc(n2)c3occc3;Clc1ccc(CNc2n[nH]c(n2)c3occc3)cc1;c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl","InChI=1S/C13H11ClN4O/c14-10-5-3-9(4-6-10)8-15-13-16-12(17-18-13)11-2-1-7-19-11/h1-7H,8H2,(H2,15,16,17,18)","","2014-01-13","2015-01-16","N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine","2015-01-21"],["QUZ","quinazoline","C8 H6 N2","n2c1c(cccc1)cnc2;c1ccc2ncncc2c1;c1ccc2c(c1)cncn2","InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H","","2010-06-08","2011-06-04","quinazoline",""],["7SC","N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","C21 H19 Cl N6 O2","Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCCc1ccccc1;Clc1cnccc1NC(=O)Cn2ccc3C(=O)NC(=Nc23)NCCc4ccccc4;c1ccc(cc1)CCNC2=Nc3c(ccn3CC(=O)Nc4ccncc4Cl)C(=O)N2","InChI=1S/C21H19ClN6O2/c22-16-12-23-9-7-17(16)25-18(29)13-28-11-8-15-19(28)26-21(27-20(15)30)24-10-6-14-4-2-1-3-5-14/h1-5,7-9,11-12H,6,10,13H2,(H,23,25,29)(H2,24,26,27,30)","","2021-08-19","2022-08-19","N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-08-24"],["7SD","N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide","C23 H25 N7 O","Cc1c(c(C)nc(c1)N)CNC(c4cnn(Cc3ccc(Cn2nccc2)cc3)c4)=O;Cc1cc(N)nc(C)c1CNC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2;Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N","InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)","","2016-12-03","2017-08-25","N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide","2017-08-30"],["QV0","(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one","C22 H19 Cl N2 O2","Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c2c1;Clc1ccc2OCC[C]3(CCCN(C3=O)c4cncc5ccccc45)c2c1;c1ccc2c(c1)cncc2N3CCCC4(C3=O)CCOc5c4cc(cc5)Cl","InChI=1S/C22H19ClN2O2/c23-16-6-7-20-18(12-16)22(9-11-27-20)8-3-10-25(21(22)26)19-14-24-13-15-4-1-2-5-17(15)19/h1-2,4-7,12-14H,3,8-11H2/t22-/m1/s1","","2023-08-21","2023-11-03","(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one","2023-11-08"],["7SE","(3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione","C11 H10 N4 O2","O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1;c1ccc2c(c1)nn(n2)C3CCC(=O)NC3=O","InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1","","2021-08-24","2022-03-11","(3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione","2022-03-16"],["QV1","(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid","C14 H14 N2 O5","O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12;C[CH]1CN(C[CH]1C(O)=O)C(=O)c2cccc3NC(=O)Oc23;CC1CN(CC1C(=O)O)C(=O)c2cccc3c2OC(=O)N3","InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m1/s1","","2022-06-14","2022-07-01","(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid","2022-07-06"],["QV2","2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one","C19 H20 N4 O2","O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4;c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O","InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)","","2020-08-13","2021-06-25","2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one","2021-06-30"],["7SF","4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid","C7 H4 Cl F3 O3 S","O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F;c1cc(c(cc1S(=O)(=O)O)C(F)(F)F)Cl","InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)","","2022-02-28","2024-09-27","4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid","2022-10-05"],["QV3","4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide","C26 H21 Cl F4 N6 O4","CC[CH](N1C=C(OC)C(=CC1=O)c2cc(Cl)ccc2n3cc(nn3)C(F)(F)F)C(=O)Nc4ccc(C(N)=O)c(F)c4;CCC(C(=O)Nc1ccc(c(c1)F)C(=O)N)N2C=C(C(=CC2=O)c3cc(ccc3n4cc(nn4)C(F)(F)F)Cl)OC","InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1","Asundexian","2022-11-15","2023-09-08","4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide","2023-09-13"],["7SG","(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C24 H35 N4 O19 P3","O=P(O)(OCc1c(c(O)c(C)nc1)C=NC4C(O)C(OC(OP(OP(OCC3OC(N2C(NC(=O)C(=C2)C)=O)CC3O)(O)=O)(O)=O)C4O)C)O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O)[CH]1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)C)O)O","InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)18(20(31)12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20+,21-,23-/m1/s1","","2016-12-03","2017-01-06","(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2017-01-11"],["7SH","N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","C27 H19 Cl N8 O3","Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(c4ccc(O)c(C#N)c4)c3C2=O)cn1;Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(c5ccc(O)c(c5)C#N)c3C2=O;Cn1cc(cn1)C#CCN2C=Nc3c(c(cn3CC(=O)Nc4ccncc4Cl)c5ccc(c(c5)C#N)O)C2=O","InChI=1S/C27H19ClN8O3/c1-34-13-17(11-32-34)3-2-8-35-16-31-26-25(27(35)39)20(18-4-5-23(37)19(9-18)10-29)14-36(26)15-24(38)33-22-6-7-30-12-21(22)28/h4-7,9,11-14,16,37H,8,15H2,1H3,(H,30,33,38)","","2021-08-19","2022-08-19","N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-08-24"],["QV4","4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose","C31 H53 N O23","O(C3C(OC(OC2C(=CC(NC1C(OC(O)C(O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[CH]2O;CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)CO","InChI=1S/C31H53NO23/c1-7-13(16(39)21(44)28(48)49-7)32-9-2-8(3-33)25(18(41)14(9)37)53-30-23(46)19(42)27(11(5-35)51-30)55-31-24(47)20(43)26(12(6-36)52-31)54-29-22(45)17(40)15(38)10(4-34)50-29/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1","","2007-09-04","2020-07-23","4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose",""],["7SI","(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol","C11 H12 O2","C1CC2CC1c3c(O)ccc(O)c23;Oc1ccc(O)c2[CH]3CC[CH](C3)c12;c1cc(c2c(c1O)C3CCC2C3)O","InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2/t6-,7+","","2016-03-15","2016-03-18","(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol","2016-03-23"],["QV5","5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide","C22 H24 Cl F N4 O2","CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(Cl)cc23)C(N)=O)N4CCNCC4;CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4","InChI=1S/C22H24ClFN4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)","","2020-08-13","2020-09-18","5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide","2020-09-23"],["7SJ","2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde","C19 H20 N4 O3","COc3cc(C=O)c(OCc1cccnc1c2ccnn2C(C)C)cn3;COc1cc(C=O)c(OCc2cccnc2c3ccnn3C(C)C)cn1;CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC","InChI=1S/C19H20N4O3/c1-13(2)23-16(6-8-22-23)19-14(5-4-7-20-19)12-26-17-10-21-18(25-3)9-15(17)11-24/h4-11,13H,12H2,1-3H3","","2016-12-05","2017-02-17","2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde","2017-02-22"],["QV6","3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid","C31 H28 N2 O8 S2","O=S(=O)(O)c1cc(c(cc1C)C)Nc4c3C(=O)c2ccccc2C(=O)c3c(cc4)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C;Cc1cc(C)c(cc1Nc2ccc(Nc3c(C)cc(C)c(c3C)[S](O)(=O)=O)c4C(=O)c5ccccc5C(=O)c24)[S](O)(=O)=O;Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C","InChI=1S/C31H28N2O8S2/c1-15-12-16(2)25(42(36,37)38)14-24(15)32-22-10-11-23(27-26(22)29(34)20-8-6-7-9-21(20)30(27)35)33-28-17(3)13-18(4)31(19(28)5)43(39,40)41/h6-14,32-33H,1-5H3,(H,36,37,38)(H,39,40,41)","","2011-03-01","2011-06-24","3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid",""],["7SK","(2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid","C24 H27 N O4","C(=O)(O)C(c4c(c2ccc1OCCCc1c2)c3ccccc3n4C)OC(C)(C)C;Cn1c2ccccc2c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O;CC(C)(C)OC(c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O","InChI=1S/C24H27NO4/c1-24(2,3)29-22(23(26)27)21-20(17-9-5-6-10-18(17)25(21)4)16-11-12-19-15(14-16)8-7-13-28-19/h5-6,9-12,14,22H,7-8,13H2,1-4H3,(H,26,27)/t22-/m0/s1","","2016-10-24","2016-10-28","(2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid","2016-11-02"],["QV7","3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid","C22 H16 N4 O13 S4","O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4;Oc1c(cc2cc(ccc2c1N=Nc3ccc(cc3[S](O)(=O)=O)N=Nc4ccc(cc4)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;c1cc(ccc1N=Nc2ccc(c(c2)S(=O)(=O)O)N=Nc3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+","Ponceau S","2011-03-01","2020-06-17","3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid",""],["QV8","9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid","C20 H13 N O5 S","O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4;O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1;c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O","InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26)","Acid blue 25","2011-03-04","2021-03-01","9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid",""],["7SL","5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide","C9 H9 N3 O2","CNC(=O)c1cc([nH]n1)c2occc2;CNC(=O)c1cc([nH]n1)c2ccco2","InChI=1S/C9H9N3O2/c1-10-9(13)7-5-6(11-12-7)8-3-2-4-14-8/h2-5H,1H3,(H,10,13)(H,11,12)","5-(Furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide","2021-08-24","2021-10-15","5-(furan-2-yl)-~{N}-methyl-1~{H}-pyrazole-3-carboxamide","2021-10-20"],["7SM","6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","C30 H33 N O5","c4c(CN(C1CC1)C(c3ccc(c2cccc(c2)OC)cc3)=O)c(OCCCCCC(=O)O)ccc4;COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4;COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4","InChI=1S/C30H33NO5/c1-35-27-10-7-9-24(20-27)22-13-15-23(16-14-22)30(34)31(26-17-18-26)21-25-8-4-5-11-28(25)36-19-6-2-3-12-29(32)33/h4-5,7-11,13-16,20,26H,2-3,6,12,17-19,21H2,1H3,(H,32,33)","","2016-12-05","2017-03-17","6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","2017-03-22"],["QV9","(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one","C19 H15 Cl N2 O","Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O;Clc1cccc(c1)[CH]2CCN(C2=O)c3cncc4ccccc34;c1ccc2c(c1)cncc2N3CCC(C3=O)c4cccc(c4)Cl","InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1","","2023-08-21","2023-11-03","(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one","2023-11-08"],["7SN","[(2R,3S,4R,5R)-5-(2-azanyl-5-carbamimidoyl-4-oxidanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C12 H17 N6 O8 P","NC(=N)c1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)C(=N)N","InChI=1S/C12H17N6O8P/c13-8(14)3-1-18(9-5(3)10(21)17-12(15)16-9)11-7(20)6(19)4(26-11)2-25-27(22,23)24/h1,4,6-7,11,19-20H,2H2,(H3,13,14)(H2,22,23,24)(H3,15,16,17,21)/t4-,6-,7-,11-/m1/s1","archaeosine-5'-monophosphate","2021-10-20","2022-04-29","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-5-carbamimidoyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-05-04"],["QVA","(2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid","C7 H11 N O7 S","NC(CSC(C(O)=O)C(O)C(O)=O)C(O)=O;N[CH](CS[CH]([CH](O)C(O)=O)C(O)=O)C(O)=O;C(C(C(=O)O)N)SC(C(C(=O)O)O)C(=O)O","InChI=1S/C7H11NO7S/c8-2(5(10)11)1-16-4(7(14)15)3(9)6(12)13/h2-4,9H,1,8H2,(H,10,11)(H,12,13)(H,14,15)/t2-,3-,4-/m0/s1","","2019-12-20","2024-09-27","(2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid","2020-12-30"],["7SO","N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","C27 H19 Cl N8 O2","Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(c4cccc(C#N)c4)c3C2=O)cn1;Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(c5cccc(c5)C#N)c3C2=O;Cn1cc(cn1)C#CCN2C=Nc3c(c(cn3CC(=O)Nc4ccncc4Cl)c5cccc(c5)C#N)C2=O","InChI=1S/C27H19ClN8O2/c1-34-14-19(12-32-34)5-3-9-35-17-31-26-25(27(35)38)21(20-6-2-4-18(10-20)11-29)15-36(26)16-24(37)33-23-7-8-30-13-22(23)28/h2,4,6-8,10,12-15,17H,9,16H2,1H3,(H,30,33,37)","","2021-08-19","2022-08-19","N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-08-24"],["QVB","5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide","C18 H16 Cl F N2 O2","CC(C)Oc1ccccc1c2c([nH]c3cc(F)c(Cl)cc23)C(N)=O;CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl","InChI=1S/C18H16ClFN2O2/c1-9(2)24-15-6-4-3-5-10(15)16-11-7-12(19)13(20)8-14(11)22-17(16)18(21)23/h3-9,22H,1-2H3,(H2,21,23)","","2020-08-13","2020-09-18","5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide","2020-09-23"],["QVC","(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine","C15 H11 N5 O","Cc1nc(on1)c1cc(ncc1)c1ccnc2[NH]ccc21;Cc1noc(n1)c2ccnc(c2)c3ccnc4[nH]ccc34;Cc1nc(on1)c2ccnc(c2)c3ccnc4c3cc[nH]4","InChI=1S/C15H11N5O/c1-9-19-15(21-20-9)10-2-5-16-13(8-10)11-3-6-17-14-12(11)4-7-18-14/h2-8H,1H3,(H,17,18)","","2022-06-14","2022-07-01","(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine","2022-07-06"],["7SP","(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide","C19 H17 N3 O2","O=C(NN=Cc2c1ccccc1c(O)cc2)C(c3ccccc3)N;N[CH](C(=O)NN=Cc1ccc(O)c2ccccc12)c3ccccc3;c1ccc(cc1)C(C(=O)NN=Cc2ccc(c3c2cccc3)O)N","InChI=1S/C19H17N3O2/c20-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(23)16-9-5-4-8-15(14)16/h1-12,18,23H,20H2,(H,22,24)/b21-12+/t18-/m1/s1","","2011-08-11","2012-07-27","(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide",""],["7SQ","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole","C9 H5 Cl F3 N3","FC(F)(F)c1cc(ccc1Cl)n2ccnn2;c1cc(c(cc1n2ccnn2)C(F)(F)F)Cl","InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H","","2021-08-24","2022-09-02","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole","2022-09-07"],["QVE","8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid","C12 H10 N2 O5","Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O","InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18)","","2016-05-24","2024-09-27","8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid","2017-03-01"],["QVG","(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H13 Cl F2 N2 O2","Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21;Fc1ccc2cncc(NC(=O)[CH]3CCOc4cc(F)c(Cl)cc34)c2c1;c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(c(c4)F)Cl","InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1","","2023-08-21","2023-11-03","(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7SR","(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C30 H33 Br N4 O3","CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3)Br)Cc4cccc5c4cccc5","InChI=1S/C30H33BrN4O3/c1-3-20(2)28-29(37)33(18-23-9-6-8-22-7-4-5-10-25(22)23)19-26-34(16-15-27(36)35(26)28)30(38)32-17-21-11-13-24(31)14-12-21/h4-14,20,26,28H,3,15-19H2,1-2H3,(H,32,38)/t20-,26+,28-/m0/s1","","2021-10-21","2022-06-03","(6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2022-06-08"],["7SS","6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","C30 H33 N O5","c4c(CN(C1CC1)C(c2ccc(cc2)c3ccc(cc3)OC)=O)c(ccc4)OCCCCCC(O)=O;COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4;COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4","InChI=1S/C30H33NO5/c1-35-27-18-14-23(15-19-27)22-10-12-24(13-11-22)30(34)31(26-16-17-26)21-25-7-4-5-8-28(25)36-20-6-2-3-9-29(32)33/h4-5,7-8,10-15,18-19,26H,2-3,6,9,16-17,20-21H2,1H3,(H,32,33)","","2016-12-05","2017-03-17","6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","2017-03-22"],["QVI","4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide","C24 H29 N7 O2","NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]nnn4;c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)C4CCC(CC4)CN","InChI=1S/C24H29N7O2/c25-15-17-6-8-19(9-7-17)23(32)27-21(14-16-4-2-1-3-5-16)24(33)26-20-12-10-18(11-13-20)22-28-30-31-29-22/h1-5,10-13,17,19,21H,6-9,14-15,25H2,(H,26,33)(H,27,32)(H,28,29,30,31)/t17-,19-,21-/m0/s1","","2022-11-15","2023-09-08","4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide","2023-09-13"],["7ST","N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","C32 H28 Cl N9 O4","N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(CC#Cc3cn(C)nc3)C(=O)c12;Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4cc(ncc4Cl)N5CCOCC5)cc(c6cc(C)c(O)c(c6)C#N)c3C2=O;Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)CC#Cc4cnn(c4)C)CC(=O)Nc5cc(ncc5Cl)N6CCOCC6","InChI=1S/C32H28ClN9O4/c1-20-10-22(11-23(13-34)30(20)44)24-17-42(18-28(43)38-26-12-27(35-15-25(26)33)40-6-8-46-9-7-40)31-29(24)32(45)41(19-36-31)5-3-4-21-14-37-39(2)16-21/h10-12,14-17,19,44H,5-9,18H2,1-2H3,(H,35,38,43)","","2021-08-19","2022-08-19","N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-08-24"],["QVJ","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C23 H22 Cl N3 O4","CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;CNC(=O)COC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CNC(=O)COCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C23H22ClN3O4/c1-25-21(28)13-30-14-23(8-9-31-20-7-6-16(24)10-18(20)23)22(29)27-19-12-26-11-15-4-2-3-5-17(15)19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,28)(H,27,29)/t23-/m0/s1","","2023-08-21","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7SU","(E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid ","C25 H18 Cl3 F N2 O4","Cc1cn(C(=O)c2c(onc2c3c(Cl)cc(Cl)cc3Cl)C(C)(C)F)c4cccc(C=CC(O)=O)c14;Cc1cn(c2c1c(ccc2)C=CC(=O)O)C(=O)c3c(noc3C(C)(C)F)c4c(cc(cc4Cl)Cl)Cl","InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+","(2E)-3-(1-{[5-(2-Fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1H-indol-4-yl)prop-2-enoic acid","2021-08-25","2022-07-08","(~{E})-3-[1-[[5-(2-fluoranylpropan-2-yl)-3-[2,4,6-tris(chloranyl)phenyl]-1,2-oxazol-4-yl]carbonyl]-3-methyl-indol-4-yl]prop-2-enoic acid","2022-07-13"],["QVK","5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide","C15 H11 Cl N2 O","NC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3;c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl","InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19)","","2020-08-14","2020-09-18","5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide","2020-09-23"],["QVL","N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide","C11 H11 N7 O","O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1;CN(C(=O)c1cnc2[nH]cc(C)c2c1)c3[nH]nnn3;Cc1c[nH]c2c1cc(cn2)C(=O)N(C)c3[nH]nnn3","InChI=1S/C11H11N7O/c1-6-4-12-9-8(6)3-7(5-13-9)10(19)18(2)11-14-16-17-15-11/h3-5H,1-2H3,(H,12,13)(H,14,15,16,17)","","2022-06-14","2022-07-01","N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide","2022-07-06"],["7SV","6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","C29 H30 F N O4","c4(c(CN(C(c1ccc(cc1)c2ccccc2F)=O)C3CC3)cccc4)OCCCCCC(=O)O;OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F;c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O","InChI=1S/C29H30FNO4/c30-26-10-5-4-9-25(26)21-13-15-22(16-14-21)29(34)31(24-17-18-24)20-23-8-3-6-11-27(23)35-19-7-1-2-12-28(32)33/h3-6,8-11,13-16,24H,1-2,7,12,17-20H2,(H,32,33)","","2016-12-05","2017-03-17","6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","2017-03-22"],["QVM","(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal","C22 H30 O2","C1(C(=C(CC(O)C1)C)C=CC(C)=CC=CC(=CC=CC=O)C)(C)C;CC1=C(C=CC(C)=CC=CC(C)=CC=CC=O)C(C)(C)C[CH](O)C1;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=O)C)C","InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1","","2019-12-31","2020-07-03","(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal","2020-07-08"],["7SW","3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid","C31 H53 N O4","C[CH](CCC(=O)NCCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O;CC(CCC(=O)NCCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CC(C)(C)O)C)C","InChI=1S/C31H53NO4/c1-20(6-11-27(33)32-17-14-28(34)35)24-9-10-25-23-8-7-22-18-21(19-29(2,3)36)12-15-30(22,4)26(23)13-16-31(24,25)5/h20-26,36H,6-19H2,1-5H3,(H,32,33)(H,34,35)/t20-,21-,22-,23+,24-,25+,26+,30+,31-/m1/s1","","2021-10-22","2022-03-04","3-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid","2022-03-09"],["QVN","3-(3-phenylpropyl)-2-oxoglutarate","C14 H16 O5","OC(=O)[CH](CCCc1ccccc1)CC(=O)C(O)=O;c1ccc(cc1)CCCC(CC(=O)C(=O)O)C(=O)O","InChI=1S/C14H16O5/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,16,17)(H,18,19)/t11-/m0/s1","(4~{S})-2-oxidanylidene-4-(3-phenylpropyl)pentanedioic acid","2020-08-14","2021-08-20","(4~{S})-2-oxidanylidene-4-(3-phenylpropyl)pentanedioic acid","2021-08-25"],["7SX","[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","C12 H14 N O4 P","Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2;Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O;Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C","InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17)","","2018-04-17","2019-04-12","[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","2019-04-17"],["7SY","6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","C29 H30 F N O4","c4c(CN(C1CC1)C(c3ccc(c2cc(F)ccc2)cc3)=O)c(ccc4)OCCCCCC(O)=O;OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(F)c4;c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O","InChI=1S/C29H30FNO4/c30-25-9-6-8-23(19-25)21-12-14-22(15-13-21)29(34)31(26-16-17-26)20-24-7-3-4-10-27(24)35-18-5-1-2-11-28(32)33/h3-4,6-10,12-15,19,26H,1-2,5,11,16-18,20H2,(H,32,33)","","2016-12-05","2017-03-17","6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid","2017-03-22"],["QVO","2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide","C22 H14 Cl N7 O3","Clc1cccc(c1)C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4)C5=C2C(=O)N=C5;c1cc(cc(c1)Cl)C2=CC(=O)N(C3=C2C(=O)N=C3)CC(=O)Nc4ccc(cc4)c5[nH]nnn5","InChI=1S/C22H14ClN7O3/c23-14-3-1-2-13(8-14)16-9-19(32)30(17-10-24-22(33)20(16)17)11-18(31)25-15-6-4-12(5-7-15)21-26-28-29-27-21/h1-10H,11H2,(H,25,31)(H,26,27,28,29)","","2022-11-15","2023-09-08","2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide","2023-09-13"],["QVP","4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid","C19 H17 N O2 S","c3c(c2c(C(O)=O)sc(CCCc1ccccc1)n2)cccc3;OC(=O)c1sc(CCCc2ccccc2)nc1c3ccccc3;c1ccc(cc1)CCCc2nc(c(s2)C(=O)O)c3ccccc3","InChI=1S/C19H17NO2S/c21-19(22)18-17(15-11-5-2-6-12-15)20-16(23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,21,22)","","2020-01-02","2023-04-07","4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid","2023-04-12"],["7SZ","N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","C33 H31 Cl N10 O3","Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4cc(ncc4Cl)N4CCN(C)CC4)cc(c4cc(C#N)c(O)c(C)c4)c3C2=O)cn1;CN1CCN(CC1)c2cc(NC(=O)Cn3cc(c4cc(C)c(O)c(c4)C#N)c5C(=O)N(CC#Cc6cnn(C)c6)C=Nc35)c(Cl)cn2;Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)CC#Cc4cnn(c4)C)CC(=O)Nc5cc(ncc5Cl)N6CCN(CC6)C","InChI=1S/C33H31ClN10O3/c1-21-11-23(12-24(14-35)31(21)46)25-18-44(32-30(25)33(47)43(20-37-32)6-4-5-22-15-38-41(3)17-22)19-29(45)39-27-13-28(36-16-26(27)34)42-9-7-40(2)8-10-42/h11-13,15-18,20,46H,6-10,19H2,1-3H3,(H,36,39,45)","","2021-08-19","2022-08-19","N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-08-24"],["7T0","1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole","C9 H4 Cl2 F3 N3","FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl;c1cc(c(c(c1n2ccnn2)Cl)C(F)(F)F)Cl","InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H","1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole","2021-08-25","2022-09-02","1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole","2022-09-07"],["QVQ","3-(carboxycarbonyl)cyclopentane-1-carboxylic acid","C8 H10 O5","OC(=O)[CH]1CC[CH](C1)C(=O)C(O)=O;C1CC(CC1C(=O)C(=O)O)C(=O)O","InChI=1S/C8H10O5/c9-6(8(12)13)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1","(1~{R},3~{S})-3-(carboxycarbonyl)cyclopentane-1-carboxylic acid","2020-08-14","2021-08-20","(1~{R},3~{S})-3-(carboxycarbonyl)cyclopentane-1-carboxylic acid","2021-08-25"],["QVR","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol","C12 H15 N5 O3","CC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC=CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H15N5O3/c1-2-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h2-6,8-9,12,18-19H,1H3,(H2,13,14,15)/b3-2+/t6-,8-,9-,12-/m1/s1","","2016-12-22","2024-09-27","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol","2017-03-22"],["7T1","{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid","C21 H18 F3 N O3 S2","c1cc(C(F)(F)F)ccc1c2sc(c(n2)C)CSc3cc(C)c(cc3)OCC(=O)O;Cc1cc(SCc2sc(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O;Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C","InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)","","2016-12-05","2017-03-17","{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid","2017-03-22"],["7T2","(2S)-3-(4-chlorophenyl)-2-(methylamino)propanoic acid","C10 H12 Cl N O2","CN[CH](Cc1ccc(Cl)cc1)C(O)=O;CNC(Cc1ccc(cc1)Cl)C(=O)O","InChI=1S/C10H12ClNO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1","","2021-10-22","2024-09-27","(2~{S})-3-(4-chlorophenyl)-2-(methylamino)propanoic acid","2023-07-26"],["QVS","8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid","C10 H8 N2 O3","Nc1cccc2c(O)cc(nc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)O","InChI=1S/C10H8N2O3/c11-6-3-1-2-5-8(13)4-7(10(14)15)12-9(5)6/h1-4H,11H2,(H,12,13)(H,14,15)","","2016-05-24","2024-09-27","8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid","2017-03-01"],["QVT","4-ethyl-2-oxoglutarate","C7 H10 O5","CC[CH](CC(=O)C(O)=O)C(O)=O;CCC(CC(=O)C(=O)O)C(=O)O","InChI=1S/C7H10O5/c1-2-4(6(9)10)3-5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/t4-/m0/s1","(2~{S})-2-ethyl-4-oxidanylidene-pentanedioic acid","2020-08-14","2021-08-20","(2~{S})-2-ethyl-4-oxidanylidene-pentanedioic acid","2021-08-25"],["7T5","(2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide","C30 H35 F N4 O3","CC(C)C(=O)N1C[CH](C[CH]1CNC(=O)c2ccc(cc2)C#Cc3ccc(C)cc3)NC(=O)[CH]4C[CH](F)CN4;Cc1ccc(cc1)C#Cc2ccc(cc2)C(=O)NCC3CC(CN3C(=O)C(C)C)NC(=O)C4CC(CN4)F","InChI=1S/C30H35FN4O3/c1-19(2)30(38)35-18-25(34-29(37)27-14-24(31)16-32-27)15-26(35)17-33-28(36)23-12-10-22(11-13-23)9-8-21-6-4-20(3)5-7-21/h4-7,10-13,19,24-27,32H,14-18H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27-/m0/s1","","2021-08-25","2022-09-02","(2~{S},4~{S})-4-fluoranyl-~{N}-[(3~{R},5~{R})-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide","2022-09-07"],["7T6","(2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid","C9 H11 N O5 S","CO[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O;COC(C1N=C(C(=C)CS1)C(=O)O)C(=O)O","InChI=1S/C9H11NO5S/c1-4-3-16-7(6(15-2)9(13)14)10-5(4)8(11)12/h6-7H,1,3H2,2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1","","2021-10-22","2022-10-21","(2~{R})-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid","2022-10-26"],["QVU","(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C18 H14 Cl2 N4 O","Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21;Clc1cc2NCC[CH](C(=O)Nc3cncc4cnccc34)c2cc1Cl;c1cncc2c1c(cnc2)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl","InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1","","2023-08-21","2023-11-03","(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["7T7","N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide","C21 H23 N3 O3","N(C(c1ccc(cc1)NC(N2Cc3ccccc3C2)=O)=O)CC4CCOC4;O=C(Nc1ccc(cc1)C(=O)NC[CH]2CCOC2)N3Cc4ccccc4C3;c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NCC4CCOC4","InChI=1S/C21H23N3O3/c25-20(22-11-15-9-10-27-14-15)16-5-7-19(8-6-16)23-21(26)24-12-17-3-1-2-4-18(17)13-24/h1-8,15H,9-14H2,(H,22,25)(H,23,26)/t15-/m0/s1","","2016-12-05","2017-06-23","N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide","2017-06-28"],["QVV","benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate","C23 H25 N9 O5","CC(C)(NC(OCc1ccccc1)=O)C2=NC(=C(C(N2)=O)O)C(NCCn4c3ncnc(c3nc4)N)=O;CC(C)(NC(=O)OCc1ccccc1)C2=NC(=C(O)C(=O)N2)C(=O)NCCn3cnc4c(N)ncnc34;CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4","InChI=1S/C23H25N9O5/c1-23(2,31-22(36)37-10-13-6-4-3-5-7-13)21-29-14(16(33)20(35)30-21)19(34)25-8-9-32-12-28-15-17(24)26-11-27-18(15)32/h3-7,11-12,33H,8-10H2,1-2H3,(H,25,34)(H,31,36)(H2,24,26,27)(H,29,30,35)","SJ000988248","2020-01-02","2021-03-01","benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate","2021-02-10"],["7T8"," (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate","C31 H37 N O10","CC(=O)OC1CCC2(C)C(CC(OC(C)=O)C3(C)OC=4C=C(OC(=O)C=4C(O)C32)c2cccnc2)C1(C)COC(C)=O;CC(=O)OC[C]1(C)[CH](CC[C]2(C)[CH]1C[CH](OC(C)=O)[C]3(C)OC4=C([CH](O)[CH]23)C(=O)OC(=C4)c5cccnc5)OC(C)=O;CC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C","InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22-,23+,24+,26+,27-,29+,30+,31-/m1/s1","","2021-08-19","2021-09-17","(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate","2021-09-22"],["QVW","3-propyl-2-oxoglutarate","C8 H12 O5","CCC[CH](CC(O)=O)C(=O)C(O)=O;CCCC(CC(=O)O)C(=O)C(=O)O","InChI=1S/C8H12O5/c1-2-3-5(4-6(9)10)7(11)8(12)13/h5H,2-4H2,1H3,(H,9,10)(H,12,13)/t5-/m0/s1","(3~{S})-2-oxidanylidene-3-propyl-pentanedioic acid","2020-08-14","2021-08-20","(3~{S})-2-oxidanylidene-3-propyl-pentanedioic acid","2021-08-25"],["QVX","(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C22 H19 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(cc1)Nc1cccnc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(Nc4cccnc4)cc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)Nc4cccnc4)C(=O)O","InChI=1S/C22H19N3O4/c26-19-5-1-4-16-17(19)11-18(22(28)29)20(16)25-21(27)13-6-8-14(9-7-13)24-15-3-2-10-23-12-15/h1-10,12,18,20,24,26H,11H2,(H,25,27)(H,28,29)/t18-,20+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7T9","N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE","C17 H19 F N2 O2 S","Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3;CC(C)[S](=O)(=O)N[CH]1Cc2ccc(cc2C1)c3ccc(F)nc3;CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)c3ccc(nc3)F","InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1","","2010-06-14","2011-06-04","N-[(2S)-5-(6-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide",""],["7TA","N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide","C23 H26 N4 O2","N(C(n2cc1c(ccnc1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)C)cc4;CC(C)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccncc4c3)cc2;CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3","InChI=1S/C23H26N4O2/c1-16(2)22(28)26-11-8-18(9-12-26)17-3-5-21(6-4-17)25-23(29)27-14-19-7-10-24-13-20(19)15-27/h3-7,10,13-16,18H,8-9,11-12H2,1-2H3,(H,25,29)","","2016-12-05","2017-06-23","N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide","2017-06-28"],["QVY","1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol","C15 H16 N2 O2","c23C(C1C(COCC1)O)n4c(c2cccc3)cnc4;O[CH]1COCC[CH]1[CH]2n3cncc3c4ccccc24;c1ccc2c(c1)-c3cncn3C2C4CCOCC4O","InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1","","2020-01-02","2020-05-01","1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol","2020-05-06"],["QVZ","3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate","C21 H20 O5","CC1(C)c2ccccc2c3ccc(C[CH](CC(O)=O)C(=O)C(O)=O)cc13;CC1(c2ccccc2-c3c1cc(cc3)CC(CC(=O)O)C(=O)C(=O)O)C","InChI=1S/C21H20O5/c1-21(2)16-6-4-3-5-14(16)15-8-7-12(10-17(15)21)9-13(11-18(22)23)19(24)20(25)26/h3-8,10,13H,9,11H2,1-2H3,(H,22,23)(H,25,26)/t13-/m0/s1","(3~{S})-3-[(9,9-dimethylfluoren-2-yl)methyl]-2-oxidanylidene-pentanedioic acid","2020-08-14","2021-08-20","(3~{S})-3-[(9,9-dimethylfluoren-2-yl)methyl]-2-oxidanylidene-pentanedioic acid","2021-08-25"],["7TB","2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate","C29 H43 N2 O4","CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC;CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC","InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1","","2022-03-01","2022-04-29","diethyl-methyl-[2-[4-[(2-octoxyphenyl)carbonylamino]phenyl]carbonyloxyethyl]azanium","2022-05-04"],["7TC","(2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid","C11 H15 N O4","C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C;CC1C(N=C(C1=C)C(=O)O)C(C=O)C(C)O","InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1","","2021-10-22","2024-09-27","(2~{R},3~{S})-3-methyl-4-methylidene-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid","2022-10-26"],["QW0","(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide","C21 H16 Cl2 N10 O","Nc1n[nH]c2cc(ccc12)c3[nH]c(CNC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)nc3Cl;c1cc2c(cc1c3c(nc([nH]3)CNC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)Cl)[nH]nc2N","InChI=1S/C21H16Cl2N10O/c22-13-3-5-16(33-10-26-31-32-33)11(7-13)2-6-18(34)25-9-17-27-19(20(23)28-17)12-1-4-14-15(8-12)29-30-21(14)24/h1-8,10H,9H2,(H,25,34)(H,27,28)(H3,24,29,30)/b6-2+","","2022-11-15","2023-09-08","(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide","2023-09-13"],["QW1","(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide","C20 H17 Cl N4 O2","NC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;NC(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C(=O)N","InChI=1S/C20H17ClN4O2/c21-14-6-5-13-10-25(20(22)27)11-17(16(13)7-14)19(26)24-18-9-23-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H2,22,27)(H,24,26)/t17-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide","2023-11-08"],["7TD","N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide","C16 H21 N3 O4","C(C(NO)=O)(C(C)(C)N)NC(=O)c1ccc(OCC#CC)cc1;CC#CCOc1ccc(cc1)C(=O)N[CH](C(=O)NO)C(C)(C)N;CC#CCOc1ccc(cc1)C(=O)NC(C(=O)NO)C(C)(C)N","InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1","","2016-12-05","2017-06-02","N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide","2017-06-07"],["7TE","(S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid","C10 H14 N5 O6 P","O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O;Nc1ncnc2n(cnc12)[CH]3OC[CH](OC[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(CO3)OCP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1","","2021-08-19","2022-08-24","({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphonic acid","2022-08-24"],["QW2","(4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid","C8 H12 O5","CCC[CH](CC(=O)C(O)=O)C(O)=O;CCCC(CC(=O)C(=O)O)C(=O)O","InChI=1S/C8H12O5/c1-2-3-5(7(10)11)4-6(9)8(12)13/h5H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1","","2020-08-14","2021-08-20","(4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid","2021-08-25"],["QW3","(1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O6","O=C(NC1CC1)Nc1ccc(c(O)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3O)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O6/c25-16-3-1-2-12-14(16)9-15(20(28)29)18(12)24-19(27)13-7-6-11(8-17(13)26)23-21(30)22-10-4-5-10/h1-3,6-8,10,15,18,25-26H,4-5,9H2,(H,24,27)(H,28,29)(H2,22,23,30)/t15-,18+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7TF","(2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide","C34 H40 F N5 O4","F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](N(C2)C(=O)C3CC3)C(=O)NCc4ccc(cc4)C#Cc5ccc(CN6CCOCC6)cc5;c1cc(ccc1CNC(=O)C2CC(CN2C(=O)C3CC3)NC(=O)C4CC(CN4)F)C#Cc5ccc(cc5)CN6CCOCC6","InChI=1S/C34H40FN5O4/c35-28-17-30(36-20-28)32(41)38-29-18-31(40(22-29)34(43)27-11-12-27)33(42)37-19-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)21-39-13-15-44-16-14-39/h3-10,27-31,36H,11-22H2,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1","","2021-08-25","2022-09-02","(2~{R},4~{R})-1-cyclopropylcarbonyl-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-~{N}-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide","2022-09-07"],["7TG","[(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate","C20 H31 N2 O6 P","CN[CH]1CN2[CH](Cc3ccc(OC)cc3)[CH](O)[CH]4C[C]2(CC[CH]4O[P](O)(O)=O)C1;CNC1CC23CCC(C(C2)C(C(N3C1)Cc4ccc(cc4)OC)O)OP(=O)(O)O","InChI=1S/C20H31N2O6P/c1-21-14-10-20-8-7-18(28-29(24,25)26)16(11-20)19(23)17(22(20)12-14)9-13-3-5-15(27-2)6-4-13/h3-6,14,16-19,21,23H,7-12H2,1-2H3,(H2,24,25,26)/t14-,16-,17-,18-,19-,20+/m0/s1","","2021-10-25","2023-12-08","[(1~{S},3~{S},6~{S},7~{S},8~{R},9~{S})-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^{1,5}]dodecan-9-yl] dihydrogen phosphate","2023-12-13"],["QW4","2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium","C21 H19 N2 O S","C=3N(C)c4ccccc4C(=Cc1[n+](CC(C)=O)c2c(s1)cccc2)C=3;CN1C=CC(=Cc2sc3ccccc3[n+]2CC(C)=O)c4ccccc14;CC(=O)C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cccc4)C","InChI=1S/C21H19N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-13H,14H2,1-2H3/q+1","","2020-01-03","2020-05-15","2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium","2020-05-20"],["QW5","5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide","C16 H13 Cl N2 O2","COc1cccc(c1)c2c([nH]c3ccc(Cl)cc23)C(N)=O;COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl","InChI=1S/C16H13ClN2O2/c1-21-11-4-2-3-9(7-11)14-12-8-10(17)5-6-13(12)19-15(14)16(18)20/h2-8,19H,1H3,(H2,18,20)","","2020-08-14","2020-09-18","5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide","2020-09-23"],["7TH","5-nitro-2-[(3-phenylpropyl)amino]benzoic acid","C16 H16 N2 O4","[O-][N+](=O)c1ccc(NCCCc2ccccc2)c(c1)C(=O)O;OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+]([O-])=O;c1ccc(cc1)CCCNc2ccc(cc2C(=O)O)[N+](=O)[O-]","InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)","","2021-08-20","2022-08-19","5-nitro-2-[(3-phenylpropyl)amino]benzoic acid","2022-08-24"],["7TI","4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide","C8 H8 Cl3 N3 O4 S2","Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O;c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl","InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)","clorsulon","2021-08-31","2022-09-02","4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide","2022-09-07"],["QW6","4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid","C28 H28 Cl N3 O6","COC1=C(CC(=O)N(C1)[CH](C[CH]2CCCCO2)C(=O)Nc3ccc(cc3)C(O)=O)c4cc(Cl)ccc4C#N;COC1=C(CC(=O)N(C1)C(CC2CCCCO2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc(ccc4C#N)Cl","InChI=1S/C28H28ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,21,24H,2-4,11,13-14,16H2,1H3,(H,31,34)(H,35,36)/t21-,24-/m0/s1","","2022-11-15","2023-09-08","4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid","2023-09-13"],["QW7","1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole","C27 H27 Cl2 N3 O","CC(c1c(ccc(c1Cl)OC)Cl)n5cnc4ccc(c3c(C2NCCCC2)cccc3)cc45;COc1ccc(Cl)c([CH](C)n2cnc3ccc(cc23)c4ccccc4[CH]5CCCCN5)c1Cl;CC(c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4C5CCCCN5","InChI=1S/C27H27Cl2N3O/c1-17(26-21(28)11-13-25(33-2)27(26)29)32-16-31-23-12-10-18(15-24(23)32)19-7-3-4-8-20(19)22-9-5-6-14-30-22/h3-4,7-8,10-13,15-17,22,30H,5-6,9,14H2,1-2H3/t17-,22-/m1/s1","","2020-01-03","2020-07-17","1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole","2020-07-22"],["7TJ","N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE","C28 H22 Cl F3 N4 O4","Clc4nc(c3ccc(N(C(=O)c1ccc(O)cc1O)Cc2ccc(cc2)CNC(=O)C(F)(F)F)cc3)c(cn4)C;Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CNC(=O)C(F)(F)F)cc3)C(=O)c4ccc(O)cc4O;Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl","InChI=1S/C28H22ClF3N4O4/c1-16-13-34-27(29)35-24(16)19-6-8-20(9-7-19)36(25(39)22-11-10-21(37)12-23(22)38)15-18-4-2-17(3-5-18)14-33-26(40)28(30,31)32/h2-13,37-38H,14-15H2,1H3,(H,33,40)","","2014-10-06","2014-11-28","N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide","2014-12-03"],["7TK","(3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid","C8 H14 N2 O3","N[CH](CC(O)=O)C(=O)N1CCCC1;C1CCN(C1)C(=O)C(CC(=O)O)N","InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1","","2021-10-25","2024-09-27","(3~{S})-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid","2023-07-26"],["QW8","naphthalene-1,3,6,8-tetrol","C10 H8 O4","Oc1cc(O)c2c(O)cc(O)cc2c1;c1c2cc(cc(c2c(cc1O)O)O)O","InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H","1,3,6,8-tetrahydroxynaphthalene","2023-08-30","2024-03-08","naphthalene-1,3,6,8-tetrol","2024-03-13"],["7TL","(2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid","C21 H18 Cl F3 N4 O4 S","COC(=O)C1=C(CN2CC(F)(F)C[CH]2C(O)=O)NC(=N[CH]1c3ccc(F)cc3Cl)c4sccn4;COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3nccs3)CN4CC(CC4C(=O)O)(F)F","InChI=1S/C21H18ClF3N4O4S/c1-33-20(32)15-13(8-29-9-21(24,25)7-14(29)19(30)31)27-17(18-26-4-5-34-18)28-16(15)11-3-2-10(23)6-12(11)22/h2-6,14,16H,7-9H2,1H3,(H,27,28)(H,30,31)/t14-,16-/m0/s1","","2016-12-07","2017-02-17","(2~{S})-1-[[(4~{R})-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid","2017-02-22"],["QW9","[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone","C22 H21 N3 O4","c1(c(c(OC)cc(c1)C(=O)c2cnc(n2)c4c3c(cccc3nc4)C)OC)OC;COc1cc(cc(OC)c1OC)C(=O)c2[nH]c(nc2)c3c[nH]c4cccc(C)c34;Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC","InChI=1S/C22H21N3O4/c1-12-6-5-7-15-19(12)14(10-23-15)22-24-11-16(25-22)20(26)13-8-17(27-2)21(29-4)18(9-13)28-3/h5-11,23H,1-4H3,(H,24,25)","","2018-01-17","2019-07-05","[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone","2019-07-10"],["7TM","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate","C36 H42 N6 O5 S","O=C(Oc1ccc(cc1)CC2N(Cc4cc(C#N)ccc4N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5)NCCCCCC;CCCCCCNC(=O)Oc1ccc(C[CH]2CN(Cc3cncn3C)c4ccc(cc4CN2[S](=O)(=O)c5ccc(OC)cc5)C#N)cc1;CCCCCCNC(=O)Oc1ccc(cc1)CC2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C","InChI=1S/C36H42N6O5S/c1-4-5-6-7-18-39-36(43)47-33-11-8-27(9-12-33)20-30-24-41(25-31-22-38-26-40(31)2)35-17-10-28(21-37)19-29(35)23-42(30)48(44,45)34-15-13-32(46-3)14-16-34/h8-17,19,22,26,30H,4-7,18,20,23-25H2,1-3H3,(H,39,43)/t30-/m1/s1","","2012-09-06","2012-10-19","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate","2012-10-19"],["QWB","3-(imidazol-1-ylmethyl)-1~{H}-indole","C12 H11 N3","C(n1ccnc1)c2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)Cn3ccnc3","InChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2","Cpd1","2020-08-14","2021-10-08","3-(imidazol-1-ylmethyl)-1~{H}-indole","2021-10-13"],["QWC","(1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O6","O=C(NC1CC1)Nc1ccc(c(O)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3O)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O6/c25-16-3-1-2-12-14(16)9-15(20(28)29)18(12)24-19(27)13-7-6-11(8-17(13)26)23-21(30)22-10-4-5-10/h1-3,6-8,10,15,18,25-26H,4-5,9H2,(H,24,27)(H,28,29)(H2,22,23,30)/t15-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7TN","Iguratimod","C17 H14 N2 O6 S","CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1;C[S](=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3;CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=CO2)NC=O","InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)","T 614; T-614; T614; N-(7-(Methylsulfonamido)-4-oxo-6-phenoxy-4H-chromen-3-yl)formamide; Careram; Kolbet","2021-08-20","2024-04-26","N-{7-[(methanesulfonyl)amino]-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl}formamide","2024-05-01"],["7TO","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate","C30 H28 F3 N5 O6 S2","FC(F)(F)S(=O)(=O)Oc1ccc(cc1)CC2N(Cc4cc(C#N)ccc4N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5;COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[CH]2Cc4ccc(O[S](=O)(=O)C(F)(F)F)cc4)Cc5cncn5C)C#N;Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F","InChI=1S/C30H28F3N5O6S2/c1-36-20-35-16-25(36)19-37-18-24(14-21-3-6-27(7-4-21)44-46(41,42)30(31,32)33)38(17-23-13-22(15-34)5-12-29(23)37)45(39,40)28-10-8-26(43-2)9-11-28/h3-13,16,20,24H,14,17-19H2,1-2H3/t24-/m1/s1","","2012-09-06","2012-10-19","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate","2012-10-19"],["QWE","amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip\neridin-1-yl}pentyl]amino}methaniminium","C29 H40 N7 O4 S2","O=C(c1nccs1)CCC4N(C(=O)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N)CCCC4;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N3CCCC[CH]3CCC(=O)c4sccn4;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=[NH2+])N)C(=O)N3CCCCC3CCC(=O)c4nccs4","InChI=1S/C29H39N7O4S2/c1-35(2)24-12-5-10-22-21(24)9-6-13-26(22)42(39,40)34-23(11-7-16-33-29(30)31)28(38)36-18-4-3-8-20(36)14-15-25(37)27-32-17-19-41-27/h5-6,9-10,12-13,17,19-20,23,34H,3-4,7-8,11,14-16,18H2,1-2H3,(H4,30,31,33)/p+1/t20-,23+/m1/s1","RWJ-50215","2009-07-02","2020-06-17","amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]piperidin-1-yl}pentyl]amino}methaniminium",""],["QWF","(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid","C47 H71 N9 O16","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O;c1ccc(cc1)C=CCC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2CCC(CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/C47H71N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,33-37H,4-5,10-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t33-,34-,35-,36-,37-/m0/s1","","2022-11-15","2023-11-24","(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid","2023-11-29"],["7TP","5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde","C33 H32 N4 O6 S","O=Cc6oc(c1cc4c(cc1)N(Cc2cncn2C)CC(N(S(=O)(=O)c3ccc(OC)cc3)C4)Cc5ccc(O)cc5)cc6;COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[CH]2Cc4ccc(O)cc4)Cc5cncn5C)c6oc(C=O)cc6;Cn1cncc1CN2CC(N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O","InChI=1S/C33H32N4O6S/c1-35-22-34-17-27(35)20-36-19-26(15-23-3-6-28(39)7-4-23)37(44(40,41)31-11-8-29(42-2)9-12-31)18-25-16-24(5-13-32(25)36)33-14-10-30(21-38)43-33/h3-14,16-17,21-22,26,39H,15,18-20H2,1-2H3/t26-/m1/s1","","2012-09-06","2012-10-19","5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde","2012-10-19"],["7TQ","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate","C37 H36 N6 O5 S","O=C(Oc1ccc(cc1)CC2N(Cc4cc(C#N)ccc4N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5)NCc6ccccc6;COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[CH]2Cc4ccc(OC(=O)NCc5ccccc5)cc4)Cc6cncn6C)C#N;Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6","InChI=1S/C37H36N6O5S/c1-41-26-39-22-32(41)25-42-24-31(19-27-8-11-34(12-9-27)48-37(44)40-21-28-6-4-3-5-7-28)43(23-30-18-29(20-38)10-17-36(30)42)49(45,46)35-15-13-33(47-2)14-16-35/h3-18,22,26,31H,19,21,23-25H2,1-2H3,(H,40,44)/t31-/m1/s1","","2012-09-06","2012-10-19","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate","2012-10-19"],["QWG","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)","C22 H37 N3 O14 S2","n1nn(cc1CSCC2C(C(C(C(O2)SC3C(C(C(C(CO)O3)O)O)O)O)O)O)CC4C(O)C(O)C(C(OC)O4)O;CO[CH]1O[CH](Cn2cc(CSC[CH]3O[CH](S[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)nn2)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)Cn2cc(nn2)CSCC3C(C(C(C(O3)SC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O","InChI=1S/C22H37N3O14S2/c1-36-20-17(33)14(30)11(27)8(37-20)3-25-2-7(23-24-25)5-40-6-10-13(29)16(32)19(35)22(39-10)41-21-18(34)15(31)12(28)9(4-26)38-21/h2,8-22,26-35H,3-6H2,1H3/t8-,9-,10-,11-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+/m1/s1","","2020-01-08","2020-10-23","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)","2020-10-28"],["7TR","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate","C34 H38 N6 O5 S","O=C(Oc1ccc(cc1)CC2N(Cc4cc(C#N)ccc4N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5)N(CC)CC;CCN(CC)C(=O)Oc1ccc(C[CH]2CN(Cc3cncn3C)c4ccc(cc4CN2[S](=O)(=O)c5ccc(OC)cc5)C#N)cc1;CCN(CC)C(=O)Oc1ccc(cc1)CC2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C","InChI=1S/C34H38N6O5S/c1-5-38(6-2)34(41)45-31-10-7-25(8-11-31)18-28-22-39(23-29-20-36-24-37(29)3)33-16-9-26(19-35)17-27(33)21-40(28)46(42,43)32-14-12-30(44-4)13-15-32/h7-17,20,24,28H,5-6,18,21-23H2,1-4H3/t28-/m1/s1","","2012-09-06","2012-10-19","4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate","2012-10-19"],["QWH","~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide","C10 H13 Br N2 O","CCC(=O)Nc1cc(C)nc(C)c1Br;CCC(=O)Nc1cc(nc(c1Br)C)C","InChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14)","RA399","2020-08-14","2024-09-27","~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide","2021-10-13"],["7TS","(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate","C11 H14 N3 O7 P","n2c(C)c(O)c(CNC=1C(=O)NOC=1)c(c2)COP(O)(O)=O;Cc1ncc(CO[P](O)(O)=O)c(CNC2=CONC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O","InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)","","2016-12-06","2017-03-17","(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate","2017-03-22"],["QWI","6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE","C20 H24 N6","n5c1c(ncnc1N4CCC3(NCCC(c2ccccc2)C3)CC4)nc5;C1C[CH](CC2(CCN(CC2)c3ncnc4[nH]cnc34)N1)c5ccccc5;c1ccc(cc1)C2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4","InChI=1S/C20H24N6/c1-2-4-15(5-3-1)16-6-9-25-20(12-16)7-10-26(11-8-20)19-17-18(22-13-21-17)23-14-24-19/h1-5,13-14,16,25H,6-12H2,(H,21,22,23,24)/t16-/m1/s1","","2013-02-20","2014-09-05","(4R)-4-phenyl-9-(9H-purin-6-yl)-1,9-diazaspiro[5.5]undecane","2013-03-06"],["QWJ","6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside","C15 H24 O9 S2","C1(C(O)C(C(OC1CO)SC2C(C(C(C(CSCC#C)O2)O)O)O)O)O;OC[CH]1O[CH](S[CH]2O[CH](CSCC#C)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C#CCSCC1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C15H24O9S2/c1-2-3-25-5-7-9(18)11(20)13(22)15(24-7)26-14-12(21)10(19)8(17)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9-,10+,11+,12-,13-,14+,15+/m1/s1","","2020-01-08","2020-10-23","6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside","2020-10-28"],["7TT","Tetraphosphate","H6 O13 P4","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)","[oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate; [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate","2021-09-01","2023-03-17","[oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate","2023-03-22"],["7TU","(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole","C38 H34 N4","C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4;c1ccc(cc1)C2C(N(C=N2)Cc3cccc(c3)CN4C=NC(C4c5ccccc5)c6ccccc6)c7ccccc7","InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1","","2021-10-26","2022-10-14","(4~{S},5~{S})-1-[[3-[[(4~{S},5~{S})-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole","2022-10-19"],["QWK","~{N}-[6-(phenylmethyl)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-2-yl]propanamide","C17 H20 N4 O","CCC(=O)Nc1ncc2CN(CCc2n1)Cc3ccccc3;CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3","InChI=1S/C17H20N4O/c1-2-16(22)20-17-18-10-14-12-21(9-8-15(14)19-17)11-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3,(H,18,19,20,22)","RA303","2020-08-14","2024-09-27","~{N}-[6-(phenylmethyl)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-2-yl]propanamide","2021-10-13"],["QWL","(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C19 H14 Cl2 F N3 O","Fc1cc2c(cc1)cncc2NC(=O)C1CCNc2cc(Cl)c(Cl)cc21;Fc1ccc2cncc(NC(=O)[CH]3CCNc4cc(Cl)c(Cl)cc34)c2c1;c1cc2cncc(c2cc1F)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl","InChI=1S/C19H14Cl2FN3O/c20-15-6-14-12(3-4-24-17(14)7-16(15)21)19(26)25-18-9-23-8-10-1-2-11(22)5-13(10)18/h1-2,5-9,12,24H,3-4H2,(H,25,26)/t12-/m1/s1","","2023-08-21","2023-11-03","(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["7TV","6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C29 H33 N O5","c4c(CN(C1CCCC1)C(c2ccc(cc2)c3occc3)=O)c(OCCCCCC(=O)O)ccc4;OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4occc4;c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O","InChI=1S/C29H33NO5/c31-28(32)14-2-1-7-19-34-27-12-6-3-9-24(27)21-30(25-10-4-5-11-25)29(33)23-17-15-22(16-18-23)26-13-8-20-35-26/h3,6,8-9,12-13,15-18,20,25H,1-2,4-5,7,10-11,14,19,21H2,(H,31,32)","","2016-12-06","2017-03-17","6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["7TW","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid","C17 H15 N3 O4","[O-][N+](=O)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O;OC(=O)c1cc(ccc1NCCc2c[nH]c3ccccc23)[N+]([O-])=O;c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)[N+](=O)[O-]","InChI=1S/C17H15N3O4/c21-17(22)14-9-12(20(23)24)5-6-16(14)18-8-7-11-10-19-15-4-2-1-3-13(11)15/h1-6,9-10,18-19H,7-8H2,(H,21,22)","","2021-08-20","2022-08-19","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid","2022-08-24"],["QWM","N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine","C19 H23 F3 N6","c4(c2nc(NC(C)C1CC1)nc(n2)NC(C3CC3)C)nc(C(F)(F)F)ccc4;C[CH](Nc1nc(N[CH](C)C2CC2)nc(n1)c3cccc(n3)C(F)(F)F)C4CC4;CC(C1CC1)Nc2nc(nc(n2)NC(C)C3CC3)c4cccc(n4)C(F)(F)F","InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1","","2020-01-08","2020-01-31","N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine","2020-02-05"],["7TX","5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide","C25 H29 F N4 O3","CC(C)CCN1CC[CH](C1)NC(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F;CC(C)CCN1CCC(C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O","InChI=1S/C25H29FN4O3/c1-16(2)9-11-29-12-10-18(15-29)27-24(32)20-13-17(7-8-21(20)26)14-30-22-6-4-3-5-19(22)23(31)28-25(30)33/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,27,32)(H,28,31,33)/t18-/m1/s1","","2016-12-08","2017-01-20","5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-~{N}-[(3~{R})-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide","2017-01-25"],["QWN","6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine","C5 H2 Br Cl N4","Clc1nc2nn[nH]c2cc1Br;c1c2c(nc(c1Br)Cl)nn[nH]2","InChI=1S/C5H2BrClN4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)","","2020-08-14","2020-12-04","6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine","2020-12-09"],["7TY","6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C29 H33 N O5","c1c(c(ccc1)OCCCCCC(O)=O)CN(C2CCCC2)C(c4ccc(c3cocc3)cc4)=O;OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4cocc4;c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O","InChI=1S/C29H33NO5/c31-28(32)12-2-1-7-18-35-27-11-6-3-8-24(27)20-30(26-9-4-5-10-26)29(33)23-15-13-22(14-16-23)25-17-19-34-21-25/h3,6,8,11,13-17,19,21,26H,1-2,4-5,7,9-10,12,18,20H2,(H,31,32)","","2016-12-06","2017-03-17","6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["QWO","(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C22 H20 N4 O5 S","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(NC(=O)NC2CC2)c2ncsc12;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)c5ncsc35;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(c4c3scn4)NC(=O)NC5CC5)C(=O)O","InChI=1S/C22H20N4O5S/c27-16-3-1-2-11-13(16)8-14(21(29)30)17(11)26-20(28)12-6-7-15(18-19(12)32-9-23-18)25-22(31)24-10-4-5-10/h1-3,6-7,9-10,14,17,27H,4-5,8H2,(H,26,28)(H,29,30)(H2,24,25,31)/t14-,17+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QWP","mithramycin","C52 H76 O24","C1C(C)(O)C(O)C(C)OC1OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)OC4C(Cc5c(C4=O)c(O)c6c(c5)cc(c(c6O)C)OC7CC(C(C(O7)C)O)OC8OC(C)C(O)C(C8)O)C(C(=O)C(C(C)O)O)OC;CO[CH]([CH]1Cc2cc3cc(O[CH]4C[CH](O[CH]5C[CH](O)[CH](O)[CH](C)O5)[CH](O)[CH](C)O4)c(C)c(O)c3c(O)c2C(=O)[CH]1O[CH]6C[CH](O[CH]7C[CH](O[CH]8C[C](C)(O)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)[CH](O)[CH](C)O6)C(=O)[CH](O)[CH](C)O;Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)C(C(C)O)O)OC)OC4CC(C(C(O4)C)O)OC5CC(C(C(O5)C)O)OC6CC(C(C(O6)C)O)(C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)O","InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1","(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose","2020-01-08","2020-11-20","(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose","2020-11-25"],["7TZ","N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide","C32 H28 N6 O2","CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4;CCNC(=O)C(Cc1ccc(cc1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C","InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m0/s1","","2023-03-10","2023-08-25","~{N}-[(2~{S})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide","2023-08-30"],["7U0","4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide","C39 H44 N8 O5","NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5;c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5ccccc5n4)OCCN6CCCC6)OCCN)OCCN7CCCC7","InChI=1S/C39H44N8O5/c40-13-20-50-27-23-32(38(48)44-36-25-34(28-9-1-3-11-30(28)42-36)51-21-18-46-14-5-6-15-46)41-33(24-27)39(49)45-37-26-35(29-10-2-4-12-31(29)43-37)52-22-19-47-16-7-8-17-47/h1-4,9-12,23-26H,5-8,13-22,40H2,(H,42,44,48)(H,43,45,49)","","2022-03-01","2022-06-03","4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide","2022-06-08"],["QWQ","4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine","C26 H30 N2 O3","COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3;Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4","InChI=1S/C26H30N2O3/c1-18-22(20-9-7-19(8-10-20)17-28-11-5-6-12-28)15-27-16-23(18)21-13-24(29-2)26(31-4)25(14-21)30-3/h7-10,13-16H,5-6,11-12,17H2,1-4H3","","2020-08-14","2020-09-11","4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine","2020-09-16"],["7U1","6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid","C29 H31 N O4","c1cccc(c1CN(C2CC2)C(c3ccc(cc3)c4ccccc4)=O)OCCCCCC(O)=O;OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4","InChI=1S/C29H31NO4/c31-28(32)13-5-2-8-20-34-27-12-7-6-11-25(27)21-30(26-18-19-26)29(33)24-16-14-23(15-17-24)22-9-3-1-4-10-22/h1,3-4,6-7,9-12,14-17,26H,2,5,8,13,18-21H2,(H,31,32)","","2016-12-06","2017-03-17","6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid","2017-03-22"],["QWR","2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine","C25 H27 Br N8","CC1(C)CCN(CC1)Cc2ccc3nc(Cn4cc(nn4)c5cc(Br)cc6n[nH]cc56)cn3c2;CC1(CCN(CC1)Cc2ccc3nc(cn3c2)Cn4cc(nn4)c5cc(cc6c5c[nH]n6)Br)C","InChI=1S/C25H27BrN8/c1-25(2)5-7-32(8-6-25)12-17-3-4-24-28-19(14-33(24)13-17)15-34-16-23(30-31-34)20-9-18(26)10-22-21(20)11-27-29-22/h3-4,9-11,13-14,16H,5-8,12,15H2,1-2H3,(H,27,29)","","2022-11-15","2023-09-15","2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine","2023-09-20"],["7U2","(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine","C22 H27 F N4 O","Fc1ccccc1CN1CCC2(C1)COCc1c(C)nc(NCC3CC3)nc12;Cc1nc(NCC2CC2)nc3c1COC[C]34CCN(Cc5ccccc5F)C4;Cc1c2c(nc(n1)NCC3CC3)C4(CCN(C4)Cc5ccccc5F)COC2","InChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26)/t22-/m0/s1","","2021-08-20","2022-03-18","(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine","2022-03-23"],["QWS","4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide","C18 H19 N5 O3","O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC(C)C)cc3;CC(C)Oc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1;CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N","InChI=1S/C18H19N5O3/c1-10(2)26-12-7-6-11-4-3-5-15(13(11)8-12)23-9-14(21-18(20)25)16(22-23)17(19)24/h3-10H,1-2H3,(H2,19,24)(H3,20,21,25)","","2013-08-09","2014-03-28","4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide","2014-04-02"],["7U3","7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one","C13 H14 F N3 O2","Fc1ccc2C(=NNC(=O)c2c1)OC[CH]3CCNC3;c1cc2c(cc1F)C(=O)NN=C2OCC3CCNC3","InChI=1S/C13H14FN3O2/c14-9-1-2-10-11(5-9)12(18)16-17-13(10)19-7-8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H,16,18)/t8-/m1/s1","","2016-12-12","2017-01-20","7-fluoranyl-4-[[(3~{R})-pyrrolidin-3-yl]methoxy]-2~{H}-phthalazin-1-one","2017-01-25"],["QWT","1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one","C30 H38 N6 O4","COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C5CCCCCC5)C(=O)C4(C)C;CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C","InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)","2-cycloheptyl-5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-pyrazol-3-one","2020-08-17","2021-08-20","2-cycloheptyl-5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-pyrazol-3-one","2021-08-25"],["7U4","6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C28 H30 N2 O4","n4cccc(c1ccc(cc1)C(N(Cc2ccccc2OCCCCCC(O)=O)C3CC3)=O)c4;OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4;c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O","InChI=1S/C28H30N2O4/c31-27(32)10-2-1-5-18-34-26-9-4-3-7-24(26)20-30(25-15-16-25)28(33)22-13-11-21(12-14-22)23-8-6-17-29-19-23/h3-4,6-9,11-14,17,19,25H,1-2,5,10,15-16,18,20H2,(H,31,32)","","2016-12-06","2017-03-17","6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["QWU","(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide","C19 H16 Cl N3 O","Clc1cc2c(cc1)NCC2(C)C(=O)Nc1cncc2ccccc21;C[C]1(CNc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CC1(CNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C19H16ClN3O/c1-19(11-22-16-7-6-13(20)8-15(16)19)18(24)23-17-10-21-9-12-4-2-3-5-14(12)17/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1","","2023-08-21","2023-11-03","(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide","2023-11-08"],["QWV","N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","C59 H107 N O9","C(OC2C(C(C(O)C(COC(CCc1ccccc1)=O)O2)O)O)C(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](COC(=O)CCc2ccccc2)[CH](O)[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC(=O)CCc2ccccc2)O)O)O)C(CCCCCCCCCCCCCCC)O","InChI=1S/C59H107NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-54(62)60-51(52(61)44-40-35-33-31-29-27-16-14-12-10-8-6-4-2)48-68-59-58(66)57(65)56(64)53(69-59)49-67-55(63)47-46-50-42-38-37-39-43-50/h37-39,42-43,51-53,56-59,61,64-66H,3-36,40-41,44-49H2,1-2H3,(H,60,62)/t51-,52+,53+,56-,57-,58+,59-/m0/s1","","2017-11-20","2018-03-29","N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","2018-04-04"],["7U5","N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide","C32 H28 N6 O2","CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4;CCNC(=O)C(Cc1ccc(cc1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C","InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1","","2023-03-10","2023-09-08","~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide","2023-09-13"],["7U6","2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide","C13 H15 N5 O2","NC(=O)c1cccc2[nH]c(nc12)C(=O)N3CCNCC3;c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N","InChI=1S/C13H15N5O2/c14-11(19)8-2-1-3-9-10(8)17-12(16-9)13(20)18-6-4-15-5-7-18/h1-3,15H,4-7H2,(H2,14,19)(H,16,17)","","2016-12-12","2017-01-20","2-piperazin-1-ylcarbonyl-1~{H}-benzimidazole-4-carboxamide","2017-01-25"],["QWW","5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine","C5 H Br3 N4","Brc1nc2nn[nH]c2c(Br)c1Br;c12c(c(c(nc1nn[nH]2)Br)Br)Br","InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12)","","2020-08-17","2020-12-04","5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine","2020-12-09"],["QWX","(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H22 N4 O5","O=C(NC1CC1)Nc1ccc(c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;Nc1cc(NC(=O)NC2CC2)ccc1C(=O)N[CH]3[CH](Cc4c(O)cccc34)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3N)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H22N4O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9,22H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m1/s1","","2022-06-14","2022-07-01","(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7U7","6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C27 H29 N O5","c4c(CN(C1CC1)C(c3ccc(c2occc2)cc3)=O)c(OCCCCCC(O)=O)ccc4;OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4occc4;c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O","InChI=1S/C27H29NO5/c29-26(30)10-2-1-5-17-32-25-8-4-3-7-22(25)19-28(23-15-16-23)27(31)21-13-11-20(12-14-21)24-9-6-18-33-24/h3-4,6-9,11-14,18,23H,1-2,5,10,15-17,19H2,(H,29,30)","","2016-12-06","2017-03-17","6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["7U8","methyl 4-[5,6-bis(chloranyl)-1H-indol-3-yl]-3-(5-chloranyl-1H-indol-3-yl)-1H-pyrrole-2-carboxylate","C22 H14 Cl3 N3 O2","COC(=O)c1[nH]cc(c2c[nH]c3cc(Cl)c(Cl)cc23)c1c4c[nH]c5ccc(Cl)cc45;COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl","InChI=1S/C22H14Cl3N3O2/c1-30-22(29)21-20(14-8-26-18-3-2-10(23)4-11(14)18)15(9-28-21)13-7-27-19-6-17(25)16(24)5-12(13)19/h2-9,26-28H,1H3","Lynamicin B","2021-10-26","2022-02-25","methyl 4-[5,6-bis(chloranyl)-1~{H}-indol-3-yl]-3-(5-chloranyl-1~{H}-indol-3-yl)-1~{H}-pyrrole-2-carboxylate","2022-03-02"],["QWY","3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide","C21 H19 N5 O S2","c1ccccc1c2sc(nn2)NC(=O)c5sc3c(cc4c(n3)CCCCC4)c5N;Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4sc(nn4)c5ccccc5;c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N","InChI=1S/C21H19N5OS2/c22-16-14-11-13-9-5-2-6-10-15(13)23-20(14)28-17(16)18(27)24-21-26-25-19(29-21)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,22H2,(H,24,26,27)","","2020-01-09","2020-07-10","3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide","2020-07-15"],["QWZ","1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one","C28 H36 N2 O4","COc1ccc(CCOc2cc(ccc2OC)C3=NN(C4CCCCCC4)C(=O)C3(C)C)cc1;CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C","InChI=1S/C28H36N2O4/c1-28(2)26(29-30(27(28)31)22-9-7-5-6-8-10-22)21-13-16-24(33-4)25(19-21)34-18-17-20-11-14-23(32-3)15-12-20/h11-16,19,22H,5-10,17-18H2,1-4H3","2-cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one","2020-08-17","2021-08-20","2-cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one","2021-08-25"],["7U9","2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide","C13 H15 N5 O2","N[CH]1CCN(C1)C(=O)c2[nH]c3cccc(C(N)=O)c3n2;c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCC(C3)N)C(=O)N","InChI=1S/C13H15N5O2/c14-7-4-5-18(6-7)13(20)12-16-9-3-1-2-8(11(15)19)10(9)17-12/h1-3,7H,4-6,14H2,(H2,15,19)(H,16,17)/t7-/m1/s1","","2016-12-12","2017-01-20","2-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-1~{H}-benzimidazole-4-carboxamide","2017-01-25"],["7UA","6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C27 H29 N O5","c4c(CN(C1CC1)C(c3ccc(c2cocc2)cc3)=O)c(ccc4)OCCCCCC(O)=O;OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cocc4;c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O","InChI=1S/C27H29NO5/c29-26(30)8-2-1-5-16-33-25-7-4-3-6-22(25)18-28(24-13-14-24)27(31)21-11-9-20(10-12-21)23-15-17-32-19-23/h3-4,6-7,9-12,15,17,19,24H,1-2,5,8,13-14,16,18H2,(H,29,30)","","2016-12-06","2017-03-17","6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["QX","QUINOXALINE-2-CARBOXYLIC ACID","C9 H6 N2 O2","O=C(O)c1nc2ccccc2nc1;OC(=O)c1cnc2ccccc2n1;c1ccc2c(c1)ncc(n2)C(=O)O","InChI=1/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/f/h12H","","1999-07-08","2008-10-14","quinoxaline-2-carboxylic acid",""],["QX0","2-(3-cyanoanilino)benzoic acid","C14 H10 N2 O2","O=C(O)c1ccccc1Nc1cccc(C#N)c1;OC(=O)c1ccccc1Nc2cccc(c2)C#N;c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C#N","InChI=1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18)","","2023-05-08","2023-06-09","2-(3-cyanoanilino)benzoic acid","2023-06-14"],["7UB","(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one","C25 H29 N7 O2","COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CN(Cc3ccn[NH]3)CC2)C1=O;COc1ccc(cc1)N2Cc3cnc(NCC4CC4)nc3[C]5(CCN(Cc6[nH]ncc6)C5)C2=O;COc1ccc(cc1)N2Cc3cnc(nc3C4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6","InChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29)/t25-/m1/s1","","2021-08-20","2022-03-18","(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one","2022-03-23"],["7UC","(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid","C6 H11 N O4","C[CH](CC(O)=O)NCC(O)=O;CC(CC(=O)O)NCC(=O)O","InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1","","2016-12-14","2017-05-26","(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid","2017-05-31"],["QX1","3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine","C26 H30 N6 O2","c24c(c1ccc(c(c1)OC)OC)cnn2c(c(c3ccccc3)c(n4)NC5CCN(C)CC5)N;COc1ccc(cc1OC)c2cnn3c(N)c(c(NC4CCN(C)CC4)nc23)c5ccccc5;CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5","InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)","","2020-01-10","2020-02-21","3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine","2020-02-26"],["QX2","5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine","C6 H2 Br3 N3","Brc1nc2nc[nH]c2c(Br)c1Br;c1[nH]c2c(c(c(nc2n1)Br)Br)Br","InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12)","","2020-08-18","2020-12-04","5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine","2020-12-09"],["7UD","6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C31 H31 N O5","c4c(CN(Cc1ccccc1)C(c3ccc(c2cocc2)cc3)=O)c(ccc4)OCCCCCC(=O)O;OC(=O)CCCCCOc1ccccc1CN(Cc2ccccc2)C(=O)c3ccc(cc3)c4cocc4;c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4","InChI=1S/C31H31NO5/c33-30(34)13-5-2-8-19-37-29-12-7-6-11-27(29)22-32(21-24-9-3-1-4-10-24)31(35)26-16-14-25(15-17-26)28-18-20-36-23-28/h1,3-4,6-7,9-12,14-18,20,23H,2,5,8,13,19,21-22H2,(H,33,34)","","2016-12-06","2017-03-17","6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["7UE","5-pyrrol-1-ylpyridine-3-carboxylic acid","C10 H8 N2 O2","OC(=O)c1cncc(c1)n2cccc2;c1ccn(c1)c2cc(cnc2)C(=O)O","InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)","","2021-09-01","2022-09-02","5-pyrrol-1-ylpyridine-3-carboxylic acid","2022-09-07"],["QX3","(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C18 H17 Cl2 N3 O","Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cnccc1C1CC1;Clc1cc2NCC[CH](C(=O)Nc3cnccc3C4CC4)c2cc1Cl;c1cncc(c1C2CC2)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl","InChI=1S/C18H17Cl2N3O/c19-14-7-13-12(4-6-22-16(13)8-15(14)20)18(24)23-17-9-21-5-3-11(17)10-1-2-10/h3,5,7-10,12,22H,1-2,4,6H2,(H,23,24)/t12-/m1/s1","","2023-08-21","2023-11-03","(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["QX4","4-hydroxy-6-methyl-2H-1-benzopyran-2-one","C10 H8 O3","C=2C(=O)Oc1ccc(C)cc1C=2O;Cc1ccc2OC(=O)C=C(O)c2c1;Cc1ccc2c(c1)C(=CC(=O)O2)O","InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3","","2020-01-10","2020-05-01","4-hydroxy-6-methyl-2H-1-benzopyran-2-one","2020-05-06"],["7UG","6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C31 H31 N O4 S","c4c(CN(Cc1ccccc1)C(c3ccc(c2cscc2)cc3)=O)c(ccc4)OCCCCCC(=O)O;OC(=O)CCCCCOc1ccccc1CN(Cc2ccccc2)C(=O)c3ccc(cc3)c4cscc4;c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4","InChI=1S/C31H31NO4S/c33-30(34)13-5-2-8-19-36-29-12-7-6-11-27(29)22-32(21-24-9-3-1-4-10-24)31(35)26-16-14-25(15-17-26)28-18-20-37-23-28/h1,3-4,6-7,9-12,14-18,20,23H,2,5,8,13,19,21-22H2,(H,33,34)","","2016-12-06","2017-03-17","6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["7UH","Doxofylline","C11 H14 N4 O4","CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O;CN1c2c(n(cn2)CC3OCCO3)C(=O)N(C1=O)C","InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3","7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione","2021-10-27","2023-09-20","7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione","2023-02-01"],["QX5","(1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H22 N4 O5","O=C(NC1CC1)Nc1ccc(c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;Nc1cc(NC(=O)NC2CC2)ccc1C(=O)N[CH]3[CH](Cc4c(O)cccc34)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3N)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H22N4O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9,22H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QX7","N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine","C13 H15 F N2 O6 S","c1c(c(ccc1S(=O)(=O)F)C)C(NCC(C(=O)O)NC(=O)C)=O;CC(=O)N[CH](CNC(=O)c1cc(ccc1C)[S](F)(=O)=O)C(O)=O;Cc1ccc(cc1C(=O)NCC(C(=O)O)NC(=O)C)S(=O)(=O)F","InChI=1S/C13H15FN2O6S/c1-7-3-4-9(23(14,21)22)5-10(7)12(18)15-6-11(13(19)20)16-8(2)17/h3-5,11H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m0/s1","","2020-01-10","2024-09-27","N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine","2020-12-30"],["7UI","8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol","C22 H16 Br F3 N4 O2","FC(F)(F)CNC=1N=CC2=CN(C(=O)C(=C2N=1)c1ccc(Br)cc1)c1ccc(OC)cc1;COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(Br)cc4)NCC(F)(F)F;COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F","InChI=1S/C22H16BrF3N4O2/c1-32-17-8-6-16(7-9-17)30-11-14-10-27-21(28-12-22(24,25)26)29-19(14)18(20(30)31)13-2-4-15(23)5-3-13/h2-11H,12H2,1H3,(H,28,29)","","2021-08-20","2022-03-18","8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7(6H)-one","2022-03-23"],["7UJ","6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid","C29 H33 N O4","c1c(c(ccc1)OCCCCCC(O)=O)CN(C(C)C)C(c2ccc(cc2)c3ccccc3)=O;CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c2ccc(cc2)c3ccccc3;CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3","InChI=1S/C29H33NO4/c1-22(2)30(29(33)25-18-16-24(17-19-25)23-11-5-3-6-12-23)21-26-13-8-9-14-27(26)34-20-10-4-7-15-28(31)32/h3,5-6,8-9,11-14,16-19,22H,4,7,10,15,20-21H2,1-2H3,(H,31,32)","","2016-12-06","2017-03-17","6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid","2017-03-22"],["QX8","1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one","C21 H24 Br N3 O","Brc1ccc(CN2CCN(CC2)Cc3cccc(c3)N4CCC4=O)cc1;c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br","InChI=1S/C21H24BrN3O/c22-19-6-4-17(5-7-19)15-23-10-12-24(13-11-23)16-18-2-1-3-20(14-18)25-9-8-21(25)26/h1-7,14H,8-13,15-16H2","","2020-08-18","2021-07-02","1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one","2021-07-07"],["QX9","2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide","C18 H15 Cl N2 O","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(C)cc21;Cc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;Cc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C18H15ClN2O/c1-12-5-6-14-10-20-11-17(16(14)7-12)21-18(22)9-13-3-2-4-15(19)8-13/h2-8,10-11H,9H2,1H3,(H,21,22)","","2023-08-21","2023-11-03","2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide","2023-11-08"],["7UK","(R)-4-hydroxy-2-pyrrolidone","C4 H7 N O2","O[CH]1CNC(=O)C1;C1C(CNC1=O)O","InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1","(4R)-4-oxidanylpyrrolidin-2-one; (R)-4-hydroxypyrrolidin-2-one","2021-09-01","2021-11-19","(4~{R})-4-oxidanylpyrrolidin-2-one","2021-11-24"],["7UL","1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione","C22 H20 F4 N4 O3","Fc1ccc(CN2C(=O)NC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)CC(F)(F)F;c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F","InChI=1S/C22H20F4N4O3/c23-17-6-5-14(12-30-18-4-2-1-3-15(18)19(31)27-21(30)33)11-16(17)20(32)29-9-7-28(8-10-29)13-22(24,25)26/h1-6,11H,7-10,12-13H2,(H,27,31,33)","","2016-12-16","2017-01-20","1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione","2017-01-25"],["QXB","sulfolane","C4 H8 O2 S","O=[S]1(=O)CCCC1;C1CCS(=O)(=O)C1","InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2","thiolane 1,1-dioxide","2020-08-19","2021-06-11","thiolane 1,1-dioxide","2021-06-16"],["QXC","N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C12 H11 N5","n1cnc(NCc2ccccn2)c2cc[NH]c12;C(Nc1ncnc2[nH]ccc12)c3ccccn3;c1ccnc(c1)CNc2c3cc[nH]c3ncn2","InChI=1S/C12H11N5/c1-2-5-13-9(3-1)7-15-12-10-4-6-14-11(10)16-8-17-12/h1-6,8H,7H2,(H2,14,15,16,17)","","2022-06-14","2022-07-01","N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2022-07-06"],["7UM","3-methyl-7-propyl-purine-2,6-dione","C9 H12 N4 O2","CCCn1cnc2N(C)C(=O)NC(=O)c12;CCCn1cnc2c1C(=O)NC(=O)N2C","InChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)","","2021-10-27","2023-01-27","3-methyl-7-propyl-purine-2,6-dione","2023-02-01"],["7UN","(8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one","C23 H16 Cl F3 N6 O","FC(F)(F)CNC=1N=CC2=CN(c3cc4cn(C)nc4cc3)C(=O)C(c3ccc(Cl)cc3)=C2N=1;Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(Cl)cc5)NCC(F)(F)F;Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F","InChI=1S/C23H16ClF3N6O/c1-32-10-14-8-17(6-7-18(14)31-32)33-11-15-9-28-22(29-12-23(25,26)27)30-20(15)19(21(33)34)13-2-4-16(24)5-3-13/h2-11H,12H2,1H3,(H,29,30)","","2021-08-20","2022-03-18","8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7(6H)-one","2022-03-23"],["QXD","5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine","C29 H43 N8 O13 P S2","C(C(=O)NCCC(NCCSC(CS(NCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)O)(=O)=O)c4cccc(c4)O)=O)(C(C)(C)COP(O)(O)=O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(O)c4;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O","InChI=1S/C29H43N8O13PS2/c1-29(2,13-49-51(44,45)46)24(42)27(43)32-7-6-20(39)31-8-9-52-19(16-4-3-5-17(38)10-16)12-53(47,48)36-11-18-22(40)23(41)28(50-18)37-15-35-21-25(30)33-14-34-26(21)37/h3-5,10,14-15,18-19,22-24,28,36,38,40-42H,6-9,11-13H2,1-2H3,(H,31,39)(H,32,43)(H2,30,33,34)(H2,44,45,46)/t18-,19+,22-,23-,24+,28-/m1/s1","","2020-01-13","2024-09-27","5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine","2020-06-24"],["7UO","~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide","C21 H25 N6 O3","CCN1Cc2cc(CNC(=O)c3cnc4CC(=O)N[n+]4c3C)ccc2NCCC1=O;CCN1Cc2cc(ccc2NCCC1=O)CNC(=O)c3cnc4[n+](c3C)NC(=O)C4","InChI=1S/C21H24N6O3/c1-3-26-12-15-8-14(4-5-17(15)22-7-6-20(26)29)10-24-21(30)16-11-23-18-9-19(28)25-27(18)13(16)2/h4-5,8,11,22H,3,6-7,9-10,12H2,1-2H3,(H-,24,25,28,30)/p+1","","2021-09-03","2022-09-09","~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide","2022-09-14"],["QXE","3-hydroxythietane-1,1-dioxide","C4 H8 O3 S","O[CH]1CC[S](=O)(=O)C1;C1CS(=O)(=O)CC1O","InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m1/s1","(3~{R})-1,1-bis(oxidanylidene)thiolan-3-ol","2020-08-19","2021-06-11","(3~{R})-1,1-bis(oxidanylidene)thiolan-3-ol","2021-06-16"],["7UP","6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide","C22 H19 N3","[N@H]=C(N)c4ccc3cc(C#Cc1ccc2c(c1)CCNC2)ccc3c4;NC(=N)c1ccc2cc(ccc2c1)C#Cc3ccc4CNCCc4c3;c1cc2cc(ccc2cc1C#Cc3ccc4c(c3)CCNC4)C(=N)N","InChI=1S/C22H19N3/c23-22(24)20-8-7-17-11-15(3-5-18(17)13-20)1-2-16-4-6-21-14-25-10-9-19(21)12-16/h3-8,11-13,25H,9-10,14H2,(H3,23,24)","","2012-07-01","2012-08-17","6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide",""],["QXF","~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide","C14 H15 Cl N4 O3 S","C[S](=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(Cl)c2;CS(=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(c2)Cl","InChI=1S/C14H15ClN4O3S/c1-23(21,22)19(13-4-2-3-11(15)7-13)9-12-6-5-10(8-17-12)14(20)18-16/h2-8H,9,16H2,1H3,(H,18,20)","","2022-11-16","2023-09-01","~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide","2023-09-06"],["QXG","5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine","C17 H20 N8 O7 S","n3(C1OC(C(O)C1O)CNS(NC(c2cccc(c2N)O)=O)(=O)=O)cnc4c(N)ncnc34;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)c4cccc(O)c4N)[CH](O)[CH]3O;c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H20N8O7S/c18-10-7(2-1-3-8(10)26)16(29)24-33(30,31)23-4-9-12(27)13(28)17(32-9)25-6-22-11-14(19)20-5-21-15(11)25/h1-3,5-6,9,12-13,17,23,26-28H,4,18H2,(H,24,29)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1","","2020-01-13","2020-06-19","5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine","2020-06-24"],["7UQ","3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal","C15 H12 F3 N O2","Fc1cc(F)c(OCc2cccnc2F)c(CCC=O)c1;c1cc(c(nc1)F)COc2c(cc(cc2F)F)CCC=O","InChI=1S/C15H12F3NO2/c16-12-7-10(4-2-6-20)14(13(17)8-12)21-9-11-3-1-5-19-15(11)18/h1,3,5-8H,2,4,9H2","","2021-10-27","2022-05-27","3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal","2022-06-01"],["QXH","~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide","C37 H47 Br2 N5 O2","CCC(CC)(C=O)C(=O)Nc1cc(CN2CCN(CC2)Cc3ccc(Br)cc3)cc(CN4CCN(CC4)Cc5ccc(Br)cc5)c1;CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br","InChI=1S/C37H47Br2N5O2/c1-3-37(4-2,28-45)36(46)40-35-22-31(26-43-17-13-41(14-18-43)24-29-5-9-33(38)10-6-29)21-32(23-35)27-44-19-15-42(16-20-44)25-30-7-11-34(39)12-8-30/h5-12,21-23,28H,3-4,13-20,24-27H2,1-2H3,(H,40,46)","","2020-08-19","2024-09-27","~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide","2021-06-30"],["7UR","4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid","C24 H21 F N2 O3","C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23;CC(c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N","InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1","","2016-12-27","2018-11-30","4-[4-cyano-2-[[(2~{R})-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid","2018-12-05"],["QXI","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C27 H25 Cl N6 O3","CC1c2nncn2CCN1C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;C[CH]1N(CCn2cnnc12)C(=O)C[C]3(CCOc4ccc(Cl)cc34)C(=O)Nc5cncc6ccccc56;CC1c2nncn2CCN1C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6","InChI=1S/C27H25ClN6O3/c1-17-25-32-30-16-33(25)9-10-34(17)24(35)13-27(8-11-37-23-7-6-19(28)12-21(23)27)26(36)31-22-15-29-14-18-4-2-3-5-20(18)22/h2-7,12,14-17H,8-11,13H2,1H3,(H,31,36)/t17-,27-/m0/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7US","(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate","C48 H67 N7 O13","[O-][N+](=O)c1cnc(C)n1CCN1CCC2(CC1)NC=1C(=N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2C(=O)C=1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)CCO4;CO[CH]1CCO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CCn7c(C)ncc7[N+]([O-])=O)CC6)N=C5c4c3C2=O)NC(=O)[CH](C)CCC[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C;Cc1c(c2c3c4c1OC(C4=O)(OCCC(C(C(C(C(C(C(C(CCCC(C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C48H67N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h22-27,31,39-40,43,52,57-59H,11-21H2,1-10H3,(H,50,62)/t23-,24+,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1","","2021-08-20","2022-02-25","(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate","2022-03-02"],["7UT","12-methoxylauric acid","C13 H26 O3","COCCCCCCCCCCCC(O)=O;COCCCCCCCCCCCC(=O)O","InChI=1S/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)","12-methoxydodecanoic acid","2021-09-06","2023-01-20","12-methoxydodecanoic acid","2023-01-25"],["QXK","2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide","C29 H35 N3 O2","CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1;CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4","InChI=1S/C29H35N3O2/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)","","2020-08-19","2024-09-27","2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide","2021-06-30"],["QXL","(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione","C11 H14 N4 O2 S","O=S1(=O)CCCC(Nc2ncnc3[NH]ccc32)C1;O=[S]1(=O)CCC[CH](C1)Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC3CCCS(=O)(=O)C3","InChI=1S/C11H14N4O2S/c16-18(17)5-1-2-8(6-18)15-11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8H,1-2,5-6H2,(H2,12,13,14,15)/t8-/m1/s1","","2022-06-14","2022-07-01","(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione","2022-07-06"],["7UU","~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide","C18 H18 N2 O3 S","CN(CCCNC1=CC(=O)Oc2ccccc12)C(=O)c3sccc3;CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3","InChI=1S/C18H18N2O3S/c1-20(18(22)16-8-4-11-24-16)10-5-9-19-14-12-17(21)23-15-7-3-2-6-13(14)15/h2-4,6-8,11-12,19H,5,9-10H2,1H3","","2016-12-28","2017-04-07","~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide","2017-04-12"],["7UV","(3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid","C14 H13 B2 Cl O3","c1(BO)ccc(c(c1)Cl)[C@H]=[C@H]c2cc(ccc2)B(O)O;OBc1ccc(C=Cc2cccc(c2)B(O)O)c(Cl)c1;B(c1ccc(c(c1)Cl)C=Cc2cccc(c2)B(O)O)O","InChI=1S/C14H13B2ClO3/c17-14-9-12(15-18)7-6-11(14)5-4-10-2-1-3-13(8-10)16(19)20/h1-9,15,18-20H/b5-4+","","2016-12-06","2024-09-27","(3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid","2017-09-27"],["QXM","(5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron","C7 H4 Fe N O5","C12(/C(C(C(=O)[O-])=CC=C1)=N)O[Fe+2]OO2;[O-]C(=O)C1=CC=C[C]2(OO[Fe++]O2)C1=N;C1=CC2(C(=N)C(=C1)C(=O)[O-])OO[Fe+2]O2","InChI=1S/C7H6NO5.Fe/c8-5-4(6(9)10)2-1-3-7(5,11)13-12;/h1-3,8,12H,(H,9,10);/q-1;+4/p-2/b8-5+;/t7-;/m0./s1","","2020-01-13","2020-07-24","(5~{R})-6-azanylidene-1,2,4-trioxa-3$l^{2}-ferraspiro[4.5]deca-7,9-diene-7-carboxylic acid","2020-07-29"],["QXN","2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide","C19 H29 N3 O2","CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1;CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C","InChI=1S/C19H29N3O2/c1-4-19(5-2,15-23)18(24)20-17-8-6-7-16(13-17)14-22-11-9-21(3)10-12-22/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,20,24)","","2020-08-19","2024-09-27","2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide","2021-06-30"],["7UW","3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal","C15 H12 F3 N O2","Fc1cc(F)c(OCc2ccnc(F)c2)c(CCC=O)c1;c1cnc(cc1COc2c(cc(cc2F)F)CCC=O)F","InChI=1S/C15H12F3NO2/c16-12-7-11(2-1-5-20)15(13(17)8-12)21-9-10-3-4-19-14(18)6-10/h3-8H,1-2,9H2","","2021-10-27","2022-05-27","3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal","2022-06-01"],["7UX","1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide","C16 H19 N3 O S","CN1CCC(CC1)C(=O)Nc2sc(cn2)c3ccccc3;CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3","InChI=1S/C16H19N3OS/c1-19-9-7-13(8-10-19)15(20)18-16-17-11-14(21-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,20)","","2017-01-06","2017-12-29","1-methyl-~{N}-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide","2018-01-03"],["QXO","2-(6-fluoranylindol-1-yl)ethanoic acid","C10 H8 F N O2","OC(=O)Cn1ccc2ccc(F)cc12;c1cc(cc2c1ccn2CC(=O)O)F","InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)","2-(6-fluoro-1H-indol-1-yl)acetic acid","2022-11-16","2023-11-10","2-(6-fluoranylindol-1-yl)ethanoic acid","2023-11-15"],["QXP","5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine","C17 H20 N8 O6 S","C4(C(CNS(NC(c1c(cccc1)N)=O)(=O)=O)OC(n3cnc2c(ncnc23)N)C4O)O;Nc1ccccc1C(=O)N[S](=O)(=O)NC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1ccc(c(c1)C(=O)NS(=O)(=O)NCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C17H20N8O6S/c18-9-4-2-1-3-8(9)16(28)24-32(29,30)23-5-10-12(26)13(27)17(31-10)25-7-22-11-14(19)20-6-21-15(11)25/h1-4,6-7,10,12-13,17,23,26-27H,5,18H2,(H,24,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1","","2020-01-13","2020-06-19","5'-{[(2-aminobenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine","2020-06-24"],["7UY","6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","C27 H31 N O4 S","c1cccc(c1CN(C(C)C)C(c2ccc(cc2)c3ccsc3)=O)OCCCCCC(O)=O;CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c2ccc(cc2)c3cscc3;CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3","InChI=1S/C27H31NO4S/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-33-19-24)18-23-8-5-6-9-25(23)32-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)","","2016-12-06","2017-03-17","6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["7UZ","2-(cyclohexylmethyl)propanedioic acid","C10 H16 O4","O=C(O)C(C(=O)O)CC1CCCCC1;OC(=O)C(CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)C(=O)O","InChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)","","2013-12-09","2014-02-21","(cyclohexylmethyl)propanedioic acid","2014-02-26"],["QXQ","~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide","C24 H28 N2 O4","CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCc3cc4OCOc4cc3C2)c1;CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4","InChI=1S/C24H28N2O4/c1-3-24(4-2,15-27)23(28)25-20-7-5-6-17(10-20)13-26-9-8-18-11-21-22(30-16-29-21)12-19(18)14-26/h5-7,10-12,15H,3-4,8-9,13-14,16H2,1-2H3,(H,25,28)","","2020-08-19","2024-09-27","~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide","2021-06-30"],["7V1","6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid","C27 H31 N O5","c3c(CN(C(C)C)C(c1ccc(cc1)c2ccco2)=O)c(OCCCCCC(=O)O)ccc3;CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c2ccc(cc2)c3occc3;CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3","InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-15-13-21(14-16-22)24-11-8-18-33-24)19-23-9-5-6-10-25(23)32-17-7-3-4-12-26(29)30/h5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,29,30)","","2016-12-06","2017-03-17","6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["QXR","N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide","C17 H19 Cl N2 O2","O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1;CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(Cl)c2;CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl","InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21)","","2023-08-21","2023-11-03","N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide","2023-11-08"],["7V2","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C27 H42 N4 O6","CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)C(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2","InChI=1S/C27H42N4O6/c1-17(2)22(31-26(36)37-16-18-9-7-6-8-10-18)25(35)30-21(14-27(3,4)5)24(34)29-20(15-32)13-19-11-12-28-23(19)33/h6-10,17,19-22,32H,11-16H2,1-5H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22-/m0/s1","","2021-08-22","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-20"],["QXS","(1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol","C12 H16 N4 O","OC1CCCCC1Nc1ncnc2[NH]ccc21;O[CH]1CCCC[CH]1Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC3CCCCC3O","InChI=1S/C12H16N4O/c17-10-4-2-1-3-9(10)16-12-8-5-6-13-11(8)14-7-15-12/h5-7,9-10,17H,1-4H2,(H2,13,14,15,16)/t9-,10+/m1/s1","","2022-06-14","2022-07-01","(1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol","2022-07-06"],["QXT","1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione","C24 H26 N2 O4","CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2;CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC","InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3","","2020-08-19","2021-06-25","1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione","2021-06-30"],["7V3","(S)-(4-chlorophenyl)-phenyl-methanamine","C13 H12 Cl N","N[CH](c1ccccc1)c2ccc(Cl)cc2;c1ccc(cc1)C(c2ccc(cc2)Cl)N","InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1","","2017-01-12","2018-01-12","(~{S})-(4-chlorophenyl)-phenyl-methanamine","2018-01-17"],["7V4","6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid","C27 H31 N O5","c3c(CN(C(C)C)C(c1ccc(cc1)c2ccoc2)=O)c(ccc3)OCCCCCC(O)=O;CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c2ccc(cc2)c3cocc3;CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3","InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-32-19-24)18-23-8-5-6-9-25(23)33-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)","","2016-12-06","2017-03-17","6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid","2017-03-22"],["QXU","1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone","C10 H10 O2","CC(=O)[CH]1O[CH]1c2ccccc2;CC(=O)C1C(O1)c2ccccc2","InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m1/s1","","2022-11-16","2024-09-27","1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone","2023-11-22"],["QXV","D-methioninamide","C5 H12 N2 O S","NC(C(N)=O)CCSC;CSCC[CH](N)C(N)=O;CSCCC(C(=O)N)N","InChI=1S/C5H12N2OS/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m1/s1","","2020-01-13","2024-09-27","D-methioninamide","2020-02-26"],["7V5","~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine","C20 H24 N4","C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14;C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4","InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)/p+2","","2021-09-07","2021-12-24","3-(10~{H}-indolo[3,2-b]quinolin-5-ium-11-ylamino)propyl-dimethyl-azanium","2021-12-29"],["7V6","5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid","C16 H17 B O4","Bc1ccc(cc1)[CH](O)CCc2ccc(O)c(c2)C(O)=O;Bc1ccc(cc1)C(CCc2ccc(c(c2)C(=O)O)O)O","InChI=1S/C16H17BO4/c17-12-5-3-11(4-6-12)14(18)7-1-10-2-8-15(19)13(9-10)16(20)21/h2-6,8-9,14,18-19H,1,7,17H2,(H,20,21)/t14-/m1/s1","","2017-01-18","2017-12-22","5-[(3~{R})-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid","2017-12-27"],["QXW"," 5,6-dibromo-1H-triazolo[4,5-b]pyridine","C5 H2 Br2 N4","Brc1cc2[nH]nnc2nc1Br;c1c2c(nc(c1Br)Br)nn[nH]2","InChI=1S/C5H2Br2N4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)","5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine","2020-08-19","2021-03-13","5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine","2020-12-09"],["QXX","2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide","C14 H10 Cl F3 N2 O","O=C(Nc1cnccc1C(F)(F)F)Cc1cccc(Cl)c1;FC(F)(F)c1ccncc1NC(=O)Cc2cccc(Cl)c2;c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(F)(F)F","InChI=1S/C14H10ClF3N2O/c15-10-3-1-2-9(6-10)7-13(21)20-12-8-19-5-4-11(12)14(16,17)18/h1-6,8H,7H2,(H,20,21)","","2023-08-21","2023-11-03","2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide","2023-11-08"],["7V7","N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide","C22 H28 N2 O","C2CC(N(c1ccccc1)C(CC)=O)CCN2CCc3ccccc3;CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3;CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3","","2016-12-06","2017-09-29","N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide","2017-10-04"],["7V8","4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide","C31 H32 N8 O5","NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4;c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5ccccc5n4)OCCN)OCCN)OCCN","InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41)","Pyridostatin","2022-03-01","2022-06-03","4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide","2022-06-08"],["QXY","{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone","C19 H26 N4 O","C1CN(CCN1C(c2ccc(cc2)Cn3c(cc(n3)C)C)=O)CC;CCN1CCN(CC1)C(=O)c2ccc(Cn3nc(C)cc3C)cc2;CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C","InChI=1S/C19H26N4O/c1-4-21-9-11-22(12-10-21)19(24)18-7-5-17(6-8-18)14-23-16(3)13-15(2)20-23/h5-8,13H,4,9-12,14H2,1-3H3","","2020-01-14","2020-02-07","{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone","2020-02-12"],["7V9","~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate","C17 H26 N3 O8 P S","CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1cccnc1;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O","InChI=1S/C17H26N3O8PS/c1-17(2,11-28-29(25,26)27)14(22)15(23)20-7-5-13(21)19-8-9-30-16(24)12-4-3-6-18-10-12/h3-4,6,10,14,22H,5,7-9,11H2,1-2H3,(H,19,21)(H,20,23)(H2,25,26,27)/t14-/m1/s1","","2017-01-19","2024-09-27","~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate","2018-02-07"],["QXZ","7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine","C23 H22 N6 O3","COc1cc(Nc2ncc3n(n2)c(nc3C)c4[nH]c5ccccc5c4)cc(OC)c1OC;Cc1c2cnc(nn2c(n1)c3cc4ccccc4[nH]3)Nc5cc(c(c(c5)OC)OC)OC","InChI=1S/C23H22N6O3/c1-13-18-12-24-23(26-15-10-19(30-2)21(32-4)20(11-15)31-3)28-29(18)22(25-13)17-9-14-7-5-6-8-16(14)27-17/h5-12,27H,1-4H3,(H,26,28)","","2020-08-20","2023-05-26","7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine","2023-05-31"],["7VA","(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione","C20 H19 N3 O4 S","c2c(CC1C(NC(S1)=O)=O)ccc(c2)OCc4nc3c(cc(cc3)OC)n4C;COc1ccc2nc(COc3ccc(C[CH]4SC(=O)NC4=O)cc3)n(C)c2c1;Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC","InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)","","2016-12-07","2017-08-18","(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione","2017-08-23"],["QY0","(1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol","C12 H16 N4 O","OC1CCCCC1Nc1ncnc2[NH]ccc21;O[CH]1CCCC[CH]1Nc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NC3CCCCC3O","InChI=1S/C12H16N4O/c17-10-4-2-1-3-9(10)16-12-8-5-6-13-11(8)14-7-15-12/h5-7,9-10,17H,1-4H2,(H2,13,14,15,16)/t9-,10+/m0/s1","","2022-06-14","2022-07-01","(1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol","2022-07-06"],["QY1","(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid","C23 H23 N O3","c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4;OC(=O)[CH](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2;c1ccc2c(c1)ccc(n2)COc3ccc(cc3)C(C4CCCC4)C(=O)O","InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1","","2020-01-14","2020-11-27","(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid","2020-12-02"],["7VB","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide","C26 H38 N4 O6","CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(=C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)=C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)C(C(=O)NC(CC(=C)C)C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2","InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,17,19-22,31H,1,10-15H2,2-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide","2022-07-20"],["QY2","2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one","C14 H13 N3 O2 S","CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2;CON=C1NC(=O)C(=S1)Cc2ccc3c(c2)cccn3","InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18)","","2020-08-20","2022-06-03","2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one","2022-06-08"],["7VC","4-(7-methoxyquinolin-4-yl)-2-methyl-phenol","C17 H15 N O2","COc1ccc2c(c1)nccc2c3ccc(O)c(C)c3;Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC","InChI=1S/C17H15NO2/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16/h3-10,19H,1-2H3","","2017-01-19","2018-06-29","4-(7-methoxyquinolin-4-yl)-2-methyl-phenol","2018-07-04"],["QY3","2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide","C21 H23 F N4 O4 S3","Nc1ccc(cc1[S](N)(=O)=O)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F;c1ccc(c(c1)c2ccc(s2)CN3CCN(CC3)S(=O)(=O)c4ccc(c(c4)S(=O)(=O)N)N)F","InChI=1S/C21H23FN4O4S3/c22-18-4-2-1-3-17(18)20-8-5-15(31-20)14-25-9-11-26(12-10-25)33(29,30)16-6-7-19(23)21(13-16)32(24,27)28/h1-8,13H,9-12,14,23H2,(H2,24,27,28)","","2022-11-16","2023-11-17","2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide","2023-11-22"],["7VD","(2-oxopropyl)phosphonic acid","C3 H7 O4 P","P(O)(CC(C)=O)(O)=O;CC(=O)C[P](O)(O)=O;CC(=O)CP(=O)(O)O","InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)","","2016-12-07","2016-12-30","(2-oxopropyl)phosphonic acid","2017-01-04"],["7VE","4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide","C31 H30 N5 O7 S","COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn6cc(COc7ccc(cc7)[S](N)(=O)=O)nn6;COc1ccc2cc-3[n+](cc2c1OCCCn4cc(nn4)COc5ccc(cc5)S(=O)(=O)N)CCc6c3cc7c(c6)OCO7","InChI=1S/C31H30N5O7S/c1-39-28-8-3-20-13-27-25-15-30-29(42-19-43-30)14-21(25)9-11-35(27)17-26(20)31(28)40-12-2-10-36-16-22(33-34-36)18-41-23-4-6-24(7-5-23)44(32,37)38/h3-8,13-17H,2,9-12,18-19H2,1H3,(H2,32,37,38)/q+1","","2021-09-07","2022-09-16","","2022-09-21"],["QY4","N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide","C28 H39 N3 O2 S","C21(CCC(C1CC(CCCCCC)=C2c3ccccc3)NS(N)(=O)=O)CN(C)c4ccccc4;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](N[S](N)(=O)=O)[CH]3C1)CN(C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4","InChI=1S/C28H39N3O2S/c1-3-4-5-8-15-23-20-25-26(30-34(29,32)33)18-19-28(25,27(23)22-13-9-6-10-14-22)21-31(2)24-16-11-7-12-17-24/h6-7,9-14,16-17,25-26,30H,3-5,8,15,18-21H2,1-2H3,(H2,29,32,33)/t25-,26-,28-/m0/s1","","2020-01-14","2020-06-05","N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide","2020-06-10"],["QY5","~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide","C24 H24 Br2 N8 O2","CCC(=O)N(CCC(=O)Nc1ccnc(n2ccnc2C)c1Br)c3ccnc(n4ccnc4C)c3Br;CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C","InChI=1S/C24H24Br2N8O2/c1-4-20(36)34(18-6-9-30-24(22(18)26)33-14-11-28-16(33)3)12-7-19(35)31-17-5-8-29-23(21(17)25)32-13-10-27-15(32)2/h5-6,8-11,13-14H,4,7,12H2,1-3H3,(H,29,31,35)","","2020-08-20","2024-09-27","~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide","2021-10-13"],["7VF","4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol","C16 H13 N O2","Cc1cc(ccc1O)c2ccnc3cc(O)ccc23;Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O","InChI=1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3","","2017-01-19","2017-12-08","4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol","2017-12-13"],["7VG","{3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid","C14 H12 B Cl O4","c1(B(O)O)cc(c(cc1)[C@H]=[C@H]c2cc(cc(c2)O)O)Cl;OB(O)c1ccc(C=Cc2cc(O)cc(O)c2)c(Cl)c1;B(c1ccc(c(c1)Cl)C=Cc2cc(cc(c2)O)O)(O)O","InChI=1S/C14H12BClO4/c16-14-7-11(15(19)20)4-3-10(14)2-1-9-5-12(17)8-13(18)6-9/h1-8,17-20H/b2-1+","","2016-12-07","2017-09-22","{3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid","2017-09-27"],["QY6","(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one","C22 H20 Cl N3 O","O=C1N(CCCC11CCNc2ccc(Cl)cc21)c1cncc2ccccc21;Clc1ccc2NCC[C]3(CCCN(C3=O)c4cncc5ccccc45)c2c1;c1ccc2c(c1)cncc2N3CCCC4(C3=O)CCNc5c4cc(cc5)Cl","InChI=1S/C22H20ClN3O/c23-16-6-7-19-18(12-16)22(9-10-25-19)8-3-11-26(21(22)27)20-14-24-13-15-4-1-2-5-17(15)20/h1-2,4-7,12-14,25H,3,8-11H2/t22-/m1/s1","","2023-08-21","2023-11-03","(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one","2023-11-08"],["7VH","5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine","C31 H37 Cl2 N7 O3 S","CC[S](=O)(=O)n1cc(c2ccccc12)c3nc(Nc4cc(Cl)c(cc4OC)N5CCC(CC5)N6CCN(C)CC6)ncc3Cl;CCS(=O)(=O)n1cc(c2c1cccc2)c3c(cnc(n3)Nc4cc(c(cc4OC)N5CCC(CC5)N6CCN(CC6)C)Cl)Cl","InChI=1S/C31H37Cl2N7O3S/c1-4-44(41,42)40-20-23(22-7-5-6-8-27(22)40)30-25(33)19-34-31(36-30)35-26-17-24(32)28(18-29(26)43-3)39-11-9-21(10-12-39)38-15-13-37(2)14-16-38/h5-8,17-21H,4,9-16H2,1-3H3,(H,34,35,36)","","2021-10-27","2022-06-03","5-chloranyl-~{N}-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine","2022-06-08"],["QY7","3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid","C27 H34 Cl N O2 S","c1c2c(ccc1C(C)C)n(c(c2SC(C)(C)C)CC(C(O)=O)(C)C)Cc3ccc(cc3)Cl;CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1;CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C","InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)","","2020-01-14","2020-11-27","3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid","2020-12-02"],["7VI","N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C26 H38 N4 O6","CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)C(C(=O)NC(CC1CC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3","InChI=1S/C26H38N4O6/c1-16(2)22(30-26(35)36-15-18-6-4-3-5-7-18)25(34)29-21(12-17-8-9-17)24(33)28-20(14-31)13-19-10-11-27-23(19)32/h3-7,16-17,19-22,31H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2022-07-20"],["QY8","2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one","C6 H6 N4 O","NC1=Nc2[nH]ccc2C(=O)N1;c1c[nH]c2c1C(=O)NC(=N2)N","InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)","2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","2020-08-20","2021-06-25","2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","2021-06-30"],["7VJ","2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one","C5 H7 N5 O2","N(=O)C1=C(N=C(N)NC1=O)NC;CNC1=C(N=O)C(=O)NC(=N1)N;CNC1=C(C(=O)NC(=N1)N)N=O","InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)","6-METHYLAMINO-5-NITROSOISOCYTOSINE","2016-12-08","2021-03-01","2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one","2017-12-06"],["QY9","phenyl acetate","C8 H8 O2","O=C(Oc1ccccc1)C;CC(=O)Oc1ccccc1;CC(=O)Oc1ccccc1","InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3","","2013-07-31","2013-10-25","phenyl acetate","2013-10-30"],["7VK","2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid","C28 H20 N2 O7","OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2;c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4C(=O)O","InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)","","2021-09-09","2022-12-16","2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid","2022-12-21"],["QYA","2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide","C12 H12 N4 O5 S","C1=CC(NC(N1CC(Nc2ccc(cc2)S(N)(=O)=O)=O)=O)=O;N[S](=O)(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1;c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N","InChI=1S/C12H12N4O5S/c13-22(20,21)9-3-1-8(2-4-9)14-11(18)7-16-6-5-10(17)15-12(16)19/h1-6H,7H2,(H,14,18)(H2,13,20,21)(H,15,17,19)","","2020-01-15","2020-03-06","2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide","2020-03-11"],["7VL","4-(7-chloranylquinolin-4-yl)-2-methyl-phenol","C16 H12 Cl N O","Cc1cc(ccc1O)c2ccnc3cc(Cl)ccc23;Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl","InChI=1S/C16H12ClNO/c1-10-8-11(2-5-16(10)19)13-6-7-18-15-9-12(17)3-4-14(13)15/h2-9,19H,1H3","","2017-01-19","2018-06-29","4-(7-chloranylquinolin-4-yl)-2-methyl-phenol","2018-07-04"],["QYB","3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one","C11 H8 N4 O","O=C1NC=Nc2n[nH]c(c3ccccc3)c12;c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O","InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)","3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one","2020-08-20","2021-06-25","3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one","2021-06-30"],["7VM","N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide","C28 H34 N4 O2","C1CN(CCC1c2nccc(c2)CN(C)C(c4cc(Oc3ccccc3)ccc4)=O)CCNC;CNCCN1CCC(CC1)c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2;CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4","InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3","","2016-12-08","2016-12-16","N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide","2016-12-21"],["QYC","(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O5","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18-/m0/s1","","2022-06-14","2022-07-01","(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["QYD","N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE","C17 H17 N3 O3 S","[O-][N+](=O)c1ccc(NC(=O)N2CCS[CH](C2)c3ccccc3)cc1;c1ccc(cc1)C2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]","InChI=1S/C17H17N3O3S/c21-17(18-14-6-8-15(9-7-14)20(22)23)19-10-11-24-16(12-19)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,21)/t16-/m1/s1","","2015-03-08","2015-05-08","(2S)-N-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide","2015-05-13"],["7VN","(2S)-2-cyclopentyl-2-(methylamino)ethanoic acid","C8 H15 N O2","CN[CH](C1CCCC1)C(O)=O;CNC(C1CCCC1)C(=O)O","InChI=1S/C8H15NO2/c1-9-7(8(10)11)6-4-2-3-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t7-/m0/s1","","2021-10-29","2024-09-27","(2~{S})-2-cyclopentyl-2-(methylamino)ethanoic acid","2023-07-26"],["QYE","7-chlorothieno[3,2-c]pyridin-4-amine","C7 H5 Cl N2 S","Nc1ncc(Cl)c2sccc12;c1csc2c1c(ncc2Cl)N","InChI=1S/C7H5ClN2S/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H,(H2,9,10)","7-chloranylthieno[3,2-c]pyridin-4-amine","2020-08-20","2021-06-25","7-chloranylthieno[3,2-c]pyridin-4-amine","2021-06-30"],["7VO","(2S,3S)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid","C14 H23 N2 O7 P","CC[CH](C)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCC(C)C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C14H23N2O7P/c1-4-8(2)12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5,8,12,16-17H,4,6-7H2,1-3H3,(H,18,19)(H2,20,21,22)/t8-,12-/m0/s1","","2017-01-19","2017-04-14","(2~{S},3~{S})-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid","2017-04-19"],["7VP","4-methyl-2-phenyl-1H-imidazole","C10 H10 N2","Cc2cnc(c1ccccc1)n2;Cc1c[nH]c(n1)c2ccccc2;Cc1c[nH]c(n1)c2ccccc2","InChI=1S/C10H10N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)","","2016-12-08","2017-01-26","4-methyl-2-phenyl-1H-imidazole","2017-02-01"],["QYF","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","C49 H69 N9 O16","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCC(CC3)CNC(=O)CN4CCN(CCN(CCN(C=C4)CC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1","","2022-11-16","2023-11-24","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","2023-11-29"],["7VQ","N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C27 H36 N4 O7","O=C1NCCC1CC(CO)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1ccco1;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2occc2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)C(C(=O)NC(Cc1ccco1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3","InChI=1S/C27H36N4O7/c1-17(2)23(31-27(36)38-16-18-7-4-3-5-8-18)26(35)30-22(14-21-9-6-12-37-21)25(34)29-20(15-32)13-19-10-11-28-24(19)33/h3-9,12,17,19-20,22-23,32H,10-11,13-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,22-,23-/m0/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2022-07-20"],["QYG","{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C16 H18 N4 O5","C(=O)(O)CN1C(C(CCC(N)=O)N)=NC(C1=O)=Cc2ccc(O)cc2;N[CH](CCC(N)=O)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CCC(=O)N)N)CC(=O)O)O","InChI=1S/C16H18N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,11,21H,5-6,8,17H2,(H2,18,22)(H,23,24)/b12-7+/t11-/m0/s1","","2019-01-16","2024-09-27","{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-11-06"],["QYH","6-(4-methoxyphenyl)pyrimidine-2,4-diamine","C11 H12 N4 O","COc1ccc(cc1)c2cc(N)nc(N)n2;COc1ccc(cc1)c2cc(nc(n2)N)N","InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)","","2020-08-20","2021-06-25","6-(4-methoxyphenyl)pyrimidine-2,4-diamine","2021-06-30"],["7VR","4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime","C22 H28 N4 O3","O=C2N(c1ccncc1)CCN2CCCCCOc3ccc(C=NOCC)cc3;CCON=Cc1ccc(OCCCCCN2CCN(C2=O)c3ccncc3)cc1;CCON=Cc1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3","InChI=1S/C22H28N4O3/c1-2-29-24-18-19-6-8-21(9-7-19)28-17-5-3-4-14-25-15-16-26(22(25)27)20-10-12-23-13-11-20/h6-13,18H,2-5,14-17H2,1H3/b24-18+","","2013-11-05","2014-09-05","1-(5-{4-[(E)-(ethoxyimino)methyl]phenoxy}pentyl)-3-(pyridin-4-yl)imidazolidin-2-one","2014-02-12"],["QYI","(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H16 Cl F N2 O3","Fc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC;CO[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccc(F)cc34;COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F","InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-3-13(21)8-16(18)20)19(25)24-17-11-23-10-12-2-4-14(22)9-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7VS","(4E)-4-hydrazinylidene-1,4-dihydroquinoline","C9 H9 N3","NN=C1c2c(NC=C1)cccc2;NN=C1C=CNc2ccccc12;c1ccc2c(c1)C(=NN)C=CN2","InChI=1S/C9H9N3/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-6H,10H2,(H,11,12)","","2016-12-08","2017-01-26","(4E)-4-hydrazinylidene-1,4-dihydroquinoline","2017-02-01"],["QYJ","(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H21 N3 O5","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m0/s1","","2022-06-14","2022-07-01","(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["7VT","5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide","C17 H19 N3 O4 S","COc1ncc(cc1[S](=O)(=O)Nc2ccnc(C)c2)C3=CCOCC3;Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3","InChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20)","5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide","2021-09-09","2021-09-24","5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide","2021-09-29"],["QYK","4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C8 H6 Br N5","Cn1c(Br)c(C#N)c2c(N)ncnc12;Cn1c2c(c(c1Br)C#N)c(ncn2)N","InChI=1S/C8H6BrN5/c1-14-6(9)4(2-10)5-7(11)12-3-13-8(5)14/h3H,1H3,(H2,11,12,13)","","2020-08-20","2021-06-25","4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-06-30"],["7VU","(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid","C12 H17 N O2","CCN[CH](Cc1ccc(C)cc1)C(O)=O;CCNC(Cc1ccc(cc1)C)C(=O)O","InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1","","2021-10-29","2024-09-27","(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid","2023-07-26"],["7VV","(6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine","C18 H24 F N3 O","c3c(cc(CC2CCc1c(C(C)C)nc(n1C2)N)c(c3)F)OC;COc1ccc(F)c(C[CH]2CCc3n(C2)c(N)nc3C(C)C)c1;CC(C)c1c2n(c(n1)N)CC(CC2)Cc3cc(ccc3F)OC","InChI=1S/C18H24FN3O/c1-11(2)17-16-7-4-12(10-22(16)18(20)21-17)8-13-9-14(23-3)5-6-15(13)19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H2,20,21)/t12-/m0/s1","","2016-12-08","2017-01-06","(6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine","2017-01-11"],["QYM","(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol","C28 H37 N O3","c1c3c(cc(c1)O)CCC4C2CCC(C2(CC(C34)c5ccc(cc5)OCCN(C)C)C)O;CN(C)CCOc1ccc(cc1)[CH]2C[C]3(C)[CH](O)CC[CH]3[CH]4CCc5cc(O)ccc5[CH]24;CC12CC(C3c4ccc(cc4CCC3C1CCC2O)O)c5ccc(cc5)OCCN(C)C","InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27-,28-/m0/s1","RU39411","2020-01-15","2020-06-17","(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol","2020-01-29"],["7VW","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C30 H48 N4 O7","CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C","InChI=1S/C30H48N4O7/c1-19(41-30(5,6)7)24(34-28(39)40-18-20-11-9-8-10-12-20)27(38)33-23(16-29(2,3)4)26(37)32-22(17-35)15-21-13-14-31-25(21)36/h8-12,19,21-24,35H,13-18H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t19-,21+,22+,23+,24+/m1/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-20"],["QYN","(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H18 Cl N5 O3 S","O=S(=O)(c1ncc[NH]1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)c5[nH]ccn5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)c5[nH]ccn5","InChI=1S/C22H18ClN5O3S/c23-16-6-5-15-12-28(32(30,31)22-25-7-8-26-22)13-19(18(15)9-16)21(29)27-20-11-24-10-14-3-1-2-4-17(14)20/h1-11,19H,12-13H2,(H,25,26)(H,27,29)/t19-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["7VX","(4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","C29 H44 O3","C[CH]1[CH]2CC[C]3(C)[CH](CC=C4[CH]5CC(C)(C)CC[C]5(CC[C]34C)C(O)=O)[C]2(C)CCC1=O;CC1C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C","InChI=1S/C29H44O3/c1-18-19-9-12-28(6)23(26(19,4)11-10-22(18)30)8-7-20-21-17-25(2,3)13-15-29(21,24(31)32)16-14-27(20,28)5/h7,18-19,21,23H,8-17H2,1-6H3,(H,31,32)/t18-,19+,21-,23-,26-,27-,28+,29-/m1/s1","","2017-01-20","2017-12-29","(4~{a}~{R},6~{a}~{R},6~{a}~{S},6~{b}~{S},8~{a}~{S},9~{R},12~{a}~{R},14~{b}~{R})-2,2,6~{a},6~{b},9,12~{a}-hexamethyl-10-oxidanylidene-1,3,4,5,6,6~{a},7,8,8~{a},9,11,12,13,14~{b}-tetradecahydropicene-4~{a}-carboxylic acid","2018-01-03"],["QYO","(1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol","C15 H15 F N4 O","OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12;O[CH]1CC[CH](C1)Nc2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCC(C4)O","InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m1/s1","","2022-06-14","2022-07-01","(1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol","2022-07-06"],["QYP","(4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid","C16 H20 Br N O3","O=C(O)C1(CC(=O)Nc2ccc(Br)cc21)CCCCCC;CCCCCC[C]1(CC(=O)Nc2ccc(Br)cc12)C(O)=O;CCCCCCC1(CC(=O)Nc2c1cc(cc2)Br)C(=O)O","InChI=1S/C16H20BrNO3/c1-2-3-4-5-8-16(15(20)21)10-14(19)18-13-7-6-11(17)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H,20,21)/t16-/m0/s1","","2023-05-08","2023-06-09","(4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid","2023-06-14"],["7VY","(3R)-3-[(3-methoxyphenyl)methyl]piperidine","C13 H19 N O","c1ccc(cc1OC)CC2CNCCC2;COc1cccc(C[CH]2CCCNC2)c1;COc1cccc(c1)CC2CCCNC2","InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3/t12-/m1/s1","","2016-12-08","2017-01-06","(3R)-3-[(3-methoxyphenyl)methyl]piperidine","2017-01-11"],["7VZ","methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate","C14 H18 Cl N O4 S2","COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O;COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N","InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)12(8-11(10)15)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19)","","2021-09-09","2022-01-07","methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate","2022-01-12"],["QYQ","~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide","C24 H27 Cl F3 N5 O4 S","CO[CH](C)c1n2nc(Cl)cc2ncc1Nc3ccc(cc3)[CH](N(C)C(=O)C4CC[S](=O)(=O)CC4)C(F)(F)F;CC(c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)C(C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC","InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1","","2020-08-21","2020-11-27","~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide","2020-12-02"],["QYR","(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H20 Cl N3 O3 S","O=S(=O)(C1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)C5CC5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5","InChI=1S/C22H20ClN3O3S/c23-16-6-5-15-12-26(30(28,29)17-7-8-17)13-20(19(15)9-16)22(27)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20H,7-8,12-13H2,(H,25,27)/t20-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["7W0","2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid","C26 H22 N2 O5","Cc1n(Cc2ccccc2c3ccccc3)c4cccc(OCC(O)=O)c4c1C(=O)C(N)=O;Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N","InChI=1S/C26H22N2O5/c1-16-23(25(31)26(27)32)24-20(12-7-13-21(24)33-15-22(29)30)28(16)14-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)","","2017-01-31","2018-01-19","2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid","2018-01-24"],["QYS","(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H35 F2 N3 O8 S","C2(F)(CCC(COC(=O)NC(CC(C)C)C(NC(CC1C(=O)NCC1)C(S(=O)(=O)O)O)=O)CC2)F;CC(C)C[CH](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F","InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19?/m0/s1","","2020-01-15","2024-09-27","(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2020-07-08"],["7W1","3-methylquinolin-4-amine","C10 H10 N2","c1(c(C)cnc2ccccc12)N;Cc1cnc2ccccc2c1N;Cc1cnc2ccccc2c1N","InChI=1S/C10H10N2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3,(H2,11,12)","","2016-12-08","2017-01-26","3-methylquinolin-4-amine","2017-02-01"],["7W2","(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid","C11 H10 F5 N O2","N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O;c1c(cc(c(c1F)C(F)(F)F)F)CCC(C(=O)O)N","InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1","","2021-10-29","2024-09-27","(2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid","2023-07-26"],["QYT","(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE","C12 H7 N3 O2 S","O=C1C(SC(=O)N1)=Cc3cc2nccnc2cc3;O=C1NC(=O)C(S1)=Cc2ccc3nccnc3c2;c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2","InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-","5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE","2005-07-05","2021-03-13","(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione",""],["QYU","(1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol","C15 H15 F N4 O","OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12;O[CH]1CC[CH](C1)Nc2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCC(C4)O","InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m0/s1","","2022-06-14","2022-07-01","(1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol","2022-07-06"],["7W3","2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid","C21 H17 F3 N2 O5","Cc1n(Cc2ccccc2C(F)(F)F)c3cccc(OCC(O)=O)c3c1C(=O)C(N)=O;Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N","InChI=1S/C21H17F3N2O5/c1-11-17(19(29)20(25)30)18-14(7-4-8-15(18)31-10-16(27)28)26(11)9-12-5-2-3-6-13(12)21(22,23)24/h2-8H,9-10H2,1H3,(H2,25,30)(H,27,28)","","2017-01-31","2018-01-19","2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid","2018-01-24"],["QYV","4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","C24 H21 F2 N3 O5 S","c1cc(c(cc1S(C)(=O)=O)C3=CN(C)C(c2c3cc(C(=O)NCC)n2)=O)Oc4c(cc(cc4)F)F;CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c3cc(ccc3Oc4ccc(F)cc4F)[S](C)(=O)=O)c2c1;CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C","InChI=1S/C24H21F2N3O5S/c1-4-27-23(30)19-11-16-17(12-29(2)24(31)22(16)28-19)15-10-14(35(3,32)33)6-8-20(15)34-21-7-5-13(25)9-18(21)26/h5-12,28H,4H2,1-3H3,(H,27,30)","","2020-01-15","2020-05-01","4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","2020-05-06"],["7W4","2-methylimidazo[1,2-a]pyridin-3-amine","C8 H9 N3","Cc1c(n2c(n1)cccc2)N;Cc1nc2ccccn2c1N;Cc1c(n2ccccc2n1)N","InChI=1S/C8H9N3/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,9H2,1H3","","2016-12-08","2017-01-26","2-methylimidazo[1,2-a]pyridin-3-amine","2017-02-01"],["QYW","4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C13 H10 N6","Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1;Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N","InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19)","","2020-08-21","2021-06-25","4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-06-30"],["7W5","N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C28 H44 N4 O6","CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)(C)C)NC(=O)OCc2ccccc2","InChI=1S/C28H44N4O6/c1-27(2,3)15-21(24(35)30-20(16-33)14-19-12-13-29-23(19)34)31-25(36)22(28(4,5)6)32-26(37)38-17-18-10-8-7-9-11-18/h7-11,19-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t19-,20-,21-,22+/m0/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-20"],["7W6","2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid","C20 H17 Br N2 O5","Cc1n(Cc2cccc(Br)c2)c3cccc(OCC(O)=O)c3c1C(=O)C(N)=O;Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N","InChI=1S/C20H17BrN2O5/c1-11-17(19(26)20(22)27)18-14(6-3-7-15(18)28-10-16(24)25)23(11)9-12-4-2-5-13(21)8-12/h2-8H,9-10H2,1H3,(H2,22,27)(H,24,25)","","2017-01-31","2018-01-19","2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid","2018-01-24"],["QYX","2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid","C16 H18 N3 O4 S","CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2;CSCCC(=N)C1=[N+](C(=O)C(=N1)Cc2ccc(cc2)O)CC(=O)O","InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12-","CHROMOPHORE (MET-TYR-GLY)","2022-11-18","2024-09-27","2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid","2023-02-15"],["QYY","4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","C27 H29 N3 O5 S","c1c(c(cc(c1)S(CC)(=O)=O)C3=CN(C(c2nc(cc23)C(NCC)=O)=O)C)Oc4c(C)cccc4C;CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c2c1)c3cc(ccc3Oc4c(C)cccc4C)[S](=O)(=O)CC;CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C","InChI=1S/C27H29N3O5S/c1-6-28-26(31)22-14-20-21(15-30(5)27(32)24(20)29-22)19-13-18(36(33,34)7-2)11-12-23(19)35-25-16(3)9-8-10-17(25)4/h8-15,29H,6-7H2,1-5H3,(H,28,31)","","2020-01-15","2020-05-01","4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","2020-05-06"],["7W7","(3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide","C14 H19 N3 O2","c2(CC1CN(CCC1)C(=N)N)cccc3c2OCO3;NC(=N)N1CCC[CH](C1)Cc2cccc3OCOc23;c1cc(c2c(c1)OCO2)CC3CCCN(C3)C(=N)N","InChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)/t10-/m1/s1","","2016-12-08","2017-01-06","(3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide","2017-01-11"],["7W8","2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile","C18 H17 F N4","CN(C)Cc1ccc(F)c(c1)c2ccc3c([nH]c(N)c3C#N)c2;CN(C)Cc1ccc(c(c1)c2ccc3c(c2)[nH]c(c3C#N)N)F","InChI=1S/C18H17FN4/c1-23(2)10-11-3-6-16(19)14(7-11)12-4-5-13-15(9-20)18(21)22-17(13)8-12/h3-8,22H,10,21H2,1-2H3","2-Amino-6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-1H-indole-3-carbonitrile","2021-09-09","2022-09-16","2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1~{H}-indole-3-carbonitrile","2022-09-21"],["QYZ","(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one","C14 H11 N O2","Cc1oc(cc1)C=C2C(=O)Nc3ccccc23;Cc1ccc(o1)C=C2c3ccccc3NC2=O","InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+","","2020-08-21","2021-06-25","(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one","2021-06-30"],["7W9","2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid","C24 H20 N2 O5","Cc1n(Cc2cccc3ccccc23)c4cccc(OCC(O)=O)c4c1C(=O)C(N)=O;Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N","InChI=1S/C24H20N2O5/c1-14-21(23(29)24(25)30)22-18(10-5-11-19(22)31-13-20(27)28)26(14)12-16-8-4-7-15-6-2-3-9-17(15)16/h2-11H,12-13H2,1H3,(H2,25,30)(H,27,28)","","2017-01-31","2018-01-19","2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid","2018-01-24"],["QZ0","(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-N~2~,N~2~-dimethyl-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide","C22 H21 Cl N4 O2","CN(C)C(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CN(C)C(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(C)C(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C22H21ClN4O2/c1-26(2)22(29)27-12-15-7-8-16(23)9-18(15)19(13-27)21(28)25-20-11-24-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,25,28)/t19-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-N~2~,N~2~-dimethyl-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide","2023-11-08"],["7WA","1H-benzimidazol-4-amine","C7 H7 N3","c21c(cccc1N)ncn2;Nc1cccc2[nH]cnc12;c1cc(c2c(c1)[nH]cn2)N","InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2,(H,9,10)","","2016-12-08","2017-01-26","1H-benzimidazol-4-amine","2017-02-01"],["QZ1","2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid","C19 H22 F N O2","c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC;CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1;CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F","InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)","","2020-01-15","2020-04-10","2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid","2020-04-15"],["7WB","(2Z)-2-indol-3-ylidene-3H-1,3-thiazole","C11 H8 N2 S1","N1C=CSC1=C2C=Nc3ccccc23;c1ccc2c(c1)C(=C3NC=CS3)C=N2","InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+","Camalexin","2015-06-15","2021-03-01","(2Z)-2-indol-3-ylidene-3H-1,3-thiazole","2016-06-29"],["QZ2","3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid","C8 H8 N4 O2","Cn1cc(cn1)c2cc([nH]n2)C(O)=O;Cn1cc(cn1)c2cc([nH]n2)C(=O)O","InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14)","","2020-08-21","2021-06-25","3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid","2021-06-30"],["7WC","(3S)-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid","C7 H14 N2 O3","CN[CH](CC(O)=O)C(=O)N(C)C;CNC(CC(=O)O)C(=O)N(C)C","InChI=1S/C7H14N2O3/c1-8-5(4-6(10)11)7(12)9(2)3/h5,8H,4H2,1-3H3,(H,10,11)/t5-/m0/s1","","2021-10-29","2024-09-27","(3~{S})-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid","2023-07-26"],["QZ3","N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE","C19 H18 N4 O3 S","O=S(=O)(Nc3ccc(C=2c1c(nc(cc1NC(=O)C=2C#N)CC)C)cc3)C;CCc1cc2NC(=O)C(=C(c3ccc(N[S](C)(=O)=O)cc3)c2c(C)n1)C#N;CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C","InChI=1S/C19H18N4O3S/c1-4-13-9-16-17(11(2)21-13)18(15(10-20)19(24)22-16)12-5-7-14(8-6-12)23-27(3,25)26/h5-9,23H,4H2,1-3H3,(H,22,24)","","2014-05-30","2015-06-12","N-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1,2-dihydro-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide","2015-06-17"],["QZ4","4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","C23 H37 F2 N3 O5","C(CC1CCCCC1)(C(NC(CC2C(=O)NCC2)CO)=O)NC(=O)OC3CCC(CC3)(F)F;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)OC3CCC(F)(F)CC3;C1CCC(CC1)CC(C(=O)NC(CC2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F","InChI=1S/C23H37F2N3O5/c24-23(25)9-6-18(7-10-23)33-22(32)28-19(12-15-4-2-1-3-5-15)21(31)27-17(14-29)13-16-8-11-26-20(16)30/h15-19,29H,1-14H2,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1","","2020-01-15","2024-09-27","4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2020-08-12"],["7WD","(6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine","C15 H17 N3 O2","c14OCOc1c(CC3CCc2cnc(n2C3)N)ccc4;Nc1ncc2CC[CH](Cn12)Cc3cccc4OCOc34;c1cc(c2c(c1)OCO2)CC3CCc4cnc(n4C3)N","InChI=1S/C15H17N3O2/c16-15-17-7-12-5-4-10(8-18(12)15)6-11-2-1-3-13-14(11)20-9-19-13/h1-3,7,10H,4-6,8-9H2,(H2,16,17)/t10-/m0/s1","","2016-12-08","2017-01-06","(6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine","2017-01-11"],["QZ6","(2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione","C14 H13 F N4 O2 S","O=S1(=O)CCC1CNc1ncnc2[NH]c3cc(F)ccc3c12;Fc1ccc2c([nH]c3ncnc(NC[CH]4CC[S]4(=O)=O)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)NCC4CCS4(=O)=O","InChI=1S/C14H13FN4O2S/c15-8-1-2-10-11(5-8)19-14-12(10)13(17-7-18-14)16-6-9-3-4-22(9,20)21/h1-2,5,7,9H,3-4,6H2,(H2,16,17,18,19)/t9-/m1/s1","","2022-06-14","2022-07-01","(2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione","2022-07-06"],["7WE","4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one","C14 H17 Cl N4 O","CN1N=CC(Nc2ccc(CN(C)C)cc2)=C(Cl)C1=O;CN(C)Cc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1;CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN(C)C)Cl","InChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3","","2021-08-23","2022-08-19","4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one","2022-08-24"],["QZ7","N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C20 H33 F2 N3 O5","C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F;CC(C)C[CH](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F","InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1","","2020-01-15","2024-09-27","N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-08-12"],["7WF","2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid","C10 H22 N2 O8 S2","O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O;C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O","InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1","POPSO","2017-01-25","2020-06-17","2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid","2017-04-12"],["7WG","5-cyclopropyl-1H-imidazol-2-amine","C6 H9 N3","c1nc(nc1C2CC2)N;Nc1[nH]c(cn1)C2CC2;c1c([nH]c(n1)N)C2CC2","InChI=1S/C6H9N3/c7-6-8-3-5(9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)","","2016-12-08","2017-01-26","5-cyclopropyl-1H-imidazol-2-amine","2017-02-01"],["QZ8","3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one","C13 H11 N3 O","Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12;Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3","InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17)","","2019-12-13","2020-06-05","3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one","2020-06-10"],["7WH","2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","C15 H14 N2 O5","COCC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O;COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O","InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)","","2015-07-09","2016-01-08","2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","2016-01-13"],["QZA","(2R,3S)-3-amino-1-chlorobutan-2-ol","C4 H10 Cl N O","NC(C)C(CCl)O;C[CH](N)[CH](O)CCl;CC(C(CCl)O)N","InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1","(3S)-3-amino-1-chlorobutan-2-one, bound form","2020-01-16","2024-09-27","(2R,3S)-3-amino-1-chlorobutan-2-ol","2020-09-16"],["7WI","1-(3-chlorophenyl)-3-(2-methoxyethyl)urea","C10 H13 Cl N2 O2","Clc1cc(NC(=O)NCCOC)ccc1;COCCNC(=O)Nc1cccc(Cl)c1;COCCNC(=O)Nc1cccc(c1)Cl","InChI=1S/C10H13ClN2O2/c1-15-6-5-12-10(14)13-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H2,12,13,14)","","2013-09-09","2014-09-26","1-(3-chlorophenyl)-3-(2-methoxyethyl)urea","2014-10-01"],["QZC","(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C21 H21 Cl N4 O3 S","CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CN(C)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C21H21ClN4O3S/c1-25(2)30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)24-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["QZD","N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C20 H35 N3 O7","C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2;CCC1(COCOC1)OC(=O)N[CH](CC(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CCC1(COCOC1)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)CO","InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1","","2020-01-17","2024-09-27","N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-08-12"],["7WJ","(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid","C20 H19 N5 O3","C(=O)(O)C(CCNC(c2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N;N[CH](CCNC(=O)c1cc(nc(c1)c2ccccn2)c3ccccn3)C(O)=O;c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCCC(C(=O)O)N","InChI=1S/C20H19N5O3/c21-14(20(27)28)7-10-24-19(26)13-11-17(15-5-1-3-8-22-15)25-18(12-13)16-6-2-4-9-23-16/h1-6,8-9,11-12,14H,7,10,21H2,(H,24,26)(H,27,28)/t14-/m0/s1","","2016-12-08","2024-09-27","(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid","2017-02-22"],["7WK","foliosidine ","C16 H21 N O5","COC1=CC(=O)N(C)c2c(OC[CH](O)C(C)(C)O)cccc12;CC(C)(C(COc1cccc2c1N(C(=O)C=C2OC)C)O)O","InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3/t13-/m1/s1","4-methoxy-1-methyl-8-[(2~{R})-3-methyl-2,3-bis(oxidanyl)butoxy]quinolin-2-one","2021-09-09","2022-09-09","4-methoxy-1-methyl-8-[(2~{R})-3-methyl-2,3-bis(oxidanyl)butoxy]quinolin-2-one","2022-09-14"],["QZE","4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid","C24 H16 N4 O3","O=C(O)c1ccc(cc1)C4=C(C#N)C(=O)NC=5c3c(c(c2cnnc2)ccc3)CCC4=5;OC(=O)c1ccc(cc1)C2=C(C#N)C(=O)NC3=C2CCc4c(cccc34)c5c[nH]nc5;c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5","InChI=1S/C24H16N4O3/c25-10-20-21(13-4-6-14(7-5-13)24(30)31)19-9-8-17-16(15-11-26-27-12-15)2-1-3-18(17)22(19)28-23(20)29/h1-7,11-12H,8-9H2,(H,26,27)(H,28,29)(H,30,31)","","2014-05-30","2015-06-12","4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-1,2,5,6-tetrahydrobenzo[h]quinolin-4-yl]benzoic acid","2015-06-17"],["7WL","3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide","C21 H18 F3 N O4 S3","CCOc1ccc(cc1CSc2ccsc2C(=O)N[S](=O)(=O)c3ccccc3)C(F)(F)F;CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F","InChI=1S/C21H18F3NO4S3/c1-2-29-17-9-8-15(21(22,23)24)12-14(17)13-31-18-10-11-30-19(18)20(26)25-32(27,28)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,25,26)","","2017-01-27","2017-07-21","3-[[2-ethoxy-5-(trifluoromethyl)phenyl]methylsulfanyl]-~{N}-(phenylsulfonyl)thiophene-2-carboxamide","2017-07-26"],["QZF","(8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H17 F N4 O2","O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12;OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c34;c1ccc2c(c1)c3c([nH]2)ncnc3N4CC5(CCC5)C(C4)(C(=O)O)F","InChI=1S/C18H17FN4O2/c19-18(16(24)25)9-23(8-17(18)6-3-7-17)15-13-11-4-1-2-5-12(11)22-14(13)20-10-21-15/h1-2,4-5,10H,3,6-9H2,(H,24,25)(H,20,21,22)/t18-/m1/s1","","2022-06-14","2022-07-01","(8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["QZG","N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide","C23 H41 N3 O5","C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C;CC(C)C[CH](NC(=O)O[CH]1CC[CH](CC1)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C","InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1","","2020-01-17","2024-09-27","N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide","2020-08-12"],["7WN","4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one","C14 H15 Cl N4 O","CN1N=CC(Nc2cc3CNCCc3cc2)=C(Cl)C1=O;CN1N=CC(=C(Cl)C1=O)Nc2ccc3CCNCc3c2;CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CNCC3)Cl","InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-9-4-5-16-7-10(9)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3","","2021-08-23","2022-08-19","4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one","2022-08-24"],["QZH","(5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid","C12 H17 N O6 S","C[CH](O)[CH]([CH]1SC(=CCCCO)C(=N1)C(O)=O)C(O)=O;CC(C(C1N=C(C(=CCCCO)S1)C(=O)O)C(=O)O)O","InChI=1S/C12H17NO6S/c1-6(15)8(11(16)17)10-13-9(12(18)19)7(20-10)4-2-3-5-14/h4,6,8,10,14-15H,2-3,5H2,1H3,(H,16,17)(H,18,19)/b7-4-/t6-,8-,10-/m1/s1","","2020-08-24","2021-02-19","(5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid","2021-02-24"],["7WO","2-hydroxynaphthalene-1-carbaldehyde","C11 H8 O2","c2ccc1c(C=O)c(ccc1c2)O;Oc1ccc2ccccc2c1C=O;c1ccc2c(c1)ccc(c2C=O)O","InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H","","2016-12-09","2024-09-27","2-hydroxynaphthalene-1-carbaldehyde","2017-02-15"],["QZI","2-methyl-2-(pentachlorophenoxy)propanoic acid","C10 H7 Cl5 O3","Clc1c(OC(C)(C)C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl;CC(C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(O)=O;CC(C)(C(=O)O)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H7Cl5O3/c1-10(2,9(16)17)18-8-6(14)4(12)3(11)5(13)7(8)15/h1-2H3,(H,16,17)","","2023-05-08","2023-06-09","2-methyl-2-(pentachlorophenoxy)propanoic acid","2023-06-14"],["7WP","2,4-diaminopteridine-6-carbaldehyde","C7 H6 N6 O","c12nc(C=O)cnc1nc(N)nc2N;Nc1nc(N)c2nc(C=O)cnc2n1;c1c(nc2c(nc(nc2n1)N)N)C=O","InChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13)","","2016-12-08","2024-09-27","2,4-diaminopteridine-6-carbaldehyde","2017-02-08"],["7WQ","2-hydroxy-5-methoxybenzaldehyde","C8 H8 O3","COc1cc(c(cc1)O)C=O;COc1ccc(O)c(C=O)c1;COc1ccc(c(c1)C=O)O","InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3","","2016-12-09","2024-09-27","2-hydroxy-5-methoxybenzaldehyde","2017-02-08"],["QZJ","N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C22 H39 N3 O5","C(CC1C(=O)NCC1)(NC(C(CC(C)C)NC(=O)OC2CCC(CC2)CC)=O)CO;CC[CH]1CC[CH](CC1)OC(=O)N[CH](CC(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CCC1CCC(CC1)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)CO","InChI=1S/C22H39N3O5/c1-4-15-5-7-18(8-6-15)30-22(29)25-19(11-14(2)3)21(28)24-17(13-26)12-16-9-10-23-20(16)27/h14-19,26H,4-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1","","2020-01-17","2024-09-27","N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-08-12"],["QZK","{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)","C13 H15 N O8 P2 S","O=S(=O)(NC(P(=O)(O)O)P(=O)(O)O)c2ccc(c1ccccc1)cc2;O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)","","2014-06-24","2015-06-12","{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)","2015-06-17"],["7WR","3-methoxy-4,5-bis(oxidanyl)benzoic acid","C8 H8 O5","COc1cc(cc(O)c1O)C(O)=O;COc1cc(cc(c1O)O)C(=O)O","InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)","","2017-01-30","2017-05-12","3-methoxy-4,5-bis(oxidanyl)benzoic acid","2017-05-17"],["7WT","Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid","C23 H34 O5","O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2;c1ccc(cc1)CCC(CCC2C(CC(C2CC=CCCCC(=O)O)O)O)O","InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1","7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid","2023-03-13","2023-07-07","(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(3~{R})-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid","2023-07-12"],["QZL","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H25 Cl N4 O3 S","O=S(=O)(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)N1CCC(C)C1;C[CH]1CCN(C1)[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2;CC1CCN(C1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30)/t16-,22-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["7WU","methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate","C26 H34 O8","COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3C=C(C)[C]2(C)C1=O;CC1=CC2C3(CCC(=O)C(C3C(=O)C(C2(C4C1(C(=O)C(OC4=O)(C)C(=O)OC)C)C)O)(C)C)C","InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h11,13,16-18,29H,9-10H2,1-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1","","2017-01-31","2017-07-21","methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12,12~{a}-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4~{a},5,6~{a},9,10,10~{b}-hexahydronaphtho[1,2-h]isochromene-2-carboxylate","2017-07-26"],["QZM","2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide","C25 H28 N4 O7","c1(ccc(cc1OC)CCNC(=O)C3=C(C(=O)NC(C(C)(C)NC(=O)OCc2ccccc2)=N3)O)O;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)C(C)(C)NC(=O)OCc3ccccc3)ccc1O;CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3","InChI=1S/C25H28N4O7/c1-25(2,29-24(34)36-14-16-7-5-4-6-8-16)23-27-19(20(31)22(33)28-23)21(32)26-12-11-15-9-10-17(30)18(13-15)35-3/h4-10,13,30-31H,11-12,14H2,1-3H3,(H,26,32)(H,29,34)(H,27,28,33)","SJ000986192","2020-01-17","2021-03-01","benzyl [2-(5-hydroxy-4-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate","2021-02-10"],["7WV","2-bromobenzoic acid","C7 H5 Br O2","c1ccc(c(c1)C(O)=O)Br;OC(=O)c1ccccc1Br;c1ccc(c(c1)C(=O)O)Br","InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)","","2016-12-09","2017-04-28","2-bromobenzoic acid","2017-05-03"],["QZN","3-amino-7-chloro-2-nonylquinazolin-4(3H)-one","C17 H24 Cl N3 O","Clc2ccc1c(N=C(N(C1=O)N)CCCCCCCCC)c2;CCCCCCCCCC1=Nc2cc(Cl)ccc2C(=O)N1N;CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl","InChI=1S/C17H24ClN3O/c1-2-3-4-5-6-7-8-9-16-20-15-12-13(18)10-11-14(15)17(22)21(16)19/h10-12H,2-9,19H2,1H3","","2013-06-20","2013-08-02","3-amino-7-chloro-2-nonylquinazolin-4(3H)-one","2013-08-07"],["QZO","(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid","C17 H15 F N4 O2","O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[CH]1[CH]2CCN(C[CH]12)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC5C(C4)C5C(=O)O","InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1","","2022-06-14","2022-07-01","(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid","2022-07-06"],["7WW","[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone","C21 H20 Cl N3 O3","COc1ccc(cc1)n2nc(cc2c3ccccc3Cl)C(=O)N4CC[CH](O)C4;COc1ccc(cc1)n2c(cc(n2)C(=O)N3CCC(C3)O)c4ccccc4Cl","InChI=1S/C21H20ClN3O3/c1-28-16-8-6-14(7-9-16)25-20(17-4-2-3-5-18(17)22)12-19(23-25)21(27)24-11-10-15(26)13-24/h2-9,12,15,26H,10-11,13H2,1H3/t15-/m1/s1","","2023-07-13","2025-08-08","[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3~{R})-3-oxidanylpyrrolidin-1-yl]methanone","2025-08-13"],["QZP","4-(2-methylpropyl)benzoic acid","C11 H14 O2","c1c(CC(C)C)ccc(C(O)=O)c1;CC(C)Cc1ccc(cc1)C(O)=O;CC(C)Cc1ccc(cc1)C(=O)O","InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)","4-isobutylbenzoic acid","2020-01-20","2021-03-01","4-(2-methylpropyl)benzoic acid","2021-01-20"],["7WX","methyl (5S,7S,8S,9S,10S,13R,14R,16S)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate","C26 H34 O8","COC(=O)[C]12C(=O)[C](C)(O)C(=O)[C]1(C)C(=C[CH]3[C]4(C)CCC(=O)C(C)(C)[CH]4C(=O)[CH](O)[C]23C)C;CC1=CC2C3(CCC(=O)C(C3C(=O)C(C2(C4(C1(C(=O)C(C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C","InChI=1S/C26H34O8/c1-12-11-13-22(4)10-9-14(27)21(2,3)16(22)15(28)17(29)24(13,6)26(20(32)34-8)19(31)25(7,33)18(30)23(12,26)5/h11,13,16-17,29,33H,9-10H2,1-8H3/t13-,16+,17+,22-,23-,24+,25-,26-/m0/s1","","2017-01-31","2017-07-21","methyl (5~{S},7~{S},8~{S},9~{S},10~{S},13~{R},14~{R},16~{S})-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1~{H}-cyclopenta[a]phenanthrene-14-carboxylate","2017-07-26"],["7WY","5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine","C22 H19 Cl N6","c42c(c1c(C)nnn1CCN2c3ccc(cc3)Cl)ccc(c4)c5ccc(nc5)N;Cc1nnn2CCN(c3ccc(Cl)cc3)c4cc(ccc4c12)c5ccc(N)nc5;Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl","InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25)","","2016-12-09","2017-12-08","5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine","2017-12-13"],["QZQ","Betulinic Acid","C30 H46 O3","CC(=C)[CH]1CC[C]2(CC[C]3(C)[CH](CC[CH]4[C]5(C)C=C[CH](O)C(C)(C)[CH]5CC[C]34C)[CH]12)C(O)=O;CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=CC(C5(C)C)O)C)C)C(=O)O","InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h12-13,19-24,31H,1,8-11,14-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23-,24+,27-,28+,29+,30-/m0/s1","","2016-08-26","2017-08-04","(1~{R},3~{a}~{S},5~{a}~{R},5~{b}~{R},7~{a}~{S},9~{S},11~{a}~{R},11~{b}~{R},13~{a}~{R},13~{b}~{R})-5~{a},5~{b},8,8,11~{a}-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7~{a},9,11~{b},12,13,13~{a},13~{b}-tetradecahydrocyclopenta[a]chrysene-3~{a}-carboxylic acid","2017-08-09"],["QZR","6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine","C14 H13 N3 O2 S2","Cc1sc2ncnc(Nc3ccc(cc3)[S](C)(=O)=O)c2c1;Cc1cc2c(ncnc2s1)Nc3ccc(cc3)S(=O)(=O)C","InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17)","","2022-11-21","2022-12-23","6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine","2022-12-28"],["7WZ","5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one","C12 H13 Cl N4 O","CN1N=CC(Nc2ccc(CN)cc2)=C(Cl)C1=O;CN1N=CC(=C(Cl)C1=O)Nc2ccc(CN)cc2;CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN)Cl","InChI=1S/C12H13ClN4O/c1-17-12(18)11(13)10(7-15-17)16-9-4-2-8(6-14)3-5-9/h2-5,7,16H,6,14H2,1H3","","2021-08-23","2022-08-19","5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one","2022-08-24"],["7X0","(1R,2S,4aS,4bS,8aS,10S,10aS)-2-[(2S)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid","C26 H36 O9","COC(=O)[C](C)(O)C(=O)[C]1(C)[CH](C(O)=O)[C]2(C)[CH](O)C(=O)[CH]3C(C)(C)C(=O)CC[C]3(C)[CH]2C=C1C;CC1=CC2C3(CCC(=O)C(C3C(=O)C(C2(C(C1(C)C(=O)C(C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C","InChI=1S/C26H36O9/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17(19(30)31)24(12,5)20(32)26(7,34)21(33)35-8/h11,13,16-18,29,34H,9-10H2,1-8H3,(H,30,31)/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1","","2017-02-01","2017-07-21","(1~{R},2~{S},4~{a}~{S},4~{b}~{S},8~{a}~{S},10~{S},10~{a}~{S})-2-[(2~{S})-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4~{b},8,8,10~{a}-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4~{a},5,6,8~{a},10-hexahydrophenanthrene-1-carboxylic acid","2017-07-26"],["QZS","~{N}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide","C31 H31 N7 O6 S","Nc1cccc2c(OCCc3cn(CCCOc4cccc(CNC(=O)c5ccc(cc5)[S](N)(=O)=O)c4)nn3)cc(C=O)nc12;c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N","InChI=1S/C31H31N7O6S/c32-28-7-2-6-27-29(17-24(20-39)35-30(27)28)44-15-12-23-19-38(37-36-23)13-3-14-43-25-5-1-4-21(16-25)18-34-31(40)22-8-10-26(11-9-22)45(33,41)42/h1-2,4-11,16-17,19-20H,3,12-15,18,32H2,(H,34,40)(H2,33,41,42)","","2018-12-04","2024-08-29","~{N}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide","2019-12-25"],["QZT","thiolane 1-oxide","C4 H8 O S","O=[S]1CCCC1;C1CCS(=O)C1","InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2","","2020-08-24","2021-06-11","thiolane 1-oxide","2021-06-16"],["7X1","N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine","C24 H27 Cl N4 O4","Clc1ccc5OCOc5c1Nc4ncnc3c4cc(OC)c(OCCCN2CCCCC2)c3;COc1cc2c(Nc3c(Cl)ccc4OCOc34)ncnc2cc1OCCCN5CCCCC5;COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl","InChI=1S/C24H27ClN4O4/c1-30-20-12-16-18(13-21(20)31-11-5-10-29-8-3-2-4-9-29)26-14-27-24(16)28-22-17(25)6-7-19-23(22)33-15-32-19/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,26,27,28)","","2008-06-27","2011-06-04","N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine",""],["QZU","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C23 H20 Cl N3 O3","C=CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;Clc1ccc2OCC[C](CNC(=O)C=C)(C(=O)Nc3cncc4ccccc34)c2c1;C=CC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C23H20ClN3O3/c1-2-21(28)26-14-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)27-19-13-25-12-15-5-3-4-6-17(15)19/h2-8,11-13H,1,9-10,14H2,(H,26,28)(H,27,29)/t23-/m0/s1","","2023-08-21","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7X2","N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE","C20 H19 Cl N4 O5","Clc1ccc4OCOc4c1Nc2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3;COc1cc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl","InChI=1S/C20H19ClN4O5/c1-26-14-8-11(9-15(27-2)18(14)28-3)23-20-22-7-6-16(25-20)24-17-12(21)4-5-13-19(17)30-10-29-13/h4-9H,10H2,1-3H3,(H2,22,23,24,25)","","2008-06-27","2011-06-04","N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",""],["7X3","N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE","C19 H20 Cl N5 O4","Clc3cc(Nc1ncnc(n1)Nc2cc(OC)c(OC)c(OC)c2)ccc3OC;COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl;COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)","","2008-06-27","2011-06-04","N-(3-chloro-4-methoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine",""],["QZV","2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid","C46 H40 N2 O10","c6c(C#Cc2c(CC(O)=O)c1c(ccc(C)c1)o2)ccc(C(NCCOCCOCCNC(=O)c3ccc(cc3)C#Cc4oc5c(c4CC(O)=O)cc(cc5)C)=O)c6;Cc1ccc2oc(C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O","InChI=1S/C46H40N2O10/c1-29-3-15-39-35(25-29)37(27-43(49)50)41(57-39)17-9-31-5-11-33(12-6-31)45(53)47-19-21-55-23-24-56-22-20-48-46(54)34-13-7-32(8-14-34)10-18-42-38(28-44(51)52)36-26-30(2)4-16-40(36)58-42/h3-8,11-16,25-26H,19-24,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)","","2020-01-20","2021-01-15","2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid","2021-01-20"],["QZW","4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine","C17 H15 N5 O S","Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1;Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4","InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22)","","2020-08-24","2021-06-25","4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine","2021-06-30"],["7X4","3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide","C17 H14 Cl N5 O4 S","O=S(=O)(N)c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34;N[S](=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1;c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl","InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23)","","2008-06-27","2011-06-04","3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide",""],["QZX","(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid","C17 H15 F N4 O2","O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[CH]1[CH]2CCN(C[CH]12)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC5C(C4)C5C(=O)O","InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1","","2022-06-14","2022-07-01","(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid","2022-07-06"],["7X5","N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine","C18 H15 Cl N4 O4 S","O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C;C[S](=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1;CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl","InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)","","2008-06-30","2011-06-04","N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine",""],["7X6","N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE","C18 H16 Cl N5 O4 S","O=S(=O)(Nc1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C;C[S](=O)(=O)Nc1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1;CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl","InChI=1S/C18H16ClN5O4S/c1-29(25,26)24-12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)28-10-27-14/h2-9,24H,10H2,1H3,(H2,20,21,22,23)","","2008-06-30","2011-06-04","N-[3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)phenyl]methanesulfonamide",""],["QZY","3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid","C27 H24 N2 O4 S","c1ccccc1Oc4ccc(c2cc(c(s2)C(O)=O)NC(=O)N(CC)Cc3ccccc3)cc4;CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(O)=O)c3ccc(Oc4ccccc4)cc3;CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4","InChI=1S/C27H24N2O4S/c1-2-29(18-19-9-5-3-6-10-19)27(32)28-23-17-24(34-25(23)26(30)31)20-13-15-22(16-14-20)33-21-11-7-4-8-12-21/h3-17H,2,18H2,1H3,(H,28,32)(H,30,31)","","2020-01-20","2020-10-02","3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid","2020-10-07"],["7X7","N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE","C21 H20 Cl N5 O3","Clc2ccc1OCOc1c2Nc3nc(ncc3)Nc5cc(N4CCOCC4)ccc5;Clc1ccc2OCOc2c1Nc3ccnc(Nc4cccc(c4)N5CCOCC5)n3;c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl","InChI=1S/C21H20ClN5O3/c22-16-4-5-17-20(30-13-29-17)19(16)25-18-6-7-23-21(26-18)24-14-2-1-3-15(12-14)27-8-10-28-11-9-27/h1-7,12H,8-11,13H2,(H2,23,24,25,26)","","2008-06-30","2011-06-04","N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine",""],["QZZ","4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid","C20 H14 N2 O4","N#CC2=C(C=C(c1cccc(OC)c1)NC2=O)c3ccc(C(=O)O)cc3;COc1cccc(c1)C2=CC(=C(C#N)C(=O)N2)c3ccc(cc3)C(O)=O;COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O","InChI=1S/C20H14N2O4/c1-26-15-4-2-3-14(9-15)18-10-16(17(11-21)19(23)22-18)12-5-7-13(8-6-12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)","","2014-05-29","2015-06-12","4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1,2-dihydropyridin-4-yl]benzoic acid","2015-06-17"],["R00","N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine","C19 H24 N2 O3","O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2;N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(C(CNC(Cc2ccccc2)C(=O)O)O)N","InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18-/m0/s1","","2010-11-17","2012-01-13","N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine",""],["7X8","3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE","C18 H14 Cl N5 O3","O=C(N)c1cc(ccc1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34;NC(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1;c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N","InChI=1S/C18H14ClN5O3/c19-12-4-5-13-16(27-9-26-13)15(12)23-14-6-7-21-18(24-14)22-11-3-1-2-10(8-11)17(20)25/h1-8H,9H2,(H2,20,25)(H2,21,22,23,24)","","2008-06-30","2011-06-04","3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide",""],["R01","(4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE","C24 H22 Br N O","O=C(c1ccc(Br)cc1)c3ccc(c2ccc(cc2)CN(CC=C)C)cc3;CN(CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(Br)cc3;CN(CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br","InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3","","2002-08-24","2011-06-04","(4-bromophenyl)(4'-{[methyl(prop-2-en-1-yl)amino]methyl}biphenyl-4-yl)methanone",""],["7X9","(12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid","C14 H12 F N O3","C[CH]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O;CC1CCc2cc(cc3c2N1C=C(C3=O)C(=O)O)F","InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m1/s1","","2021-09-09","2022-09-09","(12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid","2022-09-14"],["R02","{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE","C24 H26 Br N O2","Brc1ccc(cc1)C(=O)c4ccc(OCC2CC2CN(CC=C)C3CC3)cc4;Brc1ccc(cc1)C(=O)c2ccc(OC[CH]3C[CH]3CN(CC=C)C4CC4)cc2;C=CCN(CC1CC1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4","InChI=1S/C24H26BrNO2/c1-2-13-26(22-9-10-22)15-19-14-20(19)16-28-23-11-5-18(6-12-23)24(27)17-3-7-21(25)8-4-17/h2-8,11-12,19-20,22H,1,9-10,13-16H2/t19-,20-/m1/s1","","2002-08-24","2011-06-04","(4-bromophenyl)(4-{[(1S,2S)-2-{[cyclopropyl(prop-2-en-1-yl)amino]methyl}cyclopropyl]methoxy}phenyl)methanone",""],["7XA","7-amino-N-hydroxyheptanamide","C7 H16 N2 O2","ONC(CCCCCCN)=O;NCCCCCCC(=O)NO;C(CCCN)CCC(=O)NO","InChI=1S/C7H16N2O2/c8-6-4-2-1-3-5-7(10)9-11/h11H,1-6,8H2,(H,9,10)","","2015-05-19","2015-07-24","7-amino-N-hydroxyheptanamide","2015-07-29"],["7XB","2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide","C21 H18 F5 N5 O4","CNC(=O)CN1C(=O)N=C(Nc2ccc(OC(F)F)cc2C)N(Cc3cc(F)c(F)c(F)c3)C1=O;Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F","InChI=1S/C21H18F5N5O4/c1-10-5-12(35-18(25)26)3-4-15(10)28-19-29-20(33)31(9-16(32)27-2)21(34)30(19)8-11-6-13(22)17(24)14(23)7-11/h3-7,18H,8-9H2,1-2H3,(H,27,32)(H,28,29,33)","","2021-11-01","2022-04-01","2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-~{N}-methyl-ethanamide","2022-04-06"],["R03","ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-N-METHYLAMINE","C24 H30 Br N3 O","Brc3ccc(c2nn(c1cc(OCCCCCCN(CC=C)C)ccc12)C)cc3;CN(CCCCCCOc1ccc2c(c1)n(C)nc2c3ccc(Br)cc3)CC=C;Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCCN(C)CC=C","InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3","","2002-08-24","2011-06-04","6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine",""],["R04","(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE","C22 H23 Br F N3 O","Brc3ccc(c2nn(c1cc(OC/C=C/CN(CC=C)C)c(F)cc12)C)cc3;CN(CC=C)CC=CCOc1cc2n(C)nc(c3ccc(Br)cc3)c2cc1F;Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OCC=CCN(C)CC=C","InChI=1S/C22H23BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15H,1,11-13H2,2-3H3/b6-5+","","2002-08-24","2011-06-04","(2E)-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylbut-2-en-1-amine",""],["7XC","(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid","C10 H14 N4 O2","N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)NC(=N)N","InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1","","2017-02-02","2024-09-27","(2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid","2018-07-11"],["R05","5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C19 H16 F2 N6","Cc1nc(NCc2c(F)cccc2F)c3c([nH]cc3c4ccnc(N)c4)n1;Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F","InChI=1S/C19H16F2N6/c1-10-26-18-17(12(8-24-18)11-5-6-23-16(22)7-11)19(27-10)25-9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H2,22,23)(H2,24,25,26,27)","","2020-08-24","2021-06-25","5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2021-06-30"],["7XD","1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea","C27 H22 N4 O2","Oc1c(cccc1c2cccc(CNC(=O)Nc3ccccc3)c2)c4[nH]c5ccncc5c4;c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4","InChI=1S/C27H22N4O2/c32-26-22(10-5-11-23(26)25-15-20-17-28-13-12-24(20)31-25)19-7-4-6-18(14-19)16-29-27(33)30-21-8-2-1-3-9-21/h1-15,17,31-32H,16H2,(H2,29,30,33)","","2016-12-09","2017-06-16","1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea","2017-06-21"],["7XE","4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one","C14 H15 Cl N4 O","CN1N=CC(Nc2cc3CCNCc3cc2)=C(Cl)C1=O;CN1N=CC(=C(Cl)C1=O)Nc2ccc3CNCCc3c2;CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CCNC3)Cl","InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-10-7-16-5-4-9(10)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3","","2021-08-23","2022-08-19","4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one","2022-08-24"],["R06","1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone","C9 H12 Cl3 N3 O3","ClCC(=O)N1CN(CN(C1)C(=O)CCl)C(=O)CCl;C1N(CN(CN1C(=O)CCl)C(=O)CCl)C(=O)CCl","InChI=1S/C9H12Cl3N3O3/c10-1-7(16)13-4-14(8(17)2-11)6-15(5-13)9(18)3-12/h1-6H2","","2022-11-21","2025-03-21","1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone","2025-03-26"],["7XF","(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid","C12 H19 N2 O7 P S","Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCS)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCS)C(=O)O)O","InChI=1S/C12H19N2O7PS/c1-7-11(15)9(5-14-10(2-3-23)12(16)17)8(4-13-7)6-21-22(18,19)20/h4,10,14-15,23H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1","","2017-02-03","2017-04-07","(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid","2017-04-12"],["R07","1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione","C24 H20 F3 N3 O3 S","C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C;C[CH](N1CN([CH]2c3ccccc3CSc4ccccc24)N5C=CC(=O)C(=C5C1=O)O)C(F)(F)F;CC(C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)C3c4ccccc4CSc5c3cccc5","InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1","RO-7","2017-05-11","2021-03-01","1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione","2018-04-11"],["7XG","2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide","C25 H30 F N5 O","c4cc(C)c(CN3CC(c1ccc(cc1)c2cnn(c2)CC(N)=O)C(C3)N(C)C)c(c4)F;CN(C)[CH]1CN(C[CH]1c2ccc(cc2)c3cnn(CC(N)=O)c3)Cc4c(C)cccc4F;Cc1cccc(c1CN2CC(C(C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F","InChI=1S/C25H30FN5O/c1-17-5-4-6-23(26)21(17)13-30-14-22(24(15-30)29(2)3)19-9-7-18(8-10-19)20-11-28-31(12-20)16-25(27)32/h4-12,22,24H,13-16H2,1-3H3,(H2,27,32)/t22-,24+/m1/s1","","2016-12-09","2017-03-10","2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide","2017-03-15"],["R08","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H20 Cl N5 O2","O=C(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)c1ccnn1C;Cn1nccc1C(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2;Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C24H20ClN5O2/c1-29-22(8-9-27-29)24(32)30-13-16-6-7-17(25)10-19(16)20(14-30)23(31)28-21-12-26-11-15-4-2-3-5-18(15)21/h2-12,20H,13-14H2,1H3,(H,28,31)/t20-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["7XH","~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide","C29 H37 F N6 O4 S","COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(CN4CCN(CC4)C(C)C)cc3F)N5CCOCC5;CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5","InChI=1S/C29H37FN6O4S/c1-21(2)35-10-8-34(9-11-35)20-22-4-5-25(26(30)16-22)27-17-23(6-7-31-27)33-41(37,38)28-18-24(19-32-29(28)39-3)36-12-14-40-15-13-36/h4-7,16-19,21H,8-15,20H2,1-3H3,(H,31,33)","","2021-09-09","2021-09-24","~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide","2021-09-29"],["R09","4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine","C28 H25 N3 O3 S","O=S(=O)(c5cc(c(c3nc(c(c2cc1ccc(OC)cc1cc2)n3C)c4ccncc4)cc5)C)C;COc1ccc2cc(ccc2c1)c3n(C)c(nc3c4ccncc4)c5ccc(cc5C)[S](C)(=O)=O;Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C","InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3","","2014-07-07","2015-07-17","4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine","2015-07-22"],["R0A","[(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid","C19 H19 F N4 O3","Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CC(=O)O;OC(=O)C[CH]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC(OC5(C4)CCC5)CC(=O)O","InChI=1S/C19H19FN4O3/c20-11-2-3-13-14(6-11)23-17-16(13)18(22-10-21-17)24-8-12(7-15(25)26)27-19(9-24)4-1-5-19/h2-3,6,10,12H,1,4-5,7-9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1","","2022-06-14","2022-07-01","[(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid","2022-07-06"],["7XI","2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine","C14 H12 Cl F2 N5 O","Nc1nc(Cl)nc2n(Cc3cccc(OCC(F)F)c3)cnc12;c1cc(cc(c1)OCC(F)F)Cn2cnc3c2nc(nc3N)Cl","InChI=1S/C14H12ClF2N5O/c15-14-20-12(18)11-13(21-14)22(7-19-11)5-8-2-1-3-9(4-8)23-6-10(16)17/h1-4,7,10H,5-6H2,(H2,18,20,21)","","2021-11-02","2022-10-28","9-[[3-[2,2-bis(fluoranyl)ethoxy]phenyl]methyl]-2-chloranyl-purin-6-amine","2022-11-02"],["7XJ","1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea","C17 H16 N4 O","Nc1nccc2cc(NC(=O)NCc3ccccc3)ccc12;c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N","InChI=1S/C17H16N4O/c18-16-15-7-6-14(10-13(15)8-9-19-16)21-17(22)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)(H2,20,21,22)","","2016-12-09","2017-06-16","1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea","2017-06-21"],["R0B","(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid","C12 H19 N O5 S","CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O;CCCCC1=C(NC(S1)C(C(C)O)C(=O)O)C(=O)O","InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1","hydrolyzed faropenem (ring-open form)","2020-08-24","2024-09-27","(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid","2021-02-24"],["R0C","(2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","C19 H21 N7 O2 S","CO[CH](C(=O)Nc1sc(N[CH]2CCN(C2)c3cccnn3)nn1)c4ccccc4;COC(c1ccccc1)C(=O)Nc2nnc(s2)NC3CCN(C3)c4cccnn4","InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1","","2022-11-21","2023-01-13","(2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","2023-01-18"],["7XK","N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C27 H40 N4 O6","O=C(OCc1ccccc1)NC(C1CC1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)C2CC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C2CC2)NC(=O)OCc3ccccc3","InChI=1S/C27H40N4O6/c1-27(2,3)14-21(24(34)29-20(15-32)13-19-11-12-28-23(19)33)30-25(35)22(18-9-10-18)31-26(36)37-16-17-7-5-4-6-8-17/h4-8,18-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22-/m0/s1","","2021-08-23","2024-09-27","N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-20"],["7XL","[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid","C11 H19 N3 O11 P2","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)CCO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(CCO)O)O)O","InChI=1S/C11H19N3O11P2/c12-7-1-2-14(11(18)13-7)10-9(17)8(16)6(24-10)5-23-27(21,22)25-26(19,20)4-3-15/h1-2,6,8-10,15-17H,3-5H2,(H,19,20)(H,21,22)(H2,12,13,18)/t6-,8-,9-,10-/m1/s1","","2017-02-06","2017-09-08","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid","2017-09-13"],["R0D","(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone","C21 H19 Cl N2 O3","C3CC2(c1cc(Cl)ccc1N=C2)CCN3C(C5COc4ccccc4O5)=O;Clc1ccc2N=CC3(CCN(CC3)C(=O)[CH]4COc5ccccc5O4)c2c1;c1ccc2c(c1)OCC(O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl","InChI=1S/C21H19ClN2O3/c22-14-5-6-16-15(11-14)21(13-23-16)7-9-24(10-8-21)20(25)19-12-26-17-3-1-2-4-18(17)27-19/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1","","2020-01-21","2020-03-13","(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone","2020-03-18"],["R0E","ProM-17","C14 H22 N2 O3","CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O;CC(C)CC1C=CC2CCNC2C(=O)N1CC(=O)O","InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1","2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid","2020-08-25","2024-09-27","2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid","2020-10-07"],["7XM","isoquinoline-1,6-diamine","C9 H9 N3","Nc1ccc2c(ccnc2N)c1;c1cc2c(ccnc2N)cc1N","InChI=1S/C9H9N3/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,10H2,(H2,11,12)","","2016-12-09","2017-06-16","isoquinoline-1,6-diamine","2017-06-21"],["R0F","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H21 Cl N4 O2","CNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C22H21ClN4O2/c1-24-21(28)13-27-11-15-6-7-16(23)8-18(15)19(12-27)22(29)26-20-10-25-9-14-4-2-3-5-17(14)20/h2-10,19H,11-13H2,1H3,(H,24,28)(H,26,29)/t19-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["7XN","5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide","C26 H33 N5 O4 S","COc1ncc(cc1[S](=O)(=O)Nc2cncc(c2)C#CCN3CCN(CC3)C(C)C)C4=CCOCC4;CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4","InChI=1S/C26H33N5O4S/c1-20(2)31-11-9-30(10-12-31)8-4-5-21-15-24(19-27-17-21)29-36(32,33)25-16-23(18-28-26(25)34-3)22-6-13-35-14-7-22/h6,15-20,29H,7-14H2,1-3H3","","2021-09-09","2021-09-24","5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide","2021-09-29"],["7XO","N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine","C25 H30 N8","CC(C)n1c(Nc2ccccc2)nc3cnc(Nc4ccc(cc4)N5CCN(C)CC5)nc13;CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5","InChI=1S/C25H30N8/c1-18(2)33-23-22(29-25(33)28-19-7-5-4-6-8-19)17-26-24(30-23)27-20-9-11-21(12-10-20)32-15-13-31(3)14-16-32/h4-12,17-18H,13-16H2,1-3H3,(H,28,29)(H,26,27,30)","","2017-02-06","2018-02-02","~{N}2-[4-(4-methylpiperazin-1-yl)phenyl]-~{N}8-phenyl-9-propan-2-yl-purine-2,8-diamine","2018-02-07"],["R0G","4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile","C21 H23 N3 O","c21c(cccc1)C(C(C2)N3CCCC(C3)N)Oc4ccc(cc4)C#N;N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4)C#N;c1ccc2c(c1)CC(C2Oc3ccc(cc3)C#N)N4CCCC(C4)N","InChI=1S/C21H23N3O/c22-13-15-7-9-18(10-8-15)25-21-19-6-2-1-4-16(19)12-20(21)24-11-3-5-17(23)14-24/h1-2,4,6-10,17,20-21H,3,5,11-12,14,23H2/t17-,20-,21-/m1/s1","","2020-01-21","2020-03-13","4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile","2020-03-18"],["R0H","methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate","C17 H17 F N4 O3","O=C(OC)C1(CCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12)CO;COC(=O)[C]1(CO)CCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23;COC(=O)C1(CCN(C1)c2c3c4ccc(cc4[nH]c3ncn2)F)CO","InChI=1S/C17H17FN4O3/c1-25-16(24)17(8-23)4-5-22(7-17)15-13-11-3-2-10(18)6-12(11)21-14(13)19-9-20-15/h2-3,6,9,23H,4-5,7-8H2,1H3,(H,19,20,21)/t17-/m1/s1","","2022-06-14","2022-07-01","methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate","2022-07-06"],["7XP","(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside","C17 H34 N4 O10","C3(C(O)C(N)C(OC2C(C(OC1C(O)C(C(CO1)O)N)C(CC2N)N)O)OC3CO)O;N[CH]1C[CH](N)[CH](O[CH]2OC[CH](O)[CH](N)[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N;C1C(C(C(C(C1N)OC2C(C(C(CO2)O)N)O)O)OC3C(C(C(C(O3)CO)O)O)N)N","InChI=1S/C17H34N4O10/c18-4-1-5(19)15(31-17-12(26)8(20)6(23)3-28-17)13(27)14(4)30-16-9(21)11(25)10(24)7(2-22)29-16/h4-17,22-27H,1-3,18-21H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13-,14+,15-,16+,17+/m0/s1","","2016-12-12","2017-10-27","(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside","2017-11-01"],["7XQ","(1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol","C12 H16 F N5 O3","Nc1ncnc2n(cnc12)[CH]3[CH](O)[CH](O)[CH](CCO)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(C3F)CCO)O)O)N","InChI=1S/C12H16FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-6,8-10,19-21H,1-2H2,(H2,14,15,16)/t5-,6+,8+,9+,10-/m0/s1","","2022-03-02","2022-08-05","(1~{R},2~{S},3~{S},4~{R},5~{R})-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol","2022-08-10"],["R0I","1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]","C24 H26 N7 Pt","Cn1c(c[n+](C)c1[Pt++]2(C)N3C(=CC=C4C=CC5=CC=C(C)N2C5=C34)C)c6[nH]nnc6.C=C;CC1=CC=C2C=CC3=CC=C(N4C3=C2N1[Pt+2]45(C=C5)(C)c6n(c(c[n+]6C)c7cnn[nH]7)C)C","InChI=1S/C14H12N2.C7H9N5.C2H2.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-11-4-7(12(2)5-11)6-3-8-10-9-6;1-2;;/h3-8H,1-2H3;3-4H,1-2H3,(H,8,9,10);1-2H;1H3;/q-2;+1;;;+4","","2022-11-21","2023-02-17","1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene]","2023-02-22"],["7XR","9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine","C27 H32 N8","CN1CCN(CC1)c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C6CCCC6)c4n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6","InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)","","2017-02-06","2018-02-02","9-cyclopentyl-~{N}2-[4-(4-methylpiperazin-1-yl)phenyl]-~{N}8-phenyl-purine-2,8-diamine","2018-02-07"],["KHY","(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol","C29 H28 Cl F6 N5 O2","c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl;COc1nc2ccc(cc2c(Cl)c1CN3CCC(CC3)C(F)(F)F)[C](O)(c4ccnc(c4)C(F)(F)F)c5cnc(C)n5C;Cc1ncc(n1C)C(c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O","InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1","","2018-12-10","2019-05-03","(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol","2019-05-08"],["7XS","4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine","C20 H25 N5 O2","N2(CC(Oc1ccc(OC)cc1)C2)c4ncnc3c4c(CC(C)C)nn3C;COc1ccc(OC2CN(C2)c3ncnc4n(C)nc(CC(C)C)c34)cc1;CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C","InChI=1S/C20H25N5O2/c1-13(2)9-17-18-19(24(3)23-17)21-12-22-20(18)25-10-16(11-25)27-15-7-5-14(26-4)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3","","2016-12-13","2017-06-23","4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine","2017-06-28"],["KHZ","1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane","C2 H6 N6","NNCc1[nH]nnn1;C(c1[nH]nnn1)NN","InChI=1S/C2H6N6/c3-4-1-2-5-7-8-6-2/h4H,1,3H2,(H,5,6,7,8)","","2019-05-22","2020-07-03","1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane","2020-07-08"],["KI0","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1S)-1-phenylethyl]quinazoline-2,4-dione","C25 H24 N2 O5","C[CH](N1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O)c4ccccc4;Cc1c(ccc2c1C(=O)N(C(=O)N2C)C(C)c3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C25H24N2O5/c1-14-17(23(30)22-19(28)10-7-11-20(22)29)12-13-18-21(14)24(31)27(25(32)26(18)3)15(2)16-8-5-4-6-9-16/h4-6,8-9,12-13,15,28H,7,10-11H2,1-3H3/t15-/m0/s1","","2022-09-21","2023-09-15","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1~{S})-1-phenylethyl]quinazoline-2,4-dione","2023-09-20"],["7XT","N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C28 H44 N4 O6","CC(C)C(C)(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)[C](C)(NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)C(C)(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2","InChI=1S/C28H44N4O6/c1-18(2)28(6,32-26(37)38-17-19-10-8-7-9-11-19)25(36)31-22(15-27(3,4)5)24(35)30-21(16-33)14-20-12-13-29-23(20)34/h7-11,18,20-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t20-,21-,22-,28-/m0/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-20"],["KI1","1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one","C15 H17 Cl F3 N O2 S","O=C(N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2)CCS;OC1(CCN(CC1)C(=O)CCS)c2ccc(Cl)c(c2)C(F)(F)F;c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl","InChI=1S/C15H17ClF3NO2S/c16-12-2-1-10(9-11(12)15(17,18)19)14(22)4-6-20(7-5-14)13(21)3-8-23/h1-2,9,22-23H,3-8H2","","2013-01-08","2024-09-27","1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one","2013-03-06"],["7XU","9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine","C28 H34 N8","CN1CCN(CC1)c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C6CCCCC6)c4n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6","InChI=1S/C28H34N8/c1-34-16-18-35(19-17-34)23-14-12-22(13-15-23)30-27-29-20-25-26(33-27)36(24-10-6-3-7-11-24)28(32-25)31-21-8-4-2-5-9-21/h2,4-5,8-9,12-15,20,24H,3,6-7,10-11,16-19H2,1H3,(H,31,32)(H,29,30,33)","","2017-02-06","2018-02-02","9-cyclohexyl-~{N}2-[4-(4-methylpiperazin-1-yl)phenyl]-~{N}8-phenyl-purine-2,8-diamine","2018-02-07"],["KI2","3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID","C18 H19 N O5","O=C(O)C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2;O[CH]([CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O;c1ccc(cc1)CC(C(C(=O)O)O)NC(=O)OCc2ccccc2","InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1","","2002-12-23","2024-09-27","(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid",""],["7XV","5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine","C18 H22 N4 O2","n12c(cncc1nnc2CC(C)C)OCCc3ccccc3OC;COc1ccccc1CCOc2cncc3nnc(CC(C)C)n23;CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC","InChI=1S/C18H22N4O2/c1-13(2)10-16-20-21-17-11-19-12-18(22(16)17)24-9-8-14-6-4-5-7-15(14)23-3/h4-7,11-13H,8-10H2,1-3H3","","2016-12-13","2017-06-23","5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine","2017-06-28"],["7XW","N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide","C17 H18 N2 O4 S","COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3;COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3","InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3","N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide","2021-09-13","2022-08-22","~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide","2021-09-29"],["KI3","3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol","C15 H12 N2 O2 S","Oc1nc2c(c(c1)C)c(c(s2)C(c3ccccc3)=O)N;Cc1cc(O)nc2sc(c(N)c12)C(=O)c3ccccc3;Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O","InChI=1S/C15H12N2O2S/c1-8-7-10(18)17-15-11(8)12(16)14(20-15)13(19)9-5-3-2-4-6-9/h2-7H,16H2,1H3,(H,17,18)","","2016-01-27","2016-02-19","(3-amino-6-hydroxy-4-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone","2016-02-24"],["KI4","N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide","C22 H18 N8 O","Cn1cc(c(Nc2cncnc2)n1)C(=O)Nc1cc(ccc1)c1cn2ccccc2n1;Cn1cc(C(=O)Nc2cccc(c2)c3cn4ccccc4n3)c(Nc5cncnc5)n1;Cn1cc(c(n1)Nc2cncnc2)C(=O)Nc3cccc(c3)c4cn5ccccc5n4","InChI=1S/C22H18N8O/c1-29-12-18(21(28-29)25-17-10-23-14-24-11-17)22(31)26-16-6-4-5-15(9-16)19-13-30-8-3-2-7-20(30)27-19/h2-14H,1H3,(H,25,28)(H,26,31)","","2022-02-03","2022-10-07","N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide","2022-10-12"],["7XX","4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide","C13 H10 Cl2 N2 O2","Cn1cc(cc1C(N)=O)C(=O)c2cccc(Cl)c2Cl;Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl","InChI=1S/C13H10Cl2N2O2/c1-17-6-7(5-10(17)13(16)19)12(18)8-3-2-4-9(14)11(8)15/h2-6H,1H3,(H2,16,19)","","2017-02-07","2017-05-26","4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide","2017-05-31"],["KI5","2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL","C8 H12 N2 O S","S(c1nc(cc(n1)C)C)CCO;Cc1cc(C)nc(SCCO)n1;Cc1cc(nc(n1)SCCO)C","InChI=1S/C8H12N2OS/c1-6-5-7(2)10-8(9-6)12-4-3-11/h5,11H,3-4H2,1-2H3","","2014-08-05","2015-09-25","2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethanol","2015-09-30"],["7XY","{(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENYLPROPYL)AMINO]SULFONYL}-2-THIENYL)METHYL]AMINO}(OXO)ACETIC ACID","C29 H27 Cl N2 O5 S2","O=S(=O)(c1sc(cc1)CN(C(=O)C(=O)O)Cc2cccc(Cl)c2)NCCC(c3ccccc3)c4ccccc4;OC(=O)C(=O)N(Cc1sc(cc1)[S](=O)(=O)NCCC(c2ccccc2)c3ccccc3)Cc4cccc(Cl)c4;c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4","InChI=1S/C29H27ClN2O5S2/c30-24-13-7-8-21(18-24)19-32(28(33)29(34)35)20-25-14-15-27(38-25)39(36,37)31-17-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,18,26,31H,16-17,19-20H2,(H,34,35)","","2007-03-26","2011-06-04","[(3-chlorobenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]thiophen-2-yl}methyl)amino](oxo)acetic acid",""],["KI7","3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine","C22 H20 F2 N4 O7 S2","COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccc(O[S](F)(=O)=O)cc4)cc(C)nc23;Cc1cc(n2c(n1)c(c(n2)C)c3ccc(c(c3)OS(=O)(=O)F)OC)NCc4ccc(cc4)OS(=O)(=O)F","InChI=1S/C22H20F2N4O7S2/c1-13-10-20(25-12-15-4-7-17(8-5-15)34-36(23,29)30)28-22(26-13)21(14(2)27-28)16-6-9-18(33-3)19(11-16)35-37(24,31)32/h4-11,25H,12H2,1-3H3","","2023-08-14","2024-09-27","3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine","2023-12-13"],["7XZ","2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid","C18 H19 N O8","COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C;CC1=C(C(=O)Oc2c1ccc(c2)OC)CCC(=O)N(CC(=O)O)CC(=O)O","InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24)","ZINC2104681","2023-03-15","2023-12-29","2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid","2024-01-03"],["KI8","[4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone","C24 H24 N4 O2 S","COc1ccccc1N1CCN(CC1)C(=O)c1cc2c(C)nn(c3ccccc3)c2s1;COc1ccccc1N2CCN(CC2)C(=O)c3sc4n(nc(C)c4c3)c5ccccc5;Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)N4CCN(CC4)c5ccccc5OC","InChI=1S/C24H24N4O2S/c1-17-19-16-22(31-24(19)28(25-17)18-8-4-3-5-9-18)23(29)27-14-12-26(13-15-27)20-10-6-7-11-21(20)30-2/h3-11,16H,12-15H2,1-2H3","","2022-02-03","2022-10-07","[4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone","2022-10-12"],["7Y0","4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide","C28 H22 Cl4 N4 O4","Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(Cl)c3Cl)C(=O)c4cccc(Cl)c4Cl;Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl","InChI=1S/C28H22Cl4N4O4/c1-35-13-15(25(37)17-5-3-7-19(29)23(17)31)11-21(35)27(39)33-9-10-34-28(40)22-12-16(14-36(22)2)26(38)18-6-4-8-20(30)24(18)32/h3-8,11-14H,9-10H2,1-2H3,(H,33,39)(H,34,40)","","2017-02-07","2017-05-26","4-[2,3-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide","2017-05-31"],["KI9","2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL","C12 H4 Cl5 N O","Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3;Oc1c(Cl)c(Cl)c(Cl)c2c1[nH]c3c(Cl)cc(Cl)cc23;c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl","InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H","","2010-03-19","2011-06-04","2,3,4,6,8-pentachloro-9H-carbazol-1-ol",""],["7Y1","3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine","C20 H22 N6 O","n12c(nnc1cncc2OCCC)c3cnn(C)c3c4ccc(cc4)CC;CCCOc1cncc2nnc(n12)c3cnn(C)c3c4ccc(CC)cc4;CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C","InChI=1S/C20H22N6O/c1-4-10-27-18-13-21-12-17-23-24-20(26(17)18)16-11-22-25(3)19(16)15-8-6-14(5-2)7-9-15/h6-9,11-13H,4-5,10H2,1-3H3","","2016-12-13","2017-06-23","3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine","2017-06-28"],["7Y2","N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","C26 H40 N4 O6","O=C(OCc1ccccc1)NC(C)(C)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)C[CH](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C)(C)NC(=O)OCc2ccccc2","InChI=1S/C26H40N4O6/c1-25(2,3)14-20(22(33)28-19(15-31)13-18-11-12-27-21(18)32)29-23(34)26(4,5)30-24(35)36-16-17-9-7-6-8-10-17/h6-10,18-20,31H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t18-,19-,20-/m0/s1","","2021-08-23","2024-09-27","N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide","2022-07-20"],["KIA","2,6-dimethoxycyclohexa-2,5-diene-1,4-dione","C8 H8 O4","O=C1C(OC)=CC(=O)C=C1OC;COC1=CC(=O)C=C(OC)C1=O;COC1=CC(=O)C=C(C1=O)OC","InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3","2,6-dimethoxy-p-benzoquinone","2009-01-19","2021-03-13","2,6-dimethoxycyclohexa-2,5-diene-1,4-dione",""],["7Y3","1-(5-bromanylthiophen-2-yl)sulfonylpyrazole","C7 H5 Br N2 O2 S2","Brc1sc(cc1)[S](=O)(=O)n2cccn2;c1cnn(c1)S(=O)(=O)c2ccc(s2)Br","InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H","","2017-02-08","2018-01-19","1-(5-bromanylthiophen-2-yl)sulfonylpyrazole","2018-01-24"],["KIB","2,6-dimethoxybenzene-1,4-diol","C8 H10 O4","O(c1cc(O)cc(OC)c1O)C;COc1cc(O)cc(OC)c1O;COc1cc(cc(c1O)OC)O","InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3","","2009-01-19","2011-06-04","2,6-dimethoxybenzene-1,4-diol",""],["7Y4","(3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine","C24 H30 N8","c1c(ccc(c1)c2c(cnn2C)c3c4c(n(C)n3)ncnc4N5CCC(C5)N(C)C)CC;CCc1ccc(cc1)c2n(C)ncc2c3nn(C)c4ncnc(N5CC[CH](C5)N(C)C)c34;CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CCC(C5)N(C)C)n(n3)C","InChI=1S/C24H30N8/c1-6-16-7-9-17(10-8-16)22-19(13-27-30(22)4)21-20-23(31(5)28-21)25-15-26-24(20)32-12-11-18(14-32)29(2)3/h7-10,13,15,18H,6,11-12,14H2,1-5H3/t18-/m1/s1","","2016-12-13","2017-06-23","(3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine","2017-06-28"],["KIC","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","C28 H35 N13 O9","NCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)CC(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)CCN)O)O)N)CC(=O)O)O)O)N","InChI=1S/C28H35N13O9/c29-4-3-15(42)32-6-12-19(45)22(48)28(49-12)41-14(38-18-24(31)34-10-36-26(18)41)2-1-5-39(8-16(43)44)7-13-20(46)21(47)27(50-13)40-11-37-17-23(30)33-9-35-25(17)40/h9-13,19-22,27-28,45-48H,3-8,29H2,(H,32,42)(H,43,44)(H2,30,33,35)(H2,31,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1","","2022-05-25","2023-01-06","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","2023-01-11"],["KID","2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one","C20 H23 Cl2 N5 O","CN1C(=O)c2n(ccc2c3cccc(Cl)c3Cl)N=C1N4CCC(C)(CN)CC4;CC1(CCN(CC1)C2=Nn3ccc(c3C(=O)N2C)c4cccc(c4Cl)Cl)CN","InChI=1S/C20H23Cl2N5O/c1-20(12-23)7-10-26(11-8-20)19-24-27-9-6-14(17(27)18(28)25(19)2)13-4-3-5-15(21)16(13)22/h3-6,9H,7-8,10-12,23H2,1-2H3","","2022-09-21","2023-09-15","2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one","2023-09-20"],["7Y5","Selatogrel","C28 H39 N6 O8 P","CCCCOC(=O)N1CCN(CC1)C(=O)[CH](C[P](O)(O)=O)NC(=O)c2cc(nc(n2)c3ccccc3)N4CC[CH](C4)OC;CCCCOC(=O)N1CCN(CC1)C(=O)C(CP(=O)(O)O)NC(=O)c2cc(nc(n2)c3ccccc3)N4CCC(C4)OC","InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1","[(2~{R})-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3~{S})-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid; [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid; 4-((R)-2-((6-((S)-3-Methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-phosphonopropionyl)piperazine-1-carboxylic acid butyl ester","2021-09-14","2022-10-28","[(2~{R})-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3~{S})-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid","2022-11-02"],["KIE","N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine","C14 H14 F N5 S","Fc1ccc(cc1)Sc1nc(nc2nc[NH]c12)N(C)CC;CCN(C)c1nc(Sc2ccc(F)cc2)c3[nH]cnc3n1;CCN(C)c1nc2c(c(n1)Sc3ccc(cc3)F)[nH]cn2","InChI=1S/C14H14FN5S/c1-3-20(2)14-18-12-11(16-8-17-12)13(19-14)21-10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3,(H,16,17,18,19)","","2022-02-03","2022-10-07","N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine","2022-10-12"],["7Y6","4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide","C21 H24 Cl N3 O3","Clc3cc(OC1CCNCC1)c(C(=O)NC(=[N@H])Cc2cccc(OC)c2)cc3;COc1cccc(CC(=N)NC(=O)c2ccc(Cl)cc2OC3CCNCC3)c1;COc1cccc(c1)CC(=N)NC(=O)c2ccc(cc2OC3CCNCC3)Cl","InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-6-5-15(22)13-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)","","2013-10-10","2016-01-29","4-chloro-N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide","2016-02-03"],["7Y7","5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide","C26 H21 N7 O4","Oc1n(ncc1C(=O)Nc2ccc3N=CNC(=O)c3c2)c4cccc(CNC(=O)Nc5ccccc5)c4;c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O","InChI=1S/C26H21N7O4/c34-23-20-12-18(9-10-22(20)28-15-29-23)31-24(35)21-14-30-33(25(21)36)19-8-4-5-16(11-19)13-27-26(37)32-17-6-2-1-3-7-17/h1-12,14-15,36H,13H2,(H,31,35)(H2,27,32,37)(H,28,29,34)","","2016-12-13","2017-06-16","5-oxidanyl-~{N}-(4-oxidanylidene-3~{H}-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide","2017-06-21"],["KIF","KIFUNENSINE","C8 H12 N2 O6","O=C1C(=O)NC2N1C(C(O)C(O)C2O)CO;OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2NC(=O)C(=O)N12;C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O","InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1","","2000-10-11","2011-06-04","(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione",""],["7Y8","3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol","C9 H13 N O2","C[CH](N)[CH](O)c1cccc(O)c1;CC(C(c1cccc(c1)O)O)N","InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9?/m1/s1","","2021-11-02","2025-03-21","3-[(2~{R})-2-azanyl-1-oxidanyl-propyl]phenol","2025-03-26"],["KIG","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","C27 H35 N13 O10 S","NCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)CC(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNS(=O)(=O)CCN)O)O)N)CC(=O)O)O)O)N","InChI=1S/C27H35N13O10S/c28-3-5-51(47,48)36-6-12-18(43)21(46)27(49-12)40-14(37-17-23(30)32-10-34-25(17)40)2-1-4-38(8-15(41)42)7-13-19(44)20(45)26(50-13)39-11-35-16-22(29)31-9-33-24(16)39/h9-13,18-21,26-27,36,43-46H,3-8,28H2,(H,41,42)(H2,29,31,33)(H2,30,32,34)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1","","2022-05-25","2023-01-06","2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid","2023-01-11"],["KIH","3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine","C23 H23 F N4 O5 S","COc1ccc(cc1OC)c2c(C)nn3c(NCc4ccc(O[S](F)(=O)=O)cc4)cc(C)nc23;Cc1cc(n2c(n1)c(c(n2)C)c3ccc(c(c3)OC)OC)NCc4ccc(cc4)OS(=O)(=O)F","InChI=1S/C23H23FN4O5S/c1-14-11-21(25-13-16-5-8-18(9-6-16)33-34(24,29)30)28-23(26-14)22(15(2)27-28)17-7-10-19(31-3)20(12-17)32-4/h5-12,25H,13H2,1-4H3","","2023-08-14","2024-09-27","3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine","2023-12-13"],["7Y9","4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide","C30 H30 N2 O3","CC(C)(c1ccc(O)cc1)c2ccc(OCc3cccc(COc4ccc(cc4)C(N)=N)c3)cc2;CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCc3cccc(c3)COc4ccc(cc4)C(=N)N","InChI=1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)","","2017-02-09","2017-12-29","4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide","2018-01-03"],["7YA","(2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide","C20 H19 N5 O3","C[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3;CC(C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O","InChI=1S/C20H19N5O3/c1-12(26)19(27)22-9-13-3-2-4-15(7-13)25-20(28)16(11-23-25)18-8-14-10-21-6-5-17(14)24-18/h2-8,10-12,24,26,28H,9H2,1H3,(H,22,27)/t12-/m0/s1","","2016-12-13","2017-06-16","(2~{S})-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide","2017-06-21"],["KII","1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide","C19 H17 N7 O","Cn1nc(cc1NC(=O)c1nn(C)cc1c1ccncc1)c1ncccc1;Cn1cc(c2ccncc2)c(n1)C(=O)Nc3cc(nn3C)c4ccccn4;Cn1cc(c(n1)C(=O)Nc2cc(nn2C)c3ccccn3)c4ccncc4","InChI=1S/C19H17N7O/c1-25-12-14(13-6-9-20-10-7-13)18(24-25)19(27)22-17-11-16(23-26(17)2)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,22,27)","","2022-02-03","2022-10-07","1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide","2022-10-12"],["KIJ","3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid","C13 H9 N O7","[O-][N+](=O)c2cccc(Oc1cc(cc(O)c1O)C(=O)O)c2;OC(=O)c1cc(O)c(O)c(Oc2cccc(c2)[N+]([O-])=O)c1;c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-]","InChI=1S/C13H9NO7/c15-10-4-7(13(17)18)5-11(12(10)16)21-9-3-1-2-8(6-9)14(19)20/h1-6,15-16H,(H,17,18)","","2013-05-09","2014-05-09","3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid","2014-05-14"],["7YB","benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate","C28 H40 N4 O6","O=C(OCc1ccccc1)NC1(CC1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)C3(CC3)NC(=O)OCc4ccccc4;c1ccc(cc1)COC(=O)NC2(CC2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCNC4=O)CO","InChI=1S/C28H40N4O6/c33-17-22(16-21-11-14-29-24(21)34)30-25(35)23(15-19-7-3-1-4-8-19)31-26(36)28(12-13-28)32-27(37)38-18-20-9-5-2-6-10-20/h2,5-6,9-10,19,21-23,33H,1,3-4,7-8,11-18H2,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t21-,22-,23-/m0/s1","","2021-08-23","2024-09-27","benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate","2022-07-20"],["7YC","(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile","C14 H13 N3 O6","Oc1cc(C=C(C#N)C(=O)N2CCCOC2)cc(c1O)[N+]([O-])=O;c1c(cc(c(c1[N+](=O)[O-])O)O)C=C(C#N)C(=O)N2CCCOC2","InChI=1S/C14H13N3O6/c15-7-10(14(20)16-2-1-3-23-8-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,1-3,8H2/b10-4+","","2017-02-09","2019-06-14","(~{E})-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile","2019-06-19"],["KIK","(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one","C5 H9 N O2","N[CH](CO)C(=O)C=C;C=CC(=O)C(CO)N","InChI=1S/C5H9NO2/c1-2-5(8)4(6)3-7/h2,4,7H,1,3,6H2/t4-/m0/s1","","2016-08-23","2024-09-27","(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one","2017-01-18"],["KIM","N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine","C22 H24 N6 O3","O(c1cc(cc(OC)c1OC)Nc2nccc(n2)N(c3ccc4c(c3)nnc4C)C)C;COc1cc(Nc2nccc(n2)N(C)c3ccc4c([nH]nc4C)c3)cc(OC)c1OC;Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC","InChI=1S/C22H24N6O3/c1-13-16-7-6-15(12-17(16)27-26-13)28(2)20-8-9-23-22(25-20)24-14-10-18(29-3)21(31-5)19(11-14)30-4/h6-12H,1-5H3,(H,26,27)(H,23,24,25)","","2008-03-13","2011-06-04","N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",""],["7YE","N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","C28 H21 F3 N6 O2","FC(F)(F)[C]1(CC(=NNC1=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)c5cccc6ncccc56;c1cc(c2cccnc2c1)C3(CC(=NNC3=O)c4ccc(cc4)NC(=O)N5Cc6ccncc6C5)C(F)(F)F","InChI=1S/C28H21F3N6O2/c29-28(30,31)27(22-4-1-5-23-21(22)3-2-11-33-23)13-24(35-36-25(27)38)17-6-8-20(9-7-17)34-26(39)37-15-18-10-12-32-14-19(18)16-37/h1-12,14H,13,15-16H2,(H,34,39)(H,36,38)/t27-/m1/s1","N-[4-[(5R)-6-oxo-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","2021-09-15","2022-08-22","~{N}-[4-[(5~{R})-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","2022-06-15"],["KIN","1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA","C19 H14 F3 N3 O2","FC(F)(F)c1cccc(c1)NC(=O)Nc3ccc(Oc2ccncc2)cc3;FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1;c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F","InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)","","2006-08-10","2011-06-04","1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea",""],["7YF","(2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide","C13 H20 N6 O4","NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1NC(=O)C=C1)C=O;C1=CC(=O)NC1C(=O)NCC(=O)NC(CCCNC(=N)N)C=O","InChI=1S/C13H20N6O4/c14-13(15)16-5-1-2-8(7-20)18-11(22)6-17-12(23)9-3-4-10(21)19-9/h3-4,7-9H,1-2,5-6H2,(H,17,23)(H,18,22)(H,19,21)(H4,14,15,16)/t8-,9+/m0/s1","","2017-02-14","2018-07-06","(2~{R})-~{N}-[2-[[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide","2018-07-11"],["7YG","3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE","C20 H23 N7 O3 S","O=C(c1nc(cnc1N)c2ccc(cc2)S(=O)(=O)NCCN(C)C)Nc3cccnc3;CN(C)CCN[S](=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3cccnc3;CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N","InChI=1S/C20H23N7O3S/c1-27(2)11-10-24-31(29,30)16-7-5-14(6-8-16)17-13-23-19(21)18(26-17)20(28)25-15-4-3-9-22-12-15/h3-9,12-13,24H,10-11H2,1-2H3,(H2,21,23)(H,25,28)","","2011-12-14","2014-09-05","3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-N-(pyridin-3-yl)pyrazine-2-carboxamide",""],["KIO","(1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione","C27 H31 N13 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)CNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNC(=O)CNC(=O)C4)O)O)N)O)O)N","InChI=1S/C27H31N13O8/c28-22-16-24(34-8-32-22)39(10-36-16)26-20(45)19(44)12(48-26)6-38-3-1-2-13-37-17-23(29)33-9-35-25(17)40(13)27-21(46)18(43)11(47-27)4-30-14(41)5-31-15(42)7-38/h8-12,18-21,26-27,43-46H,3-7H2,(H,30,41)(H,31,42)(H2,28,32,34)(H2,29,33,35)/t11-,12-,18-,19-,20-,21-,26-,27-/m1/s1","","2022-05-25","2023-01-06","(1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione","2023-01-11"],["7YH","2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","C29 H49 Br I N O8 P","CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)c1cc(Br)cc(I)c1;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br","InChI=1S/C29H48BrINO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-28(33)37-22-27(23-39-41(35,36)38-18-17-32(2,3)4)40-29(34)24-19-25(30)21-26(31)20-24/h19-21,27H,5-18,22-23H2,1-4H3/p+1/t27-/m1/s1","","2021-11-02","2022-02-11","2-[[(2~{R})-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","2022-02-16"],["KIP","[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate","C24 H51 N O7 P","CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m1/s1","","2022-09-22","2023-02-03","2-[[(2~{R})-3-hexadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","2023-02-08"],["7YI","benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate","C26 H36 N4 O6","O=C(OCc1ccccc1)NC(C1CC1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)NC(=O)[CH](NC(=O)OCc3ccccc3)C4CC4;c1ccc(cc1)COC(=O)NC(C2CC2)C(=O)NC(CC3CC3)C(=O)NC(CC4CCNC4=O)CO","InChI=1S/C26H36N4O6/c31-14-20(13-19-10-11-27-23(19)32)28-24(33)21(12-16-6-7-16)29-25(34)22(18-8-9-18)30-26(35)36-15-17-4-2-1-3-5-17/h1-5,16,18-22,31H,6-15H2,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1","","2021-08-23","2024-09-27","benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate","2022-07-20"],["KIQ","(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE","C19 H17 F6 N5 O","Fc1cc(c(F)cc1F)C2C(N)CC(=CC2)C(=O)N4Cc3nnc(n3CC4)C(F)(F)F;N[CH]1CC(=CC[CH]1c2cc(F)c(F)cc2F)C(=O)N3CCn4c(C3)nnc4C(F)(F)F;c1c(c(cc(c1F)F)F)C2CC=C(CC2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3","InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1","","2006-09-05","2011-06-04","(1S,6R)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine",""],["7YJ","(2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide","C22 H23 N5 O3","CC(C)[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3;CC(C)C(C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O","InChI=1S/C22H23N5O3/c1-13(2)20(28)21(29)24-10-14-4-3-5-16(8-14)27-22(30)17(12-25-27)19-9-15-11-23-7-6-18(15)26-19/h3-9,11-13,20,26,28,30H,10H2,1-2H3,(H,24,29)/t20-/m1/s1","","2016-12-13","2017-06-16","(2~{R})-3-methyl-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]butanamide","2017-06-21"],["KIR","KIRROMYCIN","C43 H60 N2 O12","O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C;CC[CH](C(=O)NCC=CC=C(C)[CH](OC)[CH](C)[CH]1O[CH](C=CC=CC=C(C)C(=O)C2=C(O)C=CNC2=O)[CH](O)[CH]1O)[C]3(O)O[CH](C=CC=CC)C(C)(C)[CH](O)[CH]3O;CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CNC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O","InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1","MOCIMYCIN; DELVOMYCIN; MYC-8003","2002-04-10","2020-06-17","(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name)",""],["7YK","N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","C24 H27 N5 O3","C[CH]1CC(=O)N(N=C1c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C5CCOCC5;CC1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4ccncc4C3)C5CCOCC5","InChI=1S/C24H27N5O3/c1-16-12-22(30)29(21-7-10-32-11-8-21)27-23(16)17-2-4-20(5-3-17)26-24(31)28-14-18-6-9-25-13-19(18)15-28/h2-6,9,13,16,21H,7-8,10-12,14-15H2,1H3,(H,26,31)/t16-/m1/s1","","2021-09-15","2022-08-22","~{N}-[4-[(4~{R})-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","2022-06-15"],["KIS","diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate)","C26 H26 N4 O5","O=C(OCC)c1ncn(c1C)c1cccc(c1)Oc1cccc(c1)n1cnc(c1C)C(=O)OCC;CCOC(=O)c1ncn(c1C)c2cccc(Oc3cccc(c3)n4cnc(C(=O)OCC)c4C)c2;CCOC(=O)c1c(n(cn1)c2cccc(c2)Oc3cccc(c3)n4cnc(c4C)C(=O)OCC)C","InChI=1S/C26H26N4O5/c1-5-33-25(31)23-17(3)29(15-27-23)19-9-7-11-21(13-19)35-22-12-8-10-20(14-22)30-16-28-24(18(30)4)26(32)34-6-2/h7-16H,5-6H2,1-4H3","","2022-02-03","2022-10-07","diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate)","2022-10-12"],["7YL","(2R)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid","C5 H5 N O3","OC(=O)[CH]1NC(=O)C=C1;C1=CC(=O)NC1C(=O)O","InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m1/s1","","2017-02-14","2018-07-06","(2~{R})-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid","2018-07-11"],["KIT","(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione","C28 H33 N13 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNC(=O)CCNC(=O)C4)O)O)N)O)O)N","InChI=1S/C28H33N13O8/c29-23-17-25(35-9-33-23)40(11-37-17)27-21(46)20(45)13(49-27)7-39-5-1-2-14-38-18-24(30)34-10-36-26(18)41(14)28-22(47)19(44)12(48-28)6-32-15(42)3-4-31-16(43)8-39/h9-13,19-22,27-28,44-47H,3-8H2,(H,31,43)(H,32,42)(H2,29,33,35)(H2,30,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1","","2022-05-25","2023-01-06","(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione","2023-01-11"],["7YM","N-(2-amino-1H-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide","C24 H23 N9 O4","Cc1onc(C)c1NC(=O)NCc2cccc(c2)n3ncc(C(=O)Nc4ccc5nc(N)[nH]c5c4)c3O;Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O","InChI=1S/C24H23N9O4/c1-12-20(13(2)37-32-12)31-24(36)26-10-14-4-3-5-16(8-14)33-22(35)17(11-27-33)21(34)28-15-6-7-18-19(9-15)30-23(25)29-18/h3-9,11,35H,10H2,1-2H3,(H,28,34)(H3,25,29,30)(H2,26,31,36)","","2016-12-13","2017-06-16","~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-oxidanyl-pyrazole-4-carboxamide","2017-06-21"],["KIU","5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid","C15 H11 N O7","[O-][N+](=O)c1cccc(c1)COc2cc(cc(c2)C(=O)O)C(=O)O;OC(=O)c1cc(OCc2cccc(c2)[N+]([O-])=O)cc(c1)C(O)=O;c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O","InChI=1S/C15H11NO7/c17-14(18)10-5-11(15(19)20)7-13(6-10)23-8-9-2-1-3-12(4-9)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)","","2013-05-09","2014-05-09","5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid","2014-05-14"],["7YN","1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea","C20 H22 N2 O5 S","CC(C)(O)c1coc(c1)[S](=O)(=O)NC(=O)Nc2c3CCCc3cc4C=CCc24;CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O","InChI=1S/C20H22N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h3,5,9-11,24H,4,6-8H2,1-2H3,(H2,21,22,23)","","2021-11-02","2022-03-04","1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea","2022-03-09"],["KIV","3-METHYL-2-OXOBUTANOIC ACID","C5 H8 O3","O=C(C(=O)O)C(C)C;CC(C)C(=O)C(O)=O;CC(C)C(=O)C(=O)O","InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)","ALPHA-KETOISOVALERIC ACID; KETOVALINE","2001-01-16","2020-06-17","3-methyl-2-oxobutanoic acid",""],["KIW","5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid","C15 H12 N2 O6","[O-][N+](=O)c1cccc(c1)CNc2cc(cc(c2)C(=O)O)C(=O)O;OC(=O)c1cc(NCc2cccc(c2)[N+]([O-])=O)cc(c1)C(O)=O;c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O","InChI=1S/C15H12N2O6/c18-14(19)10-5-11(15(20)21)7-12(6-10)16-8-9-2-1-3-13(4-9)17(22)23/h1-7,16H,8H2,(H,18,19)(H,20,21)","","2013-05-09","2014-05-09","5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid","2014-05-14"],["7YO","(2R)-5-oxidanylidenepyrrolidine-2-carboxylic acid","C5 H7 N O3","OC(=O)[CH]1CCC(=O)N1;C1CC(=O)NC1C(=O)O","InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1","","2017-02-15","2024-10-23","(2~{R})-5-oxidanylidenepyrrolidine-2-carboxylic acid","2018-07-11"],["7YP","(2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami\nde","C19 H23 N3 O5","CO[CH](C(=O)NCc1ccc(CN)cc1OCC(N)=O)c2ccc(O)cc2;COC(c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN","InChI=1S/C19H23N3O5/c1-26-18(13-4-6-15(23)7-5-13)19(25)22-10-14-3-2-12(9-20)8-16(14)27-11-17(21)24/h2-8,18,23H,9-11,20H2,1H3,(H2,21,24)(H,22,25)/t18-/m0/s1","N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide","2016-12-13","2020-06-17","(2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanamide","2017-06-21"],["KIX","1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine","C8 H10 B O3","O[B]1(O)OCCc2ccccc12;B1(c2ccccc2CCO1)(O)O","InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2","3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol","2023-08-14","2024-08-16","1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine","2024-08-21"],["KIY","7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline","C17 H21 N3 O","Cc1nc2cc(OCC3CC3)ccc2c(n1)N1CCCC1;Cc1nc2cc(OCC3CC3)ccc2c(n1)N4CCCC4;Cc1nc2cc(ccc2c(n1)N3CCCC3)OCC4CC4","InChI=1S/C17H21N3O/c1-12-18-16-10-14(21-11-13-4-5-13)6-7-15(16)17(19-12)20-8-2-3-9-20/h6-7,10,13H,2-5,8-9,11H2,1H3","","2022-02-03","2022-10-07","7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline","2022-10-12"],["7YQ","O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C32 H49 Cl N4 O7","CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1cccc(Cl)c1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3cccc(c3)Cl)OC(C)(C)C","InChI=1S/C32H49ClN4O7/c1-20(44-32(2,3)4)27(37-31(42)43-19-22-11-8-12-24(33)15-22)30(41)36-26(16-21-9-6-5-7-10-21)29(40)35-25(18-38)17-23-13-14-34-28(23)39/h8,11-12,15,20-21,23,25-27,38H,5-7,9-10,13-14,16-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t20-,23+,25+,26+,27+/m1/s1","","2021-08-23","2024-09-27","O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2022-07-20"],["7YR","5-oxo-D-prolylglycyl-N-(4-nitrophenyl)-L-argininamide","C19 H26 N8 O6","O=C1CCC(N1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1ccc(cc1)[N+]([O-])=O;NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1CCC(=O)N1)C(=O)Nc2ccc(cc2)[N+]([O-])=O;c1cc(ccc1NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C2CCC(=O)N2)[N+](=O)[O-]","InChI=1S/C19H26N8O6/c20-19(21)22-9-1-2-13(18(31)24-11-3-5-12(6-4-11)27(32)33)26-16(29)10-23-17(30)14-7-8-15(28)25-14/h3-6,13-14H,1-2,7-10H2,(H,23,30)(H,24,31)(H,25,28)(H,26,29)(H4,20,21,22)/t13-,14+/m0/s1","","2017-02-15","2026-04-03","5-oxo-D-prolylglycyl-N-(4-nitrophenyl)-L-argininamide","2018-07-11"],["KIZ","[(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium","C11 H16 F N2 O","CN(C)C(=O)[CH]([NH3+])Cc1ccc(F)cc1;CN(C)C(=O)C(Cc1ccc(cc1)F)[NH3+]","InChI=1S/C11H15FN2O/c1-14(2)11(15)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,7,13H2,1-2H3/p+1/t10-/m1/s1","","2022-05-26","2022-09-16","[(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium","2022-09-21"],["KJ0","N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide","C30 H40 N4 O6","O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5;c1ccc2c(c1)cc(o2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCCNC4=O)C(C(=O)NC5CC5)O","InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26-/m0/s1","","2022-09-22","2024-09-27","~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{S})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide","2023-09-20"],["7YS","(10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one","C21 H22 Cl F N6 O3","n2cc3c1c(nn(CCO)c1CN(C)C(c4c(C(Oc(c2N)n3)C)c(c(cc4)F)Cl)=O)C;C[CH]1Oc2nc(cnc2N)c3c(C)nn(CCO)c3CN(C)C(=O)c4ccc(F)c(Cl)c14;Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3C(Oc4c(ncc2n4)N)C)Cl)F)C","InChI=1S/C21H22ClFN6O3/c1-10-16-14-8-25-19(24)20(26-14)32-11(2)17-12(4-5-13(23)18(17)22)21(31)28(3)9-15(16)29(27-10)6-7-30/h4-5,8,11,30H,6-7,9H2,1-3H3,(H2,24,25)/t11-/m1/s1","","2016-12-13","2017-07-21","(10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one","2017-07-26"],["KJ1","N-(8-amino-8-oxooctyl)nonanamide","C17 H34 N2 O2","C(CNC(CCCCCCCC)=O)CCCCCC(=O)N;CCCCCCCCC(=O)NCCCCCCCC(N)=O;CCCCCCCCC(=O)NCCCCCCCC(=O)N","InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21)","","2018-12-10","2019-11-15","N-(8-amino-8-oxooctyl)nonanamide","2019-11-20"],["7YT","N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide","C20 H21 N5 O2","C[CH]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2;CC1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4cccnc4C3)C","InChI=1S/C20H21N5O2/c1-13-10-18(26)24(2)23-19(13)14-5-7-16(8-6-14)22-20(27)25-11-15-4-3-9-21-17(15)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,27)/t13-/m1/s1","N-[4-[(4R)-1,4-Dimethyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide","2021-09-15","2022-08-22","~{N}-[4-[(4~{R})-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide","2022-06-15"],["KJ2","4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL","C18 H18 Cl N3 O3","Clc3c(O)cc(O)c(c1c(cnn1)c2ccc(OCCCN)cc2)c3;NCCCOc1ccc(cc1)c2cn[nH]c2c3cc(Cl)c(O)cc3O;c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN","InChI=1S/C18H18ClN3O3/c19-15-8-13(16(23)9-17(15)24)18-14(10-21-22-18)11-2-4-12(5-3-11)25-7-1-6-20/h2-5,8-10,23-24H,1,6-7,20H2,(H,21,22)","","2005-05-04","2011-06-04","4-{4-[4-(3-aminopropoxy)phenyl]-1H-pyrazol-5-yl}-6-chlorobenzene-1,3-diol",""],["7YU","(+)-Yatakemycin","C35 H29 N5 O8 S","COc1cc2[nH]c(cc2cc1O)C(=O)N3C[CH]4C[C]45C3=CC(=O)c6[nH]c(cc56)C(=O)N7CCc8c9cc([nH]c9c(OC)c(O)c78)C(=O)SC;COc1cc2c(cc1O)cc([nH]2)C(=O)N3CC4CC45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O","InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1","","2017-02-21","2017-12-01","","2017-12-06"],["KJ3","(2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid","C28 H28 F N O6","O=C(O)C(OC)Cc1ccc(OCCc2nc(oc2C)c2ccc(F)cc2OCC)c2ccccc21;CCOc1cc(F)ccc1c2oc(C)c(CCOc3ccc(C[CH](OC)C(O)=O)c4ccccc34)n2;CCOc1cc(ccc1c2nc(c(o2)C)CCOc3ccc(c4c3cccc4)CC(C(=O)O)OC)F","InChI=1S/C28H28FNO6/c1-4-34-25-16-19(29)10-11-22(25)27-30-23(17(2)36-27)13-14-35-24-12-9-18(15-26(33-3)28(31)32)20-7-5-6-8-21(20)24/h5-12,16,26H,4,13-15H2,1-3H3,(H,31,32)/t26-/m0/s1","","2022-02-03","2022-10-07","(2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid","2022-10-12"],["7YV","(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid","C17 H23 N O","Cc1cc(C)c(NC(=O)[CH]2C[CH]3CC[CH]2C3)c(C)c1;Cc1cc(c(c(c1)C)NC(=O)C2CC3CCC2C3)C","InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)/t13-,14+,15+/m1/s1","","2021-11-03","2021-11-26","(1~{S},2~{S},4~{R})-~{N}-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide","2021-12-01"],["7YW","O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C29 H45 Cl N4 O7","CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1cccc(Cl)c1)[CH](C)OC(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc2cccc(c2)Cl","InChI=1S/C29H45ClN4O7/c1-17(2)12-23(26(37)32-22(15-35)14-20-10-11-31-25(20)36)33-27(38)24(18(3)41-29(4,5)6)34-28(39)40-16-19-8-7-9-21(30)13-19/h7-9,13,17-18,20,22-24,35H,10-12,14-16H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t18-,20+,22+,23+,24+/m1/s1","","2021-08-23","2024-09-27","O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2022-07-20"],["KJ4","N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine","C24 H46 N10","C(CCC2CN(CCN(C)CCn1ccnc1N)C(=N)N2CCCC3CCCCC3)NC(=N)N;CN(CCN1C[CH](CCCNC(N)=N)N(CCCC2CCCCC2)C1=N)CCn3ccnc3N;CN(CCn1ccnc1N)CCN2CC(N(C2=N)CCCC3CCCCC3)CCCNC(=N)N","InChI=1S/C24H46N10/c1-31(15-17-32-14-12-30-23(32)27)16-18-33-19-21(10-5-11-29-22(25)26)34(24(33)28)13-6-9-20-7-3-2-4-8-20/h12,14,20-21,28H,2-11,13,15-19H2,1H3,(H2,27,30)(H4,25,26,29)/b28-24-/t21-/m0/s1","","2018-12-11","2019-07-26","N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine","2019-07-31"],["7YX","N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","C24 H27 N5 O2","C[CH]1CC(=O)N(N=C1c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C5CCCC5;CC1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4ccncc4C3)C5CCCC5","InChI=1S/C24H27N5O2/c1-16-12-22(30)29(21-4-2-3-5-21)27-23(16)17-6-8-20(9-7-17)26-24(31)28-14-18-10-11-25-13-19(18)15-28/h6-11,13,16,21H,2-5,12,14-15H2,1H3,(H,26,31)/t16-/m1/s1","","2021-09-15","2022-08-22","~{N}-[4-[(4~{R})-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","2022-06-15"],["KJ5","4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","C8 H7 F4 N O2 S","CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O;CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F","InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)","","2019-05-22","2020-04-10","4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","2020-04-15"],["KJ6","6-methyl-4-oxidanyl-pyran-2-one","C6 H6 O3","CC1=CC(=CC(=O)O1)O;CC1=CC(=CC(=O)O1)O","InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3","","2022-05-26","2022-09-16","6-methyl-4-oxidanyl-pyran-2-one","2022-09-21"],["7YY","6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione","C22 H17 Cl F3 N9 O2","Cn1cnc(CN2C(=O)N=C(Nc3cc4cn(C)nc4cc3Cl)N(Cc5cc(F)c(F)cc5F)C2=O)n1;Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C","InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)","","2021-11-04","2022-04-01","6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione","2022-04-06"],["7YZ","N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C29 H43 Cl N4 O6","CC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO;CC(C)[CH](NC(=O)OCc1cccc(Cl)c1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3cccc(c3)Cl","InChI=1S/C29H43ClN4O6/c1-18(2)25(34-29(39)40-17-20-9-6-10-22(30)13-20)28(38)33-24(14-19-7-4-3-5-8-19)27(37)32-23(16-35)15-21-11-12-31-26(21)36/h6,9-10,13,18-19,21,23-25,35H,3-5,7-8,11-12,14-17H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t21-,23-,24-,25-/m0/s1","","2021-08-23","2024-09-27","N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2022-07-20"],["KJ7","(5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine","C10 H13 N3","C=1(N)NC(CN=1)Cc2ccccc2;NC1=NC[CH](Cc2ccccc2)N1;c1ccc(cc1)CC2CN=C(N2)N","InChI=1S/C10H13N3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)/t9-/m0/s1","","2018-12-11","2019-07-26","(5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine","2019-07-31"],["7Z0","N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide","C21 H13 Br F2 N4 O3 S","COc1n[nH]c2ncc(cc12)C#Cc3c(F)ccc(N[S](=O)(=O)c4cccc(Br)c4)c3F;COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F","InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)","","2017-02-21","2017-12-22","~{N}-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide","2017-12-27"],["KJ8","N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide","C31 H31 N5 O3","O=C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)CCN(C)C;CN(C)CCC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5;CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)c5ccccc5","InChI=1S/C31H31N5O3/c1-36(2)17-16-26(38)34-24-15-9-14-23(18-24)27-28-30(35-25(19-37)21-10-5-3-6-11-21)32-20-33-31(28)39-29(27)22-12-7-4-8-13-22/h3-15,18,20,25,37H,16-17,19H2,1-2H3,(H,34,38)(H,32,33,35)/t25-/m1/s1","","2013-03-25","2013-06-14","N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide","2013-06-19"],["7Z1","(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone","C29 H29 F N4 O2","CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5;CCOc1ccc(c(c1)C(C(=O)N2CCCC2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F","InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1","2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone","2016-12-13","2021-03-01","(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone","2017-06-21"],["KJ9","(2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid","C37 H69 O17 P","CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O;CCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO[C]1(C[CH](O)[CH](O)[CH](O1)[CH](O)CO)C(O)=O;CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC(COC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O)O","InChI=1S/C37H69O17P/c1-3-5-7-9-11-13-15-17-19-21-33(43)53-29(26-49-32(42)20-18-16-14-12-10-8-6-4-2)27-52-55(47,48)51-25-28(39)24-50-37(36(45)46)22-30(40)34(44)35(54-37)31(41)23-38/h28-31,34-35,38-41,44H,3-27H2,1-2H3,(H,45,46)(H,47,48)/t28-,29+,30+,31+,34-,35+,37+/m1/s1","","2023-08-14","2024-04-12","(2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid","2024-04-17"],["7Z2","N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","C31 H31 N7 O2","NCCCCN1N=C(C[CH](C1=O)c2cccc3ncccc23)c4ccc(NC(=O)N5Cc6ccncc6C5)cc4;c1cc(c2cccnc2c1)C3CC(=NN(C3=O)CCCCN)c4ccc(cc4)NC(=O)N5Cc6ccncc6C5","InChI=1S/C31H31N7O2/c32-13-1-2-16-38-30(39)27(25-5-3-7-28-26(25)6-4-14-34-28)17-29(36-38)21-8-10-24(11-9-21)35-31(40)37-19-22-12-15-33-18-23(22)20-37/h3-12,14-15,18,27H,1-2,13,16-17,19-20,32H2,(H,35,40)/t27-/m1/s1","","2021-09-15","2022-08-22","~{N}-[4-[(5~{R})-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide","2022-06-15"],["KJB","3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one","C28 H33 F3 N8 O2","CC(c1ccnc(NC2Nc3ccc(cc3N2)c2ncncc2OC(C)C)c1)N1CCN(CC1)C(=O)CC(F)(F)F;CC(C)Oc1cncnc1c2ccc3N[CH](Nc4cc(ccn4)[CH](C)N5CCN(CC5)C(=O)CC(F)(F)F)Nc3c2;CC(C)Oc1cncnc1c2ccc3c(c2)NC(N3)Nc4cc(ccn4)C(C)N5CCN(CC5)C(=O)CC(F)(F)F","InChI=1S/C28H33F3N8O2/c1-17(2)41-23-15-32-16-34-26(23)20-4-5-21-22(12-20)36-27(35-21)37-24-13-19(6-7-33-24)18(3)38-8-10-39(11-9-38)25(40)14-28(29,30)31/h4-7,12-13,15-18,27,35-36H,8-11,14H2,1-3H3,(H,33,37)/t18-,27+/m1/s1","","2019-05-22","2022-07-26","3,3,3-trifluoro-1-{4-[(1R)-1-(2-{[(2S,5M)-5-{5-[(propan-2-yl)oxy]pyrimidin-4-yl}-2,3-dihydro-1H-benzimidazol-2-yl]amino}pyridin-4-yl)ethyl]piperazin-1-yl}propan-1-one","2020-04-01"],["7Z3","1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE","C11 H16 N2","c1ccc(cc1CN)N2CCCC2;NCc1cccc(c1)N2CCCC2;c1cc(cc(c1)N2CCCC2)CN","InChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2","CC38513","2011-12-08","2020-06-17","1-[3-(pyrrolidin-1-yl)phenyl]methanamine",""],["KJC","6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H26 N8 O3","O=C(NCC(C)(C)O)c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1;Cn1cc(NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c(n1)C(=O)NCC(C)(C)O;CC(C)(CNC(=O)c1c(cn(n1)C)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4)O","InChI=1S/C22H26N8O3/c1-22(2,33)11-25-20(31)19-17(10-30(3)29-19)28-21(32)18-16(26-14-8-23-12-24-9-14)7-6-15(27-18)13-4-5-13/h6-10,12-13,26,33H,4-5,11H2,1-3H3,(H,25,31)(H,28,32)","","2022-02-03","2022-10-07","6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["7Z4","5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide","C26 H20 N6 O4","n3(c(c(C(=O)Nc2cc1C(=O)N=Cc1cc2)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5;Oc1n(ncc1C(=O)Nc2ccc3C=NC(=O)c3c2)c4cccc(CNC(=O)Nc5ccccc5)c4;c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O","InChI=1S/C26H20N6O4/c33-23-21-12-19(10-9-17(21)14-27-23)30-24(34)22-15-29-32(25(22)35)20-8-4-5-16(11-20)13-28-26(36)31-18-6-2-1-3-7-18/h1-12,14-15,35H,13H2,(H,30,34)(H2,28,31,36)","","2016-12-13","2017-06-16","5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide","2017-06-21"],["KJD","4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide","C17 H13 F2 N3 O3 S","c1(cnc(N)c(c1)c2cc(F)c(c(c2)F)O)c3ccc(cc3)S(N)(=O)=O;Nc1ncc(cc1c2cc(F)c(O)c(F)c2)c3ccc(cc3)[S](N)(=O)=O;c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N","InChI=1S/C17H13F2N3O3S/c18-14-6-10(7-15(19)16(14)23)13-5-11(8-22-17(13)20)9-1-3-12(4-2-9)26(21,24)25/h1-8,23H,(H2,20,22)(H2,21,24,25)","","2018-12-14","2019-01-11","4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide","2019-01-16"],["KJE","18-carboxymethoxy-cleaviminium","C21 H25 N2 O2","CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2;CCC1=CC2CC(C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC","InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1","","2019-05-22","2020-02-28","","2020-03-04"],["7Z5","5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid","C17 H19 N3 O3","CCC(=O)Nc1ccc(cc1C(O)=O)N(C)Cc2cccnc2;CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2","InChI=1S/C17H19N3O3/c1-3-16(21)19-15-7-6-13(9-14(15)17(22)23)20(2)11-12-5-4-8-18-10-12/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23)","","2009-12-03","2011-06-04","5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid",""],["KJF","[(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium","C14 H21 N2 O","[NH3+][CH](CCc1ccccc1)C(=O)N2CCCC2;c1ccc(cc1)CCC(C(=O)N2CCCC2)[NH3+]","InChI=1S/C14H20N2O/c15-13(14(17)16-10-4-5-11-16)9-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2/p+1/t13-/m1/s1","","2022-05-26","2022-09-16","[(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium","2022-09-21"],["7Z6","5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one","C18 H15 Cl N6 O","Clc1cnc(NCc2cccnc2)nc1Nc3ccc4NC(=O)Cc4c3;c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl","InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)","","2017-02-22","2017-05-19","5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one","2017-05-24"],["7Z7","(2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide","C20 H19 N5 O4","OC[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3;c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)C(CO)O","InChI=1S/C20H19N5O4/c26-11-18(27)19(28)22-8-12-2-1-3-14(6-12)25-20(29)15(10-23-25)17-7-13-9-21-5-4-16(13)24-17/h1-7,9-10,18,24,26-27,29H,8,11H2,(H,22,28)/t18-/m0/s1","","2016-12-13","2017-06-16","(2~{S})-2,3-bis(oxidanyl)-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide","2017-06-21"],["KJG","2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione","C18 H12 O4","O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3ccccc3;OC1=C(C(=O)C(=C(C1=O)c2ccccc2)O)c3ccccc3;c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O","InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H","","2018-12-14","2019-12-13","2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione","2019-12-18"],["KJH","1-methylidenenaphthalen-2-one","C11 H8 O","C=C1C(=O)C=Cc2ccccc12;C=C1c2ccccc2C=CC1=O","InChI=1S/C11H8O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H2","","2019-05-24","2020-01-03","1-methylidenenaphthalen-2-one","2020-01-08"],["7Z8","N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide","C16 H33 N O6","CCCCCCCCC(=O)N(C)C[CH](O)[CH](O)[CH](O)[CH](O)CO;CCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O","InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1","MEGA-9","2022-03-02","2022-07-01","~{N}-methyl-~{N}-[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide","2022-07-06"],["7Z9","2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one","C14 H12 N4 O S","Cc1ccc2N=C(N)NC(=O)c2c1Sc3ccncc3;Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N","InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)","Nolatrexed; 2-Amino-6-methyl-5-(4-pyridylthio)-1H-quinazolin-4-one","2017-02-23","2021-03-13","2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3~{H}-quinazolin-4-one","2017-06-28"],["KJI","N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide","C17 H16 N4 O","O=C(Nc1cnccc1C)CNc1ccnc2ccccc21;Cc1ccncc1NC(=O)CNc2ccnc3ccccc23;Cc1ccncc1NC(=O)CNc2ccnc3c2cccc3","InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)","","2023-08-14","2023-11-03","N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide","2023-11-08"],["7ZA","2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone","C32 H36 N4 O3","CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5;CCOc1cc(ccc1OC(C)C)C(C(=O)N2CCCC2c3ccccc3)Nc4ccc5c(c4)ccnc5N","InChI=1S/C32H36N4O3/c1-4-38-29-20-24(12-15-28(29)39-21(2)3)30(35-25-13-14-26-23(19-25)16-17-34-31(26)33)32(37)36-18-8-11-27(36)22-9-6-5-7-10-22/h5-7,9-10,12-17,19-21,27,30,35H,4,8,11,18H2,1-3H3,(H2,33,34)/t27-,30-/m1/s1","","2016-12-13","2017-06-16","(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone","2017-06-21"],["KJJ","(2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C35 H41 F N2 O4","Cc1nc2CCN(C[CH]3C[CH]3c4ccccc4)Cc2c(c5cc(F)c6OCCCc6c5C)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3C(C(=O)O)OC(C)(C)C)C)CCN(C4)CC5CC5c6ccccc6","InChI=1S/C35H41FN2O4/c1-20-24-12-9-15-41-32(24)28(36)17-25(20)31-27-19-38(18-23-16-26(23)22-10-7-6-8-11-22)14-13-29(27)37-21(2)30(31)33(34(39)40)42-35(3,4)5/h6-8,10-11,17,23,26,33H,9,12-16,18-19H2,1-5H3,(H,39,40)/t23-,26+,33+/m1/s1","","2018-12-14","2019-01-11","(2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2019-01-16"],["KJK","(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","C19 H28 B N3 O5","NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3OB2O;B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O","InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1","","2019-05-24","2024-09-27","(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","2019-09-11"],["7ZB","4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine","C26 H27 Br N6","Cc1cc(cc(C)c1)Nc1nccc(n1)c1c(ncn1C1CCNCC1)c1ccc(Br)cc1;Cc1cc(C)cc(Nc2nccc(n2)c3n(cnc3c4ccc(Br)cc4)C5CCNCC5)c1;Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C","InChI=1S/C26H27BrN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)","","2021-08-24","2022-01-14","4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine","2022-01-19"],["7ZC","1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine","C12 H16 N2 O","COc1ccc2[nH]cc(CN(C)C)c2c1;CN(C)Cc1c[nH]c2c1cc(cc2)OC","InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3","","2017-02-23","2017-06-23","1-(5-methoxy-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-methanamine","2017-06-28"],["KJL","Archazolid A","C42 H62 N2 O7 S","O=C(OC(CC(C)C)c1nc(cs1)C1OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC1C)NC;CNC(=O)O[CH](CC(C)C)c1scc(n1)[CH]2OC(=O)C(=CCC(=C[CH](O)[CH](C)C=C(C)C=C(C)C=C[CH](O)[CH](C)[CH](OC)C(=CC=C[CH]2C)C)C)C;CC1C=CC=C(C(C(C(C=CC(=CC(=CC(C(C=C(CC=C(C(=O)OC1c2csc(n2)C(CC(C)C)OC(=O)NC)C)C)O)C)C)C)O)C)OC)C","InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1","(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate","2022-02-03","2022-02-18","(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate","2022-02-23"],["KJM","1-(3-chlorophenyl)cyclobutane-1-carboximidamide","C11 H13 Cl N2","NC(=N)C1(CCC1)c2cc(ccc2)Cl;NC(=N)C1(CCC1)c2cccc(Cl)c2;c1cc(cc(c1)Cl)C2(CCC2)C(=N)N","InChI=1S/C11H13ClN2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H3,13,14)","","2018-12-16","2019-04-12","1-(3-chlorophenyl)cyclobutane-1-carboximidamide","2019-04-17"],["7ZD","(2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide","C26 H23 N5 O3","O[CH](Cc1ccccc1)C(=O)NCc2cccc(c2)n3ncc(c3O)c4[nH]c5ccncc5c4;c1ccc(cc1)CC(C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O","InChI=1S/C26H23N5O3/c32-24(12-17-5-2-1-3-6-17)25(33)28-14-18-7-4-8-20(11-18)31-26(34)21(16-29-31)23-13-19-15-27-10-9-22(19)30-23/h1-11,13,15-16,24,30,32,34H,12,14H2,(H,28,33)/t24-/m0/s1","","2016-12-13","2017-06-16","(2~{S})-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenyl-propanamide","2017-06-21"],["KJN","[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium","C12 H19 N2 O","CN(C)C(=O)[CH]([NH3+])CCc1ccccc1;CN(C)C(=O)C(CCc1ccccc1)[NH3+]","InChI=1S/C12H18N2O/c1-14(2)12(15)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3/p+1/t11-/m1/s1","","2022-05-26","2022-09-16","[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium","2022-09-21"],["7ZE","5-nitroquinoline","C9 H6 N2 O2","[O-][N+](=O)c1cccc2ncccc12;[O-][N+](=O)c1cccc2ncccc12;c1cc2c(cccn2)c(c1)[N+](=O)[O-]","InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H","","2013-07-31","2014-02-21","5-nitroquinoline","2014-02-26"],["KJO","N-phenyl-2-(pyridin-3-yl)prop-2-enamide","C14 H12 N2 O","O=C(Nc1ccccc1)C(=C)c1cccnc1;C=C(C(=O)Nc1ccccc1)c2cccnc2;C=C(c1cccnc1)C(=O)Nc2ccccc2","InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17)","","2023-08-14","2023-11-03","N-phenyl-2-(pyridin-3-yl)prop-2-enamide","2023-11-08"],["7ZF","N-phenyl-1,3,5-triazine-2,4-diamine","C9 H9 N5","Nc1ncnc(Nc2ccccc2)n1;c1ccc(cc1)Nc2ncnc(n2)N","InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)","","2017-02-23","2017-05-19","~{N}2-phenyl-1,3,5-triazine-2,4-diamine","2017-05-24"],["KJP","3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid","C39 H39 Cl2 N5 O4","C(Cc3c4n(c2c(c1c(n(C)nc1C)C)c(Cl)ccc23)C(C)CN(C4=O)c5cn(C)c6c5cc(cc6)C(O)=O)COc7cc(c(c(c7)C)Cl)C;C[CH]1CN(C(=O)c2n1c3c(ccc(Cl)c3c4c(C)nn(C)c4C)c2CCCOc5cc(C)c(Cl)c(C)c5)c6cn(C)c7ccc(cc67)C(O)=O;Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CC4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl","InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1","","2018-12-18","2019-04-12","3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid","2019-04-17"],["7ZG","N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide","C15 H13 Cl N4 O","Nc1[nH]c2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1;c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N","InChI=1S/C15H13ClN4O/c16-10-3-1-2-9(6-10)7-14(21)18-11-4-5-12-13(8-11)20-15(17)19-12/h1-6,8H,7H2,(H,18,21)(H3,17,19,20)","","2016-12-13","2017-06-16","~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-(3-chlorophenyl)ethanamide","2017-06-21"],["KJQ","(2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol","C26 H21 N3 O2","n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NC(c5ccccc5)CO;OC[CH](Nc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12)c5ccccc5;c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)c5ccccc5","InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1","","2013-03-25","2013-06-14","(2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol","2013-06-19"],["7ZH","methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","C28 H34 N10 O7","COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1;COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCNC(=N)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C28H34N10O7/c1-44-26(42)15-8-14-4-5-16(10-17(14)18(39)9-15)37-28(43)32-7-3-2-6-31-27(30)33-11-19-21(40)22(41)25(45-19)38-13-36-20-23(29)34-12-35-24(20)38/h4-5,8-10,12-13,19,21-22,25,39-41H,2-3,6-7,11H2,1H3,(H2,29,34,35)(H3,30,31,33)(H2,32,37,43)/t19-,21-,22-,25-/m1/s1","","2021-09-17","2022-08-22","methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","2022-04-06"],["KJR","N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide","C28 H24 N4 O3","O=C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)C;CC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5;CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)c5ccccc5","InChI=1S/C28H24N4O3/c1-18(34)31-22-14-8-13-21(15-22)24-25-27(32-23(16-33)19-9-4-2-5-10-19)29-17-30-28(25)35-26(24)20-11-6-3-7-12-20/h2-15,17,23,33H,16H2,1H3,(H,31,34)(H,29,30,32)/t23-/m1/s1","","2013-03-25","2013-06-14","N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide","2013-06-19"],["7ZJ","N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide","C18 H20 N6 O4 S","C[S](=O)(=O)N(CC(N)=O)c1cccc(CC(=O)Nc2ccc3nc(N)[nH]c3c2)c1;CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N","InChI=1S/C18H20N6O4S/c1-29(27,28)24(10-16(19)25)13-4-2-3-11(7-13)8-17(26)21-12-5-6-14-15(9-12)23-18(20)22-14/h2-7,9H,8,10H2,1H3,(H2,19,25)(H,21,26)(H3,20,22,23)","","2016-12-13","2017-06-16","~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-[3-[(2-azanyl-2-oxidanylidene-ethyl)-methylsulfonyl-amino]phenyl]ethanamide","2017-06-21"],["KJS","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole","C29 H36 N4 O3","c1c(ccc(c1)CCc4n(c2c(cc(cc2)c3c(noc3C)C)n4)CCN5CCOCC5)OCCC;CCCOc1ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc5C)cc1;CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C","InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3","","2018-12-19","2019-01-18","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole","2019-01-23"],["7ZK","2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine","C27 H29 I N6 O","NCCN1CCC(C1)n1cnc(c2ccc(I)cc2)c1c1ccnc(Oc2cc(C)cc(C)c2)n1;Cc1cc(C)cc(Oc2nccc(n2)c3n(cnc3c4ccc(I)cc4)[CH]5CCN(CCN)C5)c1;Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN)c5ccc(cc5)I)C","InChI=1S/C27H29IN6O/c1-18-13-19(2)15-23(14-18)35-27-30-10-7-24(32-27)26-25(20-3-5-21(28)6-4-20)31-17-34(26)22-8-11-33(16-22)12-9-29/h3-7,10,13-15,17,22H,8-9,11-12,16,29H2,1-2H3/t22-/m1/s1","","2021-08-24","2022-01-14","2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine","2022-01-19"],["KJT","diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium","C44 H63 N4 O6 S","CC[N+](CC)=C1CCC2CC(C(O)NCCOCCOCCN(C[CH]3CCCN(C3)Cc4ccccc4)[S](=O)(=O)c5ccc6ccccc6c5)C(=O)CC2C1;CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(CC3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC","InChI=1S/C44H63N4O6S/c1-3-47(4-2)40-18-16-38-29-42(43(49)30-39(38)27-40)44(50)45-20-23-53-25-26-54-24-22-48(55(51,52)41-19-17-36-14-8-9-15-37(36)28-41)33-35-13-10-21-46(32-35)31-34-11-6-5-7-12-34/h5-9,11-12,14-15,17,19,28,35,38-39,42,44-45,50H,3-4,10,13,16,18,20-27,29-33H2,1-2H3/q+1/t35-,38?,39?,42?,44?/m1/s1","","2019-05-28","2020-01-17","diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium","2020-01-22"],["7ZL","5-chloro-N4-phenylpyrimidine-2,4-diamine","C10 H9 Cl N4","Nc1ncc(Cl)c(Nc2ccccc2)n1;c1ccc(cc1)Nc2c(cnc(n2)N)Cl","InChI=1S/C10H9ClN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)","","2017-02-23","2017-05-19","5-chloranyl-~{N}4-phenyl-pyrimidine-2,4-diamine","2017-05-24"],["KJU","6-chloro-2H-1,4-benzoxazin-3(4H)-one","C8 H6 Cl N O2","Clc2ccc1OCC(=O)Nc1c2;Clc1ccc2OCC(=O)Nc2c1;c1cc2c(cc1Cl)NC(=O)CO2","InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)","","2015-02-12","2015-05-08","6-chloro-2H-1,4-benzoxazin-3(4H)-one","2015-05-13"],["7ZM","N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide","C15 H13 N5 O2","Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1;c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O","InChI=1S/C15H13N5O2/c16-13-7-6-10(8-17-13)19-14(21)12-9-18-20(15(12)22)11-4-2-1-3-5-11/h1-9,22H,(H2,16,17)(H,19,21)","","2016-12-13","2017-06-16","~{N}-(6-azanylpyridin-3-yl)-5-oxidanyl-1-phenyl-pyrazole-4-carboxamide","2017-06-21"],["7ZN","2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid","C23 H26 N4 O4 S","OC(=O)c1ccccc1CCN2C(=S)NN=C2c3cccc(OCCN4CCOCC4)c3;c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O","InChI=1S/C23H26N4O4S/c28-22(29)20-7-2-1-4-17(20)8-9-27-21(24-25-23(27)32)18-5-3-6-19(16-18)31-15-12-26-10-13-30-14-11-26/h1-7,16H,8-15H2,(H,25,32)(H,28,29)","2-[2-[3-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid","2021-09-20","2022-08-22","2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]ethyl]benzoic acid","2022-03-16"],["KJV","4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide","C32 H33 N5 O3","O=C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)CCCN(C)C;CN(C)CCCC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5;CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)c5ccccc5","InChI=1S/C32H33N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-9,11-16,19,21,26,38H,10,17-18,20H2,1-2H3,(H,35,39)(H,33,34,36)/t26-/m1/s1","","2013-03-25","2013-06-14","4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide","2013-06-19"],["7ZO","5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one","C12 H9 Cl N4 O","Clc1cncnc1Nc2ccc3NC(=O)Cc3c2;c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2","InChI=1S/C12H9ClN4O/c13-9-5-14-6-15-12(9)16-8-1-2-10-7(3-8)4-11(18)17-10/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16)","","2017-02-23","2017-05-19","5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one","2017-05-24"],["KJW","(d)3-hydroxy-Leucine","C6 H13 N O3","CC(C)[CH](O)[CH](N)C(O)=O;CC(C)C(C(C(=O)O)N)O","InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1","","2019-05-28","2024-09-27","(2~{R},3~{S})-2-azanyl-4-methyl-3-oxidanyl-pentanoic acid","2020-07-08"],["KJX","(2S,4aS,4bS,7R,8S,8aS,9R,10aR)-7-[(2R,3R)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol","C27 H46 O3","CC(C)(O)CCCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3O;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3[CH](O)C=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C","InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1","","2022-02-04","2022-04-08","9beta,14beta,17alpha-cholest-5-ene-3beta,7alpha,25-triol","2022-04-13"],["7ZP","1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea","C24 H18 F2 N6 O2","Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5c(F)cccc5F)c4;c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F","InChI=1S/C24H18F2N6O2/c25-18-5-2-6-19(26)22(18)31-24(34)28-11-14-3-1-4-16(9-14)32-23(33)17(13-29-32)21-10-15-12-27-8-7-20(15)30-21/h1-10,12-13,30,33H,11H2,(H2,28,31,34)","","2016-12-13","2017-06-16","1-[2,6-bis(fluoranyl)phenyl]-3-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea","2017-06-21"],["7ZQ","3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide","C17 H17 Cl N2 O2","C[CH](NC(=O)CNC(=O)c1cccc(Cl)c1)c2ccccc2;CC(c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl","InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1","","2021-11-08","2021-12-24","3-chloranyl-~{N}-[2-oxidanylidene-2-[[(1~{S})-1-phenylethyl]amino]ethyl]benzamide","2021-12-29"],["KJY","2,4-dihydroxy-3,6-dimethylbenzaldehyde","C9 H10 O3","Cc1cc(c(c(O)c1C=O)C)O;Cc1cc(O)c(C)c(O)c1C=O;Cc1cc(c(c(c1C=O)O)C)O","InChI=1S/C9H10O3/c1-5-3-8(11)6(2)9(12)7(5)4-10/h3-4,11-12H,1-2H3","","2018-12-19","2019-08-09","2,4-dihydroxy-3,6-dimethylbenzaldehyde","2019-08-14"],["KJZ","[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid","C23 H20 Cl N3 O4","Clc3ccccc3NC(=O)CCC(=O)N(/N=C/c2c1ccccc1ccc2)CC(=O)O;OC(=O)CN(N=Cc1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl;c1ccc2c(c1)cccc2C=NN(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl","InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+","","2010-04-21","2011-06-04","[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazinyl]acetic acid",""],["7ZR","3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide","C17 H15 N3 O6 S2","COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O;COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]","InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)","Ro 61-8048","2017-02-23","2021-03-01","3,4-dimethoxy-~{N}-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide","2017-12-27"],["KK0","(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one","C10 H10 Cl N O","Clc1ccc(cc1)[CH]2CCC(=O)N2;c1cc(ccc1C2CCC(=O)N2)Cl","InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1","","2022-05-26","2022-09-16","(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one","2022-09-21"],["7ZS","3-methanoyl-2-oxidanyl-benzoic acid","C8 H6 O4","OC(=O)c1cccc(C=O)c1O;c1cc(c(c(c1)C(=O)O)O)C=O","InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)","","2016-12-13","2024-09-27","3-methanoyl-2-oxidanyl-benzoic acid","2017-02-08"],["KK1","6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine","C19 H28 N4 O","n2c(c1ccc(OC)cc1)cc(nc2N)NCCCCCCCC;CCCCCCCCNc1cc(nc(N)n1)c2ccc(OC)cc2;CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC","InChI=1S/C19H28N4O/c1-3-4-5-6-7-8-13-21-18-14-17(22-19(20)23-18)15-9-11-16(24-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H3,20,21,22,23)","","2014-05-06","2014-07-11","6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine","2014-07-16"],["7ZT","2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine","C27 H29 I N6 O","NCCN1CCC(C1)n1cnc(c2ccc(I)cc2)c1c1ccnc(Oc2cc(C)cc(C)c2)n1;Cc1cc(C)cc(Oc2nccc(n2)c3n(cnc3c4ccc(I)cc4)[CH]5CCN(CCN)C5)c1;Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN)c5ccc(cc5)I)C","InChI=1S/C27H29IN6O/c1-18-13-19(2)15-23(14-18)35-27-30-10-7-24(32-27)26-25(20-3-5-21(28)6-4-20)31-17-34(26)22-8-11-33(16-22)12-9-29/h3-7,10,13-15,17,22H,8-9,11-12,16,29H2,1-2H3/t22-/m0/s1","","2021-08-24","2022-01-14","2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine","2022-01-19"],["KK2","4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine","C15 H15 F3 N4 O","FC(F)(F)c1ccc(cc1)c3nc(nc(N2CCOCC2)c3)N;Nc1nc(cc(n1)c2ccc(cc2)C(F)(F)F)N3CCOCC3;c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F","InChI=1S/C15H15F3N4O/c16-15(17,18)11-3-1-10(2-4-11)12-9-13(21-14(19)20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21)","","2014-05-05","2014-07-11","4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine","2014-07-16"],["7ZU","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr\no-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H44 O3","C[CH](C=C[CH](C)C(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1","1,25-dihydroxyvitamin D2","2017-02-28","2020-06-17","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(~{E},2~{R},5~{S})-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2017-05-10"],["KK3","4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine","C17 H19 F3 N4","FC(F)(F)c1ccc(cc1)c2nc(nc(c2)N3CCC(CC3)C)N;CC1CCN(CC1)c2cc(nc(N)n2)c3ccc(cc3)C(F)(F)F;CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F","InChI=1S/C17H19F3N4/c1-11-6-8-24(9-7-11)15-10-14(22-16(21)23-15)12-2-4-13(5-3-12)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H2,21,22,23)","","2014-05-05","2014-07-11","4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine","2014-07-16"],["7ZV","5-hydroxydiclofenac","C14 H11 Cl2 N O3","OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl;c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl","InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)","2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid","2016-12-13","2020-06-17","2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid","2017-02-08"],["7ZW","2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide","C16 H18 F3 N3 O3","CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O;CC(C)CC1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F","InChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1","","2020-03-12","2020-06-26","2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide","2020-07-01"],["KK4","3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one","C30 H28 N4 O3","O=C1ON=C(N1)C(=C2/c4c(COc3c2cccc3)cc(cc4)Cn5c(CCC)nc6c5cccc6C)C;CCCc1nc2c(C)cccc2n1Cc3ccc4c(COc5ccccc5C4=C(C)C6=NOC(=O)N6)c3;CCCc1nc2c(cccc2n1Cc3ccc4c(c3)COc5ccccc5C4=C(C)C6=NOC(=O)N6)C","InChI=1S/C30H28N4O3/c1-4-8-26-31-28-18(2)9-7-11-24(28)34(26)16-20-13-14-22-21(15-20)17-36-25-12-6-5-10-23(25)27(22)19(3)29-32-30(35)37-33-29/h5-7,9-15H,4,8,16-17H2,1-3H3,(H,32,33,35)/b27-19+","","2018-08-10","2018-11-09","3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one","2018-11-14"],["7ZX","4-bromanyl-1,2-oxazole","C3 H2 Br N O","Brc1conc1;c1c(con1)Br","InChI=1S/C3H2BrNO/c4-3-1-5-6-2-3/h1-2H","","2021-09-21","2022-09-16","4-bromanyl-1,2-oxazole","2022-09-21"],["KK5","Zn-substituted alpha-Keggin","O39 P W11 Zn","O=[W]123O[Zn]45O[W]67(=O)(O[P-]89[O]%10%11[W]%12%13(=O)O[W]%14%15%16(=O)O[W]%17%18(=O)(O4)O[W]%19%20(=O)(O5)O[W]%21(=O)(O%12)(O%14)O[W](=O)(O6)(O%19)(O[W]%10(=O)(O%13)(O7)O[W+]%11(=O)(=O)(O1)O[W](=O)(O2)(O%17)(O%15)[O]8%16%18)[O]9%20%21)O3;O=[W]1234O[Zn]56O[W]78(=O)(O1)O2P91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4","InChI=1S/O4P.35O.11W.Zn/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2019-05-29","2019-09-13","","2019-09-18"],["7ZY","1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea","C24 H20 N6 O2","Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4;c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O","InChI=1S/C24H20N6O2/c31-23-20(22-12-17-14-25-10-9-21(17)29-22)15-27-30(23)19-8-4-5-16(11-19)13-26-24(32)28-18-6-2-1-3-7-18/h1-12,14-15,29,31H,13H2,(H2,26,28,32)","","2016-12-13","2017-06-16","1-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenyl-urea","2017-06-21"],["KK6","5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile","C31 H29 F N6 O3","COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(F)c(c6)C#N)c2cc1OC;COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F","InChI=1S/C31H29FN6O3/c1-40-28-14-24-26(15-29(28)41-2)34-19-35-30(24)36-11-9-20(10-12-36)17-37-18-21-5-3-4-6-27(21)38(31(37)39)23-7-8-25(32)22(13-23)16-33/h3-8,13-15,19-20H,9-12,17-18H2,1-2H3","","2020-06-24","2021-05-07","5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4~{H}-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile","2021-05-12"],["7ZZ","2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine","C15 H12 Cl F4 N5 O2","Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(OC(F)F)c3)cnc12;c1c(cc(cc1OCC(F)F)OC(F)F)Cn2cnc3c2nc(nc3N)Cl","InChI=1S/C15H12ClF4N5O2/c16-14-23-12(21)11-13(24-14)25(6-22-11)4-7-1-8(26-5-10(17)18)3-9(2-7)27-15(19)20/h1-3,6,10,15H,4-5H2,(H2,21,23,24)","","2021-11-08","2022-10-28","9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-[bis(fluoranyl)methoxy]phenyl]methyl]-2-chloranyl-purin-6-amine","2022-11-02"],["KK7","N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide","C15 H13 N5 O","c3nc(C(Nc2cc(c1n(cnn1)C)ccc2)=O)ccc3;Cn1cnnc1c2cccc(NC(=O)c3ccccn3)c2;Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3","InChI=1S/C15H13N5O/c1-20-10-17-19-14(20)11-5-4-6-12(9-11)18-15(21)13-7-2-3-8-16-13/h2-10H,1H3,(H,18,21)","","2018-07-13","2018-09-14","N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide","2018-09-19"],["800","N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C27 H39 N5 O5","CC(C)C(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO;CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)C)NC(=O)c2cc3ccccc3[nH]2","InChI=1S/C27H39N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13,15-16,18-19,21,23,30,33H,9-12,14H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1","","2021-08-24","2024-09-27","N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2022-07-20"],["KK8","N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide","C22 H18 N6 O","N(c3cc(c1nncn1C2CC2)ccc3)C(c4nccc(c4)c5cnccc5)=O;O=C(Nc1cccc(c1)c2nncn2C3CC3)c4cc(ccn4)c5cccnc5;c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5","InChI=1S/C22H18N6O/c29-22(20-12-15(8-10-24-20)17-4-2-9-23-13-17)26-18-5-1-3-16(11-18)21-27-25-14-28(21)19-6-7-19/h1-5,8-14,19H,6-7H2,(H,26,29)","","2018-07-13","2018-09-14","N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide","2018-09-19"],["KK9","N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide","C16 H16 Cl N O2","CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1;CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C","InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19)","","2020-07-30","2024-09-27","~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide","2021-02-03"],["801","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE","C13 H11 N5 O","[O-]c3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ncccc3[O-];c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]","InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)","CRA_1801","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate",""],["KKA","(2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid","C10 H18 N2 O5 S","O=C(NC(C(=O)O)CCS)CCCC(C(=O)O)N;N[CH](CCCC(=O)N[CH](CCS)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)NC(CCS)C(=O)O","InChI=1S/C10H18N2O5S/c11-6(9(14)15)2-1-3-8(13)12-7(4-5-18)10(16)17/h6-7,18H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1","","2012-09-20","2013-04-12","N~6~-[(1S)-1-carboxy-3-sulfanylpropyl]-6-oxo-L-lysine","2013-04-17"],["802","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE","C14 H11 F N4 O","Fc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(F)ccc3[O-];c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F","InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)","CRA_1802","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolate",""],["KKB","Seladelpar","C21 H23 F3 O5 S","CCO[CH](COc1ccc(cc1)C(F)(F)F)CSc2ccc(OCC(O)=O)c(C)c2;CCOC(COc1ccc(cc1)C(F)(F)F)CSc2ccc(c(c2)C)OCC(=O)O","InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1","","2019-05-30","2023-08-04","2-[4-[(2~{R})-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methyl-phenoxy]ethanoic acid","2023-08-09"],["803","LOVASTATIN","C24 H36 O5","O=C(OC1C3C(=CC(C)C1)C=CC(C3CCC2OC(=O)CC(O)C2)C)C(C)CC;CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12;CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C","InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1","MK-803; LOVALIP; MEVACOR","1999-08-11","2020-06-17","(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate",""],["804","6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole","C28 H27 N5","N6=C(c1cc5c(cc1)cc(c4ccc(c3ccc(C2=NCCCN2)cc3)cc4)n5)NCCC6;C1CNC(=NC1)c2ccc(cc2)c3ccc(cc3)c4[nH]c5cc(ccc5c4)C6=NCCCN6;c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6","InChI=1S/C28H27N5/c1-13-29-27(30-14-1)22-9-5-20(6-10-22)19-3-7-21(8-4-19)25-17-23-11-12-24(18-26(23)33-25)28-31-15-2-16-32-28/h3-12,17-18,33H,1-2,13-16H2,(H,29,30)(H,31,32)","DB1804","2011-09-29","2021-03-01","6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole","2012-09-07"],["KKC","delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)","C37 H25 F4 Ir N5 O2","Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7;c1c(cc2c(c1F)C3=CC=CC=[N]3[Ir+3]245(c6cc(cc(c6C7=CC=CC=[N]47)F)F)[N]8=C(C=CC=C8)C9=[N]5C=C(C=C9)CN1C(=O)CCC1=O)F","InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-5,8-9H,6-7,10H2;2*1-4,6-7H;/q;;;+3","","2022-09-23","2024-09-27","","2023-03-15"],["KKD","N-acetyl-L-aspartic acid","C6 H9 N O5","N(C(C)=O)C(C(=O)O)CC(=O)O;CC(=O)N[CH](CC(O)=O)C(O)=O;CC(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1","","2018-12-19","2024-09-27","N-acetyl-L-aspartic acid","2020-01-29"],["805","1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide","C16 H15 N3 O4 S","Cc1ccc(cc1)[S](=O)(=O)n2ccc(c2)C(=O)NCc3occn3;Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C(=O)NCc3ncco3","InChI=1S/C16H15N3O4S/c1-12-2-4-14(5-3-12)24(21,22)19-8-6-13(11-19)16(20)18-10-15-17-7-9-23-15/h2-9,11H,10H2,1H3,(H,18,20)","","2021-09-21","2022-08-22","1-(4-methylphenyl)sulfonyl-~{N}-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide","2022-08-17"],["KKE","1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea","C14 H14 B N2 O3 S","O[B+]1(O)OCc2ccc(NC(=S)Nc3ccccc3)cc12;[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O","InChI=1S/C14H14BN2O3S/c18-15(19)13-8-12(7-6-10(13)9-20-15)17-14(21)16-11-4-2-1-3-5-11/h1-8,18-19H,9H2,(H2,16,17,21)/q+1","","2019-06-03","2019-08-23","1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea","2019-08-28"],["806","7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID","C31 H31 N5 O","[N@H]=C(N6CCC(Oc3ccc2c1ccccc1n(c2c3)Cc5cc4cc(C(=[N@H])N)ccc4cc5)CC6)C;CC(=N)N1CCC(CC1)Oc2ccc3c(c2)n(Cc4ccc5ccc(cc5c4)C(N)=N)c6ccccc36;[H]N=C(C)N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N","InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34)/b32-20-","ZK-806450","1999-07-08","2020-06-17","7-{[2-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-9H-carbazol-9-yl]methyl}naphthalene-2-carboximidamide",""],["KKF","8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one","C23 H21 Cl3 N2 O3","Clc1ccc(cc1)/C=C/C(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2;Clc1ccc(cc1)C=CC(=O)N2CCC3(CC2)CN(Cc4ccc(Cl)c(Cl)c4)C(=O)O3;c1cc(ccc1C=CC(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl","InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+","","2022-02-04","2022-04-08","8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one","2022-04-13"],["807","2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine","C17 H18 Cl F2 N5 O2","CC(C)Oc1cc(Cn2cnc3c(N)nc(Cl)nc23)cc(OCC(F)F)c1;CC(C)Oc1cc(cc(c1)OCC(F)F)Cn2cnc3c2nc(nc3N)Cl","InChI=1S/C17H18ClF2N5O2/c1-9(2)27-12-4-10(3-11(5-12)26-7-13(19)20)6-25-8-22-14-15(21)23-17(18)24-16(14)25/h3-5,8-9,13H,6-7H2,1-2H3,(H2,21,23,24)","","2021-11-08","2022-10-28","9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-propan-2-yloxy-phenyl]methyl]-2-chloranyl-purin-6-amine","2022-11-02"],["KKG","(4-oxoquinazolin-3(4H)-yl)acetic acid","C10 H8 N2 O3","C(CN1C=Nc2c(C1=O)cccc2)(O)=O;OC(=O)CN1C=Nc2ccccc2C1=O;c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O","InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)","","2018-12-21","2018-12-28","(4-oxoquinazolin-3(4H)-yl)acetic acid","2019-01-02"],["808","N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide","C18 H20 F3 N O3 S","FC(F)(F)c1oc(cc1)Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3;CC(C)[S](=O)(=O)N[CH]1Cc2ccc(Cc3oc(cc3)C(F)(F)F)cc2C1;CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F","InChI=1S/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/m0/s1","(S)-N-(5-((5-(trifluoromethyl)furan-2-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide","2010-11-23","2020-06-17","N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide",""],["809","4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione","C19 H15 Cl N2 O3","Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(cc3CCO)C;Cn1cc(CCO)c2c1cc(c3ccccc3Cl)c4C(=O)NC(=O)c24;Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO","InChI=1S/C19H15ClN2O3/c1-22-9-10(6-7-23)15-14(22)8-12(11-4-2-3-5-13(11)20)16-17(15)19(25)21-18(16)24/h2-5,8-9,23H,6-7H2,1H3,(H,21,24,25)","","2008-04-09","2011-06-04","4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione",""],["KKH","1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea","C14 H14 B N2 O4","O[B]1(O)OCc2ccc(NC(=O)Nc3ccccc3)cc12;B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O","InChI=1S/C14H14BN2O4/c18-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-21-15(19,20)13(10)8-12/h1-8,19-20H,9H2,(H2,16,17,18)","","2019-06-03","2019-08-23","1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea","2019-08-28"],["80A","(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol","C18 H22 N2 O2","O(c1ccc(cc1)C(O)c2ccncc2)CCN3CCCC3;O[CH](c1ccncc1)c2ccc(OCCN3CCCC3)cc2;c1cc(ccc1C(c2ccncc2)O)OCCN3CCCC3","InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1","","2009-01-20","2011-06-04","(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol",""],["KKI","2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile","C21 H23 N5 O","O=C([CH]1C[CH](CN1)c2ccccc2)N3CCN(CC3)c4ncccc4C#N;c1ccc(cc1)C2CC(NC2)C(=O)N3CCN(CC3)c4c(cccn4)C#N","InChI=1S/C21H23N5O/c22-14-17-7-4-8-23-20(17)25-9-11-26(12-10-25)21(27)19-13-18(15-24-19)16-5-2-1-3-6-16/h1-8,18-19,24H,9-13,15H2/t18-,19-/m1/s1","","2022-05-26","2022-09-16","2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile","2022-09-21"],["KKJ","(2S,3R)-2-hexyl-3-hydroxynonanoic acid","C15 H30 O3","O=C(O)C(CCCCCC)C(O)CCCCCC;CCCCCC[CH](O)[CH](CCCCCC)C(O)=O;CCCCCCC(C(CCCCCC)O)C(=O)O","InChI=1S/C15H30O3/c1-3-5-7-9-11-13(15(17)18)14(16)12-10-8-6-4-2/h13-14,16H,3-12H2,1-2H3,(H,17,18)/t13-,14+/m0/s1","","2011-07-29","2011-08-05","(2S,3R)-2-hexyl-3-hydroxynonanoic acid",""],["80C","8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline","C22 H20 Cl F N4 O","COc1ccc(c(Cl)c1)c2cc3c(cc2F)ncc4ncn(C5CCNCC5)c34;COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5","InChI=1S/C22H20ClFN4O/c1-29-14-2-3-15(18(23)8-14)16-9-17-20(10-19(16)24)26-11-21-22(17)28(12-27-21)13-4-6-25-7-5-13/h2-3,8-13,25H,4-7H2,1H3","","2021-09-21","2022-08-22","8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline","2022-03-16"],["80D","2-chloro-9-(3-(2,2-difluoroethoxy)-5-(pyridin-4-yl)benzyl)-9H-purin-6-amine","C19 H15 Cl F2 N6 O","Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(c3)c4ccncc4)cnc12;c1cnccc1c2cc(cc(c2)OCC(F)F)Cn3cnc4c3nc(nc4N)Cl","InChI=1S/C19H15ClF2N6O/c20-19-26-17(23)16-18(27-19)28(10-25-16)8-11-5-13(12-1-3-24-4-2-12)7-14(6-11)29-9-15(21)22/h1-7,10,15H,8-9H2,(H2,23,26,27)","","2021-11-08","2022-10-28","9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-pyridin-4-yl-phenyl]methyl]-2-chloranyl-purin-6-amine","2022-11-02"],["KKK","1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine","C26 H28 Cl2 N4 O4","CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2;CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl","InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1","","2010-01-27","2011-06-04","1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone",""],["80E","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid","C19 H18 N2 O4","O=C(OC)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O;COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O;COC(=O)c1ccc(c(c1)C(=O)O)NCCc2c[nH]c3c2cccc3","InChI=1S/C19H18N2O4/c1-25-19(24)12-6-7-17(15(10-12)18(22)23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,22,23)","","2021-08-24","2022-08-26","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid","2022-08-31"],["KKL","4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide","C17 H12 N4 O2","c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N;Nc1ccc(cc1)C(=O)Nc2oc(nn2)c3ccc(cc3)C#C;C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N","InChI=1S/C17H12N4O2/c1-2-11-3-5-13(6-4-11)16-20-21-17(23-16)19-15(22)12-7-9-14(18)10-8-12/h1,3-10H,18H2,(H,19,21,22)","","2019-04-19","2021-02-05","4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide","2021-02-10"],["KKM","7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C16 H16 N4 O3","c1ccccc1c3cc(O)n2c(c(cn2)C(NC(CO)C)=O)n3;C[CH](CO)NC(=O)c1cnn2c(O)cc(nc12)c3ccccc3;CC(CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3","InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1","","2018-12-27","2019-01-18","7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-01-23"],["80F","(2R)-3-[[(4S)-3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4H-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid","C24 H34 N8 O16 P2 S","N[CH](CS[CH]1C=CN(C=C1C(N)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(C(=C5)C(=O)N)SCC(C(=O)O)N)O)O)O)O)N","InChI=1S/C24H34N8O16P2S/c25-10(24(38)39)6-51-13-1-2-31(3-9(13)20(27)37)22-17(35)15(33)11(46-22)4-44-49(40,41)48-50(42,43)45-5-12-16(34)18(36)23(47-12)32-8-30-14-19(26)28-7-29-21(14)32/h1-3,7-8,10-13,15-18,22-23,33-36H,4-6,25H2,(H2,27,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,29)/t10-,11+,12+,13-,15+,16+,17+,18+,22+,23+/m0/s1","","2017-03-07","2018-04-27","(2~{R})-3-[[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid","2018-05-02"],["80G","1-(4-thiophen-2-ylphenyl)methanamine","C11 H11 N S","s2c(c1ccc(cc1)CN)ccc2;NCc1ccc(cc1)c2sccc2;c1cc(sc1)c2ccc(cc2)CN","InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2","","2009-01-20","2011-06-04","1-(4-thiophen-2-ylphenyl)methanamine",""],["KKN","3-methyl-2H-furo[2,3-c]pyran-2-one","C8 H6 O3","O=C2OC1=COC=CC1=C2C;CC1=C2C=COC=C2OC1=O;CC1=C2C=COC=C2OC1=O","InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3","Karrikin KAR1","2013-04-08","2020-06-17","3-methyl-2H-furo[2,3-c]pyran-2-one","2013-05-08"],["KKO","(2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","C23 H22 Cl2 N4 O3 S","COc1ccncc1C(=O)N2CCN([CH](C2)C(=O)NCc3sccc3)c4ccc(Cl)c(Cl)c4;COc1ccncc1C(=O)N2CCN(C(C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl","InChI=1S/C23H22Cl2N4O3S/c1-32-21-6-7-26-13-17(21)23(31)28-8-9-29(15-4-5-18(24)19(25)11-15)20(14-28)22(30)27-12-16-3-2-10-33-16/h2-7,10-11,13,20H,8-9,12,14H2,1H3,(H,27,30)/t20-/m0/s1","","2023-08-15","2023-12-01","(2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","2023-12-06"],["80H","~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide","C19 H17 Cl F N7 O2 S","CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4c(F)c(Cl)ccc4n3)[S](C)(=O)=O;CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C","InChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-8-23-19)10-24-14-7-9-22-17(26-14)18-25-13-6-5-12(20)15(21)16(13)27-18/h3-9H,10H2,1-2H3,(H,25,27)(H,22,24,26)","","2021-09-21","2022-08-22","~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide","2021-12-15"],["KKP","7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C14 H12 N4 O2","c3c(c2cc(O)n1c(c(cn1)C(NC)=O)n2)cccc3;CNC(=O)c1cnn2c(O)cc(nc12)c3ccccc3;CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3","InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20)","","2018-12-27","2019-01-18","7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-01-23"],["80I","[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate","C24 H33 N4 O9 P","COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O)CO[P](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)COP(=O)(O)O)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1","","2021-11-09","2022-08-19","[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butyl] dihydrogen phosphate","2022-08-24"],["KKQ","[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone","C25 H22 Br F N4 O","Fc1ccccc1C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Br)cc5;c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F","InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2","","2019-06-03","2019-08-02","[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone","2019-08-07"],["80J","2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate)","C9 H15 F N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F","InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2021-08-24","2023-05-19","2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate)","2023-05-24"],["KKR","1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-\ndione","C30 H35 N7 O3 S","O=C(C=C(/C)C)CCC(=O)N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6;CC(C)=CC(=O)CCC(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc6[nH]ncc56;CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C","InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)","1-[4-[[2-(1H-indazol-4-yl)-4-morpholinthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione","2013-01-09","2024-09-27","1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione","2013-02-08"],["80K","tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate","C22 H30 N4 O3 S","CC(OC(NCCSCC(C(=O)NCc1cccnc1)Nc2ccccc2)=O)(C)C;CC(C)(C)OC(=O)NCCSC[CH](Nc1ccccc1)C(=O)NCc2cccnc2;CC(C)(C)OC(=O)NCCSCC(C(=O)NCc1cccnc1)Nc2ccccc2","InChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)24-12-13-30-16-19(26-18-9-5-4-6-10-18)20(27)25-15-17-8-7-11-23-14-17/h4-11,14,19,26H,12-13,15-16H2,1-3H3,(H,24,28)(H,25,27)/t19-/m1/s1","","2017-10-23","2017-12-08","tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate","2017-12-13"],["80L","3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid","C16 H14 Cl N5 O5","OC(=O)CCNc1cc(Nc2ccc3NC(=O)Nc3c2)c(Cl)cc1[N+]([O-])=O;c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2","InChI=1S/C16H14ClN5O5/c17-9-6-14(22(26)27)13(18-4-3-15(23)24)7-11(9)19-8-1-2-10-12(5-8)21-16(25)20-10/h1-2,5-7,18-19H,3-4H2,(H,23,24)(H2,20,21,25)","N-(4-chloro-2-nitro-5-((2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)amino)phenyl)-beta-alanine","2017-03-09","2021-03-13","3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid","2017-08-16"],["KKS","3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one","C23 H17 N5 O2","c5cc4cccc(CC=1C=C(O)C(NC=1c2ccc(cc2)c3nnnn3)=O)c4cc5;OC1=CC(=C(NC1=O)c2ccc(cc2)c3[nH]nnn3)Cc4cccc5ccccc45;c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5","InChI=1S/C23H17N5O2/c29-20-13-18(12-17-6-3-5-14-4-1-2-7-19(14)17)21(24-23(20)30)15-8-10-16(11-9-15)22-25-27-28-26-22/h1-11,13,29H,12H2,(H,24,30)(H,25,26,27,28)","","2019-01-02","2019-04-26","3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one","2019-05-01"],["KKT","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbutane-1-sulfonamide","C16 H22 N4 O4 S","O=S(=O)(N(C1=C(N)N(C(=O)NC1=O)Cc2ccccc2)C)CCCC;CCCC[S](=O)(=O)N(C)C1=C(N)N(Cc2ccccc2)C(=O)NC1=O;CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N","InChI=1S/C16H22N4O4S/c1-3-4-10-25(23,24)19(2)13-14(17)20(16(22)18-15(13)21)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3,(H,18,21,22)","","2012-07-30","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbutane-1-sulfonamide","2012-10-26"],["80M","sulfonato-thiacalix[4]arene","C24 H16 O16 S8","Oc1c2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc1cc(c2)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O;c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O","InChI=1S/C24H16O16S8/c25-21-13-1-9(45(29,30)31)2-14(21)42-17-5-11(47(35,36)37)6-18(23(17)27)44-20-8-12(48(38,39)40)7-19(24(20)28)43-16-4-10(46(32,33)34)3-15(41-13)22(16)26/h1-8,25-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)","","2021-09-21","2022-08-22","","2022-03-02"],["KKU","4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine","C10 H17 N3","Cc1cc(CCCNC)nc(N)c1;CNCCCc1cc(C)cc(N)n1;Cc1cc(nc(c1)N)CCCNC","InChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13)","","2022-02-04","2022-07-08","4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine","2022-07-13"],["80N"," (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol","C15 H24 O","CC1=CC[CH](O)C(=CCC(C)(C)C=CC1)C;CC1=CCC(C(=CCC(C=CC1)(C)C)C)O","InChI=1S/C15H24O/c1-12-6-5-10-15(3,4)11-9-13(2)14(16)8-7-12/h5,7,9-10,14,16H,6,8,11H2,1-4H3/b10-5+,12-7+,13-9+/t14-/m1/s1","","2022-03-02","2023-03-31","(1~{R},2~{E},6~{E},9~{E})-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol","2023-04-05"],["KKV","4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid","C18 H12 F N O4","O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F;OC(=O)c1ccc(cc1)C2=C(NC(=O)C(=C2)O)c3ccc(F)cc3;c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O","InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)","","2019-01-02","2019-04-26","4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid","2019-05-01"],["80O","N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide","C20 H24 N4 O3","O=C(NC(=[N@H])Cc1cccc(OC)c1)c2c(nccc2)OC3CCNCC3;COc1cccc(CC(=N)NC(=O)c2cccnc2OC3CCNCC3)c1;COc1cccc(c1)CC(=N)NC(=O)c2cccnc2OC3CCNCC3","InChI=1S/C20H24N4O3/c1-26-16-5-2-4-14(12-16)13-18(21)24-19(25)17-6-3-9-23-20(17)27-15-7-10-22-11-8-15/h2-6,9,12,15,22H,7-8,10-11,13H2,1H3,(H2,21,24,25)","","2013-10-10","2016-01-29","N-[(1Z)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)pyridine-3-carboxamide","2016-02-03"],["KKW","[(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone","C22 H23 Cl N4 O S","Clc1cccc(c1)[CH]2CN[CH](C2)C(=O)N3CCN(CC3)c4nccc5ccsc45;c1cc(cc(c1)Cl)C2CC(NC2)C(=O)N3CCN(CC3)c4c5c(ccn4)ccs5","InChI=1S/C22H23ClN4OS/c23-18-3-1-2-16(12-18)17-13-19(25-14-17)22(28)27-9-7-26(8-10-27)21-20-15(4-6-24-21)5-11-29-20/h1-6,11-12,17,19,25H,7-10,13-14H2/t17-,19-/m1/s1","","2022-05-26","2022-09-16","[(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone","2022-09-21"],["80P","(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide","C28 H32 F3 N3 O7","NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F;CCN(CC)[CH]1[CH]2C[CH]3Cc4c(c(O)cc([CH]5CCCN5)c4C(F)(F)F)C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O;CCN(CC)C1C2CC3Cc4c(c(cc(c4C(F)(F)F)C5CCCN5)O)C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O","InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1","TP-6076","2021-08-25","2022-01-28","(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide","2022-02-02"],["80Q","2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine","C11 H13 F3 N2 O","FC(F)(F)c1ccc(OC2CCNCC2)nc1;c1cc(ncc1C(F)(F)F)OC2CCNCC2","InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2","","2016-03-12","2016-03-25","2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine","2016-03-30"],["KKX","(2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid","C17 H28 N3 O10 P","CC(=O)N[CH](CC[CH](O)[CH](CO)NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(CCC(C(=O)O)NC(=O)C)O)O","InChI=1S/C17H28N3O10P/c1-9-16(24)12(11(5-18-9)8-30-31(27,28)29)6-19-14(7-21)15(23)4-3-13(17(25)26)20-10(2)22/h5,13-15,19,21,23-24H,3-4,6-8H2,1-2H3,(H,20,22)(H,25,26)(H2,27,28,29)/t13-,14-,15-/m0/s1","PLP-(5S,6S)-N2-acetyl-DADH","2022-09-27","2023-02-17","(2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid","2023-02-22"],["80R","5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one","C13 H9 Cl N4 O3","[O-][N+](=O)c1ccc(Nc2ccc3NC(=O)Nc3c2)c(Cl)c1;c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2","InChI=1S/C13H9ClN4O3/c14-9-6-8(18(20)21)2-4-10(9)15-7-1-3-11-12(5-7)17-13(19)16-11/h1-6,15H,(H2,16,17,19)","","2017-03-09","2017-08-11","5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one","2017-08-16"],["KKY","6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C21 H28 F N3","c3(cc(CCC1N(CCC1)C)cc(CCc2cc(cc(N)n2)C)c3)F;CN1CCC[CH]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3C","InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m1/s1","","2019-01-02","2019-03-08","6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["KKZ","[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone","C25 H21 Cl F3 N5 O2","FC(F)(F)Oc1cccc(n1)C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Cl)cc5;c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl","InChI=1S/C25H21ClF3N5O2/c26-18-9-7-17(8-10-18)23-20(34-11-2-1-5-21(34)31-23)16-32-12-14-33(15-13-32)24(35)19-4-3-6-22(30-19)36-25(27,28)29/h1-11H,12-16H2","","2019-06-03","2019-08-02","[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone","2019-08-07"],["80S","2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid","C22 H17 Cl2 N3 O4 S","C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4;Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OC(C)c4ccccc4)Cl)Cl","InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m0/s1","","2021-09-21","2022-09-23","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{S})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid","2022-09-28"],["80T","[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propan-2-yl] (Z)-octadec-9-enoate","C77 H146 O17 P2","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t72-,73-/m1/s1","","2023-03-15","2023-08-11","[(2~{R})-1-hexadecanoyloxy-3-[[3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate","2023-08-16"],["KL0","6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine","C11 H19 N3","Cc1cc(CCCN(C)C)nc(N)c1;CN(C)CCCc1cc(C)cc(N)n1;Cc1cc(nc(c1)N)CCCN(C)C","InChI=1S/C11H19N3/c1-9-7-10(13-11(12)8-9)5-4-6-14(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13)","","2022-02-04","2022-07-08","6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine","2022-07-13"],["80U","1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one","C24 H25 Cl N8 O2","Cn1ccnc1COc2ccc(cc2Cl)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35;Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C=C)N","InChI=1S/C24H25ClN8O2/c1-3-20(34)32-9-4-5-16(12-32)33-24-21(23(26)28-14-29-24)22(30-33)15-6-7-18(17(25)11-15)35-13-19-27-8-10-31(19)2/h3,6-8,10-11,14,16H,1,4-5,9,12-13H2,2H3,(H2,26,28,29)/t16-/m1/s1","","2017-03-10","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one","2017-04-02"],["KL1","6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H25 F2 N3","c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F)F;CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C","InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23)","","2019-01-02","2019-03-08","6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["KL2","adenosine-2',3'-vanadate","C10 H14 N5 O7 V","Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[V](O)(O)(O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)O[V](O4)(O)(O)O)N","InChI=1S/C10H11N5O4.3H2O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,16H,1H2,(H2,11,12,13);3*1H2;/q-2;;;;+5/p-3/t4-,6-,7-,10-;;;;/m1..../s1","[(1~{R},5~{R},6~{R},8~{R})-8-(6-aminopurin-9-yl)-3,3,3-tris(oxidanyl)-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methanol","2019-06-03","2021-03-13","[(1~{R},5~{R},6~{R},8~{R})-8-(6-aminopurin-9-yl)-3,3,3-tris(oxidanyl)-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methanol","2020-05-20"],["80V","4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid","C23 H22 F N O6 S","FS(=O)(=O)Oc1ccc(cc1)C#Cc1ccc2c(c1)C(C)(C)CCN2C(=O)CCC(=O)O;CC1(C)CCN(C(=O)CCC(O)=O)c2ccc(cc12)C#Cc3ccc(O[S](F)(=O)=O)cc3;CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C","InChI=1S/C23H22FNO6S/c1-23(2)13-14-25(21(26)11-12-22(27)28)20-10-7-17(15-19(20)23)4-3-16-5-8-18(9-6-16)31-32(24,29)30/h5-10,15H,11-14H2,1-2H3,(H,27,28)","","2021-08-25","2024-09-27","4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid","2021-12-15"],["KL3","(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid","C17 H15 Cl O2","Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O;OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3;c1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl","InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1","","2023-05-05","2023-06-09","(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid","2023-06-14"],["80W","6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione","C9 H8 O3","CC1=CC(=O)C(=CC(=O)C1=C)O;CC1=CC(=O)C(=CC(=O)C1=C)O","InChI=1S/C9H8O3/c1-5-3-8(11)9(12)4-7(10)6(5)2/h3-4,12H,2H2,1H3","","2022-03-02","2023-03-31","6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione","2023-04-05"],["80X","N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide","C14 H16 Cl N3 O3","CC(=O)N1CCNC(=O)[CH]1CC(=O)Nc2cccc(Cl)c2;CC(=O)N1CCNC(=O)C1CC(=O)Nc2cccc(c2)Cl","InChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1","","2021-11-09","2022-02-25","~{N}-(3-chlorophenyl)-2-[(2~{R})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide","2022-03-02"],["KL4","6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C20 H26 F N3","c1(nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3NCCC3)N;Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3CCCN3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3","InChI=1S/C20H26FN3/c1-14-9-19(24-20(22)10-14)7-5-16-11-15(12-17(21)13-16)4-6-18-3-2-8-23-18/h9-13,18,23H,2-8H2,1H3,(H2,22,24)/t18-/m1/s1","","2019-01-02","2019-03-08","6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["KL5","1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea","C15 H16 B N2 O3 S","O[B-]1(O)OCc2ccc(NC(=S)NCc3ccccc3)cc12;[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O","InChI=1S/C15H16BN2O3S/c19-16(20)14-8-13(7-6-12(14)10-21-16)18-15(22)17-9-11-4-2-1-3-5-11/h1-8,19-20H,9-10H2,(H2,17,18,22)/q-1","","2019-06-03","2019-10-18","1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea","2019-08-28"],["80Y","2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate","C8 H18 N O9 P","NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(COP(=O)(O)OCC1C(C(C(C(O1)O)O)O)O)N","InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1","","2023-03-15","2024-09-27","2-azanylethyl [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate","2023-08-16"],["KL6","1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide","C12 H19 N3 O4 S2","NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1;C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O;CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N","InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)","","2023-08-14","2023-11-03","1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide","2023-11-08"],["80Z","1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide","C29 H34 N4 O4","CNC(=O)[CH](C1CCOCC1)N(C[CH](c2ccccc2)c3ccccn3)C(=O)C4=CN(C)C(=O)C(=C4)C;CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccn3)C(C4CCOCC4)C(=O)NC","InChI=1S/C29H34N4O4/c1-20-17-23(18-32(3)28(20)35)29(36)33(26(27(34)30-2)22-12-15-37-16-13-22)19-24(21-9-5-4-6-10-21)25-11-7-8-14-31-25/h4-11,14,17-18,22,24,26H,12-13,15-16,19H2,1-3H3,(H,30,34)/t24-,26-/m1/s1","","2021-09-21","2022-08-22","1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide","2021-10-13"],["KL7","6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H25 F2 N3","CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F;CN(C)CCCc1ccc(F)c(CCc2cc(C)cc(N)n2)c1F;Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F","InChI=1S/C19H25F2N3/c1-13-11-15(23-18(22)12-13)7-8-16-17(20)9-6-14(19(16)21)5-4-10-24(2)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,22,23)","","2019-01-02","2019-03-08","6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["810","ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate","C13 H14 N6 O3","O=C1NC(=Nc3c1cc2nc(nc2c3)NC)NC(=O)OCC;CCOC(=O)NC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1;CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC","InChI=1S/C13H14N6O3/c1-3-22-13(21)19-12-15-7-5-9-8(16-11(14-2)17-9)4-6(7)10(20)18-12/h4-5H,3H2,1-2H3,(H2,14,16,17)(H2,15,18,19,20,21)","","2016-04-20","2017-05-05","ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate","2017-05-10"],["811","2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid","C28 H22 Cl3 N3 O5","OC(=O)c1ccnc(c1)N2CC(O)(C2)c3ccc(OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6)cc3Cl;c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl","InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)","Cilofexor","2021-11-10","2022-03-11","2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid","2022-03-16"],["KL8","(3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid","C16 H16 B O5 S","OC(=O)c1cccc2C[CH](SCc3ccccc3)[B-](O)(O)Oc12;[B-]1(C(Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O","InChI=1S/C16H16BO5S/c18-16(19)13-8-4-7-12-9-14(17(20,21)22-15(12)13)23-10-11-5-2-1-3-6-11/h1-8,14,20-21H,9-10H2,(H,18,19)/q-1/t14-/m1/s1","","2019-06-04","2024-09-27","(4~{S})-3,3-bis(oxidanyl)-4-(phenylmethylsulfanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid","2020-03-25"],["812","N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline","C18 H22 N2 O","O(c2ccc(NCc1ccccc1)cc2)CC3NCCC3;C1CN[CH](C1)COc2ccc(NCc3ccccc3)cc2;c1ccc(cc1)CNc2ccc(cc2)OCC3CCCN3","InChI=1S/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/m1/s1","","2009-01-20","2011-06-04","N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline",""],["KL9","7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide","C23 H27 N5 O S","Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1CC2CCC(N2)C1;Cc1cnc2c(N)c(sc2n1)C(=O)NCCc3ccc(cc3)[CH]4C[CH]5CC[CH](C4)N5;Cc1cnc2c(c(sc2n1)C(=O)NCCc3ccc(cc3)C4CC5CCC(C4)N5)N","InChI=1S/C23H27N5OS/c1-13-12-26-20-19(24)21(30-23(20)27-13)22(29)25-9-8-14-2-4-15(5-3-14)16-10-17-6-7-18(11-16)28-17/h2-5,12,16-18,28H,6-11,24H2,1H3,(H,25,29)/t16-,17-,18+","","2022-02-04","2023-02-10","7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide","2023-02-15"],["KLA","6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C20 H25 F2 N3","c1(N)nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3CC(CN3)F;Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3C[CH](F)CN3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC(CN3)F","InChI=1S/C20H25F2N3/c1-13-6-19(25-20(23)7-13)5-3-15-8-14(9-16(21)10-15)2-4-18-11-17(22)12-24-18/h6-10,17-18,24H,2-5,11-12H2,1H3,(H2,23,25)/t17-,18+/m0/s1","","2019-01-02","2019-03-08","6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["813","(1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one","C24 H32 O4","CC1=CCC(C)(C)C=CC[C]2(C)OC3=C(C[CH]2C[CH]1O)C(=CC(=O)C(=C3)O)C;CC1=CCC(C=CCC2(C(CC1O)CC3=C(O2)C=C(C(=O)C=C3C)O)C)(C)C","InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6+,15-7-/t17-,19-,24-/m0/s1","","2022-03-02","2023-03-31","(1~{S},11~{S},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-3(9),4,7,14,18-pentaen-6-one","2023-04-05"],["814","[(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate","C35 H44 N2 O9","CO[CH]1C[CH](C)CC2=C(OC)C(=O)C(=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O)c3ccccc3;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C35H44N2O9/c1-19-16-24-30(39)28(27(31(40)33(24)45-7)23-13-9-8-10-14-23)37-34(41)20(2)12-11-15-25(43-5)32(46-35(36)42)22(4)18-21(3)29(38)26(17-19)44-6/h8-15,18-19,21,25-26,29,32,38H,16-17H2,1-7H3,(H2,36,42)(H,37,41)/b15-11-,20-12+,22-18+/t19-,21-,25+,26+,29-,32-/m1/s1","","2012-05-01","2012-09-12","[(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate","2013-04-03"],["KLB","5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide","C14 H12 N4 S","NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(sc2c3cnc[nH]3)C(=N)N","InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)","","2019-06-05","2020-06-12","5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["KLC","(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one","C24 H44 O8","CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)CCC[CH](OC)[CH](O)C(=O)O1)OC;CCC(CO)C=C(C)C1CC(CC(C(C(CCCC(C(C(=O)O1)O)OC)O)(C)C)O)OC","InChI=1S/C24H44O8/c1-7-16(14-25)11-15(2)19-12-17(30-5)13-21(27)24(3,4)20(26)10-8-9-18(31-6)22(28)23(29)32-19/h11,16-22,25-28H,7-10,12-14H2,1-6H3/b15-11-/t16-,17-,18-,19+,20+,21+,22+/m1/s1","","2022-05-30","2022-12-09","(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one","2022-12-14"],["815","THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE","C21 H19 N5 O3 S2","O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5;Nc1nccc2ccc(CN3CC[CH](N[S](=O)(=O)c4sc5cccnc5c4)C3=O)cc12;c1cc2c(cc(s2)S(=O)(=O)NC3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1","InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1","RPR208815","2000-05-22","2021-03-01","N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide",""],["816","1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one","C26 H26 Cl N7 O2","Cc1cccc(COc2ccc(cc2Cl)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35)n1;Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C=C)N","InChI=1S/C26H26ClN7O2/c1-3-22(35)33-11-5-8-19(13-33)34-26-23(25(28)29-15-30-26)24(32-34)17-9-10-21(20(27)12-17)36-14-18-7-4-6-16(2)31-18/h3-4,6-7,9-10,12,15,19H,1,5,8,11,13-14H2,2H3,(H2,28,29,30)/t19-/m1/s1","","2017-03-15","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one","2017-09-06"],["KLD","6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C21 H27 F2 N3","c1(cc(cc(c1)CCc2cc(cc(n2)N)C)CCC3CC(CN3C)F)F;CN1C[CH](F)C[CH]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC(CN3C)F","InChI=1S/C21H27F2N3/c1-14-7-19(25-21(24)8-14)5-3-15-9-16(11-17(22)10-15)4-6-20-12-18(23)13-26(20)2/h7-11,18,20H,3-6,12-13H2,1-2H3,(H2,24,25)/t18-,20+/m0/s1","","2019-01-02","2019-03-08","6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["KLE","5-phenylthiophene-2-carboximidamide","C11 H10 N2 S","NC(=N)c1sc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(s2)C(=N)N","InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)","","2019-06-05","2020-06-12","5-phenylthiophene-2-carboximidamide","2020-06-17"],["817","1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE","C10 H11 F3 N4 S","FC(F)(F)c1cccc(c1)CSC(=[N@H])NC(=[N@H])N;NC(=N)NC(=N)SCc1cccc(c1)C(F)(F)F;[H]N=C(N)NC(=N[H])SCc1cccc(c1)C(F)(F)F","InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17)","3-(TRIFLUOROMETHYL)BENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE","2005-08-29","2020-06-17","3-(trifluoromethyl)benzyl N-carbamimidoylimidothiocarbamate",""],["KLF","(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide","C5 H10 N2 O2","NC(=O)[CH]1C[CH](O)CN1;C1C(CNC1C(=O)N)O","InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1","","2022-09-27","2025-10-28","(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide","2022-10-19"],["818","18-HYDROXYASCOMYCIN","C43 H69 N O13","O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(C(O)C(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC;CC[CH]1C=C(C)[CH](O)[CH](C)C[CH](OC)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](O)[CH](C4)OC;CCC1C=C(C(C(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)O)C","InChI=1S/C43H69NO13/c1-10-29-18-23(2)37(48)24(3)19-35(54-8)39-36(55-9)20-26(5)43(52,57-39)40(49)41(50)44-16-12-11-13-30(44)42(51)56-38(27(6)32(46)22-33(29)47)25(4)17-28-14-15-31(45)34(21-28)53-7/h17-18,24,26-32,34-39,45-46,48,52H,10-16,19-22H2,1-9H3/b23-18+,25-17+/t24-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36+,37-,38-,39-,43-/m1/s1","L-685,818","1999-07-08","2020-06-17","(3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,11,19-trihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",""],["KLG","N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide","C10 H14 N2 O4 S","O=C(NO)CNS(=O)(=O)CCc1ccccc1;ONC(=O)CN[S](=O)(=O)CCc1ccccc1;c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO","InChI=1S/C10H14N2O4S/c13-10(12-14)8-11-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)","","2011-05-05","2012-06-29","N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide",""],["819","ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate","C21 H24 N4 O4 S","O=C(OCC)NCc3ccc(n1c(nnc1S)c2cc(c(O)cc2O)C(C)C)cc3;CCOC(=O)NCc1ccc(cc1)n2c(S)nnc2c3cc(C(C)C)c(O)cc3O;CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C","InChI=1S/C21H24N4O4S/c1-4-29-21(28)22-11-13-5-7-14(8-6-13)25-19(23-24-20(25)30)16-9-15(12(2)3)17(26)10-18(16)27/h5-10,12,26-27H,4,11H2,1-3H3,(H,22,28)(H,24,30)","","2009-05-21","2011-06-04","ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate",""],["81A","2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER","C20 H25 N3 O7 S2","O=S(=O)(c1ccccc1S(=O)(=O)Oc3cc(cc(OCC2(CONC(=[N@H])N)CC2)c3)C)C;Cc1cc(OCC2(CC2)CONC(N)=N)cc(O[S](=O)(=O)c3ccccc3[S](C)(=O)=O)c1;[H]N=C(N)NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C","InChI=1S/C20H25N3O7S2/c1-14-9-15(28-12-20(7-8-20)13-29-23-19(21)22)11-16(10-14)30-32(26,27)18-6-4-3-5-17(18)31(2,24)25/h3-6,9-11H,7-8,12-13H2,1-2H3,(H4,21,22,23)","","2005-02-02","2011-06-04","3-({1-[(carbamimidamidooxy)methyl]cyclopropyl}methoxy)-5-methylphenyl 2-(methylsulfonyl)benzenesulfonate",""],["KLH","N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide","C13 H18 N2 O4 S","O=C(NO)C2N(S(=O)(=O)CCc1ccccc1)CCC2;ONC(=O)[CH]1CCCN1[S](=O)(=O)CCc2ccccc2;c1ccc(cc1)CCS(=O)(=O)N2CCCC2C(=O)NO","InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1","","2011-05-05","2012-06-29","N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide",""],["81B","(cyclopentylamino)(oxo)acetic acid","C7 H11 N O3","C(O)(C(NC1CCCC1)=O)=O;OC(=O)C(=O)NC1CCCC1;C1CCC(C1)NC(=O)C(=O)O","InChI=1S/C7H11NO3/c9-6(7(10)11)8-5-3-1-2-4-5/h5H,1-4H2,(H,8,9)(H,10,11)","","2018-02-23","2019-01-25","(cyclopentylamino)(oxo)acetic acid","2019-01-30"],["KLI","3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one","C31 H26 F5 N5 O2","FC(F)(F)c1ccc(c(F)c1)CN4c6c(C(=O)C(c2nc(on2)Cc3ccccc3)=C4)cc(F)c(N5CCN(C)CC5)c6;CN1CCN(CC1)c2cc3N(Cc4ccc(cc4F)C(F)(F)F)C=C(C(=O)c3cc2F)c5noc(Cc6ccccc6)n5;CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6","InChI=1S/C31H26F5N5O2/c1-39-9-11-40(12-10-39)27-16-26-22(15-25(27)33)29(42)23(30-37-28(43-38-30)13-19-5-3-2-4-6-19)18-41(26)17-20-7-8-21(14-24(20)32)31(34,35)36/h2-8,14-16,18H,9-13,17H2,1H3","","2011-11-02","2011-12-16","3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one",""],["KLJ","N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide","C11 H16 N2 O5 S","O=C(NO)CNS(=O)(=O)CCc1ccc(OC)cc1;COc1ccc(CC[S](=O)(=O)NCC(=O)NO)cc1;COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO","InChI=1S/C11H16N2O5S/c1-18-10-4-2-9(3-5-10)6-7-19(16,17)12-8-11(14)13-15/h2-5,12,15H,6-8H2,1H3,(H,13,14)","","2011-05-05","2012-06-29","N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide",""],["81C","N-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide","C29 H36 Cl N7 O4 S","CCN1CCN(CC1)c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)C(C)C)n3)cc2NC(=O)C=C;CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC","InChI=1S/C29H36ClN7O4S/c1-6-27(38)32-22-16-23(25(41-5)17-24(22)37-14-12-36(7-2)13-15-37)34-29-31-18-20(30)28(35-29)33-21-10-8-9-11-26(21)42(39,40)19(3)4/h6,8-11,16-19H,1,7,12-15H2,2-5H3,(H,32,38)(H2,31,33,34,35)","","2017-03-15","2024-09-27","~{N}-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide","2017-09-06"],["KLK","~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C12 H16 N2 O2","CNC(=O)c1[nH]c(C)c2C(=O)CCCCc12;Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O","InChI=1S/C12H16N2O2/c1-7-10-8(5-3-4-6-9(10)15)11(14-7)12(16)13-2/h14H,3-6H2,1-2H3,(H,13,16)","","2019-06-05","2020-12-04","~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["81D","(S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol","C20 H24 B Cl N6 O10 P","NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCO)ccc(Cl)c16;[B-]12(c3c(ccc(c3C(O1)CN)Cl)OCCO)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)(O)O","InChI=1S/C20H24BClN6O10P/c22-9-1-2-10(33-4-3-29)14-13(9)11(5-23)36-21(14)37-16-12(6-34-39(30,31)32)35-20(17(16)38-21)28-8-27-15-18(24)25-7-26-19(15)28/h1-2,7-8,11-12,16-17,20,29H,3-6,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/t11-,12-,16-,17-,20-,21+/m1/s1","[(1R,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate","2021-09-21","2023-01-13","[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate","2023-01-18"],["81E","(1R,3S,5E,7S,11R,13E,15E,17E,19E,21R,23S,24R,25S)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one","C27 H40 O8","C[CH]1CC=CC=CC=CC=C[CH](O)C[CH]2O[C](O)(C[CH](O)CC=C[CH](O)CC(=O)O1)C[CH](O)[CH]2C;CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC=CC(CC(=O)O1)O)O)O)O)C)O","InChI=1S/C27H40O8/c1-19-11-8-6-4-3-5-7-9-12-21(28)15-25-20(2)24(31)18-27(33,35-25)17-23(30)14-10-13-22(29)16-26(32)34-19/h3-10,12-13,19-25,28-31,33H,11,14-18H2,1-2H3/b4-3+,7-5+,8-6+,12-9+,13-10+/t19-,20-,21+,22-,23+,24+,25+,27-/m1/s1","","2021-11-10","2022-01-14","(1~{R},3~{S},5~{E},7~{S},11~{R},13~{E},15~{E},17~{E},19~{E},21~{R},23~{S},24~{R},25~{S})-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one","2022-01-19"],["KLM","8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione","C26 H28 N6 O4","CN(C)CC(COc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc2cc3)n4)cc5)O;CN(C)C[CH](O)COc1ccc(Nc2ncc3NC(=O)C(=O)N(c4ccc5CCCc5c4)c3n2)cc1;CN(C)CC(COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O","InChI=1S/C26H28N6O4/c1-31(2)14-20(33)15-36-21-10-7-18(8-11-21)28-26-27-13-22-23(30-26)32(25(35)24(34)29-22)19-9-6-16-4-3-5-17(16)12-19/h6-13,20,33H,3-5,14-15H2,1-2H3,(H,29,34)(H,27,28,30)/t20-/m0/s1","","2019-01-02","2019-03-08","8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione","2019-03-13"],["81F","1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine","C22 H28 Br N3","Cc1cccc(c1)C4CCC(N2CCN(CC2)c3cc(cnc3)Br)CC4;Cc1cccc(c1)[CH]2CC[CH](CC2)N3CCN(CC3)c4cncc(Br)c4;Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br","InChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+","","2020-09-16","2020-12-04","1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine","2020-12-09"],["KLN","1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE","C26 H28 Cl2 N4 O4","O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3cncc3)cc4)CC5)C;CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2;CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl","InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1","","2007-05-15","2011-06-04","1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine",""],["KLO","5-(phenylmethyl)pyrimidine-2,4-diol","C11 H10 N2 O2","Oc1ncc(Cc2ccccc2)c(O)n1;c1ccc(cc1)Cc2cnc(nc2O)O","InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)","","2022-05-30","2023-09-08","5-(phenylmethyl)pyrimidine-2,4-diol","2023-09-13"],["81G","(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one","C21 H21 F N4 O2 S","n5ncc(c1sc4c(c1)NC2(CCC(CC2)(O)c3ccc(cc3)F)NC4=O)c5C;Cc1[nH]ncc1c2sc3C(=O)N[C]4(CC[C](O)(CC4)c5ccc(F)cc5)Nc3c2;Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O","InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+","","2016-12-14","2017-03-24","(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one","2017-03-29"],["81H","(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol","C22 H14 F7 N5 O2","OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)c1ccc(OC(F)(F)F)cc1;O[C](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OC(F)(F)F)cc4;c1cc(ccc1c2ccc(nc2)C(C(Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F","InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m0/s1","","2021-08-30","2021-09-03","(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol","2021-09-08"],["KLP","N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide","C21 H22 N4 O3 S","CS(=O)(=O)NC4=CC3=CC=1C(N=NC=1NCc2c(cccc2C)C)=C3C=C4OC;COC1=CC2=C3N=NC(=C3C=C2C=C1N[S](C)(=O)=O)NCc4c(C)cccc4C;Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C","InChI=1S/C21H22N4O3S/c1-12-6-5-7-13(2)17(12)11-22-21-16-8-14-9-18(25-29(4,26)27)19(28-3)10-15(14)20(16)23-24-21/h5-10,25H,11H2,1-4H3,(H,22,24)","","2019-01-02","2019-03-08","N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide","2019-03-13"],["KLQ","Bictegravir","C21 H18 F3 N3 O5","OC1=C2N(C[CH]3O[CH]4CC[CH](C4)N3C2=O)C=C(C(=O)NCc5c(F)cc(F)cc5F)C1=O;c1c(cc(c(c1F)CNC(=O)C2=CN3CC4N(C5CCC(C5)O4)C(=O)C3=C(C2=O)O)F)F","InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1","","2019-06-06","2020-01-31","","2020-02-05"],["81I","(4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one","C25 H24 F N3 O3","Fc1ccc(cc1)c2ccc(cc2)N3C[CH](CC3=O)N4CCN(CC4)C(=O)c5occc5;c1cc(oc1)C(=O)N2CCN(CC2)C3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F","InChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1","","2021-09-22","2022-08-22","(4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one","2022-02-16"],["81J","4-ethoxybenzoic acid","C9 H10 O3","C(O)(c1ccc(OCC)cc1)=O;CCOc1ccc(cc1)C(O)=O;CCOc1ccc(cc1)C(=O)O","InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)","","2016-12-14","2018-06-08","4-ethoxybenzoic acid","2018-06-13"],["KLR","(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide","C20 H24 N4 O","CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1;CC(C)(C)NC(=O)[CH](Nc1ccc(CCC#N)cc1)c2cccnc2;CC(C)(C)NC(=O)C(c1cccnc1)Nc2ccc(cc2)CCC#N","InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1","","2023-08-14","2023-11-03","(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide","2023-11-08"],["KLS","1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA","C9 H12 N4 O","O=C(NC)NC(=[N@H])Nc1ccccc1;CNC(=O)NC(=N)Nc1ccccc1;CNC(=O)NC(=N)Nc1ccccc1","InChI=1S/C9H12N4O/c1-11-9(14)13-8(10)12-7-5-3-2-4-6-7/h2-6H,1H3,(H4,10,11,12,13,14)","","2010-10-26","2011-06-04","1-methyl-3-(N-phenylcarbamimidoyl)urea",""],["81K","(Z)-hexadec-9-enal","C16 H30 O","CCCCCCC=CCCCCCCCC=O;CCCCCCC=CCCCCCCCC=O","InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-","","2021-11-11","2022-01-28","(~{Z})-hexadec-9-enal","2022-02-02"],["81L","N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C27 H40 N4 O6","CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)(C)C(C(=O)NC(CC1CC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3","InChI=1S/C27H40N4O6/c1-27(2,3)22(31-26(36)37-16-18-7-5-4-6-8-18)25(35)30-21(13-17-9-10-17)24(34)29-20(15-32)14-19-11-12-28-23(19)33/h4-8,17,19-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22+/m0/s1","","2021-08-31","2024-09-27","N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2022-07-20"],["KLT","2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide","C14 H11 Cl N2 O4 S","O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2;N[S](=O)(=O)c1cc(ccc1Cl)[C]2(O)NC(=O)c3ccccc23;c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O","InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1","chlorthalidone","2008-11-11","2020-06-17","2-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide",""],["KLU","(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide","C11 H11 Cl N2 O3","ClCC(=O)N1CC(Oc2ccccc21)C(N)=O;NC(=O)[CH]1CN(C(=O)CCl)c2ccccc2O1;c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CCl","InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1","","2022-02-04","2024-09-27","(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide","2023-02-15"],["81M","4-(ethylsulfanyl)benzoic acid","C9 H10 O2 S","C(O)(c1ccc(SCC)cc1)=O;CCSc1ccc(cc1)C(O)=O;CCSc1ccc(cc1)C(=O)O","InChI=1S/C9H10O2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)","","2016-12-14","2018-06-08","4-(ethylsulfanyl)benzoic acid","2018-06-13"],["KLV","4-methylumbelliferyl phosphate","C10 H9 O6 P","O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2;CC1=CC(=O)Oc2cc(O[P](O)(O)=O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O","InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)","4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate","2013-05-08","2021-03-01","4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate","2013-05-22"],["81N","2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid","C22 H17 Cl2 N3 O4 S","C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4;Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OC(C)c4ccccc4)Cl)Cl","InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m1/s1","","2021-09-26","2022-09-23","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{R})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid","2022-09-28"],["KLW","2-carbamoylbenzoic acid","C8 H7 N O3","O=C(O)c1ccccc1C(=O)N;NC(=O)c1ccccc1C(O)=O;c1ccc(c(c1)C(=O)N)C(=O)O","InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)","","2013-05-08","2013-05-17","2-carbamoylbenzoic acid","2013-05-22"],["81O","5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid","C27 H26 F4 N2 O4","CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(C)ncc(C(O)=O)c3C;CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C","InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)","","2021-11-12","2022-02-04","5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid","2022-02-09"],["79O","8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one","C16 H8 Br Cl N2 O2","Clc4ccccc4C2=Nc1c3c(oc1C(=O)N2)ccc(Br)c3;Clc1ccccc1C2=Nc3c(oc4ccc(Br)cc34)C(=O)N2;c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl","InChI=1S/C16H8BrClN2O2/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)20-15(19-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,20,21)","","2012-03-05","2014-09-05","8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one","2013-01-11"],["KLX","(1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid","C20 H21 Cl O4","Clc1cccc(c1)OCC1CC(Oc2ccccc2)CCC1C(=O)O;OC(=O)[CH]1CC[CH](C[CH]1COc2cccc(Cl)c2)Oc3ccccc3;c1ccc(cc1)OC2CCC(C(C2)COc3cccc(c3)Cl)C(=O)O","InChI=1S/C20H21ClO4/c21-15-5-4-8-17(12-15)24-13-14-11-18(9-10-19(14)20(22)23)25-16-6-2-1-3-7-16/h1-8,12,14,18-19H,9-11,13H2,(H,22,23)/t14-,18+,19-/m1/s1","","2023-05-05","2023-06-09","(1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid","2023-06-14"],["79P","(2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","C32 H43 N5 O6","C[CH](CO)[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)[CH](C)NC(=O)CN4CCOCC4;CC(CO)C(C(Cc1ccccc1)NC(=O)C(Cc2c[nH]c3c2cccc3)NC(=O)C(C)NC(=O)CN4CCOCC4)O","InChI=1S/C32H43N5O6/c1-21(20-38)30(40)27(16-23-8-4-3-5-9-23)35-32(42)28(17-24-18-33-26-11-7-6-10-25(24)26)36-31(41)22(2)34-29(39)19-37-12-14-43-15-13-37/h3-11,18,21-22,27-28,30,33,38,40H,12-17,19-20H2,1-2H3,(H,34,39)(H,35,42)(H,36,41)/t21-,22-,27+,28+,30+/m1/s1","","2016-09-18","2024-09-27","(2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide","2016-11-09"],["KLY","6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine","C18 H20 F N3","c2(cc(CCc1cc(C)cc(N)n1)cc(c2)F)C#CCNC;CNCC#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC","InChI=1S/C18H20FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,5-7H2,1-2H3,(H2,20,22)","","2019-01-02","2019-03-08","6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["79Q","3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide","C35 H33 F N4 O4","Fc1ccc(Nc2ccc3C(=O)c4cc(ccc4CCc3c2)C(=O)NCCN5CCOCC5)cc1NC(=O)c6ccccc6;c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6","InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43)","","2016-09-19","2017-04-14","3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide","2017-04-19"],["KLZ","4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide","C10 H9 Cl N2 S2","NC(=N)c1sc2cc(CS)cc(Cl)c2c1;c1c(cc(c2c1sc(c2)C(=N)N)Cl)CS","InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)","","2019-06-06","2024-09-27","4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide","2020-06-17"],["79R","(~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide","C25 H26 N6 O2","C[CH]1CCCC[CH]1n2c(nc3cnc4[nH]ccc4c23)c5oc(cc5)C=C(C#N)C(=O)N(C)C;CC1CCCCC1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C=C(C#N)C(=O)N(C)C","InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12-/t15-,20+/m1/s1","","2016-09-19","2016-10-21","(~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide","2016-10-26"],["KM0","8-(benzyloxy)-5-chloroquinoline","C16 H12 Cl N O","Clc2ccc(OCc1ccccc1)c3ncccc23;Clc1ccc(OCc2ccccc2)c3ncccc13;c1ccc(cc1)COc2ccc(c3c2nccc3)Cl","InChI=1S/C16H12ClNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2","","2010-04-30","2012-02-24","8-(benzyloxy)-5-chloroquinoline",""],["KM1","5-chloro-8-[(3-chlorobenzyl)oxy]quinoline","C16 H11 Cl2 N O","Clc1cccc(c1)COc2ccc(Cl)c3cccnc23;Clc1cccc(COc2ccc(Cl)c3cccnc23)c1;c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl","InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2","","2010-04-30","2012-02-24","5-chloro-8-[(3-chlorobenzyl)oxy]quinoline",""],["79S","(2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide","C25 H28 N6 O2","C[CH]1CCCC[CH]1n2c(nc3cnc4[nH]ccc4c23)c5oc(C[CH](C#N)C(=O)N(C)C)cc5;CC1CCCCC1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)CC(C#N)C(=O)N(C)C","InChI=1S/C25H28N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-11,14-16,20H,4-7,12H2,1-3H3,(H,27,28)/t15-,16+,20+/m1/s1","","2016-09-19","2024-09-27","(2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide","2016-10-26"],["79T","2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide","C24 H24 N6 O2","CN(C)C(=O)C(=Cc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5)C#N;CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N","InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12-","","2016-09-19","2016-10-21","2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide","2016-10-26"],["KM2","7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide","C12 H16 N4 S","C[CH](CN)Nc1cccc2cc(sc12)C(N)=N;CC(CN)Nc1cccc2c1sc(c2)C(=N)N","InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1","","2019-06-07","2020-06-12","7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide","2020-06-17"],["KM3","{N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)","C26 H36 Fe N6 O2 S","O=C1NC2C(N1)C(SC2)CCCCC(NCCCC[N+]35[Fe]([n+]4ccccc4C3)[n+]6ccccc6C5)=O;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCCN3Cc4cccc[n+]4[Fe][n+]5ccccc5C3;c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Fe/c33-24(12-2-1-11-23-25-22(19-35-23)30-26(34)31-25)29-15-7-8-16-32(17-20-9-3-5-13-27-20)18-21-10-4-6-14-28-21;/h3-6,9-10,13-14,22-23,25H,1-2,7-8,11-12,15-19H2,(H,29,33)(H2,30,31,34);/q;+3/t22-,23-,25-;/m0./s1","","2020-01-31","2021-01-29","{N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)","2021-02-03"],["79U","4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid","C24 H17 Cl F3 N3 O4","CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)c4ccc(cc4)C(O)=O;CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F","InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)","","2016-09-19","2016-11-11","4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid","2016-11-16"],["79V","(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile","C17 H15 F N2 O","C(C1NC(C#N)C1c3ccc(c2c(cccc2)F)cc3)O;OC[CH]1N[CH](C#N)[CH]1c2ccc(cc2)c3ccccc3F;c1ccc(c(c1)c2ccc(cc2)C3C(NC3C#N)CO)F","InChI=1S/C17H15FN2O/c18-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17-/m0/s1","BRD4592","2016-09-19","2020-06-17","(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile","2017-05-31"],["KM5","methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate","C23 H28 N8 O3","CCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC;CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC","InChI=1S/C23H28N8O3/c1-3-30(13-16-12-26-20-18(27-16)19(24)28-23(25)29-20)17-6-4-14(5-7-17)21(32)31-10-8-15(9-11-31)22(33)34-2/h4-7,12,15H,3,8-11,13H2,1-2H3,(H4,24,25,26,28,29)","","2019-06-07","2020-07-10","methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate","2020-07-15"],["79W","3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE","C11 H10 O4 S","O=S2(=O)CC(=O)CC2c1cc(C=O)ccc1;O=Cc1cccc(c1)[CH]2CC(=O)C[S]2(=O)=O;c1cc(cc(c1)C2CC(=O)CS2(=O)=O)C=O","InChI=1S/C11H10O4S/c12-6-8-2-1-3-9(4-8)11-5-10(13)7-16(11,14)15/h1-4,6,11H,5,7H2/t11-/m0/s1","","2011-03-24","2011-10-28","3-[(2S)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde",""],["KM6","2-(4-chlorophenyl)-1,3,4-oxadiazole","C8 H5 Cl N2 O","Clc1ccc(cc1)c2ocnn2;c1cc(ccc1c2nnco2)Cl","InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H","","2022-09-27","2024-09-27","2-(4-chlorophenyl)-1,3,4-oxadiazole","2023-09-27"],["KM7","6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H22 F N3","c2(cc(C)cc(CCc1cc(F)cc(c1)C#CCN(C)C)n2)N;CN(C)CC#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C","InChI=1S/C19H22FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,6-8H2,1-3H3,(H2,21,22)","","2019-01-03","2019-03-08","6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["79X","2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one","C17 H13 N O4","O=C3c4c(c2cc1c(ccc(O)c1)n23)cc(OC)c(OC)c4;COc1cc2C(=O)n3c4ccc(O)cc4cc3c2cc1OC;COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O","InChI=1S/C17H13NO4/c1-21-15-7-11-12(8-16(15)22-2)17(20)18-13-4-3-10(19)5-9(13)6-14(11)18/h3-8,19H,1-2H3","","2010-09-22","2011-06-04","2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one",""],["KM8","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide","C14 H15 N3 O S","CCC(=O)Nc1cccc(c1)c2csc(c2)C(N)=N;CCC(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N","InChI=1S/C14H15N3OS/c1-2-13(18)17-11-5-3-4-9(6-11)10-7-12(14(15)16)19-8-10/h3-8H,2H2,1H3,(H3,15,16)(H,17,18)","","2019-06-07","2024-09-27","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide","2020-06-17"],["79Y","N-(2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1H-imidazole-2-carboxamide","C18 H19 N5 O4 S2","C1N(S(C)(=O)=O)CC(OC1)c2csc(n2)c3c(cccc3)NC(c4nccn4)=O;C[S](=O)(=O)N1CCO[CH](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4;CS(=O)(=O)N1CCOC(C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4","InChI=1S/C18H19N5O4S2/c1-29(25,26)23-8-9-27-15(10-23)14-11-28-18(22-14)12-4-2-3-5-13(12)21-17(24)16-19-6-7-20-16/h2-7,11,15H,8-10H2,1H3,(H,19,20)(H,21,24)/t15-/m0/s1","","2016-09-20","2017-01-20","N-(2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1H-imidazole-2-carboxamide","2017-01-25"],["KMA","6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C20 H26 F N3","Fc1cc(cc(c1)CCC2CCCN2)CCc3cc(cc(n3)N)C;Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3CCCN3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3","InChI=1S/C20H26FN3/c1-14-9-19(24-20(22)10-14)7-5-16-11-15(12-17(21)13-16)4-6-18-3-2-8-23-18/h9-13,18,23H,2-8H2,1H3,(H2,22,24)/t18-/m0/s1","","2019-01-03","2019-03-08","6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["79Z","5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide","C22 H23 F N2 O5 S","O=S(=O)(N(c3c(cc1c(oc(c1C(=O)NC)c2ccc(F)cc2)c3)C4CC4)CCO)C;CNC(=O)c1c(oc2cc(N(CCO)[S](C)(=O)=O)c(cc12)C3CC3)c4ccc(F)cc4;CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4","InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)","","2009-01-08","2011-06-04","5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide",""],["7A0","[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C33 H45 F N8 O9 P","CCNc1nc(ccc1C(=O)NCCN2CCCCC2)c3ccc(NC(=O)NCc4ccc(N)[n+](c4)[CH]5O[CH](CO[P](O)(O)=O)[CH](O)[CH]5O)c(F)c3;CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)C4C(C(C(O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5","InChI=1S/C33H44FN8O9P/c1-2-36-30-22(31(45)37-12-15-41-13-4-3-5-14-41)8-10-24(39-30)21-7-9-25(23(34)16-21)40-33(46)38-17-20-6-11-27(35)42(18-20)32-29(44)28(43)26(51-32)19-50-52(47,48)49/h6-11,16,18,26,28-29,32,35,43-44H,2-5,12-15,17,19H2,1H3,(H6,36,37,38,39,40,45,46,47,48,49)/p+1/t26-,28-,29-,32-/m1/s1","","2016-09-20","2017-10-20","[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2017-10-25"],["KMB","2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE","C16 H16 N4 O S","O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3;NCc1cc(CSc2ccccc2)c3N=C(N)NC(=O)c3c1;c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN","InChI=1S/C16H16N4OS/c17-8-10-6-11(9-22-12-4-2-1-3-5-12)14-13(7-10)15(21)20-16(18)19-14/h1-7H,8-9,17H2,(H3,18,19,20,21)","","2003-08-15","2011-06-04","2-amino-6-(aminomethyl)-8-[(phenylsulfanyl)methyl]quinazolin-4(3H)-one",""],["KMC","galangin","C15 H10 O5","Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O;c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H","3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one","2022-05-31","2022-08-22","3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one","2022-07-20"],["7A1","6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide","C28 H35 F N8 O2","CCNc1nc(ccc1C(=O)NCCN2CCCCC2)c3ccc(NC(=O)NCc4ccc(N)nc4)c(F)c3;CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4","InChI=1S/C28H35FN8O2/c1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19/h6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39)","","2016-09-21","2017-10-20","6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide","2017-10-25"],["7A2","3-C-carboxy-2-deoxy-L-threo-pentaric acid","C6 H8 O8","C(CC(C(O)C(O)=O)(C(=O)O)O)(=O)O;O[CH](C(O)=O)[C](O)(CC(O)=O)C(O)=O;C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O","InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6-/m0/s1","","2016-09-20","2017-08-04","3-C-carboxy-2-deoxy-L-threo-pentaric acid","2017-08-09"],["KMD","6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C21 H28 F N3","c3(cc(C)cc(CCc1cc(F)cc(c1)CCC2CCCN2C)n3)N;CN1CCC[CH]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3C","InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m0/s1","","2019-01-03","2019-03-08","6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["KME","(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid","C12 H20 O8","O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C(OC)CO;CO[CH](CO)[CH]1O[C](C[CH](O)[CH]1O)(OC=CC)C(O)=O;CC=COC1(CC(C(C(O1)C(CO)OC)O)O)C(=O)O","InChI=1S/C12H20O8/c1-3-4-19-12(11(16)17)5-7(14)9(15)10(20-12)8(6-13)18-2/h3-4,7-10,13-15H,5-6H2,1-2H3,(H,16,17)/b4-3+/t7-,8-,9-,10-,12-/m1/s1","(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid; (1E)-prop-1-en-1-yl\n3-deoxy-7-O-methyl-D-manno-oct-2-ulosidonic acid; (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-manno-oct-2-ulosidonic acid","2009-08-06","2020-07-17","(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid",""],["7A3","3-C-carboxy-2-deoxy-D-erythro-pentaric acid","C6 H8 O8","OC(CC(=O)O)(C(C(O)=O)O)C(O)=O;O[CH](C(O)=O)[C](O)(CC(O)=O)C(O)=O;C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O","InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1","","2016-09-20","2017-08-04","3-C-carboxy-2-deoxy-D-erythro-pentaric acid","2017-08-09"],["7A4","[(1Z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1H-inden-3-yl]acetic acid","C22 H21 F O2","c3(ccc(/C=C2/C(C)=C(CC(O)=O)c1cc(ccc12)F)cc3)C(C)C;CC(C)c1ccc(cc1)C=C2C(=C(CC(O)=O)c3cc(F)ccc23)C;CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)C(C)C)F)CC(=O)O","InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-","","2016-09-20","2017-08-04","[(1Z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1H-inden-3-yl]acetic acid","2017-08-09"],["KMF","N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide","C19 H23 N3 O2","CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1;CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1;CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3","InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24)","","2023-08-14","2024-09-27","N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide","2023-11-08"],["KMG","N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide","C12 H17 N3 O2 S","Cc2c1c(ccc(c1)NS(CCCC)(=O)=O)nn2;CCCC[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1;CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C","InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)","","2017-06-07","2018-11-30","N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide","2018-12-05"],["7A5","(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","C18 H25 F3 N4 O3","FC(F)(F)C3N(C2=NC(N1C(COCC1)C)=CC(=O)N2CC3)CC(=O)C(C)C;CC(C)C(=O)CN1[CH](CCN2C(=O)C=C(N=C12)N3CCOC[CH]3C)C(F)(F)F;CC1COCCN1C2=CC(=O)N3CCC(N(C3=N2)CC(=O)C(C)C)C(F)(F)F","InChI=1S/C18H25F3N4O3/c1-11(2)13(26)9-25-14(18(19,20)21)4-5-24-16(27)8-15(22-17(24)25)23-6-7-28-10-12(23)3/h8,11-12,14H,4-7,9-10H2,1-3H3/t12-,14+/m1/s1","","2014-08-12","2014-11-21","(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","2014-11-26"],["KMH","(5S)-5-AMINO-3-OXO-HEXANOIC ACID","C6 H11 N O3","C[CH](N)CC(=O)CC(O)=O;CC(CC(=O)CC(=O)O)N","InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1","","2011-01-31","2011-06-04","(5S)-5-amino-3-oxo-hexanoic acid",""],["7A6","(2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol","C14 H21 N5 O2 S","OC1C(CSCCC)NC(C1O)c3c2ncnc(c2nc3)N;CCCSC[CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3c(N)ncnc23;CCCSCC1C(C(C(N1)c2c[nH]c3c2ncnc3N)O)O","InChI=1S/C14H21N5O2S/c1-2-3-22-5-8-12(20)13(21)10(19-8)7-4-16-11-9(7)17-6-18-14(11)15/h4,6,8,10,12-13,16,19-21H,2-3,5H2,1H3,(H2,15,17,18)/t8-,10+,12-,13+/m1/s1","","2016-09-20","2017-10-06","(2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol","2017-10-11"],["7A7","methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate","C18 H14 F N5 O2 S","COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(OC)cc4F)c23)n1;COc1ccc(c(c1)F)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2","InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16+","","2016-09-21","2016-10-21","methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate","2016-10-26"],["KMI","4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine","C14 H17 N3","Cc1cc(nc(N)c1)c1cccc(CNC)c1;CNCc1cccc(c1)c2cc(C)cc(N)n2;Cc1cc(nc(c1)N)c2cccc(c2)CNC","InChI=1S/C14H17N3/c1-10-6-13(17-14(15)7-10)12-5-3-4-11(8-12)9-16-2/h3-8,16H,9H2,1-2H3,(H2,15,17)","","2022-02-04","2022-07-08","4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine","2022-07-13"],["KMJ","6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H25 F2 N3","c2(cc(C)cc(CCc1c(F)c(cc(c1)F)CCCN(C)C)n2)N;CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1F;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F","InChI=1S/C19H25F2N3/c1-13-9-17(23-18(22)10-13)7-6-15-12-16(20)11-14(19(15)21)5-4-8-24(2)3/h9-12H,4-8H2,1-3H3,(H2,22,23)","","2019-01-03","2019-03-08","6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["7A8","(1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-ENYL)-AMINE","C9 H17 N","N(C)(C)C1CC=C(C)CC1;CN(C)[CH]1CCC(=CC1)C;CC1=CCC(CC1)N(C)C","InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1","(4R)-7AZA-7,8-DIHYDROLIMONENE","2002-11-08","2021-03-13","(1R)-N,N,4-trimethylcyclohex-3-en-1-amine",""],["7A9","palonosetron","C19 H24 N2 O","O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5;c1cc2c3c(c1)C(=O)N(CC3CCC2)C4CN5CCC4CC5","InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1","","2016-09-21","2016-10-07","(3~{a}~{R})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one","2016-10-12"],["KMK","methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate","C24 H30 N8 O4","COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4nc(N)nc(N)c4n3;COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N","InChI=1S/C24H30N8O4/c1-36-23(35)16-7-10-31(11-8-16)22(34)15-3-5-18(6-4-15)32(9-2-12-33)14-17-13-27-21-19(28-17)20(25)29-24(26)30-21/h3-6,13,16,33H,2,7-12,14H2,1H3,(H4,25,26,27,29,30)","","2019-06-07","2020-07-10","methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate","2020-07-15"],["7AA","methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate","C17 H11 Cl2 N5 O S","COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(Cl)cc4Cl)c23)n1;COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl","InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)/b20-15+","","2016-09-21","2016-10-21","methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate","2016-10-26"],["KML","pinocembrin","C15 H12 O4","Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3;c1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1","(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one","2022-05-31","2022-08-22","(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one","2022-07-20"],["KMM","6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H24 F3 N3","c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c2F)F)F;CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F;Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F","InChI=1S/C19H24F3N3/c1-12-9-14(24-17(23)10-12)6-7-15-18(21)13(5-4-8-25(2)3)11-16(20)19(15)22/h9-11H,4-8H2,1-3H3,(H2,23,24)","","2019-01-03","2019-03-08","6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["7AB","(2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde","C21 H28 O","C1CC(C=CC/1=C(C=CC=2C(C)(CCCC=2C)C)C)=[C@H]C=O;CC1=C(C=CC(C)=C2CCC(=CC=O)C=C2)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=C2CCC(=CC=O)C=C2)C","InChI=1S/C21H28O/c1-16(19-10-8-18(9-11-19)13-15-22)7-12-20-17(2)6-5-14-21(20,3)4/h7-8,10,12-13,15H,5-6,9,11,14H2,1-4H3/b12-7+,18-13-,19-16-","","2007-02-16","2024-09-27","(2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde",""],["7AC","7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile","C16 H13 Cl N4","Clc3ccccc3c1c(C#N)cc2ncn(c2c1CN)C;Cn1cnc2cc(C#N)c(c(CN)c12)c3ccccc3Cl;Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN","InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3","","2008-02-27","2011-06-04","7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile",""],["KMN","2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol","C27 H32 N2 O2","CCN(CC)C1CCN(CC1)Cc2cc(cc(C#C)c2O)C#CCOc3ccccc3;CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3","InChI=1S/C27H32N2O2/c1-4-23-19-22(11-10-18-31-26-12-8-7-9-13-26)20-24(27(23)30)21-28-16-14-25(15-17-28)29(5-2)6-3/h1,7-9,12-13,19-20,25,30H,5-6,14-18,21H2,2-3H3","","2015-07-03","2015-09-25","2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol","2015-09-30"],["KMP","3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE","C15 H10 O6","O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O;Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O","InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H","KAEMPHEROL","2002-07-19","2021-03-01","3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",""],["7AD","9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE","C19 H22 N4 O","O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCN(C)C;CN(C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12;CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N","InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)","","2004-01-07","2011-06-04","9-amino-N-[3-(dimethylamino)propyl]acridine-4-carboxamide",""],["KMQ","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C19 H29 N5 O14 P2","CC=CCO[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CC=CCOC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C19H29N5O14P2/c1-2-3-4-33-15-13(26)10(37-19(15)28)6-35-40(31,32)38-39(29,30)34-5-9-12(25)14(27)18(36-9)24-8-23-11-16(20)21-7-22-17(11)24/h2-3,7-10,12-15,18-19,25-28H,4-6H2,1H3,(H,29,30)(H,31,32)(H2,20,21,22)/b3-2+/t9-,10-,12-,13-,14-,15-,18-,19+/m1/s1","","2019-06-08","2024-09-27","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2020-04-15"],["7AE","N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide","C22 H26 N6 O5 S2","C1N(S(C)(=O)=O)CC(OC1)c2csc(n2)c3c(ccc(c3)N4CCOCC4)NC(c5nccn5)=O;C[S](=O)(=O)N1CCO[CH](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5;CS(=O)(=O)N1CCOC(C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5","InChI=1S/C22H26N6O5S2/c1-35(30,31)28-8-11-33-19(13-28)18-14-34-22(26-18)16-12-15(27-6-9-32-10-7-27)2-3-17(16)25-21(29)20-23-4-5-24-20/h2-5,12,14,19H,6-11,13H2,1H3,(H,23,24)(H,25,29)/t19-/m0/s1","","2016-09-21","2017-01-20","N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide","2017-01-25"],["KMR","4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine","C14 H24 N4","Cc1cc(CCCN2CCN(C)CC2)nc(N)c1;CN1CCN(CCCc2cc(C)cc(N)n2)CC1;Cc1cc(nc(c1)N)CCCN2CCN(CC2)C","InChI=1S/C14H24N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16)","","2022-02-07","2022-07-08","4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine","2022-07-13"],["7AF","~{N}-[(2~{S})-1-[[(2~{S})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","C21 H36 N3 O5 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC[CH](C)C(C)C;CC(C)CC(C(=O)NCC(C)C(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H36N3O5P/c1-15(2)11-19(20(25)22-12-17(5)16(3)4)24-30(27,28)14-23-21(26)29-13-18-9-7-6-8-10-18/h6-10,15-17,19H,11-14H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t17-,19+/m1/s1","","2016-09-22","2019-09-04","~{N}-[(2~{S})-1-[[(2~{S})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","2016-12-21"],["KMS","6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H24 F3 N3","c2(cc(C)cc(CCc1c(F)c(F)c(c(c1)CCCN(C)C)F)n2)N;CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)c(F)c(F)c1F;Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C","InChI=1S/C19H24F3N3/c1-12-9-15(24-16(23)10-12)7-6-14-11-13(5-4-8-25(2)3)17(20)19(22)18(14)21/h9-11H,4-8H2,1-3H3,(H2,23,24)","","2019-01-03","2019-03-08","6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["7AG","~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide","C24 H28 N6 O3","C[CH](Cn1cc(CNC(=O)CCCC(=O)Nc2cccc(c2)C(N)=O)nn1)c3ccccc3;CC(Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3","InChI=1S/C24H28N6O3/c1-17(18-7-3-2-4-8-18)15-30-16-21(28-29-30)14-26-22(31)11-6-12-23(32)27-20-10-5-9-19(13-20)24(25)33/h2-5,7-10,13,16-17H,6,11-12,14-15H2,1H3,(H2,25,33)(H,26,31)(H,27,32)/t17-/m0/s1","","2016-09-22","2016-12-16","~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide","2016-12-21"],["7AH","2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide","C21 H22 F N3 O","Fc1ccc(cc1)CC(=O)Nc2ccc3ncc(c3c2)C4CCNCC4;Fc1ccc(CC(=O)Nc2ccc3[nH]cc(C4CCNCC4)c3c2)cc1;c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F","InChI=1S/C21H22FN3O/c22-16-3-1-14(2-4-16)11-21(26)25-17-5-6-20-18(12-17)19(13-24-20)15-7-9-23-10-8-15/h1-6,12-13,15,23-24H,7-11H2,(H,25,26)","","2013-11-25","2014-07-10","2-(4-fluorophenyl)-N-[3-(piperidin-4-yl)-1H-indol-5-yl]acetamide","2014-07-08"],["KMT","4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID","C5 H8 O3 S","O=C(O)C(=O)CCSC;CSCCC(=O)C(O)=O;CSCCC(=O)C(=O)O","InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)","","2003-10-20","2011-06-04","4-(methylsulfanyl)-2-oxobutanoic acid",""],["KMU","2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide","C22 H19 Cl N2 O2","NC[C]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4;c1ccc(cc1)C2(Cc3c(ccc(c3c4ccccc4C(=O)N)Cl)O2)CN","InChI=1S/C22H19ClN2O2/c23-18-10-11-19-17(20(18)15-8-4-5-9-16(15)21(25)26)12-22(13-24,27-19)14-6-2-1-3-7-14/h1-11H,12-13,24H2,(H2,25,26)/t22-/m1/s1","","2022-05-31","2022-08-22","2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide","2022-08-17"],["7AI","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C33 H35 F3 N2 O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCN2CCCCC2)cc1;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F)(F)F)c4ccc(OCCN5CCCCC5)cc4)c6ccc(O)cc6;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O","InChI=1S/C33H35F3N2O6S/c34-33(35,36)21-38(24-8-14-27(15-9-24)43-19-18-37-16-2-1-3-17-37)45(41,42)29-20-28-30(22-4-10-25(39)11-5-22)31(32(29)44-28)23-6-12-26(40)13-7-23/h4-15,28-29,32,39-40H,1-3,16-21H2/t28-,29+,32+/m0/s1","","2021-08-11","2021-09-17","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-22"],["KMV","6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine","C18 H19 F2 N3","c2(cc(C)cc(CCc1c(F)c(F)cc(c1)C#CCNC)n2)N;CNCC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC","InChI=1S/C18H19F2N3/c1-12-8-15(23-17(21)9-12)6-5-14-10-13(4-3-7-22-2)11-16(19)18(14)20/h8-11,22H,5-7H2,1-2H3,(H2,21,23)","","2019-01-03","2019-03-08","6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine","2019-03-13"],["7AJ","4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine","C24 H28 Cl N5 O2","C1N(CCN(C1)C)CCn2cc(c3c2cc(c(c3)OC)OC)c5cc4c(nccc4Cl)n5;COc1cc2n(CCN3CCN(C)CC3)cc(c4[nH]c5nccc(Cl)c5c4)c2cc1OC;CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl","InChI=1S/C24H28ClN5O2/c1-28-6-8-29(9-7-28)10-11-30-15-18(16-13-22(31-2)23(32-3)14-21(16)30)20-12-17-19(25)4-5-26-24(17)27-20/h4-5,12-15H,6-11H2,1-3H3,(H,26,27)","","2016-09-22","2017-10-06","4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine","2017-10-11"],["7AK","(+)-Discodermolide","C33 H55 N O8","C[CH](CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)[CH](C)[CH](O)[CH]1C)[CH](O)[CH](C)[CH](OC(N)=O)[CH](C)C=CC=C;CC1C(OC(=O)C(C1O)C)CC(C=CC(C)C(C(C)C=C(C)CC(C)C(C(C)C(C(C)C=CC=C)OC(=O)N)O)O)O","InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31-/m0/s1","","2016-09-23","2017-02-24","[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate","2017-03-01"],["KMW","3-(4-aminocarbonylphenoxy)benzamide","C14 H12 N2 O3","NC(=O)c1ccc(Oc2cccc(c2)C(N)=O)cc1;c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N","InChI=1S/C14H12N2O3/c15-13(17)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)","","2019-06-10","2020-07-10","3-(4-aminocarbonylphenoxy)benzamide","2020-07-15"],["7AL","Chlorolissoclimide","C20 H30 Cl N O4","OC(CC2C1(C(C(C)(C)CC(C1)Cl)CC(O)C2=C)C)C3CC(NC3=O)=O;CC1(C)C[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12;CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C","InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1","","2016-09-23","2017-07-21","(3R)-3-{(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]-1-hydroxyethyl}pyrrolidine-2,5-dione","2017-07-26"],["KMX","1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one","C17 H21 N3 O S","CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1;CC(=O)N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2;CC(=O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3","InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3","","2023-08-14","2024-09-27","1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one","2023-11-08"],["KMY","3-chlorobenzothiophene-2-carbohydroxamic acid","C9 H6 Cl N O2 S","Clc1c2ccccc2sc1C(=O)NO;ONC(=O)c1sc2ccccc2c1Cl;c1ccc2c(c1)c(c(s2)C(=O)NO)Cl","InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)","","2013-07-24","2014-04-30","3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide","2013-08-14"],["7AM","[[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid","C22 H21 N4 O4 P S","Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4ccccc4)C(=O)N[P](O)(O)=O)c3c2;Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(Cc4ccccc4)C(=O)NP(=O)(O)O","InChI=1S/C22H21N4O4PS/c1-14-7-9-16(10-8-14)19-12-17-20(23-13-24-22(17)32-19)25-18(21(27)26-31(28,29)30)11-15-5-3-2-4-6-15/h2-10,12-13,18H,11H2,1H3,(H,23,24,25)(H3,26,27,28,29,30)/t18-/m0/s1","","2016-07-25","2017-03-10","[[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid","2017-03-15"],["7AN","~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide","C12 H14 N2 O","CC(=O)NCCc1c[nH]c2ccccc12;CC(=O)NCCc1c[nH]c2c1cccc2","InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)","N-acetyltryptamine","2016-06-24","2021-03-01","~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide","2017-07-05"],["KN0","4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","C21 H15 F3 N2 O2","FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)Cc4ccccc4;Oc1ccc(c(O)c1)c2nn(Cc3ccccc3)c4c2cccc4C(F)(F)F;c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O","InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(15-10-9-14(27)11-18(15)28)25-26(20(16)17)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2","","2010-09-09","2011-06-04","4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol",""],["7AO","[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate","C43 H65 N5 O9","C[CH](CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)[CH](C)[CH](O)[CH]1C)[CH](O)[CH](C)[CH](OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])[CH](C)C=CC=C;CC1C(OC(=O)C(C1O)C)CC(C=CC(C)C(C(C)C=C(C)CC(C)C(C(C)C(C(C)C=CC=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O","InChI=1S/C43H65N5O9/c1-10-11-14-27(4)40(57-43(55)46-20-13-19-45-41(53)33-15-12-16-34(23-33)47-48-44)31(8)38(51)29(6)22-25(2)21-28(5)37(50)26(3)17-18-35(49)24-36-30(7)39(52)32(9)42(54)56-36/h10-12,14-18,21,23,26-32,35-40,49-52H,1,13,19-20,22,24H2,2-9H3,(H,45,53)(H,46,55)/b14-11-,18-17-,25-21-/t26-,27-,28-,29-,30-,31-,32+,35+,36-,37-,38+,39-,40-/m0/s1","","2016-09-23","2017-09-15","[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate","2017-09-20"],["KN1","4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","C17 H13 F3 N2 O2","FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC=C;Oc1ccc(c(O)c1)c2nn(CC=C)c3c2cccc3C(F)(F)F;C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O","InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2","","2007-09-24","2011-06-04","4-[1-prop-2-en-1-yl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol",""],["7AP","(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL","C9 H12 N6 O2","n1c2c(ncc1C(O)C(O)C)nc(nc2N)N;C[CH](O)[CH](O)c1cnc2nc(N)nc(N)c2n1;CC(C(c1cnc2c(n1)c(nc(n2)N)N)O)O","InChI=1S/C9H12N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h2-3,6,16-17H,1H3,(H4,10,11,12,14,15)/t3-,6+/m0/s1","4-AMINOBIOPTERIN","2006-03-07","2021-03-01","(1S,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol",""],["KN2","4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL","C13 H10 N2 O3","n2c(c1ccc(O)cc1n2)c3ccc(O)cc3O;Oc1ccc(c(O)c1)c2n[nH]c3cc(O)ccc23;c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O","InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)","","2007-06-27","2011-06-04","4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol",""],["KN3","4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","C19 H17 F3 N2 O2","FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C/C=C(/C)C;CC(C)=CCn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F;CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C","InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18-14(4-3-5-15(18)19(20,21)22)17(23-24)13-7-6-12(25)10-16(13)26/h3-8,10,25-26H,9H2,1-2H3","","2010-09-09","2011-06-04","4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol",""],["7AR","(2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid","C17 H11 Cl2 N O4","c3cccc(CC(N2C(c1c(cc(c(Cl)c1)Cl)C2=O)=O)C(=O)O)c3;OC(=O)[CH](Cc1ccccc1)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O;c1ccc(cc1)CC(C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl","InChI=1S/C17H11Cl2NO4/c18-12-7-10-11(8-13(12)19)16(22)20(15(10)21)14(17(23)24)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,23,24)/t14-/m1/s1","","2016-09-26","2016-09-30","(2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid","2016-10-05"],["KN4","6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C21 H27 F2 N3","c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CCCN3C;CN1CCC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCCN3C","InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m0/s1","","2019-01-03","2019-03-08","6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["7AS","4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl\n}-L-leucinamide","C25 H29 F4 N3 O3 S","c2cc(c1ccc(S(=O)(C)=O)cc1)ccc2C(NC(CC(C)(C)F)C(=O)NC3(CC3)[C@H]=N)C(F)(F)F;CC(C)(F)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NC3(CC3)C=N;CC(C)(CC(C(=O)NC1(CC1)C=N)NC(c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)F","InChI=1S/C25H29F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,15,20-21,30-31H,12-14H2,1-3H3,(H,32,33)/b30-15-/t20-,21-/m0/s1","covalently linked Odanacatib","2016-09-26","2024-09-27","4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl}-L-leucinamide","2017-01-25"],["7AT","1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C12 H15 N8 O7 P","O=P(O)(O)OCC4OC(n2nc(c1c(ncnc12)N)c3cnnn3)C(O)C4O;Nc1ncnc2n(nc(c3[nH]nnc3)c12)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1c([nH]nn1)c2c3c(ncnc3n(n2)C4C(C(C(O4)COP(=O)(O)O)O)O)N","InChI=1S/C12H15N8O7P/c13-10-6-7(4-1-16-19-17-4)18-20(11(6)15-3-14-10)12-9(22)8(21)5(27-12)2-26-28(23,24)25/h1,3,5,8-9,12,21-22H,2H2,(H2,13,14,15)(H,16,17,19)(H2,23,24,25)/t5-,8-,9-,12-/m1/s1","7-triazolyl-8-aza-7-deazaadenosine","2013-11-22","2020-06-17","1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-07-02"],["KN6","4-THIOPYRIDINE","C5 H5 N S","Sc1ccncc1;c1cnccc1S","InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)","pyridine-4-thiol","2024-01-22","2025-03-14","pyridine-4-thiol","2025-03-19"],["7AU","(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol","C25 H25 Cl N4 O","C1CNCCN1c2ccc(cc2)c4n(C)c3c(c(ccn3)Cl)c4c5ccc(cc5)CO;Cn1c2nccc(Cl)c2c(c3ccc(CO)cc3)c1c4ccc(cc4)N5CCNCC5;Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5","InChI=1S/C25H25ClN4O/c1-29-24(19-6-8-20(9-7-19)30-14-12-27-13-15-30)22(18-4-2-17(16-31)3-5-18)23-21(26)10-11-28-25(23)29/h2-11,27,31H,12-16H2,1H3","","2016-09-26","2017-10-06","(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol","2017-10-11"],["KN9","N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide","C26 H29 Cl N2 O4 S","CN(Cc1ccccc1N(CCO)S(c2ccc(OC)cc2)(=O)=O)CC=Cc3ccc(cc3)Cl;COc1ccc(cc1)[S](=O)(=O)N(CCO)c2ccccc2CN(C)CC=Cc3ccc(Cl)cc3;CN(CC=Cc1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC","InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+","N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide","2018-08-21","2021-03-01","N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide","2019-08-28"],["KNA","nonanoic acid","C9 H18 O2","O=C(O)CCCCCCCC;CCCCCCCCC(O)=O;CCCCCCCCC(=O)O","InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)","","2011-09-30","2024-09-27","nonanoic acid",""],["7AV","{2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1H-indol-1-yl}methanone","C26 H22 Cl N3 O2 S","c1c5c(ccc1c2csc(n2)NC)N(C(c3ccccc3OCc4ccc(cc4)Cl)=O)CC5;CNc1scc(n1)c2ccc3N(CCc3c2)C(=O)c4ccccc4OCc5ccc(Cl)cc5;CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl","InChI=1S/C26H22ClN3O2S/c1-28-26-29-22(16-33-26)18-8-11-23-19(14-18)12-13-30(23)25(31)21-4-2-3-5-24(21)32-15-17-6-9-20(27)10-7-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,29)","","2016-09-26","2016-10-14","{2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1H-indol-1-yl}methanone","2016-10-19"],["KNB","3-(methylsulfonyl)-L-alanine","C4 H9 N O4 S","O=S(=O)(CC(C(=O)O)N)C;C[S](=O)(=O)C[CH](N)C(O)=O;CS(=O)(=O)CC(C(=O)O)N","InChI=1S/C4H9NO4S/c1-10(8,9)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","2010-11-12","2012-01-13","3-(methylsulfonyl)-L-alanine",""],["7AW","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide","C33 H48 N6 O4 S2","O=C(OCc1scnc1)NC(CCC)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)Cc3ccccc3;CCC[CH](CC[CH](Cc1ccccc1)NC(=O)[CH](NC(=O)N(C)Cc2csc(n2)C(C)C)C(C)C)NC(=O)OCc3scnc3;CCCC(CCC(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3","InChI=1S/C33H48N6O4S2/c1-7-11-25(37-33(42)43-19-28-17-34-21-45-28)14-15-26(16-24-12-9-8-10-13-24)35-30(40)29(22(2)3)38-32(41)39(6)18-27-20-44-31(36-27)23(4)5/h8-10,12-13,17,20-23,25-26,29H,7,11,14-16,18-19H2,1-6H3,(H,35,40)(H,37,42)(H,38,41)/t25-,26+,29-/m0/s1","","2013-05-06","2013-06-14","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide","2013-06-19"],["KNC","KANAMYCIN C","C18 H36 N4 O11","O(C2C(O)C(OC1OC(CO)C(O)C(O)C1N)C(N)CC2N)C3OC(C(O)C(N)C3O)CO;N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](N)[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CO)O)O)N)N","InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1","","2008-03-20","2011-06-04","(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["7AX","7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile","C23 H17 N3 O4","c2c1ccc(cc1cc(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)C#N;O=C1NC(=O)N(CCOc2ccccc2Oc3ccc4ccc(cc4c3)C#N)C=C1;c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N","InChI=1S/C23H17N3O4/c24-15-16-5-6-17-7-8-19(14-18(17)13-16)30-21-4-2-1-3-20(21)29-12-11-26-10-9-22(27)25-23(26)28/h1-10,13-14H,11-12H2,(H,25,27,28)","JLJ649","2016-09-26","2021-03-01","7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile","2017-01-11"],["7AY","5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile","C24 H18 Cl N3 O4","c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)Cl;Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(Cl)c4ccc(cc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N","InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)","JLJ651","2016-09-26","2020-06-17","5-chloro-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile","2017-01-11"],["KND","6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C21 H27 F2 N3 O","c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)C)F;CN1CCOC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3COCCN3C","InChI=1S/C21H27F2N3O/c1-14-9-17(25-20(24)10-14)5-4-16-11-15(12-19(22)21(16)23)3-6-18-13-27-8-7-26(18)2/h9-12,18H,3-8,13H2,1-2H3,(H2,24,25)/t18-/m0/s1","","2019-01-03","2019-03-08","6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["KNE","[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine","C15 H14 Cl N O","NC[C]1(Cc2cc(Cl)ccc2O1)c3ccccc3;c1ccc(cc1)C2(Cc3cc(ccc3O2)Cl)CN","InChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1","","2022-05-31","2022-08-22","[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine","2022-08-17"],["7AZ","phosphonato-calix[6]arene","C42 H42 O24 P6","Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[P](O)(O)=O)c7O)[P](O)(O)=O)c6O)[P](O)(O)=O)c5O)[P](O)(O)=O)c4O)[P](O)(O)=O)c3O)[P](O)(O)=O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O","InChI=1S/C42H42O24P6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)","","2016-09-27","2017-05-05","","2017-05-10"],["KNF","Olorinab","C18 H23 N5 O3","CC(C)(C)[CH](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[CH]4C[CH]4Cc13;CC(C)(C)C(CO)NC(=O)c1c2c(n(n1)c3c[n+](ccn3)[O-])C4CC4C2","InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1","(2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide","2022-10-03","2023-09-15","(2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanidylpyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide","2023-05-10"],["7B0","(2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid","C6 H15 N3 O4 S","NCCCC[CH](N[S](N)(=O)=O)C(O)=O;C(CCN)CC(C(=O)O)NS(=O)(=O)N","InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1","","2016-09-27","2016-10-21","(2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid","2016-10-26"],["KNG","Kanglemycin A","C50 H67 N O19","c1(c3c(c(c6c2C(C(C)(OC=CC(C(C(C(C(C(C(C(CCC=C(C(=O)Nc1cc(c23)O)C)C(OC(C(C)(C)CC(=O)O)=O)C)O)C)O)C)OC(C)=O)C)OC5CC4C(OCO4)C(C)O5)O6)=O)C)O)O;C[CH]1O[CH](C[CH]2OCO[CH]12)O[CH]3C=CO[C]4(C)Oc5c(C)c(O)c6c(O)c(NC(=O)C(=CCC[CH]([CH](C)OC(=O)C(C)(C)CC(O)=O)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]3C)C)cc(O)c6c5C4=O;Cc1c(c2c3c(cc(c2O)NC(=O)C(=CCCC(C(C(C(C(C(C(C(C=COC4(C(=O)c3c1O4)C)OC5CC6C(C(O5)C)OCO6)C)OC(=O)C)C)O)C)O)C(C)OC(=O)C(C)(C)CC(=O)O)C)O)O","InChI=1S/C50H67NO19/c1-21-13-12-14-29(26(6)67-48(62)49(9,10)19-34(54)55)40(57)23(3)39(56)24(4)43(68-28(8)52)22(2)32(69-35-18-33-45(27(7)66-35)64-20-63-33)15-16-65-50(11)46(60)38-36-31(53)17-30(51-47(21)61)42(59)37(36)41(58)25(5)44(38)70-50/h13,15-17,22-24,26-27,29,32-33,35,39-40,43,45,53,56-59H,12,14,18-20H2,1-11H3,(H,51,61)(H,54,55)/b16-15+,21-13-/t22-,23+,24-,26+,27-,29-,32+,33+,35+,39-,40-,43-,45-,50+/m1/s1","4-{(1S)-1-[(1S,2S,12S,16S,17R,18S,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-23-[(2,6-dideoxy-3,4-O-methylidene-beta-D-ribo-hexopyranosyl)oxy]-1,5,6,9,17,19-hexahydroxy-2,4,12,18,20,22-hexamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadec[1]enoimino)naphtho[2,1-b]furan-16-yl]ethoxy}-3,3-dimethyl-4-oxobutanoic acid","2018-03-16","2021-03-13","4-[(1~{S})-1-[(4~{Z},8~{S},9~{R},10~{S},11~{R},12~{R},13~{S},14~{R},15~{S},16~{E},19~{S})-15-[[(3~{a}~{R},4~{R},6~{R},7~{a}~{S})-4-methyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-acetyloxy-4,10,12,14,19,28-hexamethyl-9,11,23,25,27-pentakis(oxidanyl)-3,20-bis(oxidanylidene)-18,30-dioxa-2-azatetracyclo[17.6.5.0^{21,29}.0^{22,26}]triaconta-1(25),4,16,21,23,26,28-heptaen-8-yl]ethoxy]-3,3-dimethyl-4-oxidanylidene-butanoic acid","2018-07-25"],["7B1","N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide","C14 H11 N3 O4 S","c1ccc(cc1)C(Nc3oc2ccc(cc2n3)S(N)(=O)=O)=O;N[S](=O)(=O)c1ccc2oc(NC(=O)c3ccccc3)nc2c1;c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N","InChI=1S/C14H11N3O4S/c15-22(19,20)10-6-7-12-11(8-10)16-14(21-12)17-13(18)9-4-2-1-3-5-9/h1-8H,(H2,15,19,20)(H,16,17,18)","","2016-09-27","2017-08-04","N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide","2017-08-09"],["7B2","4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde","C27 H29 Cl N9 O","Cn1c(C)c(C=O)c(c1C)c2nnc3n2ncc4c(C)n(C)c(C[n+]5cc6c(C)n(C)c(C)c6c(Cl)n5)c34;Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C","InChI=1S/C27H29ClN9O/c1-13-18-9-29-37-26(23-17(5)34(7)15(3)20(23)12-38)30-31-27(37)24(18)21(35(13)8)11-36-10-19-14(2)33(6)16(4)22(19)25(28)32-36/h9-10,12H,11H2,1-8H3/q+1","","2016-09-27","2017-08-04","4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde","2017-08-09"],["KNH","Myxovirescin A","C35 H61 N O8","CCC[CH]1OC(=O)[CH](C)C[CH](C)CCCCC(=O)CCC[CH](CC)C=CC=C(CC[CH](O)[CH](O)C[CH](O)CNC1=O)COC;CCCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCCCC(CC(C(=O)O1)C)C)CC)COC)O)O)O","InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10-,28-16-/t25-,26+,27+,30+,31-,32+,33+/m1/s1","","2019-06-11","2020-01-10","(2~{S},6~{S},8~{S},9~{R},12~{Z},14~{Z},16~{R},25~{R},27~{S})-16-ethyl-12-(methoxymethyl)-25,27-dimethyl-6,8,9-tris(oxidanyl)-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione","2020-01-15"],["7B3","4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine","C10 H13 N3 O","COc1nncc2c(C)n(C)c(C)c12;Cc1c2cnnc(c2c(n1C)C)OC","InChI=1S/C10H13N3O/c1-6-8-5-11-12-10(14-4)9(8)7(2)13(6)3/h5H,1-4H3","","2016-09-27","2017-08-04","4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine","2017-08-09"],["KNI","(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide","C33 H41 N5 O6 S2","O=C(NC(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O)COc2c1ccncc1ccc2)CSC)Cc3ccccc3)CSC4;CSC[CH](NC(=O)COc1cccc2cnccc12)C(=O)N[CH](Cc3ccccc3)[CH](O)C(=O)N4CSC[CH]4C(=O)NC(C)(C)C;CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)COc3cccc4c3ccnc4)O","InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1","KNI-272; (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE","1999-07-08","2020-01-26","(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide",""],["7B4","4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine","C9 H10 Cl N3","Cn1c(C)c2cnnc(Cl)c2c1C;Cc1c2cnnc(c2c(n1C)C)Cl","InChI=1S/C9H10ClN3/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3/h4H,1-3H3","","2016-09-27","2017-08-04","4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine","2017-08-09"],["KNJ","(4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop\n-2-en-1-yl)-1,3-thiazolidine-4-carboxamide","C30 H40 N4 O5 S","O=C(NCC(=C)/C)C3N(C(=O)C(O)C(NC(=O)COc1c(cc(N)cc1C)C)Cc2ccccc2)CSC3(C)C;CC(=C)CNC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[CH](Cc2ccccc2)NC(=O)COc3c(C)cc(N)cc3C;Cc1cc(cc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NCC(=C)C)(C)C)O)C)N","InChI=1S/C30H40N4O5S/c1-18(2)15-32-28(37)27-30(5,6)40-17-34(27)29(38)25(36)23(14-21-10-8-7-9-11-21)33-24(35)16-39-26-19(3)12-22(31)13-20(26)4/h7-13,23,25,27,36H,1,14-17,31H2,2-6H3,(H,32,37)(H,33,35)/t23-,25-,27+/m0/s1","KNI-1689","2009-05-29","2020-06-17","(4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-en-1-yl)-1,3-thiazolidine-4-carboxamide",""],["KNL","(2,6-dichlorophenoxy)acetic acid","C8 H6 Cl2 O3","Clc1cccc(Cl)c1OCC(=O)O;OC(=O)COc1c(Cl)cccc1Cl;c1cc(c(c(c1)Cl)OCC(=O)O)Cl","InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)","","2010-11-11","2012-01-13","(2,6-dichlorophenoxy)acetic acid",""],["7B5","methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate","C21 H37 O7 P","COC(=O)[CH](CO[P](=O)(OC)OC)OCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCOC(COP(=O)(OC)OC)C(=O)OC)C)C)C","InChI=1S/C21H37O7P/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-27-20(21(22)24-5)16-28-29(23,25-6)26-7/h10,12,14,20H,8-9,11,13,15-16H2,1-7H3/b18-12+,19-14-/t20-/m1/s1","","2016-09-28","2017-09-15","methyl (2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate","2017-09-20"],["KNM","ADA-(AHX)3-(LEU)3-VINYL SULFONE","C51 H92 N6 O8 S","CC(C)C[CH](CC[S](C)(=O)=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2;CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2","InChI=1S/C51H92N6O8S/c1-36(2)26-42(21-25-66(7,64)65)55-49(62)44(28-38(5)6)57-50(63)43(27-37(3)4)56-47(60)20-12-8-9-15-22-52-45(58)18-13-10-16-23-53-46(59)19-14-11-17-24-54-48(61)35-51-32-39-29-40(33-51)31-41(30-39)34-51/h36-44H,8-35H2,1-7H3,(H,52,58)(H,53,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)/t39?,40?,41?,42-,43+,44+,51?/m1/s1","","2015-05-12","2024-09-27","7-[6-[6-[2-(1-adamantyl)ethanoylamino]hexanoylamino]hexanoylamino]-N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-methylsulfonyl-hexan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]heptanamide","2015-12-29"],["7B6","(2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid","C23 H40 N4 O4","NCCCC[CH](NC(=O)N[CH](CC1CCCCC1)C(=O)N[CH]2C[CH]3CC[CH]2C3)C(O)=O;C1CCC(CC1)CC(C(=O)NC2CC3CCC2C3)NC(=O)NC(CCCCN)C(=O)O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,17+,18-,19-,20+/m0/s1","","2016-09-28","2016-10-21","(2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid","2016-10-26"],["KNN","1-(2-methylphenyl)methanamine","C8 H11 N","NCc1ccccc1C;Cc1ccccc1CN;Cc1ccccc1CN","InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3","","2010-11-11","2012-01-13","1-(2-methylphenyl)methanamine",""],["7B7","1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea","C21 H26 N4 O3","O=C(N2C(c1c(OC)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3;COc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc(N)cc3;COc1ccccc1C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N","InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea","2014-02-19"],["KNP","(2,6-difluorophenoxy)acetic acid","C8 H6 F2 O3","O=C(O)COc1c(F)cccc1F;OC(=O)COc1c(F)cccc1F;c1cc(c(c(c1)F)OCC(=O)O)F","InChI=1S/C8H6F2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)","","2010-11-11","2012-01-13","(2,6-difluorophenoxy)acetic acid",""],["7B8","3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid","C24 H27 N7 O7 S","NC(=O)c1cccc(NC(=O)CCC(=O)NCCc2cn(CCN[S](=O)(=O)c3cccc(c3)C(O)=O)nn2)c1;c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N","InChI=1S/C24H27N7O7S/c25-23(34)16-3-1-5-18(13-16)28-22(33)8-7-21(32)26-10-9-19-15-31(30-29-19)12-11-27-39(37,38)20-6-2-4-17(14-20)24(35)36/h1-6,13-15,27H,7-12H2,(H2,25,34)(H,26,32)(H,28,33)(H,35,36)","","2016-09-28","2016-12-16","3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid","2016-12-21"],["7B9","[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate","C16 H22 N3 O7 P","OP(O)(=O)OCc2c(CNC=1C(C=C(NC=1)CCCO)=O)c(O)c(nc2)C;Cc1ncc(CO[P](O)(O)=O)c(CNC2=CNC(=CC2=O)CCCO)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O","InChI=1S/C16H22N3O7P/c1-10-16(22)13(11(6-17-10)9-26-27(23,24)25)7-19-14-8-18-12(3-2-4-20)5-15(14)21/h5-6,8,19-20,22H,2-4,7,9H2,1H3,(H,18,21)(H2,23,24,25)","","2016-09-28","2017-05-26","[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate","2017-05-31"],["KNR","1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine","C30 H49 N9 O5","CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c2;CCCCC1C(=O)NCCCCC(C(=O)NCC(=O)NCc2cccc(c2)CC(=O)NC(C(=O)N1)CCCCN)NC(=N)N","InChI=1S/C30H49N9O5/c1-2-3-11-22-27(42)34-15-7-5-13-23(39-30(32)33)28(43)36-19-26(41)35-18-21-10-8-9-20(16-21)17-25(40)37-24(29(44)38-22)12-4-6-14-31/h8-10,16,22-24H,2-7,11-15,17-19,31H2,1H3,(H,34,42)(H,35,41)(H,36,43)(H,37,40)(H,38,44)(H4,32,33,39)/t22-,23+,24-/m0/s1","","2022-05-31","2022-08-22","1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine","2022-07-13"],["7BA","Combretastatin A4","C18 H20 O5","COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O;COc1ccc(cc1O)C=Cc2cc(c(c(c2)OC)OC)OC","InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-","","2016-09-28","2017-01-13","2-methoxy-5-[(~{Z})-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","2017-01-18"],["KNS","6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine","C23 H31 F2 N3 O","c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CC(CN3C)OCC;CCO[CH]1C[CH](CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2)N(C)C1;CCOC1CC(N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C","InChI=1S/C23H31F2N3O/c1-4-29-20-13-19(28(3)14-20)8-5-16-11-17(23(25)21(24)12-16)6-7-18-9-15(2)10-22(26)27-18/h9-12,19-20H,4-8,13-14H2,1-3H3,(H2,26,27)/t19-,20+/m0/s1","","2019-01-03","2019-03-08","6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["KNT","pranlukast","C27 H23 N5 O4","O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4;c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5","InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)","","2019-06-12","2019-10-25","~{N}-[4-oxidanylidene-2-(1~{H}-1,2,3,4-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide","2019-10-30"],["7BB","trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid","C15 H24 N2 O6 S","O=C(OC1CCC(C(=O)O)CC1)N(C(=CS)N)CCCCC(=O)O;NC(=CS)N(CCCCC(O)=O)C(=O)O[CH]1CC[CH](CC1)C(O)=O;C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)C(=CS)N","InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11-","","2012-01-04","2024-09-27","trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid",""],["KNU","N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide","C10 H11 Cl F N O","Fc1cc(cc(Cl)c1)C(C)NC(C)=O;C[CH](NC(C)=O)c1cc(F)cc(Cl)c1;CC(c1cc(cc(c1)Cl)F)NC(=O)C","InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1","","2023-08-14","2024-09-27","N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide","2023-11-08"],["7BC","3-(acryloyloxy)propanoic acid","C6 H8 O4","O=C(OCCC(=O)O)[C@H]=C;OC(=O)CCOC(=O)C=C;C=CC(=O)OCCC(=O)O","InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)","","2016-09-28","2017-06-09","3-(acryloyloxy)propanoic acid","2017-06-14"],["KNV","6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C20 H25 F2 N3","c2(CCc1cc(cc(n1)N)C)c(F)c(F)cc(c2)CCC3CCN3C;CN1CC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCN3C","InChI=1S/C20H25F2N3/c1-13-9-16(24-19(23)10-13)5-4-15-11-14(12-18(21)20(15)22)3-6-17-7-8-25(17)2/h9-12,17H,3-8H2,1-2H3,(H2,23,24)/t17-/m0/s1","","2019-01-03","2019-03-08","6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["7BD","3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid","C16 H13 N O3","O=C(O)CCON=C3c1ccccc1c2c3cccc2;OC(=O)CCON=C1c2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O","InChI=1S/C16H13NO3/c18-15(19)9-10-20-17-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,18,19)","3-(9H-fluoren-9-ylideneaminooxy)propanoic acid","2009-04-06","2021-03-01","3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid",""],["KNW","(2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-\ndihydro-1,4-benzoxazine-2-carboxylic acid","C30 H30 Cl F N2 O7","OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCc4cc(F)ccc4Cl)cc3)cccc12)C(O)=O;c1cc(c2c(c1)N(CC(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F","InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1","ONO-2570366","2019-06-13","2020-06-17","(2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid","2019-12-11"],["7BE","(2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid","C26 H30 O4","CC1(C)CCC(C)(C)c2cc3O[C]4(CCc5cc(ccc5O4)C(O)=O)CCc3cc12;CC1(CCC(c2c1cc3c(c2)OC4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C","InChI=1S/C26H30O4/c1-24(2)11-12-25(3,4)20-15-22-17(14-19(20)24)8-10-26(30-22)9-7-16-13-18(23(27)28)5-6-21(16)29-26/h5-6,13-15H,7-12H2,1-4H3,(H,27,28)/t26-/m0/s1","","2016-09-28","2017-04-21","(2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid","2017-04-26"],["KNX","5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine","C27 H36 Cl2 N8 O5","O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O;N[CH](CCN(CCCC[CH]1CNCc2c(Cl)c(Cl)ccc12)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1cc(c(c2c1C(CNC2)CCCCN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)Cl)Cl","InChI=1S/C27H36Cl2N8O5/c28-17-5-4-15-14(9-32-10-16(15)20(17)29)3-1-2-7-36(8-6-18(30)27(40)41)11-19-22(38)23(39)26(42-19)37-13-35-21-24(31)33-12-34-25(21)37/h4-5,12-14,18-19,22-23,26,32,38-39H,1-3,6-11,30H2,(H,40,41)(H2,31,33,34)/t14-,18-,19+,22+,23+,26+/m0/s1","","2022-02-08","2023-02-10","5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine","2023-02-15"],["7BF","5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline","C19 H18 N6 O","C1C[CH](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45;c1cc2cnccc2c(c1)OCC3CCCN3c4ccnc5n4ncn5","InChI=1S/C19H18N6O/c1-3-14-11-20-8-6-16(14)17(5-1)26-12-15-4-2-10-24(15)18-7-9-21-19-22-13-23-25(18)19/h1,3,5-9,11,13,15H,2,4,10,12H2/t15-/m1/s1","","2016-09-29","2017-08-11","5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline","2017-08-16"],["KNZ","(2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but\nyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid","C30 H29 F3 N2 O8","OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCOc4cccc(F)c4F)cc3F)cccc12)C(O)=O;c1cc(c2c(c1)N(CC(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F","InChI=1S/C30H29F3N2O8/c31-20-6-3-9-24(27(20)33)42-15-2-1-14-41-18-11-12-19(21(32)16-18)29(38)34-22-7-4-8-23-28(22)43-25(30(39)40)17-35(23)13-5-10-26(36)37/h3-4,6-9,11-12,16,25H,1-2,5,10,13-15,17H2,(H,34,38)(H,36,37)(H,39,40)/t25-/m0/s1","ONO-2080365","2019-06-13","2020-06-17","(2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid","2019-12-11"],["7BG","2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-6-oxo-6,9-dihydro-1H-purin-7-ium","C17 H20 F N5 O7 P","OP(OCC1C(C(C(O1)n2c[n+](c3c2N=C(N)NC3=O)Cc4ccccc4)F)O)(=O)O;NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4F;c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)F","InChI=1S/C17H19FN5O7P/c18-11-13(24)10(7-29-31(26,27)28)30-16(11)23-8-22(6-9-4-2-1-3-5-9)12-14(23)20-17(19)21-15(12)25/h1-5,8,10-11,13,16,24H,6-7H2,(H4-,19,20,21,25,26,27,28)/p+1/t10-,11+,13-,16-/m1/s1","","2015-03-16","2016-03-04","2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-6-oxo-6,9-dihydro-1H-purin-7-ium","2016-03-09"],["KO0","Himbacine","C22 H35 N O2","C[CH]1CCC[CH](C=C[CH]2[CH]3CCCC[CH]3C[CH]4[CH]2[CH](C)OC4=O)N1C;CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C","InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1","(3S,3aR,4S,4R,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one","2022-05-31","2023-01-20","(3~{S},3~{a}~{R},4~{S},4~{a}~{R},8~{a}~{R},9~{a}~{S})-4-[(~{E})-2-[(2~{R},6~{S})-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3~{a},4,4~{a},5,6,7,8,8~{a},9,9~{a}-decahydro-3~{H}-benzo[f][2]benzofuran-1-one","2023-01-25"],["7BH","6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine","C17 H19 N5 O","Cc1ccccc1OC[CH]2CCCN2c3ncnc4nc[nH]c34;Cc1ccccc1OCC2CCCN2c3c4c(nc[nH]4)ncn3","InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1","","2016-09-29","2017-08-11","6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine","2017-08-16"],["7BI","dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium","C7 H13 O4 S","C[S+](C)CCC(O)=C(O)C(O)=O;C[S+](C)CCC(=C(C(=O)O)O)O","InChI=1S/C7H12O4S/c1-12(2)4-3-5(8)6(9)7(10)11/h3-4H2,1-2H3,(H2-,8,9,10,11)/p+1/b6-5-","","2021-08-04","2022-08-05","dimethyl-[(~{Z})-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium","2022-08-10"],["KO1","D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid","C8 H14 O9","O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O;OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O;C(C(C1C(C(C(C(O1)(C(=O)O)O)O)O)O)O)O","InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1","D-glycero-alpha-D-talo-oct-2-ulosonic acid; D-glycero-D-talo-oct-2-ulosonic acid; D-glycero-talo-oct-2-ulosonic acid","2008-01-15","2020-07-17","D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid",""],["7BJ","3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione","C16 H19 F N2 O3","Fc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1;c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F","InChI=1S/C16H19FN2O3/c17-12-4-6-13(7-5-12)22-11-10-19-14(20)16(18-15(19)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,21)","","2016-09-29","2016-12-16","3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione","2016-12-21"],["KO2","prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid","C11 H18 O9","O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1O;OC[CH](O)[CH]1O[C](OCC=C)([CH](O)[CH](O)[CH]1O)C(O)=O;C=CCOC1(C(C(C(C(O1)C(CO)O)O)O)O)C(=O)O","InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1","prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid; prop-2-en-1-yl D-glycero-D-talo-oct-2-ulosidonic acid;\nprop-2-en-1-yl D-glycero-talo-oct-2-ulosidonic acid","2008-01-18","2020-07-17","prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid",""],["KO3","[(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol","C27 H42 O3","CCCCCCC(C)(C)c1cc(OC)c([CH]2C=C(CO)[CH]3C[CH]2C3(C)C)c(OC)c1;CCCCCCC(C)(C)c1cc(c(c(c1)OC)C2C=C(C3CC2C3(C)C)CO)OC","InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1","","2022-10-03","2023-05-05","[(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol","2023-05-10"],["7BK","2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile","C20 H19 F N2 O2","C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3;CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3","InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1","","2016-09-29","2016-12-16","2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile","2016-12-21"],["KO4","POTASSIUM ION, 4 WATERS COORDINATED","H8 K O4","O|[K](|O)(|O)|O;[OH2][K]([OH2])([OH2])[OH2]","InChI=1/K.4H2O/h;4*1H2/rH8KO4/c2-1(3,4)5/h2-5H2","","2002-01-22","2008-10-14","",""],["7BL","(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one","C27 H40 O4","CC=[C@H]CC(=C/C1CC=CC=CCC(C=C(C(OC)CC=CC(CC(O1)=O)O)C)C)C;CO[CH]1CC=C[CH](O)CC(=O)O[CH](CC=CC=CC[CH](C)C=C1C)C=C(C)CC=CC;CC=CCC(=CC1CC=CC=CCC(C=C(C(CC=CC(CC(=O)O1)O)OC)C)C)C","InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1","biselyngbyolide B","2015-03-16","2021-03-01","(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one","2016-01-13"],["KO5","(2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih\nydro-1,4-benzoxazine-2-carboxylic acid","C31 H33 F N2 O7","Cc1ccc(F)cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4N(CCCC(O)=O)C[CH](Oc34)C(O)=O;Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(CN4CCCC(=O)O)C(=O)O)F","InChI=1S/C31H33FN2O7/c1-20-10-13-23(32)18-22(20)6-2-3-17-40-24-14-11-21(12-15-24)30(37)33-25-7-4-8-26-29(25)41-27(31(38)39)19-34(26)16-5-9-28(35)36/h4,7-8,10-15,18,27H,2-3,5-6,9,16-17,19H2,1H3,(H,33,37)(H,35,36)(H,38,39)/t27-/m0/s1","ONO-2770372","2019-06-13","2020-06-17","(2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid","2019-12-11"],["7BN","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","C24 H39 N5 O14","CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(CCC(=O)NCC[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nn2)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCCC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C24H39N5O14/c1-10(32)26-17-12(33)6-24(23(40)41,43-22(17)18(36)13(34)8-30)29-7-11(27-28-29)2-3-16(35)25-5-4-14-19(37)21(39)20(38)15(9-31)42-14/h7,12-15,17-22,30-31,33-34,36-39H,2-6,8-9H2,1H3,(H,25,35)(H,26,32)(H,40,41)/t12-,13+,14-,15+,17+,18+,19-,20-,21+,22+,24+/m0/s1","","2016-09-29","2017-05-26","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2017-05-31"],["KO8","1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione","C25 H31 F N4 O3","CC(C)CN1C(=O)CN(Cc2ccc(cc2)c3ccc(F)c(CNC4CCOCC4)n3)C1=O;CC(C)CN1C(=O)CN(C1=O)Cc2ccc(cc2)c3ccc(c(n3)CNC4CCOCC4)F","InChI=1S/C25H31FN4O3/c1-17(2)14-30-24(31)16-29(25(30)32)15-18-3-5-19(6-4-18)22-8-7-21(26)23(28-22)13-27-20-9-11-33-12-10-20/h3-8,17,20,27H,9-16H2,1-2H3","","2022-10-03","2023-05-05","1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione","2023-05-10"],["7BO","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","C24 H39 N5 O14","CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(CCC(=O)NCC[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nn2)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCCC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C24H39N5O14/c1-10(32)26-17-12(33)6-24(23(40)41,43-22(17)18(36)13(34)8-30)29-7-11(27-28-29)2-3-16(35)25-5-4-14-19(37)21(39)20(38)15(9-31)42-14/h7,12-15,17-22,30-31,33-34,36-39H,2-6,8-9H2,1H3,(H,25,35)(H,26,32)(H,40,41)/t12-,13+,14-,15+,17+,18+,19-,20-,21+,22+,24+/m0/s1","","2016-09-29","2018-02-06","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2017-05-31"],["7BP","5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile","C17 H21 F N2 O2","CC(C)(C)[CH]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1;CC(C)(C)C1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F","InChI=1S/C17H21FN2O2/c1-17(2,3)13-9-16(21)20(11-13)6-7-22-14-4-5-15(18)12(8-14)10-19/h4-5,8,13H,6-7,9,11H2,1-3H3/t13-/m1/s1","","2016-09-29","2016-12-16","5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile","2016-12-21"],["KO9","N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide","C13 H10 N4 O","O=C(Nc1cc(cnc1)C#N)Cc1cccnc1;O=C(Cc1cccnc1)Nc2cncc(c2)C#N;c1cc(cnc1)CC(=O)Nc2cc(cnc2)C#N","InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18)","","2023-08-14","2023-11-03","N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide","2023-11-08"],["7BQ","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","C32 H46 N6 O15","CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(C[CH](NC(=O)Cc3ccccc3)C(=O)NCC[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)nn2)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)n2cc(nn2)CC(C(=O)NCCC3C(C(C(C(O3)CO)O)O)O)NC(=O)Cc4ccccc4)O","InChI=1S/C32H46N6O15/c1-15(41)34-24-19(42)11-32(31(50)51,53-29(24)25(45)20(43)13-39)38-12-17(36-37-38)10-18(35-23(44)9-16-5-3-2-4-6-16)30(49)33-8-7-21-26(46)28(48)27(47)22(14-40)52-21/h2-6,12,18-22,24-29,39-40,42-43,45-48H,7-11,13-14H2,1H3,(H,33,49)(H,34,41)(H,35,44)(H,50,51)/t18-,19+,20-,21+,22-,24-,25-,26+,27+,28-,29-,32-/m1/s1","","2016-09-29","2017-05-26","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2017-05-31"],["KOB","2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide","C13 H10 F N5 O4 S","Fc1ccc(cc1)NC(=S)NNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O;[O-][N+](=O)c1ccc(NNC(=S)Nc2ccc(F)cc2)c(c1)[N+]([O-])=O;c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F","InChI=1S/C13H10FN5O4S/c14-8-1-3-9(4-2-8)15-13(24)17-16-11-6-5-10(18(20)21)7-12(11)19(22)23/h1-7,16H,(H2,15,17,24)","","2012-08-29","2013-05-17","2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide","2013-05-22"],["7BR","2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile","C19 H23 F N2 O4 S","CC1(CC[S](=O)(=O)CC1)[CH]2CN(CCOc3ccc(F)c(c3)C#N)C(=O)C2;CC1(CCS(=O)(=O)CC1)C2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F","InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1","","2016-09-29","2016-12-16","2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile","2016-12-21"],["KOC","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide","C35 H40 F2 N5 O7 P S2","O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c1ccc(cc1)c1nccs1)C(C)(C)C;CN(C)C(=O)CCN(C(=O)[CH]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc(cc4)c5sccn5;CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c2ccc(cc2)c3nccs3)NC(=O)c4cc5cc(ccc5s4)C(F)(F)P(=O)(O)O","InChI=1S/C35H40F2N5O7PS2/c1-34(2,3)29(39-30(44)27-20-22-19-23(10-13-26(22)52-27)35(36,37)50(47,48)49)33(46)42-16-6-7-25(42)32(45)41(17-14-28(43)40(4)5)24-11-8-21(9-12-24)31-38-15-18-51-31/h8-13,15,18-20,25,29H,6-7,14,16-17H2,1-5H3,(H,39,44)(H2,47,48,49)/t25-,29+/m0/s1","AK2305","2022-02-08","2023-02-10","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide","2023-02-15"],["KOE","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H17 Br F3 N3 O4 S","OC[CH]1O[CH](Sc2cccc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(cc(c1)Br)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O","InChI=1S/C20H17BrF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1","","2019-06-13","2020-07-03","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2020-07-08"],["7BS","(4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside","C34 H52 O9","COC2CC=CC(OC1OC(C(C(C1O)OC)O)CO)CC(OC(CC=CC=CCC(C=C2C)C)[C@H]=C(C)C[C@H]=CC)=O;CO[CH]1CC=C[CH](CC(=O)O[CH](CC=CC=CC[CH](C)C=C1C)C=C(C)CC=CC)O[CH]2O[CH](CO)[CH](O)[CH](OC)[CH]2O;CC=CCC(=CC1CC=CC=CCC(C=C(C(CC=CC(CC(=O)O1)OC2C(C(C(C(O2)CO)O)OC)O)OC)C)C)C","InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1","Biselyngbyaside","2015-02-27","2021-03-01","(4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside","2016-01-13"],["KOF","beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate","C10 H21 O12 P","OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O","InChI=1S/C10H21O12P/c11-1-6-8(15)9(16)10(22-6)20-2-4(12)7(14)5(13)3-21-23(17,18)19/h4-16H,1-3H2,(H2,17,18,19)/t4-,5+,6+,7-,8+,9+,10+/m0/s1","(2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate","2022-05-31","2023-04-21","[(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2023-04-26"],["7BT","(~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide","C20 H29 N O9","COc1cc(C=CC(=O)NCC[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)C=CC(=O)NCCC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C20H29NO9/c1-27-13-8-11(9-14(28-2)20(13)29-3)4-5-16(23)21-7-6-12-17(24)19(26)18(25)15(10-22)30-12/h4-5,8-9,12,15,17-19,22,24-26H,6-7,10H2,1-3H3,(H,21,23)/b5-4-/t12-,15-,17+,18+,19-/m1/s1","Laura237","2016-09-29","2021-03-01","(~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide","2017-05-31"],["KOH","3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid","C12 H11 Cl N2 O3","OC(=O)CCOc1ccc(cc1Cl)c2[nH]ccn2;c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O","InChI=1S/C12H11ClN2O3/c13-9-7-8(12-14-4-5-15-12)1-2-10(9)18-6-3-11(16)17/h1-2,4-5,7H,3,6H2,(H,14,15)(H,16,17)","","2016-06-09","2016-06-17","3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid","2016-06-22"],["7BU","[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc","C24 H8 F12 N4 Zn","N51C6=C(C8=N2C(=C(C(F)(F)F)c4ccc3C(C(F)(F)F)=C7N([Zn]12n34)=C(C(=C5C=C6)C(F)(F)F)C=C7)C=C8)C(F)(F)F;FC(F)(F)C1=C2C=CC3=C(C4=NC(=C(c5ccc(n5[Zn]N23)C(=C6C=CC1=N6)C(F)(F)F)C(F)(F)F)C=C4)C(F)(F)F;c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F","InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;","[5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II)","2016-09-29","2021-03-13","[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc","2017-08-09"],["7BV","(4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C17 H19 N3 O2 S2","OC(=O)[CH]1CSC(=N1)c2sc3cc(ccc3n2)N4CCCCCC4;c1cc2c(cc1N3CCCCCC3)sc(n2)C4=NC(CS4)C(=O)O","InChI=1S/C17H19N3O2S2/c21-17(22)13-10-23-15(19-13)16-18-12-6-5-11(9-14(12)24-16)20-7-3-1-2-4-8-20/h5-6,9,13H,1-4,7-8,10H2,(H,21,22)/t13-/m1/s1","","2016-09-30","2017-09-22","(4~{S})-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2017-09-27"],["KOI","2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide","C13 H11 Cl N2 O","O=C(Nc1cccnc1)Cc1cccc(Cl)c1;Clc1cccc(CC(=O)Nc2cccnc2)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2","InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17)","","2023-08-14","2023-11-03","2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide","2023-11-08"],["KOJ","5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE","C6 H6 O4","O=C1C=C(OC=C1O)CO;OCC1=CC(=O)C(=CO1)O;C1=C(OC=C(C1=O)O)CO","InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2","","2001-11-23","2011-06-04","5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one",""],["7BW","5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile","C15 H17 F N2 O2","CC1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1;CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C","InChI=1S/C15H17FN2O2/c1-15(2)8-14(19)18(10-15)5-6-20-12-3-4-13(16)11(7-12)9-17/h3-4,7H,5-6,8,10H2,1-2H3","","2016-09-30","2016-12-16","5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile","2016-12-21"],["KOK","(2,3-dihydro-1H-indol-1-yl)(1H-1,2,3-triazol-1-yl)methanone","C11 H10 N4 O","O=C(n1ccnn1)N2c3c(CC2)cccc3;O=C(n1ccnn1)N2CCc3ccccc23;c1ccc2c(c1)CCN2C(=O)n3ccnn3","InChI=1S/C11H10N4O/c16-11(15-8-6-12-13-15)14-7-5-9-3-1-2-4-10(9)14/h1-4,6,8H,5,7H2","","2018-03-20","2024-09-27","(2,3-dihydro-1H-indol-1-yl)(1H-1,2,3-triazol-1-yl)methanone","2018-11-21"],["7BX","3-cyano-~{N}-cyclopropyl-benzenesulfonamide","C10 H10 N2 O2 S","O=[S](=O)(NC1CC1)c2cccc(c2)C#N;c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N","InChI=1S/C10H10N2O2S/c11-7-8-2-1-3-10(6-8)15(13,14)12-9-4-5-9/h1-3,6,9,12H,4-5H2","","2016-09-30","2016-12-16","3-cyano-~{N}-cyclopropyl-benzenesulfonamide","2016-12-21"],["KOL","(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid","C17 H27 N3 O5 S","O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(N2)C(C=O)C(O)C)C;C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O;CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C(C=O)C(C)O","InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-/m1/s1","Meropenem, open form","2011-06-13","2012-05-09","(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",""],["7BY","N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide","C20 H29 N5 O3","c21nc(nc(c1cc(c(c2)OC)OC)NCCCNC(=O)CC)N3CCCC3;CCC(=O)NCCCNc1nc(nc2cc(OC)c(OC)cc12)N3CCCC3;CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC","InChI=1S/C20H29N5O3/c1-4-18(26)21-8-7-9-22-19-14-12-16(27-2)17(28-3)13-15(14)23-20(24-19)25-10-5-6-11-25/h12-13H,4-11H2,1-3H3,(H,21,26)(H,22,23,24)","","2016-09-30","2024-09-27","N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide","2016-11-09"],["KOM","7,8-dihydroxy-4-phenyl-2H-chromen-2-one","C15 H10 O4","O=C2Oc1c(O)c(O)ccc1C(=C2)c3ccccc3;Oc1ccc2c(OC(=O)C=C2c3ccccc3)c1O;c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O","InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H","4-phenyl-7,8-dihydroxycoumarine","2008-11-12","2021-03-13","7,8-dihydroxy-4-phenyl-2H-chromen-2-one",""],["7BZ","N,N-dimethylboranamine","C2 H8 B N","BN(C)C;BN(C)C;BN(C)C","InChI=1S/C2H8BN/c1-4(2)3/h3H2,1-2H3","","2016-09-30","2017-03-03","N,N-dimethylboranamine","2017-03-08"],["7C0","(1S)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate","C13 H18 Cl N O3","O=C(OC(CCCCCN)c1cc(ccc1)Cl)O;NCCCCC[CH](OC(O)=O)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(CCCCCN)OC(=O)O","InChI=1S/C13H18ClNO3/c14-11-6-4-5-10(9-11)12(18-13(16)17)7-2-1-3-8-15/h4-6,9,12H,1-3,7-8,15H2,(H,16,17)/t12-/m0/s1","","2016-09-30","2017-01-06","(1S)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate","2017-01-11"],["KON","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H17 F3 I N3 O4 S","OC[CH]1O[CH](Sc2cccc(I)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(cc(c1)I)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O","InChI=1S/C20H17F3IN3O4S/c21-12-4-9(5-13(22)16(12)23)14-7-27(26-25-14)17-18(29)15(8-28)31-20(19(17)30)32-11-3-1-2-10(24)6-11/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1","","2019-06-13","2020-07-03","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2020-07-08"],["7C1","4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide","C16 H13 N3 O2","O=C2c1cccc(c1C(=O)N2c3ccc(C(=[N@H])N)cc3)C;Cc1cccc2C(=O)N(C(=O)c12)c3ccc(cc3)C(N)=N;Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=N)N","InChI=1S/C16H13N3O2/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18/h2-8H,1H3,(H3,17,18)","4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-carboximidamide","2009-08-06","2021-03-13","4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide",""],["KOO","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide","C52 H54 F2 N7 O10 P S2","O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)CCCC#Cc1cccc2C(=O)N(Cc21)C1CCC(=O)NC1=O)c1ccc(cc1)c1nccs1)C(C)(C)C;CN(CCCC#Cc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O)C(=O)CCN(C(=O)[CH]4CCCN4C(=O)[CH](NC(=O)c5sc6ccc(cc6c5)C(F)(F)[P](O)(O)=O)C(C)(C)C)c7ccc(cc7)c8sccn8;CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)CCCC#Cc2cccc3c2CN(C3=O)C4CCC(=O)NC4=O)c5ccc(cc5)c6nccs6)NC(=O)c7cc8cc(ccc8s7)C(F)(F)P(=O)(O)O","InChI=1S/C52H54F2N7O10PS2/c1-51(2,3)44(57-46(65)41-29-33-28-34(16-20-40(33)74-41)52(53,54)72(69,70)71)50(68)60-25-9-13-39(60)49(67)59(35-17-14-32(15-18-35)47-55-23-27-73-47)26-22-43(63)58(4)24-7-5-6-10-31-11-8-12-36-37(31)30-61(48(36)66)38-19-21-42(62)56-45(38)64/h8,11-12,14-18,20,23,27-29,38-39,44H,5,7,9,13,19,21-22,24-26,30H2,1-4H3,(H,57,65)(H,56,62,64)(H2,69,70,71)/t38-,39+,44-/m1/s1","AK2292","2022-02-08","2023-02-10","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide","2023-02-15"],["7C2","(6R)-1-aminoundecan-6-yl hydrogen carbonate","C12 H25 N O3","CCCCCC(CCCCCN)OC(O)=O;CCCCC[CH](CCCCCN)OC(O)=O;CCCCCC(CCCCCN)OC(=O)O","InChI=1S/C12H25NO3/c1-2-3-5-8-11(16-12(14)15)9-6-4-7-10-13/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m1/s1","","2016-09-30","2017-01-06","(6R)-1-aminoundecan-6-yl hydrogen carbonate","2017-01-11"],["KOP","methyl dihydrogen phosphate","C H5 O4 P","O=P(OC)(O)O;CO[P](O)(O)=O;COP(=O)(O)O","InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)","","2011-01-06","2011-12-23","methyl dihydrogen phosphate",""],["7C3","6-azanyl-2-oxidanylidene-hexanoic acid","C6 H11 N O3","NCCCCC(=O)C(O)=O;C(CCN)CC(=O)C(=O)O","InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)","","2016-10-03","2017-04-07","6-azanyl-2-oxidanylidene-hexanoic acid","2017-04-12"],["KOQ","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","C20 H26 F N3 O9 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)[CH](O)[CH](O)[CH]1O;c1cc(ccc1c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O)F","InChI=1S/C20H26FN3O9S/c21-9-3-1-8(2-4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1","","2019-06-13","2020-07-03","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","2020-07-08"],["KOR","L-HOMOCYSTEINE-S-N-S-L-CYSTEINE","C7 H15 N3 O5 S2","O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N;N[CH](CCSN[S](=O)C[CH](N)C(O)=O)C(O)=O;C(CSNS(=O)CC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-16-10-17(15)3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1","N-THIOSULFOXIMIDE","2006-03-17","2024-09-27","S-({(R)-[(2R)-2-amino-2-carboxyethyl]sulfinyl}amino)-L-homocysteine",""],["7C4","(2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide","C57 H89 N7 O15","CC[CH](C)[CH]1NC(=O)[CH](NC(=O)[CH](CC(C)C)N(C)C(=O)[CH]2CCCN2C(=O)[CH](C)O)[CH](C)OC(=O)[CH](Cc3ccc(OC)cc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH](CC(C)C)NC(=O)[CH](C)C(=O)[CH](OC(=O)C[CH]1O)C(C)C;CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O","InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1","","2016-10-03","2016-11-25","(2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide","2016-11-30"],["KOS","17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN","C32 H48 N4 O8","O=C1C(NCCN(C)C)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1","17-DMAG","2003-03-20","2020-06-17","(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate",""],["7C5","5'-O-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine","C17 H16 N10 O6","NC=4Nc5ncc(C(OCC3C(O)C(C(n2cnc1c2ncnc1N)O3)O)=O)nc5C(N=4)=O;NC1=NC(=O)c2nc(cnc2N1)C(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C17H16N10O6/c18-11-7-13(22-3-21-11)27(4-23-7)15-10(29)9(28)6(33-15)2-32-16(31)5-1-20-12-8(24-5)14(30)26-17(19)25-12/h1,3-4,6,9-10,15,28-29H,2H2,(H2,18,21,22)(H3,19,20,25,26,30)/t6-,9-,10-,15-/m1/s1","","2016-10-03","2017-01-13","5'-O-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine","2017-01-18"],["KOT","1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole","C14 H17 N3 O5","n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(nn2)c3ccccc3;c1ccc(cc1)c2cn(nn2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1","1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole; 1-D-glucosyl-4-phenyl-1H-1,2,3-triazole;\n1-glucosyl-4-phenyl-1H-1,2,3-triazole","2009-02-05","2020-07-17","1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole",""],["7C6","(3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one","C19 H19 N3 O5 S","CC3C2C(N(C)c1ccncc1C2CN3S(c4ccc5c(c4)OCO5)(=O)=O)=O;C[CH]1[CH]2[CH](CN1[S](=O)(=O)c3ccc4OCOc4c3)c5cnccc5N(C)C2=O;CC1C2C(CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C","InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1","","2016-10-03","2017-01-13","(3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one","2017-01-18"],["KOU","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine","C11 H15 N2 O8 P","O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CO)C(=O)O)O","InChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m0/s1","","2010-11-09","2011-06-04","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine",""],["7C7","N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide","C32 H40 N4 O5","C(NC(C(=O)NC(C(=O)NCc1c2c(ccc1)cccc2)COC)CC(N(CC)CC)=O)(=O)CCc3ccccc3;CCN(CC)C(=O)C[CH](NC(=O)CCc1ccccc1)C(=O)N[CH](COC)C(=O)NCc2cccc3ccccc23;CCN(CC)C(=O)CC(C(=O)NC(COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3","InChI=1S/C32H40N4O5/c1-4-36(5-2)30(38)20-27(34-29(37)19-18-23-12-7-6-8-13-23)32(40)35-28(22-41-3)31(39)33-21-25-16-11-15-24-14-9-10-17-26(24)25/h6-17,27-28H,4-5,18-22H2,1-3H3,(H,33,39)(H,34,37)(H,35,40)/t27-,28-/m0/s1","","2016-10-03","2017-01-06","N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide","2017-01-11"],["KOV","(6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","C16 H16 N4 O8 S","O=C(O)C=2N3C(=O)C(NC(=O)C(=NOC)/c1occc1)C3SCC=2COC(=O)N;CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)c3occc3;CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O","InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1","Cefuroxime","2013-05-13","2021-03-01","(6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2013-06-05"],["7C8","[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate","C36 H54 Cl2 N2 O4","C[CH](CCCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C;CC(CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C","InChI=1S/C36H54Cl2N2O4/c1-23(5-4-12-39-13-15-40(16-14-39)34(43)44-22-24-17-26(37)21-27(38)18-24)29-6-7-30-33-31(9-11-36(29,30)3)35(2)10-8-28(41)19-25(35)20-32(33)42/h17-18,21,23,25,28-33,41-42H,4-16,19-20,22H2,1-3H3/t23-,25+,28-,29-,30+,31+,32+,33+,35+,36-/m1/s1","","2016-10-05","2017-08-11","[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate","2017-08-16"],["KOW","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","C20 H26 F N3 O9 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O","InChI=1S/C20H26FN3O9S/c21-9-3-1-2-8(4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1","","2019-06-13","2020-07-03","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","2020-07-08"],["7C9","O-methyl-L-serine","C4 H9 N O3","O(CC(N)C(=O)O)C;COC[CH](N)C(O)=O;COCC(C(=O)O)N","InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","2016-10-03","2024-09-27","O-methyl-L-serine","2017-01-11"],["KOX","4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one","C11 H9 Cl N2 O S","Clc1ccccc1CSC2=NC(=O)N=CC2;c1ccc(c(c1)CSC2=NC(=O)N=CC2)Cl","InChI=1S/C11H9ClN2OS/c12-9-4-2-1-3-8(9)7-16-10-5-6-13-11(15)14-10/h1-4,6H,5,7H2","","2022-06-01","2023-09-15","4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one","2023-09-20"],["7CA","5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE","C27 H32 O10","O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3c(c(O)cc(O)c23)CCC(C)C)c4ccc(OC)cc4;COc1ccc(cc1)C2=C(O[CH]3O[CH](C)[CH](O)[CH](O)[CH]3O)C(=O)c4c(O)cc(O)c(CCC(C)C)c4O2;CC1C(C(C(C(O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O","InChI=1S/C27H32O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h6-9,11-13,20,22-23,27-30,32-33H,5,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1","ICARISID II","2006-05-26","2021-03-01","5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside",""],["7CB","isoquinoline-5-sulfonamide","C9 H8 N2 O2 S","N[S](=O)(=O)c1cccc2cnccc12;c1cc2cnccc2c(c1)S(=O)(=O)N","InChI=1S/C9H8N2O2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H2,10,12,13)","","2016-10-05","2018-06-01","isoquinoline-5-sulfonamide","2018-06-06"],["KOY","5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine","C26 H25 N5 O7","c12n(cnc1c(ncn2)N)C5OC(COc4cc(CCC(c3c(C(O)=O)cccc3)=O)ccc4)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](COc4cccc(CCC(=O)c5ccccc5C(O)=O)c4)[CH](O)[CH]3O;c1ccc(c(c1)C(=O)CCc2cccc(c2)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C(=O)O","InChI=1S/C26H25N5O7/c27-23-20-24(29-12-28-23)31(13-30-20)25-22(34)21(33)19(38-25)11-37-15-5-3-4-14(10-15)8-9-18(32)16-6-1-2-7-17(16)26(35)36/h1-7,10,12-13,19,21-22,25,33-34H,8-9,11H2,(H,35,36)(H2,27,28,29)/t19-,21-,22-,25-/m1/s1","","2019-01-03","2019-04-05","5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine","2019-04-10"],["KOZ","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H17 Cl F3 N3 O4 S","OC[CH]1O[CH](Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O","InChI=1S/C20H17ClF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1","","2019-06-13","2020-07-03","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2020-07-08"],["7CC","N,N-diethyl-L-asparagine","C8 H16 N2 O3","O=C(O)C(CC(N(CC)CC)=O)N;CCN(CC)C(=O)C[CH](N)C(O)=O;CCN(CC)C(=O)CC(C(=O)O)N","InChI=1S/C8H16N2O3/c1-3-10(4-2)7(11)5-6(9)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)/t6-/m0/s1","","2016-10-03","2024-09-27","N,N-diethyl-L-asparagine","2017-01-11"],["KP0","N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea","C20 H24 Cl N3 O","O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1;Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3;c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3cccnc3","InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25)","","2023-08-14","2023-11-03","N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea","2023-11-08"],["7CD","1-(naphthalen-1-yl)methanamine","C11 H11 N","c1ccc(c2c1cccc2)CN;NCc1cccc2ccccc12;c1ccc2c(c1)cccc2CN","InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2","","2016-10-03","2017-01-06","1-(naphthalen-1-yl)methanamine","2017-01-11"],["KP1","2,4-dimethylpentane-2,4-diol","C7 H16 O2","OC(C)(C)CC(O)(C)C;CC(C)(O)CC(C)(C)O;CC(C)(CC(C)(C)O)O","InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3","","2013-05-22","2014-04-18","2,4-dimethylpentane-2,4-diol","2014-04-23"],["7CE","N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","C17 H14 N4 O2","n1cc(oc1)c4nc3c(cnc(Nc2ccccc2OC)c3)c4;COc1ccccc1Nc2cc3[nH]c(cc3cn2)c4ocnc4;COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2","InChI=1S/C17H14N4O2/c1-22-15-5-3-2-4-12(15)21-17-7-13-11(8-19-17)6-14(20-13)16-9-18-10-23-16/h2-10,20H,1H3,(H,19,21)","","2013-09-05","2014-09-05","N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","2013-12-04"],["KP2","5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C12 H11 N5","n1c(c2c(nc1N)ncc2c3ccccc3)N;Nc1nc(N)c2c([nH]cc2c3ccccc3)n1;c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N","InChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17)","","2014-01-16","2015-01-16","5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["7CF","[3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate","C36 H52 Cl2 N2 O5","C[CH](CCC(=O)N[CH]1CCN(C1)C(=O)OCc2cc(Cl)cc(Cl)c2)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C;CC(CCC(=O)NC1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C","InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1","","2016-10-05","2017-08-11","[3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate","2017-08-16"],["KP3","5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine","C28 H32 N8 O8","O=C2c1c(O)c(c(c(c1CO2)C)OC)CC=C(/C)Cn3cc(nn3)COCC6C(O)C(C(n4cnc5c4ncnc5N)O6)O;COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)Cn3cc(COC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)nn3;Cc1c2c(c(c(c1OC)CC=C(C)Cn3cc(nn3)COCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2","InChI=1S/C28H32N8O8/c1-13(4-5-16-21(37)19-17(9-43-28(19)40)14(2)24(16)41-3)6-35-7-15(33-34-35)8-42-10-18-22(38)23(39)27(44-18)36-12-32-20-25(29)30-11-31-26(20)36/h4,7,11-12,18,22-23,27,37-39H,5-6,8-10H2,1-3H3,(H2,29,30,31)/b13-4+/t18-,22-,23-,27-/m1/s1","","2015-05-12","2015-06-12","5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine","2015-06-17"],["7CG","2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","C16 H14 Br2 N2 O3 S","c3c(S(=O)(Nc1cc(ccc1)N2CCCC2=O)=O)c(Br)ccc3Br;Brc1ccc(Br)c(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O;c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br","InChI=1S/C16H14Br2N2O3S/c17-11-6-7-14(18)15(9-11)24(22,23)19-12-3-1-4-13(10-12)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2","","2016-10-04","2017-08-04","2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","2017-08-09"],["KP5","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","C20 H26 F N3 O9 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4F)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O)F","InChI=1S/C20H26FN3O9S/c21-9-4-2-1-3-8(9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1","","2019-06-13","2020-07-03","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","2020-07-08"],["7CH","(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide","C11 H13 N4 O6 P","O=P3(OCC4OC(n2c1ncnc(N)c1cc2)C(O)C4O3)O;Nc1ncnc2n(ccc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O;c1cn(c2c1c(ncn2)N)C3C(C4C(O3)COP(=O)(O4)O)O","InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)/t6-,7-,8-,11-/m1/s1","7-CH-cAMP","2013-12-16","2021-03-01","(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide","2014-03-19"],["7CI","7-cyano-7-deazainosine","C12 H12 N4 O5","OC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#N)c3C(=O)NC=Nc23;c1c(c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O)C#N","InChI=1S/C12H12N4O5/c13-1-5-2-16(10-7(5)11(20)15-4-14-10)12-9(19)8(18)6(3-17)21-12/h2,4,6,8-9,12,17-19H,3H2,(H,14,15,20)/t6-,8-,9-,12-/m1/s1","","2018-02-22","2019-03-29","7-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2019-04-03"],["KP6","2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol","C8 H14 N2 O","OCCc1c(nn(c1C)C)C;Cn1nc(C)c(CCO)c1C;Cc1c(c(n(n1)C)C)CCO","InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3","","2015-07-09","2016-03-18","2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol","2016-03-23"],["KP8","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H18 F3 N3 O4 S","OC[CH]1O[CH](Sc2ccccc2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O","InChI=1S/C20H18F3N3O4S/c21-12-6-10(7-13(22)16(12)23)14-8-26(25-24-14)17-18(28)15(9-27)30-20(19(17)29)31-11-4-2-1-3-5-11/h1-8,15,17-20,27-29H,9H2/t15-,17+,18+,19-,20-/m1/s1","","2019-06-13","2020-07-03","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2020-07-08"],["7CJ","3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","C16 H15 F N2 O3 S","C3CCN(c2cccc(NS(=O)(c1cccc(c1)F)=O)c2)C3=O;Fc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O;c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F","InChI=1S/C16H15FN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-2,4-7,10-11,18H,3,8-9H2","","2016-10-04","2017-08-04","3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","2017-08-09"],["KP9","Bilin 618 (single linked)","C33 H36 N4 O6","O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1/C=C/C(=O)O;CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)C=C)C(=C3C=CC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)C=CC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1","(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE","2022-02-09","2024-09-27","(2E)-3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]prop-2-enoic acid","2023-02-15"],["7CK","7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole","C21 H13 N3 O3","O=C(O)c5c4c1c6c(nc1c3c(c2ccccc2n3)c4c(O)n5)cccc6;OC(=O)c1[nH]c(O)c2c3c([nH]c4ccccc34)c5[nH]c6ccccc6c5c12;c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O","InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,22-25H,(H,26,27)","7-HYDROXY-12,13-DIHYDRO-6H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5-CARBOXYLIC ACID","2007-09-06","2021-03-13","7-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid",""],["KPA","2-OXO-5-PHOSPHONOPENTANOIC ACID","C5 H9 O6 P","O=C(C(=O)O)CCCP(=O)(O)O;OC(=O)C(=O)CCC[P](O)(O)=O;C(CC(=O)C(=O)O)CP(=O)(O)O","InChI=1S/C5H9O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-3H2,(H,7,8)(H2,9,10,11)","","2004-02-24","2011-06-04","2-oxo-5-phosphonopentanoic acid",""],["7CL","1-chloropentane","C5 H11 Cl","ClCCCCC;CCCCCCl;CCCCCCl","InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3","","2009-02-16","2011-06-04","1-chloropentane",""],["KPB","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H17 F4 N3 O4 S","OC[CH]1O[CH](Sc2cccc(F)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(cc(c1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F","InChI=1S/C20H17F4N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1","","2019-06-13","2020-07-03","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2020-07-08"],["7CM","3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","C16 H14 Cl F N2 O3 S","c2c(NS(=O)(c1ccc(c(c1)Cl)F)=O)cccc2N3CCCC3=O;Fc1ccc(cc1Cl)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O;c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F","InChI=1S/C16H14ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)19-11-3-1-4-12(9-11)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2","","2016-10-04","2017-08-04","3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","2017-08-09"],["7CN","3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide","C16 H13 Br N2 O3 S","C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O;Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O;c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br","InChI=1S/C16H13BrN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-7,9-11,18H,8H2","","2016-10-04","2017-08-04","3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide","2017-08-09"],["KPC","(2-[2-KETOPROPYLTHIO]ETHANESULFONATE","C5 H10 O4 S2","O=S(=O)(O)CCSCC(=O)C;CC(=O)CSCC[S](O)(=O)=O;CC(=O)CSCCS(=O)(=O)O","InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)","","2002-09-20","2011-06-04","2-[(2-oxopropyl)sulfanyl]ethanesulfonic acid",""],["7CO","2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","C16 H14 F2 N2 O3 S","c2c(NS(=O)(c1c(F)cccc1F)=O)cccc2N3CCCC3=O;Fc1cccc(F)c1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O;c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F","InChI=1S/C16H14F2N2O3S/c17-13-6-2-7-14(18)16(13)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2","","2016-10-04","2017-08-04","2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","2017-08-09"],["KPF","N-(1-carboxy-2-fluoro-ethenyl) lysine","C9 H15 F N2 O4","N[CH](CCCCN=C(CF)C(O)=O)C(O)=O;C(CCN=C(CF)C(=O)O)CC(C(=O)O)N","InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1","","2015-07-15","2024-09-27","(2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid","2015-11-18"],["KPG","[(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate","C6 H13 O10 P","OC(O)[CH](O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(=O)C(C(C(C(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h3-6,8-12H,1H2,(H2,13,14,15)/t3-,4+,5+/m1/s1","","2011-03-01","2012-01-06","[(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate",""],["7CP","(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile","C18 H18 Cl2 N4 O","N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3;CN1CCC2(CC1)NC(=O)c3n(C)c4c(Cl)c(Cl)ccc4c3[CH]2C#N;Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4(C3C#N)CCN(CC4)C","InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1","","2007-11-30","2011-06-04","(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",""],["7CQ","5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide","C17 H17 Br N2 O4 S","Brc1cc(c(OC)cc1)S(=O)(=O)Nc1cccc(c1)N1CCCC1=O;COc1ccc(Br)cc1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O;COc1ccc(cc1S(=O)(=O)Nc2cccc(c2)N3CCCC3=O)Br","InChI=1S/C17H17BrN2O4S/c1-24-15-8-7-12(18)10-16(15)25(22,23)19-13-4-2-5-14(11-13)20-9-3-6-17(20)21/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3","","2016-10-04","2024-02-19","5-bromo-2-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide","2017-08-09"],["KPH","[(1R)-1,5-diaminopentyl]phosphonic acid","C5 H15 N2 O3 P","O=P(O)(O)C(N)CCCCN;NCCCC[CH](N)[P](O)(O)=O;C(CCN)CC(N)P(=O)(O)O","InChI=1S/C5H15N2O3P/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1","","1999-07-08","2011-06-04","[(1R)-1,5-diaminopentyl]phosphonic acid",""],["KPI","(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid","C9 H16 N2 O4","OC(C(N)CCCCN=C(/C)C(O)=O)=O;CC(=NCCCC[CH](N)C(O)=O)C(O)=O;CC(=NCCCCC(C(=O)O)N)C(=O)O","InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1","","2008-07-25","2024-09-27","(E)-N~6~-(1-carboxyethylidene)-L-lysine",""],["7CR","[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate","C22 H23 Cl2 N3 O5","O[CH](CCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)c3ccc4NC(=O)Oc4c3;c1cc2c(cc1C(CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2","InChI=1S/C22H23Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12,19,28H,3-8,13H2,(H,25,29)/t19-/m1/s1","","2016-10-05","2017-08-11","[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate","2017-08-16"],["KPJ","6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","C21 H27 F2 N3","c3(CCc1cc(cc(N)n1)C)cc(CCC2CCCN2C)cc(c3F)F;CN1CCC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCCN3C","InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m1/s1","","2019-01-03","2019-03-08","6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine","2019-03-13"],["7CS","(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE","C16 H19 N3 O2","O=C(OC2CC1N(C)C(CC1)C2)c4c3cccnc3nc4;CN1[CH]2CC[CH]1CC(C2)OC(=O)c3c[nH]c4ncccc34;CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccn4","InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+","","2007-07-11","2011-06-04","(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate",""],["KPK","4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid","C21 H20 N2 O2 S2","O=C(O)CCCSc2nc1ccccc1n2Cc3c4c(cccc4sc3)C;Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c12;Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O","InChI=1S/C21H20N2O2S2/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)","","2013-05-20","2013-10-25","4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid","2013-10-30"],["7CT","~{N}-methylisoquinoline-5-sulfonamide","C10 H10 N2 O2 S","CN[S](=O)(=O)c1cccc2cnccc12;CNS(=O)(=O)c1cccc2c1ccnc2","InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3","","2016-10-05","2018-06-01","~{N}-methylisoquinoline-5-sulfonamide","2018-06-06"],["KPL","KETOPANTOATE","C6 H10 O4","O=C(O)C(=O)C(C)(C)CO;CC(C)(CO)C(=O)C(O)=O;CC(C)(CO)C(=O)C(=O)O","InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)","2-DEHYDROPANTOATE","2002-07-15","2020-06-17","4-hydroxy-3,3-dimethyl-2-oxobutanoic acid",""],["7CU","5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide","C16 H18 N6 O","c1(ncc(nc1c2cc3c(n2)cccc3)NCC(C)N)C(=O)N;C[CH](N)CNc1cnc(C(N)=O)c(n1)c2[nH]c3ccccc3c2;CC(CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N","InChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1","","2016-10-05","2017-01-06","5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide","2017-01-11"],["7CV","6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose","C8 H16 O5","C1(O)C(OC)C(C(C(O1)C)O)OC;CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1OC;CC1C(C(C(C(O1)O)OC)OC)O","InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7+,8+/m0/s1","6-deoxy-2,3-di-O-methyl-alpha-L-mannose; 6-deoxy-2,3-di-O-methyl-L-mannose; 6-deoxy-2,3-di-O-methyl-mannose","2016-10-05","2020-07-17","6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose","2017-10-18"],["KPM","2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose","C19 H30 N2 O13","CC(=O)NC1C(C(C(OC1O)CO)OC3OC2COC(C(O)=O)(C)OC2C(O)C3NC(C)=O)O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH]3CO[C](C)(O[CH]3[CH](O)[CH]2NC(C)=O)C(O)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C3C(O2)COC(O3)(C)C(=O)O)O)NC(=O)C)O","InChI=1S/C19H30N2O13/c1-6(23)20-10-12(25)14(8(4-22)31-16(10)27)33-17-11(21-7(2)24)13(26)15-9(32-17)5-30-19(3,34-15)18(28)29/h8-17,22,25-27H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,28,29)/t8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,19+/m1/s1","","2017-12-06","2018-03-16","2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose","2018-03-21"],["KPN","N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine","C16 H18 N4 O3","O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN;NCCN(CC(O)=O)C(=O)Cc1ccc(nc1)c2ccccn2;c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O","InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23)","","2010-04-20","2024-09-27","N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine",""],["7CW","[3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate","C34 H50 Cl2 N2 O5","C[CH](CCC(=O)NCCNC(=O)OCc1cc(Cl)cc(Cl)c1)[CH]2CC[CH]3[CH]4[CH](O)C[CH]5C[CH](O)CC[C]5(C)[CH]4CC[C]23C;CC(CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C","InChI=1S/C34H50Cl2N2O5/c1-20(4-7-30(41)37-12-13-38-32(42)43-19-21-14-23(35)18-24(36)15-21)26-5-6-27-31-28(9-11-34(26,27)3)33(2)10-8-25(39)16-22(33)17-29(31)40/h14-15,18,20,22,25-29,31,39-40H,4-13,16-17,19H2,1-3H3,(H,37,41)(H,38,42)/t20-,22+,25-,26-,27+,28+,29+,31+,33+,34-/m1/s1","","2016-10-06","2017-08-11","[3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate","2017-08-16"],["7CY","(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol","C11 H15 N5 O3","n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O;Nc1ncnc2n(cnc12)[CH]3C[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CO)N","InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1","Aristeromycin","2016-10-05","2021-03-01","(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol","2016-10-19"],["KPO","1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C37 H49 N9 O5","NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c4;c1ccc2cc(ccc2c1)CC3C(=O)NC(C(=O)NCCCCC(C(=O)NCC(=O)NCc4cccc(c4)CC(=O)N3)NC(=N)N)CCCCN","InChI=1S/C37H49N9O5/c38-16-5-3-12-29-34(49)41-17-6-4-13-30(46-37(39)40)35(50)43-23-33(48)42-22-26-9-7-8-24(18-26)21-32(47)44-31(36(51)45-29)20-25-14-15-27-10-1-2-11-28(27)19-25/h1-2,7-11,14-15,18-19,29-31H,3-6,12-13,16-17,20-23,38H2,(H,41,49)(H,42,48)(H,43,50)(H,44,47)(H,45,51)(H4,39,40,46)/t29-,30+,31-/m0/s1","","2022-06-01","2023-06-09","1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-06-14"],["7CZ","2-hydroxycyclohepta-2,4,6-triene-1-thione","C7 H6 O S","S=C1C=CC=CC=C1O;OC1=CC=CC=CC1=S;C1=CC=C(C(=S)C=C1)O","InChI=1S/C7H6OS/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)","","2016-10-06","2017-04-21","2-hydroxycyclohepta-2,4,6-triene-1-thione","2017-04-26"],["KPQ","1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide","C4 H2 F9 N O2 S","N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F","InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)","","2019-06-13","2020-05-29","1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide","2020-06-03"],["7D0","(1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol","C14 H16 F2 O5","OC[C]12C[CH]1[CH](Oc3cc(F)cc(F)c3)[CH](O)[CH](O)[CH]2O;c1c(cc(cc1F)F)OC2C3CC3(C(C(C2O)O)O)CO","InChI=1S/C14H16F2O5/c15-6-1-7(16)3-8(2-6)21-12-9-4-14(9,5-17)13(20)11(19)10(12)18/h1-3,9-13,17-20H,4-5H2/t9-,10-,11-,12+,13-,14+/m1/s1","","2016-10-07","2016-11-04","(1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol","2016-11-09"],["KPR","[(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate","C5 H10 N O5 P","C[CH](N)C(=O)C=CO[P](O)(O)=O;CC(C(=O)C=COP(=O)(O)O)N","InChI=1S/C5H10NO5P/c1-4(6)5(7)2-3-11-12(8,9)10/h2-4H,6H2,1H3,(H2,8,9,10)/b3-2+/t4-/m0/s1","","2016-08-11","2024-09-27","[(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate","2017-01-18"],["7D1","1,5-anhydro-2-deoxy-D-arabino-hexitol","C6 H12 O4","OC[CH]1OCC[CH](O)[CH]1O;C1COC(C(C1O)O)CO","InChI=1S/C6H12O4/c7-3-5-6(9)4(8)1-2-10-5/h4-9H,1-3H2/t4-,5-,6+/m1/s1","(2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol; 1,2-dideoxy-D-mannopyranose","2016-10-07","2020-07-17","(2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol","2017-01-11"],["KPS","pseudouridine 5'-phosphate, linear","C9 H15 N2 O9 P","O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1","1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol","2012-08-16","2024-09-27","1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol","2012-10-26"],["7D2","(1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol","C8 H14 O5","OC[C]12C[CH]1[CH](O)[CH](O)[CH](O)[CH]2O;C1C2C1(C(C(C(C2O)O)O)O)CO","InChI=1S/C8H14O5/c9-2-8-1-3(8)4(10)5(11)6(12)7(8)13/h3-7,9-13H,1-2H2/t3-,4+,5+,6-,7-,8+/m1/s1","","2016-10-07","2016-11-04","(1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol","2016-11-09"],["KPT","6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium","C19 H14 N O4","O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4OCOc4cc5CC6;C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1;c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2","InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1","Coptisine","2012-01-17","2021-03-01","6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium","2013-01-18"],["KPU","(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid","C12 H19 N2 O8 P","Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCO)C(=O)O)O","InChI=1S/C12H19N2O8P/c1-7-11(16)9(5-14-10(2-3-15)12(17)18)8(4-13-7)6-22-23(19,20)21/h4,10,14-16H,2-3,5-6H2,1H3,(H,17,18)(H2,19,20,21)/t10-/m0/s1","","2022-10-05","2023-08-11","(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid","2023-08-16"],["7D3","[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate","C10 H15 N5 O9 P2","c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(OP(O)(=O)O)(O)=O)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]3CO;c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(=O)(O)OP(=O)(O)O)CO)N","InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1","oxetanocin A diphosphate","2016-10-07","2020-06-17","[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate","2016-11-23"],["7D4","[[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H16 N5 O12 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3CO;c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N","InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1","oxetanocin A triphosphate","2016-10-07","2021-03-01","[[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2016-11-16"],["KPV","5-PHENYL-2-KETO-VALERIC ACID","C11 H12 O3","O=C(O)C(=O)CCCc1ccccc1;OC(=O)C(=O)CCCc1ccccc1;c1ccc(cc1)CCCC(=O)C(=O)O","InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)","2-OXO-5-PHENYLPENTANOIC ACID","2007-06-19","2020-06-17","2-oxo-5-phenylpentanoic acid",""],["KPW","4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide","C25 H26 N6 O2 S","Cc1cccc(n1)c2nn3CC(C)(C)Cc3c2c4ccnc(Nc5ccc(cc5)[S](N)(=O)=O)c4;Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N","InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)","I39LT379","2019-06-13","2021-03-01","4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide","2020-06-03"],["7D5","[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O6 P","c1nc(c2c(n1)n(cn2)C3C(C(COP(O)(=O)O)O3)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]3CO;c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(=O)(O)O)CO)N","InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1","oxetanocin A monophosphate","2016-10-07","2021-03-01","[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate","2016-11-16"],["KPX","Bilin 584 (single linked)","C33 H38 N4 O6","O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O;CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3C=CC(O)=O)C(=C2C)CCC(O)=O;CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O)C","InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,19-20,26,34H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1","(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid","2022-02-09","2024-09-27","(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid","2023-02-15"],["7D6","(S)-orteronel","C18 H17 N3 O2","c2c1c(ccc(C(NC)=O)c1)cc(c2)C4(CCn3c4cnc3)O;CNC(=O)c1ccc2cc(ccc2c1)[C]3(O)CCn4cncc34;CNC(=O)c1ccc2cc(ccc2c1)C3(CCn4c3cnc4)O","InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1","6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide","2016-03-16","2021-03-13","6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide","2017-03-15"],["KPY","(2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID","C8 H14 N2 O4 S","O=C(O)C(N)CSCC/N=C(/C(=O)O)C;CC(=NCCSC[CH](N)C(O)=O)C(O)=O;CC(=NCCSCC(C(=O)O)N)C(=O)O","InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1","PYRUVOYL-L-THIALYSINE","2012-02-03","2024-09-27","S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine","2013-01-18"],["7D7","[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol","C10 H13 N5 O3","O1C(C(C1CO)CO)n2c3c(nc2)c(N)ncn3;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]3CO;c1nc(c2c(n1)n(cn2)C3C(C(O3)CO)CO)N","InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1","OXETANOCIN","2016-10-07","2020-06-17","[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol","2016-11-16"],["7D8","(1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol","C8 H13 F O3","OC[C]12C[CH]1C[CH](F)[CH](O)[CH]2O;C1C2CC2(C(C(C1F)O)O)CO","InChI=1S/C8H13FO3/c9-5-1-4-2-8(4,3-10)7(12)6(5)11/h4-7,10-12H,1-3H2/t4-,5-,6+,7+,8-/m0/s1","","2016-10-08","2024-09-27","(1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol","2016-11-09"],["KQ0","1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine","C18 H19 N3 O S","COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4sccc4;COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4cccs4","InChI=1S/C18H19N3OS/c1-22-15-6-4-14(5-7-15)18(8-9-18)19-11-13-12-20-21-17(13)16-3-2-10-23-16/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21)","","2022-06-01","2023-06-16","1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine","2023-06-21"],["KQ3","N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea","C18 H21 Cl N4 O2","Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1;Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3;c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3cccnc3","InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24)","","2023-08-14","2023-11-03","N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea","2023-11-08"],["7D9","(16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid","C22 H31 N4 O12 P S","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](CC(C)(C)c(c1C)c24)[S](O)(=O)=O)C(=O)NC(=O)N3;Cc1cc2c3c(c1C)C(CC(N3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C","InChI=1S/C22H31N4O12PS/c1-9-5-11-16-15(10(9)2)22(3,4)6-14(40(35,36)37)26(16)17-19(23-21(31)24-20(17)30)25(11)7-12(27)18(29)13(28)8-38-39(32,33)34/h5,12-14,18,27-29H,6-8H2,1-4H3,(H2,32,33,34)(H,35,36,37)(H2,23,24,30,31)/t12-,13+,14+,18-/m0/s1","","2016-10-10","2017-01-06","(16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid","2017-01-11"],["7DA","7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATE","C11 H15 N4 O6 P","O=P(O)(O)OCC3OC(n2ccc1c(ncnc12)N)CC3O;Nc1ncnc2n(ccc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1cn(c2c1c(ncn2)N)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H15N4O6P/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+,9+/m0/s1","","2004-08-08","2011-06-04","7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["KQ6","Bilin 584 (doubly linked)","C33 H40 N4 O6","O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O;CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)CC)c(C)c3C=CC(O)=O)C(=C2C)CCC(O)=O;CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)CC)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1","(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid","2022-02-09","2024-09-27","(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid","2023-02-15"],["7DB","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","C32 H46 N6 O15","CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(C[CH](NC(=O)Cc3ccccc3)C(=O)NCC[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)nn2)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)n2cc(nn2)CC(C(=O)NCCC3C(C(C(C(O3)CO)O)O)O)NC(=O)Cc4ccccc4)O","InChI=1S/C32H46N6O15/c1-15(41)34-24-19(42)11-32(31(50)51,53-29(24)25(45)20(43)13-39)38-12-17(36-37-38)10-18(35-23(44)9-16-5-3-2-4-6-16)30(49)33-8-7-21-26(46)28(48)27(47)22(14-40)52-21/h2-6,12,18-22,24-29,39-40,42-43,45-48H,7-11,13-14H2,1H3,(H,33,49)(H,34,41)(H,35,44)(H,50,51)/t18-,19-,20+,21-,22+,24+,25+,26-,27-,28+,29+,32+/m0/s1","","2016-10-10","2017-05-26","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2017-05-31"],["KQ7","N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py\nridine-3-carboxamide","C30 H37 N7 O3","CN1CCC[CH]1CCNc2ccc(cn2)C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C;Cc1ccc(cc1NC(=O)c2ccc(nc2)NCCC3CCCN3C)NC(=O)c4ccnc(c4)N5CCOCC5","InChI=1S/C30H37N7O3/c1-21-5-7-24(34-29(38)22-9-11-32-28(18-22)37-14-16-40-17-15-37)19-26(21)35-30(39)23-6-8-27(33-20-23)31-12-10-25-4-3-13-36(25)2/h5-9,11,18-20,25H,3-4,10,12-17H2,1-2H3,(H,31,33)(H,34,38)(H,35,39)/t25-/m0/s1","N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa\nmide","2009-11-18","2020-06-17","N-[4-methyl-3-[[6-[2-[(1R,2S)-1-methylpyrrolidin-2-yl]ethylamino]pyridin-3-yl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide",""],["7DC","4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide","C34 H49 N11 O7","CC(C)[CH](NC(=O)c1ccc(cc1)N=Nc2ccc(CNC(=O)[CH](C)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](C)NC(=O)[CH](N)CO)cc2)C=O;CC(C)C(C=O)NC(=O)c1ccc(cc1)N=Nc2ccc(cc2)CNC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)N","InChI=1S/C34H49N11O7/c1-19(2)28(18-47)43-31(50)23-9-13-25(14-10-23)45-44-24-11-7-22(8-12-24)16-39-29(48)20(3)41-33(52)27(6-5-15-38-34(36)37)42-30(49)21(4)40-32(51)26(35)17-46/h7-14,18-21,26-28,46H,5-6,15-17,35H2,1-4H3,(H,39,48)(H,40,51)(H,41,52)(H,42,49)(H,43,50)(H4,36,37,38)/b45-44+/t20-,21-,26-,27-,28+/m0/s1","","2016-10-12","2017-06-23","4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide","2017-06-28"],["KQ8","(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","C15 H26 N4 O7 S2","C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O;CC1C(NC(=C1SC2CC(NC2)CNS(=O)(=O)N)C(=O)O)C(C(C)O)C(=O)O","InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,17-20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11+/m1/s1","","2019-06-14","2020-03-27","(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2020-04-01"],["KQ9","1-[(dimethylamino)methyl]cyclobutan-1-amine","C7 H16 N2","CN(C)CC1(N)CCC1;CN(C)CC1(CCC1)N","InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3","","2022-06-01","2024-09-27","1-[(dimethylamino)methyl]cyclobutan-1-amine","2022-12-07"],["7DD","7-deazaadenosine-5'-diphosphate","C11 H16 N4 O10 P2","Nc1ncnc2n(ccc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1cn(c2c1c(ncn2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H16N4O10P2/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(24-11)3-23-27(21,22)25-26(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-,11-/m1/s1","","2015-12-07","2016-06-10","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2016-06-15"],["KQB","trifluoromagnesate monohydrate","F3 H2 Mg O","[OH2+][Mg](F)(F)F;[OH2+][Mg](F)(F)F","InChI=1S/3FH.Mg.H2O/h3*1H;;1H2/q;;;+4;/p-3","","2019-06-17","2025-11-11","tris(fluoranyl)-oxidaniumyl-magnesium","2020-07-15"],["7DE","3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","C14 H15 N3 O4","[O-][N+](=O)c1cccc(c1)n2nc(c(c2C)C(=O)OCC)C;CCOC(=O)c1c(C)nn(c1C)c2cccc(c2)[N+]([O-])=O;CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C","InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3","","2004-11-30","2011-06-04","ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate",""],["7DF","Dihydropentalenolactone F","C15 H20 O5","C1C4C3(CC1(C)C)C2(OC2)C(=O)OCC3C(C(O)=O)C4;CC1(C)C[CH]2C[CH]([CH]3COC(=O)[C]4(CO4)[C]23C1)C(O)=O;CC1(CC2CC(C3C2(C1)C4(CO4)C(=O)OC3)C(=O)O)C","InChI=1S/C15H20O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+,14-,15-/m1/s1","(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic\nacid","2016-08-04","2020-06-17","(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid","2016-09-14"],["KQC","(2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol","C6 H11 F O5","OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1F;C(C1C(C(C(C(O1)O)O)O)F)O","InChI=1S/C6H11FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1","","2022-10-06","2023-05-26","(2~{R},3~{R},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol","2023-05-31"],["KQD","(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami\nde}","C56 H56 N6 O6","C(=O)(c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C(=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%11;O=C(N[CH]1C[CH]1c2ccccc2)[CH]3CN(C[CH]3C(=O)N[CH]4C[CH]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[CH]([CH](C7)C(=O)N[CH]8C[CH]8c9ccccc9)C(=O)N[CH]%10C[CH]%10c%11ccccc%11;c1ccc(cc1)C2CC2NC(=O)C3CN(CC3C(=O)NC4CC4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7CC(C(C7)C(=O)NC8CC8c9ccccc9)C(=O)NC1CC1c1ccccc1","InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1","Diprovocim","2019-01-03","2020-06-17","(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide}","2019-04-17"],["7DG","7-DEAZAGUANINE","C6 H6 N4 O","O=C2C1=C(N=CC1)N=C(N2)N;NC1=NC2=C(CC=N2)C(=O)N1;C1C=NC2=C1C(=O)NC(=N2)N","InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11)","","2001-05-08","2011-06-04","2-amino-3,5-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["KQE","6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine","C18 H11 F3 N4 O","FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4;c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4","InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H","","2019-06-18","2019-06-21","6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine","2019-06-26"],["7DH","(3E)-5-hydroxy-2-oxopent-3-enoic acid","C5 H6 O4","C(O)C=CC(C(=O)O)=O;OCC=CC(=O)C(O)=O;C(C=CC(=O)C(=O)O)O","InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+","","2016-10-10","2024-09-27","(3E)-5-hydroxy-2-oxopent-3-enoic acid","2018-02-21"],["7DI","PF-07321332, bound form","C23 H36 F3 N5 O4","CCNC(=O)CC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C)C=N;CCNC(=O)CCC(C=N)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F","InChI=1S/C23H36F3N5O4/c1-7-28-14(32)9-8-12(10-27)29-18(33)16-15-13(22(15,5)6)11-31(16)19(34)17(21(2,3)4)30-20(35)23(24,25)26/h10,12-13,15-17,27H,7-9,11H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/b27-10+/t12-,13-,15-,16-,17+/m0/s1","","2021-09-28","2022-02-08","(1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-5-(ethylamino)-5-oxidanylidene-pentan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2021-11-03"],["KQF","4-(furan-2-yl)benzoic acid","C11 H8 O3","O=C(O)c1ccc(cc1)c1ccco1;OC(=O)c1ccc(cc1)c2occc2;c1cc(oc1)c2ccc(cc2)C(=O)O","InChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)","","2022-02-10","2023-03-10","4-(furan-2-yl)benzoic acid","2023-03-15"],["KQI","6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide","C19 H27 N5 O4","C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O;CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])O","InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16+,17-/m1/s1","Beta-lactone antibacterial agent (open form)","2022-06-02","2024-09-27","6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide","2022-11-02"],["7DJ","N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide","C18 H18 F4 N6 O3","c1(c(c(F)c(cc1F)F)Nc2cc(c3n(n2)c(cn3)C(NCC(C)(O)CO)=O)NC)F;CNc1cc(Nc2c(F)c(F)cc(F)c2F)nn3c(cnc13)C(=O)NC[C](C)(O)CO;CC(CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O","InChI=1S/C18H18F4N6O3/c1-18(31,7-29)6-25-17(30)11-5-24-16-10(23-2)4-12(27-28(11)16)26-15-13(21)8(19)3-9(20)14(15)22/h3-5,23,29,31H,6-7H2,1-2H3,(H,25,30)(H,26,27)/t18-/m1/s1","","2016-10-10","2016-12-22","N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide","2016-12-28"],["KQK","~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","C12 H12 N6","CN(C)c1nccc(n1)c2cnn3ncccc23;CN(C)c1nccc(n1)c2cnn3c2cccn3","InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3","","2019-06-18","2019-06-21","~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","2019-06-26"],["7DK","METHYL\n((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N\nONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE","C28 H28 Cl N9 O4","[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCCCC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(NC(=O)CCCCC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]cc2n5)c1;COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCCC(c3[nH]cc2n3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C28H28ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1","methyl\n[(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azen\no)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2016-10-10","2020-06-17","methyl [(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2017-03-01"],["7DL","((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE","C29 H30 Cl2 N8 O3","C(=O)([C@H]=Cc1cc(Cl)ccc1n2nnnc2)NC4c5nc(c3ccc(NC(OC)=O)cc3CCCCCCC4)c(Cl)n5;COC(=O)Nc1ccc2c(CCCCCCC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]c(Cl)c2n5)c1;COC(=O)Nc1ccc-2c(c1)CCCCCCCC(c3[nH]c(c2n3)Cl)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1","methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate","2016-10-11","2021-03-13","methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate","2017-03-01"],["KQL","N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide","C15 H13 F3 N2 O","O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F;Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F;Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F","InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)","","2023-08-14","2023-11-03","N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide","2023-11-08"],["KQN","6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide","C13 H23 N5 O4","C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O;CC(C(C=O)NC(=O)C(C)NC(=O)CCCCCN=[N+]=[N-])O","InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1","Beta-lactone antibacterial agent (open form)","2022-06-02","2024-09-27","6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide","2022-11-02"],["7DM","4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid","C10 H7 N O4","O=C(O)c2ccc1c(C(O)=CC(=O)N1)c2;OC(=O)c1ccc2NC(=O)C=C(O)c2c1;c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O","InChI=1S/C10H7NO4/c12-8-4-9(13)11-7-2-1-5(10(14)15)3-6(7)8/h1-4H,(H,14,15)(H2,11,12,13)","","2014-02-26","2015-02-06","4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid","2015-02-11"],["KQO","(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide","C25 H28 F N5 O3","COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[CH](F)C[CH]3C(=O)Nc4ccc5[nH]ncc5n4;COc1ccc(cc1)C2(CCCCC2)C(=O)N3CC(CC3C(=O)Nc4ccc5c(n4)cn[nH]5)F","InChI=1S/C25H28FN5O3/c1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19/h5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32)/t17-,21-/m1/s1","","2022-10-06","2023-01-06","(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide","2023-01-11"],["7DN","2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid","C30 H35 N3 O3","OC(=O)c5c(CCC4C(NC(C3CCN(c1ccc2c(n1)c(ccc2)C)CC3)=O)CCC4)cccc5;Cc1cccc2ccc(nc12)N3CCC(CC3)C(=O)N[CH]4CCC[CH]4CCc5ccccc5C(O)=O;Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)NC4CCCC4CCc5ccccc5C(=O)O","InChI=1S/C30H35N3O3/c1-20-6-4-9-23-14-15-27(32-28(20)23)33-18-16-24(17-19-33)29(34)31-26-11-5-8-22(26)13-12-21-7-2-3-10-25(21)30(35)36/h2-4,6-7,9-10,14-15,22,24,26H,5,8,11-13,16-19H2,1H3,(H,31,34)(H,35,36)/t22-,26-/m0/s1","","2016-10-11","2017-02-24","2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid","2017-03-01"],["7DP","~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide","C10 H13 N O3","CC(=O)NCCc1ccc(O)c(O)c1;CC(=O)NCCc1ccc(c(c1)O)O","InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)","N-acetyldopamine","2016-06-24","2021-03-01","~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide","2017-07-05"],["KQP","1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide","C20 H23 Cl N2 O","c3c(C(C)(C)O)ccc(c1cc(cc(c1)Cl)C2(CCC2)C(=N)N)c3;CC(C)(O)c1ccc(cc1)c2cc(Cl)cc(c2)C3(CCC3)C(N)=N;CC(C)(c1ccc(cc1)c2cc(cc(c2)Cl)C3(CCC3)C(=N)N)O","InChI=1S/C20H23ClN2O/c1-19(2,24)15-6-4-13(5-7-15)14-10-16(12-17(21)11-14)20(18(22)23)8-3-9-20/h4-7,10-12,24H,3,8-9H2,1-2H3,(H3,22,23)","","2019-01-07","2019-04-12","1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide","2019-04-17"],["KQQ","3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide","C27 H32 N8 O3 S","O=C(N2c1cc(c(OC)cc1C(C)(C)CC2)Nc4nc(Nc3c(scc3)C(=O)N)c5ccnc5n4)CN(C)C;COc1cc2c(cc1Nc3nc4[nH]ccc4c(Nc5ccsc5C(N)=O)n3)N(CCC2(C)C)C(=O)CN(C)C;CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C","InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)","","2014-05-28","2014-10-03","3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide","2014-10-08"],["7DQ","6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile","C20 H23 N5 O","c3(ccc(N2CCN(C(Cc1ccc(cc1)C(C)C)=O)CC2)nn3)C#N;CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1;CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N","InChI=1S/C20H23N5O/c1-15(2)17-5-3-16(4-6-17)13-20(26)25-11-9-24(10-12-25)19-8-7-18(14-21)22-23-19/h3-8,15H,9-13H2,1-2H3","","2016-10-11","2018-08-24","6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile","2018-08-29"],["KQR","4-(thiophen-2-yl)benzoic acid","C11 H8 O2 S","O=C(O)c1ccc(cc1)c1cccs1;OC(=O)c1ccc(cc1)c2sccc2;c1cc(sc1)c2ccc(cc2)C(=O)O","InChI=1S/C11H8O2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)","","2022-02-11","2023-03-10","4-(thiophen-2-yl)benzoic acid","2023-03-15"],["7DR","6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine","C22 H22 N4 O","n3c(c(C#CCc2cc(c1ccccc1)cc(OC)c2)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccccc3;CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3","InChI=1S/C22H22N4O/c1-3-20-19(21(23)26-22(24)25-20)11-7-8-15-12-17(14-18(13-15)27-2)16-9-5-4-6-10-16/h4-6,9-10,12-14H,3,8H2,1-2H3,(H4,23,24,25,26)","","2011-06-08","2012-06-08","6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine",""],["KQS","(3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide)","C18 H18 F N3 O2","C[CH](CC(=O)NCc1ccc2NC(=O)Nc2c1)c3ccccc3F;CC(CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F","InChI=1S/C18H18FN3O2/c1-11(13-4-2-3-5-14(13)19)8-17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-7,9,11H,8,10H2,1H3,(H,20,23)(H2,21,22,24)/t11-/m0/s1","","2015-08-25","2015-09-18","(3S)-3-(2-fluorophenyl)-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide","2015-09-23"],["7DS","METHYL\n((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,\n7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE","C28 H26 Cl N9 O4","[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCC=CC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(NC(=O)CCC=CC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]cc2n5)c1;COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc2n3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1","methyl\n[(5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno\n)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2016-10-11","2020-06-17","methyl [(5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2017-03-01"],["7DT","7-deazaadenosine-5'-triphosphate","C11 H17 N4 O13 P3","Nc1ncnc2n(ccc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1cn(c2c1c(ncn2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H17N4O13P3/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(26-11)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-,11-/m1/s1","","2015-12-07","2016-06-10","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2016-06-15"],["KQT","Berberine","C28 H27 N2 O4","COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC;COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6","InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1","","2019-06-18","2020-05-29","","2020-06-03"],["KQU","4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide","C13 H21 N O3 S Se2","CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O;CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O","InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m1/s1","4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide","2022-06-06","2022-08-22","4-[(2~{R})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide","2022-06-22"],["7DU","(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide","C29 H42 N10 O6","C[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](C)NC(=O)[CH](N)CO)C(=O)NCc1ccc(cc1)N=Nc2ccc(CO)cc2;CC(C(=O)NCc1ccc(cc1)N=Nc2ccc(cc2)CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)N","InChI=1S/C29H42N10O6/c1-17(25(42)34-14-19-5-9-21(10-6-19)38-39-22-11-7-20(15-40)8-12-22)36-28(45)24(4-3-13-33-29(31)32)37-26(43)18(2)35-27(44)23(30)16-41/h5-12,17-18,23-24,40-41H,3-4,13-16,30H2,1-2H3,(H,34,42)(H,35,44)(H,36,45)(H,37,43)(H4,31,32,33)/b39-38+/t17-,18-,23-,24-/m0/s1","","2016-10-12","2017-06-23","(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide","2017-06-28"],["KQV","[(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)","C40 H44 F2 N7 O9 P","c1(C(F)(P(=O)(O)O)F)cc2c(cc1)nc(c2)C(NC4C(=O)N3C(CCC3CCN(C4)C(=O)C)C(NC(C(=O)NC(c5ccccc5)c6ccccc6)CCC(=O)N)=O)=O;CC(=O)N1CC[CH]2CC[CH](N2C(=O)[CH](C1)NC(=O)c3[nH]c4ccc(cc4c3)C(F)(F)[P](O)(O)=O)C(=O)N[CH](CCC(N)=O)C(=O)NC(c5ccccc5)c6ccccc6;CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)NC(CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6","InChI=1S/C40H44F2N7O9P/c1-23(50)48-19-18-28-13-16-33(38(54)45-30(15-17-34(43)51)36(52)47-35(24-8-4-2-5-9-24)25-10-6-3-7-11-25)49(28)39(55)32(22-48)46-37(53)31-21-26-20-27(12-14-29(26)44-31)40(41,42)59(56,57)58/h2-12,14,20-21,28,30,32-33,35,44H,13,15-19,22H2,1H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H2,56,57,58)/t28-,30+,32+,33+/m1/s1","","2019-01-07","2019-11-29","[(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)","2019-12-04"],["7DV","2-methylbenzene-1,4-diol","C7 H8 O2","Cc1cc(O)ccc1O;Cc1cc(ccc1O)O","InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3","","2016-10-12","2017-09-22","2-methylbenzene-1,4-diol","2017-09-27"],["KQW","~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","C14 H14 N6","CN(C1CC1)c2nccc(n2)c3cnn4ncccc34;CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4","InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3","","2019-06-18","2019-06-21","~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","2019-06-26"],["7DW","11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide","C41 H72 F N O9","Fc1ccc(cc1)CCCCCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCCc2ccc(F)cc2;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O","InChI=1S/C41H72FNO9/c1-2-3-4-5-6-7-8-9-10-14-17-20-23-34(45)37(47)33(30-51-41-40(50)39(49)38(48)35(29-44)52-41)43-36(46)24-21-18-15-12-11-13-16-19-22-31-25-27-32(42)28-26-31/h25-28,33-35,37-41,44-45,47-50H,2-24,29-30H2,1H3,(H,43,46)/t33-,34+,35+,37-,38-,39-,40+,41-/m0/s1","","2015-02-13","2015-05-22","11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide","2015-05-27"],["7DX","(2~{S})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid","C28 H27 N3 O3 S","OC(=O)[CH](CC(=O)Nc1ccc2ccc(cc2n1)c3scc(n3)c4ccccc4)C5CCCCC5;c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)CC(C5CCCCC5)C(=O)O","InChI=1S/C28H27N3O3S/c32-26(16-22(28(33)34)18-7-3-1-4-8-18)31-25-14-13-20-11-12-21(15-23(20)29-25)27-30-24(17-35-27)19-9-5-2-6-10-19/h2,5-6,9-15,17-18,22H,1,3-4,7-8,16H2,(H,33,34)(H,29,31,32)/t22-/m0/s1","","2016-10-12","2017-01-20","(2~{S})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid","2017-01-25"],["KQX","2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide","C15 H16 N2 O","O=C(Nc1cnccc1C)Cc1ccc(C)cc1;Cc1ccc(CC(=O)Nc2cnccc2C)cc1;Cc1ccc(cc1)CC(=O)Nc2cnccc2C","InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18)","","2023-08-14","2023-11-03","2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["KQY","6-aminohexanamide","C6 H14 N2 O","O=C(CCCCCN)N;NCCCCCC(N)=O;C(CCC(=O)N)CCN","InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)","","2019-01-08","2019-03-15","6-aminohexanamide","2019-03-20"],["7DY","N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide","C27 H25 Cl F3 N3 O2","c1cc(C(F)(F)F)cnc1OC(C)(C(NC(C)C(c2cc(C#N)ccc2)Cc3ccc(cc3)Cl)=O)C;C[CH](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[CH](Cc2ccc(Cl)cc2)c3cccc(c3)C#N;CC(C(Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F","InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1","","2016-10-12","2016-11-18","N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide","2016-11-23"],["KQZ","~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","C13 H13 N5","CN(C)c1nccc(n1)c2c[nH]c3ncccc23;CN(C)c1nccc(n1)c2c[nH]c3c2cccn3","InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)","","2019-06-18","2019-06-21","~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","2019-06-26"],["7DZ","(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one","C19 H23 F2 N5 O2","CN3c1c(nc(nc1)Nc2cc(c(c(c2)F)O)F)N(CCC(C)C)C(C3=O)C;CC(C)CCN1[CH](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12;CC1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C","InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m0/s1","BI-D1870","2016-10-13","2020-06-17","(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one","2016-11-02"],["KR","KRYPTON","Kr","[Kr];[Kr];[Kr]","InChI=1S/Kr","","1999-07-08","2011-06-04","krypton",""],["7E0","trichothecene","C15 H22 O2","CC1=CC2OC3CCC(C2(CC1)C)(C34CO4)C;CC1=C[CH]2O[CH]3CC[C](C)([C]2(C)CC1)[C]34CO4;CC1=CC2C(CC1)(C3(CCC(C34CO4)O2)C)C","InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1","(11beta)-12,13-epoxytrichothec-9-ene","2016-10-13","2020-06-17","(11beta)-12,13-epoxytrichothec-9-ene","2016-11-02"],["KR0","3-decanoyloxypropyl decanoate","C23 H44 O4","CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC","InChI=1S/C23H44O4/c1-3-5-7-9-11-13-15-18-22(24)26-20-17-21-27-23(25)19-16-14-12-10-8-6-4-2/h3-21H2,1-2H3","","2015-12-09","2024-09-27","3-decanoyloxypropyl decanoate","2016-12-21"],["7E1","6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid","C30 H27 Cl O7 S","c1c(ccc(c1)O)C4=C(c2ccc([C@H]=CCCCC(O)=O)cc2)C5C(S(Oc3cc(Cl)ccc3)(=O)=O)CC4O5;OC(=O)CCCC=Cc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4cccc(Cl)c4)c5ccc(O)cc5;c1cc(cc(c1)Cl)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O","InChI=1S/C30H27ClO7S/c31-22-6-4-7-24(17-22)38-39(35,36)26-18-25-28(20-13-15-23(32)16-14-20)29(30(26)37-25)21-11-9-19(10-12-21)5-2-1-3-8-27(33)34/h2,4-7,9-17,25-26,30,32H,1,3,8,18H2,(H,33,34)/t25-,26+,30+/m0/s1","(E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid","2016-10-13","2021-03-13","6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid","2017-01-18"],["KR1","3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile","C22 H20 F N5 O3","CC(C)C1=C(N(Cc2cc(N)nc(F)c2)C(=O)NC1=O)C(=O)c3cc(C)cc(c3)C#N;Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N","InChI=1S/C22H20FN5O3/c1-11(2)18-19(20(29)15-5-12(3)4-13(6-15)9-24)28(22(31)27-21(18)30)10-14-7-16(23)26-17(25)8-14/h4-8,11H,10H2,1-3H3,(H2,25,26)(H,27,30,31)","","2010-01-13","2011-06-04","3-[3-[(2-azanyl-6-fluoro-pyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile",""],["7E3","5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid","C29 H27 Cl O8 S","C=1(C3CC(C(C=1c2ccc(cc2)OCCCCC(O)=O)O3)S(Oc4cccc(c4)Cl)(=O)=O)c5ccc(cc5)O;OC(=O)CCCCOc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4cccc(Cl)c4)c5ccc(O)cc5;c1cc(cc(c1)Cl)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O","InChI=1S/C29H27ClO8S/c30-20-4-3-5-23(16-20)38-39(34,35)25-17-24-27(18-7-11-21(31)12-8-18)28(29(25)37-24)19-9-13-22(14-10-19)36-15-2-1-6-26(32)33/h3-5,7-14,16,24-25,29,31H,1-2,6,15,17H2,(H,32,33)/t24-,25+,29+/m0/s1","","2016-10-28","2017-01-13","5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid","2017-01-18"],["KR2","(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE","C22 H24 F3 N3 O2","O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F;N[CH](CC(=O)N1CCCCCN1C(=O)c2ccccc2)Cc3cc(F)c(F)cc3F;c1ccc(cc1)C(=O)N2CCCCCN2C(=O)CC(Cc3cc(c(cc3F)F)F)N","InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1","(R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE","2007-01-24","2020-06-17","(2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine",""],["7E4","11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid","C33 H34 N4 O2","OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5;c1ccc2c(c1)c(nc(n2)c3cccnc3)NC4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O","InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m0/s1","","2016-10-13","2024-09-27","11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid","2017-10-25"],["7E5","(2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid","C12 H13 N O5","OC(=O)[CH]1C[CH](CN1)Oc2ccccc2C(O)=O;c1ccc(c(c1)C(=O)O)OC2CC(NC2)C(=O)O","InChI=1S/C12H13NO5/c14-11(15)8-3-1-2-4-10(8)18-7-5-9(12(16)17)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)(H,16,17)/t7-,9+/m1/s1","","2016-10-14","2017-01-06","(2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid","2017-01-11"],["KR3","N~6~-(ethoxycarbonyl)-L-lysine","C9 H18 N2 O4","O=C(NCCCCC(N)C(=O)O)OCC;CCOC(=O)NCCCC[CH](N)C(O)=O;CCOC(=O)NCCCCC(C(=O)O)N","InChI=1S/C9H18N2O4/c1-2-15-9(14)11-6-4-3-5-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)/t7-/m0/s1","","2022-02-14","2024-09-27","N~6~-(ethoxycarbonyl)-L-lysine","2023-08-16"],["7E7","3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine","C16 H14 N6 O","Cn1ncc(c1Oc2ccccc2)c3ccc4nnc(C)n4n3;Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C","InChI=1S/C16H14N6O/c1-11-18-19-15-9-8-14(20-22(11)15)13-10-17-21(2)16(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3","","2016-10-14","2017-09-22","3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine","2017-09-27"],["KR4","2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol","C19 H19 Cl N4 O","c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(cc3)CCO;CCc1nc(Nc2ccc(CCO)cc2)nc(n1)c3cccc(Cl)c3;CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl","InChI=1S/C19H19ClN4O/c1-2-17-22-18(14-4-3-5-15(20)12-14)24-19(23-17)21-16-8-6-13(7-9-16)10-11-25/h3-9,12,25H,2,10-11H2,1H3,(H,21,22,23,24)","","2019-01-08","2019-05-03","2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol","2019-05-08"],["KR5","4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide","C14 H18 N4 O3 S","O=C(n1nc(cc1C)C)CCNc2ccc(cc2)S(=O)(=O)N;Cc1cc(C)n(n1)C(=O)CCNc2ccc(cc2)[S](N)(=O)=O;Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21)","","2014-04-25","2014-11-21","4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide","2014-11-26"],["7E8","(2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE","C17 H32 O4","O=C(OCC(O)CO)CCCCCC=C/CCCCCC;CCCCCCC=CCCCCCC(=O)OC[CH](O)CO;CCCCCCC=CCCCCCC(=O)OCC(CO)O","InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1","7.7 MAG","2011-03-31","2020-06-17","(2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate",""],["KR6","4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide","C13 H21 N O3 S Se2","CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O;CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O","InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m0/s1","","2022-06-06","2022-08-22","4-[(2~{S})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide","2022-06-22"],["7E9","1,3-DIHYDROXYPROPAN-2-YL (Z)-TETRADEC-7-ENOATE","C17 H32 O4","O=C(OC(CO)CO)CCCCCC=C/CCCCCC;CCCCCCC=CCCCCCC(=O)OC(CO)CO;CCCCCCC=CCCCCCC(=O)OC(CO)CO","InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-","","2011-03-31","2012-05-18","2-hydroxy-1-(hydroxymethyl)ethyl (7Z)-tetradec-7-enoate",""],["KR7","(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid","C21 H15 Cl F3 N O2","C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc(cc3)CC(=O)O;OC(=O)Cc1ccc(Cc2cc(nc(c2)C(F)(F)F)c3cccc(Cl)c3)cc1;c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O","InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)","","2019-01-08","2019-05-03","(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid","2019-05-08"],["7EA","6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine","C14 H14 N4 O2","COc1ccc(cc1OC)c2ccc3nnc(C)n3n2;Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC","InChI=1S/C14H14N4O2/c1-9-15-16-14-7-5-11(17-18(9)14)10-4-6-12(19-2)13(8-10)20-3/h4-8H,1-3H3","","2016-10-14","2017-09-22","6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine","2017-09-27"],["7EB","4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C28 H28 Br N O6 S","c1(O)ccc(cc1)C=2C4CC(C(C=2c3ccc(cc3)OCCN(C)C)O4)S(Oc5ccc(Br)cc5)(=O)=O;CN(C)CCOc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5;CN(C)CCOc1ccc(cc1)C2=C(C3CC(C2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O","InChI=1S/C28H28BrNO6S/c1-30(2)15-16-34-22-11-5-19(6-12-22)27-26(18-3-9-21(31)10-4-18)24-17-25(28(27)35-24)37(32,33)36-23-13-7-20(29)8-14-23/h3-14,24-25,28,31H,15-17H2,1-2H3/t24-,25+,28+/m0/s1","","2016-10-14","2017-02-10","4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2017-02-15"],["KR8","~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","C17 H14 N6","CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34;CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4","InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3","","2019-06-18","2019-06-21","~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","2019-06-26"],["7EC","4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C31 H32 Br N O6 S","c1(O)ccc(cc1)C4=C(c3ccc(OCCN2CCCCC2)cc3)C5C(CC4O5)S(=O)(Oc6ccc(cc6)Br)=O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(OCCN6CCCCC6)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O","InChI=1S/C31H32BrNO6S/c32-23-8-14-26(15-9-23)39-40(35,36)28-20-27-29(21-4-10-24(34)11-5-21)30(31(28)38-27)22-6-12-25(13-7-22)37-19-18-33-16-2-1-3-17-33/h4-15,27-28,31,34H,1-3,16-20H2/t27-,28+,31+/m0/s1","","2016-10-14","2017-02-10","4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2017-02-15"],["KR9","~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide","C29 H24 F3 N5 O4","CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F)(F)F)ccc5OC)c4n3;CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c3ccc4cncc(c4n3)c5cc(ccc5OC)OC(F)(F)F","InChI=1S/C29H24F3N5O4/c1-33-27(38)24(11-17-14-35-22-6-4-3-5-19(17)22)37-28(39)23-9-7-16-13-34-15-21(26(16)36-23)20-12-18(41-29(30,31)32)8-10-25(20)40-2/h3-10,12-15,24,35H,11H2,1-2H3,(H,33,38)(H,37,39)/t24-/m0/s1","","2022-10-13","2023-02-03","~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide","2023-02-08"],["7ED","8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate","C42 H50 O8","CCC(C(c1ccc(O)cc1)C(OCCCCCCCCOC(=O)C(C(CC)c2ccc(cc2)O)c3ccc(cc3)O)=O)c4ccc(O)cc4;CC[CH]([CH](C(=O)OCCCCCCCCOC(=O)C(C(CC)c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3)c4ccc(O)cc4;CCC(c1ccc(cc1)O)C(c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O","InChI=1S/C42H50O8/c1-3-37(29-11-19-33(43)20-12-29)39(31-15-23-35(45)24-16-31)41(47)49-27-9-7-5-6-8-10-28-50-42(48)40(32-17-25-36(46)26-18-32)38(4-2)30-13-21-34(44)22-14-30/h11-26,37-40,43-46H,3-10,27-28H2,1-2H3/t37-,38?,39+,40?/m1/s1","octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate)","2016-10-14","2021-03-13","8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate","2017-01-18"],["KRA","KURASOIN A","C16 H14 O3","O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2;Oc1ccc(CC(=O)C(=O)Cc2ccccc2)cc1;c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O","InChI=1S/C16H14O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2","1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE","1999-07-08","2021-03-13","1-(4-hydroxyphenyl)-4-phenylbutane-2,3-dione",""],["7EE","(14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol","C26 H29 N O2","c4c(cc3CCC5C1C(C)(C(CC1)(C#Cc2ccc(N)cc2)O)CCC5c3c4)O;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C#Cc5ccc(N)cc5;CC12CCC3c4ccc(cc4CCC3C1CCC2(C#Cc5ccc(cc5)N)O)O","InChI=1S/C26H29NO2/c1-25-13-11-22-21-9-7-20(28)16-18(21)4-8-23(22)24(25)12-15-26(25,29)14-10-17-2-5-19(27)6-3-17/h2-3,5-7,9,16,22-24,28-29H,4,8,11-13,15,27H2,1H3/t22-,23-,24+,25+,26+/m1/s1","","2016-10-14","2017-01-13","(14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol","2017-01-18"],["KRB","KURASOIN B","C18 H15 N O2","O=C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3;O=C(Cc1ccccc1)C(=O)Cc2c[nH]c3ccccc23;c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3","InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2","1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE","1999-07-08","2021-03-13","1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione",""],["KRC","(9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide","C30 H27 N O7","O=C(NCc2c1ccccc1ccc2CC)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C;CCc1ccc2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C(C)=O)C(=O)[C]45C)O;CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=O)C)O)O)OC","InChI=1S/C30H27NO7/c1-5-16-10-11-17-8-6-7-9-18(17)19(16)14-31-29(36)25-22(37-4)12-21(34)26-27(25)38-23-13-20(33)24(15(2)32)28(35)30(23,26)3/h6-13,33-34H,5,14H2,1-4H3,(H,31,36)/t30-/m1/s1","","2011-07-13","2011-08-19","(9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide",""],["7EF","4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","C19 H17 F3 N2 O2","Oc1c(ccc(c1)O)c2n(nc3c2cccc3C(F)(F)F)C[C@H]=C(C)C;CC(C)=CCn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O;CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C","InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18(13-7-6-12(25)10-16(13)26)14-4-3-5-15(17(14)23-24)19(20,21)22/h3-8,10,25-26H,9H2,1-2H3","","2016-10-14","2017-01-13","4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","2017-01-18"],["KRD","2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide","C19 H18 Cl N5 O","Clc1cccc(c1)c2nc(nc(n2)Nc3ccc(cc3)CC(N)=O)CC;CCc1nc(Nc2ccc(CC(N)=O)cc2)nc(n1)c3cccc(Cl)c3;CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl","InChI=1S/C19H18ClN5O/c1-2-17-23-18(13-4-3-5-14(20)11-13)25-19(24-17)22-15-8-6-12(7-9-15)10-16(21)26/h3-9,11H,2,10H2,1H3,(H2,21,26)(H,22,23,24,25)","","2019-01-09","2019-05-03","2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide","2019-05-08"],["7EG","2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol","C19 H15 N O4","Oc1ccc(cc1)c2c(c(O)ccc2c3ccc(cc3)O)C=NO;ON=Cc1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3;c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)C=NO)O)O","InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+","","2016-10-14","2017-01-13","2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol","2017-01-18"],["KRE","~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide","C23 H27 N5 O3 S","COc1cc(N[S](C)(=O)=O)cc(c1)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4;COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4","InChI=1S/C23H27N5O3S/c1-31-21-12-17(11-19(14-21)27-32(2,29)30)22-13-18(15-26-23(22)24)16-3-5-20(6-4-16)28-9-7-25-8-10-28/h3-6,11-15,25,27H,7-10H2,1-2H3,(H2,24,26)","","2019-06-18","2019-10-11","~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide","2019-10-16"],["7EH","3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine","C13 H12 N4","Nc1nc2c(n1C)ncc(c2)c3ccccc3;Cn1c(N)nc2cc(cnc12)c3ccccc3;Cn1c2c(cc(cn2)c3ccccc3)nc1N","InChI=1S/C13H12N4/c1-17-12-11(16-13(17)14)7-10(8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)","","2016-10-14","2017-01-13","3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine","2017-01-18"],["KRF","N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide","C22 H29 F N4 O2","Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC(CCC1)N1CCN(CC1)C(C)=O;CC(=O)N1CCN(CC1)[CH]2CCC[CH](C2)NC(=O)c3[nH]c4c(C)ccc(F)c4c3;Cc1ccc(c2c1[nH]c(c2)C(=O)NC3CCCC(C3)N4CCN(CC4)C(=O)C)F","InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17-/m1/s1","","2022-02-14","2022-08-26","N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide","2022-08-31"],["7EI","(1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C34 H37 F3 N2 O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1;COc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(OCCN6CCCCC6)cc5;COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O","InChI=1S/C34H37F3N2O6S/c1-43-27-15-9-25(10-16-27)39(22-34(35,36)37)46(41,42)30-21-29-31(23-5-11-26(40)12-6-23)32(33(30)45-29)24-7-13-28(14-8-24)44-20-19-38-17-3-2-4-18-38/h5-16,29-30,33,40H,2-4,17-22H2,1H3/t29-,30+,33+/m1/s1","","2021-08-11","2021-09-17","(1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-22"],["7EJ","1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide","C30 H44 N4 O4","C(CCn3c(C(N(CC(C)C)C2CNCC(C(=O)N1CCOCC1)C2)=O)ccc3c4ccccc4)COC;COCCCCn1c(ccc1c2ccccc2)C(=O)N(CC(C)C)[CH]3CNC[CH](C3)C(=O)N4CCOCC4;CC(C)CN(C1CC(CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4","InChI=1S/C30H44N4O4/c1-23(2)22-34(26-19-25(20-31-21-26)29(35)32-14-17-38-18-15-32)30(36)28-12-11-27(24-9-5-4-6-10-24)33(28)13-7-8-16-37-3/h4-6,9-12,23,25-26,31H,7-8,13-22H2,1-3H3/t25-,26+/m1/s1","","2016-10-14","2017-10-13","1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide","2017-10-18"],["KRG","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid","C14 H15 N O4","O=C(O)c1cc(cc(OCC)c1)c2c(onc2C)C;CCOc1cc(cc(c1)c2c(C)onc2C)C(O)=O;CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C","InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17)","","2011-07-13","2011-08-05","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid",""],["7EK","5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide","C28 H42 N6 O4","C(COC)CCc3c(C(N(CC(C)C)C2CNCC(C(N1CCOCC1)=O)C2)=O)nnn3c4ccccc4;COCCCCc1n(nnc1C(=O)N(CC(C)C)[CH]2CNC[CH](C2)C(=O)N3CCOCC3)c4ccccc4;CC(C)CN(C1CC(CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC","InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1","","2016-10-14","2017-10-13","5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide","2017-10-18"],["KRH","5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","C25 H26 N6 O2","O=C3c2c(c1cncn1C)n(nc2N(C(=O)N3C)CC(C)C)Cc5c4ccccc4ccc5;CC(C)CN1C(=O)N(C)C(=O)c2c1nn(Cc3cccc4ccccc34)c2c5cncn5C;CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C","InChI=1S/C25H26N6O2/c1-16(2)13-30-23-21(24(32)29(4)25(30)33)22(20-12-26-15-28(20)3)31(27-23)14-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,15-16H,13-14H2,1-4H3","","2012-07-10","2014-09-05","5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione",""],["KRI","(S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDROXY-4-OXO-PENTYL]MERCAPTO-BUTYRIC ACID","C9 H17 N O6 S","O=C(C(O)C(O)CSCCC(N)C(=O)O)CO;N[CH](CCSC[CH](O)[CH](O)C(=O)CO)C(O)=O;C(CSCC(C(C(=O)CO)O)O)C(C(=O)O)N","InChI=1S/C9H17NO6S/c10-5(9(15)16)1-2-17-4-7(13)8(14)6(12)3-11/h5,7-8,11,13-14H,1-4,10H2,(H,15,16)/t5-,7+,8-/m0/s1","","2005-01-03","2011-06-04","(2S)-2-amino-4-{[(2S,3R)-2,3,5-trihydroxy-4-oxopentyl]sulfanyl}butanoic acid (non-preferred name)",""],["7EL","2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol","C13 H10 Cl N O3","Oc2ccc(c1c(c(O)c([C@H]=NO)cc1)Cl)cc2;ON=Cc1ccc(c2ccc(O)cc2)c(Cl)c1O;c1cc(ccc1c2ccc(c(c2Cl)O)C=NO)O","InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-7,16-18H/b15-7+","","2016-10-14","2017-01-13","2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol","2017-01-18"],["7EM","4,4',4''-(thiene-2,3,5-triyl)triphenol","C22 H16 O3 S","Oc4ccc(c1sc(c(c1)c2ccc(O)cc2)c3ccc(cc3)O)cc4;Oc1ccc(cc1)c2sc(c3ccc(O)cc3)c(c2)c4ccc(O)cc4;c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O","InChI=1S/C22H16O3S/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)26-22(20)16-5-11-19(25)12-6-16/h1-13,23-25H","","2016-10-14","2017-01-13","4,4',4''-(thiene-2,3,5-triyl)triphenol","2017-01-18"],["KRJ","4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide","C22 H25 N5 O","O=C(Nc1ccc(cc1C2=CCCCC2)C3CCNCC3)c4[nH]cc(n4)C#N;c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N","InChI=1S/C22H25N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28)","","2009-11-25","2011-06-04","4-cyano-N-(2-cyclohexen-1-yl-4-piperidin-4-yl-phenyl)-1H-imidazole-2-carboxamide",""],["7EN","(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one","C16 H10 Cl2 O3 S","Oc1ccc(c(c1)Cl)C=2S(C=CC=2c3c(Cl)cc(cc3)O)=O;Oc1ccc(c(Cl)c1)C2=C(c3ccc(O)cc3Cl)[S](=O)C=C2;c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O","InChI=1S/C16H10Cl2O3S/c17-14-7-9(19)1-3-11(14)12-5-6-22(21)16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H","","2016-10-15","2017-01-13","(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one","2017-01-18"],["KRK","3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine","C14 H13 F N6","F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34;c1cc2c(cnn2nc1)c3ccnc(n3)N4CCC(C4)F","InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1","","2019-06-19","2019-06-21","3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine","2019-06-26"],["KRL","5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide","C22 H27 N5 O2","CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)C#N)c(c2)N4CCCCC4;CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N","InChI=1S/C22H27N5O2/c1-25-11-13-26(14-12-25)17-5-7-19(20(15-17)27-9-3-2-4-10-27)24-22(28)21-8-6-18(16-23)29-21/h5-8,15H,2-4,9-14H2,1H3,(H,24,28)","","2009-11-25","2011-06-04","5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-yl-phenyl]furan-2-carboxamide",""],["7EO","2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one","C16 H10 Cl2 O3 S","Oc1cc(Cl)c(cc1)C2=CC=C(S2=O)c3c(Cl)cc(O)cc3;Oc1ccc(c(Cl)c1)C2=CC=C(c3ccc(O)cc3Cl)[S]2=O;c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O","InChI=1S/C16H10Cl2O3S/c17-13-7-9(19)1-3-11(13)15-5-6-16(22(15)21)12-4-2-10(20)8-14(12)18/h1-8,19-20H","","2016-10-15","2017-01-13","2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one","2017-01-18"],["KRM","4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE","C19 H19 N3 O2","n3nc(c2ccc(Oc1ccccc1)cc2)cc3N4CCOCC4;C1CN(CCO1)c2cc([nH]n2)c3ccc(Oc4ccccc4)cc3;c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4","InChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)","","2010-10-05","2011-06-24","4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine",""],["7EP","(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C17 H22 N2 O6 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC;COc1cccc(OC)c1C(=O)N[CH](C=O)[CH]2N[CH](C(O)=O)C(C)(C)S2;CC1(C(NC(S1)C(C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C","InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1","methicillin, bound form","2010-06-28","2024-09-27","(2R,4S)-2-{(1R)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["KRN","(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid","C10 H12 O4","C(C(O)=O)CC(c1c(cccc1)O)O;O[CH](CCC(O)=O)c1ccccc1O;c1ccc(c(c1)C(CCC(=O)O)O)O","InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)/t9-/m1/s1","","2017-05-29","2024-09-27","(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid","2022-12-28"],["7EQ","2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one","C16 H10 F2 O3 S","Oc1ccc(c(c1)F)C=2S(C(=CC=2)c3c(F)cc(O)cc3)=O;Oc1ccc(c(F)c1)C2=CC=C(c3ccc(O)cc3F)[S]2=O;c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O","InChI=1S/C16H10F2O3S/c17-13-7-9(19)1-3-11(13)15-5-6-16(22(15)21)12-4-2-10(20)8-14(12)18/h1-8,19-20H","","2016-10-15","2017-01-13","2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one","2017-01-18"],["KRO","5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H13 F N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(F)c(c2)C;Cc1cc(CCC2=C(NC(=O)NC2=O)C(O)=O)ccc1F;Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H13FN2O4/c1-7-6-8(3-5-10(7)15)2-4-9-11(13(19)20)16-14(21)17-12(9)18/h3,5-6H,2,4H2,1H3,(H,19,20)(H2,16,17,18,21)","","2012-11-29","2013-11-29","5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-12-04"],["7ER","3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione","C16 H10 F2 O4 S","Fc1cc(O)ccc1C2=CS(=O)(=O)C=C2c3c(cc(O)cc3)F;Oc1ccc(c(F)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3F;c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O","InChI=1S/C16H10F2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H","","2016-10-15","2017-01-13","3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione","2017-01-18"],["KRP","3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile","C19 H21 N3 O3","CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C;CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C","InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)","","2010-01-15","2011-06-04","3-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile",""],["7ES","4,4'-(thiene-2,3-diyl)bis(3-fluorophenol)","C16 H10 F2 O2 S","Oc1cc(F)c(cc1)c3c(c2ccc(cc2F)O)ccs3;Oc1ccc(c(F)c1)c2sccc2c3ccc(O)cc3F;c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O","InChI=1S/C16H10F2O2S/c17-14-7-9(19)1-3-11(14)12-5-6-21-16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H","","2016-10-15","2017-01-13","4,4'-(thiene-2,3-diyl)bis(3-fluorophenol)","2017-01-18"],["KRQ","~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","C11 H10 N6","CNc1nccc(n1)c2cnn3ncccc23;CNc1nccc(n1)c2cnn3c2cccn3","InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16)","","2019-06-19","2019-06-21","~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","2019-06-26"],["7ET","3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C31 H32 F N O6 S","c1(O)ccc(cc1)C4=C(c3ccc(OCCN2CCCCC2)cc3)C5OC4CC5S(=O)(Oc6cc(ccc6)F)=O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc(F)c4)c5ccc(OCCN6CCCCC6)cc5;c1cc(cc(c1)F)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O","InChI=1S/C31H32FNO6S/c32-23-5-4-6-26(19-23)39-40(35,36)28-20-27-29(21-7-11-24(34)12-8-21)30(31(28)38-27)22-9-13-25(14-10-22)37-18-17-33-15-2-1-3-16-33/h4-14,19,27-28,31,34H,1-3,15-18,20H2/t27-,28+,31+/m0/s1","","2016-10-14","2017-01-13","3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2017-01-18"],["7EV","5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid","C29 H27 Br O8 S","C=2(c1ccc(OCCCCC(=O)O)cc1)C4CC(C(C=2c3ccc(cc3)O)O4)S(Oc5ccc(Br)cc5)(=O)=O;OC(=O)CCCCOc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3CC(C2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O","InChI=1S/C29H27BrO8S/c30-20-8-14-23(15-9-20)38-39(34,35)25-17-24-27(28(29(25)37-24)19-4-10-21(31)11-5-19)18-6-12-22(13-7-18)36-16-2-1-3-26(32)33/h4-15,24-25,29,31H,1-3,16-17H2,(H,32,33)/t24-,25+,29+/m0/s1","","2016-10-17","2017-01-13","5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid","2017-01-18"],["KRS","cladosporin","C16 H20 O5","O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23;C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1;CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1","(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","2014-02-08","2020-06-17","(3R)-6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one","2014-07-16"],["7EX","(1R,6S)-7-oxabicyclo[4.1.0]heptane","C6 H10 O","C12CCCCC1O2;C1CC[CH]2O[CH]2C1;C1CCC2C(C1)O2","InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+","","2016-10-17","2017-10-06","(1R,6S)-7-oxabicyclo[4.1.0]heptane","2017-10-11"],["KRT","(~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid","C9 H9 B O4","OB(O)c1cccc(C=CC(O)=O)c1;B(c1cccc(c1)C=CC(=O)O)(O)O","InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+","","2019-06-19","2024-09-27","(~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid","2019-10-09"],["KRU","1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone","C19 H21 N2 O","O=C([CH]1C[CH](C[NH2+]1)c2ccccc2)N3Cc4ccccc4C3;c1ccc(cc1)C2CC([NH2+]C2)C(=O)N3Cc4ccccc4C3","InChI=1S/C19H20N2O/c22-19(21-12-15-8-4-5-9-16(15)13-21)18-10-17(11-20-18)14-6-2-1-3-7-14/h1-9,17-18,20H,10-13H2/p+1/t17-,18-/m1/s1","","2022-06-07","2022-09-16","1,3-dihydroisoindol-2-yl-[(2~{R},4~{S})-4-phenylpyrrolidin-1-ium-2-yl]methanone","2022-09-21"],["7EY","3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid","C16 H14 N2 O2 S2","Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23;Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O","InChI=1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)","","2016-10-18","2017-01-13","3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid","2017-01-18"],["KRV","3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile","C18 H19 N3 O3","CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C;CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C","InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)","","2010-01-15","2011-06-04","3-(3-ethyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile",""],["7EZ","(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid","C22 H34 O4","CC[C@H]=[C@H]CC(O)C(O)C[C@H]=CC/C=CC/C=CC/C=CCCC(=O)O;CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCC(O)=O;CCC=CCC(C(CC=CCC=CCC=CCC=CCCC(=O)O)O)O","InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-/t20-,21-/m1/s1","","2016-10-17","2024-09-27","(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid","2017-10-18"],["KRW","2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL","C19 H16 N8 O","OCCn5ncc(c1nc2c(nc1)nnn2Cc4cc3cccnc3cc4)c5;OCCn1cc(cn1)c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2;c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3","InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2","","2011-08-16","2014-09-05","2-{4-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1H-pyrazol-1-yl}ethanol",""],["7F1","(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide","C36 H46 N6 O6 S","CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O;CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C=CS(=O)(=O)C)NC(=O)C(Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5","InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1","","2015-11-04","2024-09-27","(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide","2016-03-02"],["7F2","(2R)-octane-1,2-diol","C8 H18 O2","CCCCCCC(CO)O;CCCCCC[CH](O)CO;CCCCCCC(CO)O","InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1","","2016-10-17","2024-09-27","(2R)-octane-1,2-diol","2017-10-11"],["KRX","6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide","C20 H22 F3 N3 O2","FC(F)(F)CN3CCC(NC(=O)c1ccc(nc1)c2cccc(OC)c2)CC3;COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F;COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F","InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27)","","2015-02-18","2015-05-29","6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide","2015-06-03"],["7F3","(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine","C24 H14 F5 N5","FC(F)(F)c1nccc(c1)C3(N=C(c2c(F)cccc23)N)c5ccc(F)c(c4cncnc4)c5;NC1=N[C](c2ccnc(c2)C(F)(F)F)(c3ccc(F)c(c3)c4cncnc4)c5cccc(F)c15;c1cc2c(c(c1)F)C(=NC2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N","InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1","","2012-06-27","2014-09-05","(1S)-4-fluoro-1-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine","2012-10-12"],["KRY","4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide","C15 H11 F2 N3 O3 S","Fc1cc(F)ccc1N2C(N(C=C2)c3ccc(S(=O)(=O)N)cc3)=O;N[S](=O)(=O)c1ccc(cc1)N2C=CN(C2=O)c3ccc(F)cc3F;c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N","InChI=1S/C15H11F2N3O3S/c16-10-1-6-14(13(17)9-10)20-8-7-19(15(20)21)11-2-4-12(5-3-11)24(18,22)23/h1-9H,(H2,18,22,23)","","2019-01-10","2020-01-10","4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide","2020-01-15"],["7F4","(3~{R})-3-azanylazepan-2-one","C6 H12 N2 O","N[CH]1CCCCNC1=O;C1CCNC(=O)C(C1)N","InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1","","2016-10-18","2017-04-14","(3~{R})-3-azanylazepan-2-one","2017-04-19"],["KRZ","(2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid","C20 H25 I N4 O9","OC(=O)CC[CH](NC(=O)NCC[CH](NC(=O)CCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O;c1cc(ccc1C(=O)NCCC(=O)NC(CCNC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)I","InChI=1S/C20H25IN4O9/c21-12-3-1-11(2-4-12)17(29)22-10-8-15(26)24-14(19(32)33)7-9-23-20(34)25-13(18(30)31)5-6-16(27)28/h1-4,13-14H,5-10H2,(H,22,29)(H,24,26)(H,27,28)(H,30,31)(H,32,33)(H2,23,25,34)/t13-,14-/m0/s1","","2019-06-19","2020-05-08","(2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid","2020-05-13"],["KS0","1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one","C14 H19 F N2 O","CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1;CCC(=O)N1CCN(CC1)Cc2ccc(F)cc2;CCC(=O)N1CCN(CC1)Cc2ccc(cc2)F","InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3","","2023-08-14","2024-09-27","1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one","2023-11-08"],["7F5","3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine","C19 H22 F N5","Fc1cccc(c1)CCCNCCc2nc(ncc2)n3c(cnc3)C;Cc1cncn1c2nccc(CCNCCCc3cccc(F)c3)n2;Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F","InChI=1S/C19H22FN5/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3","","2014-10-21","2014-12-19","3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine","2014-12-24"],["KS1","1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H17 N7","n1c(c2c(nc1)n(nc2c3cc4ccnc4nc3)C5CCCC5)N;Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5;c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N","InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)","","2008-09-26","2011-06-04","1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["7F6","(1R,2R)-1,2-diphenylethane-1,2-diol","C14 H14 O2","C(C(c1ccccc1)O)(O)c2ccccc2;O[CH]([CH](O)c1ccccc1)c2ccccc2;c1ccc(cc1)C(C(c2ccccc2)O)O","InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1","cis-stilbene epoxide, bound form","2016-10-17","2024-09-27","(1R,2R)-1,2-diphenylethane-1,2-diol","2017-10-11"],["KS2","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","C15 H19 N3 O5","Cc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;Cc1ccc(cc1)c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H19N3O5/c1-7-2-4-8(5-3-7)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)23-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1","","2016-08-19","2017-06-09","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","2017-06-14"],["7F7","[6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate","C14 H20 N3 O6 P","Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]2CCCCNC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2CCCCNC2=O)O","InChI=1S/C14H20N3O6P/c1-9-13(18)11(10(6-16-9)8-23-24(20,21)22)7-17-12-4-2-3-5-15-14(12)19/h6-7,12,18H,2-5,8H2,1H3,(H,15,19)(H2,20,21,22)/b17-7+/t12-/m1/s1","","2016-10-18","2024-09-27","[6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate","2017-04-19"],["7F9","~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide","C18 H20 N2 O5","CCNC(=O)CN(C(=O)c1ccc(O)cc1O)c2ccc(OC)cc2;CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O","InChI=1S/C18H20N2O5/c1-3-19-17(23)11-20(12-4-7-14(25-2)8-5-12)18(24)15-9-6-13(21)10-16(15)22/h4-10,21-22H,3,11H2,1-2H3,(H,19,23)","","2016-10-18","2017-02-17","~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide","2017-02-22"],["KS3","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol","C18 H19 N3 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3nc([nH]n3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1","","2016-08-19","2017-05-26","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol","2017-05-31"],["KS4","1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H19 N5 O2","n1c(c2c(nc1)n(nc2c3ccc(OC)c(OC)c3)C4CCC4)N;COc1ccc(cc1OC)c2nn(C3CCC3)c4ncnc(N)c24;COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N","InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)","","2008-09-26","2011-06-04","1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["7FA","methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate","C19 H34 F O2 P","C(CCCCC=C/CC=C/CC=C/CCCCC)P(F)(OC)=O;CCCCCC=CCC=CCC=CCCCCC[P](F)(=O)OC;CCCCCC=CCC=CCC=CCCCCCP(=O)(OC)F","InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1","","2011-09-14","2024-09-27","methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate",""],["7FB","(2R)-hexane-1,2-diol","C6 H14 O2","OCC(CCCC)O;CCCC[CH](O)CO;CCCCC(CO)O","InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1","","2016-10-18","2024-09-27","(2R)-hexane-1,2-diol","2016-11-02"],["KS5","1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H16 N6","n1c(c2c(nc1)n(nc2c4cc3cccnc3cc4)C(C)C)N;CC(C)n1nc(c2ccc3ncccc3c2)c4c(N)ncnc14;CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N","InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21)","","2008-09-26","2011-06-04","1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["7FC","4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid","C16 H8 Cl2 O5","OC(=O)c1ccc(cc1)C2=C(O)C(=O)c3cc(Cl)cc(Cl)c3O2;c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O","InChI=1S/C16H8Cl2O5/c17-9-5-10-12(19)13(20)14(23-15(10)11(18)6-9)7-1-3-8(4-2-7)16(21)22/h1-6,20H,(H,21,22)","","2016-10-18","2017-01-13","4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid","2017-01-18"],["KS6","N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide","C22 H29 F N4 O2","Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC(CCC1)N1CCN(CC1)C(C)=O;CC(=O)N1CCN(CC1)[CH]2CCC[CH](C2)NC(=O)c3[nH]c4c(C)ccc(F)c4c3;Cc1ccc(c2c1[nH]c(c2)C(=O)NC3CCCC(C3)N4CCN(CC4)C(=O)C)F","InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1","","2022-02-14","2022-08-26","N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide","2022-08-31"],["KS7","4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane","C25 H32 N6 O3","COc1cc(cc(c1)OC)c5noc(N2CCN(C4(C2)CCN(c3cc(ncc3)C)CC4)C)n5;COc1cc(OC)cc(c1)c2noc(n2)N3CCN(C)C4(CCN(CC4)c5ccnc(C)c5)C3;Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC","InChI=1S/C25H32N6O3/c1-18-13-20(5-8-26-18)30-9-6-25(7-10-30)17-31(12-11-29(25)2)24-27-23(28-34-24)19-14-21(32-3)16-22(15-19)33-4/h5,8,13-16H,6-7,9-12,17H2,1-4H3","","2019-01-11","2019-02-08","4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane","2019-02-13"],["7FD","ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate","C24 H26 O3","Oc1ccc(cc1)C(=C2/CCCCC2)c3ccc([C@H]=CC(=O)OCC)cc3;CCOC(=O)C=Cc1ccc(cc1)[C](=[C]2CC[CH2]CC2)c3ccc(O)cc3;CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O","InChI=1S/C24H26O3/c1-2-27-23(26)17-10-18-8-11-20(12-9-18)24(19-6-4-3-5-7-19)21-13-15-22(25)16-14-21/h8-17,25H,2-7H2,1H3","","2016-10-18","2017-01-13","ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate","2017-01-18"],["7FE","~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide","C30 H29 Cl N4 O3","Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CN4CCCC4)cc3)C(=O)c5ccc(O)cc5O;Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl","InChI=1S/C30H29ClN4O3/c1-20-17-32-30(31)33-28(20)23-8-10-24(11-9-23)35(29(38)26-13-12-25(36)16-27(26)37)19-22-6-4-21(5-7-22)18-34-14-2-3-15-34/h4-13,16-17,36-37H,2-3,14-15,18-19H2,1H3","","2016-10-19","2017-02-17","~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide","2017-02-22"],["KS8","fosinoprilat","C23 H34 N O5 P","OC(=O)[CH]1C[CH](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3;c1ccc(cc1)CCCCP(=O)(CC(=O)N2CC(CC2C(=O)O)C3CCCCC3)O","InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1","","2019-06-19","2019-11-08","(2~{S},4~{S})-4-cyclohexyl-1-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid","2019-11-13"],["KS9","(phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate","C15 H21 N O3","CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(C)=O;CCC(C)C(C(=O)C)NC(=O)OCc1ccccc1","InChI=1S/C15H21NO3/c1-4-11(2)14(12(3)17)16-15(18)19-10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1","benzyl ((3S,4R)-1-chloro-4-methyl-2-oxohexan-3-yl)carb (reacted form of)","2022-06-07","2024-09-27","(phenylmethyl) ~{N}-[(3~{S},4~{S})-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate","2023-06-14"],["7FF","methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate","C11 H14 N2 O2","COC(=O)N1CCCc2cc(N)ccc12;COC(=O)N1CCCc2c1ccc(c2)N","InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3","","2016-10-19","2017-02-17","methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate","2017-02-22"],["KSA","K-252A","C27 H21 N3 O5","O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OC)C;COC(=O)[C]1(O)C[CH]2O[C]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35;CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O","InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1","","2003-09-23","2011-06-04","methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate",""],["7FG","ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate","C27 H30 O3","C1CCC2CCCC1C/2=C(/c3ccc(C=CC(OCC)=O)cc3)c4ccc(cc4)O;CCOC(=O)C=Cc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4;CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O","InChI=1S/C27H30O3/c1-2-30-25(29)18-11-19-9-12-22(13-10-19)27(23-14-16-24(28)17-15-23)26-20-5-3-6-21(26)8-4-7-20/h9-18,20-21,28H,2-8H2,1H3/t20-,21+","","2016-10-18","2017-01-13","ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate","2017-01-18"],["7FH","1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione","C6 H4 F3 N O S","S=C1C=CC(=CN1O)C(F)(F)F;ON1C=C(C=CC1=S)C(F)(F)F;C1=CC(=S)N(C=C1C(F)(F)F)O","InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-5(12)10(11)3-4/h1-3,11H","","2014-04-29","2015-03-06","1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione","2015-03-11"],["KSB","lambda-[Ru(tap2-dppz-CN)]2+","C39 H21 N13 Ru","N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1;c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N","InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;/q;;;+6","Cyano-derivative of Ruthenium-dipyridophenazine","2016-08-23","2024-01-03","","2018-01-17"],["KSC","7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C19 H22 N6 O2","COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1;Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4","InChI=1S/C19H22N6O2/c1-11-9-15(21-10-12-3-4-12)25-19(22-11)16(17(20)26)18(24-25)23-13-5-7-14(27-2)8-6-13/h5-9,12,21H,3-4,10H2,1-2H3,(H2,20,26)(H,23,24)","","2010-02-01","2011-06-04","7-(cyclopropylmethylamino)-2-[(4-methoxyphenyl)amino]-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide",""],["7FI","(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid","C8 H16 O4","CC(C)CC[CH](O)[CH](O)C(O)=O;CC(C)CCC(C(C(=O)O)O)O","InChI=1S/C8H16O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1","2R,3R-2,3-dihydroxy-6-methyl-heptanoate","2021-08-04","2022-08-05","(2~{R},3~{R})-6-methyl-2,3-bis(oxidanyl)heptanoic acid","2022-08-10"],["KSD","N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine","C26 H29 N O5","c3cc(COc1cc(OC)c(c(c1)OC)CNC(C(=O)O)C)c(C)c(c2ccccc2)c3;COc1cc(OCc2cccc(c2C)c3ccccc3)cc(OC)c1CN[CH](C)C(O)=O;Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNC(C)C(=O)O)OC","InChI=1S/C26H29NO5/c1-17-20(11-8-12-22(17)19-9-6-5-7-10-19)16-32-21-13-24(30-3)23(25(14-21)31-4)15-27-18(2)26(28)29/h5-14,18,27H,15-16H2,1-4H3,(H,28,29)/t18-/m1/s1","","2019-01-11","2019-02-15","N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine","2019-02-20"],["7FJ","4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol","C22 H18 O2","C1/C(Cc2c1cccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O;Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4;c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2","InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2","","2016-10-18","2017-01-13","4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol","2017-01-18"],["KSE","7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C20 H27 N7 O3","COc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1;Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N","InChI=1S/C20H27N7O3/c1-11-6-15(23-10-20(2,3)22)27-19(24-11)16(17(21)28)18(26-27)25-12-7-13(29-4)9-14(8-12)30-5/h6-9,23H,10,22H2,1-5H3,(H2,21,28)(H,25,26)","","2010-01-12","2011-06-04","7-[(2-azanyl-2-methyl-propyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide",""],["7FK","15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione","C20 H26 Cl N O4","O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCCCCC=CCCN2C;CN1CCC=CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O;CN1CCC=CCCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O","InChI=1S/C20H26ClNO4/c1-22-11-9-7-5-3-2-4-6-8-10-14(23)12-15-18(20(22)26)16(24)13-17(25)19(15)21/h5,7,13,24-25H,2-4,6,8-12H2,1H3/b7-5+","","2013-11-08","2014-09-05","(5E)-15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydro-2-benzazacyclohexadecine-1,13(2H,14H)-dione","2014-01-29"],["KSF","N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine","C18 H13 Cl N4","Clc1ccccc1Nc3ncc(n2c3cnc2)c4ccccc4;Clc1ccccc1Nc2ncc(n3cncc23)c4ccccc4;c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl","InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22)","","2008-04-14","2011-06-04","N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",""],["7FL","4,4'-(cycloheptylidenemethylene)diphenol","C20 H22 O2","Oc1ccc(cc1)C(=C2CCCCCC2)c3ccc(O)cc3;Oc1ccc(cc1)C(=C2CCCCCC2)c3ccc(O)cc3;c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O","InChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2","","2016-10-18","2017-01-13","4,4'-(cycloheptylidenemethylene)diphenol","2017-01-18"],["7FM","25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one","C25 H26 F3 N7 O3 S","c4c2Nc1ncc(c(n1)NCc5c(N(CCCCC(N3c(c(c2)CC3)c4)=O)S(=O)(=O)C)nccc5)C(F)(F)F;C[S](=O)(=O)N1CCCCC(=O)[N]2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23;CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F","InChI=1S/C25H26F3N7O3S/c1-39(37,38)35-11-3-2-6-21(36)34-12-9-16-13-18(7-8-20(16)34)32-24-31-15-19(25(26,27)28)22(33-24)30-14-17-5-4-10-29-23(17)35/h4-5,7-8,10,13,15H,2-3,6,9,11-12,14H2,1H3,(H2,30,31,32,33)","","2016-10-18","2016-12-16","25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one","2016-12-21"],["KSG","(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL\n2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE","C14 H25 N3 O9","O=C(O)C(=[N@H])NC2C(OC(OC1C(O)C(O)C(O)C(O)C1O)C(N)C2)C;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)[CH](N)C[CH]1NC(=N)C(O)=O;[H]N=C(C(=O)O)NC1CC(C(OC1C)OC2C(C(C(C(C2O)O)O)O)O)N","InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1","KASUGAMYCIN","2006-08-02","2020-06-17","(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[(Z)-carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside",""],["7FN","2,5 Furan Dicarboxylic Acid","C6 H4 O5","OC(=O)c1ccc(o1)C(O)=O;OC(=O)c1oc(cc1)C(O)=O;c1cc(oc1C(=O)O)C(=O)O","InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)","","2016-09-23","2017-10-13","furan-2,5-dicarboxylic acid","2017-10-18"],["KSH","2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C22 H28 N6 O4","CCc1cc(N2CCC[CH]2CO)n3nc(Nc4cc(OC)cc(OC)c4)c(C(N)=O)c3n1;CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCCC4CO","InChI=1S/C22H28N6O4/c1-4-13-10-18(27-7-5-6-15(27)12-29)28-22(25-13)19(20(23)30)21(26-28)24-14-8-16(31-2)11-17(9-14)32-3/h8-11,15,29H,4-7,12H2,1-3H3,(H2,23,30)(H,24,26)/t15-/m1/s1","","2010-01-12","2011-06-04","2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide",""],["KSI","1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one","C17 H25 Cl N2 O","CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O;CC(C)C[CH]1CN(CCN1Cc2cccc(Cl)c2)C(C)=O;CC(C)CC1CN(CCN1Cc2cccc(c2)Cl)C(=O)C","InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m0/s1","","2023-08-14","2024-09-27","1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one","2023-11-08"],["7FO","4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C24 H19 I O6 S","C2(=C(c1ccc(O)cc1)C3C(CC2O3)S(Oc4ccc(I)cc4)(=O)=O)c5ccc(cc5)O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(I)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O","InChI=1S/C24H19IO6S/c25-16-5-11-19(12-6-16)31-32(28,29)21-13-20-22(14-1-7-17(26)8-2-14)23(24(21)30-20)15-3-9-18(27)10-4-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1","","2016-10-18","2017-01-13","4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2017-01-18"],["KSJ","[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid","C14 H16 O4","C1(CCCC1CC(O)=O)C(c2ccccc2O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2O;c1ccc(c(c1)C(=O)C2CCCC2CC(=O)O)O","InChI=1S/C14H16O4/c15-12-7-2-1-5-11(12)14(18)10-6-3-4-9(10)8-13(16)17/h1-2,5,7,9-10,15H,3-4,6,8H2,(H,16,17)/t9-,10+/m0/s1","","2019-01-11","2020-01-10","[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid","2020-01-15"],["7FP","4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C26 H23 N O7 S","C1(=C(C2C(CC1O2)S(Oc3ccc(NC(=O)C)cc3)(=O)=O)c4ccc(cc4)O)c5ccc(cc5)O;CC(=O)Nc1ccc(O[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5)cc1;CC(=O)Nc1ccc(cc1)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C26H23NO7S/c1-15(28)27-18-6-12-21(13-7-18)34-35(31,32)23-14-22-24(16-2-8-19(29)9-3-16)25(26(23)33-22)17-4-10-20(30)11-5-17/h2-13,22-23,26,29-30H,14H2,1H3,(H,27,28)/t22-,23+,26+/m0/s1","","2016-10-18","2017-01-13","4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2017-01-18"],["7FQ","(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol","C26 H32 O3","c1cc2c(cc1O)CCC3C2CCC4(C3CC(C4O)Cc5ccc(cc5)OC)C;COc1ccc(C[CH]2C[CH]3[CH]4CCc5cc(O)ccc5[CH]4CC[C]3(C)[CH]2O)cc1;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Cc5ccc(cc5)OC)O","InChI=1S/C26H32O3/c1-26-12-11-22-21-10-6-19(27)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-7-20(29-2)8-4-16/h3-4,6-8,10,14,18,22-25,27-28H,5,9,11-13,15H2,1-2H3/t18-,22+,23+,24-,25-,26-/m0/s1","","2016-10-18","2017-01-13","(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol","2017-01-18"],["KSK","7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C22 H29 N7 O3","COc1cc(Nc2nn3c(NCC(C)(C)N)cc(nc3c2C(N)=O)C4CC4)cc(OC)c1;CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N","InChI=1S/C22H29N7O3/c1-22(2,24)11-25-17-10-16(12-5-6-12)27-21-18(19(23)30)20(28-29(17)21)26-13-7-14(31-3)9-15(8-13)32-4/h7-10,12,25H,5-6,11,24H2,1-4H3,(H2,23,30)(H,26,28)","","2010-01-12","2011-06-04","7-[(2-azanyl-2-methyl-propyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide",""],["KSL","N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine","C20 H18 N4","n2cc(n1c(cnc1)c2Nc3c(cccc3C)C)c4ccccc4;Cc1cccc(C)c1Nc2ncc(n3cncc23)c4ccccc4;Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C","InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)","","2008-05-13","2011-06-04","N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",""],["7FR","(9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol","C27 H33 N O","c1cc3c(cc1O)CCC4C2CCC(C2(C)CCC34)=Nc5ccc(cc5)C(C)C;CC(C)c1ccc(cc1)N=C2CC[CH]3[CH]4CCc5cc(O)ccc5[CH]4CC[C]23C;CC(C)c1ccc(cc1)N=C2CCC3C2(CCC4C3CCc5c4ccc(c5)O)C","InChI=1S/C27H33NO/c1-17(2)18-4-7-20(8-5-18)28-26-13-12-25-24-10-6-19-16-21(29)9-11-22(19)23(24)14-15-27(25,26)3/h4-5,7-9,11,16-17,23-25,29H,6,10,12-15H2,1-3H3/b28-26-/t23-,24-,25+,27+/m1/s1","","2016-10-18","2017-01-13","(9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol","2017-01-18"],["7FS","(9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol","C27 H35 N O","c1c(O)cc2c(c1)C3C(CC2)C4C(CC3)(C(CC4)Nc5ccc(cc5)C(C)C)C;CC(C)c1ccc(N[CH]2CC[CH]3[CH]4CCc5cc(O)ccc5[CH]4CC[C]23C)cc1;CC(C)c1ccc(cc1)NC2CCC3C2(CCC4C3CCc5c4ccc(c5)O)C","InChI=1S/C27H35NO/c1-17(2)18-4-7-20(8-5-18)28-26-13-12-25-24-10-6-19-16-21(29)9-11-22(19)23(24)14-15-27(25,26)3/h4-5,7-9,11,16-17,23-26,28-29H,6,10,12-15H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1","","2016-10-18","2017-01-13","(9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol","2017-01-18"],["KSM","N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine","C22 H23 Cl N6","Clc1cccc(c1Nc4nc2c(cc(cc2)N3CC(NCC3)C)n5c4cnc5)C;C[CH]1CN(CCN1)c2ccc3nc(Nc4c(C)cccc4Cl)c5cncn5c3c2;Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCNC(C5)C)Cl","InChI=1S/C22H23ClN6/c1-14-4-3-5-17(23)21(14)27-22-20-11-24-13-29(20)19-10-16(6-7-18(19)26-22)28-9-8-25-15(2)12-28/h3-7,10-11,13,15,25H,8-9,12H2,1-2H3,(H,26,27)/t15-/m0/s1","","2008-04-17","2011-06-04","N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine",""],["KSN","(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid","C10 H16 N2 O7","N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C(=O)O)N","InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1","","2019-06-20","2019-11-08","(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid","2019-11-13"],["7FT","4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine","C22 H22 Cl N5 O","COc1c(C)cnc(Cn2cc(Cc3ccccc3)c4c(Cl)nc(N)nc24)c1C;Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4","InChI=1S/C22H22ClN5O/c1-13-10-25-17(14(2)19(13)29-3)12-28-11-16(9-15-7-5-4-6-8-15)18-20(23)26-22(24)27-21(18)28/h4-8,10-11H,9,12H2,1-3H3,(H2,24,26,27)","","2016-10-19","2017-10-06","4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine","2017-10-11"],["KSP","[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid","C14 H16 O4","c1cccc(c1O)C(C2C(CCC2)CC(O)=O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2O;c1ccc(c(c1)C(=O)C2CCCC2CC(=O)O)O","InChI=1S/C14H16O4/c15-12-7-2-1-5-11(12)14(18)10-6-3-4-9(10)8-13(16)17/h1-2,5,7,9-10,15H,3-4,6,8H2,(H,16,17)/t9-,10+/m1/s1","","2019-01-11","2020-01-10","[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid","2020-01-15"],["7FU","2-Hydrazino-1,3-benzothiazole-6-carbohydrazide","C8 H9 N5 O S","NNC(=O)c1ccc2nc(NN)sc2c1;c1cc2c(cc1C(=O)NN)sc(n2)NN","InChI=1S/C8H9N5OS/c9-12-7(14)4-1-2-5-6(3-4)15-8(11-5)13-10/h1-3H,9-10H2,(H,11,13)(H,12,14)","","2016-10-19","2017-02-17","2-diazanyl-1,3-benzothiazole-6-carbohydrazide","2017-02-22"],["KSR","6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine","C16 H14 N4 O","COc1ccc2n(C)cc(c3[nH]c4nccnc4c3)c2c1;Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4","InChI=1S/C16H14N4O/c1-20-9-12(11-7-10(21-2)3-4-15(11)20)13-8-14-16(19-13)18-6-5-17-14/h3-9H,1-2H3,(H,18,19)","","2010-01-13","2011-06-04","6-(5-methoxy-1-methyl-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine",""],["7FV","[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone","C27 H24 N2 O3","C[CH]1CCc2cc(ccc2N1C(=O)c3ccc(O)cc3O)c4nc5ccccc5cc4C;Cc1cc2ccccc2nc1c3ccc4c(c3)CCC(N4C(=O)c5ccc(cc5O)O)C","InChI=1S/C27H24N2O3/c1-16-13-18-5-3-4-6-23(18)28-26(16)20-9-12-24-19(14-20)8-7-17(2)29(24)27(32)22-11-10-21(30)15-25(22)31/h3-6,9-15,17,30-31H,7-8H2,1-2H3/t17-/m0/s1","","2016-10-19","2017-02-17","[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone","2017-02-22"],["KSS","7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine","C16 H17 N3 O2 S","CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3;CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC","InChI=1S/C16H17N3O2S/c1-4-22-16-18-12(10-15-17-7-8-19(15)16)11-5-6-13(20-2)14(9-11)21-3/h5-10H,4H2,1-3H3","","2010-01-13","2011-06-04","7-(3,4-dimethoxyphenyl)-5-ethylsulfanyl-imidazo[2,1-f]pyrimidine",""],["7FW","~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide","C31 H26 N4 O4","CN(Cc1ccc2nccnc2c1)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(O)cc5O;CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O","InChI=1S/C31H26N4O4/c1-34(19-22-7-14-27-28(17-22)33-16-15-32-27)30(38)23-8-10-24(11-9-23)35(20-21-5-3-2-4-6-21)31(39)26-13-12-25(36)18-29(26)37/h2-18,36-37H,19-20H2,1H3","","2016-10-19","2017-02-17","~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide","2017-02-22"],["KST","N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE","C11 H16 N2 O4 S","O=C(O)C(N)CCCCNc1cc(sc1)C(=O)O;N[CH](CCCCNc1csc(c1)C(O)=O)C(O)=O;c1c(csc1C(=O)O)NCCCCC(C(=O)O)N","InChI=1S/C11H16N2O4S/c12-8(10(14)15)3-1-2-4-13-7-5-9(11(16)17)18-6-7/h5-6,8,13H,1-4,12H2,(H,14,15)(H,16,17)/t8-/m0/s1","","2007-06-12","2024-09-27","N~6~-(5-carboxythiophen-3-yl)-L-lysine",""],["7FX","[2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone","C14 H12 F3 N3 O3","Oc1ccc(c(O)c1)C(=O)N2CC[CH](n3nccc23)C(F)(F)F;c1cc(c(cc1O)O)C(=O)N2CCC(n3c2ccn3)C(F)(F)F","InChI=1S/C14H12F3N3O3/c15-14(16,17)11-4-6-19(12-3-5-18-20(11)12)13(23)9-2-1-8(21)7-10(9)22/h1-3,5,7,11,21-22H,4,6H2/t11-/m0/s1","","2016-10-19","2017-02-17","[2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone","2017-02-22"],["7FY","~{N}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide","C18 H15 N O4 S","O=C1CC=C(CC1=O)N[S](=O)(=O)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3","InChI=1S/C18H15NO4S/c20-17-11-8-15(12-18(17)21)19-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-10,19H,11-12H2","","2016-10-19","2016-10-28","~{N}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide","2016-11-02"],["KSU","1-phenylpyrrolidine-2,5-dione","C10 H9 N O2","O=C1CCC(=O)N1c2ccccc2;c1ccc(cc1)N2C(=O)CCC2=O","InChI=1S/C10H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2","N-Phenylmaleimide (reacted form of)","2022-06-07","2024-09-27","1-phenylpyrrolidine-2,5-dione","2023-06-14"],["7FZ","(1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol","C17 H18 O2","Oc1c(cc(cc1C)c3cc2CCC(c2cc3)O)C;Cc1cc(cc(C)c1O)c2ccc3[CH](O)CCc3c2;Cc1cc(cc(c1O)C)c2ccc3c(c2)CCC3O","InChI=1S/C17H18O2/c1-10-7-14(8-11(2)17(10)19)12-3-5-15-13(9-12)4-6-16(15)18/h3,5,7-9,16,18-19H,4,6H2,1-2H3/t16-/m0/s1","","2016-10-19","2017-01-13","(1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol","2017-01-18"],["KSV","(2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate","C5 H13 O6 P","C(C)OP(=O)(OCC(CO)O)O;CCO[P](O)(=O)OC[CH](O)CO;CCOP(=O)(O)OCC(CO)O","InChI=1S/C5H13O6P/c1-2-10-12(8,9)11-4-5(7)3-6/h5-7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1","","2019-01-11","2019-07-19","(2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate","2019-07-24"],["KSW","2-methylcyclopenta-2,4-dien-1-one","C6 H6 O","CC1=CC=CC1=O;CC1=CC=CC1=O","InChI=1S/C6H6O/c1-5-3-2-4-6(5)7/h2-4H,1H3","","2019-06-20","2020-01-24","2-methylcyclopenta-2,4-dien-1-one","2020-01-29"],["7G0","(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol","C16 H22 O2","c1c(ccc(c1)C2CC3C(CC2)(C(CC3)O)C)O;C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)cc3;CC12CCC(CC1CCC2O)c3ccc(cc3)O","InChI=1S/C16H22O2/c1-16-9-8-12(10-13(16)4-7-15(16)18)11-2-5-14(17)6-3-11/h2-3,5-6,12-13,15,17-18H,4,7-10H2,1H3/t12-,13-,15-,16-/m0/s1","","2016-10-19","2017-01-13","(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol","2017-01-18"],["KSX","2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide","C14 H12 N4 O","O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1;Cc1ccncc1NC(=O)Cc2cncc(c2)C#N;Cc1ccncc1NC(=O)Cc2cc(cnc2)C#N","InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19)","","2023-08-14","2023-11-03","2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["7G1","(1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol","C18 H24 O2","C1C4(CC2C(C1)(C)C(O)CC2)c3ccc(O)cc3CC4;C[C]12CC[C]3(CCc4cc(O)ccc34)C[CH]1CC[CH]2O;CC12CCC3(CCc4c3ccc(c4)O)CC1CCC2O","InChI=1S/C18H24O2/c1-17-8-9-18(11-13(17)2-5-16(17)20)7-6-12-10-14(19)3-4-15(12)18/h3-4,10,13,16,19-20H,2,5-9,11H2,1H3/t13-,16-,17-,18-/m0/s1","","2016-10-19","2017-01-13","(1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol","2017-01-18"],["KSY","4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","C17 H16 N2 O3","c21C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O;Oc1cccc(CCCNc2cccc3C(=O)NC(=O)c23)c1;c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O","InChI=1S/C17H16N2O3/c20-12-6-1-4-11(10-12)5-3-9-18-14-8-2-7-13-15(14)17(22)19-16(13)21/h1-2,4,6-8,10,18,20H,3,5,9H2,(H,19,21,22)","","2019-01-13","2019-05-03","4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","2019-05-08"],["7G2","3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol","C13 H10 F N O3","Oc1c(cc(cc1)c2ccc(c(c2)C=NO)O)F;ON=Cc1cc(ccc1O)c2ccc(O)c(F)c2;c1cc(c(cc1c2ccc(c(c2)F)O)C=NO)O","InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-7,16-18H/b15-7+","","2016-10-19","2017-01-13","3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol","2017-01-18"],["KSZ","~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate","C28 H33 Cl N6 O4","COc1ccc2n3c(C)nnc3[CH](CC(=O)NCCCNC(=O)OC(C)(C)C)N=C(c4ccc(Cl)cc4)c2c1;Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC","InChI=1S/C28H33ClN6O4/c1-17-33-34-26-22(16-24(36)30-13-6-14-31-27(37)39-28(2,3)4)32-25(18-7-9-19(29)10-8-18)21-15-20(38-5)11-12-23(21)35(17)26/h7-12,15,22H,6,13-14,16H2,1-5H3,(H,30,36)(H,31,37)/t22-/m0/s1","","2019-06-20","2019-07-26","~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate","2019-07-31"],["7G3","3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol","C13 H11 N O3","Oc2ccc(c1cc(C=N/O)c(O)cc1)cc2;ON=Cc1cc(ccc1O)c2ccc(O)cc2;c1cc(ccc1c2ccc(c(c2)C=NO)O)O","InChI=1S/C13H11NO3/c15-12-4-1-9(2-5-12)10-3-6-13(16)11(7-10)8-14-17/h1-8,15-17H/b14-8-","","2016-10-19","2017-01-13","3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol","2017-01-18"],["KT0","5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine","C17 H18 N6 O8 S","Oc1ccccc1C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4ccccc4O)[CH](O)[CH]3O;c1ccc(c(c1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1","","2022-02-14","2022-05-13","5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine","2022-05-18"],["7G4","ruthenocene","C10 H10 Ru","C1%12C%11C4C35;[Ru].C1CCCC1.C2CCCC2;C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91","InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;","bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2016-10-19","2021-03-13","bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2017-11-08"],["KT1","4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","C18 H18 N2 O4","c2cc1C(=O)NC(c1c(c2)NCCCc3c(OC)cc(cc3)O)=O;COc1cc(O)ccc1CCCNc2cccc3C(=O)NC(=O)c23;COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O","InChI=1S/C18H18N2O4/c1-24-15-10-12(21)8-7-11(15)4-3-9-19-14-6-2-5-13-16(14)18(23)20-17(13)22/h2,5-8,10,19,21H,3-4,9H2,1H3,(H,20,22,23)","","2019-01-13","2019-05-03","4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","2019-05-08"],["7G5","3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione","C16 H14 O4 S","c1cc(O)ccc1C=2CS(CC=2c3ccc(cc3)O)(=O)=O;Oc1ccc(cc1)C2=C(C[S](=O)(=O)C2)c3ccc(O)cc3;c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O","InChI=1S/C16H14O4S/c17-13-5-1-11(2-6-13)15-9-21(19,20)10-16(15)12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2","","2016-10-19","2017-01-13","3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione","2017-01-18"],["7G6","6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one","C35 H35 F N6 O3","CN1CCN(CC1)c2ccc(NC3=CC(=CN(C)C3=O)c4cccc(N5C=Cc6cc(cc(F)c6C5=O)C7CC7)c4CO)nc2;CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7","InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)","","2016-10-19","2017-05-19","6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one","2017-05-24"],["KT2","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","C21 H25 N9 O13 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6ccc7c(N)ncnc67;c1cn(c2c1c(ncn2)N)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6N=C(NC7=O)N)O)O)O","InChI=1S/C21H25N9O13P2/c22-15-7-1-2-29(16(7)25-5-24-15)19-12(32)13-9(41-19)4-39-45(36,37)43-14-11(31)8(3-38-44(34,35)42-13)40-20(14)30-6-26-10-17(30)27-21(23)28-18(10)33/h1-2,5-6,8-9,11-14,19-20,31-32H,3-4H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,27,28,33)/t8-,9-,11-,12-,13-,14-,19-,20-/m1/s1","","2019-06-20","2019-11-22","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","2019-11-27"],["7G7","6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one","C34 H37 F N8 O3","CN1CCC(CC1)c2ccc(NC3=CC(=NN(C)C3=O)c4ccnc(N5N=Cc6cc(cc(F)c6C5=O)C(C)(C)C)c4CO)nc2;CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO","InChI=1S/C34H37FN8O3/c1-34(2,3)23-14-22-18-38-43(33(46)30(22)26(35)15-23)31-25(19-44)24(8-11-36-31)27-16-28(32(45)42(5)40-27)39-29-7-6-21(17-37-29)20-9-12-41(4)13-10-20/h6-8,11,14-18,20,44H,9-10,12-13,19H2,1-5H3,(H,37,39)","","2016-10-19","2017-05-19","6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one","2017-05-24"],["KT3","N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID","C32 H40 F3 N7 O14","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)C(C(O)(O)C(F)(F)F)CCCc2c(O)nc(nc2N)N)CCC(=O)O;Nc1nc(N)c(CCC[CH](c2ccc(cc2)C(=O)N[CH](CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)(O)C(F)(F)F)c(O)n1;c1cc(ccc1C(CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C32H40F3N7O14/c33-32(34,35)31(55,56)17(3-1-2-16-24(36)41-30(37)42-26(16)48)14-4-6-15(7-5-14)25(47)40-20(29(53)54)9-12-22(44)38-18(27(49)50)8-11-21(43)39-19(28(51)52)10-13-23(45)46/h4-7,17-20,55-56H,1-3,8-13H2,(H,38,44)(H,39,43)(H,40,47)(H,45,46)(H,49,50)(H,51,52)(H,53,54)(H5,36,37,41,42,48)/t17-,18?,19?,20-/m0/s1","","2003-11-18","2011-06-04","N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamylglutamic acid",""],["KT4","4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","C17 H16 N2 O4","C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O;Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)c(O)c1;c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O","InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23)","","2019-01-13","2019-05-03","4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","2019-05-08"],["7G8","4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide","C26 H24 F N7 O3","CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1;CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F","InChI=1S/C26H24FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)","","2016-10-19","2024-09-27","4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide","2017-05-24"],["KT5","N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID","C42 H54 F3 N9 O20","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)C(C(O)(O)C(F)(F)F)CCCc2c(O)nc(nc2N)N)CCC(=O)O;Nc1nc(N)c(CCC[CH](c2ccc(cc2)C(=O)N[CH](CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)(O)C(F)(F)F)c(O)n1;c1cc(ccc1C(CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C42H54F3N9O20/c43-42(44,45)41(73,74)21(3-1-2-20-32(46)53-40(47)54-34(20)62)18-4-6-19(7-5-18)33(61)52-26(39(71)72)11-16-30(58)50-24(37(67)68)9-14-28(56)48-22(35(63)64)8-13-27(55)49-23(36(65)66)10-15-29(57)51-25(38(69)70)12-17-31(59)60/h4-7,21-26,73-74H,1-3,8-17H2,(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H,52,61)(H,59,60)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H5,46,47,53,54,62)/t21-,22?,23?,24?,25?,26-/m0/s1","","2003-11-11","2011-06-04","N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamylglutamic acid",""],["7G9","~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide","C22 H24 F N5 O3","CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1;CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F","InChI=1S/C22H24FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)","","2016-10-19","2024-09-27","~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide","2017-05-24"],["7GA","2,4-DIMETHYLPENTANAL","C7 H14 O2","CC(C)C[CH](C)C(O)=O;CC(C)CC(C)C(=O)O","InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1","","2015-07-30","2024-09-27","(2S)-2,4-dimethylpentanoic acid","2015-09-30"],["KT6","4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide","C9 H9 Cl2 N O2 S","OCCNC(=O)c1cc(Cl)c(Cl)cc1S;c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO","InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14)","5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of)","2022-06-07","2024-09-27","4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide","2023-06-14"],["KT7","5-hydroxy-1H-isoindole-1,3(2H)-dione","C8 H5 N O3","c1c(ccc2C(NC(c12)=O)=O)O;Oc1ccc2C(=O)NC(=O)c2c1;c1cc2c(cc1O)C(=O)NC2=O","InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)","","2019-01-13","2019-05-03","5-hydroxy-1H-isoindole-1,3(2H)-dione","2019-05-08"],["7GB","6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one","C25 H24 N6 O3","CC=CC(=O)N1CC[CH](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CC=CC(=O)N1CCC(C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5","InChI=1S/C25H24N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h2-12,16,18H,13-15H2,1H3,(H2,26,27,28)/b6-2+/t18-/m1/s1","","2016-10-19","2024-09-27","6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one","2017-05-24"],["KT8","2'3'-cyclic-GMP-2'F-2'dAMP","C20 H23 F N10 O12 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6N=C(NC7=O)N)O)O)F)N","InChI=1S/C20H23FN10O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1","","2019-06-20","2019-11-22","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-2-azanyl-1~{H}-purin-6-one","2019-11-27"],["7GC","4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide","C11 H11 N3 O3 S2","Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O;Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2sccn2;Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2","InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15)","4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide","2016-10-19","2021-03-13","4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide","2018-04-18"],["KT9","N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide","C16 H16 N4 O3","Cc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1;Cc1cc(NC(=O)Cc2cncnc2)cc(O[CH]3CC(=O)N3)c1;Cc1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3","InChI=1S/C16H16N4O3/c1-10-2-12(5-13(3-10)23-16-6-15(22)20-16)19-14(21)4-11-7-17-9-18-8-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1","","2023-08-14","2023-11-03","N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide","2023-11-08"],["7GD","7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C12 H11 N5","c1c(cccc1)Cc2cc(nc3c2nnn3)N;Nc1cc(Cc2ccccc2)c3[nH]nnc3n1;c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N","InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)","","2016-10-19","2020-10-09","7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2020-10-14"],["7GE","pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)","C7 H6 Cl5 N2 Ru","Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1;c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl","InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7;;;;;;/h1-5H,(H,8,9);5*1H;/q;;;;;;+5/p-5","","2016-10-12","2025-11-10","pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)","2017-07-19"],["KTA","(S)-CYCLOHEXANONE-2-ACETATE","C8 H12 O3","O=C(O)CC1CC(=O)CCC1;OC(=O)C[CH]1CCCC(=O)C1;C1CC(CC(=O)C1)CC(=O)O","InChI=1S/C8H12O3/c9-7-3-1-2-6(4-7)5-8(10)11/h6H,1-5H2,(H,10,11)/t6-/m0/s1","","2006-09-19","2011-06-04","[(1S)-3-oxocyclohexyl]acetic acid",""],["KTB","NeuGc GM3","C23 H39 N O20","OC[CH](O)[CH](O)[CH]1O[C](C[CH](O)[CH]1NC(=O)CO)(O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH]2O)C(O)=O;C1C(C(C(OC1(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)O)CO)CO)O)C(C(CO)O)O)NC(=O)CO)O","InChI=1S/C23H39NO20/c25-2-7(30)12(32)18-11(24-10(31)5-28)6(29)1-23(43-18,22(38)39)44-19-13(33)8(3-26)41-21(16(19)36)42-17-9(4-27)40-20(37)15(35)14(17)34/h6-9,11-21,25-30,32-37H,1-5H2,(H,24,31)(H,38,39)/t6-,7+,8+,9+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1","","2019-06-21","2021-03-08","(2~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-5-(2-oxidanylethanoylamino)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","2020-07-15"],["7GF","methyl (2Z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate","C13 H13 Br N2 O3 S","COC(=O)C(CN)=C1SCC(=O)N1c2ccc(Br)cc2;COC(=O)C(=C1N(C(=O)CS1)c2ccc(cc2)Br)CN","InChI=1S/C13H13BrN2O3S/c1-19-13(18)10(6-15)12-16(11(17)7-20-12)9-4-2-8(14)3-5-9/h2-5H,6-7,15H2,1H3/b12-10-","","2016-10-20","2017-02-24","methyl (2~{Z})-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate","2017-03-01"],["7GG","6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine","C17 H20 N6","CCN(CC)C=Cc1nc(Nc2ccccc2)nc3nc[nH]c13;CCN(CC)C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccccc3","InChI=1S/C17H20N6/c1-3-23(4-2)11-10-14-15-16(19-12-18-15)22-17(21-14)20-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,18,19,20,21,22)/b11-10-","","2016-10-20","2016-10-28","6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine","2016-11-02"],["KTC","10-oxooctadecanoic acid","C18 H34 O3","O=C(O)CCCCCCCCC(=O)CCCCCCCC;CCCCCCCCC(=O)CCCCCCCCC(O)=O;CCCCCCCCC(=O)CCCCCCCCC(=O)O","InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)","","2014-06-20","2015-02-20","10-oxooctadecanoic acid","2015-02-25"],["KTD","1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea","C15 H12 N4 O2 S","O=C(c1ccccc1)CNC(=O)Nc2ccc3nnsc3c2;O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2;c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3","InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)","","2012-11-04","2012-11-30","1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea","2012-11-30"],["7GI","Repotrectinib","C18 H18 F N5 O2","C[CH]1CNC(=O)c2cnn3ccc(N[CH](C)c4cc(F)ccc4O1)nc23;CC1CNC(=O)c2cnn3c2nc(cc3)NC(c4cc(ccc4O1)F)C","InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1","TPX-0005","2021-10-01","2021-10-08","","2021-10-13"],["KTE","(2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol","C10 H20 O9","OC[CH](O)[CH](O)CO[C]1(CO)O[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)OCC(C(CO)O)O)O)O)O","InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1","","2019-06-20","2021-04-23","(2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol","2021-04-28"],["7GJ","3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide","C21 H26 N6 O2","CN(C)C(=O)c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1;CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3","InChI=1S/C21H26N6O2/c1-27(2)20(28)15-9-6-10-16(11-15)24-21-25-18-17(22-13-23-18)19(26-21)29-12-14-7-4-3-5-8-14/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H2,22,23,24,25,26)","","2016-10-20","2016-11-04","3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide","2016-11-09"],["KTF","(3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile","C24 H25 N5 O2","N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1ccc(cc1)C1CCCCC1;O=C1C=C(Nc2n1ncc2C(=O)N3CC[CH](C3)C#N)c4ccc(cc4)C5CCCCC5;c1cc(ccc1C2CCCCC2)C3=CC(=O)n4c(c(cn4)C(=O)N5CCC(C5)C#N)N3","InChI=1S/C24H25N5O2/c25-13-16-10-11-28(15-16)24(31)20-14-26-29-22(30)12-21(27-23(20)29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-9,12,14,16-17,27H,1-5,10-11,15H2/t16-/m0/s1","","2022-02-15","2023-04-28","(3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile","2023-05-03"],["7GK","2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile","C18 H17 N5","C1N(CCNC1)c2ccc(cc2)c4cc3c(nccc3C#N)n4;N#Cc1ccnc2[nH]c(cc12)c3ccc(cc3)N4CCNCC4;c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4","InChI=1S/C18H17N5/c19-12-14-5-6-21-18-16(14)11-17(22-18)13-1-3-15(4-2-13)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2,(H,21,22)","","2016-10-20","2017-10-06","2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile","2017-10-11"],["KTG","4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","C17 H16 N2 O3","C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O;Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)cc1;c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O","InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22)","","2019-01-13","2019-05-03","4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","2019-05-08"],["7GL","6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide","C16 H18 N6 O","c1c(cc(C)cc1C)Nc2nn3c(c(c2)NC)ncc3C(=O)N;CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O;Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C","InChI=1S/C16H18N6O/c1-9-4-10(2)6-11(5-9)20-14-7-12(18-3)16-19-8-13(15(17)23)22(16)21-14/h4-8,18H,1-3H3,(H2,17,23)(H,20,21)","","2016-10-20","2016-12-22","6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide","2016-12-28"],["KTH","2-KETOTHIAZOLE","C4 H3 N O S","O=Cc1nccs1;O=Cc1sccn1;c1csc(n1)C=O","InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H","","1999-07-08","2011-08-06","1,3-thiazole-2-carbaldehyde",""],["7GM","(3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine","C16 H23 N O S","CSc1ccc(O[C]2(C)CCN(CC3CC3)C2)cc1;CC1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC","InChI=1S/C16H23NOS/c1-16(9-10-17(12-16)11-13-3-4-13)18-14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3/t16-/m1/s1","","2015-03-08","2015-05-08","(3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine","2015-05-13"],["7GP","N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine","C10 H17 N O8","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OCC;CCOC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCOC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C10H17NO8/c1-2-18-10(17)8(16)11-9-7(15)6(14)5(13)4(3-12)19-9/h4-7,9,12-15H,2-3H2,1H3,(H,11,16)/t4-,5-,6+,7-,9-/m1/s1","ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE; N-[ethoxy(oxo)acetyl]-beta-D-glucosylamine;\nN-[ethoxy(oxo)acetyl]-D-glucosylamine; N-[ethoxy(oxo)acetyl]-glucosylamine","2006-01-25","2020-07-17","N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine",""],["KTI","(E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide","C16 H14 Cl2 N2 O4 S","COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1;COc1ccc(nc1)NC(=O)C=C(S(=O)(=O)Cc2ccccc2Cl)Cl","InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8-","(E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of)","2022-06-07","2024-09-27","(~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide","2023-06-14"],["7GQ","N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide","C22 H20 Cl2 N8 O2","Clc2c1c(N)noc1c(nc2)N3CC4C(C3CC4)NC(c5ccc(cc5Cl)n6nc(nc6)C)=O;Cc1ncn(n1)c2ccc(C(=O)N[CH]3[CH]4CC[CH]3N(C4)c5ncc(Cl)c6c(N)noc56)c(Cl)c2;Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)NC3C4CCC3N(C4)c5c6c(c(cn5)Cl)c(no6)N","InChI=1S/C22H20Cl2N8O2/c1-10-27-9-32(29-10)12-3-4-13(14(23)6-12)22(33)28-18-11-2-5-16(18)31(8-11)21-19-17(15(24)7-26-21)20(25)30-34-19/h3-4,6-7,9,11,16,18H,2,5,8H2,1H3,(H2,25,30)(H,28,33)/t11-,16-,18+/m0/s1","","2016-10-21","2017-04-21","N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide","2017-04-26"],["KTJ","4-(3-amino-1H-pyrazol-4-yl)phenol","C9 H9 N3 O","n2c(N)c(c1ccc(O)cc1)cn2;Nc1n[nH]cc1c2ccc(O)cc2;c1cc(ccc1c2c[nH]nc2N)O","InChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12)","","2013-05-30","2013-06-28","4-(3-amino-1H-pyrazol-4-yl)phenol","2013-07-03"],["KTK","4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol","C15 H13 N3 O3","Oc3ccc(c2c(c1ccc(O)cc1)c(nn2)N)c(O)c3;Nc1n[nH]c(c2ccc(O)cc2O)c1c3ccc(O)cc3;c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O","InChI=1S/C15H13N3O3/c16-15-13(8-1-3-9(19)4-2-8)14(17-18-15)11-6-5-10(20)7-12(11)21/h1-7,19-21H,(H3,16,17,18)","","2013-05-30","2013-06-28","4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol","2013-07-03"],["7GR","(2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid","C17 H26 N3 O7 P","CC(C)C[CH](NC(=O)CN[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(22)23)20-15(21)9-19-28(25,26)11-18-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)(H2,19,25,26)/t14-/m0/s1","","2016-10-21","2017-08-11","(2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid","2017-08-16"],["KTL","(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate","C12 H24 O12 S2","OC[CH](O)[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O","InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25-/m0/s1","","2010-01-14","2011-06-04","[(2S,3S,4R,5R,6S)-1-[(1S,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxy-heptan-3-yl] sulfate",""],["7GS","{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone","C31 H31 F N8 O2","c7c(c(c1cc2c(cc1)c(nn2)c4nc3CCN(Cc3n4)C(=O)c5ncc(nc5)N6CCCCC6)cc(c7O)F)CC;CCc1cc(O)c(F)cc1c2ccc3c(c2)n[nH]c3c4[nH]c5CN(CCc5n4)C(=O)c6cnc(cn6)N7CCCCC7;CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O","InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)","","2016-10-24","2017-01-06","{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone","2017-01-11"],["7GT","{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone","C24 H30 N6 O3 S","c1cccc(c1)S(C5CCN(C(N2CCC(C(C2)N(C)c4c3ccnc3ncn4)C)=O)C5)(=O)=O;C[CH]1CCN(C[CH]1N(C)c2ncnc3[nH]ccc23)C(=O)N4CC[CH](C4)[S](=O)(=O)c5ccccc5;CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCC(C4)S(=O)(=O)c5ccccc5","InChI=1S/C24H30N6O3S/c1-17-9-12-30(15-21(17)28(2)23-20-8-11-25-22(20)26-16-27-23)24(31)29-13-10-19(14-29)34(32,33)18-6-4-3-5-7-18/h3-8,11,16-17,19,21H,9-10,12-15H2,1-2H3,(H,25,26,27)/t17-,19-,21+/m1/s1","","2016-10-24","2017-01-06","{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone","2017-01-11"],["KTM","4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","C15 H12 N2 O3","c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O;Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23;c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O","InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)","","2019-01-13","2019-05-03","4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","2019-05-08"],["KTN","CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE","C26 H28 Cl2 N4 O4","O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3cncc3)cc4)CC5)C;CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2;CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl","InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1","KETOCONAZOLE","2001-09-20","2021-03-01","1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine",""],["7GU","7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C11 H15 N4 O7 P","O=C1c2c(N=C(N)N1)n(cc2)C3OC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(ccc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1cn(c2c1C(=O)NC(=N2)N)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H15N4O7P/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(22-8)4-21-23(18,19)20/h1-2,6-8,16H,3-4H2,(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1","","2004-08-08","2011-06-04","2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["KTO","(1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one","C8 H13 N O2","ON1[CH]2CCC[CH]1CC(=O)C2;C1CC2CC(=O)CC(C1)N2O","InChI=1S/C8H13NO2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-7,11H,1-5H2/t6-,7+","","2016-05-12","2024-10-03","(1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one","2016-09-14"],["7GV","{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone","C18 H26 N6 O","C3CC(C(N(C)c2c1c(ncc1)ncn2)CN3C(=O)N4CCCC4)C;C[CH]1CCN(C[CH]1N(C)c2ncnc3[nH]ccc23)C(=O)N4CCCC4;CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4","InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1","","2016-10-24","2017-01-06","{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone","2017-01-11"],["7GW","(2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol","C6 H12 O6","OC[CH]1O[CH](C(O)O)[CH](O)[CH]1O;C(C1C(C(C(O1)C(O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(12-2)6(10)11/h2-11H,1H2/t2-,3+,4+,5+/m0/s1","","2016-10-24","2017-04-28","(2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol","2017-05-03"],["KTP","(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID","C22 H17 O4 P","O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O;O[P](O)(=O)[CH](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34;c1ccc2cc(ccc2c1)C(=O)C(c3cccc4c3cccc4)P(=O)(O)O","InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1","BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID","2002-02-14","2020-06-17","[(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid",""],["KTQ","~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine","C22 H20 N4 O3","COc1ccc(CCNc2n3ccccc3nc2c4ccc(cc4)[N+]([O-])=O)cc1;COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-]","InChI=1S/C22H20N4O3/c1-29-19-11-5-16(6-12-19)13-14-23-22-21(24-20-4-2-3-15-25(20)22)17-7-9-18(10-8-17)26(27)28/h2-12,15,23H,13-14H2,1H3","","2019-06-21","2021-01-08","~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine","2021-01-13"],["7GX","6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide","C22 H20 N4 O2","c1c(c(ccc1O)c4cc3nnc(C(Nc2ccc(C)nc2)=O)c3cc4)CC;CCc1cc(O)ccc1c2ccc3c([nH]nc3C(=O)Nc4ccc(C)nc4)c2;CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O","InChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26)","","2016-10-24","2017-01-06","6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide","2017-01-11"],["7GY","6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide","C16 H15 N3 O2","c1c(c(ccc1O)c2ccc3c(c2)nnc3C(=O)N)CC;CCc1cc(O)ccc1c2ccc3c([nH]nc3C(N)=O)c2;CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O","InChI=1S/C16H15N3O2/c1-2-9-7-11(20)4-6-12(9)10-3-5-13-14(8-10)18-19-15(13)16(17)21/h3-8,20H,2H2,1H3,(H2,17,21)(H,18,19)","","2016-10-24","2017-01-06","6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide","2017-01-11"],["KTR","(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid","C15 H13 N O3","O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3;OC(=O)[CH]1CCn2c1ccc2C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)O","InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1","Ketorolac","2012-08-30","2020-06-17","(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid","2012-09-14"],["7GZ","4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol","C22 H18 N4 O","c5c(ccc(c1ccc4c(c1)nnc4c3nc2ccccc2n3)c5CC)O;CCc1cc(O)ccc1c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2;CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O","InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)","","2016-10-24","2017-01-06","4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol","2017-01-11"],["KTU","prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid","C11 H16 O7","C=CCOC1(C(O)=O)OC(C(CO)O)=CC(C1)O;OC[CH](O)C1=C[CH](O)C[C](OCC=C)(O1)C(O)=O;C=CCOC1(CC(C=C(O1)C(CO)O)O)C(=O)O","InChI=1S/C11H16O7/c1-2-3-17-11(10(15)16)5-7(13)4-9(18-11)8(14)6-12/h2,4,7-8,12-14H,1,3,5-6H2,(H,15,16)/t7-,8+,11+/m0/s1","prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid; prop-2-en-1-yl\n3,5-dideoxy-D-threo-oct-5-en-2-ulosidonic acid; prop-2-en-1-yl 3,5-dideoxy-threo-oct-5-en-2-ulosidonic acid","2012-10-12","2020-07-17","prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid","2013-01-04"],["KTV","4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","C15 H12 N2 O3","C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3;Oc1cccc(CNc2cccc3C(=O)NC(=O)c23)c1;c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O","InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)","","2019-01-13","2019-05-03","4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","2019-05-08"],["7H0","7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide","C15 H13 Cl F3 N5 O2 S","C(=O)(C1=C(C)SC=2N1C(=O)C=C(N=2)Cn3c(Cl)cc(n3)C(F)(F)F)NCC;CCNC(=O)C1=C(C)SC2=NC(=CC(=O)N12)Cn3nc(cc3Cl)C(F)(F)F;CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C","InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)","","2016-10-24","2016-11-25","7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide","2016-11-30"],["KTW","4-chloranyl-1-benzothiophene-2-carboximidamide","C9 H7 Cl N2 S","NC(=N)c1sc2cccc(Cl)c2c1;c1cc2c(cc(s2)C(=N)N)c(c1)Cl","InChI=1S/C9H7ClN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)","","2019-06-26","2020-06-12","4-chloranyl-1-benzothiophene-2-carboximidamide","2020-06-17"],["7H1","2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide","C14 H8 F12 N2 O3","ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C14H8F12N2O3/c15-9(16,7(29)27-6-4-2-1-3-5-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(30)28-31/h1-5,31H,(H,27,29)(H,28,30)","","2016-03-24","2016-11-25","2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide","2016-11-30"],["KTY","desferrioxamine B","C25 H48 N6 O8","C(CCCNC(CCC(N(CCCCCNC(CCC(=O)N(O)CCCCCN)=O)O)=O)=O)CN(O)C(C)=O;CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN;CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O","InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)","N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydr\noxybutanediamide","2019-01-14","2022-12-02","N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydroxybutanediamide","2022-12-07"],["7H2","(1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile","C18 H13 Cl F3 N5 O","C=3C2=NC(Cn1nc(cc1Cl)C(F)(F)F)=CC(N2C(=C(C=3)C)C4CC4C#N)=O;CC1=C([CH]2C[CH]2C#N)N3C(=O)C=C(Cn4nc(cc4Cl)C(F)(F)F)N=C3C=C1;CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)C4CC4C#N","InChI=1S/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/m0/s1","","2016-10-24","2016-11-25","(1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile","2016-11-30"],["KTZ","N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C20 H19 N5","n1c3c(c(nc1N)N(C)C)c(c(c2ccccc2)n3)c4ccccc4;CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4ccccc4)c12;CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4","InChI=1S/C20H19N5/c1-25(2)19-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)22-18(16)23-20(21)24-19/h3-12H,1-2H3,(H3,21,22,23,24)","","2014-01-16","2015-01-16","N~4~,N~4~-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["7H3","N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide","C18 H16 Br F N4 O2 S","c4(Br)ccc(C(Nc3ccc(c(C12C(CSC(N)=N1)CCO2)c3)F)=O)nc4;NC1=N[C]2(OCC[CH]2CS1)c3cc(NC(=O)c4ccc(Br)cn4)ccc3F;c1cc(c(cc1NC(=O)c2ccc(cn2)Br)C34C(CCO3)CSC(=N4)N)F","InChI=1S/C18H16BrFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1","","2016-10-24","2016-11-18","N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide","2016-11-23"],["KU0","2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide","C23 H21 Cl2 N5 O6 S","c1(Cl)cncc(c1C(N4CCCC4C=3NC(C(O)=C(C(=O)NCCS(c2ccccc2)(=O)=O)N=3)=O)=O)Cl;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)cncc3Cl)C(=O)NCC[S](=O)(=O)c4ccccc4;c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)c4c(cncc4Cl)Cl)O","InChI=1S/C23H21Cl2N5O6S/c24-14-11-26-12-15(25)17(14)23(34)30-9-4-7-16(30)20-28-18(19(31)22(33)29-20)21(32)27-8-10-37(35,36)13-5-2-1-3-6-13/h1-3,5-6,11-12,16,31H,4,7-10H2,(H,27,32)(H,28,29,33)/t16-/m0/s1","","2017-06-27","2017-12-22","2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide","2017-12-27"],["7H4","1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one","C15 H21 N5 O","n3c2c(c(NC1CCC(C)N(C(=O)CC)C1)ncn2)cc3;CCC(=O)N1C[CH](CC[CH]1C)Nc2ncnc3[nH]ccc23;CCC(=O)N1CC(CCC1C)Nc2c3cc[nH]c3ncn2","InChI=1S/C15H21N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,16,17,18,19)/t10-,11+/m0/s1","","2016-10-25","2024-09-27","1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one","2016-11-09"],["7H5","(3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid","C28 H29 Cl F3 N5 O5 S","C(C5CC4(CCN(c3cc(OC(c2c(c1cccc(S(=O)(=O)C)c1)cc(cc2)Cl)C(F)(F)F)nc(N)n3)CC4)CN5)(O)=O;C[S](=O)(=O)c1cccc(c1)c2cc(Cl)ccc2[CH](Oc3cc(nc(N)n3)N4CCC5(CC4)CN[CH](C5)C(O)=O)C(F)(F)F;CS(=O)(=O)c1cccc(c1)c2cc(ccc2C(C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)CC(NC5)C(=O)O)Cl","InChI=1S/C28H29ClF3N5O5S/c1-43(40,41)18-4-2-3-16(11-18)20-12-17(29)5-6-19(20)24(28(30,31)32)42-23-13-22(35-26(33)36-23)37-9-7-27(8-10-37)14-21(25(38)39)34-15-27/h2-6,11-13,21,24,34H,7-10,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1","","2016-10-25","2017-01-20","(3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid","2017-01-25"],["KU1","N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine","C11 H9 N3 O4","C(=O)(O)CNC(=O)C=2C(c1ccccc1NN=2)=O;OC(=O)CNC(=O)C1=NNc2ccccc2C1=O;c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O","InChI=1S/C11H9N3O4/c15-8(16)5-12-11(18)9-10(17)6-3-1-2-4-7(6)13-14-9/h1-4H,5H2,(H,12,18)(H,13,17)(H,15,16)","","2019-01-14","2019-04-19","N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine","2019-04-24"],["7H6","(1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid","C15 H24 O3","C12(C(CCC1C(C)C)C(O)=O)CC(O)C(C)=CC2;CC(C)[CH]1CC[CH](C(O)=O)[C]12CC=C(C)[CH](O)C2;CC1=CCC2(CC1O)C(CCC2C(=O)O)C(C)C","InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1","","2016-10-25","2019-07-19","(1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid","2019-07-24"],["KU2","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4\n-carboxamide","C25 H25 Cl N4 O5 S","C(CSc1c(cccc1)Cl)(N4C(C=3NC(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NCCOc4ccccc4;c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)CSc4ccccc4Cl)O","InChI=1S/C25H25ClN4O5S/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1","SRI-30023","2017-06-27","2020-06-17","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","2017-12-27"],["7H7","(1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine","C21 H24 N6","CN(C)C(c1ccccc1)C(C)Nc2nn4c(c3c2cccc3)nnc4C;C[CH](Nc1nn2c(C)nnc2c3ccccc13)[CH](N(C)C)c4ccccc4;Cc1nnc2n1nc(c3c2cccc3)NC(C)C(c4ccccc4)N(C)C","InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1","","2016-10-26","2016-12-30","(1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine","2017-01-04"],["KU3","(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone","C19 H17 F N2 O3","CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4;CC(C)c1cc(c(O)c2cnoc12)C(=O)N3Cc4ccc(F)cc4C3;CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F","InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3","(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone","2017-01-10","2020-06-17","(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone","2018-01-10"],["7H8","1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one","C28 H38 N5 O2","C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[CH](C[NH2+]1)CN5CCCC5=O;CC1CN(C(C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C","InChI=1S/C28H37N5O2/c1-20-16-32(23(15-29-20)17-31-11-7-10-25(31)34)18-26(35)33-19-28(2,3)27-24(33)13-22(14-30-27)12-21-8-5-4-6-9-21/h4-6,8-9,13-14,20,23,29H,7,10-12,15-19H2,1-3H3/p+1/t20-,23-/m1/s1","","2016-10-25","2017-05-19","1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one","2017-05-24"],["KU4","2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","C26 H27 Cl N4 O5","C2(=O)C(O)=C(C(=O)NCCOc1ccccc1)N=C(N2)C3CCCN3C(CCc4c(cccc4)Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CCc3ccccc3Cl)C(=O)NCCOc4ccccc4;c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)CCc4ccccc4Cl)O","InChI=1S/C26H27ClN4O5/c27-19-10-5-4-7-17(19)12-13-21(32)31-15-6-11-20(31)24-29-22(23(33)26(35)30-24)25(34)28-14-16-36-18-8-2-1-3-9-18/h1-5,7-10,20,33H,6,11-16H2,(H,28,34)(H,29,30,35)/t20-/m0/s1","","2017-06-27","2017-12-29","2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","2018-01-03"],["7H9","1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone","C29 H41 F N5 O2","C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH](C[NH2+]1)CN5CCOC[CH]5C;CC1CN(C(C[NH2+]1)CN2CCOCC2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C","InChI=1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1","","2016-10-25","2017-05-19","1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone","2017-05-24"],["KU5","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide","C25 H25 Cl N4 O6 S2","C=2(NC(C(=C(C(=O)NCCS(c1ccccc1)(=O)=O)N=2)O)=O)C3CCCN3C(CSc4ccccc4Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NCC[S](=O)(=O)c4ccccc4;c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)CSc4ccccc4Cl)O","InChI=1S/C25H25ClN4O6S2/c26-17-9-4-5-11-19(17)37-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-38(35,36)16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1","SRI-30024","2017-07-11","2021-03-01","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide","2018-01-03"],["KU6","(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C15 H15 Cl N4 O2","Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1;Clc1ccc2OCC[CH](C(=O)Nc3nncn3C4CC4)c2c1;c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4","InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1","","2023-08-14","2023-11-03","(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7HA","N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine","C22 H21 Cl N2 O6","O=C(OC)N(CC(=O)O)Cc3cc(OCc1nc(oc1C)c2ccc(Cl)cc2)ccc3;COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)c3ccc(Cl)cc3)c1;Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC","InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)","","2009-10-28","2011-06-04","N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine",""],["KU7","2-{(2S)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","C25 H25 F N4 O6","C=2(NC(C(=C(C(=O)NCCOc1ccccc1)N=2)O)=O)C3CCCN3C(COc4c(cccc4)F)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)COc3ccccc3F)C(=O)NCCOc4ccccc4;c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)COc4ccccc4F)O","InChI=1S/C25H25FN4O6/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1","","2017-06-27","2018-04-27","2-{(2S)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide","2018-05-02"],["7HC","(2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","C29 H34 Cl2 F N3 O3","O=C5C3(C(c1c(F)c(ccc1)Cl)C(C(NC2CCC(O)CC2)=O)NC3CC(C)(C)C)c4c(cc(cc4)Cl)N5;CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]13C(=O)Nc4cc(Cl)ccc34)C(=O)N[CH]5CC[CH](O)CC5;CC(C)(C)CC1C2(c3ccc(cc3NC2=O)Cl)C(C(N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl","InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1","","2016-10-27","2016-11-04","(2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide","2016-11-09"],["7HD","3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole","C19 H17 Cl N8 O","Cn1cc(c(C)n1)c2[nH]c3c(ncc(Cl)c3c4cnn(Cc5cc(C)on5)c4)n2;Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl","InChI=1S/C19H17ClN8O/c1-10-4-13(26-29-10)8-28-7-12(5-22-28)16-15(20)6-21-19-17(16)23-18(24-19)14-9-27(3)25-11(14)2/h4-7,9H,8H2,1-3H3,(H,21,23,24)","","2015-07-24","2015-08-28","3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole","2015-09-02"],["KU8","4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one","C21 H21 F N4 O2","O=C(N1CCNCCC1)c2cc(ccc2F)CC4=NNC(=O)c3ccccc34;Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCCNCC4;c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F","InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)","","2008-01-31","2011-06-04","4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one",""],["7HE","7-METHYL-7-DEPROPIONATEHEMIN","C32 H30 Fe N4 O2","O=C(O)CCC1=C(C2=Cc5c(C=C)c(c6C=C8C(C=C)=C(C7=Cc4c(c(c3C=C1N2[Fe](n34)(n56)N78)C)C)C)C)C;Cc1c(C)c2C=C3[N]4C(=Cc5n6c(C=C7[N]8C(=Cc1n2[Fe]468)C(=C7C=C)C)c(C)c5C=C)C(=C3CCC(O)=O)C;Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C","InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-24-16(3)17(4)25(33-24)13-31-23(10-11-32(37)38)20(7)28(36-31)15-30-22(9-2)19(6)27(35-30)14-29(21)34-26;/h8-9,12-15H,1-2,10-11H2,3-7H3,(H,37,38);/q-4;+4/b24-12-,25-13-,26-12-,27-14-,28-15-,29-14-,30-15-,31-13-;","","2007-03-29","2012-01-05","[3-(7,12-diethenyl-3,8,13,17,18-pentamethyl-22,24-dihydroporphyrin-2-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)propanoato(4-)]iron",""],["KU9","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide","C26 H25 Cl N4 O4 S","C3(=O)C(O)=C(C(=O)NC2Cc1ccccc1C2)N=C(N3)C4CCCN4C(CSc5c(cccc5)Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NC4Cc5ccccc5C4;c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)CSc5ccccc5Cl)O","InChI=1S/C26H25ClN4O4S/c27-18-8-3-4-10-20(18)36-14-21(32)31-11-5-9-19(31)24-29-22(23(33)26(35)30-24)25(34)28-17-12-15-6-1-2-7-16(15)13-17/h1-4,6-8,10,17,19,33H,5,9,11-14H2,(H,28,34)(H,29,30,35)/t19-/m0/s1","","2017-06-27","2017-12-29","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2018-01-03"],["KUA","{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone","C22 H21 N3 O4","C1N(CCN(C1)C(c4ccc(c3nc2c(cccc2)o3)cc4)=O)C(C5(CC5)O)=O;OC1(CC1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)c4oc5ccccc5n4;c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O","InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2","","2019-01-15","2019-02-15","{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone","2019-02-20"],["7HF","1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea","C26 H31 F2 N5 O3","CCOc1nn(c2ccccc2)c(NC(=O)N[CH]3CN(CCOC)C[CH]3c4ccc(F)c(F)c4)c1C;CCOc1c(c(n(n1)c2ccccc2)NC(=O)NC3CN(CC3c4ccc(c(c4)F)F)CCOC)C","InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1","","2016-10-31","2017-02-17","1-[(3~{S},4~{R})-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea","2017-02-22"],["KUB","4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide","C17 H13 Cl F3 N3 O2 S2","C[CH](Nc1cc(F)c(cc1Cl)[S](=O)(=O)Nc2cscn2)c3cc(F)ccc3F;CC(c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F","InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1","","2019-06-26","2019-09-27","4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide","2019-10-02"],["7HG","3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone","C34 H50 N4 O8","C2(C)C(NC(C(C)C)C(NC(C(N1CCCC(N1)C(OCCC=CC=CC(C(C2OC)C)OC)=O)=O)Cc3cc(ccc3)O)=O)=O;CO[CH]1C=CC=CCCOC(=O)[CH]2CCC[N](N2)C(=O)[CH](Cc3cccc(O)c3)NC(=O)[CH](NC(=O)[CH](C)[CH](OC)[CH]1C)C(C)C;CC1C(C=CC=CCCOC(=O)C2CCCN(N2)C(=O)C(NC(=O)C(NC(=O)C(C1OC)C)C(C)C)Cc3cccc(c3)O)OC","InChI=1S/C34H50N4O8/c1-21(2)29-32(41)35-27(20-24-13-11-14-25(39)19-24)33(42)38-17-12-15-26(37-38)34(43)46-18-10-8-7-9-16-28(44-5)22(3)30(45-6)23(4)31(40)36-29/h7-9,11,13-14,16,19,21-23,26-30,37,39H,10,12,15,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/b8-7+,16-9+/t22-,23+,26-,27-,28-,29-,30+/m0/s1","","2016-09-12","2017-01-20","(3S,6S,9R,10R,11S,12S,13E,15E,21S)-3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone","2017-01-25"],["KUC","[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone","C24 H14 F2 N2 O3","c3(C(=O)n1cc2c(c1)ccc(c2)F)c(O)ccc(c3)C(n4cc5c(c4)c(ccc5)F)=O;Oc1ccc(cc1C(=O)n2cc3ccc(F)cc3c2)C(=O)n4cc5cccc(F)c5c4;c1cc2cn(cc2c(c1)F)C(=O)c3ccc(c(c3)C(=O)n4cc5ccc(cc5c4)F)O","InChI=1S/C24H14F2N2O3/c25-18-6-4-15-10-27(12-17(15)8-18)24(31)19-9-14(5-7-22(19)29)23(30)28-11-16-2-1-3-21(26)20(16)13-28/h1-13,29H","","2020-05-18","2023-08-11","[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone","2023-08-16"],["7HH","N-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine","C23 H19 Cl N2 O5","N(CC(O)=O)C(c1ccc(c(c1)NC(=O)c2ccccc2)OCc3ccc(cc3)Cl)=O;OC(=O)CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c3ccccc3)c1;c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O","InChI=1S/C23H19ClN2O5/c24-18-9-6-15(7-10-18)14-31-20-11-8-17(22(29)25-13-21(27)28)12-19(20)26-23(30)16-4-2-1-3-5-16/h1-12H,13-14H2,(H,25,29)(H,26,30)(H,27,28)","","2016-10-28","2016-11-25","N-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine","2016-11-30"],["KUD","[(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid","C14 H16 O3","C2CCC(C(=O)c1ccccc1)C2CC(O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2;c1ccc(cc1)C(=O)C2CCCC2CC(=O)O","InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m0/s1","","2019-01-16","2020-01-17","[(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid","2020-01-22"],["7HI","(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid","C31 H38 N2 O5","O=C(O)CC(O)CC(O)CCn1c(c(c2c1CCCCC2)C(=O)Nc4ccc(c3ccccc3)cc4)CC;CCc1n(CC[CH](O)C[CH](O)CC(O)=O)c2CCCCCc2c1C(=O)Nc3ccc(cc3)c4ccccc4;CCc1c(c2c(n1CCC(CC(CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4","InChI=1S/C31H38N2O5/c1-2-27-30(31(38)32-23-15-13-22(14-16-23)21-9-5-3-6-10-21)26-11-7-4-8-12-28(26)33(27)18-17-24(34)19-25(35)20-29(36)37/h3,5-6,9-10,13-16,24-25,34-35H,2,4,7-8,11-12,17-20H2,1H3,(H,32,38)(H,36,37)/t24-,25-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid",""],["7HJ","N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide","C37 H39 F N4 O4","C([C@H]=Cc1ccccc1)(=O)NC(C(=O)NC(Cc2ccc(cc2)F)C(=O)NCc3c4c(ccc3)cccc4)CC(=O)N(CC)CC;CCN(CC)C(=O)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](Cc2ccc(F)cc2)C(=O)NCc3cccc4ccccc34;CCN(CC)C(=O)CC(C(=O)NC(Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)C=Cc4ccccc4","InChI=1S/C37H39FN4O4/c1-3-42(4-2)35(44)24-33(40-34(43)22-19-26-11-6-5-7-12-26)37(46)41-32(23-27-17-20-30(38)21-18-27)36(45)39-25-29-15-10-14-28-13-8-9-16-31(28)29/h5-22,32-33H,3-4,23-25H2,1-2H3,(H,39,45)(H,40,43)(H,41,46)/b22-19+/t32-,33-/m0/s1","","2016-10-28","2017-01-06","N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide","2017-01-11"],["KUE","~{N}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","C24 H28 N4 O5 S","COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)N4CCCCCCC4;COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4","InChI=1S/C24H28N4O5S/c1-33-22-12-11-17(34(31,32)28-13-7-3-2-4-8-14-28)15-21(22)25-23(29)16-20-18-9-5-6-10-19(18)24(30)27-26-20/h5-6,9-12,15H,2-4,7-8,13-14,16H2,1H3,(H,25,29)(H,27,30)","","2019-06-26","2019-09-20","~{N}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","2019-09-25"],["KUF","7-METHYL-2H-ISOQUINOLIN-1-ONE","C10 H9 N O","Cc1ccc2C=CNC(=O)c2c1;Cc1ccc2c(c1)C(=O)NC=C2","InChI=1S/C10H9NO/c1-7-2-3-8-4-5-11-10(12)9(8)6-7/h2-6H,1H3,(H,11,12)","","2015-03-08","2015-05-08","7-methyl-2H-isoquinolin-1-one","2015-05-13"],["7HK","methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate","C21 H18 N4 O3","O=C(OC)Cc4cc1c(Nc3c(C(=O)N1)ccc(Nc2ccncc2)c3)cc4;COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1;COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4","InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27)","","2012-07-06","2012-08-17","methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate",""],["7HL","2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid","C21 H16 Cl N O4","c3c(C(Nc1c(cccc1OCc2ccc(cc2)Cl)C(=O)O)=O)cccc3;OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1NC(=O)c3ccccc3;c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O","InChI=1S/C21H16ClNO4/c22-16-11-9-14(10-12-16)13-27-18-8-4-7-17(21(25)26)19(18)23-20(24)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24)(H,25,26)","","2016-10-28","2016-11-25","2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid","2016-11-30"],["KUG","[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid","C14 H16 O3","C2CCC(C(c1ccccc1)=O)C2CC(O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2;c1ccc(cc1)C(=O)C2CCCC2CC(=O)O","InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m1/s1","","2019-01-16","2020-01-17","[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid","2020-01-22"],["7HM","3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid","C22 H16 Cl N O4","C(Oc1c(c(ccc1)C(O)=O)N2Cc3c(C2=O)cccc3)c4ccc(cc4)Cl;OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1N3Cc4ccccc4C3=O;c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O","InChI=1S/C22H16ClNO4/c23-16-10-8-14(9-11-16)13-28-19-7-3-6-18(22(26)27)20(19)24-12-15-4-1-2-5-17(15)21(24)25/h1-11H,12-13H2,(H,26,27)","","2016-10-28","2016-11-25","3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid","2016-11-30"],["KUH","~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","C22 H29 N3 O5 S","CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1;CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC","InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)15-11-12-19(30-4)17(13-15)24-22(27)21-16-9-7-8-10-18(26)20(16)14(3)23-21/h11-13,23H,5-10H2,1-4H3,(H,24,27)","","2019-06-27","2020-12-04","~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide","2020-12-09"],["KUI","ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate","C16 H12 F3 N3 O3","FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c2N1)C(=O)OCC;CCOC(=O)c1cnn2C(=O)C=C(Nc12)c3ccc(cc3)C(F)(F)F;CCOC(=O)c1cnn2c1NC(=CC2=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C16H12F3N3O3/c1-2-25-15(24)11-8-20-22-13(23)7-12(21-14(11)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,21H,2H2,1H3","","2022-02-15","2023-04-28","ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate","2023-05-03"],["7HN","3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID","C14 H7 F5 O4","O=C(O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F;OC(=O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F;c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O","InChI=1S/C14H7F5O4/c15-8-6(9(16)11(18)12(19)10(8)17)3-5-4(14(22)23)1-2-7(20)13(5)21/h1-2,20-21H,3H2,(H,22,23)","","2014-09-18","2016-01-08","3,4-dihydroxy-2-(pentafluorobenzyl)benzoic acid","2016-01-13"],["7HO","2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid","C23 H18 Cl N O7","C(Oc1c(c(ccc1)C(=O)O)NC(=O)c2ccccc2OCC(O)=O)c3ccc(cc3)Cl;OC(=O)COc1ccccc1C(=O)Nc2c(OCc3ccc(Cl)cc3)cccc2C(O)=O;c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O","InChI=1S/C23H18ClNO7/c24-15-10-8-14(9-11-15)12-31-19-7-3-5-17(23(29)30)21(19)25-22(28)16-4-1-2-6-18(16)32-13-20(26)27/h1-11H,12-13H2,(H,25,28)(H,26,27)(H,29,30)","","2016-10-28","2016-11-25","2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid","2016-11-30"],["KUJ","(3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione","C35 H54 O8","C(C(=C/C(C)CCC([C@H]=[C@H]C(C)C1C(CC(O1)C(C)OC)C)O)C3C2CCCC(C)C2C(C)/C(O3)=C4/C(=O)COC4=O)O;CO[CH](C)[CH]1C[CH](C)[CH](O1)[CH](C)C=C[CH](O)CC[CH](C)C=C(CO)[CH]2OC([CH](C)[CH]3[CH](C)CCC[CH]23)=C4C(=O)COC4=O;CC1CCCC2C1C(C(=C3C(=O)COC3=O)OC2C(=CC(C)CCC(C=CC(C)C4C(CC(O4)C(C)OC)C)O)CO)C","InChI=1S/C35H54O8/c1-19(11-13-26(37)14-12-21(3)32-22(4)16-29(42-32)24(6)40-7)15-25(17-36)34-27-10-8-9-20(2)30(27)23(5)33(43-34)31-28(38)18-41-35(31)39/h12,14-15,19-24,26-27,29-30,32,34,36-37H,8-11,13,16-18H2,1-7H3/b14-12+,25-15+,33-31+/t19-,20-,21+,22+,23+,24+,26+,27+,29-,30-,32+,34-/m1/s1","","2019-01-16","2019-10-18","(3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione","2019-10-23"],["7HP","7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE","C5 H4 N4 O","n1c(O)c2c(nc1)cnn2;Oc1ncnc2cn[nH]c12;c1c2c(c(ncn2)O)[nH]n1","InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)","","1999-12-15","2011-06-04","1H-pyrazolo[4,3-d]pyrimidin-7-ol",""],["KUK","(2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid","C16 H18 N12 O5","NC1=NC(=O)[CH](NC(=O)Nc2ccc(nc2)C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=N1)N;c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)NC(CCc3[nH]nnn3)C(=O)O","InChI=1S/C16H18N12O5/c17-11-10(13(30)24-15(18)23-11)22-16(33)20-6-1-2-7(19-5-6)12(29)21-8(14(31)32)3-4-9-25-27-28-26-9/h1-2,5,8,10H,3-4H2,(H,21,29)(H,31,32)(H2,20,22,33)(H,25,26,27,28)(H4,17,18,23,24,30)/t8-,10-/m0/s1","TH9028","2019-06-27","2021-07-02","(2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid","2021-07-07"],["KUL","1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione","C11 H10 F N O4 S","C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O;CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F","InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3","1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of)","2022-06-07","2024-09-27","1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione","2023-06-14"],["7HQ","benzimidazol-1-ylmethanol","C8 H8 N2 O","OCn1cnc2ccccc12;c1ccc2c(c1)ncn2CO","InChI=1S/C8H8N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-5,11H,6H2","","2016-11-01","2016-12-09","benzimidazol-1-ylmethanol","2016-12-14"],["KUM","[2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone","C21 H19 N3 O4","c1(c(c(OC)cc(c1)C(=O)c2cnc(n2)c4c3ccccc3nc4)OC)OC;COc1cc(cc(OC)c1OC)C(=O)c2[nH]c(nc2)c3c[nH]c4ccccc34;COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4","InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)","","2018-01-17","2019-07-05","[2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone","2019-07-10"],["7HR","~{N}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{N}-methyl-1,3-thiazol-2-amine","C29 H37 F N6 O2 S2","CCc1nc2ccc(cn2c1N(C)c3scc(n3)c4ccc(F)cc4)C5CCN(CC5)[S](=O)(=O)CCCN(C)C;CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F","InChI=1S/C29H37FN6O2S2/c1-5-25-28(34(4)29-32-26(20-39-29)22-7-10-24(30)11-8-22)36-19-23(9-12-27(36)31-25)21-13-16-35(17-14-21)40(37,38)18-6-15-33(2)3/h7-12,19-21H,5-6,13-18H2,1-4H3","","2016-10-28","2017-08-25","~{N}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{N}-methyl-1,3-thiazol-2-amine","2017-08-30"],["KUN","(E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid","C17 H18 F N7 O7","NC1=NC(=O)C(=C(N)N1)CC(=O)Nc2cnc(c(F)c2)C(=O)N[CH](CCC(O)=O)C(O)=O;c1c(cnc(c1F)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CC2=C(NC(=NC2=O)N)N","InChI=1S/C17H18FN7O7/c18-8-3-6(22-10(26)4-7-13(19)24-17(20)25-14(7)29)5-21-12(8)15(30)23-9(16(31)32)1-2-11(27)28/h3,5,9H,1-2,4H2,(H,22,26)(H,23,30)(H,27,28)(H,31,32)(H5,19,20,24,25,29)/t9-/m0/s1","TH9619","2019-06-27","2023-04-04","(2~{S})-2-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1~{H}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pentanedioic acid","2021-07-07"],["7HS","(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide","C14 H28 N6 O3","CC(=O)N[CH](CCCCN)C(=O)N[CH](CCCNC(N)=N)C=O;CC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C=O","InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1","","2016-12-05","2024-09-27","(2~{S})-2-acetamido-6-azanyl-~{N}-[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]hexanamide","2017-06-14"],["KUO","2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid","C32 H42 Cl N3 O6","COc1ccccc1[CH]2OCCCN(CC(=O)N(CC(C)(C)C)c3ccc(Cl)cc23)C(=O)N4CCC(CC4)CC(O)=O;CC(C)(C)CN1c2ccc(cc2C(OCCCN(CC1=O)C(=O)N3CCC(CC3)CC(=O)O)c4ccccc4OC)Cl","InChI=1S/C32H42ClN3O6/c1-32(2,3)21-36-26-11-10-23(33)19-25(26)30(24-8-5-6-9-27(24)41-4)42-17-7-14-35(20-28(36)37)31(40)34-15-12-22(13-16-34)18-29(38)39/h5-6,8-11,19,22,30H,7,12-18,20-21H2,1-4H3,(H,38,39)/t30-/m1/s1","","2022-10-17","2024-05-17","2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid","2024-05-22"],["7HT","1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone","C28 H37 N6 O","C[CH]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[CH](C[NH2+]1)Cn5cc(C)cn5;Cc1cnn(c1)CC2C[NH2+]C(CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C","InChI=1S/C28H36N6O/c1-20-12-31-33(15-20)17-24-13-29-21(2)16-32(24)18-27(35)34-19-28(3,4)25-14-30-23(11-26(25)34)10-22-8-6-5-7-9-22/h5-9,11-12,14-15,21,24,29H,10,13,16-19H2,1-4H3/p+1/t21-,24-/m1/s1","","2016-11-01","2017-06-21","1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone","2017-05-24"],["7HU","1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone","C25 H35 N4 O2","COC[CH]1C[NH2+][CH](C)CN1CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23;CC1CN(C(C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C","InChI=1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/p+1/t18-,21-/m1/s1","","2016-11-01","2017-05-19","1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone","2017-05-24"],["KUP","5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine","C13 H16 N4 O2","Nc2ncc(Cc1ccc(c(OC)c1)OC)c(n2)N;COc1ccc(Cc2cnc(N)nc2N)cc1OC;COc1ccc(cc1OC)Cc2cnc(nc2N)N","InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)","","2019-01-16","2019-07-12","5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine","2019-07-17"],["7HV","2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid","C9 H11 Cl2 N O3 S","Clc1ccc(cc1Cl)CNCCS(=O)(=O)O;O[S](=O)(=O)CCNCc1ccc(Cl)c(Cl)c1;c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl","InChI=1S/C9H11Cl2NO3S/c10-8-2-1-7(5-9(8)11)6-12-3-4-16(13,14)15/h1-2,5,12H,3-4,6H2,(H,13,14,15)","","2012-07-02","2012-10-26","2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid","2012-10-26"],["KUQ","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol","C15 H18 N2 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccccc3;c1ccc(cc1)c2[nH]cc(n2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)9-6-16-15(17-9)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1","","2019-06-28","2020-02-14","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol","2020-02-19"],["KUR","(8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one","C28 H29 F N6 O2","FCC1CN(C1)C(=O)c1c2NC(=CC(=O)n2nc1c1nccnc1C)c1ccc(cc1)C1CCCCC1;Cc1nccnc1c2nn3C(=O)C=C(Nc3c2C(=O)N4CC(CF)C4)c5ccc(cc5)C6CCCCC6;Cc1c(nccn1)c2c(c3n(n2)C(=O)C=C(N3)c4ccc(cc4)C5CCCCC5)C(=O)N6CC(C6)CF","InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,32H,2-6,14-16H2,1H3","","2022-02-15","2023-04-28","(8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one","2023-05-03"],["7HW","(4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid","C22 H34 O4","CCC(C(O)C[C@H]=CC/C=CC[C@H]=[C@H]C[C@H]=[C@H]C[C@H]=CCCC(=O)O)O;CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCC=CCCC(O)=O;CCC(C(CC=CCC=CCC=CCC=CCC=CCCC(=O)O)O)O","InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7?,10-8-,15-13-,16-14-/t20-,21-/m1/s1","","2016-10-30","2024-09-27","(4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid","2017-10-11"],["7HX","7H-pyrrolo[2,3-d]pyrimidin-4-ol","C6 H5 N3 O","Oc1c2c(ncn1)ncc2;Oc1ncnc2[nH]ccc12;c1c[nH]c2c1c(ncn2)O","InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)","","2016-03-18","2017-03-31","7H-pyrrolo[2,3-d]pyrimidin-4-ol","2017-04-05"],["KUS","(Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide","C10 H8 Cl N O2","Clc1ccc(NC(=O)C=CC=O)cc1;c1cc(ccc1NC(=O)C=CC=O)Cl","InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1-","N1-(4-chlorophenyl)-2-butenediamide (reacted form of)","2022-06-07","2024-09-27","(~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide","2023-06-14"],["KUT","KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]","C35 H63 N3 O12","OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O;C(CCCCCCCCC(=O)O)CCCCCCCC(=O)NC(CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O","InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1","","2019-06-28","2024-09-27","18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid","2020-07-15"],["7HY","N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide","C31 H38 N4 O4","C(=O)(CCc1ccccc1)NC(C(=O)NC(C)C(=O)NCc2c3c(ccc2)cccc3)CC(=O)N(CC)CC;CCN(CC)C(=O)C[CH](NC(=O)CCc1ccccc1)C(=O)N[CH](C)C(=O)NCc2cccc3ccccc23;CCN(CC)C(=O)CC(C(=O)NC(C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3","InChI=1S/C31H38N4O4/c1-4-35(5-2)29(37)20-27(34-28(36)19-18-23-12-7-6-8-13-23)31(39)33-22(3)30(38)32-21-25-16-11-15-24-14-9-10-17-26(24)25/h6-17,22,27H,4-5,18-21H2,1-3H3,(H,32,38)(H,33,39)(H,34,36)/t22-,27-/m0/s1","","2016-10-31","2017-01-06","N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide","2017-01-11"],["KUU","(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide","C17 H19 Cl N2 O","O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C;CC(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(C)C","InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1","","2023-08-14","2023-11-03","(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide","2023-11-08"],["7HZ","N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide","C28 H35 N5 O7","c1c(onc1C(=O)NC(C(=O)NC(COC)C(=O)NCc2c3c(ccc2)cccc3)CC(NOC(C)(C)C)=O)C;COC[CH](NC(=O)[CH](CC(=O)NOC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc2cccc3ccccc23;Cc1cc(no1)C(=O)NC(CC(=O)NOC(C)(C)C)C(=O)NC(COC)C(=O)NCc2cccc3c2cccc3","InChI=1S/C28H35N5O7/c1-17-13-22(32-39-17)27(37)30-21(14-24(34)33-40-28(2,3)4)26(36)31-23(16-38-5)25(35)29-15-19-11-8-10-18-9-6-7-12-20(18)19/h6-13,21,23H,14-16H2,1-5H3,(H,29,35)(H,30,37)(H,31,36)(H,33,34)/t21-,23-/m0/s1","","2016-10-31","2017-01-06","N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide","2017-01-11"],["KUV","5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide","C20 H22 F3 N7 O S","n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C(F)CC4)N)C;Cn1ncc(NC(=O)c2nc(sc2N)c3c(F)cccc3F)c1N4CC[CH](N)[CH](F)CC4;Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC(C(CC4)F)N","InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1","","2019-01-16","2019-02-22","5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide","2019-02-27"],["7I0","(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid","C26 H20 Cl F N2 O2","O=C(O)/C=C/c1ccc(cc1)C(/c1cc2c[NH]nc2cc1)=C(/CC)c1ccc(F)cc1Cl;CCC(c1ccc(F)cc1Cl)=C(c2ccc(C=CC(O)=O)cc2)c3ccc4n[nH]cc4c3;CCC(=C(c1ccc(cc1)C=CC(=O)O)c2ccc3c(c2)c[nH]n3)c4ccc(cc4Cl)F","InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+","","2021-08-11","2021-09-03","(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid","2021-09-08"],["7I1","3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide","C26 H26 N2 O3","O=C(NCc2c1ccccc1ccc2)c5oc4cccc(OC3CCNCC3)c4c5C;Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)NCc4cccc5ccccc45;Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5","InChI=1S/C26H26N2O3/c1-17-24-22(30-20-12-14-27-15-13-20)10-5-11-23(24)31-25(17)26(29)28-16-19-8-4-7-18-6-2-3-9-21(18)19/h2-11,20,27H,12-16H2,1H3,(H,28,29)","","2012-07-06","2014-09-05","3-methyl-N-(naphthalen-1-ylmethyl)-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxamide","2012-10-12"],["KUW","2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid","C24 H27 Cl N4 O5 S","CC(C)N1C(=O)C(=C(c2ccccc2)[S]1(=O)=O)NC3CCN(CC3)c4ncc(CC(O)=O)cc4Cl;CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl","InChI=1S/C24H27ClN4O5S/c1-15(2)29-24(32)21(22(35(29,33)34)17-6-4-3-5-7-17)27-18-8-10-28(11-9-18)23-19(25)12-16(14-26-23)13-20(30)31/h3-7,12,14-15,18,27H,8-11,13H2,1-2H3,(H,30,31)","","2019-06-28","2019-11-22","2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid","2019-11-27"],["7I2","7-NITROINDAZOLE-2-CARBOXAMIDINE","C8 H7 N5 O2","[O-][N+](=O)c2cccc1c2nn(c1)C(=[N@H])N;NC(=N)n1cc2cccc(c2n1)[N+]([O-])=O;c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N","InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)","","2000-09-05","2011-06-04","7-nitro-2H-indazole-2-carboximidamide",""],["KUX","5'-O-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosine","C18 H17 N7 O8 S","N#Cc1ccc(c(O)c1)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4ccc(cc4O)C#N)[CH](O)[CH]3O;c1cc(c(cc1C#N)O)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H17N7O8S/c19-4-8-1-2-9(10(26)3-8)17(29)24-34(30,31)32-5-11-13(27)14(28)18(33-11)25-7-23-12-15(20)21-6-22-16(12)25/h1-3,6-7,11,13-14,18,26-28H,5H2,(H,24,29)(H2,20,21,22)/t11-,13-,14-,18-/m1/s1","","2022-02-16","2022-05-13","5'-O-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosine","2022-05-18"],["7I3","(Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid","C8 H14 O4","CC(C)CCC(O)=C(O)C(O)=O;CC(C)CCC(=C(C(=O)O)O)O","InChI=1S/C8H14O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5,9-10H,3-4H2,1-2H3,(H,11,12)/b7-6-","(Z)-2,3-dihydroxy-6-methyl-hept-2-enoate","2021-08-04","2022-08-05","(~{Z})-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid","2022-08-10"],["KUY","5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide","C20 H23 F2 N7 O S","n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(CCC4)N)C;Cn1ncc(NC(=O)c2nc(sc2N)c3c(F)cccc3F)c1N4CCC[CH](N)CC4;Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCCC(CC4)N","InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m0/s1","","2019-01-17","2019-11-22","5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide","2019-11-27"],["7I4","1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid","C23 H24 F N3 O3","CC(C)Cc1ccc(cc1)c2onc(n2)c3ccc(CN4CC(C4)C(O)=O)c(F)c3;CC(C)Cc1ccc(cc1)c2nc(no2)c3ccc(c(c3)F)CN4CC(C4)C(=O)O","InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)","","2021-10-01","2022-09-23","1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid","2022-09-28"],["KV0","4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid","C11 H6 F I2 N O3","OC(=O)c1cc(I)c(n2ccc(F)c2)c(I)c1O;c1cn(cc1F)c2c(cc(c(c2I)O)C(=O)O)I","InChI=1S/C11H6FI2NO3/c12-5-1-2-15(4-5)9-7(13)3-6(11(17)18)10(16)8(9)14/h1-4,16H,(H,17,18)","","2022-06-07","2022-11-25","4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid","2022-11-30"],["7I5","(2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid","C29 H24 F3 N O7 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(/C=C/C(=O)O)cc1;OC(=O)C=Cc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;c1cc(ccc1C=CC(=O)O)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C29H24F3NO7S/c30-29(31,32)16-33(20-8-1-17(2-9-20)3-14-25(36)37)41(38,39)24-15-23-26(18-4-10-21(34)11-5-18)27(28(24)40-23)19-6-12-22(35)13-7-19/h1-14,23-24,28,34-35H,15-16H2,(H,36,37)/b14-3+/t23-,24+,28+/m0/s1","","2021-08-11","2021-09-03","(2E)-3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid","2021-09-08"],["KV1","N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide","C23 H27 N5 O4","O=C(NCC)C4N(C(=O)c1c2ccccc2oc1)CC(NC(=O)c3cc(nn3C)CC)C4;CCNC(=O)[CH]1C[CH](CN1C(=O)c2coc3ccccc23)NC(=O)c4cc(CC)nn4C;CCc1cc(n(n1)C)C(=O)NC2CC(N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC","InChI=1S/C23H27N5O4/c1-4-14-10-18(27(3)26-14)22(30)25-15-11-19(21(29)24-5-2)28(12-15)23(31)17-13-32-20-9-7-6-8-16(17)20/h6-10,13,15,19H,4-5,11-12H2,1-3H3,(H,24,29)(H,25,30)/t15-,19+/m1/s1","","2014-01-29","2014-02-07","(4R)-1-(1-benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide","2014-02-12"],["7I6","1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea","C24 H32 N4 O2 S2","O=C(N2C(c1c(SC)cccc1)CCC2)C(NC(=O)NCc3ccc(N)cc3)CCSC;CSCC[CH](NC(=O)NCc1ccc(N)cc1)C(=O)N2CCC[CH]2c3ccccc3SC;CSCCC(C(=O)N1CCCC1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N","InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21+/m0/s1","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea","2014-02-19"],["KV3","(1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid","C31 H39 Cl N2 O6","COc1ccccc1[CH]2OCCN([CH]3CCC[CH](C3)C(O)=O)C(=O)CC(=O)N(CC(C)(C)C)c4ccc(Cl)cc24;CC(C)(C)CN1c2ccc(cc2C(OCCN(C(=O)CC1=O)C3CCCC(C3)C(=O)O)c4ccccc4OC)Cl","InChI=1S/C31H39ClN2O6/c1-31(2,3)19-34-25-13-12-21(32)17-24(25)29(23-10-5-6-11-26(23)39-4)40-15-14-33(27(35)18-28(34)36)22-9-7-8-20(16-22)30(37)38/h5-6,10-13,17,20,22,29H,7-9,14-16,18-19H2,1-4H3,(H,37,38)/t20-,22+,29+/m0/s1","","2022-10-17","2024-05-17","(1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid","2024-05-22"],["KV4","5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine","C27 H31 Cl N6 O3 S","C1(OC(C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc4ccc(cc4)c5ccc(cc5)Cl;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCCNCc4ccc(cc4)c5ccc(Cl)cc5)[CH](O)[CH]3O;c1cc(ccc1CNCCCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl","InChI=1S/C27H31ClN6O3S/c28-20-9-7-19(8-10-20)18-5-3-17(4-6-18)13-30-11-1-2-12-38-14-21-23(35)24(36)27(37-21)34-16-33-22-25(29)31-15-32-26(22)34/h3-10,15-16,21,23-24,27,30,35-36H,1-2,11-14H2,(H2,29,31,32)/t21-,23-,24-,27-/m1/s1","SGC8158","2019-01-18","2020-06-17","5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine","2019-01-30"],["7I7","N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide","C12 H24 N2 O5 S","SCCC(=O)NCCOCCOCCOCCNC=O;C(CS)C(=O)NCCOCCOCCOCCNC=O","InChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16)","","2021-08-05","2024-08-29","~{N}-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide","2022-07-13"],["KV5","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol","C19 H20 N2 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3[nH]cc(n3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C19H20N2O5/c22-9-14-15(23)16(24)17(25)18(26-14)13-8-20-19(21-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2,(H,20,21)/t14-,15-,16+,17-,18+/m1/s1","","2019-06-29","2020-02-14","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol","2020-02-19"],["7I8","DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate","C7 H18 O18 P4","O[CH]1[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C(C1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C7H18O18P4/c8-3-2(1-22-26(10,11)12)5(23-27(13,14)15)7(25-29(19,20)21)4(9)6(3)24-28(16,17)18/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)/t2-,3-,4-,5+,6+,7+/m0/s1","[(1R,2S,3R,4S,5S,6R)-2,4-bis(oxidanyl)-3,6-diphosphonooxy-5-(phosphonooxymethyl)cyclohexyl] dihydrogen phosphate","2023-07-12","2024-02-23","[(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-2,4-bis(oxidanyl)-3,6-diphosphonooxy-5-(phosphonooxymethyl)cyclohexyl] dihydrogen phosphate","2024-02-28"],["KV6","(3R)-3-aminoheptadecanoic acid","C17 H35 N O2","NC(CCCCCCCCCCCCCC)CC(=O)O;CCCCCCCCCCCCCC[CH](N)CC(O)=O;CCCCCCCCCCCCCCC(CC(=O)O)N","InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1","N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl\n)-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl\n]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide","2022-02-16","2024-09-27","(3R)-3-aminoheptadecanoic acid","2023-03-01"],["7I9","(1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide","C36 H41 F3 N2 O6 S","O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1;COc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(OCCCCN6CCCCC6)cc5;COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O","InChI=1S/C36H41F3N2O6S/c1-45-29-17-11-27(12-18-29)41(24-36(37,38)39)48(43,44)32-23-31-33(25-7-13-28(42)14-8-25)34(35(32)47-31)26-9-15-30(16-10-26)46-22-6-5-21-40-19-3-2-4-20-40/h7-18,31-32,35,42H,2-6,19-24H2,1H3/t31-,32+,35+/m1/s1","","2021-08-11","2021-09-03","(1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[4-(piperidin-1-yl)butoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2021-09-08"],["7IA","[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid","C12 H10 N2 O3 S","C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(=O)O;OC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2;c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O","InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15)","","2016-03-16","2017-03-24","[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid","2017-03-29"],["KV9","7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide","C26 H23 N3 O6 S","O1CCOc2c1cc(cc2C(=O)NCc3cnccc3)c4c5OC(=CC(=O)c5sc4)N6CCOCC6;O=C(NCc1cccnc1)c2cc(cc3OCCOc23)c4csc5C(=O)C=C(Oc45)N6CCOCC6;c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6","InChI=1S/C26H23N3O6S/c30-20-12-22(29-4-6-32-7-5-29)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(31)28-14-16-2-1-3-27-13-16/h1-3,10-13,15H,4-9,14H2,(H,28,31)","","2020-06-01","2020-07-31","7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide","2020-08-05"],["7IB","8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid","C14 H14 N2 O4","Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O;c1cc(c2c(c1CCCC(=O)O)ccc(n2)C(=O)O)N","InChI=1S/C14H14N2O4/c15-10-6-4-8(2-1-3-12(17)18)9-5-7-11(14(19)20)16-13(9)10/h4-7H,1-3,15H2,(H,17,18)(H,19,20)","","2021-08-05","2024-09-27","8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid","2022-07-13"],["KVA","4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid","C11 H5 F2 I2 N O3","OC(=O)c1cc(I)c(n2cc(F)c(F)c2)c(I)c1O;c1c(c(c(c(c1I)n2cc(c(c2)F)F)I)O)C(=O)O","InChI=1S/C11H5F2I2NO3/c12-5-2-16(3-6(5)13)9-7(14)1-4(11(18)19)10(17)8(9)15/h1-3,17H,(H,18,19)","","2022-06-07","2022-11-25","4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid","2022-11-30"],["7IC","6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole","C21 H18 N2 O2 S","Cc1ccc2c([nH]c(c3ccccc3)c2[CH](C[N+]([O-])=O)c4sccc4)c1;Cc1ccc2c(c1)[nH]c(c2C(C[N+](=O)[O-])c3cccs3)c4ccccc4","InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3/t17-/m0/s1","","2021-10-05","2022-06-10","6-methyl-3-[(1~{S})-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1~{H}-indole","2022-06-15"],["KVB","2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid","C32 H24 F3 N O3","OC(=O)Cc1ccc(COc2cccc(c2)c3c(Cc4ccccc4)cnc5c3cccc5C(F)(F)F)cc1;c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F","InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)","","2019-06-29","2019-11-22","2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid","2019-11-27"],["KVC","(5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile","C23 H18 F N7 O2","Fc3ccc2C(=O)N(Cc1nc5ccc(C#N)cn5c1c4nc(OC(c2c3)C)c(nc4)N)C;C[CH]1Oc2nc(cnc2N)c3n4cc(ccc4nc3CN(C)C(=O)c5ccc(F)cc15)C#N;CC1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F","InChI=1S/C23H18FN7O2/c1-12-16-7-14(24)4-5-15(16)23(32)30(2)11-18-20(17-9-27-21(26)22(29-17)33-12)31-10-13(8-25)3-6-19(31)28-18/h3-7,9-10,12H,11H2,1-2H3,(H2,26,27)/t12-/m1/s1","","2014-03-13","2014-05-23","(5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile","2014-05-28"],["7ID","(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid","C10 H19 N5 O5","O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O;N[CH](CC(=O)N[CH](CCCNC(N)=N)C(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)CC(C(=O)O)N)CNC(=N)N","InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1","","2021-08-11","2024-09-27","L-beta-aspartyl-L-arginine","2021-08-18"],["7IE","Flupyradifurone","C12 H11 Cl F2 N2 O2","FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2;c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl","InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2","3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one","2021-08-05","2022-01-28","3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one","2022-02-02"],["KVD","5-(phenylethynyl)pyridine-3-carboxylic acid","C14 H9 N O2","c1(ccccc1)C#Cc2cncc(C(O)=O)c2;OC(=O)c1cncc(c1)C#Cc2ccccc2;c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O","InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)","","2019-01-18","2019-03-15","5-(phenylethynyl)pyridine-3-carboxylic acid","2019-03-20"],["KVE","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol","C19 H19 N O5 S","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2scc(n2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3csc(n3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C19H19NO5S/c21-8-14-15(22)16(23)17(24)18(25-14)19-20-13(9-26-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,14-18,21-24H,8H2/t14-,15-,16+,17-,18-/m1/s1","","2019-06-29","2020-02-14","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol","2020-02-19"],["7IF","N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide","C20 H23 F3 N6 O3","COCCNc1cc(NC(=O)N2CCCc3ccc(nc23)C(=O)C(F)(F)F)ncc1CN;COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F","InChI=1S/C20H23F3N6O3/c1-32-8-6-25-15-9-16(26-11-13(15)10-24)28-19(31)29-7-2-3-12-4-5-14(27-18(12)29)17(30)20(21,22)23/h4-5,9,11H,2-3,6-8,10,24H2,1H3,(H2,25,26,28,31)","","2021-10-05","2024-09-27","~{N}-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide","2022-02-23"],["KVF","(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide","C15 H16 Cl N3 O","Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1;CC[CH](C(=O)Nc1cnncc1C)c2cccc(Cl)c2;CCC(c1cccc(c1)Cl)C(=O)Nc2cnncc2C","InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1","","2023-08-14","2023-11-03","(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide","2023-11-08"],["7IG","5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE","C19 H19 F2 N5","Fc1cc(cc(F)c1)CNc3ccc(c2c(nc(nc2CC)N)N)cc3;CCc1nc(N)nc(N)c1c2ccc(NCc3cc(F)cc(F)c3)cc2;CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F","InChI=1S/C19H19F2N5/c1-2-16-17(18(22)26-19(23)25-16)12-3-5-15(6-4-12)24-10-11-7-13(20)9-14(21)8-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)","","2006-02-27","2011-06-04","5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine",""],["KVH","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol","C19 H19 N O5 S","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3nc(cs3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C19H19NO5S/c21-8-14-15(22)16(23)17(24)18(25-14)13-9-26-19(20-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,14-18,21-24H,8H2/t14-,15-,16+,17-,18+/m1/s1","","2019-06-29","2020-02-14","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol","2020-02-19"],["7IH","N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide","C18 H21 N5 O2","CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1;CC(C)[CH]1CNC(=O)c2cc(nn12)c3ccnc(NC(=O)C4CC4)c3;CC(C)C1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4","InChI=1S/C18H21N5O2/c1-10(2)15-9-20-18(25)14-8-13(22-23(14)15)12-5-6-19-16(7-12)21-17(24)11-3-4-11/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,25)(H,19,21,24)/t15-/m0/s1","","2021-08-12","2021-11-19","N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide","2021-11-24"],["KVI","(2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide","C36 H66 N10 O9","O=C(NC(C(=O)NC(C(=O)CC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[N@H])N)CCC(=O)N)CCCC)CCCC)C(C)CC)C(NC(=O)C)C(O)C;CCCC[CH](CC(=O)[CH](CCCC)NC(=O)[CH](NC(=O)[CH](NC(C)=O)[CH](C)O)[CH](C)CC)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CCCNC(N)=N)C(N)=O;CCCCC(CC(=O)C(CCCC)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N","InChI=1S/C36H66N10O9/c1-7-10-13-23(32(52)45-26(16-17-28(37)50)33(53)44-25(31(38)51)15-12-18-41-36(39)40)19-27(49)24(14-11-8-2)43-34(54)29(20(4)9-3)46-35(55)30(21(5)47)42-22(6)48/h20-21,23-26,29-30,47H,7-19H2,1-6H3,(H2,37,50)(H2,38,51)(H,42,48)(H,43,54)(H,44,53)(H,45,52)(H,46,55)(H4,39,40,41)/t20-,21+,23+,24-,25-,26-,29-,30-/m0/s1","","2013-10-08","2013-10-11","(2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide (non-preferred name)","2013-10-16"],["7II","Sulfoxaflor","C10 H10 F3 N3 O S","C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N;CC(c1ccc(nc1)C(F)(F)F)S(=NC#N)(=O)C","InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3/t7-,18+/m0/s1","[methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide","2021-08-05","2022-01-28","[methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide","2022-02-02"],["KVJ","(4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one","C18 H20 F3 N7 O4","FC(F)(F)c1nc(N)ncc1c1nc(nc(c1)N1C(=O)OC(C)C1CO)N1CCOCC1;C[CH]1OC(=O)N([CH]1CO)c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F;CC1C(N(C(=O)O1)c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N)CO","InChI=1S/C18H20F3N7O4/c1-9-12(8-29)28(17(30)32-9)13-6-11(24-16(25-13)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12+/m1/s1","","2022-02-16","2022-05-13","(4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one","2022-05-18"],["7IJ","3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one","C21 H19 N O5","Oc1ccc2c(OC(=O)c3c2oc4ccc(O)c(CN5CCCCC5)c34)c1;c1cc-2c(cc1O)OC(=O)c3c2oc4c3c(c(cc4)O)CN5CCCCC5","InChI=1S/C21H19NO5/c23-12-4-5-13-17(10-12)27-21(25)19-18-14(11-22-8-2-1-3-9-22)15(24)6-7-16(18)26-20(13)19/h4-7,10,23-24H,1-3,8-9,11H2","","2021-10-05","2022-09-23","3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one","2022-09-28"],["7IK","(7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one","C14 H22 N4 O2","CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C;CC(C)[CH]1CNC(=O)c2cc(nn12)N3CCOC[CH]3C;CC1COCCN1c2cc3n(n2)C(CNC3=O)C(C)C","InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1","","2021-08-12","2021-11-19","(7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one","2021-11-24"],["KVK","6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide","C21 H28 N4 O5 S2","CC(C)N1[CH](O)C(=C(c2ccccc2)[S]1(=O)=O)NCCCCc3cccc(n3)[S](N)(=O)=O;CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O","InChI=1S/C21H28N4O5S2/c1-15(2)25-21(26)19(20(32(25,29)30)16-9-4-3-5-10-16)23-14-7-6-11-17-12-8-13-18(24-17)31(22,27)28/h3-5,8-10,12-13,15,21,23,26H,6-7,11,14H2,1-2H3,(H2,22,27,28)/t21-/m0/s1","","2019-06-29","2019-11-22","6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide","2019-11-27"],["KVM","[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid","C4 H6 N O6 P","OP(O)(=O)C1CC(N(O)C1=O)=O;ON1C(=O)C[CH](C1=O)[P](O)(O)=O;C1C(C(=O)N(C1=O)O)P(=O)(O)O","InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1","","2019-01-18","2019-11-22","[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid","2019-11-27"],["7IL","N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide","C25 H31 N5 O2","CC(C)(C)NC(=O)[CH](N(c1ccc(cc1)C(C)(C)C)C(=O)c2[nH]cnc2)c3cccnc3;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3cnc[nH]3","InChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-16,21H,1-6H3,(H,27,28)(H,29,31)/t21-/m1/s1","N-[(1R)-2-(Tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide","2021-08-11","2022-08-19","~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-1~{H}-imidazole-5-carboxamide","2022-08-24"],["7IM","N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide","C29 H46 N4 O10","O=C(NC(CC(C)C)C(O)CCO)C(NC(=O)C(NC(=O)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)C(O)C)C(O)C;CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](NC(=O)[CH](C)C(=O)N[CH](Cc1ccccc1)C(O)=O)[CH](C)O)[CH](C)O)[CH](O)CCO;CC(C)CC(C(CCO)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C)C(=O)NC(Cc1ccccc1)C(=O)O","InChI=1S/C29H46N4O10/c1-15(2)13-20(22(37)11-12-34)30-27(40)23(17(4)35)33-28(41)24(18(5)36)32-26(39)16(3)25(38)31-21(29(42)43)14-19-9-7-6-8-10-19/h6-10,15-18,20-24,34-37H,11-14H2,1-5H3,(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,42,43)/t16-,17+,18-,20+,21+,22+,23+,24+/m1/s1","Macyranone-A","2015-02-10","2024-09-27","N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide","2015-02-18"],["KVN","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol","C13 H16 N4 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2nnc(n2)c3ccccc3;c1ccc(cc1)c2nnn(n2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C13H16N4O5/c18-6-8-9(19)10(20)11(21)13(22-8)17-15-12(14-16-17)7-4-2-1-3-5-7/h1-5,8-11,13,18-21H,6H2/t8-,9-,10+,11-,13-/m1/s1","","2019-07-01","2020-02-14","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol","2020-02-19"],["7IN","N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE","C21 H27 N5 O6 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CO)CO)Cc2ccccc2;NC(=N)c1ccc(CNC(=O)[CH](CO)NC(=O)[CH](CO)N[S](=O)(=O)Cc2ccccc2)cc1;c1ccc(cc1)CS(=O)(=O)NC(CO)C(=O)NC(CO)C(=O)NCc2ccc(cc2)C(=N)N","InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1","","2004-02-11","2011-06-04","N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-serinamide",""],["KVO","2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide","C15 H15 Cl N2 O","Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1;Cc1ccnc(C)c1NC(=O)Cc2cccc(Cl)c2;Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)C","InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19)","","2023-08-14","2023-11-03","2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide","2023-11-08"],["KVP","(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium","C5 H15 N O4 P","C(O)(P(O)(O)=O)C[N+](C)(C)C;C[N+](C)(C)C[CH](O)[P](O)(O)=O;C[N+](C)(C)CC(O)P(=O)(O)O","InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/t5-/m1/s1","","2019-01-18","2019-03-01","(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium","2019-03-06"],["7IO","6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine","C26 H22 N4 O","C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3;c1ccc2c(c1)c(ccn2)c3coc4c3ncc(c4)c5ccc(cc5)N6CCNCC6","InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2","","2023-07-12","2024-06-14","6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine","2024-06-19"],["KVQ","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol","C15 H17 N O5 S","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccccc3;c1ccc(cc1)c2nc(cs2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)9-7-22-15(16-9)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14+/m1/s1","","2019-07-01","2020-02-14","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol","2020-02-19"],["7IP","6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE","C20 H20 N2 O","O(c1cccc(c1)c2cccc(c2)CCc3nc(N)ccc3)C;COc1cccc(c1)c2cccc(CCc3cccc(N)n3)c2;COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N","InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)","","2007-01-12","2011-06-04","6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine",""],["KVR","4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid","C18 H19 N O3 S","O=C(O)c1ccc(cc1)CN1Cc2cc(ccc2SCC1)OC;COc1ccc2SCCN(Cc3ccc(cc3)C(O)=O)Cc2c1;COc1ccc2c(c1)CN(CCS2)Cc3ccc(cc3)C(=O)O","InChI=1S/C18H19NO3S/c1-22-16-6-7-17-15(10-16)12-19(8-9-23-17)11-13-2-4-14(5-3-13)18(20)21/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)","","2022-02-16","2022-05-13","4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid","2022-05-18"],["7IQ","(5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one","C14 H20 N4 O2","O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C;C[CH]1COCCN1c2cc3n(n2)[CH]4CCC[CH]4NC3=O;CC1COCCN1c2cc3n(n2)C4CCCC4NC3=O","InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1","","2021-08-12","2021-11-19","(5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one","2021-11-24"],["7IR","(1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione","C36 H39 N7 O6","CN1CCOCCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6cc(C)c7[nH]ncc7c6)C1=O)c3c2;Cc1cc(cc2c1[nH]nc2)CC3C(=O)N(CCOCCOCCOCC=Cc4cc5c(nc4)NC(=O)C56Cc7cc(cnc7C6)C(=O)N3)C","InChI=1S/C36H39N7O6/c1-22-12-24(13-26-21-39-42-31(22)26)15-29-34(45)43(2)5-7-48-9-11-49-10-8-47-6-3-4-23-14-28-32(38-19-23)41-35(46)36(28)17-25-16-27(33(44)40-29)20-37-30(25)18-36/h3-4,12-14,16,19-21,29H,5-11,15,17-18H2,1-2H3,(H,39,42)(H,40,44)(H,38,41,46)/b4-3+/t29-,36+/m1/s1","","2021-08-09","2022-06-10","","2022-06-15"],["KVS","N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide","C36 H68 N10 O10","C(=O)(C)NC(C(NC(C(=O)NC(C(O)(CC(C(NC(C(NC(C(N)=O)CCCN/C(N)=N)=O)CCC(N)=O)=O)CCCC)O)CCCC)C(C)CC)=O)C(C)O;CCCC[CH](CC(O)(O)[CH](CCCC)NC(=O)[CH](NC(=O)[CH](NC(C)=O)[CH](C)O)[CH](C)CC)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CCCNC(N)=N)C(N)=O;CCCCC(CC(C(CCCC)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C)(O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N","InChI=1S/C36H68N10O10/c1-7-10-13-23(31(51)44-25(16-17-27(37)49)32(52)43-24(30(38)50)14-12-18-41-35(39)40)19-36(55,56)26(15-11-8-2)45-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48/h20-21,23-26,28-29,47,55-56H,7-19H2,1-6H3,(H2,37,49)(H2,38,50)(H,42,48)(H,43,52)(H,44,51)(H,45,53)(H,46,54)(H4,39,40,41)/t20-,21+,23+,24-,25-,26-,28-,29-/m0/s1","","2011-01-13","2019-07-25","(2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4,4-dihydroxynonanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide (non-preferred name)",""],["KVT","~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide","C20 H28 N4 O5 S","Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[S](=O)(=O)N3CCCCCC3;Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C","InChI=1S/C20H28N4O5S/c1-14-8-9-15(12-16(14)30(28,29)23-10-6-4-5-7-11-23)21-17(25)13-24-18(26)20(2,3)22-19(24)27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,25)(H,22,27)","","2019-07-01","2019-08-16","~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide","2019-08-21"],["7IS","N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide","C18 H12 Cl F3 N4 O","FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2;c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)Nc3ccc(nn3)Cl","InChI=1S/C18H12ClF3N4O/c19-15-8-9-16(26-25-15)23-13-4-6-14(7-5-13)24-17(27)11-2-1-3-12(10-11)18(20,21)22/h1-10H,(H,23,26)(H,24,27)","","2021-10-06","2022-08-26","~{N}-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide","2022-08-31"],["KVU","1-(2,4-dichlorophenyl)-3-oxidanyl-urea","C7 H6 Cl2 N2 O2","ONC(=O)Nc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)NC(=O)NO","InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)","","2022-06-07","2022-11-18","1-(2,4-dichlorophenyl)-3-oxidanyl-urea","2022-11-23"],["7IT","N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","C25 H32 Cl F N6 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)[CH](CC[CH](O)CO)c2c1;CNCc1ccc2c(c1)C(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)CCC(CO)O","InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16+,19-,22-/m0/s1","","2021-08-12","2022-06-03","N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","2022-06-08"],["KVV","N,N,N-trimethyl-2-phosphonoethan-1-aminium","C5 H15 N O3 P","C([N+](C)(C)C)CP(O)(O)=O;C[N+](C)(C)CC[P](O)(O)=O;C[N+](C)(C)CCP(=O)(O)O","InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1","","2019-01-18","2019-03-01","N,N,N-trimethyl-2-phosphonoethan-1-aminium","2019-03-06"],["7IU","(1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione","C34 H33 N5 O6","CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6coc7ccccc67)C1=O)c3c2;CN1CCOCCOCC=Cc2cc3c(nc2)NC(=O)C34Cc5cc(cnc5C4)C(=O)NC(C1=O)Cc6coc7c6cccc7","InChI=1S/C34H33N5O6/c1-39-8-10-44-12-11-43-9-4-5-21-13-26-30(36-18-21)38-33(42)34(26)16-22-14-23(19-35-28(22)17-34)31(40)37-27(32(39)41)15-24-20-45-29-7-3-2-6-25(24)29/h2-7,13-14,18-20,27H,8-12,15-17H2,1H3,(H,37,40)(H,36,38,42)/b5-4+/t27-,34+/m1/s1","","2021-08-09","2022-06-10","","2022-06-15"],["KVW","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol","C15 H17 N O5 S","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2scc(n2)c3ccccc3;c1ccc(cc1)c2csc(n2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)15-16-9(7-22-15)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14-/m1/s1","","2019-07-01","2020-02-14","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol","2020-02-19"],["7IV","~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide","C15 H14 Cl N O2","Clc1ccc(NC(=O)COCc2ccccc2)cc1;c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl","InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)","","2021-10-07","2022-09-30","~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide","2022-10-05"],["KVX","(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide","C15 H13 Cl N2 O3","OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21;OCc1ccncc1NC(=O)[CH]2COc3ccc(Cl)cc23;c1cc2c(cc1Cl)C(CO2)C(=O)Nc3cnccc3CO","InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1","","2023-08-14","2023-11-03","(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide","2023-11-08"],["7IW","N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","C25 H32 Cl F N6 O4","Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC;CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)[CH](CC[CH](O)CO)c2c1;CNCc1ccc2c(c1)C(C(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)CCC(CO)O","InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16-,19+,22+/m1/s1","","2021-08-12","2022-06-03","N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide","2022-06-08"],["KVY","4-amino-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide","C22 H28 N8 O4","O=C(Nc1cc(C(=O)NCCC(=O)NC)n(c1)C)c3cc(NC(=O)c2cc(N)cn2C)cn3C;CNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C;CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N","InChI=1S/C22H28N8O4/c1-24-19(31)5-6-25-20(32)17-8-14(11-29(17)3)27-22(34)18-9-15(12-30(18)4)26-21(33)16-7-13(23)10-28(16)2/h7-12H,5-6,23H2,1-4H3,(H,24,31)(H,25,32)(H,26,33)(H,27,34)","","2010-04-06","2011-06-04","4-amino-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide",""],["7IX","(1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol","C27 H29 F3 N6 O3 S","COc1cc(nnc1OC)c2ccc(CN[CH]3C[CH](O)[CH](C3)N(C)c4ncnc5sc(CC(F)(F)F)cc45)cc2;CN(c1c2cc(sc2ncn1)CC(F)(F)F)C3CC(CC3O)NCc4ccc(cc4)c5cc(c(nn5)OC)OC","InChI=1S/C27H29F3N6O3S/c1-36(24-19-10-18(12-27(28,29)30)40-26(19)33-14-32-24)21-8-17(9-22(21)37)31-13-15-4-6-16(7-5-15)20-11-23(38-2)25(39-3)35-34-20/h4-7,10-11,14,17,21-22,31,37H,8-9,12-13H2,1-3H3/t17-,21+,22-/m1/s1","","2022-02-21","2023-03-17","(1~{R},2~{S},4~{R})-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol","2023-03-22"],["7IY","~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide","C9 H11 Cl N2 O2","COCC(=O)Nc1ccc(Cl)c(N)c1;COCC(=O)Nc1ccc(c(c1)N)Cl","InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13)","","2021-10-07","2022-09-30","~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide","2022-10-05"],["KVZ","2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide","C22 H23 Cl N4 O5 S","CN(C)[S](=O)(=O)c1cc(NC(=O)CN2C(=O)N[C]3(CCCc4ccccc34)C2=O)ccc1Cl;CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)C3(CCCc4c3cccc4)NC2=O","InChI=1S/C22H23ClN4O5S/c1-26(2)33(31,32)18-12-15(9-10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1","","2019-07-01","2019-08-16","2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide","2019-08-21"],["7IZ","7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine","C27 H28 Cl F N6 O","CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CCNCC1)c1cccc2cccc(Cl)c21;CN1CCC[CH]1COc2nc(N3CCNCC3)c4cnc(c(F)c4n2)c5cccc6cccc(Cl)c56;CN1CCCC1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6","InChI=1S/C27H28ClFN6O/c1-34-12-4-7-18(34)16-36-27-32-25-20(26(33-27)35-13-10-30-11-14-35)15-31-24(23(25)29)19-8-2-5-17-6-3-9-21(28)22(17)19/h2-3,5-6,8-9,15,18,30H,4,7,10-14,16H2,1H3/t18-/m0/s1","","2021-08-13","2021-12-17","7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine","2021-12-22"],["KW0","(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid","C26 H50 N O9 P","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COCC)O[P](O)(=O)OC[CH](N)C(O)=O;CCCCCCCCC=CCCCCCCCC(=O)OCC(COCC)OP(=O)(O)OCC(C(=O)O)N","InChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1","","2022-10-20","2024-05-10","(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid","2024-05-15"],["7J0","(2~{S})-~{N}-[(2~{S})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide","C33 H40 N4 O5","C(=O)(CCc1ccccc1)NC(CC(=O)N2CCCCC2)C(=O)NC(COC)C(=O)NCc3c4c(ccc3)cccc4;COC[CH](NC(=O)[CH](CC(=O)N1CCCCC1)NC(=O)CCc2ccccc2)C(=O)NCc3cccc4ccccc34;COCC(C(=O)NCc1cccc2c1cccc2)NC(=O)C(CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4","InChI=1S/C33H40N4O5/c1-42-23-29(32(40)34-22-26-15-10-14-25-13-6-7-16-27(25)26)36-33(41)28(21-31(39)37-19-8-3-9-20-37)35-30(38)18-17-24-11-4-2-5-12-24/h2,4-7,10-16,28-29H,3,8-9,17-23H2,1H3,(H,34,40)(H,35,38)(H,36,41)/t28-,29-/m0/s1","","2016-10-31","2017-01-06","(2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(piperidin-1-yl)butanamide (non-preferred name)","2017-01-11"],["KW1","({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid","C8 H9 Br N2 O4 S","C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O;Cc1onc(NC(=O)CSCC(O)=O)c1Br;Cc1c(c(no1)NC(=O)CSCC(=O)O)Br","InChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12)","","2019-01-18","2019-03-15","({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid","2019-03-20"],["7J1","(2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name)","C32 H34 N4 O5","C(CCc1ccccc1)(=O)NC(C(=O)NC(C(NCc2c3c(ccc2)cccc3)=O)COC)CC(n4cccc4)=O;COC[CH](NC(=O)[CH](CC(=O)n1cccc1)NC(=O)CCc2ccccc2)C(=O)NCc3cccc4ccccc34;COCC(C(=O)NCc1cccc2c1cccc2)NC(=O)C(CC(=O)n3cccc3)NC(=O)CCc4ccccc4","InChI=1S/C32H34N4O5/c1-41-22-28(31(39)33-21-25-14-9-13-24-12-5-6-15-26(24)25)35-32(40)27(20-30(38)36-18-7-8-19-36)34-29(37)17-16-23-10-3-2-4-11-23/h2-15,18-19,27-28H,16-17,20-22H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t27-,28-/m0/s1","","2016-10-31","2017-01-06","(2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name)","2017-01-11"],["KW2","(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol","C24 H34 N2 O4","C[CH]1[CH](C[CH]2C[CH]1C2(C)C)NCc3cn([CH]4OC[CH](O)[CH](O)[CH]4O)c5ccccc35;CC1C2CC(C2(C)C)CC1NCc3cn(c4c3cccc4)C5C(C(C(CO5)O)O)O","InChI=1S/C24H34N2O4/c1-13-17-8-15(24(17,2)3)9-18(13)25-10-14-11-26(19-7-5-4-6-16(14)19)23-22(29)21(28)20(27)12-30-23/h4-7,11,13,15,17-18,20-23,25,27-29H,8-10,12H2,1-3H3/t13-,15+,17-,18-,20-,21+,22-,23-/m1/s1","","2022-06-07","2023-06-09","(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol","2023-06-14"],["KW3","(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid","C30 H36 N O11 P","CCOC[CH](COC(=O)CCc1ccccc1OCc2cccc(Oc3ccccc3)c2)O[P](O)(=O)OC[CH](N)C(O)=O;CCOCC(COC(=O)CCc1ccccc1OCc2cccc(c2)Oc3ccccc3)OP(=O)(O)OCC(C(=O)O)N","InChI=1S/C30H36NO11P/c1-2-37-19-26(42-43(35,36)40-21-27(31)30(33)34)20-39-29(32)16-15-23-10-6-7-14-28(23)38-18-22-9-8-13-25(17-22)41-24-11-4-3-5-12-24/h3-14,17,26-27H,2,15-16,18-21,31H2,1H3,(H,33,34)(H,35,36)/t26-,27+/m1/s1","","2022-10-21","2023-12-22","(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid","2023-12-27"],["7J2","(4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one","C23 H25 F N6 O2","c1(ccc(F)c(C)c1)c2cnc(nc2)C(C)Nc4nccc(N3C(OCC3C(C)C)=O)n4;CC(C)[CH]1COC(=O)N1c2ccnc(N[CH](C)c3ncc(cn3)c4ccc(F)c(C)c4)n2;Cc1cc(ccc1F)c2cnc(nc2)C(C)Nc3nccc(n3)N4C(COC4=O)C(C)C","InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1","","2016-10-31","2017-01-20","(4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one","2017-01-25"],["KW4","5-methyl-D-norleucine","C7 H15 N O2","CC(C)CCC(N)C(=O)O;CC(C)CC[CH](N)C(O)=O;CC(C)CCC(C(=O)O)N","InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1","","2022-02-17","2025-06-20","5-methyl-D-norleucine","2025-06-25"],["7J3","(2S)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid","C9 H16 N2 O3","C(CC(=O)N1CCCCC1)(N)C(=O)O;N[CH](CC(=O)N1CCCCC1)C(O)=O;C1CCN(CC1)C(=O)CC(C(=O)O)N","InChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1","","2016-11-01","2017-01-06","(2S)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid","2017-01-11"],["KW5","2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide","C17 H21 Br N4 O5 S","C[CH]1CCCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)CNC3=O)ccc2Br;CC1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O","InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)/t11-/m0/s1","","2019-07-01","2019-08-16","2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide","2019-08-21"],["7J4","N-tert-butoxy-L-asparagine","C8 H16 N2 O4","O=C(C(CC(NOC(C)(C)C)=O)N)O;CC(C)(C)ONC(=O)C[CH](N)C(O)=O;CC(C)(C)ONC(=O)CC(C(=O)O)N","InChI=1S/C8H16N2O4/c1-8(2,3)14-10-6(11)4-5(9)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t5-/m0/s1","","2016-11-01","2017-01-06","N-tert-butoxy-L-asparagine","2017-01-11"],["KW6","(2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol","C22 H19 N5 O4","Nc1ncnc2n(cc(C#Cc3cnc4ccccc4c3)c12)[CH]5O[CH](CO)[CH](O)[CH]5O;c1ccc2c(c1)cc(cn2)C#Cc3cn(c4c3c(ncn4)N)C5C(C(C(O5)CO)O)O","InChI=1S/C22H19N5O4/c23-20-17-14(6-5-12-7-13-3-1-2-4-15(13)24-8-12)9-27(21(17)26-11-25-20)22-19(30)18(29)16(10-28)31-22/h1-4,7-9,11,16,18-19,22,28-30H,10H2,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1","","2022-06-07","2023-06-09","(2~{R},3~{R},4~{S},5~{R})-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol","2023-06-14"],["7J5","4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide","C24 H31 N5 O4","O=C(N)c3nccc(N2C(=O)N(CCC(CCOc1ccc(C=NOCC)cc1)C)CC2)c3;CCON=Cc1ccc(OCC[CH](C)CCN2CCN(C2=O)c3ccnc(c3)C(N)=O)cc1;CCON=Cc1ccc(cc1)OCCC(C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N","InChI=1S/C24H31N5O4/c1-3-33-27-17-19-4-6-21(7-5-19)32-15-10-18(2)9-12-28-13-14-29(24(28)31)20-8-11-26-22(16-20)23(25)30/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,25,30)/b27-17+/t18-/m0/s1","","2013-11-12","2014-09-05","4-{3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-oxoimidazolidin-1-yl}pyridine-2-carboxamide","2014-02-12"],["KW7","methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate","C12 H11 F N2 O2","c2c(c1cnc(C(=O)OC)c1N)c(F)ccc2;COC(=O)c1[nH]cc(c1N)c2ccccc2F;COC(=O)c1c(c(c[nH]1)c2ccccc2F)N","InChI=1S/C12H11FN2O2/c1-17-12(16)11-10(14)8(6-15-11)7-4-2-3-5-9(7)13/h2-6,15H,14H2,1H3","","2019-01-18","2019-02-15","methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate","2019-02-20"],["7J6","1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone","C28 H38 N5 O3","C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[CH](C[NH2+]1)C(=O)N5CCOCC5;CC1CN(C(C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C","InChI=1S/C28H37N5O3/c1-20-17-32(24(16-29-20)27(35)31-9-11-36-12-10-31)18-25(34)33-19-28(2,3)26-23(33)14-22(15-30-26)13-21-7-5-4-6-8-21/h4-8,14-15,20,24,29H,9-13,16-19H2,1-3H3/p+1/t20-,24-/m1/s1","","2016-11-01","2017-05-19","1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone","2017-05-24"],["KW8","(1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","C13 H16 N2","CC[CH]1NCCc2c1[nH]c3ccccc23;CCC1c2c(c3ccccc3[nH]2)CCN1","InChI=1S/C13H16N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-6,11,14-15H,2,7-8H2,1H3/t11-/m0/s1","","2019-07-02","2020-04-03","(1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2020-04-08"],["7J8","3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid","C40 H46 N4 O16","Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O;Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C40H46N4O16/c1-18-23(10-37(53)54)20(3-7-34(47)48)28(42-18)15-31-26(13-40(59)60)22(5-9-36(51)52)30(44-31)16-32-25(12-39(57)58)21(4-8-35(49)50)29(43-32)14-27-24(11-38(55)56)19(17-41-27)2-6-33(45)46/h17,41-44H,2-16H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)","","2016-11-01","2024-09-27","3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid","2017-11-15"],["KW9","7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","C19 H17 F N2 O4","COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F","InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)","","2023-08-14","2023-11-03","7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["7J9","6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid","C30 H29 Br O8 S","C2(=C(c1ccc(cc1)OCCCCCC(=O)O)C3C(CC2O3)S(=O)(Oc4ccc(cc4)Br)=O)c5ccc(cc5)O;OC(=O)CCCCCOc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O","InChI=1S/C30H29BrO8S/c31-21-9-15-24(16-10-21)39-40(35,36)26-18-25-28(19-5-11-22(32)12-6-19)29(30(26)38-25)20-7-13-23(14-8-20)37-17-3-1-2-4-27(33)34/h5-16,25-26,30,32H,1-4,17-18H2,(H,33,34)/t25-,26+,30+/m0/s1","","2016-11-01","2017-01-13","6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid","2017-01-18"],["KWA","1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine","C12 H11 Cl2 N O","c2(cc(c1ccc(CNC)o1)cc(c2)Cl)Cl;CNCc1oc(cc1)c2cc(Cl)cc(Cl)c2;CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl","InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3","","2019-01-18","2019-02-15","1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine","2019-02-20"],["7JA","N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine","C18 H29 N O4","O=C(NC(C(=O)O)C(C)CC)CC1CCC(=O)C1CC=C/CC;CCC=CC[CH]1[CH](CCC1=O)CC(=O)N[CH]([CH](C)CC)C(O)=O;CCC=CCC1C(CCC1=O)CC(=O)NC(C(C)CC)C(=O)O","InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14-,17-/m0/s1","","2010-09-14","2011-06-04","N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine",""],["KWB","5-cyclohexyl-2-hydroxybenzoate","C13 H15 O3","[O-]C(=O)c1cc(ccc1O)C2CCCCC2;Oc1ccc(cc1C([O-])=O)C2CCCCC2;c1cc(c(cc1C2CCCCC2)C(=O)[O-])O","InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1","","2015-02-12","2015-05-08","5-cyclohexyl-2-hydroxybenzoate","2015-05-13"],["7JB","~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide","C18 H17 N O4 S","CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1;CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O","InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3","","2016-11-02","2018-11-09","~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide","2018-11-14"],["7JC","1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide","C18 H20 N4 O4 S2","CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4;Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C","InChI=1S/C18H20N4O4S2/c1-11-19-9-12(27-11)10-22-16(23)14-8-13(4-5-15(14)21(3)17(22)24)28(25,26)20-18(2)6-7-18/h4-5,8-9,20H,6-7,10H2,1-3H3","","2016-11-02","2018-11-09","1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide","2018-11-14"],["KWC","1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine","C13 H14 F N3 S","Fc1ccc(cc1)c1csc(n1)N1CCNCC1;Fc1ccc(cc1)c2csc(n2)N3CCNCC3;c1cc(ccc1c2csc(n2)N3CCNCC3)F","InChI=1S/C13H14FN3S/c14-11-3-1-10(2-4-11)12-9-18-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2","","2022-02-17","2023-03-10","1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine","2023-03-15"],["KWD","2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide","C12 H7 Cl2 N3 O S","Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2;c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl","InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)","","2019-01-18","2019-03-08","2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide","2019-03-13"],["7JD","6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","C14 H9 F N2 O2","Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3;c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F","InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19)","6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2021-03-01","6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["KWE","3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione","C28 H28 N2 O2","O=C1N(Cc2ccccc2)C(=O)C(=C1Cc3ccccc3)NCCCCc4ccccc4;c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4","InChI=1S/C28H28N2O2/c31-27-25(20-23-15-6-2-7-16-23)26(28(32)30(27)21-24-17-8-3-9-18-24)29-19-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18,29H,10-11,14,19-21H2","","2019-07-02","2019-12-13","3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione","2019-12-18"],["7JE","5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide","C29 H24 F N3 O4","Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3;Cn1c2ccc(cc2cn1)C(c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O","InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m1/s1","5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide","2016-11-02","2021-03-13","5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide","2017-11-22"],["7JF","7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","C20 H11 F3 N2 O2","Oc1c(F)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14;c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F","InChI=1S/C20H11F3N2O2/c21-12-5-1-10(2-6-12)14-15(11-3-7-13(22)8-4-11)17(23)19(26)18-16(14)20(27)25-9-24-18/h1-9,26H,(H,24,25,27)","7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2021-03-13","7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["K","POTASSIUM ION","K","[K+];[K+];[K+]","InChI=1S/K/q+1","","1999-07-08","2011-06-04","potassium",""],["KWF","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","C37 H35 N9 O13 P2","NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccc9ccccc9c8)c%10c(N)ncnc6%10)c2N1;c1ccc2cc(ccc2c1)c3ccc(cc3)c4cn(c5c4c(ncn5)N)C6C(C7C(O6)COP(=O)(OC8C(C(COP(=O)(O7)O)OC8n9cnc1c9NC(=NC1=O)N)O)O)O","InChI=1S/C37H35N9O13P2/c38-31-25-22(19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)11-21)12-45(32(25)41-15-40-31)35-28(48)29-24(57-35)14-55-61(52,53)59-30-27(47)23(13-54-60(50,51)58-29)56-36(30)46-16-42-26-33(46)43-37(39)44-34(26)49/h1-12,15-16,23-24,27-30,35-36,47-48H,13-14H2,(H,50,51)(H,52,53)(H2,38,40,41)(H3,39,43,44,49)/t23-,24-,27-,28-,29-,30-,35-,36-/m1/s1","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","2022-06-07","2022-10-07","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one","2022-10-12"],["7JG","5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","C20 H12 F2 N2 O2","Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14;c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F","InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)","5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2020-06-17","5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["7JH","6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one","C13 H11 N3 O2 S","Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2;Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O","InChI=1S/C13H11N3O2S/c1-6-12(19-7(2)16-6)8-3-9-11(10(17)4-8)14-5-15-13(9)18/h3-5,17H,1-2H3,(H,14,15,18)","6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2021-03-13","6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["KWG","3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid","C19 H13 N O2","c3c(C#Cc1cccc(C(O)=O)c1n2cccc2)cccc3;OC(=O)c1cccc(C#Cc2ccccc2)c1n3cccc3;c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O","InChI=1S/C19H13NO2/c21-19(22)17-10-6-9-16(18(17)20-13-4-5-14-20)12-11-15-7-2-1-3-8-15/h1-10,13-14H,(H,21,22)","","2019-01-21","2019-03-15","3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid","2019-03-20"],["7JI","3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione","C19 H12 Cl3 N3 O2 S","CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3sc(Cl)nc3)c4cc(Cl)cc(Cl)c4;CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl","InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3","","2021-08-09","2022-01-28","3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-1-ium-2-olate","2022-02-02"],["KWH","(1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","C14 H18 N2","CCC[CH]1NCCc2c1[nH]c3ccccc23;CCCC1c2c(c3ccccc3[nH]2)CCN1","InChI=1S/C14H18N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-7,13,15-16H,2,5,8-9H2,1H3/t13-/m0/s1","","2019-07-02","2020-04-03","(1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2020-04-08"],["KWI","1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide","C18 H16 Cl N7 O2","Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23;Cn1c(nnn1)NC(=O)c2cccc3c2N(C(=O)N3Cc4ccccc4Cl)C","InChI=1S/C18H16ClN7O2/c1-24-15-12(16(27)20-17-21-22-23-25(17)2)7-5-9-14(15)26(18(24)28)10-11-6-3-4-8-13(11)19/h3-9H,10H2,1-2H3,(H,20,21,23,27)","","2022-10-25","2023-10-13","1-[(2-chlorophenyl)methyl]-3-methyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide","2023-10-18"],["7JJ","5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","C14 H8 Cl F N2 O2","Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3;c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F","InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20)","5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2020-06-17","5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["KWJ","(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C20 H17 N7 O2","C4(=O)C(C)N(CC#C)c3nc(Nc1cc2c(cc1)C(=O)NN2)ncc3N4CC#C;C[CH]1N(CC#C)c2nc(Nc3ccc4C(=O)NNc4c3)ncc2N(CC#C)C1=O;CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C","InChI=1S/C20H17N7O2/c1-4-8-26-12(3)19(29)27(9-5-2)16-11-21-20(23-17(16)26)22-13-6-7-14-15(10-13)24-25-18(14)28/h1-2,6-7,10-12H,8-9H2,3H3,(H,21,22,23)(H2,24,25,28)/t12-/m1/s1","","2019-01-21","2019-02-15","(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2019-02-20"],["7JK","6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one","C19 H20 N4 O3 S","CN1CCN(CC1)C(=O)c2sc(c(C)c2)c3cc(O)c4N=CNC(=O)c4c3;Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C","InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25)","8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one","2016-11-02","2020-06-17","6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["KWK","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine","C15 H22 N2","CC(C)CCNCCc1c[nH]c2ccccc12;CC(C)CCNCCc1c[nH]c2c1cccc2","InChI=1S/C15H22N2/c1-12(2)7-9-16-10-8-13-11-17-15-6-4-3-5-14(13)15/h3-6,11-12,16-17H,7-10H2,1-2H3","","2019-07-02","2020-04-03","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine","2020-04-08"],["7JL","6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one","C8 H5 Br N2 O2","Oc1cc(Br)cc2C(=O)NC=Nc12;c1c(cc(c2c1C(=O)NC=N2)O)Br","InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13)","6-bromo-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2020-06-17","6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["KWL","1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine","C19 H22 N6","c1nccc(c1CNCc1cc2nccnc2cc1)N1CCNCC1;C1CN(CCN1)c2ccncc2CNCc3ccc4nccnc4c3;c1cc2c(cc1CNCc3cnccc3N4CCNCC4)nccn2","InChI=1S/C19H22N6/c1-2-17-18(24-6-5-23-17)11-15(1)12-22-14-16-13-21-4-3-19(16)25-9-7-20-8-10-25/h1-6,11,13,20,22H,7-10,12,14H2","","2022-02-17","2022-05-20","1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine","2022-05-25"],["7JM","6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one","C14 H11 N3 O2","Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2;Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O","InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19)","8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one","2016-11-02","2021-03-01","6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["KWM","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C36 H49 N9 O16 P2","O=C1NC(=O)NCN(c3c(NC(CC(C1)c2ccccc2)O)cc(C)c(C)c3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(C4O)O)n5cnc6c5ncnc6N;Cc1cc2N[CH](O)C[CH](CC(=O)NC(=O)NCN(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c2cc1C)c6ccccc6;Cc1cc2c(cc1C)N(CNC(=O)NC(=O)CC(CC(N2)O)c3ccccc3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C36H49N9O16P2/c1-18-8-22-23(9-19(18)2)44(16-41-36(53)43-28(49)11-21(10-27(48)42-22)20-6-4-3-5-7-20)12-24(46)30(50)25(47)13-58-62(54,55)61-63(56,57)59-14-26-31(51)32(52)35(60-26)45-17-40-29-33(37)38-15-39-34(29)45/h3-9,15,17,21,24-27,30-32,35,42,46-48,50-52H,10-14,16H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,43,49,53)/t21-,24-,25+,26+,27+,30-,31+,32+,35+/m0/s1","GSK2879552","2019-01-22","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(8S,10R)-10-hydroxy-13,14-dimethyl-4,6-dioxo-8-phenyl-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,3,5,11-benzotetraazacyclotridecin-1-yl]pentyl dihydrogen diphosphate (non-preferred name)","2019-02-13"],["7JN","4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide","C27 H27 F N6 O5","n5(C1OC(CC1O)C4C(CNC(c3cc(c2ccc(F)cc2)cc(c3O)O)=O)C4)cnc6c5ncnc6NC;CNc1ncnc2n(cnc12)[CH]3O[CH](C[CH]3O)[CH]4C[CH]4CNC(=O)c5cc(cc(O)c5O)c6ccc(F)cc6;CNc1c2c(ncn1)n(cn2)C3C(CC(O3)C4CC4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O","InChI=1S/C27H27FN6O5/c1-29-24-22-25(32-11-31-24)34(12-33-22)27-20(36)9-21(39-27)17-7-15(17)10-30-26(38)18-6-14(8-19(35)23(18)37)13-2-4-16(28)5-3-13/h2-6,8,11-12,15,17,20-21,27,35-37H,7,9-10H2,1H3,(H,30,38)(H,29,31,32)/t15-,17+,20+,21-,27+/m0/s1","","2016-11-02","2017-11-17","4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide","2017-11-22"],["KWN","(1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid","C21 H21 F3 N4 O2","C[CH]1CC[CH](C)[CH]([CH]1Nc2nc(ncc2F)c3c[nH]c4c(F)cc(F)cc34)C(O)=O;CC1CCC(C(C1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C","InChI=1S/C21H21F3N4O2/c1-9-3-4-10(2)17(16(9)21(29)30)27-20-15(24)8-26-19(28-20)13-7-25-18-12(13)5-11(22)6-14(18)23/h5-10,16-17,25H,3-4H2,1-2H3,(H,29,30)(H,26,27,28)/t9-,10+,16+,17+/m1/s1","","2019-07-02","2019-11-01","(1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid","2019-11-06"],["7JO","N-[1-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide","C25 H25 F N6 O6","C[CH](C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)NC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5;CC(CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F","InChI=1S/C25H25FN6O6/c1-11(31-24(37)15-7-13(8-16(33)19(15)34)12-2-4-14(26)5-3-12)6-17-20(35)21(36)25(38-17)32-10-30-18-22(27)28-9-29-23(18)32/h2-5,7-11,17,20-21,25,33-36H,6H2,1H3,(H,31,37)(H2,27,28,29)/t11-,17-,20-,21-,25-/m1/s1","","2016-11-02","2017-11-17","~{N}-[(2~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide","2017-11-22"],["KWO","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","C33 H33 N9 O13 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccccc8)c9c(N)ncnc69;c1ccc(cc1)c2ccc(cc2)c3cn(c4c3c(ncn4)N)C5C(C6C(O5)COP(=O)(OC7C(C(COP(=O)(O6)O)OC7n8cnc9c8N=C(NC9=O)N)O)O)O","InChI=1S/C33H33N9O13P2/c34-27-21-18(17-8-6-16(7-9-17)15-4-2-1-3-5-15)10-41(28(21)37-13-36-27)31-24(44)25-20(53-31)12-51-57(48,49)55-26-23(43)19(11-50-56(46,47)54-25)52-32(26)42-14-38-22-29(42)39-33(35)40-30(22)45/h1-10,13-14,19-20,23-26,31-32,43-44H,11-12H2,(H,46,47)(H,48,49)(H2,34,36,37)(H3,35,39,40,45)/t19-,20-,23-,24-,25-,26-,31-,32-/m1/s1","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","2022-06-07","2022-10-07","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","2022-10-12"],["7JP","6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one","C26 H23 F N4 O2","Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5;c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F","InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2","6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one","2016-11-02","2020-06-17","6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one","2017-11-22"],["KWP","~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide","C17 H16 Cl2 N4 O2","OCC[CH]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3;c1cc(c(cc1N2CC(C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl","InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)/t12-/m0/s1","","2019-01-22","2019-03-08","~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide","2019-03-13"],["7JQ","6-(4-fluorophenyl)quinazolin-8-ol","C14 H9 F N2 O","Oc1cc(cc2cncnc12)c3ccc(F)cc3;c1cc(ccc1c2cc3cncnc3c(c2)O)F","InChI=1S/C14H9FN2O/c15-12-3-1-9(2-4-12)10-5-11-7-16-8-17-14(11)13(18)6-10/h1-8,18H","","2016-11-02","2017-11-17","6-(4-fluorophenyl)quinazolin-8-ol","2017-11-22"],["KWQ","(1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","C15 H20 N2","CC(C)C[CH]1NCCc2c1[nH]c3ccccc23;CC(C)CC1c2c(c3ccccc3[nH]2)CCN1","InChI=1S/C15H20N2/c1-10(2)9-14-15-12(7-8-16-14)11-5-3-4-6-13(11)17-15/h3-6,10,14,16-17H,7-9H2,1-2H3/t14-/m0/s1","","2019-07-02","2020-04-03","(1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2020-04-08"],["7JR","1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one","C12 H11 N O2","CN1C=C(C=C(O)C1=O)c2ccccc2;CN1C=C(C=C(C1=O)O)c2ccccc2","InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3","3-hydroxy-1-methyl-5-phenylpyridin-2-one","2016-11-02","2020-06-17","1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one","2017-11-22"],["KWR","N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide","C16 H15 N3 O3","O=C(Cc1cccnc1)Nc1cccc(c1)OC1CC(=O)N1;O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cccnc3)c2;c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cccnc3","InChI=1S/C16H15N3O3/c20-14(7-11-3-2-6-17-10-11)18-12-4-1-5-13(8-12)22-16-9-15(21)19-16/h1-6,8,10,16H,7,9H2,(H,18,20)(H,19,21)/t16-/m0/s1","","2023-08-14","2023-11-03","N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide","2023-11-08"],["7JS","6-(4-fluorophenyl)quinolin-8-ol","C15 H10 F N O","Oc1cc(cc2cccnc12)c3ccc(F)cc3;c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F","InChI=1S/C15H10FNO/c16-13-5-3-10(4-6-13)12-8-11-2-1-7-17-15(11)14(18)9-12/h1-9,18H","","2016-11-02","2017-11-17","6-(4-fluorophenyl)quinolin-8-ol","2017-11-22"],["KWS","{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C9 H13 N3 O4","O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=C;C[CH](O)[CH](N)C1=NC(=C)C(=O)N1CC(O)=O;CC(C(C1=NC(=C)C(=O)N1CC(=O)O)N)O","InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2011-11-18","2024-09-27","{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["7JT","(3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide","C19 H23 N3 O5","N(C(CC(c1onc(n1)Cc2cc3c(cc2)OCO3)CC4CCCC4)=O)O;ONC(=O)C[CH](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2;c1cc2c(cc1Cc3nc(on3)C(CC4CCCC4)CC(=O)NO)OCO2","InChI=1S/C19H23N3O5/c23-18(21-24)10-14(7-12-3-1-2-4-12)19-20-17(22-27-19)9-13-5-6-15-16(8-13)26-11-25-15/h5-6,8,12,14,24H,1-4,7,9-11H2,(H,21,23)/t14-/m1/s1","","2016-05-09","2016-11-25","(3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide","2016-11-30"],["KWT","(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,\n3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE","C23 H24 O8","O=C3c2occ1C(=O)OC(C(c12)(C5=C3C4C(C(=O)CC4)(C)CC5OC(=O)C)C)COC;COC[CH]1OC(=O)c2coc3C(=O)C4=C([CH](C[C]5(C)[CH]4CCC5=O)OC(C)=O)[C]1(C)c23;CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(c5c(coc5C3=O)C(=O)OC4COC)C)C","InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1","[1S-(1A,6BA,9AB,11A,11BB)]-11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHLY)\n-9A,11B-DIMETHYL-3H-FURO[4,3,2-DE]INDENL[4,5-H]-2-BENZOPYRAN-3,6,9,TRIONE; WORTMANNIN","2000-09-11","2024-09-27","(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate",""],["7JU","7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","C14 H8 F2 N2 O2","Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3;c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F","InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20)","7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one","2016-11-02","2021-03-01","7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one","2017-11-22"],["7JV","6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one","C16 H14 N2 O3","COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2;COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O","InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20)","8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one","2016-11-02","2021-03-01","6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one","2017-11-22"],["KWU","N-methyl-1-(quinoxalin-6-yl)methanamine","C10 H11 N3","CNCc1cc2nccnc2cc1;CNCc1ccc2nccnc2c1;CNCc1ccc2c(c1)nccn2","InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3","","2022-02-17","2022-05-20","N-methyl-1-(quinoxalin-6-yl)methanamine","2022-05-25"],["KWV","~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide","C11 H11 Cl2 N3 O","CC(=O)NC1=NN(CC1)c2ccc(Cl)c(Cl)c2;CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl","InChI=1S/C11H11Cl2N3O/c1-7(17)14-11-4-5-16(15-11)8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,15,17)","","2019-01-22","2019-03-08","~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide","2019-03-13"],["7JW","7-(4-fluorophenyl)quinoxalin-5-ol","C14 H9 F N2 O","Oc1cc(cc2nccnc12)c3ccc(F)cc3;c1cc(ccc1c2cc3c(c(c2)O)nccn3)F","InChI=1S/C14H9FN2O/c15-11-3-1-9(2-4-11)10-7-12-14(13(18)8-10)17-6-5-16-12/h1-8,18H","","2016-11-02","2017-11-17","7-(4-fluorophenyl)quinoxalin-5-ol","2017-11-22"],["7JX","6-bromanyl-3-chloranyl-quinolin-8-ol","C9 H5 Br Cl N O","Oc1cc(Br)cc2cc(Cl)cnc12;c1c2cc(cnc2c(cc1Br)O)Cl","InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H","","2016-11-02","2017-11-17","6-bromanyl-3-chloranyl-quinolin-8-ol","2017-11-22"],["KWW","1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide","C19 H18 Cl2 N4 O","NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3;c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN","InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)","","2019-07-02","2020-07-17","1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide","2020-07-22"],["KWX","(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid","C14 H15 Cl F N O3","OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1;OC(=O)[CH]1CCCC[CH]1C(=O)Nc2ccc(F)c(Cl)c2;c1cc(c(cc1NC(=O)C2CCCCC2C(=O)O)Cl)F","InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1","","2023-05-05","2023-06-09","(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid","2023-06-14"],["7JY","7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid","C31 H31 Cl O8 S","C=1(C3CC(C(C=1c2ccc(cc2)OCCCCCCC(=O)O)O3)S(=O)(=O)Oc4cc(ccc4)Cl)c5ccc(cc5)O;OC(=O)CCCCCCOc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4cccc(Cl)c4)c5ccc(O)cc5;c1cc(cc(c1)Cl)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O","InChI=1S/C31H31ClO8S/c32-22-6-5-7-25(18-22)40-41(36,37)27-19-26-29(20-9-13-23(33)14-10-20)30(31(27)39-26)21-11-15-24(16-12-21)38-17-4-2-1-3-8-28(34)35/h5-7,9-16,18,26-27,31,33H,1-4,8,17,19H2,(H,34,35)/t26-,27+,31+/m0/s1","","2016-11-02","2017-01-13","7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid","2017-01-18"],["7JZ","2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose","C6 H10 F2 O5","FC1(F)C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)C(F)(F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)(F)F)O)O)O","InChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2/t2-,3+,4+,5-/m1/s1","2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYME INTERMEDIATE; 2-deoxy-2,2-difluoro-beta-D-lyxo-hexose;\n2-deoxy-2,2-difluoro-D-lyxo-hexose; 2-deoxy-2,2-difluoro-lyxo-hexose","2009-05-19","2024-09-27","2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose",""],["KWY","4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide","C26 H25 N3 O","CC(c4ccc(C(=O)Nc3cc(c1ccccc1)nn3c2ccccc2)cc4)(C)C;CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4;CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4","InChI=1S/C26H25N3O/c1-26(2,3)21-16-14-20(15-17-21)25(30)27-24-18-23(19-10-6-4-7-11-19)28-29(24)22-12-8-5-9-13-22/h4-18H,1-3H3,(H,27,30)","","2019-01-22","2019-05-17","4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide","2019-05-22"],["7K0","(2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid","C18 H29 N4 O7 P","CC(C)C[CH](NC(=O)[CH](CN)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(CN)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H29N4O7P/c1-12(2)8-14(17(24)25)21-16(23)15(9-19)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1","","2016-11-03","2017-08-11","(2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid","2017-08-16"],["KWZ","4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile","C20 H21 F3 N4","FC(F)(F)c1cccc(c1)c2cc(CCCN3CCCCC3)nc(n2)C#N;c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3","InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2","","2009-12-09","2024-09-27","4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile",""],["7K1","1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one","C34 H31 N5 O2","Cc1ccc(c2[nH]c3ncccc3c2CCC(=O)N4CCOC[CH]4c5[nH]c6ccccc6n5)c(c1)c7ccccc7;Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOCC5c6[nH]c7ccccc7n6","InChI=1S/C34H31N5O2/c1-22-13-14-25(27(20-22)23-8-3-2-4-9-23)32-24(26-10-7-17-35-33(26)38-32)15-16-31(40)39-18-19-41-21-30(39)34-36-28-11-5-6-12-29(28)37-34/h2-14,17,20,30H,15-16,18-19,21H2,1H3,(H,35,38)(H,36,37)/t30-/m0/s1","","2016-11-03","2017-01-06","1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one","2017-01-11"],["KX0","Tinengotinib","C20 H19 Cl N6 O","Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5;Cc1c2c(n[nH]1)Nc3cc(ncc3C(=N2)c4ccccc4Cl)N5CCOCC5","InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)","4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine","2022-10-26","2023-11-02","4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine","2023-10-25"],["KX1","4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile","C20 H30 N4","N#Cc1nc(CCCN2CCCCC2)cc(n1)C3CCCCCC3;c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3","InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2","","2009-12-09","2011-06-04","4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile",""],["7K2","[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside","C12 H23 N O7 S","OC[CH]1O[CH](SC[CH]2CNC[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(CN1)O)O)CSC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H23NO7S/c14-3-7-9(17)10(18)11(19)12(20-7)21-4-5-1-13-2-6(15)8(5)16/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-/m1/s1","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethy\nl)oxane-3,4,5-triol; isofagomine-thiol-alpha-D-mannopyranoside; [(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl\n1-thio-alpha-D-mannoside; [(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-D-mannoside;\n[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-mannoside","2016-11-03","2020-07-17","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethy\nl)oxane-3,4,5-triol","2017-08-09"],["KX2","(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate","C34 H50 N4 O8","O=C2C3=C(NCCN1CCCC1)C(=O)C=C2NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C3)C)C;CO[CH]1C[CH](C)CC2=C(NCCN3CCCC3)C(=O)C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C34H50N4O8/c1-20-16-24-29(36-12-15-38-13-7-8-14-38)26(39)19-25(31(24)41)37-33(42)21(2)10-9-11-27(44-5)32(46-34(35)43)23(4)18-22(3)30(40)28(17-20)45-6/h9-11,18-20,22,27-28,30,32,36,40H,7-8,12-17H2,1-6H3,(H2,35,43)(H,37,42)/b11-9-,21-10+,23-18+/t20-,22+,27+,28+,30-,32+/m1/s1","","2010-12-29","2011-06-04","(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate",""],["7K3","1-thio-alpha-D-mannopyranose","C6 H12 O5 S","OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5+,6-/m1/s1","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol; 1-thio-alpha-D-mannose;\n1-thio-D-mannose; 1-thio-mannose","2016-11-03","2020-07-17","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol","2017-08-09"],["7K4","2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile","C20 H19 F N2 O2","C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3;CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3","InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m1/s1","","2016-11-03","2016-12-16","2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile","2016-12-21"],["KX3","1-(quinoxalin-6-yl)methanamine","C9 H9 N3","NCc1cc2nccnc2cc1;NCc1ccc2nccnc2c1;c1cc2c(cc1CN)nccn2","InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2","","2022-02-17","2022-05-20","1-(quinoxalin-6-yl)methanamine","2022-05-25"],["7K6","7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid","C31 H31 Br O8 S","C=2(C4CC(S(=O)(=O)Oc1ccc(cc1)Br)C(C=2c3ccc(cc3)OCCCCCCC(O)=O)O4)c5ccc(cc5)O;OC(=O)CCCCCCOc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O","InChI=1S/C31H31BrO8S/c32-22-10-16-25(17-11-22)40-41(36,37)27-19-26-29(20-6-12-23(33)13-7-20)30(31(27)39-26)21-8-14-24(15-9-21)38-18-4-2-1-3-5-28(34)35/h6-17,26-27,31,33H,1-5,18-19H2,(H,34,35)/t26-,27+,31+/m0/s1","","2016-11-03","2017-01-13","7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid","2017-01-18"],["KX5","3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid","C21 H19 Cl2 N3 O3","OC(=O)CCn1cc(C(=O)NCCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3;c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O","InChI=1S/C21H19Cl2N3O3/c22-17-7-6-15(12-18(17)23)20-16(13-26(25-20)11-9-19(27)28)21(29)24-10-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,27,28)","","2019-07-02","2020-07-17","3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid","2020-07-22"],["KX7","Icilin","C16 H13 N3 O4","C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O;Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+]([O-])=O;c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O","InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)","3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one","2019-01-23","2021-03-13","3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one","2019-02-20"],["7K7","5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline","C15 H20 N3 O2 S","C[CH]1C[NH2+]CCCN1[S](=O)(=O)c2cccc3cnccc23;CC1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3","InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/p+1/t12-/m1/s1","","2016-11-03","2018-06-01","5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline","2018-06-06"],["7K8","[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C9 H16 N3 O8 P","ON=C1CCN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1;C1CN(C(=O)NC1=NO)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C9H16N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h5-6,8,13,15H,1-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1","","2016-11-03","2024-09-27","[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2017-12-20"],["KX8","4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid","C21 H19 Cl2 N3 O3","OC(=O)CCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3;c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O","InChI=1S/C21H19Cl2N3O3/c22-17-9-8-15(11-18(17)23)20-16(13-26(25-20)10-4-7-19(27)28)21(29)24-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,24,29)(H,27,28)","","2019-07-02","2020-07-17","4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid","2020-07-22"],["KX9","(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide","C17 H15 Cl N4 O","Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1;C[CH](C(=O)Nc1cnccc1n2cccn2)c3cccc(Cl)c3;CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2n3cccn3","InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1","","2023-08-14","2023-11-03","(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide","2023-11-08"],["7K9","N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide)","C38 H42 N4 O12","C(N(C(c1cccc(c1O)O)=O)CCCCN(C(c2cccc(c2O)O)=O)CCCNC(c3cccc(c3O)O)=O)CCNC(c4cccc(O)c4O)=O;Oc1cccc(C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(O)c2O)C(=O)c3cccc(O)c3O)C(=O)c4cccc(O)c4O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O","InChI=1S/C38H42N4O12/c43-27-13-3-9-23(31(27)47)35(51)39-17-7-21-41(37(53)25-11-5-15-29(45)33(25)49)19-1-2-20-42(38(54)26-12-6-16-30(46)34(26)50)22-8-18-40-36(52)24-10-4-14-28(44)32(24)48/h3-6,9-16,43-50H,1-2,7-8,17-22H2,(H,39,51)(H,40,52)","","2016-11-04","2017-04-21","N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide)","2017-04-26"],["7KA","4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile","C19 H16 N8 O","C[CH](Nc1ncnc(N)c1C#N)C2=Nn3cccc3C(=O)N2c4ccccc4;CC(C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N","InChI=1S/C19H16N8O/c1-12(24-17-14(10-20)16(21)22-11-23-17)18-25-26-9-5-8-15(26)19(28)27(18)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,21,22,23,24)/t12-/m0/s1","","2016-11-04","2017-01-26","4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile","2017-02-01"],["KXA","3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one","C22 H19 Cl2 N3 O2","Clc4ccc(c2c(c(nc3C(=O)N(c1ccccc1OC)Cc23)C)CN)c(Cl)c4;COc1ccccc1N2Cc3c(nc(C)c(CN)c3c4ccc(Cl)cc4Cl)C2=O;Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN","InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3","","2011-07-21","2011-10-21","3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one",""],["KXB","3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one","C18 H19 Cl2 N3 O2","Clc3ccc(c1c(c(nc2C(=O)N(Cc12)CCOC)C)CN)c(Cl)c3;COCCN1Cc2c(nc(C)c(CN)c2c3ccc(Cl)cc3Cl)C1=O;Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN","InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-15(12)20)14-9-23(5-6-25-2)18(24)17(14)22-10/h3-4,7H,5-6,8-9,21H2,1-2H3","","2011-07-21","2011-10-21","3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one",""],["7KB","5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline","C15 H19 N3 O2 S","Cc1cncc2cccc(c12)[S](=O)(=O)N3CCCNCC3;Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3","InChI=1S/C15H19N3O2S/c1-12-10-17-11-13-4-2-5-14(15(12)13)21(19,20)18-8-3-6-16-7-9-18/h2,4-5,10-11,16H,3,6-9H2,1H3","","2016-11-04","2018-06-01","5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline","2018-06-06"],["KXC","6-methylquinoxaline","C13 H18 N4","CN(C)CCNCc1cc2nccnc2cc1;CN(C)CCNCc1ccc2nccnc2c1;CN(C)CCNCc1ccc2c(c1)nccn2","InChI=1S/C13H18N4/c1-17(2)8-7-14-10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9,14H,7-8,10H2,1-2H3","","2022-02-17","2022-05-20","N~1~,N~1~-dimethyl-N~2~-[(quinoxalin-6-yl)methyl]ethane-1,2-diamine","2022-05-25"],["7KC","PF-3758309","C25 H30 N8 O S","CN(C)C[CH](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5;Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)NC(CN(C)C)c5ccccc5)(C)C","InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1","","2016-11-04","2019-01-16","~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide","2017-12-06"],["R0J","3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one","C20 H18 Cl F3 N6 O","C(N3C(N(C1CC1)c2c3cncc2)=O)c5n(CCCC(F)(F)F)c4c(nc(Cl)cc4)n5;FC(F)(F)CCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5nc(Cl)ccc15;c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl","InChI=1S/C20H18ClF3N6O/c21-16-5-4-14-18(26-16)27-17(28(14)9-1-7-20(22,23)24)11-29-15-10-25-8-6-13(15)30(19(29)31)12-2-3-12/h4-6,8,10,12H,1-3,7,9,11H2","","2020-01-21","2020-05-22","3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one","2020-05-27"],["7KD","~{N}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide","C20 H21 F3 N8 O3 S","CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)[S](C)(=O)=O)n2)C(F)(F)F)cc1;CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F","InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)","","2016-11-04","2017-12-01","~{N}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide","2017-12-06"],["R0K","(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid","C11 H18 N2 O7","N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)CCC(C(=O)O)N)CC(=O)O","InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1","","2023-03-29","2024-09-27","(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid","2023-04-05"],["7KE","3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol","C11 H11 Cl N2 O2","OCCCc1onc(n1)c2ccc(Cl)cc2;c1cc(ccc1c2nc(on2)CCCO)Cl","InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2","","2016-11-04","2017-03-10","3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol","2017-03-15"],["7KF","2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one","C19 H24 N6 O","c4cc(Nc2c1c(CNC1=O)nc(n2)NC3C(CCCC3)N)cc(C)c4;Cc1cccc(Nc2nc(N[CH]3CCCC[CH]3N)nc4CNC(=O)c24)c1;Cc1cccc(c1)Nc2c3c(nc(n2)NC4CCCCC4N)CNC3=O","InChI=1S/C19H24N6O/c1-11-5-4-6-12(9-11)22-17-16-15(10-21-18(16)26)24-19(25-17)23-14-8-3-2-7-13(14)20/h4-6,9,13-14H,2-3,7-8,10,20H2,1H3,(H,21,26)(H2,22,23,24,25)/t13-,14+/m0/s1","","2016-11-04","2016-11-25","2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one","2016-11-30"],["R0L","(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid","C15 H13 F N4 O3","O=C(O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[CH]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)C(=O)O","InChI=1S/C15H13FN4O3/c16-8-1-2-9-10(5-8)19-13-12(9)14(18-7-17-13)20-3-4-23-11(6-20)15(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)(H,17,18,19)/t11-/m1/s1","","2022-06-14","2022-07-01","(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid","2022-07-06"],["7KG","6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one","C17 H21 F N6 O","c1(cn(C)nc1)c2c4c(c(c(n2)NC3CCCCC3N)F)CNC4=O;Cn1cc(cn1)c2nc(N[CH]3CCCC[CH]3N)c(F)c4CNC(=O)c24;Cn1cc(cn1)c2c3c(c(c(n2)NC4CCCCC4N)F)CNC3=O","InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1","","2016-11-04","2016-11-25","6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one","2016-11-30"],["R0M","(2E,4E)-hepta-2,4-dienoic acid","C7 H10 O2","[C@H](C=CCC)=[C@H]C(=O)O;CCC=CC=CC(O)=O;CCC=CC=CC(=O)O","InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+","","2020-01-21","2024-09-27","(2E,4E)-hepta-2,4-dienoic acid","2020-03-18"],["R0N","Roniciclib","C18 H21 F3 N4 O3 S","c3(c(nc(Nc2ccc(S(C1CC1)(N)O)cc2)nc3)OC(C(O)C)C)C(F)(F)F;C[CH](O)[CH](C)Oc1nc(Nc2ccc(cc2)[S](=N)(=O)C3CC3)ncc1C(F)(F)F;CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)C(F)(F)F)O","InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1","BAY 1000394","2016-02-25","2022-10-18","(2R,3R)-3-{[2-({4-[(R)-amino(cyclopropyl)hydroxy-lambda~4~-sulfanyl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy}butan-2-ol","2016-04-27"],["7KH","~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine","C21 H26 N8 O","N=Cc1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5;c1ccn2cc(nc2c1)CN(c3nc(nc(n3)N4CCOCC4)C=N)C5CCCC5","InChI=1S/C21H26N8O/c22-13-18-24-20(27-9-11-30-12-10-27)26-21(25-18)29(17-5-1-2-6-17)15-16-14-28-8-4-3-7-19(28)23-16/h3-4,7-8,13-14,17,22H,1-2,5-6,9-12,15H2/b22-13+","","2016-11-04","2024-09-27","~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine","2017-01-11"],["R0O","4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C32 H32 F3 N9 O","CN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Nc4nc(nc5n(C)ncc45)c6cccnc6)c3)cc2C(F)(F)F;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5ccc(c(c5)C(F)(F)F)CN6CCN(CC6)C","InChI=1S/C32H32F3N9O/c1-20-6-7-21(15-27(20)39-29-25-18-37-43(3)30(25)41-28(40-29)22-5-4-10-36-17-22)31(45)38-24-9-8-23(26(16-24)32(33,34)35)19-44-13-11-42(2)12-14-44/h4-10,15-18H,11-14,19H2,1-3H3,(H,38,45)(H,39,40,41)","","2022-11-21","2023-03-03","4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-03-08"],["7KI","Co-5-octaethyloxaporphyrinium cation","C35 H43 Co N4 O","CCC1=C(CC)C2=CC3=[N+]4C(=[O+]c5n6c(C=C7C(=C(CC)C8=[N+]7[Co]46[N]2C1=C8)CC)c(CC)c5CC)C(=C3CC)CC;CCc1c2cc3[n+]4c(cc5c(c(c6n5[Co]47n2c(c1CC)cc8[n+]7c([o+]6)C(=C8CC)CC)CC)CC)C(=C3CC)CC","InChI=1S/C35H43N4O.Co/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)34(38-32)40-35-27(16-8)25(14-6)33(39-35)19-31-23(12-4)21(10-2)29(37-31)17-28(20)36-30;/h17-19H,9-16H2,1-8H3;/q-1;+4/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-;","","2021-10-08","2022-09-09","","2022-09-14"],["R0P","1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one","C21 H23 N5 O3 S","C(N3C(N(C1CC1)c2c3cncc2)=O)c5cc4cnccc4n5CCCS(C)(=O)=O;C[S](=O)(=O)CCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)cc5cnccc15;CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5","InChI=1S/C21H23N5O3S/c1-30(28,29)10-2-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)27)16-3-4-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3","","2020-01-21","2020-05-22","1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one","2020-05-27"],["7KJ","(7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one","C28 H28 N4 O3 S","COc1ccc(CN2C=Nc3sc4C[CH](CCc4c3C2=O)NCc5c(C)onc5C)c6ccccc16;Cc1c(c(on1)C)CNC2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2","InChI=1S/C28H28N4O3S/c1-16-23(17(2)35-31-16)13-29-19-9-10-22-25(12-19)36-27-26(22)28(33)32(15-30-27)14-18-8-11-24(34-3)21-7-5-4-6-20(18)21/h4-8,11,15,19,29H,9-10,12-14H2,1-3H3/t19-/m1/s1","","2016-11-04","2017-02-03","(7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one","2017-02-08"],["7KK","4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide","C21 H11 Br Cl2 F2 N2 O3 S","c2(c(c(cc(NS(c1c(cc(c(c1)F)Br)F)(=O)=O)c2)Cl)Oc4cc3ccccc3nc4)Cl;Fc1cc(c(F)cc1Br)[S](=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2;c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl","InChI=1S/C21H11BrCl2F2N2O3S/c22-14-8-18(26)20(9-17(14)25)32(29,30)28-12-6-15(23)21(16(24)7-12)31-13-5-11-3-1-2-4-19(11)27-10-13/h1-10,28H","","2016-11-04","2017-05-19","4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide","2017-05-24"],["R0Q","methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate","C22 H20 Cl N3 O4","O=C(OC)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21;COC(=O)NC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;COC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C22H20ClN3O4/c1-29-21(28)25-13-22(8-9-30-19-7-6-15(23)10-17(19)22)20(27)26-18-12-24-11-14-4-2-3-5-16(14)18/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1","","2023-08-21","2023-11-03","methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate","2023-11-08"],["7KL","3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid","C27 H21 Cl O7 S","[C@H](c1ccc(cc1)C3=C(c2ccc(O)cc2)C4CC(C3O4)S(=O)(=O)Oc5cccc(c5)Cl)=CC(=O)O;OC(=O)C=Cc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4cccc(Cl)c4)c5ccc(O)cc5;c1cc(cc(c1)Cl)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O","InChI=1S/C27H21ClO7S/c28-19-2-1-3-21(14-19)35-36(32,33)23-15-22-25(17-9-11-20(29)12-10-17)26(27(23)34-22)18-7-4-16(5-8-18)6-13-24(30)31/h1-14,22-23,27,29H,15H2,(H,30,31)/t22-,23+,27+/m0/s1","","2016-11-04","2017-01-13","3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid","2017-01-18"],["R0R","(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid","C17 H14 F2 N4 O3","O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[C]1(F)CN(CC12COC2)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC5(COC5)C(C4)(C(=O)O)F","InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m1/s1","","2022-06-14","2022-07-01","(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["7KM","4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","C20 H17 F N2 O3 S","c3c(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)cccc3;Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccc3;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3","InChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)","","2016-11-04","2018-07-27","4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","2018-08-01"],["R0S","4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile","C27 H24 Cl N5 O3","COc5c(ccc(N4C(N(Cc2cc1c(ccc(Cl)c1)n2CCCC#N)c3cnccc34)=O)c5)OC;COc1ccc(cc1OC)N2C(=O)N(Cc3cc4cc(Cl)ccc4n3CCCC#N)c5cnccc25;COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl","InChI=1S/C27H24ClN5O3/c1-35-25-8-6-20(15-26(25)36-2)33-23-9-11-30-16-24(23)32(27(33)34)17-21-14-18-13-19(28)5-7-22(18)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3","","2020-01-21","2020-05-22","4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile","2020-05-27"],["R0T","4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C30 H24 F3 N9 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5cnc(C)c5)nc(nc12)c6cccnc6;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F","InChI=1S/C30H24F3N9O/c1-17-6-7-19(29(43)37-22-10-21(30(31,32)33)11-23(12-22)42-15-18(2)35-16-42)9-25(17)38-27-24-14-36-41(3)28(24)40-26(39-27)20-5-4-8-34-13-20/h4-16H,1-3H3,(H,37,43)(H,38,39,40)","","2022-11-21","2023-03-03","4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-03-08"],["7KN","[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide","C18 H23 N8 O","[N-]=Cc1nc(nc(n1)N(Cc2cnccn2)C3CCCC3)N4CCOCC4;c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4","InChI=1S/C18H23N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)13-14-12-20-5-6-21-14/h5-6,11-12,15H,1-4,7-10,13H2/q-1","","2016-11-04","2024-09-27","[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide","2017-01-11"],["R0U","3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one","C16 H12 O6","COc1c(O)cc2OC=C(C(=O)c2c1O)c3ccc(O)cc3;COc1c(cc2c(c1O)C(=O)C(=CO2)c3ccc(cc3)O)O","InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3","tectorigenin","2023-03-30","2023-08-18","3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one","2023-08-23"],["7KO","6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine","C16 H15 Cl N6","c1c(nc(nc1Cl)N)N(Cc2cccnc2)Cc3cnccc3;Nc1nc(Cl)cc(n1)N(Cc2cccnc2)Cc3cccnc3;c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl","InChI=1S/C16H15ClN6/c17-14-7-15(22-16(18)21-14)23(10-12-3-1-5-19-8-12)11-13-4-2-6-20-9-13/h1-9H,10-11H2,(H2,18,21,22)","","2016-11-04","2017-10-20","6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine","2017-10-25"],["R0W","(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid","C17 H14 F2 N4 O3","O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[C]1(F)CN(CC12COC2)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC5(COC5)C(C4)(C(=O)O)F","InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m0/s1","","2022-06-14","2022-07-01","(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["7KP","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4\n,5-triol","C20 H22 O8","OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=Cc2cc(cc(c2)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1","glycosylated resveratrol","2016-11-05","2020-06-17","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol","2017-12-20"],["R0X","~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C27 H25 N7 O3","COc1cc(NC(=O)c2ccc(C)c(Nc3nc(nc4n(C)ncc34)c5cccnc5)c2)cc(OC)c1;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cc(cc(c5)OC)OC","InChI=1S/C27H25N7O3/c1-16-7-8-17(27(35)30-19-11-20(36-3)13-21(12-19)37-4)10-23(16)31-25-22-15-29-34(2)26(22)33-24(32-25)18-6-5-9-28-14-18/h5-15H,1-4H3,(H,30,35)(H,31,32,33)","","2022-11-21","2023-03-03","~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-03-08"],["7KQ","(5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione","C31 H31 N5 O5 S","c21ccnc(c1ccc(c2)NC4c3cccc(c3)CCOC(Nc5cc(CN(C4=O)C)c(cc5)S(C6CC6)(=O)=O)=O)N;CN1Cc2cc(NC(=O)OCCc3cccc(c3)[CH](Nc4ccc5c(N)nccc5c4)C1=O)ccc2[S](=O)(=O)C6CC6;CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)C(C1=O)Nc5ccc6c(c5)ccnc6N","InChI=1S/C31H31N5O5S/c1-36-18-22-17-24(6-10-27(22)42(39,40)25-7-8-25)35-31(38)41-14-12-19-3-2-4-21(15-19)28(30(36)37)34-23-5-9-26-20(16-23)11-13-33-29(26)32/h2-6,9-11,13,15-17,25,28,34H,7-8,12,14,18H2,1H3,(H2,32,33)(H,35,38)/t28-/m1/s1","","2016-11-06","2017-01-26","(5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione","2017-02-01"],["7KR","(11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione","C31 H31 N5 O4 S","c53NC(CCc6cc(C(Nc2cc1ccnc(c1cc2)N)C(N(C)Cc(c(cc3)S(C4CC4)(=O)=O)c5)=O)ccc6)=O;CN1Cc2cc(NC(=O)CCc3cccc(c3)[CH](Nc4ccc5c(N)nccc5c4)C1=O)ccc2[S](=O)(=O)C6CC6;CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)C(C1=O)Nc5ccc6c(c5)ccnc6N","InChI=1S/C31H31N5O4S/c1-36-18-22-17-23(7-11-27(22)41(39,40)25-8-9-25)34-28(37)12-5-19-3-2-4-21(15-19)29(31(36)38)35-24-6-10-26-20(16-24)13-14-33-30(26)32/h2-4,6-7,10-11,13-17,25,29,35H,5,8-9,12,18H2,1H3,(H2,32,33)(H,34,37)/t29-/m1/s1","","2016-11-06","2017-01-26","(11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione","2017-02-01"],["R0Y","(2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one","C29 H32 N6 O5","c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3)cc(c(c4)OC)OC)C5CC5)N;COc1cc2C=NN([CH](C3CC3)c2cc1OC)C(=O)C=Cc4cc(Cc5cnc(N)nc5N)cc(OC)c4OC;COc1cc(cc(c1OC)C=CC(=O)N2C(c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N","InChI=1S/C29H32N6O5/c1-37-22-12-19-15-33-35(26(17-5-6-17)21(19)13-23(22)38-2)25(36)8-7-18-9-16(11-24(39-3)27(18)40-4)10-20-14-32-29(31)34-28(20)30/h7-9,11-15,17,26H,5-6,10H2,1-4H3,(H4,30,31,32,34)/b8-7+/t26-/m0/s1","","2020-01-22","2020-06-12","(2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one","2020-06-17"],["7KS","(5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione","C34 H34 F3 N5 O5 S","c53NC(CC(c6cc(C(Nc2cc1c(cnc(c1cc2)N)F)C(N(C)Cc(c(cc3)S(C4CC4)(=O)=O)c5)=O)ccc6OCC(F)F)C)=O;C[CH]1CC(=O)Nc2ccc(c(CN(C)C(=O)[CH](Nc3ccc4c(N)ncc(F)c4c3)c5ccc(OCC(F)F)c1c5)c2)[S](=O)(=O)C6CC6;CC1CC(=O)Nc2ccc(c(c2)CN(C(=O)C(c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6","InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32-/m1/s1","","2016-11-06","2017-01-26","(5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione","2017-02-01"],["R0Z","elacridar","C34 H33 N3 O5","COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12;COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O","InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)","~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide","2020-08-25","2021-03-13","~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide","2020-10-14"],["7KT","~{N},2,4,6-tetramethylbenzenesulfonamide","C10 H15 N O2 S","CN[S](=O)(=O)c1c(C)cc(C)cc1C;Cc1cc(c(c(c1)C)S(=O)(=O)NC)C","InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3","","2016-11-07","2017-12-15","~{N},2,4,6-tetramethylbenzenesulfonamide","2017-12-20"],["R10","5-O-phosphono-D-ribonic acid","C5 H11 O9 P","O=P(O)(O)OCC(O)C(O)C(O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4-/m1/s1","","2008-06-10","2011-06-04","5-O-phosphono-D-ribonic acid",""],["7KU","1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one","C14 H19 N5 O","n3c2ncnc(NC1CCCN(C1)C(CC)=O)c2cc3;CCC(=O)N1CCC[CH](C1)Nc2ncnc3[nH]ccc23;CCC(=O)N1CCCC(C1)Nc2c3cc[nH]c3ncn2","InChI=1S/C14H19N5O/c1-2-12(20)19-7-3-4-10(8-19)18-14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t10-/m1/s1","","2016-11-07","2024-09-27","1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one","2017-02-22"],["R11","4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE","C25 H25 N7","[N@H]=C(N)c1ccc(cc1)NCc3nc2cc(ccc2n3C)Cn4c5ccccc5nc4C;Cn1c(CNc2ccc(cc2)C(N)=N)nc3cc(Cn4c(C)nc5ccccc45)ccc13;[H]N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)N","InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)","","2000-11-24","2011-06-04","4-[({1-methyl-5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-1H-benzimidazol-2-yl}methyl)amino]benzenecarboximidamide",""],["R12","(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid","C20 H24 O3","O=C(O)C=C(C=CC=C(C=Cc1c(cc(O)c(c1C)C)C)C)C;CC(=CC=CC(C)=CC(O)=O)C=Cc1c(C)cc(O)c(C)c1C;Cc1cc(c(c(c1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)O","InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+","","1999-07-08","2011-10-25","(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid",""],["7KV","1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one","C16 H21 N5 O","n2c1ncnc(c1cc2)N3CCC4C3CN(C(=O)CC)CC4;CCC(=O)N1CC[CH]2CCN([CH]2C1)c3ncnc4[nH]ccc34;CCC(=O)N1CCC2CCN(C2C1)c3c4cc[nH]c4ncn3","InChI=1S/C16H21N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,17,18,19)/t11-,13-/m0/s1","","2016-11-07","2024-09-27","1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one","2017-02-22"],["7KW","N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine","C19 H15 N5","n2c(c1ccccc1)c(cn2)c3nc(ncc3)Nc4ccccc4;[nH]1cc(c2ccnc(Nc3ccccc3)n2)c(n1)c4ccccc4;c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4","InChI=1S/C19H15N5/c1-3-7-14(8-4-1)18-16(13-21-24-18)17-11-12-20-19(23-17)22-15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,20,22,23)","","2013-08-23","2014-09-05","N-phenyl-4-(3-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine","2013-10-23"],["R13","3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL) -OCTA-2,4,6-TRIENOIC ACID","C23 H30 O2","O=C(O)C=C(C=CC=C(c1ccc2c(c1)C(CCC2(C)C)(C)C)C)C;CC(C=CC=C(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=CC(O)=O;CC(=CC(=O)O)C=CC=C(C)c1ccc2c(c1)C(CCC2(C)C)(C)C","InChI=1S/C23H30O2/c1-16(14-21(24)25)8-7-9-17(2)18-10-11-19-20(15-18)23(5,6)13-12-22(19,3)4/h7-11,14-15H,12-13H2,1-6H3,(H,24,25)/b8-7+,16-14+,17-9+","","1999-07-08","2011-06-04","(2E,4E,6E)-3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid",""],["R14","N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]","C43 H47 N11 O2","O=C(Nc1cccc(c1)c2nnn(c2)c7cc6nc3c(ccc(c3)n4nnc(c4)c5cccc(NC(=O)CCN(CC)CC)c5)cc6cc7)CCN(CC)CC;CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(NC(=O)CCN(CC)CC)c7;CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC","InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56)","triazole-acridine conjugate","2010-04-19","2021-03-01","N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]",""],["7KX","N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide","C15 H14 N4 O","n2cnc(c1cccc(c1)NC(CC)=O)c3c2ncc3;CCC(=O)Nc1cccc(c1)c2ncnc3[nH]ccc23;CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2","InChI=1S/C15H14N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h3-9H,2H2,1H3,(H,19,20)(H,16,17,18)","","2016-11-07","2024-09-27","N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide","2017-02-22"],["R15","N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)","C21 H26 Cl2 N4 O6 S2","O=S(=O)(c1cc(Cl)ccc1)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(Cl)c2;Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl","InChI=1S/C21H26Cl2N4O6S2/c22-16-8-6-10-18(14-16)34(30,31)26-20(28)24-12-4-2-1-3-5-13-25-21(29)27-35(32,33)19-11-7-9-17(23)15-19/h6-11,14-15H,1-5,12-13H2,(H2,24,26,28)(H2,25,27,29)","","2008-04-09","2011-06-04","N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)",""],["7KY","methyl 2-(2-{1-[(4-bromophenyl)methyl]-1H-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate","C20 H18 Br Cl N2 O4","COC(=O)c1c(O)cc(O)c(c1CCc2nccn2Cc3ccc(Br)cc3)Cl;COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3ccc(Br)cc3;COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O","InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3","","2016-11-07","2018-01-05","methyl 2-(2-{1-[(4-bromophenyl)methyl]-1H-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate","2018-01-10"],["R16","HEXADECANE","C16 H34","CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","","2005-04-11","2011-06-04","hexadecane",""],["7KZ","N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine","C22 H35 N5 O2","C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC;CCCCCCNc1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1;CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC","InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)","N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine","2016-11-07","2021-03-13","N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine","2016-12-21"],["R17","ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE","C22 H22 Br N O2","Brc3ccc(c1c2ccc(OC/C=C/CN(CC=C)C)cc2oc1)cc3;CN(CC=C)CC=CCOc1ccc2c(occ2c3ccc(Br)cc3)c1;CN(CC=C)CC=CCOc1ccc2c(c1)occ2c3ccc(cc3)Br","InChI=1S/C22H22BrNO2/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/b5-4+","","2002-10-13","2011-06-04","(2E)-4-{[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylbut-2-en-1-amine",""],["7L0","N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide","C14 H13 N5 O3 S","O=S(=O)(c3cc(c1cn2nc(nc2cc1)NC(=O)C)cnc3)C;CC(=O)Nc1nn2cc(ccc2n1)c3cncc(c3)[S](C)(=O)=O;CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C","InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20)","","2012-03-26","2014-09-05","N-{6-[5-(methylsulfonyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl}acetamide",""],["R18","(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE","C19 H24 O2","O=C4C=C3C(=C2C=CC1(C(CCC1(O)C)C2CC3)C)CC4;C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3C=C[C]12C;CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O","InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1","METHYLTRIENOLONE; 17BETA-HYDROXY-17METHYL-19NORANDROSTA-4,9,11-TRIEN-3-ONE; R1881","2000-06-15","2020-06-17","(17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one",""],["7L1","S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate","C23 H38 N7 O17 P3 S","C(COP(OP(OCC1C(O)C(C(O1)n2cnc3c2ncnc3N)OP(O)(O)=O)(O)=O)(O)=O)(C)(C)C(C(=O)NCCC(NCCSC(C)=O)=O)O;CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O)n2cnc3c(N)ncnc23;CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O","InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-16(33)17(46-48(36,37)38)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1","","2016-11-07","2018-07-27","S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate","2018-08-01"],["R19","ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-HEXYL-}-METHYL-AMIN","C24 H28 Br N O2","Brc3ccc(c1c2ccc(OCCCCCCN(CC=C)C)cc2oc1)cc3;CN(CCCCCCOc1ccc2c(occ2c3ccc(Br)cc3)c1)CC=C;CN(CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C","InChI=1S/C24H28BrNO2/c1-3-14-26(2)15-6-4-5-7-16-27-21-12-13-22-23(18-28-24(22)17-21)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3","","2002-10-13","2011-06-04","6-{[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine",""],["7L2","[[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C24 H34 N10 O17 P3 S","C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N=C(N)Nc45)[CH]6OC(C)(C)O[CH]26)c7N=C(N)NC(=O)c17;CC1(OC2C(OC(C2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)OP(=O)(OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C","InChI=1S/C24H33N10O17P3S/c1-24(2)48-14-9(47-21(15(14)49-24)34-7-32(3)11-17(34)29-23(26)31-19(11)38)5-45-53(41,42)51-54(43,55)50-52(39,40)44-4-8-12(35)13(36)20(46-8)33-6-27-10-16(33)28-22(25)30-18(10)37/h6-9,12-15,20-21,35-36H,4-5H2,1-3H3,(H8-,25,26,28,29,30,31,37,38,39,40,41,42,43,55)/p+1/t8-,9-,12-,13-,14-,15-,20-,21-,54+/m1/s1","","2016-11-08","2017-12-15","[[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2017-12-20"],["R1A","3-{[(2,2,5,5-TETRAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINE","C12 H21 N2 O3 S2","O=C(O)C(N)CSSCC1=CC([N+](=O)C1(C)C)(C)C;CC1(C)C=C(CSSC[CH](N)C(O)=O)C(C)(C)[N+]1=O;CC1(C=C(C([N+]1=O)(C)C)CSSCC(C(=O)O)N)C","InChI=1S/C12H20N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9H,6-7,13H2,1-4H3/p+1/t9-/m0/s1","S-(THIOMETHYL-3-[2,2,5,5-TETRAMETHYL PYRROLINE-1-OXYL]) CYSTEINE","2005-06-03","2024-09-27","3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1H-pyrrolium-3-yl)methyl]disulfanyl}-L-alanine",""],["7L3","(5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide","C13 H18 N4 O4 S3","CC(C)(c1ccc(cc1)S(=O)(=O)N=C2/SC(S(=O)(N)=O)=NN2C)C;CN1N=C(SC1=N[S](=O)(=O)c2ccc(cc2)C(C)(C)C)[S](N)(=O)=O;CC(C)(C)c1ccc(cc1)S(=O)(=O)N=C2N(N=C(S2)S(=O)(=O)N)C","InChI=1S/C13H18N4O4S3/c1-13(2,3)9-5-7-10(8-6-9)24(20,21)16-11-17(4)15-12(22-11)23(14,18)19/h5-8H,1-4H3,(H2,14,18,19)/b16-11-","","2016-11-08","2017-09-15","(5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide","2017-09-20"],["R1B","S-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate","C11 H20 N O3 S2","ON1C(C(=C(CSS(=O)(=O)C)C1(C)C)C)(C)C;CC1=C(CS[S](C)(=O)=O)C(C)(C)N([O])C1(C)C;CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C","InChI=1S/C11H21NO3S2/c1-8-9(7-16-17(6,14)15)11(4,5)12(13)10(8,2)3/h13H,7H2,1-6H3","","2005-06-09","2024-09-27","S-[(1-hydroxy-2,2,4,5,5-pentamethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",""],["7L4","2-PHENYLQUINOLIN-4-OL","C15 H11 N O","Oc1cc(nc2ccccc12)c3ccccc3;c1ccc(cc1)c2cc(c3ccccc3n2)O","InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)","","2010-11-16","2011-06-04","2-phenylquinolin-4-ol",""],["7L5","2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide","C21 H28 Cl2 F2 N4 O2 S","Clc1cc(cc(Cl)c1S(=O)(=O)N(c2c(n(nc2C)C)C)C(F)F)CCCC3CCNCC3;Cn1nc(C)c(N(C(F)F)[S](=O)(=O)c2c(Cl)cc(CCCC3CCNCC3)cc2Cl)c1C;Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl","InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3","","2014-08-12","2014-11-28","2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide","2014-12-03"],["R1C","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)","C38 H26 N6 Rh","N1=C8C(=N[Rh]173([n+]4c(c2cccc[n+]23)cccc4)[n+]5ccccc5c6cccc[n+]67)c%10c%11c(ccc%10c9ccccc89)cccc%11;c1ccc2c(c1)ccc3c4ccccc4C5=N[Rh]67(N=C5c23)([n+]8ccccc8c9cccc[n+]69)[n+]%10ccccc%10c%11cccc[n+]7%11;c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1","InChI=1S/C18H10N2.2C10H8N2.Rh/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q-2;;;+6","DELTA-Rhodium(III)- bis-(2,2'-bipyridyl)-5,6-chrysenequinone diimine","2007-07-10","2021-03-13","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)",""],["7L6","6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine","C20 H29 N5 O3","c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(CC3)C)N4CCOCC4;COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4;CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC","InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)","","2016-11-08","2017-02-17","6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine","2017-02-22"],["R1D","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide","C21 H18 F3 N3 O5","COc1c(ccc(c1)CCNC(C=3N=C(c2ccccc2C(F)(F)F)NC(C=3O)=O)=O)O;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3C(F)(F)F)ccc1O;COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O","InChI=1S/C21H18F3N3O5/c1-32-15-10-11(6-7-14(15)28)8-9-25-19(30)16-17(29)20(31)27-18(26-16)12-4-2-3-5-13(12)21(22,23)24/h2-7,10,28-29H,8-9H2,1H3,(H,25,30)(H,26,27,31)","","2020-01-23","2021-02-05","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide","2021-02-10"],["R1E","trans-4,4-difluorocyclopentane-1,2-diol","C5 H8 F2 O2","O[CH]1CC(F)(F)C[CH]1O;C1C(C(CC1(F)F)O)O","InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m0/s1","(1~{S},2~{S})-4,4-bis(fluoranyl)cyclopentane-1,2-diol","2020-08-25","2021-06-11","(1~{S},2~{S})-4,4-bis(fluoranyl)cyclopentane-1,2-diol","2021-06-16"],["7L7","methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate","C13 H9 F N2 O3 S","COC(=O)C(C#N)=C1SCC(=O)N1c2ccccc2F;COC(=O)C(=C1N(C(=O)CS1)c2ccccc2F)C#N","InChI=1S/C13H9FN2O3S/c1-19-13(18)8(6-15)12-16(11(17)7-20-12)10-5-3-2-4-9(10)14/h2-5H,7H2,1H3/b12-8-","","2016-11-18","2017-07-21","methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate","2017-07-26"],["R1F","S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate","C16 H22 N O3 S2","ON1C(C(=C(CSS(=O)(=O)C)C1(C)C)c2ccccc2)(C)C;CC1(C)N([O])C(C)(C)C(=C1CS[S](C)(=O)=O)c2ccccc2;CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C","InChI=1S/C16H23NO3S2/c1-15(2)13(11-21-22(5,19)20)14(16(3,4)17(15)18)12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3","","2005-06-03","2024-09-27","S-[(1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",""],["7L8","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol","C29 H31 F N6 O2","CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21;CN1CCC[CH]1COc2nc(N3C[CH]4CC[CH](C3)N4)c5cnc(c(F)c5n2)c6cc(O)cc7ccccc67;CN1CCCC1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6CC7CCC(C6)N7","InChI=1S/C29H31FN6O2/c1-35-10-4-6-20(35)16-38-29-33-27-24(28(34-29)36-14-18-8-9-19(15-36)32-18)13-31-26(25(27)30)23-12-21(37)11-17-5-2-3-7-22(17)23/h2-3,5,7,11-13,18-20,32,37H,4,6,8-10,14-16H2,1H3/t18-,19+,20-/m0/s1","","2021-08-13","2021-12-17","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol","2021-12-22"],["R1G","1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine","C14 H17 F3 N2 O3 S","C(c1ccc(OC(F)(F)F)cc1)N2CCN(CC2)S([C@H]=C)(=O)=O;FC(F)(F)Oc1ccc(CN2CCN(CC2)[S](=O)(=O)C=C)cc1;C=CS(=O)(=O)N1CCN(CC1)Cc2ccc(cc2)OC(F)(F)F","InChI=1S/C14H17F3N2O3S/c1-2-23(20,21)19-9-7-18(8-10-19)11-12-3-5-13(6-4-12)22-14(15,16)17/h2-6H,1,7-11H2","","2020-01-23","2025-08-08","1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine","2025-08-13"],["7L9","4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid","C14 H9 N O6","O=C(O)c1cccc(c1)c2c(cnc(c2)C(O)=O)C(=O)O;OC(=O)c1cccc(c1)c2cc(ncc2C(O)=O)C(O)=O;c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O","InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)","","2016-11-09","2018-06-08","4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid","2018-06-13"],["7LB","(E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine","C17 H20 N2 O","CNC(C[C@H]=Cc1cncc(c1)Oc2ccccc2)C;CN[CH](C)CC=Cc1cncc(Oc2ccccc2)c1;CC(CC=Cc1cc(cnc1)Oc2ccccc2)NC","InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1","(2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine","2016-11-09","2020-06-17","(2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine","2016-11-30"],["R1H","tariquidar","C38 H38 N4 O6","COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC;COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC","InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)","~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide","2020-08-25","2021-03-13","~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide","2020-10-14"],["7LD","(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide","C20 H25 N3 O","n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C;CCN(CC)C(=O)[CH]1CN(C)[CH]2Cc3c[nH]c4cccc(C2=C1)c34;CCN(CC)C(=O)C1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C","InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1","Lysergic acid diethylamide","2016-11-10","2022-09-27","(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide","2017-02-01"],["R1I","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H22 Cl N3 O2","Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CCOC;COCCN1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;COCCN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C22H22ClN3O2/c1-28-9-8-26-13-16-6-7-17(23)10-19(16)20(14-26)22(27)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,25,27)/t20-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["R1J","(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(prop-2-yn-1-yl)oxy]methyl}piperazine","C18 H20 F4 N2 O4 S","c1(F)c(ccc(c1)CN2CCN(CC2COCC#C)S(/C=C)(=O)=O)OC(F)(F)F;Fc1cc(CN2CCN(C[CH]2COCC#C)[S](=O)(=O)C=C)ccc1OC(F)(F)F;C=CS(=O)(=O)N1CCN(C(C1)COCC#C)Cc2ccc(c(c2)F)OC(F)(F)F","InChI=1S/C18H20F4N2O4S/c1-3-9-27-13-15-12-24(29(25,26)4-2)8-7-23(15)11-14-5-6-17(16(19)10-14)28-18(20,21)22/h1,4-6,10,15H,2,7-9,11-13H2/t15-/m1/s1","","2020-01-23","2025-08-08","(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(prop-2-yn-1-yl)oxy]methyl}piperazine","2025-08-13"],["7LE","(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid","C20 H32 O4","[C@H](CC=C/CC(O)C(CC=[C@H]CC)O)=[C@H]C[C@H]=CCCCC(=O)O;CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O;CCC=CCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O","InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3-,13-10-/t18-,19-/m1/s1","","2016-11-10","2024-09-27","(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid","2017-10-11"],["R1L","(2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile","C36 H40 F N9 O3","c2(cc(Oc1ccccc1)ccc2c3c7c(n(n3)C4CCCN(C4)C(C(C#N)=[C@H]C(C)(C)N5CCN(CC5)C6COC6)=O)ncnc7N)F;CC(C)(C=C(C#N)C(=O)N1CCC[CH](C1)n2nc(c3ccc(Oc4ccccc4)cc3F)c5c(N)ncnc25)N6CCN(CC6)C7COC7;CC(C)(C=C(C#N)C(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4F)Oc5ccccc5)c(ncn3)N)N6CCN(CC6)C7COC7","InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1","Rilzabrutinib","2020-12-23","2024-09-27","(2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile","2022-06-29"],["7LF","1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium","C22 H18 F N2 O","[n+]3(c(c1ccc(F)cc1)c2cccn2cc3)CC(=O)c4ccc(cc4)C;Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(F)cc4;Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F","InChI=1S/C22H18FN2O/c1-16-4-6-17(7-5-16)21(26)15-25-14-13-24-12-2-3-20(24)22(25)18-8-10-19(23)11-9-18/h2-14H,15H2,1H3/q+1","","2016-11-10","2017-02-24","1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium","2017-03-01"],["R1M","1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine","C14 H16 F4 N2 O3 S","C1N(CCN(C1)S(/C=C)(=O)=O)Cc2ccc(c(c2)F)OC(F)(F)F;Fc1cc(CN2CCN(CC2)[S](=O)(=O)C=C)ccc1OC(F)(F)F;C=CS(=O)(=O)N1CCN(CC1)Cc2ccc(c(c2)F)OC(F)(F)F","InChI=1S/C14H16F4N2O3S/c1-2-24(21,22)20-7-5-19(6-8-20)10-11-3-4-13(12(15)9-11)23-14(16,17)18/h2-4,9H,1,5-8,10H2","","2020-01-23","2025-08-08","1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine","2025-08-13"],["7LG","(2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid","C43 H66 F N5 O7 S","CCCCCCN([CH](C[CH](OC(C)=O)c1scc(n1)C(=O)N[CH](C[CH](C)C(O)=O)Cc2ccc(F)cc2)C(C)C)C(=O)[CH](NC(=O)[CH]3CCCCN3C)[CH](C)CC;CCCCCCN(C(CC(c1nc(cs1)C(=O)NC(Cc2ccc(cc2)F)CC(C)C(=O)O)OC(=O)C)C(C)C)C(=O)C(C(C)CC)NC(=O)C3CCCCN3C","InChI=1S/C43H66FN5O7S/c1-9-11-12-14-22-49(42(53)38(28(5)10-2)47-40(52)35-16-13-15-21-48(35)8)36(27(3)4)25-37(56-30(7)50)41-46-34(26-57-41)39(51)45-33(23-29(6)43(54)55)24-31-17-19-32(44)20-18-31/h17-20,26-29,33,35-38H,9-16,21-25H2,1-8H3,(H,45,51)(H,47,52)(H,54,55)/t28-,29-,33+,35+,36+,37+,38-/m0/s1","","2016-11-18","2017-11-17","(2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid","2017-11-22"],["R1N","2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole","C19 H25 Cl N2 Rh","CC1C(C)C(C)C(C)C1C.Cn2c([Rh]Cl)[n](C)c3ccccc23;CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C","InChI=1S/C10H15.C9H10N2.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;1-10-7-11(2)9-6-4-3-5-8(9)10;;/h1-5H3;3-6H,1-2H3;1H;/q;;;+1/p-1","","2019-07-03","2020-11-20","2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole","2020-11-25"],["7LH","(1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","C16 H20 O9","O[CH]1C[C](O)(C[CH](OC(=O)CCc2ccc(O)c(O)c2)[CH]1O)C(O)=O;c1cc(c(cc1CCC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O)O","InChI=1S/C16H20O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1,3,5,11-12,14,17-19,21,24H,2,4,6-7H2,(H,22,23)/t11-,12-,14+,16-/m1/s1","","2016-11-24","2017-07-21","(1~{R},3~{R},4~{S},5~{R})-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","2017-07-26"],["R1O","N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine","C14 H24 N3 O7 P","Oc1c(CNC(CCCCN)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCCN)C(=O)O)O","InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1","","2022-06-15","2024-09-27","N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine","2022-11-16"],["7LI","(5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione","C18 H23 N3 O3 S","O=C1C(SC(=O)N1)=Cc2cccc(OC(C)C)c2N3CCCC(N)C3;CC(C)Oc1cccc(C=C2SC(=O)NC2=O)c1N3CCC[CH](N)C3;CC(C)Oc1cccc(c1N2CCCC(C2)N)C=C3C(=O)NC(=O)S3","InChI=1S/C18H23N3O3S/c1-11(2)24-14-7-3-5-12(9-15-17(22)20-18(23)25-15)16(14)21-8-4-6-13(19)10-21/h3,5,7,9,11,13H,4,6,8,10,19H2,1-2H3,(H,20,22,23)/b15-9-/t13-/m1/s1","","2012-02-22","2012-07-06","(5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione",""],["7LK","1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile","C19 H19 N5","c1cnc2c(c1C#N)cc(n2C)c3ccc(cc3)N4CCNCC4;Cn1c(cc2c(ccnc12)C#N)c3ccc(cc3)N4CCNCC4;Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4","InChI=1S/C19H19N5/c1-23-18(12-17-15(13-20)6-7-22-19(17)23)14-2-4-16(5-3-14)24-10-8-21-9-11-24/h2-7,12,21H,8-11H2,1H3","","2016-11-11","2017-10-06","1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile","2017-10-11"],["R1P","1-O-phosphono-alpha-D-ribofuranose","C5 H11 O8 P","O=P(OC1OC(C(O)C1O)CO)(O)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)OP(=O)(O)O)O)O)O","InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1","RIBOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-ribose; 1-O-phosphono-D-ribose; 1-O-phosphono-ribose","1999-07-08","2020-07-17","1-O-phosphono-alpha-D-ribofuranose",""],["R1Q","vincristine","C46 H56 N4 O10","CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1;CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O","InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1","","2020-08-25","2020-10-16","","2020-10-21"],["7LL","2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","C18 H14 N2 O3","c3(C(=O)NN=[C@H]c1c(O)ccc2c1cccc2)ccccc3O;Oc1ccccc1C(=O)NN=Cc2c(O)ccc3ccccc23;c1ccc2c(c1)ccc(c2C=NNC(=O)c3ccccc3O)O","InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11-","","2016-11-11","2017-07-28","2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","2017-08-02"],["R1R","[2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium","C32 H49 F N7 O5 S2","CC(C)[CH]1COC(=O)N1c2nc(N[CH](C)c3ccc(cc3)N4CCC(CC4)N[S](=O)(=O)CCSCC(C[N+](C)(C)C)C=O)ncc2F;CC(C)C1COC(=O)N1c2c(cnc(n2)NC(C)c3ccc(cc3)N4CCC(CC4)NS(=O)(=O)CCSCC(C[N+](C)(C)C)C=O)F","InChI=1S/C32H49FN7O5S2/c1-22(2)29-20-45-32(42)39(29)30-28(33)17-34-31(36-30)35-23(3)25-7-9-27(10-8-25)38-13-11-26(12-14-38)37-47(43,44)16-15-46-21-24(19-41)18-40(4,5)6/h7-10,17,19,22-24,26,29,37H,11-16,18,20-21H2,1-6H3,(H,34,35,36)/q+1/t23-,24?,29+/m0/s1","","2022-11-22","2024-09-27","[2-[2-[[1-[4-[(1~{S})-1-[[5-fluoranyl-4-[(4~{S})-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium","2023-05-24"],["7LM","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide","C36 H63 N O9","C1(OC(C(O)C(C1O)O)OCC(NC(CCCCCCC)=O)C(O)C(O)CCCCCCCCCCCCc2ccccc2)CO;CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCc2ccccc2;CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCc2ccccc2)O)O","InChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1","","2016-11-14","2017-09-15","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide","2017-09-20"],["7LN","N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide","C27 H29 N5 O2 S2","N(/c1cc(ccc1)COCC(OCc3cccc(NC(=[N@H])c2sccc2)c3)CN)=C(N)c4sccc4;NC[CH](COCc1cccc(c1)N=C(N)c2sccc2)OCc3cccc(NC(=N)c4sccc4)c3;c1cc(cc(c1)NC(=N)c2cccs2)COC(CN)COCc3cccc(c3)N=C(c4cccs4)N","InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1","","2014-06-17","2014-08-15","N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide","2014-08-20"],["R1S","N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide","C15 H9 Cl N2 O2 S3","O=S(=O)(c1c2ccccc2sc1)Nc3nc4ccc(Cl)cc4s3;Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1;c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl","InChI=1S/C15H9ClN2O2S3/c16-9-5-6-11-13(7-9)22-15(17-11)18-23(19,20)14-8-21-12-4-2-1-3-10(12)14/h1-8H,(H,17,18)","","2014-11-06","2014-12-12","N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide","2014-12-17"],["R1T","2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE","C15 H23 N3 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C;C[CH](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)c1Cc2cnc(C)nc2N;Cc1c(sc(c1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m1/s1","2-[(1R)-1-HYDROXYETHYL]-3-DEAZA-THDP","2007-06-18","2021-03-01","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate",""],["7LO","[[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C22 H32 N10 O17 P3 Se","CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P]([SeH])(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)O[CH]1n5c[n+](C)c6c(O)nc(N)nc56;C[n+]1cn(c2c1c(nc(n2)N)O)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC","InChI=1S/C22H31N10O17P3Se/c1-30-6-32(16-10(30)18(37)29-22(24)27-16)20-14(43-2)12(34)8(47-20)4-45-51(40,41)49-52(42,53)48-50(38,39)44-3-7-11(33)13(35)19(46-7)31-5-25-9-15(31)26-21(23)28-17(9)36/h5-8,11-14,19-20,33-35H,3-4H2,1-2H3,(H8-,23,24,26,27,28,29,36,37,38,39,40,41,42,53)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-,52+/m1/s1","","2016-11-14","2017-12-15","[[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2017-12-20"],["7LP","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide","C34 H58 N2 O10","C(CCCCC)CC(=O)NC(COC1OC(C(O)C(O)C1O)CO)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O;CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2;CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O","InChI=1S/C34H58N2O10/c1-2-3-4-5-12-19-29(40)36-25(23-45-34-33(44)32(43)31(42)27(22-37)46-34)30(41)26(38)18-14-20-28(39)35-21-13-7-6-9-15-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30-34,37-38,41-44H,2-7,9,12-15,18-23H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,30-,31-,32-,33+,34-/m0/s1","","2016-11-14","2017-09-15","(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)","2017-09-20"],["R1U","2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide","C15 H13 Cl N4 O","Clc1cccc(c1)CC(=O)Nc1cncc2cnn(C)c12;Cn1ncc2cncc(NC(=O)Cc3cccc(Cl)c3)c12;Cn1c2c(cncc2NC(=O)Cc3cccc(c3)Cl)cn1","InChI=1S/C15H13ClN4O/c1-20-15-11(8-18-20)7-17-9-13(15)19-14(21)6-10-3-2-4-12(16)5-10/h2-5,7-9H,6H2,1H3,(H,19,21)","","2023-08-21","2023-11-03","2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide","2023-11-08"],["R1V","N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid","C15 H25 N O4","CC(C)=[C@H]CCC(C)=[C@H]CNC(C(O)=O)CCC(=O)O;CC(C)=CCCC(C)=CCN[CH](CCC(O)=O)C(O)=O;CC(=CCCC(=CCNC(CCC(=O)O)C(=O)O)C)C","InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1","","2020-01-23","2020-04-03","N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid","2020-04-08"],["7LQ","(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol","C7 H12 O3","OC[CH]1CC=C[CH](O)[CH]1O;C1C=CC(C(C1CO)O)O","InChI=1S/C7H12O3/c8-4-5-2-1-3-6(9)7(5)10/h1,3,5-10H,2,4H2/t5-,6-,7-/m1/s1","","2016-11-15","2017-01-06","(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol","2017-01-11"],["R1W","~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide","C28 H30 Cl N5 O","CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5;CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl","InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35)","","2020-08-25","2024-09-27","~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide","2022-02-23"],["7LR","N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide","C18 H19 Cl N6 O4 S","C[S](=O)(=O)N(CC(N)=O)c1cc(Cl)cc(CC(=O)Nc2ccc3nc(N)[nH]c3c2)c1;CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N","InChI=1S/C18H19ClN6O4S/c1-30(28,29)25(9-16(20)26)13-5-10(4-11(19)7-13)6-17(27)22-12-2-3-14-15(8-12)24-18(21)23-14/h2-5,7-8H,6,9H2,1H3,(H2,20,26)(H,22,27)(H3,21,23,24)","","2016-12-13","2017-06-16","~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-[3-[(2-azanyl-2-oxidanylidene-ethyl)-methylsulfonyl-amino]-5-chloranyl-phenyl]ethanamide","2017-06-21"],["R1X","1,4-anhydro-D-ribitol","C5 H10 O4","OCC1OCC(O)C1O;OC[CH]1OC[CH](O)[CH]1O;C1C(C(C(O1)CO)O)O","InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1","1-deoxyribose","2008-10-03","2020-07-17","1,4-anhydro-D-ribitol",""],["7LS","2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one","C23 H22 N4 O7","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=CC(=NC2=O)Nc3ccc4Nc5ccccc5C(=O)c4c3;c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)C5C(C(C(C(O5)CO)O)O)O","InChI=1S/C23H22N4O7/c28-10-16-19(30)20(31)21(32)22(34-16)27-8-7-17(26-23(27)33)24-11-5-6-15-13(9-11)18(29)12-3-1-2-4-14(12)25-15/h1-9,16,19-22,28,30-32H,10H2,(H,25,29)(H,24,26,33)/t16-,19-,20+,21-,22-/m1/s1","","2016-11-16","2017-11-24","2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one","2017-11-29"],["R1Y","1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide","C8 H13 N5 O4","N=C(N)c1ncn(n1)C1OC(CO)C(O)C1O;NC(=N)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O;c1nc(nn1C2C(C(C(O2)CO)O)O)C(=N)N","InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1","","2022-06-15","2022-09-02","1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide","2022-09-07"],["7LT","(5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone","C44 H49 Cl2 N5 O4","CN1CCCN[CH](CC(=O)N[CH]2CCc3ccccc3[N](CC(=O)N[CH](CC1=O)Cc4ccc(Cl)c(CCc5ccccc5)c4)C2=O)Cc6ccc(Cl)cc6;CN1CCCNC(CC(=O)NC2CCc3ccccc3N(C2=O)CC(=O)NC(CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl","InChI=1S/C44H49Cl2N5O4/c1-50-23-7-22-47-36(25-31-13-18-35(45)19-14-31)27-41(52)49-39-21-17-33-10-5-6-11-40(33)51(44(39)55)29-42(53)48-37(28-43(50)54)26-32-15-20-38(46)34(24-32)16-12-30-8-3-2-4-9-30/h2-6,8-11,13-15,18-20,24,36-37,39,47H,7,12,16-17,21-23,25-29H2,1H3,(H,48,53)(H,49,52)/t36-,37+,39-/m0/s1","","2016-11-16","2017-01-13","(5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone","2017-01-18"],["7LU","2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one","C15 H9 Cl O5","Oc1ccc(cc1O)C2=CC(=O)c3c(O)cc(Cl)cc3O2;c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O","InChI=1S/C15H9ClO5/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,17-19H","","2015-11-10","2016-04-15","2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one","2016-04-20"],["R1Z","Delta-[Ru(bpy)2dppz]2+","C38 H26 N8 Ru","n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%11ccccn%11%12;[Ru]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12ccccc%12nc9%11;c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36","InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;","","2012-03-15","2013-02-14","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)ruthenium",""],["7LV","9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1H)-one","C26 H29 Cl2 N5 O2","CN(CC1CCC(CC1)N5c4c3nc(c2cc(c(O)c(Cl)c2)Cl)ccc3ncc4CN(C5=O)C)C;CN(C)C[CH]1CC[CH](CC1)N2C(=O)N(C)Cc3cnc4ccc(nc4c23)c5cc(Cl)c(O)c(Cl)c5;CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl","InChI=1S/C26H29Cl2N5O2/c1-31(2)13-15-4-6-18(7-5-15)33-24-17(14-32(3)26(33)35)12-29-22-9-8-21(30-23(22)24)16-10-19(27)25(34)20(28)11-16/h8-12,15,18,34H,4-7,13-14H2,1-3H3/t15-,18-","","2016-11-15","2017-11-10","9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1H)-one","2017-11-15"],["R20","4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE","C9 H9 N3","n1nncc1c2cc(ccc2)C;Cc1cccc(c1)c2c[nH]nn2;Cc1cccc(c1)c2c[nH]nn2","InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)","","2005-08-05","2011-06-04","4-(3-methylphenyl)-1H-1,2,3-triazole",""],["R21","2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide","C16 H17 Cl N2 O4 S","Clc1cc(ccc1O)CC(=O)NCCc2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1;c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N","InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)","2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide","2010-06-14","2021-03-01","2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide",""],["7LW","(5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone","C37 H43 Cl2 N5 O6 S","CN1CCCN[CH](CC(=O)N[CH]2CCc3ccccc3[N](CC(=O)N[CH](CC1=O)Cc4ccc(Cl)c(Cl)c4)C2=O)Cc5ccc(cc5)[S](C)(=O)=O;CN1CCCNC(CC(=O)NC2CCc3ccccc3N(C2=O)CC(=O)NC(CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C","InChI=1S/C37H43Cl2N5O6S/c1-43-17-5-16-40-27(18-24-8-12-29(13-9-24)51(2,49)50)21-34(45)42-32-15-11-26-6-3-4-7-33(26)44(37(32)48)23-35(46)41-28(22-36(43)47)19-25-10-14-30(38)31(39)20-25/h3-4,6-10,12-14,20,27-28,32,40H,5,11,15-19,21-23H2,1-2H3,(H,41,46)(H,42,45)/t27-,28+,32-/m0/s1","","2016-11-16","2017-01-13","(5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone","2017-01-18"],["R22","4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE","C20 H20 I N O3 S","O=C2NC(=C(C(Oc1cc(cc(c1)C)C)=C2I)CSCc3occc3)C;CC1=C(CSCc2occc2)C(=C(I)C(=O)N1)Oc3cc(C)cc(C)c3;Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C","InChI=1S/C20H20INO3S/c1-12-7-13(2)9-16(8-12)25-19-17(14(3)22-20(23)18(19)21)11-26-10-15-5-4-6-24-15/h4-9H,10-11H2,1-3H3,(H,22,23)","","2005-11-03","2011-06-04","4-(3,5-dimethylphenoxy)-5-{[(furan-2-ylmethyl)sulfanyl]methyl}-3-iodo-6-methylpyridin-2(1H)-one",""],["7LX","(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid","C20 H20 N2 O4","CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O;CCOc1ccc(cc1OC)C(C(=O)O)Nc2ccc3cnccc3c2","InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1","2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid","2016-12-13","2021-03-01","(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid","2017-06-21"],["7LY","2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide","C27 H26 N4 O2","c5(NC(c3ccc(c1cnnc1)cc3OCc2ccccc2)=O)ccc4c(CCNCC4)c5;O=C(Nc1ccc2CCNCCc2c1)c3ccc(cc3OCc4ccccc4)c5c[nH]nc5;c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5","InChI=1S/C27H26N4O2/c32-27(31-24-8-6-20-10-12-28-13-11-22(20)14-24)25-9-7-21(23-16-29-30-17-23)15-26(25)33-18-19-4-2-1-3-5-19/h1-9,14-17,28H,10-13,18H2,(H,29,30)(H,31,32)","","2016-11-15","2017-11-17","2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide","2017-11-22"],["R23","METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER","C26 H33 Cl N2 O2","Clc4ccc(OC(=O)N(C)C3CCC(c1ccc(cc1)CN2CCCCC2)CC3)cc4;CN([CH]1CC[CH](CC1)c2ccc(CN3CCCCC3)cc2)C(=O)Oc4ccc(Cl)cc4;CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl","InChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-","","2002-10-27","2011-06-04","4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate",""],["R24","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea","C30 H29 N7 O3","[O-][N+](=O)c5cc1c(nccc1Nc2cccc(c2)NC(=O)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C)cc5;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3cccc(Nc4ccnc5ccc(cc45)[N+]([O-])=O)c3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-]","InChI=1S/C30H29N7O3/c1-19-8-10-22(11-9-19)36-28(18-27(35-36)30(2,3)4)34-29(38)33-21-7-5-6-20(16-21)32-26-14-15-31-25-13-12-23(37(39)40)17-24(25)26/h5-18H,1-4H3,(H,31,32)(H2,33,34,38)","","2009-06-17","2011-06-04","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea",""],["7LZ","(3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one","C32 H52 O6","C[CH]1CC[CH](O)[CH](C)[CH](OC(=O)C=CC=C[CH](C)[CH](O)C[CH](O)C=C[CH](C)[CH](O)[CH](C)C1)[CH](C)C=CC=C;CC1CCC(C(C(OC(=O)C=CC=CC(C(CC(C=CC(C(C(C1)C)O)C)O)O)C)C(C)C=CC=C)C)O","InChI=1S/C32H52O6/c1-8-9-12-24(5)32-26(7)28(34)18-15-21(2)19-25(6)31(37)23(4)16-17-27(33)20-29(35)22(3)13-10-11-14-30(36)38-32/h8-14,16-17,21-29,31-35,37H,1,15,18-20H2,2-7H3/b12-9-,13-10+,14-11-,17-16-/t21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32-/m0/s1","","2016-11-18","2017-09-15","(3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one","2017-09-20"],["7M0","5,6-DIBROMOBENZOTRIAZOLE","C6 H3 Br2 N3","Brc1cc2[nH]nnc2cc1Br;c1c2c(cc(c1Br)Br)nn[nH]2","InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)","DIBROMO-2-BENZOTRIAZOLE","2016-11-18","2021-03-01","5,6-bis(bromanyl)-1~{H}-benzotriazole","2018-01-17"],["R25","propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate","C29 H34 N6 O3","COc1cc(ccc1Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34)N5CCC(N)CC5;CC(C)OC(=O)c1cnc(nc1c2cn(c3c2cccc3)C)Nc4ccc(cc4OC)N5CCC(CC5)N","InChI=1S/C29H34N6O3/c1-18(2)38-28(36)22-16-31-29(33-27(22)23-17-34(3)25-8-6-5-7-21(23)25)32-24-10-9-20(15-26(24)37-4)35-13-11-19(30)12-14-35/h5-10,15-19H,11-14,30H2,1-4H3,(H,31,32,33)","","2020-08-26","2023-04-28","propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate","2023-05-03"],["7M1","phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate","C24 H18 O5 S","Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccccc2)ccc3c4ccc(cc4)O;Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4;c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O","InChI=1S/C24H18O5S/c25-19-10-6-17(7-11-19)23-15-14-22(16-24(23)18-8-12-20(26)13-9-18)30(27,28)29-21-4-2-1-3-5-21/h1-16,25-26H","","2016-11-16","2017-01-13","phenyl 1~4~,3~4~-dihydroxy[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-sulfonate","2017-01-18"],["R26","3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","C18 H11 F3 N4 O2","FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(C#N)cc3;OC(=O)c1nc2ccc(cc2nc1NCc3ccc(cc3)C#N)C(F)(F)F;c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N","InChI=1S/C18H11F3N4O2/c19-18(20,21)12-5-6-13-14(7-12)25-16(15(24-13)17(26)27)23-9-11-3-1-10(8-22)2-4-11/h1-7H,9H2,(H,23,25)(H,26,27)","","2014-04-04","2014-12-05","3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","2014-12-10"],["R27","N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide","C46 H73 N3 O12","C4C(C=C(/C)C3C(C)C(CC(=NNC(=O)C)C(C=C(CC(C)CC(OC)C1C(OC)CC(C(O1)(O)C(C(N2C(CCCC2)C(O3)=O)=O)=O)C)C)C[C@H]=C)O)CCC(C4OC)O;CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC=C)C(C[CH](O)[CH]2C)=NNC(C)=O)C)OC)[CH](C[CH]4C)OC;CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=NNC(=O)C)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC","InChI=1S/C46H73N3O12/c1-11-14-33-20-26(2)19-27(3)21-39(58-9)42-40(59-10)23-29(5)46(56,61-42)43(53)44(54)49-18-13-12-15-35(49)45(55)60-41(30(6)37(52)25-34(33)48-47-31(7)50)28(4)22-32-16-17-36(51)38(24-32)57-8/h11,20,22,27,29-30,32-33,35-42,51-52,56H,1,12-19,21,23-25H2,2-10H3,(H,47,50)/b26-20+,28-22+,48-34-/t27-,29+,30+,32-,33+,35-,36+,37-,38+,39-,40-,41+,42+,46+/m0/s1","APX879","2020-01-23","2021-03-01","N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide","2020-12-16"],["7M2","(4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline","C16 H13 N3","N1[CH](c2cccnc2)c3cccn3c4ccccc14;c1ccc-2c(c1)NC(c3n2ccc3)c4cccnc4","InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H/t16-/m1/s1","","2016-11-18","2016-12-22","(4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline","2016-12-28"],["7M3","7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine","C19 H21 N3 O","CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1;CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N","InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)","","2015-08-20","2015-10-23","7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine","2015-10-28"],["R28","propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate","C32 H41 N7 O4","CCC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C;CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C","InChI=1S/C32H41N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h10-13,16-20H,9,14-15H2,1-8H3,(H,34,40)(H,33,35,36)","Mobocertinib, bound form","2020-08-26","2024-09-27","propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate","2022-02-23"],["R29","1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea","C15 H16 B N2 O4","O[B-]1(O)OCc2ccc(NC(=O)NCc3ccccc3)cc12;[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O","InChI=1S/C15H16BN2O4/c19-15(17-9-11-4-2-1-3-5-11)18-13-7-6-12-10-22-16(20,21)14(12)8-13/h1-8,20-21H,9-10H2,(H2,17,18,19)/q-1","","2019-06-03","2019-10-18","1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea","2019-08-28"],["7M4","6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid","C30 H27 Br O7 S","C2(=C(c1ccc(cc1)O)C3CC(C2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)[C@H]=CCCCC(=O)O;OC(=O)CCCC=Cc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5;c1cc(ccc1C=CCCCC(=O)O)C2=C(C3CC(C2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O","InChI=1S/C30H27BrO7S/c31-22-12-16-24(17-13-22)38-39(35,36)26-18-25-28(20-10-14-23(32)15-11-20)29(30(26)37-25)21-8-6-19(7-9-21)4-2-1-3-5-27(33)34/h2,4,6-17,25-26,30,32H,1,3,5,18H2,(H,33,34)/t25-,26-,30+/m0/s1","","2016-11-16","2017-01-13","6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid","2017-01-18"],["R2A","(2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid","C46 H39 N3 O8","c2(oc1ccc(cc1c2CC(O)=O)C)C#Cc7cc(C(N6CCN(CCNC(=O)c5cc(C#Cc4c(CC(O)=O)c3cc(C)ccc3o4)ccc5)CC6)=O)ccc7;Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6oc7ccc(C)cc7c6CC(O)=O)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O","InChI=1S/C46H39N3O8/c1-29-9-13-39-35(23-29)37(27-43(50)51)41(56-39)15-11-31-5-3-7-33(25-31)45(54)47-17-18-48-19-21-49(22-20-48)46(55)34-8-4-6-32(26-34)12-16-42-38(28-44(52)53)36-24-30(2)10-14-40(36)57-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,54)(H,50,51)(H,52,53)","","2020-01-24","2021-01-22","(2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid","2021-01-27"],["7M5","4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline","C16 H11 N3","c1ccc2n3cccc3c(nc2c1)c4cccnc4;c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4","InChI=1S/C16H11N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11H","","2016-11-18","2016-12-22","4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline","2016-12-28"],["R2B","1,4-anhydro-D-erythro-pent-1-enitol","C5 H8 O4","OC1=COC(CO)C1O;OC[CH]1OC=C(O)[CH]1O;C1=C(C(C(O1)CO)O)O","InChI=1S/C5H8O4/c6-1-4-5(8)3(7)2-9-4/h2,4-8H,1H2/t4-,5+/m1/s1","","2005-05-11","2020-07-17","1,4-anhydro-D-erythro-pent-1-enitol",""],["7M6","7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide","C9 H10 Cl F N2 O2 S","FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12;c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF","InChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2","","2016-11-18","2017-04-07","7-chloranyl-4-(2-fluoranylethyl)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide","2017-04-12"],["7M7","4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate","C24 H17 Br O5 S","Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccc(cc2)Br)ccc3c4ccc(cc4)O;Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccc(Br)cc4;c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O","InChI=1S/C24H17BrO5S/c25-18-5-11-21(12-6-18)30-31(28,29)22-13-14-23(16-1-7-19(26)8-2-16)24(15-22)17-3-9-20(27)10-4-17/h1-15,26-27H","","2016-11-16","2017-01-13","4-bromophenyl 1~4~,3~4~-dihydroxy[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-sulfonate","2017-01-18"],["R2C","5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID","C20 H17 N O4","O=C(O)c3cc(OC)ccc3Nc2ccc(Oc1ccccc1)cc2;COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O;COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3","InChI=1S/C20H17NO4/c1-24-17-11-12-19(18(13-17)20(22)23)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)","","2007-05-29","2011-06-04","5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid",""],["R2D","[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid","C17 H11 Cl N2 O2 S","c32n(c1ccccc1n2)c(c(CC(=O)O)s3)c4ccc(cc4)Cl;OC(=O)Cc1sc2nc3ccccc3n2c1c4ccc(Cl)cc4;c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl","InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)","","2020-01-27","2020-05-08","[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid","2020-05-13"],["7M8","6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione","C25 H23 N3 O4","CN1C(=O)N(C)c2cc(N3C(=O)c4cccc5c(CCCO)ccc(C3=O)c45)c(C)cc12;Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C","InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3","","2016-11-20","2017-04-28","6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione","2017-05-03"],["R2E","1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one","C23 H23 Cl2 F N4 O3","CCC(=O)N1CCC(CC1)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC;CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl","InChI=1S/C23H23Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28,29)","Poziotinib, bound form","2020-08-26","2024-09-27","1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one","2022-02-23"],["7M9","1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol","C21 H14 N2 O","Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35;c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O","InChI=1S/C21H14N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,24H","","2016-11-20","2016-12-22","1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol","2016-12-28"],["R2F","2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","C41 H53 N5 O9","CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5;CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)COC6C(C(C(C(O6)C)O)O)O)N(CC)CC","InChI=1S/C41H53N5O9/c1-6-44(7-2)28-14-16-32-34(22-28)55-35-23-29(45(8-3)9-4)15-17-33(35)36(32)30-12-10-11-13-31(30)40(50)52-21-20-51-19-18-46-24-27(42-43-46)25-53-41-39(49)38(48)37(47)26(5)54-41/h10-17,22-24,26,36-39,41,47-49H,6-9,18-21,25H2,1-5H3/t26-,37+,38+,39-,41+/m0/s1","","2021-03-03","2021-04-09","2-[2-[4-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9~{H}-xanthen-9-yl]benzoate","2021-04-14"],["7MA","N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide","C23 H26 N4 O4 S","CCN(Cc1cccnc1)C(=O)CN(c2ccc(OC)nc2)[S](=O)(=O)c3ccccc3C;CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C","InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3","","2016-11-30","2017-11-24","~{N}-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-~{N}-(pyridin-3-ylmethyl)ethanamide","2017-11-29"],["7MB","Agelastatin A","C12 H13 Br N4 O3","CN1C(=O)N[CH]2[CH]3NC(=O)c4ccc(Br)n4[CH]3C[C]12O;CN1C(=O)NC2C1(CC3C2NC(=O)c4n3c(cc4)Br)O","InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1","","2016-11-21","2017-06-23","","2017-06-28"],["R2G","2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol","C5 H8 O3","OC[CH]1OC=C[CH]1O;C1=COC(C1O)CO","InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1","","2009-12-09","2020-07-17","(2~{S},3~{R})-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol",""],["R2H","3-fluoro dicyclotyrosine","C18 H17 F N2 O4","Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(F)c3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(c3)F)O)O","InChI=1S/C18H17FN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(3-fluoranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["7MC","5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine","C19 H29 N8 O10 P","O=C(O)CC(NC(=O)C)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CC(=O)N[CH](CC(O)=O)C(=O)N[P](=O)(OCCCN)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(=O)NC(CC(=O)O)C(=O)NP(=O)(OCCCN)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C19H29N8O10P/c1-9(28)25-10(5-12(29)30)18(33)26-38(34,35-4-2-3-20)36-6-11-14(31)15(32)19(37-11)27-8-24-13-16(21)22-7-23-17(13)27/h7-8,10-11,14-15,19,31-32H,2-6,20H2,1H3,(H,25,28)(H,29,30)(H2,21,22,23)(H,26,33,34)/t10-,11+,14+,15+,19+,38+/m0/s1","","2011-04-18","2011-06-04","5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine",""],["R2I","9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","C15 H14 F2 N2 O4 Ru2","Fc1ccc(cc1)N2CN(c3ccc(F)cc3)[Ru]45OCO[Ru]24OCO5;c1cc(ccc1N2CN([Ru]34[Ru]2(OCO3)OCO4)c5ccc(cc5)F)F","InChI=1S/C13H10F2N2.2CH2O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*2-1-3;;/h1-8H,9H2;2*1H2;;/q3*-2;2*+3","","2022-11-22","2023-06-23","9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","2023-06-28"],["7MD","5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine","C17 H27 N8 O9 P","O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;NCCCO[P](=O)(NC(=O)[CH](N)CC(O)=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(=O)C(CC(=O)O)N)OCCCN)O)O)N","InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1","","2011-09-11","2024-10-07","5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine",""],["R2J","N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine","C10 H13 N3","c2c1n(C)nc(c1ccc2)CNC;CNCc1nn(C)c2ccccc12;CNCc1c2ccccc2n(n1)C","InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3","","2020-01-27","2022-01-07","N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine","2022-01-12"],["7ME","(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine","C9 H14 N4","n1c2c(c(nc1N)N)CCC(C2)C;C[CH]1CCc2c(N)nc(N)nc2C1;CC1CCc2c(nc(nc2N)N)C1","InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1","","2011-04-07","2012-01-13","(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine",""],["R2K","(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium","C3 H2 Na2 O4","[Na]OC(=O)CC(=O)O[Na];C(C(=O)O[Na])C(=O)O[Na]","InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2","","2020-08-26","2021-02-12","(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium","2021-02-17"],["7MF","[(7~{S})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","C17 H19 Br N O2","[NH3+][CH]1CCc2c(Br)ccc(c2CC1(O)O)c3ccccc3;c1ccc(cc1)c2ccc(c3c2CC(C(CC3)[NH3+])(O)O)Br","InChI=1S/C17H18BrNO2/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20,21)16(19)9-7-13(14)15/h1-6,8,16,20-21H,7,9-10,19H2/p+1/t16-/m0/s1","","2016-11-21","2017-04-14","[(7~{S})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","2017-04-19"],["7MG","7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE","C11 H18 N5 O8 P","O=C1C=2N(CN(C=2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)C;CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-09-27","7-methylguanosine 5'-(dihydrogen phosphate)",""],["R2L","(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C17 H18 Cl N3 O2","Cc1c(NC)cncc1NC(=O)C1CCOc2ccc(Cl)cc21;CNc1cncc(NC(=O)[CH]2CCOc3ccc(Cl)cc23)c1C;Cc1c(cncc1NC(=O)C2CCOc3c2cc(cc3)Cl)NC","InChI=1S/C17H18ClN3O2/c1-10-14(19-2)8-20-9-15(10)21-17(22)12-5-6-23-16-4-3-11(18)7-13(12)16/h3-4,7-9,12,19H,5-6H2,1-2H3,(H,21,22)/t12-/m1/s1","","2023-08-21","2023-11-03","(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["7MH","1-hydroxy-4,6-dimethylpyridine-2(1H)-thione","C7 H9 N O S","S=C1C=C(C=C(N1O)C)C;CC1=CC(=S)N(O)C(=C1)C;CC1=CC(=S)N(C(=C1)C)O","InChI=1S/C7H9NOS/c1-5-3-6(2)8(9)7(10)4-5/h3-4,9H,1-2H3","","2014-04-29","2015-03-06","1-hydroxy-4,6-dimethylpyridine-2(1H)-thione","2015-03-11"],["R2N","5-bromo-1-methyl-1H-indole-2-carboxylic acid","C10 H8 Br N O2","Cn1c(cc2cc(Br)ccc12)C(O)=O;Cn1c2ccc(cc2cc1C(=O)O)Br","InChI=1S/C10H8BrNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)","","2015-12-16","2015-12-18","5-bromanyl-1-methyl-indole-2-carboxylic acid","2015-12-23"],["R2O","N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine","C9 H10 F N3","Fc1ccc(NC2=NCCN2)cc1;Fc1ccc(NC2=NCCN2)cc1;c1cc(ccc1NC2=NCCN2)F","InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)","","2022-06-15","2022-09-02","N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine","2022-09-07"],["7MI","methyl\n(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)\n-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate","C26 H34 O8","COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O;CC1(C2C(=O)C(C3(C(C2(CCC1=O)C)CC(=C)C4(C3C(=O)OC(C4=O)(C)C(=O)OC)C)C)O)C","InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1","methyl\n(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n\naphtho[1,2-h]isochromene-2-carboxylate","2016-12-06","2020-06-17","methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate","2017-07-26"],["7MJ","3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide","C20 H19 N5 O3","c1ccc(cc1)Cc4nc(C(NC3C(N(c2ccccc2OC3)C)=O)=O)nn4;CN1C(=O)[CH](COc2ccccc12)NC(=O)c3[nH]nc(Cc4ccccc4)n3;CN1c2ccccc2OCC(C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4","InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1","","2016-11-16","2017-06-30","3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide","2017-07-05"],["R2P","(2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid","C5 H7 N3 O3 S","O=C(O)C(N)Cc1nsnc1O;N[CH](Cc1nsnc1O)C(O)=O;C(c1c(nsn1)O)C(C(=O)O)N","InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1","","2007-11-29","2011-06-04","3-(4-hydroxy-1,2,5-thiadiazol-3-yl)-D-alanine",""],["R2Q","3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile","C20 H13 N3","N#Cc1cccc(c1)c2ccc3nc(cn3c2)c4ccccc4;c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N","InChI=1S/C20H13N3/c21-12-15-5-4-8-17(11-15)18-9-10-20-22-19(14-23(20)13-18)16-6-2-1-3-7-16/h1-11,13-14H","","2020-08-26","2021-02-12","3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile","2021-02-17"],["7MK","[(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","C11 H16 N O2","[NH3+][CH]1CCc2ccccc2CC1(O)O;c1ccc2c(c1)CCC(C(C2)(O)O)[NH3+]","InChI=1S/C11H15NO2/c12-10-6-5-8-3-1-2-4-9(8)7-11(10,13)14/h1-4,10,13-14H,5-7,12H2/p+1/t10-/m0/s1","","2016-11-21","2017-04-14","[(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","2017-04-19"],["7ML","[(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","C17 H20 N O2","[NH3+][CH]1CCc2cccc(c3ccccc3)c2CC1(O)O;c1ccc(cc1)c2cccc3c2CC(C(CC3)[NH3+])(O)O","InChI=1S/C17H19NO2/c18-16-10-9-13-7-4-8-14(12-5-2-1-3-6-12)15(13)11-17(16,19)20/h1-8,16,19-20H,9-11,18H2/p+1/t16-/m0/s1","","2016-11-21","2017-04-14","[(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium","2017-04-19"],["R2R","ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)","H28 N14 O2 Ru3","N[Ru](N)(N)(N)(O[Ru](N)(N)(N)(N)N)O[Ru](N)(N)(N)(N)N;N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N;N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N","InChI=1S/14H2N.2O.3Ru/h14*1H2;;;;;/q14*-1;;;+4;2*+5","","2019-10-02","2019-11-22","ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)","2019-11-27"],["R2S","N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide","C15 H9 Cl N2 O2 S3","O=S(=O)(c1sc2ccccc2c1)Nc3nc4ccc(Cl)cc4s3;Clc1ccc2nc(N[S](=O)(=O)c3sc4ccccc4c3)sc2c1;c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl","InChI=1S/C15H9ClN2O2S3/c16-10-5-6-11-13(8-10)22-15(17-11)18-23(19,20)14-7-9-3-1-2-4-12(9)21-14/h1-8H,(H,17,18)","","2014-11-06","2014-12-12","N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide","2014-12-17"],["7MM","methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate","C45 H65 F N6 O5 S","C8C(C(c1cccc(c1)F)(CN2CCC2)C3CCN(CC3)CC4CN(C4)c5ccc(cc5)S(C6CN(C6)C(CCCN7CCCCC7)=O)(=O)=O)C(CC8)NC(=O)OC;COC(=O)N[CH]1CCC[CH]1[C](CN2CCC2)(C3CCN(CC3)CC4CN(C4)c5ccc(cc5)[S](=O)(=O)C6CN(C6)C(=O)CCCN7CCCCC7)c8cccc(F)c8;COC(=O)NC1CCCC1C(CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8","InChI=1S/C45H65FN6O5S/c1-57-44(54)47-42-12-6-11-41(42)45(33-50-23-8-24-50,36-9-5-10-37(46)27-36)35-18-25-49(26-19-35)28-34-29-51(30-34)38-14-16-39(17-15-38)58(55,56)40-31-52(32-40)43(53)13-7-22-48-20-3-2-4-21-48/h5,9-10,14-17,27,34-35,40-42H,2-4,6-8,11-13,18-26,28-33H2,1H3,(H,47,54)/t41-,42-,45-/m0/s1","","2018-10-02","2020-05-08","methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate","2020-05-13"],["R2T","beta,gamma-dihydroxyglutamine","C5 H10 N2 O5","O=C(N)C(O)C(O)C(C(=O)O)N;N[CH]([CH](O)[CH](O)C(N)=O)C(O)=O;C(C(C(=O)O)N)(C(C(=O)N)O)O","InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1","","2014-01-29","2024-09-27","(2S,3R,4S)-2,5-diamino-3,4-dihydroxy-5-oxopentanoic acid (non-preferred name)","2014-05-07"],["7MN","(Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium","C19 H23 N3 O7 P","O=P(O)(O)OCC1=CNC(=C(O)C/1=C/[NH+]=C(/C(=O)O)CN3c2ccccc2CC3)C;CC1=C(O)C(=C[NH+]=C(CN2CCc3ccccc23)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=C[NH+]=C(CN2CCc3c2cccc3)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C19H22N3O7P/c1-12-18(23)15(14(8-20-12)11-29-30(26,27)28)9-21-16(19(24)25)10-22-7-6-13-4-2-3-5-17(13)22/h2-5,8-9,20,23H,6-7,10-11H2,1H3,(H,24,25)(H2,26,27,28)/p+1/b15-9-,21-16+","","2011-01-18","2011-06-04","(Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium",""],["7MO","5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine","C13 H22 N7 O6 P","NP(=O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;NCCCO[P](N)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N)OCCCN)O)O)N","InChI=1S/C13H22N7O6P/c14-2-1-3-24-27(16,23)25-4-7-9(21)10(22)13(26-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,21-22H,1-4,14H2,(H2,16,23)(H2,15,17,18)/t7-,9-,10-,13-,27-/m1/s1","","2023-02-15","2024-02-02","5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine","2024-02-07"],["R2U","Ru2-(OH)6 cluster","H6 O6 Ru2","O[Ru](O)(O)[Ru](O)(O)O;O[Ru](O)(O)[Ru](O)(O)O","InChI=1S/6H2O.2Ru/h6*1H2;;/q;;;;;;2*+3/p-6","","2022-11-22","2023-06-23","","2023-06-28"],["7MP","7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM","C22 H18 F3 N6 O2","FC(F)(F)c1cccc(c1)C(=O)Nc4cc(N3C(=O)[N+](=C2N=C(N=CC2=C3)N)C)c(cc4)C;Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N3C=C4C=NC(=NC4=[N+](C)C3=O)N;Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C22H17F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-11,26H,1-2H3,(H,28,32)/p+1","","2006-06-30","2011-06-04","7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium",""],["R2V","5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine","C17 H19 N7 O7 S","n1(cnc2c(N)ncnc12)C3OC(C(O)C3O)CNS(NC(c4cccc(c4)O)=O)(=O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)c4cccc(O)c4)[CH](O)[CH]3O;c1cc(cc(c1)O)C(=O)NS(=O)(=O)NCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-2-1-3-9(25)4-8/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1","","2020-01-28","2020-06-19","5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine","2020-06-24"],["7MQ","MENAQUINONE-7 (ALTERED)","C46 H64 O2","O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+","","1999-07-08","2008-10-14","2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-3-methylnaphthalene-1,4-dione",""],["R2W","4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide","C16 H19 N3 O3 S2","N[S](=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1;c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C16H19N3O3S2/c17-24(20,21)15-9-7-13(8-10-15)19-16(23)18-11-4-12-22-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,17,20,21)(H2,18,19,23)","1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea","2020-08-26","2021-10-01","1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea","2021-10-06"],["R2X","(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)","C27 H27 Cl N4 O4","O=C(NC(c1cccc(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCC(O1)C(=O)N1CCCC1;Clc1cccc(c1)[CH](NC(=O)[CH]2CC[CH](O2)C(=O)N3CCCC3)C(=O)Nc4cncc5ccccc45;c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)C4CCC(O4)C(=O)N5CCCC5","InChI=1S/C27H27ClN4O4/c28-19-8-5-7-17(14-19)24(26(34)30-21-16-29-15-18-6-1-2-9-20(18)21)31-25(33)22-10-11-23(36-22)27(35)32-12-3-4-13-32/h1-2,5-9,14-16,22-24H,3-4,10-13H2,(H,30,34)(H,31,33)/t22-,23+,24+/m0/s1","","2023-08-21","2023-11-03","(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)","2023-11-08"],["7MR","(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE","C16 H15 F3 N2 O5 S","FC(F)(F)C(C(=O)NO)(N)CS(=O)(=O)c2ccc(Oc1ccccc1)cc2;N[C](C[S](=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)C(F)(F)F;c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)CC(C(=O)NO)(C(F)(F)F)N","InChI=1S/C16H15F3N2O5S/c17-16(18,19)15(20,14(22)21-23)10-27(24,25)13-8-6-12(7-9-13)26-11-4-2-1-3-5-11/h1-9,23H,10,20H2,(H,21,22)/t15-/m1/s1","","2007-02-16","2011-06-04","(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide",""],["R2Y","N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide","C27 H37 F2 N5 O2","c1cnc(c2ccc(cc12)CNC(=O)C3CC(CN3C(=O)C(NC4CCCCC4)CC(C)C)(F)F)N;CC(C)C[CH](NC1CCCCC1)C(=O)N2CC(F)(F)C[CH]2C(=O)NCc3ccc4c(N)nccc4c3;CC(C)CC(C(=O)N1CC(CC1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4","InChI=1S/C27H37F2N5O2/c1-17(2)12-22(33-20-6-4-3-5-7-20)26(36)34-16-27(28,29)14-23(34)25(35)32-15-18-8-9-21-19(13-18)10-11-31-24(21)30/h8-11,13,17,20,22-23,33H,3-7,12,14-16H2,1-2H3,(H2,30,31)(H,32,35)/t22-,23+/m1/s1","","2020-01-28","2020-05-01","N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide","2020-05-06"],["7MS","(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid","C20 H32 O4","CCC(O)C(O)C[C@H]=CC[C@H]=[C@H]C[C@H]=[C@H]C/C=CCCCC(O)=O;CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCCC(O)=O;CCC(C(CC=CCC=CCC=CCC=CCCCC(=O)O)O)O","InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1","","2016-11-16","2024-09-27","(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid","2017-10-11"],["7MT","Tb-Xo4","C20 H23 N5 O4 Tb","O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34;c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9","InChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);/q;+7/p-2","","2016-11-21","2019-05-23","","2017-09-20"],["R2Z","N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide","C16 H29 N6 O7 P","O=C(NC(C(=O)N)CCCNC(=[N@H])N)C1C(=C/C(NC=O)COP(=O)(O)O)CCC1;NC(=N)NCCC[CH](NC(=O)[CH]1CCCC1=C[CH](CO[P](O)(O)=O)NC=O)C(N)=O;C1CC(C(=CC(COP(=O)(O)O)NC=O)C1)C(=O)NC(CCCNC(=N)N)C(=O)N","InChI=1S/C16H29N6O7P/c17-14(24)13(5-2-6-20-16(18)19)22-15(25)12-4-1-3-10(12)7-11(21-9-23)8-29-30(26,27)28/h7,9,11-13H,1-6,8H2,(H2,17,24)(H,21,23)(H,22,25)(H4,18,19,20)(H2,26,27,28)/b10-7-/t11-,12-,13+/m1/s1","","2011-08-23","2012-06-15","N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide",""],["R30","N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide","C22 H21 N5 O2 S","O=C(N(c1ccc(NC(CC)=O)cc1)Cc2cscc2)Cn3nnc4c3cccc4;CCC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34;CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C22H21N5O2S/c1-2-21(28)23-17-7-9-18(10-8-17)26(13-16-11-12-30-15-16)22(29)14-27-20-6-4-3-5-19(20)24-25-27/h3-12,15H,2,13-14H2,1H3,(H,23,28)","","2015-03-06","2015-06-12","N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide","2015-06-17"],["7MU","4-chloranyl-~{N}-methyl-pyridine-2-carboxamide","C7 H7 Cl N2 O","CNC(=O)c1cc(Cl)ccn1;CNC(=O)c1cc(ccn1)Cl","InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)","","2016-11-21","2017-04-07","4-chloranyl-~{N}-methyl-pyridine-2-carboxamide","2017-04-12"],["7MV","N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide","C23 H18 Cl F N2 O","C(c1ccccc1)NC(=O)c4ccc3c(ccn3Cc2cc(c(cc2)Cl)F)c4;Fc1cc(Cn2ccc3cc(ccc23)C(=O)NCc4ccccc4)ccc1Cl;c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl","InChI=1S/C23H18ClFN2O/c24-20-8-6-17(12-21(20)25)15-27-11-10-18-13-19(7-9-22(18)27)23(28)26-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,28)","","2016-11-16","2017-02-03","N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide","2017-02-08"],["R31","(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide","C28 H47 N5 O6","O=C(N)C(C)(C)CNC(=O)C(C(C)C)CC(O)C(N)CN2CC(=O)N(c1ccccc1OCCCOC)CC2;COCCCOc1ccccc1N2CCN(C[CH](N)[CH](O)C[CH](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC2=O;CC(C)C(CC(C(CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N","InChI=1S/C28H47N5O6/c1-19(2)20(26(36)31-18-28(3,4)27(30)37)15-23(34)21(29)16-32-11-12-33(25(35)17-32)22-9-6-7-10-24(22)39-14-8-13-38-5/h6-7,9-10,19-21,23,34H,8,11-18,29H2,1-5H3,(H2,30,37)(H,31,36)/t20-,21-,23-/m0/s1","","2012-05-30","2012-07-20","(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide (non-preferred name)",""],["R32","(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide","C26 H42 Cl N5 O4","O=C(N)C(C)(C)CNC(=O)C(C(C)C)CC(O)C(N)CN1C(CN(C(=O)C1)c2ccccc2Cl)(C)C;CC(C)[CH](C[CH](O)[CH](N)CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)C(=O)NCC(C)(C)C(N)=O;CC(C)C(CC(C(CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N","InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1","","2012-05-30","2012-07-20","(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide (non-preferred name)",""],["7MW","methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate","C9 H11 N O3","CCC(=O)c1c[nH]c(c1)C(=O)OC;CCC(=O)c1cc([nH]c1)C(=O)OC","InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3","","2016-11-21","2017-04-07","methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate","2017-04-12"],["R33","N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide","C9 H19 N5 O2","C(=O)(C)C(CCCN/C(N)=N)NC(=O)CN;CC(=O)[CH](CCCNC(N)=N)NC(=O)CN;CC(=O)C(CCCNC(=N)N)NC(=O)CN","InChI=1S/C9H19N5O2/c1-6(15)7(14-8(16)5-10)3-2-4-13-9(11)12/h7H,2-5,10H2,1H3,(H,14,16)(H4,11,12,13)/t7-/m0/s1","","2017-07-08","2024-09-27","N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide","2018-07-11"],["7MX","ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate","C9 H10 Cl N O3","CCOC(=O)C1=CN(C)C(=O)C=C1Cl;CCOC(=O)C1=CN(C(=O)C=C1Cl)C","InChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3","","2016-11-21","2017-04-07","ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate","2017-04-12"],["R34","5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide","C24 H19 Cl N4 O3","c15c(ccc(c1)c2c(Cl)cc3c(c2)nc(n3)Oc4cc(c(cc4)C)C(=O)NO)n(C)cc5;Cn1ccc2cc(ccc12)c3cc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(=O)NO;Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl","InChI=1S/C24H19ClN4O3/c1-13-3-5-16(10-17(13)23(30)28-31)32-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-29(22)2/h3-12,31H,1-2H3,(H,26,27)(H,28,30)","","2018-01-29","2018-11-23","5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide","2018-11-28"],["7MY","7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one","C28 H31 N5 O2","c21nc(ncc1C(C)(C(N2C3CCc4c3cccc4O)=O)C)Nc6cc(CN5CCCC5)ccc6;CC1(C)C(=O)N([CH]2CCc3c(O)cccc23)c4nc(Nc5cccc(CN6CCCC6)c5)ncc14;CC1(c2cnc(nc2N(C1=O)C3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C","InChI=1S/C28H31N5O2/c1-28(2)22-16-29-27(30-19-8-5-7-18(15-19)17-32-13-3-4-14-32)31-25(22)33(26(28)35)23-12-11-21-20(23)9-6-10-24(21)34/h5-10,15-16,23,34H,3-4,11-14,17H2,1-2H3,(H,29,30,31)/t23-/m0/s1","","2016-11-17","2017-11-17","7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one","2017-11-22"],["R35","(2R)-2-tert-butylbutanedioic acid","C8 H14 O4","O=C(O)C(CC(=O)O)C(C)(C)C;CC(C)(C)[CH](CC(O)=O)C(O)=O;CC(C)(C)C(CC(=O)O)C(=O)O","InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-/m0/s1","","2010-11-03","2012-01-13","(2R)-2-tert-butylbutanedioic acid",""],["7MZ","1-(3-pyrimidin-2-yloxyphenyl)ethanone","C12 H10 N2 O2","CC(=O)c1cccc(Oc2ncccn2)c1;CC(=O)c1cccc(c1)Oc2ncccn2","InChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3","","2016-11-21","2017-04-07","1-(3-pyrimidin-2-yloxyphenyl)ethanone","2017-04-12"],["7N0","2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid","C7 H10 O3","OC(=O)C[CH]1CCCC1=O;C1CC(C(=O)C1)CC(=O)O","InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1","","2016-11-22","2024-09-27","2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid","2018-11-07"],["R36","4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE","C32 H41 N3 O4","O=C(c1cccc(N)c1)NC(CC(C)C)CC(O)C(NC(=O)COc2c(cccc2C)C)Cc3ccccc3;CC(C)C[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)COc2c(C)cccc2C)NC(=O)c3cccc(N)c3;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(CC(C)C)NC(=O)c3cccc(c3)N)O)C","InChI=1S/C32H41N3O4/c1-21(2)16-27(34-32(38)25-14-9-15-26(33)18-25)19-29(36)28(17-24-12-6-5-7-13-24)35-30(37)20-39-31-22(3)10-8-11-23(31)4/h5-15,18,21,27-29,36H,16-17,19-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1","","2002-05-10","2011-06-04","3-amino-N-[(1S,3S,4S)-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-1-(2-methylpropyl)-5-phenylpentyl]benzamide",""],["R37","3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE","C32 H41 N3 O4","O=C(c1ccc(N)cc1)NC(CC(C)C)CC(O)C(NC(=O)COc2c(cccc2C)C)Cc3ccccc3;CC(C)C[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)COc2c(C)cccc2C)NC(=O)c3ccc(N)cc3;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(CC(C)C)NC(=O)c3ccc(cc3)N)O)C","InChI=1S/C32H41N3O4/c1-21(2)17-27(34-32(38)25-13-15-26(33)16-14-25)19-29(36)28(18-24-11-6-5-7-12-24)35-30(37)20-39-31-22(3)9-8-10-23(31)4/h5-16,21,27-29,36H,17-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1","","2002-05-10","2011-06-04","4-amino-N-[(1S,3S,4S)-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-1-(2-methylpropyl)-5-phenylpentyl]benzamide",""],["7N1","5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile","C23 H15 F2 N3 O4","c2(c1ccc(C#N)cc1cc(c2)F)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F;Fc1ccc(Oc2cc(F)cc3cc(ccc23)C#N)c(OCCN4C=CC(=O)NC4=O)c1;c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F","InChI=1S/C23H15F2N3O4/c24-16-2-4-19(21(11-16)31-8-7-28-6-5-22(29)27-23(28)30)32-20-12-17(25)10-15-9-14(13-26)1-3-18(15)20/h1-6,9-12H,7-8H2,(H,27,29,30)","","2016-11-17","2017-03-10","5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile","2017-03-15"],["R38","(2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid","C15 H18 N2 O3 S","C[CH](CS)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(O)=O;CC(CS)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C15H18N2O3S/c1-9(8-21)14(18)17-13(15(19)20)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,9,13,16,21H,6,8H2,1H3,(H,17,18)(H,19,20)/t9-,13-/m1/s1","","2017-02-12","2017-05-12","(2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid","2017-05-17"],["7N2","(4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline","C23 H16 F3 N3 O2 S","FC(F)(F)c1cccc(c1)[S](=O)(=O)N2[CH](c3cccnc3)c4cccn4c5ccccc25;c1ccc2c(c1)-n3cccc3C(N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5","InChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H/t22-/m1/s1","","2016-11-22","2016-12-22","(4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline","2016-12-28"],["R39","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea","C27 H35 N5 O3","O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)Nc4ccc(OCCN3CCOCC3)cc4;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)cc3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4","InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)","1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)phenyl)urea","2009-06-17","2020-06-17","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea",""],["7N3","2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide","C15 H12 N4 O3 S2","NC(=O)c1ccsc1NC(=O)CSC2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N","InChI=1S/C15H12N4O3S2/c16-12(21)9-5-6-23-14(9)18-11(20)7-24-15-17-10-4-2-1-3-8(10)13(22)19-15/h1-6H,7H2,(H2,16,21)(H,18,20)(H,17,19,22)","","2016-12-01","2017-09-01","2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide","2017-09-06"],["R3A","1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide","C19 H25 Cl N6 O4 S","C(=O)(C(NS(c1ccc2c(cnc(NC(=N)N)c2c1)Cl)(=O)=O)C(C)C)N3CCOCC3;CC(C)[CH](N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(=O)N3CCOCC3;CC(C)C(C(=O)N1CCOCC1)NS(=O)(=O)c2ccc3c(c2)c(ncc3Cl)NC(=N)N","InChI=1S/C19H25ClN6O4S/c1-11(2)16(18(27)26-5-7-30-8-6-26)25-31(28,29)12-3-4-13-14(9-12)17(24-19(21)22)23-10-15(13)20/h3-4,9-11,16,25H,5-8H2,1-2H3,(H4,21,22,23,24)/t16-/m1/s1","","2020-01-28","2020-05-01","1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide","2020-05-06"],["7N4","{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid","C13 H11 B Cl F O2","B(c1cc(c(cc1)OCc2ccccc2F)Cl)O;OBc1ccc(OCc2ccccc2F)c(Cl)c1;B(c1ccc(c(c1)Cl)OCc2ccccc2F)O","InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2","","2016-11-21","2024-09-27","{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid","2017-12-06"],["7N5","2-Ketohexanoic acid","C6 H10 O3","CCCCC(=O)C(O)=O;CCCCC(=O)C(=O)O","InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)","","2016-11-23","2023-01-25","2-oxidanylidenehexanoic acid","2018-05-02"],["R3B","(2S,9S,12R)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione","C42 H53 N O9","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCCOc6cccc2c6)c(OC)c5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCCCOc4c(cc(cc4OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)OC","InChI=1S/C42H53NO9/c1-46-35-20-18-28(24-36(35)47-2)17-19-34-30-14-10-15-32(25-30)50-22-11-23-51-40-37(48-3)26-31(27-38(40)49-4)39(29-12-6-5-7-13-29)41(44)43-21-9-8-16-33(43)42(45)52-34/h10,14-15,18,20,24-27,29,33-34,39H,5-9,11-13,16-17,19,21-23H2,1-4H3/t33-,34+,39-/m0/s1","","2020-08-27","2021-03-12","","2021-03-17"],["7N6","(2R)-2-hydroxyhexanoic acid","C6 H12 O3","CCCC[CH](O)C(O)=O;CCCCC(C(=O)O)O","InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1","","2016-11-23","2022-12-06","(2~{R})-2-oxidanylhexanoic acid","2018-05-09"],["R3D","Ru2-(OH)8 cluster","H8 O8 Ru2","O[Ru](O)(O)O.O[Ru](O)(O)O;O[Ru](O)(O)(O)[Ru](O)(O)(O)O","InChI=1S/8H2O.2Ru/h8*1H2;;/q;;;;;;;;2*+4/p-8","","2022-11-22","2023-06-23","","2023-06-28"],["R3E","(2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione","C45 H57 N O10","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCOCC=CCOc6cccc2c6)c(OC)c5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCC=CCOCCOc4c(cc(cc4OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)OC","InChI=1S/C45H57NO10/c1-49-38-21-19-31(27-39(38)50-2)18-20-37-33-15-12-16-35(28-33)54-24-11-10-23-53-25-26-55-43-40(51-3)29-34(30-41(43)52-4)42(32-13-6-5-7-14-32)44(47)46-22-9-8-17-36(46)45(48)56-37/h10-12,15-16,19,21,27-30,32,36-37,42H,5-9,13-14,17-18,20,22-26H2,1-4H3/b11-10-/t36-,37+,42-/m0/s1","","2020-08-27","2021-03-12","","2021-03-17"],["7N7","naphthalen-2-ylboronic acid","C10 H9 B O2","c1c2c(cc(B(O)O)c1)cccc2;OB(O)c1ccc2ccccc2c1;B(c1ccc2ccccc2c1)(O)O","InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H","","2016-11-21","2024-09-27","naphthalen-2-ylboronic acid","2017-12-06"],["7N8","4-Borono-L-phenylalanine","C9 H12 B N O4","N[CH](Cc1ccc(cc1)B(O)O)C(O)=O;B(c1ccc(cc1)CC(C(=O)O)N)(O)O","InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1","","2016-11-24","2024-09-27","(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid","2017-10-11"],["R3F","2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","C43 H57 N5 O10","CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5;CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)COC6C(C(C(C(O6)C)O)O)O)N(CC)CC","InChI=1S/C43H57N5O10/c1-6-46(7-2)30-14-16-34-36(24-30)58-37-25-31(47(8-3)9-4)15-17-35(37)38(34)32-12-10-11-13-33(32)42(52)55-23-22-54-21-20-53-19-18-48-26-29(44-45-48)27-56-43-41(51)40(50)39(49)28(5)57-43/h10-17,24-26,28,38-41,43,49-51H,6-9,18-23,27H2,1-5H3/t28-,39+,40+,41-,43+/m0/s1","","2021-03-03","2021-04-09","2-[2-[2-[4-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9~{H}-xanthen-9-yl]benzoate","2021-04-14"],["R3G","2-[2-(2-{4-[(alpha-D-glucopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","C43 H57 N5 O11","O=C(OCCOCCOCCn1nnc(c1)COC2OC(C(O)C(O)C2O)CO)c3ccccc3C5c6ccc(N(CC)CC)cc6Oc4cc(N(CC)CC)ccc45;CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCOCCn5cc(CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)nn5;CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)COC6C(C(C(C(O6)CO)O)O)O)N(CC)CC","InChI=1S/C43H57N5O11/c1-5-46(6-2)29-13-15-33-35(23-29)58-36-24-30(47(7-3)8-4)14-16-34(36)38(33)31-11-9-10-12-32(31)42(53)56-22-21-55-20-19-54-18-17-48-25-28(44-45-48)27-57-43-41(52)40(51)39(50)37(26-49)59-43/h9-16,23-25,37-41,43,49-52H,5-8,17-22,26-27H2,1-4H3/t37-,39-,40+,41-,43+/m1/s1","","2014-04-08","2014-09-05","2-[2-(2-{4-[(alpha-D-glucopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","2014-08-27"],["7N9","(5-chloranyl-2-methoxy-phenyl)methylazanium","C8 H11 Cl N O","COc1ccc(Cl)cc1C[NH3+];COc1ccc(cc1C[NH3+])Cl","InChI=1S/C8H10ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3/p+1","","2016-11-24","2018-02-15","(5-chloranyl-2-methoxy-phenyl)methylazanium","2017-12-20"],["R3H","tetrakis(oxidanyl)titanium","H4 O4 Ti","O[Ti](O)(O)O;O[Ti](O)(O)O","InChI=1S/4H2O.Ti/h4*1H2;/q;;;;+4/p-4","","2020-08-27","2021-01-08","tetrakis(oxidanyl)titanium","2021-01-13"],["7NA","2-hydroxy-7-methoxy-5-methyl naphthoic acid","C13 H12 O4","O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C;COc1cc(C)c2ccc(O)c(C(O)=O)c2c1;Cc1cc(cc2c1ccc(c2C(=O)O)O)OC","InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)","2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid","2009-07-10","2021-03-01","2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid",""],["7NB","2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile","C30 H33 F N8 O2 S","CCc1nc2n(cc(cc2C)N3CCN(CC3)CC(=O)N4CC(O)C4)c1N(C)c5sc(C#N)c(n5)c6ccc(F)cc6;CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F","InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3","","2016-11-25","2017-08-25","2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile","2017-08-30"],["R3I","(3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one","C20 H14 Cl F N2 O2","Fc1cc2c(cc1)cncc2N1CCC2(COc3ccc(Cl)cc32)C1=O;Fc1ccc2cncc(N3CC[C]4(COc5ccc(Cl)cc45)C3=O)c2c1;c1cc2cncc(c2cc1F)N3CCC4(C3=O)COc5c4cc(cc5)Cl","InChI=1S/C20H14ClFN2O2/c21-13-2-4-18-16(7-13)20(11-26-18)5-6-24(19(20)25)17-10-23-9-12-1-3-14(22)8-15(12)17/h1-4,7-10H,5-6,11H2/t20-/m1/s1","","2023-08-21","2023-11-03","(3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one","2023-11-08"],["7NC","4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one","C17 H14 N2 O2 S","CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3ccccc23;CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3","InChI=1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21)","","2016-12-01","2017-09-01","4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one","2017-09-06"],["R3J","benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate","C24 H27 N5 O6","C2(=O)C(=C(C(NCCc1cc(OC)ncc1)=O)N=C(N2)C(NC(OCc3ccccc3)=O)(C)C)O;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)C(C)(C)NC(=O)OCc3ccccc3)ccn1;CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3","InChI=1S/C24H27N5O6/c1-24(2,29-23(33)35-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)28-22)20(31)26-12-10-15-9-11-25-17(13-15)34-3/h4-9,11,13,30H,10,12,14H2,1-3H3,(H,26,31)(H,29,33)(H,27,28,32)","","2020-01-28","2021-02-19","benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate","2021-02-24"],["R3K","pyridine-2,5-dicarboxylic acid","C7 H5 N O4","OC(=O)c1ccc(cn1)C(=O)O;OC(=O)c1ccc(nc1)C(O)=O;c1cc(ncc1C(=O)O)C(=O)O","InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)","","2022-06-15","2023-03-03","pyridine-2,5-dicarboxylic acid","2023-03-08"],["7ND","(3-bromo-5-phenoxyphenyl)boronic acid","C12 H10 B Br O3","Brc1cc(cc(c1)B(O)O)Oc2ccccc2;OB(O)c1cc(Br)cc(Oc2ccccc2)c1;B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O","InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H","","2016-11-21","2024-09-27","(3-bromo-5-phenoxyphenyl)boronic acid","2017-12-06"],["R3L","4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","C26 H23 N7 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(C)c4)nc(nc12)c5cccnc5;Cc1cccc(c1)NC(=O)c2ccc(c(c2)Nc3c4cnn(c4nc(n3)c5cccnc5)C)C","InChI=1S/C26H23N7O/c1-16-6-4-8-20(12-16)29-26(34)18-10-9-17(2)22(13-18)30-24-21-15-28-33(3)25(21)32-23(31-24)19-7-5-11-27-14-19/h4-15H,1-3H3,(H,29,34)(H,30,31,32)","","2022-11-23","2023-03-03","4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","2023-03-08"],["7NE","ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate","C17 H15 N O4","CCOC(=O)C1=C(Nc2ccc3ccccc3c2)OCC1=O;CCOC(=O)C1=C(OCC1=O)Nc2ccc3ccccc3c2","InChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-9,18H,2,10H2,1H3","","2022-02-21","2023-02-17","ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate","2023-02-22"],["7NF","2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid","C7 H7 N O4 S","CCOC(=O)c1scc(n1)C(O)=O;CCOC(=O)c1nc(cs1)C(=O)O","InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)","","2016-11-27","2024-09-27","2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid","2017-12-20"],["R3M","2-[2-(2-{4-[(alpha-D-mannopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","C43 H57 N5 O11","O=C(OCCOCCOCCn1nnc(c1)COC2OC(C(O)C(O)C2O)CO)c3ccccc3C5c6ccc(N(CC)CC)cc6Oc4cc(N(CC)CC)ccc45;CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCOCCn5cc(CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)nn5;CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)COC6C(C(C(C(O6)CO)O)O)O)N(CC)CC","InChI=1S/C43H57N5O11/c1-5-46(6-2)29-13-15-33-35(23-29)58-36-24-30(47(7-3)8-4)14-16-34(36)38(33)31-11-9-10-12-32(31)42(53)56-22-21-55-20-19-54-18-17-48-25-28(44-45-48)27-57-43-41(52)40(51)39(50)37(26-49)59-43/h9-16,23-25,37-41,43,49-52H,5-8,17-22,26-27H2,1-4H3/t37-,39-,40+,41+,43+/m1/s1","","2014-04-08","2014-09-05","2-[2-(2-{4-[(alpha-D-mannopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","2014-08-27"],["R3N","(2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid","C12 H17 N O6 S","C[CH](O)[CH]([CH]1S[CH]([CH]2CCCO2)C(=N1)C(O)=O)C(O)=O;CC(C(C1N=C(C(S1)C2CCCO2)C(=O)O)C(=O)O)O","InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,9-10,14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,9-,10-/m1/s1","(2~{R},5~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-[(2~{R})-oxolan-2-yl]-1,3-thiazolidine-4-carboxylic acid","2020-08-28","2021-03-13","(2~{R},5~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-[(2~{R})-oxolan-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid","2021-02-24"],["7NG","5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide","C28 H29 F N4 O3","c24oc(c1ccc(cc1)F)c(C(=O)NC)c2cc(c3cccc(c3)C(=O)NC(C)(C)C)c(n4)NCC;CCNc1nc2oc(c3ccc(F)cc3)c(C(=O)NC)c2cc1c4cccc(c4)C(=O)NC(C)(C)C;CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C","InChI=1S/C28H29FN4O3/c1-6-31-24-20(17-8-7-9-18(14-17)25(34)33-28(2,3)4)15-21-22(26(35)30-5)23(36-27(21)32-24)16-10-12-19(29)13-11-16/h7-15H,6H2,1-5H3,(H,30,35)(H,31,32)(H,33,34)","","2016-11-21","2017-03-10","5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide","2017-03-15"],["R3O","2-methoxycarbonylbenzoic acid","C9 H8 O4","COC(=O)c1ccccc1C(O)=O;COC(=O)c1ccccc1C(=O)O","InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)","monomethyl phthalate","2023-03-30","2024-12-20","2-methoxycarbonylbenzoic acid","2024-12-25"],["7NH","[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA","C21 H18 N4 O2","O=C(N)NCc1cccc(c1)c4cccc(c3cc2c(ccnc2)n3)c4O;NC(=O)NCc1cccc(c1)c2cccc(c2O)c3[nH]c4ccncc4c3;c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N","InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)","","2006-01-17","2011-06-04","1-{[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]pyridin-2-yl)biphenyl-3-yl]methyl}urea",""],["R3P","2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide","C15 H20 Cl2 N2 O","Clc1c(c(ccc1)Cl)C(NC2CCN(CC2)C(C)C)=O;CC(C)N1CCC(CC1)NC(=O)c2c(Cl)cccc2Cl;CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl","InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)","","2020-01-29","2020-06-26","2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide","2020-07-01"],["7NI","7-NITROINDAZOLE","C7 H5 N3 O2","[O-][N+](=O)c1cccc2c1nnc2;[O-][N+](=O)c1cccc2cn[nH]c12;c1cc2cn[nH]c2c(c1)[N+](=O)[O-]","InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)","","1999-09-14","2011-06-04","7-nitro-1H-indazole",""],["7NJ","(3-bromo-4-methylphenyl)boronic acid","C7 H8 B Br O2","Brc1c(ccc(c1)B(O)O)C;Cc1ccc(cc1Br)B(O)O;B(c1ccc(c(c1)Br)C)(O)O","InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3","","2016-11-21","2024-09-27","(3-bromo-4-methylphenyl)boronic acid","2017-12-06"],["R3Q","[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4,12-diacetyloxy-10,14,16,16-tetramethyl-1,9,15-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate","C31 H38 O11","CC(=O)O[CH]1C(=O)[C]2(C)[CH](O)C[CH]3OC[C]3(OC(C)=O)[CH]2[CH](OC(=O)c4ccccc4)[C]5(O)C[CH](O)C(=C1C5(C)C)C;CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)OC(=O)C","InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1","Baccatin III; O-De[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]paclitaxel","2020-08-31","2023-03-17","[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4,12-diacetyloxy-10,14,16,16-tetramethyl-1,9,15-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate","2023-03-22"],["7NL","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol","C31 H32 F2 N6 O2","FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21;Oc1cc2ccccc2c(c1)c3ncc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7C[CH]8CC[CH](C7)N8;c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CC(C6)F)N7CC8CCC(C7)N8)F)O","InChI=1S/C31H32F2N6O2/c32-19-12-31(8-3-9-39(31)14-19)17-41-30-36-28-25(29(37-30)38-15-20-6-7-21(16-38)35-20)13-34-27(26(28)33)24-11-22(40)10-18-4-1-2-5-23(18)24/h1-2,4-5,10-11,13,19-21,35,40H,3,6-9,12,14-17H2/t19-,20-,21+,31+/m1/s1","","2021-08-13","2021-12-17","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol","2021-12-22"],["R3R"," 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form","C16 H13 N O2","CCC(=O)n1c2ccccc2c2cc(C=O)ccc21;CCC(=O)n1c2ccccc2c3cc(C=O)ccc13;CCC(=O)n1c2ccccc2c3c1ccc(c3)C=O","InChI=1S/C16H13NO2/c1-2-16(19)17-14-6-4-3-5-12(14)13-9-11(10-18)7-8-15(13)17/h3-10H,2H2,1H3","","2022-06-16","2024-09-27","9-propanoyl-9H-carbazole-3-carbaldehyde","2022-10-12"],["R3S","RESVERATROL-3-O-SULFATE","C14 H12 O6 S","Oc1ccc(cc1)C=Cc2cc(O)cc(O[S](O)(=O)=O)c2;c1cc(ccc1C=Cc2cc(cc(c2)OS(=O)(=O)O)O)O","InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+","","2015-03-06","2015-10-16","[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenyl] hydrogen sulfate","2015-10-21"],["7NM","[3-(benzyloxy)-4-methylphenyl]borinic acid","C14 H15 B O2","Cc2c(OCc1ccccc1)cc(cc2)BO;Cc1ccc(BO)cc1OCc2ccccc2;B(c1ccc(c(c1)OCc2ccccc2)C)O","InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3","","2016-11-21","2024-09-27","[3-(benzyloxy)-4-methylphenyl]borinic acid","2017-12-06"],["R3T","[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4-acetyloxy-15-[(2~{R},3~{S})-3-(2-bromanylethanoylamino)-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,16,16-tetramethyl-1,9,12-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate","C40 H46 Br N O13","CC(=O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[CH](OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](O)[CH](NC(=O)CBr)c6ccccc6)C(=C([CH](O)C3=O)C5(C)C)C;CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)CBr)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O","InChI=1S/C40H46BrNO13/c1-20-24(53-36(50)31(47)29(42-27(45)18-41)22-12-8-6-9-13-22)17-40(51)34(54-35(49)23-14-10-7-11-15-23)32-38(5,33(48)30(46)28(20)37(40,3)4)25(44)16-26-39(32,19-52-26)55-21(2)43/h6-15,24-26,29-32,34,44,46-47,51H,16-19H2,1-5H3,(H,42,45)/t24-,25-,26+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1","","2020-08-31","2023-03-17","[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4-acetyloxy-15-[(2~{R},3~{S})-3-(2-bromanylethanoylamino)-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,16,16-tetramethyl-1,9,12-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate","2023-03-22"],["7NO","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] (2~{S})-2-azanyl-4-methylsulfanyl-butanoate","C15 H23 N6 O8 P S","CSCC[CH](N)C(=O)O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2cnc3c(N)ncnc23;CSCCC(C(=O)OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O)N","InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(23)29-11-8(4-27-30(24,25)26)28-14(10(11)22)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22H,2-4,16H2,1H3,(H2,17,18,19)(H2,24,25,26)/t7-,8+,10+,11+,14+/m0/s1","","2021-08-09","2022-07-15","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] (2~{S})-2-azanyl-4-methylsulfanyl-butanoate","2022-07-20"],["R3U","(4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide","C33 H47 F4 N O6 S","CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCC(=O)N[S](=O)(=O)c4ccc(OC(F)(F)F)cc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15;CCC1C2C(C(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F)C)C)O)F","InChI=1S/C33H47F4NO6S/c1-5-21-28-29(34)25(39)15-17-32(28,4)24-14-16-31(3)22(11-12-23(31)27(24)30(21)41)18(2)6-13-26(40)38-45(42,43)20-9-7-19(8-10-20)44-33(35,36)37/h7-10,18,21-25,27-30,39,41H,5-6,11-17H2,1-4H3,(H,38,40)/t18-,21-,22-,23-,24+,25-,27+,28-,29+,30-,31-,32-/m1/s1","","2022-11-23","2025-09-05","(4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide","2025-09-10"],["7NP","(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one","C12 H14 O2","O=C2c1c(ccc(OC)c1)CCC2C;COc1ccc2CC[CH](C)C(=O)c2c1;CC1CCc2ccc(cc2C1=O)OC","InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1","Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE","2014-06-09","2024-09-27","(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one","2014-07-23"],["R3V","(5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol","C29 H33 N O2","C1C(C)CCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5;C[CH]1CCN(CCOc2ccc(cc2)[CH]3[CH](CCc4cc(O)ccc34)c5ccccc5)C1;CC1CCN(C1)CCOc2ccc(cc2)C3c4ccc(cc4CCC3c5ccccc5)O","InChI=1S/C29H33NO2/c1-21-15-16-30(20-21)17-18-32-26-11-7-23(8-12-26)29-27(22-5-3-2-4-6-22)13-9-24-19-25(31)10-14-28(24)29/h2-8,10-12,14,19,21,27,29,31H,9,13,15-18,20H2,1H3/t21-,27+,29-/m0/s1","","2020-01-29","2020-01-31","(5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol","2020-02-05"],["7NQ","~{N}-(4-ethoxyquinazolin-2-yl)propanamide","C13 H15 N3 O2","CCOc1nc(NC(=O)CC)nc2ccccc12;CCC(=O)Nc1nc2ccccc2c(n1)OCC","InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)","","2016-11-28","2024-09-27","~{N}-(4-ethoxyquinazolin-2-yl)propanamide","2017-11-01"],["R3W","chloroacetic acid","C2 H3 Cl O2","ClCC(=O)O;OC(=O)CCl;C(C(=O)O)Cl","InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)","","2011-03-22","2024-09-27","chloroacetic acid",""],["7NR","9-Hydroxyoctadecanoic acid","C18 H36 O3","CCCCCCCCC[CH](O)CCCCCCCC(O)=O;CCCCCCCCCC(CCCCCCCC(=O)O)O","InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1","9-Hydroxystearic acid","2023-02-16","2023-03-10","(9~{S})-9-oxidanyloctadecanoic acid","2023-03-15"],["7NS","[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid","C10 H13 B Br N O","Brc1cc(BO)cc(c1)N2CCCC2;OBc1cc(Br)cc(c1)N2CCCC2;B(c1cc(cc(c1)Br)N2CCCC2)O","InChI=1S/C10H13BBrNO/c12-9-5-8(11-14)6-10(7-9)13-3-1-2-4-13/h5-7,11,14H,1-4H2","","2016-11-21","2024-09-27","[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid","2017-12-06"],["R3X","Resveratrol-3-O-glucuronide","C20 H20 O9","O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2;c1cc(ccc1C=Cc2cc(cc(c2)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O","InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1","","2015-03-05","2015-10-16","(2S,3S,4S,5R,6S)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2015-10-21"],["7NT","~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide","C13 H16 N4 O2 S","CCC(=O)Nc1nc2sccc2c(n1)N3CCOCC3;CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3","InChI=1S/C13H16N4O2S/c1-2-10(18)14-13-15-11(17-4-6-19-7-5-17)9-3-8-20-12(9)16-13/h3,8H,2,4-7H2,1H3,(H,14,15,16,18)","","2016-11-28","2024-09-27","~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide","2017-11-01"],["R3Y","1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione","C23 H21 Cl F N3 O3 S","Cc4cc(Cl)cc(c2ccnc3cc(CN1C(CCC1=O)=O)sc23)c4OC5CNCC5F;Cc1cc(Cl)cc(c1O[CH]2CNC[CH]2F)c3ccnc4cc(CN5C(=O)CCC5=O)sc34;Cc1cc(cc(c1OC2CNCC2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl","InChI=1S/C23H21ClFN3O3S/c1-12-6-13(24)7-16(22(12)31-19-10-26-9-17(19)25)15-4-5-27-18-8-14(32-23(15)18)11-28-20(29)2-3-21(28)30/h4-8,17,19,26H,2-3,9-11H2,1H3/t17-,19+/m0/s1","","2020-01-29","2020-06-08","1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}pyrrolidine-2,5-dione","2020-04-29"],["81P","4-(methylamino)benzoic acid","C8 H9 N O2","CNc1ccc(cc1)C(O)=O;CNc1ccc(cc1)C(O)=O;CNc1ccc(cc1)C(=O)O","InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)","","2016-12-14","2017-03-10","4-(methylamino)benzoic acid","2017-03-15"],["R3Z","1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione","C15 H12 N2 O5 S","c1ccc2c(c1)OCC(O2)CN4c3ccsc3C(=O)N(C4=O)O;ON1C(=O)N(C[CH]2COc3ccccc3O2)c4ccsc4C1=O;c1ccc2c(c1)OCC(O2)CN3c4ccsc4C(=O)N(C3=O)O","InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2/t9-/m0/s1","","2016-02-04","2016-08-12","1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione","2016-08-17"],["81Q","[(2R)-1-[[(1S,2R,3R,4S,5S,6R)-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecoxy-propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","C63 H115 O13 P","CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C1OC(=O)CCCCCCCCCCCCCCC)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C63H115O13P/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-38-41-44-47-50-56(64)74-55(53-72-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)54-73-77(70,71)76-63-61(69)59(67)58(66)60(68)62(63)75-57(65)51-48-45-42-39-35-32-24-21-18-15-12-9-6-3/h16,19,25,27,30,33,38,41,55,58-63,66-69H,4-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3,(H,70,71)/b19-16-,27-25-,33-30-,41-38-/t55-,58+,59+,60-,61-,62-,63+/m1/s1","","2023-03-15","2023-08-11","[(2~{R})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecoxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate","2023-08-16"],["R40","N~2~-[(benzyloxy)carbonyl]-L-arginine","C14 H20 N4 O4","N=C(/NCCCC(NC(=O)OCc1ccccc1)C(=O)O)N;NC(=N)NCCC[CH](NC(=O)OCc1ccccc1)C(O)=O;c1ccc(cc1)COC(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1","","2016-03-28","2017-03-31","N~2~-[(benzyloxy)carbonyl]-L-arginine","2017-04-05"],["R41","[(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone","C18 H19 Cl N4 O2","c1(cc(ccn1)c2cc(cc3c2OC(C3)C(=O)N4CCNCC4)Cl)N;Nc1cc(ccn1)c2cc(Cl)cc3C[CH](Oc23)C(=O)N4CCNCC4;c1cnc(cc1c2cc(cc3c2OC(C3)C(=O)N4CCNCC4)Cl)N","InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)/t15-/m1/s1","","2020-01-29","2020-04-24","[(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone","2020-04-29"],["81R","(4R)-4,5-disulfanyl-L-norvaline","C5 H11 N O2 S2","O=C(O)C(N)CC(S)CS;N[CH](C[CH](S)CS)C(O)=O;C(C(CS)S)C(C(=O)O)N","InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1","","2014-02-19","2024-09-27","(4R)-4,5-disulfanyl-L-norvaline","2014-09-24"],["R42","[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4-acetyloxy-15-[(2~{R},3~{S})-3-[(4-methoxy-2-methylidene-4-oxidanylidene-butanoyl)amino]-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,16,16-tetramethyl-1,9,12-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate","C44 H51 N O15","COC(=O)CC(=C)C(=O)N[CH]([CH](O)C(=O)O[CH]1C[C]2(O)[CH](OC(=O)c3ccccc3)[CH]4[C](C)([CH](O)C[CH]5OC[C]45OC(C)=O)C(=O)[CH](O)C(=C1C)C2(C)C)c6ccccc6;CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)C(=C)CC(=O)OC)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O","InChI=1S/C44H51NO15/c1-22(18-30(48)56-7)38(52)45-32(25-14-10-8-11-15-25)34(50)40(54)58-27-20-44(55)37(59-39(53)26-16-12-9-13-17-26)35-42(6,36(51)33(49)31(23(27)2)41(44,4)5)28(47)19-29-43(35,21-57-29)60-24(3)46/h8-17,27-29,32-35,37,47,49-50,55H,1,18-21H2,2-7H3,(H,45,52)/t27-,28-,29+,32-,33+,34+,35-,37-,42+,43-,44+/m0/s1","","2020-08-31","2023-03-17","[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4-acetyloxy-15-[(2~{R},3~{S})-3-[(4-methoxy-2-methylidene-4-oxidanylidene-butanoyl)amino]-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,16,16-tetramethyl-1,9,12-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate","2023-03-22"],["81S","(4S)-4,5-disulfanyl-L-norvaline","C5 H11 N O2 S2","O=C(O)C(N)CC(S)CS;N[CH](C[CH](S)CS)C(O)=O;C(C(CS)S)C(C(=O)O)N","InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1","","2014-02-19","2024-09-27","(4S)-4,5-disulfanyl-L-norvaline","2014-09-24"],["R43","(4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H20 Cl N5 O3 S","N#CC1CN(C1)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)N5CC(C5)C#N;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)N5CC(C5)C#N","InChI=1S/C23H20ClN5O3S/c24-18-6-5-17-13-29(33(31,32)28-11-15(8-25)12-28)14-21(20(17)7-18)23(30)27-22-10-26-9-16-3-1-2-4-19(16)22/h1-7,9-10,15,21H,11-14H2,(H,27,30)/t21-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["81T","~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide","C10 H20 N2 O2","CC(=O)N[CH]1CC(C)(C)N(O)C1(C)C;CC(=O)NC1CC(N(C1(C)C)O)(C)C","InChI=1S/C10H20N2O2/c1-7(13)11-8-6-9(2,3)12(14)10(8,4)5/h8,14H,6H2,1-5H3,(H,11,13)/t8-/m1/s1","","2021-09-27","2024-09-27","~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide","2022-07-20"],["R44","1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione","C25 H23 Cl N4 O4 S","c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56;Clc1cc2C[CH](Oc2c(c1)c3ccnc4cc(CN5C(=O)CCC5=O)sc34)C(=O)N6CCNCC6;c1cnc2cc(sc2c1c3cc(cc4c3OC(C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O","InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1","","2020-01-29","2020-06-08","1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione","2020-04-29"],["81U","3-azanylphenazin-2-ol","C12 H9 N3 O","Nc1cc2nc3ccccc3nc2cc1O;c1ccc2c(c1)nc3cc(c(cc3n2)O)N","InChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2","","2017-03-21","2018-03-16","3-azanylphenazin-2-ol","2018-03-21"],["R45","N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al\npha-glutamine","C29 H32 Br N4 O10 P","O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc3onc(c2ccccc2)c3)CCC(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)[CH](Cc1onc(c1)c2ccccc2)C[P](O)(=O)c3ccc(Br)cc3;c1ccc(cc1)c2cc(on2)CC(CP(=O)(c3ccc(cc3)Br)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C29H32BrN4O10P/c30-19-6-8-21(9-7-19)45(42,43)16-18(14-20-15-24(34-44-20)17-4-2-1-3-5-17)28(40)33-23(11-13-26(37)38)29(41)32-22(27(31)39)10-12-25(35)36/h1-9,15,18,22-23H,10-14,16H2,(H2,31,39)(H,32,41)(H,33,40)(H,35,36)(H,37,38)(H,42,43)/t18-,22+,23+/m1/s1","RXP470A","2012-10-04","2020-06-17","N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine","2013-02-01"],["81V","N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide","C25 H27 F2 N3 O5","c3c(C#Cc1ccc(C(=O)NC(C(=O)NO)C(C)(O)C(F)F)cc1)ccc(CN2CCOCC2)c3;C[C](O)(C(F)F)[CH](NC(=O)c1ccc(cc1)C#Cc2ccc(CN3CCOCC3)cc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O","InChI=1S/C25H27F2N3O5/c1-25(33,24(26)27)21(23(32)29-34)28-22(31)20-10-8-18(9-11-20)3-2-17-4-6-19(7-5-17)16-30-12-14-35-15-13-30/h4-11,21,24,33-34H,12-16H2,1H3,(H,28,31)(H,29,32)/t21-,25+/m1/s1","","2016-12-14","2017-08-04","N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide","2017-08-09"],["81X","4-(aminomethyl)phthalazin-1(2H)-one","C9 H9 N3 O","O=C1NN=C(CN)c2ccccc12;NCC1=NNC(=O)c2ccccc12;c1ccc2c(c1)C(=NNC2=O)CN","InChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13)","","2021-09-02","2022-01-21","4-(aminomethyl)phthalazin-1(2H)-one","2022-01-26"],["R46","N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE","C23 H27 Br N2 O S","Brc3ccc1c(snc1c2ccc(OCCCCCCN(CC=C)C)cc2)c3;CN(CCCCCCOc1ccc(cc1)c2nsc3cc(Br)ccc23)CC=C;CN(CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C","InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3","","2002-08-25","2011-06-04","6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine",""],["R47","N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine","C35 H35 Br Cl N4 O10 P","O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)CCC(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)[CH](Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3)C[P](O)(=O)c4ccc(Br)cc4;c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CC(CP(=O)(c4ccc(cc4)Br)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1","RXP470.1","2012-09-14","2021-03-01","N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine","2013-02-01"],["81Y","3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole","C19 H22 N4 O2","CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4;CC(C)Oc1ccc2[nH]nc(c3ccnc(c3)N4CCOCC4)c2c1;CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4","InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)","MLi-2","2016-12-15","2021-03-01","3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole","2017-03-15"],["R48","1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea","C29 H30 N8 O","O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3cccc(Nc4ncnc5ccc(N)cc45)c3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N","InChI=1S/C29H30N8O/c1-18-8-11-22(12-9-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-7-5-6-20(15-21)33-27-23-14-19(30)10-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)","1-(3-(6-aminoquinazolin-4-ylamino)phenyl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea","2009-03-06","2021-03-01","1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea",""],["820","(2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid","C23 H26 F3 N O4","CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)CC(CC)C(=O)O","InChI=1S/C23H26F3NO4/c1-3-11-31-20-10-5-15(12-16(4-2)22(29)30)13-18(20)14-27-21(28)17-6-8-19(9-7-17)23(24,25)26/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1","","2021-11-15","2022-02-04","(2~{S})-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid","2022-02-09"],["821","[4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET\nIC ACID","C33 H33 N3 O6","O=C(O)Cc1ccc(cc1C=O)C=C(/NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)NC(=Cc1ccc(CC(O)=O)c(C=O)c1)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(=Cc1ccc(c(c1)C=O)CC(=O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1","RU82129","2003-06-20","2024-09-27","{4-[(1Z)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-en-1-yl]-2-formylphenyl}acetic acid",""],["R49","1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea","C30 H31 N7 O","O=C(Nc3ccc(Nc1c2cc(N)ccc2ncc1)cc3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C;Cc1cccc(c1)n2nc(cc2NC(=O)Nc3ccc(Nc4ccnc5ccc(N)cc45)cc3)C(C)(C)C;Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N","InChI=1S/C30H31N7O/c1-19-6-5-7-23(16-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-11-9-21(10-12-22)33-26-14-15-32-25-13-8-20(31)17-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)","","2009-06-16","2011-06-04","1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea",""],["822","N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE","C31 H34 F2 N3 O6 P","FC(F)(c1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4)P(=O)(O)O;CC(=O)N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1","RU82209","2003-06-20","2020-06-17","Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]-L-phenylalaninamide",""],["R4A","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM","C44 H61 N7 O Ru","O(c1cccc(N(C)C)c1)CCCCC2=CCN8C3=C4C(C=CC23)=CC=CN4[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10;CN(C)c1cccc(OCCCCC2=CCN3C4=C5N(C=CC=C5C=C[CH]24)[Ru]367(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24","InChI=1S/C24H27N3O.C10H18N2.C10H16N2.Ru/c1-27(2)20-9-5-10-21(17-20)28-16-4-3-7-18-13-15-26-24-22(18)12-11-19-8-6-14-25-23(19)24;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h5-6,8-14,17,22H,3-4,7,15-16H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6/t;9-,10?;9?,10-;/m.11./s1","","2005-05-26","2011-06-04","[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]butoxy}anilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["R4B","N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a\nlanyl-L-alaninamide","C31 H31 Br Cl N4 O6 P","O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)C)C;C[CH](NC(=O)[CH](C)NC(=O)[CH](Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3)C[P](O)(=O)c4ccc(Br)cc4)C(N)=O;CC(C(=O)N)NC(=O)C(C)NC(=O)C(Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O","InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1","RXP470B","2012-10-04","2020-06-17","N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alanyl-L-alaninamide","2013-02-01"],["823","N,N-bis(3-sulfanylpropyl)-L-asparagine","C10 H20 N2 O3 S2","O=C(O)C(N)CC(=O)N(CCCS)CCCS;N[CH](CC(=O)N(CCCS)CCCS)C(O)=O;C(CN(CCCS)C(=O)CC(C(=O)O)N)CS","InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1","","2014-02-19","2024-09-27","N,N-bis(3-sulfanylpropyl)-L-asparagine","2014-09-24"],["R4C","N-{(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alanyl-L-alaninamid\ne","C25 H28 Br N4 O6 P","O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc3onc(c2ccccc2)c3)C)C;C[CH](NC(=O)[CH](C)NC(=O)[CH](Cc1onc(c1)c2ccccc2)C[P](O)(=O)c3ccc(Br)cc3)C(N)=O;CC(C(=O)N)NC(=O)C(C)NC(=O)C(Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O","InChI=1S/C25H28BrN4O6P/c1-15(23(27)31)28-24(32)16(2)29-25(33)18(14-37(34,35)21-10-8-19(26)9-11-21)12-20-13-22(30-36-20)17-6-4-3-5-7-17/h3-11,13,15-16,18H,12,14H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33)(H,34,35)/t15-,16-,18+/m0/s1","RXP470C","2012-10-04","2020-06-17","N-{(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alanyl-L-alaninamide","2013-02-01"],["824","9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE","C20 H12 N2 O3","O=C5c4c2c1cc(O)ccc1nc2cc(c3ccccc3)c4C(=O)N5;Oc1ccc2[nH]c3cc(c4ccccc4)c5C(=O)NC(=O)c5c3c2c1;c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O","InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)","9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE","2004-08-25","2021-03-13","9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione",""],["R4D","3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one","C24 H27 N3 O3","CC(C(=O)N3CCC(O)(CN2C=Nc1c(cccc1)C2=O)CC3)Cc4ccccc4;C[CH](Cc1ccccc1)C(=O)N2CCC(O)(CC2)CN3C=Nc4ccccc4C3=O;CC(Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O","InChI=1S/C24H27N3O3/c1-18(15-19-7-3-2-4-8-19)22(28)26-13-11-24(30,12-14-26)16-27-17-25-21-10-6-5-9-20(21)23(27)29/h2-10,17-18,30H,11-16H2,1H3/t18-/m1/s1","","2020-01-29","2020-04-24","3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one","2020-04-29"],["825","[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid","C22 H18 Br F2 O4 P","Brc1cc(ccc1C(F)(F)P(=O)(O)O)CC(c2ccccc2)C(=O)c3ccccc3;O[P](O)(=O)C(F)(F)c1ccc(C[CH](C(=O)c2ccccc2)c3ccccc3)cc1Br;c1ccc(cc1)C(Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3","InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29)/t18-/m1/s1","","2008-04-28","2011-06-04","[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid",""],["826","1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE","C25 H22 N2 O3","O=C(N3CCc2c1c(cccc1)n(c2C3)Cc4ccc(O)cc4)c5ccc(O)cc5;Oc1ccc(Cn2c3CN(CCc3c4ccccc24)C(=O)c5ccc(O)cc5)cc1;c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O","InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2","","2001-02-14","2011-06-04","4-{[9-(4-hydroxybenzyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonyl}phenol",""],["R4E","5-amino-3-pentylisoquinolin-1(2H)-one","C14 H18 N2 O","O=C1c2cccc(c2C=C(N1)CCCCC)N;CCCCCC1=Cc2c(N)cccc2C(=O)N1;CCCCCC1=Cc2c(cccc2N)C(=O)N1","InChI=1S/C14H18N2O/c1-2-3-4-6-10-9-12-11(14(17)16-10)7-5-8-13(12)15/h5,7-9H,2-4,6,15H2,1H3,(H,16,17)","","2014-08-08","2015-07-24","5-amino-3-pentylisoquinolin-1(2H)-one","2015-07-29"],["827","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside","C19 H38 N4 O10","C1(C(C(O)C(C(CO)O1)O)N)OC2C(N)CC(C(C2O)OC3OCC(O)(C)C(C3O)NC)N;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N)[CH]2O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O","InChI=1S/C19H38N4O10/c1-19(29)5-30-18(13(28)16(19)23-2)33-15-7(21)3-6(20)14(12(15)27)32-17-9(22)11(26)10(25)8(4-24)31-17/h6-18,23-29H,3-5,20-22H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1","","2016-12-15","2017-10-27","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside","2017-11-01"],["R4F"," 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form","C13 H13 N O2","CC(C)C(=O)n1cc(C=O)c2ccccc21;CC(C)C(=O)n1cc(C=O)c2ccccc12;CC(C)C(=O)n1cc(c2c1cccc2)C=O","InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3","","2022-06-16","2024-09-27","1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde","2022-10-12"],["828","N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","C22 H19 Cl N8 O4 S","Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/S(N)(=O)=O)c3C2=O)cn1;Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(C=C[S](N)(=O)=O)c3C2=O;Cn1cc(cn1)C#CCN2C=Nc3c(c(cn3CC(=O)Nc4ccncc4Cl)C=CS(=O)(=O)N)C2=O","InChI=1S/C22H19ClN8O4S/c1-29-11-15(9-27-29)3-2-7-30-14-26-21-20(22(30)33)16(5-8-36(24,34)35)12-31(21)13-19(32)28-18-4-6-25-10-17(18)23/h4-6,8-12,14H,7,13H2,1H3,(H2,24,34,35)(H,25,28,32)/b8-5+","","2021-08-19","2022-11-04","N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide","2022-11-09"],["R4G","Resveratrol-4'-O-glucuronide","C20 H20 O9","O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)C=Cc3cc(O)cc(O)c3;c1cc(ccc1C=Cc2cc(cc(c2)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O","InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1","","2015-03-05","2015-10-16","(2S,3S,4S,5R,6S)-6-[4-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2015-10-21"],["R4H","2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one","C27 H34 N6 O3","COc1ccc(cc1OCc2ccc(cc2)c3[nH]nnn3)[CH]4NN(C5CCCCCC5)C(=O)C4(C)C;CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C","InChI=1S/C27H34N6O3/c1-27(2)24(30-33(26(27)34)21-8-6-4-5-7-9-21)20-14-15-22(35-3)23(16-20)36-17-18-10-12-19(13-11-18)25-28-31-32-29-25/h10-16,21,24,30H,4-9,17H2,1-3H3,(H,28,29,31,32)/t24-/m1/s1","","2020-09-01","2021-10-01","2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one","2021-10-06"],["829","5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine","C15 H17 N5 O5","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3ccncc3;NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)c3ccncc3)[CH](O)[CH]2O;c1cnccc1C(=O)NCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","InChI=1S/C15H17N5O5/c16-10-3-6-20(15(24)19-10)14-12(22)11(21)9(25-14)7-18-13(23)8-1-4-17-5-2-8/h1-6,9,11-12,14,21-22H,7H2,(H,18,23)(H2,16,19,24)/t9-,11-,12-,14-/m1/s1","","2009-10-28","2011-06-04","5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine",""],["82A","(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE","C22 H17 Cl2 F N4 O2","Fc1ccc(cc1Cl)C(NC(=O)c4cc(c3nncc3c2cc(Cl)ccc2)cn4)CO;OC[CH](NC(=O)c1[nH]cc(c1)c2n[nH]cc2c3cccc(Cl)c3)c4ccc(F)c(Cl)c4;c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)NC(CO)c4ccc(c(c4)Cl)F","InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)/t20-/m1/s1","","2007-01-15","2011-06-04","N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide",""],["R4I","(8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile","C29 H30 N4 O2","CCC[CH]1CN(CC(=O)N2CCc3ccccc23)CC4=C1NC(=O)C(=C4c5ccc(C)cc5)C#N;CCCC1CN(CC2=C1NC(=O)C(=C2c3ccc(cc3)C)C#N)CC(=O)N4CCc5c4cccc5","InChI=1S/C29H30N4O2/c1-3-6-22-16-32(18-26(34)33-14-13-20-7-4-5-8-25(20)33)17-24-27(21-11-9-19(2)10-12-21)23(15-30)29(35)31-28(22)24/h4-5,7-12,22H,3,6,13-14,16-18H2,1-2H3,(H,31,35)/t22-/m0/s1","","2022-11-23","2022-12-29","(8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile","2022-12-28"],["R4J","[(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone","C23 H23 Cl2 N3 O4 S","c4(Cl)cc(c1ccnc2cc(C(CO)(CCl)O)sc12)c3OC(Cc3c4)C(N5CCNCC5)=O;OC[C](O)(CCl)c1sc2c(c1)nccc2c3cc(Cl)cc4C[CH](Oc34)C(=O)N5CCNCC5;c1cnc2cc(sc2c1c3cc(cc4c3OC(C4)C(=O)N5CCNCC5)Cl)C(CO)(CCl)O","InChI=1S/C23H23Cl2N3O4S/c24-11-23(31,12-29)19-10-17-21(33-19)15(1-2-27-17)16-9-14(25)7-13-8-18(32-20(13)16)22(30)28-5-3-26-4-6-28/h1-2,7,9-10,18,26,29,31H,3-6,8,11-12H2/t18-,23+/m1/s1","","2020-01-29","2020-04-24","[(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone","2020-04-29"],["82B","3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide","C26 H30 Br N7 O2","Brc1cc(n(c1)C)C(=O)Nc2c5c(nn2)C6(N(C(=O)NC(c3ccccc3)CN4CCCC4)C5)CC6;Cn1cc(Br)cc1C(=O)Nc2[nH]nc3c2CN(C(=O)N[CH](CN4CCCC4)c5ccccc5)C36CC6;Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)NC(CN5CCCC5)c6ccccc6)Br","InChI=1S/C26H30BrN7O2/c1-32-14-18(27)13-21(32)24(35)29-23-19-15-34(26(9-10-26)22(19)30-31-23)25(36)28-20(16-33-11-5-6-12-33)17-7-3-2-4-8-17/h2-4,7-8,13-14,20H,5-6,9-12,15-16H2,1H3,(H,28,36)(H2,29,30,31,35)/t20-/m1/s1","","2013-04-30","2014-09-05","3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-2',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide","2013-08-21"],["R4K","(2S,3R)-2-azanyl-3-hydroxy-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid","C11 H12 N2 O5","O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O;N[CH]([CH](O)[C]1(O)C(=O)Nc2ccccc12)C(O)=O;c1ccc2c(c1)C(C(=O)N2)(C(C(C(=O)O)N)O)O","InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1","","2011-03-25","2024-09-27","(3R)-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-serine",""],["82D","(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine","C22 H25 Br F N3","c12c(cccc1)n(cc2C4CN(Cc3c(Br)cccc3F)CC4N(C)C)C;CN(C)[CH]1CN(C[CH]1c2cn(C)c3ccccc23)Cc4c(F)cccc4Br;Cn1cc(c2c1cccc2)C3CN(CC3N(C)C)Cc4c(cccc4Br)F","InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1","","2016-12-15","2017-03-10","(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine","2017-03-15"],["R4L","11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C35 H44 N8 O3","O=C2c7ccccc7N(c1nc(ncc1N2C)Nc3ccc(cc3OC)C(=O)N5CCC(N4CCN(CC4)C)CC5)C6CCCC6;COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7;CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7","InChI=1S/C35H44N8O3/c1-39-18-20-41(21-19-39)25-14-16-42(17-15-25)33(44)24-12-13-28(31(22-24)46-3)37-35-36-23-30-32(38-35)43(26-8-4-5-9-26)29-11-7-6-10-27(29)34(45)40(30)2/h6-7,10-13,22-23,25-26H,4-5,8-9,14-21H2,1-3H3,(H,36,37,38)","","2012-09-03","2014-09-05","11-cyclopentyl-2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2012-09-14"],["82E","5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","C13 H12 N4 O3 S2","COc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O;COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N","InChI=1S/C13H12N4O3S2/c1-20-10-4-2-9(3-5-10)17-8-11(15-16-17)12-6-7-13(21-12)22(14,18)19/h2-8H,1H3,(H2,14,18,19)","","2015-10-22","2015-11-06","5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","2015-11-11"],["82F","N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide","C27 H38 N6 O2","CCCN(CCC)C[CH]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24;CCCN(CCC)CC1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4","InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m0/s1","","2017-03-24","2018-11-16","~{N}-[2-[(2~{S})-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5~{H}-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide","2018-11-21"],["R4M","(2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid","C21 H26 O2","O=C(O)C=C(/C)CC/C=C(C=C2c1c(cccc1)C(CC2)C)C;C[CH]1CCC(=CC(C)=CCCC(C)=CC(O)=O)c2ccccc12;CC1CCC(=CC(=CCCC(=CC(=O)O)C)C)c2c1cccc2","InChI=1S/C21H26O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-5,7,9-10,13-14,17H,6,8,11-12H2,1-3H3,(H,22,23)/b15-7-,16-14+,18-13+/t17-/m1/s1","","2013-09-13","2014-01-17","(2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid","2014-01-22"],["82G","(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine","C24 H28 F N3","c1c2c(ccc1)n(cc2C5CN(C4CCc3cccc(c34)F)CC5N(C)C)C;CN(C)[CH]1CN(C[CH]1c2cn(C)c3ccccc23)[CH]4CCc5cccc(F)c45;Cn1cc(c2c1cccc2)C3CN(CC3N(C)C)C4CCc5c4c(ccc5)F","InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1","","2016-12-15","2017-03-10","(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine","2017-03-15"],["R4N","4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide","C25 H21 Cl N2 O4 S","Clc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NC[CH]4COc5ccccc5O4)c1;c1ccc2c(c1)OCC(O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl","InChI=1S/C25H21ClN2O4S/c26-18-5-3-4-16(10-18)13-28-20-11-17(8-9-23(20)33-15-24(28)29)25(30)27-12-19-14-31-21-6-1-2-7-22(21)32-19/h1-11,19H,12-15H2,(H,27,30)/t19-/m0/s1","","2015-03-08","2015-05-08","4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide","2015-05-13"],["82H","Velsecorat","C32 H32 F2 N4 O6","C[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc2n(ncc2c1)c3cccc(c3)C(=O)N[CH]4CCOC4)c5ccc6OCCOc6c5;CC(C(c1ccc2c(c1)OCCO2)Oc3ccc4c(c3)cnn4c5cccc(c5)C(=O)NC6CCOC6)NC(=O)C(C)(F)F","InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1","3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide; 3-[5-[(1R,2S)-2-[2,2-bis(fluoranyl)propanoylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide","2021-09-28","2023-02-03","3-[5-[(1~{R},2~{S})-2-[2,2-bis(fluoranyl)propanoylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-~{N}-[(3~{R})-oxolan-3-yl]benzamide","2023-02-08"],["R4O","methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate","C12 H13 N5 O6 S2","COC(=O)c1sccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2;Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccsc2C(=O)OC","InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)","Thifensulfuron-methyl","2023-03-31","2023-07-28","methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate","2023-08-02"],["R4P","1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid","C21 H17 N3 O2","c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O;Cn1nnc2cc(cc(C(O)=O)c12)c3ccc(cc3)c4ccccc4C;Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O","InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26)","","2020-01-30","2020-10-30","1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid","2020-11-04"],["82I","4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one","C6 H8 Cl N3 O","CNC1=C(Cl)C(=O)N(C)N=C1;CNC1=C(C(=O)N(N=C1)C)Cl","InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3","","2016-12-06","2017-12-15","4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one","2017-12-20"],["82J","3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide","C31 H36 N4 O6 S","c3(cc4C(Nc1cc(ccc1)C(=O)N)C(N(Cc2cc(ccc2S(=O)(C(C)C)=O)NC(OCCc3cc4)=O)C)=O)CC;CCc1cc2ccc1CCOC(=O)Nc3ccc(c(CN(C)C(=O)[CH]2Nc4cccc(c4)C(N)=O)c3)[S](=O)(=O)C(C)C;CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)C2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C","InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1","","2016-12-15","2017-05-05","3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide","2017-05-10"],["R4Q","(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid","C24 H21 Cl F N O6","C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O;CC(C(=O)N1CCCC(C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F","InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1","","2020-09-01","2020-12-25","(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid","2020-12-30"],["R4R","4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form","C24 H27 N3 O2","CN1CCN(CC1)c1ccc(cc1)c1cccc2n(cc(C=O)c21)C(=O)C(C)C;CC(C)C(=O)n1cc(C=O)c2c1cccc2c3ccc(cc3)N4CCN(C)CC4;CC(C)C(=O)n1cc(c2c1cccc2c3ccc(cc3)N4CCN(CC4)C)C=O","InChI=1S/C24H27N3O2/c1-17(2)24(29)27-15-19(16-28)23-21(5-4-6-22(23)27)18-7-9-20(10-8-18)26-13-11-25(3)12-14-26/h4-10,15-17H,11-14H2,1-3H3","","2022-06-16","2024-09-27","4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde","2022-10-12"],["82K","(2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid","C26 H32 F3 N O4","CCCCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F;CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)CC(CC)C(=O)O","InChI=1S/C26H32F3NO4/c1-3-5-6-7-14-34-23-13-8-18(15-19(4-2)25(32)33)16-21(23)17-30-24(31)20-9-11-22(12-10-20)26(27,28)29/h8-13,16,19H,3-7,14-15,17H2,1-2H3,(H,30,31)(H,32,33)/t19-/m0/s1","","2021-11-15","2022-02-04","(2~{S})-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid","2022-02-09"],["R4S","N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide","C18 H22 F N7 O2","n1cc(cn1CCO)Nc2ncc(c(n2)N3CC4C(C3)(C4)NC(C5CC5)=O)F;OCCn1cc(Nc2ncc(F)c(n2)N3C[CH]4C[C]4(C3)NC(=O)C5CC5)cn1;c1c(cn(n1)CCO)Nc2ncc(c(n2)N3CC4CC4(C3)NC(=O)C5CC5)F","InChI=1S/C18H22FN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12-,18-/m1/s1","","2020-01-30","2020-04-03","N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide","2020-04-08"],["82L","2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid","C32 H32 F2 N6 O3","Fc1ccc(COc2cccc(n2)C2CCN(Cc3nc4ccc(cc4n3Cc3cncn3CC)C(=O)O)CC2)c(F)c1;CCn1cncc1Cn2c(CN3CCC(CC3)c4cccc(OCc5ccc(F)cc5F)n4)nc6ccc(cc26)C(O)=O;CCn1cncc1Cn2c3cc(ccc3nc2CN4CCC(CC4)c5cccc(n5)OCc6ccc(cc6F)F)C(=O)O","InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42)","","2021-09-03","2022-06-03","2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid","2022-06-08"],["R4T","9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine","C20 H24 F2 N10 O8 P2 S2","[NH3+]c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](S)(=O)O[CH]4[CH]3F)n6cnc7c([NH3+])ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)S)OC(C5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+]","InChI=1S/C20H22F2N10O8P2S2/c21-9-13-7(37-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-35-41(33,43)40-14-8(2-36-42(34,44)39-13)38-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,43)(H,34,44)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-,41-,42-/m1/s1","","2020-09-02","2021-10-01","[9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-azaniumylpurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-yl]azanium","2021-10-06"],["82M","N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide","C18 H18 Cl F N4 O2 S","C(C(NC(=O)c1nc(cc1)c2cc(F)c(Cl)cc2)c3sc(c(C)n3)CO)N;Cc1nc(sc1CO)[CH](CN)NC(=O)c2[nH]c(cc2)c3ccc(Cl)c(F)c3;Cc1c(sc(n1)C(CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO","InChI=1S/C18H18ClFN4O2S/c1-9-16(8-25)27-18(22-9)15(7-21)24-17(26)14-5-4-13(23-14)10-2-3-11(19)12(20)6-10/h2-6,15,23,25H,7-8,21H2,1H3,(H,24,26)/t15-/m0/s1","","2016-12-16","2017-03-17","N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide","2017-03-22"],["R4U","~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine","C11 H16 N6","Nc1nc(NC2CCCCC2)c3c[nH]nc3n1;c1c2c(nc(nc2NC3CCCCC3)N)n[nH]1","InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)","","2022-11-23","2023-11-24","~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine","2023-11-29"],["82N","NICKEL IRON CLSUTER WITH CYANIDE BOUND","C Fe3 N Ni S4","N#C[Ni]12[S+]3[Fe]|456S[Fe]78|4[S+]5[Fe]1367[S+]28;C(#N)[Ni]12[S+]3[Fe]1456[S+]2[Fe]478[Fe]53([S+]67)S8","InChI=1S/CN.3Fe.Ni.4S/c1-2;;;;;;;;/q;;;;;;3*+1","","2015-10-26","2016-09-09","","2016-09-14"],["82O","(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide","C28 H39 N5 O2","CC(C)C[CH]1C[CH](C1)c2nnc([CH]3CN(C[CH]3C(=O)Nc4ccc(C)cc4C)C(C)=O)n2C5CC5;Cc1ccc(c(c1)C)NC(=O)C2CN(CC2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C","InChI=1S/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/m0/s1","","2017-03-27","2017-06-02","(3~{R},4~{R})-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-~{N}-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide","2017-06-07"],["R4V","(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide","C18 H20 F3 N7 O","n1c(ncc(c1N3CC2C(C2C)(C3)NC(C4C(F)(C4)F)=O)F)Nc5cn(nc5)C;C[CH]1[CH]2CN(C[C]12NC(=O)[CH]3CC3(F)F)c4nc(Nc5cnn(C)c5)ncc4F;CC1C2C1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)C5CC5(F)F","InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1","","2020-01-30","2020-04-03","(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide","2020-04-08"],["R4W","1-methylsulfonylethane","C3 H8 O2 S","CC[S](C)(=O)=O;CCS(=O)(=O)C","InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3","trans-3,4-dihydroxysulfolane; ethyl methyl sulfone","2020-09-02","2021-06-11","1-methylsulfonylethane","2021-06-16"],["82Q","(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide","C23 H22 N2 O2","CC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc3ccccc23)c4ccccc4;CC(=O)N1CC(CC1C(=O)Nc2cccc3c2cccc3)c4ccccc4","InChI=1S/C23H22N2O2/c1-16(26)25-15-19(17-8-3-2-4-9-17)14-22(25)23(27)24-21-13-7-11-18-10-5-6-12-20(18)21/h2-13,19,22H,14-15H2,1H3,(H,24,27)/t19-,22+/m0/s1","","2021-09-28","2024-09-27","(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide","2022-10-05"],["82R","(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol","C27 H44 O4","C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1","InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1","rockogenin","2017-03-28","2021-03-01","(1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol","2017-06-07"],["R4X","(4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H21 Cl N4 O3 S","O=S(=O)(N1CCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)N5CCC5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)N5CCC5","InChI=1S/C22H21ClN4O3S/c23-17-7-6-16-13-27(31(29,30)26-8-3-9-26)14-20(19(16)10-17)22(28)25-21-12-24-11-15-4-1-2-5-18(15)21/h1-2,4-7,10-12,20H,3,8-9,13-14H2,(H,25,28)/t20-/m1/s1","","2023-08-21","2023-11-03","(4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["R4Y","(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide","C19 H21 F N8 O2","N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C#N)C5)=O;OCCn1cc(Nc2ncc(F)c(n2)N3C[CH]4C[C]4(C3)NC(=O)[CH]5C[CH]5C#N)cn1;c1c(cn(n1)CCO)Nc2ncc(c(n2)N3CC4CC4(C3)NC(=O)C5CC5C#N)F","InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12-,14+,19-/m1/s1","","2020-01-30","2020-04-03","(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide","2020-04-08"],["82S","(1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane","C10 H17 Br","C1(C2(CCC(C1)C2(C)C)C)Br;CC1(C)[CH]2CC[C]1(C)[CH](Br)C2;CC1(C2CCC1(C(C2)Br)C)C","InChI=1S/C10H17Br/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8-,10+/m1/s1","","2016-12-20","2019-12-11","(1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane","2017-04-12"],["82T","[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate","C23 H48 N O7 P","CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O","InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1","","2021-11-16","2022-05-13","[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate","2022-05-18"],["R4Z","6-ethyl-1-oxidanylidene-indene-4-carboxylic acid","C12 H10 O3","CCc1cc(C(O)=O)c2C=CC(=O)c2c1;CCc1cc2c(c(c1)C(=O)O)C=CC2=O","InChI=1S/C12H10O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h3-6H,2H2,1H3,(H,14,15)","","2020-09-02","2021-04-30","6-ethyl-1-oxidanylidene-indene-4-carboxylic acid","2021-05-05"],["R50"," 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form","C22 H25 N3 O","CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1;CC(C)C(=O)n1cc(C)c2c1cncc2c3ccc4CN(C)CCc4c3;Cc1cn(c2c1c(cnc2)c3ccc4c(c3)CCN(C4)C)C(=O)C(C)C","InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3","","2022-06-16","2024-09-27","2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one","2022-10-12"],["82U","3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid","C17 H20 N2 O5 S","O=S(N)(=O)c1cc(cc(NCCCC)c1Oc1ccccc1)C(=O)O;CCCCNc1cc(cc(c1Oc2ccccc2)[S](N)(=O)=O)C(O)=O;CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O","InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)","","2021-09-03","2022-05-20","3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid","2022-05-25"],["R51","5-O-phosphono-D-ribose","C5 H11 O8 P","O=P(O)(O)OCC(O)C(O)C(O)C=O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)OP(=O)(O)O","InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H","","2008-06-11","2008-10-14","5-O-phosphono-D-ribose",""],["82V","3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one","C19 H17 N O5 S","C1COCCN1C2=CC(c3c(O2)c(cs3)c5ccc4OCCOc4c5)=O;O=C1C=C(Oc2c1scc2c3ccc4OCCOc4c3)N5CCOCC5;c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2","InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2","","2016-12-20","2017-02-03","3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one","2017-02-08"],["R52","5-O-phosphono-D-ribose","C5 H11 O8 P","O=P(O)(O)OCC(O)C(O)C(O)C=O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1","","2008-06-10","2025-12-15","5-O-phosphono-D-ribose",""],["82W","[(1~{S},3~{R},4~{R},5~{R},6~{R},7~{S},8~{R},11~{S},13~{S},16~{S},17~{R},18~{E})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{R})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{H}-pyrrole-2-carboxylate","C28 H37 N O8","CO[CH]1C[CH]2C=C[CH]3[CH]4O[C]2([CH]3[CH](O)[CH](C)[CH]4OC(=O)c5[nH]ccc5)C(=C[CH](C)[CH](OC1=O)[CH](C)O)C;CC1C=C(C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)c5ccc[nH]5)C)O)C","InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1","","2021-09-29","2022-08-22","[(1~{S},3~{R},4~{R},5~{R},6~{R},7~{S},8~{R},11~{S},13~{S},16~{S},17~{R},18~{E})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{R})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{H}-pyrrole-2-carboxylate","2022-02-23"],["R53","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid","C18 H16 Cl2 N4 O4 S","Cc1[nH]c(C(=O)Nc2sc3cc(cc(N4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)N4CCOCC4)Cl)Cl","InChI=1S/C18H16Cl2N4O4S/c1-8-12(19)13(20)15(21-8)16(25)23-18-22-14-10(24-2-4-28-5-3-24)6-9(17(26)27)7-11(14)29-18/h6-7,21H,2-5H2,1H3,(H,26,27)(H,22,23,25)","","2022-11-23","2023-05-15","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid","2023-03-29"],["82X","3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid","C28 H21 Cl2 N O4 S","Clc1cccc(Cl)c1c2noc(c2COc5ccc3c(sc(c3)c4cccc(C(=O)O)c4)c5)C(C)C;CC(C)c1onc(c1COc2ccc3cc(sc3c2)c4cccc(c4)C(O)=O)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O","InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)","","2009-05-06","2011-06-04","3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid",""],["82Y","N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide","C18 H16 N2 O5 S","c1cc(ccc1C(NO)=O)c2c3c(sc2)C(C=C(O3)N4CCOCC4)=O;ONC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4;c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO","InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)","","2016-12-20","2017-02-03","N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide","2017-02-08"],["R54","(5R,6S)-5-(4-{2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol","C29 H33 N O2","CC1CCCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5;C[CH]1CCCN1CCOc2ccc(cc2)[CH]3[CH](CCc4cc(O)ccc34)c5ccccc5;CC1CCCN1CCOc2ccc(cc2)C3c4ccc(cc4CCC3c5ccccc5)O","InChI=1S/C29H33NO2/c1-21-6-5-17-30(21)18-19-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-20-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,20-21,27,29,31H,5-6,11,15,17-19H2,1H3/t21-,27+,29-/m0/s1","","2020-01-30","2020-02-07","(5R,6S)-5-(4-{2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol","2020-02-12"],["R55","N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE","C33 H39 N5 O4","O=C(c1ccncc1)NC5CNCCCC5NC(=O)c2ccc(cc2)C(=O)c3cc(ccc3O)N4CCC(CC4)(C)C;CC1(C)CCN(CC1)c2ccc(O)c(c2)C(=O)c3ccc(cc3)C(=O)N[CH]4CCCNC[CH]4NC(=O)c5ccncc5;CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)NC4CCCNCC4NC(=O)c5ccncc5)O)C","InChI=1S/C33H39N5O4/c1-33(2)13-18-38(19-14-33)25-9-10-29(39)26(20-25)30(40)22-5-7-23(8-6-22)31(41)36-27-4-3-15-35-21-28(27)37-32(42)24-11-16-34-17-12-24/h5-12,16-17,20,27-28,35,39H,3-4,13-15,18-19,21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1","","2004-10-05","2011-06-04","N-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]pyridine-4-carboxamide",""],["82Z","[(5S,6E,8S,9S,12R,13E,15E)-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl] carbamate","C27 H35 Cl N2 O7","CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)OC(N)=O)C)c(Cl)c(OC)c2;CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1OC(=O)N)OC)C)O)C","InChI=1S/C27H35ClN2O7/c1-15-7-6-8-22(35-4)21(32)13-23(37-27(29)34)17(3)10-16(2)20(31)14-25(33)30-19-11-18(9-15)12-24(36-5)26(19)28/h6-8,10-12,17,20,22-23,31H,9,13-14H2,1-5H3,(H2,29,34)(H,30,33)/b8-6?,15-7+,16-10+/t17-,20-,22+,23-/m0/s1","","2021-11-18","2022-11-11","[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl] carbamate","2022-11-16"],["R56","5-OXO-6-PHENYLMETHANESULFONYLAMINO-HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID (3-GUANIDINO-PROPYL)-AMIDE","C19 H28 N6 O4 S2","O=S(=O)(NC2C(=O)N1C(SCC1C(=O)NCCCNC(=[N@H])N)CC2)Cc3ccccc3;NC(=N)NCCCNC(=O)[CH]1CS[CH]2CC[CH](N[S](=O)(=O)Cc3ccccc3)C(=O)N12;c1ccc(cc1)CS(=O)(=O)NC2CCC3N(C2=O)C(CS3)C(=O)NCCCNC(=N)N","InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15+,16+/m1/s1","","1999-07-08","2011-06-04","(3R,6R,8aS)-6-[(benzylsulfonyl)amino]-N-(3-carbamimidamidopropyl)-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide",""],["830","dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate","C17 H18 K2 N O5 P","[K]OP(=O)(O[K])CC(=O)NCCCc2cc(Oc1ccccc1)ccc2;[K]O[P](=O)(CC(=O)NCCCc1cccc(Oc2ccccc2)c1)O[K];c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K]","InChI=1S/C17H20NO5P.2K/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15;;/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2","","2009-01-15","2011-06-04","dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate",""],["R57","3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","C18 H13 F4 N3 O3","FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(OC)c(F)c3;COc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1F;COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O","InChI=1S/C18H13F4N3O3/c1-28-14-5-2-9(6-11(14)19)8-23-16-15(17(26)27)24-12-4-3-10(18(20,21)22)7-13(12)25-16/h2-7H,8H2,1H3,(H,23,25)(H,26,27)","","2014-04-04","2014-12-05","3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","2014-12-10"],["831","N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide","C29 H24 F3 N5 O","FC(F)(F)c1cccc(c1)C(=O)Nc5cccc(c2ccnc3c(cnn23)c4ccc(cc4)CN(C)C)c5;CN(C)Cc1ccc(cc1)c2cnn3c(ccnc23)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4;CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)","","2009-08-04","2011-06-04","N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide",""],["R58","3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","C19 H16 F3 N3 O3","FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(OCC)cc3;CCOc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1;CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O","InChI=1S/C19H16F3N3O3/c1-2-28-13-6-3-11(4-7-13)10-23-17-16(18(26)27)24-14-8-5-12(19(20,21)22)9-15(14)25-17/h3-9H,2,10H2,1H3,(H,23,25)(H,26,27)","","2014-04-04","2014-12-05","3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","2014-12-10"],["833","3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine","C11 H11 N3 O2","O1c2ccc(cc2OC1)c3nn(c(N)c3)C;Cn1nc(cc1N)c2ccc3OCOc3c2;Cn1c(cc(n1)c2ccc3c(c2)OCO3)N","InChI=1S/C11H11N3O2/c1-14-11(12)5-8(13-14)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6,12H2,1H3","","2010-09-29","2011-06-04","3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine",""],["R59","(2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid","C15 H18 N2 O3 S","C[CH](CS)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(O)=O;CC(CS)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C15H18N2O3S/c1-9(8-21)14(18)17-13(15(19)20)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,9,13,16,21H,6,8H2,1H3,(H,17,18)(H,19,20)/t9-,13+/m1/s1","","2017-02-12","2017-05-12","(2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid","2017-05-17"],["834","N-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide","C23 H24 Cl N3 O3","Clc1ccccc1c2nc(c(n2NC(=O)c4ccc3OCCOc3c4C)C(C)C)C;CC(C)c1n(NC(=O)c2ccc3OCCOc3c2C)c(nc1C)c4ccccc4Cl;Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C","InChI=1S/C23H24ClN3O3/c1-13(2)20-15(4)25-22(17-7-5-6-8-18(17)24)27(20)26-23(28)16-9-10-19-21(14(16)3)30-12-11-29-19/h5-10,13H,11-12H2,1-4H3,(H,26,28)","N-(2-(2-chlorophenyl)-5-isopropyl-4-methyl-1H-imidazol-1-yl)-5-methyl-2,3-dihyrobenzo[b][1,4]dioxine-6-carboxamide","2009-09-18","2021-03-13","N-[2-(2-chlorophenyl)-4-methyl-5-(propan-2-yl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide",""],["835","(3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione","C14 H14 N4 O3","CC1=Nc2cccc(N)c2C(=O)N1[CH]3CCC(=O)NC3=O;CC1=Nc2cccc(c2C(=O)N1C3CCC(=O)NC3=O)N","InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)/t10-/m0/s1","(3S)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione","2021-09-29","2022-08-22","(3~{S})-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione","2022-03-16"],["R5A","RUTHENIUM WIRE, 5 CARBON LINKER","C45 H61 N7 O Ru","O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10;CN(C)c1cccc(OCCCCCC2=C3C=CC4=CC=CN5C4=C3N(C=C2)[Ru]567(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2","InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h6-7,9-16,18H,3-5,8,17H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6/t;;9-,10?;/m..0./s1","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM","2006-02-21","2021-03-13","[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["R5B","RUTHENIUM WIRE WC5","C45 H61 N7 O Ru","O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10;CN(C)c1cccc(OCCCCCC2=C3C=CC4=CC=CN5C4=C3N(C=C2)[Ru]567(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2","InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h6-7,9-16,18H,3-5,8,17H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM","2006-02-21","2024-11-13","[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["836","N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide","C26 H24 F3 N7 O3","Cn1nccc1c2nnc(N3CCC(CC3)N(C)C(=O)c4ccc(cc4C(F)(F)F)[N+]([O-])=O)c5ccccc25;Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-]","InChI=1S/C26H24F3N7O3/c1-33(25(37)20-8-7-17(36(38)39)15-21(20)26(27,28)29)16-10-13-35(14-11-16)24-19-6-4-3-5-18(19)23(31-32-24)22-9-12-30-34(22)2/h3-9,12,15-16H,10-11,13-14H2,1-2H3","","2017-03-29","2017-05-19","~{N}-methyl-~{N}-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide","2017-05-24"],["R5C","(4-nitrophenyl) butanoate","C10 H11 N O4","CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O;CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3","","2023-03-31","2024-12-20","(4-nitrophenyl) butanoate","2024-12-25"],["837","ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate","C20 H19 N O5 S","c1cc(C(OCC)=O)ccc1c2csc4c2OC(N3CCOCC3)=CC4=O;CCOC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4;CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4","InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3","","2016-12-20","2017-02-03","ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate","2017-02-08"],["838","18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone","C30 H44 N4 O6","N21C(C(NC(C(NC(=O)C(C)C(CCC=Cc3cc(C(OC(C(N1)CCC2)=O)C)ccc3)OC)C(C)C)=O)C)=O;CO[CH]1CCC=Cc2cccc(c2)[CH](C)OC(=O)[CH]3CCC[N](N3)C(=O)[CH](C)NC(=O)[CH](NC(=O)[CH]1C)C(C)C;CC1c2cccc(c2)C=CCCC(C(C(=O)NC(C(=O)NC(C(=O)N3CCCC(N3)C(=O)O1)C)C(C)C)C)OC","InChI=1S/C30H44N4O6/c1-18(2)26-28(36)31-20(4)29(37)34-16-10-14-24(33-34)30(38)40-21(5)23-13-9-12-22(17-23)11-7-8-15-25(39-6)19(3)27(35)32-26/h7,9,11-13,17-21,24-26,33H,8,10,14-16H2,1-6H3,(H,31,36)(H,32,35)/b11-7+/t19-,20+,21-,24+,25-,26+/m1/s1","","2016-09-12","2017-01-20","(2~{R},5~{S},11~{S},14~{S},17~{R},18~{R},21~{E})-18-methoxy-2,11,17-trimethyl-14-propan-2-yl-3-oxa-9,12,15,28-tetrazatricyclo[21.3.1.1^{5,9}]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetrone","2017-01-25"],["R5D","(1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide","C19 H21 F N8 O2","N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C5)C#N)=O;OCCn1cc(Nc2ncc(F)c(n2)N3C[CH]4C[C]4(C3)NC(=O)[CH]5C[CH]5C#N)cn1;c1c(cn(n1)CCO)Nc2ncc(c(n2)N3CC4CC4(C3)NC(=O)C5CC5C#N)F","InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12+,14+,19+/m0/s1","","2020-01-30","2020-04-03","(1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide","2020-04-08"],["839","3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID","C23 H16 N2 O5","O=C5c4c2c1cc(O)ccc1n(c2cc(c3ccccc3)c4C(=O)N5)CCC(=O)O;OC(=O)CCn1c2ccc(O)cc2c3c1cc(c4ccccc4)c5C(=O)NC(=O)c35;c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O","InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30)","","2006-10-09","2011-06-04","3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid",""],["R5F","Rotigotine","C19 H25 N O S","CCCN(CCc1sccc1)[CH]2CCc3c(O)cccc3C2;CCCN(CCc1cccs1)C2CCc3c(cccc3O)C2","InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1","(6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol","2023-03-31","2023-11-01","(6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol","2023-06-07"],["R5G","N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide","C17 H15 N3 O4","c2cc1c(cc(C(=O)NO)cc1)n2Cc3ccc(C(NO)=O)cc3;ONC(=O)c1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1;c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO","InChI=1S/C17H15N3O4/c21-16(18-23)13-3-1-11(2-4-13)10-20-8-7-12-5-6-14(9-15(12)20)17(22)19-24/h1-9,23-24H,10H2,(H,18,21)(H,19,22)","","2020-01-30","2020-05-08","N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide","2020-05-13"],["83A","N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid","C20 H22 N6 O6","c31c(N=C(NC1=O)N)nc(CCNc2ccc(C(=O)NC(C(=O)O)CCC(O)=O)cc2)c3;NC1=Nc2[nH]c(CCNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N","InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1","antifolate AGF183","2016-03-28","2020-06-17","N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid","2016-08-10"],["83B","[(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate","C10 H22 O7 P2","C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)C;CC(CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C10H22O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,10H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1","","2021-11-19","2022-03-18","[(3~{S})-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate","2022-03-23"],["R5H","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(3-methoxyazetidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H23 Cl N4 O4 S","COC1CN(C1)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;COC1CN(C1)[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2;COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C23H23ClN4O4S/c1-32-18-12-28(13-18)33(30,31)27-11-16-6-7-17(24)8-20(16)21(14-27)23(29)26-22-10-25-9-15-4-2-3-5-19(15)22/h2-10,18,21H,11-14H2,1H3,(H,26,29)/t21-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(3-methoxyazetidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["R5I","inosine diphosphate ribose","C15 H22 N4 O15 P2","O[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC=Nc34)[CH](O)[CH]1O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N=CNC2=O","InChI=1S/C15H22N4O15P2/c20-8-5(32-14(10(8)22)19-4-18-7-12(19)16-3-17-13(7)24)1-30-35(26,27)34-36(28,29)31-2-6-9(21)11(23)15(25)33-6/h3-6,8-11,14-15,20-23,25H,1-2H2,(H,26,27)(H,28,29)(H,16,17,24)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2018-09-18","2018-11-23","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2018-11-28"],["83D","5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol","C14 H11 F O3","c1c(cc(cc1O)/C=C(/c2ccc(cc2)O)F)O;Oc1ccc(cc1)C(F)=Cc2cc(O)cc(O)c2;c1cc(ccc1C(=Cc2cc(cc(c2)O)O)F)O","InChI=1S/C14H11FO3/c15-14(10-1-3-11(16)4-2-10)7-9-5-12(17)8-13(18)6-9/h1-8,16-18H/b14-7-","","2016-12-20","2017-05-26","5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol","2017-05-31"],["83E","N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide","C49 H67 N5 O6","O=C(CCC(CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C)N1C(=O)C=C(OC)C1Cc1ccc(cc1)c1ccccc1;COC1=CC(=O)N([CH]1Cc2ccc(cc2)c3ccccc3)C(=O)CC[CH](CCc4ccccc4)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)[CH](C(C)C)N(C)C;CC(C)CC(C(=O)NC(CCc1ccccc1)CCC(=O)N2C(C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C","InChI=1S/C49H67N5O6/c1-32(2)28-40(51-48(58)41(29-33(3)4)52-49(59)46(34(5)6)53(7)8)47(57)50-39(25-22-35-16-12-10-13-17-35)26-27-44(55)54-42(43(60-9)31-45(54)56)30-36-20-23-38(24-21-36)37-18-14-11-15-19-37/h10-21,23-24,31-34,39-42,46H,22,25-30H2,1-9H3,(H,50,57)(H,51,58)(H,52,59)/t39-,40-,41-,42-,46-/m0/s1","","2021-09-03","2024-09-27","N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide","2022-03-02"],["R5K","N~1~-{(3R)-1-[2-(5-carbamimidamidopentanamido)ethyl]-1-azaspiro[5.5]undecan-3-yl}-N~2~-(4-chlorophenyl)ethanediamide","C26 H40 Cl N7 O3","Clc1ccc(cc1)NC(=O)C(=O)NC1CCC2(CCCCC2)N(C1)CCNC(=O)CCCCNC(=N)N;NC(=N)NCCCCC(=O)NCCN1C[CH](CCC12CCCCC2)NC(=O)C(=O)Nc3ccc(Cl)cc3;c1cc(ccc1NC(=O)C(=O)NC2CCC3(CCCCC3)N(C2)CCNC(=O)CCCCNC(=N)N)Cl","InChI=1S/C26H40ClN7O3/c27-19-7-9-20(10-8-19)32-23(36)24(37)33-21-11-14-26(12-3-1-4-13-26)34(18-21)17-16-30-22(35)6-2-5-15-31-25(28)29/h7-10,21H,1-6,11-18H2,(H,30,35)(H,32,36)(H,33,37)(H4,28,29,31)/t21-/m1/s1","","2022-06-20","2023-01-06","N~1~-{(3R)-1-[2-(5-carbamimidamidopentanamido)ethyl]-1-azaspiro[5.5]undecan-3-yl}-N~2~-(4-chlorophenyl)ethanediamide","2023-01-11"],["R5N","Ni-substituted Keggin silicotungstate","Ni O39 Si W11","O.O.O.O.O.O.O.O.O.O.O.O1[Si]23[O]45[W]678O[Ni]9%10O[W]%11%12O[W]1%13(O9)O[W]%14%15%16O[W]%17(O%10)(O6)O[W]%18(O%14)(O[W]4%19(O7)O[W]5(O%11)(O8)O[W]%20%21(O%12)O[W]%22(O%13)(O%15)O[W](O%20)(O%19)(O%18)[O]2%21%22)[O]3%16%17;[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/Ni.O4Si.11H2O.24O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;11*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;11*+1/p-11","","2020-09-02","2021-10-01","","2021-10-06"],["83F","tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate","C23 H40 N4 O6","CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N1C[CH](C)C[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O;CC1CC(N(C1)C(=O)C(C(C)C)NC(=O)OC(C)(C)C)C(=O)NC(CC2CCNC2=O)CO","InChI=1S/C23H40N4O6/c1-13(2)18(26-22(32)33-23(4,5)6)21(31)27-11-14(3)9-17(27)20(30)25-16(12-28)10-15-7-8-24-19(15)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1","tert-butyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate","2021-09-30","2024-09-27","~{tert}-butyl ~{N}-[(2~{S})-3-methyl-1-[(2~{S},4~{S})-4-methyl-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate","2023-05-03"],["83G","1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione","C22 H22 N4 O4","C(N1CCN(CC1C)C(=O)c2ccccc2)(C(c3cnc4c3c(ccn4)OC)=O)=O;COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[CH]3C)C(=O)c4ccccc4)c12;CC1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4","InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1","","2016-12-21","2017-08-25","1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione","2017-08-30"],["R5O","(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C21 H20 Cl N3 O5 S","CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC;CO[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccc(N[S](C)(=O)=O)cc34;COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)NS(=O)(=O)C","InChI=1S/C21H20ClN3O5S/c1-29-21(7-8-30-19-6-4-14(22)9-17(19)21)20(26)24-18-12-23-11-13-3-5-15(10-16(13)18)25-31(2,27)28/h3-6,9-12,25H,7-8H2,1-2H3,(H,24,26)/t21-/m0/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["83H","8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one","C21 H24 N4 O","O=C3N(c2cc1c5c(nc1cc2C3(C)C)c4nnc(c4CCC5)C)CC;CCN1C(=O)C(C)(C)c2cc3[nH]c4c(CCCc5c(C)n[nH]c45)c3cc12;CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C","InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24)","8-Ethyl-2,5,6,12-tetrahydro-3,10,10-trimethyl-9-oxo-pyrazolo[4'3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indole","2008-04-02","2020-06-17","8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one",""],["R5P","RIBOSE-5-PHOSPHATE","C5 H11 O8 P","O=P(OCC(O)C(O)C(O)C=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1","","2001-06-19","2024-09-27","5-O-phosphono-D-ribose",""],["83I","ethyl 4-chloranyl-3-oxidanylidene-butanoate","C6 H9 Cl O3","CCOC(=O)CC(=O)CCl;CCOC(=O)CC(=O)CCl","InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3","","2021-11-19","2022-04-01","ethyl 4-chloranyl-3-oxidanylidene-butanoate","2022-04-06"],["R5Q","Co-substituted Keggin silicotungstate","Co O39 Si W11","O.O.O.O.O.O.O.O.O.O.O.O1[Si]23[O]45[W]678O[Co]9%10O[W]%11%12O[W]1%13(O9)O[W]%14%15%16O[W]%17(O%10)(O6)O[W]%18(O%14)(O[W]4%19(O7)O[W]5(O%11)(O8)O[W]%20%21(O%12)O[W]%22(O%13)(O%15)O[W](O%20)(O%19)(O%18)[O]2%21%22)[O]3%16%17;[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/Co.O4Si.11H2O.24O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;11*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;11*+1/p-11","","2020-09-02","2021-10-01","","2021-10-06"],["83J","1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione","C24 H23 N7 O4","C1CN(CCN1C(c2ccccc2)=O)C(=O)C(c5c4c(c(n3cnc(C)n3)ncc4OC)nc5)=O;COc1cnc(n2cnc(C)n2)c3[nH]cc(C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c13;Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC","InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3","","2016-12-21","2017-08-25","1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione","2017-08-30"],["R5R","Zolpidem","C19 H21 N3 O","CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1;CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3;Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C","InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","","2022-06-20","2022-08-12","N,N-dimethyl-2-[(4S)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide","2022-08-17"],["83K","N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide","C45 H64 N6 O6","O=C(CCC(CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C)N1C(=O)C=C(OC)C1Cc1c[NH]c2ccccc12;COC1=CC(=O)N([CH]1Cc2c[nH]c3ccccc23)C(=O)CC[CH](CCc4ccccc4)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)[CH](C(C)C)N(C)C;CC(C)CC(C(=O)NC(CCc1ccccc1)CCC(=O)N2C(C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C","InChI=1S/C45H64N6O6/c1-28(2)23-36(48-44(55)37(24-29(3)4)49-45(56)42(30(5)6)50(7)8)43(54)47-33(20-19-31-15-11-10-12-16-31)21-22-40(52)51-38(39(57-9)26-41(51)53)25-32-27-46-35-18-14-13-17-34(32)35/h10-18,26-30,33,36-38,42,46H,19-25H2,1-9H3,(H,47,54)(H,48,55)(H,49,56)/t33-,36-,37-,38-,42-/m0/s1","","2021-09-03","2024-09-27","N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide","2022-03-02"],["R5S","3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","C23 H26 N8","N(c2ccc(C1CCNCC1)cc2)c5nc3NCCc3c(c4cnn(CCC#N)c4)n5;N#CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C4CCNCC4)nc5NCCc25;c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N","InChI=1S/C23H26N8/c24-9-1-13-31-15-18(14-27-31)21-20-8-12-26-22(20)30-23(29-21)28-19-4-2-16(3-5-19)17-6-10-25-11-7-17/h2-5,14-15,17,25H,1,6-8,10-13H2,(H2,26,28,29,30)","","2020-01-30","2021-02-12","3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","2021-02-17"],["83L","10,20-Diphenyl-5,15-diaza-porphyrin containing FE","C30 H18 Fe N6","[Fe]1[N]2C3=NC4=NC(=C(c5ccccc5)c6ccc(N=C7C=CC(=N7)C(=C2C=C3)c8ccccc8)n16)C=C4;c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1","InChI=1S/C30H18N6.Fe/c1-3-7-19(8-4-1)29-21-11-15-25(31-21)35-27-17-13-23(33-27)30(20-9-5-2-6-10-20)24-14-18-28(34-24)36-26-16-12-22(29)32-26;/h1-18H;/q-2;+2","","2017-03-31","2017-12-01","","2017-12-06"],["R5T","tert-butyl {(1S)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}carbamate","C16 H20 N4 O4","O=C(OC(C)(C)C)NC(c1ccc(cc1)n2nccc2)C(=O)NO;CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)n2cccn2;CC(C)(C)OC(=O)NC(c1ccc(cc1)n2cccn2)C(=O)NO","InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)/t13-/m0/s1","","2014-09-05","2014-10-24","tert-butyl {(1S)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}carbamate","2014-10-29"],["83M","N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine","C34 H54 N6 O7","C(CCCCCCCC(NC(C(=O)O)CCC(=O)NC(Cc1ccc(O)cc1)C=2NC(C(NCC(N)=O)=O)CCN=2)=O)CCCCC;CCCCCCCCCCCCCC(=O)N[CH](CCC(=O)N[CH](Cc1ccc(O)cc1)C2=NCC[CH](N2)C(=O)NCC(N)=O)C(O)=O;CCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(Cc1ccc(cc1)O)C2=NCCC(N2)C(=O)NCC(=O)N)C(=O)O","InChI=1S/C34H54N6O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-30(43)38-27(34(46)47)18-19-31(44)39-28(22-24-14-16-25(41)17-15-24)32-36-21-20-26(40-32)33(45)37-23-29(35)42/h14-17,26-28,41H,2-13,18-23H2,1H3,(H2,35,42)(H,36,40)(H,37,45)(H,38,43)(H,39,44)(H,46,47)/t26-,27-,28+/m0/s1","","2016-12-21","2017-02-24","N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine","2017-03-01"],["R5V","N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide","C16 H20 N4 O3","O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)C(C)(C)C;CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)n2cccn2;CC(C)(C)C(=O)NC(c1ccc(cc1)n2cccn2)C(=O)NO","InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)/t13-/m1/s1","","2014-09-05","2014-10-24","N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide","2014-10-29"],["83N","tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","C23 H40 N4 O7","CO[CH]1C[CH](N(C1)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)C(C(=O)N1CC(CC1C(=O)NC(CC2CCNC2=O)CO)OC)NC(=O)OC(C)(C)C","InChI=1S/C23H40N4O7/c1-13(2)18(26-22(32)34-23(3,4)5)21(31)27-11-16(33-6)10-17(27)20(30)25-15(12-28)9-14-7-8-24-19(14)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1","tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","2021-09-30","2024-09-27","~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{S})-4-methoxy-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","2023-05-03"],["R5W","3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide","C15 H18 N6 O","Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3;Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C","InChI=1S/C15H18N6O/c1-3-4-8-15(19-20-15)9-7-13(22)16-12-6-5-10-21-11(2)17-18-14(12)21/h1,5-6,10,19-20H,4,7-9H2,2H3,(H,16,22)","3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide","2020-09-02","2021-03-13","3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide","2020-10-21"],["83O","(2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid","C5 H8 N4 O2","N[CH](Cc1[nH]cnn1)C(O)=O;c1[nH]c(nn1)CC(C(=O)O)N","InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m0/s1","","2017-03-31","2018-03-29","(2~{S})-2-azanyl-3-(4~{H}-1,2,4-triazol-3-yl)propanoic acid","2018-04-04"],["R5X","3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide","C18 H17 N5 O3","O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)c3cccc(N)c3;Nc1cccc(c1)C(=O)N[CH](C(=O)NO)c2ccc(cc2)n3cccn3;c1cc(cc(c1)N)C(=O)NC(c2ccc(cc2)n3cccn3)C(=O)NO","InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)/t16-/m1/s1","","2014-09-12","2014-10-24","3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide","2014-10-29"],["83P","(R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide","C27 H24 N6 O3","CNC(=O)C3Cc2c1c(cccc1)nc2CN3C(=O)c4occc4CNc5cc6c(cc5)nccn6;CNC(=O)[CH]1Cc2c(CN1C(=O)c3occc3CNc4ccc5nccnc5c4)[nH]c6ccccc26;CNC(=O)C1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6","InChI=1S/C27H24N6O3/c1-28-26(34)24-13-19-18-4-2-3-5-20(18)32-23(19)15-33(24)27(35)25-16(8-11-36-25)14-31-17-6-7-21-22(12-17)30-10-9-29-21/h2-12,24,31-32H,13-15H2,1H3,(H,28,34)/t24-/m1/s1","(3R)-N-methyl-2-(3-{[(quinoxalin-6-yl)amino]methyl}furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxamide","2016-12-22","2021-03-13","(3R)-N-methyl-2-(3-{[(quinoxalin-6-yl)amino]methyl}furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxamide","2017-01-18"],["R5Y","4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine","C24 H27 N7","c2c(ccc(C1CCNCC1)c2)Nc5nc(c3cn(CCC=C)nc3)c4ccnc4n5;C=CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C4CCNCC4)nc5[nH]ccc25;C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5","InChI=1S/C24H27N7/c1-2-3-14-31-16-19(15-27-31)22-21-10-13-26-23(21)30-24(29-22)28-20-6-4-17(5-7-20)18-8-11-25-12-9-18/h2,4-7,10,13,15-16,18,25H,1,3,8-9,11-12,14H2,(H2,26,28,29,30)","","2020-01-30","2021-02-12","4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine","2021-02-17"],["83Q","6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine","C17 H21 Cl2 N5 S","CC1(CN)CCN(CC1)c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2;CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN","InChI=1S/C17H21Cl2N5S/c1-17(10-20)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(18)14(12)19/h2-4,9H,5-8,10,20H2,1H3,(H2,21,23)","","2021-11-21","2022-03-18","6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine","2022-03-23"],["R5Z","1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one","C27 H34 N2 O3","COc1ccc(cc1OC=Cc2ccccc2)[CH]3NN(C4CCCCCC4)C(=O)C3(C)C;CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC=Cc4ccccc4)OC)C","InChI=1S/C27H34N2O3/c1-27(2)25(28-29(26(27)30)22-13-9-4-5-10-14-22)21-15-16-23(31-3)24(19-21)32-18-17-20-11-7-6-8-12-20/h6-8,11-12,15-19,22,25,28H,4-5,9-10,13-14H2,1-3H3/b18-17+/t25-/m1/s1","2-cycloheptyl-5-[4-methoxy-3-[(~{E})-2-phenylethenoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one","2020-09-02","2021-10-01","2-cycloheptyl-5-[4-methoxy-3-[(~{E})-2-phenylethenoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one","2021-10-06"],["83R","dibenzothiophene","C12 H8 S","s1c2ccccc2c3ccccc13;c1ccc2c(c1)c3ccccc3s2","InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H","","2017-04-05","2017-08-04","dibenzothiophene","2017-08-09"],["R60","7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide","C11 H10 F N O2","CN(C)C(=O)c1oc2c(F)cccc2c1;CN(C)C(=O)c1cc2cccc(c2o1)F","InChI=1S/C11H10FNO2/c1-13(2)11(14)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,1-2H3","","2023-08-30","2024-10-11","7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide","2024-10-16"],["83S","5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde","C19 H19 N O3","C2c1c(cccc1)CN2C(c3cc(C(C)C)c(C=O)cc3O)=O;CC(C)c1cc(c(O)cc1C=O)C(=O)N2Cc3ccccc3C2;CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2","InChI=1S/C19H19NO3/c1-12(2)16-8-17(18(22)7-15(16)11-21)19(23)20-9-13-5-3-4-6-14(13)10-20/h3-8,11-12,22H,9-10H2,1-2H3","","2016-12-22","2018-01-12","4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)benzaldehyde","2018-01-17"],["R61","2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione","C26 H29 F3 N6 O2 S","c1c(c(cc(c1)Nc4c(C)cnc(Nc3cc(c(C2CCN(C)CC2)c(c3)F)F)n4)N5CCCS5(=O)=O)F;CN1CCC(CC1)c2c(F)cc(Nc3ncc(C)c(Nc4ccc(F)c(c4)N5CCC[S]5(=O)=O)n3)cc2F;Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F","InChI=1S/C26H29F3N6O2S/c1-16-15-30-26(32-19-12-21(28)24(22(29)13-19)17-6-9-34(2)10-7-17)33-25(16)31-18-4-5-20(27)23(14-18)35-8-3-11-38(35,36)37/h4-5,12-15,17H,3,6-11H2,1-2H3,(H2,30,31,32,33)","","2020-01-30","2021-02-12","2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione","2021-02-17"],["83T","propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate","C24 H31 N3 O3","O=C(OC(C)C)NC3c2c(ccc(c1ccc(cc1)CNC)c2)N(C(=O)C)C(C3)C;CNCc1ccc(cc1)c2ccc3N([CH](C)C[CH](NC(=O)OC(C)C)c3c2)C(C)=O;CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C","InChI=1S/C24H31N3O3/c1-15(2)30-24(29)26-22-12-16(3)27(17(4)28)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-25-5/h6-11,13,15-16,22,25H,12,14H2,1-5H3,(H,26,29)/t16-,22+/m0/s1","","2014-01-13","2014-12-19","propan-2-yl [(2S,4R)-1-acetyl-2-methyl-6-{4-[(methylamino)methyl]phenyl}-1,2,3,4-tetrahydroquinolin-4-yl]carbamate","2014-12-24"],["R62","4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid","C21 H22 N2 O2","CC1(C)CCC(C)(C)c2nc(cnc12)C#Cc3ccc(cc3)C(O)=O;CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C","InChI=1S/C21H22N2O2/c1-20(2)11-12-21(3,4)18-17(20)22-13-16(23-18)10-7-14-5-8-15(9-6-14)19(24)25/h5-6,8-9,13H,11-12H2,1-4H3,(H,24,25)","","2020-09-03","2021-02-12","4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid","2021-02-17"],["83U","dibenzothiophene 5-oxide","C12 H8 O S","O=[S]1c2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3S2=O","InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H","","2017-04-06","2017-08-04","dibenzothiophene 5-oxide","2017-08-09"],["R63","methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate","C17 H18 N2 O4","O=C(OC)c1ncc2[NH]c3cc(OC)c(OC)cc3c2c1CC;CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC;CCc1c2c3cc(c(cc3[nH]c2cnc1C(=O)OC)OC)OC","InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","","2022-06-20","2022-08-12","methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate","2022-08-17"],["83V","(4S)-4-amino-6-phenylhexanoic acid","C12 H17 N O2","O=C(O)CCC(N)CCc1ccccc1;N[CH](CCC(O)=O)CCc1ccccc1;c1ccc(cc1)CCC(CCC(=O)O)N","InChI=1S/C12H17NO2/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,15)/t11-/m0/s1","","2021-09-03","2022-02-25","(4S)-4-amino-6-phenylhexanoic acid","2022-03-02"],["R64","(1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE","C23 H24 N4 O3","O=C(c1nccn1C)c4oc3cccc(OCCCNCc2cccnc2)c3c4C;Cn1ccnc1C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C;Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C","InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3","","2002-09-03","2011-06-04","(1-methyl-1H-imidazol-2-yl)(3-methyl-4-{3-[(pyridin-3-ylmethyl)amino]propoxy}-1-benzofuran-2-yl)methanone",""],["83W","tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate","C25 H44 N4 O7","C[CH](OC(C)(C)C)[CH](NC(=O)OC(C)(C)C)C(=O)N1CCC[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C(C(=O)N1CCCC1C(=O)NC(CC2CCNC2=O)CO)NC(=O)OC(C)(C)C)OC(C)(C)C","InChI=1S/C25H44N4O7/c1-15(35-24(2,3)4)19(28-23(34)36-25(5,6)7)22(33)29-12-8-9-18(29)21(32)27-17(14-30)13-16-10-11-26-20(16)31/h15-19,30H,8-14H2,1-7H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16+,17+,18+,19+/m1/s1","tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate","2021-09-30","2024-09-27","~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate","2023-05-03"],["R66","(3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one","C19 H15 Cl N2 O2","Clc1cccc(c1)C1(O)CCN(c2cncc3ccccc23)C1=O;O[C]1(CCN(C1=O)c2cncc3ccccc23)c4cccc(Cl)c4;c1ccc2c(c1)cncc2N3CCC(C3=O)(c4cccc(c4)Cl)O","InChI=1S/C19H15ClN2O2/c20-15-6-3-5-14(10-15)19(24)8-9-22(18(19)23)17-12-21-11-13-4-1-2-7-16(13)17/h1-7,10-12,24H,8-9H2/t19-/m1/s1","","2023-08-21","2023-11-03","(3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one","2023-11-08"],["83X","1-[2,4,6-tris(oxidanyl)phenyl]ethanone","C8 H8 O4","CC(=O)c1c(O)cc(O)cc1O;CC(=O)c1c(cc(cc1O)O)O","InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3","","2017-04-11","2018-04-27","1-[2,4,6-tris(oxidanyl)phenyl]ethanone","2018-05-02"],["R67","3-(methylsulfonyl)-2-oxopropanoic acid","C4 H6 O5 S","CS(CC(=O)C(O)=O)(=O)=O;C[S](=O)(=O)CC(=O)C(O)=O;CS(=O)(=O)CC(=O)C(=O)O","InChI=1S/C4H6O5S/c1-10(8,9)2-3(5)4(6)7/h2H2,1H3,(H,6,7)","","2020-01-31","2020-04-03","3-(methylsulfonyl)-2-oxopropanoic acid","2020-04-08"],["R68","N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE","C33 H38 F N5 O4","O=C(c1ccncc1)NC5CNCCCC5NC(=O)c2ccc(cc2)C(=O)c3c(O)ccc(c3F)C4NCCCC4(C)C;CC1(C)CCCN[CH]1c2ccc(O)c(c2F)C(=O)c3ccc(cc3)C(=O)N[CH]4CCCNC[CH]4NC(=O)c5ccncc5;CC1(CCCNC1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)NC4CCCNCC4NC(=O)c5ccncc5)O)C","InChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30+/m1/s1","","2004-10-05","2011-06-04","N-[(3R,4R)-4-({[4-({3-[(2R)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxyphenyl}carbonyl)phenyl]carbonyl}amino)azepan-3-yl]pyridine-4-carboxamide",""],["83Y","3-O-sulfo-alpha-L-rhamnopyranose","C6 H12 O8 S","C1(OC(C(C(C1O)OS(=O)(=O)O)O)C)O;C[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;CC1C(C(C(C(O1)O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O8S/c1-2-3(7)5(14-15(10,11)12)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4+,5+,6+/m0/s1","6-deoxy-3-O-sulfo-alpha-L-mannopyranose; L-rhamnose-3-sulphate; 3-O-sulfo-alpha-L-rhamnose; 3-O-sulfo-L-rhamnose;\n3-O-sulfo-rhamnose","2017-01-05","2020-07-17","6-deoxy-3-O-sulfo-alpha-L-mannopyranose","2017-03-29"],["83Z","(5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione","C26 H34 Cl N O6","CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](O)CC1=O)C)c(Cl)c(OC)c2;CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1O)OC)C)O)C","InChI=1S/C26H34ClNO6/c1-15-7-6-8-23(33-4)22(31)13-20(29)16(2)10-17(3)21(30)14-25(32)28-19-11-18(9-15)12-24(34-5)26(19)27/h6-8,10-12,16,20-21,23,29-30H,9,13-14H2,1-5H3,(H,28,32)/b8-6?,15-7+,17-10+/t16-,20-,21-,23+/m0/s1","","2021-11-22","2022-11-11","(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione","2022-11-16"],["R69","N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE","C28 H31 N5 O4","O=C(c1cc(N(C)C)ccc1O)c2ccc(cc2)C(=O)NC4CCCNCC4NC(=O)c3ccncc3;CN(C)c1ccc(O)c(c1)C(=O)c2ccc(cc2)C(=O)N[CH]3CCCNC[CH]3NC(=O)c4ccncc4;CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)NC3CCCNCC3NC(=O)c4ccncc4)O","InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1","","2004-10-05","2011-06-04","N-[(3R,4R)-4-{[(4-{[5-(dimethylamino)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]pyridine-4-carboxamide",""],["840","Platensimycin A1","C24 H25 N O8","O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)C=CC43CC26C(OC2(C3O)C)(C45)C6)C;C[C]1(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[CH]3[C]4(C[C]56C[C]35O[C]6(C)[CH]4O)C=CC1=O;CC1(C2C3(CC45C2(C4)OC5(C3O)C)C=CC1=O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O","InChI=1S/C24H25NO8/c1-20(7-6-14(28)25-15-12(26)4-3-11(16(15)29)17(30)31)13(27)5-8-22-9-23-10-24(23,18(20)22)33-21(23,2)19(22)32/h3-5,8,18-19,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t18-,19+,20-,21+,22-,23+,24-/m1/s1","2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-me\nthanocyclopropa[a]naphthalen-7(1H)-yl]propanoyl}amino)benzoic acid","2009-07-10","2020-06-17","2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-methanocyclopropa[a]naphthalen-7(1H)-yl]propanoyl}amino)benzoic acid",""],["R6A","RUTHENIUM WIRE, 6 CARBON LINKER","C46 H63 N7 O Ru","O(c1cccc(N(C)C)c1)CCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10;CN(C)c1cccc(OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N(C=C2)[Ru]567(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2","InChI=1S/C26H29N3O.C10H18N2.C10H16N2.Ru/c1-29(2)22-11-7-12-23(19-22)30-18-6-4-3-5-9-20-15-17-28-26-24(20)14-13-21-10-8-16-27-25(21)26;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-8,10-17,19H,3-6,9,18H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6/t;;9?,10-;/m..1./s1","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[6-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)HEX\nYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM","2006-02-22","2020-06-17","[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[6-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)hexyl]oxy}-N,N-dimethylanilinato(2-)][(6R)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["841","~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide","C16 H24 N4 O","O=C(NCC1CCN(CC1)c2ccccn2)N3CCCC3;c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3","InChI=1S/C16H24N4O/c21-16(20-9-3-4-10-20)18-13-14-6-11-19(12-7-14)15-5-1-2-8-17-15/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)","","2015-11-26","2016-01-29","~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide","2016-02-03"],["R6B","(~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid","C23 H27 N O2","CC(C)N1CCC(C)(C)c2cc(ccc12)c3ccc(C=CC(O)=O)cc3;CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)C=CC(=O)O)(C)C","InChI=1S/C23H27NO2/c1-16(2)24-14-13-23(3,4)20-15-19(10-11-21(20)24)18-8-5-17(6-9-18)7-12-22(25)26/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)/b12-7+","","2020-09-03","2021-02-12","(~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid","2021-02-17"],["842","N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide","C27 H32 F2 N4 O2","Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC4(c2cccc(c2)n3nccc3)CCCCC4;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)CNC2(CCCCC2)c3cccc(c3)n4cccn4;CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CCCCC2)c3cccc(c3)n4cccn4)O","InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1","","2010-06-07","2011-06-04","N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)butan-2-yl]acetamide",""],["R6C","(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL","C19 H25 N5 O2","n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)OCc3ccccc3;CC[CH](CO)Nc1nc(OCc2ccccc2)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C","InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1","O6-(R)-ROSCOVITINE; R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL","2005-01-07","2020-05-27","(2R)-2-{[6-(benzyloxy)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol",""],["843","N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE","C30 H34 N3 O7 P","O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(cc1)OP(=O)(O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1","RU81843","2003-06-20","2021-03-01","Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-O-phosphono-L-tyrosinamide",""],["R6D","6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine","C23 H25 N9 O","c1(nc(c2nccn2c1)Nc5ccc(N3CCN(CC3)C4COC4)cc5)c6cncc(n6)N;Nc1cncc(n1)c2cn3ccnc3c(Nc4ccc(cc4)N5CCN(CC5)C6COC6)n2;c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6","InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)","GS-9876","2020-02-03","2021-03-01","6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine","2020-03-11"],["844","1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine","C24 H27 N3 O3","O(c1cc(cc(OC)c1OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4)C;COc1cc(cc(OC)c1OC)c2cncc(c2)c3ccc(cc3)N4CCNCC4;COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4","InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3","","2013-03-26","2014-09-05","1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine","2013-04-10"],["R6E","(2~{R})-2-azanyl-2-ethyl-octanoic acid","C10 H21 N O2","CCCCCC[C](N)(CC)C(O)=O;CCCCCCC(CC)(C(=O)O)N","InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1","","2019-05-03","2024-09-27","(2~{R})-2-azanyl-2-ethyl-octanoic acid","2020-03-18"],["845","N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE","C24 H22 F3 N7 O2","C[CH](N)C(=O)NCc1cccc(c1)N2NC(=CC2=C3NN=C(O3)c4cccc5[nH]ccc45)C(F)(F)F;CC(C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N","InChI=1S/C24H22F3N7O2/c1-13(28)21(35)30-12-14-4-2-5-15(10-14)34-19(11-20(33-34)24(25,26)27)23-32-31-22(36-23)17-6-3-7-18-16(17)8-9-29-18/h2-11,13,29,32-33H,12,28H2,1H3,(H,30,35)/b23-19-/t13-/m0/s1","","2010-12-10","2011-06-04","(2S)-2-amino-N-[[3-[5-[5-(1H-indol-4-yl)-3H-1,3,4-oxadiazol-2-ylidene]-3-(trifluoromethyl)-2H-pyrazol-1-yl]phenyl]methyl]propanamide",""],["R6F","methopterin","C20 H21 N7 O6","O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2N=C(N)NC(=O)c2n1;CN(Cc1cnc2N=C(N)NC(=O)c2n1)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(Cc1cnc2c(n1)C(=O)NC(=N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid; 10-methylfolic acid","2022-06-21","2023-11-02","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid","2023-06-21"],["846","[4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]\nMETHYL-2-THIAZOLYLBENZAMIDE","C34 H36 N4 O4 S","O=C(c1cccc(c1)CN4C(=O)N(CC2CC2)C(Cc3ccccc3)C(O)C(O)C4Cc5ccccc5)Nc6nccs6;O[CH]1[CH](O)[CH](Cc2ccccc2)N(Cc3cccc(c3)C(=O)Nc4sccn4)C(=O)N(CC5CC5)[CH]1Cc6ccccc6;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O","InChI=1S/C34H36N4O4S/c39-30-28(19-23-8-3-1-4-9-23)37(21-25-14-15-25)34(42)38(29(31(30)40)20-24-10-5-2-6-11-24)22-26-12-7-13-27(18-26)32(41)36-33-35-16-17-43-33/h1-13,16-18,25,28-31,39-40H,14-15,19-22H2,(H,35,36,41)/t28-,29-,30+,31+/m1/s1","INHIBITOR Q8467 OF DUPONT MERCK","1999-07-08","2020-06-17","3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-1,3-thiazol-2-ylbenzamide",""],["R6G","RHODAMINE 6G","C33 H41 N3 O5","O=C(NCCCCCCO)c4ccc(C=1c3c(OC=2C=1C=C(C)C(NCC)C=2)cc(c(c3)C)NCC)c(C(=O)O)c4;CCN[CH]1C=C2Oc3cc(NCC)c(C)cc3C(=C2C=C1C)c4ccc(cc4C(O)=O)C(=O)NCCCCCCO;CCNc1cc2c(cc1C)C(=C3C=C(C(C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO","InChI=1S/C33H41N3O5/c1-5-34-27-18-29-25(15-20(27)3)31(26-16-21(4)28(35-6-2)19-30(26)41-29)23-12-11-22(17-24(23)33(39)40)32(38)36-13-9-7-8-10-14-37/h11-12,15-19,27,34-35,37H,5-10,13-14H2,1-4H3,(H,36,38)(H,39,40)/t27-/m0/s1","","2007-06-19","2012-01-05","2-[(3S)-3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]-5-[(6-hydroxyhexyl)carbamoyl]benzoic acid",""],["847","2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE","C18 H13 Br N4 O5","[O-]C(=O)CC(C([O-])=O)c3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(cc(Br)c3[O-])[CH](CC([O-])=O)C([O-])=O;c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)C(CC(=O)[O-])C(=O)[O-]","InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,26H,6H2,(H3,20,21)(H,22,23)(H,24,25)(H,27,28)/p-2/t9-/m1/s1","CRA_16847","2003-03-14","2020-06-17","(2R)-2-(3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)butanedioate",""],["R6H","~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide","C30 H26 F2 N4 O5","CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C;CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F","InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)","","2020-09-07","2020-10-23","~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide","2020-10-28"],["848","2-(pyridin-3-ylmethoxy)aniline","C12 H12 N2 O","O(c1ccccc1N)Cc2cccnc2;Nc1ccccc1OCc2cccnc2;c1ccc(c(c1)N)OCc2cccnc2","InChI=1S/C12H12N2O/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10/h1-8H,9,13H2","","2009-01-20","2011-06-04","2-(pyridin-3-ylmethoxy)aniline",""],["R6I","~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide","C20 H26 N4 O5 S","COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O;CC(C)(c1cccc(n1)C(=O)Nc2cc3c(cc2OC)NN(C3)CCS(=O)(=O)C)O","InChI=1S/C20H26N4O5S/c1-20(2,26)18-7-5-6-14(21-18)19(25)22-16-10-13-12-24(8-9-30(4,27)28)23-15(13)11-17(16)29-3/h5-7,10-11,23,26H,8-9,12H2,1-4H3,(H,22,25)","","2022-11-23","2024-01-26","~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide","2024-01-31"],["849","2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE","C23 H28 F N3 O","CNCCN1CCC(CC1)c2ccc3[nH]c(c(F)c3c2)c4ccccc4OC;CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F","InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3","","2010-12-10","2011-06-04","2-[4-[3-fluoro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methyl-ethanamine",""],["R6K","2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide","C34 H41 N7 O2","CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3;Cn1cc(cn1)c2cc(c(nc2)N)C(=O)NC3CCCC3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C","InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1","","2020-09-07","2020-10-30","2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide","2020-11-04"],["84A","p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide","C18 H8 Fe N4 O2 S","O=S(=O)(c1ccc(cc1)n2nncc2C3%11C%13=C%12C5=C34)N;[Fe]|1|2|3|4|5|6|7|8(|[CH]9[C]|1=[C]|2[C]|3=[C]|49)|[C]%10=[C]|5[C]|6([C]|7=[C]|8%10)c%11cnnn%11c%12ccc(cc%12)[S](N)(=O)=O;c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N","InChI=1S/C13H7N4O2S.C5H.Fe/c14-20(18,19)12-7-5-11(6-8-12)17-13(9-15-16-17)10-3-1-2-4-10;1-2-4-5-3-1;/h5-9H,(H2,14,18,19);1H;","","2010-11-01","2011-09-23","[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-5-yl]cyclopentadienyl}iron",""],["R6L","(4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C21 H20 Cl N3 O5 S","CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC;CN[S](=O)(=O)c1ccc2c(NC(=O)[C]3(CCOc4ccc(Cl)cc34)OC)cncc2c1;CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)OC","InChI=1S/C21H20ClN3O5S/c1-23-31(27,28)15-4-5-16-13(9-15)11-24-12-18(16)25-20(26)21(29-2)7-8-30-19-6-3-14(22)10-17(19)21/h3-6,9-12,23H,7-8H2,1-2H3,(H,25,26)/t21-/m0/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["84C","tert-butyl-N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","C25 H42 N4 O6","CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N1C[CH]2CCC[CH]2[CH]1C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)C(C(=O)N1CC2CCCC2C1C(=O)NC(CC3CCNC3=O)CO)NC(=O)OC(C)(C)C","InChI=1S/C25H42N4O6/c1-14(2)19(28-24(34)35-25(3,4)5)23(33)29-12-16-7-6-8-18(16)20(29)22(32)27-17(13-30)11-15-9-10-26-21(15)31/h14-20,30H,6-13H2,1-5H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16-,17-,18-,19-,20-/m0/s1","tert-butyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","2021-09-30","2024-09-27","~{tert}-butyl ~{N}-[(2~{S})-1-[(3~{S},3~{a}~{S},6~{a}~{R})-3-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","2023-05-03"],["R6M","N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide","C27 H34 F2 N6 O2 S","c1(c(ccc(c1)Nc4c(C)cnc(Nc3ccc(C2CCN(C)CC2)c(c3)F)n4)F)NS(C(C)(C)C)(=O)=O;CN1CCC(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(F)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C","InChI=1S/C27H34F2N6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33)","","2020-02-03","2021-02-12","N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide","2021-02-17"],["84D","Dibekacin","C18 H37 N5 O8","C3C(N)C(OC2C(N)CC(C(OC1OC(C(O)C(C1O)N)CO)C2O)N)OC(C3)CN;NC[CH]1CC[CH](N)[CH](O1)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O;C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N","InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1","(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside","2016-12-23","2021-03-13","(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside","2018-04-11"],["R6N","4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol","C28 H40 N6 O","CCCCNc1ncc2c(n1)n(cc2c3ccc(CN4CCN(C)CC4)cc3)[CH]5CC[CH](O)CC5;CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-","","2020-09-07","2020-10-23","4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol","2020-10-28"],["84E","[(2S,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-2-(trifluoromethylsulfanyl)oxolan-2-yl]methyl dihydrogen phosphate","C11 H14 F3 N2 O8 P S","CC1=CN([CH]2C[CH](O)[C](CO[P](O)(O)=O)(O2)SC(F)(F)F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)(COP(=O)(O)O)SC(F)(F)F)O","InChI=1S/C11H14F3N2O8PS/c1-5-3-16(9(19)15-8(5)18)7-2-6(17)10(24-7,26-11(12,13)14)4-23-25(20,21)22/h3,6-7,17H,2,4H2,1H3,(H,15,18,19)(H2,20,21,22)/t6-,7+,10-/m0/s1","","2021-11-24","2022-11-11","[(2~{S},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-2-(trifluoromethylsulfanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-11-16"],["R6O","6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile","C6 H3 Br N2 O2","OC1=C(C#N)NC(Br)=CC1=O;OC1=C(NC(=CC1=O)Br)C#N;C1=C(NC(=C(C1=O)O)C#N)Br","InChI=1S/C6H3BrN2O2/c7-5-1-4(10)6(11)3(2-8)9-5/h1,11H,(H,9,10)","","2022-06-21","2022-12-16","6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile","2022-12-21"],["84F","(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","C20 H23 N O6","COc1ccc(cc1O)[CH]2[CH](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3;CC1C(N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC","InChI=1S/C20H23NO6/c1-11-18(12-6-7-15(24-2)14(22)8-12)21(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-11,18,22H,1-5H3/t11-,18+/m0/s1","","2017-04-13","2017-12-15","(3~{S},4~{R})-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","2017-12-20"],["R6P","(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","C28 H32 N8","c5c(c2c1c(ncc1)nc(n2)Nc4ccc(C3CCNCC3)cc4)cnn5C(CC#N)C6CCCC6;N#CC[CH](C1CCCC1)n2cc(cn2)c3nc(Nc4ccc(cc4)C5CCNCC5)nc6[nH]ccc36;c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)C(CC#N)C6CCCC6","InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m0/s1","","2020-02-03","2021-02-12","(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","2021-02-17"],["84G","Arbekacin","C22 H44 N6 O10","C(CN)C(C(=O)NC3C(OC1OC(C(C(C1O)N)O)CO)C(O)C(OC2OC(CCC2N)CN)C(C3)N)O;NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)CC[CH]2N)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O;C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(CCN)O)N)N","InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1","(2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide","2016-12-23","2021-03-13","(2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide","2018-04-11"],["R6Q","1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one","C21 H21 F3 N2 O2","FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1;c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2","InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)","","2020-09-10","2020-11-27","1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one","2020-12-02"],["84H","(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one","C18 H17 N O2","O=C1C=C(OC)C(Cc2ccc(cc2)c2ccccc2)N1;COC1=CC(=O)N[CH]1Cc2ccc(cc2)c3ccccc3;COC1=CC(=O)NC1Cc2ccc(cc2)c3ccccc3","InChI=1S/C18H17NO2/c1-21-17-12-18(20)19-16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,20)/t16-/m0/s1","","2021-09-03","2022-02-25","(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one","2022-03-02"],["R6R","N-{2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-2H-indazol-5-yl}-3-nitrobenzamide","C27 H24 N6 O5","[O-][N+](=O)c1cccc(c1)C(=O)Nc1cc2cn(nc2cc1)CC(=O)N1CCN(CC1)C(=O)c1ccccc1;[O-][N+](=O)c1cccc(c1)C(=O)Nc2ccc3nn(CC(=O)N4CCN(CC4)C(=O)c5ccccc5)cc3c2;c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)Cn3cc4cc(ccc4n3)NC(=O)c5cccc(c5)[N+](=O)[O-]","InChI=1S/C27H24N6O5/c34-25(30-11-13-31(14-12-30)27(36)19-5-2-1-3-6-19)18-32-17-21-15-22(9-10-24(21)29-32)28-26(35)20-7-4-8-23(16-20)33(37)38/h1-10,15-17H,11-14,18H2,(H,28,35)","","2022-11-23","2026-04-03","N-{2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-2H-indazol-5-yl}-3-nitrobenzamide","2024-01-31"],["R6S","N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine","C29 H37 F N6 O2 S","c5c(Nc3nc(Nc2ccc(C1CCN(CC1)C)c(c2)F)ncc3C)cc4c(CCN4S(C(C)(C)C)(=O)=O)c5;CN1CCC(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc5CCN(c5c4)[S](=O)(=O)C(C)(C)C)n3)cc2F;Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C","InChI=1S/C29H37FN6O2S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34)","","2020-02-03","2021-02-12","N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine","2021-02-17"],["84I","methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate","C16 H16 Cl N O4 S2","COC(=O)c1cc(c(SCCc2ccccc2)cc1Cl)[S](N)(=O)=O;COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N","InChI=1S/C16H16ClNO4S2/c1-22-16(19)12-9-15(24(18,20)21)14(10-13(12)17)23-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20,21)","","2021-10-01","2022-08-22","methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate","2022-01-12"],["84J","[(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid","C17 H17 Br N3 O5 P","C(c1ccc(Br)cc1)(C)NC(c2cccc3c2nc(c(n3)O)O)P(=O)(O)O;C[CH](N[CH](c1cccc2nc(O)c(O)nc12)[P](O)(O)=O)c3ccc(Br)cc3;CC(c1ccc(cc1)Br)NC(c2cccc3c2nc(c(n3)O)O)P(=O)(O)O","InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17+/m0/s1","","2016-12-23","2017-05-12","[(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid","2017-05-17"],["R6T","9-oxo-9H-fluorene-4-carboxamide","C14 H9 N O2","O=C(c2cccc3C(=O)c1ccccc1c23)N;NC(=O)c1cccc2C(=O)c3ccccc3c12;c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O","InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)","","2019-10-25","2020-06-12","9-oxo-9H-fluorene-4-carboxamide","2020-06-17"],["84K","Carfentanil","C24 H30 N2 O3","O=C(OC)C1(CCN(CCc2ccccc2)CC1)N(c1ccccc1)C(=O)CC;CCC(=O)N(c1ccccc1)C2(CCN(CCc3ccccc3)CC2)C(=O)OC;CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC","InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3","methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate","2023-07-12","2023-09-13","methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate","2023-08-16"],["R6U","(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium","C5 H11 N2 O3 Ru","Cn1cc[n+](C)c1[Ru](O)(O)O;Cn1cc[n+](c1[Ru](O)(O)O)C","InChI=1S/C5H8N2.3H2O.Ru/c1-6-3-4-7(2)5-6;;;;/h3-4H,1-2H3;3*1H2;/q+1;;;;+3/p-3","","2023-01-04","2024-01-05","(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium","2024-01-10"],["84M","N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide","C16 H13 N7 O S","c15n(c(nn1)Sc4ccc2n(cc(n2)NC(=O)C3CC3)n4)cccc5;O=C(Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1)C5CC5;c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5","InChI=1S/C16H13N7OS/c24-15(10-4-5-10)18-11-9-23-12(17-11)6-7-14(21-23)25-16-20-19-13-3-1-2-8-22(13)16/h1-3,6-10H,4-5H2,(H,18,24)","","2016-12-24","2017-05-26","N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide","2017-05-31"],["R6V","(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","C28 H32 N8","c5c(c3nc(Nc2ccc(C1CCNCC1)cc2)nc4nccc34)cnn5C(CC#N)C6CCCC6;N#CC[CH](C1CCCC1)n2cc(cn2)c3nc(Nc4ccc(cc4)C5CCNCC5)nc6[nH]ccc36;c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)C(CC#N)C6CCCC6","InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m1/s1","","2020-02-03","2021-02-12","(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","2021-02-17"],["84N","(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one","C14 H14 N2 O2","O=C1C=C(OC)C(Cc2c[NH]c3ccccc23)N1;COC1=CC(=O)N[CH]1Cc2c[nH]c3ccccc23;COC1=CC(=O)NC1Cc2c[nH]c3c2cccc3","InChI=1S/C14H14N2O2/c1-18-13-7-14(17)16-12(13)6-9-8-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,17)/t12-/m0/s1","","2021-09-03","2022-02-25","(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one","2022-03-02"],["R6W","(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one","C40 H40 N6 O4","Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCCCCCCNCc4[nH]c5ccccc5c4[CH]6NC(=O)c7ccc(O)cc67)[nH]c8ccccc38;c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)C5c6cc(ccc6C(=O)N5)O)C7c8cc(ccc8C(=O)N7)O","InChI=1S/C40H40N6O4/c47-23-13-15-25-29(19-23)37(45-39(25)49)35-27-9-3-5-11-31(27)43-33(35)21-41-17-7-1-2-8-18-42-22-34-36(28-10-4-6-12-32(28)44-34)38-30-20-24(48)14-16-26(30)40(50)46-38/h3-6,9-16,19-20,37-38,41-44,47-48H,1-2,7-8,17-18,21-22H2,(H,45,49)(H,46,50)/t37-,38-/m0/s1","","2020-09-10","2020-11-13","(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one","2020-11-18"],["84O","methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate","C14 H18 Cl N O4 S2","COC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O;COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N","InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)11(15)8-12(10)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19)","","2021-10-01","2022-08-22","methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate","2022-01-12"],["R6X","6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C6 H4 Br N O4","OC1=C(NC(Br)=CC1=O)C(=O)O;OC(=O)C1=C(O)C(=O)C=C(Br)N1;C1=C(NC(=C(C1=O)O)C(=O)O)Br","InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)","","2022-06-21","2022-12-16","6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2022-12-21"],["84P","N-(6-{[6-(1-methyl-1H-pyrazol-4-yl)-1H-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide","C21 H19 N9 O","c1c(cn(C)n1)c6cc5n(Cc4ccc2n(cc(n2)NC(=O)C3CC3)n4)nnc5cc6;Cn1cc(cn1)c2ccc3nnn(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)c3c2;Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6","InChI=1S/C21H19N9O/c1-28-10-15(9-22-28)14-4-6-17-18(8-14)29(27-25-17)11-16-5-7-20-23-19(12-30(20)26-16)24-21(31)13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,31)","","2016-12-24","2017-05-26","N-(6-{[6-(1-methyl-1H-pyrazol-4-yl)-1H-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide","2017-05-31"],["R6Z","3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide","C16 H10 F3 N9 O","C(=O)(c1cc(C(F)(F)F)cc(c1)c2nnnn2)Nc3cccc(c3)c4nnnn4;FC(F)(F)c1cc(cc(c1)c2[nH]nnn2)C(=O)Nc3cccc(c3)c4[nH]nnn4;c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4","InChI=1S/C16H10F3N9O/c17-16(18,19)11-5-9(14-23-27-28-24-14)4-10(6-11)15(29)20-12-3-1-2-8(7-12)13-21-25-26-22-13/h1-7H,(H,20,29)(H,21,22,25,26)(H,23,24,27,28)","","2019-04-24","2020-06-26","3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide","2020-07-01"],["84Q","[(2S)-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate","C34 H68 N O8 P","CC(C)CCCCCCCCCCCC(=O)OC[CH](OC(=O)CCCCCCCCCCCC(C)C)O[P](O)(=O)OCCN;CC(C)CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCN","InChI=1S/C34H68NO8P/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(36)40-29-34(43-44(38,39)41-28-27-35)42-33(37)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-31,34H,5-29,35H2,1-4H3,(H,38,39)/t34-/m0/s1","1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine","2021-11-25","2022-12-23","[(2~{S})-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate","2022-12-28"],["R70","3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione","C24 H18 N2 O4","COc1ccccc1C2=C(Nc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC2=O;COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4","InChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)","","2018-10-17","2018-10-26","3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione","2018-10-31"],["84R","3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol","C16 H16 N4 O2 S","Nc1cc(O)cc(c1)c2nc3ccsc3c(n2)N4CCOCC4;c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N","InChI=1S/C16H16N4O2S/c17-11-7-10(8-12(21)9-11)15-18-13-1-6-23-14(13)16(19-15)20-2-4-22-5-3-20/h1,6-9,21H,2-5,17H2","","2017-04-19","2018-04-20","3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol","2018-04-25"],["R71","[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE","C23 H27 Br F N O2","O=C(c1ccc(Br)cc1)c2ccc(OCCCCCCN(CC=C)C)cc2F;CN(CCCCCCOc1ccc(c(F)c1)C(=O)c2ccc(Br)cc2)CC=C;CN(CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C","InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3","Ro 48-8071","2002-01-09","2021-03-01","(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone",""],["R72","4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","C32 H42 N6 O3","CC1(C)CCN(CC1)Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4;CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C","InChI=1S/C32H42N6O3/c1-31(2)12-15-37(16-13-31)20-25-9-10-26(27(39)17-25)30(40)34-21-32(41)11-6-14-38(22-32)29-18-28(35-23-36-29)33-19-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,39,41H,6,11-16,19-22H2,1-2H3,(H,34,40)(H,33,35,36)/t32-/m1/s1","","2020-09-10","2020-10-23","4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2020-10-28"],["84S","N-(6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide","C21 H17 F2 N9 O","c1(cnn(C)c1)c6cn5c(nnc5C(c4ccc2n(cc(n2)NC(=O)C3CC3)n4)(F)F)cc6;Cn1cc(cn1)c2ccc3nnc(n3c2)C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4;Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F","InChI=1S/C21H17F2N9O/c1-30-9-14(8-24-30)13-4-6-18-27-28-20(31(18)10-13)21(22,23)15-5-7-17-25-16(11-32(17)29-15)26-19(33)12-2-3-12/h4-12H,2-3H2,1H3,(H,26,33)","","2016-12-24","2020-02-07","N-(6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide","2020-02-12"],["84T","[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-N-[(2S,3R)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid","C16 H25 N6 O8 P","O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3)C(O)C(O)C(C)C;CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)OC[CH]1C[CH](O)[CH](O1)n2cnc3c(N)ncnc23;CC(C)C(C(C(=O)NP(=O)(O)OCC1CC(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C16H25N6O8P/c1-7(2)11(24)12(25)15(26)21-31(27,28)29-4-8-3-9(23)16(30-8)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,16,23-25H,3-4H2,1-2H3,(H2,17,18,19)(H2,21,26,27,28)/t8-,9-,11+,12-,16+/m0/s1","","2012-12-19","2014-09-05","[(2S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-[(2S,3R)-2,3-dihydroxy-4-methylpentanoyl]phosphoramidate (non-preferred name)","2013-01-25"],["R73","~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","C19 H15 F3 N6 O","Cn1c(C)nc2cc(c3[nH]ncc3)c(NC(=O)c4cccc(n4)C(F)(F)F)cc12;Cc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)c4ccn[nH]4","InChI=1S/C19H15F3N6O/c1-10-24-15-8-11(12-6-7-23-27-12)14(9-16(15)28(10)2)26-18(29)13-4-3-5-17(25-13)19(20,21)22/h3-9H,1-2H3,(H,23,27)(H,26,29)","","2022-11-23","2024-01-26","~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","2024-01-31"],["84U","3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol","C23 H21 F N4 O2 S","Oc1cc(NCc2ccc(F)cc2)cc(c1)c3nc4ccsc4c(n3)N5CCOCC5;c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F","InChI=1S/C23H21FN4O2S/c24-17-3-1-15(2-4-17)14-25-18-11-16(12-19(29)13-18)22-26-20-5-10-31-21(20)23(27-22)28-6-8-30-9-7-28/h1-5,10-13,25,29H,6-9,14H2","","2017-04-19","2018-04-20","3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol","2018-04-25"],["R74","N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide","C18 H19 N3 O4 S","O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3;SC[CH](NC(=O)Cc1ccc2OCOc2c1)C(=O)NCc3ccncc3;c1cc2c(cc1CC(=O)NC(CS)C(=O)NCc3ccncc3)OCO2","InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1","","2020-02-04","2024-09-27","N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide","2020-08-05"],["84W","[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium","C13 H14 N5 O","Cn1cc(cn1)c1ccc2C(=O)NN=C(C[NH3+])c2c1;Cn1cc(cn1)c2ccc3C(=O)NN=C(C[NH3+])c3c2;Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+]","InChI=1S/C13H13N5O/c1-18-7-9(6-15-18)8-2-3-10-11(4-8)12(5-14)16-17-13(10)19/h2-4,6-7H,5,14H2,1H3,(H,17,19)/p+1","","2021-09-04","2022-01-21","[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium","2022-01-26"],["R75","[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone","C17 H12 Br2 O3","CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3;CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br","InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3","Benzbromarone","2020-09-14","2020-10-23","[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone","2020-10-28"],["84X","3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol","C23 H22 N4 O3","Oc1cc(NCc2ccccc2)cc(c1)c3nc4ccoc4c(n3)N5CCOCC5;c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5","InChI=1S/C23H22N4O3/c28-19-13-17(12-18(14-19)24-15-16-4-2-1-3-5-16)22-25-20-6-9-30-21(20)23(26-22)27-7-10-29-11-8-27/h1-6,9,12-14,24,28H,7-8,10-11,15H2","","2017-04-19","2018-04-20","3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol","2018-04-25"],["R76","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H19 Cl N4 O3","CNC(=O)CN1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21;CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1=O;CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C22H19ClN4O3/c1-24-20(28)12-27-11-18(17-8-14(23)6-7-16(17)22(27)30)21(29)26-19-10-25-9-13-4-2-3-5-15(13)19/h2-10,18H,11-12H2,1H3,(H,24,28)(H,26,29)/t18-/m1/s1","","2023-08-21","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["84Z","methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate","C14 H12 Cl N O6 S2","COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O;COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N","InChI=1S/C14H12ClNO6S2/c1-22-14(17)10-7-13(24(16,20)21)11(15)8-12(10)23(18,19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,20,21)","","2021-10-01","2022-08-22","methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate","2022-01-12"],["R77","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid","C15 H24 N O5 P","O=P(O)(O)CC(CC(=O)N(O)C)CCCCc1ccccc1;CN(O)C(=O)C[CH](CCCCc1ccccc1)C[P](O)(O)=O;CN(C(=O)CC(CCCCc1ccccc1)CP(=O)(O)O)O","InChI=1S/C15H24NO5P/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21)/t14-/m1/s1","","2015-02-13","2015-03-27","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid","2015-04-01"],["851","N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-N~2~-methyl-L-alaninamide","C29 H36 N4 O2 S","O=C(NC(C(=O)N4CCCC4c1nc2c(cccc2s1)c3ccccc3)C5CCCCC5)C(NC)C;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2CCC[CH]2c3sc4cccc(c5ccccc5)c4n3;CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2c3nc4c(cccc4s3)c5ccccc5)NC","InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)31-25(21-13-7-4-8-14-21)29(35)33-18-10-16-23(33)28-32-26-22(15-9-17-24(26)36-28)20-11-5-3-6-12-20/h3,5-6,9,11-12,15,17,19,21,23,25,30H,4,7-8,10,13-14,16,18H2,1-2H3,(H,31,34)/t19-,23-,25-/m0/s1","","2009-04-15","2011-06-04","N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-N~2~-methyl-L-alaninamide",""],["R78","4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","C28 H39 N7 O3","O=C5N(c1c(nc(nc1)Nc3ccc(C(=O)NC2CCN(C)CC2)cc3OC)N(C4CCCC4)C5CC)C;CC[CH]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O;CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C","InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1","","2007-12-18","2011-06-04","4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide",""],["852","2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID","C34 H35 N3 O9","O=C(O)C(C(=O)O)c1c(C(=O)O)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1","RU85052","2003-06-20","2021-03-01","{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid",""],["R79","N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE","C23 H27 Br N2 O S","Brc3ccc(c2nsc1cc(OCCCCCCN(CC=C)C)ccc12)cc3;CN(CCCCCCOc1ccc2c(snc2c3ccc(Br)cc3)c1)CC=C;CN(CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C","InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3","","2002-08-25","2011-06-04","6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine",""],["853","5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID","C33 H35 N3 O7","O=C(O)c1cc(ccc1CC(=O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(CC(O)=O)c(c1)C(O)=O)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1","RU85053","2003-06-20","2020-06-17","5-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(carboxymethyl)benzoic acid",""],["R7A","S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate","C10 H17 Br N O3 S2","BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C;CC1(C)N([O])C(C)(C)C(=C1Br)CS[S](C)(=O)=O;CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C","InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3","","2005-07-19","2024-09-27","S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",""],["854","ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate","C15 H21 N O4 S","O=S(=O)(N1C(C(=O)OCC)CCCC1)Cc2ccccc2;CCOC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccccc2;CCOC(=O)C1CCCCN1S(=O)(=O)Cc2ccccc2","InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-/m0/s1","","2012-06-20","2012-07-27","ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate",""],["R7B","8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one","C12 H15 N3 O","O=C1NC=C(C2CCCCC2)c3nccn13;c1cn2c(n1)C(=CNC2=O)C3CCCCC3","InChI=1S/C12H15N3O/c16-12-14-8-10(9-4-2-1-3-5-9)11-13-6-7-15(11)12/h6-9H,1-5H2,(H,14,16)","","2020-09-14","2021-03-19","8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one","2021-03-24"],["855","2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine","C19 H15 N5","n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4;Cc1cccc(n1)c2nc(Nc3ccncc3)c4ccccc4n2;Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4","InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)","","2009-04-06","2011-06-04","2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine",""],["R7C","(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one","C6 H4 Br N5 O2","OC1=C(NC(Br)=CC1=O)c1nnn[NH]1;OC1=C(NC(=CC1=O)Br)c2[nH]nnn2;C1=C(NC(=C(C1=O)O)c2[nH]nnn2)Br","InChI=1S/C6H4BrN5O2/c7-3-1-2(13)5(14)4(8-3)6-9-11-12-10-6/h1,14H,(H,8,13)(H,9,10,11,12)","","2022-06-21","2022-12-16","(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one","2022-12-21"],["856","O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate","C11 H12 O5","COC(=O)c1ccc(cc1)C(=O)OCCO;COC(=O)c1ccc(cc1)C(=O)OCCO","InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3","","2017-04-19","2017-12-15","~{O}4-(2-hydroxyethyl) ~{O}1-methyl benzene-1,4-dicarboxylate","2017-12-20"],["R7D","N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide","C18 H18 F3 N3 O3 S","SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O;O[CH](C(=O)N[CH](CS)C(=O)NCc1ccccn1)c2ccc(cc2)C(F)(F)F;c1ccnc(c1)CNC(=O)C(CS)NC(=O)C(c2ccc(cc2)C(F)(F)F)O","InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1","","2020-02-04","2024-09-27","N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide","2020-08-05"],["857","4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide","C26 H26 Cl N5 O4","O=C(NC)c5nccc(Oc1cc2nc(oc2cc1)Nc4ccc(Cl)c(OCC3N(C)CCC3)c4)c5;CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[CH]5CCCN5C)c4)nc3c2)ccn1;CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl","InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1","","2007-08-09","2011-06-04","4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide",""],["R7E","5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide","C18 H22 N2 O6","C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(CN)c3)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O","InChI=1S/C18H22N2O6/c1-9-14(21)15(22)16(23)18(25-9)20-17(24)13-6-5-12(26-13)11-4-2-3-10(7-11)8-19/h2-7,9,14-16,18,21-23H,8,19H2,1H3,(H,20,24)/t9-,14+,15+,16-,18-/m0/s1","(5-(3'-aminomethyl)phenyl)furan-2-carboxamido-b-L-fucopyranose","2022-11-23","2023-02-03","5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide","2023-02-08"],["858","C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN","C53 H78 N2 O12","O=C5C(=O)N1CCCCC1C(=O)OC(C(=C/C4CCC(Oc3cc2ccn(c2cc3)CC)C(OC)C4)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C6OC5(O)C(C)CC6OC)C)C)CC;CC[CH]1C=C(C)C[CH](C)C[CH](OC)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](Oc5ccc6n(CC)ccc6c5)[CH](C4)OC;CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)Oc5ccc6c(c5)ccn6CC)C)O)C)OC)OC)C)C","InChI=1S/C53H78N2O12/c1-11-37-24-31(3)23-32(4)25-46(63-9)49-47(64-10)27-34(6)53(61,67-49)50(58)51(59)55-21-14-13-15-41(55)52(60)66-48(35(7)42(56)30-43(37)57)33(5)26-36-16-19-44(45(28-36)62-8)65-39-17-18-40-38(29-39)20-22-54(40)12-2/h17-18,20,22,24,26,29,32,34-37,41-42,44-49,56,61H,11-16,19,21,23,25,27-28,30H2,1-10H3/b31-24+,33-26+/t32-,34+,35+,36-,37+,41-,42-,44+,45+,46-,47-,48+,49+,53+/m0/s1","L-709,858","1999-07-08","2021-03-13","(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-ethyl-3-[(E)-2-{(1R,3R,4R)-4-[(1-ethyl-1H-indol-5-yl)oxy]-3-methoxycyclohexyl}-1-methylethenyl]-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",""],["R7F","(4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide","C22 H22 Cl N3 O2","CC(C)(O)c1cc2c(cc1)cncc2NC(=O)C1CCNc2ccc(Cl)cc21;CC(C)(O)c1ccc2cncc(NC(=O)[CH]3CCNc4ccc(Cl)cc34)c2c1;CC(C)(c1ccc2cncc(c2c1)NC(=O)C3CCNc4c3cc(cc4)Cl)O","InChI=1S/C22H22ClN3O2/c1-22(2,28)14-4-3-13-11-24-12-20(17(13)9-14)26-21(27)16-7-8-25-19-6-5-15(23)10-18(16)19/h3-6,9-12,16,25,28H,7-8H2,1-2H3,(H,26,27)/t16-/m1/s1","","2023-08-21","2023-11-03","(4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["859","2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE","C17 H15 N5 O2","O=C(N)c1ccccc1Nc2nc(ncc2)Nc3cc(O)ccc3;NC(=O)c1ccccc1Nc2ccnc(Nc3cccc(O)c3)n2;c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O","InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)","","2006-10-26","2011-06-04","2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide",""],["R7G","1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6\n-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid","C27 H28 N8 O12 S","O=C1N(C(c2c1cc(c(c2)O)O)=O)CCNC(=O)C=3CN(NC=3C(O)=O)CC(C=O)NC(=O)C(=N/OC(C)(C)C(O)=O)c4csc(n4)N;CC(C)(ON=C(C(=O)N[CH](CN1CC(=C(N1)C(O)=O)C(=O)NCCN2C(=O)c3cc(O)c(O)cc3C2=O)C=O)c4csc(N)n4)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O","InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1","YU253434","2020-02-05","2024-09-27","1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid","2020-05-13"],["85A","18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE","C23 H22 Cl N7 O3","Clc4cc2c(OCCCCCOc1nc(cnc1C#N)NC(=O)N2)cc4NCc3ccncc3;Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc4ccncc4)n3;c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N","InChI=1S/C23H22ClN7O3/c24-16-10-18-20(11-17(16)27-13-15-4-6-26-7-5-15)33-8-2-1-3-9-34-22-19(12-25)28-14-21(30-22)31-23(32)29-18/h4-7,10-11,14,27H,1-3,8-9,13H2,(H2,29,30,31,32)","7-CHLORO-3-OXO-8-[(PYRIDIN-4-YLMETHYL)-AMINO]-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(21),5(10)6,8,18(22),19-HEXAENE-19-CARBONITRILE","2007-02-01","2021-03-13","18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1H,10H-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile",""],["R7H","(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid","C18 H30 N4 O8 S","CCOCCn1cc(CSC[CH](O)[CH](O)[CH]2O[CH](C[CH](O)[CH]2NC(C)=O)C(O)=O)nn1;CCOCCn1cc(nn1)CSCC(C(C2C(C(CC(O2)C(=O)O)O)NC(=O)C)O)O","InChI=1S/C18H30N4O8S/c1-3-29-5-4-22-7-11(20-21-22)8-31-9-13(25)16(26)17-15(19-10(2)23)12(24)6-14(30-17)18(27)28/h7,12-17,24-26H,3-6,8-9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,14-,15+,16+,17+/m0/s1","","2020-09-15","2020-11-13","(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid","2020-11-18"],["85B","2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid","C22 H22 F3 N3 O5","Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O;Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F","InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30)","","2021-11-25","2022-01-28","2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid","2022-02-02"],["R7I","inosine diphosphate ribose","C15 H22 N4 O15 P2","O[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC=Nc34)[CH](O)[CH]1O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N=CNC2=O","InChI=1S/C15H22N4O15P2/c20-8-5(32-14(10(8)22)19-4-18-7-12(19)16-3-17-13(7)24)1-30-35(26,27)34-36(28,29)31-2-6-9(21)11(23)15(25)33-6/h3-6,8-11,14-15,20-23,25H,1-2H2,(H,26,27)(H,28,29)(H,16,17,24)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","","2018-09-20","2018-11-23","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2018-11-28"],["85C","1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea","C22 H21 Cl N4 O4","c2c(CNC(=O)Nc1cc(Cl)c(C)cc1)cc3c(c2)C(N(C3)C4C(NC(CC4)=O)=O)=O;Cc1ccc(NC(=O)NCc2ccc3c(CN([CH]4CCC(=O)NC4=O)C3=O)c2)cc1Cl;Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)C4CCC(=O)NC4=O","InChI=1S/C22H21ClN4O4/c1-12-2-4-15(9-17(12)23)25-22(31)24-10-13-3-5-16-14(8-13)11-27(21(16)30)18-6-7-19(28)26-20(18)29/h2-5,8-9,18H,6-7,10-11H2,1H3,(H2,24,25,31)(H,26,28,29)/t18-/m0/s1","","2016-02-01","2016-06-24","1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea","2016-06-29"],["R7J","[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid","C16 H11 F O3","c2cc1c(c(CC(O)=O)co1)cc2c3cccc(c3)F;OC(=O)Cc1coc2ccc(cc12)c3cccc(F)c3;c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O","InChI=1S/C16H11FO3/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-20-15)8-16(18)19/h1-7,9H,8H2,(H,18,19)","","2020-02-06","2021-02-05","[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid","2021-02-10"],["85D","(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene","C10 H15 Br","C2C1C(C)(C)C(C1)C(CBr)=C2;CC1(C)[CH]2CC=C(CBr)[CH]1C2;CC1(C2CC=C(C1C2)CBr)C","InChI=1S/C10H15Br/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6H2,1-2H3/t8-,9-/m1/s1","","2017-01-05","2017-04-07","(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene","2017-04-12"],["R7K","~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","C17 H13 F2 N3 O5","OCc1ccnc2N(O)C(=O)C(=C(O)c12)C(=O)NCc3ccc(F)cc3F;c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O","InChI=1S/C17H13F2N3O5/c18-10-2-1-8(11(19)5-10)6-21-16(25)13-14(24)12-9(7-23)3-4-20-15(12)22(27)17(13)26/h1-5,23-24,27H,6-7H2,(H,21,25)","","2020-09-17","2021-03-19","~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","2021-03-24"],["85E","{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium","C24 H18 F N6 O","N#Cc1c2ccccc2cc(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1;Cn1ncc(c2ccc3C(=O)NN=C(C[NH3+])c3c2)c1c4c(F)cc5ccccc5c4C#N;Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F","InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)/p+1","","2021-09-04","2022-01-21","{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium","2022-01-26"],["R7L","2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide","C20 H20 N4 O6 S","COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(cc(OC)c21)Cn1cccn1;COc1cc(Cn2cccn2)cc3onc(N[S](=O)(=O)c4c(OC)cccc4OC)c13;COc1cccc(c1S(=O)(=O)Nc2c3c(cc(cc3OC)Cn4cccn4)on2)OC","InChI=1S/C20H20N4O6S/c1-27-14-6-4-7-15(28-2)19(14)31(25,26)23-20-18-16(29-3)10-13(11-17(18)30-22-20)12-24-9-5-8-21-24/h4-11H,12H2,1-3H3,(H,22,23)","","2022-06-22","2023-06-30","2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide","2023-07-05"],["85F","(2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid","C6 H12 N2 O4 S","N[CH](CSC[CH](N)C(O)=O)C(O)=O;C(C(C(=O)O)N)SCC(C(=O)O)N","InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1","L-Lanthionine","2017-04-20","2020-06-17","(2~{R})-2-azanyl-3-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid","2018-04-11"],["R7M","(2R)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4H-1-benzopyran-4-one","C12 H9 F5 O4","C2(CC(=O)c1c(cc(cc1)OC)O2)(C(F)(F)C(F)(F)F)O;COc1ccc2C(=O)C[C](O)(Oc2c1)C(F)(F)C(F)(F)F;COc1ccc2c(c1)OC(CC2=O)(C(C(F)(F)F)(F)F)O","InChI=1S/C12H9F5O4/c1-20-6-2-3-7-8(18)5-10(19,21-9(7)4-6)11(13,14)12(15,16)17/h2-4,19H,5H2,1H3/t10-/m1/s1","","2020-02-06","2021-01-29","(2R)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4H-1-benzopyran-4-one","2021-02-03"],["85G","N-ethyl-L-glutamine","C7 H14 N2 O3","NC(C(O)=O)CCC(NCC)=O;CCNC(=O)CC[CH](N)C(O)=O;CCNC(=O)CCC(C(=O)O)N","InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1","","2017-01-05","2024-09-27","N-ethyl-L-glutamine","2017-05-24"],["R7N","4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","C24 H27 F2 N5 O6 S","NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13;c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N","InChI=1S/C24H27F2N5O6S/c25-17-2-1-16(19(26)12-17)14-29-23(32)20-21(27)18-11-15(13-28-22(18)31(34)24(20)33)3-9-38(35,36)10-6-30-4-7-37-8-5-30/h1-2,11-13,34H,3-10,14,27H2,(H,29,32)","INSTI XZ447","2020-09-17","2021-03-19","4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","2021-03-24"],["85H","1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole","C31 H23 Cl6 N2 O","Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(C[CH](OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3;c1cc(ccc1C(c2ccc(cc2)Cl)[n+]3ccn(c3)CC(c4ccc(cc4Cl)Cl)OCc5ccc(cc5Cl)Cl)Cl","InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1/t30-/m0/s1","","2021-10-01","2022-08-22","1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-1-ium","2022-08-17"],["R7O","Gossypin","C21 H20 O13","OC[CH]1O[CH](Oc2c(O)cc(O)c3C(=O)C(=C(Oc23)c4ccc(O)c(O)c4)O)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O","InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1","2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","2022-11-17","2024-01-05","2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one","2024-01-10"],["85I","[(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate","C35 H70 N O8 P","CNCCO[P](O)(=O)O[CH](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C;CC(C)CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCNC","InChI=1S/C35H70NO8P/c1-31(2)24-20-16-12-8-6-10-14-18-22-26-33(37)41-30-35(44-45(39,40)42-29-28-36-5)43-34(38)27-23-19-15-11-7-9-13-17-21-25-32(3)4/h31-32,35-36H,6-30H2,1-5H3,(H,39,40)/t35-/m1/s1","","2021-11-25","2022-12-23","[(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate","2022-12-28"],["R7P","2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one","C25 H29 N7 O2","COc1cc(ccc1Nc4ncc3NC(=O)Nc2cc(C)ccc2c3n4)N5CC(C)NC(C)C5;COc1cc(ccc1Nc2ncc3NC(=O)Nc4cc(C)ccc4c3n2)N5C[CH](C)N[CH](C)C5;Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5CC(NC(C5)C)C","InChI=1S/C25H29N7O2/c1-14-5-7-18-20(9-14)29-25(33)30-21-11-26-24(31-23(18)21)28-19-8-6-17(10-22(19)34-4)32-12-15(2)27-16(3)13-32/h5-11,15-16,27H,12-13H2,1-4H3,(H,26,28,31)(H2,29,30,33)/t15-,16+","","2020-02-06","2021-02-05","2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one","2021-02-10"],["85J","N-propyl-L-glutamine","C8 H16 N2 O3","NC(CCC(NCCC)=O)C(O)=O;CCCNC(=O)CC[CH](N)C(O)=O;CCCNC(=O)CCC(C(=O)O)N","InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1","","2017-01-05","2024-09-27","N-propyl-L-glutamine","2017-05-24"],["R7Q","2-methyl-1-(4-methylphenyl)propan-1-one","C11 H14 O","CC(C)C(=O)c1ccc(C)cc1;Cc1ccc(cc1)C(=O)C(C)C","InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3","2,4'-Dimethylpropiophenone","2020-09-17","2024-09-27","2-methyl-1-(4-methylphenyl)propan-1-one","2020-12-02"],["85K","(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium","C23 H19 Cl F N6 O2","N#Cc1c(OC2CC2)cc(Cl)c(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1;Cn1ncc(c2ccc3C(=O)NN=C(C[NH3+])c3c2)c1c4c(F)c(Cl)cc(OC5CC5)c4C#N;Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N","InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)/p+1","","2021-09-04","2022-01-21","(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium","2022-01-26"],["R7R","sulfoquinovose","C6 H12 O8 S","O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O","InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1","[(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid","2023-08-30","2023-12-22","[(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid","2023-12-27"],["85L","[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold","C3 H6 Au2 Cl2 N O2 S","N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O;C(C(C(=O)O)N)[S-]([Au]Cl)[Au]Cl","InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6;;;;/h2,7H,1,4H2,(H,5,6);;;2*1H/q;2*+1;;/p-3/t2-;;;;/m0..../s1","","2021-10-01","2024-09-27","[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold","2023-04-19"],["R7S","6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide","C21 H24 F N5 O2 S","CC(O)(C)C(F)CNC(=O)c4c(NC1CC1)cc(Nc3ccc2ncsc2c3)nc4;CC(C)(O)[CH](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC4CC4;CC(C)(C(CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O","InChI=1S/C21H24FN5O2S/c1-21(2,29)18(22)10-24-20(28)14-9-23-19(8-16(14)26-12-3-4-12)27-13-5-6-15-17(7-13)30-11-25-15/h5-9,11-12,18,29H,3-4,10H2,1-2H3,(H,24,28)(H2,23,26,27)/t18-/m1/s1","","2020-02-06","2020-06-19","6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide","2020-06-24"],["85M","(2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol","C28 H31 N O4","C1CCCN1CCOc2ccc(cc2)C4Oc3c(ccc(c3)O)C(C)C4c5ccc(O)cc5;C[CH]1[CH]([CH](Oc2cc(O)ccc12)c3ccc(OCCN4CCCC4)cc3)c5ccc(O)cc5;CC1c2ccc(cc2OC(C1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O","InChI=1S/C28H31NO4/c1-19-25-13-10-23(31)18-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28-/m0/s1","","2017-01-05","2018-01-05","(2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol","2018-01-10"],["R7T","4-[(thiophen-2-yl)methyl]benzoic acid","C12 H10 O2 S","OC(=O)c1ccc(cc1)Cc2cccs2;OC(=O)c1ccc(Cc2sccc2)cc1;c1cc(sc1)Cc2ccc(cc2)C(=O)O","InChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14)","","2019-10-25","2020-06-12","4-[(thiophen-2-yl)methyl]benzoic acid","2020-06-17"],["85N","[(2~{S})-2-[[(1~{R})-1,2-bis(13-methyltetradecanoyloxy)ethoxy]methyl]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium","C39 H76 N O7","CC(C)CCCCCCCCCCCC(=O)OC[CH](OC[CH](C[N+](C)(C)C)C(O)=O)OC(=O)CCCCCCCCCCCC(C)C;CC(C)CCCCCCCCCCCC(=O)OCC(OCC(C[N+](C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C","InChI=1S/C39H75NO7/c1-33(2)26-22-18-14-10-8-12-16-20-24-28-36(41)45-32-38(46-31-35(39(43)44)30-40(5,6)7)47-37(42)29-25-21-17-13-9-11-15-19-23-27-34(3)4/h33-35,38H,8-32H2,1-7H3/p+1/t35-,38+/m0/s1","","2021-11-25","2022-12-23","[(2~{S})-2-[[(1~{R})-1,2-bis(13-methyltetradecanoyloxy)ethoxy]methyl]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium","2022-12-28"],["R7U","RUTHENIUM WIRE, 7 CARBON LINKER","C47 H65 N7 O Ru","O(c1cccc(N(C)C)c1)CCCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10;CN(C)c1cccc(OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N(C=C2)[Ru]567(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2","InChI=1S/C27H31N3O.C10H18N2.C10H16N2.Ru/c1-30(2)23-12-8-13-24(20-23)31-19-7-5-3-4-6-10-21-16-18-29-27-25(21)15-14-22-11-9-17-28-26(22)27;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h8-9,11-18,20H,3-7,10,19H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6/t;;9-,10?;/m..1./s1","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[7-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)HEP\nTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM","2006-02-24","2024-09-27","[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[7-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)heptyl]oxy}-N,N-dimethylanilinato(2-)][(6R)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["85O","12-methoxy-Nb-methylvoachalotine","C24 H31 N2 O4","O=C(OC)C1(CO)C2Cc3c(C4CC1C(=CC)/C[N+]24C)n(C)c1c(OC)cccc31;COC(=O)[C]1(CO)[CH]2C[CH]3c4n(C)c5c(OC)cccc5c4C[CH]1[N+]3(C)CC2=CC;CC=C1C[N+]2(C3Cc4c5cccc(c5n(c4C2CC1C3(CO)C(=O)OC)C)OC)C","InChI=1S/C24H31N2O4/c1-6-14-12-26(3)18-11-17(14)24(13-27,23(28)30-5)20(26)10-16-15-8-7-9-19(29-4)22(15)25(2)21(16)18/h6-9,17-18,20,27H,10-13H2,1-5H3/q+1/b14-6-/t17-,18-,20-,24+,26-/m0/s1","","2021-09-06","2022-11-04","(4R,19E)-16-(hydroxymethyl)-12,17-dimethoxy-1,4-dimethyl-17-oxosarpagan-4-ium","2022-11-09"],["R7V","(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid","C30 H29 F8 N O5 S","c1c(cc2c(c1)C3(C(CC2)N(CC3)C(=O)C4CCC(CC4C)C(O)=O)S(c5ccc(cc5)F)(=O)=O)C(C(F)(F)F)(F)C(F)(F)F;C[CH]1C[CH](CC[CH]1C(=O)N2CC[C]3([CH]2CCc4cc(ccc34)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5)C(O)=O;CC1CC(CCC1C(=O)N2CCC3(C2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O","InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1","","2020-02-06","2020-04-03","(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid","2020-04-08"],["85P","2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid","C16 H9 Cl F N O5 S","c1(ccc3c(c1)c(C(O)=O)cc(c2ccc(cc2)Cl)n3)OS(F)(=O)=O;OC(=O)c1cc(nc2ccc(O[S](F)(=O)=O)cc12)c3ccc(Cl)cc3;c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl","InChI=1S/C16H9ClFNO5S/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(24-25(18,22)23)5-6-14(12)19-15/h1-8H,(H,20,21)","","2017-01-05","2024-09-27","2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid","2018-01-17"],["R7W","(5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione","C13 H8 N2 O2 S","O=C1NC(=O)C(S1)=Cc2ccc3ncccc3c2;c1cc2cc(ccc2nc1)C=C3C(=O)NC(=O)S3","InChI=1S/C13H8N2O2S/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-","","2020-09-17","2023-05-26","(5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione","2023-05-31"],["85Q","(2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide","C19 H18 Cl2 N2 O2","ClCC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc(Cl)c2)c3ccccc3;c1ccc(cc1)C2CC(N(C2)C(=O)CCl)C(=O)Nc3cccc(c3)Cl","InChI=1S/C19H18Cl2N2O2/c20-11-18(24)23-12-14(13-5-2-1-3-6-13)9-17(23)19(25)22-16-8-4-7-15(21)10-16/h1-8,10,14,17H,9,11-12H2,(H,22,25)/t14-,17+/m0/s1","","2021-10-04","2024-09-27","(2~{R},4~{R})-1-(2-chloranylethanoyl)-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide","2022-10-05"],["R7X","1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide","C20 H20 Br N3 O3","O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(c1)C(C)=O;CC(=O)c1cccc(CC(=O)N2CCC[CH]2C(=O)Nc3cccc(Br)n3)c1;CC(=O)c1cccc(c1)CC(=O)N2CCCC2C(=O)Nc3cccc(n3)Br","InChI=1S/C20H20BrN3O3/c1-13(25)15-6-2-5-14(11-15)12-19(26)24-10-4-7-16(24)20(27)23-18-9-3-8-17(21)22-18/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3,(H,22,23,27)/t16-/m0/s1","","2022-06-22","2022-10-28","1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide","2022-11-02"],["85R","[(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate","C41 H79 O13 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m1/s1","","2022-03-02","2022-04-15","[(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate","2022-04-20"],["R7Y","(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh\nexyl 3-amino-3-deoxy-alpha-D-glucopyranoside","C20 H39 N5 O10","CC(=O)NC1CC(C(OC1OC2C(N)CC(C(C2O)OC3OC(CO)C(O)C(C3O)N)N)CN)O;CC(=O)N[CH]1C[CH](O)[CH](CN)O[CH]1O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O;CC(=O)NC1CC(C(OC1OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)CN)O","InChI=1S/C20H39N5O10/c1-6(27)25-9-3-10(28)11(4-21)32-19(9)34-17-7(22)2-8(23)18(16(17)31)35-20-15(30)13(24)14(29)12(5-26)33-20/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)/t7-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20+/m0/s1","acetylated-tobramycin","2020-02-07","2021-05-28","(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside","2021-06-02"],["85S","1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one","C26 H30 N8 O2","c14c(ncnn1c(c2cc(ccc2)N3CCN(C(=O)C)CC3)cc4c6n(C5CCOCC5)ncc6)N;CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4ccnn4C5CCOCC5)c6n3ncnc6N;CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6","InChI=1S/C26H30N8O2/c1-18(35)31-9-11-32(12-10-31)21-4-2-3-19(15-21)24-16-22(25-26(27)28-17-30-34(24)25)23-5-8-29-33(23)20-6-13-36-14-7-20/h2-5,8,15-17,20H,6-7,9-14H2,1H3,(H2,27,28,30)","","2017-01-05","2017-02-03","1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one","2017-02-08"],["R7Z","~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide","C21 H23 F N2 O3","CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(F)c3C;CCCC(C(c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3","InChI=1S/C21H23FN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1","","2020-09-17","2021-03-05","~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide","2021-03-10"],["85T","4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one","C10 H15 N4 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(C#N)C1O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2C#N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N","InChI=1S/C10H15N4O13P3/c11-3-5-8(15)6(25-9(5)14-2-1-7(12)13-10(14)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,5-6,8-9,15H,4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8-,9+/m0/s1","","2021-09-08","2021-10-22","4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one","2021-10-27"],["R80","6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione","C11 H10 Cl2 N2 O3 S","O=C1C=C(C)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1;CC1=CC(=O)N[S](=O)(=O)N1Cc2ccc(Cl)c(Cl)c2;CC1=CC(=O)NS(=O)(=O)N1Cc2ccc(c(c2)Cl)Cl","InChI=1S/C11H10Cl2N2O3S/c1-7-4-11(16)14-19(17,18)15(7)6-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3,(H,14,16)","","2023-05-08","2025-07-25","6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione","2023-06-14"],["85U","methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","C30 H36 N10 O7","COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC=C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1;COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCNC(=N)NCC=CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C30H36N10O7/c1-46-28(44)17-11-16-6-7-18(13-19(16)20(41)12-17)39-30(45)35-9-3-2-8-33-29(32)34-10-4-5-21-23(42)24(43)27(47-21)40-15-38-22-25(31)36-14-37-26(22)40/h4-7,11-15,21,23-24,27,41-43H,2-3,8-10H2,1H3,(H2,31,36,37)(H3,32,33,34)(H2,35,39,45)/b5-4+/t21-,23-,24-,27-/m1/s1","","2021-10-04","2022-08-22","methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","2022-04-06"],["R81","N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)","C32 H36 N6 O4","C(NCc4ccc(C(=O)Nc3c(c(c2c(c(NC(c1ncc(cc1)CNCCO)=O)ccc2)C)ccc3)C)nc4)CO;Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1c3cccc(NC(=O)c4ccc(CNCCO)cn4)c3C;Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO","InChI=1S/C32H36N6O4/c1-21-25(5-3-7-27(21)37-31(41)29-11-9-23(19-35-29)17-33-13-15-39)26-6-4-8-28(22(26)2)38-32(42)30-12-10-24(20-36-30)18-34-14-16-40/h3-12,19-20,33-34,39-40H,13-18H2,1-2H3,(H,37,41)(H,38,42)","","2020-02-07","2021-01-15","N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)","2021-01-20"],["85V","1,4:3,6-dianhydro-2-O-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1H-benzimidazol-2-yl)-D-mannitol","C23 H23 Cl N2 O5","c6c(C1(CO)CC1)ccc(c2c(cc3c(c2)nc(n3)OC5C4C(C(CO4)O)OC5)Cl)c6;OCC1(CC1)c2ccc(cc2)c3cc4nc([nH]c4cc3Cl)O[CH]5CO[CH]6[CH](O)CO[CH]56;c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)OC4COC5C4OCC5O)C6(CC6)CO","InChI=1S/C23H23ClN2O5/c24-15-8-17-16(7-14(15)12-1-3-13(4-2-12)23(11-27)5-6-23)25-22(26-17)31-19-10-30-20-18(28)9-29-21(19)20/h1-4,7-8,18-21,27-28H,5-6,9-11H2,(H,25,26)/t18-,19-,20-,21-/m1/s1","","2017-01-06","2017-05-12","1,4:3,6-dianhydro-2-O-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1H-benzimidazol-2-yl)-D-mannitol","2017-05-17"],["R82","N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide","C19 H22 N2 O5 S","O=C(Nc1cc(c(OC)cc1OC)S(=O)(=O)N3c2ccccc2CC3C)C;COc1cc(OC)c(cc1NC(C)=O)[S](=O)(=O)N2[CH](C)Cc3ccccc23;CC1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C","InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)/t12-/m1/s1","","2011-11-30","2014-09-05","N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide",""],["85W","5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one","C14 H10 N2 O5","Oc1cc(O)c2c(O)cc(cc2c1)C3=NC=C(O)C(=O)N3;c1c2cc(cc(c2c(cc1C3=NC=C(C(=O)N3)O)O)O)O","InChI=1S/C14H10N2O5/c17-8-2-6-1-7(3-9(18)12(6)10(19)4-8)13-15-5-11(20)14(21)16-13/h1-5,17-20H,(H,15,16,21)","5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one","2023-07-10","2025-01-10","5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one","2025-01-15"],["R83","N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide","C22 H29 N3 O5 S","O=C(Nc1cc(c(OC)cc1OC)S(=O)(=O)NCc2ccccc2N3CCCCC3)C;COc1cc(OC)c(cc1NC(C)=O)[S](=O)(=O)NCc2ccccc2N3CCCCC3;CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3","InChI=1S/C22H29N3O5S/c1-16(26)24-18-13-22(21(30-3)14-20(18)29-2)31(27,28)23-15-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26)","","2011-12-05","2014-09-05","N-(2,4-dimethoxy-5-{[2-(piperidin-1-yl)benzyl]sulfamoyl}phenyl)acetamide",""],["85X","12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole","C24 H18 N4 O","Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36;Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6","InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)","Go 6976","2017-04-21","2021-03-01","","2017-10-11"],["R84","4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid","C29 H37 N3 O11 S","O=C(O)CCC(=O)Nc1cc(c(OC)cc1OC)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O;COc1cc(OC)c(cc1NC(=O)CCC(O)=O)[S](=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(O)=O;COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC","InChI=1S/C29H37N3O11S/c1-41-23-16-24(42-2)25(15-21(23)31-26(33)7-8-27(34)35)44(39,40)30-17-20-5-3-4-6-22(20)32-13-11-19(12-14-32)18-43-29(38)10-9-28(36)37/h3-6,15-16,19,30H,7-14,17-18H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)","","2011-12-05","2014-09-05","4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid",""],["85Y","2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate)","C21 H22 N3 O9 P","C3(N(C=C(C(=O)NCc2cc1ccccc1cc2)C(N3)=O)C4OC(C(C4)O)COP(O)(=O)O)=O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCc3ccc4ccccc4c3)C(=O)NC2=O;c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C21H22N3O9P/c25-16-8-18(33-17(16)11-32-34(29,30)31)24-10-15(20(27)23-21(24)28)19(26)22-9-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,10,16-18,25H,8-9,11H2,(H,22,26)(H,23,27,28)(H2,29,30,31)/t16-,17+,18+/m0/s1","","2017-01-06","2018-08-13","2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate)","2017-10-11"],["R85","5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine","C30 H38 Cl N8 O2 P","COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc3ncc(Cl)c(Nc4ccccc4[P](C)(C)=O)n3)c5cnn(C)c5;Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl","InChI=1S/C30H38ClN8O2P/c1-37(2)21-11-13-39(14-12-21)26-16-27(41-4)25(15-22(26)20-17-33-38(3)19-20)35-30-32-18-23(31)29(36-30)34-24-9-7-8-10-28(24)42(5,6)40/h7-10,15-19,21H,11-14H2,1-6H3,(H2,32,34,35,36)","","2020-09-17","2021-05-28","5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine","2021-06-02"],["85Z","(E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid","C26 H19 F O5","Cc1cc(F)ccc1C2=C(Cc3ccc(C=CC(O)=O)cc3)c4ccc(O)cc4OC2=O;Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)C=CC(=O)O)F","InChI=1S/C26H19FO5/c1-15-12-18(27)7-9-20(15)25-22(21-10-8-19(28)14-23(21)32-26(25)31)13-17-4-2-16(3-5-17)6-11-24(29)30/h2-12,14,28H,13H2,1H3,(H,29,30)/b11-6+","","2015-02-27","2015-04-17","(E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid","2015-04-22"],["R86","2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE","C27 H35 N7 O3","O=C(N3CCN(c1nc(nc(c1)C)n2ccnc2)CC3CC(=O)NCCc4ccc(OC)cc4)C(C)C;COc1ccc(CCNC(=O)C[CH]2CN(CCN2C(=O)C(C)C)c3cc(C)nc(n3)n4ccnc4)cc1;Cc1cc(nc(n1)n2ccnc2)N3CCN(C(C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C","InChI=1S/C27H35N7O3/c1-19(2)26(36)34-14-13-32(24-15-20(3)30-27(31-24)33-12-11-28-18-33)17-22(34)16-25(35)29-10-9-21-5-7-23(37-4)8-6-21/h5-8,11-12,15,18-19,22H,9-10,13-14,16-17H2,1-4H3,(H,29,35)/t22-/m1/s1","","2007-02-14","2011-06-04","2-[(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-(2-methylpropanoyl)piperazin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide",""],["860","2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide","C17 H13 Cl N2 O","Clc1cccc(c1)CC(=O)Nc1cncc2ccccc21;Clc1cccc(CC(=O)Nc2cncc3ccccc23)c1;c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C17H13ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21)","","2021-09-08","2021-09-10","2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide","2021-09-15"],["R87","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H16 Cl F N2 O3","Fc1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC;CO[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4cc(F)ccc34;COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)F","InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-2-13(21)9-16(18)20)19(25)24-17-11-23-10-12-8-14(22)3-4-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["861","3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate","C25 H33 N O7 S","O=S(=O)(N2C(C(=O)OCCCc1cc(OC)c(OC)c(OC)c1)CCCC2)Cc3ccccc3;COc1cc(CCCOC(=O)[CH]2CCCCN2[S](=O)(=O)Cc3ccccc3)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CCCOC(=O)C2CCCCN2S(=O)(=O)Cc3ccccc3","InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1","","2012-07-19","2012-07-27","3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate",""],["R88","(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE","C21 H22 Br N O2","Brc1ccc(cc1)C(=O)c3ccc(OC/C=C/CN(C)C2CC2)cc3;CN(CC=CCOc1ccc(cc1)C(=O)c2ccc(Br)cc2)C3CC3;CN(CC=CCOc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3","InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+","","2002-08-24","2011-06-04","(4-bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-en-1-yl}oxy)phenyl]methanone",""],["862","1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C23 H25 N9 O2","CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4ccc(cc4)C(C)=O)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N","InChI=1S/C23H25N9O2/c1-3-19(34)30-10-4-5-17(11-30)32-23-20(22(24)25-13-26-23)21(28-32)18-12-31(29-27-18)16-8-6-15(7-9-16)14(2)33/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H2,24,25,26)/t17-/m1/s1","","2018-11-28","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2019-02-27"],["R89","11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one","C24 H20 Cl F3 N4 O","FC(F)(F)c1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)n5ccnc25)cc1;c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4n3ccn4)Cc5ccc(cc5)C(F)(F)F","InChI=1S/C24H20ClF3N4O/c25-19-3-1-2-17(12-19)13-30-10-8-21-20(15-30)22(33)32(23-29-9-11-31(21)23)14-16-4-6-18(7-5-16)24(26,27)28/h1-7,9,11-12H,8,10,13-15H2","","2023-09-05","2024-08-30","11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one","2024-09-04"],["863","5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one","C20 H28 N2 O3","COc1ccc(cc1OC2CCCC2)C3=NN(C(C)C)C(=O)C3(C)C;CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C","InChI=1S/C20H28N2O3/c1-13(2)22-19(23)20(3,4)18(21-22)14-10-11-16(24-5)17(12-14)25-15-8-6-7-9-15/h10-13,15H,6-9H2,1-5H3","","2019-01-13","2020-01-31","5-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one","2020-02-05"],["R8A","(2-aminopyridin-3-yl)methanol","C6 H8 N2 O","c1nc(N)c(CO)cc1;Nc1ncccc1CO;c1cc(c(nc1)N)CO","InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)","","2020-02-10","2020-05-29","(2-aminopyridin-3-yl)methanol","2020-06-03"],["864","(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID","C22 H29 N2 O6 P","O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NC(=O)OCc2ccccc2)C(C)C;CC(C)[CH](NC(=O)OCc1ccccc1)[P](O)(=O)C[CH](C(O)=O)c2cccc(CN)c2;CC(C)C(NC(=O)OCc1ccccc1)P(=O)(CC(c2cccc(c2)CN)C(=O)O)O","InChI=1S/C22H29N2O6P/c1-15(2)20(24-22(27)30-13-16-7-4-3-5-8-16)31(28,29)14-19(21(25)26)18-10-6-9-17(11-18)12-23/h3-11,15,19-20H,12-14,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-,20+/m0/s1","","2007-04-20","2011-06-04","(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid",""],["R8B","methyl 3-O-((7-carboxy) quinolin-2-yl)-methyl)-beta-D-galactopyranoside","C18 H21 N O8","CO[CH]1O[CH](CO)[CH](O)[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O;COC1C(C(C(C(O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O","InChI=1S/C18H21NO8/c1-25-18-15(22)16(14(21)13(7-20)27-18)26-8-11-5-4-9-2-3-10(17(23)24)6-12(9)19-11/h2-6,13-16,18,20-22H,7-8H2,1H3,(H,23,24)/t13-,14+,15-,16+,18-/m1/s1","2-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]quinoline-7-carboxylic acid","2020-09-17","2022-02-02","2-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]quinoline-7-carboxylic acid","2021-07-28"],["865","7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid","C37 H36 N6 O4","O=C(N1CCNCC1)Cn5c4c(c3c(ccnc3n2ccnc2)C)cccc4c(c5C(=O)O)CCCOc7c6ccccc6ccc7;Cc1ccnc(n2ccnc2)c1c3cccc4c(CCCOc5cccc6ccccc56)c(n(CC(=O)N7CCNCC7)c34)C(O)=O;Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7","InChI=1S/C37H36N6O4/c1-25-14-15-40-36(42-21-18-39-24-42)33(25)30-11-5-10-28-29(12-6-22-47-31-13-4-8-26-7-2-3-9-27(26)31)35(37(45)46)43(34(28)30)23-32(44)41-19-16-38-17-20-41/h2-5,7-11,13-15,18,21,24,38H,6,12,16-17,19-20,22-23H2,1H3,(H,45,46)","","2014-10-10","2015-05-01","7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid","2015-05-06"],["R8C","2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide","C24 H19 F4 N3 O2","CC(C(Oc1cc2c(cc1)n(nc2)c3ccc(F)cc3)c4ccccc4)NC(=O)C(F)(F)F;C[CH](NC(=O)C(F)(F)F)[CH](Oc1ccc2n(ncc2c1)c3ccc(F)cc3)c4ccccc4;CC(C(c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F","InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1","","2016-06-09","2017-02-10","2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide","2017-02-15"],["866","5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide","C23 H21 Cl2 F4 N5 O3","Clc1cccc(Cl)c1C(=O)N(CC)CC(O)(C(F)(F)F)CNC(=O)c3cnn(c2ccc(F)cc2)c3N;CCN(C[C](O)(CNC(=O)c1cnn(c1N)c2ccc(F)cc2)C(F)(F)F)C(=O)c3c(Cl)cccc3Cl;CCN(CC(CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl","InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1","","2008-08-19","2011-06-04","5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide",""],["R8D","3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile","C20 H12 Cl2 N4 O2","N#Cc4cc(Oc3c(Cl)ccc(OCc2nnc1ncccc12)c3)cc(Cl)c4;Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N;c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl","InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)","","2008-07-16","2011-06-04","3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile",""],["867","methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","C30 H38 N10 O7","COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1;COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCNC(=N)NCCCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C30H38N10O7/c1-46-28(44)17-11-16-6-7-18(13-19(16)20(41)12-17)39-30(45)35-9-3-2-8-33-29(32)34-10-4-5-21-23(42)24(43)27(47-21)40-15-38-22-25(31)36-14-37-26(22)40/h6-7,11-15,21,23-24,27,41-43H,2-5,8-10H2,1H3,(H2,31,36,37)(H3,32,33,34)(H2,35,39,45)/t21-,23-,24-,27-/m1/s1","","2021-10-04","2022-08-22","methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","2022-04-06"],["R8E","3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile","C20 H13 Cl2 N5 O2","N#Cc4cc(Oc3c(Cl)ccc(OCc2nnc1nc(ccc12)N)c3)cc(Cl)c4;Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1;c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl","InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)","","2008-07-16","2011-06-04","3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile",""],["868","S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate","C14 H28 N3 O8 P S","C[CH](N)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)N","InChI=1S/C14H28N3O8PS/c1-9(15)13(21)27-7-6-16-10(18)4-5-17-12(20)11(19)14(2,3)8-25-26(22,23)24/h9,11,19H,4-8,15H2,1-3H3,(H,16,18)(H,17,20)(H2,22,23,24)/t9-,11-/m1/s1","","2022-03-02","2024-09-27","~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2~{R})-2-azanylpropanethioate","2022-07-13"],["R8F","(1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde","C14 H11 N5 O3","O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O;c1[nH]c2c(n1)ncnc2N3C=C(C4CC3OC=C4C=O)C=O","InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1","(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde","2022-11-25","2024-09-27","(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde","2023-11-29"],["869","(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE","C23 H26 N2 O5 S","O=C(c1c(O)n(nc1)C(C)(C)C)c3ccc(c(c2ccc(OC)cc2)c3C)S(=O)(=O)C;COc1ccc(cc1)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)c3cnn(c3O)C(C)(C)C;Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C","InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3","(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)-(6-METHANESULFONYL-4'-METHOXY-2-METHYL-BIPHENYL-3-YL)-METHANONE","2004-03-29","2020-06-17","(1-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)[4'-methoxy-2-methyl-6-(methylsulfonyl)biphenyl-3-yl]methanone",""],["R8G","2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","C46 H72 N12 O4","O=C6c2c5c3c(c(NCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCN4CCN(C)CC4)c5C(=O)N6CCCN7CCN(CC7)C)CCCN8CCN(C)CC8;CN1CCN(CCCNc2cc3C(=O)N(CCCN4CCN(C)CC4)C(=O)c5c(NCCCN6CCN(C)CC6)cc7C(=O)N(CCCN8CCN(C)CC8)C(=O)c2c7c35)CC1;CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C","InChI=1S/C46H72N12O4/c1-49-17-25-53(26-18-49)11-5-9-47-37-33-35-40-39-36(44(60)57(45(61)41(37)39)15-7-13-55-29-21-51(3)22-30-55)34-38(48-10-6-12-54-27-19-50(2)20-28-54)42(40)46(62)58(43(35)59)16-8-14-56-31-23-52(4)24-32-56/h33-34,47-48H,5-32H2,1-4H3","","2011-06-17","2012-02-10","2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone",""],["86A","(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID","C22 H29 N4 O6 P","O=C(NC(C(C)C)P(=O)(O)OC(c1cc(NC(=[N@H])N)ccc1)C(=O)O)CCc2ccccc2;CC(C)[CH](NC(=O)CCc1ccccc1)[P](O)(=O)O[CH](C(O)=O)c2cccc(NC(N)=N)c2;[H]N=C(N)Nc1cccc(c1)C(C(=O)O)OP(=O)(C(C(C)C)NC(=O)CCc2ccccc2)O","InChI=1S/C22H29N4O6P/c1-14(2)20(26-18(27)12-11-15-7-4-3-5-8-15)33(30,31)32-19(21(28)29)16-9-6-10-17(13-16)25-22(23)24/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t19-,20+/m0/s1","","2007-04-20","2011-06-04","(2S)-(3-carbamimidamidophenyl){[(S)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}ethanoic acid",""],["R8H","(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide","C28 H30 N4 O4","O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CCC(=O)N2Cc3ccccc3)C(=O)NCc4ccccn4;c1ccc(cc1)CC(C(C(=O)NCc2ccccn2)O)NC(=O)C3CCC(=O)N3Cc4ccccc4","InChI=1S/C28H30N4O4/c33-25-15-14-24(32(25)19-21-11-5-2-6-12-21)27(35)31-23(17-20-9-3-1-4-10-20)26(34)28(36)30-18-22-13-7-8-16-29-22/h1-13,16,23-24,26,34H,14-15,17-19H2,(H,30,36)(H,31,35)/t23-,24-,26+/m1/s1","","2020-09-18","2024-09-27","(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide","2021-07-07"],["86B","4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide","C12 H20 N2 O4 S","c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O;CC(C)NC[CH](O)COc1ccc(cc1)[S](N)(=O)=O;CC(C)NCC(COc1ccc(cc1)S(=O)(=O)N)O","InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1","aryloxy-2-hydroxypropylammine sulfonamide","2017-08-02","2020-06-17","4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide","2018-08-01"],["R8I","(4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H20 Cl N5 O2","N#CCNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)NCC#N;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)NCC#N","InChI=1S/C23H20ClN5O2/c24-17-6-5-16-12-29(14-22(30)27-8-7-25)13-20(19(16)9-17)23(31)28-21-11-26-10-15-3-1-2-4-18(15)21/h1-6,9-11,20H,8,12-14H2,(H,27,30)(H,28,31)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["86C","4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide","C21 H17 Cl F N5 O2 S","Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC3COC3)c2nc1C;Cc1nc2n(ncc2cc1Nc3c(F)cccc3Cl)c4csc(c4)C(=O)NC5COC5;Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F","InChI=1S/C21H17ClFN5O2S/c1-11-17(27-19-15(22)3-2-4-16(19)23)5-12-7-24-28(20(12)25-11)14-6-18(31-10-14)21(29)26-13-8-30-9-13/h2-7,10,13,27H,8-9H2,1H3,(H,26,29)","","2021-09-08","2021-10-29","4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide","2021-11-03"],["R8J","6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid","C11 H8 N6 O3","OC(=O)c1ccc(nc1)N2NC=C(n3ccnn3)C2=O;c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3","InChI=1S/C11H8N6O3/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20/h1-6,14H,(H,19,20)","","2015-06-04","2015-06-12","6-[3-oxidanylidene-4-(1,2,3-triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid","2015-06-17"],["86D","3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile","C17 H10 F5 N O4 S","N#Cc1cc(cc(F)c1)Oc3c2CC(F)(F)C(c2c(cc3)S(=O)(=O)C(F)F)O;O[CH]1c2c(CC1(F)F)c(Oc3cc(F)cc(c3)C#N)ccc2[S](=O)(=O)C(F)F;c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC(C2O)(F)F)S(=O)(=O)C(F)F","InChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1","","2017-01-06","2017-01-20","3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile","2017-01-25"],["R8K","(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide","C19 H19 F2 N5 O3 S","CS(=O)(=O)NC(=O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12;C[S](=O)(=O)NC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc(F)ccc5c34;CS(=O)(=O)NC(=O)C1(CN(CC12CCC2)c3c4c5ccc(cc5[nH]c4ncn3)F)F","InChI=1S/C19H19F2N5O3S/c1-30(28,29)25-17(27)19(21)9-26(8-18(19)5-2-6-18)16-14-12-4-3-11(20)7-13(12)24-15(14)22-10-23-16/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,25,27)(H,22,23,24)/t19-/m0/s1","","2022-06-22","2022-07-01","(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide","2022-07-06"],["86E","4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide","C16 H11 Cl2 F N4 O2","Cn1cc(NC(=O)c2[nH]cc(c2)C(=O)c3c(Cl)ccc(Cl)c3F)cn1;Cn1cc(cn1)NC(=O)c2cc(c[nH]2)C(=O)c3c(ccc(c3F)Cl)Cl","InChI=1S/C16H11Cl2FN4O2/c1-23-7-9(6-21-23)22-16(25)12-4-8(5-20-12)15(24)13-10(17)2-3-11(18)14(13)19/h2-7,20H,1H3,(H,22,25)","","2021-10-04","2022-08-22","4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide","2022-05-11"],["R8L","(E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid","C15 H17 N O5","CC[CH](OC(N)=O)[CH]1O[CH]1c2ccccc2C=CC(O)=O;CCC(C1C(O1)c2ccccc2C=CC(=O)O)OC(=O)N","InChI=1S/C15H17NO5/c1-2-11(20-15(16)19)14-13(21-14)10-6-4-3-5-9(10)7-8-12(17)18/h3-8,11,13-14H,2H2,1H3,(H2,16,19)(H,17,18)/b8-7+/t11-,13-,14+/m1/s1","","2023-09-05","2024-09-27","(~{E})-3-[2-[(2~{R},3~{S})-3-[(1~{R})-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid","2024-06-12"],["R8N","2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide","C9 H9 F4 N O3 S2","CN[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F;CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F","InChI=1S/C9H9F4NO3S2/c1-14-19(16,17)9-6(12)4(10)8(18-3-2-15)5(11)7(9)13/h14-15H,2-3H2,1H3","","2020-09-18","2021-08-27","2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide","2021-09-01"],["86F","(3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide","C12 H19 N3 O S","CSC(=N)N1CC[CH](C1)C(=O)NCCCC#C;CSC(=N)N1CCC(C1)C(=O)NCCCC#C","InChI=1S/C12H19N3OS/c1-3-4-5-7-14-11(16)10-6-8-15(9-10)12(13)17-2/h1,10,13H,4-9H2,2H3,(H,14,16)/b13-12-/t10-/m0/s1","","2023-07-10","2024-09-27","methyl (3~{S})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioate","2024-01-31"],["86G","2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide","C19 H19 N3 O2","COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1;COCc1cccc(CC(=O)Nc2ccc(cc2)c3c[nH]nc3)c1;COCc1cccc(c1)CC(=O)Nc2ccc(cc2)c3c[nH]nc3","InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)","","2021-09-08","2022-09-30","2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide","2022-10-05"],["R8O","(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H23 Cl N4 O2","Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)NC5CC5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)NC5CC5","InChI=1S/C24H23ClN4O2/c25-17-6-5-16-12-29(14-23(30)27-18-7-8-18)13-21(20(16)9-17)24(31)28-22-11-26-10-15-3-1-2-4-19(15)22/h1-6,9-11,18,21H,7-8,12-14H2,(H,27,30)(H,28,31)/t21-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["86H","6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide","C23 H20 Cl2 N6 O3 S","Clc1cccc(c1Cl)[S](=O)(=O)Nc2ccc(cc2)c3cc(C(=O)N[CH]4CCNC4)c5c[nH]nc5n3;c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)NC5CCNC5","InChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1","","2021-10-04","2022-08-22","6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide","2021-12-01"],["R8P","(1S)-1-(4-nitrophenyl)ethan-1-ol","C8 H9 N O3","c1cc(ccc1[N+]([O-])=O)C(C)O;C[CH](O)c1ccc(cc1)[N+]([O-])=O;CC(c1ccc(cc1)[N+](=O)[O-])O","InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1","","2020-02-10","2020-05-29","(1S)-1-(4-nitrophenyl)ethan-1-ol","2020-06-03"],["86I","6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole","C25 H22 N8 S","CCCc1nc2n(Cc3ccc4nc(sc4c3)c5ccccc5c6[nH]nnn6)ccc(C)c2n1;CCCc1nc-2c(ccn(c2n1)Cc3ccc4c(c3)sc(n4)c5ccccc5c6[nH]nnn6)C","InChI=1S/C25H22N8S/c1-3-6-21-27-22-15(2)11-12-33(24(22)28-21)14-16-9-10-19-20(13-16)34-25(26-19)18-8-5-4-7-17(18)23-29-31-32-30-23/h4-5,7-13H,3,6,14H2,1-2H3,(H,29,30,31,32)","","2022-03-03","2022-07-15","6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole","2022-07-20"],["R8Q","2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide","C10 H11 F4 N O2 S2","CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC;CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F","InChI=1S/C10H11F4NO2S2/c1-3-4-18-9-5(11)7(13)10(8(14)6(9)12)19(16,17)15-2/h15H,3-4H2,1-2H3","","2020-09-18","2021-08-27","2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide","2021-09-01"],["86J","6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine","C8 H8 F N3","c1(n2c(nc1C)ccc(F)c2)N;Cc1nc2ccc(F)cn2c1N;Cc1c(n2cc(ccc2n1)F)N","InChI=1S/C8H8FN3/c1-5-8(10)12-4-6(9)2-3-7(12)11-5/h2-4H,10H2,1H3","","2017-01-09","2017-01-26","6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine","2017-02-01"],["R8R","(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid","C19 H19 F N4 O2","O=C(O)C1CN(CCC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c21;OC(=O)[CH]1CN(CCC12CCC2)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC5(CCC5)C(C4)C(=O)O","InChI=1S/C19H19FN4O2/c20-11-2-3-12-14(8-11)23-16-15(12)17(22-10-21-16)24-7-6-19(4-1-5-19)13(9-24)18(25)26/h2-3,8,10,13H,1,4-7,9H2,(H,25,26)(H,21,22,23)/t13-/m1/s1","","2022-06-22","2022-07-01","(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid","2022-07-06"],["86K","2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one","C21 H22 N4 O","O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12;CN(CC(=O)N1CCC(=CC1)c2c[nH]c3ncccc23)c4ccccc4;CN(CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3)c4ccccc4","InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23)","","2021-09-08","2022-09-30","2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one","2022-10-05"],["R8S","2-hydrazinyl-4-methoxypyrimidine","C5 H8 N4 O","c1(nc(ccn1)OC)NN;COc1ccnc(NN)n1;COc1ccnc(n1)NN","InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)","","2020-02-10","2020-05-29","2-hydrazinyl-4-methoxypyrimidine","2020-06-03"],["R8T","(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid","C12 H21 N O7","CC(=O)N[CH]1[CH](O)C[CH](C[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(CC1O)C(=O)O)C(C(CO)O)O","InChI=1S/C12H21NO7/c1-5(15)13-10-7(11(18)9(17)4-14)2-6(12(19)20)3-8(10)16/h6-11,14,16-18H,2-4H2,1H3,(H,13,15)(H,19,20)/t6-,7-,8+,9-,10+,11+/m1/s1","isocarba-DANA","2020-09-18","2020-10-16","(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid","2020-10-21"],["86L","(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine","C10 H14 Cl N O","CC(C)Oc1ccc(CN)cc1Cl;CC(C)Oc1ccc(cc1Cl)CN","InChI=1S/C10H14ClNO/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-5,7H,6,12H2,1-2H3","","2016-12-14","2017-05-19","(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine","2017-05-24"],["86M","5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde","C15 H13 N3 O3","c2cn3ccnc3c(COc1cnc(OC)cc1C=O)c2;COc1cc(C=O)c(OCc2cccn3ccnc23)cn1;COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O","InChI=1S/C15H13N3O3/c1-20-14-7-12(9-19)13(8-17-14)21-10-11-3-2-5-18-6-4-16-15(11)18/h2-9H,10H2,1H3","","2017-01-09","2024-09-27","5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde","2017-02-22"],["R8U","Zoliflodacin","C22 H22 F N5 O7","C[CH]1CN2[CH]([CH](C)O1)C3(Cc4cc5c(onc5N6[CH](C)COC6=O)c(F)c24)C(=O)NC(=O)NC3=O;CC1CN2c3c(cc4c(c3F)onc4N5C(COC5=O)C)CC6(C2C(O1)C)C(=O)NC(=O)NC6=O","InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1","(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione","2022-11-26","2023-02-03","(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione","2023-02-08"],["86N","(2S)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid","C15 H17 N6 O10 P","N[CH](CCC(=O)O[P](O)(=O)OCc1oc(n2cnc3c(N)ncnc23)c(O)c1O)C(O)=O;c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CCC(C(=O)O)N)O)O)N","InChI=1S/C15H17N6O10P/c16-6(15(25)26)1-2-8(22)31-32(27,28)29-3-7-10(23)11(24)14(30-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-6,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-/m0/s1","","2021-10-04","2024-09-27","(2~{S})-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid","2021-10-27"],["R8V","(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one","C9 H9 N O2","c1cc2c(cc1)C(N(C)C2O)=O;CN1[CH](O)c2ccccc2C1=O;CN1C(c2ccccc2C1=O)O","InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1","","2020-02-10","2020-05-29","(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one","2020-06-03"],["86P","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate","C20 H28 N10 O21 P4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N","InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1","","2017-01-09","2017-06-30","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate","2017-07-05"],["R8W","7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C21 H20 N4 O2","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(Cn4cncn4)cc3;CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O","InChI=1S/C21H20N4O2/c1-13(2)16-4-3-5-17-18(20(21(26)27)24-19(16)17)15-8-6-14(7-9-15)10-25-12-22-11-23-25/h3-9,11-13,24H,10H2,1-2H3,(H,26,27)","","2020-09-18","2021-10-01","7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2021-10-06"],["86Q","5,6-Dihydro-benzo[H]cinnolin-3-ylamine","C12 H11 N3","Nc1cc2CCc3ccccc3c2nn1;c1ccc-2c(c1)CCc3c2nnc(c3)N","InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14)","","2021-09-08","2021-10-22","5,6-dihydrobenzo[h]cinnolin-3-amine","2021-09-15"],["R8X","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H25 Cl N4 O4 S","COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;COCCN(C)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C23H25ClN4O4S/c1-27(9-10-32-2)33(30,31)28-14-17-7-8-18(24)11-20(17)21(15-28)23(29)26-22-13-25-12-16-5-3-4-6-19(16)22/h3-8,11-13,21H,9-10,14-15H2,1-2H3,(H,26,29)/t21-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["86S","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C20 H26 N10 O15 P2","P(OP(O)(OCC1C(O)C(O)C(O1)n2cnc3c2N=C(NC3=O)N)=O)(O)(=O)OCC6OC(n5c4N=C(NC(=O)c4nc5)N)C(C6O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N","InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1","","2017-01-09","2017-06-30","bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name)","2017-07-05"],["R8Y","N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine","C10 H13 N O3 S","C(CCN(C(c1sccc1)=O)CC)(O)=O;CCN(CCC(O)=O)C(=O)c1sccc1;CCN(CCC(=O)O)C(=O)c1cccs1","InChI=1S/C10H13NO3S/c1-2-11(6-5-9(12)13)10(14)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)","","2020-02-10","2020-05-29","N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine","2020-06-03"],["86T","metyltetraprole","C19 H17 Cl N6 O2","CN1N=NN(C1=O)c2cccc(C)c2COc3cnn(c3)c4ccc(Cl)cc4;Cc1cccc(c1COc2cnn(c2)c3ccc(cc3)Cl)N4C(=O)N(N=N4)C","InChI=1S/C19H17ClN6O2/c1-13-4-3-5-18(26-19(27)24(2)22-23-26)17(13)12-28-16-10-21-25(11-16)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3","44WE6KNK7M","2023-03-17","2025-02-28","1-[2-[[1-(4-chlorophenyl)pyrazol-4-yl]oxymethyl]-3-methyl-phenyl]-4-methyl-1,2,3,4-tetrazol-5-one","2025-03-05"],["R8Z","(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione","C16 H17 F N4 O2 S","O=S1(=O)CCCC(C1)N(C)c1ncnc2[NH]c3cc(F)ccc3c21;CN([CH]1CCC[S](=O)(=O)C1)c2ncnc3[nH]c4cc(F)ccc4c23;CN(c1c2c3ccc(cc3[nH]c2ncn1)F)C4CCCS(=O)(=O)C4","InChI=1S/C16H17FN4O2S/c1-21(11-3-2-6-24(22,23)8-11)16-14-12-5-4-10(17)7-13(12)20-15(14)18-9-19-16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19,20)/t11-/m1/s1","","2022-06-22","2022-07-01","(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione","2022-07-06"],["86U","6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one","C16 H17 F2 N3 O2","Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1F;c1c2c(cc(c1F)F)N=CN(C2=O)CCCC3C(=O)CCCN3","InChI=1S/C16H17F2N3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1","","2017-04-27","2018-03-02","6,7-bis(fluoranyl)-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one","2018-03-07"],["R90","~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide","C16 H18 N8 O S2","Nc1sc(nn1)N2CC[CH](C2)Nc3sc(NC(=O)Cc4ccccc4)nn3;c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(C3)c4nnc(s4)N","InChI=1S/C16H18N8OS2/c17-13-20-23-16(26-13)24-7-6-11(9-24)18-14-21-22-15(27-14)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1","","2022-11-28","2023-01-13","~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide","2023-01-18"],["86V","(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol","C29 H31 N O4","C1C(C)CCN1CCOc2ccc(cc2)C4Oc3c(ccc(c3)O)C(C)=C4c5ccc(O)cc5;C[CH]1CCN(CCOc2ccc(cc2)[CH]3Oc4cc(O)ccc4C(=C3c5ccc(O)cc5)C)C1;CC1CCN(C1)CCOc2ccc(cc2)C3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O","InChI=1S/C29H31NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-12-9-24(32)17-27(26)34-29/h3-12,17,19,29,31-32H,13-16,18H2,1-2H3/t19-,29-/m0/s1","","2017-01-09","2018-01-05","(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol","2018-01-10"],["R91","1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one","C16 H20 F2 O4","FC(F)Oc2c(OC1CCOC1)cc(cc2)C(=O)CC(C)C;CC(C)CC(=O)c1ccc(OC(F)F)c(O[CH]2CCOC2)c1;CC(C)CC(=O)c1ccc(c(c1)OC2CCOC2)OC(F)F","InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m1/s1","","2017-07-19","2018-07-13","1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one","2018-07-18"],["86W","1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione","C19 H16 F3 N3 O3","CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3C(F)(F)F)cc2C)C;Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)C(F)(F)F","InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)","Tavapadon","2022-03-03","2022-10-06","1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione","2022-06-15"],["R92","4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide","C15 H15 Cl N2 O4 S","C[CH](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O;CC(c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl","InChI=1S/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m0/s1","","2017-05-11","2018-01-12","4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide","2018-01-17"],["86X","6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one","C16 H17 Cl F N3 O2","Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1Cl;c1c2c(cc(c1Cl)F)N=CN(C2=O)CCCC3C(=O)CCCN3","InChI=1S/C16H17ClFN3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1","","2017-04-27","2018-03-02","6-chloranyl-7-fluoranyl-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one","2018-03-07"],["R93","5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide","C27 H20 Cl N3 O4","O=C(NO)c1cc(ccc1C)Oc2nc3c(n2)cc(c(c3)Cl)c5ccc(c4c(cccc4)O)cc5;Cc1ccc(Oc2[nH]c3cc(Cl)c(cc3n2)c4ccc(cc4)c5ccccc5O)cc1C(=O)NO;Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl","InChI=1S/C27H20ClN3O4/c1-15-6-11-18(12-20(15)26(33)31-34)35-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)32/h2-14,32,34H,1H3,(H,29,30)(H,31,33)","","2018-01-29","2018-11-23","5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide","2018-11-28"],["86Y","(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol","C29 H31 N O4","C1N(CCC1C)CCOc2ccc(cc2)C4Oc3cc(ccc3C(=C4c5ccc(cc5)O)C)O;C[CH]1CCN(CCOc2ccc(cc2)[CH]3Oc4cc(O)ccc4C(=C3c5ccc(O)cc5)C)C1;CC1CCN(C1)CCOc2ccc(cc2)C3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O","InChI=1S/C29H31NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-12-9-24(32)17-27(26)34-29/h3-12,17,19,29,31-32H,13-16,18H2,1-2H3/t19-,29+/m1/s1","","2017-01-09","2018-01-05","(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol","2018-01-10"],["R94","N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE","C31 H35 N5 O4","O=C(c1ccncc1)NC5CNCCCC5NC(=O)c2ccc(cc2)C(=O)c3cc(ccc3O)N4CCCCC4;Oc1ccc(cc1C(=O)c2ccc(cc2)C(=O)N[CH]3CCCNC[CH]3NC(=O)c4ccncc4)N5CCCCC5;c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)NC4CCCNCC4NC(=O)c5ccncc5","InChI=1S/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/m1/s1","","2004-10-05","2011-06-04","N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}pyridine-4-carboxamide",""],["86Z","pyridin-2-ylboronic acid","C5 H6 B N O2","OB(O)c1ccccn1;B(c1ccccn1)(O)O","InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H","2-Pyridineboronic acid; Pyridine-2-boronic acid","2021-10-04","2022-09-30","pyridin-2-ylboronic acid","2022-10-05"],["R95","(4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H20 Cl N5 O3 S","N#CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CN(CC#N)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C22H20ClN5O3S/c1-27(9-8-24)32(30,31)28-13-16-6-7-17(23)10-19(16)20(14-28)22(29)26-21-12-25-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,9,13-14H2,1H3,(H,26,29)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["870","N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE","C20 H15 Cl2 N3 O4 S","Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4cccc(N)c4;COc1cc2nc(N[S](=O)(=O)c3cc(Cl)ccc3Cl)oc2c(c1)c4cccc(N)c4;COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N","InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)","","2006-01-25","2011-06-04","N-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide",""],["R96","N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE","C33 H39 N5 O4","O=C(c1ccncc1)NC5CNCCCC5NC(=O)c2ccc(cc2)C(=O)c3cc(ccc3O)N4CCCC(C4)(C)C;CC1(C)CCCN(C1)c2ccc(O)c(c2)C(=O)c3ccc(cc3)C(=O)N[CH]4CCCNC[CH]4NC(=O)c5ccncc5;CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)NC4CCCNCC4NC(=O)c5ccncc5)O)C","InChI=1S/C33H39N5O4/c1-33(2)14-4-18-38(21-33)25-10-11-29(39)26(19-25)30(40)22-6-8-23(9-7-22)31(41)36-27-5-3-15-35-20-28(27)37-32(42)24-12-16-34-17-13-24/h6-13,16-17,19,27-28,35,39H,3-5,14-15,18,20-21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1","","2004-10-05","2011-06-04","N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]pyridine-4-carboxamide",""],["871","2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile","C20 H20 N2 O2","c13ccccc1CN(C(c2cc(C(C)C)c(CC#N)cc2O)=O)C3;CC(C)c1cc(c(O)cc1CC#N)C(=O)N2Cc3ccccc3C2;CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2","InChI=1S/C20H20N2O2/c1-13(2)17-10-18(19(23)9-14(17)7-8-21)20(24)22-11-15-5-3-4-6-16(15)12-22/h3-6,9-10,13,23H,7,11-12H2,1-2H3","[4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile","2017-01-10","2021-03-13","[4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile","2018-01-10"],["R97","2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine","C10 H10 N2 S","C(c1ccccn1)c2nc(C)cs2;Cc1csc(Cc2ccccn2)n1;Cc1csc(n1)Cc2ccccn2","InChI=1S/C10H10N2S/c1-8-7-13-10(12-8)6-9-4-2-3-5-11-9/h2-5,7H,6H2,1H3","","2020-02-10","2020-05-29","2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine","2020-06-03"],["872","(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE","C17 H19 F6 N3 O2","O=C(N1C(C(=O)NCCC1)CC(F)(F)F)CC(N)Cc2cc(F)c(F)cc2F;N[CH](CC(=O)N1CCCNC(=O)[CH]1CC(F)(F)F)Cc2cc(F)c(F)cc2F;c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N","InChI=1S/C17H19F6N3O2/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)/t10-,14?/m1/s1","","2006-10-02","2011-06-04","(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one",""],["R98","7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine","C17 H14 F N5","Fc1ccc2c(c1)[NH]c1ncnc(c21)N(C)Cc1ccccn1;CN(Cc1ccccn1)c2ncnc3[nH]c4cc(F)ccc4c23;CN(Cc1ccccn1)c2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C17H14FN5/c1-23(9-12-4-2-3-7-19-12)17-15-13-6-5-11(18)8-14(13)22-16(15)20-10-21-17/h2-8,10H,9H2,1H3,(H,20,21,22)","","2022-06-22","2022-07-01","7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine","2022-07-06"],["873","3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one","C16 H21 N3 O3","O[CH](C[CH]1NCCC[CH]1O)CN2C=Nc3ccccc3C2=O;c1ccc2c(c1)C(=O)N(C=N2)CC(CC3C(CCCN3)O)O","InChI=1S/C16H21N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10-11,14-15,17,20-21H,3,6-9H2/t11-,14-,15-/m1/s1","","2017-04-27","2018-03-02","3-[(2~{R})-2-oxidanyl-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one","2018-03-07"],["R99","N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE","C19 H28 N2 O5","O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1;CC(C)CCNC(=O)[CH](CCc1ccccc1)NC(=O)[CH](O)CC(O)=O;CC(C)CCNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)O)O","InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16+/m1/s1","WRR-99","2000-05-03","2024-09-27","(3S)-3-hydroxy-4-({(2R)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid",""],["874","(2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone","C19 H21 N O4","C1N(Cc2c1cccc2)C(c3cc(c(c(c3O)CO)O)C(C)C)=O;CC(C)c1cc(c(O)c(CO)c1O)C(=O)N2Cc3ccccc3C2;CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2","InChI=1S/C19H21NO4/c1-11(2)14-7-15(18(23)16(10-21)17(14)22)19(24)20-8-12-5-3-4-6-13(12)9-20/h3-7,11,21-23H,8-10H2,1-2H3","(1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone","2017-01-10","2021-03-13","(1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone","2018-01-03"],["R9A","RUTHENIUM WIRE, 9 CARBON LINKER","C49 H69 N7 O Ru","O(c1cccc(N(C)C)c1)CCCCCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10;CN(C)c1cccc(OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N(C=C2)[Ru]567(N8CCCC[CH]8[CH]9CCCCN69)N%10CCCC[CH]%10[CH]%11C=CCCN7%11)c1;CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2","InChI=1S/C29H35N3O.C10H18N2.C10H16N2.Ru/c1-32(2)25-14-10-15-26(22-25)33-21-9-7-5-3-4-6-8-12-23-18-20-31-29-27(23)17-16-24-13-11-19-30-28(24)29;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-11,13-20,22H,3-9,12,21H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3*-2;+6","BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[9-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)NON\nYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM","2006-02-27","2020-06-17","[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[9-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)nonyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["875","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C15 H26 N6 O13 P2","NC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(CN)O)O)O)O)O)N","InChI=1S/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1","","2021-11-26","2022-11-18","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2022-11-23"],["R9B","N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo","C29 H23 Cl N4 O5","Clc1ccc2c(c1)C(=CC(=O)N2)CNC(=O)C(NC(=O)c4ccc3c(C(O)=CC(=O)N3)c4)Cc5ccccc5;OC1=CC(=O)Nc2ccc(cc12)C(=O)N[CH](Cc3ccccc3)C(=O)NCC4=CC(=O)Nc5ccc(Cl)cc45;c1ccc(cc1)CC(C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O","InChI=1S/C29H23ClN4O5/c30-19-7-9-22-20(13-19)18(12-26(36)32-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-28(38)17-6-8-23-21(11-17)25(35)14-27(37)33-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,32,36)(H,34,38)(H2,33,35,37)/t24-/m0/s1","","2014-02-26","2015-02-06","N-[(2S)-1-{[(6-chloro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]amino}-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide","2015-02-11"],["876","N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE","C30 H35 N3 O9 P2","O=P(O)(O)c1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(c(c1)[P](O)(O)=O)[P](O)(O)=O)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1","RU83876","2003-06-20","2020-06-17","Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphono-L-phenylalaninamide",""],["R9C","[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid","C22 H23 N O2","O=C(O)CC1CCCc2c3cc(C)ccc3n(Cc3ccccc3)c21;Cc1ccc2n(Cc3ccccc3)c4[CH](CCCc4c2c1)CC(O)=O;Cc1ccc2c(c1)c3c(n2Cc4ccccc4)C(CCC3)CC(=O)O","InChI=1S/C22H23NO2/c1-15-10-11-20-19(12-15)18-9-5-8-17(13-21(24)25)22(18)23(20)14-16-6-3-2-4-7-16/h2-4,6-7,10-12,17H,5,8-9,13-14H2,1H3,(H,24,25)/t17-/m0/s1","","2023-05-09","2023-06-09","[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid","2023-06-14"],["877","N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE","C18 H19 Br N4 O4","Brc1c(OC)cc(c(OC)c1)CC(=O)Nc2nc(OCC)c(C#N)c(c2)N;CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N;CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N","InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)","","2006-04-18","2011-06-04","N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide",""],["R9D","methyl 4-fluoro-D-phenylalaninate","C10 H12 F N O2","c1(ccc(cc1)F)CC(N)C(OC)=O;COC(=O)[CH](N)Cc1ccc(F)cc1;COC(=O)C(Cc1ccc(cc1)F)N","InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m1/s1","","2020-02-10","2025-05-16","methyl 4-fluoro-D-phenylalaninate","2025-05-21"],["878","5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID","C9 H6 I N O5","Ic1cc(c(NC(=O)C(=O)O)cc1)C(=O)O;OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O;c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O","InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)","NOVO NORDISK A/S COMPOUND","2000-02-02","2020-06-17","2-[(carboxycarbonyl)amino]-5-iodobenzoic acid",""],["R9E","2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide","C18 H14 Cl F N2 O2","Clc1cccc(c1)CC(=O)Nc1cncc2cc(F)c(cc21)OC;COc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F;COc1cc2c(cc1F)cncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C18H14ClFN2O2/c1-24-17-8-14-12(7-15(17)20)9-21-10-16(14)22-18(23)6-11-3-2-4-13(19)5-11/h2-5,7-10H,6H2,1H3,(H,22,23)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide","2023-11-08"],["879","6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine","C26 H20 Cl N5 O","Nc1cccc(Cn2c(ccc2c3ccccc3Cl)c4ccc(Oc5cncnc5)cc4)n1;c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl","InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31)","","2010-01-20","2011-06-04","6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine",""],["R9F","7-fluoro-9H-pyrimido[4,5-b]indol-4-amine","C10 H7 F N4","Fc1ccc2c(c1)[NH]c1ncnc(N)c21;Nc1ncnc2[nH]c3cc(F)ccc3c12;c1cc2c(cc1F)[nH]c3c2c(ncn3)N","InChI=1S/C10H7FN4/c11-5-1-2-6-7(3-5)15-10-8(6)9(12)13-4-14-10/h1-4H,(H3,12,13,14,15)","","2022-06-22","2022-07-01","7-fluoro-9H-pyrimido[4,5-b]indol-4-amine","2022-07-06"],["87A","N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide","C49 H58 F N9 O7 S","FC1(CC1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1OCCOc1ccc(CN2CCN(CC2)c2cc(nnc2N)c2ccccc2O)cc1)c1scnc1C)C(C)(C)C;Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOc5ccc(CN6CCN(CC6)c7cc(nnc7N)c8ccccc8O)cc5)c2;Cc1c(scn1)c2ccc(c(c2)OCCOc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)C7CC(CN7C(=O)C(C(C)(C)C)NC(=O)C8(CC8)F)O","InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1","ACBi1","2021-09-09","2022-09-30","N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide","2022-10-05"],["R9G","(3-methoxyphenyl)(pyrrolidin-1-yl)methanone","C12 H15 N O2","c2c(C(N1CCCC1)=O)cc(cc2)OC;COc1cccc(c1)C(=O)N2CCCC2;COc1cccc(c1)C(=O)N2CCCC2","InChI=1S/C12H15NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3","","2020-02-10","2020-05-29","(3-methoxyphenyl)(pyrrolidin-1-yl)methanone","2020-06-03"],["87B","N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide","C17 H17 N3 O2 S","O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4;c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4","InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19)","","2021-10-05","2023-06-09","~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)benzenesulfonamide","2023-06-14"],["R9H","Anderson-Evans polyoxometalate (biotin-functionalised)","C28 H42 Mn Mo6 N6 O28 S2","O.O.O.O.O.O.O.O.O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC34C[O++]56[Mo]78O[Mo]59O[Mo]%10%11O[Mo]%12%13O[Mo]%14%15O[Mo]%16(O7)[O++]%14(C3)[Mn]6%17%18([O++]%10%12C4)[O++]8%16CC(C[O++]9%11%17)(C[O++]%13%15%18)NC(=O)CCC=C[CH]%19SC[CH]%20NC(=O)N[CH]%19%20;C1C2C(C(S1)CCCCC(=O)NC34C[O+2]56[Mn]7891[O+2]%10(C3)[Mo]3%11([O+2]77[Mo]5(O3)(O[Mo]63([O+2]85CC(C7)(C[O+2]96[Mo]%10(O%11)(O[Mo]66([O+2]1(C4)[Mo]5(O3)(O6)([O])[O])([O])[O])([O])[O])NC(=O)CCC=CC1C3C(CS1)NC(=O)N3)([O])[O])([O])[O])([O])[O])NC(=O)N2","InChI=1S/C14H22N3O5S.C14H20N3O5S.Mn.6Mo.12H2O.6O/c2*18-6-14(7-19,8-20)17-11(21)4-2-1-3-10-12-9(5-23-10)15-13(22)16-12;;;;;;;;;;;;;;;;;;;;;;;;;/h9-10,12H,1-8H2,(H,17,21)(H2,15,16,22);1,3,9-10,12H,2,4-8H2,(H,17,21)(H2,15,16,22);;;;;;;;12*1H2;;;;;;/q2*+6;;6*+2;;;;;;;;;;;;;;;;;;/p-12/b;3-1+;;;;;;;;;;;;;;;;;;;;;;;;;/t2*9-,10-,12-;;;;;;;;;;;;;;;;;;;;;;;;;/m00........................./s1","","2022-11-28","2023-03-03","","2023-03-08"],["87C","3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one","C16 H23 N3 O3","O[CH]1CCCN[CH]1CC(=O)CN2C=NC3=C(CCCC3)C2=O;C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O","InChI=1S/C16H23N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h10,14-15,17,21H,1-9H2/t14-,15-/m1/s1","","2017-04-27","2018-03-02","3-[2-oxidanylidene-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one","2018-03-07"],["R9I","methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate","C23 H23 Cl N4 O5 S","O=C(OC)CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;COC(=O)CN(C)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(CC(=O)OC)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C23H23ClN4O5S/c1-27(14-22(29)33-2)34(31,32)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)26-21-11-25-10-15-5-3-4-6-18(15)21/h3-11,20H,12-14H2,1-2H3,(H,26,30)/t20-/m1/s1","","2023-08-22","2023-11-03","methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate","2023-11-08"],["R9J","2-methyl-N-(4-methylphenyl)-L-alanine","C11 H15 N O2","c1(ccc(cc1)C)NC(C)(C)C(O)=O;Cc1ccc(NC(C)(C)C(O)=O)cc1;Cc1ccc(cc1)NC(C)(C)C(=O)O","InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)12-11(2,3)10(13)14/h4-7,12H,1-3H3,(H,13,14)","","2020-02-10","2020-05-29","2-methyl-N-(4-methylphenyl)-L-alanine","2020-06-03"],["87D","N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide","C20 H20 N2 O5 S","C=3C(N(C)C=C(c1c(ccc(c1)NS(C)(=O)=O)Oc2ccccc2)C=3OC)=O;COC1=CC(=O)N(C)C=C1c2cc(N[S](C)(=O)=O)ccc2Oc3ccccc3;CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C","InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3","","2017-01-10","2017-05-05","N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide","2017-05-10"],["87E","(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid","C23 H36 N4 O21 P2","C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(=O)N[CH](CO)C(O)=O;CC(C(=O)NC(CO)C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C23H36N4O21P2/c1-8(19(35)25-10(5-28)21(36)37)44-18-14(24-9(2)30)22(46-11(6-29)16(18)33)47-50(41,42)48-49(39,40)43-7-12-15(32)17(34)20(45-12)27-4-3-13(31)26-23(27)38/h3-4,8,10-12,14-18,20,22,28-29,32-34H,5-7H2,1-2H3,(H,24,30)(H,25,35)(H,36,37)(H,39,40)(H,41,42)(H,26,31,38)/t8-,10+,11-,12-,14-,15-,16-,17-,18-,20-,22-/m1/s1","Uridine-5'-diphosphate-n-acetylmuramoyl-L-Serine","2021-11-26","2021-12-24","(2~{S})-2-[[(2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid","2021-12-29"],["R9K","3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid","C16 H12 Cl N O2","Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3Cl;Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O","InChI=1S/C16H12ClNO2/c1-9-5-4-7-11-13(10-6-2-3-8-12(10)17)15(16(19)20)18-14(9)11/h2-8,18H,1H3,(H,19,20)","","2020-09-21","2021-10-01","3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid","2021-10-06"],["87F","3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one","C16 H19 N3 O2","O=C1CCCN[CH]1CCCN2C=Nc3ccccc3C2=O;c1ccc2c(c1)C(=O)N(C=N2)CCCC3C(=O)CCCN3","InChI=1S/C16H19N3O2/c20-15-8-3-9-17-14(15)7-4-10-19-11-18-13-6-2-1-5-12(13)16(19)21/h1-2,5-6,11,14,17H,3-4,7-10H2/t14-/m1/s1","","2017-04-28","2018-03-02","3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one","2018-03-07"],["R9L","3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione","C14 H13 F N4 O2 S","O=S1(=O)CC(CNc2ncnc3[NH]c4cc(F)ccc4c23)C1;Fc1ccc2c([nH]c3ncnc(NCC4C[S](=O)(=O)C4)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)NCC4CS(=O)(=O)C4","InChI=1S/C14H13FN4O2S/c15-9-1-2-10-11(3-9)19-14-12(10)13(17-7-18-14)16-4-8-5-22(20,21)6-8/h1-3,7-8H,4-6H2,(H2,16,17,18,19)","","2022-06-22","2022-07-01","3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione","2022-07-06"],["87G","N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide","C22 H19 F2 N3 O4 S","c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)c4cn(C)c3c4C=CNC3=O;CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)c3cn(C)c4C(=O)NC=Cc34;CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F","InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)21-15(17)8-9-25-22(21)28/h4-12,26H,3H2,1-2H3,(H,25,28)","","2017-01-10","2017-06-09","N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide","2017-06-14"],["R9M","3-(1,3-thiazol-2-yl)propanoic acid","C6 H7 N O2 S","C(C(O)=O)Cc1nccs1;OC(=O)CCc1sccn1;c1csc(n1)CCC(=O)O","InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)","","2020-02-10","2020-05-29","3-(1,3-thiazol-2-yl)propanoic acid","2020-06-03"],["87H","(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide","C18 H15 F N2 O","Fc1cccc(c1)C(C)C(=O)Nc1cncc2ccccc21;C[CH](C(=O)Nc1cncc2ccccc12)c3cccc(F)c3;CC(c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3","InChI=1S/C18H15FN2O/c1-12(13-6-4-7-15(19)9-13)18(22)21-17-11-20-10-14-5-2-3-8-16(14)17/h2-12H,1H3,(H,21,22)/t12-/m1/s1","","2021-09-09","2021-09-10","(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide","2021-09-15"],["R9O","2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid","C11 H8 Cl N O3 S","O=C(O)c1csc(COc2ccccc2Cl)n1;OC(=O)c1csc(COc2ccccc2Cl)n1;c1ccc(c(c1)OCc2nc(cs2)C(=O)O)Cl","InChI=1S/C11H8ClNO3S/c12-7-3-1-2-4-9(7)16-5-10-13-8(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15)","","2023-05-09","2023-06-09","2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid","2023-06-14"],["R9P","8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one","C22 H20 Br Cl N4 O2","Clc5cc(NCC1CCNCC1)ccc5C3=Nc2c4c(oc2C(=O)N3)ccc(Br)c4;Clc1cc(NCC2CCNCC2)ccc1C3=Nc4c(oc5ccc(Br)cc45)C(=O)N3;c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br","InChI=1S/C22H20BrClN4O2/c23-13-1-4-18-16(9-13)19-20(30-18)22(29)28-21(27-19)15-3-2-14(10-17(15)24)26-11-12-5-7-25-8-6-12/h1-4,9-10,12,25-26H,5-8,11H2,(H,27,28,29)","","2012-03-05","2014-04-28","8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one","2013-01-11"],["87I","(2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid","C6 H11 N O3","CN1C[CH](O)C[CH]1C(O)=O;CN1CC(CC1C(=O)O)O","InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1","","2023-03-17","2024-03-22","(2~{R},4~{R})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid","2024-03-27"],["87J","(S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol","C28 H22 Cl F3 N4 O4 S","c1cc(ccc1c3c(c2cc(ccc2nc3OC)C(c4ccc(C(F)(F)F)nc4)(c5cncn5C)O)Cl)S(C)(=O)=O;COc1nc2ccc(cc2c(Cl)c1c3ccc(cc3)[S](C)(=O)=O)[C](O)(c4ccc(nc4)C(F)(F)F)c5cncn5C;Cn1cncc1C(c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O","InChI=1S/C28H22ClF3N4O4S/c1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39/h4-15,37H,1-3H3/t27-/m0/s1","","2017-01-10","2017-03-31","(S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol","2017-04-05"],["R9Q","3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile","C17 H14 N2 O2","CN1C[CH](Oc2ccccc2C1=O)c3cccc(c3)C#N;CN1CC(Oc2ccccc2C1=O)c3cccc(c3)C#N","InChI=1S/C17H14N2O2/c1-19-11-16(13-6-4-5-12(9-13)10-18)21-15-8-3-2-7-14(15)17(19)20/h2-9,16H,11H2,1H3/t16-/m0/s1","","2020-09-21","2020-12-11","3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile","2020-12-16"],["87K","henicosanoic acid","C21 H42 O2","CCCCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)","","2022-03-04","2023-03-03","henicosanoic acid","2023-03-08"],["R9R","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H24 Cl N3 O5 S2","O=S(=O)(CC1(C)CS(=O)(=O)C1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CC1(C[S](=O)(=O)C1)C[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2;CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C24H24ClN3O5S2/c1-24(13-34(30,31)14-24)15-35(32,33)28-11-17-6-7-18(25)8-20(17)21(12-28)23(29)27-22-10-26-9-16-4-2-3-5-19(16)22/h2-10,21H,11-15H2,1H3,(H,27,29)/t21-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["87L","(2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid","C12 H11 N O2","OC(=O)[CH](n1cccc1)c2ccccc2;c1ccc(cc1)C(C(=O)O)n2cccc2","InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1","","2017-05-01","2018-01-19","(2~{S})-2-phenyl-2-pyrrol-1-yl-ethanoic acid","2018-01-24"],["R9S","2-(2-methylphenyl)acetamide","C9 H11 N O","c1cc(CC(=O)N)c(C)cc1;Cc1ccccc1CC(N)=O;Cc1ccccc1CC(=O)N","InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)","","2020-02-10","2020-05-29","2-(2-methylphenyl)acetamide","2020-06-03"],["87M","N-[3-(7-methyl-1-oxo-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide","C21 H20 N4 O4 S","c1cc(c(cc1NS(CC)(=O)=O)c3c2C=NNC(c2c(n3)C)=O)Oc4ccccc4;CC[S](=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)c3[nH]c(C)c4C(=O)NN=Cc34;CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4","InChI=1S/C21H20N4O4S/c1-3-30(27,28)25-14-9-10-18(29-15-7-5-4-6-8-15)16(11-14)20-17-12-22-24-21(26)19(17)13(2)23-20/h4-12,23,25H,3H2,1-2H3,(H,24,26)","","2017-01-11","2017-06-09","N-[3-(7-methyl-1-oxo-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide","2017-06-14"],["R9T","(1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","C20 H25 N O4","COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC;COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)OC","InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m1/s1","R-Tetrahydropapaverine","2016-07-11","2021-03-01","(1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","2016-09-07"],["87N","[(2~{R},3~{R},4~{S},5~{S},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate ","C18 H29 N3 O15 P2","CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](NC(C)=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O","InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14-,15-,17-/m1/s1","","2021-09-09","2021-09-17","(2R,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-09-22"],["R9U","(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide","C16 H16 F N5 O4 S","CS(=O)(=O)NC(=O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12;C[S](=O)(=O)NC(=O)[CH]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23;CS(=O)(=O)NC(=O)C1CN(CCO1)c2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C16H16FN5O4S/c1-27(24,25)21-16(23)12-7-22(4-5-26-12)15-13-10-3-2-9(17)6-11(10)20-14(13)18-8-19-15/h2-3,6,8,12H,4-5,7H2,1H3,(H,21,23)(H,18,19,20)/t12-/m1/s1","","2022-06-22","2022-07-01","(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide","2022-07-06"],["87O","phosphono hexadecanoate","C16 H33 O5 P","CCCCCCCCCCCCCCCC(=O)O[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O","InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)","","2017-05-02","2017-12-01","phosphono hexadecanoate","2017-12-06"],["R9V","(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol","C14 H19 N O","c1ccccc1CN3C2CC(CC3CC2)O;O[CH]1C[CH]2CC[CH](C1)N2Cc3ccccc3;c1ccc(cc1)CN2C3CCC2CC(C3)O","InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+","","2020-02-10","2020-05-29","(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol","2020-06-03"],["87P","N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide","C22 H22 N2 O4 S","c1cc(c(cc1NS(C)(=O)=O)c2nc(c3c2CCCC3=O)C)Oc4ccccc4;Cc1[nH]c(c2CCCC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4;Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O","InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3","","2017-01-11","2017-06-09","N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide","2017-06-14"],["R9W","2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine","C12 H16 N2","Nc1c2CCCCc2nc3CCCc13;C1CCc2c(c(c3c(n2)CCC3)N)C1","InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)","","2020-09-21","2020-11-27","2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine","2020-12-02"],["87Q","Z-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid","C21 H36 O5","CCCCC[C](C)(O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O;CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O","InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1","7-[3,5-Dihydroxy-2-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]hept-5-enoic acid","2023-03-22","2024-01-26","(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{S})-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid","2024-01-31"],["R9X","[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid","C21 H30 N O4 P","CCCCCCCCCC(=O)N[CH](c1cccc2ccccc12)[P](O)(O)=O;CCCCCCCCCC(=O)NC(c1cccc2c1cccc2)P(=O)(O)O","InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)/t21-/m1/s1","","2022-11-28","2023-07-28","[(~{R})-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid","2023-08-02"],["87R","6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C18 H17 F3 N4 O2","CC[CH](NC(=O)c1cnn2cc(C)cnc12)c3ccc(OC(F)(F)F)cc3;CCC(c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C","InChI=1S/C18H17F3N4O2/c1-3-15(12-4-6-13(7-5-12)27-18(19,20)21)24-17(26)14-9-23-25-10-11(2)8-22-16(14)25/h4-10,15H,3H2,1-2H3,(H,24,26)/t15-/m1/s1","","2017-05-11","2017-08-11","6-methyl-~{N}-[(1~{R})-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2017-08-16"],["R9Y","1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine","C11 H16 N2","c12cc(ccc1N(CCC2)C)CN;CN1CCCc2cc(CN)ccc12;CN1CCCc2c1ccc(c2)CN","InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3","","2020-02-10","2020-05-29","1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine","2020-06-03"],["87S","5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide","C18 H15 Cl N2 O2","c2c(c(c1cc(C(N)=O)c(n1)C)ccc2)Oc3ccc(cc3)Cl;Cc1[nH]c(cc1C(N)=O)c2ccccc2Oc3ccc(Cl)cc3;Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N","InChI=1S/C18H15ClN2O2/c1-11-15(18(20)22)10-16(21-11)14-4-2-3-5-17(14)23-13-8-6-12(19)7-9-13/h2-10,21H,1H3,(H2,20,22)","","2017-01-11","2017-06-23","5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide","2017-06-28"],["R9Z","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H24 Cl N3 O4 S","COC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;COC1(CC1)C[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2;COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C24H24ClN3O4S/c1-32-24(8-9-24)15-33(30,31)28-13-17-6-7-18(25)10-20(17)21(14-28)23(29)27-22-12-26-11-16-4-2-3-5-19(16)22/h2-7,10-12,21H,8-9,13-15H2,1H3,(H,27,29)/t21-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["87T","N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide","C20 H19 N5 O2","O=C(Nc4ccc(Oc2ccc3ncc(c1cn(nc1)C)c3c2)cc4)CN;Cn1cc(cn1)c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23;Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN","InChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26)","","2015-02-27","2015-04-17","N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide","2015-04-22"],["RA0","3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid","C20 H20 N2 O2","OC(CCc1cc(ccc1)N(CC)c3nc2ccccc2cc3)=O;CCN(c1cccc(CCC(O)=O)c1)c2ccc3ccccc3n2;CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2","InChI=1S/C20H20N2O2/c1-2-22(17-8-5-6-15(14-17)10-13-20(23)24)19-12-11-16-7-3-4-9-18(16)21-19/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,24)","","2016-04-27","2017-04-21","3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid","2017-04-26"],["87U","(3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione","C26 H23 F N4 O3","CC(C)(C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cccc(c3)C(=O)c4ccc(F)cc4;CC(C)(C)c1c([nH]cn1)C=C2C(=O)NC(=Cc3cccc(c3)C(=O)c4ccc(cc4)F)C(=O)N2","InChI=1S/C26H23FN4O3/c1-26(2,3)23-19(28-14-29-23)13-21-25(34)30-20(24(33)31-21)12-15-5-4-6-17(11-15)22(32)16-7-9-18(27)10-8-16/h4-14H,1-3H3,(H,28,29)(H,30,34)(H,31,33)/b20-12-,21-13-","","2017-05-15","2017-10-13","(3~{Z},6~{Z})-3-[(4-~{tert}-butyl-1~{H}-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione","2017-10-18"],["RA1","2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide","C13 H10 Cl N3 O5 S","N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1;c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22)","","2017-05-10","2018-01-12","2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide","2018-01-17"],["RA2","1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE","C18 H26 N2 O5","O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)NC(CC)CC;CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(O)=O;CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O","InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)","","1999-07-08","2011-06-04","4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid",""],["87V","2-methyl-5-phenyl-1H-pyrrole-3-carboxamide","C12 H12 N2 O","c1c(cccc1)c2cc(C(=O)N)c(C)n2;Cc1[nH]c(cc1C(N)=O)c2ccccc2;Cc1c(cc([nH]1)c2ccccc2)C(=O)N","InChI=1S/C12H12N2O/c1-8-10(12(13)15)7-11(14-8)9-5-3-2-4-6-9/h2-7,14H,1H3,(H2,13,15)","","2017-01-11","2017-06-09","2-methyl-5-phenyl-1H-pyrrole-3-carboxamide","2017-06-14"],["87X","5-cyclohexylpentanoic acid","C11 H20 O2","OC(=O)CCCCC1CCCCC1;C1CCC(CC1)CCCCC(=O)O","InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)","Cyclohexane-valeric acid","2017-05-16","2020-06-17","5-cyclohexylpentanoic acid","2017-12-06"],["RA3","[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid","C17 H17 F N4 O4","OCC1CN(CC(CC(=O)O)O1)c1ncnc2[NH]c3cc(F)ccc3c12;OC[CH]1CN(C[CH](CC(O)=O)O1)c2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC(OC(C4)CO)CC(=O)O","InChI=1S/C17H17FN4O4/c18-9-1-2-12-13(3-9)21-16-15(12)17(20-8-19-16)22-5-10(4-14(24)25)26-11(6-22)7-23/h1-3,8,10-11,23H,4-7H2,(H,24,25)(H,19,20,21)/t10-,11-/m1/s1","","2022-06-22","2022-07-01","[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid","2022-07-06"],["87Y","7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN","C16 H19 N5 O2","O=C1C=2N=C(CO)C(NC=2N=C(N1)N)(CCc3ccccc3)C;C[C]1(CCc2ccccc2)NC3=C(N=C1CO)C(=O)NC(=N3)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3","InChI=1S/C16H19N5O2/c1-16(8-7-10-5-3-2-4-6-10)11(9-22)18-12-13(21-16)19-15(17)20-14(12)23/h2-6,22H,7-9H2,1H3,(H4,17,19,20,21,23)/t16-/m0/s1","2-AMINO-6-HYDROXYMETHYL-7-METHYL-7-PHENETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE;\n7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN","2000-01-24","2020-06-17","(7S)-2-amino-6-(hydroxymethyl)-7-methyl-7-(2-phenylethyl)-7,8-dihydropteridin-4(3H)-one",""],["RA4","N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE","C23 H35 N7 O5","O=C(NCCCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)c1ccc([N+]([O-])=O)cc1)CC(C)C)CCC2;CC(C)C[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)N2CCC[CH]2C(=O)NCCCCNC(N)=N;CC(C)CC(C(=O)N1CCCC1C(=O)NCCCCNC(=N)N)NC(=O)c2ccc(cc2)[N+](=O)[O-]","InChI=1S/C23H35N7O5/c1-15(2)14-18(28-20(31)16-7-9-17(10-8-16)30(34)35)22(33)29-13-5-6-19(29)21(32)26-11-3-4-12-27-23(24)25/h7-10,15,18-19H,3-6,11-14H2,1-2H3,(H,26,32)(H,28,31)(H4,24,25,27)/t18-,19-/m0/s1","1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE","2005-02-03","2020-06-17","N-(4-nitrobenzoyl)-L-leucyl-N-(4-carbamimidamidobutyl)-L-prolinamide",""],["RA5","8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide","C17 H14 N2 O6 S","COc1cccc2C=C(C(=O)Nc3ccc(cc3)[S](N)(=O)=O)C(=O)Oc12;COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C17H14N2O6S/c1-24-14-4-2-3-10-9-13(17(21)25-15(10)14)16(20)19-11-5-7-12(8-6-11)26(18,22)23/h2-9H,1H3,(H,19,20)(H2,18,22,23)","","2017-05-11","2018-05-25","8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide","2018-05-30"],["87Z","[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C18 H29 N3 O15 P2","CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](NC(C)=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O","InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1","","2021-09-09","2021-09-17","(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-09-22"],["880","CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE","C27 H34 Cl2 N6","Clc5ccc(c1nc(n(c1c2nc(ncc2)NC3CCCCC3)CCC)C4CCNCC4)cc5Cl;CCCn1c(nc(c2ccc(Cl)c(Cl)c2)c1c3ccnc(NC4CCCCC4)n3)C5CCNCC5;CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5","InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)","","2003-06-16","2011-06-04","N-cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-piperidin-4-yl-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine",""],["RA7","[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol","C8 H12 N2 O2 S","C1CN(CCO1)c2sc(CO)cn2;OCc1sc(nc1)N2CCOCC2;c1c(sc(n1)N2CCOCC2)CO","InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2","","2020-02-10","2020-05-29","[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol","2020-06-03"],["881","N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide","C38 H40 N8 O3","n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N;NC(=Nc1ccc(c2oc(cc2)c3ccc(cc3OC4CCNCC4)N=C(N)c5ccccn5)c(OC6CCNCC6)c1)c7ccccn7;c1ccnc(c1)C(=Nc2ccc(c(c2)OC3CCNCC3)c4ccc(o4)c5ccc(cc5OC6CCNCC6)N=C(c7ccccn7)N)N","InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46)","DB1880","2010-08-24","2021-03-01","N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide",""],["RA8","N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE","C23 H38 N6 O4 S","O=C(NCCCCNC(=[N@H])N)C2N(C(=O)C(NS(=O)(=O)Cc1ccccc1)CC(C)C)CCC2;CC(C)C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCCCCNC(N)=N;CC(C)CC(C(=O)N1CCCC1C(=O)NCCCCNC(=N)N)NS(=O)(=O)Cc2ccccc2","InChI=1S/C23H38N6O4S/c1-17(2)15-19(28-34(32,33)16-18-9-4-3-5-10-18)22(31)29-14-8-11-20(29)21(30)26-12-6-7-13-27-23(24)25/h3-5,9-10,17,19-20,28H,6-8,11-16H2,1-2H3,(H,26,30)(H4,24,25,27)/t19-,20-/m0/s1","1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE","2005-02-03","2020-06-17","N-(benzylsulfonyl)-L-leucyl-N-(4-carbamimidamidobutyl)-L-prolinamide",""],["882","(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID","C33 H34 F2 N2 O5","O=C(O)CC(O)CC(O)CCc2c(c(c(C(=O)Nc1ccccc1)n2C(C)C)c3ccc(F)cc3)c4ccc(F)cc4;CC(C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c1C(=O)Nc4ccccc4;CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C33H34F2N2O5/c1-20(2)37-28(17-16-26(38)18-27(39)19-29(40)41)30(21-8-12-23(34)13-9-21)31(22-10-14-24(35)15-11-22)32(37)33(42)36-25-6-4-3-5-7-25/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)/t26-,27-/m1/s1","","2007-05-30","2011-06-04","(3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-(1-methylethyl)-5-(phenylcarbamoyl)-1H-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid",""],["RA9","2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide","C10 H11 N5 O3 S3","Nc1sc(SCC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nn1;c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N","InChI=1S/C10H11N5O3S3/c11-9-14-15-10(20-9)19-5-8(16)13-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,14)(H,13,16)(H2,12,17,18)","","2017-05-11","2018-01-12","2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide","2018-01-17"],["883","1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea","C19 H16 F N7 O","Fc4cc(c1cc3nc(NC(=O)NCC)nc3c(c1)c2ncccn2)cnc4;CCNC(=O)Nc1[nH]c2c(cc(cc2c3ncccn3)c4cncc(F)c4)n1;CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4","InChI=1S/C19H16FN7O/c1-2-22-19(28)27-18-25-15-8-11(12-6-13(20)10-21-9-12)7-14(16(15)26-18)17-23-4-3-5-24-17/h3-10H,2H2,1H3,(H3,22,25,26,27,28)","","2014-04-01","2014-10-24","1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea","2014-10-29"],["RAA","ALPHA-RHAMNOSE","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1","","2002-12-11","2009-12-08","6-deoxy-alpha-L-mannopyranose",""],["884","4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide","C22 H19 N5","[N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4;NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)c4ccc(cc4)C(N)=N;c1cc(ccc1c2ccc3cc([nH]c3c2)c4ccc(cc4)C(=N)N)C(=N)N","InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26)","","2011-04-26","2023-02-17","4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide","2023-02-22"],["RAB","2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL","C10 H13 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1","9-BETA-D-ARABINOFURANOSYL-ADENINE","2003-07-09","2021-03-01","9-beta-D-arabinofuranosyl-9H-purin-6-amine",""],["RAC","4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID","C18 H18 N2 O5","O=C(N(C)C)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O;CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O;CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O","InChI=1S/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)","","2002-11-18","2011-06-04","4-[({[2-(dimethylcarbamoyl)phenyl]carbamoyl}oxy)methyl]benzoic acid",""],["885","1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE","C12 H15 Cl N2 O4 S","O=C(O)C2N(S(=O)(=O)c1cc(c(Cl)cc1N)C)CCC2;Cc1cc(c(N)cc1Cl)[S](=O)(=O)N2CCC[CH]2C(O)=O;Cc1cc(c(cc1Cl)N)S(=O)(=O)N2CCCC2C(=O)O","InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1","1-(2-AMINO-4-CHLORO-5-METHYLPHENYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID","2006-03-15","2020-06-17","1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-L-proline",""],["886","N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine","C28 H31 N O6 S","O=C(O)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C)C(C)C;CC(C)[CH](N[S](=O)(=O)c1ccc(cc1)c2ccc(COc3ccc(cc3)C(=O)C(C)C)cc2)C(O)=O;CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C","InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1","","2007-10-25","2011-06-04","N-[(4'-{[4-(2-methylpropanoyl)phenoxy]methyl}biphenyl-4-yl)sulfonyl]-D-valine",""],["RAD","C49-METHYL RAPAMYCIN","C52 H81 N O13","O=C2C(C)CC(C=CC=CC=C(C)C(OCC)CC4OC(O)(C(=O)C(=O)N3C(C(=O)OC(C(C)CC1CCC(O)C(OC)C1)CC(=O)C(C=C(C)C(O)C2OC)C)CCCC3)C(CC4)C)C;CCO[CH]1C[CH]2CC[CH](C)[C](O)(O2)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH](CC(=O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C1C)[CH](C)C[CH]4CC[CH](O)[CH](C4)OC;CCOC1CC2CCC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(C=C(C(C(C(=O)C(CC(C=CC=CC=C1C)C)C)OC)O)C)C)C(C)CC4CCC(C(C4)OC)O)O)C","InChI=1S/C52H81NO13/c1-11-64-43-29-39-22-20-37(8)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(34(5)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(4)26-36(7)47(57)48(63-10)46(56)35(6)25-31(2)17-13-12-14-18-32(43)3/h12-14,17-18,26,31,33-35,37-41,43-45,47-48,54,57,61H,11,15-16,19-25,27-30H2,1-10H3/b14-12+,17-13+,32-18+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,43+,44+,45-,47-,48+,52-/m1/s1","","1999-07-08","2012-01-05","(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-21-ethoxy-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10-methoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",""],["RAE","alpha-L-Olivopyranose","C6 H12 O4","OC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1O;CC1C(C(CC(O1)O)O)O","InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5+,6-/m0/s1","alpha-L-Olivose; 2,6-dideoxy-alpha-L-arabino-hexopyranose; 2,6-dideoxy-alpha-L-glucopyranose;\n2,6-dideoxy-alpha-L-mannopyranose; 2-deoxy-alpha-L-quinovopyranose; 2-deoxy-alpha-L-rhamnoopyranose; L-Olivose; Olivose;\n2-DEOXY-ALPHA-RHAMNOSE","2002-12-11","2020-07-17","2,6-dideoxy-alpha-L-arabino-hexopyranose",""],["887","N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide","C25 H22 N2 O4","O=C(NC1CC1)c5cccc4cc(Oc2c3cc(OC)c(OC)cc3ncc2)ccc45;COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC5CC5)c3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5","InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)","","2007-11-02","2011-06-04","N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide",""],["RAF","raffinose","C18 H32 O16","O2C(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)C2OC3(OC(C(O)C3O)CO)CO;OC[CH]1O[CH](OC[CH]2O[CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O","InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1","","2008-01-28","2020-07-17","beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside",""],["888","3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one","C21 H21 N3 O4 S","O=C3N(c4ccccc4C(O)=C3C2=NS(=O)(=O)c1ccccc1N2)CCC(C)C;CC(C)CCN1C(=O)C(=C(O)c2ccccc12)C3=N[S](=O)(=O)c4ccccc4N3;CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O","InChI=1S/C21H21N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)","","2006-02-01","2011-06-04","3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one",""],["RAH","[(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid","C6 H13 O11 P S","O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O;C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O","InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1","6-deoxy-6-sulfo-D-fructose 1-phosphate","2020-09-22","2021-04-09","[(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid","2021-04-14"],["889","N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE","C19 H31 N5 O2","O=C(N2C(c1nnc(NC(=O)CC(C)C)c1C2)(C)C)C3CCN(C)CC3;CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C3CCN(C)CC3)C2(C)C;CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C","InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)","","2009-08-03","2011-06-04","N-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide",""],["88A","8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine","C23 H23 N5 O3 S","O=S(=O)(c1ccc(cc1)c2cccn3nc(nc23)Nc5ccc(N4CCOCC4)cc5)C;C[S](=O)(=O)c1ccc(cc1)c2cccn3nc(Nc4ccc(cc4)N5CCOCC5)nc23;CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5","InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)","[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-morpholin-4-yl-phenyl)-amine","2012-04-16","2020-06-17","8-[4-(methylsulfonyl)phenyl]-N-[4-(morpholin-4-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine",""],["RAI","1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE","C14 H18 N4 O5","O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)NC(=[N@H])N;NC(=N)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(O)=O;c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO","InChI=1S/C14H18N4O5/c15-13(16)17-9-5-8(12(22)23)1-2-10(9)18-11(21)3-4-14(18,6-19)7-20/h1-2,5,19-20H,3-4,6-7H2,(H,22,23)(H4,15,16,17)","","1999-07-08","2011-06-04","4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-carbamimidamidobenzoic acid",""],["RAJ","N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE","C29 H29 F3 N6 O","FC(F)(F)c1cc(cc(c1)NC(=O)c2cc(c(cc2)C)Nc3ncccc3c4ncncc4)CCCN(C)C;CN(C)CCCc1cc(NC(=O)c2ccc(C)c(Nc3ncccc3c4ccncn4)c2)cc(c1)C(F)(F)F;Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C","InChI=1S/C29H29F3N6O/c1-19-8-9-21(16-26(19)37-27-24(7-4-11-34-27)25-10-12-33-18-35-25)28(39)36-23-15-20(6-5-13-38(2)3)14-22(17-23)29(30,31)32/h4,7-12,14-18H,5-6,13H2,1-3H3,(H,34,37)(H,36,39)","","2007-01-31","2011-06-04","N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide",""],["88B","4-diazanyl-4-oxidanylidene-butanoic acid","C4 H8 N2 O3","NNC(=O)CCC(O)=O;C(CC(=O)O)C(=O)NN","InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)","","2019-07-25","2020-08-21","4-diazanyl-4-oxidanylidene-butanoic acid","2020-08-26"],["88C","1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea","C27 H28 Cl N7 O3 S","CCN(CC)[S](=O)(=O)c1cc(Nc2nccc(n2)c3ccnc(c3)c4ccc(NC(=O)NC)cc4)ccc1Cl;CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC","InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)","","2021-10-06","2022-08-22","1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea","2021-12-01"],["RAK","4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide","C9 H10 F4 N2 O2 S2","CN[S](=O)(=O)c1c(F)c(F)c(SCCN)c(F)c1F;CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F","InChI=1S/C9H10F4N2O2S2/c1-15-19(16,17)9-6(12)4(10)8(18-3-2-14)5(11)7(9)13/h15H,2-3,14H2,1H3","","2020-09-23","2021-08-27","4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide","2021-09-01"],["88D","N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide","C21 H20 N2 O2 Se","Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3[se]ccc3;Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3[se]ccc3;Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccc[se]3","InChI=1S/C21H20N2O2Se/c1-15-8-5-6-11-17(15)22-20(24)18(14-16-9-3-2-4-10-16)23-21(25)19-12-7-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1","","2017-01-11","2017-04-07","N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide","2017-04-12"],["RAL","RALOXIFENE","C28 H27 N O4 S","O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCCC4)cc5;Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4;c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O","InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2","","1999-07-08","2011-06-04","[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone",""],["RAM","alpha-L-rhamnopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1","alpha-L-rhamnose; 6-deoxy-alpha-L-mannopyranose; L-rhamnose; rhamnose","1999-07-08","2024-09-27","6-deoxy-alpha-L-mannopyranose",""],["88E","4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine","C20 H23 N3 O2","Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3;Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4","InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3","S1RA","2021-11-29","2022-03-11","4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine","2022-03-16"],["RAN","PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER","C8 H18 N O9 P","O=P(O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O;C[CH](O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;CC(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O","InChI=1S/C8H18NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h3-13H,2H2,1H3,(H2,14,15,16)/t3?,4-,5-,6-,7-,8+/m1/s1","","1999-11-01","2011-06-04","2-deoxy-2-{[(1R)-1-hydroxyethyl]amino}-6-O-phosphono-alpha-D-glucopyranose",""],["88G","Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide","C23 H22 N2 O2","Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3;Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccccc3;Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3","InChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,27)(H,25,26)/t21-/m1/s1","","2017-01-11","2017-04-07","Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide","2017-04-12"],["88H","7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine","C23 H24 N4 O","Nc1ccc2CC=C(Cc2n1)OCc1cccc(CNCc2ccccn2)c1;Nc1ccc2CC=C(Cc2n1)OCc3cccc(CNCc4ccccn4)c3;c1ccnc(c1)CNCc2cccc(c2)COC3=CCc4ccc(nc4C3)N","InChI=1S/C23H24N4O/c24-23-10-8-19-7-9-21(13-22(19)27-23)28-16-18-5-3-4-17(12-18)14-25-15-20-6-1-2-11-26-20/h1-6,8-12,25H,7,13-16H2,(H2,24,27)","","2021-09-09","2022-09-09","7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine","2022-09-14"],["RAO","methyl 6-deoxy-alpha-L-rhamnopyranoside","C7 H14 O5","OC1C(O)C(O)C(OC1OC)C;CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC)O)O)O","InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1","1-O-METHYL-ALPHA-RHAMNOSE; methyl 6-deoxy-alpha-L-mannopyranoside; methyl 6-deoxy-alpha-L-rhamnoside; methyl\n6-deoxy-L-rhamnoside; methyl 6-deoxy-rhamnoside","2002-12-11","2020-07-17","methyl 6-deoxy-alpha-L-mannopyranoside",""],["88I","(3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one","C37 H68 O6","CCCCCCCCCC[CH](O)[CH]1CC[CH](O1)[CH]2CC[CH](O2)[CH](O)CCCCCCCCCCCC[CH]3C[CH](C)OC3=O;CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3CC(OC3=O)C)O)O","InChI=1S/C37H68O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h29-36,38-39H,3-28H2,1-2H3/t29-,30-,31+,32+,33+,34+,35+,36+/m0/s1","","2021-10-07","2022-08-22","(3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one","2022-04-06"],["RAP","RAPAMYCIN IMMUNOSUPPRESSANT DRUG","C51 H79 N O13","O=C2C(C)CC(C=CC=CC=C(C)C(OC)CC4OC(O)(C(=O)C(=O)N3C(C(=O)OC(C(C)CC1CCC(O)C(OC)C1)CC(=O)C(C=C(C)C(O)C2OC)C)CCCC3)C(CC4)C)C;CO[CH]1C[CH](CC[CH]1O)C[CH](C)[CH]2CC(=O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC;CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1","","1999-07-08","2011-06-04","(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",""],["88J","(S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol","C27 H24 Cl N5 O","c1ccc(cc1)c3c(N(C)C)nc2ccc(cc2c3Cl)C(c4ccncc4)(c5cncn5C)O;CN(C)c1nc2ccc(cc2c(Cl)c1c3ccccc3)[C](O)(c4ccncc4)c5cncn5C;Cn1cncc1C(c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O","InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3/t27-/m1/s1","","2017-01-10","2017-03-31","(S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol","2017-04-05"],["RAQ","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C25 H26 Cl N3 O4 S","O=S(=O)(CC1CCOCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)CC5CCOCC5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5CCOCC5","InChI=1S/C25H26ClN3O4S/c26-20-6-5-19-14-29(34(31,32)16-17-7-9-33-10-8-17)15-23(22(19)11-20)25(30)28-24-13-27-12-18-3-1-2-4-21(18)24/h1-6,11-13,17,23H,7-10,14-16H2,(H,28,30)/t23-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["RAR","5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine","C27 H30 N6 O3","O=C(N2N=Cc1c(cccc1)C2CCC)C=Cc3cc(cc(OC)c3OC)Cc4cnc(nc4N)N;CCC[CH]1N(N=Cc2ccccc12)C(=O)C=Cc3cc(Cc4cnc(N)nc4N)cc(OC)c3OC;CCCC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N","InChI=1S/C27H30N6O3/c1-4-7-22-21-9-6-5-8-19(21)16-31-33(22)24(34)11-10-18-12-17(14-23(35-2)25(18)36-3)13-20-15-30-27(29)32-26(20)28/h5-6,8-12,14-16,22H,4,7,13H2,1-3H3,(H4,28,29,30,32)/b11-10+/t22-/m0/s1","(S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one","2008-12-19","2020-06-17","5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine",""],["88K","(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","C30 H52 O3","CC1(C)CCC[C](C)(O1)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C;CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C","InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1","Panaxadiol","2021-11-30","2022-12-12","(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,12-diol","2022-12-07"],["88L","(4-ethylphenyl) dihydrogen phosphate","C8 H11 O4 P","CCc1ccc(O[P](O)(O)=O)cc1;CCc1ccc(cc1)OP(=O)(O)O","InChI=1S/C8H11O4P/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)","","2017-05-17","2017-07-07","(4-ethylphenyl) dihydrogen phosphate","2017-07-12"],["RAS","(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine","C12 H15 N","c1cccc2c1CCC2NC/C=C;C=CCN[CH]1CCc2ccccc12;C=CCNC1CCc2c1cccc2","InChI=1S/C12H15N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-6,12-13H,1,7-9H2/t12-/m1/s1","RASAGILINE, BOUND FORM","2004-01-15","2021-03-13","(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine",""],["88M","5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one","C22 H24 F2 N2 O5 S","c1cc(c(cc1NS(CC)(O)O)C2=CN(C(C=C2OCC)=O)C)Oc3ccc(cc3F)F;CCOC1=CC(=O)N(C)C=C1c2cc(N[S](O)(O)CC)ccc2Oc3ccc(F)cc3F;CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C","InChI=1S/C22H24F2N2O5S/c1-4-30-21-12-22(27)26(3)13-17(21)16-11-15(25-32(28,29)5-2)7-9-19(16)31-20-8-6-14(23)10-18(20)24/h6-13,25,28-29H,4-5H2,1-3H3","","2017-01-12","2017-05-05","5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one","2017-05-10"],["RAT","D-arabinaric acid","C5 H8 O7","O=C(O)C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)C(O)=O)[CH](O)C(O)=O;C(C(C(=O)O)O)(C(C(=O)O)O)O","InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t2-,3-/m0/s1","D-arabinarate","2009-05-26","2021-03-01","D-arabinaric acid",""],["88N","{4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID","C25 H27 N3 O6 S","O=C(O)C(C(=O)O)Cc1ccc(cc1)CCCC(=O)NCCC(=O)Nc2ccc3nc(sc3c2)C;Cc1sc2cc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)ccc2n1;Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O","InChI=1S/C25H27N3O6S/c1-15-27-20-10-9-18(14-21(20)35-15)28-23(30)11-12-26-22(29)4-2-3-16-5-7-17(8-6-16)13-19(24(31)32)25(33)34/h5-10,14,19H,2-4,11-13H2,1H3,(H,26,29)(H,28,30)(H,31,32)(H,33,34)","","2012-02-16","2014-09-12","{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid",""],["RAU","RASAGILINE","C12 H13 N","C#CCN[CH]1CCc2ccccc12;C#CCNC1CCc2c1cccc2","InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1","","2016-06-23","2017-05-26","(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine","2017-05-31"],["RAV","5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione","C11 H18 N2 O3","O=C1NC(=O)NC(=O)C1(C(C)CCC)CC;CCC[CH](C)C1(CC)C(=O)NC(=O)NC1=O;CCCC(C)C1(C(=O)NC(=O)NC1=O)CC","InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m0/s1","Pentobarbital","2011-04-04","2020-06-17","5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione",""],["88O","2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid","C17 H14 Cl N3 O4","[O-][N+](=O)c1ccc(NCCc2c[NH]c3cc(Cl)ccc32)c(c1)C(=O)O;OC(=O)c1cc(ccc1NCCc2c[nH]c3cc(Cl)ccc23)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCc2c[nH]c3c2ccc(c3)Cl","InChI=1S/C17H14ClN3O4/c18-11-1-3-13-10(9-20-16(13)7-11)5-6-19-15-4-2-12(21(24)25)8-14(15)17(22)23/h1-4,7-9,19-20H,5-6H2,(H,22,23)","","2021-09-13","2022-09-16","2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid","2022-09-21"],["88P","ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate","C12 H15 N O3","c21c(c(C(OCC)=O)nc1C)CCCC2=O;CCOC(=O)c1[nH]c(C)c2C(=O)CCCc12;CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2","InChI=1S/C12H15NO3/c1-3-16-12(15)11-8-5-4-6-9(14)10(8)7(2)13-11/h13H,3-6H2,1-2H3","","2017-01-12","2017-06-09","ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate","2017-06-14"],["RAW","beta,beta-caroten-4-one","C40 H54 O","O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)CC2)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C","InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+","","2009-07-09","2010-04-07","beta,beta-caroten-4-one",""],["88Q","1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol","C12 H22 O6","OCC1(O)CCC(OC1)C2OCC(O)(CO)CC2;OC[C]1(O)CC[CH](OC1)[CH]2CC[C](O)(CO)CO2;C1CC(COC1C2CCC(CO2)(CO)O)(CO)O","InChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1","","2012-02-15","2014-09-05","(2S,2'S,5S,5'S)-5,5'-bis(hydroxymethyl)octahydro-2H,2'H-2,2'-bipyran-5,5'-diol","2013-03-06"],["RAX","dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium","C13 H20 Cl2 N3 P Ru","Cc1ccccc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4;Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl","InChI=1S/C7H8.C6H12N3P.2ClH.Ru/c1-7-5-3-2-4-6-7;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h2-6H,1H3;1-6H2;2*1H;/q;;;;+1/p-1","","2015-09-18","2016-09-09","","2016-09-14"],["88R","2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID","C12 H14 O6","O=C(O)C(C(=O)O)Cc1cc(OC)c(OC)cc1;COc1ccc(CC(C(O)=O)C(O)=O)cc1OC;COc1ccc(cc1OC)CC(C(=O)O)C(=O)O","InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)","","2012-02-16","2014-09-05","(3,4-dimethoxybenzyl)propanedioic acid",""],["R","2'-DEOXY-N6-(R)STYRENE OXIDE ADENOSINE MONOPHOSPHATE","C18 H22 N5 O7 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC(c3ccccc3)CO)CC4O;OC[CH](Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4;c1ccc(cc1)C(CO)Nc2c3c(ncn2)n(cn3)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C18H22N5O7P/c24-7-12(11-4-2-1-3-5-11)22-17-16-18(20-9-19-17)23(10-21-16)15-6-13(25)14(30-15)8-29-31(26,27)28/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,22)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate)",""],["88S","N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE","C12 H14 N4 O2 S","O=C(N)NCCC(=O)Nc1ccc2nc(sc2c1)C;Cc1sc2cc(NC(=O)CCNC(N)=O)ccc2n1;Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N","InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)","","2012-02-16","2014-09-05","N~3~-carbamoyl-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide",""],["RAY","N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide","C11 H14 F N O3","C(COCCOC)(Nc1cccc(c1)F)=O;COCCOCC(=O)Nc1cccc(F)c1;COCCOCC(=O)Nc1cccc(c1)F","InChI=1S/C11H14FNO3/c1-15-5-6-16-8-11(14)13-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8H2,1H3,(H,13,14)","","2020-02-10","2020-05-29","N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide","2020-06-03"],["RAZ","(1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM","C14 H26 N","C1=C(C)CCC([NH+](C)CCC=C(/C)C)C1;C[NH+](CCC=C(C)C)[CH]1CCC(=CC1)C;CC1=CCC(CC1)[NH+](C)CCC=C(C)C","InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1","(4R)-7-AZABISABOLENE; R-AZABISABOLENE","2005-03-04","2020-06-17","(1S)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium",""],["88T","(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione","C22 H32 N6 O9","O=C1C[N]2CC[N](CC[N]3CC[N](CC2)CC(=O)OOC(C3)=NCCN4C(=O)CCC4=O)CC(=O)OO1;C1CC(=O)N(C1=O)CCN=C2CN3CCN(CCN4CCN(CC3)CC(=O)OOC(=O)C4)CC(=O)OO2","InChI=1S/C22H32N6O9/c29-18-1-2-19(30)28(18)4-3-23-17-13-24-5-7-25(14-20(31)35-34-17)9-11-27-12-10-26(8-6-24)15-21(32)36-37-22(33)16-27/h1-16H2/b23-17-","","2021-10-07","2024-09-27","(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione","2022-08-24"],["88U","N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine","C17 H17 N3 O","COc1ccc(cc1)N(C)c2nc(C)nc3ccccc23;Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC","InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3","","2017-05-18","2018-04-13","~{N}-(4-methoxyphenyl)-~{N},2-dimethyl-quinazolin-4-amine","2018-04-18"],["RB","RUBIDIUM ION","Rb","[Rb+];[Rb+];[Rb+]","InChI=1S/Rb/q+1","","1999-07-08","2011-06-04","rubidium",""],["88V","(4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID","C24 H26 N4 O6 S","O=C(O)C(C(=O)O)Cc1ccc(cc1)CCNC(=O)NCCC(=O)Nc2ccc3nc(sc3c2)C;Cc1sc2cc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)ccc2n1;Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O","InChI=1S/C24H26N4O6S/c1-14-27-19-7-6-17(13-20(19)35-14)28-21(29)9-11-26-24(34)25-10-8-15-2-4-16(5-3-15)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)","","2012-02-16","2014-09-05","(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid",""],["RB0","D-ribitol","C5 H12 O5","OC(CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO;C(C(C(C(CO)O)O)O)O","InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-","","2012-05-17","2012-05-25","D-ribitol",""],["88W","N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide","C14 H18 N4 O2 S","O=C(NCC)NCCC(=O)Nc1ccc2nc(sc2c1)C;CCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1;CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C","InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20)","3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3-BENZOTHIAZOL-6-","2012-02-16","2021-03-13","N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide",""],["RB1","3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL","C16 H19 N5 O","n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N;CC(C)(C)n1nc(Cc2cccc(O)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N","InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)12(20-21)8-10-5-4-6-11(22)7-10/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19)","","2005-11-15","2011-06-04","3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol",""],["88X","5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one","C15 H13 N3 O2","CCC1=CC(=O)N=C2NC(=CN12)C(=O)c3ccccc3;CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3","InChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19)","","2010-01-06","2012-01-05","",""],["RB2","2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL","C10 H20 Cl N O5","ClC1CC(C(NC(O)C(O)O)CC1)C(O)OC;CO[CH](O)[CH]1C[CH](Cl)CC[CH]1N[CH](O)C(O)O;COC(C1CC(CCC1NC(C(O)O)O)Cl)O","InChI=1S/C10H20ClNO5/c1-17-10(16)6-4-5(11)2-3-7(6)12-8(13)9(14)15/h5-10,12-16H,2-4H2,1H3/t5-,6?,7-,8?,10+/m0/s1","","2004-10-22","2011-06-04","(2S)-2-({(1S,2S,4S)-4-chloro-2-[(R)-hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol",""],["RB3","(1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE","C13 H22 O7","O=C(OC(C)CC(=O)OC(CC(=O)OC)C)CC(O)C;COC(=O)C[CH](C)OC(=O)C[CH](C)OC(=O)C[CH](C)O;CC(CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC)O","InChI=1S/C13H22O7/c1-8(14)5-12(16)19-10(3)7-13(17)20-9(2)6-11(15)18-4/h8-10,14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1","METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE","2005-12-27","2020-06-17","(1R)-3-{[(1R)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3R)-3-hydroxybutanoate",""],["88Y","1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one","C13 H14 N2 O","c1cccc(c1N)c2cc(c(n2)C)C(C)=O;CC(=O)c1cc([nH]c1C)c2ccccc2N;Cc1c(cc([nH]1)c2ccccc2N)C(=O)C","InChI=1S/C13H14N2O/c1-8-11(9(2)16)7-13(15-8)10-5-3-4-6-12(10)14/h3-7,15H,14H2,1-2H3","","2017-01-12","2017-06-09","1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one","2017-06-14"],["88Z","N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","C34 H34 F2 N4 O6","COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6;COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F","InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)","","2010-02-10","2011-06-04","N1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-phenyl]-N1'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide",""],["RB4","ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate","C25 H25 N3 O3 S","O=C(OCC)c2c(scc2c1ccccc1)NC(=O)CNCCc4c3ccccc3nc4;CCOC(=O)c1c(NC(=O)CNCCc2c[nH]c3ccccc23)scc1c4ccccc4;CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4","InChI=1S/C25H25N3O3S/c1-2-31-25(30)23-20(17-8-4-3-5-9-17)16-32-24(23)28-22(29)15-26-13-12-18-14-27-21-11-7-6-10-19(18)21/h3-11,14,16,26-27H,2,12-13,15H2,1H3,(H,28,29)","","2011-08-11","2012-07-27","ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate",""],["890","4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one","C17 H16 N2 O3","COc1ccc(cc1N)N(C)C2=CC(=O)Oc3ccccc23;CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3","InChI=1S/C17H16N2O3/c1-19(11-7-8-16(21-2)13(18)9-11)14-10-17(20)22-15-6-4-3-5-12(14)15/h3-10H,18H2,1-2H3","","2017-05-18","2018-04-13","4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one","2018-04-18"],["RB5","D-ribose","C5 H10 O5","O=CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1","","2010-06-21","2020-06-24","D-ribose",""],["RB6","(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr\nrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C20 H24 N8 O6 S2","O=C(O)C=1NC(SCC=1CC2=CCN(C2=O)C3CCNC3)C(C=O)NC(=O)C(=NO)/c4nc(sn4)N;Nc1snc(n1)C(=NO)C(=O)N[CH](C=O)[CH]2NC(=C(CS2)CC3=CCN([CH]4CCNC4)C3=O)C(O)=O;C1CNCC1N2CC=C(C2=O)CC3=C(NC(SC3)C(C=O)NC(=O)C(=NO)c4nc(sn4)N)C(=O)O","InChI=1S/C20H24N8O6S2/c21-20-25-15(27-36-20)14(26-34)16(30)23-12(7-29)17-24-13(19(32)33)10(8-35-17)5-9-2-4-28(18(9)31)11-1-3-22-6-11/h2,7,11-12,17,22,24,34H,1,3-6,8H2,(H,23,30)(H,32,33)(H2,21,25,27)/b26-14-/t11-,12-,17-/m1/s1","BAL 9141, bound form; ceftobiprole, bound form","2012-04-20","2024-09-27","(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["891","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C18 H18 F2 N4 O4 S","O=S(=O)(C)CC(Nc1ncc3c(n1)N(C(=O)C(Oc2ccc(F)cc2F)=C3)C)C;C[CH](C[S](C)(=O)=O)Nc1ncc2C=C(Oc3ccc(F)cc3F)C(=O)N(C)c2n1;CC(CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C","InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1","","2008-12-29","2011-06-04","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one",""],["RB7","N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine","C11 H16 Br N O2 S","c1cc(Br)c(cc1CNCCS(C)(=O)=O)C;Cc1cc(CNCC[S](C)(=O)=O)ccc1Br;Cc1cc(ccc1Br)CNCCS(=O)(=O)C","InChI=1S/C11H16BrNO2S/c1-9-7-10(3-4-11(9)12)8-13-5-6-16(2,14)15/h3-4,7,13H,5-6,8H2,1-2H3","","2020-02-10","2020-05-29","N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine","2020-06-03"],["892","3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE","C23 H18 Br2 N2 O7 S2","O=S(=O)(N)c1ccc(cc1)NS(=O)(=O)c4ccc2c(oc(c2C(=O)c3cc(Br)c(O)c(Br)c3)CC)c4;CCc1oc2cc(ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3)[S](=O)(=O)Nc4ccc(cc4)[S](N)(=O)=O;CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br","InChI=1S/C23H18Br2N2O7S2/c1-2-19-21(22(28)12-9-17(24)23(29)18(25)10-12)16-8-7-15(11-20(16)34-19)36(32,33)27-13-3-5-14(6-4-13)35(26,30)31/h3-11,27,29H,2H2,1H3,(H2,26,30,31)","","2004-04-29","2011-06-04","3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N-(4-sulfamoylphenyl)-1-benzofuran-6-sulfonamide",""],["893","5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE","C18 H19 N3 O4","O=C(c1nc(OCC)c(C#N)cc1)NCc2cc(OC)ccc2OC;CCOc1nc(ccc1C#N)C(=O)NCc2cc(OC)ccc2OC;CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N","InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22)","5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPICOLINAMIDE; 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE","2006-06-09","2020-06-17","5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide",""],["RB8","6-deoxy-6-sulfo-D-fructose","C6 H12 O8 S","OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)S(=O)(=O)O","InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1","[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid","2020-09-23","2021-04-09","[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid","2021-04-14"],["894","2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE","C17 H24 Cl N3 O5 S2","Clc1sc(cc1)CCS(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3;C[CH](N1CC[CH](N[S](=O)(=O)CCc2sc(Cl)cc2)C1=O)C(=O)N3CCOCC3;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)CCc3ccc(s3)Cl","InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1","","2007-02-20","2011-06-04","2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide",""],["RB9","N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide","C30 H28 N4 O2 S","O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCCc5c4ccccc4nc5;O=C(CNCCc1c[nH]c2ccccc12)Nc3scc(c4ccccc4)c3C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5","InChI=1S/C30H28N4O2S/c35-27(19-31-16-15-23-18-32-26-14-8-7-13-24(23)26)34-30-28(25(20-37-30)22-11-5-2-6-12-22)29(36)33-17-21-9-3-1-4-10-21/h1-14,18,20,31-32H,15-17,19H2,(H,33,36)(H,34,35)","","2010-12-16","2011-12-02","N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide",""],["895","2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE","C17 H22 Cl N3 O5 S2","Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(C(C(=O)N1CCOCC1)C)CC2)cc3;C[CH](N1CC[CH](N[S](=O)(=O)C=Cc2sc(Cl)cc2)C1=O)C(=O)N3CCOCC3;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl","InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1","","2007-03-27","2011-06-04","(E)-2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide",""],["RBB","[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","C18 H20 N4 O3","OC(=O)CC1CN(CC(C)(C)O1)c1ncnc2[NH]c3ccccc3c21;CC1(C)CN(C[CH](CC(O)=O)O1)c2ncnc3[nH]c4ccccc4c23;CC1(CN(CC(O1)CC(=O)O)c2c3c4ccccc4[nH]c3ncn2)C","InChI=1S/C18H20N4O3/c1-18(2)9-22(8-11(25-18)7-14(23)24)17-15-12-5-3-4-6-13(12)21-16(15)19-10-20-17/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)(H,19,20,21)/t11-/m1/s1","","2022-06-22","2022-07-01","[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","2022-07-06"],["RBC","4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE","C32 H32 Cl N O4","Clc1ccccc1C(=O)OCc2ccc(cc2)C5C(CNCC5OCc4cc3ccccc3cc4)COC;COC[CH]1CNC[CH](OCc2ccc3ccccc3c2)[CH]1c4ccc(COC(=O)c5ccccc5Cl)cc4;COCC1CNCC(C1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4","InChI=1S/C32H32ClNO4/c1-36-21-27-17-34-18-30(37-20-23-12-13-24-6-2-3-7-26(24)16-23)31(27)25-14-10-22(11-15-25)19-38-32(35)28-8-4-5-9-29(28)33/h2-16,27,30-31,34H,17-21H2,1H3/t27-,30-,31-/m0/s1","","2003-06-25","2011-06-04","4-[(3S,4R,5R)-3-(methoxymethyl)-5-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate",""],["896","N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE","C21 H29 N3 O2","O=C(N(C(C)C)CC)c2cc(OCC(Nc1ccncc1)C)cc(c2)C;CCN(C(C)C)C(=O)c1cc(C)cc(OC[CH](C)Nc2ccncc2)c1;CCN(C(C)C)C(=O)c1cc(cc(c1)OCC(C)Nc2ccncc2)C","InChI=1S/C21H29N3O2/c1-6-24(15(2)3)21(25)18-11-16(4)12-20(13-18)26-14-17(5)23-19-7-9-22-10-8-19/h7-13,15,17H,6,14H2,1-5H3,(H,22,23)/t17-/m0/s1","","2007-03-03","2011-06-04","N-ethyl-3-methyl-N-(1-methylethyl)-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide",""],["897","N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE","C26 H38 N4 O3","O=C(NC(C)(C)C)CCN(C(=O)c2cc(OCC(Nc1ccncc1)C)cc(c2)C)C(C)C;C[CH](COc1cc(C)cc(c1)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C)Nc2ccncc2;Cc1cc(cc(c1)OCC(C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C","InChI=1S/C26H38N4O3/c1-18(2)30(13-10-24(31)29-26(5,6)7)25(32)21-14-19(3)15-23(16-21)33-17-20(4)28-22-8-11-27-12-9-22/h8-9,11-12,14-16,18,20H,10,13,17H2,1-7H3,(H,27,28)(H,29,31)/t20-/m0/s1","","2007-03-03","2011-06-04","N-[3-(tert-butylamino)-3-oxopropyl]-3-methyl-N-(1-methylethyl)-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide",""],["RBD","(R,R)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate","C14 H22 N5 O8 P","n3c1c(ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(O)(O)O;O[CH]1C[CH](O[CH]1CO[PH](O)(O)O)n2cnc3c(ncnc23)N4C[CH](O)[CH](O)C4;c1nc2c(c(n1)N3CC(C(C3)O)O)ncn2C4CC(C(O4)COP(O)(O)O)O","InChI=1S/C14H22N5O8P/c20-7-1-11(27-10(7)4-26-28(23,24)25)19-6-17-12-13(15-5-16-14(12)19)18-2-8(21)9(22)3-18/h5-11,20-25,28H,1-4H2/t7-,8+,9+,10+,11+/m0/s1","","2014-01-07","2014-05-23","(3R,4R)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol (non-preferred name)","2014-05-28"],["898","(E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE","C20 H23 Cl F N3 O3 S2","Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(cc1F)C(N(C)C)C)CC2)cc3;C[CH](N(C)C)c1ccc(N2CC[CH](N[S](=O)(=O)C=Cc3sc(Cl)cc3)C2=O)c(F)c1;CC(c1ccc(c(c1)F)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl)N(C)C","InChI=1S/C20H23ClFN3O3S2/c1-13(24(2)3)14-4-6-18(16(22)12-14)25-10-8-17(20(25)26)23-30(27,28)11-9-15-5-7-19(21)29-15/h4-7,9,11-13,17,23H,8,10H2,1-3H3/b11-9+/t13-,17-/m0/s1","","2009-11-16","2011-06-04","(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-{4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide",""],["RBE","3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID","C15 H17 N O4","[O-]C(=O)C3C1[NH2+]C(CC1)CC3OC(=O)c2ccccc2;[O-]C(=O)[CH]1[CH]2CC[CH](C[CH]1OC(=O)c3ccccc3)[NH2+]2;c1ccc(cc1)C(=O)OC2CC3CCC(C2C(=O)[O-])[NH2+]3","InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1","NOR-BENZOYLECGONINE","2003-11-20","2020-06-17","(1R,2R,3S,5S)-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane-2-carboxylate",""],["RBF","RIBOFLAVIN","C17 H20 N4 O6","N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)CO;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O","InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1","RIBOFLAVINE; VITAMIN B2","1999-07-08","2026-04-24","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol",""],["89A","2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide","C14 H23 N3 O7","C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1NC(C)=O)C(N)=O;CC(C(=O)N)NC(=O)C(C)OC1C(C2OCC(C1O)O2)NC(=O)C","InChI=1S/C14H23N3O7/c1-5(12(15)20)16-13(21)6(2)23-11-9(17-7(3)18)14-22-4-8(24-14)10(11)19/h5-6,8-11,14,19H,4H2,1-3H3,(H2,15,20)(H,16,21)(H,17,18)/t5-,6+,8+,9+,10+,11+,14+/m0/s1","","2016-04-30","2017-05-12","2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide","2017-05-17"],["RBG","(2R)-N-tert-butylpiperidine-2-carboxamide","C10 H20 N2 O","C(C1CCCCN1)(=O)NC(C)(C)C;CC(C)(C)NC(=O)[CH]1CCCCN1;CC(C)(C)NC(=O)C1CCCCN1","InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1","","2020-02-10","2020-05-29","(2R)-N-tert-butylpiperidine-2-carboxamide","2020-06-03"],["89B","N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","C34 H35 F N4 O6","O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)C(C(CC2CCCNC2=O)NC(=O)C(Cc3ccc(cc3)F)NC(=O)c4cc5ccccc5o4)O","InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26+,27-,30-/m0/s1","","2021-11-30","2024-09-27","~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","2023-05-31"],["RBH","~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide","C14 H27 N4 O9","OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)COCCOCCOCCN=[N+]=N;C(COCCOCCOCC(=O)NC1C(OC(C(C1O)O)O)CO)N=[N+]=N","InChI=1S/C14H26N4O9/c15-18-16-1-2-24-3-4-25-5-6-26-8-10(20)17-11-9(7-19)27-14(23)13(22)12(11)21/h9,11-15,19,21-23H,1-8H2/p+1/t9-,11-,12+,13-,14-/m1/s1","","2022-11-28","2024-01-14","azanylidene-[2-[2-[2-[2-[[(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethylimino]azanium","2023-11-29"],["89C","4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one","C17 H15 N O4","COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23;CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3","InChI=1S/C17H15NO4/c1-18(11-7-8-16(21-2)14(19)9-11)13-10-17(20)22-15-6-4-3-5-12(13)15/h3-10,19H,1-2H3","","2017-05-18","2018-06-15","4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one","2018-06-20"],["89D","17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one","C24 H26 F2 N2 O5 S","c1c3c(c(cc1F)F)Oc4c(C2=CN(C(C=C2OCCCC3)=O)C)cc(cc4)NS(CC)(O)O;CC[S](O)(O)Nc1ccc2Oc3c(F)cc(F)cc3CCCCOC4=CC(=O)N(C)C=C4c2c1;CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O","InChI=1S/C24H26F2N2O5S/c1-3-34(30,31)27-17-7-8-21-18(12-17)19-14-28(2)23(29)13-22(19)32-9-5-4-6-15-10-16(25)11-20(26)24(15)33-21/h7-8,10-14,27,30-31H,3-6,9H2,1-2H3","","2017-01-12","2017-05-05","17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one","2017-05-10"],["RBJ","4-[(methylamino)methyl]phenol","C8 H11 N O","c1c(ccc(c1)CNC)O;CNCc1ccc(O)cc1;CNCc1ccc(cc1)O","InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-5,9-10H,6H2,1H3","","2020-02-10","2020-05-29","4-[(methylamino)methyl]phenol","2020-06-03"],["RBL","D-ribulose","C5 H10 O5","O=C(CO)C(O)C(O)CO;OC[CH](O)[CH](O)C(=O)CO;C(C(C(C(=O)CO)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1","","2009-01-26","2024-09-27","D-ribulose","2013-11-27"],["89E","3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole","C15 H11 N3","c1cc2c(Cc3c2n[NH]c3c2ccncc2)cc1;C1c2ccccc2c3n[nH]c(c13)c4ccncc4;c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4","InChI=1S/C15H11N3/c1-2-4-12-11(3-1)9-13-14(17-18-15(12)13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)","","2021-09-13","2021-10-22","(8aP)-3-(pyridin-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole","2021-09-22"],["89F","1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine","C20 H24 N2 S2","CSc1ccc2Sc3ccccc3C[CH](N4CCN(C)CC4)c2c1;CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)SC","InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1","Methiothepin; Metitepine","2017-05-19","2020-05-26","1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine","2018-02-07"],["RBM","(4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H22 Cl N5 O3 S","N#CCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CN(CCC#N)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C23H22ClN5O3S/c1-28(10-4-9-25)33(31,32)29-14-17-7-8-18(24)11-20(17)21(15-29)23(30)27-22-13-26-12-16-5-2-3-6-19(16)22/h2-3,5-8,11-13,21H,4,10,14-15H2,1H3,(H,27,30)/t21-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["RBN","Benzeneruthenium(II) chloride","C6 H6 Cl2 Ru","Cl[Ru]65432(Cl)C=1C6=C5C4=C3C=12;Cl[Ru]|1|2|3|4|5(Cl)|C6=C|1C|2=C|3C|4=C|56;[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl","InChI=1S/C6H6.2ClH.Ru/c1-2-4-6-5-3-1;;;/h1-6H;2*1H;/q;;;+2/p-2","","2013-02-19","2014-02-14","(eta~6~-benzene)(dichloro)ruthenium","2014-02-19"],["89G","5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one","C18 H16 N2 O3","c1cc(ccc1)Oc2c(cccc2)C=3C(=CC(N(C)N=3)=O)OC;COC1=CC(=O)N(C)N=C1c2ccccc2Oc3ccccc3;CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC","InChI=1S/C18H16N2O3/c1-20-17(21)12-16(22-2)18(19-20)14-10-6-7-11-15(14)23-13-8-4-3-5-9-13/h3-12H,1-2H3","","2017-01-12","2017-05-05","5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one","2017-05-10"],["89H","6-(cyclopropylmethoxy)phthalazine-1,4-dione","C12 H10 N2 O3","O=C1N=NC(=O)c2cc(OCC3CC3)ccc12;c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O","InChI=1S/C12H10N2O3/c15-11-9-4-3-8(17-6-7-1-2-7)5-10(9)12(16)14-13-11/h3-5,7H,1-2,6H2","","2021-10-07","2022-08-22","6-(cyclopropylmethoxy)phthalazine-1,4-dione","2022-05-11"],["RBO","[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","C16 H16 N4 O3","O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12;OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]c4ccccc4c23;c1ccc2c(c1)c3c([nH]2)ncnc3N4CCOC(C4)CC(=O)O","InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m1/s1","","2022-06-22","2022-07-01","[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","2022-07-06"],["89I","5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE","C23 H24 N6 O","n3cc(C#Cc2ncnc(N)c2c1ccc(N(C)C)cc1)ccc3N4CCOCC4;CN(C)c1ccc(cc1)c2c(N)ncnc2C#Cc3ccc(nc3)N4CCOCC4;CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4","InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)","","2006-08-30","2011-06-04","5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine",""],["RBP","(3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHTHYLMETHOXY)PIPERIDINE","C22 H22 Br N O","Brc1ccc(cc1)C4CCNCC4OCc3cc2ccccc2cc3;Brc1ccc(cc1)[CH]2CCNC[CH]2OCc3ccc4ccccc4c3;c1ccc2cc(ccc2c1)COC3CNCCC3c4ccc(cc4)Br","InChI=1S/C22H22BrNO/c23-20-9-7-18(8-10-20)21-11-12-24-14-22(21)25-15-16-5-6-17-3-1-2-4-19(17)13-16/h1-10,13,21-22,24H,11-12,14-15H2/t21-,22+/m1/s1","TRANS-(3R,4R)-2-NAPHTYL-METHOXY-4-(4-BROMOPHENYL)-PIPERIDINE","2003-06-25","2021-03-13","(3R,4R)-4-(4-bromophenyl)-3-(naphthalen-2-ylmethoxy)piperidine",""],["RBQ","(8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","C17 H25 F3 N4 O3","FC(F)(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CCOC(C)C;CC(C)OCCN1[CH](CCN2C(=O)C=C(N=C12)N3CCOCC3)C(F)(F)F;CC(C)OCCN1C(CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F","InChI=1S/C17H25F3N4O3/c1-12(2)27-10-7-23-13(17(18,19)20)3-4-24-15(25)11-14(21-16(23)24)22-5-8-26-9-6-22/h11-13H,3-10H2,1-2H3/t13-/m0/s1","","2014-08-12","2014-11-21","(8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","2014-11-26"],["89J","2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one","C12 H13 N3 O","c1ccccc1C=2C(=CC(N(C)N=2)=O)NC;CNC1=CC(=O)N(C)N=C1c2ccccc2;CNC1=CC(=O)N(N=C1c2ccccc2)C","InChI=1S/C12H13N3O/c1-13-10-8-11(16)15(2)14-12(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3","","2017-01-12","2017-06-23","2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one","2017-06-28"],["89K","N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","C34 H42 N4 O6","O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)C(C(CC2CCCNC2=O)NC(=O)C(CC3CCCCC3)NC(=O)c4cc5ccccc5o4)O","InChI=1S/C34H42N4O6/c39-30(34(43)36-21-23-12-5-2-6-13-23)26(19-25-15-9-17-35-31(25)40)37-32(41)27(18-22-10-3-1-4-11-22)38-33(42)29-20-24-14-7-8-16-28(24)44-29/h2,5-8,12-14,16,20,22,25-27,30,39H,1,3-4,9-11,15,17-19,21H2,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t25-,26-,27-,30-/m0/s1","","2021-11-30","2024-09-27","~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","2023-05-31"],["RBR","rocuronium","C32 H53 N2 O4","C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)C3CCC2(C)C1OC(C)=O)N1CCOCC1;CC(=O)O[CH]1[CH](C[CH]2[CH]3CC[CH]4C[CH](O)[CH](C[C]4(C)[CH]3CC[C]12C)N5CCOCC5)[N+]6(CCCC6)CC=C;CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C","InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1","","2022-10-17","2023-06-02","17alpha-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16alpha-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5beta,8alpha,14beta-androstane","2023-06-07"],["89L","(E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid","C26 H27 N O5","CN(Cc1ccccc1OCC=C(C)CCC(O)=O)C(=O)c2ccc(cc2)c3occc3;CC(=CCOc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)CCC(=O)O","InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+","","2017-05-22","2018-05-18","(~{E})-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid","2018-05-23"],["RBS","N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE","C17 H14 N4 O","O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3;C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1;C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3","InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)","","2006-08-02","2024-09-27","N-[4-(phenylamino)quinazolin-6-yl]prop-2-enamide",""],["RBT","RIFABUTIN","C46 H62 N4 O11","O=C4c5c2C1=NC6(NC1=C3C(=O)c2c(O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C)CCN(CC(C)C)CC6;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC6)CC(C)C)N=C5c4c3C2=O)NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1","(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20- TETRAHYDROXY-1'-ISOBUTYL-14-METHOXY-7,9,15,17,19,21,25-\nHEPTAMETHYLSPIRO(9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-2H- FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)-\n5,10,26(3H,9H)-TRIONE,16-ACETATE; ANSAMYCIN","2005-07-19","2020-06-17","(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate",""],["89M","Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide","C35 H48 N4 O3","CCCCCCCCNC(=O)C(NC(=O)C1CCC(CC1)CN)Cc2ccc(cc2)OCc4nc3ccccc3cc4;CCCCCCCCNC(=O)[CH](Cc1ccc(OCc2ccc3ccccc3n2)cc1)NC(=O)[CH]4CC[CH](CN)CC4;CCCCCCCCNC(=O)C(Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN","InChI=1S/C35H48N4O3/c1-2-3-4-5-6-9-22-37-35(41)33(39-34(40)29-16-12-27(24-36)13-17-29)23-26-14-20-31(21-15-26)42-25-30-19-18-28-10-7-8-11-32(28)38-30/h7-8,10-11,14-15,18-21,27,29,33H,2-6,9,12-13,16-17,22-25,36H2,1H3,(H,37,41)(H,39,40)/t27-,29-,33-/m0/s1","","2017-01-12","2017-05-26","Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide","2017-05-31"],["89N","(2E)-but-2-ene-1,4-diol","C4 H8 O2","OCC=CCO;OCC=CCO;C(C=CCO)O","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+","","2021-09-14","2024-09-27","(2E)-but-2-ene-1,4-diol","2021-11-03"],["RBU","RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE","C23 H20 N6 Ru","[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5;c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5","InChI=1S/2C10H8N2.C3H4N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H,(H,4,5);","","1999-07-08","2023-09-23","1~{H}-imidazol-3-yl-bis(2-pyridin-2-ylpyridin-1-yl)ruthenium",""],["89O","(5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","C21 H20 O8","COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24;COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)O)OCO4","InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1","","2017-05-22","2017-09-22","(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","2017-09-27"],["RBV","1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide","C8 H12 N4 O5","O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N;NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O;c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N","InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1","Ribavirin","2011-06-25","2020-06-17","1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide",""],["RBW","3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C20 H20 Cl N O4 S","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(=O)=O)c(Cl)c3;CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O","InChI=1S/C20H20ClNO4S/c1-11(2)14-5-4-6-15-17(19(20(23)24)22-18(14)15)12-7-8-13(16(21)9-12)10-27(3,25)26/h4-9,11,22H,10H2,1-3H3,(H,23,24)","","2020-09-23","2021-10-01","3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2021-10-06"],["89P","6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid","C29 H22 Cl2 N2 O4","O=C(O)c5nc1c(cc(cc1)c4ccc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)cc4)cc5;CC(C)c1onc(c1COc2ccc(cc2)c3ccc4nc(ccc4c3)C(O)=O)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O","InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)","","2010-10-18","2011-08-26","6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid",""],["RBX","(4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H23 Cl N4 O3 S","CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CCN(C)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CCN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C22H23ClN4O3S/c1-3-26(2)31(29,30)27-13-16-8-9-17(23)10-19(16)20(14-27)22(28)25-21-12-24-11-15-6-4-5-7-18(15)21/h4-12,20H,3,13-14H2,1-2H3,(H,25,28)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["89Q","4-(cyclopropylmethoxy)benzamide","C11 H13 N O2","NC(=O)c1ccc(OCC2CC2)cc1;c1cc(ccc1C(=O)N)OCC2CC2","InChI=1S/C11H13NO2/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,12,13)","","2021-10-07","2022-08-22","4-(cyclopropylmethoxy)benzamide","2022-05-11"],["89R","fluorinated heme","C34 H33 F3 Fe N4 O4","FC(F)(F)C1=C(CC)C=2C=C3C(C)=C(CCC(=O)O)C4=CC=5C(CCC(=O)O)=C(C)C6=Cc7c(C)c(CC)c8C=C1N=2[Fe](n78)(N6=5)N34;CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=C6C(F)(F)F)CC)C(=C3C)CCC(O)=O;CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C","InChI=1S/C34H35F3N4O4.Fe/c1-6-19-16(3)23-12-24-17(4)21(8-10-31(42)43)28(39-24)14-29-22(9-11-32(44)45)18(5)25(40-29)13-27-20(7-2)33(34(35,36)37)30(41-27)15-26(19)38-23;/h12-15H,6-11H2,1-5H3,(H4,38,39,40,41,42,43,44,45);/q;+2/p-2/b23-12-,24-12-,25-13-,26-15-,27-13-,28-14-,29-14-,30-15-;","","2017-05-23","2025-06-11","(SP-4-2)-[(21R,23S)-2,18-bis(2-carboxyethyl)-7,12-diethyl-3,13,17-trimethyl-8-(trifluoromethyl)porphine-21,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]iron","2017-08-16"],["RBY","METHYLENE ADP-BETA-XYLOSE","C16 H25 N5 O13 P2","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC4OC(O)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)O)N","InChI=1S/C16H25N5O13P2/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(33-15)1-31-35(27,28)5-36(29,30)32-2-7-10(23)12(25)16(26)34-7/h3-4,6-7,9-12,15-16,22-26H,1-2,5H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9-,10+,11-,12-,15-,16-/m1/s1","","2007-07-27","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (S,R)-phosphonate] (non-preferred name)",""],["89S","Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide","C31 H46 N4 O3","CCCCCCCCNC(=O)C(NC(=O)C1CCC(CN)CC1)Cc2ccc(cc2)OCc3ccncc3;CCCCCCCCNC(=O)[CH](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[CH]3CC[CH](CN)CC3;CCCCCCCCNC(=O)C(Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN","InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m0/s1","","2017-01-12","2017-05-26","Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide","2017-05-31"],["RBZ","ALPHA-RIBAZOLE-5'-PHOSPHATE","C14 H19 N2 O7 P","O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O;Cc1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2cc1C;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1","","2002-03-19","2011-06-04","5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole",""],["RC0","5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine","C15 H13 Cl2 N5","Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc(Cl)cc3)n2;Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C","InChI=1S/C15H13Cl2N5/c1-9-7-10(2)22(21-9)15-18-8-13(17)14(20-15)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,19,20)","","2017-01-18","2017-09-29","5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine","2017-10-04"],["89T","N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine","C17 H24 N8 O3 S","COC[CH](C)Nc1ccc(N[S](=O)(=O)N(C)C)c(Nc2ccc3nn[nH]c3c2)n1;CC(COC)Nc1ccc(c(n1)Nc2ccc3c(c2)[nH]nn3)NS(=O)(=O)N(C)C","InChI=1S/C17H24N8O3S/c1-11(10-28-4)18-16-8-7-14(23-29(26,27)25(2)3)17(20-16)19-12-5-6-13-15(9-12)22-24-21-13/h5-9,11,23H,10H2,1-4H3,(H2,18,19,20)(H,21,22,24)/t11-/m0/s1","","2021-12-01","2022-09-02","6-[[3-(dimethylsulfamoylamino)-6-[[(2~{S})-1-methoxypropan-2-yl]amino]pyridin-2-yl]amino]-1~{H}-benzotriazole","2022-09-07"],["RC1","[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID","C10 H16 O13 P2","O=C(O)C(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)(P(=O)(O)O)C;C[C](O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O)(C(O)=O)[P](O)(O)=O;CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O","InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10-/m1/s1","","2004-08-26","2011-06-04","(3R,4S,5R)-5-[(1R)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["89U","10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one","C22 H16 O3","COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4ccccc24;COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4","InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3","","2017-05-23","2017-11-17","10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one","2017-11-22"],["RC2","N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide","C17 H19 N7 O2 S","O=C(Nc4cccc(C1=NN2C(=O)C=C(N=C2S1)N3CCNCC3)c4)CN;NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4;c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4","InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)","","2011-08-30","2012-03-23","N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide",""],["89V","(2S)-2,3-dihydroxy-3-methylbutanoic acid","C5 H10 O4","OC(=O)C(O)C(C)(C)O;CC(C)(O)[CH](O)C(O)=O;CC(C)(C(C(=O)O)O)O","InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m1/s1","","2017-01-13","2017-01-26","(2S)-2,3-dihydroxy-3-methylbutanoic acid","2017-02-01"],["RC3","[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","C16 H16 N4 O3","O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12;OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]c4ccccc4c23;c1ccc2c(c1)c3c([nH]2)ncnc3N4CCOC(C4)CC(=O)O","InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m0/s1","","2022-06-22","2022-07-01","[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid","2022-07-06"],["89W","N-[(3R)-piperidin-3-yl]benzamide","C12 H16 N2 O","O=C(NC1CCCNC1)c1ccccc1;O=C(N[CH]1CCCNC1)c2ccccc2;c1ccc(cc1)C(=O)NC2CCCNC2","InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1","","2021-09-14","2021-09-17","N-[(3R)-piperidin-3-yl]benzamide","2021-09-22"],["89X","(2S)-4-methyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide","C22 H28 N4 O4","CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N[CH](C(=O)NO)c2ccccc2;CC(C)CC(C(=O)NC(c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2","InChI=1S/C22H28N4O4/c1-15(2)13-18(24-22(29)23-14-16-9-5-3-6-10-16)20(27)25-19(21(28)26-30)17-11-7-4-8-12-17/h3-12,15,18-19,30H,13-14H2,1-2H3,(H,25,27)(H,26,28)(H2,23,24,29)/t18-,19+/m0/s1","","2017-05-24","2018-06-15","(2~{S})-4-methyl-~{N}-[(1~{R})-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide","2018-06-20"],["RC4","1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea","C16 H18 B N2 O5","COc1ccc(C)cc1NC(=O)Nc2ccc3CO[B-](O)(O)c3c2;[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O","InChI=1S/C16H18BN2O5/c1-10-3-6-15(23-2)14(7-10)19-16(20)18-12-5-4-11-9-24-17(21,22)13(11)8-12/h3-8,21-22H,9H2,1-2H3,(H2,18,19,20)/q-1","","2016-08-01","2016-10-14","1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea","2016-10-19"],["RC5","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid","C14 H22 N O5 P","O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C;CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(O)=O;CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O","InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1","","2015-02-12","2015-03-27","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid","2015-04-01"],["89Y","(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one","C5 H8 O5","OC1C(=O)OCC1(O)CO;OC[C]1(O)COC(=O)[CH]1O;C1C(C(C(=O)O1)O)(CO)O","InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1","","2017-01-13","2020-07-17","(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one","2017-02-01"],["RC6","1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone","C10 H10 Cl N O","CC(=O)N1CCc2c(Cl)cccc12;CC(=O)N1CCc2c1cccc2Cl","InChI=1S/C10H10ClNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3","","2022-11-28","2022-12-09","1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone","2022-12-14"],["89Z","6-(cyclopentylmethoxy)phthalazine-1,4-dione","C14 H14 N2 O3","O=C1N=NC(=O)c2cc(OCC3CCCC3)ccc12;c1cc2c(cc1OCC3CCCC3)C(=O)N=NC2=O","InChI=1S/C14H14N2O3/c17-13-11-6-5-10(7-12(11)14(18)16-15-13)19-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2","","2021-10-07","2022-08-22","6-(cyclopentylmethoxy)phthalazine-1,4-dione","2022-05-11"],["8A0","(4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","C25 H23 F3 N4 O","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1ccccc1c2cc(cc(c2)C(F)(F)F)C3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C","InChI=1S/C25H23F3N4O/c1-13(2)24(20(12-29)22(30)33-23-21(24)15(4)31-32-23)17-9-16(10-18(11-17)25(26,27)28)19-8-6-5-7-14(19)3/h5-11,13H,30H2,1-4H3,(H,31,32)/t24-/m0/s1","(s)-6-amino-4-isopropyl-3 methyl-4-(2'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","2017-05-25","2021-03-13","(4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2017-11-29"],["RC7","2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C17 H14 N4 O4","OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3;c1cc(ccc1C=C2C(=O)N(C(=N2)C=Cc3c[nH]cn3)CC(=O)O)O","InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7-","RED CHROMOPHORE (HIS-TYR-GLY); {(2R)-4-(4-hydroxybenzyl)-2-[2-(1H-imidazol-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid","2007-03-23","2024-09-27","2-[(4~{Z})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid",""],["8A1","(2S)-2,3-dihydroxy-2-methylpropanoic acid","C4 H8 O4","O=C(C(C)(CO)O)O;C[C](O)(CO)C(O)=O;CC(CO)(C(=O)O)O","InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)/t4-/m0/s1","","2017-01-13","2017-01-26","(2S)-2,3-dihydroxy-2-methylpropanoic acid","2017-02-01"],["RC8","(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol","C24 H29 N7 O","n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc4ccc(c3ncccc3)cc4;CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4","InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1","","2008-06-10","2011-06-04","(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol",""],["RC9","(4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C25 H23 Cl N4 O3 S","N#CC1(CCC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)CC5(CCC5)C#N;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CCC5)C#N","InChI=1S/C25H23ClN4O3S/c26-19-7-6-18-13-30(34(32,33)16-25(15-27)8-3-9-25)14-22(21(18)10-19)24(31)29-23-12-28-11-17-4-1-2-5-20(17)23/h1-2,4-7,10-12,22H,3,8-9,13-14,16H2,(H,29,31)/t22-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["8A2","3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal","C9 H7 Br F2 O","Fc1cc(CCC=O)c(F)cc1Br;c1c(c(cc(c1F)Br)F)CCC=O","InChI=1S/C9H7BrF2O/c10-7-5-8(11)6(2-1-3-13)4-9(7)12/h3-5H,1-2H2","","2021-12-01","2022-09-09","3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal","2022-09-14"],["RCA","6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE","C12 H16 N4 O5","O=C1NC(CO)C(C(=O)N1)(C)CC2=C(C(=O)NC(=O)N2)C;CC1=C(C[C]2(C)[CH](CO)NC(=O)NC2=O)NC(=O)NC1=O;CC1=C(NC(=O)NC1=O)CC2(C(NC(=O)NC2=O)CO)C","InChI=1S/C12H16N4O5/c1-5-6(13-10(20)15-8(5)18)3-12(2)7(4-17)14-11(21)16-9(12)19/h7,17H,3-4H2,1-2H3,(H2,13,15,18,20)(H2,14,16,19,21)/t7-,12+/m0/s1","HYDROXYMETHYL-HYDROTHYMYL-THYMINE; 5-[THYMIN-6-YL]METHYL-6-HYDRO-6-HYDROXYMETHYL-THYMINE","2000-05-24","2020-06-17","6-{[(4R,5R)-4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione",""],["8A3","4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide","C27 H25 F6 N5 O3 S","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)CC(F)(F)F)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N","InChI=1S/C27H25F6N5O3S/c1-14(2)26(21(12-34)23(35)41-24-22(26)15(3)36-37-24)18-9-17(10-19(11-18)27(31,32)33)16-5-7-20(8-6-16)42(39,40)38(4)13-25(28,29)30/h5-11,14H,13,35H2,1-4H3,(H,36,37)/t26-/m0/s1","(s)-3'-(6-amino-5-cyano-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-sulfonamide","2017-05-25","2021-03-13","4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide","2017-11-29"],["RCB","4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside","C24 H35 N O18","[O-][N+](=O)c4ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)cc4;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)Oc4ccc(cc4)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O","InChI=1S/C24H35NO18/c26-5-10-13(29)14(30)17(33)23(39-10)42-21-12(7-28)41-24(19(35)16(21)32)43-20-11(6-27)40-22(18(34)15(20)31)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1","p-nitrophenyl beta-D-cellotrioside","2009-10-23","2021-03-01","4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside",""],["8A4","(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol","C31 H25 Cl2 N5 O2","c1cc4c(cc1C(c2ccc(cc2)Cl)(c3cncn3C)O)c(c(c(OC)n4)Cc5ccc(cc5)n6cccn6)Cl;COc1nc2ccc(cc2c(Cl)c1Cc3ccc(cc3)n4cccn4)[C](O)(c5ccc(Cl)cc5)c6cncn6C;Cn1cncc1C(c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O","InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3/t31-/m1/s1","","2017-01-16","2017-03-31","(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol","2017-04-05"],["8A5","4-[(3,4-dimethoxyphenyl)methyl]morpholine","C13 H19 N O3","COc1ccc(cc1OC)CN1CCOCC1;COc1ccc(CN2CCOCC2)cc1OC;COc1ccc(cc1OC)CN2CCOCC2","InChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3","","2021-09-14","2021-09-17","4-[(3,4-dimethoxyphenyl)methyl]morpholine","2021-09-22"],["RCC","3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid","C35 H38 N4 O7","O=C5C(C=C)=C(C(=CC4=N/C(=C2c1nc(c(c1C(=O)C2C(=O)OC)C)Cc3c(c(c(C=O)n3)C)CC)C(CCC(=O)O)C4C)N5)C;CCc1c(C)c([nH]c1Cc2[nH]c3C([CH](C(=O)OC)C(=O)c3c2C)=C4N=C(C=C5NC(=O)C(=C5C)C=C)[CH](C)[CH]4CCC(O)=O)C=O;CCc1c(c([nH]c1Cc2c(c3c([nH]2)C(=C4C(C(C(=N4)C=C5C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)C(C3=O)C(=O)OC)C)C=O)C","InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1","Red chlorophyll catabolite","2010-04-02","2021-03-01","3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid",""],["RCD","gamma-cyclodextrin","C48 H80 O40","OC2C(O)C1OC9OC(CO)C(OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O)C(O)C9O;OC[CH]1O[CH]2O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH]9[CH](O)[CH](O)[CH](O[CH]9CO)O[CH]1[CH](O)[CH]2O;C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O","InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1","cyclo-octa-amylose","2011-02-11","2020-07-17","(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)","2015-12-16"],["8A6","4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide","C32 H30 F3 N5 O3 S","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N","InChI=1S/C32H30F3N5O3S/c1-19(2)31(27(17-36)29(37)43-30-28(31)20(3)38-39-30)24-14-23(15-25(16-24)32(33,34)35)22-10-12-26(13-11-22)44(41,42)40(4)18-21-8-6-5-7-9-21/h5-16,19H,18,37H2,1-4H3,(H,38,39)/t31-/m0/s1","4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide","2017-05-25","2021-03-13","4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide","2017-11-29"],["RCE","1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione","C11 H15 N2 O9 P","O=P(O)(O)OCC32OC(N1C(=O)NC(=O)C=C1)C(OC2C)C3O;C[CH]1O[CH]2[CH](O)[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)NC3=O;CC1C2(C(C(O1)C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O","InChI=1S/C11H15N2O9P/c1-5-11(4-20-23(17,18)19)8(15)7(21-5)9(22-11)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8+,9-,11+/m1/s1","","2012-01-11","2012-06-15","1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione",""],["8A7","(5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione","C24 H20 N2 O4 S2","c5ccc(c4oc(C)c(CCOc2ccc(c1c2ccs1)CC3SC(=O)NC3=O)n4)cc5;Cc1oc(nc1CCOc2ccc(C[CH]3SC(=O)NC3=O)c4sccc24)c5ccccc5;Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5","InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)","Edaglitazone","2017-01-16","2020-06-17","(5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione","2018-01-17"],["8A8","6-(cyclohexylmethoxy)phthalazine-1,4-dione","C15 H16 N2 O3","O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12;c1cc2c(cc1OCC3CCCCC3)C(=O)N=NC2=O","InChI=1S/C15H16N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2","","2021-10-07","2022-08-22","6-(cyclohexylmethoxy)phthalazine-1,4-dione","2022-05-11"],["RCF","(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid","C16 H12 F N O4","N#Cc1ccc(c(c1)F)Oc2ccc(OC(C)C(O)=O)cc2;C[CH](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N","InChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1","","2019-06-03","2019-06-07","(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid","2019-06-12"],["8AA","8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-O-(dihydroxyphosphanyl)guanosine","C26 H25 N6 O7 P","P(OCC6C(CC(n5c1NC(=NC(c1nc5N(c4ccc3cc2ccccc2cc3c4)C(C)=O)=O)N)O6)O)(O)O;CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5C(=O)N=C(N)Nc5n4[CH]6C[CH](O)[CH](COP(O)O)O6;CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4C6CC(C(O6)COP(O)O)O)NC(=NC5=O)N","InChI=1S/C26H25N6O7P/c1-13(33)31(18-7-6-16-8-14-4-2-3-5-15(14)9-17(16)10-18)26-28-22-23(29-25(27)30-24(22)35)32(26)21-11-19(34)20(39-21)12-38-40(36)37/h2-10,19-21,34,36-37H,11-12H2,1H3,(H3,27,29,30,35)/t19-,20+,21+/m0/s1","","2016-05-13","2016-05-27","8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-O-(dihydroxyphosphanyl)guanosine","2016-06-01"],["RCG","(1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide","C29 H31 N O7","COc1ccc(cc1)[C]23Oc4cc(OC)cc(OC)c4[C]2(O)[CH](O)[CH]([CH]3c5ccccc5)C(=O)N(C)C;CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5","InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1","Rocaglamide; Rocaglamide A","2017-08-24","2021-03-13","(1~{R},2~{R},3~{S},3~{a}~{R},8~{b}~{S})-6,8-dimethoxy-3~{a}-(4-methoxyphenyl)-~{N},~{N}-dimethyl-1,8~{b}-bis(oxidanyl)-3-phenyl-2,3-dihydro-1~{H}-cyclopenta[b][1]benzofuran-2-carboxamide","2019-01-16"],["RCH","N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide","C32 H31 N3 O5 S","Cc1cc(cc(n1)C#Cc2ccc3c(oc4c3C(=O)c5ccc(N[S](C)(=O)=O)cc5C4(C)C)c2)C(=O)NC(C)(C)C;Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C","InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37)","","2016-12-06","2017-12-01","~{N}-~{tert}-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide","2017-12-06"],["8AB","(3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine","C11 H17 N3","Cc1nc(ccc1)N1CC(C)NCC1;C[CH]1CN(CCN1)c2cccc(C)n2;Cc1cccc(n1)N2CCNC(C2)C","InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m0/s1","","2021-09-14","2021-09-17","(3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine","2021-09-22"],["RCI","(R)-2-Chloropropionic acid","C3 H5 Cl O2","C[CH](Cl)C(O)=O;CC(C(=O)O)Cl","InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1","(R)-2-Chloropropanoic acid","2016-10-07","2020-06-17","(2~{R})-2-chloranylpropanoic acid","2017-10-04"],["8AC","8-aminooctanoic acid","C8 H17 N O2","O=C(O)CCCCCCCN;NCCCCCCCC(O)=O;C(CCCC(=O)O)CCCN","InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)","8-aminocaprylic acid","2010-04-19","2020-06-17","8-aminooctanoic acid",""],["RCJ","(2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid","C11 H21 N O9","CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C(CC(C(=O)O)O)O)C(C(C(CO)O)O)O","InChI=1S/C11H21NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5-10,13,15-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,6-,7+,8+,9+,10+/m0/s1","","2016-07-26","2017-01-06","(2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid","2017-01-11"],["8AD","9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE","C20 H24 N4 O","O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCCN(C)C;CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12;CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N","InChI=1S/C20H24N4O/c1-24(2)13-6-5-12-22-20(25)16-10-7-9-15-18(21)14-8-3-4-11-17(14)23-19(15)16/h3-4,7-11H,5-6,12-13H2,1-2H3,(H2,21,23)(H,22,25)","","2000-08-21","2011-06-04","9-amino-N-[4-(dimethylamino)butyl]acridine-4-carboxamide",""],["8AE","4-(cyclobutylmethoxy)benzamide","C12 H15 N O2","NC(=O)c1ccc(OCC2CCC2)cc1;c1cc(ccc1C(=O)N)OCC2CCC2","InChI=1S/C12H15NO2/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,13,14)","","2021-10-07","2022-08-22","4-(cyclobutylmethoxy)benzamide","2022-05-11"],["RCK","~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine","C25 H27 F N6 O S","Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24;c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F","InChI=1S/C25H27FN6OS/c26-22-9-5-4-8-20(22)16-27-23-21-17-28-32(11-10-19-6-2-1-3-7-19)24(21)30-25(29-23)34-18-31-12-14-33-15-13-31/h1-9,17H,10-16,18H2,(H,27,29,30)","","2020-09-24","2021-10-01","~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine","2021-10-06"],["RCL","RICINOLEIC ACID","C18 H34 O3","O=C(O)CCCCCCC/C=C/CC(O)CCCCCC;CCCCCC[CH](O)CC=CCCCCCCCC(O)=O;CCCCCCC(CC=CCCCCCCCC(=O)O)O","InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m1/s1","","2000-08-23","2011-06-04","(9E,12R)-12-hydroxyoctadec-9-enoic acid",""],["8AF","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","C23 H23 N6 O6 P","NC1=NC(=O)c2nc(Nc3ccc4Cc5ccccc5c4c3)n([CH]6C[CH](O)[CH](COP(O)O)O6)c2N1;c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4C6CC(C(O6)COP(O)O)O)NC(=NC5=O)N","InChI=1S/C23H23N6O6P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(35-18)10-34-36(32)33)25-13-6-5-12-7-11-3-1-2-4-14(11)15(12)8-13/h1-6,8,16-18,30,32-33H,7,9-10H2,(H,25,26)(H3,24,27,28,31)/t16-,17+,18+/m0/s1","","2016-06-22","2017-05-05","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","2017-05-10"],["RCM","(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione","C13 H12 Cl N3 O2","O=C1NC(C(=O)N1C)Cc3c2cccc(Cl)c2nc3;CN1C(=O)N[CH](Cc2c[nH]c3c(Cl)cccc23)C1=O;CN1C(=O)C(NC1=O)Cc2c[nH]c3c2cccc3Cl","InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m1/s1","","2013-02-08","2013-03-08","(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione","2013-03-13"],["8AG","8-[ACETYL(ANTHRACEN-2-YL)AMINO]-2'-DEOXYGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)","C26 H27 N6 O8 P","O=C(N(c3cc2cc1ccccc1cc2cc3)C5N(C=4N=C(N)NC(=O)C=4N5)C6OC(C(O)C6)COP(=O)(O)O)C;CC(=O)N([CH]1NC2=C(N=C(N)NC2=O)N1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccc5cc6ccccc6cc5c4;CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N","InChI=1S/C26H27N6O8P/c1-13(33)31(18-7-6-16-8-14-4-2-3-5-15(14)9-17(16)10-18)26-28-22-23(29-25(27)30-24(22)35)32(26)21-11-19(34)20(40-21)12-39-41(36,37)38/h2-10,19-21,26,28,34H,11-12H2,1H3,(H2,36,37,38)(H3,27,29,30,35)/t19-,20+,21+,26+/m0/s1","","2010-06-07","2019-05-03","8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)",""],["8AH","5'-O-(dihydroxyphosphanyl)-2,8-dimethyladenosine","C12 H18 N5 O7 P","O=P(O)(O)OCC1OC(n2c(C)nc3c(N)nc(C)nc32)C(O)C1O;Cc1nc(N)c2nc(C)n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;Cc1nc(c2c(n1)n(c(n2)C)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C12H18N5O7P/c1-4-14-10(13)7-11(15-4)17(5(2)16-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1","","2021-02-26","2021-12-10","2,8-dimethyladenosine 5'-(dihydrogen phosphate)","2021-12-15"],["RCN","4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline","C8 H7 Cl N4","Nc1ccc(Cl)cc1c2cn[nH]n2;c1cc(c(cc1Cl)c2cn[nH]n2)N","InChI=1S/C8H7ClN4/c9-5-1-2-7(10)6(3-5)8-4-11-13-12-8/h1-4H,10H2,(H,11,12,13)","MMG-0363","2020-09-24","2021-02-12","4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline","2021-02-17"],["8AI","2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine","C18 H19 F N2","Fc1ccc(CN2C3=C(CCC3)C(=N)C4=C2CCC4)cc1;c1cc(ccc1CN2C3=C(CCC3)C(=N)C4=C2CCC4)F","InChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2","","2021-12-01","2022-09-30","2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine","2022-10-05"],["RCO","RESORCINOL","C6 H6 O2","Oc1cccc(O)c1;Oc1cccc(O)c1;c1cc(cc(c1)O)O","InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H","1,3-BENZENEDIOL; 1,3-DIHYDROXYBENZENE","1999-07-08","2020-06-17","benzene-1,3-diol",""],["RCP","(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE","C30 H35 N3 O3","O=C(N1CCOCC1)C6CCCN(C5CCN(C(=O)c4c2ccccc2cc3ccccc34)CC5)C6;O=C([CH]1CCCN(C1)C2CCN(CC2)C(=O)c3c4ccccc4cc5ccccc35)N6CCOCC6;c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)N5CCCC(C5)C(=O)N6CCOCC6","InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1","","2004-07-09","2011-06-04","(3R)-1'-(anthracen-9-ylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine",""],["8AJ","2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine","C20 H19 Cl N4","c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)c4;CN(C)CCc1nnc2cc(c3ccccc3)c4cc(Cl)ccc4n12;CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl","InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3","PF-02929366","2017-01-16","2020-06-17","2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine","2017-05-17"],["8AK","N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide","C11 H16 N2 O2","Cc1cc(no1)C(=O)N(C1CC1)C(C)C;CC(C)N(C1CC1)C(=O)c2cc(C)on2;Cc1cc(no1)C(=O)N(C2CC2)C(C)C","InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3","","2021-09-14","2021-09-17","N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide","2021-09-22"],["RCQ","4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline","C8 H7 Cl N4","Nc1ccc(Cl)cc1c2[nH]ncn2;c1cc(c(cc1Cl)c2[nH]ncn2)N","InChI=1S/C8H7ClN4/c9-5-1-2-7(10)6(3-5)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)","MMG-0706","2020-09-24","2021-02-12","4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline","2021-02-17"],["RCR","(8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H16 Br F N4 O2","O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(Br)ccc3c12;OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc(Br)ccc5c34;c1cc2c(cc1Br)[nH]c3c2c(ncn3)N4CC5(CCC5)C(C4)(C(=O)O)F","InChI=1S/C18H16BrFN4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m1/s1","","2022-06-22","2022-07-01","(8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["8AM","N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide","C20 H28 F N9 O2","C1C(NC(=O)CC)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C(C)C)F;CCC(=O)N[CH]1CN(C[CH]1F)c2nc(Nc3cn(C)nc3OC)c4ncn(C(C)C)c4n2;CCC(=O)NC1CN(CC1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C","InChI=1S/C20H28FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h8,10-13H,6-7,9H2,1-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1","","2017-01-17","2024-09-27","N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide","2017-03-22"],["8AN","3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)","C10 H15 N6 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N;N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)N)O)N","InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1","","2008-03-27","2024-09-27","3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)",""],["RCS","triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I)","C16 H13 N2 O6 Re S","N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]|4|5|6(|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|C(=C2|4)C|5=C3|6)cc1;c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N","InChI=1S/C13H13N2O3S.3CO.Re/c14-19(17,18)12-7-5-10(6-8-12)9-15-13(16)11-3-1-2-4-11;3*1-2;/h1-8H,9H2,(H,15,16)(H2,14,17,18);;;;","","2011-04-26","2012-02-24","",""],["RCT","4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole","C16 H14 Cl N3","Clc1cccc(c2[nH]nnc2)c1CCc3ccccc3;c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3","InChI=1S/C16H14ClN3/c17-15-8-4-7-14(16-11-18-20-19-16)13(15)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,19,20)","MMG-0472; 5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1H-1,2,3-triazole","2020-09-24","2022-08-22","5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1~{H}-1,2,3-triazole","2022-07-06"],["8AO","(4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2\n,3-c]pyrazole-5-carbonitrile","C31 H27 F3 N4 O3 S","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N","InChI=1S/C31H27F3N4O3S/c1-18(2)30(26(16-35)28(36)41-29-27(30)19(3)37-38-29)23-13-22(14-24(15-23)31(32,33)34)21-9-11-25(12-10-21)42(39,40)17-20-7-5-4-6-8-20/h4-15,18H,17,36H2,1-3H3,(H,37,38)/t30-/m0/s1","(S)-6-amino-4-(4'-(benzylsulfonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3\n-c]pyrazole-5-carbonitrile","2017-05-25","2020-06-17","(4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2017-11-29"],["8AP","N~3~-BENZYLPYRIDINE-2,3-DIAMINE","C12 H13 N3","n2cccc(NCc1ccccc1)c2N;Nc1ncccc1NCc2ccccc2;c1ccc(cc1)CNc2cccnc2N","InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)","","2007-01-12","2011-06-04","N~3~-benzylpyridine-2,3-diamine",""],["RCU","ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate","C15 H15 Cl F3 N O3","CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F;CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl","InChI=1S/C15H15ClF3NO3/c1-2-23-13(22)6-5-12(21)20-8-7-9-11(20)4-3-10(16)14(9)15(17,18)19/h3-4H,2,5-8H2,1H3","","2022-11-29","2022-12-09","ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate","2022-12-14"],["8AQ","4-(cyclohexylmethoxy)-2-methoxy-benzamide","C15 H21 N O3","COc1cc(OCC2CCCCC2)ccc1C(N)=O;COc1cc(ccc1C(=O)N)OCC2CCCCC2","InChI=1S/C15H21NO3/c1-18-14-9-12(7-8-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,17)","","2021-10-07","2022-08-22","4-(cyclohexylmethoxy)-2-methoxy-benzamide","2022-05-11"],["RCV","methyl [3-(aminomethyl)phenoxy]acetate","C10 H13 N O3","c1ccc(CN)cc1OCC(=O)OC;COC(=O)COc1cccc(CN)c1;COC(=O)COc1cccc(c1)CN","InChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3","","2020-02-10","2020-05-29","methyl [3-(aminomethyl)phenoxy]acetate","2020-06-03"],["8AR","hydrogen arsenate","As H O4","[O-][As]([O-])(=O)O;O[As]([O-])([O-])=O;O[As](=O)([O-])[O-]","InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-2","","2012-08-03","2012-08-31","hydrogen arsenate","2012-08-31"],["RCW","4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline","C8 H7 Br N4","Nc1ccc(Br)cc1c2[nH]cnn2;c1cc(c(cc1Br)c2[nH]cnn2)N","InChI=1S/C8H7BrN4/c9-5-1-2-7(10)6(3-5)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)","MMG-0752","2020-09-24","2021-02-12","4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline","2021-02-17"],["RCX","Rofecoxib","C17 H14 O4 S","C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3;CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3","InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3","Vioxx","2016-06-21","2020-06-17","3-(4-methylsulfonylphenyl)-4-phenyl-2~{H}-furan-5-one","2016-09-28"],["8AS","3-(morpholin-4-yl)propanoic acid","C7 H13 N O3","O=C(CCN1CCOCC1)O;OC(=O)CCN1CCOCC1;C1COCCN1CCC(=O)O","InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)","","2017-01-17","2017-10-27","3-(morpholin-4-yl)propanoic acid","2017-11-01"],["RCY","(3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione","C12 H19 N2 O3","ON2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C;CC1(C)C[CH](N2C(=O)CCC2=O)C(C)(C)N1[O];CC1(CC(C(N1[O])(C)C)N2C(=O)CCC2=O)C","InChI=1S/C12H20N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h8,17H,5-7H2,1-4H3/t8-/m1/s1","3-Maleimido-PROXYL (bound form)","2007-10-05","2024-09-27","(3'R)-1'-hydroxy-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione",""],["8AT","1,2-dimethylquinolin-4-imine","C11 H12 N2","CN1C(=CC(=N)c2ccccc12)C;CC1=CC(=N)c2ccccc2N1C","InChI=1S/C11H12N2/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7,12H,1-2H3/b12-10+","","2021-12-01","2022-09-30","1,2-dimethylquinolin-4-imine","2022-10-05"],["8AU","(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-\ncarbonitrile","C24 H20 Cl F3 N4 O","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3Cl)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N","InChI=1S/C24H20ClF3N4O/c1-12(2)23(18(11-29)21(30)33-22-20(23)13(3)31-32-22)15-8-14(9-16(10-15)24(26,27)28)17-6-4-5-7-19(17)25/h4-10,12H,30H2,1-3H3,(H,31,32)/t23-/m0/s1","(S)-6-amino-4-(2'-chloro-5-(trifluoromethyl)-[1,1-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole\n-5-carbonitrile","2017-05-25","2020-06-17","(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2017-11-29"],["RCZ","Ru(TAP)2(Cl-dppz) complex","C38 H21 Cl N12 Ru","Clc2ccc1nc3c6c5c4c(c3nc1c2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13;[Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc(Cl)ccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%13;c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81","InChI=1S/C18H9ClN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;/q;;;+2","","2013-01-09","2013-07-12","(11-chlorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","2013-07-17"],["RD0","1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole","C28 H38 N4 S","C1CCCCC1(c5sc(c2cc3c(cc2)n(cc3)CCC4CCNCC4)nc5)N6CCCC6;C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(CCC6CCNCC6)ccc5c4;c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6","InChI=1S/C28H38N4S/c1-2-12-28(13-3-1,32-16-4-5-17-32)26-21-30-27(33-26)24-6-7-25-23(20-24)11-19-31(25)18-10-22-8-14-29-15-9-22/h6-7,11,19-22,29H,1-5,8-10,12-18H2","","2017-12-13","2018-06-01","1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole","2018-06-06"],["8AV","(1S)-1-cyclohexylethane-1,2-diamine","C8 H18 N2","NC(C1CCCCC1)CN;NC[CH](N)C1CCCCC1;C1CCC(CC1)C(CN)N","InChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2/t8-/m1/s1","","2017-01-17","2017-10-27","(1S)-1-cyclohexylethane-1,2-diamine","2017-11-01"],["RD1","{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)","C11 H13 O10 P3","c1cc(cc2c1cc(cc2)C(P(O)(=O)O)P(O)(=O)O)OP(=O)(O)O;O[P](O)(=O)Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O;c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O","InChI=1S/C11H13O10P3/c12-22(13,14)11(23(15,16)17)9-2-1-8-6-10(21-24(18,19)20)4-3-7(8)5-9/h1-6,11H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","","2016-10-13","2017-10-20","{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)","2017-10-25"],["8AW","1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate","C28 H35 N3 O3 S","O=C(OCc1scnc1)NC(Cc2ccccc2)CCC(NC(=O)C(C)CC)Cc3ccccc3;CC[CH](C)C(=O)N[CH](CC[CH](Cc1ccccc1)NC(=O)OCc2scnc2)Cc3ccccc3;CCC(C)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3","InChI=1S/C28H35N3O3S/c1-3-21(2)27(32)30-24(16-22-10-6-4-7-11-22)14-15-25(17-23-12-8-5-9-13-23)31-28(33)34-19-26-18-29-20-35-26/h4-13,18,20-21,24-25H,3,14-17,19H2,1-2H3,(H,30,32)(H,31,33)/t21-,24+,25+/m0/s1","","2013-05-06","2013-06-14","1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate","2013-06-19"],["8AX","6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H27 Cl F2 N4 O","Clc1cccc(c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3cccc(Cl)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)Cl)(F)F","InChI=1S/C21H27ClF2N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1","","2010-11-29","2011-10-28","6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["RD2","[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)","C11 H12 O7 P2","Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)O)c2;Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O;c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O","InChI=1S/C11H12O7P2/c12-10-4-3-7-5-9(2-1-8(7)6-10)11(19(13,14)15)20(16,17)18/h1-6,11-12H,(H2,13,14,15)(H2,16,17,18)","","2016-10-13","2017-10-20","[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)","2017-10-25"],["RD3","{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)","C7 H11 O10 P3","C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O;O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](O)(O)=O;c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O","InChI=1S/C7H11O10P3/c8-18(9,10)7(19(11,12)13)5-1-3-6(4-2-5)17-20(14,15)16/h1-4,7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)","","2016-10-14","2017-10-20","{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)","2017-10-25"],["8AY","3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanine","C13 H16 N2 O2 S","C(C)(C)c2cc1c(nc(s1)CC(N)C(=O)O)cc2;CC(C)c1ccc2nc(C[CH](N)C(O)=O)sc2c1;CC(C)c1ccc2c(c1)sc(n2)CC(C(=O)O)N","InChI=1S/C13H16N2O2S/c1-7(2)8-3-4-10-11(5-8)18-12(15-10)6-9(14)13(16)17/h3-5,7,9H,6,14H2,1-2H3,(H,16,17)/t9-/m0/s1","","2017-01-17","2017-10-27","3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanine","2017-11-01"],["RD4","3-ethoxybenzene-1-carboximidamide","C9 H12 N2 O","c1c(cc(C(=N)N)cc1)OCC;CCOc1cccc(c1)C(N)=N;CCOc1cccc(c1)C(=N)N","InChI=1S/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)","","2020-02-10","2020-05-29","3-ethoxybenzene-1-carboximidamide","2020-06-03"],["8AZ","8-aza-nebularine-5'-monophosphate","C9 H14 N5 O8 P","O[CH]1NC=Nc2n(nnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;C1=Nc2c(nnn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(N1)O","InChI=1S/C9H14N5O8P/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-7-4(12-13-14)8(17)11-2-10-7/h2-3,5-6,8-9,15-17H,1H2,(H,10,11)(H2,18,19,20)/t3-,5-,6-,8-,9-/m1/s1","","2015-10-27","2016-04-08","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[(7~{R})-7-oxidanyl-6,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate","2016-04-13"],["8B0","(4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","C25 H20 F3 N5 O","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C#N)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N","InChI=1S/C25H20F3N5O/c1-13(2)24(20(12-30)22(31)34-23-21(24)14(3)32-33-23)17-8-16(9-18(10-17)25(26,27)28)19-7-5-4-6-15(19)11-29/h4-10,13H,31H2,1-3H3,(H,32,33)/t24-/m0/s1","(s)-6-amino-4-(2'-cyano-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","2017-05-25","2021-03-13","(4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2017-11-29"],["RD5","2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide","C19 H18 Cl N3 O3 S","CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc21;C[S](=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc2cncc3ccccc23;CS(=O)(=O)NCc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl","InChI=1S/C19H18ClN3O3S/c1-27(25,26)22-11-13-6-7-16(20)8-15(13)9-19(24)23-18-12-21-10-14-4-2-3-5-17(14)18/h2-8,10,12,22H,9,11H2,1H3,(H,23,24)","","2023-08-22","2023-11-03","2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["RD6","(8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H16 Br F N4 O2","O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(Br)ccc3c12;OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc(Br)ccc5c34;c1cc2c(cc1Br)[nH]c3c2c(ncn3)N4CC5(CCC5)C(C4)(C(=O)O)F","InChI=1S/C18H16BrFN4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m0/s1","","2022-06-22","2022-07-01","(8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["8B1","N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide","C31 H47 N5 O4 S","O=C(CCN1CCOCC1)NCC(NC(C(NC(CC)=O)Cc3sc2cc(C(C)C)ccc2n3)=O)C4CCCCC4;CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CNC(=O)CCN3CCOCC3)C4CCCCC4;CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)CCN3CCOCC3)C4CCCCC4","InChI=1S/C31H47N5O4S/c1-4-28(37)33-25(19-30-34-24-11-10-23(21(2)3)18-27(24)41-30)31(39)35-26(22-8-6-5-7-9-22)20-32-29(38)12-13-36-14-16-40-17-15-36/h10-11,18,21-22,25-26H,4-9,12-17,19-20H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)/t25-,26+/m0/s1","","2017-01-17","2017-10-27","N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide","2017-11-01"],["8B2","(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine","C12 H18 N2 O","CC(N)c1ccc(cc1)N1CCOCC1;C[CH](N)c1ccc(cc1)N2CCOCC2;CC(c1ccc(cc1)N2CCOCC2)N","InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1","","2021-09-14","2021-09-17","(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine","2021-09-22"],["RD7","1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole","C27 H37 N5 S","C1CCCCC1(c5sc(c3cc2ccn(c2cc3)CCN4CCNCC4)nc5)N6CCCC6;C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(CCN6CCNCC6)ccc5c4;c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6","InChI=1S/C27H37N5S/c1-2-9-27(10-3-1,32-13-4-5-14-32)25-21-29-26(33-25)23-6-7-24-22(20-23)8-15-31(24)19-18-30-16-11-28-12-17-30/h6-8,15,20-21,28H,1-5,9-14,16-19H2","","2017-12-11","2018-06-01","1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole","2018-06-06"],["RD8","Radezolid","C22 H23 F N6 O3","c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c3)N4CC(OC4=O)CNC(C)=O;CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4","InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1","RX-1741","2020-04-29","2021-03-01","N-({(5S)-3-[2-fluoro-4'-({[(1H-1,2,3-triazol-4-yl)methyl]amino}methyl)[1,1'-biphenyl]-4-yl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide","2020-06-03"],["8B3","(4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-\ncarbonitrile","C24 H20 F4 N4 O","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3F)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N","InChI=1S/C24H20F4N4O/c1-12(2)23(18(11-29)21(30)33-22-20(23)13(3)31-32-22)15-8-14(9-16(10-15)24(26,27)28)17-6-4-5-7-19(17)25/h4-10,12H,30H2,1-3H3,(H,31,32)/t23-/m0/s1","(s)-6-amino-4-(2'-fluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol\ne-5-carbonitrile","2017-05-25","2020-06-17","(4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2017-11-29"],["RD9","methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate","C14 H14 F3 N O3","COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F;COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F","InChI=1S/C14H14F3NO3/c1-21-13(20)6-5-12(19)18-8-7-9-10(14(15,16)17)3-2-4-11(9)18/h2-4H,5-8H2,1H3","","2022-11-29","2022-12-09","methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate","2022-12-14"],["8B4","(1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol","C11 H16 F N5 O9 P2","c2nc1c(ncnn1c2C3C(F)(C)C(O)C(O3)COP(OP(O)(O)=O)(O)=O)N;C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1c2cnc3n2ncnc3N;CC1(C(OC(C1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F","InChI=1S/C11H16FN5O9P2/c1-11(12)7(18)6(3-24-28(22,23)26-27(19,20)21)25-8(11)5-2-14-10-9(13)15-4-16-17(5)10/h2,4,6-8,18H,3H2,1H3,(H,22,23)(H2,13,15,16)(H2,19,20,21)/t6-,7-,8+,11-/m1/s1","","2017-01-17","2017-03-17","(1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol","2017-03-22"],["8B5","6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione","C15 H9 Br N2 O3","Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1;c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O","InChI=1S/C15H9BrN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2","","2021-10-07","2022-08-22","6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione","2022-05-11"],["RDA","METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE","C18 H18 Cl N O8","Clc1c(c(c(O)cc1O)C(=O)OC)CCC(=O)Nc2cc(O)c(OC)cc2O;COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc2cc(O)c(OC)cc2O;COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O","InChI=1S/C18H18ClNO8/c1-27-14-7-10(21)9(5-11(14)22)20-15(25)4-3-8-16(18(26)28-2)12(23)6-13(24)17(8)19/h5-7,21-24H,3-4H2,1-2H3,(H,20,25)","","2006-02-16","2011-06-04","methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate",""],["RDC","RADICICOL","C18 H17 Cl O6","O=C2C=CC=CC3OC3CC(OC(=O)c1c(O)cc(O)c(Cl)c1C2)C;C[CH]1C[CH]2O[CH]2C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1;CC1CC2C(O2)C=CC=CC(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1","InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1","MONORDEN","1999-07-08","2020-06-17","(1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione",""],["8B6","4-oxidanylfuro[3,2-g]chromen-7-one","C11 H6 O4","Oc1c2ccoc2cc3OC(=O)C=Cc13;c1coc2c1c(c3c(c2)OC(=O)C=C3)O","InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H","","2017-05-30","2018-05-18","4-oxidanylfuro[3,2-g]chromen-7-one","2018-05-23"],["RDD","1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione","C8 H11 N3 O7","O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C(=O)NC(=O)NC2=O;C(C1C(C(C(O1)N2C(=O)NC(=O)NC2=O)O)O)O","InChI=1S/C8H11N3O7/c12-1-2-3(13)4(14)5(18-2)11-7(16)9-6(15)10-8(11)17/h2-5,12-14H,1H2,(H2,9,10,15,16,17)/t2-,3-,4-,5-/m1/s1","","2007-11-16","2011-06-04","1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione",""],["8B7","6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose","C18 H32 O15","C3(OC2C(OC1C(C(C(OC1CO)O)O)O)OC(C(C2O)O)CO)C(O)C(O)C(O)C(O3)C;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O)O","InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10-,11+,12+,13-,14+,15+,16+,17-,18-/m0/s1","","2017-01-17","2020-07-17","6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose","2017-10-18"],["8B8","(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide","C32 H36 N6 O5","COc1ccc(nc1)C2(CCCCC2)CNC(=O)[C](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5ccc(cc5)[N+]([O-])=O;CC(Cc1c[nH]c2c1cccc2)(C(=O)NCC3(CCCCC3)c4ccc(cn4)OC)NC(=O)Nc5ccc(cc5)[N+](=O)[O-]","InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1","","2021-12-01","2023-02-17","(2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide","2023-02-22"],["RDE","2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE","C18 H20 Cl N O7","Clc1cc(c(O)cc1O)C(=O)OCCc2c(OC)c(N)cc(OC)c2OC;COc1cc(N)c(OC)c(CCOC(=O)c2cc(Cl)c(O)cc2O)c1OC;COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N","InChI=1S/C18H20ClNO7/c1-24-15-7-12(20)16(25-2)9(17(15)26-3)4-5-27-18(23)10-6-11(19)14(22)8-13(10)21/h6-8,21-22H,4-5,20H2,1-3H3","","2005-06-29","2011-06-04","2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate",""],["RDF","N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN","C23 H34 N3 O10 P","O=P(OC1OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CC(C)C;CC(C)C[CH](N[P](O)(=O)O[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O;CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O","InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1","PHOSPHORAMIDON","1999-12-17","2021-03-01","(2S)-2-{[(2S)-2-{[(S)-hydroxy{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid",""],["8B9","2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose","C8 H15 N O5","CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O;CC(=O)NC1C(CC(OC1O)CO)O","InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1","N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide; 2-acetamido-2,4-dideoxy-alpha-D-xylo-hexose;\n2-acetamido-2,4-dideoxy-D-xylo-hexose; 2-acetamido-2,4-dideoxy-xylo-hexose","2017-06-02","2024-09-27","~{N}-[(2~{S},3~{R},4~{S},6~{S})-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide","2017-10-25"],["8BA","8-bromo-deoxyadenosine-5'-monophosphate","C10 H12 Br N5 O6 P","Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O)=O)O3)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3CC(C(O3)COP(=O)(=O)O)O)N","InChI=1S/C10H12BrN5O6P/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,12,13,14)(H,18,19,20)/t4-,5+,6+/m0/s1","","2013-07-16","2018-09-25","(2~{R},3~{S},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]oxolan-3-ol","2013-07-24"],["RDG","2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)","C15 H18 N5 O8 P","O=P(O)(O)OCC4OC(n3cnc2c3N=C(NCc1occc1)NC2=O)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4;c1cc(oc1)CNC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2","InChI=1S/C15H18N5O8P/c21-9-4-11(28-10(9)6-27-29(23,24)25)20-7-17-12-13(20)18-15(19-14(12)22)16-5-8-2-1-3-26-8/h1-3,7,9-11,21H,4-6H2,(H2,23,24,25)(H2,16,18,19,22)/t9-,10+,11+/m0/s1","N2-furfuryl-deoxyguanosine-5'-monophosphate","2013-04-22","2020-06-17","2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)","2015-05-06"],["RDH","3-[(1-Carboxyvinyl)oxy]benzoic acid","C10 H8 O5","OC(=O)C(=C)Oc1cccc(c1)C(O)=O;C=C(C(=O)O)Oc1cccc(c1)C(=O)O","InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)","3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid","2020-09-25","2021-10-01","3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid","2021-10-06"],["8BB","trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid","C10 H16 N2 O3 S","O=C(O)C1CCC(C(=O)NC(=CS)N)CC1;NC(NC(=O)[CH]1CC[CH](CC1)C(O)=O)=CS;C1CC(CCC1C(=O)NC(=CS)N)C(=O)O","InChI=1S/C10H16N2O3S/c11-8(5-16)12-9(13)6-1-3-7(4-2-6)10(14)15/h5-7,16H,1-4,11H2,(H,12,13)(H,14,15)/b8-5+/t6-,7-","","2012-01-04","2024-09-27","trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid",""],["8BC","2-acetamido-6-fluorobenzoic acid","C9 H8 F N O3","O=C(C)Nc1cccc(F)c1C(=O)O;CC(=O)Nc1cccc(F)c1C(O)=O;CC(=O)Nc1cccc(c1C(=O)O)F","InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)","","2021-09-14","2021-09-17","2-acetamido-6-fluorobenzoic acid","2021-09-22"],["RDI","RADICICOL","C18 H23 Cl O6","O=C2CC(=O)C(Cl)C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C;C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl)C(=O)CC(=O)[CH]3C(=O)O1;CC1CC2C(O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1","InChI=1S/C18H23ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h9,11,14-17H,2-8H2,1H3/t9-,11-,14-,15-,16?,17+/m1/s1","","2003-09-10","2011-06-04","(1aR,7aR,8S,11aS,14R,15aR)-8-chloro-14-methyloctahydro-2H-oxireno[e][2]benzoxacyclotetradecine-6,9,11,12(3H,7H,8H,10H)-tetrone",""],["8BD","3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid","C11 H13 N O4","O=C(O)CCON=C/c1ccccc1OC;COc1ccccc1C=NOCCC(O)=O;COc1ccccc1C=NOCCC(=O)O","InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-","(E)-3-(2-methoxybenzylideneaminooxy)propanoic acid","2009-04-06","2021-03-01","3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid",""],["RDJ","N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide","C9 H15 N3 O2 S","c1(SCC(=O)NCC)nnc(o1)C(C)C;CCNC(=O)CSc1oc(nn1)C(C)C;CCNC(=O)CSc1nnc(o1)C(C)C","InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)","","2020-02-10","2020-05-29","N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide","2020-06-03"],["8BE","4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide","C15 H14 Br N O3","COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O;COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br","InChI=1S/C15H14BrNO3/c1-19-14-8-12(5-6-13(14)15(17)18)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18)","","2021-10-07","2022-08-22","4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide","2022-05-11"],["RDK","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C19 H16 Cl N3 O3 S","Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21;C[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C19H16ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["8BF","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{\na}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C31 H44 O4","C[CH](CCC[CH](O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;CC(CCCC(c1ccc(cc1)O)O)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C31H44O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-30,32-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,28-,29-,30-,31-/m1/s1","25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3","2017-06-07","2020-06-17","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2018-06-06"],["RDL","6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE","C11 H14 N4 O8","O=C1NC2=C(C(=O)N1)NC(=O)C(=O)N2CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)C(=O)NC2=C1NC(=O)NC2=O;C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O","InChI=1S/C11H14N4O8/c16-2-4(18)6(19)3(17)1-15-7-5(12-9(21)10(15)22)8(20)14-11(23)13-7/h3-4,6,16-19H,1-2H2,(H,12,21)(H2,13,14,20,23)/t3-,4+,6-/m0/s1","","2003-02-04","2011-06-04","1-deoxy-1-(2,4,6,7-tetraoxo-1,3,4,5,6,7-hexahydropteridin-8(2H)-yl)-D-ribitol",""],["RDM","(2R)-2-(acetylamino)-4-phenylbutanoic acid","C12 H15 N O3","C(c1ccccc1)CC(C(=O)O)NC(=O)C;CC(=O)N[CH](CCc1ccccc1)C(O)=O;CC(=O)NC(CCc1ccccc1)C(=O)O","InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1","","2020-02-10","2020-05-29","(2R)-2-(acetylamino)-4-phenylbutanoic acid","2020-06-03"],["8BG","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate","C29 H39 N3 O7 S","c5c(S(N(C1(CC1)C(C(NC(OC2COC3C2CCO3)=O)Cc4ccccc4)O)CC(C)C)(=O)=O)ccc(c5)N;CC(C)CN(C1(CC1)[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)[S](=O)(=O)c5ccc(N)cc5;CC(C)CN(C1(CC1)C(C(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)S(=O)(=O)c5ccc(cc5)N","InChI=1S/C29H39N3O7S/c1-19(2)17-32(40(35,36)22-10-8-21(30)9-11-22)29(13-14-29)26(33)24(16-20-6-4-3-5-7-20)31-28(34)39-25-18-38-27-23(25)12-15-37-27/h3-11,19,23-27,33H,12-18,30H2,1-2H3,(H,31,34)/t23-,24-,25-,26-,27+/m0/s1","","2017-01-17","2018-01-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate","2018-01-10"],["8BH","5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile","C15 H10 N6","Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N;c1ccc2c(c1)c(c[nH]2)C=C(C#N)c3c(c([nH]n3)N)C#N","InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+","Tyrphostin AG 1112","2022-03-04","2023-01-13","5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile","2023-01-18"],["RDN","(8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H18 N4 O2","O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12;OC(=O)[CH]1CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c34;c1ccc2c(c1)c3c([nH]2)ncnc3N4CC(C5(C4)CCC5)C(=O)O","InChI=1S/C18H18N4O2/c23-17(24)12-8-22(9-18(12)6-3-7-18)16-14-11-4-1-2-5-13(11)21-15(14)19-10-20-16/h1-2,4-5,10,12H,3,6-9H2,(H,23,24)(H,19,20,21)/t12-/m1/s1","","2022-06-22","2022-07-01","(8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["8BI","(1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine","C12 H21 N3","CC1(C)CC(NCc2cc[NH]n2)C(C)C1;C[CH]1CC(C)(C)C[CH]1NCc2cc[nH]n2;CC1CC(CC1NCc2cc[nH]n2)(C)C","InChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1","","2021-09-14","2021-09-17","(1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine","2021-09-22"],["RDO","ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate","C15 H16 F3 N O3","CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F;CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F","InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3","(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA\nN-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-glucoside","2022-11-29","2022-12-09","ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate","2022-12-14"],["RDP","ALPHA-D-RIBOSE-1-PHOSPHATE","C5 H11 O8 P","O=P(OC1OC(C(O)C1O)CO)(O)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)OP(=O)(O)O)O)O)O","InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1/f/h9-10H","","2003-12-19","2008-10-14","1-O-phosphono-alpha-D-ribofuranose",""],["8BJ","(2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","C9 H16 N2 O4 S","C2(CO)C(O)C(C1NC(/SC1O2)=N/CC)O;CCN=C1N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CCN=C1NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1","Thiamet G","2017-01-17","2020-06-17","(2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2017-03-29"],["RDQ","(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H22 Cl N5 O5 S","CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21;CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc(Cl)ccc4C1=O;CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)NS(=O)(=O)C","InChI=1S/C23H22ClN5O5S/c1-25-21(30)12-29-11-19(18-7-14(24)4-6-16(18)23(29)32)22(31)27-20-10-26-9-13-3-5-15(8-17(13)20)28-35(2,33)34/h3-10,19,28H,11-12H2,1-2H3,(H,25,30)(H,27,31)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["8BK","4-(1,3-thiazol-5-ylmethoxy)benzamide","C11 H10 N2 O2 S","NC(=O)c1ccc(OCc2scnc2)cc1;c1cc(ccc1C(=O)N)OCc2cncs2","InChI=1S/C11H10N2O2S/c12-11(14)8-1-3-9(4-2-8)15-6-10-5-13-7-16-10/h1-5,7H,6H2,(H2,12,14)","","2021-10-07","2022-08-22","4-(1,3-thiazol-5-ylmethoxy)benzamide","2022-05-11"],["8BL","(5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl\nidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one","C31 H42 O4","C[CH](CCCC(=O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;CC(CCCC(=O)c1ccc(cc1)O)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C31H42O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-27,29-30,32,34-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,29-,30-,31-/m1/s1","25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3","2017-06-07","2020-06-17","(5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one","2018-06-06"],["RDR","4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE","C22 H21 Cl N4 O4 S2","O=C3N(Cc2cc1cnccc1n2CCO)CCN(C3)S(=O)(=O)c5sc4cc(Cl)ccc4c5;OCCn1c(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)cc5cnccc15;c1cc(cc2c1cc(s2)S(=O)(=O)N3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl","InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2","","2003-01-31","2011-06-04","4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one",""],["8BM","4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium","C25 H35 N9 O","C1CC(CN1C(C)=O)Nc5nc(Nc3ccc(N2CCN(C)CC2)cc3)c4ncn(c4n5)C(C)C;CC(C)n1cnc2c(Nc3ccc(cc3)N4CCN(C)CC4)nc(N[CH]5CCN(C5)C(C)=O)nc12;CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)NC5CCN(C5)C(=O)C","InChI=1S/C25H35N9O/c1-17(2)34-16-26-22-23(27-19-5-7-21(8-6-19)32-13-11-31(4)12-14-32)29-25(30-24(22)34)28-20-9-10-33(15-20)18(3)35/h5-8,16-17,20H,9-15H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1","1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one","2017-01-17","2020-06-17","1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one","2017-03-22"],["RDS","6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine","C14 H16 Cl N3 O S","CC[CH](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1;CCC(C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N","InChI=1S/C14H16ClN3OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-6-4-5-10(15)7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)/t9-/m1/s1","","2015-10-20","2016-10-21","6-[(2~{R})-butan-2-yl]oxy-2-(3-chlorophenyl)sulfanyl-pyrimidin-4-amine","2016-10-26"],["RDT","(1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide","C12 H18 N2 O4 S","O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)C;COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O;CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC","InChI=1S/C12H18N2O4S/c1-8-10-7-12(18-3)11(17-2)6-9(10)4-5-14(8)19(13,15)16/h6-8H,4-5H2,1-3H3,(H2,13,15,16)/t8-/m1/s1","","2010-12-08","2011-06-04","(1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide",""],["8BN","Tegoprazan","C20 H19 F2 N3 O3","CN(C)C(=O)c1cc2[nH]c(C)nc2c(O[CH]3CCOc4cc(F)cc(F)c34)c1;Cc1[nH]c2cc(cc(c2n1)OC3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C","InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1","","2021-12-03","2021-12-31","7-[[(4~{S})-5,7-bis(fluoranyl)-3,4-dihydro-2~{H}-chromen-4-yl]oxy]-~{N},~{N},2-trimethyl-3~{H}-benzimidazole-5-carboxamide","2022-01-05"],["8BO","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C32 H46 O4","CO[CH](CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3)c4ccc(O)cc4;CC(CCCC(c1ccc(cc1)O)OC)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C32H46O4/c1-21(7-5-9-31(36-4)25-12-14-26(33)15-13-25)27-16-17-28-24(8-6-18-32(27,28)3)11-10-23-19-29(34)22(2)30(35)20-23/h10-15,21,27-31,33-35H,2,5-9,16-20H2,1,3-4H3/b24-11+/t21-,27-,28+,29-,30-,31+,32-/m1/s1","25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3","2017-06-07","2021-03-13","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2018-07-11"],["RDU","[(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol","C18 H19 F N4 O2","Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CO;OC[CH]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC(OC5(C4)CCC5)CO","InChI=1S/C18H19FN4O2/c19-11-2-3-13-14(6-11)22-16-15(13)17(21-10-20-16)23-7-12(8-24)25-18(9-23)4-1-5-18/h2-3,6,10,12,24H,1,4-5,7-9H2,(H,20,21,22)/t12-/m1/s1","","2022-06-22","2022-07-01","[(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol","2022-07-06"],["8BP","N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide","C19 H26 F N9 O","C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2)c4c(n3)n(cn4)C(C)C)F;CCC(=O)N[CH]1CN(C[CH]1F)c2nc(Nc3cnn(C)c3)c4ncn(C(C)C)c4n2;CCC(=O)NC1CN(CC1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C","InChI=1S/C19H26FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h6-7,10-11,13-14H,5,8-9H2,1-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1","","2017-01-17","2024-09-27","N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide","2017-03-22"],["RDV","3-cyclopentyl-1-(piperazin-1-yl)propan-1-one","C12 H22 N2 O","C2C(CCC(=O)N1CCNCC1)CCC2;O=C(CCC1CCCC1)N2CCNCC2;C1CCC(C1)CCC(=O)N2CCNCC2","InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2","","2020-02-10","2020-05-29","3-cyclopentyl-1-(piperazin-1-yl)propan-1-one","2020-06-03"],["8BQ","7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","C19 H16 F N3 O2","Fc1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3;c1cc(cc(c1)F)C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O","InChI=1S/C19H16FN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1","","2015-04-09","2016-04-08","7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","2016-04-13"],["RDX","(4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H23 Cl N4 O4 S","OCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CN(CCO)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C22H23ClN4O4S/c1-26(8-9-28)32(30,31)27-13-16-6-7-17(23)10-19(16)20(14-27)22(29)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20,28H,8-9,13-14H2,1H3,(H,25,29)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["RDY","N-[(benzyloxy)carbonyl]-N-methyl-L-alanine","C12 H15 N O4","O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C;C[CH](N(C)C(=O)OCc1ccccc1)C(O)=O;CC(C(=O)O)N(C)C(=O)OCc1ccccc1","InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1","","2020-02-10","2020-05-29","N-[(benzyloxy)carbonyl]-N-methyl-L-alanine","2020-06-03"],["8BR","8-BROMO-ADENOSINE-5'-MONOPHOSPHATE","C10 H13 Br N5 O7 P","Brc2nc1c(ncnc1n2C3OC(C(O)C3O)COP(=O)(O)O)N;Nc1ncnc2n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","8-bromoadenosine 5'-(dihydrogen phosphate)",""],["RDZ","Geranyl phosphate","C10 H19 O4 P","CC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCOP(=O)(O)O)C)C","InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+","[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate; [(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate","2020-09-28","2022-01-28","[(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate","2022-02-02"],["8BS","N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide","C18 H24 F N9 O2","C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C)F;CCC(=O)N[CH]1CN(C[CH]1F)c2nc(Nc3cn(C)nc3OC)c4ncn(C)c4n2;CCC(=O)NC1CN(CC1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C","InChI=1S/C18H24FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h7,9-11H,5-6,8H2,1-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1","","2017-01-17","2024-09-27","N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide","2017-03-22"],["8BT","N-cyclopentylmethanesulfonamide","C6 H13 N O2 S","O=S(=O)(C)NC1CCCC1;C[S](=O)(=O)NC1CCCC1;CS(=O)(=O)NC1CCCC1","InChI=1S/C6H13NO2S/c1-10(8,9)7-6-4-2-3-5-6/h6-7H,2-5H2,1H3","","2021-09-14","2021-09-17","N-cyclopentylmethanesulfonamide","2021-09-22"],["RE","RHENIUM","Re","[Re];[Re];[Re]","InChI=1S/Re","","1999-07-08","2011-06-04","rhenium",""],["8BU","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","C11 H17 F N5 O12 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)[CH](F)[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(C(F)P(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C11H17FN5O12P3/c12-11(31(22,23)29-32(24,25)26)30(20,21)27-1-4-6(18)7(19)10(28-4)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,10-11,18-19H,1H2,(H,20,21)(H,22,23)(H2,13,14,15)(H2,24,25,26)/t4-,6-,7-,10-,11+/m1/s1","","2017-06-06","2018-02-02","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(~{S})-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","2018-02-07"],["RE0","3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine","C11 H12 N2 O4","O=C(O)C(N)CC2(O)c1ccccc1NC2=O;N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O;c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O","InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1","","2011-02-03","2024-09-27","3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine",""],["8BV","2-[(propan-2-yl)oxy]benzamide","C10 H13 N O2","c1ccc(c(c1)OC(C)C)C(=O)N;CC(C)Oc1ccccc1C(N)=O;CC(C)Oc1ccccc1C(=O)N","InChI=1S/C10H13NO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H2,11,12)","","2017-01-18","2017-05-19","2-[(propan-2-yl)oxy]benzamide","2017-05-24"],["RE1","GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE","C11 H21 N3 O7 P","[O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C;C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)[P](O)([O-])=O;CC(NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])P(=O)(O)[O-]","InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1","","2002-10-15","2024-09-27","(2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate",""],["8BW","6-(cyclobutylmethoxy)phthalazine-1,4-dione","C13 H12 N2 O3","O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12;c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O","InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2","","2021-10-07","2022-08-22","6-(cyclobutylmethoxy)phthalazine-1,4-dione","2022-05-11"],["RE2","5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol","C14 H14 O3","Oc1cc(cc(O)c1)CCc2ccc(O)cc2;Oc1ccc(CCc2cc(O)cc(O)c2)cc1;c1cc(ccc1CCc2cc(cc(c2)O)O)O","InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2","Dihydroresveratrol","2009-01-19","2020-06-17","5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol",""],["RE3","3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine","C11 H12 N2 O4","O=C(O)C(N)CC2(O)c1ccccc1NC2=O;N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O;c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O","InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1","","2011-02-03","2024-09-27","3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine",""],["8BX","6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H27 Cl F2 N4 O","Clc1ccccc1C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3ccccc3Cl)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3ccccc3Cl)(F)F","InChI=1S/C21H27ClF2N4O/c1-14-8-16(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)17-4-2-3-5-18(17)22/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1","","2010-11-30","2011-10-28","6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["8BY","5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide","C21 H18 N2 O2","c32c(c1ccc(C#N)cc1)cccc2cc(c(c3)OC(C)C)C(=O)N;CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(N)=O;CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N","InChI=1S/C21H18N2O2/c1-13(2)25-20-11-18-16(10-19(20)21(23)24)4-3-5-17(18)15-8-6-14(12-22)7-9-15/h3-11,13H,1-2H3,(H2,23,24)","","2017-01-18","2017-05-19","5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide","2017-05-24"],["RE4","6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine","C11 H13 N5","c2(nc(NCc1cccnc1)cc(n2)C)N;Cc1cc(NCc2cccnc2)nc(N)n1;Cc1cc(nc(n1)N)NCc2cccnc2","InChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16)","","2020-02-10","2020-05-29","6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine","2020-06-03"],["RE5","L-Glutamate Tenofovir","C14 H21 N6 O7 P","C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CCC(O)=O)C(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CCC(=O)O)C(=O)O)O","InChI=1S/C14H21N6O7P/c1-8(4-20-6-18-11-12(15)16-5-17-13(11)20)27-7-28(25,26)19-9(14(23)24)2-3-10(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22)(H,23,24)(H2,15,16,17)(H2,19,25,26)/t8-,9+/m1/s1","(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid","2020-09-28","2021-03-01","(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid","2021-01-13"],["8BZ","N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide","C22 H26 N4 O3","CN(CCO)C(=O)c1cn2cc(C)nc2c(N[CH]3CCOc4cccc(C)c34)c1;Cc1cccc2c1C(CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO","InChI=1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1","","2021-12-03","2021-12-31","~{N}-(2-hydroxyethyl)-~{N},2-dimethyl-8-[[(4~{R})-5-methyl-3,4-dihydro-2~{H}-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide","2022-01-05"],["RE6","(5R)-5-methylheptanoic acid","C8 H16 O2","CCC(C)CCCC(=O)O;CC[CH](C)CCCC(O)=O;CCC(C)CCCC(=O)O","InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1","","2022-06-22","2024-09-27","(5R)-5-methylheptanoic acid","2022-09-14"],["8C0","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C36 H54 O4","CCCC[CH](CC[CH](OC)c1ccc(O)cc1)[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;CCCCC(CCC(c1ccc(cc1)O)OC)C(C)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C36H54O4/c1-6-7-9-27(15-20-35(40-5)29-13-16-30(37)17-14-29)24(2)31-18-19-32-28(10-8-21-36(31,32)4)12-11-26-22-33(38)25(3)34(39)23-26/h11-14,16-17,24,27,31-35,37-39H,3,6-10,15,18-23H2,1-2,4-5H3/b28-12+/t24-,27+,31-,32+,33-,34-,35+,36-/m1/s1","22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3","2017-06-07","2021-03-13","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2018-06-06"],["RE7","(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine","C13 H16 F N3","c1cc(ccc1F)C(NCCn2cccn2)C;C[CH](NCCn1cccn1)c2ccc(F)cc2;CC(c1ccc(cc1)F)NCCn2cccn2","InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1","","2020-02-10","2020-05-29","(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine","2020-06-03"],["8C1","4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide","C18 H23 N3 O3","c21cc(OC(C)C)c(cc1nccc2OC3CCCNC3)C(N)=O;CC(C)Oc1cc2c(O[CH]3CCCNC3)ccnc2cc1C(N)=O;CC(C)Oc1cc2c(ccnc2cc1C(=O)N)OC3CCCNC3","InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1","","2017-01-18","2020-06-01","4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide","2017-05-24"],["8C2","N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine","C12 H21 N3","Cc1n[NH]c(C)c1CNC1CCCCC1;Cc1[nH]nc(C)c1CNC2CCCCC2;Cc1c(c(n[nH]1)C)CNC2CCCCC2","InChI=1S/C12H21N3/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h11,13H,3-8H2,1-2H3,(H,14,15)","","2021-09-14","2021-09-17","N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine","2021-09-22"],["RE8","4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid","C20 H14 N2 O4 S","O=S(=O)(O)c4ccc(/N=N/c2c1ccccc1ccc2O)c3ccccc34;Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)(=O)=O;c1ccc2c(c1)ccc(c2N=Nc3ccc(c4c3cccc4)S(=O)(=O)O)O","InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+","Acid red 88","2013-03-13","2020-06-17","4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid","2014-02-12"],["RE9","6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID","C20 H28 O2","O=C(O)C=C(C=CCC1(C(/C2=C(C1)C(CCC2)(C)C)=C)C)C;CC(C=CC[C]1(C)CC2=C(CCCC2(C)C)C1=C)=CC(O)=O;CC(=CC(=O)O)C=CCC1(CC2=C(C1=C)CCCC2(C)C)C","InChI=1S/C20H28O2/c1-14(12-18(21)22)8-6-11-20(5)13-17-16(15(20)2)9-7-10-19(17,3)4/h6,8,12H,2,7,9-11,13H2,1,3-5H3,(H,21,22)/b8-6+,14-12+/t20-/m1/s1","","1999-07-08","2011-06-04","(2E,4E)-3-methyl-6-[(2R)-2,4,4-trimethyl-1-methylidene-2,3,4,5,6,7-hexahydro-1H-inden-2-yl]hexa-2,4-dienoic acid",""],["8C3","N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide","C18 H25 N5 O2 S","CCN(CC)CCCNC(=O)CN1N=C(C)n2c3ccsc3cc2C1=O;CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3","InChI=1S/C18H25N5O2S/c1-4-21(5-2)9-6-8-19-17(24)12-22-18(25)15-11-16-14(7-10-26-16)23(15)13(3)20-22/h7,10-11H,4-6,8-9,12H2,1-3H3,(H,19,24)","","2017-06-07","2018-04-20","~{N}-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide","2018-04-25"],["8C5","8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide","C27 H34 N6 O3","O=C(NOC)C2=CN(c1nc(ncc1C2=O)Nc3ccc(cc3)CCN4CCCC4)C5CCCCC5;CONC(=O)C1=CN(C2CCCCC2)c3nc(Nc4ccc(CCN5CCCC5)cc4)ncc3C1=O;CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5","InChI=1S/C27H34N6O3/c1-36-31-26(35)23-18-33(21-7-3-2-4-8-21)25-22(24(23)34)17-28-27(30-25)29-20-11-9-19(10-12-20)13-16-32-14-5-6-15-32/h9-12,17-18,21H,2-8,13-16H2,1H3,(H,31,35)(H,28,29,30)","","2008-07-10","2011-06-04","8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide",""],["REA","RETINOIC ACID","C20 H28 O2","C1(CCCC(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)(C)C;CC1=C(C=CC(C)=CC=CC(C)=CC(O)=O)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C","InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+","","1999-07-08","2016-10-18","retinoic acid",""],["REB","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile","C18 H17 N7","N#CCc1ccc(cc1)Nc4nc(Nc2nnc(c2)C3CC3)ccn4;N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C4CC4)n2)cc1;c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4","InChI=1S/C18H17N7/c19-9-7-12-1-5-14(6-2-12)21-18-20-10-8-16(23-18)22-17-11-15(24-25-17)13-3-4-13/h1-2,5-6,8,10-11,13H,3-4,7H2,(H3,20,21,22,23,24,25)","","2010-09-01","2011-06-04","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile",""],["8C6","[(R)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid","C11 H16 Cl N5 O9 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)[CH](Cl)[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(C(P(=O)(O)O)Cl)O)O)O)N","InChI=1S/C11H16ClN5O9P2/c12-11(27(20,21)22)28(23,24)25-1-4-6(18)7(19)10(26-4)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,10-11,18-19H,1H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t4-,6-,7-,10-,11-/m1/s1","","2017-06-07","2017-09-01","[(~{R})-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid","2017-09-06"],["8C7","4-(cyclohexylmethoxy)benzamide","C14 H19 N O2","NC(=O)c1ccc(OCC2CCCCC2)cc1;c1cc(ccc1C(=O)N)OCC2CCCCC2","InChI=1S/C14H19NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,15,16)","","2021-10-07","2022-08-22","4-(cyclohexylmethoxy)benzamide","2022-05-11"],["REC","CEPHALOSPORIN","C15 H21 N3 O7 S","O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(C(=C)CS1)C(=O)O;N[CH](CCCCC(=O)N[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O)C(O)=O;C=C1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCCCC(C(=O)O)N","InChI=1S/C15H21N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12H,1-6,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11+,12-/m1/s1","(2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy\nlic acid","2007-11-14","2024-09-27","(2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["ETS","(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE","C10 H16 N2 O4 S3","O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N;CCN[CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O;CCNC1CC(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C","InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1","Dorzolamide","1999-07-08","2021-03-01","(4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide",""],["8C9","(4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl\n)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one","C35 H50 O4","CCCC[CH](CCC(=O)c1ccc(O)cc1)[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;CCCCC(CCC(=O)c1ccc(cc1)O)C(C)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C35H50O4/c1-5-6-8-26(14-19-32(37)28-12-15-29(36)16-13-28)23(2)30-17-18-31-27(9-7-20-35(30,31)4)11-10-25-21-33(38)24(3)34(39)22-25/h10-13,15-16,23,26,30-31,33-34,36,38-39H,3,5-9,14,17-22H2,1-2,4H3/b27-11+/t23-,26+,30-,31+,33-,34-,35-/m1/s1","22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3","2017-06-07","2020-06-17","(4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one","2018-06-06"],["ETT","5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid","C21 H27 N O8","O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1CC=Cc2ccc(cc2)C;CC(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=Cc2ccc(C)cc2;Cc1ccc(cc1)C=CCC2=C(OC(C(C2O)NC(=O)C)C(C(CO)O)O)C(=O)O","InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic\nacid","2010-11-24","2020-07-17","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic\nacid",""],["8CA","9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid","C20 H19 N O2","O=C(O)c4c1c(c3c(n1Cc2ccccc2)CCCC3)ccc4;OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4)c12;c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3","InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)","","2009-01-13","2011-06-04","9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid",""],["ETU","(3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone","C24 H30 Cl N7 O2","C[CH]1N(CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(Cl)n5n4)CCN(C)C1=O;CC1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C","InChI=1S/C24H30ClN7O2/c1-17-23(33)29(2)13-14-30(17)15-16-34-20-5-3-18(4-6-20)19-9-11-31(12-10-19)22-8-7-21-26-27-24(25)32(21)28-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1","","2015-08-20","2016-09-23","(3R)-4-[2-[4-[1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one","2016-09-28"],["8CB","(1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol","C17 H22 O2","Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C;CC(=C)[CH]1CCC(=C[CH]1c2c(O)cc(C)cc2O)C;Cc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O","InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1","cannabidiorcin; CBDO","2018-07-26","2020-05-26","(1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol","2019-02-13"],["8CC","N-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide","C11 H11 N3 O","CNC(=O)c1[nH]cc(c1)c2ccncc2;CNC(=O)c1cc(c[nH]1)c2ccncc2","InChI=1S/C11H11N3O/c1-12-11(15)10-6-9(7-14-10)8-2-4-13-5-3-8/h2-7,14H,1H3,(H,12,15)","","2017-06-08","2017-08-04","~{N}-methyl-4-pyridin-4-yl-1~{H}-pyrrole-2-carboxamide","2017-08-09"],["ETV","4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE","C8 H10 F N3 O3 S","FC=1C(=NC(=O)N(C=1)C2OC(SC2)CO)N;NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO)O2;C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F","InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1","5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; (-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; EMTRICITABINE; EMTRIVA","2006-10-26","2020-06-17","4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one",""],["ETW","5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid","C29 H21 N O6","Cc1ccc(CNC(=O)c2ccc(c(c2)C(O)=O)C3=C4C=CC(=O)C=C4Oc5cc(O)ccc35)cc1;Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O","InChI=1S/C29H21NO6/c1-16-2-4-17(5-3-16)15-30-28(33)18-6-9-21(24(12-18)29(34)35)27-22-10-7-19(31)13-25(22)36-26-14-20(32)8-11-23(26)27/h2-14,31H,15H2,1H3,(H,30,33)(H,34,35)","","2018-04-11","2024-09-27","5-[(4-methylphenyl)methylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid","2018-05-09"],["8CD","1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide","C18 H21 N3 O4","NC(c3c(cc1c(ccnc1OCC2NC(CC2)=O)c3)OC(C)C)=O;CC(C)Oc1cc2c(OC[CH]3CCC(=O)N3)nccc2cc1C(N)=O;CC(C)Oc1cc2c(ccnc2OCC3CCC(=O)N3)cc1C(=O)N","InChI=1S/C18H21N3O4/c1-10(2)25-15-8-13-11(7-14(15)17(19)23)5-6-20-18(13)24-9-12-3-4-16(22)21-12/h5-8,10,12H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t12-/m0/s1","","2017-01-18","2017-05-19","1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide","2017-05-24"],["8CE","Soraprazan","C21 H25 N3 O3","COCCO[CH]1[CH](O)[CH](Nc2c1ccn3c(C)c(C)nc23)c4ccccc4;Cc1c(n2ccc3c(c2n1)NC(C(C3OCCOC)O)c4ccccc4)C","InChI=1S/C21H25N3O3/c1-13-14(2)24-10-9-16-18(21(24)22-13)23-17(15-7-5-4-6-8-15)19(25)20(16)27-12-11-26-3/h4-10,17,19-20,23,25H,11-12H2,1-3H3/t17-,19-,20-/m1/s1","","2021-12-03","2021-12-31","(7~{R},8~{R},9~{R})-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol","2022-01-05"],["ETX","2-ETHOXYETHANOL","C4 H10 O2","OCCOCC;CCOCCO;CCOCCO","InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","","2003-10-02","2011-06-04","2-ethoxyethanol",""],["ETY","4-ethylphenol","C8 H10 O","Oc1ccc(cc1)CC;CCc1ccc(O)cc1;CCc1ccc(cc1)O","InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3","","2007-09-24","2011-06-04","4-ethylphenol",""],["8CF","N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide","C19 H17 Cl N2 O5","CCC(=O)Nc1onc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3;CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC","InChI=1S/C19H17ClN2O5/c1-3-16(25)21-19-17(10-4-6-11(26-2)7-5-10)18(22-27-19)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)","","2017-06-10","2018-06-15","~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide","2018-06-20"],["8CG","1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide","C18 H20 F N3 O4","NC(c3cc1c(c(ncc1)OCC2C(C(C(N2)=O)F)CC)cc3OC)=O;CC[CH]1[CH](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[CH]1F;CCC1C(NC(=O)C1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC","InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1","","2017-01-18","2017-05-19","1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide","2017-05-24"],["ETZ","diethyl ether","C4 H10 O","ethoxyethane;CCOCC;CCOCC","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","","2012-12-14","2013-09-27","diethyl ether","2013-10-02"],["EU","EUROPIUM ION","Eu","[Eu+2];[Eu++];[Eu+2]","InChI=1S/Eu/q+2","","1999-07-08","2011-06-04","europium(2+)",""],["8CH","methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate","C9 H17 N O4 S","CC1CCCN(C1C(=O)OC)S(=O)(C)=O;COC(=O)[CH]1[CH](C)CCCN1[S](C)(=O)=O;CC1CCCN(C1C(=O)OC)S(=O)(=O)C","InChI=1S/C9H17NO4S/c1-7-5-4-6-10(15(3,12)13)8(7)9(11)14-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1","","2021-09-14","2021-09-17","methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate","2021-09-22"],["EU0","1-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]guanidine","C6 H14 N3 O2","CC(C)[CH](NC(N)=[NH2+])C(O)=O;CC(C)C(C(=O)O)NC(=[NH2+])N","InChI=1S/C6H13N3O2/c1-3(2)4(5(10)11)9-6(7)8/h3-4H,1-2H3,(H,10,11)(H4,7,8,9)/p+1/t4-/m0/s1","","2022-01-13","2024-09-27","[azanyl-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]methylidene]azanium","2023-05-10"],["8CI","4-(cyclopentylmethoxy)benzamide","C13 H17 N O2","NC(=O)c1ccc(OCC2CCCC2)cc1;c1cc(ccc1C(=O)N)OCC2CCCC2","InChI=1S/C13H17NO2/c14-13(15)11-5-7-12(8-6-11)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,14,15)","","2021-10-07","2022-08-22","4-(cyclopentylmethoxy)benzamide","2022-05-11"],["8CK","N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine","C22 H23 F N4","C[CH]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C;Cc1c(nc(nc1N2CCc3ccccc3C2C)Nc4ccc(cc4)F)C","InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)/t16-/m1/s1","R-revaprazan","2021-12-03","2022-02-25","~{N}-(4-fluorophenyl)-4,5-dimethyl-6-[(1~{R})-1-methyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]pyrimidin-2-amine","2022-03-02"],["EU1","(2R)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C24 H28 Cl N3 O7 S","COc1c(cc(cn1)COc2ccc(cc2)C=3CC(N(CCC(C)(C(NO)=O)S(C)(=O)=O)CC=3)=O)Cl;COc1ncc(COc2ccc(cc2)C3=CCN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc1Cl;CC(CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C","InChI=1S/C24H28ClN3O7S/c1-24(23(30)27-31,36(3,32)33)9-11-28-10-8-18(13-21(28)29)17-4-6-19(7-5-17)35-15-16-12-20(25)22(34-2)26-14-16/h4-8,12,14,31H,9-11,13,15H2,1-3H3,(H,27,30)/t24-/m1/s1","","2018-01-31","2019-03-08","(2R)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2019-03-13"],["8CL","chlorobenzene","C6 H5 Cl","Clc1ccccc1;Clc1ccccc1;c1ccc(cc1)Cl","InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H","","2009-02-16","2011-06-04","chlorobenzene",""],["EU2","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one","C17 H17 Cl N4 O2","Clc1cnc(NC2CCOCC2)nc1c3ccc4CNC(=O)c4c3;c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2","InChI=1S/C17H17ClN4O2/c18-14-9-20-17(21-12-3-5-24-6-4-12)22-15(14)10-1-2-11-8-19-16(23)13(11)7-10/h1-2,7,9,12H,3-6,8H2,(H,19,23)(H,20,21,22)","","2018-04-13","2018-05-25","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one","2018-05-30"],["EU3","EUROPIUM (III) ION","Eu","[Eu+3];[Eu+3];[Eu+3]","InChI=1S/Eu/q+3","","2000-10-02","2011-06-04","europium(3+)",""],["8CM","8-HYDROXYCOUMARIN","C9 H6 O3","O=C2Oc1c(O)cccc1C=C2;Oc1cccc2C=CC(=O)Oc12;c1cc2c(c(c1)O)OC(=O)C=C2","InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H","8-HYDROXY-2H-CHROMENE-2-ONE","2006-06-12","2021-03-01","8-hydroxy-2H-chromen-2-one",""],["8CN","(2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one","C9 H18 N2 O","CC1CCCCN1C(=O)C(C)N;C[CH](N)C(=O)N1CCCC[CH]1C;CC1CCCCN1C(=O)C(C)N","InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8+/m0/s1","","2021-09-14","2021-09-17","(2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one","2021-09-22"],["EU4","1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C26 H19 F3 N6","c34c(C#Cc2c1c(ncnc1N)n(C(C)C)n2)cccc3cc(nc4)c5cc(ccc5)C(F)(F)F;CC(C)n1nc(C#Cc2cccc3cc(ncc23)c4cccc(c4)C(F)(F)F)c5c(N)ncnc15;CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N","InChI=1S/C26H19F3N6/c1-15(2)35-25-23(24(30)32-14-33-25)21(34-35)10-9-16-5-3-6-17-12-22(31-13-20(16)17)18-7-4-8-19(11-18)26(27,28)29/h3-8,11-15H,1-2H3,(H2,30,32,33)","","2018-01-31","2018-02-16","1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2018-02-21"],["EU5","(2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide","C26 H36 Cl N7 O4 S","NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](CCCNC(N)=N)N[S](=O)(=O)Cc3ccccc3;c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCc3cc(ccc3CN)Cl","InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23-/m0/s1","","2018-04-16","2019-04-19","(2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide","2019-04-24"],["8CO","N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide","C20 H19 Cl N2 O5","COc1ccc(cc1)c2c(NC(=O)C(C)C)onc2c3cc(Cl)c(O)cc3O;CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC","InChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26)","","2017-06-10","2018-06-15","~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide","2018-06-20"],["EU7","(1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine","C12 H21 N","CC(N)C12CC3CC(C1)CC(C2)C3;C[CH](N)C12CC3CC(CC(C3)C1)C2;CC(C12CC3CC(C1)CC(C3)C2)N","InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m0/s1","S-RIMANTADINE","2018-01-31","2020-06-17","(1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine","2018-09-19"],["8CP","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine","C9 H17 N4 O12 P3","N1(C=CC(=NC1=O)N)C2OC(C(C2)O)COP(=O)(O)OP(O)(NP(=O)(O)O)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O","InChI=1S/C9H17N4O12P3/c10-7-1-2-13(9(15)11-7)8-3-5(14)6(24-8)4-23-28(21,22)25-27(19,20)12-26(16,17)18/h1-2,5-6,8,14H,3-4H2,(H,21,22)(H2,10,11,15)(H4,12,16,17,18,19,20)/t5-,6+,8+/m0/s1","","2017-01-19","2017-07-21","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine","2017-07-26"],["EU9","[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3R)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium","C21 H26 N7 O7 S","N[CH](CC[S+](C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccccc4[N](=O)=O)C(O)=O;c1ccc(c(c1)C[S+](CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N(=O)=O","InChI=1S/C21H25N7O7S/c22-12(21(31)32)5-6-36(7-11-3-1-2-4-13(11)28(33)34)8-14-16(29)17(30)20(35-14)27-10-26-15-18(23)24-9-25-19(15)27/h1-4,9-10,12,14,16-17,20,29-30H,5-8,22H2,(H2-,23,24,25,31,32)/p+1/t12-,14-,16-,17-,20-,36-/m1/s1","","2020-01-24","2020-10-16","[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{R})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium","2020-10-21"],["8CQ","2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid","C26 H17 N O8","OC(=O)c1cc(ccc1O)N2[CH](c3ccc4C(=O)OCc4c3)C(=C(O)C2=O)C(=O)c5ccccc5;c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc4c(c3)COC4=O)c5ccc(c(c5)C(=O)O)O)O","InChI=1S/C26H17NO8/c28-19-9-7-16(11-18(19)25(32)33)27-21(14-6-8-17-15(10-14)12-35-26(17)34)20(23(30)24(27)31)22(29)13-4-2-1-3-5-13/h1-11,21,28,30H,12H2,(H,32,33)/t21-/m1/s1","","2021-10-08","2022-12-16","2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid","2022-12-21"],["8CR","N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide","C21 H21 Cl N2 O5","COc1ccc(cc1)c2c(NC(=O)C(C)(C)C)onc2c3cc(Cl)c(O)cc3O;CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC","InChI=1S/C21H21ClN2O5/c1-21(2,3)20(27)23-19-17(11-5-7-12(28-4)8-6-11)18(24-29-19)13-9-14(22)16(26)10-15(13)25/h5-10,25-26H,1-4H3,(H,23,27)","","2017-06-10","2018-06-15","~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide","2018-06-20"],["EUA","(6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide","C42 H50 N8 O6 S","NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2;NCc1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)c6ccccc6)C(=O)N2)cc5)cc3)cc1;c1ccc(cc1)S(=O)(=O)NC2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)CC(NC2=O)C(=O)NCc6ccc(cc6)CN)CC4","InChI=1S/C42H50N8O6S/c43-28-32-6-8-33(9-7-32)29-44-41(53)37-26-30-10-14-34(15-11-30)45-39(51)18-20-49-22-24-50(25-23-49)21-19-40(52)46-35-16-12-31(13-17-35)27-38(42(54)47-37)48-57(55,56)36-4-2-1-3-5-36/h1-17,37-38,48H,18-29,43H2,(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t37-,38+/m0/s1","","2021-12-13","2023-02-03","(6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide","2023-02-08"],["EUB","4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile","C15 H11 N3 O S","Nc1sc2cc(OCc3ccc(cc3)C#N)ccc2n1;c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N","InChI=1S/C15H11N3OS/c16-8-10-1-3-11(4-2-10)9-19-12-5-6-13-14(7-12)20-15(17)18-13/h1-7H,9H2,(H2,17,18)","","2018-04-18","2019-03-29","4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile","2019-04-03"],["8CS","(2R,4AR,5AR,11AR,12AS)-8-AMINO-2-HYDROXY-4A,5A,9,11,11A,12A-HEXAHYDRO[1,3,2]DIOXAPHOSPHININO[4',5':5,6]PYRANO[3,2-G]PTERIDINE-10,12(4H,6H)-DIONE 2-OXIDE","C10 H12 N5 O7 P","O=C2C4OP(=O)(O)OCC4OC3NC=1N=C(N)NC(=O)C=1NC23;NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](O)(=O)O[CH]4C3=O)C(=O)N1;C1C2C(C(=O)C3C(O2)NC4=C(N3)C(=O)NC(=N4)N)OP(=O)(O1)O","InChI=1S/C10H12N5O7P/c11-10-14-7-4(8(17)15-10)12-3-5(16)6-2(21-9(3)13-7)1-20-23(18,19)22-6/h2-3,6,9,12H,1H2,(H,18,19)(H4,11,13,14,15,17)/t2-,3+,6+,9-/m1/s1","","2007-07-12","2011-06-04","(2R,4aR,5aR,11aR,12aS)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide",""],["8CT","(6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene","C40 H56","CC=1CCCC(C=1[C@H]=[C@H]C(=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C2C(C)=CCCC2(C)C)C)(C)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C","InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11-,19-13-,20-14-,27-25+,28-26+,31-17+,32-18-,33-21+,34-22+/t37-/m0/s1","","2018-10-12","2018-11-16","(6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene","2018-11-21"],["EUD","EUDESMANE CATION","C15 H26","C=C(C1CCC2(CCCC(C2C1)C)C)C;C[CH]1CCC[C]2(C)CC[CH](C[CH]12)C(C)=C;CC1CCCC2(C1CC(CC2)C(=C)C)C","InChI=1S/C15H26/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h12-14H,1,5-10H2,2-4H3/t12-,13+,14+,15-/m1/s1","","2000-06-12","2011-06-04","(1R,4aR,7S,8aS)-1,4a-dimethyl-7-(1-methylethenyl)decahydronaphthalene",""],["EUE","6-methylsulfonyl-1,3-benzothiazol-2-amine","C8 H8 N2 O2 S2","C[S](=O)(=O)c1ccc2nc(N)sc2c1;CS(=O)(=O)c1ccc2c(c1)sc(n2)N","InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)","","2018-04-18","2019-03-29","6-methylsulfonyl-1,3-benzothiazol-2-amine","2019-04-03"],["8CU","N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide","C18 H15 Br N2 O5","COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Br)c(O)cc3O;CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC","InChI=1S/C18H15BrN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)","","2017-06-10","2018-06-15","~{N}-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide","2018-06-20"],["8CV","N-(2-phenylethyl)imidodicarbonimidic diamide","C10 H15 N5","c1(CCNC(=N)N/C(N)=N)ccccc1;NC(=N)NC(=N)NCCc1ccccc1;c1ccc(cc1)CCNC(=N)NC(=N)N","InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)","","2017-01-19","2017-11-17","N-(2-phenylethyl)imidodicarbonimidic diamide","2017-11-22"],["EUF","2-(ethyldisulfanyl)-1,3-benzothiazole","C9 H9 N S3","CCSSc1sc2ccccc2n1;CCSSc1nc2ccccc2s1","InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3","","2020-01-27","2024-09-27","2-(ethyldisulfanyl)-1,3-benzothiazole","2020-05-27"],["8CW","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate","C37 H49 Cl N7 O14 P","CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)O[C](N)(O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C)c(Cl)c(OC)c2;CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1OC(N)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)OC)C)O)C","InChI=1S/C37H49ClN7O14P/c1-18-7-6-8-25(54-4)24(47)13-26(20(3)10-19(2)23(46)14-29(48)44-22-11-21(9-18)12-27(55-5)30(22)38)58-37(40,51)59-60(52,53)56-15-28-32(49)33(50)36(57-28)45-17-43-31-34(39)41-16-42-35(31)45/h6-8,10-12,16-17,20,23,25-26,28,32-33,36,46,49-51H,9,13-15,40H2,1-5H3,(H,44,48)(H,52,53)(H2,39,41,42)/b8-6+,18-7+,19-10+/t20-,23-,25+,26-,28+,32+,33+,36+,37-/m0/s1","","2021-12-06","2022-11-11","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate","2022-11-16"],["EUG","2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol","C10 H12 O2","Oc1ccc(cc1OC)/C=C/C;COc1cc(C=CC)ccc1O;CC=Cc1ccc(c(c1)OC)O","InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+","Isoeugenol","1999-07-08","2020-06-17","2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol",""],["8CX","6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H28 F2 N4 O","Fc1cccc(c1)C(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNC[CH](F)c3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)F)F","InChI=1S/C21H28F2N4O/c1-14-7-18(27-21(24)8-14)10-16-11-26-13-20(16)28-6-5-25-12-19(23)15-3-2-4-17(22)9-15/h2-4,7-9,16,19-20,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19+,20+/m1/s1","","2010-11-30","2011-09-30","6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["EUH","6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine","C8 H5 F3 N2 S2","Nc1sc2cc(SC(F)(F)F)ccc2n1;c1cc2c(cc1SC(F)(F)F)sc(n2)N","InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)","","2018-04-19","2019-03-29","6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine","2019-04-03"],["EUI","[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE","C21 H21 F3 I N3 O2","O=C(c2ccc(F)c(F)c2Nc1ccc(I)cc1F)N4CC(O)(C3NCCCC3)C4;OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[CH]4CCCCN4;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(C4CCCCN4)O","InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1","","2012-03-14","2021-03-12","{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone","2012-12-14"],["8CY","ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form","C22 H15 N2 O6 Ru S","C%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)NC(=C%12C)C(=O)O;CC1=C(N[CH](SC1)[CH](NC(=O)CCC(=O)C2([Ru])CCCC2)C(O)=O)C(O)=O.C3CCCC3;CC1=C(NC(SC1)C(C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O","InChI=1S/C17H19N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10;1-2-4-5-3-1;/h2-5,14-15,19H,6-8H2,1H3,(H,18,21)(H,22,23)(H,24,25);1-5H;/t14-,15+;;/m0../s1","","2017-01-19","2024-09-27","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methyl-3,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2017-02-08"],["EUJ","(2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate","C25 H49 O19 P3","C1(C(C(C(C(C1O)OP(O)(O)=O)O)OP(O)(O)=O)O)OP(=O)(O)OCC(COC(=O)CCCCCCC)OC(CCCCCCC)=O;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC","InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21-,22-,23-,24+,25-/m1/s1","","2018-02-01","2018-03-29","(2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate","2018-04-04"],["8CZ","N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide","C11 H16 N2 O S","O=C(N(C)C(C)C1CC1)c1scnc1C;C[CH](C1CC1)N(C)C(=O)c2scnc2C;Cc1c(scn1)C(=O)N(C)C(C)C2CC2","InChI=1S/C11H16N2OS/c1-7-10(15-6-12-7)11(14)13(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3/t8-/m0/s1","","2021-09-14","2021-09-17","N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide","2021-09-22"],["8D0","(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol","C26 H39 N O3 S","CC(C)(CCCCCCN=C=S)c1cc(O)c2[CH]3C[CH](CO)CC[CH]3C(C)(C)Oc2c1;CC1(C2CCC(CC2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C","InChI=1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1","","2017-06-12","2020-01-16","(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol","2017-07-12"],["EUK","6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine","C14 H10 Cl2 N2 S2","Nc1sc2cc(SCc3ccc(Cl)c(Cl)c3)ccc2n1;c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl","InChI=1S/C14H10Cl2N2S2/c15-10-3-1-8(5-11(10)16)7-19-9-2-4-12-13(6-9)20-14(17)18-12/h1-6H,7H2,(H2,17,18)","","2018-04-19","2019-03-29","6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine","2019-04-03"],["8D1","5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide","C18 H20 N6 O","C(NCc1c(OC)cccc1)(c3c(nn(c2cccc(C)c2)n3)N)=N;COc1ccccc1CNC(=N)c2nn(nc2N)c3cccc(C)c3;Cc1cccc(c1)n2nc(c(n2)N)C(=N)NCc3ccccc3OC","InChI=1S/C18H20N6O/c1-12-6-5-8-14(10-12)24-22-16(18(20)23-24)17(19)21-11-13-7-3-4-9-15(13)25-2/h3-10H,11H2,1-2H3,(H2,19,21)(H2,20,23)","","2017-01-19","2017-02-03","5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide","2017-02-08"],["EUL","2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide","C17 H14 Br N3 O S","Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23;c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br","InChI=1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22)","","2020-01-28","2020-06-05","2-bromanyl-~{N}-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide","2020-06-10"],["EUM","~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide","C22 H23 N5 O4 S","Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2;c1ccc(c(c1)N)NC(=O)c2ccc(cc2)NCC(=O)NCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C22H23N5O4S/c23-19-3-1-2-4-20(19)27-22(29)16-7-9-17(10-8-16)25-14-21(28)26-13-15-5-11-18(12-6-15)32(24,30)31/h1-12,25H,13-14,23H2,(H,26,28)(H,27,29)(H2,24,30,31)","N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide","2022-01-17","2023-01-20","~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide","2023-01-25"],["8D2","6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione","C15 H9 F N2 O3","Fc1ccccc1COc2ccc3C(=O)N=NC(=O)c3c2;c1ccc(c(c1)COc2ccc3c(c2)C(=O)N=NC3=O)F","InChI=1S/C15H9FN2O3/c16-13-4-2-1-3-9(13)8-21-10-5-6-11-12(7-10)15(20)18-17-14(11)19/h1-7H,8H2","","2021-10-08","2022-08-22","6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione","2022-05-11"],["EUN","2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one","C19 H15 N3 O","CC1=Nc2ccc(c(C)c2C(=O)N1)c3ccnc4ccccc34;Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4","InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)","","2018-04-19","2018-05-18","2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one","2018-05-23"],["8D3","(6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol","C25 H37 Br O2","CC1=CC[CH]2[CH](C1)c3c(O)cc(cc3OC2(C)C)C(C)(C)CCCCCCBr;CC1=CCC2C(C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O","InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1","","2017-06-12","2017-07-07","(6~{a}~{R},10~{a}~{R})-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6~{a},7,10,10~{a}-tetrahydrobenzo[c]chromen-1-ol","2017-07-12"],["EUO","6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine","C14 H14 N4 O2 S","CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3[nH]ccc3c2;CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3","InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)","","2020-01-28","2021-04-23","6-(1~{H}-indol-5-yl)-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine","2021-04-28"],["8D4","5-phenyl-1H-1,2,3-triazole-4-carboxylic acid","C9 H7 N3 O2","OC(=O)c2c(c1ccccc1)nnn2;OC(=O)c1nn[nH]c1c2ccccc2;c1ccc(cc1)c2c(nn[nH]2)C(=O)O","InChI=1S/C9H7N3O2/c13-9(14)8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,10,11,12)","","2017-01-19","2018-01-12","5-phenyl-1H-1,2,3-triazole-4-carboxylic acid","2018-01-17"],["8D5","[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[4-[2-[3-(trifluoromethyloxy)phenyl]-1,3-oxazol-5-yl]phenyl]methanone","C21 H17 F3 N2 O4","O[CH]1CCN(C1)C(=O)c2ccc(cc2)c3oc(nc3)c4cccc(OC(F)(F)F)c4;c1cc(cc(c1)OC(F)(F)F)c2ncc(o2)c3ccc(cc3)C(=O)N4CCC(C4)O","InChI=1S/C21H17F3N2O4/c22-21(23,24)30-17-3-1-2-15(10-17)19-25-11-18(29-19)13-4-6-14(7-5-13)20(28)26-9-8-16(27)12-26/h1-7,10-11,16,27H,8-9,12H2/t16-/m1/s1","","2023-07-10","2025-08-08","[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[4-[2-[3-(trifluoromethyloxy)phenyl]-1,3-oxazol-5-yl]phenyl]methanone","2025-08-13"],["EUP","4-amino-L-allothreonine","C4 H10 N2 O3","NC(C(=O)O)C(O)CN;NC[CH](O)[CH](N)C(O)=O;C(C(C(C(=O)O)N)O)N","InChI=1S/C4H10N2O3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,5-6H2,(H,8,9)/t2-,3-/m0/s1","","2018-02-01","2024-09-27","4-amino-L-allothreonine","2018-04-18"],["8D6","3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide","C10 H8 Cl N3 O","NC(=O)c1[nH]cc(c1Cl)c2ccncc2;c1cnccc1c2c[nH]c(c2Cl)C(=O)N","InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)","","2017-06-14","2017-08-04","3-chloranyl-4-pyridin-4-yl-1~{H}-pyrrole-2-carboxamide","2017-08-09"],["EUQ","2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide","C27 H31 Cl N10 O2","CCC(=O)NCCn1cc(CNCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)nn1;CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl","InChI=1S/C27H31ClN10O2/c1-3-24(39)31-12-13-38-17-20(36-37-38)15-30-14-18-8-10-19(11-9-18)33-27-32-16-22(28)25(35-27)34-23-7-5-4-6-21(23)26(40)29-2/h4-11,16-17,30H,3,12-15H2,1-2H3,(H,29,40)(H,31,39)(H2,32,33,34,35)","","2018-04-19","2019-04-26","2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide","2019-05-01"],["EUR","4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide","C19 H12 Cl3 F N4 O3","Clc3nc(nc3C(=O)NCc2ccc(Cl)c(Oc1cc(C#N)cc(Cl)c1)c2F)CO;OCc1[nH]c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)n1;c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl","InChI=1S/C19H12Cl3FN4O3/c20-11-3-9(6-24)4-12(5-11)30-17-13(21)2-1-10(15(17)23)7-25-19(29)16-18(22)27-14(8-28)26-16/h1-5,28H,7-8H2,(H,25,29)(H,26,27)","","2012-10-14","2014-09-05","4-chloro-N-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide","2013-01-04"],["8D7","(1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol","C17 H29 N O2","c1c(cccc1C(O)CCN)OCC(CCC)CCC;CCCC(CCC)COc1cccc(c1)[CH](O)CCN;CCCC(CCC)COc1cccc(c1)C(CCN)O","InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3/t17-/m1/s1","","2017-01-24","2017-05-12","(1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol","2017-05-17"],["8D8","(3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide","C11 H14 N2 O2","O=C(NC(C)C1CC1)C1C=CC=NC1=O;C[CH](NC(=O)[CH]1C=CC=NC1=O)C2CC2;CC(C1CC1)NC(=O)C2C=CC=NC2=O","InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-9H,4-5H2,1H3,(H,13,15)/t7-,9?/m1/s1","","2021-09-14","2021-09-17","(3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide","2021-09-22"],["EUS","N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide","C20 H39 N5 O9 S","CS(=O)(NC2CC(N)C(OC1OC(=CCC1N)CN)C(C2OC3C(C(C(C)(CO3)O)NC)O)O)=O;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3OC(=CC[CH]3N)CN)[CH](N)C[CH]2N[S](C)(=O)=O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)NS(=O)(=O)C)O","InChI=1S/C20H39N5O9S/c1-20(28)8-31-19(14(27)17(20)24-2)34-16-12(25-35(3,29)30)6-11(23)15(13(16)26)33-18-10(22)5-4-9(7-21)32-18/h4,10-19,24-28H,5-8,21-23H2,1-3H3/t10-,11+,12-,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1","","2018-02-01","2018-07-20","N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide","2018-07-25"],["EUT","(8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one","C18 H17 F5 N4 O2","Fc1cc(cc(F)c1)N4C3=NC(N2CCOCC2)=CC(=O)N3CCC4C(F)(F)F;Fc1cc(F)cc(c1)N2[CH](CCN3C(=O)C=C(N=C23)N4CCOCC4)C(F)(F)F;c1c(cc(cc1F)F)N2C(CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F","InChI=1S/C18H17F5N4O2/c19-11-7-12(20)9-13(8-11)27-14(18(21,22)23)1-2-26-16(28)10-15(24-17(26)27)25-3-5-29-6-4-25/h7-10,14H,1-6H2/t14-/m0/s1","","2014-08-12","2014-11-21","(8S)-9-(3,5-difluorophenyl)-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","2014-11-26"],["8DA","8-OXODEOXYADENOSINE","C10 H15 N5 O4","O=C2NC1=C(N)NCN=C1N2C3OC(C(O)C3)CO;NC1=C2NC(=O)N([CH]3C[CH](O)[CH](CO)O3)C2=NCN1;C1C(C(OC1N2C3=NCNC(=C3NC2=O)N)CO)O","InChI=1S/C10H15N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h4-6,12,16-17H,1-3,11H2,(H,14,18)/t4-,5+,6+/m1/s1","","2005-08-08","2011-06-04","6-amino-9-(2-deoxy-beta-L-erythro-pentofuranosyl)-1,2,7,9-tetrahydro-8H-purin-8-one",""],["8DB","6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione","C13 H8 N2 O3 S","O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12;c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O","InChI=1S/C13H8N2O3S/c16-12-10-4-3-8(6-11(10)13(17)15-14-12)18-7-9-2-1-5-19-9/h1-6H,7H2","","2021-10-08","2022-08-22","6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione","2022-05-11"],["EUU","6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine","C21 H29 N5 O2 S","CCCNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3n(CCCN(C)C)ccc3c2;CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C","InChI=1S/C21H29N5O2S/c1-5-10-22-20-15-18(23-21(24-20)29(4,27)28)16-7-8-19-17(14-16)9-13-26(19)12-6-11-25(2)3/h7-9,13-15H,5-6,10-12H2,1-4H3,(H,22,23,24)","","2020-01-28","2021-04-23","6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-~{N}-propyl-pyrimidin-4-amine","2021-04-28"],["8DD","8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate","C10 H15 N5 O10 P2","Nc1ncnc2N([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)Nc12;c1nc(c2c(n1)N(C(=O)N2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H15N5O10P2/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1","","2010-01-09","2011-06-04","[(2R,3S,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",""],["EUW","2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide","C28 H29 Cl N8 O4","CCC(=O)NCCNC1=C(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C(=O)C1=O;CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl","InChI=1S/C28H29ClN8O4/c1-3-21(38)31-12-13-32-22-23(25(40)24(22)39)33-14-16-8-10-17(11-9-16)35-28-34-15-19(29)26(37-28)36-20-7-5-4-6-18(20)27(41)30-2/h4-11,15,32-33H,3,12-14H2,1-2H3,(H,30,41)(H,31,38)(H2,34,35,36,37)","","2018-04-19","2024-09-27","2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide","2019-05-01"],["EUX","N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine","C31 H34 F3 N9 O3 S","CC(C)n1c2cc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)ncc2c6c(OCC(F)(F)F)cc(cc16)N7CCN(C)CC7;CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C","InChI=1S/C31H34F3N9O3S/c1-19(2)43-24-14-28(38-27-6-7-35-30(39-27)20-15-37-42(17-20)47(44,45)22-4-5-22)36-16-23(24)29-25(43)12-21(41-10-8-40(3)9-11-41)13-26(29)46-18-31(32,33)34/h6-7,12-17,19,22H,4-5,8-11,18H2,1-3H3,(H,35,36,38,39)","","2020-01-29","2020-10-02","~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine","2020-10-07"],["8DE","2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide","C23 H19 N3 O3 S2","O=C(Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2)C(c3ccccc3)c4ccccc4;c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4","InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)","","2021-12-08","2022-04-01","2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide","2022-04-06"],["8DG","8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O;NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1;C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1","","2004-12-16","2011-06-04","2'-deoxy-8-oxoguanosine 5'-(tetrahydrogen triphosphate)",""],["EUY","(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide","C19 H21 N5 O5 S","C3(C=C(c1ccc(cc1)n2nccn2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O;C[C](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)[S](C)(=O)=O;CC(CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C19H21N5O5S/c1-19(18(26)22-27,30(2,28)29)8-12-23-11-7-15(13-17(23)25)14-3-5-16(6-4-14)24-20-9-10-21-24/h3-7,9-11,13,27H,8,12H2,1-2H3,(H,22,26)/t19-/m1/s1","","2018-02-02","2019-02-08","(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide","2019-02-13"],["EV0","2-amino-6-propylpyrimidin-4(3H)-one","C7 H11 N3 O","O=C1C=C(N=C(N)N1)CCC;CCCC1=CC(=O)NC(=N1)N;CCCC1=CC(=O)NC(=N1)N","InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)","","2009-06-18","2011-06-04","2-amino-6-propylpyrimidin-4(3H)-one",""],["8DH","N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide","C8 H17 N3 O3 S","O=C1CN(CCN1)S(=O)(=O)N(C)C(C)C;CC(C)N(C)[S](=O)(=O)N1CCNC(=O)C1;CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1","InChI=1S/C8H17N3O3S/c1-7(2)10(3)15(13,14)11-5-4-9-8(12)6-11/h7H,4-6H2,1-3H3,(H,9,12)","","2021-09-14","2021-09-17","N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide","2021-09-22"],["8DI","N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide","C17 H16 F N3 O2 S","Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4;c1ccc(c(c1)F)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4","InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20)","N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide","2021-10-08","2023-05-12","~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide","2023-05-17"],["EV1","1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE","C20 H21 N O4","O(c1ccc(cc1OC)Cc3nccc2cc(OC)c(OC)cc23)C;COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC;COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC","InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3","Papaverine","2009-04-02","2022-10-26","1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline",""],["8DJ","5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide","C26 H26 F N3 O4","O=C(c1c(ccc(c1)C2CCNCC2COc3ccc4c(c3)OCO4)F)NCc5ncccc5;Fc1ccc(cc1C(=O)NCc2ccccn2)[CH]3CCNC[CH]3COc4ccc5OCOc5c4;c1ccnc(c1)CNC(=O)c2cc(ccc2F)C3CCNCC3COc4ccc5c(c4)OCO5","InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1","","2017-01-24","2017-03-28","5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide","2017-04-02"],["EV2","3-pyrrolidin-1-ylquinoxalin-2-amine","C12 H14 N4","n1c3ccccc3nc(c1N2CCCC2)N;Nc1nc2ccccc2nc1N3CCCC3;c1ccc2c(c1)nc(c(n2)N3CCCC3)N","InChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)","","2009-06-18","2011-06-04","3-pyrrolidin-1-ylquinoxalin-2-amine",""],["8DK","N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanamide","C22 H20 N6 O4","Cc1ccc(cc1C)n2nnc3C(=O)N(CC(=O)NCc4ccc5OCOc5c4)C=Nc23;Cc1ccc(cc1C)n2c3c(nn2)C(=O)N(C=N3)CC(=O)NCc4ccc5c(c4)OCO5","InChI=1S/C22H20N6O4/c1-13-3-5-16(7-14(13)2)28-21-20(25-26-28)22(30)27(11-24-21)10-19(29)23-9-15-4-6-17-18(8-15)32-12-31-17/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)","","2022-03-08","2023-03-03","~{N}-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanamide","2023-03-08"],["EV3","3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol","C10 H12 Cl N3 O","Clc1cc2nc(N)n(c2cc1)CCCO;Nc1nc2cc(Cl)ccc2n1CCCO;c1cc2c(cc1Cl)nc(n2CCCO)N","InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)","","2010-06-18","2011-06-04","3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol",""],["EV4","4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide","C18 H25 Cl N4 O","Clc1cc2nc(N)n(c2cc1)CCCC(=O)N(C3CCCCC3)C;CN(C1CCCCC1)C(=O)CCCn2c(N)nc3cc(Cl)ccc23;CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl","InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21)","","2010-05-04","2011-06-04","4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide",""],["8DM","N-(4-aminobenzene-1-carbonyl)-L-glutamic acid","C12 H14 N2 O5","c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N;Nc1ccc(cc1)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N","InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1","","2017-01-25","2017-11-17","N-(4-aminobenzene-1-carbonyl)-L-glutamic acid","2017-11-22"],["EV5","(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide","C19 H27 Cl N4 O","O=C(NCC1CCCCC1)CC(n2c3ccc(Cl)cc3nc2N)CC;CC[CH](CC(=O)NCC1CCCCC1)n2c(N)nc3cc(Cl)ccc23;CCC(CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl","InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1","","2010-05-04","2011-06-04","(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide",""],["8DN","1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole","C11 H13 N3","Cc1cc(C)cc(c1)n1cc(C)nn1;Cc1cc(C)cc(c1)n2cc(C)nn2;Cc1cc(cc(c1)n2cc(nn2)C)C","InChI=1S/C11H13N3/c1-8-4-9(2)6-11(5-8)14-7-10(3)12-13-14/h4-7H,1-3H3","","2021-09-14","2024-09-27","1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole","2021-11-03"],["EV6","(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide","C22 H29 Cl N4 O","O=C(NC3C1CC2CC(C1)CC3C2)CC(n4c5ccc(Cl)cc5nc4N)CC;CC[CH](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c(N)nc5cc(Cl)ccc45;CCC(CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl","InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,12-15,17,21H,2,5-9,11H2,1H3,(H2,24,25)(H,26,28)/t12-,13+,14-,15+,17-,21-/m0/s1","","2010-05-03","2011-08-31","(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide",""],["8DP","8-demethyl-8-aminoriboflavin-5'-phosphate","C16 H19 N5 O9 P","Cc1cc2nc3C(=O)NC(=O)Nc3[n+](CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1N;Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)C(C(COP(=O)(O)O)O)O","InChI=1S/C16H18N5O9P/c1-6-2-8-9(3-7(6)17)21(14-12(18-8)15(25)20-16(26)19-14)4-10(22)13(24)11(23)5-30-31(27,28)29/h2-3,11,13,23-24H,4-5H2,1H3,(H5,17,19,20,25,26,27,28,29)/p+1/t11-,13+/m0/s1","","2016-12-06","2017-12-15","[(2~{S},3~{S})-5-[8-azanyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] dihydrogen phosphate","2017-12-20"],["EV7","2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid","C20 H14 N2 O3","c1cc(cc(C(O)=O)c1Oc2ccc3ccccc3c2)c4cnnc4;OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4;c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4","InChI=1S/C20H14N2O3/c23-20(24)18-10-15(16-11-21-22-12-16)6-8-19(18)25-17-7-5-13-3-1-2-4-14(13)9-17/h1-12H,(H,21,22)(H,23,24)","","2018-02-02","2018-03-29","2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid","2018-04-04"],["8DQ","8-phenyl-2-piperazin-1-yl-chromen-4-one","C19 H18 N2 O2","O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4;O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4;c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4","InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2","","2013-11-19","2014-09-05","8-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one","2014-01-15"],["EV8","methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate","C23 H24 N4 O4 S","COC(=O)C1CCN(CC1)C(=O)c2ccc(CNC(=O)c3ccc4nc(N)sc4c3)cc2;COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N","InChI=1S/C23H24N4O4S/c1-31-22(30)16-8-10-27(11-9-16)21(29)15-4-2-14(3-5-15)13-25-20(28)17-6-7-18-19(12-17)32-23(24)26-18/h2-7,12,16H,8-11,13H2,1H3,(H2,24,26)(H,25,28)","","2018-04-20","2019-03-29","methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate","2019-04-03"],["8DR","(S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid","C17 H19 N7 O5 S3","O=C(O)C(NC(=O)c1sccc1NS(=O)(=O)c2cccc3nsnc23)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NC(=O)c1sccc1N[S](=O)(=O)c2cccc3nsnc23)C(O)=O;c1cc2c(c(c1)S(=O)(=O)Nc3ccsc3C(=O)NC(CCCNC(=N)N)C(=O)O)nsn2","InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1","(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid","2009-07-14","2020-06-17","N~2~-({3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]thiophen-2-yl}carbonyl)-L-arginine",""],["8DS","4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide","C16 H12 Cl2 N2 O S","Clc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1;c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl","InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)5-6-20-16(21)14-7-12-13(18)8-19-9-15(12)22-14/h1-4,7-9H,5-6H2,(H,20,21)","","2021-10-08","2022-08-22","4-chloranyl-~{N}-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide","2021-10-20"],["EV9","[(2~{R})-3-[[(2~{S})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate","C44 H87 N2 O11 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)COC(=O)[CH](N)CCCCN)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COC(=O)C(CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C44H87N2O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-42(48)53-37-40(57-43(49)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-56-58(51,52)55-36-39(47)35-54-44(50)41(46)31-29-30-34-45/h39-41,47H,3-38,45-46H2,1-2H3,(H,51,52)/t39-,40+,41-/m0/s1","","2020-02-04","2021-01-29","[(2~{R})-3-[[(2~{S})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate","2021-02-03"],["EVA","(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid","C6 H9 N O6","O=C(O)C1NC(=O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](NC(=O)[CH]1O)C(O)=O;C1(C(C(NC(=O)C1O)C(=O)O)O)O","InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)/t1-,2+,3-,4+/m0/s1","","2009-10-08","2011-06-04","(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid",""],["8DT","5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine","C14 H20 N3 O9 P","CC(=O)NCC=CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC(=O)NCC=CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C14H20N3O9P/c1-8(18)15-4-2-3-9-6-17(14(21)16-13(9)20)12-5-10(19)11(26-12)7-25-27(22,23)24/h2-3,6,10-12,19H,4-5,7H2,1H3,(H,15,18)(H,16,20,21)(H2,22,23,24)/b3-2+/t10-,11+,12+/m0/s1","","2016-09-12","2016-09-16","[(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-acetamidoprop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2016-09-21"],["EVB","sulfonato-calix[8]arene","C56 H48 O32 S8","Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)[S](O)(=O)=O)c9O)[S](O)(=O)=O)c8O)[S](O)(=O)=O)c7O)[S](O)(=O)=O)c6O)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O","InChI=1S/C56H48O32S8/c57-49-25-1-26-10-42(90(68,69)70)12-28(50(26)58)3-30-14-44(92(74,75)76)16-32(52(30)60)5-34-18-46(94(80,81)82)20-36(54(34)62)7-38-22-48(96(86,87)88)24-40(56(38)64)8-39-23-47(95(83,84)85)21-37(55(39)63)6-35-19-45(93(77,78)79)17-33(53(35)61)4-31-15-43(91(71,72)73)13-29(51(31)59)2-27(49)11-41(9-25)89(65,66)67/h9-24,57-64H,1-8H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)","","2018-04-23","2018-08-24","","2018-08-29"],["8DU","N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide","C20 H17 Cl N2 O5","COc1ccc(cc1)c2c(NC(=O)C3CC3)onc2c4cc(Cl)c(O)cc4O;COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl","InChI=1S/C20H17ClN2O5/c1-27-12-6-4-10(5-7-12)17-18(13-8-14(21)16(25)9-15(13)24)23-28-20(17)22-19(26)11-2-3-11/h4-9,11,24-25H,2-3H2,1H3,(H,22,26)","","2017-06-15","2018-06-29","~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide","2018-07-04"],["EVC","N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide","C28 H39 N9 O4 S","CCN[S](=O)(=O)c1ccccc1Nc2ncnc(Nc3ccc(N4CCN(C)CC4)c(OCCN5CCOCC5)c3)n2;CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C","InChI=1S/C28H39N9O4S/c1-3-31-42(38,39)26-7-5-4-6-23(26)33-28-30-21-29-27(34-28)32-22-8-9-24(37-12-10-35(2)11-13-37)25(20-22)41-19-16-36-14-17-40-18-15-36/h4-9,20-21,31H,3,10-19H2,1-2H3,(H2,29,30,32,33,34)","","2020-02-05","2020-04-03","~{N}-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide","2020-04-08"],["8DV","(R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine","C23 H26 N4 O3 S","C1(C)COCCN1c6cc(C3(S(=O)(=O)C2CC2)CC3)nc(c4c5c(ccc4)ncc5)n6;C[CH]1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)[S](=O)(=O)C6CC6;CC1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6","InChI=1S/C23H26N4O3S/c1-15-14-30-12-11-27(15)21-13-20(23(8-9-23)31(28,29)16-5-6-16)25-22(26-21)18-3-2-4-19-17(18)7-10-24-19/h2-4,7,10,13,15-16,24H,5-6,8-9,11-12,14H2,1H3/t15-/m1/s1","4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole","2017-01-26","2020-06-17","4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole","2017-06-14"],["EVD","1-benzofuran-2-sulfonamide","C8 H7 N O3 S","O=S(=O)(c2oc1ccccc1c2)N;N[S](=O)(=O)c1oc2ccccc2c1;c1ccc2c(c1)cc(o2)S(=O)(=O)N","InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)","","2011-06-03","2011-10-14","1-benzofuran-2-sulfonamide",""],["8DW","5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine","C22 H19 F N4 O5 S","COc1ccc(O[S](F)(=O)=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C;CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4cc(ccc4OC)OS(=O)(=O)F","InChI=1S/C22H19FN4O5S/c1-27(2)22(28)15-6-13(9-24-10-15)14-7-18-19(12-26-21(18)25-11-14)17-8-16(32-33(23,29)30)4-5-20(17)31-3/h4-12H,1-3H3,(H,25,26)","","2021-12-09","2022-04-22","5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1~{H}-pyrrolo[2,3-b]pyridine","2022-04-27"],["EVE","1H-benzimidazole-2-sulfonamide","C7 H7 N3 O2 S","O=S(=O)(c2nc1ccccc1n2)N;N[S](=O)(=O)c1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N","InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)","","2011-06-03","2011-10-14","1H-benzimidazole-2-sulfonamide",""],["8DX","(2R,3aR,6S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid","C11 H17 N O7","O=C(O)C(N)CC2(OC1C(OCC(O)C1)C2)C(=O)O;N[CH](C[C]1(C[CH]2OC[CH](O)C[CH]2O1)C(O)=O)C(O)=O;C1C(COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O)O","InChI=1S/C11H17NO7/c12-6(9(14)15)2-11(10(16)17)3-8-7(19-11)1-5(13)4-18-8/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6-,7+,8+,11+/m0/s1","","2009-01-20","2011-06-04","(2R,3aR,6S,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)",""],["EVF","1,3-benzothiazole-2-sulfonamide","C7 H6 N2 O2 S2","O=S(=O)(c1nc2ccccc2s1)N;N[S](=O)(=O)c1sc2ccccc2n1;c1ccc2c(c1)nc(s2)S(=O)(=O)N","InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)","","2011-06-03","2011-12-16","1,3-benzothiazole-2-sulfonamide",""],["8DY","3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide","C22 H25 N5 O3 S","C(C)(CN(C)C)S(=O)(=O)c3ccc(c1cnc(c(n1)C(=O)Nc2ccccc2)N)cc3;C[CH](CN(C)C)[S](=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3;CC(CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N","InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)/t15-/m0/s1","","2017-01-26","2017-05-05","3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide","2017-05-10"],["EVG","furan-2-sulfonamide","C4 H5 N O3 S","O=S(=O)(N)c1occc1;N[S](=O)(=O)c1occc1;c1cc(oc1)S(=O)(=O)N","InChI=1S/C4H5NO3S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)","","2011-06-03","2011-10-14","furan-2-sulfonamide",""],["8DZ","(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)","C31 H44 N2 O10","COc3cc(C(OCCCN2CCCN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CC2)=O)cc(c3OC)OC;COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2;COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3","","2019-03-21","2019-06-28","(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)","2019-07-03"],["EVH","1H-imidazole-2-sulfonamide","C3 H5 N3 O2 S","O=S(=O)(N)c1nccn1;N[S](=O)(=O)c1[nH]ccn1;c1cnc([nH]1)S(=O)(=O)N","InChI=1S/C3H5N3O2S/c4-9(7,8)3-5-1-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)","","2011-06-03","2011-10-14","1H-imidazole-2-sulfonamide",""],["8E1","4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide","C16 H12 N4 O3 S2","c1cc(ccc1S(=O)(=O)N)NC=C4c2c(ccc3ncsc23)NC4=O;N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1;c1cc(ccc1NC=C2c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N","InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-","","2017-01-26","2017-03-24","4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide","2017-03-29"],["8E2","Preladenant conjugate PSB-2113","C38 H52 N10 O9","CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3ncc4c3nc(N)n5nc(nc45)c6occc6;CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6","InChI=1S/C38H52N10O9/c1-38(2,3)57-33(50)27-54-24-23-53-22-21-52-20-19-51-18-10-40-32(49)26-56-29-8-6-28(7-9-29)46-14-11-45(12-15-46)13-16-47-35-30(25-41-47)36-42-34(31-5-4-17-55-31)44-48(36)37(39)43-35/h4-9,17,25H,10-16,18-24,26-27H2,1-3H3,(H2,39,43)(H,40,49)","~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate","2021-10-09","2022-08-22","~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate","2022-03-02"],["EVI","1,3-thiazole-2-sulfonamide","C3 H4 N2 O2 S2","O=S(=O)(N)c1nccs1;N[S](=O)(=O)c1sccn1;c1csc(n1)S(=O)(=O)N","InChI=1S/C3H4N2O2S2/c4-9(6,7)3-5-1-2-8-3/h1-2H,(H2,4,6,7)","","2011-06-03","2011-10-14","1,3-thiazole-2-sulfonamide",""],["8E3","6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide","C15 H13 F N4 O2","NC(=O)c1cc(F)cc2[nH]c(nc12)c3oc4CNCCc4c3;c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F","InChI=1S/C15H13FN4O2/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)","","2017-06-20","2018-04-20","6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide","2018-04-25"],["EVJ","thiophene-2-sulfonamide","C4 H5 N O2 S2","O=S(=O)(N)c1sccc1;N[S](=O)(=O)c1sccc1;c1cc(sc1)S(=O)(=O)N","InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)","","2011-06-03","2011-10-14","thiophene-2-sulfonamide",""],["EVK","4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide","C21 H22 Cl2 N4 O2","CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[CH](CO)c3cccc(Cl)c3;CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)NC(CO)c3cccc(c3)Cl","InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1","","2018-04-25","2018-05-25","4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide","2018-05-30"],["8E4","(3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol","C16 H27 N O3","C(CC(CCO)COc1cccc(c1)C(CCN)O)C;CCC[CH](CCO)COc1cccc(c1)[CH](O)CCN;CCCC(CCO)COc1cccc(c1)C(CCN)O","InChI=1S/C16H27NO3/c1-2-4-13(8-10-18)12-20-15-6-3-5-14(11-15)16(19)7-9-17/h3,5-6,11,13,16,18-19H,2,4,7-10,12,17H2,1H3/t13-,16+/m0/s1","","2017-01-26","2017-05-12","(3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol","2017-05-17"],["8E6","6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide","C15 H13 F N4 O S","NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CCNCc4c3;c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F","InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)12-3-7-6-18-2-1-11(7)22-12/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)","","2017-06-20","2018-04-20","6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide","2018-04-25"],["EVL","N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide","C28 H39 N9 O3 S","CCN[S](=O)(=O)c1ccccc1Nc2ncnc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)n2;CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C","InChI=1S/C28H39N9O3S/c1-4-31-41(38,39)26-8-6-5-7-23(26)33-28-30-20-29-27(34-28)32-21-9-10-24(25(19-21)40-3)37-13-11-22(12-14-37)36-17-15-35(2)16-18-36/h5-10,19-20,22,31H,4,11-18H2,1-3H3,(H2,29,30,32,33,34)","","2020-02-05","2020-04-03","~{N}-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide","2020-04-08"],["EVM","L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]","C11 H14 N2 O8 P","C(O)(=O)[C-](N=Cc1c(c(ncc1COP(O)(O)=O)C)O)CO;Cc1ncc(CO[P](O)(O)=O)c(C=N[C-](CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C-](CO)C(=O)O)O","InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+","","2018-02-02","2018-04-20","1-carboxy-2-hydroxy-1-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethan-1-ide","2018-04-25"],["8E7","2-(decylamino)ethane-1-thiol","C12 H27 N S","CCCCCCCCCCNCCS;CCCCCCCCCCNCCS;CCCCCCCCCCNCCS","InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3","","2017-01-27","2024-09-27","2-(decylamino)ethane-1-thiol","2017-06-14"],["8E8","1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C25 H26 N6 O2","CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N","InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1","Ibrutinib (bound form)","2016-10-20","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2017-05-24"],["EVN","(2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'\nR,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox\ny)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-\nyl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,\n6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)","C70 H97 Cl2 N O38","Cc1cc(O)cc(O)c1C(OC2COC4(C3C2OCO3)OC5C(O4)C(C(OC5)OC6C(OC)C(O)C(C(O6)COC)OC7C(O)C(C(C(O7)C)OC)OC8C(O)C9(C(C(O8)C)OC%10(O9)OC(C)C(C(C%10)O)OC%11OC(C)C(C(C%11)OC%12OC(C)C(C(C%12)(C)[N+]([O-])=O)OC)OC(c%13c(c(c(c(c%13C)Cl)O)Cl)OC)=O)C)O)=O;COC[CH]1O[CH](O[CH]2OC[CH]3O[C]4(OC[CH](OC(=O)c5c(C)cc(O)cc5O)[CH]6OCO[CH]46)O[CH]3[CH]2O)[CH](OC)[CH](O)[CH]1O[CH]7O[CH](C)[CH](OC)[CH](O[CH]8O[CH](C)[CH]9O[C]%10(C[CH](O)[CH](O[CH]%11C[CH](O[CH]%12C[C](C)([CH](OC)[CH](C)O%12)[N+]([O-])=O)[CH](OC(=O)c%13c(C)c(Cl)c(O)c(Cl)c%13OC)[CH](C)O%11)[CH](C)O%10)O[C]9(C)[CH]8O)[CH]7O;Cc1cc(cc(c1C(=O)OC2COC3(C4C2OCO4)OC5COC(C(C5O3)O)OC6C(C(C(C(O6)COC)OC7C(C(C(C(O7)C)OC)OC8C(C9(C(C(O8)C)OC1(O9)CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O","InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39-,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1","Evernimicin","2016-06-28","2020-06-17","(2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)","2016-08-17"],["EVO","(3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one","C14 H10 N2 O","O=C2C(c1c(cccc1)N2)=[C@H]c3cnccc3;O=C1Nc2ccccc2C1=Cc3cccnc3;c1ccc2c(c1)C(=Cc3cccnc3)C(=O)N2","InChI=1S/C14H10N2O/c17-14-12(8-10-4-3-7-15-9-10)11-5-1-2-6-13(11)16-14/h1-9H,(H,16,17)/b12-8+","","2015-07-24","2016-01-29","(3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one","2016-02-03"],["8E9","1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE","C21 H16 N2 O5 S","O=S(=O)(O)c3cc(c2C(=O)c1ccccc1C(=O)c2c3N)Nc4cc(ccc4)C;Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)[S](O)(=O)=O)c1;Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O","InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)","","2013-10-29","2014-04-16","1-amino-4-[(3-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","2014-02-12"],["8EA","N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine","C19 H32 Cl N S2","C(CCCCCCCC)CNCCSSCc1ccc(cc1)Cl;CCCCCCCCCCNCCSSCc1ccc(Cl)cc1;CCCCCCCCCCNCCSSCc1ccc(cc1)Cl","InChI=1S/C19H32ClNS2/c1-2-3-4-5-6-7-8-9-14-21-15-16-22-23-17-18-10-12-19(20)13-11-18/h10-13,21H,2-9,14-17H2,1H3","","2017-01-27","2017-06-09","N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine","2017-06-14"],["EVP","(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol\n-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside","C29 H32 O13","O=C1OCC7C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C7OC6OC5C(OC(OC5)C)C(O)C6O;COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](O[CH]4O[CH]5CO[CH](C)O[CH]5[CH](O)[CH]4O)c6cc7OCOc7cc26;CC1OCC2C(O1)C(C(C(O2)OC3c4cc5c(cc4C(C6C3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O","InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1","Etoposide; VP-16","2011-03-23","2020-06-17","(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside",""],["8EB","[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate","C10 H15 N5 O9 P2 Se","NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(O)=O)O3)c2N1;c1nc2c(n1C3CC(C(O3)COP(=O)(OP(=O)(O)O)[SeH])O)NC(=NC2=O)N","InChI=1S/C10H15N5O9P2Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(23-6)2-22-26(21,27)24-25(18,19)20/h3-6,16H,1-2H2,(H,21,27)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,26+/m0/s1","","2023-03-28","2024-01-05","[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate","2024-01-10"],["EVQ","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide","C28 H30 Cl N5 O4","COc1cccc(c1)[CH](C)NC(=O)CN2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl;CC(c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C28H30ClN5O4/c1-17(18-4-3-5-22(12-18)37-2)31-25(35)16-34-15-20-7-6-19(13-23(20)27(34)36)26-24(29)14-30-28(33-26)32-21-8-10-38-11-9-21/h3-7,12-14,17,21H,8-11,15-16H2,1-2H3,(H,31,35)(H,30,32,33)/t17-/m1/s1","","2018-04-25","2018-05-25","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide","2018-05-30"],["8EC","6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide","C15 H13 F N4 O S","NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CNCCc4c3;c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F","InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)","","2017-06-20","2018-04-20","6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide","2018-04-25"],["EVR","2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide","C39 H52 N8 O5 S","CCN[S](=O)(=O)c1ccccc1Nc2nc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)ncc2CCc6cc(OC)cc(OC)c6;CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC","InChI=1S/C39H52N8O5S/c1-6-41-53(48,49)37-10-8-7-9-34(37)43-38-29(12-11-28-23-32(50-3)26-33(24-28)51-4)27-40-39(44-38)42-30-13-14-35(36(25-30)52-5)47-17-15-31(16-18-47)46-21-19-45(2)20-22-46/h7-10,13-14,23-27,31,41H,6,11-12,15-22H2,1-5H3,(H2,40,42,43,44)","","2020-02-05","2020-04-03","2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-ethyl-benzenesulfonamide","2020-04-08"],["8EF","2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate","C12 H20 N4 O7 P2 S","Cc1ncc(CN2CS[CH](CCO[P](O)(=O)O[P](O)(O)=O)C2=C)c(N)n1;Cc1ncc(c(n1)N)CN2CSC(C2=C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,1,3-4,6-7H2,2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)/t11-/m0/s1","","2017-06-20","2018-04-20","2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate","2018-04-25"],["EVS","16-epi-Vellosimine","C19 H20 N2 O","O=CC4C5C(=C/C)CN3C(c2nc1ccccc1c2CC34)C5;CC=C1CN2[CH]3Cc4c([nH]c5ccccc45)[CH]2C[CH]1[CH]3C=O;CC=C1CN2C3Cc4c5ccccc5[nH]c4C2CC1C3C=O","InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1","","2009-04-09","2011-06-04","(16S,19E)-sarpagan-17-al",""],["EVT","(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid","C26 H46 N2 O8","CCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C26H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27-20(25(33)34)16-18-23(30)28-21(26(35)36)17-19-24(31)32/h20-21H,2-19H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,35,36)/t20-,21-/m0/s1","","2018-04-25","2024-09-27","(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid","2018-06-20"],["8EH","(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide","C24 H27 N7 O5 S","COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4;Cc1cccc(n1)c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C(c4ncc(cn4)C)O","InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1","","2021-12-09","2022-07-22","(1~{R},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide","2022-07-27"],["EVU","4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one","C17 H19 N3 O","NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3;c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3","InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21)","","2020-02-06","2020-04-24","4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one","2020-04-29"],["8EI","(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate","C20 H20 Cl F N6 O3","Cn1cnc(COC(=O)NC2CCc3c2cn(C)c3C(=O)Nc2ccc(F)c(Cl)c2)n1;Cn1cnc(COC(=O)N[CH]2CCc3c2cn(C)c3C(=O)Nc4ccc(F)c(Cl)c4)n1;Cn1cc2c(c1C(=O)Nc3ccc(c(c3)Cl)F)CCC2NC(=O)OCc4ncn(n4)C","InChI=1S/C20H20ClFN6O3/c1-27-8-13-12(18(27)19(29)24-11-3-5-15(22)14(21)7-11)4-6-16(13)25-20(30)31-9-17-23-10-28(2)26-17/h3,5,7-8,10,16H,4,6,9H2,1-2H3,(H,24,29)(H,25,30)/t16-/m0/s1","","2021-09-16","2022-04-29","(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate","2022-05-04"],["8EJ","6-methylpyridine-3-carboxamide","C7 H8 N2 O","Cc1ccc(cn1)C(N)=O;Cc1ccc(cn1)C(=O)N","InChI=1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)","","2017-01-31","2017-03-10","6-methylpyridine-3-carboxamide","2017-03-15"],["EVV","N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid","C30 H40 N4 O11","C(C(CC)N(O)C=O)(CCCCC)C(NCNC(=O)c1ccc(o1)c2ccc(C(=O)NC(C(O)=O)CC(=O)O)c(c2)OCC)=O;CCCCC[CH]([CH](CC)N(O)C=O)C(=O)NCNC(=O)c1oc(cc1)c2ccc(C(=O)N[CH](CC(O)=O)C(O)=O)c(OCC)c2;CCCCCC(C(CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1","","2018-02-05","2018-08-03","N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid","2018-08-08"],["8EK","2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid","C18 H13 N3 O3 S2","OC(=O)Cc1cccc(CSC2=NC(=C(C#N)C(=O)N2)c3sccc3)c1;c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O","InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)","","2021-10-09","2022-08-22","2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1~{H}-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid","2022-04-20"],["EVW","2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide","C21 H17 N3 O S","Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4;c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N","InChI=1S/C21H17N3OS/c22-21-23-17-12-11-16(13-18(17)26-21)20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,22,23)(H,24,25)","","2018-04-25","2019-03-29","2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide","2019-04-03"],["EVY","(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide","C20 H37 N O3","CCCCCCCCC(CCCCCC)C(=O)NC1C(OCC1)=O;CCCCCCCC[CH](CCCCCC)C(=O)N[CH]1CCOC1=O;CCCCCCCCC(CCCCCC)C(=O)NC1CCOC1=O","InChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(22)21-18-15-16-24-20(18)23/h17-18H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m0/s1","","2018-02-05","2018-02-23","(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide","2018-02-28"],["8EL","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","C12 H20 N4 O7 P2 S","Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1;Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)","","2017-06-20","2018-04-20","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","2018-04-25"],["EVZ","methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate","C22 H23 N3 O3 S2","COC(=O)C1CCN(CC1)C(=O)c2ccc(CSc3ccc4nc(N)sc4c3)cc2;COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N","InChI=1S/C22H23N3O3S2/c1-28-21(27)16-8-10-25(11-9-16)20(26)15-4-2-14(3-5-15)13-29-17-6-7-18-19(12-17)30-22(23)24-18/h2-7,12,16H,8-11,13H2,1H3,(H2,23,24)","","2018-04-26","2019-03-29","methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate","2019-04-03"],["8EM","N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide","C37 H31 N7 O3","N4(Cc1ccc(cc1)c2c(cccc2)c3nnnn3)C(=Nc5ccc(cc5C4=O)N(C(c6ccccc6)=O)Cc7occc7)CCC;CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6occc6)C(=O)c7ccccc7;CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7","InChI=1S/C37H31N7O3/c1-2-9-34-38-33-20-19-28(43(24-29-12-8-21-47-29)36(45)27-10-4-3-5-11-27)22-32(33)37(46)44(34)23-25-15-17-26(18-16-25)30-13-6-7-14-31(30)35-39-41-42-40-35/h3-8,10-22H,2,9,23-24H2,1H3,(H,39,40,41,42)","","2017-02-01","2017-03-31","N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide","2017-04-05"],["8EN","~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide","C24 H19 F3 N4 O2","CC(=O)Nc1cn2cc(ccc2n1)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C;Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)","","2017-01-30","2017-11-10","~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide","2017-11-15"],["EW0","7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide","C24 H22 Cl N3 O5 S","COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C;Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC","InChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)","","2020-02-07","2020-05-08","7-chloranyl-4-[(3-methoxyphenyl)amino]-~{N}-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide","2020-05-13"],["EW1","[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl\n)-1H-pyrrol-3-yl]methanone","C28 H37 N7 O","c65ncn(C1CN(C1)C(c4cn(CC2CCN(CC2)C3CCCCC=C3)cc4)=O)c5cc(nc6N)C;Cc1cc2n(cnc2c(N)n1)[CH]3CN(C3)C(=O)c4ccn(C[CH]5CCN(CC5)[CH]6CCCCC=C6)c4;Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)C6CCCCC=C6","InChI=1S/C28H37N7O/c1-20-14-25-26(27(29)31-20)30-19-35(25)24-17-34(18-24)28(36)22-10-11-32(16-22)15-21-8-12-33(13-9-21)23-6-4-2-3-5-7-23/h4,6,10-11,14,16,19,21,23-24H,2-3,5,7-9,12-13,15,17-18H2,1H3,(H2,29,31)/t23-/m0/s1","MTF1497","2018-02-05","2020-06-17","[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone","2018-03-14"],["8EO","2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate","C12 H21 N4 O7 P2 S","Cc1ncc(C[N+]2=C(C)[CH](CCO[P](O)(=O)O[P](O)(O)=O)SC2)c(N)n1;Cc1ncc(c(n1)N)C[N+]2=C(C(SC2)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,3-4,6-7H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1/t11-/m0/s1","","2017-06-20","2018-04-20","2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate","2018-04-25"],["8EP","(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid","C11 H17 N O8","O=C(O)C(N)CC2(OC1C(OCC(O)C1O)C2)C(=O)O;N[CH](C[C]1(C[CH]2OC[CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O;C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O","InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7-,8-,11+/m0/s1","","2009-01-21","2011-06-04","(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)",""],["EW2","2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole","C21 H16 Cl N5","Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5;c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5","InChI=1S/C21H16ClN5/c22-21-19(17-8-4-5-9-18(17)24-21)20-15(12-26-11-10-23-14-26)13-27(25-20)16-6-2-1-3-7-16/h1-11,13-14,24H,12H2","","2018-04-27","2019-08-02","2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole","2019-08-07"],["EW3","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C9 H14 F N2 O8 P","O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O;C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C9H14FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h4,6-8,14H,1-3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2020-02-10","2021-06-04","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-06-09"],["8EQ","3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid","C12 H12 Cl N O5","CCOc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl;CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O","InChI=1S/C12H12ClNO5/c1-2-18-9-6-10-8(5-7(9)13)14(12(17)19-10)4-3-11(15)16/h5-6H,2-4H2,1H3,(H,15,16)","","2017-01-31","2017-04-14","3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid","2017-04-19"],["8ES","N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide","C36 H29 N7 O2 S","N4(C(c3c(ccc(N(C(=O)c1cccs1)Cc2ccccc2)c3)N=C4CC)=O)Cc7ccc(c6ccccc6c5nnnn5)cc7;CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7sccc7;CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7","InChI=1S/C36H29N7O2S/c1-2-33-37-31-19-18-27(42(22-24-9-4-3-5-10-24)36(45)32-13-8-20-46-32)21-30(31)35(44)43(33)23-25-14-16-26(17-15-25)28-11-6-7-12-29(28)34-38-40-41-39-34/h3-21H,2,22-23H2,1H3,(H,38,39,40,41)","","2017-02-01","2017-03-31","N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide","2017-04-05"],["EW4","[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone","C29 H39 N7 O","c1(ccn(c1)CC3CCN(C2CCCCC=C2)CC3)C(=O)N6CC(n4cnc5c4cc(C)nc5N)(C6)C;Cc1cc2n(cnc2c(N)n1)[C]3(C)CN(C3)C(=O)c4ccn(C[CH]5CCN(CC5)[CH]6CCCCC=C6)c4;Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)C6CCCCC=C6)C","InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1","MTF9975","2018-02-05","2021-03-01","[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone","2018-03-14"],["8ET","~{N}-quinolin-5-ylpyridine-3-carboxamide","C15 H11 N3 O","O=C(Nc1cccc2ncccc12)c3cccnc3;c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3","InChI=1S/C15H11N3O/c19-15(11-4-2-8-16-10-11)18-14-7-1-6-13-12(14)5-3-9-17-13/h1-10H,(H,18,19)","","2017-02-01","2018-02-09","~{N}-quinolin-5-ylpyridine-3-carboxamide","2018-02-14"],["EW5","1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide","C21 H17 N5 O","O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4;c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4","InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27)","","2018-04-27","2019-08-02","1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide","2019-08-07"],["EW6","alpha-methyl-L-serine","C4 H9 N O3","C[C](N)(CO)C(O)=O;CC(CO)(C(=O)O)N","InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1","(2S)-2-azanyl-2-methyl-3-oxidanyl-propanoic acid","2020-02-10","2024-09-27","(2~{S})-2-azanyl-2-methyl-3-oxidanyl-propanoic acid","2021-03-10"],["8EU","ethyl-[(4-nitrophenyl)methoxy]phosphinic acid","C9 H12 N O5 P","CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O;CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C9H12NO5P/c1-2-16(13,14)15-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)","","2017-06-21","2018-04-13","ethyl-[(4-nitrophenyl)methoxy]phosphinic acid","2018-04-18"],["EW8","nonadecanoic acid","C19 H38 O2","CCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)","","2018-04-27","2018-06-15","nonadecanoic acid","2018-06-20"],["8EV","3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile","C19 H18 N4 O","c31nc(ccc1ccc(COc2cc(cc(CNC)c2)C#N)c3)N;CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N;CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N","InChI=1S/C19H18N4O/c1-22-11-15-6-14(10-20)7-17(8-15)24-12-13-2-3-16-4-5-19(21)23-18(16)9-13/h2-9,22H,11-12H2,1H3,(H2,21,23)","","2017-02-02","2017-04-28","3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile","2017-05-03"],["8EW","3-methylpent-2-enedioic acid","C6 H8 O4","CC(CC(O)=O)=CC(O)=O;CC(=CC(=O)O)CC(=O)O","InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)","","2017-02-02","2017-05-26","3-methylpent-2-enedioic acid","2017-05-31"],["EW9","(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C27 H46 N4 O10 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C","InChI=1S/C27H46N4O10S/c1-16(2)12-19(22(33)29-20(23(34)42(37,38)39)13-17-6-9-28-21(17)32)30-24(35)40-18-14-27(15-18)7-10-31(11-8-27)25(36)41-26(3,4)5/h16-20,23,34H,6-15H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)(H,37,38,39)/t17-,19-,20-,23-/m0/s1","","2021-12-14","2024-09-27","(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["8EX","2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose","C8 H15 N O12 S2","CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8-/m1/s1","[(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate;\nN-acetyl-4-sulfo-6-sulfo-beta-D-galactopyranose; 2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactose;\n2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactose; 2-acetamido-2-deoxy-4,6-di-O-sulfo-galactose","2017-06-22","2020-07-17","[(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate","2018-01-17"],["EWA","[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID","C11 H16 B N O5","O=C(c1c(OC)cccc1OC)NC(B(O)O)C;COc1cccc(OC)c1C(=O)N[CH](C)B(O)O;B(C(C)NC(=O)c1c(cccc1OC)OC)(O)O","InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1","","2010-07-21","2024-09-27","[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid",""],["8EY","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile","C20 H20 N4 O","c1(cc(CNC)cc(c1)OCc2cc3nc(cc(C)c3cc2)N)C#N;CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N;Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N","InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24)","","2017-02-02","2017-04-28","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile","2017-05-03"],["EWB","[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)","C16 H19 B N O4","O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C;C[CH](NC(=O)c1ccccc1Cc2ccccc2)[B-](O)(O)O;[B-](C(C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O","InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1","","2010-07-07","2024-09-27","[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)",""],["8EZ","(1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid","C8 H14 O2","C[CH]1CCCC[CH]1C(O)=O;CC1CCCCC1C(=O)O","InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1","","2017-02-02","2017-05-26","(1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid","2017-05-31"],["EWC","[(2~{R},3~{S},5~{R})-5-[(5~{S})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O9 P","NC1=NC(=O)[C]2(N1)N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)NC2=O;C1C(C(OC1N2C(=O)NC(=O)C23C(=O)N=C(N3)N)COP(=O)(O)O)O","InChI=1S/C10H14N5O9P/c11-8-12-6(17)10(14-8)7(18)13-9(19)15(10)5-1-3(16)4(24-5)2-23-25(20,21)22/h3-5,16H,1-2H2,(H,13,18,19)(H2,20,21,22)(H3,11,12,14,17)/t3-,4+,5+,10+/m0/s1","","2020-02-12","2021-06-04","[(2~{R},3~{S},5~{R})-5-[(5~{S})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-06-09"],["8F0","(3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one","C22 H27 N3 O","C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4;Cc1ccc(cc1)C(C)Nc2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4","InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16-/m0/s1","","2017-06-23","2018-04-27","(3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one","2018-05-02"],["EWD","2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid","C16 H12 N2 O3","c1(cc(c(cc1)Oc2ccccc2)C(O)=O)c3cnnc3;OC(=O)c1cc(ccc1Oc2ccccc2)c3c[nH]nc3;c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3","InChI=1S/C16H12N2O3/c19-16(20)14-8-11(12-9-17-18-10-12)6-7-15(14)21-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20)","","2018-02-06","2018-03-29","2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid","2018-04-04"],["8F1","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile","C21 H22 N4 O","N#Cc1cc(CCNC)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C;CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N;Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N","InChI=1S/C21H22N4O/c1-14-7-21(23)25-20-11-16(3-4-19(14)20)13-26-18-9-15(5-6-24-2)8-17(10-18)12-22/h3-4,7-11,24H,5-6,13H2,1-2H3,(H2,23,25)","","2017-02-02","2017-04-28","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile","2017-05-03"],["EWE","[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium","C19 H23 N5 O6 P","Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)[CH]([NH3+])Cc2c[nH]c3ccccc23)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)C(Cc2c[nH]c3c2cccc3)[NH3+])O","InChI=1S/C19H22N5O6P/c1-11-18(25)15(13(8-21-11)10-30-31(27,28)29)9-23-24-19(26)16(20)6-12-7-22-17-5-3-2-4-14(12)17/h2-5,7-9,16,22,25H,6,10,20H2,1H3,(H,24,26)(H2,27,28,29)/p+1/b23-9+/t16-/m0/s1","","2018-04-27","2019-05-03","[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium","2019-05-08"],["EWF","2,3-dihydroindole-1-sulfonamide","C8 H10 N2 O2 S","N[S](=O)(=O)N1CCc2ccccc12;c1ccc2c(c1)CCN2S(=O)(=O)N","InChI=1S/C8H10N2O2S/c9-13(11,12)10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2,(H2,9,11,12)","indoline-1-sulfonamide","2022-01-17","2023-01-20","2,3-dihydroindole-1-sulfonamide","2023-01-25"],["8F2","(R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide","C22 H20 N2 O5 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3[CH]2c4ccccc4;c1ccc(cc1)C2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O","InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1","","2017-02-02","2017-05-05","4-[[(1~{R})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide","2017-05-10"],["EWG","3-(1H-pyrazol-4-yl)benzoic acid","C10 H8 N2 O2","c1(cnnc1)c2cc(C(O)=O)ccc2;OC(=O)c1cccc(c1)c2c[nH]nc2;c1cc(cc(c1)C(=O)O)c2c[nH]nc2","InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)","","2018-02-06","2018-03-29","3-(1H-pyrazol-4-yl)benzoic acid","2018-04-04"],["8F3","4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide","C22 H20 N2 O5 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3[CH]2c4ccccc4;c1ccc(cc1)C2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O","InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1","","2017-02-02","2017-05-05","4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide","2017-05-10"],["EWH","~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide","C24 H26 Cl N7 O","CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl","InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)","SM1-71","2018-04-27","2021-03-01","~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide","2019-02-27"],["8F4","(3~{S})-3-azanylazepan-2-one","C6 H12 N2 O","N[CH]1CCCCNC1=O;C1CCNC(=O)C(C1)N","InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1","","2016-10-19","2017-04-14","(3~{S})-3-azanylazepan-2-one","2017-04-19"],["8F5","3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid","C47 H62 N4 O14","C[CH]1C2=C(CCC(O)=O)C(C)(C)C(=N2)C=C3N=C(C(=C4N[C](C)([CH]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](C)(CC(O)=O)[CH]4CCC(O)=O)CC=C)[C](C)(CC(O)=O)[CH]3CCC(O)=O;CC1C2=C(C(C(=N2)C=C3C(C(C(=N3)C(=C4C(C(C(N4)(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O","InChI=1S/C47H62N4O14/c1-9-10-24-39-27(13-16-33(56)57)46(7,22-37(64)65)47(8,51-39)42-28(19-35(60)61)44(5,18-17-34(58)59)40(50-42)23(2)38-26(12-15-32(54)55)43(3,4)30(49-38)20-29-25(11-14-31(52)53)45(6,21-36(62)63)41(24)48-29/h9,20,23,25,27-28,42,51H,1,10-19,21-22H2,2-8H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-20-,39-24-/t23-,25-,27-,28+,42-,44-,45+,46+,47+/m1/s1","","2017-02-03","2018-02-09","3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid","2018-02-14"],["EWJ","5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid","C20 H13 F N2 O3","c3cccc4cc(Oc1ccc(cc1C(O)=O)c2cnnc2F)ccc34;OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F;c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F","InChI=1S/C20H13FN2O3/c21-19-17(11-22-23-19)14-6-8-18(16(10-14)20(24)25)26-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,22,23)(H,24,25)","","2018-02-06","2018-03-29","5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid","2018-04-04"],["EWK","4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide","C22 H19 N3 O S2","Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1;c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N","InChI=1S/C22H19N3OS2/c23-22-25-19-11-10-18(12-20(19)28-22)27-14-16-6-8-17(9-7-16)21(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,23,25)(H,24,26)","","2018-04-27","2019-03-29","4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide","2019-04-03"],["8F6","(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one","C21 H25 N3 O","C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4;CC1C(=O)N(c2ccc(cc2N1C3CC3)NC(C)c4ccccc4)C","InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15-/m1/s1","","2017-06-23","2018-04-27","(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one","2018-05-02"],["8F7","3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile","C21 H22 N4","N#Cc1cc(CNC)cc(c1)CCc2cc3c(cc2)c(cc(N)n3)C;CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N;Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N","InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)","","2017-02-02","2017-04-28","3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile","2017-05-03"],["EWL","6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one","C16 H19 N5 O2","CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1;CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N","InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)","","2020-02-13","2020-11-06","6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one","2020-11-11"],["8F9","(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one","C22 H27 N3 O","C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4;Cc1ccc(cc1)C(C)Nc2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4","InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1","","2017-06-23","2018-04-27","(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one","2018-05-02"],["EWM","N-[(3S)-2-oxooxolan-3-yl]dodecanamide","C16 H29 N O3","O=C(CCCCCCCCCCC)NC1CCOC1=O;CCCCCCCCCCCC(=O)N[CH]1CCOC1=O;CCCCCCCCCCCC(=O)NC1CCOC1=O","InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1","","2018-02-06","2018-02-23","N-[(3S)-2-oxooxolan-3-yl]dodecanamide","2018-02-28"],["8FB","(3~{S},4~{R},5~{S})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid","C17 H29 N3 O6 S","C[CH](O)[CH]([CH]1N[CH]([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O;CC1C(C(NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C","InChI=1S/C17H29N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-14,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,13-,14+/m1/s1","","2017-02-03","2017-03-28","(3~{S},4~{R},5~{S})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid","2017-04-02"],["EWN","6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one","C21 H21 F N2 O4","CC(C)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3;CC(C)CC1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F","InChI=1S/C21H21FN2O4/c1-12(2)7-15-10-27-19-9-14(22)4-5-17(19)24(15)21(26)13-3-6-18-16(8-13)23-20(25)11-28-18/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1","","2018-04-27","2019-01-04","6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one","2019-01-09"],["8FC","~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide","C21 H25 N3 O3 S","CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13;Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4","InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3","","2017-06-23","2018-04-27","~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide","2018-05-02"],["EWO","(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","C12 H12 F N3","Fc1ccc(cc1)[CH]2NCCc3[nH]cnc23;c1cc(ccc1C2c3c([nH]cn3)CCN2)F","InChI=1S/C12H12FN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)/t11-/m1/s1","","2020-02-12","2021-02-05","(4~{R})-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1~{H}-imidazo[4,5-c]pyridine","2021-02-10"],["8FD","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile","C22 H24 N4 O","N#Cc1cc(CC(NC)C)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C;CN[CH](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N;Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CC(C)NC)N","InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m0/s1","","2017-02-02","2017-04-28","3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile","2017-05-03"],["EWQ","6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one","C13 H15 N O3","O=C2C=C(c1c(c(OC)cc(OC)c1)N2C)C;COc1cc(OC)c2N(C)C(=O)C=C(C)c2c1;CC1=CC(=O)N(c2c1cc(cc2OC)OC)C","InChI=1S/C13H15NO3/c1-8-5-12(15)14(2)13-10(8)6-9(16-3)7-11(13)17-4/h5-7H,1-4H3","","2010-06-11","2012-01-06","6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one",""],["EWR","(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid","C25 H29 N O4 S","CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O;CCOC(Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O","InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1","","2020-02-13","2020-11-06","(2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid","2020-11-11"],["8FF","(4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one","C33 H49 N O3","CCCC[CH](CCC(=O)c1[nH]ccc1)[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;CCCCC(CCC(=O)c1ccc[nH]1)C(C)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C33H49NO3/c1-5-6-9-25(14-17-30(35)29-11-8-19-34-29)22(2)27-15-16-28-26(10-7-18-33(27,28)4)13-12-24-20-31(36)23(3)32(37)21-24/h8,11-13,19,22,25,27-28,31-32,34,36-37H,3,5-7,9-10,14-18,20-21H2,1-2,4H3/b26-13+/t22-,25+,27-,28+,31-,32-,33-/m1/s1","","2017-06-27","2018-06-22","(4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one","2018-06-27"],["8FG","N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-ACETYLAMINOFLUORENE","C25 H25 N6 O8 P","O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)N(c6ccc5c4ccccc4Cc5c6)C(=O)C;CC(=O)N(c1ccc2c(Cc3ccccc23)c1)c4nc5C(=O)NC(=Nc5n4[CH]6C[CH](O)[CH](CO[P](O)(O)=O)O6)N;CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N","InChI=1S/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19+,20+/m0/s1","","2004-09-15","2011-06-04","8-[acetyl(9H-fluoren-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)",""],["EWS","(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium","C21 H22 Br Cl N3 O","C3(NC(=O)c1c2cc(ccc2nc1)Br)CC([NH2+]CC3)Cc4ccc(cc4)Cl;Clc1ccc(C[CH]2C[CH](CC[NH2+]2)NC(=O)c3c[nH]c4ccc(Br)cc34)cc1;c1cc(ccc1CC2CC(CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl","InChI=1S/C21H21BrClN3O/c22-14-3-6-20-18(10-14)19(12-25-20)21(27)26-16-7-8-24-17(11-16)9-13-1-4-15(23)5-2-13/h1-6,10,12,16-17,24-25H,7-9,11H2,(H,26,27)/p+1/t16-,17+/m0/s1","","2018-02-07","2018-08-31","(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium","2018-09-05"],["EWT","2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide","C15 H11 Cl2 N3 O S","Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3;c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl","InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)","","2018-04-27","2019-03-29","2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide","2019-04-03"],["8FH","2,2,2-tris-chloroethanol","C2 H3 Cl3 O","OCC(Cl)(Cl)Cl;C(C(Cl)(Cl)Cl)O","InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2","","2017-02-05","2018-05-25","2,2,2-tris(chloranyl)ethanol","2018-05-30"],["8FI","2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid","C17 H14 F3 N3 O2","FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc23)c(c1)C(=O)O;OC(=O)c1cc(ccc1NCCc2[nH]nc3ccccc23)C(F)(F)F;c1ccc2c(c1)c([nH]n2)CCNc3ccc(cc3C(=O)O)C(F)(F)F","InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-6-13(12(9-10)16(24)25)21-8-7-15-11-3-1-2-4-14(11)22-23-15/h1-6,9,21H,7-8H2,(H,22,23)(H,24,25)","","2021-09-16","2022-09-23","2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid","2022-09-28"],["EWU","6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one","C15 H17 N5 O3","COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1;COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N","InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)","","2020-02-13","2020-11-06","6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7~{H}-purin-8-one","2020-11-11"],["8FK","(2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide","C19 H18 N2 O3 S","CN1C(=O)c2ccccc2Sc3cc(NC(=O)[CH]4CCCO4)ccc13;CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)C4CCCO4","InChI=1S/C19H18N2O3S/c1-21-14-9-8-12(20-18(22)15-6-4-10-24-15)11-17(14)25-16-7-3-2-5-13(16)19(21)23/h2-3,5,7-9,11,15H,4,6,10H2,1H3,(H,20,22)/t15-/m0/s1","","2017-02-06","2017-05-26","(2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide","2017-05-31"],["EWV","Epiberberine","C20 H18 N O4","c2c5ccc1OCOc1c5c[n+]3CCc4c(c23)cc(c(c4)OC)OC;COc1cc2CC[n+]3cc4c(ccc5OCOc45)cc3c2cc1OC;COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5","InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1","8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium","2018-02-08","2020-06-17","8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium","2018-06-20"],["8FL","2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","C12 H20 N4 O8 P2 S","Cc1ncc(CN2[CH](O)SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1;Cc1ncc(c(n1)N)CN2C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O","InChI=1S/C12H20N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5,12,17H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/t12-/m1/s1","","2017-06-27","2018-04-20","2-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","2018-04-25"],["EWW","2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C13 H12 Cl N3 O4 S2","O=C2C=C(N=C(SCC(=O)c1ccc(c(Cl)c1)S(=O)(=O)N)N2)C;CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(Cl)c2)[S](N)(=O)=O;CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N","InChI=1S/C13H12ClN3O4S2/c1-7-4-12(19)17-13(16-7)22-6-10(18)8-2-3-11(9(14)5-8)23(15,20)21/h2-5H,6H2,1H3,(H2,15,20,21)(H,16,17,19)","","2014-07-23","2015-01-16","2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","2015-01-21"],["EWX","6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one","C14 H16 N6 O3","COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1;COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N","InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19)","","2020-02-13","2020-11-06","6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one","2020-11-11"],["8FM","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C30 H40 N2 O8 S","c5c(S(=O)(N(CC(C)C)CC(O)C(NC(OC2C1COC3C(C1)C2CO3)=O)Cc4ccccc4)=O)ccc(c5)OC;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3[CH]4CO[CH]5OC[CH]3[CH]5C4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C30H40N2O8S/c1-19(2)15-32(41(35,36)23-11-9-22(37-3)10-12-23)16-27(33)26(13-20-7-5-4-6-8-20)31-30(34)40-28-21-14-24-25(28)18-39-29(24)38-17-21/h4-12,19,21,24-29,33H,13-18H2,1-3H3,(H,31,34)/t21-,24-,25-,26+,27-,28+,29+/m1/s1","","2017-02-02","2017-04-28","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2017-05-03"],["EWY","3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","C13 H13 N3 O4 S2","O=C2C=C(N=C(SCC(=O)c1cccc(c1)S(=O)(=O)N)N2)C;CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)[S](N)(=O)=O;CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N","InChI=1S/C13H13N3O4S2/c1-8-5-12(18)16-13(15-8)21-7-11(17)9-3-2-4-10(6-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)","","2014-07-24","2015-01-16","3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide","2015-01-21"],["8FN","5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one","C22 H15 N5 O2 S","O=C1N(C2CC2)c3ccc(cc3Sc4ccccc14)c5noc(n5)c6cnccn6;c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6","InChI=1S/C22H15N5O2S/c28-22-15-3-1-2-4-18(15)30-19-11-13(5-8-17(19)27(22)14-6-7-14)20-25-21(29-26-20)16-12-23-9-10-24-16/h1-5,8-12,14H,6-7H2","","2017-02-06","2017-05-26","5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one","2017-05-31"],["EWZ","5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide","C16 H18 Cl N3 O4 S2","O=C2C=C(N=C(SCC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N)N2)C(C)(C)C;CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O;CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl","InChI=1S/C16H18ClN3O4S2/c1-16(2,3)13-7-14(22)20-15(19-13)25-8-11(21)9-4-5-10(17)12(6-9)26(18,23)24/h4-7H,8H2,1-3H3,(H2,18,23,24)(H,19,20,22)","","2014-07-24","2015-01-16","5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide","2015-01-21"],["8FO","(2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid","C18 H16 F4 O2","CC[CH](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F;CCC(c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O","InChI=1S/C18H16F4O2/c1-3-13(17(23)24)11-6-7-14(15(8-11)18(20,21)22)12-5-4-10(2)16(19)9-12/h4-9,13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1","","2022-03-08","2023-03-03","(2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid","2023-03-08"],["8FP","N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide","C37 H44 N4 O6 S2","c5(ccc(S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1cccc(c1)C(=O)N2CCCC2c3scc(n3)C)Cc4ccccc4)=O)cc5)OC;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cccc(c3)C(=O)N4CCC[CH]4c5scc(C)n5;Cc1csc(n1)C2CCCN2C(=O)c3cccc(c3)C(=O)NC(Cc4ccccc4)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O","InChI=1S/C37H44N4O6S2/c1-25(2)22-40(49(45,46)31-17-15-30(47-4)16-18-31)23-34(42)32(20-27-10-6-5-7-11-27)39-35(43)28-12-8-13-29(21-28)37(44)41-19-9-14-33(41)36-38-26(3)24-48-36/h5-8,10-13,15-18,21,24-25,32-34,42H,9,14,19-20,22-23H2,1-4H3,(H,39,43)/t32-,33+,34+/m0/s1","","2017-02-02","2017-05-05","N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide","2017-05-10"],["EX0","2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine","C26 H29 F N8 O","CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6;CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5CC6CC5CN6C)N","InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1","","2020-02-13","2020-11-06","2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine","2020-11-11"],["EX1","2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C33 H42 N8 O3","C1(CCN(CC1)C(=O)c2ccc(c(OC)c2)Nc5nc3c(N(C(=O)c4c(N3C(C)C)cccc4)C)cn5)N6CCN(CC6)C;COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C(C)C)c3n2)C(=O)N5CCC(CC5)N6CCN(C)CC6;CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C","InChI=1S/C33H42N8O3/c1-22(2)41-27-9-7-6-8-25(27)32(43)38(4)28-21-34-33(36-30(28)41)35-26-11-10-23(20-29(26)44-5)31(42)40-14-12-24(13-15-40)39-18-16-37(3)17-19-39/h6-11,20-22,24H,12-19H2,1-5H3,(H,34,35,36)","","2018-02-08","2018-08-24","2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2018-08-29"],["8FQ","~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide","C24 H27 F N6 O3","COc1cccc2n(C)c(nc12)[CH](CCCNC(=N)CF)NC(=O)c3cccc4CNC(=O)c34;Cn1c2cccc(c2nc1C(CCCNC(=N)CF)NC(=O)c3cccc4c3C(=O)NC4)OC","InChI=1S/C24H27FN6O3/c1-31-17-9-4-10-18(34-2)21(17)30-22(31)16(8-5-11-27-19(26)12-25)29-23(32)15-7-3-6-14-13-28-24(33)20(14)15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H2,26,27)(H,28,33)(H,29,32)/t16-/m0/s1","","2017-02-06","2024-09-27","~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide","2017-05-24"],["8FR","2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine","C17 H20 Cl N7","Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N4CCC(N)CC4)c1;Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl","InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23)","","2017-06-30","2018-02-02","2-(4-azanylpiperidin-1-yl)-6-chloranyl-~{N}-(1-methylimidazol-4-yl)quinazolin-4-amine","2018-02-07"],["EX3","2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine","C27 H30 F N7 O","CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6;CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5CC6CC5CN6C)C","InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1","","2020-02-13","2020-11-06","2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine","2020-11-11"],["EX4","(5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","C29 H33 F4 N7 O","c2c(c1ccc(F)c(c1)C(F)(F)F)nc(n2CCN3CCCC3)C4CCN(CC4)c6ncnc5NC(=O)CC(C)c56;C[CH]1CC(=O)Nc2ncnc(N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(F)c(c6)C(F)(F)F)c12;CC1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F","InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1","","2018-02-08","2018-04-27","(5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","2018-05-02"],["8FS","1-ethynyl-2,4-difluorobenzene","C8 H4 F2","Fc1cc(F)ccc1C#C;Fc1ccc(C#C)c(F)c1;C#Cc1ccc(cc1F)F","InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H","","2017-02-02","2017-06-02","1-ethynyl-2,4-difluorobenzene","2017-06-07"],["8FT","2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide","C26 H31 F N6 O3","CCN1Cc2cccc(C(=O)N[CH](CCCNC(=N)CF)c3nc4c(OC)cccc4n3C)c2C1=O;CCN1Cc2cccc(c2C1=O)C(=O)NC(CCCNC(=N)CF)c3nc4c(n3C)cccc4OC","InChI=1S/C26H31FN6O3/c1-4-33-15-16-8-5-9-17(22(16)26(33)35)25(34)30-18(10-7-13-29-21(28)14-27)24-31-23-19(32(24)2)11-6-12-20(23)36-3/h5-6,8-9,11-12,18H,4,7,10,13-15H2,1-3H3,(H2,28,29)(H,30,34)/t18-/m0/s1","","2017-02-06","2024-09-27","2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide","2017-05-24"],["EX5","Jerantinine B","C24 H28 N2 O6","CC[C]12CC(=C3Nc4cc(OC)c(OC(C)=O)cc4[C]35CCN(C[CH]6O[CH]16)[CH]25)C(=O)OC;CCC12CC(=C3C4(C1N(CC4)CC5C2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC","InChI=1S/C24H28N2O6/c1-5-23-10-13(21(28)30-4)19-24(6-7-26(22(23)24)11-18-20(23)32-18)14-8-17(31-12(2)27)16(29-3)9-15(14)25-19/h8-9,18,20,22,25H,5-7,10-11H2,1-4H3/t18-,20-,22-,23+,24-/m0/s1","","2018-05-01","2019-05-03","","2019-05-08"],["8FU","[6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone","C18 H20 Cl N7 O","C[CH]1CN(CCN1)C(=O)c2nc(Nc3cc(C)[nH]n3)c4cc(Cl)ccc4n2;Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCNC(C4)C)Cl","InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-11(2)9-26/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m1/s1","","2017-06-30","2018-02-02","[6-chloranyl-4-[(5-methyl-1~{H}-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3~{R})-3-methylpiperazin-1-yl]methanone","2018-02-07"],["EX6","3-amino-4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)benzoic acid","C27 H28 Cl2 N2 O4","Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2ccc(cc2N)C(=O)O)C1c1ccccc1;Nc1cc(ccc1CN2CCC[CH](O[CH](CO)c3cc(Cl)cc(Cl)c3)[CH]2c4ccccc4)C(O)=O;c1ccc(cc1)C2C(CCCN2Cc3ccc(cc3N)C(=O)O)OC(CO)c4cc(cc(c4)Cl)Cl","InChI=1S/C27H28Cl2N2O4/c28-21-11-20(12-22(29)14-21)25(16-32)35-24-7-4-10-31(26(24)17-5-2-1-3-6-17)15-19-9-8-18(27(33)34)13-23(19)30/h1-3,5-6,8-9,11-14,24-26,32H,4,7,10,15-16,30H2,(H,33,34)/t24-,25+,26-/m0/s1","","2021-12-14","2023-06-09","3-amino-4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)benzoic acid","2023-06-14"],["8FV","7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole","C26 H21 N5 O2","Cc6c(c3c(OC)cc2c1c(nc(nc1nc2c3)C)c5ccnc4ccccc45)c(C)no6;COc1cc2c([nH]c3nc(C)nc(c4ccnc5ccccc45)c23)cc1c6c(C)onc6C;Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6","InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)","","2017-02-02","2017-05-12","7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole","2017-05-17"],["EX7","2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol","C15 H13 Cl N2 O","c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O;Oc1cccc2nc(CCc3cccc(Cl)c3)[nH]c12;c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O","InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18)","2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol","2018-02-08","2020-06-17","2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol","2018-03-14"],["8FW","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide","C22 H22 N6 O2","CC(=N)NCCC[CH](NC(=O)c1cccc2C=NC(=O)c12)c3[nH]c4ccccc4n3;CC(=N)NCCCC(c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4","InChI=1S/C22H22N6O2/c1-13(23)24-11-5-10-18(20-26-16-8-2-3-9-17(16)27-20)28-21(29)15-7-4-6-14-12-25-22(30)19(14)15/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,23,24)(H,26,27)(H,28,29)/t18-/m0/s1","","2017-02-06","2024-09-27","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide","2017-05-24"],["EX8","(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde","C5 H8 F N O3","O[CH]1CN[CH]([CH]1F)C(O)=O;C1C(C(C(N1)C(=O)O)F)O","InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1","","2018-05-03","2024-09-27","(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid","2018-07-11"],["8FX","[6-chloranyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone","C20 H22 Cl N7 O","C[CH]1CN(CCN1)C(=O)c2nc(Nc3cc([nH]n3)C4CC4)c5cc(Cl)ccc5n2;CC1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl","InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1","","2017-06-30","2018-02-02","[6-chloranyl-4-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3~{R})-3-methylpiperazin-1-yl]methanone","2018-02-07"],["EX9","3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide","C27 H33 F N6 O2 S","CN(C)CCC[S](=O)(=O)N[CH]1CC[CH](CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc5[nH]ccc45;CN(C)CCCS(=O)(=O)NC1CCC(CC1)n2cnc(c2c3ccnc4c3cc[nH]4)c5ccc(cc5)F","InChI=1S/C27H33FN6O2S/c1-33(2)16-3-17-37(35,36)32-21-8-10-22(11-9-21)34-18-31-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27-24(23)13-15-30-27/h4-7,12-15,18,21-22,32H,3,8-11,16-17H2,1-2H3,(H,29,30)/t21-,22+","","2022-01-17","2023-01-13","3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide","2023-01-18"],["EXA","N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine","C17 H27 N4 O9 P","Oc1c(C(N=C(/C)C(=O)O)NCCCCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N=C(C)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C(NCCCCC(C(=O)O)N)N=C(C)C(=O)O)O","InChI=1S/C17H27N4O9P/c1-9-14(22)13(11(7-20-9)8-30-31(27,28)29)15(21-10(2)16(23)24)19-6-4-3-5-12(18)17(25)26/h7,12,15,19,22H,3-6,8,18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b21-10+/t12-,15+/m0/s1","","2017-03-01","2024-09-27","N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine","2018-03-07"],["8FY","N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C21 H18 N8","c2(c1c(cnc1nc(NC)n2)c4ccc3ncccc3c4)NCc5ncccn5;CNc1nc(NCc2ncccn2)c3c([nH]cc3c4ccc5ncccc5c4)n1;CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5","InChI=1S/C21H18N8/c1-22-21-28-19-18(20(29-21)27-12-17-24-8-3-9-25-17)15(11-26-19)13-5-6-16-14(10-13)4-2-7-23-16/h2-11H,12H2,1H3,(H3,22,26,27,28,29)","","2017-02-03","2018-05-04","N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2018-05-09"],["8FZ","(5-pyridin-3-yloxyfuran-2-yl)methanamine","C10 H10 N2 O2","NCc1oc(Oc2cccnc2)cc1;c1cc(cnc1)Oc2ccc(o2)CN","InChI=1S/C10H10N2O2/c11-6-8-3-4-10(13-8)14-9-2-1-5-12-7-9/h1-5,7H,6,11H2","","2017-02-06","2018-02-23","(5-pyridin-3-yloxyfuran-2-yl)methanamine","2018-02-28"],["EXB","3-(1H-benzimidazol-1-yl)propanoic acid","C10 H10 N2 O2","O=C(O)CCn1c2ccccc2nc1;OC(=O)CCn1cnc2ccccc12;c1ccc2c(c1)ncn2CCC(=O)O","InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)","","2008-11-12","2024-09-27","3-(1H-benzimidazol-1-yl)propanoic acid",""],["EXC","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5'\n:5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one radical","C21 H26 N4 O9 P","O=P(O)(O)OCC5OC(N4C(=O)N=C2C(Oc1cc3c(cc1N2)C(N(O)C3(C)C)(C)C)=C4)CC5O;CC1(C)N([O])C(C)(C)c2cc3OC4=CN([CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)C(=O)N=C4Nc3cc12;CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)C5CC(C(O5)COP(=O)(O)O)O)C","InChI=1S/C21H27N4O9P/c1-20(2)10-5-12-14(6-11(10)21(3,4)25(20)28)33-15-8-24(19(27)23-18(15)22-12)17-7-13(26)16(34-17)9-32-35(29,30)31/h5-6,8,13,16-17,26,28H,7,9H2,1-4H3,(H,22,23,27)(H2,29,30,31)/t13-,16+,17+/m0/s1","nitroxide spin-labeled nucleotide C-spin","2010-10-19","2020-06-17","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one",""],["8G0","benzene-1,3-dicarboxylic acid","C8 H6 O4","OC(=O)c1cccc(c1)C(O)=O;c1cc(cc(c1)C(=O)O)C(=O)O","InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)","","2017-06-30","2018-03-16","benzene-1,3-dicarboxylic acid","2018-03-21"],["8G1","(3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile","C26 H18 Cl F N4 O4","C=51C(CCN(C1=O)Cc2ccc(c(c2)Cl)F)=C6C(=O)NC3(CCc4c3c(C#N)ccc4)N6C(C=5O)=O;OC1=C2C(=O)N(CCC2=C3N(C1=O)[C]4(CCc5cccc(C#N)c45)NC3=O)Cc6ccc(F)c(Cl)c6;c1cc2c(c(c1)C#N)C3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F","InChI=1S/C26H18ClFN4O4/c27-17-10-13(4-5-18(17)28)12-31-9-7-16-19(24(31)35)22(33)25(36)32-21(16)23(34)30-26(32)8-6-14-2-1-3-15(11-29)20(14)26/h1-5,10,33H,6-9,12H2,(H,30,34)/t26-/m1/s1","","2017-02-03","2017-03-24","(3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile","2017-03-29"],["EXD","2-(trifluoromethyl)-1H-benzimidazol-7-ol","C8 H5 F3 N2 O","c1c(c2nc(C(F)(F)F)nc2cc1)O;Oc1cccc2nc([nH]c12)C(F)(F)F;c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F","InChI=1S/C8H5F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3,14H,(H,12,13)","","2018-02-08","2018-03-09","2-(trifluoromethyl)-1H-benzimidazol-7-ol","2018-03-14"],["EXE","(2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C24 H31 F N4 O4 S","CC(=O)N[CH](C(=O)N1C[CH](O)[CH](F)[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3C(C(CN3C(=O)C(C(C)(C)C)NC(=O)C)O)F","InChI=1S/C24H31FN4O4S/c1-13-20(34-12-27-13)16-8-6-15(7-9-16)10-26-22(32)19-18(25)17(31)11-29(19)23(33)21(24(3,4)5)28-14(2)30/h6-9,12,17-19,21,31H,10-11H2,1-5H3,(H,26,32)(H,28,30)/t17-,18+,19-,21+/m0/s1","","2018-05-03","2018-07-06","(2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2018-07-11"],["4VS","5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C10 H10 N4 O","N#Cc1c2n(nc1C)C(=O)C=C(N2)CC;CCC1=CC(=O)n2nc(C)c(C#N)c2N1;CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1","InChI=1S/C10H10N4O/c1-3-7-4-9(15)14-10(12-7)8(5-11)6(2)13-14/h4,12H,3H2,1-2H3","","2015-06-08","2015-06-26","5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2015-07-01"],["EXF","N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide","C20 H25 F2 N7 O2","CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[CH](F)C(C)(C)O;CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F","InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-16(27-18-13(21)10-29-17(28-18)5-6-25-29)23-8-12(14)19(30)24-9-15(22)20(3,4)31/h5-8,10-11,15,31H,9H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1","","2020-02-14","2020-11-20","~{N}-[(2~{R})-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide","2020-11-25"],["4VT","5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C14 H10 N4 O","O=C2C=C(Cc1ccccc1)Nc3n2ncc3C#N;O=C1C=C(Cc2ccccc2)Nc3n1ncc3C#N;c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2","InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2","","2015-06-08","2015-06-26","5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2015-07-01"],["EXG","1-benzyl-1H-imidazo[4,5-b]pyridine","C13 H11 N3","c1(ccccc1)Cn3c2cccnc2nc3;C(n1cnc2ncccc12)c3ccccc3;c1ccc(cc1)Cn2cnc3c2cccn3","InChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-13-12(16)7-4-8-14-13/h1-8,10H,9H2","","2018-02-08","2018-03-09","1-benzyl-1H-imidazo[4,5-b]pyridine","2018-03-14"],["4VU","(2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane","C12 H16 N2","c1cncc(c1)C2N3CCC(C2)CC3;C1CN2CCC1C[CH]2c3cccnc3;c1cc(cnc1)C2CC3CCN2CC3","InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m1/s1","","2015-06-08","2015-06-19","(2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane","2015-06-24"],["4VV","(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)","C15 H26 N6 O2","C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=NC2=C/NO;ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO;C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO","InChI=1S/C15H26N6O2/c22-18-12-14-16-6-10-20(14)8-4-2-1-3-5-9-21-11-7-17-15(21)13-19-23/h6-7,12-13,18-19,22-23H,1-5,8-11H2/b14-12+,15-13+","","2015-06-08","2015-09-04","(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)","2015-09-09"],["EXH","(2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C24 H31 F N4 O4 S","CC(=O)N[CH](C(=O)N1C[CH](O)[CH](F)[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3C(C(CN3C(=O)C(C(C)(C)C)NC(=O)C)O)F","InChI=1S/C24H31FN4O4S/c1-13-20(34-12-27-13)16-8-6-15(7-9-16)10-26-22(32)19-18(25)17(31)11-29(19)23(33)21(24(3,4)5)28-14(2)30/h6-9,12,17-19,21,31H,10-11H2,1-5H3,(H,26,32)(H,28,30)/t17-,18-,19-,21+/m0/s1","","2018-05-03","2018-07-06","(2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2018-07-11"],["EXI","N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine","C17 H25 N5","CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC","InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)","","2015-03-23","2015-06-19","N'-[5-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-3-yl]-N,N'-dimethyl-ethane-1,2-diamine","2015-06-24"],["4VW","5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid","C22 H26 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3ccc(N)cc3;CC(C)C[CH](CNC(=O)c1ccc(N)cc1)Cc2ccc3OCOc3c2C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N","InChI=1S/C22H26N2O5/c1-13(2)9-14(11-24-21(25)15-3-6-17(23)7-4-15)10-16-5-8-18-20(29-12-28-18)19(16)22(26)27/h3-8,13-14H,9-12,23H2,1-2H3,(H,24,25)(H,26,27)/t14-/m0/s1","","2013-12-19","2014-09-05","5-[(2S)-2-{[(4-aminobenzoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["EXJ","(3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile","C15 H13 Cl N6 O","C1(C)=Nc3n(C(C1)=O)nc(NC(CC#N)c2cc(Cl)ccc2)n3;CC1=Nc2nc(N[CH](CC#N)c3cccc(Cl)c3)nn2C(=O)C1;CC1=Nc2nc(nn2C(=O)C1)NC(CC#N)c3cccc(c3)Cl","InChI=1S/C15H13ClN6O/c1-9-7-13(23)22-15(18-9)20-14(21-22)19-12(5-6-17)10-3-2-4-11(16)8-10/h2-4,8,12H,5,7H2,1H3,(H,19,21)/t12-/m1/s1","","2018-02-08","2018-03-09","(3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile","2018-03-14"],["4VX","5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide","C22 H17 Br N2 O2 S2","ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(Br)ccc24)c5ccccc5)cc1;c1ccc(cc1)C2Cc3c(c4cc(ccc4n3Cc5ccc(s5)C(=O)NO)Br)S2","InChI=1S/C22H17BrN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1","","2021-07-07","2022-07-15","5-[[(2~{R})-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide","2022-07-20"],["4VY","2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL","C8 H11 Br N2 O","Brc1cnc(N(C)CCO)cc1;CN(CCO)c1ccc(Br)cn1;CN(CCO)c1ccc(cn1)Br","InChI=1S/C8H11BrN2O/c1-11(4-5-12)8-3-2-7(9)6-10-8/h2-3,6,12H,4-5H2,1H3","","2015-02-12","2015-05-08","2-[(5-bromopyridin-2-yl)(methyl)amino]ethanol","2015-05-13"],["EXL","1-Methyl-L-tryptophan","C12 H14 N2 O2","Cn1cc(C[CH](N)C(O)=O)c2ccccc12;Cn1cc(c2c1cccc2)CC(C(=O)O)N","InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1","(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid","2020-02-14","2024-09-27","(2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid","2020-07-08"],["4VZ","(5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C12 H11 N O3 S2","CCOc1cc(ccc1O)C=C2SC(=S)NC2=O;CCOc1cc(ccc1O)C=C2C(=O)NC(=S)S2","InChI=1S/C12H11NO3S2/c1-2-16-9-5-7(3-4-8(9)14)6-10-11(15)13-12(17)18-10/h3-6,14H,2H2,1H3,(H,13,15,17)/b10-6-","","2021-08-06","2022-03-18","(5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2022-03-23"],["EXM","(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione","C20 H24 O2","O=C2C=C1C(=C)CC3C(C1(C=C2)C)CCC4(C(=O)CCC34)C;C[C]12CC[CH]3[CH](CC(=C)C4=CC(=O)C=C[C]34C)[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C","InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1","Exemestane; aromasin","2011-06-06","2020-05-27","(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione",""],["4W0","5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one","C24 H17 F4 N O2","c1cc2c(c(c1)F)C(C(=C(N2)c3ccc(cc3)Cc4ccc(OC(F)(F)F)cc4)C)=O;CC1=C(Nc2cccc(F)c2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3;CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C24H17F4NO2/c1-14-22(29-20-4-2-3-19(25)21(20)23(14)30)17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)31-24(26,27)28/h2-12H,13H2,1H3,(H,29,30)","","2015-06-09","2017-03-17","5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one","2017-03-22"],["EXN","[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium","C20 H21 N2 O","CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4;CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C","InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1","","2018-05-03","2019-05-17","[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium","2019-05-22"],["4W1","1-benzothiophen-3-ylmethanol","C9 H8 O S","c1c2c(ccc1)c(cs2)CO;OCc1csc2ccccc12;c1ccc2c(c1)c(cs2)CO","InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2","","2015-06-09","2016-09-09","1-benzothiophen-3-ylmethanol","2016-09-14"],["EXO","(1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL","C7 H12 O4","OC1CC(=C)/C(O)C(O)C1O;O[CH]1CC(=C)[CH](O)[CH](O)[CH]1O;C=C1CC(C(C(C1O)O)O)O","InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-11H,1-2H2/t4-,5-,6+,7+/m1/s1","","2006-04-28","2011-06-04","(1R,2S,3S,4R)-5-methylidenecyclohexane-1,2,3,4-tetrol",""],["4W4","5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C18 H17 Cl F N5 O","CCCCC3=CC(=O)n2nc(NCc1ccc(cc1F)Cl)c(c2N3)C#N;CCCCC1=CC(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2N1;CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1","InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)","","2015-06-09","2015-06-26","5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2015-07-01"],["EXP","2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one","C13 H12 Br N5 O","c12nc(nn1C(CC(C)=N2)=O)NCc3cc(ccc3)Br;CC1=Nc2nc(NCc3cccc(Br)c3)nn2C(=O)C1;CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br","InChI=1S/C13H12BrN5O/c1-8-5-11(20)19-13(16-8)17-12(18-19)15-7-9-3-2-4-10(14)6-9/h2-4,6H,5,7H2,1H3,(H,15,18)","","2018-02-08","2018-03-09","2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one","2018-03-14"],["EXQ","[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium","C21 H23 N2 S","CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4scc(C)c4;CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C","InChI=1S/C21H22N2S/c1-4-23-19-8-5-15(12-22-3)10-18(19)17-7-6-16(11-20(17)23)21-9-14(2)13-24-21/h5-11,13,22H,4,12H2,1-3H3/p+1","","2018-05-03","2019-05-17","[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium","2019-05-22"],["4W5","ethyl 2H-indazole-5-carboxylate","C10 H10 N2 O2","c2c1cnnc1ccc2C(=O)OCC;CCOC(=O)c1ccc2n[nH]cc2c1;CCOC(=O)c1ccc2c(c1)c[nH]n2","InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)","","2015-06-09","2015-12-18","ethyl 2H-indazole-5-carboxylate","2015-12-23"],["4W6","7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C16 H19 N5 O2","CCCC3=CC(=O)n2nc(CC(=O)N1CCCC1)c(c2N3)C#N;CCCC1=CC(=O)n2nc(CC(=O)N3CCCC3)c(C#N)c2N1;CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1","InChI=1S/C16H19N5O2/c1-2-5-11-8-15(23)21-16(18-11)12(10-17)13(19-21)9-14(22)20-6-3-4-7-20/h8,18H,2-7,9H2,1H3","","2015-06-09","2015-06-26","7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2015-07-01"],["EXR","(2R)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid","C11 H11 N O2 S","N[CH](Cc1csc2ccccc12)C(O)=O;c1ccc2c(c1)c(cs2)CC(C(=O)O)N","InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m1/s1","3-(3-Benzothienyl)-D-alanine","2020-02-17","2020-07-03","(2~{R})-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid","2020-07-08"],["4W8","(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C32 H35 N5 O5 S","COc1cccc2[NH]c(cc12)C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3ccccc3s1)C2(C)C;COc1cccc2[nH]c(cc12)C(=O)N3C[CH]4[CH]([CH]3C(=O)N[CH](C[CH]5CCNC5=O)[CH](O)c6sc7ccccc7n6)C4(C)C;CC1(C2C1C(N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)NC(CC5CCNC5=O)C(c6nc7ccccc7s6)O)C","InChI=1S/C32H35N5O5S/c1-32(2)18-15-37(31(41)22-14-17-19(34-22)8-6-9-23(17)42-3)26(25(18)32)29(40)35-21(13-16-11-12-33-28(16)39)27(38)30-36-20-7-4-5-10-24(20)43-30/h4-10,14,16,18,21,25-27,34,38H,11-13,15H2,1-3H3,(H,33,39)(H,35,40)/t16-,18-,21-,25-,26-,27-/m0/s1","","2021-07-15","2024-09-27","(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2021-11-10"],["EXS","(2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide","C15 H21 N3 O4","c2(nc1c(cccc1O)n2)CCNC(=O)C(C(C)(C)CO)O;CC(C)(CO)[CH](O)C(=O)NCCc1[nH]c2c(O)cccc2n1;CC(C)(CO)C(C(=O)NCCc1[nH]c2c(n1)cccc2O)O","InChI=1S/C15H21N3O4/c1-15(2,8-19)13(21)14(22)16-7-6-11-17-9-4-3-5-10(20)12(9)18-11/h3-5,13,19-21H,6-8H2,1-2H3,(H,16,22)(H,17,18)/t13-/m0/s1","","2018-02-08","2018-03-09","(2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide","2018-03-14"],["4W9","(4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione","C30 H45 N O5","C32(C(C5=C(C1(CC(C(=CC1(CC(CC)C(CC2CCC4C3CCCC4O)O)C)C)C)NC5=O)O)=O)C;CC[CH]1C[C]2(C)C=C(C)[CH](C)C[C]23NC(=O)C(=C3O)C(=O)[C]4(C)[CH](CC[CH]5[CH](O)CCC[CH]45)C[CH]1O;CCC1CC2(C=C(C(CC23C(=C(C(=O)C4(C(CCC5C4CCCC5O)CC1O)C)C(=O)N3)O)C)C)C","InChI=1S/C30H45NO5/c1-6-18-15-28(4)13-16(2)17(3)14-30(28)26(35)24(27(36)31-30)25(34)29(5)19(12-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h13,17-23,32-33,35H,6-12,14-15H2,1-5H3,(H,31,36)/t17-,18-,19+,20+,21-,22+,23-,28+,29-,30-/m1/s1","","2015-06-11","2016-02-19","(4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione","2016-02-24"],["EXT","{5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate","C10 H16 N2 O9 P2","O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCOP(=O)(O)O)C;Cc1ncc(CO[P](O)(O)=O)c(C=NCCO[P](O)(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCOP(=O)(O)O)O","InChI=1S/C10H16N2O9P2/c1-7-10(13)9(5-11-2-3-20-22(14,15)16)8(4-12-7)6-21-23(17,18)19/h4-5,13H,2-3,6H2,1H3,(H2,14,15,16)(H2,17,18,19)/b11-5+","","2010-04-05","2011-06-04","{5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate",""],["EXU","1,3,7-trimethyl-9H-purine-2,6,8-trione","C8 H10 N4 O3","CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O;CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C","InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)","","2020-02-18","2020-02-28","1,3,7-trimethyl-9~{H}-purine-2,6,8-trione","2020-03-04"],["4WA","4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide","C12 H12 N4 O2 S","O=S(=O)(N)c1ccc(cc1)N=Nc2ccc(N)cc2;Nc1ccc(cc1)N=Nc2ccc(cc2)[S](N)(=O)=O;c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+","","2015-06-11","2015-07-31","4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide","2015-08-05"],["EXV","3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid","C19 H18 N2 O3","c1(cccc(c1)C2C(CCC2)c3nc4c(n3)cccc4O)C(=O)O;OC(=O)c1cccc(c1)[CH]2CCC[CH]2c3[nH]c4c(O)cccc4n3;c1cc(cc(c1)C(=O)O)C2CCCC2c3[nH]c4c(n3)cccc4O","InChI=1S/C19H18N2O3/c22-16-9-3-8-15-17(16)21-18(20-15)14-7-2-6-13(14)11-4-1-5-12(10-11)19(23)24/h1,3-5,8-10,13-14,22H,2,6-7H2,(H,20,21)(H,23,24)/t13-,14+/m1/s1","","2018-02-08","2018-03-09","3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid","2018-03-14"],["4WB","5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide","C25 H26 Cl N3 O2 S","CN1CCC2(CC1)[CH](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5cccc(Cl)c5;CN1CCC2(CC1)c3ccccc3N(C2c4cccc(c4)Cl)Cc5ccc(s5)C(=O)NO","InChI=1S/C25H26ClN3O2S/c1-28-13-11-25(12-14-28)20-7-2-3-8-21(20)29(23(25)17-5-4-6-18(26)15-17)16-19-9-10-22(32-19)24(30)27-31/h2-10,15,23,31H,11-14,16H2,1H3,(H,27,30)/t23-/m1/s1","","2021-07-07","2022-07-15","5-[[(2~{R})-2-(3-chlorophenyl)-1'-methyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide","2022-07-20"],["4WC","(S)-CYCLOHEXYL LACTIC ACID","C9 H16 O3","O=C(O)C(O)CC1CCCCC1;O[CH](CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)O","InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m0/s1","","2013-08-09","2014-09-05","(2S)-3-cyclohexyl-2-hydroxypropanoic acid","2014-08-20"],["EXW","2-fluoro-3,7,18-dolabellatriene","C20 H31 F","CC(=C)[CH]1CC[C]2(C)CC(=C(C)CCC=C(C)CC[CH]12)F;CC1=CCCC(=C(CC2(CCC(C2CC1)C(=C)C)C)F)C","InChI=1S/C20H31F/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-18H,1,6,8-13H2,2-5H3/b15-7?,19-16-/t17-,18+,20+/m0/s1","","2018-05-03","2018-10-05","(1~{R},3~{a}~{R},12~{a}~{R})-5-fluoranyl-3~{a},6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12~{a}-octahydro-1~{H}-cyclopenta[11]annulene","2018-10-10"],["4WD","(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C13 H9 N O2 S2","COc1ccc(C=C2SC(=S)NC2=O)cc1C#C;COc1ccc(cc1C#C)C=C2C(=O)NC(=S)S2","InChI=1S/C13H9NO2S2/c1-3-9-6-8(4-5-10(9)16-2)7-11-12(15)14-13(17)18-11/h1,4-7H,2H3,(H,14,15,17)/b11-7-","","2021-08-06","2022-03-18","(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2022-03-23"],["EXX","4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole","C12 H10 Br4 N2 O3","Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br;OC[CH]1O[CH](C[CH]1O)n2cnc3c(Br)c(Br)c(Br)c(Br)c23;c1nc2c(n1C3CC(C(O3)CO)O)c(c(c(c2Br)Br)Br)Br","InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1","Tetrabromo-Deoxyribofuranosyl-Benzimidazole","2013-05-30","2020-06-17","4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole","2014-04-09"],["4WE","4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide","C25 H32 F N7 O","CC(C)n1c(C)ncc1c4c(cnc(Nc3ccc(C(NCCN2CCCCC2)=O)cc3)n4)F;CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)NCCN4CCCCC4)ncc2F;Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F","InChI=1S/C25H32FN7O/c1-17(2)33-18(3)28-16-22(33)23-21(26)15-29-25(31-23)30-20-9-7-19(8-10-20)24(34)27-11-14-32-12-5-4-6-13-32/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,27,34)(H,29,30,31)","","2015-06-11","2016-04-29","4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide","2016-05-04"],["EXY","6-[(2R)-oxiran-2-yl]-L-norleucine","C8 H15 N O3","O=C(O)C(N)CCCCC1OC1;N[CH](CCCC[CH]1CO1)C(O)=O;C1C(O1)CCCCC(C(=O)O)N","InChI=1S/C8H15NO3/c9-7(8(10)11)4-2-1-3-6-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1","(2S)-2-amino-7,8-epoxy octanoic acid","2008-06-25","2021-03-13","6-[(2R)-oxiran-2-yl]-L-norleucine",""],["EXZ","4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid","C28 H29 Cl2 N O4","Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2ccc(cc2C)C(=O)O)C1c1ccccc1;Cc1cc(ccc1CN2CCC[CH](O[CH](CO)c3cc(Cl)cc(Cl)c3)[CH]2c4ccccc4)C(O)=O;Cc1cc(ccc1CN2CCCC(C2c3ccccc3)OC(CO)c4cc(cc(c4)Cl)Cl)C(=O)O","InChI=1S/C28H29Cl2NO4/c1-18-12-20(28(33)34)9-10-21(18)16-31-11-5-8-25(27(31)19-6-3-2-4-7-19)35-26(17-32)22-13-23(29)15-24(30)14-22/h2-4,6-7,9-10,12-15,25-27,32H,5,8,11,16-17H2,1H3,(H,33,34)/t25-,26+,27-/m0/s1","","2021-12-14","2023-06-09","4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid","2023-06-14"],["4WF","5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione","C11 H11 N3 O3","O=C1C(=C(O)N(C(=O)N1)Cc2ccccc2)N;NC1=C(O)N(Cc2ccccc2)C(=O)NC1=O;c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O","InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)","","2012-04-27","2014-09-05","5-amino-1-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione","2012-10-26"],["4WG","2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C26 H30 N6 O3","C(Oc1c(ccc(c1)N2CCC(O)CC2)Nc5nc4N(c3ccccc3C(=O)N(C)c4cn5)C)C;CCOc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)N5CCC(O)CC5;CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O","InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)","","2015-06-11","2016-04-29","2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2016-05-04"],["EY0","3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione","C21 H24 F3 N5 O5 S","CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4;Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4CC(CO4)(C)O","InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1","","2020-02-18","2020-12-18","3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione","2020-12-23"],["4WH","4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole","C22 H27 N3 O4 S","CC(C)(C)c1ccc(cc1)S(c2nnn(c2C)c3cc(C)c(OC)cc3OC)(=O)=O;COc1cc(OC)c(cc1C)n2nnc(c2C)[S](=O)(=O)c3ccc(cc3)C(C)(C)C;Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C","InChI=1S/C22H27N3O4S/c1-14-12-18(20(29-7)13-19(14)28-6)25-15(2)21(23-24-25)30(26,27)17-10-8-16(9-11-17)22(3,4)5/h8-13H,1-7H3","","2015-06-11","2017-09-29","4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole","2017-10-04"],["EY1","2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide","C20 H24 N4 O S","c1cc(ccc1C24CC3CC(CC(C2)C3)C4)NC(=O)CSc5nncn5;O=C(CSc1[nH]cnn1)Nc2ccc(cc2)C34CC5CC(CC(C5)C3)C4;c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5","InChI=1S/C20H24N4OS/c25-18(11-26-19-21-12-22-24-19)23-17-3-1-16(2-4-17)20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2,(H,23,25)(H,21,22,24)/t13-,14+,15-,20-","","2018-02-12","2020-06-26","2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide","2020-07-01"],["4WI","(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C23 H34 F3 N5 O4","CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=N)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C=N)C","InChI=1S/C23H34F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h9,11-16,27H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/b27-9+/t11-,12-,13-,14-,15-,16+/m0/s1","PF-07321332, bound form; nirmatrelvir, bound form; Paxlovid, bound form","2021-07-15","2024-09-27","(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2021-11-10"],["EY2","(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium","C16 H18 Br N2","CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13;CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C","InChI=1S/C16H17BrN2/c1-3-19-15-7-4-11(10-18-2)8-14(15)13-6-5-12(17)9-16(13)19/h4-9,18H,3,10H2,1-2H3/p+1","","2018-05-03","2019-05-17","(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium","2019-05-22"],["EY3","5-propan-2-yloxy-1H-indole","C11 H13 N O","CC(C)Oc1ccc2[nH]ccc2c1;CC(C)Oc1ccc2c(c1)cc[nH]2","InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3","","2020-02-18","2022-01-21","5-propan-2-yloxy-1~{H}-indole","2022-01-26"],["4WJ","4-(4-bromo-1H-pyrazol-1-yl)piperidinium","C8 H13 Br N3","c1(cnn(c1)C2CC[NH2+]CC2)Br;Brc1cnn(c1)C2CC[NH2+]CC2;c1c(cn(n1)C2CC[NH2+]CC2)Br","InChI=1S/C8H12BrN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2/p+1","","2015-06-12","2015-08-07","4-(4-bromo-1H-pyrazol-1-yl)piperidinium","2015-08-12"],["4WK","(2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium","C8 H18 N3 O2","CC(C)C(C(=O)N)NC(C([NH3+])C)=O;CC(C)[CH](NC(=O)[CH](C)[NH3+])C(N)=O;CC(C)C(C(=O)N)NC(=O)C(C)[NH3+]","InChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)/p+1/t5-,6-/m0/s1","","2015-06-12","2015-08-07","(2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium","2015-08-12"],["EY4","(3a,5a)-3-Hydroxypregnane-11,20-dione","C21 H32 O3","C32(C4C(CC1(C(CCC1C4CCC2CC(CC3)O)C(=O)C)C)=O)C;CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C(=O)C[C]12C;CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C","InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1","alphaxalone","2018-02-12","2020-06-17","(3beta,5alpha,8alpha,9beta,10alpha)-3-hydroxypregnane-11,20-dione","2018-08-22"],["4WL","4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID","C7 H5 N O2 S","O=C(O)c2cc1sccc1n2;OC(=O)c1[nH]c2ccsc2c1;c1csc2c1[nH]c(c2)C(=O)O","InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)","","2013-02-15","2014-09-05","4H-thieno[3,2-b]pyrrole-5-carboxylic acid","2013-05-15"],["EY5","Erythromycin D","C36 H65 N O12","O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(O)(C2)C)C)C3C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(O)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)C(=O)[CH](C)[CH](O)[CH]1C;CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C","InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1","","2008-04-15","2018-11-12","(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)",""],["4WM","(4R)-4-{[(S)-tert-butoxy(hydroxy)methyl]amino}-5-[(1S)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol","C16 H31 N O4 Se","N(C(O)OC(C)(C)C)C(CCC(O)O)C[Se]C1C=CCCC1;CC(C)(C)O[CH](O)N[CH](CCC(O)O)C[Se][CH]1CCCC=C1;CC(C)(C)OC(NC(CCC(O)O)C[Se]C1CCCC=C1)O","InChI=1S/C16H31NO4Se/c1-16(2,3)21-15(20)17-12(9-10-14(18)19)11-22-13-7-5-4-6-8-13/h5,7,12-15,17-20H,4,6,8-11H2,1-3H3/t12-,13-,15+/m1/s1","","2015-06-12","2015-11-13","(4R)-4-{[(S)-tert-butoxy(hydroxy)methyl]amino}-5-[(1S)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol","2015-11-18"],["EY6","5-(2-fluoranylethoxy)-1H-indole","C10 H10 F N O","FCCOc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1OCCF","InChI=1S/C10H10FNO/c11-4-6-13-9-1-2-10-8(7-9)3-5-12-10/h1-3,5,7,12H,4,6H2","","2020-02-18","2021-02-19","5-(2-fluoranylethoxy)-1~{H}-indole","2021-02-24"],["EY7","3-(3-methoxyquinoxalin-2-yl)propanoic acid","C12 H12 N2 O3","OC(=O)CCc2c(nc1c(cccc1)n2)OC;COc1nc2ccccc2nc1CCC(O)=O;COc1c(nc2ccccc2n1)CCC(=O)O","InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16)","","2018-02-12","2018-02-23","3-(3-methoxyquinoxalin-2-yl)propanoic acid","2018-02-28"],["4WN","2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","C15 H20 N4","C2Cc1cccc(c1CN2CCc3nccn3C)N;Cn1ccnc1CCN2CCc3cccc(N)c3C2;Cn1ccnc1CCN2CCc3cccc(c3C2)N","InChI=1S/C15H20N4/c1-18-10-7-17-15(18)6-9-19-8-5-12-3-2-4-14(16)13(12)11-19/h2-4,7,10H,5-6,8-9,11,16H2,1H3","","2015-06-12","2016-06-24","2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["4WO","methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate","C13 H18 N2 O2","C1N(Cc2c(C1)cccc2N)CCC(OC)=O;COC(=O)CCN1CCc2cccc(N)c2C1;COC(=O)CCN1CCc2cccc(c2C1)N","InChI=1S/C13H18N2O2/c1-17-13(16)6-8-15-7-5-10-3-2-4-12(14)11(10)9-15/h2-4H,5-9,14H2,1H3","","2015-06-12","2016-06-24","methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate","2016-06-29"],["EY8","[(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide","C18 H16 F N3 O6 S","N[S](=O)(=O)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3;c1cc2c(cc1C(=O)N3c4ccc(cc4OCC3CS(=O)(=O)N)F)NC(=O)CO2","InChI=1S/C18H16FN3O6S/c19-11-2-3-14-16(6-11)27-7-12(9-29(20,25)26)22(14)18(24)10-1-4-15-13(5-10)21-17(23)8-28-15/h1-6,12H,7-9H2,(H,21,23)(H2,20,25,26)/t12-/m1/s1","","2018-05-04","2019-01-04","[(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide","2019-01-09"],["4WP","methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate","C13 H17 N O2","C1N(Cc2c(C1)cccc2)CCC(=O)OC;COC(=O)CCN1CCc2ccccc2C1;COC(=O)CCN1CCc2ccccc2C1","InChI=1S/C13H17NO2/c1-16-13(15)7-9-14-8-6-11-4-2-3-5-12(11)10-14/h2-5H,6-10H2,1H3","","2015-06-12","2016-06-24","methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate","2016-06-29"],["EY9","5-(2-methoxyethoxy)-1H-indole","C11 H13 N O2","COCCOc1ccc2[nH]ccc2c1;COCCOc1ccc2c(c1)cc[nH]2","InChI=1S/C11H13NO2/c1-13-6-7-14-10-2-3-11-9(8-10)4-5-12-11/h2-5,8,12H,6-7H2,1H3","","2020-02-18","2021-02-19","5-(2-methoxyethoxy)-1~{H}-indole","2021-02-24"],["EYA","3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid","C12 H12 N2 O3","C=1(N(C)C(=O)c2c(N=1)cccc2)CCC(O)=O;CN1C(=Nc2ccccc2C1=O)CCC(O)=O;CN1C(=Nc2ccccc2C1=O)CCC(=O)O","InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)","","2018-02-12","2018-02-23","3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid","2018-02-28"],["4WQ","(2S)-2-amino-7,7-dimethyloctanoic acid","C10 H21 N O2","NC(C(=O)O)CCCCC(C)(C)C;CC(C)(C)CCCC[CH](N)C(O)=O;CC(C)(C)CCCCC(C(=O)O)N","InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1","","2015-06-12","2024-09-27","(2S)-2-amino-7,7-dimethyloctanoic acid","2015-07-01"],["EYB","[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium","C19 H20 N3 O","CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4;CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C","InChI=1S/C19H19N3O/c1-3-22-18-7-4-13(10-20-2)8-17(18)16-6-5-14(9-19(16)22)15-11-21-23-12-15/h4-9,11-12,20H,3,10H2,1-2H3/p+1","","2018-05-04","2019-05-17","[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium","2019-05-22"],["4WR","1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione","C7 H11 F N4 O2","C1(N(C=C(C(N1)=O)F)CC(N)CN)=O;NC[CH](N)CN1C=C(F)C(=O)NC1=O;C1=C(C(=O)NC(=O)N1CC(CN)N)F","InChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m1/s1","","2015-06-14","2015-07-24","1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione","2015-07-29"],["EYC","2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}","C18 H14 Cl2 N2 O8 S2","O=C(CCl)Nc2ccc(C#Cc1c(cc(cc1)NC(=O)CCl)S(=O)(=O)O)c(c2)S(O)(=O)=O;O[S](=O)(=O)c1cc(NC(=O)CCl)ccc1C#Cc2ccc(NC(=O)CCl)cc2[S](O)(=O)=O;c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl","InChI=1S/C18H14Cl2N2O8S2/c19-9-17(23)21-13-5-3-11(15(7-13)31(25,26)27)1-2-12-4-6-14(22-18(24)10-20)8-16(12)32(28,29)30/h3-8H,9-10H2,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)","","2015-07-07","2024-09-27","2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}","2016-03-30"],["4WS","N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide","C10 H18 N2 O4","O=C(C)NCC1N2C(C(C1O)O)C(CC2)O;CC(=O)NC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCN12;CC(=O)NCC1C(C(C2N1CCC2O)O)O","InChI=1S/C10H18N2O4/c1-5(13)11-4-6-9(15)10(16)8-7(14)2-3-12(6)8/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7+,8-,9-,10-/m1/s1","","2015-06-15","2015-09-04","N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide","2015-09-09"],["4WT","4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline","C11 H15 N","C2NCc1ccccc1C2(C)C;CC1(C)CNCc2ccccc12;CC1(CNCc2c1cccc2)C","InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3","","2015-06-15","2016-06-24","4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline","2016-06-29"],["EYE","[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium","C21 H23 N2 S","CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4sc(C)cc4;CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C","InChI=1S/C21H22N2S/c1-4-23-19-9-6-15(13-22-3)11-18(19)17-8-7-16(12-20(17)23)21-10-5-14(2)24-21/h5-12,22H,4,13H2,1-3H3/p+1","","2018-05-04","2019-05-17","[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium","2019-05-22"],["4WU","1,2,3,4-tetrahydroisoquinolin-8-amine","C9 H12 N2","C1CNCc2c1cccc2N;Nc1cccc2CCNCc12;c1cc2c(c(c1)N)CNCC2","InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2","","2015-06-15","2016-06-24","1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EYF","1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide","C16 H15 N3 O3","COc1cccc(Cn2ccc3cc(cnc23)C(=O)NO)c1;COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO","InChI=1S/C16H15N3O3/c1-22-14-4-2-3-11(7-14)10-19-6-5-12-8-13(16(20)18-21)9-17-15(12)19/h2-9,21H,10H2,1H3,(H,18,20)","","2020-02-19","2021-02-19","1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide","2021-02-24"],["4WV","bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappaS:2kappaS)diiron(2+)","C7 H4 Fe2 N2 O4 S2","O=C1[Fe]|2(S|3COCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+];C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]","InChI=1S/C2H4OS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;;","oxodithiolato-bridged [2Fe2S] cluster","2015-06-15","2021-03-01","","2015-11-11"],["EYG","{(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid","C16 H21 N3 O5 S","O=C(O)CN1C(=O)/C(NC1(O)C(N)CCSC)=C/c2ccc(O)cc2;CSCC[CH](N)[C]1(O)NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CSCCC(C1(NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)O)N","InChI=1S/C16H21N3O5S/c1-25-7-6-13(17)16(24)18-12(15(23)19(16)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,13,18,20,24H,6-7,9,17H2,1H3,(H,21,22)/b12-8-/t13-,16-/m1/s1","CHROMOPHORE (MET-TYR-GLY)","2010-08-24","2024-09-27","[(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid",""],["EYH","(4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one","C28 H27 Cl2 N5 O3","COc1ncc(c(OC)n1)c2nc3C(=O)N([CH](c4ccc(Cl)cc4C)c3n2C(C)C)c5cc(Cl)ccc5C;Cc1ccc(cc1N2C(c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl","InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3/t23-/m0/s1","","2018-05-04","2018-09-21","(4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one","2018-09-26"],["4WW","bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~]\ndiiron(2+)","C8 H6 Fe2 N2 O3 S2","O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+];C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+]","InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5;5*1-2;;/h1-3H2;;;;;;;/q;;;;2*+1;;","propane-dithiolato-bridged [2Fe2S] cluster","2015-06-15","2020-06-17","","2015-11-11"],["4WX","bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+)","C7 H4 Fe2 N2 O3 S3","O=C1[Fe]|2(S|3CSCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+];C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]","InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;;","sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster","2015-06-15","2020-06-17","","2015-11-11"],["EYI","4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine","C22 H21 F N4","Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45;c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc5c4cc[nH]5)F","InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25)","","2022-01-17","2023-01-13","4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine","2023-01-18"],["4WY","{[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)","C10 H22 O26 P6","O=P(CC(=O)OC1C(OP(O)(O)=O)C(C(C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OC(=O)CP(O)(=O)O)(O)O;O[P](O)(=O)CC(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](OC(=O)C[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C(=O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O","InChI=1S/C10H22O26P6/c11-3(1-37(13,14)15)31-5-7(33-39(19,20)21)6(32-4(12)2-38(16,17)18)9(35-41(25,26)27)10(36-42(28,29)30)8(5)34-40(22,23)24/h5-10H,1-2H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t5-,6+,7-,8-,9-,10-/m0/s1","","2015-06-15","2015-07-17","{[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)","2015-07-22"],["EYJ","3-(1,3-benzothiazol-2-yl)propanoic acid","C10 H9 N O2 S","C(Cc1sc2c(n1)cccc2)C(O)=O;OC(=O)CCc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)CCC(=O)O","InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)","","2018-02-12","2018-02-23","3-(1,3-benzothiazol-2-yl)propanoic acid","2018-02-28"],["4WZ","{[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)","C8 H24 O28 P8","C1(C(C(C(C(C1OP(O)(O)=O)OP(O)(=O)O)OP(O)(O)=O)OP(CP(=O)(O)O)(O)=O)OP(O)(O)=O)OP(O)(=O)CP(O)(=O)O;O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)C[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(P(=O)(O)O)P(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C8H24O28P8/c9-37(10,11)1-39(15,16)31-3-5(33-41(19,20)21)4(32-40(17,18)2-38(12,13)14)7(35-43(25,26)27)8(36-44(28,29)30)6(3)34-42(22,23)24/h3-8H,1-2H2,(H,15,16)(H,17,18)(H2,9,10,11)(H2,12,13,14)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t3-,4+,5-,6-,7-,8-/m0/s1","","2015-06-15","2015-07-17","{[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)","2015-07-22"],["EYK","2-tert-butylbenzene-1,4-diol","C10 H14 O2","Oc1ccc(O)cc1C(C)(C)C;CC(C)(C)c1cc(O)ccc1O;CC(C)(C)c1cc(ccc1O)O","InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3","","2008-10-30","2011-06-04","2-tert-butylbenzene-1,4-diol",""],["EYL","~{N}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide","C15 H13 N3 O2","ONC(=O)c1ccnc2n(Cc3ccccc3)ccc12;c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO","InChI=1S/C15H13N3O2/c19-15(17-20)13-6-8-16-14-12(13)7-9-18(14)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,17,19)","","2020-02-19","2021-02-19","~{N}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide","2021-02-24"],["4X1","3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine","C12 H18 N2","C1N(Cc2c(C1)cccc2)CCCN;NCCCN1CCc2ccccc2C1;c1ccc2c(c1)CCN(C2)CCCN","InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2","","2015-06-16","2016-06-24","3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine","2016-06-29"],["4X2","(2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid","C10 H15 N4 O6 P","n1(cnc2c1N=CNC2=O)CC(OCCP(O)(O)=O)CO;OC[CH](Cn1cnc2C(=O)NC=Nc12)OCC[P](O)(O)=O;c1nc2c(n1CC(CO)OCCP(=O)(O)O)N=CNC2=O","InChI=1S/C10H15N4O6P/c15-4-7(20-1-2-21(17,18)19)3-14-6-13-8-9(14)11-5-12-10(8)16/h5-7,15H,1-4H2,(H,11,12,16)(H2,17,18,19)/t7-/m0/s1","","2015-06-16","2015-10-09","(2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid","2015-10-14"],["EYM","3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid","C12 H12 N2 O3","c2ccc1c(N=C(C(=O)N1C)CCC(O)=O)c2;CN1C(=O)C(=Nc2ccccc12)CCC(O)=O;CN1c2ccccc2N=C(C1=O)CCC(=O)O","InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)","","2018-02-12","2018-02-23","3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid","2018-02-28"],["4X3","2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine","C11 H16 N2","C1N(Cc2c(C1)c(N)ccc2)CC;CCN1CCc2c(N)cccc2C1;CCN1CCc2c(cccc2N)C1","InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3","","2015-06-16","2016-06-24","2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine","2016-06-29"],["EYN","2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide","C24 H26 F N3 O5","CNC(=O)C[CH]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c3ccc4OCC(=O)Nc4c3;CC(C)Cc1cc2c(cc1F)OCC(N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC","InChI=1S/C24H26FN3O5/c1-13(2)6-15-8-19-21(10-17(15)25)32-11-16(9-22(29)26-3)28(19)24(31)14-4-5-20-18(7-14)27-23(30)12-33-20/h4-5,7-8,10,13,16H,6,9,11-12H2,1-3H3,(H,26,29)(H,27,30)/t16-/m0/s1","","2018-05-04","2019-01-04","2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide","2019-01-09"],["4X4","N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide","C21 H18 N4 O3","O=C(NCCC4=C1C(=CC=C(OC)N1)n3cc2cccnc2c34)c5occc5;COC1=CC=C2n3cc4cccnc4c3C(=C2N1)CCNC(=O)c5occc5;COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5","InChI=1S/C21H18N4O3/c1-27-17-7-6-15-19(24-17)14(8-10-23-21(26)16-5-3-11-28-16)20-18-13(12-25(15)20)4-2-9-22-18/h2-7,9,11-12,24H,8,10H2,1H3,(H,23,26)","","2010-09-28","2011-06-04","N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide",""],["EYO","1,4,7,10,13-pentaoxacyclopentadecane","C10 H20 O5","C1COCCOCCOCCOCCO1;C1COCCOCCOCCOCCO1","InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2","","2020-02-21","2020-06-05","1,4,7,10,13-pentaoxacyclopentadecane","2020-06-10"],["4X6","2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine","C10 H14 N2","C1N(Cc2c(C1)c(N)ccc2)C;CN1CCc2c(N)cccc2C1;CN1CCc2c(cccc2N)C1","InChI=1S/C10H14N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-4H,5-7,11H2,1H3","","2015-06-16","2016-06-24","2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine","2016-06-29"],["EYP","3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid","C14 H12 N2 O4 S2","OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O;OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1;c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O","InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20)","","2018-02-12","2018-02-23","3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid","2018-02-28"],["4X7","(2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid","C10 H16 N5 O6 P","c12c(C(=O)NC(N)=N1)ncn2CC(OCCP(O)(O)=O)CO;NC1=Nc2n(C[CH](CO)OCC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(CO)OCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)21-1-2-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m0/s1","","2015-06-16","2015-09-18","(2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid","2015-09-23"],["EYQ","~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide","C25 H31 N7 O2","C[CH](N1CCN(C)CC1)C(=O)Nc2cccc3c2[nH]cc3c4nc(NC(=O)C5CC5)ncc4C;Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)C(C)N4CCN(CC4)C)NC(=O)C5CC5","InChI=1S/C25H31N7O2/c1-15-13-27-25(30-24(34)17-7-8-17)29-21(15)19-14-26-22-18(19)5-4-6-20(22)28-23(33)16(2)32-11-9-31(3)10-12-32/h4-6,13-14,16-17,26H,7-12H2,1-3H3,(H,28,33)(H,27,29,30,34)/t16-/m1/s1","","2018-05-04","2019-05-17","~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide","2019-05-22"],["EYR","(6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene","C40 H68","CC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1","","2020-02-26","2020-10-30","(6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene","2020-11-04"],["4X8","2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","C16 H20 N4","C1N(Cc2c(C1)cccc2N)Cc3c(c(ccn3)N)C;Cc1c(N)ccnc1CN2CCc3cccc(N)c3C2;Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N","InChI=1S/C16H20N4/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19)","","2015-06-16","2016-06-24","2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EYS","S-SELANYLCYSTEINAL","C3 H8 N O S Se","O=CC([NH3+])CS[SeH];[NH3+][CH](CS[SeH])C=O;C(C(C=O)[NH3+])S[SeH]","InChI=1S/C3H7NOSSe/c4-3(1-5)2-6-7/h1,3,7H,2,4H2/p+1/t3-/m1/s1","","1999-07-08","2018-10-30","(2R)-1-oxo-3-(selanylsulfanyl)propan-2-aminium",""],["4X9","3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol","C20 H15 Cl F3 N O3","Clc1c(O)c(c(nc1C)C)c3ccc(Oc2ccc(OC(F)(F)F)cc2)cc3;Cc1nc(C)c(c(O)c1Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2;Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F","InChI=1S/C20H15ClF3NO3/c1-11-17(19(26)18(21)12(2)25-11)13-3-5-14(6-4-13)27-15-7-9-16(10-8-15)28-20(22,23)24/h3-10H,1-2H3,(H,25,26)","","2014-11-17","2015-01-09","3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol","2015-01-14"],["EYT","[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate","C24 H26 B Br N8 O10 P S","NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCC(=O)Nc7sccn7)ccc(Br)c16;[B-]12(c3c(ccc(c3C(O1)CN)Br)OCCC(=O)Nc4nccs4)OC5C(OC(C5O2)n6cnc7c6ncnc7N)COP(=O)(O)O","InChI=1S/C24H26BBrN8O10PS/c26-11-1-2-12(39-5-3-15(35)33-24-29-4-6-46-24)17-16(11)13(7-27)42-25(17)43-19-14(8-40-45(36,37)38)41-23(20(19)44-25)34-10-32-18-21(28)30-9-31-22(18)34/h1-2,4,6,9-10,13-14,19-20,23H,3,5,7-8,27H2,(H2,28,30,31)(H,29,33,35)(H2,36,37,38)/q-1/t13-,14-,19-,20-,23-,25+/m1/s1","","2018-05-04","2024-06-07","[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate","2024-06-12"],["4XA","3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide","C22 H19 N3 O2","c1c(C)c(cc2c1cn(c2)c4cc(C(=O)NN=[C@H]c3occc3)ccc4)C;Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4occc4;Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4ccco4","InChI=1S/C22H19N3O2/c1-15-9-18-13-25(14-19(18)10-16(15)2)20-6-3-5-17(11-20)22(26)24-23-12-21-7-4-8-27-21/h3-14H,1-2H3,(H,24,26)/b23-12+","","2015-06-16","2016-12-16","3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide","2016-12-21"],["EYV","(1,3-benzothiazol-2-yl)acetic acid","C9 H7 N O2 S","C(C(O)=O)c2sc1c(cccc1)n2;OC(=O)Cc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)CC(=O)O","InChI=1S/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)","","2018-02-12","2018-02-23","(1,3-benzothiazol-2-yl)acetic acid","2018-02-28"],["4XB","3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate","C23 H25 N O5","O=C(OCc1cccc(OC)c1)c4oc3cccc(OC2CCNCC2)c3c4C;COc1cccc(COC(=O)c2oc3cccc(OC4CCNCC4)c3c2C)c1;Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC","InChI=1S/C23H25NO5/c1-15-21-19(28-17-9-11-24-12-10-17)7-4-8-20(21)29-22(15)23(25)27-14-16-5-3-6-18(13-16)26-2/h3-8,13,17,24H,9-12,14H2,1-2H3","","2012-07-09","2014-09-05","3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate","2012-10-12"],["4XC","3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide","C13 H19 N3 O","C1N(Cc2c(C1)cccc2N)CCC(NC)=O;CNC(=O)CCN1CCc2cccc(N)c2C1;CNC(=O)CCN1CCc2cccc(c2C1)N","InChI=1S/C13H19N3O/c1-15-13(17)6-8-16-7-5-10-3-2-4-12(14)11(10)9-16/h2-4H,5-9,14H2,1H3,(H,15,17)","","2015-06-16","2016-06-24","3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide","2016-06-29"],["EYW","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{R})-pyrrolidin-3-yl]pentanamide","C14 H24 N4 O2 S","O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3CCNC3;C1CNCC1NC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C14H24N4O2S/c19-12(16-9-5-6-15-7-9)4-2-1-3-11-13-10(8-21-11)17-14(20)18-13/h9-11,13,15H,1-8H2,(H,16,19)(H2,17,18,20)/t9-,10+,11+,13+/m1/s1","","2018-05-07","2018-10-05","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{R})-pyrrolidin-3-yl]pentanamide","2018-10-10"],["EYY","3-(quinolin-2-yl)propanoic acid","C12 H11 N O2","C(C(O)=O)Cc2ccc1ccccc1n2;OC(=O)CCc1ccc2ccccc2n1;c1ccc2c(c1)ccc(n2)CCC(=O)O","InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)","","2018-02-12","2018-02-23","3-(quinolin-2-yl)propanoic acid","2018-02-28"],["4XD","2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine","C12 H18 N2 O","C1N(Cc2c(C1)cccc2N)CCOC;COCCN1CCc2cccc(N)c2C1;COCCN1CCc2cccc(c2C1)N","InChI=1S/C12H18N2O/c1-15-8-7-14-6-5-10-3-2-4-12(13)11(10)9-14/h2-4H,5-9,13H2,1H3","","2015-06-16","2016-06-24","2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EYZ","(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid","C16 H22 N2 O5 S","N[CH](CCCCNC(=O)C[CH](Sc1ccccc1)C(O)=O)C(O)=O;c1ccc(cc1)SC(CC(=O)NCCCCC(C(=O)O)N)C(=O)O","InChI=1S/C16H22N2O5S/c17-12(15(20)21)8-4-5-9-18-14(19)10-13(16(22)23)24-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13+/m0/s1","","2018-05-08","2024-09-27","(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid","2018-05-16"],["4XE","4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium","C11 H22 N3 O","C(=O)(CN1CC[NH2+]CC1)N2CCCCC2;O=C(CN1CC[NH2+]CC1)N2CCCCC2;C1CCN(CC1)C(=O)CN2CC[NH2+]CC2","InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1","","2015-06-17","2015-08-07","4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium","2015-08-12"],["4XF","(2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium","C8 H13 N4 O","CC([NH3+])C(=O)Nc1cccc(n1)N;C[CH]([NH3+])C(=O)Nc1cccc(N)n1;CC(C(=O)Nc1cccc(n1)N)[NH3+]","InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/p+1/t5-/m0/s1","","2015-06-17","2015-08-07","(2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium","2015-08-12"],["EZ1","4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide","C9 H11 N O2 S Se","c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O;N[S](=O)(=O)c1ccc([Se]CC=C)cc1;C=CC[Se]c1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)","","2018-02-13","2018-05-18","4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide","2018-05-23"],["4XG","2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","C14 H23 N3","C1N(Cc2c(C1)cccc2N)CCCN(C)C;CN(C)CCCN1CCc2cccc(N)c2C1;CN(C)CCCN1CCc2cccc(c2C1)N","InChI=1S/C14H23N3/c1-16(2)8-4-9-17-10-7-12-5-3-6-14(15)13(12)11-17/h3,5-6H,4,7-11,15H2,1-2H3","","2015-06-17","2016-06-24","2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EZ2","~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide","C22 H21 N5 O2","C[CH](NC(=O)CCC1=NC(=O)c2ccccc2N1)c3ccc(cc3)n4ccnc4;CC(c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3","InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)/t15-/m1/s1","","2018-05-08","2019-05-17","~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide","2019-05-22"],["4XH","5-BROMOQUINOLINE","C9 H6 Br N","Brc1cccc2ncccc12;Brc1cccc2ncccc12;c1cc2c(cccn2)c(c1)Br","InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H","","2015-02-12","2015-05-08","5-bromoquinoline","2015-05-13"],["EZ3","(3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","C16 H20 O6","C[CH]1CCC[CH](O1)[CH](O)[CH]2Cc3cc(O)cc(O)c3C(=O)O2;CC1CCCC(O1)C(C2Cc3cc(cc(c3C(=O)O2)O)O)O","InChI=1S/C16H20O6/c1-8-3-2-4-12(21-8)15(19)13-6-9-5-10(17)7-11(18)14(9)16(20)22-13/h5,7-8,12-13,15,17-19H,2-4,6H2,1H3/t8-,12+,13+,15+/m0/s1","","2020-02-26","2021-04-16","(3~{R})-3-[(~{R})-[(2~{R},6~{S})-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","2021-04-21"],["4XI","5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide","C25 H26 Cl N3 O2 S","CN1CCC2(CC1)[CH](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5ccc(Cl)cc5;CN1CCC2(CC1)c3ccccc3N(C2c4ccc(cc4)Cl)Cc5ccc(s5)C(=O)NO","InChI=1S/C25H26ClN3O2S/c1-28-14-12-25(13-15-28)20-4-2-3-5-21(20)29(23(25)17-6-8-18(26)9-7-17)16-19-10-11-22(32-19)24(30)27-31/h2-11,23,31H,12-16H2,1H3,(H,27,30)/t23-/m0/s1","","2021-07-07","2022-07-15","5-[[(2~{S})-2-(4-chlorophenyl)-1'-methyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide","2022-07-20"],["EZ4","(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide","C5 H9 N O6","O=NC(=O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C(=O)N=O;C(C(C(C(C(=O)N=O)O)O)O)O","InChI=1S/C5H9NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10H,1H2/t2-,3-,4+/m1/s1","","2011-04-11","2012-04-06","(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxopentanamide (non-preferred name)",""],["4XJ","2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine","C14 H22 N2 O2","COCC(N2CCc1cccc(c1C2)N)COC;COCC(COC)N1CCc2cccc(N)c2C1;COCC(COC)N1CCc2cccc(c2C1)N","InChI=1S/C14H22N2O2/c1-17-9-12(10-18-2)16-7-6-11-4-3-5-14(15)13(11)8-16/h3-5,12H,6-10,15H2,1-2H3","","2015-06-17","2016-06-24","2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EZ5","~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide","C34 H55 N O10","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CNC(C)=O;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)O)O)C(C)CNC(=O)C)O)C)COC","InChI=1S/C34H55NO10/c1-9-33(5,6)43-16-24-28(39)29(40)30(41)32(44-24)45-31-26-22(17(2)14-35-19(4)36)12-25(37)34(26,7)13-23-20(15-42-8)10-11-21(23)18(3)27(31)38/h9,13,17-18,20-21,24-25,27-32,37-41H,1,10-12,14-16H2,2-8H3,(H,35,36)/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1","","2018-05-08","2018-07-27","~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide","2018-08-01"],["4XK","2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine","C17 H26 N2 O2","C1N(Cc2c(C1)c(N)ccc2)CCCOC3CCOCC3;Nc1cccc2CN(CCCOC3CCOCC3)CCc12;c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3","InChI=1S/C17H26N2O2/c18-17-4-1-3-14-13-19(9-5-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2","","2015-06-17","2016-06-24","2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine","2016-06-29"],["EZ6","1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid","C24 H17 F4 N7 O2","CNc1cc(F)cc2c1[nH]c3ncc(c4cnc(nc4)C5(CC5)C(O)=O)c(n6ccc(n6)C(F)(F)F)c23;CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F","InChI=1S/C24H17F4N7O2/c1-29-15-7-12(25)6-13-17-19(35-5-2-16(34-35)24(26,27)28)14(10-30-20(17)33-18(13)15)11-8-31-21(32-9-11)23(3-4-23)22(36)37/h2,5-10,29H,3-4H2,1H3,(H,30,33)(H,36,37)","","2020-02-27","2020-08-28","1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid","2020-09-02"],["4XL","2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","C16 H25 N3 O","C1N(Cc2c(C1)cccc2N)CCCN3CCOCC3;Nc1cccc2CCN(CCCN3CCOCC3)Cc12;c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3","InChI=1S/C16H25N3O/c17-16-4-1-3-14-5-8-19(13-15(14)16)7-2-6-18-9-11-20-12-10-18/h1,3-4H,2,5-13,17H2","","2015-06-17","2016-06-24","2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EZ7","N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide","C28 H27 N9 O3","c2c(cc1nc(oc1c2)c3ccnc(c3)C(N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C)=O)NC(C)=O;Cn1nnc(n1)[CH](N2CCN(CC2)C(=O)c3cc(ccn3)c4oc5ccc(NC(C)=O)cc5n4)c6ccccc6;CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C","InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1","","2018-02-14","2019-02-08","N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide","2019-02-13"],["4XM","2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","C17 H26 N2 O2","C1N(Cc2c(C1)cccc2N)CCCOC3CCOCC3;Nc1cccc2CCN(CCCOC3CCOCC3)Cc12;c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3","InChI=1S/C17H26N2O2/c18-17-4-1-3-14-5-9-19(13-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2","","2015-06-17","2016-06-24","2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","2016-06-29"],["EZ8","[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium","C35 H48 Cl N6 O10","[NH3+]Cc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3C[CH]([CH](C[CH]3OCCCl)C(=O)NCc4ccc(CO)cc4)C(=O)NCc5ccc(CO)cc5;c1cc(ccc1CNC(=O)C2CC(C(CC2C(=O)NCc3ccc(cc3)CO)OC4C(C(C(C(O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO","InChI=1S/C35H47ClN6O10/c36-9-10-50-27-11-25(33(48)38-14-20-1-5-22(17-43)6-2-20)26(34(49)39-15-21-3-7-23(18-44)8-4-21)12-28(27)51-35-30(42-16-24(13-37)40-41-42)32(47)31(46)29(19-45)52-35/h1-8,16,25-32,35,43-47H,9-15,17-19,37H2,(H,38,48)(H,39,49)/p+1/t25-,26-,27-,28-,29+,30-,31+,32+,35-/m0/s1","","2018-05-10","2019-09-06","[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium","2019-09-11"],["4XN","6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one","C28 H29 N5 O2","c1c(ccc2n(C)ncc12)c3ccc(cc3)C4=NC7(C(=O)N4CC5CN(CC5)C(=O)C6CC6)CC7;Cn1ncc2cc(ccc12)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[CH]6CCN(C6)C(=O)C7CC7;Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4CC6CCN(C6)C(=O)C7CC7","InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m1/s1","","2015-06-17","2016-06-17","6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one","2016-06-22"],["EZ9","3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid","C26 H23 F4 N7 O3","CCNc1cc(F)cc2c1[nH]c3ncc(c4cnc(OCC(C)(C)C(O)=O)nc4)c(n5ccc(n5)C(F)(F)F)c23;CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F","InChI=1S/C26H23F4N7O3/c1-4-31-17-8-14(27)7-15-19-21(37-6-5-18(36-37)26(28,29)30)16(11-32-22(19)35-20(15)17)13-9-33-24(34-10-13)40-12-25(2,3)23(38)39/h5-11,31H,4,12H2,1-3H3,(H,32,35)(H,38,39)","","2020-02-27","2020-08-28","3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid","2020-09-02"],["EZA","N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide","C39 H52 F2 N6 O8","C(Cc1cc(F)cc(c1)F)(C(=O)NC2C(N5C(C(N4C(C(NC(C(N3C(C(OC2)=O)CC(C3)C)=O)C)=O)CCCC4)=O)CCC5)=O)NC(C=[C@H]CCCC)=O;CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O;CCCCC=CC(=O)NC(Cc1cc(cc(c1)F)F)C(=O)NC2COC(=O)C3CC(CN3C(=O)C(NC(=O)C4CCCCN4C(=O)C5CCCN5C2=O)C)C","InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/b13-7+/t23-,24-,28+,29+,30+,31+,32+/m1/s1","","2018-02-15","2018-05-11","N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide","2018-05-16"],["4XO","6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile","C21 H16 N8","c1c(cn4c1cc(c(Nc2ncnc(n2)Nc3ccc(C#N)cc3)c4C)C)C#N;Cc1cc2cc(cn2c(C)c1Nc3ncnc(Nc4ccc(cc4)C#N)n3)C#N;Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N","InChI=1S/C21H16N8/c1-13-7-18-8-16(10-23)11-29(18)14(2)19(13)27-21-25-12-24-20(28-21)26-17-5-3-15(9-22)4-6-17/h3-8,11-12H,1-2H3,(H2,24,25,26,27,28)","","2015-06-17","2015-07-24","6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile","2015-07-29"],["EZB","5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one","C18 H13 N3 O","Cc1c(ccc2N=CNC(=O)c12)c3cccc4ncccc34;Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4","InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)","","2018-05-10","2018-05-18","5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one","2018-05-23"],["4XP","4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)","C9 H14 N6","C(Cc1nnn(C)c1)Cc2nnn(c2)C;Cn1cc(CCCc2cn(C)nn2)nn1;Cn1cc(nn1)CCCc2cn(nn2)C","InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3","","2015-06-18","2024-09-27","4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)","2016-06-29"],["4XQ","4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)","C15 H26 N6","C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C;CCCn1cc(CCCCCc2cn(CCC)nn2)nn1;CCCn1cc(nn1)CCCCCc2cn(nn2)CCC","InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3","","2015-06-18","2024-09-27","4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)","2016-06-29"],["EZC","2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid","C20 H24 Cl2 O4","CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3;CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3","InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1","","2020-02-27","2020-10-30","2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid","2020-11-04"],["EZE","trans-oxyresveratrol","C14 H12 O4","Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1;c1cc(c(cc1O)O)C=Cc2cc(cc(c2)O)O","InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+","","2018-05-10","2018-09-07","4-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol","2018-09-12"],["4XR","(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol","C6 H12 N2 O2","OC1C(N)CC=C(O1)CN;NCC1=CC[CH](N)[CH](O)O1;C1C=C(OC(C1N)O)CN","InChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1,5-6,9H,2-3,7-8H2/t5-,6+/m1/s1","","2015-06-18","2016-01-29","(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol","2016-02-03"],["4XS","4,6-dichloro-2-cyclopropyl-5-methylpyrimidine","C8 H8 Cl2 N2","c1(Cl)c(C)c(nc(n1)C2CC2)Cl;Cc1c(Cl)nc(nc1Cl)C2CC2;Cc1c(nc(nc1Cl)C2CC2)Cl","InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3","","2015-06-18","2015-09-25","4,6-dichloro-2-cyclopropyl-5-methylpyrimidine","2015-09-30"],["EZF","methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate","C28 H31 Cl N6 O4","COC(=O)c1ccc(CN2CCC(O)(CC2)CN3C=Nc4c(nn(C)c4c5ccc(CN)cc5)C3=O)c(Cl)c1;Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN","InChI=1S/C28H31ClN6O4/c1-33-25(19-5-3-18(14-30)4-6-19)23-24(32-33)26(36)35(17-31-23)16-28(38)9-11-34(12-10-28)15-21-8-7-20(13-22(21)29)27(37)39-2/h3-8,13,17,38H,9-12,14-16,30H2,1-2H3","","2020-02-27","2021-03-05","methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate","2021-03-10"],["EZG","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide","C15 H19 N5 O5","c2(CC(N)C(NC(C(c1ccc([N+]([O-])=O)cc1)O)CO)=O)ncnc2;N[CH](Cc1c[nH]cn1)C(=O)N[CH](CO)[CH](O)c2ccc(cc2)[N+]([O-])=O;c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)[N+](=O)[O-]","InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13+,14+/m0/s1","","2018-02-16","2018-03-02","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide","2018-03-07"],["4XU","6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine","C23 H24 Cl N5 O S","c3(c(c(Cl)nc(OCCCc2ccc1c(cccc1)n2)n3)C)NCc4c(C)nc(C)s4;Cc1sc(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)c(C)n1;Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C","InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29)","","2015-06-18","2015-10-02","6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine","2015-10-07"],["4XV","6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine","C8 H10 Cl N3","c1(N)c(c(nc(n1)C2CC2)Cl)C;Cc1c(N)nc(nc1Cl)C2CC2;Cc1c(nc(nc1Cl)C2CC2)N","InChI=1S/C8H10ClN3/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3,(H2,10,11,12)","","2015-06-18","2015-09-25","6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine","2015-09-30"],["EZH","cis-oxyresveratrol","C14 H12 O4","Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1;c1cc(c(cc1O)O)C=Cc2cc(cc(c2)O)O","InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1-","","2018-05-10","2018-09-07","4-[(~{Z})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol","2018-09-12"],["4XW","(5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid","C20 H36 O2","C1(C=CCC(C1CCC(CCCC(C)CC(=O)O)C)C)(C)C;C[CH](CCC[CH](C)CC(O)=O)CC[CH]1[CH](C)CC=CC1(C)C;CC1CC=CC(C1CCC(C)CCCC(C)CC(=O)O)(C)C","InChI=1S/C20H36O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h7,13,15-18H,6,8-12,14H2,1-5H3,(H,21,22)/t15-,16-,17+,18+/m1/s1","9-cis-13,14-dihydroretinoic acid","2015-06-18","2020-06-17","(5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid","2016-03-30"],["EZI","4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile","C18 H15 N3 O2","CC(C)C1=Nc2cc(O)ccc2C(=O)N1c3ccc(cc3)C#N;CC(C)C1=Nc2cc(ccc2C(=O)N1c3ccc(cc3)C#N)O","InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3","Vanilloid receptor antagonist 1 ; Libvatrep","2023-06-20","2024-08-09","4-(7-oxidanyl-4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)benzenecarbonitrile","2024-08-14"],["4XX","4-hydroxy-5-methylfuran-3(2H)-one","C5 H6 O3","O=C1C(O)=C(OC1)C;CC1=C(O)C(=O)CO1;CC1=C(C(=O)CO1)O","InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3","","2012-12-20","2013-04-12","4-hydroxy-5-methylfuran-3(2H)-one","2013-04-17"],["EZJ","(2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol","C27 H27 Cl2 N3 O2","Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2[NH]c3ccccc3n2)C1c1ccccc1;OC[CH](O[CH]1CCCN(Cc2[nH]c3ccccc3n2)[CH]1c4ccccc4)c5cc(Cl)cc(Cl)c5;c1ccc(cc1)C2C(CCCN2Cc3[nH]c4ccccc4n3)OC(CO)c5cc(cc(c5)Cl)Cl","InChI=1S/C27H27Cl2N3O2/c28-20-13-19(14-21(29)15-20)25(17-33)34-24-11-6-12-32(27(24)18-7-2-1-3-8-18)16-26-30-22-9-4-5-10-23(22)31-26/h1-5,7-10,13-15,24-25,27,33H,6,11-12,16-17H2,(H,30,31)/t24-,25-,27-/m0/s1","","2021-12-14","2023-06-09","(2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol","2023-06-14"],["4XY","6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine","C11 H16 Cl N3","c2(NCCC)c(c(Cl)nc(C1CC1)n2)C;CCCNc1nc(nc(Cl)c1C)C2CC2;CCCNc1c(c(nc(n1)C2CC2)Cl)C","InChI=1S/C11H16ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h8H,3-6H2,1-2H3,(H,13,14,15)","","2015-06-18","2015-09-25","6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine","2015-09-30"],["EZK","[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium","C19 H22 Cl N7 O","Clc1cc(NC(=O)c2ccc(cc2)[NH+]=C3NCCN3)ccc1[NH+]=C4NCCN4;c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4","InChI=1S/C19H20ClN7O/c20-15-11-14(5-6-16(15)27-19-23-9-10-24-19)25-17(28)12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)/p+2","","2018-05-10","2018-08-03","[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium","2018-08-08"],["4Y0","3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide","C18 H17 N3 O3","O=C(Nc2nnc(c1ccccc1)c2)c3ccc(OC)c(OC)c3;COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3;COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3","InChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)","","2013-08-12","2015-08-28","3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide","2015-09-02"],["EZL","6-ethoxy-1,3-benzothiazole-2-sulfonamide","C9 H10 N2 O3 S2","O=S(=O)(c1nc2ccc(OCC)cc2s1)N;CCOc1ccc2nc(sc2c1)[S](N)(=O)=O;CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N","InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)","Ethoxzolamide","2008-02-21","2020-06-17","6-ethoxy-1,3-benzothiazole-2-sulfonamide",""],["4Y1","6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine","C18 H20 Cl N5 O S","c1(nc(nc(Cl)c1C)OCCc2ncccc2)NCc3c(nc(C)s3)C;Cc1sc(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)c(C)n1;Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C","InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24)","","2015-06-18","2015-11-27","6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine","2015-12-02"],["EZM","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-lysinamide","C15 H24 N4 O5","c1cc([N+]([O-])=O)ccc1C(O)C(NC(C(N)CCCCN)=O)CO;NCCCC[CH](N)C(=O)N[CH](CO)[CH](O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(C(CO)NC(=O)C(CCCCN)N)O)[N+](=O)[O-]","InChI=1S/C15H24N4O5/c16-8-2-1-3-12(17)15(22)18-13(9-20)14(21)10-4-6-11(7-5-10)19(23)24/h4-7,12-14,20-21H,1-3,8-9,16-17H2,(H,18,22)/t12-,13+,14+/m0/s1","","2018-02-16","2018-03-02","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-lysinamide","2018-03-07"],["4Y2","6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine","C14 H17 Cl N4 S","c2(NCc1c(nc(C)s1)C)c(C)c(Cl)nc(n2)C3CC3;Cc1sc(CNc2nc(nc(Cl)c2C)C3CC3)c(C)n1;Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C","InChI=1S/C14H17ClN4S/c1-7-12(15)18-14(10-4-5-10)19-13(7)16-6-11-8(2)17-9(3)20-11/h10H,4-6H2,1-3H3,(H,16,18,19)","","2015-06-18","2015-09-25","6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine","2015-09-30"],["EZN","[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine","C15 H13 Cl N2","NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23;c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN","InChI=1S/C15H13ClN2/c16-12-7-10(9-17)6-11(8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,18H,9,17H2","","2018-05-11","2018-05-18","[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine","2018-05-23"],["4Y3","[[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3$l^{4}-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C8 H15 F N3 O12 P3 S","NC1=NC(=O)N(C=C1F)[CH]2C[SH2][CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(OC([SH2]1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F","InChI=1S/C8H15FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3,28H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m1/s1","","2015-06-19","2024-02-24","[[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3$l^{4}-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2016-01-27"],["EZO","2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid","C18 H14 Cl N3 O2 S","CN(N=Cc1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl;CN(c1nc(cs1)c2ccccc2Cl)N=Cc3ccccc3C(=O)O","InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+","","2020-02-27","2021-02-26","2-[(~{E})-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid","2021-03-03"],["EZP","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-D-histidinamide","C15 H19 N5 O5","c1cc(N(=O)=O)ccc1C(O)C(NC(C(Cc2cncn2)N)=O)CO;N[CH](Cc1c[nH]cn1)C(=O)N[CH](CO)[CH](O)c2ccc(cc2)[N](=O)=O;c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)N(=O)=O","InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13-,14-/m1/s1","","2018-02-16","2018-03-02","N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-D-histidinamide","2018-03-07"],["4Y4","1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one","C21 H27 N O3","CCCNC[CH](O)COc1ccccc1C(=O)CCc2ccccc2;CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O","InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m1/s1","","2021-08-10","2021-09-17","1-[2-[(2~{R})-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one","2021-09-22"],["4Y5","4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid","C22 H10 Cl F5 N2 O3","c4cc1c(c(nn1C(c2c(cccc2Cl)C(F)(F)F)=O)c3c(F)cc(C(=O)O)cc3)c(F)c4;OC(=O)c1ccc(c(F)c1)c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c4cccc(F)c24;c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F","InChI=1S/C22H10ClF5N2O3/c23-13-4-1-3-12(22(26,27)28)17(13)20(31)30-16-6-2-5-14(24)18(16)19(29-30)11-8-7-10(21(32)33)9-15(11)25/h1-9H,(H,32,33)","","2015-06-19","2015-12-11","4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid","2015-12-16"],["EZQ","4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine","C22 H16 F N5","Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45;c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F","InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26)","","2022-01-17","2023-01-13","4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine","2023-01-18"],["4Y6","(1S)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid","C23 H17 Cl F4 N2 O3","Fc3c2c(C1=CCC(C)(C(=O)O)CC1)nn(c2ccc3)C(c4c(cccc4C(F)(F)F)Cl)=O;C[C]1(CCC(=CC1)c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c4cccc(F)c24)C(O)=O;CC1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O","InChI=1S/C23H17ClF4N2O3/c1-22(21(32)33)10-8-12(9-11-22)19-18-15(25)6-3-7-16(18)30(29-19)20(31)17-13(23(26,27)28)4-2-5-14(17)24/h2-8H,9-11H2,1H3,(H,32,33)/t22-/m1/s1","","2015-06-19","2015-12-11","(1S)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid","2015-12-16"],["EZR","3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline","C26 H27 N7 O","O(c1cc(N)ccc1c2cc3c(cc2)c(nn3)c6nc5c(N4CCN(C)CC4)cccc5n6)C;COc1cc(N)ccc1c2ccc3c([nH]nc3c4[nH]c5cccc(N6CCN(C)CC6)c5n4)c2;CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N","InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)","","2008-10-24","2011-06-04","3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline",""],["EZS","1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one","C13 H13 F N2 O","C(c1cn(c(n1)C)Cc2ccc(cc2)F)(C)=O;CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1;Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C","InChI=1S/C13H13FN2O/c1-9(17)13-8-16(10(2)15-13)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3","","2018-02-19","2018-04-06","1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one","2018-04-11"],["4Y7","4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid","C21 H10 Cl F4 N3 O4","c4cc(C(F)(F)F)c(C(n3nc(c1cc(c(C(=O)O)cc1F)O)c2ncccc23)=O)c(c4)Cl;OC(=O)c1cc(F)c(cc1O)c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c4cccnc24;c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F","InChI=1S/C21H10ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-5-2-6-27-18(14)17(28-29)9-8-15(30)10(20(32)33)7-13(9)23/h1-8,30H,(H,32,33)","","2015-06-19","2015-12-11","4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid","2015-12-16"],["EZT","(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL","C27 H29 F3 O2","FC(F)(F)c1ccccc1C=CC4(O)CCC5C3C(c2ccc(O)cc2CC3)CCC45C;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C=Cc5ccccc5C(F)(F)F;CC12CCC3c4ccc(cc4CCC3C1CCC2(C=Cc5ccccc5C(F)(F)F)O)O","InChI=1S/C27H29F3O2/c1-25-13-11-21-20-9-7-19(31)16-18(20)6-8-22(21)24(25)12-15-26(25,32)14-10-17-4-2-3-5-23(17)27(28,29)30/h2-5,7,9-10,14,16,21-22,24,31-32H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,24+,25+,26+/m1/s1","","2007-03-08","2011-06-04","(14beta,17alpha)-17-{(E)-2-[2-(trifluoromethyl)phenyl]ethenyl}estra-1(10),2,4-triene-3,17-diol",""],["4Y8","1-hydroxypropan-2-one","C3 H6 O2","O=C(C)CO;CC(=O)CO;CC(=O)CO","InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","","2015-03-05","2024-09-27","1-hydroxypropan-2-one","2015-07-01"],["EZU","1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one","C18 H24 N6 O3","C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(COC5)C4;CC(C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3","InChI=1S/C18H24N6O3/c1-11(16(26)23-7-18(8-23)9-27-10-18)20-17-21-14-13(15(25)22-17)6-19-24(14)12-4-2-3-5-12/h6,11-12H,2-5,7-10H2,1H3,(H2,20,21,22,25)/t11-/m1/s1","","2020-02-28","2021-02-19","1-cyclopentyl-6-[[(2~{R})-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one","2021-02-24"],["4YA","hexyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside","C18 H34 O10","C1(C(O)C(O)C(O)C(O1)C)OC2C(OCCCCCC)OC(CO)C(C2O)O;CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O;CCCCCCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)C)O)O)O","InChI=1S/C18H34O10/c1-3-4-5-6-7-25-18-16(14(23)12(21)10(8-19)27-18)28-17-15(24)13(22)11(20)9(2)26-17/h9-24H,3-8H2,1-2H3/t9-,10+,11+,12-,13+,14-,15-,16+,17-,18+/m0/s1","","2015-06-22","2015-09-18","hexyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside","2015-09-23"],["4YB","5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine","C21 H22 N6 O10 S","c12ncnc(c1ncn2C4OC(COS(NC(CCC(c3c(C(=O)O)cccc3)=O)=O)(=O)=O)C(O)C4O)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)CCC(=O)c4ccccc4C(O)=O)[CH](O)[CH]3O;c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)C(=O)O","InChI=1S/C21H22N6O10S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(31)16(30)13(37-20)7-36-38(34,35)26-14(29)6-5-12(28)10-3-1-2-4-11(10)21(32)33/h1-4,8-9,13,16-17,20,30-31H,5-7H2,(H,26,29)(H,32,33)(H2,22,23,24)/t13-,16-,17-,20-/m1/s1","","2015-06-22","2015-10-02","5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine","2015-10-07"],["EZV","4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline","C25 H25 N7","n3nc2cc(c1ccc(N)cc1)ccc2c3c6nc5c(c(N4CCN(C)CC4)ccc5)n6;CN1CCN(CC1)c2cccc3nc([nH]c23)c4n[nH]c5cc(ccc45)c6ccc(N)cc6;CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N","InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)","","2008-11-04","2011-06-04","4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline",""],["EZW","5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate","C27 H18 N2 O3","CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56;CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6","InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3","","2018-05-16","2018-11-30","","2018-12-05"],["4YC","(2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium","C17 H25 Cl N3 O","CC1[NH2+]CCN(C1)CC(=O)N2c3c(C(C2)(C)C)ccc(Cl)c3;C[CH]1CN(CC[NH2+]1)CC(=O)N2CC(C)(C)c3ccc(Cl)cc23;CC1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C","InChI=1S/C17H24ClN3O/c1-12-9-20(7-6-19-12)10-16(22)21-11-17(2,3)14-5-4-13(18)8-15(14)21/h4-5,8,12,19H,6-7,9-11H2,1-3H3/p+1/t12-/m1/s1","","2015-06-24","2015-08-07","(2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium","2015-08-12"],["EZX","1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one","C23 H24 F N3 O","Fc1ccc(cc1)C(=O)CCCN2CCN3[CH](C2)Cc4c[nH]c5cccc3c45;c1cc2c3c(c1)N4CCN(CC4Cc3c[nH]2)CCCC(=O)c5ccc(cc5)F","InChI=1S/C23H24FN3O/c24-18-8-6-16(7-9-18)22(28)5-2-10-26-11-12-27-19(15-26)13-17-14-25-20-3-1-4-21(27)23(17)20/h1,3-4,6-9,14,19,25H,2,5,10-13,15H2/t19-/m1/s1","","2023-06-27","2024-02-23","","2024-02-28"],["4YD","(2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium","C11 H22 N3 O","CC1[NH2+]CCN(C1)CC(=O)N2CCCC2;C[CH]1CN(CC[NH2+]1)CC(=O)N2CCCC2;CC1CN(CC[NH2+]1)CC(=O)N2CCCC2","InChI=1S/C11H21N3O/c1-10-8-13(7-4-12-10)9-11(15)14-5-2-3-6-14/h10,12H,2-9H2,1H3/p+1/t10-/m1/s1","","2015-06-24","2015-08-07","(2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium","2015-08-12"],["4YE","(2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium","C15 H22 N3 O","CC1[NH2+]CCN(C1)CC(=O)N2c3c(CC2)cccc3;C[CH]1CN(CC[NH2+]1)CC(=O)N2CCc3ccccc23;CC1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3","InChI=1S/C15H21N3O/c1-12-10-17(9-7-16-12)11-15(19)18-8-6-13-4-2-3-5-14(13)18/h2-5,12,16H,6-11H2,1H3/p+1/t12-/m1/s1","","2015-06-24","2015-08-07","(2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium","2015-08-12"],["EZY","N-[(2-nitrophenyl)methyl]glycine","C9 H10 N2 O4","N(CC(=O)O)Cc1c(N(=O)=O)cccc1;OC(=O)CNCc1ccccc1[N](=O)=O;c1ccc(c(c1)CNCC(=O)O)N(=O)=O","InChI=1S/C9H10N2O4/c12-9(13)6-10-5-7-3-1-2-4-8(7)11(14)15/h1-4,10H,5-6H2,(H,12,13)","2-nitrobenzylglycine","2018-02-20","2024-09-27","N-[(2-nitrophenyl)methyl]glycine","2018-05-16"],["EZZ","(3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one","C19 H19 N3 O2","CN(C)Cc1[nH]c2ccccc2c1[CH]3NC(=O)c4ccc(O)cc34;CN(C)Cc1c(c2ccccc2[nH]1)C3c4cc(ccc4C(=O)N3)O","InChI=1S/C19H19N3O2/c1-22(2)10-16-17(13-5-3-4-6-15(13)20-16)18-14-9-11(23)7-8-12(14)19(24)21-18/h3-9,18,20,23H,10H2,1-2H3,(H,21,24)/t18-/m0/s1","","2018-05-16","2019-07-26","(3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one","2019-07-31"],["4YF","(2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium","C14 H20 Cl N4 O","CC1[NH2+]CCN(C1)CC(=O)N3CCc2c3cc(Cl)nc2;C[CH]1CN(CC[NH2+]1)CC(=O)N2CCc3cnc(Cl)cc23;CC1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl","InChI=1S/C14H19ClN4O/c1-10-8-18(5-3-16-10)9-14(20)19-4-2-11-7-17-13(15)6-12(11)19/h6-7,10,16H,2-5,8-9H2,1H3/p+1/t10-/m1/s1","","2015-06-24","2015-08-07","(2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium","2015-08-12"],["4YG","(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C28 H39 N5 O6 S2","CC(C)C(NS(C)(=O)=O)C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3ccccc3s1)C2(C)C;CC(C)[CH](N[S](C)(=O)=O)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5ccccc5n4)C2(C)C;CC(C)C(C(=O)N1CC2C(C1C(=O)NC(CC3CCNC3=O)C(c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C","InChI=1S/C28H39N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-23,32,34H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21-,22-,23-/m0/s1","","2021-07-15","2024-09-27","(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2021-11-10"],["F00","(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol","C17 H32 O6","OC[CH]1O[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)[CH]1O;C=CCCCCCCCCCOC1C(C(OC(C1O)O)CO)O","InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1","","2020-02-28","2020-09-04","(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol","2020-09-09"],["F01","4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one","C9 H12 F N3 O5","FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N;NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F","InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1","4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one","2008-09-29","2020-06-17","5-fluorocytidine",""],["4YH","(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile","C27 H38 N2 O4","COc1c(OC)ccc(c1)C(C(C)C)(C#N)CCCN(C)CCc2ccc(OC)c(c2)OC;COc1ccc(CCN(C)CCC[C](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC;CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC","InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1","","2015-06-24","2015-09-18","(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile","2015-09-23"],["4YI","2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide","C19 H15 Cl N4 O2","COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3;COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3","InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+","","2021-07-07","2021-09-03","2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide","2021-09-08"],["F02","4-(diethylamino)benzohydrazide","C11 H17 N3 O","O=C(c1ccc(N(CC)CC)cc1)NN;CCN(CC)c1ccc(cc1)C(=O)NN;CCN(CC)c1ccc(cc1)C(=O)NN","InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)","","2010-10-26","2011-10-14","4-(diethylamino)benzohydrazide",""],["F03","N-(4-OXO-3H-QUINAZOLIN-2-YL)ACETAMIDE","C10 H9 N3 O2","CC(=O)NC1=Nc2ccccc2C(=O)N1;CC(=O)NC1=Nc2ccccc2C(=O)N1","InChI=1S/C10H9N3O2/c1-6(14)11-10-12-8-5-3-2-4-7(8)9(15)13-10/h2-5H,1H3,(H2,11,12,13,14,15)","","2011-01-18","2013-03-01","N-(4-oxo-3H-quinazolin-2-yl)ethanamide","2013-03-06"],["4YJ","2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid","C12 H12 N2 O3 S","COc1ccc(Cc2sc(N)nc2C(O)=O)cc1;COc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O","InChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)","","2023-01-09","2023-10-27","2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid","2023-11-01"],["4YK","3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one","C16 H11 N O2 S","COc4cc3NC(=O)c2sc1ccccc1c2c3cc4;COc1ccc2c(NC(=O)c3sc4ccccc4c23)c1;COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3","InChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18)","","2015-06-25","2015-12-11","3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one","2015-12-16"],["F04","2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE","C11 H12 N2 O","CCN1N=C(C)c2ccccc2C1=O;CCN1C(=O)c2ccccc2C(=N1)C","InChI=1S/C11H12N2O/c1-3-13-11(14)10-7-5-4-6-9(10)8(2)12-13/h4-7H,3H2,1-2H3","","2011-01-18","2013-03-01","2-ethyl-4-methyl-phthalazin-1-one","2013-03-06"],["F05","1H-isoindol-3-amine","C8 H8 N2","c1cccc2c1cnc2N;NC1=NCc2ccccc12;c1ccc2c(c1)CN=C2N","InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)","","2010-11-15","2021-02-16","2H-isoindol-1-amine",""],["4YL","(2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium","C18 H28 Cl N4 O2","COCC3C[NH2+]C(C)CN3CC(=O)N2CC(c1c2cc(Cl)nc1)(C)C;COC[CH]1C[NH2+][CH](C)CN1CC(=O)N2CC(C)(C)c3cnc(Cl)cc23;CC1CN(C(C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C","InChI=1S/C18H27ClN4O2/c1-12-8-22(13(6-20-12)10-25-4)9-17(24)23-11-18(2,3)14-7-21-16(19)5-15(14)23/h5,7,12-13,20H,6,8-11H2,1-4H3/p+1/t12-,13-/m1/s1","","2015-06-25","2015-08-07","(2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium","2015-08-12"],["4YM","ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate","C21 H22 N6 O3","CCOC(=O)c1cnc2[nH]nc(c3cccc(c3)C#N)c2c1N4CCO[CH](CN)C4;CCOC(=O)c1cnc2c(c1N3CCOC(C3)CN)c(n[nH]2)c4cccc(c4)C#N","InChI=1S/C21H22N6O3/c1-2-29-21(28)16-11-24-20-17(19(16)27-6-7-30-15(10-23)12-27)18(25-26-20)14-5-3-4-13(8-14)9-22/h3-5,8,11,15H,2,6-7,10,12,23H2,1H3,(H,24,25,26)/t15-/m1/s1","","2011-06-06","2023-09-23","ethyl 4-[(2~{R})-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1~{H}-pyrazolo[3,4-b]pyridine-5-carboxylate",""],["F06","2-chlorobenzyl carbamimidothioate","C8 H9 Cl N2 S","Clc1ccccc1CSC(=[N@H])N;NC(=N)SCc1ccccc1Cl;c1ccc(c(c1)CSC(=N)N)Cl","InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)","","2010-11-16","2011-10-28","2-chlorobenzyl carbamimidothioate",""],["F07","THIENO[3,2-C][1,6]NAPHTHYRIDINE","C10 H6 N2 S","s1ccc2cnc3ccncc3c12;c1cncc2c1ncc3c2scc3","InChI=1S/C10H6N2S/c1-3-11-6-8-9(1)12-5-7-2-4-13-10(7)8/h1-6H","","2011-01-18","2013-03-01","","2013-03-06"],["4YN","(2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium","C25 H35 N4 O2","COCC4C[NH2+]C(C)CN4CC(=O)N3CC(c2c3cc(Cc1ccccc1)nc2)(C)C;COC[CH]1C[NH2+][CH](C)CN1CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23;CC1CN(C(C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C","InChI=1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/p+1/t18-,21-/m1/s1","","2015-06-25","2015-08-07","(2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium","2015-08-12"],["F08","methyl 4-(4-oxo-4H-chromen-2-yl)benzoate","C17 H12 O4","O=C(OC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C17H12O4/c1-20-17(19)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)21-16/h2-10H,1H3","","2013-06-17","2013-10-25","methyl 4-(4-oxo-4H-chromen-2-yl)benzoate","2013-10-30"],["4YO","6-bromo-3,4-dihydroquinoxalin-2(1H)-one","C8 H7 Br N2 O","O=C2CNc1cc(Br)ccc1N2;Brc1ccc2NC(=O)CNc2c1;c1cc2c(cc1Br)NCC(=O)N2","InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)","","2015-06-25","2016-05-20","6-bromo-3,4-dihydroquinoxalin-2(1H)-one","2016-05-25"],["F09","NONAN-1-OL","C9 H20 O","OCCCCCCCCC;CCCCCCCCCO;CCCCCCCCCO","InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3","","2001-10-31","2011-06-04","nonan-1-ol",""],["4YP","2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione","C18 H25 N O3","CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C;COC1=C(N)C(=O)C(=C(CC=C(C)CCC=C(C)C)C1=O)C;CC1=C(C(=O)C(=C(C1=O)N)OC)CC=C(C)CCC=C(C)C","InChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+","rhodoquinone-2","2015-06-26","2020-06-17","2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione","2015-08-05"],["4YQ","4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide","C19 H26 N2 O4 S","O=C(c1sc(OCCO)nc1C2CC2)NC5C4CC3CC5CC(O)(C3)C4;OCCOc1sc(C(=O)NC2[CH]3CC4C[CH]2CC(O)(C4)C3)c(n1)C5CC5;C1CC1c2c(sc(n2)OCCO)C(=O)NC3C4CC5CC3CC(C5)(C4)O","InChI=1S/C19H26N2O4S/c22-3-4-25-18-21-15(11-1-2-11)16(26-18)17(23)20-14-12-5-10-6-13(14)9-19(24,7-10)8-12/h10-14,22,24H,1-9H2,(H,20,23)/t10-,12-,13+,14-,19-","","2013-09-23","2014-09-05","4-cyclopropyl-2-(2-hydroxyethoxy)-N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-1,3-thiazole-5-carboxamide","2014-09-03"],["F0A","3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide","C27 H33 N O4","O=C(N)c1cc(ccc1)CC4C(O)C3(CCC5c2cc(c(cc2CCC5C3C4)O)OC)C;COc1cc2[CH]3CC[C]4(C)[CH](O)[CH](C[CH]4[CH]3CCc2cc1O)Cc5cccc(c5)C(N)=O;CC12CCC3c4cc(c(cc4CCC3C1CC(C2O)Cc5cccc(c5)C(=O)N)O)OC","InChI=1S/C27H33NO4/c1-27-9-8-19-20(7-6-16-13-23(29)24(32-2)14-21(16)19)22(27)12-18(25(27)30)11-15-4-3-5-17(10-15)26(28)31/h3-5,10,13-14,18-20,22,25,29-30H,6-9,11-12H2,1-2H3,(H2,28,31)/t18-,19-,20+,22-,25-,27-/m0/s1","","2018-02-22","2019-01-11","3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide","2019-01-16"],["4YR","N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide","C24 H25 F N4 O3","Fc1ccc(CN2C(=O)NC(=O)c3ccccc23)cc1C(=O)N[CH]4CCN(CC5CC5)C4;c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)NC4CCN(C4)CC5CC5)F","InChI=1S/C24H25FN4O3/c25-20-8-7-16(13-29-21-4-2-1-3-18(21)22(30)27-24(29)32)11-19(20)23(31)26-17-9-10-28(14-17)12-15-5-6-15/h1-4,7-8,11,15,17H,5-6,9-10,12-14H2,(H,26,31)(H,27,30,32)/t17-/m1/s1","","2015-06-26","2017-01-20","5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-~{N}-[(3~{R})-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-fluoranyl-benzamide","2017-01-25"],["F0B","(3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one","C33 H28 N4 O2","Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCc4ccc5ccn(Cc6ccccc6)c5c4)[nH]c7ccccc37;c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)C6c7cc(ccc7C(=O)N6)O","InChI=1S/C33H28N4O2/c38-24-12-13-25-27(17-24)32(36-33(25)39)31-26-8-4-5-9-28(26)35-29(31)19-34-18-22-10-11-23-14-15-37(30(23)16-22)20-21-6-2-1-3-7-21/h1-17,32,34-35,38H,18-20H2,(H,36,39)/t32-/m0/s1","","2018-05-16","2019-07-26","(3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one","2019-07-31"],["F0C","1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline","C17 H21 N O","COc1ccc(CC2=NCCC3=C2CCCC3)cc1;COc1ccc(cc1)CC2=NCCC3=C2CCCC3","InChI=1S/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3","","2020-03-02","2020-05-29","1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline","2020-06-03"],["4YS","isoquinolin-1(2H)-one","C9 H7 N O","c1cccc2c1C=CNC2=O;O=C1NC=Cc2ccccc12;c1ccc2c(c1)C=CNC2=O","InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)","","2015-06-26","2016-05-20","isoquinolin-1(2H)-one","2016-05-25"],["F0D","3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide","C28 H34 Br N O2","c1cc(CCBr)cc2c1C3C(CC2)C4C(CC3)(C(O)C(C4)Cc5cc(ccc5)C(N)=O)C;C[C]12CC[CH]3[CH](CCc4cc(CCBr)ccc34)[CH]1C[CH](Cc5cccc(c5)C(N)=O)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Cc5cccc(c5)C(=O)N)CCBr","InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1","","2018-02-22","2024-09-27","3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide","2019-01-16"],["4YT","1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline","C14 H15 N3 O","CCc1n2c(nn1)cc(c3c2cc(cc3)OC)C;CCc1nnc2cc(C)c3ccc(OC)cc3n12;CCc1nnc2n1c3cc(ccc3c(c2)C)OC","InChI=1S/C14H15N3O/c1-4-13-15-16-14-7-9(2)11-6-5-10(18-3)8-12(11)17(13)14/h5-8H,4H2,1-3H3","","2015-06-26","2016-07-08","1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline","2016-07-13"],["4YU","methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate","C17 H20 N2 O4","O(C)c2ccc1n(c(c(C(NCC=[C@H]C(=O)OC)=O)c1c2)C)C;COC(=O)C=CCNC(=O)c1c(C)n(C)c2ccc(OC)cc12;Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC","InChI=1S/C17H20N2O4/c1-11-16(17(21)18-9-5-6-15(20)23-4)13-10-12(22-3)7-8-14(13)19(11)2/h5-8,10H,9H2,1-4H3,(H,18,21)","","2015-06-26","2024-09-27","methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate","2015-09-30"],["F0E","cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate","C46 H55 N11 O5","O=C(NCCCNC(=O)c1cc(ccn1)c2n[nH]c3ccc(NC(=O)[CH]4CCN(C4)CC(=O)N5CCN(CC5)c6ccc(cc6)c7ncccn7)cc23)OC8CCCCCCC8;c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CCC(C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8","InChI=1S/C46H55N11O5/c58-41(57-26-24-56(25-27-57)36-13-10-32(11-14-36)43-48-18-6-19-49-43)31-55-23-17-34(30-55)44(59)52-35-12-15-39-38(29-35)42(54-53-39)33-16-22-47-40(28-33)45(60)50-20-7-21-51-46(61)62-37-8-4-2-1-3-5-9-37/h6,10-16,18-19,22,28-29,34,37H,1-5,7-9,17,20-21,23-27,30-31H2,(H,50,60)(H,51,61)(H,52,59)(H,53,54)/t34-/m1/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2018-05-16","2021-03-01","cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate","2019-01-02"],["F0F","(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide","C15 H22 N2 O","CCN(CC)C(=O)[C]1(C[CH]1CN)c2ccccc2;CCN(CC)C(=O)C1(CC1CN)c2ccccc2","InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1","","2020-03-05","2021-02-12","(1~{R},2~{S})-2-(aminomethyl)-~{N},~{N}-diethyl-1-phenyl-cyclopropane-1-carboxamide","2021-02-17"],["4YV","1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine","C21 H27 N7 O","C1CN(CCC1OC)c2nc(ccn2)Nc4cc3n(cnc3cn4)C5CCCC5;COC1CCN(CC1)c2nccc(Nc3cc4n(cnc4cn3)C5CCCC5)n2;COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5","InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)","","2015-06-26","2015-10-23","1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine","2015-10-28"],["F0G","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine","C11 H15 N2 O7 P","n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C;C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)C(=O)O)O","InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1","PLP-Ala","2018-02-22","2020-06-17","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine","2018-03-21"],["4YW","2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine","C20 H27 N7 O2 S","c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)S(C)(=O)=O;CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N4CCC(CC4)[S](C)(=O)=O)cc12;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C","InChI=1S/C20H27N7O2S/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(7-10-26)30(4,28)29/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)","","2015-06-26","2015-10-23","2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine","2015-10-28"],["4YX","N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine","C22 H32 N8 O","c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC;COC1(CCN)CCN(CC1)c2nccc(Nc3cc4n(C(C)C)c(C)nc4cn3)n2;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC","InChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28)","","2015-06-26","2015-10-23","N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine","2015-10-28"],["F0H","[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate","C35 H34 Cl F N6 O4","OC[CH](N1C=CC(=CC1=O)c2ccnc(Nc3ccnc(c3)C#CCCNC(=O)O[CH]4CCCC=CCC4)n2)c5ccc(Cl)c(F)c5;c1cc(c(cc1C(CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)OC5CCCC=CCC5)F)Cl","InChI=1S/C35H34ClFN6O4/c36-29-12-11-25(20-30(29)37)32(23-44)43-19-15-24(21-33(43)45)31-14-18-39-34(42-31)41-27-13-17-38-26(22-27)8-6-7-16-40-35(46)47-28-9-4-2-1-3-5-10-28/h1-2,11-15,17-22,28,32,44H,3-5,7,9-10,16,23H2,(H,40,46)(H,38,39,41,42)/b2-1-/t28-,32+/m0/s1","","2018-05-16","2018-12-28","[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate","2019-01-02"],["F0J","2,4-dimethoxyphenol","C8 H10 O3","COc1ccc(c(OC)c1)O;COc1ccc(O)c(OC)c1;COc1ccc(c(c1)OC)O","InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3","","2018-02-22","2019-01-11","2,4-dimethoxyphenol","2019-01-16"],["4YY","N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C26 H33 F N4 O4 S","C1CC1(F)C(=O)NC(C(C)(C)C)C(=O)N2CC(O)CC2C(=O)NCc3ccc(cc3)c4scnc4C;Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O","InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1","","2015-06-29","2017-09-15","N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2017-09-20"],["F0K","(3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one","C31 H28 N6 O2","Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4[CH]6NC(=O)c7ccc(O)cc67)cc23)c1;Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)C6c7cc(ccc7C(=O)N6)O","InChI=1S/C31H28N6O2/c1-36-16-21(33-18-36)17-37-11-10-20-7-6-19(12-28(20)37)14-32-15-27-29(24-4-2-3-5-26(24)34-27)30-25-13-22(38)8-9-23(25)31(39)35-30/h2-13,16,18,30,32,34,38H,14-15,17H2,1H3,(H,35,39)/t30-/m0/s1","","2018-05-16","2019-07-26","(3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one","2019-07-31"],["4YZ","3-[(4-chlorophenyl)sulfanyl]propanoic acid","C9 H9 Cl O2 S","c1(ccc(SCCC(=O)O)cc1)Cl;OC(=O)CCSc1ccc(Cl)cc1;c1cc(ccc1SCCC(=O)O)Cl","InChI=1S/C9H9ClO2S/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)","","2015-06-29","2016-07-22","3-[(4-chlorophenyl)sulfanyl]propanoic acid","2016-07-27"],["F0L","nickel-sirohydrochlorin","C42 H44 N4 Ni O16","C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=NC1=Cc3n4[Ni++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C6CC(O)=O)CCC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O)=O)C5=C2;CC1(C(C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)C(C8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C42H46N4O16.Ni/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+4/p-2/t23-,24-,41+,42+;/m1./s1","","2020-03-05","2021-01-08","","2021-01-13"],["4Z0","(3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid","C9 H6 O5 S","c1cc(C(=O)O[C@H]=[C@H]C(C(O)=O)=O)sc1;OC(=O)C(=O)C=COC(=O)c1sccc1;c1cc(sc1)C(=O)OC=CC(=O)C(=O)O","InChI=1S/C9H6O5S/c10-6(8(11)12)3-4-14-9(13)7-2-1-5-15-7/h1-5H,(H,11,12)/b4-3+","","2015-06-29","2016-09-02","(3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid","2016-09-07"],["F0M","2-methoxy-4-nitrophenol","C7 H7 N O4","Oc1ccc(cc1OC)[N+]([O-])=O;COc1cc(ccc1O)[N+]([O-])=O;COc1cc(ccc1O)[N+](=O)[O-]","InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3","4-Nitroguaiacol","2018-02-22","2026-04-05","2-methoxy-4-nitrophenol","2019-01-16"],["4Z1","[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid","C8 H6 Cl2 N2 O3","c1c(cc(c(NNC(C(=O)O)=O)c1)Cl)Cl;OC(=O)C(=O)NNc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O","InChI=1S/C8H6Cl2N2O3/c9-4-1-2-6(5(10)3-4)11-12-7(13)8(14)15/h1-3,11H,(H,12,13)(H,14,15)","","2015-06-29","2016-08-05","[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid","2016-08-10"],["F0N","(3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one","C20 H19 N3 O","O=C1N[CH](c2ccccc12)c3c([nH]c4ccccc34)[CH]5CCCN5;c1ccc2c(c1)c(c([nH]2)C3CCCN3)C4c5ccccc5C(=O)N4","InChI=1S/C20H19N3O/c24-20-13-7-2-1-6-12(13)18(23-20)17-14-8-3-4-9-15(14)22-19(17)16-10-5-11-21-16/h1-4,6-9,16,18,21-22H,5,10-11H2,(H,23,24)/t16-,18+/m1/s1","","2018-05-16","2019-07-26","(3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one","2019-07-31"],["4Z2","2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide","C22 H28 N4 O2","C1CCC1Nc2nccc(c2)C(NCC(O)CN3Cc4c(CC3)cccc4)=O;O[CH](CNC(=O)c1ccnc(NC2CCC2)c1)CN3CCc4ccccc4C3;c1ccc2c(c1)CCN(C2)CC(CNC(=O)c3ccnc(c3)NC4CCC4)O","InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1","","2015-06-29","2016-06-24","2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide","2016-06-29"],["F0O","2-chloranyl-1,3-thiazole-5-carboxylic acid","C4 H2 Cl N O2 S","OC(=O)c1sc(Cl)nc1;c1c(sc(n1)Cl)C(=O)O","InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)","","2020-03-05","2021-01-08","2-chloranyl-1,3-thiazole-5-carboxylic acid","2021-01-13"],["4Z3","(2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide","C8 H7 Br N2 O2","c1cc(c(NC([C@H]=NO)=O)cc1)Br;ON=CC(=O)Nc1ccccc1Br;c1ccc(c(c1)NC(=O)C=NO)Br","InChI=1S/C8H7BrN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+","","2015-06-29","2016-08-05","(2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide","2016-08-10"],["F0P","(2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid","C24 H32 N8 O6","c12ncnc(c1ncn2C3OC(C(C3O)O)CN(CCCC(N)C(O)=O)CCc4cccc(C(N)=O)c4)N;N[CH](CCCN(CCc1cccc(c1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1cc(cc(c1)C(=O)N)CCN(CCCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23+/m0/s1","","2018-02-23","2018-06-08","(2S)-2-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}[2-(3-carbamoylphenyl)ethyl]amino)pentanoic acid (non-preferred name)","2018-06-13"],["4Z4","2,4-dichloro-5-fluorobenzoic acid","C7 H3 Cl2 F O2","c1c(c(C(=O)O)cc(c1Cl)F)Cl;OC(=O)c1cc(F)c(Cl)cc1Cl;c1c(c(cc(c1F)Cl)Cl)C(=O)O","InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)","","2015-06-29","2016-08-05","2,4-dichloro-5-fluorobenzoic acid","2016-08-10"],["F0Q","1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea","C23 H27 Br N8 O2","Cn1nnc(CN(Cc2ccc(N)cc2)C(=O)NCC(=O)N3CCC[CH]3c4ccccc4Br)n1;Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCCC3c4ccccc4Br","InChI=1S/C23H27BrN8O2/c1-30-28-21(27-29-30)15-31(14-16-8-10-17(25)11-9-16)23(34)26-13-22(33)32-12-4-7-20(32)18-5-2-3-6-19(18)24/h2-3,5-6,8-11,20H,4,7,12-15,25H2,1H3,(H,26,34)/t20-/m1/s1","","2018-05-16","2018-11-02","1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea","2018-11-07"],["4Z5","1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea","C23 H29 F N6 O","O=C(Nc1cc(c(cc1F)C)c2c(nc3c(c2)cnc(n3)NC)C)NCCC(C)(C)C;CNc1ncc2cc(c(C)nc2n1)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C;Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F","InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)","LY3009120","2015-06-29","2020-06-17","1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea","2015-07-15"],["F0R","1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea","C13 H14 N2 O S","Cc1ccccc1NC(=S)NCc2occc2;Cc1ccccc1NC(=S)NCc2ccco2","InChI=1S/C13H14N2OS/c1-10-5-2-3-7-12(10)15-13(17)14-9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H2,14,15,17)","","2022-01-18","2022-08-22","1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea","2022-02-09"],["4Z8","2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide","C19 H26 N8 O","c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)NCC(C(=O)N)(C)C;CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)C(N)=O)n3)cc12;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N","InChI=1S/C19H26N8O/c1-11(2)27-12(3)24-13-9-22-16(8-14(13)27)25-15-6-7-21-18(26-15)23-10-19(4,5)17(20)28/h6-9,11H,10H2,1-5H3,(H2,20,28)(H2,21,22,23,25,26)","","2015-06-30","2015-10-23","2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide","2015-10-28"],["F0S","(4~{S})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","C29 H27 F N6 O5","COc1cccc(OC)c1CNC(=O)c2cc(ccc2F)[CH]3NC(=O)NC(=C3C(=O)Nc4ccc5[nH]ncc5c4)C;CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5","InChI=1S/C29H27FN6O5/c1-15-25(28(38)34-18-8-10-22-17(11-18)13-32-36-22)26(35-29(39)33-15)16-7-9-21(30)19(12-16)27(37)31-14-20-23(40-2)5-4-6-24(20)41-3/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)/t26-/m0/s1","","2016-01-11","2016-05-06","(4~{S})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","2016-05-11"],["4Z9","(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid","C11 H11 N O3","c12c(c(CC(C(=O)O)O)cn1)cccc2;O[CH](Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O","InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m1/s1","","2015-06-30","2016-08-05","(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid","2016-08-10"],["F0T","ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate","C16 H23 N3 O3","CCOC(=O)CNC(=O)N(CC1CC1)Cc2ccc(N)cc2;CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2","InChI=1S/C16H23N3O3/c1-2-22-15(20)9-18-16(21)19(10-12-3-4-12)11-13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11,17H2,1H3,(H,18,21)","","2018-05-16","2018-11-02","ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate","2018-11-07"],["4ZA","6H-thieno[2,3-b]pyrrole-5-carboxylic acid","C7 H5 N O2 S","c12nc(C(O)=O)cc1ccs2;OC(=O)c1[nH]c2sccc2c1;c1csc2c1cc([nH]2)C(=O)O","InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10)","","2015-06-30","2016-08-05","6H-thieno[2,3-b]pyrrole-5-carboxylic acid","2016-08-10"],["F0U","5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide","C18 H14 Br Cl2 N5 O2","CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c2cc(Br)nn2c3ncccc3Cl;Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl","InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)","","2020-03-10","2020-08-28","5-bromanyl-~{N}-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide","2020-09-02"],["4ZB","(3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide","C20 H26 N8 O","c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)N4CCC(C(=O)N)(C4)C;CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N4CC[C](C)(C4)C(N)=O)cc12;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(C4)(C)C(=O)N","InChI=1S/C20H26N8O/c1-12(2)28-13(3)24-14-10-23-17(9-15(14)28)25-16-5-7-22-19(26-16)27-8-6-20(4,11-27)18(21)29/h5,7,9-10,12H,6,8,11H2,1-4H3,(H2,21,29)(H,22,23,25,26)/t20-/m1/s1","","2015-07-01","2015-10-30","(3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide","2015-10-28"],["F0V","2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium","C20 H19 Cl N5","c1(c(Cl)cc(cc1)Nc4[n+]3c(nc(Cc2ccccc2)n3)nc(C)c4)C;Cc1cc(Nc2ccc(C)c(Cl)c2)[n+]3nc(Cc4ccccc4)[nH]c3n1;Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C","InChI=1S/C20H18ClN5/c1-13-8-9-16(12-17(13)21)23-19-10-14(2)22-20-24-18(25-26(19)20)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23,24,25)/p+1","","2018-02-23","2018-03-29","2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium","2018-04-04"],["4ZC","5-chloro-2-hydroxybenzonitrile","C7 H4 Cl N O","Oc1c(cc(cc1)Cl)C#N;Oc1ccc(Cl)cc1C#N;c1cc(c(cc1Cl)C#N)O","InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H","","2015-07-01","2016-08-05","5-chloro-2-hydroxybenzonitrile","2016-08-10"],["F0W","ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate","C15 H21 N7 O3","CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2nnn(C)n2;CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C","InChI=1S/C15H21N7O3/c1-3-25-14(23)8-17-15(24)22(10-13-18-20-21(2)19-13)9-11-4-6-12(16)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,24)","","2018-05-16","2018-11-02","ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate","2018-11-07"],["4ZD","(2E)-3-(phenylsulfanyl)prop-2-enoic acid","C9 H8 O2 S","c1ccc(S[C@H]=CC(=O)O)cc1;OC(=O)C=CSc1ccccc1;c1ccc(cc1)SC=CC(=O)O","InChI=1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)","","2015-07-01","2016-08-05","(2E)-3-(phenylsulfanyl)prop-2-enoic acid","2016-08-10"],["F0X","cobalt-sirohydrochlorin","C42 H44 Co N4 O16","C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=NC1=Cc3n4[Co++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C6CC(O)=O)CCC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O)=O)C5=C2;CC1(C(C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)C(C8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+4/p-2/t23-,24-,41+,42+;/m1./s1","","2020-03-11","2021-01-08","","2021-01-13"],["4ZE","4-amino-2-methylphenol","C7 H9 N O","Oc1ccc(N)cc1C;Cc1cc(N)ccc1O;Cc1cc(ccc1O)N","InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3","","2013-07-30","2014-02-21","4-amino-2-methylphenol","2014-02-26"],["F0Y","methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate","C24 H28 N6 O2","C(=O)(N1CCC(CC1)Cc4cc(C(Nc2nc3c(n2)ccc(n3)C)CC#N)ccc4)OC;COC(=O)N1CCC(CC1)Cc2cccc(c2)[CH](CC#N)Nc3[nH]c4nc(C)ccc4n3;Cc1ccc2c(n1)[nH]c(n2)NC(CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC","InChI=1S/C24H28N6O2/c1-16-6-7-21-22(26-16)29-23(28-21)27-20(8-11-25)19-5-3-4-18(15-19)14-17-9-12-30(13-10-17)24(31)32-2/h3-7,15,17,20H,8-10,12-14H2,1-2H3,(H2,26,27,28,29)/t20-/m1/s1","","2018-02-23","2018-03-29","methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate","2018-04-04"],["4ZF","(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid","C12 H9 N3 O2","C=2C(c1c(cccc1)N=2)=C3/C=C(C(=O)O)NN3;OC(=O)C1=CC(NN1)=C2C=Nc3ccccc23;c1ccc2c(c1)C(=C3C=C(NN3)C(=O)O)C=N2","InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,14-15H,(H,16,17)/b10-8-","","2015-07-01","2016-08-05","(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid","2016-08-10"],["F0Z","2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol","C10 H12 N2 S","Sc1ccccc1C2=NCCCN2;c1ccc(c(c1)C2=NCCCN2)S","InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)","","2018-05-16","2019-01-11","2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol","2019-01-16"],["4ZG","N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine","C19 H27 N7 O2 S","c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C;CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)[S](C)(=O)=O)n3)cc12;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C","InChI=1S/C19H27N7O2S/c1-12(2)26-13(3)23-14-10-21-17(9-15(14)26)24-16-7-8-20-18(25-16)22-11-19(4,5)29(6,27)28/h7-10,12H,11H2,1-6H3,(H2,20,21,22,24,25)","","2015-07-01","2015-10-23","N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine","2015-10-28"],["F10","2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE","C18 H14 F N3 O","Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4;Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3;c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F","InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)","","2007-04-18","2011-06-04","2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",""],["4ZH","2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine","C19 H26 N6 O3 S","CC(C)n1c(C)nc2cnc(Nc3ccnc(OCC(C)(C)[S](C)(=O)=O)n3)cc12;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C","InChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24)","","2015-07-01","2015-10-23","2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine","2015-10-28"],["F11","N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE","C31 H36 N4","n2c1c(cccc1)c(c3c2CCCC3)NCCCCCNc4c6c(nc5c4CCCC5)cccc6;C(CCNc1c2CCCCc2nc3ccccc13)CCNc4c5CCCCc5nc6ccccc46;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6","InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)","","2006-05-08","2011-06-04","N,N'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine",""],["4ZI","2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide","C20 H20 N2 O4","COc1cccc(NC(=O)c2ccccc2OCc3c(C)onc3C)c1;Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)OC","InChI=1S/C20H20N2O4/c1-13-18(14(2)26-22-13)12-25-19-10-5-4-9-17(19)20(23)21-15-7-6-8-16(11-15)24-3/h4-11H,12H2,1-3H3,(H,21,23)","","2022-02-02","2022-12-30","2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide","2023-01-04"],["F12","2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID","C7 H7 N O3 S","O=C(O)c1c(scc1)NC(=O)C;CC(=O)Nc1sccc1C(O)=O;CC(=O)Nc1c(ccs1)C(=O)O","InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11)","","2006-06-21","2011-06-04","2-(acetylamino)thiophene-3-carboxylic acid",""],["4ZJ","N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine","C20 H26 F N7 O","CO[CH]1CCN(C[CH]1F)c2nccc(Nc3cc4n(C(C)C)c(C)nc4cn3)n2;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(C(C4)F)OC","InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1","","2015-07-01","2015-10-23","N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine","2015-10-28"],["F13","3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide","C14 H10 F N5 O","Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3;Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3;c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3","InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)","","2009-02-03","2011-06-04","3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide",""],["4ZK","3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine","C14 H12 Cl2 N2 O3","NC(C(O)=O)Cc1cc(Cl)c(Cl)c(c1)c2cncc(c2)O;N[CH](Cc1cc(Cl)c(Cl)c(c1)c2cncc(O)c2)C(O)=O;c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)CC(C(=O)O)N","InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1","","2015-07-02","2015-12-24","3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine","2015-12-29"],["F14","2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one","C21 H21 N5 O3","c1(ccc(cc1)Oc4cc(C(Nc3nc2N=C(CC(=O)n2n3)C)C)ccc4)OC;COc1ccc(Oc2cccc(c2)[CH](C)Nc3nn4C(=O)CC(=Nc4n3)C)cc1;CC1=Nc2nc(nn2C(=O)C1)NC(C)c3cccc(c3)Oc4ccc(cc4)OC","InChI=1S/C21H21N5O3/c1-13-11-19(27)26-21(22-13)24-20(25-26)23-14(2)15-5-4-6-18(12-15)29-17-9-7-16(28-3)8-10-17/h4-10,12,14H,11H2,1-3H3,(H,23,25)/t14-/m1/s1","","2018-02-23","2018-03-29","2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one","2018-04-04"],["4ZL","ethyl N-(benzylcarbamoyl)glycinate","C12 H16 N2 O3","c1ccccc1CNC(NCC(=O)OCC)=O;CCOC(=O)CNC(=O)NCc1ccccc1;CCOC(=O)CNC(=O)NCc1ccccc1","InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)","","2015-07-02","2016-07-15","ethyl N-(benzylcarbamoyl)glycinate","2016-07-20"],["F15","PENTADECANOIC ACID","C15 H30 O2","O=C(O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCC(=O)O","InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)","","2004-11-16","2024-09-27","pentadecanoic acid",""],["4ZM","ethyl N-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate","C17 H19 N3 O3","N(CC(OCC)=O)C(NCc1cc(ccc1)c2ccncc2)=O;CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2;CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2","InChI=1S/C17H19N3O3/c1-2-23-16(21)12-20-17(22)19-11-13-4-3-5-15(10-13)14-6-8-18-9-7-14/h3-10H,2,11-12H2,1H3,(H2,19,20,22)","","2015-07-02","2016-07-15","ethyl N-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate","2016-07-20"],["F16","5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE","C9 H7 N O4 S","O=C2C=C(c1cccc(O)c1)S(=O)(=O)N2;Oc1cccc(c1)C2=CC(=O)N[S]2(=O)=O;c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O","InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)","","2006-05-04","2011-06-04","5-(3-hydroxyphenyl)isothiazol-3(2H)-one 1,1-dioxide",""],["4ZN","(2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid","C14 H22 N O4 P","NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O;CC(C)C[CH](C[P](O)(=O)[CH](N)c1ccccc1)C(O)=O;CC(C)CC(CP(=O)(C(c1ccccc1)N)O)C(=O)O","InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1","","2015-07-02","2020-06-01","(2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid","2015-10-07"],["4ZO","ethyl N-{[4-(acetylamino)benzyl]carbamoyl}glycinate","C14 H19 N3 O4","C(=O)(C)Nc1ccc(cc1)CNC(NCC(=O)OCC)=O;CCOC(=O)CNC(=O)NCc1ccc(NC(C)=O)cc1;CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C","InChI=1S/C14H19N3O4/c1-3-21-13(19)9-16-14(20)15-8-11-4-6-12(7-5-11)17-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,20)","","2015-07-02","2016-07-15","ethyl N-{[4-(acetylamino)benzyl]carbamoyl}glycinate","2016-07-20"],["F17","N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE","C32 H29 N5 O9 S2","O=C5C=C(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(C2=CC(=O)NS2(=O)=O)cc3)Cc4ccccc4)S(=O)(=O)N5;NC(=O)[CH](Cc1ccc(cc1)C2=CC(=O)N[S]2(=O)=O)NC(=O)[CH](Cc3ccccc3)NC(=O)Cc4ccc(cc4)C5=CC(=O)N[S]5(=O)=O;c1ccc(cc1)CC(C(=O)NC(Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O","InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1","ISOTHIAZOLIDANONE ANALOGUE","2006-05-04","2021-03-01","N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide",""],["4ZP","ethyl N-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate","C17 H19 N3 O3","C(NC(NCC(=O)OCC)=O)c2cccc(c1cccnc1)c2;CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2;CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2","InChI=1S/C17H19N3O3/c1-2-23-16(21)12-20-17(22)19-10-13-5-3-6-14(9-13)15-7-4-8-18-11-15/h3-9,11H,2,10,12H2,1H3,(H2,19,20,22)","","2015-07-02","2016-07-15","ethyl N-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate","2016-07-20"],["F18","4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL","C9 H10 N6 O","N(=Nc1c(nnc1N)N)c2ccc(O)cc2;Nc1[nH]nc(N)c1N=Nc2ccc(O)cc2;c1cc(ccc1N=Nc2c([nH]nc2N)N)O","InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-","CAN508","2006-05-02","2021-03-01","4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol",""],["4ZQ","(1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol","C21 H25 F4 N7 O2","C(F)(C(n1c2c(nc1C(C)O)cnc(c2)Nc3ccnc(n3)N4CCC(C(C4)F)OC)C)(F)F;CO[CH]1CCN(C[CH]1F)c2nccc(Nc3cc4n([CH](C)C(F)(F)F)c(nc4cn3)[CH](C)O)n2;CC(c1nc2cnc(cc2n1C(C)C(F)(F)F)Nc3ccnc(n3)N4CCC(C(C4)F)OC)O","InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12+,13-,16+/m1/s1","","2015-07-02","2015-10-23","(1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol","2015-10-28"],["F19","2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE","C12 H14 N O6 P S","O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2;O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O","InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)","","2006-04-27","2011-06-04","2-[(naphthalen-2-ylsulfonyl)amino]ethyl dihydrogen phosphate",""],["F1A","2,4,6-trimethylbenzenesulfonamide","C9 H13 N O2 S","O=S(=O)(N)c1c(cc(cc1C)C)C;Cc1cc(C)c(c(C)c1)[S](N)(=O)=O;Cc1cc(c(c(c1)C)S(=O)(=O)N)C","InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)","","2012-11-30","2014-09-05","2,4,6-trimethylbenzenesulfonamide","2013-09-18"],["4ZR","(1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol","C21 H25 F4 N7 O2","C(F)(C(n1c2c(nc1C(C)O)cnc(c2)Nc3ccnc(n3)N4CC(C(CC4)OC)F)C)(F)F;CO[CH]1CCN(C[CH]1F)c2nccc(Nc3cc4n([CH](C)C(F)(F)F)c(nc4cn3)[CH](C)O)n2;CC(c1nc2cnc(cc2n1C(C)C(F)(F)F)Nc3ccnc(n3)N4CCC(C(C4)F)OC)O","InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12+,13+,16-/m1/s1","","2015-07-02","2015-10-23","(1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol","2015-10-28"],["F1B","(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one","C23 H25 N3 O2","CN1CCC(CC1)NC(c2ccccc2)=C3C(=O)Nc4ccc(cc34)C(C)=O;CC(=O)c1ccc2c(c1)C(=C(c3ccccc3)NC4CCN(CC4)C)C(=O)N2","InChI=1S/C23H25N3O2/c1-15(27)17-8-9-20-19(14-17)21(23(28)25-20)22(16-6-4-3-5-7-16)24-18-10-12-26(2)13-11-18/h3-9,14,18,24H,10-13H2,1-2H3,(H,25,28)/b22-21-","","2018-05-16","2019-03-22","(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one","2019-03-27"],["4ZS","N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide","C26 H30 F N7 O2 S","c4(c2n1c(cc(c(c1)C)CN(C)C)nc2c3cc(c(cc3)F)NS(=O)(=O)C)nc(ncc4)NCC5CC5;CN(C)Cc1cc2nc(c3ccc(F)c(N[S](C)(=O)=O)c3)c(n2cc1C)c4ccnc(NCC5CC5)n4;Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F","InChI=1S/C26H30FN7O2S/c1-16-14-34-23(12-19(16)15-33(2)3)31-24(18-7-8-20(27)22(11-18)32-37(4,35)36)25(34)21-9-10-28-26(30-21)29-13-17-5-6-17/h7-12,14,17,32H,5-6,13,15H2,1-4H3,(H,28,29,30)","","2015-07-02","2017-05-05","N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide","2017-05-10"],["4ZT","ethyl N-[(4-aminobenzyl)carbamoyl]-L-methioninate","C15 H23 N3 O3 S","N(C(NC(C(=O)OCC)CCSC)=O)Cc1ccc(cc1)N;CCOC(=O)[CH](CCSC)NC(=O)NCc1ccc(N)cc1;CCOC(=O)C(CCSC)NC(=O)NCc1ccc(cc1)N","InChI=1S/C15H23N3O3S/c1-3-21-14(19)13(8-9-22-2)18-15(20)17-10-11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3,(H2,17,18,20)/t13-/m0/s1","","2015-07-02","2016-07-15","ethyl N-[(4-aminobenzyl)carbamoyl]-L-methioninate","2016-07-20"],["F1C","3,5-bis(3-acetamidophenyl)benzoic acid","C23 H20 N2 O4","CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3cccc(NC(C)=O)c3)C(O)=O;CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C","InChI=1S/C23H20N2O4/c1-14(26)24-21-7-3-5-16(12-21)18-9-19(11-20(10-18)23(28)29)17-6-4-8-22(13-17)25-15(2)27/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)","","2017-07-27","2018-01-05","3,5-bis(3-acetamidophenyl)benzoic acid","2018-01-10"],["F1D","methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate","C22 H25 N7 O4","C(=O)(N4CCC(Oc3cc(C(Nc1nn2C(=O)CC(=Nc2n1)C)CC#N)ccc3)CC4)OC;COC(=O)N1CCC(CC1)Oc2cccc(c2)[CH](CC#N)Nc3nn4C(=O)CC(=Nc4n3)C;CC1=Nc2nc(nn2C(=O)C1)NC(CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC","InChI=1S/C22H25N7O4/c1-14-12-19(30)29-21(24-14)26-20(27-29)25-18(6-9-23)15-4-3-5-17(13-15)33-16-7-10-28(11-8-16)22(31)32-2/h3-5,13,16,18H,6-8,10-12H2,1-2H3,(H,25,27)/t18-/m1/s1","","2018-02-23","2018-03-29","methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate","2018-04-04"],["4ZU","6-bromanyl-1H-indole-2-carboxylic acid","C9 H6 Br N O2","OC(=O)c1[nH]c2cc(Br)ccc2c1;c1cc(cc2c1cc([nH]2)C(=O)O)Br","InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)","","2015-07-02","2016-08-05","6-bromanyl-1H-indole-2-carboxylic acid","2016-08-10"],["4ZV","1H-indole-5-carboxylic acid","C9 H7 N O2","OC(=O)c1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1C(=O)O","InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)","","2015-07-02","2016-08-05","1H-indole-5-carboxylic acid","2016-08-10"],["F1E","ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate","C16 H22 N6 O3","CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2;CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C","InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24)","","2018-05-16","2018-11-02","ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate","2018-11-07"],["4ZW","2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide","C14 H17 N3 O2","O=C1Cc2cc(ccc2N1)C(=O)NC3CCNCC3;c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2","InChI=1S/C14H17N3O2/c18-13-8-10-7-9(1-2-12(10)17-13)14(19)16-11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2,(H,16,19)(H,17,18)","","2015-07-02","2015-09-04","2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide","2015-09-09"],["F1G","1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE","C10 H10 F3 N3 O S2","FC(F)(F)c1nn(c2sc(cc12)C(=O)NCCS)C;Cn1nc(c2cc(sc12)C(=O)NCCS)C(F)(F)F;Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F","InChI=1S/C10H10F3N3OS2/c1-16-9-5(7(15-16)10(11,12)13)4-6(19-9)8(17)14-2-3-18/h4,18H,2-3H2,1H3,(H,14,17)","","2006-01-20","2024-09-27","1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide",""],["F1H","N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide","C16 H24 N2 O S","O=C(NC2CCN(Cc1ccccc1)CC2)CCCS;SCCCC(=O)NC1CCN(CC1)Cc2ccccc2;c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS","InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)","N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide","2008-03-10","2021-03-01","N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide",""],["4ZX","6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide","C28 H34 Cl N5 O4 S","Clc1cc2NC(=O)Cc2cc1C(=O)N[CH]3C[CH]4CC[CH](C3)N4[S](=O)(=O)N5CC[CH](CC5)NCc6ccccc6;c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3C4CCC3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6","InChI=1S/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-","","2015-07-02","2015-09-04","6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide","2015-09-09"],["F1I","N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide","C18 H28 N2 O3 S","O=C(NC2CCN(Cc1c(OC)cccc1OC)CC2)CCCS;COc1cccc(OC)c1CN2CCC(CC2)NC(=O)CCCS;COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC","InChI=1S/C18H28N2O3S/c1-22-16-5-3-6-17(23-2)15(16)13-20-10-8-14(9-11-20)19-18(21)7-4-12-24/h3,5-6,14,24H,4,7-13H2,1-2H3,(H,19,21)","N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide","2008-03-19","2021-03-13","N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",""],["4ZY","4-(aminomethyl)aniline","C7 H10 N2","NCc1ccc(N)cc1;NCc1ccc(N)cc1;c1cc(ccc1CN)N","InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2","","2013-05-15","2014-09-05","4-(aminomethyl)aniline","2014-05-28"],["F1J","(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide","C14 H20 F N3 O S","Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCS;Fc1ccc(CN2CCN[CH](C2)C(=O)NCCS)cc1;c1cc(ccc1CN2CCNC(C2)C(=O)NCCS)F","InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1","4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide","2008-03-19","2020-06-17","(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide",""],["4ZZ","ethyl N-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate","C17 H20 N4 O3","c2(c1c(cncc1)N)cccc(c2)CNC(NCC(=O)OCC)=O;CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N;CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N","InChI=1S/C17H20N4O3/c1-2-24-16(22)11-21-17(23)20-9-12-4-3-5-13(8-12)14-6-7-19-10-15(14)18/h3-8,10H,2,9,11,18H2,1H3,(H2,20,21,23)","","2015-07-02","2016-07-15","ethyl N-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate","2016-07-20"],["501","N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE","C17 H21 Cl N6","Clc1cc(c(cc1)C)Nc2nc3nc(cc(n3n2)NCCCC)C;CCCCNc1cc(C)nc2nc(Nc3cc(Cl)ccc3C)nn12;CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C","InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)","","2005-05-03","2011-06-04","N~7~-butyl-N~2~-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine",""],["F1K","(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide","C15 H22 F N3 O S","Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS;Fc1ccc(CN2CCN[CH](C2)C(=O)NCCCS)cc1;c1cc(ccc1CN2CCNC(C2)C(=O)NCCCS)F","InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1","4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide","2008-03-25","2021-03-01","(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide",""],["F1L","N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide","C18 H27 Br N2 O3 S","Brc1cc(c(OC)c(OC)c1)CN2CCC(NC(=O)CCCS)CC2;COc1cc(Br)cc(CN2CCC(CC2)NC(=O)CCCS)c1OC;COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br","InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22)","N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide","2008-03-20","2020-06-17","N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",""],["502","ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate","C11 H16 N4 O3","C(NC(NCC(=O)OCC)=O)c1ccnc(c1)N;CCOC(=O)CNC(=O)NCc1ccnc(N)c1;CCOC(=O)CNC(=O)NCc1ccnc(c1)N","InChI=1S/C11H16N4O3/c1-2-18-10(16)7-15-11(17)14-6-8-3-4-13-9(12)5-8/h3-5H,2,6-7H2,1H3,(H2,12,13)(H2,14,15,17)","","2015-07-02","2016-07-15","ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate","2016-07-20"],["503","[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate","C24 H28 F N3 O5 S","COc1[nH]c2ccc(F)cc2c1C(=O)OCC3CCN(CCN[S](=O)(=O)c4ccccc4)CC3;COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4","InChI=1S/C24H28FN3O5S/c1-32-23-22(20-15-18(25)7-8-21(20)27-23)24(29)33-16-17-9-12-28(13-10-17)14-11-26-34(30,31)19-5-3-2-4-6-19/h2-8,15,17,26-27H,9-14,16H2,1H3","","2018-03-02","2019-06-14","[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate","2019-06-19"],["F1M","N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide","C24 H32 Cl N3 O6 S","O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)cc3;COc1cc(Cl)cc(CN2CCC(CC2)NC(=O)COc3ccc(cc3)[S](N)(=O)=O)c1OC(C)C;CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N","InChI=1S/C24H32ClN3O6S/c1-16(2)34-24-17(12-18(25)13-22(24)32-3)14-28-10-8-19(9-11-28)27-23(29)15-33-20-4-6-21(7-5-20)35(26,30)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,27,29)(H2,26,30,31)","N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide","2008-03-11","2020-06-17","N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide",""],["F1N","N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide","C25 H34 Cl N3 O6 S","O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)c(c3)C;COc1cc(Cl)cc(CN2CCC(CC2)NC(=O)COc3ccc(cc3C)[S](N)(=O)=O)c1OC(C)C;Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N","InChI=1S/C25H34ClN3O6S/c1-16(2)35-25-18(12-19(26)13-23(25)33-4)14-29-9-7-20(8-10-29)28-24(30)15-34-22-6-5-21(11-17(22)3)36(27,31)32/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,28,30)(H2,27,31,32)","N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide","2008-03-23","2020-06-17","N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide",""],["504","2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide","C26 H29 N5 O2 S","c1cc(cc(c1)CC(=O)Nc2scc(n2)c3cnc4c3cccn4)OCCCC5CCNCC5;O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc3scc(n3)c4c[nH]c5ncccc45;c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5","InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)","","2017-03-06","2018-03-02","2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide","2018-03-07"],["505","(2R)-1-(2,6-dimethylphenoxy)propan-2-amine","C11 H17 N O","O(c1c(cccc1C)C)CC(N)C;C[CH](N)COc1c(C)cccc1C;Cc1cccc(c1OCC(C)N)C","InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1","","2007-12-05","2011-06-04","(2R)-1-(2,6-dimethylphenoxy)propan-2-amine",""],["F1P","1-O-phosphono-beta-D-fructopyranose","C6 H13 O9 P","O=P(O)(O)OCC1(O)OCC(O)C(O)C1O;O[CH]1CO[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O;C1C(C(C(C(O1)(COP(=O)(O)O)O)O)O)O","InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1","BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE; ((2R,3S,4R,5R)-TETRAHYDRO-2,3,4,5-TETRAHYDROXY-2H-PYRAN-2-YL)METHYL DIHYDROGEN\nPHOSPHATE; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose","2006-02-28","2020-07-17","1-O-phosphono-beta-D-fructopyranose",""],["F1Q","ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate","C14 H19 N7 O3","CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc2;CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2","InChI=1S/C14H19N7O3/c1-2-24-13(22)7-16-14(23)21(9-12-17-19-20-18-12)8-10-3-5-11(15)6-4-10/h3-6H,2,7-9,15H2,1H3,(H,16,23)(H,17,18,19,20)","","2018-05-16","2018-11-02","ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate","2018-11-07"],["506","(2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile","C21 H15 F2 N3 O4","N#CC=Cc3cc(Oc2ccc(F)cc2OCCN1C=CC(=O)NC1=O)cc(F)c3;Fc1ccc(Oc2cc(F)cc(C=CC#N)c2)c(OCCN3C=CC(=O)NC3=O)c1;c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)C=CC#N","InChI=1S/C21H15F2N3O4/c22-15-3-4-18(30-17-11-14(2-1-6-24)10-16(23)12-17)19(13-15)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+","","2012-09-19","2012-11-30","(2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile","2012-11-30"],["F1R","N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine","C21 H23 Cl N8 O","COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N)n4)c2c1;COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N","InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)","","2020-03-12","2020-07-10","~{N}4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine","2020-07-15"],["507","1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone","C19 H20 N4 O2","O=C(c1cccc(c1)c2cnc3ccc(nn23)NC4CCOCC4)C;CC(=O)c1cccc(c1)c2cnc3ccc(NC4CCOCC4)nn23;CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4","InChI=1S/C19H20N4O2/c1-13(24)14-3-2-4-15(11-14)17-12-20-19-6-5-18(22-23(17)19)21-16-7-9-25-10-8-16/h2-6,11-12,16H,7-10H2,1H3,(H,21,22)","","2010-09-10","2011-06-04","1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone",""],["F1S","N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide","C20 H23 Cl N8 O3 S","O=S(=O)(Nc1cc(cnc1Cl)Nc3ncc(cc3c2nc(nc(n2)N)C)C4CCOCC4)C;Cc1nc(N)nc(n1)c2cc(cnc2Nc3cnc(Cl)c(N[S](C)(=O)=O)c3)C4CCOCC4;Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4","InChI=1S/C20H23ClN8O3S/c1-11-25-19(28-20(22)26-11)15-7-13(12-3-5-32-6-4-12)9-24-18(15)27-14-8-16(17(21)23-10-14)29-33(2,30)31/h7-10,12,29H,3-6H2,1-2H3,(H,24,27)(H2,22,25,26,28)","","2012-05-24","2012-08-03","N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide",""],["508","(1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone","C31 H34 N2 O","O=C(N3C(c1ccccc1)CC(c2ccccc2)CC3)C6C5(c4ccccc4CCC5)CNC6;O=C([CH]1CNC[C]12CCCc3ccccc23)N4CC[CH](C[CH]4c5ccccc5)c6ccccc6;c1ccc(cc1)C2CCN(C(C2)c3ccccc3)C(=O)C4CNCC45CCCc6c5cccc6","InChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1","","2011-11-04","2012-01-13","(1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone",""],["509","4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID","C13 H9 Br O5 S","O=C(O)c2sc(c1ccccc1)c(Br)c2OCC(=O)O;OC(=O)COc1c(Br)c(sc1C(O)=O)c2ccccc2;c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br","InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)","","2006-05-30","2011-06-04","4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid",""],["F1T","3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine","C14 H11 F3 N4 O","Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1;Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C14H11F3N4O/c1-7-11-12(18-8(2)19-13(11)22-21-7)20-10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,20)","","2018-05-16","2018-09-14","3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine","2018-09-19"],["F1U","(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol","C16 H25 N O2","COc1cccc(c1)[C]2(O)CCCC[CH]2CN(C)C;CN(C)CC1CCCCC1(c2cccc(c2)OC)O","InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1","(s,s)-tramadol","2020-03-13","2021-02-12","(1~{S},2~{S})-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol","2021-02-17"],["50A","2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose","C5 H10 F O7 P","FC1C(O)C(OC1O)COP(=O)(O)O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1F;C(C1C(C(C(O1)O)F)O)OP(=O)(O)O","InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1","Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;\n2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribose; 2-deoxy-2-fluoro-5-O-phosphono-D-ribose;\n2-deoxy-2-fluoro-5-O-phosphono-ribose","2011-05-24","2024-09-27","2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose",""],["F1V","N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide","C16 H22 N2 O2","c1(OC)ccc2c(c1)c(CCNC(=O)C(C)(C)C)cn2;COc1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1;CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC","InChI=1S/C16H22N2O2/c1-16(2,3)15(19)17-8-7-11-10-18-14-6-5-12(20-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)","","2018-02-23","2018-03-29","N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide","2018-04-04"],["50B","13-diphenylalkyl Berberine","C36 H34 N O4","O1COc2c1cc5c(c2)c4c(c3c(c(OC)c(OC)cc3)c[n+]4CC5)CCCC(c6ccccc6)c7ccccc7;COc1ccc2c(CCCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC;COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7","InChI=1S/C36H34NO4/c1-38-32-17-16-28-29(15-9-14-27(24-10-5-3-6-11-24)25-12-7-4-8-13-25)35-30-21-34-33(40-23-41-34)20-26(30)18-19-37(35)22-31(28)36(32)39-2/h3-8,10-13,16-17,20-22,27H,9,14-15,18-19,23H2,1-2H3/q+1","","2015-07-03","2016-07-15","13-(4,4-diphenylbutyl)-9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium","2016-07-20"],["F1W","4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide","C25 H34 N4 O2 S","CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1;CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C","InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)","","2018-05-17","2019-11-22","4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide","2019-11-27"],["50C","3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine","C10 H10 F N3","c2c(ccc(c1c(C)c(N)nn1)c2)F;Cc1c(N)[nH]nc1c2ccc(F)cc2;Cc1c(n[nH]c1N)c2ccc(cc2)F","InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)","","2015-07-06","2016-08-05","3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine","2016-08-10"],["50D","2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile","C23 H26 F2 N6 O","FC1(F)CCN(C1)c2cc(cc(Nc3cc(ccn3)C#N)n2)C4CCN(CC4)C5COC5;c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5","InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)","","2015-07-07","2015-10-09","2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile","2015-10-14"],["F1X","1-O-phosphono-beta-D-fructofuranose","C6 H13 O9 P","O=P(OCC1(O)OC(C(O)C1O)CO)(O)O;OC[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1","beta D-Fructose 1-phosphate; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose","2010-08-04","2020-07-17","1-O-phosphono-beta-D-fructofuranose",""],["F1Y","N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide","C17 H18 N4 O2","c3(ccc(Nc2c(CCC)nc1ccccn12)cc3)C(=O)NO;CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO;CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO","InChI=1S/C17H18N4O2/c1-2-5-14-16(21-11-4-3-6-15(21)19-14)18-13-9-7-12(8-10-13)17(22)20-23/h3-4,6-11,18,23H,2,5H2,1H3,(H,20,22)","","2018-02-23","2018-06-08","N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide","2018-06-13"],["50E","N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine","C17 H22 F3 N5","CC(C)n1nc(Nc2cc(ccn2)C(F)(F)F)cc1C3CCNCC3;CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3","InChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24)","","2015-07-07","2015-10-09","N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine","2015-10-14"],["50F","2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile","C22 H28 N6 O","N#Cc1ccnc(Nc2cc(C3CCN(CC3)C4COC4)n(n2)C5CCCC5)c1;c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5","InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)","","2015-07-07","2015-10-09","2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile","2015-10-14"],["F1Z","ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate","C15 H19 N3 O3","CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1;CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N","InChI=1S/C15H19N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h1,5-8H,4,9-11,16H2,2H3,(H,17,20)","","2018-05-17","2018-11-02","ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate","2018-11-07"],["F20","N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE","C28 H28 N4 O6 S","O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4;NC(=O)[CH](Cc1ccc(cc1)[CH]2CC(=O)N[S]2(=O)=O)NC(=O)[CH](Cc3ccccc3)NC(=O)c4ccccc4;c1ccc(cc1)CC(C(=O)NC(Cc2ccc(cc2)C3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4","InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1","ISOTHIAZOLIDINONE ANALOG","2006-05-04","2021-03-01","N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide",""],["50G","DENDRON-D1","C31 H50 N10 O18","OC1C(C(OC(O)C1O)n2nnc(c2)COCC(N)(COCc3nnn(c3)C4OC(CO)C(O)C(O)C4O)COCc5nnn(c5)C6OC(CO)C(O)C(O)C6O)CO;N[C](COCc1cn(nn1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)(COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)COCc5cn(nn5)C6OC(O)C(O)C(O)C6CO;c1c(nnn1C2C(C(C(C(O2)O)O)O)CO)COCC(COCc3cn(nn3)C4C(C(C(C(O4)CO)O)O)O)(COCc5cn(nn5)C6C(C(C(C(O6)CO)O)O)O)N","InChI=1S/C31H50N10O18/c32-31(10-54-7-13-1-39(36-33-13)27-16(4-42)19(45)26(52)30(53)59-27,11-55-8-14-2-40(37-34-14)28-24(50)22(48)20(46)17(5-43)57-28)12-56-9-15-3-41(38-35-15)29-25(51)23(49)21(47)18(6-44)58-29/h1-3,16-30,42-53H,4-12,32H2/t16?,17-,18-,19?,20+,21+,22+,23+,24-,25-,26?,27?,28-,29-,30?/m1/s1","","2014-08-29","2014-11-07","6-[4-({2-amino-3-({1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-1H-1,2,3-triazol-4-yl}methoxy)-2-[({1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-1H-1,2,3-triazol-4-yl}methoxy)methyl]propoxy}methyl)-1H-1,2,3-triazol-1-yl]-5-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol (non-preferred name)","2014-11-12"],["50H","3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide","C21 H19 N5 O3","n1c(cn3ccnc3c1Nc2ccc(OC)c(OC)c2)c4cc(C(=O)N)ccc4;COc1ccc(Nc2nc(cn3ccnc23)c4cccc(c4)C(N)=O)cc1OC;COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N","InChI=1S/C21H19N5O3/c1-28-17-7-6-15(11-18(17)29-2)24-20-21-23-8-9-26(21)12-16(25-20)13-4-3-5-14(10-13)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,25)","","2015-07-07","2015-10-02","3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide","2015-10-07"],["F21","(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE","C14 H19 F N2 O2 S2","O=S(=O)(N1CCSCC1)c2ccc3c(c2)CNC(CF)C3;FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CCSCC3;c1cc2c(cc1S(=O)(=O)N3CCSCC3)CNC(C2)CF","InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1","3-FLUOROMETHYL 7-THIOMORPHOLINOSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE","2006-03-03","2021-03-13","(3R)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline",""],["F22","(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid","C22 H32 O2","O=C(O)CCC=C/C/C=CCC=C/CC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O;CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O","InChI=1/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/f/h23H","","2008-06-02","2008-10-14","(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid",""],["50I","3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide","C20 H23 N7 O2","NC(=N)NC(=O)c1nc(c2oc3ccccc3c2)c(nc1N)N4CCCCCC4;c1ccc2c(c1)cc(o2)c3c(nc(c(n3)C(=O)NC(=N)N)N)N4CCCCCC4","InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28)","","2018-02-15","2018-12-14","3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide","2018-12-19"],["F23","TRICOSANOIC ACID","C23 H46 O2","O=C(O)CCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)","","2002-04-30","2011-06-04","tricosanoic acid",""],["50J","3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide","C29 H26 N6 O4","CNC(=O)c1ccc(cc1)NC(c2cc(ccc2)c5cn3ccnc3c(Nc4ccc(c(c4)OC)OC)n5)=O;CNC(=O)c1ccc(NC(=O)c2cccc(c2)c3cn4ccnc4c(Nc5ccc(OC)c(OC)c5)n3)cc1;CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC","InChI=1S/C29H26N6O4/c1-30-28(36)18-7-9-21(10-8-18)33-29(37)20-6-4-5-19(15-20)23-17-35-14-13-31-27(35)26(34-23)32-22-11-12-24(38-2)25(16-22)39-3/h4-17H,1-3H3,(H,30,36)(H,32,34)(H,33,37)","","2015-07-07","2015-10-02","3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide","2015-10-07"],["F24","(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid","C18 H30 O5","O=C(O)C=C(C=C(/C)CC(CCCCC(O)C(C=O)CO)C)C;C[CH](CCCC[CH](O)[CH](CO)C=O)CC(C)=CC(C)=CC(O)=O;CC(CCCCC(C(CO)C=O)O)CC(=CC(=CC(=O)O)C)C","InChI=1S/C18H30O5/c1-13(8-14(2)9-15(3)10-18(22)23)6-4-5-7-17(21)16(11-19)12-20/h9-11,13,16-17,20-21H,4-8,12H2,1-3H3,(H,22,23)/b14-9+,15-10?/t13-,16-,17-/m1/s1","Antibiotic 1233A, Bound Form","2005-12-23","2024-09-27","(2E,4E,7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid",""],["50K","2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1H-indole-5-carboximidamide","C20 H22 N4 O","N/C(c4ccc3nc(c2nc(C1(CCCCC1)O)ccc2)cc3c4)=N;NC(=N)c1ccc2[nH]c(cc2c1)c3cccc(n3)C4(O)CCCCC4;c1cc(nc(c1)C2(CCCCC2)O)c3cc4cc(ccc4[nH]3)C(=N)N","InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)","","2015-07-08","2016-07-01","2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1H-indole-5-carboximidamide","2016-07-06"],["50L","(5S)-2-amino-8-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one","C10 H14 N5 O8 P","O=P(O)(O)OCC1OC(N2C=CN3C(=O)N=C(N)N=C32)C(O)C1O;NC1=NC(=O)N2C=CN([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C2=N1;C1=CN2C(=NC(=NC2=O)N)N1C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C10H14N5O8P/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(23-7)3-22-24(19,20)21/h1-2,4-7,16-17H,3H2,(H2,11,13,18)(H2,19,20,21)/t4-,5-,6-,7-/m1/s1","","2015-07-08","2024-04-25","(5S)-2-amino-8-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one","2015-08-12"],["F25","4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE","C24 H27 F3 N4 O","Fc1ccc(cc1)CN2C(=O)C5C(C2C(F)F)C3N(CCC3)C5c4ccc(cc4)C(N)N;NC(N)c1ccc(cc1)[CH]2[CH]3[CH]([CH]4CCCN24)[CH](C(F)F)N(Cc5ccc(F)cc5)C3=O;c1cc(ccc1CN2C(C3C4CCCN4C(C3C2=O)c5ccc(cc5)C(N)N)C(F)F)F","InChI=1S/C24H27F3N4O/c25-16-9-3-13(4-10-16)12-31-21(22(26)27)18-17-2-1-11-30(17)20(19(18)24(31)32)14-5-7-15(8-6-14)23(28)29/h3-10,17-23H,1-2,11-12,28-29H2/t17-,18-,19-,20-,21-/m0/s1","","2006-05-17","2011-06-04","(1S,3aS,4R,8aS,8bR)-4-[4-(diaminomethyl)phenyl]-1-(difluoromethyl)-2-(4-fluorobenzyl)octahydropyrrolo[3,4-a]pyrrolizin-3(2H)-one",""],["F26","2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene","C40 H52","CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C;Cc1ccc(c(c1C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C","InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+","","2020-03-17","2020-11-20","2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene","2020-11-25"],["50M","(2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione","C17 H18 N4 O6","C32C4(Cc1cc(ccc1N2CC(OC3C)C)[N+]([O-])=O)C(NC(=O)N=C4O)=O;C[CH]1CN2[CH]([CH](C)O1)[C]3(Cc4cc(ccc24)[N+]([O-])=O)C(=NC(=O)NC3=O)O;CC1CN2c3ccc(cc3CC4(C2C(O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-]","InChI=1S/C17H18N4O6/c1-8-7-20-12-4-3-11(21(25)26)5-10(12)6-17(13(20)9(2)27-8)14(22)18-16(24)19-15(17)23/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,19,22,23,24)/t8-,9+,13-/m1/s1","","2015-07-08","2015-12-11","(2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione","2015-12-16"],["F27","6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid","C24 H18 N2 O4","O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4;OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O","InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)","6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate","2009-10-20","2024-09-27","6-{2-[3-(biphenyl-4-yl)propanoyl]-1,3-oxazol-5-yl}pyridine-2-carboxylic acid",""],["50N","(1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol","C10 H14 N3 O10 P","P(O)(OCC1OC(C(C1O)O)c2c(O)nc(c(c2)[N+]([O-])=O)N)(O)=O;Nc1nc(O)c(cc1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1c(c(nc(c1[N+](=O)[O-])N)O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H14N3O10P/c11-9-4(13(17)18)1-3(10(16)12-9)8-7(15)6(14)5(23-8)2-22-24(19,20)21/h1,5-8,14-15H,2H2,(H3,11,12,16)(H2,19,20,21)/t5-,6-,7-,8+/m1/s1","","2015-07-08","2015-08-07","(1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol","2015-08-12"],["F28","4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde","C21 H22 N2 O2","O=CN1CCC(CC1)N2[CH]([CH](C2=O)c3ccccc3)c4ccccc4;c1ccc(cc1)C2C(N(C2=O)C3CCN(CC3)C=O)c4ccccc4","InChI=1S/C21H22N2O2/c24-15-22-13-11-18(12-14-22)23-20(17-9-5-2-6-10-17)19(21(23)25)16-7-3-1-4-8-16/h1-10,15,18-20H,11-14H2/t19-,20+/m1/s1","","2023-07-18","2024-09-27","4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde","2024-01-31"],["50O","N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","C20 H26 N6 O3","C(N(C1CC1)C2CC2)(c3n(c5c(c3)c4c(ncn4C)c(n5)NC)CC(CO)O)=O;CNc1nc2n(C[CH](O)CO)c(cc2c3n(C)cnc13)C(=O)N(C4CC4)C5CC5;CNc1c2c(c3cc(n(c3n1)CC(CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C","InChI=1S/C20H26N6O3/c1-21-18-16-17(24(2)10-22-16)14-7-15(25(19(14)23-18)8-13(28)9-27)20(29)26(11-3-4-11)12-5-6-12/h7,10-13,27-28H,3-6,8-9H2,1-2H3,(H,21,23)/t13-/m0/s1","","2015-07-08","2015-08-21","N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","2015-08-26"],["50P","7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C16 H14 N4 O","C2(C(C)C)=C(c1ccccc1)Nc3n(C2=O)ncc3C#N;CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3ccccc3;CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3","InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3","","2015-07-08","2016-05-13","7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2016-05-18"],["F29","1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE","C21 H17 N7","n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N;Nc1nn(CC=C)c2nnc(cc12)c3c4ccccn4nc3c5ccccc5;C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N","InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)","FR296110","2005-03-11","2021-03-01","5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine",""],["F2A","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine","C11 H18 N5 O11 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1","","2008-02-04","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine",""],["50Q","5-(3,4-dichloro-phenoxy)-benzene-1,3-diol","C12 H8 Cl2 O3","Clc2ccc(Oc1cc(O)cc(O)c1)cc2Cl;Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1;c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl","InChI=1S/C12H8Cl2O3/c13-11-2-1-9(6-12(11)14)17-10-4-7(15)3-8(16)5-10/h1-6,15-16H","","2013-05-30","2014-09-05","5-(3,4-dichlorophenoxy)benzene-1,3-diol","2013-10-23"],["F2B","N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE","C14 H12 F2 N2 O3 S","Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F;c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)","","2000-10-27","2011-06-04","N-(2,3-difluorobenzyl)-4-sulfamoylbenzamide",""],["50R","4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide","C15 H11 I N2 O2 S","c1(C(NC)=O)sc2cncc(c2c1)Oc3ccc(cc3)I;CNC(=O)c1sc2cncc(Oc3ccc(I)cc3)c2c1;CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I","InChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)","","2015-07-08","2016-02-05","4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide","2016-02-10"],["F2C","6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid","C22 H22 N2 O4","O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCCCCc3ccccc3;OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCCCCCc3ccccc3;c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O","InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)","6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate","2009-10-14","2024-09-27","6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid",""],["50T","ADENOSINE-5'-PHOSPHOVANADATE","C10 H17 N5 O11 P V","O=P(O[V](O)(O)(O)O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[V](O)(O)(O)O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N","InChI=1S/C10H14N5O7P.4H2O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);4*1H2;/q;;;;;+5/p-5/t4-,6-,7-,10-;;;;;/m1...../s1","","2013-06-04","2014-09-05","vanadium(5+) hydroxide 5'-O-[(R)-hydroxyphosphinato]adenosine (1:4:1)","2013-07-17"],["50U","(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide","C22 H32 N4 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCC2CCCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)CCC3CCCCC3)C(=N)N","InChI=1S/C22H32N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1","","2007-11-28","2012-01-05","N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)-L-prolinamide",""],["F2D","3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one","C19 H25 N O","O=C1c2ccccc2NC(CC=CCCCCCC)=C1C;CCCCCCC=CCC1=C(C)C(=O)c2ccccc2N1;CCCCCCC=CCC1=C(C(=O)c2ccccc2N1)C","InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+","","2021-12-14","2022-02-25","3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one","2022-03-02"],["F2E","1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea","C24 H32 Br N5 O4","C[CH](OCCCO)[CH](NC(=O)NCc1ccc(N)cc1)C(=O)N2CCCN2c3ccccc3Br;CC(C(C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO","InChI=1S/C24H32BrN5O4/c1-17(34-15-5-14-31)22(28-24(33)27-16-18-8-10-19(26)11-9-18)23(32)30-13-4-12-29(30)21-7-3-2-6-20(21)25/h2-3,6-11,17,22,31H,4-5,12-16,26H2,1H3,(H2,27,28,33)/t17-,22+/m1/s1","","2018-05-17","2019-05-24","1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea","2019-05-29"],["50V","N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","C23 H28 N8 O","n1(c4c(cc1C(=O)N(C2CC2)C3CC3)c6c(c(n4)Nc5cc(C)n(C)n5)ncn6C)CC;CCn1c(cc2c1nc(Nc3cc(C)n(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6;CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6","InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)","","2015-07-08","2015-08-21","N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","2015-08-26"],["50W","N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","C23 H27 N7 O S","C(c4n(CC)c1c(c3c(c(n1)Nc2sc(c(n2)C)C)ncn3C)c4)(=O)N(C5CC5)C6CC6;CCn1c(cc2c1nc(Nc3sc(C)c(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6;CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6","InChI=1S/C23H27N7OS/c1-5-29-17(22(31)30(14-6-7-14)15-8-9-15)10-16-19-18(24-11-28(19)4)20(26-21(16)29)27-23-25-12(2)13(3)32-23/h10-11,14-15H,5-9H2,1-4H3,(H,25,26,27)","","2015-07-08","2015-08-21","N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","2015-08-26"],["F2F","3,4-difluoro-L-phenylalanine","C9 H9 F2 N O2","Fc1ccc(cc1F)CC(C(=O)O)N;N[CH](Cc1ccc(F)c(F)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)F)F","InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1","","2008-05-20","2024-09-27","3,4-difluoro-L-phenylalanine",""],["F2G","3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL","C21 H45 N3 O7","O(C(O)NC(C(C)C)C(O)NC(C)C(O)NC(CC(O)O)C(O)C)CC1CCCCC1;CC(C)[CH](N[CH](O)OCC1CCCCC1)[CH](O)N[CH](C)[CH](O)N[CH](CC(O)O)[CH](C)O;CC(C)C(C(NC(C)C(NC(CC(O)O)C(C)O)O)O)NC(O)OCC1CCCCC1","InChI=1S/C21H45N3O7/c1-12(2)18(24-21(30)31-11-15-8-6-5-7-9-15)20(29)22-13(3)19(28)23-16(14(4)25)10-17(26)27/h12-30H,5-11H2,1-4H3/t13-,14-,16-,18-,19-,20+,21?/m0/s1","","2006-01-20","2011-06-04","(3S,5S,6R,8S,9S,11S)-1-cyclohexyl-11-[(1S)-1-hydroxyethyl]-8-methyl-5-(1-methylethyl)-2-oxa-4,7,10-triazatridecane-3,6,9,13,13-pentol (non-preferred name)",""],["50X","(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide","C28 H26 Cl F3 N4 O4 S","O[CH]([CH](O)C(=O)N1CCC[CH]1c2cccc(Cl)c2)C(=O)NCc3sc(Cn4c5ccccc5nc4C(F)(F)F)cc3;c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)C(C(C(=O)N4CCCC4c5cccc(c5)Cl)O)O)C(F)(F)F","InChI=1S/C28H26ClF3N4O4S/c29-17-6-3-5-16(13-17)21-9-4-12-35(21)26(40)24(38)23(37)25(39)33-14-18-10-11-19(41-18)15-36-22-8-2-1-7-20(22)34-27(36)28(30,31)32/h1-3,5-8,10-11,13,21,23-24,37-38H,4,9,12,14-15H2,(H,33,39)/t21-,23-,24-/m1/s1","","2010-01-22","2011-06-04","(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide",""],["50Y","N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","C22 H30 N6 O2","CCn5c1c(c2c(c(n1)NCCCOC)ncn2C)cc5C(=O)N(C3CC3)C4CC4;CCn1c(cc2c1nc(NCCCOC)c3ncn(C)c23)C(=O)N(C4CC4)C5CC5;CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5","InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25)","","2015-07-08","2015-08-21","N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide","2015-08-26"],["F2H","4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate","C35 H22 N4 O15 S4","[O-][S](=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4ccc(c5cccc(c45)[S]([O-])(=O)=O)[S]([O-])(=O)=O)c2)c6c1cccc6[S]([O-])(=O)=O;c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-]","InChI=1S/C35H26N4O15S4/c40-33(38-25-13-15-27(55(43,44)45)23-9-3-11-29(31(23)25)57(49,50)51)19-5-1-7-21(17-19)36-35(42)37-22-8-2-6-20(18-22)34(41)39-26-14-16-28(56(46,47)48)24-10-4-12-30(32(24)26)58(52,53)54/h1-18H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4","","2018-05-18","2019-05-24","4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate","2019-05-29"],["F2I","N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE","C32 H38 F2 I N3 O3","Ic1cc(ccc1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC)c2)C)Cc3cc(F)cc(F)c3;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc(I)c3;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(CNCc3cccc(c3)I)O)C","InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1","","2006-10-17","2011-06-04","N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["50Z","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone","C12 H12 N4 O S","O=C(c1sc(nc1N)NCC=C)c2ncccc2;Nc1nc(NCC=C)sc1C(=O)c2ccccn2;C=CCNc1nc(c(s1)C(=O)c2ccccn2)N","InChI=1S/C12H12N4OS/c1-2-6-15-12-16-11(13)10(18-12)9(17)8-5-3-4-7-14-8/h2-5,7H,1,6,13H2,(H,15,16)","","2011-05-16","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone","2012-10-26"],["510","methyl\n(2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox\nylate","C12 H22 N2 O12 S2","COC(=O)[CH]1C[CH](CN1[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)O[S](N)(=O)=O;COC(=O)C1CC(CN1S(=O)(=O)C2C(C(C(C(O2)CO)O)O)O)OS(=O)(=O)N","InChI=1S/C12H22N2O12S2/c1-24-11(19)6-2-5(26-28(13,22)23)3-14(6)27(20,21)12-10(18)9(17)8(16)7(4-15)25-12/h5-10,12,15-18H,2-4H2,1H3,(H2,13,22,23)/t5-,6+,7+,8-,9-,10-,12+/m1/s1","","2015-07-08","2020-07-17","methyl\n(2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox\nylate","2015-08-05"],["F2J","N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide","C18 H20 N4 S","c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4;N=C(Nc1ccc2n(ccc2c1)C3CCNCC3)c4sccc4;c1cc(sc1)C(=N)Nc2ccc3c(c2)ccn3C4CCNCC4","InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)","","2018-02-26","2018-10-26","N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide","2018-10-31"],["F2K","(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile","C14 H9 Cl N4 O3","NC1=C(C#N)[CH](c2ccc(Cl)cc2)C3=C(NC(=O)NC3=O)O1;c1cc(ccc1C2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl","InChI=1S/C14H9ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)/t9-/m0/s1","","2018-05-18","2019-02-22","(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile","2019-02-27"],["511","[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid","C18 H14 Cl N O4","Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3)CC(=O)O;COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3;COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O","InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)","2'-desmethyl-indomethacin","2012-01-19","2021-03-01","[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid","2013-03-06"],["512","4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID","C7 H5 Br O5 S","Brc1c(OCC(=O)O)c(sc1)C(=O)O;OC(=O)COc1c(Br)csc1C(O)=O;c1c(c(c(s1)C(=O)O)OCC(=O)O)Br","InChI=1S/C7H5BrO5S/c8-3-2-14-6(7(11)12)5(3)13-1-4(9)10/h2H,1H2,(H,9,10)(H,11,12)","","2006-06-14","2011-06-04","4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid",""],["F2L","~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide","C8 H7 F2 N O","CC(=O)Nc1c(F)cccc1F;CC(=O)Nc1c(cccc1F)F","InChI=1S/C8H7F2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)","","2022-01-18","2022-08-22","~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide","2022-02-09"],["513","1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE","C9 H8 Br N S","Brc2cc1c(scc1CN)cc2;NCc1csc2ccc(Br)cc12;c1cc2c(cc1Br)c(cs2)CN","InChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2","FRAGMENT CC33513","2011-12-08","2020-06-17","1-(5-bromo-1-benzothiophen-3-yl)methanamine",""],["F2M","(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine","C9 H13 N O","CC=CN(C)Cc1occc1;CC=CN(C)Cc1ccco1","InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+","F2MPA","2017-01-03","2020-06-17","(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine","2017-01-11"],["F2N","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE","C36 H43 N9 O16 P2","O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)CCc7ccccc7)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7","InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1","1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE","2007-06-07","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["514","(3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM","C14 H11 N4 O2","O=C([N+]3=CC=2C(=N/C(=O)c1ccccc1)N=NC=2C3)C;CC(=O)[N+]1=CC2=C(C1)N=NC2=NC(=O)c3ccccc3;CC(=O)[N+]1=CC2=C(C1)N=NC2=NC(=O)c3ccccc3","InChI=1S/C14H11N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-7H,8H2,1H3/q+1/b15-13+","","2005-10-19","2012-01-05","(3E)-5-acetyl-3-[(phenylcarbonyl)imino]-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium",""],["F2O","MU-OXO-DIIRON(III)","Fe2 O","[Fe]O[Fe];O([Fe])[Fe]","InChI=1/2Fe.O/rFe2O/c1-3-2","","2005-02-11","2009-09-21","ferriooxyiron",""],["515","3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC\nACID","C40 H37 N3 O10","O=C(O)c1ccccc1N(C(=O)C(=O)O)c3c2c(cccc2)c(cc3)CC(NC(=O)C)C(=O)NCCCCCOc5c(cc4c(cccc4)c5)C(=O)O;CC(=O)N[CH](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c3ccccc13)C(=O)NCCCCCOc4cc5ccccc5cc4C(O)=O;CC(=O)NC(Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O","InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1","COMPOUND 23","2003-01-30","2020-06-17","3-[(5-{[(2S)-2-(acetylamino)-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]naphthalen-1-yl}propanoyl]amino}pentyl)oxy]naphthalene-2-carboxylic acid (non-preferred name)",""],["516","N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide","C29 H36 N4 O2 S","O=C(NC(C(=O)N1CCCC1c2nc(cs2)c4c3ccccc3ccc4)C5CCCCC5)C(NC)C;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2CCC[CH]2c3scc(n3)c4cccc5ccccc45;CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2c3nc(cs3)c4cccc5c4cccc5)NC","InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1","","2009-04-15","2011-06-04","N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide",""],["F2P","1,6-DI-O-PHOSPHONO-D-ALLITOL","C6 H16 O12 P2","O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+","","2004-09-27","2024-09-27","1,6-di-O-phosphono-D-allitol",""],["F2R","ADP-ribosyl-L-arginine","C21 H35 N9 O15 P2","N[CH](CCCNC(=N)N[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)NC(=N)NCCCC(C(=O)O)N)O)O)O)O)N","InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1","","2018-08-28","2018-11-23","(2~{S})-5-[[~{N}-[(2~{S},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]carbamimidoyl]amino]-2-azanyl-pentanoic acid","2018-11-28"],["517","1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA","C15 H14 N4 O2","O=C(N)NC3=CC=1C(=NC(=O)C=1C(c2cccn2)C)C=C3;C[CH](c1[nH]ccc1)C2=C3C=C(NC(N)=O)C=CC3=NC2=O;CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N","InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-8,17H,1H3,(H3,16,18,21)/t8-/m0/s1","","2007-04-04","2011-06-04","1-{2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-5-yl}urea",""],["F2S","11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C34 H44 N8 O3","c3(C(N1CCC(CC1)N2CCN(CC2)C)=O)ccc(c(c3)OC)Nc6ncc5N(C(=O)c4c(cccc4)N(C(C)CC)c5n6)C;CC[CH](C)N1c2ccccc2C(=O)N(C)c3cnc(Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc13;CCC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C","InChI=1S/C34H44N8O3/c1-6-23(2)42-28-10-8-7-9-26(28)33(44)39(4)29-22-35-34(37-31(29)42)36-27-12-11-24(21-30(27)45-5)32(43)41-15-13-25(14-16-41)40-19-17-38(3)18-20-40/h7-12,21-23,25H,6,13-20H2,1-5H3,(H,35,36,37)/t23-/m1/s1","","2018-02-26","2018-08-24","11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2018-08-29"],["518","N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide","C29 H29 N3 O5","O=C(c4oc(c3ccc(NC(=O)c1oc2ccccc2c1)cc3)cc4)NC(C(=O)NC)C5CCCCC5;CNC(=O)[CH](NC(=O)c1oc(cc1)c2ccc(NC(=O)c3oc4ccccc4c3)cc2)C5CCCCC5;CNC(=O)C(C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4","InChI=1S/C29H29N3O5/c1-30-29(35)26(19-7-3-2-4-8-19)32-27(33)24-16-15-23(36-24)18-11-13-21(14-12-18)31-28(34)25-17-20-9-5-6-10-22(20)37-25/h5-6,9-17,19,26H,2-4,7-8H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t26-/m0/s1","","2009-07-13","2011-06-04","N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide",""],["519","1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea","C20 H30 N6 O2","CC(C)NC(=O)NC1CCC(CC1)Nc2nc3c(cn2)C=CC(=O)N3C(C)C;CC(C)NC(=O)N[CH]1CC[CH](CC1)Nc2ncc3C=CC(=O)N(C(C)C)c3n2;CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C","InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-","","2015-03-13","2015-05-01","1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea","2015-05-06"],["F2T","2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine","C9 H12 F N2 O7 P S","P(S)(=O)(OCC1OC(C(C1O)F)N2C(=O)NC(=O)C=C2)O;O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)F","InChI=1S/C9H12FN2O7PS/c10-6-7(14)4(3-18-20(16,17)21)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1","","2016-05-13","2016-07-15","2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine","2016-07-20"],["51A","N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide","C21 H17 F N6 O2","Fc1ccc2OCCc2c1CNc3ncc(NC(=O)c4ccccc4)c5nncn35;c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F","InChI=1S/C21H17FN6O2/c22-16-6-7-18-14(8-9-30-18)15(16)10-23-21-24-11-17(19-27-25-12-28(19)21)26-20(29)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,24)(H,26,29)","","2021-07-07","2021-12-03","~{N}-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide","2021-12-08"],["F2U","2'-deoxy-5-ethynyl-2',2'-difluorouridine","C11 H10 F2 N2 O5","O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2(F)F)CO;OC[CH]1O[CH](N2C=C(C#C)C(=O)NC2=O)C(F)(F)[CH]1O;C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F","InChI=1S/C11H10F2N2O5/c1-2-5-3-15(10(19)14-8(5)18)9-11(12,13)7(17)6(4-16)20-9/h1,3,6-7,9,16-17H,4H2,(H,14,18,19)/t6-,7-,9-/m1/s1","2'-deoxy-2',2'-difluoro-5-ethynyluridine","2014-02-12","2021-03-13","2'-deoxy-5-ethynyl-2',2'-difluorouridine","2014-08-13"],["F2V","6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine","C20 H20 Cl F3 N6","Cn1cnc2ncnc(N3CC[C]4(CCN(C4)c5ccc(c(Cl)c5)C(F)(F)F)C3)c12;Cn1cnc2c1c(ncn2)N3CCC4(C3)CCN(C4)c5ccc(c(c5)Cl)C(F)(F)F","InChI=1S/C20H20ClF3N6/c1-28-12-27-17-16(28)18(26-11-25-17)30-7-5-19(10-30)4-6-29(9-19)13-2-3-14(15(21)8-13)20(22,23)24/h2-3,8,11-12H,4-7,9-10H2,1H3/t19-/m1/s1","","2023-07-18","2024-07-19","6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine","2024-07-24"],["51B","(6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol","C19 H22 N6 O S","CNc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1;CNc1ncc(CN2CCC[CH](C2)c3nc(O)cc(n3)c4sccc4)cn1;CNc1ncc(cn1)CN2CCCC(C2)c3nc(cc(n3)O)c4cccs4","InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)/t14-/m0/s1","","2015-07-08","2023-02-21","(6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol","2015-10-07"],["F2W","6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium","C12 H18 N O2","COc1cc2CC[NH+](C)Cc2cc1OC;C[NH+]1CCc2cc(c(cc2C1)OC)OC","InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3/p+1","","2018-05-22","2018-06-01","6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium","2018-06-06"],["51C","(6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol","C14 H28 O6","OC1C(OCC(C(O)C1O)OCCCCCCC)CO;CCCCCCCO[CH]1CO[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCOC1COC(C(C(C1O)O)O)CO","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-19-11-9-20-10(8-15)12(16)14(18)13(11)17/h10-18H,2-9H2,1H3/t10-,11+,12-,13-,14+/m1/s1","","2015-07-09","2016-07-15","(6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol","2016-07-20"],["F2X","(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione","C11 H10 O3","C[CH]1CC(=O)c2c(O)cccc2C1=O;CC1CC(=O)c2c(cccc2O)C1=O","InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1","","2020-03-18","2024-09-27","(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione","2020-07-29"],["51D","3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile","C14 H7 Cl F N5","c1(c(cc(cc1Cl)C#N)c2ncnc(c2)n3cccn3)F;Fc1c(Cl)cc(cc1c2cc(ncn2)n3cccn3)C#N;c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N","InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H","","2015-07-09","2015-08-07","3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile","2015-08-12"],["51E","3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile","C16 H8 Cl F N4","c1c(cc(cc1Cl)C#N)c2ncnc(c2)c3ccc(cn3)F;Fc1ccc(nc1)c2cc(ncn2)c3cc(Cl)cc(c3)C#N;c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N","InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H","","2015-07-09","2015-08-07","3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile","2015-08-12"],["F2Y","3,5-difluoro-L-tyrosine","C9 H9 F2 N O3","Fc1cc(cc(F)c1O)CC(C(=O)O)N;N[CH](Cc1cc(F)c(O)c(F)c1)C(O)=O;c1c(cc(c(c1F)O)F)CC(C(=O)O)N","InChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1","","2012-10-25","2024-09-27","3,5-difluoro-L-tyrosine","2013-03-13"],["51F","2-(2-methyl-1H-imidazol-1-yl)ethanol","C6 H10 N2 O","OCCn1c(ncc1)C;Cc1nccn1CCO;Cc1nccn1CCO","InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3","","2015-07-09","2016-03-18","2-(2-methyl-1H-imidazol-1-yl)ethanol","2016-03-23"],["F2Z","6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one","C11 H13 N O3","COc1cc2CNC(=O)Cc2cc1OC;COc1cc2c(cc1OC)CNC(=O)C2","InChI=1S/C11H13NO3/c1-14-9-3-7-5-11(13)12-6-8(7)4-10(9)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)","","2018-05-22","2018-06-01","6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one","2018-06-06"],["51G","gentamicin C1","C21 H43 N5 O7","OC1C(NC)C(C)(O)COC1OC2C(CC(N)C(C2O)OC3OC(CCC3N)C(NC)C)N;CN[CH](C)[CH]1CC[CH](N)[CH](O1)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3OC[C](C)(O)[CH](NC)[CH]3O)[CH]2O;CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC","InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1","(1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydrox\nycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","2015-07-09","2020-06-17","(1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","2016-03-16"],["F30","3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide","C16 H11 Br N6 O","Brc1c[NH]c2ccc(cc21)C(=O)Nc1cccc(c1)c1nnn[NH]1;Brc1c[nH]c2ccc(cc12)C(=O)Nc3cccc(c3)c4[nH]nnn4;c1cc(cc(c1)NC(=O)c2ccc3c(c2)c(c[nH]3)Br)c4[nH]nnn4","InChI=1S/C16H11BrN6O/c17-13-8-18-14-5-4-10(7-12(13)14)16(24)19-11-3-1-2-9(6-11)15-20-22-23-21-15/h1-8,18H,(H,19,24)(H,20,21,22,23)","","2021-12-14","2022-07-01","3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide","2022-07-06"],["51H","adenylyl-2\"-tobramycin","C28 H49 N10 O15 P","O=P(OC1C(N)C(O)C(CO)OC1OC2C(CC(N)C(C2O)OC3OC(C(CC3N)O)CN)N)(O)OCC4C(O)C(C(O4)n5cnc6c5ncnc6N)O;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH]2O)[CH](N)C[CH]1O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(C(OC4OC5C(CC(C(C5O)OC6C(CC(C(O6)CN)O)N)N)N)CO)O)N)O)O)N","InChI=1S/C28H49N10O15P/c29-3-12-11(40)2-10(32)27(49-12)51-21-8(30)1-9(31)22(20(21)44)52-28-23(15(33)17(41)13(4-39)50-28)53-54(45,46)47-5-14-18(42)19(43)26(48-14)38-7-37-16-24(34)35-6-36-25(16)38/h6-15,17-23,26-28,39-44H,1-5,29-33H2,(H,45,46)(H2,34,35,36)/t8-,9+,10+,11-,12+,13+,14+,15-,17+,18+,19+,20-,21+,22-,23+,26+,27+,28+/m0/s1","(2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxytetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)","2015-07-09","2021-03-13","(2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxytetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)","2016-07-20"],["F31","1-(4-azanyl-3-methoxy-phenyl)ethanone","C9 H11 N O2","COc1cc(ccc1N)C(C)=O;CC(=O)c1ccc(c(c1)OC)N","InChI=1S/C9H11NO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,10H2,1-2H3","","2016-12-20","2017-04-14","1-(4-azanyl-3-methoxy-phenyl)ethanone","2017-04-19"],["51I","2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid","C14 H16 N2 O2 S","CCCc1ccc(Cc2sc(N)nc2C(O)=O)cc1;CCCc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O","InChI=1S/C14H16N2O2S/c1-2-3-9-4-6-10(7-5-9)8-11-12(13(17)18)16-14(15)19-11/h4-7H,2-3,8H2,1H3,(H2,15,16)(H,17,18)","","2023-01-09","2023-10-27","2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid","2023-11-01"],["F32","(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE","C25 H21 N5 O3 S2","O=C6NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)Nc4nc5ccccc5s4)C6;O=C1C[CH](c2ccc(C[CH](Nc3sc4ccccc4n3)c5[nH]c6ccccc6n5)cc2)[S](=O)(=O)N1;c1ccc2c(c1)[nH]c(n2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5","InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1","","2006-05-21","2011-06-04","(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide",""],["51J","2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID","C11 H12 N2 O6 S2","CC#CCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O;CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N","InChI=1S/C11H12N2O6S2/c1-2-3-6-13-21(18,19)10-7-8(20(12,16)17)4-5-9(10)11(14)15/h4-5,7,13H,6H2,1H3,(H,14,15)(H2,12,16,17)","","2015-03-10","2015-04-03","2-(but-2-ynylsulfamoyl)-4-sulfamoyl-benzoic acid","2015-04-08"],["F33","2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE","C17 H13 N3 O3","O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc2)N3;O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOC4=O;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O","InChI=1S/C17H13N3O3/c21-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,18,19,21)","","2013-06-24","2014-09-05","2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinazolin-4(3H)-one","2013-10-30"],["51K","2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole","C14 H9 F6 N5 O","FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nn(cn2)CCc3nnco3;FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(CCc3ocnn3)n2;c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3","InChI=1S/C14H9F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h3-7H,1-2H2","KPT-251","2012-08-23","2024-09-27","2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole","2012-08-31"],["F34","N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide","C8 H16 N2 O4","O=C(NC1CNCC(O)C(O)C1O)C;CC(=O)N[CH]1CNC[CH](O)[CH](O)[CH]1O;CC(=O)NC1CNCC(C(C1O)O)O","InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6+,7+,8+/m0/s1","","2008-12-17","2011-06-04","N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide",""],["F35","3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione","C18 H14 N4 O3","O=C1c4ccccc4N=C(N1)c2ccc(cc2)CN3C(=O)CNC3=O;O=C1CNC(=O)N1Cc2ccc(cc2)C3=Nc4ccccc4C(=O)N3;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O","InChI=1S/C18H14N4O3/c23-15-9-19-18(25)22(15)10-11-5-7-12(8-6-11)16-20-14-4-2-1-3-13(14)17(24)21-16/h1-8H,9-10H2,(H,19,25)(H,20,21,24)","","2013-06-24","2014-09-05","3-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzyl]imidazolidine-2,4-dione","2013-10-30"],["51M","(3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid","C25 H28 N2 O4 S","c1c(c3ccccc3c(c1)N2CC(CC2)C(O)=O)NS(c4c(C)c(C)cc(c4C)C)(=O)=O;Cc1cc(C)c(C)c(c1C)[S](=O)(=O)Nc2ccc(N3CC[CH](C3)C(O)=O)c4ccccc24;Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CCC(C4)C(=O)O)C)C","InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1","","2015-07-10","2015-10-16","(3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid","2015-10-21"],["F36","2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one","C16 H12 N2 O2","O=C(c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C;CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)15-17-14-5-3-2-4-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20)","","2013-06-20","2014-09-05","2-(4-acetylphenyl)quinazolin-4(3H)-one","2013-10-30"],["51N","5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose","C5 H13 O14 P3","C1(OP(O)(O)=O)OC(C(C1O)O)COP(OP(O)(O)=O)(=O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)O[P](O)(O)=O;C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C5H13O14P3/c6-3-2(1-16-22(14,15)19-21(11,12)13)17-5(4(3)7)18-20(8,9)10/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1","1'-ALPHA-PHOSPHORIBOSYL-5'-PYROPHOSPHORIC ACID;\n5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribose;\n5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-D-ribose;\n5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-ribose","2015-06-15","2020-07-17","5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose","2016-07-20"],["F37","(5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione","C18 H14 N4 O3","O=C1c4ccccc4N=C(N1)c2ccc(cc2)C3(C(=O)NC(=O)N3)C;C[C]1(NC(=O)NC1=O)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3;CC1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3","InChI=1S/C18H14N4O3/c1-18(16(24)21-17(25)22-18)11-8-6-10(7-9-11)14-19-13-5-3-2-4-12(13)15(23)20-14/h2-9H,1H3,(H,19,20,23)(H2,21,22,24,25)/t18-/m0/s1","","2013-06-24","2014-09-05","(5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione","2013-10-30"],["51O","Au(caffein-2-ylidene)2","C18 H24 Au N8 O4","O=C1N(c2c(C(N1C)=O)n(C)c([n+]2C)[Au+]c3n(c4c([n+]3C)N(C)C(=O)N(C)C4=O)C)C;CN1C(=O)N(C)c2c(n(C)c([Au+]c3n(C)c4C(=O)N(C)C(=O)N(C)c4[n+]3C)[n+]2C)C1=O;Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C","InChI=1S/2C9H12N4O2.Au/c2*1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3;/h2*1-4H3;/q3*+1","","2015-07-10","2016-03-11","bis(1,3,7,9-tetramethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)gold(1+)","2016-03-16"],["F38","[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide","C15 H13 N3 O3 S","O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3;N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N","InChI=1S/C15H13N3O3S/c16-22(20,21)9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)","","2013-06-24","2014-09-05","1-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methanesulfonamide","2013-10-30"],["51P","5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine","C16 H16 N4 O2","n1c(c2c(nc1N)occ2/C=C(c3ccccc3OC)C)N;COc1ccccc1C(C)=Cc2coc3nc(N)nc(N)c23;CC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC","InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-","","2008-05-23","2011-06-04","5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine",""],["51Q","(2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid","C6 H7 N3 O4 S","OC(=O)C(SC=1C(=O)NC(O)=NN=1)C;C[CH](SC1=NN=C(O)NC1=O)C(O)=O;CC(C(=O)O)SC1=NN=C(NC1=O)O","InChI=1S/C6H7N3O4S/c1-2(5(11)12)14-4-3(10)7-6(13)9-8-4/h2H,1H3,(H,11,12)(H2,7,9,10,13)/t2-/m0/s1","TyC5-03","2015-07-13","2020-06-17","(2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid","2016-10-19"],["F39","[(2R,3S,4S,5R,6R)-6-[(10E,12E,14E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate","C58 H86 O7","CCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc2c(C)ccc(C)c2C)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC(C)(C)CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)C)C)C)O)O)O","InChI=1S/C58H86O7/c1-12-13-14-15-16-17-18-19-20-36-53(59)63-42-52-54(60)55(61)56(62)57(64-52)65-58(10,11)41-26-35-46(5)33-24-32-45(4)31-23-29-43(2)27-21-22-28-44(3)30-25-34-47(6)37-40-51-49(8)39-38-48(7)50(51)9/h21-25,27-34,37-40,52,54-57,60-62H,12-20,26,35-36,41-42H2,1-11H3/b22-21?,29-23+,30-25?,32-24+,40-37+,43-27+,44-28?,45-31+,46-33?,47-34-/t52-,54-,55+,56-,57-/m1/s1","","2020-03-18","2020-11-20","[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(10~{E},12~{E},14~{E})-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate","2020-11-25"],["51R","3-(trifluoromethyl)aniline","C7 H6 F3 N","c1ccc(cc1C(F)(F)F)N;Nc1cccc(c1)C(F)(F)F;c1cc(cc(c1)N)C(F)(F)F","InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2","","2015-07-13","2016-07-29","3-(trifluoromethyl)aniline","2016-08-03"],["F3A","2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine","C11 H16 F2 N5 O11 P3","O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)C(F)(F)[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(C(F)(F)P(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C11H16F2N5O11P3/c12-11(13,31(22,23)29-32(24,25)26)30(20,21)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,20,21)(H,22,23)(H2,14,15,16)(H2,24,25,26)/t5-,6+,7+/m0/s1","","2011-09-07","2012-03-16","2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine",""],["F3B","1,3,5-trichloro-2,4,6-trifluorobenzene","C6 Cl3 F3","Clc1c(F)c(Cl)c(F)c(Cl)c1F;Fc1c(Cl)c(F)c(Cl)c(F)c1Cl;c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F","InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11","","2008-07-16","2011-06-04","1,3,5-trichloro-2,4,6-trifluorobenzene",""],["51S","2,4-dimethylaniline","C8 H11 N","c1(cc(C)c(cc1)N)C;Cc1ccc(N)c(C)c1;Cc1ccc(c(c1)C)N","InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3","","2015-07-13","2016-07-29","2,4-dimethylaniline","2016-08-03"],["F3C","2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","C10 H17 F N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(=O)(O)O)F)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O","InChI=1S/C10H17FN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9+/m0/s1","","2017-10-26","2018-06-15","2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","2018-06-20"],["51T","2,3,6-trifluoro-L-tyrosine","C9 H8 F3 N O3","NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O;N[CH](Cc1c(F)cc(O)c(F)c1F)C(O)=O;c1c(c(c(c(c1F)CC(C(=O)O)N)F)F)O","InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1","","2015-07-13","2024-09-27","2,3,6-trifluoro-L-tyrosine","2016-06-22"],["F3D","4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide","C31 H36 N4 O2","C(/C(c1ccccc1)=C(/c2ccc(cc2)OCCNCCCC(N(C)C)=O)c3ccc4nncc4c3)C;CCC(c1ccccc1)=C(c2ccc(OCCNCCCC(=O)N(C)C)cc2)c3ccc4[nH]ncc4c3;CCC(=C(c1ccc(cc1)OCCNCCCC(=O)N(C)C)c2ccc3c(c2)cn[nH]3)c4ccccc4","InChI=1S/C31H36N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-7,9-10,12-17,21-22,32H,4,8,11,18-20H2,1-3H3,(H,33,34)/b31-28+","","2018-02-26","2024-09-27","4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide","2018-03-21"],["51U","D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide","C22 H27 N3 O2","O=C(NCc1cccc(c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3;Cc1cccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)c1;Cc1cccc(c1)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N","InChI=1S/C22H27N3O2/c1-16-7-5-10-18(13-16)15-24-21(26)20-11-6-12-25(20)22(27)19(23)14-17-8-3-2-4-9-17/h2-5,7-10,13,19-20H,6,11-12,14-15,23H2,1H3,(H,24,26)/t19-,20+/m1/s1","","2007-12-18","2011-06-04","D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide",""],["51V","2-methylaniline","C7 H9 N","c1cc(C)c(cc1)N;Cc1ccccc1N;Cc1ccccc1N","InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3","o-Toluidine","2015-07-13","2021-03-01","2-methylaniline","2016-08-03"],["F3E","4-phenylpyrimidin-2-amine","C10 H9 N3","Nc1nccc(n1)c2ccccc2;c1ccc(cc1)c2ccnc(n2)N","InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)","","2018-05-24","2019-02-15","4-phenylpyrimidin-2-amine","2019-02-20"],["F3F","S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE","C16 H8 F3 N3 O2 S","FC(F)(F)c3nnc(SC(=O)c2oc(C#Cc1ccccc1)cc2)n3;FC(F)(F)c1[nH]c(SC(=O)c2oc(cc2)C#Cc3ccccc3)nn1;c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F","InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)","","2006-05-16","2011-06-04","S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate",""],["51W","N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide","C18 H24 I N7 O","N(c1ncc(c(NCCCN)n1)I)c3cc(NC(N2CCCC2)=O)ccc3;NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I;c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I","InChI=1S/C18H24IN7O/c19-15-12-22-17(25-16(15)21-8-4-7-20)23-13-5-3-6-14(11-13)24-18(27)26-9-1-2-10-26/h3,5-6,11-12H,1-2,4,7-10,20H2,(H,24,27)(H2,21,22,23,25)","","2015-07-13","2015-08-21","N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide","2015-08-26"],["F3H","1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol","C11 H16 F N2 O8 P","O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O;CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2COC(C(C2F)O)COP(=O)(O)O","InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8+,9-/m1/s1","1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate","2011-01-04","2020-06-17","1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol",""],["51X","(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid","C10 H7 N O4","C(=O)(CN2C(=O)c1ccccc1C2=O)O;OC(=O)CN1C(=O)c2ccccc2C1=O;c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O","InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)","","2015-07-14","2015-11-06","(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid","2015-11-11"],["F3I","(mi2-acetato-O, O')-hexaaquo-dirhodium (II)","C2 H10 O8 Rh2","CC(O[Rh+](O)(O)O)O[Rh+](O)(O)O;CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O","InChI=1S/C2H4O2.6H2O.2Rh/c1-2(3)4;;;;;;;;/h2H,1H3;6*1H2;;/q-2;;;;;;;2*+5/p-6","","2022-01-19","2022-08-22","tris(oxidanyl)-[1-[tris(oxidanyl)rhodiooxy]ethoxy]rhodium","2022-03-16"],["51Y","2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile","C14 H17 Cl N2 O","c1c(c(C)c(c(c1)C#N)Cl)NC2CCCC2(O)C;Cc1c(Cl)c(ccc1N[CH]2CCC[C]2(C)O)C#N;Cc1c(ccc(c1Cl)C#N)NC2CCCC2(C)O","InChI=1S/C14H17ClN2O/c1-9-11(6-5-10(8-16)13(9)15)17-12-4-3-7-14(12,2)18/h5-6,12,17-18H,3-4,7H2,1-2H3/t12-,14-/m1/s1","","2015-07-14","2015-12-31","2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile","2016-01-05"],["520","4'-(4-aminobenzoyl)biphenyl-4-sulfonamide","C19 H16 N2 O3 S","c1c(ccc(c1)N)C(c2ccc(cc2)c3ccc(S(=O)(=O)N)cc3)=O;Nc1ccc(cc1)C(=O)c2ccc(cc2)c3ccc(cc3)[S](N)(=O)=O;c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N","InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)","","2015-07-15","2015-10-30","4'-(4-aminobenzoyl)biphenyl-4-sulfonamide","2015-11-04"],["F3J","11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C34 H42 N8 O3","C1C(CCN(C1)C(=O)c2ccc(c(c2)OC)Nc3nc5c(cn3)N(C(=O)c4c(cccc4)N5C6CCC6)C)N7CCN(C)CC7;COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7;CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7","InChI=1S/C34H42N8O3/c1-38-17-19-40(20-18-38)24-13-15-41(16-14-24)32(43)23-11-12-27(30(21-23)45-3)36-34-35-22-29-31(37-34)42(25-7-6-8-25)28-10-5-4-9-26(28)33(44)39(29)2/h4-5,9-12,21-22,24-25H,6-8,13-20H2,1-3H3,(H,35,36,37)","","2018-02-26","2018-08-24","11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2018-08-29"],["F3K","Ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine)","C38 H21 Br N12 Ru","Brc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1;c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br","InChI=1S/C18H9BrN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;/q;;;+6","","2018-05-24","2019-06-14","","2019-06-19"],["521","5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE","C12 H9 Cl N2 O3 S2","O=C3NS(=O)(=O)N(c1c(Cl)c(sc1)c2ccccc2)C3;Clc1c(scc1N2CC(=O)N[S]2(=O)=O)c3ccccc3;c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl","InChI=1S/C12H9ClN2O3S2/c13-11-9(15-6-10(16)14-20(15,17)18)7-19-12(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,16)","","2006-11-09","2011-06-04","5-(4-chloro-5-phenylthiophen-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide",""],["F3L","4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile","C17 H16 Cl F N4 O4 S","NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3;c1cc(c(cc1OC2CN(CC2(CN)O)S(=O)(=O)c3ccc(cn3)Cl)F)C#N","InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1","4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile; CHEMBL4550510","2023-06-27","2024-05-03","4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile","2024-05-08"],["522","Peroxidized Heme","C34 H34 Fe N4 O6","O=C(O)CCC=2C1=CC8=N7[Fe]53N1C(C=2C)=CC4=N3C(C(=C4C)C(OO)C)=Cc6n5c(c(c6C)[C@H]=C)C=C7C(C)=C8CCC(=O)O;C[CH](OO)C1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(C)OO)C)CCC(=O)O)C","InChI=1S/C34H36N4O6.Fe/c1-7-21-16(2)26-14-31-34(20(6)44-43)19(5)27(38-31)12-24-17(3)22(8-10-32(39)40)29(36-24)15-30-23(9-11-33(41)42)18(4)25(37-30)13-28(21)35-26;/h7,12-15,20H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-12-,25-13-,26-14-,27-12-,28-13-,29-15-,30-15-,31-14-;/t20-;/m0./s1","","2015-07-15","2015-08-28","{3,3'-[7-ethenyl-12-(1-hydroperoxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron","2015-09-02"],["F3M","methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate","C6 H10 F3 N O3","O=C(OC)CC(O)C(N)C(F)(F)F;COC(=O)C[CH](O)[CH](N)C(F)(F)F;COC(=O)CC(C(C(F)(F)F)N)O","InChI=1S/C6H10F3NO3/c1-13-4(12)2-3(11)5(10)6(7,8)9/h3,5,11H,2,10H2,1H3/t3-,5+/m0/s1","","2009-07-09","2012-01-13","methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate",""],["523","2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)","C10 H19 N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([N+]=1C(=O)NC(N)=C(C=1)C)CC2O;CC1=C(N)NC(=O)[N+](=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;CC1=C(NC(=O)[N+](=C1)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H6,11,12,15,16,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1","5-METHYL-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE","2007-01-22","2024-09-27","2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)",""],["524","(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH\nEXYL)BUTANAMIDE","C22 H31 F N6 O2","FC4CCN(C(=O)C(N)C(C(=O)N(C)C)C3CCC(c1cccc2ncnn12)CC3)C4;CN(C)C(=O)[CH]([CH](N)C(=O)N1CC[CH](F)C1)[CH]2CC[CH](CC2)c3cccc4ncnn34;CN(C)C(=O)C(C1CCC(CC1)c2cccc3n2ncn3)C(C(=O)N4CCC(C4)F)N","InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1","5-(4-{(1S,2S)-2-AMMONIO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIA\nZOLO[1,5-A]PYRIDIN-1-IUM","2007-09-05","2020-06-17","(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcyclohexyl)butanamide",""],["F3N","3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)","C19 H24 N7 O7 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4NC(=O)C(N)Cc3ccccc3;N[CH](Cc1ccccc1)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34;c1ccc(cc1)CC(C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N","InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12+,13+,15+,19+/m0/s1","","2014-05-18","2014-08-15","3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)","2014-08-20"],["F3O","3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)","C19 H23 N6 O8 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)C(N)Cc3ccccc3;N[CH](Cc1ccccc1)C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34;c1ccc(cc1)CC(C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N","InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(27)33-15-12(7-31-34(28,29)30)32-18(14(15)26)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26H,6-7,20H2,(H2,21,22,23)(H2,28,29,30)/t11-,12+,14+,15+,18+/m0/s1","","2014-07-01","2023-09-18","3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)","2014-10-01"],["525","(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C28 H37 F N2 O6 S","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN4CC(Cc3c(ccc(F)c3)S4(=O)=O)C(C)(C)C;CC(C)(C)[CH]1CN(C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCOC3)[S](=O)(=O)c4ccc(F)cc4C1;CC(C)(C)C1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)OC4CCOC4)O)F","InChI=1S/C28H37FN2O6S/c1-28(2,3)21-14-20-15-22(29)9-10-26(20)38(34,35)31(16-21)17-25(32)24(13-19-7-5-4-6-8-19)30-27(33)37-23-11-12-36-18-23/h4-10,15,21,23-25,32H,11-14,16-18H2,1-3H3,(H,30,33)/t21-,23-,24-,25+/m0/s1","","2013-08-26","2014-03-28","(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2014-04-02"],["F3P","(3S)-2-fluoro-3,7-dimethylocta-1,6-dien-3-yl trihydrogen diphosphate","C10 H19 F O7 P2","O=P(O)(O)OP(O)(=O)OC(C)(CCC=C(/C)C)C(=C)F;CC(C)=CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)C(F)=C;CC(=CCCC(C)(C(=C)F)OP(=O)(O)OP(=O)(O)O)C","InChI=1S/C10H19FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h6H,3,5,7H2,1-2,4H3,(H,15,16)(H2,12,13,14)/t10-/m0/s1","2-FLUOROLINALYL DIPHOSPHATE","2007-01-24","2025-09-23","(3S)-2-fluoro-3,7-dimethylocta-1,6-dien-3-yl trihydrogen diphosphate",""],["526","(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C28 H37 F N2 O6 S","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN4CC(Cc3c(ccc(F)c3)S4(=O)=O)C(C)(C)C;CC(C)(C)[CH]1CN(C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCOC3)[S](=O)(=O)c4ccc(F)cc4C1;CC(C)(C)C1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)OC4CCOC4)O)F","InChI=1S/C28H37FN2O6S/c1-28(2,3)21-14-20-15-22(29)9-10-26(20)38(34,35)31(16-21)17-25(32)24(13-19-7-5-4-6-8-19)30-27(33)37-23-11-12-36-18-23/h4-10,15,21,23-25,32H,11-14,16-18H2,1-3H3,(H,30,33)/t21-,23+,24+,25-/m1/s1","","2013-08-26","2014-03-28","(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2014-04-02"],["527","5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID","C25 H25 Br N2 O7 S2","O=S(=O)(N3CCC(Nc1cccc(c1)c2sc(c(OCC(=O)O)c2Br)C(=O)O)CC3)Cc4ccccc4;OC(=O)COc1c(Br)c(sc1C(O)=O)c2cccc(NC3CCN(CC3)[S](=O)(=O)Cc4ccccc4)c2;c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br","InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)","","2006-06-20","2011-06-04","5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid",""],["F3Q","~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide","C43 H42 N4 O6","Oc1ccc(cc1)N(C(=O)c2cc(n3CCCCc23)c4cc5OCOc5cc4C(=O)N6Cc7ccccc7C[CH]6CN8CCOCC8)c9ccccc9;c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8CC7CN9CCOCC9)OCO6","InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1","","2018-05-24","2018-11-02","~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide","2018-11-07"],["528","(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID","C23 H33 N2 O6 P S","O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCCc2ccccc2;CC(C)[CH](N[S](=O)(=O)CCCc1ccccc1)[P](O)(=O)C[CH](C(O)=O)c2cccc(CN)c2;CC(C)C(NS(=O)(=O)CCCc1ccccc1)P(=O)(CC(c2cccc(c2)CN)C(=O)O)O","InChI=1S/C23H33N2O6PS/c1-17(2)22(25-33(30,31)13-7-11-18-8-4-3-5-9-18)32(28,29)16-21(23(26)27)20-12-6-10-19(14-20)15-24/h3-6,8-10,12,14,17,21-22,25H,7,11,13,15-16,24H2,1-2H3,(H,26,27)(H,28,29)/t21-,22+/m0/s1","","2007-04-20","2011-06-04","(2S)-2-[3-(aminomethyl)phenyl]-3-{(R)-hydroxy[(1R)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid",""],["F3R","N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide","C12 H20 N6 O2","O=C(Nc1nnn[NH]1)C(C)NC(=O)CC1CCCCC1;C[CH](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2;CC(C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2","InChI=1S/C12H20N6O2/c1-8(11(20)14-12-15-17-18-16-12)13-10(19)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,19)(H2,14,15,16,17,18,20)/t8-/m0/s1","","2021-12-14","2022-07-01","N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide","2022-07-06"],["F3S","FE3-S4 CLUSTER","Fe3 S4","S1[Fe]S[Fe]2S[Fe]1S2;S1[Fe]2S[Fe]3[S]2[Fe]1S3","InChI=1S/3Fe.4S","","1999-07-08","2023-09-23","",""],["529","(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE","C18 H19 N5 O2","O=C1NCCN1c2ccc(cc2)C(C(=O)/N=C3/N=NC(=C3)C4CC4)C;C[CH](C(=O)N=C1C=C(N=N1)C2CC2)c3ccc(cc3)N4CCNC4=O;CC(c1ccc(cc1)N2CCNC2=O)C(=O)N=C3C=C(N=N3)C4CC4","InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)/b20-16+/t11-/m0/s1","","2005-04-21","2012-01-05","(2S)-N-[(3E)-5-cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide",""],["52A","(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid","C6 H10 N2 O4","O=C(O)C1(N)CC(C(=O)O)NC1;N[C]1(CN[CH](C1)C(O)=O)C(O)=O;C1C(NCC1(C(=O)O)N)C(=O)O","InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1","2R,4R-APDC","2007-07-16","2020-06-17","(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid",""],["F3T","4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid","C5 H8 F3 N O3","FC(F)(F)C(N)C(O)CC(=O)O;N[CH]([CH](O)CC(O)=O)C(F)(F)F;C(C(C(C(F)(F)F)N)O)C(=O)O","InChI=1S/C5H8F3NO3/c6-5(7,8)4(9)2(10)1-3(11)12/h2,4,10H,1,9H2,(H,11,12)/t2-,4+/m0/s1","","2009-07-09","2012-01-13","4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid",""],["F3U","4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid","C21 H12 O6","OC(=O)c1ccc(C=O)cc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24;c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O","InChI=1S/C21H12O6/c22-10-11-1-4-14(21(25)26)17(7-11)20-15-5-2-12(23)8-18(15)27-19-9-13(24)3-6-16(19)20/h1-10,23H,(H,25,26)","","2022-01-19","2024-09-27","4-methanoyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid","2023-02-01"],["52B","(2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid","C11 H5 Cl2 F3 O3","OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[CH]1C(F)(F)F;c1c(cc(c2c1C=C(C(O2)C(F)(F)F)C(=O)O)Cl)Cl","InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)/t9-/m0/s1","","2010-02-22","2011-06-04","(2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid",""],["52C","5-(2-CHLOROPHENYL)-1H-TETRAZOLE","C7 H5 Cl N4","Clc1ccccc1c2nnnn2;Clc1ccccc1c2[nH]nnn2;c1ccc(c(c1)c2[nH]nnn2)Cl","InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)","","2012-02-15","2014-09-05","5-(2-chlorophenyl)-1H-tetrazole",""],["F3V","1-aminopropan-2-one","C3 H7 N O","NCC(=O)C;CC(=O)CN;CC(=O)CN","InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3","","2018-02-26","2024-09-27","1-aminopropan-2-one","2018-05-30"],["F3W","(~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile","C23 H21 N5","N#CC=Cc1cccc(c1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5;c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C=CC#N","InChI=1S/C23H21N5/c24-12-5-7-16-6-4-8-17(14-16)23-27-20-15-26-22-19(11-13-25-22)21(20)28(23)18-9-2-1-3-10-18/h4-8,11,13-15,18H,1-3,9-10H2,(H,25,26)/b7-5+","","2018-05-24","2018-06-22","(~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile","2018-06-27"],["52D","pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone","C18 H20 N2 O2","O=C(c1ccncc1)c3ccc(OCCN2CCCC2)cc3;O=C(c1ccncc1)c2ccc(OCCN3CCCC3)cc2;c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3","InChI=1S/C18H20N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2","","2009-01-20","2011-06-04","pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone",""],["F3Y","~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide","C20 H26 N2 O2","CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1;CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC","InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23)","","2023-07-18","2024-09-27","~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide","2023-12-13"],["52E","4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol","C24 H26 Cl F N4 O5","N(C(N(C(CC(CO)O)COC(Nc1ncc2c(c1)cccc2)=O)C)=O)Cc3c(c(ccc3)F)Cl;CN([CH](COC(=O)Nc1cc2ccccc2cn1)C[CH](O)CO)C(=O)NCc3cccc(F)c3Cl;CN(C(CC(CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F","InChI=1S/C24H26ClFN4O5/c1-30(23(33)28-12-17-7-4-8-20(26)22(17)25)18(10-19(32)13-31)14-35-24(34)29-21-9-15-5-2-3-6-16(15)11-27-21/h2-9,11,18-19,31-32H,10,12-14H2,1H3,(H,28,33)(H,27,29,34)/t18-,19+/m0/s1","","2015-07-15","2016-11-11","4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol","2016-11-16"],["F3Z","(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide","C33 H33 N9 O2","O=C(CN1CC[CH](C1)C(=O)Nc2ccc3[nH]nc(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7;c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CCC(C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7","InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1","","2018-05-24","2018-05-25","(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide","2018-05-30"],["52F","3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid","C11 H10 N2 O3","c2ccc1NC(=O)C(CCC(O)=O)=Nc1c2;OC(=O)CCC1=Nc2ccccc2NC1=O;c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O","InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)","","2015-07-15","2016-08-05","3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid","2016-08-10"],["52G","Zorbamycin","C55 H85 N19 O21 S2","O=C(C(CNC(CC(=O)N)c1nc(c(c(N)n1)C)C(=O)NC(C(OC3C(OC2C(C(OC(N)=O)C(O)C(CO)O2)O)C(O)C(O)C(C)O3)c4ncnc4)C(=O)NC(CCO)C(O)C(C)C(=O)NC(C(C)(C)O)C(=O)NCCC5=NC(CS5)c6nc(cs6)C(=O)NCCC(=N)N)N)N;C[CH]1O[CH](O[CH]([CH](NC(=O)c2nc(nc(N)c2C)[CH](CC(N)=O)NC[CH](N)C(N)=O)C(=O)N[CH](CCO)[CH](O)[CH](C)C(=O)N[CH](C(=O)NCCC3=N[CH](CS3)c4scc(n4)C(=O)NCCC(N)=N)C(C)(C)O)c5c[nH]cn5)[CH](O[CH]6O[CH](CO)[CH](O)[CH](OC(N)=O)[CH]6O)[CH](O)[CH]1O;Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3C(C(C(C(O3)C)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(CCO)C(C(C)C(=O)NC(C(=O)NCCC5=NC(CS5)c6nc(cs6)C(=O)NCCC(=N)N)C(C)(C)O)O","InChI=1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1","(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(3R,4S,5S)-6-{[(2S)-1-({2-[(4'R)-4-{[(3E)-3-amino-3-iminopropyl]carbamoyl}-4',5'-dihydro-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-3-methyl-1-oxobutan-2-yl]amino}-1,4-dihydroxy-5-methyl-6-oxohexan-3-yl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)","2015-07-15","2021-03-13","(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(3R,4S,5S)-6-{[(2S)-1-({2-[(4'R)-4-{[(3E)-3-amino-3-iminopropyl]carbamoyl}-4',5'-dihydro-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-3-methyl-1-oxobutan-2-yl]amino}-1,4-dihydroxy-5-methyl-6-oxohexan-3-yl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)","2015-07-22"],["F40","2-phenyl-3H-quinazolin-4-one","C14 H10 N2 O","O=C2c3ccccc3N=C(c1ccccc1)N2;O=C1NC(=Nc2ccccc12)c3ccccc3;c1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)","","2013-06-20","2014-09-05","2-phenylquinazolin-4(3H)-one","2013-10-30"],["52H","5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine","C16 H24 N6 O8 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(O)C(C)(C)C;CC(C)(C)[CH](O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,11+,15-/m1/s1","5'-O-(3,3-Dimethyl-2-hydroxybutyrylsulfamoyl) adenosine","2008-03-31","2021-03-13","5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine",""],["F41","N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide","C14 H18 N2 O3","O=C(Nc1ccc2OCOc2c1)CN3CCCCC3;O=C(CN1CCCCC1)Nc2ccc3OCOc3c2;c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2","InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)","","2010-11-15","2011-10-21","N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide",""],["52I","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2\n-en-1-one","C28 H32 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4CC(C)C;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3CC(C)C)c1OC;CC(C)CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N","InChI=1S/C28H32N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-10,12,14-17,23H,11,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m1/s1","(R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isobutylphthalazin-2(1H)-yl)prop-2-en-1-one","2012-04-17","2020-06-17","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["F42","COENZYME F420","C29 H36 N5 O18 P","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)C(OP(=O)(O)OCC(O)C(O)C(O)CN3c1c(ccc(O)c1)C=C2C3=NC(=O)NC2=O)C)CCC(=O)O;C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O","InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1","","2001-06-20","2012-01-05","(3S,8S,11S,13R,16R,17S,18S)-13,16,17,18-tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxylic acid 13-oxide (non-preferred name)",""],["F43","FACTOR 430","C42 H51 N6 Ni O13","C[C]1(CC(N)=O)[CH](CCC(O)=O)[CH]2C[C]34NC(=O)C[C]3(C)[CH](CCC(O)=O)C5=N4|[Ni+]|67|N2=C1C[CH]8N|6=C9[CH](CCC(=O)C9=C%10[CH](CCC(O)=O)[CH](CC(O)=O)C(=C5)[N]7%10)[CH]8CC(O)=O;CC12CC(=O)NC13CC4C(C(C5=[N]4[Ni+]67[N]3=C(C2CCC(=O)O)C=C8N6C(=C9C(=O)CCC1C9=[N]7C(C5)C1CC(=O)O)C(C8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O","InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-1/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1","","1999-07-08","2017-02-07","",""],["52J","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one","C28 H32 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4CC(C)C;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3CC(C)C)c1OC;CC(C)CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N","InChI=1S/C28H32N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-10,12,14-17,23H,11,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m0/s1","(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isobutylphthalazin-2(1H)-yl)prop-2-en-1-one","2012-04-17","2021-03-13","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["52K","N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide","C17 H17 Cl N4 O2","C3C(C)(c1cccc(c1)NC(=O)c2ncc(cc2)Cl)N=C(CO3)N;C[C]1(COCC(=N1)N)c2cccc(NC(=O)c3ccc(Cl)cn3)c2;CC1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl","InChI=1S/C17H17ClN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1","","2015-07-16","2015-09-25","N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide","2015-09-30"],["F44","2,2'-(propane-1,3-diyl)dipyridine","C13 H14 N2","c1cccnc1CCCc2ccccn2;C(Cc1ccccn1)Cc2ccccn2;c1ccnc(c1)CCCc2ccccn2","InChI=1S/C13H14N2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h1-4,6-7,10-11H,5,8-9H2","","2018-02-27","2018-12-28","2,2'-(propane-1,3-diyl)dipyridine","2019-01-02"],["F45","[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone","C18 H12 F N O4","Fc1ccc(cc1O)C(c2nc(ccc2)c3ccc(c(c3)O)O)=O;Oc1ccc(cc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3;c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O","InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H","","2016-02-23","2016-07-08","[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone","2016-07-13"],["52L","DAHP Oxime","C7 H14 N O10 P","N(/O)=C(C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O;ON=C(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O;C(C(C(C(COP(=O)(O)O)O)O)O)C(=NO)C(=O)O","InChI=1S/C7H14NO10P/c9-4(1-3(8-14)7(12)13)6(11)5(10)2-18-19(15,16)17/h4-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/b8-3+/t4-,5-,6+/m1/s1","(2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid","2015-07-16","2020-06-17","(2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid","2016-08-10"],["F46","N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide","C33 H30 F N3 O5","Fc2ccc(cc2NC(=O)c1ccccc1)Nc5ccc6C(=O)c4cc(OCCN3CCOCC3)ccc4COc6c5;Fc1ccc(Nc2ccc3C(=O)c4cc(OCCN5CCOCC5)ccc4COc3c2)cc1NC(=O)c6ccccc6;c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6","InChI=1S/C33H30FN3O5/c34-29-11-8-24(18-30(29)36-33(39)22-4-2-1-3-5-22)35-25-7-10-27-31(19-25)42-21-23-6-9-26(20-28(23)32(27)38)41-17-14-37-12-15-40-16-13-37/h1-11,18-20,35H,12-17,21H2,(H,36,39)","","2011-12-15","2013-10-25","N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide","2013-10-30"],["52M","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid","C21 H13 N O6 S","SC(=O)Nc1cc(C(O)=O)c(cc1)C3=C2C=CC(C=C2Oc4c3ccc(c4)O)=O;OC(=O)c1cc(NC(S)=O)ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24;c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O","InChI=1S/C21H13NO6S/c23-11-2-5-14-17(8-11)28-18-9-12(24)3-6-15(18)19(14)13-4-1-10(22-21(27)29)7-16(13)20(25)26/h1-9,23H,(H,25,26)(H2,22,27,29)","","2015-07-16","2015-07-31","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid","2015-08-05"],["52N","1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate","C25 H49 O19 P3","O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC","InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20+,21-,22+,23-,24-,25+/m1/s1","","2014-01-16","2014-04-11","(2R)-3-{[(S)-hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate","2014-04-16"],["F47","4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol","C17 H12 F N5 O","Fc4ccc(c1nn2c(nnc2nc1)Cc3ccc(O)cc3)cc4;Oc1ccc(Cc2nnc3ncc(nn23)c4ccc(F)cc4)cc1;c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O","InChI=1S/C17H12FN5O/c18-13-5-3-12(4-6-13)15-10-19-17-21-20-16(23(17)22-15)9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2","","2012-03-30","2014-09-05","4-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl}phenol","2012-09-21"],["52O","pivalyl-coenzyme A","C26 H44 N7 O17 P3 S","OC3C(n1c2c(nc1)c(N)ncn2)OC(COP(OP(OCC(C)(C(O)C(NCCC(NCCSC(C(C)(C)C)=O)=O)=O)C)(=O)O)(O)=O)C3OP(O)(=O)O;CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H44N7O17P3S/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,17-,18-,19+,23-/m1/s1","","2015-07-16","2015-09-04","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2,2-dimethylpropanethioate (non-preferred name)","2015-09-09"],["F48","3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile","C21 H21 N5 O","N#CCCc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5;c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4","InChI=1S/C21H21N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h8-10,12-14H,1-7H2,(H,23,24)","","2018-05-24","2018-06-22","3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile","2018-06-27"],["F49","[2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid","C14 H10 Br4 N2 O5","Brc1c(OC)c(c(Br)c(Br)c1Br)CN2C(=O)C=CN(C2=O)CC(=O)O;COc1c(Br)c(Br)c(Br)c(Br)c1CN2C(=O)C=CN(CC(O)=O)C2=O;COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O","InChI=1S/C14H10Br4N2O5/c1-25-13-6(9(15)10(16)11(17)12(13)18)4-20-7(21)2-3-19(14(20)24)5-8(22)23/h2-3H,4-5H2,1H3,(H,22,23)","","2015-02-04","2015-11-13","[2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid","2015-11-18"],["52P","5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one","C19 H9 Cl2 F2 N3 O S","Fc4ccc(SC1=NN2C(C=C1)=C(C(=O)N=C2)c3c(Cl)cccc3Cl)c(F)c4;Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1;c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl","InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H","","2008-11-26","2011-06-04","5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one",""],["52Q","(1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid","C10 H12 N4 O4 S","C12C(C1C(CC2Sc3nncn3)(C(O)=O)N)C(O)=O;N[C]1(C[CH](Sc2n[nH]cn2)[CH]3[CH]([CH]13)C(O)=O)C(O)=O;c1[nH]nc(n1)SC2CC(C3C2C3C(=O)O)(C(=O)O)N","InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4+,5+,6+,10+/m1/s1","","2015-07-17","2015-09-04","(1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid","2015-09-09"],["F4A","4-[(9H-purin-6-yl)amino]benzamide","C12 H10 N6 O","O=C(N)c1ccc(cc1)Nc2ncnc3c2ncn3;NC(=O)c1ccc(Nc2ncnc3[nH]cnc23)cc1;c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2","InChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)","","2018-02-27","2018-05-04","4-[(9H-purin-6-yl)amino]benzamide","2018-05-09"],["F4B","(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile","C21 H19 N5 O","N#CC=Cc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5;c1cc(oc1C=CC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4","InChI=1S/C21H19N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h4,7-10,12-14H,1-3,5-6H2,(H,23,24)/b7-4+","","2018-05-24","2018-06-22","(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile","2018-06-27"],["52R","N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine","C19 H19 F N8 O","Cn1ccc(n1)N(C)c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25;Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F","InChI=1S/C19H19FN8O/c1-26-7-5-17(25-26)27(2)15-10-22-19(28-11-23-24-18(15)28)21-9-13-12-6-8-29-16(12)4-3-14(13)20/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,21,22)","","2021-07-07","2021-12-03","~{N}5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-~{N}8-methyl-~{N}8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine","2021-12-08"],["52T","(4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate","C19 H26 N4 O4","C(n2c1c(C(OC(NC(C)C)=O)CCC1(O)C)nn2)c3ccc(cc3)OC;COc1ccc(Cn2nnc3[CH](CC[C](C)(O)c23)OC(=O)NC(C)C)cc1;CC(C)NC(=O)OC1CCC(c2c1nnn2Cc3ccc(cc3)OC)(C)O","InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19-/m1/s1","","2015-07-20","2024-09-27","(4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate","2016-01-13"],["F4C","2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide","C24 H16 F4 N4 O2","FC(F)(F)c1ccccc1CNC(=O)C=2C(=O)N(N=C(C=2)c3ccncc3)c4ccc(F)cc4;Fc1ccc(cc1)N2N=C(C=C(C(=O)NCc3ccccc3C(F)(F)F)C2=O)c4ccncc4;c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F","InChI=1S/C24H16F4N4O2/c25-17-5-7-18(8-6-17)32-23(34)19(13-21(31-32)15-9-11-29-12-10-15)22(33)30-14-16-3-1-2-4-20(16)24(26,27)28/h1-13H,14H2,(H,30,33)","","2009-10-05","2011-06-04","2-(4-fluorophenyl)-3-oxo-6-(pyridin-4-yl)-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide",""],["F4D","4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide","C25 H21 F N6 O4 S","Fc1ccc(cc1)S(=O)(=O)Nc4ccc(Oc2ccc(C(=[N@H])N)cc2)nc4Oc3ccc(C(=[N@H])N)cc3;NC(=N)c1ccc(Oc2ccc(N[S](=O)(=O)c3ccc(F)cc3)c(Oc4ccc(cc4)C(N)=N)n2)cc1;c1cc(ccc1C(=N)N)Oc2ccc(c(n2)Oc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccc(cc4)F","InChI=1S/C25H21FN6O4S/c26-17-5-11-20(12-6-17)37(33,34)32-21-13-14-22(35-18-7-1-15(2-8-18)23(27)28)31-25(21)36-19-9-3-16(4-10-19)24(29)30/h1-14,32H,(H3,27,28)(H3,29,30)","","2013-09-08","2014-02-21","4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide","2014-02-26"],["52U","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl\n[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C29 H40 N2 O8 S","c4cc(S(N(CC(O)C(NC(OC2C1C(OCC1)OCC2)=O)Cc3ccccc3)CC(C)C)(=O)=O)ccc4OC;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCO[CH]4OCC[CH]34;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H40N2O8S/c1-20(2)18-31(40(34,35)23-11-9-22(36-3)10-12-23)19-26(32)25(17-21-7-5-4-6-8-21)30-29(33)39-27-14-16-38-28-24(27)13-15-37-28/h4-12,20,24-28,32H,13-19H2,1-3H3,(H,30,33)/t24-,25-,26+,27-,28+/m0/s1","GRL-0476","2015-07-20","2020-06-17","(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2016-01-13"],["52V","5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C24 H26 N4 O","C(#CC(c2cc(c1c(cccc1C)C)cc(OC)c2)C)c3c(nc(nc3C)N)N;COc1cc(cc(c1)c2c(C)cccc2C)[CH](C)C#Cc3c(C)nc(N)nc3N;Cc1cccc(c1c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C)C","InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/m1/s1","","2008-10-31","2011-06-04","5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["F4E","methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate","C8 H7 N O3","COC(=O)c1[nH]c2ccoc2c1;COC(=O)c1cc2c([nH]1)cco2","InChI=1S/C8H7NO3/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3","","2018-05-28","2018-08-03","methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate","2018-08-08"],["52W","(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C29 H40 N2 O9 S","N(CC(C)C)(S(c1ccc(OC)cc1)(=O)=O)CC(C(Cc2ccccc2)NC(OC4C3C(COC3OCC4)O)=O)O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCO[CH]4OC[CH](O)[CH]34;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOC3C2C(CO3)O)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H40N2O9S/c1-19(2)16-31(41(35,36)22-11-9-21(37-3)10-12-22)17-24(32)23(15-20-7-5-4-6-8-20)30-29(34)40-26-13-14-38-28-27(26)25(33)18-39-28/h4-12,19,23-28,32-33H,13-18H2,1-3H3,(H,30,34)/t23-,24+,25-,26-,27-,28-/m0/s1","GRL-015","2015-07-20","2021-03-01","(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2016-01-13"],["F4F","(5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid","C15 H22 O5","CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O;CC(C)C1CCC(C2C1C=C(COC2=O)C(=O)O)(C)O","InChI=1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1","","2020-03-23","2024-09-27","(5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid","2020-12-30"],["52X","methyl {3-[2-(acetylamino)ethyl]-2-iodo-1H-indol-5-yl}carbamate","C14 H16 I N3 O3","O=C(OC)Nc1cc2c(cc1)nc(I)c2CCNC(=O)C;COC(=O)Nc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1;CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC","InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)","","2010-09-20","2011-06-04","methyl {3-[2-(acetylamino)ethyl]-2-iodo-1H-indol-5-yl}carbamate",""],["F4G","3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide","C13 H10 N4 O","O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3;NC(=O)c1cccn2c(cnc12)c3cccnc3;c1cc(cnc1)c2cnc3n2cccc3C(=O)N","InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)","","2018-02-27","2018-05-04","3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide","2018-05-09"],["F4H","1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol","C11 H16 F N2 O8 P","O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O;CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2COC(C(C2F)O)COP(=O)(O)O","InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,9-/m1/s1","","2011-06-14","2012-08-24","1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol","2012-08-24"],["52Y","methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate","C20 H15 F N2 O4 S","COc3ccc(c1ccc(c(c1)F)N2/C(SCC2=O)=C(/C(=O)OC)C#N)cc3;COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(cc2F)c3ccc(OC)cc3;COc1ccc(cc1)c2ccc(c(c2)F)N3C(=O)CSC3=C(C#N)C(=O)OC","InChI=1S/C20H15FN2O4S/c1-26-14-6-3-12(4-7-14)13-5-8-17(16(21)9-13)23-18(24)11-28-19(23)15(10-22)20(25)27-2/h3-9H,11H2,1-2H3/b19-15-","","2015-03-11","2016-03-04","methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate","2016-03-09"],["F4I","(2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid","C24 H29 N4 O15 P","O=C(O)C(CCC(=O)O)NC(=O)C(C)OP(=O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2C=C2C=CC(=O)C=C21;C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1C2=C(C=C3C=CC(=O)C=C13)C(=O)NC(=O)N2)C(=O)N[CH](CCC(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O","InChI=1S/C24H29N4O15P/c1-10(21(35)25-14(23(37)38)4-5-18(32)33)43-44(40,41)42-9-17(31)19(34)16(30)8-28-15-7-12(29)3-2-11(15)6-13-20(28)26-24(39)27-22(13)36/h2-3,6-7,10,14,16-17,19,30-31,34H,4-5,8-9H2,1H3,(H,25,35)(H,32,33)(H,37,38)(H,40,41)(H2,26,27,36,39)/t10-,14-,16-,17+,19-/m0/s1","Coeznyme F420-1","2020-02-19","2023-04-07","(2S)-2-[(2S)-2-{[(R)-hydroxy({(2R,3S,4S)-2,3,4-trihydroxy-5-[(5aP)-2,4,8-trioxo-1,3,4,8-tetrahydropyrimido[4,5-b]quinolin-10(2H)-yl]pentyl}oxy)phosphoryl]oxy}propanamido]pentanedioic acid (non-preferred name)","2023-04-12"],["52Z","(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl\n[(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","C30 H42 N2 O10 S","c1cc(ccc1S(=O)(N(CC(C(Cc2ccc(cc2)OC)NC(OC3C4C(O)COC4OCC3)=O)O)CC(C)C)=O)OC;COc1ccc(C[CH](NC(=O)O[CH]2CCO[CH]3OC[CH](O)[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)cc1;CC(C)CN(CC(C(Cc1ccc(cc1)OC)NC(=O)OC2CCOC3C2C(CO3)O)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C30H42N2O10S/c1-19(2)16-32(43(36,37)23-11-9-22(39-4)10-12-23)17-25(33)24(15-20-5-7-21(38-3)8-6-20)31-30(35)42-27-13-14-40-29-28(27)26(34)18-41-29/h5-12,19,24-29,33-34H,13-18H2,1-4H3,(H,31,35)/t24-,25+,26-,27-,28-,29-/m0/s1","GRL-085","2015-07-20","2020-06-17","(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate","2016-01-13"],["F4J","5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one","C13 H8 N6 O","O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3;O=C1N=Cc2cc(Nc3ncnc4nc[nH]c34)ccc12;c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O","InChI=1S/C13H8N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,19)","","2018-02-27","2018-05-04","5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one","2018-05-09"],["530","6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine","C16 H15 F2 N5 O2","Fc4ccc(Oc1ncc2c(nnc2n1)NC3CCOCC3)c(F)c4;Fc1ccc(Oc2ncc3c([nH]nc3NC4CCOCC4)n2)c(F)c1;c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4","InChI=1S/C16H15F2N5O2/c17-9-1-2-13(12(18)7-9)25-16-19-8-11-14(22-23-15(11)21-16)20-10-3-5-24-6-4-10/h1-2,7-8,10H,3-6H2,(H2,19,20,21,22,23)","","2009-01-06","2011-06-04","6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine",""],["531","1-[(3S)-1-benzylpiperidin-3-yl]ethanone","C14 H19 N O","C(c1ccccc1)N2CC(C(=O)C)CCC2;CC(=O)[CH]1CCCN(C1)Cc2ccccc2;CC(=O)C1CCCN(C1)Cc2ccccc2","InChI=1S/C14H19NO/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m0/s1","","2015-07-21","2016-01-15","1-[(3S)-1-benzylpiperidin-3-yl]ethanone","2016-01-20"],["F4K","(4-pyrrol-1-ylphenyl)methanol","C11 H11 N O","OCc1ccc(cc1)n2cccc2;c1ccn(c1)c2ccc(cc2)CO","InChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2","","2018-05-28","2018-08-03","(4-pyrrol-1-ylphenyl)methanol","2018-08-08"],["F4L","Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide","C17 H21 N7 O3","O=C(Nc1nnn[NH]1)C(Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3","InChI=1S/C17H21N7O3/c1-17(2,3)27-16(26)19-13(14(25)20-15-21-23-24-22-15)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H,19,26)(H2,20,21,22,23,24,25)/t13-/m1/s1","","2021-12-14","2022-07-01","Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide","2022-07-06"],["532","(5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one","C19 H16 N4 O S","O=C4N(C(=NC4(c1ccsc1)c3cccc(c2cccnc2)c3)N)C;CN1C(=N[C](C1=O)(c2cscc2)c3cccc(c3)c4cccnc4)N;CN1C(=O)C(N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4","InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,16-7-9-25-12-16)15-6-2-4-13(10-15)14-5-3-8-21-11-14/h2-12H,1H3,(H2,20,22)/t19-/m0/s1","WAY-253284","2011-06-03","2020-06-17","(5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one",""],["F4M","1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5\n-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol","C31 H45 N6 O17 P","O=C2N=C(N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C;C[CH](Nc1ccc(C[CH](O)[CH](O)[CH](O)CO[CH]2O[CH](CO[P](O)(=O)O[CH](CCC(O)=O)C(O)=O)[CH](O)[CH]2O)cc1)[CH]3[CH](C)NC4=C(N3C=O)C(=O)N=C(N)N4;CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)C(C)Nc3ccc(cc3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O","InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17+,18-,19-,20-,22?,24+,25-,26-,30+/m1/s1","N5-formyl-tetrahydromethanopterin","2012-09-20","2020-06-17","1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol","2012-10-26"],["533","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C18 H16 F2 N8 O2","Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC(Cn3ncnn3)C)C)c(F)c4;C[CH](Cn1ncnn1)Nc2ncc3C=C(Oc4ccc(F)cc4F)C(=O)N(C)c3n2;CC(Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C","InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m1/s1","","2008-12-31","2011-06-04","6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one",""],["F4N","~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide","C16 H14 Br N5 O4 S","CN(N=Cc1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O;Cc1ccc(cc1S(=O)(=O)N(C)N=Cc2cnc3n2cc(cc3)Br)[N+](=O)[O-]","InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+","","2018-05-29","2018-06-15","~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide","2018-06-20"],["534","5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine","C27 H29 N7 O2 S","O=S(=O)(c2cc(c1cnc(nc1)N)ccc2)N5CCN(c3nccnc3c4ccc(cc4)C(C)C)CC5;CC(C)c1ccc(cc1)c2nccnc2N3CCN(CC3)[S](=O)(=O)c4cccc(c4)c5cnc(N)nc5;CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N","InChI=1S/C27H29N7O2S/c1-19(2)20-6-8-21(9-7-20)25-26(30-11-10-29-25)33-12-14-34(15-13-33)37(35,36)24-5-3-4-22(16-24)23-17-31-27(28)32-18-23/h3-11,16-19H,12-15H2,1-2H3,(H2,28,31,32)","","2012-03-22","2014-09-05","5-{3-[(4-{3-[4-(propan-2-yl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine",""],["535","ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate","C9 H10 N2 O2 S","O=C(OCC)c1sc2nccn2c1C;CCOC(=O)c1sc2nccn2c1C;CCOC(=O)c1c(n2ccnc2s1)C","InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h4-5H,3H2,1-2H3","ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate","2009-09-28","2021-03-13","ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate",""],["F4O","6-methoxy-streptovaricin C","C40 H53 N O14","COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c2O;Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)C(=CC(C(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C(=O)OC)O)C)O)(C)O)C)O","InChI=1S/C40H53NO14/c1-16-13-12-14-17(2)38(50)41-28-19(4)36(55-23(8)42)24-25(34(28)48)32(46)21(6)35(53-10)26(24)30(44)18(3)15-40(9,52)37(49)22(7)33(47)27(39(51)54-11)31(45)20(5)29(16)43/h12-16,20,22,27,29,31,33,37,43,45-49,52H,1-11H3,(H,41,50)/b13-12-,17-14+,18-15+/t16-,20-,22+,27-,29-,31-,33-,37+,40-/m1/s1","","2020-03-24","2020-08-07","","2020-08-12"],["F4P","1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine","C20 H19 F2 N5 O","O=C(N3CCN(C(c1ccc(F)cc1)c2ccc(F)cc2)CC3)n4ncnc4;Fc1ccc(cc1)C(N2CCN(CC2)C(=O)n3cncn3)c4ccc(F)cc4;c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F","InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2","","2009-09-28","2024-09-27","{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}(1H-1,2,4-triazol-1-yl)methanone",""],["536","1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide","C13 H16 N2 O","C(N1C=C(CCC1)C(=O)N)c2ccccc2;NC(=O)C1=CN(CCC1)Cc2ccccc2;c1ccc(cc1)CN2CCCC(=C2)C(=O)N","InChI=1S/C13H16N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H2,14,16)","","2015-07-21","2016-01-15","1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide","2016-01-20"],["537","2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE","C14 H8 N2 O","O=C4c1cccc2c1c(nn2)c3ccccc34;O=C1c2ccccc2c3n[nH]c4cccc1c34;c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O","InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)","","2003-06-16","2011-06-04","dibenzo[cd,g]indazol-6(2H)-one",""],["F4Q","[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate","C13 H16 N5 O7 P","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O[P](O)(O)=O)[CH]4O3;c1nc2c(n1C3CC4(CC5CC5(C4O3)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1","","2018-05-30","2019-05-06","[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate","2018-06-06"],["F4R","N-dodecylmethanethioamide","C13 H27 N S","CCCCCCCCCCCCNC=S;CCCCCCCCCCCCNC=S","InChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h13H,2-12H2,1H3,(H,14,15)","","2020-03-26","2024-09-27","~{N}-dodecylmethanethioamide","2021-03-24"],["538","4'-[(2,3-dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid","C34 H32 N2 O3","CC[CH](NC(=O)c1ccc2n(Cc3ccc(cc3)c4ccccc4C(O)=O)c(C)c(C)c2c1)c5ccccc5;CCC(c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C","InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m0/s1","","2009-12-14","2011-06-04","2-[4-[[2,3-dimethyl-5-[[(1S)-1-phenylpropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid",""],["539","6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine","C18 H16 Cl2 N4","c3c2c(NC1CCCC1)nnc(c2cc(c3Cl)Cl)c4ccncc4;Clc1cc2c(NC3CCCC3)nnc(c4ccncc4)c2cc1Cl;c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl","InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)","","2015-07-21","2017-01-20","6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine","2017-01-25"],["F4S","FE4-S3 CLUSTER","Fe4 S3","[Fe]|1|2|S3[Fe]S|1[Fe]S|2[Fe]3;[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3","InChI=1S/4Fe.3S","T-CLUSTER","2011-04-14","2021-03-01","",""],["53A","ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate","C18 H20 N4 O5 S","O=C(C)C(SC1=NC=3N(c2c1cccc2)NNC=3C(=O)OCC)C(=O)OCC;CCOC(=O)[CH](SC1=NC2=C(NNN2c3ccccc13)C(=O)OCC)C(C)=O;CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)SC(C(=O)C)C(=O)OCC","InChI=1S/C18H20N4O5S/c1-4-26-17(24)13-15-19-16(28-14(10(3)23)18(25)27-5-2)11-8-6-7-9-12(11)22(15)21-20-13/h6-9,14,20-21H,4-5H2,1-3H3/t14-/m1/s1","","2009-03-27","2011-06-04","ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate",""],["F4T","methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate","C21 H26 N2 O5 S","COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3ccc(OC)cc3)c1;COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC","InChI=1S/C21H26N2O5S/c1-27-17-8-10-18(11-9-17)29(25,26)22-19-15-16(21(24)28-2)7-12-20(19)23-13-5-3-4-6-14-23/h7-12,15,22H,3-6,13-14H2,1-2H3","","2018-05-31","2018-09-21","methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate","2018-09-26"],["53B","6-hydroxypyridine-2-carboxylic acid","C6 H5 N O3","c1cc(nc(c1)C(=O)O)O;OC(=O)c1cccc(O)n1;c1cc(nc(c1)O)C(=O)O","InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)","","2015-07-21","2015-09-04","6-hydroxypyridine-2-carboxylic acid","2015-09-09"],["F4U","2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione","C13 H10 N2 O5","Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1;c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1","","2020-03-26","2020-08-21","2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione","2020-08-26"],["F4W","3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid","C12 H12 N2 O3 S","OC(=O)CCC1=Nc2sc3CCCc3c2C(=O)N1;C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1","InChI=1S/C12H12N2O3S/c15-9(16)5-4-8-13-11(17)10-6-2-1-3-7(6)18-12(10)14-8/h1-5H2,(H,15,16)(H,13,14,17)","","2018-05-31","2018-09-21","3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid","2018-09-26"],["53C","1-(3-hydroxyphenyl)ethanone","C8 H8 O2","CC(=O)c1cc(ccc1)O;CC(=O)c1cccc(O)c1;CC(=O)c1cccc(c1)O","InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3","","2015-07-21","2015-09-04","1-(3-hydroxyphenyl)ethanone","2015-09-09"],["53D","1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide","C24 H34 F N5 O2","CCN1CCN(CC1)c2cc3N(C=C(C(=O)NCCCN(C)C)C(=O)c3cc2F)C4CC4;CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C","InChI=1S/C24H34FN5O2/c1-4-28-10-12-29(13-11-28)22-15-21-18(14-20(22)25)23(31)19(16-30(21)17-6-7-17)24(32)26-8-5-9-27(2)3/h14-17H,4-13H2,1-3H3,(H,26,32)","","2021-08-19","2021-11-26","1-cyclopropyl-~{N}-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide","2021-12-01"],["F4X","8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid","C32 H42 N O8","CC1(C)c2ccccc2[N+](=C1C=Cc3ccc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)cc3)CCCCCCCC(O)=O;CC1(c2ccccc2[N+](=C1C=Cc3ccc(cc3)OC4C(C(C(C(O4)CO)O)O)O)CCCCCCCC(=O)O)C","InChI=1S/C32H41NO8/c1-32(2)23-10-7-8-11-24(23)33(19-9-5-3-4-6-12-27(35)36)26(32)18-15-21-13-16-22(17-14-21)40-31-30(39)29(38)28(37)25(20-34)41-31/h7-8,10-11,13-18,25,28-31,34,37-39H,3-6,9,12,19-20H2,1-2H3/p+1/b18-15+/t25-,28+,29+,30-,31-/m1/s1","","2020-03-31","2021-02-26","8-[2-[(~{E})-2-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid","2021-03-03"],["F4Z"," 3,5,6-trichloro-2-pyridinol","C5 H2 Cl3 N O","Oc1nc(Cl)c(Cl)cc1Cl;c1c(c(nc(c1Cl)Cl)O)Cl","InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)","","2018-05-31","2018-07-06","3,5,6-tris(chloranyl)pyridin-2-ol","2018-07-11"],["53E","2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C9 H8 O4","C1Oc2c(OC1)c(C(O)=O)ccc2;OC(=O)c1cccc2OCCOc12;c1cc(c2c(c1)OCCO2)C(=O)O","InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)","","2015-07-21","2015-09-04","2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2015-09-09"],["F50","ETHANEPEROXOIC ACID","C2 H4 O3","O=C(OO)C;CC(=O)OO;CC(=O)OO","InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3","","2006-06-02","2011-06-04","ethaneperoxoic acid",""],["53F","(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate","C29 H41 N3 O9 S","Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(OC2CCOC3C2C(O)CO3)=O)Cc4ccc(OC)cc4;COc1ccc(C[CH](NC(=O)O[CH]2CCO[CH]3OC[CH](O)[CH]23)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(N)cc4)cc1;CC(C)CN(CC(C(Cc1ccc(cc1)OC)NC(=O)OC2CCOC3C2C(CO3)O)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C29H41N3O9S/c1-18(2)15-32(42(36,37)22-10-6-20(30)7-11-22)16-24(33)23(14-19-4-8-21(38-3)9-5-19)31-29(35)41-26-12-13-39-28-27(26)25(34)17-40-28/h4-11,18,23-28,33-34H,12-17,30H2,1-3H3,(H,31,35)/t23-,24+,25-,26-,27-,28-/m0/s1","","2015-07-21","2016-01-08","(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate","2016-01-13"],["F51","2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid","C22 H16 N2 O2","n2cc1nc(c(C)c(c1cc2)C(O)=O)c3ccc(cc3)c4ccccc4;Cc1c(nc2cnccc2c1C(O)=O)c3ccc(cc3)c4ccccc4;Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O","InChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)","","2018-02-27","2018-05-18","2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid","2018-05-23"],["53G","N,N-dimethylquinoxaline-6-carboxamide","C11 H11 N3 O","n1ccnc2ccc(cc12)C(=O)N(C)C;CN(C)C(=O)c1ccc2nccnc2c1;CN(C)C(=O)c1ccc2c(c1)nccn2","InChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3","","2015-07-21","2015-09-04","N,N-dimethylquinoxaline-6-carboxamide","2015-09-09"],["F52","2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid","C8 H5 Cl3 O3","OC(=O)COc1cc(Cl)c(Cl)cc1Cl;c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O","InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)","","2018-06-01","2018-07-06","2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid","2018-07-11"],["53H","5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine","C16 H25 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)(C)C;CC(C)(C)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C16H25N7O7S/c1-16(2,3)11(17)14(26)22-31(27,28)29-4-7-9(24)10(25)15(30-7)23-6-21-8-12(18)19-5-20-13(8)23/h5-7,9-11,15,24-25H,4,17H2,1-3H3,(H,22,26)(H2,18,19,20)/t7-,9-,10-,11+,15-/m1/s1","5'-O-(3,3-Dimethyl-2-aminobutyrylsulfamoyl) adenosine","2008-04-01","2021-03-13","5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine",""],["F53","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate","C30 H42 N2 O8 S","O=S(=O)(c1ccc(cc1)CO)N(CC(CC)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(CO)cc4;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1S/C30H42N2O8S/c1-3-21(4-2)17-32(41(36,37)24-12-10-23(19-33)11-13-24)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-20-39-29-25(28)14-15-38-29/h5-13,21,25-29,33-34H,3-4,14-20H2,1-2H3,(H,31,35)/t25-,26-,27+,28-,29+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate",""],["53I","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y\nl]prop-2-en-1-one","C28 H30 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C=C(/C)C;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3C=C(C)C)c1OC;CC(=CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C","InChI=1S/C28H30N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-12,14-16,23H,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m1/s1","(R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl)pr\nop-2-en-1-one","2012-04-17","2020-06-17","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["F54","2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid","C23 H16 Cl F N2 O2","c2(c1ccc(C)nc1Cl)ccc(cc2)c4nc3ccc(F)cc3c(c4C)C(=O)O;Cc1ccc(c(Cl)n1)c2ccc(cc2)c3nc4ccc(F)cc4c(C(O)=O)c3C;Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C","InChI=1S/C23H16ClFN2O2/c1-12-3-9-17(22(24)26-12)14-4-6-15(7-5-14)21-13(2)20(23(28)29)18-11-16(25)8-10-19(18)27-21/h3-11H,1-2H3,(H,28,29)","","2018-02-27","2018-05-18","2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid","2018-05-23"],["53J","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y\nl]prop-2-en-1-one","C28 H30 N6 O3","O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C=C(/C)C;COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[CH]3C=C(C)C)c1OC;CC(=CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C","InChI=1S/C28H30N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-12,14-16,23H,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m0/s1","(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl)pr\nop-2-en-1-one","2012-04-17","2020-06-17","(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one","2013-02-08"],["53K","2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol","C22 H19 N3 O2","n2(cc(c1ccccc1)nn2)Cc3ccc(c(c3)O)Oc4ccccc4C;Cc1ccccc1Oc2ccc(Cn3cc(nn3)c4ccccc4)cc2O;Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4","InChI=1S/C22H19N3O2/c1-16-7-5-6-10-21(16)27-22-12-11-17(13-20(22)26)14-25-15-19(23-24-25)18-8-3-2-4-9-18/h2-13,15,26H,14H2,1H3","","2015-07-21","2015-08-07","2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol","2015-08-12"],["F55","N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine","C14 H17 Cl N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(Cl)cc2;OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)Cl","InChI=1S/C14H17ClN2O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1","N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine; N-{[(4-chlorophenyl)carbonyl]carbamoyl}-D-glucosylamine;\nN-{[(4-chlorophenyl)carbonyl]carbamoyl}-glucosylamine","2008-02-12","2020-07-17","N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine",""],["F56","3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one","C15 H21 N O3","CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O;CC=CCC(C)CC(C)C(=O)C1=C(C=CNC1=O)O","InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1","","2020-03-31","2020-10-09","3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one","2020-10-14"],["53L","(2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione","C17 H18 N4 O6","C13C(OC(CN1c2ccc(N(=O)=O)cc2CC34C(O)=NC(NC4=O)=O)C)C;C[CH]1CN2[CH]([CH](C)O1)[C]3(Cc4cc(ccc24)[N](=O)=O)C(=O)NC(=O)N=C3O;CC1CN2c3ccc(cc3CC4(C2C(O1)C)C(=O)NC(=O)N=C4O)N(=O)=O","InChI=1S/C17H18N4O6/c1-8-7-20-12-4-3-11(21(25)26)5-10(12)6-17(13(20)9(2)27-8)14(22)18-16(24)19-15(17)23/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,19,22,23,24)/t8-,9+,13-/m1/s1","","2015-07-22","2015-12-11","(2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione","2015-12-16"],["F57","(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate","C31 H61 O8 P","CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COC(=O)CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCC)CO[P](O)(O)=O;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(=O)(O)O","InChI=1S/C31H61O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1","","2018-03-01","2018-03-02","(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate","2018-03-07"],["53M","(2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one","C17 H18 N4 O6","C21C4(Cc3c(N1CC(OC2C)C)ccc([N+]([O-])=O)c3)C(=NC(=O)N=C4O)O;C[CH]1CN2[CH]([CH](C)O1)C3(Cc4cc(ccc24)[N+]([O-])=O)C(=NC(=O)N=C3O)O;CC1CN2c3ccc(cc3CC4(C2C(O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-]","InChI=1S/C17H18N4O6/c1-8-7-20-12-4-3-11(21(25)26)5-10(12)6-17(13(20)9(2)27-8)14(22)18-16(24)19-15(17)23/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,19,22,23,24)/t8-,9+,13-/m1/s1","","2015-07-22","2015-12-11","(2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one","2015-12-16"],["F58","N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","C14 H24 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C2CCCCC2;OC[CH]1O[CH](NC(=O)NC(=O)C2CCCCC2)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H24N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h7-11,13,17-20H,1-6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1","N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucosylamine; N-[(cyclohexylcarbonyl)carbamoyl]-D-glucosylamine;\nN-[(cyclohexylcarbonyl)carbamoyl]-glucosylamine","2012-11-22","2020-07-17","N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","2013-12-11"],["53N","3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid","C13 H11 N O4 S","O=C(O)CCc1sc(cc1)c2cccc([N+]([O-])=O)c2;OC(=O)CCc1sc(cc1)c2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O","InChI=1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16)","","2008-07-03","2011-06-04","3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid",""],["53O","1-(biphenyl-3-yl)-1H-imidazole","C15 H12 N2","c1n(cnc1)c2cccc(c2)c3ccccc3;c1ccc(cc1)c2cccc(c2)n3ccnc3;c1ccc(cc1)c2cccc(c2)n3ccnc3","InChI=1S/C15H12N2/c1-2-5-13(6-3-1)14-7-4-8-15(11-14)17-10-9-16-12-17/h1-12H","","2015-07-22","2015-12-18","1-(biphenyl-3-yl)-1H-imidazole","2015-12-23"],["F59","N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","C20 H22 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3ccc(c2ccccc2)cc3;OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1","","2008-02-12","2011-06-04","N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine",""],["F5A","2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid","C17 H15 Cl O4","C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O;CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl","InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)","","2019-01-23","2020-11-06","2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid","2020-11-11"],["53P","(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile","C21 H19 F N6 O2","C(c4c3c1cc(c(nc1)N)OC(c2cc(ccc2C(N(Cc3nn4C)C)=O)F)C)#N;C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N;CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F","InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1","","2015-07-22","2016-10-04","(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-4,8-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile","2016-06-08"],["F5B","1,2,3,4,5-pentafluorobenzene","C6 H F5","Fc1cc(F)c(F)c(F)c1F;Fc1cc(F)c(F)c(F)c1F;c1c(c(c(c(c1F)F)F)F)F","InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H","","2008-07-11","2011-06-04","1,2,3,4,5-pentafluorobenzene",""],["53Q","Clomifene","C26 H28 Cl N O","C(Oc1ccc(cc1)C(=C(/c2ccccc2)Cl)c3ccccc3)CN(CC)CC;CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c2ccccc2)c3ccccc3;CCN(CC)CCOc1ccc(cc1)C(=C(c2ccccc2)Cl)c3ccccc3","InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+","1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene; clomiphene","2015-07-22","2020-05-26","2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethan-1-amine","2015-08-19"],["F5C","penta-fluorocinnamic acid","C9 H3 F5 O2","[C@H](=Cc1c(F)c(F)c(c(c1F)F)F)C(O)=O;OC(=O)C=Cc1c(F)c(F)c(F)c(F)c1F;C(=CC(=O)O)c1c(c(c(c(c1F)F)F)F)F","InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1+","","2015-04-14","2015-06-12","(2E)-3-(pentafluorophenyl)prop-2-enoic acid","2015-06-17"],["53R","5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C22 H22 N4 O","C(#CC(c2cc(c1ccccc1)cc(OC)c2)C)c3c(nc(nc3C)N)N;COc1cc(cc(c1)c2ccccc2)[CH](C)C#Cc3c(C)nc(N)nc3N;Cc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccccc3","InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/m0/s1","","2008-09-15","2011-06-04","5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["53S","5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C23 H24 N4 O","C(#CC(c2cc(c1ccc(cc1)C)cc(OC)c2)C)c3c(nc(nc3C)N)N;COc1cc(cc(c1)c2ccc(C)cc2)[CH](C)C#Cc3c(C)nc(N)nc3N;Cc1ccc(cc1)c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C","InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)/t15-/m0/s1","","2008-09-15","2011-06-04","5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["F5D","5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine","C20 H32 N7 O15 P3 S","c12c(N)ncnc1n(cn2)C5C(C(C(COP(=O)(OC(CCCCC3SCC4C3NC(N4)O)=O)OP(=O)(O)OP(=O)(O)O)O5)O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(OC(=O)CCCC[CH]4SC[CH]5N[CH](O)N[CH]45)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OC(=O)CCCCC4C5C(CS4)NC(N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C20H32N7O15P3S/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(39-19)5-38-45(37,42-44(35,36)41-43(32,33)34)40-12(28)4-2-1-3-11-13-9(6-46-11)25-20(31)26-13/h7-11,13,15-16,19-20,25-26,29-31H,1-6H2,(H,35,36)(H2,21,22,23)(H2,32,33,34)/t9-,10+,11-,13?,15+,16+,19+,20+,45-/m0/s1","","2018-02-28","2018-03-29","5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine","2018-04-04"],["53T","5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C24 H26 N4 O","C(#CC(c2cc(c1cc(cc(c1)C)C)cc(OC)c2)C)c3c(nc(nc3C)N)N;COc1cc(cc(c1)c2cc(C)cc(C)c2)[CH](C)C#Cc3c(C)nc(N)nc3N;Cc1cc(cc(c1)c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C)C","InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/m0/s1","","2008-09-15","2011-06-04","5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["F5E","~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide","C28 H40 N4 O2 S","CC(C)Cc1ccc2nn(C)cc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3;CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C","InChI=1S/C28H40N4O2S/c1-21(2)19-24-11-14-27-26(20-32(4)29-27)28(24)30-35(33,34)25-12-9-22(10-13-25)7-5-6-8-23-15-17-31(3)18-16-23/h9-14,20-21,23,30H,5-8,15-19H2,1-4H3","","2018-06-01","2018-10-05","~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide","2018-10-10"],["F5F","3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one","C15 H21 N O2","C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O;CC1CC(C(C(C1)C=C)C2=C(C=CNC2=O)O)C","InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1","","2020-03-31","2020-10-09","3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one","2020-10-14"],["53U","D-phenylalanyl-N-benzyl-L-prolinamide","C21 H25 N3 O2","O=C(NCc1ccccc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccccc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccccc3)N","InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1","(2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-(phenylmethyl)pyrrolidine-2-carboxamide","2008-01-08","2021-03-01","D-phenylalanyl-N-benzyl-L-prolinamide",""],["F5G","(2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C18 H28 N4 O16 P2","C(OP(OP(OC1C(NC(=O)C)C(C(NC=O)C(C)O1)O)(=O)O)(O)=O)C3C(C(C(N2C(NC(C=C2)=O)=O)O3)O)O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1NC=O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O","InChI=1S/C18H28N4O16P2/c1-7-11(19-6-23)14(27)12(20-8(2)24)17(35-7)37-40(32,33)38-39(30,31)34-5-9-13(26)15(28)16(36-9)22-4-3-10(25)21-18(22)29/h3-4,6-7,9,11-17,26-28H,5H2,1-2H3,(H,19,23)(H,20,24)(H,30,31)(H,32,33)(H,21,25,29)/t7-,9+,11-,12+,13+,14-,15+,16+,17+/m0/s1","","2018-02-28","2018-10-12","(2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2018-10-17"],["53V","5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C24 H26 N4 O","C(#CC(c2cc(c1c(cccc1C)C)cc(OC)c2)C)c3c(nc(nc3C)N)N;COc1cc(cc(c1)c2c(C)cccc2C)[CH](C)C#Cc3c(C)nc(N)nc3N;Cc1cccc(c1c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C)C","InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/m0/s1","","2008-09-15","2011-06-04","5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["53W","5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole","C27 H32 N4 O3","c1(c(c(C)on1)c5cc4c(n(CCN2CCOCC2)c(CCc3ccc(OC)cc3)n4)cc5)C;COc1ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc5C)cc1;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC","InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)22-7-10-25-24(18-22)28-26(11-6-21-4-8-23(32-3)9-5-21)31(25)13-12-30-14-16-33-17-15-30/h4-5,7-10,18H,6,11-17H2,1-3H3","","2015-07-22","2016-04-15","5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole","2016-04-20"],["F5H","3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-altro-heptitol","C12 H18 F N2 O8 P","O=P(O)(O)OC(C2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O)C;C[CH](O[P](O)(O)=O)[CH]1OC[CH]([CH](F)[CH]1O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2COC(C(C2F)O)C(C)OP(=O)(O)O","InChI=1S/C12H18FN2O8P/c1-5-3-15(12(18)14-11(5)17)7-4-22-10(9(16)8(7)13)6(2)23-24(19,20)21/h3,6-10,16H,4H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t6-,7+,8-,9-,10+/m0/s1","","2012-01-11","2012-02-03","3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-altro-heptitol",""],["F5I","cis-bis(mi2-acetato-O, O')-tetraaquo-dirhodium(II)","C4 H12 O8 Rh2","C[CH]1O[Rh+](O)(O)O[CH](C)O[Rh+](O)(O)O1;CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O","InChI=1S/2C2H4O2.4H2O.2Rh/c2*1-2(3)4;;;;;;/h2*2H,1H3;4*1H2;;/q2*-2;;;;;2*+5/p-4","","2022-01-19","2022-08-22","3,7-dimethyl-1,1,5,5-tetrakis(oxidanyl)-2,4,6,8-tetraoxa-1$l^{5},5$l^{5}-dirhodabicyclo[3.3.0]octane","2022-03-02"],["53X","3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid","C15 H15 N3 O2","O=C(O)c1cc(nn1C)c3c2ccccc2n(c3)CC;CCn1cc(c2cc(n(C)n2)C(O)=O)c3ccccc13;CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O","InChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-13(10)18)12-8-14(15(19)20)17(2)16-12/h4-9H,3H2,1-2H3,(H,19,20)","","2015-07-22","2016-09-23","3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid","2016-09-28"],["F5J","7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C17 H18 N4 O4","c2cc1c(ncnc1n2C4C(C(O)C(C(c3ccccc3)O)O4)O)N;Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O)[CH](O)c4ccccc4;c1ccc(cc1)C(C2C(C(C(O2)n3ccc4c3ncnc4N)O)O)O","InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1","","2018-02-28","2018-05-11","7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2018-05-16"],["53Y","pyrrolo[1,2-a]quinoxalin-4(5H)-one","C11 H8 N2 O","c3cc2C(Nc1ccccc1n2c3)=O;O=C1Nc2ccccc2n3cccc13;c1ccc-2c(c1)NC(=O)c3n2ccc3","InChI=1S/C11H8N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)","","2015-07-23","2015-11-13","pyrrolo[1,2-a]quinoxalin-4(5H)-one","2015-11-18"],["F5L","(1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H44 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C","InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24+/m0/s1","","2021-12-14","2024-09-27","(1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["53Z","1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea","C14 H20 N4 O2","O=C(N1CCCC1)CNC(=O)NCc2ccc(N)cc2;Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1;c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N","InChI=1S/C14H20N4O2/c15-12-5-3-11(4-6-12)9-16-14(20)17-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10,15H2,(H2,16,17,20)","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea","2014-02-19"],["540","8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline","C19 H17 F N4 O","Fc4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(OC)c4;COc1cc(F)cc2n3c(nc(C)c3c(C)nc12)c4ccncc4C;Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C","InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3","","2011-07-11","2011-10-21","8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline",""],["F5M","5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid","C24 H13 N O7","O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5;OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N5C(=O)C=CC5=O;c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O","InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)","fluorescein-5-maleimide","2010-04-13","2021-03-01","5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid",""],["541","(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE","C25 H27 N3 O4","O=C(NO)C(N4C(=O)C(c3ccc(OCc1c2ccccc2nc(c1)C)cc3)(C)CC4)C;C[CH](N1CC[C](C)(C1=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NO;Cc1cc(c2ccccc2n1)COc3ccc(cc3)C4(CCN(C4=O)C(C)C(=O)NO)C","InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1","","2006-02-01","2011-06-04","(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide",""],["F5N","2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide","C15 H13 N3 O","O=C(Nc1ccccc1)Cc2nc3ccccn3c2;O=C(Cc1cn2ccccc2n1)Nc3ccccc3;c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2","InChI=1S/C15H13N3O/c19-15(17-12-6-2-1-3-7-12)10-13-11-18-9-5-4-8-14(18)16-13/h1-9,11H,10H2,(H,17,19)","","2010-11-18","2011-10-28","2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide",""],["542","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide","C26 H25 F N6 O6","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NC)C(O)C5O;CNc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O","InChI=1S/C26H25FN6O6/c1-28-23-19-24(31-11-30-23)33(12-32-19)26-22(37)21(36)18(39-26)3-2-8-29-25(38)16-9-14(10-17(34)20(16)35)13-4-6-15(27)7-5-13/h2-7,9-12,18,21-22,26,34-37H,8H2,1H3,(H,29,38)(H,28,30,31)/b3-2+/t18-,21-,22-,26-/m1/s1","","2009-06-22","2011-06-04","N-methyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["F5O","4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid","C32 H30 F5 N3 O5","COc1cccc(c1F)C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[CH](NCCCC(O)=O)c4ccccc4)C2=O;CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)CC(c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC","InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1","","2020-03-31","2020-10-02","4-[[(1~{R})-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid","2020-10-07"],["F5P","(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl\n[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen\ndiphosphate","C17 H28 N4 O15 P2","C(OP(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)(O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1N;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N","InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1","UDP-4-amino-4,6-dideoxy-L-AltNAc","2018-02-28","2020-06-17","(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2018-10-17"],["543","CALCIUM ION, 6 WATERS PLUS ETHANOL COORDINATED","C2 H18 Ca O7","O|[Ca++](|O)(|O)(|O)(|O)(|O)|OCC;CC[OH][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/C2H6O.Ca.6H2O/c1-2-3;;;;;;;/h3H,2H2,1H3;;6*1H2/q;+2;;;;;;/rC2H18CaO7/c1-2-10-3(4,5,6,7,8)9/h10H,2,4-9H2,1H3/q+2","","2000-04-04","2008-10-14","",""],["544","2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID","C31 H30 N2 O5","O=C(O)C(N/C(=CC(=O)c1ccccc1)C)Cc4ccc(OCCc2nc(oc2C)c3ccccc3)cc4;CC(N[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)C(O)=O)=CC(=O)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(C(=O)O)NC(=CC(=O)c4ccccc4)C","InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1","GW409544","2001-10-25","2020-06-17","N-[(1Z)-1-methyl-3-oxo-3-phenylprop-1-en-1-yl]-O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-L-tyrosine",""],["F5Q","4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide","C29 H38 N4 O2 S","CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc4ncccc34)N5CCCC5)CC1;CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5","InChI=1S/C29H38N4O2S/c1-32-21-16-24(17-22-32)8-3-2-7-23-10-12-25(13-11-23)36(34,35)31-29-26-9-6-18-30-27(26)14-15-28(29)33-19-4-5-20-33/h6,9-15,18,24,31H,2-5,7-8,16-17,19-22H2,1H3","","2018-06-01","2018-09-21","4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide","2018-09-26"],["F5R","4-bromanylbenzenecarboximidamide","C7 H7 Br N2","NC(=N)c1ccc(Br)cc1;c1cc(ccc1C(=N)N)Br","InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)","4-Bromobenzamidine","2020-04-01","2021-03-01","4-bromanylbenzenecarboximidamide","2020-08-26"],["545","[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER","C21 H33 N3 O9","O=C(OCCCC)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO;CCCCOC(=O)[CH](NC(=O)[CH](N)Cc1ccc(O)cc1)[CH]2[CH](O)[C](O)(CO)[CH](O)CN2O;CCCCOC(=O)C(C1C(C(C(CN1O)O)(CO)O)O)NC(=O)C(Cc2ccc(cc2)O)N","InChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1","SB-243545","2001-07-05","2021-03-01","butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoate",""],["546","2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine","C18 H17 N5 O","n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C;COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C;Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C","InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3","","2011-07-11","2011-10-21","2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine",""],["F5S","(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one","C26 H27 N O7","C2/C(C=CC=CC1C(O1)CC(OC(c3c(O)cc(cc23)O)=O)C)=NOCc4ccc(OC)cc4;COc1ccc(CON=C2Cc3cc(O)cc(O)c3C(=O)O[CH](C)C[CH]4O[CH]4C=CC=C2)cc1;CC1CC2C(O2)C=CC=CC(=NOCc3ccc(cc3)OC)Cc4cc(cc(c4C(=O)O1)O)O","InChI=1S/C26H27NO7/c1-16-11-24-23(34-24)6-4-3-5-19(27-32-15-17-7-9-21(31-2)10-8-17)12-18-13-20(28)14-22(29)25(18)26(30)33-16/h3-10,13-14,16,23-24,28-29H,11-12,15H2,1-2H3/b5-3+,6-4-,27-19-/t16-,23-,24-/m1/s1","","2018-03-01","2019-01-25","(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one","2019-01-30"],["F5T","cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, O')-diaquo-dirhodium (II)","C6 H11 F3 O8 Rh2","C[CH]1O[Rh+]2(O)O[CH](C)O[Rh+](O)(O1)O[CH](O2)C(F)(F)F;CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O","InChI=1S/C2HF3O2.2C2H4O2.2H2O.2Rh/c3-2(4,5)1(6)7;2*1-2(3)4;;;;/h1H;2*2H,1H3;2*1H2;;/q3*-2;;;2*+5/p-2","","2022-01-19","2022-08-22","3,7-dimethyl-1,5-bis(oxidanyl)-10-(trifluoromethyl)-2,4,6,8,9,11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undecane","2022-03-02"],["547","2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE","C25 H26 N4 O","n1ccc(c2c1oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5;C1CN(CCN1)CCNc2ccnc3oc(c4ccccc4)c(c5ccccc5)c23;c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5","InChI=1S/C25H26N4O/c1-3-7-19(8-4-1)22-23-21(27-15-18-29-16-13-26-14-17-29)11-12-28-25(23)30-24(22)20-9-5-2-6-10-20/h1-12,26H,13-18H2,(H,27,28)","FURANOPYRIDINE 8","2007-01-12","2020-06-17","2,3-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine",""],["F5U","2-(5-methoxy-1H-indol-3-yl)ethanamine","C11 H14 N2 O","COc1ccc2[nH]cc(CCN)c2c1;COc1ccc2c(c1)c(c[nH]2)CCN","InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3","5-Methoxytryptamine","2020-04-01","2021-03-01","2-(5-methoxy-1~{H}-indol-3-yl)ethanamine","2020-08-26"],["548","6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline","C19 H14 Cl F3 N4","FC(F)(F)c4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(Cl)c4;Cc1cnccc1c2nc(C)c3n2c4cc(cc(Cl)c4nc3C)C(F)(F)F;Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C","InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3","","2011-07-11","2011-10-21","6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline",""],["549","1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid","C11 H12 N2 O2","C(n2c1ccc(C(O)=O)cc1nc2)(C)C;CC(C)n1cnc2cc(ccc12)C(O)=O;CC(C)n1cnc2c1ccc(c2)C(=O)O","InChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15)","","2015-07-23","2015-11-13","1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid","2015-11-18"],["F5V","N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide","C21 H20 N4 O3 S","Cn1cc(cn1)c3cc2C(=CN(C(c2cc3)=O)C)c4cc(ccc4)NS(=O)(C)=O;Cn1cc(cn1)c2ccc3C(=O)N(C)C=C(c4cccc(N[S](C)(=O)=O)c4)c3c2;Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C","InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3","","2018-03-01","2018-04-27","N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide","2018-05-02"],["54B","1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea","C26 H26 F3 N9 O3 S","CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cc(cnc3N4[CH]5CC[CH]4CN(C)C5)C6=NNC(=O)O6;CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3C4CCC3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F","InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)/t14-,15+","","2015-07-23","2018-08-31","1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea","2018-09-05"],["F5W","2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine","C14 H21 N2","CCC[n+]1c2CCCc2c(N)c3CCCc13;CCC[n+]1c2c(c(c3c1CCC3)N)CCC2","InChI=1S/C14H20N2/c1-2-9-16-12-7-3-5-10(12)14(15)11-6-4-8-13(11)16/h15H,2-9H2,1H3/p+1","2-Propyl-2-azoniatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine","2023-06-28","2023-08-04","2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine","2023-08-09"],["F5X","2-(6-methoxy-1H-indol-3-yl)ethanamine","C11 H14 N2 O","COc1ccc2c(CCN)c[nH]c2c1;COc1ccc2c(c1)[nH]cc2CCN","InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3","6-Methoxytryptamine","2020-04-01","2021-03-01","2-(6-methoxy-1~{H}-indol-3-yl)ethanamine","2020-08-26"],["54C","(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan","C16 H20 N2 O4","C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O;CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23;CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O)O)N)O","InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1","","2015-07-23","2024-09-27","(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan","2015-10-28"],["54D","methyl thiophene-2-carboxylate","C6 H6 O2 S","O=C(OC)c1sccc1;COC(=O)c1sccc1;COC(=O)c1cccs1","InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3","","2008-05-23","2011-06-04","methyl thiophene-2-carboxylate",""],["F5Y","4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one","C23 H23 N3 O4 S","CCS(=O)(=O)c1cc(c(cc1)OC)C2=CN(C)C(=O)c3c2cc(cc3)c4cn(nc4)C;CC[S](=O)(=O)c1ccc(OC)c(c1)C2=CN(C)C(=O)c3ccc(cc23)c4cnn(C)c4;CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC","InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3","","2018-03-01","2018-04-27","4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one","2018-05-02"],["54E","1-(2-chlorobiphenyl-4-yl)methanamine","C13 H12 Cl N","Clc1cc(ccc1c2ccccc2)CN;NCc1ccc(c(Cl)c1)c2ccccc2;c1ccc(cc1)c2ccc(cc2Cl)CN","InChI=1S/C13H12ClN/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9,15H2","","2015-07-23","2016-07-22","1-(2-chlorobiphenyl-4-yl)methanamine","2016-07-27"],["F5Z","4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide","C29 H39 N3 O2 S","CC(C)Cc1ccc2ncccc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3;CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2","InChI=1S/C29H39N3O2S/c1-22(2)21-25-12-15-28-27(9-6-18-30-28)29(25)31-35(33,34)26-13-10-23(11-14-26)7-4-5-8-24-16-19-32(3)20-17-24/h6,9-15,18,22,24,31H,4-5,7-8,16-17,19-21H2,1-3H3","","2018-06-01","2018-09-21","4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide","2018-09-26"],["F60","1H-indol-6-ol","C8 H7 N O","Oc1ccc2c(c1)ncc2;Oc1ccc2cc[nH]c2c1;c1cc(cc2c1cc[nH]2)O","InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H","","2015-10-15","2016-03-11","1H-indol-6-ol","2016-03-16"],["54F","3-(pyridin-2-yloxy)aniline","C11 H10 N2 O","O(c1cc(N)ccc1)c2ncccc2;Nc1cccc(Oc2ccccn2)c1;c1ccnc(c1)Oc2cccc(c2)N","InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2","","2012-07-02","2012-11-23","3-(pyridin-2-yloxy)aniline","2012-11-23"],["54G","2-hydroxy-5-methylbenzoic acid","C8 H8 O3","c1cc(c(cc1C)C(O)=O)O;Cc1ccc(O)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)O","InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)","","2015-07-23","2024-09-27","2-hydroxy-5-methylbenzoic acid","2016-07-27"],["F61","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide","C35 H69 N O9","C(OC1C(C(C(C(O1)CO)O)O)O)C(NC(CCCCCCCCCC)=O)C(C(O)CCCCCCCCCCCCCC)O;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O","InChI=1S/C35H69NO9/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-28(38)31(40)27(36-30(39)24-22-20-18-12-10-8-6-4-2)26-44-35-34(43)33(42)32(41)29(25-37)45-35/h27-29,31-35,37-38,40-43H,3-26H2,1-2H3,(H,36,39)/t27-,28+,29+,31-,32-,33-,34+,35-/m0/s1","","2018-03-01","2018-03-02","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide","2018-03-07"],["54H","5'-O-(D-valylsulfamoyl)adenosine","C15 H23 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C;CC(C)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C15H23N7O7S/c1-6(2)8(16)14(25)21-30(26,27)28-3-7-10(23)11(24)15(29-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-8,10-11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8-,10-,11-,15-/m1/s1","5'-O-(3-Methyl-2-aminobutyrylsulfamoyl) adenosine","2008-04-01","2021-03-01","5'-O-(D-valylsulfamoyl)adenosine",""],["F62","N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide","C29 H31 N7 O3","COc1cc(ccc1Nc2ncc3C(=CC(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)C)N5CCN(C)CC5;CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C","InChI=1S/C29H31N7O3/c1-5-26(37)31-20-7-6-8-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-10-9-21(17-25(24)39-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,37)(H,30,32,33)","","2016-09-30","2024-09-27","~{N}-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide","2017-06-28"],["F63","N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine","C11 H12 N2 O2","n2cc(Oc1oc(cc1)CNC)ccc2;CNCc1oc(Oc2cccnc2)cc1;CNCc1ccc(o1)Oc2cccnc2","InChI=1S/C11H12N2O2/c1-12-7-10-4-5-11(15-10)14-9-3-2-6-13-8-9/h2-6,8,12H,7H2,1H3","","2010-10-29","2011-10-14","N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine",""],["54I","(3E)-3-(hydroxyimino)propanoic acid","C3 H5 N O3","O=C(O)CC=NO;ON=CCC(O)=O;C(C=NO)C(=O)O","InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+","","2021-07-15","2024-09-27","(3E)-3-(hydroxyimino)propanoic acid","2021-12-01"],["54J","N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide","C28 H33 F2 N7 O2 S","N1(CCC(CC1)N(C)c5ccc3c(c(cn3c2c(c(ccc2F)NS(=O)(=O)CCC)F)c4cncnc4)n5)CC;CCC[S](=O)(=O)Nc1ccc(F)c(n2cc(c3cncnc3)c4nc(ccc24)N(C)C5CCN(CC)CC5)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F","InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3","","2015-07-23","2016-03-04","N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide","2016-03-09"],["F64","(2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C24 H28 Cl N3 O7 S","COc3ncc(COc2ccc(C1=CCN(C(C1)=O)CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc3Cl;COc1ncc(COc2ccc(cc2)C3=CCN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc1Cl;CC(CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C","InChI=1S/C24H28ClN3O7S/c1-24(23(30)27-31,36(3,32)33)9-11-28-10-8-18(13-21(28)29)17-4-6-19(7-5-17)35-15-16-12-20(25)22(34-2)26-14-16/h4-8,12,14,31H,9-11,13,15H2,1-3H3,(H,27,30)/t24-/m0/s1","","2018-03-01","2019-03-08","(2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2019-03-13"],["F65","methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate","C30 H43 N3 O4 S","COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3)c1;CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC","InChI=1S/C30H43N3O4S/c1-32-21-17-25(18-22-32)10-6-5-9-24-11-14-27(15-12-24)38(35,36)31-28-23-26(30(34)37-2)13-16-29(28)33-19-7-3-4-8-20-33/h11-16,23,25,31H,3-10,17-22H2,1-2H3","","2018-06-01","2018-09-21","methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate","2018-09-26"],["54K","7-methyl-3H-imidazo[4,5-c]pyridin-4-amine","C7 H8 N4","n1c(c2c(c(c1)C)ncn2)N;Cc1cnc(N)c2[nH]cnc12;Cc1cnc(c2c1nc[nH]2)N","InChI=1S/C7H8N4/c1-4-2-9-7(8)6-5(4)10-3-11-6/h2-3H,1H3,(H2,8,9)(H,10,11)","3-deaza-3-methyladenine","2015-07-23","2021-03-01","7-methyl-3H-imidazo[4,5-c]pyridin-4-amine","2015-10-28"],["F66","2-(2-methyl-1H-indol-3-yl)ethanamine","C11 H14 N2","Cc1[nH]c2ccccc2c1CCN;Cc1c(c2ccccc2[nH]1)CCN","InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3","2-Methyltryptamine","2020-04-01","2020-08-21","2-(2-methyl-1~{H}-indol-3-yl)ethanamine","2020-08-26"],["54L","pent-4-ynoic acid","C5 H6 O2","C(CCC#C)(=O)O;OC(=O)CCC#C;C#CCCC(=O)O","InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)","","2015-07-23","2024-09-27","pent-4-ynoic acid","2015-12-02"],["F67","(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one","C13 H12 N4 O","O=C1c2c(C(N1)C)cc(cc2)Nc3ccncn3;C[CH]1NC(=O)c2ccc(Nc3ccncn3)cc12;CC1c2cc(ccc2C(=O)N1)Nc3ccncn3","InChI=1S/C13H12N4O/c1-8-11-6-9(2-3-10(11)13(18)16-8)17-12-4-5-14-7-15-12/h2-8H,1H3,(H,16,18)(H,14,15,17)/t8-/m1/s1","","2018-03-02","2018-05-04","(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one","2018-05-09"],["54M","(5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine","C21 H20 N4 O","O(c1ccc(cc1)C2(N=C(N)CC2)c3cc(ccc3)c4cncnc4)C;COc1ccc(cc1)[C]2(CCC(=N2)N)c3cccc(c3)c4cncnc4;COc1ccc(cc1)C2(CCC(=N2)N)c3cccc(c3)c4cncnc4","InChI=1S/C21H20N4O/c1-26-19-7-5-17(6-8-19)21(10-9-20(22)25-21)18-4-2-3-15(11-18)16-12-23-14-24-13-16/h2-8,11-14H,9-10H2,1H3,(H2,22,25)/t21-/m1/s1","","2012-08-16","2014-09-05","(2R)-2-(4-methoxyphenyl)-2-[3-(pyrimidin-5-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine","2013-06-26"],["F68","N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine","C15 H20 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2)C;Cc1ccc(cc1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;Cc1ccc(cc1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C15H20N2O7/c1-7-2-4-8(5-3-7)13(22)16-15(23)17-14-12(21)11(20)10(19)9(6-18)24-14/h2-5,9-12,14,18-21H,6H2,1H3,(H2,16,17,22,23)/t9-,10-,11+,12-,14-/m1/s1","","2008-02-12","2011-06-04","N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine",""],["54N","8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one","C25 H25 F N6 O2","CN(C)Cc1ccc(c(C)n1)c2cnc(NCc3c(F)ccc4OCCc34)c5C=NNC(=O)c25;Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F","InChI=1S/C25H25FN6O2/c1-14-16(5-4-15(30-14)13-32(2)3)19-11-28-24(20-12-29-31-25(33)23(19)20)27-10-18-17-8-9-34-22(17)7-6-21(18)26/h4-7,11-12H,8-10,13H2,1-3H3,(H,27,28)(H,31,33)","","2021-07-07","2021-12-03","8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2~{H}-pyrido[3,4-d]pyridazin-1-one","2021-12-08"],["54O","3-hydroxypropane-1-sulfonic acid","C3 H8 O4 S","C(CS(=O)(O)=O)CO;OCCC[S](O)(=O)=O;C(CO)CS(=O)(=O)O","InChI=1S/C3H8O4S/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H,5,6,7)","","2015-07-23","2015-08-07","3-hydroxypropane-1-sulfonic acid","2015-08-12"],["F69","(2-thiophen-2-ylphenyl)methanol","C11 H10 O S","OCc1ccccc1c2sccc2;OCc1ccccc1c2sccc2;c1ccc(c(c1)CO)c2cccs2","InChI=1S/C11H10OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2","","2010-09-30","2011-06-04","[2-(thiophen-2-yl)phenyl]methanol",""],["54P","3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol","C16 H18 Cl N O","C(NCc1cc(Cl)c(cc1)c2ccccc2)CCO;OCCCNCc1ccc(c(Cl)c1)c2ccccc2;c1ccc(cc1)c2ccc(cc2Cl)CNCCCO","InChI=1S/C16H18ClNO/c17-16-11-13(12-18-9-4-10-19)7-8-15(16)14-5-2-1-3-6-14/h1-3,5-8,11,18-19H,4,9-10,12H2","","2015-07-23","2016-11-25","3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol","2016-11-30"],["F6A","N-biphenyl-3-yl-2-(trifluoromethyl)benzamide","C20 H14 F3 N O","FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3ccccc3;c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F","InChI=1S/C20H14F3NO/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,24,25)","","2010-01-06","2011-06-04","N-(3-phenylphenyl)-2-(trifluoromethyl)benzamide",""],["F6B","N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE","C14 H12 F2 N2 O3 S","c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cccc2F;c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)","","2000-10-27","2018-04-18","N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide",""],["54Q","(2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione","C17 H18 N4 O6","O=[N+](c1ccc2c(c1)CC4(C3N2CC(C)OC3C)C(=O)NC(NC4=O)=O)[O-];C[CH]1CN2[CH]([CH](C)O1)C3(Cc4cc(ccc24)[N+]([O-])=O)C(=O)NC(=O)NC3=O;CC1CN2c3ccc(cc3CC4(C2C(O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-]","InChI=1S/C17H18N4O6/c1-8-7-20-12-4-3-11(21(25)26)5-10(12)6-17(13(20)9(2)27-8)14(22)18-16(24)19-15(17)23/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,19,22,23,24)/t8-,9+,13-/m1/s1","","2015-07-24","2015-12-11","(2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione","2015-12-16"],["F6C","Chlorophyll F","C55 H68 Mg N4 O6","C(CC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C=3N4C(=CC8=N5C(=Cc6c(C)c(CC)c7C=C1N(=C2C=3C(C(=O)C2=C1C)C(=O)OC)[Mg]45n67)C(/C=C)=C8C=O)C=9C;CCc1c(C)c2C=C3N=C(C=C4[N]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH](C(=O)OC)C(=O)C7=C6C)C(=C3C=C)C=O;CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)OC)C)C","InChI=1S/C55H69N4O6.Mg/c1-12-38-35(8)42-27-46-39(13-2)41(30-60)47(57-46)28-43-36(9)40(52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)29-45(38)56-42)23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4;/h13,25,27-33,51H,2,12,14-24,26H2,1,3-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+,42-27-,43-28-,44-29-,45-29-,46-27-,47-28-,52-50-;/t32-,33-,51-;/m1./s1","[methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium","2019-07-03","2025-11-24","[methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium","2020-01-15"],["54R","N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide","C18 H21 Cl N2 O","C(C)(NCCCNCc1ccc(c(c1)Cl)c2ccccc2)=O;CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2;CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2","InChI=1S/C18H21ClN2O/c1-14(22)21-11-5-10-20-13-15-8-9-17(18(19)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H,21,22)","","2015-07-24","2016-11-25","N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide","2016-11-30"],["F6D","(3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile","C24 H25 Cl N8 O","c1(OC)ccccc1C(CNc2n4c(nc(C)c2)nc(NC(CC#N)c3cc(ccc3)Cl)n4)N;COc1ccccc1[CH](N)CNc2cc(C)nc3nc(N[CH](CC#N)c4cccc(Cl)c4)nn23;Cc1cc(n2c(n1)nc(n2)NC(CC#N)c3cccc(c3)Cl)NCC(c4ccccc4OC)N","InChI=1S/C24H25ClN8O/c1-15-12-22(28-14-19(27)18-8-3-4-9-21(18)34-2)33-24(29-15)31-23(32-33)30-20(10-11-26)16-6-5-7-17(25)13-16/h3-9,12-13,19-20,28H,10,14,27H2,1-2H3,(H,30,32)/t19-,20-/m1/s1","","2018-03-02","2018-03-29","(3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile","2018-04-04"],["54S","N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide","C26 H26 Cl N3 O4","C(CC(NCCC(Nc1cc(ccc1)C(O)=O)=O)=O)NCc2ccc(c(c2)Cl)c3ccccc3;OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)c3ccccc3)c1;c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)","","2015-07-24","2016-07-22","N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide","2016-07-27"],["54T","6-chloro-1,3-benzothiazol-2-amine","C7 H5 Cl N2 S","n2c1c(cc(cc1)Cl)sc2N;Nc1sc2cc(Cl)ccc2n1;c1cc2c(cc1Cl)sc(n2)N","InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)","","2015-07-24","2015-09-04","6-chloro-1,3-benzothiazol-2-amine","2015-09-09"],["F6E","(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one","C25 H28 N4 O2","CCCN1CCN(C[CH](Cc2ccc(cc2)c3ccccc3)C1=O)C(=O)c4c[nH]cn4;CCCN1CCN(CC(C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4","InChI=1S/C25H28N4O2/c1-2-12-28-13-14-29(25(31)23-16-26-18-27-23)17-22(24(28)30)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,16,18,22H,2,12-15,17H2,1H3,(H,26,27)/t22-/m0/s1","","2018-06-01","2019-02-01","(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one","2019-02-06"],["F6F","2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE","C10 H11 F3 N O6 P","FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O;O[P](O)(=O)OCCNC(=O)c1ccc(OC(F)(F)F)cc1;c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F","InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)","N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6","2004-08-04","2020-06-17","2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate",""],["54U","1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone","C12 H16 N2 O2","c2c(N1CCN(C(C)=O)CC1)ccc(c2)O;CC(=O)N1CCN(CC1)c2ccc(O)cc2;CC(=O)N1CCN(CC1)c2ccc(cc2)O","InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3","","2015-07-24","2015-09-04","1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone","2015-09-09"],["F6G","6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one","C8 H17 N4 O13 P3","C1(NC(N)=NCN1C2OC(C(C2)O)COP(O)(=O)OP(O)(OP(O)(O)=O)=O)=O;NC1=NCN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1;C1C(C(OC1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C8H17N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h4-6,13H,1-3H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,10,11,14)/t4-,5+,6+/m0/s1","","2018-03-05","2019-06-14","6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one","2019-06-19"],["54V","methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate","C14 H20 N2 O2","N1(CCN(CC1)C)Cc2ccc(cc2)C(=O)OC;COC(=O)c1ccc(CN2CCN(C)CC2)cc1;CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC","InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3","","2015-07-24","2015-09-04","methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate","2015-09-09"],["54W","N-(2-phenylethyl)acetamide","C10 H13 N O","c1(ccccc1)CCNC(=O)C;CC(=O)NCCc1ccccc1;CC(=O)NCCc1ccccc1","InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)","","2015-07-24","2015-09-04","N-(2-phenylethyl)acetamide","2015-09-09"],["F6H","3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-allo-heptitol","C12 H18 F N2 O8 P","O=P(O)(O)OC(C2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O)C;C[CH](O[P](O)(O)=O)[CH]1OC[CH]([CH](F)[CH]1O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2COC(C(C2F)O)C(C)OP(=O)(O)O","InChI=1S/C12H18FN2O8P/c1-5-3-15(12(18)14-11(5)17)7-4-22-10(9(16)8(7)13)6(2)23-24(19,20)21/h3,6-10,16H,4H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t6-,7-,8+,9+,10-/m1/s1","","2012-01-11","2012-02-03","3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-allo-heptitol",""],["54X","5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one","C10 H6 N2 O S2","O=C1N=CNc2scc(c12)c3cccs3;O=C1N=CNc2scc(c3sccc3)c12;c1cc(sc1)c2csc3c2C(=O)N=CN3","InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)","","2015-07-24","2016-01-29","5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one","2016-02-03"],["F6I","(4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C18 H15 F3 N6 O3 S","O=C(Nc1nnn[NH]1)C1CN(Cc2ccccc12)S(=O)(=O)c1cc(ccc1)C(F)(F)F;FC(F)(F)c1cccc(c1)[S](=O)(=O)N2C[CH](C(=O)Nc3[nH]nnn3)c4ccccc4C2;c1ccc2c(c1)CN(CC2C(=O)Nc3[nH]nnn3)S(=O)(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-5-3-6-13(8-12)31(29,30)27-9-11-4-1-2-7-14(11)15(10-27)16(28)22-17-23-25-26-24-17/h1-8,15H,9-10H2,(H2,22,23,24,25,26,28)/t15-/m1/s1","","2021-12-14","2022-07-01","(4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2022-07-06"],["F6J","2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid","C24 H22 N2 O2","CC(Cc1c(ccc(c1)c2cnc3ncc(cc23)c4ccccc4)C(O)=O)C;CC(C)Cc1cc(ccc1C(O)=O)c2c[nH]c3ncc(cc23)c4ccccc4;CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4","InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28)","","2018-03-05","2018-03-29","2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid","2018-04-04"],["54Y","5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide","C6 H8 Cl N3 O","n1n(C)c(c(C(=O)NC)c1)Cl;CNC(=O)c1cnn(C)c1Cl;CNC(=O)c1cnn(c1Cl)C","InChI=1S/C6H8ClN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11)","","2015-07-25","2015-09-04","5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide","2015-09-09"],["54Z","1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine","C8 H7 Cl F3 N O","c1(Cl)cc(ccc1OC(F)(F)F)CN;NCc1ccc(OC(F)(F)F)c(Cl)c1;c1cc(c(cc1CN)Cl)OC(F)(F)F","InChI=1S/C8H7ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H,4,13H2","","2015-07-26","2016-07-22","1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine","2016-07-27"],["F6K","Homosalinosporamide A - bound form","C16 H24 Cl N O4","C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2;CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCCCl)O","InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1","","2018-06-02","2024-09-27","(2~{R},3~{S},4~{R})-4-(3-chloranylpropyl)-2-[(~{S})-[(1~{S})-cyclohex-2-en-1-yl]-oxidanyl-methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde","2018-08-01"],["F6L","4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid","C32 H34 N O8","CC1(C)c2ccccc2[N+](=C1C=Cc3ccc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)cc3)Cc5ccc(cc5)C(O)=O;CC1(c2ccccc2[N+](=C1C=Cc3ccc(cc3)OC4C(C(C(C(O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C","InChI=1S/C32H33NO8/c1-32(2)23-5-3-4-6-24(23)33(17-20-7-12-21(13-8-20)30(38)39)26(32)16-11-19-9-14-22(15-10-19)40-31-29(37)28(36)27(35)25(18-34)41-31/h3-16,25,27-29,31,34-37H,17-18H2,1-2H3/p+1/b16-11+/t25-,27+,28+,29-,31-/m1/s1","","2020-04-02","2021-02-26","4-[[2-[(~{E})-2-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]methyl]benzoic acid","2021-03-03"],["550","methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate","C24 H24 N2 O5","O=C(NO)C1CC1(C(=O)OC)Cc4ccc(OCc2c3ccccc3nc(c2)C)cc4;COC(=O)[C]1(C[CH]1C(=O)NO)Cc2ccc(OCc3cc(C)nc4ccccc34)cc2;Cc1cc(c2ccccc2n1)COc3ccc(cc3)CC4(CC4C(=O)NO)C(=O)OC","InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1","","2008-09-10","2011-06-04","methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate",""],["551","methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate","C20 H23 Cl N2 O3","C(=O)(CC(=O)NCCCNCc1cc(c(cc1)c2ccccc2)Cl)OC;COC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2;COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2","InChI=1S/C20H23ClN2O3/c1-26-20(25)13-19(24)23-11-5-10-22-14-15-8-9-17(18(21)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3,(H,23,24)","","2015-07-27","2016-11-25","methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate","2016-11-30"],["F6M","N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide","C29 H38 N8 O2","CCCNc1nc(Nc2ccc(cc2)C#N)ncc1C#CCCCNC(=O)[CH](C)N(C)C(=O)C=CCN(C)C;CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)C(C)N(C)C(=O)C=CCN(C)C","InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1","","2017-01-24","2024-09-27","~{N}-[(2~{S})-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-~{N}-methyl-but-2-enamide","2018-01-24"],["F6N","2-(aminomethyl)-1,3-oxazole-4-carboxylic acid","C5 H6 N2 O3","NCc1occ(n1)C(O)=O;c1c(nc(o1)CN)C(=O)O","InChI=1S/C5H6N2O3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)","","2018-06-04","2024-09-27","2-(aminomethyl)-1,3-oxazole-4-carboxylic acid","2019-01-30"],["552","(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one","C19 H17 Cl F N3 O3","Fc1ccc(cc1)COC3=NC(Cl)=C2C=CC(N2C3=O)C(=O)N4CCCC4;Fc1ccc(COC2=NC(=C3C=C[CH](N3C2=O)C(=O)N4CCCC4)Cl)cc1;c1cc(ccc1COC2=NC(=C3C=CC(N3C2=O)C(=O)N4CCCC4)Cl)F","InChI=1S/C19H17ClFN3O3/c20-16-14-7-8-15(18(25)23-9-1-2-10-23)24(14)19(26)17(22-16)27-11-12-3-5-13(21)6-4-12/h3-8,15H,1-2,9-11H2/t15-/m0/s1","","2008-07-01","2011-06-04","(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one",""],["553","(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","C13 H14 F N5 O","O=C2c1cc(nc1C(CN2)CCF)c3nc(ncc3)N;Nc1nccc(n1)c2[nH]c3[CH](CCF)CNC(=O)c3c2;c1cnc(nc1c2cc3c([nH]2)C(CNC3=O)CCF)N","InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1","","2008-07-18","2011-06-04","(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",""],["F6O","N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","C29 H40 N8 O3 S","COc1cc(ccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5;CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C","InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)","","2020-04-03","2020-09-25","~{N}4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine","2020-09-30"],["F6P","6-O-phosphono-beta-D-fructofuranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)(CO)C(O)C1O;OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1","FRUCTOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-fructose; 6-O-phosphono-D-fructose; 6-O-phosphono-fructose","1999-07-08","2020-07-17","6-O-phosphono-beta-D-fructofuranose",""],["554","(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid","C12 H20 N2 O7","O[CH](CCN[CH](CCN1CC[CH]1C(O)=O)C(O)=O)C(O)=O;C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O","InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1","","2022-02-02","2022-11-25","(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid","2022-11-30"],["F6Q","N,N-pyridylbenzimidazole derivative-Pd complex","C15 H15 Cl2 N3 O3 Pd S","O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pd]3(Cl)Cl;c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O","InChI=1S/C15H15N3O3S.2ClH.Pd/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2","","2018-06-04","2018-07-20","","2018-07-25"],["555","4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME","C17 H13 N O2","Oc3ccc(c1ccc(C=NO)c2c1cccc2)cc3;ON=Cc1ccc(c2ccc(O)cc2)c3ccccc13;c1ccc2c(c1)c(ccc2c3ccc(cc3)O)C=NO","InChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+","","2006-11-14","2011-06-04","4-(4-hydroxyphenyl)naphthalene-1-carbaldehyde oxime",""],["556","3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole","C10 H10 N2 S","n1cc(n2c1CCC2)c3sccc3;C1Cn2c(C1)ncc2c3sccc3;c1cc(sc1)c2cnc3n2CCC3","InChI=1S/C10H10N2S/c1-4-10-11-7-8(12(10)5-1)9-3-2-6-13-9/h2-3,6-7H,1,4-5H2","","2013-12-12","2013-12-20","3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole","2013-12-25"],["F6R","FRUCTOSE -6-PHOSPHATE","C6 H13 O9 P","C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O;OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1","","2005-02-21","2024-09-27","6-O-phosphono-D-fructose",""],["557","N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide","C17 H22 F3 N3 O3 S","O=S(=O)(NCC(c1ccc(cc1)n2nc(c(c2)CO)C(F)(F)F)C)C(C)C;CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)n2cc(CO)c(n2)C(F)(F)F;CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO","InChI=1S/C17H22F3N3O3S/c1-11(2)27(25,26)21-8-12(3)13-4-6-15(7-5-13)23-9-14(10-24)16(22-23)17(18,19)20/h4-7,9,11-12,21,24H,8,10H2,1-3H3/t12-/m1/s1","(R)-N-(2-(4-(4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)propyl)propane-2-sulfonamide","2010-11-23","2020-06-17","N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide",""],["F6T","(3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide","C18 H17 F2 N3 O2","C[CH](CC(=O)NCc1ccc2NC(=O)Nc2c1)c3c(F)cccc3F;CC(CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F","InChI=1S/C18H17F2N3O2/c1-10(17-12(19)3-2-4-13(17)20)7-16(24)21-9-11-5-6-14-15(8-11)23-18(25)22-14/h2-6,8,10H,7,9H2,1H3,(H,21,24)(H2,22,23,25)/t10-/m0/s1","","2018-06-04","2018-12-28","(3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide","2019-01-02"],["F6U","[(2R,3R)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate","C11 H17 N6 O6 P","C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12;CC(C(CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O","InChI=1S/C11H17N6O6P/c1-6(23-24(20,21)22)7(3-18)16-8(19)2-17-5-15-9-10(12)13-4-14-11(9)17/h4-7,18H,2-3H2,1H3,(H,16,19)(H2,12,13,14)(H2,20,21,22)/t6-,7-/m1/s1","","2020-04-03","2020-11-20","[(2~{R},3~{R})-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate","2020-11-25"],["558","5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine","C23 H21 Cl N6","c1cc(N)ncc1c3cc2N(CC(c4n(c2cc3)c(C)nn4)C)c5ccc(Cl)cc5;C[CH]1CN(c2ccc(Cl)cc2)c3cc(ccc3n4c(C)nnc14)c5ccc(N)nc5;Cc1nnc2n1-c3ccc(cc3N(CC2C)c4ccc(cc4)Cl)c5ccc(nc5)N","InChI=1S/C23H21ClN6/c1-14-13-29(19-7-5-18(24)6-8-19)21-11-16(17-4-10-22(25)26-12-17)3-9-20(21)30-15(2)27-28-23(14)30/h3-12,14H,13H2,1-2H3,(H2,25,26)/t14-/m1/s1","","2015-03-27","2015-04-03","5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine","2015-04-08"],["F6W","4-(2-phenylethylsulfanyl)benzenesulfonamide","C14 H15 N O2 S2","N[S](=O)(=O)c1ccc(SCCc2ccccc2)cc1;c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)","","2018-06-05","2018-09-28","4-(2-phenylethylsulfanyl)benzenesulfonamide","2018-10-03"],["559","5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine","C23 H21 Cl N6","c1c(cnc(c1)N)c2ccc3c(c2)N(CC(c4n3c(C)nn4)C)c5ccc(cc5)Cl;C[CH]1CN(c2ccc(Cl)cc2)c3cc(ccc3n4c(C)nnc14)c5ccc(N)nc5;Cc1nnc2n1-c3ccc(cc3N(CC2C)c4ccc(cc4)Cl)c5ccc(nc5)N","InChI=1S/C23H21ClN6/c1-14-13-29(19-7-5-18(24)6-8-19)21-11-16(17-4-10-22(25)26-12-17)3-9-20(21)30-15(2)27-28-23(14)30/h3-12,14H,13H2,1-2H3,(H2,25,26)/t14-/m0/s1","","2015-03-30","2015-04-03","5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine","2015-04-08"],["F6X","[(2R,3R)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate","C10 H17 N4 O7 P","C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)CN1C=CC(=NC1=O)N;CC(C(CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O","InChI=1S/C10H17N4O7P/c1-6(21-22(18,19)20)7(5-15)12-9(16)4-14-3-2-8(11)13-10(14)17/h2-3,6-7,15H,4-5H2,1H3,(H,12,16)(H2,11,13,17)(H2,18,19,20)/t6-,7-/m1/s1","","2020-04-03","2020-11-20","[(2~{R},3~{R})-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate","2020-11-25"],["55A","N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide","C30 H42 N4 O5 S2","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)CC)S(=O)(=O)c2ccc3ncsc3c2)CC(C)C)C;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(C)=O)[S](=O)(=O)c2ccc3ncsc3c2;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3","InChI=1S/C30H42N4O5S2/c1-6-21(4)17-34(41(38,39)24-12-13-25-29(16-24)40-19-31-25)18-28(36)26(15-23-10-8-7-9-11-23)33-30(37)27(14-20(2)3)32-22(5)35/h7-13,16,19-21,26-28,36H,6,14-15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t21-,26-,27-,28+/m0/s1","","2011-06-06","2012-06-01","N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide",""],["F6Y","3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID","C21 H12 O7","O=C(O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc(O)ccc23)cc5;OC(=O)c1ccc2C(=O)O[C]3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1;c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O","InChI=1S/C21H12O7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h1-9,22-23H,(H,24,25)","","2010-07-30","2011-06-04","3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid",""],["55B","4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol","C11 H14 O4","COc1cc(cc(c1O)OC)C=CCO;COc1cc(C=CCO)cc(OC)c1O;COc1cc(cc(c1O)OC)C=CCO","InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+","Sinapyl alcohol; sinapoyl alcohol","2015-07-27","2020-05-26","4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol","2015-09-16"],["55C","2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid","C21 H17 N O3","c31ccccc1cc(C(=CC(Nc2ccccc2C(O)=O)=O)C)cc3;CC(=CC(=O)Nc1ccccc1C(O)=O)c2ccc3ccccc3c2;CC(=CC(=O)Nc1ccccc1C(=O)O)c2ccc3ccccc3c2","InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+","BIBR 1532","2015-07-27","2021-03-01","2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid","2015-09-09"],["F6Z","3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID","C21 H12 O7","O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34;OC(=O)c1ccc2c(c1)C(=O)O[C]23c4ccc(O)cc4Oc5cc(O)ccc35;c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O","InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)","","2010-07-30","2025-05-21","3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid",""],["55D","2-(butanoylamino)thiophene-3-carboxamide","C9 H12 N2 O2 S","O=C(CCC)Nc1sccc1C(N)=O;CCCC(=O)Nc1sccc1C(N)=O;CCCC(=O)Nc1c(ccs1)C(=O)N","InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)","","2015-07-28","2016-01-29","2-(butanoylamino)thiophene-3-carboxamide","2016-02-03"],["F70","cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate","C18 H11 N O4","O=C(OCC#N)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;O=C(OCC#N)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N","InChI=1S/C18H11NO4/c19-9-10-22-18(21)13-7-5-12(6-8-13)17-11-15(20)14-3-1-2-4-16(14)23-17/h1-8,11H,10H2","","2013-06-18","2013-10-25","cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate","2013-10-30"],["F71","3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide","C29 H33 N3 O6 S2","O=S(=O)(c2sc(c1oncc1)cc2)N(CC(C)CC)CC(O)C(NC(=O)c3cccc(O)c3)Cc4ccccc4;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)[S](=O)(=O)c3sc(cc3)c4oncc4;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4","InChI=1S/C29H33N3O6S2/c1-3-20(2)18-32(40(36,37)28-13-12-27(39-28)26-14-15-30-38-26)19-25(34)24(16-21-8-5-4-6-9-21)31-29(35)22-10-7-11-23(33)17-22/h4-15,17,20,24-25,33-34H,3,16,18-19H2,1-2H3,(H,31,35)/t20-,24-,25+/m0/s1","","2011-06-06","2012-06-01","3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide",""],["55E","4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one","C17 H14 N2 O2","O=C2N=C(c1ccccc1)CC(=N2)c3ccc(O)c(c3)C;Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3;Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3","InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3","","2008-06-09","2011-06-04","4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one",""],["55F","N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide","C19 H15 F N6 O","O=C(Nc3nc(c(c2cc1nccnc1cc2)n3)c4nc(c(F)cc4)C)C;CC(=O)Nc1[nH]c(c2ccc3nccnc3c2)c(n1)c4ccc(F)c(C)n4;Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F","InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)","","2008-11-19","2011-06-04","N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide",""],["F72","N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide","C31 H35 N3 O5 S2","O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC3CCCCC3)S(=O)(=O)c4ccc5ncsc5c4;O[CH](CN(CC1CCCCC1)[S](=O)(=O)c2ccc3ncsc3c2)[CH](Cc4ccccc4)NC(=O)c5cccc(O)c5;c1ccc(cc1)CC(C(CN(CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O","InChI=1S/C31H35N3O5S2/c35-25-13-7-12-24(17-25)31(37)33-28(16-22-8-3-1-4-9-22)29(36)20-34(19-23-10-5-2-6-11-23)41(38,39)26-14-15-27-30(18-26)40-21-32-27/h1,3-4,7-9,12-15,17-18,21,23,28-29,35-36H,2,5-6,10-11,16,19-20H2,(H,33,37)/t28-,29+/m0/s1","","2011-06-06","2012-06-01","N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide",""],["F73","[(2R,3R)-3-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate","C11 H17 N6 O7 P","C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N;CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O","InChI=1S/C11H17N6O7P/c1-5(24-25(21,22)23)6(3-18)14-7(19)2-17-4-13-8-9(17)15-11(12)16-10(8)20/h4-6,18H,2-3H2,1H3,(H,14,19)(H2,21,22,23)(H3,12,15,16,20)/t5-,6-/m1/s1","","2020-04-03","2020-11-20","[(2~{R},3~{R})-3-[2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate","2020-11-25"],["55G","4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","C20 H13 N5 O S","O=C1Nc5c(C(=C1)c2ccccc2)c(c3cnc(s3)c4cnccc4)nn5;O=C1Nc2n[nH]c(c3sc(nc3)c4cccnc4)c2C(=C1)c5ccccc5;c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5","InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)","","2015-07-28","2016-01-29","4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","2016-02-03"],["F74","8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)","C10 H13 Cl N5 O7 P","C1(=O)c2c(NC(=N1)N)n(c(n2)Cl)C3CC(C(COP(O)(O)=O)O3)O;NC1=NC(=O)c2nc(Cl)n([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2N1;C1C(C(OC1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O","InChI=1S/C10H13ClN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1","","2018-03-08","2019-03-01","8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)","2019-03-06"],["55H","3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","C14 H9 N5 O S","O=C1Nc4c(C=C1)c(c3sc(c2cnccc2)nc3)nn4;O=C1Nc2n[nH]c(c3sc(nc3)c4cccnc4)c2C=C1;c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4","InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)","","2015-07-28","2016-01-29","3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","2016-02-03"],["F75","2-(aminomethyl)-1,3-thiazole-4-carboxylic acid","C5 H6 N2 O2 S","NCc1scc(n1)C(O)=O;c1c(nc(s1)CN)C(=O)O","InChI=1S/C5H6N2O2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)","","2018-06-05","2024-09-27","2-(aminomethyl)-1,3-thiazole-4-carboxylic acid","2019-01-30"],["55I","4-(trifluoromethyl)-L-phenylalanine","C10 H10 F3 N O2","FC(F)(F)c1ccc(CC(N)C(=O)O)cc1;N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(F)(F)F","InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1","","2021-07-16","2024-09-27","4-(trifluoromethyl)-L-phenylalanine","2021-09-29"],["55J","1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine","C24 H16 F6 N6 O","c25nc(Nc1ccc(cc1)C(F)(F)F)n(c2ccc(Oc4cc(c3ncc(n3)C(F)(F)F)ncc4)c5)C;Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F)ccc13;Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F","InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)","","2015-07-28","2015-09-04","1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine","2015-09-09"],["F76","2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate","C23 H23 N3 O5 S","O=S(=O)(N)c1ccc(cc1)NC(=O)COC(=O)c2c4c(nc3ccccc23)CCCCC4;N[S](=O)(=O)c1ccc(NC(=O)COC(=O)c2c3CCCCCc3nc4ccccc24)cc1;c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C23H23N3O5S/c24-32(29,30)16-12-10-15(11-13-16)25-21(27)14-31-23(28)22-17-6-2-1-3-8-19(17)26-20-9-5-4-7-18(20)22/h4-5,7,9-13H,1-3,6,8,14H2,(H,25,27)(H2,24,29,30)","","2013-07-30","2014-08-01","2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate","2014-08-06"],["55K","1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid","C20 H22 N2 O5 S","C1C(CCC1)(C(O)=O)CNS(=O)(c2c4c3c(cc2)N(C(c3ccc4)=O)CC)=O;CCN1C(=O)c2cccc3c2c1ccc3[S](=O)(=O)NCC4(CCCC4)C(O)=O;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O","InChI=1S/C20H22N2O5S/c1-2-22-15-8-9-16(13-6-5-7-14(17(13)15)18(22)23)28(26,27)21-12-20(19(24)25)10-3-4-11-20/h5-9,21H,2-4,10-12H2,1H3,(H,24,25)","","2015-07-29","2016-01-08","1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid","2016-01-13"],["F77","3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID","C16 H16 F N O4 S","O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2;CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C;CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F","InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)","3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID","2007-02-06","2021-03-01","3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid",""],["55L","(R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate","C30 H31 Cl N4 O10","O=C(O)CCC(C(=O)N)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1onc(c1)c2ccc(cc2)c3cccc(c3)Cl)CC(O)=O;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CC(O)=O)Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C30H31ClN4O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(45-35-24)13-19(14-27(40)41)29(43)34-23(9-11-26(38)39)30(44)33-22(28(32)42)8-10-25(36)37/h1-7,12,15,19,22-23H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,36,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1","","2015-07-29","2016-08-05","N-[(2R)-3-carboxy-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine","2016-08-10"],["F78","3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide","C33 H36 N2 O6 S","O=S(=O)(N(CCCc1ccccc1)CC(O)C(NC(=O)c2cccc(O)c2)Cc3ccccc3)c4ccc(OC)cc4;COc1ccc(cc1)[S](=O)(=O)N(CCCc2ccccc2)C[CH](O)[CH](Cc3ccccc3)NC(=O)c4cccc(O)c4;COc1ccc(cc1)S(=O)(=O)N(CCCc2ccccc2)CC(C(Cc3ccccc3)NC(=O)c4cccc(c4)O)O","InChI=1S/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/m0/s1","","2011-06-06","2012-06-01","3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide",""],["F79","2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID","C17 H19 F N2 O5 S","Fc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)O)c(OCCN)c(cc2)CC;CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCCN;CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F","InChI=1S/C17H19FN2O5S/c1-2-11-3-8-14(15(17(21)22)16(11)25-10-9-19)20-26(23,24)13-6-4-12(18)5-7-13/h3-8,20H,2,9-10,19H2,1H3,(H,21,22)","","2007-02-06","2011-06-04","2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid",""],["55M","(4R)-4-[(1R)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one","C20 H21 N3 O4 S","c24c(cc(c1cc(c(OC)cc1)OC)nc2OC(C3CNC(C3)=O)C)ncs4;COc1ccc(cc1OC)c2cc3ncsc3c(O[CH](C)[CH]4CNC(=O)C4)n2;CC(C1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3","InChI=1S/C20H21N3O4S/c1-11(13-7-18(24)21-9-13)27-20-19-15(22-10-28-19)8-14(23-20)12-4-5-16(25-2)17(6-12)26-3/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,21,24)/t11-,13-/m1/s1","","2015-07-29","2015-09-18","(4R)-4-[(1R)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one","2015-09-23"],["F7A","N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide","C20 H14 F3 N O2","FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c2;c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F","InChI=1S/C20H14F3NO2/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-14-7-6-10-16(13-14)26-15-8-2-1-3-9-15/h1-13H,(H,24,25)","","2010-02-22","2011-06-04","N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide",""],["55N","(2R,4R)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid","C10 H19 N O4","N(C(C(C)C)CC(OC(C)=O)C(O)=O)C;CN[CH](C[CH](OC(C)=O)C(O)=O)C(C)C;CC(C)C(CC(C(=O)O)OC(=O)C)NC","InChI=1S/C10H19NO4/c1-6(2)8(11-4)5-9(10(13)14)15-7(3)12/h6,8-9,11H,5H2,1-4H3,(H,13,14)/t8-,9-/m1/s1","","2015-07-30","2016-07-22","(2R,4R)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid","2016-07-27"],["F7B","6-chloranyl-2,3-dihydrothiochromen-4-one","C9 H7 Cl O S","Clc1ccc2SCCC(=O)c2c1;c1cc2c(cc1Cl)C(=O)CCS2","InChI=1S/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2","","2018-06-06","2018-08-03","6-chloranyl-2,3-dihydrothiochromen-4-one","2018-08-08"],["55P","(2R,4R)-4-amino-2-methyl-5-phenylpentanoic acid","C12 H17 N O2","NC(CC(C(=O)O)C)Cc1ccccc1;C[CH](C[CH](N)Cc1ccccc1)C(O)=O;CC(CC(Cc1ccccc1)N)C(=O)O","InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11-/m1/s1","","2015-07-30","2016-07-22","(2R,4R)-4-amino-2-methyl-5-phenylpentanoic acid","2016-07-27"],["55Q","(2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid","C38 H57 N5 O7 S","N1(CCCCC1C(=O)NC(C(N(C(C(C)C)CC(OC(C)=O)c3nc(C(=O)NC(CC(C(=O)O)C)Cc2ccccc2)cs3)C)=O)C(CC)C)C;CC[CH](C)[CH](NC(=O)[CH]1CCCCN1C)C(=O)N(C)[CH](C[CH](OC(C)=O)c2scc(n2)C(=O)N[CH](C[CH](C)C(O)=O)Cc3ccccc3)C(C)C;CCC(C)C(C(=O)N(C)C(CC(c1nc(cs1)C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","InChI=1S/C38H57N5O7S/c1-9-24(4)33(41-35(46)30-17-13-14-18-42(30)7)37(47)43(8)31(23(2)3)21-32(50-26(6)44)36-40-29(22-51-36)34(45)39-28(19-25(5)38(48)49)20-27-15-11-10-12-16-27/h10-12,15-16,22-25,28,30-33H,9,13-14,17-21H2,1-8H3,(H,39,45)(H,41,46)(H,48,49)/t24-,25-,28-,30+,31-,32-,33-/m1/s1","Tubulysin M","2015-07-30","2021-03-01","(2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid","2016-07-27"],["F7C","(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid","C4 H4 O6","O[CH](C(O)=O)C(=O)C(O)=O;C(C(=O)C(=O)O)(C(=O)O)O","InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)/t1-/m0/s1","","2020-04-06","2024-09-27","(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid","2020-07-15"],["F7D","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C19 H15 F2 N5 O2","c12N(CC#C)C(=O)C(C)N(CC#C)c1nc(nc2)Nc3cc(F)c(O)c(c3)F;C[CH]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#C)C1=O;CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C","InChI=1S/C19H15F2N5O2/c1-4-6-25-11(3)18(28)26(7-5-2)15-10-22-19(24-17(15)25)23-12-8-13(20)16(27)14(21)9-12/h1-2,8-11,27H,6-7H2,3H3,(H,22,23,24)/t11-/m1/s1","","2018-03-08","2018-03-16","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2018-03-21"],["55R","2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid","C13 H10 N2 O3","O=C(O)c2c(N/N=C1/C=CC(=O)C=C1)cccc2;OC(=O)c1ccccc1NN=C2C=CC(=O)C=C2;c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2","InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,15H,(H,17,18)","","2015-07-30","2016-03-18","2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid","2016-03-23"],["55S","6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine","C20 H25 N5 O3 S","c4c(Nc3nc1ncnc1c(OCC2CCCCC2)n3)ccc(c4)S(=O)(CC)=O;CC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1;CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3","InChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25)","","2015-07-30","2024-09-27","6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine","2015-09-16"],["F7E","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate","C16 H23 N5 O15 P2","C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)C1=O;CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O","InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1","","2018-06-06","2018-07-13","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate","2018-07-18"],["F7F","3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE","C17 H21 N4 O10 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34ON4c2cc1C;Cc1cc2c(cc1C)N3C4(O3)C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H21N4O10P/c1-7-3-9-10(4-8(7)2)21-17(31-21)14(18-16(26)19-15(17)25)20(9)5-11(22)13(24)12(23)6-30-32(27,28)29/h3-4,11-13,22-24H,5-6H2,1-2H3,(H,19,25,26)(H2,27,28,29)/t11-,12+,13-,17+,21+/m1/s1","","2020-04-06","2020-07-10","","2020-07-15"],["55T","5'-O-[(R)-[(S)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine","C18 H24 N4 O12 P2","N1(C=CC(=NC1=O)N)C2C(C(C(O2)COP(=O)(O)OC(P(O)(=O)O)c3cc(ccc3)NC(C)=O)O)O;CC(=O)Nc1cccc(c1)[CH](O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N)[P](O)(O)=O;CC(=O)Nc1cccc(c1)C(OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O","InChI=1S/C18H24N4O12P2/c1-9(23)20-11-4-2-3-10(7-11)17(35(27,28)29)34-36(30,31)32-8-12-14(24)15(25)16(33-12)22-6-5-13(19)21-18(22)26/h2-7,12,14-17,24-25H,8H2,1H3,(H,20,23)(H,30,31)(H2,19,21,26)(H2,27,28,29)/t12-,14-,15-,16-,17+/m1/s1","","2015-07-30","2016-09-02","5'-O-[(R)-[(S)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine","2016-09-07"],["55U","N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine","C19 H23 N5","c3(c1ccc(N(C)C)cc1)cc2c(cccn2)c(n3)NCCCN;CN(C)c1ccc(cc1)c2cc3ncccc3c(NCCCN)n2;CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN","InChI=1S/C19H23N5/c1-24(2)15-8-6-14(7-9-15)17-13-18-16(5-3-11-21-18)19(23-17)22-12-4-10-20/h3,5-9,11,13H,4,10,12,20H2,1-2H3,(H,22,23)","","2015-07-30","2015-09-11","N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine","2015-09-16"],["F7H","4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one","C13 H17 N3 O4","CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)O)O","InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1","","2018-06-06","2019-05-06","4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one","2018-06-13"],["F7I","~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide","C24 H23 N5 O3","O=C(NCc1ccccc1)c2ccc3cc2OCCOCCNc4ccn5ncc3c5n4;c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4","InChI=1S/C24H23N5O3/c30-24(26-15-17-4-2-1-3-5-17)19-7-6-18-14-21(19)32-13-12-31-11-9-25-22-8-10-29-23(28-22)20(18)16-27-29/h1-8,10,14,16H,9,11-13,15H2,(H,25,28)(H,26,30)","","2022-01-19","2022-08-22","~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide","2022-02-02"],["55V","6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine","C19 H24 N4 O3","C(#CC(c1cc(OC)c(OC)c(OC)c1)(C)C)c2c(nc(nc2C)N)N;COc1cc(cc(OC)c1OC)C(C)(C)C#Cc2c(C)nc(N)nc2N;Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC","InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)","2,4-Diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine","2009-01-13","2020-06-17","6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine",""],["55W","1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid","C26 H26 N7 O4 P","c1c(ccc(c1)n3cc(C(=O)O)c(NP(OC)(=O)c2ccc(C)cc2C)n3)c5cc4n(c(N)cc(C)n4)n5;CO[P](=O)(Nc1nn(cc1C(O)=O)c2ccc(cc2)c3cc4nc(C)cc(N)n4n3)c5ccc(C)cc5C;Cc1ccc(c(c1)C)P(=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC","InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)/t38-/m1/s1","","2015-07-31","2016-06-10","1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid","2016-06-15"],["F7J","3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide","C29 H32 N4 O2","N(C(c1cccc(c1)C#N)=O)c5ccc2c(c(cn2C)C4CCN(C(C3CCCC3)=O)CC4)c5C;Cn1cc(C2CCN(CC2)C(=O)C3CCCC3)c4c(C)c(NC(=O)c5cccc(c5)C#N)ccc14;Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N","InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34)","","2018-03-08","2018-08-31","3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide","2018-09-05"],["F7K","2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one","C13 H15 N5 O4","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O)[CH]4O3;c1nc2c(n1C3CC4(CC5CC5(C4O3)O)O)N=C(NC2=O)N","InChI=1S/C13H15N5O4/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,21)10(12)22-6/h4-6,10,20-21H,1-3H2,(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1","","2018-06-07","2019-05-06","2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one","2018-06-13"],["55X","S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12\n-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl}\n(2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta\n[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)","C48 H75 N7 O15 P2 S","C(SC(C(C)CCCC(C)C4CCC3C4(CCC2C1(CCC(=O)C=C1CCC23)C)C)=O)CNC(=O)CCNC(=O)C(O)C(COP(OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(O)(=O)O)(O)=O)(C)C;C[CH](CCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](O)(=O)OCC1OC(C(O)C1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH]4CC[CH]5[CH]6CCC7=CC(=O)CC[C]7(C)[CH]6CC[C]45C;CC(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C","InChI=1S/C48H75N7O15P2S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)73-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-68-72(65,66)67-23-35-39(70-71(62,63)64)38(58)44(69-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35?,38?,39?,40?,44?,47+,48-/m1/s1","S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxi\ndo-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl}\n(2S,6R)-6-[(8S,9S,10R,13R,14R,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta\n[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)","2015-07-31","2020-06-17","S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)","2016-02-17"],["55Y","(5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one","C16 H16 N4 O3 S","n4(ncc(c3cc1nscc1c(OC(C2OC(NC2)=O)C)c3)c4)C;C[CH](Oc1cc(cc2nscc12)c3cnn(C)c3)[CH]4CNC(=O)O4;CC(C1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C","InChI=1S/C16H16N4O3S/c1-9(15-6-17-16(21)23-15)22-14-4-10(11-5-18-20(2)7-11)3-13-12(14)8-24-19-13/h3-5,7-9,15H,6H2,1-2H3,(H,17,21)/t9-,15-/m1/s1","","2015-07-31","2015-09-18","(5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one","2015-09-23"],["F7L","(2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol","C14 H20 F N O2","Fc1ccccc1COCC(O)CN2CCCC2;O[CH](COCc1ccccc1F)CN2CCCC2;c1ccc(c(c1)COCC(CN2CCCC2)O)F","InChI=1S/C14H20FNO2/c15-14-6-2-1-5-12(14)10-18-11-13(17)9-16-7-3-4-8-16/h1-2,5-6,13,17H,3-4,7-11H2/t13-/m0/s1","","2010-11-18","2011-10-28","(2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol",""],["F7M","4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide","C28 H31 N5 O2","c1n(c4c(c1C3CCN(C(C2CCCCC2)=O)CC3)cc(cc4)NC(=O)c5cc(ccn5)C#N)C;Cn1cc(C2CCN(CC2)C(=O)C3CCCCC3)c4cc(NC(=O)c5cc(ccn5)C#N)ccc14;Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5","InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)","","2018-03-08","2018-08-31","4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide","2018-09-05"],["55Z","5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide","C24 H30 N6 O3 S2","CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3;CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N","InChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32)","","2021-08-19","2021-09-24","5-azanyl-~{N}-~{tert}-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide","2021-09-29"],["560","5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine","C24 H25 N5 O2","CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)c1ccc(CN)cc1;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2)c4ccc(CN)cc4;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CN","InChI=1S/C24H25N5O2/c1-3-20-18(23(26)29-24(27)28-20)9-4-14(2)17-10-19(22-21(11-17)30-13-31-22)16-7-5-15(12-25)6-8-16/h5-8,10-11,14H,3,12-13,25H2,1-2H3,(H4,26,27,28,29)/t14-/m0/s1","","2021-07-16","2022-05-20","5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine","2022-05-25"],["F7N","[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium","C24 H35 F3 N3 O3","CO[CH]1COCC[CH]1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F;CC(C)C1(CCC(C1)[NH2+]C2CCOCC2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3","InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/p+1/t18-,20+,21-,23+/m1/s1","","2018-06-07","2018-12-28","[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium","2019-01-02"],["F7O","[(2R)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","C10 H15 N6 O6 P","Nc1ncnc2n(CC(=O)N[CH](CO)CO[P](O)(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CC(=O)NC(CO)COP(=O)(O)O)N","InChI=1S/C10H15N6O6P/c11-9-8-10(13-4-12-9)16(5-14-8)1-7(18)15-6(2-17)3-22-23(19,20)21/h4-6,17H,1-3H2,(H,15,18)(H2,11,12,13)(H2,19,20,21)/t6-/m1/s1","","2020-04-07","2020-11-20","[(2~{R})-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","2020-11-25"],["561","6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-YL}-1-BENZOFURAN-5-CARBOXYLIC ACID","C25 H24 N4 O5","O=C(Nc2c1ccccc1ccc2)CCCN5NNC(c3c4cc(c(O)cc4oc3)C(=O)O)C5;OC(=O)c1cc2c(occ2[CH]3CN(CCCC(=O)Nc4cccc5ccccc45)NN3)cc1O;c1ccc2c(c1)cccc2NC(=O)CCCN3CC(NN3)c4coc5c4cc(c(c5)O)C(=O)O","InChI=1S/C25H24N4O5/c30-22-12-23-17(11-18(22)25(32)33)19(14-34-23)21-13-29(28-27-21)10-4-9-24(31)26-20-8-3-6-15-5-1-2-7-16(15)20/h1-3,5-8,11-12,14,21,27-28,30H,4,9-10,13H2,(H,26,31)(H,32,33)/t21-/m0/s1","","2007-06-21","2011-06-04","6-hydroxy-3-{(4R)-1-[4-(naphthalen-1-ylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid",""],["F7P","1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan","C16 H22 N2 O3","C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C;C[CH](O)C(C)(C)n1cc(C[CH](N)C(O)=O)c2ccccc12;CC(C(C)(C)n1cc(c2c1cccc2)CC(C(=O)O)N)O","InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1","","2018-03-09","2024-09-27","1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan","2019-06-05"],["562","N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine","C12 H26 N7 O4","NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O;N[CH](CCCNC(=N)NCCOCCOCCN=[N+]=N)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NCCOCCOCCN=[N+]=N","InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1","","2015-07-31","2024-09-27","N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine","2018-03-14"],["563","N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide","C22 H26 N8 O2","c2(cc(Nc1cc(nn1)C)nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C;CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Oc4ccc(NC(=O)C=C)cc4)n2;Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C","InChI=1S/C22H26N8O2/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h4-8,13-14H,1,9-12H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)","","2015-08-03","2015-08-28","N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide","2015-09-02"],["F7Q","(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid","C9 H11 N O5","N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O;C1=CC(C=CC1=O)(CC(C(=O)O)N)OO","InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1","","2018-06-07","2024-09-27","(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid","2019-02-27"],["564","6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID","C26 H26 O3","O=C(O)c2ccc1cc(ccc1c2)C(=O)c3ccc4c(c3)C(CCC4(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c3ccc4cc(ccc4c3)C(O)=O;CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C","InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)","CD564","2000-08-08","2021-03-01","6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid",""],["F7R","[(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","C9 H15 N4 O7 P","NC1=NC(=O)N(CC(=O)N[CH](CO)CO[P](O)(O)=O)C=C1;C1=CN(C(=O)N=C1N)CC(=O)NC(CO)COP(=O)(O)O","InChI=1S/C9H15N4O7P/c10-7-1-2-13(9(16)12-7)3-8(15)11-6(4-14)5-20-21(17,18)19/h1-2,6,14H,3-5H2,(H,11,15)(H2,10,12,16)(H2,17,18,19)/t6-/m1/s1","","2020-04-07","2020-11-20","[(2~{R})-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","2020-11-25"],["F7S","(4S)-5-hydroxy-N-methyl-L-leucine","C7 H15 N O3","CNC(CC(C)CO)C(O)=O;CN[CH](C[CH](C)CO)C(O)=O;CC(CC(C(=O)O)NC)CO","InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1","","2018-03-09","2024-09-27","(4S)-5-hydroxy-N-methyl-L-leucine","2019-06-05"],["565","(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE","C16 H20 F3 N3 O2","O=C(N1C(C(=O)NCCC1)C)CC(N)Cc2cc(F)c(F)cc2F;C[CH]1N(CCCNC1=O)C(=O)C[CH](N)Cc2cc(F)c(F)cc2F;CC1C(=O)NCCCN1C(=O)CC(Cc2cc(c(cc2F)F)F)N","InChI=1S/C16H20F3N3O2/c1-9-16(24)21-3-2-4-22(9)15(23)7-11(20)5-10-6-13(18)14(19)8-12(10)17/h6,8-9,11H,2-5,7,20H2,1H3,(H,21,24)/t9-,11-/m1/s1","","2006-10-02","2011-06-04","(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one",""],["F7T","alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex","C15 H15 Cl2 N3 O3 Pt S","O=S(=O)(O)CCCn1c2ccccc2[n+]2c1c1cccc[n+]1[Pt]2(Cl)Cl;O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl;c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O","InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2","","2018-06-07","2025-11-11","(SP-4-3)-dichlorido{3-[2-(pyridin-2-yl-kappaN)-1H-1,3-benzimidazol-1-yl-kappaN~3~]propane-1-sulfonato}platinum(2+)","2018-07-25"],["566","(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE","C17 H22 N2 O2","O=C3N(C1CCCCC1)CC(C(=O)Nc2ccccc2)C3;O=C1C[CH](CN1C2CCCCC2)C(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)C2CC(=O)N(C2)C3CCCCC3","InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1","","2006-06-12","2011-06-04","(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide",""],["F7U","2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide","C10 H14 N6 O4","NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1;c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N","InChI=1S/C10H14N6O4/c11-10-14-8-7(9(20)15-10)12-4-16(8)1-6(19)13-5(2-17)3-18/h4-5,17-18H,1-3H2,(H,13,19)(H3,11,14,15,20)","","2020-04-07","2020-11-20","2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[1,3-bis(oxidanyl)propan-2-yl]ethanamide","2020-11-25"],["567","2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid","C26 H31 N7 O7 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC(=O)O)Cc3c2ccccc2nc3)CCC(=O)N;NC(=O)CC[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)CC(O)=O)C(=O)NCc3ccc(cc3)C(N)=N;[H]N=C(c1ccc(cc1)CNC(=O)C(CCC(=O)N)NC(=O)C(Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)N","InChI=1S/C26H31N7O7S/c27-22(34)10-9-20(25(37)31-12-15-5-7-16(8-6-15)24(28)29)32-26(38)21(33-41(39,40)14-23(35)36)11-17-13-30-19-4-2-1-3-18(17)19/h1-8,13,20-21,30,33H,9-12,14H2,(H2,27,34)(H3,28,29)(H,31,37)(H,32,38)(H,35,36)/t20-,21+/m0/s1","","2008-12-18","2011-06-04","N-[(carboxymethyl)sulfonyl]-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide",""],["568","N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]","C34 H40 N2 O9","O=C(NC1CC(OC1)CO)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O;OC[CH]1C[CH](CO1)NC(=O)[CH](OCc2ccccc2)[CH](O)[CH](O)[CH](OCc3ccccc3)C(=O)N[CH]4[CH](O)Cc5ccccc45;c1ccc(cc1)COC(C(C(C(C(=O)NC2c3ccccc3CC2O)OCc4ccccc4)O)O)C(=O)NC5CC(OC5)CO","InChI=1S/C34H40N2O9/c37-17-25-16-24(20-43-25)35-33(41)31(44-18-21-9-3-1-4-10-21)29(39)30(40)32(45-19-22-11-5-2-6-12-22)34(42)36-28-26-14-8-7-13-23(26)15-27(28)38/h1-14,24-25,27-32,37-40H,15-20H2,(H,35,41)(H,36,42)/t24-,25-,27+,28-,29+,30+,31+,32+/m0/s1","","2004-11-02","2011-06-04","(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(3S,5S)-5-(hydroxymethyl)tetrahydrofuran-3-yl]hexanediamide (non-preferred name)",""],["F7V","(2S,4E)-2-aminohex-4-enoic acid","C6 H11 N O2","NC(C(O)=O)CC=CC;CC=CC[CH](N)C(O)=O;CC=CCC(C(=O)O)N","InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m0/s1","","2018-03-09","2024-09-27","(2S,4E)-2-aminohex-4-enoic acid","2019-06-05"],["569","(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one","C21 H15 F4 N5 O2","O=C3N(C(=NC3(c2cc(c1cncnc1)c(F)cc2)c4ccc(OC(F)(F)F)cc4)N)C;CN1C(=N[C](C1=O)(c2ccc(OC(F)(F)F)cc2)c3ccc(F)c(c3)c4cncnc4)N;CN1C(=O)C(N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F","InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1","","2009-08-21","2011-06-04","(5R)-2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one",""],["F7W","7-Fluorotryptophan","C11 H11 F N2 O2","N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O;c1cc2c(c[nH]c2c(c1)F)CC(C(=O)O)N","InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1","","2017-06-09","2024-09-27","(2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid","2018-06-06"],["56A","3-(8-phenyloctyl)-L-histidine","C20 H29 N3 O2","O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2;N[CH](Cc1cncn1CCCCCCCCc2ccccc2)C(O)=O;c1ccc(cc1)CCCCCCCCn2cncc2CC(C(=O)O)N","InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1","","2011-04-29","2024-09-27","3-(8-phenyloctyl)-L-histidine",""],["F7X","[(2R)-2-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","C10 H15 N6 O7 P","NC1=Nc2n(CC(=O)N[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(=O)NC(CO)COP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H15N6O7P/c11-10-14-8-7(9(19)15-10)12-4-16(8)1-6(18)13-5(2-17)3-23-24(20,21)22/h4-5,17H,1-3H2,(H,13,18)(H2,20,21,22)(H3,11,14,15,19)/t5-/m1/s1","","2020-04-07","2020-11-20","[(2~{R})-2-[2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate","2020-11-25"],["F7Z","(1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione","C29 H38 N2 O5","CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[CH]6[CH]12)C5=O)O;CCC1C(CC2C1C3C(O3)C4C2CC5C4CC=CC(=O)NCCCC6C(=O)C(=C(C=C5)O)C(=O)N6)C","InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,10-9+,25-21-/t14-,15-,16-,17+,18-,19-,20+,23+,24-,27-,28+/m1/s1","epoxyikarugamycin","2023-06-29","2023-11-10","","2023-11-15"],["56B","2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C17 H24 N5 O10 P","n2(cc(CNC1C(O)C(O)C=C1)c3c2N=C(N)NC3=O)C4C(O)C(O)C(O4)COP(=O)(O)O;NC1=Nc2n(cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CNC4C=CC(C4O)O","InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1","","2015-08-03","2020-06-27","2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2016-09-28"],["F80","N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine","C19 H25 N5 O","CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1;Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC","InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24)","","2020-04-08","2020-11-06","~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine","2020-11-11"],["56C","N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine","C14 H30 N7 O5","NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N;N[CH](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NCCOCCOCCOCCN=[N+]=N","InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1","","2015-08-03","2024-09-27","N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine","2018-03-14"],["F81","2-bromo-6-methoxyphenol","C7 H7 Br O2","c1(c(cccc1OC)Br)O;COc1cccc(Br)c1O;COc1cccc(c1O)Br","InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3","","2018-03-12","2019-03-15","2-bromo-6-methoxyphenol","2019-03-20"],["56D","(3R)-2-oxo-3-phenylbutanoic acid","C10 H10 O3","O=C(O)C(=O)C(c1ccccc1)C;C[CH](c1ccccc1)C(=O)C(O)=O;CC(c1ccccc1)C(=O)C(=O)O","InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m1/s1","","2013-05-15","2014-05-07","(3R)-2-oxo-3-phenylbutanoic acid","2014-05-07"],["56E","ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate","C10 H13 N O3 S","C(c1csc(c1)C)(=O)NCC(=O)OCC;CCOC(=O)CNC(=O)c1csc(C)c1;CCOC(=O)CNC(=O)c1cc(sc1)C","InChI=1S/C10H13NO3S/c1-3-14-9(12)5-11-10(13)8-4-7(2)15-6-8/h4,6H,3,5H2,1-2H3,(H,11,13)","","2015-08-04","2016-07-29","ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate","2016-08-03"],["F82","2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide","C25 H27 N5 O5","COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc4cnn(c4)C(C)C;CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC","InChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31)","","2018-06-07","2018-09-14","2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide","2018-09-19"],["F83","(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE","C16 H17 Cl N2 O3 S","Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO;OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3;c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO)Cl","InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1","3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE","2006-03-09","2020-06-17","(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide",""],["56F","1-(4-chlorophenyl)-N-methylmethanesulfonamide","C8 H10 Cl N O2 S","N(C)S(Cc1ccc(cc1)Cl)(=O)=O;CN[S](=O)(=O)Cc1ccc(Cl)cc1;CNS(=O)(=O)Cc1ccc(cc1)Cl","InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3","","2015-08-04","2016-07-29","1-(4-chlorophenyl)-N-methylmethanesulfonamide","2016-08-03"],["56G","N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide","C22 H26 N8 O2","c1(nc(nc(c1)Nc2cc(nn2)C)Oc3cccc(c3)NC(=O)[C@H]=C)N4CCN(C)CC4;CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Oc4cccc(NC(=O)C=C)c4)n2;Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C","InChI=1S/C22H26N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)","","2015-08-04","2024-09-27","N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide","2015-09-09"],["F85","N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine","C18 H26 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2)C(C)(C)C;CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CC(C)(C)c1ccc(cc1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C18H26N2O7/c1-18(2,3)10-6-4-9(5-7-10)15(25)19-17(26)20-16-14(24)13(23)12(22)11(8-21)27-16/h4-7,11-14,16,21-24H,8H2,1-3H3,(H2,19,20,25,26)/t11-,12-,13+,14-,16-/m1/s1","","2012-11-22","2013-12-06","N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine","2013-12-11"],["56H","N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide","C17 H24 N4 O2 S2","C(Nc2ncc(SCc1oc(cn1)C(C)(C)C)s2)(C3CCNCC3)=O;CC(C)(C)c1oc(CSc2sc(NC(=O)C3CCNCC3)nc2)nc1;CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3","InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)","","2015-08-04","2015-08-07","N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide","2015-08-12"],["F86","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C12 H14 N5 O7 P","OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)ncnn21;Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C#N;c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N","InChI=1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1","Remdesivir, bound form","2020-04-14","2024-09-27","{(2R,3S,4R,5R)-5-[(8R)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl dihydrogen phosphate (non-preferred name)","2020-04-22"],["F87","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C21 H23 F2 N5 O2","n2cc1N(C(=O)C(C)N(c1nc2Nc3cc(F)c(O)c(c3)F)CCC(C)C)CC#C;CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12;CC1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C","InChI=1S/C21H23F2N5O2/c1-5-7-28-17-11-24-21(25-14-9-15(22)18(29)16(23)10-14)26-19(17)27(8-6-12(2)3)13(4)20(28)30/h1,9-13,29H,6-8H2,2-4H3,(H,24,25,26)/t13-/m1/s1","","2018-03-13","2018-03-29","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2018-04-04"],["56I","[(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid","C7 H15 N O7 S","OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1N[S](O)(=O)=O;C1C(C(C(C(C1O)O)O)CO)NS(=O)(=O)O","InChI=1S/C7H15NO7S/c9-2-3-4(8-16(13,14)15)1-5(10)7(12)6(3)11/h3-12H,1-2H2,(H,13,14,15)/t3-,4+,5-,6+,7+/m0/s1","","2021-07-07","2024-09-27","[(1~{R},2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid","2022-07-13"],["56J","3-(9H-fluoren-9-yl)propanal","C16 H14 O2","c1cc2c(cc1)c3c(C2CCC=O)cccc3;OC(=O)CCC1c2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3C2CCC(=O)O","InChI=1S/C16H14O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,17,18)","","2015-08-04","2024-09-27","3-(9H-fluoren-9-yl)propanal","2016-08-17"],["F88","~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide","C23 H23 N5 O4","CCn1cc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1;CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC","InChI=1S/C23H23N5O4/c1-4-28-13-15(12-26-28)9-22(29)27-16-5-7-17(8-6-16)32-23-18-10-20(30-2)21(31-3)11-19(18)24-14-25-23/h5-8,10-14H,4,9H2,1-3H3,(H,27,29)","","2018-06-07","2018-09-14","~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide","2018-09-19"],["56K","3-(2-methyl-1,3-thiazol-4-yl)aniline","C10 H10 N2 S","c1cc(cc(c1)c2csc(n2)C)N;Cc1scc(n1)c2cccc(N)c2;Cc1nc(cs1)c2cccc(c2)N","InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3","","2015-08-05","2016-07-29","3-(2-methyl-1,3-thiazol-4-yl)aniline","2016-08-03"],["F89","S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID","C27 H24 N4 O6","O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O;CC1=Nc2ccc3ccc(CNc4ccc5c(CN([CH](CCC(O)=O)C(O)=O)C5=O)c4)cc3c2C(=O)N1;CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)C(CCC(=O)O)C(=O)O","InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1","FOLATE ANALOG 1843U89","1999-07-08","2021-03-01","(2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid",""],["F8A","9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid","C21 H18 F3 N O2","FC(F)(F)c1ccccc1Cn3c2c(C(=O)O)cccc2c4c3CCCC4;OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4C(F)(F)F)c12;c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F","InChI=1S/C21H18F3NO2/c22-21(23,24)17-10-3-1-6-13(17)12-25-18-11-4-2-7-14(18)15-8-5-9-16(19(15)25)20(26)27/h1,3,5-6,8-10H,2,4,7,11-12H2,(H,26,27)","","2009-01-13","2011-06-04","9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid",""],["56L","5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","C7 H10 N2 O2 S","CC(C1C(NC(NC1=O)=S)=O)C;CC(C)C1C(=O)NC(=S)NC1=O;CC(C)C1C(=O)NC(=S)NC1=O","InChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)","","2015-08-05","2016-07-29","5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","2016-08-03"],["56M","4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide","C19 H25 N3 O5 S","c1(c(ccc(c1)S(N(CC)CC)(=O)=O)O)NC(c2c(c(C(C)=O)c(n2)C)C)=O;CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1;CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O","InChI=1S/C19H25N3O5S/c1-6-22(7-2)28(26,27)14-8-9-16(24)15(10-14)21-19(25)18-11(3)17(13(5)23)12(4)20-18/h8-10,20,24H,6-7H2,1-5H3,(H,21,25)","","2015-08-05","2016-01-15","4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide","2016-01-20"],["F8B","~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide","C23 H24 N6 O4","COc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)c2cc1OC;CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC","InChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30)","","2018-06-07","2018-09-14","~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide","2018-09-19"],["F8C","(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H44 N4 O9 S","O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C","InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24-/m0/s1","","2021-12-14","2024-09-27","(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2021-12-22"],["56N","phenyl beta-D-galactopyranoside","C12 H16 O6","OC1C(OC(C(O)C1O)CO)Oc2ccccc2;OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1","phenyl beta-D-galactoside; phenyl D-galactoside; phenyl galactoside","2015-08-05","2020-07-17","phenyl beta-D-galactopyranoside","2015-11-25"],["56O","N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine","C30 H32 Cl N5 O10","c2cc(c1cc(CC(C(NC(C(NC(CCC(O)=O)C(=O)N)=O)CCC(O)=O)=O)CC(NO)=O)on1)ccc2c3cccc(c3)Cl;NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CC(=O)NO)Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CC(CC(=O)NO)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C30H32ClN5O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(46-36-24)13-19(14-25(37)35-45)29(43)34-23(9-11-27(40)41)30(44)33-22(28(32)42)8-10-26(38)39/h1-7,12,15,19,22-23,45H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,35,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1","","2015-08-05","2016-08-12","N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine","2016-08-17"],["F8D","1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one","C13 H14 Cl N O3","c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO;CC(=O)N1C[CH](CO)[CH]2Oc3ccc(Cl)cc3[CH]12;CC(=O)N1CC(C2C1c3cc(ccc3O2)Cl)CO","InChI=1S/C13H14ClNO3/c1-7(17)15-5-8(6-16)13-12(15)10-4-9(14)2-3-11(10)18-13/h2-4,8,12-13,16H,5-6H2,1H3/t8-,12-,13-/m0/s1","","2018-03-13","2018-10-05","1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one","2018-10-10"],["56P","N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","C16 H26 F N3 O4 S","C(C(NO)=O)(N(CCCCCCN)S(c1ccc(c(c1)C)F)(=O)=O)C;C[CH](N(CCCCCCN)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)C(C)C(=O)NO","InChI=1S/C16H26FN3O4S/c1-12-11-14(7-8-15(12)17)25(23,24)20(13(2)16(21)19-22)10-6-4-3-5-9-18/h7-8,11,13,22H,3-6,9-10,18H2,1-2H3,(H,19,21)/t13-/m1/s1","","2015-08-05","2015-11-06","N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","2015-11-11"],["F8E","methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate","C14 H11 Br N4 O2","O=C(OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3;COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br;COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2","InChI=1S/C14H11BrN4O2/c1-21-14(20)10-6-8(2-3-11(10)15)19-13-9-4-5-16-12(9)17-7-18-13/h2-7H,1H3,(H2,16,17,18,19)","","2013-06-18","2013-09-20","methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate","2013-09-25"],["56Q","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide","C11 H15 F N2 O4 S","C(C(NO)=O)(N(C)S(c1ccc(c(c1)C)F)(=O)=O)C;C[CH](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(C)C(C)C(=O)NO","InChI=1S/C11H15FN2O4S/c1-7-6-9(4-5-10(7)12)19(17,18)14(3)8(2)11(15)13-16/h4-6,8,16H,1-3H3,(H,13,15)/t8-/m1/s1","","2015-08-05","2015-11-06","N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide","2015-11-11"],["F8F","(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid","C6 H11 N O6","N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;C1(C(C(C(OC1O)C(=O)O)O)O)N","InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1","","2020-04-14","2024-09-27","(2~{S},5~{S})-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid","2020-11-18"],["F","FLUORIDE ION","F","[F-];[F-];[F-]","InChI=1S/FH/h1H/p-1","","1999-07-08","2011-06-04","fluoride",""],["56R","N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","C18 H22 F N3 O4 S","C(N(Cc1cccc(CN)c1)S(c2ccc(c(c2)C)F)(=O)=O)(C(=O)NO)C;C[CH](N(Cc1cccc(CN)c1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)C(C)C(=O)NO","InChI=1S/C18H22FN3O4S/c1-12-8-16(6-7-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-4-14(9-15)10-20/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23)/t13-/m1/s1","","2015-08-05","2015-11-06","N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide","2015-11-11"],["56S","propan-2-yl dodecanoate","C15 H30 O2","C(CC(OC(C)C)=O)CCCCCCCCC;CCCCCCCCCCCC(=O)OC(C)C;CCCCCCCCCCCC(=O)OC(C)C","InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3","Isopropyl laurate","2015-08-05","2020-06-17","propan-2-yl dodecanoate","2015-09-30"],["F8G","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)","C32 H48 N7 O20 P3 S","c12n(cnc1c(N)ncn2)C3OC(C(C3O)OP(O)(=O)O)COP(OP(OCC(C(C(NCCC(NCCSC(C4=C(CCC(C45CCC(O5)=O)C)O)=O)=O)=O)O)(C)C)(O)=O)(=O)O;C[CH]1CCC(=C(C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)[C]15CCC(=O)O5)O;CC1CCC(=C(C12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O","InChI=1S/C32H48N7O20P3S/c1-16-4-5-17(40)21(32(16)8-6-20(42)57-32)30(46)63-11-10-34-19(41)7-9-35-28(45)25(44)31(2,3)13-55-62(52,53)59-61(50,51)54-12-18-24(58-60(47,48)49)23(43)29(56-18)39-15-38-22-26(33)36-14-37-27(22)39/h14-16,18,23-25,29,40,43-44H,4-13H2,1-3H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t16-,18-,23-,24-,25+,29-,32-/m1/s1","","2018-03-14","2018-03-23","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)","2018-03-28"],["F8H","~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide","C24 H26 F N7 O3","COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1;CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3","InChI=1S/C24H26FN7O3/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29)","","2018-06-07","2018-09-14","~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide","2018-09-19"],["56T","2-(furan-2-yl)ethanamine","C6 H9 N O","c1c(CCN)occ1;NCCc1occc1;c1cc(oc1)CCN","InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2","","2015-08-06","2016-07-29","2-(furan-2-yl)ethanamine","2016-08-03"],["F8I","~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide","C21 H25 N5 O3","CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3;CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3","InChI=1S/C21H25N5O3/c1-21(2,3)25-20(27)15-5-4-14-12-17(15)29-11-10-28-9-7-22-18-6-8-26-19(24-18)16(14)13-23-26/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,24)(H,25,27)","","2022-01-19","2022-08-22","~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide","2022-02-02"],["56U","2-(difluoromethyl)-1H-benzimidazole","C8 H6 F2 N2","c2c1c(nc(C(F)F)n1)ccc2;FC(F)c1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)C(F)F","InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)","","2015-08-06","2016-07-29","2-(difluoromethyl)-1H-benzimidazole","2016-08-03"],["F8J","2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide","C30 H39 N7 O S","n1(c3cc(ccc3c(c1)CN2CCN(C)CC2)NC(=S)NCCc4cnc5ccccc45)CC(=O)NC(C)C;CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c3ccc(NC(=S)NCCc4c[nH]c5ccccc45)cc13;CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C","InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39)","","2018-03-15","2019-03-15","2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide","2019-03-20"],["56V","(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol","C9 H8 N2 O S","c2c1nc3SCC(n3c1ccc2)O;O[CH]1CSc2nc3ccccc3n12;c1ccc2c(c1)nc3n2C(CS3)O","InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1","","2015-08-06","2016-07-29","(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol","2016-08-03"],["56W","(2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid","C14 H25 N2 O9 P","C(CCC(C(=O)O)CP(CCC(C(=O)O)NC(=O)C)(=O)O)C(C(=O)O)N;CC(=O)N[CH](CC[P](O)(=O)C[CH](CCC[CH](N)C(O)=O)C(O)=O)C(O)=O;CC(=O)NC(CCP(=O)(CC(CCCC(C(=O)O)N)C(=O)O)O)C(=O)O","InChI=1S/C14H25N2O9P/c1-8(17)16-11(14(22)23)5-6-26(24,25)7-9(12(18)19)3-2-4-10(15)13(20)21/h9-11H,2-7,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)/t9-,10+,11+/m0/s1","","2015-08-06","2016-01-15","(2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid","2016-01-20"],["F8K","[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium","C23 H27 N2 O2","COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2;C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC","InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1","","2018-06-08","2019-02-01","[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium","2019-02-06"],["F8L","[(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate","C55 H91 O8 P","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O1)CO)O)O)C)C)C)C)C)C)C)C)C)C","InChI=1S/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23?,44-25?,45-27-,46-29-,47-31+,48-33-,49-35+,50-37+,51-39-/t52-,53-,54+,55+/m1/s1","","2020-04-14","2020-04-24","[(2~{Z},6~{E},10~{E},14~{Z},18~{E},22~{Z},26~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate","2020-04-29"],["56X","(4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","C15 H21 N O6 S","CC(C)OC(=O)CSC1=C(N2[CH]([CH]1C)[CH]([CH](C)O)C2=O)C(O)=O;CC1C2C(C(=O)N2C(=C1SCC(=O)OC(C)C)C(=O)O)C(C)O","InChI=1S/C15H21NO6S/c1-6(2)22-9(18)5-23-13-7(3)11-10(8(4)17)14(19)16(11)12(13)15(20)21/h6-8,10-11,17H,5H2,1-4H3,(H,20,21)/t7-,8-,10-,11-/m1/s1","","2021-08-12","2022-05-06","(4~{R},5~{S},6~{S})-4-methyl-6-[(1~{R})-1-oxidanylethyl]-7-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","2022-05-11"],["56Y","4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide","C19 H23 N3 O3","CCc1c(C(C)=O)c(C)nc1C(=O)N(Cc2cccc(C(=O)N)c2)C;CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)Cc2cccc(c2)C(N)=O;CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C","InChI=1S/C19H23N3O3/c1-5-15-16(12(3)23)11(2)21-17(15)19(25)22(4)10-13-7-6-8-14(9-13)18(20)24/h6-9,21H,5,10H2,1-4H3,(H2,20,24)","","2015-08-06","2016-01-15","4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide","2016-01-20"],["F8M","2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid","C18 H19 N3 O4","CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3;CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O;CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O","InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)","7-[3-(dimethylamino)propyl] Analog of Amlexanox","2018-03-15","2021-03-01","2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid","2018-12-05"],["56Z","4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C17 H16 N4 O4 S2","O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccc(OC)cc2)N)cc3;COc1ccc(cc1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N;COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C17H16N4O4S2/c1-25-12-6-2-10(3-7-12)14(22)15-16(18)21-17(26-15)20-11-4-8-13(9-5-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)","","2011-05-16","2012-10-26","4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["F8N","~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide","C26 H31 N3 O3","COc1cccc(c1)c2cccc(CC3(CCOCC3)C(=O)NCCCn4ccnc4)c2;COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4","InChI=1S/C26H31N3O3/c1-31-24-8-3-7-23(18-24)22-6-2-5-21(17-22)19-26(9-15-32-16-10-26)25(30)28-11-4-13-29-14-12-27-20-29/h2-3,5-8,12,14,17-18,20H,4,9-11,13,15-16,19H2,1H3,(H,28,30)","","2018-06-08","2019-02-01","~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide","2019-02-06"],["570","2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID","C34 H30 N2 O5","O=C(c1ccccc1)c2ccccc2NC(C(=O)O)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5;Cc1oc(nc1CCOc2ccc(C[CH](Nc3ccccc3C(=O)c4ccccc4)C(O)=O)cc2)c5ccccc5;Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(C(=O)O)Nc4ccccc4C(=O)c5ccccc5","InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1","GI262570; Farglitazar","2000-09-08","2020-09-25","O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-[2-(phenylcarbonyl)phenyl]-L-tyrosine",""],["F8O","(2~{R},4~{R})-2,4-dimethyloctanal","C10 H20 O2","CCCC[CH](C)C[CH](C)C(O)=O;CCCCC(C)CC(C)C(=O)O","InChI=1S/C10H20O2/c1-4-5-6-8(2)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1","","2023-07-19","2024-09-27","(2~{R},4~{R})-2,4-dimethyloctanoic acid","2024-05-08"],["F8P","2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid","C19 H16 F2 N2 O4","c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F)cc2C3=O)n4)C(O)=O)N;Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CCC(F)(F)CC4;c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O","InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)","7-(4,4-difluorocyclohexyl) Analog of Amlexanox","2018-03-15","2020-06-17","2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid","2018-12-05"],["571","5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium ","C25 H27 N6 O3","O=C([N+]4=Cc1c(nnc1NC(=O)c2ccc(cc2)N3CCN(C)CC3)C4)C(O)c5ccccc5;CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3n[nH]c4C[N+](=Cc34)C(=O)[CH](O)c5ccccc5;CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)C(c5ccccc5)O","InChI=1S/C25H26N6O3/c1-29-11-13-30(14-12-29)19-9-7-18(8-10-19)24(33)26-23-20-15-31(16-21(20)27-28-23)25(34)22(32)17-5-3-2-4-6-17/h2-10,15,22,32H,11-14,16H2,1H3,(H,26,28,33)/p+1/t22-/m1/s1","","2010-04-08","2011-06-04","5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium",""],["F8Q","[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium","C23 H26 F N2 O2","COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F;C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC","InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1","","2018-06-08","2019-02-01","[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium","2019-02-06"],["572","4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE","C11 H19 N5 O3 S","O=S(=O)(N2CCN(c1nc(ncc1)CO)CC2)N(C)C;CN(C)[S](=O)(=O)N1CCN(CC1)c2ccnc(CO)n2;CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO","InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3","CP-166572; 2-HYDROXYMETHYL-4-(4-N,N-DIMETHYLAMINOSULFONYL-1-PIPERAZINO)-PYRIMIDINE","2003-09-15","2020-05-26","4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide",""],["RED","DIHYDROLIPOIC ACID","C8 H16 O2 S2","O=C(O)CCCCC(S)CCS;OC(=O)CCCC[CH](S)CCS;C(CCC(=O)O)CC(CCS)S","InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1","","2000-01-11","2024-09-27","(6R)-6,8-disulfanyloctanoic acid",""],["573","7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide","C17 H14 F2 I N3 O4","Ic1ccc(c(F)c1)Nc2c3c(oc2C(=O)NOCC(O)C)c(F)cnc3;C[CH](O)CONC(=O)c1oc2c(F)cncc2c1Nc3ccc(I)cc3F;CC(CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O","InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1","","2013-09-12","2014-06-13","7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide","2014-06-18"],["574","[(3aS,4R,6R,6aR)-2-{2-[(1S)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite","C18 H22 B N6 O8 P","O1B(OC4C1C(OC4n2c3ncnc(N)c3nc2)COP(O)O)c5ccccc5C(O)CN;NC[CH](O)c1ccccc1B2O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45;B1(OC2C(OC(C2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5C(CN)O","InChI=1S/C18H22BN6O7P/c20-5-11(26)9-3-1-2-4-10(9)19-31-14-12(6-29-33(27)28)30-18(15(14)32-19)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H2,21,22,23)/t11-,12-,14-,15-,18-/m1/s1","","2013-01-21","2013-04-12","[(3aS,4R,6R,6aR)-2-{2-[(1S)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite","2013-04-17"],["REE","2-(2-carboxyethyl)-1,1,1-trimethyldiazanium","C6 H15 N2 O2","O=C(O)CCN[N+](C)(C)C;C[N+](C)(C)NCCC(O)=O;C[N+](C)(C)NCCC(=O)O","InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3/p+1","","2010-05-03","2011-06-04","2-(2-carboxyethyl)-1,1,1-trimethylhydrazinium",""],["REF","2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione","C14 H6 O8","O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O;Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34;c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O","InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H","Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone","2008-03-12","2020-06-17","2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione",""],["575","(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione","C21 H20 Br N3 O2","Brc1ccc2c(c1)/C(C(=O)NC2=O)=C/Nc3ccc(cc3)CN4CCCC4;Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCC4)cc3)c2c1;c1cc(ccc1CN2CCCC2)NC=C3c4cc(ccc4C(=O)NC3=O)Br","InChI=1S/C21H20BrN3O2/c22-15-5-8-17-18(11-15)19(21(27)24-20(17)26)12-23-16-6-3-14(4-7-16)13-25-9-1-2-10-25/h3-8,11-12,23H,1-2,9-10,13H2,(H,24,26,27)/b19-12-","","2008-04-15","2011-06-04","(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione",""],["576","(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID","C18 H18 O3","O=C(O)CC(O)CCc3ccc2c1ccccc1Cc2c3;O[CH](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O;c1ccc-2c(c1)Cc3c2ccc(c3)CCC(CC(=O)O)O","InChI=1S/C18H18O3/c19-15(11-18(20)21)7-5-12-6-8-17-14(9-12)10-13-3-1-2-4-16(13)17/h1-4,6,8-9,15,19H,5,7,10-11H2,(H,20,21)/t15-/m0/s1","","2009-07-22","2011-06-04","(3S)-5-(9H-fluoren-2-yl)-3-hydroxypentanoic acid",""],["REG","1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea","C11 H20 N2 O2","O=C(NC[CH]1CCCO1)NC2CCCC2;C1CCC(C1)NC(=O)NCC2CCCO2","InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1","","2020-02-10","2020-05-29","1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea","2020-06-03"],["REH","1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone","C13 H14 F N O","CC(=O)N1CC2(CCC2)c3c(F)cccc13;CC(=O)N1CC2(CCC2)c3c1cccc3F","InChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3","","2022-11-30","2022-12-09","1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone","2022-12-14"],["577","4-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H-IMIDAZOL-4-YL]-PYRIDINE","C21 H16 F N3 O S","Fc4ccc(c2nc(c1ccc(S(=O)C)cc1)nc2c3ccncc3)cc4;C[S](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4;CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4","InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/f/h25H","SB202190","1999-07-08","2008-10-14","4-[4-(4-fluorophenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridine",""],["578","(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE","C21 H27 N2 O7 P","O=P(O)(OC(c1cccc(c1)CN)C(=O)O)C(NC(=O)OCc2ccccc2)C(C)C;CC(C)[CH](NC(=O)OCc1ccccc1)[P](O)(=O)O[CH](C(O)=O)c2cccc(CN)c2;CC(C)C(NC(=O)OCc1ccccc1)P(=O)(O)OC(c2cccc(c2)CN)C(=O)O","InChI=1S/C21H27N2O7P/c1-14(2)19(23-21(26)29-13-15-7-4-3-5-8-15)31(27,28)30-18(20(24)25)17-10-6-9-16(11-17)12-22/h3-11,14,18-19H,12-13,22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19+/m0/s1","","2007-04-20","2011-06-04","(5R,6S,8S)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-(1-methylethyl)-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide",""],["REI","Tricarbonyl (aqua) (imidazole) rhenium(I)","C6 H6 N2 O4 Re","O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1;C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]","InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1;3*1-2;;/h1-3H,(H,4,5);;;;1H2;/q;;;;;+1","","2011-02-03","2012-01-13","1H-imidazol-3-yl-$l^{3}-oxidanyl-tris($l^{3}-oxidanylidynemethyl)rhenium(1+)",""],["REJ","Tricarbonyl (L-serine) rhenium(I)","C6 H6 N O6 Re","N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[CH]1CO;C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O","InChI=1S/C3H7NO3.3CO.Re/c4-2(1-5)3(6)7;3*1-2;/h2,5H,1,4H2,(H,6,7);;;;/q;;;;+2/p-1/t2-;;;;/m0..../s1","","2011-02-17","2012-01-13","",""],["579","4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide","C20 H24 F N3 O5 S","CCc1c(C(C)=O)c(nc1C(Nc2ccc(c(c2)S(N3CCOCC3)(=O)=O)F)=O)C;CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2ccc(F)c(c2)[S](=O)(=O)N3CCOCC3;CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C","InChI=1S/C20H24FN3O5S/c1-4-15-18(13(3)25)12(2)22-19(15)20(26)23-14-5-6-16(21)17(11-14)30(27,28)24-7-9-29-10-8-24/h5-6,11,22H,4,7-10H2,1-3H3,(H,23,26)","","2015-08-06","2016-01-15","4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide","2016-01-20"],["REK","D-Aspartate Tenofovir","C13 H19 N6 O7 P","C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CC(O)=O)C(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CC(=O)O)C(=O)O)O","InChI=1S/C13H19N6O7P/c1-7(3-19-5-17-10-11(14)15-4-16-12(10)19)26-6-27(24,25)18-8(13(22)23)2-9(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,23)(H2,14,15,16)(H2,18,24,25)/t7-,8-/m1/s1","(2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid","2020-09-28","2021-03-01","(2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid","2021-01-13"],["57C","4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide","C23 H31 N3 O4 S","c1cc(cc(c1)NC(c2c(c(C(C)=O)c(n2)C)CCC)=O)S(N3CCCCCC3)(=O)=O;CCCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(c2)[S](=O)(=O)N3CCCCCC3;CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C","InChI=1S/C23H31N3O4S/c1-4-10-20-21(17(3)27)16(2)24-22(20)23(28)25-18-11-9-12-19(15-18)31(29,30)26-13-7-5-6-8-14-26/h9,11-12,15,24H,4-8,10,13-14H2,1-3H3,(H,25,28)","","2015-08-06","2016-01-15","4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide","2016-01-20"],["REL","D-glucuronic acid","C6 H10 O7","O=C(O)C(O)C(O)C(O)C(O)C=O;O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O;C(=O)C(C(C(C(C(=O)O)O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1","D-Glucuronate; alpha-D-glucofuranuronic acid","2009-05-26","2020-06-24","D-glucuronic acid",""],["57D","chrysin","C15 H10 O4","O=C1c3c(OC(=C1)c2ccccc2)cc(O)cc3O;Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3;c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","5,7-dihydroxy-2-phenyl-4H-chromen-4-one","2008-09-01","2020-06-17","5,7-dihydroxy-2-phenyl-4H-chromen-4-one",""],["57E","1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide","C19 H21 N3 O4 S","CCc1c(c(nc1C(=O)n3c2cc(S(NC)(=O)=O)ccc2cc3)C)C(=O)C;CCc1c([nH]c(C)c1C(C)=O)C(=O)n2ccc3ccc(cc23)[S](=O)(=O)NC;CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C","InChI=1S/C19H21N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-10,20-21H,5H2,1-4H3","","2015-08-06","2016-01-15","1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide","2016-01-20"],["REM","Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide","C33 H50 N4 O6 S","O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4;CC(C)(C)[S](=O)(=O)C[CH](Cc1ccccc1)C(=O)N[CH](Cc2[nH]cnc2)C(=O)N[CH](CC3CCCCC3)[CH](O)[CH](O)C4CC4;CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)O","InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1","remikiren","2008-05-27","2021-03-01","Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide",""],["REN","(S)-reticuline","C19 H23 N O4","O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c2)CCN3C)C;COc1ccc(C[CH]2N(C)CCc3cc(OC)c(O)cc23)cc1O;CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)O)OC)O)OC","InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1","(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol","2008-06-04","2020-06-17","(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol",""],["57F","4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","C21 H29 N3 O5 S","CCc1c(C(C)=O)c(nc1C(Nc2c(cc(C)c(c2)S(N(CC)CC)(=O)=O)O)=O)C;CCN(CC)[S](=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c(O)cc1C;CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C","InChI=1S/C21H29N3O5S/c1-7-15-19(14(6)25)13(5)22-20(15)21(27)23-16-11-18(12(4)10-17(16)26)30(28,29)24(8-2)9-3/h10-11,22,26H,7-9H2,1-6H3,(H,23,27)","","2015-08-06","2016-01-15","4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide","2016-01-20"],["57G","N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide","C20 H27 N3 O6 S","c1(c(ccc(c1)S(N(CC)CC)(=O)=O)O)NC(c2c(CC)c(C(=O)CO)c(n2)C)=O;CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(=O)CO)c2CC)c1;CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO","InChI=1S/C20H27N3O6S/c1-5-14-18(17(26)11-24)12(4)21-19(14)20(27)22-15-10-13(8-9-16(15)25)30(28,29)23(6-2)7-3/h8-10,21,24-25H,5-7,11H2,1-4H3,(H,22,27)","","2015-08-06","2016-01-15","N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide","2016-01-20"],["REO","PERRHENATE","O4 Re","[O-][Re](=O)(=O)=O;[O-][Re](=O)(=O)=O;[O-][Re](=O)(=O)=O","InChI=1S/4O.Re/q;;;-1;","","2000-12-13","2011-06-04","oxido(trioxo)rhenium",""],["57H","prop-2-en-1-ylphosphonic acid","C3 H7 O3 P","P(O)(O)(=O)CC=C;O[P](O)(=O)CC=C;C=CCP(=O)(O)O","InChI=1S/C3H7O3P/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)","","2015-08-07","2015-12-04","prop-2-en-1-ylphosphonic acid","2015-12-09"],["REP","(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)","C15 H8 N2 O3 Re","[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc3cccnc23;C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O","InChI=1S/C12H8N2.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;/h1-8H;;;;","","2001-10-03","2023-09-23","",""],["57I","methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside","C22 H23 N O10","COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccccc1[N+]([O-])=O;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3ccccc3[N+]([O-])=O;Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)c3ccccc3[N+](=O)[O-])OC)CO)O","InChI=1S/C22H23NO10/c1-12-7-9-13(10-8-12)20(26)32-18-17(25)16(11-24)31-22(30-2)19(18)33-21(27)14-5-3-4-6-15(14)23(28)29/h3-10,16-19,22,24-25H,11H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1","","2021-07-16","2022-07-08","methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside","2022-07-13"],["REQ","(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)","C17 H12 N2 O3 Re","[Re]|1(|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n2ccc(C)c3ccc4c(C)ccn|1c4c23;CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O","InChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;","","2008-10-14","2013-05-03","",""],["RER","vancosamine","C7 H15 N O3","OC1OC(C(O)C(N)(C)C1)C;C[CH]1O[CH](O)C[C](C)(N)[CH]1O;CC1C(C(CC(O1)O)(C)N)O","InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1","(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose","2010-09-06","2024-09-27","3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose",""],["57J","6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one","C24 H25 N3 O3","N1(CCC2(CC1)Oc3cc(C)c(cc3C(=O)C2)C)C(c4cc(c5c(c4)cnn5)C)=O;Cc1cc2OC3(CCN(CC3)C(=O)c4cc(C)c5[nH]ncc5c4)CC(=O)c2cc1C;Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C","InChI=1S/C24H25N3O3/c1-14-9-19-20(28)12-24(30-21(19)10-15(14)2)4-6-27(7-5-24)23(29)17-8-16(3)22-18(11-17)13-25-26-22/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)","","2015-08-07","2015-10-09","6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one","2015-10-14"],["57K","tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate","C21 H28 N4 O3","N3(C(c2cc(c1nncc1c2)C)=O)CCC4(CC3)CN(C4)C(OC(C)(C)C)=O;Cc1cc(cc2cn[nH]c12)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C;Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C","InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(6-8-24)12-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)","","2015-08-07","2015-10-09","tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate","2015-10-14"],["RES","4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID","C4 H10 N O8 P","O=P(O)(O)OCC(O)C(O)C(=O)NO;ONC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(=O)NO)O)O)OP(=O)(O)O","InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1","","2004-11-30","2011-06-04","(2R,3R)-2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrogen phosphate",""],["RET","RETINAL","C20 H28 O","O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C;CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C","InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+","","1999-07-08","2024-09-27","retinal",""],["57L","2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate","C24 H34 N4 O3","N1(CCC2(CC1)C(C)N(CC2)C(=O)OCC(C)(C)C)C(c3cc(c4c(c3)cnn4)C)=O;C[CH]1N(CCC12CCN(CC2)C(=O)c3cc(C)c4[nH]ncc4c3)C(=O)OCC(C)(C)C;Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN(C4C)C(=O)OCC(C)(C)C","InChI=1S/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/m0/s1","","2015-08-07","2015-10-09","2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate","2015-10-14"],["57M","Muraymycin D2","C37 H61 N11 O16","C(CNC(C(CC(C)C)NC(=O)C(C1NC(N)=NCC1)NC(=O)NC(C(C)C)C(=O)O)=O)CNC(C(OC2C(O)C(C(O2)CN)O)C3C(O)C(C(O3)N4C=CC(NC4=O)=O)O)C(O)=O;CC(C)C[CH](NC(=O)[CH](NC(=O)N[CH](C(C)C)C(O)=O)[CH]1CCN=C(N)N1)C(=O)NCCCN[CH]([CH](O[CH]2O[CH](CN)[CH](O)[CH]2O)[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)C(O)=O;CC(C)CC(C(=O)NCCCNC(C(C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OC3C(C(C(O3)CN)O)O)C(=O)O)NC(=O)C(C4CCN=C(N4)N)NC(=O)NC(C(C)C)C(=O)O","InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1","N-({(1S)-2-{[(2S)-1-{[3-({(1S,2S)-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo\n-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethyl}amino)propyl]amino}-4-methyl-1-oxopentan-2-yl]am\nino}-1-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2-oxoethyl}carbamoyl)-L-valine","2015-08-07","2020-06-17","N-({(1S)-2-{[(2S)-1-{[3-({(1S,2S)-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethyl}amino)propyl]amino}-4-methyl-1-oxopentan-2-yl]amino}-1-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2-oxoethyl}carbamoyl)-L-valine","2016-03-02"],["REU","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H23 Cl N4 O2","CNC(=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CNC(=O)[CH](C)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CC(C(=O)NC)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C23H23ClN4O2/c1-14(22(29)25-2)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)27-21-11-26-10-15-5-3-4-6-18(15)21/h3-11,14,20H,12-13H2,1-2H3,(H,25,29)(H,27,30)/t14-,20+/m0/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["REV","2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol","C17 H20 O4","O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C;CC[CH](c1ccccc1)c2cc(O)c(OC)c(OC)c2O;CCC(c1ccccc1)c2cc(c(c(c2O)OC)OC)O","InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1","","2014-04-25","2024-09-27","2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol","2014-10-15"],["57N","(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide","C19 H15 N3 O2 S","c1(nccs1)NC(C(c2ccccc2)N4C(c3ccccc3C4)=O)=O;O=C(Nc1sccn1)[CH](N2Cc3ccccc3C2=O)c4ccccc4;c1ccc(cc1)C(C(=O)Nc2nccs2)N3Cc4ccccc4C3=O","InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)/t16-/m1/s1","","2015-08-10","2016-06-03","(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide","2016-06-08"],["57O","(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid","C9 H11 N O4","Cc1c(O)nc(c(C)c1O)CC(O)=O;Cc1c(O)nc(CC(O)=O)c(C)c1O;Cc1c(nc(c(c1O)C)O)CC(=O)O","InChI=1S/C9H11NO4/c1-4-6(3-7(11)12)10-9(14)5(2)8(4)13/h3H2,1-2H3,(H,11,12)(H2,10,13,14)","","2015-08-11","2019-09-04","(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid","2016-10-26"],["REW","(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID","C30 H28 N2 O6","O=C(O)C2N(c1ccc(OC)cc1)C(=O)C2Cc5cc(OCCc3nc(oc3C)c4ccccc4)ccc5;COc1ccc(cc1)N2[CH]([CH](Cc3cccc(OCCc4nc(oc4C)c5ccccc5)c3)C2=O)C(O)=O;Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)CC4C(N(C4=O)c5ccc(cc5)OC)C(=O)O","InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1","4-[2-(3-{[(2S,3S)-2-carboxy-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]methyl}phenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazol-3\n-ium","2007-10-30","2020-06-17","(2S,3S)-1-(4-methoxyphenyl)-3-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-4-oxoazetidine-2-carboxylic acid",""],["REX","GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE","C15 H26 N4 O7","O=C(NC(C(=O)O)C)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C;C[CH](NC(=O)[CH](C)NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)C(O)=O;CC(C(=O)NC(C)C(=O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+]","InChI=1S/C15H26N4O7/c1-8(13(22)18-9(2)14(23)24)17-11(20)6-4-3-5-10(15(25)26)19-12(21)7-16/h8-10H,3-7,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t8-,9-,10+/m1/s1","","2001-05-14","2011-06-04","N-{(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}-D-alanyl-D-alanine",""],["57P","3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid","C26 H23 N O2","c25c(n(CCC(=O)O)c(c1ccccc1)c2c3ccccc3)ccc(C4CC4)c5;OC(=O)CCn1c2ccc(cc2c(c3ccccc3)c1c4ccccc4)C5CC5;c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5","InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)","","2015-08-12","2016-06-17","3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid","2016-06-22"],["57Q","3-(2-phenyl-1H-indol-1-yl)propanoic acid","C17 H15 N O2","O=C(CCn1c(cc2c1cccc2)c3ccccc3)O;OC(=O)CCn1c2ccccc2cc1c3ccccc3;c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O","InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)","","2015-08-12","2016-06-17","3-(2-phenyl-1H-indol-1-yl)propanoic acid","2016-06-22"],["REY","GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE","C12 H21 N3 O6","O=C(NC(C(=O)O)C)CCCCC(C([O-])=O)NC(=O)C[NH3+];C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)C(O)=O;CC(C(=O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+]","InChI=1S/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t7-,8+/m1/s1","","2001-05-14","2011-06-04","(2S)-2-[(ammonioacetyl)amino]-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoate",""],["REZ","(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID","C10 H18 N2 O5","O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C;C[CH](NC(=O)CCCC[CH](N)C(O)=O)C(O)=O;CC(C(=O)O)NC(=O)CCCCC(C(=O)O)N","InChI=1S/C10H18N2O5/c1-6(9(14)15)12-8(13)5-3-2-4-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m1/s1","","2006-11-15","2024-09-27","(2R)-2-amino-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid",""],["57R","(4S,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate","C19 H26 N4 O4","OC3(CCC(OC(=O)NC(C)C)c1c3n(nn1)Cc2ccc(cc2)OC)C;COc1ccc(Cn2nnc3[CH](CC[C](C)(O)c23)OC(=O)NC(C)C)cc1;CC(C)NC(=O)OC1CCC(c2c1nnn2Cc3ccc(cc3)OC)(C)O","InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19+/m0/s1","","2015-08-12","2016-01-08","(4S,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate","2016-01-13"],["RF0","[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol","C16 H17 F N4 O3","COC1CN(CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12;CO[CH]1CN(C[CH](CO)O1)c2ncnc3[nH]c4cc(F)ccc4c23;COC1CN(CC(O1)CO)c2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C16H17FN4O3/c1-23-13-6-21(5-10(7-22)24-13)16-14-11-3-2-9(17)4-12(11)20-15(14)18-8-19-16/h2-4,8,10,13,22H,5-7H2,1H3,(H,18,19,20)/t10-,13-/m0/s1","","2022-06-22","2022-07-01","[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol","2022-07-06"],["57S","4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol","C13 H26 N O13 P","C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CO;CC(=O)NC1C(C(C(OC1OC(COP(=O)(O)O)C(C(CO)O)O)CO)O)O","InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13-/m0/s1","4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol;\n4-O-[2-acetamido-2-deoxy-beta-D-glucosyl]-5-O-phosphono-D-ribitol;\n4-O-[2-acetamido-2-deoxy-D-glucosyl]-5-O-phosphono-D-ribitol; 4-O-[2-acetamido-2-deoxy-glucosyl]-5-O-phosphono-D-ribitol","2015-08-12","2020-07-17","4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol","2015-11-11"],["57T","(2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid]","C18 H12 I2 O4 S2","c1c(ccc(c1)I)[C@H]=C(C(O)=O)SSC(C(O)=O)=[C@H]c2ccc(cc2)I;OC(=O)C(SSC(=Cc1ccc(I)cc1)C(O)=O)=Cc2ccc(I)cc2;c1cc(ccc1C=C(C(=O)O)SSC(=Cc2ccc(cc2)I)C(=O)O)I","InChI=1S/C18H12I2O4S2/c19-13-5-1-11(2-6-13)9-15(17(21)22)25-26-16(18(23)24)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,22)(H,23,24)/b15-9-,16-10+","","2015-08-12","2015-08-28","(2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid]","2015-09-02"],["RF1","tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate","C16 H21 N3 O3 S","O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)CC3;CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3;CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3","InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3","","2009-02-03","2011-06-04","tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate",""],["57U","1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea","C11 H14 N4 O2 S","c2(sc(c1cccn1)c(CO)n2)NC(=O)NCC;CCNC(=O)Nc1sc(c(CO)n1)c2[nH]ccc2;CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO","InChI=1S/C11H14N4O2S/c1-2-12-10(17)15-11-14-8(6-16)9(18-11)7-4-3-5-13-7/h3-5,13,16H,2,6H2,1H3,(H2,12,14,15,17)","","2015-08-13","2015-11-20","1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea","2015-11-25"],["RF2","3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole","C14 H10 F N3","Fc3ccc(c2nnc(c1ccccc1)n2)cc3;Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3;c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F","InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)","","2009-02-03","2011-06-04","3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole",""],["RF3","1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine","C17 H17 N3 O2 S2","O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4sccc4;O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4;c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4","InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2","","2009-02-03","2011-06-04","1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine",""],["57V","1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea","C17 H17 N5 O S","O=C(NCC)Nc2sc(c(C=Cc1cccnc1)n2)c3nccc3;CCNC(=O)Nc1sc(c2[nH]ccc2)c(C=Cc3cccnc3)n1;CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)C=Cc3cccnc3","InChI=1S/C17H17N5OS/c1-2-19-16(23)22-17-21-14(8-7-12-5-3-9-18-11-12)15(24-17)13-6-4-10-20-13/h3-11,20H,2H2,1H3,(H2,19,21,22,23)/b8-7+","","2015-08-13","2015-11-20","1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea","2015-11-25"],["RF4","(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid","C19 H20 N2 O3 S","c1(c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C;Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O;Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C","InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)","","2015-03-06","2015-10-16","(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid","2015-10-21"],["57W","1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea","C20 H18 N6 O","O=C(NCC)Nc3c2ncc(c1cnccc1)cc2n(c3)c4ncccc4;CCNC(=O)Nc1cn(c2ccccn2)c3cc(cnc13)c4cccnc4;CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4","InChI=1S/C20H18N6O/c1-2-22-20(27)25-16-13-26(18-7-3-4-9-23-18)17-10-15(12-24-19(16)17)14-6-5-8-21-11-14/h3-13H,2H2,1H3,(H2,22,25,27)","","2015-08-14","2015-11-20","1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea","2015-11-25"],["RF5","2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose","C5 H10 F O7 P","FC1C(O)C(OC1O)COP(=O)(O)O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1F;C(C1C(C(C(O1)O)F)O)OP(=O)(O)O","InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1","Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;\n2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinose; 2-deoxy-2-fluoro-5-O-phosphono-D-arabinose;\n2-deoxy-2-fluoro-5-O-phosphono-arabinose","2008-07-30","2020-07-17","2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose",""],["57X","7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","C17 H15 N5 O S","C=1C(N(c2c(C=1)c(nn2)c4sc(c3cccnc3)nc4)CCC)=O;CCCN1C(=O)C=Cc2c1[nH]nc2c3sc(nc3)c4cccnc4;CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O","InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)","","2015-08-14","2015-11-06","7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","2015-11-11"],["57Y","3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid","C19 H16 N4 O4 S","c1c2c(c(CCC)c(c1)O)nnc2c4cnc(c3cc(c(nc3)C(=O)O)O)s4;CCCc1c(O)ccc2c([nH]nc12)c3sc(nc3)c4cnc(C(O)=O)c(O)c4;CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O","InChI=1S/C19H16N4O4S/c1-2-3-10-12(24)5-4-11-15(10)22-23-16(11)14-8-21-18(28-14)9-6-13(25)17(19(26)27)20-7-9/h4-8,24-25H,2-3H2,1H3,(H,22,23)(H,26,27)","","2015-08-14","2015-11-13","3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid","2015-11-18"],["RF6","4,6-diethylpyrimidin-2-amine","C8 H13 N3","CCc1cc(CC)nc(N)n1;CCc1cc(nc(n1)N)CC","InChI=1S/C8H13N3/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11)","4,6-bis(ethenyl)pyrimidin-2-amine (precursor); 4,6-Divinylpyrimidin-2-amine (precursor); peptide staple","2022-11-30","2024-09-27","4,6-diethylpyrimidin-2-amine","2023-03-08"],["RF7","{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid","C11 H16 N O5 P","O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C;CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1;CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O","InChI=1S/C11H16NO5P/c1-12(14)11(13)7-10(8-18(15,16)17)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,15,16,17)/t10-/m0/s1","","2015-02-13","2015-03-27","{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid","2015-04-01"],["57Z","1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea","C21 H23 N3 O3 S","O=C2Nc1c(C)cc(cc1C=C2CN(CCO)C(=S)Nc3ccc(cc3)O)C;Cc1cc(C)c2NC(=O)C(=Cc2c1)CN(CCO)C(=S)Nc3ccc(O)cc3;Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C","InChI=1S/C21H23N3O3S/c1-13-9-14(2)19-15(10-13)11-16(20(27)23-19)12-24(7-8-25)21(28)22-17-3-5-18(26)6-4-17/h3-6,9-11,25-26H,7-8,12H2,1-2H3,(H,22,28)(H,23,27)","","2015-08-18","2015-10-09","1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea","2015-10-14"],["580","3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE","C18 H16 F N3","Fc4ccc(c1c(nn2c1CCC2)c3nc(ccc3)C)cc4;Cc1cccc(n1)c2nn3CCCc3c2c4ccc(F)cc4;Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F","InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3","","2004-01-20","2011-06-04","3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole",""],["RF8","hexadecanedioic acid","C16 H30 O4","OC(=O)CCCCCCCCCCCCCCC(O)=O;C(CCCCCCCC(=O)O)CCCCCCC(=O)O","InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)","","2020-09-28","2021-02-19","hexadecanedioic acid","2021-02-24"],["RF9","N~6~-[(1R)-1-carboxyethyl]-L-lysine","C9 H18 N2 O4","NC(CCCCNC(C)C(O)=O)C(O)=O;C[CH](NCCCC[CH](N)C(O)=O)C(O)=O;CC(C(=O)O)NCCCCC(C(=O)O)N","InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1","","2019-02-05","2024-09-27","N~6~-[(1R)-1-carboxyethyl]-L-lysine","2019-02-27"],["581","2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","C13 H11 N3 O5","O=C2C(O)=C(N=C(c1cccc(NC(=O)C)c1)N2)C(=O)O;CC(=O)Nc1cccc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O;CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O","InChI=1S/C13H11N3O5/c1-6(17)14-8-4-2-3-7(5-8)11-15-9(13(20)21)10(18)12(19)16-11/h2-5,18H,1H3,(H,14,17)(H,20,21)(H,15,16,19)","","2012-03-15","2012-08-03","2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid",""],["582","5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE","C13 H13 N3 O","O=C2N(c1c(cccc1)c3c2c(nn3)C)CC;CCN1C(=O)c2c(C)n[nH]c2c3ccccc13;CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O","InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)","","2007-07-11","2011-06-04","5-ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one",""],["RFA","DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)","C54 H75 F8 N7 Ru","FC4C(F)C(NC3C1CC2CC(C1)CC3C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N(CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCCc9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12)CCCC%14;CC1=C[CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[CH]%10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)[CH]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC%14CC(C%13)CC%12C%14)[CH](F)[CH]%11F;CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F","InChI=1S/C34H47F8N3.C10H16N2.C10H12N2.Ru/c1-14-2-4-43-21(6-14)22-13-15(3-5-44-22)12-20-25(35)27(37)23(28(38)26(20)36)24-29(39)31(41)34(32(42)30(24)40)45-33-18-8-16-7-17(10-18)11-19(33)9-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h6,15-34,45H,2-5,7-13H2,1H3;1-8H2;1,4-5,8H,2-3,6-7H2;/q3*-2;+8/b;2*10-9-;/t15-,16-,17+,18-,19+,20-,21?,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34?;;;/m1.../s1","","2001-10-03","2011-06-04","[2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-kappaN]piperidin-4-yl-kappaN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1~3,7~]decan-2-aminato(2-)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~]ruthenium(2+)",""],["RFB","LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)","C54 H75 F8 N7 Ru","FC4C(F)C(NC3C1CC2CC(C1)CC3C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N(CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCCc9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12)CCCC%14;CC1=C[CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[CH]%10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)[CH]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC%14CC(C%13)CC%12C%14)[CH](F)[CH]%11F;CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F","InChI=1S/C34H47F8N3.C10H16N2.C10H12N2.Ru/c1-14-2-4-43-21(6-14)22-13-15(3-5-44-22)12-20-25(35)27(37)23(28(38)26(20)36)24-29(39)31(41)34(32(42)30(24)40)45-33-18-8-16-7-17(10-18)11-19(33)9-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h6,15-34,45H,2-5,7-13H2,1H3;1-8H2;1,4-5,8H,2-3,6-7H2;/q3*-2;+8/b;2*10-9-;/t15-,16-,17+,18-,19+,20-,21?,22?,23?,24-,25-,26+,27-,28+,29?,30-,31?,32?,33-,34?;;;/m1.../s1","","2001-10-04","2011-06-04","[2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(1R,3S,5R,7R)-N-[(2R,2'R,3R,3'R,5S,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2S,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-kappaN]piperidin-4-yl-kappaN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1~3,7~]decan-2-aminato(2-)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~]ruthenium(2+)",""],["583","4,4'-(1H-pyrazole-3,4-diyl)diphenol","C15 H12 N2 O2","c1(c(nnc1)c2ccc(O)cc2)c3ccc(O)cc3;Oc1ccc(cc1)c2c[nH]nc2c3ccc(O)cc3;c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O","InChI=1S/C15H12N2O2/c18-12-5-1-10(2-6-12)14-9-16-17-15(14)11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)","","2015-08-19","2015-08-28","4,4'-(1H-pyrazole-3,4-diyl)diphenol","2015-09-02"],["584","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one","C19 H23 F2 N5 O2","c2(Nc1cc(F)c(O)c(c1)F)ncc3c(n2)N(CCC(C)C)C(C(=O)N3C)C;CC(C)CCN1[CH](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12;CC1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C","InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m1/s1","","2015-08-19","2015-08-28","(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one","2015-09-02"],["RFC","(R)-IBUPROFENOYL-COENZYME A","C34 H53 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)CC(C)C)C;CC(C)Cc1ccc(cc1)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)[n+]3c[nH]c4c(N)ncnc34;CC(C)Cc1ccc(cc1)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O","InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H8,35,36,37,38,39,42,45,47,48,49,50,51,52,53)/p+1/t20-,23-,26-,27-,28+,32-/m1/s1","[5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL\nETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-\nYL]OXYPHOSPHONIC ACID","2006-03-23","2020-06-17","6-amino-9-[(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-{(3S,5R,9R,20R)-3,5,9-trihydroxy-8,8-dimethyl-20-[4-(2-methylpropyl)phenyl]-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl}tetrahydrofuran-2-yl]-7H-purin-9-ium (non-preferred name)",""],["RFE","L-Methionine Tenofovir","C14 H23 N6 O5 P S","CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CCSC)C(=O)O)O","InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1","(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid","2020-09-28","2021-03-01","(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid","2021-01-13"],["585","6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","C22 H23 F N6 O5","Fc1cnc(nc1Nc2nc3NC(=O)C(Oc3cc2)(C)C)Nc4cc(OC)c(OC)c(OC)c4;COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC;CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C","InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)","","2009-01-09","2011-06-04","6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one",""],["586","N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANES\nULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE","C43 H51 F2 N5 O9 S","O=C(NCc1ccccc1)C(NC(=O)C(OC)CC(O)C(NC(=O)c3cc(C(=O)NC(c2ccccc2)C)cc(N(C)S(=O)(=O)C)c3)COc4cc(F)cc(F)c4)C(C)C;CO[CH](C[CH](O)[CH](COc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)N[CH](C(C)C)C(=O)NCc4ccccc4;CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O)OC","InChI=1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37+,38-,39+/m1/s1","N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-\noxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","2008-10-07","2020-06-17","N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-oxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name)",""],["RFF","(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H21 Cl N6 O3 S","Cn1ncc2cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)CC3(C#N)CC3)c12;Cn1ncc2cncc(NC(=O)[CH]3CN(Cc4ccc(Cl)cc34)[S](=O)(=O)CC5(CC5)C#N)c12;Cn1c2c(cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)cn1","InChI=1S/C22H21ClN6O3S/c1-28-20-15(8-26-28)7-25-9-19(20)27-21(30)18-11-29(10-14-2-3-16(23)6-17(14)18)33(31,32)13-22(12-24)4-5-22/h2-3,6-9,18H,4-5,10-11,13H2,1H3,(H,27,30)/t18-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["RFG","3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide","C19 H19 N9 O2","C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn(nc3OC)c4cnccn4)=O;COc1nn(cc1C(=O)Nc2cccc(n2)c3nncn3C(C)C)c4cnccn4;CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4","InChI=1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)14-5-4-6-15(23-14)24-18(29)13-10-28(26-19(13)30-3)16-9-20-7-8-21-16/h4-12H,1-3H3,(H,23,24,29)","","2020-02-11","2020-05-01","3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide","2020-05-06"],["587","C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN","C52 H76 N2 O13","O=C5C(=O)N1CCCCC1C(=O)OC(C(=C/C4CCC(Oc3cc2ccn(c2cc3)C)C(OC)C4)/C)C(C)C(O)CC(=O)C(C=C(C(O)C(CC(OC)C6OC5(O)C(C)CC6OC)C)C)CC;CC[CH]1C=C(C)[CH](O)[CH](C)C[CH](OC)[CH]2O[C](O)([CH](C)C[CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](Oc5ccc6n(C)ccc6c5)[CH](C4)OC;CCC1C=C(C(C(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)Oc5ccc6c(c5)ccn6C)C)O)C)OC)OC)C)O)C","InChI=1S/C52H76N2O13/c1-11-35-23-29(2)46(57)30(3)24-44(63-9)48-45(64-10)25-32(5)52(61,67-48)49(58)50(59)54-20-13-12-14-39(54)51(60)66-47(33(6)40(55)28-41(35)56)31(4)22-34-15-18-42(43(26-34)62-8)65-37-16-17-38-36(27-37)19-21-53(38)7/h16-17,19,21-23,27,30,32-35,39-40,42-48,55,57,61H,11-15,18,20,24-26,28H2,1-10H3/b29-23+,31-22+/t30-,32-,33-,34+,35-,39+,40+,42-,43-,44+,45+,46-,47-,48-,52-/m1/s1","L-709,587","1999-07-08","2021-03-13","(3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,11,19-trihydroxy-14,16-dimethoxy-3-[(E)-2-{(1R,3R,4R)-3-methoxy-4-[(1-methyl-1H-indol-5-yl)oxy]cyclohexyl}-1-methylethenyl]-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",""],["RFH","(1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate","C43 H58 N4 O13","O=C(N)C(=[C@H][C@H]=[C@H]C(C)C(O)C(C)C(C(C)C(C(C)C(C=COC1(C(c2c(O1)c(c(c3c2C(=O)C(=C(O)C3=O)[C@H]=NN4CCN(CC4)C)O)C)=O)C)OC)OC(=O)C)O)C;CO[CH](C=CO[C]1(C)Oc2c(C)c(O)c3C(=O)C(=C(C=NN4CCN(C)CC4)C(=O)c3c2C1=O)O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(N)=O;Cc1c(c2c(c3c1OC(C3=O)(C)OC=CC(C(C)C(C(C)C(C(C)C(C(C)C=CC=C(C)C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O","InChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/b12-11+,19-14+,22-13+,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1","","2018-01-25","2018-04-13","(1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate","2018-04-18"],["588","2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID","C27 H32 N4 O9 S","O=C(N(c1ccc(cc1C=CC(=O)N)CC(C(=O)NCCCCC)NS(=O)(=O)C)c2ccccc2C(=O)O)C(=O)O;CCCCCNC(=O)[CH](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(C=CC(N)=O)c1)N[S](C)(=O)=O;CCCCCNC(=O)C(Cc1ccc(c(c1)C=CC(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C","InChI=1S/C27H32N4O9S/c1-3-4-7-14-29-24(33)20(30-41(2,39)40)16-17-10-12-21(18(15-17)11-13-23(28)32)31(25(34)27(37)38)22-9-6-5-8-19(22)26(35)36/h5-6,8-13,15,20,30H,3-4,7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,35,36)(H,37,38)/b13-11+/t20-/m0/s1","COMPOUND 17","2003-03-17","2020-06-17","2-[{2-[(1E)-3-amino-3-oxoprop-1-en-1-yl]-4-[(2S)-2-[(methylsulfonyl)amino]-3-oxo-3-(pentylamino)propyl]phenyl}(carboxycarbonyl)amino]benzoic acid",""],["RFI","3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one","C17 H16 F N5 O2","Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O;Fc1ccc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O","InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m0/s1","","2022-06-22","2022-07-01","3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one","2022-07-06"],["589","5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C28 H31 N5 O2","O=C5N(N=C(c2ccnc(NC1CCCCC1)c2)N5c4cc3ccccc3cc4)C6CCOCC6;O=C1N(N=C(N1c2ccc3ccccc3c2)c4ccnc(NC5CCCCC5)c4)C6CCOCC6;c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6","InChI=1S/C28H31N5O2/c34-28-32(25-11-10-20-6-4-5-7-21(20)18-25)27(31-33(28)24-13-16-35-17-14-24)22-12-15-29-26(19-22)30-23-8-2-1-3-9-23/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17H2,(H,29,30)","","2010-09-27","2011-08-12","5-[2-(cyclohexylamino)pyridin-4-yl]-4-(naphthalen-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one",""],["58A","5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","C48 H85 N3 O15 P2","O=C1N(C=CC(=N1)N)C2OC(C(C2O)O)COP(=O)(O)OP(O)(OCC(COC(CCCCCCCC=CCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)=O;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17+,20-18+/t40-,41-,45-,46-,47-/m1/s1","cytidinediphosphate-dioleoylglycerol; CDP-1,2-dioleoyl-sn-glycerol","2015-08-19","2024-09-27","5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","2015-11-04"],["RFJ","2'-O-methyl-5'-O-thiophosphonoguanosine","C11 H16 N5 O7 P S","COC3C(n2c1N=C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S;CO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3C(=O)NC(=Nc23)N;COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O","InChI=1S/C11H16N5O7PS/c1-21-7-6(17)4(2-22-24(19,20)25)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,25)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1","","2020-02-11","2020-04-24","2'-O-methyl-5'-O-thiophosphonoguanosine","2020-04-29"],["RFL","8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE","C28 H36 N10 O15 P2","O=C2C3=Nc1cc(c(N(C)C)cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C;CN(C)c1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=Nc2cc1C;Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C28H36N10O15P2/c1-11-4-12-14(5-13(11)36(2)3)37(25-19(33-12)26(44)35-28(45)34-25)6-15(39)20(41)16(40)7-50-54(46,47)53-55(48,49)51-8-17-21(42)22(43)27(52-17)38-10-32-18-23(29)30-9-31-24(18)38/h4-5,9-10,15-17,20-22,27,39-43H,6-8H2,1-3H3,(H,46,47)(H,48,49)(H2,29,30,31)(H,35,44,45)/t15-,16+,17+,20-,21+,22+,27+/m0/s1","","1999-10-25","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",""],["58B","L-alanyl-D-alpha-glutamine","C8 H15 N3 O4","C(C(NC(C(N)C)=O)C(N)=O)CC(O)=O;C[CH](N)C(=O)N[CH](CCC(O)=O)C(N)=O;CC(C(=O)NC(CCC(=O)O)C(=O)N)N","InChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1","","2015-08-20","2016-08-12","L-alanyl-D-alpha-glutamine","2016-08-17"],["RFM","N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide","C26 H21 N5 O2 S","O=C(N(Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c(cccc4)nn5;O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)c5ccccc5)cc4;c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4","InChI=1S/C26H21N5O2S/c32-25(17-31-24-9-5-4-8-23(24)28-29-31)30(16-19-14-15-34-18-19)22-12-10-21(11-13-22)27-26(33)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,27,33)","","2015-03-15","2015-07-31","N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide","2015-08-05"],["58C","cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol","C21 H21 N5 O2","c12cccc(c1nc(nc2)Nc4ccc3c(ncn3)c4)OC5CCC(CC5)O;O[CH]1CC[CH](CC1)Oc2cccc3cnc(Nc4ccc5[nH]cnc5c4)nc23;c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5","InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+","","2015-08-20","2016-08-12","cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol","2016-08-17"],["58D","(3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","C18 H18 N2 O3","C2(N(C(Cc1ccc(cc1)OC)C(=O)Nc3c2cccc3)C)=O;COc1ccc(C[CH]2N(C)C(=O)c3ccccc3NC2=O)cc1;CN1C(C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC","InChI=1S/C18H18N2O3/c1-20-16(11-12-7-9-13(23-2)10-8-12)17(21)19-15-6-4-3-5-14(15)18(20)22/h3-10,16H,11H2,1-2H3,(H,19,21)/t16-/m0/s1","","2015-08-20","2015-11-20","(3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","2015-11-25"],["RFN","(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide","C17 H20 N2 O5 S","O=S(=O)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccccc2)C)C;C[C](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O;CC(CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C","InChI=1S/C17H20N2O5S/c1-17(16(21)18-22,25(2,23)24)9-11-19-10-8-14(12-15(19)20)13-6-4-3-5-7-13/h3-8,10,12,22H,9,11H2,1-2H3,(H,18,21)/t17-/m1/s1","","2011-11-04","2012-01-27","(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide",""],["58E","(5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile","C20 H22 N4 O","OC=4C(C)C3CCc1c(nn(c1c2cccnc2)C)C3(C)CC=4C#N;C[CH]1[CH]2CCc3c(nn(C)c3c4cccnc4)[C]2(C)CC(=C1O)C#N;CC1C2CCc3c(n(nc3C2(CC(=C1O)C#N)C)C)c4cccnc4","InChI=1S/C20H22N4O/c1-12-16-7-6-15-17(13-5-4-8-22-11-13)24(3)23-19(15)20(16,2)9-14(10-21)18(12)25/h4-5,8,11-12,16,25H,6-7,9H2,1-3H3/t12-,16-,20-/m0/s1","","2015-08-20","2024-09-27","(5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile","2016-08-10"],["RFO","1-(4-chloranylindol-1-yl)-2-methoxy-ethanone","C11 H10 Cl N O2","COCC(=O)n1ccc2c(Cl)cccc12;COCC(=O)n1ccc2c1cccc2Cl","InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3","","2022-11-30","2022-12-09","1-(4-chloranylindol-1-yl)-2-methoxy-ethanone","2022-12-14"],["RFP","RIFAMPICIN","C43 H58 N4 O12","O=C4c5c2c(O)c(C=NN1CCN(C)CC1)c3c(O)c2c(O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)c(C=NN5CCN(C)CC5)c(O)c4c3C2=O;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1","","2001-03-16","2011-06-04","(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate",""],["58F","p-iodo Hoechst","C25 H23 I N6","c1(I)ccc(cc1)c2nc3c(n2)ccc(c3)c4nc5c(n4)ccc(c5)N6CCN(CC6)C;CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(I)cc6;CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I","InChI=1S/C25H23IN6/c1-31-10-12-32(13-11-31)19-7-9-21-23(15-19)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-5-18(26)6-3-16/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30)","2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole","2015-08-20","2021-03-13","2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole","2016-03-16"],["58G","6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide","C17 H19 N3 O","c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(N)=O;NC(=O)c1ccc(N[CH]2CC[CH](C2)c3ccccc3)nc1;c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(=O)N","InChI=1S/C17H19N3O/c18-17(21)14-7-9-16(19-11-14)20-15-8-6-13(10-15)12-4-2-1-3-5-12/h1-5,7,9,11,13,15H,6,8,10H2,(H2,18,21)(H,19,20)/t13-,15+/m0/s1","","2015-08-20","2016-08-24","6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide","2016-08-31"],["RFQ","N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide","C24 H22 N4 O2 S2","N(c3cc(OCC(O)c2cccc(NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4;O[CH](COc1cccc(NC(=N)c2sccc2)c1)c3cccc(NC(=N)c4sccc4)c3;c1cc(cc(c1)NC(=N)c2cccs2)C(COc3cccc(c3)NC(=N)c4cccs4)O","InChI=1S/C24H22N4O2S2/c25-23(21-9-3-11-31-21)27-17-6-1-5-16(13-17)20(29)15-30-19-8-2-7-18(14-19)28-24(26)22-10-4-12-32-22/h1-14,20,29H,15H2,(H2,25,27)(H2,26,28)/t20-/m1/s1","","2014-10-24","2025-04-14","N-{3-[(1S)-1-hydroxy-2-(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}phenoxy)ethyl]phenyl}thiophene-2-carboximidamide","2015-01-14"],["RFR","(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H24 Cl N5 O4 S","CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC;CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc(Cl)ccc4C1;CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)NS(=O)(=O)C)Cl","InChI=1S/C23H24ClN5O4S/c1-25-22(30)13-29-11-15-3-5-16(24)7-18(15)20(12-29)23(31)27-21-10-26-9-14-4-6-17(8-19(14)21)28-34(2,32)33/h3-10,20,28H,11-13H2,1-2H3,(H,25,30)(H,27,31)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["58H","methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate","C28 H26 Cl F N4 O3","C(C(C4CCN(CC1=C(C(OC)=O)C(N=C(N1)c2ccccn2)c3c(Cl)cc(F)cc3)CC4)(O)C#C)#C;COC(=O)C1=C(CN2CC[CH](CC2)C(O)(C#C)C#C)NC(=N[CH]1c3ccc(F)cc3Cl)c4ccccn4;COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O","InChI=1S/C28H26ClFN4O3/c1-4-28(36,5-2)18-11-14-34(15-12-18)17-23-24(27(35)37-3)25(20-10-9-19(30)16-21(20)29)33-26(32-23)22-8-6-7-13-31-22/h1-2,6-10,13,16,18,25,36H,11-12,14-15,17H2,3H3,(H,32,33)","","2015-08-20","2016-02-12","methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate","2016-02-17"],["RFS","Br-paroxetine","C19 H20 Br N O3","c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)Br;Brc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc4c3;c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)Br","InChI=1S/C19H20BrNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1","(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-bromophenyl)piperidine","2020-02-11","2020-06-17","(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-bromophenyl)piperidine","2020-03-11"],["58I","4-azaniumylbutylazanium","C4 H14 N2","[NH3+]CCCC[NH3+];C(CC[NH3+])C[NH3+]","InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2","Butane-1,4-diyldiammonium; Putrescinium","2021-07-08","2021-08-06","4-azaniumylbutylazanium","2021-08-11"],["58J","4-Methoxydehydrocyclopeptin","C18 H16 N2 O3","C2(N(/C(=Cc1ccc(cc1)OC)C(=O)Nc3c2cccc3)C)=O;COc1ccc(cc1)C=C2N(C)C(=O)c3ccccc3NC2=O;CN1C(=Cc2ccc(cc2)OC)C(=O)Nc3ccccc3C1=O","InChI=1S/C18H16N2O3/c1-20-16(11-12-7-9-13(23-2)10-8-12)17(21)19-15-6-4-3-5-14(15)18(20)22/h3-11H,1-2H3,(H,19,21)/b16-11-","","2015-08-20","2015-11-20","(3Z)-3-(4-methoxybenzylidene)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","2015-11-25"],["RFT","butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate","C15 H24 N2 O3 S3","C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O;CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O;CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O","InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)","","2020-05-13","2020-11-06","butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate","2020-11-11"],["58K","cyclopeptin","C17 H16 N2 O2","C2(N(C(Cc1ccccc1)C(=O)Nc3c2cccc3)C)=O;CN1[CH](Cc2ccccc2)C(=O)Nc3ccccc3C1=O;CN1C(C(=O)Nc2ccccc2C1=O)Cc3ccccc3","InChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1","","2015-08-20","2015-11-20","(3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","2015-11-25"],["RFU","3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one","C17 H16 F N5 O2","Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O;Fc1ccc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O","InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m1/s1","","2022-06-22","2022-07-01","3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one","2022-07-06"],["RFV","rifamycin SV","C37 H49 N O12","O=C(OC4C(C)C(OC)C=COC3(Oc2c(c(O)c1c(O)c(cc(O)c1c2C3O)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C4C)C)C)C)C;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)cc(O)c4c3[CH]2O;Cc1c(c2c3c(cc(c2O)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC4(C(c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O","InChI=1S/C37H49NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,35,40-45H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,35+,37-/m0/s1","","2014-01-30","2014-05-02","(1R,2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-1,5,6,9,17,19-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate","2014-05-07"],["58L","demethylated cyclopeptin","C16 H14 N2 O2","C2(NC(Cc1ccccc1)C(=O)Nc3c2cccc3)=O;O=C1Nc2ccccc2C(=O)N[CH]1Cc3ccccc3;c1ccc(cc1)CC2C(=O)Nc3ccccc3C(=O)N2","InChI=1S/C16H14N2O2/c19-15-12-8-4-5-9-13(12)17-16(20)14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,20)(H,18,19)/t14-/m0/s1","","2015-08-20","2015-11-20","(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","2015-11-25"],["58N","(4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C17 H22 N4 O","CC(C)(C)n1ncc(c1)c3c2NC(C)CC(=O)Nc2ccc3;C[CH]1CC(=O)Nc2cccc(c3cnn(c3)C(C)(C)C)c2N1;CC1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C","InChI=1S/C17H22N4O/c1-11-8-15(22)20-14-7-5-6-13(16(14)19-11)12-9-18-21(10-12)17(2,3)4/h5-7,9-11,19H,8H2,1-4H3,(H,20,22)/t11-/m1/s1","","2015-08-21","2016-04-15","(4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["RFW","N-acetyl-D-glucosamine-6-phosphate","C8 H14 N O9 P","[O-]P([O-])(=O)OCC(O)C(O)C(O)C(C=O)NC(=O)C;CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P]([O-])([O-])=O;CC(=O)NC(C=O)C(C(C(COP(=O)([O-])[O-])O)O)O","InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/p-2/t5-,6+,7+,8+/m0/s1","","2014-07-23","2014-10-10","2-(acetylamino)-2-deoxy-6-O-phosphonato-D-glucose","2014-10-15"],["RFX","(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","C17 H18 F3 N O","FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2;CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2;CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F","InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1","Fluoxetine","2009-04-03","2021-03-01","(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine",""],["58O","6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C24 H23 F3 N6 O S","c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5c(c4)cc(C#N)n5)OC;COc1cc2[nH]c(cc2cc1CN3CCC(CC3)Nc4ncnc5sc(CC(F)(F)F)cc45)C#N;COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N","InChI=1S/C24H23F3N6OS/c1-34-21-9-20-14(7-17(11-28)31-20)6-15(21)12-33-4-2-16(3-5-33)32-22-19-8-18(10-24(25,26)27)35-23(19)30-13-29-22/h6-9,13,16,31H,2-5,10,12H2,1H3,(H,29,30,32)","MI-336","2015-08-21","2021-03-01","6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2016-03-30"],["58P","1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1\nH-indole-2-carbonitrile","C26 H27 F3 N6 O2 S","c45c(c(NC1CCN(CC1)Cc2cc3c(cc2)n(c(c3)C#N)CC(O)CO)ncn4)cc(CC(F)(F)F)s5;OC[CH](O)Cn1c(cc2cc(CN3CC[CH](CC3)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc12)C#N;c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(CO)O)C#N","InChI=1S/C26H27F3N6O2S/c27-26(28,29)10-21-9-22-24(31-15-32-25(22)38-21)33-18-3-5-34(6-4-18)12-16-1-2-23-17(7-16)8-19(11-30)35(23)13-20(37)14-36/h1-2,7-9,15,18,20,36-37H,3-6,10,12-14H2,(H,31,32,33)/t20-/m0/s1","MI-352","2015-08-21","2020-06-17","1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2016-03-30"],["RFY","I-paroxetine","C19 H20 I N O3","c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I;Ic1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc4c3;c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)I","InChI=1S/C19H20INO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1","(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine","2020-02-11","2021-03-13","(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine","2020-03-11"],["RFZ","5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole","C12 H12 Cl2 N2 O4","Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl)cc23;c1c2c(cc(c1Cl)Cl)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1","","2007-10-19","2011-06-04","5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole",""],["58Q","6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C29 H29 F3 N8 O S","c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5n(c(cc5c4C)C#N)Cc6cnnc6)OC;COc1cc2n(Cc3c[nH]nc3)c(cc2c(C)c1CN4CCC(CC4)Nc5ncnc6sc(CC(F)(F)F)cc56)C#N;Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N","InChI=1S/C29H29F3N8OS/c1-17-22-7-20(11-33)40(14-18-12-36-37-13-18)25(22)9-26(41-2)24(17)15-39-5-3-19(4-6-39)38-27-23-8-21(10-29(30,31)32)42-28(23)35-16-34-27/h7-9,12-13,16,19H,3-6,10,14-15H2,1-2H3,(H,36,37)(H,34,35,38)","","2015-08-21","2016-03-25","6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2016-03-30"],["58R","2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta\nmide","C25 H24 F3 N7 O S","c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4ccc5n(c(cc5c4)C#N)CC(=O)N;NC(=O)Cn1c(cc2cc(CN3CCC(CC3)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc12)C#N;c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N","InChI=1S/C25H24F3N7OS/c26-25(27,28)10-19-9-20-23(31-14-32-24(20)37-19)33-17-3-5-34(6-4-17)12-15-1-2-21-16(7-15)8-18(11-29)35(21)13-22(30)36/h1-2,7-9,14,17H,3-6,10,12-13H2,(H2,30,36)(H,31,32,33)","MI-389","2015-08-21","2020-06-17","2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}acetamide","2016-03-30"],["RG0","1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone","C11 H9 Cl F3 N O","CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F;CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl","InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3","","2022-11-30","2022-12-09","1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone","2022-12-14"],["RG1","Rhodopin b-D-glucoside","C46 H66 O6","C1(OC(C(C(C1O)O)O)CO)OC(C)(C)CCCC(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C;CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C","InChI=1S/C46H66O6/c1-34(2)19-13-22-37(5)25-16-28-38(6)26-14-23-35(3)20-11-12-21-36(4)24-15-27-39(7)29-17-30-40(8)31-18-32-46(9,10)52-45-44(50)43(49)42(48)41(33-47)51-45/h11-17,19-30,41-45,47-50H,18,31-33H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,35-20+,36-21+,37-25+,38-26+,39-27+,40-30+/t41-,42-,43+,44-,45+/m1/s1","(3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside","1999-07-08","2020-06-17","(3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside",""],["58T","13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE","C17 H19 N5 O4","CNc1nc2OCCOCCOc3cccc(CN4C(=O)Nc1c4n2)c3;CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2","InChI=1S/C17H19N5O4/c1-18-14-13-15-21-16(20-14)26-8-6-24-5-7-25-12-4-2-3-11(9-12)10-22(15)17(23)19-13/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,18,20,21)","","2015-09-08","2016-02-26","","2016-03-02"],["58U","(4S)-4-methyl-2,5,7-trioxoheptanoic acid","C8 H10 O5","OC(C(CC(C(=O)CC=O)C)=O)=O;C[CH](CC(=O)C(O)=O)C(=O)CC=O;CC(CC(=O)C(=O)O)C(=O)CC=O","InChI=1S/C8H10O5/c1-5(6(10)2-3-9)4-7(11)8(12)13/h3,5H,2,4H2,1H3,(H,12,13)/t5-/m0/s1","","2015-08-25","2024-09-27","(4S)-4-methyl-2,5,7-trioxoheptanoic acid","2016-09-28"],["RG2","3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","C17 H11 Cl F3 N3 O2","FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(Cl)cc3;OC(=O)c1nc2ccc(cc2nc1NCc3ccc(Cl)cc3)C(F)(F)F;c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl","InChI=1S/C17H11ClF3N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)","","2014-04-04","2014-12-05","3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","2014-12-10"],["RG3","(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H21 Cl N4 O5 S","CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21;CNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1=O;CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O)C","InChI=1S/C23H21ClN4O5S/c1-25-21(29)12-28-11-19(18-8-14(24)3-5-17(18)23(28)31)22(30)27-20-10-26-9-13-7-15(34(2,32)33)4-6-16(13)20/h3-10,19H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["58V","(2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone","C23 H22 Cl N7 O2","c1cc(cc(c1C(N2CCOCC2)=O)Cl)Nc6c3n(c(cn3)c4cnnc4)cc(C5CC5)n6;Clc1cc(Nc2nc(cn3c(cnc23)c4c[nH]nc4)C5CC5)ccc1C(=O)N6CCOCC6;c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6","InChI=1S/C23H22ClN7O2/c24-18-9-16(3-4-17(18)23(32)30-5-7-33-8-6-30)28-21-22-25-12-20(15-10-26-27-11-15)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29)","","2015-08-26","2016-08-18","(2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone","2016-08-23"],["58W","N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide","C17 H16 Cl N O3","c3c(C1(CCC1)C(=O)Nc2cc(Cl)c(O)cc2O)cccc3;Oc1cc(O)c(NC(=O)C2(CCC2)c3ccccc3)cc1Cl;c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl","InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)","","2015-08-26","2016-08-18","N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide","2016-08-23"],["RG4","(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","C17 H18 N6","c4(c1ncnc2nccc12)cnn(C(CC#N)C3CCCC3)c4;N#CC[CH](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)c3cnn(c3)C(CC#N)C4CCCC4","InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1","","2020-02-12","2021-02-12","(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","2021-02-17"],["RG5","7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole","C15 H13 F N8 O","Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn[NH]1;Fc1ccc2c([nH]c3ncnc(N4CCO[CH](C4)c5[nH]nnn5)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)c5[nH]nnn5","InChI=1S/C15H13FN8O/c16-8-1-2-9-10(5-8)19-14-12(9)15(18-7-17-14)24-3-4-25-11(6-24)13-20-22-23-21-13/h1-2,5,7,11H,3-4,6H2,(H,17,18,19)(H,20,21,22,23)/t11-/m1/s1","","2022-06-22","2022-07-01","7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole","2022-07-06"],["58X","(2E)-3,7-dimethylocta-2,6-dienoic acid","C10 H16 O2","CC(=[C@H]CCC(=[C@H]C(O)=O)C)C;CC(C)=CCCC(C)=CC(O)=O;CC(=CCCC(=CC(=O)O)C)C","InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+","","2015-08-26","2015-10-23","(2E)-3,7-dimethylocta-2,6-dienoic acid","2015-10-28"],["RG6","2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol","C8 H3 Cl F6 O S2","Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F;Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F;c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F","InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H","","2023-05-09","2023-06-09","2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol","2023-06-14"],["58Y","(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","C8 H15 N O4 S","C12C(C(C(O)C(CO)O1)O)NC(S2)C;C[CH]1N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CC1NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C8H15NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1","","2015-08-26","2016-09-02","(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2016-09-07"],["RG7","5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide","C23 H26 Cl2 F4 N4 O5 S2","c3(c1c(nc(C(=O)NCC(C)(C)O)s1)C(N2CCC(CC2)F)=O)c(Cl)c(c(cc3)S(NC(C)C(F)(F)F)(=O)=O)Cl;C[CH](N[S](=O)(=O)c1ccc(c(Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3)C(=O)NCC(C)(C)O)C(F)(F)F;CC(C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F","InChI=1S/C23H26Cl2F4N4O5S2/c1-11(23(27,28)29)32-40(37,38)14-5-4-13(15(24)16(14)25)18-17(21(35)33-8-6-12(26)7-9-33)31-20(39-18)19(34)30-10-22(2,3)36/h4-5,11-12,32,36H,6-10H2,1-3H3,(H,30,34)/t11-/m0/s1","","2020-02-12","2020-05-08","5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide","2020-05-13"],["58Z","1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid","C16 H20 N2 O3","O=C(O)C3CCN(CCOc2cc1ccnc1cc2)CC3;OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1;c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O","InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)","","2009-01-20","2011-06-04","1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid",""],["RG9","2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide","C20 H19 Cl N2 O2","Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O;CC(C)(O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1;CC(C)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl)O","InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide","2023-11-08"],["590","9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine","C20 H27 N11 O7 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)C(N=[N+]=[N-])C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3N=[N+]=[N-];c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)N=[N+]=[N-])N","InChI=1S/C20H27N11O7S2/c21-17-15-18(24-7-23-17)31(8-25-15)19-14(28-30-22)16(33)10(38-19)5-37-40(35,36)29-12(32)4-2-1-3-11-13-9(6-39-11)26-20(34)27-13/h7-11,13-14,16,19,33H,1-6H2,(H,29,32)(H2,21,23,24)(H2,26,27,34)/t9-,10+,11-,13-,14-,16+,19+/m0/s1","","2015-02-04","2015-08-28","9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine","2015-09-02"],["RGA","REIDISPONGIOLIDE A","C54 H87 N O13","O=CN(C=CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C)C;CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH](C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](C)[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=O)OC)C;CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)C)OC)OC","InChI=1S/C54H87NO13/c1-35-18-16-20-51(58)68-54(41(7)53(66-15)37(3)23-26-46(57)39(5)47(63-12)19-17-27-55(8)34-56)38(4)22-25-43(60-9)32-48(64-13)36(2)21-24-44(61-10)33-49(65-14)40(6)50-30-42(31-52(59)67-50)29-45(28-35)62-11/h16-18,20-22,24-25,27,31,34,36-41,43-45,47-50,53-54H,19,23,26,28-30,32-33H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,35-18+/t36-,37-,38-,39-,40+,41-,43-,44+,45+,47+,48-,49-,50+,53-,54-/m0/s1","N-((E)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((5Z,7Z,13Z,19Z)-3,15,17,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIO\nXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)DODEC-1-ENYL)-N-METHYLFORMAMIDE","2005-08-30","2020-06-17","N-{(1E,4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl}-N-methylformamide",""],["591","(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one","C19 H19 N7 O","O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C;CCn1cc(cn1)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4;CCn1cc(cn1)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4","InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1","WAY-256591","2011-06-03","2021-03-01","(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one",""],["RGC","REIDISPONGIOLIDE C","C52 H84 O14","O=C(O)CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C;CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH](C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](C)[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CCC(O)=O)OC)C;CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)C)OC)OC","InChI=1S/C52H84O14/c1-32-16-15-17-49(56)66-52(38(7)51(64-14)34(3)20-23-43(53)36(5)44(61-11)24-25-48(54)55)35(4)19-22-40(58-8)30-45(62-12)33(2)18-21-41(59-9)31-46(63-13)37(6)47-28-39(29-50(57)65-47)27-42(26-32)60-10/h15-19,21-22,29,33-38,40-42,44-47,51-52H,20,23-28,30-31H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,32-16+/t33-,34-,35-,36-,37+,38-,40-,41+,42+,44+,45-,46-,47+,51-,52-/m0/s1","(4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25R)-3,15,17\n,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)D\nODECANOIC ACID","2005-08-30","2020-06-17","(4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodecanoic acid",""],["592","N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide","C29 H32 N4 O3","O=C(NCc1ccccc1)c2ccc(nc2)N3C5CCC3CC(NC(=O)c4cccc(OC)c4C)C5;COc1cccc(C(=O)NC2C[CH]3CC[CH](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)c1C;Cc1c(cccc1OC)C(=O)NC2CC3CCC(C2)N3c4ccc(cn4)C(=O)NCc5ccccc5","InChI=1S/C29H32N4O3/c1-19-25(9-6-10-26(19)36-2)29(35)32-22-15-23-12-13-24(16-22)33(23)27-14-11-21(18-30-27)28(34)31-17-20-7-4-3-5-8-20/h3-11,14,18,22-24H,12-13,15-17H2,1-2H3,(H,31,34)(H,32,35)/t22-,23+,24-","","2012-06-05","2014-09-05","N-benzyl-6-{(3-endo)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]oct-8-yl}pyridine-3-carboxamide","2012-08-24"],["RGD","cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone","C14 H23 N O4","C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO;OCC[C]12CN(C[CH]1C[CH](CO)O2)C(=O)C3CCC3;C1CC(C1)C(=O)N2CC3CC(OC3(C2)CCO)CO","InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1","","2020-02-12","2020-04-03","cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone","2020-04-08"],["593","(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one","C20 H25 N3 O","O=C1N(C(=NC1(c2ccccc2)C53CC4CC(CC(C3)C4)C5)N)C;CN1C(=N[C](C1=O)(c2ccccc2)[C]34CC5[CH2][CH](C[CH]([CH2]5)C3)C4)N;CN1C(=O)C(N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4","InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22)/t13-,14+,15-,19-,20-/m0/s1","","2009-08-21","2011-06-04","(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one",""],["RGE","(2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID","C8 H17 N3 O3 S","O=S(CC(=[N@H])NCCCC(C(=O)O)N)C;C[S](=O)CC(=N)NCCC[CH](N)C(O)=O;CS(=O)CC(=N)NCCCC(C(=O)O)N","InChI=1S/C8H17N3O3S/c1-15(14)5-7(10)11-4-2-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-,15+/m0/s1","","2015-02-02","2015-04-24","N~5~-{(1E)-2-[(R)-methylsulfinyl]ethanimidoyl}-L-ornithine","2015-04-29"],["594","9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine","C20 H27 F N8 O7 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)C(F)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)F)N","InChI=1S/C20H27FN8O7S2/c21-13-16(31)10(36-19(13)29-8-25-15-17(22)23-7-24-18(15)29)5-35-38(33,34)28-12(30)4-2-1-3-11-14-9(6-37-11)26-20(32)27-14/h7-11,13-14,16,19,31H,1-6H2,(H,28,30)(H2,22,23,24)(H2,26,27,32)/t9-,10+,11-,13-,14-,16+,19+/m0/s1","","2015-02-04","2015-08-28","9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine","2015-09-02"],["RGF","(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H17 F N4 O2","O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[CH]1CN(CC12CCC2)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC(C5(C4)CCC5)C(=O)O","InChI=1S/C18H17FN4O2/c19-10-2-3-11-13(6-10)22-15-14(11)16(21-9-20-15)23-7-12(17(24)25)18(8-23)4-1-5-18/h2-3,6,9,12H,1,4-5,7-8H2,(H,24,25)(H,20,21,22)/t12-/m0/s1","","2022-06-22","2022-07-01","(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["595","N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide","C35 H46 N4 O6 S","O=S(=O)(N(C(C=O)CCCC(NC(=O)C(NC(=O)OC)C(c1ccccc1)c2ccccc2)C)CCC(C)C)c3ccc(N)cc3;COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)N[CH](C)CCC[CH](C=O)N(CCC(C)C)[S](=O)(=O)c3ccc(N)cc3;CC(C)CCN(C(CCCC(C)NC(=O)C(C(c1ccccc1)c2ccccc2)NC(=O)OC)C=O)S(=O)(=O)c3ccc(cc3)N","InChI=1S/C35H46N4O6S/c1-25(2)22-23-39(46(43,44)31-20-18-29(36)19-21-31)30(24-40)17-11-12-26(3)37-34(41)33(38-35(42)45-4)32(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,18-21,24-26,30,32-33H,11-12,17,22-23,36H2,1-4H3,(H,37,41)(H,38,42)/t26-,30-,33-/m0/s1","","2010-04-06","2011-06-04","N-[(2S,6S)-6-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-7-oxoheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide",""],["RGG","(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside","C9 H18 O8","O(CC(O)CO)C1OC(C(O)C(O)C1O)CO;OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O","InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1","(2R)-glyceryl-beta-D-galactopyranoside; (2R)-2,3-dihydroxypropyl beta-D-galactoside; (2R)-2,3-dihydroxypropyl\nD-galactoside; (2R)-2,3-dihydroxypropyl galactoside","2009-02-19","2020-07-17","(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside",""],["596","(2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one","C22 H22 N4 O3","O=C1c4ccc(OC)c(c4O/C1=Cc3nnc2ccccc23)CN5CCNCC5;COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4n[nH]c5ccccc45;COc1ccc2c(c1CN3CCNCC3)OC(=Cc4c5ccccc5[nH]n4)C2=O","InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-","","2011-11-30","2012-09-28","(2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one","2012-09-28"],["RGI","METHYLCARBAMIC ACID","C2 H5 N O2","O=C(O)NC;CNC(O)=O;CNC(=O)O","InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)","","2002-06-19","2024-09-27","methylcarbamic acid",""],["598","6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID","C25 H24 N2 O7 S3","O=S(=O)(N4CCC(Nc1cc2sc3c(OCC(=O)O)c(sc3c2cc1)C(=O)O)CC4)Cc5ccccc5;OC(=O)COc1c(sc2c1sc3cc(NC4CCN(CC4)[S](=O)(=O)Cc5ccccc5)ccc23)C(O)=O;c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O","InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31)","","2005-09-30","2011-06-04","6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid",""],["599","2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol","C29 H30 Cl2 N4 O3","Clc5ccc(C#Cc1c(Cl)ccc(c1)c2nn(c3c2CN(C(=O)CO)CC3)CCCN4CCOCC4)cc5;OCC(=O)N1CCc2n(CCCN3CCOCC3)nc(c4ccc(Cl)c(c4)C#Cc5ccc(Cl)cc5)c2C1;c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl","InChI=1S/C29H30Cl2N4O3/c30-24-7-3-21(4-8-24)2-5-22-18-23(6-9-26(22)31)29-25-19-34(28(37)20-36)13-10-27(25)35(32-29)12-1-11-33-14-16-38-17-15-33/h3-4,6-9,18,36H,1,10-17,19-20H2","","2009-07-23","2011-06-04","1-(3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyethanone",""],["RGJ","4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE","C19 H17 Cl F N3 O3","CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc(Cl)cc3F;CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC","InChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24)","","2015-09-08","2016-02-26","4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6,7-dimethoxy-N-methyl-quinoline-3-carboxamide","2016-03-02"],["RGK","2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one","C14 H11 N3 O","O=C2c3ccccc3N=C(c1ccc(N)cc1)N2;Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N","InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)","","2013-06-20","2013-10-25","2-(4-aminophenyl)quinazolin-4(3H)-one","2013-10-30"],["59A","N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE","C12 H19 N O6","O=C(NC(C(=O)O)C(C)CC)C1OC1C(=O)OCC;CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(O)=O;CCC(C)C(C(=O)O)NC(=O)C1C(O1)C(=O)OCC","InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1","CA059; N-(L-3-TRANS-ETHOXYCARBONYLOXIRANE-2-CARBONYL)-L-ISOLEUCINE","2006-01-04","2024-09-27","N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucine",""],["59B","morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone","C19 H17 N7 O2","c4c(Nc1c3n(c2c(n1)cccc2)nnn3)ccc(c4)C(=O)N5CCOCC5;O=C(N1CCOCC1)c2ccc(Nc3nc4ccccc4n5nnnc35)cc2;c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5","InChI=1S/C19H17N7O2/c27-19(25-9-11-28-12-10-25)13-5-7-14(8-6-13)20-17-18-22-23-24-26(18)16-4-2-1-3-15(16)21-17/h1-8H,9-12H2,(H,20,21)","","2015-08-26","2016-09-02","morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone","2016-09-07"],["RGL","ARGINAL","C6 H15 N4 O","O=CC(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C=O;C(CC(C=O)N)CNC(=[NH2+])N","InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1","","2010-05-18","2024-09-27","amino{[(4S)-4-amino-5-oxopentyl]amino}methaniminium",""],["59C","[(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate","C32 H45 N3 O8","O=C1C(NC/C=C)=C2C(=O)C(=C1C)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(NCC=C)C(=O)C(=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O)C;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C32H45N3O8/c1-9-13-34-26-22-14-17(2)15-24(42-8)27(36)19(4)16-20(5)30(43-32(33)40)23(41-7)12-10-11-18(3)31(39)35-25(29(22)38)21(6)28(26)37/h9-12,16-17,19,23-24,27,30,34,36H,1,13-15H2,2-8H3,(H2,33,40)(H,35,39)/b12-10+,18-11?,20-16+/t17-,19-,23+,24+,27-,30-/m1/s1","","2012-04-30","2014-09-05","(4Z,6E,8S,9R,10E,12R,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate","2013-04-03"],["RGM","(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one","C14 H17 N3 O2","C1(=O)C43C(CC(c2cncc12)N3C)CN(C(C)=O)C4;CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24)C(C)=O;CC(=O)N1CC2CC3c4c[nH]cc4C(=O)C2(C1)N3C","InChI=1S/C14H17N3O2/c1-8(18)17-6-9-3-12-10-4-15-5-11(10)13(19)14(9,7-17)16(12)2/h4-5,9,12,15H,3,6-7H2,1-2H3/t9-,12-,14+/m0/s1","","2020-02-12","2020-04-03","(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one","2020-04-08"],["59D","(7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide","C28 H28 F N5 O3","n1c(ccc1)C(N2CC(c5c(C2)c(C(Nc3cccc(C(C)O)c3)=O)nn5Cc4ccc(cc4)F)C)=O;C[CH](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c4[CH](C)CN(Cc24)C(=O)c5[nH]ccc5)c1;CC1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)C(C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5","InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1","","2015-08-26","2015-10-02","(7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide","2015-10-07"],["RGN","(1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol","C5 H8 F2 O2","O[CH]1CC(F)(F)C[CH]1O;C1C(C(CC1(F)F)O)O","InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m1/s1","","2020-09-29","2021-06-11","(1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol","2021-06-16"],["RGO","(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one","C11 H9 F2 N O","FC1(F)C[CH]2Cc3ccccc3N2C1=O;c1ccc2c(c1)CC3N2C(=O)C(C3)(F)F","InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1","","2022-11-30","2022-12-09","(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one","2022-12-14"],["59E","methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate","C23 H21 N5 O3","COC(CC3c1n(c(nn1)C)c2ccc(OC)cc2C(=N3)c4cccc5c4ccn5)=O;COC(=O)C[CH]1N=C(c2cccc3[nH]ccc23)c4cc(OC)ccc4n5c(C)nnc15;Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)OC)c4cccc5c4cc[nH]5)OC","InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3/t19-/m0/s1","","2015-08-27","2015-11-06","methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate","2015-11-11"],["RGP","GAMMA-GLUTAMYL PHOSPHATE","C5 H10 N O7 P","O=C(OP(=O)(O)O)CCC(C(=O)O)N;N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O;C(CC(=O)OP(=O)(O)O)C(C(=O)O)N","InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1","5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE","2005-07-20","2024-09-27","5-oxo-5-(phosphonooxy)-D-norvaline",""],["59F","(2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid","C23 H29 N5 O8 S","C(N1C(C(=O)N(CC1)CC)=O)(NC(C(=O)NC(C2SCC(C(N2)C(O)=O)C)C=O)c3ccc(O)cc3)=O;CCN1CCN(C(=O)N[CH](C(=O)N[CH](C=O)[CH]2N[CH]([CH](C)CS2)C(O)=O)c3ccc(O)cc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccc(cc2)O)C(=O)NC(C=O)C3NC(C(CS3)C)C(=O)O","InChI=1S/C23H29N5O8S/c1-3-27-8-9-28(21(33)20(27)32)23(36)26-17(13-4-6-14(30)7-5-13)18(31)24-15(10-29)19-25-16(22(34)35)12(2)11-37-19/h4-7,10,12,15-17,19,25,30H,3,8-9,11H2,1-2H3,(H,24,31)(H,26,36)(H,34,35)/t12-,15+,16+,17+,19+/m0/s1","","2015-08-27","2024-09-27","(2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid","2016-01-13"],["RGQ","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H20 Cl F N4 O2","Fc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC;CNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1;CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3ccc(c4)F)Cl","InChI=1S/C22H20ClFN4O2/c1-25-21(29)12-28-10-13-2-3-15(23)7-18(13)19(11-28)22(30)27-20-9-26-8-14-6-16(24)4-5-17(14)20/h2-9,19H,10-12H2,1H3,(H,25,29)(H,27,30)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["59G","6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid","C28 H21 Cl2 N O4 S","Clc1cccc(Cl)c1c2noc(c2COc5ccc(c4ccc3c(scc3C(=O)O)c4)cc5)C(C)C;CC(C)c1onc(c1COc2ccc(cc2)c3ccc4c(scc4C(O)=O)c3)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O","InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-22(29)4-3-5-23(25)30)13-34-18-9-6-16(7-10-18)17-8-11-19-21(28(32)33)14-36-24(19)12-17/h3-12,14-15H,13H2,1-2H3,(H,32,33)","","2011-05-10","2011-09-16","6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid",""],["59H","(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid","C20 H25 N5 O6 S","N(C(C1NC(C(O)=O)C(C)(C)S1)C=O)C(C(NC(N2C(NCC2)=O)=O)c3ccccc3)=O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](NC(=O)N2CCNC2=O)c3ccccc3)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C","InChI=1S/C20H25N5O6S/c1-20(2)14(17(28)29)24-16(32-20)12(10-26)22-15(27)13(11-6-4-3-5-7-11)23-19(31)25-9-8-21-18(25)30/h3-7,10,12-14,16,24H,8-9H2,1-2H3,(H,21,30)(H,22,27)(H,23,31)(H,28,29)/t12-,13-,14+,16-/m1/s1","","2015-08-27","2016-01-08","(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid","2016-01-13"],["RGS","4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDE","C20 H32 N6 O12 S2","O=C(NC(C(=O)NCCC(C(=O)O)N)CSSCC(C(=O)NCCC(C(=O)O)N)NC(=O)CC(=O)O)CC(=O)O;N[CH](CCNC(=O)[CH](CSSC[CH](NC(=O)CC(O)=O)C(=O)NCC[CH](N)C(O)=O)NC(=O)CC(O)=O)C(O)=O;C(CNC(=O)C(CSSCC(C(=O)NCCC(C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)C(C(=O)O)N","InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-23-17(33)11(25-13(27)5-15(29)30)7-39-40-8-12(26-14(28)6-16(31)32)18(34)24-4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11+,12+/m0/s1","","1999-07-08","2011-06-04","(2S,2'S)-4,4'-[disulfanediylbis({(2S)-2-[(carboxyacetyl)amino]-1-oxopropane-3,1-diyl}imino)]bis(2-aminobutanoic acid) (non-preferred name)",""],["RGT","2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl\n5-O-phosphono-beta-D-ribofuranoside","C15 H25 N5 O21 P4","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(nc(nc12)N)OC3OC(C(O)C3O)COP(=O)(O)O)C(O)C4O;Nc1nc(O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3ncn([CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]4O)c3n1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)nc(nc2OC4C(C(C(O4)COP(=O)(O)O)O)O)N","InChI=1S/C15H25N5O21P4/c16-15-18-11-6(12(19-15)39-14-10(24)8(22)5(38-14)1-35-42(25,26)27)17-3-20(11)13-9(23)7(21)4(37-13)2-36-44(31,32)41-45(33,34)40-43(28,29)30/h3-5,7-10,13-14,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,16,18,19)(H2,25,26,27)(H2,28,29,30)/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1","(Ribose-5'-phosphate)-(guanosine-5'-triphosphate)","2008-07-31","2020-06-17","2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside",""],["59I","(2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid","C15 H23 N O6 S","CC(C)OC(=O)CSC1=C(N[CH]([CH]1C)[CH](C=O)C(C)O)C(O)=O;CC1C(NC(=C1SCC(=O)OC(C)C)C(=O)O)C(C=O)C(C)O","InChI=1S/C15H23NO6S/c1-7(2)22-11(19)6-23-14-8(3)12(10(5-17)9(4)18)16-13(14)15(20)21/h5,7-10,12,16,18H,6H2,1-4H3,(H,20,21)/t8-,9?,10?,12+/m1/s1","","2021-08-12","2024-09-27","(2~{R},3~{R})-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2022-05-11"],["59J","(2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C23 H27 N5 O9 S","c1(ccc(cc1)O)C(NC(=O)N2CCN(C(C2=O)=O)CC)C(=O)NC(C3SCC(C(=N3)C(O)=O)C)C(=O)O;CCN1CCN(C(=O)N[CH](C(=O)N[CH]([CH]2SC[CH](C)C(=N2)C(O)=O)C(O)=O)c3ccc(O)cc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccc(cc2)O)C(=O)NC(C3N=C(C(CS3)C)C(=O)O)C(=O)O","InChI=1S/C23H27N5O9S/c1-3-27-8-9-28(20(32)19(27)31)23(37)26-15(12-4-6-13(29)7-5-12)17(30)24-16(22(35)36)18-25-14(21(33)34)11(2)10-38-18/h4-7,11,15-16,18,29H,3,8-10H2,1-2H3,(H,24,30)(H,26,37)(H,33,34)(H,35,36)/t11-,15+,16-,18+/m0/s1","","2015-08-27","2016-01-08","(2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2016-01-13"],["RGU","(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one","C11 H11 N O","O=C1CC[CH]2Cc3ccccc3N12;c1ccc2c(c1)CC3N2C(=O)CC3","InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1","","2022-11-30","2022-12-09","(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one","2022-12-14"],["RGV","(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde","C13 H15 N3 O2","C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C;CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24)C=O;CN1C2CC3C1(CN(C3)C=O)C(=O)c4c2c[nH]c4","InChI=1S/C13H15N3O2/c1-15-11-2-8-5-16(7-17)6-13(8,15)12(18)10-4-14-3-9(10)11/h3-4,7-8,11,14H,2,5-6H2,1H3/t8-,11-,13+/m0/s1","","2020-02-12","2020-04-03","(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde","2020-04-08"],["59K","4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","C15 H15 F3 N6 S2","c12ncnc(c1cc(CC(F)(F)F)s2)N3CCN(CC3)c4nnc(s4)C;Cc1sc(nn1)N2CCN(CC2)c3ncnc4sc(CC(F)(F)F)cc34;Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F","InChI=1S/C15H15F3N6S2/c1-9-21-22-14(25-9)24-4-2-23(3-5-24)12-11-6-10(7-15(16,17)18)26-13(11)20-8-19-12/h6,8H,2-5,7H2,1H3","","2015-08-27","2015-09-04","4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","2015-09-09"],["RGW","~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide","C30 H36 Cl N5 O S","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCC45CC6CC(CC(C6)C4)C5)N[CH](c7ccc(Cl)cc7)c2c1C;Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C","InChI=1S/C30H36ClN5OS/c1-16-17(2)38-29-26(16)27(22-4-6-23(31)7-5-22)33-24(28-35-34-18(3)36(28)29)11-25(37)32-15-30-12-19-8-20(13-30)10-21(9-19)14-30/h4-7,19-21,24,27,33H,8-15H2,1-3H3,(H,32,37)/t19-,20+,21-,24-,27+,30-/m0/s1","","2020-09-29","2020-11-27","~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide","2020-12-02"],["59L","2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid","C15 H12 N2 O6","c1c(c(c(cc1)C)Nc2cc([N+]([O-])=O)ccc2C(O)=O)C(=O)O;Cc1cccc(C(O)=O)c1Nc2cc(ccc2C(O)=O)[N+]([O-])=O;Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O","InChI=1S/C15H12N2O6/c1-8-3-2-4-11(15(20)21)13(8)16-12-7-9(17(22)23)5-6-10(12)14(18)19/h2-7,16H,1H3,(H,18,19)(H,20,21)","","2015-05-06","2016-05-06","2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid","2016-05-11"],["RGX","(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H21 Cl N4 O3 S","O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)NC5CC5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)NC5CC5","InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["59M","4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","C15 H14 F4 N6 S2","c14c(c(ncn1)N2CCN(CC2)c3sc(nn3)CF)cc(CC(F)(F)F)s4;FCc1sc(nn1)N2CCN(CC2)c3ncnc4sc(CC(F)(F)F)cc34;c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F","InChI=1S/C15H14F4N6S2/c16-7-11-22-23-14(27-11)25-3-1-24(2-4-25)12-10-5-9(6-15(17,18)19)26-13(10)21-8-20-12/h5,8H,1-4,6-7H2","","2015-08-27","2020-06-27","4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","2015-09-09"],["RGY","(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol","C12 H17 N3 O2","N1(C3c4onc(C)c4C(C12C(CNC2)C3)O)C;CN1[CH]2C[CH]3CNC[C]13[CH](O)c4c(C)noc24;Cc1c2c(on1)C3CC4CNCC4(C2O)N3C","InChI=1S/C12H17N3O2/c1-6-9-10(17-14-6)8-3-7-4-13-5-12(7,11(9)16)15(8)2/h7-8,11,13,16H,3-5H2,1-2H3/t7-,8-,11+,12+/m0/s1","","2020-02-12","2020-04-03","(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol","2020-04-08"],["59N","8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C27 H30 Cl N7 O","N(c4nc3N(C(=O)C(c1ccc(cc1Cl)c2nc(cnc2)C)=Cc3cn4)CC5CCC(N)CC5)CC;CCNc1ncc2C=C(C(=O)N(C[CH]3CC[CH](N)CC3)c2n1)c4ccc(cc4Cl)c5cncc(C)n5;CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N","InChI=1S/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20-","","2015-08-27","2016-09-16","8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","2016-09-21"],["RGZ","(R)-ROSIGLITAZONE","C18 H19 N3 O3 S","O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3;CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3ccccn3;CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3","InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m1/s1","","2011-11-11","2014-04-14","(5R)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione",""],["59O","methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside","C22 H22 Cl N O10","COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3ccc(Cl)cc3[N+]([O-])=O;Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)c3ccc(cc3[N+](=O)[O-])Cl)OC)CO)O","InChI=1S/C22H22ClNO10/c1-11-3-5-12(6-4-11)20(27)33-18-17(26)16(10-25)32-22(31-2)19(18)34-21(28)14-8-7-13(23)9-15(14)24(29)30/h3-9,16-19,22,25-26H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1","","2021-07-16","2022-07-08","methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside","2022-07-13"],["59Q","4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","C15 H13 F5 N6 S2","c12ncnc(c1cc(CC(F)(F)F)s2)N3CCN(CC3)c4nnc(s4)C(F)F;FC(F)c1sc(nn1)N2CCN(CC2)c3ncnc4sc(CC(F)(F)F)cc34;c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F","InChI=1S/C15H13F5N6S2/c16-10(17)13-23-24-14(28-13)26-3-1-25(2-4-26)11-9-5-8(6-15(18,19)20)27-12(9)22-7-21-11/h5,7,10H,1-4,6H2","MI-319","2015-08-27","2020-06-17","4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine","2015-09-09"],["RH","Rhodium","Rh","[Rh+];[Rh+]","InChI=1S/Rh/q+1","","2008-10-31","2023-09-23","rhodium(1+)",""],["RH0","3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid","C12 H17 N O3 S","O=C(O)CC(N)C(O)CSCc1ccccc1;N[CH](CC(O)=O)[CH](O)CSCc1ccccc1;c1ccc(cc1)CSCC(C(CC(=O)O)N)O","InChI=1S/C12H17NO3S/c13-10(6-12(15)16)11(14)8-17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11+/m0/s1","","2010-10-09","2012-01-13","3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid",""],["59R","6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine","C20 H27 F N4 O","Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3;Nc1cccc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)n1;c1cc(cc(c1)F)CCNCCOC2CNCC2Cc3cccc(n3)N","InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m1/s1","","2010-06-30","2011-06-04","6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine",""],["RH1","2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE","C12 H14 N2 O3","O=C1C(=C(C(=O)C(=C1N2CC2)C)N3CC3)CO;CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO;CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3","InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3","","2001-06-06","2011-06-04","2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione",""],["59S","(2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide","C29 H42 N4 O6","COc1ccc(C=CC(=O)N[CH](C(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O)cc1;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)C=Cc2ccc(cc2)OC","InChI=1S/C29H42N4O6/c1-18(2)15-24(28(37)31-22(17-34)16-21-7-6-14-30-27(21)36)32-29(38)26(19(3)4)33-25(35)13-10-20-8-11-23(39-5)12-9-20/h8-13,17-19,21-22,24,26H,6-7,14-16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,35)/b13-10+/t21-,22-,24-,26-/m0/s1","","2022-02-02","2022-04-08","(2~{S})-2-[[(2~{S})-2-[[(~{E})-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide","2022-04-13"],["RH2","N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide","C16 H22 N4 O S","NC(C(NCc1sc(cc1)c2cccnc2)CCCCN)=O;NCCCC[CH](NCc1sc(cc1)c2cccnc2)C(N)=O;c1cc(cnc1)c2ccc(s2)CNC(CCCCN)C(=O)N","InChI=1S/C16H22N4OS/c17-8-2-1-5-14(16(18)21)20-11-13-6-7-15(22-13)12-4-3-9-19-10-12/h3-4,6-7,9-10,14,20H,1-2,5,8,11,17H2,(H2,18,21)/t14-/m0/s1","","2014-07-28","2015-05-08","N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide","2015-05-13"],["59T","8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C25 H25 Cl N6 O3","n1c(cccc1C)c2ccc(c(c2)Cl)C=3C(=O)N(c4nc(ncc4C=3)NC)CC5OCC(CO5)N;CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5cccc(C)n5;Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC","InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-","","2015-08-27","2016-01-22","8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","2016-01-27"],["RH3","RHODIUM(III) ION","Rh","[Rh+3];[Rh+3];[Rh+3]","InChI=1S/Rh/q+3","","2009-10-20","2011-06-04","rhodium(3+)",""],["59U","6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C28 H32 Cl N7 O","c2(ccc(c1cncc(C)n1)cc2Cl)C=5C(N(c4nc(NCCC3CCN(CC3)C)ncc4C=5)CC)=O;CCN1C(=O)C(=Cc2cnc(NCCC3CCN(C)CC3)nc12)c4ccc(cc4Cl)c5cncc(C)n5;CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C","InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)","","2015-08-27","2016-01-22","6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","2016-01-27"],["RH4","methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate","C13 H13 N O3","c2(CC(c1ccncc1)C(OC)=O)ccco2;COC(=O)[CH](Cc1occc1)c2ccncc2;COC(=O)C(Cc1ccco1)c2ccncc2","InChI=1S/C13H13NO3/c1-16-13(15)12(9-11-3-2-8-17-11)10-4-6-14-7-5-10/h2-8,12H,9H2,1H3/t12-/m1/s1","","2020-02-12","2020-04-03","methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate","2020-04-08"],["59V","6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine","C15 H12 F6 N6 S2","c12ncnc(c1cc(CC(F)(F)F)s2)N3CCN(CC3)c4nnc(s4)C(F)(F)F;FC(F)(F)Cc1sc2ncnc(N3CCN(CC3)c4sc(nn4)C(F)(F)F)c2c1;c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F","InChI=1S/C15H12F6N6S2/c16-14(17,18)6-8-5-9-10(22-7-23-11(9)28-8)26-1-3-27(4-2-26)13-25-24-12(29-13)15(19,20)21/h5,7H,1-4,6H2","MI-352","2015-08-27","2020-06-17","6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine","2016-07-06"],["59W","6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine","C20 H27 F N4 O","Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3;Nc1cccc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)n1;c1cc(cc(c1)F)CCNCCOC2CNCC2Cc3cccc(n3)N","InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m0/s1","","2010-07-01","2011-06-04","6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine",""],["RH5","4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide","C21 H20 B N3 O3","NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3;B1(c2ccccc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N)O","InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m1/s1","","2019-08-16","2024-09-27","4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide","2019-09-25"],["RH6","(2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form","C16 H19 N O2","CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1;CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C=CC","InChI=1S/C16H19NO2/c1-4-7-13-10-12-8-9-14(17(5-2)6-3)11-15(12)19-16(13)18/h4,7-11H,5-6H2,1-3H3/b7-4+","","2022-06-23","2024-09-27","7-(diethylamino)-3-[(1E)-prop-1-en-1-yl]-2H-1-benzopyran-2-one","2023-02-01"],["59X","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine","C17 H22 F N5 S2","c12sc(CCF)cc1c(ncn2)N3CCN(CC3)C=4SC(C)(C)CN=4;CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CCF)cc34;CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C","InChI=1S/C17H22FN5S2/c1-17(2)10-19-16(25-17)23-7-5-22(6-8-23)14-13-9-12(3-4-18)24-15(13)21-11-20-14/h9,11H,3-8,10H2,1-2H3","MI-836","2015-08-27","2020-06-17","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine","2015-09-09"],["59Y","8-(naphthalen-1-yl)quinoline-2-carboxylic acid","C20 H13 N O2","c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4;OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1;c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O","InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23)","","2015-08-28","2015-09-25","8-(naphthalen-1-yl)quinoline-2-carboxylic acid","2015-09-30"],["RH7","methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate","C13 H15 N3 O3","c41nccnc1C3CC2CN(C(OC)=O)CC2(O3)C4;COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4nccnc34;COC(=O)N1CC2CC3c4c(nccn4)CC2(C1)O3","InChI=1S/C13H15N3O3/c1-18-12(17)16-6-8-4-10-11-9(14-2-3-15-11)5-13(8,7-16)19-10/h2-3,8,10H,4-7H2,1H3/t8-,10-,13+/m0/s1","","2020-02-12","2020-04-03","methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate","2020-04-08"],["RH8","~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","C21 H21 F N8","CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F;CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5","InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27)","","2020-09-29","2020-11-06","~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine","2020-11-11"],["59Z","{2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid","C16 H15 N2 O6 P","C(NC(c2cc3ccc1c(cccc1)c3n2CC(O)=O)=O)P(O)(=O)O;OC(=O)Cn1c(cc2ccc3ccccc3c12)C(=O)NC[P](O)(O)=O;c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O","InChI=1S/C16H15N2O6P/c19-14(20)8-18-13(16(21)17-9-25(22,23)24)7-11-6-5-10-3-1-2-4-12(10)15(11)18/h1-7H,8-9H2,(H,17,21)(H,19,20)(H2,22,23,24)","","2015-08-28","2016-07-08","{2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid","2016-07-13"],["5A0","6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine","C17 H21 F2 N5 S2","c12ncnc(c1cc(CC(F)F)s2)N3CCN(CC3)C4=NCC(S4)(C)C;CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CC(F)F)cc34;CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C","InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3","MI-859","2015-08-28","2021-03-01","6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine","2015-09-09"],["RH9","RHIZOPODIN","C78 H124 N4 O22","O=C(C(C)C(OC)CC=CN(C=O)C)CCC(C)C(OC)CC3OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c1nc(oc1)CC(O)C(C)(C)C(OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c2nc(oc2)CC(O)C3(C)C)CC(OC)C(C)CCC(=O)C(C)C(OC)CC=CN(C=O)C;CO[CH]1C[CH](O)CC(=O)O[CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=O)OC)C(C)(C)[CH](O)Cc2occ(n2)[CH](CC=CC=C[CH](C[CH](O)CC(=O)O[CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=O)OC)C(C)(C)[CH](O)Cc3occ(n3)[CH](CC=CC=C1)OC)OC)OC;CC(CCC(=O)C(C)C(CC=CN(C)C=O)OC)C(CC1C(C(Cc2nc(co2)C(CC=CC=CC(CC(CC(=O)OC(C(C(Cc3nc(co3)C(CC=CC=CC(CC(CC(=O)O1)O)OC)OC)O)(C)C)CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC","InChI=1S/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-71-77(5,6)69(89)45-73-79-59(47-101-73)65(97-15)29-23-20-22-28-58(94-12)40-56(86)42-76(92)104-72(44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84)78(7,8)70(90)46-74-80-60(48-102-74)66(98-16)30-24-19-21-27-57(93-11)39-55(85)41-75(91)103-71/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-20+,24-19+,27-21+,28-22+,37-25+,38-26+/t51-,52-,53-,54-,55-,56-,57-,58-,63+,64+,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1","","2008-07-25","2011-06-04","N,N'-{[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34E,37S)-3,9,23,29-tetrahydroxy-11,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.1~18,21~]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaene-5,25-diyl]bis[(1E,4R,5R,9S,10S)-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-ene-11,1-diyl]}bis(N-methylformamide)",""],["RHA","6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose","C6 H13 O8 P","O=P(OC1OC(C(O)C(O)C1O)C)(O)O;C[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)O)O)O)O","InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1","6-DEOXY-MANNOSE-1'-PHOSPHATE; 6-deoxy-1-O-phosphono-alpha-L-mannopyranose; 6-deoxy-1-O-phosphono-alpha-L-rhamnose;\n6-deoxy-1-O-phosphono-L-rhamnose; 6-deoxy-1-O-phosphono-rhamnose","1999-07-08","2020-07-17","6-deoxy-1-O-phosphono-alpha-L-mannopyranose",""],["5A1","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine","C17 H18 F5 N5 S2","c14c(c(ncn1)N2CCN(CC2)C=3SC(C)(C)CN=3)cc(C(C(F)(F)F)(F)F)s4;CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(cc34)C(F)(F)C(F)(F)F;CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C","InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3","MI-273","2015-08-28","2021-03-01","4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine","2015-09-09"],["RHB","N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium","C28 H31 N2 O3","O=C(O)c4ccccc4C=1c3c(OC=2C=1C=C/C(=[N+](/CC)CC)C=2)cc(cc3)N(CC)CC;CCN(CC)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(O)=O)=[N+](CC)CC)c1;CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O","InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1","","2012-08-22","2013-02-15","N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium","2013-02-15"],["5A2","3,5-di-methylenebisphosphonate inositol tetrakisphosphate","C8 H24 O28 P8","C1(C(C(C(C(C1OP(O)(O)=O)OP(O)(CP(O)(O)=O)=O)OP(O)(=O)O)OP(CP(O)(O)=O)(=O)O)OP(O)(=O)O)OP(O)(O)=O;O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)C[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(P(=O)(O)O)P(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C8H24O28P8/c9-37(10,11)1-39(15,16)31-3-5(33-41(19,20)21)4(32-40(17,18)2-38(12,13)14)7(35-43(25,26)27)8(36-44(28,29)30)6(3)34-42(22,23)24/h3-8H,1-2H2,(H,15,16)(H,17,18)(H2,9,10,11)(H2,12,13,14)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t3-,4+,5-,6-,7-,8-/m1/s1","{[(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)","2015-08-28","2021-03-13","{[(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)","2016-08-10"],["RHC","(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid","C9 H17 N O6 S","O=C(O)C(N)CCSCC1OC(O)C(O)C1O;N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O)=O;C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N","InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1","5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL","2001-09-10","2020-07-17","(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred\nname)",""],["5A3","Methylenebisphosphonate inositol pentakisphosphate","C7 H21 O26 P7","O=P(OC1C(C(C(C(OP(CP(O)(O)=O)(=O)O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)(O)O;O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(P(=O)(O)O)P(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4+,5+,6-,7+","{[(R)-hydroxy{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid","2015-08-28","2020-06-17","{[(R)-hydroxy{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid","2016-08-10"],["RHD","RHODIUM HEXAMINE ION","H18 N6 Rh","N.N.N.N.N.N.[Rh+3];[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3]","InChI=1S/6H3N.Rh/h6*1H3;/q;;;;;;+3","","1999-07-08","2023-09-23","hexakis($l^{4}-azanyl)rhodium(3+)",""],["5A4","methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside","C22 H22 F N O10","COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(F)cc1[N+]([O-])=O;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3ccc(F)cc3[N+]([O-])=O;Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)c3ccc(cc3[N+](=O)[O-])F)OC)CO)O","InChI=1S/C22H22FNO10/c1-11-3-5-12(6-4-11)20(27)33-18-17(26)16(10-25)32-22(31-2)19(18)34-21(28)14-8-7-13(23)9-15(14)24(29)30/h3-9,16-19,22,25-26H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1","","2021-07-16","2022-07-08","methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside","2022-07-13"],["RHE","rhenium (IV) hexachloride","Cl6 Re","Cl[Re](Cl)(Cl)(Cl)(Cl)Cl;Cl[Re](Cl)(Cl)(Cl)(Cl)Cl;Cl[Re](Cl)(Cl)(Cl)(Cl)Cl","InChI=1S/6ClH.Re/h6*1H;/q;;;;;;+6/p-6","hexachlororhenate ion","2010-03-22","2020-06-17","rhenium(6+) hexachloride",""],["5A5","2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid","C14 H16 N2 O2 S","CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1;CC(C)c1ccc(cc1)Cc2c(nc(s2)N)C(=O)O","InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18)","","2023-01-09","2023-10-27","2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid","2023-11-01"],["638","[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]","C41 H38 N6 O5 S2","O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7;O[CH]1[CH](O)[CH](Cc2ccccc2)N(Cc3cccc(c3)C(=O)Nc4sccn4)C(=O)N(Cc5cccc(c5)C(=O)Nc6sccn6)[CH]1Cc7ccccc7;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O","InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H","XV638","1999-07-08","2008-10-14","3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide)",""],["RHF","RHODIUM(II) ION","Rh","[Rh+2];[Rh++];[Rh+2]","InChI=1S/Rh/q+2","","2022-07-12","2022-12-09","rhodium(2+)","2022-12-14"],["RHG","(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine","C10 H15 F3 N2 O3 S","C2NCC13C(CN(C1)S(C(F)(F)F)(=O)=O)CC(C2)O3;FC(F)(F)[S](=O)(=O)N1C[CH]2C[CH]3CCNC[C]2(C1)O3;C1CNCC23CN(CC2CC1O3)S(=O)(=O)C(F)(F)F","InChI=1S/C10H15F3N2O3S/c11-10(12,13)19(16,17)15-4-7-3-8-1-2-14-5-9(7,6-15)18-8/h7-8,14H,1-6H2/t7-,8+,9+/m0/s1","","2020-02-12","2020-04-03","(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine","2020-04-08"],["639","6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile","C23 H17 N7","c1(ccc(cc1)C#N)Nc4ncnc(Nc3c(c2c(cc(cc2)C#N)cc3C)C)n4;Cc1cc2cc(ccc2c(C)c1Nc3ncnc(Nc4ccc(cc4)C#N)n3)C#N;Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N","InChI=1S/C23H17N7/c1-14-9-18-10-17(12-25)5-8-20(18)15(2)21(14)29-23-27-13-26-22(30-23)28-19-6-3-16(11-24)4-7-19/h3-10,13H,1-2H3,(H2,26,27,28,29,30)","","2015-06-17","2015-07-24","6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylnaphthalene-2-carbonitrile","2015-07-29"],["RHH","4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","C19 H19 N7 O","Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4;Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N","InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25)","","2020-09-29","2021-05-21","4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","2021-05-26"],["63A","1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr\nolidin-1-yl]propan-1-one","C19 H22 F3 N7 O2","N1(C(=O)CC)CC(C(F)(F)F)C(C1)COc2c4c(nc(n2)Nc3cn(nc3)C)ncc4;CCC(=O)N1C[CH](COc2nc(Nc3cnn(C)c3)nc4[nH]ccc24)[CH](C1)C(F)(F)F;CCC(=O)N1CC(C(C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C","InChI=1S/C19H22F3N7O2/c1-3-15(30)29-7-11(14(9-29)19(20,21)22)10-31-17-13-4-5-23-16(13)26-18(27-17)25-12-6-24-28(2)8-12/h4-6,8,11,14H,3,7,9-10H2,1-2H3,(H2,23,25,26,27)/t11-,14+/m1/s1","Bound form of\n1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrro\nlidin-1-yl]prop-2-en-1-one","2016-01-18","2024-09-27","1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one","2016-02-03"],["RHI","(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H23 Cl N4 O4 S","CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC;CNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1;CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O)C)Cl","InChI=1S/C23H23ClN4O4S/c1-25-22(29)13-28-11-14-3-4-16(24)8-19(14)20(12-28)23(30)27-21-10-26-9-15-7-17(33(2,31)32)5-6-18(15)21/h3-10,20H,11-13H2,1-2H3,(H,25,29)(H,27,30)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["63B","methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate","C20 H14 F N7 O2 S","n23c(ccc(c1ccc(F)cc1)n2)nnc3Sc4ccc5c(c4)nc(n5)NC(OC)=O;COC(=O)Nc1[nH]c2cc(Sc3nnc4ccc(nn34)c5ccc(F)cc5)ccc2n1;COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F","InChI=1S/C20H14FN7O2S/c1-30-20(29)24-18-22-15-7-6-13(10-16(15)23-18)31-19-26-25-17-9-8-14(27-28(17)19)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,22,23,24,29)","","2016-01-19","2016-11-18","methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate","2016-11-23"],["63C","(3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}","C26 H25 Cl F N5 O4","O=C(NC)CN4CC(C(=O)Nc1ccc(Cl)cc1)C(C(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)C4;CNC(=O)CN1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4;CNC(=O)CN1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl","InChI=1S/C26H25ClFN5O4/c1-29-23(34)15-32-13-19(25(36)30-17-7-5-16(27)6-8-17)20(14-32)26(37)31-22-10-9-18(12-21(22)28)33-11-3-2-4-24(33)35/h2-12,19-20H,13-15H2,1H3,(H,29,34)(H,30,36)(H,31,37)/t19-,20-/m0/s1","","2010-04-15","2011-06-04","(3R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-3,4-dicarboxamide",""],["RHJ","cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone","C14 H21 N O4","O=C(N1CC2CC3CC(O)C(O)C2(C1)O3)C1CCC1;O[CH]1C[CH]2C[CH]3CN(C[C]3(O2)[CH]1O)C(=O)C4CCC4;C1CC(C1)C(=O)N2CC3CC4CC(C(C3(C2)O4)O)O","InChI=1S/C14H21NO4/c16-11-5-10-4-9-6-15(13(18)8-2-1-3-8)7-14(9,19-10)12(11)17/h8-12,16-17H,1-7H2/t9-,10-,11?,12?,14+/m0/s1","","2020-02-12","2023-05-25","cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone","2020-04-08"],["RHL","[N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium","C22 H31 N3 O Rh","O=C(N1c3n([Rh]n2c1cccc2)cccc3)CCCCCCCCCCC;[Rh]|1|n2ccccc2N(C(=O)CCCCCCCCCCC)c3ccccn|13;CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31","InChI=1S/C22H31N3O.Rh/c1-2-3-4-5-6-7-8-9-10-17-22(26)25(20-15-11-13-18-23-20)21-16-12-14-19-24-21;/h11-16,18-19H,2-10,17H2,1H3;","","2013-05-27","2013-08-30","[N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium","2013-09-04"],["63D","4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid","C24 H32 Cl N O7 S","O=C(c1cc(S(=O)(=O)N)c(Cl)cc1OCc2cc(O)cc(c2)OCCCCCCCCCC)O;CCCCCCCCCCOc1cc(O)cc(COc2cc(Cl)c(cc2C(O)=O)[S](N)(=O)=O)c1;CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl","InChI=1S/C24H32ClNO7S/c1-2-3-4-5-6-7-8-9-10-32-19-12-17(11-18(27)13-19)16-33-22-15-21(25)23(34(26,30)31)14-20(22)24(28)29/h11-15,27H,2-10,16H2,1H3,(H,28,29)(H2,26,30,31)","","2016-01-19","2016-09-02","4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid","2016-09-07"],["RHM","DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE","C22 H27 N6 Rh","N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C;C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3;CC1CNCCN2CC(N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C","InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-7(9)5-11-3-4-12-6-8(2)10;/h1-8H;7-11H,3-6H2,1-2H3;/q-2;-3;+7/t;7-,8-;/m.1./s1","RH(ME2TRIEN)PHI","1999-07-08","2020-06-17","[(2R,2'R)-N~1~,N~1~'-ethane-1,2-diyldipropane-1,2-diaminato(3-)-kappa~2~N,N'][phenanthrene-9,10-diiminato(2-)-kappa~2~N,N']rhodium(2+)",""],["63E","4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","C15 H17 N5","c3cnc1c(c(cn1)c2nc(N)nc(c2)CCCC)c3;CCCCc1cc(nc(N)n1)c2c[nH]c3ncccc23;CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3","InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)","","2016-01-19","2016-06-03","4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","2016-06-08"],["RHN","4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid","C15 H8 O6","O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3;OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1;c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O","InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)","Rhein; Rhubarb Yellow","2011-03-15","2020-06-17","4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",""],["63F","N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide","C28 H26 F6 N6 O6 S","O=S(=O)(c1ccc(OC(F)(F)F)cc1)N5C(C(=O)NCc2ccc(OC(F)(F)F)cc2)CN(c4nnc(C(=O)NC3CC3)cc4)CC5;FC(F)(F)Oc1ccc(CNC(=O)[CH]2CN(CCN2[S](=O)(=O)c3ccc(OC(F)(F)F)cc3)c4ccc(nn4)C(=O)NC5CC5)cc1;c1cc(ccc1CNC(=O)C2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F","InChI=1S/C28H26F6N6O6S/c29-27(30,31)45-19-5-1-17(2-6-19)15-35-26(42)23-16-39(24-12-11-22(37-38-24)25(41)36-18-3-4-18)13-14-40(23)47(43,44)21-9-7-20(8-10-21)46-28(32,33)34/h1-2,5-12,18,23H,3-4,13-16H2,(H,35,42)(H,36,41)/t23-/m1/s1","","2011-02-12","2011-06-04","N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide",""],["63G","(6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one","C13 H18 N5 O8 P","O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O;O[CH]1CCN2C(=O)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3N=C2N1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC(CCN4C2=O)O","InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8-,9+/m0/s1","","2009-01-08","2011-06-04","(6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one",""],["RHO","TETRAMETHYLRHODAMINE-5-MALEIMIDE","C28 H25 N3 O5","O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)c(C(=O)O)c5;CN(C)C1=CCC2=C(c3ccc(cc3OC2=C1)N(C)C)c4ccc(cc4C(O)=O)N5C(=O)C=CC5=O;CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C","InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)","TMR","2001-05-23","2020-06-17","2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid",""],["RHP","(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL","C12 H13 N O","Oc1ccc2c(c1)C(NCC#C)CC2;Oc1ccc2CC[CH](NCC#C)c2c1;C#CCNC1CCc2c1cc(cc2)O","InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1","5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN","2004-01-15","2021-03-01","(3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol",""],["63H","(6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one","C13 H18 N5 O8 P","O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O;O[CH]1CCN2C(=O)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3N=C2N1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC(CCN4C2=O)O","InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8+,9+/m0/s1","","2009-04-15","2011-06-04","(6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one",""],["63I","(1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol","C25 H27 F N6 O","CN1CCC(CC1)[C](C)(O)c2ccc3cnc(Nc4ccc(cc4F)n5cccn5)cc3n2;CC(c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O","InChI=1S/C25H27FN6O/c1-25(33,18-8-12-31(2)13-9-18)23-7-4-17-16-27-24(15-22(17)29-23)30-21-6-5-19(14-20(21)26)32-11-3-10-28-32/h3-7,10-11,14-16,18,33H,8-9,12-13H2,1-2H3,(H,27,30)/t25-/m1/s1","","2021-09-09","2022-03-04","(1~{R})-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol","2022-03-09"],["RHQ","RHODAMINE 6G","C28 H31 N2 O3","O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(C(=[NH+]/CC)C=2)C)cc(c(c3)C)NCC;CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C;CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)c4ccccc4C(=O)OCC","InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24-","","2001-09-12","2012-01-05","N-[(3Z)-9-[2-(ethoxycarbonyl)phenyl]-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]ethanaminium",""],["RHR","(2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate","C52 H107 O6 P","CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(OCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COP(O)(=O)O;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(O)=O)OC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O)OCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C52H107O6P/c1-42(2)21-13-23-44(5)25-15-27-46(7)29-17-31-48(9)33-19-35-50(11)37-38-56-40-52(41-58-59(53,54)55)57-39-51(12)36-20-34-49(10)32-18-30-47(8)28-16-26-45(6)24-14-22-43(3)4/h42-52H,13-41H2,1-12H3,(H2,53,54,55)/t44-,45+,46-,47-,48-,49-,50+,51+,52-/m0/s1","","2022-06-23","2023-03-17","(2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate","2023-03-22"],["63J","2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide","C26 H24 F3 N7 O3 S","C(c1ncccc1)C(Nc4nnc(CCCCc2nnc(cc2)NC(Cc3cccc(c3)OC(F)(F)F)=O)s4)=O;FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3sc(NC(=O)Cc4ccccn4)nn3)nn2)c1;c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F","InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)","","2016-01-19","2016-07-29","2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide","2016-08-03"],["RHS","3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN","C13 H26 N2 O2","O=C(NC(CC)CC)CC(C(=O)N)C(C)(C)C;CCC(CC)NC(=O)C[CH](C(N)=O)C(C)(C)C;CCC(CC)NC(=O)CC(C(=O)N)C(C)(C)C","InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m0/s1","","1999-07-08","2011-06-04","(2R)-2-tert-butyl-N~4~-(1-ethylpropyl)butanediamide",""],["63K","1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea","C25 H23 F N8 O2 S2","c1cc(ccc1c3ccc2nnc(n2n3)Sc5ccc6nc(NC(NCCN4CCOCC4)=O)sc6c5)F;Fc1ccc(cc1)c2ccc3nnc(Sc4ccc5nc(NC(=O)NCCN6CCOCC6)sc5c4)n3n2;c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F","InChI=1S/C25H23FN8O2S2/c26-17-3-1-16(2-4-17)19-7-8-22-30-31-25(34(22)32-19)37-18-5-6-20-21(15-18)38-24(28-20)29-23(35)27-9-10-33-11-13-36-14-12-33/h1-8,15H,9-14H2,(H2,27,28,29,35)","","2016-01-20","2016-11-18","1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea","2016-11-23"],["RHT","4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine","C13 H13 N5","Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3;Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N","InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17)","","2020-09-30","2021-05-21","4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine","2021-05-26"],["63L","5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide","C6 H9 N5 O2 S","c1(c(n(C(N)=O)nc1SC)N)C(=O)N;CSc1nn(C(N)=O)c(N)c1C(N)=O;CSc1c(c(n(n1)C(=O)N)N)C(=O)N","InChI=1S/C6H9N5O2S/c1-14-5-2(4(8)12)3(7)11(10-5)6(9)13/h7H2,1H3,(H2,8,12)(H2,9,13)","5-Amino-3-methylsulfanyl-pyrazole-1,4-dicarboxylicacid diamide","2016-01-20","2020-06-17","5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide","2016-06-08"],["RHU","4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol","C4 H4 F3 N3 S","Cn1c(S)nnc1C(F)(F)F;Cn1c(nnc1S)C(F)(F)F","InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)","","2015-08-18","2015-10-30","4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol","2015-11-04"],["63M","N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C15 H19 N7 O3 S","CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(c3ccnn3C)=O;Cn1nccc1[S](=O)(=O)Nc2ccn3ncc(C(=O)NC(C)(C)C)c3n2;CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C","InChI=1S/C15H19N7O3S/c1-15(2,3)19-14(23)10-9-17-22-8-6-11(18-13(10)22)20-26(24,25)12-5-7-16-21(12)4/h5-9H,1-4H3,(H,18,20)(H,19,23)","","2016-01-20","2016-04-01","N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-04-06"],["RHV","ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate","C13 H18 N2 O3","C(C(NCC(OCC)=O)=O)(C)c1cc(C)ccn1;CCOC(=O)CNC(=O)[CH](C)c1cc(C)ccn1;CCOC(=O)CNC(=O)C(C)c1cc(ccn1)C","InChI=1S/C13H18N2O3/c1-4-18-12(16)8-15-13(17)10(3)11-7-9(2)5-6-14-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m1/s1","","2020-02-12","2020-04-03","ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate","2020-04-08"],["63N","N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine","C19 H20 N8 O2 S","c3(Nc2cc1c(ncn1C(C)C)cn2)ccnc(n3)c4cn(nc4)S(C5CC5)(=O)=O;CC(C)n1cnc2cnc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)cc12;CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5","InChI=1S/C19H20N8O2S/c1-12(2)26-11-22-15-9-21-18(7-16(15)26)24-17-5-6-20-19(25-17)13-8-23-27(10-13)30(28,29)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,20,21,24,25)","","2016-01-20","2016-04-01","N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine","2016-04-06"],["63O","N-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-Nalpha-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-L-phenylalaninamide","C33 H41 F N6 O4","CN(C)C(=O)CC1(CCCC1)CC(NCCc2ccc(cc2)NC(C(NC(=O)c3n(ncc3)C)Cc4ccccc4F)=O)=O;CN(C)C(=O)CC1(CCCC1)CC(=O)NCCc2ccc(NC(=O)[CH](Cc3ccccc3F)NC(=O)c4ccnn4C)cc2;Cn1c(ccn1)C(=O)NC(Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C","InChI=1S/C33H41FN6O4/c1-39(2)30(42)22-33(16-6-7-17-33)21-29(41)35-18-14-23-10-12-25(13-11-23)37-31(43)27(20-24-8-4-5-9-26(24)34)38-32(44)28-15-19-36-40(28)3/h4-5,8-13,15,19,27H,6-7,14,16-18,20-22H2,1-3H3,(H,35,41)(H,37,43)(H,38,44)/t27-/m0/s1","","2016-01-20","2016-08-24","N-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-Nalpha-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-L-phenylalaninamide","2016-08-31"],["RHW","4-(1-benzofuran-5-yl)pyridine-2,6-diamine","C13 H11 N3 O","Nc1cc(cc(N)n1)c2ccc3occc3c2;c1cc2c(cco2)cc1c3cc(nc(c3)N)N","InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)","","2020-09-30","2021-05-21","4-(1-benzofuran-5-yl)pyridine-2,6-diamine","2021-05-26"],["RHX","[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III)","C24 H19 N2 O2 Rh","[Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5;c1ccc(cc1)C2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7ccccc7","InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18;/h1-13,21-22H,15-16H2;/t21-,22-;/m1./s1","[2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+)","2007-02-23","2023-09-23","",""],["63P","(9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide","C37 H39 Cl N6 O5","c6cc(C(=O)NC2Cc1c(ccc(c1)Oc5ccc(C4(CC(NC(Cc3ccc(NC2=O)cc3)C(NC)=O)=O)CCCC4)cc5)Cl)n(C)n6;CNC(=O)[CH]1Cc2ccc(NC(=O)[CH](Cc3cc(Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)ccc3Cl)NC(=O)c6ccnn6C)cc2;CNC(=O)C1Cc2ccc(cc2)NC(=O)C(Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C","InChI=1S/C37H39ClN6O5/c1-39-34(46)30-19-23-5-9-26(10-6-23)41-35(47)31(43-36(48)32-15-18-40-44(32)2)21-24-20-28(13-14-29(24)38)49-27-11-7-25(8-12-27)37(16-3-4-17-37)22-33(45)42-30/h5-15,18,20,30-31H,3-4,16-17,19,21-22H2,1-2H3,(H,39,46)(H,41,47)(H,42,45)(H,43,48)/t30-,31+/m1/s1","","2016-01-20","2016-08-24","(9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide","2016-08-31"],["RHY","1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one","C12 H15 N3 O2","C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4;CC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34;CC(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3","InChI=1S/C12H15N3O2/c1-7(16)15-4-8-2-10-11-9(13-6-14-11)3-12(8,5-15)17-10/h6,8,10H,2-5H2,1H3,(H,13,14)/t8-,10-,12+/m0/s1","","2020-02-12","2020-04-03","1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one","2020-04-08"],["63Q","(4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide","C33 H33 Cl N6 O4","Cn5nccc5C(NC1Cc4c(ccc(c3cccc(CCC(NC(Cc2ccc(NC1=O)cc2)C(NC)=O)=O)c3)c4)Cl)=O;CNC(=O)[CH]1Cc2ccc(NC(=O)[CH](Cc3cc(ccc3Cl)c4cccc(CCC(=O)N1)c4)NC(=O)c5ccnn5C)cc2;CNC(=O)C1Cc2ccc(cc2)NC(=O)C(Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C","InChI=1S/C33H33ClN6O4/c1-35-31(42)27-17-21-6-10-25(11-7-21)37-32(43)28(39-33(44)29-14-15-36-40(29)2)19-24-18-23(9-12-26(24)34)22-5-3-4-20(16-22)8-13-30(41)38-27/h3-7,9-12,14-16,18,27-28H,8,13,17,19H2,1-2H3,(H,35,42)(H,37,43)(H,38,41)(H,39,44)/t27-,28+/m1/s1","","2016-01-20","2016-08-24","(4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide","2016-08-31"],["RHZ","4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine","C12 H11 Cl N2 O","COc1cc(ccc1Cl)c2ccnc(N)c2;COc1cc(ccc1Cl)c2ccnc(c2)N","InChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15)","","2020-09-30","2021-05-21","4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine","2021-05-26"],["63R","N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide","C24 H29 N3 O3","C4N(C(=O)c1ccc(cc1)N2CCOCC2)CC(N(C(C)=O)c3ccccc3)CC4;CC(=O)N([CH]1CCCN(C1)C(=O)c2ccc(cc2)N3CCOCC3)c4ccccc4;CC(=O)N(c1ccccc1)C2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4","InChI=1S/C24H29N3O3/c1-19(28)27(22-6-3-2-4-7-22)23-8-5-13-26(18-23)24(29)20-9-11-21(12-10-20)25-14-16-30-17-15-25/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3/t23-/m1/s1","","2019-07-29","2024-09-27","N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide","2020-01-29"],["RI1","(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C18 H14 Cl N3 O3 S","Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21;Clc1ccc2c(c1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4ccccc34;c1ccc2c(c1)cncc2NC(=O)C3CNS(=O)(=O)c4c3cc(cc4)Cl","InChI=1S/C18H14ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h1-8,10,15,21H,9H2,(H,22,23)/t15-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["63T","[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","C5 H9 O7 P","O(CC1OC(CC1O)=O)P(O)(O)=O;O[CH]1CC(=O)O[CH]1CO[P](O)(O)=O;C1C(C(OC1=O)COP(=O)(O)O)O","InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1","","2016-01-21","2016-09-09","[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","2016-09-14"],["RI2","1,5-di-O-phosphono-alpha-D-ribofuranose","C5 H12 O11 P2","O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(O)=O;C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1","1,5-di-O-phosphono-alpha-D-ribose; 1,5-di-O-phosphono-D-ribose; 1,5-di-O-phosphono-ribose","2011-01-07","2020-07-17","1,5-di-O-phosphono-alpha-D-ribofuranose",""],["63U","(2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H19 N3 O4 S","O=C(C1=C(C)CSC(N1)C(C=O)NC(C(c2ccccc2)N)=O)O;CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C=O)C(O)=O;CC1=C(NC(SC1)C(C=O)NC(=O)C(c2ccccc2)N)C(=O)O","InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,11-12,15,19H,8,17H2,1H3,(H,18,21)(H,22,23)/t11-,12-,15+/m1/s1","","2016-01-21","2024-09-27","(2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2016-12-14"],["RI3","(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid","C18 H16 F2 N4 O2","O=C(O)C1(F)CN(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[C]1(F)CN(C[CH]1C2CC2)c3ncnc4[nH]c5cc(F)ccc5c34;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC(C(C4)(C(=O)O)F)C5CC5","InChI=1S/C18H16F2N4O2/c19-10-3-4-11-13(5-10)23-15-14(11)16(22-8-21-15)24-6-12(9-1-2-9)18(20,7-24)17(25)26/h3-5,8-9,12H,1-2,6-7H2,(H,25,26)(H,21,22,23)/t12-,18-/m0/s1","","2022-06-23","2022-07-01","(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid","2022-07-06"],["63V","(2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H14 N2 O4 S2","O=C(C1=NC(SCC/1=C)C(C=O)NC(=O)Cc2sccc2)O;OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2sccc2)C=O;C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2cccs2","InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13+/m1/s1","","2016-01-21","2024-09-27","(2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2016-12-14"],["RI4","(3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","C21 H23 N5 O","C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1;C1CCc2nc([CH]3CCCO3)c(c4[nH]nnn4)c(c2CC1)c5ccccc5;c1ccc(cc1)c2c3c(nc(c2c4[nH]nnn4)C5CCCO5)CCCCC3","InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m1/s1","","2023-05-09","2023-06-09","(3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","2023-06-14"],["63W","5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine","C14 H11 F3 N4 S2","c12sc(c(c1c(N)nc(n2)N)C)Sc3ccc(cc3)C(F)(F)F;Cc1c(Sc2ccc(cc2)C(F)(F)F)sc3nc(N)nc(N)c13;Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N","InChI=1S/C14H11F3N4S2/c1-6-9-10(18)20-13(19)21-11(9)23-12(6)22-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21)","","2016-01-21","2017-01-20","5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine","2017-01-25"],["RI5","(1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c\nyclopropa[a]azulene-4,8(3H)-dione","C15 H16 O6","O=C3OC4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C;CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)C[CH]4O[C]45C(=O)O[CH]2[C]35C;CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C","InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1","PICROTOXIN","2011-04-15","2020-06-17","(1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione",""],["63X","Mofezolac","C19 H17 N O5","c3(OC)ccc(c2c(CC(O)=O)onc2c1ccc(OC)cc1)cc3;COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3;COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O","InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)","[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid","2016-01-22","2021-03-13","[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid","2017-07-26"],["63Y","5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine","C13 H9 F3 N4 S2","c23sc(Sc1c(F)c(F)c(F)cc1)c(c2c(N)nc(n3)N)C;Cc1c(Sc2ccc(F)c(F)c2F)sc3nc(N)nc(N)c13;Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N","InChI=1S/C13H9F3N4S2/c1-4-7-10(17)19-13(18)20-11(7)22-12(4)21-6-3-2-5(14)8(15)9(6)16/h2-3H,1H3,(H4,17,18,19,20)","","2016-01-22","2017-01-20","5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine","2017-01-25"],["RI6","(4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H20 Cl2 N4 O2","Clc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC;CNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(Cl)ccc23)c4cc(Cl)ccc4C1;CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3ccc(c4)Cl)Cl","InChI=1S/C22H20Cl2N4O2/c1-25-21(29)12-28-10-13-2-3-16(24)7-18(13)19(11-28)22(30)27-20-9-26-8-14-6-15(23)4-5-17(14)20/h2-9,19H,10-12H2,1H3,(H,25,29)(H,27,30)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["63Z","[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol","C10 H7 Cl F3 N3 O","OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F;c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl","InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2","(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol","2021-07-23","2022-09-02","[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol","2022-09-07"],["RI7","methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate","C17 H17 F N4 O3","O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12;COC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23;COC(=O)CC1CN(CCO1)c2c3c4ccc(cc4[nH]c3ncn2)F","InChI=1S/C17H17FN4O3/c1-24-14(23)7-11-8-22(4-5-25-11)17-15-12-3-2-10(18)6-13(12)21-16(15)19-9-20-17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,19,20,21)/t11-/m0/s1","","2022-06-23","2022-07-01","methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate","2022-07-06"],["RI8","4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide","C16 H15 F2 N5 O3 S2","O=S(=O)(Nc1ccc(F)c(c1F)NC(=O)c2c3ncnc(c3sc2)N)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F","InChI=1S/C16H15F2N5O3S2/c1-2-5-28(25,26)23-10-4-3-9(17)13(11(10)18)22-16(24)8-6-27-14-12(8)20-7-21-15(14)19/h3-4,6-7,23H,2,5H2,1H3,(H,22,24)(H2,19,20,21)","","2012-04-10","2013-04-19","4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide","2013-04-24"],["640","(2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid","C21 H23 N3 O4","O=C(c1c(ccnc1)Cc2ccc(cc2)C(C)(C)C)NNC(=O)C=CC(=O)O;CC(C)(C)c1ccc(Cc2ccncc2C(=O)NNC(=O)C=CC(O)=O)cc1;CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)C=CC(=O)O","InChI=1S/C21H23N3O4/c1-21(2,3)16-6-4-14(5-7-16)12-15-10-11-22-13-17(15)20(28)24-23-18(25)8-9-19(26)27/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)/b9-8+","","2014-04-09","2014-10-03","(2E)-4-(2-{[4-(4-tert-butylbenzyl)pyridin-3-yl]carbonyl}hydrazinyl)-4-oxobut-2-enoic acid","2014-10-01"],["641","(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE","C17 H20 Cl2 N2 O2","Clc1cc(cc(Cl)c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3;Clc1cc(Cl)cc(NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2)c1;c1c(cc(cc1Cl)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3","InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1","","2006-06-14","2011-06-04","(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide",""],["RI9","N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide","C16 H20 F2 N6 O4 S","O=C(Nc1ncnc(c1)NCCO)Nc2c(F)ccc(NS(=O)(=O)CCC)c2F;CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O)Nc2cc(NCCO)ncn2)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F","InChI=1S/C16H20F2N6O4S/c1-2-7-29(27,28)24-11-4-3-10(17)15(14(11)18)23-16(26)22-13-8-12(19-5-6-25)20-9-21-13/h3-4,8-9,24-25H,2,5-7H2,1H3,(H3,19,20,21,22,23,26)","","2012-04-10","2013-04-19","N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide","2013-04-24"],["RIA","2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-5'-MONOPHOSPHATE","C15 H23 N5 O14 P2","O=P(O)(O)OCC4OC(n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O)(O)O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OC4C(C(C(O4)COP(=O)(O)O)O)O)N","InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","","1999-07-08","2011-06-04","2'-O-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)",""],["642","(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid","C29 H24 N2 O4","O=C5NC(c4ccc(OCc2c3ccccc3nc(c1ccccc1)c2)cc4)CC56C(C(=O)O)C6;OC(=O)[CH]1C[C]12C[CH](NC2=O)c3ccc(OCc4cc(nc5ccccc45)c6ccccc6)cc3;c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)C5CC6(CC6C(=O)O)C(=O)N5","InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26+,29-/m1/s1","","2008-10-27","2011-06-04","(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid",""],["RIB","alpha-D-ribofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1","alpha-D-ribose; D-ribose; ribose","1999-07-08","2024-09-27","alpha-D-ribofuranose",""],["643","6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox\nylic acid","C29 H25 Cl2 N3 O4","O=C(O)c2c1ccc(cc1n(c2)C)c5c(cc(OCc4c(onc4c3c(Cl)cncc3Cl)C(C)C)cc5)C;CC(C)c1onc(c1COc2ccc(c(C)c2)c3ccc4c(c3)n(C)cc4C(O)=O)c5c(Cl)cncc5Cl;Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl","InChI=1S/C29H25Cl2N3O4/c1-15(2)28-22(27(33-38-28)26-23(30)11-32-12-24(26)31)14-37-18-6-8-19(16(3)9-18)17-5-7-20-21(29(35)36)13-34(4)25(20)10-17/h5-13,15H,14H2,1-4H3,(H,35,36)","6-{4-[3-(3,5-Dichloro-pyridin-4-yl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-methyl-phenyl}-1-methyl-1H-indole-3-carboxylic\nacid","2009-01-23","2020-06-17","6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid",""],["RIC","PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER","C14 H19 N2 O7 P","O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O;Cc1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2cc1C;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1/f/h19-20H","","1999-09-17","2008-10-14","5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole",""],["644","2,6-bis[(2-carboxyphenyl)amino]benzoic acid","C21 H16 N2 O6","O=C(O)c1ccccc1Nc3cccc(Nc2c(C(=O)O)cccc2)c3C(=O)O;OC(=O)c1ccccc1Nc2cccc(Nc3ccccc3C(O)=O)c2C(O)=O;c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O","InChI=1S/C21H16N2O6/c24-19(25)12-6-1-3-8-14(12)22-16-10-5-11-17(18(16)21(28)29)23-15-9-4-2-7-13(15)20(26)27/h1-11,22-23H,(H,24,25)(H,26,27)(H,28,29)","","2013-08-12","2014-05-16","2,6-bis[(2-carboxyphenyl)amino]benzoic acid","2014-05-21"],["RID","(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid","C30 H37 F N2 O7 S","O=S(=O)(N1CCOCC1)c4c(c2ccccc2)c(c3ccc(F)cc3)n(c4C(C)C)CCC(O)CC(O)CC(=O)O;CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1[S](=O)(=O)N4CCOCC4;CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4","InChI=1S/C30H37FN2O7S/c1-20(2)28-30(41(38,39)32-14-16-40-17-15-32)27(21-6-4-3-5-7-21)29(22-8-10-23(31)11-9-22)33(28)13-12-24(34)18-25(35)19-26(36)37/h3-11,20,24-25,34-35H,12-19H2,1-2H3,(H,36,37)/t24-,25-/m1/s1","","2007-11-27","2011-06-04","(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid",""],["645","[1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE","C21 H19 Cl3 N2 O4 S","O=S(=O)(c1ccc(c(Cl)c1)C(=O)c3c(O)n(nc3c2c(Cl)cc(Cl)cc2)C(C)(C)C)C;CC(C)(C)n1nc(c2ccc(Cl)cc2Cl)c(c1O)C(=O)c3ccc(cc3Cl)[S](C)(=O)=O;CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O","InChI=1S/C21H19Cl3N2O4S/c1-21(2,3)26-20(28)17(18(25-26)13-7-5-11(22)9-15(13)23)19(27)14-8-6-12(10-16(14)24)31(4,29)30/h5-10,28H,1-4H3","","2004-07-22","2011-06-04","[1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1H-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone",""],["RIE","(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid","C29 H36 F N3 O5","O=C(O)CC(O)CC(O)CCc2c(c(nn2c1ccc(F)cc1)C(=O)N(C(c3ccccc3)C)C)C(C)C;CC(C)c1c(CC[CH](O)C[CH](O)CC(O)=O)n(nc1C(=O)N(C)[CH](C)c2ccccc2)c3ccc(F)cc3;CC(C)c1c(n(nc1C(=O)N(C)C(C)c2ccccc2)c3ccc(cc3)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C29H36FN3O5/c1-18(2)27-25(15-14-23(34)16-24(35)17-26(36)37)33(22-12-10-21(30)11-13-22)31-28(27)29(38)32(4)19(3)20-8-6-5-7-9-20/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,36,37)/t19-,23-,24-/m1/s1","","2007-11-28","2011-06-04","(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid",""],["646","2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide","C21 H24 Cl2 N6 O2 S","Clc3cc(c2ccnc(N1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C;Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4)c1C;Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl","InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3","","2009-09-03","2011-10-03","2,6-dichloro-4-[2-(piperazin-1-yl)pyridin-4-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide",""],["RIF","RIFAMYCIN CGP 4832","C49 H65 N3 O15","O=C(OCC(=O)OC5C(C)C(OC)C=COC2(OC=1C(=C(O)C3C(O)=C(C(=C(O)C3C=1C2=O)N4CCOCC4)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C5C)C)C)C)CC6=CN(C=CC6)C;CO[CH]1C=CO[C]2(C)OC3=C([CH]4[CH](C(=C3C)O)C(=C(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(=O)COC(=O)CC5=CN(C)C=CC5)[CH]1C)C)C(=C4O)N6CCOCC6)O)C2=O;CC1C=CC=C(C(=O)NC2=C(C3C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)C","InChI=1S/C49H65N3O15/c1-25-12-10-13-26(2)48(61)50-38-39(52-17-20-63-21-18-52)44(59)35-36(43(38)58)42(57)30(6)46-37(35)47(60)49(7,67-46)65-19-15-32(62-9)27(3)45(29(5)41(56)28(4)40(25)55)66-34(54)24-64-33(53)22-31-14-11-16-51(8)23-31/h10-13,15-16,19,23,25,27-29,32,35-36,40-41,45,55-59H,14,17-18,20-22,24H2,1-9H3,(H,50,61)/b12-10+,19-15+,26-13-/t25-,27+,28+,29+,32-,35?,36+,40-,41+,45+,49-/m0/s1","","2000-08-21","2011-06-04","2-oxo-2-{[(2S,5aR,9aR,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-morpholin-4-yl-1,11-dioxo-1,2,5a,9a-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl]oxy}ethyl (1-methyl-1,4-dihydropyridin-3-yl)acetate",""],["647","5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine","C21 H17 F3 N4","FC(F)(F)c1ccc(cc1)CNc2ncc(cc2)Cc4c3cccnc3nc4;FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1;c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F","InChI=1S/C21H17F3N4/c22-21(23,24)17-6-3-14(4-7-17)11-26-19-8-5-15(12-27-19)10-16-13-28-20-18(16)2-1-9-25-20/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)","","2012-11-12","2013-03-22","5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine","2013-03-27"],["648","1-[3-(thiophen-3-yl)benzyl]piperidin-2-one","C16 H17 N O S","C1CC(=O)N(CC1)Cc2cc(ccc2)c3ccsc3;O=C1CCCCN1Cc2cccc(c2)c3cscc3;c1cc(cc(c1)c2ccsc2)CN3CCCCC3=O","InChI=1S/C16H17NOS/c18-16-6-1-2-8-17(16)11-13-4-3-5-14(10-13)15-7-9-19-12-15/h3-5,7,9-10,12H,1-2,6,8,11H2","","2016-01-23","2023-02-03","1-[3-(thiophen-3-yl)benzyl]piperidin-2-one","2023-02-08"],["RIJ","2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","C24 H21 Cl N4 O3","CNC(=O)CN1Cc2ccc(Cl)cc2C2(CC(=O)N(C2=O)c2cncc3ccccc32)C1;CNC(=O)CN1Cc2ccc(Cl)cc2[C]3(C1)CC(=O)N(C3=O)c4cncc5ccccc45;CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl","InChI=1S/C24H21ClN4O3/c1-26-21(30)13-28-12-16-6-7-17(25)8-19(16)24(14-28)9-22(31)29(23(24)32)20-11-27-10-15-4-2-3-5-18(15)20/h2-8,10-11H,9,12-14H2,1H3,(H,26,30)/t24-/m1/s1","","2023-08-22","2023-11-03","2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","2023-11-08"],["649","5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine","C27 H38 N6 O8 S","C(CCCCCCCCOc1ccccc1)CC(NS(=O)(=O)OCC2OC(C(C2O)O)n3cnc4c3ncnc4N)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)CCCCCCCCCCOc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C27H38N6O8S/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(41-27)16-40-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-39-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1","","2016-01-24","2016-04-01","5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine","2016-04-06"],["RIK","3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid","C17 H17 F N4 O3","O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)CC[CH]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)CCC(=O)O","InChI=1S/C17H17FN4O3/c18-10-1-3-12-13(7-10)21-16-15(12)17(20-9-19-16)22-5-6-25-11(8-22)2-4-14(23)24/h1,3,7,9,11H,2,4-6,8H2,(H,23,24)(H,19,20,21)/t11-/m1/s1","","2022-06-23","2022-07-01","3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid","2022-07-06"],["RIL","[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE","C12 H23 O5 P","O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C;CC1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1;CC1(OCC(O1)COP(=O)(CCCCC=C)O)C","InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1","O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE; O-[(R)-IPG] 6-HEXENYL PHOSPHONATE","2003-10-16","2024-09-27","[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (S)-hex-5-en-1-ylphosphonate",""],["64A","{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}propanedioic acid","C13 H16 N2 O7","C1(=O)C(C)=CN(C(N1)=O)C2CCC(OC(C(=O)O)C(=O)O)C2;CC1=CN([CH]2CC[CH](C2)OC(C(O)=O)C(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCC(C2)OC(C(=O)O)C(=O)O","InChI=1S/C13H16N2O7/c1-6-5-15(13(21)14-10(6)16)7-2-3-8(4-7)22-9(11(17)18)12(19)20/h5,7-9H,2-4H2,1H3,(H,17,18)(H,19,20)(H,14,16,21)/t7-,8+/m1/s1","","2016-01-24","2016-02-05","{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}propanedioic acid","2016-02-10"],["RIM","RIMANTADINE","C12 H21 N","NC(C)C13CC2CC(CC(C1)C2)C3;C[CH](N)C12CC3CC(CC(C3)C1)C2;CC(C12CC3CC(C1)CC(C3)C2)N","InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1","1-(1-ADAMANTYL)ETHANAMINE","2007-07-19","2021-03-01","(1R)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanamine",""],["64B","methyl (2Z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate","C14 H11 F N2 O4 S","C(/C(C(=O)OC)=C1/SCC(N1c2c(cc(OC)cc2)F)=O)#N;COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(OC)cc2F;COc1ccc(c(c1)F)N2C(=O)CSC2=C(C#N)C(=O)OC","InChI=1S/C14H11FN2O4S/c1-20-8-3-4-11(10(15)5-8)17-12(18)7-22-13(17)9(6-16)14(19)21-2/h3-5H,7H2,1-2H3/b13-9-","","2016-01-25","2016-07-22","methyl (2Z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate","2016-07-27"],["RIN","3-AMINO-AZACYCLOTRIDECAN-2-ONE","C12 H24 N2 O","O=C1NCCCCCCCCCCC1N;N[CH]1CCCCCCCCCCNC1=O;C1CCCCCNC(=O)C(CCCC1)N","InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1","","1999-07-08","2011-06-04","(3S)-3-aminoazacyclotridecan-2-one",""],["64C","1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one","C12 H10 N2 O2","c21c(nnc1OC(c3c2cccc3)=O)CC;CCc1n[nH]c2OC(=O)c3ccccc3c12;CCc1c-2c([nH]n1)OC(=O)c3c2cccc3","InChI=1S/C12H10N2O2/c1-2-9-10-7-5-3-4-6-8(7)12(15)16-11(10)14-13-9/h3-6H,2H2,1H3,(H,13,14)","","2016-01-25","2016-10-07","1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one","2016-10-12"],["RIO","RIBOSTAMYCIN","C17 H34 N4 O10","O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CO;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH]3O)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N","InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1","5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY\n]-TETRAHYDRO-PYRAN-3,4-DIOL; (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl\n2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside","2002-07-08","2020-06-17","(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",""],["64D","4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid","C13 H17 Cl N2 O4 S","Clc1ccc(cc1)S(=O)(=O)NCC2CCN(C(=O)O)CC2;OC(=O)N1CCC(CC1)CN[S](=O)(=O)c2ccc(Cl)cc2;c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl","InChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(19,20)15-9-10-5-7-16(8-6-10)13(17)18/h1-4,10,15H,5-9H2,(H,17,18)","","2014-07-30","2024-09-27","4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid","2015-01-21"],["RIP","beta-D-ribopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1","beta-D-ribose; D-ribose; ribose; RIBOSE(PYRANOSE FORM)","1999-07-08","2024-09-27","beta-D-ribopyranose",""],["64E","1-propylisochromeno[3,4-c]pyrazol-5(3H)-one","C13 H12 N2 O2","c12c(nnc1OC(c3c2cccc3)=O)CCC;CCCc1n[nH]c2OC(=O)c3ccccc3c12;CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3","InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)","","2016-01-25","2016-10-07","1-propylisochromeno[3,4-c]pyrazol-5(3H)-one","2016-10-12"],["64F","1-butylisochromeno[3,4-c]pyrazol-5(3H)-one","C14 H14 N2 O2","c12c(nnc1OC(c3c2cccc3)=O)CCCC;CCCCc1n[nH]c2OC(=O)c3ccccc3c12;CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3","InChI=1S/C14H14N2O2/c1-2-3-8-11-12-9-6-4-5-7-10(9)14(17)18-13(12)16-15-11/h4-7H,2-3,8H2,1H3,(H,15,16)","","2016-01-25","2016-10-07","1-butylisochromeno[3,4-c]pyrazol-5(3H)-one","2016-10-12"],["RIQ","1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone","C10 H9 Cl2 N O","CC(=O)N1CCc2c(Cl)c(Cl)ccc12;CC(=O)N1CCc2c1ccc(c2Cl)Cl","InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3","","2022-11-30","2022-12-09","1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone","2022-12-14"],["RIR","[(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(III)","C10 H15 Ir","[Ir]1234C5(=C1(C2(C3(=C45C)C)C)C)C;CC1=C(C)C(C)([Ir])C(=C1C)C;CC12=C3([Ir]145C2(=C4(C53C)C)C)C","InChI=1S/C10H15.Ir/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;","","2015-10-05","2016-04-15","[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]iridium","2016-04-20"],["64I","2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol","C12 H2 F8 O2","Fc1c(c(F)c(F)c(O)c1F)c2c(F)c(F)c(O)c(F)c2F;Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F;c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F","InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H","","2013-01-04","2014-02-14","2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol","2014-02-19"],["64J","5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine","C14 H11 F3 N4 O S2","c13nc(nc(c1c(c(Sc2ccc(OC(F)(F)F)cc2)s3)C)N)N;Cc1c(Sc2ccc(OC(F)(F)F)cc2)sc3nc(N)nc(N)c13;Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N","InChI=1S/C14H11F3N4OS2/c1-6-9-10(18)20-13(19)21-11(9)24-12(6)23-8-4-2-7(3-5-8)22-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21)","","2016-01-25","2017-01-20","5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine","2017-01-25"],["RIS","1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID","C7 H11 N O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1;OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O;c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)","Risedronate","2003-12-17","2020-06-17","(1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)",""],["RIT","RITONAVIR","C37 H48 N6 O5 S2","O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4;CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)OCc3scnc3)Cc4ccccc4;CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OCc4cncs4)O","InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1","A-84538","1999-07-08","2021-03-01","N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide",""],["64K","alpha-D-arabinopyranose","C5 H10 O5","OC1C(OCC(C1O)O)O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1","alpha-D-arabinose; D-arabinose; arabinose","2016-01-25","2020-07-17","alpha-D-arabinopyranose","2016-03-02"],["RIU","2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide","C21 H22 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C;CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CN(C)CCOc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide","2023-11-08"],["64L","KB2115","C18 H17 Br2 N O5","C(=O)(O)CC(=O)Nc1cc(Br)c(c(c1)Br)Oc2ccc(c(c2)C(C)C)O;CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(O)=O)cc2Br)ccc1O;CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br","InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)","3-({3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}amino)-3-oxopropanoic acid","2016-01-25","2021-03-13","3-({3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}amino)-3-oxopropanoic acid","2016-05-18"],["RIV","5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide","C19 H18 Cl N3 O5 S","O=C(NCC3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(Cl)cc4;Clc1sc(cc1)C(=O)NC[CH]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O;c1cc(ccc1N2CCOCC2=O)N3CC(OC3=O)CNC(=O)c4ccc(s4)Cl","InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1","Rivaroxaban","2008-10-24","2021-03-01","5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide",""],["64M","5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine","C22 H19 F3 N4 O","FC(F)(F)c1ccc(cc1)CNc2ncc(cc2)Cc4c3cc(OC)cnc3nc4;COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(cc4)C(F)(F)F)nc3)c2c1;COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F","InChI=1S/C22H19F3N4O/c1-30-18-9-19-16(12-28-21(19)29-13-18)8-15-4-7-20(27-11-15)26-10-14-2-5-17(6-3-14)22(23,24)25/h2-7,9,11-13H,8,10H2,1H3,(H,26,27)(H,28,29)","","2012-11-12","2013-03-22","5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine","2013-03-27"],["64N","5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide","C22 H18 Cl2 N2 O4","c3c(ccc(c1cc(ccc1O)Oc2c(cc(NC(=O)CC)cc2Cl)Cl)c3)C(N)=O;CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)c3ccc(cc3)C(N)=O)c(Cl)c1;CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl","InChI=1S/C22H18Cl2N2O4/c1-2-20(28)26-14-9-17(23)21(18(24)10-14)30-15-7-8-19(27)16(11-15)12-3-5-13(6-4-12)22(25)29/h3-11,27H,2H2,1H3,(H2,25,29)(H,26,28)","","2016-01-25","2016-05-13","5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide","2016-05-18"],["RIW","1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one","C14 H12 F N5 O","Fc1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O;Fc1ccc2c([nH]c3ncnc(NN4CCCC4=O)c23)c1;c1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCC4=O","InChI=1S/C14H12FN5O/c15-8-3-4-9-10(6-8)18-13-12(9)14(17-7-16-13)19-20-5-1-2-11(20)21/h3-4,6-7H,1-2,5H2,(H2,16,17,18,19)","","2022-06-23","2022-07-01","1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one","2022-07-06"],["RIX","methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate","C11 H8 Cl N O3","COC(=O)C(=O)n1ccc2c(Cl)cccc12;COC(=O)C(=O)n1ccc2c1cccc2Cl","InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3","","2022-11-30","2022-12-09","methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate","2022-12-14"],["64O","N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide","C22 H19 Cl2 N3 O4","O=C(N)Nc3ccc(c2cc(Oc1c(cc(NC(=O)CC)cc1Cl)Cl)ccc2O)cc3;CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)c3ccc(NC(N)=O)cc3)c(Cl)c1;CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl","InChI=1S/C22H19Cl2N3O4/c1-2-20(29)26-14-9-17(23)21(18(24)10-14)31-15-7-8-19(28)16(11-15)12-3-5-13(6-4-12)27-22(25)30/h3-11,28H,2H2,1H3,(H,26,29)(H3,25,27,30)","","2016-01-25","2016-05-13","N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide","2016-05-18"],["RIY","(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C21 H21 Cl N4 O3 S","CCNS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CCN[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1;CCNS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl","InChI=1S/C21H21ClN4O3S/c1-2-24-30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)25-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19,24H,2,12-13H2,1H3,(H,25,27)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["64P","5-aminothymidine 5'-(dihydrogen phosphate)","C10 H18 N3 O8 P","O=C1N(CC(C(=O)N1)(N)C)C2OC(C(O)C2)COP(=O)(O)O;C[C]1(N)CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)N","InChI=1S/C10H18N3O8P/c1-10(11)4-13(9(16)12-8(10)15)7-2-5(14)6(21-7)3-20-22(17,18)19/h5-7,14H,2-4,11H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1","","2009-03-04","2019-07-24","5-aminothymidine 5'-(dihydrogen phosphate)",""],["RIZ","(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid","C17 H17 F N4 O2","O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[CH]1CCCC[CH]1Nc2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCCCC4C(=O)O","InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m1/s1","","2022-06-23","2022-07-01","(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid","2022-07-06"],["64Q","7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine","C13 H13 N5","c3c(c(Nc1cc(C)nc2n1cnn2)ccc3)C;Cc1cc(Nc2ccccc2C)n3cnnc3n1;Cc1ccccc1Nc2cc(nc3n2cnn3)C","InChI=1S/C13H13N5/c1-9-5-3-4-6-11(9)16-12-7-10(2)15-13-17-14-8-18(12)13/h3-8,16H,1-2H3","","2016-01-26","2017-01-20","7-methyl-N-(2-methylphenyl)[1,2,4]triazolo[4,3-a]pyrimidin-5-amine","2017-01-25"],["64R","(2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one","C10 H11 N O2","c1c(C)ccc2c1NC(C(O2)C)=O;C[CH]1Oc2ccc(C)cc2NC1=O;Cc1ccc2c(c1)NC(=O)C(O2)C","InChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)11-10(12)7(2)13-9/h3-5,7H,1-2H3,(H,11,12)/t7-/m1/s1","","2016-01-26","2017-01-20","(2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one","2017-01-25"],["RJ0","1-(2,3-dihydroindol-1-yl)prop-2-en-1-one","C11 H11 N O","C=CC(=O)N1CCc2ccccc12;C=CC(=O)N1CCc2c1cccc2","InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2","","2022-11-30","2022-12-09","1-(2,3-dihydroindol-1-yl)prop-2-en-1-one","2022-12-14"],["RJ1","N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide","C9 H9 Cl F3 N5","Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)(F)F;NC(=N)NC(=N)Nc1cc(ccc1Cl)C(F)(F)F;[H]N=C(N)NC(=N[H])Nc1cc(ccc1Cl)C(F)(F)F","InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18)","2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene","2008-06-17","2021-03-01","N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide",""],["64S","N-ethyl-6,7-dimethoxyquinazolin-4-amine","C12 H15 N3 O2","c2(cc1c(c(NCC)ncn1)cc2OC)OC;CCNc1ncnc2cc(OC)c(OC)cc12;CCNc1c2cc(c(cc2ncn1)OC)OC","InChI=1S/C12H15N3O2/c1-4-13-12-8-5-10(16-2)11(17-3)6-9(8)14-7-15-12/h5-7H,4H2,1-3H3,(H,13,14,15)","","2016-01-26","2017-01-20","N-ethyl-6,7-dimethoxyquinazolin-4-amine","2017-01-25"],["RJ2","1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine","C17 H17 N3 O","C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3;c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4","InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2","","2020-09-30","2021-05-21","1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine","2021-05-26"],["64T","5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE","C10 H17 N2 O9 P","O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O;C[C]1(O)CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H17N2O9P/c1-10(16)4-12(9(15)11-8(10)14)7-2-5(13)6(21-7)3-20-22(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1","","2001-11-27","2011-06-04","5-hydroxythymidine 5'-(dihydrogen phosphate)",""],["RJ3","4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid","C18 H13 Cl N2 O3","Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)O;OC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)C(=O)O","InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-8-12(18(23)24)4-5-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid","2023-11-08"],["64U","3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide","C21 H30 Cl N3 O2","O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)CC2CCCCC2)CCC3;N[CH](CC1CCCCC1)C(=O)N2CCC[CH]2C(=O)NCc3cccc(Cl)c3;c1cc(cc(c1)Cl)CNC(=O)C2CCCN2C(=O)C(CC3CCCCC3)N","InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1","(2S)-1-((2R)-2-amino-3-cyclohexyl-propanoyl)-N-((3-chlorophenyl)methyl)pyrrolidine-2-carboxamide","2008-07-23","2021-03-01","3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide",""],["RJ4","(4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde","C11 H13 N3 O2","O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34;c1[nH]c2c(n1)C3CC4CN(CC4(C2)O3)C=O","InChI=1S/C11H13N3O2/c15-6-14-3-7-1-9-10-8(12-5-13-10)2-11(7,4-14)16-9/h5-7,9H,1-4H2,(H,12,13)/t7-,9-,11+/m1/s1","","2020-02-12","2020-04-03","","2020-04-08"],["64V","2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid","C26 H28 F N7 O3","CN1CCC(CC1)N(CC(O)=O)c2ccc3cnc(Nc4ccc(cc4F)n5ccc(CO)n5)cc3n2;CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO","InChI=1S/C26H28FN7O3/c1-32-9-7-19(8-10-32)33(15-26(36)37)25-5-2-17-14-28-24(13-23(17)30-25)29-22-4-3-20(12-21(22)27)34-11-6-18(16-35)31-34/h2-6,11-14,19,35H,7-10,15-16H2,1H3,(H,28,29)(H,36,37)","","2021-09-09","2022-03-04","2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid","2022-03-09"],["64W","4-[(methylcarbamoyl)amino]benzene-1-sulfonamide","C8 H11 N3 O3 S","O=S(N)(=O)c1ccc(NC(=O)NC)cc1;CNC(=O)Nc1ccc(cc1)[S](N)(=O)=O;CNC(=O)Nc1ccc(cc1)S(=O)(=O)N","InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12)","","2021-08-02","2022-06-03","4-[(methylcarbamoyl)amino]benzene-1-sulfonamide","2022-06-08"],["RJ5","4-(4-methoxyphenyl)pyridin-2-amine","C12 H12 N2 O","COc1ccc(cc1)c2ccnc(N)c2;COc1ccc(cc1)c2ccnc(c2)N","InChI=1S/C12H12N2O/c1-15-11-4-2-9(3-5-11)10-6-7-14-12(13)8-10/h2-8H,1H3,(H2,13,14)","","2020-09-30","2021-05-21","4-(4-methoxyphenyl)pyridin-2-amine","2021-05-26"],["64X","5-bromo-L-tryptophan","C11 H11 Br N2 O2","N[CH](Cc1c[nH]c2ccc(Br)cc12)C(O)=O;c1cc2c(cc1Br)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1","","2023-01-12","2023-06-09","(2~{S})-2-azanyl-3-(5-bromanyl-1~{H}-indol-3-yl)propanoic acid","2023-06-14"],["RJ6","N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide","C10 H15 N5 O2","O(c1cc(cc(OC)c1)NC(=[N@H])NC(=[N@H])N)C;COc1cc(NC(=N)NC(N)=N)cc(OC)c1;[H]N=C(N)NC(=N[H])Nc1cc(cc(c1)OC)OC","InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)","{[(3,5-dimethoxyanilino)(imino)methyl]amino}methanimidamide","2008-06-17","2020-06-17","N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide",""],["RJ7","ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate","C10 H12 F N O3","c1(cnccc1)C(C(C(OCC)=O)F)O;CCOC(=O)[CH](F)[CH](O)c1cccnc1;CCOC(=O)C(C(c1cccnc1)O)F","InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9-/m0/s1","","2020-02-12","2020-04-03","ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate","2020-04-08"],["64Z","Geraniol","C10 H18 O","C(=C/CCC(=CCO)C)(C)C;CC(C)=CCCC(C)=CCO;CC(=CCCC(=CCO)C)C","InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+","","2016-01-26","2016-04-22","(2E)-3,7-dimethylocta-2,6-dien-1-ol","2016-04-27"],["650","Beta-Myrcene","C10 H18","C(=[C@H]CCC(=[C@H]C)C)(C)C;CC=C(C)CCC=C(C)C;CC=C(C)CCC=C(C)C","InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/b10-5+","","2016-01-26","2016-04-22","(6E)-2,6-dimethylocta-2,6-diene","2016-04-27"],["RJ8","4-(1-benzofuran-5-yl)pyridin-2-amine","C13 H10 N2 O","Nc1cc(ccn1)c2ccc3occc3c2;c1cc2c(cco2)cc1c3ccnc(c3)N","InChI=1S/C13H10N2O/c14-13-8-10(3-5-15-13)9-1-2-12-11(7-9)4-6-16-12/h1-8H,(H2,14,15)","","2020-09-30","2021-05-21","4-(1-benzofuran-5-yl)pyridin-2-amine","2021-05-26"],["RJ9","(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid","C17 H17 F N4 O2","O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12;OC(=O)[CH]1CCCC[CH]1Nc2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCCCC4C(=O)O","InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m0/s1","","2022-06-23","2022-07-01","(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid","2022-07-06"],["651","(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol","C19 H21 N O","O[C]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)C3(CN4CCC3CC4)O","InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2/t19-/m0/s1","","2010-01-29","2011-06-04","(3R)-3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol",""],["RJA","Ratjadone A, bound form","C28 H44 O6","O=C(O)CCCC(O)/C=C/C(=CC(C)CC(=CC=CC(O)C1OC(/C=C/C)C(C(O)C1)C)C)C;CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](O)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)CCCC(O)=O;CC=CC1C(C(CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CCCC(=O)O)O)O)O)C","InChI=1S/C28H44O6/c1-6-9-26-22(5)25(31)18-27(34-26)24(30)12-7-10-19(2)16-21(4)17-20(3)14-15-23(29)11-8-13-28(32)33/h6-7,9-10,12,14-15,17,21-27,29-31H,8,11,13,16,18H2,1-5H3,(H,32,33)/b9-6+,12-7+,15-14+,19-10+,20-17-/t21-,22+,23-,24-,25-,26+,27-/m1/s1","","2012-10-11","2024-09-27","(1S,5R)-1,5-anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethylpentadeca-2,4,8,10-tetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol","2013-01-04"],["652","2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol","C28 H29 Cl N2 O3 S","O=S(=O)(c4cccc(c1ccc(cc1)n2cc(nc2C(c3ccccc3Cl)(C)C)C(O)(C)C)c4)C;CC(C)(O)c1cn(c2ccc(cc2)c3cccc(c3)[S](C)(=O)=O)c(n1)C(C)(C)c4ccccc4Cl;CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O","InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3","","2014-12-02","2014-12-26","2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol","2014-12-31"],["RJB","2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid","C20 H18 N2 O3 S","OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4n3;c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3","InChI=1S/C20H18N2O3S/c23-18(24)11-20(9-13-5-1-2-6-14(13)10-20)19(25)21-12-17-22-15-7-3-4-8-16(15)26-17/h1-8H,9-12H2,(H,21,25)(H,23,24)","","2020-09-30","2021-02-05","2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid","2021-02-10"],["653","5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE","C22 H22 N5 O","[O-]c4c(c1ccccc1)cc(cc4c3nc2cc(ccc2n3)C(=[NH2+])N)CC[NH3+];NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(CC[NH3+])cc(c3[O-])c4ccccc4;c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+]","InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)/p+1","CRA_23653","2003-03-14","2020-06-17","3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-(2-ammonioethyl)biphenyl-2-olate",""],["654","4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE","C15 H14 N2 S","n1cn(cc1c2sccc2)Cc3ccc(cc3)C;Cc1ccc(Cn2cnc(c2)c3sccc3)cc1;Cc1ccc(cc1)Cn2cc(nc2)c3cccs3","InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3","","2001-02-14","2011-06-04","1-(4-methylbenzyl)-4-thiophen-2-yl-1H-imidazole",""],["RJC","1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea","C32 H49 F N2 O5 S","CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCNC(=O)N[S](=O)(=O)c4ccccc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15;CCC1C2C(C(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCNC(=O)NS(=O)(=O)c5ccccc5)C)C)O)F","InChI=1S/C32H49FN2O5S/c1-5-21-27-28(33)25(36)14-17-32(27,4)24-13-16-31(3)22(11-12-23(31)26(24)29(21)37)19(2)15-18-34-30(38)35-41(39,40)20-9-7-6-8-10-20/h6-10,19,21-29,36-37H,5,11-18H2,1-4H3,(H2,34,35,38)/t19-,21-,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-/m1/s1","","2022-11-30","2025-09-05","1-[(3~{R})-3-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea","2025-09-10"],["RJD","(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide","C15 H26 N4 O2","C1(CC1)NC(C3(CN(C(NCC2CC2)=O)C(C)CN3)C)=O;C[CH]1CN[C](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3;CC1CNC(CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3","InChI=1S/C15H26N4O2/c1-10-7-17-15(2,13(20)18-12-5-6-12)9-19(10)14(21)16-8-11-3-4-11/h10-12,17H,3-9H2,1-2H3,(H,16,21)(H,18,20)/t10-,15-/m0/s1","","2020-02-12","2020-04-03","(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide","2020-04-08"],["655","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE","C19 H20 N4 O2","[O-]c4c(OC1CCCC1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cccc(OC4CCCC4)c3[O-];c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N","InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)","CRA_10655","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)phenolate",""],["RJE","2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one","C16 H19 N5 O3","CNc1nc(OCCOC)nc2N(Cc3ccccc3)C(=O)Nc12;CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3","InChI=1S/C16H19N5O3/c1-17-13-12-14(20-15(19-13)24-9-8-23-2)21(16(22)18-12)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,22)(H,17,19,20)","","2015-09-08","2016-02-26","2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one","2016-03-02"],["656","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE","C18 H20 N4 O2","[O-]c3c(OCC(C)C)cccc3c2nc1cc(ccc1n2)C(=[NH2+])N;CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(N)=[NH2+];CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N","InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)","CRA_10656","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate",""],["657","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","C8 H5 F3 N2 O S","c12cc(OC(F)(F)F)ccc1nc(N)s2;Nc1sc2cc(OC(F)(F)F)ccc2n1;c1cc2c(cc1OC(F)(F)F)sc(n2)N","InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)","Riluzole","2016-01-26","2020-06-17","6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","2018-03-07"],["RJF","(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H21 Cl N4 O3","Cc1cccc2cncc(NC(=O)C3CN(CC(=O)NC)C(=O)c4ccc(Cl)cc43)c12;CNC(=O)CN1C[CH](C(=O)Nc2cncc3cccc(C)c23)c4cc(Cl)ccc4C1=O;Cc1cccc2c1c(cnc2)NC(=O)C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC","InChI=1S/C23H21ClN4O3/c1-13-4-3-5-14-9-26-10-19(21(13)14)27-22(30)18-11-28(12-20(29)25-2)23(31)16-7-6-15(24)8-17(16)18/h3-10,18H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t18-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["658","N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine","C15 H14 Cl N5","n2ccc(Nc1ccc(Cl)cc1)nc2n3c(cc(n3)C)C;Cc1cc(C)n(n1)c2nccc(Nc3ccc(Cl)cc3)n2;Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C","InChI=1S/C15H14ClN5/c1-10-9-11(2)21(20-10)15-17-8-7-14(19-15)18-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H,17,18,19)","","2016-01-26","2018-03-02","N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine","2018-03-07"],["RJG","(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one","C16 H18 N2 O","N13C5CC2CNCC12C(CC5c4c(C3)cccc4)=O;O=C1C[CH]2[CH]3C[CH]4CNC[C]14[N]3Cc5ccccc25;c1ccc2c(c1)CN3C4C2CC(=O)C35CNCC5C4","InChI=1S/C16H18N2O/c19-15-6-13-12-4-2-1-3-10(12)8-18-14(13)5-11-7-17-9-16(11,15)18/h1-4,11,13-14,17H,5-9H2/t11-,13-,14-,16+/m1/s1","","2020-02-12","2020-04-03","(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one","2020-04-08"],["RJH","1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea","C21 H25 Cl N6 O4","COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4;Cc1cc2ncc(c(n2n1)N3CCOCC3COC)NC(=O)Nc4ccc(c(c4)Cl)OC","InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1","","2020-09-30","2020-12-04","1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea","2020-12-09"],["659","N-[(E)-3-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide","C26 H24 F2 N6 O5","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NC)C(O)C5F;CNc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](F)[CH]3O;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O","InChI=1S/C26H24F2N6O5/c1-29-23-20-24(32-11-31-23)34(12-33-20)26-22(37)19(28)18(39-26)3-2-8-30-25(38)16-9-14(10-17(35)21(16)36)13-4-6-15(27)7-5-13/h2-7,9-12,18-19,22,26,35-37H,8H2,1H3,(H,30,38)(H,29,31,32)/b3-2+/t18-,19+,22-,26-/m1/s1","","2010-07-23","2011-07-29","N-methyl-9-[(5E)-3,5,6,7-tetradeoxy-3-fluoro-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-xylo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["RJI","2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE","C11 H9 N3 O4","NC(=O)[CH]1C(=O)NC(=O)N(C1=O)c2ccccc2;c1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C(=O)N","InChI=1S/C11H9N3O4/c12-8(15)7-9(16)13-11(18)14(10(7)17)6-4-2-1-3-5-6/h1-5,7H,(H2,12,15)(H,13,16,18)/t7-/m0/s1","","2015-09-07","2016-04-08","(5S)-2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinane-5-carboxamide","2016-04-13"],["65A","4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","C20 H21 N3 O2","c3(C)c2c(c1ccccc1OC)c4C(=O)CC(C)(Cc4nc2nn3)C;COc1ccccc1c2c3C(=O)CC(C)(C)Cc3nc4[nH]nc(C)c24;Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC","InChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23)","BRD3937","2016-01-26","2020-06-17","4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","2016-05-25"],["RJJ","(5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide","C16 H25 N3 O","c1cc(ccc1)CNC(C2(CC)CCN(C)CCN2)=O;CC[C]1(CCN(C)CCN1)C(=O)NCc2ccccc2;CCC1(CCN(CCN1)C)C(=O)NCc2ccccc2","InChI=1S/C16H25N3O/c1-3-16(9-11-19(2)12-10-18-16)15(20)17-13-14-7-5-4-6-8-14/h4-8,18H,3,9-13H2,1-2H3,(H,17,20)/t16-/m1/s1","","2020-02-12","2020-04-03","(5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide","2020-04-08"],["65B","4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE","C20 H15 Br N6 O","N#Cc3cc(c(Oc1nc(nc(c1Br)N)Nc2ccc(C#N)cc2)c(c3)C)C;Cc1cc(cc(C)c1Oc2nc(Nc3ccc(cc3)C#N)nc(N)c2Br)C#N;Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N","InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)","Etravine; Etravirine","2004-04-15","2020-06-17","4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile",""],["RJK","1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea","C20 H19 Br Cl N5 O2","NCc1cnn(c1)c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl;c1cc(c(cc1NC(=O)NC2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN","InChI=1S/C20H19BrClN5O2/c21-14-1-4-19-13(5-14)6-16(11-29-19)26-20(28)25-15-2-3-18(17(22)7-15)27-10-12(8-23)9-24-27/h1-5,7,9-10,16H,6,8,11,23H2,(H2,25,26,28)/t16-/m1/s1","","2020-09-30","2020-12-04","1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea","2020-12-09"],["65C","CHIR99021","C22 H18 Cl2 N8","c4nc(c2c(c1ccc(Cl)cc1Cl)nc(nc2)NCCNc3ccc(cn3)C#N)nc4C;Cc1c[nH]c(n1)c2cnc(NCCNc3ccc(cn3)C#N)nc2c4ccc(Cl)cc4Cl;Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N","InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)","6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile","2016-01-26","2021-03-13","6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile","2016-05-25"],["RJL","3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide","C15 H16 N4 O4","Oc1cccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1;COc1cncc(c1)C(=O)NCCNC(=O)c2ncccc2O;COc1cc(cnc1)C(=O)NCCNC(=O)c2c(cccn2)O","InChI=1S/C15H16N4O4/c1-23-11-7-10(8-16-9-11)14(21)18-5-6-19-15(22)13-12(20)3-2-4-17-13/h2-4,7-9,20H,5-6H2,1H3,(H,18,21)(H,19,22)","","2022-06-23","2022-07-01","3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide","2022-07-06"],["65D","octyl 3,4,5-trihydroxybenzoate","C15 H22 O5","Oc1c(O)cc(C(OCCCCCCCC)=O)cc1O;CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1;CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3","Octyl gallate","2016-01-27","2021-03-01","octyl 3,4,5-trihydroxybenzoate","2017-01-25"],["65H","6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C15 H17 N5 O S","c12nc(nc(c1c(C)c(n2C)Sc3ccc(OC)cc3)N)N;COc1ccc(Sc2n(C)c3nc(N)nc(N)c3c2C)cc1;Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N","InChI=1S/C15H17N5OS/c1-8-11-12(16)18-15(17)19-13(11)20(2)14(8)22-10-6-4-9(21-3)5-7-10/h4-7H,1-3H3,(H4,16,17,18,19)","","2016-01-27","2017-01-26","6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2017-02-01"],["RJM","(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid","C19 H19 N O3","O=C(Nc1ccccc1c1ccccc1)C1C(C(O)=O)C1(C)C;CC1(C)[CH]([CH]1C(=O)Nc2ccccc2c3ccccc3)C(O)=O;CC1(C(C1C(=O)O)C(=O)Nc2ccccc2c3ccccc3)C","InChI=1S/C19H19NO3/c1-19(2)15(16(19)18(22)23)17(21)20-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1","","2023-05-09","2023-06-09","(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid","2023-06-14"],["RJN","BENZYL N-{[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]METHYL}CARBAMATE","C23 H19 N3 O3","O=C(NCc1ccc(cc1)C2=Nc3ccccc3C(=O)N2)OCc4ccccc4;c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3","InChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)","","2015-03-27","2016-04-08","(phenylmethyl) N-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]carbamate","2016-04-13"],["65I","(9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate","C22 H44 N O8 P","NCCOP(OCC(COC(=O)CCCCC)OC(=O)CCCCCCCCCC)(O)=O;CCCCCCCCCCC(=O)O[CH](COC(=O)CCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCC(=O)OC(COC(=O)CCCCC)COP(=O)(O)OCCN","InChI=1S/C22H44NO8P/c1-3-5-7-8-9-10-11-13-15-22(25)31-20(18-28-21(24)14-12-6-4-2)19-30-32(26,27)29-17-16-23/h20H,3-19,23H2,1-2H3,(H,26,27)/t20-/m1/s1","","2020-12-18","2021-09-17","(9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate","2021-09-22"],["65J","7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C16 H19 N5 O S","c12n(CC)c(c(c1c(N)nc(n2)N)C)Sc3cc(ccc3)OC;CCn1c(Sc2cccc(OC)c2)c(C)c3c(N)nc(N)nc13;CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N","InChI=1S/C16H19N5OS/c1-4-21-14-12(13(17)19-16(18)20-14)9(2)15(21)23-11-7-5-6-10(8-11)22-3/h5-8H,4H2,1-3H3,(H4,17,18,19,20)","","2016-01-27","2017-01-26","7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2017-02-01"],["RJO","(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H18 Cl F N4 O3","Fc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21;CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(F)cc23)c4cc(Cl)ccc4C1=O;CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)F","InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-6-13(23)3-5-15(17)22(28)31)21(30)27-19-9-26-8-12-2-4-14(24)7-16(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["RJP","(1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid","C16 H17 N O6","O=C(O)C1(O)C=C(C(=O)C(O)C1)CCC(=O)Nc2ccccc2;O[CH]1C[C](O)(C=C(CCC(=O)Nc2ccccc2)C1=O)C(O)=O;c1ccc(cc1)NC(=O)CCC2=CC(CC(C2=O)O)(C(=O)O)O","InChI=1S/C16H17NO6/c18-12-9-16(23,15(21)22)8-10(14(12)20)6-7-13(19)17-11-4-2-1-3-5-11/h1-5,8,12,18,23H,6-7,9H2,(H,17,19)(H,21,22)/t12-,16+/m1/s1","","2010-06-03","2011-06-04","(1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid",""],["65K","4-carbamimidoylbenzoic acid","C8 H8 N2 O2","C(c1ccc(/C(N)=N)cc1)(=O)O;NC(=N)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=N)N)C(=O)O","InChI=1S/C8H8N2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)","","2016-01-27","2016-01-29","4-carbamimidoylbenzoic acid","2016-02-03"],["RJQ","(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide","C35 H41 Cl N6 O6","CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(N)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)N)C=C6","InChI=1S/C35H41ClN6O6/c1-20(43)38-26(19-22-5-2-3-6-25(22)36)31(45)40-17-4-15-35(40)16-13-24-10-12-28(42(24)34(35)48)32(46)39-18-14-21-7-8-23-9-11-27(30(37)44)41(23)33(47)29(21)39/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H2,37,44)(H,38,43)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1","","2020-09-30","2020-11-20","(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide","2020-11-25"],["65L","[1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol","C23 H23 F N6 O2","OCc1ccn(n1)c2ccc(Nc3cc4nc(OC5CCNCC5)ccc4cn3)c(F)c2;c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3","InChI=1S/C23H23FN6O2/c24-19-11-17(30-10-7-16(14-31)29-30)2-3-20(19)27-22-12-21-15(13-26-22)1-4-23(28-21)32-18-5-8-25-9-6-18/h1-4,7,10-13,18,25,31H,5-6,8-9,14H2,(H,26,27)","","2021-09-09","2022-03-04","[1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol","2022-03-09"],["65M","3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide","C15 H17 N3 O3 S","O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1;CN(Cc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O;CN(Cc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N","InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)","","2021-08-02","2022-06-03","3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide","2022-06-08"],["RJR","(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol","C23 H37 N3 O5","O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O;c1c(nnn1CC2C(CC(C(C2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4","InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1","","2018-12-11","2024-09-27","(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol","2019-03-27"],["65N","N~6~-methyl-N~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine","C15 H13 F3 N6 O","c13nc(nc(c1nc(N(c2ccc(OC(F)(F)F)cc2)C)cc3)N)N;CN(c1ccc(OC(F)(F)F)cc1)c2ccc3nc(N)nc(N)c3n2;CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N","InChI=1S/C15H13F3N6O/c1-24(8-2-4-9(5-3-8)25-15(16,17)18)11-7-6-10-12(22-11)13(19)23-14(20)21-10/h2-7H,1H3,(H4,19,20,21,23)","","2016-01-28","2017-01-26","N~6~-methyl-N~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine","2017-02-01"],["RJS","(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide","C15 H11 Br F N3 O3 S","Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12;Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br;c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br","InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21)","","2022-06-23","2022-07-01","(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide","2022-07-06"],["RJU","Mn-Mo(6)-N(2)-O(24)-C(8) cluster","C8 H16 Mn Mo6 N2 O24","NC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%13([O-])([O-])O[Mo]%14%15([O-])([O-])O[Mo]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%10)[O++]5%16CC(N)(C[O++]6%11%12)C[O++]7%13%14)[O++]8%15C2;C1C2(C[O+2]34[Mn]5678[O+2]19[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41([O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]44([O+2]8(C2)[Mo]3(O4)(O1)([O-])[O-])([O-])[O-])([O-])[O-])N)([O-])[O-])([O-])[O-])([O-])[O-])N","InChI=1S/2C4H8NO3.Mn.6Mo.18O/c2*5-4(1-6,2-7)3-8;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-3,5H2;;;;;;;;;;;;;;;;;;;;;;;;;/q2*+6;;;;;;;;;;;;;;12*-1","amine-functionalised Anderson-Evans polyoxometalate","2022-11-30","2023-03-03","1,1,3,3,15,15,17,17,19,19,21,21-dodecakis(oxidanylidene)-2,4$l^{4},8$l^{4},10$l^{4},14$l^{4},16,18,20,22,23$l^{4},25$l^{4},27-dodecaoxa-9$l^{6}-mangana-1$l^{8},3$l^{8},15$l^{8},17$l^{8},19$l^{8},21$l^{8}-hexamolybdahexadecacyclo[10.10.2.2^{6,15}.1^{3,15}.0^{1,4}.0^{3,14}.0^{4,9}.0^{8,19}.0^{8,21}.0^{9,14}.0^{9,23}.0^{10,17}.0^{10,19}.0^{21,23}.0^{9,25}.0^{17,25}]heptacosane-6,12-diamine","2023-03-08"],["65O","5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine","C17 H14 N4 S2","c12nc(nc(c1c(C)c(s2)Sc4c3ccccc3ccc4)N)N;Cc1c(Sc2cccc3ccccc23)sc4nc(N)nc(N)c14;Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N","InChI=1S/C17H14N4S2/c1-9-13-14(18)20-17(19)21-15(13)23-16(9)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H4,18,19,20,21)","","2016-01-28","2017-01-26","5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine","2017-02-01"],["RJW","(1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol","C28 H34 O","OC1CCC2(C1CC(CCCCCC)=C2c3ccccc3)/C(c4ccccc4)=C;CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4;CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1","","2016-07-29","2016-10-07","(1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol","2016-10-12"],["65P","(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid","C31 H32 F2 N2 O4","c1cc(F)c(cc1Cn3c2nc(C)c(c(c2cc3)c5ccc4OCCCc4c5C)C(OC(C)(C)C)C(=O)O)F;Cc1nc2n(Cc3ccc(F)c(F)c3)ccc2c(c4ccc5OCCCc5c4C)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3C(C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F","InChI=1S/C31H32F2N2O4/c1-17-20-7-6-14-38-25(20)11-9-21(17)27-22-12-13-35(16-19-8-10-23(32)24(33)15-19)29(22)34-18(2)26(27)28(30(36)37)39-31(3,4)5/h8-13,15,28H,6-7,14,16H2,1-5H3,(H,36,37)/t28-/m0/s1","","2016-01-28","2016-12-09","(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid","2016-12-14"],["RJX","4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid","C18 H13 Cl N2 O3","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)O;OC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)C(=O)O","InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-5-4-12(18(23)24)8-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid","2023-11-08"],["65Q","5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine","C14 H11 F3 N4 O S2","c23sc(Sc1cc(OC(F)(F)F)ccc1)c(c2c(N)nc(n3)N)C;Cc1c(Sc2cccc(OC(F)(F)F)c2)sc3nc(N)nc(N)c13;Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N","InChI=1S/C14H11F3N4OS2/c1-6-9-10(18)20-13(19)21-11(9)24-12(6)23-8-4-2-3-7(5-8)22-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21)","","2016-01-29","2017-01-26","5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine","2017-02-01"],["RJY","ethyl 2-methyl-1,3-thiazole-4-carboxylate","C7 H9 N O2 S","Cc1scc(C(=O)OCC)n1;CCOC(=O)c1csc(C)n1;CCOC(=O)c1csc(n1)C","InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3","","2020-02-13","2020-07-10","ethyl 2-methyl-1,3-thiazole-4-carboxylate","2020-07-15"],["65R","2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide","C24 H28 N4 O2 S","c2c(OCCCC1CCNCC1)cccc2CC(=O)Nc3nc(cs3)c4ccncc4;O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc3scc(n3)c4ccncc4;c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4","InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29)","","2016-01-29","2017-02-03","2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide","2017-02-08"],["RJZ","4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","C19 H18 Br N7 O","Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4;Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N","InChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26)","","2020-09-30","2021-05-21","4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","2021-05-26"],["65S","3-fluoro-2-oxopropanoic acid","C3 H3 F O3","OC(=O)C(CF)=O;OC(=O)C(=O)CF;C(C(=O)C(=O)O)F","InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)","","2016-02-01","2016-09-23","3-fluoro-2-oxopropanoic acid","2016-09-28"],["RK0","N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide","C14 H14 N4 O3 S2","Cc1nc(NC(=O)C)sc1S(=O)(=O)Nc1cc(C#N)c(C)cc1;CC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2ccc(C)c(c2)C#N;Cc1ccc(cc1C#N)NS(=O)(=O)c2c(nc(s2)NC(=O)C)C","InChI=1S/C14H14N4O3S2/c1-8-4-5-12(6-11(8)7-15)18-23(20,21)13-9(2)16-14(22-13)17-10(3)19/h4-6,18H,1-3H3,(H,16,17,19)","","2022-06-23","2022-07-01","N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide","2022-07-06"],["65T","(2E)-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid","C9 H10 N2 O5 S","N[S](=O)(=O)c1ccc(CON=CC(O)=O)cc1;c1cc(ccc1CON=CC(=O)O)S(=O)(=O)N","InChI=1S/C9H10N2O5S/c10-17(14,15)8-3-1-7(2-4-8)6-16-11-5-9(12)13/h1-5H,6H2,(H,12,13)(H2,10,14,15)/b11-5-","","2021-07-23","2024-09-27","(2~{E})-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid","2023-01-18"],["RK1","(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide","C17 H25 N3 O","C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C;CCN1CCN=CC[C]1(CC)C(=O)NCc2ccccc2;CCC1(CC=NCCN1CC)C(=O)NCc2ccccc2","InChI=1S/C17H25N3O/c1-3-17(10-11-18-12-13-20(17)4-2)16(21)19-14-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,19,21)/t17-/m1/s1","","2020-02-13","2020-04-03","(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide","2020-04-08"],["65U","5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide","C21 H19 N3 O4","c1(ccccc1)Cc4cc(C(NC3COc2ccccc2N(C)C3=O)=O)no4;CN1C(=O)[CH](COc2ccccc12)NC(=O)c3cc(Cc4ccccc4)on3;CN1c2ccccc2OCC(C1=O)NC(=O)c3cc(on3)Cc4ccccc4","InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1","","2016-02-01","2016-02-26","5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide","2016-03-02"],["RK2","4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","C20 H21 N7 O","C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4;Cc1nc2ccc(nc2n1CC(C)Oc3ccccn3)c4cc(nc(c4)N)N","InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1","","2020-09-30","2021-05-21","4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","2021-05-26"],["65V","3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid","C24 H15 F N4 O4","c5(n4cc(c1nc2c(cc1)c(ccc2)Oc3cc(ccc3)C(=O)O)nn4)cc(c(cc5)O)F;OC(=O)c1cccc(Oc2cccc3nc(ccc23)c4cn(nn4)c5ccc(O)c(F)c5)c1;c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O","InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)","","2016-02-01","2016-06-24","3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid","2016-06-29"],["RK3","(1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol","C17 H21 N5 O13 P2","O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn6cnc45;c1cn2cnc3c(c2n1)ncn3C4C(C5C(O4)COP(=O)(OP(=O)(OCC6C(C(C(O6)O5)O)O)O)O)O","InChI=1S/C17H21N5O13P2/c23-10-7-3-30-36(26,27)35-37(28,29)31-4-8-13(34-17(33-7)11(10)24)12(25)16(32-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-25H,3-4H2,(H,26,27)(H,28,29)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1","1''-3'gc(etheno)ADPR","2022-11-30","2024-02-16","(1~{S},3~{S},4~{R},5~{R},7~{R},15~{R},16~{S},17~{R})-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol","2024-02-21"],["65W","2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid","C20 H18 O3","O=C(C(C)(C)Oc1ccc(cc1)c3c2ccccc2ccc3)O;CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3","InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)","","2016-02-02","2016-11-18","2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid","2016-11-23"],["RK4","3-[(piperidin-1-yl)methyl]benzoic acid","C13 H17 N O2","C1CCN(CC1)Cc2cccc(C(=O)O)c2;OC(=O)c1cccc(CN2CCCCC2)c1;c1cc(cc(c1)C(=O)O)CN2CCCCC2","InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)","","2020-02-13","2020-07-10","3-[(piperidin-1-yl)methyl]benzoic acid","2020-07-15"],["65X","6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline","C21 H19 Cl N6","c2(c(c1nnnn1)c(nc3ccc(cc23)Cl)N4CCCCC4)c5ccccc5;Clc1ccc2nc(N3CCCCC3)c(c4[nH]nnn4)c(c5ccccc5)c2c1;c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl","InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)","","2016-02-02","2017-01-20","6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline","2017-01-25"],["RK5","4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine","C15 H15 N3 O","Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3;Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C","InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)","","2020-09-30","2021-05-21","4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine","2021-05-26"],["65Y","6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid","C22 H22 Cl N O2","c2c3c(c1cccc(C(C)C)c1)c(c(C(C)C)nc3ccc2Cl)C(=O)O;CC(C)c1cccc(c1)c2c3cc(Cl)ccc3nc(C(C)C)c2C(O)=O;CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl","InChI=1S/C22H22ClNO2/c1-12(2)14-6-5-7-15(10-14)19-17-11-16(23)8-9-18(17)24-21(13(3)4)20(19)22(25)26/h5-13H,1-4H3,(H,25,26)","","2016-02-02","2016-12-09","6-chloro-2-(propan-2-yl)-4-[3-(propan-2-yl)phenyl]quinoline-3-carboxylic acid","2016-12-14"],["65Z","6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid","C21 H18 Cl2 N2 O2","N1(CCCCC1)c2nc4c(cc(cc4c(c2C(=O)O)c3ccccc3)Cl)Cl;OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1c3ccccc3)N4CCCCC4;c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl","InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)","","2016-02-02","2016-12-09","6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid","2016-12-14"],["RK6","4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide","C19 H16 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)NC;CNC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1;CNC(=O)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-16-14(9-13)10-22-11-17(16)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide","2023-11-08"],["RK7","ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate","C10 H11 Br F N O3","C(O)(C(C(OCC)=O)F)c1ccc(cn1)Br;CCOC(=O)[CH](F)[CH](O)c1ccc(Br)cn1;CCOC(=O)C(C(c1ccc(cn1)Br)O)F","InChI=1S/C10H11BrFNO3/c1-2-16-10(15)8(12)9(14)7-4-3-6(11)5-13-7/h3-5,8-9,14H,2H2,1H3/t8-,9+/m1/s1","","2020-02-13","2020-04-03","ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate","2020-04-08"],["660","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid","C16 H26 N2 O16 P2","OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(CC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10-,11-,12+,13+,14-,15-/m1/s1","UDP-glucose phosphonate","2016-02-02","2021-03-01","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid","2016-03-09"],["RK8","4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","C20 H20 Br N7 O","C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4cccc(Br)n4;Cc1nc2ccc(nc2n1CC(C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N","InChI=1S/C20H20BrN7O/c1-11(29-19-5-3-4-16(21)26-19)10-28-12(2)24-15-7-6-14(25-20(15)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1","","2020-09-30","2021-05-21","4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","2021-05-26"],["661","beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate","C7 H18 O18 P4","O[CH]1[CH](CO[P](O)(O)=O)O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C1C(C(C(C(O1)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C7H18O18P4/c8-5-3(1-21-26(9,10)11)23-4(2-22-27(12,13)14)6(24-28(15,16)17)7(5)25-29(18,19)20/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4+,5-,6+,7+/m0/s1","[(2S,3S,4R,5R,6R)-3-oxidanyl-4,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-2-yl]methyl dihydrogen phosphate","2023-07-12","2024-02-23","[(2~{S},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-2-yl]methyl dihydrogen phosphate","2024-02-28"],["RK9","N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide","C14 H14 N4 O3 S2","Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc1;CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2cccc(c2)C#N;CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2cccc(c2)C#N)C","InChI=1S/C14H14N4O3S2/c1-3-12(19)17-14-16-9(2)13(22-14)23(20,21)18-11-6-4-5-10(7-11)8-15/h4-7,18H,3H2,1-2H3,(H,16,17,19)","","2022-06-23","2022-07-01","N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide","2022-07-06"],["662","5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-3-[(2R,3R,4R,5R)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide","C29 H31 F N6 O5","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCC)C(O)C5C;CCCNc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](C)[CH]3O;CCCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O","InChI=1S/C29H31FN6O5/c1-3-10-31-26-23-27(34-14-33-26)36(15-35-23)29-24(38)16(2)22(41-29)5-4-11-32-28(40)20-12-18(13-21(37)25(20)39)17-6-8-19(30)9-7-17/h4-9,12-16,22,24,29,37-39H,3,10-11H2,1-2H3,(H,32,40)(H,31,33,34)/b5-4+/t16-,22+,24+,29+/m0/s1","","2010-07-23","2011-07-29","N-propyl-9-[(5E)-3,5,6,7-tetradeoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-3-methyl-beta-D-xylo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["663","3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE","C23 H18 Cl3 N5 O3 S","Clc1ccc(nc1)NC(=O)c2cc(Cl)cc(OC)c2NC(=O)c3scc(c3Cl)Cc4nccn4C;COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c3scc(Cc4nccn4C)c3Cl;Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl","InChI=1S/C23H18Cl3N5O3S/c1-31-6-5-27-18(31)7-12-11-35-21(19(12)26)23(33)30-20-15(8-14(25)9-16(20)34-2)22(32)29-17-4-3-13(24)10-28-17/h3-6,8-11H,7H2,1-2H3,(H,30,33)(H,28,29,32)","","2007-04-02","2011-06-04","3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide",""],["RKA","N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE","C30 H25 N5","[N@H]=C(c1ccccc1)Nc5ccc(c4ccc(c3ccc(NC(=[N@H])c2ccccc2)cc3)n4)cc5;N=C(Nc1ccc(cc1)c2[nH]c(cc2)c3ccc(NC(=N)c4ccccc4)cc3)c5ccccc5;[H]N=C(c1ccccc1)Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)NC(=N[H])c5ccccc5","InChI=1S/C30H25N5/c31-29(23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)27-19-20-28(35-27)22-13-17-26(18-14-22)34-30(32)24-9-5-2-6-10-24/h1-20,35H,(H2,31,33)(H2,32,34)","","2006-05-11","2011-06-04","N,N'-(1H-pyrrole-2,5-diyldibenzene-4,1-diyl)dibenzenecarboximidamide",""],["RKC","(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one","C21 H17 Cl N2 O2","Clc1ccc2OCCC3(CCN(C3=O)c3cncc4ccccc43)c2c1;Clc1ccc2OCC[C]3(CCN(C3=O)c4cncc5ccccc45)c2c1;c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl","InChI=1S/C21H17ClN2O2/c22-15-5-6-19-17(11-15)21(8-10-26-19)7-9-24(20(21)25)18-13-23-12-14-3-1-2-4-16(14)18/h1-6,11-13H,7-10H2/t21-/m1/s1","","2023-08-22","2023-11-03","(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one","2023-11-08"],["664","1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE","C24 H26 F3 N7 O2","O=C2c1cc(n(c1CCN2)C)c3nc(ncc3)Nc5cc(N4CCN(C)CC4)ccc5OC(F)(F)F;CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3nccc(n3)c4cc5C(=O)NCCc5n4C)c2;Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C","InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)","","2011-10-18","2014-09-05","1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",""],["RKD","(2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium","C17 H17 Cl N3 O","Clc1ccc(cc1)C(O)(c3ccc(c2cnnc2)cc3)C[NH3+];[NH3+]C[C](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3;c1cc(ccc1c2c[nH]nc2)C(C[NH3+])(c3ccc(cc3)Cl)O","InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/p+1/t17-/m0/s1","(1S)-2-AMINO-1-(4-CHLOROPHENYL)-1-(4-(1H-PYRAZOL-4-YL)PHENYL)ETHAN-1-OL","2012-06-12","2020-06-17","(2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium",""],["665","(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE","C17 H21 Br N2 O2","Brc1cccc(c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3;Brc1cccc(NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2)c1;c1cc(cc(c1)Br)NC(=O)C2CC(=O)N(C2)C3CCCCC3","InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1","","2006-06-14","2011-06-04","(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide",""],["666","6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE","C24 H24 I N3 O2","O=C4NN=C(c3ccc(NC1=C(C(=O)CCC1)Cc2cccc(I)c2)cc3)C(C)C4;C[CH]1CC(=O)NN=C1c2ccc(NC3=C(Cc4cccc(I)c4)C(=O)CCC3)cc2;CC1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I","InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1","(5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE","2004-03-19","2021-03-13","(5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one",""],["RKE","(R)-ketamine","C13 H16 Cl N O","Clc1c(cccc1)C2(NC)C(=O)CCCC2;CN[C]1(CCCCC1=O)c2ccccc2Cl;CNC1(CCCCC1=O)c2ccccc2Cl","InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1","(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone","2011-05-02","2021-03-01","(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone","2012-08-24"],["RKF","(11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","C38 H20 F2 N12 Ru","c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61","InChI=1S/C18H8F2N4.2C10H6N4.Ru/c19-11-7-13-14(8-12(11)20)24-18-10-4-2-6-22-16(10)15-9(17(18)23-13)3-1-5-21-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;2*1-6H;/q;;;+2","","2013-11-01","2014-10-03","(11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","2014-10-08"],["667","6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE","C14 H15 N O5 S","O=S(=O)(Oc1cc2OC(=O)C3=C(c2cc1)CCCCC3)N;N[S](=O)(=O)Oc1ccc2C3=C(CCCCC3)C(=O)Oc2c1;c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3","InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)","","2004-09-27","2011-06-04","6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate",""],["RKG","methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate","C12 H15 N3 O3","C3C21C(CN(C(OC)=O)C1)CC(O2)c4c3ncn4;COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34;COC(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3","InChI=1S/C12H15N3O3/c1-17-11(16)15-4-7-2-9-10-8(13-6-14-10)3-12(7,5-15)18-9/h6-7,9H,2-5H2,1H3,(H,13,14)/t7-,9-,12+/m0/s1","","2020-02-13","2020-04-03","methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate","2020-04-08"],["668","2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide","C25 H35 Cl F3 N3 O3","FC(C(C(N3CCC(C1CCN(CC1)c2cc(Cl)c(C(N(C)C)=O)cc2)CC3)=O)(C(C)C)O)(F)F;CC(C)[C](O)(C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(Cl)c3)C(=O)N(C)C)C(F)(F)F;CC(C)C(C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O","InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m1/s1","","2016-01-14","2016-04-01","2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide","2016-04-06"],["RKH","4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine","C14 H13 N3 O","Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3;Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N","InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)","","2020-10-01","2021-05-21","4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine","2021-05-26"],["669","1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID","C22 H21 Cl2 N O5","Clc1cccc(Cl)c1COc2cc3c(cc2)n(c(c3)C(=O)O)CCCCCC(=O)O;OC(=O)CCCCCn1c(cc2cc(OCc3c(Cl)cccc3Cl)ccc12)C(O)=O;c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl","InChI=1S/C22H21Cl2NO5/c23-17-5-4-6-18(24)16(17)13-30-15-8-9-19-14(11-15)12-20(22(28)29)25(19)10-3-1-2-7-21(26)27/h4-6,8-9,11-12H,1-3,7,10,13H2,(H,26,27)(H,28,29)","","2002-10-10","2011-06-04","1-(5-carboxypentyl)-5-[(2,6-dichlorobenzyl)oxy]-1H-indole-2-carboxylic acid",""],["66A","7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C27 H29 N5 O","c2(cc(OCc1ccccc1)ccc2)c6c3c(N)ncnc3n(C5CC(CN4CCC4)C5)c6;Nc1ncnc2n(cc(c3cccc(OCc4ccccc4)c3)c12)[CH]5C[CH](C5)CN6CCC6;c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6","InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)/t20-,22+","","2016-02-03","2016-04-01","7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2016-04-06"],["RKI","(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid","C16 H13 N3 O3 S","O=C(O)Cc1cccc(c1)CNC(=O)c1ncnc2ccsc12;OC(=O)Cc1cccc(CNC(=O)c2ncnc3ccsc23)c1;c1cc(cc(c1)CNC(=O)c2c3c(ccs3)ncn2)CC(=O)O","InChI=1S/C16H13N3O3S/c20-13(21)7-10-2-1-3-11(6-10)8-17-16(22)14-15-12(4-5-23-15)18-9-19-14/h1-6,9H,7-8H2,(H,17,22)(H,20,21)","","2022-06-23","2022-07-01","(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid","2022-07-06"],["RKJ","(4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol","C14 H21 N3 O2","N1(C3c4onc(C)c4C(C12C(CN(C2)CC)C3)O)C;CCN1C[CH]2C[CH]3N(C)[C]2(C1)[CH](O)c4c(C)noc34;CCN1CC2CC3c4c(c(no4)C)C(C2(C1)N3C)O","InChI=1S/C14H21N3O2/c1-4-17-6-9-5-10-12-11(8(2)15-19-12)13(18)14(9,7-17)16(10)3/h9-10,13,18H,4-7H2,1-3H3/t9-,10-,13+,14+/m0/s1","","2020-02-13","2020-04-03","(4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol","2020-04-08"],["66B","(8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid","C24 H36 O3","O=C(O)CCCCC(=O)C[C@H]=[C@H]CC[C@H]=[C@H]C[C@H]=CCC=C/CC=C/CC;CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(O)=O;CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(=O)O","InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,17-16+","","2014-11-26","2024-09-27","(8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid","2015-04-08"],["66C","4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine","C27 H26 N6 O3","O=C(CCN)N2Cc1ccccc1c4c(c3c2cccc3)nnn4c5ccc(cc5)CC(C(=O)O)N;NCCC(=O)N1Cc2ccccc2c3n(nnc3c4ccccc14)c5ccc(C[CH](N)C(O)=O)cc5;c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)CC(C(=O)O)N)C(=O)CCN","InChI=1S/C27H26N6O3/c28-14-13-24(34)32-16-18-5-1-2-6-20(18)26-25(21-7-3-4-8-23(21)32)30-31-33(26)19-11-9-17(10-12-19)15-22(29)27(35)36/h1-12,22H,13-16,28-29H2,(H,35,36)/t22-/m0/s1","","2016-02-03","2024-09-27","4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine","2016-07-13"],["RKK","4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine","C19 H26 N6","CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3;CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N","InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)","4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine","2020-10-01","2021-05-21","4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine","2021-05-26"],["RKL","Ru(tap)2(dppz) complex","C38 H22 N12 Ru","n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13;[Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8ccccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%13;c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36","InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-10H;2*1-6H;/q;;;+2","","2011-02-09","2011-10-14","(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)",""],["66D","(4R)-2,4-dimethyl-L-norleucine","C8 H17 N O2","NC(CC(C)CC)(C)C(O)=O;CC[CH](C)C[C](C)(N)C(O)=O;CCC(C)CC(C)(C(=O)O)N","InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8+/m1/s1","","2016-02-03","2024-09-27","(4R)-2,4-dimethyl-L-norleucine","2016-05-25"],["RKM","(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium","C39 H24 N12 Ru","n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)ccc(c7)C)cccn89)nccc(nccn)cccncc;[Ru].Cc1ccc2nc3c4cccnc4c5ncccc5c3nc2c1.c6cnc7c(ccc8nccnc78)n6.c9cncc(cccnccnc)n9;Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81","InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-6-7-14-15(10-11)23-19-13-5-3-9-21-17(13)16-12(18(19)22-14)4-2-8-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h2-10H,1H3;2*1-6H;","","2014-11-25","2015-05-08","(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium","2015-05-13"],["66E","N-ethyl-L-valine","C7 H15 N O2","C(NC(C(O)=O)C(C)C)C;CCN[CH](C(C)C)C(O)=O;CCNC(C(C)C)C(=O)O","InChI=1S/C7H15NO2/c1-4-8-6(5(2)3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1","","2016-02-03","2024-09-27","N-ethyl-L-valine","2017-08-16"],["RKN","(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium","C14 H15 Cl N","C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2;C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2","InChI=1S/C14H14ClN/c1-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3/p+1","","2016-12-16","2017-05-19","(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium","2017-05-24"],["66F","N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide","C17 H17 F2 N5 O3 S","c2(cc(NC(c1ncc(cc1)F)=O)ccc2F)C3(CS(=O)(N(C)C(N)=N3)=O)C;CN1C(=N[C](C)(C[S]1(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N;CC1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F","InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1","","2016-02-03","2016-11-04","N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide","2016-11-09"],["RKO","2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide","C14 H11 Cl N4 O S","Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1;c1ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl","InChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20)","","2022-11-30","2023-09-08","2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide","2023-09-13"],["66G","(4Z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazol-5(4H)-one","C8 H10 N2 O3 S","O=C1OC(=NC1=C(/S)O)C2NCCC2;OC(S)=C1N=C(OC1=O)[CH]2CCCN2;C1CC(NC1)C2=NC(=C(O)S)C(=O)O2","InChI=1S/C8H10N2O3S/c11-7-5(8(12)14)10-6(13-7)4-2-1-3-9-4/h4,9,12,14H,1-3H2/b8-5-/t4-/m0/s1","","2010-07-07","2011-06-04","(4Z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazol-5(4H)-one",""],["RKP","Lambda-Ru(phen)2(dppz) complex","C42 H26 N8 Ru","n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru]%10%14(n5ccc6)(n8c7c9c(ccc7ccc8)cccn9%10)n%12cccc%11ccc%13c(c%11%12)n%14ccc%13;[Ru]|1|2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8ccc9cccn|2c9c78)|n%10cccc%11c%10c%12n|3cccc%12c%13nc%14ccccc%14nc%11%13;c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81","InChI=1S/C18H10N4.2C12H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10H;2*1-8H;","","2011-10-18","2013-04-17","(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]ruthenium",""],["66H","N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide","C21 H18 N4 O3","C1(NC(/N(C1=O)C)=N)(c3cc(NC(c2ccco2)=O)ccc3)c4ccccc4;CN1C(=N)N[C](C1=O)(c2ccccc2)c3cccc(NC(=O)c4occc4)c3;CN1C(=O)C(NC1=N)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4","InChI=1S/C21H18N4O3/c1-25-19(27)21(24-20(25)22,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-18(26)17-11-6-12-28-17/h2-13H,1H3,(H2,22,24)(H,23,26)/t21-/m1/s1","","2016-02-03","2016-11-04","N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide","2016-11-09"],["66I","{(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)","C20 H23 F2 N7 O9 S","Oc1ccc(cc1)CC(N)C(=O)NS(=O)(=O)OCC1OC(n2nc(OC(F)F)c3c(N)ncnc32)C(O)C1O;N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3nc(OC(F)F)c4c(N)ncnc34;c1cc(ccc1CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3c4c(c(ncn4)N)c(n3)OC(F)F)O)O)N)O","InChI=1S/C20H23F2N7O9S/c21-20(22)38-18-12-15(24)25-7-26-16(12)29(27-18)19-14(32)13(31)11(37-19)6-36-39(34,35)28-17(33)10(23)5-8-1-3-9(30)4-2-8/h1-4,7,10-11,13-14,19-20,30-32H,5-6,23H2,(H,28,33)(H2,24,25,26)/t10-,11+,13+,14+,19+/m0/s1","","2021-08-02","2022-06-03","{(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)","2022-06-08"],["RKQ","4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","C20 H20 N6 O","Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4;Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N","InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25)","","2020-10-01","2021-05-21","4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","2021-05-26"],["RKR","2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide","C19 H18 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)C;CN(C)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CN(C)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C19H18ClN3O/c1-23(2)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide","2023-11-08"],["66J","(3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide","C17 H17 Cl N4 O2 S2","c3(c2cc(c(C1(C)CS(N(C(=N)N1)C)(=O)=O)s2)Cl)cc(C#CC)cnc3;CC#Cc1cncc(c1)c2sc(c(Cl)c2)[C]3(C)C[S](=O)(=O)N(C)C(=N)N3;CC#Cc1cc(cnc1)c2cc(c(s2)C3(CS(=O)(=O)N(C(=N)N3)C)C)Cl","InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1","","2016-02-03","2016-11-04","(3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide","2016-11-09"],["RKS","methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate","C24 H36 N4 O10","O=C(OC)C(NC(=O)C(NC(=O)c1cccc(O)c1O)CCCCN(O)C(=O)C)CCCCN(O)C(=O)C;COC(=O)[CH](CCCCN(O)C(C)=O)NC(=O)[CH](CCCCN(O)C(C)=O)NC(=O)c1cccc(O)c1O;CC(=O)N(CCCCC(C(=O)NC(CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O","InChI=1S/C24H36N4O10/c1-15(29)27(36)13-6-4-10-18(25-22(33)17-9-8-12-20(31)21(17)32)23(34)26-19(24(35)38-3)11-5-7-14-28(37)16(2)30/h8-9,12,18-19,31-32,36-37H,4-7,10-11,13-14H2,1-3H3,(H,25,33)(H,26,34)/t18-,19+/m1/s1","2,3-catecholamide bis-lysine(hydroxamate) methyl ester","2009-06-19","2021-03-13","methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate",""],["66K","4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide","C32 H36 F3 N5 O3","C1CN(C)CCN1Cc2ccc(cc2C(F)(F)F)C(Nc3ccc(C)c(c3)OC4CCN(CC4)C(=O)c5cccnc5)=O;CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(OC4CCN(CC4)C(=O)c5cccnc5)c3;Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C","InChI=1S/C32H36F3N5O3/c1-22-5-8-26(19-29(22)43-27-9-12-40(13-10-27)31(42)24-4-3-11-36-20-24)37-30(41)23-6-7-25(28(18-23)32(33,34)35)21-39-16-14-38(2)15-17-39/h3-8,11,18-20,27H,9-10,12-17,21H2,1-2H3,(H,37,41)","","2016-02-04","2016-07-08","4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide","2016-07-13"],["RKT","pyrazino[2,3-f]quinoxaline","C10 H6 N4","n1c3c(ncc1)ccc2nccnc23;c1cnc2c(ccc3nccnc23)n1;c1cc2c(c3c1nccn3)nccn2","InChI=1S/C10H6N4/c1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9/h1-6H","","2011-06-09","2012-05-25","pyrazino[2,3-f]quinoxaline",""],["66L","N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","C31 H29 F2 N5 O5","C1COCCN1CCOc2cc3c(cn2)c(ccn3)Oc4ccc(cc4F)NC(C6(C(=O)Nc5ccc(F)cc5)CC6)=O;Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ncc45)c(F)c3)cc1;c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F","InChI=1S/C31H29F2N5O5/c32-20-1-3-21(4-2-20)36-29(39)31(8-9-31)30(40)37-22-5-6-27(24(33)17-22)43-26-7-10-34-25-18-28(35-19-23(25)26)42-16-13-38-11-14-41-15-12-38/h1-7,10,17-19H,8-9,11-16H2,(H,36,39)(H,37,40)","","2016-02-04","2017-01-26","N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2017-02-01"],["66M","(2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)","C20 H27 N7 O9","n1c2n(cnc2c(N)nc1)C3OC(C(=O)NCCCCCC(=O)NC(CC(=O)O)C(O)=O)C(C3O)O;Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCCCCCC(=O)N[CH](CC(O)=O)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCCCCC(=O)NC(CC(=O)O)C(=O)O)O)O)N","InChI=1S/C20H27N7O9/c21-16-12-17(24-7-23-16)27(8-25-12)19-14(32)13(31)15(36-19)18(33)22-5-3-1-2-4-10(28)26-9(20(34)35)6-11(29)30/h7-9,13-15,19,31-32H,1-6H2,(H,22,33)(H,26,28)(H,29,30)(H,34,35)(H2,21,23,24)/t9-,13+,14-,15+,19-/m1/s1","","2016-02-04","2024-09-27","(2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)","2016-03-16"],["RKU","(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid","C17 H13 Br F N3 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1cc(F)cc2[NH]cnc12;OC(=O)C[CH](NC(=O)c1cc(F)cc2[nH]cnc12)c3ccc(Br)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2cc(cc3c2nc[nH]3)F)Br","InChI=1S/C17H13BrFN3O3/c18-10-3-1-9(2-4-10)13(7-15(23)24)22-17(25)12-5-11(19)6-14-16(12)21-8-20-14/h1-6,8,13H,7H2,(H,20,21)(H,22,25)(H,23,24)/t13-/m0/s1","","2022-06-23","2022-07-01","(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid","2022-07-06"],["66N","L-alaninamide","C3 H8 N2 O","O=C(C(N)C)N;C[CH](N)C(N)=O;CC(C(=O)N)N","InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1","","2016-02-04","2024-09-27","L-alaninamide","2016-03-16"],["RKV","3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid","C9 H8 N2 O3","c1c(n(nc1c2ccco2)C)C(O)=O;Cn1nc(cc1C(O)=O)c2occc2;Cn1c(cc(n1)c2ccco2)C(=O)O","InChI=1S/C9H8N2O3/c1-11-7(9(12)13)5-6(10-11)8-3-2-4-14-8/h2-5H,1H3,(H,12,13)","","2020-02-13","2020-07-10","3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid","2020-07-15"],["RKW","~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide","C16 H16 N4 O2","CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2;CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3","InChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21)","","2020-10-01","2021-05-21","~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide","2021-05-26"],["66O","alpha-L-6-dexoy-gulopyranose","C6 H12 O5","C1(C(C(C(O)C(C)O1)O)O)O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4-,5-,6+/m0/s1","alpha-L-6-dexoy-gulose; L-6-dexoy-gulose; 6-dexoy-gulose; alpha-L-Fucopyranose; 6-deoxy-alpha-L-gulopyranose","2016-02-04","2020-07-17","6-deoxy-alpha-L-gulopyranose","2020-07-29"],["RKX","4-methoxybenzenecarboximidamide","C8 H10 N2 O","COc1ccc(cc1)C(N)=N;COc1ccc(cc1)C(=N)N","InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)","","2021-12-21","2022-06-10","4-methoxybenzenecarboximidamide","2022-06-15"],["66P","4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one","C18 H21 N5 O","C=1(C=CNC(=O)C=1c2nc3c(n2)cccc3)NC4CCC(CC4)N;N[CH]1CC[CH](CC1)NC2=C(C(=O)NC=C2)c3[nH]c4ccccc4n3;c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N","InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+","4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one","2016-02-04","2021-03-01","4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one","2016-03-16"],["66R","trans-Ned 19","C30 H31 F N4 O3","c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C5c4nc6c(c4CC(N5)C(O)=O)cccc6)F;COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[CH]4N[CH](Cc5c4[nH]c6ccccc56)C(O)=O;COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)C4c5c(c6ccccc6[nH]5)CC(N4)C(=O)O","InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m0/s1","(1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxy\nlic acid","2016-02-05","2020-06-17","(1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid","2016-03-09"],["RKY","4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid","C13 H14 O5","c1cc(C(CCC(O)=O)=O)cc2c1OCCCO2;OC(=O)CCC(=O)c1ccc2OCCCOc2c1;c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2","InChI=1S/C13H14O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8H,1,3,5-7H2,(H,15,16)","","2020-02-13","2020-07-10","4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid","2020-07-15"],["RKZ","4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","C21 H22 N6 O","C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4;Cc1nc2ccc(nc2n1CC(C)Oc3ccccc3)c4cc(nc(c4)N)N","InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1","","2020-10-01","2021-05-21","4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine","2021-05-26"],["66S","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate","C19 H37 N2 O8 P S","P(=O)(O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)O;CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m0/s1","","2016-02-08","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate","2016-03-09"],["RL0","2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide","C19 H18 Cl N3 O3 S","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O;CN(c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1)[S](C)(=O)=O;CN(c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl)S(=O)(=O)C","InChI=1S/C19H18ClN3O3S/c1-23(27(2,25)26)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide","2023-11-08"],["66T","N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide","C26 H33 N5 O3","O=C(c2ccc(N1CC(NC(C)C1)C)cc2)Nc3cc(nn3)CCc4cc(OC)cc(OC)c4;COc1cc(CCc2cc([nH]n2)NC(=O)c3ccc(cc3)N4C[CH](C)N[CH](C)C4)cc(OC)c1;CC1CN(CC(N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC","InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+","","2014-09-11","2014-11-14","N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide","2014-11-19"],["66U","(1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C7 H15 N O5","C1(O)C(CO)C(C(C(C1O)O)O)N;N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;C(C1C(C(C(C(C1O)O)O)O)N)O","InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7-/m0/s1","","2016-02-09","2024-09-27","(1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2016-05-04"],["RL1","[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone","C22 H17 Br N4 O3","Brc1ccc2nnc(n2c1)c3cc(c(O)cc3O)C(=O)N5Cc4c(cccc4)CC5;Oc1cc(O)c(cc1C(=O)N2CCc3ccccc3C2)c4nnc5ccc(Br)cn45;c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br","InChI=1S/C22H17BrN4O3/c23-15-5-6-20-24-25-21(27(20)12-15)16-9-17(19(29)10-18(16)28)22(30)26-8-7-13-3-1-2-4-14(13)11-26/h1-6,9-10,12,28-29H,7-8,11H2","","2013-06-24","2014-06-13","[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone","2014-06-18"],["66V","1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium","C15 H31 N4 O5","C1(C(C(C(C(C1O)O)O)CO)NCCCCCCCCN=[N+]=N)O;OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1NCCCCCCCCN=[N+]=N;C(CCCCN=[N+]=N)CCCNC1C(C(C(C(C1O)O)O)O)CO","InChI=1S/C15H31N4O5/c16-19-18-8-6-4-2-1-3-5-7-17-11-10(9-20)12(21)14(23)15(24)13(11)22/h10-17,20-24H,1-9H2/q+1/t10-,11-,12+,13+,14-,15-/m0/s1","","2016-02-09","2024-09-27","1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium","2016-05-04"],["RL2","N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE","C19 H28 N2 O5","O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1;CC(C)CCNC(=O)[CH](CCc1ccccc1)NC(=O)[CH](O)CC(O)=O;CC(C)CCNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)O)O","InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1","WRR-112","2000-05-03","2024-09-27","(3S)-3-hydroxy-4-({(2S)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid",""],["RL3","[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone","C18 H18 Br N5 O3","O=C(N1CCN(C)CC1)c4cc(c3nnc2ccc(Br)cn23)c(O)cc4O;CN1CCN(CC1)C(=O)c2cc(c(O)cc2O)c3nnc4ccc(Br)cn34;CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br","InChI=1S/C18H18BrN5O3/c1-22-4-6-23(7-5-22)18(27)13-8-12(14(25)9-15(13)26)17-21-20-16-3-2-11(19)10-24(16)17/h2-3,8-10,25-26H,4-7H2,1H3","","2013-06-24","2014-06-13","[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone","2014-06-18"],["66X","N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea","C22 H28 F3 N7 O2","C1C(CCN1c2ccnc(NC)n2)NC(Nc3cc(c(cc3)CN4CCOCC4)C(F)(F)F)=O;CNc1nccc(n1)N2CC[CH](C2)NC(=O)Nc3ccc(CN4CCOCC4)c(c3)C(F)(F)F;CNc1nccc(n1)N2CCC(C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4","InChI=1S/C22H28F3N7O2/c1-26-20-27-6-4-19(30-20)32-7-5-17(14-32)29-21(33)28-16-3-2-15(18(12-16)22(23,24)25)13-31-8-10-34-11-9-31/h2-4,6,12,17H,5,7-11,13-14H2,1H3,(H,26,27,30)(H2,28,29,33)/t17-/m0/s1","","2016-02-09","2016-04-15","N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea","2016-04-20"],["RL4","(5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol","C29 H33 N O2","CC1CCCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5;C[CH]1CCCN1CCOc2ccc(cc2)[CH]3[CH](CCc4cc(O)ccc34)c5ccccc5;CC1CCCN1CCOc2ccc(cc2)C3c4ccc(cc4CCC3c5ccccc5)O","InChI=1S/C29H33NO2/c1-21-6-5-17-30(21)18-19-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-20-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,20-21,27,29,31H,5-6,11,15,17-19H2,1H3/t21-,27-,29+/m1/s1","","2020-02-13","2020-03-13","(5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol","2020-03-18"],["66Y","(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one","C6 H7 N O","C1C2NC(=O)C1C=C2;O=C1N[CH]2C[CH]1C=C2;C1C2C=CC1NC2=O","InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1","","2016-02-10","2017-01-26","(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one","2017-02-01"],["RL5","1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid","C12 H15 N5 O3 S","CCNc1ncc(s1)C(=O)NCCn1cc(nc1)C(=O)O;CCNc1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O;CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O","InChI=1S/C12H15N5O3S/c1-2-13-12-15-5-9(21-12)10(18)14-3-4-17-6-8(11(19)20)16-7-17/h5-7H,2-4H2,1H3,(H,13,15)(H,14,18)(H,19,20)","","2022-06-23","2022-07-01","1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid","2022-07-06"],["66Z","(1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one","C6 H7 N O","O=C1N[CH]2C[CH]1C=C2;C1C2C=CC1NC2=O","InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1","","2016-02-10","2017-01-26","(1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one","2017-02-01"],["670","p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide","C18 H8 Fe N4 O2 S","O=S(=O)(c1ccc(cc1)n2nnc(c2)C3%11C%13=C%12C5=C34)N;[Fe]|1|2|3|4|5|6|7|8(|[CH]9[C]|1=[C]|2[C]|3=[C]|49)|[C]%10=[C]|5[C]|6([C]|7=[C]|8%10)c%11cn(nn%11)c%12ccc(cc%12)[S](N)(=O)=O;c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N","InChI=1S/C13H7N4O2S.C5H.Fe/c14-20(18,19)12-7-5-11(6-8-12)17-9-13(15-16-17)10-3-1-2-4-10;1-2-4-5-3-1;/h5-9H,(H2,14,18,19);1H;","","2010-11-08","2011-10-07","[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]cyclopentadienyl}iron",""],["RL6","1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone","C11 H9 Cl2 N O","CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12;Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl","InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3","","2022-12-01","2022-12-09","1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone","2022-12-14"],["RL7","N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide","C17 H16 F4 N2 O","C(c1c(cc(cc1)C(F)(F)F)F)c3c(c(C(=O)NC2CC2)nc3)C;Cc1c(Cc2ccc(cc2F)C(F)(F)F)c[nH]c1C(=O)NC3CC3;Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F","InChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24)","","2020-02-14","2020-04-17","N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide","2020-04-22"],["671","1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea","C24 H26 N4 O2","O=C(N3C(c1cccc2c1cccc2)CCC3)CNC(=O)NCc4ccc(N)cc4;Nc1ccc(CNC(=O)NCC(=O)N2CCC[CH]2c3cccc4ccccc34)cc1;c1ccc2c(c1)cccc2C3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N","InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)/t22-/m1/s1","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea","2014-02-19"],["RL8","4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide","C19 H16 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)NC;CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CNC(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide","2023-11-08"],["672","(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE","C36 H54 N8 O4 S","O=C(N2CCN(C(=O)C1CCN(C(=[N@H])N)CC1)CC2)C(NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)Cc4cc(C(=[N@H])N)ccc4;CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3)C(=O)C4CCN(CC4)C(N)=N;[H]N=C(c1cccc(c1)CC(C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=N[H])N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)N","InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1","","2006-05-30","2011-06-04","4-({4-[(2S)-3-(3-carbamimidoylphenyl)-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propanoyl]piperazin-1-yl}carbonyl)piperidine-1-carboximidamide",""],["673","N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine","C21 H27 N O","CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2;CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2","InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3","","2010-01-29","2011-06-04","N-[3-(4-phenyl-2-prop-2-enyl-phenoxy)propyl]propan-2-amine",""],["RL9","4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid","C17 H13 F N2 O3","O=C(O)c1cc(CNC(=O)c2cc3cc[NH]c3cc2)c(F)cc1;OC(=O)c1ccc(F)c(CNC(=O)c2ccc3[nH]ccc3c2)c1;c1cc2c(cc[nH]2)cc1C(=O)NCc3cc(ccc3F)C(=O)O","InChI=1S/C17H13FN2O3/c18-14-3-1-12(17(22)23)8-13(14)9-20-16(21)11-2-4-15-10(7-11)5-6-19-15/h1-8,19H,9H2,(H,20,21)(H,22,23)","","2022-06-23","2022-07-01","4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid","2022-07-06"],["RLA","ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate","C17 H18 F3 N O2","c1(ccc(cc1)Cc2c(nc(C(OCC)=O)c2C)C)C(F)(F)F;CCOC(=O)c1[nH]c(C)c(Cc2ccc(cc2)C(F)(F)F)c1C;CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C","InChI=1S/C17H18F3NO2/c1-4-23-16(22)15-10(2)14(11(3)21-15)9-12-5-7-13(8-6-12)17(18,19)20/h5-8,21H,4,9H2,1-3H3","","2020-02-14","2020-04-17","ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate","2020-04-22"],["674","6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","C15 H10 O5","O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)c(O)c3;Oc1ccc(cc1)C2=COc3cc(O)c(O)cc3C2=O;c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O","InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H","","2007-08-28","2022-01-21","6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","2022-01-26"],["675","6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE","C18 H15 N3 O","O=C(Nc1ccccc1)c3cc2ccc(C(=[N@H])N)cc2cc3;NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3;[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N","InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)","6-(N-PHENYLCARBAMYL)-2-NAPHTHALENECARBOXAMIDINE","2003-04-09","2021-03-01","6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide",""],["RLB","Lambda-[Ru(bpy)2dppz]2+","C38 H26 N8 Ru","n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%11ccccn%11%12;[Ru]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12ccccc%12nc9%11;c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36","InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;","","2013-02-14","2014-12-19","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)ruthenium","2014-12-24"],["RLC","(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C24 H28 F N7 O","CC[CH](CO)Nc1nc(NCc2ccc(c(F)c2)c3ccccn3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(c(c3)F)c4ccccn4","InChI=1S/C24H28FN7O/c1-4-17(13-33)29-24-30-22(21-23(31-24)32(14-28-21)15(2)3)27-12-16-8-9-18(19(25)11-16)20-7-5-6-10-26-20/h5-11,14-15,17,33H,4,12-13H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1","","2022-12-01","2023-09-08","(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["676","N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE","C22 H22 F N5 O2","Fc4nccc(c1cn2c(c1)C(=O)NCC2CC(=O)NC(c3ccccc3)CN)c4;NC[CH](NC(=O)C[CH]1CNC(=O)c2cc(cn12)c3ccnc(F)c3)c4ccccc4;c1ccc(cc1)C(CN)NC(=O)CC2CNC(=O)c3n2cc(c3)c4ccnc(c4)F","InChI=1S/C22H22FN5O2/c23-20-9-15(6-7-25-20)16-8-19-22(30)26-12-17(28(19)13-16)10-21(29)27-18(11-24)14-4-2-1-3-5-14/h1-9,13,17-18H,10-12,24H2,(H,26,30)(H,27,29)/t17-,18+/m0/s1","","2013-07-29","2014-04-29","N-[(1S)-2-amino-1-phenylethyl]-2-[(4S)-7-(2-fluoropyridin-4-yl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide","2013-10-30"],["RLD","2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one","C24 H22 N4 O2","C5CCN(C(c4ccc3c(nc(c2ccc1C(=O)N(C=Cc1c2)C)cn3)c4)=O)CC5;CN1C=Cc2cc(ccc2C1=O)c3cnc4ccc(cc4n3)C(=O)N5CCCCC5;CN1C=Cc2cc(ccc2C1=O)c3cnc4ccc(cc4n3)C(=O)N5CCCCC5","InChI=1S/C24H22N4O2/c1-27-12-9-16-13-17(5-7-19(16)24(27)30)22-15-25-20-8-6-18(14-21(20)26-22)23(29)28-10-3-2-4-11-28/h5-9,12-15H,2-4,10-11H2,1H3","","2020-02-14","2023-03-03","2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one","2023-03-08"],["677","(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine","C18 H16 F3 N3 O2 S","O=S(=O)(c2cc1nc4n(c1cc2)CC(N)C(c3cc(F)c(F)cc3F)C4)C;C[S](=O)(=O)c1ccc2n3C[CH](N)[CH](Cc3nc2c1)c4cc(F)c(F)cc4F;CS(=O)(=O)c1ccc2c(c1)nc3n2CC(C(C3)c4cc(c(cc4F)F)F)N","InChI=1S/C18H16F3N3O2S/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19/h2-5,7,11,15H,6,8,22H2,1H3/t11-,15+/m1/s1","","2009-05-05","2011-06-04","(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine",""],["678","(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE","C17 H13 Br N3 O3","[O-]C(=O)Cc3cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3;NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cc(CC([O-])=O)cc(Br)c3[O-];c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-]","InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1","CRA_9678","2003-03-14","2020-06-17","(3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-bromo-4-oxidophenyl)acetate",""],["RLG","(4R)-1-methyl-4-phenylpyrrolidin-2-one","C11 H13 N O","CN1CC(CC1=O)c2ccccc2;CN1C[CH](CC1=O)c2ccccc2;CN1CC(CC1=O)c2ccccc2","InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1","","2020-02-17","2020-02-21","(4R)-1-methyl-4-phenylpyrrolidin-2-one","2020-02-26"],["RLH","2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide","C23 H24 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2cc(OCCN3CCCC3)ccc21;Clc1cccc(CC(=O)Nc2cncc3cc(OCCN4CCCC4)ccc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)OCCN4CCCC4","InChI=1S/C23H24ClN3O2/c24-19-5-3-4-17(12-19)13-23(28)26-22-16-25-15-18-14-20(6-7-21(18)22)29-11-10-27-8-1-2-9-27/h3-7,12,14-16H,1-2,8-11,13H2,(H,26,28)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide","2023-11-08"],["679","2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID","C17 H10 Cl2 N2 O4","O=C2C(Nc1ccc(Cl)c(C(=O)O)c1)=C(C(=O)N2)c3cccc(Cl)c3;OC(=O)c1cc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)ccc1Cl;c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl","InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)","I-5","2003-08-06","2021-03-01","2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid",""],["RLI","4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid","C17 H16 N4 O3 S2","O=C(O)c3ccc(Nc1nc(cs1)c2sc(nc2C)NC(=O)CC)cc3;CCC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(cc3)C(O)=O)n2;CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C","InChI=1S/C17H16N4O3S2/c1-3-13(22)21-17-18-9(2)14(26-17)12-8-25-16(20-12)19-11-6-4-10(5-7-11)15(23)24/h4-8H,3H2,1-2H3,(H,19,20)(H,23,24)(H,18,21,22)","","2012-02-24","2012-07-27","4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid",""],["67A","3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C20 H13 F3 N4 O2","N1=C(C(=O)C=CN1c2cc(ccc2)OC(F)(F)F)c4n(c3ccccc3)ncc4;FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4;c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F","InChI=1S/C20H13F3N4O2/c21-20(22,23)29-16-8-4-7-15(13-16)26-12-10-18(28)19(25-26)17-9-11-24-27(17)14-5-2-1-3-6-14/h1-13H","","2016-02-10","2016-03-04","3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2016-03-09"],["67B","N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide","C17 H17 N3 O2","c3c(C(=O)N(C)C)cc(C1=CN(C)C(=O)c2c1ccn2)cc3;CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23;CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C","InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3","","2016-02-10","2016-06-03","N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide","2016-06-08"],["RLJ","(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","C19 H14 F3 N3 O3","FC(F)(F)c1cc(ccc1C#N)NC(=O)C(O)(COc2ccc(C#N)cc2)C;C[C](O)(COc1ccc(cc1)C#N)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F;CC(COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O","InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1","","2011-04-22","2011-06-04","(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide",""],["67C","3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide","C20 H21 N3 O2","CN(C(=O)c1cc(ccc1)C=3c2c(ncc2)C(N(C=3)CC[C@H]=C)=O)C;CN(C)C(=O)c1cccc(c1)C2=CN(CCC=C)C(=O)c3[nH]ccc23;CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C","InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3","","2016-02-10","2016-06-03","3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide","2016-06-08"],["RLK","2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide","C19 H27 Br N6 O4 S","CN(C)CCC[S](=O)(=O)N1CCN(CC1)c2ccc(Br)c(NC(=O)c3coc(N)n3)c2;CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br","InChI=1S/C19H27BrN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27)","","2020-10-06","2022-04-15","2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide","2022-04-20"],["RLL","(2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","C23 H16 F3 N3 O3","FC(F)(F)c1cc(ccc1C#N)NC(=O)C(O)(C)COc3ccc(C#N)c2ccccc23;C[C](O)(COc1ccc(C#N)c2ccccc12)C(=O)Nc3ccc(C#N)c(c3)C(F)(F)F;CC(COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O","InChI=1S/C23H16F3N3O3/c1-22(31,13-32-20-9-7-14(11-27)17-4-2-3-5-18(17)20)21(30)29-16-8-6-15(12-28)19(10-16)23(24,25)26/h2-10,31H,13H2,1H3,(H,29,30)/t22-/m0/s1","","2011-04-22","2011-06-04","(2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide",""],["67D","3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine","C23 H23 N7 O7 S","S(NC(CCc2c1ccccc1nc2)=O)(=O)(OCC6OC(n5c4c(c3n(ccn3)cn4)nc5)C(C6O)O)=O;O[CH]1[CH](O)[CH](O[CH]1CO[S](=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)n4cnc5c6nccn6cnc45;c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OCC3C(C(C(O3)n4cnc5c4ncn6c5ncc6)O)O","InChI=1S/C23H23N7O7S/c31-17(6-5-13-9-25-15-4-2-1-3-14(13)15)28-38(34,35)36-10-16-19(32)20(33)23(37-16)30-12-26-18-21-24-7-8-29(21)11-27-22(18)30/h1-4,7-9,11-12,16,19-20,23,25,32-33H,5-6,10H2,(H,28,31)/t16-,19-,20-,23-/m1/s1","","2016-02-10","2016-06-17","3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine","2016-06-22"],["RLM","2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol","C12 H9 Cl2 N O2","Clc1cc(cc(Cl)c1O)Nc2ccc(O)cc2;Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1;c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O","InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H","","2013-05-13","2014-09-05","2,6-dichloro-4-[(4-hydroxyphenyl)amino]phenol","2014-05-28"],["67F","(2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)","C28 H38 N4 O9 S2","O=C(NC1C(OC(C(C1O)O)CO)NC(NCCN(S(=O)(=O)c2ccc(cc2)c3ccccc3)C(C(C)C)C(O)=O)=S)C;CC(C)[CH](N(CCNC(=S)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O)[S](=O)(=O)c2ccc(cc2)c3ccccc3)C(O)=O;CC(C)C(C(=O)O)N(CCNC(=S)NC1C(C(C(C(O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3","InChI=1S/C28H38N4O9S2/c1-16(2)23(27(37)38)32(43(39,40)20-11-9-19(10-12-20)18-7-5-4-6-8-18)14-13-29-28(42)31-26-22(30-17(3)34)25(36)24(35)21(15-33)41-26/h4-12,16,21-26,33,35-36H,13-15H2,1-3H3,(H,30,34)(H,37,38)(H2,29,31,42)/t21-,22-,23+,24-,25-,26-/m1/s1","","2016-02-11","2016-07-01","(2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)","2016-07-06"],["RLN","(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid","C17 H14 N2 O3 S","O=C(O)Cc1ccc(cc1)CNC(=O)c1ccnc2ccsc12;OC(=O)Cc1ccc(CNC(=O)c2ccnc3ccsc23)cc1;c1cc(ccc1CC(=O)O)CNC(=O)c2ccnc3c2scc3","InChI=1S/C17H14N2O3S/c20-15(21)9-11-1-3-12(4-2-11)10-19-17(22)13-5-7-18-14-6-8-23-16(13)14/h1-8H,9-10H2,(H,19,22)(H,20,21)","","2022-06-23","2022-07-01","(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid","2022-07-06"],["67G","(1S,2S)-2-[7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile","C16 H8 Cl F6 N5 O S","C12=NC(=CC(N1C(=C(C(F)(F)F)S2)C3CC3C#N)=O)Cn4nc(cc4Cl)C(F)(F)F;FC(F)(F)c1cc(Cl)n(CC2=CC(=O)N3C(=N2)SC(=C3[CH]4C[CH]4C#N)C(F)(F)F)n1;c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)C4CC4C#N)C(F)(F)F","InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m1/s1","","2016-02-11","2016-03-11","(1S,2S)-2-[7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile","2016-03-16"],["67H","7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide","C18 H19 F N4 O2 S","C(C2=CC(=O)N1C(=C(C)SC1=N2)C(=O)NC)N(CC)c3ccc(cc3)F;CCN(CC1=CC(=O)N2C(=N1)SC(=C2C(=O)NC)C)c3ccc(F)cc3;CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F","InChI=1S/C18H19FN4O2S/c1-4-22(14-7-5-12(19)6-8-14)10-13-9-15(24)23-16(17(25)20-3)11(2)26-18(23)21-13/h5-9H,4,10H2,1-3H3,(H,20,25)","","2016-02-11","2016-03-11","7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide","2016-03-16"],["RLO","(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol","C18 H21 N O5","OC[CH]1O[CH](CC=Cc2ccc3ncccc3c2)[CH](O)[CH](O)[CH]1O;c1cc2cc(ccc2nc1)C=CCC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H21NO5/c20-10-15-17(22)18(23)16(21)14(24-15)5-1-3-11-6-7-13-12(9-11)4-2-8-19-13/h1-4,6-9,14-18,20-23H,5,10H2/b3-1+/t14-,15-,16-,17-,18-/m1/s1","(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-((E)-3-(quinolin-6-yl)allyl)tetrahydro-2H-pyran-3,4,5-triol","2022-12-05","2023-02-10","(2~{R},3~{S},4~{R},5~{S},6~{R})-2-(hydroxymethyl)-6-[(~{E})-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol","2023-02-15"],["RLP","3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID","C14 H18 N4 O9","O=C(O)CCC=2N=C1C(=NC(=O)NC1=O)N(C=2O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=C(CCC(O)=O)N=C2C(=O)NC(=O)N=C12)O;C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)O","InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24,26H,1-4H2,(H,22,23)(H,17,25,27)/t6-,7+,10-/m0/s1","","2003-02-04","2011-06-04","1-[6-(2-carboxyethyl)-7-hydroxy-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-1-deoxy-D-ribitol",""],["67I","(2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid","C11 H10 Br2 N2 O2","N[CH](Cc1c[nH]c2c(Br)cc(Br)cc12)C(O)=O;c1c(cc(c2c1c(c[nH]2)CC(C(=O)O)N)Br)Br","InChI=1S/C11H10Br2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1","","2023-01-12","2023-11-10","(2~{S})-2-azanyl-3-[5,7-bis(bromanyl)-1~{H}-indol-3-yl]propanoic acid","2023-11-15"],["RLR","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C23 H21 Cl N4 O2","O=C1NCCC1N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[CH]5CCNC5=O;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C5CCNC5=O","InChI=1S/C23H21ClN4O2/c24-16-6-5-15-12-28(21-7-8-26-23(21)30)13-19(18(15)9-16)22(29)27-20-11-25-10-14-3-1-2-4-17(14)20/h1-6,9-11,19,21H,7-8,12-13H2,(H,26,30)(H,27,29)/t19-,21-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["67J","N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide","C18 H15 F4 N3 O2 S","C(=O)(C1=C(C)SC=2N1C(=O)C=C(N=2)Cc3cccc(c3F)C(F)(F)F)NCC;CCNC(=O)C1=C(C)SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F;CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C","InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27)","","2016-02-11","2016-03-11","N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide","2016-03-16"],["RLS","(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one","C16 H22 N2 O3 S","CN1C(CC(C1)c2ccc(cc2)S(N3CCCCC3)(=O)=O)=O;CN1C[CH](CC1=O)c2ccc(cc2)[S](=O)(=O)N3CCCCC3;CN1CC(CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3","InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1","","2020-02-17","2020-02-21","(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one","2020-02-26"],["67K","4-hydroxy[2,2'-bipyridine]-6-carbaldehyde","C11 H8 N2 O2","c2c(c1nc(C=O)cc(c1)O)nccc2;Oc1cc(C=O)nc(c1)c2ccccn2;c1ccnc(c1)c2cc(cc(n2)C=O)O","InChI=1S/C11H8N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-7H,(H,13,15)","","2016-02-11","2017-02-10","4-hydroxy[2,2'-bipyridine]-6-carbaldehyde","2017-02-15"],["67L","6-(hydroxymethyl)[2,2'-bipyridin]-4-ol","C11 H10 N2 O2","c1cccnc1c2cc(O)cc(n2)CO;OCc1cc(O)cc(n1)c2ccccn2;c1ccnc(c1)c2cc(cc(n2)CO)O","InChI=1S/C11H10N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-6,14H,7H2,(H,13,15)","","2016-02-11","2017-02-10","6-(hydroxymethyl)[2,2'-bipyridin]-4-ol","2017-02-15"],["RLT","N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di\nhydropyrimidine-4-carboxamide","C20 H21 F N6 O5","CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O;Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F","InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)","RALTEGRAVIR, MK0518","2009-12-28","2020-06-17","N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide",""],["RLU","(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","C16 H13 Br N4 O3","Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12;OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Br)cc3;c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Br","InChI=1S/C16H13BrN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1","","2022-06-23","2022-07-01","(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid","2022-07-06"],["67M","(2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)","C37 H47 N5 O13 S","O=C(NC1C(OC(C(C1OC(C)=O)OC(C)=O)COC(C)=O)OCCCn2cc(nn2)CN(S(=O)(=O)c3ccc(cc3)c4ccccc4)C(C(C)C)C(=O)O)C;CC(C)[CH](N(Cc1cn(CCCO[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2NC(C)=O)nn1)[S](=O)(=O)c3ccc(cc3)c4ccccc4)C(O)=O;CC(C)C(C(=O)O)N(Cc1cn(nn1)CCCOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4","InChI=1S/C37H47N5O13S/c1-22(2)33(36(47)48)42(56(49,50)30-15-13-28(14-16-30)27-11-8-7-9-12-27)20-29-19-41(40-39-29)17-10-18-51-37-32(38-23(3)43)35(54-26(6)46)34(53-25(5)45)31(55-37)21-52-24(4)44/h7-9,11-16,19,22,31-35,37H,10,17-18,20-21H2,1-6H3,(H,38,43)(H,47,48)/t31-,32-,33-,34-,35-,37-/m1/s1","","2016-02-12","2016-07-01","(2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)","2016-07-06"],["67N","6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","C8 H8 N2 O","C=1c2c(C(=O)N(C=1)C)ncc2;CN1C=Cc2cc[nH]c2C1=O;CN1C=Cc2cc[nH]c2C1=O","InChI=1S/C8H8N2O/c1-10-5-3-6-2-4-9-7(6)8(10)11/h2-5,9H,1H3","","2016-02-12","2016-10-07","6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","2016-10-12"],["RLV","4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide","C14 H20 N2 O3 S","CN2C(CC(c1ccc(S(NCCC)(=O)=O)cc1)C2)=O;CCCN[S](=O)(=O)c1ccc(cc1)[CH]2CN(C)C(=O)C2;CCCNS(=O)(=O)c1ccc(cc1)C2CC(=O)N(C2)C","InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-4-11(5-7-13)12-9-14(17)16(2)10-12/h4-7,12,15H,3,8-10H2,1-2H3/t12-/m0/s1","","2020-02-17","2020-02-21","4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide","2020-02-26"],["RLW","3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one","C17 H22 N2 O3","COc1ccc(cc1OC2CCCC2)C3=NNC(=O)C3(C)C;CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C","InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)","","2020-10-08","2021-10-01","3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one","2021-10-06"],["67O","(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione","C30 H30 F N5 O4","C3(N(C)Cc1cc(cc(c1O)F)NC(OCC(C)c2ccc(cc2C)C3Nc4cc5c(cc4)c(ncc5)N)=O)=O;C[CH]1COC(=O)Nc2cc(F)c(O)c(CN(C)C(=O)[CH](Nc3ccc4c(N)nccc4c3)c5ccc1c(C)c5)c2;Cc1cc2ccc1C(COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)C2Nc4ccc5c(c4)ccnc5N)C)C","InChI=1S/C30H30FN5O4/c1-16-10-19-4-6-23(16)17(2)15-40-30(39)35-22-12-20(27(37)25(31)13-22)14-36(3)29(38)26(19)34-21-5-7-24-18(11-21)8-9-33-28(24)32/h4-13,17,26,34,37H,14-15H2,1-3H3,(H2,32,33)(H,35,39)/t17-,26+/m0/s1","","2016-02-12","2016-06-17","(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione","2016-06-22"],["67P","N-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide","C21 H17 Cl F N3 O4 S","c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(c3cc(c(cc3)F)Cl)(=O)=O;Fc1ccc(cc1Cl)[S](=O)(=O)NCc2ccc(cc2)C(=O)NNC(=O)c3ccccc3;c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F","InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)","","2016-02-15","2016-09-02","N-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide","2016-09-07"],["RLY","N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide","C23 H30 N2 O5 S","c3(ccc(C1CN(C)C(C1)=O)c(c2cc(c(cc2)OC)OC)c3)S(N(CC)CC)(=O)=O;CCN(CC)[S](=O)(=O)c1ccc([CH]2CN(C)C(=O)C2)c(c1)c3ccc(OC)c(OC)c3;CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)C3CC(=O)N(C3)C","InChI=1S/C23H30N2O5S/c1-6-25(7-2)31(27,28)18-9-10-19(17-13-23(26)24(3)15-17)20(14-18)16-8-11-21(29-4)22(12-16)30-5/h8-12,14,17H,6-7,13,15H2,1-5H3/t17-/m1/s1","","2020-02-17","2020-02-21","N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide","2020-02-26"],["RLZ","~{N}-[4-[(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{N}'-[5-methoxy-2-[(~{Z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide","C58 H72 N8 O12","COc1ccc(N=Nc2cc(OC)c(OC)c(OC)c2)c(NC(=O)CCC(=O)NCCCC[CH]3NC(=O)[CH](C)CC(=CCC[CH](C)OC(=O)C[CH](NC(=O)[CH](Cc4c[nH]c5ccccc45)N(C)C3=O)c6ccc(O)cc6)C)c1;CC1CCC=C(CC(C(=O)NC(C(=O)N(C(C(=O)NC(CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5N=Nc6cc(c(c(c6)OC)OC)OC)OC)C)C","InChI=1S/C58H72N8O12/c1-35-14-13-15-37(3)78-54(70)33-47(38-19-21-41(67)22-20-38)63-57(72)49(29-39-34-60-44-17-10-9-16-43(39)44)66(4)58(73)46(62-56(71)36(2)28-35)18-11-12-27-59-52(68)25-26-53(69)61-48-32-42(74-5)23-24-45(48)65-64-40-30-50(75-6)55(77-8)51(31-40)76-7/h9-10,14,16-17,19-24,30-32,34,36-37,46-47,49,60,67H,11-13,15,18,25-29,33H2,1-8H3,(H,59,68)(H,61,69)(H,62,71)(H,63,72)/b35-14+,65-64-/t36-,37-,46-,47+,49+/m0/s1","cis-optoJASP-8;trans-optoJASP-8","2020-10-09","2021-01-22","~{N}-[4-[(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{N}'-[5-methoxy-2-[(~{Z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide","2021-01-27"],["67Q","5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide","C18 H19 F2 N5 O3 S2","c1(c(C)nc(cn1)C(=O)NCC=2CN=C(C)S=2)CNS(c3cc(c(cc3)F)F)(=O)=O;CC1=NCC(=[SH]1)CNC(=O)c2cnc(CN[S](=O)(=O)c3ccc(F)c(F)c3)c(C)n2;Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F","InChI=1S/C18H19F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-5,8,24,29H,6-7,9H2,1-2H3,(H,23,26)","","2016-02-15","2016-09-16","5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide","2016-09-21"],["RM0","2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol","C15 H23 N3 O3","ON=Cc1nc(CCCCCN2CCOCC2)ccc1O;c1cc(c(nc1CCCCCN2CCOCC2)C=NO)O","InChI=1S/C15H23N3O3/c19-15-6-5-13(17-14(15)12-16-20)4-2-1-3-7-18-8-10-21-11-9-18/h5-6,12,19-20H,1-4,7-11H2/b16-12+","","2017-10-30","2018-11-09","2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol","2018-11-14"],["67R","5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide","C17 H15 Cl F N5 O3 S2","c1(ccc(cc1Cl)S(NCc3ncc(C(=O)NCc2cnc(s2)C)nc3)(=O)=O)F;Cc1sc(CNC(=O)c2cnc(CN[S](=O)(=O)c3ccc(F)c(Cl)c3)cn2)cn1;Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F","InChI=1S/C17H15ClFN5O3S2/c1-10-20-7-12(28-10)8-23-17(25)16-9-21-11(5-22-16)6-24-29(26,27)13-2-3-15(19)14(18)4-13/h2-5,7,9,24H,6,8H2,1H3,(H,23,25)","","2016-02-15","2016-09-16","5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide","2016-09-21"],["67S","{2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol","C21 H27 F3 N4 O4 S","O=S(=O)(C)c1c(CO)ccc(c1)N2CC(C(C)C)N(CC2)c3nc(C(F)(F)F)c(cn3)CO;CC(C)[CH]1CN(CCN1c2ncc(CO)c(n2)C(F)(F)F)c3ccc(CO)c(c3)[S](C)(=O)=O;CC(C)C1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO","InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1","","2016-02-15","2016-06-24","{2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol","2016-06-29"],["RM1","N-METHYL-1(R)-AMINOINDAN","C10 H13 N","c1cccc2c1CCC2NC;CN[CH]1CCc2ccccc12;CNC1CCc2c1cccc2","InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1","","2005-11-07","2011-06-04","(1R)-N-methyl-2,3-dihydro-1H-inden-1-amine",""],["67T","2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile","C21 H17 Cl N8 O","C2(=O)c1c(cccc1Cl)N=C(N2c3ccccc3)C(C)Nc4c(C#N)c(nc(n4)N)N;C[CH](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(Cl)c3C(=O)N2c4ccccc4;CC(C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N","InChI=1S/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/m0/s1","","2016-02-15","2017-02-17","2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile","2017-02-22"],["RM2","4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN","C12 H13 N O","Oc1cccc2c1CCC2/N=C/C=C;Oc1cccc2[CH](CCc12)N=CC=C;C=CC=NC1CCc2c1cccc2O","InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,8,11,14H,1,6-7H2/b13-8+/t11-/m1/s1","","2005-11-07","2011-06-04","(1R)-1-[(1E)-prop-2-en-1-ylideneamino]-2,3-dihydro-1H-inden-4-ol",""],["RM3","2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide","C19 H18 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)N(C)C;CN(C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1;CN(C)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C19H18ClN3O/c1-23(2)16-6-7-17-14(10-16)11-21-12-18(17)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide","2023-11-08"],["67U","6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine","C13 H14 Br N5","CC(C)c1c(cn(n1)C)c3nc2c(ncc(c2)Br)n3;CC(C)c1nn(C)cc1c2[nH]c3cc(Br)cnc3n2;CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br","InChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17)","","2016-02-16","2016-12-09","6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine","2016-12-14"],["RM4","beta-L-rhamnopyranose","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1","beta-L-rhamnose; 6-deoxy-beta-L-mannopyranose; L-rhamnose; rhamnose","2008-10-22","2020-07-17","6-deoxy-beta-L-mannopyranose",""],["67V","methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate","C17 H16 N2 O2","COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C;Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC","InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)","","2021-09-10","2022-02-11","methyl 8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole-3-carboxylate","2022-02-16"],["RM5","1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea","C20 H27 Cl N2 O5 S","CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)N[S](=O)(=O)c2occ(c2)C(C)(C)O;CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl","InChI=1S/C20H27ClN2O5S/c1-11(2)15-8-14(21)9-16(12(3)4)18(15)22-19(24)23-29(26,27)17-7-13(10-28-17)20(5,6)25/h7-12,25H,1-6H3,(H2,22,23,24)","","2020-10-09","2021-10-15","1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea","2021-10-20"],["67W","(2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid","C18 H15 N3 O3","n3ccc(c1ccc(cc1)NC(c2ccccc2CC(O)=O)=O)n3;OC(=O)Cc1ccccc1C(=O)Nc2ccc(cc2)c3cc[nH]n3;c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3","InChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23)","","2016-02-16","2016-03-18","(2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid","2016-03-23"],["67X","(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide","C10 H14 N2 O2 S","c12NCC(Cc1cccc2S(=O)(N)=O)C;C[CH]1CNc2c(C1)cccc2[S](N)(=O)=O;CC1Cc2cccc(c2NC1)S(=O)(=O)N","InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m1/s1","","2016-02-16","2016-03-18","(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide","2016-03-23"],["RM6","[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid","C15 H16 N2 O3 S","O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1;OC(=O)C[CH]1C[CH](CNC(=O)c2cc3ccsc3cn2)C1;c1csc2c1cc(nc2)C(=O)NCC3CC(C3)CC(=O)O","InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10-","","2022-06-23","2022-07-01","[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid","2022-07-06"],["RM7","2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide","C20 H29 N5 O S2","C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCCC3)=O)N4CCCCC4;Nc1nc(SCC(=O)NCCN2CCCCC2)nc3sc4CCCCCc4c13;C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1","InChI=1S/C20H29N5OS2/c21-18-17-14-7-3-1-4-8-15(14)28-19(17)24-20(23-18)27-13-16(26)22-9-12-25-10-5-2-6-11-25/h1-13H2,(H,22,26)(H2,21,23,24)","","2020-02-17","2020-05-29","2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide","2020-06-03"],["67Y","2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide","C12 H15 N O2","C2(c1c(cccc1)CCC2)NC(CO)=O;OCC(=O)N[CH]1CCCc2ccccc12;c1ccc2c(c1)CCCC2NC(=O)CO","InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)/t11-/m1/s1","","2016-02-16","2016-03-18","2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide","2016-03-23"],["RM8","2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole","C19 H22 N4","n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4;Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4;Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4","InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3","","2011-07-20","2011-08-19","2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole",""],["67Z","1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea","C22 H28 N4 O4","O=C(N2C(c1c(OC)ccc(OC)c1)CCC2)CNC(=O)NCc3ccc(N)cc3;COc1ccc(OC)c(c1)[CH]2CCCN2C(=O)CNC(=O)NCc3ccc(N)cc3;COc1ccc(c(c1)C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC","InChI=1S/C22H28N4O4/c1-29-17-9-10-20(30-2)18(12-17)19-4-3-11-26(19)21(27)14-25-22(28)24-13-15-5-7-16(23)8-6-15/h5-10,12,19H,3-4,11,13-14,23H2,1-2H3,(H2,24,25,28)/t19-/m1/s1","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea","2014-02-19"],["680","6-METHYLAMINO-5-NITROISOCYTOSINE","C5 H7 N5 O3","O=C1C([N+]([O-])=O)=C(N=C(N)N1)NC;CNC1=C(C(=O)NC(=N1)N)[N+]([O-])=O;CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]","InChI=1S/C5H7N5O3/c1-7-3-2(10(12)13)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)","","2004-07-07","2011-06-04","2-amino-6-(methylamino)-5-nitropyrimidin-4(3H)-one",""],["RM9","(1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid","C10 H8 B F O4","B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O;OB1Oc2c(ccc(F)c2C(O)=O)[CH]3C[CH]13;B1(C2CC2c3ccc(c(c3O1)C(=O)O)F)O","InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1","","2019-11-24","2024-09-27","(1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid","2020-03-25"],["681","2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-1-(METHYLETHYL)-2-HYDROXYETHYL]ACETAMIDE","C23 H30 N6 O4","O=C2C(N)=CN=C(c1ccccc1)N2CC(=O)NC(C(O)c3nnc(o3)C(C)(C)C)C(C)C;CC(C)[CH](NC(=O)CN1C(=O)C(=CN=C1c2ccccc2)N)[CH](O)c3oc(nn3)C(C)(C)C;CC(C)C(C(c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3","InChI=1S/C23H30N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17-18,31H,12,24H2,1-5H3,(H,26,30)/t17-,18-/m0/s1","ONO-6818","2000-10-16","2024-09-27","2-(5-amino-6-oxo-2-phenylpyrimidin-1(6H)-yl)-N-{(1S)-1-[(S)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-2-methylpropyl}acetamide",""],["RMA","N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE","C13 H15 N","C#CCN(C)C2c1ccccc1CC2;CN(CC#C)[CH]1CCc2ccccc12;CN(CC#C)C1CCc2c1cccc2","InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1","N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN","2004-01-15","2021-03-01","(1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine",""],["RMB","N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHYLBENZIMIDAZOLE","C13 H17 N2 O7 P","O=P(O)(O)OCC3OC(n2cnc1cc(ccc12)C)C(O)C3O;Cc1ccc2n(cnc2c1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;Cc1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1","MONO-[3,4-DIHYDROXY-5-(5-METHYL-BENZOIMIDAZOL-1-YL)-TETRAHYDOR-FURAN-2-YLMETHYL] ESTER","2001-07-09","2020-06-17","5-methyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole",""],["682","N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE","C15 H27 N7 O3 S","O=C(N)NC(C(=O)NC(C(O)c1nccs1)CCCNC(=[N@H])N)C(C)C;CC(C)[CH](NC(N)=O)C(=O)N[CH](CCCNC(N)=N)[CH](O)c1sccn1;[H]N=C(N)NCCCC(C(c1nccs1)O)NC(=O)C(C(C)C)NC(=O)N","InChI=1S/C15H27N7O3S/c1-8(2)10(22-15(18)25)12(24)21-9(4-3-5-20-14(16)17)11(23)13-19-6-7-26-13/h6-11,23H,3-5H2,1-2H3,(H,21,24)(H4,16,17,20)(H3,18,22,25)/t9-,10-,11-/m0/s1","","2006-01-10","2024-09-27","N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-N~2~-carbamoyl-L-valinamide",""],["RMC","(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL","C20 H28 N6 O","n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)N(Cc3ccccc3)C;CC[CH](CO)Nc1nc(N(C)Cc2ccccc2)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc2c(c(n1)N(C)Cc3ccccc3)ncn2C(C)C","InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1","N6-METHYL-(R)-ROSCOVITINE; R-2-[6-(BENZYL-METHYL-AMINO)-9-ISOPROPYL-9H-PURIN-2-YLAMINO]-BUTAN-1-OL","2005-01-06","2020-05-27","(2R)-2-({6-[benzyl(methyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)butan-1-ol",""],["683","2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid","C15 H13 N O4","O=C(O)c2c(Nc1ccc(cc1C(=O)O)C)cccc2;Cc1ccc(Nc2ccccc2C(O)=O)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O","InChI=1S/C15H13NO4/c1-9-6-7-13(11(8-9)15(19)20)16-12-5-3-2-4-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)(H,19,20)","","2012-08-17","2013-08-09","2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid","2013-08-14"],["RMD","[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium","C19 H24 N O2 Rh","O=C1N(C(=O)CC1)CCC2%10C7C8C9C2[Rh]789%10456C3CCC6C5CCC34;[Rh]|1|2|3|4|5|6|7(|C8C|1C|2C|3(C|48)CCN9C(=O)CCC9=O)|C%10C|5CCC|6C|7CC%10;C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O","InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-6-8-7-5-3-1;/h1-4H,5-8H2;1-2,7-8H,3-6H2;","","2013-10-18","2024-09-27","[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium","2014-04-09"],["684","4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid","C25 H23 N7 O3","O=C(O)CCCOc3cc2C=Cc1c(cccc1)N(c2cc3)Cc4nc5c(nc4)nc(nc5N)N;Nc1nc(N)c2nc(CN3c4ccccc4C=Cc5cc(OCCCC(O)=O)ccc35)cnc2n1;c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O","InChI=1S/C25H23N7O3/c26-23-22-24(31-25(27)30-23)28-13-17(29-22)14-32-19-5-2-1-4-15(19)7-8-16-12-18(9-10-20(16)32)35-11-3-6-21(33)34/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,33,34)(H4,26,27,28,30,31)","PT684","2011-06-02","2020-06-17","4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid",""],["685","2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide","C20 H23 N5 O2 S","O=C(c1sc(nc1C)c2nc(ncc2)Nc3cc(cc(c3)C)C)NC(C)CO;C[CH](CO)NC(=O)c1sc(nc1C)c2ccnc(Nc3cc(C)cc(C)c3)n2;Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)NC(C)CO)C)C","InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m0/s1","2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide","2008-10-07","2020-06-17","2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide",""],["RME","N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine","C17 H22 N6 O3","Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+]([O-])=O)c1;Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-]","InChI=1S/C17H22N6O3/c1-13-4-5-18-16(12-13)20-15-3-2-14(23(24)25)17(21-15)19-6-7-22-8-10-26-11-9-22/h2-5,12H,6-11H2,1H3,(H2,18,19,20,21)","~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine","2011-07-20","2021-02-16","~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine",""],["686","N-({(1S)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid","C60 H59 Br N8 O14","O=C(O)C(NC(=O)NC(C(=O)O)CCCCN(C(=O)c1ccc(nc1)N8CCN(c2ccc(cc2)N7CCN(C(=O)c6cc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c(C(=O)O)cc6)CC7)CC8)Cc9ccc(Br)cc9)CCC(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCN(Cc1ccc(Br)cc1)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(C(O)=O)c(c6)C7=C8C=CC(=O)C=C8Oc9cc(O)ccc79)C(O)=O)C(O)=O;c1cc(ccc1CN(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br","InChI=1S/C60H59BrN8O14/c61-39-8-4-36(5-9-39)35-69(22-2-1-3-48(58(78)79)63-60(82)64-49(59(80)81)19-21-53(72)73)56(75)38-7-20-52(62-34-38)67-27-23-65(24-28-67)40-10-12-41(13-11-40)66-25-29-68(30-26-66)55(74)37-6-16-44(57(76)77)47(31-37)54-45-17-14-42(70)32-50(45)83-51-33-43(71)15-18-46(51)54/h4-18,20,31-34,48-49,70H,1-3,19,21-30,35H2,(H,72,73)(H,76,77)(H,78,79)(H,80,81)(H2,63,64,82)/t48-,49-/m0/s1","","2014-12-02","2015-10-09","N-({(1S)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid","2015-10-14"],["RMF","~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine","C21 H20 Cl2 N10 O","Cn1cc(cn1)n2cnc3c(NCc4[nH]c5cc(Cl)c(Cl)cc5n4)nc(nc23)N6CCOCC6;Cn1cc(cn1)n2cnc3c2nc(nc3NCc4[nH]c5cc(c(cc5n4)Cl)Cl)N6CCOCC6","InChI=1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1H3,(H,27,28)(H,24,29,30)","","2022-12-05","2023-09-08","~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine","2023-09-13"],["687","N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE","C31 H34 N3 O8 P","O=Cc1cc(ccc1OP(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(O[P](O)(O)=O)c(C=O)c1)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1","RU84687","2003-06-20","2024-09-27","Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-O-phosphono-L-tyrosinamide",""],["RMG","2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine","C19 H28 N4 S2","C1CCCCN1CCCSc2nc(N)c3c(n2)sc4c3CCCCC4;Nc1nc(SCCCN2CCCCC2)nc3sc4CCCCCc4c13;C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1","InChI=1S/C19H28N4S2/c20-17-16-14-8-3-1-4-9-15(14)25-18(16)22-19(21-17)24-13-7-12-23-10-5-2-6-11-23/h1-13H2,(H2,20,21,22)","","2020-02-17","2020-05-29","2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine","2020-06-03"],["RMI","2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide","C21 H22 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OCCN(C)C;CN(C)CCOc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1;CN(C)CCOc1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)","","2023-08-22","2023-11-03","2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide","2023-11-08"],["688","2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID","C22 H17 N5 O5","O=C(O)c2cc(nc(Oc1cc(C(=[N@H])N)ccc1O)c2)Oc3cccc(c3)c4nccn4;NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)c4[nH]ccn4)n2)C(O)=O)c1;c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4","InChI=1S/C22H17N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-11,28H,(H3,23,24)(H,25,26)(H,29,30)","ZK-806688","1999-07-08","2021-03-01","2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid",""],["RMJ","2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide","C18 H25 N5 O S2","C(CNC(CSc1nc(N)c2c(n1)sc3c2CCC3)=O)N4CCCCC4;Nc1nc(SCC(=O)NCCN2CCCCC2)nc3sc4CCCc4c13;C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N","InChI=1S/C18H25N5OS2/c19-16-15-12-5-4-6-13(12)26-17(15)22-18(21-16)25-11-14(24)20-7-10-23-8-2-1-3-9-23/h1-11H2,(H,20,24)(H2,19,21,22)","","2020-02-17","2020-05-29","2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide","2020-06-03"],["689","4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","C18 H24 O3","Oc1ccc(cc1)C2OCC3(C(C=C(C2C3C)C)C)CO;C[CH]1C=C(C)[CH]2[CH](C)[C]1(CO)CO[CH]2c3ccc(O)cc3;CC1C=C(C2C(C1(COC2c3ccc(cc3)O)CO)C)C","InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m0/s1","","2005-05-16","2011-06-04","4-[(1S,2S,5S,6S,9S)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol",""],["RMK","~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide","C27 H34 N6 O2","CC(C)n1nccc1C(=O)N[CH](C(C2CC2)C3CC3)C(=O)Nc4ccc(cc4)c5c(C)[nH]nc5C;Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)C(C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C","InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1","","2020-10-09","2022-04-15","~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide","2022-04-20"],["68A","3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid","C9 H8 N2 O3 S","c21N=CN(C(c1c(C)c(C(O)=O)s2)=O)C;CN1C=Nc2sc(C(O)=O)c(C)c2C1=O;Cc1c2c(sc1C(=O)O)N=CN(C2=O)C","InChI=1S/C9H8N2O3S/c1-4-5-7(15-6(4)9(13)14)10-3-11(2)8(5)12/h3H,1-2H3,(H,13,14)","","2016-02-16","2016-03-18","3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid","2016-03-23"],["RML","(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","C40 H26 N12 Ru","n1c3c6c5c4c(c3nc2c1cc(c(c2)C)C)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13;[Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc(C)c(C)cc8nc57)(|n9ccnc%10ccc%11nccn|2c%11c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%13","InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3-10H,1-2H3;2*1-6H;/q;;;+2","Lambda-[Ru(1,4,5,8-tetraazaphenanthrene)2(11,12-dimethyl-dipyridophenazine)]2+","2012-03-07","2021-03-13","(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","2013-03-06"],["68B","N-(pyrimidin-5-yl)benzamide","C11 H9 N3 O","N(c1cncnc1)C(c2ccccc2)=O;O=C(Nc1cncnc1)c2ccccc2;c1ccc(cc1)C(=O)Nc2cncnc2","InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)","","2016-02-16","2016-03-18","N-(pyrimidin-5-yl)benzamide","2016-03-23"],["RMM","(2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide","C13 H10 N4 O","N#C/C(C(=O)N)=Cc1cccc(c1)c2cnnc2;NC(=O)C(=Cc1cccc(c1)c2c[nH]nc2)C#N;c1cc(cc(c1)c2c[nH]nc2)C=C(C#N)C(=O)N","InChI=1S/C13H10N4O/c14-6-11(13(15)18)5-9-2-1-3-10(4-9)12-7-16-17-8-12/h1-5,7-8H,(H2,15,18)(H,16,17)/b11-5+","","2013-09-09","2024-09-27","(2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide","2014-10-22"],["68C","5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide","C10 H7 N5 O2 S2","c31N=CNC(c1c(C)c(C(=O)Nc2scnn2)s3)=O;Cc1c(sc2N=CNC(=O)c12)C(=O)Nc3scnn3;Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O","InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)","","2016-02-16","2016-03-18","5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide","2016-03-23"],["68D","{2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid","C16 H13 N3 O4 S","c21sc(c(C)c1C(NC=N2)=O)C(Nc3ccccc3CC(O)=O)=O;Cc1c(sc2N=CNC(=O)c12)C(=O)Nc3ccccc3CC(O)=O;Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O","InChI=1S/C16H13N3O4S/c1-8-12-14(22)17-7-18-16(12)24-13(8)15(23)19-10-5-3-2-4-9(10)6-11(20)21/h2-5,7H,6H2,1H3,(H,19,23)(H,20,21)(H,17,18,22)","","2016-02-16","2016-03-18","{2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid","2016-03-23"],["RMN","(R)-MANDELIC ACID","C8 H8 O3","O=C(O)C(O)c1ccccc1;O[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)O","InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1","","1999-07-08","2011-06-04","(2R)-hydroxy(phenyl)ethanoic acid",""],["RMO","[arsenothionito(2-)-kappa~2~O,S](oxo)molybdenum","As H Mo O3 S","O=[Mo]1O[As](O)S1;O[As]1O[Mo](=O)S1;O[As]1O[Mo](=O)S1","InChI=1S/AsHO2S.Mo.O/c2-1(3)4;;/h2H;;/q-2;+2;","","2011-04-22","2011-07-22","[arsenothionito(2-)-kappa~2~O,S](oxo)molybdenum",""],["68E","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide","C25 H20 N2 O5 S2","c3(cc(C)c(C(=O)NS(=O)(c1cccc2cccnc12)=O)cc3c4sc(cc4)C#CCO)OC;COc1cc(C)c(cc1c2sc(cc2)C#CCO)C(=O)N[S](=O)(=O)c3cccc4cccnc34;Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC","InChI=1S/C25H20N2O5S2/c1-16-14-21(32-2)20(22-11-10-18(33-22)8-5-13-28)15-19(16)25(29)27-34(30,31)23-9-3-6-17-7-4-12-26-24(17)23/h3-4,6-7,9-12,14-15,28H,13H2,1-2H3,(H,27,29)","","2016-02-17","2016-07-01","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide","2016-07-06"],["RMP","2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLPHOSPHONATE","C11 H16 N5 O5 P","O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)CC3O)C;C[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23;CP(=O)(O)OCC1C(CC(O1)n2cnc3c2ncnc3N)O","InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1","","2001-10-09","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine",""],["68F","(2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol)","C14 H28 N2 O4","OC1C(NC(C1O)C)CCCCC2NC(C)C(O)C2O;C[CH]1N[CH](CCCC[CH]2N[CH](C)[CH](O)[CH]2O)[CH](O)[CH]1O;CC1C(C(C(N1)CCCCC2C(C(C(N2)C)O)O)O)O","InChI=1S/C14H28N2O4/c1-7-11(17)13(19)9(15-7)5-3-4-6-10-14(20)12(18)8(2)16-10/h7-20H,3-6H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-/m0/s1","","2016-02-17","2016-02-26","(2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol)","2016-03-02"],["RMQ","(3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid","C41 H50 Cl F2 N5 O9","CC(C)[CH](NC(=O)COCCNC(=O)OC(C)(C)C)C(=O)N[CH](CC(O)=O)Cc1ccc(NC(=O)[CH](Cc2ccccc2Cl)NC(=O)C(F)(F)c3ccccc3)cc1;CC(C)C(C(=O)NC(Cc1ccc(cc1)NC(=O)C(Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C","InChI=1S/C41H50ClF2N5O9/c1-25(2)35(49-33(50)24-57-20-19-45-39(56)58-40(3,4)5)37(54)47-30(23-34(51)52)21-26-15-17-29(18-16-26)46-36(53)32(22-27-11-9-10-14-31(27)42)48-38(55)41(43,44)28-12-7-6-8-13-28/h6-18,25,30,32,35H,19-24H2,1-5H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,49,50)(H,51,52)/t30-,32+,35+/m1/s1","","2020-10-09","2022-04-15","(3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid","2022-04-20"],["68G","13'2-hydroxyl-Chlorophyll a","C55 H72 Mg N4 O6","C(C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC2=C(C)C1=CC9=N8[Mg]56N1C2=C3C(C(=O)OC)(O)C(=O)C4=C(C)C(N5=C34)=Cc7n6c(c(c7CC)C)C=C8C(=C9C)CC;CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=C2)C(=C(CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C5=C6C7=NC(=Cc4c(CC)c3C)C(=C7C(=O)[C]6(O)C(=O)OC)C)C;CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6C(C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C","InChI=1S/C55H73N4O6.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h26,28-33,63H,13-25,27H2,1-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,51-50+;/t32-,33-,55+;/m1./s1","","2016-02-17","2019-05-22","[methyl 9,14-diethyl-21-hydroxy-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium","2016-05-04"],["68H","SALBUTAMOL","C13 H21 N O3","CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1;CC(C)(C)NCC(c1ccc(c(c1)CO)O)O","InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1","","2010-11-30","2011-06-04","4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol",""],["RMR","3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide","C16 H19 N O4 S","COc1cc(cc(OC)c1OC)C(=O)NCCc2sccc2;COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2","InChI=1S/C16H19NO4S/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-7-6-12-5-4-8-22-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)","","2016-10-18","2017-06-30","3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide","2017-07-05"],["68J","N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide","C37 H39 F N4 O2","CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F;CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(F)cc5;CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F","InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44)","","2016-02-17","2016-03-25","N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide","2016-03-30"],["RMS","2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine","C17 H24 N4 S2","C4N(CCCSc1nc(N)c2c3c(sc2n1)CCC3)CCCC4;Nc1nc(SCCCN2CCCCC2)nc3sc4CCCc4c13;C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N","InChI=1S/C17H24N4S2/c18-15-14-12-6-4-7-13(12)23-16(14)20-17(19-15)22-11-5-10-21-8-2-1-3-9-21/h1-11H2,(H2,18,19,20)","","2020-02-17","2020-05-29","2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine","2020-06-03"],["RMT","(3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid","C15 H17 N2 O9 P","n1c(c(O)c(c(c1)COP(O)(O)=O)CN=C2C(C=C(C(O)=O)C2)C(O)=O)C;Cc1ncc(CO[P](O)(O)=O)c(CN=C2CC(=C[CH]2C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CC(=CC2C(=O)O)C(=O)O)O","InChI=1S/C15H17N2O9P/c1-7-13(18)11(9(4-16-7)6-26-27(23,24)25)5-17-12-3-8(14(19)20)2-10(12)15(21)22/h2,4,10,18H,3,5-6H2,1H3,(H,19,20)(H,21,22)(H2,23,24,25)/b17-12+/t10-/m1/s1","","2017-10-02","2018-02-09","(3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid","2018-02-14"],["68K","N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide","C38 H40 F N5 O2","CC(CCNC(CCc1c(N)nc2c(c1)cc(cc2)c3c(cccc3)CCc4ccc(cn4)NC(c5ccc(cc5)F)=O)=O)(C)C;CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(NC(=O)c5ccc(F)cc5)cn4;CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F","InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46)","","2016-02-17","2016-03-25","N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide","2016-03-30"],["RMU","4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide","C12 H9 Cl N4 O4 S","O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O;Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c2)C#N)C(N)=O;Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)Cl)C#N","InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18)","","2022-06-23","2022-07-01","4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide","2022-07-06"],["68L","N-[(5S)-2'-amino-3-(5,6-dihydro-2H-pyran-3-yl)-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide","C25 H20 Cl N5 O4","C1OCCC=C1c2ncc3Oc5c(C4(c3c2)COC(=N4)N)cc(cc5)NC(=O)c6ccc(cn6)Cl;NC1=N[C]2(CO1)c3cc(NC(=O)c4ccc(Cl)cn4)ccc3Oc5cnc(cc25)C6=CCCOC6;c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)C4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6","InChI=1S/C25H20ClN5O4/c26-15-3-5-19(28-10-15)23(32)30-16-4-6-21-17(8-16)25(13-34-24(27)31-25)18-9-20(29-11-22(18)35-21)14-2-1-7-33-12-14/h2-6,8-11H,1,7,12-13H2,(H2,27,31)(H,30,32)/t25-/m0/s1","","2016-02-17","2016-03-25","N-[(5S)-2'-amino-3-(5,6-dihydro-2H-pyran-3-yl)-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide","2016-03-30"],["68M","(2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide","C25 H32 N4 O","CC(C)(C)CCNC(=O)C(C)Cc1cc2cc(ccc2nc1N)c3c(cccn3)C;C[CH](Cc1cc2cc(ccc2nc1N)c3ncccc3C)C(=O)NCCC(C)(C)C;Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)CC(C)C(=O)NCCC(C)(C)C","InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1","","2016-02-17","2016-03-25","(2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide","2016-03-30"],["RMV","2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide","C17 H25 N5 O S2","C(C)N(CCNC(CSc1nc(c2c(n1)sc3c2CCC3)N)=O)CC;CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCc3sc2n1;CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N","InChI=1S/C17H25N5OS2/c1-3-22(4-2)9-8-19-13(23)10-24-17-20-15(18)14-11-6-5-7-12(11)25-16(14)21-17/h3-10H2,1-2H3,(H,19,23)(H2,18,20,21)","","2020-02-17","2020-05-29","2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide","2020-06-03"],["RMW","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","C39 H52 N8 O16 P3 S","C[n+]1ccc(C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)c5cccc6ccccc56)cc1;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O","InChI=1S/C39H51N8O16P3S/c1-39(2,21-60-66(57,58)63-65(55,56)59-20-28-33(62-64(52,53)54)32(49)38(61-28)47-23-45-31-35(40)43-22-44-36(31)47)34(50)37(51)42-14-11-30(48)41-15-18-67-29(19-24-12-16-46(3)17-13-24)27-10-6-8-25-7-4-5-9-26(25)27/h4-10,12-13,16-17,22-23,28-29,32-34,38,49-50H,11,14-15,18-21H2,1-3H3,(H7-,40,41,42,43,44,48,51,52,53,54,55,56,57,58)/p+1/t28-,29-,32-,33-,34+,38-/m1/s1","","2020-10-09","2020-10-23","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-1-ium-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","2020-10-28"],["68N","[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol","C10 H13 N O","c1c2c(ccc1)C(NCC2)CO;OC[CH]1NCCc2ccccc12;c1ccc2c(c1)CCNC2CO","InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1","","2016-02-17","2016-06-24","[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol","2016-06-29"],["RMX","1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide","C26 H30 N10 O2 S","CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(NCc5n(C)nc(C)c5[S](N)(=O)=O)nc12;Cc1c(c(n(n1)C)CNc2nc(c3c(n2)n(cn3)C(C)C)NCc4ccc(cc4)c5ccccn5)S(=O)(=O)N","InChI=1S/C26H30N10O2S/c1-16(2)36-15-31-22-24(29-13-18-8-10-19(11-9-18)20-7-5-6-12-28-20)32-26(33-25(22)36)30-14-21-23(39(27,37)38)17(3)34-35(21)4/h5-12,15-16H,13-14H2,1-4H3,(H2,27,37,38)(H2,29,30,32,33)","","2022-12-05","2023-09-08","1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide","2023-09-13"],["68O","5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol","C14 H12 F2 O2","Fc1c(cccc1)Oc2cc(F)c(CC)cc2O;CCc1cc(O)c(Oc2ccccc2F)cc1F;CCc1cc(c(cc1F)Oc2ccccc2F)O","InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3","","2016-02-17","2017-02-17","5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol","2017-02-22"],["68P","(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile","C20 H21 F N2 O","c1(ccc(cc1)F)C3(OCc2c3ccc(C#N)c2)CCCN(C)C;CN(C)CCC[C]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3;CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F","InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1","","2016-02-17","2016-04-08","(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile","2016-04-13"],["RMY","ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside","C19 H33 N O13 S","O=C(O)C2(OC1C(O)C(SCC)OC(CO)C1O)OC(C(NC(=O)C)C(O)C2)C(O)C(O)CO;CCS[CH]1O[CH](CO)[CH](O)[CH](O[C]2(C[CH](O)[CH](NC(C)=O)[CH](O2)[CH](O)[CH](O)CO)C(O)=O)[CH]1O;CCSC1C(C(C(C(O1)CO)O)OC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O","InChI=1S/C19H33NO13S/c1-3-34-17-14(28)16(13(27)10(6-22)31-17)33-19(18(29)30)4-8(24)11(20-7(2)23)15(32-19)12(26)9(25)5-21/h8-17,21-22,24-28H,3-6H2,1-2H3,(H,20,23)(H,29,30)/t8-,9+,10+,11+,12+,13-,14+,15+,16-,17-,19-/m0/s1","alpha-2,3-sialyl (1-thioethyl)galactose","2011-04-13","2021-03-13","ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside",""],["68Q","3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid","C14 H10 Cl2 N2 O3","OC(=O)c1cccc(c1)NC(=O)Nc2cc(Cl)c(cc2)Cl;OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1;c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O","InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)","","2016-02-17","2016-08-12","3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid","2016-08-17"],["RMZ","(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one","C22 H27 N3 O","Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2;Cc1ccc(cc1C)N2CCN(CC2)CCC3c4ccccc4C(=O)N3","InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1","3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one","2020-10-09","2020-11-27","(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one","2020-12-02"],["RN0","4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate","C18 H15 Cl N2 O4 S","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OS(C)(=O)=O;C[S](=O)(=O)Oc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CS(=O)(=O)Oc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate","2023-11-08"],["68R","2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one","C25 H19 Cl N8 O","C2(N(c1ccccc1)C(=Nc3cccc(Cl)c23)C(C)Nc4c(c(N)ncn4)C#Cc5cnnc5)=O;C[CH](Nc1ncnc(N)c1C#Cc2c[nH]nc2)C3=Nc4cccc(Cl)c4C(=O)N3c5ccccc5;CC(C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5","InChI=1S/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/m0/s1","","2016-02-17","2017-02-17","2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one","2017-02-22"],["RN1","(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol","C13 H14 O3","OCC(O)COc2cccc1ccccc12;OC[CH](O)COc1cccc2ccccc12;c1ccc2c(c1)cccc2OCC(CO)O","InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1","","2013-01-24","2014-02-07","(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol","2014-02-12"],["68T","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide","C23 H21 N O7 S2","c1(cc(OC)c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(c3cccc(OC)c3)=O)OC;COc1cccc(c1)[S](=O)(=O)NC(=O)c2cc(c(OC)cc2OC)c3sc(cc3)C#CCO;COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO","InChI=1S/C23H21NO7S2/c1-29-15-6-4-8-17(12-15)33(27,28)24-23(26)19-13-18(20(30-2)14-21(19)31-3)22-10-9-16(32-22)7-5-11-25/h4,6,8-10,12-14,25H,11H2,1-3H3,(H,24,26)","","2016-02-18","2016-07-01","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide","2016-07-06"],["RN2","Calpeptin","C20 H32 N2 O4","CCCC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1;CCCCC(CO)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C20H32N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,15,17-18,23H,4-5,11-14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1","","2020-10-09","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-1-oxidanylhexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate","2020-10-28"],["68U","N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide","C18 H16 N4 O3 S","CNC(=O)c1ccc4c(n1)c(c3cc2CS(=O)(N(c2cc3)C)=O)cnc4;CNC(=O)c1ccc2cncc(c3ccc4N(C)[S](=O)(=O)Cc4c3)c2n1;CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C","InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23)","","2016-02-18","2016-04-08","N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide","2016-04-13"],["68V","3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid","C14 H11 Br N2 O3","O=C(c1cc(ccc1)NC(Nc2ccc(Br)cc2)=O)O;OC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2)c1;c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O","InChI=1S/C14H11BrN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)","","2016-02-18","2016-08-12","3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid","2016-08-17"],["RN3","methyl {(6S)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate","C43 H45 Cl N8 O9 S","n6c(C)n7c4c(c(c(C(=O)NCCCCCCCCNC(=O)COc1cccc2c1C(=O)N(C2=O)C3C(=O)NC(CC3)=O)s4)C)C(c5ccc(cc5)Cl)=NC(c7n6)CC(OC)=O;COC(=O)C[CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(sc3n4c(C)nnc14)C(=O)NCCCCCCCCNC(=O)COc5cccc6C(=O)N([CH]7CCC(=O)NC7=O)C(=O)c56;Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)C5CCC(=O)NC5=O)-n6c(nnc6C(N=C2c7ccc(cc7)Cl)CC(=O)OC)C","InChI=1S/C43H45ClN8O9S/c1-23-34-36(25-13-15-26(44)16-14-25)47-28(21-33(55)60-3)38-50-49-24(2)51(38)43(34)62-37(23)40(57)46-20-9-7-5-4-6-8-19-45-32(54)22-61-30-12-10-11-27-35(30)42(59)52(41(27)58)29-17-18-31(53)48-39(29)56/h10-16,28-29H,4-9,17-22H2,1-3H3,(H,45,54)(H,46,57)(H,48,53,56)/t28-,29-/m0/s1","","2017-11-17","2018-05-25","methyl {(6S)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate","2018-05-30"],["RN4","(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","C24 H30 N4 S2","C1CCCCN1CCCSc2nc(N)c5c(n2)sc3c5CCC(C3)c4ccccc4;Nc1nc(SCCCN2CCCCC2)nc3sc4C[CH](CCc4c13)c5ccccc5;c1ccc(cc1)C2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2","InChI=1S/C24H30N4S2/c25-22-21-19-11-10-18(17-8-3-1-4-9-17)16-20(19)30-23(21)27-24(26-22)29-15-7-14-28-12-5-2-6-13-28/h1,3-4,8-9,18H,2,5-7,10-16H2,(H2,25,26,27)/t18-/m0/s1","","2020-02-17","2020-05-29","(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","2020-06-03"],["68W","3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid","C20 H16 N2 O3","O=C(O)c1cc(ccc1)NC(Nc2cc(ccc2)c3ccccc3)=O;OC(=O)c1cccc(NC(=O)Nc2cccc(c2)c3ccccc3)c1;c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)","","2016-02-18","2016-08-12","3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid","2016-08-17"],["RN5","4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid","C27 H24 N2 O3 S","C[CH]1C[CH](Nc2ccc3ccsc3c2)c4cc(ccc4N1C(C)=O)c5ccc(cc5)C(O)=O;CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4","InChI=1S/C27H24N2O3S/c1-16-13-24(28-22-9-7-19-11-12-33-26(19)15-22)23-14-21(8-10-25(23)29(16)17(2)30)18-3-5-20(6-4-18)27(31)32/h3-12,14-16,24,28H,13H2,1-2H3,(H,31,32)/t16-,24+/m0/s1","4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid","2020-10-09","2021-10-15","4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid","2021-10-20"],["68X","(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide","C22 H39 N O6","CCCCCCC=CCCCCCC=CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CCCCCCC=CCCCCCC=CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C22H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)23-19-21(27)20(26)17(16-24)29-22(19)28/h7-8,14-15,17,19-22,24,26-28H,2-6,9-13,16H2,1H3,(H,23,25)/b8-7+,15-14-/t17-,19-,20+,21+,22+/m0/s1","","2023-01-12","2024-05-31","(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide","2024-06-05"],["68Y","(4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C18 H20 N2 O2","c2c1c(NC(CC(N1)C)=O)ccc2OC(C)c3ccccc3;C[CH]1CC(=O)Nc2ccc(O[CH](C)c3ccccc3)cc2N1;CC1CC(=O)Nc2ccc(cc2N1)OC(C)c3ccccc3","InChI=1S/C18H20N2O2/c1-12-10-18(21)20-16-9-8-15(11-17(16)19-12)22-13(2)14-6-4-3-5-7-14/h3-9,11-13,19H,10H2,1-2H3,(H,20,21)/t12-,13-/m1/s1","","2016-02-19","2016-04-15","(4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["RN6","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide","C42 H45 Cl N8 O7 S","n1c(C)n5c(n1)C(CC(NCCCCCCCCNC(=O)COc3cccc4C(=O)N(C2C(=O)NC(CC2)=O)C(c34)=O)=O)N=C(c6c5sc(C)c6C)c7ccc(cc7)Cl;Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCCCCCNC(=O)COc4cccc5C(=O)N([CH]6CCC(=O)NC6=O)C(=O)c45)N=C(c7ccc(Cl)cc7)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O)c7ccc(cc7)Cl)C","InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30-/m0/s1","","2017-11-22","2018-05-25","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide","2018-05-30"],["68Z","1R,2S,4R)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate","C11 H16 N5 O7 P","O=P(O)(O)OCC3CC(N2C=1N=C(NC(=O)C=1NC2=O)N)CC3O;NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C3)C(=O)N1;C1C(CC(C1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O","InChI=1S/C11H16N5O7P/c12-10-14-8-7(9(18)15-10)13-11(19)16(8)5-1-4(6(17)2-5)3-23-24(20,21)22/h4-6,17H,1-3H2,(H,13,19)(H2,20,21,22)(H3,12,14,15,18)/t4-,5-,6+/m1/s1","","2013-12-15","2014-09-05","[(1R,2S,4R)-4-(2-amino-6,8-dioxo-1,6,7,8-tetrahydro-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate","2014-06-04"],["RN7","2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide","C18 H25 N5 O2 S2","C3Cc2c1c(N)nc(nc1sc2CC3)SCC(NCCN4CCOCC4)=O;Nc1nc(SCC(=O)NCCN2CCOCC2)nc3sc4CCCCc4c13;C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1","InChI=1S/C18H25N5O2S2/c19-16-15-12-3-1-2-4-13(12)27-17(15)22-18(21-16)26-11-14(24)20-5-6-23-7-9-25-10-8-23/h1-11H2,(H,20,24)(H2,19,21,22)","","2020-02-17","2020-05-29","2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide","2020-06-03"],["690","5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide","C29 H28 B F N2 O6 S","O=S(=O)(N(c3c(cc1c(oc(c1C(=O)NC)c2ccc(F)cc2)c3)C4CC4)CCC6OB(O)c5ccccc56)C;CNC(=O)c1c(oc2cc(N(CC[CH]3OB(O)c4ccccc34)[S](C)(=O)=O)c(cc12)C5CC5)c6ccc(F)cc6;B1(c2ccccc2C(O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O","InChI=1S/C29H28BFN2O6S/c1-32-29(34)27-22-15-21(17-7-8-17)24(16-26(22)38-28(27)18-9-11-19(31)12-10-18)33(40(2,36)37)14-13-25-20-5-3-4-6-23(20)30(35)39-25/h3-6,9-12,15-17,25,35H,7-8,13-14H2,1-2H3,(H,32,34)/t25-/m1/s1","","2013-04-26","2013-05-03","5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide","2013-05-08"],["RN8","3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)","C22 H16 N2 O4 S2","N#Cc1c(c(sc1CC)C(=O)O)c3ccc(c2c(C#N)c(sc2C(=O)O)CC)cc3;CCc1sc(C(O)=O)c(c2ccc(cc2)c3c(sc(CC)c3C#N)C(O)=O)c1C#N;CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N","InChI=1S/C22H16N2O4S2/c1-3-15-13(9-23)17(19(29-15)21(25)26)11-5-7-12(8-6-11)18-14(10-24)16(4-2)30-20(18)22(27)28/h5-8H,3-4H2,1-2H3,(H,25,26)(H,27,28)","","2011-04-26","2011-06-04","3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)",""],["RN9","3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide","C25 H23 Cl N4 O5","Cc1ccc(NC(=O)CCc2cccc(NC3=CC(=O)N([CH]4CCC(=O)NC4=O)C3=O)c2)cc1Cl;Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)C4CCC(=O)NC4=O","InChI=1S/C25H23ClN4O5/c1-14-5-7-17(12-18(14)26)28-21(31)9-6-15-3-2-4-16(11-15)27-19-13-23(33)30(25(19)35)20-8-10-22(32)29-24(20)34/h2-5,7,11-13,20,27H,6,8-10H2,1H3,(H,28,31)(H,29,32,34)/t20-/m0/s1","","2021-02-12","2021-05-28","3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide","2021-06-02"],["691","N-(quinolin-3-yl)acetamide","C11 H10 N2 O","O=C(C)Nc1cnc2c(c1)cccc2;CC(=O)Nc1cnc2ccccc2c1;CC(=O)Nc1cc2ccccc2nc1","InChI=1S/C11H10N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3,(H,13,14)","","2015-03-23","2015-08-07","N-(quinolin-3-yl)acetamide","2015-08-12"],["RNA","4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE","C16 H14 N2 O4 S2","O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C;Cc1oc(cc1)C=C2SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3;Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2","InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-","(Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE","2006-08-02","2020-06-17","4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide",""],["692","N-methyl-1-(2-thiophen-2-ylphenyl)methanamine","C12 H13 N S","s2c(c1c(cccc1)CNC)ccc2;CNCc1ccccc1c2sccc2;CNCc1ccccc1c2cccs2","InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3","","2009-01-20","2011-06-04","N-methyl-1-(2-thiophen-2-ylphenyl)methanamine",""],["693","2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE","C24 H17 F N4 O5","[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3F)c4;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(cc(c3[O-])c4ccccc4F)[CH](CC([O-])=O)C([O-])=O;c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)C(CC(=O)[O-])C(=O)[O-])F","InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1","CRA_17693","2003-03-14","2020-06-17","(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-fluoro-6-oxidobiphenyl-3-yl)butanedioate",""],["RNB","3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde","C18 H23 Cl O3","Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C)C=O)C;CC(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C)O)C=O","InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+","Colletochlorin B","2013-01-31","2020-06-17","3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde","2013-03-13"],["RNC","[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone","C11 H12 N6 O3","CNc1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1;CNc1cnc(cn1)C(=O)N2CC(C2)c3noc(O)n3;CNc1cnc(cn1)C(=O)N2CC(C2)c3nc(on3)O","InChI=1S/C11H12N6O3/c1-12-8-3-13-7(2-14-8)10(18)17-4-6(5-17)9-15-11(19)20-16-9/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16,19)","","2022-06-23","2022-07-01","[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone","2022-07-06"],["694","4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID","C13 H9 Br O6 S","O=C(O)c2sc(c1ccc(O)cc1)c(Br)c2OCC(=O)O;OC(=O)COc1c(Br)c(sc1C(O)=O)c2ccc(O)cc2;c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O","InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)","","2006-05-30","2011-06-04","4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid",""],["695","N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide","C15 H18 N2 O3 S","O=S(=O)(NC)c2ccc1c(c(ccc1)CCNC(=O)C)c2;CN[S](=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1;CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC","InChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)","","2010-09-22","2011-06-04","N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide",""],["RND","N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide","C25 H29 N5 O","O=C(NC3CCN(Cc1cnc2ccccc12)CC3)C(N)Cc5c4ccccc4nc5;N[CH](Cc1c[nH]c2ccccc12)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N","InChI=1S/C25H29N5O/c26-22(13-17-14-27-23-7-3-1-5-20(17)23)25(31)29-19-9-11-30(12-10-19)16-18-15-28-24-8-4-2-6-21(18)24/h1-8,14-15,19,22,27-28H,9-13,16,26H2,(H,29,31)/t22-/m0/s1","","2013-12-25","2014-03-07","N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide","2014-03-12"],["RNE","(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine","C20 H31 N","CC(=CCN)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCN)C)C","InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/b9-6+,12-11+,16-8+,17-13+","","2016-01-05","2016-02-26","(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine","2016-03-02"],["696","3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE","C21 H17 N3 O","[O-]c4c(c1ccccc1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cccc(c3[O-])c4ccccc4;c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N","InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)","CRA_8696","2003-03-14","2021-03-01","3-{5-[amino(iminio)methyl]-1H-indol-2-yl}biphenyl-2-olate",""],["RNF","(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C25 H30 N6 O","CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccc3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccc4","InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1","","2022-12-05","2023-09-08","(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["697","5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE","C15 H9 N O3","N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2;Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2;c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O","InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H","","2004-08-17","2011-06-04","5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile",""],["698","(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID","C24 H30 N2 O5 S","O=C(O)C3CC(N(C(=O)c1ccc(cc1)C(C)(C)C)C3c2nccs2)(C(=O)O)CC(C)C;CC(C)C[C]1(C[CH]([CH](N1C(=O)c2ccc(cc2)C(C)(C)C)c3sccn3)C(O)=O)C(O)=O;CC(C)CC1(CC(C(N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O","InChI=1S/C24H30N2O5S/c1-14(2)12-24(22(30)31)13-17(21(28)29)18(19-25-10-11-32-19)26(24)20(27)15-6-8-16(9-7-15)23(3,4)5/h6-11,14,17-18H,12-13H2,1-5H3,(H,28,29)(H,30,31)/t17-,18+,24-/m0/s1","","2006-12-18","2011-06-04","(2S,4S,5R)-1-[(4-tert-butylphenyl)carbonyl]-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid",""],["RNG","(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT","C11 H16 N2 O4","O=C1N2N(C(=O)CCC1)C(CCC2)CC=O;OC(=O)C[CH]1CCCN2N1C(=O)CCCC2=O;C1CC(N2C(=O)CCCC(=O)N2C1)CC(=O)O","InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1","FUSED RING FRAGMENT OF INHIBITOR","1999-07-08","2024-09-27","[(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde",""],["RNH","(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide","C16 H32 N2 O4","O=C(NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO;CCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO;CCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O","InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1","N-heptylpantothenamide","2011-07-05","2021-03-01","(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide",""],["699","(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID","C22 H22 F3 N O5 S","FC(F)(F)c1ccc(cc1)C(=O)N2C(C(=O)O)(CC(C(=O)O)C2c3sccc3)CC(C)C;CC(C)C[C]1(C[CH]([CH](N1C(=O)c2ccc(cc2)C(F)(F)F)c3sccc3)C(O)=O)C(O)=O;CC(C)CC1(CC(C(N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O","InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1","","2006-12-18","2011-06-04","(2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-yl-1-{[4-(trifluoromethyl)phenyl]carbonyl}pyrrolidine-2,4-dicarboxylic acid",""],["RNI","(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C25 H24 Cl N5 O5 S2","CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)S(=O)(=O)CC1(C#N)CC1;C[S](=O)(=O)Nc1ccc2c(NC(=O)[CH]3CN(Cc4ccc(Cl)cc34)[S](=O)(=O)CC5(CC5)C#N)cncc2c1;CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N","InChI=1S/C25H24ClN5O5S2/c1-37(33,34)30-19-4-5-20-17(8-19)10-28-11-23(20)29-24(32)22-13-31(12-16-2-3-18(26)9-21(16)22)38(35,36)15-25(14-27)6-7-25/h2-5,8-11,22,30H,6-7,12-13,15H2,1H3,(H,29,32)/t22-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["69A","(4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide","C18 H19 N3 O2","c2ccc1NC(=O)CC(C)Nc1c2C(NCc3ccccc3)=O;C[CH]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1;CC1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3","InChI=1S/C18H19N3O2/c1-12-10-16(22)21-15-9-5-8-14(17(15)20-12)18(23)19-11-13-6-3-2-4-7-13/h2-9,12,20H,10-11H2,1H3,(H,19,23)(H,21,22)/t12-/m1/s1","","2016-02-19","2016-04-15","(4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide","2016-04-20"],["69B","(4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C21 H22 N4 O","C1CC1c3c2cc(ccc2n(n3)C)c5c4c(NC(CC(N4)C)=O)ccc5;C[CH]1CC(=O)Nc2cccc(c3ccc4n(C)nc(C5CC5)c4c3)c2N1;CC1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5","InChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1","","2016-02-19","2016-04-15","(4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["RNJ","(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine","C19 H26 N4 S2","C4CCCN(CCCSc1nc(c2c(n1)sc3c2C=CC(C3)C)N)C4;C[CH]1Cc2sc3nc(SCCCN4CCCCC4)nc(N)c3c2C=C1;CC1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1","InChI=1S/C19H26N4S2/c1-13-6-7-14-15(12-13)25-18-16(14)17(20)21-19(22-18)24-11-5-10-23-8-3-2-4-9-23/h6-7,13H,2-5,8-12H2,1H3,(H2,20,21,22)/t13-/m1/s1","","2020-02-17","2020-05-29","(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine","2020-06-03"],["RNK","4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one","C11 H12 Cl N3 O S","CN1N=CC(=C(Cl)C1=O)NCc2sccc2C;Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl","InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3","","2016-12-06","2017-12-15","4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one","2017-12-20"],["69C","(6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one","C17 H15 N3 O S2","S(C)c2c4c(c(c1nncc1)s2)CC(c3ccccc3)NC4=O;CSc1sc(c2C[CH](NC(=O)c12)c3ccccc3)c4cc[nH]n4;CSc1c2c(c(s1)c3cc[nH]n3)CC(NC2=O)c4ccccc4","InChI=1S/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/m1/s1","","2016-02-19","2017-08-04","(6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one","2017-08-09"],["RNL","(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid","C13 H15 N5 O4","O=C(O)C1CC1C(=O)NCCc1nnc2n1C=CN(C)C2=O;CN1C=Cn2c(CCNC(=O)[CH]3C[CH]3C(O)=O)nnc2C1=O;CN1C=Cn2c(nnc2C1=O)CCNC(=O)C3CC3C(=O)O","InChI=1S/C13H15N5O4/c1-17-4-5-18-9(15-16-10(18)12(17)20)2-3-14-11(19)7-6-8(7)13(21)22/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,21,22)/t7-,8+/m0/s1","","2022-06-23","2022-07-01","(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid","2022-07-06"],["69D","(1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile","C20 H21 Br N2 O","C1(c2c(CO1)cc(cc2)C#N)(c3ccc(cc3)Br)CCCN(C)C;CN(C)CCC[C]1(OCc2cc(ccc12)C#N)c3ccc(Br)cc3;CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br","InChI=1S/C20H21BrN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1","","2016-02-19","2016-04-08","(1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile","2016-04-13"],["RNM","(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","C18 H26 N4 S2","Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C;C[CH]1CCc2c(C1)sc3nc(SC[CH]4CCCN(C)C4)nc(N)c23;CC1CCc2c(sc3c2c(nc(n3)SCC4CCCN(C4)C)N)C1","InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1","","2020-02-17","2020-05-29","(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","2020-06-03"],["69E","(4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C22 H22 N6 O","C5C(C)Nc4c(cccc4c2ccc1n(nc(c1c2)c3cnn(c3)C)C)NC5=O;C[CH]1CC(=O)Nc2cccc(c3ccc4n(C)nc(c5cnn(C)c5)c4c3)c2N1;CC1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C","InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1","","2016-02-19","2016-04-15","(4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["RNN","N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide","C16 H28 N2 O4 S2","O=S(=O)(NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C(C)C;CC(C)[S](=O)(=O)NCCc1ccc(CCN[S](=O)(=O)C(C)C)cc1;CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C","InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3","","2011-04-26","2011-06-04","N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide",""],["69F","(4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C23 H22 N2 O2","C4C(C)Nc3c(cccc3c1cccc(c1)OCc2ccccc2)NC4=O;C[CH]1CC(=O)Nc2cccc(c2N1)c3cccc(OCc4ccccc4)c3;CC1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4","InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1","","2016-02-19","2016-04-15","(4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["69G","3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide","C20 H21 N3 O2","C(C=CC)N1C(c3c(C(=C1)c2cccc(c2)C(=O)N(C)C)ccn3)=O;CC=CCN1C=C(c2cccc(c2)C(=O)N(C)C)c3cc[nH]c3C1=O;CC=CCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C","InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+","","2016-02-19","2016-10-07","3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide","2016-10-12"],["RNO","(R)-PARA-NITROSTYRENE OXIDE","C8 H7 N O3","[O-][N+](=O)c1ccc(cc1)C2OC2;[O-][N+](=O)c1ccc(cc1)[CH]2CO2;c1cc(ccc1C2CO2)[N+](=O)[O-]","InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1","(2R)-2-(4-NITROPHENYL)OXIRANE","2005-05-20","2020-06-17","(2R)-2-(4-nitrophenyl)oxirane",""],["RNP","(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL","C16 H19 N O2","N(=CC(O)COc2cccc1ccccc12)C(C)C;CC(C)N=C[CH](O)COc1cccc2ccccc12;CC(C)N=CC(COc1cccc2c1cccc2)O","InChI=1S/C16H19NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-10,12,14,18H,11H2,1-2H3/b17-10-/t14-/m1/s1","","2002-10-03","2011-06-04","(1Z,2R)-1-[(1-methylethyl)imino]-3-(naphthalen-1-yloxy)propan-2-ol",""],["69H","4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol","C19 H23 F O2","CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C;CCCCCCc1cc(O)c(Oc2ccccc2C)cc1F;CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O","InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3","","2016-02-19","2017-02-17","4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol","2017-02-22"],["69I","beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate","C7 H17 O15 P3","OC[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C1C(C(C(C(O1)COP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4+,5+,6-,7-/m1/s1","[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate","2023-07-12","2024-02-23","[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate","2024-02-28"],["RNQ","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)oxan-3-yl]ethanamide","C14 H25 N O11","CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1","","2020-10-12","2025-11-07","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)oxan-3-yl]ethanamide","2025-11-12"],["69J","5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol","C14 H12 F N O4","[O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC;CCc1cc(O)c(Oc2ccccc2[N+]([O-])=O)cc1F;CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O","InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3","","2016-02-21","2017-02-17","5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol","2017-02-22"],["RNR","3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine","C27 H31 F2 N5 O2","O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5;F[CH]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[CH](F)C5)cc4nc3c2)C1;c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCC(C4)F)NC(=O)CCN5CCC(C5)F","InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1","N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}","2010-07-27","2020-06-17","N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}",""],["RNS","L-RHAMNOSE","C6 H12 O5","O=CC(O)C(O)C(O)C(O)C;C[CH](O)[CH](O)[CH](O)[CH](O)C=O;CC(C(C(C(C=O)O)O)O)O","InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1","","1999-11-19","2011-06-04","6-deoxy-L-mannose",""],["69K","5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol","C14 H14 F N O2","Cc1ncccc1Oc2cc(F)c(cc2O)CC;CCc1cc(O)c(Oc2cccnc2C)cc1F;CCc1cc(c(cc1F)Oc2cccnc2C)O","InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3","","2016-02-21","2017-02-17","5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol","2017-02-22"],["RNT","L-RHAMNITOL","C6 H14 O5","OC(C(O)C)C(O)C(O)CO;C[CH](O)[CH](O)[CH](O)[CH](O)CO;CC(C(C(C(CO)O)O)O)O","InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1","","1999-11-17","2011-06-04","1-deoxy-L-mannitol",""],["69M","4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol","C21 H18 N4 O","c1c(ccc(c1)c4c(c2cc(ccc2)c3cccc(c3)N)c(nn4)N)O;Nc1cccc(c1)c2cccc(c2)c3c(N)[nH]nc3c4ccc(O)cc4;c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N","InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)","","2016-02-22","2016-04-01","4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol","2016-04-06"],["RNU","~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide","C14 H17 N3 O3 S2","Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=C(C)S3;Cc1ccc(o1)C(=O)N2CSCC2C(=O)NC3NC=C(S3)C","InChI=1S/C14H17N3O3S2/c1-8-3-4-11(20-8)13(19)17-7-21-6-10(17)12(18)16-14-15-5-9(2)22-14/h3-5,10,14-15H,6-7H2,1-2H3,(H,16,18)/t10-,14+/m1/s1","","2022-12-05","2023-09-08","~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide","2023-09-13"],["69O","2-oxopentanoic acid","C5 H8 O3","CCCC(C(O)=O)=O;CCCC(=O)C(O)=O;CCCC(=O)C(=O)O","InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)","2-Ketopentanoic acid","2016-02-22","2021-03-01","2-oxopentanoic acid","2016-03-09"],["69P","6-piperazin-1-yl-9H-purine","C9 H12 N6","n2cnc1c(ncn1)c2N3CCNCC3;C1CN(CCN1)c2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)N3CCNCC3","InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9/h5-6,10H,1-4H2,(H,11,12,13,14)","","2010-05-26","2024-09-27","6-(piperazin-1-yl)-9H-purine",""],["RNV","2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide","C18 H27 N5 O S2","C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)N(CC)CC;CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCCc3sc2n1;CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N","InChI=1S/C18H27N5OS2/c1-3-23(4-2)10-9-20-14(24)11-25-18-21-16(19)15-12-7-5-6-8-13(12)26-17(15)22-18/h3-11H2,1-2H3,(H,20,24)(H2,19,21,22)","","2020-02-17","2020-05-29","2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide","2020-06-03"],["RNW","2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide","C15 H15 N O3 S","ONC(=O)C[S](=O)C(c1ccccc1)c2ccccc2;c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO","InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m1/s1","","2020-10-13","2020-11-27","2-(diphenylmethyl)sulfinyl-~{N}-oxidanyl-ethanamide","2020-12-02"],["69Q","2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol","C19 H17 F6 N7 O","c3(cccc(c1nc(NCC(O)(C)C)nc(n1)Nc2cc(ncc2)C(F)(F)F)n3)C(F)(F)F;CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c3cccc(n3)C(F)(F)F;CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O","InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)","Enasidenib; AG-221","2016-02-22","2020-05-26","2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol","2017-03-08"],["RNX","1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one","C28 H38 F2 N10 O4","C=CC(=O)N1CCC(CC1)COCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1C;C[CH]1COCCN1c2nc(nc(n2)c3cnc(N)nc3C(F)F)N4CCN(CC4)C(=O)COCC5CCN(CC5)C(=O)C=C;CC1COCCN1c2nc(nc(n2)N3CCN(CC3)C(=O)COCC4CCN(CC4)C(=O)C=C)c5cnc(nc5C(F)F)N","InChI=1S/C28H38F2N10O4/c1-3-21(41)37-6-4-19(5-7-37)16-44-17-22(42)38-8-10-39(11-9-38)27-34-25(20-14-32-26(31)33-23(20)24(29)30)35-28(36-27)40-12-13-43-15-18(40)2/h3,14,18-19,24H,1,4-13,15-17H2,2H3,(H2,31,32,33)/t18-/m0/s1","","2023-08-22","2024-09-27","1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one","2024-08-28"],["69R","4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol","C19 H17 N5 O2","c3(c1ccc(cc1)O)c(c2ccc(cc2)O)c(nn3)NCc4cncn4;Oc1ccc(cc1)c2n[nH]c(NCc3c[nH]cn3)c2c4ccc(O)cc4;c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O","InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)","","2016-02-22","2016-04-01","4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol","2016-04-06"],["RNY","N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLPYRIDINE-4-CARBOXAMIDE","C32 H37 N7 O4","O=C(Nc4ccc(c(Nc3ncnc2c3cc(OCCN1CCCC1)c(OC)c2)c4)C)c5cc(ncc5)N6CCOCC6;COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN6CCCC6;Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6","InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)","","2011-11-29","2014-09-14","N-[3-({7-methoxy-6-[2-(pyrrolidin-1-yl)ethoxy]quinazolin-4-yl}amino)-4-methylphenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide",""],["69S","3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol","C21 H18 N4 O2","c1(ccc(O)cc1)c2nnc(c2c4cc(c3cccc(c3)N)c(cc4)O)N;Nc1cccc(c1)c2cc(ccc2O)c3c(N)[nH]nc3c4ccc(O)cc4;c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O","InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)","","2016-02-22","2016-04-01","3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol","2016-04-06"],["69T","4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol","C15 H13 N3 O2","c1(ccc(cc1)O)Nc2cc(nn2)c3ccc(cc3)O;Oc1ccc(Nc2[nH]nc(c2)c3ccc(O)cc3)cc1;c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O","InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)","","2016-02-22","2016-04-01","4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol","2016-04-06"],["RNZ","2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium","C29 H37 N2 O2","CC(C)(C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3;CC(C)(C)C[NH2+]CC(C(Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O","InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1","","2020-10-14","2021-05-21","2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium","2021-05-26"],["69U","4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol","C22 H19 N3 O3","C(Nc1nnc(c1c2ccc(cc2)O)c3ccc(cc3)O)c4ccc(cc4)O;Oc1ccc(CNc2[nH]nc(c3ccc(O)cc3)c2c4ccc(O)cc4)cc1;c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O","InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)","","2016-02-22","2016-04-01","4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol","2016-04-06"],["RO0","1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE","C33 H38 N2 O5","O(c1ccc(cc1OC)Cc3ncc(c2cc(OC)c(OC)cc23)CN5CCC(c4ccccc4OC)CC5)C;COc1ccc(Cc2ncc(CN3CCC(CC3)c4ccccc4OC)c5cc(OC)c(OC)cc25)cc1OC;COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC","InChI=1S/C33H38N2O5/c1-36-29-9-7-6-8-25(29)23-12-14-35(15-13-23)21-24-20-34-28(16-22-10-11-30(37-2)31(17-22)38-3)27-19-33(40-5)32(39-4)18-26(24)27/h6-11,17-20,23H,12-16,21H2,1-5H3","ISOQUINOLINE DERIVATIVE PA-082","2006-02-03","2020-06-17","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline",""],["RO1","(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE","C37 H53 N5 O7 S","O=S(=O)(C)C(C)(C)C(NC(=O)COc1cccnc1)C(=O)NC(C(=O)CN3C(C(=O)NC(C)(C)C)CC2CCCCC2C3)Cc4ccccc4;CC(C)(C)NC(=O)[CH]1C[CH]2CCCC[CH]2CN1CC(=O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)COc4cccnc4)C(C)(C)[S](C)(=O)=O;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(=O)C(Cc3ccccc3)NC(=O)C(C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4","InChI=1S/C37H53N5O7S/c1-36(2,3)41-34(45)30-20-26-15-10-11-16-27(26)22-42(30)23-31(43)29(19-25-13-8-7-9-14-25)39-35(46)33(37(4,5)50(6,47)48)40-32(44)24-49-28-17-12-18-38-21-28/h7-9,12-14,17-18,21,26-27,29-30,33H,10-11,15-16,19-20,22-24H2,1-6H3,(H,39,46)(H,40,44)(H,41,45)/t26-,27+,29-,30-,33+/m0/s1","","2005-12-07","2011-06-04","(3S,4aS,8aS)-N-tert-butyl-2-[(3S)-3-({3-(methylsulfonyl)-N-[(pyridin-3-yloxy)acetyl]-L-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide",""],["69V","2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","C25 H25 N7 O3 S2","N(c4nnc(OC1CCN(CC1)c3nnc(NC(=O)Cc2ccccc2)s3)s4)C(Cc5ccccc5)=O;O=C(Cc1ccccc1)Nc2sc(OC3CCN(CC3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C25H25N7O3S2/c33-20(15-17-7-3-1-4-8-17)26-22-28-30-24(36-22)32-13-11-19(12-14-32)35-25-31-29-23(37-25)27-21(34)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,28,33)(H,27,29,34)","","2016-02-22","2016-05-06","2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","2016-05-11"],["69W","4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine","C15 H14 N4","Nc1cccc(c1)c2cc(ccc2)c3c(N)nnc3;Nc1cccc(c1)c2cccc(c2)c3cn[nH]c3N;c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N","InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)","","2016-02-23","2016-04-01","4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine","2016-04-06"],["RO2","3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL","C24 H23 N7 O","n2c(N1CCN(C)CC1)ccc3nc(nc23)c6ccc5nc(c4cccc(O)c4)nc5c6;CN1CCN(CC1)c2ccc3[nH]c(nc3n2)c4ccc5nc([nH]c5c4)c6cccc(O)c6;CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O","InChI=1S/C24H23N7O/c1-30-9-11-31(12-10-30)21-8-7-19-24(28-21)29-23(26-19)16-5-6-18-20(14-16)27-22(25-18)15-3-2-4-17(32)13-15/h2-8,13-14,32H,9-12H2,1H3,(H,25,27)(H,26,28,29)","META-OH(N) HOECHST","1999-07-08","2020-06-17","3-{6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl}phenol",""],["69X","5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine","C19 H23 N6 O9 P","Oc1ccc(cc1)CC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;N[CH](Cc1ccc(O)cc1)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cc(ccc1CC(C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O","InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1","","2021-08-02","2022-06-03","5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine","2022-06-08"],["RO3","N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE","C11 H10 Br N3 O3 S2","BrC=2S/C(=NC(=O)NS(=O)(=O)c1ccc(cc1)C)NC=2;Cc1ccc(cc1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2;Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br","InChI=1S/C11H10BrN3O3S2/c1-7-2-4-8(5-3-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16)","","2009-02-26","2011-06-04","N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-4-methylbenzenesulfonamide",""],["RO4","[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER","C19 H35 N3 O6","O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)OCC)C)CC(C)C)CC(C)C;CCOC(=O)[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)CC(=O)NO;CCOC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)CC(=O)NO","InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1","","1999-07-08","2011-06-04","ethyl N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-alaninate",""],["69Y","4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one","C17 H19 F3 N2 O2","C2(=NOC1(CCN(C(=O)CCC(F)(F)F)CC1)C2)c3ccccc3;FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)c3ccccc3;c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F","InChI=1S/C17H19F3N2O2/c18-17(19,20)7-6-15(23)22-10-8-16(9-11-22)12-14(21-24-16)13-4-2-1-3-5-13/h1-5H,6-12H2","","2016-02-23","2017-04-21","4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one","2017-04-26"],["RO5","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide","C12 H12 Br N3 O3 S2","Brc1sc(nc1)NC(=O)NS(=O)(=O)c2cccc(c2)CC;CCc1cccc(c1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br","InChI=1S/C12H12BrN3O3S2/c1-2-8-4-3-5-9(6-8)21(18,19)16-11(17)15-12-14-7-10(13)20-12/h3-7H,2H2,1H3,(H2,14,15,16,17)","","2009-02-26","2011-06-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide",""],["69Z","[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone","C16 H15 Cl N4 O S","c1(ccc(cc1)C2CCCN2C(c3sc4n(n3)c(C)nc4)=O)Cl;Cc1ncc2sc(nn12)C(=O)N3CCC[CH]3c4ccc(Cl)cc4;Cc1ncc2n1nc(s2)C(=O)N3CCCC3c4ccc(cc4)Cl","InChI=1S/C16H15ClN4OS/c1-10-18-9-14-21(10)19-15(23-14)16(22)20-8-2-3-13(20)11-4-6-12(17)7-5-11/h4-7,9,13H,2-3,8H2,1H3/t13-/m0/s1","","2016-02-23","2016-12-16","[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone","2016-12-21"],["RO6","3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C18 H20 Cl N5 O2","Clc1ccccc1N3C(=O)Nc2nc(ncc2C3)NC4CCC(O)CC4;O[CH]1CC[CH](CC1)Nc2ncc3CN(C(=O)Nc3n2)c4ccccc4Cl;c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl","InChI=1S/C18H20ClN5O2/c19-14-3-1-2-4-15(14)24-10-11-9-20-17(22-16(11)23-18(24)26)21-12-5-7-13(25)8-6-12/h1-4,9,12-13,25H,5-8,10H2,(H2,20,21,22,23,26)/t12-,13-","","2009-01-13","2011-06-04","3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one",""],["6A0","(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid","C8 H16 N2 O4","NC(C(O)=O)CCCCCC(NO)=O;N[CH](CCCCCC(=O)NO)C(O)=O;C(CCC(C(=O)O)N)CCC(=O)NO","InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1","","2016-02-24","2024-09-27","(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid","2016-05-11"],["6A1","hydroxy(2-{[(5S)-6-hydroxy-8-methoxy-4,5-dihydro-3H-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium","C19 H25 N4 O3","n2c4c3c(c(O)c1cc(OC)ccc1n3c2)C(NCC[N+](O)(C)C)CC4;COc1ccc2n3cnc4CC[CH](NCC[N+](C)(C)O)c(c(O)c2c1)c34;C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O","InChI=1S/C19H24N4O3/c1-23(2,25)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(26-3)4-7-16(13)22(18)11-21-15/h4,7,10-11,14,20,25H,5-6,8-9H2,1-3H3/p+1/t14-/m0/s1","","2011-08-19","2011-09-16","hydroxy(2-{[(5S)-6-hydroxy-8-methoxy-4,5-dihydro-3H-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium",""],["RO7","(2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid","C24 H23 N O5 S","O=C(O)C(OC)Cc4ccc(OCCc1nc(oc1C)c2ccccc2)c3c4scc3;CO[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)c4ccsc14)C(O)=O;Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC(C(=O)O)OC","InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1","","2009-02-20","2011-06-04","(2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid",""],["RO8","N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide","C10 H7 Br Cl N3 O3 S2","BrC=2S/C(=NC(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2;Clc1cccc(c1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2;c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br","InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)","RO5062408","2011-01-17","2020-06-17","N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide",""],["6A4","(4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate","C17 H32 O4 P S2","S=P1(OCC(O1)COC(CCCCCCCCCCCCC)=O)[S-];CCCCCCCCCCCCCC(=O)OC[CH]1CO[P]([S-])(=S)O1;CCCCCCCCCCCCCC(=O)OCC1COP(=S)(O1)[S-]","InChI=1S/C17H33O4PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)19-14-16-15-20-22(23,24)21-16/h16H,2-15H2,1H3,(H,23,24)/p-1/t16-/m0/s1","","2016-02-25","2016-05-06","(4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate","2016-05-11"],["6A5","Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone","C19 H19 Cl2 N5 O2","O=C(c2nc3nc(c(c(c1ccc(Cl)cc1Cl)n3c2)CN)C)N4CCOCC4;Cc1nc2nc(cn2c(c1CN)c3ccc(Cl)cc3Cl)C(=O)N4CCOCC4;Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN","InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3","1-[5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine;\n6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-4-ium-1-ide","2010-06-28","2020-06-17","[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl](morpholin-4-yl)methanone",""],["RO9","1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine","C20 H18 N4 O","n2c(c1cccc(OC)c1)c4c(cc2Nc3nnc(c3)C)cccc4;COc1cccc(c1)c2nc(Nc3cc(C)[nH]n3)cc4ccccc24;Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC","InChI=1S/C20H18N4O/c1-13-10-19(24-23-13)21-18-12-14-6-3-4-9-17(14)20(22-18)15-7-5-8-16(11-15)25-2/h3-12H,1-2H3,(H2,21,22,23,24)","","2013-06-09","2014-01-31","1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine","2014-02-05"],["6A6","(3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone","C19 H19 F N4 O","c4(ccc(C3N(C(c1ccc2c(c1)c(nn2)N)=O)CCCC3)cc4)F;Nc1n[nH]c2ccc(cc12)C(=O)N3CCCC[CH]3c4ccc(F)cc4;c1cc(ccc1C2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F","InChI=1S/C19H19FN4O/c20-14-7-4-12(5-8-14)17-3-1-2-10-24(17)19(25)13-6-9-16-15(11-13)18(21)23-22-16/h4-9,11,17H,1-3,10H2,(H3,21,22,23)/t17-/m0/s1","","2016-02-25","2016-12-16","(3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone","2016-12-21"],["ROA","(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid","C18 H16 O8","O=C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2;OC(=O)[CH](Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c(O)c2;c1cc(c(cc1CC(C(=O)O)OC(=O)C=Cc2ccc(c(c2)O)O)O)O","InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1","Rosmarinic acid","2011-09-02","2020-06-17","(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid",""],["ROB","1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE","C5 H11 O7 P","O=P(OCC1OCC(O)C1O)(O)O;O[CH]1CO[CH](CO[P](O)(O)=O)[CH]1O;C1C(C(C(O1)COP(=O)(O)O)O)O","InChI=1/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1/f/h8-9H","","1999-07-08","2008-10-14","1,4-anhydro-5-O-phosphono-D-xylitol",""],["6A7","[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone","C18 H17 Cl N4 O","c1(Cl)ccc(cc1)C2N(CCC2)C(c4cc3c(C)nnc3nc4)=O;Cc1n[nH]c2ncc(cc12)C(=O)N3CCC[CH]3c4ccc(Cl)cc4;Cc1c2cc(cnc2[nH]n1)C(=O)N3CCCC3c4ccc(cc4)Cl","InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1","","2016-02-25","2016-12-16","[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone","2016-12-21"],["6A8","((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol","C25 H35 B N6 O5","O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3;NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)B3OC[CH](CO)O3)cc1;B1(OCC(O1)CO)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(cc2)CN)NC(=O)c3ccccc3","InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1","","2016-02-25","2024-09-27","4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide","2016-12-14"],["ROC","(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1\n-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide","C38 H50 N6 O5","O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(CCCC4)C5;CC(C)(C)NC(=O)[CH]1C[CH]2CCCC[CH]2CN1C[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](CC(N)=O)NC(=O)c4ccc5ccccc5n4;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4)O","InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1","Fortovase; SAQUINAVIR; RO 31-8959","2000-01-04","2020-08-12","N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide",""],["ROD","2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H11 F3 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2C(F)(F)F;OC(=O)C1=C(CCc2ccccc2C(F)(F)F)C(=O)NC(=O)N1;c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F","InChI=1S/C14H11F3N2O4/c15-14(16,17)9-4-2-1-3-7(9)5-6-8-10(12(21)22)18-13(23)19-11(8)20/h1-4H,5-6H2,(H,21,22)(H2,18,19,20,23)","","2012-12-03","2013-11-29","2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-12-04"],["6A9","N-9'-methoxynonyl-1-deoxynojirimycin","C16 H33 N O5","C(CCCCCN1CC(C(C(C1CO)O)O)O)CCCOC;COCCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO;COCCCCCCCCCN1CC(C(C(C1CO)O)O)O","InChI=1S/C16H33NO5/c1-22-10-8-6-4-2-3-5-7-9-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1","","2016-02-25","2016-07-22","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol","2016-07-27"],["ROE","5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(OC)cc2cc3;COc1ccc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)ccc2c1;COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-13-6-5-11-8-10(2-4-12(11)9-13)3-7-14-15(17(22)23)19-18(24)20-16(14)21/h2,4-6,8-9H,3,7H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-01-08","2013-12-27","5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-01-01"],["6AB","6-AMINOBENZOIC ACID","C7 H7 N O2","O=C(O)c1ccccc1N;Nc1ccccc1C(O)=O;c1ccc(c(c1)C(=O)O)N","InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/f/h9H","","1999-07-19","2008-10-14","2-aminobenzoic acid",""],["6AC","prop-2-enenitrile","C3 H3 N","N#CC=C;C=CC#N;C=CC#N","InChI=1S/C3H3N/c1-2-3-4/h2H,1H2","Acrylonitrile","2013-07-16","2021-03-01","prop-2-enenitrile","2013-07-24"],["ROF","3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE","C17 H14 Cl2 F2 N2 O3","Clc3c(NC(=O)c2ccc(OC(F)F)c(OCC1CC1)c2)c(Cl)cnc3;FC(F)Oc1ccc(cc1OCC2CC2)C(=O)Nc3c(Cl)cncc3Cl;c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F","InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)","ROFLUMILAST","2004-11-16","2021-03-01","3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide",""],["6AD","2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)","C11 H17 N5 O10 P2 S","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O;CSc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1;CSc1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1","2-methylthio-adenosine-5'-diphosphate","2014-03-31","2021-03-01","2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)","2014-04-30"],["ROG","2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","C17 H24 N4 S2","C1CCC(CN1C)CSc2nc(c3c(n2)sc4c3CCCC4)N;CN1CCC[CH](CSc2nc(N)c3c(sc4CCCCc34)n2)C1;CN1CCCC(C1)CSc2nc(c3c4c(sc3n2)CCCC4)N","InChI=1S/C17H24N4S2/c1-21-8-4-5-11(9-21)10-22-17-19-15(18)14-12-6-2-3-7-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20)/t11-/m0/s1","","2020-02-17","2020-05-29","2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","2020-06-03"],["ROI","7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN","C8 H11 N5 O2","O=C1C=2N=C(O)C(NC=2N=C(N1)N)(C)C;CC1(C)NC2=C(N=C1O)C(=O)NC(=N2)N;CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C","InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)","","1999-07-08","2011-06-04","2-amino-6-hydroxy-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one",""],["6AE","4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide","C14 H19 N5 O3 S","c2(S(N)(=O)=O)ccc(Nc1nc(ccn1)NC(C(C)O)C)cc2;C[CH](O)[CH](C)Nc1ccnc(Nc2ccc(cc2)[S](N)(=O)=O)n1;CC(C(C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H19N5O3S/c1-9(10(2)20)17-13-7-8-16-14(19-13)18-11-3-5-12(6-4-11)23(15,21)22/h3-10,20H,1-2H3,(H2,15,21,22)(H2,16,17,18,19)/t9-,10-/m1/s1","","2016-02-26","2016-04-22","4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide","2016-04-27"],["ROJ","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate","C15 H22 Cl N5 O12 P2","C1(COC(C1O)COP(OP(O)(=O)OCC2C(C(C(O2)n3c4c(nc3)c(N)ncn4)O)O)(=O)O)Cl;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](Cl)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)Cl)O)O)O)N","InChI=1S/C15H22ClN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,8-,10+,11-,12-,15-/m1/s1","","2020-02-18","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-chloro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2020-06-03"],["6AF","(2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol","C17 H21 Br N4 O3 S","c3(Nc1ccc(cc1)S(C2CC2)(=O)=N)nc(c(cn3)Br)OC(C(O)C)C;C[CH](O)[CH](C)Oc1nc(Nc2ccc(cc2)[S](=N)(=O)C3CC3)ncc1Br;CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O","InChI=1S/C17H21BrN4O3S/c1-10(23)11(2)25-16-15(18)9-20-17(22-16)21-12-3-5-13(6-4-12)26(19,24)14-7-8-14/h3-6,9-11,14,19,23H,7-8H2,1-2H3,(H,20,21,22)/t10-,11-,26+/m1/s1","","2016-02-26","2016-04-22","(2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol","2016-04-27"],["6AH","6-aminohexan-1-ol","C6 H15 N O","OCCCCCCN;NCCCCCCO;C(CCCO)CCN","InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2","","2012-09-28","2012-10-26","6-aminohexan-1-ol","2012-10-26"],["ROK","4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE","C9 H13 N3 O3 S2","O=S(=O)(c1ccc(N)cc1)NC(=O)NCCS;Nc1ccc(cc1)[S](=O)(=O)NC(=O)NCCS;c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS","InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)","","2008-05-09","2011-06-04","4-amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide",""],["6AI","1H-indazol-6-amine","C7 H7 N3","n2cc1ccc(cc1n2)N;Nc1ccc2cn[nH]c2c1;c1cc2cn[nH]c2cc1N","InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)","","2011-03-22","2012-03-16","1H-indazol-6-amine",""],["ROL","ROLIPRAM","C16 H21 N O3","O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3;COc1ccc(cc1OC2CCCC2)[CH]3CNC(=O)C3;COc1ccc(cc1OC2CCCC2)C3CC(=O)NC3","InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1","(4R)-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-2-PYRROLIDINONE","2001-08-01","2020-06-17","(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one",""],["ROM","C-1027 AROMATIZED CHROMOPHORE","C43 H45 Cl N3 O13","O=C2C(Oc1cc(OC)cc(c1N2)C(=O)OC6c8cc7C4=CC=CC4(OC3OC(C(N(C)C)C(O)C3O)(C)C)C(Oc5c(O)cc(cc5Cl)C([NH3+])CC(=O)OC6)c7cc8)=C;COc1cc2OC(=C)C(=O)Nc2c(c1)C(=O)O[CH]3COC(=O)C[CH]([NH3+])c4cc(O)c(O[CH]5c6ccc3cc6C7=CC=C[C]57O[CH]8OC(C)(C)[CH]([CH](O)[CH]8O)N(C)C)c(Cl)c4;CC1(C(C(C(C(O1)OC23C=CC=C2c4cc5ccc4C3Oc6c(cc(cc6Cl)C(CC(=O)OCC5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C","InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/p+1/t28-,31-,34-,35+,37-,38+,41-,43+/m0/s1","","2001-02-01","2011-06-04","(6S,11R,18aR,18bR)-21-chloro-18a-{[4,6-dideoxy-4-(dimethylamino)-5-methyl-beta-D-allopyranosyl]oxy}-3-hydroxy-11-{[(7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-yl)carbonyl]oxy}-8-oxo-7,8,10,11,18a,18b-hexahydro-6H-2,5-etheno-12,15-(metheno)pentaleno[1,2-b][1,9]dioxacyclohexadecin-6-aminium",""],["6AJ","2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile","C21 H21 F N8 O2","c1(c(ccc(c1)F)C#N)Cn4c3C(N2C(N(C(=O)C2)C)=Nc3nc4N5CC(CCC5)N)=O;CN1C(=O)CN2C(=O)c3n(Cc4cc(F)ccc4C#N)c(nc3N=C12)N5CCC[CH](N)C5;CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCCC(C4)N)Cc5cc(ccc5C#N)F)C2=O","InChI=1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1","","2016-02-26","2016-06-03","2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile","2016-06-08"],["RON","NORVALINE","C5 H11 N O2","O=C(O)C(N)CCC;CCC[CH](N)C(O)=O;CCCC(C(=O)O)N","InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/f/h7H","","1999-07-08","2009-01-07","L-norvaline",""],["6AK","4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid","C39 H39 Cl2 N5 O4","C1CCN(C(c4n1c3c(c2c(n(C)nc2C)C)c(Cl)ccc3c4CCCOc5cc(c(c(c5)C)Cl)C)=O)c6cc(cc7c6ccn7C)C(O)=O;Cn1ccc2c1cc(cc2N3CCCn4c(C3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c(c46)c7c(C)nn(C)c7C)C(O)=O;Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl","InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-10-11-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-14-8-13-45(38(47)37(27)46)32-20-25(39(48)49)19-31-29(32)12-15-43(31)5/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49)","","2016-02-26","2017-01-13","4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid","2017-01-18"],["6AL","3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid","C33 H32 Cl2 N4 O4","c5cc(C(O)=O)cc(NC(c3c(CCCOc1cc(C)c(c(C)c1)Cl)c2ccc(Cl)c(c2n3)c4c(C)n(C)nc4C)=O)c5;Cn1nc(C)c(c1C)c2c(Cl)ccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c([nH]c23)C(=O)Nc5cccc(c5)C(O)=O;Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl","InChI=1S/C33H32Cl2N4O4/c1-17-14-23(15-18(2)29(17)35)43-13-7-10-24-25-11-12-26(34)28(27-19(3)38-39(5)20(27)4)30(25)37-31(24)32(40)36-22-9-6-8-21(16-22)33(41)42/h6,8-9,11-12,14-16,37H,7,10,13H2,1-5H3,(H,36,40)(H,41,42)","","2016-02-26","2017-01-13","3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid","2017-01-18"],["ROO","2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid","C17 H14 N4 O3","OC(=O)c1cc(CNc2ncnc3[NH]c4ccccc4c32)oc1C;Cc1oc(CNc2ncnc3[nH]c4ccccc4c23)cc1C(O)=O;Cc1c(cc(o1)CNc2c3c4ccccc4[nH]c3ncn2)C(=O)O","InChI=1S/C17H14N4O3/c1-9-12(17(22)23)6-10(24-9)7-18-15-14-11-4-2-3-5-13(11)21-16(14)20-8-19-15/h2-6,8H,7H2,1H3,(H,22,23)(H2,18,19,20,21)","","2022-06-23","2022-07-01","2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid","2022-07-06"],["ROP","PROPIONAMIDE","C3 H7 N O","O=C(N)CC;CCC(N)=O;CCC(=O)N","InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","","2001-03-23","2024-09-27","propanamide",""],["6AM","4,6-diamino-1,3,5-triazin-2-ol","C3 H5 N5 O","Oc1nc(nc(n1)N)N;Nc1nc(N)nc(O)n1;c1(nc(nc(n1)O)N)N","InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)","Ammeline","2013-07-22","2021-03-01","4,6-diamino-1,3,5-triazin-2-ol","2014-01-22"],["ROQ","(3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid","C6 H8 O5","C[CH](CC(O)=O)C(=O)C(O)=O;CC(CC(=O)O)C(=O)C(=O)O","InChI=1S/C6H8O5/c1-3(2-4(7)8)5(9)6(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11)/t3-/m0/s1","","2020-10-14","2021-08-20","(3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid","2021-08-25"],["6AN","6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE","C16 H13 N O3 S","O=S(=O)(O)c3ccc2cc(N=C1/C=CCC=C1)ccc2c3;O[S](=O)(=O)c1ccc2cc(ccc2c1)N=C3C=CCC=C3;c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3","InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20)","2-ANILINONAPHTHALENE-6-SULFONIC ACID","2009-07-27","2020-06-17","6-(cyclohexa-2,5-dien-1-ylideneamino)naphthalene-2-sulfonic acid",""],["6AO","(2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide","C19 H23 N3 O","O=C(NC(C=[N@H])Cc1ccc(cc1)c2ccccc2)C(N)CC;CC[CH](N)C(=O)N[CH](Cc1ccc(cc1)c2ccccc2)C=N;CCC(C(=O)NC(Cc1ccc(cc1)c2ccccc2)C=N)N","InChI=1S/C19H23N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,20H,2,12,21H2,1H3,(H,22,23)/b20-13+/t17-,18-/m0/s1","","2013-10-31","2024-09-27","(2S)-2-amino-N-[(2S,3E)-1-(biphenyl-4-yl)-3-iminopropan-2-yl]butanamide","2014-03-19"],["ROR","L-ribose","C5 H10 O5","O=CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C=O)O)O)O)O","InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1","","2013-12-10","2020-06-24","L-ribose","2014-05-28"],["6AP","9H-PURINE-2,6-DIAMINE","C5 H6 N6","n1c(c2ncnc2nc1N)N;Nc1nc(N)c2nc[nH]c2n1;c1[nH]c2c(n1)c(nc(n2)N)N","InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)","2,6-DIAMINOPURINE","2005-10-10","2020-06-17","9H-purine-2,6-diamine",""],["ROS","N,N'-TETRAMETHYL-ROSAMINE","C23 H23 N2 O","O2c1cc(ccc1C(=C3C2=CC(=[N+](/C)C)C=C3)c4ccccc4)N(C)C;CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4","InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1","(6-DIMETHYLAMINO-9-PHENYL-XANTHEN-3-YLIDENE)-DIMETHYL-AMMONIUM","2000-05-22","2021-03-01","N-[6-(dimethylamino)-9-phenyl-3H-xanthen-3-ylidene]-N-methylmethanaminium",""],["ROU","5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C15 H10 F6 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F;OC(=O)C1=C(CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)NC(=O)N1;c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C15H10F6N2O4/c16-14(17,18)7-3-6(4-8(5-7)15(19,20)21)1-2-9-10(12(25)26)22-13(27)23-11(9)24/h3-5H,1-2H2,(H,25,26)(H2,22,23,24,27)","","2012-12-12","2013-12-06","5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-12-11"],["6AQ","1-(4-fluorophenyl)-1H-imidazole","C9 H7 F N2","c2ncn(c1ccc(F)cc1)c2;Fc1ccc(cc1)n2ccnc2;c1cc(ccc1n2ccnc2)F","InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H","","2016-02-26","2017-02-17","1-(4-fluorophenyl)-1H-imidazole","2017-02-22"],["ROV","nevanimibe","C27 H39 N3 O","C(C)(C)c1c(c(C(C)C)ccc1)NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C;CC(C)c1cccc(C(C)C)c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C;CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C","InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)","N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea","2020-02-18","2020-06-17","N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea","2020-05-13"],["6AR","1-(4-bromophenyl)-1H-imidazole","C9 H7 Br N2","Brc1ccc(cc1)n2ccnc2;Brc1ccc(cc1)n2ccnc2;c1cc(ccc1n2ccnc2)Br","InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H","","2016-02-26","2017-02-17","1-(4-bromophenyl)-1H-imidazole","2017-02-22"],["ROX","ROXITHROMYCIN","C41 H76 N2 O15","O=C3OC(CC)C(O)(C)C(O)C(C(=NOCOCCOC)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)C(=NOCOCCOC)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O","InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1","","2001-09-18","2012-01-05","(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione 10-{O-[(2-methoxyethoxy)methyl]oxime} (non-preferred name)",""],["6AS","(2Z,4E)-5-[(1S)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid","C21 H32 O4 S","O=C(O)C=C(/C=C/C1(O)C(=C(SCCCCCC)C(=O)CC1(C)C)C)C;CCCCCCSC1=C(C)[C](O)(C=CC(C)=CC(O)=O)C(C)(C)CC1=O;CCCCCCSC1=C(C(C(CC1=O)(C)C)(C=CC(=CC(=O)O)C)O)C","InChI=1S/C21H32O4S/c1-6-7-8-9-12-26-19-16(3)21(25,20(4,5)14-17(19)22)11-10-15(2)13-18(23)24/h10-11,13,25H,6-9,12,14H2,1-5H3,(H,23,24)/b11-10+,15-13-/t21-/m1/s1","","2013-08-08","2014-05-02","(2Z,4E)-5-[(1S)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid","2014-05-07"],["6AT","2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)","C11 H18 N5 O13 P3 S","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O;CSc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1;CSc1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1","2-methylthio-adenosine-5'-triphosphate","2014-04-01","2021-03-01","2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)","2014-04-30"],["ROY","3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide","C17 H20 Cl2 N4 O","C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4;NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(CC4CCNCC4)c2n1;c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl","InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24)","","2020-02-18","2020-10-30","3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide","2020-11-04"],["ROZ","4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide","C18 H14 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O;NC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)C(=O)N","InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide","2023-11-08"],["6AU","6-acetyluridine 5'-phosphate","C11 H15 N2 O10 P","O=C(C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O)C;CC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CC(=O)C1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H15N2O10P/c1-4(14)5-2-7(15)12-11(18)13(5)10-9(17)8(16)6(23-10)3-22-24(19,20)21/h2,6,8-10,16-17H,3H2,1H3,(H,12,15,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1","","2008-10-23","2011-06-04","6-acetyluridine 5'-(dihydrogen phosphate)",""],["RP0","4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide","C13 H10 Br N3 O4 S","O=S(=O)(Nc1cc(C#N)c(Br)cc1)c1cc(oc1C)C(N)=O;Cc1oc(cc1[S](=O)(=O)Nc2ccc(Br)c(c2)C#N)C(N)=O;Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2ccc(c(c2)C#N)Br","InChI=1S/C13H10BrN3O4S/c1-7-12(5-11(21-7)13(16)18)22(19,20)17-9-2-3-10(14)8(4-9)6-15/h2-5,17H,1H3,(H2,16,18)","","2022-06-23","2022-07-01","4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide","2022-07-06"],["6AV","5-chloro-2-(1H-imidazol-1-yl)aniline","C9 H8 Cl N3","n2(c1ccc(Cl)cc1N)ccnc2;Nc1cc(Cl)ccc1n2ccnc2;c1cc(c(cc1Cl)N)n2ccnc2","InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2","","2016-02-26","2017-02-17","5-chloro-2-(1H-imidazol-1-yl)aniline","2017-02-22"],["6AW","1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate","C25 H40 N6 O5 S2","O=C(OCc1scnc1)NC(CC)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)CO)CC;CC[CH](CC[CH](CC)NC(=O)[CH](CO)NC(=O)N(C)Cc1csc(n1)C(C)C)NC(=O)OCc2scnc2;CCC(CCC(CC)NC(=O)OCc1cncs1)NC(=O)C(CO)NC(=O)N(C)Cc2csc(n2)C(C)C","InChI=1S/C25H40N6O5S2/c1-6-17(8-9-18(7-2)29-25(35)36-13-20-10-26-15-38-20)27-22(33)21(12-32)30-24(34)31(5)11-19-14-37-23(28-19)16(3)4/h10,14-18,21,32H,6-9,11-13H2,1-5H3,(H,27,33)(H,29,35)(H,30,34)/t17-,18-,21-/m0/s1","","2013-05-06","2013-06-14","1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate","2013-06-19"],["RP1","6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL","C10 H12 N5 O5 P S","S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=S)(O4)O)O)N","InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1","RP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE","2002-12-13","2020-06-17","(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide",""],["6AX","5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine","C9 H8 Cl N3 O","c2(Cl)ccc(Cc1nnc(N)o1)cc2;Nc1oc(Cc2ccc(Cl)cc2)nn1;c1cc(ccc1Cc2nnc(o2)N)Cl","InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)","","2016-02-26","2017-02-17","5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine","2017-02-22"],["RP2","(2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol\n2-sulfide","C10 H11 Br N5 O5 P S","Brc2nc1c(ncnc1n2C4OC3COP(=S)(OC3C4O)O)N;Nc1ncnc2n([CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C4C(O3)COP(=S)(O4)O)O)N","InChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22-/m1/s1","8-Bromoadenosine-3',5'-cyclic monophosphorothioate","2010-11-21","2020-06-17","(2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide",""],["RP3","3-deoxy-5-O-phosphono-beta-D-ribofuranose","C5 H11 O7 P","OP(O)(=O)OCC1OC(C(C1)O)O;O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1O;C1C(OC(C1O)O)COP(=O)(O)O","InChI=1S/C5H11O7P/c6-4-1-3(12-5(4)7)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1","3'-deoxy-D-ribofuranose-5'-phosphate; 3-deoxy-5-O-phosphono-beta-D-ribose; 3-deoxy-5-O-phosphono-D-ribose;\n3-deoxy-5-O-phosphono-ribose","2015-07-28","2020-07-17","3-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose","2015-10-21"],["6AY","N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C13 H12 Cl N5","c1cc(Cl)ccc1CNc2c3c(ncn2)n(C)nc3;Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc12;Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl","InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)","","2016-02-26","2017-02-17","N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-02-22"],["RP4","(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID","C19 H18 O5 S","O=C(O)C3(O)C=C(c2cccc(Sc1ccccc1)c2)C(O)C(O)C3;O[CH]1C[C](O)(C=C([CH]1O)c2cccc(Sc3ccccc3)c2)C(O)=O;c1ccc(cc1)Sc2cccc(c2)C3=CC(CC(C3O)O)(C(=O)O)O","InChI=1S/C19H18O5S/c20-16-11-19(24,18(22)23)10-15(17(16)21)12-5-4-8-14(9-12)25-13-6-2-1-3-7-13/h1-10,16-17,20-21,24H,11H2,(H,22,23)/t16-,17-,19+/m1/s1","","2006-03-31","2011-06-04","(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylsulfanyl)phenyl]cyclohex-2-ene-1-carboxylic acid",""],["6AZ","6-azidouridine 5'-(dihydrogen phosphate)","C9 H12 N5 O9 P","[N-]=[N+]=NC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2N=[N+]=[N-];C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N=[N+]=[N-]","InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1","6-AZIDO-UMP","2009-02-16","2024-09-27","6-azidouridine 5'-(dihydrogen phosphate)",""],["6B0","(2,3-dichlorophenyl)methanol","C7 H6 Cl2 O","OCc1cccc(Cl)c1Cl;OCc1cccc(Cl)c1Cl;c1cc(c(c(c1)Cl)Cl)CO","InChI=1S/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2","","2016-02-26","2017-03-03","(2,3-dichlorophenyl)methanol","2017-03-08"],["RP5","5-O-phosphono-beta-D-ribofuranose","C5 H11 O8 P","O=P(O)(O)OCC1OC(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1","[(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE; 5-O-phosphono-beta-D-ribose;\n5-O-phosphono-D-ribose; 5-O-phosphono-ribose","2003-04-30","2020-07-17","5-O-phosphono-beta-D-ribofuranose",""],["6B1","(5,6-dichloro-1H-benzimidazol-2-yl)methanol","C8 H6 Cl2 N2 O","c2(cc1nc(nc1cc2Cl)CO)Cl;OCc1[nH]c2cc(Cl)c(Cl)cc2n1;c1c2c(cc(c1Cl)Cl)nc([nH]2)CO","InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12)","","2016-02-26","2017-02-17","(5,6-dichloro-1H-benzimidazol-2-yl)methanol","2017-02-22"],["RP6","5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid","C14 H21 N O8","O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C;CC(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=C;CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)CC=C)O","InChI=1S/C14H21NO8/c1-3-4-7-10(19)9(15-6(2)17)13(11(20)8(18)5-16)23-12(7)14(21)22/h3,8-11,13,16,18-20H,1,4-5H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid","2010-10-27","2020-07-17","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid",""],["RP7","(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol","C6 H11 N O","CN1CC=CC(C1)O;CN1CC=C[CH](O)C1;CN1CC=CC(C1)O","InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1","","2020-02-18","2020-10-30","(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol","2020-11-04"],["6B2","N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide","C26 H30 Cl N3 O4 S","CC1=CC(=O)N(C)c2c1ccc(c2)N3C(=O)CCC(C3c4ccc(Cl)cc4)NS(=O)(=O)CC(C)C;CC(C)C[S](=O)(=O)N[CH]1CCC(=O)N([CH]1c2ccc(Cl)cc2)c3ccc4C(=CC(=O)N(C)c4c3)C;CC1=CC(=O)N(c2c1ccc(c2)N3C(C(CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C","InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1","","2016-02-29","2016-03-25","N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide","2016-03-30"],["6B3","2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid","C27 H18 N2 O4","c21ccccc1C(Nc3c2ccc(c3)NC(c4ccccc4c5c(cccc5)C(O)=O)=O)=O;OC(=O)c1ccccc1c2ccccc2C(=O)Nc3ccc4c(NC(=O)c5ccccc45)c3;c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O","InChI=1S/C27H18N2O4/c30-25(21-10-4-1-7-17(21)18-8-3-6-12-23(18)27(32)33)28-16-13-14-20-19-9-2-5-11-22(19)26(31)29-24(20)15-16/h1-15H,(H,28,30)(H,29,31)(H,32,33)","","2016-03-01","2016-06-17","2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid","2016-06-22"],["RP8","5-(aminomethyl)quinolin-2-amine","C10 H11 N3","n1c(ccc2c(cccc12)CN)N;NCc1cccc2nc(N)ccc12;c1cc(c2ccc(nc2c1)N)CN","InChI=1S/C10H11N3/c11-6-7-2-1-3-9-8(7)4-5-10(12)13-9/h1-5H,6,11H2,(H2,12,13)","","2014-02-26","2015-02-06","5-(aminomethyl)quinolin-2-amine","2015-02-11"],["RP9","~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide","C16 H13 Br N4 O2","Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1;c1ccc2c(c1)C(=O)N(C=N2)CCC(=O)Nc3ccc(cn3)Br","InChI=1S/C16H13BrN4O2/c17-11-5-6-14(18-9-11)20-15(22)7-8-21-10-19-13-4-2-1-3-12(13)16(21)23/h1-6,9-10H,7-8H2,(H,18,20,22)","","2022-12-05","2023-09-08","~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide","2023-09-13"],["6B4","1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea","C21 H26 N4 O2 S","O=C(N2C(c1c(SC)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3;CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc(N)cc3;CSc1ccccc1C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N","InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1","","2013-02-15","2014-02-14","1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea","2014-02-19"],["6B5","2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one","C16 H12 O6","c3cc(C=1Oc2c(C(=O)C=1)c(cc(c2)OC)O)cc(c3O)O;COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O","InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3","7,8-DIMETHYLALLOXAZINE; 6,7-DIMETHYLALLOXAZINE","2016-03-01","2020-06-17","2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one","2016-04-20"],["RPA","RHODOPINAL GLUCOSIDE","C46 H66 O7","O(C(CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(/C)C)C)C)CO)C)C)C)(C)C)C1OC(C(O)C(O)C1O)CO;CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(CO)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)CO)C)C)C","InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-25-38(6)27-16-30-40(32-47)29-11-10-19-35(3)21-13-23-37(5)24-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-16,18-27,29-30,41-45,47-51H,17,28,31-33H2,1-9H3/b11-10+,20-12?,21-13+,24-15+,25-14+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29-/t41-,42-,43+,44-,45+/m1/s1","","2001-05-03","2011-06-04","(3E)-20-hydroxy-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside",""],["6B6","platinum(4+) tetrahydroxide","H4 O4 Pt","O[Pt](O)(O)O;O[Pt](O)(O)O;O[Pt](O)(O)O","InChI=1S/4H2O.Pt/h4*1H2;/q;;;;+4/p-4","","2016-03-01","2016-12-02","platinum(4+) tetrahydroxide","2016-12-07"],["RPB","Rucaparib","C19 H18 F N3 O","Fc4cc2c1c(nc(c1CCNC2=O)c3ccc(cc3)CNC)c4;CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34;CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3","InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)","","2013-04-18","2014-09-05","8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one","2013-12-11"],["RPC","cytidine 3',5'-bis(dihydrogen phosphate)","C9 H15 N3 O11 P2","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2OP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(14)11-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H2,10,11,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1","","2012-12-11","2013-04-19","cytidine 3',5'-bis(dihydrogen phosphate)","2013-04-24"],["6B7","(2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid","C15 H23 N O6 S","CCCOC(=O)CS[CH]1[CH](C)C(=N[CH]1C(O)=O)[CH](C=O)[CH](C)O;CCCOC(=O)CSC1C(C(=NC1C(=O)O)C(C=O)C(C)O)C","InChI=1S/C15H23NO6S/c1-4-5-22-11(19)7-23-14-8(2)12(10(6-17)9(3)18)16-13(14)15(20)21/h6,8-10,13-14,18H,4-5,7H2,1-3H3,(H,20,21)/t8-,9-,10-,13+,14-/m1/s1","","2016-03-01","2024-09-27","(2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid","2016-10-05"],["RPD","(C8-R)-HYDANTOCIDIN 5'-PHOSPHATE","C13 H22 N3 O13 P","O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O;OCN(O)[CH](CCCN1C(=O)N[C]2(O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O)C(O)=O;C(CC(C(=O)O)N(CO)O)CN1C(=O)C2(C(C(C(O2)COP(=O)(O)O)O)O)NC1=O","InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7-,8-,9-,13+/m1/s1","[8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]\nPHOSPHATE","1999-07-08","2020-06-17","5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-D-norvaline",""],["6B8","(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C11 H17 N O4 S","OC(C=1C(C(C(C(C(O)C)C=O)N=1)C)SC)=O;CS[CH]1[CH](C)[CH](N=C1C(O)=O)[CH](C=O)[CH](C)O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC","InChI=1S/C11H17NO4S/c1-5-8(7(4-13)6(2)14)12-9(11(15)16)10(5)17-3/h4-8,10,14H,1-3H3,(H,15,16)/t5-,6-,7-,8-,10-/m1/s1","","2016-03-01","2024-09-27","(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid","2016-10-12"],["6B9","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid","C21 H13 N O5 S","O=C(O)c1cc(N=[C@H]S)ccc1C2=C4C(Oc3c2ccc(c3)O)=CC(=O)C=C4;OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N=CS;c1cc(c(cc1N=CS)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O","InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26)","","2016-03-01","2024-09-27","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid","2017-03-08"],["RPF","1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE","C31 H37 N3 O5","O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COc4ccc3c(NCCC3)c4)CNC5;COc1ccccc1COCCCOc2ccc(cc2)N3[CH](CNCC3=O)COc4ccc5CCCNc5c4;COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)COc4ccc5c(c4)NCCC5","InChI=1S/C31H37N3O5/c1-36-30-8-3-2-6-24(30)21-37-16-5-17-38-27-13-10-25(11-14-27)34-26(19-32-20-31(34)35)22-39-28-12-9-23-7-4-15-33-29(23)18-28/h2-3,6,8-14,18,26,32-33H,4-5,7,15-17,19-22H2,1H3/t26-/m0/s1","","2005-02-18","2011-06-04","(6S)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydroquinolin-7-yloxy)methyl]piperazin-2-one",""],["RPG","(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid","C20 H32 O4","CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O;CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O","InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1","PROSTAGLANDIN A1 (PGA1)","2017-08-17","2024-09-27","7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoic acid","2018-12-26"],["6BB","4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine","C20 H21 F N4 O","c3(c1ccncc1OCC2CCNCC2)cnn(c3)c4c(F)cccc4;Fc1ccccc1n2cc(cn2)c3ccncc3OCC4CCNCC4;c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F","InChI=1S/C20H21FN4O/c21-18-3-1-2-4-19(18)25-13-16(11-24-25)17-7-10-23-12-20(17)26-14-15-5-8-22-9-6-15/h1-4,7,10-13,15,22H,5-6,8-9,14H2","","2016-03-01","2016-05-27","4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine","2016-06-01"],["RPH","6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALDEHYDE","C9 H15 N O2","O=CC1NC2CC(O)CCC2C1;O[CH]1CC[CH]2C[CH](N[CH]2C1)C=O;C1CC(CC2C1CC(N2)C=O)O","InChI=1S/C9H15NO2/c11-5-7-3-6-1-2-8(12)4-9(6)10-7/h5-10,12H,1-4H2/t6-,7-,8+,9-/m0/s1","","1999-07-08","2011-06-04","(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carbaldehyde",""],["6BC","5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C14 H9 Cl N4 O","Oc1n2ncc(C#N)c2nc(Cl)c1Cc3ccccc3;c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl","InChI=1S/C14H9ClN4O/c15-12-11(6-9-4-2-1-3-5-9)14(20)19-13(18-12)10(7-16)8-17-19/h1-5,8,20H,6H2","","2011-03-11","2011-08-19","5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile",""],["RPI","phospho-arginine","C6 H15 N4 O5 P","N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NP(=O)(O)O","InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1","","2016-01-02","2024-09-27","(2~{S})-2-azanyl-5-[(~{N}-phosphonocarbamimidoyl)amino]pentanoic acid","2016-10-12"],["6BD","(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid","C17 H15 N O3","O=C(O)C(C)CON=C3/c1ccccc1c2c3cccc2;C[CH](CON=C1c2ccccc2c3ccccc13)C(O)=O;CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)O","InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1","(S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid","2009-04-06","2020-06-17","(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid",""],["RPJ","1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid","C21 H18 F N3 O3","c4cc(n1c(c(C(O)=O)cn1)OCCCc2cnc3ccccc23)ccc4F;OC(=O)c1cnn(c2ccc(F)cc2)c1OCCCc3c[nH]c4ccccc34;c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O","InChI=1S/C21H18FN3O3/c22-15-7-9-16(10-8-15)25-20(18(13-24-25)21(26)27)28-11-3-4-14-12-23-19-6-2-1-5-17(14)19/h1-2,5-10,12-13,23H,3-4,11H2,(H,26,27)","","2020-02-20","2020-07-10","1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid","2020-07-15"],["6BE","1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine","C23 H29 N5 O","c1ncc(OCC(C)C)c(c1)c2cn(nc2)c3ccc(cc3)N4CCN(CC4)C;CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(C)CC4;CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C","InChI=1S/C23H29N5O/c1-18(2)17-29-23-15-24-9-8-22(23)19-14-25-28(16-19)21-6-4-20(5-7-21)27-12-10-26(3)11-13-27/h4-9,14-16,18H,10-13,17H2,1-3H3","","2016-03-01","2016-05-27","1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine","2016-06-01"],["6BF","1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine","C25 H32 N6 O","c2ncc(OCC1CCNCC1)c(c2)c3cn(nc3)c4ccc(cc4)N5CCN(CC5)C;CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5;CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5","InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3","","2016-03-01","2016-05-27","1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine","2016-06-01"],["RPK","N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide","C19 H16 Cl N3 O2","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)=O;CC(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CC(=O)Nc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C19H16ClN3O2/c1-12(24)22-16-6-5-14-10-21-11-18(17(14)9-16)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)","","2023-08-22","2023-11-03","N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide","2023-11-08"],["RPL","(C8-S)-HYDANTOCIDIN 5'-PHOSPHATE","C13 H22 N3 O13 P","O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O;OCN(O)[CH](CCCN1C(=O)N[C]2(O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O)C(O)=O;C(CC(C(=O)O)N(CO)O)CN1C(=O)C2(C(C(C(O2)COP(=O)(O)O)O)O)NC1=O","InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1","[8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]\nPHOSPHATE","1999-07-08","2020-06-17","5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-L-norvaline",""],["6BG","6-bromo-6-deoxy-beta-D-glucopyranose","C6 H11 Br O5","BrCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CBr)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)Br","InChI=1S/C6H11BrO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1","6-bromo-6-deoxy-beta-D-glucose; 6-bromo-6-deoxy-D-glucose; 6-bromo-6-deoxy-glucose","2012-08-08","2020-07-17","6-bromo-6-deoxy-beta-D-glucopyranose","2012-10-12"],["RPM","5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid","C22 H21 N3 O3","C(COc2n(c1ccccc1)ncc2C(O)=O)Cc4cnc3ccc(cc34)C;Cc1ccc2[nH]cc(CCCOc3n(ncc3C(O)=O)c4ccccc4)c2c1;Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O","InChI=1S/C22H21N3O3/c1-15-9-10-20-18(12-15)16(13-23-20)6-5-11-28-21-19(22(26)27)14-24-25(21)17-7-3-2-4-8-17/h2-4,7-10,12-14,23H,5-6,11H2,1H3,(H,26,27)","","2020-02-20","2020-07-10","5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid","2020-07-15"],["6BH","N-[3-(benzyloxy)phenyl]-3-nitrobenzamide","C20 H16 N2 O4","O=[N+]([O-])c1cccc(c1)C(=O)Nc2cccc(c2)OCc3ccccc3;[O-][N+](=O)c1cccc(c1)C(=O)Nc2cccc(OCc3ccccc3)c2;c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]","InChI=1S/C20H16N2O4/c23-20(16-8-4-10-18(12-16)22(24)25)21-17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23)","","2015-09-24","2024-09-27","N-[3-(benzyloxy)phenyl]-3-nitrobenzamide","2016-09-21"],["RPN","(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL","C8 H8 N4 O3","[O-][N+](=O)c1ccc(cc1)C(O)C/N=[N+]=[N-];O[CH](CN=[N+]=[N-])c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(CN=[N+]=[N-])O)[N+](=O)[O-]","InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1","","2003-07-11","2011-06-04","(1R)-2-azido-1-(4-nitrophenyl)ethanol",""],["6BI","[(2~{R},3~{S},4~{R},5~{R})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C18 H28 Cl N6 O8 P","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NCCCCCCNC(=O)CCl)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)NCCCCCCNC(=O)CCl","InChI=1S/C18H28ClN6O8P/c19-7-12(26)20-5-3-1-2-4-6-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(33-18)8-32-34(29,30)31/h9-11,14-15,18,27-28H,1-8H2,(H,20,26)(H,21,22,23)(H2,29,30,31)/t11-,14-,15-,18-/m1/s1","","2021-07-26","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-[6-[6-(2-chloranylethanoylamino)hexylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-06-01"],["RPO","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside","C30 H51 N5 O14","O(C3C(OC2OC(CO)C(OCc1ccccc1)C(O)C2N)C(N)CC(N)C3O)C5OC(C(OC4OC(CN)C(O)C(O)C4N)C5O)CO;NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](OCc5ccccc5)[CH](O)[CH]4N)[CH]2O)[CH](N)[CH](O)[CH]1O;c1ccc(cc1)COC2C(OC(C(C2O)N)OC3C(CC(C(C3OC4C(C(C(O4)CO)OC5C(C(C(C(O5)CN)O)O)N)O)O)N)N)CO","InChI=1S/C30H51N5O14/c31-7-14-20(39)21(40)17(34)28(44-14)48-26-16(9-37)46-30(23(26)42)49-27-19(38)12(32)6-13(33)24(27)47-29-18(35)22(41)25(15(8-36)45-29)43-10-11-4-2-1-3-5-11/h1-5,12-30,36-42H,6-10,31-35H2/t12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1","","2012-07-31","2013-08-02","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside","2013-08-07"],["6BJ","N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide","C21 H17 N5 O","c2(c1ccncc1)cn(nc2)c3ccc(cc3)C(=O)NCc4ccccn4;O=C(NCc1ccccn1)c2ccc(cc2)n3cc(cn3)c4ccncc4;c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4","InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)","","2016-03-01","2016-05-27","N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide","2016-06-01"],["RPP","2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE","C10 H14 I N5 O4","IC2c1c(ncnc1N(N2)C3OC(C(O)C3O)CO)N;Nc1ncnc2N(N[CH](I)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)N(NC2I)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H14IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-7,10,15,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,7+,10-/m1/s1","","1999-12-01","2011-06-04","(3R)-3-iodo-1-beta-D-ribofuranosyl-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["6BK","2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one","C15 H10 O5","Oc1cc(ccc1O)C2=CC(=O)c3c(O2)cccc3O;Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2;c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O","InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H","","2016-03-02","2016-06-24","2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one","2016-06-29"],["RPQ","D-rhamnopyranose tetrazole","C6 H10 N4 O3","C[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12;CC1C(C(C(c2n1nnn2)O)O)O","InChI=1S/C6H10N4O3/c1-2-3(11)4(12)5(13)6-7-8-9-10(2)6/h2-5,11-13H,1H3/t2-,3-,4+,5+/m0/s1","","2016-12-20","2017-03-17","(5~{S},6~{S},7~{R},8~{S})-5-methyl-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol","2017-03-22"],["6BL","1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one","C11 H8 N2 O2","Cc3c2c1c(cccc1)C(=O)Oc2nn3;Cc1n[nH]c2OC(=O)c3ccccc3c12;Cc1c-2c([nH]n1)OC(=O)c3c2cccc3","InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13)","","2016-03-02","2016-06-24","1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one","2016-06-29"],["6BM","[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid","C5 H10 N O5 P","N1(O)CCCC(C1=O)P(O)(=O)O;ON1CCC[CH](C1=O)[P](O)(O)=O;C1CC(C(=O)N(C1)O)P(=O)(O)O","InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)/t4-/m0/s1","","2016-03-02","2017-02-17","[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid","2017-02-22"],["RPR","3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER","C27 H30 N4 O3","O=C(OC)C(Cc1cc(C(=[N@H])N)ccc1)C(NC(=O)c3ccc(c2cccc(c2)CN)cc3)C;COC(=O)[CH](Cc1cccc(c1)C(N)=N)[CH](C)NC(=O)c2ccc(cc2)c3cccc(CN)c3;CC(C(Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN","InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1","RPR128515","2000-05-22","2021-03-01","methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate",""],["RPS","PHTALIMIDE-RUTHENIUM COMPLEX","C20 H19 N2 O3 Ru S3","O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[Ru]675(C#[O+])S4CCS6CCS5CC4;O=C1NC(=O)c2cc(c([Ru]C#[O+])cc12)c3ccccn3.C4CSCCSCCS4;c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O","InChI=1S/C13H7N2O2.C6H12S3.CO.Ru/c16-12-9-5-4-8(7-10(9)13(17)15-12)11-3-1-2-6-14-11;1-2-8-5-6-9-4-3-7-1;1-2;/h1-3,5-7H,(H,15,16,17);1-6H2;;/q;;+1;","","2012-04-27","2014-09-05","carbonyl[1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium(1+)","2012-09-28"],["6BN","5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one","C26 H31 Cl2 N3 O5","c12c(cc(c(c1C(=O)N(CC2)CC3=C(C=C(C)NC3=O)CC)Cl)OC4CCN(CC4)C(=O)C(O)C)Cl;CCC1=C(CN2CCc3c(Cl)cc(OC4CCN(CC4)C(=O)[CH](C)O)c(Cl)c3C2=O)C(=O)NC(=C1)C;CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)C(C)O)Cl","InChI=1S/C26H31Cl2N3O5/c1-4-16-11-14(2)29-24(33)19(16)13-31-10-7-18-20(27)12-21(23(28)22(18)26(31)35)36-17-5-8-30(9-6-17)25(34)15(3)32/h11-12,15,17,32H,4-10,13H2,1-3H3,(H,29,33)/t15-/m1/s1","","2016-03-02","2016-04-29","5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one","2016-05-04"],["RPT","RIFAPENTINE","C47 H64 N4 O12","O=C5c6c3c(O)c(C=NN2CCN(C1CCCC1)CC2)c4c(O)c3c(O)c(c6OC5(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N4)C)C)C)C)C;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)c(C=NN5CCN(CC5)C6CCCC6)c(O)c4c3C2=O;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1","(2R,16S,17R,18R,19R,20S,21S,22S,23S)-8-{[(4-CYCLOPENTYLPIPERAZIN-1-YL)IMINO]METHYL}-5,6,9,17,19-PENTAHYDROXY-23-METHOXY\n-2,4,12,16,18,20,22-HEPTAMETHYL-1,11-DIOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA[1,11,13]TRIENOIMINO)NAPHTHO[2,1-B]FURAN-21-YL ACETATE; 3-(((4-CYCLOPENTYL-1-PIPERAZINYL)IMINO)METHYL)RIFAMYCIN","2005-07-27","2020-06-17","(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-{(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate",""],["6BP","HEXABROMOPLATINATE(IV)","Br6 Pt","Br[Pt](Br)(Br)(Br)(Br)Br;Br[Pt](Br)(Br)(Br)(Br)Br","InChI=1S/6BrH.Pt/h6*1H;/q;;;;;;+4/p-6","","2010-10-07","2025-11-10","hexabromoplatinum",""],["RPU","(3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid","C18 H19 N O6","CC(Cc1ccco1)C(=O)NC(CC(=O)O)c1ccc2OCOc2c1;C[CH](Cc1occc1)C(=O)N[CH](CC(O)=O)c2ccc3OCOc3c2;CC(Cc1ccco1)C(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3","InChI=1S/C18H19NO6/c1-11(7-13-3-2-6-23-13)18(22)19-14(9-17(20)21)12-4-5-15-16(8-12)25-10-24-15/h2-6,8,11,14H,7,9-10H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m1/s1","","2022-06-23","2022-07-01","(3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid","2022-07-06"],["6BQ","Phosphorylated josamycin","C42 H74 N O18 P","C1(O)C(CC(C(C(C(CC(OC(CCC=CC1)C)=O)OC(=O)C)OC)OC2C(OP(=O)(O)O)C(N(C)C)C(C(O2)C)OC3CC(O)(C(C(O3)C)OC(CC(C)C)=O)C)CCO)C;CO[CH]1[CH](CC(=O)O[CH](C)CCC=CC[CH](O)[CH](C)C[CH](CCO)[CH]1O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](OC(=O)CC(C)C)[CH](C)O3)[CH]([CH]2O[P](O)(O)=O)N(C)C)OC(C)=O;CC1CCC=CCC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O","InChI=1S/C42H74NO18P/c1-23(2)19-32(47)58-40-27(6)55-34(22-42(40,8)49)59-36-26(5)56-41(39(35(36)43(9)10)61-62(50,51)52)60-37-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)54-33(48)21-31(38(37)53-11)57-28(7)45/h12,14,23-27,29-31,34-41,44,46,49H,13,15-22H2,1-11H3,(H2,50,51,52)/b14-12+/t24-,25-,26-,27+,29+,30+,31-,34+,35+,36-,37+,38+,39-,40+,41+,42-/m1/s1","(2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate","2016-03-02","2021-03-13","(2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)","2017-04-26"],["6BR","threoninevanadate","C4 H8 N O7 V","NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O;C[CH](O[V]([O-])([O-])([O-])=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)O[V](=O)([O-])([O-])[O-]","InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8;;;;;/h2-3H,5H2,1H3,(H,7,8);;;;;/q-1;;3*-1;+1/t2-,3+;;;;;/m1...../s1","","2016-03-03","2025-07-23","trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-)","2016-06-15"],["RPV","5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid","C21 H18 N4 O3","c1cc(ccc1)n2ncc(C(O)=O)c2NC(CCc4c3c(cccc3)nc4)=O;OC(=O)c1cnn(c2ccccc2)c1NC(=O)CCc3c[nH]c4ccccc34;c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4","InChI=1S/C21H18N4O3/c26-19(11-10-14-12-22-18-9-5-4-8-16(14)18)24-20-17(21(27)28)13-23-25(20)15-6-2-1-3-7-15/h1-9,12-13,22H,10-11H2,(H,24,26)(H,27,28)","","2020-02-20","2020-07-10","5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid","2020-07-15"],["RPW","2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide","C15 H15 N5 O S2","Cc1sc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)nc1;Cc1cccc(n1)Nc2nc(cs2)CC(=O)Nc3ncc(s3)C","InChI=1S/C15H15N5OS2/c1-9-4-3-5-12(17-9)19-15-18-11(8-22-15)6-13(21)20-14-16-7-10(2)23-14/h3-5,7-8H,6H2,1-2H3,(H,16,20,21)(H,17,18,19)","","2022-12-06","2023-09-08","2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide","2023-09-13"],["6BS","3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide","C25 H31 N3 O","CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3c(cccc3)C;Cc1ccccc1c2ccc3nc(N)c(CCC(=O)NCCC(C)(C)C)cc3c2;Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C","InChI=1S/C25H31N3O/c1-17-7-5-6-8-21(17)18-9-11-22-20(15-18)16-19(24(26)28-22)10-12-23(29)27-14-13-25(2,3)4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H2,26,28)(H,27,29)","","2016-03-03","2016-03-25","3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide","2016-03-30"],["RPX","C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSANT DRUG","C52 H77 N O13","O=C2C(C)CC(C=CC=CC=C(C)C(OCC)CC4OC(O)(C(=O)C(=O)N3C(C(=O)OC(C(C)Cc1ccc(O)c(OC)c1)CC(=O)C(C)CC(C)C(O)C2OC)CCCC3)C(CC4)C)C;CCO[CH]1C[CH]2CC[CH](C)[C](O)(O2)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH](CC(=O)[CH](C)C[CH](C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C1C)[CH](C)Cc4ccc(O)c(OC)c4;CCOC1CC2CCC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(CC(C(C(C(=O)C(CC(C=CC=CC=C1C)C)C)OC)O)C)C)C(C)Cc4ccc(c(c4)OC)O)O)C","InChI=1S/C52H77NO13/c1-11-64-43-29-39-22-20-37(8)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(34(5)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(4)26-36(7)47(57)48(63-10)46(56)35(6)25-31(2)17-13-12-14-18-32(43)3/h12-14,17-18,21,23,28,31,33-37,39-40,43-44,47-48,54,57,61H,11,15-16,19-20,22,24-27,29-30H2,1-10H3/b14-12+,17-13+,32-18+/t31-,33-,34-,35-,36+,37-,39+,40+,43+,44+,47-,48+,52-/m1/s1","RAPX","1999-07-08","2020-06-17","(3S,6R,8S,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-21-ethoxy-9,27-dihydroxy-3-[(1R)-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-10-methoxy-6,8,12,14,20,26-hexamethyl-7,8,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",""],["6BT","[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol","C10 H13 N O","C1CNC(CO)c2c1cccc2;OC[CH]1NCCc2ccccc12;c1ccc2c(c1)CCNC2CO","InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1","","2016-03-03","2016-06-24","[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol","2016-06-29"],["6BU","N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide","C20 H20 N4 O3 S","c3(ccc2c(NC(C1CC1)=O)nnc2c3)c5cccc(NS(=O)(=O)C4CC4)c5;O=C(Nc1n[nH]c2cc(ccc12)c3cccc(N[S](=O)(=O)C4CC4)c3)C5CC5;c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5","InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)","","2016-03-04","2016-06-24","N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide","2016-06-29"],["RPZ","2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","C24 H23 Cl N4 O2","CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1;CNC(=O)CN1Cc2ccc(Cl)cc2[C]3(CCN(C3=O)c4cncc5ccccc45)C1;CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl","InChI=1S/C24H23ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h2-7,10-12H,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1","","2023-08-22","2023-11-03","2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","2023-11-08"],["RQ0","2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione","C58 H85 N O3","COC1=C(N)C(=O)C(=C(CC=C(C)CCC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O)C;CC1=C(C(=O)C(=C(C1=O)N)OC)CC=C(C)CCC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C58H85NO3/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)56(60)55(59)58(62-13)57(54)61/h20-21,23,25,27,29,31,33,35-39,41H,14-19,22,24,26,28,30,32,34,40,42,59H2,1-13H3/b36-20+,38-21+,44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+","","2021-06-07","2021-08-13","2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione","2021-08-18"],["6BV","(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol","C12 H22 O10 S","OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)SC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1","","2019-10-02","2020-08-14","(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol","2020-08-19"],["RQ1","5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid","C22 H21 N3 O3","c1cccc(c1)n2c(c(C(O)=O)cn2)OCCCCc4c3ccccc3nc4;OC(=O)c1cnn(c2ccccc2)c1OCCCCc3c[nH]c4ccccc34;c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4","InChI=1S/C22H21N3O3/c26-22(27)19-15-24-25(17-9-2-1-3-10-17)21(19)28-13-7-6-8-16-14-23-20-12-5-4-11-18(16)20/h1-5,9-12,14-15,23H,6-8,13H2,(H,26,27)","","2020-02-20","2020-07-10","5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid","2020-07-15"],["6BW","(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene","C15 H24","C1C=C(C)C2(C(C1)C)CC(C(=C)C)CC2;C[CH]1CCC=C(C)[C]12CC[CH](C2)C(C)=C;CC1CCC=C(C12CCC(C2)C(=C)C)C","InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1","","2016-03-04","2016-09-30","(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene","2016-10-05"],["RQ2","Ganciclovir triphosphate","C9 H16 N5 O13 P3","NC1=Nc2n(CO[CH](CO)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1COC(CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1","[[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-10-15","2021-05-28","[[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2021-06-02"],["6BX","(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid","C7 H15 N O5 S","O=S(O)(CC(CN1CCOCC1)O)=O;O[CH](CN1CCOCC1)C[S](O)(=O)=O;C1COCCN1CC(CS(=O)(=O)O)O","InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1","","2016-03-04","2017-03-03","(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid","2017-03-08"],["RQ3","2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID","C20 H23 N O4","O=C(O)C(Oc1ccc(cc1)CC(=O)Nc2cc(cc(c2)C)C)(C)C;Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1;Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C","InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)","","2000-11-29","2011-06-04","2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoic acid",""],["6BY","(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid","C7 H15 N O5 S","OS(CC(O)CN1CCOCC1)(=O)=O;O[CH](CN1CCOCC1)C[S](O)(=O)=O;C1COCCN1CC(CS(=O)(=O)O)O","InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1","","2016-03-04","2017-03-03","(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid","2017-03-08"],["RQ4","6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid","C17 H11 F3 N2 O2 S","Cc1c(cc(C(O)=O)c(n1)C(F)(F)F)c3scc(c2ccccc2)n3;Cc1nc(c(cc1c2scc(n2)c3ccccc3)C(O)=O)C(F)(F)F;Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3","InChI=1S/C17H11F3N2O2S/c1-9-11(7-12(16(23)24)14(21-9)17(18,19)20)15-22-13(8-25-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,23,24)","","2020-02-20","2020-07-10","6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid","2020-07-15"],["6BZ","8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C22 H22 Cl N7 O2","c2c(N1C=CN=C(C1=O)C)ccc(c2Cl)C=3C(N(c4c(C=3)cnc(n4)NC)CCCN)=O;CNc1ncc2C=C(C(=O)N(CCCN)c2n1)c3ccc(cc3Cl)N4C=CN=C(C)C4=O;CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC","InChI=1S/C22H22ClN7O2/c1-13-20(31)29(9-7-26-13)15-4-5-16(18(23)11-15)17-10-14-12-27-22(25-2)28-19(14)30(21(17)32)8-3-6-24/h4-5,7,9-12H,3,6,8,24H2,1-2H3,(H,25,27,28)","","2016-03-07","2016-05-20","8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","2016-05-25"],["RQ5","2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C21 H30 N6 O3","CC[CH](CO)Nc1nc(NCc2ccc(OCCO)cc2)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)OCCO","InChI=1S/C21H30N6O3/c1-4-16(12-29)24-21-25-19(18-20(26-21)27(13-23-18)14(2)3)22-11-15-5-7-17(8-6-15)30-10-9-28/h5-8,13-14,16,28-29H,4,9-12H2,1-3H3,(H2,22,24,25,26)/t16-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["6C0","methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate","C18 H16 Cl2 N2 O5","COC(c1c(c(c(cc1O)O)Cl)CCc2n(ccn2)Cc3oc(cc3)Cl)=O;COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3oc(Cl)cc3;COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O","InChI=1S/C18H16Cl2N2O5/c1-26-18(25)16-11(17(20)13(24)8-12(16)23)3-5-15-21-6-7-22(15)9-10-2-4-14(19)27-10/h2,4,6-8,23-24H,3,5,9H2,1H3","","2016-03-08","2016-04-29","methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate","2016-05-04"],["6C1","{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid","C13 H12 B Cl O3","c1(c(cccc1)OCc2cccc(Cl)c2)B(O)O;OB(O)c1ccccc1OCc2cccc(Cl)c2;B(c1ccccc1OCc2cccc(c2)Cl)(O)O","InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2","","2016-03-08","2024-09-27","{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid","2017-03-15"],["RQ6","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C22 H18 Cl F N4 O3","Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21;CNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O;CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F","InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-7-13(23)2-4-16(17)22(28)31)21(30)27-19-9-26-8-12-6-14(24)3-5-15(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["RQ7","6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid","C32 H25 N7 O3 S","N4(c1nc(c(cc1)c2cn(nc2)Cc3ccncc3)C(=O)O)Cc5c(CC4)cccc5C(=O)Nc6nc7c(s6)cccc7;OC(=O)c1nc(ccc1c2cnn(Cc3ccncc3)c2)N4CCc5cccc(C(=O)Nc6sc7ccccc7n6)c5C4;c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7","InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-6-1-2-7-27(26)43-32)24-5-3-4-21-12-15-38(19-25(21)24)28-9-8-23(29(36-28)31(41)42)22-16-34-39(18-22)17-20-10-13-33-14-11-20/h1-11,13-14,16,18H,12,15,17,19H2,(H,41,42)(H,35,37,40)","","2020-02-20","2020-10-16","6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid","2020-10-21"],["6C2","methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid","C9 H15 N O7","OC1C(OC(C(C1O)NC(=O)C)OC)C(O)=O;CO[CH]1O[CH]([CH](O)[CH](O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(C(OC1OC)C(=O)O)O)O","InChI=1S/C9H15NO7/c1-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16-2/h4-7,9,12-13H,1-2H3,(H,10,11)(H,14,15)/t4-,5-,6+,7+,9-/m1/s1","methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid; methyl 2-acetamido-2-deoxy-beta-D-glucosiduronic\nacid; methyl 2-acetamido-2-deoxy-D-glucosiduronic acid; methyl 2-acetamido-2-deoxy-glucosiduronic acid","2015-03-05","2020-07-17","methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid","2016-04-06"],["RQ8","3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine","C16 H14 Br F2 N3 O3","Brc1cc(CC(NC(=O)c2cc(cnc2)C(C)(F)F)C(=O)O)cnc1;CC(F)(F)c1cncc(c1)C(=O)N[CH](Cc2cncc(Br)c2)C(O)=O;CC(c1cc(cnc1)C(=O)NC(Cc2cc(cnc2)Br)C(=O)O)(F)F","InChI=1S/C16H14BrF2N3O3/c1-16(18,19)11-4-10(6-21-7-11)14(23)22-13(15(24)25)3-9-2-12(17)8-20-5-9/h2,4-8,13H,3H2,1H3,(H,22,23)(H,24,25)/t13-/m0/s1","","2022-06-23","2022-07-01","3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine","2022-07-06"],["6C3","6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE","C19 H13 Cl N2 O2","Clc1cc2C(=C(C(=O)Nc2cc1)c3onc(c3)C)c4ccccc4;Cc1cc(on1)C2=C(c3ccccc3)c4cc(Cl)ccc4NC2=O;Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4","InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)","","2006-08-14","2011-06-04","6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1H)-one",""],["RQ9","(2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C22 H27 Cl N8 O","CC[CH](CO)Nc1nc(NCc2ccn(n2)c3cccc(Cl)c3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccn(n3)c4cccc(c4)Cl","InChI=1S/C22H27ClN8O/c1-4-16(12-32)26-22-27-20(19-21(28-22)30(13-25-19)14(2)3)24-11-17-8-9-31(29-17)18-7-5-6-15(23)10-18/h5-10,13-14,16,32H,4,11-12H2,1-3H3,(H2,24,26,27,28)/t16-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["6C4","N-(cyclopentylmethyl)cyclopentanecarboxamide","C12 H21 N O","C2(C(=O)NCC1CCCC1)CCCC2;O=C(NCC1CCCC1)C2CCCC2;C1CCC(C1)CNC(=O)C2CCCC2","InChI=1S/C12H21NO/c14-12(11-7-3-4-8-11)13-9-10-5-1-2-6-10/h10-11H,1-9H2,(H,13,14)","","2016-03-09","2017-03-24","N-(cyclopentylmethyl)cyclopentanecarboxamide","2017-03-29"],["6C5","N-(cyclopentylmethyl)pyrrolidine-1-carboxamide","C11 H20 N2 O","C1CCCN1C(NCC2CCCC2)=O;O=C(NCC1CCCC1)N2CCCC2;C1CCC(C1)CNC(=O)N2CCCC2","InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14)","","2016-03-09","2017-03-24","N-(cyclopentylmethyl)pyrrolidine-1-carboxamide","2017-03-29"],["RQA","5'-O-sulfocytidine","C9 H13 N3 O8 S","C1(N=C(N)C=CN1C2C(O)C(C(COS(=O)(=O)O)O2)O)=O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)O)O)O","InChI=1S/C9H13N3O8S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H,16,17,18)/t4-,6-,7-,8-/m1/s1","","2020-02-20","2021-01-29","5'-O-sulfocytidine","2021-02-03"],["RQB","(3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","C17 H19 N3 O2","Cn1cc(CC2NC(=O)C3CCCN3C2=O)c2ccccc21;Cn1cc(C[CH]2NC(=O)[CH]3CCCN3C2=O)c4ccccc14;Cn1cc(c2c1cccc2)CC3C(=O)N4CCCC4C(=O)N3","InChI=1S/C17H19N3O2/c1-19-10-11(12-5-2-3-6-14(12)19)9-13-17(22)20-8-4-7-15(20)16(21)18-13/h2-3,5-6,10,13,15H,4,7-9H2,1H3,(H,18,21)/t13-,15-/m0/s1","","2023-08-22","2023-09-15","(3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","2023-09-20"],["6C6","N-cyclopentyladenosine 5'-(dihydrogen phosphate)","C15 H22 N5 O7 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC3CCCC3)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NC4CCCC4)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)NC4CCCC4","InChI=1S/C15H22N5O7P/c21-11-9(5-26-28(23,24)25)27-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1","","2012-07-13","2012-12-28","N-cyclopentyladenosine 5'-(dihydrogen phosphate)","2012-12-28"],["6C7","S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate","C5 H12 O6 P2 S","OP(O)(OP(O)(SCC=C(C)C)=O)=O;CC(C)=CCS[P](O)(=O)O[P](O)(O)=O;CC(=CCSP(=O)(O)OP(=O)(O)O)C","InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)","DMASPP; DMAPP; DMADP; Dimethylallyl pyrophosphate; dimethylallyl diphosphate;  isoprenyl pyrophosphate","2016-03-09","2020-07-15","S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate","2016-05-11"],["RQC","(3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid","C14 H17 N5 O4","O=C(O)C1CCN(C1)C(=O)CCC1=Nc2c(cnn2C)C(=O)N1;Cn1ncc2C(=O)NC(=Nc12)CCC(=O)N3CC[CH](C3)C(O)=O;Cn1c2c(cn1)C(=O)NC(=N2)CCC(=O)N3CCC(C3)C(=O)O","InChI=1S/C14H17N5O4/c1-18-12-9(6-15-18)13(21)17-10(16-12)2-3-11(20)19-5-4-8(7-19)14(22)23/h6,8H,2-5,7H2,1H3,(H,22,23)(H,16,17,21)/t8-/m1/s1","","2022-06-23","2022-07-01","(3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid","2022-07-06"],["RQD","methyl 4-fluoro-L-phenylalaninate","C10 H12 F N O2","c1(ccc(F)cc1)CC(N)C(OC)=O;COC(=O)[CH](N)Cc1ccc(F)cc1;COC(=O)C(Cc1ccc(cc1)F)N","InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1","","2020-02-20","2020-05-29","methyl 4-fluoro-L-phenylalaninate","2020-06-03"],["6C8","(2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one","C11 H13 N O2","O=C(C=Cc1cocc1)N2CCCC2;O=C(C=Cc1cocc1)N2CCCC2;c1cocc1C=CC(=O)N2CCCC2","InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+","","2016-03-09","2017-03-24","(2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one","2017-03-29"],["RQE","~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine","C21 H22 N10 O","Cn1cc(cn1)n2cnc3c(NCc4[nH]c5ccccc5n4)nc(nc23)N6CCOCC6;Cn1cc(cn1)n2cnc3c2nc(nc3NCc4[nH]c5ccccc5n4)N6CCOCC6","InChI=1S/C21H22N10O/c1-29-12-14(10-24-29)31-13-23-18-19(22-11-17-25-15-4-2-3-5-16(15)26-17)27-21(28-20(18)31)30-6-8-32-9-7-30/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,26)(H,22,27,28)","","2022-12-06","2023-09-08","~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine","2023-09-13"],["6C9","N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide","C10 H18 N2 O2","O=C(N1CCCC1)NCC2CCOC2;O=C(NC[CH]1CCOC1)N2CCCC2;C1CCN(C1)C(=O)NCC2CCOC2","InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1","","2016-03-09","2017-03-24","N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide","2017-03-29"],["RQF","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H22 Cl F N4 O3","Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NCCC)C(=O)c2ccc(Cl)cc21;CCCNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O;CCCNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F","InChI=1S/C24H22ClFN4O3/c1-2-7-28-22(31)13-30-12-20(19-9-15(25)3-5-18(19)24(30)33)23(32)29-21-11-27-10-14-8-16(26)4-6-17(14)21/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,28,31)(H,29,32)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["6CA","4'-{6-[4-(2-CARBOXYPHENYLAMINO)-PHENOXY]-HEXYLOXY}-BIPHENYL-4-CARBOXYLIC ACID","C32 H31 N O6","O=C(O)c1ccc(cc1)c4ccc(OCCCCCCOc2ccc(cc2)Nc3ccccc3C(=O)O)cc4;OC(=O)c1ccc(cc1)c2ccc(OCCCCCCOc3ccc(Nc4ccccc4C(O)=O)cc3)cc2;c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O","InChI=1S/C32H31NO6/c34-31(35)25-11-9-23(10-12-25)24-13-17-27(18-14-24)38-21-5-1-2-6-22-39-28-19-15-26(16-20-28)33-30-8-4-3-7-29(30)32(36)37/h3-4,7-20,33H,1-2,5-6,21-22H2,(H,34,35)(H,36,37)","","2006-01-25","2011-06-04","4'-[(6-{4-[(2-carboxyphenyl)amino]phenoxy}hexyl)oxy]biphenyl-4-carboxylic acid",""],["RQG","(5-methyl-1-benzofuran-3-yl)acetic acid","C11 H10 O3","C(Cc2c1cc(C)ccc1oc2)(O)=O;Cc1ccc2occ(CC(O)=O)c2c1;Cc1ccc2c(c1)c(co2)CC(=O)O","InChI=1S/C11H10O3/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13)","","2020-02-21","2021-02-19","(5-methyl-1-benzofuran-3-yl)acetic acid","2021-02-24"],["6CB","3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide","C23 H19 F N6 O","c4(cc(c3c(NC(=O)c1c(ccc(n1)c2ccccc2F)N)cncc3)cc(N)n4)C;Cc1cc(cc(N)n1)c2ccncc2NC(=O)c3nc(ccc3N)c4ccccc4F;Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N","InChI=1S/C23H19FN6O/c1-13-10-14(11-21(26)28-13)15-8-9-27-12-20(15)30-23(31)22-18(25)6-7-19(29-22)16-4-2-3-5-17(16)24/h2-12H,25H2,1H3,(H2,26,28)(H,30,31)","","2016-03-09","2016-04-01","3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide","2016-04-06"],["RQH","(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one","C15 H17 Cl N2 O2","CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2;CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl","InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1","Climbazole","2020-10-20","2020-11-27","(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one","2020-12-02"],["6CC","5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide","C9 H8 Cl N3 O2 S2","c2c(c1cc(c(Cl)cc1)S(=O)(=O)N)nc(N)s2;Nc1scc(n1)c2ccc(Cl)c(c2)[S](N)(=O)=O;c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl","InChI=1S/C9H8ClN3O2S2/c10-6-2-1-5(3-8(6)17(12,14)15)7-4-16-9(11)13-7/h1-4H,(H2,11,13)(H2,12,14,15)","","2016-03-10","2017-03-24","5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide","2017-03-29"],["RQI","2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid","C14 H11 F N4 O3 S","Fc1cc2[NH]cnc2cc1C(=O)NCCc1nc(cs1)C(=O)O;OC(=O)c1csc(CCNC(=O)c2cc3nc[nH]c3cc2F)n1;c1c(c(cc2c1nc[nH]2)F)C(=O)NCCc3nc(cs3)C(=O)O","InChI=1S/C14H11FN4O3S/c15-8-4-10-9(17-6-18-10)3-7(8)13(20)16-2-1-12-19-11(5-23-12)14(21)22/h3-6H,1-2H2,(H,16,20)(H,17,18)(H,21,22)","","2022-06-23","2022-07-01","2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid","2022-07-06"],["6CD","2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one","C20 H23 N5 O2","CC1c4c(C(N1)=O)cc(c2cccc3C(=O)N(C)C(=Nc23)NC(C)(C)C)n4;C[CH]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C)C(=Nc34)NC(C)(C)C;CC1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1","InChI=1S/C20H23N5O2/c1-10-15-13(17(26)21-10)9-14(22-15)11-7-6-8-12-16(11)23-19(24-20(2,3)4)25(5)18(12)27/h6-10,22H,1-5H3,(H,21,26)(H,23,24)/t10-/m1/s1","","2016-03-10","2016-06-17","2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one","2016-06-22"],["RQJ","deoxyproclavaminic acid","C8 H14 N2 O3","N1(C(C(=O)O)CCCN)C(=O)CC1;NCCC[CH](N1CCC1=O)C(O)=O;C1CN(C1=O)C(CCCN)C(=O)O","InChI=1S/C8H14N2O3/c9-4-1-2-6(8(12)13)10-5-3-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m0/s1","(2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid","2020-02-21","2021-02-19","(2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid","2021-02-24"],["6CE","5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine","C20 H24 N7 O6 P S","C3(C(C(CSP(NCCc2c1ccccc1nc2)(=O)O)OC3n4cnc5c4NC(=NC5=O)N)O)O;NC1=NC(=O)c2ncn([CH]3O[CH](CS[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O)c2N1;c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SCC3C(C(C(O3)n4cnc5c4NC(=NC5=O)N)O)O","InChI=1S/C20H24N7O6PS/c21-20-25-17-14(18(30)26-20)23-9-27(17)19-16(29)15(28)13(33-19)8-35-34(31,32)24-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,28-29H,5-6,8H2,(H2,24,31,32)(H3,21,25,26,30)/t13-,15-,16-,19-/m1/s1","TrpGMPS","2016-03-10","2020-06-17","5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine","2017-03-15"],["6CF","2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine","C10 H16 F2 N3 O12 P3","O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)C(F)(F)[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(C(F)(F)P(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H16F2N3O12P3/c11-10(12,29(20,21)27-30(22,23)24)28(18,19)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,18,19)(H,20,21)(H2,13,14,17)(H2,22,23,24)/t5-,6+,8+/m0/s1","","2011-04-19","2012-01-13","2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine",""],["RQK","(2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide","C20 H29 N5 O9","C[CH]1C[CH]2N(C1)C(=O)C(=C)NC(=O)[CH](C)N(O)C(=O)[CH]([CH](O)C(N)=O)N(C)C(=O)[CH](C)OC2=O;CC1CC2C(=O)OC(C(=O)N(C(C(=O)N(C(C(=O)NC(=C)C(=O)N2C1)C)O)C(C(=O)N)O)C)C","InChI=1S/C20H29N5O9/c1-8-6-12-20(32)34-11(4)18(30)23(5)13(14(26)15(21)27)19(31)25(33)10(3)16(28)22-9(2)17(29)24(12)7-8/h8,10-14,26,33H,2,6-7H2,1,3-5H3,(H2,21,27)(H,22,28)/t8-,10-,11-,12-,13-,14+/m0/s1","","2020-10-20","2021-02-26","(2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide","2021-03-03"],["RQL","(2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol","C21 H22 Cl2 N10 O","CC[CH](CO)Nc1nc(NCc2[nH]c3cc(Cl)c(Cl)cc3n2)c4ncn(c5cnn(C)c5)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)c3cnn(c3)C)NCc4[nH]c5cc(c(cc5n4)Cl)Cl","InChI=1S/C21H22Cl2N10O/c1-3-11(9-34)27-21-30-19(18-20(31-21)33(10-25-18)12-6-26-32(2)8-12)24-7-17-28-15-4-13(22)14(23)5-16(15)29-17/h4-6,8,10-11,34H,3,7,9H2,1-2H3,(H,28,29)(H2,24,27,30,31)/t11-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol","2023-09-13"],["6CG","5'-S-phosphono-5'-thioguanosine","C10 H14 N5 O7 P S","C=2(Nc1n(cnc1C(N=2)=O)C3C(C(C(CSP(O)(O)=O)O3)O)O)N;NC1=NC(=O)c2ncn([CH]3O[CH](CS[P](O)(O)=O)[CH](O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N","InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-24-23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","TrpGMPS hydrolysis product","2016-03-10","2024-09-27","5'-S-phosphono-5'-thioguanosine","2017-03-15"],["6CH","[(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate","C23 H32 N4 O3","CCCNC(=O)OC[CH]1C[CH]2CC[N]1C[CH]2c3cc(nn3C)c4ccc(OC)cc4;CCCNC(=O)OCC1CC2CCN1CC2c3cc(nn3C)c4ccc(cc4)OC","InChI=1S/C23H32N4O3/c1-4-10-24-23(28)30-15-18-12-17-9-11-27(18)14-20(17)22-13-21(25-26(22)2)16-5-7-19(29-3)8-6-16/h5-8,13,17-18,20H,4,9-12,14-15H2,1-3H3,(H,24,28)/t17-,18+,20-/m0/s1","","2016-04-05","2017-06-23","[(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate","2017-06-28"],["RQM","Fe(3)-Ni(1)-S(4) cluster","Fe4 Ni S4","[Fe]S[Fe].S1[Fe]S[Ni]S[Fe]1;[S]1([Fe]2[S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe]","InChI=1S/4Fe.Ni.4S","","2020-02-21","2022-10-28","","2022-11-02"],["6CI","5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide","C22 H20 N4 O3","COc1ccc(O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C;CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4cc(ccc4OC)O","InChI=1S/C22H20N4O3/c1-26(2)22(28)15-6-13(9-23-10-15)14-7-18-19(12-25-21(18)24-11-14)17-8-16(27)4-5-20(17)29-3/h4-12,27H,1-3H3,(H,24,25)","","2023-02-06","2024-10-04","5-[3-(2-methoxy-5-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide","2024-10-09"],["RQN","4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide","C15 H13 F2 N O3","CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F;CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O","InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)","","2020-10-20","2020-11-27","4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide","2020-12-02"],["6CJ","N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine","C33 H30 N2 O6 S","O(C1CCCCC1)c6ccc5SC=3N(C(=O)C(c2ccccc2)=CC=3C(=O)NC(C(O)=O)Cc4ccc(O)cc4)c5c6;OC(=O)[CH](Cc1ccc(O)cc1)NC(=O)C2=C3Sc4ccc(OC5CCCCC5)cc4N3C(=O)C(=C2)c6ccccc6;c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)NC(Cc6ccc(cc6)O)C(=O)O","InChI=1S/C33H30N2O6S/c36-22-13-11-20(12-14-22)17-27(33(39)40)34-30(37)26-19-25(21-7-3-1-4-8-21)31(38)35-28-18-24(15-16-29(28)42-32(26)35)41-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,18-19,23,27,36H,2,5-6,9-10,17H2,(H,34,37)(H,39,40)/t27-/m0/s1","","2016-03-11","2016-09-30","N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine","2016-10-05"],["RQO","4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide","C20 H18 Cl N3 O2","CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;CN(C)C(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C20H18ClN3O2/c1-24(2)20(26)14-6-7-15-11-22-12-18(17(15)10-14)23-19(25)9-13-4-3-5-16(21)8-13/h3-8,10-12H,9H2,1-2H3,(H,23,25)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide","2023-11-08"],["RQP","(5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione","C15 H19 F N2 O4","C(C2(Cc1ccc(cc1)F)C(=O)N(CCOC)C(N2)=O)CO;COCCN1C(=O)N[C](CCO)(Cc2ccc(F)cc2)C1=O;COCCN1C(=O)C(NC1=O)(CCO)Cc2ccc(cc2)F","InChI=1S/C15H19FN2O4/c1-22-9-7-18-13(20)15(6-8-19,17-14(18)21)10-11-2-4-12(16)5-3-11/h2-5,19H,6-10H2,1H3,(H,17,21)/t15-/m0/s1","","2020-02-21","2020-04-03","(5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione","2020-04-08"],["6CK","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","C16 H22 F3 N5 O15 P2","NC4=Nc3n(C1C(C(C(O1)COP(=O)(O)OP(O)(=O)OC2C(C(C(C(O2)C(F)(F)F)O)O)O)O)O)cnc3C(=O)N4;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)[CH](O)[CH]4O)C(F)(F)F)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C16H22F3N5O15P2/c17-16(18,19)10-7(27)6(26)9(29)14(37-10)38-41(33,34)39-40(31,32)35-1-3-5(25)8(28)13(36-3)24-2-21-4-11(24)22-15(20)23-12(4)30/h2-3,5-10,13-14,25-29H,1H2,(H,31,32)(H,33,34)(H3,20,22,23,30)/t3-,5-,6-,7+,8-,9+,10-,13-,14-/m1/s1","","2016-03-11","2016-08-12","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2016-08-17"],["6CL","6-CARBOXYLYSINE","C7 H15 N2 O4","O=C(O)C(CCCC(N)C(=O)O)[NH3+];N[CH](CCC[CH]([NH3+])C(O)=O)C(O)=O;C(CC(C(=O)O)[NH3+])CC(C(=O)O)N","InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+","","2005-08-08","2024-09-27","(1R,5S)-5-amino-1,5-dicarboxypentan-1-aminium",""],["RQQ","N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide","C17 H15 N3 O2","O=C(c1cc2nccnc2cc1)NCc3ccc(OC)cc3;COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1;COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3","InChI=1S/C17H15N3O2/c1-22-14-5-2-12(3-6-14)11-20-17(21)13-4-7-15-16(10-13)19-9-8-18-15/h2-10H,11H2,1H3,(H,20,21)","","2012-10-05","2014-09-05","N-(4-methoxybenzyl)quinoxaline-6-carboxamide","2013-06-26"],["RQR","(1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid","C13 H11 N3 O3 S","O=C(O)C1C=CC(C1)NC(=O)c1ncnc2sccc12;OC(=O)[CH]1C[CH](NC(=O)c2ncnc3sccc23)C=C1;c1csc2c1c(ncn2)C(=O)NC3CC(C=C3)C(=O)O","InChI=1S/C13H11N3O3S/c17-11(16-8-2-1-7(5-8)13(18)19)10-9-3-4-20-12(9)15-6-14-10/h1-4,6-8H,5H2,(H,16,17)(H,18,19)/t7-,8+/m1/s1","","2022-06-23","2022-07-01","(1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid","2022-07-06"],["6CM","N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE","C24 H47 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCC;CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)O","InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1","C6-CERAMIDE; N-HEXANOYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-HEXANOYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-HEXANOYLAMINO-1,3-OCTADEC-4-ENEDIOL","2005-11-28","2020-05-26","N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexanamide",""],["6CN","6-cyanouridine 5'-phosphate","C10 H12 N3 O9 P","N#CC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C#N;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C#N","InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1","","2008-10-23","2024-09-27","6-cyanouridine 5'-(dihydrogen phosphate)",""],["RQS","N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide","C20 H16 N4 O","n1cnc(c2c1ncc2)c4ccc(CNC(=O)c3ccccc3)cc4;O=C(NCc1ccc(cc1)c2ncnc3[nH]ccc23)c4ccccc4;c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3","InChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24)","","2020-02-24","2020-12-11","N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide","2020-12-16"],["RQT","~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide","C16 H15 N3 O","CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23;CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3","InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20)","","2020-10-20","2024-09-27","~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide","2020-12-02"],["6CO","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](phenyl)iron","C40 H37 Fe N4 O4","c1ccc(cc1)[Fe]357N2C=8C(CCC(O)=O)=C(C2=CC4=N3C(C(=C4C=C)C)=Cc6n5c(c(c6C=C)C)C=C9N7=C(C=8)C(CCC(O)=O)=C9C)C;CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe]([N]5C(=CC6=NC(=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C)c7ccccc7;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C","InChI=1S/C34H34N4O4.C6H5.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-2-4-6-5-3-1;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1-5H;/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;","","2016-03-14","2016-09-16","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](phenyl)iron","2016-09-21"],["RQU","~{N}-[2-(2-methoxyphenyl)ethyl]-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanamide","C31 H34 N8 O2","COc1ccccc1CCNC(=O)CNc2nc(NCc3ccc(cc3)c4ccccn4)c5ncn(C(C)C)c5n2;CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)NCC(=O)NCCc5ccccc5OC","InChI=1S/C31H34N8O2/c1-21(2)39-20-36-28-29(34-18-22-11-13-23(14-12-22)25-9-6-7-16-32-25)37-31(38-30(28)39)35-19-27(40)33-17-15-24-8-4-5-10-26(24)41-3/h4-14,16,20-21H,15,17-19H2,1-3H3,(H,33,40)(H2,34,35,37,38)","","2022-12-06","2023-09-08","~{N}-[2-(2-methoxyphenyl)ethyl]-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanamide","2023-09-13"],["6CP","6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE","C18 H20 Cl N5 O","Clc1cccc(c1)Nc3nc(OCC2CCCCC2)c4c(n3)ncn4;Clc1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1;c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3","InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)","","2002-07-21","2011-06-04","N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine",""],["6CQ","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron","C41 H39 Fe N4 O4","c9([Fe]426N1=C7C(CCC(=O)O)=C(C1=Cc3n2c(c(c3C=C)C)C=C5N4=C(C(=C5[C@H]=C)C)C=C8N6C(=C7)C(=C8C)CCC(O)=O)C)cc(C)ccc9;Cc1cccc(c1)[Fe]2[N]3C4=CC5=NC(=Cc6n2c(C=C7N=C(C=C3C(=C4C)CCC(O)=O)C(=C7C)CCC(O)=O)c(C=C)c6C)C(=C5C)C=C;Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C","InChI=1S/C34H34N4O4.C7H7.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-7-5-3-2-4-6-7;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2-3,5-6H,1H3;/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;","","2016-03-14","2016-09-16","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron","2016-09-21"],["RQV","N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide","C23 H22 N4 O2","c1(C#N)ccc2c(c1)nc(cc2CN3CCOCC3)c4ccc(NC(=O)C)cc4;CC(=O)Nc1ccc(cc1)c2cc(CN3CCOCC3)c4ccc(cc4n2)C#N;CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4","InChI=1S/C23H22N4O2/c1-16(28)25-20-5-3-18(4-6-20)22-13-19(15-27-8-10-29-11-9-27)21-7-2-17(14-24)12-23(21)26-22/h2-7,12-13H,8-11,15H2,1H3,(H,25,28)","","2020-02-24","2021-02-19","N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide","2021-02-24"],["RQW","(1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C23 H26 N4 O4 S2","COC[CH]1CN(Cc2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4ccc5ncsc5c4;COCC1CN(C(=O)C2CCCC1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5","InChI=1S/C23H26N4O4S2/c1-31-14-16-12-26(13-17-5-2-3-10-24-17)23(28)21-7-4-6-20(16)27(21)33(29,30)18-8-9-19-22(11-18)32-15-25-19/h2-3,5,8-11,15-16,20-21H,4,6-7,12-14H2,1H3/t16-,20-,21+/m1/s1","(1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2020-10-20","2021-11-05","(1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2021-11-10"],["6CR","6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine","C10 H12 Cl N5 O4","Clc3nc(nc1c3ncn1C2OC(C(O)C2O)CO)N;Nc1nc(Cl)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1;c1nc2c(n1C3C(C(C(O3)CO)O)O)nc(nc2Cl)N","InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1","","2012-01-20","2012-09-21","6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine","2012-09-21"],["RQX","2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione","C15 H21 N O3","O=C1C(=C(C(=O)C(=C1OC)N)C)CC=C(/C)CCC;CCCC(C)=CCC1=C(C)C(=O)C(=C(OC)C1=O)N;CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)N)C)C","InChI=1S/C15H21NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7H,5-6,8,16H2,1-4H3/b9-7+","","2012-04-25","2012-07-06","2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione",""],["6CS","(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID","C6 H10 N2 O3","O=C(O)C1N=C(NCC1O)C;CC1=N[CH]([CH](O)CN1)C(O)=O;CC1=NC(C(CN1)O)C(=O)O","InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1","","2007-06-15","2011-06-04","(4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid",""],["RQY","2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole","C23 H29 N3","C1(CCNCC1)c4ccc3nc(c2cc(nc(C)c2)C)c(c3c4)C(C)C;CC(C)c1c([nH]c2ccc(cc12)C3CCNCC3)c4cc(C)nc(C)c4;Cc1cc(cc(n1)C)c2c(c3cc(ccc3[nH]2)C4CCNCC4)C(C)C","InChI=1S/C23H29N3/c1-14(2)22-20-13-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-15(3)25-16(4)12-19/h5-6,11-14,17,24,26H,7-10H2,1-4H3","","2020-02-24","2022-04-29","2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole","2022-05-04"],["6CT","PHOSPHORIC ACID MONO-[5-HYDROXYMETHYL-2-METHYL-3-THYMINYL-CYCLOPENTYLMETHYL]ESTER GROUP","C12 H19 N2 O7 P","O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O)C;C[CH]1[CH](CO[P](O)(O)=O)[CH](O)C[CH]1N2C=C(C)C(=O)NC2=O;CC1C(CC(C1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C","InChI=1/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1/f/h13,18-19H","","1999-07-08","2009-09-15","[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate",""],["RQZ","3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide","C17 H16 N4 O2","CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O;CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N","InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22)","","2020-10-20","2024-09-27","3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide","2020-12-02"],["6CU","(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole","C21 H26 N2","CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C;CC[C]1(C)CC[CH]2[CH]([CH]1[N+]#[C-])c3c([nH]c4ccccc34)C2(C)C;CCC1(CCC2C(C1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C","InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1","12-epi-fischerindole U","2016-03-14","2020-06-17","(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole","2016-06-29"],["6CV","3-bromo-L-phenylalanine","C9 H10 Br N O2","Brc1cccc(CC(N)C(O)=O)c1;N[CH](Cc1cccc(Br)c1)C(O)=O;c1cc(cc(c1)Br)CC(C(=O)O)N","InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2016-03-15","2024-09-27","3-bromo-L-phenylalanine","2016-10-26"],["RR0","(2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide","C20 H14 Cl F N2 O2","Fc1ccc2c(c1)cncc2NC(=O)C12CC(C1)Oc1ccc(Cl)cc12;Fc1ccc2c(NC(=O)C34CC(C3)Oc5ccc(Cl)cc45)cncc2c1;c1cc2c(cc1F)cncc2NC(=O)C34CC(C3)Oc5c4cc(cc5)Cl","InChI=1S/C20H14ClFN2O2/c21-12-1-4-18-16(6-12)20(7-14(8-20)26-18)19(25)24-17-10-23-9-11-5-13(22)2-3-15(11)17/h1-6,9-10,14H,7-8H2,(H,24,25)/t14-,20-","","2023-08-22","2023-11-03","(2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide","2023-11-08"],["RR1","5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID","C19 H16 N8 O10 S3","O=S(=O)(O)c4ccccc4/N=N/c2c(O)c1c(cc(cc1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3)N)N;Nc1nc(N)nc(Nc2cc(cc3cc(c(N=Nc4ccccc4[S](O)(=O)=O)c(O)c23)[S](O)(=O)=O)[S](O)(=O)=O)n1;c1ccc(c(c1)N=Nc2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+","REACTIVE RED 1 DYE","2001-03-07","2021-03-01","5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",""],["6CW","6-CHLORO-L-TRYPTOPHAN","C11 H11 Cl N2 O2","O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2;N[CH](Cc1c[nH]c2cc(Cl)ccc12)C(O)=O;c1cc2c(cc1Cl)[nH]cc2CC(C(=O)O)N","InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1","","2005-09-22","2024-09-27","6-chloro-L-tryptophan",""],["6CX","5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine","C18 H25 N9 O5","c2nc1n(cnc1c(n2)N)C4C(C(C(CN(Cc3cncn3)CCC(C(O)=O)N)O4)O)O;N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4c[nH]cn4)C(O)=O;c1c(nc[nH]1)CN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H25N9O5/c19-10(18(30)31)1-2-26(4-9-3-21-6-22-9)5-11-13(28)14(29)17(32-11)27-8-25-12-15(20)23-7-24-16(12)27/h3,6-8,10-11,13-14,17,28-29H,1-2,4-5,19H2,(H,21,22)(H,30,31)(H2,20,23,24)/t10-,11+,13+,14+,17+/m0/s1","","2016-03-15","2017-03-24","5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine","2017-03-29"],["RR2","(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium","C84 H50 N16 Ru2","n2c%14cc(ccc%14nc3c%13c%12c1n(cccc1c23)[Ru]%117(n6cccc5ccc4cccn7c4c56)(n9c8c%10c(ccc8ccc9)cccn%10%11)n%12ccc%13)c%16ccc%15nc%17c%20c%19c%18c(c%17nc%15c%16)cccn%18[Ru]%24%28(n%19ccc%20)(n%22c%21c%23c(ccc%21ccc%22)cccn%23%24)n%26cccc%25ccc%27c(c%25%26)n%28ccc%27;[Ru]|1|2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8ccc9cccn|2c9c78)|n%10cccc%11c%10c%12n|3cccc%12c%13nc%14cc(ccc%14nc%11%13)c%15ccc%16nc%17c%18cccn%19|[Ru]|%20|%21(|n%22cccc%23ccc%24cccn|%20c%24c%22%23)(|n%25cccc%26ccc%27cccn|%21c%27c%25%26)|n%28cccc(c%28c%18%19)c%17nc%16c%15;c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12","InChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-18H;4*1-8H;;","","2012-10-05","2014-02-28","(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium","2014-03-05"],["RR3","1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide","C15 H14 N6 O2 S","N#CCc1ccc(cc1)CS(=O)(=O)Nc1ncnc2cnn(C)c12;Cn1ncc2ncnc(N[S](=O)(=O)Cc3ccc(CC#N)cc3)c12;Cn1c2c(cn1)ncnc2NS(=O)(=O)Cc3ccc(cc3)CC#N","InChI=1S/C15H14N6O2S/c1-21-14-13(8-19-21)17-10-18-15(14)20-24(22,23)9-12-4-2-11(3-5-12)6-7-16/h2-5,8,10H,6,9H2,1H3,(H,17,18,20)","","2022-06-23","2022-07-01","1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide","2022-07-06"],["6CY","5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile","C28 H24 N6 O3","C5N(C(=O)C)CCN(C(=O)c1cc(ccc1)c2ncnc4c2cc(c3cc(c(OC)nc3)C#N)cc4)C5;COc1ncc(cc1C#N)c2ccc3ncnc(c4cccc(c4)C(=O)N5CCN(CC5)C(C)=O)c3c2;CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N","InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3","","2016-03-15","2016-08-05","5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile","2016-08-10"],["6CZ","5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine","C19 H27 N7 O8","n3c(c1c(n(cn1)C2OC(CN(CCC(C(=O)O)N)CC(C(=O)OCC)=O)C(C2O)O)nc3)N;CCOC(=O)C(=O)CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCOC(=O)C(=O)CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C19H27N7O8/c1-2-33-19(32)10(27)5-25(4-3-9(20)18(30)31)6-11-13(28)14(29)17(34-11)26-8-24-12-15(21)22-7-23-16(12)26/h7-9,11,13-14,17,28-29H,2-6,20H2,1H3,(H,30,31)(H2,21,22,23)/t9-,11+,13+,14+,17+/m0/s1","","2016-03-16","2017-03-10","5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine","2017-03-15"],["RR5","(2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid","C19 H24 Cl2 N2 O5 S","CC[CH]1CN([CH](C)C(O)=O)C(=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3;CCC1CN(C(=O)C2CCCC1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)C(C)C(=O)O","InChI=1S/C19H24Cl2N2O5S/c1-3-12-10-22(11(2)19(25)26)18(24)17-6-4-5-16(12)23(17)29(27,28)15-8-13(20)7-14(21)9-15/h7-9,11-12,16-17H,3-6,10H2,1-2H3,(H,25,26)/t11-,12-,16+,17-/m0/s1","(2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid","2020-10-20","2021-10-29","(2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid","2021-11-03"],["RR6","3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID","C35 H25 N9 O22 S6","O=S(=O)(O)c7cc(/N=N/c2c(O)c1ccc(c(c1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3ncnc(n3)Nc4c(c6c(cc4)c(O)c(/N=N/c5cc(ccc5O)S(=O)(=O)O)c(c6)S(=O)(=O)O)S(=O)(=O)O)c(O)cc7;Oc1ccc(cc1N=Nc2c(O)c3ccc(Nc4ncnc(Nc5ccc6c(O)c(N=Nc7cc(ccc7O)[S](O)(=O)=O)c(cc6c5[S](O)(=O)=O)[S](O)(=O)=O)n4)c(c3cc2[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)N=Nc7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O","InChI=1S/C35H25N9O22S6/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40)/b43-41+,44-42+","AZO-DYE RR6 HAPTEN","2000-07-14","2021-03-01","2,2'-(1,3,5-triazine-2,4-diyldiimino)bis{5-hydroxy-6-[(E)-(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid}",""],["6D0","5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine","C17 H24 Br N7 O6","O=C(O)C(CCN(CC(CBr)=O)CC3OC(n1cnc2c(N)ncnc12)C(C3O)O)N;N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)CC(=O)CBr)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CC(=O)CBr)O)O)N","InChI=1S/C17H24BrN7O6/c18-3-8(26)4-24(2-1-9(19)17(29)30)5-10-12(27)13(28)16(31-10)25-7-23-11-14(20)21-6-22-15(11)25/h6-7,9-10,12-13,16,27-28H,1-5,19H2,(H,29,30)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1","","2016-03-16","2017-03-10","5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine","2017-03-15"],["RR7","2-deoxy-beta-D-arabino-hexopyranose","C6 H12 O5","C1(CC(O)C(C(CO)O1)O)O;OC[CH]1O[CH](O)C[CH](O)[CH]1O;C1C(C(C(OC1O)CO)O)O","InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1","2-deoxy-alpha-D-glucopyranose","2020-02-24","2021-02-23","2-deoxy-beta-D-arabino-hexopyranose","2020-07-29"],["6D1","5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine","C16 H24 Cl N7 O5","NC(C(=O)O)CCN(CCCl)CC1OC(C(O)C1O)n2cnc3c2ncnc3N;N[CH](CCN(CCCl)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CCCl)O)O)N","InChI=1S/C16H24ClN7O5/c17-2-4-23(3-1-8(18)16(27)28)5-9-11(25)12(26)15(29-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,15,25-26H,1-5,18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1","","2016-03-16","2017-03-10","5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine","2017-03-15"],["6D2","5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine","C18 H30 N10 O5","C(CN(CCC(C(O)=O)N)CC1C(O)C(O)C(O1)n3c2c(c(ncn2)N)nc3)CNC(=N)N;N[CH](CCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCNC(=N)N)CCC(C(=O)O)N)O)O)N","InChI=1S/C18H30N10O5/c19-9(17(31)32)2-5-27(4-1-3-23-18(21)22)6-10-12(29)13(30)16(33-10)28-8-26-11-14(20)24-7-25-15(11)28/h7-10,12-13,16,29-30H,1-6,19H2,(H,31,32)(H2,20,24,25)(H4,21,22,23)/t9-,10+,12+,13+,16+/m0/s1","","2016-03-16","2017-03-10","5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine","2017-03-15"],["RR8","(3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}","C24 H22 Cl F N4 O5 S","O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(Cl)cc3)CN(S(=O)(=O)C)C4;C[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4;CS(=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl","InChI=1S/C24H22ClFN4O5S/c1-36(34,35)29-13-18(23(32)27-16-7-5-15(25)6-8-16)19(14-29)24(33)28-21-10-9-17(12-20(21)26)30-11-3-2-4-22(30)31/h2-12,18-19H,13-14H2,1H3,(H,27,32)(H,28,33)/t18-,19-/m0/s1","","2010-04-15","2011-06-04","(3R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide",""],["6D3","(2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)","C22 H33 N11 O7","O=C(O)C(N)CCN(CC1OC(C(O)C1O)n2cnc3c2ncnc3N)CCCn4nnc(c4)CC(C(O)=O)N;N[CH](CCN(CCCn1cc(C[CH](N)C(O)=O)nn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1c(nnn1CCCN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CC(C(=O)O)N","InChI=1S/C22H33N11O7/c23-12(21(36)37)2-5-31(3-1-4-32-7-11(29-30-32)6-13(24)22(38)39)8-14-16(34)17(35)20(40-14)33-10-28-15-18(25)26-9-27-19(15)33/h7,9-10,12-14,16-17,20,34-35H,1-6,8,23-24H2,(H,36,37)(H,38,39)(H2,25,26,27)/t12-,13-,14+,16+,17+,20+/m0/s1","","2016-03-16","2017-03-10","(2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)","2017-03-15"],["RR9","6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one","C23 H28 N8 O2","CC[CH](CO)Nc1nc(NCC2=CC=C(C(=O)N2)c3ccccn3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCC3=CC=C(C(=O)N3)c4ccccn4","InChI=1S/C23H28N8O2/c1-4-15(12-32)28-23-29-20(19-21(30-23)31(13-26-19)14(2)3)25-11-16-8-9-17(22(33)27-16)18-7-5-6-10-24-18/h5-10,13-15,32H,4,11-12H2,1-3H3,(H,27,33)(H2,25,28,29,30)/t15-/m1/s1","","2022-12-06","2023-09-08","6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one","2023-09-13"],["RRA","prop-2-yn-1-amine","C3 H5 N","C#CCN;NCC#C;C#CCN","InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2","","2011-04-25","2012-07-17","prop-2-yn-1-amine",""],["6D4","5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine","C16 H28 N10 O5","C(CN(CCC(C(O)=O)N)CC3C(C(C(n2c1ncnc(c1nc2)N)O3)O)O)NNN;NNNCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CCNNN)O)O)N","InChI=1S/C16H28N10O5/c17-8(16(29)30)1-3-25(4-2-23-24-19)5-9-11(27)12(28)15(31-9)26-7-22-10-13(18)20-6-21-14(10)26/h6-9,11-12,15,23-24,27-28H,1-5,17,19H2,(H,29,30)(H2,18,20,21)/t8-,9+,11+,12+,15+/m0/s1","","2016-03-16","2017-03-10","5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine","2017-03-15"],["RRB","[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","C22 H27 N5 O9 S","N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4cc(CO)cc(N)c34;c1cc(ccc1CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O","InChI=1S/C22H27N5O9S/c23-14-6-12(8-28)7-16-18(14)27(10-25-16)22-20(31)19(30)17(36-22)9-35-37(33,34)26-21(32)15(24)5-11-1-3-13(29)4-2-11/h1-4,6-7,10,15,17,19-20,22,28-31H,5,8-9,23-24H2,(H,26,32)/t15-,17+,19+,20+,22+/m0/s1","","2020-10-20","2020-10-23","[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate","2020-10-28"],["6D5","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid","C17 H26 N10 O5","N[CH](CCN(CCCN=[N+]=[N-])C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCN=[N+]=[N-])CCC(C(=O)O)N)O)O)N","InChI=1S/C17H26N10O5/c18-9(17(30)31)2-5-26(4-1-3-24-25-20)6-10-12(28)13(29)16(32-10)27-8-23-11-14(19)21-7-22-15(11)27/h7-10,12-13,16,28-29H,1-6,18H2,(H,30,31)(H2,19,21,22)/t9-,10+,12+,13+,16+/m0/s1","","2016-03-16","2018-02-27","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid","2017-03-15"],["RRC","R-ROSCOVITINE","C19 H26 N6 O","n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc3ccccc3;CC[CH](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3","InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1","","2003-09-09","2011-06-04","(2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol",""],["6D6","5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine","C17 H28 N8 O5","C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)N;NCCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCN)CCC(C(=O)O)N)O)O)N","InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1","","2016-03-16","2024-09-27","5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine","2017-03-15"],["RRD","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H21 Cl N4 O4","O=C(CN1CC(C(=O)Nc2cncc3ccccc32)c2cc(Cl)ccc2C1=O)NC1COC1;Clc1ccc2C(=O)N(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)NC5COC5;c1ccc2c(c1)cncc2NC(=O)C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC5COC5","InChI=1S/C24H21ClN4O4/c25-15-5-6-18-19(7-15)20(10-29(24(18)32)11-22(30)27-16-12-33-13-16)23(31)28-21-9-26-8-14-3-1-2-4-17(14)21/h1-9,16,20H,10-13H2,(H,27,30)(H,28,31)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["6D7","(R)-orteronel","C18 H17 N3 O2","C3(c1cc2c(cc1)cc(C(NC)=O)cc2)(CCn4cncc34)O;CNC(=O)c1ccc2cc(ccc2c1)[C]3(O)CCn4cncc34;CNC(=O)c1ccc2cc(ccc2c1)C3(CCn4c3cnc4)O","InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1","6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide","2016-03-16","2020-06-17","6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide","2017-03-15"],["RRE","fac-tricarbonyl-triaqua rhenium(I)","C3 O6 Re","O.O.O.[Re+].C=O.C=O.C=O;[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]","InChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q;;;;;;+4/p-3","","2019-05-10","2019-06-14","tris($l^{1}-oxidanyl)-tris(oxidanylidenemethyl)rhenium(1+)","2019-06-19"],["6D8","VT-464","C18 H17 F4 N3 O3","c2c(c(cc3cc(C(c1cnnn1)(C(C)C)O)ccc23)OC(F)F)OC(F)F;CC(C)[C](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c3c[nH]nn3;CC(C)C(c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O","InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1","(1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol","2016-03-16","2021-03-13","(1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol","2017-03-15"],["6DA","N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine","C28 H25 N7 O S","C(CNc6nc5c(cc(n4cnc3cnc2c(cc(c1ccccc1)nc2)c34)cc5)s6)N7CCOCC7;C(CN1CCOCC1)Nc2sc3cc(ccc3n2)n4cnc5cnc6cnc(cc6c45)c7ccccc7;c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7","InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)","","2016-03-17","2016-08-18","N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine","2016-08-23"],["RRF","(1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C18 H15 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]cnc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc[nH]4)C(=O)O","InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/m1/s1","","2022-06-23","2022-07-01","(1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["RRG","(2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid","C24 H24 O3","O=C(O)C(Oc1ccc(cc1)c2ccccc2C(C)C)Cc3ccccc3;CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=O)cc2;CC(C)c1ccccc1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O","InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m0/s1","","2012-03-23","2013-01-18","(2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid","2013-01-18"],["6DB","octopine","C9 H18 N4 O4","O=C(O)C(NC(C(O)=O)CCCNC(=N)N)C;C[CH](N[CH](CCCNC(N)=N)C(O)=O)C(O)=O;CC(C(=O)O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1","","2016-03-17","2016-11-25","N~2~-[(1R)-1-carboxyethyl]-L-arginine","2016-11-30"],["6DC","N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide","C19 H19 N5 O3 S","CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(N(C=N3)C)=O;CCC[S](=O)(=O)Nc1cccc(Nc2ccc3N=CN(C)C(=O)c3c2)c1C#N;CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C","InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3","","2016-03-17","2016-08-05","N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide","2016-08-10"],["RRH","(2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid","C24 H24 O3","O=C(O)C(Oc1ccc(cc1)c2ccccc2C(C)C)Cc3ccccc3;CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=O)cc2;CC(C)c1ccccc1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O","InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1","","2012-03-23","2013-01-18","(2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid","2013-01-18"],["6DD","N-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-L-glutamic acid","C22 H21 N5 O7","O=C(O)C(NC(=O)c1ccc(cc1)N(C=O)Cc3cc2c(nc(nc2O)N)cc3)CCC(=O)O;Nc1nc(O)c2cc(CN(C=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)ccc2n1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O","InChI=1S/C22H21N5O7/c23-22-25-16-6-1-12(9-15(16)20(32)26-22)10-27(11-28)14-4-2-13(3-5-14)19(31)24-17(21(33)34)7-8-18(29)30/h1-6,9,11,17H,7-8,10H2,(H,24,31)(H,29,30)(H,33,34)(H3,23,25,26,32)/t17-/m0/s1","","2014-07-01","2015-04-10","N-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-L-glutamic acid","2015-04-15"],["RRI","1-indol-1-ylethanone","C10 H11 N O","CC(=O)N1CCc2ccccc12;CC(=O)N1CCc2c1cccc2","InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3","","2022-12-06","2022-12-23","1-(2,3-dihydroindol-1-yl)ethanone","2022-12-28"],["RRJ","4-chloro-4-deoxy-alpha-D-galactopyranose","C6 H11 Cl O5","OC1C(C(C(C(O1)CO)Cl)O)O;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1Cl;C(C1C(C(C(C(O1)O)O)O)Cl)O","InChI=1S/C6H11ClO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1","","2020-02-24","2021-02-23","4-chloro-4-deoxy-alpha-D-galactopyranose","2020-07-29"],["6DE","1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","C14 H15 Cl N2 O2","Clc1ccccc1n2nc(c(c2C)C(=O)OCC)C;CCOC(=O)c1c(C)nn(c1C)c2ccccc2Cl;CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C","InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3","","2004-11-30","2011-06-04","ethyl 1-(2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate",""],["RRK","(1R,2R)-1,2-diphenylethane-1,2-diamine","C14 H16 N2","C(C(c1ccccc1)N)(c2ccccc2)N;N[CH]([CH](N)c1ccccc1)c2ccccc2;c1ccc(cc1)C(C(c2ccccc2)N)N","InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1","","2015-08-21","2017-10-06","(1R,2R)-1,2-diphenylethane-1,2-diamine","2017-10-11"],["6DF","[6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate","C16 H19 N2 O5 P","C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)c2ccccc2;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)c2ccccc2)O","InChI=1S/C16H19N2O5P/c1-11(13-6-4-3-5-7-13)18-9-15-14(10-23-24(20,21)22)8-17-12(2)16(15)19/h3-9,11,19H,10H2,1-2H3,(H2,20,21,22)/b18-9+/t11-/m1/s1","","2016-03-18","2016-07-22","[6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate","2016-07-27"],["RRM","(2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid","C32 H48 O7","O=C(O)C=CC(C)C(O)/C=C/C(=C/CC2OC1(OC(C=CC(=CC(=O)O)C)C(CC1)CCCC)CCC2C)C;CCCC[CH]1CC[C]2(CC[CH](C)[CH](CC=C(C)C=C[CH](O)[CH](C)C=CC(O)=O)O2)O[CH]1C=CC(C)=CC(O)=O;CCCCC1CCC2(CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)OC1C=CC(=CC(=O)O)C","InChI=1S/C32H48O7/c1-6-7-8-26-18-20-32(39-29(26)15-11-23(3)21-31(36)37)19-17-25(5)28(38-32)14-10-22(2)9-13-27(33)24(4)12-16-30(34)35/h9-13,15-16,21,24-29,33H,6-8,14,17-20H2,1-5H3,(H,34,35)(H,36,37)/b13-9+,15-11+,16-12+,22-10+,23-21+/t24-,25-,26-,27-,28+,29-,32-/m0/s1","","2014-06-13","2014-09-26","(2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid","2014-10-01"],["6DG","(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine","C19 H19 F2 N5 O","c1c(F)c(cc(c1)F)C2OCC(CC2N)N3Cc5c(C3)c4n(cccn4)n5;N[CH]1C[CH](CO[CH]1c2cc(F)ccc2F)N3Cc4nn5cccnc5c4C3;c1cnc2c3c(nn2c1)CN(C3)C4CC(C(OC4)c5cc(ccc5F)F)N","InChI=1S/C19H19F2N5O/c20-11-2-3-15(21)13(6-11)18-16(22)7-12(10-27-18)25-8-14-17(9-25)24-26-5-1-4-23-19(14)26/h1-6,12,16,18H,7-10,22H2/t12-,16+,18-/m1/s1","","2016-03-17","2016-05-06","(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine","2016-05-11"],["RRO","5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C5 H3 Br N2 O4","O=C1NC(C(=O)O)=C(Br)C(=O)N1;OC(=O)C1=C(Br)C(=O)NC(=O)N1;C1(=C(NC(=O)NC1=O)C(=O)O)Br","InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)","5-bromoorotic acid","2012-11-19","2020-06-17","5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-20"],["6DH","3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol","C11 H11 F3 N2 O","FC(F)(F)c1ccc2nc(nc2c1)CCCO;OCCCc1[nH]c2cc(ccc2n1)C(F)(F)F;c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO","InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)","","2013-12-13","2014-05-09","3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol","2014-05-14"],["RRP","3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE","C20 H19 Cl N4 O3 S2","O=C2N(Cc1cc(C(=[N@H])N)ccc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4;NC(=N)c1cccc(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)c1;c1cc(cc(c1)C(=N)N)CN2CCN(CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl","InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)","","2003-01-27","2011-06-04","3-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide",""],["6DJ","(3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol","C11 H20 N2 O3 S","N(=C1SCC2N1CC(O)C(O)C2O)CCCC;CCCCN=C1SC[CH]2[CH](O)[CH](O)[CH](O)CN12;CCCCN=C1N2CC(C(C(C2CS1)O)O)O","InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1","","2013-07-26","2014-04-11","(3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol","2014-04-16"],["RRQ","4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid","C33 H41 Cl N4 O6 S2","CNc1cc(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)ccc1C(O)=O;CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5","InChI=1S/C33H41ClN4O6S2/c1-35-32-20-26(8-15-31(32)33(39)40)22-37(21-25-16-18-36-19-17-25)45(41,42)29-11-13-30(14-12-29)46(43,44)38(28-4-2-3-5-28)23-24-6-9-27(34)10-7-24/h6-15,20,25,28,35-36H,2-5,16-19,21-23H2,1H3,(H,39,40)","","2016-12-06","2017-01-26","4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid","2017-02-01"],["6DK","9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide","C15 H20 F3 N O3","OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F;c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O","InChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20)","","2016-03-24","2016-11-25","9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide","2016-11-30"],["6DL","5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one","C14 H9 Br F N3 O3","Oc1cc(O)c(cc1Br)C2=NNC(=O)N2c3ccccc3F;c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F","InChI=1S/C14H9BrFN3O3/c15-8-5-7(11(20)6-12(8)21)13-17-18-14(22)19(13)10-4-2-1-3-9(10)16/h1-6,20-21H,(H,18,22)","","2016-03-30","2017-12-01","3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazol-5-one","2017-12-06"],["RRR","4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE","C18 H17 Cl N4 O3 S2","Clc4sc(/C=C/S(=O)(=O)N3CC(=O)N(Cc2cc1cnccc1n2)CC3)cc4;Clc1sc(cc1)C=C[S](=O)(=O)N2CCN(Cc3[nH]c4ccncc4c3)C(=O)C2;c1cc(sc1C=CS(=O)(=O)N2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl","InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+","","2003-01-29","2011-06-04","4-{[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one",""],["RRS","N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE","C25 H36 N4 O4","O=C(NO)CC(C(=O)NC3C(=O)NCCCCCCn2c1ccccc1c(c2)C3)CC(C)C;CC(C)C[CH](CC(=O)NO)C(=O)N[CH]1Cc2cn(CCCCCCNC1=O)c3ccccc23;CC(C)CC(CC(=O)NO)C(=O)NC1Cc2cn(c3c2cccc3)CCCCCCNC1=O","InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1","","1999-07-08","2011-06-04","(2R)-N~4~-hydroxy-2-(2-methylpropyl)-N~1~-[(10S)-9-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,12-(metheno)-1,8-benzodiazacyclotetradecin-10-yl]butanediamide",""],["6DM","6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose","C12 H22 O11","C(C1C(O)C(O)C(O)C(O1)O)OC2C(C(O)C(C(O2)CO)O)O;OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12+/m1/s1","alpha 1,6 mannobiose","2016-02-19","2020-07-17","6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose","2016-12-21"],["RRT","(R)-RETRO-THIORPHAN","C12 H15 N O3 S","O=C(O)CC(=O)NC(Cc1ccccc1)CS;OC(=O)CC(=O)N[CH](CS)Cc1ccccc1;c1ccc(cc1)CC(CS)NC(=O)CC(=O)O","InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1","3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID","2005-04-08","2021-03-01","3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid",""],["6DN","(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid","C8 H16 N2 O4","N[CH](CCCCNCC(O)=O)C(O)=O;C(CCNCC(=O)O)CC(C(=O)O)N","InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1","","2016-03-30","2024-09-27","(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid","2017-10-11"],["RRU","1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","C26 H23 Cl N4 O3 S","N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1;Clc1ccc2CN(C[C]3(CCN(C3=O)c4cncc5ccccc45)c2c1)[S](=O)(=O)CC6(CC6)C#N;c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N","InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/m1/s1","","2023-08-22","2023-11-03","1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","2023-11-08"],["6DO","(2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid","C39 H65 N5 O8","CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O)OC)N(C)C(=O)[CH](NC(=O)[CH](NC)C(C)C)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC","InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1","","2016-03-30","2016-08-12","(2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid","2016-08-17"],["RRV","(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide","C16 H25 N O4","O=C(NCCC(O)Cc1ccccc1)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCC[CH](O)Cc1ccccc1;CC(C)(CO)C(C(=O)NCCC(Cc1ccccc1)O)O","InChI=1S/C16H25NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,13-14,18-20H,8-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1","","2014-04-11","2024-09-27","(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide","2014-12-10"],["6DP","~{N}-(1~{H}-indazol-4-yl)methanesulfonamide","C8 H9 N3 O2 S","C[S](=O)(=O)Nc1cccc2[nH]ncc12;CS(=O)(=O)Nc1cccc2c1cn[nH]2","InChI=1S/C8H9N3O2S/c1-14(12,13)11-8-4-2-3-7-6(8)5-9-10-7/h2-5,11H,1H3,(H,9,10)","","2016-04-06","2016-06-02","~{N}-(1~{H}-indazol-4-yl)methanesulfonamide","2016-04-27"],["6DQ","2-pyridin-3-yl-1,3-benzothiazin-4-one","C13 H8 N2 O S","O=C1N=C(Sc2ccccc12)c3cccnc3;c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3","InChI=1S/C13H8N2OS/c16-12-10-5-1-2-6-11(10)17-13(15-12)9-4-3-7-14-8-9/h1-8H","","2016-04-11","2016-04-15","2-pyridin-3-yl-1,3-benzothiazin-4-one","2016-04-20"],["RRW","[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","C19 H29 N5 O8 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2c(cc(c3)CO)N)O)O)N","InChI=1S/C19H29N5O8S/c1-9(2)3-12(21)18(28)23-33(29,30)31-7-14-16(26)17(27)19(32-14)24-8-22-13-5-10(6-25)4-11(20)15(13)24/h4-5,8-9,12,14,16-17,19,25-27H,3,6-7,20-21H2,1-2H3,(H,23,28)/t12-,14+,16+,17+,19+/m0/s1","","2020-10-20","2020-10-23","[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2020-10-28"],["RRX","(3R)-beta,beta-caroten-3-ol","C40 H56 O","OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1","beta-Cryptoxanthin","2014-05-01","2021-03-01","(3R)-beta,beta-caroten-3-ol","2014-09-03"],["6DR","6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine","C21 H21 N5 O","n3c(c(C#CCc2cc(c1ccncc1)ccc2OC)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(ccc2OC)c3ccncc3;CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3","InChI=1S/C21H21N5O/c1-3-18-17(20(22)26-21(23)25-18)6-4-5-16-13-15(7-8-19(16)27-2)14-9-11-24-12-10-14/h7-13H,3,5H2,1-2H3,(H4,22,23,25,26)","","2011-06-08","2012-06-08","6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine",""],["RRY","1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose","C6 H10 Cl2 O4","OC1C(O)C(CCl)OC1(CCl)O;O[CH]1[CH](O)[C](O)(CCl)O[CH]1CCl;C(C1C(C(C(O1)(CCl)O)O)O)Cl","InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1","","2020-02-24","2021-02-23","1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose","2020-07-29"],["6DS","(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid","C29 H34 F6 O5","FC(F)(F)C(O)(/C=C/c1ccc(cc1C)C(c2ccc(OCC(O)CCC(=O)O)c(c2)C)(CC)CC)C(F)(F)F;CCC(CC)(c1ccc(OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c2;CCC(CC)(c1ccc(c(c1)C)C=CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OCC(CCC(=O)O)O","InChI=1S/C29H34F6O5/c1-5-26(6-2,22-9-11-24(19(4)16-22)40-17-23(36)10-12-25(37)38)21-8-7-20(18(3)15-21)13-14-27(39,28(30,31)32)29(33,34)35/h7-9,11,13-16,23,36,39H,5-6,10,12,17H2,1-4H3,(H,37,38)/b14-13+/t23-/m0/s1","","2012-11-02","2013-11-08","(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid","2013-11-13"],["6DT","N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine","C20 H16 N6 O","Cn1ccc2ncnc(Oc3ccc(Nc4[nH]c5ccccc5n4)cc3)c12;Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4","InChI=1S/C20H16N6O/c1-26-11-10-17-18(26)19(22-12-21-17)27-14-8-6-13(7-9-14)23-20-24-15-4-2-3-5-16(15)25-20/h2-12H,1H3,(H2,23,24,25)","","2016-04-11","2016-06-24","~{N}-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1~{H}-benzimidazol-2-amine","2016-06-29"],["RRZ","2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid","C18 H20 Cl2 N2 O5 S","OC(=O)CN1C[CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O;C=CC1CN(C(=O)C2CCCC1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O","InChI=1S/C18H20Cl2N2O5S/c1-2-11-9-21(10-17(23)24)18(25)16-5-3-4-15(11)22(16)28(26,27)14-7-12(19)6-13(20)8-14/h2,6-8,11,15-16H,1,3-5,9-10H2,(H,23,24)/t11-,15+,16-/m0/s1","((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid","2020-10-20","2021-11-05","2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid","2021-11-10"],["RS0","(1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C18 H15 N3 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]cnc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc[nH]4)C(=O)O","InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/m0/s1","","2022-06-23","2022-07-01","(1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["6DU","2-bromo-L-phenylalanine","C9 H10 Br N O2","O=C(C(N)Cc1c(Br)cccc1)O;N[CH](Cc1ccccc1Br)C(O)=O;c1ccc(c(c1)CC(C(=O)O)N)Br","InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2016-03-17","2024-09-27","2-bromo-L-phenylalanine","2016-10-26"],["6DV","N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","C20 H21 F2 N9 O","C4N(CCN(CCNc3nc(N)n1c(nc(n1)c2ccco2)n3)C4)c5ccc(cc5F)F;Nc1nc(NCCN2CCN(CC2)c3ccc(F)cc3F)nc4nc(nn14)c5occc5;c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F","InChI=1S/C20H21F2N9O/c21-13-3-4-15(14(22)12-13)30-9-7-29(8-10-30)6-5-24-19-26-18(23)31-20(27-19)25-17(28-31)16-2-1-11-32-16/h1-4,11-12H,5-10H2,(H3,23,24,25,26,27,28)","","2016-03-18","2016-06-24","N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","2016-06-29"],["RS1","4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE","C19 H20 Cl N O6 S","O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)CC3(C(=O)NO)CCOCC3;ONC(=O)C1(CCOCC1)C[S](=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2;c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO","InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)","","1999-07-08","2011-06-04","4-({[4-(4-chlorophenoxy)phenyl]sulfonyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide",""],["RS2","N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE","C19 H21 N O6 S","O=S(=O)(c2ccc(Oc1ccccc1)cc2)C3(CC(=O)NO)CCOCC3;ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccccc3)cc2;c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO","InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)","","1999-07-08","2011-06-04","N-hydroxy-2-{4-[(4-phenoxyphenyl)sulfonyl]tetrahydro-2H-pyran-4-yl}acetamide",""],["6DW","1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one","C28 H27 N7 O2","O=C1C(=CN(CC2CC2)N=C1c3ccnn3c4ccccc4)OCCN5CCn6c7ccccc7nc56;c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7","InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2","","2016-04-11","2016-06-24","1-(cyclopropylmethyl)-5-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethoxy]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one","2016-06-29"],["6DX","2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","C21 H25 N9 O","C2N(CCN(c1ccccc1)C2)CCCNc5nc(N)n3c(nc(n3)c4ccco4)n5;Nc1nc(NCCCN2CCN(CC2)c3ccccc3)nc4nc(nn14)c5occc5;c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N","InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27)","","2016-03-18","2016-06-24","2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","2016-06-29"],["RS3","1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol","C18 H23 N5 O6","O=C2N=C1N(c3cc(N(C)C)c(cc3N=C1C(=O)N2)C)CC(O)C(O)C(O)CO;CN(C)c1cc2N(C[CH](O)[CH](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=Nc2cc1C;Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O","InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1","Roseoflavin","2008-11-18","2020-06-17","1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol",""],["RS4","7-ethyl-10-hydroxycamptothecin","C22 H20 N2 O5","c32c(CC)c1c(ccc(c1)O)nc2C=4N(C3)C(C5=C(C=4)C(C(OC5)=O)(CC)O)=O;CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C](O)(CC)C(=O)OC4;CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O","InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1","(4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione","2020-02-24","2021-03-13","(4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione","2020-05-13"],["6DY","2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","C21 H24 N8 O","C1CN(CCC1c2ccccc2)CCNc5nc(N)n3c(nc(n3)c4ccco4)n5;Nc1nc(NCCN2CCC(CC2)c3ccccc3)nc4nc(nn14)c5occc5;c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N","InChI=1S/C21H24N8O/c22-19-25-20(26-21-24-18(27-29(19)21)17-7-4-14-30-17)23-10-13-28-11-8-16(9-12-28)15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H3,22,23,24,25,26,27)","","2016-03-18","2016-06-24","2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","2016-06-29"],["RS5","1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one","C23 H22 Cl2 N4 O3","CC(C)c1nn(c2N=C(Cc3ccc(OCCO)cc3)NC(=O)c12)c4c(Cl)cccc4Cl;CC(C)c1c2c(n(n1)c3c(cccc3Cl)Cl)N=C(NC2=O)Cc4ccc(cc4)OCCO","InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,30H,10-12H2,1-2H3,(H,26,27,31)","","2022-12-06","2023-09-08","1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one","2023-09-13"],["6DZ","2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","C15 H21 N9 O","n1c(nn3c1nc(NCCN2CCN(C)CC2)nc3N)c4ccco4;CN1CCN(CCNc2nc(N)n3nc(nc3n2)c4occc4)CC1;CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N","InChI=1S/C15H21N9O/c1-22-6-8-23(9-7-22)5-4-17-14-19-13(16)24-15(20-14)18-12(21-24)11-3-2-10-25-11/h2-3,10H,4-9H2,1H3,(H3,16,17,18,19,20,21)","","2016-03-18","2016-06-24","2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine","2016-06-29"],["6E0","octadecylphosphonic acid","C18 H39 O3 P","C(CCCCCCCCCCCCCC)CCCP(O)(=O)O;CCCCCCCCCCCCCCCCCC[P](O)(O)=O;CCCCCCCCCCCCCCCCCCP(=O)(O)O","InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)","","2016-03-18","2016-07-01","octadecylphosphonic acid","2016-07-06"],["RS6","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H22 Cl F N4 O3","Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21;CC(C)NC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O;CC(C)NC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F","InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["6E1","3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside","C28 H28 F8 N2 O12 S","c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F;COc1c(F)c(F)c(C(=O)N[CH]2[CH](O)[CH](CO)O[CH](S[CH]3O[CH](CO)[CH](O)[CH](NC(=O)c4c(F)c(F)c(OC)c(F)c4F)[CH]3O)[CH]2O)c(F)c1F;COc1c(c(c(c(c1F)F)C(=O)NC2C(C(OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F","InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1","","2016-03-18","2017-03-24","3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside","2017-03-29"],["RS7","(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID","C17 H20 O2","O=C(O)C=Cc1ccccc1C#CCCCCCC;CCCCCCC#Cc1ccccc1C=CC(O)=O;CCCCCCC#Cc1ccccc1C=CC(=O)O","InChI=1S/C17H20O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)13-14-17(18)19/h8-9,11-14H,2-6H2,1H3,(H,18,19)/b14-13+","","2007-07-10","2011-06-04","(2E)-3-(2-oct-1-yn-1-ylphenyl)prop-2-enoic acid",""],["RS8","N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine","C18 H17 N7 O5","O=C(O)C(NC(=O)CNC(=O)c1nc2c(nc1)C(=O)N=C(N)N2)Cc3ccccc3;NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N","InChI=1S/C18H17N7O5/c19-18-24-14-13(16(28)25-18)20-7-11(23-14)15(27)21-8-12(26)22-10(17(29)30)6-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,21,27)(H,22,26)(H,29,30)(H3,19,23,24,25,28)/t10-/m0/s1","","2012-11-09","2012-12-21","N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine","2012-12-21"],["6E2","2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide","C23 H28 N8 O4","COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5;COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5","InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)","","2016-04-12","2016-06-07","2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide","2016-04-20"],["RS9","(1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H17 N3 O5","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1;OCc1[nH]c2ccc(cc2n1)C(=O)N[CH]3[CH](Cc4c(O)cccc34)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc([nH]4)CO)C(=O)O","InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17-/m0/s1","","2022-06-23","2022-07-01","(1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["6E3","2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione","C10 H12 N2 O2","O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C;CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C;CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C","InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3","","2016-03-19","2024-09-27","2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione","2017-03-29"],["RSA","N-PROPARGYL-1(S)-AMINOINDAN","C12 H13 N","C#CCNC2c1ccccc1CC2;C#CCN[CH]1CCc2ccccc12;C#CCNC1CCc2c1cccc2","InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1","","2004-01-22","2011-06-04","(1S)-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine",""],["6E4","L-glutamamide","C5 H11 N3 O2","NC(CCC(N)C(N)=O)=O;N[CH](CCC(N)=O)C(N)=O;C(CC(=O)N)C(C(=O)N)N","InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)/t3-/m0/s1","","2016-03-21","2024-09-27","L-glutamamide","2016-04-06"],["RSB","(1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C24 H28 N4 O4 S2","COC[CH]1CN([CH](C)c2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4ccc5ncsc5c4;CC(c1ccccn1)N2CC(C3CCCC(C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC","InChI=1S/C24H28N4O4S2/c1-16(19-6-3-4-11-25-19)27-13-17(14-32-2)21-7-5-8-22(24(27)29)28(21)34(30,31)18-9-10-20-23(12-18)33-15-26-20/h3-4,6,9-12,15-17,21-22H,5,7-8,13-14H2,1-2H3/t16-,17+,21+,22-/m0/s1","(1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2020-10-20","2021-11-05","(1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2021-11-10"],["6E5","N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide","C29 H31 N5 O2 S2","s1cccc1C(=[N@H])Nc2cccc(c2)COCC5NCC(OCc3cc(ccc3)NC(=[N@H])c4sccc4)C5;N=C(Nc1cccc(COC[CH]2C[CH](CN2)OCc3cccc(NC(=N)c4sccc4)c3)c1)c5sccc5;c1cc(cc(c1)NC(=N)c2cccs2)COCC3CC(CN3)OCc4cccc(c4)NC(=N)c5cccs5","InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1","","2014-06-18","2014-08-15","N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide","2014-08-20"],["RSD","RESPINOMYCIN D","C51 H75 N2 O22","[O-][N+](=O)C2(C)CC(OC(C)C2OC1OC(C)C(O)C(O)(C)C1OC)OC5C(C(O)C4OC3=C6C(=O)C9=C(C(=O)C6C=CC3C5(O4)C)CC8=C(C(OC7OC(C)C(O)C(O)(C)C7OC)C(OC)C(O)(C)C8)C9O)[NH+](C)C;CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2[CH](OC)[C](C)(O)CC3=C2[CH](O)C4=C(C3)C(=O)[CH]5C=C[CH]6C(=C5C4=O)O[CH]7O[C]6(C)[CH](O[CH]8C[C](C)([CH](O[CH]9O[CH](C)[CH](O)[C](C)(O)[CH]9OC)[CH](C)O8)[N+]([O-])=O)[CH]([CH]7O)[NH+](C)C;CC1C(C(C(C(O1)OC2C(C(CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)OC7C(C(C(C6(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O","InChI=1S/C51H74N2O22/c1-19-37(58)49(6,61)42(66-12)45(69-19)73-36-27-22(17-48(5,60)41(36)65-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)72-44-34(57)30(52(9)10)40(51(25,8)75-44)71-26-18-47(4,53(63)64)39(21(3)68-26)74-46-43(67-13)50(7,62)38(59)20(2)70-46/h14-15,19-21,23,25-26,30,32,34,36-46,55,57-62H,16-18H2,1-13H3/p+1/t19-,20-,21+,23+,25-,26-,30-,32+,34-,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+/m0/s1","","2002-11-08","2011-06-04","(2R,3S,4S,5S,6R,6aS,8aR,12S,13S,14R,15R)-14-[(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)oxy]-3,12,15-trihydroxy-13-methoxy-N,N,6,12-tetramethyl-9,16-dioxo-5-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)-3-methyl-3-nitro-beta-D-ribo-hexopyranosyl]oxy}-3,4,5,6,6a,8a,9,10,11,12,13,14,15,16-tetradecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium",""],["6E6","1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","C26 H27 F3 N6 O2 S","c45c(c(NC1CCN(CC1)Cc2cc3c(cc2)n(c(c3)C#N)CC(O)CO)ncn4)cc(CC(F)(F)F)s5;OC[CH](O)Cn1c(cc2cc(CN3CCC(CC3)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc12)C#N;c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(CO)O)C#N","InChI=1S/C26H27F3N6O2S/c27-26(28,29)10-21-9-22-24(31-15-32-25(22)38-21)33-18-3-5-34(6-4-18)12-16-1-2-23-17(7-16)8-19(11-30)35(23)13-20(37)14-36/h1-2,7-9,15,18,20,36-37H,3-6,10,12-14H2,(H,31,32,33)/t20-/m1/s1","","2016-03-21","2016-03-25","1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile","2016-03-30"],["RSE","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate","C12 H21 N5 O13 P3 Se","CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P]([SeH])(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP(=O)(O)O)[SeH])O)OC","InChI=1S/C12H20N5O13P3Se/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1","","2016-10-28","2017-11-24","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate","2017-11-29"],["6E7","4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid","C20 H17 N3 O3","c1(cc(ccn1)C(NCCc2ccccc2)=O)c3nccc(C(=O)O)c3;OC(=O)c1ccnc(c1)c2cc(ccn2)C(=O)NCCc3ccccc3;c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O","InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)","","2016-03-21","2016-07-22","4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid","2016-07-27"],["RSF","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol","C6 H10 O3","OC1COC2OCCC12;O[CH]1CO[CH]2OCC[CH]12;C1COC2C1C(CO2)O","InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m0/s1","","2008-10-16","2011-06-04","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol",""],["6E8","5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C11 H12 N4 O","c2nn1C(=O)C(C(C)C)=C(C)Nc1c2C#N;CC(C)C1=C(C)Nc2n(ncc2C#N)C1=O;CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C","InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3","","2016-03-21","2016-07-22","5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2016-07-27"],["6E9","N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide","C16 H15 N3 O5 S","N1C(=O)C(=O)Nc2c1ccc(c2)S(=O)(=O)N(C)c3cc(ccc3)OC;COc1cccc(c1)N(C)[S](=O)(=O)c2ccc3NC(=O)C(=O)Nc3c2;CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3","InChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)","","2016-03-22","2017-01-06","N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide","2017-01-11"],["RSG","(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol","C6 H10 O3","OC1COC2OCCC12;O[CH]1CO[CH]2OCC[CH]12;C1COC2C1C(CO2)O","InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1","","2011-05-04","2011-09-16","(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol",""],["RSH","3-DEOXY-D-LYXO-HEXONIC ACID","C6 H12 O6","O=C(O)C(O)CC(O)C(O)CO;OC[CH](O)[CH](O)C[CH](O)C(O)=O;C(C(C(CO)O)O)C(C(=O)O)O","InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1","D-2-KETO-3-DEOXYGALACTONATE","2004-07-19","2024-09-27","3-deoxy-D-lyxo-hexonic acid",""],["6EA","(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE","C24 H21 N5 O","n1ccc(cc1)c2nc5c(cc2)c(OCC(N)Cc4c3ccccc3nc4)cnc5;N[CH](COc1cncc2nc(ccc12)c3ccncc3)Cc4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)CC(COc3cncc4c3ccc(n4)c5ccncc5)N","InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1","","2005-12-23","2011-06-04","(2S)-1-(1H-indol-3-yl)-3-[(2-pyridin-4-yl-1,7-naphthyridin-5-yl)oxy]propan-2-amine",""],["6EB","8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol","C15 H14 F3 N5 O2","c3(OCCCC(F)(F)F)nc(O)c2c(c(c1ncn(C)c1)ncc2)n3;Cn1cnc(c1)c2nccc3c(O)nc(OCCCC(F)(F)F)nc23;Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O","InChI=1S/C15H14F3N5O2/c1-23-7-10(20-8-23)12-11-9(3-5-19-12)13(24)22-14(21-11)25-6-2-4-15(16,17)18/h3,5,7-8H,2,4,6H2,1H3,(H,21,22,24)","","2016-03-22","2016-07-22","8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol","2016-07-27"],["RSI","2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine","C24 H27 N7 O","CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5;CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)N5CCOCC5","InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29)","","2022-12-06","2023-09-08","2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine","2023-09-13"],["6EC","5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid","C20 H16 N2 O4","OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc3)=O;OC(=O)c1cc(NC(=O)Nc2cccc(c2)c3ccccc3)ccc1O;c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O","InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)","","2016-03-22","2016-08-12","5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid","2016-08-17"],["RSK","(1S,2R)-1,2-diphenylethane-1,2-diamine","C14 H16 N2","N[CH]([CH](N)c1ccccc1)c2ccccc2;c1ccc(cc1)C(C(c2ccccc2)N)N","InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14+","","2015-09-03","2017-10-06","(1S,2R)-1,2-diphenylethane-1,2-diamine","2017-10-11"],["RSL","4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate","C18 H15 Cl N2 O4 S","Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OS(C)(=O)=O;C[S](=O)(=O)Oc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1;CS(=O)(=O)Oc1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-5-6-16-13(9-15)10-20-11-17(16)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)","","2023-08-22","2023-11-03","4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate","2023-11-08"],["6ED","3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid","C20 H20 F3 N5 O2","n3c(Nc1c(C(O)=O)ccnc1)c2c(ccc(c2)F)n3CCN4CCC(CC4)(F)F;OC(=O)c1ccncc1Nc2nn(CCN3CCC(F)(F)CC3)c4ccc(F)cc24;c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O","InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)","","2016-03-22","2016-07-22","3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid","2016-07-27"],["RSM","(2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide","C8 H16 N2 O3 S","O=C(NC(C(=O)NC)CCS(=O)C)C;CNC(=O)[CH](CC[S](C)=O)NC(C)=O;CC(=O)NC(CCS(=O)C)C(=O)NC","InChI=1S/C8H16N2O3S/c1-6(11)10-7(8(12)9-2)4-5-14(3)13/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-,14+/m0/s1","","2009-06-01","2011-06-04","(2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide",""],["6EE","(betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide","C30 H30 Cl F6 N5 O4","C1NC(COC1CCc2c(cncc2NC(=O)C(C(c3ccc(cc3)Cl)c4cc(cc(c4)F)F)N)F)COC(=O)NCC(F)(F)F;N[CH]([CH](c1ccc(Cl)cc1)c2cc(F)cc(F)c2)C(=O)Nc3cncc(F)c3CC[CH]4CN[CH](CO4)COC(=O)NCC(F)(F)F;c1cc(ccc1C(c2cc(cc(c2)F)F)C(C(=O)Nc3cncc(c3CCC4CNC(CO4)COC(=O)NCC(F)(F)F)F)N)Cl","InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1","","2016-03-22","2016-05-13","(betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide","2016-05-18"],["LPL","LEU-HYDROXYETHYLENE-LEU","C13 H27 N O3","O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C[CH](CC(C)C)C(O)=O;CC(C)CC(CC(C(CC(C)C)N)O)C(=O)O","InChI=1S/C13H27NO3/c1-8(2)5-10(13(16)17)7-12(15)11(14)6-9(3)4/h8-12,15H,5-7,14H2,1-4H3,(H,16,17)/t10-,11+,12+/m1/s1","","1999-07-08","2024-09-27","(2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid",""],["6EF","N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide","C38 H42 N4 O6","C(OC)(NC(C(=O)Nc3c(CCC1CNC(CO1)COC(=O)NCc2ccccc2)cccc3)C(c4ccccc4)c5ccccc5)=O;COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[CH]4CN[CH](CO4)COC(=O)NCc5ccccc5;COC(=O)NC(C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CCC4CNC(CO4)COC(=O)NCc5ccccc5","InChI=1S/C38H42N4O6/c1-46-38(45)42-35(34(29-16-7-3-8-17-29)30-18-9-4-10-19-30)36(43)41-33-20-12-11-15-28(33)21-22-32-24-39-31(25-47-32)26-48-37(44)40-23-27-13-5-2-6-14-27/h2-20,31-32,34-35,39H,21-26H2,1H3,(H,40,44)(H,41,43)(H,42,45)/t31-,32+,35-/m0/s1","","2016-03-22","2016-05-13","N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide","2016-05-18"],["LPM","6,8-DIMERCAPTO-OCTANOIC ACID AMIDE","C8 H17 N O S2","O=C(N)CCCCC(S)CCS;NC(=O)CCCC[CH](S)CCS;C(CCC(=O)N)CC(CCS)S","InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m1/s1","","1999-07-08","2011-06-04","(6R)-6,8-disulfanyloctanamide",""],["6EG","N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide","C34 H38 N4 O4","C(CC(NCc1ccc(cc1)N)CO)c2ccccc2NC(=O)C(NC(=O)OC)C(c3ccccc3)c4ccccc4;COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[CH](CO)NCc4ccc(N)cc4;COC(=O)NC(C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CCC(CO)NCc4ccc(cc4)N","InChI=1S/C34H38N4O4/c1-42-34(41)38-32(31(26-11-4-2-5-12-26)27-13-6-3-7-14-27)33(40)37-30-15-9-8-10-25(30)18-21-29(23-39)36-22-24-16-19-28(35)20-17-24/h2-17,19-20,29,31-32,36,39H,18,21-23,35H2,1H3,(H,37,40)(H,38,41)/t29-,32-/m0/s1","","2016-03-22","2016-05-13","N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide","2016-05-18"],["6EH","Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide","C24 H31 N3 O4","C3NCC(CCCNC(=O)C(C(c1ccccc1)c2ccccc2)NC(OC)=O)OC3;COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)NCCC[CH]3CNCCO3;COC(=O)NC(C(c1ccccc1)c2ccccc2)C(=O)NCCCC3CNCCO3","InChI=1S/C24H31N3O4/c1-30-24(29)27-22(23(28)26-14-8-13-20-17-25-15-16-31-20)21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-22,25H,8,13-17H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m1/s1","","2016-03-22","2016-05-13","Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide","2016-05-18"],["LPN","(3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide","C35 H41 Cl3 N2 O4","O=C(N(C1CC1)Cc2cc(ccc2Cl)CCCOC)C5C(c4ccc(OCCOc3c(Cl)cc(cc3Cl)C)cc4)CCNC5;COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[CH]3c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1;Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)C3CCNCC3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl","InChI=1S/C35H41Cl3N2O4/c1-23-18-32(37)34(33(38)19-23)44-17-16-43-28-10-6-25(7-11-28)29-13-14-39-21-30(29)35(41)40(27-8-9-27)22-26-20-24(4-3-15-42-2)5-12-31(26)36/h5-7,10-12,18-20,27,29-30,39H,3-4,8-9,13-17,21-22H2,1-2H3/t29-,30+/m1/s1","","2010-08-11","2011-06-04","(3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide",""],["LPO","(3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide","C33 H38 Cl3 N3 O5","O=C(N(C1CC1)Cc2cc(ccc2Cl)CCOC)C5C(O)(c4ccc(OCCOc3c(Cl)cc(cc3Cl)C)nc4)CCNC5;COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[C]3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1;Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3(CCNCC3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl","InChI=1S/C33H38Cl3N3O5/c1-21-15-28(35)31(29(36)16-21)44-14-13-43-30-8-4-24(18-38-30)33(41)10-11-37-19-26(33)32(40)39(25-5-6-25)20-23-17-22(9-12-42-2)3-7-27(23)34/h3-4,7-8,15-18,25-26,37,41H,5-6,9-14,19-20H2,1-2H3/t26-,33+/m1/s1","(3'S,4'R)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-4'-hydroxy-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide","2010-08-12","2021-03-13","(3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide",""],["6EI","(4-methylphenyl) hydrogen sulfate","C7 H8 O4 S","Cc1ccc(O[S](O)(=O)=O)cc1;Cc1ccc(cc1)OS(=O)(=O)O","InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)","p-Cresol sulfate","2021-07-26","2022-04-01","(4-methylphenyl) hydrogen sulfate","2022-04-06"],["LPP","2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE","C35 H69 O8 P","O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1","1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE; L-B,G-DIPALMITOYL-A-PHOSPHATIDIC ACID DISODIUM SALT; 3-SN-PHOSPHATIDIC ACID;\n1,2-DIPALMITOYLDISODIUM SALT","2000-12-14","2020-06-17","(2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate",""],["6EJ","(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one","C24 H26 F N5 O3","c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F;Fc1ccc2C=CC(=O)N3C[CH](CN4CCC(CC4)NCc5cc6OCCOc6nn5)c1c23;c1cc(c2c3c1C=CC(=O)N3CC2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F","InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1","","2016-03-23","2016-05-20","(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one","2016-05-25"],["6EK","(2S,3S)-2-{[(2S)-3-(2-amino-1H-imidazol-5-yl)-2-{[(2S,4S)-5-(carbamoyloxy)-4-hydroxy-2-({[(2S,3S)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1H-imidazol-5-yl)-3-hydroxypropanoic acid","C24 H35 Cl N10 O10","C(=O)(C(Cc1nc(N)nc1)NC(C(NC(C2NCCCC2O)=O)CC(COC(N)=O)O)=O)NC(C(O)=O)C(O)c3cnc(n3)Cl;NC(=O)OC[CH](O)C[CH](NC(=O)[CH]1NCCC[CH]1O)C(=O)N[CH](Cc2[nH]c(N)nc2)C(=O)N[CH]([CH](O)c3[nH]c(Cl)nc3)C(O)=O;c1c([nH]c(n1)N)CC(C(=O)NC(C(c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)C(CC(COC(=O)N)O)NC(=O)C3C(CCCN3)O","InChI=1S/C24H35ClN10O10/c25-22-29-7-13(34-22)17(38)16(21(42)43)35-19(40)11(4-9-6-30-23(26)31-9)32-18(39)12(5-10(36)8-45-24(27)44)33-20(41)15-14(37)2-1-3-28-15/h6-7,10-12,14-17,28,36-38H,1-5,8H2,(H2,27,44)(H,29,34)(H,32,39)(H,33,41)(H,35,40)(H,42,43)(H3,26,30,31)/t10-,11-,12-,14-,15-,16-,17+/m0/s1","","2016-03-23","2016-04-22","(2S,3S)-2-{[(2S)-3-(2-amino-1H-imidazol-5-yl)-2-{[(2S,4S)-5-(carbamoyloxy)-4-hydroxy-2-({[(2S,3S)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1H-imidazol-5-yl)-3-hydroxypropanoic acid (non-preferred name)","2016-04-27"],["LPQ","(3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide","C34 H39 Cl3 N4 O3","O=C(N(C1CC1)Cc2cc(ccc2Cl)CNC3CC3)C6C(c5ccc(OCCOc4c(Cl)cc(cc4Cl)C)nc5)CCNC6;Cc1cc(Cl)c(OCCOc2ccc(cn2)[CH]3CCNC[CH]3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(Cl)c1;Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3CCNCC3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl","InChI=1S/C34H39Cl3N4O3/c1-21-14-30(36)33(31(37)15-21)44-13-12-43-32-9-3-23(18-40-32)27-10-11-38-19-28(27)34(42)41(26-6-7-26)20-24-16-22(2-8-29(24)35)17-39-25-4-5-25/h2-3,8-9,14-16,18,25-28,38-39H,4-7,10-13,17,19-20H2,1H3/t27-,28+/m1/s1","(3'R,4'S)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid (2-chloro-5-cyclopropylaminomethyl-benzyl)-cyclopropyl-amide","2010-08-11","2021-03-13","(3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide",""],["6EL","2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione","C13 H10 N2 O4","O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1;c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1","","2016-05-11","2018-02-02","2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione","2018-02-07"],["LPR","[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE","C21 H31 N3 O5","O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2;NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O;c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O","InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1","LISINOPRIL","2002-11-25","2020-06-17","N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline",""],["LPS","O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE","C21 H44 N O9 P","O=C(O)C(N)COP(=O)(OCC(O)COC(O)CCCCCCCCCCCCCC)O;CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O;CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC(C(=O)O)N)O","InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1","LYSOPHOSPHOTIDYLSERINE","2003-02-21","2021-03-01","O-[(R)-hydroxy{[(2R)-2-hydroxy-3-{[(1R)-1-hydroxypentadecyl]oxy}propyl]oxy}phosphoryl]-L-serine",""],["6EM","(2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium","C7 H17 N2 O","CCC(C(=O)N)[N+](C)(C)C;CC[CH](C(N)=O)[N+](C)(C)C;CCC(C(=O)N)[N+](C)(C)C","InChI=1S/C7H16N2O/c1-5-6(7(8)10)9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1/t6-/m0/s1","","2016-03-23","2024-09-27","(2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium","2016-05-18"],["LPT","CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX","C6 H16 N2 Pt","N.[Pt++].NC1CCCCC1;C1CCC(CC1)[NH2][Pt+2][NH3]","InChI=1S/C6H13N.H3N.Pt/c7-6-4-2-1-3-5-6;;/h6H,1-5,7H2;1H3;/q;;+2","","2002-06-12","2023-09-23","(cyclohexyl-$l^{4}-azanyl)-$l^{4}-azanyl-platinum(2+)",""],["6EN","3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid","C14 H12 N4 O2","c13ncccc1c(Nc2c(C(O)=O)ccnc2)cn3C;Cn1cc(Nc2cnccc2C(O)=O)c3cccnc13;Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O","InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)","","2016-03-23","2016-07-22","3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid","2016-07-27"],["LPU","1-(methanesulfonyl)piperidin-4-ol","C6 H13 N O3 S","OC1CCN(CC1)S(=O)(C)=O;C[S](=O)(=O)N1CCC(O)CC1;CS(=O)(=O)N1CCC(CC1)O","InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3","","2022-03-04","2022-03-11","1-(methanesulfonyl)piperidin-4-ol","2022-03-16"],["6EO","3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid","C14 H11 Cl N2 O3","c1c(ccc(c1)Cl)CC(Nc2cnccc2C(=O)O)=O;OC(=O)c1ccncc1NC(=O)Cc2ccc(Cl)cc2;c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl","InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)","","2016-03-23","2016-07-22","3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid","2016-07-27"],["6EP","2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid","C17 H14 Cl N3 O3","c2c(n(c1cc(ccn1)C(=O)O)nc2)OCc3ccc(Cl)cc3C;Cc1cc(Cl)ccc1COc2ccnn2c3cc(ccn3)C(O)=O;Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl","InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)","","2016-03-23","2016-07-22","2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid","2016-07-27"],["LPV","(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide","C24 H34 N2 O3","CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O)[CH](C)N)cc1;CCCCc1ccc(cc1)OCCC(Cc2ccccc2)NC(=O)C(C(C)N)O","InChI=1S/C24H34N2O3/c1-3-4-8-19-11-13-22(14-12-19)29-16-15-21(17-20-9-6-5-7-10-20)26-24(28)23(27)18(2)25/h5-7,9-14,18,21,23,27H,3-4,8,15-17,25H2,1-2H3,(H,26,28)/t18-,21-,23+/m0/s1","","2022-07-07","2024-09-27","(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide","2023-10-25"],["LPW","2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide","C21 H19 N O5 S","COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(=O)NO;COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO","InChI=1S/C21H19NO5S/c1-27-18-10-6-15(7-11-18)16-8-12-19(13-9-16)28(25,26)20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)","","2017-10-05","2018-05-11","2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide","2018-05-16"],["6EQ","4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid","C20 H16 N2 O4","c1c(O)c(C(O)=O)ccc1NC(=O)Nc2cccc(c2)c3ccccc3;OC(=O)c1ccc(NC(=O)Nc2cccc(c2)c3ccccc3)cc1O;c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O","InChI=1S/C20H16N2O4/c23-18-12-16(9-10-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)","","2016-03-23","2016-08-12","4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid","2016-08-17"],["LPX","(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate","C21 H44 N O7 P","O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O","InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1","","2008-05-01","2011-06-04","(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate",""],["6ER","(S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate","C20 H41 N O8 P","CCCCCC(=O)OC[CH](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC","InChI=1S/C20H41NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18,24H,6-17H2,1-5H3/t18-/m0/s1","","2016-03-23","2022-03-25","","2022-03-30"],["LPY","(2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate","C22 H43 O12 P","P(OC1C(O)C(O)C(O)C(O)C1O)(O)(=O)OCC(O)COC(=O)CCCCCCCCCCCC;CCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C22H43O12P/c1-2-3-4-5-6-7-8-9-10-11-12-16(24)32-13-15(23)14-33-35(30,31)34-22-20(28)18(26)17(25)19(27)21(22)29/h15,17-23,25-29H,2-14H2,1H3,(H,30,31)/t15-,17-,18-,19+,20-,21-,22-/m1/s1","sn-1-tridecanoyl-phosphatidylinositol","2015-01-22","2021-03-01","(2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate","2015-07-15"],["6ES","(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate","C24 H45 O13 P","CCCCC(OCC(COP(O)(OC1C(C(C(C(C1O)O)O)O)O)=O)OC(=O)CCCCCCCCC)=O;CCCCCCCCCC(=O)O[CH](COC(=O)CCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C24H45O13P/c1-3-5-7-8-9-10-11-13-18(26)36-16(14-34-17(25)12-6-4-2)15-35-38(32,33)37-24-22(30)20(28)19(27)21(29)23(24)31/h16,19-24,27-31H,3-15H2,1-2H3,(H,32,33)/t16-,19-,20-,21-,22+,23-,24+/m0/s1","","2016-03-23","2016-05-20","(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate","2016-05-25"],["LPZ","2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone","C14 H21 N2 O2","C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2;Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C","InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1","","2019-08-30","2019-09-27","2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone","2019-10-02"],["6ET","capsazepine","C19 H21 Cl N2 O2 S","c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O;Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc3ccc(Cl)cc3;c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl","InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)","N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide","2016-03-23","2020-06-17","N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide","2016-05-25"],["LQ0","2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide","C16 H14 Cl N3 O","Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21;Cc1ccncc1NC(=O)Cn2ccc3ccc(Cl)cc23;Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)Cl","InChI=1S/C16H14ClN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)","","2023-08-15","2023-11-03","2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["6EU","resiniferatoxin","C37 H40 O9","COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)C(=C)C)O;COc1cc(CC(=O)OCC2=C[CH]3[CH]4O[C]5(Cc6ccccc6)O[C]4(C[CH](C)[C]3(O5)[CH]7C=C(C)C(=O)[C]7(O)C2)C(C)=C)ccc1O;CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)OC(O3)(O2)Cc7ccccc7)C(=C)C","InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1","RTX","2016-03-23","2021-03-01","[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate","2016-05-25"],["LQ2","4-aminocarbonylbenzoic acid","C8 H7 N O3","NC(=O)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)N)C(=O)O","InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)","","2019-08-30","2020-09-04","4-aminocarbonylbenzoic acid","2020-09-09"],["6EV","5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one","C10 H8 O S2","C=C2/C=Cc1csc(SC)c1C2=O;CSc1scc2C=CC(=C)C(=O)c12;CSc1c2c(cs1)C=CC(=C)C2=O","InChI=1S/C10H8OS2/c1-6-3-4-7-5-13-10(12-2)8(7)9(6)11/h3-5H,1H2,2H3","","2016-03-23","2024-09-27","5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one","2016-11-30"],["6EW","N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide","C23 H27 F3 N2 O4 S","O=S(c1ccc(c(c1)C)C)(N(c2ccc3c(c2)OCC(C)(C)C(N3CC)=O)CC(F)(F)F)=O;CCN1C(=O)C(C)(C)COc2cc(ccc12)N(CC(F)(F)F)[S](=O)(=O)c3ccc(C)c(C)c3;CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C","InChI=1S/C23H27F3N2O4S/c1-6-27-19-10-8-17(12-20(19)32-14-22(4,5)21(27)29)28(13-23(24,25)26)33(30,31)18-9-7-15(2)16(3)11-18/h7-12H,6,13-14H2,1-5H3","","2016-03-24","2016-06-10","N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide","2016-06-15"],["LQ3","(5S)-5-(difluoromethoxy)pyridin-2(5H)-one","C6 H5 F2 N O2","O=C1C=CC(OC(F)F)C=N1;FC(F)O[CH]1C=CC(=O)N=C1;C1=CC(=O)N=CC1OC(F)F","InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1","","2022-03-04","2022-03-11","(5S)-5-(difluoromethoxy)pyridin-2(5H)-one","2022-03-16"],["6EX","1-(1H-imidazol-1-yl)ethan-1-one","C5 H6 N2 O","CC(n1cncc1)=O;CC(=O)n1ccnc1;CC(=O)n1ccnc1","InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3","","2016-03-24","2017-08-04","1-(1H-imidazol-1-yl)ethan-1-one","2017-08-09"],["LQ4","piperlongumine","C17 H19 N O5","C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC)OC)=O)C2)=O;COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)C=CC(=O)N2CCC=CC2=O","InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+","1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one","2019-03-08","2021-04-16","1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one","2021-04-21"],["LQ5","1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea","C24 H26 F3 N7 O2","CN1CCN(CC1)Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F;CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N","InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)","","2015-04-27","2015-07-17","1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea","2015-07-22"],["6EY","(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one","C21 H16 Cl N O3 S2","C=1(C(=O)NC(CC=1O)(c2cccc(O)c2)c3ccsc3)Sc4ccccc4Cl;OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4cccc(O)c4;c1ccc(c(c1)SC2=C(CC(NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl","InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(25)11-21(23-20(19)26,14-8-9-27-12-14)13-4-3-5-15(24)10-13/h1-10,12,24-25H,11H2,(H,23,26)/t21-/m1/s1","","2016-03-24","2016-09-09","(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one","2016-09-14"],["LQ6","(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","C21 H19 Cl2 N5 O4 S","Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4;c1cc(sc1)CNC(=O)C2CN(CCN2c3ccc(c(c3)Cl)Cl)C(=O)C4=CC(=O)NC(=O)N4","InChI=1S/C21H19Cl2N5O4S/c22-14-4-3-12(8-15(14)23)28-6-5-27(20(31)16-9-18(29)26-21(32)25-16)11-17(28)19(30)24-10-13-2-1-7-33-13/h1-4,7-9,17H,5-6,10-11H2,(H,24,30)(H2,25,26,29,32)/t17-/m0/s1","","2022-07-07","2022-09-23","(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","2022-09-28"],["6EZ","(3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide","C20 H21 F N2 O2","c1(F)ccc(cc1)c2cc(c(cc2)N)NC(C3CC4CCC(C3)O4)=O;Nc1ccc(cc1NC(=O)[CH]2C[CH]3CC[CH](C2)O3)c4ccc(F)cc4;c1cc(ccc1c2ccc(c(c2)NC(=O)C3CC4CCC(C3)O4)N)F","InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+","","2016-03-25","2016-08-24","(3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide","2016-08-31"],["LQ7","N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide","C23 H26 N2 O2 S","C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3)CCCN;Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc3sccc3)c1;Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3","InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3","","2019-03-08","2019-09-13","N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide","2019-09-18"],["6F0","2-azanyl-6-fluoranyl-benzoic acid","C7 H6 F N O2","O=C(O)c1c(F)cccc1N;Nc1cccc(F)c1C(O)=O;c1cc(c(c(c1)F)C(=O)O)N","InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)","6-fluoroanthranilate","2014-02-06","2021-03-01","2-amino-6-fluorobenzoic acid","2014-04-23"],["LQ8","(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid","C28 H30 N2 O7","OCCOc1cccc2[CH](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O;c1ccc2c(c1)C(=O)N(C2=O)CC3c4cccc(c4CCN3C(=O)C5CCCCC5C(=O)O)OCCO","InChI=1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1","","2019-08-30","2020-05-29","(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid","2020-06-03"],["6F1","N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide","C20 H21 F3 N2 O4 S","c1c(C)c(C)cc(c1)S(=O)(N(c3cc2OCC(N(CC)c2cc3)=O)CC(F)(F)F)=O;CCN1C(=O)COc2cc(ccc12)N(CC(F)(F)F)[S](=O)(=O)c3ccc(C)c(C)c3;CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C","InChI=1S/C20H21F3N2O4S/c1-4-24-17-8-6-15(10-18(17)29-11-19(24)26)25(12-20(21,22)23)30(27,28)16-7-5-13(2)14(3)9-16/h5-10H,4,11-12H2,1-3H3","","2016-03-25","2016-06-10","N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide","2016-06-15"],["LQ9","~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide","C16 H15 F3 N6 O3","COc1cc(ccn1)c2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F;CC(c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc(nn3C)C(F)(F)F","InChI=1S/C16H15F3N6O3/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m0/s1","","2022-12-01","2023-08-11","~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide","2023-08-16"],["6F2","[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone","C27 H28 Cl N9 O","CN1CCN(CC1)C(=O)c2cccc(Cn3cc(cn3)c4c(Cl)cnc5[nH]c(nc45)c6cn(C)nc6C)c2;Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C","InChI=1S/C27H28ClN9O/c1-17-21(16-35(3)33-17)25-31-24-23(22(28)13-29-26(24)32-25)20-12-30-37(15-20)14-18-5-4-6-19(11-18)27(38)36-9-7-34(2)8-10-36/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,29,31,32)","","2015-07-24","2015-08-28","[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone","2015-09-02"],["LQA","4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile","C25 H23 N3 O4","COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc5OCOc5cc4C3=C2;CC(C)Oc1ccc(cc1OC)C2=C(C(=N)N3CCc4cc5c(cc4C3=C2)OCO5)C#N","InChI=1S/C25H23N3O4/c1-14(2)32-21-5-4-15(8-22(21)29-3)17-10-20-18-11-24-23(30-13-31-24)9-16(18)6-7-28(20)25(27)19(17)12-26/h4-5,8-11,14,27H,6-7,13H2,1-3H3/b27-25-","","2016-10-17","2017-01-20","4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile","2017-01-25"],["6F3","N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide","C14 H12 N2 O4 S","CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2;CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O","InChI=1S/C14H12N2O4S/c1-15-21(18,19)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8,15H,1H3,(H,16,17)","","2016-05-11","2017-02-24","~{N}-methyl-3-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzenesulfonamide","2017-03-01"],["LQB","2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline","C20 H20 N4 O2","Cc1cc(C)n(n1)c2cc(ccc2[N+]([O-])=O)N3CCc4ccccc4C3;Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C","InChI=1S/C20H20N4O2/c1-14-11-15(2)23(21-14)20-12-18(7-8-19(20)24(25)26)22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11-12H,9-10,13H2,1-2H3","","2016-10-17","2017-01-20","2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1~{H}-isoquinoline","2017-01-25"],["6F4","N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine","C7 H8 N4 S2","c1ccsc1CNc2nnc(s2)N;Nc1sc(NCc2sccc2)nn1;c1cc(sc1)CNc2nnc(s2)N","InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)","","2016-03-26","2017-03-31","N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine","2017-04-05"],["6F5","6-methylheptanoic acid","C8 H16 O2","CC(C)CCCCC(O)=O;CC(C)CCCCC(=O)O","InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","","2016-04-13","2024-09-27","6-methylheptanoic acid","2016-09-21"],["LQD","(3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine","C23 H29 N3 O","COc1ccccc1CN2C[CH]([CH](C2)c3cn(C)c4ccccc34)N(C)C;Cn1cc(c2c1cccc2)C3CN(CC3N(C)C)Cc4ccccc4OC","InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1","","2016-10-17","2017-01-20","(3~{R},4~{S})-1-[(2-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine","2017-01-25"],["6F6","(4S,7R)-4-hydroxy-N,N,N-trimethyl-7-(octadecanoyloxy)-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosan-1-aminium","C44 H89 N O8 P","O=P(O)(OCC[N+](C)(C)C)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1","","2016-03-29","2025-11-14","(4S,7R)-4-hydroxy-N,N,N-trimethyl-7-(octadecanoyloxy)-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosan-1-aminium","2025-11-19"],["LQE","(3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline","C23 H29 N O2","COc1cccc(C[CH]2C[CH]3Cc4c(C[CH]3N(C)C2)cccc4OC)c1;CN1CC(CC2C1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC","InChI=1S/C23H29NO2/c1-24-15-17(10-16-6-4-8-20(12-16)25-2)11-19-13-21-18(14-22(19)24)7-5-9-23(21)26-3/h4-9,12,17,19,22H,10-11,13-15H2,1-3H3/t17-,19-,22-/m0/s1","","2016-10-17","2017-01-20","(3~{R},4~{a}~{S},10~{a}~{S})-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4~{a},5,10,10~{a}-hexahydro-2~{H}-benzo[g]quinoline","2017-01-25"],["LQF","5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile","C22 H20 N6 O","N#Cc1c2CCN(Cc3ccccc3)Cc2c4nncn4c1NCc5occc5;c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2","InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2","","2016-10-17","2017-01-20","5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7~{H}-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile","2017-01-25"],["6F7","3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)","C10 H15 N2 O8 P","N2(C1C(CC(O1)COP(O)(O)=O)O)C(=O)NC(C(=C2)C)=O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)C[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(CC(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-8(5)14)9-7(13)2-6(20-9)4-19-21(16,17)18/h3,6-7,9,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","","2016-03-29","2016-12-09","3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)","2016-12-14"],["LQG","5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile","C12 H9 N5 O","N#Cc1ccc2nncn2c1NCc3occc3;c1cc(oc1)CNc2c(ccc3n2cnn3)C#N","InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2","","2016-10-17","2017-01-20","5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile","2017-01-25"],["6F8","3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol","C21 H32 O2","CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O;CCCC=CCC=CCCCCCCCc1cccc(O)c1O;CCCC=CCC=CCCCCCCCc1cccc(c1O)O","InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-","","2016-03-29","2016-07-29","3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol","2016-08-03"],["LQH","5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline","C17 H13 F N2","Fc1ccccc1C2=Cc3ccccc3C4=NCCN24;c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F","InChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2","","2016-10-17","2017-01-20","5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline","2017-01-25"],["6F9","7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide","C27 H35 N3 O5","O(c4cc(cc(c1cc3c(c(c1)C(NC2CN(C)CCC2)=O)OCCN(C3)C(=O)CC)c4)OC)C;CCC(=O)N1CCOc2c(C1)cc(cc2C(=O)N[CH]3CCCN(C)C3)c4cc(OC)cc(OC)c4;CCC(=O)N1CCOc2c(cc(cc2C(=O)NC3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1","InChI=1S/C27H35N3O5/c1-5-25(31)30-9-10-35-26-20(16-30)11-18(19-12-22(33-3)15-23(13-19)34-4)14-24(26)27(32)28-21-7-6-8-29(2)17-21/h11-15,21H,5-10,16-17H2,1-4H3,(H,28,32)/t21-/m0/s1","","2016-03-29","2016-09-30","7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide","2016-10-05"],["LQI","(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone","C15 H17 N O2","CC1CCN(CC1)C(=O)c1cc2ccccc2o1;CC1CCN(CC1)C(=O)c2oc3ccccc3c2;CC1CCN(CC1)C(=O)c2cc3ccccc3o2","InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3","","2022-03-04","2022-03-11","(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone","2022-03-16"],["6FA","6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE","C27 H33 N9 O16 P2","O=C2C3=Nc1c(cc(c(c1O)C)C)N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=Nc2c(O)c1C;Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1","","2001-11-29","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydrogen diphosphate (non-preferred name)",""],["LQJ","3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine","C20 H24 N10 O12 P2","P(O)(OC3C(CO)OC(n2c1c(c(ncn1)N)nc2)C3O)(=O)OCC6OC(n4cnc5c4ncnc5N)C7C6OP(=O)(O)O7;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P](O)(=O)OC[CH]4O[CH]([CH]5O[P](O)(=O)O[CH]45)n6cnc7c(N)ncnc67)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OCC4C5C(C(O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N","InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(32)12(7(1-31)38-19)40-43(33,34)37-2-8-13-14(42-44(35,36)41-13)20(39-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8+,11-,12-,13+,14+,19-,20+/m1/s1","","2019-03-08","2019-07-26","3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine","2019-07-31"],["6FB","pyrido[3,4-g]quinazolin-2-amine","C11 H8 N4","c2c1cnc(N)nc1cc3c2cncc3;Nc1ncc2cc3cnccc3cc2n1;c1cncc2c1cc3c(c2)cnc(n3)N","InChI=1S/C11H8N4/c12-11-14-6-9-3-8-5-13-2-1-7(8)4-10(9)15-11/h1-6H,(H2,12,14,15)","","2016-03-30","2016-04-29","pyrido[3,4-g]quinazolin-2-amine","2016-05-04"],["LQK","(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide","C26 H27 N3 O6","NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc3[CH]2CN4C(=O)c5ccccc5C4=O;c1ccc2c(c1)C(=O)N(C2=O)CC3c4cccc(c4CCN3C(=O)C5CCC5C(=O)N)OCCO","InChI=1S/C26H27N3O6/c27-23(31)17-8-9-20(17)24(32)28-11-10-16-15(6-3-7-22(16)35-13-12-30)21(28)14-29-25(33)18-4-1-2-5-19(18)26(29)34/h1-7,17,20-21,30H,8-14H2,(H2,27,31)/t17-,20+,21+/m0/s1","","2019-08-30","2020-05-29","(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide","2020-06-03"],["6FC","2'-trifluoromethylthio-2'-deoxycytidine","C10 H15 F3 N3 O7 P S","FC(F)(F)SC2C(O)C(OC2N1C(=O)N=C(N)C=C1)COP(O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[PH](O)(O)O)[CH](O)[CH]2SC(F)(F)F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(O)(O)O)O)SC(F)(F)F","InChI=1S/C10H15F3N3O7PS/c11-10(12,13)25-7-6(17)4(3-22-24(19,20)21)23-8(7)16-2-1-5(14)15-9(16)18/h1-2,4,6-8,17,19-21,24H,3H2,(H2,14,15,18)/t4-,6-,7-,8-/m1/s1","","2013-11-20","2014-11-14","2'-thio-2'-S-(trifluoromethyl)-5'-O-(trihydroxy-lambda~5~-phosphanyl)cytidine","2014-11-19"],["6FD","pyrido[3,4-g]quinazoline-2,10-diamine","C11 H9 N5","c2c1cnc(N)nc1c(c3c2cncc3)N;Nc1ncc2cc3cnccc3c(N)c2n1;c1cncc2c1c(c3c(c2)cnc(n3)N)N","InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)","","2016-03-30","2016-04-29","pyrido[3,4-g]quinazoline-2,10-diamine","2016-05-04"],["LQL","(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","C22 H20 Cl2 N4 O2 S","Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4;c1cc(cnc1)C(=O)N2CCN(C(C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl","InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/m0/s1","","2022-07-07","2022-09-23","(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide","2022-09-28"],["LQN","2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide","C20 H14 F3 N O Se","FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2;c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH]","InChI=1S/C20H14F3NOSe/c21-20(22,23)15-10-8-13(9-11-15)14-4-3-5-16(12-14)24-19(25)17-6-1-2-7-18(17)26/h1-12,26H,(H,24,25)","","2019-09-02","2024-09-27","2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide","2020-03-18"],["6FE","4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline","C24 H28 N2 O","COc1ccc(cc1)[C](=[C]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C;CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC","InChI=1S/C24H28N2O/c1-25(2)21-12-6-18(7-13-21)24(20-10-16-23(27-5)17-11-20)19-8-14-22(15-9-19)26(3)4/h6-17,21H,1-5H3/b24-18-/t21-/m0/s1","MALACHITE GREEN DERIVATIVE MG-2P","2015-07-27","2021-03-01","4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline","2016-02-03"],["LQO","lacosamide","C13 H18 N2 O3","CC(=O)NC(COC)C(=O)NCc1ccccc1;COC[CH](NC(C)=O)C(=O)NCc1ccccc1;CC(=O)NC(COC)C(=O)NCc1ccccc1","InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1","N~2~-acetyl-N-benzyl-O-methyl-D-serinamide","2023-04-12","2023-08-25","N~2~-acetyl-N-benzyl-O-methyl-D-serinamide","2023-08-30"],["6FF","5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide","C18 H19 F N4 O5 S","c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)CCC)O;CCCN(C)[S](=O)(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccccc3F;CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F","InChI=1S/C18H19FN4O5S/c1-3-8-22(2)29(27,28)16-9-11(14(24)10-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-7,9-10,24-25H,3,8H2,1-2H3,(H,21,26)","","2016-03-30","2017-12-01","5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide","2017-12-06"],["LQP","2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one","C10 H15 F2 N O2","FC(F)OCC(=O)N1CC2CCCC2C1;FC(F)OCC(=O)N1C[CH]2CCC[CH]2C1;C1CC2CN(CC2C1)C(=O)COC(F)F","InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+","","2022-03-04","2022-03-11","2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one","2022-03-16"],["6FG","3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one","C11 H15 N O2","O=C(N1CCCC1)CCc2ccoc2;O=C(CCc1cocc1)N2CCCC2;c1cocc1CCC(=O)N2CCCC2","InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2","","2016-03-30","2017-03-24","3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one","2017-03-29"],["6FH","(6~{S})-6-methyloctanoic acid","C9 H18 O2","CC[CH](C)CCCCC(O)=O;CCC(C)CCCCC(=O)O","InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1","","2016-04-13","2024-09-27","(6~{S})-6-methyloctanoic acid","2016-09-21"],["LQQ","6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE","C24 H29 N7 O2","O=C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5;CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O;CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C","InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)","Palbociclib","2005-11-28","2021-03-01","6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one",""],["LQT","2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide","C15 H25 N5 O2","CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O;CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N","InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)","KDOAM25A","2015-06-02","2020-06-17","2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide","2015-07-07"],["6FI","6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine","C17 H24 N4 O3 S","CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc(OCCCN(C)C)cc2;CNc1cc(nc(n1)S(=O)(=O)C)c2ccc(cc2)OCCCN(C)C","InChI=1S/C17H24N4O3S/c1-18-16-12-15(19-17(20-16)25(4,22)23)13-6-8-14(9-7-13)24-11-5-10-21(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19,20)","","2021-09-10","2022-09-09","6-[4-[3-(dimethylamino)propoxy]phenyl]-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine","2022-09-14"],["LQU","3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile","C18 H16 N2 O","N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O;CC(=O)N1C[CH](c2cccc(c2)C#N)c3ccccc3C1;CC(=O)N1Cc2ccccc2C(C1)c3cccc(c3)C#N","InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/t18-/m1/s1","","2023-08-15","2024-09-27","3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile","2023-11-08"],["6FJ","5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide","C21 H17 F N4 O5","c1cccc(c1N4C(c3c(cc(O)c(C(=O)N(Cc2ccco2)C)c3)O)=NNC4=O)F;CN(Cc1occc1)C(=O)c2cc(c(O)cc2O)C3=NNC(=O)N3c4ccccc4F;CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F","InChI=1S/C21H17FN4O5/c1-25(11-12-5-4-8-31-12)20(29)14-9-13(17(27)10-18(14)28)19-23-24-21(30)26(19)16-7-3-2-6-15(16)22/h2-10,27-28H,11H2,1H3,(H,24,30)","","2016-03-30","2017-12-01","5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide","2017-12-06"],["LQV","(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide","C11 H14 N2 O2","O=C(Nc1ccc(C)cn1)C1CCCO1;Cc1ccc(NC(=O)[CH]2CCCO2)nc1;Cc1ccc(nc1)NC(=O)C2CCCO2","InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1","","2022-03-04","2022-03-11","(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide","2022-03-16"],["6FK","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C18 H21 N6 O8 P","CC(=O)N(c1ccccc1)c2nc3C(=O)N=C(N)Nc3n2[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4;CC(=O)N(c1ccccc1)c2nc3c(n2C4CC(C(O4)COP(=O)(O)O)O)NC(=NC3=O)N","InChI=1S/C18H21N6O8P/c1-9(25)23(10-5-3-2-4-6-10)18-20-14-15(21-17(19)22-16(14)27)24(18)13-7-11(26)12(32-13)8-31-33(28,29)30/h2-6,11-13,26H,7-8H2,1H3,(H2,28,29,30)(H3,19,21,22,27)/t11-,12+,13+/m0/s1","","2016-04-15","2019-05-07","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2016-06-01"],["6FL","5,5,5,5',5',5'-hexafluoro-L-leucine","C6 H7 F6 N O2","FC(F)(F)C(CC(N)C(=O)O)C(F)(F)F;N[CH](CC(C(F)(F)F)C(F)(F)F)C(O)=O;C(C(C(=O)O)N)C(C(F)(F)F)C(F)(F)F","InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1","","2011-10-13","2024-09-27","5,5,5,5',5',5'-hexafluoro-L-leucine",""],["LQW","~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide","C14 H12 Cl N O Se","Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1;c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]","InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17)","","2019-09-02","2024-09-27","~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide","2020-03-18"],["LQX","1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide","C23 H26 N6 O4 S2","Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4cc(ccc24)[S](=O)(=O)NC5(C)CC5;Cc1cc(n(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnc(s4)C)S(=O)(=O)NC5(CC5)C","InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3","","2022-07-11","2023-06-09","1-[(2,5-dimethylpyrazol-3-yl)methyl]-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide","2023-06-14"],["6FM","2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)","C12 H13 F N5 O6 P","c21n(cnc1c(nc(n2)F)N)C3CC(C(C#C)(O3)COP(O)(=O)O)O;Nc1nc(F)nc2n(cnc12)[CH]3C[CH](O)[C](CO[P](O)(O)=O)(O3)C#C;C#CC1(C(CC(O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O","InChI=1S/C12H13FN5O6P/c1-2-12(4-23-25(20,21)22)6(19)3-7(24-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1","","2016-03-30","2025-06-26","2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)","2016-08-03"],["6FN","2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)","C12 H15 F N5 O12 P3","c21n(cnc1c(nc(n2)F)N)C3CC(C(COP(O)(OP(=O)(O)OP(O)(O)=O)=O)(C#C)O3)O;Nc1nc(F)nc2n(cnc12)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)(O3)C#C;C#CC1(C(CC(O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1","","2016-03-30","2016-07-29","2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)","2016-08-03"],["LQY","N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide","C31 H36 N4 O4","COc1ccc(cc1c2ccc(cc2)C(NCC(N)=O)=O)C4=NN(C3CCCCCC3)C(=O)C5CC=CCC45;COc1ccc(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35;COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)C4C3CC=CC4)C5CCCCCC5","InChI=1S/C31H36N4O4/c1-39-27-17-16-22(18-26(27)20-12-14-21(15-13-20)30(37)33-19-28(32)36)29-24-10-6-7-11-25(24)31(38)35(34-29)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11,19H2,1H3,(H2,32,36)(H,33,37)/t24-,25+/m0/s1","","2016-04-08","2017-11-24","N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide","2017-11-29"],["LQZ","2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide","C14 H22 N2 O","O=C(Nc1c(cccc1C)C)CN(CC)CC;CCN(CC)CC(=O)Nc1c(C)cccc1C;CCN(CC)CC(=O)Nc1c(cccc1C)C","InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)","","2009-09-10","2011-06-04","N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide",""],["6FP","2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde","C7 H5 N5 O2","O=Cc2nc1c(N=C(N)NC1=O)nc2;NC1=Nc2ncc(C=O)nc2C(=O)N1;c1c(nc2c(n1)N=C(NC2=O)N)C=O","InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)","6-formylpterin","2012-09-04","2024-09-27","2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde","2012-10-12"],["6FQ","2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile","C19 H10 N8 O2","N2C(N=C1N(c3cc(C#N)ccc3C=C1C2=O)c5cc(c4nnnn4)ccc5)=O;O=C1NC(=O)C2=Cc3ccc(cc3N(c4cccc(c4)c5[nH]nnn5)C2=N1)C#N;c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5","InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26)","","2016-03-31","2016-04-29","2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile","2016-05-04"],["LR0","(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide","C16 H14 F N3 O2","O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc21;CC(=O)Nc1ccncc1NC(=O)[CH]2Cc3ccc(F)cc23;CC(=O)Nc1ccncc1NC(=O)C2Cc3c2cc(cc3)F","InChI=1S/C16H14FN3O2/c1-9(21)19-14-4-5-18-8-15(14)20-16(22)13-6-10-2-3-11(17)7-12(10)13/h2-5,7-8,13H,6H2,1H3,(H,20,22)(H,18,19,21)/t13-/m1/s1","","2023-08-15","2023-11-03","(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide","2023-11-08"],["LR1","(1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol","C13 H18 Br N O4","Brc1ccc(cc1)CNC2C(C(O)C(O)C2O)CO;OC[CH]1[CH](O)[CH](O)[CH](O)[CH]1NCc2ccc(Br)cc2;c1cc(ccc1CNC2C(C(C(C2O)O)O)CO)Br","InChI=1S/C13H18BrNO4/c14-8-3-1-7(2-4-8)5-15-10-9(6-16)11(17)13(19)12(10)18/h1-4,9-13,15-19H,5-6H2/t9-,10+,11+,12-,13-/m0/s1","","2013-01-17","2014-09-05","(1R,2S,3S,4R,5R)-4-[(4-bromobenzyl)amino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol","2014-02-05"],["6FR","1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine","C11 H21 N O2 S","O=S(CCC1CCCC1)(=O)N2CCCC2;O=[S](=O)(CCC1CCCC1)N2CCCC2;C1CCC(C1)CCS(=O)(=O)N2CCCC2","InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2","","2016-03-31","2017-03-24","1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine","2017-03-29"],["LR2","~{N}-pyridin-2-yl-2-selanyl-benzamide","C12 H10 N2 O Se","[SeH]c1ccccc1C(=O)Nc2ccccn2;c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]","InChI=1S/C12H10N2OSe/c15-12(9-5-1-2-6-10(9)16)14-11-7-3-4-8-13-11/h1-8,16H,(H,13,14,15)","","2019-09-02","2024-09-27","~{N}-pyridin-2-yl-2-selanyl-benzamide","2020-03-18"],["6FS","N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine","C21 H25 N O8 S","c1c(cc(c(c1OC)C=CS(Cc2ccc(c(c2)NCC(O)=O)OC)(=O)=O)OC)OC;COc1cc(OC)c(C=C[S](=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1;COc1ccc(cc1NCC(=O)O)CS(=O)(=O)C=Cc2c(cc(cc2OC)OC)OC","InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+","","2016-03-31","2016-04-29","N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine","2016-05-04"],["LR4","(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","C23 H27 N7 O S","C[CH]1CN(C)CCN1c2cccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45;CC1CN(CCN1c2cccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C)C","InChI=1S/C23H27N7OS/c1-14-13-29(3)10-11-30(14)18-8-4-6-16(26-18)21-27-22(31-28-21)23(2)9-5-7-17-19(23)15(12-24)20(25)32-17/h4,6,8,14H,5,7,9-11,13,25H2,1-3H3/t14-,23-/m0/s1","(4S)-2-azanyl-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile","2022-07-11","2023-06-02","(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2023-06-07"],["6FT","5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid","C19 H16 N2 O6 S","O=C1C(=CN(C=C1C(O)=O)Cc2ccc(cc2)c3ccc(cc3)S(N)(=O)=O)O;N[S](=O)(=O)c1ccc(cc1)c2ccc(CN3C=C(O)C(=O)C(=C3)C(O)=O)cc2;c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C19H16N2O6S/c20-28(26,27)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-21-10-16(19(24)25)18(23)17(22)11-21/h1-8,10-11,22H,9H2,(H,24,25)(H2,20,26,27)","","2016-03-31","2016-06-10","5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid","2016-06-15"],["6FU","2'-trifluoromethylthio-2'-deoxyuridine","C10 H14 F3 N2 O8 P S","FC(F)(F)SC2C(O)C(OC2N1C(=O)NC(=O)C=C1)COP(O)(O)O;O[CH]1[CH](CO[PH](O)(O)O)O[CH]([CH]1SC(F)(F)F)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)(O)O)O)SC(F)(F)F","InChI=1S/C10H14F3N2O8PS/c11-10(12,13)25-7-6(17)4(3-22-24(19,20)21)23-8(7)15-2-1-5(16)14-9(15)18/h1-2,4,6-8,17,19-21,24H,3H2,(H,14,16,18)/t4-,6-,7-,8-/m1/s1","","2013-11-20","2014-11-14","2'-thio-2'-S-(trifluoromethyl)-5'-O-(trihydroxy-lambda~5~-phosphanyl)uridine","2014-11-19"],["LR5","4-(trifluoromethyl)benzamide","C8 H6 F3 N O","NC(=O)c1ccc(cc1)C(F)(F)F;c1cc(ccc1C(=O)N)C(F)(F)F","InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)","","2019-09-02","2020-09-25","4-(trifluoromethyl)benzamide","2020-09-30"],["LR6","[(1R,3R,4R,7S)-5-(N'-tert-butyl-N-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","C17 H28 N5 O8 P","CNC(=NC(C)(C)C)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN3C(=NC(C)(C)C)NC)COP(=O)(O)O)O","InChI=1S/C17H28N5O8P/c1-9-6-21(15(25)19-12(9)24)13-10-11(23)17(30-13,8-29-31(26,27)28)7-22(10)14(18-5)20-16(2,3)4/h6,10-11,13,23H,7-8H2,1-5H3,(H,18,20)(H,19,24,25)(H2,26,27,28)/t10-,11+,13-,17-/m1/s1","","2022-12-07","2023-08-04","[(1~{R},3~{R},4~{R},7~{S})-5-(~{N}'-~{tert}-butyl-~{N}-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","2023-08-09"],["6FV","10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile","C18 H10 N4 O3","N3C(C2=Cc4c(N(c1ccc(cc1)O)C2=NC3=O)cc(cc4)C#N)=O;Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N;c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O","InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)","","2016-04-01","2016-04-29","10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile","2016-05-04"],["LR7","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","C21 H31 N3 O17 P2","O=C1C=CN(C(N1)=O)C2C(C(C(O2)COP(O)(OP(=O)(O)OC3OC(CO)C(C(O)C3NC(=O)CCCC#C)O)=O)O)O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(=O)CCCC#C)[CH](O)[CH]1O;C#CCCCC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C21H31N3O17P2/c1-2-3-4-5-12(26)22-14-17(30)15(28)10(8-25)39-20(14)40-43(35,36)41-42(33,34)37-9-11-16(29)18(31)19(38-11)24-7-6-13(27)23-21(24)32/h1,6-7,10-11,14-20,25,28-31H,3-5,8-9H2,(H,22,26)(H,33,34)(H,35,36)(H,23,27,32)/t10-,11-,14-,15+,16-,17-,18-,19-,20-/m1/s1","","2019-03-12","2020-01-24","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6R)-3-(hex-5-ynoylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2020-01-29"],["6FW","2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one","C16 H15 Cl N5 O7 P S","C1(N=C(N)Nc2n(c(nc12)Sc3ccc(Cl)cc3)C5C(C4C(COP(=O)(O)O4)O5)O)=O;NC1=NC(=O)c2nc(Sc3ccc(Cl)cc3)n([CH]4O[CH]5CO[P](O)(=O)O[CH]5[CH]4O)c2N1;c1cc(ccc1Sc2nc3c(n2C4C(C5C(O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl","InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1","","2016-04-01","2017-04-07","2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one","2017-04-12"],["LR8","6-morpholin-4-ylpyridine-3-carboxamide","C10 H13 N3 O2","NC(=O)c1ccc(nc1)N2CCOCC2;c1cc(ncc1C(=O)N)N2CCOCC2","InChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)","","2019-09-03","2020-09-25","6-morpholin-4-ylpyridine-3-carboxamide","2020-09-30"],["6FX","methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate","C14 H10 N2 O4","COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2;COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O","InChI=1S/C14H10N2O4/c1-19-14(18)9-4-8(6-15-7-9)12-5-10-11(20-12)2-3-16-13(10)17/h2-7H,1H3,(H,16,17)","methyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate","2016-05-11","2021-03-13","methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate","2017-03-01"],["6FY","(2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid","C10 H19 N2 O7 P","CC[CH](O[PH](=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCC(C(=O)NCC(=O)O)OP(=O)CCC(C(=O)O)N","InChI=1S/C10H19N2O7P/c1-2-7(9(15)12-5-8(13)14)19-20(18)4-3-6(11)10(16)17/h6-7,20H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7+/m0/s1","","2016-05-24","2024-09-27","(2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid","2016-09-28"],["LR9","3-amino-N-ethyl-N-methylbenzamide","C10 H14 N2 O","O=C(c1cc(N)ccc1)N(C)CC;CCN(C)C(=O)c1cccc(N)c1;CCN(C)C(=O)c1cccc(c1)N","InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3","","2022-03-04","2022-03-11","3-amino-N-ethyl-N-methylbenzamide","2022-03-16"],["LRA","(2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one","C16 H11 Br O4","Oc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O;c1cc(cc(c1)O)C2C(=C(C(=O)O2)O)c3ccc(cc3)Br","InChI=1S/C16H11BrO4/c17-11-6-4-9(5-7-11)13-14(19)16(20)21-15(13)10-2-1-3-12(18)8-10/h1-8,15,18-19H/t15-/m1/s1","","2022-07-11","2023-04-21","(2~{R})-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2~{H}-furan-5-one","2023-04-26"],["6FZ","2,3-dihydro-1H-indene-2-carboxylic acid","C10 H10 O2","c2cc1CC(Cc1cc2)C(=O)O;OC(=O)C1Cc2ccccc2C1;c1ccc2c(c1)CC(C2)C(=O)O","InChI=1S/C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,11,12)","","2016-04-01","2016-10-21","2,3-dihydro-1H-indene-2-carboxylic acid","2016-10-26"],["LRB","LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)","C50 H57 N7 O Ru","O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6ccccn67)(n8ccccc8c9ccccn9%10)n%11cc%12;CC1=CC2=C3C=C(CCCCCCCCC(=O)NC4C5CC6CC(C5)CC4C6)C=CN3[Ru++]78(N9C=CC=CC9=C%10C=CC=CN7%10)(N%11C=CC=CC%11=C%12C=CC=CN8%12)N2C=C1;CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3","InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-14,20,23-26,30H,2-9,15-19H2,1H3,(H,33,34);2*1-8H;/q3*-2;+8/b28-27-;2*10-9-;/t23-,24+,25-,26+,30-;;;","","1999-10-06","2019-08-13","bis[1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~][9-(4'-methyl-1H,1'H-2,2'-bipyridin-4-yl-kappa~2~N~1~,N~1'~)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]nonanamidato(2-)]ruthenium(2+)",""],["6G0","5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine","C11 H20 N5 O17 P4","C2(=Nc1n(c[n+](c1C(N2)=O)C)C3OC(COP(OP(OP(OP(=O)(O)O)(=O)O)(=O)O)(O)=O)C(C3O)O)N;C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H19N5O17P4/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(30-10)2-29-35(23,24)32-37(27,28)33-36(25,26)31-34(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H7-,12,13,14,19,20,21,22,23,24,25,26,27,28)/p+1/t4-,6-,7-,10-/m1/s1","","2016-04-04","2017-05-05","5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine","2017-05-10"],["LRC","2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide","C13 H12 Cl N3 O","O=C(Nc1cnccc1C)Cc1cc(Cl)cnc1;Cc1ccncc1NC(=O)Cc2cncc(Cl)c2;Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl","InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18)","","2023-08-15","2023-11-03","2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["6G1","cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone","C20 H25 N3 O3 S","C1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4;O=C(C1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34;c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4","InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2","","2016-04-04","2016-10-14","cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone","2016-10-19"],["6G2","5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine","C19 H21 N5 O S","c1(ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4)N;Nc1ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4;c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4","InChI=1S/C19H21N5OS/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-23-18)17-11-24-19(26-17)14-3-7-22-8-4-14/h1-2,5-6,9-11,14,22H,3-4,7-8,12H2,(H2,20,23)","","2016-04-04","2016-10-21","5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine","2016-10-26"],["LRD","2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid","C19 H12 Cl2 O5 S","ClC3=CC(=C(/c1ccc(O)c(Cl)c1)c2ccccc2S(=O)(=O)O)C=CC3=O;Oc1ccc(cc1Cl)C(=C2C=CC(=O)C(=C2)Cl)c3ccccc3[S](O)(=O)=O;c1ccc(c(c1)C(=C2C=CC(=O)C(=C2)Cl)c3ccc(c(c3)Cl)O)S(=O)(=O)O","InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,22H,(H,24,25,26)/b19-12+","Chlorophenol Red","2013-10-23","2021-03-01","2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid","2013-10-30"],["6G3","N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea","C27 H23 F3 N6 O","c2nc(c1c(nc(C(C)C)n1c2)c3ccc(c4ccccc34)NC(Nc5cc(ccc5)C(F)(F)F)=O)N;CC(C)c1nc(c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c4ccccc24)c5n1ccnc5N;CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C27H23F3N6O/c1-15(2)25-35-22(23-24(31)32-12-13-36(23)25)20-10-11-21(19-9-4-3-8-18(19)20)34-26(37)33-17-7-5-6-16(14-17)27(28,29)30/h3-15H,1-2H3,(H2,31,32)(H2,33,34,37)","","2016-04-04","2016-05-27","N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea","2016-06-01"],["LRF","N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide","C8 H10 N4 O S","N#Cc1c(snc1C)N(C)CC(N)=O;CN(CC(N)=O)c1snc(C)c1C#N;Cc1c(c(sn1)N(C)CC(=O)N)C#N","InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)","","2022-03-04","2022-03-11","N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide","2022-03-16"],["6G4","4-oxononanoyl lysine","C15 H28 N2 O4","CCCCCC(=O)CCC(=O)NCCCC[CH](N)C(O)=O;CCCCCC(=O)CCC(=O)NCCCCC(C(=O)O)N","InChI=1S/C15H28N2O4/c1-2-3-4-7-12(18)9-10-14(19)17-11-6-5-8-13(16)15(20)21/h13H,2-11,16H2,1H3,(H,17,19)(H,20,21)/t13-/m0/s1","Nepsilon","2016-05-12","2024-09-27","(2~{S})-2-azanyl-6-(4-oxidanylidenenonanoylamino)hexanoic acid","2017-05-03"],["LRG","(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid","C21 H18 O3","O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3;OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3;c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc3","InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1","","2007-10-24","2011-06-04","(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid",""],["LRH","6-deoxy-beta-L-fructofuranose","C6 H12 O5","OC1C(O)C(OC1(O)CO)C;C[CH]1O[C](O)(CO)[CH](O)[CH]1O;CC1C(C(C(O1)(CO)O)O)O","InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1","6-deoxy-beta-L-fructose; 6-deoxy-L-fructose; 6-deoxy-fructose","2007-04-13","2020-07-17","6-deoxy-beta-L-fructofuranose",""],["6G5","4-chloro-L-tryptophan","C11 H11 Cl N2 O2","O=C(O)C(N)Cc1c[NH]c2cccc(Cl)c21;N[CH](Cc1c[nH]c2cccc(Cl)c12)C(O)=O;c1cc2c(c(c1)Cl)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1","","2021-08-05","2024-09-27","4-chloro-L-tryptophan","2022-08-03"],["LRI","6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine","C12 H13 Cl N4 S","c1c(scc1)CN(C2CC2)c3nc(nc(c3)Cl)N;Nc1nc(Cl)cc(n1)N(Cc2sccc2)C3CC3;c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3","InChI=1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16)","","2016-03-19","2016-08-12","6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine","2016-08-17"],["6G6","2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate","C13 H21 Cl2 N5 O16 P4","OP(=O)(O)OP(C(Cl)(Cl)P(O)(=O)OP(O)(=O)OCC1OC(C(C1O)OC)n2c[n+](C)c3c2nc(N)nc3[O-])(O)=O;CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[P](O)(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3c([O-])nc(N)nc23;C[n+]1cn(c2c1c(nc(n2)N)[O-])C3C(C(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC","InChI=1S/C13H21Cl2N5O16P4/c1-19-4-20(9-6(19)10(22)18-12(16)17-9)11-8(32-2)7(21)5(34-11)3-33-40(30,31)36-38(25,26)13(14,15)37(23,24)35-39(27,28)29/h4-5,7-8,11,21H,3H2,1-2H3,(H7-,16,17,18,22,23,24,25,26,27,28,29,30,31)/t5-,7-,8-,11-/m1/s1","","2016-04-05","2019-09-04","2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate","2017-05-10"],["LRK","(2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid","C11 H23 N2 O9 P","O=P(OCC(O)C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O;N[CH](CCCCN[CH](CO)C(=O)[CH](O)CO[P](O)(O)=O)C(O)=O;C(CCNC(CO)C(=O)C(COP(=O)(O)O)O)CC(C(=O)O)N","InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-8(5-14)10(16)9(15)6-22-23(19,20)21/h7-9,13-15H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1","","2014-11-17","2024-09-27","(2S)-2-amino-6-{[(2R,4R)-1,4-dihydroxy-3-oxo-5-(phosphonooxy)pentan-2-yl]amino}hexanoic acid (non-preferred name)","2015-01-14"],["6G7","5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C14 H10 F N3 O3","c3(cc(O)c(C=1N(C(=O)NN=1)c2c(F)cccc2)cc3)O;Oc1ccc(c(O)c1)C2=NNC(=O)N2c3ccccc3F;c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F","InChI=1S/C14H10FN3O3/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21)","","2016-04-05","2017-12-01","5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","2017-12-06"],["LRL","~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide","C25 H24 N4 O2 S","O=[S](=O)(NC[CH]1CC[CH](N1)c2ccc(cc2)c3cccnc3)c4cccc5cnccc45;c1cc2cnccc2c(c1)S(=O)(=O)NCC3CCC(N3)c4ccc(cc4)c5cccnc5","InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1","","2022-07-11","2024-06-14","~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide","2024-06-19"],["6G8","(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","C35 H42 F N5 O4","Cc1cc(ccc1C(=O)NC[CH]2C[CH](CN2C(=O)C3CC3)NC(=O)[CH]4C[CH](F)CN4)C#Cc5ccc(CN6CCOCC6)cc5;Cc1cc(ccc1C(=O)NCC2CC(CN2C(=O)C3CC3)NC(=O)C4CC(CN4)F)C#Cc5ccc(cc5)CN6CCOCC6","InChI=1S/C35H42FN5O4/c1-23-16-25(5-2-24-3-6-26(7-4-24)21-40-12-14-45-15-13-40)8-11-31(23)33(42)38-20-30-18-29(22-41(30)35(44)27-9-10-27)39-34(43)32-17-28(36)19-37-32/h3-4,6-8,11,16,27-30,32,37H,9-10,12-15,17-22H2,1H3,(H,38,42)(H,39,43)/t28-,29+,30+,32-/m0/s1","","2021-07-26","2022-09-02","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-09-07"],["LRM","2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium","C56 H79 N20 O38 P6","CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O)(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C(n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C(OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(OCC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)=O)O)=O)OC)C;CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[CH]2[CH](CO[P](O)(=O)O[CH]3[CH](CO[P](O)(=O)O[CH]4[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6c[n+](C)c7C(=O)N=C(N)Nc67)O[CH]([CH]4OC)n8cnc9c(ncnc89)N(C)C)O[CH]([CH]3OC)n%10cnc%11c(N)ncnc%10%11)O[CH]([CH]2OC)N%12C=CC(=NC%12=O)N)O[CH]1N%13C=CC(=O)N(C)C%13=O;C[n+]1cn(c2c1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O","InChI=1S/C56H78N20O38P6/c1-69(2)44-31-46(63-19-61-44)75(21-65-31)53-42(99-8)38(27(109-53)17-104-119(92,93)114-120(94,95)113-118(90,91)103-13-23-33(78)35(80)49(105-23)76-22-70(3)32-47(76)67-54(59)68-48(32)81)112-117(88,89)102-16-26-37(41(98-7)52(108-26)74-20-64-30-43(58)60-18-62-45(30)74)111-116(86,87)101-15-25-36(40(97-6)51(107-25)72-11-9-28(57)66-55(72)82)110-115(84,85)100-14-24-34(79)39(96-5)50(106-24)73-12-10-29(77)71(4)56(73)83/h9-12,18-27,33-42,49-53,78-80H,13-17H2,1-8H3,(H12-,57,58,59,60,62,66,67,68,81,82,84,85,86,87,88,89,90,91,92,93,94,95)/p+1/t23-,24-,25-,26-,27-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-,51-,52-,53-/m1/s1","","2019-03-13","2019-04-26","2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium (non-preferred name)","2019-05-01"],["6G9","2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid","C14 H8 Br2 N4 O4 S","OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3[nH]c(Br)c(Br)c3)sc2c1;c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br","InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)","","2016-05-23","2016-08-24","2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid","2016-08-31"],["6GA","(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide","C17 H17 F N2 O3","O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F;ONC(=O)[CH](Cc1ccc(F)cc1)C(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)C(Cc2ccc(cc2)F)C(=O)NO","InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1","","2016-04-05","2017-03-10","(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide","2017-03-15"],["LRN","1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one","C20 H36 N2 O2","O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1;CC(=O)N1CCC[CH](C1)N(CC2CCCCC2)[CH]3CC[CH](O)CC3;CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O","InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1","","2023-08-15","2024-09-27","1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one","2023-11-08"],["LRO","5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H14 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C;Cc1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1;Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H14N2O4/c1-8-2-4-9(5-3-8)6-7-10-11(13(18)19)15-14(20)16-12(10)17/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)","","2012-11-27","2013-11-22","5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-27"],["6GB","6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose","C12 H23 O14 P","O=P(O)(O)OCC2OC(OCC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O;O[CH]1O[CH](CO[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O","InChI=1S/C12H23O14P/c13-5-3(25-11(19)9(17)7(5)15)1-23-12-10(18)8(16)6(14)4(26-12)2-24-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1","gentiobiose 6-phosphate","2012-08-24","2020-07-17","6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose","2012-09-28"],["LRP","2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium","C24 H36 N10 O17 P3","n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP(OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+](c5)C)=O)O)=O)(O)=O)C(C6OC)O;CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3c[n+](C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(ncnc56)N(C)C;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O","InChI=1S/C24H35N10O17P3/c1-31(2)18-12-19(27-7-26-18)33(8-28-12)23-17(45-4)15(36)11(49-23)6-47-53(41,42)51-54(43,44)50-52(39,40)46-5-10-14(35)16(37)22(48-10)34-9-32(3)13-20(34)29-24(25)30-21(13)38/h7-11,14-17,22-23,35-37H,5-6H2,1-4H3,(H5-,25,29,30,38,39,40,41,42,43,44)/p+1/t10-,11-,14-,15-,16-,17-,22-,23-/m1/s1","","2019-03-13","2019-04-26","2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)","2019-05-01"],["6GC","N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide","C20 H21 F N4 O4","c1c(c(F)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(C)CCCC)=O)O)O;CCCCN(C)C(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccccc3F;CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F","InChI=1S/C20H21FN4O4/c1-3-4-9-24(2)19(28)13-10-12(16(26)11-17(13)27)18-22-23-20(29)25(18)15-8-6-5-7-14(15)21/h5-8,10-11,26-27H,3-4,9H2,1-2H3,(H,23,29)","","2016-04-05","2017-12-01","N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide","2017-12-06"],["6GD","6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine","C20 H19 F N4 O2 S","c3cc(cc4c(Nc1c2c(nn1)ccc(F)c2)ccnc34)S(C(C)(C)C)(=O)=O;CC(C)(C)[S](=O)(=O)c1ccc2nccc(Nc3[nH]nc4ccc(F)cc34)c2c1;CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F","InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)","","2016-04-06","2016-05-13","6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine","2016-05-18"],["LRQ","Bridged tetracyclic indole","C27 H27 F3 N2 O2","CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3C2)c5c(F)cc(C=CC(O)=O)cc5F;CC(C)(CN1C2CCCC1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)C=CC(=O)O)F)F","InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1","","2019-09-03","2019-10-25","","2019-10-30"],["6GE","4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol","C17 H16 N2 O3 S","N(c2c1cc(ccc1ncc2)S(C)(=O)=O)c3cc(ccc3C)O;Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O;Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O","InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)","","2016-04-06","2016-05-13","4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol","2016-05-18"],["LRR","1-(morpholin-4-yl)-4-phenylbutan-1-one","C14 H19 N O2","O=C(CCCc1ccccc1)N1CCOCC1;O=C(CCCc1ccccc1)N2CCOCC2;c1ccc(cc1)CCCC(=O)N2CCOCC2","InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2","","2022-03-04","2022-03-11","1-(morpholin-4-yl)-4-phenylbutan-1-one","2022-03-16"],["LRS","N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C25 H30 N8 O3","c3(cc2nc(N1CCOCC1)n(c2cc3NC(=O)c5c4ncccn4nc5)C)N6CCC(CC6)CO;Cn1c2cc(NC(=O)c3cnn4cccnc34)c(cc2nc1N5CCOCC5)N6CCC(CO)CC6;Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6","InChI=1S/C25H30N8O3/c1-30-21-13-20(28-24(35)18-15-27-33-6-2-5-26-23(18)33)22(31-7-3-17(16-34)4-8-31)14-19(21)29-25(30)32-9-11-36-12-10-32/h2,5-6,13-15,17,34H,3-4,7-12,16H2,1H3,(H,28,35)","","2019-03-13","2019-05-17","N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-05-22"],["6GF","6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine","C23 H22 N6 O","c4(N(Cc1ncccc1)Cc2ccccn2)cc(c3ccc(OC)cc3)nc(n4)N;COc1ccc(cc1)c2cc(nc(N)n2)N(Cc3ccccn3)Cc4ccccn4;COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4","InChI=1S/C23H22N6O/c1-30-20-10-8-17(9-11-20)21-14-22(28-23(24)27-21)29(15-18-6-2-4-12-25-18)16-19-7-3-5-13-26-19/h2-14H,15-16H2,1H3,(H2,24,27,28)","","2016-04-06","2017-03-03","6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine","2017-03-08"],["LRT","5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine","C14 H18 N4 O2 S","Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3;c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3","InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)","","2019-09-03","2020-09-25","5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine","2020-09-30"],["6GG","4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid","C35 H33 Cl2 F N4 O5","O=C(O)CCC(NCCCCCCOC(c2nc1cc(Cl)ccc1c2c4n(Cc3ccc(Cl)cc3)cnc4c5ccc(F)cc5)=O)=O;OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1c3n(Cc4ccc(Cl)cc4)cnc3c5ccc(F)cc5;c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl","InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45)","","2016-04-06","2017-05-12","4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid","2017-05-17"],["LRU","LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II)","C23 H19 N6 Ru","n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67;[Ru++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7;c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37","InChI=1S/2C10H8N2.C3H3N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3","","2001-10-02","2011-10-25","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)",""],["6GH","N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine","C20 H18 N6 S","c4c(CN(c2cc(c1ccsc1)nc(n2)N)Cc3ccccn3)nccc4;Nc1nc(cc(n1)c2cscc2)N(Cc3ccccn3)Cc4ccccn4;c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4","InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25)","","2016-04-06","2017-03-03","N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine","2017-03-08"],["LRV","(8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid","C38 H62 O18","C7(C(C(C(OC1C(OC(CO)C(C1OC2C(O)C(C(O)C(CO)O2)O)O)OC34CC6(CC3C)C(CC4)C5(C)CCCC(C(O)=O)(C5CC6)C)OC7CO)O)O)O;C[CH]1C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2CC[C]1(C3)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O;CC1CC23CCC4C(C2CCC1(C3)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(CCCC4(C)C(=O)O)C","InChI=1S/C38H62O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h16-33,39-48H,4-15H2,1-3H3,(H,49,50)/t16-,17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1","","2019-03-13","2019-06-07","(8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid","2019-06-12"],["6GI","13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine","C26 H23 N7 O3","NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5;c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N","InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1","","2022-02-10","2022-02-18","","2022-02-23"],["LRW","(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid","C10 H7 F3 O2","OC(=O)C=Cc1cccc(c1)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C=CC(=O)O","InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+","","2019-09-03","2020-04-17","(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid","2020-04-22"],["6GJ","(3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol","C11 H20 N2 O4 S","N(=C1/SCC2N1C(O)C(O)C(O)C2O)CCCC;CCCCN=C1SC[CH]2[CH](O)[CH](O)[CH](O)[CH](O)N12;CCCCN=C1N2C(CS1)C(C(C(C2O)O)O)O","InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-6(5-18-11)7(14)8(15)9(16)10(13)17/h6-10,14-17H,2-5H2,1H3/b12-11+/t6-,7+,8+,9-,10+/m1/s1","","2013-07-26","2014-04-18","(3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol","2014-04-23"],["LRX","squarunkin A","C25 H32 F3 N5 O4","CCOC(=O)N1CCC(CC1)NC2=C(NCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)C(=O)C2=O;CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3CCN(CC3)c4cccc(c4)C(F)(F)F","InChI=1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3","ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate","2022-07-11","2025-01-10","ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate","2025-01-15"],["6GK","6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine","C23 H22 N6 O","c2(cc(c1c(OC)cccc1)nc(n2)N)N(Cc3ncccc3)Cc4ncccc4;COc1ccccc1c2cc(nc(N)n2)N(Cc3ccccn3)Cc4ccccn4;COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4","InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)","","2016-04-06","2017-03-03","6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine","2017-03-08"],["LRY","N-acetylmannosamine-6-phosphate","C8 H16 N O9 P","O=P(OCC(O)C(O)C(O)C(C=O)NC(=O)C)(O)O;CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7-,8-/m1/s1","","2014-07-23","2014-10-10","2-(acetylamino)-2-deoxy-6-O-phosphono-D-mannose","2014-10-15"],["6GL","5-(phosphonooxy)-L-norvaline","C5 H12 N O6 P","O=C(O)C(N)CCCOP(=O)(O)O;N[CH](CCCO[P](O)(O)=O)C(O)=O;C(CC(C(=O)O)N)COP(=O)(O)O","InChI=1S/C5H12NO6P/c6-4(5(7)8)2-1-3-12-13(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1","","2013-07-31","2014-12-26","5-(phosphonooxy)-L-norvaline","2014-12-31"],["6GM","4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol","C22 H20 N6 O","c1cc(ccc1c2nc(N)nc(c2)N(Cc3ccccn3)Cc4ccccn4)O;Nc1nc(cc(n1)c2ccc(O)cc2)N(Cc3ccccn3)Cc4ccccn4;c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O","InChI=1S/C22H20N6O/c23-22-26-20(16-7-9-19(29)10-8-16)13-21(27-22)28(14-17-5-1-3-11-24-17)15-18-6-2-4-12-25-18/h1-13,29H,14-15H2,(H2,23,26,27)","","2016-04-06","2017-03-03","4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol","2017-03-08"],["LRZ","methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","C27 H32 N10 O7","COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1;COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCNC(=N)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C27H32N10O7/c1-43-25(41)14-7-13-3-4-15(9-16(13)17(38)8-14)36-27(42)31-6-2-5-30-26(29)32-10-18-20(39)21(40)24(44-18)37-12-35-19-22(28)33-11-34-23(19)37/h3-4,7-9,11-12,18,20-21,24,38-40H,2,5-6,10H2,1H3,(H2,28,33,34)(H3,29,30,32)(H2,31,36,42)/t18-,20-,21-,24-/m1/s1","","2019-09-03","2022-03-18","methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","2022-03-23"],["LS0","2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide","C16 H14 F N3 O","Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21;Cc1ccncc1NC(=O)Cn2ccc3ccc(F)cc23;Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)F","InChI=1S/C16H14FN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)","","2023-08-15","2023-11-03","2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["6GN","1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium","C33 H45 N5 O7 S2","C(N)COCCOCCNC(=O)CCC(NCCC[n+]3ccc(Cc2[n+](c1c(cccc1)s2)CCCS(O)(=O)=O)c4c3cccc4)=O;NCCOCCOCCNC(=O)CCC(=O)NCCC[n+]1ccc(Cc2sc3ccccc3[n+]2CCC[S](O)(=O)=O)c4ccccc14;c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O","InChI=1S/C33H43N5O7S2/c34-14-20-44-22-23-45-21-16-36-32(40)12-11-31(39)35-15-5-17-37-19-13-26(27-7-1-2-8-28(27)37)25-33-38(18-6-24-47(41,42)43)29-9-3-4-10-30(29)46-33/h1-4,7-10,13,19H,5-6,11-12,14-18,20-25,34H2,(H-2,35,36,39,40,41,42,43)/p+2","","2016-04-06","2016-05-20","1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium","2016-05-25"],["6GO","6-O-methylguanine","C6 H7 N5 O","n1c(OC)c2c(nc1N)ncn2;COc1nc(N)nc2nc[nH]c12;COc1c2c(nc[nH]2)nc(n1)N","InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)","6-methoxy-7H-purin-2-amine","2008-12-30","2021-03-01","6-methoxy-7H-purin-2-amine",""],["LS1","N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE","C16 H15 N3 O3 S","O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O;CN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1;CNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O","InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17-18H,1H3,(H,19,20)/b14-10-","","2001-11-19","2011-06-04","N-methyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide",""],["6GP","N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine","C9 H15 N O8","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC;COC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1","METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE; N-[methoxy(oxo)acetyl]-beta-D-glucosylamine;\nN-[methoxy(oxo)acetyl]-D-glucosylamine; N-[methoxy(oxo)acetyl]-glucosylamine","2006-01-25","2020-07-17","N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine",""],["LS2","N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE","C17 H15 N5 O3 S2","O=S(=O)(NC)Cc1ccc(cc1)N/N=C2C(=O)Nc4c2c3scnc3cc4;CN[S](=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1;CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O","InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23)","","2001-11-21","2011-06-04","N-methyl-1-{4-[(2Z)-2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide",""],["6GQ","N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide","C19 H24 N4 O3 S","O=C(CN(C)S(=O)(=O)c1ccc(C)cc1)N2CCN(CC2)c3ncccc3;CN(CC(=O)N1CCN(CC1)c2ccccn2)[S](=O)(=O)c3ccc(C)cc3;Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3","InChI=1S/C19H24N4O3S/c1-16-6-8-17(9-7-16)27(25,26)21(2)15-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10H,11-15H2,1-2H3","","2016-04-06","2016-04-29","N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide","2016-05-04"],["LS3","3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE","C20 H15 N3 O4 S","O=C3Nc2ccc(c1ocnc1)cc2/C3=C/Nc4ccc5c(c4)CS(=O)(=O)C5;O=C1Nc2ccc(cc2C1=CNc3ccc4C[S](=O)(=O)Cc4c3)c5ocnc5;c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2","InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,22H,9-10H2,(H,23,24)/b17-7-","","2001-11-21","2011-06-04","(3Z)-3-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one",""],["LS4","4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE","C18 H14 N4 O3 S2","O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4;O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4;c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2","InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-","","2001-11-19","2011-06-04","4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide",""],["6GR","2-(alpha-L-altropyranosyloxy)benzoic acid","C13 H16 O8","C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO;OC[CH]1O[CH](Oc2ccccc2C(O)=O)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1","2-(alpha-L-altrosyloxy)benzoic acid; 2-(L-altrosyloxy)benzoic acid; 2-(altrosyloxy)benzoic acid","2016-04-07","2020-07-17","2-(alpha-L-altropyranosyloxy)benzoic acid","2019-10-09"],["LS5","3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE","C16 H15 N5 O3 S","O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O;NC(=N)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1;c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N)N)C(=O)N2","InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-","","2001-11-21","2011-06-04","N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide",""],["6GS","2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)","C10 H15 F N2 O11 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)(C2O)C;C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F","InChI=1S/C10H15FN2O11P2/c1-10(11)7(15)5(4-22-26(20,21)24-25(17,18)19)23-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1","","2014-10-30","2025-03-25","2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)","2015-02-11"],["LS6","(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide","C16 H22 N2 O2","ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1;ONC(=O)C=CC1CCN(CC1)CCc2ccccc2;c1ccc(cc1)CCN2CCC(CC2)C=CC(=O)NO","InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)","","2022-03-04","2022-04-01","(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide","2022-04-06"],["6GT","2-oxoheptanedioic acid","C7 H10 O5","O=C(CCCCC(C(=O)O)=O)O;OC(=O)CCCCC(=O)C(O)=O;C(CCC(=O)O)CC(=O)C(=O)O","InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)","2-Ketopimelic acid","2016-04-07","2020-06-17","2-oxoheptanedioic acid","2016-08-17"],["6GU","6-chloroguanine","C5 H4 Cl N5","Clc2nc(nc1c2ncn1)N;Nc1nc(Cl)c2nc[nH]c2n1;c1[nH]c2c(n1)c(nc(n2)N)Cl","InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)","6-chloro-9H-purin-2-amine","2008-08-26","2021-03-01","6-chloro-9H-purin-2-amine",""],["LS7","N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C21 H23 N5 O3","c51c(cc(c(c1)NC(=O)c2cnn3c2nccc3)N4CCOCC4)OC(C5)(C)C;CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N5CCOCC5;CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C","InChI=1S/C21H23N5O3/c1-21(2)12-14-10-16(17(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)15-13-23-26-5-3-4-22-19(15)26/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27)","","2019-03-13","2019-05-17","N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-05-22"],["LS8","4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide","C19 H17 N3 O4 S","COc1cc(ccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)C(=Cc3c2)C)C#N;CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N","InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3","","2017-01-26","2017-08-04","4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide","2017-08-09"],["6GV","5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide","C18 H19 F N4 O5 S","c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)C(C)C)O;CC(C)N(C)[S](=O)(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccccc3F;CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F","InChI=1S/C18H19FN4O5S/c1-10(2)22(3)29(27,28)16-8-11(14(24)9-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-10,24-25H,1-3H3,(H,21,26)","","2016-04-07","2017-12-01","5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide","2017-12-06"],["LS9","pyridin-3-ylboronic acid","C5 H6 B N O2","OB(O)c1cccnc1;B(c1cccnc1)(O)O","InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H","","2022-07-11","2023-08-11","pyridin-3-ylboronic acid","2023-08-16"],["6GW","2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide","C22 H20 N4 O4 S","c1c(c(C)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(Cc4cccs4)C)=O)O)O;CN(Cc1sccc1)C(=O)c2cc(c(O)cc2O)C3=NNC(=O)N3c4ccccc4C;Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4","InChI=1S/C22H20N4O4S/c1-13-6-3-4-8-17(13)26-20(23-24-22(26)30)15-10-16(19(28)11-18(15)27)21(29)25(2)12-14-7-5-9-31-14/h3-11,27-28H,12H2,1-2H3,(H,24,30)","","2016-04-07","2017-12-01","2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide","2017-12-06"],["LSA","1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE","C7 H5 N O3 S","O=C2c1ccccc1S(=O)(=O)N2;O=C1N[S](=O)(=O)c2ccccc12;c1ccc2c(c1)C(=O)NS2(=O)=O","InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)","SACCHARIN","2007-06-05","2024-09-27","1,2-benzisothiazol-3(2H)-one 1,1-dioxide",""],["6GX","N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide","C25 H29 N3 O3","O(C)c1c(CNCCNC(=O)C)ccc(n1)OCc2c(c(ccc2)c3ccccc3)C;COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC(C)=O;Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C","InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)","","2016-04-07","2016-04-22","N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide","2016-04-27"],["6GY","5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine","C29 H39 Cl N7 O2 P","c1(cnc(nc1Nc2c(P(C)(=O)C)cccc2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl;COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3[P](C)(C)=O)n2)N4CCC(CC4)N5CCN(C)CC5;CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl","InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)","Brigatinib","2016-04-07","2021-03-01","5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine","2016-05-25"],["LSB","(4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one","C29 H43 N O6","O=C2OC(c1ccccc1)C(N2C(=O)C(CC)C(O)C(C)CC4(OC4CCC3(OC3C)CC)CC)C;CC[CH]([CH](O)[CH](C)C[C]1(CC)O[CH]1CC[C]2(CC)O[CH]2C)C(=O)N3[CH](C)[CH](OC3=O)c4ccccc4;CCC(C(C(C)CC1(C(O1)CCC2(C(O2)C)CC)CC)O)C(=O)N3C(C(OC3=O)c4ccccc4)C","InChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24(31)18(4)17-29(9-3)23(36-29)15-16-28(8-2)20(6)35-28/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20+,22+,23+,24-,25+,28+,29+/m0/s1","(4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one","2011-04-13","2024-02-19","(4R,5S)-3-{(2R,3S,4S)-2-ethyl-5-[(2R,3R)-2-ethyl-3-{2-[(2R,3R)-2-ethyl-3-methyloxiran-2-yl]ethyl}oxiran-2-yl]-3-hydroxy-4-methylpentanoyl}-4-methyl-5-phenyl-1,3-oxazolidin-2-one (non-preferred name)",""],["6GZ","(2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid","C27 H28 Br N O3","Brc2cc(CN1C(C(O)=O)CCCC1)ccc2OCc3cccc(c3C)c4ccccc4;Cc1c(COc2ccc(CN3CCCC[CH]3C(O)=O)cc2Br)cccc1c4ccccc4;Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCCC4C(=O)O","InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)/t25-/m1/s1","","2016-04-08","2016-04-22","(2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid","2016-04-27"],["LSC","(4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide","C26 H53 N O7 P","O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC/C=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12+/t25-/m1/s1","","2011-10-14","2012-04-20","(4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",""],["LSD","Lasalocid A","C34 H54 O8","O=C(O)c1c(O)c(ccc1CCC(C)C(O)C(C(=O)C(CC)C2OC(CC2C)(C3OC(C)C(O)(CC)CC3)CC)C)C;CC[CH]([CH]1O[C](CC)(C[CH]1C)[CH]2CC[C](O)(CC)[CH](C)O2)C(=O)[CH](C)[CH](O)[CH](C)CCc3ccc(C)c(O)c3C(O)=O;CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCc3ccc(c(c3C(=O)O)O)C)O","InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1","6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","2015-01-09","2021-03-13","6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","2015-01-21"],["6H0","~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide","C19 H23 N3 O5 S","N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(OCCCCNC=O)c2;c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C19H23N3O5S/c20-28(25,26)18-8-6-16(7-9-18)19(24)22-13-15-4-3-5-17(12-15)27-11-2-1-10-21-14-23/h3-9,12,14H,1-2,10-11,13H2,(H,21,23)(H,22,24)(H2,20,25,26)","","2016-05-24","2024-08-27","~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide","2017-03-01"],["LSE","2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside","C18 H36 O10 Se Si","O(C1C(OC(OCC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C(O)C2O)CO;C[Se]C[CH]1O[CH](OCC[Si](C)(C)C)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;C[Si](C)(C)CCOC1C(C(C(C(O1)C[Se]C)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1","","2013-12-03","2020-02-14","2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside","2014-11-05"],["6H1","6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol","C15 H11 F3 O3","c1(ccc(cc1)C(F)(F)F)Cc3c(cc2OCOc2c3)O;Oc1cc2OCOc2cc1Cc3ccc(cc3)C(F)(F)F;c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F","InChI=1S/C15H11F3O3/c16-15(17,18)11-3-1-9(2-4-11)5-10-6-13-14(7-12(10)19)21-8-20-13/h1-4,6-7,19H,5,8H2","","2016-04-08","2024-09-27","6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol","2016-05-04"],["6H2","4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol","C13 H10 N2 O2","c3(c1cn2c(n1)cccc2)cc(c(cc3)O)O;Oc1ccc(cc1O)c2cn3ccccc3n2;c1ccn2cc(nc2c1)c3ccc(c(c3)O)O","InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H","","2016-04-08","2016-04-29","4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol","2016-05-04"],["LSF","N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide","C17 H17 N3 O3","Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1;Cc1ccncc1NC(=O)Cc2cccc(O[CH]3CC(=O)N3)c2;Cc1ccncc1NC(=O)Cc2cccc(c2)OC3CC(=O)N3","InChI=1S/C17H17N3O3/c1-11-5-6-18-10-14(11)19-15(21)8-12-3-2-4-13(7-12)23-17-9-16(22)20-17/h2-7,10,17H,8-9H2,1H3,(H,19,21)(H,20,22)/t17-/m1/s1","","2023-08-15","2023-11-03","N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide","2023-11-08"],["LSG","5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide","C16 H17 F I N3 O4","Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C(=O)NOCCO;Cn1c(Nc2ccc(I)cc2F)c(cc1C(C)=O)C(=O)NOCCO;CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO","InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24)","","2010-04-08","2011-06-04","5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide",""],["6H3","N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide","C24 H28 Cl N7 O","c3(cnc(Nc1ccc(cc1)N2CCN(C)CC2)nc3Nc4ccccc4NC(=O)CC)Cl;CCC(=O)Nc1ccccc1Nc2nc(Nc3ccc(cc3)N4CCN(C)CC4)ncc2Cl;CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl","InChI=1S/C24H28ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h4-11,16H,3,12-15H2,1-2H3,(H,28,33)(H2,26,27,29,30)","","2016-04-08","2024-09-27","N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide","2017-02-15"],["LSH","[(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate","C11 H16 N3 O10 P S","CC1=CN([CH]2O[C]3(CO[P](O)(O)=O)C[S](=O)(=O)N[CH]2[CH]3O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3)COP(=O)(O)O)O","InChI=1S/C11H16N3O10PS/c1-5-2-14(10(17)12-8(5)16)9-6-7(15)11(24-9,3-23-25(18,19)20)4-26(21,22)13-6/h2,6-7,9,13,15H,3-4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,9-,11+/m1/s1","","2015-08-05","2016-07-15","[(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate","2016-07-20"],["6H4","N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide","C24 H25 Cl N6 O2","c2c(ccc(N1CCN(C)CC1)c2)Nc4ncc(Cl)c(Oc3ccccc3NC(C=C)=O)n4;CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Oc4ccccc4NC(=O)C=C)n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl","InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)","","2016-04-08","2024-09-27","N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide","2017-02-15"],["LSI","ruthenocenyl-7-aminodesacetoxycephalosporanic acid","C22 H22 N2 O5 Ru S","O=C1C(C2SCC(C)=C(C(=O)O)N12)NC(=O)CCC(=O)C%10%13[Ru]84569%12%11(C7C3C4C5C67)C(C9%10)C%11C%12%13;[Ru].CC1=C(N2[CH](SC1)[CH](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4CCCC4;CC1=C(N2C(C(C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O","InChI=1S/C17H17N2O5S.C5H5.Ru/c1-9-8-25-16-13(15(22)19(16)14(9)17(23)24)18-12(21)7-6-11(20)10-4-2-3-5-10;1-2-4-5-3-1;/h2-5,13,16H,6-8H2,1H3,(H,18,21)(H,23,24);1-5H;/t13-,16-;;/m1../s1","","2017-01-19","2017-02-03","[(1,2,3,4,5-eta)-1-{4-[(2-carboxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)amino]-4-oxobutanoyl}cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2017-02-08"],["6H5","4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine","C30 H35 N5 O5","N(C(=N)NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)C(=O)c4ccc(cc4)CC(C(=O)O)N;COc1cccc(Oc2cccc(N3CCCCC3)c2CNC(=N)NC(=O)c4ccc(C[CH](N)C(O)=O)cc4)c1;COc1cccc(c1)Oc2cccc(c2CNC(=N)NC(=O)c3ccc(cc3)CC(C(=O)O)N)N4CCCCC4","InChI=1S/C30H35N5O5/c1-39-22-7-5-8-23(18-22)40-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)21-13-11-20(12-14-21)17-25(31)29(37)38/h5-14,18,25H,2-4,15-17,19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1","","2016-04-08","2016-05-20","4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine","2016-05-25"],["6H6","3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid","C10 H9 N O4","[O-]C(=O)CCN1c2ccccc2OC1=O;OC(=O)CCN1C(=O)Oc2ccccc12;c1ccc2c(c1)N(C(=O)O2)CCC(=O)O","InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)/p-1","","2013-02-07","2014-02-21","3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoate","2014-02-26"],["LSJ","N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide","C25 H25 N O4 S","O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC)ccc3)cccc4)CC)C;CCC(c1cccc(N[S](C)(=O)=O)c1)=C2c3ccccc3OCc4cccc(OC)c24;CCC(=C1c2ccccc2OCc3c1c(ccc3)OC)c4cccc(c4)NS(=O)(=O)C","InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20-","","2013-08-14","2014-01-24","N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide","2014-01-29"],["LSK","methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","C29 H36 N10 O7","COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1;COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCCNC(=N)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C29H36N10O7/c1-45-27(43)16-9-15-5-6-17(11-18(15)19(40)10-16)38-29(44)33-8-4-2-3-7-32-28(31)34-12-20-22(41)23(42)26(46-20)39-14-37-21-24(30)35-13-36-25(21)39/h5-6,9-11,13-14,20,22-23,26,40-42H,2-4,7-8,12H2,1H3,(H2,30,35,36)(H3,31,32,34)(H2,33,38,44)/t20-,22-,23-,26-/m1/s1","","2019-09-03","2022-03-18","methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","2022-03-23"],["6H7","(1S,4R,5S,6S)-3-{[(3S,5S)-5-carbamoylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","C15 H21 N3 O5 S","OC(C)C1C(=O)N2C(=C(SC3CC(NC3)C(N)=O)C(C)C12)C(=O)O;C[CH](O)[CH]1[CH]2[CH](C)C(=C(N2C1=O)C(O)=O)S[CH]3CN[CH](C3)C(N)=O;CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N)C(=O)O)C(C)O","InChI=1S/C15H21N3O5S/c1-5-10-9(6(2)19)14(21)18(10)11(15(22)23)12(5)24-7-3-8(13(16)20)17-4-7/h5-10,17,19H,3-4H2,1-2H3,(H2,16,20)(H,22,23)/t5-,6-,7+,8+,9-,10-/m1/s1","ertapenem","2021-08-05","2022-07-01","(1S,4R,5S,6S)-3-{[(3S,5S)-5-carbamoylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","2022-07-06"],["LSL","N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide","C13 H14 N2 O2 S","ONC(=O)c1ccc(CNCc2ccsc2)cc1;ONC(=O)c1ccc(CNCc2cscc2)cc1;c1cc(ccc1CNCc2ccsc2)C(=O)NO","InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16)","","2022-03-04","2022-04-01","N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide","2022-04-06"],["6H8","N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine","C9 H12 N6","c12c(ccc(NC(=N)N)c1)nc(n2)NC;CNc1[nH]c2cc(NC(N)=N)ccc2n1;CNc1[nH]c2cc(ccc2n1)NC(=N)N","InChI=1S/C9H12N6/c1-12-9-14-6-3-2-5(13-8(10)11)4-7(6)15-9/h2-4H,1H3,(H4,10,11,13)(H2,12,14,15)","","2016-04-11","2017-05-19","N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine","2017-05-24"],["LSM","dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside","C24 H46 O10 Se","O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1","DODECYL-BETA-D-SELENOMALTOSIDE","2011-08-09","2020-06-17","dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside",""],["6H9","2-(methylamino)-1H-benzimidazole-5-carbohydrazide","C9 H11 N5 O","c2(nc1c(cc(cc1)C(=O)NN)n2)NC;CNc1[nH]c2ccc(cc2n1)C(=O)NN;CNc1[nH]c2ccc(cc2n1)C(=O)NN","InChI=1S/C9H11N5O/c1-11-9-12-6-3-2-5(8(15)14-10)4-7(6)13-9/h2-4H,10H2,1H3,(H,14,15)(H2,11,12,13)","","2016-04-11","2017-05-19","2-(methylamino)-1H-benzimidazole-5-carbohydrazide","2017-05-24"],["6HA","1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL","C11 H16 N5 O6 P","O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)C3;c1nc(c2c(n1)n(cn2)C3CC(C(OC3)COP(=O)(O)O)O)N","InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(17)8(21-2-6)3-22-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m0/s1","","1999-07-23","2011-06-04","2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol",""],["LSN","[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol","C22 H23 Cl N6 O","CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4;CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl","InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)","Losartan","2017-02-01","2021-03-01","[2-butyl-5-chloranyl-3-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol","2017-10-25"],["6HB","2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)","C14 H20 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCC(O)/C=C)CC3O;O[CH](CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C=C;C=CC(CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)O","InChI=1S/C14H20N5O7P/c1-2-8(20)4-15-13-12-14(17-6-16-13)19(7-18-12)11-3-9(21)10(26-11)5-25-27(22,23)24/h2,6-11,20-21H,1,3-5H2,(H,15,16,17)(H2,22,23,24)/t8-,9-,10+,11+/m0/s1","","2014-04-18","2014-10-03","2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)","2014-10-08"],["LSO","(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE","C16 H26 N2 O9 S","O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O;N[CH](CCCCN=C(CCC(O)=O)C[S](=O)(=O)CC(=O)CCC(O)=O)C(O)=O;C(CCN=C(CCC(=O)O)CS(=O)(=O)CC(=O)CCC(=O)O)CC(C(=O)O)N","InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1","2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID","2005-09-11","2024-09-27","(E)-N~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-L-lysine",""],["LSP","(7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE","C7 H17 N O7 P","O=C(OCC(O)COP(=O)(OCC[NH3+])O)C;CC(=O)OC[CH](O)CO[P](O)(=O)OCC[NH3+];CC(=O)OCC(COP(=O)(O)OCC[NH3+])O","InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p+1/t7-/m0/s1","1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","2006-02-01","2021-03-01","(4S,7S)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide",""],["6HC","1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL","C10 H16 N3 O7 P","O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO[P](O)(O)=O)[CH](O)C2;C1C(COC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C10H16N3O7P/c11-9-1-2-13(10(15)12-9)6-3-7(14)8(19-4-6)5-20-21(16,17)18/h1-2,6-8,14H,3-5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,8+/m0/s1","","1999-07-23","2011-06-04","2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol",""],["LSQ","3-(3-chlorophenyl)propanoic acid","C9 H9 Cl O2","OC(=O)CCc1cccc(Cl)c1;c1cc(cc(c1)Cl)CCC(=O)O","InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)","","2019-09-03","2020-04-17","3-(3-chlorophenyl)propanoic acid","2020-04-22"],["6HD","2-(methylamino)-1H-benzimidazole-5-carboxamide","C9 H10 N4 O","O=C(N)c1ccc2c(c1)nc(n2)NC;CNc1[nH]c2ccc(cc2n1)C(N)=O;CNc1[nH]c2ccc(cc2n1)C(=O)N","InChI=1S/C9H10N4O/c1-11-9-12-6-3-2-5(8(10)14)4-7(6)13-9/h2-4H,1H3,(H2,10,14)(H2,11,12,13)","","2016-04-11","2017-05-19","2-(methylamino)-1H-benzimidazole-5-carboxamide","2017-05-24"],["6HE","6-METHY-6-DEPROPIONATEHEMIN","C32 H30 Fe N4 O2","O=C(O)CCc8c(c1n5c8C=C4C(=C(C3=Cc6c(C=C)c(c7C=C2C(C=C)=C(C(=C1)N2[Fe]5(N34)n67)C)C)C)C)C;CC1=C(C)C2=Cc3n4c(C=C5[N]6C(=Cc7n8c(C=C1[N]2[Fe]468)c(CCC(O)=O)c7C)C(=C5C=C)C)c(C)c3C=C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C","InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-27-20(7)23(10-11-32(37)38)31(36-27)14-25-17(4)16(3)24(33-25)13-29-22(9-2)19(6)28(35-29)15-30(21)34-26;/h8-9,12-15H,1-2,10-11H2,3-7H3,(H,37,38);/q-4;+4/b24-13-,25-14-,26-12-,27-12-,28-15-,29-13-,30-15-,31-14-;","","2007-03-29","2011-06-04","[3-(8,13-diethenyl-3,7,12,17,18-pentamethyl-22,24-dihydroporphyrin-2-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)propanoato(4-)]iron",""],["LSR","1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene","C15 H24","C(/C1=C(CCCC1(C)C)C)=CC(=CC)C;CC=C(C)C=CC1=C(C)CCCC1(C)C;CC=C(C)C=CC1=C(CCCC1(C)C)C","InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+","","2008-04-17","2024-09-27","1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene",""],["6HF","N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide","C26 H27 N7 O2","CN1CCN(CC1)c2ccc(cc2)Nc5nc3nccc3c(Oc4ccc(cc4)NC(=O)[C@H]=C)n5;CN1CCN(CC1)c2ccc(Nc3nc4[nH]ccc4c(Oc5ccc(NC(=O)C=C)cc5)n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C","InChI=1S/C26H27N7O2/c1-3-23(34)28-18-6-10-21(11-7-18)35-25-22-12-13-27-24(22)30-26(31-25)29-19-4-8-20(9-5-19)33-16-14-32(2)15-17-33/h3-13H,1,14-17H2,2H3,(H,28,34)(H2,27,29,30,31)","CPT-1691; N-{4-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide","2016-04-11","2024-09-27","N-{4-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide","2017-02-15"],["LSS","5'-O-(L-leucylsulfamoyl)adenosine","C16 H25 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C;CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1","5-O-N-LEUCYL-SULFAMOYLADENOSINE","2013-01-11","2021-03-01","5'-O-(L-leucylsulfamoyl)adenosine","2013-02-22"],["LST","[(1R,5R,7R,8S)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate","C12 H18 N3 O10 P S","CN1[CH]2[CH](O)[C](CO[P](O)(O)=O)(C[S]1(=O)=O)O[CH]2N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O","InChI=1S/C12H18N3O10PS/c1-6-3-15(11(18)13-9(6)17)10-7-8(16)12(25-10,4-24-26(19,20)21)5-27(22,23)14(7)2/h3,7-8,10,16H,4-5H2,1-2H3,(H,13,17,18)(H2,19,20,21)/t7-,8+,10-,12+/m1/s1","","2015-08-07","2016-07-15","[(1R,5R,7R,8S)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate","2016-07-20"],["6HG","1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL","C11 H16 N5 O7 P","O=C2NC(=Nc1n(cnc12)C3CC(O)C(OC3)COP(=O)(O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)C3;c1nc2c(n1C3CC(C(OC3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)5-1-6(17)7(22-2-5)3-23-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6-,7+/m0/s1","","1999-07-23","2011-06-04","2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol",""],["LSU","5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine","C15 H24 N4 O9 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)N","InChI=1S/C15H24N4O9S/c1-7(2)5-8(16)13(23)18-29(25,26)27-6-9-11(21)12(22)14(28-9)19-4-3-10(20)17-15(19)24/h3-4,7-9,11-12,14,21-22H,5-6,16H2,1-2H3,(H,18,23)(H,17,20,24)/t8-,9+,11+,12+,14+/m0/s1","","2018-12-14","2019-04-12","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2019-04-17"],["6HH","1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid","C23 H21 Cl N2 O2","c4c(C1(CCCC1)C(=O)O)ccc(c2cc(c(N)nc2)c3ccc(cc3)Cl)c4;Nc1ncc(cc1c2ccc(Cl)cc2)c3ccc(cc3)C4(CCCC4)C(O)=O;c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O","InChI=1S/C23H21ClN2O2/c24-19-9-5-16(6-10-19)20-13-17(14-26-21(20)25)15-3-7-18(8-4-15)23(22(27)28)11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H2,25,26)(H,27,28)","","2016-04-11","2017-04-14","1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid","2017-04-19"],["6HI","(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid","C27 H31 F2 N3 O5","O=C(NCc1ccc(F)cc1)c2nc(c(n2C(C)C)CCC(O)CC(O)CC(=O)O)c3ccc(F)cc3;CC(C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(nc1C(=O)NCc2ccc(F)cc2)c3ccc(F)cc3;CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C27H31F2N3O5/c1-16(2)32-23(12-11-21(33)13-22(34)14-24(35)36)25(18-5-9-20(29)10-6-18)31-26(32)27(37)30-15-17-3-7-19(28)8-4-17/h3-10,16,21-22,33-34H,11-15H2,1-2H3,(H,30,37)(H,35,36)/t21-,22-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid",""],["LSV","N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C21 H23 N5 O4","c45cc(NC(c1c2n(nc1)cccn2)=O)c(N3CCOCC3)cc4OC(C5)(C)CO;C[C]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N5CCOCC5;CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO","InChI=1S/C21H23N5O4/c1-21(13-27)11-14-9-16(17(10-18(14)30-21)25-5-7-29-8-6-25)24-20(28)15-12-23-26-4-2-3-22-19(15)26/h2-4,9-10,12,27H,5-8,11,13H2,1H3,(H,24,28)/t21-/m1/s1","","2019-03-13","2019-05-17","N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-05-22"],["LSW","N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan","C27 H34 N4 O5","NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O;c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O","InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1","","2010-02-23","2011-06-04","(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid",""],["6HJ","(R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one","C22 H23 N7 O","c12ncnc(c1c(nn2C3CN(C(/C=C)=O)CCC3)c5c4ccccc4n(c5)C)N;Cn1cc(c2ccccc12)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35;Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C=C)N","InChI=1S/C22H23N7O/c1-3-18(30)28-10-6-7-14(11-28)29-22-19(21(23)24-13-25-22)20(26-29)16-12-27(2)17-9-5-4-8-15(16)17/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H2,23,24,25)/t14-/m1/s1","","2016-04-12","2024-09-27","1-{(3R)-3-[4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one","2016-08-17"],["LSX","[(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid","C12 H18 N O6 P","O=P(O)(O)C(c1ccc(OC)cc1)CCC(=O)N(O)C;COc1ccc(cc1)[CH](CCC(=O)N(C)O)[P](O)(O)=O;CN(C(=O)CCC(c1ccc(cc1)OC)P(=O)(O)O)O","InChI=1S/C12H18NO6P/c1-13(15)12(14)8-7-11(20(16,17)18)9-3-5-10(19-2)6-4-9/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)/t11-/m0/s1","","2012-10-04","2014-11-21","[(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid","2014-11-26"],["6HK","methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate","C20 H18 N4 O3","O=C(OC)Cc3cc4NC(=O)c2c(cc(c1cncn1C)cc2)Nc4cc3;COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)c4cncn4C;Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC","InChI=1S/C20H18N4O3/c1-24-11-21-10-18(24)13-4-5-14-16(9-13)22-15-6-3-12(8-19(25)27-2)7-17(15)23-20(14)26/h3-7,9-11,22H,8H2,1-2H3,(H,23,26)","","2012-07-06","2012-08-17","methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate",""],["LSY","N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide","C6 H14 N4 O2","CN(C)C(NNC(=O)N(C)C)=O;CN(C)C(=O)NNC(=O)N(C)C;CN(C)C(=O)NNC(=O)N(C)C","InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12)","","2019-03-13","2020-03-27","N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide","2020-04-01"],["6HL","(R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one","C23 H22 N6 O","c12ncnc(c1c(nn2C3CN(C([C@H]=C)=O)CCC3)c5c4ccccc4ccc5)N;Nc1ncnc2n(nc(c3cccc4ccccc34)c12)[CH]5CCCN(C5)C(=O)C=C;C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N","InChI=1S/C23H22N6O/c1-2-19(30)28-12-6-9-16(13-28)29-23-20(22(24)25-14-26-23)21(27-29)18-11-5-8-15-7-3-4-10-17(15)18/h2-5,7-8,10-11,14,16H,1,6,9,12-13H2,(H2,24,25,26)/t16-/m1/s1","","2016-04-12","2024-09-27","1-{(3R)-3-[4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one","2016-08-17"],["4HH","4'-phosphopanthetheine-serine","C14 H28 N3 O9 P S","O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C;CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1","O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine","2015-09-08","2024-09-27","O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine","2015-09-23"],["LSZ","~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide","C32 H36 N6 O5","CCOc1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)CC4)cc3)cc(c2)c5ccn(C)n5)C(C)=O;CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C","InChI=1S/C32H36N6O5/c1-5-42-29-8-6-22(21(2)39)19-28(29)34-31(40)24-16-23(27-10-11-37(4)35-27)17-25(18-24)33-32(41)30-9-7-26(43-30)20-38-14-12-36(3)13-15-38/h6-11,16-19H,5,12-15,20H2,1-4H3,(H,33,41)(H,34,40)","","2019-09-03","2020-09-25","~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide","2020-09-30"],["4HI","(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid","C27 H32 F N3 O5","O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NCc3ccccc3)C(C)C;CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(nc1C(=O)NCc2ccccc2)c3ccc(F)cc3;CC(C)c1c(nc(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3","InChI=1S/C27H32FN3O5/c1-17(2)25-24(27(36)29-16-18-6-4-3-5-7-18)30-26(19-8-10-20(28)11-9-19)31(25)13-12-21(32)14-22(33)15-23(34)35/h3-11,17,21-22,32-33H,12-16H2,1-2H3,(H,29,36)(H,34,35)/t21-,22-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid",""],["LT0","D-tryptophyl-L-serine","C14 H17 N3 O4","N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)NC(CO)C(=O)O)N","InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1","(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid; D-Trp-Ser dipeptide","2022-07-12","2022-10-07","(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid","2022-10-12"],["LT1","(3-chloropropyl)benzene","C9 H11 Cl","ClCCCc1ccccc1;ClCCCc1ccccc1;c1ccc(cc1)CCCCl","InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2","","2009-02-17","2011-06-04","(3-chloropropyl)benzene",""],["4HJ","O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine","C21 H32 N3 O11 P S","NC(COP(O)(OCC(C)(C)C(C(NCCC(NCCSC(c1c(cccc1)O)=O)=O)=O)O)=O)C(=O)O;CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O;CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O","InChI=1S/C21H32N3O11PS/c1-21(2,12-35-36(32,33)34-11-14(22)19(29)30)17(27)18(28)24-8-7-16(26)23-9-10-37-20(31)13-5-3-4-6-15(13)25/h3-6,14,17,25,27H,7-12,22H2,1-2H3,(H,23,26)(H,24,28)(H,29,30)(H,32,33)/t14-,17-/m0/s1","","2015-09-08","2024-09-27","O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine","2015-09-23"],["LT2","(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione","C8 H7 N O3","O=C1C=C2C(=CC1=O)NCC2O;O[CH]1CNC2=CC(=O)C(=O)C=C12;C1C(C2=CC(=O)C(=O)C=C2N1)O","InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m1/s1","","2009-05-08","2011-06-04","(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione",""],["4HK","5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile","C22 H20 N4 O2","N#Cc1ncc(cc1)c2c5c(nn2)c4cc(c(OC3CCOC3)cc4C5)CC;CCc1cc2c(Cc3c([nH]nc23)c4ccc(nc4)C#N)cc1O[CH]5CCOC5;CCc1cc-2c(cc1OC3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N","InChI=1S/C22H20N4O2/c1-2-13-7-18-15(9-20(13)28-17-5-6-27-12-17)8-19-21(25-26-22(18)19)14-3-4-16(10-23)24-11-14/h3-4,7,9,11,17H,2,5-6,8,12H2,1H3,(H,25,26)/t17-/m0/s1","","2012-07-05","2012-08-17","5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile",""],["4HL","(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate","C16 H17 N3 O5","O=C1C=C([O-])/C(C=C1CC(C(=O)O)N)=[NH+]/NCc2ccc(O)cc2;N[CH](CC1=CC(=[NH+]NCc2ccc(O)cc2)C(=CC1=O)[O-])C(O)=O;c1cc(ccc1CN[NH+]=C2C=C(C(=O)C=C2[O-])CC(C(=O)O)N)O","InChI=1S/C16H17N3O5/c17-12(16(23)24)5-10-6-13(15(22)7-14(10)21)19-18-8-9-1-3-11(20)4-2-9/h1-4,6-7,12,18,20,22H,5,8,17H2,(H,23,24)/b19-13+/t12-/m0/s1","","2006-11-30","2024-09-27","(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate",""],["LT3","(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine","C12 H12 F3 N","FC(F)(F)c1cccc2c1C3CCC2C3N;N[CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F;c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N","InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1","","2009-05-08","2011-06-04","(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine",""],["LT4","Norepinephrine","C8 H11 N O3","Oc1ccc(cc1O)C(O)CN;NC[CH](O)c1ccc(O)c(O)c1;c1cc(c(cc1C(CN)O)O)O","InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1","Noradrenaline","2009-05-08","2012-05-16","4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol",""],["4HM","4-HYDROPEROXY-2-METHOXY-PHENOL","C7 H8 O4","Oc1ccc(OO)cc1OC;COc1cc(OO)ccc1O;COc1cc(ccc1O)OO","InChI=1S/C7H8O4/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4,8-9H,1H3","","2001-01-05","2011-06-04","4-hydroperoxy-2-methoxyphenol",""],["LT5","(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol","C9 H10 F3 N O","FC(F)(F)c1cccc(c1)C(O)CN;NC[CH](O)c1cccc(c1)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C(CN)O","InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m0/s1","3-Trifluoromethyl phenylethanolamine","2009-05-08","2021-03-01","(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol",""],["4HN","2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE","C23 H17 N3 O2","N#Cc1c(O)c4c(nc1c3ccc(c2ccccc2OCC)cc3)ccnc4;CCOc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N;CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N","InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)","","2012-01-11","2014-09-05","2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile",""],["LT6","2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide","C23 H29 F N2 O4","CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)Cc2ccccc2;CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)NC(Cc2ccccc2)CO","InChI=1S/C23H29FN2O4/c1-3-4-13-26(2)23(29)22-19(24)11-8-12-20(22)30-16-21(28)25-18(15-27)14-17-9-6-5-7-10-17/h5-12,18,27H,3-4,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1","","2010-02-03","2011-06-04","N-butyl-2-fluoro-6-[2-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-2-oxo-ethoxy]-N-methyl-benzamide",""],["4HO","1-hydroxy-4-methylpyridin-2(1H)-one","C6 H7 N O2","O=C1C=C(C=CN1O)C;CC1=CC(=O)N(O)C=C1;CC1=CC(=O)N(C=C1)O","InChI=1S/C6H7NO2/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3","","2014-04-29","2015-03-06","1-hydroxy-4-methylpyridin-2(1H)-one","2015-03-11"],["4HP","4-HYDROXYPHENYLACETATE","C8 H8 O3","O=C(O)Cc1ccc(O)cc1;OC(=O)Cc1ccc(O)cc1;c1cc(ccc1CC(=O)O)O","InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)","","1999-07-08","2024-09-27","(4-hydroxyphenyl)acetic acid",""],["LT7","~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine","C13 H17 N3 O","CC(C)NCc1onc(n1)c2ccc(C)cc2;Cc1ccc(cc1)c2nc(on2)CNC(C)C","InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3","","2019-03-13","2020-04-24","~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine","2020-04-29"],["LT8","2-pyrazol-1-ylbenzoic acid","C10 H8 N2 O2","OC(=O)c1ccccc1n2cccn2;c1ccc(c(c1)C(=O)O)n2cccn2","InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)","","2019-09-03","2020-04-17","2-pyrazol-1-ylbenzoic acid","2020-04-22"],["4HQ","(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone","C8 H13 N5 O2","N2(C(c1c(non1)N)=O)CCN(CC2)C;CN1CCN(CC1)C(=O)c2nonc2N;CN1CCN(CC1)C(=O)c2c(non2)N","InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11)","","2015-03-19","2016-03-11","(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone","2016-03-16"],["4HR","(2-bromophenyl)methanol","C7 H7 Br O","c1(CO)ccccc1Br;OCc1ccccc1Br;c1ccc(c(c1)CO)Br","InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2","","2015-03-19","2015-08-07","(2-bromophenyl)methanol","2015-08-12"],["LT9","1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide","C17 H15 Cl N2 O2","O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1;Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(Cl)c3;Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(c3)Cl","InChI=1S/C17H15ClN2O2/c1-11-5-6-19-10-15(11)20-16(22)17(8-14(21)9-17)12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H,20,22)","","2023-08-15","2023-11-03","1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide","2023-11-08"],["4HS","5-bromopyridin-2(1H)-one","C5 H4 Br N O","C=1NC(=O)C=CC=1Br;BrC1=CNC(=O)C=C1;C1=CC(=O)NC=C1Br","InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)","","2015-03-19","2015-08-14","5-bromopyridin-2(1H)-one","2015-08-19"],["LTA","4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER","C10 H22 N2 O3","O=C(OCC)CC(O)C(N)CCCCN;CCOC(=O)C[CH](O)[CH](N)CCCCN;CCOC(=O)CC(C(CCCCN)N)O","InChI=1S/C10H22N2O3/c1-2-15-10(14)7-9(13)8(12)5-3-4-6-11/h8-9,13H,2-7,11-12H2,1H3/t8-,9-/m0/s1","STATINE ANALOGUE","1999-07-08","2024-09-27","ethyl (3S,4S)-4,8-diamino-3-hydroxyoctanoate",""],["4HT","4-HYDROXYTRYPTOPHAN","C11 H12 N2 O3","O=C(O)C(N)Cc2c1c(cccc1O)nc2;N[CH](Cc1c[nH]c2cccc(O)c12)C(O)=O;c1cc2c(c(c1)O)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1","","2004-01-20","2024-09-27","4-hydroxy-L-tryptophan",""],["LTB","LEUKOTRIENE B4","C20 H32 O4","O=C(O)CCCC(O)C=C/C=C/C=C/C(O)CC=C/CCCCC;CCCCCC=CC[CH](O)C=CC=CC=C[CH](O)CCCC(O)=O;CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O","InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1","","2011-07-19","2014-04-28","(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid",""],["LTC","(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate","C39 H70 N2 O13","O=C(NC2C(O)C(N)C(OC2OC1C(O)C(OC(OCC(OC(=O)CCCCCC=C/CCCCCCC)COC(=O)CCCCCC)C1O)CO)C)C;CCCCCCCC=CCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](C)[CH](N)[CH](O)[CH]2NC(C)=O)[CH]1O)COC(=O)CCCCCC;CCCCCCCC=CCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC","InChI=1S/C39H70N2O13/c1-5-7-9-11-12-13-14-15-16-17-18-20-22-31(45)52-28(24-49-30(44)21-19-10-8-6-2)25-50-39-36(48)37(34(46)29(23-42)53-39)54-38-33(41-27(4)43)35(47)32(40)26(3)51-38/h14-15,26,28-29,32-39,42,46-48H,5-13,16-25,40H2,1-4H3,(H,41,43)/b15-14-/t26-,28-,29-,32+,33-,34-,35+,36-,37+,38+,39+/m1/s1","Lipoteichoic acid","2009-09-29","2021-03-01","(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate",""],["4HU","(6-bromopyridin-2-yl)methanol","C6 H6 Br N O","c1(cccc(Br)n1)CO;OCc1cccc(Br)n1;c1cc(nc(c1)Br)CO","InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2","","2015-03-19","2015-08-07","(6-bromopyridin-2-yl)methanol","2015-08-12"],["LTD","(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid","C25 H40 N2 O6 S","CCCCCC=CCC=CC=CC=C[CH](SC[CH](N)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O;CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N","InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1","","2016-01-04","2016-05-06","(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid","2016-05-11"],["4HV","N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide","C23 H22 N2 O5","O=C(c1cc(oc1)c2cc(OC)c(OC)cc2)NC(Cc3cccc(C#N)c3)CO;COc1ccc(cc1OC)c2occ(c2)C(=O)N[CH](CO)Cc3cccc(c3)C#N;COc1ccc(cc1OC)c2cc(co2)C(=O)NC(Cc3cccc(c3)C#N)CO","InChI=1S/C23H22N2O5/c1-28-20-7-6-17(10-22(20)29-2)21-11-18(14-30-21)23(27)25-19(13-26)9-15-4-3-5-16(8-15)12-24/h3-8,10-11,14,19,26H,9,13H2,1-2H3,(H,25,27)/t19-/m1/s1","","2012-11-14","2013-03-15","N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide","2013-03-20"],["LTE","1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine","C18 H29 N9 O5","N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCCNC(=N)NCCCC(C(=O)O)N)O)O)N","InChI=1S/C18H29N9O5/c19-9(17(30)31)3-1-5-22-18(21)23-6-2-4-10-12(28)13(29)16(32-10)27-8-26-11-14(20)24-7-25-15(11)27/h7-10,12-13,16,28-29H,1-6,19H2,(H,30,31)(H2,20,24,25)(H3,21,22,23)/t9-,10+,12+,13+,16+/m0/s1","","2019-09-04","2024-09-27","(2~{S})-5-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-azanyl-pentanoic acid","2020-09-30"],["4HW","N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine","C18 H16 N8","c1cc(ccc1)Nc2cc(ncn2)n3c(N)nc(n3)Nc4ccccc4;Nc1nc(Nc2ccccc2)nn1c3cc(Nc4ccccc4)ncn3;c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N","InChI=1S/C18H16N8/c19-17-24-18(23-14-9-5-2-6-10-14)25-26(17)16-11-15(20-12-21-16)22-13-7-3-1-4-8-13/h1-12H,(H,20,21,22)(H3,19,23,24,25)","","2015-03-20","2015-08-07","N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine","2015-08-12"],["4HX","(4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE","C11 H22 N8 O5","O=C(N)C1NCC(N(O)C(=O)C(N)CCCNC(=[N@H])N[N+]([O-])=O)C1;N[CH](CCCNC(=N)N[N+]([O-])=O)C(=O)N(O)[CH]1CN[CH](C1)C(N)=O;[H]N=C(NCCCC(C(=O)N(C1CC(NC1)C(=O)N)O)N)N[N+](=O)[O-]","InChI=1S/C11H22N8O5/c12-7(2-1-3-15-11(14)17-19(23)24)10(21)18(22)6-4-8(9(13)20)16-5-6/h6-8,16,22H,1-5,12H2,(H2,13,20)(H3,14,15,17)/t6-,7+,8+/m1/s1","4-N-(NW-NITRO-L-ARGININYL)-TRANS-4-HYDROXYAMINO-L-PROLINE AMIDE","2006-08-07","2021-03-01","(4R)-4-{hydroxy[N~5~-(N-nitrocarbamimidoyl)-L-ornithyl]amino}-L-prolinamide",""],["LTF","(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide","C15 H20 N2 O5","O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC;CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO;CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO","InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1","","2013-01-29","2013-10-25","(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide","2013-10-30"],["LTG","L-tagatose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m0/s1","","2014-07-22","2020-06-24","L-tagatose","2014-10-22"],["4HY","[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID","C14 H9 I3 O4","Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)ccc2O;OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1;c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O","InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)","","2003-01-24","2011-06-04","[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid",""],["LTH","(2R,3S)-2,3,4-trihydroxybutanoic acid","C4 H8 O5","O=C(O)C(O)C(O)CO;OC[CH](O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)O","InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1","L-Threonic acid","2014-04-24","2021-03-01","(2R,3S)-2,3,4-trihydroxybutanoic acid","2014-05-07"],["4HZ","N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide","C16 H13 Cl F4 N6 O","C(Nc1c(F)cnc(n1)c2cnc3c2cc(cn3)Cl)(C)C(NCC(F)(F)F)=O;C[CH](Nc1nc(ncc1F)c2c[nH]c3ncc(Cl)cc23)C(=O)NCC(F)(F)F;CC(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F","InChI=1S/C16H13ClF4N6O/c1-7(15(28)25-6-16(19,20)21)26-14-11(18)5-24-13(27-14)10-4-23-12-9(10)2-8(17)3-22-12/h2-5,7H,6H2,1H3,(H,22,23)(H,25,28)(H,24,26,27)/t7-/m0/s1","","2015-03-20","2015-08-07","N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide","2015-08-12"],["4I0","2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile","C30 H34 F2 N8 O S","CCc1nc2ccc(cn2c1N(C)[CH]3NC(=C(S3)C#N)c4ccc(F)cc4)N5CCN(CC5)CC(=O)N6CC[CH](F)C6;CCc1c(n2cc(ccc2n1)N3CCN(CC3)CC(=O)N4CCC(C4)F)N(C)C5NC(=C(S5)C#N)c6ccc(cc6)F","InChI=1S/C30H34F2N8OS/c1-3-24-29(36(2)30-35-28(25(16-33)42-30)20-4-6-21(31)7-5-20)40-18-23(8-9-26(40)34-24)38-14-12-37(13-15-38)19-27(41)39-11-10-22(32)17-39/h4-9,18,22,30,35H,3,10-15,17,19H2,1-2H3/t22-,30+/m1/s1","","2021-06-30","2022-07-08","2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile","2022-07-13"],["LTI","(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide","C16 H18 N4 O2 S2","O=C(/N=C3SNC(SC2c1ccccc1CCCC2)=C3C(=O)N)N;NC(=O)N=C1SNC(=C1C(N)=O)S[CH]2CCCCc3ccccc23;c1ccc2c(c1)CCCCC2SC3=C(C(=NC(=O)N)SN3)C(=O)N","InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11,20H,2,4,6,8H2,(H2,17,21)(H2,18,22)/b19-14-/t11-/m1/s1","","2012-05-03","2014-09-05","(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydro-1,2-thiazole-4-carboxamide",""],["4I1","Petroselinic acid","C18 H34 O2","CCCCCCCCCCCC=CCCCCC(O)=O;CCCCCCCCCCCC=CCCCCC(=O)O","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-","","2021-07-27","2024-09-27","(~{Z})-octadec-6-enoic acid","2022-07-27"],["LTJ","4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide","C20 H25 F N4 O2","C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)NC(C=[C@H]C)=O;CC=CC(=O)N[CH]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23;CC=CC(=O)NC1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F","InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1","","2019-03-13","2024-09-27","4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide","2019-04-03"],["4I2","N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide","C18 H14 F3 N3 O S","CC(=O)Nc1ccc(cc1)c1csc(Nc2cccc(c2)C(F)(F)F)n1;CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(c3)C(F)(F)F)n2;CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)C(F)(F)F","InChI=1S/C18H14F3N3OS/c1-11(25)22-14-7-5-12(6-8-14)16-10-26-17(24-16)23-15-4-2-3-13(9-15)18(19,20)21/h2-10H,1H3,(H,22,25)(H,23,24)","","2021-07-08","2022-04-22","N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide","2022-04-27"],["LTK","~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide","C16 H15 Cl N2 O2 S2","Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(CN)c3;Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl","InChI=1S/C16H15ClN2O2S2/c1-10-14-8-12(17)5-6-15(14)22-16(10)23(20,21)19-13-4-2-3-11(7-13)9-18/h2-8,19H,9,18H2,1H3","","2019-09-04","2020-04-17","~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide","2020-04-22"],["LTL","6-HYDROXY-6-METHYL-HEPTAN-3-ONE","C8 H16 O2","O=C(CC)CCC(O)(C)C;CCC(=O)CCC(C)(C)O;CCC(=O)CCC(C)(C)O","InChI=1S/C8H16O2/c1-4-7(9)5-6-8(2,3)10/h10H,4-6H2,1-3H3","","2001-01-31","2011-06-04","6-hydroxy-6-methylheptan-3-one",""],["4I4","(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE","C20 H27 N6 O3","O=C(N1C(C(O)=[N@H])CCC1)C3N(C(=O)CCCc2ccccc2)CC(/N=[N+]=[N@H])C3;OC(=N)[CH]1CCCN1C(=O)[CH]2C[CH](CN2C(=O)CCCc3ccccc3)N=[N+]=N;c1ccc(cc1)CCCC(=O)N2CC(CC2C(=O)N3CCCC3C(=N)O)N=[N+]=N","InChI=1S/C20H26N6O3/c21-19(28)16-9-5-11-25(16)20(29)17-12-15(23-24-22)13-26(17)18(27)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-17,22H,4-5,8-13H2,(H-,21,28)/p+1/t15-,16-,17-/m0/s1","","2012-10-01","2024-09-27","1-[(3S,5S)-5-({(2S)-2-[(Z)-hydroxy(imino)methyl]pyrrolidin-1-yl}carbonyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]triaza-1,2-dien-2-ium","2013-03-13"],["LTM","N-ACETYL GLUCONOLACTAM","C8 H14 N2 O5","O=C1NC(CO)C(O)C(O)C1NC(=O)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)NC1=O;CC(=O)NC1C(C(C(NC1=O)CO)O)O","InChI=1S/C8H14N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-7,11,13-14H,2H2,1H3,(H,9,12)(H,10,15)/t4-,5-,6-,7-/m1/s1","","2010-07-22","2011-07-29","N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxopiperidin-3-yl]acetamide",""],["4I5","(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide","C14 H15 Cl N2 O","Clc2cc1c3c(nc1cc2)C(C(=O)N)CCCC3;NC(=O)[CH]1CCCCc2c1[nH]c3ccc(Cl)cc23;c1cc2c(cc1Cl)c3c([nH]2)C(CCCC3)C(=O)N","InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1","","2012-12-10","2013-01-18","(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide","2013-01-18"],["LTN","L-TRYPTOPHANAMIDE","C11 H13 N3 O","O=C(N)C(N)Cc2c1ccccc1nc2;N[CH](Cc1c[nH]c2ccccc12)C(N)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N","InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1","","2002-08-08","2024-09-27","L-tryptophanamide",""],["4I6","perfluorononanoic acid","C9 H F17 O2","OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)","","2021-07-27","2022-07-22","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonanoic acid","2022-07-27"],["LTO","(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide","C18 H23 N3 O2","ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23)CC1;ONC(=O)C=CC1CCN(CC1)CCc2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)C=CC(=O)NO","InChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+","","2022-03-04","2022-04-01","(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide","2022-04-06"],["4I7","(4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","C34 H32 F3 N5 O3 S","COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C4CCN(CC4)c5ncnc6ccsc56)C(=O)[CH]7CC=CC[CH]37;COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)C4C3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6","InChI=1S/C34H32F3N5O3S/c1-44-28-11-10-21(18-29(28)45-19-22-6-2-5-9-26(22)34(35,36)37)30-24-7-3-4-8-25(24)33(43)42(40-30)23-12-15-41(16-13-23)32-31-27(14-17-46-31)38-20-39-32/h2-6,9-11,14,17-18,20,23-25H,7-8,12-13,15-16,19H2,1H3/t24-,25+/m0/s1","","2018-11-29","2019-12-13","(4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2019-12-18"],["LTP","4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one","C9 H15 N3 O10 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1","","2012-12-14","2014-08-22","4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one","2014-08-27"],["4I8","methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate","C9 H7 N O4","COC(=O)c1ccc2NC(=O)Oc2c1;COC(=O)c1ccc2c(c1)OC(=O)N2","InChI=1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12)","","2016-12-20","2017-05-05","methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate","2017-05-10"],["LTQ","(4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide","C16 H21 N5 O4 S2","O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c3c(cc(cc3)C#N)C)=O;Cc1cc(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[CH]3C(=O)NO)C#N;Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSCC3C(=O)NO)C#N","InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1","","2015-08-04","2016-02-05","(4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide","2016-02-10"],["4I9","5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate","C15 H11 Cl N2 O2","Cc1c(Cl)cncc1OC(=O)c1cccc2[NH]ccc12;Cc1c(Cl)cncc1OC(=O)c2cccc3[nH]ccc23;Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3","InChI=1S/C15H11ClN2O2/c1-9-12(16)7-17-8-14(9)20-15(19)11-3-2-4-13-10(11)5-6-18-13/h2-8,18H,1H3","","2021-07-08","2024-09-27","5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate","2021-09-29"],["4IA","4-propan-2-ylbenzoic acid","C10 H12 O2","CC(C)c1ccc(cc1)C(O)=O;CC(C)c1ccc(cc1)C(=O)O","InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)","","2016-06-08","2018-02-02","4-propan-2-ylbenzoic acid","2018-02-07"],["LTR","L-TRYPTOPHAN","C11 H12 N2 O2","O=C(O)C(N)Cc2c1ccccc1nc2;N[CH](Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N","InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h14H","","1999-07-08","2009-01-07","L-tryptophan",""],["4IB","TETRAIODOBISPHENOLA","C15 H12 I4 O2","CC(C)(c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2;CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I","InChI=1S/C15H12I4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3","","2016-11-24","2018-08-03","4-[2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(iodanyl)phenol","2018-08-08"],["LTS","2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine","C21 H16 F3 N5 O3 S","FC(F)(F)Oc1cc(ccc1)S(=O)(=O)c2ccc(cc2)CN/C(=NC#N)Nc3ccncc3;FC(F)(F)Oc1cccc(c1)[S](=O)(=O)c2ccc(CNC(Nc3ccncc3)=NC#N)cc2;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=NC#N)Nc3ccncc3)OC(F)(F)F","InChI=1S/C21H16F3N5O3S/c22-21(23,24)32-17-2-1-3-19(12-17)33(30,31)18-6-4-15(5-7-18)13-27-20(28-14-25)29-16-8-10-26-11-9-16/h1-12H,13H2,(H2,26,27,28,29)","","2013-08-15","2013-12-20","2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine","2013-12-25"],["LTT","4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE","C8 H11 N3 O4","O=C1N=C(N)C=CN1C2OC(OC2)CO;NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO)O2;C1C(OC(O1)CO)N2C=CC(=NC2=O)N","InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1","(-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE; TROXACITABINE; TROXATYL","2006-10-26","2020-06-17","4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one",""],["4IC","(3E)-4-(1H-imidazol-4-yl)but-3-enoic acid","C7 H8 N2 O2","O=C(O)C/C=C/c1ncnc1;OC(=O)CC=Cc1c[nH]cn1;c1c(nc[nH]1)C=CCC(=O)O","InChI=1S/C7H8N2O2/c10-7(11)3-1-2-6-4-8-5-9-6/h1-2,4-5H,3H2,(H,8,9)(H,10,11)/b2-1+","","2013-03-19","2024-09-27","(3E)-4-(1H-imidazol-4-yl)but-3-enoic acid","2013-07-03"],["4ID","2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide","C21 H18 F3 N3 O4 S2","O=S(=O)(C2=CN=C(SCC(=O)Nc1ccccc1C(F)(F)F)NC2=O)c3ccc(cc3C)C;Cc1ccc(c(C)c1)[S](=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F;Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F","InChI=1S/C21H18F3N3O4S2/c1-12-7-8-16(13(2)9-12)33(30,31)17-10-25-20(27-19(17)29)32-11-18(28)26-15-6-4-3-5-14(15)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,25,27,29)","","2013-01-09","2013-05-10","2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide","2013-05-15"],["LTU","2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid","C16 H20 N2 O4","CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23;CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O)O)N)O","InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13+,14-/m1/s1","(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid","2022-07-12","2024-09-27","(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid","2023-03-29"],["4IE","[4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium","C25 H31 Br N","CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)[CH]1C2;CC1(C2CC=C(C1C2)C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)C","InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1","VUF11222","2023-01-05","2023-11-24","[4-(2-bromophenyl)phenyl]methyl-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium","2023-11-29"],["LTV","2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate","C46 H90 O5","O=C(OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O","InChI=1S/C46H90O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h44,47H,3-43H2,1-2H3/t44-/m0/s1","","2019-03-13","2020-10-09","2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate","2020-10-14"],["LTW","~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide","C31 H31 N5 O6","Cn1ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4cc(ccc4OCCN5CC6(COC6)C5)C(C)=O;CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6","InChI=1S/C31H31N5O6/c1-20(37)21-5-6-27(42-11-9-36-16-31(17-36)18-40-19-31)26(15-21)33-29(38)23-12-22(25-7-8-35(2)34-25)13-24(14-23)32-30(39)28-4-3-10-41-28/h3-8,10,12-15H,9,11,16-19H2,1-2H3,(H,32,39)(H,33,38)","","2019-09-04","2020-09-25","~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide","2020-09-30"],["4IF","cis-vaccenic acid","C18 H34 O2","CCCCCCC=CCCCCCCCCCC(O)=O;CCCCCCC=CCCCCCCCCCC(=O)O","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-","","2021-07-27","2022-07-22","(~{Z})-octadec-11-enoic acid","2022-07-27"],["LTX","(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(\n2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid","C30 H47 N3 O9 S","CCCCCC=CCC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O;CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1","Leukotriene C4","2016-01-04","2020-06-17","(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid","2016-05-11"],["4IG","(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE","C24 H25 F2 N5 O3","Fc1cc(cc(F)c1)C4Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC;CCc1nc(N)nc(N)c1c2ccc3O[CH](C(=O)N(CCCOC)c3c2)c4cc(F)cc(F)c4;CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC","InChI=1S/C24H25F2N5O3/c1-3-17-20(22(27)30-24(28)29-17)13-5-6-19-18(11-13)31(7-4-8-33-2)23(32)21(34-19)14-9-15(25)12-16(26)10-14/h5-6,9-12,21H,3-4,7-8H2,1-2H3,(H4,27,28,29,30)/t21-/m0/s1","","2006-02-21","2011-06-04","(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one",""],["LTY","N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C22 H23 N7 O","c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC(CC3)CN)cc5c4cccn5;NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cccnc45;c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5","InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)","","2019-03-14","2019-05-17","N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-05-22"],["4IH","~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide","C17 H21 Cl N2 O2 S","C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2;CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2","InChI=1S/C17H21ClN2O2S/c1-23(21,22)20-11-5-10-19-13-14-8-9-16(17(18)12-14)15-6-3-2-4-7-15/h2-4,6-9,12,19-20H,5,10-11,13H2,1H3","","2016-12-14","2017-05-19","~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide","2017-05-24"],["LTZ","(5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole","C36 H43 Cl2 N5 O3 S","O=C(N6C(C)CN(C(=O)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)cc1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)C(CC)CC5)CC6)C;CC[CH]1CC[CH](N1C(=O)C2=C(C(C)C)N3[CH](c4ccc(Cl)cc4)[C](C)(N=C3S2)c5ccc(Cl)cc5)C(=O)N6CCN([CH](C)C6)C(C)=O;CCC1CCC(N1C(=O)C2=C(N3C(C(N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN(C(C6)C)C(=O)C","InChI=1S/C36H43Cl2N5O3S/c1-7-28-16-17-29(33(45)40-18-19-41(23(5)44)22(4)20-40)42(28)34(46)31-30(21(2)3)43-32(24-8-12-26(37)13-9-24)36(6,39-35(43)47-31)25-10-14-27(38)15-11-25/h8-15,21-22,28-29,32H,7,16-20H2,1-6H3/t22-,28-,29+,32-,36+/m1/s1","","2013-02-19","2013-05-31","1-[(2R)-4-{[(2S,5R)-1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-5-ethylpyrrolidin-2-yl]carbonyl}-2-methylpiperazin-1-yl]ethanone","2013-06-05"],["4II","(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid","C9 H10 N4 O2","N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O;c1cc(ccc1CC(C(=O)O)N)N=[N+]=[N-]","InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1","","2018-08-19","2024-09-27","(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid","2018-12-05"],["LU","LUTETIUM (III) ION","Lu","[Lu+3];[Lu+3];[Lu+3]","InChI=1S/Lu/q+3","LU","1999-07-08","2021-03-01","lutetium",""],["4IJ","5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate","C14 H11 Cl N2 O2","Clc1cc(cnc1)OC(=O)c1cccc2NCCc12;Clc1cncc(OC(=O)c2cccc3NCCc23)c1;c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl","InChI=1S/C14H11ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-3,6-8,17H,4-5H2","","2021-07-08","2024-09-27","5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate","2021-09-29"],["LU0","Sulphamoil Leucine","C6 H14 N2 O4 S","CC(C)C[CH](N[S](N)(=O)=O)C(O)=O;CC(C)CC(C(=O)O)NS(=O)(=O)N","InChI=1S/C6H14N2O4S/c1-4(2)3-5(6(9)10)8-13(7,11)12/h4-5,8H,3H2,1-2H3,(H,9,10)(H2,7,11,12)/t5-/m0/s1","","2017-12-07","2018-06-08","(2~{S})-4-methyl-2-(sulfamoylamino)pentanoic acid","2018-06-13"],["4IK","(2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid","C16 H25 N7 O5","O=C(O)C(N)CCC(CN)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;NC[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)CN)O)O)N","InChI=1S/C16H25N7O5/c17-4-7(1-2-8(18)16(26)27)3-9-11(24)12(25)15(28-9)23-6-22-10-13(19)20-5-21-14(10)23/h5-9,11-12,15,24-25H,1-4,17-18H2,(H,26,27)(H2,19,20,21)/t7-,8-,9+,11+,12+,15+/m0/s1","","2013-01-07","2013-02-08","(2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid (non-preferred name)","2013-02-08"],["LU1","4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide","C26 H24 F N5 O5","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)C)C(O)C5;Cc1ncnc2n(cnc12)[CH]3O[CH](C[CH]3O)C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5;Cc1c2c(ncn1)n(cn2)C3C(CC(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O","InChI=1S/C26H24FN5O5/c1-14-22-24(30-12-29-14)32(13-31-22)26-21(34)11-18(37-26)3-2-8-28-25(36)19-9-16(10-20(33)23(19)35)15-4-6-17(27)7-5-15/h2-7,9-10,12-13,18,21,26,33-35H,8,11H2,1H3,(H,28,36)/b3-2+/t18-,21-,26-/m1/s1","","2011-04-21","2012-01-27","4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide",""],["4IL","13-Oxofumitremorgin B","C27 H31 N3 O5","COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)C(=O)c23;CC(=CCn1c2cc(ccc2c3c1C(N4C(=O)C5CCCN5C(=O)C4(C3=O)O)C=C(C)C)OC)C","InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1","(1R,12S,15S)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione","2022-02-02","2022-07-01","","2022-07-06"],["LU2","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one","C15 H10 O6","O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O;Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O","InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H","Luteolin","2011-07-20","2020-06-17","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one",""],["4IM","scyllo-inositol 1,2,3,5-tetrakisphosphate","C6 H16 O18 P4","O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O","InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6-","[(1R,2S,4R,5S)-2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate","2023-05-23","2024-02-23","[(1~{R},2~{S},4~{R},5~{S})-2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate","2024-02-28"],["4IN","4-AMINO-L-TRYPTOPHAN","C11 H13 N3 O2","O=C(O)C(N)Cc2c1c(cccc1nc2)N;N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O;c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N","InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1","2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID","2003-04-15","2024-09-27","4-amino-L-tryptophan",""],["LU3","1,3-thiazol-2-ylmethanamine","C4 H6 N2 S","NCc1sccn1;c1csc(n1)CN","InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2","","2022-12-08","2023-03-24","1,3-thiazol-2-ylmethanamine","2023-03-29"],["4IO","5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate","C20 H12 Cl N3 O6 S","[O-][N+](=O)c1cc(ccc1)S(=O)(=O)n1ccc2cc(ccc21)C(=O)Oc1cc(Cl)cnc1;[O-][N+](=O)c1cccc(c1)[S](=O)(=O)n2ccc3cc(ccc23)C(=O)Oc4cncc(Cl)c4;c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-]","InChI=1S/C20H12ClN3O6S/c21-15-9-17(12-22-11-15)30-20(25)14-4-5-19-13(8-14)6-7-23(19)31(28,29)18-3-1-2-16(10-18)24(26)27/h1-12H","","2021-07-08","2024-09-27","5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate","2021-09-29"],["LU5","~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide","C23 H19 N5 O4","CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34;Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1","InChI=1S/C23H19N5O4/c1-13-9-18-19(5-3-6-20(18)28-27-13)26-22(30)15-10-16(24-14(2)29)12-17(11-15)25-23(31)21-7-4-8-32-21/h3-12H,1-2H3,(H,24,29)(H,25,31)(H,26,30)","","2019-09-04","2020-09-25","~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide","2020-09-30"],["LU7","N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide","C29 H52 N10 O6","Oc1cc(O)ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCCNC(=O)C(N)CCCNC(=N)N;N[CH](CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[CH](CC(N)=O)NC(=O)Cc1ccc(O)cc1O;c1cc(c(cc1O)O)CC(=O)NC(CC(=O)N)C(=O)NCCCCCNCCCNCCCNC(=O)C(CCCNC(=N)N)N","InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1","Argiotoxin 636","2019-03-14","2020-06-17","N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide","2019-03-20"],["4IP","INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE","C6 H16 O18 P4","O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O","InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1","","1999-07-08","2014-10-08","(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]",""],["4IQ","4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide","C19 H25 N3 O4 S2","Cc1ccc(CN2CC[S](=O)(=O)N(CCc3ccc(cc3)[S](N)(=O)=O)C2)cc1;Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C19H25N3O4S2/c1-16-2-4-18(5-3-16)14-21-12-13-27(23,24)22(15-21)11-10-17-6-8-19(9-7-17)28(20,25)26/h2-9H,10-15H2,1H3,(H2,20,25,26)","","2021-07-02","2021-11-12","4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide","2021-11-17"],["LU8","4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine","C27 H32 N2 O3","COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCN(C)CC4;Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C","InChI=1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3","","2019-09-05","2019-09-13","4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine","2019-09-18"],["LU9","[(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate","C93 H164 N2 O39 P2","CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O)CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-])([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC;CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)([O-])[O-])OC(=O)CCOC(=O)CCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OP(=O)([O-])[O-])NC(=O)CC(CCCCCCCCCC)O)O","InChI=1S/C93H168N2O39P2/c1-6-11-16-21-26-30-34-38-43-48-64(99)55-77(108)129-86-78(94-72(103)54-63(98)47-42-37-33-29-24-19-14-9-4)89(134-136(119,120)121)126-70(82(86)111)61-123-88-79(95-73(104)56-65(49-44-39-35-31-27-22-17-12-7-2)125-75(106)51-46-41-36-32-28-23-18-13-8-3)87(128-76(107)52-53-122-74(105)50-45-40-25-20-15-10-5)85(133-135(116,117)118)71(127-88)62-124-92(90(112)113)58-69(81(110)84(131-92)68(102)60-97)130-93(91(114)115)57-66(100)80(109)83(132-93)67(101)59-96/h63-71,78-89,96-102,109-111H,6-62H2,1-5H3,(H,94,103)(H,95,104)(H,112,113)(H,114,115)(H2,116,117,118)(H2,119,120,121)/p-4/t63-,64+,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,92-,93-/m1/s1","LIPOPOLYSACCHARIDE","2022-07-12","2022-09-30","[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4-[(3~{S})-3-oxidanyltetradecanoyl]oxy-5-[[(3~{R})-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate","2022-10-05"],["4IR","{N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)","C28 H45 Cl Ir N5 O4 S2","Cl[Ir+2]45678(N(S(=O)(=O)c3ccc(NC(=O)CCCCC2SCC1NC(=O)NC12)cc3)CCN4)c9(c5(C6(C7(C89C)C)C)C)C;CC12|[Ir++]|3|4|5|6(|NCCN|3[S](=O)(=O)c7ccc(NC(=O)CCCC[CH]8SC[CH]9NC(=O)N[CH]89)cc7)(Cl)|[CH]1(C)C|4(=C|5(C)[CH]2|6C)C;C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCCC8C9C(CS8)NC(=O)N9)Cl)C","InChI=1S/C18H27N5O4S2.C10H18.ClH.Ir/c19-9-10-20-29(26,27)13-7-5-12(6-8-13)21-16(24)4-2-1-3-15-17-14(11-28-15)22-18(25)23-17;1-6-7(2)9(4)10(5)8(6)3;;/h5-8,14-15,17,20H,1-4,9-11,19H2,(H,21,24)(H2,22,23,25);6-8H,1-5H3;1H;/q;;;+3/p-1/t14-,15-,17-;6-,7+,8-;;/m0.../s1","N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-PENTAMETHYLCYCLOHEXYL-CHLORO-IRIDIUM(III)","2011-02-04","2021-03-13","[N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(2+)",""],["LUB","4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid","C9 H14 O4","CCC[CH]1OCC(=C1C(O)=O)CO;CCCC1C(=C(CO1)CO)C(=O)O","InChI=1S/C9H14O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1","","2019-09-06","2022-03-16","(2~{S})-4-(hydroxymethyl)-2-propyl-2,5-dihydrofuran-3-carboxylic acid","2020-09-30"],["4IS","5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole","C10 H9 F2 N","Fc1ccc(F)c(c1)C2=NCCC2;c1cc(c(cc1F)C2=NCCC2)F","InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2","","2021-07-29","2023-04-28","5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole","2023-05-03"],["LUC","2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide","C17 H16 Cl N3 O3","Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1;Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N3)c2;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC3CC(=O)N3","InChI=1S/C17H16ClN3O3/c1-10-2-3-19-9-14(10)20-15(22)6-11-4-12(18)7-13(5-11)24-17-8-16(23)21-17/h2-5,7,9,17H,6,8H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1","","2023-08-15","2023-11-03","2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["4IT","N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C23 H31 N5 O4","COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=N)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C23H31N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11-15,18,24,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15-,18-/m0/s1","","2021-07-09","2024-09-27","N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2021-09-01"],["4IU","2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid","C16 H18 N2 O6","Cn1c(CO[CH]2C=CO[CH](CO)[CH]2O)nc3ccc(cc13)C(O)=O;Cn1c2cc(ccc2nc1COC3C=COC(C3O)CO)C(=O)O","InChI=1S/C16H18N2O6/c1-18-11-6-9(16(21)22)2-3-10(11)17-14(18)8-24-12-4-5-23-13(7-19)15(12)20/h2-6,12-13,15,19-20H,7-8H2,1H3,(H,21,22)/t12-,13-,15-/m1/s1","","2021-07-02","2021-12-10","2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid","2021-12-15"],["LUD","N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid","C20 H21 N7 O7","N=4C2=C(N3C(N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3CN2)=O)C(=O)NC=4N;NC1=NC2=C(N3[CH](CN2)CN(C3=O)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C(N3C2=O)C(=O)NC(=N4)N","InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1","","2019-03-14","2019-03-22","N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid","2019-03-27"],["LUE","~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine","C22 H24 N10 O","CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5oc(C)nn5)c4c3)n2;Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C","InChI=1S/C22H24N10O/c1-13-24-20(21-28-27-14(2)33-21)19-10-15(7-9-32(13)19)25-22-23-8-6-17(26-22)18-11-16(12-30(3)4)31(5)29-18/h6-11H,12H2,1-5H3,(H,23,25,26)","","2019-09-06","2020-09-25","~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine","2020-09-30"],["4IV","2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide","C20 H20 N2 O4","COc1ccccc1NC(=O)c2ccccc2OCc3c(C)onc3C;Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3ccccc3OC","InChI=1S/C20H20N2O4/c1-13-16(14(2)26-22-13)12-25-18-10-6-4-8-15(18)20(23)21-17-9-5-7-11-19(17)24-3/h4-11H,12H2,1-3H3,(H,21,23)","","2022-02-02","2022-12-30","2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide","2023-01-04"],["LUF","(5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one","C25 H38 O3","O=C1OC(O)C(=C1)CC/C=C(C)CCC=C(/C)CCC2=C(C)CCCC2(C)C;CC(CCC=C(C)CCC1=C(C)CCCC1(C)C)=CCCC2=CC(=O)O[CH]2O;CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCCC2=CC(=O)OC2O)C)C","InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+/t24-/m0/s1","Luffariellolide","2012-02-21","2021-03-01","(5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one","2012-09-28"],["4IW","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name)","C12 H22 O10 Se2","OC1C([Se][Se]C2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O;OC[CH]1O[CH]([Se][Se][CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)[Se][Se]C2C(C(C(C(O2)CO)O)O)O)O)O)O)O","InChI=1S/C12H22O10Se2/c13-1-3-5(15)7(17)9(19)11(21-3)23-24-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1","","2021-07-12","2022-07-08","(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name)","2022-07-13"],["LUG","N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine","C16 H13 F3 I N5 O","Ic1ccc(c(F)c1)Nc3c(F)c(F)ccc3c2nnc(o2)NCCN;NCCNc1oc(nn1)c2ccc(F)c(F)c2Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN","InChI=1S/C16H13F3IN5O/c17-10-3-2-9(15-24-25-16(26-15)22-6-5-21)14(13(10)19)23-12-4-1-8(20)7-11(12)18/h1-4,7,23H,5-6,21H2,(H,22,25)","","2008-10-01","2011-06-04","N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine",""],["4IX","(2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","C21 H31 N5 O8","OC[CH]1O[CH](OCCCCc2cn(CCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O;c1cc(c(nc1CCCn2cc(nn2)CCCCOC3C(C(C(C(O3)CO)O)O)O)C=NO)O","InChI=1S/C21H31N5O8/c27-12-17-18(29)19(30)20(31)21(34-17)33-9-2-1-4-14-11-26(25-24-14)8-3-5-13-6-7-16(28)15(23-13)10-22-32/h6-7,10-11,17-21,27-32H,1-5,8-9,12H2/b22-10-/t17-,18-,19+,20-,21-/m1/s1","","2021-07-02","2021-12-24","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[3-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","2021-12-29"],["LUH","[4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C14 H20 N5 O9 P","Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[CH](CON)NC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCC2C(=O)NC(C(=O)N2)CON)O","InChI=1S/C14H20N5O9P/c1-7-12(20)9(8(2-16-7)4-28-29(23,24)25)3-17-27-6-11-14(22)18-10(5-26-15)13(21)19-11/h2-3,10-11,20H,4-6,15H2,1H3,(H,18,22)(H,19,21)(H2,23,24,25)/b17-3-/t10-,11-/m0/s1","","2019-09-06","2020-01-10","[4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2020-01-15"],["4IZ","beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside","C12 H22 O10 Se","OC1C(OC(CO)C(O)C1O)[Se]C1OC(CO)C(O)C(O)C1O;OC[CH]1O[CH]([Se][CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)[Se]C2C(C(C(C(O2)CO)O)O)O)O)O)O)O","InChI=1S/C12H22O10Se/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1","","2021-07-12","2022-07-08","beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside","2022-07-13"],["4J0","(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol]","C44 H68 N12 O24","OC1C(O)C(O)C(CO)OC1OCCCc2cn(nn2)C3C(C(O)C(OC3CO)c4cn(nn4)C5C(C(O)C(OC5CO)n6cc(nn6)C7C(C(O)C(C(O7)CO)n8nnc(c8)CCCOC9OC(CO)C(O)C(O)C9O)O)O)O;OC[CH]1O[CH](OCCCc2cn(nn2)[CH]3[CH](CO)O[CH]([CH](O)[CH]3O)c4cn(nn4)[CH]5O[CH](CO)[CH]([CH](O)[CH]5O)n6cc(nn6)[CH]7O[CH](CO)[CH]([CH](O)[CH]7O)n8cc(CCCO[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)nn8)[CH](O)[CH](O)[CH]1O;c1c(nnn1C2C(OC(C(C2O)O)c3cn(nn3)C4C(OC(C(C4O)O)n5cc(nn5)C6C(C(C(C(O6)CO)n7cc(nn7)CCCOC8C(C(C(C(O8)CO)O)O)O)O)O)CO)CO)CCCOC9C(C(C(C(O9)CO)O)O)O","InChI=1S/C44H68N12O24/c57-11-20-25(53-7-16(45-49-53)3-1-5-74-43-38(72)33(67)28(62)23(14-60)79-43)30(64)35(69)40(76-20)18-9-55(51-47-18)27-22(13-59)78-42(37(71)32(27)66)56-10-19(48-52-56)41-36(70)31(65)26(21(12-58)77-41)54-8-17(46-50-54)4-2-6-75-44-39(73)34(68)29(63)24(15-61)80-44/h7-10,20-44,57-73H,1-6,11-15H2/t20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-/m1/s1","","2015-03-20","2015-09-04","(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name)","2015-09-09"],["LUI","2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide","C22 H25 N3 O3","O=C(N)COc3ccc1c(C(=C(N(C1=O)CC(C)C)CN)c2ccccc2)c3;CC(C)CN1C(=O)c2ccc(OCC(N)=O)cc2C(=C1CN)c3ccccc3;CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN","InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)","TAK-285","2010-09-02","2020-06-17","2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide",""],["LUJ","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc\nyclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside","C26 H51 N5 O13","CCCC1C(CO)OC(C(C1O)N)OC2C(N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O)C4N)O)N;CCC[CH]1[CH](O)[CH](N)[CH](O[CH]1CO)O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N)[CH]3O;CCCC1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N)N)CO","InChI=1S/C26H51N5O13/c1-2-3-8-12(6-32)40-24(14(30)16(8)34)42-21-10(29)4-9(28)17(35)23(21)44-26-20(38)22(13(7-33)41-26)43-25-15(31)19(37)18(36)11(5-27)39-25/h8-26,32-38H,2-7,27-31H2,1H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1","propylamycin","2019-03-14","2020-06-17","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside","2019-04-17"],["4J1","(2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","C22 H33 N5 O8","OC[CH]1O[CH](OCCCCc2cn(CCCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O;c1cc(c(nc1CCCCn2cc(nn2)CCCCOC3C(C(C(C(O3)CO)O)O)O)C=NO)O","InChI=1S/C22H33N5O8/c28-13-18-19(30)20(31)21(32)22(35-18)34-10-4-2-6-15-12-27(26-25-15)9-3-1-5-14-7-8-17(29)16(24-14)11-23-33/h7-8,11-12,18-22,28-33H,1-6,9-10,13H2/b23-11-/t18-,19-,20+,21-,22-/m1/s1","","2021-07-02","2022-06-03","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[4-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","2022-06-08"],["LUK","[4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C14 H20 N5 O9 P","Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[CH](CON)NC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCC2C(=O)NC(C(=O)N2)CON)O","InChI=1S/C14H20N5O9P/c1-7-12(20)9(8(2-16-7)4-28-29(23,24)25)3-17-27-6-11-14(22)18-10(5-26-15)13(21)19-11/h2-3,10-11,20H,4-6,15H2,1H3,(H,18,22)(H,19,21)(H2,23,24,25)/b17-3-/t10-,11-/m1/s1","","2019-09-07","2020-01-10","[4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2020-01-15"],["4J2","(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid","C13 H13 N O2","NC(Cc1ccc2ccccc2c1)C(=O)O;N[CH](Cc1ccc2ccccc2c1)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)O)N","InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1","","2015-09-17","2024-09-27","(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)","2015-12-16"],["LUM","LUMICHROME","C12 H10 N4 O2","O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C;Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C;Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3","InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)","7,8-DIMETHYLALLOXAZINE; 6,7-DIMETHYLALLOXAZINE","2000-11-20","2025-10-10","7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione",""],["4J3","amino(aminooxy)sulfane dioxide","H4 N2 O3 S","NS(=O)(ON)=O;NO[S](N)(=O)=O;NOS(=O)(=O)N","InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4)","Hydroxylamine-O-sulfonamide","2015-03-20","2020-06-17","amino(aminooxy)sulfane dioxide","2016-03-30"],["LUN","(5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone","C25 H27 F N4 O","Fc1cc2cc(nc2cc1)C(=O)N4c3c(cccc3)C6(C4)CN(C5CCCNC5)CC6;Fc1ccc2[nH]c(cc2c1)C(=O)N3C[C]4(CCN(C4)[CH]5CCCNC5)c6ccccc36;c1ccc2c(c1)C3(CCN(C3)C4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F","InChI=1S/C25H27FN4O/c26-18-7-8-21-17(12-18)13-22(28-21)24(31)30-16-25(20-5-1-2-6-23(20)30)9-11-29(15-25)19-4-3-10-27-14-19/h1-2,5-8,12-13,19,27-28H,3-4,9-11,14-16H2/t19-,25-/m1/s1","","2011-02-25","2011-12-16","(5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone",""],["4J4","S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine","C18 H18 F2 N2 O3 S","NC(C(=O)O)CSCC(=O)NCc1ccc(cc1)c2c(F)cc(cc2)F;N[CH](CSCC(=O)NCc1ccc(cc1)c2ccc(F)cc2F)C(O)=O;c1cc(ccc1CNC(=O)CSCC(C(=O)O)N)c2ccc(cc2F)F","InChI=1S/C18H18F2N2O3S/c19-13-5-6-14(15(20)7-13)12-3-1-11(2-4-12)8-22-17(23)10-26-9-16(21)18(24)25/h1-7,16H,8-10,21H2,(H,22,23)(H,24,25)/t16-/m0/s1","","2015-09-17","2024-09-27","S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine","2016-07-27"],["4J5","amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium","C5 H13 N4 O2","OC(=O)C(N)CCNC(=[N@H2+])N;N[CH](CCNC(N)=[NH2+])C(O)=O;C(CNC(=[NH2+])N)C(C(=O)O)N","InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1","","2015-10-08","2024-09-27","amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium","2018-12-12"],["LUO","N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide","C22 H22 N6 O3","O=C(Nc1ccc(OC)cc1)C(NC2=Nc3c(C(=O)N2)cnn3c4ccccc4C)C;COc1ccc(NC(=O)[CH](C)NC2=Nc3n(ncc3C(=O)N2)c4ccccc4C)cc1;Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)NC(C)C(=O)Nc4ccc(cc4)OC","InChI=1S/C22H22N6O3/c1-13-6-4-5-7-18(13)28-19-17(12-23-28)21(30)27-22(26-19)24-14(2)20(29)25-15-8-10-16(31-3)11-9-15/h4-12,14H,1-3H3,(H,25,29)(H2,24,26,27,30)/t14-/m0/s1","","2012-09-12","2012-09-28","N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide","2012-09-28"],["LUP","5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide","C23 H35 F3 N4 O4 S","C4C(NCCCC(F)(F)F)CCC(CS(N1CCC(CC1)NC(=O)c3cc(C2CC2)on3)(=O)=O)C4;FC(F)(F)CCCN[CH]1CC[CH](CC1)C[S](=O)(=O)N2CC[CH](CC2)NC(=O)c3cc(on3)C4CC4;c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4","InChI=1S/C23H35F3N4O4S/c24-23(25,26)10-1-11-27-18-6-2-16(3-7-18)15-35(32,33)30-12-8-19(9-13-30)28-22(31)20-14-21(34-29-20)17-4-5-17/h14,16-19,27H,1-13,15H2,(H,28,31)/t16-,18-","","2019-03-15","2020-01-10","5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide","2020-01-15"],["4J6","(4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid","C15 H26 N4 O6 S2","CC(O)C(C=O)C2NC(C(O)=O)=C(SC1CNC(CNS(N)(=O)=O)C1)C2C;C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O;CC1C(NC(=C1SC2CC(NC2)CNS(=O)(=O)N)C(=O)O)C(C=O)C(C)O","InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,17-19,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1","Doripenem(open form, pyrroline tautomer form 1, SP2 connection to Thio)","2015-11-18","2024-09-27","(4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid","2015-11-25"],["4J7","2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine","C26 H25 F2 N7 O6 S2","c2c(S(=O)(=O)Cc1cccc([N+]([O-])=O)c1F)cc(c(c2)Sc3nc(c(OC)c(n3)N4CCOCC4)Nc5cc(nn5)C)F;COc1c(Nc2[nH]nc(C)c2)nc(Sc3ccc(cc3F)[S](=O)(=O)Cc4cccc(c4F)[N+]([O-])=O)nc1N5CCOCC5;Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC","InChI=1S/C26H25F2N7O6S2/c1-15-12-21(33-32-15)29-24-23(40-2)25(34-8-10-41-11-9-34)31-26(30-24)42-20-7-6-17(13-18(20)27)43(38,39)14-16-4-3-5-19(22(16)28)35(36)37/h3-7,12-13H,8-11,14H2,1-2H3,(H2,29,30,31,32,33)","","2015-03-20","2015-06-12","2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine","2015-06-17"],["LUQ","N-(2-acetamido)-2-aminoethanesulfonic acid","C4 H10 N2 O4 S","NC(=O)CNCC[S](O)(=O)=O;C(CS(=O)(=O)O)NCC(=O)N","InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)","N-(Carbamoylmethyl)taurine","2019-09-09","2020-06-17","2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethanesulfonic acid","2019-12-18"],["4J8","4-methylbenzenesulfonamide","C7 H9 N O2 S","c1(ccc(S(=O)(=O)N)cc1)C;Cc1ccc(cc1)[S](N)(=O)=O;Cc1ccc(cc1)S(=O)(=O)N","InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)","","2015-03-23","2016-01-29","4-methylbenzenesulfonamide","2016-02-03"],["LUR","{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid","C15 H13 Cl F N O2","Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C;Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1;Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F","InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)","Lumiracoxib","2012-12-26","2021-03-01","{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid","2013-01-25"],["LUS","4-(4-ethylcyclohexyl)morpholine","C12 H23 N O","CC[CH]1CC[CH](CC1)N2CCOCC2;CCC1CCC(CC1)N2CCOCC2","InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-","","2019-03-15","2020-04-24","4-(4-ethylcyclohexyl)morpholine","2020-04-29"],["4J9","(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol]","C40 H60 N12 O24","C9(n2cc(COC1OC(C(O)C(O)C1O)CO)nn2)C(O)C(C(c3cn(nn3)C8C(C(O)C(n7cc(C6OC(C(n4cc(nn4)COC5OC(C(O)C(O)C5O)CO)C(O)C6O)CO)nn7)OC8CO)O)OC9CO)O;OC[CH]1O[CH](OCc2cn(nn2)[CH]3[CH](CO)O[CH]([CH](O)[CH]3O)c4cn(nn4)[CH]5O[CH](CO)[CH]([CH](O)[CH]5O)n6cc(nn6)[CH]7O[CH](CO)[CH]([CH](O)[CH]7O)n8cc(CO[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)nn8)[CH](O)[CH](O)[CH]1O;c1c(nnn1C2C(OC(C(C2O)O)c3cn(nn3)C4C(OC(C(C4O)O)n5cc(nn5)C6C(C(C(C(O6)CO)n7cc(nn7)COC8C(C(C(C(O8)CO)O)O)O)O)O)CO)CO)COC9C(C(C(C(O9)CO)O)O)O","InChI=1S/C40H60N12O24/c53-5-16-21(49-1-12(41-45-49)10-70-39-34(68)29(63)24(58)19(8-56)75-39)26(60)31(65)36(72-16)14-3-51(47-43-14)23-18(7-55)74-38(33(67)28(23)62)52-4-15(44-48-52)37-32(66)27(61)22(17(6-54)73-37)50-2-13(42-46-50)11-71-40-35(69)30(64)25(59)20(9-57)76-40/h1-4,16-40,53-69H,5-11H2/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-/m1/s1","","2015-03-20","2015-09-04","(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name)","2015-09-09"],["LUT","(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL","C40 H56 O2","OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1C(=CC(O)CC1(C)C)C)C)C)C)C)C(C)(C)C2)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C","InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1","(3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL; LUTEIN","2003-12-22","2020-05-27","(3R,3'S,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol",""],["4JA","(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate","C9 H19 O10 P","P(OCC(COC1OC(C(O)C(O)C1O)C)O)(=O)(O)O;C[CH]1O[CH](OC[CH](O)CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCC(COP(=O)(O)O)O)O)O)O","InChI=1S/C9H19O10P/c1-4-6(11)7(12)8(13)9(19-4)17-2-5(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5+,6-,7+,8-,9-/m1/s1","(2S)-3-[(6-deoxy-beta-D-glucosyl)oxy]-2-hydroxypropyl dihydrogen phosphate;\n(2S)-3-[(6-deoxy-D-glucosyl)oxy]-2-hydroxypropyl dihydrogen phosphate; (2S)-3-[(6-deoxy-glucosyl)oxy]-2-hydroxypropyl\ndihydrogen phosphate","2015-11-23","2020-07-17","(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate","2016-08-31"],["4JC","4-ethylbenzenesulfonamide","C8 H11 N O2 S","O=S(N)(=O)c1ccc(cc1)CC;CCc1ccc(cc1)[S](N)(=O)=O;CCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)","","2015-03-23","2016-01-29","4-ethylbenzenesulfonamide","2016-02-03"],["LUU","1~{H}-indol-5-ylmethanamine","C9 H10 N2","NCc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1CN","InChI=1S/C9H10N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6,10H2","","2022-07-13","2023-08-11","1~{H}-indol-5-ylmethanamine","2023-08-16"],["4JE","4-propylbenzenesulfonamide","C9 H13 N O2 S","C(Cc1ccc(cc1)S(=O)(=O)N)C;CCCc1ccc(cc1)[S](N)(=O)=O;CCCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)","","2015-03-23","2016-01-29","4-propylbenzenesulfonamide","2016-02-03"],["LUV","(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide","C31 H34 N4 O3 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCNC(=O)c5c(c3ccccc3)cccc5c4ccccc4;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCNC(=O)c3c(cccc3c4ccccc4)c5ccccc5;c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)c5ccccc5","InChI=1S/C31H34N4O3S/c36-27(17-8-7-16-26-29-25(20-39-26)34-31(38)35-29)32-18-19-33-30(37)28-23(21-10-3-1-4-11-21)14-9-15-24(28)22-12-5-2-6-13-22/h1-6,9-15,25-26,29H,7-8,16-20H2,(H,32,36)(H,33,37)(H2,34,35,38)/t25-,26-,29-/m0/s1","","2014-02-06","2014-08-01","N-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-1,1':3',1''-terphenyl-2'-carboxamide","2014-08-06"],["LUW","4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide","C21 H17 N5 O3","Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4cccn4;c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4","InChI=1S/C21H17N5O3/c27-19(18-14-23-21(25-20(18)28)26-12-4-11-24-26)22-13-15-7-9-17(10-8-15)29-16-5-2-1-3-6-16/h1-12,14H,13H2,(H,22,27)(H,23,25,28)","","2019-09-10","2019-11-29","4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide","2019-12-04"],["4JF","(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11\n'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino\n-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside","C68 H90 N6 O24","c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O;CC[C]1(O[CH]2C[CH](OC)[CH](O)[CH](C)O2)[CH](O[CH]3C[CH](O)[CH]([CH](C)O3)N(C)C)[CH]4C(=C5C(=O)c6c(O)ccc(O)c6C(=O)C5=C4C(=O)[CH]1[CH]7C(=O)C8=C9[CH](C(=O)C%10=C(O)CC=C(O)[CH]%10C9=O)C(=C8[CH](O[CH]%11C[CH](O)[CH]([CH](C)O%11)N(C)C)[C]7(CC)O[CH]%12C[CH](OC)[CH](O)[CH](C)O%12)NN)NN;CCC1(C(C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2C1OC5CC(C(C(O5)C)N(C)C)O)NN)O)O)C6C(=O)C7=C8C(C(=C7C(C6(CC)OC9CC(C(C(O9)C)O)OC)OC1CC(C(C(O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)OC1CC(C(C(O1)C)O)OC","InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1","Lomaiviticin A","2016-03-18","2020-06-17","(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside","2016-06-01"],["LUX","(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL","C40 H72 O2","OC2CC(=C(/C=C/C(C)CCCC(C)CCCCC(C)CCCC(C)CCC1C(=CC(O)CC1(C)C)C)C(C)(C)C2)C;C[CH](CCCC[CH](C)CCC[CH](C)C=CC1=C(C)C[CH](O)CC1(C)C)CCC[CH](C)CC[CH]2C(=C[CH](O)CC2(C)C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=CC(CC2(C)C)O)C","InChI=1S/C40H72O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h21,23,26,29-32,35-36,38,41-42H,11-20,22,24-25,27-28H2,1-10H3/b23-21+/t29-,30+,31-,32?,35+,36-,38?/m1/s1","","2005-01-19","2011-06-04","(3S,3'S,6R,9R,9'R,13S,13'R)-4,5-didehydro-5,6,7,8,9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol",""],["4JG","1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone","C16 H14 N2 O S","O=C(c1sc(nc1C)Nc2ccc3c(c2)cccc3)C;CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C;Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C","InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)","1-(4-methyl-2-(naphthalen-2-ylamino)thiazol-5-yl)ethanone","2013-03-11","2021-03-01","1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone","2014-03-05"],["4JH","1-(3-bromophenyl)methanamine","C7 H8 Br N","c1(cccc(c1)Br)CN;NCc1cccc(Br)c1;c1cc(cc(c1)Br)CN","InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2","","2015-03-23","2015-08-07","1-(3-bromophenyl)methanamine","2015-08-12"],["LUY","~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine","C15 H15 N3","C(Cc1ccccc1)Nc2[nH]c3ccccc3n2;c1ccc(cc1)CCNc2[nH]c3ccccc3n2","InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)","","2019-03-15","2019-08-02","~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine","2019-08-07"],["LUZ","pteridine-2,4(1H,3H)-dione","C6 H4 N4 O2","O=C2c1nccnc1NC(=O)N2;O=C1NC(=O)c2nccnc2N1;c1cnc2c(n1)C(=O)NC(=O)N2","InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)","Lumazine; 2,4-dihydroxypteridine; 2,4-pteridinediol","2008-10-14","2020-05-27","pteridine-2,4(1H,3H)-dione",""],["4JI","N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide","C23 H27 N O6","COc1ccc(OC)c(C=CC(=O)c2cc(OC)c(OC)cc2CCNC(C)=O)c1;CC(=O)NCCc1cc(c(cc1C(=O)C=Cc2cc(ccc2OC)OC)OC)OC","InChI=1S/C23H27NO6/c1-15(25)24-11-10-16-13-22(29-4)23(30-5)14-19(16)20(26)8-6-17-12-18(27-2)7-9-21(17)28-3/h6-9,12-14H,10-11H2,1-5H3,(H,24,25)/b8-6+","","2021-07-31","2022-07-29","~{N}-[2-[2-[(~{E})-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide","2022-08-03"],["LV0","~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide","C21 H21 N3 O3 S","O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3;c1ccc(cc1)CC(C(C(=O)NCc2nccs2)O)NC(=O)c3ccccc3","InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1","","2022-12-08","2024-09-27","~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide","2023-03-29"],["4JJ","4-chlorobenzene-1,2-diamine","C6 H7 Cl N2","c1cc(Cl)cc(c1N)N;Nc1ccc(Cl)cc1N;c1cc(c(cc1Cl)N)N","InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2","","2015-03-23","2015-08-07","4-chlorobenzene-1,2-diamine","2015-08-12"],["LV1","1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea","C13 H11 F N2 O2","Oc1cccc(NC(=O)Nc2ccc(F)cc2)c1;c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F","InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)","","2019-03-15","2020-04-24","1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea","2020-04-29"],["4JK","(S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID","C7 H15 N3 O3","O=C(O)C(N)CCCNC(=[N@H])CO;N[CH](CCCNC(=N)CO)C(O)=O;C(CC(C(=O)O)N)CNC(=N)CO","InChI=1S/C7H15N3O3/c8-5(7(12)13)2-1-3-10-6(9)4-11/h5,11H,1-4,8H2,(H2,9,10)(H,12,13)/t5-/m0/s1","","2015-02-02","2015-04-24","N~5~-[(1E)-2-hydroxyethanimidoyl]-L-ornithine","2015-04-29"],["LV2","[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C11 H18 N3 O8 P","CN(C)C1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CN(C)C1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H18N3O8P/c1-13(2)7-3-4-14(11(17)12-7)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6,8-10,15-16H,5H2,1-2H3,(H2,18,19,20)/t6-,8-,9-,10-/m1/s1","","2019-09-10","2020-07-24","[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2020-07-29"],["4JL","(4-chlorophenyl)methanol","C7 H7 Cl O","Clc1ccc(cc1)CO;OCc1ccc(Cl)cc1;c1cc(ccc1CO)Cl","InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2","","2015-03-23","2015-08-07","(4-chlorophenyl)methanol","2015-08-12"],["4JM","4-(methylsulfanyl)aniline","C7 H9 N S","c1(SC)ccc(cc1)N;CSc1ccc(N)cc1;CSc1ccc(cc1)N","InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3","","2015-03-23","2015-08-07","4-(methylsulfanyl)aniline","2015-08-12"],["LV4","1-[2-(trifluoromethyloxy)phenyl]thiourea","C8 H7 F3 N2 O S","NC(=S)Nc1ccccc1OC(F)(F)F;c1ccc(c(c1)NC(=S)N)OC(F)(F)F","InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)","","2019-03-15","2019-07-05","1-[2-(trifluoromethyloxy)phenyl]thiourea","2019-07-10"],["4JN","6-bromopyridin-3-amine","C5 H5 Br N2","c1c(ncc(c1)N)Br;Nc1ccc(Br)nc1;c1cc(ncc1N)Br","InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2","","2015-03-23","2015-08-07","6-bromopyridin-3-amine","2015-08-12"],["LV5","3,4-Dichloroaniline","C6 H5 Cl2 N","Nc1ccc(Cl)c(Cl)c1;c1cc(c(cc1N)Cl)Cl","InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2","","2019-09-13","2020-09-25","3,4-bis(chloranyl)aniline","2020-09-30"],["LV7","~{N}-[2-(aminocarbamoyl)phenyl]ethanamide","C9 H11 N3 O2","CC(=O)Nc1ccccc1C(=O)NN;CC(=O)Nc1ccccc1C(=O)NN","InChI=1S/C9H11N3O2/c1-6(13)11-8-5-3-2-4-7(8)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)","","2019-03-15","2020-04-24","~{N}-[2-(aminocarbamoyl)phenyl]ethanamide","2020-04-29"],["4JO","5-bromo-6-methylpyridin-2-amine","C6 H7 Br N2","Brc1ccc(nc1C)N;Cc1nc(N)ccc1Br;Cc1c(ccc(n1)N)Br","InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)","","2015-03-23","2015-08-07","5-bromo-6-methylpyridin-2-amine","2015-08-12"],["4JP","1H-pyrrolo[3,2-b]pyridine","C7 H6 N2","n1cccc2c1ccn2;[nH]1ccc2ncccc12;c1cc2c(cc[nH]2)nc1","InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H","","2013-03-21","2013-07-26","1H-pyrrolo[3,2-b]pyridine","2013-07-31"],["LV8","(2~{S})-3-acetamido-2-azanyl-propanoic acid","C5 H10 N2 O3","CC(=O)NC[CH](N)C(O)=O;CC(=O)NCC(C(=O)O)N","InChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1","","2019-09-13","2024-09-27","(2~{S})-3-acetamido-2-azanyl-propanoic acid","2019-10-30"],["4JQ","6-amino-2H-chromen-2-one","C9 H7 N O2","c1c(cc2c(c1)OC(C=C2)=O)N;Nc1ccc2OC(=O)C=Cc2c1;c1cc2c(cc1N)C=CC(=O)O2","InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2","","2015-03-23","2015-08-07","6-amino-2H-chromen-2-one","2015-08-12"],["LV9","N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea","C18 H21 N3 O2","O=C(NC1(CCOCC1)Cc1ccccc1)Nc1cccnc1;O=C(Nc1cccnc1)NC2(CCOCC2)Cc3ccccc3;c1ccc(cc1)CC2(CCOCC2)NC(=O)Nc3cccnc3","InChI=1S/C18H21N3O2/c22-17(20-16-7-4-10-19-14-16)21-18(8-11-23-12-9-18)13-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H2,20,21,22)","","2023-08-15","2023-11-03","N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea","2023-11-08"],["LVA","(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID","C24 H38 O6","O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(OC(=O)C(C)CC)C12)C)C;CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH](O)C[CH](O)CC(O)=O)[CH]12;CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C","InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1","","2004-04-27","2011-06-04","(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid",""],["4JR","2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one","C25 H28 N4 O","O=C3N(c2ccc(c1ccccc1)cc2)CCC34CCN(CC4)Cc5nccn5C;Cn1ccnc1CN2CCC3(CC2)CCN(c4ccc(cc4)c5ccccc5)C3=O;Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5","InChI=1S/C25H28N4O/c1-27-18-14-26-23(27)19-28-15-11-25(12-16-28)13-17-29(24(25)30)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,14,18H,11-13,15-17,19H2,1H3","","2013-04-11","2013-10-25","2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one","2013-10-30"],["LVB","3-deoxytolcapone","C14 H11 N O4","Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O-])=O;Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O","InChI=1S/C14H11NO4/c1-9-2-4-10(5-3-9)14(17)11-6-7-13(16)12(8-11)15(18)19/h2-8,16H,1H3","","2019-09-14","2020-07-31","(4-methylphenyl)-(3-nitro-4-oxidanyl-phenyl)methanone","2020-08-05"],["4JS","N-(quinolin-3-yl)propanamide","C12 H12 N2 O","n1c2ccccc2cc(c1)NC(CC)=O;CCC(=O)Nc1cnc2ccccc2c1;CCC(=O)Nc1cc2ccccc2nc1","InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15)","N-(quinolin-3-yl)prop-2-enamide, bound form","2015-03-23","2024-09-27","N-(quinolin-3-yl)propanamide","2015-08-12"],["4JT","2H-1,4-benzothiazin-3-amine","C8 H8 N2 S","c1ccc2c(c1)N=C(CS2)N;NC1=Nc2ccccc2SC1;c1ccc2c(c1)N=C(CS2)N","InChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10)","","2015-03-24","2015-09-04","2H-1,4-benzothiazin-3-amine","2015-09-09"],["LVC","4-(2-oxopropyl)benzoic acid","C10 H10 O3","O=C(C)Cc1ccc(cc1)C(=O)O;CC(=O)Cc1ccc(cc1)C(O)=O;CC(=O)Cc1ccc(cc1)C(=O)O","InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)","","2022-03-04","2024-05-03","4-(2-oxopropyl)benzoic acid","2024-05-08"],["LVD","1-phenylmethoxyurea","C8 H10 N2 O2","NC(=O)NOCc1ccccc1;c1ccc(cc1)CONC(=O)N","InChI=1S/C8H10N2O2/c9-8(11)10-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)","","2019-03-15","2020-04-24","1-phenylmethoxyurea","2020-04-29"],["4JU","trans-4-methylcyclohexanamine","C7 H15 N","NC1CCC(CC1)C;C[CH]1CC[CH](N)CC1;CC1CCC(CC1)N","InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-","","2015-03-24","2015-09-04","trans-4-methylcyclohexanamine","2015-09-09"],["LVE","3-O-methyltolcapone","C15 H13 N O5","COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)cc2;Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-]","InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3","","2019-09-14","2020-07-31","(3-methoxy-5-nitro-4-oxidanyl-phenyl)-(4-methylphenyl)methanone","2020-08-05"],["4JV","5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine","C16 H16 N4 O","c1cc(c2c(N)nc(N)nc2c1)OCc3ccc(cc3)C;Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1;Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N","InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)","","2015-03-24","2015-09-04","5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine","2015-09-09"],["4JW","(2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide","C16 H15 N O3","c1ccc(cc1)N(C(=O)C3COc2ccccc2O3)C;CN(C(=O)[CH]1COc2ccccc2O1)c3ccccc3;CN(c1ccccc1)C(=O)C2COc3ccccc3O2","InChI=1S/C16H15NO3/c1-17(12-7-3-2-4-8-12)16(18)15-11-19-13-9-5-6-10-14(13)20-15/h2-10,15H,11H2,1H3/t15-/m0/s1","","2015-03-24","2015-09-11","(2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide","2015-09-16"],["LVF","2-(5-chloranyl-1H-indol-3-yl)ethanenitrile","C10 H7 Cl N2","Clc1ccc2[nH]cc(CC#N)c2c1;c1cc2c(cc1Cl)c(c[nH]2)CC#N","InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2","","2022-07-14","2023-03-24","2-(5-chloranyl-1~{H}-indol-3-yl)ethanenitrile","2023-03-29"],["4JX","N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C19 H24 N4 O2","Cc5cc(C)n1c(c(cn1)C(NC2C4CC3CC(CC2C3)(C4)O)=O)n5;Cc1cc(C)n2ncc(C(=O)NC3[CH]4CC5C[CH]3CC(O)(C5)C4)c2n1;Cc1cc(n2c(n1)c(cn2)C(=O)NC3C4CC5CC3CC(C5)(C4)O)C","InChI=1S/C19H24N4O2/c1-10-3-11(2)23-17(21-10)15(9-20-23)18(24)22-16-13-4-12-5-14(16)8-19(25,6-12)7-13/h3,9,12-14,16,25H,4-8H2,1-2H3,(H,22,24)/t12-,13-,14+,16-,19-","","2015-03-24","2016-01-29","N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-02-03"],["LVG","L-VINYLGLYCINE","C4 H7 N O2","O=C(O)C(C=C)N;N[CH](C=C)C(O)=O;C=CC(C(=O)O)N","InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1","(2S)-2-AMINO-3-BUTENOIC ACID; (2S)-2-AMINOBUT-3-ENOIC ACID","2004-05-27","2020-05-27","(2S)-2-aminobut-3-enoic acid",""],["LVH","(~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid","C26 H27 F3 N2 O2","C[CH]1Cc2c([nH]c3ccccc23)[C](C)(N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F;CC1Cc2c3ccccc3[nH]c2C(N1CC(C)(C)F)(C)c4c(cc(cc4F)C=CC(=O)O)F","InChI=1S/C26H27F3N2O2/c1-15-11-18-17-7-5-6-8-21(17)30-24(18)26(4,31(15)14-25(2,3)29)23-19(27)12-16(13-20(23)28)9-10-22(32)33/h5-10,12-13,15,30H,11,14H2,1-4H3,(H,32,33)/b10-9+/t15-,26-/m1/s1","","2019-09-16","2019-10-25","(~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid","2019-10-30"],["4JY","4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide","C28 H30 F N5 O2","CCOc1cc(OC(C)C)c(F)c(c1)[CH](Nc2ccc(cc2)C(N)=N)c3[nH]cc(n3)c4ccccc4;CCOc1cc(c(c(c1)OC(C)C)F)C(c2[nH]cc(n2)c3ccccc3)Nc4ccc(cc4)C(=N)N","InChI=1S/C28H30FN5O2/c1-4-35-21-14-22(25(29)24(15-21)36-17(2)3)26(33-20-12-10-19(11-13-20)27(30)31)28-32-16-23(34-28)18-8-6-5-7-9-18/h5-17,26,33H,4H2,1-3H3,(H3,30,31)(H,32,34)/t26-/m1/s1","","2015-03-24","2015-04-24","4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide","2015-04-29"],["LVJ","2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide","C27 H32 Cl2 F3 N5 O4","FC(F)(F)CNC(=O)c2cc3nc(Nc1c(Cl)c(ccc1Cl)CNC(=O)C(C)(C)C)n(c3cc2OCC(O)(C)C)C;Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc3cc(C(=O)NCC(F)(F)F)c(OCC(C)(C)O)cc13;CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl","InChI=1S/C27H32Cl2F3N5O4/c1-25(2,3)23(39)33-11-14-7-8-16(28)21(20(14)29)36-24-35-17-9-15(22(38)34-12-27(30,31)32)19(10-18(17)37(24)6)41-13-26(4,5)40/h7-10,40H,11-13H2,1-6H3,(H,33,39)(H,34,38)(H,35,36)","","2013-05-27","2014-09-05","2-[(2,6-dichloro-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2-hydroxy-2-methylpropoxy)-1-methyl-N-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxamide","2014-04-16"],["4JZ","1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea","C24 H27 N7 O2","O=C(N=C2/C=C(NN2c1ccc(cc1)C)C(C)(C)C)Nc3cc(nn3)COc4cccnc4;Cc1ccc(cc1)N2NC(=CC2=NC(=O)Nc3[nH]nc(COc4cccnc4)c3)C(C)(C)C;Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C","InChI=1S/C24H27N7O2/c1-16-7-9-18(10-8-16)31-22(13-20(30-31)24(2,3)4)27-23(32)26-21-12-17(28-29-21)15-33-19-6-5-11-25-14-19/h5-14,30H,15H2,1-4H3,(H2,26,28,29,32)/b27-22+","","2009-02-04","2011-06-04","1-[(3E)-5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea",""],["4K0","4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile","C19 H12 N8","N#Cc5ccc(c1nn2c(nnc2nc1)Cc4c3cccnc3nc4)cc5;N#Cc1ccc(cc1)c2cnc3nnc(Cc4c[nH]c5ncccc45)n3n2;c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N","InChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22)","","2012-03-27","2014-09-05","4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile","2012-09-21"],["LVK","4-propanoylbenzoic acid","C10 H10 O3","OC(=O)c1ccc(cc1)C(=O)CC;CCC(=O)c1ccc(cc1)C(O)=O;CCC(=O)c1ccc(cc1)C(=O)O","InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)","","2022-03-04","2024-05-03","4-propanoylbenzoic acid","2024-05-08"],["LVL","2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile","C11 H7 F3 N2","FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1;c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N","InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2","","2022-07-14","2022-10-07","2-[5-(trifluoromethyl)-1~{H}-indol-3-yl]ethanenitrile","2022-10-12"],["4K1","2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide","C29 H31 F N6 O3","CCOc1cc(OC(C)C)c(F)c(c1)[CH](Nc2ccc(cc2)C(N)=N)c3[nH]cc(n3)c4ccccc4C(N)=O;CCOc1cc(c(c(c1)OC(C)C)F)C(c2[nH]cc(n2)c3ccccc3C(=O)N)Nc4ccc(cc4)C(=N)N","InChI=1S/C29H31FN6O3/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(35-18-11-9-17(10-12-18)27(31)32)29-34-15-23(36-29)20-7-5-6-8-21(20)28(33)37/h5-16,26,35H,4H2,1-3H3,(H3,31,32)(H2,33,37)(H,34,36)/t26-/m1/s1","","2015-03-24","2015-04-24","2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide","2015-04-29"],["LVM","N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide","C14 H18 N2 O","O=C(Nc1cnccc1C)CC1CC2(CC2)C1;Cc1ccncc1NC(=O)CC2CC3(CC3)C2;Cc1ccncc1NC(=O)CC2CC3(C2)CC3","InChI=1S/C14H18N2O/c1-10-2-5-15-9-12(10)16-13(17)6-11-7-14(8-11)3-4-14/h2,5,9,11H,3-4,6-8H2,1H3,(H,16,17)","","2023-08-15","2023-11-03","N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide","2023-11-08"],["4K2","quinolin-8-yl piperidine-1-carboxylate","C15 H16 N2 O2","c2cc1cccnc1c(c2)OC(=O)N3CCCCC3;O=C(Oc1cccc2cccnc12)N3CCCCC3;c1cc2cccnc2c(c1)OC(=O)N3CCCCC3","InChI=1S/C15H16N2O2/c18-15(17-10-2-1-3-11-17)19-13-8-4-6-12-7-5-9-16-14(12)13/h4-9H,1-3,10-11H2","","2015-03-25","2015-09-11","quinolin-8-yl piperidine-1-carboxylate","2015-09-16"],["LVN","(3S)-4-oxo-L-valine","C5 H9 N O3","C[CH](C=O)[CH](N)C(O)=O;CC(C=O)C(C(=O)O)N","InChI=1S/C5H9NO3/c1-3(2-7)4(6)5(8)9/h2-4H,6H2,1H3,(H,8,9)/t3-,4+/m1/s1","(2S,3S)-2-amino-3-methyl-4-oxo-butanoic acid","2009-11-29","2024-09-27","(2S,3S)-2-azanyl-3-methyl-4-oxo-butanoic acid",""],["4K3","N-phenyl-3-sulfanylpropanamide","C9 H11 N O S","c1ccc(cc1)NC(CCS)=O;SCCC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)CCS","InChI=1S/C9H11NOS/c11-9(6-7-12)10-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)","","2015-03-25","2015-09-11","N-phenyl-3-sulfanylpropanamide","2015-09-16"],["LVO","5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid","C21 H36 N4 O8","O=C(OCC(O)C(OC)C1OC(=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCCC;CCCCCCCC(=O)OC[CH](O)[CH](OC)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)NC(=N)N)NC(=O)C)OC)O","InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic\nacid; Laninamivir octanoate","2011-09-07","2020-07-17","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic\nacid",""],["4K4","2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C31 H38 N8 O3","c23N(c1c(cccc1)C(=O)N(c2cnc(n3)Nc6c(cc(C(N5CCC(N4CCN(C)CC4)CC5)=O)cc6)OC)C)C;COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)C(=O)N5CCC(CC5)N6CCN(C)CC6;CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C","InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)","","2015-03-25","2015-05-01","2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2015-05-06"],["4K5","(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone","C20 H21 F4 N5 O3","c1(nc(ncc1C(F)(F)F)Nc2c(cc(c(c2)F)C(=O)N3CCOCC3)OC)NC4CC4;COc1cc(c(F)cc1Nc2ncc(c(NC3CC3)n2)C(F)(F)F)C(=O)N4CCOCC4;COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4","InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28)","","2015-03-25","2015-05-01","(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone","2015-05-06"],["LVP","~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide","C10 H8 F N3 O2","Fc1ccccc1NNC(=O)c2oncc2;c1ccc(c(c1)NNC(=O)c2ccno2)F","InChI=1S/C10H8FN3O2/c11-7-3-1-2-4-8(7)13-14-10(15)9-5-6-12-16-9/h1-6,13H,(H,14,15)","","2019-03-15","2020-04-24","~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide","2020-04-29"],["LVQ","octa-anionic calixarene","C38 H37 As Na O25 S4","C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)=O)[S](O)(=O)=O;C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C38H38AsO25S4.Na/c1-39(2,47)64-34(46)18-63-38-25-5-23-11-28(66(51,52)53)9-21(36(23)61-16-32(42)43)3-19-7-27(65(48,49)50)8-20(35(19)60-15-31(40)41)4-22-10-29(67(54,55)56)12-24(37(22)62-17-33(44)45)6-26(38)14-30(13-25)68(57,58)59;/h7-14,47H,3-6,15-18H2,1-2H3,(H,40,41)(H,42,43)(H,44,45)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);/q-1;+6/p-1","","2019-09-17","2020-07-17","","2020-07-22"],["4K6","N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide","C20 H20 N6 O","O=C(c1ccc(cc1)n2cnnc2)NCCc3nc4c(n3)cc(c(c4)C)C;Cc1cc2[nH]c(CCNC(=O)c3ccc(cc3)n4cnnc4)nc2cc1C;Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4","InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)","","2015-03-26","2015-05-15","N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide","2015-05-20"],["4K7","(5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide","C24 H29 Cl2 N3 O","c1cc(ccc1C)CNC(=O)N4CCCC2(CCN(C2)Cc3ccc(c(c3)Cl)Cl)C4;Cc1ccc(CNC(=O)N2CCC[C]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)cc1;Cc1ccc(cc1)CNC(=O)N2CCCC3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl","InChI=1S/C24H29Cl2N3O/c1-18-3-5-19(6-4-18)14-27-23(30)29-11-2-9-24(17-29)10-12-28(16-24)15-20-7-8-21(25)22(26)13-20/h3-8,13H,2,9-12,14-17H2,1H3,(H,27,30)/t24-/m1/s1","","2015-03-26","2015-11-06","(5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide","2015-11-11"],["LVR","1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol","C22 H30 N5 O8 P","O=P(O)(O)OCC(O)C(O)CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O;NCCNc1ccc(NCCNCC[CH](O)[CH](O)CO[P](O)(O)=O)c2C(=O)c3cnccc3C(=O)c12;c1cc(c2c(c1NCCN)C(=O)c3ccncc3C2=O)NCCNCCC(C(COP(=O)(O)O)O)O","InChI=1S/C22H30N5O8P/c23-5-8-26-15-1-2-16(20-19(15)21(30)13-3-6-25-11-14(13)22(20)31)27-10-9-24-7-4-17(28)18(29)12-35-36(32,33)34/h1-3,6,11,17-18,24,26-29H,4-5,7-10,12,23H2,(H2,32,33,34)/t17-,18-/m0/s1","","2022-03-07","2023-03-21","1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-phosphono-L-threo-pentitol","2023-03-15"],["LVS","4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE","C28 H43 I N4 O8 S","O=[N+]([O-])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)NC(C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)Cc1cc(I)c(O)c(c1)[N+]([O-])=O)C=C[S](C)(=O)=O;CC(C)CC(C=CS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-]","InChI=1S/C28H43IN4O8S/c1-16(2)10-20(8-9-42(7,40)41)30-27(36)23(12-18(5)6)32-28(37)22(11-17(3)4)31-25(34)15-19-13-21(29)26(35)24(14-19)33(38)39/h8-9,13-14,16-18,20,22-23,35H,10-12,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,37)/t20-,22+,23+/m1/s1","","2002-03-04","2024-09-27","N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-L-leucyl-N-{(1S)-3-methyl-1-[(Z)-2-(methylsulfonyl)ethenyl]butyl}-L-leucinamide",""],["4K8","isoquinoline-3-carboxylic acid","C10 H7 N O2","c2c1c(cc(C(O)=O)nc1)ccc2;OC(=O)c1cc2ccccc2cn1;c1ccc2cnc(cc2c1)C(=O)O","InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)","","2015-03-26","2015-04-17","isoquinoline-3-carboxylic acid","2015-04-22"],["4K9","4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide","C16 H16 N2 O3 S","c1cccc3c1N(C(c2ccc(S(=O)(=O)N)cc2)=O)CCC3;N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCc3ccccc23;c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)","","2015-03-27","2015-08-21","4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide","2015-08-26"],["LVT","octa-anionic calix[4]arene","C36 H32 O24 S4","OC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5OCC(O)=O)[S](O)(=O)=O)c4OCC(O)=O)[S](O)(=O)=O)c3OCC(O)=O)[S](O)(=O)=O;c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O","InChI=1S/C36H32O24S4/c37-29(38)13-57-33-17-1-18-6-26(62(48,49)50)8-20(34(18)58-14-30(39)40)3-22-10-28(64(54,55)56)12-24(36(22)60-16-32(43)44)4-23-11-27(63(51,52)53)9-21(35(23)59-15-31(41)42)2-19(33)7-25(5-17)61(45,46)47/h5-12H,1-4,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)","","2019-09-17","2020-01-10","","2020-01-15"],["4KA","3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole","C5 H6 N4","n1ncc2c1c(nn2)C;Cc1n[nH]c2c[nH]nc12;Cc1c2c(c[nH]n2)[nH]n1","InChI=1S/C5H6N4/c1-3-5-4(8-7-3)2-6-9-5/h2H,1H3,(H,6,9)(H,7,8)","","2013-04-29","2013-09-06","3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole","2013-09-11"],["LVU","2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile","C9 H5 Br2 N3","Brc1cc2[nH]nc(CC#N)c2cc1Br;c1c2c(cc(c1Br)Br)[nH]nc2CC#N","InChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)","","2022-07-14","2023-03-24","2-[5,6-bis(bromanyl)-1~{H}-indazol-3-yl]ethanenitrile","2023-03-29"],["4KB","4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide","C16 H16 N2 O5 S","c1c(c(cc3c1CN(C(c2ccc(cc2)S(=O)(N)=O)=O)CC3)O)O;N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3C2;c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N","InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)","","2015-03-27","2015-08-21","4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide","2015-08-26"],["LVV","4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide","C12 H17 N O2 S","Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1;Cc1ccc(cc1)CN2CCS(=O)(=O)CC2","InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3","","2019-03-15","2019-08-16","4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide","2019-08-21"],["4KC","4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide","C16 H16 N2 O3 S","c1cccc3c1CN(C(c2ccc(cc2)S(=O)(=O)N)=O)CC3;N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3ccccc3C2;c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)","","2015-03-27","2015-08-21","4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide","2015-08-26"],["LVW","(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol","C6 H12 O2 Se","O[CH](C[SeH])COCC=C;C=CCOCC(C[SeH])O","InChI=1S/C6H12O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7,9H,1,3-5H2/t6-/m1/s1","","2019-09-23","2020-10-02","(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol","2020-10-07"],["LVX","(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide","C25 H32 F2 N4 O5 S","COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3;COCC(C(=O)NC(Cc1ccccc1)C(C(=O)NCc2nccs2)O)NC(=O)C3CCCC(C3)(F)F","InChI=1S/C25H32F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19,21,32H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17-,18-,19-,21+/m1/s1","","2022-12-08","2024-09-27","(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide","2023-03-29"],["4KD","4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide","C18 H20 N2 O5 S","COc1cc2CCN(Cc2cc1OC)C(=O)c3ccc(cc3)[S](N)(=O)=O;COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)","","2015-03-27","2015-08-21","4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide","2015-08-26"],["LVY","S-Lenalidomide","C13 H13 N3 O3","O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N;Nc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O;c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1","","2013-12-05","2014-09-05","(3S)-3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione","2014-07-16"],["4KE","(3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid","C16 H16 O7","O=C(O)C2=CC(O)C(O)C(OC(=O)C=Cc1ccc(O)cc1)C2;O[CH]1C=C(C[CH](OC(=O)C=Cc2ccc(O)cc2)[CH]1O)C(O)=O;c1cc(ccc1C=CC(=O)OC2CC(=CC(C2O)O)C(=O)O)O","InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15+/m1/s1","","2013-04-30","2013-05-17","(3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid","2013-05-22"],["LVZ","propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside","C9 H19 N O11 S2","O=S(=O)(O)OCC1OC(OC(C)C)C(NS(=O)(=O)O)C(O)C1O;CC(C)O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O;CC(C)OC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O","InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1","propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside; propan-2-yl\n2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucoside; propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucoside","2012-07-18","2020-07-17","propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside","2013-07-31"],["4KF","(2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid","C17 H25 N O6","c1c(OC)cc(cc1CNC(C(C(C(=O)O)C(CC)C)O)=O)OC;CC[CH](C)[CH]([CH](O)C(=O)NCc1cc(OC)cc(OC)c1)C(O)=O;CCC(C)C(C(C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O","InChI=1S/C17H25NO6/c1-5-10(2)14(17(21)22)15(19)16(20)18-9-11-6-12(23-3)8-13(7-11)24-4/h6-8,10,14-15,19H,5,9H2,1-4H3,(H,18,20)(H,21,22)/t10-,14-,15+/m0/s1","","2015-03-27","2024-09-27","(2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid","2015-05-27"],["4KG","2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one","C25 H23 N3 O2","c1c(cccc1)C2OC(CC2)CN3C(N)=Nc4cc(ccc4C3=O)c5ccccc5;NC1=Nc2cc(ccc2C(=O)N1C[CH]3CC[CH](O3)c4ccccc4)c5ccccc5;c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)CC4CCC(O4)c5ccccc5)N","InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m1/s1","","2015-03-28","2016-01-08","2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one","2016-01-13"],["LW0","3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide","C17 H14 F N5 O","Fc1cccc(c1)C(=O)NC1CC(c2nnn[NH]2)c2ccccc12;Fc1cccc(c1)C(=O)N[CH]2C[CH](c3[nH]nnn3)c4ccccc24;c1ccc2c(c1)C(CC2NC(=O)c3cccc(c3)F)c4[nH]nnn4","InChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1","","2022-03-08","2023-03-17","3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide","2023-03-22"],["4KH","2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide","C15 H10 F N3 O S","c3c(c2nc(NC(c1c(cccc1)F)=O)sc2)ccnc3;Fc1ccccc1C(=O)Nc2scc(n2)c3ccncc3;c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F","InChI=1S/C15H10FN3OS/c16-12-4-2-1-3-11(12)14(20)19-15-18-13(9-21-15)10-5-7-17-8-6-10/h1-9H,(H,18,19,20)","","2015-03-30","2015-06-05","2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide","2015-06-10"],["LW1","thiophene-2-carbaldehyde","C5 H4 O S","C(c1cccs1)=O;O=Cc1sccc1;c1cc(sc1)C=O","InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H","","2018-04-20","2024-09-27","thiophene-2-carbaldehyde","2019-06-12"],["4KJ","(5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline","C8 H16 N4 O3","O=C(O)C(N)CC/C=N/C(=[N@H])N(OC)C;CON(C)C(=N)N=CCC[CH](N)C(O)=O;CN(C(=N)N=CCCC(C(=O)O)N)OC","InChI=1S/C8H16N4O3/c1-12(15-2)8(10)11-5-3-4-6(9)7(13)14/h5-6,10H,3-4,9H2,1-2H3,(H,13,14)/b10-8-,11-5+/t6-/m0/s1","","2012-07-13","2013-05-10","(5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline","2013-05-15"],["LW2","(3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one","C8 H10 O3 S","CC(C(C(c1sccc1)O)O)=O;CC(=O)[CH](O)[CH](O)c1sccc1;CC(=O)C(C(c1cccs1)O)O","InChI=1S/C8H10O3S/c1-5(9)7(10)8(11)6-3-2-4-12-6/h2-4,7-8,10-11H,1H3/t7-,8-/m1/s1","","2018-04-20","2019-06-07","(3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one","2019-06-12"],["4KK","2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide","C17 H15 N3 O2 S","COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3;COc1cccc(CC(=O)Nc2scc(n2)c3ccncc3)c1;COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3","InChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21)","","2015-03-30","2015-06-05","2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide","2015-06-10"],["LW3","2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile","C9 H5 Br Cl N3","Clc1cc2[nH]nc(CC#N)c2cc1Br;c1c2c(cc(c1Br)Cl)[nH]nc2CC#N","InChI=1S/C9H5BrClN3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)","","2022-07-14","2022-10-07","2-(5-bromanyl-6-chloranyl-1~{H}-indazol-3-yl)ethanenitrile","2022-10-12"],["LW4","3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione","C25 H22 N6 O2","O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)c5nc(nc4ccccc45)N6CCN(C)CC6;CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6ccccc56;CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6","InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)","","2009-09-08","2011-06-04","3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione",""],["4KL","Xanthuric acid","C10 H7 N O4","Oc1cc(C(O)=O)nc2c1cccc2O;OC(=O)c1cc(O)c2cccc(O)c2n1;c1cc2c(cc(nc2c(c1)O)C(=O)O)O","InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)","Xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid","2015-03-31","2020-06-17","4,8-dihydroxyquinoline-2-carboxylic acid","2015-11-18"],["LW5","4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide","C23 H27 F N2 O4","C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC[CH](O)CC2)c3ccccc3;CC(c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O","InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1","","2019-09-23","2020-03-27","4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide","2020-04-01"],["4KM","tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate","C22 H24 F3 N O4","CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1;CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F","InChI=1S/C22H24F3NO4/c1-14(27)26(5)17-8-10-18(11-9-17)29-13-15-6-7-16(22(23,24)25)12-19(15)20(28)30-21(2,3)4/h6-12H,13H2,1-5H3","","2015-06-18","2015-08-21","tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate","2015-08-26"],["4KN","2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone","C14 H11 F O5","c1c(ccc(c1)F)OCC(c2ccc(O)c(O)c2O)=O;Oc1ccc(c(O)c1O)C(=O)COc2ccc(F)cc2;c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F","InChI=1S/C14H11FO5/c15-8-1-3-9(4-2-8)20-7-12(17)10-5-6-11(16)14(19)13(10)18/h1-6,16,18-19H,7H2","","2015-04-01","2015-04-24","2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone","2015-04-29"],["LW6","1H-indole-4-carbaldehyde","C9 H7 N O","O=Cc1cccc2[NH]ccc12;O=Cc1cccc2[nH]ccc12;c1cc(c2cc[nH]c2c1)C=O","InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H","","2023-08-15","2024-09-27","1H-indole-4-carbaldehyde","2023-11-08"],["4KO","(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia\n-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","C15 H17 N7 O5 S3","N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O;CO[C]1(NC(=O)CSCC#N)[CH]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C;Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O","InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1","Cefmetazole","2013-05-13","2020-06-17","(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2013-06-05"],["LW7","1-(2-phenylethyl)-3,4-dihydroisoquinoline","C17 H17 N","C1Cc2ccccc2C(=N1)CCc3ccccc3;c1ccc(cc1)CCC2=NCCc3c2cccc3","InChI=1S/C17H17N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9H,10-13H2","","2019-03-05","2020-02-21","1-(2-phenylethyl)-3,4-dihydroisoquinoline","2020-02-26"],["4KP","8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine","C36 H35 I N5 O2 P S","c1(ncnc2c1nc(n2CCCCCCP(c3ccccc3)(c4ccccc4)c5ccccc5)Sc6c(cc7c(c6)OCO7)I)N;Nc1ncnc2n(CCCCCC[PH](c3ccccc3)(c4ccccc4)c5ccccc5)c(Sc6cc7OCOc7cc6I)nc12;c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7","InChI=1S/C36H35IN5O2PS/c37-29-22-30-31(44-25-43-30)23-32(29)46-36-41-33-34(38)39-24-40-35(33)42(36)20-12-1-2-13-21-45(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19,22-24,45H,1-2,12-13,20-21,25H2,(H2,38,39,40)","","2015-04-01","2015-04-17","8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine","2015-04-22"],["LW8","trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium","C9 H16 N3 O2 S","C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O;C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O","InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1","","2019-08-30","2024-09-27","trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium","2020-08-26"],["4KQ","2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid","C27 H25 F3 O6","CC(C)(C)OC(=O)c1c(O)c(ccc1COc2ccc(cc2)c3ccc(CC(O)=O)cc3)C(F)(F)F;CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O","InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(10-13-21(24(23)33)27(28,29)30)15-35-20-11-8-18(9-12-20)17-6-4-16(5-7-17)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)","","2015-06-18","2015-08-21","2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid","2015-08-26"],["LW9","3-ethylheptane","C9 H20","CCCCC(CC)CC;CCCCC(CC)CC","InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3","","2019-03-05","2020-02-21","3-ethylheptane","2020-02-26"],["LWA","(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide","C12 H14 N2 O3","NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1;c1cc(ccc1C(=O)N)NC(=O)C2CCCO2","InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1","","2019-03-15","2020-03-20","(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide","2020-03-25"],["4KR","7-aminocephalosporanic acid","C10 H12 N2 O5 S","O=C(O)C=1N2C(=O)C(N)C2SCC=1COC(=O)C;CC(=O)OCC1=C(N2[CH](SC1)[CH](N)C2=O)C(O)=O;CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O","InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1","(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2013-05-29","2020-06-17","(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2013-06-05"],["4KS","4-methoxyphenol","C7 H8 O2","c1(O)ccc(cc1)OC;COc1ccc(O)cc1;COc1ccc(cc1)O","InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3","","2015-04-01","2016-04-08","4-methoxyphenol","2016-04-13"],["LWB","4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","C30 H33 N5 O3","COCc1nc2cnc3cc(c(OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c(C)onc6C;Cc1c(c(on1)C)c2cc3c(cc2OCC4CCNC4)c5c(cn3)nc(n5C(C)c6ccccc6)COC","InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1","","2019-09-23","2020-03-27","4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","2020-04-01"],["LWD","~{N}-quinolin-6-ylbenzamide","C16 H12 N2 O","O=C(Nc1ccc2ncccc2c1)c3ccccc3;c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3","InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)","","2019-03-15","2020-04-24","~{N}-quinolin-6-ylbenzamide","2020-04-29"],["4KT","4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile","C24 H24 N4 O3","COc1ccc(cc1c2ccnc(Nc3ccc(N4CCOCC4)c(OC)c3)c2)C#N;COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N","InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)","","2015-07-23","2016-07-22","4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile","2016-07-27"],["LWE","(+)-menthone","C10 H18 O","CC(C)[CH]1CC[CH](C)CC1=O;CC1CCC(C(=O)C1)C(C)C","InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1","","2022-07-14","2023-08-11","(2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexan-1-one","2023-08-16"],["4KU","2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}","C16 H20 N2 O6 S4","OS(=O)(c1c(ccc(c1)NCS)CCc2ccc(NCS)cc2S(=O)(O)=O)=O;O[S](=O)(=O)c1cc(NCS)ccc1CCc2ccc(NCS)cc2[S](O)(=O)=O;c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS","InChI=1S/C16H20N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h3-8,17-18,25-26H,1-2,9-10H2,(H,19,20,21)(H,22,23,24)","","2015-04-01","2024-09-27","2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}","2015-11-04"],["4KV","3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol","C13 H18 Cl O3 Pt S3","CCSC(=S)C=C(O[Pt](Cl)[S](C)(C)O)c1cccc(O)c1;CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl","InChI=1S/C11H12O2S2.C2H7OS.ClH.Pt/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-4(2)3;;/h3-7,12-13H,2H2,1H3;3H,1-2H3;1H;/q;+1;;+1/p-2/b10-7-;;;","","2015-04-01","2015-08-28","3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol","2015-09-02"],["LWF","(1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid","C7 H10 F2 O2","OC(=O)[CH]1CCCC(F)(F)C1;C1CC(CC(C1)(F)F)C(=O)O","InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11)/t5-/m1/s1","","2022-12-08","2023-03-24","(1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid","2023-03-29"],["LWG","6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one","C10 H4 Cl2 N2 O S","Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2;Clc1ccc(Cl)c2c1sc3C(=O)NC=Nc23;c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl","InChI=1S/C10H4Cl2N2OS/c11-4-1-2-5(12)8-6(4)7-9(16-8)10(15)14-3-13-7/h1-3H,(H,13,14,15)","","2009-09-22","2011-06-04","6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one",""],["4KW","1-monoenoyl-CoA","C28 H44 N7 O17 P3 S","OC(C(NCCC(NCCSC(C1=CCCCC1)=O)=O)=O)C(C)(C)COP(O)(=O)OP(O)(OCC4OC(n2c3c(nc2)c(N)ncn3)C(C4OP(=O)(O)O)O)=O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4)O","InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1","Cyclohex-1-ene-1-carbonyl-CoA","2015-04-01","2022-07-08","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohex-1-ene-1-carbothioate (non-preferred name)","2022-07-13"],["4KX","1,5 Dienoyl-CoA","C28 H42 N7 O17 P3 S","n1c(c4c(nc1)n(C2OC(C(C2O)OP(=O)(O)O)COP(O)(OP(O)(OCC(C(C(NCCC(NCCSC(C3=CCCC=C3)=O)=O)=O)O)(C)C)=O)=O)cn4)N;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O","InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1","Cyclohex-1,5-diene-1-carbonyl-CoA","2015-04-01","2021-03-13","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohexa-1,5-diene-1-carbothioate (non-preferred name)","2015-06-24"],["LWH","4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol","C21 H20 N6 O","n1c(nc3c(c1NC2CCNC2)cccc3)c5cc(c4ccnn4)ccc5O;Oc1ccc(cc1c2nc(N[CH]3CCNC3)c4ccccc4n2)c5[nH]ncc5;c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)NC5CCNC5","InChI=1S/C21H20N6O/c28-19-6-5-13(17-8-10-23-27-17)11-16(19)21-25-18-4-2-1-3-15(18)20(26-21)24-14-7-9-22-12-14/h1-6,8,10-11,14,22,28H,7,9,12H2,(H,23,27)(H,24,25,26)/t14-/m0/s1","","2010-07-26","2011-06-04","4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol",""],["4KY","(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline","C15 H25 N O4","C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O;CC(=O)N1C[CH](C[CH]1C(O)=O)OCCCCCCC=C;CC(=O)N1CC(CC1C(=O)O)OCCCCCCC=C","InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1","","2015-04-01","2024-09-27","(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline","2015-07-29"],["LWI","2-(aminomethyl)-L-phenylalanine","C10 H14 N2 O2","NC(Cc1ccccc1CN)C(O)=O;NCc1ccccc1C[CH](N)C(O)=O;c1ccc(c(c1)CC(C(=O)O)N)CN","InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1","","2020-06-09","2024-09-27","2-(aminomethyl)-L-phenylalanine","2021-03-31"],["4KZ","N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide","C22 H23 B N4 O4","c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3;OB(O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)c3cnccn3;B(C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3cnccn3)(O)O","InChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1","","2015-04-02","2024-09-27","N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide","2016-03-16"],["LWJ","[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone","C20 H16 N6 O","O=C(c1c(N)n(nc1)c3cc2nc(nc2cc3)C)c5cc4ccccc4n5;Cc1[nH]c2cc(ccc2n1)n3ncc(c3N)C(=O)c4[nH]c5ccccc5c4;Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N","InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)","","2013-10-10","2014-09-12","[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone","2014-09-17"],["4L0","(4R)-1-acetyl-4-(hexyloxy)-L-proline","C13 H23 N O4","N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O;CCCCCCO[CH]1C[CH](N(C1)C(C)=O)C(O)=O;CCCCCCOC1CC(N(C1)C(=O)C)C(=O)O","InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1","(4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form)","2015-04-02","2024-09-27","(4R)-1-acetyl-4-(hexyloxy)-L-proline","2015-07-29"],["LWK","(3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione","C25 H27 N3 O3","O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1CCN(Cc2ccccc2)CC1;O=C1CC[CH](N2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N1;c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O","InChI=1S/C25H27N3O3/c29-23-9-8-22(24(30)26-23)28-16-20-14-19(6-7-21(20)25(28)31)18-10-12-27(13-11-18)15-17-4-2-1-3-5-17/h1-7,14,18,22H,8-13,15-16H2,(H,26,29,30)/t22-/m0/s1","","2022-03-09","2023-03-03","(3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione","2023-03-08"],["LWL","N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium","C11 H17 N4 O","C[N+](C)(C)CC(=O)NN=Cc1ccccn1;C[N+](C)(C)CC(=O)NN=Cc1ccccn1","InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1","~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide","2022-07-15","2023-06-09","trimethyl-[2-oxidanylidene-2-[(2~{E})-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium","2023-06-14"],["4L1","5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole","C24 H23 N7","C1N(CCN(C1)C)c2ccc3nc(nc3c2)c4cc5c(cc4)nc(n5)c6ncccc6;CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccccn6;CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6","InChI=1S/C24H23N7/c1-30-10-12-31(13-11-30)17-6-8-19-22(15-17)28-23(26-19)16-5-7-18-21(14-16)29-24(27-18)20-4-2-3-9-25-20/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)","","2015-04-02","2016-04-29","5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole","2016-05-04"],["4L2","1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one","C16 H18 N2 O2","O=C1CCCCN1c3cc2N(C)C(=O)C=C(C)c2cc3;CN1C(=O)C=C(C)c2ccc(cc12)N3CCCCC3=O;CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C","InChI=1S/C16H18N2O2/c1-11-9-16(20)17(2)14-10-12(6-7-13(11)14)18-8-4-3-5-15(18)19/h6-7,9-10H,3-5,8H2,1-2H3","","2015-04-05","2015-05-15","1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one","2015-05-20"],["LWM","[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate","C11 H18 N5 O7 P","O=C1C(NC=O)=C(N=C(N)N1)NC2CC(COP(=O)(O)O)C(O)C2;NC1=NC(=C(NC=O)C(=O)N1)N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2;C1C(CC(C1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O","InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1","","2012-08-07","2013-02-15","[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate","2013-02-15"],["4L3","tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate","C27 H31 N3 O4","CC1=CC(=O)N(C)c2c1ccc(c2)N3C(=O)CCC(C3c4ccccc4)NC(=O)OC(C)(C)C;CN1C(=O)C=C(C)c2ccc(cc12)N3[CH]([CH](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4;CC1=CC(=O)N(c2c1ccc(c2)N3C(C(CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C","InChI=1S/C27H31N3O4/c1-17-15-24(32)29(5)22-16-19(11-12-20(17)22)30-23(31)14-13-21(28-26(33)34-27(2,3)4)25(30)18-9-7-6-8-10-18/h6-12,15-16,21,25H,13-14H2,1-5H3,(H,28,33)/t21-,25+/m0/s1","","2015-04-05","2015-05-15","tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate","2015-05-20"],["LWN","methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate","C15 H14 F2 N6 O2","COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n(C)ncc13;Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC","InChI=1S/C15H14F2N6O2/c1-23-14-9(6-19-23)13(18-7-12(24)25-2)21-15(22-14)20-8-3-4-10(16)11(17)5-8/h3-6H,7H2,1-2H3,(H2,18,20,21,22)","","2019-09-24","2020-07-31","methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate","2020-08-05"],["4L4","Hygromycin A","C23 H29 N O12","CC(=O)C1OC(C(C1O)O)Oc2c(cc(cc2)[C@H]=C(C(NC4C(C3OCOC3C(O)C4O)O)=O)C)O;CC(=O)[CH]1O[CH](Oc2ccc(C=C(C)C(=O)N[CH]3[CH](O)[CH](O)[CH]4OCO[CH]4[CH]3O)cc2O)[CH](O)[CH]1O;CC(=Cc1ccc(c(c1)O)OC2C(C(C(O2)C(=O)C)O)O)C(=O)NC3C(C(C4C(C3O)OCO4)O)O","InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14-,15+,16+,17+,18+,19-,20-,21+,23-/m1/s1","","2015-04-06","2015-05-29","(2E)-3-{4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aR,4S,5R,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]prop-2-enamide","2015-06-03"],["LWO","2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide","C20 H19 N5 O S","O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC)cc1;CNc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34;CNc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C20H19N5OS/c1-21-16-6-8-17(9-7-16)24(12-15-10-11-27-14-15)20(26)13-25-19-5-3-2-4-18(19)22-23-25/h2-11,14,21H,12-13H2,1H3","","2023-08-15","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide","2023-11-08"],["4L5","2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide","C17 H19 N5 O2","c1(ccc(C(N)=O)c(c1)OC)c3n2c(ccc(n2)NC(C)C)nc3;COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23;CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N","InChI=1S/C17H19N5O2/c1-10(2)20-15-6-7-16-19-9-13(22(16)21-15)11-4-5-12(17(18)23)14(8-11)24-3/h4-10H,1-3H3,(H2,18,23)(H,20,21)","","2015-04-07","2015-05-22","2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide","2015-05-27"],["LWQ","~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide","C27 H23 N5 O2","C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc3cc4ccccc4[n+](C)c3)cc5ccccc15;C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C","InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2","","2019-09-24","2019-12-06","~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide","2019-12-11"],["4L6","4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide","C17 H14 N6 O","Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O;Cc1cc2cn[nH]c2cc1c3cccc4c(N)c(nnc34)C(N)=O;Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N","InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)","","2015-04-07","2015-06-26","4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide","2015-07-01"],["LWR","(3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone","C53 H84 N2 O13","OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=NOCC)/C1)CCC2C;CCON=C1C[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)C[CH](OC)C(=CC=CC=C[CH](C)C[CH](C)C(=O)[CH](OC)[CH](O)C(=C[CH]1C)C)C)[CH](C)C[CH]4CC[CH](O)[CH](C4)OC;CCON=C1CC(OC(=O)C2CCCCN2C(=O)C(=O)C3(C(CCC(O3)CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC1C)C)O)OC)C)C)C)OC)C)O)C(C)CC4CCC(C(C4)OC)O","InChI=1S/C53H84N2O13/c1-12-66-54-41-31-45(35(5)28-39-22-24-43(56)46(29-39)64-10)67-52(61)42-20-16-17-25-55(42)51(60)50(59)53(62)38(8)21-23-40(68-53)30-44(63-9)33(3)19-15-13-14-18-32(2)26-36(6)47(57)49(65-11)48(58)37(7)27-34(41)4/h13-15,18-19,27,32,34-36,38-40,42-46,48-49,56,58,62H,12,16-17,20-26,28-31H2,1-11H3/b15-13+,18-14+,33-19+,37-27+,54-41-/t32-,34-,35-,36-,38-,39+,40+,42+,43-,44+,45+,46-,48-,49+,53-/m1/s1","","2022-03-09","2022-09-16","(3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone","2022-09-21"],["4L7","7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one","C17 H14 Br N3 O2 S","C(=O)(C1C(CNC1)c3cc2N=CNC(=O)c2cc3)c4ccc(Br)s4;Brc1sc(cc1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3;c1cc2c(cc1C3CNCC3C(=O)c4ccc(s4)Br)N=CNC2=O","InChI=1S/C17H14BrN3O2S/c18-15-4-3-14(24-15)16(22)12-7-19-6-11(12)9-1-2-10-13(5-9)20-8-21-17(10)23/h1-5,8,11-12,19H,6-7H2,(H,20,21,23)/t11-,12+/m1/s1","","2015-04-08","2015-11-27","7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one","2015-12-02"],["LWS","7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one","C15 H15 F N2 O","Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2;CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C","InChI=1S/C15H15FN2O/c1-15(2)10-7-9(12-5-4-6-18(12)3)8-11(16)13(10)17-14(15)19/h4-8H,1-3H3,(H,17,19)","","2015-03-09","2015-05-08","7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one","2015-05-13"],["4L8","(2R)-2-(aminomethyl)-4-methylpentanoic acid","C7 H15 N O2","C(C(CN)C(O)=O)C(C)C;CC(C)C[CH](CN)C(O)=O;CC(C)CC(CN)C(=O)O","InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1","","2015-04-08","2024-09-27","(2R)-2-(aminomethyl)-4-methylpentanoic acid","2015-08-26"],["LWT","4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide","C18 H19 Cl N2 O2 S","N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccccc4Cl;c1ccc(c(c1)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N)Cl","InChI=1S/C18H19ClN2O2S/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(24(20,22)23)8-9-17(15)21-18/h1-2,4,7-10,12-13,18,21H,3,5-6H2,(H2,20,22,23)/t12-,13+,18-/m0/s1","","2019-09-25","2020-10-02","(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chlorophenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide","2020-10-07"],["4L9","N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide","C24 H25 F2 N3 O3","CC(C(=O)NC1CC=CC(N(C1=O)C)c2ccccc2)NC(Cc3cc(cc(F)c3)F)=O;C[CH](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[CH]2CC=C[CH](N(C)C2=O)c3ccccc3;CC(C(=O)NC1CC=CC(N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F","InChI=1S/C24H25F2N3O3/c1-15(27-22(30)13-16-11-18(25)14-19(26)12-16)23(31)28-20-9-6-10-21(29(2)24(20)32)17-7-4-3-5-8-17/h3-8,10-12,14-15,20-21H,9,13H2,1-2H3,(H,27,30)(H,28,31)/t15-,20-,21+/m0/s1","","2015-04-08","2016-04-08","N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide","2016-04-13"],["LWU","1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium","C19 H20 N5 O3","OC(O)c1cc(CNNC(=O)C[n+]2ccccc2)nc(n1)c3ccccc3;c1ccc(cc1)c2nc(cc(n2)C(O)O)CNNC(=O)C[n+]3ccccc3","InChI=1S/C19H19N5O3/c25-17(13-24-9-5-2-6-10-24)23-20-12-15-11-16(19(26)27)22-18(21-15)14-7-3-1-4-8-14/h1-11,19-20,26-27H,12-13H2/p+1","~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-yl-ethanehydrazide","2022-07-15","2023-06-09","~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-ium-1-yl-ethanehydrazide","2023-06-14"],["LWV","2-morpholin-4-ylaniline","C10 H14 N2 O","Nc1ccccc1N2CCOCC2;c1ccc(c(c1)N)N2CCOCC2","InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2","","2019-03-15","2020-04-24","2-morpholin-4-ylaniline","2020-04-29"],["4LA","(R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate","C16 H14 B9 N O4","COC(=O)Cc1c(C)n(C(=O)[C+]234[B-]56[B-]78[B+]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58%15[B]36%16[B]%12%14%15[B]4%11%13%16)c%17ccc(OC)cc1%17;B123B45B167B289B31B823B966B744B622C45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C","InChI=1S/C16H14B9NO4/c1-8-10(7-13(27)30-3)11-6-9(29-2)4-5-12(11)26(8)14(28)16-15-17-19-18(16)22(16)20(15,16)21(15,17)23(17,19)24(18,19,22)25(20,21,22)23/h4-6H,7H2,1-3H3","","2015-04-08","2015-06-05","","2015-06-10"],["LWW","N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide","C21 H17 N3 O3 S","O=S(=O)(c1ccccc1)c2ccc(cc2)CNC(=O)c4cc3c(ccnc3)n4;O=C(NCc1ccc(cc1)[S](=O)(=O)c2ccccc2)c3[nH]c4ccncc4c3;c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3","InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25)","","2013-08-19","2013-12-20","N-[4-(phenylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide","2013-12-25"],["4LB","trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid","C16 H20 Cl N O4","c2ccc(c(COC(=O)NCC1CCC(CC1)C(O)=O)c2)Cl;OC(=O)[CH]1CC[CH](CC1)CNC(=O)OCc2ccccc2Cl;c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl","InChI=1S/C16H20ClNO4/c17-14-4-2-1-3-13(14)10-22-16(21)18-9-11-5-7-12(8-6-11)15(19)20/h1-4,11-12H,5-10H2,(H,18,21)(H,19,20)/t11-,12-","","2015-04-09","2016-04-29","trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid","2016-05-04"],["LWX","6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one","C30 H33 Br N6 O2","CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C(=O)N(C[CH]5CCCO5)c4n3)c6ccccc6Br)cc2C;Cc1cc(ccc1N2CCN(CC2)C)Nc3ncc4c(n3)N(C(=O)C(=C4)c5ccccc5Br)CC6CCCO6","InChI=1S/C30H33BrN6O2/c1-20-16-22(9-10-27(20)36-13-11-35(2)12-14-36)33-30-32-18-21-17-25(24-7-3-4-8-26(24)31)29(38)37(28(21)34-30)19-23-6-5-15-39-23/h3-4,7-10,16-18,23H,5-6,11-15,19H2,1-2H3,(H,32,33,34)/t23-/m0/s1","","2022-12-16","2023-12-08","6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2~{S})-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one","2023-12-13"],["4LC","3-(6-{[(2S,3S)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1H-benzimidazol-2-yl)-1H-indole-6-carbonitrile","C29 H25 N5 O3","c2(ccc1nc(n(C)c1c2)c3cnc4c3ccc(c4)C#N)C(N6CCOC(c5ccccc5)C6CO)=O;Cn1c2cc(ccc2nc1c3c[nH]c4cc(ccc34)C#N)C(=O)N5CCO[CH]([CH]5CO)c6ccccc6;Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCOC(C5CO)c6ccccc6","InChI=1S/C29H25N5O3/c1-33-25-14-20(29(36)34-11-12-37-27(26(34)17-35)19-5-3-2-4-6-19)8-10-23(25)32-28(33)22-16-31-24-13-18(15-30)7-9-21(22)24/h2-10,13-14,16,26-27,31,35H,11-12,17H2,1H3/t26-,27-/m0/s1","","2015-04-10","2015-06-12","3-(6-{[(2S,3S)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1H-benzimidazol-2-yl)-1H-indole-6-carbonitrile","2015-06-17"],["4LD","1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole","C24 H23 N5 O2","COc4cc2c1c(nccc1nc2cc4c3c(C)onc3C)c5c(nnc5C6CC6)C;COc1cc2c([nH]c3ccnc(c4c(C)[nH]nc4C5CC5)c23)cc1c6c(C)onc6C;Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC","InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)","","2015-04-10","2015-06-26","1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole","2015-07-01"],["LWY","1-[(R)-hydroxy(methyl)phosphoryl]-L-proline","C6 H12 N O4 P","C[P](O)(=O)N1CCC[CH]1C(O)=O;CP(=O)(N1CCCC1C(=O)O)O","InChI=1S/C6H12NO4P/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1","","2010-02-26","2011-06-04","(2S)-1-[hydroxy(methyl)phosphoryl]pyrrolidine-2-carboxylic acid",""],["4LE","(2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane","C3 H2 Cl F5 O","(1R)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether;FC(F)O[CH](Cl)C(F)(F)F;C(C(F)(F)F)(OC(F)F)Cl","InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1","","2015-04-10","2015-09-11","(2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane","2015-09-16"],["LWZ","3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide","C6 H10 N4 O S2","SC(S)CC(=O)NCc1c[nH]nn1;c1c(nn[nH]1)CNC(=O)CC(S)S","InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)","","2019-09-25","2024-09-27","3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide","2020-08-05"],["LX0","4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine","C24 H24 N6 O2","O=C(O)C(N)Cc4ccc(c1nc(nc(n1)NC(c3cc2ccccc2cc3)C)N)cc4;C[CH](Nc1nc(N)nc(n1)c2ccc(C[CH](N)C(O)=O)cc2)c3ccc4ccccc4c3;CC(c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)CC(C(=O)O)N","InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1","","2009-05-13","2011-06-04","4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine",""],["4LF","N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide","C13 H12 N2 O5","Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O","InChI=1S/C13H12N2O5/c16-9-3-1-2-8(12(9)19)13(20)14-6-7-15-10(17)4-5-11(15)18/h1-5,16,19H,6-7H2,(H,14,20)","","2015-08-06","2024-09-27","N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide","2015-11-18"],["4LG","METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE","C33 H37 N3 O7","O=C(OC)Cn5ccc4ccc(OCC1N(C(=O)CNC1)c3ccc(OCCCOCc2ccccc2OC)cc3)cc45;COC(=O)Cn1ccc2ccc(OC[CH]3CNCC(=O)N3c4ccc(OCCCOCc5ccccc5OC)cc4)cc12;COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC","InChI=1S/C33H37N3O7/c1-39-31-7-4-3-6-25(31)22-41-16-5-17-42-28-12-9-26(10-13-28)36-27(19-34-20-32(36)37)23-43-29-11-8-24-14-15-35(30(24)18-29)21-33(38)40-2/h3-4,6-15,18,27,34H,5,16-17,19-23H2,1-2H3/t27-/m1/s1","","2006-02-27","2011-06-04","methyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate",""],["LX1","L-XYLULOSE 5-PHOSPHATE","C5 H13 O7 P","O=P(O)(O)OCC(O)C(O)C(O)C;C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C5H13O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4+,5+/m1/s1","","2003-08-19","2011-06-04","5-deoxy-1-O-phosphono-D-xylitol",""],["4LH","N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide","C26 H30 Cl N7 O2","c3(Nc1c(OC)cc(cc1)N2CCN(C)CC2)ncc(c(n3)NCc4cc(NC(/C=C)=O)ccc4)Cl;COc1cc(ccc1Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl","InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)","","2015-04-10","2024-09-27","N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide","2016-02-10"],["LX2","[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid","C35 H32 Cl F3 N2 O3","FC(F)(F)c1cccc(c1Cl)CN(CC(c2ccccc2)c3ccccc3)CCCOc4cccc5c4ccn5CC(=O)O;OC(=O)Cn1ccc2c(OCCCN(CC(c3ccccc3)c4ccccc4)Cc5cccc(c5Cl)C(F)(F)F)cccc12;c1ccc(cc1)C(CN(CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5","InChI=1S/C35H32ClF3N2O3/c36-34-27(14-7-15-30(34)35(37,38)39)22-40(23-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26)19-9-21-44-32-17-8-16-31-28(32)18-20-41(31)24-33(42)43/h1-8,10-18,20,29H,9,19,21-24H2,(H,42,43)","","2008-11-24","2011-06-04","[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid",""],["4LI","(4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide","C27 H32 Cl N9 O2 S","Clc1ccccc1N5CCN(c2nc(nc(n2)N3C(C(=O)NC)CSC3)Nc4c(cccc4C(=O)NC)C)CC5;CNC(=O)[CH]1CSCN1c2nc(Nc3c(C)cccc3C(=O)NC)nc(n2)N4CCN(CC4)c5ccccc5Cl;Cc1cccc(c1Nc2nc(nc(n2)N3CSCC3C(=O)NC)N4CCN(CC4)c5ccccc5Cl)C(=O)NC","InChI=1S/C27H32ClN9O2S/c1-17-7-6-8-18(23(38)29-2)22(17)31-25-32-26(34-27(33-25)37-16-40-15-21(37)24(39)30-3)36-13-11-35(12-14-36)20-10-5-4-9-19(20)28/h4-10,21H,11-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,32,33,34)/t21-/m0/s1","","2011-07-13","2011-07-22","(4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide",""],["LX3","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol","C28 H42 O3","CCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2;CCCCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C)(C)O","InChI=1S/C28H42O3/c1-5-6-13-23(15-16-24-19-26(29)20-27(30)21(24)2)25-14-10-12-22(18-25)11-8-7-9-17-28(3,4)31/h10,12,14-16,18,26-27,29-31H,2,5-9,11,13,17,19-20H2,1,3-4H3/b23-15+,24-16-/t26-,27+/m1/s1","","2018-02-06","2018-05-11","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol","2018-05-16"],["LX4","4-cyclopentylcarbonylpiperazin-2-one","C10 H16 N2 O2","O=C1CN(CCN1)C(=O)C2CCCC2;C1CCC(C1)C(=O)N2CCNC(=O)C2","InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)","","2019-03-15","2020-04-24","4-cyclopentylcarbonylpiperazin-2-one","2020-04-29"],["4LJ","1.7.6 3-bromanylpropan-1-amine ","C3 H8 Br N","NCCCBr;C(CN)CBr","InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2","","2015-04-10","2024-09-27","3-bromanylpropan-1-amine","2015-09-16"],["4LK","3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one","C23 H18 F N5 O4","COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O;COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O","InChI=1S/C23H18FN5O4/c1-32-20-14-28(18-8-7-16(13-17(18)24)27-11-12-33-23(27)31)26-21(22(20)30)19-9-10-25-29(19)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3","","2015-08-07","2015-11-06","3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one","2015-11-11"],["LX5","[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate","C6 H12 O7 S","OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O;C1C(C(C(C1OS(=O)(=O)O)CO)O)O","InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1","","2019-09-26","2024-09-27","[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate","2020-02-26"],["4LL","2-(butylamino)quinolin-8-ol","C13 H16 N2 O","CCCCNc1ccc2cccc(O)c2n1;CCCCNc1ccc2cccc(c2n1)O","InChI=1S/C13H16N2O/c1-2-3-9-14-12-8-7-10-5-4-6-11(16)13(10)15-12/h4-8,16H,2-3,9H2,1H3,(H,14,15)","","2009-11-20","2012-08-31","2-(butylamino)quinolin-8-ol","2012-08-31"],["LX6","2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","C9 H10 N2 S","N#Cc1c2CCCCc2sc1N;Nc1sc2CCCCc2c1C#N;C1CCc2c(c(c(s2)N)C#N)C1","InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2","","2022-03-09","2022-11-04","2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","2022-11-09"],["4LM","(2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid","C12 H15 N2 O7 P","O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C/C)C(=O)O)C;CC=C(N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CC=C(C(=O)O)N=Cc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-5,15H,6H2,1-2H3,(H,16,17)(H2,18,19,20)/b10-3+,14-5+","","2010-03-03","2011-06-04","(2E)-2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid",""],["LX7","1-[4-(trifluoromethyloxy)phenyl]thiourea","C8 H7 F3 N2 O S","NC(=S)Nc1ccc(OC(F)(F)F)cc1;c1cc(ccc1NC(=S)N)OC(F)(F)F","InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)","","2019-03-15","2020-04-24","1-[4-(trifluoromethyloxy)phenyl]thiourea","2020-04-29"],["4LN","N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide","C22 H22 N6 O2","O=C(NC2(Cc1c3n(nc1CC2)c(ccc3O)C)C)c5ccc(n4cnnc4)cc5;Cc1ccc(O)c2n1nc3CC[C](C)(Cc23)NC(=O)c4ccc(cc4)n5cnnc5;Cc1ccc(c2n1nc3c2CC(CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O","InChI=1S/C22H22N6O2/c1-14-3-8-19(29)20-17-11-22(2,10-9-18(17)26-28(14)20)25-21(30)15-4-6-16(7-5-15)27-12-23-24-13-27/h3-8,12-13,29H,9-11H2,1-2H3,(H,25,30)/t22-/m1/s1","","2015-04-10","2015-05-15","N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide","2015-05-20"],["LX8","2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate","C21 H24 O5","O=C(OC(C)(C)C3Oc2cc1OC(=O)C(=Cc1cc2C3)C(/C=C)(C)C)C;CC(=O)OC(C)(C)[CH]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C;CC(=O)OC(C)(C)C1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C","InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1","","2010-11-11","2011-11-11","2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate",""],["LX9","6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one","C26 H21 N5 O","Nc1nn(cc1c2ccc3C(=O)NCCc3c2)c4cccc(c4)c5ccc6cc[nH]c6c5;c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5","InChI=1S/C26H21N5O/c27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18/h1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32)","","2009-11-04","2011-06-04","6-[3-azanyl-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one",""],["4LO","N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine","C30 H39 N7 O3 S","CC(C)Oc1c(cc(C)c(c1)C2CCN(C)CC2)Nc5nc(Nc3c(cccc3)S(=O)(=O)C(C)C)c4cnnc4n5;CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc3nc(Nc4ccccc4[S](=O)(=O)C(C)C)c5c[nH]nc5n3;Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C","InChI=1S/C30H39N7O3S/c1-18(2)40-26-16-22(21-11-13-37(6)14-12-21)20(5)15-25(26)33-30-34-28(23-17-31-36-29(23)35-30)32-24-9-7-8-10-27(24)41(38,39)19(3)4/h7-10,15-19,21H,11-14H2,1-6H3,(H3,31,32,33,34,35,36)","","2015-04-12","2016-01-29","N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine","2016-02-03"],["4LP","1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one","C28 H26 F N5 O3","COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc5N(CC6CC6)C(=O)C(C)(C)c5c4F;CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C","InChI=1S/C28H26FN5O3/c1-28(2)23-19(32(27(28)36)15-17-9-10-17)11-12-20(24(23)29)33-16-22(37-3)26(35)25(31-33)21-13-14-30-34(21)18-7-5-4-6-8-18/h4-8,11-14,16-17H,9-10,15H2,1-3H3","","2015-08-07","2015-11-06","1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one","2015-11-11"],["LXA","~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide","C11 H13 N3 O2","COCC(=O)NCc1[nH]c2ccccc2n1;COCC(=O)NCc1[nH]c2ccccc2n1","InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)","","2019-03-15","2020-04-24","~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide","2020-04-29"],["LXB","2-acetamido-2-deoxy-beta-D-gulopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7+,8-/m1/s1","N-acetyl-beta-D-gulosamine; 2-acetamido-2-deoxy-beta-D-gulose; 2-acetamido-2-deoxy-D-gulose;\n2-acetamido-2-deoxy-gulose; 2-(acetylamino)-2-deoxy-beta-D-gulopyranose","2008-07-23","2024-09-27","2-(acetylamino)-2-deoxy-beta-D-gulopyranose",""],["4LQ","3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide","C25 H32 N4 O","CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc3cccc4ccccc34;CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4","InChI=1S/C25H32N4O/c1-2-29-23(16-15-19-9-4-3-5-10-19)27-28-24(29)17-18-25(30)26-22-14-8-12-20-11-6-7-13-21(20)22/h6-8,11-14,19H,2-5,9-10,15-18H2,1H3,(H,26,30)","","2015-08-25","2016-02-26","3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide","2016-03-02"],["4LR","Dimethylallyl monophosphate","C5 H11 O4 P","OP(OCC=C(C)C)(O)=O;CC(C)=CCO[P](O)(O)=O;CC(=CCOP(=O)(O)O)C","InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)","","2015-04-13","2015-06-12","3-methylbut-2-en-1-yl dihydrogen phosphate","2015-06-17"],["LXC","beta-L-xylopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m0/s1","beta-L-xylose; L-xylose; xylose; L-XYLOSE (CYCLIC FORM)","2002-03-13","2020-07-17","beta-L-xylopyranose",""],["4LS","1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono\n-D-ribitol","C22 H31 N4 O9 P","C=12N(c3c(N(CC(C(C(COP(=O)(O)O)O)O)O)C=1NC(=O)NC2=O)cc(C)c(C)c3)CC=C(/C)C;CC(C)=CCN1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C1C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1","dimethylallyl FMN","2015-04-14","2020-06-17","1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","2015-06-17"],["LXD","(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","C30 H37 N9 O2 S","C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O)C=C;CC1CN(CCN1c2cc(cc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C)N6CCN(CC6)C(=O)C=C)C","InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1","","2022-07-18","2024-09-27","(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2022-11-09"],["4LT","(2R)-2-fluoropropanoic acid","C3 H5 F O2","C(C(C)F)(O)=O;C[CH](F)C(O)=O;CC(C(=O)O)F","InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1","","2015-12-29","2024-09-27","(2R)-2-fluoropropanoic acid","2016-11-02"],["LXE","[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium","C6 H14 N O3","[NH3+][CH]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C(C1O)O)CO)[NH3+]","InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/p+1/t3-,4+,5+,6+/m1/s1","","2019-09-27","2024-09-27","[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium","2020-02-26"],["4LU","1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y\nl)-D-ribitol","C22 H30 N4 O9 P","c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(C(=O)NC(=O)N3)[N+]4=CCC(C)(C)c(c1C)c24;Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C","InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1","prenylated-FMN iminium form","2015-04-14","2020-06-17","1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol","2015-06-17"],["LXF","N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide","C17 H17 N3 O3 S2","O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O;CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3ccccc3;CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCCc3ccccc3","InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21)","","2023-08-15","2024-09-27","N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide","2023-11-08"],["LXG","8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one","C18 H19 N3 O S","O=C2NC(=Nc1c4c(sc12)ccc(/C=C/C3CC3)c4)CN(C)C;CN(C)CC1=Nc2c(sc3ccc(C=CC4CC4)cc23)C(=O)N1;CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)C=CC4CC4","InChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+","","2009-09-22","2011-06-04","8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one",""],["4LV","(2E)-2-methyl-3-phenylprop-2-enoic acid","C10 H10 O2","C/C(C(O)=O)=Cc1ccccc1;CC(=Cc1ccccc1)C(O)=O;CC(=Cc1ccccc1)C(=O)O","InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+","","2015-04-14","2015-06-12","(2E)-2-methyl-3-phenylprop-2-enoic acid","2015-06-17"],["LXH","methyl (2~{S})-2-phenylpropanoate","C10 H12 O2","COC(=O)[CH](C)c1ccccc1;CC(c1ccccc1)C(=O)OC","InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1","","2019-09-27","2021-04-02","methyl (2~{S})-2-phenylpropanoate","2021-04-07"],["4LW","(2Z)-2-fluoro-3-phenylprop-2-enoic acid","C9 H7 F O2","FC(=C/c1ccccc1)C(O)=O;OC(=O)C(F)=Cc1ccccc1;c1ccc(cc1)C=C(C(=O)O)F","InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-","","2015-04-14","2015-06-12","(2Z)-2-fluoro-3-phenylprop-2-enoic acid","2015-06-17"],["4LX","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide","C50 H99 N O8 S","C(C(C(O)C(CCCCCCCCCCCCCC)O)NC(=S)CCCCCCCCCCCCCCCCCCCCCCCCC)OC1OC(CO)C(O)C(C1O)O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C50H99NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(60)51-42(41-58-50-49(57)48(56)47(55)44(40-52)59-50)46(54)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-57H,3-41H2,1-2H3,(H,51,60)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1","","2015-04-14","2015-06-26","N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide","2015-07-01"],["LXI","5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine","C13 H17 N8 O6 P S","Nc1nccn1P(=O)(S)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](S)(=O)n4ccnc4N)[CH](O)[CH]3O;c1cn(c(n1)N)P(=O)(OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)S","InChI=1S/C13H17N8O6PS/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(27-11)3-26-28(25,29)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,29)(H3,14,18,19,24)/t5-,7-,8-,11-,28-/m1/s1","","2022-03-09","2023-03-10","5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine","2023-03-15"],["LXJ","(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one","C15 H16 N2 O2","O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3;c1ccc(cc1)C(=O)N2CCC3C(CNC3=O)C=C2","InChI=1S/C15H16N2O2/c18-14-13-7-9-17(8-6-12(13)10-16-14)15(19)11-4-2-1-3-5-11/h1-6,8,12-13H,7,9-10H2,(H,16,18)/t12-,13+/m1/s1","","2019-03-15","2020-04-24","(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one","2020-04-29"],["4LY","[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile","C28 H29 F2 N9 O2 S","O=S(=O)(CC)N1CC(C1)(CC#N)n1ncc(c1)c1nc(Nc2cc(F)c(C3=CCN(C)CC3)c(F)c2)nc2[NH]ccc21;CC[S](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4cc(F)c(c(F)c4)C5=CCN(C)CC5)nc6[nH]ccc36;CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F","InChI=1S/C28H29F2N9O2S/c1-3-42(40,41)38-16-28(17-38,7-8-31)39-15-19(14-33-39)25-21-4-9-32-26(21)36-27(35-25)34-20-12-22(29)24(23(30)13-20)18-5-10-37(2)11-6-18/h4-5,9,12-15H,3,6-7,10-11,16-17H2,1-2H3,(H2,32,34,35,36)","","2021-07-13","2021-08-27","[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile","2021-09-01"],["4LZ","O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine","C11 H15 N4 O3","C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O;N[CH](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OCCN=[N+]=N","InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1","","2015-04-14","2024-09-27","O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine","2015-05-06"],["LXK","2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","C11 H14 N2 S","CC1(C)CCCc2sc(N)c(C#N)c12;CC1(CCCc2c1c(c(s2)N)C#N)C","InChI=1S/C11H14N2S/c1-11(2)5-3-4-8-9(11)7(6-12)10(13)14-8/h3-5,13H2,1-2H3","","2022-07-18","2022-11-04","2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2022-11-09"],["4M0","2-azanyl-4-methyl-benzoic acid","C8 H9 N O2","O=C(O)c1ccc(cc1N)C;Cc1ccc(c(N)c1)C(O)=O;Cc1ccc(c(c1)N)C(=O)O","InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)","4-methylanthranilate","2014-02-06","2021-03-01","2-amino-4-methylbenzoic acid","2014-04-23"],["LXL","1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea","C24 H30 N6 O2","CCNC(=O)Nc1ccc(cc1OC)c2ncc(C)c(n2)NC(CCC)c3cnccc3;CCC[CH](Nc1nc(ncc1C)c2ccc(NC(=O)NCC)c(OC)c2)c3cccnc3;CCCC(c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C","InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1","Lexibulin","2015-08-28","2021-03-01","1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea","2015-11-04"],["4M1","2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide","C26 H22 Cl2 N6 O","c1ccc(cc1)C(c3nc2cc(c(cc2n3)C)C)CNC(c4c(cc(cc4Cl)n5cnnc5)Cl)=O;Cc1cc2[nH]c(nc2cc1C)[CH](CNC(=O)c3c(Cl)cc(cc3Cl)n4cnnc4)c5ccccc5;Cc1cc2c(cc1C)nc([nH]2)C(CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5","InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/m0/s1","","2015-04-14","2015-05-29","2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide","2015-06-03"],["LXM","[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone","C18 H17 N O3","OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4;c1ccc(cc1)C(=O)N2CC(C3C2c4ccccc4O3)CO","InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1","","2019-03-15","2020-04-24","[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone","2020-04-29"],["4M2","3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine","C37 H50 N6 O14","c12ncnc(c1ncn2C6C(C(NC(C(=[C@H]c5ccc(OC4OC(=C(/COC3C(C(OC)C(C(O3)C)OC)O)OC)/C(O)C4O)cc5)C)=O)C(O6)CO)O)N(C)C;CO[CH]1[CH](C)O[CH](OCC(OC)=C2O[CH](Oc3ccc(cc3)C=C(C)C(=O)N[CH]4[CH](O)[CH](O[CH]4CO)n5cnc6c(ncnc56)N(C)C)[CH](O)[CH]2O)[CH](O)[CH]1OC;CC1C(C(C(C(O1)OCC(=C2C(C(C(O2)Oc3ccc(cc3)C=C(C)C(=O)NC4C(OC(C4O)n5cnc6c5ncnc6N(C)C)CO)O)O)OC)O)OC)OC","InChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-/t18-,21-,23-,25-,26+,27+,28+,29-,31-,35-,36+,37+/m1/s1","A201A","2015-04-14","2021-03-01","3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine","2015-06-03"],["LXN","ALLOXAN","C4 H2 N2 O4","O=C1C(=O)NC(=O)NC1=O;O=C1NC(=O)C(=O)C(=O)N1;C1(=O)C(=O)NC(=O)NC1=O","InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)","MESOXALYLUREA","2010-06-07","2020-06-17","pyrimidine-2,4,5,6(1H,3H)-tetrone",""],["4M3","N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine","C23 H25 N5 O7","c1cc(ccc1C(NCCC(NC(C(NC(c2ccccc2)C(O)=O)=O)CC(O)=O)=O)=O)/C(N)=N;NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[CH](CC(O)=O)C(=O)N[CH](C(O)=O)c2ccccc2;c1ccc(cc1)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)c2ccc(cc2)C(=N)N","InChI=1S/C23H25N5O7/c24-20(25)14-6-8-15(9-7-14)21(32)26-11-10-17(29)27-16(12-18(30)31)22(33)28-19(23(34)35)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H3,24,25)(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)/t16-,19-/m0/s1","","2015-04-14","2020-06-01","N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine","2015-12-16"],["LXO","4-(pyridin-4-ylamino)butanoic acid","C9 H12 N2 O2","OC(=O)CCCNc1ccncc1;c1cnccc1NCCCC(=O)O","InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)","","2022-12-16","2024-09-27","4-(pyridin-4-ylamino)butanoic acid","2023-12-13"],["4M4","2-Methoxy-4-vinylphenol","C9 H10 O2","c1(O)c(OC)cc(cc1)C=C;COc1cc(C=C)ccc1O;COc1cc(ccc1O)C=C","InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3","4-vinyl guaiacol","2015-04-15","2020-06-17","4-ethenyl-2-methoxyphenol","2015-06-17"],["LXP","L-XYLITOL 5-PHOSPHATE","C5 H13 O8 P","O=P(O)(O)OCC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)O)O)O)O)O","InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1","","2003-08-19","2011-06-04","1-O-phosphono-D-xylitol",""],["4M5","(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid","C22 H32 O3","CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(O)=O;CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(=O)O","InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-15H,2,4,9-10,16-20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-","","2015-10-27","2024-09-27","(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid","2016-07-06"],["LXQ","(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid","C7 H11 N O3","CC(=O)N1CC[CH](C1)C(O)=O;CC(=O)N1CCC(C1)C(=O)O","InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1","","2019-09-27","2020-07-24","(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid","2020-07-29"],["LXR","5'-O-[(S)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]adenosine","C13 H17 N8 O6 P","Nc1nccn1P(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1nccn1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C13H17N8O6P/c14-10-7-11(18-4-17-10)20(5-19-7)12-9(23)8(22)6(27-12)3-26-28(24,25)21-2-1-16-13(21)15/h1-2,4-6,8-9,12,22-23H,3H2,(H2,15,16)(H,24,25)(H2,14,17,18)/t6-,8-,9-,12-/m1/s1","","2022-03-09","2023-03-10","5'-O-[(S)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]adenosine","2023-03-15"],["4M6","1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid","C25 H23 N O3","OC(c3n1CCCc2c1c(ccc2)c3CCCOc5c4ccccc4ccc5)=O;OC(=O)c1n2CCCc3cccc(c1CCCOc4cccc5ccccc45)c23;c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5","InChI=1S/C25H23NO3/c27-25(28)24-21(20-12-3-9-18-10-5-15-26(24)23(18)20)13-6-16-29-22-14-4-8-17-7-1-2-11-19(17)22/h1-4,7-9,11-12,14H,5-6,10,13,15-16H2,(H,27,28)","","2015-04-15","2015-04-24","1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid","2015-04-29"],["LXS","3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione","C15 H16 N2 O4","CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O;CCN1C(=O)CN(C1=O)C2C3c4ccccc4C(C2O)O3","InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1","","2019-03-15","2020-04-24","3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione","2020-04-29"],["4M7","(1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide","C25 H23 N O4 S","OC(c1c(c3c2n1CCCS(=O)c2ccc3)CCCOc4cccc5c4cccc5)=O;OC(=O)c1n2CCC[S](=O)c3cccc(c1CCCOc4cccc5ccccc45)c23;c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O","InChI=1S/C25H23NO4S/c27-25(28)24-20(19-10-4-13-22-23(19)26(24)14-6-16-31(22)29)11-5-15-30-21-12-3-8-17-7-1-2-9-18(17)21/h1-4,7-10,12-13H,5-6,11,14-16H2,(H,27,28)/t31-/m1/s1","","2015-04-15","2015-04-24","(1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide","2015-04-29"],["LXT","(2S)-2-amino-N-[(1S)-1-({(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide","C38 H44 N4 O3","O=C(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C)CCc2ccccc2)CCc3ccccc3)C(N)CCc4ccccc4;Cc1ccc(CNC(=O)[CH](CCc2ccccc2)NC(=O)[CH](CCc3ccccc3)NC(=O)[CH](N)CCc4ccccc4)cc1;Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C(CCc3ccccc3)NC(=O)C(CCc4ccccc4)N","InChI=1S/C38H44N4O3/c1-28-17-19-32(20-18-28)27-40-37(44)34(25-22-30-13-7-3-8-14-30)42-38(45)35(26-23-31-15-9-4-10-16-31)41-36(43)33(39)24-21-29-11-5-2-6-12-29/h2-20,33-35H,21-27,39H2,1H3,(H,40,44)(H,41,43)(H,42,45)/t33-,34-,35-/m0/s1","","2010-10-19","2011-06-04","(2S)-2-amino-N-[(2S)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxo-4-phenylbutan-2-yl]-4-phenylbutanamide",""],["4M8","(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid","C5 H12 N O5 P","O=P(CCC(C(O)=O)N)(O)OC;CO[P](O)(=O)CC[CH](N)C(O)=O;COP(=O)(CCC(C(=O)O)N)O","InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1","","2015-04-15","2024-09-27","(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid","2015-06-03"],["4M9","(4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide","C18 H17 N5 O4","O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23;NC(=O)CCC(=N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O;c1ccc2c(c1)c(c[nH]2)C=C3C(=O)N(C(=N3)C(=N)CCC(=O)N)CC(=O)O","InChI=1S/C18H17N5O4/c19-12(5-6-15(20)24)17-22-14(18(27)23(17)9-16(25)26)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,7-8,19,21H,5-6,9H2,(H2,20,24)(H,25,26)/b14-7-,19-12+","CHROMOPHORE (GLN-TRP-GLY)","2015-04-15","2024-09-27","(4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide","2015-12-23"],["LXU","(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","C18 H17 N5 O S","C[C]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4ccc(N)cc4;CC1(CCCc2c1c(c(s2)N)C#N)c3nc(no3)c4ccc(cc4)N","InChI=1S/C18H17N5OS/c1-18(8-2-3-13-14(18)12(9-19)15(21)25-13)17-22-16(23-24-17)10-4-6-11(20)7-5-10/h4-7H,2-3,8,20-21H2,1H3/t18-/m0/s1","","2022-07-18","2022-11-04","(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2022-11-09"],["4MA","4-METHYLBENZOIC ACID","C8 H8 O2","O=C(O)c1ccc(cc1)C;Cc1ccc(cc1)C(O)=O;Cc1ccc(cc1)C(=O)O","InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)","P-METHYLBENZOIC ACID","2006-07-26","2024-09-27","4-methylbenzoic acid",""],["LXV","2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide","C12 H15 Br2 N3 O2 S","Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C;C[CH]1C[CH](CN1C=N)N[S](=O)(=O)c2cc(Br)ccc2Br;CC1CC(CN1C=N)NS(=O)(=O)c2cc(ccc2Br)Br","InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1","","2010-11-02","2024-09-27","2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide",""],["4MB","4-[(METHYLSULFONYL)AMINO]BENZOIC ACID","C8 H9 N O4 S","O=S(=O)(Nc1ccc(cc1)C(=O)O)C;C[S](=O)(=O)Nc1ccc(cc1)C(O)=O;CS(=O)(=O)Nc1ccc(cc1)C(=O)O","InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)","","2006-06-21","2011-06-04","4-[(methylsulfonyl)amino]benzoic acid",""],["LXW","(2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide","C26 H28 N4 O2","N[CH](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[CH]3C(=O)NCc4ccncc4;c1ccc(cc1)C(c2ccccc2)C(C(=O)N3CCCC3C(=O)NCc4ccncc4)N","InChI=1S/C26H28N4O2/c27-24(23(20-8-3-1-4-9-20)21-10-5-2-6-11-21)26(32)30-17-7-12-22(30)25(31)29-18-19-13-15-28-16-14-19/h1-6,8-11,13-16,22-24H,7,12,17-18,27H2,(H,29,31)/t22-,24+/m0/s1","","2019-09-27","2020-05-08","(2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide","2020-05-13"],["4MC","(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID\nE","C29 H41 N7 O4 S","O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCNC(=[N@H])N;CN1CCN(CC1)C(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](CCc2ccccc2)C=C[S](=O)(=O)c3ccccc3;[H]N=C(N)NCCCC(C(=O)NC(CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C","InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1","4-METHYL-PIPERAZINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PHENETHYLALLYLCARBAMOYL)-4-GUANIDINO-BUTYL]-AMIDE","2007-03-21","2024-09-27","N~2~-[(4-methylpiperazin-1-yl)carbonyl]-N-[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-L-argininamide",""],["LXX","6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline","C20 H13 N5","[nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc5)c4c3;c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5","InChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25)","","2010-01-08","2011-06-04","6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-yl-quinoline",""],["LXY","(4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide","C24 H19 F8 N5 O3 S","CC3N(C(C(NCc2cc(c1cnc(C(F)(F)F)nc1)ncc2C(F)(F)F)=O)CC3F)S(c4ccc(cc4)F)(=O)=O;C[CH]1[CH](F)C[CH](N1[S](=O)(=O)c2ccc(F)cc2)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F;CC1C(CC(N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F","InChI=1S/C24H19F8N5O3S/c1-12-18(26)7-20(37(12)41(39,40)16-4-2-15(25)3-5-16)21(38)34-8-13-6-19(33-11-17(13)23(27,28)29)14-9-35-22(36-10-14)24(30,31)32/h2-6,9-12,18,20H,7-8H2,1H3,(H,34,38)/t12-,18+,20-/m0/s1","","2020-04-13","2021-02-12","(4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide","2021-02-17"],["4MD","N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide","C14 H15 Cl N2 O4 S2","Clc1ccc(cc1)CN(C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N;CN(Cc1ccc(Cl)cc1)[S](=O)(=O)c2ccc(cc2)[S](N)(=O)=O;CN(Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)","","2008-06-03","2011-06-04","N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide",""],["4ME","methyl 1H-indole-4-carboxylate","C10 H9 N O2","O=C(OC)c1cccc2c1ccn2;COC(=O)c1cccc2[nH]ccc12;COC(=O)c1cccc2c1cc[nH]2","InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3","","2012-07-20","2014-09-05","methyl 1H-indole-4-carboxylate","2013-02-01"],["LXZ","2-acetamido-2-deoxy-alpha-D-idopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m1/s1","N-acetyl-alpha-D-idosamine; 2-acetamido-2-deoxy-alpha-D-idose; 2-acetamido-2-deoxy-D-idose; 2-acetamido-2-deoxy-idose;\n2-(acetylamino)-2-deoxy-alpha-D-idopyranose","2008-07-09","2024-09-27","2-(acetylamino)-2-deoxy-alpha-D-idopyranose",""],["4MF","1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE","C14 H18 N O6 P","O=P(O)(O)OCC3OC(n2ccc1c(cccc12)C)CC3O;Cc1cccc2n(ccc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;Cc1cccc2c1ccn2C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C14H18NO6P/c1-9-3-2-4-11-10(9)5-6-15(11)14-7-12(16)13(21-14)8-20-22(17,18)19/h2-6,12-14,16H,7-8H2,1H3,(H2,17,18,19)/t12-,13+,14+/m0/s1","","2007-03-16","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-indole",""],["LY0","(2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid","C6 H14 N O4 P","C[CH](N)[P](O)(=O)C[CH](C)C(O)=O;CC(CP(=O)(C(C)N)O)C(=O)O","InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1","","2010-02-26","2011-06-04","(2R)-3-[[(1R)-1-azanylethyl]-hydroxy-phosphoryl]-2-methyl-propanoic acid",""],["4MG","1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol","C23 H27 N7 O","n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc5cc4c(c(n(c4cc5)C)C)C;Cn1c(C)c(C)c2cc(Nc3nccc(n3)n4cc(CN5CC(O)C5)c(C)n4)ccc12;Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C","InChI=1S/C23H27N7O/c1-14-16(3)28(4)21-6-5-18(9-20(14)21)25-23-24-8-7-22(26-23)30-11-17(15(2)27-30)10-29-12-19(31)13-29/h5-9,11,19,31H,10,12-13H2,1-4H3,(H,24,25,26)","","2014-11-18","2015-10-16","1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol","2015-10-21"],["LY1","8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE","C10 H11 Cl2 N","Clc1c2c(ccc1Cl)CCCNC2;Clc1ccc2CCCNCc2c1Cl;c1cc(c(c2c1CCCNC2)Cl)Cl","InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2","","2002-11-26","2011-06-04","8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine",""],["4MH","2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide","C22 H32 N6 O4 S","O=S(=O)(N)c1ccc(cc1)CNC(=O)c2cnc(nc2NC3CCC(O)CC3)NCCCC;CCCCNc1ncc(C(=O)NCc2ccc(cc2)[S](N)(=O)=O)c(N[CH]3CC[CH](O)CC3)n1;CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C22H32N6O4S/c1-2-3-12-24-22-26-14-19(20(28-22)27-16-6-8-17(29)9-7-16)21(30)25-13-15-4-10-18(11-5-15)33(23,31)32/h4-5,10-11,14,16-17,29H,2-3,6-9,12-13H2,1H3,(H,25,30)(H2,23,31,32)(H2,24,26,27,28)/t16-,17-","","2013-09-10","2014-05-16","2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide","2014-05-21"],["LY2","2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE","C19 H17 N O3","O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4;O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4;c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4","InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2","2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE","2000-09-11","2020-06-17","2-morpholin-4-yl-8-phenyl-4H-chromen-4-one",""],["4MI","4-methylsulfanylbenzoic acid","C8 H8 O2 S","CSc1ccc(cc1)C(O)=O;CSc1ccc(cc1)C(=O)O","InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)","","2016-07-11","2018-01-12","4-methylsulfanylbenzoic acid","2018-01-17"],["LY3","2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID","C20 H21 N9 O4","O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCc4nnnn4;NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[CH](CCc4n[nH]nn4)C(O)=O)c2C(=O)N1;c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)NC(CCc4n[nH]nn4)C(=O)O","InChI=1S/C20H21N9O4/c21-20-24-16-15(18(31)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(30)23-13(19(32)33)7-8-14-26-28-29-27-14/h1-2,4-5,9,13H,3,6-8H2,(H,23,30)(H,32,33)(H,26,27,28,29)(H4,21,22,24,25,31)/t13-/m0/s1","LY341770","2001-08-24","2021-03-01","(2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid",""],["LY4","(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA\nZACYCLOHEXADECINE-18,20-DIONE","C28 H28 N4 O3","O=C6NC(=O)C=5c1cn(c2ccccc12)CCOC(CN(C)C)CCn4c3ccccc3c(c4)C=56;CN(C)C[CH]1CCn2cc(c3ccccc23)C4=C(C(=O)NC4=O)c5cn(CCO1)c6ccccc56;CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O","InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1","LY333531","2003-12-15","2020-06-17","(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione",""],["4MJ","1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1\n,8-fg]pteridin-7-yl]-D-ribitol","C30 H37 N4 O10 P","c2c5N(C=1NC(NC(C=1N3c5c(c(c2C)C)C(C)(CC3C(=O)Cc4ccccc4)C)=O)=O)CC(C(C(COP(O)(O)=O)O)O)O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](CC(C)(C)c(c1C)c24)C(=O)Cc5ccccc5)C(=O)NC(=O)N3;Cc1cc2c3c(c1C)C(CC(N3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C","InChI=1S/C30H37N4O10P/c1-15-10-18-24-23(16(15)2)30(3,4)12-19(20(35)11-17-8-6-5-7-9-17)34(24)25-27(31-29(40)32-28(25)39)33(18)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,19,21-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,31,32,39,40)/t19-,21-,22+,26-/m0/s1","phenylpyruvate derived adduct to prenylated FMN cofactor","2015-04-16","2020-06-17","1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol","2015-06-17"],["4MK","5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine","C28 H36 Cl N5 O3 S","O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3cc(c(cc3OC(C)C)C4CCNCC4)C)C(C)C;CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)C(C)C)n3;Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl","InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)","Ceritinib; LDK378","2013-09-16","2020-05-26","5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine","2014-04-09"],["LY5","(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid","C16 H24 F2 N2 O4","FC1(CN(C(C1)C(O)=O)CC2CC3C(CC2)CNC(C(O)=O)C3)F;OC(=O)[CH]1C[CH]2C[CH](CC[CH]2CN1)CN3CC(F)(F)C[CH]3C(O)=O;C1CC2CNC(CC2CC1CN3CC(CC3C(=O)O)(F)F)C(=O)O","InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13-/m0/s1","LY466195","2007-09-11","2020-06-17","(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid",""],["LY7","N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide","C19 H22 N2 O2 S","CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N;CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N","InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m1/s1","","2009-12-08","2011-06-04","N-[(2S)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide",""],["4ML","[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid","C7 H8 O4","O=C1OC(C=C1)(CC(=O)O)C;C[C]1(CC(O)=O)OC(=O)C=C1;CC1(C=CC(=O)O1)CC(=O)O","InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/t7-/m1/s1","4-methylmuconolactone","2009-05-14","2020-06-17","[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid",""],["4MM","N,N,N-trimethylmethionine","C8 H18 N O2 S","CSCCC([N+](C)(C)C)C(=O)O;CSCC[CH](C(O)=O)[N+](C)(C)C;C[N+](C)(C)C(CCSC)C(=O)O","InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1","(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium","2011-06-04","2024-09-27","(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium",""],["LY8","methyl (2~{R})-2-phenylpropanoate","C10 H12 O2","COC(=O)[CH](C)c1ccccc1;CC(c1ccccc1)C(=O)OC","InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1","","2019-09-27","2021-04-02","methyl (2~{R})-2-phenylpropanoate","2021-04-07"],["4MN","4-METHYLANILINE","C7 H9 N","Nc1ccc(cc1)C;Cc1ccc(N)cc1;Cc1ccc(cc1)N","InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3","","2013-05-23","2014-09-05","4-methylaniline","2014-06-25"],["LY9","L-arabinaric acid","C5 H8 O7","O=C(O)C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)C(O)=O)[CH](O)C(O)=O;C(C(C(=O)O)O)(C(C(=O)O)O)O","InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t2-,3-/m1/s1","L-Lyxarate","2010-09-27","2021-03-01","L-arabinaric acid",""],["LYA","2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID","C20 H21 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3NC(=NC(=O)c23)N)CCC(=O)O;NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)c[nH]c2N1;c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1","LY231514","2001-08-24","2021-03-01","N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid",""],["4MO","MOLYBDENUM(IV) ION","Mo","[Mo+4];[Mo+4];[Mo+4]","InChI=1S/Mo/q+4","","1999-07-08","2011-06-07","molybdenum(4+)",""],["4MP","1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE","C12 H13 N O3","O=C2N(C(=O)c1ccc(OC)cc1)CCC2;COc1ccc(cc1)C(=O)N2CCCC2=O;COc1ccc(cc1)C(=O)N2CCCC2=O","InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3","ANIRACETAM; 1-P-ANISOYL-2-PYRROLIDINONE","2005-08-15","2020-05-26","1-[(4-methoxyphenyl)carbonyl]pyrrolidin-2-one",""],["LYB","2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN\nO)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID","C35 H42 N8 O15","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCC(=O)O;NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)c2C(=O)N1;c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C35H42N8O15/c36-35-42-28-27(30(50)43-35)18(15-37-28)6-3-16-1-4-17(5-2-16)29(49)41-22(34(57)58)9-13-25(46)39-20(32(53)54)7-11-23(44)38-19(31(51)52)8-12-24(45)40-21(33(55)56)10-14-26(47)48/h1-2,4-5,15,19-22H,3,6-14H2,(H,38,44)(H,39,46)(H,40,45)(H,41,49)(H,47,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H4,36,37,42,43,50)/t19-,20-,21?,22-/m0/s1","LY231514 TETRA GLU","2001-08-27","2020-06-17","N-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid",""],["LYC","LYCOPENE","C40 H56","C(C=CC=C(CC/C=C(C)C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(C)CCC=C(/C)C)C)C)C)C;CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C;CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C","InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+","","1999-07-08","2011-06-04","psi,psi-carotene",""],["4MQ","4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE","C14 H18 N4","n1c3c(c(nc1)N2CCCN(C)CC2)cccc3;CN1CCCN(CC1)c2ncnc3ccccc23;CN1CCCN(CC1)c2c3ccccc3ncn2","InChI=1S/C14H18N4/c1-17-7-4-8-18(10-9-17)14-12-5-2-3-6-13(12)15-11-16-14/h2-3,5-6,11H,4,7-10H2,1H3","","2011-11-14","2014-04-16","4-(4-methyl-1,4-diazepan-1-yl)quinazoline","2012-10-19"],["4MR","5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE","C24 H22 N6 O4","O=C3NC(=O)NC(=O)C3(c2ccc(Oc1ccccc1)cc2)N5CCN(c4ncccn4)CC5;O=C1NC(=O)C(N2CCN(CC2)c3ncccn3)(C(=O)N1)c4ccc(Oc5ccccc5)cc4;c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5","InChI=1S/C24H22N6O4/c31-20-24(21(32)28-23(33)27-20,30-15-13-29(14-16-30)22-25-11-4-12-26-22)17-7-9-19(10-8-17)34-18-5-2-1-3-6-18/h1-12H,13-16H2,(H2,27,28,31,32,33)","","2007-02-16","2011-06-04","5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione",""],["LYD","2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID","C20 H23 N5 O4","O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)C(C)C;CC(C)[CH](NC(=O)c1ccc(CCc2c[nH]c3N=C(N)NC(=O)c23)cc1)C(O)=O;CC(C)C(C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N","InChI=1S/C20H23N5O4/c1-10(2)15(19(28)29)23-17(26)12-6-3-11(4-7-12)5-8-13-9-22-16-14(13)18(27)25-20(21)24-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24,25,27)/t15-/m0/s1","LY338529","2001-09-05","2020-06-17","N-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-valine",""],["4MS","N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis\nothiazol-7-yl}methyl)methanesulfonamide","C24 H25 Cl F N3 O6 S2","Fc1ccc(cc1Cl)CN4C(=O)C(C3=NS(=O)(=O)c2c(cccc23)CNS(=O)(=O)C)=C(O)C4C(C)(C)C;CC(C)(C)[CH]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(=C1O)C3=N[S](=O)(=O)c4c(CN[S](C)(=O)=O)cccc34;CC(C)(C)C1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O","InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-13-8-9-17(26)16(25)10-13)19-15-7-5-6-14(11-27-36(4,32)33)21(15)37(34,35)28-19/h5-10,22,27,30H,11-12H2,1-4H3/t22-/m1/s1","N-{3-[5-tert-Butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxo-1H-1lambda6-benzo\n[d]isothiazol-7-ylmethyl}-methanesulfonamide","2008-06-10","2020-06-17","N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide",""],["LYE","bromophenol blue","C19 H10 Br4 O5 S","Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3[S](O)(=O)=O;c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O","InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28/h1-8,24H,(H,26,27,28)","","2019-09-27","2020-09-04","2-[[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]benzenesulfonic acid","2020-09-09"],["LYF","(2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid","C13 H22 N2 O7","O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O;N[CH](CCCCN=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O;C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O)N","InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9-/m0/s1","","2011-10-25","2024-09-27","(2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid",""],["4MT","N-[2-(4-hydroxyphenyl)ethyl]thioformamide","C9 H11 N O S","S=CNCCc1ccc(O)cc1;Oc1ccc(CCNC=S)cc1;c1cc(ccc1CCNC=S)O","InChI=1S/C9H11NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,7,11H,5-6H2,(H,10,12)","N-(4-hydroxyphenethyl)methanethioamide","2014-02-17","2024-09-27","N-[2-(4-hydroxyphenyl)ethyl]thioformamide","2014-03-12"],["LYG","8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one","C15 H14 Cl N3 O2 S","Clc4cc3c(sc1c3N=C(NC1=O)CN2CCC(O)C2)cc4;O[CH]1CCN(C1)CC2=Nc3c(sc4ccc(Cl)cc34)C(=O)N2;c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)CN4CCC(C4)O","InChI=1S/C15H14ClN3O2S/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1","","2009-09-22","2011-06-04","8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one",""],["4MU","7-hydroxy-4-methyl-2H-chromen-2-one","C10 H8 O3","O=C2Oc1cc(O)ccc1C(=C2)C;CC1=CC(=O)Oc2cc(O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)O","InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3","4-methylumbelliferone","2008-11-06","2021-03-01","7-hydroxy-4-methyl-2H-chromen-2-one",""],["4MV","4-METHYL VALERIC ACID","C6 H12 O2","O=C(O)CCC(C)C;CC(C)CCC(O)=O;CC(C)CCC(=O)O","InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)","","2001-02-09","2011-06-04","4-methylpentanoic acid",""],["LYH","3,4 ENE-LYSINE","C6 H12 N2 O2","O=C(O)C(/C=C/CCN)N;NCCC=C[CH](N)C(O)=O;C(CN)C=CC(C(=O)O)N","InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1","(2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID","2011-03-14","2024-09-27","(2S,3E)-2,6-diaminohex-3-enoic acid","2012-08-24"],["4MW","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide","C38 H37 Cl N8 O7 S","O=C(NCCCCNC(COc1cccc3c1C(N(C2C(NC(CC2)=O)=O)C3=O)=O)=O)CC4N=C(c6c(n5c4nnc5C)sc(c6C)C)c7ccc(cc7)Cl;Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCNC(=O)COc4cccc5C(=O)N([CH]6CCC(=O)NC6=O)C(=O)c45)N=C(c7ccc(Cl)cc7)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O)c7ccc(cc7)Cl)C","InChI=1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26-/m0/s1","DB-2-190","2015-04-16","2021-03-01","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide","2015-11-18"],["LYI","[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate","C47 H85 O12 P","CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H85O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)58-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,40,42-47,49-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H,54,55)/b13-11-,19-17-,24-22-,30-28-/t40-,42-,43-,44+,45-,46-,47-/m1/s1","","2023-08-21","2023-12-15","[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate","2023-12-20"],["4MX","2,4-bis(oxidanyl)-6-pentyl-benzoic acid","C12 H16 O4","CCCCCc1cc(O)cc(O)c1C(O)=O;CCCCCc1cc(cc(c1C(=O)O)O)O","InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)","","2015-10-29","2016-01-22","2,4-bis(oxidanyl)-6-pentyl-benzoic acid","2016-01-27"],["LYJ","(2S)-2,6-diaminohexan-1-ol","C6 H16 N2 O","OCC(N)CCCCN;NCCCC[CH](N)CO;C(CCN)CC(CO)N","InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1","","2012-01-18","2024-09-27","(2S)-2,6-diaminohexan-1-ol",""],["4MY","Myo inositol 3,4,5,6 tetrakisphosphate","C6 H16 O18 P4","O=P(OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1","","2012-06-12","2012-06-29","(1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]",""],["LYK","(2S)-2,6-diaminohexane-1,1-diol","C6 H16 N2 O2","OC(O)C(N)CCCCN;NCCCC[CH](N)C(O)O;C(CCN)CC(C(O)O)N","InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1","","2010-10-08","2024-09-27","(2S)-2,6-diaminohexane-1,1-diol",""],["4MZ","4-METHYLIMIDAZOLE","C4 H6 N2","n1c(cnc1)C;Cc1c[nH]cn1;Cc1c[nH]cn1","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","","2000-01-20","2024-09-27","4-methyl-1H-imidazole",""],["LYL","2-ALLYL-6-METHYL-PHENOL","C10 H12 O","Oc1c(cccc1C/C=C)C;Cc1cccc(CC=C)c1O;Cc1cccc(c1O)CC=C","InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3","","2003-03-28","2011-06-04","2-methyl-6-prop-2-en-1-ylphenol",""],["4N0","(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide","C16 H13 I N2 O2","Ic1ccc(NC(=O)[CH]2CC(=O)Nc3ccccc23)cc1;c1ccc2c(c1)C(CC(=O)N2)C(=O)Nc3ccc(cc3)I","InChI=1S/C16H13IN2O2/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(20)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m1/s1","","2021-07-06","2022-04-29","(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide","2022-05-04"],["LYM","DEOXY-METHYL-LYSINE","C7 H16 N2 O","O=C(C)C(N)CCCCN;CC(=O)[CH](N)CCCCN;CC(=O)C(CCCCN)N","InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1","","1999-07-08","2011-08-06","(3S)-3,7-diaminoheptan-2-one",""],["4N1","4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium","C16 H19 N4 O2 S","c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS;COc1ccc2nc([nH]c2n1)[n+]3cc(C)c(OC)c(C)c3CS;Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC","InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1","","2016-04-01","2024-09-27","4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium","2017-11-15"],["LYN","2,6-DIAMINO-HEXANOIC ACID AMIDE","C6 H16 N3 O","O=C(N)C(N)CCCC[NH3+];N[CH](CCCC[NH3+])C(N)=O;C(CC[NH3+])CC(C(=O)N)N","InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1","","2000-11-10","2025-12-04","6-ammonio-L-norleucinamide",""],["LYO","4-HYDROXY-LYSINE","C6 H14 N2 O3","O=C(O)C(N)CC(O)CCN;NCC[CH](O)C[CH](N)C(O)=O;C(CN)C(CC(C(=O)O)N)O","InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1","","2011-03-30","2024-09-27","(4S)-4-hydroxy-L-lysine","2012-10-19"],["4N2","beta-L-idopyranose","C6 H12 O6","C1(OC(C(C(C1O)O)O)CO)O;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1","beta-L-idose; L-idose; idose","2016-03-21","2024-09-27","beta-L-idopyranose","2016-06-08"],["LYP","N~6~-METHYL-N~6~-PROPYL-L-LYSINE","C10 H22 N2 O2","O=C(O)C(N)CCCCN(CCC)C;CCCN(C)CCCC[CH](N)C(O)=O;CCCN(C)CCCCC(C(=O)O)N","InChI=1S/C10H22N2O2/c1-3-7-12(2)8-5-4-6-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1","","2007-03-28","2024-09-27","N~6~-methyl-N~6~-propyl-L-lysine",""],["4N3","N-octanoyl-D-valine","C13 H25 N O3","N(C(C(C)C)C(=O)O)C(=O)CCCCCCC;CCCCCCCC(=O)N[CH](C(C)C)C(O)=O;CCCCCCCC(=O)NC(C(C)C)C(=O)O","InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m1/s1","","2016-05-23","2024-09-27","N-octanoyl-D-valine","2016-09-28"],["LYQ","(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide","C18 H19 Cl N2 O3 S","N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl;c1cc(c(cc1O)Cl)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N","InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m0/s1","","2019-09-28","2020-10-02","(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide","2020-10-07"],["4N5","1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone","C16 H13 Cl N4 O3 S","CC(c1cccc(c1)n2c(nnn2)S(Cc3cccc(c3)Cl)(=O)=O)=O;CC(=O)c1cccc(c1)n2nnnc2[S](=O)(=O)Cc3cccc(Cl)c3;CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl","InChI=1S/C16H13ClN4O3S/c1-11(22)13-5-3-7-15(9-13)21-16(18-19-20-21)25(23,24)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3","","2015-04-19","2024-09-27","1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone","2015-06-17"],["4N6","2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol","C8 H7 Cl N4 O4","[O-][N+](=O)c2c1nonc1c(cc2NCCO)Cl;OCCNc1cc(Cl)c2nonc2c1[N+]([O-])=O;c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO","InChI=1S/C8H7ClN4O4/c9-4-3-5(10-1-2-14)8(13(15)16)7-6(4)11-17-12-7/h3,10,14H,1-2H2","","2015-04-19","2024-09-27","2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol","2015-07-29"],["LYR","N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE","C26 H42 N2 O2","O=C(O)C(N)CCCCNC/C=C(/C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C;CC1=C(C=CC(C)=CC=CC(C)=CCNCCCC[CH](N)C(O)=O)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCNCCCCC(C(=O)O)N)C)C","InChI=1S/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1","","2005-03-17","2024-09-27","N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine",""],["4N7","1-[(1Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-L-proline","C21 H21 N O3","N1(C(C(O)=O)CCC1)/C(=CC(=O)c2ccc(cc2)C)c3ccccc3;Cc1ccc(cc1)C(=O)C=C(N2CCC[CH]2C(O)=O)c3ccccc3;Cc1ccc(cc1)C(=O)C=C(c2ccccc2)N3CCCC3C(=O)O","InChI=1S/C21H21NO3/c1-15-9-11-17(12-10-15)20(23)14-19(16-6-3-2-4-7-16)22-13-5-8-18(22)21(24)25/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,24,25)/b19-14-/t18-/m0/s1","","2015-04-20","2024-09-27","1-[(1Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-L-proline","2016-09-28"],["LYS","LYSINE","C6 H15 N2 O2","O=C(O)C(N)CCCC[NH3+];N[CH](CCCC[NH3+])C(O)=O;C(CC[NH3+])CC(C(=O)O)N","InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1","","1999-07-08","2024-09-27","6-ammonio-L-norleucine",""],["LYT","BUTYLAMINE","C4 H11 N","NCCCC;CCCCN;CCCCN","InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3","","1999-07-08","2024-09-27","butan-1-amine",""],["4N8","1-[(furan-2-ylmethyl)carbamothioyl]-L-proline","C11 H14 N2 O3 S","C(C1N(CCC1)C(=S)NCc2occc2)(=O)O;OC(=O)[CH]1CCCN1C(=S)NCc2occc2;c1cc(oc1)CNC(=S)N2CCCC2C(=O)O","InChI=1S/C11H14N2O3S/c14-10(15)9-4-1-5-13(9)11(17)12-7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,12,17)(H,14,15)/t9-/m0/s1","","2015-04-20","2024-09-27","1-[(furan-2-ylmethyl)carbamothioyl]-L-proline","2016-09-28"],["4N9","1-[(4-cyanobenzyl)carbamothioyl]-L-proline","C14 H15 N3 O2 S","C(=O)(O)C2N(C(NCc1ccc(cc1)C#N)=S)CCC2;OC(=O)[CH]1CCCN1C(=S)NCc2ccc(cc2)C#N;c1cc(ccc1CNC(=S)N2CCCC2C(=O)O)C#N","InChI=1S/C14H15N3O2S/c15-8-10-3-5-11(6-4-10)9-16-14(20)17-7-1-2-12(17)13(18)19/h3-6,12H,1-2,7,9H2,(H,16,20)(H,18,19)/t12-/m0/s1","","2015-04-20","2024-09-27","1-[(4-cyanobenzyl)carbamothioyl]-L-proline","2016-09-28"],["LYU","N~6~-(4-methylpentyl)-L-lysine","C12 H26 N2 O2","O=C(O)C(N)CCCCNCCCC(C)C;CC(C)CCCNCCCC[CH](N)C(O)=O;CC(C)CCCNCCCCC(C(=O)O)N","InChI=1S/C12H26N2O2/c1-10(2)6-5-9-14-8-4-3-7-11(13)12(15)16/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t11-/m0/s1","","2011-03-23","2011-06-04","N~6~-(4-methylpentyl)-L-lysine",""],["LYV","O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide","C9 H19 N4 O8 P","O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O;N[CH](CCNC(=O)CNC(=O)[CH](N)CO[P](O)(O)=O)C(O)=O;C(CNC(=O)CNC(=O)C(COP(=O)(O)O)N)C(C(=O)O)N","InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1","","2013-12-06","2024-09-27","O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide","2014-12-03"],["4NA","1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL","C16 H11 Cl O2","Clc2c(O)ccc1cc(ccc12)c3ccc(O)cc3;Oc1ccc(cc1)c2ccc3c(Cl)c(O)ccc3c2;c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O","InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H","","2005-03-02","2011-06-04","1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol",""],["LYW","1-AMINO-1-CARBONYL PENTANE","C6 H13 N O","O=CC(N)CCCC;CCCC[CH](N)C=O;CCCCC(C=O)N","InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1","","1999-07-08","2011-12-12","(2S)-2-aminohexanal",""],["4NB","4-NITROBENZOIC ACID","C7 H5 N O4","O=[N+]([O-])c1ccc(C(=O)O)cc1;OC(=O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(=O)O)[N+](=O)[O-]","InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)","PARA NITROBENZOIC ACID","2003-07-24","2020-06-17","4-nitrobenzoic acid",""],["4NC","4-NITROCATECHOL","C6 H5 N O4","[O-][N+](=O)c1cc(O)c(O)cc1;Oc1ccc(cc1O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])O)O","InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H","","1999-07-08","2011-06-04","4-nitrobenzene-1,2-diol",""],["LYX","N''-(2-COENZYME A)-PROPANOYL-LYSINE","C30 H52 N9 O19 P3 S","O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C;C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCCCC[CH](N)C(O)=O;CC(C(=O)NCCCCC(C(=O)O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1","","2002-07-22","2024-09-27","(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)",""],["4ND","N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE","C14 H15 N5 O","O=C(N(c1ccccc1)c2ccccc2)NNC(=[N@H])N;NC(=N)NNC(=O)N(c1ccccc1)c2ccccc2;c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N","InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17)","","2003-01-24","2024-09-27","2-carbamimidoyl-N,N-diphenylhydrazinecarboxamide",""],["LYY","1,5-anhydro-D-arabinitol","C5 H10 O4","OC1COCC(O)C1O;O[CH]1COC[CH](O)[CH]1O;C1C(C(C(CO1)O)O)O","InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1","","2007-10-18","2024-01-05","1,5-anhydro-D-arabinitol","2024-01-10"],["4NE","tetrabutylphosphonium","C16 H36 P","CCCC[P+](CCCC)(CCCC)CCCC;CCCC[P+](CCCC)(CCCC)CCCC;CCCC[P+](CCCC)(CCCC)CCCC","InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1","","2013-11-12","2014-01-10","tetrabutylphosphonium","2014-01-15"],["LYZ","5-HYDROXYLYSINE","C6 H14 N2 O3","O=C(O)C(N)CCC(O)CN;NC[CH](O)CC[CH](N)C(O)=O;C(CC(C(=O)O)N)C(CN)O","InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1","","1999-07-08","2024-09-27","(5R)-5-hydroxy-L-lysine",""],["4NF","N-(4-nitrophenyl)thioformamide","C7 H6 N2 O2 S","S=CNc1ccc(cc1)[N+]([O-])=O;[O-][N+](=O)c1ccc(NC=S)cc1;c1cc(ccc1NC=S)[N+](=O)[O-]","InChI=1S/C7H6N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-5H,(H,8,12)","4-NITROPHENYL ISOTHIOCYANATE, bound form","2012-04-08","2024-09-27","N-(4-nitrophenyl)thioformamide","2012-12-07"],["LZ0","[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside","C11 H17 N3 O6","O=CCn1nncc1COC2OC(C(O)C(O)C2O)C;C[CH]1O[CH](OCc2cnnn2CC=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCc2cnnn2CC=O)O)O)O","InChI=1S/C11H17N3O6/c1-6-8(16)9(17)10(18)11(20-6)19-5-7-4-12-13-14(7)2-3-15/h3-4,6,8-11,16-18H,2,5H2,1H3/t6-,8+,9+,10-,11+/m0/s1","[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactoside; [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl\n6-deoxy-L-galactoside; [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-galactoside","2008-05-22","2020-07-17","[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside",""],["LZ1","1H-indazole","C7 H6 N2","n2cc1ccccc1n2;[nH]1ncc2ccccc12;c1ccc2c(c1)cn[nH]2","InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)","","2008-05-13","2011-06-04","1H-indazole",""],["4NG","[(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid","C4 H8 N O6 P","C1(C(CC(N1O)O)P(O)(=O)O)=O;O[CH]1C[CH](C(=O)N1O)[P](O)(O)=O;C1C(C(=O)N(C1O)O)P(=O)(O)O","InChI=1S/C4H8NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2-3,6,8H,1H2,(H2,9,10,11)/t2-,3-/m0/s1","","2015-04-20","2016-07-15","[(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid","2016-07-20"],["LZ2","5-hydroxynaphthalene-1-sulfonamide","C10 H9 N O3 S","O=S(=O)(c1cccc2c1cccc2O)N;N[S](=O)(=O)c1cccc2c(O)cccc12;c1cc2c(cccc2S(=O)(=O)N)c(c1)O","InChI=1S/C10H9NO3S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6,12H,(H2,11,13,14)","","2008-05-15","2011-06-04","5-hydroxynaphthalene-1-sulfonamide",""],["4NH","4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE","C17 H23 N3 O5 S2","O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c2ccc(OCC#CCN)cc2;CC1(C)SCCN([CH]1C(=O)NO)[S](=O)(=O)c2ccc(OCC#CCN)cc2;CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C","InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1","","2005-07-15","2011-06-04","(3S)-4-({4-[(4-aminobut-2-yn-1-yl)oxy]phenyl}sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide",""],["4NI","4-nitrobutanoic acid","C4 H7 N O4","[O-][N+](=O)CCCC(=O)O;OC(=O)CCC[N+]([O-])=O;C(CC(=O)O)C[N+](=O)[O-]","InChI=1S/C4H7NO4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)","","2007-09-10","2011-06-04","4-nitrobutanoic acid",""],["LZ3","N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide","C14 H12 N4 O3 S","O=S(=O)(N)c1ccc(cc1)NC(=O)c3nnc2ccccc23;N[S](=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1;c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)(H2,15,20,21)","","2008-05-15","2011-06-04","N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide",""],["LZ4","4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide","C10 H9 Cl N4 O2 S","Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2;N[S](=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1;c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N","InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)","","2008-05-15","2011-06-04","4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide",""],["4NJ","(5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one","C27 H21 Cl3 N2 O2","C(c1ccc(cc1)Cl)C2(N(C(C(=C2c3cnc4c3ccc(c4)Cl)Cc5ccc(cc5)Cl)=O)C)O;CN1C(=O)C(=C(c2c[nH]c3cc(Cl)ccc23)[C]1(O)Cc4ccc(Cl)cc4)Cc5ccc(Cl)cc5;CN1C(=O)C(=C(C1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl","InChI=1S/C27H21Cl3N2O2/c1-32-26(33)22(12-16-2-6-18(28)7-3-16)25(23-15-31-24-13-20(30)10-11-21(23)24)27(32,34)14-17-4-8-19(29)9-5-17/h2-11,13,15,31,34H,12,14H2,1H3/t27-/m0/s1","","2015-04-21","2016-10-14","(5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one","2016-10-19"],["LZ5","N-phenyl-1H-pyrazole-3-carboxamide","C10 H9 N3 O","O=C(Nc1ccccc1)c2nncc2;O=C(Nc1ccccc1)c2cc[nH]n2;c1ccc(cc1)NC(=O)c2cc[nH]n2","InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)","","2008-05-15","2011-06-04","N-phenyl-1H-pyrazole-3-carboxamide",""],["4NK","(1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium","C17 H29 N5 O8 S","OC(C(CCC(=O)NC(C(O)=O)CS(=O)c1ncc(n1)CC(C(=O)O)[N+](C)(C)C)[NH3+])=O;C[N+](C)(C)[CH](Cc1c[nH]c(n1)[S](=O)C[CH](NC(=O)CC[CH]([NH3+])C(O)=O)C(O)=O)C(O)=O;C[N+](C)(C)C(Cc1c[nH]c(n1)S(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)[NH3+])C(=O)O","InChI=1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p+2/t10-,11-,12-,31-/m0/s1","","2015-04-21","2015-06-26","(1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium","2015-07-01"],["4NL","4-AMINOPHENOL","C6 H7 N O","Oc1ccc(N)cc1;Nc1ccc(O)cc1;c1cc(ccc1N)O","InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2","","2007-02-05","2011-06-04","4-aminophenol",""],["LZ6","L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine","C24 H35 Cl N4 O8 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCN(c1ccc(cc1)CCCC(=O)O)CCCl;N[CH](CCC(=O)N[CH](CSCCN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC(O)=O)C(O)=O;c1cc(ccc1CCCC(=O)O)N(CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCCl","InChI=1S/C24H35ClN4O8S/c25-10-11-29(17-6-4-16(5-7-17)2-1-3-21(31)32)12-13-38-15-19(23(35)27-14-22(33)34)28-20(30)9-8-18(26)24(36)37/h4-7,18-19H,1-3,8-15,26H2,(H,27,35)(H,28,30)(H,31,32)(H,33,34)(H,36,37)/t18-,19-/m0/s1","Chlorambucil-Glutathione Conjugate","2008-04-17","2020-06-17","L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine",""],["LZ7","4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide","C12 H11 F N4 O2","O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)C;CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(F)cc2;CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F","InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)","","2008-05-15","2011-06-04","4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide",""],["4NM","(4-nitrophenyl)methanethiol","C7 H7 N O2 S","O=[N+]([O-])c1ccc(CS)cc1;[O-][N+](=O)c1ccc(CS)cc1;c1cc(ccc1CS)[N+](=O)[O-]","InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2","","2008-02-08","2026-04-03","(4-nitrophenyl)methanethiol",""],["LZ8","N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE","C17 H13 F N4 O2","O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3ccccc3;Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1;c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F","InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)","","2008-05-15","2011-06-04","N-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1H-pyrazole-3-carboxamide",""],["4NN","N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide","C8 H11 N O5","O=C1OC(CO)C(O)C=C1NC(=O)C;CC(=O)NC1=C[CH](O)[CH](CO)OC1=O;CC(=O)NC1=CC(C(OC1=O)CO)O","InChI=1S/C8H11NO5/c1-4(11)9-5-2-6(12)7(3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11)/t6-,7+/m0/s1","","2011-06-08","2020-07-17","N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide (non-preferred name)",""],["4NO","4-nitro-2-phosphonobenzoic acid","C7 H6 N O7 P","[O-][N+](=O)c1cc(c(C(=O)O)cc1)P(=O)(O)O;OC(=O)c1ccc(cc1[P](O)(O)=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O","InChI=1S/C7H6NO7P/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15/h1-3H,(H,9,10)(H2,13,14,15)","","2014-08-27","2014-12-05","4-nitro-2-phosphonobenzoic acid","2014-12-10"],["LZ9","{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide","C17 H11 F3 N4 O2","O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3c(F)cccc3F;Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3c(F)cccc3F)cc1;c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F","InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)","","2008-05-15","2011-06-04","4-{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide",""],["4NP","4-NITROPHENYL PHOSPHATE","C6 H6 N O6 P","O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O;O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O","InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)","","1999-09-21","2011-06-04","4-nitrophenyl dihydrogen phosphate",""],["LZA","{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide","C16 H17 F2 N5 O2","O=C(NC1CCNCC1)c3nncc3NC(=O)c2c(F)cccc2F;Fc1cccc(F)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3;c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F","InChI=1S/C16H17F2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)","","2008-05-15","2011-06-04","4-{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide",""],["LZB","5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C10 H10 Cl N5","N#Cc1cnn2c(cc(Cl)nc12)NC(C)C;CC(C)Nc1cc(Cl)nc2n1ncc2C#N;CC(C)Nc1cc(nc2n1ncc2C#N)Cl","InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3","","2008-05-15","2011-06-04","5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile",""],["4NQ","Dextromethorphan","C18 H25 N O","COc1ccc2CC3C4CCCCC4(CCN3C)c2c1;COc1ccc2C[CH]3[CH]4CCCC[C]4(CCN3C)c2c1;CN1CCC23CCCCC2C1Cc4c3cc(cc4)OC","InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1","3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan","2015-04-21","2025-11-11","3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan","2025-09-17"],["LZC","5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE","C16 H23 N7","N#Cc1cnn2c(cc(nc12)NC3CCC(N)CC3)NC(C)C;CC(C)Nc1cc(N[CH]2CC[CH](N)CC2)nc3n1ncc3C#N;CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N","InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)/t12-,13-","","2008-05-15","2011-06-04","5-[(trans-4-aminocyclohexyl)amino]-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile",""],["4NR","5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C12 H10 F N5","Fc3ccc(C1=CN=C2C1=C(N=C(N)N2)N)cc3;Nc1[nH]c2ncc(c3ccc(F)cc3)c2c(N)n1;c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F","InChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18)","","2014-01-15","2015-01-16","5-(4-fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["4NS","4-nitrophenyl sulfate","C6 H5 N O6 S","O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)O;O[S](=O)(=O)Oc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O","InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)","4-nitrophenyl hydrogen sulfate","2009-02-03","2021-03-01","4-nitrophenyl hydrogen sulfate",""],["LZD","4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide","C16 H17 F2 N5 O2","O=C(NC1CCCNC1)c3nncc3NC(=O)c2c(F)cccc2F;Fc1cccc(F)c1C(=O)Nc2c[nH]nc2C(=O)N[CH]3CCCNC3;c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCCNC3)F","InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1","","2008-05-15","2011-06-04","4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide",""],["4NT","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C15 H16 Cl N3 O5","NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16ClN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2015-04-21","2024-09-27","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","2015-06-10"],["LZE","4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide","C16 H17 Cl2 N5 O2","O=C(NC1CCNCC1)c3nncc3NC(=O)c2c(Cl)cccc2Cl;Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3;c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl","InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)","","2008-05-20","2011-06-04","4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide",""],["4NU","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H15 Cl2 N3 O5","NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O;C[CH](O)[CH](N)C1=NC(=CC2C=C(Cl)C(=O)C(=C2)Cl)C(=O)N1CC(O)=O;CC(C(C1=NC(=CC2C=C(C(=O)C(=C2)Cl)Cl)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2015-04-21","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2015-06-10"],["LZF","5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide","C23 H22 Cl F N4 O4 S","O=C(NC3C(OC)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4;CO[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O;COC1CN(CC1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O","InChI=1S/C23H22ClFN4O4S/c1-33-18-12-28(11-17(18)27-23(32)19-7-8-20(24)34-19)13-21(30)26-16-6-5-14(10-15(16)25)29-9-3-2-4-22(29)31/h2-10,17-18H,11-13H2,1H3,(H,26,30)(H,27,32)/t17-,18-/m0/s1","","2008-06-05","2011-06-04","5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide",""],["4NX","(5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one","C26 H18 Cl3 N O3","Clc1ccc(cc1)CC2=C(C(OC2=O)(O)Cc3ccc(cc3)Cl)c4cnc5cc(Cl)ccc45;O[C]1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c3c[nH]c4cc(Cl)ccc34)Cc5ccc(Cl)cc5;c1cc(ccc1CC2=C(C(OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl","InChI=1S/C26H18Cl3NO3/c27-17-5-1-15(2-6-17)11-21-24(22-14-30-23-12-19(29)9-10-20(22)23)26(32,33-25(21)31)13-16-3-7-18(28)8-4-16/h1-10,12,14,30,32H,11,13H2/t26-/m1/s1","","2015-04-23","2016-10-14","(5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one","2016-10-19"],["LZG","5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE","C22 H19 Cl F2 N4 O3 S","O=C(NC3C(F)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4;F[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(C(C3)F)NC(=O)c4ccc(s4)Cl","InChI=1S/C22H19ClF2N4O3S/c23-19-7-6-18(33-19)22(32)27-17-11-28(10-15(17)25)12-20(30)26-16-5-4-13(9-14(16)24)29-8-2-1-3-21(29)31/h1-9,15,17H,10-12H2,(H,26,30)(H,27,32)/t15-,17-/m0/s1","","2008-06-26","2011-06-04","5-chloro-N-[(3S,4S)-4-fluoro-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide",""],["4NY","4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid","C25 H16 Cl F N2 O2","C(=O)(O)c1ccc(cc1)C(C#N)=[C@H]c4c2ccc(cc2n(Cc3ccc(cc3)F)c4)Cl;OC(=O)c1ccc(cc1)C(=Cc2cn(Cc3ccc(F)cc3)c4cc(Cl)ccc24)C#N;c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)C=C(C#N)c4ccc(cc4)C(=O)O)F","InChI=1S/C25H16ClFN2O2/c26-21-7-10-23-20(11-19(13-28)17-3-5-18(6-4-17)25(30)31)15-29(24(23)12-21)14-16-1-8-22(27)9-2-16/h1-12,15H,14H2,(H,30,31)/b19-11+","","2015-04-23","2015-10-09","4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid","2015-10-14"],["LZH","5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE","C23 H22 Cl F N4 O4 S","O=C(NC3CC(N(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)CO)c4sc(Cl)cc4;OC[CH]1C[CH](CN1CC(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)NC(=O)c4sc(Cl)cc4;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(CC3CO)NC(=O)c4ccc(s4)Cl","InChI=1S/C23H22ClFN4O4S/c24-20-7-6-19(34-20)23(33)26-14-9-16(13-30)28(11-14)12-21(31)27-18-5-4-15(10-17(18)25)29-8-2-1-3-22(29)32/h1-8,10,14,16,30H,9,11-13H2,(H,26,33)(H,27,31)/t14-,16+/m1/s1","","2008-06-26","2011-06-04","5-chloro-N-[(3R,5S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]thiophene-2-carboxamide",""],["4NZ","4-nitrobenzenesulfonamide","C6 H6 N2 O4 S","O=S(=O)(N)c1ccc([N+]([O-])=O)cc1;N[S](=O)(=O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)","","2010-04-01","2011-06-04","4-nitrobenzenesulfonamide",""],["LZI","(4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide","C27 H27 Cl F N5 O4 S","O=C(NC4CC(C(=O)NCC1CC1)N(CC(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)C4)c5sc(Cl)cc5;Fc1cc(ccc1NC(=O)CN2C[CH](C[CH]2C(=O)NCC3CC3)NC(=O)c4sc(Cl)cc4)N5C=CC=CC5=O;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(CC3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl","InChI=1S/C27H27ClFN5O4S/c28-23-9-8-22(39-23)27(38)31-17-11-21(26(37)30-13-16-4-5-16)33(14-17)15-24(35)32-20-7-6-18(12-19(20)29)34-10-2-1-3-25(34)36/h1-3,6-10,12,16-17,21H,4-5,11,13-15H2,(H,30,37)(H,31,38)(H,32,35)/t17-,21+/m1/s1","","2008-06-26","2011-06-04","(4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide",""],["4O0","3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid","C28 H21 Cl F2 N2 O3 S","C(n2c1c(c(Cl)ccc1c(c2C)Sc3cccc(c3F)C(O)=O)F)C(N5CC4(CC4)c6c5cccc6)=O;Cc1n(CC(=O)N2CC3(CC3)c4ccccc24)c5c(F)c(Cl)ccc5c1Sc6cccc(C(O)=O)c6F;Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O","InChI=1S/C28H21ClF2N2O3S/c1-15-26(37-21-8-4-5-16(23(21)30)27(35)36)17-9-10-19(29)24(31)25(17)32(15)13-22(34)33-14-28(11-12-28)18-6-2-3-7-20(18)33/h2-10H,11-14H2,1H3,(H,35,36)","","2015-04-23","2015-10-09","3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid","2015-10-14"],["LZJ","6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine","C13 H9 Br2 N5","Brc3cccc(Br)c3c1cc2c(nc1N)nc(nc2)N;Nc1ncc2cc(c(N)nc2n1)c3c(Br)cccc3Br;c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br","InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)","","2008-10-02","2011-06-04","6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine",""],["LZK","6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE","C15 H15 N5 O2","n1c(c(cc2c1nc(nc2)N)c3c(OC)cccc3OC)N;COc1cccc(OC)c1c2cc3cnc(N)nc3nc2N;COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC","InChI=1S/C15H15N5O2/c1-21-10-4-3-5-11(22-2)12(10)9-6-8-7-18-15(17)20-14(8)19-13(9)16/h3-7H,1-2H3,(H4,16,17,18,19,20)","","2008-10-02","2011-06-04","6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine",""],["4O1","N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide","C25 H32 Cl N5 O5 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)N(CC(=O)N)C3C(=O)N(CC3)C(C(=O)N4CCCN(C)CC4)C;C[CH](N1CC[CH](N(CC(N)=O)[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCCN(C)CC4;CC(C(=O)N1CCCN(CC1)C)N2CCC(C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl","InChI=1S/C25H32ClN5O5S/c1-17(24(33)29-10-3-9-28(2)12-13-29)30-11-8-22(25(30)34)31(16-23(27)32)37(35,36)21-7-5-18-14-20(26)6-4-19(18)15-21/h4-7,14-15,17,22H,3,8-13,16H2,1-2H3,(H2,27,32)/t17-,22-/m0/s1","GTC000401","2015-02-13","2021-03-01","N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide","2015-09-30"],["LZL","7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine","C17 H15 N5","n3c2nc(c(c1ccccc1)cc2cnc3N)N4CC=CC4;Nc1ncc2cc(c3ccccc3)c(nc2n1)N4CC=CC4;c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N","InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)","","2008-10-02","2011-06-04","7-(2,5-dihydro-1H-pyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine",""],["4O2","3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid","C23 H20 F N3 O4","C(CC(O)=O)N5C(=O)C1N(Cc3c(C1)c2ccccc2n3Cc4ccc(cc4)F)C5=O;OC(=O)CCN1C(=O)[CH]2Cc3c(CN2C1=O)n(Cc4ccc(F)cc4)c5ccccc35;c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5C(C3)C(=O)N(C5=O)CCC(=O)O","InChI=1S/C23H20FN3O4/c24-15-7-5-14(6-8-15)12-26-18-4-2-1-3-16(18)17-11-19-22(30)25(10-9-21(28)29)23(31)27(19)13-20(17)26/h1-8,19H,9-13H2,(H,28,29)/t19-/m0/s1","","2015-04-23","2015-10-09","3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid","2015-10-14"],["LZM","PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE","C7 H4 N4","N#Cc1cnn2cccnc12;N#Cc1cnn2cccnc12;c1cnc2c(cnn2c1)C#N","InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H","","2008-05-15","2011-06-04","pyrazolo[1,5-a]pyrimidine-3-carbonitrile",""],["4O3","(11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione","C20 H16 F N3 O2","C2N5C(=O)NC(=O)C5Cc3c1ccccc1n(c23)Cc4ccc(cc4)F;Fc1ccc(Cn2c3CN4[CH](Cc3c5ccccc25)C(=O)NC4=O)cc1;c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5C(C3)C(=O)NC5=O","InChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)10-23-16-4-2-1-3-14(16)15-9-17-19(25)22-20(26)24(17)11-18(15)23/h1-8,17H,9-11H2,(H,22,25,26)/t17-/m0/s1","","2015-04-23","2015-10-09","(11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione","2015-10-14"],["4O4","6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide","C25 H28 Cl N3 O6 S","CCC(CN(C1C=CN(C1=O)C(C)C(=O)N2CCOCC2)S(c3cc4c(cc3)cc(Cl)cc4)(=O)=O)=O;CCC(=O)CN([CH]1C=CN([CH](C)C(=O)N2CCOCC2)C1=O)[S](=O)(=O)c3ccc4cc(Cl)ccc4c3;CCC(=O)CN(C1C=CN(C1=O)C(C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl","InChI=1S/C25H28ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-9,14-15,17,23H,3,10-13,16H2,1-2H3/t17-,23-/m0/s1","","2015-04-24","2016-01-08","6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide","2016-01-13"],["LZN","6-[(cyclopropanecarbonyl)amino]-4-{[(4M)-3-methoxy-4-(1-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}-N-methylpyridazine-3-carboxamide","C19 H21 N9 O3","Cn1cnc(n1)c1ccnc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c1OC;CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3nccc(c4ncn(C)n4)c3OC;CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3c(c(ccn3)c4ncn(n4)C)OC","InChI=1S/C19H21N9O3/c1-20-19(30)14-12(8-13(25-26-14)24-18(29)10-4-5-10)23-17-15(31-3)11(6-7-21-17)16-22-9-28(2)27-16/h6-10H,4-5H2,1-3H3,(H,20,30)(H2,21,23,24,25,29)","","2022-03-09","2023-03-17","6-[(cyclopropanecarbonyl)amino]-4-{[(4M)-3-methoxy-4-(1-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}-N-methylpyridazine-3-carboxamide","2023-03-22"],["4O5","4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide","C18 H15 Cl F N3 O4 S2","CNC(c3ccc(N2C=CC(NS(C=Cc1ccc(Cl)s1)(=O)=O)C2=O)c(F)c3)=O;CNC(=O)c1ccc(N2C=C[CH](N[S](=O)(=O)C=Cc3sc(Cl)cc3)C2=O)c(F)c1;CNC(=O)c1ccc(c(c1)F)N2C=CC(C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl","InChI=1S/C18H15ClFN3O4S2/c1-21-17(24)11-2-4-15(13(20)10-11)23-8-6-14(18(23)25)22-29(26,27)9-7-12-3-5-16(19)28-12/h2-10,14,22H,1H3,(H,21,24)/b9-7+/t14-/m0/s1","","2015-04-26","2016-01-08","4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide","2016-01-13"],["LZO","5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid","C15 H16 O3 S","OC(=O)CCCCc1sc(cc1)c2cccc(O)c2;c1cc(cc(c1)O)c2ccc(s2)CCCCC(=O)O","InChI=1S/C15H16O3S/c16-12-5-3-4-11(10-12)14-9-8-13(19-14)6-1-2-7-15(17)18/h3-5,8-10,16H,1-2,6-7H2,(H,17,18)","","2022-07-18","2023-08-11","5-[5-(3-hydroxyphenyl)thiophen-2-yl]pentanoic acid","2023-08-16"],["4O6","(E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide","C19 H24 Cl N3 O5 S","O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)C=Cc2ccc(Cl)cc2)CC3)C;C[CH](N1CC[CH](N[S](=O)(=O)C=Cc2ccc(Cl)cc2)C1=O)C(=O)N3CCOCC3;CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(cc3)Cl","InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1","GTC000406","2015-02-13","2020-06-17","(E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide","2015-09-30"],["LZP","4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}","C38 H34 N2 O8","O=C(C(=O)CC(=O)c2cccc(OCc1ccccc1)c2)N5CCN(C(=O)C(=O)CC(=O)c4cccc(OCc3ccccc3)c4)CC5;O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(OCc5ccccc5)c4;c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5","InChI=1S/C38H34N2O8/c41-33(29-13-7-15-31(21-29)47-25-27-9-3-1-4-10-27)23-35(43)37(45)39-17-19-40(20-18-39)38(46)36(44)24-34(42)30-14-8-16-32(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22H,17-20,23-26H2","","2008-09-04","2011-06-04","4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}",""],["4O7","(5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1\n5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol","C28 H30 N4 O3","O1C2n6c4c3n(C1(C(C(C2)NC)OC)C)c8c(c3C7C(c4c5ccccc56)C(NC7)O)cccc8;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5[CH]6CN[CH](O)[CH]6c7c8ccccc8n2c7c35;CC12C(C(CC(O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6C8C5C(NC8)O)NC)OC","InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,16-17,20,23,26-27,29-30,33H,12-13H2,1-3H3/t16-,17-,20-,23-,26-,27-,28+/m1/s1","staurosporine","2015-04-27","2020-06-17","(5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol","2016-03-09"],["LZQ","4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid","C24 H21 N O4","O=C(O)C(=O)CC(=O)c3cc(N(Cc1ccccc1)Cc2ccccc2)ccc3;OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3;c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O","InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29)","","2008-09-04","2011-06-04","4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid",""],["LZR","6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-(CYCLOPROPYLMETHYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]-7-METHOXYQUINAZOLIN-4(3H)-ONE","C25 H26 N4 O4","O=C1N(C=CC5=C1CCN(C4=Nc3cc(OC)c(OCC2C=C2)cc3C(=O)N4)C5)CC6CC6;COc1cc2N=C(NC(=O)c2cc1OCC3C=C3)N4CCC5=C(C4)C=CN(CC6CC6)C5=O;COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6","InChI=1S/C25H26N4O4/c1-32-21-11-20-19(10-22(21)33-14-16-4-5-16)23(30)27-25(26-20)29-9-7-18-17(13-29)6-8-28(24(18)31)12-15-2-3-15/h4-6,8,10-11,15-16H,2-3,7,9,12-14H2,1H3,(H,26,27,30)","","2008-10-10","2011-06-04","6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1H)-yl]-7-methoxyquinazolin-4(3H)-one",""],["4O8","{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","C16 H11 Br Cl F2 N O4","Fc1c(c(F)cc(Br)c1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(Br)cc2F;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F","InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)","","2013-07-18","2014-04-25","{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","2014-04-30"],["LZS","N-{6-(CYCLOPROPYLMETHOXY)-7-METHOXY-2-[6-(2-METHYLPROPYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]QUINAZOLIN-4-YL}-2,2,2-TRIFLUOROETHANESULFONAMIDE","C27 H32 F3 N5 O5 S","FC(F)(F)CS(=O)(=O)Nc3nc(nc2cc(OC)c(OCC1CC1)cc23)N5CCC4=C(C=CN(C4=O)CC(C)C)C5;COc1cc2nc(nc(N[S](=O)(=O)CC(F)(F)F)c2cc1OCC3CC3)N4CCC5=C(C4)C=CN(CC(C)C)C5=O;CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC","InChI=1S/C27H32F3N5O5S/c1-16(2)12-34-8-6-18-13-35(9-7-19(18)25(34)36)26-31-21-11-22(39-3)23(40-14-17-4-5-17)10-20(21)24(32-26)33-41(37,38)15-27(28,29)30/h6,8,10-11,16-17H,4-5,7,9,12-15H2,1-3H3,(H,31,32,33)","","2008-10-10","2011-06-04","N-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1H)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide",""],["4O9","{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid","C16 H11 Cl F2 I N O4","O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2c(F)cc(I)cc2F;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(I)cc2F;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F","InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)","","2013-07-17","2014-04-25","{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid","2014-04-30"],["4OA","(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid","C24 H40 O3","O=C(O)CCC(C4C3(C(C2C(C1(CCC(O)CC1CC2)C)CC3)CC4)C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1","Lithocholic acid","2008-12-01","2021-03-01","(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid",""],["LZT","N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-L-threoninamide","C34 H39 N3 O6","O=C(NCc1ccc(cc1)C)C(NC(=O)C(NC(=O)CC3c2cc(OC)ccc2C(=O)C3)C(O)C)CCc4ccccc4;COc1ccc2C(=O)C[CH](CC(=O)N[CH]([CH](C)O)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccc(C)cc4)c2c1;Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC(=O)CC3CC(=O)c4c3cc(cc4)OC","InChI=1S/C34H39N3O6/c1-21-9-11-24(12-10-21)20-35-33(41)29(16-13-23-7-5-4-6-8-23)36-34(42)32(22(2)38)37-31(40)18-25-17-30(39)27-15-14-26(43-3)19-28(25)27/h4-12,14-15,19,22,25,29,32,38H,13,16-18,20H2,1-3H3,(H,35,41)(H,36,42)(H,37,40)/t22-,25+,29+,32+/m1/s1","","2010-10-19","2011-06-04","N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-L-threoninamide",""],["4OB","N-hydroxy-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide","C14 H11 F3 N2 O","FC(c1cccc(c1)/C(NO)=Nc2ccccc2)(F)F;ONC(=Nc1ccccc1)c2cccc(c2)C(F)(F)F;c1ccc(cc1)N=C(c2cccc(c2)C(F)(F)F)NO","InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-4-5-10(9-11)13(19-20)18-12-7-2-1-3-8-12/h1-9,20H,(H,18,19)","","2015-04-27","2015-07-31","N-hydroxy-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide","2015-08-05"],["LZU","10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine","C21 H26 N2 S2","S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C;CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c1;CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC","InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1","Thioridazine","2012-11-27","2020-06-17","10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine","2013-08-28"],["4OC","4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE","C11 H18 N3 O8 P","O=C1N=C(NC)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O;CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC;CNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)OC","InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1","","2006-08-24","2011-06-04","N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)",""],["LZV","ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate","C13 H20 N2 O3","CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3;CCOC(=O)C1CN2C(=O)CCN2C13CCCC3","InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1","","2019-03-15","2020-04-24","ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate","2020-04-29"],["4OD","N'-(3-bromophenyl)-4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide","C14 H9 Br F4 N2 O","FC(c1c(ccc(c1)/C(NO)=Nc2cc(Br)ccc2)F)(F)F;ONC(=Nc1cccc(Br)c1)c2ccc(F)c(c2)C(F)(F)F;c1cc(cc(c1)Br)N=C(c2ccc(c(c2)C(F)(F)F)F)NO","InChI=1S/C14H9BrF4N2O/c15-9-2-1-3-10(7-9)20-13(21-22)8-4-5-12(16)11(6-8)14(17,18)19/h1-7,22H,(H,20,21)","","2015-04-27","2015-07-31","N'-(3-bromophenyl)-4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide","2015-08-05"],["LZW","(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide","C18 H18 N2 O3 S","N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4;c1cc(ccc1C2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O","InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1","","2019-10-01","2020-10-09","(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide","2020-10-14"],["LZX","(2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide","C16 H19 N3 O3 S","O=C(Nc1cccnc1)C(CCNS(C)(=O)=O)c1ccccc1;C[S](=O)(=O)NCC[CH](C(=O)Nc1cccnc1)c2ccccc2;CS(=O)(=O)NCCC(c1ccccc1)C(=O)Nc2cccnc2","InChI=1S/C16H19N3O3S/c1-23(21,22)18-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-17-12-14/h2-8,10,12,15,18H,9,11H2,1H3,(H,19,20)/t15-/m1/s1","","2023-08-15","2023-11-03","(2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide","2023-11-08"],["4OE","5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole","C16 H9 F5 N2","FC(c1c(ccc(c1)c2cnnc2c3ccc(F)cc3)F)(F)F;Fc1ccc(cc1)c2[nH]ncc2c3ccc(F)c(c3)C(F)(F)F;c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F","InChI=1S/C16H9F5N2/c17-11-4-1-9(2-5-11)15-12(8-22-23-15)10-3-6-14(18)13(7-10)16(19,20)21/h1-8H,(H,22,23)","","2015-04-27","2015-07-31","5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole","2015-08-05"],["4OF","N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide","C27 H31 Cl F4 N6 O2 S","CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(cn2)C(F)(F)F)cc1F;CN1CCC(CC1)c2ccc(Nc3ncc(c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)C(F)(F)F)cc2F;CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F","InChI=1S/C27H31ClF4N6O2S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36)","","2021-07-13","2021-07-16","N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide","2021-07-21"],["LZY","8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one","C11 H13 F N2 O","CN1Cc2cc(F)ccc2NCCC1=O;CN1Cc2cc(ccc2NCCC1=O)F","InChI=1S/C11H13FN2O/c1-14-7-8-6-9(12)2-3-10(8)13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3","","2019-03-15","2020-04-24","8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one","2020-04-29"],["LZZ","(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one","C21 H32 O3","O=C(C4(O)C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C;CC(=O)[C]1(O)CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O","InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1","17-Hydroxypregnenolone","2013-11-15","2020-06-17","(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one","2014-10-22"],["4OG","3-(1-benzothiophen-3-yl)-L-alanine","C11 H11 N O2 S","c12scc(c1cccc2)CC(N)C(O)=O;N[CH](Cc1csc2ccccc12)C(O)=O;c1ccc2c(c1)c(cs2)CC(C(=O)O)N","InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1","","2015-04-28","2024-09-27","3-(1-benzothiophen-3-yl)-L-alanine","2016-03-02"],["M00","N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","C15 H19 N3 O3","O=C(NC(CC)CO)CCC2=Nc1c(cccc1)C(=O)N2;CC[CH](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1;CCC(CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1","InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1","","2013-06-17","2014-02-14","N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","2014-02-19"],["4OH","(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol","C18 H24 O4","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1[CH](O)[CH](O)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1C(C(C2O)O)O)O","InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1","Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol","2010-01-05","2021-03-13","(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol",""],["4OI","(1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide","C12 H12 N4 O","O=C(Nc1c[nH]nc1)[CH]2C[CH]2c3cccnc3;c1cc(cnc1)C2CC2C(=O)Nc3c[nH]nc3","InChI=1S/C12H12N4O/c17-12(16-9-6-14-15-7-9)11-4-10(11)8-2-1-3-13-5-8/h1-3,5-7,10-11H,4H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1","","2021-07-06","2021-12-03","(1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide","2021-12-08"],["M01","1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine","C11 H16 N6","n2cnc1c(ncn1)c2N3CCC(CC3)CN;NCC1CCN(CC1)c2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN","InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16)","","2008-02-08","2011-06-04","1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine",""],["M02","1-(9H-purin-6-yl)piperidin-4-amine","C10 H14 N6","n2cnc1c(ncn1)c2N3CCC(N)CC3;NC1CCN(CC1)c2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N","InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)","","2008-02-08","2011-06-04","1-(9H-purin-6-yl)piperidin-4-amine",""],["4OJ","(2-methylphenyl) dihydrogen phosphate","C7 H9 O4 P","O=P(O)(Oc1ccccc1C)O;Cc1ccccc1O[P](O)(O)=O;Cc1ccccc1OP(=O)(O)O","InChI=1S/C7H9O4P/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)","o-cresyl-phosphate","2012-09-30","2024-09-27","2-methylphenyl dihydrogen phosphate","2013-02-01"],["4OK","3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide","C24 H19 Cl2 N3 O3","c1(ccc2c(c1)c4c(n2)c(C(=O)N)cc(c3cc(Cl)c(cc3)Cl)c4)C(N5CCOCC5)=O;NC(=O)c1cc(cc2c1[nH]c3ccc(cc23)C(=O)N4CCOCC4)c5ccc(Cl)c(Cl)c5;c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl","InChI=1S/C24H19Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)","","2015-04-28","2015-05-29","3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide","2015-06-03"],["M03","1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine","C18 H20 Cl N5","Clc1ccc(cc1)C4(CCN(c2ncnc3c2ccn3)CC4)CN;NCC1(CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4;c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl","InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)","","2008-02-08","2011-06-04","1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",""],["M04","1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine","C19 H22 Cl N5","Clc1ccc(cc1)CC4(CCN(c2ncnc3c2ccn3)CC4)CN;NCC1(CCN(CC1)c2ncnc3[nH]ccc23)Cc4ccc(Cl)cc4;c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl","InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)","","2008-02-08","2011-06-04","1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",""],["4OL","N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]","C34 H38 N8 O12","C(=O)(C=1N(C(C=CC=1)=O)O)NCCCN(C(C2=CC=CC(=O)N2O)=O)CCCCN(C(=O)C=3N(C(C=CC=3)=O)O)CCCNC(=O)C4=CC=CC(N4O)=O;ON1C(=O)C=CC=C1C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O;C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O","InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-16,51-54H,1-2,7-8,17-22H2,(H,35,47)(H,36,48)","","2015-04-28","2015-07-31","N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]","2015-08-05"],["4ON","5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol","C18 H29 F O2","CCCC[CH](F)CCCC[CH](C)Cc1cc(O)cc(O)c1;CCCCC(CCCCC(C)Cc1cc(cc(c1)O)O)F","InChI=1S/C18H29FO2/c1-3-4-8-16(19)9-6-5-7-14(2)10-15-11-17(20)13-18(21)12-15/h11-14,16,20-21H,3-10H2,1-2H3/t14-,16+/m0/s1","","2021-08-03","2022-02-11","5-[(2~{S},7~{R})-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol","2022-02-16"],["M05","4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium","C18 H21 Cl N5","Clc1ccc(cc1)CC4(CCN(c2ncnc3c2ccn3)CC4)[NH3+];[NH3+]C1(CCN(CC1)c2ncnc3[nH]ccc23)Cc4ccc(Cl)cc4;c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl","InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)/p+1","","2008-02-08","2011-06-04","4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium",""],["4OO","4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine","C9 H11 N4 O2","N(=[N+]=N)c1ccc(CC(C(O)=O)N)cc1;N[CH](Cc1ccc(cc1)N=[N+]=N)C(O)=O;c1cc(ccc1CC(C(=O)O)N)N=[N+]=N","InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8,11H,5,10H2/p+1/t8-/m0/s1","","2015-04-29","2024-09-27","4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine","2015-09-16"],["M06","3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile","C20 H14 Cl N5 O2","N#Cc4cc(OC1=C(C=CN(C1=O)Cc2c3cccnc3nn2)C)cc(Cl)c4;CC1=C(Oc2cc(Cl)cc(c2)C#N)C(=O)N(Cc3[nH]nc4ncccc34)C=C1;CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N","InChI=1S/C20H14ClN5O2/c1-12-4-6-26(11-17-16-3-2-5-23-19(16)25-24-17)20(27)18(12)28-15-8-13(10-22)7-14(21)9-15/h2-9H,11H2,1H3,(H,23,24,25)","","2011-08-09","2011-10-21","3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile",""],["M07","(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL","C15 H19 N O7","N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccc(OC)cc3;COc1ccc(cc1)C2=NO[C]3(C2)O[CH](CO)[CH](O)[CH](O)[CH]3O;COc1ccc(cc1)C2=NOC3(C2)C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H19NO7/c1-21-9-4-2-8(3-5-9)10-6-15(23-16-10)14(20)13(19)12(18)11(7-17)22-15/h2-5,11-14,17-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1","(1R)-3'-(4-METHOXYPHENYL)-SPIRO[1,5-ANHYDRO-D-GLUCITOL-1,5'-ISOXAZOLINE]","2007-08-24","2021-03-13","(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol",""],["4OP","(2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium","C7 H14 N O3","O=C(O)C1[N+](C)(C)CC(O)C1;C[N+]1(C)C[CH](O)C[CH]1C(O)=O;C[N+]1(CC(CC1C(=O)O)O)C","InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/p+1/t5-,6-/m1/s1","CIS-4OH-D-PROLINE BETAINE","2013-01-30","2020-06-17","(2R,4R)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium","2013-02-08"],["M08","(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol","C14 H17 N O6","N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccccc3;OC[CH]1O[C]2(CC(=NO2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C2=NOC3(C2)C(C(C(C(O3)CO)O)O)O","InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,10-13,16-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1","(1R)-3'-phenylspiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]","2007-08-24","2021-03-13","(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol",""],["4OQ","2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine","C20 H22 Cl F N4","C(C)N3c1ccc(cc1N=C(c2c3ccc(Cl)c2)N4CCN(C)CC4)F;CCN1c2ccc(F)cc2N=C(N3CCN(C)CC3)c4cc(Cl)ccc14;CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl","InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3","","2015-04-29","2015-06-19","2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","2015-06-24"],["4OR","(S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide","C24 H29 Cl F N5 O","C(C)N3c1ccc(cc1N=C(c2c3ccc(c2)Cl)NC4CN(CC4)C(=O)NC(C)(C)C)F;CCN1c2ccc(F)cc2N=C(N[CH]3CCN(C3)C(=O)NC(C)(C)C)c4cc(Cl)ccc14;CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)NC4CCN(C4)C(=O)NC(C)(C)C)Cl","InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1","","2015-04-29","2015-06-19","(3S)-N-tert-butyl-3-[(2-chloro-5-ethyl-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino]pyrrolidine-1-carboxamide","2015-06-24"],["M09","(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol","C14 H18 N2 O8","[O-][N+](=O)c1ccc(cc1)C3NOC2(OC(C(O)C(O)C2O)CO)C3;OC[CH]1O[C]2(C[CH](NO2)c3ccc(cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C2CC3(C(C(C(C(O3)CO)O)O)O)ON2)[N+](=O)[O-]","InChI=1S/C14H18N2O8/c17-6-10-11(18)12(19)13(20)14(23-10)5-9(15-24-14)7-1-3-8(4-2-7)16(21)22/h1-4,9-13,15,17-20H,5-6H2/t9-,10+,11+,12-,13+,14+/m0/s1","(1R)-3'-(4-nitrophenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]","2007-09-04","2021-03-13","(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",""],["M0A","1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine","C22 H25 N5","CCCCc1nc2c(N)nc3ccccc3c2n1Cc4cccc(CN)c4;CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N","InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)","","2015-07-07","2015-09-18","1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine","2015-09-23"],["4OS","4-methoxybenzenesulfonic acid","C7 H8 O4 S","O=S(=O)(O)c1ccc(OC)cc1;COc1ccc(cc1)[S](O)(=O)=O;COc1ccc(cc1)S(=O)(=O)O","InChI=1S/C7H8O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H,8,9,10)","","2011-06-06","2012-01-13","4-methoxybenzenesulfonic acid",""],["4OT","[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone","C24 H21 F N4 O2 S","C(C1CCCN1C(c2c(sc(C)n2)c3c(cccc3)F)=O)c4oc(nn4)c5ccccc5;Cc1sc(c2ccccc2F)c(n1)C(=O)N3CCC[CH]3Cc4oc(nn4)c5ccccc5;Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCCC3Cc4nnc(o4)c5ccccc5","InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1","","2015-04-29","2016-03-04","[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone","2016-03-09"],["M0B","2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine","C21 H20 F3 N3 O2","CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4;Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F","InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3","","2019-10-01","2019-10-04","2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine","2019-10-09"],["4OU","4-(acryloylamino)-L-phenylalanine","C12 H14 N2 O3","c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N;N[CH](Cc1ccc(NC(=O)C=C)cc1)C(O)=O;C=CC(=O)Nc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1","","2015-04-29","2024-09-27","4-(acryloylamino)-L-phenylalanine","2015-05-20"],["M0C","(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C27 H40 F3 N5 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)N4CCC4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(C(=O)N4CCC4)O)C","InChI=1S/C27H40F3N5O6/c1-25(2,3)19(33-24(41)27(28,29)30)23(40)35-12-14-16(26(14,4)5)17(35)21(38)32-15(11-13-7-8-31-20(13)37)18(36)22(39)34-9-6-10-34/h13-19,36H,6-12H2,1-5H3,(H,31,37)(H,32,38)(H,33,41)/t13-,14-,15-,16-,17-,18+,19+/m0/s1","","2022-03-10","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-09-06"],["4OV","(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C19 H24 N4 O7 S","C(O)(=O)C1=C(C)CSC(N1)C(C(=O)OCC(C(O)=O)N)NC(C(N)c2ccccc2)=O;CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(=O)OC[CH](N)C(O)=O)C(O)=O;CC1=C(NC(SC1)C(C(=O)OCC(C(=O)O)N)NC(=O)C(c2ccccc2)N)C(=O)O","InChI=1S/C19H24N4O7S/c1-9-8-31-16(23-13(9)18(27)28)14(19(29)30-7-11(20)17(25)26)22-15(24)12(21)10-5-3-2-4-6-10/h2-6,11-12,14,16,23H,7-8,20-21H2,1H3,(H,22,24)(H,25,26)(H,27,28)/t11-,12+,14-,16+/m0/s1","","2015-04-29","2024-09-27","(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2015-05-20"],["M0D","2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide","C16 H19 N3 O2","N4(C1CC(c3c(C1)c2c(cccc2)n3)C(C4)O)CC(N)=O;NC(=O)CN1C[CH](O)[CH]2C[CH]1Cc3c2[nH]c4ccccc34;c1ccc2c(c1)c3c([nH]2)C4CC(C3)N(CC4O)CC(=O)N","InChI=1S/C16H19N3O2/c17-15(21)8-19-7-14(20)12-6-9(19)5-11-10-3-1-2-4-13(10)18-16(11)12/h1-4,9,12,14,18,20H,5-8H2,(H2,17,21)/t9-,12+,14-/m0/s1","","2019-03-15","2020-04-24","2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide","2020-04-29"],["4OW","N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide","C27 H34 Cl F N6 O2 S","CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(C)cn2)cc1F;CN1CCC(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C","InChI=1S/C27H34ClFN6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33)","","2021-07-13","2021-07-16","N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide","2021-07-21"],["M0E","MOENOMYCIN","C69 H106 N5 O34 P","O=C(NC1=C(O)C=CC1=O)C6OC(OC2C(O)C(NC(=O)C)C(OC2C)OC4C(OC(OC3C(OC(=O)N)C(O)(C)C(OC3OP(=O)(O)OCC(OCC=C(/C)CC/C=C/C(C)(C)CCC(=C)/CC=C(/C)CCC=C(/C)C)C(=O)O)C(=O)N)C(NC(=O)C)C4O)COC5OC(C(O)C(O)C5O)CO)C(O)C(O)C6O;C[CH]1O[CH](O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)O[CH]4[CH](O[CH](C(N)=O)[C](C)(O)[CH]4OC(N)=O)O[P](O)(=O)OC[CH](OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(O)=O)[CH](NC(C)=O)[CH](O)[CH]1O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(=O)NC6=C(O)C=CC6=O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)NC(=O)C)OC3C(C(C(OC3OP(=O)(O)OCC(C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)COC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)O)OC5C(C(C(C(O5)C(=O)NC6=C(C=CC6=O)O)O)O)O","InChI=1S/C69H106N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,20-21,23-24,34,39-41,43-58,62-66,75,80-87,93H,5,12,14,16-17,19,22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,90,91)(H,94,95)(H2,74,78,79,89)/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1","MOENOMYCIN","2007-02-12","2021-03-01","(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4-hydroxy-6-methyl-5-({(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)carbamoyl]tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-[(3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl)oxy]propanoic acid (non-preferred name)",""],["M0F","4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid","C16 H12 O4","OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1;c1cc(ccc1Cc2coc3c2ccc(c3)O)C(=O)O","InChI=1S/C16H12O4/c17-13-5-6-14-12(9-20-15(14)8-13)7-10-1-3-11(4-2-10)16(18)19/h1-6,8-9,17H,7H2,(H,18,19)","","2022-07-18","2023-01-27","4-[(6-oxidanyl-1-benzofuran-3-yl)methyl]benzoic acid","2023-02-01"],["4OX","4-OXODECANEDIOIC ACID","C10 H16 O5","O=C(O)CCC(=O)CCCCCC(=O)O;OC(=O)CCCCCC(=O)CCC(O)=O;C(CCC(=O)CCC(=O)O)CCC(=O)O","InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)","4-OXOSEBACIC ACID","2001-08-01","2024-09-27","4-oxodecanedioic acid",""],["M0G","(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide","C16 H17 Cl N2 O2","O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1;CC[C](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2;CCC(c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O","InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1","","2023-08-15","2023-11-03","(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide","2023-11-08"],["4OY","2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid","C22 H19 N O3 S","OC(=O)c1c(NC(=O)c2ccccc2)scc1[CH]3CCc4ccccc4C3;c1ccc(cc1)C(=O)Nc2c(c(cs2)C3CCc4ccccc4C3)C(=O)O","InChI=1S/C22H19NO3S/c24-20(15-7-2-1-3-8-15)23-21-19(22(25)26)18(13-27-21)17-11-10-14-6-4-5-9-16(14)12-17/h1-9,13,17H,10-12H2,(H,23,24)(H,25,26)/t17-/m0/s1","","2021-07-07","2022-05-20","2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid","2022-05-25"],["M0H","S-(HYDROXYMETHYL)-L-CYSTEINE","C4 H9 N O3 S","O=C(O)C(N)CSCO;N[CH](CSCO)C(O)=O;C(C(C(=O)O)N)SCO","InChI=1S/C4H9NO3S/c5-3(4(7)8)1-9-2-6/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1","","2007-04-30","2024-09-27","S-(hydroxymethyl)-L-cysteine",""],["4OZ","methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate","C12 H13 N O7","COC(C(COC=O)NC(c1c(c(ccc1)O)O)=O)=O;COC(=O)[CH](COC=O)NC(=O)c1cccc(O)c1O;COC(=O)C(COC=O)NC(=O)c1cccc(c1O)O","InChI=1S/C12H13NO7/c1-19-12(18)8(5-20-6-14)13-11(17)7-3-2-4-9(15)10(7)16/h2-4,6,8,15-16H,5H2,1H3,(H,13,17)/t8-/m0/s1","","2015-04-29","2015-07-31","methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate","2015-08-05"],["M0I","4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide","C26 H27 F N4 O4","CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1;CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO;CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3","InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33)","","2022-03-10","2022-11-18","4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide","2022-11-23"],["4P0","1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone","C10 H15 N O","C(C)(C=1C2CCC(CCC=1)N2)=O;CC(=O)C1=CCC[CH]2CC[CH]1N2;CC(=O)C1=CCCC2CCC1N2","InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1","","2015-04-30","2015-05-08","1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone","2015-05-13"],["M0J","N-[(2S)-2-hydroxypropyl]-N'-phenylurea","C10 H14 N2 O2","N(C(=O)NCC(O)C)c1ccccc1;C[CH](O)CNC(=O)Nc1ccccc1;CC(CNC(=O)Nc1ccccc1)O","InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1","","2019-03-15","2020-04-10","N-[(2S)-2-hydroxypropyl]-N'-phenylurea","2020-04-15"],["4P1","4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide","C24 H19 Cl2 F N2 O2","C(=O)(c1c(cccc1Cl)F)N2c3c(CCC2)cc(cc3)c4cc(ccc4Cl)C(=O)NC;CNC(=O)c1ccc(Cl)c(c1)c2ccc3N(CCCc3c2)C(=O)c4c(F)cccc4Cl;CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl","InChI=1S/C24H19Cl2FN2O2/c1-28-23(30)16-7-9-18(25)17(13-16)14-8-10-21-15(12-14)4-3-11-29(21)24(31)22-19(26)5-2-6-20(22)27/h2,5-10,12-13H,3-4,11H2,1H3,(H,28,30)","","2015-04-30","2015-06-12","4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide","2015-06-17"],["4P2","(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide","C41 H53 N5 O8 S","O=S(=O)(NC(=O)C7(NC(=O)C1N2C(=O)C(NC(=O)OC5CCCC5CCCCCc3nc4c(cc3OC(C1)C2)cccc4)C6CCCC6)CC7/C=C)C8CC8;C=C[CH]1C[C]1(NC(=O)[CH]2C[CH]3C[N]2C(=O)[CH](NC(=O)O[CH]4CCC[CH]4CCCCCc5nc6ccccc6cc5O3)C7CCCC7)C(=O)N[S](=O)(=O)C8CC8;C=CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8","InChI=1S/C41H53N5O8S/c1-2-28-23-41(28,39(49)45-55(51,52)30-19-20-30)44-37(47)33-22-29-24-46(33)38(48)36(26-12-6-7-13-26)43-40(50)54-34-18-10-15-25(34)11-4-3-5-17-32-35(53-29)21-27-14-8-9-16-31(27)42-32/h2,8-9,14,16,21,25-26,28-30,33-34,36H,1,3-7,10-13,15,17-20,22-24H2,(H,43,50)(H,44,47)(H,45,49)/t25-,28-,29-,33+,34-,36+,41-/m1/s1","","2013-11-22","2019-01-25","(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide","2019-01-30"],["M0K","2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid","C13 H14 F N O4","OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2;c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2","InChI=1S/C13H14FNO4/c14-9-3-4-10(11(5-9)19-7-12(16)17)13(18)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,18)(H,16,17)","","2019-10-01","2020-10-09","2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid","2020-10-14"],["4P3","6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide","C23 H16 Cl2 F4 N2 O3","O=C(c1ccc(Cl)c(c1)c2ccc(c(c2)OCC(F)(F)F)N(C(c3c(cccc3F)Cl)=O)C)N;CN(C(=O)c1c(F)cccc1Cl)c2ccc(cc2OCC(F)(F)F)c3cc(ccc3Cl)C(N)=O;CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F","InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)","","2015-04-30","2015-06-12","6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide","2015-06-17"],["M0L","4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one","C31 H30 Cl2 N4 O4","COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3=C)c4ccc(Cl)cc4)c5ccc(Cl)cc5;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3=C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC","InChI=1S/C31H30Cl2N4O4/c1-18(2)41-26-17-24(40-4)13-14-25(26)29-35-27(20-5-9-22(32)10-6-20)28(21-7-11-23(33)12-8-21)37(29)31(39)36-16-15-34-30(38)19(36)3/h5-14,17-18,27-28H,3,15-16H2,1-2,4H3,(H,34,38)/t27-,28+/m0/s1","Nutlin-3a analogue; 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one","2022-07-20","2023-01-13","4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one","2023-01-18"],["4P4","8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide","C22 H20 F N5 O2","c1c(F)cccc1c5nc2c(c(cnc2N)C(NC4CN(C(=O)C3CC3)C4)=O)cc5;Nc1ncc(C(=O)NC2CN(C2)C(=O)C3CC3)c4ccc(nc14)c5cccc(F)c5;c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5","InChI=1S/C22H20FN5O2/c23-14-3-1-2-13(8-14)18-7-6-16-17(9-25-20(24)19(16)27-18)21(29)26-15-10-28(11-15)22(30)12-4-5-12/h1-3,6-9,12,15H,4-5,10-11H2,(H2,24,25)(H,26,29)","GNE-495","2015-04-30","2020-06-17","8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide","2015-09-02"],["M0M","(8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one","C13 H21 N5 O2 S2","C1COCCN1CCSC3NC2=C(C(N(C(=O)N2C)C)=S)N3;CN1C(=O)N(C)C2=C(N[CH](N2)SCCN3CCOCC3)C1=S;CN1C2=C(C(=S)N(C1=O)C)NC(N2)SCCN3CCOCC3","InChI=1S/C13H21N5O2S2/c1-16-10-9(11(21)17(2)13(16)19)14-12(15-10)22-8-5-18-3-6-20-7-4-18/h12,14-15H,3-8H2,1-2H3/t12-/m0/s1","","2019-03-18","2019-12-20","(8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one","2019-12-25"],["M0N","(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","C9 H12 N2 O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12;OC(Cc1cnc2ccccn12)([P](O)(O)=O)[P](O)(O)=O;c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)","MINODRONATE; 1-HYDROXY-2-(5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-3-YL)ETHANE-1,1-DIYLDIPHOSPONIC ACID;\n(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YL-ETHYLIDENE)-1,1-BISPHOSPHONIC ACID","2005-11-10","2020-06-17","(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)",""],["4P5","4H-furo[3,2-b]pyrrole-5-carboxylic acid","C7 H5 N O3","O=C(O)c2cc1occc1n2;OC(=O)c1[nH]c2ccoc2c1;c1coc2c1[nH]c(c2)C(=O)O","InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)","","2008-04-29","2011-06-04","4H-furo[3,2-b]pyrrole-5-carboxylic acid",""],["M0O","(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17R)-3-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol","C54 H92 O24","C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(C)(C)O)[CH]4CC[C]5(C)[CH]6CC=C7[CH](CC[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)C7(C)C)[C]6(C)[CH](O)C[C]45C;CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)CO)O)O)O)C)O)C)C","InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23+,25+,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,52-,53+,54-/m0/s1","","2022-12-20","2024-05-24","(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{S},3~{S},4~{S},5~{R},6~{S})-5-[(2~{S},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3~{R},6~{S})-6-[(3~{S},8~{S},9~{R},10~{R},11~{S},13~{R},14~{S},17~{R})-3-[(2~{S},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol","2024-05-29"],["4P6","(3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine","C15 H14 N2 S","c1cncc(c1)C=2/C(CCCN=2)=C/c3cccs3;C1CN=C(C(C1)=Cc2sccc2)c3cccnc3;c1cc(cnc1)C2=NCCCC2=Cc3cccs3","InChI=1S/C15H14N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11H,2,4,8H2/b12-10+","2-thiophenylmethylene anabaseine","2015-04-30","2020-06-17","(3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine","2015-05-13"],["4P7","(3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine","C15 H15 N3","c1cc(cnc1)C=3C(=Cc2ccnc2)CCCN=3;C1CN=C(C(C1)=Cc2c[nH]cc2)c3cccnc3;c1cc(cnc1)C2=NCCCC2=Cc3cc[nH]c3","InChI=1S/C15H15N3/c1-4-14(11-16-6-1)15-13(3-2-7-18-15)9-12-5-8-17-10-12/h1,4-6,8-11,17H,2-3,7H2/b13-9+","3-pyrrolylmethylene anabaseine","2015-04-30","2020-06-17","(3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine","2015-05-13"],["M0P","1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione","C13 H19 N5 O3 S","C1COCCN1CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3;CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CCOCC3;CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C","InChI=1S/C13H19N5O3S/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)22-8-5-18-3-6-21-7-4-18/h3-8H2,1-2H3,(H,14,15)","","2019-03-18","2019-12-20","1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione","2019-12-25"],["M0Q","~{N}-methyl-1,6-naphthyridin-4-amine","C9 H9 N3","CNc1ccnc2ccncc12;CNc1ccnc2c1cncc2","InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12)","","2019-10-02","2020-02-28","~{N}-methyl-1,6-naphthyridin-4-amine","2020-03-04"],["4P8","5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde","C14 H10 Cl N O4","O=Cc1c(O)c([N+](=O)[O-])cc(c1)Cc2c(Cl)cccc2;Oc1c(C=O)cc(Cc2ccccc2Cl)cc1[N+]([O-])=O;c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl","InChI=1S/C14H10ClNO4/c15-12-4-2-1-3-10(12)5-9-6-11(8-17)14(18)13(7-9)16(19)20/h1-4,6-8,18H,5H2","","2015-05-01","2015-05-08","5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde","2015-05-13"],["4P9","4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol","C13 H11 Cl N2 O3","c1cc(Cl)ccc1NN=[C@H]c2c(c(c(cc2)O)O)O;Oc1ccc(C=NNc2ccc(Cl)cc2)c(O)c1O;c1cc(ccc1NN=Cc2ccc(c(c2O)O)O)Cl","InChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+","","2015-05-01","2015-05-08","4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol","2015-05-13"],["M0R","19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine","C21 H22 Cl N3 O5","Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1;COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOCCOc1cc23;COc1cc2c3cc1OCCOCCOCCOc4ccc(cc4Nc3ncn2)Cl","InChI=1S/C21H22ClN3O5/c1-26-19-12-16-15-11-20(19)30-9-7-28-5-4-27-6-8-29-18-3-2-14(22)10-17(18)25-21(15)24-13-23-16/h2-3,10-13H,4-9H2,1H3,(H,23,24,25)","","2022-03-11","2022-11-18","19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine","2022-11-23"],["4PA","PROPYL ACETATE","C5 H10 O2","O=C(OCCC)C;CCCOC(C)=O;CCCOC(=O)C","InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3","","2004-07-05","2024-09-27","propyl acetate",""],["M0S","1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one","C13 H19 N5 O S2","c12C(N(C(=O)N(C)c1nc(n2)SCCN3CCCC3)C)=S;CN1C(=O)N(C)c2[nH]c(SCCN3CCCC3)nc2C1=S;CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C","InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)","","2019-03-18","2019-12-20","1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one","2019-12-25"],["M0T","1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide","C25 H23 Cl2 N3 O","Clc1ccc(cc1Cl)Cn2c3ccc(cc3nc2C)C(=O)NC(c4ccccc4)CC;CC[CH](NC(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)c(C)nc2c1)c4ccccc4;CCC(c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C","InChI=1S/C25H23Cl2N3O/c1-3-22(18-7-5-4-6-8-18)29-25(31)19-10-12-24-23(14-19)28-16(2)30(24)15-17-9-11-20(26)21(27)13-17/h4-14,22H,3,15H2,1-2H3,(H,29,31)/t22-/m1/s1","","2010-05-14","2012-06-01","1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide",""],["4PB","N-HYDROXY-4-PHOSPHONO-BUTANAMIDE","C4 H8 N O5 P","[O-]P([O-])(=O)CCCC(=O)NO;ONC(=O)CCC[P]([O-])([O-])=O;C(CC(=O)NO)CP(=O)([O-])[O-]","InChI=1S/C4H10NO5P/c6-4(5-7)2-1-3-11(8,9)10/h7H,1-3H2,(H,5,6)(H2,8,9,10)/p-2","","1999-07-08","2011-06-04","[4-(hydroxyamino)-4-oxobutyl]phosphonate",""],["4PC","3-(2'-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3,7-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE","C12 H16 N3 O7 P","O=C1N=C3C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C=C(N3)C;CC1=CC2=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)N=C2N1;CC1=CC2=CN(C(=O)N=C2N1)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","2006-04-18","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one",""],["M0U","1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide","C28 H37 N5 O3","CCNC(=O)c1nnn(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CNCC4CCCCC4)cc3;CCNC(=O)c1c(n(nn1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CNCC4CCCCC4","InChI=1S/C28H37N5O3/c1-4-30-28(36)26-27(33(32-31-26)23-14-22(18(2)3)24(34)15-25(23)35)21-12-10-20(11-13-21)17-29-16-19-8-6-5-7-9-19/h10-15,18-19,29,34-35H,4-9,16-17H2,1-3H3,(H,30,36)","","2022-07-20","2022-09-02","1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide","2022-09-07"],["4PD","3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-1,3-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE","C12 H16 N3 O7 P","O=C2NC1=NC(=CC1=CN2C3OC(C(O)C3)COP(=O)(O)O)C;CC1=CC2=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)NC2=N1;CC1=CC2=CN(C(=O)NC2=N1)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","2006-04-18","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one",""],["M0V","7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","C14 H21 N5 O4","O=C2N(C)C(=O)c3n(CC(O)CN1CCOCC1)cnc3N2C;CN1C(=O)N(C)c2ncn(C[CH](O)CN3CCOCC3)c2C1=O;CN1c2c(n(cn2)CC(CN3CCOCC3)O)C(=O)N(C1=O)C","InChI=1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3/t10-/m0/s1","","2019-03-18","2019-12-20","7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","2019-12-25"],["M0W","~{N}-methylquinazolin-4-amine","C9 H9 N3","CNc1ncnc2ccccc12;CNc1c2ccccc2ncn1","InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12)","","2019-10-02","2020-02-28","~{N}-methylquinazolin-4-amine","2020-03-04"],["4PE","3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3H-PYRROLO[2,3-D]PYRIMIDIN-2-OL","C12 H16 N3 O7 P","O=P(O)(O)OCC3OC(N2C(=NC1=NC(=CC1=C2)C)O)CC3O;Cc1cc2cn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c(O)nc2n1;Cc1cc-2cn(c(nc2n1)O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","2006-04-18","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-2-ol",""],["M0X","2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide","C21 H21 N5 O S","O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C;CN(C)c1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34;CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C21H21N5OS/c1-24(2)17-7-9-18(10-8-17)25(13-16-11-12-28-15-16)21(27)14-26-20-6-4-3-5-19(20)22-23-26/h3-12,15H,13-14H2,1-2H3","","2023-08-15","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide","2023-11-08"],["4PF","(2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine","C9 H21 N O3","COCCOC(C)COCC(C)N;COCCO[CH](C)COC[CH](C)N;CC(COCC(C)OCCOC)N","InChI=1S/C9H21NO3/c1-8(10)6-12-7-9(2)13-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9-/m1/s1","","2015-05-01","2015-07-10","(2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine","2015-07-15"],["4PG","1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine","C15 H15 N3 O","O=C(c1ccccc1)Cc2ccc(NC(=[N@H])N)cc2;NC(=N)Nc1ccc(CC(=O)c2ccccc2)cc1;[H]N=C(N)Nc1ccc(cc1)CC(=O)c2ccccc2","InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)","","2007-08-29","2011-06-04","1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine",""],["M0Y","4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide","C15 H13 N5 O2","O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cccc3;NC(=O)Nc1cn(nc1C(N)=O)c2cccc3ccccc23;c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N","InChI=1S/C15H13N5O2/c16-14(21)13-11(18-15(17)22)8-20(19-13)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,21)(H3,17,18,22)","","2013-08-09","2014-03-28","4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide","2014-04-02"],["4PH","4-methyl-L-phenylalanine","C10 H13 N O2","O=C(O)C(N)Cc1ccc(cc1)C;Cc1ccc(C[CH](N)C(O)=O)cc1;Cc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1","","2008-01-18","2024-09-27","4-methyl-L-phenylalanine",""],["M0Z","4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide","C16 H15 N5 O3","O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC)cc3;COc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1;COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N","InChI=1S/C16H15N5O3/c1-24-10-6-5-9-3-2-4-13(11(9)7-10)21-8-12(19-16(18)23)14(20-21)15(17)22/h2-8H,1H3,(H2,17,22)(H3,18,19,23)","","2013-08-09","2014-03-28","4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide","2014-04-02"],["M10","(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI)","Mo3 O13","[O-][Mo]|12([O-])([O-])O[Mo]3([O-])([O-])([O-])O|1[Mo]([O-])([O-])(=O)(O2)O3;[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-]","InChI=1S/3Mo.13O/q;;;;;;;;8*-1","Trimolybdate [Mo(VI)3O13]8-","2014-05-22","2025-11-11","","2014-08-13"],["4PI","N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE","C20 H23 N O","O=C(c1ccc(cc1)C)N3CCC(Cc2ccccc2)CC3;Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3;Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3","InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3","(4-BENZYLPIPERIDIN-1-YL)(P-TOLYL)METHANONE","2006-11-07","2021-03-01","4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine",""],["4PJ","2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol","C36 H57 F O4","CCCC[CH](F)CCCC[CH](C)Cc1cc(O)c([CH](CCCC)CCCC[CH](C)Cc2cc(O)cc(O)c2)c(O)c1;CCCCC(CCCCC(C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)CC(C)CCCCC(CCCC)F)O","InChI=1S/C36H57FO4/c1-5-7-15-30(16-11-9-13-26(3)19-28-21-32(38)25-33(39)22-28)36-34(40)23-29(24-35(36)41)20-27(4)14-10-12-18-31(37)17-8-6-2/h21-27,30-31,38-41H,5-20H2,1-4H3/t26-,27-,30-,31+/m0/s1","","2021-08-03","2022-02-11","2-[(5~{S},10~{S})-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2~{S},7~{R})-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol","2022-02-16"],["M11","N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine","C15 H26 N2 O7 S","O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)C(S)C;CC(C)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)[CH](C)S)C(O)=O;CC(C)C(C(=O)O)OC(=O)C(C(C)S)NC(=O)CCCC(C(=O)O)N","InChI=1S/C15H26N2O7S/c1-7(2)12(14(21)22)24-15(23)11(8(3)25)17-10(18)6-4-5-9(16)13(19)20/h7-9,11-12,25H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)/t8-,9-,11-,12+/m0/s1","","2007-09-25","2011-06-04","N~6~-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine",""],["4PK","N-[(benzyloxy)carbonyl]-O-carbamimidamido-L-homoseryl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-L-valinamide","C34 H51 N7 O7","c2c(COC(=O)NC(C(NC(C(C)C)C(=O)NC(C(O)CC(=O)NCCc1ccccc1)CC(C)C)=O)CCONC(=N)N)cccc2;CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](CCONC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[CH](O)CC(=O)NCCc2ccccc2;CC(C)CC(C(CC(=O)NCCc1ccccc1)O)NC(=O)C(C(C)C)NC(=O)C(CCONC(=N)N)NC(=O)OCc2ccccc2","InChI=1S/C34H51N7O7/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41)/t26-,27-,28-,30-/m0/s1","","2015-05-01","2015-07-10","N-[(benzyloxy)carbonyl]-O-carbamimidamido-L-homoseryl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-L-valinamide","2015-07-15"],["M12","10-METHYLUNDECANOIC ACID","C12 H24 O2","O=C(O)CCCCCCCCC(C)C;CC(C)CCCCCCCCC(O)=O;CC(C)CCCCCCCCC(=O)O","InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)","","2010-07-29","2025-05-08","10-methylundecanoic acid",""],["M14","2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide","C21 H14 Cl3 N3 O5 S","Clc3cc(ccc3NC(=O)COc2cc(Oc1cc(C#N)cc(Cl)c1)cc(Cl)c2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1;c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N","InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)","N-[4-(aminosulfonyl)-2-chlorophenyl]-2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetamide","2008-02-07","2020-06-17","2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide",""],["4PL","7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one","C8 H7 N O3","O=C1OCc2c1c(O)c(nc2)C;Cc1ncc2COC(=O)c2c1O;Cc1c(c2c(cn1)COC2=O)O","InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3","4-Pyridoxolactone","2011-05-18","2020-06-17","7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one",""],["M15","{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid","C16 H12 Cl F I N O4","O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2F;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(I)cc2F;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I","InChI=1S/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)","","2013-07-16","2014-04-25","{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid","2014-04-30"],["4PN","4-PIPERIDINO-PIPERIDINE","C10 H20 N2","N2CCC(N1CCCCC1)CC2;C1CCN(CC1)C2CCNCC2;C1CCN(CC1)C2CCNCC2","InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2","","2001-10-23","2011-06-04","1,4'-bipiperidine",""],["M16","7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine","C18 H19 N3","NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2;Cc1cc(N)nc2cc(ccc12)c3ccc(CCN)cc3;Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N","InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)","","2019-07-03","2020-04-24","7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine","2020-04-29"],["4PO","alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone","C10 H14 N2 O2","CC(C)(C)[N+]([O-])=Cc1cc[n+]([O-])cc1;CC(C)(C)[N+](=Cc1cc[n+](cc1)[O-])[O-]","InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-","4-POBN","2010-01-21","2020-06-17","N-tert-butyl-1-(1-oxidanidylpyridin-1-ium-4-yl)methanimine oxide",""],["M17","methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","C44 H59 N5 O6","O=C(NC/C=C)C(NC(=O)C(O)(Cc1ccc(cc1)CC=C)CCCN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccc3)C(C)C;COC(=O)N[CH](C(=O)NN(CCC[C](O)(Cc1ccc(CC=C)cc1)C(=O)N[CH](C(C)C)C(=O)NCC=C)Cc2ccc(cc2)c3ccccc3)C(C)(C)C;CC(C)C(C(=O)NCC=C)NC(=O)C(CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O","InChI=1S/C44H59N5O6/c1-9-15-32-18-20-33(21-19-32)29-44(54,41(52)46-37(31(3)4)39(50)45-27-10-2)26-14-28-49(48-40(51)38(43(5,6)7)47-42(53)55-8)30-34-22-24-36(25-23-34)35-16-12-11-13-17-35/h9-13,16-25,31,37-38,54H,1-2,14-15,26-30H2,3-8H3,(H,45,50)(H,46,52)(H,47,53)(H,48,51)/t37-,38+,44+/m0/s1","","2014-01-28","2014-12-05","methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","2014-12-10"],["4PP","(2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID","C23 H24 N4 O2","O=C(O)C(c2cccc(c1cc(C(=[N@H])N)ccc1)c2)CCCNc3ccncc3;NC(=N)c1cccc(c1)c2cccc(c2)[CH](CCCNc3ccncc3)C(O)=O;c1cc(cc(c1)C(CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N","InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-(3'-carbamimidoylbiphenyl-3-yl)-5-(pyridin-4-ylamino)pentanoic acid",""],["4PQ","5-hydroxy-L-tryptophan","C11 H12 N2 O3","NC(C(=O)O)Cc1cnc2ccc(cc12)O;N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O;c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1","Oxitriptan","2015-05-01","2024-09-27","5-hydroxy-L-tryptophan","2017-01-11"],["M18","{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate","C20 H27 Cl N2 O5","O=C(N1CCCC1COC(=O)Cc2cccc(Cl)c2)CNC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NCC(=O)N1CCC[CH]1COC(=O)Cc2cccc(Cl)c2;CC(C)(C)OC(=O)NCC(=O)N1CCCC1COC(=O)Cc2cccc(c2)Cl","InChI=1S/C20H27ClN2O5/c1-20(2,3)28-19(26)22-12-17(24)23-9-5-8-16(23)13-27-18(25)11-14-6-4-7-15(21)10-14/h4,6-7,10,16H,5,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1","(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester","2008-09-11","2021-03-01","{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate",""],["M19","4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol","C15 H11 Cl F N3 O3","Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F;COc1cc2ncnc(Nc3cc(Cl)c(F)cc3O)c2cc1O;COc1cc2c(cc1O)c(ncn2)Nc3cc(c(cc3O)F)Cl","InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20)","","2022-03-11","2022-11-18","4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol","2022-11-23"],["4PR","(3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE","C28 H41 N5 O6","O=C(Nc1c(onc1C)C)N3CC(C)(C)C(OC(=O)NC(C(O)C(=O)NC(c2ccccc2)C)CCCC)C3;CCCC[CH](NC(=O)O[CH]1CN(CC1(C)C)C(=O)Nc2c(C)onc2C)[CH](O)C(=O)N[CH](C)c3ccccc3;CCCCC(C(C(=O)NC(C)c1ccccc1)O)NC(=O)OC2CN(CC2(C)C)C(=O)Nc3c(noc3C)C","InChI=1S/C28H41N5O6/c1-7-8-14-21(24(34)25(35)29-17(2)20-12-10-9-11-13-20)30-27(37)38-22-15-33(16-28(22,5)6)26(36)31-23-18(3)32-39-19(23)4/h9-13,17,21-22,24,34H,7-8,14-16H2,1-6H3,(H,29,35)(H,30,37)(H,31,36)/t17-,21+,22-,24+/m1/s1","","2005-11-08","2024-09-27","(3S)-1-[(3,5-dimethylisoxazol-4-yl)carbamoyl]-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[(1S)-1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate",""],["4PS","4'-diphospho pantetheine","C11 H24 N2 O10 P2 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H24N2O10P2S/c1-11(2,7-22-25(20,21)23-24(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-26/h9,15,26H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H,20,21)(H2,17,18,19)/t9-/m0/s1","N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-N-(2-sulfanylethyl)-beta-alaninamide","2009-10-26","2021-03-13","N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",""],["M1A","6-AMINO-1-METHYLPURINE","C6 H8 N5","n1c[n+](c(c2ncnc12)N)C;C[n+]1cnc2[nH]cnc2c1N;C[n+]1cnc2c(c1N)nc[nH]2","InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)/p+1","","1999-07-08","2011-06-04","6-amino-1-methyl-9H-purin-1-ium",""],["4PT","(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY\nBUTOXY)PROPYL BUTYRATE","C17 H36 O22 P4","O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)OCC(OC(O)CCC)COC(=O)CCC)C(O)C1OP(=O)(O)O)(O)O;CCCC(O)O[CH](COC(=O)CCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O;CCCC(O)OC(COC(=O)CCC)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C17H36O22P4/c1-3-5-10(18)33-7-9(35-11(19)6-4-2)8-34-43(31,32)39-14-12(20)15(36-40(22,23)24)17(38-42(28,29)30)16(13(14)21)37-41(25,26)27/h9,11-17,19-21H,3-8H2,1-2H3,(H,31,32)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t9-,11?,12+,13+,14-,15+,16-,17-/m1/s1","DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE","2004-06-21","2020-06-17","(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxybutoxy)propyl butanoate",""],["M1B","2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE","C21 H18 N6","[N@H]=C(N)c1cc(ccc1)c4ccc(c3nc2cc(ccc2n3)C(=[N@H])N)cc4;NC(=N)c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N;[H]N=C(c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(=N[H])N)N","InChI=1S/C21H18N6/c22-19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)21-26-17-9-8-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)","","2006-08-25","2011-06-04","2-(3'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-5-carboximidamide",""],["M1C","(3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL","C10 H22 N2 O2","OC(O)(C(N)CCCC)CNC1CC1;CCCC[CH](N)C(O)(O)CNC1CC1;CCCCC(C(CNC1CC1)(O)O)N","InChI=1S/C10H22N2O2/c1-2-3-4-9(11)10(13,14)7-12-8-5-6-8/h8-9,12-14H,2-7,11H2,1H3/t9-/m0/s1","","2003-09-25","2011-06-04","(3S)-3-amino-1-(cyclopropylamino)heptane-2,2-diol",""],["4PU","PLUTONIUM ION","Pu","[Pu+4];[Pu+4];[Pu+4]","InChI=1S/Pu/q+4","","2015-04-29","2018-04-17","plutonium(4+)","2015-08-05"],["4PV","2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","C18 H18 F2 N4","C1CN(CCN1C)C=4c2c(ccc(F)c2)Nc3ccc(F)cc3N=4;CN1CCN(CC1)C2=Nc3cc(F)ccc3Nc4ccc(F)cc24;CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F","InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3","","2015-05-04","2015-07-31","2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","2015-08-05"],["M1D","4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid","C11 H14 N4 O4","O=C1N(C(=O)c2c(N1C)ncn2CCCC(O)=O)C;CN1C(=O)N(C)c2ncn(CCCC(O)=O)c2C1=O;CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C","InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)","","2019-03-18","2019-12-20","4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid","2019-12-25"],["4PW","Levoglucosan","C6 H10 O5","OC1C(C2OC(C1O)OC2)O;O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1O;C1C2C(C(C(C(O1)O2)O)O)O","InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1","(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol","2015-05-05","2020-06-17","(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name)","2015-09-16"],["M1E","~{N}-methylthieno[3,2-d]pyrimidin-4-amine","C7 H7 N3 S","CNc1ncnc2ccsc12;CNc1c2c(ccs2)ncn1","InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)","","2019-10-02","2020-02-28","~{N}-methylthieno[3,2-d]pyrimidin-4-amine","2020-03-04"],["4PX","3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione","C19 H18 N4 O3","n3c2N(c1ccccc1)C(=O)C=4N(C(CO)(C)C)C(=O)NC=4c2ccc3;CC(C)(CO)N1C(=O)NC2=C1C(=O)N(c3ccccc3)c4ncccc24;CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O","InChI=1S/C19H18N4O3/c1-19(2,11-24)23-15-14(21-18(23)26)13-9-6-10-20-16(13)22(17(15)25)12-7-4-3-5-8-12/h3-10,24H,11H2,1-2H3,(H,21,26)","","2015-05-06","2015-08-07","3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione","2015-08-12"],["M1F","alpha-maltose 1-phosphate","C12 H23 O14 P","O=P(O)(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OP(=O)(O)O)CO)O)O)O)O","InChI=1S/C12H23O14P/c13-1-3-5(15)6(16)8(18)11(23-3)25-10-4(2-14)24-12(9(19)7(10)17)26-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1","","2014-01-21","2020-07-17","4-O-alpha-D-glucopyranosyl-1-O-phosphono-alpha-D-glucopyranose","2014-05-21"],["4PY","(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE","C22 H20 N6 O","N2=C(C=C1C=NN=C1C2)c5cc(OCC(N)CC3=C4C=CCC=C4N=C3)cnc5;N[CH](COc1cncc(c1)C2=NCC3=NN=CC3=C2)CC4=C5C=CCC=C5N=C4;c1c(cncc1OCC(CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4","InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1","","2007-02-02","2011-06-04","(2S)-1-(6H-indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine",""],["M1G","3-(2-DEOXY-BETA-D-RIBOFURANOSYL)-PYRIDO[5,6-A]-PURINE-10-ONE-5'-MONOPHOSPHATE","C13 H14 N5 O7 P","O=C2c3ncn(c3N=C1N=CC=CN12)C4OC(C(O)C4)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CC=NC4=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O","InChI=1S/C13H14N5O7P/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)20/h1-3,6-9,19H,4-5H2,(H2,21,22,23)/t7-,8+,9+/m0/s1","","2001-10-09","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one",""],["M1H","~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine","C10 H14 N2","CNc1ccnc2CCCCc12;CNc1ccnc2c1CCCC2","InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12)","","2019-10-02","2020-02-28","~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine","2020-03-04"],["4PZ","4-methyl-1H-pyrazole","C4 H6 N2","n1cc(cn1)C;Cc1c[nH]nc1;Cc1c[nH]nc1","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","","2008-08-19","2011-06-04","4-methyl-1H-pyrazole",""],["4Q0","2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione","C28 H25 N3 O5","c1c5c(ccc1)C(=O)N(c2ccc(cc2)OC)C(CCN4C(=O)c3cccc(c3C4=O)OC(C)C)=N5;COc1ccc(cc1)N2C(=Nc3ccccc3C2=O)CCN4C(=O)c5cccc(OC(C)C)c5C4=O;CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC","InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3","","2015-05-06","2015-08-07","2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione","2015-08-12"],["M1I","5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one","C23 H31 N3 O2","COc1cc(ccc1C2(CC2)N3CCN(C)CC3)C4=CN(C)C(=O)C(=C4C)C;CC1=C(C(=O)N(C=C1c2ccc(c(c2)OC)C3(CC3)N4CCN(CC4)C)C)C","InChI=1S/C23H31N3O2/c1-16-17(2)22(27)25(4)15-19(16)18-6-7-20(21(14-18)28-5)23(8-9-23)26-12-10-24(3)11-13-26/h6-7,14-15H,8-13H2,1-5H3","","2022-07-20","2022-08-26","5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one","2022-08-31"],["M1J","4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine","C18 H23 F2 N7 O2","c1(c(cc(N)nc1)C(F)F)c3nc(nc(N2CCOCC2C)n3)N4CCOCC4;C[CH]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4CCOCC4;CC1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N","InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1","","2019-03-18","2019-06-21","4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine","2019-06-26"],["4Q1","fumitremorgen B","C27 H33 N3 O5","COc1ccc2c(c1)n(c5c2C(C4(C(=O)N3CCCC3C(N4C5C=C(/C)C)=O)O)O)CC=C(C)C;COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)[CH](O)c23;CC(=CCn1c2cc(ccc2c3c1C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C=C(C)C)OC)C","InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1","(5aR,6S,12S,14aS)-5a,6-dihydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-\noctahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione","2015-05-07","2020-06-17","(5aR,6S,12S,14aS)-5a,6-dihydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione","2015-11-04"],["M1K","(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol","C60 H102 O29","C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(C)(C)O)[CH]4CC[C]5(C)[CH]6CC=C7[CH](CC[CH](O[CH]8O[CH](CO[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)[CH](O)[CH](O)[CH]8O)C7(C)C)[C]6(C)[CH](O)C[C]45C;CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)C","InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,58-,59+,60-/m0/s1","","2022-12-22","2024-05-24","(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},8~{S},9~{R},10~{R},11~{R},13~{R},14~{S},17~{R})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol","2024-05-29"],["4Q2","(2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide","C20 H26 N6 O2 S","C2Cc1nc(sc1c3c2cnc(n3)C(C)(C)C)NC(N4C(C(C)CC4)C(N)=O)=O;C[CH]1CCN([CH]1C(N)=O)C(=O)Nc2sc3c(CCc4cnc(nc34)C(C)(C)C)n2;CC1CCN(C1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3","InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1","","2015-05-07","2016-05-13","(2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide","2016-05-18"],["M1L","2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID","C24 H30 N4 O7 S","O=C(O)C(ON=C2/c1cc(c3c(c1NC2=O)CN(CC3)C)c4ccc(cc4)S(O)(O)N(C)C)CCO;CN1CCc2c(C1)c3NC(=O)C(=NO[CH](CCO)C(O)=O)c3cc2c4ccc(cc4)[S](O)(O)N(C)C;CN1CCc2c(cc3c(c2C1)NC(=O)C3=NOC(CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O","InChI=1S/C24H30N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29,33-34H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)/t20-/m0/s1","SPD 502; NS 1209","2003-08-05","2020-05-27","(2S)-2-({[(3E)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino}oxy)-4-hydroxybutanoic acid",""],["4Q3","N-{4-[3-(acetylamino)-1-(propan-2-yl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide","C27 H29 Cl F N5 O2","c2c(c1cc(NC(=O)C)nn1C(C)C)ccc(c2N4CC3CC3C4)N(C(c5c(cccc5Cl)F)=O)C;CC(C)n1nc(NC(C)=O)cc1c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(c2)N4C[CH]5C[CH]5C4;CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3CC4CC4C3)N(C)C(=O)c5c(cccc5Cl)F","InChI=1S/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/t18-,19+","","2015-05-07","2015-06-12","N-{4-[3-(acetylamino)-1-(propan-2-yl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide","2015-06-17"],["M1M","1,1-Methanediyl Bismethanethiosulfonate","C3 H8 O4 S4","S(S(=O)(=O)C)CSS(=O)(=O)C;C[S](=O)(=O)SCS[S](C)(=O)=O;CS(=O)(=O)SCSS(=O)(=O)C","InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3","S,S'-methylene dimethanesulfonothioate","2016-05-12","2024-09-27","S,S'-methylene dimethanesulfonothioate","2020-05-27"],["4Q4","{3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol","C21 H26 Cl2 N4 O2","Clc1cccc(c1Cl)c1nc(CO)c(nc1C)N1CCC2(CC1)COC(C)C2N;C[CH]1OCC2(CCN(CC2)c3nc(C)c(nc3CO)c4cccc(Cl)c4Cl)[CH]1N;Cc1c(nc(c(n1)N2CCC3(CC2)COC(C3N)C)CO)c4cccc(c4Cl)Cl","InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1","","2021-07-13","2021-08-27","{3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol","2021-09-01"],["4Q5","N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","C39 H67 N5 O7","N(C(C(C)C)C(=O)NC(C(N(C(C(CC(=O)N1C(CCC1)C(C(C)C(=O)NC(C)C(O)c2ccccc2)OC)OC)C(C)CC)C)=O)C(C)C)C;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](C)[CH](O)c2ccccc2)OC)N(C)C(=O)[CH](NC(=O)[CH](NC)C(C)C)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(c2ccccc2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC","InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1","","2015-05-08","2016-07-22","N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2016-07-27"],["M1N","(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID","C23 H32 B N3 O5","O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3;CC(C)C[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O","InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1","N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID","2006-01-10","2024-09-27","[(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)",""],["M1O","19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine","C21 H21 Cl F N3 O5","Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F;COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23;COc1cc2c3cc1OCCOCCOCCOc4cc(c(cc4Nc3ncn2)Cl)F","InChI=1S/C21H21ClFN3O5/c1-27-19-11-16-13-8-20(19)31-7-5-29-3-2-28-4-6-30-18-10-15(23)14(22)9-17(18)26-21(13)25-12-24-16/h8-12H,2-7H2,1H3,(H,24,25,26)","","2022-03-11","2022-11-18","19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine","2022-11-23"],["4Q6","(2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid","C20 H13 Br2 N3 O3 S","OC(=O)c1ccc2N(Cc3ccccc3)C(Sc2c1)=NC(=O)c4[nH]c(Br)c(Br)c4;c1ccc(cc1)CN2c3ccc(cc3SC2=NC(=O)c4cc(c([nH]4)Br)Br)C(=O)O","InChI=1S/C20H13Br2N3O3S/c21-13-9-14(23-17(13)22)18(26)24-20-25(10-11-4-2-1-3-5-11)15-7-6-12(19(27)28)8-16(15)29-20/h1-9,23H,10H2,(H,27,28)/b24-20-","","2021-07-07","2022-07-15","(2~{Z})-2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid","2022-07-20"],["4Q7","2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C25 H22 O7 S","c1(ccc(O)cc1)C2=C(C3OC2C(C3)S(=O)(Oc4c(cccc4)OC)=O)c5ccc(O)cc5;COc1ccccc1O[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;COc1ccccc1OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C25H22O7S/c1-30-19-4-2-3-5-20(19)32-33(28,29)22-14-21-23(15-6-10-17(26)11-7-15)24(25(22)31-21)16-8-12-18(27)13-9-16/h2-13,21-22,25-27H,14H2,1H3/t21-,22+,25+/m0/s1","","2015-05-07","2016-04-29","2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2016-05-04"],["M1P","1-O-phosphono-alpha-D-mannopyranose","C6 H13 O9 P","O=P(OC1OC(C(O)C(O)C1O)CO)(O)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1","ALPHA-D-MANNOSE 1-PHOSPHATE; 1-O-phosphono-alpha-D-mannose; 1-O-phosphono-D-mannose; 1-O-phosphono-mannose","2003-05-22","2020-07-17","1-O-phosphono-alpha-D-mannopyranose",""],["4Q8","5-methyl-1-(phenylmethyl)imidazole","C11 H12 N2","Cc1cncn1Cc2ccccc2;Cc1cncn1Cc2ccccc2","InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3","","2023-01-09","2024-05-03","5-methyl-1-(phenylmethyl)imidazole","2024-05-08"],["M1Q","5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione","C8 H10 N2 O2","O=C1NC(=O)[CH]2CCCCC2=N1;C1CCC2=NC(=O)NC(=O)C2C1","InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1","","2019-10-02","2020-02-28","5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione","2020-03-04"],["M1R","1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one","C30 H38 N6 O2","c5(N2Cc3nc(nc(N1CCN(CC1)C(CC)=O)c3CC2)OCC4N(C)CCC4)cccc6c5cccc6;CCC(=O)N1CCN(CC1)c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6ccccc56;CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5cccc6","InChI=1S/C30H38N6O2/c1-3-28(37)34-16-18-35(19-17-34)29-25-13-15-36(27-12-6-9-22-8-4-5-11-24(22)27)20-26(25)31-30(32-29)38-21-23-10-7-14-33(23)2/h4-6,8-9,11-12,23H,3,7,10,13-21H2,1-2H3/t23-/m0/s1","","2019-10-31","2024-09-27","1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one","2020-04-22"],["4Q9","2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C25 H22 O6 S","O=S(C3C4C(c1ccc(O)cc1)=C(c2ccc(O)cc2)C(C3)O4)(Oc5ccccc5C)=O;Cc1ccccc1O[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;Cc1ccccc1OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C25H22O6S/c1-15-4-2-3-5-20(15)31-32(28,29)22-14-21-23(16-6-10-18(26)11-7-16)24(25(22)30-21)17-8-12-19(27)13-9-17/h2-13,21-22,25-27H,14H2,1H3/t21-,22+,25+/m0/s1","","2015-05-08","2016-04-29","2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2016-05-04"],["M1S","(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE","C18 H21 Cl O5","O=C1OCCC=CCCCCCC(=O)Cc2c1c(O)cc(O)c2Cl;Oc1cc(O)c2C(=O)OCCC=CCCCCCC(=O)Cc2c1Cl;c1c(c2c(c(c1O)Cl)CC(=O)CCCCCC=CCCOC2=O)O","InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2/b5-3+","","2006-07-05","2011-06-04","(5E)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3H,13H)-dione",""],["4QA","4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one","C29 H37 F N4 O2","C24(CCN(Cc1cc(ccc1)OC(C)C)CC2)C(NC3CCCCC3)=NC(N4c5cccc(c5)F)=O;CC(C)Oc1cccc(CN2CCC3(CC2)N(C(=O)N=C3NC4CCCCC4)c5cccc(F)c5)c1;CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5","InChI=1S/C29H37FN4O2/c1-21(2)36-26-13-6-8-22(18-26)20-33-16-14-29(15-17-33)27(31-24-10-4-3-5-11-24)32-28(35)34(29)25-12-7-9-23(30)19-25/h6-9,12-13,18-19,21,24H,3-5,10-11,14-17,20H2,1-2H3,(H,31,32,35)","","2015-05-08","2015-07-31","4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one","2015-08-05"],["4QB","3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID","C27 H31 N5 O5","O=C(O)CC(C=O)NC(=O)C(CC)CCCCNC(=O)c1ccc(cc1)Nc2nc3ccccc3nc2;CC[CH](CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[CH](CC(O)=O)C=O;CCC(CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)NC(CC(=O)O)C=O","InChI=1S/C27H31N5O5/c1-2-18(27(37)31-21(17-33)15-25(34)35)7-5-6-14-28-26(36)19-10-12-20(13-11-19)30-24-16-29-22-8-3-4-9-23(22)32-24/h3-4,8-13,16-18,21H,2,5-7,14-15H2,1H3,(H,28,36)(H,30,32)(H,31,37)(H,34,35)/t18-,21+/m1/s1","","2004-01-09","2024-09-27","(3S)-3-{[(2R)-2-ethyl-6-({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid",""],["M1T","6,6-dihydroxy-1-methoxyhexan-2-one","C7 H14 O4","O=C(CCCC(O)O)COC;COCC(=O)CCCC(O)O;COCC(=O)CCCC(O)O","InChI=1S/C7H14O4/c1-11-5-6(8)3-2-4-7(9)10/h7,9-10H,2-5H2,1H3","","2010-09-14","2011-06-04","6,6-dihydroxy-1-methoxyhexan-2-one",""],["M1U","(1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol","C10 H17 Cl O","CC(=C)[CH]1CC[C](C)(O)[CH](Cl)C1;CC(=C)C1CCC(C(C1)Cl)(C)O","InChI=1S/C10H17ClO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1","","2022-07-21","2023-08-11","(1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol","2023-08-16"],["4QC","3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE","C29 H26 F3 N5 O2","FC(F)(F)c1nn(c2c1CCN(C2=O)c4ccc(c3ccccc3CN(C)C)cc4)c5cc(C(=O)N)ccc5;CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(N)=O)C3=O;CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O","InChI=1S/C29H26F3N5O2/c1-35(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)36-15-14-24-25(28(36)39)37(34-26(24)29(30,31)32)22-8-5-7-19(16-22)27(33)38/h3-13,16H,14-15,17H2,1-2H3,(H2,33,38)","","2006-02-22","2011-06-04","3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]benzamide",""],["M1V","mesobiliverdin IX(alpha)","C33 H38 N4 O6","CCC1=C(C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;CCC1=C(C(=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)CC)C)CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O)C","InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-","","2013-07-31","2024-09-27","3-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2014-06-18"],["4QD","8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one","C29 H38 F N5 O2","C23(CCN(Cc1cc(ccc1)OC(C)CN)CC2)N(C(N=C3NC4CCCCC4)=O)c5cccc(c5)F;C[CH](CN)Oc1cccc(CN2CCC3(CC2)N(C(=O)N=C3NC4CCCCC4)c5cccc(F)c5)c1;CC(CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5","InChI=1S/C29H38FN5O2/c1-21(19-31)37-26-12-5-7-22(17-26)20-34-15-13-29(14-16-34)27(32-24-9-3-2-4-10-24)33-28(36)35(29)25-11-6-8-23(30)18-25/h5-8,11-12,17-18,21,24H,2-4,9-10,13-16,19-20,31H2,1H3,(H,32,33,36)/t21-/m0/s1","","2015-05-08","2015-07-31","8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one","2015-08-05"],["M1W","3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide","C15 H16 N4 O3","O=C(c1nc(no1)c3c2ccnc2ccc3)NCCCOC;COCCCNC(=O)c1onc(n1)c2cccc3[nH]ccc23;COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3","InChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20)","","2015-02-17","2015-05-29","3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide","2015-06-03"],["4QE","6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine","C19 H23 N5 O","n3c2c(nc(c1ccccc1C)n2)c(nc3N)OCC4CCCCC4;Cc1ccccc1c2[nH]c3nc(N)nc(OCC4CCCCC4)c3n2;Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4","InChI=1S/C19H23N5O/c1-12-7-5-6-10-14(12)16-21-15-17(22-16)23-19(20)24-18(15)25-11-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H3,20,21,22,23,24)","","2013-11-19","2014-12-05","6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine","2014-12-10"],["M1X","{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile","C32 H37 Cl F N7 O2","n2c(N1CCN(C(C(C)F)=O)C(C1)CC#N)c4CCN(Cc4nc2OCC3N(C)CCC3)c5cccc6c5c(ccc6)Cl;C[CH](F)C(=O)N1CCN(C[CH]1CC#N)c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(Cl)c56;CC(C(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F","InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23-,24-/m0/s1","","2019-11-01","2024-09-27","{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile","2020-04-22"],["4QF","(5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one","C27 H33 F N4 O","C1CN(C(C)CC13C(NC2CCCCC2)=NC(N3c4cccc(c4)F)=O)Cc5ccccc5;C[CH]1C[C]2(CCN1Cc3ccccc3)N(C(=O)N=C2NC4CCCCC4)c5cccc(F)c5;CC1CC2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5","InChI=1S/C27H33FN4O/c1-20-18-27(15-16-31(20)19-21-9-4-2-5-10-21)25(29-23-12-6-3-7-13-23)30-26(33)32(27)24-14-8-11-22(28)17-24/h2,4-5,8-11,14,17,20,23H,3,6-7,12-13,15-16,18-19H2,1H3,(H,29,30,33)/t20-,27+/m0/s1","","2015-05-08","2015-07-31","(5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one","2015-08-05"],["M1Y","(1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol","C10 H15 N2 O9 P","CN2C(=O)NC(=O)C(C1C(O)C(O)C(COP(=O)(O)O)O1)=C2;CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CN1C=C(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6+,7-,8+/m1/s1","","2017-09-13","2017-12-01","(1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol","2017-12-06"],["4QG","4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide","C16 H11 Cl N2 O2","c2(cnc(c1ccc(cc1)C(N)=O)o2)c3ccc(cc3)Cl;NC(=O)c1ccc(cc1)c2oc(cn2)c3ccc(Cl)cc3;c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N","InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)","","2015-05-08","2016-09-30","4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide","2016-10-05"],["4QH","3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide","C24 H25 N3 O7 S","COc1cc(ccc1OC)S(=O)(Nc3cc2c(N(C(N2C)=O)C)cc3Oc4ccc(OC)cc4)=O;COc1ccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)cc1;CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC","InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3","","2015-05-11","2015-06-12","3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide","2015-06-17"],["M1Z","6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione","C8 H11 N3 O2","O=C1CC(=NC(=O)N1)N2CCCC2;C1CCN(C1)C2=NC(=O)NC(=O)C2","InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)","","2019-10-02","2020-02-28","6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione","2020-03-04"],["M21","(10E,12Z)-tetradeca-10,12-dien-1-ol","C14 H26 O","OCCCCCCCCCC=CC=C/C;CC=CC=CCCCCCCCCCO;CC=CC=CCCCCCCCCCO","InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-5,15H,6-14H2,1H3/b3-2-,5-4+","","2009-03-12","2011-06-04","(10E,12Z)-tetradeca-10,12-dien-1-ol",""],["4QI","(4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one","C18 H15 Cl N6 O2","Clc1cn[NH]c1C1N=C(NC=2CCCC(=O)C1=2)Nc1nc2ccccc2o1;Clc1cn[nH]c1[CH]2N=C(NC3=C2C(=O)CCC3)Nc4oc5ccccc5n4;c1ccc2c(c1)nc(o2)NC3=NC(C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl","InChI=1S/C18H15ClN6O2/c19-9-8-20-25-15(9)16-14-11(5-3-6-12(14)26)21-17(23-16)24-18-22-10-4-1-2-7-13(10)27-18/h1-2,4,7-8,16H,3,5-6H2,(H,20,25)(H2,21,22,23,24)/t16-/m1/s1","","2021-07-13","2021-09-24","(4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one","2021-09-29"],["M22","3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile","C21 H13 Cl2 N3 O2","N#Cc4cc(Oc3c(Cl)ccc(OCc2nnc1ccccc12)c3)cc(Cl)c4;Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N;c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl","InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)","","2008-02-07","2011-06-04","3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile",""],["4QJ","(11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one","C29 H26 F N7 O","CN1C(=O)c2c(Nc3ccccc3)n(Cc4ccc(cc4)c5cccc(F)n5)nc2N6[CH]7CCC[CH]7N=C16;CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=NC7C6CCC7","InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1","","2016-01-13","2016-01-29","","2016-02-03"],["M23","7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine","C17 H17 Br N4 O","Brc3cc(c2c(cc1c(nc(nc1N)N)c2)C)c(OCC)cc3;CCOc1ccc(Br)cc1c2cc3nc(N)nc(N)c3cc2C;CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br","InChI=1S/C17H17BrN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22)","","2011-07-26","2011-08-26","7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine",""],["4QK","6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine","C10 H19 N5 O2","NC(CCCCn1cc(CCN)nn1)C(O)=O;NCCc1cn(CCCC[CH](N)C(O)=O)nn1;c1c(nnn1CCCCC(C(=O)O)N)CCN","InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1","","2016-07-19","2024-09-27","6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine","2016-09-21"],["4QL","2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid","C16 H18 I3 N O5","CCCCCCCC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I;CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I","InChI=1S/C16H18I3NO5/c1-2-3-4-5-6-7-8(21)20-14-12(18)9(15(22)23)11(17)10(13(14)19)16(24)25/h2-7H2,1H3,(H,20,21)(H,22,23)(H,24,25)","","2016-02-19","2016-11-04","2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid","2016-11-09"],["M24","5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine","C25 H21 F N7 O9 P","O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OC(=O)c4cccc(c4)c5nc(on5)c6ccccc6F;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)c4cccc(c4)c5noc(n5)c6ccccc6F)[CH](O)[CH]3O;c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)F","InChI=1S/C25H21FN7O9P/c26-15-7-2-1-6-14(15)23-31-21(32-41-23)12-4-3-5-13(8-12)25(36)42-43(37,38)39-9-16-18(34)19(35)24(40-16)33-11-30-17-20(27)28-10-29-22(17)33/h1-8,10-11,16,18-19,24,34-35H,9H2,(H,37,38)(H2,27,28,29)/t16-,18-,19-,24-/m1/s1","","2009-07-29","2011-06-04","5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine",""],["M25","N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE","C10 H14 N2 O3 S","O=S(=O)(c1ccc(cc1)CCNC(=O)C)N;CC(=O)NCCc1ccc(cc1)[S](N)(=O)=O;CC(=O)NCCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)","","2006-10-27","2011-06-04","N-[2-(4-sulfamoylphenyl)ethyl]acetamide",""],["4QM","(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol","C24 H42 O3","CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C24H42O3/c1-5-6-14(2)17-7-8-18-22-19(13-21(27)24(17,18)4)23(3)10-9-16(25)11-15(23)12-20(22)26/h14-22,25-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1","","2016-02-19","2016-11-04","(3~{R},5~{S},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-3,7,12-triol","2016-11-09"],["4QO","2-chloro-N,N-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide","C22 H26 Cl N3 O2","c2c(NC(NC(C)(C)c1cc(ccc1)/C(C)=C)=O)cc(C(=O)N(C)C)c(c2)Cl;CN(C)C(=O)c1cc(NC(=O)NC(C)(C)c2cccc(c2)C(C)=C)ccc1Cl;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl","InChI=1S/C22H26ClN3O2/c1-14(2)15-8-7-9-16(12-15)22(3,4)25-21(28)24-17-10-11-19(23)18(13-17)20(27)26(5)6/h7-13H,1H2,2-6H3,(H2,24,25,28)","","2015-05-12","2015-06-12","2-chloro-N,N-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide","2015-06-17"],["M26","N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide","C19 H18 Br F N2 O3","Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O;COC[CH](NC(=O)C[CH]1C(=O)Nc2ccc(F)cc12)c3cccc(Br)c3;COCC(c1cccc(c1)Br)NC(=O)CC2c3cc(ccc3NC2=O)F","InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1","","2023-08-15","2023-11-03","N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide","2023-11-08"],["M27","bis(mu2-oxo)-octaoxo-dimolybdenum (VI)","Mo2 O10","[O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1;[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]","InChI=1S/2Mo.10O/q;;;;8*-1","dimolybdate [Mo(VI)2O10]8-","2013-06-04","2020-06-17","2,2,2,2,4,4,4,4-octakis(oxidanidyl)-1,3-dioxa-2$l^{6},4$l^{6}-dimolybdacyclobutane",""],["4QP","(2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid","C14 H22 N O4 P","NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O;CC(C)C[CH](C[P](O)(=O)[CH](N)c1ccccc1)C(O)=O;CC(C)CC(CP(=O)(C(c1ccccc1)N)O)C(=O)O","InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1","","2015-05-12","2015-10-02","(2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid","2015-10-07"],["M28","3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID","C9 H11 N O4 S","O=S(=O)(c1ccc(cc1)CCC(=O)O)N;N[S](=O)(=O)c1ccc(CCC(O)=O)cc1;c1cc(ccc1CCC(=O)O)S(=O)(=O)N","InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)","P-CARBOXYETHYLBENZENESULFONAMIDE","2006-10-27","2020-06-17","3-(4-sulfamoylphenyl)propanoic acid",""],["4QQ","4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide","C22 H28 N4 O3 S","S(=O)(=O)(c1ccc(cc1)C)NC(C(N2CCCCC2)=O)Cc3ccc(cc3)C(=N)N;Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccc(cc2)C(N)=N)C(=O)N3CCCCC3;Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3","InChI=1S/C22H28N4O3S/c1-16-5-11-19(12-6-16)30(28,29)25-20(22(27)26-13-3-2-4-14-26)15-17-7-9-18(10-8-17)21(23)24/h5-12,20,25H,2-4,13-15H2,1H3,(H3,23,24)/t20-/m0/s1","","2016-12-06","2016-12-09","4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide","2016-12-14"],["M29","ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE","C11 H15 N O4 S","O=S(=O)(c1ccc(cc1)CCC(=O)OCC)N;CCOC(=O)CCc1ccc(cc1)[S](N)(=O)=O;CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)","4-PROPYL BENZENESULFONAMIDE ETHYL ESTER","2006-10-30","2021-03-01","ethyl 3-(4-sulfamoylphenyl)propanoate",""],["4QR","2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid","C22 H15 Cl2 N3 O6 S","Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCc4cccc(c4)C(O)=O)c3n2)C(O)=O)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4cccc(c4)C(=O)O)Cl)Cl","InChI=1S/C22H15Cl2N3O6S/c1-9-15(23)16(24)18(25-9)19(28)27-22-26-17-13(6-12(21(31)32)7-14(17)34-22)33-8-10-3-2-4-11(5-10)20(29)30/h2-7,25H,8H2,1H3,(H,29,30)(H,31,32)(H,26,27,28)","","2021-07-07","2022-07-15","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid","2022-07-20"],["M2A","[(2~{R},3~{R},4~{R},5~{S})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate","C18 H22 N6 O11 P2","CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]2n3cnc4c(N)ncnc34;CNc1ccccc1C(=O)OC2C(C(OC2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-13(25)11(6-32-37(30,31)35-36(27,28)29)33-17(14)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13+,14+,17+/m0/s1","","2015-12-23","2016-02-19","[(2~{R},3~{R},4~{R},5~{S})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate","2016-02-24"],["4QS","[(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate","C30 H42 N2 O9","O=C1C(OC)=C2C(=O)C(=C1C)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(OC)C(=O)C(=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O)C;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C30H42N2O9/c1-15-12-20-26(35)23(19(5)25(34)28(20)40-8)32-29(36)16(2)10-9-11-21(38-6)27(41-30(31)37)18(4)14-17(3)24(33)22(13-15)39-7/h9-11,14-15,17,21-22,24,27,33H,12-13H2,1-8H3,(H2,31,37)(H,32,36)/b11-9+,16-10?,18-14+/t15-,17-,21+,22+,24-,27-/m1/s1","","2012-04-30","2014-09-05","(4Z,6E,8S,9R,10E,12R,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate","2013-04-03"],["M2B","5-Amino-1-Phenylpyrazole-4-Carboxamide","C10 H10 N4 O","NC(=O)c1cnn(c2ccccc2)c1N;c1ccc(cc1)n2c(c(cn2)C(=O)N)N","InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15)","","2019-10-02","2019-10-18","5-azanyl-1-phenyl-pyrazole-4-carboxamide","2019-10-23"],["4QT","5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide","C6 H4 Br3 N O4","c1(c(c(c(c(c1Br)OO)Br)OO)Br)N;Nc1c(Br)c(OO)c(Br)c(OO)c1Br;c1(c(c(c(c(c1Br)OO)Br)OO)Br)N","InChI=1S/C6H4Br3NO4/c7-1-4(10)2(8)6(14-12)3(9)5(1)13-11/h11-12H,10H2","","2015-05-13","2016-04-22","5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide","2016-04-27"],["M2C","(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL","C10 H16 N2 O2 S","OC(O)(c1ncccc1)C(N)CCSC;CSCC[CH](N)C(O)(O)c1ccccn1;CSCCC(C(c1ccccn1)(O)O)N","InChI=1S/C10H16N2O2S/c1-15-7-5-8(11)10(13,14)9-4-2-3-6-12-9/h2-4,6,8,13-14H,5,7,11H2,1H3/t8-/m0/s1","","2003-09-25","2011-06-04","(2S)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol",""],["4QU","11-methyl-3-(pyridin-3-ylmethyl)-4H-pyrimido[5'',4'':5',6']pyrido[2',3':4,5]pyrimido[1,2-b]pyridine-4,6(3H)-dione","C20 H14 N6 O2","CC1=CC=CN2C(=O)c3cc4C(=O)N(Cc5cccnc5)C=Nc4nc3N=C12;CC1=CC=CN2C1=Nc3c(cc4c(n3)N=CN(C4=O)Cc5cccnc5)C2=O","InChI=1S/C20H14N6O2/c1-12-4-3-7-26-18(12)24-17-15(20(26)28)8-14-16(23-17)22-11-25(19(14)27)10-13-5-2-6-21-9-13/h2-9,11H,10H2,1H3","","2021-08-03","2022-07-15","","2022-07-20"],["M2D","Madumycin II","C26 H37 N3 O7","CC(C)[CH]1OC(=O)[CH](C)NC(=O)c2coc(C[CH](O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n2;CC1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)C)O)O)C","InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6-,9-8+,16-11+/t17-,18-,19-,20+,24-/m1/s1","","2017-06-20","2017-06-23","(4~{R},7~{R},8~{R},9~{E},14~{Z},16~{E},18~{S},20~{S})-4,8,16-trimethyl-18,20-bis(oxidanyl)-7-propan-2-yl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione","2017-06-28"],["4QV","5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one","C14 H10 N4 O2","O=C1N(c2c(N1)cc(cc2)O)c4nc3ccccc3n4;Oc1ccc2N(C(=O)Nc2c1)c3[nH]c4ccccc4n3;c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O","InChI=1S/C14H10N4O2/c19-8-5-6-12-11(7-8)17-14(20)18(12)13-15-9-3-1-2-4-10(9)16-13/h1-7,19H,(H,15,16)(H,17,20)","","2015-05-13","2016-07-15","5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one","2016-07-20"],["M2E","(4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone","C12 H14 Cl N O2","O[CH]1CCCN(C1)C(=O)c2ccc(Cl)cc2;c1cc(ccc1C(=O)N2CCCC(C2)O)Cl","InChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h3-6,11,15H,1-2,7-8H2/t11-/m0/s1","","2019-10-02","2020-01-17","(4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone","2020-01-22"],["4QW","3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine","C14 H14 N4","C3N=C(c1cccnc1)C(=[C@H]c2n(C)cnc2)C3;Cn1cncc1C=C2CCN=C2c3cccnc3;Cn1cncc1C=C2CCN=C2c3cccnc3","InChI=1S/C14H14N4/c1-18-10-16-9-13(18)7-11-4-6-17-14(11)12-3-2-5-15-8-12/h2-3,5,7-10H,4,6H2,1H3/b11-7+","","2015-05-13","2016-05-06","3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine","2016-05-11"],["M2F","2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside","C12 H13 F N2 O9","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2;OC[CH]1O[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)F","InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9+,10-,11-,12-/m1/s1","2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannoside; 2,4-dinitrophenyl 2-deoxy-2-fluoro-D-mannoside; 2,4-dinitrophenyl\n2-deoxy-2-fluoro-mannoside","2009-03-02","2020-07-17","2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside",""],["4QX","3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide","C12 H15 Cl N6 O","C(C)(C)NC(n2c(Nc1ccc(cc1)Cl)nc(N)n2)=O;CC(C)NC(=O)n1nc(N)nc1Nc2ccc(Cl)cc2;CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl","InChI=1S/C12H15ClN6O/c1-7(2)15-12(20)19-11(17-10(14)18-19)16-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,15,20)(H3,14,16,17,18)","","2015-05-13","2016-04-29","3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide","2016-05-04"],["M2G","N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE","C12 H18 N5 O8 P","O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3O)COP(=O)(O)O;CN(C)C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CN(C)C1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N1","InChI=1S/C12H18N5O8P/c1-16(2)12-14-9-6(10(20)15-12)13-4-17(9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,3H2,1-2H3,(H,14,15,20)(H2,21,22,23)/t5-,7-,8-,11-/m1/s1","","1999-07-08","2011-06-04","N,N-dimethylguanosine 5'-(dihydrogen phosphate)",""],["4QY","2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose","C8 H16 N O9 P","C1(NC(C)=O)C(OC(C(C1O)O)COP(=O)(O)O)O;CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1","beta-N-acetylglucosamine-6-phosphate; N-acetyl-6-O-phosphono-beta-D-glucosamine;\n2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucose; 2-acetamido-2-deoxy-6-O-phosphono-D-glucose;\n2-acetamido-2-deoxy-6-O-phosphono-glucose","2015-05-13","2020-07-17","2-(acetylamino)-2-deoxy-6-O-phosphono-beta-D-glucopyranose","2016-06-08"],["M2H","3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile","C7 H8 N2","Cc1[nH]c(C#N)c(C)c1;Cc1cc([nH]c1C#N)C","InChI=1S/C7H8N2/c1-5-3-6(2)9-7(5)4-8/h3,9H,1-2H3","","2019-10-02","2020-01-17","3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile","2020-01-22"],["4QZ","3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide","C17 H17 Cl N6 O","C(c1ccccc1)(C)NC(n2c(nc(N)n2)Nc3ccc(cc3)Cl)=O;C[CH](NC(=O)n1nc(N)nc1Nc2ccc(Cl)cc2)c3ccccc3;CC(c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl","InChI=1S/C17H17ClN6O/c1-11(12-5-3-2-4-6-12)20-17(25)24-16(22-15(19)23-24)21-14-9-7-13(18)8-10-14/h2-11H,1H3,(H,20,25)(H3,19,21,22,23)/t11-/m0/s1","","2015-05-13","2016-04-29","3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide","2016-05-04"],["M2I","[(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone","C17 H12 F3 N5 O","FC(F)(F)c1cccc(c1)C(=O)N1CC(c2nnn[NH]2)c2ccccc12;FC(F)(F)c1cccc(c1)C(=O)N2C[CH](c3[nH]nnn3)c4ccccc24;c1ccc2c(c1)C(CN2C(=O)c3cccc(c3)C(F)(F)F)c4[nH]nnn4","InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)16(26)25-9-13(15-21-23-24-22-15)12-6-1-2-7-14(12)25/h1-8,13H,9H2,(H,21,22,23,24)/t13-/m1/s1","","2022-03-11","2023-03-10","[(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone","2023-03-15"],["4R0","3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide","C13 H17 Cl N6 O","c2(cc(Nc1nc(nn1C(NC(C)C)=O)N)ccc2Cl)C;CC(C)NC(=O)n1nc(N)nc1Nc2ccc(Cl)c(C)c2;Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N","InChI=1S/C13H17ClN6O/c1-7(2)16-13(21)20-12(18-11(15)19-20)17-9-4-5-10(14)8(3)6-9/h4-7H,1-3H3,(H,16,21)(H3,15,17,18,19)","","2015-05-13","2016-04-29","3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide","2016-05-04"],["M2K","4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid","C8 H10 N2 O2","OC(=O)c1[nH]nc2CCCCc12;C1CCc2c(c([nH]n2)C(=O)O)C1","InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)","","2019-10-02","2020-01-17","4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid","2020-01-22"],["4R1","2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose","C6 H14 N O8 P","C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N;N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O","InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1","beta-glucosamine-6-phosphate; 6-O-phosphono-beta-D-glucosamine; 2-amino-2-deoxy-6-O-phosphono-beta-D-glucose;\n2-amino-2-deoxy-6-O-phosphono-D-glucose; 2-amino-2-deoxy-6-O-phosphono-glucose","2015-05-13","2020-07-17","2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose","2016-06-08"],["4R2","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(~{E})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C32 H42 N12 O16 P2","N=C(N)NCC=CC(=O)N1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C=2NC(=O)NC(=O)C1=2;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)C=CCNC(N)=N)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)C=CCNC(=N)N","InChI=1S/C32H42N12O16P2/c1-13-6-15-16(7-14(13)2)44(20(47)4-3-5-36-31(34)35)22-28(40-32(52)41-29(22)51)42(15)8-17(45)23(48)18(46)9-57-61(53,54)60-62(55,56)58-10-19-24(49)25(50)30(59-19)43-12-39-21-26(33)37-11-38-27(21)43/h3-4,6-7,11-12,17-19,23-25,30,45-46,48-50H,5,8-10H2,1-2H3,(H,53,54)(H,55,56)(H2,33,37,38)(H4,34,35,36)(H2,40,41,51,52)/b4-3+/t17-,18+,19+,23-,24+,25+,30+/m0/s1","","2021-07-13","2021-12-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[(2E)-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2021-12-22"],["M2L","(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid","C7 H16 N2 O2 S","O=C(O)C(N)CSCCN(C)C;CN(C)CCSC[CH](N)C(O)=O;CN(C)CCSCC(C(=O)O)N","InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1","","2008-04-09","2024-09-27","S-[2-(dimethylamino)ethyl]-L-cysteine",""],["M2M","1-METHOXY-2-(2-METHOXYETHOXY)ETHANE","C6 H14 O3","O(C)CCOCCOC;COCCOCCOC;COCCOCCOC","InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3","","2003-09-10","2011-06-04","1-methoxy-2-(2-methoxyethoxy)ethane",""],["4R3","2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid","C14 H9 Cl2 N3 O4 S","Cc1[nH]c(C(=O)Nc2sc3cc(C(O)=O)c(O)cc3n2)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)Nc2nc3cc(c(cc3s2)C(=O)O)O)Cl)Cl","InChI=1S/C14H9Cl2N3O4S/c1-4-9(15)10(16)11(17-4)12(21)19-14-18-6-3-7(20)5(13(22)23)2-8(6)24-14/h2-3,17,20H,1H3,(H,22,23)(H,18,19,21)","","2021-07-07","2022-07-15","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid","2022-07-20"],["M2N","5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C18 H15 N5","n1c(c2c(nc1N)nc(c2c3ccccc3)c4ccccc4)N;Nc1nc(N)c2c([nH]c(c3ccccc3)c2c4ccccc4)n1;c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N","InChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23)","","2014-01-15","2015-01-16","5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["4R5","1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea","C17 H13 F2 N3 O2 S","c1(cncs1)NC(=O)Nc2c(cc(cc2F)c3cccc(c3)OC)F;COc1cccc(c1)c2cc(F)c(NC(=O)Nc3scnc3)c(F)c2;COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F","InChI=1S/C17H13F2N3O2S/c1-24-12-4-2-3-10(5-12)11-6-13(18)16(14(19)7-11)22-17(23)21-15-8-20-9-25-15/h2-9H,1H3,(H2,21,22,23)","","2015-05-14","2016-04-29","1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea","2016-05-04"],["4R6","~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide","C19 H17 Cl N2 O3","Cc1onc(C)c1COc2ccccc2C(=O)Nc3cccc(Cl)c3;Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)Cl","InChI=1S/C19H17ClN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23)","","2022-02-02","2022-12-30","~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide","2023-01-04"],["M2O","[2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium","C19 H27 N2 O3","COc1cc(cc(OC)c1C[NH+](C)C)C2=C(C)N(C)C(=O)C(=C2)C;CC1=CC(=C(N(C1=O)C)C)c2cc(c(c(c2)OC)C[NH+](C)C)OC","InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)14-9-17(23-6)16(11-20(3)4)18(10-14)24-7/h8-10H,11H2,1-7H3/p+1","","2022-07-21","2023-06-16","[2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium","2023-06-21"],["M2P","D-MANNITOL-1,6-DIPHOSPHATE","C6 H16 O12 P2","O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1","1,6-DI-O-PHOSPHONO-D-MANNITOL","2005-04-26","2024-09-27","1,6-di-O-phosphono-D-mannitol",""],["4R7","methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","C29 H36 N10 O7","COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1;COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCNC(=N)NCCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C29H36N10O7/c1-45-27(43)16-10-15-4-5-17(12-18(15)19(40)11-16)38-29(44)34-8-3-2-7-32-28(31)33-9-6-20-22(41)23(42)26(46-20)39-14-37-21-24(30)35-13-36-25(21)39/h4-5,10-14,20,22-23,26,40-42H,2-3,6-9H2,1H3,(H2,30,35,36)(H3,31,32,33)(H2,34,38,44)/t20-,22-,23-,26-/m1/s1","","2021-07-07","2022-04-01","methyl 6-[4-[[~{N}-[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate","2022-04-06"],["M2Q","(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17S)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol","C48 H82 O19","C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C;CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)C","InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)67-43-40(60)37(57)34(54)27(65-43)20-62-41-38(58)35(55)32(52)25(18-49)63-41)22-15-16-46(6)28-12-10-23-24(48(28,8)29(51)17-47(22,46)7)11-14-30(44(23,2)3)66-42-39(59)36(56)33(53)26(19-50)64-42/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24+,25-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,46-,47+,48-/m0/s1","","2022-12-22","2024-05-24","(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-[(3~{R},6~{S})-6-[(3~{S},8~{S},9~{R},10~{R},11~{S},13~{R},14~{S},17~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol","2024-05-29"],["4R8","(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid","C22 H32 O3","O=C(C/C=C/CCC=C/CC=C/CC=C/CC=C/CC)CCC(=O)O;CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(O)=O;CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(=O)O","InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+","4-OXODOCOSAHEXAENOIC ACID","2008-06-02","2024-09-27","(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid",""],["M2R","[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate","C44 H81 N O8 P","C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC/C=CC/C=CC/C=CC/C=CCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/p+1/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1","","2022-03-11","2023-04-07","(4S,7R,13Z,16Z,19Z,22Z)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphaoctacosa-13,16,19,22-tetraen-1-aminium","2023-04-12"],["4R9","N-oxidanyl-4-phenyl-butanamide","C10 H13 N O2","ONC(=O)CCCc1ccccc1;c1ccc(cc1)CCCC(=O)NO","InChI=1S/C10H13NO2/c12-10(11-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,11,12)","","2021-08-04","2022-06-03","~{N}-oxidanyl-4-phenyl-butanamide","2022-06-08"],["4RA","[(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C25 H36 N5 O20 P3","O=C1N(C=CC(N1)=O)C2OC(C(C2O)O)COP(O)(=O)OP(O)(=O)OC3C(NC(C)=O)C(O)C(C(O3)C)N=Cc4c(O)c(C)ncc4COP(O)(O)=O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)C)O","InChI=1S/C25H36N5O20P3/c1-10-19(33)14(13(6-26-10)8-45-51(38,39)40)7-27-17-11(2)47-24(18(21(17)35)28-12(3)31)49-53(43,44)50-52(41,42)46-9-15-20(34)22(36)23(48-15)30-5-4-16(32)29-25(30)37/h4-7,11,15,17-18,20-24,33-36H,8-9H2,1-3H3,(H,28,31)(H,41,42)(H,43,44)(H,29,32,37)(H2,38,39,40)/b27-7+/t11-,15-,17-,18-,20-,21+,22-,23-,24-/m1/s1","","2015-05-14","2015-07-24","(2R,3R,4R,5S,6R)-3-(acetylamino)-4-hydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2015-07-29"],["M2S","3-{[(R)-methylsulfinyl]methyl}-L-valine","C7 H15 N O3 S","O=S(C)CC(C)(C)C(N)C(=O)O;C[S](=O)CC(C)(C)[CH](N)C(O)=O;CC(C)(CS(=O)C)C(C(=O)O)N","InChI=1S/C7H15NO3S/c1-7(2,4-12(3)11)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-,12-/m1/s1","3,3-dimethyl-methionine sulfoxide","2008-06-03","2024-09-27","3-{[(R)-methylsulfinyl]methyl}-L-valine",""],["4RB","4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid","C17 H18 N4 O3","O=C(O)c3ccc(c1cnc2ccc(nn12)NC(CC)CO)cc3;CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(O)=O;CCC(CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O","InChI=1S/C17H18N4O3/c1-2-13(10-22)19-15-7-8-16-18-9-14(21(16)20-15)11-3-5-12(6-4-11)17(23)24/h3-9,13,22H,2,10H2,1H3,(H,19,20)(H,23,24)/t13-/m1/s1","","2007-12-26","2011-06-04","4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid",""],["M2T","5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine","C12 H19 N5 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS(C)C)N;C[SH](C)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CS(C)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H19N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19,21H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2009-04-15","2011-06-04","5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine",""],["M2U","~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide","C11 H13 N3 O2 S","CN[S](=O)(=O)c1cnn(c1C)c2ccccc2;Cc1c(cnn1c2ccccc2)S(=O)(=O)NC","InChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3","","2022-07-21","2022-09-09","~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide","2022-09-14"],["4RC","N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","C18 H19 Cl2 F N6","c1c(nc2c(c1)nc(n2)NCCCNC4CCNc3c(cc(Cl)cc34)Cl)F;Fc1ccc2nc(NCCCN[CH]3CCNc4c(Cl)cc(Cl)cc34)[nH]c2n1;c1cc(nc2c1nc([nH]2)NCCCNC3CCNc4c3cc(cc4Cl)Cl)F","InChI=1S/C18H19Cl2FN6/c19-10-8-11-13(4-7-23-16(11)12(20)9-10)22-5-1-6-24-18-25-14-2-3-15(21)26-17(14)27-18/h2-3,8-9,13,22-23H,1,4-7H2,(H2,24,25,26,27)/t13-/m1/s1","","2015-05-14","2016-04-29","N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","2016-05-04"],["4RD","N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","C18 H18 Cl2 F N5 O","c2cc1nc(nc1nc2F)NCCCNC3CCOc4c3cc(Cl)cc4Cl;Fc1ccc2[nH]c(NCCCN[CH]3CCOc4c(Cl)cc(Cl)cc34)nc2n1;c1cc(nc2c1[nH]c(n2)NCCCNC3CCOc4c3cc(cc4Cl)Cl)F","InChI=1S/C18H18Cl2FN5O/c19-10-8-11-13(4-7-27-16(11)12(20)9-10)22-5-1-6-23-18-24-14-2-3-15(21)25-17(14)26-18/h2-3,8-9,13,22H,1,4-7H2,(H2,23,24,25,26)/t13-/m1/s1","","2015-05-14","2016-04-29","N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","2016-05-04"],["M2V","[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","C21 H19 Cl N3 O3 P S","c3(c2c(sc(c1cc(Cl)c(cc1)C)c2)ncn3)NC(P(O)(O)=O)Cc4ccccc4;Cc1ccc(cc1Cl)c2sc3ncnc(N[CH](Cc4ccccc4)[P](O)(O)=O)c3c2;Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)NC(Cc4ccccc4)P(=O)(O)O","InChI=1S/C21H19ClN3O3PS/c1-13-7-8-15(10-17(13)22)18-11-16-20(23-12-24-21(16)30-18)25-19(29(26,27)28)9-14-5-3-2-4-6-14/h2-8,10-12,19H,9H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m1/s1","","2019-03-19","2019-11-01","[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","2019-11-06"],["4RF","Tripalmitoylglycerol","C51 H98 O6","C(CCCCCCCCC)CCCCCC(OCC(OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3","propane-1,2,3-triyl trihexadecanoate","2015-05-14","2021-03-13","propane-1,2,3-triyl trihexadecanoate","2016-02-10"],["M2W","DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE","C14 H25 N3 O7 S","O=C(NC(C(=O)O)C(OC)C)C(NC(=O)CCCC(C(=O)O)N)CS;CO[CH](C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC(C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N)OC","InChI=1S/C14H25N3O7S/c1-7(24-2)11(14(22)23)17-12(19)9(6-25)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,25H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t7-,8-,9-,11+/m0/s1","","2011-02-03","2014-09-05","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-O-methyl-D-threonine",""],["M2X","(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide","C15 H16 Br N3 O2","O=C(Nc1cnccc1C)C(N)c1cc(Br)ccc1OC;COc1ccc(Br)cc1[CH](N)C(=O)Nc2cnccc2C;Cc1ccncc1NC(=O)C(c2cc(ccc2OC)Br)N","InChI=1S/C15H16BrN3O2/c1-9-5-6-18-8-12(9)19-15(20)14(17)11-7-10(16)3-4-13(11)21-2/h3-8,14H,17H2,1-2H3,(H,19,20)/t14-/m1/s1","","2023-08-15","2023-11-03","(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["4RG","3-(phenoxymethyl)benzoic acid","C14 H12 O3","O=C(O)c1cccc(c1)COc2ccccc2;OC(=O)c1cccc(COc2ccccc2)c1;c1ccc(cc1)OCc2cccc(c2)C(=O)O","InChI=1S/C14H12O3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H,15,16)","","2011-07-27","2012-08-03","3-(phenoxymethyl)benzoic acid",""],["M2Y","[(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","C21 H19 Cl N3 O3 P S","c1(ncnc3c1cc(c2cc(Cl)c(C)cc2)s3)NC(Cc4ccccc4)P(O)(O)=O;Cc1ccc(cc1Cl)c2sc3ncnc(N[CH](Cc4ccccc4)[P](O)(O)=O)c3c2;Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)NC(Cc4ccccc4)P(=O)(O)O","InChI=1S/C21H19ClN3O3PS/c1-13-7-8-15(10-17(13)22)18-11-16-20(23-12-24-21(16)30-18)25-19(29(26,27)28)9-14-5-3-2-4-6-14/h2-8,10-12,19H,9H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m0/s1","","2019-03-19","2019-11-01","[(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid","2019-11-06"],["4RH","(2~{R})-1-(2-methoxyethoxy)propan-2-amine","C6 H15 N O2","COCCOC[CH](C)N;CC(COCCOC)N","InChI=1S/C6H15NO2/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1","","2021-07-07","2021-11-26","(2~{R})-1-(2-methoxyethoxy)propan-2-amine","2021-12-01"],["M2Z","1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine","C25 H29 N3 O3","COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)N4CCNCC4;Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4","InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3","","2019-10-02","2019-10-11","1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine","2019-10-16"],["4RI","6-hexyl-5-phenyl-pyrimidine-2,4-diamine","C16 H22 N4","CCCCCCc1nc(N)nc(N)c1c2ccccc2;CCCCCCc1c(c(nc(n1)N)N)c2ccccc2","InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20)","","2021-08-05","2022-06-24","6-hexyl-5-phenyl-pyrimidine-2,4-diamine","2022-06-29"],["M30","N-cyclohexylglycine","C8 H15 N O2","O=C(O)CNC1CCCCC1;OC(=O)CNC1CCCCC1;C1CCC(CC1)NCC(=O)O","InChI=1S/C8H15NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11)","(2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide","2011-02-17","2020-06-17","N-cyclohexylglycine",""],["4RJ","6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid","C24 H21 N5 O3 S","CCc4ccc(N=C1N(C(C(S1)=[C@H]c3cc(Nc2ncc(cc2)C(=O)O)ncc3)=O)C)cc4;CCc1ccc(cc1)N=C2SC(=Cc3ccnc(Nc4ccc(cn4)C(O)=O)c3)C(=O)N2C;CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccnc(c3)Nc4ccc(cn4)C(=O)O)S2)C","InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24-","","2015-05-15","2016-07-15","6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid","2016-07-20"],["M31","N-(benzylsulfonyl)glycyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide","C22 H27 Cl N4 O4 S","O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)CNS(=O)(=O)Cc2ccccc2)CCC3;NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3;c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCCC2C(=O)NCc3cc(ccc3CN)Cl","InChI=1S/C22H27ClN4O4S/c23-19-9-8-17(12-24)18(11-19)13-25-22(29)20-7-4-10-27(20)21(28)14-26-32(30,31)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,20,26H,4,7,10,12-15,24H2,(H,25,29)/t20-/m0/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)glycyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide",""],["4RK","(2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one","C25 H22 N8 O S","CCc1ccc(cc1)N=C2N(C(C(S2)=[C@H]c5cc(Nc3ccc(cc3)c4nnnn4)ncc5)=O)C;CCc1ccc(cc1)N=C2SC(=Cc3ccnc(Nc4ccc(cc4)c5[nH]nnn5)c3)C(=O)N2C;CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)S2)C","InChI=1S/C25H22N8OS/c1-3-16-4-8-20(9-5-16)28-25-33(2)24(34)21(35-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)23-29-31-32-30-23/h4-15H,3H2,1-2H3,(H,26,27)(H,29,30,31,32)/b21-14-,28-25-","","2015-05-15","2016-07-15","(2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one","2016-07-20"],["M32","N-(benzylsulfonyl)-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide","C23 H29 Cl N4 O4 S","O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)C)CCC3;C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CN;CC(C(=O)N1CCCC1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3","InChI=1S/C23H29ClN4O4S/c1-16(27-33(31,32)15-17-6-3-2-4-7-17)23(30)28-11-5-8-21(28)22(29)26-14-19-12-20(24)10-9-18(19)13-25/h2-4,6-7,9-10,12,16,21,27H,5,8,11,13-15,25H2,1H3,(H,26,29)/t16-,21+/m1/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide",""],["4RL","N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine","C28 H42 N6 O7","C1(N(C(C(=O)NC1CC(NC(C(=O)NC(C)(C)C)C(C)CC)=O)CNC(C(N)CC(O)=O)=O)Cc2ccccc2)=O;CC[CH](C)[CH](NC(=O)C[CH]1NC(=O)[CH](CNC(=O)[CH](N)CC(O)=O)N(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C;CCC(C)C(C(=O)NC(C)(C)C)NC(=O)CC1C(=O)N(C(C(=O)N1)CNC(=O)C(CC(=O)O)N)Cc2ccccc2","InChI=1S/C28H42N6O7/c1-6-16(2)23(26(40)33-28(3,4)5)32-21(35)13-19-27(41)34(15-17-10-8-7-9-11-17)20(25(39)31-19)14-30-24(38)18(29)12-22(36)37/h7-11,16,18-20,23H,6,12-15,29H2,1-5H3,(H,30,38)(H,31,39)(H,32,35)(H,33,40)(H,36,37)/t16-,18-,19-,20-,23-/m0/s1","","2015-05-15","2016-05-27","N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine","2016-06-01"],["M33","5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine","C11 H17 N5 O9 P2","O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C;C[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H17N5O9P2/c1-26(19,20)25-27(21,22)23-2-5-7(17)8(18)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","","2007-11-05","2011-06-04","5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine",""],["4RM","(2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one","C20 H21 N3 O2 S","O=C1N(CCOC)/C(SC1=[C@H]c2ccncc2)=N/c3ccc(cc3)CC;CCc1ccc(cc1)N=C2SC(=Cc3ccncc3)C(=O)N2CCOC;CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccncc3)S2)CCOC","InChI=1S/C20H21N3O2S/c1-3-15-4-6-17(7-5-15)22-20-23(12-13-25-2)19(24)18(26-20)14-16-8-10-21-11-9-16/h4-11,14H,3,12-13H2,1-2H3/b18-14-,22-20-","","2015-05-15","2016-07-15","(2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one","2016-07-20"],["M34","N-(benzylsulfonyl)-D-leucyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide","C26 H35 Cl N4 O4 S","O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CC(C)C)CCC3;CC(C)C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CN;CC(C)CC(C(=O)N1CCCC1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3","InChI=1S/C26H35ClN4O4S/c1-18(2)13-23(30-36(34,35)17-19-7-4-3-5-8-19)26(33)31-12-6-9-24(31)25(32)29-16-21-14-22(27)11-10-20(21)15-28/h3-5,7-8,10-11,14,18,23-24,30H,6,9,12-13,15-17,28H2,1-2H3,(H,29,32)/t23-,24+/m1/s1","","2011-08-04","2012-07-27","N-(benzylsulfonyl)-D-leucyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide",""],["4RN","(2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine","C17 H19 Cl2 N5","C(CNc2nc1c(nccc1)n2)(CNCc3cc(cc(c3)Cl)Cl)C;C[CH](CNCc1cc(Cl)cc(Cl)c1)CNc2[nH]c3cccnc3n2;CC(CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2","InChI=1S/C17H19Cl2N5/c1-11(8-20-10-12-5-13(18)7-14(19)6-12)9-22-17-23-15-3-2-4-21-16(15)24-17/h2-7,11,20H,8-10H2,1H3,(H2,21,22,23,24)/t11-/m0/s1","","2015-05-15","2016-04-29","(2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine","2016-05-04"],["M35","1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide","C25 H20 F4 N4 O3 S","O=S(=O)(c1ccccc1c2ccc(c(F)c2)NC(=O)c4cc(nn4c3cccc(c3)CN)C(F)(F)F)C;C[S](=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4cccc(CN)c4)C(F)(F)F)c(F)c2;CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F","InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)","","2010-03-14","2011-06-04","1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide",""],["4RO","N-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","C16 H15 Cl2 F2 N5","c3c(CNCC(CNc2nc1c(nccc1)n2)(F)F)cc(Cl)cc3Cl;FC(F)(CNCc1cc(Cl)cc(Cl)c1)CNc2[nH]c3cccnc3n2;c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F","InChI=1S/C16H15Cl2F2N5/c17-11-4-10(5-12(18)6-11)7-21-8-16(19,20)9-23-15-24-13-2-1-3-22-14(13)25-15/h1-6,21H,7-9H2,(H2,22,23,24,25)","","2015-05-15","2016-04-29","N-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","2016-05-04"],["M36","7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid","C31 H36 O8","COc1c(CC=C(C)C)c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc1OCCCCCCC(O)=O;CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C","InChI=1S/C31H36O8/c1-18(2)11-12-20-26-22(17-24(30(20)36-5)37-15-9-7-6-8-10-25(32)33)38-23-16-21-19(13-14-31(3,4)39-21)28(34)27(23)29(26)35/h11,13-14,16-17,34H,6-10,12,15H2,1-5H3,(H,32,33)","","2019-07-26","2020-03-13","7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid","2020-03-18"],["4RP","N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","C16 H17 Cl2 N5","c3c(Cl)cc(CNCCCNc1nc2c(n1)nccc2)cc3Cl;Clc1cc(Cl)cc(CNCCCNc2[nH]c3cccnc3n2)c1;c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl","InChI=1S/C16H17Cl2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)","","2015-05-15","2016-04-29","N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","2016-05-04"],["M37","1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide","C24 H19 F4 N5 O3 S","O=S(=O)(N)c1ccccc1c2ccc(c(F)c2)NC(=O)c4cc(nn4c3c(cccc3)CN)C(F)(F)F;NCc1ccccc1n2nc(cc2C(=O)Nc3ccc(cc3F)c4ccccc4[S](N)(=O)=O)C(F)(F)F;c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N","InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)","","2010-03-14","2011-06-04","1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide",""],["4RQ","N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","C16 H16 Cl2 F N5","N(CCCNCc1cc(cc(Cl)c1)Cl)c2nc3c(n2)nc(F)cc3;Fc1ccc2[nH]c(NCCCNCc3cc(Cl)cc(Cl)c3)nc2n1;c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F","InChI=1S/C16H16Cl2FN5/c17-11-6-10(7-12(18)8-11)9-20-4-1-5-21-16-22-13-2-3-14(19)23-15(13)24-16/h2-3,6-8,20H,1,4-5,9H2,(H2,21,22,23,24)","","2015-05-15","2016-04-29","N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine","2016-05-04"],["M38","4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE","C20 H15 N O4","O=C1c4c(C2=C1c3c(C(=O)N2CCCC(=O)O)cccc3)cccc4;OC(=O)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O;c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O","InChI=1S/C20H15NO4/c22-16(23)10-5-11-21-18-13-7-2-3-8-14(13)19(24)17(18)12-6-1-4-9-15(12)20(21)25/h1-4,6-9H,5,10-11H2,(H,22,23)","","2004-04-08","2011-06-04","4-(5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)butanoic acid",""],["4RR","(4R)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE","C16 H21 N O3","O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3;COc1ccc(cc1OC2CCCC2)[CH]3CNC(=O)C3;COc1ccc(cc1OC2CCCC2)C3CC(=O)NC3","InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H","(R)-ROLIPRAM","2004-11-17","2008-10-14","(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one",""],["M39","6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C19 H15 F N4 O S","O=C2c1cnnc1N=C(N2c3ccccc3C)SCc4cc(F)ccc4;Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(F)c4;Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F","InChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23)","","2016-09-22","2017-09-22","6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2017-09-27"],["4RS","trehalose mono-butyrate","C16 H28 O12","C2(OC1C(C(O)C(O)C(COC(=O)CCC)O1)O)C(O)C(C(C(O2)CO)O)O;CCCC(=O)OC[CH]1O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C16H28O12/c1-2-3-8(18)25-5-7-10(20)12(22)14(24)16(27-7)28-15-13(23)11(21)9(19)6(4-17)26-15/h6-7,9-17,19-24H,2-5H2,1H3/t6-,7-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1","6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside","2015-05-15","2020-07-17","6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside","2016-05-25"],["M3A","5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide","C16 H13 N7 O","c1(ccc(C#N)cc1)Nc3nc(N)n(C(=O)Nc2ccccc2)n3;Nc1nc(Nc2ccc(cc2)C#N)nn1C(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N","InChI=1S/C16H13N7O/c17-10-11-6-8-13(9-7-11)19-15-21-14(18)23(22-15)16(24)20-12-4-2-1-3-5-12/h1-9H,(H,20,24)(H3,18,19,21,22)","","2019-03-19","2020-03-20","5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide","2020-03-25"],["4RT","(1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione","C24 H23 Cl F N3 O5","N13C5(N(C)C(C1=C4CCN(Cc2ccc(F)c(Cl)c2)C(=O)C4=C(C3=O)O)=O)C6(C(CC5)C6)CO;CN1C(=O)C2=C3CCN(Cc4ccc(F)c(Cl)c4)C(=O)C3=C(O)C(=O)N2[C]15CC[CH]6C[C]56CO;CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2C14CCC5C4(C5)CO)O)Cc6ccc(c(c6)Cl)F","InChI=1S/C24H23ClFN3O5/c1-27-21(33)18-14-5-7-28(10-12-2-3-16(26)15(25)8-12)20(32)17(14)19(31)22(34)29(18)24(27)6-4-13-9-23(13,24)11-30/h2-3,8,13,30-31H,4-7,9-11H2,1H3/t13-,23-,24+/m1/s1","","2015-05-15","2015-10-02","(1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione","2015-10-07"],["M3B","(1~{S})-~{N}'-(4-azanylbutyl)-~{N}\"-(2-methoxyethyl)methanetriamine","C8 H22 N4 O","COCCN[CH](N)NCCCCN;COCCNC(N)NCCCCN","InChI=1S/C8H22N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h8,11-12H,2-7,9-10H2,1H3/t8-/m0/s1","","2019-10-02","2019-12-20","(1~{S})-~{N}'-(4-azanylbutyl)-~{N}\"-(2-methoxyethyl)methanetriamine","2019-12-25"],["4RU","4-aminocinnoline-3-carboxamide","C9 H8 N4 O","NC(c2nnc1ccccc1c2N)=O;NC(=O)c1nnc2ccccc2c1N;c1ccc2c(c1)c(c(nn2)C(=O)N)N","InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)","","2015-05-15","2015-06-26","4-aminocinnoline-3-carboxamide","2015-07-01"],["M3C","(2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL","C8 H14 N2 O2 S2","OC(O)(c1nccs1)C(N)CCSC;CSCC[CH](N)C(O)(O)c1sccn1;CSCCC(C(c1nccs1)(O)O)N","InChI=1S/C8H14N2O2S2/c1-13-4-2-6(9)8(11,12)7-10-3-5-14-7/h3,5-6,11-12H,2,4,9H2,1H3/t6-/m0/s1","","2003-09-25","2011-06-04","(2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol",""],["4RV","4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide","C15 H13 N5 O","c3ncc(c2c1c(c(N)c(C(=O)N)nn1)ccc2)c(C)c3;Cc1ccncc1c2cccc3c(N)c(nnc23)C(N)=O;Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N","InChI=1S/C15H13N5O/c1-8-5-6-18-7-11(8)9-3-2-4-10-12(16)14(15(17)21)20-19-13(9)10/h2-7H,1H3,(H2,16,19)(H2,17,21)","","2015-05-15","2015-06-26","4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide","2015-07-01"],["M3D","7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide","C28 H25 N3 O4","C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5;Oc1ccc(cc1C#N)c2ccc3c(Oc4ccccc4C=C3C(=O)NCCN5CCOCC5)c2;c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5","InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33)","","2019-03-20","2019-05-03","7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide","2019-05-08"],["4RW","(4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine","C8 H14 N2 S","C12CSC(N)=NC1CCCC2;NC1=N[CH]2CCCC[CH]2CS1;C1CCC2C(C1)CSC(=N2)N","InChI=1S/C8H14N2S/c9-8-10-7-4-2-1-3-6(7)5-11-8/h6-7H,1-5H2,(H2,9,10)/t6-,7-/m1/s1","","2015-05-15","2015-06-05","(4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine","2015-06-10"],["M3E","6-phenyl-1~{H}-pyrimidine-2,4-dione","C10 H8 N2 O2","O=C1NC(=O)C=C(N1)c2ccccc2;c1ccc(cc1)C2=CC(=O)NC(=O)N2","InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)","","2019-10-02","2020-02-28","6-phenyl-1~{H}-pyrimidine-2,4-dione","2020-03-04"],["4RX","N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide","C17 H20 Cl N3 O2 S","C4(NC(c1cccc(c1)Cl)=O)CC2C3COCC2(N=C(S3)N)CC4;NC1=N[C]23CC[CH](C[CH]2[CH](COC3)S1)NC(=O)c4cccc(Cl)c4;c1cc(cc(c1)Cl)C(=O)NC2CCC34COCC(C3C2)SC(=N4)N","InChI=1S/C17H20ClN3O2S/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22)/t12-,13+,14+,17-/m0/s1","","2015-05-15","2015-06-05","N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide","2015-06-10"],["M3F","1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one","C14 H9 F3 N2 O","FC(F)(F)c3nc1c(c2c(C(=O)N1)cccc2)c(c3)C;Cc1cc(nc2NC(=O)c3ccccc3c12)C(F)(F)F;Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F","InChI=1S/C14H9F3N2O/c1-7-6-10(14(15,16)17)18-12-11(7)8-4-2-3-5-9(8)13(20)19-12/h2-6H,1H3,(H,18,19,20)","","2010-04-14","2011-06-04","1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one",""],["4RY","N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide","C17 H20 Cl N3 O2 S","C=4(SCC21COCC1(CCC(C2)NC(c3cccc(c3)Cl)=O)N=4)N;NC1=N[C]23CC[CH](C[C]2(COC3)CS1)NC(=O)c4cccc(Cl)c4;c1cc(cc(c1)Cl)C(=O)NC2CCC34COCC3(C2)CSC(=N4)N","InChI=1S/C17H20ClN3O2S/c18-12-3-1-2-11(6-12)14(22)20-13-4-5-17-9-23-8-16(17,7-13)10-24-15(19)21-17/h1-3,6,13H,4-5,7-10H2,(H2,19,21)(H,20,22)/t13-,16-,17-/m0/s1","","2015-05-15","2015-06-05","N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide","2015-06-10"],["M3H","2-phenyl-4,5-dihydro-1~{H}-imidazole","C9 H10 N2","C1CN=C(N1)c2ccccc2;c1ccc(cc1)C2=NCCN2","InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)","","2019-10-03","2020-02-28","2-phenyl-4,5-dihydro-1~{H}-imidazole","2020-03-04"],["4RZ","N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide","C15 H18 Cl N3 O S","O=C(NC2CC1C(N=C(SC1)N)CC2)c3cc(Cl)ccc3;NC1=N[CH]2CC[CH](C[CH]2CS1)NC(=O)c3cccc(Cl)c3;c1cc(cc(c1)Cl)C(=O)NC2CCC3C(C2)CSC(=N3)N","InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20)/t10-,12+,13-/m1/s1","","2015-05-15","2015-06-05","N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide","2015-06-10"],["M3I","5-methyl-1,2-oxazol-3-amine","C4 H6 N2 O","n1oc(cc1N)C;Cc1onc(N)c1;Cc1cc(no1)N","InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)","","2011-04-01","2012-03-16","5-methyl-1,2-oxazol-3-amine",""],["4S0","DENDRON D2-1","C49 H80 N10 O33","N[C](COCc1cn(nn1)C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)(COCc4cn(nn4)[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)COCc7cn(nn7)[CH]8O[CH](CO)[CH](O[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)[CH](O)[CH]8O;c1c(nnn1C2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)C5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)(COCc7cn(nn7)C8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)N","InChI=1S/C49H80N10O33/c50-49(13-81-10-16-1-57(54-51-16)43-34(75)31(72)40(22(7-63)84-43)90-46-37(78)28(69)25(66)19(4-60)87-46,14-82-11-17-2-58(55-52-17)44-35(76)32(73)41(23(8-64)85-44)91-47-38(79)29(70)26(67)20(5-61)88-47)15-83-12-18-3-59(56-53-18)45-36(77)33(74)42(24(9-65)86-45)92-48-39(80)30(71)27(68)21(6-62)89-48/h1-3,19-48,60-80H,4-15,50H2/t19-,20-,21?,22-,23-,24?,25+,26+,27?,28+,29+,30?,31-,32-,33?,34-,35+,36?,37+,38-,39?,40-,41-,42?,43?,44-,45?,46+,47+,48?,49-/m1/s1","","2014-08-08","2014-11-07","(2S,3S,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-6-[4-[[2-azanyl-3-[[1-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxy]-2-[[1-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]propoxy]methyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","2014-11-12"],["M3J","6-bromo-N~2~-phenylquinazoline-2,4-diamine","C14 H11 Br N4","c3cc(Nc2nc1ccc(Br)cc1c(N)n2)ccc3;Nc1nc(Nc2ccccc2)nc3ccc(Br)cc13;c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br","InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)","","2019-03-20","2020-03-20","6-bromo-N~2~-phenylquinazoline-2,4-diamine","2020-03-25"],["4S1","(1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol","C20 H25 N5 O3 S","c1(nc(NCCC)ncc1c2sc3c(n2)cccc3)NC4C(O)C(O)C(C4)CO;CCCNc1ncc(c(N[CH]2C[CH](CO)[CH](O)[CH]2O)n1)c3sc4ccccc4n3;CCCNc1ncc(c(n1)NC2CC(C(C2O)O)CO)c3nc4ccccc4s3","InChI=1S/C20H25N5O3S/c1-2-7-21-20-22-9-12(19-24-13-5-3-4-6-15(13)29-19)18(25-20)23-14-8-11(10-26)16(27)17(14)28/h3-6,9,11,14,16-17,26-28H,2,7-8,10H2,1H3,(H2,21,22,23,25)/t11-,14-,16-,17+/m1/s1","","2015-05-17","2015-08-28","(1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol","2015-09-02"],["M3K","2-([3R-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide","C17 H17 F2 I N2 O4","Ic1ccc(c(F)c1)Nc2cc(F)cc(OCCC(O)CO)c2C(=O)N;NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCC[CH](O)CO;c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCCC(CO)O)F","InChI=1S/C17H17F2IN2O4/c18-9-5-14(22-13-2-1-10(20)7-12(13)19)16(17(21)25)15(6-9)26-4-3-11(24)8-23/h1-2,5-7,11,22-24H,3-4,8H2,(H2,21,25)/t11-/m1/s1","","2012-04-24","2014-09-05","2-{[(3R)-3,4-dihydroxybutyl]oxy}-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide","2013-03-06"],["4S2","5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one","C20 H23 N5 O4 S","C=2(N=C(NC1CC1)NC(C=2c3sc4c(n3)cccc4)=O)NC5C(C(O)C(CO)C5)O;OC[CH]1C[CH](NC2=C(C(=O)NC(=N2)NC3CC3)c4sc5ccccc5n4)[CH](O)[CH]1O;c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)NC5CC(C(C5O)O)CO","InChI=1S/C20H23N5O4S/c26-8-9-7-12(16(28)15(9)27)22-17-14(18(29)25-20(24-17)21-10-5-6-10)19-23-11-3-1-2-4-13(11)30-19/h1-4,9-10,12,15-16,26-28H,5-8H2,(H3,21,22,24,25,29)/t9-,12-,15-,16+/m1/s1","","2015-05-17","2015-08-28","5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one","2015-09-02"],["M3L","N-TRIMETHYLLYSINE","C9 H21 N2 O2","O=C(O)C(N)CCCC[N+](C)(C)C;C[N+](C)(C)CCCC[CH](N)C(O)=O;C[N+](C)(C)CCCCC(C(=O)O)N","InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1","","1999-07-08","2024-09-27","N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",""],["4S3","5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one","C20 H24 N6 O2 S","C=2(N=C(N1CCOCC1)NC(C=2c3sc4c(n3)cccc4)=O)NC5CNCCC5;O=C1NC(=NC(=C1c2sc3ccccc3n2)N[CH]4CCCNC4)N5CCOCC5;c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)NC5CCCNC5","InChI=1S/C20H24N6O2S/c27-18-16(19-23-14-5-1-2-6-15(14)29-19)17(22-13-4-3-7-21-12-13)24-20(25-18)26-8-10-28-11-9-26/h1-2,5-6,13,21H,3-4,7-12H2,(H2,22,24,25,27)/t13-/m1/s1","","2015-05-17","2015-08-28","5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one","2015-09-02"],["M3M","3-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose","C12 H22 O11","O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1","","2009-03-17","2020-07-17","3-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose",""],["4S4","N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine","C14 H11 Br2 N3 O4","C(=O)(c1nc(c(c1)Br)Br)Nc2ccc(C(=O)NCC(O)=O)cc2;OC(=O)CNC(=O)c1ccc(NC(=O)c2[nH]c(Br)c(Br)c2)cc1;c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br","InChI=1S/C14H11Br2N3O4/c15-9-5-10(19-12(9)16)14(23)18-8-3-1-7(2-4-8)13(22)17-6-11(20)21/h1-5,19H,6H2,(H,17,22)(H,18,23)(H,20,21)","","2015-05-19","2019-09-04","N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine","2015-07-15"],["4S7","1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium","C21 H45 N3 O3 P","C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)CN=[N+]=N;CCCCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=N;CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O","InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1","octadecyl hydrogen (R)-(3-azidopropyl)phosphonate","2015-05-20","2021-03-01","1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium","2016-05-25"],["M3N","4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole","C9 H15 N3 O6","n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(CO)nn2;c1c(nnn1C2C(C(C(C(O2)CO)O)O)O)CO","InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9+/m1/s1","4-(hydroxymethyl)-1-(alpha-D-mannosyl)-1H-1,2,3-triazole; 4-(hydroxymethyl)-1-(D-mannosyl)-1H-1,2,3-triazole;\n4-(hydroxymethyl)-1-(mannosyl)-1H-1,2,3-triazole","2014-05-02","2020-07-17","4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole","2014-12-17"],["4S8","N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-sulfanylethyl)-beta-alaninamide","C11 H23 N2 O6 P S","P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS;CC(C)(COP(O)O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H23N2O6PS/c1-11(2,7-19-20(17)18)9(15)10(16)13-4-3-8(14)12-5-6-21/h9,15,17-18,21H,3-7H2,1-2H3,(H,12,14)(H,13,16)/t9-/m0/s1","","2015-05-20","2021-10-08","N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-sulfanylethyl)-beta-alaninamide","2021-10-13"],["M3O","3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate)","C16 H23 N6 O9 P S","P(OCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)OC(=O)C(CCSC)NC=O)(O)(=O)O;CSCC[CH](NC=O)C(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;CSCCC(C(=O)OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O","InChI=1S/C16H23N6O9PS/c1-33-3-2-8(21-7-23)16(25)31-12-9(4-29-32(26,27)28)30-15(11(12)24)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,15,24H,2-4H2,1H3,(H,21,23)(H2,17,18,19)(H2,26,27,28)/t8-,9+,11+,12+,15+/m0/s1","","2015-04-06","2015-05-29","3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate)","2015-06-03"],["4S9","tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate","C13 H17 Br N2 O4","c1(ccc(cc1)Br)C(C(NO)=O)NC(OC(C)(C)C)=O;CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(Br)cc1;CC(C)(C)OC(=O)NC(c1ccc(cc1)Br)C(=O)NO","InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1","","2015-05-20","2016-03-25","tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate","2016-03-30"],["M3P","(2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid","C7 H8 O4","O=C(C=CC=C(O)C(=O)O)C;CC(=O)C=CC=C(O)C(O)=O;CC(=O)C=CC=C(C(=O)O)O","InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b3-2+,6-4+","","2009-06-10","2011-06-04","(2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid",""],["M3Q","[(quinolin-8-yl)methyl]phosphonic acid","C10 H10 N O3 P","C(c1cccc2cccnc12)P(O)(=O)O;O[P](O)(=O)Cc1cccc2cccnc12;c1cc2cccnc2c(c1)CP(=O)(O)O","InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)","","2018-04-17","2019-04-12","[(quinolin-8-yl)methyl]phosphonic acid","2019-04-17"],["4SA","tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate","C19 H22 N2 O4","c2ccc(c1ccc(C(NC(OC(C)(C)C)=O)C(NO)=O)cc1)cc2;CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccccc2;CC(C)(C)OC(=O)NC(c1ccc(cc1)c2ccccc2)C(=O)NO","InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)20-16(17(22)21-24)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1","","2015-05-20","2016-03-25","tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate","2016-03-30"],["M3R","Methyl phosphonated L-Arginine","C7 H17 N4 O4 P","O=P(O)(NC(C(=O)O)CCCNC(=[N@H])N)C;C[P](O)(=O)N[CH](CCCNC(N)=N)C(O)=O;[H]N=C(N)NCCCC(C(=O)O)NP(=O)(C)O","InChI=1S/C7H17N4O4P/c1-16(14,15)11-5(6(12)13)3-2-4-10-7(8)9/h5H,2-4H2,1H3,(H,12,13)(H4,8,9,10)(H2,11,14,15)/t5-/m0/s1","(2S)-5-carbamimidamido-2-[(hydroxy-methyl-phosphoryl)amino]pentanoic acid","2009-03-20","2021-03-01","N~2~-[(R)-hydroxy(methyl)phosphoryl]-L-arginine",""],["4SB","(2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide","C17 H18 Br N3 O2","Brc2cc(/C=N/NC(=O)C(c1ccccc1)CCN)ccc2O;NCC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2ccccc2;c1ccc(cc1)C(CCN)C(=O)NN=Cc2ccc(c(c2)Br)O","InChI=1S/C17H18BrN3O2/c18-15-10-12(6-7-16(15)22)11-20-21-17(23)14(8-9-19)13-4-2-1-3-5-13/h1-7,10-11,14,22H,8-9,19H2,(H,21,23)/b20-11+/t14-/m1/s1","","2010-10-01","2011-09-23","(2R)-4-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide",""],["M3S","2-(acetyloxy)-3-methylbenzoic acid","C10 H10 O4","O=C(Oc1c(cccc1C)C(=O)O)C;CC(=O)Oc1c(C)cccc1C(O)=O;Cc1cccc(c1OC(=O)C)C(=O)O","InChI=1S/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)","","2008-11-26","2011-06-04","2-(acetyloxy)-3-methylbenzoic acid",""],["4SC","2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)","C10 H16 N3 O6 P S","O=P(O)(O)OCC1SC(CC1O)N1C=C(C)C(N)=NC1=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)S2)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2CC(C(S2)COP(=O)(O)O)O","InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(21-8)4-19-20(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1999-07-08","2022-04-07","2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)",""],["4SD","3-hydroxypentanedinitrile","C5 H6 N2 O","C(CC#N)(CC#N)O;OC(CC#N)CC#N;C(C#N)C(CC#N)O","InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2","","2015-05-21","2015-10-30","3-hydroxypentanedinitrile","2015-11-04"],["M3T","3-methylbenzenethiol","C7 H8 S","Sc1cc(ccc1)C;Cc1cccc(S)c1;Cc1cccc(c1)S","InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3","","2014-05-05","2015-03-06","3-methylbenzenethiol","2015-03-11"],["M3U","(2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide","C14 H15 F2 N5 O3","CNC(=O)[CH]1C[CH](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F;CNC(=O)C1CC(CN1C(=O)c2cc3c(c[nH]n3)nc2)OC(F)F","InChI=1S/C14H15F2N5O3/c1-17-12(22)11-3-8(24-14(15)16)6-21(11)13(23)7-2-9-10(18-4-7)5-19-20-9/h2,4-5,8,11,14H,3,6H2,1H3,(H,17,22)(H,19,20)/t8-,11+/m0/s1","","2022-07-21","2022-09-09","(2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide","2022-09-14"],["4SF","(2Z,4S)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid","C9 H17 N O2","C(C(C)C)(/C=C(C(=O)O)C)NC;CN[CH](C=C(C)C(O)=O)C(C)C;CC(C)C(C=C(C)C(=O)O)NC","InChI=1S/C9H17NO2/c1-6(2)8(10-4)5-7(3)9(11)12/h5-6,8,10H,1-4H3,(H,11,12)/b7-5-/t8-/m1/s1","","2015-05-21","2016-07-22","(2Z,4S)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid","2016-07-27"],["4SG","4-thio-alpha-D-glucopyranose","C6 H12 O5 S","OC1C(S)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)O)O)O)S)O","InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1","","2012-08-08","2020-07-17","4-thio-alpha-D-glucopyranose","2020-07-29"],["M3V","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C16 H16 N4 O4","NC(C2=NC(=[C@H]c1ccc(cc1)C#N)C(N2CC(O)=O)=O)C(O)C;C[CH](O)[CH](N)C1=NC(=Cc2ccc(cc2)C#N)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(cc2)C#N)C(=O)N1CC(=O)O)N)O","InChI=1S/C16H16N4O4/c1-9(21)14(18)15-19-12(16(24)20(15)8-13(22)23)6-10-2-4-11(7-17)5-3-10/h2-6,9,14,21H,8,18H2,1H3,(H,22,23)/b12-6-/t9-,14+/m1/s1","","2019-03-21","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-08-05"],["4SH","N-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C22 H27 N3 O3 S","O=C(c1c3c(sc1NC(=O)CN2CCOCC2)CCCC3)NCc4ccccc4;O=C(CN1CCOCC1)Nc2sc3CCCCc3c2C(=O)NCc4ccccc4;c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3","InChI=1S/C22H27N3O3S/c26-19(15-25-10-12-28-13-11-25)24-22-20(17-8-4-5-9-18(17)29-22)21(27)23-14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,27)(H,24,26)","","2011-08-22","2012-07-27","N-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["M3W","8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE","C16 H14 N2 O","Cc1ccc(cc1)C2=Nc3c(C)cccc3C(=O)N2;Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C","InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)","","2015-03-20","2016-04-08","8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one","2016-04-13"],["4SI","4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide","C23 H22 Cl N5 O","CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1Cl)c1ccc(cc1)C(N)=O;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(ccc2Cl)c3ccc(cc3)C(N)=O;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(ccc2Cl)c3ccc(cc3)C(=O)N","InChI=1S/C23H22ClN5O/c1-3-20-17(21(25)29-23(27)28-20)10-4-13(2)18-12-16(9-11-19(18)24)14-5-7-15(8-6-14)22(26)30/h5-9,11-13H,3H2,1-2H3,(H2,26,30)(H4,25,27,28,29)/t13-/m0/s1","","2021-07-14","2022-05-20","4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide","2022-05-25"],["M3X","(2~{S})-2-azanyl-6-[[4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid","C15 H27 N5 O9 P","N[CH](CCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(O)=O;c1c[n+](c(nc1N)NCCCCC(C(=O)O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C15H26N5O9P/c16-8(14(23)24)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(22)11(21)9(29-13)7-28-30(25,26)27/h4,6,8-9,11-13,21-22H,1-3,5,7,16H2,(H5,17,18,19,23,24,25,26,27)/p+1/t8-,9+,11+,12+,13+/m0/s1","lysidine 5'-monophosphate","2022-12-22","2024-03-01","(2~{S})-2-azanyl-6-[[4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid","2024-03-06"],["4SJ","N,beta,beta-trimethyl-L-phenylalanine","C12 H17 N O2","c1c(cccc1)C(C)(C)C(C(O)=O)NC;CN[CH](C(O)=O)C(C)(C)c1ccccc1;CC(C)(c1ccccc1)C(C(=O)O)NC","InChI=1S/C12H17NO2/c1-12(2,10(13-3)11(14)15)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3,(H,14,15)/t10-/m1/s1","","2015-05-21","2016-07-22","N,beta,beta-trimethyl-L-phenylalanine","2016-07-27"],["M3Y","5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide","C15 H15 N7 O3 S","c3c(ccc(Nc2nc(N)n(C(Nc1ccccc1)=O)n2)c3)S(N)(=O)=O;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21)","","2019-03-21","2020-03-20","5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide","2020-03-25"],["4SL","N,beta,beta-trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide","C27 H43 N3 O4","c1c(cccc1)C(C)(C)C(C(=O)NC(C(N(C(C(C)C)/C=C(C(=O)O)C)C)=O)C(C)(C)C)NC;CN[CH](C(=O)N[CH](C(=O)N(C)[CH](C=C(C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1;CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)c1ccccc1)NC","InChI=1S/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16-/t20-,21-,22-/m1/s1","","2015-05-21","2016-07-22","N,beta,beta-trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide","2016-07-27"],["M3Z","6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","C13 H15 N3 O2","CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2;CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2","InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)","","2019-10-03","2020-02-28","6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","2020-03-04"],["M40","(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H35 N3 O8 S","O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)C(O)S(=O)(=O)O)CC3CCCCC3;OC([CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)OCc3ccccc3)[S](O)(=O)=O;c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)NC(CC3CCNC3=O)C(O)S(=O)(=O)O","InChI=1S/C24H35N3O8S/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-20,23,30H,1,3-4,7-8,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t18-,19?,20?,23?/m0/s1","","2014-12-18","2024-09-27","(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2015-03-25"],["4SM","TETRATHIOMOLYBDATE","Mo S4","[S-][Mo]([S-])(=S)=S;[S-][Mo]([S-])(=S)=S;[S-][Mo](=S)(=S)[S-]","InChI=1S/Mo.4S/q;;;2*-1","","2009-10-20","2011-06-04","disulfido(dithioxo)molybdenum",""],["M41","N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide","C25 H33 Cl N4 O4 S","O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)C(C)C)CCC3;CC(C)[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CN;CC(C)C(C(=O)N1CCCC1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3","InChI=1S/C25H33ClN4O4S/c1-17(2)23(29-35(33,34)16-18-7-4-3-5-8-18)25(32)30-12-6-9-22(30)24(31)28-15-20-13-21(26)11-10-19(20)14-27/h3-5,7-8,10-11,13,17,22-23,29H,6,9,12,14-16,27H2,1-2H3,(H,28,31)/t22-,23+/m0/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide",""],["4SN","(6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol","C19 H32 N2 O14 S2","C1(OC(C(C(C1OC(C)=O)OC(=O)C)OC(C)=O)COC(C)=O)S(=O)(=O)NCCCCCOS(=O)(=O)N;CC(=O)OC[CH]1O[CH]([CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O)[S](=O)(=O)NCCCCCO[S](N)(=O)=O;CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C","InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16+,17+,18+,19-/m0/s1","","2015-05-21","2015-07-31","(6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol","2015-08-05"],["M42","6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one","C11 H9 N O3","O=C1C=C(c3c(N1)c2OCOc2cc3)C;CC1=CC(=O)Nc2c3OCOc3ccc12;CC1=CC(=O)Nc2c1ccc3c2OCO3","InChI=1S/C11H9NO3/c1-6-4-9(13)12-10-7(6)2-3-8-11(10)15-5-14-8/h2-4H,5H2,1H3,(H,12,13)","","2010-06-29","2012-01-06","6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one",""],["4SO","4-sulfamoylbenzoic acid","C7 H7 N O4 S","O=S(=O)(N)c1ccc(C(=O)O)cc1;N[S](=O)(=O)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)S(=O)(=O)N","InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)","","2011-03-22","2024-09-27","4-sulfamoylbenzoic acid",""],["M43","(17[2]S)-17[2]-methylthio-coenzyme F43","C43 H53 N6 Ni O13 S","O=C(O)CC%10c1n6C(=C9C8=N7C(CC4=N3[Ni+]67n2c(c1)C(C5(CC(=O)NC25CC3C(CCC(=O)O)C4(C)CC(=O)N)C)CCC(=O)O)C(CC(=O)O)C8CC(SC)C9=O)C%10CCC(=O)O;CS[CH]1C[CH]2[CH](CC(O)=O)[CH]3CC4=N5|[Ni+]|67|N3=C2C(=C8[CH](CCC(O)=O)[CH](CC(O)=O)C(=CC9=N|6[C]%10(C[CH]5[CH](CCC(O)=O)[C]4(C)CC(N)=O)NC(=O)C[C]%10(C)[CH]9CCC(O)=O)[N]78)C1=O;CC12CC(=O)NC13CC4C(C(C5=[N]4[Ni+]67[N]3=C(C2CCC(=O)O)C=C8N6C(=C9C1=[N]7C(C5)C(C1CC(C9=O)SC)CC(=O)O)C(C8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O","InChI=1S/C43H54N6O13S.Ni/c1-41(16-30(44)50)22(5-8-33(54)55)27-15-43-42(2,17-31(51)49-43)23(6-9-34(56)57)26(48-43)13-24-19(11-35(58)59)18(4-7-32(52)53)38(46-24)37-39-21(10-28(63-3)40(37)62)20(12-36(60)61)25(47-39)14-29(41)45-27;/h13,18-23,25,27-28H,4-12,14-17H2,1-3H3,(H9,44,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t18-,19-,20-,21-,22+,23+,25+,27-,28-,41-,42-,43-;/m0./s1","","2011-09-29","2011-11-25","{3,3',3''-[(1R,3S,4S,5S,8R,11S,13S,17S,18S,22S,23S,29S)-5-(2-amino-2-oxoethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-13-(methylsulfanyl)-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.1~3,6~.1~8,11~.1~16,19~.0~1,23~.0~10,15~]triaconta-6(30),9,15,19,21(27)-pentaene-4,17,22-triyl-kappa~4~N~9~,N~27~,N~28~,N~30~]tripropanoato}nickel(1+) (non-preferred name)",""],["4SP","O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE","C18 H22 N6 O3 S","O=S(=O)(N)c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4;N[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1;c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N","InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)","","2002-07-21","2011-06-04","4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide",""],["4SQ","tetraglycine phosphinate","C8 H16 N3 O6 P","C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O;NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O;C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O","InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17)","","2015-05-21","2015-10-16","N-{3-[(R)-[(glycylamino)methyl](hydroxy)phosphoryl]propanoyl}glycine","2015-10-21"],["M44","N,N'-bis(1-methylethyl)phosphorodiamidic acid","C6 H17 N2 O2 P","CC(C)N[P](O)(=O)NC(C)C;CC(C)NP(=O)(NC(C)C)O","InChI=1S/C6H17N2O2P/c1-5(2)7-11(9,10)8-6(3)4/h5-6H,1-4H3,(H3,7,8,9,10)","","2010-01-18","2011-06-04","bis(propan-2-ylamino)phosphinic acid",""],["4SR","(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE","C16 H21 N O3","O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3;COc1ccc(cc1OC2CCCC2)[CH]3CNC(=O)C3;COc1ccc(cc1OC2CCCC2)C3CC(=O)NC3","InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H","(S)-ROLIPRAM","2004-11-18","2009-09-29","(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one",""],["M45","~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine","C6 H11 N5","C1CN[CH](C1)Nc2[nH]ncn2;c1nc([nH]n1)NC2CCCN2","InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1","","2019-10-03","2020-02-28","~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine","2020-03-04"],["M46","7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine","C20 H22 F N3","Fc1cccc(c1)CCCNCCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1;c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N","InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)","","2013-10-08","2014-09-05","7-(2-{[3-(3-fluorophenyl)propyl]amino}ethyl)quinolin-2-amine","2014-02-19"],["4SS","(S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one","C28 H28 Cl N5 O4","c5(ccc(C3N(c1c(cc(C)cc1)OCc2nnnn2)C(=O)Cc4c3cc(c(c4)OCC)OCC)cc5)Cl;CCOc1cc2CC(=O)N([CH](c3ccc(Cl)cc3)c2cc1OCC)c4ccc(C)cc4OCc5[nH]nnn5;CCOc1cc2c(cc1OCC)C(N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl","InChI=1S/C28H28ClN5O4/c1-4-36-24-13-19-14-27(35)34(22-11-6-17(3)12-23(22)38-16-26-30-32-33-31-26)28(18-7-9-20(29)10-8-18)21(19)15-25(24)37-5-2/h6-13,15,28H,4-5,14,16H2,1-3H3,(H,30,31,32,33)/t28-/m0/s1","","2015-05-21","2015-07-17","(1S)-1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-(1H-tetrazol-5-ylmethoxy)phenyl]-1,4-dihydroisoquinolin-3(2H)-one","2015-07-22"],["M48","7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine","C19 H20 F N3","Fc1cccc(c1)CCNCCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1;c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N","InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)","","2013-11-05","2014-09-05","7-(2-{[2-(3-fluorophenyl)ethyl]amino}ethyl)quinolin-2-amine","2014-02-19"],["4ST","1,2,3,4-TETRAHYDROGEN-STAUROSPORINE","C28 H30 N4 O3","O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8CCCCc8n2c7c35;CC12C(C(CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC","InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1","AFN941","2005-03-14","2020-06-17","(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one",""],["M49","N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide","C14 H17 N3 O3","O=C(Nc1cc2c(cc1)NC(=O)C2CCNC(=O)C)C;CC(=O)NCC[CH]1C(=O)Nc2ccc(NC(C)=O)cc12;CC(=O)NCCC1c2cc(ccc2NC1=O)NC(=O)C","InChI=1S/C14H17N3O3/c1-8(18)15-6-5-11-12-7-10(16-9(2)19)3-4-13(12)17-14(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)/t11-/m1/s1","","2012-08-31","2013-07-05","N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide","2013-07-10"],["4SU","4-THIOURIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O8 P S","S=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=S)NC2=O;C1=CN(C(=O)NC1=S)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","1-(5-O-phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1H)-one",""],["M4A","2-methylquinolin-4-amine","C10 H10 N2","n1c(cc(c2ccccc12)N)C;Cc1cc(N)c2ccccc2n1;Cc1cc(c2ccccc2n1)N","InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)","","2011-02-07","2011-06-10","2-methylquinolin-4-amine",""],["4SV","3-AMINOPYRIDINE-4-CARBOXYLIC ACID","C6 H6 N2 O2","Nc1cnccc1C(O)=O;c1cncc(c1C(=O)O)N","InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)","","2015-11-27","2016-01-22","3-azanylpyridine-4-carboxylic acid","2016-01-27"],["4SW","(2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine","C9 H21 N O3","COCCOC[CH](C)OC[CH](C)N;CC(COC(C)COCCOC)N","InChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9+/m0/s1","","2021-07-07","2021-11-26","(2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine","2021-12-01"],["M4B","6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one","C11 H9 N3 O3","CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O;CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-]","InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)","","2019-10-03","2020-02-28","6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one","2020-03-04"],["4SX","3,4-dihydroxybenzenesulfonic acid","C6 H6 O5 S","O=S(c1cc(c(cc1)O)O)(O)=O;Oc1ccc(cc1O)[S](O)(=O)=O;c1cc(c(cc1S(=O)(=O)O)O)O","InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)","","2015-04-07","2015-08-21","3,4-dihydroxybenzenesulfonic acid","2015-08-26"],["M4C","N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)","C11 H18 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(NC)C=C1)C(OC)C2O;CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC;CNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)OC","InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1","","2011-01-18","2012-05-30","N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)",""],["M4D","5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine","C18 H27 N3","CCCCCc1cc2c(CCCCN)cccc2nc1N;CCCCCc1cc2c(cccc2nc1N)CCCCN","InChI=1S/C18H27N3/c1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20/h7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21)","","2015-07-07","2016-07-15","5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine","2016-07-20"],["4SY","tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate","C17 H22 N4 O4","c1(ccc(cc1)c2cnn(c2)C)C(NC(OC(C)(C)C)=O)C(=O)NO;Cn1cc(cn1)c2ccc(cc2)[CH](NC(=O)OC(C)(C)C)C(=O)NO;CC(C)(C)OC(=O)NC(c1ccc(cc1)c2cnn(c2)C)C(=O)NO","InChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1","","2015-05-21","2016-03-25","tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate","2016-03-30"],["PT3","N-PROPYL-TARTRAMIC ACID","C7 H13 N O5","O=C(NCCC)C(O)C(O)C(=O)O;CCCNC(=O)[CH](O)[CH](O)C(O)=O;CCCNC(=O)C(C(C(=O)O)O)O","InChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1","","1999-09-23","2011-06-04","(2R,3R)-2,3-dihydroxy-4-oxo-4-(propylamino)butanoic acid",""],["4SZ","tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate","C19 H19 F3 N2 O4","CC(OC(NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)=O)(C)C;CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2;CC(C)(C)OC(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO","InChI=1S/C19H19F3N2O4/c1-19(2,3)28-18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m0/s1","","2015-05-21","2016-03-25","tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate","2016-03-30"],["4T0","N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide","C32 H35 N5 O4 S","c1(cc2ccnc(c2cc1)N)NC(C(N4CCCC4c3cc(NC(C)=O)ccc3S(=O)(=O)C(C)C)=O)c5ccccc5;CC(C)[S](=O)(=O)c1ccc(NC(C)=O)cc1[CH]2CCCN2C(=O)[CH](Nc3ccc4c(N)nccc4c3)c5ccccc5;CC(C)S(=O)(=O)c1ccc(cc1C2CCCN2C(=O)C(c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C","InChI=1S/C32H35N5O4S/c1-20(2)42(40,41)29-14-12-25(35-21(3)38)19-27(29)28-10-7-17-37(28)32(39)30(22-8-5-4-6-9-22)36-24-11-13-26-23(18-24)15-16-34-31(26)33/h4-6,8-9,11-16,18-20,28,30,36H,7,10,17H2,1-3H3,(H2,33,34)(H,35,38)/t28-,30-/m1/s1","","2015-05-21","2015-07-17","N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide","2015-07-22"],["PT4","PLATINUM (IV) ION","Pt","[Pt+4];[Pt+4];[Pt+4]","InChI=1S/Pt/q+4","","2004-12-08","2019-12-07","platinum(4+)",""],["PT5","[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho\nryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate","C47 H85 O19 P3","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1","Phosphatidylinositol 4,5-bisphosphate; PtdIns(4,5)P2","2009-04-22","2020-06-17","[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (8~{Z})-icosa-5,8,11,14-tetraenoate",""],["4T1","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione","C28 H27 N5 O2","C1(c3ccc(CCCC(Nc2cccc(CNC1=O)c2)=O)cc3)Nc5ccc4c(nccc4c5)N;Nc1nccc2cc(N[CH]3C(=O)NCc4cccc(NC(=O)CCCc5ccc3cc5)c4)ccc12;c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)C(C(=O)NC2)Nc4ccc5c(c4)ccnc5N","InChI=1S/C28H27N5O2/c29-27-24-12-11-23(16-21(24)13-14-30-27)33-26-20-9-7-18(8-10-20)3-2-6-25(34)32-22-5-1-4-19(15-22)17-31-28(26)35/h1,4-5,7-16,26,33H,2-3,6,17H2,(H2,29,30)(H,31,35)(H,32,34)/t26-/m1/s1","","2015-05-21","2015-07-17","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione","2015-07-22"],["PT6","1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one","C19 H20 N2 O2 S","O=C2C=C(OCCc1sccc1)C=CN2Cc3cccc(N)c3C;Cc1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3;Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3","InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3","","2014-03-22","2014-04-11","1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one","2014-04-16"],["4T2","tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate","C20 H24 N4 O5","CC(OC(NC(c1ccc(cc1)c2cccc(c2)C(=NO)N)C(=O)NO)=O)(C)C;CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cccc(c2)C(N)=NO;CC(C)(C)OC(=O)NC(c1ccc(cc1)c2cccc(c2)C(=NO)N)C(=O)NO","InChI=1S/C20H24N4O5/c1-20(2,3)29-19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1","","2015-05-21","2016-03-25","tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate","2016-03-30"],["PT7","chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+)","C29 H23 Cl N P Pt","[Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4ccccc4)(c5ccccc5)c6ccccc6;Cl[Pt++]c1ccccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5ccccc5;c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl","InChI=1S/C18H15P.C11H8N.ClH.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-15H;1-6,8-9H;1H;/q;;;+2","PtII(2-phenylpyridine)(tri-phenylphosphine)Cl","2018-07-18","2021-03-01","chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+)","2018-11-14"],["4T3","2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine","C17 H21 N7 S","c23c(nc(N1CCC(CC1)N)nc2ccs3)Nc5cc(C4CC4)nn5;NC1CCN(CC1)c2nc(Nc3cc([nH]n3)C4CC4)c5sccc5n2;c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N","InChI=1S/C17H21N7S/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)","","2015-05-21","2015-06-26","2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine","2015-07-01"],["PT9","[Pt(H2bapbpy)] platinum","C20 H16 N6 Pt","[Pt].N(c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3;C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2","InChI=1S/C20H16N6.Pt/c1-3-13-21-17(9-1)25-19-11-5-7-15(23-19)16-8-6-12-20(24-16)26-18-10-2-4-14-22-18;/h1-14H,(H,21,23,25)(H,22,24,26);","","2017-11-28","2019-05-24","","2019-05-29"],["4T4","(S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one","C38 H47 Cl N4 O4","CN6CCN(C5CCC(CN(c1ccc(cc1)N3C(c2ccc(Cl)cc2)c4c(CC3=O)cc(c(c4)OC(C)C)OC)C)CC5)CC6=O;COc1cc2CC(=O)N([CH](c3ccc(Cl)cc3)c2cc1OC(C)C)c4ccc(cc4)N(C)C[CH]5CC[CH](CC5)N6CCN(C)C(=O)C6;CC(C)Oc1cc2c(cc1OC)CC(=O)N(C2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C","InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1","NVP-CGM097","2015-05-21","2021-03-01","(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl}amino)phenyl]-7-(propan-2-yloxy)-1,4-dihydroisoquinolin-3(2H)-one","2015-07-29"],["PTA","[(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PHOSPHINOYL]-ACETIC ACID","C7 H16 N O4 P","O=C(O)CP(=O)(O)C(N)CC(C)C;CC(C)C[CH](N)[P](O)(=O)CC(O)=O;CC(C)CC(N)P(=O)(CC(=O)O)O","InChI=1S/C7H16NO4P/c1-5(2)3-6(8)13(11,12)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1","","1999-07-08","2011-06-04","[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]acetic acid",""],["4T5","N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine","C17 H25 N7","n2c(NCC1CCC(N)CC1)nccc2Nc3cc(nn3)C4CC4;N[CH]1CC[CH](CC1)CNc2nccc(Nc3[nH]nc(c3)C4CC4)n2;c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N","InChI=1S/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-","","2015-05-21","2015-06-26","N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine","2015-07-01"],["PTB","(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[(2R)-PYRROLIDIN-2-YL]METHANONE","C11 H17 N3 O2","O=C(c1nnc(o1)C(C)(C)C)C2NCCC2;CC(C)(C)c1oc(nn1)C(=O)[CH]2CCCN2;CC(C)(C)c1nnc(o1)C(=O)C2CCCN2","InChI=1S/C11H17N3O2/c1-11(2,3)10-14-13-9(16-10)8(15)7-5-4-6-12-7/h7,12H,4-6H2,1-3H3/t7-/m0/s1","2-PROLYL-5-TERT-BUTYL-[1,3,4]OXADIAZOLE","2004-07-02","2021-03-13","(5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2S)-pyrrolidin-2-yl]methanone",""],["4T6","N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine","C18 H17 Cl N8","c21ncnc1ccc(c2Cl)CNc3nccc(n3)Nc5cc(C4CC4)nn5;Clc1c(CNc2nccc(Nc3cc([nH]n3)C4CC4)n2)ccc5nc[nH]c15;c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2","InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)","","2015-05-21","2015-06-26","N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine","2015-07-01"],["PTC","2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID","C12 H14 N O7 P","O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O;CNC(=O)[CH]1[CH]([CH]1c2ccc(O[P](O)(O)=O)cc2)C(O)=O;CNC(=O)C1C(C1C(=O)O)c2ccc(cc2)OP(=O)(O)O","InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1","","2001-11-13","2011-12-12","(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid",""],["4T7","(1R)-1-(naphthalen-2-yl)ethane-1,2-diol","C12 H12 O2","c1c(ccc2c1cccc2)C(CO)O;OC[CH](O)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)C(CO)O","InChI=1S/C12H12O2/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-14H,8H2/t12-/m0/s1","","2015-05-21","2015-06-12","(1R)-1-(naphthalen-2-yl)ethane-1,2-diol","2015-06-17"],["4T8","5'-({[(2R,3R)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine","C25 H44 N9 O12 P S2","OP(OCC(C(C(NCCC(NCCSC(CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)C(N)CO)=O)=O)O)(C)C)O;CC(C)(COP(O)O)[CH](O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH](N)CO;CC(C)(COP(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(CO)N)O","InChI=1S/C25H44N9O12PS2/c1-25(2,10-45-47(41)42)20(39)23(40)29-4-3-16(36)28-5-6-48-15(13(26)8-35)9-49(43,44)33-7-14-18(37)19(38)24(46-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39,41-42H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)/t13-,14-,15+,18-,19-,20+,24-/m1/s1","","2015-05-21","2015-12-24","5'-({[(2R,3R)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine","2015-12-29"],["PTD","PENTANEDIAL","C5 H8 O2","O=CCCCC=O;O=CCCCC=O;C(CC=O)CC=O","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2","","2000-07-12","2024-09-27","pentanedial",""],["PTE","TUNGSTOPTERIN COFACTOR","C20 H22 Mg N10 O14 P2 S4 W","O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C(N[CH]6C8=C5S[W]9(SC4=C3S9)S8)C(=O)NC(=N7)N)C(=O)N1;C1C2C3=C(C4C(O2)NC5=C(N4)C(=O)NC(=N5)N)S[W]6(S3)SC7=C(S6)C8C(NC9=C(N8)C(=O)NC(=N9)N)OC7COP(=O)(O[Mg](OP(=O)(O1)O)([O])[O])O","InChI=1S/2C10H14N5O6PS2.Mg.2H2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;2*1H2;/q;;+4;;;+4/p-8/t2*2-,3+,9-;;;;/m11..../s1","","1999-07-08","2025-01-10","(5~{R},14~{R},16~{R},26~{R},28~{R},37~{R})-10,32-bis(azanyl)-21,21-bis($l^{1}-oxidanyl)-19,23-bis(oxidanyl)-19,23-bis(oxidanylidene)-15,18,20,22,24,27-hexaoxa-2,40,41,42-tetrathia-6,9,11,13,29,31,33,36-octaza-19$l^{5},23$l^{5}-diphospha-1$l^{4}-tungsta-21$l^{4}-magnesanonacyclo[36.2.1.1^{1,4}.0^{3,16}.0^{5,14}.0^{7,12}.0^{26,39}.0^{28,37}.0^{30,35}]dotetraconta-3,7(12),10,30(35),31,38-hexaene-8,34-dione",""],["4T9","N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","C18 H17 N5 O2","O(c1ccc(cc1OC)Nc4ncc3c(nc(c2cnnc2)c3)c4)C;COc1ccc(Nc2cc3[nH]c(cc3cn2)c4c[nH]nc4)cc1OC;COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2","InChI=1S/C18H17N5O2/c1-24-16-4-3-13(6-17(16)25-2)22-18-7-15-11(8-19-18)5-14(23-15)12-9-20-21-10-12/h3-10,23H,1-2H3,(H,19,22)(H,20,21)","","2013-09-05","2014-09-05","N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine","2013-12-04"],["PTF","[(METHYLSULFANYL)METHYL]BENZENE","C8 H10 S","benzyl methyl sulfide;CSCc1ccccc1;CSCc1ccccc1","InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3","","2003-11-24","2011-08-06","[(methylsulfanyl)methyl]benzene",""],["4TA","P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE","C20 H25 N7 O20 P4","CC1=CN([CH]2C[CH](O)[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/p-4/t9-,10+,11+,12+,14+,15+,19+/m0/s1","","2003-05-20","2012-01-05","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate",""],["PTG","(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid","C20 H28 O3","O=C1C=CC(C/1=CC=CCCCCC)C/C=C/CCCC(=O)O;CCCCCC=CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O;CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O","InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1","15-deoxy-delta(12,14)-prostaglandin J2","2008-03-16","2024-09-27","(5E,12Z,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid",""],["4TB","4-(2-THIENYL)BUTYRIC ACID","C8 H10 O2 S","O=C(O)CCCc1sccc1;OC(=O)CCCc1sccc1;c1cc(sc1)CCCC(=O)O","InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)","","1999-07-08","2011-06-04","4-thiophen-2-ylbutanoic acid",""],["4TC","P1-(5'-ADENOSINE)P4-(5'-URIDINE)-BETA,GAMMA-METHYLENE TETRAPHOSPHATE","C20 H29 N7 O20 P4","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N","InChI=1S/C20H29N7O20P4/c21-16-11-17(23-5-22-16)27(6-24-11)19-15(32)13(30)9(45-19)4-43-51(40,41)47-49(36,37)7-48(34,35)46-50(38,39)42-3-8-12(29)14(31)18(44-8)26-2-1-10(28)25-20(26)33/h1-2,5-6,8-9,12-15,18-19,29-32H,3-4,7H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H2,21,22,23)(H,25,28,33)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1","","2006-09-01","2011-06-04","[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",""],["PTH","CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE","C10 H14 N O7 P","O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O;N[CH](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)CO)OP(=O)(O)O","InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1","","1999-07-08","2024-09-27","3-(hydroxymethyl)-O-phosphono-L-tyrosine",""],["PTI","2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL","C28 H32 N2 O2","O(c1ccc(cc1)C4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5;Oc1ccc2[CH](N(CCc2c1)c3ccccc3)c4ccc(OCCN5CCCCC5)cc4;c1ccc(cc1)N2CCc3cc(ccc3C2c4ccc(cc4)OCCN5CCCCC5)O","InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1","","2003-04-11","2011-06-04","(1R)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol",""],["4TD","(2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol","C17 H36 O8","O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C;C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O;CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O","InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1","tetraerythritol propoxylate","2014-01-08","2021-03-01","(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name)","2014-04-09"],["PTJ","5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine","C16 H25 N5 O13 P2","O=P(O)(O)OCC(C)(C)C(O)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)O)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C16H25N5O13P2/c1-16(2,4-32-35(26,27)28)11(24)15(25)34-36(29,30)31-3-7-9(22)10(23)14(33-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-11,14,22-24H,3-4H2,1-2H3,(H,29,30)(H2,17,18,19)(H2,26,27,28)/t7-,9-,10-,11+,14-/m1/s1","","2013-06-26","2014-03-28","5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine","2014-04-02"],["4TE","(1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","C9 H12 O5","C1(C(C2CC(C1O2)C)C(O)=O)C(O)=O;C[CH]1C[CH]2O[CH]1[CH]([CH]2C(O)=O)C(O)=O;CC1CC2C(C(C1O2)C(=O)O)C(=O)O","InChI=1S/C9H12O5/c1-3-2-4-5(8(10)11)6(9(12)13)7(3)14-4/h3-7H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,5-,6-,7+/m0/s1","","2015-05-21","2016-04-22","(1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","2016-04-27"],["PTK","pyrene-1,3,6,8-tetrasulfonic acid","C16 H10 O12 S4","O=S(=O)(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O;O[S](=O)(=O)c1cc(c2ccc3c4c(ccc1c24)c(cc3[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)","1,3,6,8-pyrenetetrasulfonic acid","2009-08-27","2021-03-13","pyrene-1,3,6,8-tetrasulfonic acid",""],["4TF","(1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","C12 H18 O6","O=C(C1C(C(=O)O)C2OC1CC2COCCC)O;CCCOC[CH]1C[CH]2O[CH]1[CH]([CH]2C(O)=O)C(O)=O;CCCOCC1CC2C(C(C1O2)C(=O)O)C(=O)O","InChI=1S/C12H18O6/c1-2-3-17-5-6-4-7-8(11(13)14)9(12(15)16)10(6)18-7/h6-10H,2-5H2,1H3,(H,13,14)(H,15,16)/t6-,7+,8+,9+,10-/m0/s1","","2015-05-21","2016-04-22","(1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","2016-04-27"],["PTL","PENTANAL","C5 H10 O","O=CCCCC;CCCCC=O;CCCCC=O","InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","","1999-07-08","2024-09-27","pentanal",""],["4TG","dTDP-4,6-dideoxy-4-formamido-glucose","C17 H27 N3 O15 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(NC=O)C(O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1NC=O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O","InChI=1S/C17H27N3O15P2/c1-7-4-20(17(26)19-15(7)25)11-3-9(22)10(33-11)5-31-36(27,28)35-37(29,30)34-16-14(24)13(23)12(18-6-21)8(2)32-16/h4,6,8-14,16,22-24H,3,5H2,1-2H3,(H,18,21)(H,27,28)(H,29,30)(H,19,25,26)/t8-,9+,10-,11-,12-,13+,14-,16-/m1/s1","","2013-12-12","2013-12-20","(2R,3R,4S,5S,6R)-5-(formylamino)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2013-12-25"],["4TH","(S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one","C33 H34 Cl N3 O3","c1(Cl)ccc(cc1)C4c5c(CC(N4c3ccc(N(Cc2ccncc2)C)cc3)=O)cc(c(c5)OC(C)CC)OC;CC[CH](C)Oc1cc2[CH](N(C(=O)Cc2cc1OC)c3ccc(cc3)N(C)Cc4ccncc4)c5ccc(Cl)cc5;CCC(C)Oc1cc2c(cc1OC)CC(=O)N(C2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5","InChI=1S/C33H34ClN3O3/c1-5-22(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-8-26(34)9-7-24)28-12-10-27(11-13-28)36(3)21-23-14-16-35-17-15-23/h6-18,20,22,33H,5,19,21H2,1-4H3/t22-,33+/m1/s1","","2015-05-22","2015-07-24","(1S)-7-[(2R)-butan-2-yloxy]-1-(4-chlorophenyl)-6-methoxy-2-{4-[methyl(pyridin-4-ylmethyl)amino]phenyl}-1,4-dihydroisoquinolin-3(2H)-one","2015-07-29"],["PTM","ALPHA-METHYL-O-PHOSPHOTYROSINE","C10 H14 N O6 P","O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O;C[C](N)(Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O;CC(Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N","InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1","","2001-09-19","2024-09-27","alpha-methyl-O-phosphono-L-tyrosine",""],["PTN","PLATINUM TRIAMINE ION","H9 N3 Pt","N.N.N.[Pt++];[NH3][Pt+2]([NH3])[NH3]","InChI=1S/3H3N.Pt/h3*1H3;/q;;;+2","","1999-07-08","2023-09-23","tris($l^{4}-azanyl)platinum(2+)",""],["4TI","TITANIUM ION","Ti","[Ti+4];[Ti+4];[Ti+4]","InChI=1S/Ti/q+4","","2015-11-17","2016-04-22","Titanium","2016-04-27"],["PTO","PSEUDOTROPINE","C8 H15 N O","OC2CC1N(C)C(CC1)C2;CN1[CH]2CC[CH]1CC(O)C2;CN1C2CCC1CC(C2)O","InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-","","1999-07-08","2011-06-04","(3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol",""],["4TJ","2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate","C50 H66 N8 O12 S2","N1(C(c6c(N(C)C1=O)nc(CCCC(NCCOCCOCCNC(=O)CCCCCN2/C(C(c3c2cc(cc3)S(O)(=O)=O)(C)C)=CC=CC=CC4=[N+](c5ccc(cc5C4(C)C)S(=O)([O-])=O)CC)=O)n6)=O)C;CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCOCCOCCNC(=O)CCCc3[nH]c4C(=O)N(C)C(=O)N(C)c4n3)c5cc(ccc5C2(C)C)[S](O)(=O)=O)C(C)(C)c6cc(ccc16)[S]([O-])(=O)=O;CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C","InChI=1S/C50H66N8O12S2/c1-8-57-38-24-22-34(71(63,64)65)32-37(38)50(4,5)40(57)16-11-9-12-17-41-49(2,3)36-23-21-35(72(66,67)68)33-39(36)58(41)27-14-10-13-19-43(59)51-25-28-69-30-31-70-29-26-52-44(60)20-15-18-42-53-45-46(54-42)55(6)48(62)56(7)47(45)61/h9,11-12,16-17,21-24,32-33H,8,10,13-15,18-20,25-31H2,1-7H3,(H4-,51,52,53,54,59,60,61,63,64,65,66,67,68)","","2015-05-22","2015-07-24","2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate","2015-07-29"],["PTP","THYMIDINE-3',5'-DIPHOSPHATE","C10 H16 N2 O11 P2","O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)O","InChI=1/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h11,15-16,18-19H","","1999-07-08","2008-10-14","thymidine 3',5'-bis(dihydrogen phosphate)",""],["4TK","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide","C13 H17 Br N2 O3","C(c1ccc(Br)cc1)(NC(=O)C(C)(C)C)C(=O)NO;CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(Br)cc1;CC(C)(C)C(=O)NC(c1ccc(cc1)Br)C(=O)NO","InChI=1S/C13H17BrN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1","","2015-05-22","2016-03-25","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide","2016-03-30"],["PTQ","2-phenylethyl 1-thio-beta-D-galactopyranoside","C14 H20 O5 S","S(CCc1ccccc1)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](SCCc2ccccc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)CCSC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1","2-Phenylethyl beta-D-thiogalactoside, PETG","2010-08-26","2020-06-17","2-phenylethyl 1-thio-beta-D-galactopyranoside",""],["4TL","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide","C19 H19 F3 N2 O3","CC(C)(C(NC(c1ccc(cc1)c2cc(F)c(F)c(F)c2)C(=O)NO)=O)C;CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2;CC(C)(C)C(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO","InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m1/s1","","2015-05-22","2016-03-25","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide","2016-03-30"],["PTR","O-PHOSPHOTYROSINE","C9 H12 N O6 P","O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O;N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O","InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1","PHOSPHONOTYROSINE","1999-07-08","2026-01-30","O-phosphono-L-tyrosine",""],["4TM","N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide","C17 H20 N2 O3 S","CC(C)(C(NC(c1ccc(cc1)c2ccsc2)C(=O)NO)=O)C;CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cscc2;CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccsc2)C(=O)NO","InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1","","2015-05-22","2016-03-25","N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide","2016-03-30"],["PTS","(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE","C8 H12 N2 O4 S3","O=S(=O)(c1sc2c(c1)C(N)CC(C)S2(=O)=O)N;C[CH]1C[CH](N)c2cc(sc2[S]1(=O)=O)[S](N)(=O)=O;CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N","InChI=1S/C8H12N2O4S3/c1-4-2-6(9)5-3-7(17(10,13)14)15-8(5)16(4,11)12/h3-4,6H,2,9H2,1H3,(H2,10,13,14)/t4-,6-/m0/s1","","1999-07-08","2011-06-04","(4S,6S)-4-amino-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide",""],["4TN","(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID","C25 H30 O4","O=C(O)C=Cc3cc(c1c(OCC)cc2c(c1)C(CCC2(C)C)(C)C)c(O)cc3;CCOc1cc2c(cc1c3cc(C=CC(O)=O)ccc3O)C(C)(C)CCC2(C)C;CCOc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C25H30O4/c1-6-29-22-15-20-19(24(2,3)11-12-25(20,4)5)14-18(22)17-13-16(7-9-21(17)26)8-10-23(27)28/h7-10,13-15,26H,6,11-12H2,1-5H3,(H,27,28)/b10-8+","","2007-03-27","2011-06-04","(2E)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]prop-2-enoic acid",""],["4TO","(4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide","C26 H20 F3 N5 O2","FC(F)(F)c1cc(ccc1)c2ccc3c(n2)N(C4CN3CC4)C(=O)Nc5cc(ccc5)c6ocnc6;FC(F)(F)c1cccc(c1)c2ccc3[N]4CC[CH](C4)N(C(=O)Nc5cccc(c5)c6ocnc6)c3n2;c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N(C4CCN3C4)C(=O)Nc5cccc(c5)c6cnco6","InChI=1S/C26H20F3N5O2/c27-26(28,29)18-5-1-3-16(11-18)21-7-8-22-24(32-21)34(20-9-10-33(22)14-20)25(35)31-19-6-2-4-17(12-19)23-13-30-15-36-23/h1-8,11-13,15,20H,9-10,14H2,(H,31,35)/t20-/m0/s1","","2015-05-22","2015-07-10","(4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide","2015-07-15"],["PTT","TUNGSTOPTERIN","C21 H25 Mg N10 O13 P2 S4 W","O=P7(O)OCC2OC8Nc9nc(nc(OC)c9NC8C=1S[W]3(SC=12)(SC4=C(S3)C(OC5NC=6N=C(N)NC(=O)C=6NC45)COP(=O)(O)O[Mg]O7)O)N;COc1nc(N)nc2N[CH]3O[CH]4CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C(N[CH]6C8=C5S[W]9(O)(SC4=C(S9)[CH]3Nc12)S8)C(=O)NC(=N7)N;COc1c2c(nc(n1)N)NC3C(N2)C4=C5C(O3)COP(=O)(O[Mg]OP(=O)(OCC6C7=C(C8C(O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O","InChI=1S/C11H16N5O6PS2.C10H14N5O6PS2.Mg.H2O.W/c1-20-9-5-8(15-11(12)16-9)14-10-4(13-5)7(25)6(24)3(22-10)2-21-23(17,18)19;11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h3-4,10,13,24-25H,2H2,1H3,(H2,17,18,19)(H3,12,14,15,16);2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;1H2;/q;;+2;;+5/p-7/t3-,4+,10-;2-,3+,9-;;;/m11.../s1","","1999-07-08","2012-01-05","hydroxy-bis{mu-[(R)phosphate]}magnesiumtungsten",""],["PTU","2-ETHYL-1-PHENYL-ISOTHIOUREA","C9 H12 N2 S","S(C(=N/c1ccccc1)N)CC;CCSC(N)=Nc1ccccc1;CCSC(=Nc1ccccc1)N","InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)","S-ETHYL-N-PHENYL-ISOTHIOUREA","1999-09-22","2020-06-17","ethyl N'-phenylimidothiocarbamate",""],["4TP","4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE","C4 H10 N O7 P","O=P(O)(O)OCC(O)C(C(=O)O)N;N[CH]([CH](O)CO[P](O)(O)=O)C(O)=O;C(C(C(C(=O)O)N)O)OP(=O)(O)O","InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1","","2003-06-27","2011-06-04","4-(phosphonooxy)-L-threonine",""],["PTV","2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone","C13 H10 N4 O S2","O=C(c1sccc1)CSc3nc(c2ccncc2)nn3;O=C(CSc1n[nH]c(n1)c2ccncc2)c3sccc3;c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3","InChI=1S/C13H10N4OS2/c18-10(11-2-1-7-19-11)8-20-13-15-12(16-17-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,16,17)","","2012-12-27","2013-04-26","2-{[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethanone","2013-05-01"],["4TQ","(3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide","C26 H22 F3 N5 O2","FC(F)(F)c1cc(ccc1)c2ccc3c(n2)N(C(CN3C)C)C(=O)Nc4cc(ccc4)c5ocnc5;C[CH]1CN(C)c2ccc(nc2N1C(=O)Nc3cccc(c3)c4ocnc4)c5cccc(c5)C(F)(F)F;CC1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C","InChI=1S/C26H22F3N5O2/c1-16-14-33(2)22-10-9-21(17-5-3-7-19(11-17)26(27,28)29)32-24(22)34(16)25(35)31-20-8-4-6-18(12-20)23-13-30-15-36-23/h3-13,15-16H,14H2,1-2H3,(H,31,35)/t16-/m0/s1","","2015-05-22","2015-07-10","(3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide","2015-07-15"],["4TR","2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE","C16 H13 Br N6 O3 S","O=S(=O)(Oc1ccc(cc1Br)CN(n2cnnc2)c3ccc(C#N)cc3)N;N[S](=O)(=O)Oc1ccc(CN(n2cnnc2)c3ccc(cc3)C#N)cc1Br;c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3","InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)","4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE","2004-10-13","2021-03-13","2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate",""],["PTW","1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane","C6 H12 N3 P","N13CN2CN(CP(C1)C2)C3;C1N2CN3CN1CP(C2)C3;C1N2CN3CN1CP(C2)C3","InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2","1,3,5-Triaza-7-phosphaadamantane","2010-05-06","2020-06-17","1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane",""],["4TS","5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine","C21 H23 Cl N4 O2","Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)c3cccc(Cl)c3;c1ccc(cc1)OCCCOCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl","InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26)","","2021-08-05","2022-06-24","5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine","2022-06-29"],["PTX","{[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID","C7 H11 N4 O5 P S","O=P(O)(O)CNC(=O)C(=NOC)/c1nc(sc1)N;CON=C(C(=O)NC[P](O)(O)=O)c1csc(N)n1;CON=C(c1csc(n1)N)C(=O)NCP(=O)(O)O","InChI=1S/C7H11N4O5PS/c1-16-11-5(4-2-18-7(8)10-4)6(12)9-3-17(13,14)15/h2H,3H2,1H3,(H2,8,10)(H,9,12)(H2,13,14,15)/b11-5-","","2003-11-24","2024-09-27","({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)phosphonic acid",""],["PTY","PHOSPHATIDYLETHANOLAMINE","C40 H80 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN","InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1","","2002-04-01","2024-09-27","(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl icosanoate",""],["4TT","4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole","C14 H13 N3","n4cc3c(c2c(c1ccccc1n2)CCC3)n4;C1Cc2cn[nH]c2c3[nH]c4ccccc4c3C1;c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3","InChI=1S/C14H13N3/c1-2-7-12-10(5-1)11-6-3-4-9-8-15-17-13(9)14(11)16-12/h1-2,5,7-8,16H,3-4,6H2,(H,15,17)","","2011-11-11","2012-08-10","4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole",""],["PTZ","5-methyl-4-phenyl-1,3-thiazol-2-amine","C10 H10 N2 S","n2c(c1ccccc1)c(sc2N)C;Cc1sc(N)nc1c2ccccc2;Cc1c(nc(s1)N)c2ccccc2","InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)","2-Amino-5-methyl-4-phenylthiazole","2010-04-27","2021-06-25","5-methyl-4-phenyl-1,3-thiazol-2-amine","2021-06-30"],["4TU","5-chloranyl-2,3-dihydroindole-1-carboxamide","C9 H9 Cl N2 O","NC(=O)N1CCc2cc(Cl)ccc12;c1cc2c(cc1Cl)CCN2C(=O)N","InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)","","2016-05-04","2016-07-29","5-chloranyl-2,3-dihydroindole-1-carboxamide","2016-08-03"],["PU","PUROMYCIN-N-AMINOPHOSPHONIC ACID","C22 H30 N7 O8 P","O=P(O)(O)NC(C(=O)NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)Cc4ccc(OC)cc4;COc1ccc(C[CH](N[P](O)(O)=O)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc4)OC)NP(=O)(O)O)O","InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(24-10-23-19)29(11-25-17)22-18(31)16(15(9-30)37-22)26-21(32)14(27-38(33,34)35)8-12-4-6-13(36-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9H2,1-3H3,(H,26,32)(H3,27,33,34,35)/t14-,15+,16+,18+,22+/m0/s1","","2000-08-02","2011-06-04","3'-deoxy-N,N-dimethyl-3'-[(O-methyl-N-phosphono-L-tyrosyl)amino]adenosine",""],["4TV","8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one","C23 H24 Cl N5 O","Cn5cc(c1ccc(cc1)c2c(c(cnc2)Cl)N4CCC3(C(NCC3)=O)CC4)cn5;Cn1cc(cn1)c2ccc(cc2)c3cncc(Cl)c3N4CCC5(CCNC5=O)CC4;Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl","InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)","","2015-05-26","2015-10-09","8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one","2015-10-14"],["PU0","9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE","C18 H22 F N5 O2","Fc1nc(c2nc(n(c2n1)CCCC)Cc3cc(OC)ccc3OC)N;CCCCn1c(Cc2cc(OC)ccc2OC)nc3c(N)nc(F)nc13;CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC","InChI=1S/C18H22FN5O2/c1-4-5-8-24-14(21-15-16(20)22-18(19)23-17(15)24)10-11-9-12(25-2)6-7-13(11)26-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,20,22,23)","","2004-03-02","2011-06-04","9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-9H-purin-6-amine",""],["4TW","N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide","C18 H16 F N3 O3 S2","CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3cc(ncc3)F;C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(c2)c3ccnc(F)c3)c1;CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F","InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)","","2015-05-26","2015-06-05","N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide","2015-06-10"],["PU1","8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE","C20 H21 Cl F N5 O3","Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(nc(F)nc2n3CCCC#C)N;COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC;COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N","InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)","","2004-03-02","2011-06-04","8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine",""],["4TX","5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid","C15 H22 O3","c1c(OCCCC(C(=O)O)(C)C)c(ccc1C)C;Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1;Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C","InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)","","2015-05-27","2015-07-31","5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid","2015-08-05"],["PU2","8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE","C14 H14 F N5 O2","Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC;COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1;COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC","InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20)","","2004-03-02","2011-06-04","8-(2,5-dimethoxybenzyl)-2-fluoro-7H-purin-6-amine",""],["4TY","tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate","C13 H17 Br N2 O4","c1(ccc(cc1)Br)C(C(NO)=O)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(Br)cc1;CC(C)(C)OC(=O)NC(c1ccc(cc1)Br)C(=O)NO","InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1","","2015-05-27","2016-03-25","tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate","2016-03-30"],["PU3","9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE","C19 H25 N5 O3","n1c(c2nc(n(c2nc1)CCCC)Cc3cc(OC)c(OC)c(OC)c3)N;CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc3c(N)ncnc13;CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H25N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h8-9,11H,5-7,10H2,1-4H3,(H2,20,21,22)","","2004-03-02","2011-06-04","9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine",""],["4TZ","4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE","C16 H14 N6 O3 S","O=S(=O)(Oc1ccc(cc1)CN(n2cnnc2)c3ccc(C#N)cc3)N;N[S](=O)(=O)Oc1ccc(CN(n2cnnc2)c3ccc(cc3)C#N)cc1;c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N","InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24)","4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE","2005-02-01","2020-06-17","4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate",""],["PU4","9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE","C17 H21 N5 O","n1c(c2nc(n(c2nc1)CCCC)Cc3ccc(OC)cc3)N;CCCCn1c(Cc2ccc(OC)cc2)nc3c(N)ncnc13;CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC","InChI=1S/C17H21N5O/c1-3-4-9-22-14(10-12-5-7-13(23-2)8-6-12)21-15-16(18)19-11-20-17(15)22/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20)","","2004-03-02","2011-06-04","9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine",""],["4U0","(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-gal\nactopyranosyl-(1->4)-beta-D-glucopyranose","C23 H39 N O19","C2(C(O)C(C(OC1C(CO)OC(O)C(C1O)O)OC2COC3(OC(C(C(C3)O)NC(=O)C)C(C(CO)O)O)C(O)=O)O)O;CC(=O)N[CH]1[CH](O)C[C](OC[CH]2O[CH](O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)O)O","InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+,21-,23+/m0/s1","","2015-05-27","2020-07-17","(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose","2015-11-18"],["PU5","9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE","C17 H21 N5 O","n1c(c2nc(n(c2nc1)CCCC)Cc3cccc(OC)c3)N;CCCCn1c(Cc2cccc(OC)c2)nc3c(N)ncnc13;CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC","InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)","","2004-03-02","2011-06-04","9-butyl-8-(3-methoxybenzyl)-9H-purin-6-amine",""],["4U1","(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-gal\nactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","C25 H42 N2 O19","C2(C(O)C(C(OC1C(C(NC(C)=O)C(OC1CO)O)O)OC2COC3(OC(C(C(C3)O)NC(=O)C)C(C(CO)O)O)C(O)=O)O)O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)[CH](O)[CH](O)[CH]2O)[CH]1O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)NC(=O)C)O)CO)O)O)O)O","InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1","","2015-05-27","2020-07-17","(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","2015-11-18"],["PU6","8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-","C17 H19 N5 O2","O1c2ccc(cc2OC1)Cc3nc4c(ncnc4n3CCCC)N;CCCCn1c(Cc2ccc3OCOc3c2)nc4c(N)ncnc14;CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4","InChI=1S/C17H19N5O2/c1-2-3-6-22-14(21-15-16(18)19-9-20-17(15)22)8-11-4-5-12-13(7-11)24-10-23-12/h4-5,7,9H,2-3,6,8,10H2,1H3,(H2,18,19,20)","","2004-03-02","2011-06-04","8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-amine",""],["4U2","(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-gal\nactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","C25 H42 N2 O19","C2(C(C(C(OC1C(C(NC(C)=O)C(OC1CO)O)O)OC2CO)O)OC3(OC(C(C(C3)O)NC(=O)C)C(O)C(CO)O)C(O)=O)O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)[CH]2O)[CH]1O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)O)CO)CO)O)O","InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1","","2015-05-27","2020-07-17","(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","2015-11-18"],["PU7","9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE","C18 H23 N5 O2","n1c(c2nc(n(c2nc1)CCCC)Cc3cc(OC)ccc3OC)N;CCCCn1c(Cc2cc(OC)ccc2OC)nc3c(N)ncnc13;CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC","InChI=1S/C18H23N5O2/c1-4-5-8-23-15(22-16-17(19)20-11-21-18(16)23)10-12-9-13(24-2)6-7-14(12)25-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21)","","2004-03-02","2011-06-04","9-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine",""],["4U3","5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)","C9 H13 Cl N3 O7 P","C1(N=C(N)C(Cl)=CN1C2OC(COP(=O)(O)O)C(O)C2)=O;NC1=NC(=O)N(C=C1Cl)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O","InChI=1S/C9H13ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","5-Chloro-5'-deoxycytidine","2015-05-27","2020-06-17","5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)","2015-08-19"],["4U5","N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide","C17 H22 N4 O3","CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cnn(c2)C)=O;Cn1cc(cn1)c2ccc(cc2)[CH](NC(=O)C(C)(C)C)C(=O)NO;CC(C)(C)C(=O)NC(c1ccc(cc1)c2cnn(c2)C)C(=O)NO","InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m1/s1","","2015-05-27","2016-03-25","N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide","2016-03-30"],["PU8","9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE","C19 H24 Cl N5 O3","Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCCC)N;CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc3c(N)ncnc13;CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC","InChI=1S/C19H24ClN5O3/c1-5-6-7-25-13(24-15-18(21)22-10-23-19(15)25)9-11-8-12(26-2)16(27-3)17(28-4)14(11)20/h8,10H,5-7,9H2,1-4H3,(H2,21,22,23)","","2004-03-02","2011-06-04","9-butyl-8-(2-chloro-3,4,5-trimethoxybenzyl)-9H-purin-6-amine",""],["PU9","8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE","C20 H22 Cl N5 O3","Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCCC#C)N;COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC;COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N","InChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24)","","2004-03-02","2011-06-04","8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-yn-1-yl-9H-purin-6-amine",""],["4U6","N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide","C20 H24 N4 O4","CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cc(ccc2)/C(N)=N/O)=O;CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cccc(c2)C(N)=NO;CC(C)(C)C(=O)NC(c1ccc(cc1)c2cccc(c2)C(=NO)N)C(=O)NO","InChI=1S/C20H24N4O4/c1-20(2,3)19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m1/s1","","2015-05-27","2016-03-25","N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide","2016-03-30"],["PUA","ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-URIDINE-5'-PHOSPHATE]-3'-PHOSPHATE]","C19 H27 N7 O20 P4","O=C1C=CN(C(=O)N1)C5OC(COP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C5;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5C=CC(=O)NC5=O)[CH](O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4CC(OC4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N","InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1","U-PI-A-PI","1999-07-08","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-[(phosphonooxy)methyl]tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name)",""],["4U7","[(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)","C7 H15 B F2 N O5","FC(F)C(N)(C(=O)O)CCCC[B-](O)(O)O;N[C](CCCC[B-](O)(O)O)(C(F)F)C(O)=O;[B-](CCCCC(C(F)F)(C(=O)O)N)(O)(O)O","InChI=1S/C7H15BF2NO5/c9-5(10)7(11,6(12)13)3-1-2-4-8(14,15)16/h5,14-16H,1-4,11H2,(H,12,13)/q-1/t7-/m1/s1","","2011-06-28","2011-07-15","[(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)",""],["PUB","PHYCOUROBILIN","C33 H42 N4 O6","CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1","","1999-07-08","2024-09-27","3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid",""],["4U8","5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid","C28 H29 N O3","O(c4ccc(n1c(C(O)=O)cc3c1ccc(c2ccc(cc2)C(C)(C)C)c3)cc4)C(C)C;CC(C)Oc1ccc(cc1)n2c(cc3cc(ccc23)c4ccc(cc4)C(C)(C)C)C(O)=O;CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C","InChI=1S/C28H29NO3/c1-18(2)32-24-13-11-23(12-14-24)29-25-15-8-20(16-21(25)17-26(29)27(30)31)19-6-9-22(10-7-19)28(3,4)5/h6-18H,1-5H3,(H,30,31)","","2015-05-27","2015-06-05","5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid","2015-06-10"],["4U9","5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine","C23 H11 Br Cl F4 N3","C(c3ncc(c2nc(c1c(Cl)cccc1F)nc2Br)cc3)#Cc4ccc(cc4)C(F)(F)F;Fc1cccc(Cl)c1c2[nH]c(c(Br)n2)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F;c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F","InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32)","","2015-05-27","2015-07-02","5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine","2015-07-07"],["PUC","(5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid","C21 H34 O4","CCCCC[CH](O)C=C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O","InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1","15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid","2010-02-04","2020-06-17","(Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid",""],["4UA","4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide","C29 H35 N3 O4 S","COc1ccc(C)cc1[S](=O)(=O)NCC2(CCN(CC2)C(=O)NCc3ccc(C)cc3)c4ccccc4;Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4","InChI=1S/C29H35N3O4S/c1-22-9-12-24(13-10-22)20-30-28(33)32-17-15-29(16-18-32,25-7-5-4-6-8-25)21-31-37(34,35)27-19-23(2)11-14-26(27)36-3/h4-14,19,31H,15-18,20-21H2,1-3H3,(H,30,33)","","2015-03-08","2015-05-08","4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]-4-phenyl-piperidine-1-carboxamide","2015-05-13"],["PUD","6-deoxy-L-psicose","C6 H12 O5","C(O)(C(C)O)C(C(CO)=O)O;C[CH](O)[CH](O)[CH](O)C(=O)CO;CC(C(C(C(=O)CO)O)O)O","InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6+/m0/s1","","2015-03-30","2016-03-18","6-deoxy-L-psicose","2016-03-23"],["4UB","3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE","C15 H11 N5","n3cc2ncc(c1ccccc1)n2cc3c4cnnc4;[nH]1cc(cn1)c2cn3c(cn2)ncc3c4ccccc4;c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4","InChI=1S/C15H11N5/c1-2-4-11(5-3-1)14-8-17-15-9-16-13(10-20(14)15)12-6-18-19-7-12/h1-10H,(H,18,19)","","2010-05-19","2011-06-04","3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine",""],["PUE","(3~{R})-1-phenylpyrrolidine-3-carboxylic acid","C11 H13 N O2","OC(=O)[CH]1CCN(C1)c2ccccc2;c1ccc(cc1)N2CCC(C2)C(=O)O","InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)/t9-/m1/s1","","2020-04-27","2020-05-08","(3~{R})-1-phenylpyrrolidine-3-carboxylic acid","2020-05-13"],["4UC","N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide","C26 H23 N3 O5 S","c4(ccc(NC(c3c1ccccc1nc(c2ccc(OCC)cc2)c3)=O)cc4)S(=O)(=O)NC(=O)C;CCOc1ccc(cc1)c2cc(C(=O)Nc3ccc(cc3)[S](=O)(=O)NC(C)=O)c4ccccc4n2;CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C","InChI=1S/C26H23N3O5S/c1-3-34-20-12-8-18(9-13-20)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-19-10-14-21(15-11-19)35(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)","","2015-05-28","2015-08-14","N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide","2015-08-19"],["PUF","6-deoxy-alpha-L-psicofuranose","C6 H12 O5","C(O)C1(C(C(O)C(O1)C)O)O;C[CH]1O[C](O)(CO)[CH](O)[CH]1O;CC1C(C(C(O1)(CO)O)O)O","InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5-,6+/m0/s1","6-deoxy-alpha-L-psicose; 6-deoxy-L-psicose; 6-deoxy-psicose","2015-03-30","2020-07-17","6-deoxy-alpha-L-psicofuranose","2016-03-23"],["4UD","(2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid","C5 H8 N2 O3","C1=NOC(C(C(O)=O)N)C1;N[CH]([CH]1CC=NO1)C(O)=O;C1C=NOC1C(C(=O)O)N","InChI=1S/C5H8N2O3/c6-4(5(8)9)3-1-2-7-10-3/h2-4H,1,6H2,(H,8,9)/t3-,4-/m0/s1","","2015-05-28","2016-05-13","(2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid","2016-05-18"],["PUG","3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)","C10 H14 N4 O7","O=C1C2=C(NC(=O)N1)N(C(=O)N2)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)NC2=C1NC(=O)NC2=O;C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O","InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1","","2005-12-09","2011-06-04","1-deoxy-1-(2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)-D-arabinitol",""],["PUI","4-methyl-1,5-naphthyridin-2-amine","C9 H9 N3","Cc1cc(N)nc2cccnc12;Cc1cc(N)nc2cccnc12;Cc1cc(nc2c1nccc2)N","InChI=1S/C9H9N3/c1-6-5-8(10)12-7-3-2-4-11-9(6)7/h2-5H,1H3,(H2,10,12)","","2022-05-29","2022-09-30","4-methyl-1,5-naphthyridin-2-amine","2022-10-05"],["4UE","ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate","C15 H15 N3 O2","c1(cc2cc(nc2cc1)C(OCC)=O)c3cncn3C;CCOC(=O)c1[nH]c2ccc(cc2c1)c3cncn3C;CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C","InChI=1S/C15H15N3O2/c1-3-20-15(19)13-7-11-6-10(4-5-12(11)17-13)14-8-16-9-18(14)2/h4-9,17H,3H2,1-2H3","","2015-05-28","2015-06-12","ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate","2015-06-17"],["4UF","4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid","C24 H22 N4 O5","c1c4cc(C(=O)OCC)nc4ccc1c3cc(C(=O)NCc2ccc(C(=O)O)cc2)nn3C;CCOC(=O)c1[nH]c2ccc(cc2c1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(O)=O;CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O","InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)","","2015-05-28","2015-06-12","4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid","2015-06-17"],["PUJ","(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz\no[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium","C39 H48 F2 N3 O5 Si","c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCCOCCOCCCCCC)=O)C(O)=O)=C6C=CC(=[N+]4/CC(F)C4)C=C6[Si]5(C)C;CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3C=C[C](C=C3[Si](C)(C)c4cc(ccc24)N5CC(F)C5)=[N+]6C[CH](F)C6;CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O","InChI=1S/C39H47F2N3O5Si/c1-4-5-6-7-15-48-17-18-49-16-14-42-38(45)26-8-11-31(39(46)47)34(19-26)37-32-12-9-29(43-22-27(40)23-43)20-35(32)50(2,3)36-21-30(10-13-33(36)37)44-24-28(41)25-44/h8-13,19-21,27-28H,4-7,14-18,22-25H2,1-3H3,(H-,42,45,46,47)/p+1","JF635","2019-08-23","2020-09-25","(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium","2020-09-30"],["4UG","(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butanenitrile","C9 H15 N3 O2","N[CH](C[CH]1CCCNC1=O)[CH](O)C#N;C1CC(C(=O)NC1)CC(C(C#N)O)N","InChI=1S/C9H15N3O2/c10-5-8(13)7(11)4-6-2-1-3-12-9(6)14/h6-8,13H,1-4,11H2,(H,12,14)/t6-,7-,8-/m0/s1","","2015-05-29","2015-11-20","(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butanenitrile","2015-11-25"],["PUK","N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine","C18 H22 N2 O2","O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2;N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2;c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N","InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1","","2009-02-06","2024-09-27","N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine",""],["PUL","(1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX\nACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE","C47 H66 O13","O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC=CC1O)C(C)C(O)C(C(=O)C=CC=CC=CC(O)C(OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C;CO[CH]1[CH](C)O[CH](O[CH](C)[CH](O)C=CC=CC=CC(=O)[CH](C)[CH](O)[CH](C)[CH]2CC=CC=CC=C[CH](O)C(=O)C(=CC=CC(=C[CH](O)C(=CCC(=O)O2)C)C)C)[CH](OC)[CH]1O;CC1C(C(C(C(O1)OC(C)C(C=CC=CC=CC(=O)C(C)C(C(C)C2CC=CC=CC=CC(C(=O)C(=CC=CC(=CC(C(=CCC(=O)O2)C)O)C)C)O)O)O)OC)O)OC","InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26+,31-21+/t32-,33-,34+,35-,37+,38+,39-,40+,43-,44+,45+,46-,47-/m1/s1","PULVOMYCIN","2005-11-18","2020-06-17","(1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2S,4E,6E,8E,10S,12E,14E,16E,18R,19E)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxooxacyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-O-methyl-beta-D-galactopyranoside",""],["4UH"," Amphotericin B","C47 H73 N O17","O=C(O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2;C[CH]1O[CH](O[CH]2C[CH]3O[C](O)(C[CH](O)C[CH](O)[CH](O)CC[CH](O)C[CH](O)CC(=O)O[CH](C)[CH](C)[CH](O)[CH](C)C=CC=CC=CC=CC=CC=CC=C2)C[CH](O)[CH]3C(O)=O)[CH](O)[CH](N)[CH]1O;CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O","InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1","(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid","2021-07-14","2024-06-11","(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid","2022-03-09"],["4UI","5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide","C22 H17 F N2 O2 S2","ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(F)ccc24)c5ccccc5)cc1;c1ccc(cc1)C2Cc3c(c4cc(ccc4n3Cc5ccc(s5)C(=O)NO)F)S2","InChI=1S/C22H17FN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1","","2021-07-07","2022-07-22","5-[[(2~{R})-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide","2022-07-27"],["PUM","(1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol","C17 H26 N8 O9","O=C1C(=CNC(N1)=O)C2OC(C(C2O)O)CNC(=O)C(N(O)C(=O)CN/C(N)=N)CCC(N)=O;NC(=N)NCC(=O)N(O)[CH](CCC(N)=O)C(=O)NC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O;C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CNC(=O)C(CCC(=O)N)N(C(=O)CNC(=N)N)O)O)O","InChI=1S/C17H26N8O9/c18-9(26)2-1-7(25(33)10(27)5-22-16(19)20)15(31)21-4-8-11(28)12(29)13(34-8)6-3-23-17(32)24-14(6)30/h3,7-8,11-13,28-29,33H,1-2,4-5H2,(H2,18,26)(H,21,31)(H4,19,20,22)(H2,23,24,30,32)/t7-,8+,11+,12+,13-/m0/s1","pseudouridimycin","2017-02-13","2021-03-01","(1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol","2017-07-05"],["4UJ","2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide","C16 H11 Cl N2 O S","c3cc(Cl)c(C(Nc1scc(n1)c2ccccc2)=O)cc3;Clc1ccccc1C(=O)Nc2scc(n2)c3ccccc3;c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl","InChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)","","2015-05-29","2016-04-08","2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide","2016-04-13"],["PUN","2,2,4,4,6,6,8-heptamethylnonane","C16 H34","CC(CC(CC(CC(C)C)(C)C)(C)C)(C)C;CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C;CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C","InChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3","","2014-07-24","2015-01-09","2,2,4,4,6,6,8-heptamethylnonane","2015-01-14"],["PUO","1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one","C24 H24 Cl F N2 O3","CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl;CCC(=O)N1CCN2Cc3cc(c(c(c3OCC2C1)F)c4c(cccc4Cl)O)C#CC","InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1","","2022-10-04","2024-09-27","1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one","2023-07-12"],["4UK","N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide","C22 H21 Cl F2 N4 O2","O=C(NCc1ccc(C(F)F)c(c1)C(=O)Nc3ncc(c2ccc(cc2)Cl)n3)C(C)C;CC(C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(Cl)cc3;CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F","InChI=1S/C22H21ClF2N4O2/c1-12(2)20(30)26-10-13-3-8-16(19(24)25)17(9-13)21(31)29-22-27-11-18(28-22)14-4-6-15(23)7-5-14/h3-9,11-12,19H,10H2,1-2H3,(H,26,30)(H2,27,28,29,31)","","2015-05-29","2016-04-08","N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide","2016-04-13"],["PUP","(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate","C14 H22 N2 O15 P2","O=P(OC1C(O)COC1CO)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3OP(=O)(O)O;OC[CH]1OC[CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)N3C=CC(=O)NC3=O;C1C(C(C(O1)CO)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O","InChI=1S/C14H22N2O15P2/c17-3-7-11(6(18)4-27-7)31-33(25,26)28-5-8-12(30-32(22,23)24)10(20)13(29-8)16-2-1-9(19)15-14(16)21/h1-2,6-8,10-13,17-18,20H,3-5H2,(H,25,26)(H,15,19,21)(H2,22,23,24)/t6-,7+,8+,10+,11-,12+,13+/m0/s1","","2014-03-04","2014-03-07","(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name)","2014-03-12"],["4UL","2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide","C23 H22 F5 N5 O2","O=C(NCc1cnc(C(F)F)c(c1)C(=O)Nc3nc(C)c(c2ccc(cc2)C(F)(F)F)n3)C(C)C;CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc2[nH]c(C)c(n2)c3ccc(cc3)C(F)(F)F;Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F","InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)","","2015-05-29","2016-04-08","2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide","2016-04-13"],["PUQ","pelargonidin 3-O-beta-D-glucoside","C21 H22 O10","OC[CH]1O[CH](OC2=Cc3c(O)cc(O)cc3O[CH]2c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O","InChI=1S/C21H22O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-28H,8H2/t16-,17-,18+,19-,20?,21+/m0/s1","(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol","2020-04-28","2021-03-13","(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol","2020-11-18"],["4UM","ethyl 5-carbamoyl-1H-indole-2-carboxylate","C12 H12 N2 O3","C(=O)(OCC)c1cc2c(n1)ccc(C(N)=O)c2;CCOC(=O)c1[nH]c2ccc(cc2c1)C(N)=O;CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N","InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)","","2015-05-29","2015-06-12","ethyl 5-carbamoyl-1H-indole-2-carboxylate","2015-06-17"],["PUR","PURINE RIBOSIDE","C10 H13 N4 O4","OCC3OC(n2c[nH+]c1cncnc12)C(O)C3O;OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3cncnc23;c1c2c(ncn1)n(c[nH+]2)C3C(C(C(O3)CO)O)O","InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/p+1/t6-,7-,8-,10-/m1/s1","","1999-07-08","2011-06-04","9-beta-D-ribofuranosyl-9H-purin-7-ium",""],["4UN","{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID","C21 H21 N5 O5 S","O=S(=O)(O)Nc1ccc(cc1)CC(c2nc(on2)C)(c3nc(on3)C)Cc4ccccc4;Cc1onc(n1)C(Cc2ccccc2)(Cc3ccc(N[S](O)(=O)=O)cc3)c4noc(C)n4;Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C","InChI=1S/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29)","","2006-05-16","2011-06-04","{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid",""],["4UO","2,3-dihydroxanthosine","C10 H12 N4 O6","O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O","InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1","Xanthosine","2015-06-01","2020-06-17","2,3-dihydroxanthosine","2015-07-01"],["PUS","(E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine","C12 H17 N4 O9 P","N(/C(CONC(N)=O)C(O)=O)=Cc1c(c(ncc1COP(O)(=O)O)C)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CONC(N)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CONC(=O)N)C(=O)O)O","InChI=1S/C12H17N4O9P/c1-6-10(17)8(7(2-14-6)4-25-26(21,22)23)3-15-9(11(18)19)5-24-16-12(13)20/h2-3,9,17H,4-5H2,1H3,(H,18,19)(H3,13,16,20)(H2,21,22,23)/b15-3+/t9-/m0/s1","","2015-03-18","2015-07-24","(E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine","2015-07-29"],["4UP","6-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide","C19 H16 N2 O","[N@H]=C(N)c2ccc1cc(ccc1c2)C4OC4c3ccccc3;NC(=N)c1ccc2cc(ccc2c1)[CH]3O[CH]3c4ccccc4;c1ccc(cc1)C2C(O2)c3ccc4cc(ccc4c3)C(=N)N","InChI=1S/C19H16N2O/c20-19(21)16-9-7-13-10-15(8-6-14(13)11-16)18-17(22-18)12-4-2-1-3-5-12/h1-11,17-18H,(H3,20,21)/t17-,18-/m0/s1","","2012-07-01","2012-08-17","6-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide",""],["PUT","1,4-DIAMINOBUTANE","C4 H12 N2","NCCCCN;NCCCCN;C(CCN)CN","InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2","PUTRESCINE","1999-07-08","2021-03-01","butane-1,4-diamine",""],["4UQ","6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide","C33 H40 N6 O4","c1(ccc(cc1)Nc4nc(N2CC(CCC2)NC(c3ccc(cc3)C(C)(C)C)=O)ccc4C(N)=O)C(=O)N5CCOCC5;CC(C)(C)c1ccc(cc1)C(=O)N[CH]2CCCN(C2)c3ccc(C(N)=O)c(Nc4ccc(cc4)C(=O)N5CCOCC5)n3;CC(C)(C)c1ccc(cc1)C(=O)NC2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N","InChI=1S/C33H40N6O4/c1-33(2,3)24-10-6-22(7-11-24)31(41)36-26-5-4-16-39(21-26)28-15-14-27(29(34)40)30(37-28)35-25-12-8-23(9-13-25)32(42)38-17-19-43-20-18-38/h6-15,26H,4-5,16-21H2,1-3H3,(H2,34,40)(H,35,37)(H,36,41)/t26-/m1/s1","","2015-06-01","2015-09-18","6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide","2015-09-23"],["PUU","(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","C21 H18 Cl N3 O2","CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21;CC(=O)N1CC[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc14;CC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C21H18ClN3O2/c1-13(26)25-9-8-17(18-10-15(22)6-7-20(18)25)21(27)24-19-12-23-11-14-4-2-3-5-16(14)19/h2-7,10-12,17H,8-9H2,1H3,(H,24,27)/t17-/m1/s1","","2023-08-18","2023-11-03","(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["PUV","2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","C23 H22 F N3 O5 S","c1cc(cc(c1C(O)=O)F)Oc2cc3c(cc2OC)CCNC3(C)CC(Nc4nccs4)=O;COc1cc2CCN[C](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(C(O)=O)c(F)c4;CC1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4","InChI=1S/C23H22FN3O5S/c1-23(12-20(28)27-22-25-7-8-33-22)16-11-19(18(31-2)9-13(16)5-6-26-23)32-14-3-4-15(21(29)30)17(24)10-14/h3-4,7-11,26H,5-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t23-/m1/s1","","2019-08-26","2019-11-01","2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","2019-11-06"],["4UR","3'2'-cGAMP","C20 H24 N10 O13 P2","C45C(C(OP(OCC3C(C(C(n2c1N=C(N)NC(c1nc2)=O)O3)O)OP(OC4)(=O)O)(O)=O)C(O5)n6c7c(nc6)c(ncn7)N)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3O)O[CH]5n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)19-13-10(31)6(40-19)1-38-44(34,35)42-12-7(2-39-45(36,37)43-13)41-18(11(12)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","2-amino-9-[(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-14-yl]-1,9-dihydro-6H-purin-6-one","2015-06-01","2021-03-13","2-amino-9-[(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-14-yl]-1,9-dihydro-6H-purin-6-one","2015-06-24"],["PUW","N-(PHOSPHONOACETYL)-PUTRESCINE","C6 H15 N2 O4 P","O=C(NCCCCN)CP(=O)(O)O;NCCCCNC(=O)C[P](O)(O)=O;C(CCNC(=O)CP(=O)(O)O)CN","InChI=1S/C6H15N2O4P/c7-3-1-2-4-8-6(9)5-13(10,11)12/h1-5,7H2,(H,8,9)(H2,10,11,12)","","2011-11-21","2014-05-22","{2-[(4-aminobutyl)amino]-2-oxoethyl}phosphonic acid",""],["4US","4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide","C25 H23 Cl N4 O2","c2cc(C(=O)N1CCN(CC1)C)cc3nc5c(c23)c(c4c(cccc4)Cl)ccc5C(=O)N;CN1CCN(CC1)C(=O)c2ccc3c([nH]c4c(ccc(c5ccccc5Cl)c34)C(N)=O)c2;CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl","InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)","","2015-06-01","2015-09-18","4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide","2015-09-23"],["PUX","8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE","C17 H18 F N5 O2","Fc1nc2n(c(nc2c(n1)N)Cc3ccc4OCOc4c3)CCCC;CCCCn1c(Cc2ccc3OCOc3c2)nc4c(N)nc(F)nc14;CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4","InChI=1S/C17H18FN5O2/c1-2-3-6-23-13(20-14-15(19)21-17(18)22-16(14)23)8-10-4-5-11-12(7-10)25-9-24-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,19,21,22)","","2004-03-02","2011-06-04","8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine",""],["4UT","4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide","C27 H29 N5 O2","c2(ccc(N1CCN(CC)CC1)cc2)C(=O)Nc3nnc5c3ccc(c4cccc(c4)OC)c5;CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3[nH]nc4cc(ccc34)c5cccc(OC)c5;CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC","InChI=1S/C27H29N5O2/c1-3-31-13-15-32(16-14-31)22-10-7-19(8-11-22)27(33)28-26-24-12-9-21(18-25(24)29-30-26)20-5-4-6-23(17-20)34-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,28,29,30,33)","","2015-06-02","2015-06-12","4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide","2015-06-17"],["4UU","5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine","C19 H20 N5 O9 P","c4nc3n(C2C(C(C(COP(OC(=O)[C@H]=CC1=CCC(C=C1)=O)(O)=O)O2)O)O)cnc3c(n4)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)C=CC4=CCC(=O)C=C4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C=CC4=CCC(=O)C=C4)O)O)N","InChI=1S/C19H20N5O9P/c20-17-14-18(22-8-21-17)24(9-23-14)19-16(28)15(27)12(32-19)7-31-34(29,30)33-13(26)6-3-10-1-4-11(25)5-2-10/h1-4,6,8-9,12,15-16,19,27-28H,5,7H2,(H,29,30)(H2,20,21,22)/b6-3+/t12-,15-,16-,19-/m1/s1","","2015-06-02","2016-05-06","5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine","2016-05-11"],["PUY","PUROMYCIN","C22 H29 N7 O5","O=C(NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)C(N)Cc4ccc(OC)cc4;COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc4)OC)N)O","InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1","","2003-08-25","2011-06-04","3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine",""],["4UV","5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine","C19 H18 N5 O10 P","OP(OC([C@H]=CC=1C=CC(=O)C(C=1)=O)=O)(OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)C=CC4=CC(=O)C(=O)C=C4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C=CC4=CC(=O)C(=O)C=C4)O)O)N","InChI=1S/C19H18N5O10P/c20-17-14-18(22-7-21-17)24(8-23-14)19-16(29)15(28)12(33-19)6-32-35(30,31)34-13(27)4-2-9-1-3-10(25)11(26)5-9/h1-5,7-8,12,15-16,19,28-29H,6H2,(H,30,31)(H2,20,21,22)/b4-2+/t12-,15-,16-,19-/m1/s1","","2015-06-02","2016-05-06","5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine","2016-05-11"],["PUZ","8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE","C19 H20 F N5 O2","Fc1nc(c2nc(n(c2n1)CCCC#C)Cc3cc(OC)ccc3OC)N;COc1ccc(OC)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c1;COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC","InChI=1S/C19H20FN5O2/c1-4-5-6-9-25-15(22-16-17(21)23-19(20)24-18(16)25)11-12-10-13(26-2)7-8-14(12)27-3/h1,7-8,10H,5-6,9,11H2,2-3H3,(H2,21,23,24)","","2004-03-02","2011-06-04","8-(2,5-dimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine",""],["4UW","5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine","C20 H22 N5 O10 P","n2c(c1ncn(c1nc2)C4OC(COP(=O)(OC([C@H]=CC3=CCC(=O)C(OC)=C3)=O)O)C(C4O)O)N;COC1=CC(=CCC1=O)C=CC(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;COC1=CC(=CCC1=O)C=CC(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C20H22N5O10P/c1-32-12-6-10(2-4-11(12)26)3-5-14(27)35-36(30,31)33-7-13-16(28)17(29)20(34-13)25-9-24-15-18(21)22-8-23-19(15)25/h2-3,5-6,8-9,13,16-17,20,28-29H,4,7H2,1H3,(H,30,31)(H2,21,22,23)/b5-3+/t13-,16-,17-,20-/m1/s1","","2015-06-02","2016-05-06","5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine","2016-05-11"],["PV0","2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol","C14 H13 N O6 S","O=S(=O)(c1ccc(O)cc1O)N3Cc2cc(O)cc(O)c2C3;Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3cc(O)cc(O)c3C2;c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O","InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2","","2013-09-16","2013-12-27","2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol","2014-01-01"],["PV1","(5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone","C15 H12 Br N O3","Brc1cc(c(O)cc1O)C(=O)N3Cc2ccccc2C3;Oc1cc(O)c(cc1Br)C(=O)N2Cc3ccccc3C2;c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br","InChI=1S/C15H12BrNO3/c16-12-5-11(13(18)6-14(12)19)15(20)17-7-9-3-1-2-4-10(9)8-17/h1-6,18-19H,7-8H2","","2013-09-13","2013-12-27","(5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone","2014-01-01"],["4UX","(3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C28 H40 N4 O7 S","Nc1ccc(cc1)S(=O)(N(CC(C(Cc2ccccc2)NC(=O)OC4C3C(COC3OC4)NC)O)CC(C)C)=O;CN[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(N)cc4)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)NC)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C28H40N4O7S/c1-18(2)14-32(40(35,36)21-11-9-20(29)10-12-21)15-24(33)22(13-19-7-5-4-6-8-19)31-28(34)39-25-17-38-27-26(25)23(30-3)16-37-27/h4-12,18,22-27,30,33H,13-17,29H2,1-3H3,(H,31,34)/t22-,23-,24+,25-,26-,27+/m0/s1","","2015-06-02","2015-09-04","(3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2015-09-09"],["PV2","4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol","C14 H13 N O4 S","O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3;Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccccc3C2;c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O","InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2","","2013-09-13","2013-12-27","4-(1,3-dihydro-2H-isoindol-2-ylsulfonyl)benzene-1,3-diol","2014-01-01"],["4UY","(3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C29 H41 N3 O8 S","c1(ccc(cc1)S(=O)(N(CC(C)C)CC(O)C(NC(OC2COC3OCC(C23)NC)=O)Cc4ccccc4)=O)OC;CN[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C29H41N3O8S/c1-19(2)15-32(41(35,36)22-12-10-21(37-4)11-13-22)16-25(33)23(14-20-8-6-5-7-9-20)31-29(34)40-26-18-39-28-27(26)24(30-3)17-38-28/h5-13,19,23-28,30,33H,14-18H2,1-4H3,(H,31,34)/t23-,24-,25+,26-,27-,28+/m0/s1","","2015-06-02","2015-09-04","(3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2015-09-09"],["PV3","1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine","C20 H19 Cl N2 O","Clc1cccc(c1)COc1ccccc1CNCc1ccncc1;Clc1cccc(COc2ccccc2CNCc3ccncc3)c1;c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl","InChI=1S/C20H19ClN2O/c21-19-6-3-4-17(12-19)15-24-20-7-2-1-5-18(20)14-23-13-16-8-10-22-11-9-16/h1-12,23H,13-15H2","","2022-05-31","2022-09-09","1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine","2022-09-14"],["4UZ","2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose","C14 H19 N O7","C2(O)C(NC(OCc1ccccc1)=O)C(OC(C2O)CO)O;OC[CH]1O[CH](O)[CH](NC(=O)OCc2ccccc2)[CH](O)[CH]1O;c1ccc(cc1)COC(=O)NC2C(C(C(OC2O)CO)O)O","InChI=1S/C14H19NO7/c16-6-9-11(17)12(18)10(13(19)22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9-,10-,11-,12-,13-/m1/s1","N-[(benzyloxy)carbonyl]-beta-D-glucosamine; 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucose;\n2-{[(benzyloxy)carbonyl]amino}-2-deoxy-D-glucose; 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-glucose","2015-06-02","2020-07-17","2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose","2015-06-17"],["PV4","2-phenoxy-5-propyl-phenol","C15 H16 O2","O(c1ccccc1)c2ccc(cc2O)CCC;CCCc1ccc(Oc2ccccc2)c(O)c1;CCCc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3","","2013-05-15","2014-09-05","2-phenoxy-5-propylphenol","2013-06-05"],["4V0","3-(3H-azepin-5-yl)-L-alanine","C9 H12 N2 O2","NC(C(=O)O)CC1=CCC=NC=C1;N[CH](CC1=CCC=NC=C1)C(O)=O;C1C=C(C=CN=C1)CC(C(=O)O)N","InChI=1S/C9H12N2O2/c10-8(9(12)13)6-7-2-1-4-11-5-3-7/h2-5,8H,1,6,10H2,(H,12,13)/t8-/m0/s1","","2015-06-03","2024-09-27","3-(3H-azepin-5-yl)-L-alanine","2016-07-13"],["PV5","5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile","C21 H16 F N7 O","Cc1ncccc1c2cnc(NCc3c(F)cc(C#N)c4OCCc34)n5cnnc25;Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F","InChI=1S/C21H16FN7O/c1-12-14(3-2-5-24-12)17-10-26-21(29-11-27-28-20(17)29)25-9-16-15-4-6-30-19(15)13(8-23)7-18(16)22/h2-3,5,7,10-11H,4,6,9H2,1H3,(H,25,26)","","2020-04-28","2021-07-07","5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile","2021-05-12"],["4V1","2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one","C18 H19 N3 O2 S","N=1c3c(C(NC=1c2cc(C)c(O)c(C)c2)=O)c4c(s3)CN(CC4)C;CN1CCc2c(C1)sc3N=C(NC(=O)c23)c4cc(C)c(O)c(C)c4;Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2","InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)","","2015-06-04","2016-06-17","2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one","2016-06-22"],["PV6","2-sulfanylbenzamide","C7 H7 N O S","O=C(N)c1ccccc1S;NC(=O)c1ccccc1S;c1ccc(c(c1)C(=O)N)S","InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)","","2023-05-05","2025-07-16","2-sulfanylbenzamide","2023-06-14"],["4V2","3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL","C8 H6 N2 O2 S","Sc1nnc(o1)c2cc(O)ccc2;Oc1cccc(c1)c2oc(S)nn2;c1cc(cc(c1)O)c2nnc(o2)S","InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)","","2011-12-10","2014-09-05","3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol","2012-09-21"],["PV7","4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","C23 H23 N3 O5 S","c1c3c(cc(OC)c1Oc2ccc(C(O)=O)cc2)CCNC3(C)CC(Nc4nccs4)=O;COc1cc2CCN[C](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(cc4)C(O)=O;CC1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4","InChI=1S/C23H23N3O5S/c1-23(13-20(27)26-22-24-9-10-32-22)17-12-19(18(30-2)11-15(17)7-8-25-23)31-16-5-3-14(4-6-16)21(28)29/h3-6,9-12,25H,7-8,13H2,1-2H3,(H,28,29)(H,24,26,27)/t23-/m1/s1","","2019-08-26","2019-11-01","4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","2019-11-06"],["4V3","2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose","C16 H19 N O9 S","C(O)C1OC(C(C(C1O)O)NC(=O)OCC3=Cc2c(cccc2)S3(=O)=O)O;OC[CH]1O[CH](O)[CH](NC(=O)OCC2=Cc3ccccc3[S]2(=O)=O)[CH](O)[CH]1O;c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)NC3C(C(C(OC3O)CO)O)O","InChI=1S/C16H19NO9S/c18-6-10-13(19)14(20)12(15(21)26-10)17-16(22)25-7-9-5-8-3-1-2-4-11(8)27(9,23)24/h1-5,10,12-15,18-21H,6-7H2,(H,17,22)/t10-,12-,13-,14-,15-/m1/s1","","2015-06-04","2015-06-12","2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose","2015-06-17"],["PV8","4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol","C14 H13 N O5 S","O=S(=O)(c1ccc(O)cc1O)N3Cc2ccc(O)cc2C3;Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(O)cc3C2;c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O","InChI=1S/C14H13NO5S/c16-11-2-1-9-7-15(8-10(9)5-11)21(19,20)14-4-3-12(17)6-13(14)18/h1-6,16-18H,7-8H2","","2013-09-13","2013-12-27","4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol","2014-01-01"],["4V4","N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine","C18 H26 N4","CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC","InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)","","2015-03-23","2015-06-19","N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]phenyl]-N,N'-dimethyl-ethane-1,2-diamine","2015-06-24"],["4V5","2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose","C15 H21 N O7","c2cc(CCC(NC1C(C(C(OC1O)CO)O)O)=O)ccc2O;OC[CH]1O[CH](O)[CH](NC(=O)CCc2ccc(O)cc2)[CH](O)[CH]1O;c1cc(ccc1CCC(=O)NC2C(C(C(OC2O)CO)O)O)O","InChI=1S/C15H21NO7/c17-7-10-13(20)14(21)12(15(22)23-10)16-11(19)6-3-8-1-4-9(18)5-2-8/h1-2,4-5,10,12-15,17-18,20-22H,3,6-7H2,(H,16,19)/t10-,12-,13-,14-,15+/m1/s1","N-[3-(4-hydroxyphenyl)propanoyl]-alpha-D-glucosamine; 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucose;\n2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-D-glucose; 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-glucose","2015-06-04","2020-07-17","2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose","2015-06-17"],["PV9","Pitavastatin","C25 H24 F N O4","O=C(O)CC(O)CC(O)/C=C/c1c(c2ccccc2nc1C1CC1)c1ccc(F)cc1;O[CH](C[CH](O)C=Cc1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(O)=O;c1ccc2c(c1)c(c(c(n2)C3CC3)C=CC(CC(CC(=O)O)O)O)c4ccc(cc4)F","InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1","(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid","2022-04-27","2022-05-13","(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid","2022-05-18"],["PVA","1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID","C4 H12 N O3 P","O=P(O)(O)C(N)C(C)C;CC(C)[CH](N)[P](O)(O)=O;CC(C)C(N)P(=O)(O)O","InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1","","1999-07-08","2024-09-27","[(1R)-1-amino-2-methylpropyl]phosphonic acid",""],["4V6","(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","C10 H13 Cl N2 O2 S","c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O;C[CH]1N(C)c2ccc(Cl)cc2[S](=O)(=O)N1C;CC1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C","InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1","BPAM-321","2015-06-04","2020-06-17","(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","2016-02-17"],["PVB","PURVALANOL B","C20 H25 Cl N6 O3","O=C(O)c1ccc(cc1Cl)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO;CC(C)[CH](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c3ncn(C(C)C)c3n1;CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O","InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1","2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID","1999-07-08","2021-03-01","2-chloro-4-{[2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-(1-methylethyl)-9H-purin-6-yl]amino}benzoic acid",""],["4V7","N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide","C23 H27 F2 N7 O2","n1c2c(cc(F)c1)c(c(n2)CO)c3nc(c(F)cn3)NC4CCCC(C4)NC(N5CCCC5)=O;OCc1[nH]c2ncc(F)cc2c1c3ncc(F)c(N[CH]4CCC[CH](C4)NC(=O)N5CCCC5)n3;c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)NC4CCCC(C4)NC(=O)N5CCCC5)F)F","InChI=1S/C23H27F2N7O2/c24-13-8-16-19(18(12-33)30-20(16)26-10-13)22-27-11-17(25)21(31-22)28-14-4-3-5-15(9-14)29-23(34)32-6-1-2-7-32/h8,10-11,14-15,33H,1-7,9,12H2,(H,26,30)(H,29,34)(H,27,28,31)/t14-,15+/m0/s1","","2015-06-04","2016-06-03","N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide","2016-06-08"],["4V8","1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one","C23 H21 N5 O","c5(c1ccncc1)c4CN(C=2C=CN(C(C=2)=O)Cc3ccccc3)CCc4nn5;O=C1C=C(C=CN1Cc2ccccc2)N3CCc4n[nH]c(c5ccncc5)c4C3;c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3","InChI=1S/C23H21N5O/c29-22-14-19(8-12-28(22)15-17-4-2-1-3-5-17)27-13-9-21-20(16-27)23(26-25-21)18-6-10-24-11-7-18/h1-8,10-12,14H,9,13,15-16H2,(H,25,26)","","2015-06-04","2015-07-10","1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one","2015-07-15"],["PVC","(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID","C22 H40 O8","O=C(OCC(O)C(O)C(/O)=C(/O)C(=O)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](O)[CH](O)C(O)=C(O)C(O)=O;CCCCCCCCCCCCCCCC(=O)OCC(C(C(=C(C(=O)O)O)O)O)O","InChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)19(25)20(26)21(27)22(28)29/h17,19,23,25-27H,2-16H2,1H3,(H,28,29)/b21-20-/t17-,19+/m0/s1","","2004-07-21","2011-06-04","(2Z)-6-O-hexadecanoyl-L-threo-hex-2-enonic acid",""],["PVE","(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM","C17 H18 N3 O7","O=C(O)CCC(=O)Nc1cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3;OC(=O)CCC(=O)Nc1cc2cc(O)c(O)cc2[n+]3[CH](CCNc13)C(O)=O;c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCCC3C(=O)O)O)O","InChI=1S/C17H17N3O7/c21-12-6-8-5-9(19-14(23)1-2-15(24)25)16-18-4-3-10(17(26)27)20(16)11(8)7-13(12)22/h5-7,10H,1-4H2,(H5,18,19,21,22,23,24,25,26,27)/p+1/t10-/m0/s1","","2008-10-14","2024-09-27","(1S)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium",""],["4V9","3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine","C17 H15 F N4","c1(ccccn1)N4Cc3c(c2ccc(F)cc2)nnc3CC4;Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4;c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2","InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21)","","2015-06-04","2015-07-10","3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine","2015-07-15"],["PVF","1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine","C14 H14 Cl N O","Clc1ccc(COc2cc(CN)ccc2)cc1;NCc1cccc(OCc2ccc(Cl)cc2)c1;c1cc(cc(c1)OCc2ccc(cc2)Cl)CN","InChI=1S/C14H14ClNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,9-10,16H2","","2022-05-31","2022-09-09","1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine","2022-09-14"],["4VA","(2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium","C19 H23 Cl F N2 O2","Clc2ccc(c(F)c2Oc1ccccc1)C([NH2+]C(C)CC(=O)N)CC;CC[CH]([NH2+][CH](C)CC(N)=O)c1ccc(Cl)c(Oc2ccccc2)c1F;CCC(c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+]C(C)CC(=O)N","InChI=1S/C19H22ClFN2O2/c1-3-16(23-12(2)11-17(22)24)14-9-10-15(20)19(18(14)21)25-13-7-5-4-6-8-13/h4-10,12,16,23H,3,11H2,1-2H3,(H2,22,24)/p+1/t12-,16+/m0/s1","","2012-08-16","2014-09-05","(2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium","2012-09-28"],["PVG","Phycoviolobilin, green light-absorbing form","C33 H40 N4 O6","CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,15,27,35H,7-12,14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,28-15-/t27-/m0/s1","","2012-11-12","2024-09-27","3-[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2013-01-25"],["4VB","4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one","C16 H15 N5 O","c4(c1ccncc1)c3CN(C=2C=CNC(C=2)=O)CCc3nn4;O=C1NC=CC(=C1)N2CCc3n[nH]c(c4ccncc4)c3C2;c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4","InChI=1S/C16H15N5O/c22-15-9-12(3-7-18-15)21-8-4-14-13(10-21)16(20-19-14)11-1-5-17-6-2-11/h1-3,5-7,9H,4,8,10H2,(H,18,22)(H,19,20)","","2015-06-04","2015-07-10","4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one","2015-07-15"],["PVH","HISTIDINE-METHYL-ESTER","C7 H12 N3 O2","O=C(OC)C(N)Cc1cnc[nH+]1;COC(=O)[CH](N)Cc1c[nH]c[nH+]1;COC(=O)C(Cc1c[nH]c[nH+]1)N","InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1","","2001-04-02","2024-09-27","methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate",""],["4VC","1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea","C13 H12 Cl N3 O","c1(Cl)ccccc1NC(NCc2cnccc2)=O;Clc1ccccc1NC(=O)NCc2cccnc2;c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl","InChI=1S/C13H12ClN3O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H2,16,17,18)","","2015-06-05","2015-07-31","1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea","2015-08-05"],["PVI","(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid","C7 H11 N O4","N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(C=C1C(=O)O)N)O)O","InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1","(4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid","2022-10-04","2024-09-27","(4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid","2023-02-15"],["4VD","N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide","C23 H20 F N5 O2","Cc2ccc(CNC(=O)Nc1cccc(c1)F)cc2NC(=O)c4n3c(cccc3)nc4;Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c3cnc4ccccn34;Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F","InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)","","2015-06-05","2015-08-07","N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide","2015-08-12"],["PVJ","2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","C28 H30 F N3 O6 S","N1CCc4c(C1(C)CC(Nc2nccs2)=O)cc(c(OCC3CCCCO3)c4)Oc5cc(c(cc5)C(O)=O)F;C[C]1(CC(=O)Nc2sccn2)NCCc3cc(OC[CH]4CCCCO4)c(Oc5ccc(C(O)=O)c(F)c5)cc13;CC1(c2cc(c(cc2CCN1)OCC3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5","InChI=1S/C28H30FN3O6S/c1-28(15-25(33)32-27-30-9-11-39-27)21-14-24(38-18-5-6-20(26(34)35)22(29)13-18)23(12-17(21)7-8-31-28)37-16-19-4-2-3-10-36-19/h5-6,9,11-14,19,31H,2-4,7-8,10,15-16H2,1H3,(H,34,35)(H,30,32,33)/t19-,28+/m0/s1","","2019-08-26","2019-11-01","2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","2019-11-06"],["4VE","N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide","C24 H20 F N5 O2","CC(Nc1oc2c(n1)cc(cc2)F)c5ccc(C)c(NC(=O)c4n3c(cccc3)nc4)c5;C[CH](Nc1oc2ccc(F)cc2n1)c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3;Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)C(C)Nc4nc5cc(ccc5o4)F","InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1","","2015-06-05","2015-07-31","N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide","2015-08-05"],["PVK","(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione","C9 H11 N3 O5","N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O;C1C2=C(CO1)N(C(=O)NC2=O)CC(C(=O)O)N","InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid","2020-04-28","2020-06-17","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid","2020-06-03"],["4VF","2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one","C24 H26 Cl N5 O3","c32n(CCN(C(CO)c1cc(ccc1)Cl)C2=O)cc(c3)c5nc(NC4CCOCC4)ncc5;OC[CH](N1CCn2cc(cc2C1=O)c3ccnc(NC4CCOCC4)n3)c5cccc(Cl)c5;c1cc(cc(c1)Cl)C(CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5","InChI=1S/C24H26ClN5O3/c25-18-3-1-2-16(12-18)22(15-31)30-9-8-29-14-17(13-21(29)23(30)32)20-4-7-26-24(28-20)27-19-5-10-33-11-6-19/h1-4,7,12-14,19,22,31H,5-6,8-11,15H2,(H,26,27,28)/t22-/m1/s1","","2015-06-05","2015-09-04","2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one","2015-09-09"],["PVL","PYRUVOYL GROUP","C3 H4 O2","O=CC(=O)C;CC(=O)C=O;CC(=O)C=O","InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3","","1999-07-08","2009-01-07","2-oxopropanal",""],["4VG","2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one","C25 H28 Cl N5 O3","c15n(CCCN(C1=O)C(CO)c2cc(ccc2)Cl)cc(c4nc(NC3CCOCC3)ncc4)c5;OC[CH](N1CCCn2cc(cc2C1=O)c3ccnc(NC4CCOCC4)n3)c5cccc(Cl)c5;c1cc(cc(c1)Cl)C(CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5","InChI=1S/C25H28ClN5O3/c26-19-4-1-3-17(13-19)23(16-32)31-10-2-9-30-15-18(14-22(30)24(31)33)21-5-8-27-25(29-21)28-20-6-11-34-12-7-20/h1,3-5,8,13-15,20,23,32H,2,6-7,9-12,16H2,(H,27,28,29)/t23-/m1/s1","","2015-06-05","2015-09-04","2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one","2015-09-09"],["4VH","N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide","C30 H38 N6 O10 S","OCCNC(=O)[CH](Cc1cn(CCNC(=O)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)nn1)NC(=O)COc4ccccc4;c1ccc(cc1)OCC(=O)NC(Cc2cn(nn2)CCNC(=O)c3ccc(cc3)SC4C(C(C(C(O4)CO)O)O)O)C(=O)NCCO","InChI=1S/C30H38N6O10S/c37-13-11-32-29(44)22(33-24(39)17-45-20-4-2-1-3-5-20)14-19-15-36(35-34-19)12-10-31-28(43)18-6-8-21(9-7-18)47-30-27(42)26(41)25(40)23(16-38)46-30/h1-9,15,22-23,25-27,30,37-38,40-42H,10-14,16-17H2,(H,31,43)(H,32,44)(H,33,39)/t22-,23+,25-,26-,27+,30-/m0/s1","","2021-08-06","2022-02-15","~{N}-[2-[4-[(2~{S})-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide","2022-02-16"],["PVM","2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","C38 H35 F N8 O7 S","N7C(C)(CC(Nc1nccs1)=O)c6cc(Oc2cc(c(cc2)C(=O)O)F)c(OCCn5cc(C3=NN(C(C(=C3)C)=O)c4ccc(cc4)OC)nn5)cc6CC7;COc1ccc(cc1)N2N=C(C=C(C)C2=O)c3cn(CCOc4cc5CCN[C](C)(CC(=O)Nc6sccn6)c5cc4Oc7ccc(C(O)=O)c(F)c7)nn3;CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)C(NCC5)(C)CC(=O)Nc7nccs7","InChI=1S/C38H35FN8O7S/c1-22-16-30(44-47(35(22)49)24-4-6-25(52-3)7-5-24)31-21-46(45-43-31)13-14-53-32-17-23-10-11-41-38(2,20-34(48)42-37-40-12-15-55-37)28(23)19-33(32)54-26-8-9-27(36(50)51)29(39)18-26/h4-9,12,15-19,21,41H,10-11,13-14,20H2,1-3H3,(H,50,51)(H,40,42,48)/t38-/m1/s1","","2019-08-26","2019-11-01","2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid","2019-11-06"],["PVN","PHYCOVIOLOBILIN","C33 H40 N4 O6","CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1","Phycoviolobilin, bound form","2006-11-02","2024-09-27","3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["4VI","(2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid","C6 H10 N4 O2","N=C(CC=CNC(=N)N)C(=O)O;NC(=N)NC=CCC(=N)C(O)=O;C(C=CNC(=N)N)C(=N)C(=O)O","InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4-","","2021-07-15","2021-10-01","(2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid","2021-10-06"],["PVO","2,2-bis(oxidanyl)propanoic acid","C3 H6 O4","CC(O)(O)C(O)=O;CC(C(=O)O)(O)O","InChI=1S/C3H6O4/c1-3(6,7)2(4)5/h6-7H,1H3,(H,4,5)","","2016-08-23","2024-09-27","2,2-bis(oxidanyl)propanoic acid","2017-09-13"],["4VJ","2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one","C25 H28 Cl N5 O3","O=C4N(CCCn3cc(c2nc(NC1CCC(C1)O)ncc2)cc34)C(CO)c5cc(ccc5)Cl;OC[CH](N1CCCn2cc(cc2C1=O)c3ccnc(N[CH]4CC[CH](O)C4)n3)c5cccc(Cl)c5;c1cc(cc(c1)Cl)C(CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCC(C5)O","InChI=1S/C25H28ClN5O3/c26-18-4-1-3-16(11-18)23(15-32)31-10-2-9-30-14-17(12-22(30)24(31)34)21-7-8-27-25(29-21)28-19-5-6-20(33)13-19/h1,3-4,7-8,11-12,14,19-20,23,32-33H,2,5-6,9-10,13,15H2,(H,27,28,29)/t19-,20+,23+/m0/s1","","2015-06-05","2015-09-04","2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one","2015-09-09"],["PVP","2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol","C16 H20 Cl N5 O","Clc2c(nc(nc2N1CCN(CCO)CC1)c3ncccc3)C;Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)c3ccccn3;Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl","InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3","","2013-01-10","2013-12-06","2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol","2013-12-11"],["4VK","N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide","C20 H19 N O3 S","c3cc(S(=O)(=O)NCc2ccc(c1cc(ccc1)CO)cc2)ccc3;OCc1cccc(c1)c2ccc(CN[S](=O)(=O)c3ccccc3)cc2;c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO","InChI=1S/C20H19NO3S/c22-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-25(23,24)20-7-2-1-3-8-20/h1-13,21-22H,14-15H2","","2015-06-05","2016-05-13","N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide","2016-05-18"],["4VL","1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid","C18 H19 F N2 O3","c3c(F)c(c2ccc(N1CCC(C(O)=O)CC1)nc2)cc(c3)CO;OCc1ccc(F)c(c1)c2ccc(nc2)N3CCC(CC3)C(O)=O;c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F","InChI=1S/C18H19FN2O3/c19-16-3-1-12(11-22)9-15(16)14-2-4-17(20-10-14)21-7-5-13(6-8-21)18(23)24/h1-4,9-10,13,22H,5-8,11H2,(H,23,24)","","2015-06-05","2016-05-13","1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid","2016-05-18"],["PVQ","(S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione","C9 H12 N4 O4","N[CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O;C1C2=C(CN1)N(C(=O)NC2=O)CC(C(=O)O)N","InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid","2020-04-28","2021-03-13","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid","2020-06-03"],["PVR","2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide","C16 H22 N4 O2","O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1;CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3;CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3","InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22)","","2023-08-18","2023-11-03","2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide","2023-11-08"],["4VM","1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide","C28 H27 F N4 O2","c1ccnc5c1cc(CNC(C2CCN(CC2)c4ccc(c3c(F)ccc(c3)CO)cn4)=O)cc5;OCc1ccc(F)c(c1)c2ccc(nc2)N3CCC(CC3)C(=O)NCc4ccc5ncccc5c4;c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO","InChI=1S/C28H27FN4O2/c29-25-6-3-20(18-34)15-24(25)23-5-8-27(31-17-23)33-12-9-21(10-13-33)28(35)32-16-19-4-7-26-22(14-19)2-1-11-30-26/h1-8,11,14-15,17,21,34H,9-10,12-13,16,18H2,(H,32,35)","","2015-06-05","2016-05-13","1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide","2016-05-18"],["PVS","(ethenylsulfonyl)benzene","C8 H8 O2 S","ethenyl phenyl sulfone;C=C[S](=O)(=O)c1ccccc1;C=CS(=O)(=O)c1ccccc1","InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2","Phenyl Vinyl Sulphone","2008-07-15","2024-09-27","(ethenylsulfonyl)benzene",""],["4VN","1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid","C18 H19 Cl N2 O3","c3c(Cl)c(c1cnc(cc1)N2CCC(CC2)C(O)=O)cc(c3)CO;OCc1ccc(Cl)c(c1)c2ccc(nc2)N3CCC(CC3)C(O)=O;c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl","InChI=1S/C18H19ClN2O3/c19-16-3-1-12(11-22)9-15(16)14-2-4-17(20-10-14)21-7-5-13(6-8-21)18(23)24/h1-4,9-10,13,22H,5-8,11H2,(H,23,24)","","2015-06-05","2016-05-13","1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid","2016-05-18"],["PVT","5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one","C19 H15 F3 N6 O","FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4cccnc4;c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F","InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-11-2-1-5-23-8-11)26-13-3-4-15-12(6-13)7-16(29)27-15/h1-6,8,10H,7,9H2,(H,27,29)(H2,24,25,26,28)","","2020-04-29","2021-02-05","5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one","2021-02-10"],["4VO","(2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-m\nethanonaphtho[2,1-g]indol-10-ol","C28 H32 N2 O2","C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC;CO[C]12C=C[C]34C[C]1(C)[CH](N[CH]2[C]35CCN(C)[CH]4Cc6ccc(O)cc56)c7ccccc7;CC12CC34C=CC1(C(C35CCN(C4Cc6c5cc(cc6)O)C)NC2c7ccccc7)OC","InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23+,24+,25+,26-,27+,28+/m1/s1","BU72","2015-06-06","2020-06-17","(2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol","2015-08-05"],["PVU","1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine","C20 H19 Cl N2 O","Clc1cccc(c1)COc1ccccc1CNCc1cccnc1;Clc1cccc(COc2ccccc2CNCc3cccnc3)c1;c1ccc(c(c1)CNCc2cccnc2)OCc3cccc(c3)Cl","InChI=1S/C20H19ClN2O/c21-19-8-3-5-16(11-19)15-24-20-9-2-1-7-18(20)14-23-13-17-6-4-10-22-12-17/h1-12,23H,13-15H2","","2022-05-31","2022-09-09","1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine","2022-09-14"],["4VP","4-ethenylphenol","C8 H8 O","Oc1ccc(C=C)cc1;Oc1ccc(C=C)cc1;C=Cc1ccc(cc1)O","InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2","","2015-01-29","2015-05-01","4-ethenylphenol","2015-05-06"],["PVV","2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide","C17 H21 N3 O3 S","c32c(C(CC(Nc1nccs1)=O)(C)NCC2)cc(c(c3)OC)OC;COc1cc2CCN[C](C)(CC(=O)Nc3sccn3)c2cc1OC;CC1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3","InChI=1S/C17H21N3O3S/c1-17(10-15(21)20-16-18-6-7-24-16)12-9-14(23-3)13(22-2)8-11(12)4-5-19-17/h6-9,19H,4-5,10H2,1-3H3,(H,18,20,21)/t17-/m1/s1","","2019-08-26","2019-11-01","2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide","2019-11-06"],["4VQ","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid","C21 H21 N3 O5","O=C(O)c1ccc(cc1C)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3;COc1cc(cc(OC)c1OC)c2cnc(N)c(n2)c3ccc(c(C)c3)C(O)=O;Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N","InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26)","","2010-07-07","2011-06-04","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid",""],["PVW","3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE","C8 H10 N4 O2 S","O=C2c1c(ncn1)N(C(=S)N2)CCOC;COCCN1C(=S)NC(=O)c2[nH]cnc12;COCCN1c2c([nH]cn2)C(=O)NC1=S","InChI=1S/C8H10N4O2S/c1-14-3-2-12-6-5(9-4-10-6)7(13)11-8(12)15/h4H,2-3H2,1H3,(H,9,10)(H,11,13,15)","","2011-06-21","2014-04-29","3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one",""],["4VR","2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C15 H16 Br N5 O","CCCC3=CC(=O)n2nc(NCc1ccc(cc1)Br)nc2N3;CCCC1=CC(=O)n2nc(NCc3ccc(Br)cc3)nc2N1;CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1","InChI=1S/C15H16BrN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20)","","2015-06-08","2015-06-26","2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2015-07-01"],["PVX","N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","C27 H26 N5 O15 P","O=P(O)(O)OCC7OC(NC=1N=C(N)NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3c(OC(=O)C=2C(=O)C=CC=23)c4C6C5O)CC7O;COc1cc2O[CH]3O[CH]([CH](O)[CH]3c2c4OC(=O)C5=C(C=CC5=O)c14)N(C=O)C6=C(N[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)N=C(N)NC6=O;COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)C5C(C(OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O7)COP(=O)(O)O)O)O","InChI=1S/C27H26N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h2-3,5,7,10,13-14,18,20,24,26,35-36H,4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1","","2011-01-18","2011-08-05","N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",""],["8UW","N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide","C25 H34 N2 O2","O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3;c1ccc(cc1)C(CC(=O)NCC(CNCC2CCCCC2)O)c3ccccc3","InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m1/s1","N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide","2021-11-01","2022-11-11","~{N}-[(2~{R})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide","2022-11-16"],["8UX","(2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid","C13 H20 N4 O6","C[CH](N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O)C(O)=O;CC(C(=O)O)NC(CCNC(Cc1c[nH]cn1)C(=O)O)C(=O)O","InChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/t7-,9-,10+/m0/s1","staphylopine","2017-09-28","2021-03-01","(2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid","2018-03-28"],["PVY","9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium","C35 H44 N3 O6","CCCCCCOCCOCCNC(c1cc(c(cc1)C(O)=O)C3=C2C(=CC(/C=C2)=[N+](C)C)Oc4cc(ccc34)N(C)C)=O;CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3C=CC(C=C3Oc4cc(ccc24)N(C)C)=[N+](C)C;CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O","InChI=1S/C35H43N3O6/c1-6-7-8-9-17-42-19-20-43-18-16-36-34(39)24-10-13-27(35(40)41)30(21-24)33-28-14-11-25(37(2)3)22-31(28)44-32-23-26(38(4)5)12-15-29(32)33/h10-15,21-23H,6-9,16-20H2,1-5H3,(H-,36,39,40,41)/p+1","","2019-08-26","2024-09-27","9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium","2020-09-30"],["PVZ","[1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)","C14 H29 N2 O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)C[n+]1ccn(c1)CCCCCCCCC;CCCCCCCCCn1cc[n+](CC(O)([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C14H28N2O7P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(17,24(18,19)20)25(21,22)23/h10-11,13,17H,2-9,12H2,1H3,(H3-,18,19,20,21,22,23)/p+1","","2015-01-27","2015-10-23","3-(2-hydroxy-2,2-diphosphonoethyl)-1-nonyl-1H-imidazol-3-ium","2015-10-28"],["8UY","4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile","C13 H8 N4","N#Cc3ccc(c2cccc1ncnn12)cc3;N#Cc1ccc(cc1)c2cccc3ncnn23;c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N","InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H","","2017-03-06","2017-06-16","4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile","2017-06-21"],["PW0","(~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid","C13 H17 N2 O9 P","Cc1ncc(CO[P](O)(O)=O)c(CN=C(CCC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CCC(=O)O)C(=O)O)O","InChI=1S/C13H17N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)","","2022-10-05","2022-11-11","2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]pentanedioic acid","2022-11-16"],["8UZ","TC007","C18 H37 N5 O10","NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(C(O3)CO)O)N)O)O)N","InChI=1S/C18H37N5O10/c19-2-6-12(27)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)8(22)11(26)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1","","2017-03-09","2017-12-08","(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(aminomethyl)-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]oxy-oxane-3,4-diol","2017-12-13"],["PW1","[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium","C13 H12 F2 N O","Fc2c(ccc(F)c2Oc1ccccc1)C[NH3+];[NH3+]Cc1ccc(F)c(Oc2ccccc2)c1F;c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F","InChI=1S/C13H11F2NO/c14-11-7-6-9(8-16)12(15)13(11)17-10-4-2-1-3-5-10/h1-7H,8,16H2/p+1","","2012-08-16","2014-09-05","(2,4-difluoro-3-phenoxyphenyl)methanaminium","2012-09-28"],["8V0","(2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid","C9 H14 N4 O3","NCCC(=O)N[CH](Cc1c[nH]cn1)C(O)=O;c1c(nc[nH]1)CC(C(=O)O)NC(=O)CCN","InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1","","2017-09-28","2018-07-27","(2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid","2018-08-01"],["PW2","2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","C19 H16 N2 O5","COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O;COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O","InChI=1S/C19H16N2O5/c1-26-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(22)18(20-9-14)19(25)21-10-17(23)24/h2-9,22H,10H2,1H3,(H,21,25)(H,23,24)","","2020-04-29","2020-05-15","2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","2020-05-20"],["8V1","(2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE","C24 H25 N5 O2","O=C(Nc4ccc(Oc2ccc3n(cc(c1cn(nc1)C)c3c2)C)cc4)C5NCCC5;Cn1cc(cn1)c2cn(C)c3ccc(Oc4ccc(NC(=O)[CH]5CCCN5)cc4)cc23;Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)C4CCCN4)c5cnn(c5)C","InChI=1S/C24H25N5O2/c1-28-15-21(16-13-26-29(2)14-16)20-12-19(9-10-23(20)28)31-18-7-5-17(6-8-18)27-24(30)22-4-3-11-25-22/h5-10,12-15,22,25H,3-4,11H2,1-2H3,(H,27,30)/t22-/m0/s1","","2015-02-27","2015-04-17","N-(4-{[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)-L-prolinamide","2015-04-22"],["PW3","4-acetyl-piperazin-2-one","C6 H10 N2 O2","CC(=O)N1CCNC(=O)C1;CC(=O)N1CCNC(=O)C1","InChI=1S/C6H10N2O2/c1-5(9)8-3-2-7-6(10)4-8/h2-4H2,1H3,(H,7,10)","","2015-03-10","2015-03-13","4-ethanoylpiperazin-2-one","2015-03-18"],["8V2","methyl\n(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid\nene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,\n7}]tridec-8-ene-13-carboxylate","C36 H42 Cl N5 O7","COC(=O)[CH]1CC[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)OC)C=C6","InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-3-4-7-26(23)37)31(44)40-18-5-16-36(40)17-14-25-10-12-28(42(25)35(36)48)32(45)39-19-15-22-8-9-24-11-13-29(34(47)49-2)41(24)33(46)30(22)39/h3-4,6-9,14,17,22,24-25,27-30H,5,10-13,15-16,18-20H2,1-2H3,(H,38,43)/t22-,24-,25-,27-,28-,29+,30-,36+/m0/s1","Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe","2017-03-10","2020-06-17","methyl (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate","2018-03-21"],["PW5","4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid","C11 H13 Br N2 O3","Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br;Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O","InChI=1S/C11H13BrN2O3/c1-6-5-8(13-7(2)11(6)12)14-9(15)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)","","2020-04-29","2020-12-25","4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid","2020-12-30"],["8V3","(2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid","C10 H16 N4 O3","Cn1cncc1C[CH](NC(=O)CCN)C(O)=O;Cn1cncc1CC(C(=O)O)NC(=O)CCN","InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1","","2017-09-28","2018-07-27","(2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid","2018-08-01"],["PW6","(2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid","C27 H30 O3","CC(=O)C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(O)=O;CC(=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(=O)O)C(=O)C","InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3+,6-4+,9-7-,10-8+,13-11+,14-12-,17-15-,18-16+,21-19+,24-22+,25-23+","Dehydro laetiporic acid","2023-03-07","2024-08-09","(5~{E},7~{Z},9~{E},11~{E},13~{E},15~{Z},17~{E},19~{Z},21~{E},23~{E})-24-methyl-25-oxidanylidene-hexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid","2024-08-14"],["8V4","N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide","C10 H11 N3 O2","n1(CC)cc(cn1)NC(=O)c2ccoc2;CCn1cc(NC(=O)c2cocc2)cn1;CCn1cc(cn1)NC(=O)c2ccoc2","InChI=1S/C10H11N3O2/c1-2-13-6-9(5-11-13)12-10(14)8-3-4-15-7-8/h3-7H,2H2,1H3,(H,12,14)","","2017-03-06","2017-03-24","N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide","2017-03-29"],["8V5","5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide","C12 H13 N3 O5 S2","N[S](=O)(=O)c1sc(cc1)c2oc(nc2)C(=O)N3CCOCC3;c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N","InChI=1S/C12H13N3O5S2/c13-22(17,18)10-2-1-9(21-10)8-7-14-11(20-8)12(16)15-3-5-19-6-4-15/h1-2,7H,3-6H2,(H2,13,17,18)","","2017-03-10","2017-12-01","5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide","2017-12-06"],["PW7","4-(trifluoromethyl)pyrimidin-2-amine","C5 H4 F3 N3","Nc1nc(ccn1)C(F)(F)F;Nc1nccc(n1)C(F)(F)F;c1cnc(nc1C(F)(F)F)N","InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)","","2019-08-27","2019-12-20","4-(trifluoromethyl)pyrimidin-2-amine","2019-12-25"],["PW8","4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid","C13 H11 Br N2 O3","OC(=O)CCC(=O)Nc1cc2c(Br)cccc2cn1;c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O","InChI=1S/C13H11BrN2O3/c14-10-3-1-2-8-7-15-11(6-9(8)10)16-12(17)4-5-13(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,15,16,17)","","2020-04-29","2020-12-25","4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid","2020-12-30"],["8V6","(2Z,4E)-3-methyl-5-[(1S,4S)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid","C25 H30 O4","Cc1ccc(cc1)C#CCO[CH]2CC(C)(C)[C](O)(C=CC(C)=CC(O)=O)C(=C2)C;Cc1ccc(cc1)C#CCOC2CC(C(C(=C2)C)(C=CC(=CC(=O)O)C)O)(C)C","InChI=1S/C25H30O4/c1-18-8-10-21(11-9-18)7-6-14-29-22-16-20(3)25(28,24(4,5)17-22)13-12-19(2)15-23(26)27/h8-13,15-16,22,28H,14,17H2,1-5H3,(H,26,27)/b13-12+,19-15-/t22-,25-/m1/s1","","2017-10-03","2018-04-13","(2~{Z},4~{E})-3-methyl-5-[(1~{S},4~{S})-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid","2018-04-18"],["PW9","Trilacunary Keggin","O34 P W9","[O-][W]123([O-])O[W]45([O-])([O-])O[W]67([O-])([O-])O[W]89([O-])([O-])O[W]%10%11([O-])([O-])O[W]%12([O-])([O-])(O1)O[W]%13%14([O-])(O2)O[W]%15([O-])(O4)(O6)O[W]([O-])(O%10)(O8)(O%13)[O++]%14%15[P-]([O+]35)([O+]%11%12)[O+]79;[O-][W]123(O[W]45([O+]1[P-]67[O+]8[W]9(O2)(O[W]81(O[W]28([O+]6[W](O2)(O4)(O[W]24(O5)([O+2]75[W](O3)(O9)(O2)(O[W]5(O1)(O8)(O4)[O-])[O-])[O-])([O-])[O-])([O-])[O-])([O-])[O-])([O-])[O-])([O-])[O-])[O-]","InChI=1S/O4P.30O.9W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+4;;;;;;;;;;;;;;;;15*-1;;;;;;;;;","","2021-06-14","2022-04-22","","2022-04-27"],["8V7","2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide","C14 H14 N6 O S","c3n(c(c2nc(C(=O)Nc1ncccc1)cs2)nn3)C(C)C;CC(C)n1cnnc1c2scc(n2)C(=O)Nc3ccccn3;CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3","InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21)","","2017-03-06","2017-03-24","2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide","2017-03-29"],["PWA","7-fluoroquinazolin-4(3H)-one","C8 H5 F N2 O","N1C(c2c(N=C1)cc(cc2)F)=O;Fc1ccc2C(=O)NC=Nc2c1;c1cc2c(cc1F)N=CNC2=O","InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)","","2019-08-27","2019-12-20","7-fluoroquinazolin-4(3H)-one","2019-12-25"],["8V8","4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide","C10 H10 N2 O3 S","Cc1oc(cn1)c2ccc(cc2)[S](N)(=O)=O;Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)","","2017-03-10","2017-12-01","4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide","2017-12-06"],["8V9","(4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide","C37 H44 N4 O7 S2","CSC[CH](NC(=O)Cc1ccc(O)cc1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)NC4c5ccccc5CC4O)C","InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-26-12-8-7-11-24(26)19-29(31)43)41(21-50-37)36(48)32(45)27(17-22-9-5-4-6-10-22)39-34(46)28(20-49-3)38-30(44)18-23-13-15-25(42)16-14-23/h4-16,27-29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t27-,28-,29+,31-,32-,33+/m0/s1","","2017-10-04","2018-07-06","(4~{R})-3-[(2~{S},3~{S})-3-[[(2~{R})-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide","2018-07-11"],["PWB","3',3'-c-[2'FdAMP-2'FdAM(PS)]","C20 H24 F2 N10 O9 P2 S","[NH3+]c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c([NH3+])ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)S)OC(C5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+]","InChI=1S/C20H22F2N10O9P2S/c21-9-13-8(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)2-37-43(35,44)41-14-7(1-36-42(33,34)40-13)38-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,44)(H2,23,25,27)(H2,24,26,28)/p+2/t7-,8-,9-,10-,13-,14-,19-,20-,43-/m1/s1","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3-oxidanyl-3,12-bis(oxidanylidene)-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine","2020-04-29","2021-05-07","[9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-azaniumylpurin-9-yl)-9,18-bis(fluoranyl)-3-oxidanyl-3,12-bis(oxidanylidene)-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-yl]azanium","2021-05-12"],["PWC","[(1~{S},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] 4-[2-(2-azanylhydrazinyl)ethyl]benzoate","C37 H44 Cl N5 O9","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCN=[N+]=[N-])cc3)[C]4(C)O[CH]4[CH](C)[CH]5C[C]1(O)NC(=O)O5;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)c5ccc(cc5)CCN=[N+]=[N-])C)C)OC)(NC(=O)O2)O","InChI=1S/C37H44ClN5O9/c1-21-8-7-9-29(49-6)37(47)20-28(50-35(46)41-37)22(2)33-36(3,52-33)30(51-34(45)25-12-10-23(11-13-25)14-15-40-42-39)19-31(44)43(4)26-17-24(16-21)18-27(48-5)32(26)38/h7-13,17-18,22,28-30,33,47H,14-16,19-20H2,1-6H3,(H,41,46)/b9-7+,21-8+/t22-,28+,29-,30+,33+,36+,37+/m1/s1","","2022-10-05","2023-08-18","[(1~{S},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] 4-[2-(2-azanylhydrazinyl)ethyl]benzoate","2023-08-23"],["8VB","2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid","C22 H16 I N O6 S","OC(=O)C(Cc1cccc(NC(=O)c2sc(cc2)C(=O)c3cccc(I)c3)c1)C(O)=O;c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O","InChI=1S/C22H16INO6S/c23-14-5-2-4-13(11-14)19(25)17-7-8-18(31-17)20(26)24-15-6-1-3-12(9-15)10-16(21(27)28)22(29)30/h1-9,11,16H,10H2,(H,24,26)(H,27,28)(H,29,30)","JES107; polotyrin","2017-03-10","2023-09-05","2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid","2018-02-21"],["PWD","5-fluoro-1H-pyrrolo[2,3-b]pyridine","C7 H5 F N2","n1c2c(cc1)cc(cn2)F;Fc1cnc2[nH]ccc2c1;c1c[nH]c2c1cc(cn2)F","InChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)","","2019-08-27","2019-12-20","5-fluoro-1H-pyrrolo[2,3-b]pyridine","2019-12-25"],["8VC","(4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide","C40 H53 N5 O6 S","CN(C)CCN(C)c1cc(C)c(OCC(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45)c(C)c1;Cc1cc(cc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC4c5ccccc5CC4O)(C)C)O)C)N(C)CCN(C)C","InChI=1S/C40H53N5O6S/c1-25-19-29(44(7)18-17-43(5)6)20-26(2)36(25)51-23-33(47)41-31(21-27-13-9-8-10-14-27)35(48)39(50)45-24-52-40(3,4)37(45)38(49)42-34-30-16-12-11-15-28(30)22-32(34)46/h8-16,19-20,31-32,34-35,37,46,48H,17-18,21-24H2,1-7H3,(H,41,47)(H,42,49)/t31-,32+,34-,35-,37+/m0/s1","","2017-10-04","2018-07-06","(4~{R})-3-[(2~{S},3~{S})-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide","2018-07-11"],["PWE","(2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate","C29 H56 O16 P2","C1(C(C(OP(O)(O)=O)C(O)C(C1O)O)O)OP(O)(=O)OCC(COC(CCC)=O)OC(CCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O","InChI=1S/C29H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)43-21(19-41-22(30)17-4-2)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h21,24-29,32-35H,3-20H2,1-2H3,(H,39,40)(H2,36,37,38)/t21-,24+,25+,26+,27-,28+,29+/m1/s1","","2020-04-09","2021-04-16","(2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate","2021-04-21"],["8VD","N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine","C10 H13 F3 N4","FC(F)(F)c1cc(ncn1)NC1CCNCC1;FC(F)(F)c1cc(NC2CCNCC2)ncn1;c1c(ncnc1NC2CCNCC2)C(F)(F)F","InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17)","","2021-10-01","2022-02-04","N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine","2022-02-09"],["PWF","2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","C18 H18 O4","O=C(OCCc1ccccc1)C=Cc2cc(OC)c(O)cc2;COc1cc(ccc1O)C=CC(=O)OCCc2ccccc2;COc1cc(ccc1O)C=CC(=O)OCCc2ccccc2","InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+","","2014-03-28","2014-11-21","2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","2014-11-26"],["8VE","(3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid","C8 H11 N3 O4","CN1N=C([CH]2[CH]1CN[CH]2C(O)=O)C(O)=O;CN1C2CNC(C2C(=N1)C(=O)O)C(=O)O","InChI=1S/C8H11N3O4/c1-11-3-2-9-5(7(12)13)4(3)6(10-11)8(14)15/h3-5,9H,2H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1","","2017-03-10","2017-07-21","(3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid","2017-07-26"],["PWG","3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine","C8 H4 F5 N3","n2c1c(C(F)(F)F)cccn1c(n2)C(F)F;FC(F)c1nnc2n1cccc2C(F)(F)F;c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F","InChI=1S/C8H4F5N3/c9-5(10)7-15-14-6-4(8(11,12)13)2-1-3-16(6)7/h1-3,5H","","2019-08-27","2019-12-20","3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine","2019-12-25"],["8VF","(4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide","C39 H51 N5 O6 S","CCN(CCN)c1cc(C)c(OCC(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45)c(C)c1;CCN(CCN)c1cc(c(c(c1)C)OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC4c5ccccc5CC4O)(C)C)O)C","InChI=1S/C39H51N5O6S/c1-6-43(17-16-40)28-18-24(2)35(25(3)19-28)50-22-32(46)41-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(4,5)36(44)37(48)42-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,45,47H,6,16-17,20-23,40H2,1-5H3,(H,41,46)(H,42,48)/t30-,31+,33-,34-,36+/m0/s1","","2017-10-04","2018-07-06","(4~{R})-3-[(2~{S},3~{S})-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide","2018-07-11"],["PWH","3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","C14 H16 O4","O=C(OCC=C(/C)C)C=Cc1cc(O)c(O)cc1;CC(C)=CCOC(=O)C=Cc1ccc(O)c(O)c1;CC(=CCOC(=O)C=Cc1ccc(c(c1)O)O)C","InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+","","2014-03-28","2014-11-21","3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","2014-11-26"],["8VG","5-[[(5~{S})-6-[[(1~{S})-1-(4-hydroxyphenyl)-2-oxidanylidene-2-(prop-2-ynylamino)ethyl]amino]-6-oxidanylidene-5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]hexyl]amino]-5-sulfanylidene-pentanoic acid","C31 H33 F3 N6 O6 S","OC(=O)CCCC(=S)NCCCC[CH](NC(=O)c1ccc(cc1)C2(N=N2)C(F)(F)F)C(=O)N[CH](C(=O)NCC#C)c3ccc(O)cc3;C#CCNC(=O)C(c1ccc(cc1)O)NC(=O)C(CCCCNC(=S)CCCC(=O)O)NC(=O)c2ccc(cc2)C3(N=N3)C(F)(F)F","InChI=1S/C31H33F3N6O6S/c1-2-17-36-29(46)26(19-11-15-22(41)16-12-19)38-28(45)23(6-3-4-18-35-24(47)7-5-8-25(42)43)37-27(44)20-9-13-21(14-10-20)30(39-40-30)31(32,33)34/h1,9-16,23,26,41H,3-8,17-18H2,(H,35,47)(H,36,46)(H,37,44)(H,38,45)(H,42,43)/t23-,26-/m0/s1","","2022-03-09","2023-09-01","5-[[(5~{S})-6-[[(1~{S})-1-(4-hydroxyphenyl)-2-oxidanylidene-2-(prop-2-ynylamino)ethyl]amino]-6-oxidanylidene-5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]hexyl]amino]-5-sulfanylidene-pentanoic acid","2023-09-06"],["PWI","4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine","C18 H17 Cl2 N O","CNCC#CCOCc1cc(Cl)ccc1c2ccc(Cl)cc2;CNCC#CCOCc1cc(ccc1c2ccc(cc2)Cl)Cl","InChI=1S/C18H17Cl2NO/c1-21-10-2-3-11-22-13-15-12-17(20)8-9-18(15)14-4-6-16(19)7-5-14/h4-9,12,21H,10-11,13H2,1H3","","2023-03-08","2023-08-25","4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-~{N}-methyl-but-2-yn-1-amine","2023-08-30"],["8VH","1,3-dimethylbenzene","C8 H10","Cc1cccc(C)c1;Cc1cccc(c1)C","InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3","","2017-03-13","2024-09-27","1,3-dimethylbenzene","2017-09-13"],["PWJ","8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile","C9 H3 Cl F3 N3","n21c(ncc1)c(c(c(c2)C(F)(F)F)C#N)Cl;FC(F)(F)c1cn2ccnc2c(Cl)c1C#N;c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F","InChI=1S/C9H3ClF3N3/c10-7-5(3-14)6(9(11,12)13)4-16-2-1-15-8(7)16/h1-2,4H","","2019-08-27","2019-12-20","8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile","2019-12-25"],["8VI","N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide","C24 H31 N5 O3","CCN(C(=O)c1ccccc1OC)c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[CH]4C;CCN(c1cc2c(cc1N3CCNCC3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC","InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1","","2016-05-16","2016-07-01","N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide","2016-07-06"],["PWK","4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)","C20 H26 O4","Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2;COc1cc(C[CH](C)[CH](C)Cc2ccc(O)c(OC)c2)ccc1O;CC(Cc1ccc(c(c1)OC)O)C(C)Cc2ccc(c(c2)OC)O","InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1","Dihydroguaiaretic acid","2014-04-02","2020-06-17","4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)","2014-11-26"],["8VJ","7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine","C19 H21 N3 O","CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1;CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N","InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)","","2015-08-20","2015-10-23","7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine","2015-10-28"],["PWL","6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine","C7 H6 Br N3","Brc1cc2[NH]ccc2nc1N;Nc1nc2cc[nH]c2cc1Br;c1c[nH]c2c1nc(c(c2)Br)N","InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11)","","2022-05-31","2022-09-30","6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine","2022-10-05"],["8VK","ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate","C39 H48 Cl N5 O7","CCOC(=O)[CH]1C[CH](CC)[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45;CCC1CC(N2C1C=CC3CCN(C3C2=O)C(=O)C4CCC5N4C(=O)C6(CCCN6C(=O)C(Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC","InChI=1S/C39H48ClN5O7/c1-4-24-22-32(37(50)52-5-2)45-30(24)13-11-25-16-20-42(33(25)36(45)49)35(48)31-14-12-27-15-18-39(38(51)44(27)31)17-8-19-43(39)34(47)29(41-23(3)46)21-26-9-6-7-10-28(26)40/h6-7,9-11,13,15,18,24-25,27,29-33H,4-5,8,12,14,16-17,19-22H2,1-3H3,(H,41,46)/t24-,25+,27+,29+,30+,31+,32+,33+,39-/m1/s1","","2017-03-13","2018-03-16","ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate","2018-03-21"],["PWM","5-fluoroquinazolin-4(3H)-one","C8 H5 F N2 O","N1C(=O)c2c(N=C1)cccc2F;Fc1cccc2N=CNC(=O)c12;c1cc2c(c(c1)F)C(=O)NC=N2","InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)","","2019-08-27","2019-12-20","5-fluoroquinazolin-4(3H)-one","2019-12-25"],["8VL","4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid","C24 H21 Br N2 O3","C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23;CC(c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N","InChI=1S/C24H21BrN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1","","2017-10-04","2018-11-30","4-[2-[[(2~{R})-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid","2018-12-05"],["8VM","5-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-N-(1H-tetrazol-5-yl)thiophene-2-carboxamide","C25 H35 N5 O3 S","C(c2c(cc(C(c1ccc(c(c1)C)OCC(C(C)(C)C)O)(CC)CC)s2)C)(Nc3nnnn3)=O;CCC(CC)(c1sc(c(C)c1)C(=O)Nc2[nH]nnn2)c3ccc(OC[CH](O)C(C)(C)C)c(C)c3;CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C","InChI=1S/C25H35N5O3S/c1-8-25(9-2,17-10-11-18(15(3)12-17)33-14-19(31)24(5,6)7)20-13-16(4)21(34-20)22(32)26-23-27-29-30-28-23/h10-13,19,31H,8-9,14H2,1-7H3,(H2,26,27,28,29,30,32)/t19-/m1/s1","","2017-03-07","2018-03-09","5-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-N-(1H-tetrazol-5-yl)thiophene-2-carboxamide","2018-03-14"],["PWN","2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid","C12 H12 N2 O4","OC(=O)c1ccccc1C=NNC(=O)CCC=O;c1ccc(c(c1)C=NNC(=O)CCC=O)C(=O)O","InChI=1S/C12H12N2O4/c15-7-3-6-11(16)14-13-8-9-4-1-2-5-10(9)12(17)18/h1-2,4-5,7-8H,3,6H2,(H,14,16)(H,17,18)/b13-8+","","2020-04-30","2021-01-15","2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid","2021-01-20"],["PWP","6-fluoroquinazolin-4(3H)-one","C8 H5 F N2 O","N2C(c1cc(F)ccc1N=C2)=O;Fc1ccc2N=CNC(=O)c2c1;c1cc2c(cc1F)C(=O)NC=N2","InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)","","2019-08-27","2019-12-20","6-fluoroquinazolin-4(3H)-one","2019-12-25"],["8VN","(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid","C7 H8 N2 O5","OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O;C1C2C(C(N1)C(=O)O)C(=NO2)C(=O)O","InChI=1S/C7H8N2O5/c10-6(11)4-3-2(1-8-4)14-9-5(3)7(12)13/h2-4,8H,1H2,(H,10,11)(H,12,13)/t2-,3-,4-/m0/s1","","2017-03-13","2017-07-21","(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid","2017-07-26"],["PWQ","4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid","C12 H12 N2 O4","OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O;c1cc(ccc1C=NNC(=O)CCC=O)C(=O)O","InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+","","2020-04-30","2024-09-27","4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid","2021-01-20"],["8VO","(4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide","C37 H45 N5 O6 S2","CSC[CH](NC(=O)Cc1ccc(N)cc1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)NC4c5ccccc5CC4O)C","InChI=1S/C37H45N5O6S2/c1-37(2)33(35(47)41-31-26-12-8-7-11-24(26)19-29(31)43)42(21-50-37)36(48)32(45)27(17-22-9-5-4-6-10-22)40-34(46)28(20-49-3)39-30(44)18-23-13-15-25(38)16-14-23/h4-16,27-29,31-33,43,45H,17-21,38H2,1-3H3,(H,39,44)(H,40,46)(H,41,47)/t27-,28-,29+,31-,32-,33+/m0/s1","","2017-10-04","2018-07-06","(4~{R})-3-[(2~{S},3~{S})-3-[[(2~{R})-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide","2018-07-11"],["PWR","(4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H15 Cl N2 O3","[O-][n+]1cc2ccccc2c(c1)NC(=O)C1CCOc2ccc(Cl)cc21;[O-][n+]1cc(NC(=O)[CH]2CCOc3ccc(Cl)cc23)c4ccccc4c1;c1ccc2c(c1)c[n+](cc2NC(=O)C3CCOc4c3cc(cc4)Cl)[O-]","InChI=1S/C19H15ClN2O3/c20-13-5-6-18-16(9-13)15(7-8-25-18)19(23)21-17-11-22(24)10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,21,23)/t15-/m1/s1","","2023-08-18","2024-01-23","(4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["8VP","2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole","C22 H24 N8 O S","CCc1cnc(nc1)N2CCC(CC2)c3scc(COc4ccc(cc4)n5cnnn5)n3;CCc1cnc(nc1)N2CCC(CC2)c3nc(cs3)COc4ccc(cc4)n5cnnn5","InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3","MBX-2982 ","2021-12-27","2022-12-16","2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole","2022-12-21"],["8VR","(2R,4aR,6R,7R,8R,8aR)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid","C9 H14 O8","C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O","InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6+,7-,9-/m1/s1","","2017-10-05","2018-08-24","(2~{R},4~{a}~{R},6~{R},7~{R},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid","2018-08-29"],["PWS","3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one","C7 H7 F3 N2 O S","N=1C(C(F)(F)F)=CC(=O)N(C)C=1SC;CSC1=NC(=CC(=O)N1C)C(F)(F)F;CN1C(=O)C=C(N=C1SC)C(F)(F)F","InChI=1S/C7H7F3N2OS/c1-12-5(13)3-4(7(8,9)10)11-6(12)14-2/h3H,1-2H3","","2019-08-27","2019-12-20","3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one","2019-12-25"],["PWT","2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid","C13 H16 N2 O4","OC(=O)c1ccccc1CNNC(=O)CCCC=O;c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O","InChI=1S/C13H16N2O4/c16-8-4-3-7-12(17)15-14-9-10-5-1-2-6-11(10)13(18)19/h1-2,5-6,8,14H,3-4,7,9H2,(H,15,17)(H,18,19)","","2020-04-30","2021-01-15","2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid","2021-01-20"],["8VS","4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide","C34 H39 Br N4 O4","N(C(C(c1ccccc1)C2CCCCC2)=O)C(C(=O)NC(C(=O)NC)Cc3cc(ccc3)Br)Cc4ccc(cc4)C(=O)N;CNC(=O)[CH](Cc1cccc(Br)c1)NC(=O)[CH](Cc2ccc(cc2)C(N)=O)NC(=O)[CH](C3CCCCC3)c4ccccc4;CNC(=O)C(Cc1cccc(c1)Br)NC(=O)C(Cc2ccc(cc2)C(=O)N)NC(=O)C(c3ccccc3)C4CCCCC4","InChI=1S/C34H39BrN4O4/c1-37-32(41)28(21-23-9-8-14-27(35)19-23)38-33(42)29(20-22-15-17-26(18-16-22)31(36)40)39-34(43)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2,4-5,8-11,14-19,25,28-30H,3,6-7,12-13,20-21H2,1H3,(H2,36,40)(H,37,41)(H,38,42)(H,39,43)/t28-,29-,30-/m0/s1","","2017-03-07","2017-08-11","4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide","2017-08-16"],["PWU","ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE","C26 H27 N7 O2","CC(C)OC(=O)n1c2cc(Nc3ccc(cc3)c4cnc(C)n4C)ncc2cc1c5cnn(C)c5;Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3","InChI=1S/C26H27N7O2/c1-16(2)35-26(34)33-22(20-13-29-31(4)15-20)10-19-12-28-25(11-23(19)33)30-21-8-6-18(7-9-21)24-14-27-17(3)32(24)5/h6-16H,1-5H3,(H,28,30)","","2015-09-14","2015-09-18","propan-2-yl 6-[[4-(2,3-dimethylimidazol-4-yl)phenyl]amino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate","2015-09-23"],["8VT","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide","C30 H40 N2 O13","COc1cccc(CO[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](NC(=O)c4cccc(OC)c4)[CH](NC(C)=O)O[CH]3CO)[CH]2O)c1;CC(=O)NC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC","InChI=1S/C30H40N2O13/c1-15(35)31-29-22(32-28(39)17-7-5-9-19(11-17)41-3)24(37)26(21(13-34)43-29)45-30-25(38)27(23(36)20(12-33)44-30)42-14-16-6-4-8-18(10-16)40-2/h4-11,20-27,29-30,33-34,36-38H,12-14H2,1-3H3,(H,31,35)(H,32,39)/t20-,21-,22-,23+,24-,25-,26-,27+,29-,30+/m1/s1","","2017-03-13","2017-06-16","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide","2017-06-21"],["PWV","5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile","C18 H15 Cl N4 O2","O=C1C(=Cc2c(N1)ccc(c2)Cl)C(NC=3C(N(C(=CC=3)C#N)C)=O)C;C[CH](NC1=CC=C(C#N)N(C)C1=O)C2=Cc3cc(Cl)ccc3NC2=O;CC(C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N","InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1","","2019-08-27","2020-02-28","5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile","2020-03-04"],["8VU","(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one","C19 H26 F3 N3 O3","C(CC(Cc1c(cc(c(c1)F)F)F)N)(N2C(COC(C)(C)C)C(NCC2)=O)=O;CC(C)(C)OC[CH]1N(CCNC1=O)C(=O)C[CH](N)Cc2cc(F)c(F)cc2F;CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(Cc2cc(c(cc2F)F)F)N","InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1","","2017-10-10","2019-03-15","(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butoxymethyl)piperazin-2-one","2019-03-20"],["8VV","(1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium","C12 H21 N4 O5 S","O=S(CC(N)C(=O)O)c1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1;C[N+](C)(C)[CH](Cc1c[nH]c(n1)[S](=O)C[CH](N)C(O)=O)C(O)=O;C[N+](C)(C)C(Cc1c[nH]c(n1)S(=O)CC(C(=O)O)N)C(=O)O","InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22+/m0/s1","","2017-03-08","2024-05-08","(1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium","2018-03-07"],["PWW","4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid","C13 H14 N2 O4","OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O;c1cc(ccc1C=NNC(=O)CCCC=O)C(=O)O","InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+","","2020-04-30","2024-09-27","4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid","2021-01-20"],["PWX","7-chloro-1-methyl-1H-benzimidazol-2-amine","C8 H8 Cl N3","Clc1cccc2nc(N)n(C)c12;Cn1c(N)nc2cccc(Cl)c12;Cn1c2c(cccc2Cl)nc1N","InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)","","2022-05-31","2022-09-30","7-chloro-1-methyl-1H-benzimidazol-2-amine","2022-10-05"],["8VW","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide","C22 H32 N2 O12","COc1cccc(c1)C(=O)N[CH]2[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](CO)O[CH]2NC(C)=O;CC(=O)NC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC","InChI=1S/C22H32N2O12/c1-9(27)23-21-14(24-20(32)10-4-3-5-11(6-10)33-2)16(29)19(13(8-26)34-21)36-22-18(31)17(30)15(28)12(7-25)35-22/h3-6,12-19,21-22,25-26,28-31H,7-8H2,1-2H3,(H,23,27)(H,24,32)/t12-,13-,14-,15+,16-,17+,18-,19-,21-,22+/m1/s1","","2017-03-14","2017-06-16","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide","2017-06-21"],["PWY","(6-methoxynaphthalen-2-yl)acetic acid","C13 H12 O3","c1cc(CC(=O)O)cc2c1cc(cc2)OC;COc1ccc2cc(CC(O)=O)ccc2c1;COc1ccc2cc(ccc2c1)CC(=O)O","InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)","","2019-08-28","2019-08-30","(6-methoxynaphthalen-2-yl)acetic acid","2019-09-04"],["8VX","(R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide","C24 H30 Cl N5 O5 S","COc1ccc(Cl)cc1C[CH]2CNC(CN(CC(=O)Nc3cccc(c3)[S](C)(=O)=O)C2=O)=NN(C)C;CN(C)N=C1CN(C(=O)C(CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C","InChI=1S/C24H30ClN5O5S/c1-29(2)28-22-14-30(15-23(31)27-19-6-5-7-20(12-19)36(4,33)34)24(32)17(13-26-22)10-16-11-18(25)8-9-21(16)35-3/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,26,28)(H,27,31)/t17-/m1/s1","2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]-N-(3-methylsulfonylphenyl)ethanamide","2017-10-11","2021-03-13","2-[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]-~{N}-(3-methylsulfonylphenyl)ethanamide","2017-12-06"],["PWZ","(5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid","C21 H34 O4","O=C(O)CCC/C=C/CC2C1OCC(C1)C2/C=C/C(O)CCCCC;CCCCC[CH](O)C=C[CH]1[CH]2CO[CH](C2)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O","InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16-,17+,18+,19-,20-/m1/s1","","2013-01-09","2013-03-15","(5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid","2013-03-20"],["8VY","1,3-bis(bromomethyl)benzene","C8 H8 Br2","BrCc1cccc(CBr)c1;c1cc(cc(c1)CBr)CBr","InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2","alpha,alpha'-dibromo-m-xylene","2017-03-08","2024-09-27","1,3-bis(bromomethyl)benzene","2017-07-19"],["8W0","propyl (3~{S})-4-[[(6~{R})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate","C24 H32 N4 O3","CCCOC(=O)N1CCN([CH](C)C1)C(=O)c2ccc3cc4CC[CH](CN)Cc4nc3c2;CCCOC(=O)N1CCN(C(C1)C)C(=O)c2ccc3cc4c(nc3c2)CC(CC4)CN","InChI=1S/C24H32N4O3/c1-3-10-31-24(30)27-8-9-28(16(2)15-27)23(29)20-7-6-19-12-18-5-4-17(14-25)11-21(18)26-22(19)13-20/h6-7,12-13,16-17H,3-5,8-11,14-15,25H2,1-2H3/t16-,17+/m0/s1","","2017-10-12","2024-09-27","propyl (3~{S})-4-[[(6~{R})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate","2018-10-17"],["PX0","(~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid","C39 H53 Cl N2 O11","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)CCCCCCCC=CC(O)=O)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)CCCCCCCC=CC(=O)O)C)C)OC)(NC(=O)O2)O","InChI=1S/C39H53ClN2O11/c1-24-15-14-16-30(50-6)39(48)23-29(51-37(47)41-39)25(2)36-38(3,53-36)31(52-34(46)18-13-11-9-7-8-10-12-17-33(44)45)22-32(43)42(4)27-20-26(19-24)21-28(49-5)35(27)40/h12,14-17,20-21,25,29-31,36,48H,7-11,13,18-19,22-23H2,1-6H3,(H,41,47)(H,44,45)/b16-14+,17-12-,24-15+/t25-,29-,30-,31+,36+,38+,39+/m1/s1","","2022-10-05","2023-08-18","(~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid","2023-08-23"],["PX1","(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE","C16 H13 N3 O6","O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO;Cc1c(N)cc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=N)C3=C(O)O)Oc12;Cc1c(cc(c2c1OC3=C(C(=O)C(=N)C(=C(O)O)C3=N2)C)C(=O)O)N","InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-","","2003-09-10","2024-09-27","(1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde",""],["8W1","(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one","C9 H7 F3 N2 O","FC(F)(F)c1cn2C=C(C)NC(=O)c2c1;CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F;CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F","InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)","","2021-10-01","2022-02-04","(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one","2022-02-09"],["PX2","1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE","C27 H52 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC","InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate",""],["8W2","2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one","C20 H19 Cl2 N5 O","Clc1cc(Cl)c2cc(CNCCCNC3=Nc4ccccc4C(=O)N3)[nH]c2c1;c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl","InChI=1S/C20H19Cl2N5O/c21-12-8-16(22)15-10-13(25-18(15)9-12)11-23-6-3-7-24-20-26-17-5-2-1-4-14(17)19(28)27-20/h1-2,4-5,8-10,23,25H,3,6-7,11H2,(H2,24,26,27,28)","","2017-03-15","2017-10-06","2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one","2017-10-11"],["PX3","5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid","C28 H28 N2 O6","O=C(NCc1ccc(OC)cc1)c2ccccc2CN(C/C=C)Cc3ccc4OCOc4c3C(=O)O;COc1ccc(CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4OCOc4c3C(O)=O)cc1;COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C28H28N2O6/c1-3-14-30(17-21-10-13-24-26(36-18-35-24)25(21)28(32)33)16-20-6-4-5-7-23(20)27(31)29-15-19-8-11-22(34-2)12-9-19/h3-13H,1,14-18H2,2H3,(H,29,31)(H,32,33)","","2012-11-21","2014-09-05","5-{[{2-[(4-methoxybenzyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid","2012-11-30"],["8W3","2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic\nacid","C30 H32 Cl N5 O6","CC[CH](NC(=O)N1CC(NC[CH](Cc2cc(Cl)ccc2OC)C1=O)=NOc3ccccc3)c4ccc(C(O)=O)c(N)c4;CCC(c1ccc(c(c1)N)C(=O)O)NC(=O)N2CC(=NOc3ccccc3)NCC(C2=O)Cc4cc(ccc4OC)Cl","InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1","2-azanyl-4-[(1R)-1-[[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]\ncarbonylamino]propyl]benzoic acid","2017-10-12","2020-06-17","2-azanyl-4-[(1~{R})-1-[[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]carbonylamino]propyl]benzoic acid","2017-12-27"],["8W4","N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide","C36 H43 N5 O5 S","c1c(cccc1)CC(NC(=O)c2cc4c3c(c2)c(CC)cn3CC(S(=O)(N4C)=O)(C)C)C(C6NCCN(Cc5ccccc5)C6=O)O;CCc1cn2CC(C)(C)[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH]5NCCN(Cc6ccccc6)C5=O;CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)NC(Cc4ccccc4)C(C5C(=O)N(CCN5)Cc6ccccc6)O","InChI=1S/C36H43N5O5S/c1-5-26-22-41-23-36(2,3)47(45,46)39(4)30-20-27(19-28(26)32(30)41)34(43)38-29(18-24-12-8-6-9-13-24)33(42)31-35(44)40(17-16-37-31)21-25-14-10-7-11-15-25/h6-15,19-20,22,29,31,33,37,42H,5,16-18,21,23H2,1-4H3,(H,38,43)/t29-,31-,33-/m0/s1","","2017-03-08","2017-04-28","N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide","2017-05-03"],["PX4","1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C36 H73 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC","InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1","","2004-07-27","2011-06-04","(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",""],["PX5","4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one","C13 H9 N O2 S","O=C3C=CC(O)(c1nc2ccccc2s1)C=C3;OC1(C=CC(=O)C=C1)c2sc3ccccc3n2;c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O","InChI=1S/C13H9NO2S/c15-9-5-7-13(16,8-6-9)12-14-10-3-1-2-4-11(10)17-12/h1-8,16H","4-(benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dienone","2010-08-30","2024-09-27","4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one",""],["8W5","(1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one","C25 H34 O6","CCC[CH]1O[CH]2C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[CH]4[CH](O)C[C]3(C)[C]2(O1)C(=O)CO;CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C","InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1","","2017-03-15","2017-09-29","(1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one","2017-10-04"],["PX6","1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE","C35 H68 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate",""],["8W6","4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid","C26 H31 Cl N4 O6","CCON=C1CN(C(=O)N[CH](CC)c2ccc(cc2)C(O)=O)C(=O)[CH](CN1)Cc3cc(Cl)ccc3OC;CCC(c1ccc(cc1)C(=O)O)NC(=O)N2CC(=NOCC)NCC(C2=O)Cc3cc(ccc3OC)Cl","InChI=1S/C26H31ClN4O6/c1-4-21(16-6-8-17(9-7-16)25(33)34)29-26(35)31-15-23(30-37-5-2)28-14-19(24(31)32)12-18-13-20(27)10-11-22(18)36-3/h6-11,13,19,21H,4-5,12,14-15H2,1-3H3,(H,28,30)(H,29,35)(H,33,34)/t19-,21-/m1/s1","4-[(1R)-1-[[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-ethoxyimino-7-oxidanylidene-1,4-diazepan-1-yl]carbonylamino]propyl]benzoic acid","2017-10-12","2021-03-13","4-[(1~{R})-1-[[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-ethoxyimino-7-oxidanylidene-1,4-diazepan-1-yl]carbonylamino]propyl]benzoic acid","2017-12-27"],["PX7","4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","C8 H8 N2 O3 S","N2S(c1ccccc1N(C2=O)C)(=O)=O;CN1C(=O)N[S](=O)(=O)c2ccccc12;CN1c2ccccc2S(=O)(=O)NC1=O","InChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11)","","2019-08-28","2019-12-13","4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","2019-12-18"],["8W7","(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione","C25 H27 N3 O5","c1cc(c2c(c1)C(N(C2)C3C(NC(CC3)=O)=O)=O)OCc5ccc(CN4CCOCC4)cc5;O=C1CC[CH](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1;c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)C5CCC(=O)NC5=O","InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1","","2017-03-08","2017-04-28","(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione","2017-05-03"],["8W8","2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide","C25 H21 F4 N3 O3","COc1cccc(c1)[CH](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[CH](C)NC(=O)C(F)(F)F;CC(C(c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F","InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1","","2017-03-16","2017-09-29","2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide","2017-10-04"],["PX8","1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE","C39 H76 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(octadecanoyloxy)propyl hydrogen phosphate",""],["PX9","Pramocaine","C17 H27 N O3","O(c2ccc(OCCCN1CCOCC1)cc2)CCCC;CCCCOc1ccc(OCCCN2CCOCC2)cc1;CCCCOc1ccc(cc1)OCCCN2CCOCC2","InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3","","2015-02-06","2015-06-26","4-[3-(4-butoxyphenoxy)propyl]morpholine","2015-07-01"],["8W9","5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one","C10 H13 N3 O","CN1C(=O)N(C)c2cc(CN)ccc12;CN1c2ccc(cc2N(C1=O)C)CN","InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3","","2017-10-13","2018-04-27","5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one","2018-05-02"],["PXA","2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE","C15 H11 N3 O6","O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O;Cc1cnc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12;Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O","InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23)","(8-AZA)PHENOXAZINE","1999-07-08","2024-09-27","8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde",""],["8WA","N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine","C18 H19 Cl3 N6","Clc1ccc2c(n1)nc(n2)N(C)CCNC3c4c(NCC3)c(cc(c4)Cl)Cl;CN(CCN[CH]1CCNc2c(Cl)cc(Cl)cc12)c3[nH]c4ccc(Cl)nc4n3;CN(CCNC1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl","InChI=1S/C18H19Cl3N6/c1-27(18-24-14-2-3-15(21)25-17(14)26-18)7-6-22-13-4-5-23-16-11(13)8-10(19)9-12(16)20/h2-3,8-9,13,22-23H,4-7H2,1H3,(H,24,25,26)/t13-/m1/s1","","2017-03-09","2017-07-21","N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine","2017-07-26"],["PXB","parecoxib","C19 H18 N2 O4 S","O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)cc3)CC;CCC(=O)N[S](=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3;CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C","InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)","N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide","2008-06-17","2020-06-17","N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide",""],["8WB","2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one","C17 H18 O5","COC1=CC=C(C=CC1=O)c2ccc(OC)c(OC)c2OC;COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC","InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3","","2017-03-16","2017-10-20","2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one","2017-10-25"],["8WC","4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile","C25 H25 N3 O","Cc1ccc(cc1)c2ncc(OCC3CCNCC3)cc2c4ccc(cc4)C#N;Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N","InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3","","2017-10-13","2018-06-29","4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile","2018-07-04"],["PXC","phenazine-1,6-dicarboxylic acid","C14 H8 N2 O4","OC(=O)c1cccc2nc3c(cccc3C(O)=O)nc12;c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O","InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)","","2009-12-16","2011-06-04","phenazine-1,6-dicarboxylic acid",""],["PXD","2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide","C16 H14 F5 N5 O5 S","FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2;COc1cnc(OC)n2nc(N[S](=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12;COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC","InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)","Penoxsulam","2014-06-05","2020-06-17","2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide","2018-02-14"],["8WD","N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide","C20 H30 N4 O4 S","NC1CCC(CC1)S(=O)(=O)N2C3CCC2CC(C3)NC(c5noc(C4CC4)c5)=O;N[CH]1CC[CH](CC1)[S](=O)(=O)N2[CH]3CC[CH]2C[CH](C3)NC(=O)c4cc(on4)C5CC5;c1c(onc1C(=O)NC2CC3CCC(C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5","InChI=1S/C20H30N4O4S/c21-13-3-7-17(8-4-13)29(26,27)24-15-5-6-16(24)10-14(9-15)22-20(25)18-11-19(28-23-18)12-1-2-12/h11-17H,1-10,21H2,(H,22,25)/t13-,14-,15+,16-,17-","","2017-03-10","2018-03-02","N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide","2018-03-07"],["PXE","2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime","C10 H13 N O2","O=C1C=C(C(=NO)C=C1C(C)C)C;CC(C)C1=CC(=NO)C(=CC1=O)C;CC1=CC(=O)C(=CC1=NO)C(C)C","InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+","(E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone","2010-04-12","2020-06-17","(4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one",""],["8WE","(2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide","C29 H45 N O6","CC=CC=CC(=O)N[CH](O)[CH]1CC(=C[CH]2C[CH](C)C[CH](CCCC(=O)C[CH](C)CCCC(=O)O1)O2)C;CC=CC=CC(=O)NC(C1CC(=CC2CC(CC(O2)CCCC(=O)CC(CCCC(=O)O1)C)C)C)O","InChI=1S/C29H45NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-7,13,18,20-21,24-26,29,34H,8-12,14-17,19H2,1-4H3,(H,30,32)/b6-5+,13-7-,22-18+/t20-,21-,24+,25+,26+,29+/m1/s1","","2017-03-16","2024-09-27","(2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide","2017-10-25"],["PXF","2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE","C16 H11 F N2 O6","C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C;Cc1cc(F)c(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12;Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O)F","InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24)","8-FLUORO-PHENOXAZINE","1999-07-08","2024-09-27","2-amino-8-fluoro-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde",""],["8WF","2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol","C21 H31 N O2","CCCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-];CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O","InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,23H,2-11,14H2,1H3","2-dodecyl -4-HYDROXY QUINOLINE N-OXIDE","2017-10-16","2020-06-17","2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol","2018-02-14"],["PXG","3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID","C15 H17 N2 O7 P","O=C(O)c1cc(ccc1)NCc2c(cnc(c2O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNc2cccc(c2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O","InChI=1S/C15H17N2O7P/c1-9-14(18)13(11(6-16-9)8-24-25(21,22)23)7-17-12-4-2-3-10(5-12)15(19)20/h2-6,17-18H,7-8H2,1H3,(H,19,20)(H2,21,22,23)","","1999-10-07","2011-06-04","3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid",""],["8WG","N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide","C20 H22 Cl N7 O","c1(Cl)ccc(cc1)Cn5cc(CN4CC(NC(c2nnn(c2)C3CC3)=O)C4)cn5;Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)cn2)cc1;c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl","InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)","","2017-03-10","2018-04-20","N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide","2018-04-25"],["PXH","(2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid","C15 H21 N O4 S2","CC1(C)S[CH](N[CH]1C(O)=O)[CH](C=O)[CH](O)CCc2sccc2;CC1(C(NC(S1)C(C=O)C(CCc2cccs2)O)C(=O)O)C","InChI=1S/C15H21NO4S2/c1-15(2)12(14(19)20)16-13(22-15)10(8-17)11(18)6-5-9-4-3-7-21-9/h3-4,7-8,10-13,16,18H,5-6H2,1-2H3,(H,19,20)/t10-,11-,12+,13-/m1/s1","","2017-08-08","2024-09-27","(2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid","2017-09-27"],["8WH","3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid","C23 H21 N5 O4","OC(=O)c1cccc(Cn2cc(nn2)c3cccc4C(=O)CC(=Nc34)N5CCOCC5)c1;c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5","InChI=1S/C23H21N5O4/c29-20-12-21(27-7-9-32-10-8-27)24-22-17(5-2-6-18(20)22)19-14-28(26-25-19)13-15-3-1-4-16(11-15)23(30)31/h1-6,11,14H,7-10,12-13H2,(H,30,31)","","2017-03-17","2017-09-08","3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid","2017-09-13"],["PXI","4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE","C25 H43 N O6","O=C2OC(CC)C(C=CC(=O)C(C)CC(C(OC1OC(CC(N(C)C)C1O)C)C2C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C;CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)C","InChI=1S/C25H43NO6/c1-9-21-14(2)10-11-20(27)15(3)12-16(4)23(18(6)24(29)31-21)32-25-22(28)19(26(7)8)13-17(5)30-25/h10-11,14-19,21-23,25,28H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16+,17+,18-,19-,21-,22+,23+,25-/m1/s1","","2005-11-09","2011-06-04","(3R,4S,5S,7S,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-L-xylo-hexopyranoside",""],["8WJ","(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide","C22 H29 N3 O4 S2","N(c1sccn1)C(=O)C(CC2CCCCC2)N3C(C=C(C=C3)S(C4CCCC4)(=O)=O)=O;O=C(Nc1sccn1)[CH](CC2CCCCC2)N3C=CC(=CC3=O)[S](=O)(=O)C4CCCC4;c1csc(n1)NC(=O)C(CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4","InChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1","","2017-03-13","2017-05-26","(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide","2017-05-31"],["PXJ","N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)","C20 H24 N2 O6","Oc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(O)c2O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O","InChI=1S/C20H24N2O6/c23-15-9-5-7-13(17(15)25)19(27)21-11-3-1-2-4-12-22-20(28)14-8-6-10-16(24)18(14)26/h5-10,23-26H,1-4,11-12H2,(H,21,27)(H,22,28)","","2015-06-23","2016-07-01","N-[6-[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexyl]-2,3-bis(oxidanyl)benzamide","2016-07-06"],["8WK","5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one","C24 H23 F4 N7 O3","OC1(CCN(CC1)C(=O)C[CH](C(F)F)n2ccc(F)n2)CN3C=Nc4n(ncc4C3=O)c5ccc(F)cc5;c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C(F)F)n5ccc(n5)F)O)F","InChI=1S/C24H23F4N7O3/c25-15-1-3-16(4-2-15)35-22-17(12-30-35)23(37)33(14-29-22)13-24(38)6-9-32(10-7-24)20(36)11-18(21(27)28)34-8-5-19(26)31-34/h1-5,8,12,14,18,21,38H,6-7,9-11,13H2/t18-/m0/s1","","2017-03-17","2017-10-13","5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one","2017-10-18"],["PXK","6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole","C12 H14 N2 S","CC(C)(C)C#CCc1c[nH]c2ncsc12;CC(C)(C)C#CCc1c[nH]c2c1scn2","InChI=1S/C12H14N2S/c1-12(2,3)6-4-5-9-7-13-11-10(9)15-8-14-11/h7-8,13H,5H2,1-3H3","","2010-12-16","2020-02-13","6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole",""],["8WL","N-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine","C21 H24 F N7 O5 S","CC(C)c1noc(n1)C2CCN(CC2)c3ncnc(Nc4ccc(cc4F)[S](C)(=O)=O)c3[N+]([O-])=O;CC(C)c1nc(on1)C2CCN(CC2)c3c(c(ncn3)Nc4ccc(cc4F)S(=O)(=O)C)[N+](=O)[O-]","InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)","AR231453","2021-12-27","2022-12-16","~{N}-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine","2022-12-21"],["PXL","3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE","C8 H9 N O3","O=Cc1c(cnc(c1O)C)CO;Cc1ncc(CO)c(C=O)c1O;Cc1c(c(c(cn1)CO)C=O)O","InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3","PYRIDOXAL","2004-05-24","2024-09-27","3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde",""],["8WM","(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide","C21 H23 F N4 O4 S2","c1(sc(F)cn1)NC(=O)C(CC2CCOCC2)n3c4c(cn3)c(ccc4)S(=O)(=O)C5CC5;Fc1sc(NC(=O)[CH](CC2CCOCC2)n3ncc4c3cccc4[S](=O)(=O)C5CC5)nc1;c1cc2c(cnn2C(CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5","InChI=1S/C21H23FN4O4S2/c22-19-12-23-21(31-19)25-20(27)17(10-13-6-8-30-9-7-13)26-16-2-1-3-18(15(16)11-24-26)32(28,29)14-4-5-14/h1-3,11-14,17H,4-10H2,(H,23,25,27)/t17-/m0/s1","","2017-03-13","2017-05-26","(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide","2017-05-31"],["PXM","4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL","C8 H12 N2 O2","Oc1c(c(cnc1C)CO)CN;Cc1ncc(CO)c(CN)c1O;Cc1c(c(c(cn1)CO)CN)O","InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3","PYRIDOXAMINE","2003-11-13","2020-06-17","4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol",""],["8WN","~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide","C27 H30 N6 O5 S","CC[S](=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(O)(CC3)CN4C=Nc5n(C)ncc5C4=O;CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O","InChI=1S/C27H30N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h4-11,16,18,30,36H,3,12-15,17H2,1-2H3","","2017-03-17","2024-09-27","~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide","2017-10-18"],["PXN","(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol","C17 H36 O8","O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C;C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O;CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O","InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1","PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)","2010-04-21","2020-06-17","(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol",""],["8WO","6-methoxy-1-methyl-2H-pyridine-3-carboxamide","C8 H12 N2 O2","COC1=CC=C(CN1C)C(N)=O;CN1CC(=CC=C1OC)C(=O)N","InChI=1S/C8H12N2O2/c1-10-5-6(8(9)11)3-4-7(10)12-2/h3-4H,5H2,1-2H3,(H2,9,11)","","2017-10-17","2018-03-16","6-methoxy-1-methyl-2~{H}-pyridine-3-carboxamide","2018-03-21"],["PXO","(1Z)-propanal oxime","C3 H7 N O","N(/O)=C/CC;CCC=NO;CCC=NO","InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3-","(Z)-propionaldoxime","2009-03-31","2021-03-01","(1Z)-propanal oxime",""],["8WP","2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide","C9 H7 F3 N4 O2","NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F;NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F;c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N","InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)","","2021-10-01","2022-02-04","2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide","2022-02-09"],["PXP","PYRIDOXINE-5'-PHOSPHATE","C8 H12 N O6 P","O=P(O)(O)OCc1cnc(c(O)c1CO)C;Cc1ncc(CO[P](O)(O)=O)c(CO)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CO)O","InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)","","2000-12-12","2024-09-27","[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate",""],["8WQ","(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid","C7 H9 N O6","O[CH]1CN[CH]([CH]1C(=O)C(O)=O)C(O)=O;C1C(C(C(N1)C(=O)O)C(=O)C(=O)O)O","InChI=1S/C7H9NO6/c9-2-1-8-4(6(11)12)3(2)5(10)7(13)14/h2-4,8-9H,1H2,(H,11,12)(H,13,14)/t2-,3-,4-/m0/s1","","2017-03-17","2017-07-21","(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid","2017-07-26"],["PXQ","3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H42 N4 O6","CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1C(C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1","","2020-05-01","2024-09-27","3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2021-01-20"],["8WR","(3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione","C26 H24 N4 O3","CC(C)(C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cccc(c3)C(=O)c4ccccc4;CC(C)(C)c1c([nH]cn1)C=C2C(=O)NC(=Cc3cccc(c3)C(=O)c4ccccc4)C(=O)N2","InChI=1S/C26H24N4O3/c1-26(2,3)23-19(27-15-28-23)14-21-25(33)29-20(24(32)30-21)13-16-8-7-11-18(12-16)22(31)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,27,28)(H,29,33)(H,30,32)/b20-13-,21-14-","","2017-10-19","2017-11-10","(3~{Z},6~{Z})-3-[(4-~{tert}-butyl-1~{H}-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione","2017-11-15"],["PXR","N-methyl-1-[4-[(2-phenylmethoxycyclohexa-1,3-dien-1-yl)methoxy]cyclohexa-1,3-dien-1-yl]methanamine","C22 H27 N O2","CNCC1=CC=C(CC1)OCC2=C(OCc3ccccc3)C=CCC2;CNCC1=CC=C(CC1)OCC2=C(C=CCC2)OCc3ccccc3","InChI=1S/C22H27NO2/c1-23-15-18-11-13-21(14-12-18)24-17-20-9-5-6-10-22(20)25-16-19-7-3-2-4-8-19/h2-4,6-8,10-11,13,23H,5,9,12,14-17H2,1H3","","2023-03-08","2023-08-25","~{N}-methyl-1-[4-[(2-phenylmethoxycyclohexa-1,3-dien-1-yl)methoxy]cyclohexa-1,3-dien-1-yl]methanamine","2023-08-30"],["8WS","(2S)-2,6-diacetamido-N-methyl-hexanamide","C11 H21 N3 O3","CNC(=O)[CH](CCCCNC(C)=O)NC(C)=O;CC(=O)NCCCCC(C(=O)NC)NC(=O)C","InChI=1S/C11H21N3O3/c1-8(15)13-7-5-4-6-10(11(17)12-3)14-9(2)16/h10H,4-7H2,1-3H3,(H,12,17)(H,13,15)(H,14,16)/t10-/m0/s1","","2015-06-22","2015-07-17","(2S)-2,6-diacetamido-N-methyl-hexanamide","2015-07-22"],["PXS","(2S)-propane-1,2-diyl dihexadecanoate","C35 H68 O4","O=C(OC(C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1","","2009-09-25","2024-09-27","(2S)-propane-1,2-diyl dihexadecanoate",""],["8WT","8-methylsulfanyl-7~{H}-purin-6-amine","C6 H7 N5 S","CSc1[nH]c2c(N)ncnc2n1;CSc1[nH]c2c(ncnc2n1)N","InChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)","","2017-03-20","2017-09-29","8-methylsulfanyl-7~{H}-purin-6-amine","2017-10-04"],["PXT","PECTENOTOXIN-2","C47 H68 O14","O=C6OC2C(OC(C1(O)OCCC(=C1O)C)C2)C=CC(=CC(C)CC3(OC(CC3)C49OC(CC(O4)C5OC(C)(CC5=O)C(O)C8OC7(OC(C6C)CCC7)CC8)(C)CC9)C)C;C[CH]1C[C]2(C)CC[CH](O2)[C]34CC[C](C)(C[CH](O3)[CH]5O[C](C)(CC5=O)[CH](O)[CH]6CC[C]7(CCC[CH](O7)[CH](C)C(=O)O[CH]8C[CH](O[CH]8C=CC(=C1)C)[C]9(O)OCCC(=C9O)C)O6)O4;CC1CC2(CCC(O2)C34CCC(O3)(CC(O4)C5C(=O)CC(O5)(C(C6CCC7(O6)CCCC(O7)C(C(=O)OC8CC(OC8C=CC(=C1)C)C9(C(=C(CCO9)C)O)O)C)O)C)C)C","InChI=1S/C47H68O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27,29,31-38,40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,29+,31-,32+,33-,34+,35+,36+,37-,38-,40-,42+,43-,44+,45+,46-,47+/m0/s1","","2007-06-19","2011-06-04","(1S,2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2R)-2,3-dihydroxy-4-methyl-5,6-dihydro-2H-pyran-2-yl]-28-hydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1~1,35~.1~2,5~.1~20,24~.1~24,27~.1~29,32~.0~12,16~]tritetraconta-8,10-diene-18,31-dione (non-preferred name)",""],["8WU","(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one","C22 H22 O5","COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1O;CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(c(c3)O)OC)OC)C","InChI=1S/C22H22O5/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)17(23)8-5-14-6-9-20(26-4)18(24)13-14/h5-13,24H,1-4H3/b8-5+","","2017-10-19","2018-04-13","(~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one","2018-04-18"],["PXU","2-hydroxy-L-proline","C5 H9 N O3","O=C(O)C1(O)NCCC1;OC(=O)[C]1(O)CCCN1;C1CC(NC1)(C(=O)O)O","InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1","","2012-10-03","2024-09-27","2-hydroxy-L-proline","2012-10-05"],["8WV","dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium","C10 H10 Cl2 Os","CC(C6=5C=1[Os]4326(Cl)(C=1C2(C)=C3C4=5)Cl)C;CC(C)C1=CC=C(C)C=C1.Cl[Os]Cl;CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl","InChI=1S/C10H10.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;;;/h8H,1-3H3;2*1H;/q;;;+2/p-2","","2017-03-14","2017-03-28","dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium","2017-04-02"],["8WW","6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine","C13 H13 N5 S","Nc1nc(SCCc2ccccc2)c3[nH]cnc3n1;c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N","InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)","","2017-03-21","2017-09-29","6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine","2017-10-04"],["PXV","N-(8-hydroxyoctyl)-4-methoxybenzamide","C16 H25 N O3","C(CO)CCCCCCNC(c1ccc(cc1)OC)=O;COc1ccc(cc1)C(=O)NCCCCCCCCO;COc1ccc(cc1)C(=O)NCCCCCCCCO","InChI=1S/C16H25NO3/c1-20-15-10-8-14(9-11-15)16(19)17-12-6-4-2-3-5-7-13-18/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)","","2019-08-28","2022-11-04","N-(8-hydroxyoctyl)-4-methoxybenzamide","2022-11-09"],["PXW","(1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium","C24 H24 Cl N4 O S","S/C(N)=[N+]1C2CC(NC(=O)c3ccc(cc3Cl)c3cccc(c3)C3(C#N)CC3)C1CC2;NC(S)=[N+]1[CH]2CC[CH]1[CH](C2)NC(=O)c3ccc(cc3Cl)c4cccc(c4)C5(CC5)C#N;c1cc(cc(c1)C2(CC2)C#N)c3ccc(c(c3)Cl)C(=O)NC4CC5CCC4[N+]5=C(N)S","InChI=1S/C24H23ClN4OS/c25-19-11-15(14-2-1-3-16(10-14)24(13-26)8-9-24)4-6-18(19)22(30)28-20-12-17-5-7-21(20)29(17)23(27)31/h1-4,6,10-11,17,20-21H,5,7-9,12H2,(H3,27,28,30,31)/p+1/t17-,20+,21+/m0/s1","","2022-05-31","2024-09-27","(1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium","2023-02-01"],["8WX","2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile","C17 H15 N3 O","Cc1nc2n(cccc2OCc3ccccc3)c1CC#N;Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N","InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3","","2017-10-20","2018-04-06","2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile","2018-04-11"],["PXX","N-1,10-phenanthrolin-5-ylacetamide","C14 H11 N3 O","O=C(Nc2cc1cccnc1c3ncccc23)C;CC(=O)Nc1cc2cccnc2c3ncccc13;CC(=O)Nc1cc2cccnc2c3c1cccn3","InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)","","2009-01-05","2011-06-04","N-1,10-phenanthrolin-5-ylacetamide",""],["8WY","5,5-dihydroxy-L-norleucine","C6 H13 N O4","O=C(O)C(N)CCC(O)(O)C;CC(O)(O)CC[CH](N)C(O)=O;CC(CCC(C(=O)O)N)(O)O","InChI=1S/C6H13NO4/c1-6(10,11)3-2-4(7)5(8)9/h4,10-11H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1","","2017-03-15","2024-09-27","5,5-dihydroxy-L-norleucine","2017-04-19"],["PXY","PARA-XYLENE","C8 H10","c1cc(ccc1C)C;Cc1ccc(C)cc1;Cc1ccc(cc1)C","InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3","","1999-07-08","2024-09-27","1,4-dimethylbenzene",""],["8WZ","7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine","C12 H10 N2 O2","Cc1cc2nc(N)oc2c(c1)c3occc3;Cc1cc(c2c(c1)nc(o2)N)c3ccco3","InChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14)","","2017-03-21","2017-09-29","7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine","2017-10-04"],["PXZ","2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE","C16 H12 N2 O6","O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C;Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12;Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O","InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)","PHENOXAZINE","1999-07-08","2024-09-27","2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde",""],["8X0","(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","C22 H22 O4","COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1;CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(cc3)OC)OC)C","InChI=1S/C22H22O4/c1-22(2)14-13-18-20(25-4)12-10-17(21(18)26-22)19(23)11-7-15-5-8-16(24-3)9-6-15/h5-14H,1-4H3/b11-7+","","2017-10-25","2018-04-06","(~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","2018-04-11"],["PY0","(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate","C3 H8 N O3","[O-]C(O)(N)C(O)C;C[CH](O)[C](N)(O)[O-];CC(C(N)(O)[O-])O","InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1","","2009-01-21","2024-09-27","(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate",""],["8X1","5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine","C14 H19 N7 O7 S","O=S(=O)(NC(C1CCN1)=O)OCC2C(C(O)C(O2)n3cnc4c3ncnc4N)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)[CH]4CCN4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C4CCN4)O)O)N","InChI=1S/C14H19N7O7S/c15-11-8-12(18-4-17-11)21(5-19-8)14-10(23)9(22)7(28-14)3-27-29(25,26)20-13(24)6-1-2-16-6/h4-7,9-10,14,16,22-23H,1-3H2,(H,20,24)(H2,15,17,18)/t6-,7+,9+,10+,14+/m0/s1","","2017-03-15","2018-01-05","5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine","2018-01-10"],["PY1","4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE","C17 H12 N4","n3ccc(c1c(nnc1)c2ncccc2)c4ccccc34;[nH]1cc(c2ccnc3ccccc23)c(n1)c4ccccn4;c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4","InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)","","2003-07-21","2011-06-04","4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline",""],["8X2","2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one","C22 H25 N7 O","CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4[nH]c5CCNC(=O)c5c4)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O","InChI=1S/C22H25N7O/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)25-22-24-9-7-19(27-22)20-14-17-18(26-20)6-8-23-21(17)30/h2-5,7,9,14,26H,6,8,10-13H2,1H3,(H,23,30)(H,24,25,27)","","2017-03-21","2017-04-14","2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PY2","3-(MERCAPTOMETHYLENE)PYRIDINE","C6 H7 N S","SCc1cccnc1;SCc1cccnc1;c1cc(cnc1)CS","InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2","","1999-07-08","2011-08-06","pyridin-3-ylmethanethiol",""],["8X3","2-hydroxyethylsulfonic acid","C2 H6 O4 S","OCC[S](O)(=O)=O;C(CS(=O)(=O)O)O","InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)","2-oxidanylethanesulfonic acid","2017-10-30","2021-03-01","2-oxidanylethanesulfonic acid","2019-02-13"],["8X5","2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","C23 H25 N5 O2","O=C1N(CCc2[nH]c(cc12)c3ccnc(NC4CCOCC4)n3)Cc5ccccc5;c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O","InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27)","","2017-03-21","2017-04-14","2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PY3","5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE","C34 H40 N10 O4","O=C(Nc1ccncc1)c2cc(C(=[N@H])N)ccc2CNC(=O)CN3C(=CN=C(NC(C)C)C3=O)c4cc(N)cc(C(=O)NC(C)CC)c4;CC[CH](C)NC(=O)c1cc(N)cc(c1)C2=CN=C(NC(C)C)C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(N)=N;CCC(C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C","InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1","","2005-03-25","2011-06-04","2-[({[6-(3-amino-5-{[(1R)-1-methylpropyl]carbamoyl}phenyl)-3-[(1-methylethyl)amino]-2-oxopyrazin-1(2H)-yl]acetyl}amino)methyl]-5-carbamimidoyl-N-pyridin-4-ylbenzamide",""],["PY4","2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID","C12 H19 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC;CC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C12H19N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h4,10,14-15H,3,5-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m1/s1","VITAMIN B6 COMPLEXED WITH 2-AMINO-BUTYRIC ACID","1999-08-18","2024-09-27","(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid",""],["8X6","4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide","C14 H16 N4 O S","NC(=O)N1CCN(CC1)c2scc(n2)c3ccccc3;c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N","InChI=1S/C14H16N4OS/c15-13(19)17-6-8-18(9-7-17)14-16-12(10-20-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,15,19)","","2021-11-08","2022-08-22","4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide","2022-02-02"],["PY5","2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID","C13 H21 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC;CCC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1","VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID","1999-08-18","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norvaline",""],["8X7","1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C27 H32 N8 O2","CN5CCN(c1ccc(cc1)Nc2nc3c(cn2)C(=O)N(CC=C)N3c4nc(C(C)(C)O)ccc4)CC5;CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2;CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O","InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)","","2017-03-17","2017-08-18","1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2017-08-23"],["PY6","2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID","C14 H23 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC;CCCC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCCCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m0/s1","VITAMIN B6 COMPLEXED WITH 2-AMINO-HEXANOIC ACID","1999-08-18","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norleucine",""],["8X8","~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate","C20 H29 N3 O5","CC(C)(C)OC(=O)N[CH](C[CH]1CCNC1=O)[CH](O)C(=O)NCc2ccccc2;CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(C(=O)NCc2ccccc2)O","InChI=1S/C20H29N3O5/c1-20(2,3)28-19(27)23-15(11-14-9-10-21-17(14)25)16(24)18(26)22-12-13-7-5-4-6-8-13/h4-8,14-16,24H,9-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16+/m0/s1","","2017-03-21","2024-09-27","~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate","2018-05-16"],["PY7","PYRIDIN-4-YLMETHANOL","C6 H7 N O","OCc1ccncc1;OCc1ccncc1;c1cnccc1CO","InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2","4-PYRIDYLCARBINOL","2005-11-08","2020-06-17","pyridin-4-ylmethanol",""],["8X9","2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid","C12 H19 N O2","CCC1=C[CH]2[CH](C1)C[C]2(CN)CC(O)=O;CCC1=CC2C(C1)CC2(CC(=O)O)CN","InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1","Mirogabalin","2021-12-28","2023-03-31","2-[(1~{R},5~{S},6~{S})-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanoic acid","2023-04-05"],["PY8","6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE","C13 H14 Br N5 O2 S","Brc1c3nc(nc1)Nc2cccc(c2)S(=O)(=O)NCCCN3;Brc1cnc2Nc3cccc(c3)[S](=O)(=O)NCCCNc1n2;c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br","InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)","1(5)-BROMO-4-THIA-2,5,9-TRIAZA-1(2,4)-PYRIMIDINA-3(1,3)-BENZENACYLCLANONAPHANE-4,4-DIOXIDE","2006-11-13","2021-03-13","6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide",""],["8XA","9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine","C10 H14 N5 O7 P","P(OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(O)(O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6+,7-,10-/m1/s1","","2015-07-16","2015-07-24","9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine","2015-07-29"],["PY9","4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol","C18 H19 N O3","O=C(c1ccc(O)cc1O)N3CCCC3c2c(cccc2)C;Cc1ccccc1[CH]2CCCN2C(=O)c3ccc(O)cc3O;Cc1ccccc1C2CCCN2C(=O)c3ccc(cc3O)O","InChI=1S/C18H19NO3/c1-12-5-2-3-6-14(12)16-7-4-10-19(16)18(22)15-9-8-13(20)11-17(15)21/h2-3,5-6,8-9,11,16,20-21H,4,7,10H2,1H3/t16-/m1/s1","","2008-09-26","2011-06-04","4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol",""],["8XB","(6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","C20 H25 N7 O2","COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C;Cc1cnc(nc1c2cc3c([nH]2)CC(N(C3=O)CCOC)C)Nc4ccnn4C","InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1","","2017-03-21","2017-04-14","(6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PYA","3-(1,10-PHENANTHROL-2-YL)-L-ALANINE","C15 H13 N3 O2","O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3;N[CH](Cc1ccc2ccc3cccnc3c2n1)C(O)=O;c1cc2ccc3ccc(nc3c2nc1)CC(C(=O)O)N","InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1","","1999-07-08","2024-09-27","3-(1,10-phenanthrolin-2-yl)-L-alanine",""],["8XC","4-amino-1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidin-2(1H)-one","C9 H14 N3 O8 P","P(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)(O)(O)=O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1","","2015-07-16","2015-07-24","4-amino-1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidin-2(1H)-one","2015-07-29"],["PYB","4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID","C6 H8 N2 O2","O=C(O)c1cc(N)cn1C;Cn1cc(N)cc1C(O)=O;Cn1cc(cc1C(=O)O)N","InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)","","2002-08-08","2011-06-04","4-amino-1-methyl-1H-pyrrole-2-carboxylic acid",""],["8XE","5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","C18 H21 N7 O2","COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3;Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC","InChI=1S/C18H21N7O2/c1-24-16(4-7-20-24)23-18-19-6-3-14(22-18)15-11-12-13(21-15)5-8-25(17(12)26)9-10-27-2/h3-4,6-7,11,21H,5,8-10H2,1-2H3,(H,19,22,23)","","2017-03-21","2017-04-14","5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PYC","PYRROLE-2-CARBOXYLATE","C5 H4 N O2","[O-]C(=O)c1cccn1;[O-]C(=O)c1[nH]ccc1;c1cc([nH]c1)C(=O)[O-]","InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1","","2000-03-27","2011-06-04","1H-pyrrole-2-carboxylate",""],["8XF","6-(trifluoromethyl)pyrimidin-4-amine","C5 H4 F3 N3","Nc1cc(ncn1)C(F)(F)F;Nc1cc(ncn1)C(F)(F)F;c1c(ncnc1N)C(F)(F)F","InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)","","2021-10-01","2022-02-04","6-(trifluoromethyl)pyrimidin-4-amine","2022-02-09"],["8XG","2-amino-9-(5-O-phosphono-beta-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one","C10 H14 N5 O8 P","P(=O)(O)(O)OCC3OC(n1cnc2c1N=C(NC2=O)N)C(C3O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6-,9-/m1/s1","","2015-07-16","2015-07-24","2-amino-9-(5-O-phosphono-beta-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one","2015-07-29"],["PYD","2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE","C6 H9 N3","n1c(N)c(cnc1C)C;Cc1ncc(C)c(N)n1;Cc1cnc(nc1N)C","InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)","","1999-09-13","2024-09-27","2,5-dimethylpyrimidin-4-amine",""],["PYE","TETRAHYDROPYRAN","C5 H10 O","O1CCCCC1;C1CCOCC1;C1CCOCC1","InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2","","2002-02-07","2011-06-04","tetrahydro-2H-pyran",""],["8XH","5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","C19 H25 N5 O3","COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(NC4CCOCC4)n3;COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O","InChI=1S/C19H25N5O3/c1-26-11-8-24-7-3-15-14(18(24)25)12-17(22-15)16-2-6-20-19(23-16)21-13-4-9-27-10-5-13/h2,6,12-13,22H,3-5,7-11H2,1H3,(H,20,21,23)","","2017-03-21","2017-04-14","5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PYF","3-PYRIDINYLCARBINOL","C6 H7 N O","OCc1cccnc1;OCc1cccnc1;c1cc(cnc1)CO","InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2","PYRIDIN-3-YLMETHANOL","2003-09-29","2020-06-17","pyridin-3-ylmethanol",""],["8XI","Cefaclor","C15 H14 Cl N3 O4 S","N[CH](C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3;c1ccc(cc1)C(C(=O)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)O)N","InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1","(6R,7R)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2021-11-08","2023-05-12","(6~{R},7~{R})-7-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2023-05-17"],["PYG","BENZENE-1,2,3-TRIOL","C6 H6 O3","Oc1cccc(O)c1O;Oc1cccc(O)c1O;c1cc(c(c(c1)O)O)O","InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H","PYROGALLOL","2004-07-27","2021-03-01","benzene-1,2,3-triol",""],["8XJ","4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide","C31 H24 F2 N4 O3","c1cc(cc(c1C)c2c(F)c4c(cc2)oc(c3ccc(F)cc3)c4C(NC)=O)C(=O)NC6(c5ncccn5)CC6;CNC(=O)c1c(oc2ccc(c(F)c12)c3cc(ccc3C)C(=O)NC4(CC4)c5ncccn5)c6ccc(F)cc6;Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6","InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)","","2017-03-17","2017-05-05","4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide","2017-05-10"],["PYH","N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-2H-PYRROL-2-YL]CARBONYL}-L-LYSINE","C12 H21 N3 O3","O=C(NCCCCC(C(=O)O)N)C1N=CCC1C;C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O;CC1CC=NC1C(=O)NCCCCC(C(=O)O)N","InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1","PYRROLYSINE","2006-08-30","2014-05-06","N~6~-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine",""],["8XK","5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one","C19 H23 N7 O2","COCCN1CCc2n(C)c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3;Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC","InChI=1S/C19H23N7O2/c1-24-15-6-9-26(10-11-28-3)18(27)13(15)12-16(24)14-4-7-20-19(22-14)23-17-5-8-21-25(17)2/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,22,23)","","2017-03-22","2017-04-14","5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PYI","1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM","C14 H21 N4 O7 P2","O=P(O)(O)OP(=O)(O)OCCc1ccc[n+](c1C)Cc2cnc(nc2N)C;Cc1ncc(C[n+]2cccc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1;Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1","PYRITHIAMIN PYROPHOSPHATE","2005-11-17","2021-03-01","1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium",""],["8XL","3-[(Z)-2-isocyanoethenyl]-1H-indole","C11 H8 N2","c2ccc1c([C@H]=[C@H][N+]#[C-])cnc1c2;[C-]#[N+]C=Cc1c[nH]c2ccccc12;[C-]#[N+]C=Cc1c[nH]c2c1cccc2","InChI=1S/C11H8N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H/b7-6-","","2017-11-01","2018-06-01","3-[(Z)-2-isocyanoethenyl]-1H-indole","2018-06-06"],["8XM","2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide","C29 H24 F N5 O4 S","c1(cccc(c1)C(NC(C)(C(Nc2nncs2)=O)C)=O)c3cc5c(cc3)oc(c4ccc(cc4)F)c5C(NC)=O;CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(=O)NC(C)(C)C(=O)Nc4scnn4)c5ccc(F)cc5;CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC","InChI=1S/C29H24FN5O4S/c1-29(2,27(38)33-28-35-32-15-40-28)34-25(36)19-6-4-5-17(13-19)18-9-12-22-21(14-18)23(26(37)31-3)24(39-22)16-7-10-20(30)11-8-16/h4-15H,1-3H3,(H,31,37)(H,34,36)(H,33,35,38)","","2017-03-17","2017-05-05","2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide","2017-05-10"],["PYJ","PHENYLETHANE","C8 H10","c1ccccc1CC;CCc1ccccc1;CCc1ccccc1","InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3","","2013-12-19","2024-09-27","ethylbenzene","2013-12-25"],["PYL","PYRROLYSINE","C12 H21 N3 O3","O=C(NCCCCC(C(=O)O)N)C1N=CCC1C;C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O;CC1CC=NC1C(=O)NCCCCC(C(=O)O)N","InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1","","1999-07-08","2024-02-07","N~6~-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine",""],["8XN","(6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","C20 H25 N7 O2","COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C;Cc1cnc(nc1c2cc3c([nH]2)CC(N(C3=O)CCOC)C)Nc4ccnn4C","InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1","","2017-03-22","2017-04-14","(6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one","2017-04-19"],["PYM","PYRUVAMIDE","C3 H5 N O2","O=C(C(=O)N)C;CC(=O)C(N)=O;CC(=O)C(=O)N","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","","1999-11-29","2011-06-04","2-oxopropanamide",""],["8XO","2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid","C18 H30 N4 O3","OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCN=[N+]=[N-];C(CCCCCCN=[N+]=[N-])CCCCCC=CC(=O)C=NCC(=O)O","InChI=1S/C18H30N4O3/c19-22-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17(23)15-20-16-18(24)25/h11,13,15H,1-10,12,14,16H2,(H,24,25)/b13-11+,20-15+","","2017-11-02","2024-09-27","2-[(~{E})-[(~{E})-16-azido-2-oxidanylidene-hexadec-3-enylidene]amino]ethanoic acid","2017-11-22"],["PYN","3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE","C27 H33 N5 O2","O=C(Nc4cc3nc2cc(NC(=O)CCN1CCCC1)ccc2cc3cc4)CCN5CCCC5;O=C(CCN1CCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC5)cc4nc3c2;c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5","InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)","","2002-02-27","2011-06-04","N,N'-acridine-3,6-diylbis(3-pyrrolidin-1-ylpropanamide)",""],["8XP","5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide","C27 H25 F N2 O3","c1(cccc(C(NC(C)(C)C)=O)c1)c2cc4c(cc2)oc(c3ccc(cc3)F)c4C(NC)=O;CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(=O)NC(C)(C)C)c4ccc(F)cc4;CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC","InChI=1S/C27H25FN2O3/c1-27(2,3)30-25(31)19-7-5-6-17(14-19)18-10-13-22-21(15-18)23(26(32)29-4)24(33-22)16-8-11-20(28)12-9-16/h5-15H,1-4H3,(H,29,32)(H,30,31)","","2017-03-17","2017-05-05","5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide","2017-05-10"],["PYO","1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2-ONE-5'-PHOSPHATE","C9 H13 N2 O8 P","O=C1N=CC=CN1C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC=NC2=O;C1=CN(C(=O)N=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O8P/c12-6-5(4-18-20(15,16)17)19-8(7(6)13)11-3-1-2-10-9(11)14/h1-3,5-8,12-13H,4H2,(H2,15,16,17)/t5-,6-,7-,8-/m1/s1","","2000-09-13","2011-06-04","1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-2(1H)-one",""],["8XQ","8-hydroxyquinoline-5-carboxylic acid","C10 H7 N O3","O=C(O)c1ccc(O)c2ncccc12;OC(=O)c1ccc(O)c2ncccc12;c1cc2c(ccc(c2nc1)O)C(=O)O","InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)","","2010-07-05","2011-06-04","8-hydroxyquinoline-5-carboxylic acid",""],["PYP","2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE","C21 H19 O6 P","O=P(OCC5OC(c4c1c3c2c(cc1)cccc2ccc3cc4)CC5O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc3ccc4cccc5ccc2c3c45;c1cc2ccc3ccc(c4c3c2c(c1)cc4)C5CC(C(O5)COP(=O)(O)O)O","InChI=1S/C21H19O6P/c22-17-10-18(27-19(17)11-26-28(23,24)25)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)21(14)20(12)13/h1-9,17-19,22H,10-11H2,(H2,23,24,25)/t17-,18+,19+/m0/s1","","2000-10-04","2011-06-04","(1R)-1,4-anhydro-2-deoxy-5-O-phosphono-1-pyren-1-yl-D-erythro-pentitol",""],["8XR","(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide","C24 H29 N3 O2","C[CH]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C;Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CCCC4","InChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)/t17-/m1/s1","","2017-11-06","2018-11-02","(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide","2018-11-07"],["PYQ","PYROQUILON","C11 H11 N O","O=C3N2c1c(cccc1CC2)CC3;O=C1CCc2cccc3CCN1c23;c1cc2c3c(c1)CCN3C(=O)CC2","InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2","1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE","2000-10-25","2021-03-13","1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one",""],["8XS","3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid","C23 H16 F N O4","c1c(C(O)=O)cccc1c4ccc2c(c(c(o2)c3ccc(cc3)F)C(=O)NC)c4;CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(O)=O)c4ccc(F)cc4;CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O","InChI=1S/C23H16FNO4/c1-25-22(26)20-18-12-15(14-3-2-4-16(11-14)23(27)28)7-10-19(18)29-21(20)13-5-8-17(24)9-6-13/h2-12H,1H3,(H,25,26)(H,27,28)","","2017-03-17","2017-05-05","3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid","2017-05-10"],["PYR","PYRUVIC ACID","C3 H4 O3","O=C(C(=O)O)C;CC(=O)C(O)=O;CC(=O)C(=O)O","InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)","","1999-07-08","2025-06-27","2-oxopropanoic acid",""],["8XT","~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide","C15 H20 N4 O2","CCNC(=O)c1[nH]c2nccc(N3CCOC[CH]3C)c2c1;CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOCC3C","InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1","","2017-03-22","2017-07-14","~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide","2017-07-19"],["PYS","2-PYRIDINETHIOL","C5 H5 N S","Sc1ncccc1;Sc1ccccn1;c1ccnc(c1)S","InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)","","1999-07-08","2024-09-27","pyridine-2-thiol",""],["8XU","1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione","C9 H13 N2 O9 P","P(=O)(O)(O)OCC2OC(N1C=CC(NC1=O)=O)C(C2O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1","","2015-07-16","2015-07-24","1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione","2015-07-29"],["PYT","2-AMINOPROP-2-ENAMIDE","C3 H6 N2 O","O=C(C(=C)N)N;NC(=C)C(N)=O;C=C(C(=O)N)N","InChI=1S/C3H6N2O/c1-2(4)3(5)6/h1,4H2,(H2,5,6)","","2000-11-02","2011-06-04","2-aminoprop-2-enamide",""],["8XV","2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide","C23 H21 F N4 O6 S","c15c(C(O)=C(C(=O)N1CCC2CC2)C4=NS(c3cc(ccc3N4)OCC(=O)N)(=O)=O)cc(cc5)F;NC(=O)COc1ccc2NC(=N[S](=O)(=O)c2c1)C3=C(O)c4cc(F)ccc4N(CCC5CC5)C3=O;c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O","InChI=1S/C23H21FN4O6S/c24-13-3-6-17-15(9-13)21(30)20(23(31)28(17)8-7-12-1-2-12)22-26-16-5-4-14(34-11-19(25)29)10-18(16)35(32,33)27-22/h3-6,9-10,12,30H,1-2,7-8,11H2,(H2,25,29)(H,26,27)","","2017-03-17","2017-05-05","2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide","2017-05-10"],["PYU","2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol","C11 H9 N O4","O=C(c1c(O)cc(O)cc1O)n2cccc2;Oc1cc(O)c(c(O)c1)C(=O)n2cccc2;c1ccn(c1)C(=O)c2c(cc(cc2O)O)O","InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H","","2008-09-26","2011-06-04","2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol",""],["8XW","[(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid","C14 H21 O4 P S","CC(=O)SC[CH](CCCCc1ccccc1)[P](O)(O)=O;CC(=O)SCC(CCCCc1ccccc1)P(=O)(O)O","InChI=1S/C14H21O4PS/c1-12(15)20-11-14(19(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H2,16,17,18)/t14-/m1/s1","","2017-03-22","2017-04-21","[(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid","2017-04-26"],["PYV","4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide","C16 H13 Br N2 O2 S","Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3;Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3;c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3","InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2","Pyrabactin","2010-06-09","2020-06-17","4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide",""],["8XX","(3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide","C22 H25 N3 O2","C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4;Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4","InChI=1S/C22H25N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1","","2017-11-06","2018-11-02","(3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide","2018-11-07"],["PYW","Pyridomycin","C27 H32 N4 O8","O=C1OC(C(C(=O)NC(C(O)C(C(=O)O/C1=C(/C)CC)C)Cc2cccnc2)NC(=O)c3ncccc3O)C;CCC(C)=C1OC(=O)[CH](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3ncccc3O)[CH](C)OC1=O;CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)C","InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/b23-14-/t15-,16-,18+,20+,22+/m1/s1","","2013-03-26","2014-04-29","N-[(2Z,5R,6S,9S,10S,11R)-2-(butan-2-ylidene)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]-3-hydroxypyridine-2-carboxamide","2013-12-04"],["8XY","6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide","C17 H11 Br N2 O S","c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4;Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34;c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br","InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)","","2017-03-18","2020-03-27","6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide","2020-04-01"],["PYX","S-[S-THIOPYRIDOXAMINYL]CYSTEINE","C11 H17 N3 O3 S2","O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C;Cc1ncc(CSSC[CH](N)C(O)=O)c(CN)c1O;Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O","InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1","","1999-07-08","2024-09-27","3-({[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl}disulfanyl)-L-alanine",""],["8XZ","[(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid","C13 H19 O4 P S","CC(=O)SC[CH](CCCc1ccccc1)[P](O)(O)=O;CC(=O)SCC(CCCc1ccccc1)P(=O)(O)O","InChI=1S/C13H19O4PS/c1-11(14)19-10-13(18(15,16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H2,15,16,17)/t13-/m1/s1","","2017-03-22","2017-04-21","[(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid","2017-04-26"],["PYY","D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE","C11 H15 O7 P","O=P(OCC2OC(c1ccccc1)C(O)C2O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccccc2;c1ccc(cc1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H15O7P/c12-9-8(6-17-19(14,15)16)18-11(10(9)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1","","2000-10-27","2011-06-04","(1S)-1,4-anhydro-1-phenyl-5-O-phosphono-D-ribitol",""],["8Y0","(E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine","C41 H51 F3 N6 O5","OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCCCCNC(=O)C(F)(F)F;c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCCC=CC(=O)C=NCC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F","InChI=1S/C41H51F3N6O5/c42-41(43,44)40(55)46-26-18-11-13-25-36(52)49-30-31-20-14-15-22-33(31)39-38(34-23-16-17-24-35(34)49)47-48-50(39)27-19-10-8-6-4-2-1-3-5-7-9-12-21-32(51)28-45-29-37(53)54/h12,14-17,20-24,28H,1-11,13,18-19,25-27,29-30H2,(H,46,55)(H,53,54)/b21-12+,45-28+","","2017-11-06","2024-09-27","","2017-11-22"],["PYZ","4-IODOPYRAZOLE","C3 H3 I N2","Ic1cnnc1;Ic1c[nH]nc1;c1c(cn[nH]1)I","InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)","","1999-07-08","2011-06-04","4-iodo-1H-pyrazole",""],["8Y1","6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one","C20 H19 N3 O S","NCC(c1ccccc1)N3CCc2c(csc2C3=O)c4cnccc4;NC[CH](N1CCc2c(scc2c3cccnc3)C1=O)c4ccccc4;c1ccc(cc1)C(CN)N2CCc3c(csc3C2=O)c4cccnc4","InChI=1S/C20H19N3OS/c21-11-18(14-5-2-1-3-6-14)23-10-8-16-17(13-25-19(16)20(23)24)15-7-4-9-22-12-15/h1-7,9,12-13,18H,8,10-11,21H2/t18-/m0/s1","","2017-03-18","2020-08-14","6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one","2020-08-19"],["8Y2","2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide","C26 H24 N2 O4 S2","CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cccnc3OCc4ccccc4)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4","InChI=1S/C26H24N2O4S2/c1-2-34(30,31)22-12-10-19(11-13-22)15-24(29)28-25-16-21(18-33-25)23-9-6-14-27-26(23)32-17-20-7-4-3-5-8-20/h3-14,16,18H,2,15,17H2,1H3,(H,28,29)","","2017-03-23","2018-08-17","2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide","2018-08-22"],["PZ0","1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine","C22 H22 Cl N O2","CNCc1ccc(OCc2cc(Cl)ccc2OCc3ccccc3)cc1;CNCc1ccc(cc1)OCc2cc(ccc2OCc3ccccc3)Cl","InChI=1S/C22H22ClNO2/c1-24-14-17-7-10-21(11-8-17)25-16-19-13-20(23)9-12-22(19)26-15-18-5-3-2-4-6-18/h2-13,24H,14-16H2,1H3","","2023-03-08","2023-08-25","1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-~{N}-methyl-methanamine","2023-08-30"],["8Y4","2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide","C14 H14 N6 O2 S","c1ccc(cc1)NC(=O)CSc3nc2C(=O)NC(=Nc2n3C)N;Cn1c(SCC(=O)Nc2ccccc2)nc3C(=O)NC(=Nc13)N;Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N","InChI=1S/C14H14N6O2S/c1-20-11-10(12(22)19-13(15)18-11)17-14(20)23-7-9(21)16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H3,15,18,19,22)","","2017-03-20","2017-12-01","2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide","2017-12-06"],["PZ1","(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE","C34 H41 N3 O6","O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COC=4C=CC3=CC=CN(CCCO)C3C=4)CNC5;COc1ccccc1COCCCOc2ccc(cc2)N3[CH](CNCC3=O)COC4=C[CH]5N(CCCO)C=CC=C5C=C4;COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4","InChI=1S/C34H41N3O6/c1-40-33-9-3-2-7-27(33)24-41-19-6-20-42-30-14-11-28(12-15-30)37-29(22-35-23-34(37)39)25-43-31-13-10-26-8-4-16-36(17-5-18-38)32(26)21-31/h2-4,7-16,21,29,32,35,38H,5-6,17-20,22-25H2,1H3/t29-,32?/m1/s1","","2005-02-18","2011-06-04","(6R)-6-({[(8aR)-1-(3-hydroxypropyl)-1,8a-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one",""],["PZ2","3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile","C20 H14 Br N5 O","N#Cc4cc(Oc1ccc(cc1Br)Cc3nnc2nnccc23)cc(c4)C;Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N;Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N","InChI=1S/C20H14BrN5O/c1-12-6-14(11-22)8-15(7-12)27-19-3-2-13(9-17(19)21)10-18-16-4-5-23-25-20(16)26-24-18/h2-9H,10H2,1H3,(H,24,25,26)","","2008-08-01","2011-06-04","3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile",""],["8Y5","~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","C27 H23 N3 O4 S2","CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cccnc3OCc4cccc(c4)C#N)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N","InChI=1S/C27H23N3O4S2/c1-2-36(32,33)23-10-8-19(9-11-23)14-25(31)30-26-15-22(18-35-26)24-7-4-12-29-27(24)34-17-21-6-3-5-20(13-21)16-28/h3-13,15,18H,2,14,17H2,1H3,(H,30,31)","","2017-03-23","2018-08-17","~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","2018-08-22"],["PZ3","4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate","C41 H39 N5 O7 S","O=Cc7oc(c1cc4c(cc1)N(Cc2cncn2C)CC(N(S(=O)(=O)c3ccc(OC)cc3)C4)Cc6ccc(OC(=O)NCc5ccccc5)cc6)cc7;COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[CH]2Cc4ccc(OC(=O)NCc5ccccc5)cc4)Cc6cncn6C)c7oc(C=O)cc7;Cn1cncc1CN2CC(N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7","InChI=1S/C41H39N5O7S/c1-44-28-42-23-34(44)26-45-25-33(20-29-8-11-36(12-9-29)53-41(48)43-22-30-6-4-3-5-7-30)46(54(49,50)38-16-13-35(51-2)14-17-38)24-32-21-31(10-18-39(32)45)40-19-15-37(27-47)52-40/h3-19,21,23,27-28,33H,20,22,24-26H2,1-2H3,(H,43,48)/t33-/m1/s1","","2010-12-17","2011-06-04","4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate",""],["8Y6","4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid","C25 H14 F2 N4 O5","O=C1c2cc(c(F)cc2N=CN1)Cn4c(c(c5c3occc3c(F)cc45)C6=CC=CNC6=O)C(=O)O;OC(=O)c1n(Cc2cc3C(=O)NC=Nc3cc2F)c4cc(F)c5ccoc5c4c1C6=CC=CNC6=O;c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F","InChI=1S/C25H14F2N4O5/c26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32/h1-8,10H,9H2,(H,28,32)(H,34,35)(H,29,30,33)","","2012-10-24","2014-09-05","4-fluoro-6-[(7-fluoro-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid","2013-10-09"],["PZ4","5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine","C11 H9 F N6","CNc3nc(c2cnc1c2cncn1)ncc3F;CNc1nc(ncc1F)c2c[nH]c3ncncc23;CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F","InChI=1S/C11H9FN6/c1-13-11-8(12)4-16-10(18-11)7-3-15-9-6(7)2-14-5-17-9/h2-5H,1H3,(H,13,16,18)(H,14,15,17)","","2019-08-29","2020-08-21","5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine","2020-08-26"],["8Y7","[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid","C8 H9 N5 O3 S","c21nc(n(c1N=C(NC2=O)N)C)SCC(O)=O;Cn1c(SCC(O)=O)nc2C(=O)NC(=Nc12)N;Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N","InChI=1S/C8H9N5O3S/c1-13-5-4(6(16)12-7(9)11-5)10-8(13)17-2-3(14)15/h2H2,1H3,(H,14,15)(H3,9,11,12,16)","","2017-03-20","2017-12-01","[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid","2017-12-06"],["PZ5","5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine","C26 H26 N3","Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1;C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N","InChI=1S/C26H25N3/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2/p+1","","2015-10-29","2016-01-15","5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine","2016-01-20"],["8Y8","~{N}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","C22 H20 N2 O4 S2","CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cc(ccc3OC)C#N)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N","InChI=1S/C22H20N2O4S2/c1-3-30(26,27)18-7-4-15(5-8-18)11-21(25)24-22-12-17(14-29-22)19-10-16(13-23)6-9-20(19)28-2/h4-10,12,14H,3,11H2,1-2H3,(H,24,25)","","2017-03-23","2018-08-17","~{N}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","2018-08-22"],["PZ6","(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H18 Cl N3 O2","Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21;NC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN","InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m1/s1","","2023-08-18","2023-11-03","(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["8Y9","[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy\nl dihydrogen phosphate","C9 H16 N5 O8 P","NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C(C(=O)NC2=O)NC(=N)N)COP(=O)(O)O)O","InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6-/m0/s1","(S)-Gh","2017-11-07","2021-06-04","[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-06-09"],["PZ7","[[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C28 H36 F3 N8 O14 P2","FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c3ncn3ccnc43)C(O)C2O)C(O)C1O;C[CH](N(C)C(=O)NCC(F)(F)F)c1cc[n+](cc1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c6nccn6cnc45)[CH](O)[CH]2O;CC(c1cc[n+](cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncn6c5ncc6)O)O)O)O)N(C)C(=O)NCC(F)(F)F","InChI=1S/C28H35F3N8O14P2/c1-14(36(2)27(44)33-11-28(29,30)31)15-3-6-37(7-4-15)25-21(42)19(40)16(51-25)9-49-54(45,46)53-55(47,48)50-10-17-20(41)22(43)26(52-17)39-13-34-18-23-32-5-8-38(23)12-35-24(18)39/h3-8,12-14,16-17,19-22,25-26,40-43H,9-11H2,1-2H3,(H2-,33,44,45,46,47,48)/p+1/t14-,16+,17+,19+,20+,21+,22+,25+,26+/m0/s1","","2022-05-31","2022-09-16","1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-({(2R,3S,4R,5R)-3,4-dihydroxy-5-[(6S)-3H-imidazo[2,1-i]purin-3-yl]oxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name)","2022-09-21"],["8YA","3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","C23 H23 Cl F N7 O","c4cc(C)c(c1c(Cl)cc2c(ncnc2c1F)N3CCN(C(CCN)=O)CC3)c5cnnc45;Cc1ccc2[nH]ncc2c1c3c(Cl)cc4c(ncnc4c3F)N5CCN(CC5)C(=O)CCN;Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2","InChI=1S/C23H23ClFN7O/c1-13-2-3-17-15(11-29-30-17)19(13)20-16(24)10-14-22(21(20)25)27-12-28-23(14)32-8-6-31(7-9-32)18(33)4-5-26/h2-3,10-12H,4-9,26H2,1H3,(H,29,30)","KRAS(G12C) inhibitor, aziridine form, bound form","2017-03-20","2024-09-27","3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","2017-06-28"],["PZ8","1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid","C13 H12 Cl N O2","Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2;Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O","InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)","","2020-05-04","2020-08-14","1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid","2020-08-19"],["8YB","~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","C26 H20 Cl2 N2 O4 S2","CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3Cl)c(n2)c4cccc(Cl)c4)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl","InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)","","2017-03-23","2017-06-16","~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","2017-06-21"],["PZA","PYRAZINE-2-CARBOXAMIDE","C5 H5 N3 O","O=C(N)c1nccnc1;NC(=O)c1cnccn1;c1cnc(cn1)C(=O)N","InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)","Pyrazinamide","2004-09-06","2021-03-01","pyrazine-2-carboxamide",""],["8YC","(2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile","C14 H20 N4 O2","OCC1(CCCC1)NCC(=O)N2[CH](CC[CH]2C#N)C#N;C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N","InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+","","2017-11-08","2024-09-27","(2~{S},5~{R})-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile","2018-02-21"],["PZB","4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol","C15 H12 N2 O3","Oc3cc(O)c(c2nncc2Oc1ccccc1)cc3;Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3;c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O","InChI=1S/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17)","","2012-07-23","2012-08-31","4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol","2012-08-31"],["8YD","1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","C23 H22 Cl F N6 O","c4c5c(c(c2c(Cl)cc3c(N1CCN(C(CC)=O)CC1)ncnc3c2F)c(C)c4)cnn5;CCC(=O)N1CCN(CC1)c2ncnc3c(F)c(c(Cl)cc23)c4c(C)ccc5[nH]ncc45;CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl","InChI=1S/C23H22ClFN6O/c1-3-18(32)30-6-8-31(9-7-30)23-14-10-16(24)20(21(25)22(14)26-12-27-23)19-13(2)4-5-17-15(19)11-28-29-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,28,29)","KRAS(G12C) inhibitor, acrylamide form, bound form","2017-03-20","2024-09-27","1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","2017-06-28"],["PZC","(2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide","C27 H50 N6 O11","CNC1C(COC(C1O)OC3C(O)C(OC2C(CC=C(CNCCO)O2)NC(C)=O)C(N)CC3NC(=O)C(CCN)O)(C)O;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3OC(=CC[CH]3NC(C)=O)CNCCO)[CH](N)C[CH]2NC(=O)[CH](O)CCN;CC(=O)NC1CC=C(OC1OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)NC(=O)C(CCN)O)N)CNCCO","InChI=1S/C27H50N6O11/c1-13(35)32-16-5-4-14(11-31-8-9-34)42-25(16)43-21-15(29)10-17(33-24(39)18(36)6-7-28)22(19(21)37)44-26-20(38)23(30-3)27(2,40)12-41-26/h4,15-23,25-26,30-31,34,36-38,40H,5-12,28-29H2,1-3H3,(H,32,35)(H,33,39)/t15-,16+,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m0/s1","acetylated-plazomicin","2020-02-03","2021-05-28","(2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide","2021-06-02"],["8YE","[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone","C14 H16 N4 O3","CCCc1onc(c1)C(=O)n2cc3cnn(CCO)c3c2;CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO","InChI=1S/C14H16N4O3/c1-2-3-11-6-12(16-21-11)14(20)17-8-10-7-15-18(4-5-19)13(10)9-17/h6-9,19H,2-5H2,1H3","","2017-03-24","2017-11-10","[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone","2017-11-15"],["8YF","(2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole\n-5-carboxylic acid","C12 H19 N3 O5 S","C[CH](O)[CH]([CH]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O;CC(C(C1CC(=C(N1)C(=O)O)SCCNC=N)C(=O)O)O","InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1","Imipenem, hydrolyzed form","2017-11-08","2020-06-17","(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2018-02-21"],["PZD","(11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one","C24 H22 N2 O3","O=C2c1c(cc(OC)c(OC)c1)NCC5N2C=C(c4cc3ccccc3cc4)C5;COc1cc2NC[CH]3CC(=CN3C(=O)c2cc1OC)c4ccc5ccccc5c4;COc1cc2c(cc1OC)NCC3CC(=CN3C2=O)c4ccc5ccccc5c4","InChI=1S/C24H22N2O3/c1-28-22-11-20-21(12-23(22)29-2)25-13-19-10-18(14-26(19)24(20)27)17-8-7-15-5-3-4-6-16(15)9-17/h3-9,11-12,14,19,25H,10,13H2,1-2H3/t19-/m0/s1","","2008-06-16","2011-06-04","(11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one",""],["PZE","piperazine","C4 H10 N2","N1CCNCC1;C1CNCCN1;C1CNCCN1","InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2","","2011-02-01","2011-06-04","piperazine",""],["8YG","Ginsenoside Rh2","C36 H62 O8","CC(C)=CCC[C](C)(O)[CH]1CC[C]2(C)[CH]1[CH](O)C[CH]3[C]4(C)CC[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(C)(C)[CH]4CC[C]23C;CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C","InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol","2021-12-28","2025-01-30","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol","2025-01-29"],["PZF","(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE","C20 H18 F3 N5 O","Fc1cc(c(F)cc1F)C4CN(c3ncnc(c2ccc(OC)nc2)c3)CC4N;COc1ccc(cn1)c2cc(ncn2)N3C[CH](N)[CH](C3)c4cc(F)c(F)cc4F;COc1ccc(cn1)c2cc(ncn2)N3CC(C(C3)N)c4cc(c(cc4F)F)F","InChI=1S/C20H18F3N5O/c1-29-20-3-2-11(7-25-20)18-6-19(27-10-26-18)28-8-13(17(24)9-28)12-4-15(22)16(23)5-14(12)21/h2-7,10,13,17H,8-9,24H2,1H3/t13-,17+/m1/s1","","2007-07-26","2011-06-04","(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine",""],["8YH","~{N}-butyl-4-methyl-piperidine-1-carboxamide","C11 H22 N2 O","CCCCNC(=O)N1CCC(C)CC1;CCCCNC(=O)N1CCC(CC1)C","InChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14)","","2017-03-24","2017-11-10","~{N}-butyl-4-methyl-piperidine-1-carboxamide","2017-11-15"],["PZG","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid","C14 H18 N7 O7 P","Cc1n[nH]cc1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N;Cc1c(c[nH]n1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C14H18N7O7P/c1-5-7(2-17-20-5)29(25,26)27-3-6-9(22)10(23)13(28-6)21-4-16-8-11(21)18-14(15)19-12(8)24/h2,4,6,9-10,13,22-23H,3H2,1H3,(H,17,20)(H,25,26)(H3,15,18,19,24)/t6-,9-,10-,13-/m1/s1","","2016-01-05","2016-12-02","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid","2016-12-07"],["8YI","(2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid","C10 H11 N3 O2","O=C(O)C(Cc1[NH]cnc1)n1cccc1;OC(=O)[CH](Cc1[nH]cnc1)n2cccc2;c1ccn(c1)C(Cc2cnc[nH]2)C(=O)O","InChI=1S/C10H11N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h1-4,6-7,9H,5H2,(H,11,12)(H,14,15)/t9-/m0/s1","","2021-10-01","2021-11-26","(2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid","2021-12-01"],["8YJ","2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid","C15 H11 Cl O3 S","c1(ccccc1SCC(=O)c2ccc(cc2)Cl)C(O)=O;OC(=O)c1ccccc1SCC(=O)c2ccc(Cl)cc2;c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl","InChI=1S/C15H11ClO3S/c16-11-7-5-10(6-8-11)13(17)9-20-14-4-2-1-3-12(14)15(18)19/h1-8H,9H2,(H,18,19)","","2017-03-20","2018-03-16","2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid","2018-03-21"],["PZH","1-(4-BROMOPHENYL)METHANAMINE","C7 H8 Br N","Brc1ccc(cc1)CN;NCc1ccc(Br)cc1;c1cc(ccc1CN)Br","InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2","4-BROMOBENZYLAMINE","2006-07-21","2020-06-17","1-(4-bromophenyl)methanamine","2014-03-19"],["PZI","2-(2-oxopyrrolidin-1-yl)acetamide","C6 H10 N2 O2","NC(=O)CN1CCCC1=O;C1CC(=O)N(C1)CC(=O)N","InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)","","2010-02-17","2011-06-04","2-(2-oxopyrrolidin-1-yl)ethanamide",""],["8YL","(2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan\nyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid","C17 H27 N3 O6 S","C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O;CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C(C(C)O)C(=O)O","InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-/m1/s1","Meropenem, hydrolyzed form","2017-11-08","2020-06-17","(2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2017-12-13"],["PZJ","(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol","C14 H19 Cl N2 O3 S","C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O;O[CH]1C[S](=O)(=O)C[CH]1N2CCN(CC2)c3ccccc3Cl;c1ccc(c(c1)N2CCN(CC2)C3CS(=O)(=O)CC3O)Cl","InChI=1S/C14H19ClN2O3S/c15-11-3-1-2-4-12(11)16-5-7-17(8-6-16)13-9-21(19,20)10-14(13)18/h1-4,13-14,18H,5-10H2/t13-,14-/m0/s1","","2019-08-29","2020-09-25","(3R,4R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-4-hydroxy-1lambda~6~-thiolane-1,1-dione","2020-09-30"],["8YM","2-[(2-acetylphenyl)sulfanyl]benzoic acid","C15 H12 O3 S","c1ccc(c(c1)Sc2c(cccc2)C(O)=O)C(C)=O;CC(=O)c1ccccc1Sc2ccccc2C(O)=O;CC(=O)c1ccccc1Sc2ccccc2C(=O)O","InChI=1S/C15H12O3S/c1-10(16)11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(17)18/h2-9H,1H3,(H,17,18)","","2017-03-20","2017-10-13","2-[(2-acetylphenyl)sulfanyl]benzoic acid","2017-10-18"],["PZK","4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile","C15 H11 F N6","Nc1ncnc(c2cnn(Cc3cccc(F)c3)c2)c1C#N;c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N","InChI=1S/C15H11FN6/c16-12-3-1-2-10(4-12)7-22-8-11(6-21-22)14-13(5-17)15(18)20-9-19-14/h1-4,6,8-9H,7H2,(H2,18,19,20)","","2020-05-04","2021-05-07","4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile","2021-05-12"],["8YN","Pseudoisocytidine","C9 H14 N3 O7 P","NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1;C1C(C(OC1C2=CN=C(NC2=O)N)COP(=O)(O)O)O","InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1","","2017-03-27","2019-05-07","[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2017-06-28"],["8YO","7-methoxy-1-benzofuran-2-carboxylic acid","C10 H8 O4","COc1cccc2cc(oc12)C(O)=O;COc1cccc2c1oc(c2)C(=O)O","InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)","","2017-11-09","2018-07-06","7-methoxy-1-benzofuran-2-carboxylic acid","2018-07-11"],["PZL","3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile","C19 H10 Br Cl F N5 O","N#Cc4cc(Oc1c(Br)ccc(c1F)Cc3nnc2nnccc23)cc(Cl)c4;Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc4cc(Cl)cc(c4)C#N;c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br","InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)","","2008-07-29","2011-06-04","3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile",""],["PZM","1-(4-METHOXYPHENYL)METHANAMINE","C8 H11 N O","O(c1ccc(cc1)CN)C;COc1ccc(CN)cc1;COc1ccc(cc1)CN","InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3","P-METHOXYBENZYLAMINE","2006-07-24","2021-03-01","1-(4-methoxyphenyl)methanamine",""],["8YP","decanal","C10 H20 O","CCCCCCCCCC=O;CCCCCCCCCC=O;CCCCCCCCCC=O","InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3","","2017-03-21","2017-04-21","decanal","2017-04-26"],["PZN","3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION","C28 H44 N7 O6","[O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C(=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC;CCCCCCN(C)CC(=O)[CH](CC([O-])=O)NC(=O)[CH](CC)N1C=C(N=C(NCc2nonc2C)C1=O)C(C)(C)C;CCCCCCN(C)CC(=O)C(CC(=O)[O-])NC(=O)C(CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C","InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p-1/t19-,21-/m0/s1","","2003-11-19","2024-09-27","(3S)-3-({(2S)-2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-5-[hexyl(methyl)amino]-4-oxopentanoate",""],["8YQ","(2~{R},3~{R},5~{R})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid","C36 H35 Cl N2 O7","Cc1c(COc2cc(OCc3cccc(CN)c3)c(C[CH]4N[CH](O)C[CH]4C(O)=O)cc2Cl)cccc1c5ccc6OC=COc6c5;Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)CC5C(CC(N5)O)C(=O)O)OCc6cccc(c6)CN","InChI=1S/C36H35ClN2O7/c1-21-25(6-3-7-27(21)24-8-9-31-34(15-24)44-11-10-43-31)20-46-33-17-32(45-19-23-5-2-4-22(12-23)18-38)26(13-29(33)37)14-30-28(36(41)42)16-35(40)39-30/h2-13,15,17,28,30,35,39-40H,14,16,18-20,38H2,1H3,(H,41,42)/t28-,30-,35-/m1/s1","","2017-03-27","2017-12-01","(2~{R},3~{R},5~{R})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid","2017-12-06"],["PZO","PYRAZOLE","C3 H4 N2","n1cccn1;[nH]1cccn1;c1c[nH]nc1","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","","2002-12-17","2011-06-04","1H-pyrazole",""],["8YR","(2S)-2-azanyl-2-[(3R)-oxolan-3-yl]ethanoic acid","C6 H11 N O3","N[CH]([CH]1CCOC1)C(O)=O;C1COCC1C(C(=O)O)N","InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1","","2017-11-09","2018-07-06","(2~{S})-2-azanyl-2-[(3~{R})-oxolan-3-yl]ethanoic acid","2018-07-11"],["PZP","[5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate","C8 H11 N2 O5 P","O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C;Cc1ncc(CO[P](O)(O)=O)c(C=N)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=N)O","InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+","pyridoximine-5'-phosphate","2010-04-23","2021-03-01","{5-hydroxy-4-[(E)-iminomethyl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate",""],["8YT","1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide","C17 H24 N2 O3","C[CH]1C[CH]1c2oc(CCC(=O)N3CCC(CC3)C(N)=O)cc2;CC1CC1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N","InChI=1S/C17H24N2O3/c1-11-10-14(11)15-4-2-13(22-15)3-5-16(20)19-8-6-12(7-9-19)17(18)21/h2,4,11-12,14H,3,5-10H2,1H3,(H2,18,21)/t11-,14-/m1/s1","","2017-03-27","2017-11-10","1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide","2017-11-15"],["PZQ","PRAZIQUANTEL","C19 H24 N2 O2","O=C4N2CCc1c(cccc1)C2CN(C(=O)C3CCCCC3)C4;O=C1CN(C[CH]2N1CCc3ccccc23)C(=O)C4CCCCC4;c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)C4CCCCC4","InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1","","1999-07-08","2011-06-04","(11bR)-2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one",""],["8YU","(2,6-dimethylphenyl)methanamine","C9 H13 N","Cc1cccc(C)c1CN;Cc1cccc(c1CN)C","InChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6,10H2,1-2H3","","2017-11-09","2018-07-06","(2,6-dimethylphenyl)methanamine","2018-07-11"],["PZR","1H-pyrazolo[4,3-c]pyridine","C6 H5 N3","n1ccc2c(c1)cnn2;[nH]1ncc2cnccc12;c1cncc2c1[nH]nc2","InChI=1S/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9)","","2011-05-26","2011-06-04","1H-pyrazolo[4,3-c]pyridine",""],["8YV","2-keto-D-gluconic acid","C6 H10 O7","C(C(CO)O)(O)C(C(C(=O)O)=O)O;OC[CH](O)[CH](O)[CH](O)C(=O)C(O)=O;C(C(C(C(C(=O)C(=O)O)O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1","(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid; D-fructosonic acid","2017-03-21","2020-06-24","D-fructosonic acid","2017-03-29"],["PZS","(5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","C22 H25 N O6","CCCCC=CC1=C(C)C(=O)[C]2(O1)[CH](O)[C](NC2=O)(OC)C(=O)c3ccccc3;CCCCC=CC1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)c3ccccc3)OC)O)C","InChI=1S/C22H25NO6/c1-4-5-6-10-13-16-14(2)17(24)21(29-16)19(26)22(28-3,23-20(21)27)18(25)15-11-8-7-9-12-15/h7-13,19,26H,4-6H2,1-3H3,(H,23,27)/b13-10+/t19-,21-,22-/m1/s1","","2016-01-06","2016-04-15","(5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","2016-04-20"],["8YW","~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide","C16 H14 N2 O6","O[CH](CNC(=O)c1ccc2OCOc2c1)c3ccc(cc3)[N+]([O-])=O;c1cc(ccc1C(CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-]","InChI=1S/C16H14N2O6/c19-13(10-1-4-12(5-2-10)18(21)22)8-17-16(20)11-3-6-14-15(7-11)24-9-23-14/h1-7,13,19H,8-9H2,(H,17,20)/t13-/m0/s1","","2017-03-27","2017-11-10","~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide","2017-11-15"],["8YX","2-azanyl-4,6-bis(bromanyl)phenol","C6 H5 Br2 N O","Nc1cc(Br)cc(Br)c1O;c1c(cc(c(c1N)O)Br)Br","InChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2","","2021-11-09","2022-08-22","2-azanyl-4,6-bis(bromanyl)phenol","2022-08-03"],["PZU","alpha-D-Paratopyranose","C6 H12 O4","OC1C(OC(O)C(O)C1)C;C[CH]1O[CH](O)[CH](O)C[CH]1O;CC1C(CC(C(O1)O)O)O","InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1","alpha-D-Paratose; 3,6-dideoxy-alpha-D-ribo-hexopyranose; 3,6-dideoxy-alpha-D-glucopyranose;\n3,6-dideoxy-alpha-D-allopyranose; 3-deoxy-alpha-D-quinovopyranose; D-Paratose; Paratose","2011-09-02","2020-07-17","3,6-dideoxy-alpha-D-ribo-hexopyranose","2012-08-24"],["PZV","1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide","C16 H15 F N2 O3 S","c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23;CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F;CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F","InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3","","2019-08-30","2020-08-28","1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide","2020-09-02"],["8YZ","(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid","C35 H34 N2 O7","Cc1cc(CN[CH](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc3cccc(c3C)c4ccc5OCCOc5c4;Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CNC(CO)C(=O)O","InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1","","2017-03-28","2017-12-01","(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid","2017-12-06"],["PZW","(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","C15 H19 N5 O2","O=C4NN=C1N(c3c(OC1)cc(c(NC2CNC2)c3)C)C4C;C[CH]1N2C(=NNC1=O)COc3cc(C)c(NC4CNC4)cc23;Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C","InChI=1S/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/m1/s1","","2014-05-07","2014-06-27","(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","2014-07-02"],["8Z0","(4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3\n-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C41 H48 N4 O8 S","COc1cccc2cc(oc12)C(=O)N[CH]([CH]3CCOC3)C(=O)N[CH](Cc4ccccc4)[CH](O)C(=O)N5CSC(C)(C)[CH]5C(=O)NCc6c(C)cccc6C;Cc1cccc(c1CNC(=O)C2C(SCN2C(=O)C(C(Cc3ccccc3)NC(=O)C(C4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C","InChI=1S/C41H48N4O8S/c1-24-11-9-12-25(2)29(24)21-42-39(49)36-41(3,4)54-23-45(36)40(50)34(46)30(19-26-13-7-6-8-14-26)43-38(48)33(28-17-18-52-22-28)44-37(47)32-20-27-15-10-16-31(51-5)35(27)53-32/h6-16,20,28,30,33-34,36,46H,17-19,21-23H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)/t28-,30-,33-,34-,36+/m0/s1","KNI-1657","2017-11-09","2020-06-17","(4~{R})-~{N}-[(2,6-dimethylphenyl)methyl]-3-[(2~{S},3~{S})-3-[[(2~{S})-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3~{R})-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","2018-07-11"],["8Z1","(4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","C22 H24 F3 N5 O","N#CC=1C(c2c(OC=1N)nnc2C)(c3cc(C(F)(F)F)cc(c3)N4CCCC4)C(C)C;CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)N3CCCC3)C(=C(N)Oc4[nH]nc(C)c14)C#N;Cc1c2c([nH]n1)OC(=C(C2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N","InChI=1S/C22H24F3N5O/c1-12(2)21(17(11-26)19(27)31-20-18(21)13(3)28-29-20)14-8-15(22(23,24)25)10-16(9-14)30-6-4-5-7-30/h8-10,12H,4-7,27H2,1-3H3,(H,28,29)/t21-/m0/s1","","2017-03-21","2017-10-06","(4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","2017-10-11"],["PZX","pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate","C11 H11 N3 O2","O=C(OCc1cccnc1)c2nnc(c2)C;Cc1[nH]nc(c1)C(=O)OCc2cccnc2;Cc1cc(n[nH]1)C(=O)OCc2cccnc2","InChI=1S/C11H11N3O2/c1-8-5-10(14-13-8)11(15)16-7-9-3-2-4-12-6-9/h2-6H,7H2,1H3,(H,13,14)","","2012-12-20","2013-04-26","pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate","2013-05-01"],["8Z2","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate","C33 H56 N7 O17 P3 S","CCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1","","2017-03-28","2017-05-26","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate","2017-05-31"],["PZY","2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid","C30 H37 N3 O4 S2","N(c1ccc(cc1C(O)=O)SCCc2ccccc2)S(N4CCN(Cc3ccc(cc3)C(C)(C)C)CC4)(=O)=O;CC(C)(C)c1ccc(CN2CCN(CC2)[S](=O)(=O)Nc3ccc(SCCc4ccccc4)cc3C(O)=O)cc1;CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4","InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35)","","2019-08-30","2020-02-28","2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid","2020-03-04"],["PZZ","3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL","C14 H20 N2 O","OCCCc1cccc2c1ncc2CN(C)C;CN(C)Cc1c[nH]c2c(CCCO)cccc12;CN(C)Cc1c[nH]c2c1cccc2CCCO","InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3","","2007-07-05","2011-06-04","3-{3-[(dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol",""],["8Z3","(2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C29 H32 F N O6 S","Cc1ccc(c(O)c1)c2c(C)c3c(N(Cc4cccc(F)c34)[S](C)(=O)=O)c(C)c2[CH](OC(C)(C)C)C(O)=O;Cc1ccc(c(c1)O)c2c(c-3c(c(c2C(C(=O)O)OC(C)(C)C)C)N(Cc4c3c(ccc4)F)S(=O)(=O)C)C","InChI=1S/C29H32FNO6S/c1-15-11-12-19(21(32)13-15)22-16(2)23-25-18(9-8-10-20(25)30)14-31(38(7,35)36)26(23)17(3)24(22)27(28(33)34)37-29(4,5)6/h8-13,27,32H,14H2,1-7H3,(H,33,34)/t27-/m0/s1","","2021-12-28","2022-09-02","(2~{S})-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6~{H}-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2022-09-07"],["Q00","N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine","C19 H24 N2 O2","O=C(O)C(NCCC(N)Cc1ccccc1)Cc2ccccc2;N[CH](CCN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2;c1ccc(cc1)CC(CCNC(Cc2ccccc2)C(=O)O)N","InChI=1S/C19H24N2O2/c20-17(13-15-7-3-1-4-8-15)11-12-21-18(19(22)23)14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14,20H2,(H,22,23)/t17-,18+/m1/s1","","2010-11-17","2012-01-13","N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine",""],["8Z4","(4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-","C29 H33 N3 O4","COc1ccc(cc1c2ccc(cc2)C(=O)N3CC[CH](O)C3)C4=NN(C(C)C)C(=O)[CH]5CC=CC[CH]45;CC(C)N1C(=O)C2CC=CCC2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CCC(C5)O)OC","InChI=1S/C29H33N3O4/c1-18(2)32-29(35)24-7-5-4-6-23(24)27(30-32)21-12-13-26(36-3)25(16-21)19-8-10-20(11-9-19)28(34)31-15-14-22(33)17-31/h4-5,8-13,16,18,22-24,33H,6-7,14-15,17H2,1-3H3/t22-,23+,24-/m1/s1","","2016-06-06","2018-03-09","(4aS,8aR)-4-[4-methoxy-3-[4-[(3R)-3-oxidanylpyrrolidin-1-yl]carbonylphenyl]phenyl]-2-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one","2018-03-14"],["Q01","2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid","C30 H36 N4 O5 S2","c1(ccccc1)NC(CCSc4cc(C(O)=O)c(NS(=O)(=O)N3CCN(c2ccc(C(C)(C)C)cc2)CC3)cc4)=O;CC(C)(C)c1ccc(cc1)N2CCN(CC2)[S](=O)(=O)Nc3ccc(SCCC(=O)Nc4ccccc4)cc3C(O)=O;CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4","InChI=1S/C30H36N4O5S2/c1-30(2,3)22-9-11-24(12-10-22)33-16-18-34(19-17-33)41(38,39)32-27-14-13-25(21-26(27)29(36)37)40-20-15-28(35)31-23-7-5-4-6-8-23/h4-14,21,32H,15-20H2,1-3H3,(H,31,35)(H,36,37)","","2019-08-30","2020-02-28","2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid","2020-03-04"],["8Z5","Alpha-Bromo-3-Iodotoluene","C7 H6 Br I","BrCc1cccc(I)c1;c1cc(cc(c1)I)CBr","InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2","","2017-03-28","2018-02-16","1-(bromomethyl)-3-iodanyl-benzene","2018-02-21"],["Q02","[(R)-amino(phenyl)methyl]phosphonic acid","C7 H10 N O3 P","O=P(O)(O)C(N)c1ccccc1;N[CH](c1ccccc1)[P](O)(O)=O;c1ccc(cc1)C(N)P(=O)(O)O","InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/t7-/m1/s1","","2014-07-29","2015-03-20","[(R)-amino(phenyl)methyl]phosphonic acid","2015-03-25"],["8Z6","2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione","C11 H10 O2 S","[CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2;C=C1C(=O)CC(CC1=O)c2cccs2","InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2","","2017-11-09","2024-09-27","2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione","2021-10-13"],["Q03","[(R)-amino(cyclohexyl)methyl]phosphonic acid","C7 H16 N O3 P","O=P(O)(O)C(N)C1CCCCC1;N[CH](C1CCCCC1)[P](O)(O)=O;C1CCC(CC1)C(N)P(=O)(O)O","InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)/t7-/m1/s1","","2014-08-07","2015-03-20","[(R)-amino(cyclohexyl)methyl]phosphonic acid","2015-03-25"],["8Z7","N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea","C20 H22 F3 N3 O","C3C(NC(=O)Nc1cc(C(F)(F)F)ccc1)CCN(Cc2ccccc2)C3;FC(F)(F)c1cccc(NC(=O)NC2CCN(CC2)Cc3ccccc3)c1;c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C20H22F3N3O/c21-20(22,23)16-7-4-8-18(13-16)25-19(27)24-17-9-11-26(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,24,25,27)","","2017-03-22","2017-05-19","N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea","2017-05-24"],["Q04","[(1R)-1-amino-2-cyclohexylethyl]phosphonic acid","C8 H18 N O3 P","O=P(O)(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)[P](O)(O)=O;C1CCC(CC1)CC(N)P(=O)(O)O","InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1","","2014-08-06","2015-03-20","[(1R)-1-amino-2-cyclohexylethyl]phosphonic acid","2015-03-25"],["8Z8","5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine","C19 H17 Cl F3 N5 O","CO[CH]1C[CH]2CC[CH](C1)N2c3n4ncnc4nc(Cl)c3c5c(F)cc(F)cc5F;COC1CC2CCC(C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F","InChI=1S/C19H17ClF3N5O/c1-29-12-6-10-2-3-11(7-12)27(10)18-16(15-13(22)4-9(21)5-14(15)23)17(20)26-19-24-8-25-28(18)19/h4-5,8,10-12H,2-3,6-7H2,1H3/t10-,11+,12+","","2017-03-29","2017-06-16","5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine","2017-06-21"],["Q05","6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine","C22 H24 F N3 O","Fc1cccc(c1)CCNCc3cc(OCc2nc(N)cc(c2)C)ccc3;Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1;Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F","InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)","","2013-03-28","2013-08-02","6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine","2013-08-07"],["8Z9","Sapienic acid","C16 H30 O2","O=C(O)CCCCC=C/CCCCCCCCC;CCCCCCCCCC=CCCCCC(O)=O;CCCCCCCCCC=CCCCCC(=O)O","InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-","","2021-10-04","2022-04-29","(6Z)-hexadec-6-enoic acid","2022-05-04"],["8ZA","N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea","C23 H29 Cl2 N3 O","C(CCC)N3CCC(N(Cc1ccccc1)C(Nc2cc(Cl)c(Cl)cc2)=O)CC3;CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(Cl)c(Cl)c3;CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl","InChI=1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)","","2017-03-22","2017-05-19","N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea","2017-05-24"],["Q06","[(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid","C8 H18 N O3 P","O=P(O)(O)C(N)CCC1CCCC1;N[CH](CCC1CCCC1)[P](O)(O)=O;C1CCC(C1)CCC(N)P(=O)(O)O","InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-5-7-3-1-2-4-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1","","2014-07-31","2015-03-20","[(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid","2015-03-25"],["Q07","[(1R,2S)-1-amino-2-methylpentyl]phosphonic acid","C6 H16 N O3 P","O=P(O)(O)C(N)C(CCC)C;CCC[CH](C)[CH](N)[P](O)(O)=O;CCCC(C)C(N)P(=O)(O)O","InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)/t5-,6+/m0/s1","","2014-07-29","2015-03-20","[(1R,2S)-1-amino-2-methylpentyl]phosphonic acid","2015-03-25"],["8ZB","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol","C12 H17 N5 O3","CCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H17N5O3/c1-2-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2017-03-30","2024-09-27","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol","2017-04-05"],["Q08","[(1R)-1-amino-2-propylpentyl]phosphonic acid","C8 H20 N O3 P","O=P(O)(O)C(N)C(CCC)CCC;CCCC(CCC)[CH](N)[P](O)(O)=O;CCCC(CCC)C(N)P(=O)(O)O","InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)/t8-/m1/s1","","2014-07-29","2015-03-20","[(1R)-1-amino-2-propylpentyl]phosphonic acid","2015-03-25"],["8ZC","2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide","C16 H12 F N3 O2","NC(=O)c1c(N)c(n2ccccc12)C(=O)c3ccc(F)cc3;c1ccn2c(c1)c(c(c2C(=O)c3ccc(cc3)F)N)C(=O)N","InChI=1S/C16H12FN3O2/c17-10-6-4-9(5-7-10)15(21)14-13(18)12(16(19)22)11-3-1-2-8-20(11)14/h1-8H,18H2,(H2,19,22)","","2021-11-09","2022-08-22","2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide","2022-06-22"],["Q09","2-(4-ethoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide","C27 H33 N3 O2","CCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCCC[CH]3C)c4ccccc4n2;CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NCCCN4CCCCC4C","InChI=1S/C27H33N3O2/c1-3-32-22-14-12-21(13-15-22)26-19-24(23-10-4-5-11-25(23)29-26)27(31)28-16-8-18-30-17-7-6-9-20(30)2/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,28,31)/t20-/m1/s1","","2023-03-09","2023-09-22","2-(4-ethoxyphenyl)-~{N}-[3-[(2~{R})-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide","2023-09-27"],["8ZD","N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide","C28 H37 F3 N4 O2","FC(F)(F)c1cccc(c1)NC(=O)N(C2CCN(CC2)C(CCC)C)Cc3ccccc3NC(CC)=O;CCC[CH](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F;CCCC(C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C28H37F3N4O2/c1-4-9-20(3)34-16-14-24(15-17-34)35(19-21-10-6-7-13-25(21)33-26(36)5-2)27(37)32-23-12-8-11-22(18-23)28(29,30)31/h6-8,10-13,18,20,24H,4-5,9,14-17,19H2,1-3H3,(H,32,37)(H,33,36)/t20-/m1/s1","","2017-03-22","2024-09-27","N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide","2017-05-24"],["8ZE","2,3-dihydro-1,4-benzodioxin-6-ylmethanol","C9 H10 O3","O1c2c(OCC1)cc(cc2)CO;OCc1ccc2OCCOc2c1;c1cc2c(cc1CO)OCCO2","InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2","","2013-07-31","2014-02-21","2,3-dihydro-1,4-benzodioxin-6-ylmethanol","2014-02-26"],["Q0A","2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid","C26 H28 F N3 O4 S2","c4(c(NS(=O)(N2CCN(Cc1ccc(cc1)F)CC2)=O)ccc(SCCc3ccccc3)c4)C(O)=O;OC(=O)c1cc(SCCc2ccccc2)ccc1N[S](=O)(=O)N3CCN(CC3)Cc4ccc(F)cc4;c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F","InChI=1S/C26H28FN3O4S2/c27-22-8-6-21(7-9-22)19-29-13-15-30(16-14-29)36(33,34)28-25-11-10-23(18-24(25)26(31)32)35-17-12-20-4-2-1-3-5-20/h1-11,18,28H,12-17,19H2,(H,31,32)","","2019-08-30","2020-02-28","2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid","2020-03-04"],["Q0B","2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","C22 H22 Cl N5 O2","Clc1ccccc1n3c(c(c2nc4ccccc4nc23)C(=O)NCCCOCC)N;CCOCCCNC(=O)c1c(N)n(c2ccccc2Cl)c3nc4ccccc4nc13;CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl","InChI=1S/C22H22ClN5O2/c1-2-30-13-7-12-25-22(29)18-19-21(27-16-10-5-4-9-15(16)26-19)28(20(18)24)17-11-6-3-8-14(17)23/h3-6,8-11H,2,7,12-13,24H2,1H3,(H,25,29)","","2014-03-21","2014-09-05","2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","2014-08-13"],["8ZF","11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one","C24 H27 F2 N5 O4","CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c5c(F)c(OC)cc(OC)c5F;CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5","InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)","Pemigatinib","2021-12-28","2022-09-09","11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one","2022-09-14"],["Q0C","3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide","C18 H17 Cl N4 O","Clc1ccc(cc1)CCC(=O)Nc1[NH]nc(c2ccncc2)c1C;Cc1c([nH]nc1c2ccncc2)NC(=O)CCc3ccc(Cl)cc3;Cc1c(n[nH]c1NC(=O)CCc2ccc(cc2)Cl)c3ccncc3","InChI=1S/C18H17ClN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-3,5-6,8-11H,4,7H2,1H3,(H2,21,22,23,24)","","2022-05-31","2022-09-16","3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide","2022-09-21"],["8ZG","1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","C21 H20 Cl F N4 O","c3(c1ccccc1F)c(Cl)cc4c(N2CCN(CC2)C(=O)CC)ncnc4c3;CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4ccccc4F;CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl","InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3","","2017-03-22","2024-09-27","1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","2017-08-23"],["Q0D","2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid","C25 H21 N O4 S2","c1(cc(ccc1NS(c3cc2ccccc2cc3)(=O)=O)SCCc4ccccc4)C(O)=O;OC(=O)c1cc(SCCc2ccccc2)ccc1N[S](=O)(=O)c3ccc4ccccc4c3;c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C25H21NO4S2/c27-25(28)23-17-21(31-15-14-18-6-2-1-3-7-18)11-13-24(23)26-32(29,30)22-12-10-19-8-4-5-9-20(19)16-22/h1-13,16-17,26H,14-15H2,(H,27,28)","","2019-08-30","2020-02-28","2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid","2020-03-04"],["8ZH","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide","C23 H24 Cl N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NC4CCNCC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl","InChI=1S/C23H24ClN5O2S/c1-14-4-2-7-18(24)20(14)29-22(31)19-13-26-23(32-19)28-17-6-3-5-15(12-17)21(30)27-16-8-10-25-11-9-16/h2-7,12-13,16,25H,8-11H2,1H3,(H,26,28)(H,27,30)(H,29,31)","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["8ZI","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C28 H47 N5 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C;CC(C)(C)CC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)CC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)N)O)C","InChI=1S/C28H47N5O6/c1-26(2,3)12-17(34)32-21(27(4,5)6)25(39)33-13-15-18(28(15,7)8)19(33)24(38)31-16(20(35)22(29)36)11-14-9-10-30-23(14)37/h14-16,18-21,35H,9-13H2,1-8H3,(H2,29,36)(H,30,37)(H,31,38)(H,32,34)/t14-,15-,16-,18-,19-,20+,21+/m0/s1","","2021-10-04","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-10-05"],["Q0E","4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile","C14 H11 N7","Nc1ncnc(c2cnn(Cc3cccnc3)c2)c1C#N;c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N","InChI=1S/C14H11N7/c15-4-12-13(18-9-19-14(12)16)11-6-20-21(8-11)7-10-2-1-3-17-5-10/h1-3,5-6,8-9H,7H2,(H2,16,18,19)","","2020-05-04","2021-05-07","4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile","2021-05-12"],["8ZJ","4-hydroxy-N-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide","C15 H13 N3 O2","c3c(c2cc(O)n1c(c(cc1)C(NC)=O)n2)cccc3;CNC(=O)c1ccn2c(O)cc(nc12)c3ccccc3;CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3","InChI=1S/C15H13N3O2/c1-16-15(20)11-7-8-18-13(19)9-12(17-14(11)18)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,16,20)","","2017-03-23","2017-09-22","4-hydroxy-N-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide","2017-09-27"],["Q0F","[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] pent-4-enoate","C33 H43 Cl N2 O9","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)CCC=C)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)CCC=C)C)C)OC)(NC(=O)O2)O","InChI=1S/C33H43ClN2O9/c1-8-9-13-28(38)44-26-17-27(37)36(5)22-15-21(16-23(41-6)29(22)34)14-19(2)11-10-12-25(42-7)33(40)18-24(43-31(39)35-33)20(3)30-32(26,4)45-30/h8,10-12,15-16,20,24-26,30,40H,1,9,13-14,17-18H2,2-7H3,(H,35,39)/b12-10+,19-11+/t20-,24-,25-,26+,30+,32+,33+/m1/s1","","2022-10-05","2023-08-18","[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] pent-4-enoate","2023-08-23"],["Q0G","5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid","C25 H27 N3 O4 S2","C2CN(c1ccccc1)CCN2S(=O)(=O)Nc4ccc(SCCc3ccccc3)cc4C(=O)O;OC(=O)c1cc(SCCc2ccccc2)ccc1N[S](=O)(=O)N3CCN(CC3)c4ccccc4;c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4","InChI=1S/C25H27N3O4S2/c29-25(30)23-19-22(33-18-13-20-7-3-1-4-8-20)11-12-24(23)26-34(31,32)28-16-14-27(15-17-28)21-9-5-2-6-10-21/h1-12,19,26H,13-18H2,(H,29,30)","","2019-08-30","2020-02-28","5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid","2020-03-04"],["8ZK","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide","C25 H28 Cl N5 O2 S","CCc1cc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(c1)C(=O)NC4CCNCC4;CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4","InChI=1S/C25H28ClN5O2S/c1-3-16-11-17(23(32)29-18-7-9-27-10-8-18)13-19(12-16)30-25-28-14-21(34-25)24(33)31-22-15(2)5-4-6-20(22)26/h4-6,11-14,18,27H,3,7-10H2,1-2H3,(H,28,30)(H,29,32)(H,31,33)","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q0H","4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile","C15 H10 F2 N6","Nc1ncnc(c2cnn(Cc3ccc(F)c(F)c3)c2)c1C#N;c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F","InChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21)","","2020-05-04","2021-05-07","4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile","2021-05-12"],["8ZL","(5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide","C26 H35 N5 O7 S","CNC(=O)CCC(=O)N1CCC[CH]1C(=O)N[CH]2COC(=O)c3ccccc3CSC[CH](NC2=O)C(=O)N(C)C;CNC(=O)CCC(=O)N1CCCC1C(=O)NC2COC(=O)c3ccccc3CSCC(NC2=O)C(=O)N(C)C","InChI=1S/C26H35N5O7S/c1-27-21(32)10-11-22(33)31-12-6-9-20(31)24(35)28-18-13-38-26(37)17-8-5-4-7-16(17)14-39-15-19(29-23(18)34)25(36)30(2)3/h4-5,7-8,18-20H,6,9-15H2,1-3H3,(H,27,32)(H,28,35)(H,29,34)/t18-,19-,20+/m1/s1","","2021-11-10","2022-08-22","(5~{S},8~{R})-~{N},~{N}-dimethyl-8-[[(2~{S})-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide","2022-03-16"],["8ZM","5-phenyltetrazolo[1,5-a]pyrimidin-7-ol","C10 H7 N5 O","c3(c1nc2n(c(c1)O)nnn2)ccccc3;Oc1cc(nc2nnnn12)c3ccccc3;c1ccc(cc1)c2cc(n3c(n2)nnn3)O","InChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6,16H","","2017-03-23","2017-09-22","5-phenyltetrazolo[1,5-a]pyrimidin-7-ol","2017-09-27"],["Q0I","(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C22 H19 Cl N2 O3","CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21;CCC(=O)N(C(=O)[CH]1CCOc2ccc(Cl)cc12)c3cncc4ccccc34;CCC(=O)N(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1","","2023-08-18","2024-09-27","(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["Q0J","2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine","C19 H14 F N3","c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F;Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4;Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4","InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3","","2019-09-01","2019-10-25","2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine","2019-10-30"],["8ZN","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide","C24 H23 Cl F3 N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl","InChI=1S/C24H23ClF3N5O2S/c1-13-3-2-4-18(25)20(13)33-22(35)19-12-30-23(36-19)32-17-10-14(9-15(11-17)24(26,27)28)21(34)31-16-5-7-29-8-6-16/h2-4,9-12,16,29H,5-8H2,1H3,(H,30,32)(H,31,34)(H,33,35)","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q0K","2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one","C13 H12 N4 O","O=C1c2c(cnc2N=C(N)N1)c3ccc(cc3)C;Cc1ccc(cc1)c2c[nH]c3N=C(N)NC(=O)c23;Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N","InChI=1S/C13H12N4O/c1-7-2-4-8(5-3-7)9-6-15-11-10(9)12(18)17-13(14)16-11/h2-6H,1H3,(H4,14,15,16,17,18)","","2014-01-15","2015-01-16","2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2015-01-21"],["8ZO","prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate","C12 H12 O4 S","C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12;C=CCOC(=O)C1CS(=O)(=O)c2c1cccc2","InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1","","2017-11-13","2024-09-27","prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate","2020-08-19"],["Q0L","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-[4-[3-[3-(4-chlorophenyl)propanoylamino]-4-methyl-1~{H}-pyrazol-5-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C33 H39 Cl N9 O14 P2","Clc1ccc(cc1)CCC(=O)Nc1n[NH]c(c1C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;Cc1c(NC(=O)CCc2ccc(Cl)cc2)n[nH]c1c3cc[n+](cc3)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH](O)[CH]4O;Cc1c([nH]nc1NC(=O)CCc2ccc(cc2)Cl)c3cc[n+](cc3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O","InChI=1S/C33H38ClN9O14P2/c1-16-23(40-41-30(16)39-22(44)7-4-17-2-5-19(34)6-3-17)18-8-10-42(11-9-18)32-27(47)25(45)20(55-32)12-53-58(49,50)57-59(51,52)54-13-21-26(46)28(48)33(56-21)43-15-38-24-29(35)36-14-37-31(24)43/h2-3,5-6,8-11,14-15,20-21,25-28,32-33,45-48H,4,7,12-13H2,1H3,(H5,35,36,37,39,44,49,50,51,52)/p+1/t20-,21-,25-,26-,27-,28-,32-,33-/m1/s1","","2022-05-31","2022-09-16","1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{3-[3-(4-chlorophenyl)propanamido]-4-methyl-1H-pyrazol-5-yl}pyridin-1-ium (non-preferred name)","2022-09-21"],["8ZP","(1R,2S)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid","C21 H21 N3 O4","c1ccccc1c4cc(O)n2c(c(cc2)C(NC3CCCCC3C(O)=O)=O)n4;OC(=O)[CH]1CCCC[CH]1NC(=O)c2ccn3c(O)cc(nc23)c4ccccc4;c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)NC4CCCCC4C(=O)O)O","InChI=1S/C21H21N3O4/c25-18-12-17(13-6-2-1-3-7-13)22-19-15(10-11-24(18)19)20(26)23-16-9-5-4-8-14(16)21(27)28/h1-3,6-7,10-12,14,16,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t14-,16+/m1/s1","","2017-03-23","2017-09-22","(1R,2S)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid","2017-09-27"],["8ZQ","2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","C29 H29 Cl N6 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)c4ccccc4N)C(=O)NC5CCNCC5)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl","InChI=1S/C29H29ClN6O2S/c1-17-5-4-7-23(30)26(17)36-28(38)25-16-33-29(39-25)35-21-14-18(22-6-2-3-8-24(22)31)13-19(15-21)27(37)34-20-9-11-32-12-10-20/h2-8,13-16,20,32H,9-12,31H2,1H3,(H,33,35)(H,34,37)(H,36,38)","","2017-03-31","2017-06-02","2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","2017-06-07"],["Q0M","3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide","C19 H17 Br Cl N3 O5 S","c3(NS(c1cc(cc(c1O)Cl)Br)(=O)=O)c(c(C(NC)=O)cc(C2(CCC2)C#N)c3)O;CNC(=O)c1cc(cc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)c1O)C3(CCC3)C#N;CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N","InChI=1S/C19H17BrClN3O5S/c1-23-18(27)12-5-10(19(9-22)3-2-4-19)6-14(16(12)25)24-30(28,29)15-8-11(20)7-13(21)17(15)26/h5-8,24-26H,2-4H2,1H3,(H,23,27)","","2019-09-03","2019-11-29","3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide","2019-12-04"],["Q0N","4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile","C14 H17 N7 O","Nc1ncnc(c2cnn(CCN3CCOCC3)c2)c1C#N;c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N","InChI=1S/C14H17N7O/c15-7-12-13(17-10-18-14(12)16)11-8-19-21(9-11)2-1-20-3-5-22-6-4-20/h8-10H,1-6H2,(H2,16,17,18)","","2020-05-04","2021-05-07","4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile","2021-05-12"],["8ZR","~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine","C10 H14 Cu N4 S","[Cu].CN(C)C(=S)NN=Cc1cccc(C)n1;CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C","InChI=1S/C10H14N4S.Cu/c1-8-5-4-6-9(12-8)7-11-13-10(15)14(2)3;/h4-7H,1-3H3,(H,13,15);/b11-7+;","","2017-11-14","2018-08-31","~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine","2018-09-05"],["Q0O","(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one","C19 H14 O3","O=C1C=C(O)CC(/C=C2c3ccccc3c3ccccc23)O1;OC1=CC(=O)O[CH](C1)C=C2c3ccccc3c4ccccc24;c1ccc2c(c1)-c3ccccc3C2=CC4CC(=CC(=O)O4)O","InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1","","2023-05-05","2023-06-09","(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one","2023-06-14"],["8ZS","4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide","C17 H17 N3 O3","c1ccccc1c2cc(O)n3ccc(c3n2)C(NC(CO)C)=O;C[CH](CO)NC(=O)c1ccn2c(O)cc(nc12)c3ccccc3;CC(CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3","InChI=1S/C17H17N3O3/c1-11(10-21)18-17(23)13-7-8-20-15(22)9-14(19-16(13)20)12-5-3-2-4-6-12/h2-9,11,21-22H,10H2,1H3,(H,18,23)/t11-/m0/s1","","2017-03-23","2017-09-22","4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide","2017-09-27"],["Q0P","(2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid","C18 H20 N3 O8 P","C(/c1c(c(C)ncc1COP(O)(O)=O)O)=NC(CC(c2ccccc2N)=O)C(O)=O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CC(=O)c2ccccc2N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC(=O)c2ccccc2N)C(=O)O)O","InChI=1S/C18H20N3O8P/c1-10-17(23)13(11(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)6-16(22)12-4-2-3-5-14(12)19/h2-5,7-8,15,23H,6,9,19H2,1H3,(H,24,25)(H2,26,27,28)/b21-8+/t15-/m0/s1","","2019-09-03","2020-05-01","(2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid","2020-05-06"],["8ZT","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide","C25 H28 Cl N5 O3 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl","InChI=1S/C25H28ClN5O3S/c1-17-3-2-4-21(26)23(17)29-24(32)22-16-27-25(35-22)28-18-13-19(30-5-9-33-10-6-30)15-20(14-18)31-7-11-34-12-8-31/h2-4,13-16H,5-12H2,1H3,(H,27,28)(H,29,32)","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["8ZU","4-propylbenzoic acid","C10 H12 O2","CCCc1ccc(cc1)C(O)=O;CCCc1ccc(cc1)C(=O)O","InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)","","2017-11-15","2019-02-22","4-propylbenzoic acid","2019-02-27"],["Q0Q","4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile","C16 H14 N6","C[CH](n1cc(cn1)c2ncnc(N)c2C#N)c3ccccc3;CC(c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N","InChI=1S/C16H14N6/c1-11(12-5-3-2-4-6-12)22-9-13(8-21-22)15-14(7-17)16(18)20-10-19-15/h2-6,8-11H,1H3,(H2,18,19,20)/t11-/m1/s1","","2020-05-04","2021-05-07","4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile","2021-05-12"],["Q0R","2-[2,5-bis(fluoranyl)phenyl]pyrrolidine","C10 H11 F2 N","Fc1ccc(F)c(c1)[CH]2CCCN2;c1cc(c(cc1F)C2CCCN2)F","InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1","","2023-03-09","2023-03-17","2-[2,5-bis(fluoranyl)phenyl]pyrrolidine","2023-03-22"],["8ZV","2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate","C28 H38 N2 O9 S","C(CNC(c1cc(cc(OCCOC)c1)OCCOC)=O)OC(C2CCCCN2S(Cc3ccccc3)(=O)=O)=O;COCCOc1cc(OCCOC)cc(c1)C(=O)NCCOC(=O)[CH]2CCCCN2[S](=O)(=O)Cc3ccccc3;COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)C2CCCCN2S(=O)(=O)Cc3ccccc3","InChI=1S/C28H38N2O9S/c1-35-14-16-37-24-18-23(19-25(20-24)38-17-15-36-2)27(31)29-11-13-39-28(32)26-10-6-7-12-30(26)40(33,34)21-22-8-4-3-5-9-22/h3-5,8-9,18-20,26H,6-7,10-17,21H2,1-2H3,(H,29,31)/t26-/m0/s1","","2017-03-23","2018-03-09","2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate","2018-03-14"],["8ZW","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide","C22 H23 Cl N4 O4 S2","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)[S](C)(=O)=O)N4CCOCC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl","InChI=1S/C22H23ClN4O4S2/c1-14-4-3-5-18(23)20(14)26-21(28)19-13-24-22(32-19)25-15-10-16(27-6-8-31-9-7-27)12-17(11-15)33(2,29)30/h3-5,10-13H,6-9H2,1-2H3,(H,24,25)(H,26,28)","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q0S","5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide","C13 H11 Br F5 N O5 S3","c1(cc(ccc1O)Br)S(Nc2cc(S(F)(F)(F)(F)F)cc(c2)S(C)(=O)=O)(=O)=O;C[S](=O)(=O)c1cc(N[S](=O)(=O)c2cc(Br)ccc2O)cc(c1)[S](F)(F)(F)(F)F;CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br","InChI=1S/C13H11BrF5NO5S3/c1-26(22,23)10-5-9(6-11(7-10)28(15,16,17,18)19)20-27(24,25)13-4-8(14)2-3-12(13)21/h2-7,20-21H,1H3","","2019-09-03","2019-11-29","5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide","2019-12-04"],["8ZX","4-methoxybenzamide","C8 H9 N O2","COc1ccc(cc1)C(N)=O;COc1ccc(cc1)C(=O)N","InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)","","2017-11-15","2019-02-22","4-methoxybenzamide","2019-02-27"],["Q0T","ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate","C12 H12 N6 O2","CCOC(=O)Cn1cc(cn1)c2ncnc(N)c2C#N;CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N","InChI=1S/C12H12N6O2/c1-2-20-10(19)6-18-5-8(4-17-18)11-9(3-13)12(14)16-7-15-11/h4-5,7H,2,6H2,1H3,(H2,14,15,16)","","2020-05-04","2021-05-07","ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate","2021-05-12"],["8ZZ","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","C23 H23 Cl F N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CCNC[CH]4F)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4F)Cl","InChI=1S/C23H23ClFN5O2S/c1-13-4-2-7-16(24)20(13)30-22(32)19-12-27-23(33-19)28-15-6-3-5-14(10-15)21(31)29-18-8-9-26-11-17(18)25/h2-7,10,12,17-18,26H,8-9,11H2,1H3,(H,27,28)(H,29,31)(H,30,32)/t17-,18-/m1/s1","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q0U","[[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]methyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C25 H34 F3 N8 O14 P2","FC(F)(F)CNC(=O)N(C)Cc1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;CN(Cc1cc[n+](cc1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(=O)NCC(F)(F)F;CN(Cc1cc[n+](cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)NCC(F)(F)F","InChI=1S/C25H33F3N8O14P2/c1-34(24(41)30-9-25(26,27)28)6-12-2-4-35(5-3-12)22-18(39)16(37)13(48-22)7-46-51(42,43)50-52(44,45)47-8-14-17(38)19(40)23(49-14)36-11-33-15-20(29)31-10-32-21(15)36/h2-5,10-11,13-14,16-19,22-23,37-40H,6-9H2,1H3,(H4-,29,30,31,32,41,42,43,44,45)/p+1/t13-,14-,16-,17-,18-,19-,22-,23-/m1/s1","","2022-05-31","2022-09-16","1-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{[N-methyl(2,2,2-trifluoroethyl)carbamamido]methyl}pyridin-1-ium (non-preferred name)","2022-09-21"],["Q0W","4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile","C10 H10 N6","CCn1cc(cn1)c2ncnc(N)c2C#N;CCn1cc(cn1)c2c(c(ncn2)N)C#N","InChI=1S/C10H10N6/c1-2-16-5-7(4-15-16)9-8(3-11)10(12)14-6-13-9/h4-6H,2H2,1H3,(H2,12,13,14)","","2020-05-04","2021-05-07","4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile","2021-05-12"],["900","N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide","C28 H21 Cl N2 O4","Clc1ccc(cc1)NC(=O)c5cccc4cc(Oc2c3cc(OC)c(OC)cc3ncc2)ccc45;COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc5ccc(Cl)cc5)c3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl","InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)","","2007-11-02","2011-06-04","N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide",""],["Q0X","(Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one","C15 H12 O7","Oc1cc(O)c(c(O)c1)C(=O)C(O)=Cc2ccc(O)c(O)c2;c1cc(c(cc1C=C(C(=O)c2c(cc(cc2O)O)O)O)O)O","InChI=1S/C15H12O7/c16-8-5-11(19)14(12(20)6-8)15(22)13(21)4-7-1-2-9(17)10(18)3-7/h1-6,16-21H/b13-4-","taxifolin chalcone","2022-10-06","2022-12-31","(~{Z})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one","2022-11-23"],["901","2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM\nINO]-BENZOIC ACID","C32 H40 N4 O10 S","O=C(N(c1ccccc1C(=O)O)c2ccc(cc2CC)CC(C(=O)NCCCCC(=O)NC(C(=O)O)CCSC)NC(=O)C)C(=O)O;CCc1cc(C[CH](NC(C)=O)C(=O)NCCCCC(=O)N[CH](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c2ccccc2C(O)=O;CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)CC(C(=O)NCCCCC(=O)NC(CCSC)C(=O)O)NC(=O)C","InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24-/m0/s1","COMPOUND 19","2003-02-26","2020-06-17","2-[(4-{(2S)-2-(acetylamino)-3-[(5-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}-5-oxopentyl)amino]-3-oxopropyl}-2-ethylphenyl)(carboxycarbonyl)amino]benzoic acid",""],["902","{[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID","C25 H25 Br N6 O5 S2","O=S(=O)(N4CCC(Nc1cccc(c1)c2sc(c(OCC(=O)O)c2Br)c3nnnn3)CC4)Cc5ccccc5;OC(=O)COc1c(Br)c(sc1c2n[nH]nn2)c3cccc(NC4CCN(CC4)[S](=O)(=O)Cc5ccccc5)c3;c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br","InChI=1S/C25H25BrN6O5S2/c26-21-22(37-14-20(33)34)24(25-28-30-31-29-25)38-23(21)17-7-4-8-19(13-17)27-18-9-11-32(12-10-18)39(35,36)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,33,34)(H,28,29,30,31)","","2006-11-09","2011-06-04","{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid",""],["Q0Y","5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide","C13 H11 Br Cl N O4 S","c1c(Br)ccc(c1S(Nc2cc(ccc2O)Cl)(=O)=O)OC;COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(Cl)ccc2O;COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br","InChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-7-9(15)3-4-11(10)17/h2-7,16-17H,1H3","","2019-09-03","2019-11-29","5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide","2019-12-04"],["903","2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID","C35 H36 F N3 O9","O=C(O)C(F)(C(=O)O)c1c(C(=O)OC)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;COC(=O)c1cc(C[CH](NC(C)=O)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O)ccc1C(F)(C(O)=O)C(O)=O;CC(=O)NC(Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C35H36FN3O9/c1-21(40)37-29(19-23-13-16-27(26(18-23)32(43)48-2)35(36,33(44)45)34(46)47)30(41)38-28-10-6-7-17-39(31(28)42)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-29H,6-7,10,17,19-20H2,1-2H3,(H,37,40)(H,38,41)(H,44,45)(H,46,47)/t28-,29-/m0/s1","RU90395","2003-06-20","2021-03-01","{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(methoxycarbonyl)phenyl}(fluoro)propanedioic acid",""],["Q0Z","5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine","C14 H11 Cl F N5","Nc1ncnc(c1Cl)c2cnn(Cc3cccc(F)c3)c2;c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl","InChI=1S/C14H11ClFN5/c15-12-13(18-8-19-14(12)17)10-5-20-21(7-10)6-9-2-1-3-11(16)4-9/h1-5,7-8H,6H2,(H2,17,18,19)","","2020-05-04","2021-05-07","5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine","2021-05-12"],["Q10","6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine","C16 H21 N3 O2","O(c2cccc(OCc1nc(N)cc(c1)C)c2)CCCN;Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1;Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN","InChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)","","2013-03-28","2013-08-02","6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine","2013-08-07"],["904","N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide","C24 H22 F2 N6 O3 S","O=S(=O)(N(CC)C)Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cnc(nc4)C5CC5;CCN(C)[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4cnc(nc4)C5CC5;CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F","InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)","","2013-04-11","2015-10-23","N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide","2015-10-28"],["Q11","7-(2-methoxyphenyl)quinazoline-2,4-diamine","C15 H14 N4 O","n3c1c(ccc(c1)c2ccccc2OC)c(nc3N)N;COc1ccccc1c2ccc3c(N)nc(N)nc3c2;COc1ccccc1c2ccc3c(c2)nc(nc3N)N","InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)9-6-7-11-12(8-9)18-15(17)19-14(11)16/h2-8H,1H3,(H4,16,17,18,19)","","2011-07-22","2011-08-26","7-(2-methoxyphenyl)quinazoline-2,4-diamine",""],["905","(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE","C25 H28 F N5 O6 S","O=S(=O)(c1cccc(N)c1)NC(=O)C(c2cc(OCC)cc(OCC)c2F)Nc3ccc(C(=[N@H])N)c(O)c3;CCOc1cc(OCC)c(F)c(c1)[CH](Nc2ccc(C(N)=N)c(O)c2)C(=O)N[S](=O)(=O)c3cccc(N)c3;[H]N=C(c1ccc(cc1O)NC(c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)N","InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1","","2005-01-06","2011-06-04","(2R)-N-[(3-aminophenyl)sulfonyl]-2-[(4-carbamimidoyl-3-hydroxyphenyl)amino]-2-(3,5-diethoxy-2-fluorophenyl)ethanamide",""],["Q12","7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine","C17 H18 N4 O2","n3c1c(cc(c(c1)c2ccc(OC)c(OC)c2)C)c(nc3N)N;COc1ccc(cc1OC)c2cc3nc(N)nc(N)c3cc2C;Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N","InChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)","","2011-07-26","2011-08-26","7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine",""],["906","1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one","C23 H31 N5 O3","O=C2N(c1ccnc(N)c1)CCN2CCC(CCOc3ccc(C=NOCC)cc3)C;CCON=Cc1ccc(OCC[CH](C)CCN2CCN(C2=O)c3ccnc(N)c3)cc1;CCON=Cc1ccc(cc1)OCCC(C)CCN2CCN(C2=O)c3ccnc(c3)N","InChI=1S/C23H31N5O3/c1-3-31-26-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-27-13-14-28(23(27)29)20-8-11-25-22(24)16-20/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,24,25)/b26-17+/t18-/m0/s1","","2013-11-12","2014-02-07","1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one","2014-02-12"],["907","2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE","C16 H14 Br N3 O","Brc3cc(cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C;Cc1cc(Br)c([O-])c(c1)c2[nH]c3ccc(cc3c2)C(N)=[NH2+];Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N","InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)","CRA_9076","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-bromo-4-methylphenolate",""],["Q13","6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)","C18 H27 N5 O2","n1c(N)cc(cc1COCC(N)C(OCc2nc(N)cc(c2)C)C)C;C[CH](OCc1cc(C)cc(N)n1)[CH](N)COCc2cc(C)cc(N)n2;Cc1cc(nc(c1)N)COCC(C(C)OCc2cc(cc(n2)N)C)N","InChI=1S/C18H27N5O2/c1-11-4-14(22-17(20)6-11)8-24-10-16(19)13(3)25-9-15-5-12(2)7-18(21)23-15/h4-7,13,16H,8-10,19H2,1-3H3,(H2,20,22)(H2,21,23)/t13-,16-/m0/s1","","2013-04-25","2013-09-13","6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)","2013-09-18"],["Q14","6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine","C18 H27 N5 O2","n1c(N)cc(cc1COCCC(OCc2nc(N)cc(c2)C)CN)C;Cc1cc(N)nc(COCC[CH](CN)OCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)COCCC(CN)OCc2cc(cc(n2)N)C","InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1","","2013-04-25","2013-09-13","6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine","2013-09-18"],["908","4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide","C27 H30 N4 O4","COc1ccc(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34;CC(C)N1C(=O)C2CC=CCC2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC","InChI=1S/C27H30N4O4/c1-16(2)31-27(34)21-7-5-4-6-20(21)25(30-31)19-12-13-23(35-3)22(14-19)17-8-10-18(11-9-17)26(33)29-15-24(28)32/h4-5,8-14,16,20-21H,6-7,15H2,1-3H3,(H2,28,32)(H,29,33)/t20-,21+/m0/s1","","2016-06-08","2018-03-09","4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide","2018-03-14"],["Q15","4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine","C19 H25 N3 O2","O(c2cccc(OCc1nc(N)cc(c1)C)c2)CC3CCNCC3;Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1;Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3","InChI=1S/C19H25N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-4,9-11,15,21H,5-8,12-13H2,1H3,(H2,20,22)","","2013-03-28","2013-08-02","4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine","2013-08-07"],["909","N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide","C27 H30 N6 O2","CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5ccc(NC(C)=O)cc5;Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C","InChI=1S/C27H30N6O2/c1-16-24(17(2)34)25(19-5-7-20(8-6-19)29-18(3)35)26(28-16)27-30-22-10-9-21(15-23(22)31-27)33-13-11-32(4)12-14-33/h5-10,15,28H,11-14H2,1-4H3,(H,29,35)(H,30,31)","","2021-04-06","2022-04-01","~{N}-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-1~{H}-pyrrol-3-yl]phenyl]ethanamide","2022-04-06"],["Q16","6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine","C19 H27 N5 O2","n1c(cc(cc1N)C)COC2CC(NC2)COCc3nc(N)cc(c3)C;Cc1cc(N)nc(COC[CH]2C[CH](CN2)OCc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)COCC2CC(CN2)OCc3cc(cc(n3)N)C","InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1","","2013-08-22","2014-09-05","6-({[(3S,5R)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine","2014-04-02"],["90A","2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid","C13 H25 N O7","C(NC(C)=O)COCCOCCOCCOCCC(O)=O;CC(=O)NCCOCCOCCOCCOCCC(O)=O;CC(=O)NCCOCCOCCOCCOCCC(=O)O","InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)","","2017-03-24","2024-09-27","2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid","2017-07-26"],["Q17","2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol","C17 H18 N4 O","n2c1c(cccc1)c(nc2c3ccccc3O)NCCCN;NCCCNc1nc(nc2ccccc12)c3ccccc3O;c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN","InChI=1S/C17H18N4O/c18-10-5-11-19-16-12-6-1-3-8-14(12)20-17(21-16)13-7-2-4-9-15(13)22/h1-4,6-9,22H,5,10-11,18H2,(H,19,20,21)","","2011-09-22","2012-04-06","2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol",""],["90B","2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","C23 H23 Br Cl N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(Br)cc(c3)C(=O)NC4CCNCC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl","InChI=1S/C23H23BrClN5O2S/c1-13-3-2-4-18(25)20(13)30-22(32)19-12-27-23(33-19)29-17-10-14(9-15(24)11-17)21(31)28-16-5-7-26-8-6-16/h2-4,9-12,16,26H,5-8H2,1H3,(H,27,29)(H,28,31)(H,30,32)","","2017-03-31","2017-06-02","2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","2017-06-07"],["Q18","(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one","C24 H24 N2 O3","O=C1c4ccc(O)c(c4O/C1=Cc3c2ccccc2nc3)CN5CCCCCC5;Oc1ccc2C(=O)C(Oc2c1CN3CCCCCC3)=Cc4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)C=C3C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O","InChI=1S/C24H24N2O3/c27-21-10-9-18-23(28)22(13-16-14-25-20-8-4-3-7-17(16)20)29-24(18)19(21)15-26-11-5-1-2-6-12-26/h3-4,7-10,13-14,25,27H,1-2,5-6,11-12,15H2/b22-13-","","2011-12-01","2012-08-03","(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one",""],["90C","4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol","C30 H36 N2 O2","CC(C)N1CCN(CC1)c2ccc(cc2)C(c3ccc(O)cc3)=C(CCCO)c4ccccc4;CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O","InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+","","2017-11-16","2018-12-21","4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol","2018-12-26"],["Q19","1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone","C17 H16 N4 O","O=C(c3cccc(c2c(cc1c(nc(nc1N)N)c2)C)c3)C;CC(=O)c1cccc(c1)c2cc3nc(N)nc(N)c3cc2C;Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N","InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)","","2011-07-26","2011-08-26","1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone",""],["90D","methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate","C30 H42 F N3 O4","CCc3cccc(c1c(cccc1F)C(CCCNC(=O)OC)(O)C2CCCN(C2)C(=O)CCCNC)c3;CCc1cccc(c1)c2c(F)cccc2[C](O)(CCCNC(=O)OC)[CH]3CCCN(C3)C(=O)CCCNC;CCc1cccc(c1)c2c(cccc2F)C(CCCNC(=O)OC)(C3CCCN(C3)C(=O)CCCNC)O","InChI=1S/C30H42FN3O4/c1-4-22-10-5-11-23(20-22)28-25(13-6-14-26(28)31)30(37,16-9-18-33-29(36)38-3)24-12-8-19-34(21-24)27(35)15-7-17-32-2/h5-6,10-11,13-14,20,24,32,37H,4,7-9,12,15-19,21H2,1-3H3,(H,33,36)/t24-,30+/m1/s1","","2017-03-24","2017-10-13","methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate","2017-10-18"],["Q1A","1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea","C23 H23 N5 O2","O=C(Nc1noc(c1)C(C)(C)C)Nc4ccc(c3c2ccnc(N)c2ccc3)cc4;CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cccc4c(N)nccc34)c1;CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N","InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)","","2013-11-08","2013-11-15","1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea","2013-11-20"],["90E","2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","C23 H22 Cl F2 N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CCNCC4(F)F)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4(F)F)Cl","InChI=1S/C23H22ClF2N5O2S/c1-13-4-2-7-16(24)19(13)31-21(33)17-11-28-22(34-17)29-15-6-3-5-14(10-15)20(32)30-18-8-9-27-12-23(18,25)26/h2-7,10-11,18,27H,8-9,12H2,1H3,(H,28,29)(H,30,32)(H,31,33)/t18-/m1/s1","","2017-03-31","2017-06-02","2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","2017-06-07"],["90F","~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide","C32 H36 Cl2 F N7 O3","CCC(=O)Nc1cc(cc(F)c1Nc2n[nH]c3ccc(O[CH](C)c4c(Cl)cncc4Cl)cc23)N5CCC(CC5)N6CCOCC6;CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)OC(C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6","InChI=1S/C32H36Cl2FN7O3/c1-3-29(43)37-28-15-21(41-8-6-20(7-9-41)42-10-12-44-13-11-42)14-26(35)31(28)38-32-23-16-22(4-5-27(23)39-40-32)45-19(2)30-24(33)17-36-18-25(30)34/h4-5,14-20H,3,6-13H2,1-2H3,(H,37,43)(H2,38,39,40)/t19-/m1/s1","","2021-12-28","2022-03-25","~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide","2022-03-30"],["Q1B","5-(trifluoromethyloxy)-1,3-dihydroindol-2-one","C9 H6 F3 N O2","FC(F)(F)Oc1ccc2NC(=O)Cc2c1;c1cc2c(cc1OC(F)(F)F)CC(=O)N2","InChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)","","2020-05-05","2024-09-27","5-(trifluoromethyloxy)-1,3-dihydroindol-2-one","2021-05-12"],["Q1C","2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide","C14 H21 N3 O","O=C(CN1CCC(C)CC1)Nc1cnccc1C;CC1CCN(CC1)CC(=O)Nc2cnccc2C;Cc1ccncc1NC(=O)CN2CCC(CC2)C","InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18)","","2023-08-18","2023-11-03","2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["90G","N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide","C11 H10 Cl N3 O S","O=C(CS)Nc1cc(nn1)c2ccc(cc2)Cl;SCC(=O)Nc1[nH]nc(c1)c2ccc(Cl)cc2;c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl","InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)","","2017-03-24","2017-07-21","N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide","2017-07-26"],["Q1D","{4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid","C29 H39 B N2 O9 S","c1c(ccc(c1)B(O)O)S(N(CC(O)C(Cc2ccccc2)NC(OC5C3COC4C(C3)C5CO4)=O)CC(C)C)(=O)=O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc(cc5)B(O)O;B(c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(C(Cc2ccccc2)NC(=O)OC3C4CC5C3COC5OC4)O)(O)O","InChI=1S/C29H39BN2O9S/c1-18(2)14-32(42(37,38)22-10-8-21(9-11-22)30(35)36)15-26(33)25(12-19-6-4-3-5-7-19)31-29(34)41-27-20-13-23-24(27)17-40-28(23)39-16-20/h3-11,18,20,23-28,33,35-36H,12-17H2,1-2H3,(H,31,34)/t20-,23-,24-,25+,26-,27+,28+/m1/s1","","2019-09-04","2019-10-04","{4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid","2019-10-09"],["90H","(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C25 H38 F3 N5 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C3(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O)C","InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1","","2021-10-04","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-10-05"],["Q1E","~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide","C13 H19 N7 O3 S","CNC(=O)CC[S](=O)(=O)N1CCN(CC1)c2ccc3nncn3n2;CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2","InChI=1S/C13H19N7O3S/c1-14-13(21)4-9-24(22,23)19-7-5-18(6-8-19)12-3-2-11-16-15-10-20(11)17-12/h2-3,10H,4-9H2,1H3,(H,14,21)","","2020-05-05","2021-05-07","~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide","2021-05-12"],["90I","benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate","C29 H36 N4 O6","O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4;c1ccc(cc1)CCNC(=O)C(C(CC2CCNC2=O)NC(=O)C3CCCN3C(=O)OCc4ccccc4)O","InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1","(phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate","2021-11-10","2024-09-27","(phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate","2022-11-23"],["90J","N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide","C11 H10 F N3 O S","c2c(c1ccc(F)cc1)c(nn2)NC(=O)CS;Fc1ccc(cc1)c2c[nH]nc2NC(=O)CS;c1cc(ccc1c2c[nH]nc2NC(=O)CS)F","InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-13-15-11(9)14-10(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)","","2017-03-24","2017-07-21","N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide","2017-07-26"],["Q1F","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C26 H36 F3 N8 O14 P2","FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;C[CH](N(C)C(=O)NCC(F)(F)F)c1cc[n+](cc1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(c1cc[n+](cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)N(C)C(=O)NCC(F)(F)F","InChI=1S/C26H35F3N8O14P2/c1-12(35(2)25(42)31-9-26(27,28)29)13-3-5-36(6-4-13)23-19(40)17(38)14(49-23)7-47-52(43,44)51-53(45,46)48-8-15-18(39)20(41)24(50-15)37-11-34-16-21(30)32-10-33-22(16)37/h3-6,10-12,14-15,17-20,23-24,38-41H,7-9H2,1-2H3,(H4-,30,31,32,33,42,43,44,45,46)/p+1/t12-,14+,15+,17+,18+,19+,20+,23+,24+/m0/s1","","2022-05-31","2022-09-16","1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name)","2022-09-21"],["Q1G","5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide","C17 H15 Br N2 O4 S","c1(c(ccc(c1)Br)O)S(Nc3cc(C2(CCC2)C#N)ccc3O)(=O)=O;Oc1ccc(cc1N[S](=O)(=O)c2cc(Br)ccc2O)C3(CCC3)C#N;c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O","InChI=1S/C17H15BrN2O4S/c18-12-3-5-15(22)16(9-12)25(23,24)20-13-8-11(2-4-14(13)21)17(10-19)6-1-7-17/h2-5,8-9,20-22H,1,6-7H2","","2019-09-06","2019-11-29","5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide","2019-12-04"],["90K","2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","C24 H20 Cl N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)Nc4cccc(N)c4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl","InChI=1S/C24H20ClN5O2S/c1-14-5-2-10-19(25)21(14)30-23(32)20-13-27-24(33-20)29-17-8-3-6-15(11-17)22(31)28-18-9-4-7-16(26)12-18/h2-13H,26H2,1H3,(H,27,29)(H,28,31)(H,30,32)","","2017-03-31","2017-06-02","2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","2017-06-07"],["Q1H","1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine","C13 H10 F3 N3 O","Nc1nc2cc(ccc2n1Cc3occc3)C(F)(F)F;c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F","InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-4-11-10(6-8)18-12(17)19(11)7-9-2-1-5-20-9/h1-6H,7H2,(H2,17,18)","","2020-05-05","2021-05-07","1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine","2021-05-12"],["90L","(1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e\nthenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol","C29 H48 O4","C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C=CC3=C[CH](O)[CH](CCCO)[CH](O)C3;CC(CCCC(C)(C)O)C1CCC2C1(CCC=C2C=CC3=CC(C(C(C3)O)CCCO)O)C","InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h9,11-12,18,20,23-27,30-33H,5-8,10,13-17,19H2,1-4H3/b12-11+/t20-,23+,24-,25-,26-,27-,29-/m1/s1","(1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl\n}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol","2017-11-22","2020-06-17","(1~{R},2~{R},3~{R})-5-[(~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3~{a},6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol","2018-04-11"],["Q1I","(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine","C22 H28 N6","CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1;CC(C)N(C)c1nc(C2CCCC2)c(C)c(c3ccccc3)c1c4[nH]nnn4;Cc1c(c(c(nc1C2CCCC2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4","InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27)","","2023-05-05","2023-06-09","(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine","2023-06-14"],["90M","N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide","C12 H12 F N3 O S","n2c(c(c(c1ccc(cc1)F)n2)C)NC(=O)CS;Cc1c([nH]nc1c2ccc(F)cc2)NC(=O)CS;Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F","InChI=1S/C12H12FN3OS/c1-7-11(8-2-4-9(13)5-3-8)15-16-12(7)14-10(17)6-18/h2-5,18H,6H2,1H3,(H2,14,15,16,17)","","2017-03-24","2017-07-21","N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide","2017-07-26"],["Q1J","5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide","C19 H16 Br N O4 S","c1(ccc(c(c1)S(Nc3c(ccc(c2ccccc2)c3)O)(=O)=O)OC)Br;COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(ccc2O)c3ccccc3;COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br","InChI=1S/C19H16BrNO4S/c1-25-18-10-8-15(20)12-19(18)26(23,24)21-16-11-14(7-9-17(16)22)13-5-3-2-4-6-13/h2-12,21-22H,1H3","","2019-09-06","2019-11-29","5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide","2019-12-04"],["90N","2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","C22 H19 Cl N8 O2 S","Cc1nc(N)nc(NC(=O)c2cccc(Nc3sc(cn3)C(=O)Nc4c(C)cccc4Cl)c2)n1;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl","InChI=1S/C22H19ClN8O2S/c1-11-5-3-8-15(23)17(11)29-19(33)16-10-25-22(34-16)28-14-7-4-6-13(9-14)18(32)30-21-27-12(2)26-20(24)31-21/h3-10H,1-2H3,(H,25,28)(H,29,33)(H3,24,26,27,30,31,32)","","2017-03-31","2017-06-02","2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","2017-06-07"],["90O","(1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol","C29 H48 O4","C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C=CC3=C[CH](O)[CH](CCCO)[CH](O)C3;CC(CCCC(C)(C)O)C1CCC2C1(CCC=C2C=CC3=CC(C(C(C3)O)CCCO)O)C","InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h9,11-12,18,20,23-27,30-33H,5-8,10,13-17,19H2,1-4H3/b12-11+/t20-,23-,24-,25-,26-,27-,29-/m1/s1","(1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol","2017-11-22","2021-03-13","(1~{R},2~{S},3~{R})-5-[(~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3~{a},6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol","2018-04-11"],["Q1K","6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine","C10 H14 N6 O2 S","C[S](=O)(=O)N1CCN(CC1)c2ccc3nncn3n2;CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2","InChI=1S/C10H14N6O2S/c1-19(17,18)15-6-4-14(5-7-15)10-3-2-9-12-11-8-16(9)13-10/h2-3,8H,4-7H2,1H3","","2020-05-05","2021-05-07","6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine","2021-05-12"],["Q1L","  (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C24 H20 F3 N7 O4 S","Cc1sc2cc(ccc2n1)n3ncnc3[CH]4O[CH](CO)[CH](O)[CH]([CH]4O)n5cc(nn5)c6cc(F)c(F)c(F)c6;Cc1nc2ccc(cc2s1)n3c(ncn3)C4C(C(C(C(O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O","InChI=1S/C24H20F3N7O4S/c1-10-30-15-3-2-12(6-18(15)39-10)34-24(28-9-29-34)23-22(37)20(21(36)17(8-35)38-23)33-7-16(31-32-33)11-4-13(25)19(27)14(26)5-11/h2-7,9,17,20-23,35-37H,8H2,1H3/t17-,20+,21+,22-,23-/m1/s1","","2023-03-10","2024-03-01","(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2024-03-06"],["90P","N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine","C24 H37 N5 O2","c3(nc(NC1CCN(CC)CC1)c2cc(OC)c(cc2n3)OC)N(C)C4CCCCC4;CCN1CCC(CC1)Nc2nc(nc3cc(OC)c(OC)cc23)N(C)C4CCCCC4;CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC","InChI=1S/C24H37N5O2/c1-5-29-13-11-17(12-14-29)25-23-19-15-21(30-3)22(31-4)16-20(19)26-24(27-23)28(2)18-9-7-6-8-10-18/h15-18H,5-14H2,1-4H3,(H,25,26,27)","","2017-03-24","2018-03-16","N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine","2018-03-21"],["Q1M","3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid","C14 H11 Br Cl N O6 S","c1c(cc(C(=O)O)c(c1NS(c2c(OC)ccc(c2)Br)(=O)=O)O)Cl;COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(Cl)cc(C(O)=O)c2O;COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br","InChI=1S/C14H11BrClNO6S/c1-23-11-3-2-7(15)4-12(11)24(21,22)17-10-6-8(16)5-9(13(10)18)14(19)20/h2-6,17-18H,1H3,(H,19,20)","","2019-09-06","2019-11-29","3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid","2019-12-04"],["90Q","(2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","C15 H11 Cl O5","Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3;c1cc(c(cc1C2CC(=O)c3c(cc(cc3O2)O)O)Cl)O","InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1","","2021-12-31","2022-12-09","(2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","2022-12-14"],["90R","5-hydroxy-2-methylnaphthalene-1,4-dione","C11 H8 O3","O=C2c1c(cccc1O)C(C(C)=C2)=O;CC1=CC(=O)c2c(O)cccc2C1=O;CC1=CC(=O)c2c(cccc2O)C1=O","InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3","plumbagin","2017-11-22","2020-06-17","5-hydroxy-2-methylnaphthalene-1,4-dione","2018-11-21"],["Q1N","(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide","C20 H27 N7 O5 S","Cc1cc(CC(=O)N[CH](C[S](=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N)on1;Cc1cc(on1)CC(=O)NC(CS(=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N","InChI=1S/C20H27N7O5S/c1-15-12-16(32-25-15)13-19(28)24-17(20(29)23-7-5-21)14-33(30,31)27-10-8-26(9-11-27)18-4-2-3-6-22-18/h2-6,12,17,21H,7-11,13-14H2,1H3,(H,23,29)(H,24,28)/b21-5-/t17-/m0/s1","","2020-05-05","2024-09-27","(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide","2021-05-12"],["Q1O","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C26 H36 F3 N8 O15 P2","FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c3NC(N)=NC4=O)C(O)C2O)C(O)C1O;C[CH](N(C)C(=O)NCC(F)(F)F)c1cc[n+](cc1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N=C(N)Nc45)[CH](O)[CH]2O;CC(c1cc[n+](cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4NC(=NC5=O)N)O)O)O)O)N(C)C(=O)NCC(F)(F)F","InChI=1S/C26H35F3N8O15P2/c1-11(35(2)25(43)31-9-26(27,28)29)12-3-5-36(6-4-12)22-18(40)16(38)13(50-22)7-48-53(44,45)52-54(46,47)49-8-14-17(39)19(41)23(51-14)37-10-32-15-20(37)33-24(30)34-21(15)42/h3-6,10-11,13-14,16-19,22-23,38-41H,7-9H2,1-2H3,(H5-,30,31,33,34,42,43,44,45,46,47)/p+1/t11-,13+,14+,16+,17+,18+,19+,22+,23+/m0/s1","","2022-05-31","2022-09-16","1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name)","2022-09-21"],["90S","[(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone","C14 H18 Br N5 O","c3(cc(C(=O)N2CCC(n1cc(cn1)Br)C2)nn3)C(C)C;CC(C)c1cc([nH]n1)C(=O)N2CC[CH](C2)n3cc(Br)cn3;CC(C)c1cc([nH]n1)C(=O)N2CCC(C2)n3cc(cn3)Br","InChI=1S/C14H18BrN5O/c1-9(2)12-5-13(18-17-12)14(21)19-4-3-11(8-19)20-7-10(15)6-16-20/h5-7,9,11H,3-4,8H2,1-2H3,(H,17,18)/t11-/m0/s1","","2017-03-24","2017-05-05","[(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone","2017-05-10"],["Q1P","3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid","C16 H13 Br F N O6 S","c2(C1CC1)cc(c(c(C(O)=O)c2F)O)NS(=O)(=O)c3cc(ccc3O)Br;OC(=O)c1c(O)c(N[S](=O)(=O)c2cc(Br)ccc2O)cc(C3CC3)c1F;c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O","InChI=1S/C16H13BrFNO6S/c17-8-3-4-11(20)12(5-8)26(24,25)19-10-6-9(7-1-2-7)14(18)13(15(10)21)16(22)23/h3-7,19-21H,1-2H2,(H,22,23)","","2019-09-06","2019-11-29","3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid","2019-12-04"],["90T","(3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid","C23 H21 Cl N4 O4 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N4CC[CH](C4)C(O)=O)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CCC(C4)C(=O)O)Cl","InChI=1S/C23H21ClN4O4S/c1-13-4-2-7-17(24)19(13)27-20(29)18-11-25-23(33-18)26-16-6-3-5-14(10-16)21(30)28-9-8-15(12-28)22(31)32/h2-7,10-11,15H,8-9,12H2,1H3,(H,25,26)(H,27,29)(H,31,32)/t15-/m0/s1","","2017-03-31","2017-06-02","(3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid","2017-06-07"],["Q1Q","(6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine","C14 H15 N3","N[CH]1CCc2nc(ncc2C1)c3ccccc3;c1ccc(cc1)c2ncc3c(n2)CCC(C3)N","InChI=1S/C14H15N3/c15-12-6-7-13-11(8-12)9-16-14(17-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8,15H2/t12-/m1/s1","","2020-05-05","2021-05-07","(6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine","2021-05-12"],["90U","benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","C24 H32 N4 O6","NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C(=O)OCc4ccccc4;CC1(C2C1C(N(C2)C(=O)OCc3ccccc3)C(=O)NC(CC4CCNC4=O)C(C(=O)N)O)C","InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1","","2021-10-04","2024-09-27","benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","2022-10-05"],["Q1R","5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide","C21 H17 Cl N2 O2","Clc1cc(cc(c1)C(=O)Nc2ccccc2)C(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)c2cc(cc(c2)Cl)C(=O)Nc3ccccc3","InChI=1S/C21H17ClN2O2/c22-18-12-16(20(25)23-14-15-7-3-1-4-8-15)11-17(13-18)21(26)24-19-9-5-2-6-10-19/h1-13H,14H2,(H,23,25)(H,24,26)","","2022-10-11","2022-12-23","5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide","2022-12-28"],["90V","N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide","C15 H22 N4 O2","c1(C(C)C)nnc(c1)C(N2CCC(C2)NC(C3CC3)=O)=O;CC(C)c1cc([nH]n1)C(=O)N2CC[CH](C2)NC(=O)C3CC3;CC(C)c1cc([nH]n1)C(=O)N2CCC(C2)NC(=O)C3CC3","InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1","","2017-03-24","2017-05-05","N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide","2017-05-10"],["Q1S","N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine","C20 H21 N5 O2","c4(Nc1cc([N+]([O-])=O)ccc1N2CCN(CC2)C)c3ccccc3ccn4;CN1CCN(CC1)c2ccc(cc2Nc3nccc4ccccc34)[N+]([O-])=O;CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-]","InChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)19-7-6-16(25(26)27)14-18(19)22-20-17-5-3-2-4-15(17)8-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22)","","2019-09-06","2019-11-29","N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine","2019-12-04"],["90W","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","C24 H25 Cl N4 O3 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CC[CH](O)CC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl","InChI=1S/C24H25ClN4O3S/c1-14-4-2-7-19(25)21(14)29-23(32)20-13-26-24(33-20)28-17-6-3-5-15(12-17)22(31)27-16-8-10-18(30)11-9-16/h2-7,12-13,16,18,30H,8-11H2,1H3,(H,26,28)(H,27,31)(H,29,32)/t16-,18-","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q1T","3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE","C19 H25 N5","CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N;Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N","InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)","","2015-03-22","2015-06-19","3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzenecarbonitrile","2015-06-24"],["90X","(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide","C29 H34 Cl2 N4 O6","O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4;c1ccc(cc1)CCNC(=O)C(C(CC2CCNC2=O)NC(=O)C3CCCN3C(=O)COc4ccc(cc4Cl)Cl)O","InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1","(2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide","2021-11-10","2024-09-27","(2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide","2022-11-23"],["Q1U","2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide","C18 H15 Cl N2 O2","Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC;COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1;COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)","","2023-08-18","2023-11-03","2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide","2023-11-08"],["90Z","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","C27 H32 Cl N5 O3 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NC4CC(C)(C)N(O)C(C)(C)C4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl","InChI=1S/C27H32ClN5O3S/c1-16-8-6-11-20(28)22(16)32-24(35)21-15-29-25(37-21)31-18-10-7-9-17(12-18)23(34)30-19-13-26(2,3)33(36)27(4,5)14-19/h6-12,15,19,36H,13-14H2,1-5H3,(H,29,31)(H,30,34)(H,32,35)","","2017-03-31","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q1V","2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium","C21 H26 N13 O12 P2","OP([n+]4c(n(P(O)(OC1COC(C1O)n2c3c(nc2)C(NC(N)=N3)=O)=O)cc4)N)(OC5C(C(OC5)n7c6N=C(N)NC(=O)c6nc7)O)=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)n4cc[n+](c4N)[P](O)(=O)O[CH]5CO[CH]([CH]5O)n6cnc7C(=O)NC(=Nc67)N)[CH]3O;c1c[n+](c(n1P(=O)(O)OC2COC(C2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)OC5COC(C5O)n6cnc7c6N=C(NC7=O)N","InChI=1S/C21H25N13O12P2/c22-19-27-13-9(15(37)29-19)25-5-31(13)17-11(35)7(3-43-17)45-47(39,40)33-1-2-34(21(33)24)48(41,42)46-8-4-44-18(12(8)36)32-6-26-10-14(32)28-20(23)30-16(10)38/h1-2,5-8,11-12,17-18,24,35-36H,3-4H2,(H8,22,23,27,28,29,30,37,38,39,40,41,42)/p+1/t7-,8-,11+,12+,17+,18+/m0/s1","","2019-09-06","2020-12-04","2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium","2020-12-09"],["910","5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID","C20 H16 Br N O5 S","O=C(O)c3sc(c1cc(ccc1)NCc2ccccc2)c(Br)c3OCC(=O)O;OC(=O)COc1c(Br)c(sc1C(O)=O)c2cccc(NCc3ccccc3)c2;c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br","InChI=1S/C20H16BrNO5S/c21-16-17(27-11-15(23)24)19(20(25)26)28-18(16)13-7-4-8-14(9-13)22-10-12-5-2-1-3-6-12/h1-9,22H,10-11H2,(H,23,24)(H,25,26)","","2006-06-20","2011-06-04","5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid",""],["Q1W","2,2-dimethyl-4-oxidanylidene-pentanedioic acid","C7 H10 O5","CC(C)(CC(=O)C(O)=O)C(O)=O;CC(C)(CC(=O)C(=O)O)C(=O)O","InChI=1S/C7H10O5/c1-7(2,6(11)12)3-4(8)5(9)10/h3H2,1-2H3,(H,9,10)(H,11,12)","","2020-05-06","2021-03-12","2,2-dimethyl-4-oxidanylidene-pentanedioic acid","2021-03-17"],["911","(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)","C2 H8 O7 P2","O=P(O)(O)C(O)(C)P(=O)(O)O;CC(O)([P](O)(O)=O)[P](O)(O)=O;CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)","Etidronic acid","2011-06-10","2020-06-17","(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)",""],["Q1X","[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C26 H37 F3 N8 O17 P3","FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2O)C(O)C1O;C[CH](N(C)C(=O)NCC(F)(F)F)c1cc[n+](cc1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(c1cc[n+](cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N(C)C(=O)NCC(F)(F)F","InChI=1S/C26H36F3N8O17P3/c1-12(35(2)25(41)31-9-26(27,28)29)13-3-5-36(6-4-13)23-19(40)17(38)14(51-23)7-49-56(45,46)54-57(47,48)50-8-15-18(39)20(53-55(42,43)44)24(52-15)37-11-34-16-21(30)32-10-33-22(16)37/h3-6,10-12,14-15,17-20,23-24,38-40H,7-9H2,1-2H3,(H6-,30,31,32,33,41,42,43,44,45,46,47,48)/p+1/t12-,14+,15+,17+,18+,19+,20+,23+,24+/m0/s1","","2022-05-31","2022-09-16","1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name)","2022-09-21"],["912","(2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide","C25 H27 Cl N4 O3 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CC[C](C)(O)CC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)(C)O)Cl","InChI=1S/C25H27ClN4O3S/c1-15-5-3-8-19(26)21(15)30-23(32)20-14-27-24(34-20)29-18-7-4-6-16(13-18)22(31)28-17-9-11-25(2,33)12-10-17/h3-8,13-14,17,33H,9-12H2,1-2H3,(H,27,29)(H,28,31)(H,30,32)/t17-,25-","","2017-03-31","2025-10-07","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q1Y","5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide","C28 H27 F N4 O4","c6(OCC1C(CCNC1)c2ccc(c(c2)C(NCc4c3c(cccc3)nn4)=O)F)cc5c(OCO5)cc6;Fc1ccc(cc1C(=O)NCc2[nH]nc3ccccc23)[CH]4CCNC[CH]4COc5ccc6OCOc6c5;c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)C4CCNCC4COc5ccc6c(c5)OCO6","InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1","","2019-09-06","2020-04-10","5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide","2020-04-15"],["913","(3-PYRAZOL-1-YLPHENYL)METHANAMINE","C10 H11 N3","n1cccn1c2cccc(c2)CN;NCc1cccc(c1)n2cccn2;c1cc(cc(c1)n2cccn2)CN","InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2","FRAGMENT CC32913","2011-12-08","2020-06-17","1-[3-(1H-pyrazol-1-yl)phenyl]methanamine",""],["914","[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic\nacid","C10 H13 F N5 O11 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C3F;c1nc(c2c(n1)n(cn2)C3C(=CC(O3)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)N","InChI=1S/C10H13FN5O11P3/c11-5-1-6(24-4-28(17,18)26-30(22,23)27-29(19,20)21)25-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H,17,18)(H,22,23)(H2,12,13,14)(H2,19,20,21)/t6-,10+/m0/s1","[(5-(6-amino-purin-9-yl)-4-fluoro-2,5-dihydro-furan-2-yloxymethyl)phosphonate-diphosphate]","2009-11-24","2020-06-17","[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid",""],["Q1Z","(3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid","C6 H8 O5","C[CH](CC(O)=O)C(=O)C(O)=O;CC(CC(=O)O)C(=O)C(=O)O","InChI=1S/C6H8O5/c1-3(2-4(7)8)5(9)6(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11)/t3-/m1/s1","","2020-05-06","2021-03-12","(3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid","2021-03-17"],["Q20","3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde","C18 H18 N4 O2","O=Cc3cc(c2c(cc1c(nc(nc1N)N)c2)C)c(OCC)cc3;CCOc1ccc(C=O)cc1c2cc3nc(N)nc(N)c3cc2C;CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O","InChI=1S/C18H18N4O2/c1-3-24-16-5-4-11(9-23)7-13(16)12-8-15-14(6-10(12)2)17(19)22-18(20)21-15/h4-9H,3H2,1-2H3,(H4,19,20,21,22)","","2011-07-26","2011-08-26","3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde",""],["915","(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE","C14 H19 F N2 O5 S","Fc1ccc(cc1C)S(=O)(=O)NC(C(=O)NO)C2CCOCC2;Cc1cc(ccc1F)[S](=O)(=O)N[CH](C2CCOCC2)C(=O)NO;Cc1cc(ccc1F)S(=O)(=O)NC(C2CCOCC2)C(=O)NO","InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1","","2005-02-14","2011-06-04","(2R)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-N-hydroxy-2-(tetrahydro-2H-pyran-4-yl)ethanamide",""],["Q21","(2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide","C25 H19 N3 O3","O=C(Nc1cc2nc(oc2cc1)c3ccncc3)C(Oc5c4ccccc4ccc5)C;C[CH](Oc1cccc2ccccc12)C(=O)Nc3ccc4oc(nc4c3)c5ccncc5;CC(C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5","InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1","","2013-01-28","2013-03-29","(2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide","2013-04-03"],["916","N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide","C26 H38 N2 O3 S","O=C(NC(Cc1ccccc1)C(O)CNC2c3cc(sc3OC(C2)(C)C)CC(C)(C)C)C;CC(=O)N[CH](Cc1ccccc1)[CH](O)CN[CH]2CC(C)(C)Oc3sc(CC(C)(C)C)cc23;CC(=O)NC(Cc1ccccc1)C(CNC2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O","InChI=1S/C26H38N2O3S/c1-17(29)28-21(12-18-10-8-7-9-11-18)23(30)16-27-22-15-26(5,6)31-24-20(22)13-19(32-24)14-25(2,3)4/h7-11,13,21-23,27,30H,12,14-16H2,1-6H3,(H,28,29)/t21-,22-,23+/m0/s1","","2012-05-22","2012-10-26","N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide","2012-10-26"],["Q22","(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol","C21 H19 N7 O","Oc1cc2c(cc1)N(C3C=CCC=C3C=C2)Cc4nc5c(nc4)nc(nc5N)N;Nc1nc(N)c2nc(CN3[CH]4C=CCC=C4C=Cc5cc(O)ccc35)cnc2n1;c1cc2c(cc1O)C=CC3=CCC=CC3N2Cc4cnc5c(n4)c(nc(n5)N)N","InChI=1S/C21H19N7O/c22-19-18-20(27-21(23)26-19)24-10-14(25-18)11-28-16-4-2-1-3-12(16)5-6-13-9-15(29)7-8-17(13)28/h2-10,16,29H,1,11H2,(H4,22,23,24,26,27)/t16-/m0/s1","","2008-09-09","2013-06-06","(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol",""],["917","N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide","C15 H15 N3 O3 S","c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O;CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(cc2)c3scnc3;CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)c3cncs3","InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1","Llinezolid-114","2017-03-24","2021-03-01","N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide","2017-09-20"],["918","5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine","C18 H21 F3 N6 O","Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F;c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F","InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-1-2-4-26)25-17(24-14)27-5-7-28-8-6-27/h9-11H,1-8H2,(H2,22,23)","","2016-10-31","2017-02-17","5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine","2017-02-22"],["Q23","(3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate","C10 H10 O5 S2","O=S2(=O)C=CC(OS(=O)(=O)c1ccccc1)C2;O=[S]1(=O)C[CH](O[S](=O)(=O)c2ccccc2)C=C1;c1ccc(cc1)S(=O)(=O)OC2CS(=O)(=O)C=C2","InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2/t9-/m1/s1","","2011-04-07","2012-04-20","(3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate",""],["Q24","quinazoline-2,4-diamine","C8 H8 N4","n2c1c(cccc1)c(nc2N)N;Nc1nc(N)c2ccccc2n1;c1ccc2c(c1)c(nc(n2)N)N","InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)","","2011-04-07","2012-01-13","quinazoline-2,4-diamine",""],["919","4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide","C30 H28 F N7 O3","O=C(NC)c5nccc(Oc1ccc(c(F)c1)NC(=O)Nc4cc(nn4c3ccc2ncccc2c3)C(C)(C)C)c5;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1;CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC","InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)","DCC-2036","2011-02-18","2020-06-17","4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide",""],["Q25","6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one","C18 H20 Cl N3 O S","CCCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1;CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl","InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3","","2020-05-06","2020-09-11","6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one","2020-09-16"],["91A","6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one","C18 H23 N3 O S","C(C(N2CCc3c(c1cccnc1)csc3C2=O)CN)C(C)C;CC(C)C[CH](CN)N1CCc2c(scc2c3cccnc3)C1=O;CC(C)CC(CN)N1CCc2c(csc2C1=O)c3cccnc3","InChI=1S/C18H23N3OS/c1-12(2)8-14(9-19)21-7-5-15-16(11-23-17(15)18(21)22)13-4-3-6-20-10-13/h3-4,6,10-12,14H,5,7-9,19H2,1-2H3/t14-/m1/s1","","2017-03-27","2020-08-14","6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one","2020-08-19"],["Q26","N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide","C23 H23 N5 O3 S","O=S(=O)(Nc1cccc(c1)c4cc(c3ccc2c(nc(nc2N)N)c3)c(OCC)cc4)C;CCOc1ccc(cc1c2ccc3c(N)nc(N)nc3c2)c4cccc(N[S](C)(=O)=O)c4;CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C","InChI=1S/C23H23N5O3S/c1-3-31-21-10-8-15(14-5-4-6-17(11-14)28-32(2,29)30)12-19(21)16-7-9-18-20(13-16)26-23(25)27-22(18)24/h4-13,28H,3H2,1-2H3,(H4,24,25,26,27)","","2011-07-26","2011-08-26","N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide",""],["91B","1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE","C12 H19 N3","c2c(N1CCN(C)CC1)cc(cc2)CN;CN1CCN(CC1)c2cccc(CN)c2;CN1CCN(CC1)c2cccc(c2)CN","InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8,10,13H2,1H3","FRAGMENT CC35913","2011-12-08","2020-06-17","1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine",""],["91C","(2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","C15 H10 Cl2 O5","Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3;c1c(cc(c(c1Cl)O)Cl)C2CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1","","2021-12-31","2022-12-09","(2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","2022-12-14"],["Q27","7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine","C21 H20 N4 O","n4c1c(cc(c(c1)c3c2ccccc2ccc3OCC)C)c(nc4N)N;CCOc1ccc2ccccc2c1c3cc4nc(N)nc(N)c4cc3C;CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N","InChI=1S/C21H20N4O/c1-3-26-18-9-8-13-6-4-5-7-14(13)19(18)15-11-17-16(10-12(15)2)20(22)25-21(23)24-17/h4-11H,3H2,1-2H3,(H4,22,23,24,25)","","2011-07-26","2011-08-26","7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine",""],["91D","N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide","C26 H30 Cl F N6 O2","c4c1c(nc(NCCC(=O)N(C)C)nc1N2CCN(CC2)C(=O)CC)cc(c3c(F)cccc3)c4Cl;CCC(=O)N1CCN(CC1)c2nc(NCCC(=O)N(C)C)nc3cc(c(Cl)cc23)c4ccccc4F;CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl","InChI=1S/C26H30ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,29,30,31)","","2017-03-27","2024-09-27","N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide","2017-08-23"],["Q28","4-[3-(8-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PROPANAMIDO]-N-(QUINOLIN-8-YL)BENZAMIDE","C28 H23 N5 O3","Cc1cccc2C(=O)NC(=Nc12)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45;Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5","InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)","","2015-11-30","2016-12-09","4-[3-(8-methyl-4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-N-quinolin-8-yl-benzamide","2016-12-14"],["Q29","(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid","C14 H16 Cl2 O3","O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1;OC(=O)[CH]1CCCC[CH]1COc2ccc(Cl)c(Cl)c2;c1cc(c(cc1OCC2CCCCC2C(=O)O)Cl)Cl","InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1","","2023-05-05","2023-06-09","(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid","2023-06-14"],["91E","2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","C23 H26 Cl N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NCC(C)(C)CN)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl","InChI=1S/C23H26ClN5O2S/c1-14-6-4-9-17(24)19(14)29-21(31)18-11-26-22(32-18)28-16-8-5-7-15(10-16)20(30)27-13-23(2,3)12-25/h4-11H,12-13,25H2,1-3H3,(H,26,28)(H,27,30)(H,29,31)","","2017-03-31","2017-06-02","2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide","2017-06-07"],["91F","2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one","C15 H12 N2 O S","O=C2c3ccccc3N=C(c1ccc(SC)cc1)N2;CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C15H12N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)","","2013-06-20","2014-09-05","2-[4-(methylsulfanyl)phenyl]quinazolin-4(3H)-one","2013-10-30"],["Q2A","3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride","C25 H24 F I N6 O4 S2","C(C2CN(Cc1cccc(S(=O)(F)=O)c1)CCC2)n4c3ncnc(c3nc4Sc5c(cc6c(c5)OCO6)I)N;Nc1ncnc2n(C[CH]3CCCN(C3)Cc4cccc(c4)[S](F)(=O)=O)c(Sc5cc6OCOc6cc5I)nc12;c1cc(cc(c1)S(=O)(=O)F)CN2CCCC(C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6","InChI=1S/C25H24FIN6O4S2/c26-39(34,35)17-5-1-3-15(7-17)10-32-6-2-4-16(11-32)12-33-24-22(23(28)29-13-30-24)31-25(33)38-21-9-20-19(8-18(21)27)36-14-37-20/h1,3,5,7-9,13,16H,2,4,6,10-12,14H2,(H2,28,29,30)/t16-/m0/s1","","2019-09-10","2024-09-27","3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride","2020-02-19"],["91G","N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide","C30 H33 Cl N6 O3","N1(CCN(CC1)C(CC)=O)c5c2c(cc(c(Cl)c2)c3cc(O)cc4c3cccc4)nc(NCCC(=O)N(C)C)n5;CCC(=O)N1CCN(CC1)c2nc(NCCC(=O)N(C)C)nc3cc(c(Cl)cc23)c4cc(O)cc5ccccc45;CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl","InChI=1S/C30H33ClN6O3/c1-4-27(39)36-11-13-37(14-12-36)29-24-17-25(31)23(22-16-20(38)15-19-7-5-6-8-21(19)22)18-26(24)33-30(34-29)32-10-9-28(40)35(2)3/h5-8,15-18,38H,4,9-14H2,1-3H3,(H,32,33,34)","","2017-03-27","2024-09-27","N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide","2017-08-23"],["Q2B","3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole","C20 H16 N2 O3","[O-][N+](=O)C[CH](c1occc1)c2c([nH]c3ccccc23)c4ccccc4;c1ccc(cc1)c2c(c3ccccc3[nH]2)C(C[N+](=O)[O-])c4ccco4","InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2/t16-/m0/s1","","2023-03-13","2024-05-31","3-[(1~{S})-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole","2024-06-05"],["Q2C","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[5-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]-1,3-thiazol-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C37 H49 N8 O16 P2 S","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cc(sc3)c3ccc4N(C)C(=O)C=C(NC5CCC(OCCOC)CC5)c4c3)C(O)C2O)C(O)C1O;COCCO[CH]1CC[CH](CC1)NC2=CC(=O)N(C)c3ccc(cc23)c4sc[n+](c4)[CH]5O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O;CN1c2ccc(cc2C(=CC1=O)NC3CCC(CC3)OCCOC)c4c[n+](cs4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O","InChI=1S/C37H48N8O16P2S/c1-43-24-8-3-19(11-22(24)23(12-28(43)46)42-20-4-6-21(7-5-20)56-10-9-55-2)27-13-44(18-64-27)36-32(49)30(47)25(59-36)14-57-62(51,52)61-63(53,54)58-15-26-31(48)33(50)37(60-26)45-17-41-29-34(38)39-16-40-35(29)45/h3,8,11-13,16-18,20-21,25-26,30-33,36-37,47-50H,4-7,9-10,14-15H2,1-2H3,(H4-,38,39,40,42,46,51,52,53,54)/p+1/t20-,21+,25-,26-,30-,31-,32-,33-,36-,37-/m1/s1","","2022-05-31","2022-09-16","(5P)-3-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-(4-{[(1s,4S)-4-(2-methoxyethoxy)cyclohexyl]amino}-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)-1,3-thiazol-3-ium (non-preferred name)","2022-09-21"],["91H","4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid","C25 H25 Cl N4 O4 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CC[CH](CC4)C(O)=O)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl","InChI=1S/C25H25ClN4O4S/c1-14-4-2-7-19(26)21(14)30-23(32)20-13-27-25(35-20)29-18-6-3-5-16(12-18)22(31)28-17-10-8-15(9-11-17)24(33)34/h2-7,12-13,15,17H,8-11H2,1H3,(H,27,29)(H,28,31)(H,30,32)(H,33,34)/t15-,17-","","2017-03-31","2017-06-02","4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid","2017-06-07"],["Q2D","3-{[(3R)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride","C25 H24 F I N6 O4 S2","c12ncnc(c1nc(n2CC3CN(CCC3)Cc4cccc(c4)S(F)(=O)=O)Sc6c(cc5c(OCO5)c6)I)N;Nc1ncnc2n(C[CH]3CCCN(C3)Cc4cccc(c4)[S](F)(=O)=O)c(Sc5cc6OCOc6cc5I)nc12;c1cc(cc(c1)S(=O)(=O)F)CN2CCCC(C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6","InChI=1S/C25H24FIN6O4S2/c26-39(34,35)17-5-1-3-15(7-17)10-32-6-2-4-16(11-32)12-33-24-22(23(28)29-13-30-24)31-25(33)38-21-9-20-19(8-18(21)27)36-14-37-20/h1,3,5,7-9,13,16H,2,4,6,10-12,14H2,(H2,28,29,30)/t16-/m1/s1","","2019-09-10","2020-02-14","3-{[(3R)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride","2020-02-19"],["91I","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide","C25 H34 N4 O5","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CCc1ccccc1;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C(=O)CCc4ccccc4;CC1(C2C1C(N(C2)C(=O)CCc3ccccc3)C(=O)NC(CC4CCNC4=O)C(C(=O)N)O)C","InChI=1S/C25H34N4O5/c1-25(2)16-13-29(18(30)9-8-14-6-4-3-5-7-14)20(19(16)25)24(34)28-17(21(31)22(26)32)12-15-10-11-27-23(15)33/h3-7,15-17,19-21,31H,8-13H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t15-,16-,17-,19-,20-,21+/m0/s1","","2021-10-04","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-10-05"],["Q2E","(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal","C12 H14 N2 O2 S","CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O;CSc1c(c2ccccc2[nH]1)CC(C(=O)O)N","InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1","","2020-05-07","2024-09-27","(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid","2021-05-19"],["91J","2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one","C17 H24 N4 O S","C1CN(CCC1CNC3=Nc2sc4CCCCc4c2C(N3)=O)C;CN1CCC(CC1)CNC2=Nc3sc4CCCCc4c3C(=O)N2;CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2","InChI=1S/C17H24N4OS/c1-21-8-6-11(7-9-21)10-18-17-19-15(22)14-12-4-2-3-5-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20,22)","","2017-03-27","2017-05-05","2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one","2017-05-10"],["Q2F","~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide","C26 H34 F N5 O6 S","CCn1cnc2N(C[CH]3CC[CH](CC3)CN[S](=O)(=O)c4ccc(OC5CCOCC5)c(F)c4)C(=O)NC(=O)c12;CCn1cnc2c1C(=O)NC(=O)N2CC3CCC(CC3)CNS(=O)(=O)c4ccc(c(c4)F)OC5CCOCC5","InChI=1S/C26H34FN5O6S/c1-2-31-16-28-24-23(31)25(33)30-26(34)32(24)15-18-5-3-17(4-6-18)14-29-39(35,36)20-7-8-22(21(27)13-20)38-19-9-11-37-12-10-19/h7-8,13,16-19,29H,2-6,9-12,14-15H2,1H3,(H,30,33,34)/t17-,18-","","2022-10-11","2024-03-29","~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide","2024-04-03"],["91K","2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid","C24 H23 Cl N4 O4 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N4CC[CH](C4)CC(O)=O)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CCC(C4)CC(=O)O)Cl","InChI=1S/C24H23ClN4O4S/c1-14-4-2-7-18(25)21(14)28-22(32)19-12-26-24(34-19)27-17-6-3-5-16(11-17)23(33)29-9-8-15(13-29)10-20(30)31/h2-7,11-12,15H,8-10,13H2,1H3,(H,26,27)(H,28,32)(H,30,31)/t15-/m1/s1","","2017-03-31","2017-06-02","2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid","2017-06-07"],["91L","1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid","C15 H9 N O5","c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O;Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O;c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O","InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21)","","2017-11-30","2018-11-30","1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid","2018-12-05"],["Q2G","N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea","C13 H12 Cl N3 O","O=C(Nc1cnccc1C)Nc1cccc(Cl)c1;Cc1ccncc1NC(=O)Nc2cccc(Cl)c2;Cc1ccncc1NC(=O)Nc2cccc(c2)Cl","InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H2,16,17,18)","","2023-08-18","2023-11-03","N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea","2023-11-08"],["Q2H","~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide","C19 H17 F3 N6 O2 S","CN(c1ncccc1C=Nc2nc(Nc3ccccc3)ncc2C(F)(F)F)[S](C)(=O)=O;CN(c1c(cccn1)C=Nc2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C","InChI=1S/C19H17F3N6O2S/c1-28(31(2,29)30)17-13(7-6-10-23-17)11-24-16-15(19(20,21)22)12-25-18(27-16)26-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,25,26,27)/b24-11+","","2020-05-07","2021-02-05","~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide","2021-02-10"],["91M","(5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","C29 H32 N6 O7 S","CN(C)C(=O)[CH]1CSCc2c(cccc2c3cccc4nonc34)C(=O)OC[CH](NC(=O)[CH]5CCCN5C(C)=O)C(=O)N1;CC(=O)N1CCCC1C(=O)NC2COC(=O)c3cccc(c3CSCC(NC2=O)C(=O)N(C)C)c4cccc5c4non5","InChI=1S/C29H32N6O7S/c1-16(36)35-12-6-11-24(35)27(38)30-22-13-41-29(40)19-9-4-7-17(18-8-5-10-21-25(18)33-42-32-21)20(19)14-43-15-23(31-26(22)37)28(39)34(2)3/h4-5,7-10,22-24H,6,11-15H2,1-3H3,(H,30,38)(H,31,37)/t22-,23-,24+/m1/s1","","2021-11-10","2022-08-22","(5~{S},8~{R})-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","2022-03-16"],["Q2I","1-(1-methyl-1H-pyrazol-5-yl)methanamine","C5 H9 N3","NCc1ccnn1C;Cn1nccc1CN;Cn1c(ccn1)CN","InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3","","2022-06-01","2022-12-02","1-(1-methyl-1H-pyrazol-5-yl)methanamine","2022-12-07"],["91N","[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate","C15 H16 N3 O6 P S","O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(ccnc23)c4sccc4;c1cc(sc1)c2ccnc3c2ncn3C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C15H16N3O6PS/c19-10-6-13(24-11(10)7-23-25(20,21)22)18-8-17-14-9(3-4-16-15(14)18)12-2-1-5-26-12/h1-5,8,10-11,13,19H,6-7H2,(H2,20,21,22)/t10-,11+,13+/m0/s1","","2017-03-31","2017-06-23","[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate","2017-06-28"],["Q2J","3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid","C22 H21 I N6 O4 S2","C(NCc1cc(ccc1)S(O)=O)CCn3c(nc2c(N)ncnc23)Sc5cc4OCOc4cc5I;Nc1ncnc2n(CCCNCc3cccc(c3)[S](O)=O)c(Sc4cc5OCOc5cc4I)nc12;c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5","InChI=1S/C22H21IN6O4S2/c23-15-8-16-17(33-12-32-16)9-18(15)34-22-28-19-20(24)26-11-27-21(19)29(22)6-2-5-25-10-13-3-1-4-14(7-13)35(30)31/h1,3-4,7-9,11,25H,2,5-6,10,12H2,(H,30,31)(H2,24,26,27)","","2019-09-10","2024-09-27","3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid","2020-02-19"],["91O","5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid","C18 H16 Cl N O5","c1(cc(c(cc1C(O)=O)Cl)N[C@H]=CC(c2ccc(cc2)OC)=O)OC;COc1ccc(cc1)C(=O)C=CNc2cc(OC)c(cc2Cl)C(O)=O;COc1ccc(cc1)C(=O)C=CNc2cc(c(cc2Cl)C(=O)O)OC","InChI=1S/C18H16ClNO5/c1-24-12-5-3-11(4-6-12)16(21)7-8-20-15-10-17(25-2)13(18(22)23)9-14(15)19/h3-10,20H,1-2H3,(H,22,23)/b8-7-","","2017-11-30","2018-11-30","5-chloro-2-methoxy-4-{[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid","2018-12-05"],["Q2K","2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid","C9 H11 N3 O4 S","CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O;CSCCC(=N)C1=NC(=O)C(=O)N1CC(=O)O","InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5-","CHROMOPHORE (MET-TYR-GLY)","2022-10-11","2024-09-27","2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid","2023-02-15"],["91P","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C20 H30 N8 O18 P3","C(OP(OP(OP(OCC1C(O)C(C(O1)[n+]2cn(C)c3c2N=C(NC3=O)N)O)(O)=O)(O)=O)(O)=O)C4C(C(C(O4)N5C=CC(=NC5=O)N)O)O;Cn1c[n+]([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=NC4=O)N)[CH](O)[CH]2O)c5N=C(N)NC(=O)c15;Cn1c[n+](c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)O)O","InChI=1S/C20H29N8O18P3/c1-26-6-28(15-10(26)16(33)25-19(22)24-15)18-14(32)12(30)8(44-18)5-42-48(37,38)46-49(39,40)45-47(35,36)41-4-7-11(29)13(31)17(43-7)27-3-2-9(21)23-20(27)34/h2-3,6-8,11-14,17-18,29-32H,4-5H2,1H3,(H7-,21,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1","dinucleotide triphosphate cap analog m7GpppC","2017-03-27","2021-03-01","2-amino-9-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium (non-preferred name)","2017-04-19"],["Q2L","3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole","C23 H20 N2 O3","COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4;COc1ccccc1C(C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4","InChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1","","2023-03-13","2024-05-31","3-[(1~{R})-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole","2024-06-05"],["91Q","3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol","C12 H16 N2 O","CN(C)CCc1c[nH]c2cccc(O)c12;CN(C)CCc1c[nH]c2c1c(ccc2)O","InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3","","2021-12-31","2022-01-21","3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol","2022-01-26"],["Q2M","5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine","C23 H32 N8 O5 S","c2nc1n(cnc1c(n2)N)C5C(C(O)C(CN(CCC(C(=O)O)N)CC3CN(C3)Cc4cccs4)O5)O;N[CH](CCN(CC1CN(C1)Cc2sccc2)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1cc(sc1)CN2CC(C2)CN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C23H32N8O5S/c24-15(23(34)35)3-4-29(6-13-7-30(8-13)9-14-2-1-5-37-14)10-16-18(32)19(33)22(36-16)31-12-28-17-20(25)26-11-27-21(17)31/h1-2,5,11-13,15-16,18-19,22,32-33H,3-4,6-10,24H2,(H,34,35)(H2,25,26,27)/t15-,16+,18+,19+,22+/m0/s1","","2019-09-11","2020-06-26","5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine","2020-07-01"],["91R","[[(2~{R},3~{S},5~{R})-5-[4-[(4~{S})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C14 H21 N2 O16 P3","OC[CH](O)CC#Cc1cn([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)c(c1)[N+]([O-])=O;c1c(cn(c1[N+](=O)[O-])C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CCC(CO)O","InChI=1S/C14H21N2O16P3/c17-7-10(18)3-1-2-9-4-13(16(20)21)15(6-9)14-5-11(19)12(30-14)8-29-34(25,26)32-35(27,28)31-33(22,23)24/h4,6,10-12,14,17-19H,3,5,7-8H2,(H,25,26)(H,27,28)(H2,22,23,24)/t10-,11-,12+,14+/m0/s1","","2017-04-22","2017-06-23","[[(2~{R},3~{S},5~{R})-5-[4-[(4~{S})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2017-06-28"],["Q2N","2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide","C16 H12 F N3 O S","Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1;c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F","InChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)9-15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,20,21)","","2017-01-27","2017-10-20","2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide","2017-10-25"],["91S"," (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one","C21 H19 Cl F2 N4 O2","O=C(N1CCN(CC1)c2c3c(ncn2)c(F)c(c(c3)Cl)c4c(O)cccc4F)CC;CCC(=O)N1CCN(CC1)c2ncnc3c(F)c(c(Cl)cc23)c4c(O)cccc4F;CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl","InChI=1S/C21H19ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h3-5,10-11,29H,2,6-9H2,1H3","","2017-03-27","2024-09-27","1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one","2018-02-07"],["Q2O","1-methyl-1H-pyrazol-5-amine","C4 H7 N3","Nc1ccnn1C;Cn1nccc1N;Cn1c(ccn1)N","InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3","","2022-06-01","2022-12-02","1-methyl-1H-pyrazol-5-amine","2022-12-07"],["91T","[[(2~{R},3~{S},5~{R})-5-[4-[(4~{R})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C14 H21 N2 O16 P3","OC[CH](O)CC#Cc1cn([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)c(c1)[N+]([O-])=O;c1c(cn(c1[N+](=O)[O-])C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CCC(CO)O","InChI=1S/C14H21N2O16P3/c17-7-10(18)3-1-2-9-4-13(16(20)21)15(6-9)14-5-11(19)12(30-14)8-29-34(25,26)32-35(27,28)31-33(22,23)24/h4,6,10-12,14,17-19H,3,5,7-8H2,(H,25,26)(H,27,28)(H2,22,23,24)/t10-,11+,12-,14-/m1/s1","","2017-03-31","2017-06-23","[[(2~{R},3~{S},5~{R})-5-[4-[(4~{R})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2017-06-28"],["Q2P","5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine","C25 H33 Cl N8 O5","c2nc1n(cnc1c(N)n2)C5C(C(O)C(CN(CC3CN(C3)Cc4cccc(c4)Cl)CCC(C(O)=O)N)O5)O;N[CH](CCN(CC1CN(C1)Cc2cccc(Cl)c2)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1cc(cc(c1)Cl)CN2CC(C2)CN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C25H33ClN8O5/c26-16-3-1-2-14(6-16)7-33-9-15(10-33)8-32(5-4-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-3,6,12-13,15,17-18,20-21,24,35-36H,4-5,7-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1","","2019-09-11","2020-06-26","5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine","2020-07-01"],["91U","N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide","C23 H32 Cl N3 O3","O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(NC(=O)C)CC2CCCCC2)CCC3;CC(=O)N[CH](CC1CCCCC1)C(=O)N2CCC[CH]2C(=O)NCc3cccc(Cl)c3;CC(=O)NC(CC1CCCCC1)C(=O)N2CCCC2C(=O)NCc3cccc(c3)Cl","InChI=1S/C23H32ClN3O3/c1-16(28)26-20(14-17-7-3-2-4-8-17)23(30)27-12-6-11-21(27)22(29)25-15-18-9-5-10-19(24)13-18/h5,9-10,13,17,20-21H,2-4,6-8,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1","","2008-11-06","2011-06-04","N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide",""],["Q2Q","3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one","C19 H12 F3 N3 O","FC(F)(F)c1nn2C(=O)CC(=Nc2c1c3ccccc3)c4ccccc4;c1ccc(cc1)c2c(nn3c2N=C(CC3=O)c4ccccc4)C(F)(F)F","InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-10H,11H2","","2022-10-12","2023-01-27","3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one","2023-02-01"],["91V","N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine","C27 H32 N6 O","C3N(CCCCNc1nn2c(cc1)nnc2)CCC(C3)OC(c4ccccc4)c5ccccc5;C(CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3)CNc4ccc5nncn5n4;c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4","InChI=1S/C27H32N6O/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)34-24-15-19-32(20-16-24)18-8-7-17-28-25-13-14-26-30-29-21-33(26)31-25/h1-6,9-14,21,24,27H,7-8,15-20H2,(H,28,31)","","2017-03-27","2017-04-28","N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine","2017-05-03"],["91W","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H44 O4","C[CH]([CH]1CC[CH](O1)C(C)(C)O)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)C4CCC(O4)C(C)(C)O","InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25+,26-,28+/m0/s1","","2017-04-03","2017-05-19","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2017-05-24"],["Q2R","3-(2-methoxycarbonylphenyl)benzoic acid","C15 H12 O4","COC(=O)c1ccccc1c2cccc(c2)C(O)=O;COC(=O)c1ccccc1c2cccc(c2)C(=O)O","InChI=1S/C15H12O4/c1-19-15(18)13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(16)17/h2-9H,1H3,(H,16,17)","","2017-07-27","2018-01-05","3-(2-methoxycarbonylphenyl)benzoic acid","2018-01-10"],["Q2S","3-(1~{H}-indol-5-yl)benzoic acid","C15 H11 N O2","OC(=O)c1cccc(c1)c2ccc3[nH]ccc3c2;c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3","InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)","","2017-07-27","2018-01-05","3-(1~{H}-indol-5-yl)benzoic acid","2018-01-10"],["91X","3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione","C14 H8 N4 O3 S","c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4;O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4;c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4","InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)","","2017-11-30","2018-11-30","3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione","2018-12-05"],["Q2T","1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline","C24 H28 N6 O2","O(c1cc(cnc1)c3nnc4c(nc2ccc(cc2n34)CN5CCOCC5)C)CCCC;CCCCOc1cncc(c1)c2nnc3n2c4cc(CN5CCOCC5)ccc4nc3C;CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5","InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3","","2014-04-24","2014-08-01","1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline","2014-08-06"],["91Y","3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide","C21 H24 N4 O2","N(c3c(C(=O)NC2Cc1c(cccc1)C2)nccn3)C(C4CCCCC4)=O;O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)C4CCCCC4;c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4","InChI=1S/C21H24N4O2/c26-20(14-6-2-1-3-7-14)25-19-18(22-10-11-23-19)21(27)24-17-12-15-8-4-5-9-16(15)13-17/h4-5,8-11,14,17H,1-3,6-7,12-13H2,(H,24,27)(H,23,25,26)","","2017-03-28","2017-05-26","3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide","2017-05-31"],["Q2U","N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","C19 H18 N2 O4","COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3ccccc23;COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2cccc3","InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)","","2023-08-18","2023-11-03","N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","2023-11-08"],["91Z","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C24 H30 F3 N5 O5","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CNc1c(F)cc(F)cc1F;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C(=O)CNc4c(F)cc(F)cc4F;CC1(C2C1C(N(C2)C(=O)CNc3c(cc(cc3F)F)F)C(=O)NC(CC4CCNC4=O)C(C(=O)N)O)C","InChI=1S/C24H30F3N5O5/c1-24(2)12-9-32(16(33)8-30-18-13(26)6-11(25)7-14(18)27)19(17(12)24)23(37)31-15(20(34)21(28)35)5-10-3-4-29-22(10)36/h6-7,10,12,15,17,19-20,30,34H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,36)(H,31,37)/t10-,12-,15-,17-,19-,20+/m0/s1","","2021-10-04","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-10-05"],["Q2V","5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine","C33 H42 N8 O5","n6cnc5n(C4OC(CN(CC3CN(CCC(c1ccccc1)c2ccccc2)C3)CCC(C(=O)O)N)C(C4O)O)cnc5c6N;N[CH](CCN(CC1CN(CCC(c2ccccc2)c3ccccc3)C1)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O;c1ccc(cc1)C(CCN2CC(C2)CN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)c6ccccc6","InChI=1S/C33H42N8O5/c34-25(33(44)45)12-14-40(18-26-28(42)29(43)32(46-26)41-20-38-27-30(35)36-19-37-31(27)41)17-21-15-39(16-21)13-11-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,19-21,24-26,28-29,32,42-43H,11-18,34H2,(H,44,45)(H2,35,36,37)/t25-,26+,28+,29+,32+/m0/s1","","2019-09-11","2020-06-26","5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine","2020-07-01"],["920","4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine","C23 H25 F N8 O","Fc4cc3c2c(nc(Oc1cnc(nc1)C)nc2nc3c(NC)c4)N6CC5C(N)CC5(C)C6;CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6[CH](N)C[C]6(C)C5)c23;Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6C(CC6(C5)C)N","InChI=1S/C23H25FN8O/c1-11-27-7-13(8-28-11)33-22-30-20-18(14-4-12(24)5-17(26-3)19(14)29-20)21(31-22)32-9-15-16(25)6-23(15,2)10-32/h4-5,7-8,15-16,26H,6,9-10,25H2,1-3H3,(H,29,30,31)/t15-,16-,23-/m1/s1","","2013-05-21","2014-01-10","4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine","2014-01-15"],["921","N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea","C30 H35 N3 O2","C2CC(c1ccncc1)CCC2N(C(=O)N(CC=C(C)C)c4cccc(Oc3ccccc3)c4)C;CN([CH]1CC[CH](CC1)c2ccncc2)C(=O)N(CC=C(C)C)c3cccc(Oc4ccccc4)c3;CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C","InChI=1S/C30H35N3O2/c1-23(2)18-21-33(27-8-7-11-29(22-27)35-28-9-5-4-6-10-28)30(34)32(3)26-14-12-24(13-15-26)25-16-19-31-20-17-25/h4-11,16-20,22,24,26H,12-15,21H2,1-3H3/t24-,26-","","2017-03-29","2017-06-02","N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea","2017-06-07"],["Q2X","4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide","C21 H17 Cl N2 O2","Clc1ccc(cc1C(=O)Nc2ccccc2)C(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)Nc3ccccc3)Cl","InChI=1S/C21H17ClN2O2/c22-19-12-11-16(20(25)23-14-15-7-3-1-4-8-15)13-18(19)21(26)24-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,25)(H,24,26)","","2022-10-12","2024-09-27","4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide","2022-12-28"],["Q2Y","4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID","C27 H25 N5 O5 S","O=C(NC(C(=O)C)CC(=O)O)Cc1sc(cc1)CNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4;CC(=O)[CH](CC(O)=O)NC(=O)Cc1sc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1;CC(=O)C(CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3","InChI=1S/C27H25N5O5S/c1-16(33)23(13-26(35)36)32-25(34)12-19-10-11-20(38-19)14-29-27(37)17-6-8-18(9-7-17)30-24-15-28-21-4-2-3-5-22(21)31-24/h2-11,15,23H,12-14H2,1H3,(H,29,37)(H,30,31)(H,32,34)(H,35,36)/t23-/m0/s1","","2004-01-09","2024-09-27","(3S)-4-oxo-3-[({5-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]thiophen-2-yl}acetyl)amino]pentanoic acid",""],["922","(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE","C21 H27 N4 O7 P","O=C(OCc1ccccc1)NC(C(C)C)P(=O)(O)OC(c2cc(NC(=[N@H])N)ccc2)C(=O)O;CC(C)[CH](NC(=O)OCc1ccccc1)[P](O)(=O)O[CH](C(O)=O)c2cccc(NC(N)=N)c2;[H]N=C(N)Nc1cccc(c1)C(C(=O)O)OP(=O)(C(C(C)C)NC(=O)OCc2ccccc2)O","InChI=1S/C21H27N4O7P/c1-13(2)18(25-21(28)31-12-14-7-4-3-5-8-14)33(29,30)32-17(19(26)27)15-9-6-10-16(11-15)24-20(22)23/h3-11,13,17-18H,12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t17-,18+/m0/s1","","2007-04-20","2011-06-04","(5R,6S,8S)-8-(3-carbamimidamidophenyl)-6-hydroxy-5-(1-methylethyl)-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide",""],["Q2Z","Carborane ethyl-sulfonamide","C4 H6 B10 N O2 S","N[S](=O)(=O)CC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N","InChI=1S/C4H6B10NO2S/c15-18(16,17)2-1-4-3-5(4)7(3)8(3)6(3,4)10(4)9(4,5)11(5,7)13(7,8)12(6,8,10)14(9,10,11)13/h1-2H2,(H2,15,16,17)","","2020-05-07","2020-10-23","","2020-10-28"],["923","(5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one","C27 H28 O7","O=C3O/C(C(O)=C3c2cc1c(OC(C(O)(C)C)C1)cc2)=Cc5ccc4OC(C(O)(C)C)Cc4c5;CC(C)(O)[CH]1Cc2cc(ccc2O1)C=C3OC(=O)C(=C3O)c4ccc5O[CH](Cc5c4)C(C)(C)O;CC(C)(C1Cc2cc(ccc2O1)C=C3C(=C(C(=O)O3)c4ccc5c(c4)CC(O5)C(C)(C)O)O)O","InChI=1S/C27H28O7/c1-26(2,30)21-12-16-9-14(5-7-18(16)32-21)10-20-24(28)23(25(29)34-20)15-6-8-19-17(11-15)13-22(33-19)27(3,4)31/h5-11,21-22,28,30-31H,12-13H2,1-4H3/b20-10-/t21-,22-/m1/s1","Aspulvinone J-CR","2011-04-28","2021-03-01","(5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one",""],["924","1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone","C23 H19 N3 O S","O=C(N4c3ccc(c1c2c(sc1)ccnc2N)cc3CC4)Cc5ccccc5;Nc1nccc2scc(c3ccc4N(CCc4c3)C(=O)Cc5ccccc5)c12;c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N","InChI=1S/C23H19N3OS/c24-23-22-18(14-28-20(22)8-10-25-23)16-6-7-19-17(13-16)9-11-26(19)21(27)12-15-4-2-1-3-5-15/h1-8,10,13-14H,9,11-12H2,(H2,24,25)","","2012-07-24","2012-08-03","1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone",""],["Q30","3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","C23 H34 O5","C[C]12CC[CH](O)C[C]1(O)CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5;CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O","InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21+,22-,23-/m0/s1","","2023-03-15","2024-01-19","3-[(3~{S},5~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one","2024-01-24"],["Q31","5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid","C20 H25 N3 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)Cc3ncnc3;CC(C)C[CH](CNC(=O)Cc1c[nH]cn1)Cc2ccc3OCOc3c2C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3","InChI=1S/C20H25N3O5/c1-12(2)5-13(8-22-17(24)7-15-9-21-10-23-15)6-14-3-4-16-19(28-11-27-16)18(14)20(25)26/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/t13-/m0/s1","","2013-12-19","2014-09-05","5-[(2S)-2-{[(1H-imidazol-4-ylacetyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["925","3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide","C28 H32 N6 O3","CC1(C)CC(CC(C)(C)N1O)NC(=O)c2cccc(c2)c3cc4nccc(Nc5cccc(O)c5)n4n3;CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C","InChI=1S/C28H32N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35,37H,16-17H2,1-4H3,(H,31,36)","N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-(7-(3-hydroxyphenylamino)pyrazolo[1,5-a]pyrimidin-2-yl)benzamide","2010-01-20","2020-06-17","3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide",""],["Q33","4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide","C21 H16 Cl2 N2 O2","Clc1cc(cc(C(=O)Nc2ccccc2)c1Cl)C(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)c2cc(c(c(c2)Cl)Cl)C(=O)Nc3ccccc3","InChI=1S/C21H16Cl2N2O2/c22-18-12-15(20(26)24-13-14-7-3-1-4-8-14)11-17(19(18)23)21(27)25-16-9-5-2-6-10-16/h1-12H,13H2,(H,24,26)(H,25,27)","","2022-10-12","2024-09-27","4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide","2022-12-28"],["926","6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one","C15 H13 N3 O S","O=C1C=CC=C(N1)c3cc(Sc2nccn2C)ccc3;Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3;Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3","InChI=1S/C15H13N3OS/c1-18-9-8-16-15(18)20-12-5-2-4-11(10-12)13-6-3-7-14(19)17-13/h2-10H,1H3,(H,17,19)","","2013-07-03","2013-07-19","6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one","2013-07-24"],["Q34","5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine","C25 H33 Cl N8 O5","O=C(O)C(N)CCN(CC1CN(C1)Cc2ccc(cc2)Cl)CC3C(O)C(O)C(O3)n5c4ncnc(c4nc5)N;N[CH](CCN(CC1CN(C1)Cc2ccc(Cl)cc2)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1cc(ccc1CN2CC(C2)CN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)Cl","InChI=1S/C25H33ClN8O5/c26-16-3-1-14(2-4-16)7-33-9-15(10-33)8-32(6-5-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-4,12-13,15,17-18,20-21,24,35-36H,5-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1","","2019-09-11","2020-06-26","5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine","2020-07-01"],["927","N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide","C31 H36 N4 O2","C2CC(c1ccncc1)CCC2N(C(N(c4cccc(NC(=O)c3ccccc3)c4)C/C=C(/C)C)=O)C;CN([CH]1CC[CH](CC1)c2ccncc2)C(=O)N(CC=C(C)C)c3cccc(NC(=O)c4ccccc4)c3;CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C","InChI=1S/C31H36N4O2/c1-23(2)18-21-35(29-11-7-10-27(22-29)33-30(36)26-8-5-4-6-9-26)31(37)34(3)28-14-12-24(13-15-28)25-16-19-32-20-17-25/h4-11,16-20,22,24,28H,12-15,21H2,1-3H3,(H,33,36)/t24-,28-","","2017-03-29","2017-06-02","N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide","2017-06-07"],["928","5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile","C10 H7 Cl N4","Clc2ccc(n1ncc(C#N)c1N)cc2;Nc1n(ncc1C#N)c2ccc(Cl)cc2;c1cc(ccc1n2c(c(cn2)C#N)N)Cl","InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2","","2008-09-18","2011-06-04","5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile",""],["Q35","2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid","C33 H35 N3 O9","CC[CH](OC(=O)N(Cc1ccccc1)C(=O)Nc2cc(OC)cc(OC)c2)c3onc(c3)c4ccc(OC(C)(C)C(O)=O)cc4;CCC(c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC","InChI=1S/C33H35N3O9/c1-6-28(29-19-27(35-45-29)22-12-14-24(15-13-22)44-33(2,3)30(37)38)43-32(40)36(20-21-10-8-7-9-11-21)31(39)34-23-16-25(41-4)18-26(17-23)42-5/h7-19,28H,6,20H2,1-5H3,(H,34,39)(H,37,38)/t28-/m1/s1","","2016-09-20","2017-06-30","2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid","2017-07-05"],["929","N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","C44 H53 F2 N5 O8 S","O=S(=O)(N(c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(=O)NCc2ccccc2)C(C)C)C)COCc3cc(F)cc(F)c3)C(=O)NC(c4ccccc4)C)C)C;CC(C)[CH](NC(=O)[CH](C)C[CH](O)[CH](COCc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)NCc4ccccc4;CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(C)CC(C(COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O","InChI=1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1","N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-BENZYLOXYMETHYL)-2-HYDROXY-PENTYL]-5-[Methyl(METHANESULFONYL)Amino]-N'-(1-PHENYL-ETHYL)-ISOPHTHALAMIDE","2008-09-30","2021-03-13","N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-{[(3,5-difluorobenzyl)oxy]methyl}-2-hydroxy-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name)",""],["Q36","(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide","C16 H15 N3 O","O=C(Nc1cnccc1C)C(C)c1cccc(C#N)c1;C[CH](C(=O)Nc1cnccc1C)c2cccc(c2)C#N;Cc1ccncc1NC(=O)C(C)c2cccc(c2)C#N","InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1","","2023-08-18","2023-11-03","(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["Q38","Carborane nido-pentyl-sulfonamide","C7 H12 B9 N O2 S","N[S](=O)(=O)CCCCC[C+]123[B-]45[B+]67[B-]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B31B823B966B744B622C45C321CCCCCS(=O)(=O)N","InChI=1S/C7H12B9NO2S/c17-20(18,19)5-3-1-2-4-7-6-8-10-9(7)13(7)11(6,7)12(6,8)14(8,10)15(9,10,13)16(11,12,13)14/h1-5H2,(H2,17,18,19)","","2020-05-07","2020-10-23","","2020-10-28"],["92A","N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide","C30 H40 Cl N3 O3","C(CC(=O)NC(C(=O)N1CCC(CC1)C)Cc3ccc(NC(CCc2ccc(Cl)cc2)=O)cc3)C(C)C;CC(C)CCC(=O)N[CH](Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1)C(=O)N3CCC(C)CC3;CC1CCN(CC1)C(=O)C(Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C","InChI=1S/C30H40ClN3O3/c1-21(2)4-14-29(36)33-27(30(37)34-18-16-22(3)17-19-34)20-24-7-12-26(13-8-24)32-28(35)15-9-23-5-10-25(31)11-6-23/h5-8,10-13,21-22,27H,4,9,14-20H2,1-3H3,(H,32,35)(H,33,36)/t27-/m1/s1","","2017-03-29","2017-06-02","N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide","2017-06-07"],["Q39","1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide","C17 H21 N3 O2 S2","Cc1sc(CCC(=O)N2CCC(CC2)C(N)=O)c(n1)c3sccc3;Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3","InChI=1S/C17H21N3O2S2/c1-11-19-16(13-3-2-10-23-13)14(24-11)4-5-15(21)20-8-6-12(7-9-20)17(18)22/h2-3,10,12H,4-9H2,1H3,(H2,18,22)","","2020-08-14","2021-01-08","1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide","2021-01-13"],["92B","(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C12 H16 N2 O3","OC(=O)[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12;C1CC(N2C1C=CC3CCNC3C2=O)C(=O)O","InChI=1S/C12H16N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-2,7-10,13H,3-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1","","2017-04-03","2024-09-27","(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2017-06-14"],["92C","(3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one","C13 H10 Cl N3 O","c32C(=Cc1cnn(C)c1)C(Nc2ccc(c3)Cl)=O;Cn1cc(cn1)C=C2C(=O)Nc3ccc(Cl)cc23;Cn1cc(cn1)C=C2c3cc(ccc3NC2=O)Cl","InChI=1S/C13H10ClN3O/c1-17-7-8(6-15-17)4-11-10-5-9(14)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)/b11-4-","","2017-11-30","2018-11-30","(3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one","2018-12-05"],["Q3A","8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine","C23 H22 F N5 O3 S","c2(c(c1CCOc1cc2)CNc3n5c(c(cn3)c4ccc(C)nc4C)c(S(=O)(C)=O)nc5)F;Cc1ccc(c(C)n1)c2cnc(NCc3c(F)ccc4OCCc34)n5cnc(c25)[S](C)(=O)=O;Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F","InChI=1S/C23H22FN5O3S/c1-13-4-5-15(14(2)28-13)18-11-26-23(29-12-27-22(21(18)29)33(3,30)31)25-10-17-16-8-9-32-20(16)7-6-19(17)24/h4-7,11-12H,8-10H2,1-3H3,(H,25,26)","","2019-09-11","2020-07-03","8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine","2020-07-08"],["Q3B","1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea","C27 H26 N8 O3 S","COc1ccc(NC(=O)Nc2cccc(c2)c3ncn(C[CH]4CCCO4)c3c5sc6ncnc(N)c6n5)cc1;COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)CC4CCCO4)c5nc6c(ncnc6s5)N","InChI=1S/C27H26N8O3S/c1-37-19-9-7-17(8-10-19)32-27(36)33-18-5-2-4-16(12-18)21-23(35(15-31-21)13-20-6-3-11-38-20)26-34-22-24(28)29-14-30-25(22)39-26/h2,4-5,7-10,12,14-15,20H,3,6,11,13H2,1H3,(H2,28,29,30)(H2,32,33,36)/t20-/m0/s1","","2015-03-08","2015-05-08","1-[3-[5-(7-azanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea","2015-05-13"],["92D","N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide","C26 H30 N4 O2","c1(ccc(cc1c3cc(N2CCOCC2)ncn3)C(Nc4cc(ccc4)C(C)(C)C)=O)C;Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C;Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C","InChI=1S/C26H30N4O2/c1-18-8-9-19(25(31)29-21-7-5-6-20(15-21)26(2,3)4)14-22(18)23-16-24(28-17-27-23)30-10-12-32-13-11-30/h5-9,14-17H,10-13H2,1-4H3,(H,29,31)","","2017-03-29","2017-06-23","N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide","2017-06-28"],["Q3C","quinoline-3-carboxylic acid","C10 H7 N O2","O=C(O)c1cc2ccccc2nc1;OC(=O)c1cnc2ccccc2c1;c1ccc2c(c1)cc(cn2)C(=O)O","InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)","","2013-05-10","2013-05-17","quinoline-3-carboxylic acid","2013-05-22"],["92E","~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide","C24 H23 N3 O6","CCOc1ccc(cc1NC(=O)c2cc(NC(C)=O)cc(NC(=O)c3occc3)c2)C(C)=O;CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C","InChI=1S/C24H23N3O6/c1-4-32-21-8-7-16(14(2)28)12-20(21)27-23(30)17-10-18(25-15(3)29)13-19(11-17)26-24(31)22-6-5-9-33-22/h5-13H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)","","2017-04-05","2018-02-16","~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide","2018-02-21"],["Q3D","8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine","C24 H22 F N5 O3 S","n2c(n1c(c(S(=O)(=O)C)nc1)c(c2)c3cnc(cc3)C4CC4)NCc6c(F)ccc5c6CCO5;C[S](=O)(=O)c1ncn2c(NCc3c(F)ccc4OCCc34)ncc(c5ccc(nc5)C6CC6)c12;CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6","InChI=1S/C24H22FN5O3S/c1-34(31,32)23-22-17(15-4-6-20(26-10-15)14-2-3-14)11-27-24(30(22)13-29-23)28-12-18-16-8-9-33-21(16)7-5-19(18)25/h4-7,10-11,13-14H,2-3,8-9,12H2,1H3,(H,27,28)","","2019-09-11","2020-07-03","8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine","2020-07-08"],["92F","7-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile","C13 H14 N5 O7 P","P(=O)(O)(O)OCC1OC(CC1O)N2C=C3C(=NC2=O)N=C(C(=C3)C#N)N;NC1=NC2=NC(=O)N(C=C2C=C1C#N)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;C1C(C(OC1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O","InChI=1S/C13H14N5O7P/c14-3-6-1-7-4-18(13(20)17-12(7)16-11(6)15)10-2-8(19)9(25-10)5-24-26(21,22)23/h1,4,8-10,19H,2,5H2,(H2,21,22,23)(H2,15,16,17,20)/t8-,9+,10+/m0/s1","","2017-12-01","2022-06-13","7-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile","2018-11-21"],["Q3E","Carborane propyl-sulfonamide","C5 H8 B10 N O2 S","N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N","InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)","","2020-05-07","2020-10-23","","2020-10-28"],["92G","4-(2-amino-1,3-thiazol-4-yl)phenol","C9 H8 N2 O S","n2c(c1ccc(O)cc1)csc2N;Nc1scc(n1)c2ccc(O)cc2;c1cc(ccc1c2csc(n2)N)O","InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)","","2009-01-20","2011-06-04","4-(2-amino-1,3-thiazol-4-yl)phenol",""],["Q3F","1-methyl-1H-pyrazol-4-amine","C4 H7 N3","Nc1cn(C)nc1;Cn1cc(N)cn1;Cn1cc(cn1)N","InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3","","2022-06-01","2022-12-02","1-methyl-1H-pyrazol-4-amine","2022-12-07"],["92H","~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide","C30 H37 N3 O","CN(C)CCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4;CN(C)CCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4","InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3/t23-/m1/s1","","2017-04-07","2018-03-09","~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide","2018-03-14"],["Q3G","O-[(R)-[(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-D-serine","C40 H78 N O10 P","C(CCCCCCCCC)CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(O)=O)N)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47)/t36-,37+/m0/s1","","2019-09-12","2020-05-27","O-[(R)-[(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-D-serine","2019-10-23"],["92I","(3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","C23 H30 N4 O7 S","CN(C)C(=O)[CH]1C[S](=O)Cc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1;CC(=O)N1CCCC1C(=O)NC2COC(=O)c3ccccc3CS(=O)CC(NC2=O)C(=O)N(C)C","InChI=1S/C23H30N4O7S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-34-23(32)16-8-5-4-7-15(16)12-35(33)13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+,35+/m1/s1","","2021-11-10","2022-08-22","(3~{S},5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide","2022-03-16"],["Q3H","Carborane nido-hexyl-sulfonamide","C8 H14 B9 N O2 S","N[S](=O)(=O)CCCCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N","InChI=1S/C8H14B9NO2S/c18-21(19,20)6-4-2-1-3-5-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h1-6H2,(H2,18,19,20)","","2020-05-07","2020-10-23","","2020-10-28"],["92J","N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide","C28 H29 F3 N4 O4","c1(ncc(cc1c3cnc(c(N2CCOCC2)c3)OC4CCOCC4)NC(c5cccc(C(F)(F)F)c5)=O)C;Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1c3cnc(OC4CCOCC4)c(c3)N5CCOCC5;Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5","InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)","","2017-03-29","2017-06-23","N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide","2017-06-28"],["Q3J","12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one","C16 H20 B F2 N3 O","CCN(CC)c1ccc2C=C3C(=O)N(C)C(=[N+]3[B-](F)(F)c2c1)C;[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F","InChI=1S/C16H20BF2N3O/c1-5-21(6-2)13-8-7-12-9-15-16(23)20(4)11(3)22(15)17(18,19)14(12)10-13/h7-10H,5-6H2,1-4H3","","2019-09-13","2020-09-11","12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one","2020-09-16"],["92K","Isatinic acid","C8 H7 N O3","Nc1ccccc1C(=O)C(O)=O;c1ccc(c(c1)C(=O)C(=O)O)N","InChI=1S/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)","","2017-04-08","2018-05-11","2-(2-aminophenyl)-2-oxidanylidene-ethanoic acid","2018-05-16"],["Q3K","Carborane closo-hexyl-sulfonamide","C8 H14 B10 N O2 S","N[S](=O)(=O)CCCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N","InChI=1S/C8H14B10NO2S/c19-22(20,21)6-4-2-1-3-5-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,20,21)","","2020-05-07","2020-10-23","","2020-10-28"],["92L","2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione","C14 H13 N O7 S","C[S](=O)(=O)c1ccc([C](O)=[C]2C(=O)C[CH2]CC2=O)c(c1)[N+]([O-])=O;CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O","InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,18H,2-4H2,1H3","Mesotrione","2017-12-07","2020-06-17","2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione","2019-01-16"],["Q3L","(2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid","C17 H31 N4 O7 S","C[CH](O)[CH](N)[CH]1O[CH](Sc2[nH]c(C[CH](C(O)=O)[N+](C)(C)C)cn2)[CH](O)[CH](O)[CH]1O;CC(C(C1C(C(C(C(O1)Sc2[nH]c(cn2)CC(C(=O)O)[N+](C)(C)C)O)O)O)N)O","InChI=1S/C17H30N4O7S/c1-7(22)10(18)14-12(24)11(23)13(25)16(28-14)29-17-19-6-8(20-17)5-9(15(26)27)21(2,3)4/h6-7,9-14,16,22-25H,5,18H2,1-4H3,(H-,19,20,26,27)/p+1/t7-,9+,10-,11+,12-,13-,14-,16+/m1/s1","","2023-03-17","2023-09-15","[(2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium","2023-09-20"],["92M","9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin\n-6(7H)-one","C25 H34 N6 O3","O=C4N(c1c(nc(nc1)Nc3ccc(N2CCC(O)CC2)cc3OC)N(CC4)C5CCCC5)C;COc1cc(ccc1Nc2ncc3N(C)C(=O)CCN(C4CCCC4)c3n2)N5CCC(O)CC5;CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O","InChI=1S/C25H34N6O3/c1-29-21-16-26-25(28-24(21)31(14-11-23(29)33)17-5-3-4-6-17)27-20-8-7-18(15-22(20)34-2)30-12-9-19(32)10-13-30/h7-8,15-17,19,32H,3-6,9-14H2,1-2H3,(H,26,27,28)","9-cyclopentyl-2-{[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4\n]diazepin-6-one","2009-05-05","2020-06-17","9-cyclopentyl-2-{[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one",""],["Q3M","Methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose","C10 H19 N O4 S","CSC1CC(CO)C(O)C(O)C1NC(C)=O;CS[CH]1C[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(CC(C(C1O)O)CO)SC","InChI=1S/C10H19NO4S/c1-5(13)11-8-7(16-2)3-6(4-12)9(14)10(8)15/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+,10-/m1/s1","N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide","2019-09-16","2021-03-26","N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide","2021-03-31"],["92N","4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde","C14 H11 B O4","OB1OCc2cc(Oc3ccc(C=O)cc3)ccc12;B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O","InChI=1S/C14H11BO4/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-8,17H,9H2","","2017-04-10","2017-04-14","4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde","2017-04-19"],["92O","7-ethyl-3-(piperidin-4-yl)-1H-indole","C15 H20 N2","CCc1cccc2c1[nH]cc2C3CCNCC3;CCc1cccc2c1[nH]cc2C3CCNCC3","InChI=1S/C15H20N2/c1-2-11-4-3-5-13-14(10-17-15(11)13)12-6-8-16-9-7-12/h3-5,10,12,16-17H,2,6-9H2,1H3","","2015-08-04","2015-12-11","7-ethyl-3-piperidin-4-yl-1H-indole","2015-12-16"],["Q3N","Carborane closo-pentyl-sulfonamide","C7 H12 B10 N O2 S","N[S](=O)(=O)CCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N","InChI=1S/C7H12B10NO2S/c18-21(19,20)5-3-1-2-4-7-6-8(7)10(6)11(6)9(6,7)13(7)12(7,8)14(8,10)16(10,11)15(9,11,13)17(12,13,14)16/h1-5H2,(H2,18,19,20)","","2020-05-07","2020-10-23","","2020-10-28"],["Q3O","3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C6 H5 N O4","OC1=C(NC=CC1=O)C(=O)O;OC(=O)C1=C(O)C(=O)C=CN1;C1=CNC(=C(C1=O)O)C(=O)O","InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11)","","2022-06-01","2022-12-16","3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2022-12-21"],["92P","1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID","C9 H8 N2 O2","O=C(OC)c2c1cccnc1nc2;COC(=O)c1c[nH]c2ncccc12;COC(=O)c1c[nH]c2c1cccn2","InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)","","2013-02-04","2014-09-05","methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate","2013-05-22"],["Q3P","N~6~-glycyl-L-lysine","C8 H17 N3 O3","C(CN)(NCCCCC(N)C(O)=O)=O;NCC(=O)NCCCC[CH](N)C(O)=O;C(CCNC(=O)CN)CC(C(=O)O)N","InChI=1S/C8H17N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1","","2019-09-16","2024-09-27","N~6~-glycyl-L-lysine","2019-10-23"],["92Q","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","C22 H22 Cl N5 O2 S","Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CCNC4)nc2;Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNC4)Cl","InChI=1S/C22H22ClN5O2S/c1-13-4-2-7-17(23)19(13)28-21(30)18-12-25-22(31-18)27-15-6-3-5-14(10-15)20(29)26-16-8-9-24-11-16/h2-7,10,12,16,24H,8-9,11H2,1H3,(H,25,27)(H,26,29)(H,28,30)/t16-/m0/s1","","2017-04-10","2017-06-02","~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide","2017-06-07"],["Q3Q","Carborane closo-butyl-sulfonamide","C6 H10 B10 N O2 S","N[S](=O)(=O)CCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N","InChI=1S/C6H10B10NO2S/c17-20(18,19)4-2-1-3-6-5-7(6)9(5)10(5)8(5,6)12(6)11(6,7)13(7,9)15(9,10)14(8,10,12)16(11,12,13)15/h1-4H2,(H2,17,18,19)","","2020-05-07","2020-10-23","","2020-10-28"],["92R","3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one","C19 H20 N2 O2","O=C2c3cccc(OC)c3C=C(c1ccc(cc1)CN(C)C)N2;COc1cccc2C(=O)NC(=Cc12)c3ccc(CN(C)C)cc3;CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2","InChI=1S/C19H20N2O2/c1-21(2)12-13-7-9-14(10-8-13)17-11-16-15(19(22)20-17)5-4-6-18(16)23-3/h4-11H,12H2,1-3H3,(H,20,22)","","2014-08-08","2015-07-02","3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one","2015-07-07"],["Q3R","~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide","C51 H58 F3 N9 O7 S","CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)c6cnc(cc6C(F)(F)F)O)N7CCN(CC7)C)O","InChI=1S/C51H58F3N9O7S/c1-30-44(71-29-58-30)33-10-8-31(9-11-33)26-57-48(69)41-24-36(64)28-63(41)49(70)45(50(2,3)4)60-42(65)7-6-18-55-46(67)34-14-12-32(13-15-34)35-16-17-40(62-21-19-61(5)20-22-62)39(23-35)59-47(68)37-27-56-43(66)25-38(37)51(52,53)54/h8-17,23,25,27,29,36,41,45,64H,6-7,18-22,24,26,28H2,1-5H3,(H,55,67)(H,56,66)(H,57,69)(H,59,68)(H,60,65)/t36-,41+,45-/m1/s1","","2022-10-12","2022-11-04","~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide","2022-11-09"],["92S","1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one","C24 H28 F N3 O","CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25;CN1CCN2c3c1cccc3C4C2CCN(C4)CCCC(=O)c5ccc(cc5)F","InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1","lumateperone","2022-01-01","2022-09-27","1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one","2022-01-26"],["Q3S","(2R,3S)-2,3-diaminobutanoic acid","C4 H10 N2 O2","NC(C(O)=O)C(C)N;C[CH](N)[CH](N)C(O)=O;CC(C(C(=O)O)N)N","InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m0/s1","","2019-09-16","2024-09-27","(2R,3S)-2,3-diaminobutanoic acid","2019-11-27"],["92T","1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile","C24 H17 Cl N8 O","Clc1ccccc1n2c(nnc2c3ccncn3)[CH]4C[CH](C4)N5C(=O)Nc6cc(ccc56)C#N;c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl","InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16-","","2017-04-12","2017-11-24","1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile","2017-11-29"],["Q3T","Carborane methyl-sulfonamide","C3 H4 B10 N O2 S","N[S](=O)(=O)C[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N","InChI=1S/C3H4B10NO2S/c14-17(15,16)1-3-2-4(3)6(2)7(2)5(2,3)9(3)8(3,4)10(4,6)12(6,7)11(5,7,9)13(8,9,10)12/h1H2,(H2,14,15,16)","","2020-05-07","2020-10-23","","2020-10-28"],["92U","[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone","C15 H18 N4 O4 S","CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O;CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C","InChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3","","2017-12-07","2019-01-11","[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone","2019-01-16"],["Q3U","N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea","C12 H11 Cl N4 O","O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1;Nc1cncc(NC(=O)Nc2cccc(Cl)c2)c1;c1cc(cc(c1)Cl)NC(=O)Nc2cc(cnc2)N","InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18)","","2023-08-18","2023-11-03","N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea","2023-11-08"],["92V","1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide","C15 H16 F3 N3 O2 S","c1c(ccc(c1)n2c(c(cn2)C(NCCCS)=O)C(F)(F)F)OC;COc1ccc(cc1)n2ncc(C(=O)NCCCS)c2C(F)(F)F;COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F","InChI=1S/C15H16F3N3O2S/c1-23-11-5-3-10(4-6-11)21-13(15(16,17)18)12(9-20-21)14(22)19-7-2-8-24/h3-6,9,24H,2,7-8H2,1H3,(H,19,22)","","2017-03-30","2024-09-27","1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide","2017-10-25"],["Q3V","N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine","C15 H21 N5 O5","C/C(CO)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;CC(CO)=CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;CC(=CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)CO","InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1","","2022-06-01","2023-05-12","N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine","2023-05-17"],["92W","2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one","C18 H24 N4 O3 S","O=S(=O)(c1cccc2cncc(C)c21)N1CCCN(CC1C)C(=O)CN;C[CH]1CN(CCCN1[S](=O)(=O)c2cccc3cncc(C)c23)C(=O)CN;Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(CC3C)C(=O)CN","InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1","","2021-10-04","2021-11-26","2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one","2021-12-01"],["92X","1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C24 H22 N2 O5","CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C;Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C","InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3","","2017-12-07","2019-01-11","1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2019-01-16"],["Q3W","Carborane nido-butyl-sulfonamide","C6 H10 B9 N O2 S","N[S](=O)(=O)CCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N","InChI=1S/C6H10B9NO2S/c16-19(17,18)4-2-1-3-6-5-7-9-8(6)12(6)10(5,6)11(5,7)13(7,9)14(8,9,12)15(10,11,12)13/h1-4H2,(H2,16,17,18)","","2020-05-07","2020-10-28","","2020-10-28"],["Q3X","~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide","C58 H72 F3 N9 O11 S","CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCOCCOCCOCCOCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)c6cnc(cc6C(F)(F)F)O)N7CCN(CC7)C)O","InChI=1S/C58H72F3N9O11S/c1-37-51(82-36-65-37)40-8-6-38(7-9-40)33-64-55(76)48-31-43(71)35-70(48)56(77)52(57(2,3)4)67-49(72)16-22-78-24-26-80-28-29-81-27-25-79-23-17-62-53(74)41-12-10-39(11-13-41)42-14-15-47(69-20-18-68(5)19-21-69)46(30-42)66-54(75)44-34-63-50(73)32-45(44)58(59,60)61/h6-15,30,32,34,36,43,48,52,71H,16-29,31,33,35H2,1-5H3,(H,62,74)(H,63,73)(H,64,76)(H,66,75)(H,67,72)/t43-,48+,52-/m1/s1","","2022-10-12","2022-11-04","~{N}-[5-[4-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide","2022-11-09"],["92Y","(1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol","C16 H23 N O","c1cccc(c1)C32C(O)C(C(CC2)C3)CN(C)C;CN(C)C[CH]1[CH]2CC[C](C2)([CH]1O)c3ccccc3;CN(C)CC1C2CCC(C2)(C1O)c3ccccc3","InChI=1S/C16H23NO/c1-17(2)11-14-12-8-9-16(10-12,15(14)18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t12-,14-,15-,16+/m0/s1","","2017-03-30","2018-03-23","(1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol","2018-03-28"],["Q3Y","(3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid","C23 H21 Cl F N3 O4","n1(nc(c2c(F)cccc12)N3CC(C(C(=O)O)CC3)O)C(c4c(cccc4C5CC5)Cl)=O;O[CH]1CN(CC[CH]1C(O)=O)c2nn(C(=O)c3c(Cl)cccc3C4CC4)c5cccc(F)c25;c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CCC(C(C4)O)C(=O)O)F)C5CC5","InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1","","2019-09-19","2020-02-28","(3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid","2020-03-04"],["92Z","5-azanyl-3~{H}-pyridin-6-one","C5 H6 N2 O","NC1=CCC=NC1=O;C1C=C(C(=O)N=C1)N","InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h2-3H,1,6H2","","2017-04-13","2017-07-07","5-azanyl-3~{H}-pyridin-6-one","2017-07-12"],["930","6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE","C24 H23 Cl F N3 O3 S","Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCN(C3=O)c4ccc(cc4F)C5CCCN5","InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22-/m0/s1","","2011-02-02","2011-06-04","6-chloro-N-[(3S)-1-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide",""],["Q3Z","Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)","C20 H17 N5 O4 Pt","N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35;c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]([NH3])[NH3]","InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10;;;/h1-8H,9H2,(H,22,24,25);2*1H3;","","2023-03-23","2023-09-23","","2023-06-28"],["Q40","1-(2-phenylethyl)piperidine-4-carboxamide","C14 H20 N2 O","NC(=O)C1CCN(CCc2ccccc2)CC1;NC(=O)C1CCN(CC1)CCc2ccccc2;c1ccc(cc1)CCN2CCC(CC2)C(=O)N","InChI=1S/C14H20N2O/c15-14(17)13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)","","2022-06-01","2023-12-15","1-(2-phenylethyl)piperidine-4-carboxamide","2023-12-20"],["931","6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE","C24 H23 Cl F N3 O3 S","Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCN(C3=O)c4ccc(cc4F)C5CCCN5","InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22+/m1/s1","","2011-02-02","2011-06-04","6-chloro-N-[(3S)-1-[2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide",""],["Q41","2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium","C30 H32 F N4 O3","Cn1cc[n+](Cc2cc(c3CCN(Cc4cc(OC)cc(OC)c4)C(=O)c3c2)c2ccc(F)cc2C)c1N;COc1cc(CN2CCc3c(cc(C[n+]4ccn(C)c4N)cc3c5ccc(F)cc5C)C2=O)cc(OC)c1;Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[n+]5ccn(c5N)C)F","InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3/p+1","","2019-09-19","2024-05-08","2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium","2020-01-01"],["932","N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide","C18 H17 N5 O2 S","O=C2N(c1ccccc1CC2)CC(=O)Nc4scc(c4c3ncnn3)C;Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1c4[nH]ncn4;Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O","InChI=1S/C18H17N5O2S/c1-11-9-26-18(16(11)17-19-10-20-22-17)21-14(24)8-23-13-5-3-2-4-12(13)6-7-15(23)25/h2-5,9-10H,6-8H2,1H3,(H,21,24)(H,19,20,22)","","2010-12-09","2011-06-04","N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide",""],["Q42","(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid","C9 H15 N O2","OC(=O)[CH]1C[CH]2CCCC[CH]2N1;C1CCC2C(C1)CC(N2)C(=O)O","InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1","","2015-11-23","2015-11-27","(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid","2015-12-02"],["933","2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C16 H22 N4 O","O=C(c2c1nc(cnc1nc2)C3CC3)NC(C)C(C)(C)C;C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)C;CC(C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3","InChI=1S/C16H22N4O/c1-9(16(2,3)4)19-15(21)11-7-17-14-13(11)20-12(8-18-14)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,17,18)(H,19,21)/t9-/m0/s1","","2012-11-12","2013-01-11","2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-01-11"],["934","1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone","C19 H23 N7 O","Cn1cc(Nc2ncc3cccc(NC4CCN(CC4)C(C)=O)c3n2)cn1;CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C","InChI=1S/C19H23N7O/c1-13(27)26-8-6-15(7-9-26)22-17-5-3-4-14-10-20-19(24-18(14)17)23-16-11-21-25(2)12-16/h3-5,10-12,15,22H,6-9H2,1-2H3,(H,20,23,24)","1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one","2021-11-10","2022-08-22","1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone","2022-02-02"],["Q43","~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide","C56 H60 F3 N9 O7 S","CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCc5ccc(CC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)cc5;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)Cc4ccc(cc4)CNC(=O)c5ccc(cc5)c6ccc(c(c6)NC(=O)c7cnc(cc7C(F)(F)F)O)N8CCN(CC8)C)O","InChI=1S/C56H60F3N9O7S/c1-33-49(76-32-63-33)38-12-10-36(11-13-38)29-62-53(74)46-26-41(69)31-68(46)54(75)50(55(2,3)4)65-48(71)24-34-6-8-35(9-7-34)28-61-51(72)39-16-14-37(15-17-39)40-18-19-45(67-22-20-66(5)21-23-67)44(25-40)64-52(73)42-30-60-47(70)27-43(42)56(57,58)59/h6-19,25,27,30,32,41,46,50,69H,20-24,26,28-29,31H2,1-5H3,(H,60,70)(H,61,72)(H,62,74)(H,64,73)(H,65,71)/t41-,46+,50-/m1/s1","","2022-10-13","2022-11-04","~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide","2022-11-09"],["Q44","N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide","C7 H7 N5 O2","C1(N=C(NC(C)=O)Nc2c1ncn2)=O;CC(=O)NC1=NC(=O)c2nc[nH]c2N1;CC(=O)NC1=NC(=O)c2c([nH]cn2)N1","InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)","","2019-09-19","2020-07-17","N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide","2020-07-22"],["935","(E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine","C21 H25 F3 N4 O","FC(F)(F)c3cc(c1nc(C=[N@H])ccc1)ccc3OCCCN2CCN(CC2)C;CN1CCN(CCCOc2ccc(cc2C(F)(F)F)c3cccc(C=N)n3)CC1;CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C=N","InChI=1S/C21H25F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14-15,25H,3,8-13H2,1H3/b25-15+","","2010-06-04","2011-06-04","(E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine",""],["Q45","2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide","C15 H24 N4 O3 S","O=C(CN1CCCCC1CCNS(C)(=O)=O)Nc1cccnc1;C[S](=O)(=O)NCC[CH]1CCCCN1CC(=O)Nc2cccnc2;CS(=O)(=O)NCCC1CCCCN1CC(=O)Nc2cccnc2","InChI=1S/C15H24N4O3S/c1-23(21,22)17-9-7-14-6-2-3-10-19(14)12-15(20)18-13-5-4-8-16-11-13/h4-5,8,11,14,17H,2-3,6-7,9-10,12H2,1H3,(H,18,20)/t14-/m0/s1","","2023-08-18","2023-11-03","2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide","2023-11-08"],["936","5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE","C18 H16 N2 O6","[O-][N+](=O)c3ccc(OCc2c1c(C(=O)C=C(OC)C1=O)n(c2C)C)cc3;COC1=CC(=O)c2n(C)c(C)c(COc3ccc(cc3)[N+]([O-])=O)c2C1=O;Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]","InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3","","2001-11-12","2011-06-04","5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione",""],["Q46","Fe4 H S5","Fe4 H S5","S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24;S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25","InChI=1S/4Fe.H2S.4S/h;;;;1H2;;;;/q;;;+1;;4*+1/p-1","","2016-12-06","2017-06-09","","2017-06-14"],["937","1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE","C24 H27 F3 N8 O3","CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(CCO)c5c4n3)C(N)=O)c2;CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F","InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)","","2011-02-18","2011-06-04","1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide",""],["938","4-chloranylpyrimidin-5-amine","C4 H4 Cl N3","Nc1cncnc1Cl;c1c(c(ncn1)Cl)N","InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2","","2017-04-13","2017-07-07","4-chloranylpyrimidin-5-amine","2017-07-12"],["Q47","3-bromo dicyclotyrosine","C18 H17 Br N2 O4","Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(Br)c3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(c3)Br)O)O","InChI=1S/C18H17BrN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1","","2019-05-15","2020-04-17","(3~{S},6~{S})-3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","2020-04-22"],["Q49","(3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one","C11 H12 F N O2","CN1CCC(Oc2cc(F)ccc2)C1=O;CN1CC[CH](Oc2cccc(F)c2)C1=O;CN1CCC(C1=O)Oc2cccc(c2)F","InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3","","2022-06-01","2023-12-15","(3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one","2023-12-20"],["939","1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE","C22 H24 F3 N7 O2","O=C(N)c1cc(n(c1)C)c2nc(ncc2)Nc4cc(N3CCN(C)CC3)ccc4OC(F)(F)F;CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3nccc(n3)c4cc(cn4C)C(N)=O)c2;Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N","InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)","","2011-10-17","2014-05-14","1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide",""],["Q4A","N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine","C28 H38 N6 O2","O(c5cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)N4CCCN(C)CC4)cc5OC)C;COc1cc2nc(nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC)N5CCCN(C)CC5;CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC","InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)","","2009-01-06","2011-06-04","N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine",""],["93A","[3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","C9 H13 N4 O10 P S","O=P(O)(O)OCC3OC(n2cnc1C(=O)NS(=O)(=O)Nc12)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N[S](=O)(=O)Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O","InChI=1S/C9H13N4O10PS/c14-5-3(1-22-24(17,18)19)23-9(6(5)15)13-2-10-4-7(13)11-25(20,21)12-8(4)16/h2-3,5-6,9,11,14-15H,1H2,(H,12,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1","","2005-10-10","2011-06-04","7-(5-O-phosphono-beta-D-ribofuranosyl)-1,7-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide",""],["Q4B","Carborane nido-pentyl-sulfonamide","C7 H12 B9 N O2 S","N[S](=O)(=O)CCCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B31B823B966B744B622C45C321CCCCCS(=O)(=O)N","InChI=1S/C7H12B9NO2S/c17-20(18,19)5-3-1-2-4-7-6-8-10-9(7)13(7)11(6,7)12(6,8)14(8,10)15(9,10,13)16(11,12,13)14/h1-5H2,(H2,17,18,19)","","2020-05-07","2020-10-23","","2020-10-28"],["93B","1,3-diazinane-2-thione","C4 H8 N2 S","S=C1NCCCN1;C1CNC(=S)NC1","InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","","2017-04-13","2017-07-07","1,3-diazinane-2-thione","2017-07-12"],["Q4C","~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide","C25 H22 Cl F3 N4 O3","Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4;Cc1cc(cnc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(c(c3)F)F)N4CCOCC4","InChI=1S/C25H22ClF3N4O3/c1-14-8-16(33-4-6-36-7-5-33)13-30-23(14)32-25(35)17-10-18(21(28)11-19(17)26)24(34)31-12-15-2-3-20(27)22(29)9-15/h2-3,8-11,13H,4-7,12H2,1H3,(H,31,34)(H,30,32,35)","","2022-10-13","2024-09-27","~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide","2022-12-28"],["93C","N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide","C20 H17 N5 O2","c1ccnc(c1)c4ncc(C(=O)Nc3ccc(N2C(=O)CCC2)cc3)cn4;O=C1CCCN1c2ccc(NC(=O)c3cnc(nc3)c4ccccn4)cc2;c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O","InChI=1S/C20H17N5O2/c26-18-5-3-11-25(18)16-8-6-15(7-9-16)24-20(27)14-12-22-19(23-13-14)17-4-1-2-10-21-17/h1-2,4,6-10,12-13H,3,5,11H2,(H,24,27)","","2017-12-07","2018-08-31","N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide","2018-09-05"],["Q4D","(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide","C40 H52 Cl F2 N5 O7 S","C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)OCCN7CC(C7)(F)F)C)=O)(C(NS(=O)(N(C)C)=O)=O)O;CN(C)[S](=O)(=O)NC(=O)[C]1(O)CC(=O)N(C)CCC=C[CH](OCCN2CC(F)(F)C2)[CH]3CC[CH]3CN4C[C]5(CCCc6cc(Cl)ccc56)COc7ccc1cc47;CN1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F","InChI=1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1","","2019-09-20","2019-11-29","(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide","2019-12-04"],["93D","(1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol","C9 H15 N4 O6 P","P(OCC1C(O)CC(O1)c2cnc(nc2N)N)(O)(=O)O;Nc1ncc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c(N)n1;c1c(c(nc(n1)N)N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C9H15N4O6P/c10-8-4(2-12-9(11)13-8)6-1-5(14)7(19-6)3-18-20(15,16)17/h2,5-7,14H,1,3H2,(H2,15,16,17)(H4,10,11,12,13)/t5-,6+,7+/m0/s1","","2017-03-31","2018-03-02","(1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol","2018-03-07"],["Q4E","3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one","C16 H16 Cl N3 O S","CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1;CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl","InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3","","2020-05-07","2020-09-11","3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one","2020-09-16"],["93E","3-chloranylpyridin-2-amine","C5 H5 Cl N2","Nc1ncccc1Cl;c1cc(c(nc1)N)Cl","InChI=1S/C5H5ClN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)","","2017-04-13","2017-07-07","3-chloranylpyridin-2-amine","2017-07-12"],["Q4F","1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one","C14 H17 Cl N2 O","CC(=O)N1CC2CC1CN2Cc1cccc(Cl)c1;CC(=O)N1C[CH]2C[CH]1CN2Cc3cccc(Cl)c3;CC(=O)N1CC2CC1CN2Cc3cccc(c3)Cl","InChI=1S/C14H17ClN2O/c1-10(18)17-9-13-6-14(17)8-16(13)7-11-3-2-4-12(15)5-11/h2-5,13-14H,6-9H2,1H3/t13-,14-/m0/s1","","2023-08-18","2024-09-27","1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one","2023-11-08"],["93F","(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene","C24 H31 N3 O","COc1ccccc1CCCN2CC[CH]3[CH](C2)c4cccc5N(C)CCN3c45;CN1CCN2c3c1cccc3C4C2CCN(C4)CCCc5ccccc5OC","InChI=1S/C24H31N3O/c1-25-15-16-27-21-12-14-26(13-6-8-18-7-3-4-11-23(18)28-2)17-20(21)19-9-5-10-22(25)24(19)27/h3-5,7,9-11,20-21H,6,8,12-17H2,1-2H3/t20-,21-/m0/s1","","2022-01-01","2022-01-21","(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene","2022-01-26"],["Q4G","3-(3-fluorophenyl)benzoic acid","C13 H9 F O2","OC(=O)c1cccc(c1)c2cccc(F)c2;c1cc(cc(c1)C(=O)O)c2cccc(c2)F","InChI=1S/C13H9FO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16)","","2017-07-27","2018-01-05","3-(3-fluorophenyl)benzoic acid","2018-01-10"],["93G","9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE","C15 H15 N6 O4","O=C(N)c1c(O)ccc(c1)C(=O)C[n+]3c2N=C(NC(=O)c2n(c3)C)N;Cn1c[n+](CC(=O)c2ccc(O)c(c2)C(N)=O)c3N=C(N)NC(=O)c13;Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O","InChI=1S/C15H14N6O4/c1-20-6-21(13-11(20)14(25)19-15(17)18-13)5-10(23)7-2-3-9(22)8(4-7)12(16)24/h2-4,6H,5H2,1H3,(H5-,16,17,18,19,22,23,24,25)/p+1","","2013-10-10","2013-10-25","2-amino-9-[2-(3-carbamoyl-4-hydroxyphenyl)-2-oxoethyl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium","2013-10-30"],["Q4H","4-azanylpyrimidine-5-carbonitrile","C5 H4 N4","Nc1ncncc1C#N;c1c(c(ncn1)N)C#N","InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)","","2020-05-11","2021-05-14","4-azanylpyrimidine-5-carbonitrile","2021-05-19"],["93H","4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol","C17 H21 N O3","COc1ccc(CCNCCc2ccc(O)c(O)c2)cc1;COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O","InChI=1S/C17H21NO3/c1-21-15-5-2-13(3-6-15)8-10-18-11-9-14-4-7-16(19)17(20)12-14/h2-7,12,18-20H,8-11H2,1H3","","2017-04-13","2017-09-22","4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol","2017-09-27"],["Q4I","8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid","C68 H64 N12 O16 S","O=S(=O)(N)c1ccc(cc1)C(=O)NCc%10cc(OCCCCNC(=O)Nc3cccc2c(OCC(C)C)cc(nc23)C(=O)Nc5cccc4c(O)cc(nc45)C(=O)Nc7cccc6c(OCCCN)cc(nc67)C(=O)Nc8cccc9c(OCC(=O)O)cc(nc89)C(=O)O)ccc%10;CC(C)COc1cc(nc2c(NC(=O)NCCCCOc3cccc(CNC(=O)c4ccc(cc4)[S](N)(=O)=O)c3)cccc12)C(=O)Nc5cccc6c(O)cc(nc56)C(=O)Nc7cccc8c(OCCCN)cc(nc78)C(=O)Nc9cccc%10c(OCC(O)=O)cc(nc9%10)C(O)=O;CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O","InChI=1S/C68H64N12O16S/c1-37(2)35-95-56-32-52(75-62-44(56)16-9-20-49(62)80-68(90)71-26-3-4-27-93-40-12-5-11-38(29-40)34-72-63(84)39-21-23-41(24-22-39)97(70,91)92)66(87)77-46-17-6-13-42-54(81)30-50(73-59(42)46)64(85)78-47-18-7-14-43-55(94-28-10-25-69)31-51(74-60(43)47)65(86)79-48-19-8-15-45-57(96-36-58(82)83)33-53(67(88)89)76-61(45)48/h5-9,11-24,29-33,37H,3-4,10,25-28,34-36,69H2,1-2H3,(H,72,84)(H,73,81)(H,77,87)(H,78,85)(H,79,86)(H,82,83)(H,88,89)(H2,70,91,92)(H2,71,80,90)","","2013-10-11","2013-10-18","8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid","2013-10-23"],["93I","7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one","C21 H24 N4 O2","CC(Nc1ccccc1)C1=CC(C)=CN2C1=NC(=CC2=O)N1CCOCC1;C[CH](Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C;CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)Nc3ccccc3)N4CCOCC4","InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1","","2021-10-04","2021-11-26","(5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one","2021-12-01"],["Q4J","Pralsetinib","C27 H32 F N9 O2","c1c(nnc1Nc2cc(C)nc(n2)C3CCC(CC3)(OC)C(=O)NC(C)c4ccc(nc4)n5cc(cn5)F)C;CO[C]1(CC[CH](CC1)c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C(=O)N[CH](C)c4ccc(nc4)n5cc(F)cn5;Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)NC(C)c4ccc(nc4)n5cc(cn5)F)OC)C","InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27-/m0/s1","BLU-667; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide","2019-09-20","2021-03-13","trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide","2020-11-11"],["93J","(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide","C24 H23 Cl F N5 O2","c21c(cc(OCC)c(NC([C@H]=CCN(C)C)=O)c1)ncc(c2Nc3cc(c(cc3)F)Cl)C#N;CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C;CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F","InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+","","2017-04-03","2017-08-18","(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide","2017-08-23"],["Q4K","ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate","C10 H11 Br F N O3","CCOC(=O)[CH](F)[CH](O)c1ccc(Br)cn1;CCOC(=O)C(C(c1ccc(cn1)Br)O)F","InChI=1S/C10H11BrFNO3/c1-2-16-10(15)8(12)9(14)7-4-3-6(11)5-13-7/h3-5,8-9,14H,2H2,1H3/t8-,9+/m0/s1","","2020-05-11","2021-05-14","ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate","2021-05-19"],["93K","3,4-bis(azanyl)benzamide","C7 H9 N3 O","NC(=O)c1ccc(N)c(N)c1;c1cc(c(cc1C(=O)N)N)N","InChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)","","2017-04-13","2017-07-07","3,4-bis(azanyl)benzamide","2017-07-12"],["Q4L","methyl 4-(4-fluorophenyl)piperazine-1-carboxylate","C12 H15 F N2 O2","COC(=O)N1CCN(CC1)c1ccc(F)cc1;COC(=O)N1CCN(CC1)c2ccc(F)cc2;COC(=O)N1CCN(CC1)c2ccc(cc2)F","InChI=1S/C12H15FN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3","","2022-06-01","2023-12-15","methyl 4-(4-fluorophenyl)piperazine-1-carboxylate","2023-12-20"],["93L","(1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","C24 H28 N8 O2","CN1CCC(CC1)Nc2cc(nn3c(C)nnc23)C(=O)N4[CH]5CNC(=O)[CH]4Cc6ccccc56;Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4C5Cc6ccccc6C4CNC5=O","InChI=1S/C24H28N8O2/c1-14-27-28-22-18(26-16-7-9-30(2)10-8-16)12-19(29-32(14)22)24(34)31-20-11-15-5-3-4-6-17(15)21(31)13-25-23(20)33/h3-6,12,16,20-21,26H,7-11,13H2,1-2H3,(H,25,33)/t20-,21-/m0/s1","","2021-11-10","2022-08-22","(1~{R},9~{S})-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","2022-01-19"],["Q4M","[(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone","C21 H18 Cl N3 O2","c54c(cc(C(N2CC(c1c3c(ccc12)ncc3)CCl)=O)n4)cc(cc5)OC;COc1ccc2[nH]c(cc2c1)C(=O)N3C[CH](CCl)c4c3ccc5[nH]ccc45;COc1ccc2c(c1)cc([nH]2)C(=O)N3CC(c4c3ccc5c4cc[nH]5)CCl","InChI=1S/C21H18ClN3O2/c1-27-14-2-3-16-12(8-14)9-18(24-16)21(26)25-11-13(10-22)20-15-6-7-23-17(15)4-5-19(20)25/h2-9,13,23-24H,10-11H2,1H3/t13-/m1/s1","","2019-09-20","2020-09-18","[(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone","2020-09-23"],["93M","(3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)","C39 H59 N10 O21 P3 S","O=C(NCC(NC(CCCCNC(=O)CSCCNC(CCNC(=O)C(O)C(COP(OP(OCC3C(OP(O)(O)=O)C(C(n1cnc2c(N)ncnc12)O3)O)(O)=O)(O)=O)(C)C)=O)C(=O)O)=O)Cc4ccccc4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)NCCCC[CH](NC(=O)CNC(=O)Cc4ccccc4)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O","InChI=1S/C39H59N10O21P3S/c1-39(2,20-67-73(64,65)70-72(62,63)66-18-25-32(69-71(59,60)61)31(54)37(68-25)49-22-47-30-34(40)45-21-46-35(30)49)33(55)36(56)43-13-11-26(50)42-14-15-74-19-29(53)41-12-7-6-10-24(38(57)58)48-28(52)17-44-27(51)16-23-8-4-3-5-9-23/h3-5,8-9,21-22,24-25,31-33,37,54-55H,6-7,10-20H2,1-2H3,(H,41,53)(H,42,50)(H,43,56)(H,44,51)(H,48,52)(H,57,58)(H,62,63)(H,64,65)(H2,40,45,46)(H2,59,60,61)/t24-,25+,31+,32+,33-,37+/m0/s1","","2017-04-03","2017-07-21","(3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)","2017-07-26"],["Q4O","~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide","C23 H17 Cl F4 N2 O4","COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c(Cl)cc2F;COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(c(c3)F)OC(F)F","InChI=1S/C23H17ClF4N2O4/c1-33-19-5-3-2-4-12(19)11-29-21(31)15-9-14(16(24)10-17(15)25)22(32)30-13-6-7-20(18(26)8-13)34-23(27)28/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)","","2022-10-13","2022-12-23","~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide","2022-12-28"],["93N","6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile","C21 H23 F3 N4 O","N#Cc1nc(ccc1)c3ccc(OCCCN2CCN(CC2)C)c(c3)C(F)(F)F;CN1CCN(CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N)CC1;CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N","InChI=1S/C21H23F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14H,3,8-13H2,1H3","","2010-06-04","2011-06-04","6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile",""],["93O","2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","C27 H26 N2 O7","c1(nc(c(c(c1C(=O)OCCOC)c2cc(ccc2)[N+]([O-])=O)C(=O)OC[C@H]=Cc3ccccc3)C)C;COCCOC(=O)c1c(C)nc(C)c(C(=O)OCC=Cc2ccccc2)c1c3cccc(c3)[N+]([O-])=O;Cc1c(c(c(c(n1)C)C(=O)OCC=Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC","InChI=1S/C27H26N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17H,14-16H2,1-3H3/b11-8+","","2017-12-11","2019-03-08","2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","2019-03-13"],["Q4P","[(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone","C20 H14 Cl F N2 O2","c15c(cc(F)cc1)cc(C(N2CC(CCl)c3c4c(ccc23)occ4)=O)n5;Fc1ccc2[nH]c(cc2c1)C(=O)N3C[CH](CCl)c4c3ccc5occc45;c1cc2c(cc1F)cc([nH]2)C(=O)N3CC(c4c3ccc5c4cco5)CCl","InChI=1S/C20H14ClFN2O2/c21-9-12-10-24(17-3-4-18-14(19(12)17)5-6-26-18)20(25)16-8-11-7-13(22)1-2-15(11)23-16/h1-8,12,23H,9-10H2/t12-/m1/s1","","2019-09-20","2020-09-18","[(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone","2020-09-23"],["Q4Q","N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide","C14 H24 N2 O2 S","O=S(=O)(NCCN(CC)CC)Cc1ccc(cc1)C;CCN(CC)CCN[S](=O)(=O)Cc1ccc(C)cc1;CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C","InChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3","","2012-08-24","2014-09-05","N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide","2013-09-04"],["93P","(3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name)","C37 H56 N9 O20 P3 S","c1cccc(c1)CC(=O)NCC(NC(CCCCSCCNC(=O)CCNC(C(O)C(C)(C)COP(O)(OP(O)(=O)OCC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)OP(O)(O)=O)=O)=O)C(=O)O)=O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCCCC[CH](NC(=O)CNC(=O)Cc4ccccc4)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCCCC(C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O","InChI=1S/C37H56N9O20P3S/c1-37(2,19-63-69(60,61)66-68(58,59)62-18-24-30(65-67(55,56)57)29(50)35(64-24)46-21-44-28-32(38)42-20-43-33(28)46)31(51)34(52)40-12-11-25(47)39-13-15-70-14-7-6-10-23(36(53)54)45-27(49)17-41-26(48)16-22-8-4-3-5-9-22/h3-5,8-9,20-21,23-24,29-31,35,50-51H,6-7,10-19H2,1-2H3,(H,39,47)(H,40,52)(H,41,48)(H,45,49)(H,53,54)(H,58,59)(H,60,61)(H2,38,42,43)(H2,55,56,57)/t23-,24+,29+,30+,31-,35+/m0/s1","","2017-04-03","2017-07-21","(3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name)","2017-07-26"],["Q4R","N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide","C18 H18 N4 O3 S","O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21;CN(CC(=O)Nc1cnccc1C)[S](=O)(=O)c2cccc3cccnc23;Cc1ccncc1NC(=O)CN(C)S(=O)(=O)c2cccc3c2nccc3","InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23)","","2023-08-18","2023-11-03","N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide","2023-11-08"],["93Q","3-methylpyridin-2-amine","C6 H8 N2","Cc1cccnc1N;Cc1cccnc1N","InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)","","2017-04-13","2017-07-07","3-methylpyridin-2-amine","2017-07-12"],["Q4S","(4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide","C36 H47 Cl N4 O7 S","C1C3(c2c(CC1)cc(cc2)Cl)CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)OC)C)=O)(C(NS(=O)(N(C)C)=O)=O)O;CO[CH]1C=CCCN(C)C(=O)C[C](O)(C(=O)N[S](=O)(=O)N(C)C)c2ccc3OC[C]4(CCCc5cc(Cl)ccc45)CN(C[CH]6CC[CH]16)c3c2;CN1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC","InChI=1S/C36H47ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,44H,6-8,10,13,16-17,20-23H2,1-4H3,(H,38,43)/b9-5+/t25-,28+,31-,35-,36+/m0/s1","","2019-09-23","2019-11-29","(4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide","2019-12-04"],["93R","ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate","C18 H17 Cl2 N O4","O=C(c1c(nc(c(C(=O)OC)c1c2cccc(c2Cl)Cl)C)C)OCC;CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2cccc(Cl)c2Cl;CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C","InChI=1S/C18H17Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8H,5H2,1-4H3","","2017-12-11","2019-03-08","ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate","2019-03-13"],["Q4T","2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid","C26 H22 Cl F3 N2 O4","OC(=O)Cc1cc(F)ccc1NC(=O)c2cccc(c2F)c3cc(O[CH]4CCCNC4)c(Cl)cc3F;c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)OC4CCCNC4","InChI=1S/C26H22ClF3N2O4/c27-20-12-21(29)19(11-23(20)36-16-3-2-8-31-13-16)17-4-1-5-18(25(17)30)26(35)32-22-7-6-15(28)9-14(22)10-24(33)34/h1,4-7,9,11-12,16,31H,2-3,8,10,13H2,(H,32,35)(H,33,34)/t16-/m1/s1","","2020-05-11","2020-09-11","2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid","2020-09-16"],["93S","N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)","C20 H24 Cl2 N4 O7 S2","C(=O)(NS(c1cc(Cl)ccc1)(=O)=O)NCCCOCCCNC(=O)NS(c2cc(Cl)ccc2)(=O)=O;Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCOCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl","InChI=1S/C20H24Cl2N4O7S2/c21-15-5-1-7-17(13-15)34(29,30)25-19(27)23-9-3-11-33-12-4-10-24-20(28)26-35(31,32)18-8-2-6-16(22)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H2,23,25,27)(H2,24,26,28)","","2017-04-03","2019-01-04","N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)","2019-01-09"],["Q4U","N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide","C9 H14 N2 O2","O=C(N(CC)CC)c1cc(C)no1;CCN(CC)C(=O)c1onc(C)c1;CCN(CC)C(=O)c1cc(no1)C","InChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3","","2022-06-01","2023-12-15","N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide","2023-12-20"],["93T","3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid","C17 H16 Br N3 O2","Cc1nc2cc(nn2c(C)c1CCC(O)=O)c3ccc(Br)cc3;Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O","InChI=1S/C17H16BrN3O2/c1-10-14(7-8-17(22)23)11(2)21-16(19-10)9-15(20-21)12-3-5-13(18)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,22,23)","","2017-04-13","2018-05-11","3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid","2018-05-16"],["Q4V","(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid","C33 H39 Cl N2 O6","C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)O)C)=O)(C(O)=O)O;CN1CCC=C[CH](O)[CH]2CC[CH]2CN3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)[C](O)(CC1=O)C(O)=O;CN1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(CC1=O)(C(=O)O)O)O","InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/m0/s1","","2019-09-23","2019-11-29","(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid","2019-12-04"],["93U","2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","C26 H27 N3 O6","c2(C)c(C(=O)OC)c(c1cc(ccc1)[N+](=O)[O-])c(c(n2)C)C(OCCN(C)Cc3ccccc3)=O;COC(=O)c1c(C)nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c1c3cccc(c3)[N+]([O-])=O;Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC","InChI=1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3","","2017-12-11","2019-03-08","2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","2019-03-13"],["Q4W","6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one","C15 H16 Cl N3 O S","CC(C)[CH]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O;CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl","InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3/t14-/m0/s1","","2020-05-12","2020-09-11","6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one","2020-09-16"],["93V","2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid","C13 H10 O6","C(O)(c2c(c1ccc(cc1)OC)occ2C(=O)O)=O;COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O;COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O","InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)","","2017-04-03","2019-01-04","2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid","2019-01-09"],["Q4X","5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid","C20 H19 F2 N3 O5 S","O=C(O)C=1CCOCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1;OC(=O)C1=C(COCC1)C(=O)Nc2sc3CC(F)(F)CCc3c2c4onc(n4)C5CC5;C1CC(Cc2c1c(c(s2)NC(=O)C3=C(CCOC3)C(=O)O)c4nc(no4)C5CC5)(F)F","InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)12-8-29-6-4-10(12)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)","","2023-05-05","2023-06-09","5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid","2023-06-14"],["93W","(2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid","C21 H16 Cl N3 O4","OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3nc(Cl)c4ccccc4c3O;c1ccc2c(c1)c(c(nc2Cl)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)O","InChI=1S/C21H16ClN3O4/c22-19-14-7-2-1-6-13(14)18(26)17(25-19)20(27)24-16(21(28)29)9-11-10-23-15-8-4-3-5-12(11)15/h1-8,10,16,23,26H,9H2,(H,24,27)(H,28,29)/t16-/m1/s1","","2017-04-17","2017-05-12","(2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid","2017-05-17"],["Q4Y","(4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid","C30 H35 Cl N2 O5","C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CC=CCCCC5)C)=O)(C(O)=O)O;CN1CC=CCCCC[N]2C[C]3(CCCc4cc(Cl)ccc34)COc5ccc(cc25)[C](O)(CC1=O)C(O)=O;CN1CC=CCCCCN2CC3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)C(CC1=O)(C(=O)O)O","InChI=1S/C30H35ClN2O5/c1-32-14-5-3-2-4-6-15-33-19-29(13-7-8-21-16-23(31)10-11-24(21)29)20-38-26-12-9-22(17-25(26)33)30(37,28(35)36)18-27(32)34/h3,5,9-12,16-17,37H,2,4,6-8,13-15,18-20H2,1H3,(H,35,36)/b5-3+/t29-,30+/m0/s1","","2019-09-23","2019-11-29","(4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid","2019-12-04"],["93X","(3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","C20 H23 N O7","COc1ccc(cc1O)[CH]2[CH](CO)C(=O)N2c3cc(OC)c(OC)c(OC)c3;COc1ccc(cc1O)C2C(C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO","InChI=1S/C20H23NO7/c1-25-15-6-5-11(7-14(15)23)18-13(10-22)20(24)21(18)12-8-16(26-2)19(28-4)17(9-12)27-3/h5-9,13,18,22-23H,10H2,1-4H3/t13-,18-/m0/s1","","2017-12-12","2017-12-29","(3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","2018-01-03"],["Q4Z","[(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate","C8 H13 N O8 S","CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO[S]([O-])(=O)=O)O[CH]2O1;CC1=[NH+]C2C(C(C(OC2O1)COS(=O)(=O)[O-])O)O","InChI=1S/C8H13NO8S/c1-3-9-5-7(11)6(10)4(17-8(5)16-3)2-15-18(12,13)14/h4-8,10-11H,2H2,1H3,(H,12,13,14)/t4-,5-,6-,7-,8+/m1/s1","","2020-05-12","2021-05-14","[(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate","2021-05-19"],["93Y","N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)","C20 H24 Cl2 N4 O6 S2","C(=O)(NCCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O;Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl","InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)","","2017-04-03","2019-01-04","N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)","2019-01-09"],["Q50","{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER","C38 H47 N5 O7","O=C(OC(C)(C)C)NC(C(=O)CC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCC(=O)N)Cc2ccccc2)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)C(=O)C[CH](Cc2ccccc2)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](Cc3ccccc3)C(N)=O;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)CC(Cc2ccccc2)C(=O)NC(CCC(=O)N)C(=O)NC(Cc3ccccc3)C(=O)N","InChI=1S/C38H47N5O7/c1-38(2,3)50-37(49)43-30(22-26-15-9-5-10-16-26)32(44)24-28(21-25-13-7-4-8-14-25)35(47)41-29(19-20-33(39)45)36(48)42-31(34(40)46)23-27-17-11-6-12-18-27/h4-18,28-31H,19-24H2,1-3H3,(H2,39,45)(H2,40,46)(H,41,47)(H,42,48)(H,43,49)/t28-,29+,30+,31+/m1/s1","","2002-10-04","2011-06-04","N~2~-{(2R,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-oxo-6-phenylhexanoyl}-L-glutaminyl-L-phenylalaninamide",""],["93Z","[(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate","C7 H14 O9 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(C1OS(=O)(=O)O)O)O)O)O)O","InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3-,4+,5-,6+,7+/m1/s1","","2017-04-17","2024-09-27","[(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate","2017-08-09"],["Q51","(4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","C32 H39 Cl N2 O5 S","C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(C(CC=CC(C6C(C5)CC6)O)C)C)(=O)=O)=O;C[CH]1CC=C[CH](O)[CH]2CC[CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[S](=O)(=O)[CH]1C;CC1CC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)C1C)O","InChI=1S/C32H39ClN2O5S/c1-20-5-3-7-29(36)26-11-8-24(26)17-35-18-32(14-4-6-22-15-25(33)10-12-27(22)32)19-40-30-13-9-23(16-28(30)35)31(37)34-41(38,39)21(20)2/h3,7,9-10,12-13,15-16,20-21,24,26,29,36H,4-6,8,11,14,17-19H2,1-2H3,(H,34,37)/b7-3+/t20-,21+,24-,26+,29-,32-/m0/s1","","2019-09-23","2019-11-29","(4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione","2019-12-04"],["940","(2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C31 H38 N2 O6 S","Cc1ccc(cc1C)c2c(C)c(c3ccc4OCCNc4c3)c([CH](OC(C)(C)C)C(O)=O)c(C)c2N[S](C)(=O)=O;Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)C(C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C","InChI=1S/C31H38N2O6S/c1-17-9-10-21(15-18(17)2)26-19(3)25(22-11-12-24-23(16-22)32-13-14-38-24)27(20(4)28(26)33-40(8,36)37)29(30(34)35)39-31(5,6)7/h9-12,15-16,29,32-33H,13-14H2,1-8H3,(H,34,35)/t29-/m0/s1","","2019-12-27","2020-09-18","(2~{S})-2-[2-(3,4-dihydro-2~{H}-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2020-09-23"],["Q52","~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine","C23 H27 Cl N4 O","COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1;COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl","InChI=1S/C23H27ClN4O/c1-29-22-7-6-21-23(27-22)18(8-12-25-21)9-13-28-14-10-20(11-15-28)26-16-17-2-4-19(24)5-3-17/h2-8,12,20,26H,9-11,13-16H2,1H3","","2020-05-13","2020-11-06","~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine","2020-11-11"],["941","2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID","C29 H36 N2 O12","O=C(O)C(Oc1ccc(cc1)CC(NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)C(=O)O;COC(=O)c1c(O)cccc1OCCCCNC(=O)[CH](Cc2ccc(OC(C(O)=O)C(O)=O)cc2)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O","InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(16-17-10-12-18(13-11-17)42-23(25(34)35)26(36)37)24(33)30-14-5-6-15-41-21-9-7-8-20(32)22(21)27(38)40-4/h7-13,19,23,32H,5-6,14-16H2,1-4H3,(H,30,33)(H,31,39)(H,34,35)(H,36,37)/t19-/m0/s1","COMPOUND 15","2003-07-22","2021-03-01","{4-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenoxy}propanedioic acid",""],["Q53"," (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H19 N3 O5 S","CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O)C(O)=O;CC1=C(NC(SC1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O)O","InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10,12,14,19H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/t10-,12+,14-/m1/s1","cephalexin","2023-03-23","2024-09-27","(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2024-05-15"],["942","N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzamide","C16 H20 N4 O3","O=C(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)CCCC)C;CCCCN1C(=O)NC(=O)C(=C1N)N(C)C(=O)c2ccccc2;CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N","InChI=1S/C16H20N4O3/c1-3-4-10-20-13(17)12(14(21)18-16(20)23)19(2)15(22)11-8-6-5-7-9-11/h5-9H,3-4,10,17H2,1-2H3,(H,18,21,23)","","2012-07-27","2014-09-05","N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide","2012-10-26"],["Q54","(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid","C24 H26 Cl N O3","c5c(Cl)cc4CCCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5;OC(=O)c1ccc2OC[C]3(CCCc4cc(Cl)ccc34)CN(CC5CCC5)c2c1;c1cc2c(cc1C(=O)O)N(CC3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5","InChI=1S/C24H26ClNO3/c25-19-7-8-20-17(11-19)5-2-10-24(20)14-26(13-16-3-1-4-16)21-12-18(23(27)28)6-9-22(21)29-15-24/h6-9,11-12,16H,1-5,10,13-15H2,(H,27,28)/t24-/m0/s1","","2019-09-23","2019-12-06","(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid","2019-12-11"],["943","2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid","C18 H12 Cl2 N2 O2","OC(=O)c1ccccc1Nc2c(Cl)cc(cc2Cl)c3ccncc3;c1ccc(c(c1)C(=O)O)Nc2c(cc(cc2Cl)c3ccncc3)Cl","InChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24)","","2022-01-01","2022-07-01","2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid","2022-07-06"],["Q55","4S/3694","C21 H20 N6 O2","COc1ncccc1Nc2nccc(n2)c3cc(C#N)c4NC[C](C)(CO)c4c3;CC1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO","InChI=1S/C21H20N6O2/c1-21(12-28)11-25-18-14(10-22)8-13(9-15(18)21)16-5-7-24-20(26-16)27-17-4-3-6-23-19(17)29-2/h3-9,25,28H,11-12H2,1-2H3,(H,24,26,27)/t21-/m0/s1","(3~{S})-3-(hydroxymethyl)-5-[2-[(2-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile","2020-05-17","2021-03-13","(3~{S})-3-(hydroxymethyl)-5-[2-[(2-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile","2020-07-08"],["945","[(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate","C7 H14 O9 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(C1OS(=O)(=O)O)O)O)O)O)O","InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1","","2017-04-17","2017-08-04","[(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate","2017-08-09"],["Q56","N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C25 H33 N3 O8 S","CC(C)CC(NC(=O)OCc1cc2ccccc2cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1ccc2ccccc2c1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc3ccccc3c2","InChI=1S/C25H33N3O8S/c1-15(2)11-20(28-25(32)36-14-16-7-8-17-5-3-4-6-18(17)12-16)23(30)27-21(24(31)37(33,34)35)13-19-9-10-26-22(19)29/h3-8,12,15,19-21,24,31H,9-11,13-14H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t19-,20-,21-,24-/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-1-hydroxy-2-[(N-{[(naphthalen-2-yl)methoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-05-04"],["946","4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol","C19 H19 N O3","O[CH](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3;c1ccc2cc(ccc2c1)CNCC(c3ccc(c(c3)O)O)O","InChI=1S/C19H19NO3/c21-17-8-7-16(10-18(17)22)19(23)12-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,19-23H,11-12H2/t19-/m0/s1","(1-(3,4-dihydroxyphenyl)-2-((naphthalen-1-ylmethyl)amino)ethan-1-one","2017-12-13","2020-06-17","4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol","2018-11-21"],["Q57","(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid","C25 H28 Cl N O4","c5c(Cl)cc4c(C2(COc1ccc(C(O)C(O)=O)cc1N(C2)CC3CCC3)CCC4)c5;O[CH](C(O)=O)c1ccc2OC[C]3(CCCc4cc(Cl)ccc34)CN(CC5CCC5)c2c1;c1cc2c(cc1C(C(=O)O)O)N(CC3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5","InChI=1S/C25H28ClNO4/c26-19-7-8-20-17(11-19)5-2-10-25(20)14-27(13-16-3-1-4-16)21-12-18(23(28)24(29)30)6-9-22(21)31-15-25/h6-9,11-12,16,23,28H,1-5,10,13-15H2,(H,29,30)/t23-,25+/m1/s1","","2019-09-23","2019-12-06","(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid","2019-12-11"],["947","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide","C18 H16 Br N3 O3 S2","C(=O)(NS(c1cc(c(cc1)c2ccccc2)CC)(=O)=O)Nc3sc(Br)cn3;CCc1cc(ccc1c2ccccc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3;CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C18H16BrN3O3S2/c1-2-12-10-14(8-9-15(12)13-6-4-3-5-7-13)27(24,25)22-17(23)21-18-20-11-16(19)26-18/h3-11H,2H2,1H3,(H2,20,21,22,23)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide","2019-01-09"],["Q58","DesF-3R/4076","C26 H30 N6 O4","COc1cc(ccc1Nc2nccc(n2)c3cnc4NC[C](C)(CO)c4c3)C(=O)NC5CCOCC5;CC1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO","InChI=1S/C26H30N6O4/c1-26(15-33)14-29-23-19(26)11-17(13-28-23)20-5-8-27-25(31-20)32-21-4-3-16(12-22(21)35-2)24(34)30-18-6-9-36-10-7-18/h3-5,8,11-13,18,33H,6-7,9-10,14-15H2,1-2H3,(H,28,29)(H,30,34)(H,27,31,32)/t26-/m1/s1","4-[[4-[(3~{R})-3-(hydroxymethyl)-3-methyl-1,2-dihydropyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]amino]-3-methoxy-~{N}-(oxan-4-yl)benzamide","2020-05-17","2021-03-13","4-[[4-[(3~{R})-3-(hydroxymethyl)-3-methyl-1,2-dihydropyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]amino]-3-methoxy-~{N}-(oxan-4-yl)benzamide","2020-07-08"],["948","(1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","C7 H13 N O4","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12;C(C1C2C(N2)C(C(C1O)O)O)O","InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6-,7-/m0/s1","","2017-04-17","2017-08-04","(1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","2017-08-09"],["Q5A","N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide","C19 H23 F N4 O2 S","Cc1nc(sc1)NC(C2CCN(CC2)C(N(C)Cc3ccc(cc3)F)=O)=O;CN(Cc1ccc(F)cc1)C(=O)N2CCC(CC2)C(=O)Nc3scc(C)n3;Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F","InChI=1S/C19H23FN4O2S/c1-13-12-27-18(21-13)22-17(25)15-7-9-24(10-8-15)19(26)23(2)11-14-3-5-16(20)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,21,22,25)","","2019-09-23","2020-03-13","N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide","2020-03-18"],["949","4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide","C18 H16 F N O4 S","CC1(C)OC(=C(C1=O)c2cccc(F)c2)c3ccc(cc3)[S](N)(=O)=O;CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C","InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)","Polmacoxib","2016-07-22","2021-03-01","4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide","2017-05-24"],["Q5B","(3S)-citryl-Coenzyme A","C27 H42 N7 O22 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[C](O)(CC(O)=O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CC(=O)O)(C(=O)O)O)O","InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1","(2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid","2020-05-18","2021-05-21","(2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid","2021-05-26"],["94A","(4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate","C19 H26 N4 O4","O=C(NC(C)C)OC1CCC(c2c1nnn2Cc3ccc(OC)cc3)(C)O;COc1ccc(Cn2nnc3[CH](CC[C](C)(O)c23)OC(=O)NC(C)C)cc1;CC(C)NC(=O)OC1CCC(c2c1nnn2Cc3ccc(cc3)OC)(C)O","InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19+/m1/s1","","2015-08-12","2024-09-27","(4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate","2016-01-13"],["Q5C","N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide","C15 H16 N4 O2","O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1;Cc1ccncc1NC(=O)CNC(=O)Cc2cccnc2;Cc1ccncc1NC(=O)CNC(=O)Cc2cccnc2","InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21)","","2023-08-18","2023-11-03","N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide","2023-11-08"],["94B","(1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","C7 H13 N O4","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12;C(C1C2C(N2)C(C(C1O)O)O)O","InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5+,6-,7-/m0/s1","","2017-04-17","2017-08-04","(1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","2017-08-09"],["Q5D","4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide","C16 H14 N2 O S","c1(ccc(cc1)C(N(C2CC2)Cc3sccc3)=O)C#N;O=C(N(Cc1sccc1)C2CC2)c3ccc(cc3)C#N;c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N","InChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2","","2019-09-23","2019-11-08","4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide","2019-11-13"],["94C","1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one","C21 H19 Cl F2 N4 O","CCC(=O)N1CCN(CC1)c2ncnc3c(F)c(c(Cl)cc23)c4ccccc4F;CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl","InChI=1S/C21H19ClF2N4O/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)23)19(24)20(14)25-12-26-21/h3-6,11-12H,2,7-10H2,1H3","","2017-12-14","2024-09-27","1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one","2018-04-18"],["Q5E","1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione","C15 H13 Cl6 N O4","OC(=O)CCCCCN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl;C(CCC(=O)O)CCN1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C15H13Cl6NO4/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(25)22(12(8)26)5-3-1-2-4-6(23)24/h7-8H,1-5H2,(H,23,24)/t7-,8+,13+,14-","6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-\nen-4-yl]hexanoic acid","2020-05-18","2021-05-21","6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]hexanoic acid","2021-05-26"],["94D","{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid","C11 H15 N2 O4 P S","c2(c1c(sc(N)n1)CC(C)C)ccc(o2)P(O)(O)=O;CC(C)Cc1sc(N)nc1c2oc(cc2)[P](O)(O)=O;CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O","InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)","","2017-04-03","2019-01-04","{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid","2019-01-09"],["Q5F","N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide","C14 H14 Cl N O2 S","C(COc1c(C)cc(cc1)Cl)NC(c2sccc2)=O;Cc1cc(Cl)ccc1OCCNC(=O)c2sccc2;Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl","InChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)","","2017-04-26","2017-07-07","N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide","2017-07-12"],["94E","(3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol","C7 H12 O8 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12;C(C1C(C(C(C2C1OS(=O)(=O)O2)O)O)O)O","InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6+,7-/m1/s1","","2017-04-17","2017-08-04","(3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol","2017-08-09"],["Q5G","3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid","C14 H16 N2 O5 S","C(=O)(O)CCSCC(N2c1c(cccc1)OC(C2)C(N)=O)=O;NC(=O)[CH]1CN(C(=O)CSCCC(O)=O)c2ccccc2O1;c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CSCCC(=O)O","InChI=1S/C14H16N2O5S/c15-14(20)11-7-16(9-3-1-2-4-10(9)21-11)12(17)8-22-6-5-13(18)19/h1-4,11H,5-8H2,(H2,15,20)(H,18,19)/t11-/m1/s1","","2019-09-23","2019-11-08","3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid","2019-11-13"],["94F","1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one","C22 H19 Cl F4 N4 O","CCC(=O)N1CCN(CC1)c2ncnc3c(F)c(c(Cl)cc23)c4ccccc4C(F)(F)F;CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl","InChI=1S/C22H19ClF4N4O/c1-2-17(32)30-7-9-31(10-8-30)21-14-11-16(23)18(19(24)20(14)28-12-29-21)13-5-3-4-6-15(13)22(25,26)27/h3-6,11-12H,2,7-10H2,1H3","","2017-12-14","2024-09-27","1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one","2018-04-18"],["Q5H","3-acetamido-2-methylbenzoic acid","C10 H11 N O3","O=C(C)Nc1cccc(c1C)C(=O)O;CC(=O)Nc1cccc(C(O)=O)c1C;Cc1c(cccc1NC(=O)C)C(=O)O","InChI=1S/C10H11NO3/c1-6-8(10(13)14)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)","","2022-06-01","2023-12-15","3-acetamido-2-methylbenzoic acid","2023-12-20"],["94G","N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide","C12 H9 Br Cl N3 O3 S","c1(nccc(c1)Br)NC(=O)NS(c2ccc(Cl)cc2)(=O)=O;Clc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cc(Br)ccn2;c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl","InChI=1S/C12H9BrClN3O3S/c13-8-5-6-15-11(7-8)16-12(18)17-21(19,20)10-3-1-9(14)2-4-10/h1-7H,(H2,15,16,17,18)","","2017-04-03","2019-01-04","N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide","2019-01-09"],["Q5J","4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide","C17 H16 N4 O2 S","c1c(c3c(c(c1)NS(=O)(=O)c2ccc(cc2)CN)ncc3C#N)C;Cc1ccc(N[S](=O)(=O)c2ccc(CN)cc2)c3[nH]cc(C#N)c13;Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN","InChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3","","2019-09-23","2019-12-13","4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide","2019-12-18"],["94H","~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide","C20 H18 N4 O S","NC[CH](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4;c1ccc(cc1)C(CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4","InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)/t17-/m0/s1","","2017-04-18","2017-07-07","~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide","2017-07-12"],["Q5K","(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide","C19 H16 F N3 O4 S","OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1;O[CH](C(=O)Nc1ccccc1N[S](=O)(=O)c2ccc(F)cc2)c3cccnc3;c1ccc(c(c1)NC(=O)C(c2cccnc2)O)NS(=O)(=O)c3ccc(cc3)F","InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1","","2023-08-18","2023-11-03","(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide","2023-11-08"],["94I","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide","C16 H21 N9 O","NC(=N)NC(=O)c1nc(c2cncnc2)c(nc1N)N3CCCCCC3;c1c(cncn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3","InChI=1S/C16H21N9O/c17-13-12(15(26)24-16(18)19)22-11(10-7-20-9-21-8-10)14(23-13)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H2,17,23)(H4,18,19,24,26)","","2018-02-16","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide","2018-12-19"],["Q5L","N-(propan-2-yl)-1H-pyrazole-3-carboxamide","C7 H11 N3 O","O=C(NC(C)C)c1cc[NH]n1;CC(C)NC(=O)c1cc[nH]n1;CC(C)NC(=O)c1cc[nH]n1","InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11)","","2022-06-01","2023-12-15","N-(propan-2-yl)-1H-pyrazole-3-carboxamide","2023-12-20"],["94J","N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)","C19 H22 Cl2 N4 O6 S2","C(=O)(NCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O;Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl","InChI=1S/C19H22Cl2N4O6S2/c20-14-6-4-8-16(12-14)32(28,29)24-18(26)22-10-2-1-3-11-23-19(27)25-33(30,31)17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2,(H2,22,24,26)(H2,23,25,27)","","2017-04-03","2019-01-04","N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)","2019-01-09"],["Q5M","4-(naphthalen-1-yl)-4-oxobutanoic acid","C14 H12 O3","c1(C(CCC(O)=O)=O)cccc2c1cccc2;OC(=O)CCC(=O)c1cccc2ccccc12;c1ccc2c(c1)cccc2C(=O)CCC(=O)O","InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)","","2019-09-23","2019-11-08","4-(naphthalen-1-yl)-4-oxobutanoic acid","2019-11-13"],["94K","~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide","C20 H19 Cl N2 O S","Cc1sc(cc1C(=O)N[CH](CN)c2ccccc2)c3ccccc3Cl;Cc1c(cc(s1)c2ccccc2Cl)C(=O)NC(CN)c3ccccc3","InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1","","2017-04-18","2017-07-07","~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide","2017-07-12"],["94L","3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C24 H22 N2 O5","CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C;Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C","InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3","","2017-12-14","2019-01-11","3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2019-01-16"],["Q5N","BCV-L6","C41 H47 F N10 O12","CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CCCCNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)C(CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O","InChI=1S/C41H47FN10O12/c1-24(53)44-20-27-22-52(41(62)64-27)26-11-12-32(30(42)18-26)49-14-16-50(17-15-49)40(61)63-23-51-21-25(47-48-51)19-45-39(60)31(46-38(59)29-7-5-10-34(55)36(29)57)8-2-3-13-43-37(58)28-6-4-9-33(54)35(28)56/h4-7,9-12,18,21,27,31,54-57H,2-3,8,13-17,19-20,22-23H2,1H3,(H,43,58)(H,44,53)(H,45,60)(H,46,59)/t27?,31-/m0/s1","[4-[[[(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{R})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate","2020-05-18","2021-03-13","[4-[[[(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{R})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate","2021-01-20"],["Q5O","~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide","C23 H17 Cl F4 N2 O3","Cc1cc(OC(F)F)ccc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)cc3;Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3)F)OC(F)F","InChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)","","2022-10-14","2024-09-27","~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide","2022-12-28"],["94M","6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine","C14 H15 Cl N6 O","Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N;COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C;Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N","InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)","BIIB021","2010-07-30","2022-09-28","6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine",""],["Q5Q","3,6-dibromo-1-(hydroxymethyl)carbazole","C13 H9 Br2 N O","Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1;Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O","InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3","3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol","2020-05-18","2021-06-04","3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol","2021-06-09"],["94N","2,6-bis(bromanyl)phenol","C6 H4 Br2 O","Oc1c(Br)cccc1Br;c1cc(c(c(c1)Br)O)Br","InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H","","2016-10-31","2017-07-07","2,6-bis(bromanyl)phenol","2017-07-12"],["Q5R","4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one","C20 H19 N3 O2","O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1;O=C1Nc2ccccc2C(=C1)C(=O)N3CCN(CC3)c4ccccc4;c1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)Nc4c3cccc4","InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)","","2023-08-18","2023-11-03","4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one","2023-11-08"],["94O","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3H)-dione","C19 H16 N3 O8 P","P(O)(OCC1C(CC(O1)N5C(=O)N=C2C(C=C4C(=N2)c3ccccc3C4=O)=C5)O)(O)=O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3C=C4C(=O)c5ccccc5C4=NC3=NC2=O;c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)C5CC(C(O5)COP(=O)(O)O)O","InChI=1S/C19H16N3O8P/c23-13-6-15(30-14(13)8-29-31(26,27)28)22-7-9-5-12-16(20-18(9)21-19(22)25)10-3-1-2-4-11(10)17(12)24/h1-5,7,13-15,23H,6,8H2,(H2,26,27,28)/t13-,14+,15+/m0/s1","","2017-12-14","2018-11-16","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3H)-dione","2018-11-21"],["94Q","~{S}-[2-[3-[[(2~{S})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate","C35 H56 N9 O17 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(CCC#C)N=N4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O","InChI=1S/C35H56N9O17P3S/c1-4-5-14-35(42-43-35)15-11-9-7-6-8-10-12-25(46)65-18-17-37-24(45)13-16-38-32(49)29(48)34(2,3)20-58-64(55,56)61-63(53,54)57-19-23-28(60-62(50,51)52)27(47)33(59-23)44-22-41-26-30(36)39-21-40-31(26)44/h1,21-23,27-29,33,47-48H,5-20H2,2-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/t23-,27-,28-,29-,33-/m1/s1","Myristoyl-CoA analogue X10","2017-04-18","2021-03-01","~{S}-[2-[3-[[(2~{S})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate","2018-05-30"],["Q5S","2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(S)-hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose","C48 H81 N O12 P2","C(/C=C(CC[C@H]=C(C)C)C)CC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]COP(O)(=O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(C)=O;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C)C)C)C)C","InChI=1S/C48H81NO12P2/c1-35(2)18-11-19-36(3)20-12-21-37(4)22-13-23-38(5)24-14-25-39(6)26-15-27-40(7)28-16-29-41(8)30-17-31-42(9)32-33-58-62(54,55)61-63(56,57)60-48-45(49-43(10)51)47(53)46(52)44(34-50)59-48/h18,20,22,24,26,28,30,32,44-48,50,52-53H,11-17,19,21,23,25,27,29,31,33-34H2,1-10H3,(H,49,51)(H,54,55)(H,56,57)/b36-20-,37-22-,38-24-,39-26-,40-28-,41-30-,42-32-/t44-,45-,46-,47-,48-/m1/s1","","2019-09-24","2020-01-24","2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(S)-hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose","2020-01-29"],["94R","(3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol","C28 H46 O","C1C2(C(CC(O)C1)=CCC4C2CCC3(C)C(CCC34)C(CC/C(C(C)C)=C)C)C;CC(C)C(=C)CC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1","24-methylenecholesterol","2017-12-18","2020-06-17","(3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol","2018-08-08"],["Q5T","(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide","C44 H80 N8 O13 S2","CC[CH](NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[CH]1[SH]=C[CH]2NC(=O)N[CH]12)C(=O)N[CH](C(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(N)=O)CC[S](C)(=O)=O)C(C)(C)C;CCC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1C2C(C=S1)NC(=O)N2","InChI=1S/C44H80N8O13S2/c1-8-31(40(56)52-39(44(4,5)6)42(58)49-32(27-29(2)3)41(57)47-30(13-14-35(45)53)16-26-67(7,60)61)48-37(55)15-18-62-20-22-64-24-25-65-23-21-63-19-17-46-36(54)12-10-9-11-34-38-33(28-66-34)50-43(59)51-38/h28-34,38-39,66H,8-27H2,1-7H3,(H2,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,58)(H,52,56)(H2,50,51,59)/t30-,31-,32-,33-,34+,38-,39+/m0/s1","","2020-05-18","2024-09-27","(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide","2020-06-17"],["Q5U","1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine","C10 H13 N O2","CNCC1COc2ccccc2O1;CNC[CH]1COc2ccccc2O1;CNCC1COc2ccccc2O1","InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3","","2022-06-01","2023-12-15","1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine","2023-12-20"],["94S","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide","C15 H18 Br N3 O4 S2","C(=O)(NS(c1cc(CC(C)C)c(cc1)OC)(=O)=O)Nc2sc(Br)cn2;COc1ccc(cc1CC(C)C)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br","InChI=1S/C15H18BrN3O4S2/c1-9(2)6-10-7-11(4-5-12(10)23-3)25(21,22)19-14(20)18-15-17-8-13(16)24-15/h4-5,7-9H,6H2,1-3H3,(H2,17,18,19,20)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide","2019-01-09"],["Q5V","N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine","C27 H24 F3 N3 O8 S2","c1c(ccc(c1)OC)S(=O)(=O)N(CC(O)=O)c3ncc(N(S(=O)(c2ccc(OC)cc2)=O)CC(F)(F)F)c4c3cccc4;COc1ccc(cc1)[S](=O)(=O)N(CC(O)=O)c2ncc(N(CC(F)(F)F)[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24;COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C27H24F3N3O8S2/c1-40-18-7-11-20(12-8-18)42(36,37)32(16-25(34)35)26-23-6-4-3-5-22(23)24(15-31-26)33(17-27(28,29)30)43(38,39)21-13-9-19(41-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,34,35)","","2019-09-24","2019-12-13","N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine","2019-12-18"],["94T","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate","C12 H20 N2 O12 P2","CCCO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;CCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O","InChI=1S/C12H20N2O12P2/c1-2-5-23-27(19,20)26-28(21,22)24-6-7-9(16)10(17)11(25-7)14-4-3-8(15)13-12(14)18/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,19,20)(H,21,22)(H,13,15,18)/t7-,9-,10-,11-/m1/s1","","2017-04-18","2024-09-27","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate","2018-05-16"],["Q5W","methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate","C17 H14 O2","COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C;CC(=Cc1ccc2cc(ccc2c1)C#C)C(=O)OC","InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9-","","2020-05-19","2024-09-27","methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate","2021-06-02"],["94U","N-[4-(diethylamino)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide","C16 H18 N4 O S","c2(C(Nc1ccc(N(CC)CC)cc1)=O)nc3c(c2)scn3;CCN(CC)c1ccc(NC(=O)c2[nH]c3ncsc3c2)cc1;CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3","InChI=1S/C16H18N4OS/c1-3-20(4-2)12-7-5-11(6-8-12)18-16(21)13-9-14-15(19-13)17-10-22-14/h5-10,19H,3-4H2,1-2H3,(H,18,21)","","2017-12-19","2018-10-19","N-[4-(diethylamino)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide","2018-10-24"],["Q5X","4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide","C25 H21 Cl F2 N2 O4","COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F;COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(cc3F)C4COC4","InChI=1S/C25H21ClF2N2O4/c1-33-23-5-3-2-4-15(23)11-29-24(31)18-9-17(19(26)10-20(18)27)25(32)30-22-7-6-14(8-21(22)28)16-12-34-13-16/h2-10,16H,11-13H2,1H3,(H,29,31)(H,30,32)","","2022-10-14","2024-09-27","4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide","2022-12-28"],["94V","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide","C10 H7 Br Cl N3 O3 S2","c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br;Clc1ccccc1[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl","InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide","2019-01-09"],["Q5Y","N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine","C26 H24 N2 O8 S2","O(C)c4ccc(S(=O)(=O)N(c1c3c(c(cc1)NS(=O)(=O)c2ccc(cc2)OC)cccc3)CC(O)=O)cc4;COc1ccc(cc1)[S](=O)(=O)Nc2ccc(N(CC(O)=O)[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24;COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C26H24N2O8S2/c1-35-18-7-11-20(12-8-18)37(31,32)27-24-15-16-25(23-6-4-3-5-22(23)24)28(17-26(29)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,27H,17H2,1-2H3,(H,29,30)","","2019-09-24","2019-12-13","N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine","2019-12-18"],["94W","6-methoxy-1,3-benzothiazol-2-amine","C8 H8 N2 O S","n1c2ccc(OC)cc2sc1N;COc1ccc2nc(N)sc2c1;COc1ccc2c(c1)sc(n2)N","InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)","","2014-06-12","2020-06-27","6-methoxy-1,3-benzothiazol-2-amine","2014-11-05"],["Q5Z","4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine","C26 H30 N2 O3","COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4;Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4","InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3","","2020-05-19","2020-05-22","4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine","2020-05-27"],["94X","(2Z,4S)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid","C12 H13 Br O3","Brc1ccc(cc1)CC(O)[C@H]=C(C(O)=O)C;CC(=C[CH](O)Cc1ccc(Br)cc1)C(O)=O;CC(=CC(Cc1ccc(cc1)Br)O)C(=O)O","InChI=1S/C12H13BrO3/c1-8(12(15)16)6-11(14)7-9-2-4-10(13)5-3-9/h2-6,11,14H,7H2,1H3,(H,15,16)/b8-6-/t11-/m1/s1","","2017-12-21","2018-05-25","(2Z,4S)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid","2018-05-30"],["Q60","N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea","C19 H22 N6 O","Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1;Cn1cc(CNC(=O)N(CCc2ccccc2)Cc3cccnc3)nn1;Cn1cc(nn1)CNC(=O)N(CCc2ccccc2)Cc3cccnc3","InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26)","","2023-08-18","2023-11-03","N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea","2023-11-08"],["94Y","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide","C10 H6 Br Cl2 N3 O3 S2","C(=O)(NS(c1cc(c(cc1)Cl)Cl)(=O)=O)Nc2sc(Br)cn2;Clc1ccc(cc1Cl)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl","InChI=1S/C10H6BrCl2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)5-1-2-6(12)7(13)3-5/h1-4H,(H2,14,15,16,17)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide","2019-01-09"],["94Z","3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide","C21 H23 F N4 O3","NC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(CC2)c3ccc(F)cc3)c1;c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N","InChI=1S/C21H23FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-7,14H,8-13H2,(H2,23,29)(H,24,27)","","2017-04-21","2017-05-19","3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide","2017-05-24"],["Q61","guanosine-5'-monophosphate-2',3'-vanadate","C10 H12 N5 O10 P V","C3(n2c1N=C(N)NC(c1nc2)=O)OC(C4C3O[V](=O)(O)O4)COP(=O)(O)O;O.NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[V](=O)O[CH]34;c1nc2c(n1C3C4C(C(O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N","InChI=1S/C10H12N5O8P.H2O.O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;;/h2-3,5-6,9H,1H2,(H2,19,20,21)(H3,11,13,14,18);1H2;;/q-2;;;+3/p-1/t3-,5-,6-,9-;;;/m1.../s1","","2019-09-24","2019-12-13","[5'-guanylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium","2019-12-18"],["Q62","~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide","C23 H25 N3 O7","Oc1cccc(C(=O)NCCCC[CH](NC(=O)c2cccc(O)c2O)C(=O)NCC#C)c1O;C#CCNC(=O)C(CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O","InChI=1S/C23H25N3O7/c1-2-12-24-23(33)16(26-22(32)15-8-6-11-18(28)20(15)30)9-3-4-13-25-21(31)14-7-5-10-17(27)19(14)29/h1,5-8,10-11,16,27-30H,3-4,9,12-13H2,(H,24,33)(H,25,31)(H,26,32)/t16-/m0/s1","","2020-05-19","2020-07-24","~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide","2020-07-29"],["950","2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE","C18 H19 F N4 O2","[O-]c3c(OCC(C)C)cccc3c2nc1cc(c(F)cc1n2)C(=[NH2+])N;CC(C)COc1cccc(c1[O-])c2[nH]c3cc(F)c(cc3n2)C(N)=[NH2+];CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F","InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)","CRA_10950","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate",""],["Q63","ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate","C9 H12 F N O4","Cc1cc(no1)C(O)C(F)C(=O)OCC;CCOC(=O)[CH](F)[CH](O)c1cc(C)on1;CCOC(=O)C(C(c1cc(on1)C)O)F","InChI=1S/C9H12FNO4/c1-3-14-9(13)7(10)8(12)6-4-5(2)15-11-6/h4,7-8,12H,3H2,1-2H3","","2022-06-01","2023-12-15","ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate","2023-12-20"],["951","2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid","C18 H13 Cl N2 O3","OC(=O)c1ccccc1NN=Cc2oc(cc2)c3ccccc3Cl;c1ccc(c(c1)c2ccc(o2)C=NNc3ccccc3C(=O)O)Cl","InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-11,21H,(H,22,23)/b20-11+","","2009-12-03","2011-06-04","2-[(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid",""],["Q64","(2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide","C17 H16 N2 O4 S","c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O;CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O;CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11-","","2019-09-24","2020-07-31","(2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide","2020-08-05"],["952","5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione","C23 H25 N3 O3","CC1=CN([CH]2CCCN(C2)Cc3cccc(Oc4ccccc4)c3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCCN(C2)Cc3cccc(c3)Oc4ccccc4","InChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-8-6-12-25(16-19)15-18-7-5-11-21(13-18)29-20-9-3-2-4-10-20/h2-5,7,9-11,13-14,19H,6,8,12,15-16H2,1H3,(H,24,27,28)/t19-/m0/s1","","2017-04-21","2018-03-16","5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione","2018-03-21"],["Q65","(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol","C26 H37 B F2 N5 O4","C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C;B1(n2c(cc(c2C(C3=C(CC(N31)C)C)CCCCc4cn(nn4)CC5C(C(C(C6C5O6)O)O)O)C)C)(F)F","InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1","","2020-05-20","2021-06-25","(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol","2021-06-30"],["953","5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide","C16 H11 Cl F3 N5 O","FC(F)(F)c3ccc(Cl)c(c2c(cc(c1nc(ncc1)N)n2)C(=O)N)c3;NC(=O)c1cc([nH]c1c2cc(ccc2Cl)C(F)(F)F)c3ccnc(N)n3;c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl","InChI=1S/C16H11ClF3N5O/c17-10-2-1-7(16(18,19)20)5-8(10)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25)","","2014-04-30","2014-07-18","5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide","2014-07-23"],["Q67","N~2~-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide","C21 H16 Cl2 N4 O2","O=C(Nc3cc1c(oc(n1)c2ccncc2)cc3)C(C)Nc4cccc(c4Cl)Cl;C[CH](Nc1cccc(Cl)c1Cl)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4;CC(C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl","InChI=1S/C21H16Cl2N4O2/c1-12(25-16-4-2-3-15(22)19(16)23)20(28)26-14-5-6-18-17(11-14)27-21(29-18)13-7-9-24-10-8-13/h2-12,25H,1H3,(H,26,28)/t12-/m0/s1","","2015-05-12","2015-06-12","N~2~-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide","2015-06-17"],["954","5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile","C18 H18 F N7 O S2","Fc1c(SC)nc(nc1C)N3CC2C(=O)N(C)C(=[N@H])NC2(C3)c4sc(cc4)C#N;CSc1nc(nc(C)c1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4sc(cc4)C#N;Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(s4)C#N)C)SC)F","InChI=1S/C18H18FN7OS2/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1","","2016-01-12","2016-03-11","5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile","2016-03-16"],["Q68","~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide","C18 H33 N5 O4","CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2;CCCCCCNC1CC(C(C(C1Cn2cc(nn2)CNC(=O)C)O)O)O","InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1","","2020-05-21","2024-09-27","~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide","2021-06-30"],["956","1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile","C20 H18 N4 O2 S","CN1C(=O)C(=C(N2CCN(CC2)C(=O)c3sccc3)c4ccccc14)C#N;CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4","InChI=1S/C20H18N4O2S/c1-22-16-6-3-2-5-14(16)18(15(13-21)19(22)25)23-8-10-24(11-9-23)20(26)17-7-4-12-27-17/h2-7,12H,8-11H2,1H3","","2010-01-06","2011-06-04","1-methyl-2-oxo-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile",""],["Q69","N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide","C10 H12 Cl N O2","Clc1cc(ccc1)C(NC(C)=O)CO;CC(=O)N[CH](CO)c1cccc(Cl)c1;CC(=O)NC(CO)c1cccc(c1)Cl","InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1","","2023-08-18","2024-09-27","N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide","2023-11-08"],["957","N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide","C24 H32 F2 N2 O2 S","Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC3(c2scc(c2)CC(C)(C)C)CC3;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)CNC2(CC2)c3scc(CC(C)(C)C)c3;CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CC2)c3cc(cs3)CC(C)(C)C)O","InChI=1S/C24H32F2N2O2S/c1-15(29)28-20(9-16-7-18(25)11-19(26)8-16)21(30)13-27-24(5-6-24)22-10-17(14-31-22)12-23(2,3)4/h7-8,10-11,14,20-21,27,30H,5-6,9,12-13H2,1-4H3,(H,28,29)/t20-,21+/m0/s1","","2010-07-16","2011-06-04","N-[(2S,3R)-1-(3,5-difluorophenyl)-4-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-3-hydroxybutan-2-yl]acetamide",""],["Q6A","(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide","C18 H18 N2 O5 S","c1cc(ccc1[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O)OC;COc1ccc(cc1)C=C(C(C)=O)C(=O)Nc2ccc(cc2)[S](N)(=O)=O;CC(=O)C(=Cc1ccc(cc1)OC)C(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11-","","2019-09-24","2020-07-31","(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide","2020-08-05"],["958","8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione","C19 H21 N7 O3","CN(C)c1nc2N(C)C(=O)N(C)C(=O)c2n1Cc3oc(nn3)c4cccc(C)c4;Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C","InChI=1S/C19H21N7O3/c1-11-7-6-8-12(9-11)16-22-21-13(29-16)10-26-14-15(20-18(26)23(2)3)24(4)19(28)25(5)17(14)27/h6-9H,10H2,1-5H3","TH5427","2017-04-21","2021-03-01","8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione","2018-01-31"],["Q6B","[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate","C44 H70 O9","C[CH](O)C[CH](O)[CH](C)C=C(C)C[CH](C)[CH]1CC=C(C)C[CH](C)[CH](CCCC(=O)O1)OC(=O)C=CC(C)=CC(C)=CC=CC(C)=C[CH](O)[CH](O)C[CH](C)O;CC1CC(=CCC(OC(=O)CCCC1OC(=O)C=CC(=CC(=CC=CC(=CC(C(CC(C)O)O)O)C)C)C)C(C)CC(=CC(C)C(CC(C)O)O)C)C","InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17-,32-23-/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1","","2020-05-22","2020-07-17","[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate","2020-07-22"],["959","benzyl (2-oxopropyl)carbamate","C11 H13 N O3","O=C(C)CNC(=O)OCc1ccccc1;CC(=O)CNC(=O)OCc1ccccc1;CC(=O)CNC(=O)OCc1ccccc1","InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)","","2008-05-19","2024-09-27","benzyl (2-oxopropyl)carbamate",""],["Q6C","ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate","C10 H11 Cl F N O3","Clc1ccnc(c1)C(O)C(F)C(=O)OCC;CCOC(=O)[CH](F)[CH](O)c1cc(Cl)ccn1;CCOC(=O)C(C(c1cc(ccn1)Cl)O)F","InChI=1S/C10H11ClFNO3/c1-2-16-10(15)8(12)9(14)7-5-6(11)3-4-13-7/h3-5,8-9,14H,2H2,1H3","","2022-06-01","2023-12-15","ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate","2023-12-20"],["95B","Azotochelin","C20 H22 N2 O8","OC(=O)[CH](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c2cccc(O)c2O;c1cc(c(c(c1)O)O)C(=O)NCCCCC(C(=O)O)NC(=O)c2cccc(c2O)O","InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1","","2017-04-21","2018-05-11","(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoic acid","2018-05-16"],["Q6D","(2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide","C15 H14 N2 O4 S2","c1csc(c1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O;CC(=O)C(=Cc1sccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O;CC(=O)C(=Cc1cccs1)C(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9-","","2019-09-24","2020-07-31","(2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide","2020-08-05"],["95C","4-nitro-2-[(phenylacetyl)amino]benzamide","C15 H13 N3 O4","c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O;NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O;c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]","InChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19)","","2017-12-21","2018-02-16","4-nitro-2-[(phenylacetyl)amino]benzamide","2018-02-21"],["Q6E","(1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide","C22 H28 Cl N5 O2","CC(=O)N[CH]1CCC[CH](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34;CC(=O)NC1CCCC(C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C","InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1","","2020-05-22","2020-12-18","(1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide","2020-12-23"],["95D","2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide","C15 H14 Br N5 O5 S2","c2c(c1cccc(OCC(N)=O)c1n2C)S(NC(=O)Nc3sc(Br)cn3)(=O)=O;Cn1cc(c2cccc(OCC(N)=O)c12)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3;Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C15H14BrN5O5S2/c1-21-6-10(8-3-2-4-9(13(8)21)26-7-12(17)22)28(24,25)20-14(23)19-15-18-5-11(16)27-15/h2-6H,7H2,1H3,(H2,17,22)(H2,18,19,20,23)","","2017-04-03","2019-01-11","2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide","2019-01-16"],["Q6F","N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide","C15 H14 Cl2 N2 O3 S","c1(ccc(cc1)NS(C)(=O)=O)C(NCc2c(cc(cc2)Cl)Cl)=O;C[S](=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl;CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl","InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)","","2017-04-26","2017-07-07","N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide","2017-07-12"],["95E","Ethambutol","C10 H24 N2 O2","CC[CH](CO)NCCN[CH](CC)CO;CCC(CO)NCCNC(CC)CO","InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1","","2017-04-21","2018-05-25","(2~{S})-2-[2-[[(2~{S})-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol","2018-05-30"],["Q6G","Selpercatinib","C29 H31 N7 O3","CC(COc2cn1ncc(C#N)c1c(c2)c3cnc(cc3)N4CC5CC(C4)N5Cc6ccc(nc6)OC)(C)O;COc1ccc(CN2[CH]3C[CH]2CN(C3)c4ccc(cn4)c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn1;CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4CC5CC(C4)N5Cc6ccc(nc6)OC)O","InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3/t22-,23+","6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile","2019-09-24","2021-03-13","6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile","2020-11-11"],["95F","5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine","C11 H18 N4 O","c2(nc(N1CCOCC1)c(c(n2)C)CC)N;CCc1c(C)nc(N)nc1N2CCOCC2;CCc1c(nc(nc1N2CCOCC2)N)C","InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14)","","2017-12-22","2020-10-23","5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine","2020-10-28"],["Q6H","5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide","C18 H17 F N2 O3 Se","Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3;c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3","InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22)","","2020-05-22","2024-09-27","5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide","2020-09-16"],["95G","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide","C14 H10 Br Cl2 N5 O4 S2","c2(Oc1c(c(Cl)nn1C)Cl)ccc(cc2)S(NC(=O)Nc3sc(cn3)Br)(=O)=O;Cn1nc(Cl)c(Cl)c1Oc2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3;Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C14H10BrCl2N5O4S2/c1-22-12(10(16)11(17)20-22)26-7-2-4-8(5-3-7)28(24,25)21-13(23)19-14-18-6-9(15)27-14/h2-6H,1H3,(H2,18,19,21,23)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide","2019-01-09"],["Q6I","(3-bromophenyl)[(2Z)-2-(phenylimino)-1,3-thiazepan-3-yl]methanone","C18 H17 Br N2 O S","O=C(N1CCCCSC1=N/c1ccccc1)c1cccc(Br)c1;Brc1cccc(c1)C(=O)N2CCCCSC2=Nc3ccccc3;c1ccc(cc1)N=C2N(CCCCS2)C(=O)c3cccc(c3)Br","InChI=1S/C18H17BrN2OS/c19-15-8-6-7-14(13-15)17(22)21-11-4-5-12-23-18(21)20-16-9-2-1-3-10-16/h1-3,6-10,13H,4-5,11-12H2/b20-18-","","2023-05-08","2023-06-09","(3-bromophenyl)[(2Z)-2-(phenylimino)-1,3-thiazepan-3-yl]methanone","2023-06-14"],["95H","~{N}-[(1~{R},2~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy\nl]-4-nitro-benzamide","C16 H22 N2 O8 S","CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](NC(=O)c2ccc(cc2)[N+]([O-])=O)[CH](C)O;CC(C(C1C(C(C(C(O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O","InChI=1S/C16H22N2O8S/c1-7(19)10(14-12(21)11(20)13(22)16(26-14)27-2)17-15(23)8-3-5-9(6-4-8)18(24)25/h3-7,10-14,16,19-22H,1-2H3,(H,17,23)/t7-,10-,11+,12-,13-,14-,16-/m1/s1","RB02","2017-04-23","2020-06-17","~{N}-[(1~{R},2~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propyl]-4-nitro-benzamide","2017-08-09"],["Q6J","5alpha-dihydronandrolone","C18 H28 O2","C2(=O)CC1CCC3C(C1CC2)CCC4(C3CCC4O)C;C[C]12CC[CH]3[CH]4CCC(=O)C[CH]4CC[CH]3[CH]1CC[CH]2O;CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4","InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1","(5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one","2019-09-25","2021-03-13","(5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one","2020-05-20"],["95I","N-(benzylcarbamothioyl)-L-histidine","C14 H16 N4 O2 S","O=C(O)C(NC(=S)NCc1ccccc1)Cc1c[NH]cn1;OC(=O)[CH](Cc1c[nH]cn1)NC(=S)NCc2ccccc2;c1ccc(cc1)CNC(=S)NC(Cc2c[nH]cn2)C(=O)O","InChI=1S/C14H16N4O2S/c19-13(20)12(6-11-8-15-9-17-11)18-14(21)16-7-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H,15,17)(H,19,20)(H2,16,18,21)/t12-/m0/s1","","2021-10-04","2021-11-26","N-(benzylcarbamothioyl)-L-histidine","2021-12-01"],["Q6K","~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide","C28 H35 N7 O2","CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C;CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C","InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32)","","2020-05-25","2024-09-27","~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide","2020-11-11"],["95J","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide","C11 H7 Br N4 O4 S3","C(=O)(Nc1ncc(Br)s1)NS(c3ccc(c2ccon2)s3)(=O)=O;Brc1sc(NC(=O)N[S](=O)(=O)c2sc(cc2)c3ccon3)nc1;c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C11H7BrN4O4S3/c12-8-5-13-11(22-8)14-10(17)16-23(18,19)9-2-1-7(21-9)6-3-4-20-15-6/h1-5H,(H2,13,14,16,17)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide","2019-01-09"],["Q6L","(1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol","C40 H58 O2","CC(CCC1=C(C)C[CH](O)CC1(C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C;CC1=C(C(CC(C1)O)(C)C)CCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C","InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,25,35-37,41-42H,22,24,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1","","2023-03-24","2023-04-21","(1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol","2023-04-26"],["95K","1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine","C19 H29 Br N6","CC(C)CN(CCc1ccc(Br)cc1)C2CCN(CC2)c3[nH]c(N)nn3;CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N","InChI=1S/C19H29BrN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)","","2017-04-24","2018-03-23","1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine","2018-03-28"],["Q6M","7-[(3-aminopropyl)amino]heptane-2,2-diol","C10 H24 N2 O2","C(NCCCCCC(C)(O)O)CCN;CC(O)(O)CCCCCNCCCN;CC(CCCCCNCCCN)(O)O","InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3","","2019-09-25","2019-11-29","7-[(3-aminopropyl)amino]heptane-2,2-diol","2019-12-04"],["95L","4-amino-6-fluoroquinoline-3-carbohydrazide","C10 H9 F N4 O","NNC(=O)c2cnc1ccc(cc1c2N)F;NNC(=O)c1cnc2ccc(F)cc2c1N;c1cc2c(cc1F)c(c(cn2)C(=O)NN)N","InChI=1S/C10H9FN4O/c11-5-1-2-8-6(3-5)9(12)7(4-14-8)10(16)15-13/h1-4H,13H2,(H2,12,14)(H,15,16)","","2017-12-22","2020-10-23","4-amino-6-fluoroquinoline-3-carbohydrazide","2020-10-28"],["Q6N","2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid","C39 H51 N5 O6","COc1cccc(OC)c1c2cc(nn2c3ccc(cc3C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC4(C5CC6CC(C5)CC4C6)C(O)=O;CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C","InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)/t24-,25+,27-,28+,39-","","2020-05-26","2021-02-05","2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid","2021-02-10"],["95M","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide","C12 H14 Br N3 O3 S3","C(=O)(NS(c1sc(CC(C)C)cc1)(=O)=O)Nc2sc(Br)cn2;CC(C)Cc1sc(cc1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br","InChI=1S/C12H14BrN3O3S3/c1-7(2)5-8-3-4-10(20-8)22(18,19)16-11(17)15-12-14-6-9(13)21-12/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide","2019-01-09"],["Q6O","N-(4-chloro-2,5-dimethoxyphenyl)acetamide","C10 H12 Cl N O3","COc1cc(NC(C)=O)c(cc1Cl)OC;COc1cc(NC(C)=O)c(OC)cc1Cl;CC(=O)Nc1cc(c(cc1OC)Cl)OC","InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)","","2022-06-01","2023-02-10","N-(4-chloro-2,5-dimethoxyphenyl)acetamide","2023-02-15"],["95N","1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine","C16 H23 Br N6","CN(CCc1ccc(Br)cc1)C2CCN(CC2)c3[nH]nc(N)n3;CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N","InChI=1S/C16H23BrN6/c1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16/h2-5,14H,6-11H2,1H3,(H3,18,19,20,21)","","2017-04-24","2018-02-16","1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine","2018-02-21"],["95O","(1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","C19 H18 N6 O2","Cc1nnc2n1cc(cc2N)C(=O)N3[CH]4CNC(=O)[CH]3Cc5ccccc45;Cc1nnc2n1cc(cc2N)C(=O)N3C4Cc5ccccc5C3CNC4=O","InChI=1S/C19H18N6O2/c1-10-22-23-17-14(20)6-12(9-24(10)17)19(27)25-15-7-11-4-2-3-5-13(11)16(25)8-21-18(15)26/h2-6,9,15-16H,7-8,20H2,1H3,(H,21,26)/t15-,16-/m0/s1","","2021-11-10","2022-08-22","(1~{R},9~{S})-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","2022-01-19"],["Q6P","7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol","C11 H26 N2 O3","C(CNCCCN)CCCC(COC)(O)O;COCC(O)(O)CCCCCNCCCN;COCC(CCCCCNCCCN)(O)O","InChI=1S/C11H26N2O3/c1-16-10-11(14,15)6-3-2-4-8-13-9-5-7-12/h13-15H,2-10,12H2,1H3","","2019-09-25","2019-11-29","7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol","2019-12-04"],["Q6Q","2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid","C32 H31 Cl N4 O5","COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)NC5(C6CC7CC(C6)CC5C7)C(O)=O;COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC","InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/t17-,18+,19-,20+,32-","","2020-05-26","2021-02-05","2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid","2021-02-10"],["95P","4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide","C8 H4 Br2 Cl N3 O3 S3","c1(sc(cn1)Br)NC(=O)NS(c2cc(c(Cl)s2)Br)(=O)=O;Clc1sc(cc1Br)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br","InChI=1S/C8H4Br2ClN3O3S3/c9-3-1-5(19-6(3)11)20(16,17)14-7(15)13-8-12-2-4(10)18-8/h1-2H,(H2,12,13,14,15)","","2017-04-03","2019-01-04","4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide","2019-01-09"],["Q6R","(R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C15 H16 Cl N3 O5 S","N[CH](C(=O)N[CH]([CH]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2;c1ccc(cc1)C(C(=O)NC(C2NC(=C(CS2)Cl)C(=O)O)C(=O)O)N","InChI=1S/C15H16ClN3O5S/c16-8-6-25-13(19-10(8)14(21)22)11(15(23)24)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9,11,13,19H,6,17H2,(H,18,20)(H,21,22)(H,23,24)/t9-,11+,13-/m1/s1","cefaclor","2023-03-24","2024-09-27","(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-chloranyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2024-05-15"],["95Q","1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine","C22 H27 Cl N6","Nc1n[nH]c(n1)N2CCC(CC2)N(CCc3ccc(Cl)cc3)Cc4ccccc4;c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N","InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27)","","2017-04-24","2018-03-23","1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine","2018-03-28"],["Q6S","N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide","C28 H29 F N4 O3","N(Cc1cc(cc(c1)OC)OC)C(=O)c3cc(CN2C(/N(C)C=C2)=N)cc(c3)c4ccc(cc4C)F;COc1cc(CNC(=O)c2cc(CN3C=CN(C)C3=N)cc(c2)c4ccc(F)cc4C)cc(OC)c1;Cc1cc(ccc1c2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)CN4C=CN(C4=N)C)F","InChI=1S/C28H29FN4O3/c1-18-9-23(29)5-6-26(18)21-10-20(17-33-8-7-32(2)28(33)30)11-22(14-21)27(34)31-16-19-12-24(35-3)15-25(13-19)36-4/h5-15,30H,16-17H2,1-4H3,(H,31,34)/b30-28+","","2019-09-26","2019-12-27","N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide","2020-01-01"],["95R","(4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione","C16 H17 N O3","N3C1=C(C(CCC1)=O)C(c2ccccc2OC)CC3=O;COc1ccccc1[CH]2CC(=O)NC3=C2C(=O)CCC3;COc1ccccc1C2CC(=O)NC3=C2C(=O)CCC3","InChI=1S/C16H17NO3/c1-20-14-8-3-2-5-10(14)11-9-15(19)17-12-6-4-7-13(18)16(11)12/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,19)/t11-/m1/s1","","2017-12-22","2020-10-23","(4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione","2020-10-28"],["Q6T","1,3-benzodioxole-4-carboxylic acid","C8 H6 O4","O=C(O)c1cccc2OCOc12;OC(=O)c1cccc2OCOc12;c1cc(c2c(c1)OCO2)C(=O)O","InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10)","","2012-02-07","2014-09-05","1,3-benzodioxole-4-carboxylic acid","2012-12-14"],["95S","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","C12 H14 Br N3 O4 S3","C(=O)(NS(c1cc(c(CCOC)s1)C)(=O)=O)Nc2sc(cn2)Br;COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2;Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br","InChI=1S/C12H14BrN3O4S3/c1-7-5-10(21-8(7)3-4-20-2)23(18,19)16-11(17)15-12-14-6-9(13)22-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","2019-01-09"],["Q6U","1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one","C9 H14 N2 O","C#CCN1CCN(CC1)C(C)=O;CC(=O)N1CCN(CC1)CC#C;CC(=O)N1CCN(CC1)CC#C","InChI=1S/C9H14N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h1H,4-8H2,2H3","","2023-08-18","2024-09-27","1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one","2023-11-08"],["95T","5-(4-chlorophenyl)-~{N}-(3,5-dimethoxyphenyl)furan-2-carboxamide","C19 H16 Cl N O4","COc1cc(NC(=O)c2oc(cc2)c3ccc(Cl)cc3)cc(OC)c1;COc1cc(cc(c1)OC)NC(=O)c2ccc(o2)c3ccc(cc3)Cl","InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)","","2022-01-04","2022-07-29","5-(4-chlorophenyl)-~{N}-(3,5-dimethoxyphenyl)furan-2-carboxamide","2022-08-03"],["Q6W","3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide","C31 H30 N6 O2","O=C(NCc1ncccc1)CCc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5;O=C(CCc1ccc2C=Cc3ncc(cc3C(=O)c2c1)c4cnn(c4)C5CCNCC5)NCc6ccccn6;c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6","InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38)","","2011-01-04","2011-06-04","3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide",""],["95U","N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide","C17 H15 N3 O","O=C(C=C)Nc3cc(c1c2c(nn1)cc(cc2)C)ccc3;Cc1ccc2c([nH]nc2c3cccc(NC(=O)C=C)c3)c1;Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C","InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)","","2017-12-28","2018-12-28","N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide","2019-01-02"],["Q6X","N-(4-fluorobenzoyl)-N-methylglycine","C10 H10 F N O3","O=C(c1ccc(F)cc1)N(C)CC(=O)O;CN(CC(O)=O)C(=O)c1ccc(F)cc1;CN(CC(=O)O)C(=O)c1ccc(cc1)F","InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)","","2022-06-01","2023-12-15","N-(4-fluorobenzoyl)-N-methylglycine","2023-12-20"],["95V","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide","C14 H11 Br N4 O3 S3","c1(ncc(Br)s1)NC(=O)NS(c3ccc(c2nc(C)sc2)cc3)(=O)=O;Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3;Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C14H11BrN4O3S3/c1-8-17-11(7-23-8)9-2-4-10(5-3-9)25(21,22)19-13(20)18-14-16-6-12(15)24-14/h2-7H,1H3,(H2,16,18,19,20)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide","2019-01-09"],["Q6Y","~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide","C26 H33 N7 O2","C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3c(C)c(NC(=O)c4cnc(C)nc4)cn5ccnc35;Cc1c(cn2ccnc2c1CN3CCN(C(C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C","InChI=1S/C26H33N7O2/c1-17-14-31(10-11-33(17)26(35)20-6-4-5-7-20)15-22-18(2)23(16-32-9-8-27-24(22)32)30-25(34)21-12-28-19(3)29-13-21/h8-9,12-13,16-17,20H,4-7,10-11,14-15H2,1-3H3,(H,30,34)/t17-/m0/s1","","2016-10-31","2016-12-09","~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide","2016-12-14"],["95W","5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione","C22 H24 N4 O3","CC1=CN(C2CCN(CC2)Cc3cccc(Oc4ccccc4)n3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4","InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-10-12-25(13-11-18)15-17-6-5-9-20(23-17)29-19-7-3-2-4-8-19/h2-9,14,18H,10-13,15H2,1H3,(H,24,27,28)","","2017-04-25","2018-08-03","5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione","2018-08-08"],["95X","(2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid","C22 H17 Cl2 F O3","Clc1ccc(F)c(Cl)c1C(C)Oc1cc2c(C)c(/C=C/C(=O)O)ccc2cc1;C[CH](Oc1ccc2ccc(C=CC(O)=O)c(C)c2c1)c3c(Cl)ccc(F)c3Cl;Cc1c(ccc2c1cc(cc2)OC(C)c3c(ccc(c3Cl)F)Cl)C=CC(=O)O","InChI=1S/C22H17Cl2FO3/c1-12-14(6-10-20(26)27)3-4-15-5-7-16(11-17(12)15)28-13(2)21-18(23)8-9-19(25)22(21)24/h3-11,13H,1-2H3,(H,26,27)/b10-6+/t13-/m0/s1","","2021-10-04","2022-03-04","(2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid","2022-03-09"],["Q6Z","(1R,2R,3S)-3-methylcyclohexane-1,2-diol","C7 H14 O2","OC1C(C)CCCC1O;C[CH]1CCC[CH](O)[CH]1O;CC1CCCC(C1O)O","InChI=1S/C7H14O2/c1-5-3-2-4-6(8)7(5)9/h5-9H,2-4H2,1H3/t5-,6+,7+/m0/s1","","2013-08-09","2014-09-05","(1R,2R,3S)-3-methylcyclohexane-1,2-diol","2014-08-20"],["Q70","Osugacestat","C26 H26 F6 N4 O3","CN1C(=O)[CH](NC(=O)[CH](CCC(F)(F)F)[CH](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c3ccccc13;CN1c2ccccc2C(=NC(C1=O)NC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)N)c3ccccc3","InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1","","2023-08-28","2024-11-11","(2~{S},3~{R})-~{N}'-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide","2024-08-14"],["95Y","N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","C18 H23 Br N4 O5 S2","c2(nc(NC(=O)NS(c1cc(c(CCOC)s1)C)(=O)=O)cc(c2)Br)N3CCOCC3;COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(n2)N3CCOCC3;Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br","InChI=1S/C18H23BrN4O5S2/c1-12-9-17(29-14(12)3-6-27-2)30(25,26)22-18(24)21-15-10-13(19)11-16(20-15)23-4-7-28-8-5-23/h9-11H,3-8H2,1-2H3,(H2,20,21,22,24)","","2017-04-03","2019-01-04","N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","2019-01-09"],["Q71","7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","C7 H5 F N2 O3 S","c1(F)cc2c(cc1)NC(NS2(=O)=O)=O;Fc1ccc2NC(=O)N[S](=O)(=O)c2c1;c1cc2c(cc1F)S(=O)(=O)NC(=O)N2","InChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)","","2019-09-27","2019-12-13","7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","2019-12-18"],["95Z","2-amino-2-deoxy-alpha-D-mannopyranose","C6 H13 N O5","N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)O","InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6+/m1/s1","alpha-D-mannosamine; 2-amino-2-deoxy-alpha-D-mannose; 2-amino-2-deoxy-D-mannose; 2-amino-2-deoxy-mannose","2017-04-25","2020-07-17","(2~{S},3~{S},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol","2017-12-27"],["Q72","(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE","C36 H54 N8 O4 S","O=C(N2CCN(C(=O)C1CCN(C(=[N@H])N)CC1)CC2)C(NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)Cc4cc(C(=[N@H])N)ccc4;CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3)C(=O)C4CCN(CC4)C(N)=N;[H]N=C(c1cccc(c1)CC(C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=N[H])N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)N","InChI=1/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1/f/h37,39H,38,40H2/b37-33+,39-36-","","2006-05-04","2008-10-14","4-({4-[(2S)-3-(3-carbamimidoylphenyl)-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propanoyl]piperazin-1-yl}carbonyl)piperidine-1-carboximidamide",""],["960","1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine","C16 H11 Cl N8 O2 S","c1(cnn(c1)C)c2cnc3c(c2)n(nc3)S(c5n4nc(Cl)ccc4nc5)(=O)=O;Cn1cc(cn1)c2cnc3cnn(c3c2)[S](=O)(=O)c4cnc5ccc(Cl)nn45;Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2","InChI=1S/C16H11ClN8O2S/c1-23-9-11(6-20-23)10-4-13-12(18-5-10)7-21-25(13)28(26,27)16-8-19-15-3-2-14(17)22-24(15)16/h2-9H,1H3","","2018-01-04","2018-12-21","1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine","2018-12-26"],["Q73","(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid","C28 H46 N2 O5","CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](N)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)C[CH](N)CC(O)=O;CC=CC1C(C(CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CC(CC(=O)O)N)O)N)O)C","InChI=1S/C28H46N2O5/c1-6-8-26-21(5)25(32)17-27(35-26)24(30)10-7-9-18(2)13-20(4)14-19(3)11-12-23(31)15-22(29)16-28(33)34/h6-12,14,20-27,31-32H,13,15-17,29-30H2,1-5H3,(H,33,34)/b8-6+,10-7+,12-11+,18-9+,19-14-/t20-,21+,22+,23+,24+,25-,26+,27+/m1/s1","","2023-03-24","2024-03-22","(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid","2024-03-27"],["961","3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID","C23 H26 F N O4","O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)[CH](O)C(=O)Nc3ccc(cc3F)C(O)=O;CC1(CCC(c2c1ccc(c2)C(C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C","InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1","BMS961","1999-07-08","2020-06-17","3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid",""],["Q74","2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid","C17 H10 F3 N3 O2 S","O=C(O)Cn2c1ncccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3;OC(=O)Cn1cc(Cc2sc3c(F)cc(F)c(F)c3n2)c4cccnc14;c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F","InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)","","2009-02-10","2011-06-04","{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}acetic acid",""],["962","(2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol","C8 H19 N O3","C[CH](O)CN(CCO)C[CH](C)O;CC(CN(CCO)CC(C)O)O","InChI=1S/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3/t7-,8-/m0/s1","","2017-04-25","2018-05-25","(2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol","2018-05-30"],["Q75","Thiazole-histidine","C6 H8 N2 O2 S","N[CH](Cc1scnc1)C(O)=O;c1c(scn1)CC(C(=O)O)N","InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1","(2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid; (S)-2-Amino-3-(thiazol-5-yl)propanoic acid; (2S)-2-amino-3-(1,3-thiazol-5-yl)propanoic acid; 3-(1,3-Thiazol-5-yl)-L-alanine","2020-05-26","2025-07-23","(2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid","2021-04-28"],["963","(1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","C20 H20 N2 O5","COc1cc(cc(OC)c1O)C(=O)N2[CH]3Cc4ccccc4[CH]2CNC3=O;COc1cc(cc(c1O)OC)C(=O)N2C3Cc4ccccc4C2CNC3=O","InChI=1S/C20H20N2O5/c1-26-16-8-12(9-17(27-2)18(16)23)20(25)22-14-7-11-5-3-4-6-13(11)15(22)10-21-19(14)24/h3-6,8-9,14-15,23H,7,10H2,1-2H3,(H,21,24)/t14-,15-/m0/s1","","2021-11-10","2022-08-22","(1~{R},9~{S})-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","2022-01-19"],["Q76","N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide","C7 H9 F3 N4 O","FC(F)(F)c1cc(NC(=O)C(C)N)[NH]n1;C[CH](N)C(=O)Nc1[nH]nc(c1)C(F)(F)F;CC(C(=O)Nc1cc(n[nH]1)C(F)(F)F)N","InChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15)","","2022-06-01","2023-12-15","N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide","2023-12-20"],["964","3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID","C19 H27 N5 O5 S2","O=C(c1nccnc1C(=O)O)NC2CCC(C(=O)NCCSSCCNC(=O)C)CC2;CC(=O)NCCSSCCNC(=O)[CH]1CC[CH](CC1)NC(=O)c2nccnc2C(O)=O;CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O","InChI=1S/C19H27N5O5S2/c1-12(25)20-8-10-30-31-11-9-23-17(26)13-2-4-14(5-3-13)24-18(27)15-16(19(28)29)22-7-6-21-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14+","SP7343-SP7964","2003-02-21","2020-06-17","3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid",""],["Q77","5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","C9 H10 N2 O3 S","Cc1cc2c(c(C)c1)NC(NS2(=O)=O)=O;Cc1cc(C)c2NC(=O)N[S](=O)(=O)c2c1;Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C","InChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)15(13,14)11-9(12)10-8/h3-4H,1-2H3,(H2,10,11,12)","","2019-09-27","2019-12-13","5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","2019-12-18"],["965","[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid","C33 H31 Cl F3 N O3","Clc1c(cccc1CN(CCCOc2cc(ccc2)CC(=O)O)CC(c3ccccc3)c4ccccc4)C(F)(F)F;OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c3ccccc3)Cc4cccc(c4Cl)C(F)(F)F)c1;c1ccc(cc1)C(CN(CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4","InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)","","2003-06-19","2011-06-04","[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid",""],["Q78","L-3-Thienylalanine","C7 H9 N O2 S","N[CH](Cc1cscc1)C(O)=O;c1cscc1CC(C(=O)O)N","InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1","(2S)-2-azanyl-3-thiophen-3-yl-propanoic acid; 3-(3-Thienyl)-l-alanine","2020-05-26","2024-09-27","(2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid","2021-04-28"],["966","[(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate","C35 H49 N O9","CCN1C[C]2(CC[CH](OC)[C]34[CH]5C[C]6(O)[CH](C[C](OC(C)=O)([CH]([CH](OC)[CH]23)[CH]14)[CH]5[CH]6C(=O)c7ccc(OC)cc7)OC)COC;CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC","InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27+,29-,30-,31-,32+,33+,34-,35+/m1/s1","Bulleyaconitine A","2022-01-06","2022-04-01","","2022-04-06"],["Q7A","5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","C7 H5 Cl N2 O3 S","O=C2NS(=O)(=O)c1c(c(ccc1)Cl)N2;Clc1cccc2c1NC(=O)N[S]2(=O)=O;c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O","InChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)","","2019-09-27","2019-12-13","5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione","2019-12-18"],["967","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide","C12 H8 Br N3 O3 S3","N(C(=O)Nc1sc(cn1)Br)S(c2csc3c2cccc3)(=O)=O;Brc1sc(NC(=O)N[S](=O)(=O)c2csc3ccccc23)nc1;c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C12H8BrN3O3S3/c13-10-5-14-12(21-10)15-11(17)16-22(18,19)9-6-20-8-4-2-1-3-7(8)9/h1-6H,(H2,14,15,16,17)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide","2019-01-09"],["Q7B","(1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid","C18 H18 O2","Cc1ccc(C[C]2(C[CH]2c3ccccc3)C(O)=O)cc1;Cc1ccc(cc1)CC2(CC2c3ccccc3)C(=O)O","InChI=1S/C18H18O2/c1-13-7-9-14(10-8-13)11-18(17(19)20)12-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)/t16-,18+/m0/s1","","2020-05-26","2021-04-02","(1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid","2021-04-07"],["968","2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID","C19 H13 N O6","O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O;Oc1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1;c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O","InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)","COMPOUND 8B","2003-03-17","2021-03-01","2-[(carboxycarbonyl)(7-hydroxynaphthalen-1-yl)amino]benzoic acid",""],["Q7C","N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide","C9 H16 N2 O4 S","O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O;CC(=O)N(CCC(N)=O)[CH]1CC[S](=O)(=O)C1;CC(=O)N(CCC(=O)N)C1CCS(=O)(=O)C1","InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1","","2023-08-18","2024-09-27","N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide","2023-11-08"],["969","11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione","C22 H18 O6","CCC(C1=CC(c4c(O1)c3C(=O)c2c(O)cccc2C(c3cc4C)=O)=O)(O)C;CC[C](C)(O)C1=CC(=O)c2c(C)cc3C(=O)c4cccc(O)c4C(=O)c3c2O1;CCC(C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O","InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1","","2018-01-16","2018-12-07","11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione","2018-12-12"],["Q7E","(2R)-4-(1H-pyrazol-1-yl)butan-2-ol","C7 H12 N2 O","OC(C)CCn1cccn1;C[CH](O)CCn1cccn1;CC(CCn1cccn1)O","InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3","","2022-06-01","2023-12-15","(2R)-4-(1H-pyrazol-1-yl)butan-2-ol","2023-12-20"],["96A","N-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","C15 H18 Br N5 O5 S2","N(C(=O)Nc1cc(cc(n1)NC(N)=O)Br)S(c2cc(c(CCOC)s2)C)(=O)=O;COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(NC(N)=O)n2;Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br","InChI=1S/C15H18BrN5O5S2/c1-8-5-13(27-10(8)3-4-26-2)28(24,25)21-15(23)20-12-7-9(16)6-11(18-12)19-14(17)22/h5-7H,3-4H2,1-2H3,(H5,17,18,19,20,21,22,23)","","2017-04-03","2019-01-04","N-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","2019-01-09"],["96B","(2R)-2-phenylpyrrolidine","C10 H13 N","N1C(CCC1)c2ccccc2;C1CN[CH](C1)c2ccccc2;c1ccc(cc1)C2CCCN2","InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m1/s1","","2015-03-04","2016-04-01","(2R)-2-phenylpyrrolidine","2016-04-06"],["Q7F","6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine","C17 H20 N6 S","CN(Cc1sccc1C)Cc2nc(N)nc(Nc3ccccc3)n2;Cc1ccsc1CN(C)Cc2nc(nc(n2)Nc3ccccc3)N","InChI=1S/C17H20N6S/c1-12-8-9-24-14(12)10-23(2)11-15-20-16(18)22-17(21-15)19-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H3,18,19,20,21,22)","","2022-10-14","2023-01-27","6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine","2023-02-01"],["Q7G","2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside","C56 H92 O25","C6=1C(C5C(CC=1)C4CC3C(C(C2(CCC(CO2)C)O3)C)C4(C)CC5)(CCC(C6)OCCC(COC7C(O)C(O)C(C(O7)CO)OC8C(C(O)C(C(O8)CO)O)O)COC9OC(C(C(C9O)O)OC%10C(C(C(O)C(CO)O%10)O)O)CO)C;C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)CO[CH]9O[CH](CO)[CH](O[CH]%10O[CH](CO)[CH](O)[CH](O)[CH]%10O)[CH](O)[CH]9O;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)COC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1","InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56-/m1/s1","","2019-09-30","2021-03-12","2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside","2021-03-17"],["96C","4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole","C21 H24 N2 O4","CCOc1ccc(cc1)c2cn(C)nc2c3cc(c(c(c3)OC)OC)OC;CCOc1ccc(cc1)c2cn(C)nc2c3cc(OC)c(OC)c(OC)c3;CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C","InChI=1S/C21H24N2O4/c1-6-27-16-9-7-14(8-10-16)17-13-23(2)22-20(17)15-11-18(24-3)21(26-5)19(12-15)25-4/h7-13H,6H2,1-5H3","","2018-01-19","2019-01-18","4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole","2019-01-23"],["Q7H","11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one","C25 H30 N6 O4","CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5;CN1CCCN(C(=O)COc2cc(ccc2OC3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C","InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1","","2020-05-26","2020-05-29","","2020-06-03"],["96D","N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide","C13 H9 F2 N5 O4 S","N(C(Nc1cnc(C#N)cn1)=O)S(c2cc(ccc2)OC(F)F)(=O)=O;FC(F)Oc1cccc(c1)[S](=O)(=O)NC(=O)Nc2cnc(cn2)C#N;c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F","InChI=1S/C13H9F2N5O4S/c14-12(15)24-9-2-1-3-10(4-9)25(22,23)20-13(21)19-11-7-17-8(5-16)6-18-11/h1-4,6-7,12H,(H2,18,19,20,21)","","2017-04-03","2019-01-04","N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide","2019-01-09"],["Q7J","1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol","C12 H18 N4 O6","C=1(NC(=O)NC(C=1N=[C@H]C(C)=O)=O)NCC(O)C(CCO)O;CC(=O)C=NC1=C(NC[CH](O)[CH](O)CCO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCC(C(CCO)O)O","InChI=1S/C12H18N4O6/c1-6(18)4-13-9-10(15-12(22)16-11(9)21)14-5-8(20)7(19)2-3-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,14,15,16,21,22)/b13-4+/t7-,8+/m1/s1","","2019-10-01","2024-09-27","1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol","2020-02-19"],["96E","5-[2-hydroxyethyl(propyl)amino]pentan-1-ol","C10 H23 N O2","CCCN(CCO)CCCCCO;CCCN(CCCCCO)CCO","InChI=1S/C10H23NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h12-13H,2-10H2,1H3","","2017-04-25","2018-05-25","5-[2-hydroxyethyl(propyl)amino]pentan-1-ol","2018-05-30"],["Q7K","11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  ","C25 H32 N6 O4","CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OC5CCOCC5;CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C","InChI=1S/C25H32N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-5,12-13,16,19H,3,6-11,14-15H2,1-2H3,(H2,26,27,28,29)","","2020-05-26","2020-05-29","","2020-06-03"],["96F","1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione","C22 H20 O7","CCC(O)(C(CC(c3c(cc2C(=O)c1cccc(c1C(c2c3O)=O)O)C)=O)=O)C;CC[C](C)(O)C(=O)CC(=O)c1c(C)cc2C(=O)c3cccc(O)c3C(=O)c2c1O;CCC(C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O","InChI=1S/C22H20O7/c1-4-22(3,29)15(25)9-14(24)16-10(2)8-12-18(20(16)27)21(28)17-11(19(12)26)6-5-7-13(17)23/h5-8,23,27,29H,4,9H2,1-3H3/t22-/m1/s1","","2018-01-24","2019-01-25","1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione","2019-01-30"],["96G","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide","C15 H12 Br N3 O4 S3","C(Nc1ncc(s1)Br)(NS(c2ccc(s2)c3ccc(cc3)OC)(=O)=O)=O;COc1ccc(cc1)c2sc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3;COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br","InChI=1S/C15H12BrN3O4S3/c1-23-10-4-2-9(3-5-10)11-6-7-13(24-11)26(21,22)19-14(20)18-15-17-8-12(16)25-15/h2-8H,1H3,(H2,17,18,19,20)","","2017-04-03","2019-01-04","N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide","2019-01-09"],["Q7L","(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole","C10 H8 N2 O2","c1cc(cc2OCOc12)c1cc[NH]n1;C1Oc2ccc(cc2O1)c3cc[nH]n3;c1cc2c(cc1c3cc[nH]n3)OCO2","InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)","","2022-06-01","2023-02-10","(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole","2023-02-15"],["Q7M","2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","C25 H18 F3 N7 O2","FC(F)(F)c1cc(ccc1)NC(=O)Nc2ccc(cc2)n4c(c(c3nc5ccccc5nc34)C(=O)N)N;NC(=O)c1c(N)n(c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c4nc5ccccc5nc14;c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N","InChI=1S/C25H18F3N7O2/c26-25(27,28)13-4-3-5-15(12-13)32-24(37)31-14-8-10-16(11-9-14)35-21(29)19(22(30)36)20-23(35)34-18-7-2-1-6-17(18)33-20/h1-12H,29H2,(H2,30,36)(H2,31,32,37)","","2014-03-25","2014-09-05","2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","2014-08-13"],["96H","Triisopropanolamine","C9 H21 N O3","C[CH](O)CN(C[CH](C)O)C[CH](C)O;CC(CN(CC(C)O)CC(C)O)O","InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1","","2017-04-25","2020-04-03","(2~{S})-1-[bis[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol","2020-04-08"],["Q7N","~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide","C15 H15 N O2 Se","COc1cccc(CNC(=O)c2ccccc2[SeH])c1;COc1cccc(c1)CNC(=O)c2ccccc2[SeH]","InChI=1S/C15H15NO2Se/c1-18-12-6-4-5-11(9-12)10-16-15(17)13-7-2-3-8-14(13)19/h2-9,19H,10H2,1H3,(H,16,17)","","2020-05-26","2024-09-27","~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide","2020-09-16"],["96I","(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide","C22 H25 N7 O","NC(=O)C(Nc1nc(c(C#N)c(CC)c1C#N)N1CCC(N)CC1)c1ccccc1;CCc1c(C#N)c(N[CH](C(N)=O)c2ccccc2)nc(N3CCC(N)CC3)c1C#N;CCc1c(c(nc(c1C#N)N2CCC(CC2)N)NC(c3ccccc3)C(=O)N)C#N","InChI=1S/C22H25N7O/c1-2-16-17(12-23)21(27-19(20(26)30)14-6-4-3-5-7-14)28-22(18(16)13-24)29-10-8-15(25)9-11-29/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,30)(H,27,28)/t19-/m1/s1","","2021-10-04","2022-03-25","(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide","2022-03-30"],["Q7O","(2R,4R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C12 H19 N3 O5 S","C[CH](O)[CH]([CH]1C[CH](SCCNC=N)C(=N1)C(O)=O)C(O)=O;CC(C(C1CC(C(=N1)C(=O)O)SCCNC=N)C(=O)O)O","InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8-,9-/m1/s1","Hydrolyzed Imipenem","2022-10-14","2023-09-18","(2~{R},4~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2023-03-08"],["96J","N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide","C12 H12 Br N3 O3 S2","C(=O)(Nc1c(c(ns1)C)Br)NS(c2cc(C)ccc2)(=O)=O;Cc1cccc(c1)[S](=O)(=O)NC(=O)Nc2snc(C)c2Br;Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br","InChI=1S/C12H12BrN3O3S2/c1-7-4-3-5-9(6-7)21(18,19)16-12(17)14-11-10(13)8(2)15-20-11/h3-6H,1-2H3,(H2,14,16,17)","","2017-04-03","2019-01-04","N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide","2019-01-09"],["96K","6-dipropylamino-1-hexanol","C12 H27 N O","CCCN(CCC)CCCCCCO;CCCN(CCC)CCCCCCO","InChI=1S/C12H27NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h14H,3-12H2,1-2H3","","2017-04-25","2018-06-08","6-(dipropylamino)hexan-1-ol","2018-06-13"],["Q7P","6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione","C11 H16 N4 O4","C1(NC(=O)C(/N=C/C(C)=O)=C(NCCCCO)N1)=O;CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCCO","InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+","","2019-10-01","2024-09-27","6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione","2020-02-19"],["Q7Q","6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  ","C22 H28 N6 O4","COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34;CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC","InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)","","2020-05-26","2020-05-29","","2020-06-03"],["96L","(1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","C30 H39 F N8 O2","CC(C)[CH]1NC(=O)[CH]2Cc3ccccc3[CH]1N2C(=O)c4cc(NC5CCN(CC5)CC(C)(C)F)c6nnc(C)n6n4;Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4C5Cc6ccccc6C4C(NC5=O)C(C)C","InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1","","2021-11-10","2022-08-22","(1~{R},9~{S},12~{R})-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one","2022-01-19"],["Q7R","1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one","C19 H22 N2 O","CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1;CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3;CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3","InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3","","2023-08-18","2024-09-27","1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one","2023-11-08"],["96M","6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one","C26 H27 Cl2 N5 O2","CCN(CC)CCOc4ccc(Nc1ncc2c(n1)N(C(C(=C2)c3c(cccc3Cl)Cl)=O)C)cc4;CCN(CC)CCOc1ccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1;CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C","InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)","","2017-04-03","2017-08-18","6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one","2017-08-23"],["Q7S","6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione","C10 H14 N4 O4","C(=O)([C@H]=NC=1C(=O)NC(NC=1NCCCO)=O)C;CC(=O)C=NC1=C(NCCCO)NC(=O)NC1=O;CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCO","InChI=1S/C10H14N4O4/c1-6(16)5-12-7-8(11-3-2-4-15)13-10(18)14-9(7)17/h5,15H,2-4H2,1H3,(H3,11,13,14,17,18)/b12-5+","","2019-10-01","2024-09-27","6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione","2020-02-19"],["96N","4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide","C21 H22 N2 O2","CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23;CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C","InChI=1S/C21H22N2O2/c1-4-17-19(14(3)24)13(2)23-20(17)21(25)22-12-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,23H,4,12H2,1-3H3,(H,22,25)","XDM4","2017-04-25","2020-06-17","4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide","2017-08-16"],["Q7T","~{N}-(phenylmethyl)-2-selanyl-benzamide","C14 H13 N O Se","[SeH]c1ccccc1C(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)c2ccccc2[SeH]","InChI=1S/C14H13NOSe/c16-14(12-8-4-5-9-13(12)17)15-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,15,16)","","2020-05-26","2024-09-27","~{N}-(phenylmethyl)-2-selanyl-benzamide","2020-09-16"],["96O","(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside","C10 H17 N3 O6","C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O;Cn1cc(CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)nn1;Cn1cc(nn1)COC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1","(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside; (1-methyl-1H-1,2,3-triazol-4-yl)methyl D-mannoside;\n(1-methyl-1H-1,2,3-triazol-4-yl)methyl mannoside","2018-01-25","2020-07-17","(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside","2019-04-10"],["Q7U","1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea","C15 H13 Cl N4 O","Clc1ccccc1NC(=O)Nc3nc2ccccc2n3C;Cn1c(NC(=O)Nc2ccccc2Cl)nc3ccccc13;Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl","InChI=1S/C15H13ClN4O/c1-20-13-9-5-4-8-12(13)17-14(20)19-15(21)18-11-7-3-2-6-10(11)16/h2-9H,1H3,(H2,17,18,19,21)","","2013-05-17","2014-09-05","1-(2-chlorophenyl)-3-(1-methyl-1H-benzimidazol-2-yl)urea","2013-09-18"],["96P","(2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)","C25 H20 F3 N O12","FC(F)(F)c3cc(OC(=O)NCC(OC(=O)c1cc(O)c(O)c(O)c1)COC(=O)c2cc(O)c(O)c(O)c2)ccc3;Oc1cc(cc(O)c1O)C(=O)OC[CH](CNC(=O)Oc2cccc(c2)C(F)(F)F)OC(=O)c3cc(O)c(O)c(O)c3;c1cc(cc(c1)OC(=O)NCC(COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F","InChI=1S/C25H20F3NO12/c26-25(27,28)13-2-1-3-14(8-13)41-24(38)29-9-15(40-23(37)12-6-18(32)21(35)19(33)7-12)10-39-22(36)11-4-16(30)20(34)17(31)5-11/h1-8,15,30-35H,9-10H2,(H,29,38)/t15-/m0/s1","","2012-08-02","2013-12-20","(2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)","2013-12-25"],["Q7V","5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron","C8 H22 B N2 O3","C([B+](O)(O)O)CCCCNCCCN;NCCCNCCCCC[B+](O)(O)O;[B+](CCCCCNCCCN)(O)(O)O","InChI=1S/C8H22BN2O3/c10-6-4-8-11-7-3-1-2-5-9(12,13)14/h11-14H,1-8,10H2/q+1","","2019-10-02","2019-11-29","{5-[(3-aminopropyl)amino]pentyl}(trihydroxy)boranium","2019-12-04"],["96Q","(~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide","C35 H29 F3 N4 O3","Nc1ccc(C=CC(=O)NCc2oc3c(c2)cc(cc3c4ccc(F)cc4)c5ccc(cc5)C(=O)N6CCC(F)(F)CC6)cn1;c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)C=Cc5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F","InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+","","2017-04-26","2018-02-09","(~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide","2018-02-14"],["NC8","(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium","C30 H34 Br N4 O3","Brc1ccc(cc1)C(=O)OCC4=CC[NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)cc3)C4;Nc1ccc(CN(C[CH]2C[NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C2)C(=O)Cc4ccc(N)cc4)cc1;c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N","InChI=1S/C30H33BrN4O3/c31-26-7-5-25(6-8-26)30(37)38-20-23-13-14-34-17-24(15-23)19-35(18-22-3-11-28(33)12-4-22)29(36)16-21-1-9-27(32)10-2-21/h1-13,24,34H,14-20,32-33H2/p+1/t24-/m1/s1","","2011-08-08","2012-07-27","(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium",""],["96R","2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol","C12 H10 N4 O","c1ccc(c3c1c(n2ccnc2)cc(n3)N)O;Nc1cc(n2ccnc2)c3cccc(O)c3n1;c1cc2c(cc(nc2c(c1)O)N)n3ccnc3","InChI=1S/C12H10N4O/c13-11-6-9(16-5-4-14-7-16)8-2-1-3-10(17)12(8)15-11/h1-7,17H,(H2,13,15)","","2018-01-25","2019-01-18","2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol","2019-01-23"],["NC9","(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium","C23 H31 N4 O2","O=C(N(CC1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(N)cc3;Nc1ccc(CN(C[CH]2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1;c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[NH2+]C3)CO)N","InChI=1S/C23H30N4O2/c24-21-5-1-17(2-6-21)12-23(29)27(14-18-3-7-22(25)8-4-18)15-20-11-19(16-28)9-10-26-13-20/h1-9,20,26,28H,10-16,24-25H2/p+1/t20-/m1/s1","","2011-08-08","2012-07-27","(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium",""],["96S","1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one","C20 H19 Cl2 N5 O2","Clc4c(CC=3N(C(=O)N(Cc2nc1c(nc(cc1)Cl)n2)C=3)CC)ccc(c4)OC;CCN1C(=O)N(Cc2[nH]c3ccc(Cl)nc3n2)C=C1Cc4ccc(OC)cc4Cl;CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC","InChI=1S/C20H19Cl2N5O2/c1-3-27-13(8-12-4-5-14(29-2)9-15(12)21)10-26(20(27)28)11-18-23-16-6-7-17(22)24-19(16)25-18/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,24,25)","","2017-04-04","2019-03-08","1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one","2019-03-13"],["96T","3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol","C29 H37 N2 O2","CC1(C)C(=CC=CC2=[N+](CCCO)c3ccccc3C2(C)C)N(CCCO)c4ccccc14;CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3CCCO)(C)C)CCCO)C","InChI=1S/C29H37N2O2/c1-28(2)22-12-5-7-14-24(22)30(18-10-20-32)26(28)16-9-17-27-29(3,4)23-13-6-8-15-25(23)31(27)19-11-21-33/h5-9,12-17,32-33H,10-11,18-21H2,1-4H3/q+1","","2017-04-26","2017-12-15","3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol","2017-12-20"],["NCA","NICOTINAMIDE","C6 H6 N2 O","O=C(N)c1cccnc1;NC(=O)c1cccnc1;c1cc(cnc1)C(=O)N","InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)","","1999-07-08","2011-06-04","pyridine-3-carboxamide",""],["NCB","N-CARBAMOYL-ALANINE","C4 H8 N2 O3","O=C(O)C(NC(=O)N)C;C[CH](NC(N)=O)C(O)=O;CC(C(=O)O)NC(=O)N","InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1","","1999-10-10","2024-09-27","N-carbamoyl-D-alanine",""],["96U","2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol","C12 H10 N4 O2","c1c(O)cc(c2c1c(cc(n2)N)n3cncc3)O;Nc1cc(n2ccnc2)c3cc(O)cc(O)c3n1;c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N","InChI=1S/C12H10N4O2/c13-11-5-9(16-2-1-14-6-16)8-3-7(17)4-10(18)12(8)15-11/h1-6,17-18H,(H2,13,15)","","2018-01-25","2019-01-18","2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol","2019-01-23"],["NCC","CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID","C20 H31 N4 O16 P","O=C(NC1C(O)CC(OC1C(O)C(O)CO)(OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C(=O)O)C;CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O","InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1","","2003-09-12","2011-06-04","(2R,4S,5R,6R)-5-(acetylamino)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["96V","N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-\ncarboxamide","C26 H32 N4 O2","c12C(=CN(C(c1nc(c2)C)=O)CC=C)C(=O)N(C)C3CCN(CC3)C(c4ccccc4)C;C[CH](N1CCC(CC1)N(C)C(=O)C2=CN(CC=C)C(=O)c3[nH]c(C)cc23)c4ccccc4;Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)C(C)c4ccccc4)CC=C","InChI=1S/C26H32N4O2/c1-5-13-30-17-23(22-16-18(2)27-24(22)26(30)32)25(31)28(4)21-11-14-29(15-12-21)19(3)20-9-7-6-8-10-20/h5-10,16-17,19,21,27H,1,11-15H2,2-4H3/t19-/m0/s1","6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide","2017-04-04","2020-06-17","N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide","2017-06-14"],["NCD","N-CARBAMOYL-L-ASPARTATE","C5 H8 N2 O5","O=C(O)C(NC(=O)N)CC(=O)O;NC(=O)N[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)NC(=O)N)C(=O)O","InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1","","2001-05-17","2011-06-04","N-carbamoyl-L-aspartic acid",""],["96X","N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide","C15 H14 N4 O2","c1ccc(c2c1c(cc(n2)NC(=O)C)Cn3cncc3)O;CC(=O)Nc1cc(Cn2ccnc2)c3cccc(O)c3n1;CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3","InChI=1S/C15H14N4O2/c1-10(20)17-14-7-11(8-19-6-5-16-9-19)12-3-2-4-13(21)15(12)18-14/h2-7,9,21H,8H2,1H3,(H,17,18,20)","","2018-01-25","2019-01-18","N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide","2019-01-23"],["96Y","1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine","C21 H19 F2 N7","c2c1n(ncc1cnc2c3nc(C)cnc3)c5cccc(C4C(CCNC4)(F)F)n5;Cc1cncc(n1)c2cc3n(ncc3cn2)c4cccc(n4)[CH]5CNCCC5(F)F;Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)C5CNCCC5(F)F","InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3/t15-/m1/s1","","2017-04-04","2017-05-05","1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine","2017-05-10"],["NCE","3,6-Bis[(3-morpholinopropionamido)] acridine","C27 H33 N5 O4","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCOCC4)CCN5CCOCC5;O=C(CCN1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5)cc4nc3c2;c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5","InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)","N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)","2008-09-26","2021-03-13","N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)",""],["NCF","(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID","C13 H14 N2 O5 S2","S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2cccs2;OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2SCCC(=N2)C(O)=O;c1cc(sc1)CC(=O)NC(C2N=C(CCS2)C(=O)O)C(=O)O","InChI=1S/C13H14N2O5S2/c16-9(6-7-2-1-4-21-7)15-10(13(19)20)11-14-8(12(17)18)3-5-22-11/h1-2,4,10-11H,3,5-6H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1","NITROCEFIN, open form without dinitrophenyl-ethenyl group; (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2004-10-01","2024-09-27","(2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["96Z","beta-(1-azulenyl)-L-alanine","C13 H13 N O2","N[CH](Cc1ccc2cccccc12)C(O)=O;c1ccc-2ccc(c2cc1)CC(C(=O)O)N","InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1","(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid","2017-04-26","2026-02-03","(2~{S})-2-azanyl-3-azulen-1-yl-propanoic acid","2019-01-16"],["NCG","[(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE","C45 H52 N4 O18 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)C;CN[CH]1[CH](O)[CH](O)[CH](C)O[CH]1O[CH]2[CH](OC(=O)c3c(O)ccc4c(C)cc(OC)cc34)[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)c5cc6c(C=C[C]6(O)[CH]7COC(=O)O7)cc25;Cc1cc(cc2c1ccc(c2C(=O)OC3C(c4cc5c(cc4C3SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(C=C5)(C6COC(=O)O6)O)OC7C(C(C(C(O7)C)O)O)NC)O)OC","InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1","NCSI-GLU; NEOCARZINOSTATIN-GLUTATHIONE CHROMOPHORE","2002-09-26","2020-05-27","D-gamma-glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-{[(2-hydroxy-7-methoxy-5-methylnaphthalen-1-yl)carbonyl]oxy}-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-tetrahydro-s-indacen-1-yl}-L-cysteinylglycine",""],["970","(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one","C23 H22 O6","c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(C)=C)Oc2c3;COc1cc2OC[CH]3Oc4c5C[CH](Oc5ccc4C(=O)[CH]3c2cc1OC)C(C)=C;CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1","InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1","","2018-01-26","2020-10-02","(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one","2020-10-07"],["NCH","P-NITROPHENYL-PHOSPHOCHOLINE","C11 H18 N2 O6 P","[O-][N+](=O)c1ccc(OP(=O)(OCC[N+](C)(C)C)O)cc1;C[N+](C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O;C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1","","1999-12-09","2011-06-04","2-{[(S)-hydroxy(4-nitrophenoxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium",""],["971","1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one","C20 H24 N8 O","C5(CN(c1ncc2c(c1)c(nn2)c3cccc(n3)N4CCNCC4)CCN5C)=O;CN1CCN(CC1=O)c2cc3c([nH]nc3c4cccc(n4)N5CCNCC5)cn2;CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5","InChI=1S/C20H24N8O/c1-26-9-10-28(13-19(26)29)18-11-14-16(12-22-18)24-25-20(14)15-3-2-4-17(23-15)27-7-5-21-6-8-27/h2-4,11-12,21H,5-10,13H2,1H3,(H,24,25)","Cpd1","2017-04-04","2020-06-17","1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one","2018-04-18"],["NCI","3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine","C33 H45 N5 O2","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(CC)CCCC5;CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2;CCC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCCCC5CC","InChI=1S/C33H45N5O2/c1-3-28-9-5-7-17-37(28)19-15-32(39)34-26-13-11-24-21-25-12-14-27(23-31(25)36-30(24)22-26)35-33(40)16-20-38-18-8-6-10-29(38)4-2/h11-14,21-23,28-29H,3-10,15-20H2,1-2H3,(H,34,39)(H,35,40)/t28-,29-/m1/s1","N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}","2008-10-02","2021-03-13","N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}",""],["972","2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE","C18 H19 Cl N4 O2","[O-]c3c(OCC(C)C)cccc3c2nc1cc(c(Cl)cc1n2)C(=[NH2+])N;CC(C)COc1cccc(c1[O-])c2[nH]c3cc(Cl)c(cc3n2)C(N)=[NH2+];CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl","InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)","CRA_10972","2003-03-14","2020-06-17","2-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate",""],["NCJ","3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine","C31 H41 N5 O2","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)C)CCN5C(C)CCCC5;C[CH]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5C)cc4nc3c2;CC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCCCC5C","InChI=1S/C31H41N5O2/c1-22-7-3-5-15-35(22)17-13-30(37)32-26-11-9-24-19-25-10-12-27(21-29(25)34-28(24)20-26)33-31(38)14-18-36-16-6-4-8-23(36)2/h9-12,19-23H,3-8,13-18H2,1-2H3,(H,32,37)(H,33,38)/t22-,23-/m1/s1","N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}","2008-10-06","2021-03-13","N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}",""],["973","(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE","C21 H13 Cl O3","O=C2O/C(C(O)=C2c1ccc(Cl)cc1)=Cc4c3ccccc3ccc4;OC1=C(C(=O)OC1=Cc2cccc3ccccc23)c4ccc(Cl)cc4;c1ccc2c(c1)cccc2C=C3C(=C(C(=O)O3)c4ccc(cc4)Cl)O","InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-","","2007-06-11","2011-06-04","(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2(5H)-one",""],["974","1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID","C28 H27 F2 N6 O5","Fc4c(c(F)c(Oc1cc(C(=[N@H])N)ccc1O)[nH+]c4Oc3cc(c2nccn2C)ccc3)N5CC(C(=O)O)CCC5;Cn1ccnc1c2cccc(Oc3[nH+]c(Oc4cc(ccc4O)C(N)=N)c(F)c(N5CCC[CH](C5)C(O)=O)c3F)c2;Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCCC(C5)C(=O)O)F","InChI=1S/C28H26F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-9,11-13,17,37H,3,5,10,14H2,1H3,(H3,31,32)(H,38,39)/p+1/t17-/m1/s1","ZK-806974","1999-07-08","2021-03-01","2-(5-carbamimidoyl-2-hydroxyphenoxy)-4-[(3R)-3-carboxypiperidin-1-yl]-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium",""],["NCK","3,6-Bis[3-(4-methylpiperidino)propionamido]acridine","C31 H41 N5 O2","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC(CC4)C)CCN5CCC(C)CC5;CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3c2;CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C","InChI=1S/C31H41N5O2/c1-22-7-13-35(14-8-22)17-11-30(37)32-26-5-3-24-19-25-4-6-27(21-29(25)34-28(24)20-26)33-31(38)12-18-36-15-9-23(2)10-16-36/h3-6,19-23H,7-18H2,1-2H3,(H,32,37)(H,33,38)","N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]","2008-10-06","2021-03-13","N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]",""],["NCL","3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine","C31 H41 N5 O2","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCC(C4)C)CCN5CCCC(C)C5;C[CH]1CCCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[CH](C)C5)cc4nc3c2)C1;CC1CCCN(C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCCC(C5)C","InChI=1S/C31H41N5O2/c1-22-5-3-13-35(20-22)15-11-30(37)32-26-9-7-24-17-25-8-10-27(19-29(25)34-28(24)18-26)33-31(38)12-16-36-14-4-6-23(2)21-36/h7-10,17-19,22-23H,3-6,11-16,20-21H2,1-2H3,(H,32,37)(H,33,38)/t22-,23-/m1/s1","N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}","2008-10-08","2020-06-17","N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}",""],["975","4-(2-hydroxyethyl)benzene-1,2-diol","C8 H10 O3","OCCc1ccc(O)c(O)c1;c1cc(c(cc1CCO)O)O","InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2","","2017-04-26","2018-11-02","4-(2-hydroxyethyl)benzene-1,2-diol","2018-11-07"],["NCM","NORCAMPHOR","C7 H10 O","O=C1CC2CC1CC2;O=C1C[CH]2CC[CH]1C2;C1CC2CC1CC2=O","InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+/m0/s1","","1999-07-08","2011-06-04","(1R,4S)-bicyclo[2.2.1]heptan-2-one",""],["976","(2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid","C21 H20 Cl N O2","CCC[CH](C(O)=O)c1c(C)nc2ccc(Cl)cc2c1c3ccccc3;CCCC(c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O","InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)/t16-/m0/s1","","2010-02-19","2011-06-04","(2S)-2-(6-chloro-2-methyl-4-phenyl-quinolin-3-yl)pentanoic acid",""],["NCN","NICOTINATE MONONUCLEOTIDE","C11 H14 N O9 P","[O-]P(=O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)([O-])=O)[n+]2cccc(c2)C(O)=O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)O","InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1","NAMN","1999-07-08","2020-06-17","3-carboxy-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium",""],["977","2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL","C10 H8 Br N3 O","Brc2c(O)nc(nc2c1ccccc1)N;Nc1nc(O)c(Br)c(n1)c2ccccc2;c1ccc(cc1)c2c(c(nc(n2)N)O)Br","InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)","","2004-03-05","2011-06-04","2-amino-5-bromo-6-phenylpyrimidin-4-ol",""],["NCO","COBALT HEXAMMINE(III)","Co H18 N6","N.N.N.N.N.N.[Co+3];[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]","InChI=1S/Co.6H3N/h;6*1H3/q+3;;;;;;","","1999-07-08","2023-09-23","hexakis($l^{4}-azanyl)cobalt(3+)",""],["978","N-[4-(3-methylbenzamido)phenyl]-5-nitrofuran-2-carboxamide","C19 H15 N3 O5","O=C(Nc1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc(o1)[N+](=O)[O-];Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3oc(cc3)[N+]([O-])=O)cc2;Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(o3)[N+](=O)[O-]","InChI=1S/C19H15N3O5/c1-12-3-2-4-13(11-12)18(23)20-14-5-7-15(8-6-14)21-19(24)16-9-10-17(27-16)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)","","2023-07-14","2026-04-03","N-[4-(3-methylbenzamido)phenyl]-5-nitrofuran-2-carboxamide","2024-01-10"],["979","5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE","C24 H25 N5 O","n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5;C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23;c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5","InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)","FURANOPYRIDIMIDINE 1","2007-01-12","2021-03-01","5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine",""],["NCP","CIS-DIAMINODICHLOROPLATINUM","Cl2 H4 N2 Pt","Cl[Pt](Cl)(N)N;N[Pt](N)(Cl)Cl;N[Pt](N)(Cl)Cl","InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2","","2005-07-28","2014-07-25","platinum(4+) chloride azanide (1:2:2)",""],["97A","4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile","C14 H13 F3 N2 O2","C1(CC(N(C1CC)c2ccc(C#N)c(C(F)(F)F)c2)=O)O;CC[CH]1[CH](O)CC(=O)N1c2ccc(C#N)c(c2)C(F)(F)F;CCC1C(CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O","InChI=1S/C14H13F3N2O2/c1-2-11-12(20)6-13(21)19(11)9-4-3-8(7-18)10(5-9)14(15,16)17/h3-5,11-12,20H,2,6H2,1H3/t11-,12-/m0/s1","","2017-04-05","2017-05-19","4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile","2017-05-24"],["NCQ","3,6-Bis[3-(azepan-1-yl)propionamido]acridine","C31 H41 N5 O2","O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCCC4)CCN5CCCCCC5;O=C(CCN1CCCCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2;c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5","InChI=1S/C31H41N5O2/c37-30(13-19-35-15-5-1-2-6-16-35)32-26-11-9-24-21-25-10-12-27(23-29(25)34-28(24)22-26)33-31(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-23H,1-8,13-20H2,(H,32,37)(H,33,38)","N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)","2008-10-13","2021-03-13","N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)",""],["NCR","2-NITRO-P-CRESOL","C7 H7 N O3","O=[N+]([O-])c1cc(ccc1O)C;Cc1ccc(O)c(c1)[N+]([O-])=O;Cc1ccc(c(c1)[N+](=O)[O-])O","InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3","","1999-07-08","2011-06-04","4-methyl-2-nitrophenol",""],["97B","9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine","C30 H25 Cl F2 N6 O","O=C(N1CCN(C)CC1)c6ccc(Nc4nc3c2ccc(Cl)cc2C(=NCc3cn4)c5c(F)cccc5F)cc6;CN1CCN(CC1)C(=O)c2ccc(Nc3ncc4CN=C(c5cc(Cl)ccc5c4n3)c6c(F)cccc6F)cc2;CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl","InChI=1S/C30H25ClF2N6O/c1-38-11-13-39(14-12-38)29(40)18-5-8-21(9-6-18)36-30-35-17-19-16-34-28(26-24(32)3-2-4-25(26)33)23-15-20(31)7-10-22(23)27(19)37-30/h2-10,15,17H,11-14,16H2,1H3,(H,35,36,37)","","2009-04-15","2011-06-04","9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine",""],["NCS","SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]]","C35 H36 N O12","O=C1OCC(O1)C3(O)c2cc7c(cc2C=C3)C(OC4OC(C(O)C(O)C4[NH2+]C)C)C8OC(=O)C6(c5cc(OC)cc(c5C=CC6=O)C)C78;C[NH2+][CH]1[CH](O)[CH](O)[CH](C)O[CH]1O[CH]2[CH]3OC(=O)[C]4([CH]3c5cc6c(C=C[C]6(O)[CH]7COC(=O)O7)cc25)C(=O)C=Cc8c(C)cc(OC)cc48;Cc1cc(cc2c1C=CC(=O)C23C4c5cc6c(cc5C(C4OC3=O)OC7C(C(C(C(O7)C)O)O)[NH2+]C)C=CC6(C8COC(=O)O8)O)OC","InChI=1S/C35H35NO12/c1-14-9-17(43-4)11-22-18(14)5-6-23(37)35(22)25-19-12-21-16(7-8-34(21,42)24-13-44-33(41)46-24)10-20(19)29(30(25)48-32(35)40)47-31-26(36-3)28(39)27(38)15(2)45-31/h5-12,15,24-31,36,38-39,42H,13H2,1-4H3/p+1/t15-,24-,25-,26-,27+,28-,29-,30-,31-,34-,35+/m1/s1","","1999-07-08","2011-06-04","(3S,3aS,5R,9R,9aR)-5-hydroxy-7'-methoxy-5'-methyl-2,2'-dioxo-5-[(4R)-2-oxo-1,3-dioxolan-4-yl]-3a,5,9,9a-tetrahydro-2'H-spiro[s-indaceno[2,1-b]furan-3,1'-naphthalen]-9-yl 2,6-dideoxy-2-(methylammonio)-alpha-D-galactopyranoside",""],["97C","2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate","C13 H26 O4","O=C(OCCOCCCC(O)CC)CCCC;CCCCC(=O)OCCOCCC[CH](O)CC;CCCCC(=O)OCCOCCCC(CC)O","InChI=1S/C13H26O4/c1-3-5-8-13(15)17-11-10-16-9-6-7-12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m1/s1","","2021-10-04","2022-01-14","2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate","2022-01-19"],["97E","1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile","C26 H15 Cl N8 O","Clc1ccccc1n2c(nnc2c3ccncn3)c4ccc(cc4)N5C(=O)Nc6cc(ccc56)C#N;c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl","InChI=1S/C26H15ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-13,15H,(H,31,36)","","2017-04-27","2017-11-24","1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile","2017-11-29"],["NCT","(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE","C10 H14 N2","n1cc(ccc1)C2N(C)CCC2;CN1CCC[CH]1c2cccnc2;CN1CCCC1c2cccnc2","InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1","(S)-(-)-NICOTINE; 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE","2003-04-21","2020-05-27","3-[(2S)-1-methylpyrrolidin-2-yl]pyridine",""],["97F","(2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide","C21 H20 N6 O2","C[CH](Nc1cc(nn2c(C)nnc12)c3ccccc3Oc4ccccc4)C(N)=O;Cc1nnc2n1nc(cc2NC(C)C(=O)N)c3ccccc3Oc4ccccc4","InChI=1S/C21H20N6O2/c1-13(20(22)28)23-18-12-17(26-27-14(2)24-25-21(18)27)16-10-6-7-11-19(16)29-15-8-4-3-5-9-15/h3-13,23H,1-2H3,(H2,22,28)/t13-/m1/s1","","2022-03-10","2023-03-17","(2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide","2023-03-22"],["NCU","[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate","C12 H19 N4 O8 P","O=C1N=C(N)C(=CN1C3OC2(C(O)C3ON(C)C2)COP(=O)(O)O)C;CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH]2O)N3C=C(C)C(=NC3=O)N;CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CN(O3)C)COP(=O)(O)O)O","InChI=1S/C12H19N4O8P/c1-6-3-16(11(18)14-9(6)13)10-7-8(17)12(23-10,4-15(2)24-7)5-22-25(19,20)21/h3,7-8,10,17H,4-5H2,1-2H3,(H2,13,14,18)(H2,19,20,21)/t7-,8+,10-,12-/m1/s1","","2014-08-05","2015-08-14","[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate","2015-08-19"],["NCV","N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine","C10 H16 N2 O4","O=C1C(=C(N(C(=O)N1)C)CC(CO)CO)C;CN1C(=O)NC(=O)C(=C1CC(CO)CO)C;CC1=C(N(C(=O)NC1=O)C)CC(CO)CO","InChI=1S/C10H16N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h7,13-14H,3-5H2,1-2H3,(H,11,15,16)","6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione; N-methyl-DHBT","2008-10-29","2020-05-27","6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione",""],["97H","2-(3-aminophenyl)-3~{H}-quinazolin-4-one","C14 H11 N3 O","Nc1cccc(c1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N","InChI=1S/C14H11N3O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)","","2017-04-27","2018-03-02","2-(3-aminophenyl)-3~{H}-quinazolin-4-one","2018-03-07"],["NCW","(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide","C15 H28 N2 O4 S","S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC;CCCCCCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[CH]2O;CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O","InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-10-9-21-14(17)13(20)12(19)11(10)18/h10-14,18-20H,2-9H2,1H3,(H,16,22)/t10-,11+,12-,13+,14+/m0/s1","","2008-04-09","2011-06-04","(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide",""],["97I","(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol","C30 H52 O4","CC(C)=CCC[C](C)(O)[CH]1CC[C]2(C)[CH]1[CH](O)C[CH]3[C]4(C)CC[CH](O)C(C)(C)[CH]4[CH](O)C[C]23C;CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)O)C","InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1","","2022-01-07","2022-12-02","(3~{S},5~{R},6~{S},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6,12-triol","2022-12-07"],["NCX","1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE","C14 H16 N3 O9 P","[O-][N+](=O)c2cc1c(cn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O)C(=O)N;NC(=O)c1cn([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+]([O-])=O;c1cc2c(cc1[N+](=O)[O-])c(cn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N","InChI=1S/C14H16N3O9P/c15-14(19)9-5-16(10-2-1-7(17(20)21)3-8(9)10)13-4-11(18)12(26-13)6-25-27(22,23)24/h1-3,5,11-13,18H,4,6H2,(H2,15,19)(H2,22,23,24)/t11-,12+,13+/m0/s1","","2007-01-25","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole-3-carboxamide",""],["97K","2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one","C15 H10 N4 O","O=C1NC(=Nc2ccccc12)c3ccc4n[nH]cc4c3;c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4","InChI=1S/C15H10N4O/c20-15-11-3-1-2-4-13(11)17-14(18-15)9-5-6-12-10(7-9)8-16-19-12/h1-8H,(H,16,19)(H,17,18,20)","","2017-04-27","2018-03-02","2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one","2018-03-07"],["NCY","N-METHYLCYSTEINE","C4 H9 N O2 S","O=C(O)C(NC)CS;CN[CH](CS)C(O)=O;CNC(CS)C(=O)O","InChI=1S/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2024-09-27","N-methyl-L-cysteine",""],["97L","(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile","C22 H16 N6 O S","O=C1NN=C(CN)c2cc(ccc12)c1cnn(C)c1c1sc2ccccc2c1C#N;Cn1ncc(c2ccc3C(=O)NN=C(CN)c3c2)c1c4sc5ccccc5c4C#N;Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N","InChI=1S/C22H16N6OS/c1-28-20(21-16(9-23)13-4-2-3-5-19(13)30-21)17(11-25-28)12-6-7-14-15(8-12)18(10-24)26-27-22(14)29/h2-8,11H,10,24H2,1H3,(H,27,29)","","2021-10-05","2022-01-21","(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile","2022-01-26"],["NCZ","2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER","C18 H18 O6","O=C(OC1C(O)C=CC1O)c3c2cc(OC)cc(c2ccc3O)C;COc1cc(C)c2ccc(O)c(C(=O)O[CH]3[CH](O)C=C[CH]3O)c2c1;Cc1cc(cc2c1ccc(c2C(=O)OC3C(C=CC3O)O)O)OC","InChI=1S/C18H18O6/c1-9-7-10(23-2)8-12-11(9)3-4-13(19)16(12)18(22)24-17-14(20)5-6-15(17)21/h3-8,14-15,17,19-21H,1-2H3/t14-,15+,17+","","2002-05-23","2011-06-04","(1r,2R,5S)-2,5-dihydroxycyclopent-3-en-1-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate",""],["97M","(2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate","C19 H36 O4","CCCCCC[C@H]=[C@H]CCCCCCCC(=O)OCC(CO)O;CCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO;CCCCCCC=CCCCCCCCC(=O)OCC(CO)O","InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m1/s1","","2015-08-21","2016-08-12","(2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate","2016-08-17"],["ND","Neodymium Ion","Nd","[Nd+3];[Nd+3];[Nd+3]","InChI=1S/Nd/q+3","","2021-04-13","2021-08-27","neodymium","2021-09-01"],["97N","(2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate","C19 H36 O4","CCCCCCC=C/CCCCCCCC(=O)OCC(O)CO;CCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO;CCCCCCC=CCCCCCCCC(=O)OCC(CO)O","InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1","","2015-08-21","2016-08-12","(2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate","2016-08-17"],["97O","6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole","C21 H22 N2 O4","COc1ccc(cc1)c2[nH]nc3CCc4c(OC)c(OC)c(OC)cc4c23;COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC","InChI=1S/C21H22N2O4/c1-24-13-7-5-12(6-8-13)19-18-15-11-17(25-2)21(27-4)20(26-3)14(15)9-10-16(18)22-23-19/h5-8,11H,9-10H2,1-4H3,(H,22,23)","","2018-01-26","2019-01-11","6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole","2019-01-16"],["ND0","N-[4-(1,3-thiazol-5-yl)phenyl]-4-[2-(trifluoromethyl)phenyl]carbonyl-1H-pyrrole-2-carboxamide","C22 H14 F3 N3 O2 S","FC(F)(F)c1ccccc1C(=O)c2c[nH]c(c2)C(=O)Nc3ccc(cc3)c4scnc4;c1ccc(c(c1)C(=O)c2cc([nH]c2)C(=O)Nc3ccc(cc3)c4cncs4)C(F)(F)F","InChI=1S/C22H14F3N3O2S/c23-22(24,25)17-4-2-1-3-16(17)20(29)14-9-18(27-10-14)21(30)28-15-7-5-13(6-8-15)19-11-26-12-31-19/h1-12,27H,(H,28,30)","YL-5092","2023-01-12","2025-12-19","~{N}-[4-(1,3-thiazol-5-yl)phenyl]-4-[2-(trifluoromethyl)phenyl]carbonyl-1~{H}-pyrrole-2-carboxamide","2025-12-24"],["ND1","(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide","C30 H29 F4 N5 O2","c1cc(cnc1OCCNC[C@H]=[C@H]C(N(C)C)=O)C(=C(/c2ccccc2)CC(F)(F)F)c4cc3c(F)nnc3cc4;CN(C)C(=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F)F)c2ccccc2)c3ccc4n[nH]c(F)c4c3;CN(C)C(=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F)F)c2ccccc2)c3ccc4c(c3)c([nH]n4)F","InChI=1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6?,28-24-","","2019-05-10","2024-09-27","(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide","2019-06-19"],["97Q","2,8-bis(trifluoromethyl)quinolin-4-ol","C11 H5 F6 N O","Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F;c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O","InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)","","2017-04-27","2021-06-25","2,8-bis(trifluoromethyl)quinolin-4-ol","2021-06-30"],["ND2","4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine","C24 H29 N9 O","CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)c6cnn(C)c6)cn2;CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C","InChI=1S/C24H29N9O/c1-24(8-9-24)34-22-21-20(5-4-19(28-21)16-12-25-32(3)14-16)29-23(30-22)27-17-13-26-33(15-17)18-6-10-31(2)11-7-18/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,29,30)","","2019-11-22","2020-10-23","4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine","2020-10-28"],["97S","2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile","C19 H18 Cl N5 O","CCNC1=C(C)C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12;CCNC1=C(C(=O)N(c2c1cc(cc2)Nc3ccnc(c3C#N)Cl)C)C","InChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24)","","2021-11-10","2022-08-22","2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile","2022-06-15"],["ND3","2,2-dimethyl-3-dehydroquinic acid","C9 H14 O6","O=C1C(C(O)(C(=O)O)CC(O)C1O)(C)C;CC1(C)C(=O)[CH](O)[CH](O)C[C]1(O)C(O)=O;CC1(C(=O)C(C(CC1(C(=O)O)O)O)O)C","InChI=1S/C9H14O6/c1-8(2)6(12)5(11)4(10)3-9(8,15)7(13)14/h4-5,10-11,15H,3H2,1-2H3,(H,13,14)/t4-,5+,9+/m1/s1","","2014-01-10","2015-03-20","(1R,4S,5R)-1,4,5-trihydroxy-2,2-dimethyl-3-oxocyclohexanecarboxylic acid","2015-03-25"],["97T","2-(1,2-oxazol-5-yl)phenol","C9 H7 N O2","Oc1ccccc1c2oncc2;c1ccc(c(c1)c2ccno2)O","InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-6-10-12-9/h1-6,11H","","2017-04-28","2020-02-28","2-(1,2-oxazol-5-yl)phenol","2020-03-04"],["ND4","AMMONIUM CATION WITH D","N","[2H][N+]([2H])([2H])[2H];[N+]([2H])([2H])([2H])[2H];[2H][N+]([2H])([2H])[2H]","InChI=1S/H3N/h1H3/p+1/i/hD4","","1999-07-08","2011-06-08","(~2~H_4_)ammonium",""],["97U","(2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid","C20 H18 Cl N O6","C[CH]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[CH](Cc3ccccc3)C(O)=O;CC1Cc2c(cc(c(c2C(=O)O1)O)C(=O)NC(Cc3ccccc3)C(=O)O)Cl","InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1","","2022-01-11","2022-01-14","(2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid","2022-01-19"],["97V","4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide","C29 H31 N7 O4 S","CS(c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3nnnn3)c4ccc(cc4)C5CCCCC5)(=O)=O;C[S](=O)(=O)c1cccc(NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5)c1;CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5","InChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)","","2017-04-06","2017-05-12","4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide","2017-05-17"],["ND5","3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid","C10 H9 Br2 N O4","OC(=O)CCON=Cc1cc(Br)cc(Br)c1O;c1c(cc(c(c1C=NOCCC(=O)O)O)Br)Br","InChI=1S/C10H9Br2NO4/c11-7-3-6(10(16)8(12)4-7)5-13-17-2-1-9(14)15/h3-5,16H,1-2H2,(H,14,15)/b13-5+","","2019-11-22","2020-10-16","3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid","2020-10-21"],["ND6","6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile","C20 H23 N5 O2","O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1;C[CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1;CC(CO)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N","InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1","","2022-03-31","2023-03-24","6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile","2023-03-29"],["97W","7-(trifluoromethyl)quinolin-4-ol","C10 H6 F3 N O","Oc1ccnc2cc(ccc12)C(F)(F)F;c1cc2c(ccnc2cc1C(F)(F)F)O","InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)","","2017-04-28","2021-06-25","7-(trifluoromethyl)quinolin-4-ol","2021-06-30"],["ND7","5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine","C10 H15 N6 O6 P","OP(OCC3C(C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](N)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N)O)O)O)N","InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1","","2019-05-10","2024-09-27","5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine","2019-05-22"],["97X","(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile","C24 H18 N6 O","N#Cc1c2ccccc2ccc1c1n(C)ncc1c1ccc2C(=O)NN=C(CN)c2c1;Cn1ncc(c2ccc3C(=O)NN=C(CN)c3c2)c1c4ccc5ccccc5c4C#N;Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N","InChI=1S/C24H18N6O/c1-30-23(17-8-6-14-4-2-3-5-16(14)20(17)11-25)21(13-27-30)15-7-9-18-19(10-15)22(12-26)28-29-24(18)31/h2-10,13H,12,26H2,1H3,(H,29,31)","","2021-10-05","2022-01-21","(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile","2022-01-26"],["ND8","benzothiophene 2 carboxylic acid","C9 H6 O2 S","OC(=O)c1sc2ccccc2c1;c1ccc2c(c1)cc(s2)C(=O)O","InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)","","2019-11-22","2020-06-19","1-benzothiophene-2-carboxylic acid","2020-06-24"],["97Y","N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine","C26 H28 F3 N5 O3","C(Nc1cnc(cc1)n2cc(C(F)(F)F)nc2)(C3CC(C)(C)C3)c4ccc(cc4)C(=O)NCCC(O)=O;CC1(C)CC(C1)[CH](Nc2ccc(nc2)n3cnc(c3)C(F)(F)F)c4ccc(cc4)C(=O)NCCC(O)=O;CC1(CC(C1)C(c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C","InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1","","2017-04-06","2017-05-19","N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine","2017-05-24"],["97Z","2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one","C18 H17 N3 O2","O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOCC4;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4","InChI=1S/C18H17N3O2/c22-18-15-3-1-2-4-16(15)19-17(20-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22)","","2017-04-28","2018-03-02","2-(4-morpholin-4-ylphenyl)-3~{H}-quinazolin-4-one","2018-03-07"],["ND9","N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","C21 H30 Cl N3 O3","N[CH]1CC[C](CC1)(Oc2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl;c1ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl","InChI=1S/C21H30ClN3O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-6-17(23)7-11-21)28-18-4-2-1-3-5-18/h1-5,16-17H,6-15,23H2,(H,24,26)/t17-,21-","","2022-08-17","2024-09-27","~{N}-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","2023-09-20"],["NDA","3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE","C21 H29 N7 O13 P2","NCc1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)CN","InChI=1S/C21H29N7O13P2/c22-4-10-2-1-3-27(5-10)20-16(31)14(29)11(39-20)6-37-42(33,34)41-43(35,36)38-7-12-15(30)17(32)21(40-12)28-9-26-13-18(23)24-8-25-19(13)28/h1-3,5,8-9,11-12,14-17,20-21,29-32H,4,6-7,22H2,(H3-,23,24,25,33,34,35,36)/t11-,12-,14-,15-,16-,17-,20-,21-/m1/s1","","2000-02-03","2011-06-04","[(2R,3S,4R,5R)-5-[3-(aminomethyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["98","(4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C10 H12 N2 O","CC1Nc2c(NC(C1)=O)cccc2;C[CH]1CC(=O)Nc2ccccc2N1;CC1CC(=O)Nc2ccccc2N1","InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1","","2015-03-12","2021-10-26","(4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["NDB","N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium","C7 H18 N O4 S","O=S(=O)(O)CCC[N+](C)(CCO)C;C[N+](C)(CCO)CCC[S](O)(=O)=O;C[N+](C)(CCCS(=O)(=O)O)CCO","InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3/p+1","","2009-10-21","2011-06-04","N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium",""],["980","(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one","C23 H30 N8 O3 S","O=C(N1CCN(CC1)Cc3sc2c(nc(nc2c3C)c4cnc(nc4)N)N5CCOCC5)C(O)C;C[CH](O)C(=O)N1CCN(CC1)Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5;Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)C(C)O","InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1","","2011-09-02","2011-10-28","(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one",""],["NDC","NICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONE","C27 H35 N7 O15 P2","NC(=O)c1c[n+](ccc1[CH]2CCCCC2=O)[CH]3O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1c[n+](cc(c1C2CCCCC2=O)C(=O)N)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C27H35N7O15P2/c28-23-18-25(31-10-30-23)34(11-32-18)27-22(39)20(37)17(48-27)9-46-51(43,44)49-50(41,42)45-8-16-19(36)21(38)26(47-16)33-6-5-12(14(7-33)24(29)40)13-3-1-2-4-15(13)35/h5-7,10-11,13,16-17,19-22,26-27,36-39H,1-4,8-9H2,(H5-,28,29,30,31,40,41,42,43,44)/t13-,16+,17+,19+,20+,21+,22+,26+,27+/m0/s1","","1999-07-08","2012-01-05","[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1S)-2-oxocyclohexyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["981","6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C25 H23 Cl2 F N6 O","c1(ccc(c(c1)Cl)C=2C(=O)N(c3c(C=2)cnc(n3)Nc5cc(F)c(N4CCNCC4)cc5)CC)Cl;CCN1C(=O)C(=Cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12)c5ccc(Cl)cc5Cl;CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl","InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)","","2017-04-06","2017-10-13","6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","2017-10-18"],["NDD","2,6-DICARBOXYNAPHTHALENE","C12 H8 O4","O=C(O)c1ccc2c(c1)ccc(C(=O)O)c2;OC(=O)c1ccc2cc(ccc2c1)C(O)=O;c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O","InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)","","1999-07-08","2024-09-27","naphthalene-2,6-dicarboxylic acid",""],["982","3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID","C10 H7 N O5 S","O=C(O)COc1c2cccnc2sc1C(=O)O;OC(=O)COc1c(sc2ncccc12)C(O)=O;c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O","InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)","","2005-09-30","2011-06-04","3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid",""],["NDE","ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT","C24 H32 N7 O20 P3","NC(=O)c1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c[n+](cc(c1C(C(=O)COP(=O)(O)O)O)C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C24H32N7O20P3/c25-20-14-22(28-7-27-20)31(8-29-14)24-19(37)17(35)13(50-24)6-48-54(44,45)51-53(42,43)47-5-12-16(34)18(36)23(49-12)30-2-1-9(10(3-30)21(26)38)15(33)11(32)4-46-52(39,40)41/h1-3,7-8,12-13,15-19,23-24,33-37H,4-6H2,(H7-,25,26,27,28,38,39,40,41,42,43,44,45)/t12-,13-,15?,16-,17-,18-,19-,23-,24-/m1/s1","NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE)","2002-11-11","2021-03-01","[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["983","(5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]-5-BENZYL-10-HYDROXY-9-ISOPROPYL-3-OXO-1-PHENYL-2-OXA-7-THIA-4,8-DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10-TRIOXIDE","C31 H40 N3 O8 P S","O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NS(=O)(=O)CC(NC(=O)OCc2ccccc2)Cc3ccccc3)C(C)C;CC(C)[CH](N[S](=O)(=O)C[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)[P](O)(=O)C[CH](C(O)=O)c3cccc(CN)c3;CC(C)C(NS(=O)(=O)CC(Cc1ccccc1)NC(=O)OCc2ccccc2)P(=O)(CC(c3cccc(c3)CN)C(=O)O)O","InChI=1S/C31H40N3O8PS/c1-22(2)29(43(38,39)20-28(30(35)36)26-15-9-14-25(16-26)18-32)34-44(40,41)21-27(17-23-10-5-3-6-11-23)33-31(37)42-19-24-12-7-4-8-13-24/h3-16,22,27-29,34H,17-21,32H2,1-2H3,(H,33,37)(H,35,36)(H,38,39)/t27-,28-,29+/m0/s1","","2007-04-26","2011-06-04","(5S,9R,10R,12S)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-(1-methylethyl)-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide",""],["NDF","N-(CARBOXYCARBONYL)-D-PHENYLALANINE","C11 H11 N O5","O=C(O)C(=O)NC(C(=O)O)Cc1ccccc1;OC(=O)[CH](Cc1ccccc1)NC(=O)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)C(=O)O","InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1","","2004-12-26","2011-06-04","N-(carboxycarbonyl)-D-phenylalanine",""],["984","CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE","C25 H30 Cl2 N6","Clc1ccc(cc1Cl)c4nc(n(c4c2nc(ncc2)NC3CC3)CCC)C5CCN(C)CC5;CCCn1c(nc(c2ccc(Cl)c(Cl)c2)c1c3ccnc(NC4CC4)n3)C5CCN(C)CC5;CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5","InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)","","2003-06-13","2011-06-04","N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine",""],["985","(2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid","C19 H22 N4 O2","O=C(O)C=Cc1cccc(c1)c3nc(N2CCCN(C)CC2)cnc3;CN1CCCN(CC1)c2cncc(n2)c3cccc(C=CC(O)=O)c3;CN1CCCN(CC1)c2cncc(n2)c3cccc(c3)C=CC(=O)O","InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+","","2008-11-04","2011-06-04","(2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid",""],["NDG","2-acetamido-2-deoxy-alpha-D-glucopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1","N-acetyl-alpha-D-glucosamine; 2-acetamido-2-deoxy-alpha-D-glucose; 2-acetamido-2-deoxy-D-glucose;\n2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE","2002-07-02","2024-09-27","2-(acetylamino)-2-deoxy-alpha-D-glucopyranose",""],["NDH","(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE","C10 H10 O2","OC2C=Cc1c(cccc1)C2O;O[CH]1C=Cc2ccccc2[CH]1O;c1ccc2c(c1)C=CC(C2O)O","InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1","(1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL","2002-11-11","2020-06-17","(1R,2S)-1,2-dihydronaphthalene-1,2-diol",""],["986","(4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C10 H12 N2 O","CC1Nc2c(NC(C1)=O)cccc2;C[CH]1CC(=O)Nc2ccccc2N1;CC1CC(=O)Nc2ccccc2N1","InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1","","2015-03-12","2021-10-26","(4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2016-04-20"],["NDI","2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide","C14 H20 N4 O2","O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C;CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C;Cc1ccncc1NC(=O)CN2CCN(CC2)C(=O)C","InChI=1S/C14H20N4O2/c1-11-3-4-15-9-13(11)16-14(20)10-17-5-7-18(8-6-17)12(2)19/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)","","2023-08-16","2023-11-03","2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["987","N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid\ne","C22 H27 Cl N4 O4 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)NC4C(=O)N(C(C(=O)N3CCCC(N)C3)C)CC4;C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCC[CH](N)C4;CC(C(=O)N1CCCC(C1)N)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl","InChI=1S/C22H27ClN4O4S/c1-14(21(28)26-9-2-3-18(24)13-26)27-10-8-20(22(27)29)25-32(30,31)19-7-5-15-11-17(23)6-4-16(15)12-19/h4-7,11-12,14,18,20,25H,2-3,8-10,13,24H2,1H3/t14-,18-,20-/m0/s1","GTC000422","2015-02-13","2020-06-17","N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide","2015-09-30"],["988","8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline","C21 H15 N3 O2","[O-][N+](=O)c1cccc(c1)c3cc(cc2cccnc23)Cc4ccncc4;[O-][N+](=O)c1cccc(c1)c2cc(Cc3ccncc3)cc4cccnc24;c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4","InChI=1S/C21H15N3O2/c25-24(26)19-5-1-3-17(14-19)20-13-16(11-15-6-9-22-10-7-15)12-18-4-2-8-23-21(18)20/h1-10,12-14H,11H2","","2009-02-16","2011-06-04","8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline",""],["NDJ","(2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide","C11 H22 N2 O4 S","S=C(NCCCC)N1C(C(O)C(O)C(O)C1)CO;CCCCNC(=S)N1C[CH](O)[CH](O)[CH](O)[CH]1CO;CCCCNC(=S)N1CC(C(C(C1CO)O)O)O","InChI=1S/C11H22N2O4S/c1-2-3-4-12-11(18)13-5-8(15)10(17)9(16)7(13)6-14/h7-10,14-17H,2-6H2,1H3,(H,12,18)/t7-,8+,9+,10-/m1/s1","","2013-07-26","2014-04-11","(2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide","2014-04-16"],["989","2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID","C29 H31 N3 O7","O=C(N(c2c1ccccc1c(cc2)CC(C(=O)NCCCCC)NC(=O)C)c3ccccc3C(=O)O)C(=O)O;CCCCCNC(=O)[CH](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c3ccccc13)NC(C)=O;CCCCCNC(=O)C(Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C","InChI=1S/C29H31N3O7/c1-3-4-9-16-30-26(34)23(31-18(2)33)17-19-14-15-25(21-11-6-5-10-20(19)21)32(27(35)29(38)39)24-13-8-7-12-22(24)28(36)37/h5-8,10-15,23H,3-4,9,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)(H,38,39)/t23-/m0/s1","COMPOUND 12; N-ACETYL-4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-N-PENTYL-1-NAPTHYLALANIAMIDE","2003-01-30","2020-05-26","2-[{4-[(2S)-2-(acetylamino)-3-oxo-3-(pentylamino)propyl]naphthalen-1-yl}(carboxycarbonyl)amino]benzoic acid",""],["NDK","6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile","C19 H21 F N6 O","O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc(C#N)nn1;CC(C)c1ncc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1F;CC(C)c1c(cc(cn1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)F","InChI=1S/C19H21FN6O/c1-13(2)19-16(20)9-14(12-22-19)10-18(27)26-7-5-25(6-8-26)17-4-3-15(11-21)23-24-17/h3-4,9,12-13H,5-8,10H2,1-2H3","","2022-04-01","2023-03-31","6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile","2023-04-05"],["98A","6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine","C18 H19 N9","Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncccn5)c3c2;Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncccn5","InChI=1S/C18H19N9/c1-24-11-15(10-22-24)14-9-16-17(21-13-23-27(16)12-14)25-5-7-26(8-6-25)18-19-3-2-4-20-18/h2-4,9-13H,5-8H2,1H3","","2023-07-14","2023-12-22","6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine","2023-12-27"],["NDM","7,9-DIMETHYLGUANINE","C7 H14 N5 O","OC2c1[n+](cn(c1NC(N)N2)C)C;Cn1c[n+](C)c2[CH](O)N[CH](N)Nc12;Cn1c[n+](c2c1NC(NC2O)N)C","InChI=1S/C7H14N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3,6-7,9-10,13H,8H2,1-2H3/q+1/t6-,7+/m0/s1","","2001-08-29","2011-06-04","(2R,6S)-2-amino-6-hydroxy-7,9-dimethyl-2,3,6,9-tetrahydro-1H-purin-7-ium",""],["NDN","2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE)","C9 H12 N3 O10 P","[O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NC2=O)[N+]([O-])=O;C1C(C(OC1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O","InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1","[(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","2007-11-07","2020-06-17","2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)",""],["98B","(1S)-1-phenylethanamine","C8 H11 N","NC(C)c1ccccc1;C[CH](N)c1ccccc1;CC(c1ccccc1)N","InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1","","2015-03-04","2016-04-01","(1S)-1-phenylethanamine","2016-04-06"],["NDO","NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-ADENINE)-DINUCLEOTIDE PHOSPHATE","C21 H27 N6 O18 P3","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(O)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N","InChI=1S/C21H27N6O18P3/c22-17(31)9-2-1-3-26(4-9)20-15(30)13(28)10(42-20)5-40-47(36,37)45-48(38,39)41-6-11-14(29)16(44-46(33,34)35)21(43-11)27-8-25-12-18(27)23-7-24-19(12)32/h1-4,7-8,10-11,13-16,20-21,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(6-hydroxypurin-9-yl)-4-phosphonooxy-oxolan-2-yl]methoxy]phosphoryl] phosphate",""],["98C","N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide","C18 H22 N2 O3","COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1;COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1;COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC","InChI=1S/C18H22N2O3/c1-22-16-7-3-14(4-8-16)11-19-13-18(21)20-12-15-5-9-17(23-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21)","","2021-10-05","2021-10-29","N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide","2021-11-03"],["NDP","NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE","C21 H30 N7 O17 P3","NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","1999-07-08","2024-09-27","[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",""],["98D","1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C26 H30 N8 O2","n3cc2c(N(c1nc(C(O)C)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5;C[CH](O)c1cccc(n1)N2N(CC=C)C(=O)c3cnc(Nc4ccc(cc4)N5CCN(C)CC5)nc23;CC(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O","InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m0/s1","","2017-04-09","2018-03-29","1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2018-04-04"],["98E","(S)-N-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide","C25 H32 Cl N5 O2","C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(Cl)cc(NC(=O)c4cnc(C)nc4)c3C;Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN(C(C3)C)C(=O)C4CCCC4","InChI=1S/C25H32ClN5O2/c1-16-14-30(8-9-31(16)25(33)19-6-4-5-7-19)15-20-10-22(26)11-23(17(20)2)29-24(32)21-12-27-18(3)28-13-21/h10-13,16,19H,4-9,14-15H2,1-3H3,(H,29,32)/t16-/m0/s1","","2017-04-28","2017-06-16","~{N}-[5-chloranyl-3-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-2-methyl-phenyl]-2-methyl-pyrimidine-5-carboxamide","2017-06-21"],["NDQ","2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","C12 H19 N4 O8 P2 S","COc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1","","2019-11-26","2020-07-03","2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate","2020-07-08"],["NDR","(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one","C20 H26 O2","C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C;CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34","InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1","","2004-03-24","2011-06-04","(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",""],["98F","9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine","C21 H22 F2 N10 O9 P2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5C=C[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C=CP(=O)(O4)O)OC(C5F)n6cnc7c6ncnc7N)O)F)N","InChI=1S/C21H22F2N10O9P2/c22-10-14-8(39-20(10)32-6-30-12-16(24)26-4-28-18(12)32)1-2-43(34,35)41-15-9(3-38-44(36,37)42-14)40-21(11(15)23)33-7-31-13-17(25)27-5-29-19(13)33/h1-2,4-11,14-15,20-21H,3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/b2-1+/t8-,9-,10-,11-,14-,15-,20-,21-/m1/s1","","2021-11-10","2022-10-14","9-[(1~{R},6~{R},8~{R},9~{R},10~{R},13~{E},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine","2022-10-19"],["NDS","ETHYL DIMETHYL AMMONIO PROPANE SULFONATE","C7 H17 N O3 S","[O-]S(=O)(=O)CCC[N+](C)(CC)C;CC[N+](C)(C)CCC[S]([O-])(=O)=O;CC[N+](C)(C)CCCS(=O)(=O)[O-]","InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3","","2004-06-09","2011-06-04","3-[ethyl(dimethyl)ammonio]propane-1-sulfonate",""],["98G","1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C26 H30 N8 O2","n3cc2c(N(c1nc(C(C)O)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5;C[CH](O)c1cccc(n1)N2N(CC=C)C(=O)c3cnc(Nc4ccc(cc4)N5CCN(C)CC5)nc23;CC(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O","InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m1/s1","","2017-04-09","2018-03-29","1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2018-04-04"],["98H","(5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione","C30 H46 O3","C[CH](CCC=C(C)CO)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CCC(=O)C(C)(C)[CH]4CC3=O;CC(CCC=C(C)CO)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C","InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1","","2017-04-28","2017-06-16","(5~{R},10~{S},13~{R},14~{R},17~{R})-4,4,10,13,14-pentamethyl-17-[(~{E},2~{R})-6-methyl-7-oxidanyl-hept-5-en-2-yl]-2,5,6,11,12,15,16,17-octahydro-1~{H}-cyclopenta[a]phenanthrene-3,7-dione","2017-06-21"],["NDT","2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL","C14 H13 B N2 O3 S","O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3)C;Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B2O;B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O","InChI=1S/C14H13BN2O3S/c1-11-6-8-13(9-7-11)21(19,20)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-10,18H,1H3","","1999-07-08","2011-06-04","2-[(4-methylphenyl)sulfonyl]-2,3,1-benzodiazaborinin-1(2H)-ol",""],["NDU","2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE","C9 H14 N3 O10 P","[O-][N+](=O)C1C(=O)NC(=O)N(C1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C[CH](C(=O)NC2=O)[N+]([O-])=O;C1C(C(OC1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O","InChI=1S/C9H14N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h4-7,13H,1-3H2,(H,10,14,15)(H2,18,19,20)/t4-,5+,6-,7-/m1/s1","","2007-10-27","2024-09-27","2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)",""],["98I","~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide","C49 H59 N7 O7 S","CC(C)c1ccccc1[CH]2CCCN2C3CC4(CCN(CC4)c5ccc(C(=O)N[S](=O)(=O)c6ccc(NC[CH]7CC[C](C)(O)CC7)c(c6)[N](=O)=O)c(Oc8cnc9[nH]ccc9c8)c5)C3;CC(C)c1ccccc1C2CCCN2C3CC4(C3)CCN(CC4)c5ccc(c(c5)Oc6cc7cc[nH]c7nc6)C(=O)NS(=O)(=O)c8ccc(c(c8)N(=O)=O)NCC9CCC(CC9)(C)O","InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33-,43-,48-/m0/s1","","2022-01-11","2024-01-12","~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide","2024-01-17"],["NDV","(2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H21 N3 O4 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=O)O)C","InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14+/m1/s1","","2010-10-07","2011-09-23","(2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["98J","5-HYDROXY-3-OXOPENTANOIC ACID","C5 H8 O4","O=C(O)CC(=O)CCO;OCCC(=O)CC(O)=O;C(CO)C(=O)CC(=O)O","InChI=1S/C5H8O4/c6-2-1-4(7)3-5(8)9/h6H,1-3H2,(H,8,9)","","2011-06-23","2014-09-05","5-hydroxy-3-oxopentanoic acid",""],["98K","2-chloranyl-1~{H}-benzimidazole","C7 H5 Cl N2","Clc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)Cl","InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)","","2017-04-28","2021-06-25","2-chloranyl-1~{H}-benzimidazole","2021-06-30"],["NDW","alpha-NADPH","C21 H30 N7 O17 P3","NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1","[[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2022-01-25","2022-01-28","[[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2022-02-02"],["NDX","[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","C44 H66 N9 O19 P3","CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC(=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN(C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O;CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(CC(C(=O)N4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O)(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C","InChI=1S/C44H66N9O19P3/c1-42(2,3)51-39(59)26-8-7-24-21-6-9-29-44(5,25(21)10-12-43(24,26)4)14-22(38(58)50-29)20-11-13-52(15-23(20)36(46)57)40-33(56)31(54)27(69-40)16-67-74(63,64)72-75(65,66)68-17-28-32(55)34(71-73(60,61)62)41(70-28)53-19-49-30-35(45)47-18-48-37(30)53/h11,13,15,18-22,24-29,31-34,40-41,54-56H,6-10,12,14,16-17H2,1-5H3,(H2,46,57)(H,50,58)(H,51,59)(H,63,64)(H,65,66)(H2,45,47,48)(H2,60,61,62)/t20-,21+,22+,24+,25+,26-,27-,28-,29-,31-,32-,33-,34-,40-,41-,43+,44-/m1/s1","","2020-04-15","2020-07-31","[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2020-08-05"],["98L","3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol","C19 H14 Cl N3 O S","Oc1cccc(c1)CNc1nc(Cl)nc2scc(c12)c1ccccc1;Oc1cccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)c1;c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4cccc(c4)O","InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-5-4-8-14(24)9-12)16-15(11-25-18(16)23-19)13-6-2-1-3-7-13/h1-9,11,24H,10H2,(H,21,22,23)","","2021-10-05","2022-10-07","3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol","2022-10-12"],["NDY","(1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid","C15 H18 O6","O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2;O[CH]1C[C](O)(C=C([CH](O)Cc2ccccc2)[CH]1O)C(O)=O;c1ccc(cc1)CC(C2=CC(CC(C2O)O)(C(=O)O)O)O","InChI=1S/C15H18O6/c16-11(6-9-4-2-1-3-5-9)10-7-15(21,14(19)20)8-12(17)13(10)18/h1-5,7,11-13,16-18,21H,6,8H2,(H,19,20)/t11-,12-,13-,15+/m1/s1","","2013-12-17","2014-09-05","(1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenylethyl]cyclohex-2-ene-1-carboxylic acid","2014-04-16"],["98M","6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C27 H31 Cl N8 O2","c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc5cc(Cl)c(N4CCN(CC4)C)cc5)CC=C)C(O)(C)C;CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2Cl;CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O","InChI=1S/C27H31ClN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32)","RAC-IV-099","2017-04-09","2021-03-01","6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2018-04-04"],["NDZ","(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid","C11 H17 N O8","O=C(O)C(N)CC2(OC1C(OCC(O)C1O)C2)C(=O)O;N[CH](C[C]1(C[CH]2OC[CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O;C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O","InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7+,8-,11+/m0/s1","","2008-05-08","2011-06-04","(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)",""],["98N","(S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide","C27 H35 F3 N4 O3 S","CC[S](=O)(=O)c1ccc(CNC(=O)c2cnc3[CH](C(C)C)N(C[CH]4CC[CH](CC4)C(F)(F)F)Cc3c2)nc1;CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)C(N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C","InChI=1S/C27H35F3N4O3S/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35)/t18-,21-,25-/m0/s1","","2017-04-28","2017-06-16","(7~{S})-~{N}-[(5-ethylsulfonylpyridin-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide","2017-06-21"],["NE0","[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C9 H16 N2 O18 P4","O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C9H16N2O18P4/c12-5-1-2-11(9(14)10-5)8-7(27-30(15,16)17)6(13)4(26-8)3-25-32(21,22)29-33(23,24)28-31(18,19)20/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1","","2023-01-12","2023-06-30","[[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-07-05"],["98O","(2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide","C34 H39 Cl F N5 O4","F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(cc3Cl)C#Cc4ccc(CN5CCOCC5)cc4)N(C2)C(=O)C6CC6;c1cc(ccc1CN2CCOCC2)C#Cc3ccc(c(c3)Cl)C(=O)NCC4CC(CN4C(=O)C5CC5)NC(=O)C6CC(CN6)F","InChI=1S/C34H39ClFN5O4/c35-30-15-23(4-1-22-2-5-24(6-3-22)20-40-11-13-45-14-12-40)7-10-29(30)32(42)38-19-28-17-27(21-41(28)34(44)25-8-9-25)39-33(43)31-16-26(36)18-37-31/h2-3,5-7,10,15,25-28,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t26-,27+,28+,31-/m0/s1","(2S,4S)-N-[(3R,5R)-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2021-11-11","2022-10-28","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-11-02"],["98P","D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide","C21 H26 Cl N4 O2","O=C(NCc1c(Cl)cc[n+](c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3;C[n+]1ccc(Cl)c(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)c1;C[n+]1ccc(c(c1)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N)Cl","InChI=1S/C21H25ClN4O2/c1-25-11-9-17(22)16(14-25)13-24-20(27)19-8-5-10-26(19)21(28)18(23)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,14,18-19H,5,8,10,12-13,23H2,1H3/p+1/t18-,19+/m1/s1","","2011-03-18","2012-03-09","D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide",""],["NE1","2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL","C12 H5 Cl5 O","Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl;Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl;c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl","InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H","","2006-03-07","2011-06-04","2',3,3',4',5-pentachlorobiphenyl-4-ol",""],["98Q","5-methoxy-6-(trifluoromethyl)-1~{H}-indole","C10 H8 F3 N O","COc1cc2cc[nH]c2cc1C(F)(F)F;COc1cc2cc[nH]c2cc1C(F)(F)F","InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3","","2017-04-28","2021-06-25","5-methoxy-6-(trifluoromethyl)-1~{H}-indole","2021-06-30"],["NE2","3,3',4',5-TETRACHLOROBIPHENYL-4-OL","C12 H6 Cl4 O","Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl;Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2;c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl","InChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H","","2006-03-09","2011-06-04","3,3',4',5-tetrachlorobiphenyl-4-ol",""],["NE3","6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile","C20 H20 F N5 O","O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(C#N)nn1;Fc1cc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)ccc1C4CC4;c1cc(c(cc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)F)C4CC4","InChI=1S/C20H20FN5O/c21-18-11-14(1-5-17(18)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-6-4-16(13-22)23-24-19/h1,4-6,11,15H,2-3,7-10,12H2","","2022-04-01","2023-03-24","6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile","2023-03-29"],["98R","[(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate","C39 H72 O5","CCCCCCCC=CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC=CCCCCCCC;CCCCCCCC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CCCCCCCC","InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15?,18-16+/t37-/m0/s1","","2022-01-11","2022-01-28","[(2~{S})-2-[(~{E})-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate","2022-02-02"],["NE4","(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid","C20 H30 O2","C324C(C1(CCCC(C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4;C[C]12CCC[C](C)([CH]1CC[C]34C[CH](CC[CH]23)C(=C)C4)C(O)=O;CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O","InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1","ent-kaurenoic acid","2019-05-14","2023-06-30","(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid","2023-07-05"],["98T","methyl 3-iodanyl-4-oxidanyl-benzoate","C8 H7 I O3","COC(=O)c1ccc(O)c(I)c1;COC(=O)c1ccc(c(c1)I)O","InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3","","2017-04-28","2021-06-25","methyl 3-iodanyl-4-oxidanyl-benzoate","2021-06-30"],["NE5","5-[(2R)-3-benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid","C24 H16 N2 O8","[O-][N+](=O)c1ccc(cc1)C1C(=C(O)C(=O)N1c1ccc(O)c(c1)C(=O)O)C(=O)c1ccccc1;OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+]([O-])=O)C(=C(O)C2=O)C(=O)c4ccccc4;c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O","InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/t20-/m1/s1","","2019-11-26","2026-04-05","5-[(2R)-3-benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid","2020-04-29"],["98U","3-O-acetyl-6-deoxy-alpha-L-galactopyranose","C8 H14 O6","OC1C(OC(=O)C)C(O)C(OC1C)O;C[CH]1O[CH](O)[CH](O)[CH](OC(C)=O)[CH]1O;CC1C(C(C(C(O1)O)O)OC(=O)C)O","InChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1","","2018-02-02","2022-05-13","3-O-acetyl-6-deoxy-alpha-L-galactopyranose","2022-05-18"],["NE6","methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate","C23 H31 N O6","O=C(C(=CC=C(/C)CCC)C)C1C(=O)C=C(OC1=O)C(C)CCCC=NC(=O)OC;CCCC(C)=CC=C(C)C(=O)[CH]1C(=O)OC(=CC1=O)[CH](C)CCCC=NC(=O)OC;CCCC(=CC=C(C)C(=O)C1C(=O)C=C(OC1=O)C(C)CCCC=NC(=O)OC)C","InChI=1S/C23H31NO6/c1-6-9-15(2)11-12-17(4)21(26)20-18(25)14-19(30-22(20)27)16(3)10-7-8-13-24-23(28)29-5/h11-14,16,20H,6-10H2,1-5H3/b15-11+,17-12+,24-13+/t16-,20?/m1/s1","","2008-07-25","2011-06-04","methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate",""],["98W","dimethyl 5-oxidanylbenzene-1,3-dicarboxylate","C10 H10 O5","COC(=O)c1cc(O)cc(c1)C(=O)OC;COC(=O)c1cc(cc(c1)O)C(=O)OC","InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3","","2017-04-28","2021-06-25","dimethyl 5-oxidanylbenzene-1,3-dicarboxylate","2021-06-30"],["NE7","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","C30 H42 N2 O8 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)O)(=O)=O)O;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C30H42N2O8S/c1-4-20(2)17-32(41(36,37)24-12-10-23(11-13-24)21(3)33)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-19-39-29-25(28)14-15-38-29/h5-13,20-21,25-29,33-34H,4,14-19H2,1-3H3,(H,31,35)/t20-,21+,25-,26-,27+,28-,29+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","2019-08-21"],["98X","2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid","C9 H10 O7","O=C(O)C1(OC2C(O1)C=C(C(=O)O)OC2)C;C[C]1(O[CH]2COC(=C[CH]2O1)C(O)=O)C(O)=O;CC1(OC2COC(=CC2O1)C(=O)O)C(=O)O","InChI=1S/C9H10O7/c1-9(8(12)13)15-4-2-5(7(10)11)14-3-6(4)16-9/h2,4,6H,3H2,1H3,(H,10,11)(H,12,13)/t4-,6-,9+/m0/s1","","2018-02-02","2022-05-13","2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid","2022-05-18"],["NE8","6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","C17 H15 N5 O","O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc4)N;NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=O)N1;c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3","InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)","","2004-12-07","2011-06-04","6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["98Z","1~{H}-indole-3-carbonitrile","C9 H6 N2","N#Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C#N","InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H","","2017-04-28","2021-06-25","1~{H}-indole-3-carbonitrile","2021-06-30"],["NE9","2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide","C22 H29 Cl2 N3 O3","ClCC(=O)NC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1;c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C4)NC(=O)CCl)Cl","InChI=1S/C22H29Cl2N3O3/c23-15-19(28)25-18-13-21(14-18)5-9-27(10-6-21)20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,28)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide","2023-09-20"],["990","(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one","C20 H18 F N5 O2","Fc2ccc(c(c1nc(OC)ccc1)c2)C4NC(=O)c3c(nc(nc3C4)N)C;COc1cccc(n1)c2cc(F)ccc2[CH]3Cc4nc(N)nc(C)c4C(=O)N3;Cc1c2c(nc(n1)N)CC(NC2=O)c3ccc(cc3c4cccc(n4)OC)F","InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1","","2014-08-07","2014-11-14","(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one","2014-11-19"],["NEA","5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE","C12 H18 N6 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCN)N;NCCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCN)O)O)N","InChI=1S/C12H18N6O3S/c13-1-2-22-3-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3,13H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1","","2000-11-07","2011-06-04","5'-S-(2-aminoethyl)-5'-thioadenosine",""],["991","2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE","C20 H20 Cl N3 O2","[O-]c4c(OC1CCCC1)cccc4c3cc2cc(c(Cl)cc2n3)C(=[NH2+])N;NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)c3cccc(OC4CCCC4)c3[O-];c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N","InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,24-25H,1-2,4-5H2,(H3,22,23)","CRA_10991","2003-03-14","2021-03-01","2-{5-[amino(iminio)methyl]-6-chloro-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate",""],["NEB","2-DEOXY-D-STREPTAMINE","C6 H15 N2 O3","OC1C(N)CC(C(O)C1O)[NH3+];N[CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1N)O)O)O)[NH3+]","InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1/t2-,3+,4+,5-,6-","","1999-07-08","2012-01-05","(1R,2S,3R,4R,5S)-5-amino-2,3,4-trihydroxycyclohexanaminium",""],["992","5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid","C24 H18 Cl N3 O3","O=C(O)c5cc(Oc4nc3cc(c1cc2c(cc1)n(cc2)C)c(Cl)cc3n4)ccc5C;Cn1ccc2cc(ccc12)c3cc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(O)=O;Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl","InChI=1S/C24H18ClN3O3/c1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2/h3-12H,1-2H3,(H,26,27)(H,29,30)","","2013-11-14","2014-09-05","5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-2-methylbenzoic acid","2013-12-25"],["NEC","N-ETHYL-5'-CARBOXAMIDO ADENOSINE","C12 H16 N6 O4","O=C(NCC)C3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1","","1999-07-08","2011-06-04","(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)",""],["993","3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE","C23 H19 Cl3 N6 O3 S","Clc1ccc(nc1)NC(=O)c2cc(Cl)cc(OC)c2NC(=O)c3scc(c3Cl)Cn4c(ncc4)NC;CNc1nccn1Cc2csc(C(=O)Nc3c(OC)cc(Cl)cc3C(=O)Nc4ccc(Cl)cn4)c2Cl;CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl","InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33)","","2007-04-02","2011-06-04","3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[2-(methylamino)-1H-imidazol-1-yl]methyl}thiophene-2-carboxamide",""],["NED","2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE","C6 H16 N2 O4","OC1C(O)C(OC(O)C1[NH3+])C[NH3+];[NH3+]C[CH]1O[CH](O)[CH]([NH3+])[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)[NH3+])O)O)[NH3+]","InChI=1/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5+,6-/m0/s1/fC6H16N2O4/h7-8H/q+2","","1999-07-08","2008-10-14","2,6-diammonio-2,6-dideoxy-beta-L-idopyranose",""],["994","4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine","C23 H22 N6 O3","n1cnc(nc1c3cccnc3Nc2ccccc2)Nc4cc(OC)c(OC)c(OC)c4;COc1cc(Nc2ncnc(n2)c3cccnc3Nc4ccccc4)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4","InChI=1S/C23H22N6O3/c1-30-18-12-16(13-19(31-2)20(18)32-3)28-23-26-14-25-22(29-23)17-10-7-11-24-21(17)27-15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,27)(H,25,26,28,29)","","2007-07-16","2011-06-04","4-[2-(phenylamino)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine",""],["995","4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE","C20 H36 N6 O3 S","O=C(c1nccs1)C(NC(=O)C(NC(=O)CCC(C)C)C(C)C)CCCNC(N)N;CC(C)CCC(=O)N[CH](C(C)C)C(=O)N[CH](CCCNC(N)N)C(=O)c1sccn1;CC(C)CCC(=O)NC(C(C)C)C(=O)NC(CCCNC(N)N)C(=O)c1nccs1","InChI=1S/C20H36N6O3S/c1-12(2)7-8-15(27)26-16(13(3)4)18(29)25-14(6-5-9-24-20(21)22)17(28)19-23-10-11-30-19/h10-14,16,20,24H,5-9,21-22H2,1-4H3,(H,25,29)(H,26,27)/t14-,16-/m0/s1","","2005-05-18","2024-09-27","N-[(1S)-1-{[(1S)-4-[(diaminomethyl)amino]-1-(1,3-thiazol-2-ylcarbonyl)butyl]carbamoyl}-2-methylpropyl]-4-methylpentanamide",""],["NEE","1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole","C18 H17 Cl N2 O","Clc3c(cc(Oc1cc(ccc1)Cn2ccnc2)cc3C)C;Cc1cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl;Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3","InChI=1S/C18H17ClN2O/c1-13-8-17(9-14(2)18(13)19)22-16-5-3-4-15(10-16)11-21-7-6-20-12-21/h3-10,12H,11H2,1-2H3","","2012-10-04","2013-03-15","1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole","2013-03-20"],["NEF","Nitrocefin - open form","C21 H18 N4 O9 S2","OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O;c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O","InChI=1S/C21H18N4O9S2/c26-16(9-14-2-1-7-35-14)22-18(21(29)30)19-23-17(20(27)28)12(10-36-19)4-3-11-5-6-13(24(31)32)8-15(11)25(33)34/h1-8,18-19,23H,9-10H2,(H,22,26)(H,27,28)(H,29,30)/b4-3+/t18-,19+/m0/s1","(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2018-09-26","2024-09-27","(2~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2019-10-23"],["996","N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide","C26 H40 N4 O2","O=C(NC(Cc1ccccc1)C(O)CNC3c2cn(nc2CC(C3)(C)C)CC(C)(C)C)C;CC(=O)N[CH](Cc1ccccc1)[CH](O)CN[CH]2CC(C)(C)Cc3nn(CC(C)(C)C)cc23;CC(=O)NC(Cc1ccccc1)C(CNC2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O","InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)15-27-22-13-26(5,6)14-23-20(22)16-30(29-23)17-25(2,3)4/h7-11,16,21-22,24,27,32H,12-15,17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1","","2012-05-22","2012-10-26","N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide","2012-10-26"],["NEG","NEGAMYCIN","C9 H20 N4 O4","O=C(O)CN(NC(=O)CC(N)CC(O)CN)C;CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CN;CN(CC(=O)O)NC(=O)CC(CC(CN)O)N","InChI=1S/C9H20N4O4/c1-13(5-9(16)17)12-8(15)3-6(11)2-7(14)4-10/h6-7,14H,2-5,10-11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m1/s1","3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE","2007-06-29","2021-03-13","{2-[(3R,5R)-3,6-diamino-5-hydroxyhexanoyl]-1-methylhydrazino}acetic acid (non-preferred name)",""],["6HM","[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid","C16 H14 O4","c2ccc(c1ccccc1)c(CC(C(O)=O)C(O)=O)c2;OC(=O)C(Cc1ccccc1c2ccccc2)C(O)=O;c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O","InChI=1S/C16H14O4/c17-15(18)14(16(19)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20)","","2016-04-12","2016-11-25","[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid","2016-11-30"],["NEH","ETHANAMINE","C2 H7 N","NCC;CCN;CCN","InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3","","2005-03-17","2024-09-27","ethanamine",""],["6HN","6-nitro-L-norleucine","C6 H12 N2 O4","[O-][N+](=O)CCCCC(N)C(=O)O;N[CH](CCCC[N+]([O-])=O)C(O)=O;C(CC[N+](=O)[O-])CC(C(=O)O)N","InChI=1S/C6H12N2O4/c7-5(6(9)10)3-1-2-4-8(11)12/h5H,1-4,7H2,(H,9,10)/t5-/m0/s1","","2008-11-11","2011-06-04","6-nitro-L-norleucine",""],["6HO","(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone","C11 H10 F N O","c1(cc(ccc1)C(=O)N2CC=CC2)F;Fc1cccc(c1)C(=O)N2CC=CC2;c1cc(cc(c1)F)C(=O)N2CC=CC2","InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2","","2016-04-12","2016-05-20","(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone","2016-05-25"],["NEI","(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE","C12 H15 I N6 O4","Ic1nc(c2ncn(c2n1)C3OC(C(=O)NCC)C(O)C3O)N;CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(I)nc23;CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3N)I)O)O","InChI=1S/C12H15IN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6+,7-,11+/m0/s1","","2006-06-16","2011-06-04","(2S,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)",""],["NEJ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","C30 H42 N2 O8 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)O)(=O)=O)O;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C30H42N2O8S/c1-4-20(2)17-32(41(36,37)24-12-10-23(11-13-24)21(3)33)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-19-39-29-25(28)14-15-38-29/h5-13,20-21,25-29,33-34H,4,14-19H2,1-3H3,(H,31,35)/t20-,21-,25-,26-,27+,28-,29+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","2019-08-21"],["6HP","1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione","C10 H16 N2 O3","CC(COC=1N(C(=O)N(C(C=1)=O)C)C)C;CC(C)COC1=CC(=O)N(C)C(=O)N1C;CC(C)COC1=CC(=O)N(C(=O)N1C)C","InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3","","2016-04-12","2016-05-20","1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione","2016-05-25"],["6HQ","1,5,5-trimethylimidazolidine-2,4-dione","C6 H10 N2 O2","CN1C(=O)NC(=O)C1(C)C;CN1C(=O)NC(=O)C1(C)C;CC1(C(=O)NC(=O)N1C)C","InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)","","2016-04-12","2016-05-20","1,5,5-trimethylimidazolidine-2,4-dione","2016-05-25"],["NEK","3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid","C10 H11 N O4","OC(=O)CCON=Cc1ccc(O)cc1;c1cc(ccc1C=NOCCC(=O)O)O","InChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+","","2019-11-26","2020-12-11","3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid","2020-12-16"],["NEL","2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide","C15 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12;Clc1cccc(CC(=O)Nc2cccc3[nH]ncc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3","InChI=1S/C15H12ClN3O/c16-11-4-1-3-10(7-11)8-15(20)18-13-5-2-6-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide","2023-11-08"],["6HR","3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol","C20 H22 N2 O S","Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C;Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C;Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO","InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22)","","2016-04-12","2016-05-20","3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol","2016-05-25"],["NEM","NE2-METHYLATED HISTIDINE","C7 H11 N3 O2","O=C(O)C(N)Cc1ncn(c1)C;Cn1cnc(C[CH](N)C(O)=O)c1;Cn1cc(nc1)CC(C(=O)O)N","InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H","","1999-07-19","2009-01-07","1-methyl-L-histidine",""],["6HS","(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","C19 H36 N4 O8","O(C2C(O)C(OC1OC(=CCC1N)CO)C(N)CC2N)C3OCC(O)(C(NC)C3O)C;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3OC(=CC[CH]3N)CO)[CH]2O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CO)N)N)N)O","InChI=1S/C19H36N4O8/c1-19(27)7-28-18(13(26)16(19)23-2)31-15-11(22)5-10(21)14(12(15)25)30-17-9(20)4-3-8(6-24)29-17/h3,9-18,23-27H,4-7,20-22H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1","6'-hydroxysisomicin","2012-09-03","2021-03-01","(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","2013-04-03"],["NEN","1-ETHYL-PYRROLIDINE-2,5-DIONE","C6 H9 N O2","O=C1N(C(=O)CC1)CC;CCN1C(=O)CCC1=O;CCN1C(=O)CCC1=O","InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3","","1999-08-17","2024-09-27","1-ethylpyrrolidine-2,5-dione",""],["6HT","1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL","C11 H17 N2 O8 P","O=C1NC(=O)N(C=C1C)C2CC(O)C(OC2)COP(=O)(O)O;CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH](O)C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(OC2)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)7-2-8(14)9(20-4-7)5-21-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8-,9+/m0/s1","","1999-07-23","2011-06-04","1,5-anhydro-2,3-dideoxy-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-arabino-hexitol",""],["NEO","NEOPTERIN","C9 H11 N5 O4","O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO;NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO;c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O","InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1","","1999-07-08","2011-06-04","2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one",""],["6HU","(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol","C23 H30 N4 O3","COC(CO)Cn3ccc(Nc1cc(c(cc1OCCN)C)c2c(cccc2)C)n3;CO[CH](CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)c3ccccc3C)n1;Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)CC(CO)OC","InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)/t18-/m0/s1","","2016-04-12","2016-05-20","(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol","2016-05-25"],["6HV","(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone","C18 H15 N O S","Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C;Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3;Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3","InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3","","2016-04-12","2016-05-20","(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone","2016-05-25"],["NEP","N1-PHOSPHONOHISTIDINE","C6 H10 N3 O5 P","O=P(O)(O)n1cc(nc1)CC(C(=O)O)N;N[CH](Cc1cn(cn1)[P](O)(O)=O)C(O)=O;c1c(ncn1P(=O)(O)O)CC(C(=O)O)N","InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1","","1999-07-26","2024-09-27","1-phosphono-L-histidine",""],["NEQ","N-ETHYLMALEIMIDE","C6 H7 N O2","O=C1C=CC(=O)N1CC;CCN1C(=O)C=CC1=O;CCN1C(=O)C=CC1=O","InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3","","2000-11-28","2024-09-27","1-ethyl-1H-pyrrole-2,5-dione",""],["6HW","N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine","C17 H16 N2 S","Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C;Cc1ccccc1c2cc(Nc3sccn3)ccc2C;Cc1ccccc1c2cc(ccc2C)Nc3nccs3","InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19)","","2016-04-12","2016-05-20","N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine","2016-05-25"],["NER","(15E)-TETRACOS-15-ENOIC ACID","C24 H46 O2","O=C(O)CCCCCCCCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCCCCCCCC(O)=O;CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O","InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-","CIS-15-TETRACOSENOIC ACID","2005-11-16","2021-03-01","(15Z)-tetracos-15-enoic acid",""],["6HX","2'-chloro-6-methyl[1,1'-biphenyl]-3-amine","C13 H12 Cl N","Cc1c(cc(N)cc1)c2ccccc2Cl;Cc1ccc(N)cc1c2ccccc2Cl;Cc1ccc(cc1c2ccccc2Cl)N","InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3","","2016-04-12","2016-05-20","2'-chloro-6-methyl[1,1'-biphenyl]-3-amine","2016-05-25"],["NES","2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID","C6 H15 N O6 S","O=S(=O)(O)CCNC(CO)(CO)CO;OCC(CO)(CO)NCC[S](O)(=O)=O;C(CS(=O)(=O)O)NC(CO)(CO)CO","InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)","","2000-03-27","2011-06-04","2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}ethanesulfonic acid",""],["6HY","4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid","C9 H9 N O4","OC(=O)CCC(=O)C1=CNC(=O)C=C1;C1=CC(=O)NC=C1C(=O)CCC(=O)O","InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)","","2015-12-24","2016-12-16","4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid","2016-12-21"],["NET","TETRAETHYLAMMONIUM ION","C8 H20 N","CC[N+](CC)(CC)CC;CC[N+](CC)(CC)CC;CC[N+](CC)(CC)CC","InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1","","1999-07-08","2011-06-04","N,N,N-triethylethanaminium",""],["6HZ","(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone","C19 H19 N O","Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C;Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3;Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3","InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3","","2016-04-12","2016-05-20","(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone","2016-05-25"],["NEU","L-NEOPTERIN","C9 H11 N5 O4","O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO;NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO;c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O","InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1","2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE","2004-08-20","2020-06-17","2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one",""],["6I0","6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","C22 H23 Cl N4 O4","O=C1COc2ccc(nc2N1)N1CC(CCNCC2Cc3cccc(Cl)c3C2)OC1=O;Clc1cccc2C[CH](CNCC[CH]3CN(C(=O)O3)c4ccc5OCC(=O)Nc5n4)Cc12;c1cc2c(c(c1)Cl)CC(C2)CNCCC3CN(C(=O)O3)c4ccc5c(n4)NC(=O)CO5","InChI=1S/C22H23ClN4O4/c23-17-3-1-2-14-8-13(9-16(14)17)10-24-7-6-15-11-27(22(29)31-15)19-5-4-18-21(25-19)26-20(28)12-30-18/h1-5,13,15,24H,6-12H2,(H,25,26,28)","","2023-04-19","2023-06-23","6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","2023-06-28"],["NEV","NEVIRAPINE","C15 H14 N4 O","O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C;Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12;Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4","InChI=1/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)/f/h18H","","1999-07-08","2008-10-14","11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one",""],["6I1","pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate","C35 H26 N2 O7","CN1C(=O)N(CC(=O)Oc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC(=O)Oc3ccc4ccc5cccc6c5c4c3cc6)C(=O)C7=C(CCCC7=O)O","InChI=1S/C35H26N2O7/c1-18-22(33(41)32-25(38)7-4-8-26(32)39)14-15-24-29(18)34(42)37(35(43)36(24)2)17-28(40)44-27-16-12-21-10-9-19-5-3-6-20-11-13-23(27)31(21)30(19)20/h3,5-6,9-16,38H,4,7-8,17H2,1-2H3","","2021-09-10","2022-09-02","pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate","2022-09-07"],["NEW","3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL","C12 H6 Cl4 O2","Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2;Oc1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2;c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl","InChI=1/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H","","2006-02-24","2008-10-14","3,3',5,5'-tetrachlorobiphenyl-4,4'-diol",""],["6I2","{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid","C46 H43 N3 O6","O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)CNCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O;Cc1ccc2oc(C#Cc3cccc(CNCCN4CCN(CC4)Cc5cccc(c5)C#Cc6oc7ccc(C)cc7c6CC(O)=O)c3)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)CNCCN4CCN(CC4)Cc5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O","InChI=1S/C46H43N3O6/c1-31-9-13-41-37(23-31)39(27-45(50)51)43(54-41)15-11-33-5-3-7-35(25-33)29-47-17-18-48-19-21-49(22-20-48)30-36-8-4-6-34(26-36)12-16-44-40(28-46(52)53)38-24-32(2)10-14-42(38)55-44/h3-10,13-14,23-26,47H,17-22,27-30H2,1-2H3,(H,50,51)(H,52,53)","","2021-08-05","2022-08-05","{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid","2022-08-10"],["6I3","2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide","C20 H22 N4 O4 S","COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)c(OC)c1OC;Cn1c2ccccc2nc1SCC(=O)NN=Cc3ccc(c(c3OC)OC)OC","InChI=1S/C20H22N4O4S/c1-24-15-8-6-5-7-14(15)22-20(24)29-12-17(25)23-21-11-13-9-10-16(26-2)19(28-4)18(13)27-3/h5-11H,12H2,1-4H3,(H,23,25)/b21-11+","","2022-02-15","2022-09-02","2-(1-methylbenzimidazol-2-yl)sulfanyl-~{N}-[(~{E})-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide","2022-09-07"],["NEX","(1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL","C40 H56 O4","OC3CC(C(=C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(C=CC12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3)(C)C;CC(=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C]1C(C)(C)C[CH](O)C[C]1(C)O)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C;CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C","InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1","(3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL; 9'-CIS-NEOXANTHIN","2003-12-22","2020-05-27","(3S,3'S,5R,5'R,6R,6'S,8R,9'cis)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol",""],["6I4","8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole","C15 H14 N2","Cc1ccc2c([nH]c3c(cccc23)C4CC4)n1;Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4","InChI=1S/C15H14N2/c1-9-5-8-13-12-4-2-3-11(10-6-7-10)14(12)17-15(13)16-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)","","2021-09-13","2022-02-11","8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole","2022-02-16"],["NEZ","6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","C18 H17 N5 O","O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc4)C)N;Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1;Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3","InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)","","2004-12-07","2011-06-04","6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["NF","N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE","C31 H30 N4 O4","O=C3c1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]CCN6C(=O)c5cccc4cccc(c45)C6=O;O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56;c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O","InChI=1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2/p+2","LU-79553","1999-09-02","2020-06-17","N,N'-bis[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]propane-1,3-diaminium",""],["6I5","[3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate","C24 H24 N4 O5 S","CC[S](=O)(=O)Oc1ccc(OC)c(c1)c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C;CCS(=O)(=O)Oc1ccc(c(c1)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC","InChI=1S/C24H24N4O5S/c1-5-34(30,31)33-18-6-7-22(32-4)19(10-18)21-14-27-23-20(21)9-16(13-26-23)15-8-17(12-25-11-15)24(29)28(2)3/h6-14H,5H2,1-4H3,(H,26,27)","","2023-02-07","2024-10-18","[3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate","2024-10-23"],["NF0","butyl 3,4,5-tris(oxidanyl)benzoate","C11 H14 O5","CCCCOC(=O)c1cc(O)c(O)c(O)c1;CCCCOC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3","butyl gallate","2023-01-13","2023-11-17","butyl 3,4,5-tris(oxidanyl)benzoate","2023-11-22"],["6I6","aficamten","C18 H19 N5 O2","CCc1onc(n1)c2ccc3[CH](CCc3c2)NC(=O)c4cnn(C)c4;CCc1nc(no1)c2ccc3c(c2)CCC3NC(=O)c4cnn(c4)C","InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1","~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide","2021-07-27","2024-08-30","~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide","2024-09-04"],["NF1","2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","C18 H16 N4 O2 S","O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCc4nnc(s4)C;Cc1sc(CNCCN2C(=O)c3cccc4cccc(C2=O)c34)nn1;Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O","InChI=1S/C18H16N4O2S/c1-11-20-21-15(25-11)10-19-8-9-22-17(23)13-6-2-4-12-5-3-7-14(16(12)13)18(22)24/h2-7,19H,8-10H2,1H3","","2013-12-04","2014-10-31","2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","2014-11-05"],["6I7","5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole","C25 H29 Cl N2 O2","COc1ccccc1n2nc(cc2c3ccc(Cl)cc3)C4CC(C)(C)OC(C)(C)C4;CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C","InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3","","2021-09-14","2021-10-29","5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole","2021-11-03"],["6I9","N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide","C23 H25 N3 O","CC(C)C(=O)Nc1cc2c(nc(cc2N2CCC2)c2ccc(C)cc2)cc1;CC(C)C(=O)Nc1ccc2nc(cc(N3CCC3)c2c1)c4ccc(C)cc4;Cc1ccc(cc1)c2cc(c3cc(ccc3n2)NC(=O)C(C)C)N4CCC4","InChI=1S/C23H25N3O/c1-15(2)23(27)24-18-9-10-20-19(13-18)22(26-11-4-12-26)14-21(25-20)17-7-5-16(3)6-8-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,27)","","2023-04-20","2023-08-25","N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide","2023-08-30"],["NF2","(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL","C12 H15 F2 O7 P","O=P(OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O;Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c(F)cc1F;Cc1cc(c(cc1F)F)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1","","2006-03-07","2011-06-04","(1S)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-ribitol",""],["NF3","(~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid","C6 H8 O4","CCOC(=O)C=CC(O)=O;CCOC(=O)C=CC(=O)O","InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-","","2020-05-22","2020-07-31","(~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid","2020-08-05"],["6IA","N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE","C15 H24 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCC(C)C)C(O)C3O;CC(C)CCNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CC(C)CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C15H24N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h6-9,11-12,15,21-22H,3-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1","","2001-01-19","2011-06-04","N-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate)",""],["NF4","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C31 H44 N2 O8 S","C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(C)O)(=O)=O)CC;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C31H44N2O8S/c1-4-22(5-2)18-33(42(37,38)25-13-11-24(12-14-25)21(3)34)19-28(35)27(17-23-9-7-6-8-10-23)32-31(36)41-29-20-40-30-26(29)15-16-39-30/h6-14,21-22,26-30,34-35H,4-5,15-20H2,1-3H3,(H,32,36)/t21-,26-,27-,28+,29-,30+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6IB","2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine","C32 H45 N3 O3","CNCCc1ccc(OC)c(Cc2cc(CCNC)cc(Cc3cc(CCNC)ccc3OC)c2OC)c1;CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC","InChI=1S/C32H45N3O3/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3","","2021-09-15","2021-11-26","2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine","2021-12-01"],["NF5","4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide","C17 H17 Br N2 O","Brc1ccc(cc1)C(=O)Nc2cc3c(cc2)CCNCC3;Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2;c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br","InChI=1S/C17H17BrN2O/c18-15-4-1-13(2-5-15)17(21)20-16-6-3-12-7-9-19-10-8-14(12)11-16/h1-6,11,19H,7-10H2,(H,20,21)","","2014-05-13","2014-10-03","4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide","2014-10-08"],["6IC","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol","C33 H31 F3 N6 O2","FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccc(F)c(C#C)c21;Oc1cc2ccc(F)c(C#C)c2c(c1)c3ncc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7C[CH]8CC[CH](C7)N8;C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CC(C6)F)N7CC8CCC(C7)N8)F)F","InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1","MRTX-1133","2021-08-05","2021-12-17","4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol","2021-12-22"],["NF6","6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","C20 H21 N5 O2 S","O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4nnc(s4)C;CN(C)c1ccc2C(=O)N(CCNCc3sc(C)nn3)C(=O)c4cccc1c24;Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O","InChI=1S/C20H21N5O2S/c1-12-22-23-17(28-12)11-21-9-10-25-19(26)14-6-4-5-13-16(24(2)3)8-7-15(18(13)14)20(25)27/h4-8,21H,9-11H2,1-3H3","","2013-12-04","2014-10-31","6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","2014-11-05"],["6ID","~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide","C61 H112 N34 O9","NC(=N)NCCC[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2ncnc3[nH]ccc23)C(N)=O;c1c[nH]c2c1c(ncn2)N3CCN(CC3)C(=O)CCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N","InChI=1S/C61H112N34O9/c62-46(98)37(13-6-23-78-55(63)64)88-50(100)39(15-8-25-80-57(67)68)90-52(102)41(17-10-27-82-59(71)72)92-54(104)43(19-12-29-84-61(75)76)93-53(103)42(18-11-28-83-60(73)74)91-51(101)40(16-9-26-81-58(69)70)89-49(99)38(14-7-24-79-56(65)66)87-44(96)20-4-2-1-3-5-21-45(97)94-31-33-95(34-32-94)48-36-22-30-77-47(36)85-35-86-48/h22,30,35,37-43H,1-21,23-29,31-34H2,(H2,62,98)(H,87,96)(H,88,100)(H,89,99)(H,90,102)(H,91,101)(H,92,104)(H,93,103)(H4,63,64,78)(H4,65,66,79)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H,77,85,86)/t37-,38-,39-,40-,41-,42-,43-/m1/s1","","2021-07-27","2021-07-30","~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide","2021-08-04"],["NF7","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C29 H40 N2 O9 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)C)S(c4ccc(cc4)C(CO)O)(=O)=O)O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](O)CO;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O","InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(36,37)22-10-8-21(9-11-22)26(34)17-32)16-25(33)24(14-20-6-4-3-5-7-20)30-29(35)40-27-18-39-28-23(27)12-13-38-28/h3-11,19,23-28,32-34H,12-18H2,1-2H3,(H,30,35)/t23-,24-,25+,26-,27-,28+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6IF","methyl 7-chloro-6,7,8-trideoxy-6-{[(4S,5aS,8S,8aR)-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside","C22 H39 Cl N2 O6 S","OC1C(O)C(O)C(OC1SC)C(NC(=O)C1NCC2CC(CC(C)C)CCOC21)C(C)Cl;CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](NC(=O)[CH]2NC[CH]3C[CH](CCO[CH]23)CC(C)C)[CH](C)Cl;CC(C)CC1CCOC2C(C1)CNC2C(=O)NC(C3C(C(C(C(O3)SC)O)O)O)C(C)Cl","InChI=1S/C22H39ClN2O6S/c1-10(2)7-12-5-6-30-19-13(8-12)9-24-15(19)21(29)25-14(11(3)23)20-17(27)16(26)18(28)22(31-20)32-4/h10-20,22,24,26-28H,5-9H2,1-4H3,(H,25,29)/t11-,12-,13-,14+,15-,16-,17+,18+,19+,20+,22+/m0/s1","","2021-08-06","2021-10-08","methyl 7-chloro-6,7,8-trideoxy-6-{[(4S,5aS,8S,8aR)-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside","2021-10-13"],["NF8","(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol","C6 H11 F O4","OC[CH]1OC[CH](F)[CH](O)[CH]1O;C1C(C(C(C(O1)CO)O)O)F","InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1","","2019-11-27","2024-09-27","(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol","2020-06-10"],["6IG","6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE","C27 H35 N5 O","n3c(c(c1ccc2c(c1)N(CCC2)CCCOC)c(nc3N)NCCc4ccccc4)CC;CCc1nc(N)nc(NCCc2ccccc2)c1c3ccc4CCCN(CCCOC)c4c3;CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC","InChI=1S/C27H35N5O/c1-3-23-25(26(31-27(28)30-23)29-15-14-20-9-5-4-6-10-20)22-13-12-21-11-7-16-32(24(21)19-22)17-8-18-33-2/h4-6,9-10,12-13,19H,3,7-8,11,14-18H2,1-2H3,(H3,28,29,30,31)","","2006-02-27","2011-06-04","6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-N~4~-(2-phenylethyl)pyrimidine-2,4-diamine",""],["6IH","4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine","C23 H30 N7 O9 S","COc1cc(C[S+](CC[CH](N)C(O)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)c(cc1OC)[N+]([O-])=O;COc1cc(c(cc1OC)[N+](=O)[O-])C[S+](CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C23H29N7O9S/c1-37-14-5-11(13(30(35)36)6-15(14)38-2)7-40(4-3-12(24)23(33)34)8-16-18(31)19(32)22(39-16)29-10-28-17-20(25)26-9-27-21(17)29/h5-6,9-10,12,16,18-19,22,31-32H,3-4,7-8,24H2,1-2H3,(H2-,25,26,27,33,34)/p+1/t12-,16-,18-,19-,22-,40-/m1/s1","","2021-07-28","2021-11-12","[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{R})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(4,5-dimethoxy-2-nitro-phenyl)methyl]sulfanium","2021-11-17"],["NF9","2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide","C21 H29 Cl2 N3 O3","ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl","InChI=1S/C21H29Cl2N3O3/c22-15-19(27)24-10-5-16-6-11-26(12-7-16)20(28)21(8-13-29-14-9-21)25-18-3-1-17(23)2-4-18/h1-4,16,25H,5-15H2,(H,24,27)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide","2023-09-20"],["NFA","PHENYLALANINE AMIDE","C9 H12 N2 O","O=C(N)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(N)=O;c1ccc(cc1)CC(C(=O)N)N","InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1","","1999-07-08","2025-07-07","L-phenylalaninamide",""],["6II","beta-D-glucopyranosyl 1,3,4-trisphosphate","C6 H15 O15 P3","OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H15O15P3/c7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6+/m1/s1","[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate","2023-07-12","2024-02-23","[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate","2024-02-28"],["NFB","NI-FE ACTIVE CENTER B-FORM","C3 H2 Fe N Ni O3","[Ni]O[Fe](C=O)(C=O)C#N;C(=O)[Fe](C=O)(C#N)O[Ni]","InChI=1/CN.2CHO.Fe.Ni.O/c3*1-2;;;/h;2*1H;;;/rC3H2FeNNiO3/c5-1-4(2-7,3-8)9-6/h2-3H","","2004-12-17","2008-10-14","(cyano-dimethanoyl-ferrio)oxynickel",""],["6IK","4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","C34 H42 N6 O2","O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)[CH]5C7CC7)cc4;c1ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5C7CC7)CCC6)O","InChI=1S/C34H42N6O2/c41-32(28-10-8-26(9-11-28)20-40-22-33(14-4-15-33)31(40)27-12-13-27)36-21-34(42)16-5-17-39(23-34)30-18-29(37-24-38-30)35-19-25-6-2-1-3-7-25/h1-3,6-11,18,24,27,31,42H,4-5,12-17,19-23H2,(H,36,41)(H,35,37,38)/t31-,34-/m0/s1","","2021-07-28","2021-10-15","4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{S})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["6IL","~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide","C23 H20 F N5 O S2","Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6;c1c2c(ncnc2sc1C3=CCC(CC3)NC(=O)C4CC4)Nc5cc6c(cc5F)scn6","InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1","","2023-02-09","2024-11-08","~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide","2024-11-13"],["NFC","NI-FE ACTIVE CENTER A-FORM","C3 H2 Fe N Ni O4","[Ni][O](=O)[Fe](C=O)(C=O)C#N;C(=O)[Fe](C=O)(C#N)O(=O)[Ni]","InChI=1S/CN.2CHO.Fe.Ni.O2/c3*1-2;;;1-2/h;2*1H;;;","","2004-12-17","2023-09-23","cyano-dimethanoyl-[nickelio(oxidanylidene)-$l^{4}-oxidanyl]iron",""],["6IM","acetylamino coenzyme A","C23 H39 N8 O17 P3","CC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O;CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C23H39N8O17P3/c1-12(32)25-6-7-26-14(33)4-5-27-21(36)18(35)23(2,3)9-45-51(42,43)48-50(40,41)44-8-13-17(47-49(37,38)39)16(34)22(46-13)31-11-30-15-19(24)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H,25,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,24,28,29)(H2,37,38,39)/t13-,16-,17-,18+,22-/m1/s1","(3R)-4-({3-[(2-acetamidoethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-08-09","2025-08-29","(3R)-4-({3-[(2-acetamidoethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2025-09-03"],["NFD","Nicotinamide 2-fluoro-adenine dinucleotide","C21 H26 F N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)nc(F)nc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N","InChI=1S/C21H26FN7O14P2/c22-21-26-16(23)11-18(27-21)29(7-25-11)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,26,27,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1","2-fluoro-NAD+","2009-07-14","2020-06-17","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-azanyl-2-fluoro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["NFE","NI-FE ACTIVE CENTER","C2 H Fe Ni O3 S2","OS[Fe](S[Ni])(=C=O)=C=O;C(=O)=[Fe](=C=O)(SO)S[Ni]","InChI=1S/2CO.Fe.Ni.H2OS.S/c2*1-2;;;1-2;/h;;;;1-2H;/q;;+1;;;/p-1","","1999-07-08","2011-06-04","(hydroxysulfanyl-bis(oxomethylidene)ferrio)sulfanylnickel",""],["6IN","4-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID","C22 H24 N2 O4","O=C(O)CCCOc1cc2c(cc1)n(c(c2CC(=O)N)C)Cc3ccccc3;Cc1n(Cc2ccccc2)c3ccc(OCCCC(O)=O)cc3c1CC(N)=O;Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N","InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)","","1999-11-04","2011-06-04","4-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-methyl-1H-indol-5-yl]oxy}butanoic acid",""],["NFF","(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic\nacid","C21 H24 N2 O5 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c2ccccc2ccc3OCC;CCOc1ccc2ccccc2c1C(=O)N[CH](C=O)[CH]3N[CH](C(O)=O)C(C)(C)S3;CCOc1ccc2ccccc2c1C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O","InChI=1S/C21H24N2O5S/c1-4-28-15-10-9-12-7-5-6-8-13(12)16(15)18(25)22-14(11-24)19-23-17(20(26)27)21(2,3)29-19/h5-11,14,17,19,23H,4H2,1-3H3,(H,22,25)(H,26,27)/t14-,17+,19-/m1/s1","Nafcillin, bound form","2010-06-28","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["6IO","~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine","C16 H16 F6 N6","FC(F)(F)c1nccc(N[CH]2CC[CH](CC2)Nc3ccnc(n3)C(F)(F)F)n1;c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F","InChI=1S/C16H16F6N6/c17-15(18,19)13-23-7-5-11(27-13)25-9-1-2-10(4-3-9)26-12-6-8-24-14(28-12)16(20,21)22/h5-10H,1-4H2,(H,23,25,27)(H,24,26,28)/t9-,10+","","2021-08-02","2021-11-12","~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine","2021-11-17"],["NFG","2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside","C12 H13 F N2 O9","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2;OC[CH]1O[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)F","InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1","2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside; 2,4-dinitrophenyl 2-deoxy-2-fluoro-D-glucoside; 2,4-dinitrophenyl\n2-deoxy-2-fluoro-glucoside","2000-07-07","2020-07-17","2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside",""],["6IP","6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE","C15 H15 N3","n1c(N)cccc1CCc2ccc3c(c2)ncc3;Nc1cccc(CCc2ccc3cc[nH]c3c2)n1;c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2","InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)","","2007-01-12","2011-06-04","6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine",""],["NFH","N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide","C15 H29 N3 O4","O=CN(O)CC(C(=O)NC(C(=O)NC)C(C)(C)C)CC(C)C;CNC(=O)[CH](NC(=O)[CH](CC(C)C)CN(O)C=O)C(C)(C)C;CC(C)CC(CN(C=O)O)C(=O)NC(C(=O)NC)C(C)(C)C","InChI=1S/C15H29N3O4/c1-10(2)7-11(8-18(22)9-19)13(20)17-12(14(21)16-6)15(3,4)5/h9-12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)/t11-,12-/m1/s1","","2011-01-21","2011-07-13","N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide",""],["6IQ","1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole","C13 H8 Cl2 N2 O2 S","Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23;c1ccc2c(c1)ncn2S(=O)(=O)c3cc(ccc3Cl)Cl","InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H","","2022-02-15","2022-10-14","1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole","2022-10-19"],["6IR","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide","C18 H27 N5 O4 S2","NCCN[S](=O)(=O)c1ccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)cc1;c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)NCCN","InChI=1S/C18H27N5O4S2/c19-9-10-20-29(26,27)13-7-5-12(6-8-13)21-16(24)4-2-1-3-15-17-14(11-28-15)22-18(25)23-17/h5-8,14-15,17,20H,1-4,9-11,19H2,(H,21,24)(H2,22,23,25)/t14-,15-,17-/m0/s1","","2017-10-24","2017-12-29","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide","2018-01-03"],["NFI","3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid","C20 H17 N O5","Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc12)C(O)=O;Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccccc3","InChI=1S/C20H17NO5/c1-12-15-11-14(7-9-17(15)26-19(12)20(24)25)21-18(23)10-8-16(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H,24,25)","","2023-01-14","2023-10-06","3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid","2023-10-11"],["NFJ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C31 H44 N2 O8 S","C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(C)O)(=O)=O)CC;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C31H44N2O8S/c1-4-22(5-2)18-33(42(37,38)25-13-11-24(12-14-25)21(3)34)19-28(35)27(17-23-9-7-6-8-10-23)32-31(36)41-29-20-40-30-26(29)15-16-39-30/h6-14,21-22,26-30,34-35H,4-5,15-20H2,1-3H3,(H,32,36)/t21-,26+,27+,28-,29+,30-/m1/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6IT","~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine","C16 H16 Cl F3 N8","FC(F)(F)c1nccc(N[CH]2CC[CH](CC2)Nc3ccc4nnc(Cl)n4n3)n1;c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl","InChI=1S/C16H16ClF3N8/c17-15-26-25-13-6-5-12(27-28(13)15)23-10-3-1-9(2-4-10)22-11-7-8-21-14(24-11)16(18,19)20/h5-10H,1-4H2,(H,23,27)(H,21,22,24)/t9-,10+","","2021-08-02","2021-11-12","~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine","2021-11-17"],["NFK","N'-Formylkynurenine","C11 H12 N2 O4","O=C(O)C(CC(c1ccccc1NC=O)=O)N;N[CH](CC(=O)c1ccccc1NC=O)C(O)=O;c1ccc(c(c1)C(=O)CC(C(=O)O)N)NC=O","InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1","(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid","2016-10-04","2024-09-27","(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid","2016-10-26"],["6IU","N-(2-acetamidoethyl)-2-nitro-ethanamide","C6 H11 N3 O4","CC(=O)NCCNC(=O)C[N+]([O-])=O;CC(=O)NCCNC(=O)C[N+](=O)[O-]","InChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11)","","2021-09-17","2022-01-07","~{N}-(2-acetamidoethyl)-2-nitro-ethanamide","2022-01-12"],["6IV","2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside","C17 H20 N4 O9 S","OC1C(O)C(O)C(CO)OC1OCCc1cn(nn1)c1ccc2c(c1)S(=O)(=O)NC2=O;OC[CH]1O[CH](OCCc2cn(nn2)c3ccc4C(=O)N[S](=O)(=O)c4c3)[CH](O)[CH](O)[CH]1O;c1cc2c(cc1n3cc(nn3)CCOC4C(C(C(C(O4)CO)O)O)O)S(=O)(=O)NC2=O","InChI=1S/C17H20N4O9S/c22-7-11-13(23)14(24)15(25)17(30-11)29-4-3-8-6-21(20-18-8)9-1-2-10-12(5-9)31(27,28)19-16(10)26/h1-2,5-6,11,13-15,17,22-25H,3-4,7H2,(H,19,26)/t11-,13+,14-,15-,17-/m0/s1","","2021-08-10","2022-08-19","2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside","2022-08-24"],["NFL","2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID","C13 H9 F3 N2 O2","FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O;OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F;c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F","InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)","2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID","2004-05-26","2021-03-01","2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid",""],["NFM","N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide","C7 H10 N4 O","O=CNCc1cnc(nc1N)C;Cc1ncc(CNC=O)c(N)n1;Cc1ncc(c(n1)N)CNC=O","InChI=1S/C7H10N4O/c1-5-10-3-6(2-9-4-12)7(8)11-5/h3-4H,2H2,1H3,(H,9,12)(H2,8,10,11)","","2009-09-04","2011-06-04","N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide",""],["6IW","(2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid","C6 H11 N O3","CN1C[CH](O)C[CH]1C(O)=O;CN1CC(CC1C(=O)O)O","InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1","","2023-02-16","2024-03-22","(2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid","2024-03-27"],["NFN","6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE","C21 H21 N2 O5 S","O=C([O-])C3N4C(=O)C(NC(=O)c2c1ccccc1ccc2OCC)C4SC3(C)C;CCOc1ccc2ccccc2c1C(=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C([O-])=O;CCOc1ccc2ccccc2c1C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]","InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/p-1/t15-,16+,19-/m1/s1","","2004-10-08","2011-06-04","(2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",""],["6IX","(2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide","C38 H53 N3 O3","CC(C)C[CH](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[CH](Cc2ccc(OCc3ccccc3)cc2)C(=O)NC(C)(C)C;CC(C)CC(C(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C","InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1","","2021-09-21","2021-10-29","(2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide","2021-11-03"],["6IY","(10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate","C28 H56 N O8 P","NCCOP(OCC(COC(=O)CCCCCC)OC(CCCCCCCCCCCCCCC)=O)(=O)O;CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)OCCN","InChI=1S/C28H56NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-28(31)37-26(25-36-38(32,33)35-23-22-29)24-34-27(30)20-18-8-6-4-2/h26H,3-25,29H2,1-2H3,(H,32,33)/t26-/m1/s1","","2020-12-17","2021-09-17","(10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate","2021-09-22"],["NFO","NI-FE OXIDIZED ACTIVE CENTER","C3 H2 Fe N Ni O3","[Ni]O[Fe](C=O)(C=O)C#N;C(=O)[Fe](C=O)(C#N)O[Ni]","InChI=1S/CN.2CHO.Fe.Ni.O/c3*1-2;;;/h;2*1H;;;","","2004-12-17","2011-06-04","(cyano-dimethanoyl-ferrio)oxynickel",""],["NFP","(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine","C17 H19 N O2 S","O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2;N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2;c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccccc2)N","InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1","","1999-07-08","2011-06-04","(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine",""],["6IZ","3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide","C23 H18 F N3 O2","O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1nc2ccccc2[NH]1;Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4[nH]c5ccccc5n4)cc1;c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C4(COC4)C(=O)Nc5ccc(cc5)F","InChI=1S/C23H18FN3O2/c24-17-9-11-18(12-10-17)25-22(28)23(13-29-14-23)16-7-5-15(6-8-16)21-26-19-3-1-2-4-20(19)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27)","","2021-08-10","2022-08-19","3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide","2022-08-24"],["NFQ","N-[(E)-iminomethyl]-L-aspartic acid","C5 H8 N2 O4","O=C(O)C(NC=[N@H])CC(=O)O;OC(=O)C[CH](NC=N)C(O)=O;C(C(C(=O)O)NC=N)C(=O)O","InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1","N-formimino-L-Aspartate","2010-04-12","2020-06-17","N-[(E)-iminomethyl]-L-aspartic acid",""],["6J0","N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine","C17 H19 F N6","Fc1cccc(c1)CCNCCNc2nc(ncc2)n3ccnc3;Fc1cccc(CCNCCNc2ccnc(n2)n3ccnc3)c1;c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3","InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)","(N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine","2014-10-21","2020-06-17","N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine","2014-12-24"],["NFR","NI-FE REDUCED ACTIVE CENTER","C3 H2 Fe N Ni O2","N#C[Fe]([Ni])(C=O)C=O;[Ni]|[Fe](C=O)(C=O)C#N;C(=O)[Fe](C=O)(C#N)[Ni]","InChI=1S/CN.2CHO.Fe.Ni/c3*1-2;;/h;2*1H;;","","2004-12-17","2011-06-04","diformyl(hydrocyanato-1kappaC)ironnickel(Fe-Ni)",""],["6J1","2,6-Dinitro-p-cresol","C7 H6 N2 O5","Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O;Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3","","2016-05-25","2016-09-30","4-methyl-2,6-dinitro-phenol","2016-10-05"],["NFS","FE(4)-NI(1)-S(5) CLUSTER","Fe4 Ni S5","[Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1;S1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51","InChI=1S/4Fe.Ni.5S","","2001-07-31","2023-09-23","",""],["6J2","COENZYME F420-0","C19 H22 N3 O12 P","C(=O)(O)C(C)OP(O)(=O)OCC(C(C(O)CN2c1cc(O)ccc1C=C3C2=NC(NC3=O)=O)O)O;C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(O)=O;CC(C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O","InChI=1S/C19H22N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,8,13-15,23-26H,6-7H2,1H3,(H,28,29)(H,31,32)(H,21,27,30)/t8-,13-,14+,15-/m0/s1","","2016-04-12","2016-07-08","5-O-[(S)-[(1S)-1-carboxyethoxy](hydroxy)phosphoryl]-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol","2016-07-13"],["6J3","2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid","C13 H11 Cl N2 O2","Cc1c(Cl)cccc1Nc2ncccc2C(O)=O;Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O","InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)","","2016-05-25","2016-09-30","2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid","2016-10-05"],["NFT","N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE","C22 H29 F3 N4 O3 S","O=S(=O)(N)c2ccc(c1ccc(cc1)C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2;CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](N)(=O)=O)C(F)(F)F)C(=O)NCCN;CC(C)CC(C(=O)NCCN)NC(c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F","InChI=1S/C22H29F3N4O3S/c1-14(2)13-19(21(30)28-12-11-26)29-20(22(23,24)25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)33(27,31)32/h3-10,14,19-20,29H,11-13,26H2,1-2H3,(H,28,30)(H2,27,31,32)/t19-,20-/m0/s1","","2007-03-21","2024-09-27","N-(2-aminoethyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoylbiphenyl-4-yl)ethyl]-L-leucinamide",""],["6J4","COENZYME F420-3","C34 H43 N6 O21 P","C(=O)(C(C)OP(O)(=O)OCC(C(C(O)CN2c1cc(O)ccc1C=C3C2=NC(NC3=O)=O)O)O)NC(C(O)=O)CCC(=O)NC(C(=O)O)CCC(NC(CCC(=O)O)C(=O)O)=O;C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O","InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1","","2016-04-12","2016-07-08","(3S,8S,13S,16S,18S,21R,22S,23S)-18,21,22,23-tetrahydroxy-24-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-16-methyl-5,10,15-trioxo-17,19-dioxa-4,9,14-triaza-18-phosphatetracosane-1,3,8,13-tetracarboxylic acid 18-oxide (non-preferred name)","2016-07-13"],["NFU","formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)","C3 H Fe N2 Ni O","N#C[Fe]([Ni])(C#N)C=O;[Ni]|[Fe](C=O)(C#N)C#N;C(=O)[Fe](C#N)(C#N)[Ni]","InChI=1S/2CN.CHO.Fe.Ni/c3*1-2;;/h;;1H;;","NI-FE REDUCED ACTIVE CENTER","2011-04-13","2021-03-01","formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)",""],["NFV","NI-FE OXIDIZED ACTIVE CENTER","C3 Fe N2 Ni O2","[Ni]O[Fe](|[C-]#[O+])(C#N)C#N;C(#N)[Fe](C#N)(C#O)O[Ni]","InChI=1S/2CN.CO.Fe.Ni.O/c3*1-2;;;","","2010-07-14","2011-06-04","",""],["6J5","5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole","C8 H7 Cl N4 O","Clc1ccccc1OCc2[nH]nnn2;c1ccc(c(c1)OCc2[nH]nnn2)Cl","InChI=1S/C8H7ClN4O/c9-6-3-1-2-4-7(6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)","","2015-10-29","2016-02-26","5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole","2016-03-02"],["NFW","(2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C27 H28 N2 O8","O=C(NCc1occc1)c2ccccc2CN(Cc4ccc3OC(CCC(=O)O)COc3c4C(=O)O)C;CN(Cc1ccccc1C(=O)NCc2occc2)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C27H28N2O8/c1-29(14-17-5-2-3-7-21(17)26(32)28-13-19-6-4-12-35-19)15-18-8-10-22-25(24(18)27(33)34)36-16-20(37-22)9-11-23(30)31/h2-8,10,12,20H,9,11,13-16H2,1H3,(H,28,32)(H,30,31)(H,33,34)/t20-/m0/s1","","2013-11-11","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(furan-2-ylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["6J6","(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one","C15 H12 O5","Oc1ccc2O[CH](CC(=O)c2c1)c3ccc(O)c(O)c3;c1cc(c(cc1C2CC(=O)c3cc(ccc3O2)O)O)O","InChI=1S/C15H12O5/c16-9-2-4-14-10(6-9)12(18)7-15(20-14)8-1-3-11(17)13(19)5-8/h1-6,15-17,19H,7H2/t15-/m1/s1","","2016-05-25","2017-04-28","(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one","2017-05-03"],["NFX","7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C17 H17 Cl F N3 O3","Fc2c(c(Cl)c1N(C=C(C(=O)O)C(=O)c1c2)C3CC3)N4CCC(N)C4;N[CH]1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2Cl)C(O)=O;c1c2c(c(c(c1F)N3CCC(C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4","InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)/t8-/m1/s1","Clinafloxacin","2009-01-06","2020-06-17","7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",""],["6J7","2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one","C10 H11 Br N5 O7 P","Brc2nc1C(=O)NC(=Nc1n2C3C(O)C4C(O3)COP(O4)(=O)O)N;NC1=Nc2n([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c(Br)nc2C(=O)N1;C1C2C(C(C(O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O","InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1","","2016-04-13","2017-04-14","2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one","2017-04-19"],["NFZ","NITROFURAZONE","C6 H6 N4 O4","O=[N+]([O-])c1oc(/C=N/NC(=O)N)cc1;NC(=O)NN=Cc1oc(cc1)[N+]([O-])=O;c1cc(oc1C=NNC(=O)N)[N+](=O)[O-]","InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+","5-NITRO-2-FURALDEHYDE SEMICARBAZONE","2005-01-27","2020-06-17","5-nitrofuran-2-carbaldehyde semicarbazone",""],["6J8","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid","C15 H24 N O6 P","C(C(CC(=O)N(C)O)CCCc1ccc(OC)cc1)P(O)(O)=O;COc1ccc(CCC[CH](CC(=O)N(C)O)C[P](O)(O)=O)cc1;CN(C(=O)CC(CCCc1ccc(cc1)OC)CP(=O)(O)O)O","InChI=1S/C15H24NO6P/c1-16(18)15(17)10-13(11-23(19,20)21)5-3-4-12-6-8-14(22-2)9-7-12/h6-9,13,18H,3-5,10-11H2,1-2H3,(H2,19,20,21)/t13-/m1/s1","","2016-04-14","2016-08-18","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid","2016-08-23"],["NG0","N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine","C25 H32 N2 O4","O=C(O)CNC(=O)C(Cc1ccccc1)CN1CCC(C)(C(C)C1)c1cccc(O)c1;C[CH]1CN(CC[C]1(C)c2cccc(O)c2)C[CH](Cc3ccccc3)C(=O)NCC(O)=O;CC1CN(CCC1(C)c2cccc(c2)O)CC(Cc3ccccc3)C(=O)NCC(=O)O","InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1","Alvimopan","2022-04-04","2022-10-25","N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine","2022-06-29"],["6J9","4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine","C10 H13 N5","c2(c1c(ncc1)ncn2)N3CCNCC3;C1CN(CCN1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCNCC3","InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)","","2016-04-14","2024-09-27","4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine","2016-07-20"],["NG1","2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose","C8 H16 N O9 P","O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O","InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1","N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE; N-acetyl-1-O-phosphono-alpha-D-galactosamine;\n2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactose; 2-acetamido-2-deoxy-1-O-phosphono-D-galactose;\n2-acetamido-2-deoxy-1-O-phosphono-galactose","2005-06-27","2020-07-17","2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose",""],["6JA","2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate","C9 H11 N3 O3 Se","CCC1(CC[Se]C#N)C(=O)NC(=O)NC1=O;CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N","InChI=1S/C9H11N3O3Se/c1-2-9(3-4-16-5-10)6(13)11-8(15)12-7(9)14/h2-4H2,1H3,(H2,11,12,13,14,15)","","2016-05-25","2016-12-16","2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate","2016-12-21"],["NG2","N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide","C29 H30 F3 N5 O2","FC(F)(F)c4cc(NC(=O)c3ccc(c(Oc2ccnc1nccc12)c3)C)ccc4CN5CCN(CC)CC5;CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F;CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C","InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)","","2014-01-08","2014-07-25","N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide","2014-07-30"],["6JB","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid","C15 H24 N O6 P","C(P(O)(=O)O)C(CC(=O)N(C)O)CCCc1cc(OC)ccc1;COc1cccc(CCC[CH](CC(=O)N(C)O)C[P](O)(O)=O)c1;CN(C(=O)CC(CCCc1cccc(c1)OC)CP(=O)(O)O)O","InChI=1S/C15H24NO6P/c1-16(18)15(17)10-13(11-23(19,20)21)7-3-5-12-6-4-8-14(9-12)22-2/h4,6,8-9,13,18H,3,5,7,10-11H2,1-2H3,(H2,19,20,21)/t13-/m1/s1","","2016-04-14","2016-08-18","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid","2016-08-23"],["NG3","3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)","C10 H17 N6 O12 P3","C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3;N[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N","InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1","3'-amino-dGTP","2019-10-25","2021-03-01","3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)","2020-03-18"],["6JC","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","C12 H11 N3 O","c1(cc2ccnc2nc1)c3c(noc3C)C;Cc1onc(C)c1c2cnc3[nH]ccc3c2;Cc1c(c(on1)C)c2cc3cc[nH]c3nc2","InChI=1S/C12H11N3O/c1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-6H,1-2H3,(H,13,14)","","2016-04-14","2018-07-27","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","2018-08-01"],["NG4","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C29 H40 N2 O9 S","CC(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(CO)O)(=O)=O)C;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](O)CO;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O","InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(36,37)22-10-8-21(9-11-22)26(34)17-32)16-25(33)24(14-20-6-4-3-5-7-20)30-29(35)40-27-18-39-28-23(27)12-13-38-28/h3-11,19,23-28,32-34H,12-18H2,1-2H3,(H,30,35)/t23-,24-,25+,26+,27-,28+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6JD","4-(4-hydroxyphenyl)sulfonylphenol","C12 H10 O4 S","Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2;c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O","InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H","","2016-05-26","2016-10-07","4-(4-hydroxyphenyl)sulfonylphenol","2016-10-12"],["NG5","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide","C28 H24 F N7 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F;CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6","InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-","","2019-11-29","2020-07-03","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide","2020-07-08"],["6JE","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide","C25 H22 Cl N5 O2 S","Cc4nnc5C(CC(=O)Nc1ccc(O)cc1)N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n45;Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(O)cc4)N=C(c5ccc(Cl)cc5)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C","InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1","","2016-04-14","2018-07-27","2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide","2018-08-01"],["NG6","2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose","C8 H15 N O9 S","O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O","InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1","N-ACETYL-D-GALACTOSAMINE 6-SULFATE; N-acetyl-6-O-sulfo-beta-D-galactosamine;\n2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactose; 2-acetamido-2-deoxy-6-O-sulfo-D-galactose;\n2-acetamido-2-deoxy-6-O-sulfo-galactose","2000-12-12","2020-07-17","2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose",""],["6JF","4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid","C26 H22 N4 O3","c1(C)onc(C)c1c5cnc3c(n(C(c2ccccn2)C)cc3c4ccc(cc4)C(O)=O)c5;C[CH](n1cc(c2ccc(cc2)C(O)=O)c3ncc(cc13)c4c(C)onc4C)c5ccccn5;Cc1c(c(on1)C)c2cc3c(c(cn3C(C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2","InChI=1S/C26H22N4O3/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22/h4-14,16H,1-3H3,(H,31,32)/t16-/m0/s1","","2016-04-14","2018-07-27","4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid","2018-08-01"],["6JG","N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide","C20 H15 N3 O2 S","c1cc(ccc1Oc2ccccc2c4nc3ccncc3s4)NC(=O)C;CC(=O)Nc1ccc(Oc2ccccc2c3sc4cnccc4n3)cc1;CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3","InChI=1S/C20H15N3O2S/c1-13(24)22-14-6-8-15(9-7-14)25-18-5-3-2-4-16(18)20-23-17-10-11-21-12-19(17)26-20/h2-12H,1H3,(H,22,24)","","2016-04-14","2016-07-15","N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide","2016-07-20"],["NG7","3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet\nhyl)phenyl}benzamide","C31 H31 F3 N6 O2 S","FC(F)(F)c1cc(ccc1CN2CCN(CC)CC2)NC(=O)c6cc(c3nc4sc(nc4cc3)NC(=O)C5CC5)ccc6;CCN1CCN(CC1)Cc2ccc(NC(=O)c3cccc(c3)c4ccc5nc(NC(=O)C6CC6)sc5n4)cc2C(F)(F)F;CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6","InChI=1S/C31H31F3N6O2S/c1-2-39-12-14-40(15-13-39)18-22-8-9-23(17-24(22)31(32,33)34)35-28(42)21-5-3-4-20(16-21)25-10-11-26-29(36-25)43-30(37-26)38-27(41)19-6-7-19/h3-5,8-11,16-17,19H,2,6-7,12-15,18H2,1H3,(H,35,42)(H,37,38,41)","HG-7-85-01","2012-02-02","2020-06-17","3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide",""],["NG8","3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide","C16 H21 B F2 N3 O","CCNC(=O)CCc1ccc2Cc3n(c(C)cc3C)[B-](F)(F)n12;[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F","InChI=1S/C16H21BF2N3O/c1-4-20-16(23)8-7-13-5-6-14-10-15-11(2)9-12(3)21(15)17(18,19)22(13)14/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,23)/q-1","","2019-11-29","2020-02-28","3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide","2020-03-04"],["6JH","2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine","C17 H11 N3 O S","c1ccccc1Oc4c(c3nc2ccncc2s3)cccn4;O(c1ccccc1)c2ncccc2c3sc4cnccc4n3;c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3","InChI=1S/C17H11N3OS/c1-2-5-12(6-3-1)21-16-13(7-4-9-19-16)17-20-14-8-10-18-11-15(14)22-17/h1-11H","","2016-04-14","2016-07-15","2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine","2016-07-20"],["NG9","2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","C24 H35 Cl2 N3 O3","CC1(C)CC(CC(C)(C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl;CC1(CC(CC(O1)(C)C)(C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl)C","InChI=1S/C24H35Cl2N3O3/c1-22(2)15-24(16-23(3,4)32-22,28-19-7-5-18(26)6-8-19)21(31)29-11-9-17(10-12-29)14-27-20(30)13-25/h5-8,17,28H,9-16H2,1-4H3,(H,27,30)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["6JI","5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one","C24 H32 O4","C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C6=COC(=O)C=C6;CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O","InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1","Resibufogenin","2022-02-15","2022-02-25","","2022-03-02"],["NGA","2-acetamido-2-deoxy-beta-D-galactopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1","N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose;\n2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE","1999-07-08","2024-09-27","2-(acetylamino)-2-deoxy-beta-D-galactopyranose",""],["6JJ","6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","C15 H10 N4 O S","c1ccccc1Oc2ccccc2c4sc3n(cnn3)n4;O(c1ccccc1)c2ccccc2c3sc4nncn4n3;c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3","InChI=1S/C15H10N4OS/c1-2-6-11(7-3-1)20-13-9-5-4-8-12(13)14-18-19-10-16-17-15(19)21-14/h1-10H","","2016-04-14","2016-07-15","6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","2016-07-20"],["6JM","2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one","C15 H10 O6","c1c(O)c(O)ccc1C=3Oc2ccc(O)cc2C(C=3O)=O;Oc1ccc2OC(=C(O)C(=O)c2c1)c3ccc(O)c(O)c3;c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O","InChI=1S/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H","","2016-04-15","2016-08-12","2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one","2016-08-17"],["NGB","4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","C18 H25 N O13","[O-][N+](=O)c3ccc(OC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)cc3;OC[CH]1O[CH](OC[CH]2O[CH](Oc3ccc(cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1","P-NITROPHENYL-GENTIOBIOSIDE","2013-08-13","2020-06-17","4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","2014-06-25"],["NGC","N-glycolyl-alpha-neuraminic acid","C11 H19 N O10","O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO;OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1NC(=O)CO)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)O","InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11+/m0/s1","N-glycolylneuraminic acid; sialic acid;\n3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","2008-07-25","2020-07-17","3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",""],["6JN","3-oxopentanedioic acid","C5 H6 O5","C(C(=O)O)C(CC(O)=O)=O;OC(=O)CC(=O)CC(O)=O;C(C(=O)CC(=O)O)C(=O)O","InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)","","2016-04-15","2018-11-09","3-oxopentanedioic acid","2018-11-14"],["NGD","3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD\nROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-\nYL]PYRIDINIUM","C21 H28 N7 O15 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N","InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/p+1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1","NICOTINAMIDE GUANINE DINUCLEOTIDE","2006-12-12","2020-06-17","[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["6JO","3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one","C15 H10 O5","c1c(cccc1C=3Oc2ccc(O)cc2C(C=3O)=O)O;Oc1cccc(c1)C2=C(O)C(=O)c3cc(O)ccc3O2;c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O","InChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-7-10(17)4-5-12(11)20-15/h1-7,16-17,19H","","2016-04-18","2016-08-12","3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one","2016-08-17"],["NGE","N-glycolyl-beta-neuraminic acid","C11 H19 N O10","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CO)C(O)C1;OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1NC(=O)CO)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)O","InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1","N-glycolylneuraminic acid; sialic acid","2009-11-05","2020-07-17","3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid",""],["6JP","(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one","C16 H14 O6","C1C(Oc2c(C1=O)c(cc(O)c2)O)c3ccc(c(c3)O)OC;COc1ccc(cc1O)[CH]2CC(=O)c3c(O)cc(O)cc3O2;COc1ccc(cc1O)C2CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1","","2016-04-18","2016-08-12","(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one","2016-08-17"],["NGF","3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid","C11 H19 N O10","O=C(O)C(=O)CC(O)C(NC(=O)CO)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](NC(=O)CO)[CH](O)CC(=O)C(O)=O;C(C(C(C(C(C(CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O","InChI=1S/C11H19NO10/c13-2-6(17)9(19)10(20)8(12-7(18)3-14)4(15)1-5(16)11(21)22/h4,6,8-10,13-15,17,19-20H,1-3H2,(H,12,18)(H,21,22)/t4-,6+,8+,9+,10+/m0/s1","N-glycolylneuraminic acid, ketone form","2013-01-04","2021-03-13","3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid","2013-11-06"],["6JQ","N-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide","C33 H34 N4 O4","c3(c(cc(NC(c2cc1c(OCCO1)cc2)=O)cc3)NC(=O)c6ccc4c(ccc(n4)CCCN5CCCC5)c6)C;Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c4ccc5nc(CCCN6CCCC6)ccc5c4;Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6","InChI=1S/C33H34N4O4/c1-22-6-10-27(35-32(38)25-9-13-30-31(20-25)41-18-17-40-30)21-29(22)36-33(39)24-8-12-28-23(19-24)7-11-26(34-28)5-4-16-37-14-2-3-15-37/h6-13,19-21H,2-5,14-18H2,1H3,(H,35,38)(H,36,39)","","2016-04-18","2017-01-06","N-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide","2017-01-11"],["NGH","N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID","C13 H20 N2 O5 S","O=C(NO)CN(S(=O)(=O)c1ccc(OC)cc1)CC(C)C;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)CC(=O)NO;CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC","InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)","","2003-08-06","2011-06-04","N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-methylpropyl)glycinamide",""],["6JR","3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one","C18 H16 N5 O7 P","n54C(c3ncn(C2OC1COP(OC1C2O)(O)=O)c3Nc4nc(c5)c6ccccc6)=O;O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)n5cc(nc5Nc34)c6ccccc6;c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4C5C(C6C(O5)COP(=O)(O6)O)O)C3=O","InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1","PET-cGMP","2016-04-19","2021-03-01","3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one","2017-08-09"],["NGI","2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE","C23 H29 N7 O6","CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(NCCc4ccc(CCC(O)=O)cc4)nc23;CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O","InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1","","2015-03-23","2015-04-03","3-[4-[2-[[6-azanyl-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid","2015-04-08"],["6JS","3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C20 H15 N5 O3","c12nnc(c1c(ncn2)Nc3cc(ccc3OC)c4occc4)c5ccco5;COc1ccc(cc1Nc2ncnc3[nH]nc(c4occc4)c23)c5occc5;COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5","InChI=1S/C20H15N5O3/c1-26-15-7-6-12(14-4-2-8-27-14)10-13(15)23-19-17-18(16-5-3-9-28-16)24-25-20(17)22-11-21-19/h2-11H,1H3,(H2,21,22,23,24,25)","","2016-04-19","2016-09-02","3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2016-09-07"],["6JT","(3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide","C20 H23 N3 O4","N(C(CC(c1nc(no1)Cc2c3c(oc2)cccc3)CC4CCCC4)=O)O;ONC(=O)C[CH](CC1CCCC1)c2onc(Cc3coc4ccccc34)n2;c1ccc2c(c1)c(co2)Cc3nc(on3)C(CC4CCCC4)CC(=O)NO","InChI=1S/C20H23N3O4/c24-19(22-25)11-14(9-13-5-1-2-6-13)20-21-18(23-27-20)10-15-12-26-17-8-4-3-7-16(15)17/h3-4,7-8,12-14,25H,1-2,5-6,9-11H2,(H,22,24)/t14-/m1/s1","","2016-04-19","2016-11-25","(3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide","2016-11-30"],["NGJ","5-amino-3-ethylisoquinolin-1(2H)-one","C11 H12 N2 O","O=C1c2cccc(c2C=C(N1)CC)N;CCC1=Cc2c(N)cccc2C(=O)N1;CCC1=Cc2c(cccc2N)C(=O)N1","InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14)","","2014-08-07","2015-07-24","5-amino-3-ethylisoquinolin-1(2H)-one","2015-07-29"],["NGK","2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose","C8 H15 N O9 S","O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[S](O)(=O)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)O","InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8+/m1/s1","2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE; N-acetyl-4-O-sulfo-alpha-D-galactosamine;\n2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactose; 2-acetamido-2-deoxy-4-O-sulfo-D-galactose;\n2-acetamido-2-deoxy-4-O-sulfo-galactose","2003-04-15","2020-07-17","2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose",""],["6JU","2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide","C17 H15 Br N2 O2","c1(cn(c2c1cc(cc2)Br)CC(=O)NO)Cc3ccccc3;ONC(=O)Cn1cc(Cc2ccccc2)c3cc(Br)ccc13;c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO","InChI=1S/C17H15BrN2O2/c18-14-6-7-16-15(9-14)13(8-12-4-2-1-3-5-12)10-20(16)11-17(21)19-22/h1-7,9-10,22H,8,11H2,(H,19,21)","","2016-04-20","2016-11-25","2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide","2016-11-30"],["NGL","ACETYLGALACTOSAMINE-4-SULFATE","C8 H15 N O9 S","O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[S](O)(=O)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)O","InChI=1/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1/f/h9,14H","","1999-07-08","2008-10-14","2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose",""],["6JV","N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide","C23 H28 N6 O4 S","c14c(scc1C(=O)Nc2ccc(cc2OC)C(NCCCN3CCN(C)CC3)=O)C(=O)NC=N4;COc1cc(ccc1NC(=O)c2csc3C(=O)NC=Nc23)C(=O)NCCCN4CCN(C)CC4;CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O","InChI=1S/C23H28N6O4S/c1-28-8-10-29(11-9-28)7-3-6-24-21(30)15-4-5-17(18(12-15)33-2)27-22(31)16-13-34-20-19(16)25-14-26-23(20)32/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,30)(H,27,31)(H,25,26,32)","","2016-04-20","2016-07-22","N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide","2016-07-27"],["NGM","NOGALAMYCIN","C39 H49 N O16","O=C(OC)C7c4c(c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5c4)C(OC6OC(C)C(OC)C(OC)(C)C6OC)CC7(O)C;CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5c6O[CH]7O[C](C)([CH](O)[CH]([CH]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[CH](OC)[C]1(C)OC;CC1C(C(C(C(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC","InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1","","1999-07-08","2011-06-04","methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate",""],["6JW","5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione","C8 H11 Br N2 O3","CCC1(CCBr)C(=O)NC(=O)NC1=O;CCC1(C(=O)NC(=O)NC1=O)CCBr","InChI=1S/C8H11BrN2O3/c1-2-8(3-4-9)5(12)10-7(14)11-6(8)13/h2-4H2,1H3,(H2,10,11,12,13,14)","","2016-05-26","2016-12-16","5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione","2016-12-21"],["NGN","NITROGEN","N","N;[N];[NH4+]","InChI=1/H3N/h1H3","","2002-07-11","2008-10-14","ammonia",""],["6JX","allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate","C14 H14 N6 O3","c3(nc1c(cc2c(c1)N=C(NC2=O)NC(=O)OC[C@H]=C)n3)NC;CNc1[nH]c2cc3N=C(NC(=O)OCC=C)NC(=O)c3cc2n1;CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C","InChI=1S/C14H14N6O3/c1-3-4-23-14(22)20-13-16-8-6-10-9(17-12(15-2)18-10)5-7(8)11(21)19-13/h3,5-6H,1,4H2,2H3,(H2,15,17,18)(H2,16,19,20,21,22)","","2016-04-20","2017-05-05","prop-2-en-1-yl [2-(methylamino)-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-6-yl]carbamate","2017-05-10"],["NGO","2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE","C8 H14 N O5","O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C;CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O1;CC1=[NH+]C2C(C(C(OC2O1)CO)O)O","InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1","N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE","2000-08-25","2021-03-01","(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium",""],["6JY","N~2~-(benzenecarbonyl)-L-arginine","C13 H18 N4 O3","N/C(NCCCC(NC(=O)c1ccccc1)C(=O)O)=N;NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1","","2016-04-20","2017-05-05","N~2~-(benzenecarbonyl)-L-arginine","2017-05-10"],["6JZ","3,6,9,12,15-pentaoxaheptadecane","C12 H26 O5","CCOCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCC","InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3","Part of Jeffamine","2009-06-02","2018-09-26","3,6,9,12,15-pentaoxaheptadecane",""],["NGP","NOGALAMYCIN (PROTONATED FORM)","C39 H52 N O16","O=C(OC)C3C1=CC7C(=C(O)C1C(OC2OC(C)C(OC)C(OC)(C)C2OC)CC3(O)C)C(=O)c6c(O)cc4c(OC5OC4(C(O)C(C5O)[NH+](C)C)C)c6C7=O;CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)C3=C[CH]4C(=O)c5c6O[CH]7O[C](C)([CH](O)[CH]([CH]7O)[NH+](C)C)c6cc(O)c5C(=O)C4=C(O)[CH]23)[CH](OC)[C]1(C)OC;CC1C(C(C(C(O1)OC2CC(C(C3=CC4C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC","InChI=1S/C39H51NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,16,19-20,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/p+1/t14-,16-,19-,20-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1","","2002-02-21","2011-06-04","(2R,3S,4R,5R,6R,10aS,11S,13S,14R,15aS)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-14-(methoxycarbonyl)-N,N,6,13-tetramethyl-9,16-dioxo-3,4,5,6,9,10a,11,12,13,14,15a,16-dodecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium",""],["NGQ","N-carbamimidoyl-L-glutamic acid","C6 H11 N3 O4","O=C(O)C(NC(=[N@H])N)CCC(=O)O;NC(=N)N[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NC(=N)N","InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1","N-Guanidino-L-Glutamate","2010-04-12","2021-03-01","N-carbamimidoyl-L-glutamic acid",""],["6K0","N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea","C22 H19 F2 N7 O2","c1n(C(C)C)c4c(c1C(c3ccnc(NC(Nc2c(cc(cc2)F)F)=O)c3)=O)c(N)ncn4;CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(F)cc3F)c2)c4c(N)ncnc14;CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F","InChI=1S/C22H19F2N7O2/c1-11(2)31-9-14(18-20(25)27-10-28-21(18)31)19(32)12-5-6-26-17(7-12)30-22(33)29-16-4-3-13(23)8-15(16)24/h3-11H,1-2H3,(H2,25,27,28)(H2,26,29,30,33)","","2016-04-20","2017-02-24","N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea","2017-03-01"],["6K1","N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide","C23 H21 Cl N6 O2","c2c(c1c(ncnc1n2C(C)C)N)C(=O)c4cncc(NC(Cc3ccc(cc3)Cl)=O)c4;CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c4c(N)ncnc14;CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl","InChI=1S/C23H21ClN6O2/c1-13(2)30-11-18(20-22(25)27-12-28-23(20)30)21(32)15-8-17(10-26-9-15)29-19(31)7-14-3-5-16(24)6-4-14/h3-6,8-13H,7H2,1-2H3,(H,29,31)(H2,25,27,28)","","2016-04-20","2017-02-24","N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide","2017-03-01"],["NGR","3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose","C12 H22 O11","O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11+,12-/m1/s1","","2008-05-29","2020-07-17","3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose",""],["NGS","2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose","C8 H15 N O9 S","O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O","InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1","2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose; N-ACETYL-D-GLUCOSAMINE-6-SULFATE;\nN-acetyl-6-O-sulfo-beta-D-glucosamine; 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucose;\n2-acetamido-2-deoxy-6-O-sulfo-D-glucose; 2-acetamido-2-deoxy-6-O-sulfo-glucose","1999-07-08","2020-07-17","2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose",""],["6K2","2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide","C24 H20 N6 O2","c1n(C(C)C)c4c(c1C(c2cncc(c2)NC(=O)Cc3ccc(cc3)C#N)=O)cncn4;CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c4cncnc14;CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N","InChI=1S/C24H20N6O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)18-8-19(11-26-10-18)29-22(31)7-16-3-5-17(9-25)6-4-16/h3-6,8,10-15H,7H2,1-2H3,(H,29,31)","","2016-04-20","2017-02-24","2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide","2017-03-01"],["NGT","3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL","C8 H13 N O4 S","N1=C(SC2OC(C(O)C(O)C12)CO)C;CC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CC1=NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1","","2001-01-08","2011-06-04","(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol",""],["6K3","heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside","C13 H25 F O5","CCCCCCCO[CH]1O[CH](CO)[CH](F)[CH](O)[CH]1O;CCCCCCCOC1C(C(C(C(O1)CO)F)O)O","InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(14)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1","4-Fluoro-Heptylmannoside; heptyl 4-deoxy-4-fluoro-alpha-D-mannoside; heptyl 4-deoxy-4-fluoro-D-mannoside; heptyl\n4-deoxy-4-fluoro-mannoside","2016-05-27","2020-07-17","(2~{S},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol","2017-06-21"],["NGU","U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN","C39 H49 N O17","O=C(OC)C7c4c(c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C(O)C(N(C)CO)C2O)C)c3C(=O)c5c4)C(OC6OC(C)C(OC)C(OC)(C)C6OC)CC7(O)C;CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5c6O[CH]7O[C](C)([CH](O)[CH]([CH]7O)N(C)CO)c6cc(O)c5C(=O)c4c(O)c23)[CH](OC)[C]1(C)OC;CC1C(C(C(C(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)N(C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC","InChI=1S/C39H49NO17/c1-14-32(50-6)39(4,53-9)33(51-7)36(54-14)55-19-12-37(2,49)24(34(48)52-8)15-10-16-21(27(44)20(15)19)28(45)22-18(42)11-17-30(23(22)26(16)43)56-35-29(46)25(40(5)13-41)31(47)38(17,3)57-35/h10-11,14,19,24-25,29,31-33,35-36,41-42,44,46-47,49H,12-13H2,1-9H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1","","1999-07-08","2011-06-04","methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-4-[(hydroxymethyl)(methyl)amino]-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate",""],["6K4","N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide","C23 H22 Cl N7 O3","C(O)C(C)(C)n2cc(c1cnc(N)nc12)C(=O)c4cc(NC(Cc3ncc(cc3)Cl)=O)cnc4;CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c4cnc(N)nc14;CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl","InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)","","2016-04-20","2017-02-24","N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide","2017-03-01"],["NGV","METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE","C21 H14 O7","O=C1c4c(C(=O)c2c1cccc2O)c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4;COC(=O)C1=C(C)CC(=O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc12;CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC","InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3","NOGALAVIKETONE","2004-03-09","2021-03-01","methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate",""],["6K5","[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol","C18 H21 Cl F3 N7 O2","FC(c1c(cnc(c1)N)c2nc(nc(n2)N3CC(C3)(CCl)CO)N4CCOCC4)(F)F;Nc1cc(c(cn1)c2nc(nc(n2)N3CC(CO)(CCl)C3)N4CCOCC4)C(F)(F)F;c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F","InChI=1S/C18H21ClF3N7O2/c19-7-17(10-30)8-29(9-17)16-26-14(25-15(27-16)28-1-3-31-4-2-28)11-6-24-13(23)5-12(11)18(20,21)22/h5-6,30H,1-4,7-10H2,(H2,23,24)","","2016-04-21","2017-03-10","[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol","2017-03-15"],["NGW","(2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol","C8 H15 N O4 S","O1C(C(O)C(O)C2NC(SC12)C)CO;C[CH]1N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CC1NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C8H15NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+,8+/m0/s1","","2012-06-22","2014-09-05","(2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2013-07-10"],["6K6","N-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)","C15 H18 N5 O8 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCc3occc3)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NCc4occc4)ncnc23;c1cc(oc1)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C15H18N5O8P/c21-11-9(5-27-29(23,24)25)28-15(12(11)22)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-26-8/h1-3,6-7,9,11-12,15,21-22H,4-5H2,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1","","2013-06-10","2014-01-31","N-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)","2014-02-05"],["NGX","(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol","C11 H12 Cl N3 O","OC(Cc1cccc(Cl)c1)Cn1cncn1;O[CH](Cn1cncn1)Cc2cccc(Cl)c2;c1cc(cc(c1)Cl)CC(Cn2cncn2)O","InChI=1S/C11H12ClN3O/c12-10-3-1-2-9(4-10)5-11(16)6-15-8-13-7-14-15/h1-4,7-8,11,16H,5-6H2/t11-/m0/s1","","2023-08-16","2023-11-03","(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol","2023-11-08"],["6K7","[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol","C19 H22 Cl F3 N6 O2","c2(N1CCOCC1)cc(nc(n2)N3CC(C3)(CO)CCl)c4c(C(F)(F)F)cc(nc4)N;Nc1cc(c(cn1)c2cc(nc(n2)N3CC(CO)(CCl)C3)N4CCOCC4)C(F)(F)F;c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F","InChI=1S/C19H22ClF3N6O2/c20-8-18(11-30)9-29(10-18)17-26-14(6-16(27-17)28-1-3-31-4-2-28)12-7-25-15(24)5-13(12)19(21,22)23/h5-7,30H,1-4,8-11H2,(H2,24,25)","","2016-04-21","2017-03-10","[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol","2017-03-15"],["NGY","2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose","C8 H15 N O9 S","O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O","InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8+/m1/s1","2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose; N-acetyl-6-O-sulfo-alpha-D-glucosamine;\n2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucose; 2-acetamido-2-deoxy-6-O-sulfo-D-glucose;\n2-acetamido-2-deoxy-6-O-sulfo-glucose","2008-06-13","2020-07-17","2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose",""],["6K8","N-(benzenecarbonyl)glycyl-L-arginine","C15 H21 N5 O4","N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N;NC(=N)NCCC[CH](NC(=O)CNC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1","","2016-04-21","2017-05-19","N-(benzenecarbonyl)glycyl-L-arginine","2017-05-24"],["NGZ","2-acetamido-2-deoxy-alpha-L-glucopyranose","C8 H15 N O6","C1(C(C(C(C(CO)O1)O)O)NC(C)=O)O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1","N-acetyl-alpha-L-glucosamine; 2-acetamido-2-deoxy-alpha-L-glucose; 2-acetamido-2-deoxy-L-glucose;\n2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSE","2004-06-10","2020-07-17","2-(acetylamino)-2-deoxy-alpha-L-glucopyranose",""],["6K9","(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)","C40 H59 N O11","C31C9OC2C1OC5(C2)OC9C4C(O3)CCC(O4)CC(CC8C(CC7C(/C(CC(CCC6C(CC(CC5)O6)=C)O7)C)=C)OC(C8OC)CC(CN)O)=O;CO[CH]1[CH](C[CH](O)CN)O[CH]2C[CH]3O[CH](CC[CH]4O[CH](CC[C]56C[CH]7O[CH]8[CH](O[CH]9CC[CH](CC(=O)C[CH]12)O[CH]9[CH]8O5)[CH]7O6)CC4=C)C[CH](C)C3=C;CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O","InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1","","2016-04-21","2016-06-24","(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)","2016-06-29"],["NH","AMINO SUBSTITUTION GROUP","H N","N;[NH];[NH]","InChI=1/H3N/h1H3","","1999-07-08","2008-10-14","ammonia",""],["6KA","N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine","C18 H17 Cl F N7 S","c1(c(c(F)ccc1)Cn2ccc(n2)Nc4sc(C(C)n3ccc(n3)C)nn4)Cl;C[CH](n1ccc(C)n1)c2sc(Nc3ccn(Cc4c(F)cccc4Cl)n3)nn2;Cc1ccn(n1)C(C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F","InChI=1S/C18H17ClFN7S/c1-11-6-9-27(24-11)12(2)17-22-23-18(28-17)21-16-7-8-26(25-16)10-13-14(19)4-3-5-15(13)20/h3-9,12H,10H2,1-2H3,(H,21,23,25)/t12-/m0/s1","","2016-04-21","2016-08-05","N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine","2016-08-10"],["NH0","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C30 H37 N3 O3 S","CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1ccncc1;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc2ccncc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCc3ccncc3","InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(20-24-10-6-4-7-11-24)22-37-27(21-25-12-8-5-9-13-25)28(34)32-19-16-23-14-17-31-18-15-23/h4-15,17-18,26-27H,16,19-22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1","","2022-04-04","2022-07-22","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2022-07-27"],["6KB","4-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid","C19 H30 N5 O19 P3","O=C(CCCOC1OC(C(C1O)O)COP(O)(OP(O)(=O)OCC4OC(n3c2c(c(ncn2)N)nc3)C(C4O)OP(O)(=O)O)=O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](OCCCC(O)=O)[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N","InChI=1S/C19H30N5O19P3/c20-16-11-17(22-6-21-16)24(7-23-11)18-15(42-44(30,31)32)13(28)9(40-18)5-39-46(35,36)43-45(33,34)38-4-8-12(27)14(29)19(41-8)37-3-1-2-10(25)26/h6-9,12-15,18-19,27-29H,1-5H2,(H,25,26)(H,33,34)(H,35,36)(H2,20,21,22)(H2,30,31,32)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1","","2016-04-21","2024-11-11","4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name)","2017-05-03"],["NH1","3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE","C29 H37 N O4 S","O=C3OC(C1CCCC1)(CC(O)=C3Sc2cc(c(N)cc2C(C)(C)C)C)CCc4ccc(O)cc4;Cc1cc(SC2=C(O)C[C](CCc3ccc(O)cc3)(OC2=O)C4CCCC4)c(cc1N)C(C)(C)C;Cc1cc(c(cc1N)C(C)(C)C)SC2=C(CC(OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O","InChI=1S/C29H37NO4S/c1-18-15-25(22(16-23(18)30)28(2,3)4)35-26-24(32)17-29(34-27(26)33,20-7-5-6-8-20)14-13-19-9-11-21(31)12-10-19/h9-12,15-16,20,31-32H,5-8,13-14,17,30H2,1-4H3/t29-/m0/s1","","2003-03-26","2011-06-04","(6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one",""],["6KC","N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide","C25 H23 N5 O3 S","c15c(scc1C(=O)Nc2ccc(cc2c3ccccc3)C(N4CCN(C)CC4)=O)C(=O)NC=N5;CN1CCN(CC1)C(=O)c2ccc(NC(=O)c3csc4C(=O)NC=Nc34)c(c2)c5ccccc5;CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O","InChI=1S/C25H23N5O3S/c1-29-9-11-30(12-10-29)25(33)17-7-8-20(18(13-17)16-5-3-2-4-6-16)28-23(31)19-14-34-22-21(19)26-15-27-24(22)32/h2-8,13-15H,9-12H2,1H3,(H,28,31)(H,26,27,32)","","2016-04-22","2016-07-22","N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide","2016-07-27"],["6KD","N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide","C22 H25 N5 O4 S","C1CN(C)CCN1C(=O)c4c(OC(C)C)c(NC(c3csc2C(=O)NC=Nc23)=O)ccc4;CC(C)Oc1c(NC(=O)c2csc3C(=O)NC=Nc23)cccc1C(=O)N4CCN(C)CC4;CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C","InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)","","2016-04-22","2016-07-22","N-{3-(4-methylpiperazine-1-carbonyl)-2-[(propan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide","2016-07-27"],["NH2","AMINO GROUP","H2 N","N;[NH2];[NH2]","InChI=1S/H3N/h1H3","","1999-07-08","2024-09-27","ammonia","2021-04-14"],["NH3","AMMONIA","H3 N","N;N;N","InChI=1S/H3N/h1H3","","1999-09-30","2024-09-27","ammonia",""],["6KE","(2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide","C20 H16 Cl N5 O4 S2","c1(S(=O)(=O)N)ccc(cc1)NC(=O)C(SC=2NC(=O)C(=C(N=2)c3ccc(cc3)Cl)C#N)C;C[CH](SC1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)[S](N)(=O)=O;CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl","InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/t11-/m0/s1","","2016-04-22","2016-06-24","(2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide","2016-06-29"],["NH4","AMMONIUM ION","H4 N","[NH4+];[NH4+];[NH4+]","InChI=1S/H3N/h1H3/p+1","","1999-07-08","2024-09-27","ammonium",""],["6KF","(2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)","C39 H44 N6 O5","N(C(Cc1ccccc1)C(NC(Cc3ccc(c2ccccc2)cc3)C(=O)NC(Cc4ccccc4)C(=O)NC(C)C(O)C(CO)C)=O)=[N+]=[N-];C[CH](CO)[CH](O)[CH](C)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccc(cc2)c3ccccc3)NC(=O)[CH](Cc4ccccc4)N=[N+]=[N-];CC(CO)C(C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccc(cc2)c3ccccc3)NC(=O)C(Cc4ccccc4)N=[N+]=[N-])O","InChI=1S/C39H44N6O5/c1-26(25-46)36(47)27(2)41-37(48)33(22-28-12-6-3-7-13-28)42-38(49)34(23-30-18-20-32(21-19-30)31-16-10-5-11-17-31)43-39(50)35(44-45-40)24-29-14-8-4-9-15-29/h3-21,26-27,33-36,46-47H,22-25H2,1-2H3,(H,41,48)(H,42,49)(H,43,50)/t26-,27+,33+,34+,35+,36+/m1/s1","","2016-04-22","2024-09-27","(2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)","2016-08-03"],["NH5","N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide","C29 H38 Cl2 N4 O4","Clc1ccc(cc1Cl)CCNCCC(=O)N(C2CCCCC2)CCNCCc3ccc(O)c4NC(=O)COc34;Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)c4OCC(=O)Nc14;c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl","InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)","","2011-06-06","2011-08-05","N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide",""],["6KG","Nalpha-[(2S)-2-{[(2S)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide","C37 H54 N6 O5","c1ccc(cc1)CC(C(NC(C(=O)NC(Cc2ccccc2)C(NC(CC(C)C)C(O)C(C)CO)=O)CCC3CCCCC3)=O)N=[N+]=[N-];CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC2CCCCC2)NC(=O)[CH](Cc3ccccc3)N=[N+]=[N-])[CH](O)[CH](C)CO;CC(C)CC(C(C(C)CO)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC2CCCCC2)NC(=O)C(Cc3ccccc3)N=[N+]=[N-]","InChI=1S/C37H54N6O5/c1-25(2)21-31(34(45)26(3)24-44)40-36(47)32(22-28-15-9-5-10-16-28)41-35(46)30(20-19-27-13-7-4-8-14-27)39-37(48)33(42-43-38)23-29-17-11-6-12-18-29/h5-6,9-12,15-18,25-27,30-34,44-45H,4,7-8,13-14,19-24H2,1-3H3,(H,39,48)(H,40,47)(H,41,46)/t26-,30+,31+,32+,33+,34+/m1/s1","","2016-04-22","2024-09-27","Nalpha-[(2S)-2-{[(2S)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide","2016-08-03"],["NH6","~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide","C25 H27 Cl N2 O4 S2","Clc1ccc(CN(C2CCCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)NCc4ccccc4)cc1;c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4","InChI=1S/C25H27ClN2O4S2/c26-22-12-10-21(11-13-22)19-28(23-8-4-5-9-23)34(31,32)25-16-14-24(15-17-25)33(29,30)27-18-20-6-2-1-3-7-20/h1-3,6-7,10-17,23,27H,4-5,8-9,18-19H2","","2016-12-06","2017-01-26","~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide","2017-02-01"],["6KH","heptyl 3-fluoro-alpha-D-mannopyranoside","C13 H25 F O5","CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](F)[CH]1O;CCCCCCCOC1C(C(C(C(O1)CO)O)F)O","InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)10(14)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12+,13+/m1/s1","3-Fluoro-Heptylmannoside; heptyl 3-fluoro-alpha-D-mannoside; heptyl 3-fluoro-D-mannoside; heptyl 3-fluoro-mannoside","2016-05-27","2020-07-17","(2~{S},3~{R},4~{S},5~{R},6~{R})-4-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,5-diol","2017-06-21"],["NH7","2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide","C30 H27 Cl N4 O4","O=C(NN1CCOCC1)c4cc2cc(oc2c(c3ccccc3)c4)C(O)(c5ccc(Cl)cc5)c6cncn6C;Cn1cncc1[C](O)(c2oc3c(cc(cc3c4ccccc4)C(=O)NN5CCOCC5)c2)c6ccc(Cl)cc6;Cn1cncc1C(c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O","InChI=1S/C30H27ClN4O4/c1-34-19-32-18-26(34)30(37,23-7-9-24(31)10-8-23)27-17-21-15-22(29(36)33-35-11-13-38-14-12-35)16-25(28(21)39-27)20-5-3-2-4-6-20/h2-10,15-19,37H,11-14H2,1H3,(H,33,36)/t30-/m0/s1","","2008-02-26","2011-06-04","2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide",""],["6KI","Co-octaethylporphyrin","C36 H44 Co N4","CCC1=C(CC)C2=Cc3n4[Co]N5C(=CC1=N2)C(=C(CC)C5=CC6=NC(=Cc4c(CC)c3CC)C(=C6CC)CC)CC;CCc1c2n3c(c1CC)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8CC)CC)C(=C(C7=C2)CC)CC)CC)CC","InChI=1S/C36H44N4.Co/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;","","2021-09-24","2022-09-09","","2022-09-14"],["NH8","3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile","C27 H17 N5 O4","N#Cc1ccc(cc1)C(O)(c2cncn2C)c4oc3c(cc(cc3c4)[N+]([O-])=O)c5cccc(C#N)c5;Cn1cncc1[C](O)(c2oc3c(c2)cc(cc3c4cccc(c4)C#N)[N+]([O-])=O)c5ccc(cc5)C#N;Cn1cncc1C(c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O","InChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-7-5-17(13-28)6-8-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-4-2-3-18(9-19)14-29/h2-12,15-16,33H,1H3/t27-/m0/s1","","2008-02-26","2011-06-04","3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile",""],["6KJ","(5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline","C10 H20 N4 O3","O=C(O)C(N)CC/C=N/C(=[N@H])NOC(C)(C)C;CC(C)(C)ONC(=N)N=CCC[CH](N)C(O)=O;CC(C)(C)ONC(=N)N=CCCC(C(=O)O)N","InChI=1S/C10H20N4O3/c1-10(2,3)17-14-9(12)13-6-4-5-7(11)8(15)16/h6-7H,4-5,11H2,1-3H3,(H2,12,14)(H,15,16)/b13-6+/t7-/m0/s1","","2012-09-04","2013-05-10","(5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline","2013-05-15"],["NH9","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(R)-hydroxy{[(R)-hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","C39 H65 N10 O30 P5 S","O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(C)NC1C(C)OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N2C=C(C)C(=O)NC2=O)C(O)C1O)n1cnc2c(N)ncnc21;C[CH](N[CH]1[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH]1O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc56;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC(C)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O","InChI=1S/C39H65N10O30P5S/c1-17-11-48(38(58)47-34(17)56)24-10-20(50)21(74-24)12-70-82(64,65)79-84(68,69)77-37-28(53)27(52)25(18(2)73-37)46-19(3)85-9-8-41-23(51)6-7-42-35(57)31(55)39(4,5)14-72-83(66,67)78-81(62,63)71-13-22-30(76-80(59,60)61)29(54)36(75-22)49-16-45-26-32(40)43-15-44-33(26)49/h11,15-16,18-22,24-25,27-31,36-37,46,50,52-55H,6-10,12-14H2,1-5H3,(H,41,51)(H,42,57)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H2,40,43,44)(H,47,56,58)(H2,59,60,61)/t18-,19+,20+,21-,22-,24-,25-,27+,28-,29-,30-,31+,36-,37-/m1/s1","","2022-02-10","2022-03-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(R)-hydroxy{[(R)-hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2022-03-09"],["6KK","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate","C32 H48 N2 O8 S","c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)CC64CC5CC(C4)CC(C5)C6)CC(C)C)=O)OC;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](CC23CC4CC(CC(C4)C2)C3)NC(=O)O[CH]5CO[CH]6OCC[CH]56;CC(C)CN(CC(C(CC12CC3CC(C1)CC(C3)C2)NC(=O)OC4COC5C4CCO5)O)S(=O)(=O)c6ccc(cc6)OC","InChI=1S/C32H48N2O8S/c1-20(2)17-34(43(37,38)25-6-4-24(39-3)5-7-25)18-28(35)27(16-32-13-21-10-22(14-32)12-23(11-21)15-32)33-31(36)42-29-19-41-30-26(29)8-9-40-30/h4-7,20-23,26-30,35H,8-19H2,1-3H3,(H,33,36)/t21-,22+,23-,26-,27-,28+,29-,30+,32-/m0/s1","","2016-04-22","2016-09-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate","2016-09-21"],["NHA","C-DEHYDROXY-C-AMINO-ASPARAGINE","C4 H9 N3 O2","NC(CC(N)=O)C(N)=O;C(C(C(=O)N)N)C(=O)N","InChI=1S/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)","","1999-07-08","2024-09-27","(2R)-2-aminobutanediamide","2023-01-18"],["6KL","methyl 4,5-bisacetamido-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C14 H24 N2 O9","C(O)(C1(OC)OC(C(C(C1)NC(C)=O)NC(C)=O)C(C(CO)O)O)=O;CO[C]1(C[CH](NC(C)=O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1CC(OC(C1NC(=O)C)C(C(CO)O)O)(C(=O)O)OC","InChI=1S/C14H24N2O9/c1-6(18)15-8-4-14(24-3,13(22)23)25-12(10(8)16-7(2)19)11(21)9(20)5-17/h8-12,17,20-21H,4-5H2,1-3H3,(H,15,18)(H,16,19)(H,22,23)/t8-,9+,10+,11+,12+,14+/m0/s1","methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid; methyl\n4,5-bisacetamido-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n4,5-bisacetamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n4,5-bisacetamido-3,4,5-trideoxy-D-glycero-galacto-non-2-ulosidonic acid","2016-04-22","2020-07-17","methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","2016-05-11"],["NHB","N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE","C17 H15 N3 O4 S2","O=S(=O)(c2sc(c1ncccc1)cc2)N(c3ccc(C(=O)NO)cc3)C;CN(c1ccc(cc1)C(=O)NO)[S](=O)(=O)c2sc(cc2)c3ccccn3;CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3","InChI=1S/C17H15N3O4S2/c1-20(13-7-5-12(6-8-13)17(21)19-22)26(23,24)16-10-9-15(25-16)14-4-2-3-11-18-14/h2-11,22H,1H3,(H,19,21)","","2004-06-25","2011-06-04","N-hydroxy-4-{methyl[(5-pyridin-2-ylthiophen-2-yl)sulfonyl]amino}benzamide",""],["6KM","S-propanoyl-L-cysteine","C6 H11 N O3 S","NC(CSC(CC)=O)C(=O)O;CCC(=O)SC[CH](N)C(O)=O;CCC(=O)SCC(C(=O)O)N","InChI=1S/C6H11NO3S/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1","","2016-04-22","2024-09-27","S-propanoyl-L-cysteine","2017-03-01"],["NHC","(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","C10 H14 O5","O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C;C[C]1([CH]2CC[CH](O2)[C]1(C)C(O)=O)C(O)=O;CC1(C2CCC(C1(C)C(=O)O)O2)C(=O)O","InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-","Cantharidic acid","2009-05-07","2021-03-01","(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",""],["6KN","4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole","C14 H10 F3 N3","c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3;Cc1cnccc1c2cc(cc3[nH]ncc23)C(F)(F)F;Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F","InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)","","2016-04-22","2016-05-20","4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole","2016-05-25"],["NHD","NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE","C21 H26 N6 O15 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(O)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N","InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["6KO","[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate","C18 H19 N5 O3","c4c(C(=O)OCC1N(CCC1)c3ccnc2ncnn23)c(OC)ccc4;COc1ccccc1C(=O)OC[CH]2CCCN2c3ccnc4ncnn34;COc1ccccc1C(=O)OCC2CCCN2c3ccnc4n3ncn4","InChI=1S/C18H19N5O3/c1-25-15-7-3-2-6-14(15)17(24)26-11-13-5-4-10-22(13)16-8-9-19-18-20-12-21-23(16)18/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t13-/m1/s1","","2016-04-22","2016-05-20","[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate","2016-05-25"],["NHE","2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID","C8 H17 N O3 S","O=S(=O)(O)CCNC1CCCCC1;O[S](=O)(=O)CCNC1CCCCC1;C1CCC(CC1)NCCS(=O)(=O)O","InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)","N-CYCLOHEXYLTAURINE; CHES","2001-04-24","2020-06-17","2-(cyclohexylamino)ethanesulfonic acid",""],["6KP","7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole","C16 H11 F N6","n1c(C)c(cc2c1ncn2)n4c3c(nnc3)c5cc(F)ccc45;Cc1nc2[nH]cnc2cc1n3c4c[nH]nc4c5cc(F)ccc35;Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F","InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)","","2016-04-22","2016-05-20","7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole","2016-05-25"],["NHF","1,5-anhydro-D-fructose","C6 H10 O5","O=C1COC(CO)C(O)C1O;OC[CH]1OCC(=O)[CH](O)[CH]1O;C1C(=O)C(C(C(O1)CO)O)O","InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1","","2009-01-20","2020-07-17","1,5-anhydro-D-fructose",""],["6KQ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate","C35 H46 N2 O8 S","c1(ccc(cc1)S(=O)(N(Cc2ccccc2)CC(O)C(CC53CC4CC(C3)CC(C4)C5)NC(OC7C6CCOC6OC7)=O)=O)OC;COc1ccc(cc1)[S](=O)(=O)N(C[CH](O)[CH](CC23CC4CC(CC(C4)C2)C3)NC(=O)O[CH]5CO[CH]6OCC[CH]56)Cc7ccccc7;COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)CC(C(CC34CC5CC(C3)CC(C5)C4)NC(=O)OC6COC7C6CCO7)O","InChI=1S/C35H46N2O8S/c1-42-27-7-9-28(10-8-27)46(40,41)37(20-23-5-3-2-4-6-23)21-31(38)30(19-35-16-24-13-25(17-35)15-26(14-24)18-35)36-34(39)45-32-22-44-33-29(32)11-12-43-33/h2-10,24-26,29-33,38H,11-22H2,1H3,(H,36,39)/t24-,25+,26-,29-,30-,31+,32-,33+,35-/m0/s1","","2016-04-22","2016-09-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate","2016-09-21"],["NHG","BIS-NORESEROLINE","C11 H14 N2 O","Oc1cc2c(cc1)NC3NCCC23C;C[C]12CCN[CH]1Nc3ccc(O)cc23;CC12CCNC1Nc3c2cc(cc3)O","InChI=1S/C11H14N2O/c1-11-4-5-12-10(11)13-9-3-2-7(14)6-8(9)11/h2-3,6,10,12-14H,4-5H2,1H3/t10-,11+/m1/s1","","2011-07-24","2014-05-08","(3aS,8aR)-3a-methyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol",""],["6KR","(3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate","C33 H50 N2 O8 S","O=S(c1ccc(cc1)OC)(N(CC(C)C)CC(O)C(NC(OC2COC3OCCCC23)=O)CC64CC5CC(C4)CC(C5)C6)=O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](CC23CC4CC(CC(C4)C2)C3)NC(=O)O[CH]5CO[CH]6OCCC[CH]56;CC(C)CN(CC(C(CC12CC3CC(C1)CC(C3)C2)NC(=O)OC4COC5C4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC","InChI=1S/C33H50N2O8S/c1-21(2)18-35(44(38,39)26-8-6-25(40-3)7-9-26)19-29(36)28(17-33-14-22-11-23(15-33)13-24(12-22)16-33)34-32(37)43-30-20-42-31-27(30)5-4-10-41-31/h6-9,21-24,27-31,36H,4-5,10-20H2,1-3H3,(H,34,37)/t22-,23+,24-,27-,28-,29+,30-,31+,33-/m0/s1","","2016-04-22","2016-09-16","(3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate","2016-09-21"],["NHH","N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE","C8 H16 N8","N(N=C1/CCC(=NN=C(/N)N)CC1)=C(N)N;NC(N)=NN=C1CCC(CC1)=NN=C(N)N;C1CC(=NN=C(N)N)CCC1=NN=C(N)N","InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4H2,(H4,9,10,15)(H4,11,12,16)/b13-5-,14-6+","","2003-06-17","2014-11-07","N'',N'''''-cyclohexane-1,4-diylidenedicarbonohydrazonic diamide","2014-11-12"],["6KS","heptyl 2-fluoro-alpha-D-mannopyranoside","C13 H25 F O5","CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F;CCCCCCCOC1C(C(C(C(O1)CO)O)O)F","InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-10(14)12(17)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12-,13+/m1/s1","2-Fluoro-Heptylmannoside; heptyl 2-fluoro-alpha-D-mannoside; heptyl 2-fluoro-D-mannoside; heptyl 2-fluoro-mannoside","2016-05-27","2020-07-17","(2~{R},3~{S},4~{S},5~{S},6~{S})-5-fluoranyl-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol","2017-06-21"],["NHI","4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid","C18 H14 N4 O4","O=C(O)c1ccc(cc1)Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3;OC(=O)c1ccc(Nc2ccnc(Nc3ccc(cc3)C(O)=O)n2)cc1;c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O","InChI=1S/C18H14N4O4/c23-16(24)11-1-5-13(6-2-11)20-15-9-10-19-18(22-15)21-14-7-3-12(4-8-14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)","","2012-01-24","2012-08-17","4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid",""],["6KT","2-amino-1,3-benzothiazole-6-carboxamide","C8 H7 N3 O S","c2c1c(nc(N)s1)ccc2C(=O)N;NC(=O)c1ccc2nc(N)sc2c1;c1cc2c(cc1C(=O)N)sc(n2)N","InChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11)","","2016-04-25","2016-06-17","2-amino-1,3-benzothiazole-6-carboxamide","2016-06-22"],["NHJ","4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide","C18 H14 F3 N5 O","FC(F)(F)c1cc(ccc1)Nc2nc(ncc2)Nc3ccc(C(=O)N)cc3;NC(=O)c1ccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)cc1;c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F","InChI=1S/C18H14F3N5O/c19-18(20,21)12-2-1-3-14(10-12)24-15-8-9-23-17(26-15)25-13-6-4-11(5-7-13)16(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26)","","2012-01-25","2012-08-17","4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide",""],["6KU","heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside","C13 H26 O5","CCCCCCCO[CH]1O[CH](CO)C[CH](O)[CH]1O;CCCCCCCOC1C(C(CC(O1)CO)O)O","InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-12(16)11(15)8-10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1","4-Deoxy-Heptylmannoside; heptyl 4-deoxy-4-deoxy-alpha-D-mannoside; heptyl 4-deoxy-4-deoxy-D-mannoside; heptyl\n4-deoxy-4-deoxy-mannoside","2016-05-27","2020-07-17","(2~{S},3~{S},4~{S},6~{S})-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol","2017-06-21"],["NHK","N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide","C11 H16 N2 O6 S","O=S(=O)(N(CC(=O)NO)CCO)c1ccc(OC)cc1;COc1ccc(cc1)[S](=O)(=O)N(CCO)CC(=O)NO;COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO","InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)","","2010-07-15","2011-06-04","N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide",""],["6KV","3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile","C17 H24 N6 S","N#CCCN(c2nc(nc1c2scc1)N(C3CCN(C)CC3)C)C;CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N;CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N","InChI=1S/C17H24N6S/c1-21-10-5-13(6-11-21)23(3)17-19-14-7-12-24-15(14)16(20-17)22(2)9-4-8-18/h7,12-13H,4-6,9-11H2,1-3H3","","2013-11-25","2014-07-10","3-(methyl{2-[methyl(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl}amino)propanenitrile","2014-07-08"],["NHL","(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID","C16 H17 N O4","O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2;N[CH](C[CH](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O;c1ccc2cc(ccc2c1)CC(CC(C(=O)O)N)C(=O)O","InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1","GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID","2007-01-18","2021-03-01","(4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid",""],["6KW","heptyl 3-deoxy-alpha-D-mannopyranoside","C13 H26 O5","CCCCCCCO[CH]1O[CH](CO)[CH](O)C[CH]1O;CCCCCCCOC1C(CC(C(O1)CO)O)O","InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-11(16)8-10(15)12(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1","3-Deoxy-Heptylmannoside; heptyl 3-deoxy-alpha-D-mannoside; heptyl 3-deoxy-D-mannoside; heptyl 3-deoxy-mannoside","2016-05-27","2020-07-17","(2~{S},3~{S},5~{S},6~{R})-2-heptoxy-6-(hydroxymethyl)oxane-3,5-diol","2017-06-21"],["6KX","beta-cyclocitral","C10 H16 O","CC1=C(C=O)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=O","InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3","","2016-05-27","2016-08-24","2,6,6-trimethylcyclohexene-1-carbaldehyde","2016-08-31"],["NHM","S-(2-OXO)PENTADECYLCOA","C36 H64 N7 O17 P3 S","O=C(CCCCCCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t26-,29-,30-,31-,35-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopentadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)",""],["6KY","(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid","C7 H15 N O2 Se","N(C)(C(CC[Se]C)C(=O)O)C;C[Se]CC[CH](N(C)C)C(O)=O;CN(C)C(CC[Se]C)C(=O)O","InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1","","2016-04-25","2016-05-20","(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid","2016-05-25"],["NHN","(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE","C42 H56 N6 O9","O=C(N(C)C)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C2N3C(=O)C(NC(=O)CCc4cccc(OCCOC(C2)C3)c4)C5CCCCC5)CCC;CCC[CH](NC(=O)[CH]1C[CH]2CN1C(=O)[CH](NC(=O)CCc3cccc(OCCO2)c3)C4CCCCC4)C(=O)C(=O)NCC(=O)N[CH](C(=O)N(C)C)c5ccccc5;CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)NC(=O)C2CC3CN2C(=O)C(NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5","InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1","","2006-05-11","2024-09-27","(6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide",""],["NHO","NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE","C26 H35 N8 O18 P2","N[CH](CC(=O)[CH](O)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O;c1c[n+](cc(c1C(C(=O)CC(C(=O)O)N)O)C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C26H34N8O18P2/c27-11(26(42)43)3-12(35)16(36)9-1-2-33(4-10(9)22(29)41)24-19(39)17(37)13(50-24)5-48-53(44,45)52-54(46,47)49-6-14-18(38)20(40)25(51-14)34-8-32-15-21(28)30-7-31-23(15)34/h1-2,4,7-8,11,13-14,16-20,24-25,36-40H,3,5-6,27H2,(H6-,28,29,30,31,41,42,43,44,45,46,47)/p+1/t11-,13+,14+,16-,17+,18+,19+,20+,24+,25+/m0/s1","","2003-08-20","2011-06-04","(2S,5S)-2-amino-5-[3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridin-1-ium-4-yl]-5-hydroxy-4-oxo-pentanoic acid",""],["6KZ","N-[(2S)-4-methyl-1-oxidanylidene-1-[[(1R,2S)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide","C23 H33 N5 O5","O=C(N1CCOCC1)NC(C(=O)NC(C(O)c2nc(on2)c3ccccc3)CC)CC(C)C;CC[CH](NC(=O)[CH](CC(C)C)NC(=O)N1CCOCC1)[CH](O)c2noc(n2)c3ccccc3;CCC(C(c1nc(on1)c2ccccc2)O)NC(=O)C(CC(C)C)NC(=O)N3CCOCC3","InChI=1S/C23H33N5O5/c1-4-17(19(29)20-26-22(33-27-20)16-8-6-5-7-9-16)24-21(30)18(14-15(2)3)25-23(31)28-10-12-32-13-11-28/h5-9,15,17-19,29H,4,10-14H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+/m0/s1","","2013-12-06","2024-09-27","N-[(1R,2S)-1-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide","2014-02-26"],["NHP","4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID","C10 H16 N O3 P S","O=P(O)(O)CCCCSc1ccccc1N;Nc1ccccc1SCCCC[P](O)(O)=O;c1ccc(c(c1)N)SCCCCP(=O)(O)O","InChI=1S/C10H16NO3PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6H,3-4,7-8,11H2,(H2,12,13,14)","","1999-09-01","2011-06-04","{4-[(2-aminophenyl)sulfanyl]butyl}phosphonic acid",""],["6L0","(8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone","C27 H46 N6 O9","C1CC(NCCCCCN(C(CCC(=O)NCCC=CCN(C(CCC(=O)NCCCCCN(C1=O)O)=O)O)=O)O)=O;ON1CCCCCNC(=O)CCC(=O)N(O)CC=CCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O;C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC=CCCNC(=O)CCC(=O)N(CC1)O)O)O","InChI=1S/C27H46N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h1,7,40-42H,2-6,8-21H2,(H,28,34)(H,29,35)(H,30,36)/b7-1+","","2016-04-25","2016-04-29","(8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone","2016-05-04"],["NHQ","(3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL\n[(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C33 H62 N11 O17 P3 S","O=C(NCCCNCCCCNCCCN)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O","InChI=1S/C33H62N11O17P3S/c1-33(2,28(48)31(49)40-14-7-23(45)39-15-16-65-18-24(46)38-13-6-12-37-10-4-3-9-36-11-5-8-34)19-58-64(55,56)61-63(53,54)57-17-22-27(60-62(50,51)52)26(47)32(59-22)44-21-43-25-29(35)41-20-42-30(25)44/h20-22,26-28,32,36-37,47-48H,3-19,34H2,1-2H3,(H,38,46)(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,35,41,42)(H2,50,51,52)/t22-,26-,27-,28+,32-/m1/s1","N1-ACETYLSPERMINE-S-COA","2007-01-23","2020-06-17","(3R)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["6L1","5'-O-[(R)-{[(3S)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine","C14 H21 N6 O8 P","c21n(cnc1c(ncn2)N)C3OC(COP(OC(CC(C)N)=O)(O)=O)C(O)C3O;C[CH](N)CC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(CC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C14H21N6O8P/c1-6(15)2-8(21)28-29(24,25)26-3-7-10(22)11(23)14(27-7)20-5-19-9-12(16)17-4-18-13(9)20/h4-7,10-11,14,22-23H,2-3,15H2,1H3,(H,24,25)(H2,16,17,18)/t6-,7+,10+,11+,14+/m0/s1","","2016-04-26","2017-03-17","5'-O-[(R)-{[(3S)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine","2017-03-22"],["NHR","2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID","C23 H22 N4 O8","O=C(O)C(NC(=O)c1ccc(cc1)C(C(=O)O)Cc3cc2c(nc(nc2O)N)cc3)CCC(=O)O;Nc1nc(O)c2cc(C[CH](C(O)=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)ccc2n1;c1cc(ccc1C(Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17+/m1/s1","(10R)-10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID","1999-07-30","2020-06-17","N-({4-[(1R)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid",""],["6L2","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide","C23 H27 N O7 S2","COC1CC(CCC1)S(NC(c2c(cc(OC)c(c2)c3sc(cc3)C#CCO)OC)=O)(=O)=O;CO[CH]1CCC[CH](C1)[S](=O)(=O)NC(=O)c2cc(c(OC)cc2OC)c3sc(cc3)C#CCO;COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)C3CCCC(C3)OC)OC","InChI=1S/C23H27NO7S2/c1-29-15-6-4-8-17(12-15)33(27,28)24-23(26)19-13-18(20(30-2)14-21(19)31-3)22-10-9-16(32-22)7-5-11-25/h9-10,13-15,17,25H,4,6,8,11-12H2,1-3H3,(H,24,26)/t15-,17-/m1/s1","","2016-04-26","2016-07-01","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide","2016-07-06"],["NHS","10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID","C23 H22 N4 O8","O=C(O)C(NC(=O)c1ccc(cc1)C(C(=O)O)Cc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O;NC1=Nc2ccc(C[CH](C(O)=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(ccc1C(Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m0/s1","","1999-07-30","2011-06-04","N-({4-[(1S)-2-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid",""],["6L3","methyl 2,4,6-trimethylbenzoate","C11 H14 O2","Cc1c(c(cc(c1)C)C)C(=O)OC;COC(=O)c1c(C)cc(C)cc1C;Cc1cc(c(c(c1)C)C(=O)OC)C","InChI=1S/C11H14O2/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3","","2016-04-26","2024-09-27","methyl 2,4,6-trimethylbenzoate","2016-05-04"],["NHT","(3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL","C9 H16 N2 O4 S","N1=C(SC2OC(C(O)C(O)C12)CO)NCC;CCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CCNC1=NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1","","2008-06-10","2011-06-04","(3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol",""],["6L4","~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide","C17 H15 Cl N6 O2","Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1;Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl","InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)","N-(2-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide","2016-04-26","2024-09-27","~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide","2017-02-15"],["NHU","2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide","C18 H16 N6 O2","O=C(N)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)N)cc3;NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1;c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N","InChI=1S/C18H16N6O2/c19-16(25)11-5-7-12(8-6-11)22-18-21-10-9-15(24-18)23-14-4-2-1-3-13(14)17(20)26/h1-10H,(H2,19,25)(H2,20,26)(H2,21,22,23,24)","","2012-01-25","2012-08-17","2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide",""],["6L5","(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)","C20 H28 N8 O8","n1c2n(cnc2c(N)nc1)C3OC(C(=O)NCCCCCC(=O)NC(CC(=O)O)C(N)=O)C(C3O)O;NC(=O)[CH](CC(O)=O)NC(=O)CCCCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCCCCC(=O)NC(CC(=O)O)C(=O)N)O)O)N","InChI=1S/C20H28N8O8/c21-16-12-18(25-7-24-16)28(8-26-12)20-14(33)13(32)15(36-20)19(35)23-5-3-1-2-4-10(29)27-9(17(22)34)6-11(30)31/h7-9,13-15,20,32-33H,1-6H2,(H2,22,34)(H,23,35)(H,27,29)(H,30,31)(H2,21,24,25)/t9-,13+,14-,15+,20-/m1/s1","","2016-04-27","2024-09-27","(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)","2016-05-11"],["NHV","(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium","C15 H20 N3 O4","OCC2[n+]1cc(nc1C(O)C(O)C2O)CNc3ccccc3;OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(CNc3ccccc3)c[n+]12;c1ccc(cc1)NCc2c[n+]3c([nH]2)C(C(C(C3CO)O)O)O","InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/p+1/t11-,12-,13+,14+/m1/s1","","2008-02-20","2011-06-04","(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["6L6","methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)","C10 H10 O2 S2","C(O)(c1cc(ccc1)O)=CC(=S)SC;CSC(=S)C=C(O)c1cccc(O)c1;CSC(=S)C=C(c1cccc(c1)O)O","InChI=1S/C10H10O2S2/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,11-12H,1H3/b9-6-","","2016-04-27","2016-07-29","methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)","2016-08-03"],["NHW","2-oxopentadecyl-CoA","C36 H64 N7 O17 P3 S","O=C(CCCCCCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t26-,29-,30-,31+,35-/m1/s1","","2012-07-09","2012-07-13","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopentadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)",""],["6L7","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{S})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium","C16 H29 N8 O5","Nc1ncnc2n(cnc12)[CH]3O[CH](C[NH+](CC[NH3+])CC[CH]([NH3+])C(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C[NH+](CCC(C(=O)O)[NH3+])CC[NH3+])O)O)N","InChI=1S/C16H26N8O5/c17-2-4-23(3-1-8(18)16(27)28)5-9-11(25)12(26)15(29-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,15,25-26H,1-5,17-18H2,(H,27,28)(H2,19,20,21)/p+3/t8-,9+,11+,12+,15+/m0/s1","","2016-04-28","2018-05-25","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{S})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium","2018-05-30"],["NHX","N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-L-alanyl-L-alaninamide","C24 H32 N4 O5","CC(C)C[CH](CC(=O)NO)C(=O)N[CH](Cc1ccc2ccccc2c1)C(=O)N[CH](C)C(N)=O;CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)C(=O)N","InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19+,20-/m0/s1","","2009-11-09","2011-06-04","(2R)-N-[(2S)-1-[[(2S)-1-azanyl-1-oxo-propan-2-yl]amino]-3-naphthalen-2-yl-1-oxo-propan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide",""],["6L8","(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide","C17 H12 F6 N6 O","c3c(cc(c2ncn(CC(C(=O)N)c1cncnc1)n2)cc3C(F)(F)F)C(F)(F)F;NC(=O)[CH](Cn1cnc(n1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cncnc3;c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CC(c3cncnc3)C(=O)N","InChI=1S/C17H12F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-5,7-8,13H,6H2,(H2,24,30)/t13-/m0/s1","","2016-04-28","2024-09-27","(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide","2016-06-29"],["NHY","N-HYDROXYUREA","C H4 N2 O2","O=C(N)NO;NC(=O)NO;C(=O)(N)NO","InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)","1-HYDROXYUREA","2006-03-22","2020-06-17","1-hydroxyurea",""],["6L9","[(2S)-2,3-diamino-3-oxopropyl]propanedioic acid","C6 H10 N2 O5","OC(C(C(=O)O)CC(C(=O)N)N)=O;N[CH](CC(C(O)=O)C(O)=O)C(N)=O;C(C(C(=O)O)C(=O)O)C(C(=O)N)N","InChI=1S/C6H10N2O5/c7-3(4(8)9)1-2(5(10)11)6(12)13/h2-3H,1,7H2,(H2,8,9)(H,10,11)(H,12,13)/t3-/m0/s1","","2016-04-28","2024-09-27","[(2S)-2,3-diamino-3-oxopropyl]propanedioic acid","2017-05-10"],["NI","NICKEL (II) ION","Ni","[Ni+2];[Ni++];[Ni+2]","InChI=1S/Ni/q+2","","1999-07-08","2011-06-04","nickel(2+)",""],["6LA","methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside","C12 H19 N O8","CC(=O)NC2C(O)C1OC(C(O)=O)(C)OCC1OC2OC;CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C2C(COC(O2)(C)C(=O)O)OC1OC)O","InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1","","2016-04-28","2018-08-10","methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside","2018-08-15"],["6LB","4-ethylmorpholine","C6 H13 N O","CCN1CCOCC1;CCN1CCOCC1;CCN1CCOCC1","InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3","","2016-04-29","2016-08-18","4-ethylmorpholine","2016-08-23"],["NI0","5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","C22 H32 N4 O4 S","O=S(=O)(c2cc(C1=NC(=C(C(=O)N1)CC)CC)c(OCCC)cc2)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(CC)C(=O)N2)CC)[S](=O)(=O)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C","InChI=1S/C22H32N4O4S/c1-5-14-30-20-9-8-16(31(28,29)26-12-10-25(4)11-13-26)15-18(20)21-23-19(7-3)17(6-2)22(27)24-21/h8-9,15H,5-7,10-14H2,1-4H3,(H,23,24,27)","","2012-07-25","2013-06-21","5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","2013-06-26"],["NI1","NICKEL ION, 1 WATER COORDINATED","H2 Ni O","O|[Ni++];[OH2][Ni+2]","InChI=1/Ni.H2O/h;1H2/q+2;/rH2NiO/c1-2/h2H2/q+2","","1999-07-08","2008-10-14","",""],["6LC","9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine","C13 H18 N8 O3","C(CN/C(N)=N)=[C@H]C1C(O)C(O)C(O1)n2cnc3c2ncnc3N;NC(=N)NCC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C=CCNC(=N)N)O)O)N","InChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/b2-1+/t6-,8-,9-,12-/m1/s1","","2016-04-29","2017-05-05","9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine","2017-05-10"],["6LD","Sacubitrilat","C22 H25 N O5","c1(ccc(CC(NC(CCC(=O)O)=O)CC(C)C(O)=O)cc1)c2ccccc2;C[CH](C[CH](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(O)=O)C(O)=O;CC(CC(Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O","InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1","LBQ657","2016-04-29","2021-03-01","(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-[(3-carboxypropanoyl)amino]-2-methylpentanoic acid","2016-06-15"],["NI2","NICKEL (II) ION, 2 WATERS COORDINATED","H4 Ni O2","O|[Ni++]|O;[OH2][Ni+2][OH2]","InChI=1/Ni.2H2O/h;2*1H2/q+2;;/rH4NiO2/c2-1-3/h2-3H2/q+2","","1999-07-13","2008-10-14","",""],["NI3","NICKEL (II) ION, 3 WATERS COORDINATED","H6 Ni O3","O|[Ni++](|O)|O;[OH2][Ni+2]([OH2])[OH2]","InChI=1/Ni.3H2O/h;3*1H2/q+2;;;/rH6NiO3/c2-1(3)4/h2-4H2/q+2","","2002-07-18","2008-10-14","",""],["6LE","(1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol","C8 H10 Cl N O","c1c(ccc(c1)C(CN)O)Cl;NC[CH](O)c1ccc(Cl)cc1;c1cc(ccc1C(CN)O)Cl","InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1","","2016-04-30","2017-03-24","(1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol","2017-03-29"],["NI4","(5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one","C22 H23 N3 O2","CN(CCO)c1ccc(cc1)C=C2N=C(C=Cc3ccccc3)N(C)C2=O;CN1C(=NC(=Cc2ccc(cc2)N(C)CCO)C1=O)C=Cc3ccccc3","InChI=1S/C22H23N3O2/c1-24(14-15-26)19-11-8-18(9-12-19)16-20-22(27)25(2)21(23-20)13-10-17-6-4-3-5-7-17/h3-13,16,26H,14-15H2,1-2H3/b13-10+,20-16-","","2023-01-17","2024-06-14","(5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one","2024-06-19"],["6LF","2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol","C21 H19 Cl2 N5 O2","C[CH](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl;CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)C=Cc4cnn(c4)CCO","InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1","LY2874455","2016-05-01","2020-06-17","2-[4-[(~{E})-2-[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol","2016-10-05"],["NI5","2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one","C21 H28 N4 O4 S","O=S(=O)(c3cc(C1=NC2=C(C(=O)N1)CCC2)c(OCCC)cc3)N4CCN(C)CC4;CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)[S](=O)(=O)N4CCN(C)CC4;CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C","InChI=1S/C21H28N4O4S/c1-3-13-29-19-8-7-15(30(27,28)25-11-9-24(2)10-12-25)14-17(19)20-22-18-6-4-5-16(18)21(26)23-20/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,23,26)","","2012-07-25","2013-06-21","2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one","2013-06-26"],["6LG","(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate","C21 H25 N4 O6 P","c3(c([N+]([O-])=O)ccc(C(OP(N1CC1)(N2CC2)=O)C)c3)Oc4cc(C(=O)N(C)C)ccc4;C[CH](O[P](=O)(N1CC1)N2CC2)c3ccc(c(Oc4cccc(c4)C(=O)N(C)C)c3)[N+]([O-])=O;CC(c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4","InChI=1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1","","2016-05-12","2017-04-28","(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate","2017-05-03"],["NI6","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C31 H39 N3 O3 S","CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccncc1;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2ccncc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCCc3ccncc3","InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(21-25-11-6-4-7-12-25)23-38-28(22-26-13-8-5-9-14-26)29(35)33-18-10-15-24-16-19-32-20-17-24/h4-9,11-14,16-17,19-20,27-28H,10,15,18,21-23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1","","2022-04-04","2022-07-22","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2022-07-27"],["6LH","4-(aminomethyl)benzene-1-sulfonamide","C7 H10 N2 O2 S","S(c1ccc(CN)cc1)(=O)(N)=O;NCc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1CN)S(=O)(=O)N","InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)","","2016-05-02","2017-04-28","4-(aminomethyl)benzene-1-sulfonamide","2017-05-03"],["NI7","(4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione","C20 H21 N3 O4","O=C1C(=O)N(C3CNCC3N1Cc2cccc(O)c2)Cc4cccc(O)c4;Oc1cccc(CN2[CH]3CNC[CH]3N(Cc4cccc(O)c4)C(=O)C2=O)c1;c1cc(cc(c1)O)CN2C3CNCC3N(C(=O)C2=O)Cc4cccc(c4)O","InChI=1S/C20H21N3O4/c24-15-5-1-3-13(7-15)11-22-17-9-21-10-18(17)23(20(27)19(22)26)12-14-4-2-6-16(25)8-14/h1-8,17-18,21,24-25H,9-12H2/t17-,18-/m0/s1","","2011-02-08","2012-01-27","(4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione",""],["6LI","7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate)","C18 H22 Cl N5 O9 P","Clc4ccc(OCC[n+]2c1c(N=C(N)NC1=O)n(c2)C3OC(C(O)C3O)COP(=O)(O)O)cc4;NC1=Nc2n(c[n+](CCOc3ccc(Cl)cc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)Cl","InChI=1S/C18H21ClN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(28,29)30/h1-4,8,11,13-14,17,25-26H,5-7H2,(H4-,20,21,22,27,28,29,30)/p+1/t11-,13-,14-,17-/m1/s1","","2012-02-22","2012-04-06","7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate)",""],["NI8","(4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione","C22 H25 N3 O4","O=C1C(=O)N(C3CNCC3N1Cc2cccc(c2)CO)Cc4cccc(c4)CO;OCc1cccc(CN2[CH]3CNC[CH]3N(Cc4cccc(CO)c4)C(=O)C2=O)c1;c1cc(cc(c1)CO)CN2C3CNCC3N(C(=O)C2=O)Cc4cccc(c4)CO","InChI=1S/C22H25N3O4/c26-13-17-5-1-3-15(7-17)11-24-19-9-23-10-20(19)25(22(29)21(24)28)12-16-4-2-6-18(8-16)14-27/h1-8,19-20,23,26-27H,9-14H2/t19-,20-/m0/s1","","2011-02-19","2012-02-10","(4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione",""],["6LJ","2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile","C24 H26 N4","C1CCN(CC1)CCCNc4c2c(cccc2)nc(c3ccccc3C#N)c4;N#Cc1ccccc1c2cc(NCCCN3CCCCC3)c4ccccc4n2;c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4","InChI=1S/C24H26N4/c25-18-19-9-2-3-10-20(19)24-17-23(21-11-4-5-12-22(21)27-24)26-13-8-16-28-14-6-1-7-15-28/h2-5,9-12,17H,1,6-8,13-16H2,(H,26,27)","","2016-05-02","2017-03-24","2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile","2017-03-29"],["NI9","3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM","C7 H11 F N O7 P2","Fc1ccc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O;OC(C[n+]1cccc(F)c1)([P](O)(O)=O)[P](O)(O)=O;c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F","InChI=1S/C7H10FNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)/p+1","","2007-01-10","2011-06-04","3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium",""],["6LK","1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide","C16 H15 Cl N4 O4 S","c1c(cc(Cl)c(OC)n1)n2nc(C)c3cc(ccc23)C(NS(C)(=O)=O)=O;COc1ncc(cc1Cl)n2nc(C)c3cc(ccc23)C(=O)N[S](C)(=O)=O;Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C","InChI=1S/C16H15ClN4O4S/c1-9-12-6-10(15(22)20-26(3,23)24)4-5-14(12)21(19-9)11-7-13(17)16(25-2)18-8-11/h4-8H,1-3H3,(H,20,22)","","2016-05-02","2017-04-28","1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide","2017-05-03"],["NIA","((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE","C8 H13 N4 O9 P","[O-][N+](=O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O;Nc1n(cnc1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]","InChI=1S/C8H13N4O9P/c9-6-7(12(15)16)10-2-11(6)8-5(14)4(13)3(21-8)1-20-22(17,18)19/h2-5,8,13-14H,1,9H2,(H2,17,18,19)/t3-,4-,5-,8-/m1/s1","4-NITRO-5-AMINOIMIDAZOLE RIBONUCLEOTIDE; NITRO AIR","2005-09-07","2020-06-17","4-nitro-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine",""],["6LL","TETRAKIS-(MU-OXO)-DECA-OXO-TRIMOLYBDENUM","Mo3 O14","O=[Mo]12(=O)(O[Mo](=O)(=O)(=O)(O1)O2)O[Mo](=O)(=O)(=O)(=O)=O;O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O","InChI=1S/3Mo.14O","","2013-06-27","2014-09-05","pentakis(oxidanylidene)-[[1,1,1,3,3-pentakis(oxidanylidene)-2,4,5-trioxa-1$l^{9},3$l^{8}-dimolybdabicyclo[1.1.1]pentan-3-yl]oxy]molybdenum","2014-02-12"],["6LM","(3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid","C15 H22 O5","C12(COC(C)(C1([C@H]=CC(C)CC(O)=O)O)CC(C2)=O)C;C[CH](CC(O)=O)C=C[C]1(O)[C]2(C)CO[C]1(C)CC(=O)C2;CC(CC(=O)O)C=CC1(C2(CC(=O)CC1(OC2)C)C)O","InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-5,10,19H,6-9H2,1-3H3,(H,17,18)/b5-4+/t10-,13-,14-,15+/m1/s1","","2016-05-02","2016-08-12","(3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid","2016-08-17"],["NIB","N-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide","C22 H29 Cl2 N3 O3","ClCC(=O)N1CCC2(CC1)CC(C2)NC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4;c1cc(ccc1NC2(CCOCC2)C(=O)NC3CC4(C3)CCN(CC4)C(=O)CCl)Cl","InChI=1S/C22H29Cl2N3O3/c23-15-19(28)27-9-5-21(6-10-27)13-18(14-21)25-20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,29)","","2022-08-17","2024-09-27","~{N}-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide","2023-09-20"],["NIC","NITROISOCITRIC ACID","C5 H7 N O7","O=C(O)C(O)C([N+]([O-])=O)CC(=O)O;O[CH]([CH](CC(O)=O)[N+]([O-])=O)C(O)=O;C(C(C(C(=O)O)O)[N+](=O)[O-])C(=O)O","InChI=1S/C5H7NO7/c7-3(8)1-2(6(12)13)4(9)5(10)11/h2,4,9H,1H2,(H,7,8)(H,10,11)/t2-,4+/m0/s1","","1999-07-08","2011-06-04","2,3-dideoxy-3-nitro-L-threo-pentaric acid",""],["6LN","ethane-1,2-dithiol","C2 H6 S2","C(S)CS;SCCS;C(CS)S","InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2","","2016-05-02","2024-09-27","ethane-1,2-dithiol","2016-08-10"],["NID","4-NITRO-INDEN-1-ONE","C9 H5 N O3","[O-][N+](=O)c1cccc2c1C=CC2=O;[O-][N+](=O)c1cccc2C(=O)C=Cc12;c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O","InChI=1S/C9H5NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-5H","","1999-12-29","2011-06-04","4-nitro-1H-inden-1-one",""],["6LO","N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide","C26 H27 N5 O2","c12c(c(N)ncn1)c(cn2C3CC(C3)CNC(=O)C)c4cccc(c4)OCc5ccccc5;CC(=O)NCC1CC(C1)n2cc(c3cccc(OCc4ccccc4)c3)c5c(N)ncnc25;CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5","InChI=1S/C26H27N5O2/c1-17(32)28-13-19-10-21(11-19)31-14-23(24-25(27)29-16-30-26(24)31)20-8-5-9-22(12-20)33-15-18-6-3-2-4-7-18/h2-9,12,14,16,19,21H,10-11,13,15H2,1H3,(H,28,32)(H2,27,29,30)","","2016-05-02","2016-05-20","N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide","2016-05-25"],["NIE","nitroethane","C2 H5 N O2","[O-][N+](=O)CC;CC[N+]([O-])=O;CC[N+](=O)[O-]","InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3","","2008-01-09","2011-06-04","nitroethane",""],["6LP","N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine","C17 H17 Cl N6","c1(nc(ncc1)Nc2cc(ccc2)Cl)c3cc(ncc3)NCCN;NCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2;c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN","InChI=1S/C17H17ClN6/c18-13-2-1-3-14(11-13)23-17-22-8-5-15(24-17)12-4-7-20-16(10-12)21-9-6-19/h1-5,7-8,10-11H,6,9,19H2,(H,20,21)(H,22,23,24)","","2016-05-02","2016-05-13","N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine","2016-05-18"],["NIF","2-ethyl-7-piperazin-1-yl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","C11 H15 N5 O S","O=C1C=C(N=C2SC(=NN12)CC)N3CCNCC3;CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3;CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3","InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3","","2010-06-17","2011-06-04","2-ethyl-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",""],["6LQ","2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE","C27 H33 N7 O3 S","O=S(=O)(c4ccc(c3cc(C(=O)Nc1c(ccnc1)CN2CCCC2)c(nc3)N)cc4)N5CCN(C)CC5;CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)c(c3)C(=O)Nc4cnccc4CN5CCCC5;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5","InChI=1S/C27H33N7O3S/c1-32-12-14-34(15-13-32)38(36,37)23-6-4-20(5-7-23)22-16-24(26(28)30-17-22)27(35)31-25-18-29-9-8-21(25)19-33-10-2-3-11-33/h4-9,16-18H,2-3,10-15,19H2,1H3,(H2,28,30)(H,31,35)","","2011-12-15","2014-09-05","2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide",""],["NIG","N-(IMINOMETHYL)-L-GLUTAMIC ACID","C6 H10 N2 O4","O=C(O)CCC(NC=[N@H])C(=O)O;OC(=O)CC[CH](NC=N)C(O)=O;[H]N=CNC(CCC(=O)O)C(=O)O","InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1","N-FORMIMINO-L-GLUTAMATE","2007-05-10","2020-06-17","N-[(Z)-iminomethyl]-L-glutamic acid",""],["6LR","morpholine","C4 H9 N O","N1CCOCC1;C1COCCN1;C1COCCN1","InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2","","2016-05-03","2026-03-26","morpholine","2016-08-23"],["NIH","2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE","C14 H10 F6 N4 O3","FC(F)(F)c1cc(cc(c1)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO;ONC(=O)C1=CN=C(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)NC1=O;c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO","InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)","AZ12194344","2005-10-17","2020-06-17","2-{[3,5-bis(trifluoromethyl)benzyl]amino}-N-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide","2013-11-13"],["6LS","heptyl 2-deoxy-alpha-D-mannopyranoside","C13 H26 O5","CCCCCCCO[CH]1C[CH](O)[CH](O)[CH](CO)O1;CCCCCCCOC1CC(C(C(O1)CO)O)O","InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-12-8-10(15)13(16)11(9-14)18-12/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1","2-Deoxy-Heptylmannoside; heptyl 2-deoxy-alpha-D-mannoside; heptyl 2-deoxy-D-mannoside; heptyl 2-deoxy-mannoside","2016-05-27","2020-07-18","(2~{R},3~{S},4~{R},6~{S})-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol","2017-06-21"],["6LT","3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide","C28 H29 F2 N5 O2","c21cncn1C(C(CCC2)O)c3c(cc(cc3)NC(=O)c4cc(nn4C(C)C)C(F)F)c5ccccc5;CC(C)n1nc(cc1C(=O)Nc2ccc([CH]3[CH](O)CCCc4cncn34)c(c2)c5ccccc5)C(F)F;CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)C4C(CCCc5n4cnc5)O","InChI=1S/C28H29F2N5O2/c1-17(2)35-24(14-23(33-35)27(29)30)28(37)32-19-11-12-21(22(13-19)18-7-4-3-5-8-18)26-25(36)10-6-9-20-15-31-16-34(20)26/h3-5,7-8,11-17,25-27,36H,6,9-10H2,1-2H3,(H,32,37)/t25-,26-/m0/s1","","2016-05-03","2016-10-28","3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide","2016-11-02"],["NII","2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","C30 H42 N6 O6","O=C4c3c2c(c(cc1C(=O)N(C(=O)c(c12)c(NCCCO)c3)CCCN(C)C)NCCCO)C(=O)N4CCCN(C)C;CN(C)CCCN1C(=O)c2cc(NCCCO)c3C(=O)N(CCCN(C)C)C(=O)c4cc(NCCCO)c(C1=O)c2c34;CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO","InChI=1S/C30H42N6O6/c1-33(2)11-7-13-35-27(39)19-17-22(32-10-6-16-38)26-24-20(28(40)36(30(26)42)14-8-12-34(3)4)18-21(31-9-5-15-37)25(23(19)24)29(35)41/h17-18,31-32,37-38H,5-16H2,1-4H3","","2008-02-28","2011-06-04","2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone",""],["NIJ","3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide","C15 H15 F N2 O","O=C(Nc1cnccc1C)CCc1cccc(F)c1;Cc1ccncc1NC(=O)CCc2cccc(F)c2;Cc1ccncc1NC(=O)CCc2cccc(c2)F","InChI=1S/C15H15FN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)","","2023-08-16","2023-11-03","3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["6LU","4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide","C15 H17 N3 O3 S","Cc1cc(cc(c1)C)NC(=O)Nc2ccc(S(=O)(=O)N)cc2;Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1;Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)","","2016-05-03","2017-04-28","4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide","2017-05-03"],["NIK","PENTAAQUANICKEL","H10 Ni O5","O|[Ni++](|O)(|O)(|O)|O;[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2]","InChI=1/Ni.5H2O/h;5*1H2/q+2;;;;;/rH10NiO5/c2-1(3,4,5)6/h2-6H2/q+2","","1999-07-08","2008-10-14","",""],["6LV","5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine","C18 H17 N5 O2","n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(OC)cc(OC)c4;COc1cc(Cc2nc3ccccc3c4nc(N)nn24)cc(OC)c1;COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N","InChI=1S/C18H17N5O2/c1-24-12-7-11(8-13(10-12)25-2)9-16-20-15-6-4-3-5-14(15)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22)","","2014-04-03","2014-07-03","5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine","2014-07-08"],["NIL","Nilotinib","C28 H22 F3 N7 O","FC(F)(F)c1cc(cc(c1)n2cc(nc2)C)NC(=O)c5ccc(c(Nc4nc(c3cccnc3)ccn4)c5)C;Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F;Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F","InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)","4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide","2008-04-11","2021-03-01","4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide",""],["6LW","(Z)-L-Arabinonhydroximo-1,4-lactone","C5 H9 N O5","OC[CH]1OC(=NO)[CH](O)[CH]1O;C(C1C(C(C(=NO)O1)O)O)O","InChI=1S/C5H9NO5/c7-1-2-3(8)4(9)5(6-10)11-2/h2-4,7-10H,1H2/b6-5-/t2-,3-,4+/m0/s1","(2~{Z},3~{R},4~{R},5~{S})-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol","2016-05-03","2020-07-17","(2~{Z},3~{R},4~{R},5~{S})-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol","2016-08-10"],["6LX","N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide","C31 H33 Cl N2 O3","O=C(c1ccc(cc1)C)N(CCCN)C(C=3Oc2cc(Cl)ccc2C(=O)C=3Cc4ccccc4)C(C)C;CC(C)[CH](N(CCCN)C(=O)c1ccc(C)cc1)C2=C(Cc3ccccc3)C(=O)c4ccc(Cl)cc4O2;Cc1ccc(cc1)C(=O)N(CCCN)C(C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C","InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1","","2012-04-29","2014-09-12","N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide","2013-05-15"],["NIM","4-NITRO-2-PHENOXYMETHANESULFONANILIDE","C13 H12 N2 O5 S","[O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C;C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O;CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]","InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3","NIMESULIDE","2005-06-20","2020-06-17","N-(4-nitro-2-phenoxyphenyl)methanesulfonamide",""],["NIN","DINITROPHENYLENE","C6 H4 N2 O4","O=[N+]([O-])c1cccc([N+]([O-])=O)c1;[O-][N+](=O)c1cccc(c1)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H","","2001-01-26","2024-09-27","1,3-dinitrobenzene",""],["6LY","(1S)-2-amino-1-(4-bromophenyl)ethan-1-ol","C8 H10 Br N O","c1cc(ccc1Br)C(CN)O;NC[CH](O)c1ccc(Br)cc1;c1cc(ccc1C(CN)O)Br","InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1","","2016-05-03","2017-03-24","(1S)-2-amino-1-(4-bromophenyl)ethan-1-ol","2017-03-29"],["NIO","NICOTINIC ACID","C6 H5 N O2","O=C(O)c1cccnc1;OC(=O)c1cccnc1;c1cc(cnc1)C(=O)O","InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)","","1999-07-08","2024-10-02","pyridine-3-carboxylic acid",""],["6LZ","2-amino-1-(4-fluorophenyl)ethan-1-one","C8 H8 F N O","c1c(F)ccc(c1)C(=O)CN;NCC(=O)c1ccc(F)cc1;c1cc(ccc1C(=O)CN)F","InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2","","2016-05-03","2017-03-24","2-amino-1-(4-fluorophenyl)ethan-1-one","2017-03-29"],["NIP","4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION","C14 H16 I N2 O6","Ic1cc(cc([N+]([O-])=O)c1O)CC(=O)NCCCCCC([O-])=O;Oc1c(I)cc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O;c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-]","InChI=1S/C14H17IN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)/p-1","","1999-07-08","2011-06-04","6-{[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]amino}hexanoate",""],["6M0","MO(6)-O(26) Cluster","H16 Mo6 O26","O[Mo]1O[Mo](O)(O)(O)(O[Mo](O)(O)(O)O)O[Mo](O)(O)(O)(O1)O[Mo]2(O)(O)(OO2)O[Mo]3(O)(O)(O)OO3;O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O","InChI=1S/6Mo.2O2.16H2O.6O/c;;;;;;2*1-2;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;16*1H2;;;;;;/q+1;2*+3;2*+4;+5;2*-2;;;;;;;;;;;;;;;;;;;;;;/p-16","","2012-06-28","2014-05-29","[4-[[3,3-bis(oxidanyl)-3-[[3,3,3-tris(oxidanyl)-1,2-dioxa-3$l^{6}-molybdacycloprop-3-yl]oxy]-1,2-dioxa-3$l^{6}-molybdacycloprop-3-yl]oxy]-2,2,2,4,4,4,6-heptakis(oxidanyl)-1,3,5-trioxa-2$l^{6},4$l^{6},6$l^{3}-trimolybdacyclohex-2-yl]oxy-tetrakis(oxidanyl)molybdenum",""],["NIQ","6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione","C13 H22 N4 O2","O=C1C(=C(N)N(C(=O)N1)CCCC)NC2CCCC2;CCCCN1C(=O)NC(=O)C(=C1N)NC2CCCC2;CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N","InChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)","","2012-07-18","2014-09-05","6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione","2012-10-26"],["6M1","2-amino-6-methylbenzoic acid","C8 H9 N O2","O=C(O)c1c(cccc1N)C;Cc1cccc(N)c1C(O)=O;Cc1cccc(c1C(=O)O)N","InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)","","2013-11-15","2014-04-18","2-amino-6-methylbenzoic acid","2014-04-23"],["NIR","3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM","C11 H18 N2 O4","O=C(N)C1C=CCN(C1)C2OC(C(O)C2O)C;C[CH]1O[CH]([CH](O)[CH]1O)N2CC=C[CH](C2)C(N)=O;CC1C(C(C(O1)N2CC=CC(C2)C(=O)N)O)O","InChI=1S/C11H18N2O4/c1-6-8(14)9(15)11(17-6)13-4-2-3-7(5-13)10(12)16/h2-3,6-9,11,14-15H,4-5H2,1H3,(H2,12,16)/t6-,7+,8-,9-,11+/m1/s1","","2002-05-21","2011-06-04","(3S)-1-(5-deoxy-alpha-D-ribofuranosyl)-1,2,3,6-tetrahydropyridine-3-carboxamide",""],["6M3","2'-chloro-6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile","C21 H18 Cl N3 O","c21cncn1C(C(CCC2)O)c3c(cc(C#N)cc3)c4c(Cl)cccc4;O[CH]1CCCc2cncn2[CH]1c3ccc(cc3c4ccccc4Cl)C#N;c1ccc(c(c1)c2cc(ccc2C3C(CCCc4n3cnc4)O)C#N)Cl","InChI=1S/C21H18ClN3O/c22-19-6-2-1-5-16(19)18-10-14(11-23)8-9-17(18)21-20(26)7-3-4-15-12-24-13-25(15)21/h1-2,5-6,8-10,12-13,20-21,26H,3-4,7H2/t20-,21-/m0/s1","","2016-05-04","2016-10-28","2'-chloro-6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile","2016-11-02"],["NIS","2-NITROPROPANE","C3 H7 N O2","[O-][N+](=O)C(C)C;CC(C)[N+]([O-])=O;CC(C)[N+](=O)[O-]","InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3","","2006-04-05","2011-06-04","2-nitropropane",""],["6M4","1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium","C7 H8 B O3","c1c2c(ccc1)[B+](OC2)(O)O;O[B-]1(O)OCc2ccccc12;[B-]1(c2ccccc2CO1)(O)O","InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1","","2016-05-04","2024-09-27","1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium","2016-10-19"],["NIT","4-NITROANILINE","C6 H6 N2 O2","O=[N+]([O-])c1ccc(N)cc1;Nc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1N)[N+](=O)[O-]","InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2","PARANITROANILINE","1999-07-08","2024-09-27","4-nitroaniline",""],["6M5","(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","C33 H40 N6 O4","COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C5CCCCCC5)C(=O)[CH]6CC=CC[CH]46;COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)C5C4CC=CC5)C6CCCCCC6","InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1","","2016-05-27","2017-11-24","(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2017-11-29"],["NIU","6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE","C19 H22 O3","O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCCC3;CC[CH](c1ccccc1)C2=C(O)C3=C(CCCCC3)OC2=O;CCC(c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O","InChI=1S/C19H22O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14,20H,2,4,7-8,11-12H2,1H3/t14-/m0/s1","","1999-07-08","2011-06-04","4-hydroxy-3-[(1S)-1-phenylpropyl]-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one",""],["6M6","S-[(2-phenylethyl)carbamothioyl]-L-cysteine","C12 H16 N2 O2 S2","S(C(NCCc1ccccc1)=S)CC(C(O)=O)N;N[CH](CSC(=S)NCCc1ccccc1)C(O)=O;c1ccc(cc1)CCNC(=S)SCC(C(=O)O)N","InChI=1S/C12H16N2O2S2/c13-10(11(15)16)8-18-12(17)14-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1","","2016-05-05","2024-09-27","S-[(2-phenylethyl)carbamothioyl]-L-cysteine","2016-10-12"],["NIV","NEVIRAPINE","C15 H14 N4 O","O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C;Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12;Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4","InChI=1/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)/f/h18H","","1999-07-08","2008-10-14","11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one",""],["6M8","7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine","C20 H23 N3 O","CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1;CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N","InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)","","2015-08-20","2015-10-23","7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine","2015-10-28"],["NIW","2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","C21 H24 N2 O7","O=C(c1c(c(c(nc1C)C)C(OC(C)C)=O)c2cc([N+]([O-])=O)ccc2)OCCOC;COCCOC(=O)c1c(C)nc(C)c(C(=O)OC(C)C)c1c2cccc(c2)[N+]([O-])=O;Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC","InChI=1S/C21H24N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12H,9-10H2,1-5H3","Nimodipine M (dehydro)","2017-12-12","2020-06-17","2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","2019-03-13"],["6M9","2,1-benzoxaborol-1(3H)-ol","C7 H7 B O2","c21B(OCc1cccc2)O;OB1OCc2ccccc12;B1(c2ccccc2CO1)O","InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2","","2016-05-05","2024-09-27","2,1-benzoxaborol-1(3H)-ol","2016-10-19"],["NIX","NALIDIXIC ACID","C12 H12 N2 O3","O=C2c1c(nc(cc1)C)N(C=C2C(=O)O)CC;CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12;CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O","InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)","","2005-04-26","2011-06-04","1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",""],["6MA","N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O;CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2003-02-05","2011-06-04","2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)",""],["NIY","META-NITRO-TYROSINE","C9 H10 N2 O5","O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N;N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O","InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1","","2001-10-24","2024-09-27","3-nitro-L-tyrosine",""],["6MB","4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide","C18 H18 N8 O4 S","c12nc(cnc1N=C(NC2=O)N)CNc3ccc(cc3)S(Nc4onc(c4C)C)(=O)=O;Cc1noc(N[S](=O)(=O)c2ccc(NCc3cnc4N=C(N)NC(=O)c4n3)cc2)c1C;Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C","InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27)","","2016-05-05","2016-08-05","4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide","2016-08-10"],["NIZ","pyridine-4-carbohydrazide","C6 H7 N3 O","O=C(NN)c1ccncc1;NNC(=O)c1ccncc1;c1cnccc1C(=O)NN","InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)","isonicotinic acid hydrazid","2010-05-21","2021-03-01","pyridine-4-carbohydrazide",""],["6MC","CIS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O;CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2003-03-19","2010-03-29","2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)",""],["NJ0","(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide","C31 H32 N4 O2 S","O=C(Cc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCc1cccnc1;O=C(Cc1cccnc1)N[CH](CS[CH](Cc2ccccc2)C(=O)NCc3cccnc3)Cc4ccccc4;c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCc3cccnc3)NC(=O)Cc4cccnc4","InChI=1S/C31H32N4O2S/c36-30(19-26-13-7-15-32-20-26)35-28(17-24-9-3-1-4-10-24)23-38-29(18-25-11-5-2-6-12-25)31(37)34-22-27-14-8-16-33-21-27/h1-16,20-21,28-29H,17-19,22-23H2,(H,34,37)(H,35,36)/t28-,29+/m0/s1","","2022-04-04","2022-07-22","(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide","2022-07-27"],["6MD","N-methyladenosine","C11 H15 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC;CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1","","2013-07-17","2013-11-01","N-methyladenosine","2013-11-06"],["NJ1","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C31 H44 N2 O9 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](O)CO;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O","InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28-,29-,30+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6ME","(6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine","C9 H14 N4","n1c2c(c(nc1N)N)CC(CC2)C;C[CH]1CCc2nc(N)nc(N)c2C1;CC1CCc2c(c(nc(n2)N)N)C1","InChI=1S/C9H14N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1","","2011-04-07","2012-01-20","(6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine",""],["6MG","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2,3,3-trimethylbutyl]-L-leucinamide","C22 H38 N3 O5 P","C(CC(C)C)(C(=O)NCC(C(C)(C)C)C)NP(=O)(CNC(=O)OCc1ccccc1)O;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC[CH](C)C(C)(C)C;CC(C)CC(C(=O)NCC(C)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C22H38N3O5P/c1-16(2)12-19(20(26)23-13-17(3)22(4,5)6)25-31(28,29)15-24-21(27)30-14-18-10-8-7-9-11-18/h7-11,16-17,19H,12-15H2,1-6H3,(H,23,26)(H,24,27)(H2,25,28,29)/t17-,19+/m1/s1","","2016-05-09","2016-12-16","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2,3,3-trimethylbutyl]-L-leucinamide","2016-12-21"],["NJ2","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide","C28 H24 F N7 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5cnccc5n4)n2c6ccccc6F;CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5","InChI=1S/C28H24FN7O2/c1-2-38-20-8-10-23(31-16-20)27-35-34-26(36(27)25-6-4-3-5-21(25)29)18-13-19(14-18)32-28(37)24-9-7-17-15-30-12-11-22(17)33-24/h3-12,15-16,18-19H,2,13-14H2,1H3,(H,32,37)/t18-,19-","","2019-11-29","2020-07-03","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide","2020-07-08"],["NJ3","2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone","C25 H35 Cl2 N3 O3","C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3;CC1CC(CC(O1)C)(C(=O)N2CCC3(CCN(CC3)C(=O)CCl)CC2)Nc4ccc(cc4)Cl","InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+","","2022-08-17","2024-09-27","2-chloranyl-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone","2023-09-20"],["6MH","1-hydroxy-6-methylpyridine-2(1H)-thione","C6 H7 N O S","S=C1C=CC=C(N1O)C;CC1=CC=CC(=S)N1O;CC1=CC=CC(=S)N1O","InChI=1S/C6H7NOS/c1-5-3-2-4-6(9)7(5)8/h2-4,8H,1H3","","2014-04-29","2015-03-06","1-hydroxy-6-methylpyridine-2(1H)-thione","2015-03-11"],["NJ4","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C29 H40 N2 O8 S","CC(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(C)O)(=O)=O)C;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-22(10-12-23)20(3)32)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-18-38-28-24(27)13-14-37-28/h4-12,19-20,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t20-,24+,25+,26-,27+,28-/m1/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6MI","6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINE","C12 H16 N5 O8 P","O=C2N=C(N)NC=1N(C(=O)C(=NC=12)C)C3OC(C(O)C3)COP(=O)(O)O;CC1=NC2=C(NC(=NC2=O)N)N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C1=O;CC1=NC2=C(NC(=NC2=O)N)N(C1=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H16N5O8P/c1-4-11(20)17(9-8(14-4)10(19)16-12(13)15-9)7-2-5(18)6(25-7)3-24-26(21,22)23/h5-7,18H,2-3H2,1H3,(H2,21,22,23)(H3,13,15,16,19)/t5?,6-,7-/m1/s1","","2003-06-03","2011-06-04","2-amino-8-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-6-methylpteridine-4,7(1H,8H)-dione",""],["NJ5","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","C25 H42 N4 O18 P2","CCCC(=O)NCCCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CCCC(=O)NCCCCCC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C25H42N4O18P2/c1-2-6-15(31)26-9-5-3-4-7-16(32)27-18-21(36)19(34)13(11-30)45-24(18)46-49(41,42)47-48(39,40)43-12-14-20(35)22(37)23(44-14)29-10-8-17(33)28-25(29)38/h8,10,13-14,18-24,30,34-37H,2-7,9,11-12H2,1H3,(H,26,31)(H,27,32)(H,39,40)(H,41,42)(H,28,33,38)/t13-,14-,18-,19-,20-,21-,22-,23-,24-/m1/s1","","2019-11-29","2020-02-28","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","2020-03-04"],["6MJ","methyl beta-D-xylopyranoside","C6 H12 O5","COC1OCC(C(C1O)O)O;CO[CH]1OC[CH](O)[CH](O)[CH]1O;COC1C(C(C(CO1)O)O)O","InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1","methyl beta-D-xyloside; methyl D-xyloside; methyl xyloside","2016-05-09","2020-07-17","methyl beta-D-xylopyranoside","2017-05-24"],["NJ6","2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C20 H30 N6 O","CN(C)C(=O)c1cc2cnc(N[CH]3CC[CH](N)CC3)nc2n1C4CCCC4;CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)NC4CCC(CC4)N","InChI=1S/C20H30N6O/c1-25(2)19(27)17-11-13-12-22-20(23-15-9-7-14(21)8-10-15)24-18(13)26(17)16-5-3-4-6-16/h11-12,14-16H,3-10,21H2,1-2H3,(H,22,23,24)/t14-,15-","","2023-01-17","2024-01-19","2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2024-01-24"],["6MK","(2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid","C17 H15 N3 O4","O=C(c1c(ccnc1)Cc2ccccc2)NNC(=O)C=CC(=O)O;OC(=O)C=CC(=O)NNC(=O)c1cnccc1Cc2ccccc2;c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)C=CC(=O)O","InChI=1S/C17H15N3O4/c21-15(6-7-16(22)23)19-20-17(24)14-11-18-9-8-13(14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)(H,20,24)(H,22,23)/b7-6+","SHF-3","2014-04-09","2020-06-17","(2E)-4-{2-[(4-benzylpyridin-3-yl)carbonyl]hydrazinyl}-4-oxobut-2-enoic acid","2014-10-01"],["6ML","oxygen-damaged SF4","Fe4 O2 S4","S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2;O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]","InChI=1S/4Fe.2O.H2S.3S/h;;;;;;1H2;;;/q;;;+1;;;;;;/p-1","","2016-05-09","2024-09-27","","2017-03-22"],["NJ7","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C30 H42 N2 O9 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](O)CO;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O","InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27+,28-,29+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2019-08-21"],["NJ8","3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile","C16 H14 Cl N O2","Clc2cc(C#N)ccc2Oc1ccc(cc1O)CCC;CCCc1ccc(Oc2ccc(cc2Cl)C#N)c(O)c1;CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N","InChI=1S/C16H14ClNO2/c1-2-3-11-4-7-16(14(19)9-11)20-15-6-5-12(10-18)8-13(15)17/h4-9,19H,2-3H2,1H3","","2010-06-21","2011-06-04","3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile",""],["6MM","6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name)","C21 H26 N6 O6","C6(OCC4(OC(CNc3nc2cc1C(=O)NC(N)=Nc1cc2n3)C5OC(OC45)(C)C)O6)(C)C;CC1(C)O[CH]2[CH](CNc3[nH]c4cc5C(=O)NC(=Nc5cc4n3)N)O[C]6(COC(C)(C)O6)[CH]2O1;CC1(OCC2(O1)C3C(C(O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C","InChI=1S/C21H26N6O6/c1-19(2)29-8-21(33-19)15-14(31-20(3,4)32-15)13(30-21)7-23-18-25-11-5-9-10(6-12(11)26-18)24-17(22)27-16(9)28/h5-6,13-15H,7-8H2,1-4H3,(H2,23,25,26)(H3,22,24,27,28)/t13-,14-,15-,21+/m1/s1","","2016-05-09","2017-05-19","6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name)","2017-05-24"],["NJ9","3-(4-{[(5S)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)propanoic acid","C18 H25 N5 O4","N=C(N)c1ccc(cc1)N1CC(CN2CCN(CCC(=O)O)CC2)OC1=O;NC(=N)c1ccc(cc1)N2C[CH](CN3CCN(CC3)CCC(O)=O)OC2=O;c1cc(ccc1C(=N)N)N2CC(OC2=O)CN3CCN(CC3)CCC(=O)O","InChI=1S/C18H25N5O4/c19-17(20)13-1-3-14(4-2-13)23-12-15(27-18(23)26)11-22-9-7-21(8-10-22)6-5-16(24)25/h1-4,15H,5-12H2,(H3,19,20)(H,24,25)/t15-/m0/s1","","2022-04-04","2022-08-12","3-(4-{[(5S)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)propanoic acid","2022-08-17"],["6MN","2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose","C6 H14 N O8 P","O=P(O)(O)OCC1OC(O)C(N)C(O)C1O;N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O","InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6+/m1/s1","Mannosamine-6-phosphate; 6-O-phosphono-alpha-D-mannosamine; 2-amino-2-deoxy-6-O-phosphono-alpha-D-mannose;\n2-amino-2-deoxy-6-O-phosphono-D-mannose; 2-amino-2-deoxy-6-O-phosphono-mannose","2009-05-13","2020-07-17","2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose",""],["NJA","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C29 H40 N2 O8 S","C(C(C(Cc1ccccc1)NC(OC3C2CCOC2OC3)=O)O)N(CC(C)C)S(c4ccc(cc4)C(C)O)(=O)=O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](C)O;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O","InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-22(10-12-23)20(3)32)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-18-38-28-24(27)13-14-37-28/h4-12,19-20,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t20-,24-,25-,26+,27-,28+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6MO","MOLYBDENUM(VI) ION","Mo","[Mo+6];[Mo+6];[Mo+6]","InChI=1S/Mo/q+6","","1999-07-08","2020-05-30","molybdenum(6+)",""],["NJB","~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide","C28 H24 Cl N7 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6Cl;CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6","InChI=1S/C28H24ClN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-","","2019-11-29","2020-07-03","~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide","2020-07-08"],["6MP","6-METHYLPURINE","C6 H6 N4","n1c(c2c(nc1)ncn2)C;Cc1ncnc2nc[nH]c12;Cc1c2c(nc[nH]2)ncn1","InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)","","1999-07-08","2011-06-04","6-methyl-7H-purine",""],["NJC","(2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide","C25 H35 Cl2 N3 O3","C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)NCC3CC4(CCN(CC4)C(=O)CCl)C3;CC1CC(CC(O1)C)(C(=O)NCC2CC3(C2)CCN(CC3)C(=O)CCl)Nc4ccc(cc4)Cl","InChI=1S/C25H35Cl2N3O3/c1-17-11-25(12-18(2)33-17,29-21-5-3-20(27)4-6-21)23(32)28-16-19-13-24(14-19)7-9-30(10-8-24)22(31)15-26/h3-6,17-19,29H,7-16H2,1-2H3,(H,28,32)/t17-,18+,25+","","2022-08-17","2024-09-27","(2~{S},6~{R})-~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide","2023-09-20"],["6MQ","methyl 5-[(6-amino-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranoside","C18 H22 N6 O5","COC4C5C(C(CNc3nc1c(cc2c(c1)N=C(NC2=O)N)n3)O4)OC(O5)(C)C;CO[CH]1O[CH](CNc2[nH]c3cc4N=C(N)NC(=O)c4cc3n2)[CH]5OC(C)(C)O[CH]15;CC1(OC2C(OC(C2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C","InChI=1S/C18H22N6O5/c1-18(2)28-12-11(27-15(26-3)13(12)29-18)6-20-17-22-9-4-7-8(5-10(9)23-17)21-16(19)24-14(7)25/h4-5,11-13,15H,6H2,1-3H3,(H2,20,22,23)(H3,19,21,24,25)/t11-,12-,13-,15-/m1/s1","","2016-05-09","2017-05-19","methyl 5-[(6-amino-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranoside","2017-05-24"],["NJD","N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine","C21 H20 N8 O","n2cc1cc(ccc1n2)Nc3nc(nc(OC)n3)NCCc5c4ccccc4nc5;COc1nc(NCCc2c[nH]c3ccccc23)nc(Nc4ccc5[nH]ncc5c4)n1;COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5","InChI=1S/C21H20N8O/c1-30-21-27-19(22-9-8-13-11-23-18-5-3-2-4-16(13)18)26-20(28-21)25-15-6-7-17-14(10-15)12-24-29-17/h2-7,10-12,23H,8-9H2,1H3,(H,24,29)(H2,22,25,26,27,28)","","2013-11-18","2014-05-16","N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine","2014-05-21"],["6MR","N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D-TRYPTOPHAN","C23 H19 I N2 O4 S","Ic1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(C(=O)O)Cc4c3ccccc3nc4;OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(cc3)c4ccc(I)cc4;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I","InChI=1S/C23H19IN2O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)31(29,30)26-22(23(27)28)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25-26H,13H2,(H,27,28)/t22-/m1/s1","","2007-02-16","2011-06-04","N-[(4'-iodobiphenyl-4-yl)sulfonyl]-D-tryptophan",""],["6MS","[6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid","C11 H18 N5 O4 P","C(CCCCCP(O)(=O)O)n2c1N=C(NC(=O)c1nc2)N;NC1=Nc2n(CCCCCC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C11H18N5O4P/c12-11-14-9-8(10(17)15-11)13-7-16(9)5-3-1-2-4-6-21(18,19)20/h7H,1-6H2,(H2,18,19,20)(H3,12,14,15,17)","9-[7-(phosphonoheptyl]guanine","2016-05-09","2020-06-17","[6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid","2016-11-09"],["NJE","N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide","C13 H19 N3 O","O=C(CN1CCCCC1)Nc1cnccc1C;Cc1ccncc1NC(=O)CN2CCCCC2;Cc1ccncc1NC(=O)CN2CCCCC2","InChI=1S/C13H19N3O/c1-11-5-6-14-9-12(11)15-13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,17)","","2023-08-16","2023-11-03","N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide","2023-11-08"],["NJF","(1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid","C18 H24 N4 O3","O=C(O)CC1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N;NC(=N)c1ccc(cc1)C2=NO[CH](CN3CCC(CC3)CC(O)=O)C2;c1cc(ccc1C2=NOC(C2)CN3CCC(CC3)CC(=O)O)C(=N)N","InChI=1S/C18H24N4O3/c19-18(20)14-3-1-13(2-4-14)16-10-15(25-21-16)11-22-7-5-12(6-8-22)9-17(23)24/h1-4,12,15H,5-11H2,(H3,19,20)(H,23,24)/t15-/m0/s1","","2022-04-04","2022-08-12","(1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid","2022-08-17"],["6MT","TRANS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O;CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h12,18-19H","","2003-03-19","2009-10-20","2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)",""],["NJG","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C30 H42 N2 O9 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](O)CO;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O","InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27-,28-,29+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2019-08-21"],["6MU","6-methylpyrimidine-2,4-diol","C5 H6 N2 O2","Oc1nc(O)nc(c1)C;Cc1cc(O)nc(O)n1;Cc1cc(nc(n1)O)O","InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)","","2013-04-24","2014-05-02","6-methylpyrimidine-2,4-diol","2014-05-07"],["NJH","~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide","C23 H18 Cl N7 O","Clc1ccccc1n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6;c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl","InChI=1S/C23H18ClN7O/c24-15-5-1-2-7-18(15)31-19(16-8-10-25-14-27-16)29-30-21(31)22-11-23(12-22,13-22)28-20(32)17-6-3-4-9-26-17/h1-10,14H,11-13H2,(H,28,32)/t22-,23+","","2019-11-29","2020-07-03","~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide","2020-07-08"],["6MV","4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide","C30 H23 F N4 O3","c6c5c1c(c(ccc1c2cccc(c2F)N4C(=O)c3c(cccc3)N=C4)C(N)=O)nc5cc(C(C)(C)O)c6;CC(C)(O)c1ccc2c([nH]c3c(ccc(c4cccc(N5C=Nc6ccccc6C5=O)c4F)c23)C(N)=O)c1;CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O","InChI=1S/C30H23FN4O3/c1-30(2,38)16-10-11-19-23(14-16)34-27-21(28(32)36)13-12-17(25(19)27)18-7-5-9-24(26(18)31)35-15-33-22-8-4-3-6-20(22)29(35)37/h3-15,34,38H,1-2H3,(H2,32,36)","","2016-05-09","2016-08-24","4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide","2016-08-31"],["6MW","(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid","C9 H10 N2 O2 S","c1c(ccnc1)C2SCC(C(O)=O)N2;OC(=O)[CH]1CS[CH](N1)c2ccncc2;c1cnccc1C2NC(CS2)C(=O)O","InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8+/m1/s1","","2016-05-09","2016-08-05","(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid","2016-08-10"],["NJI","2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone","C21 H27 Cl2 N3 O3","ClCC(=O)N1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1;c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CN(C4)C(=O)CCl)Cl","InChI=1S/C21H27Cl2N3O3/c22-13-18(27)26-14-20(15-26)5-9-25(10-6-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2","","2022-08-17","2024-09-27","2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone","2023-09-20"],["NJJ","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C31 H44 N2 O9 S","C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(CO)O)(=O)=O)CC;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH](O)CO;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O","InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28+,29-,30+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6MX","2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid","C28 H39 N3 O4 S","OC(=O)C[CH]1CCN(C1)c2ccc(C(=O)N[CH]3[CH]4CC5C[CH]3CC(O)(C5)C4)c(SC6CCCCC6)n2;c1cc(nc(c1C(=O)NC2C3CC4CC2CC(C4)(C3)O)SC5CCCCC5)N6CCC(C6)CC(=O)O","InChI=1S/C28H39N3O4S/c32-24(33)12-17-8-9-31(16-17)23-7-6-22(27(29-23)36-21-4-2-1-3-5-21)26(34)30-25-19-10-18-11-20(25)15-28(35,13-18)14-19/h6-7,17-21,25,35H,1-5,8-16H2,(H,30,34)(H,32,33)/t17-,18-,19-,20+,25-,28-/m1/s1","","2016-05-30","2016-12-09","2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid","2016-12-14"],["NJK","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide","C28 H24 F N7 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5ncccc5n4)n2c6ccccc6F;CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6","InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(31-16-19)27-35-34-26(36(27)25-8-4-3-6-20(25)29)17-14-18(15-17)32-28(37)24-12-11-21-22(33-24)7-5-13-30-21/h3-13,16-18H,2,14-15H2,1H3,(H,32,37)/t17-,18-","","2019-11-29","2020-07-03","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide","2020-07-08"],["6MY","(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol","C15 H18 N2 O5","c1(ccccc1)c3nc(C2OC(CO)C(O)C(C2O)O)nc3;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(cn2)c3ccccc3;c1ccc(cc1)c2cnc([nH]2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)15-16-6-9(17-15)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14-/m1/s1","","2016-05-10","2016-08-18","(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol","2016-08-23"],["NJL","(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one","C19 H14 F2 N2 O3","CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(O)cc3;CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccc(cc3)O","InChI=1S/C19H14F2N2O3/c1-23-17(7-4-11-2-5-13(24)6-3-11)22-16(19(23)26)10-12-8-14(20)18(25)15(21)9-12/h2-10,24-25H,1H3/b7-4+,16-10-","","2023-01-17","2024-06-14","(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one","2024-06-19"],["6MZ","N6-METHYLADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","c1nc2c(c(n1)NC)ncn2C3OC(COP(O)(=O)O)C(C3O)O;CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","","2007-03-21","2018-03-14","N-methyladenosine 5'-(dihydrogen phosphate)",""],["NJM","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C28 H38 N2 O8 S","C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)C)S(c4ccc(cc4)CO)(=O)=O)O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(CO)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1S/C28H38N2O8S/c1-19(2)15-30(39(34,35)22-10-8-21(17-31)9-11-22)16-25(32)24(14-20-6-4-3-5-7-20)29-28(33)38-26-18-37-27-23(26)12-13-36-27/h3-11,19,23-27,31-32H,12-18H2,1-2H3,(H,29,33)/t23-,24-,25+,26-,27+/m0/s1","","2019-05-14","2019-08-16","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2019-08-21"],["6N0","N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide","C18 H16 F2 N2 O3 S","FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O;c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F","InChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23)","","2015-03-03","2015-05-08","N-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-4,4-bis(fluoranyl)piperidine-1-carboxamide","2015-05-13"],["NJN","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide","C28 H25 N7 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6;CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6","InChI=1S/C28H25N7O2/c1-2-37-21-10-11-24(31-17-21)27-34-33-26(35(27)20-7-4-3-5-8-20)18-15-19(16-18)32-28(36)22-12-14-29-23-9-6-13-30-25(22)23/h3-14,17-19H,2,15-16H2,1H3,(H,32,36)/t18-,19-","","2019-11-29","2020-07-03","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide","2020-07-08"],["6N1","2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide","C14 H20 N6 O2","c3(C(=O)NN)ccc1c(nc(n1)NCCN2CCOCC2)c3;NNC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1;c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3","InChI=1S/C14H20N6O2/c15-19-13(21)10-1-2-11-12(9-10)18-14(17-11)16-3-4-20-5-7-22-8-6-20/h1-2,9H,3-8,15H2,(H,19,21)(H2,16,17,18)","","2016-05-10","2017-05-19","2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide","2017-05-24"],["NJO","(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide","C33 H36 N4 O2 S","O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1;O=C(CCc1cccnc1)N[CH](CS[CH](Cc2ccccc2)C(=O)NCCc3cccnc3)Cc4ccccc4;c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCc3cccnc3)NC(=O)CCc4cccnc4","InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31+/m0/s1","","2022-04-04","2022-07-22","(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide","2022-07-27"],["6N2","N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine","C14 H21 N7 O","NC(=N)Nc3ccc2nc(NCCN1CCOCC1)nc2c3;NC(=N)Nc1ccc2[nH]c(NCCN3CCOCC3)nc2c1;c1cc2c(cc1NC(=N)N)nc([nH]2)NCCN3CCOCC3","InChI=1S/C14H21N7O/c15-13(16)18-10-1-2-11-12(9-10)20-14(19-11)17-3-4-21-5-7-22-8-6-21/h1-2,9H,3-8H2,(H4,15,16,18)(H2,17,19,20)","","2016-05-10","2017-05-19","N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine","2017-05-24"],["NJP","5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE","C21 H29 N7 O18 P3","NC(=O)c1cc(O)c[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c(c[n+](cc1O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N","InChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-8(18(23)33)1-9(29)3-27/h1-3,6-7,10-11,13-16,20-21,30-32H,4-5H2,(H8-,22,23,24,25,29,33,34,35,36,37,38,39,40)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","5-hydroxy-NADP","2010-02-12","2020-06-17","[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-5-hydroxy-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",""],["6N3","(1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid","C27 H37 N3 O5","CC(C)CCOc1nc(ccc1C(=O)N[CH]2[CH]3CC4C[CH]2CC(O)(C4)C3)N5C[CH]6[CH](C5)[CH]6C(O)=O;CC(C)CCOc1c(ccc(n1)N2CC3C(C2)C3C(=O)O)C(=O)NC4C5CC6CC4CC(C6)(C5)O","InChI=1S/C27H37N3O5/c1-14(2)5-6-35-25-18(3-4-21(28-25)30-12-19-20(13-30)22(19)26(32)33)24(31)29-23-16-7-15-8-17(23)11-27(34,9-15)10-16/h3-4,14-17,19-20,22-23,34H,5-13H2,1-2H3,(H,29,31)(H,32,33)/t15-,16-,17+,19-,20+,22+,23-,27-","","2016-05-30","2016-12-09","(1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid","2016-12-14"],["NJQ","3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid","C27 H28 N2 O3","O=C(O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3nc(ccc3)CC4CCCCC4;OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc4ccccc4)c1;c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O","InChI=1S/C27H28N2O3/c30-26(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(27(31)32)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,30)(H,31,32)","","2010-06-22","2011-08-12","3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid",""],["6N4","2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL","C9 H10 N2 O S","OCCSc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)SCCO","InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)","","2015-03-03","2015-05-08","2-(1H-benzimidazol-2-ylsulfanyl)ethanol","2015-05-13"],["NJR","2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide","C18 H25 Cl2 N3 O2","CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl;CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccc(cc2)Cl","InChI=1S/C18H25Cl2N3O2/c1-18(2,22-15-5-3-14(20)4-6-15)17(25)23-9-7-13(8-10-23)12-21-16(24)11-19/h3-6,13,22H,7-12H2,1-2H3,(H,21,24)","prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside; prop-2-en-1-yl\n7-O-carbamoyl-L-glycero-D-manno-heptoside; prop-2-en-1-yl 7-O-carbamoyl-L-glycero-manno-heptoside","2022-08-17","2024-09-27","2-chloranyl-~{N}-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide","2023-09-20"],["6N5","~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide","C36 H43 N3 O6","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1;CC1=C2C=CCC=C2C=C1C(=O)NC(C)C(=O)NC(Cc3ccc(cc3)OC)C(=O)NC(Cc4ccccc4)C(C(C)CO)O","InChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24+,31+,32+,33+/m1/s1","","2016-05-30","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide","2016-11-09"],["NJS","Itaconyl coenzyme A","C26 H42 N7 O19 P3 S","C/C(C(=O)O)=C/C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O;CC(=CC(=O)SCCN[CH](O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)=O;CC(=CC(=O)SCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)C(=O)O","InChI=1S/C26H42N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14-15,18-20,24,28,34,36-37H,4-7,9-10H2,1-3H3,(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8-/t14-,15+,18-,19-,20+,24-/m1/s1","","2019-05-14","2019-11-08","5'-O-[(S)-{[(S)-[(3R)-4-({(3S)-3-[(2-{[(2Z)-3-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxypropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)","2019-11-13"],["6N6","5-(2-thienyl)-1,3,4-thiadiazol-2-amine","C6 H5 N3 S2","Nc1sc(nn1)c2sccc2;c1cc(sc1)c2nnc(s2)N","InChI=1S/C6H5N3S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)","","2015-03-04","2015-05-08","5-thiophen-2-yl-1,3,4-thiadiazol-2-amine","2015-05-13"],["NJT","9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one","C15 H14 Cl N3 O","CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13;CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl","InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)","","2019-12-02","2020-07-17","9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one","2020-07-22"],["6N8","N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE","C20 H20 N2 O","O=C(NCCC(c1ccccc1)c2ccccc2)n3cccc3;c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3","InChI=1S/C20H20N2O/c23-20(22-15-7-8-16-22)21-14-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-12,15-16,19H,13-14H2,(H,21,23)","","2015-03-03","2015-05-08","N-(3,3-diphenylpropyl)pyrrole-1-carboxamide","2015-05-13"],["NJU","2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide","C17 H17 Cl N2 O","Clc1cccc(c1)CC(=O)Nc1cncc2CCCCc21;Clc1cccc(CC(=O)Nc2cncc3CCCCc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCC3","InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,20,21)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide","2023-11-08"],["6N9","N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide","C24 H21 F2 N3 O4 S","CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc21)c1ccc(OC)cc1;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4ccc(OC)cc4;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F","InChI=1S/C24H21F2N3O4S/c1-3-10-34(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)14-4-6-16(33-2)7-5-14/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,28)","","2016-05-10","2022-10-25","N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide","2016-09-14"],["NJV","5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide","C24 H24 F N7 O","c3(cc(c(n2cc(C1CC1)nc2)cc3C(Nc4nc(ccc4)c5n(cnn5)C(C)C)=O)C)F;CC(C)n1cnnc1c2cccc(NC(=O)c3cc(n4cnc(c4)C5CC5)c(C)cc3F)n2;Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F","InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)","Selonsertib; GS-4997","2019-05-15","2020-05-27","5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide","2019-11-27"],["6NA","HEXANOIC ACID","C6 H12 O2","O=C(O)CCCCC;CCCCCC(O)=O;CCCCCC(=O)O","InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)","","2006-07-05","2026-02-14","hexanoic acid",""],["NJW","5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid","C24 H17 N3 O7","NC(c1ccccc1)=C2[CH](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O;c1ccc(cc1)C(=C2C(N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])N","InChI=1S/C24H17N3O7/c25-20(13-4-2-1-3-5-13)19-21(14-6-8-15(9-7-14)27(33)34)26(23(30)22(19)29)16-10-11-18(28)17(12-16)24(31)32/h1-12,21,28H,25H2,(H,31,32)/b20-19-/t21-/m1/s1","","2019-12-02","2020-04-24","5-[(2~{R},3~{Z})-3-[azanyl(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid","2020-04-29"],["6NB","N,N'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1H-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide)","C52 H48 F4 N6 O10 S2","c76ncc(c1ccc(cc1)OCCOCCOCCOc2ccc(cc2)c3cnc4ncc(c4c3)C(c5c(ccc(NS(CCC)(=O)=O)c5F)F)=O)cc6c(cn7)C(c8c(ccc(c8F)NS(CCC)(=O)=O)F)=O;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4ccc(OCCOCCOCCOc5ccc(cc5)c6cnc7[nH]cc(C(=O)c8c(F)ccc(N[S](=O)(=O)CCC)c8F)c7c6)cc4;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F","InChI=1S/C52H48F4N6O10S2/c1-3-23-73(65,66)61-43-15-13-41(53)45(47(43)55)49(63)39-29-59-51-37(39)25-33(27-57-51)31-5-9-35(10-6-31)71-21-19-69-17-18-70-20-22-72-36-11-7-32(8-12-36)34-26-38-40(30-60-52(38)58-28-34)50(64)46-42(54)14-16-44(48(46)56)62-74(67,68)24-4-2/h5-16,25-30,61-62H,3-4,17-24H2,1-2H3,(H,57,59)(H,58,60)","","2016-05-10","2016-09-09","N,N'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1H-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide)","2016-09-14"],["NJX","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione","C23 H26 N2 O5 Si","CN1C(=O)N(CC#C[Si](C)(C)C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O","InChI=1S/C23H26N2O5Si/c1-14-15(21(28)20-17(26)8-6-9-18(20)27)10-11-16-19(14)22(29)25(23(30)24(16)2)12-7-13-31(3,4)5/h10-11,26H,6,8-9,12H2,1-5H3","","2020-03-19","2021-03-05","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione","2021-03-10"],["6NC","2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide)","C52 H46 F4 N8 O9 S2","CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4ccc(CNC(=O)COCC(=O)NCc5ccc(cc5)c6cnc7[nH]cc(C(=O)c8c(F)ccc(N[S](=O)(=O)CCC)c8F)c7c6)cc4;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F","InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62)","","2016-05-10","2022-10-25","2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide)","2016-09-14"],["6ND","5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide","C18 H17 F2 N5 O3 S2","c2(c(nc(C(NCc1cnc(s1)C)=O)cn2)C)CNS(c3cc(c(F)cc3)F)(=O)=O;Cc1sc(CNC(=O)c2cnc(CN[S](=O)(=O)c3ccc(F)c(F)c3)c(C)n2)cn1;Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F","InChI=1S/C18H17F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-6,8,24H,7,9H2,1-2H3,(H,23,26)","","2016-05-10","2016-09-16","5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide","2016-09-21"],["NJY","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","C33 H43 F N4 O8 S","C12CC3COC1OCC2C3OC(=O)NC(Cc4cccc(c4)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C;CC(C)CN(C[CH](O)[CH](Cc1cccc(F)c1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC(C)C)oc6c5;CC(C)CN(CC(C(Cc1cccc(c1)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C","InChI=1S/C33H43FN4O8S/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)45-32(36-26)35-19(3)4)15-28(39)27(11-20-6-5-7-22(34)10-20)37-33(40)46-30-21-12-24-25(30)17-44-31(24)43-16-21/h5-10,13,18-19,21,24-25,27-28,30-31,39H,11-12,14-17H2,1-4H3,(H,35,36)(H,37,40)/t21-,24-,25-,27+,28-,30+,31+/m1/s1","","2019-05-16","2020-05-15","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","2020-05-20"],["NJZ","[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate","C10 H13 Br N4 S2","NC(=N)SCc1cc(Br)cc(CSC(N)=N)c1;c1c(cc(cc1CSC(=N)N)Br)CSC(=N)N","InChI=1S/C10H13BrN4S2/c11-8-2-6(4-16-9(12)13)1-7(3-8)5-17-10(14)15/h1-3H,4-5H2,(H3,12,13)(H3,14,15)","","2019-12-02","2019-12-13","[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate","2019-12-18"],["6NE","(1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol","C19 H20 N2 O5","c2(cc1ccccc1cc2)c4nc(C3OC(CO)C(O)C(C3O)O)nc4;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(cn2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3cnc([nH]3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C19H20N2O5/c22-9-14-15(23)16(24)17(25)18(26-14)19-20-8-13(21-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2,(H,20,21)/t14-,15-,16+,17-,18-/m1/s1","","2016-05-11","2016-08-18","(1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol","2016-08-23"],["NK","SALICYLALDEHYDE","C7 H6 O2","O=Cc1ccccc1O;Oc1ccccc1C=O;c1ccc(c(c1)C=O)O","InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H","","2005-11-14","2024-09-27","2-hydroxybenzaldehyde",""],["6NF","N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H-PYRAZOL-5-AMINE","C15 H20 N4","C1CCC(CC1)CNc2cc([nH]n2)c3ccncc3;c1cnccc1c2cc(n[nH]2)NCC3CCCCC3","InChI=1S/C15H20N4/c1-2-4-12(5-3-1)11-17-15-10-14(18-19-15)13-6-8-16-9-7-13/h6-10,12H,1-5,11H2,(H2,17,18,19)","","2015-03-03","2015-05-08","N-(cyclohexylmethyl)-5-pyridin-4-yl-1H-pyrazol-3-amine","2015-05-13"],["NK0","3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide","C25 H23 N5 O2","O=C(NC1CC1)c2cc(c(cc2)C)Nc3ncnn4cc(c(c34)C)C(=O)c5ccccc5;Cc1ccc(cc1Nc2ncnn3cc(c(C)c23)C(=O)c4ccccc4)C(=O)NC5CC5;Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5","InChI=1S/C25H23N5O2/c1-15-8-9-18(25(32)28-19-10-11-19)12-21(15)29-24-22-16(2)20(13-30(22)27-14-26-24)23(31)17-6-4-3-5-7-17/h3-9,12-14,19H,10-11H2,1-2H3,(H,28,32)(H,26,27,29)","","2011-06-02","2012-01-27","3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide",""],["6NG","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2,3,3-trimethylbutyl]-L-leucinamide","C22 H38 N3 O5 P","c1ccccc1COC(=O)NCP(NC(C(NCC(C)C(C)(C)C)=O)CC(C)C)(=O)O;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC[CH](C)C(C)(C)C;CC(C)CC(C(=O)NCC(C)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C22H38N3O5P/c1-16(2)12-19(20(26)23-13-17(3)22(4,5)6)25-31(28,29)15-24-21(27)30-14-18-10-8-7-9-11-18/h7-11,16-17,19H,12-15H2,1-6H3,(H,23,26)(H,24,27)(H2,25,28,29)/t17-,19-/m0/s1","","2016-05-09","2016-12-16","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2,3,3-trimethylbutyl]-L-leucinamide","2016-12-21"],["NK1","(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-5,7,8-TRIOL","C8 H15 O3 S","OC1CCC[S+]2C1C(O)C(O)C2;O[CH]1CCC[S+]2C[CH](O)[CH](O)[CH]12;C1CC(C2C(C(C[S+]2C1)O)O)O","InChI=1S/C8H15O3S/c9-5-2-1-3-12-4-6(10)7(11)8(5)12/h5-11H,1-4H2/q+1/t5-,6+,7+,8-,12+/m0/s1","","2007-03-08","2011-06-04","(1R,2S,8S,8aS)-1,2,8-trihydroxyoctahydrothieno[1,2-a]thiopyranium (non-preferred name)",""],["6NH","2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C17 H14 N6 O","[N@H]=C(N)c1ccc2nc(nc2c1)c4nnc(c3ccccc3)c4O;NC(=N)c1ccc2[nH]c(nc2c1)c3n[nH]c(c3O)c4ccccc4;[H]N=C(c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)N","InChI=1S/C17H14N6O/c18-16(19)10-6-7-11-12(8-10)21-17(20-11)14-15(24)13(22-23-14)9-4-2-1-3-5-9/h1-8,24H,(H3,18,19)(H,20,21)(H,22,23)","","2006-01-17","2011-06-04","2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboximidamide",""],["NK2","(1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL","C8 H15 O2 S","OC2C1[S+](CCCC1)CC2O;O[CH]1C[S+]2CCCC[CH]2[CH]1O;C1CC[S+]2CC(C(C2C1)O)O","InChI=1S/C8H15O2S/c9-6-5-11-4-2-1-3-7(11)8(6)10/h6-10H,1-5H2/q+1/t6-,7+,8-,11-/m1/s1","","2007-03-09","2011-06-04","(1R,2S,8aS)-1,2-dihydroxyoctahydrothieno[1,2-a]thiopyranium (non-preferred name)",""],["6NI","6-NITROINDAZOLE","C7 H5 N3 O2","[O-][N+](=O)c1ccc2c(c1)nnc2;[O-][N+](=O)c1ccc2cn[nH]c2c1;c1cc2cn[nH]c2cc1[N+](=O)[O-]","InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)","","2002-07-26","2011-06-04","6-nitro-1H-indazole",""],["NK3","OTS964","C23 H24 N2 O2 S","CN(C)CC(C)c1ccc(cc1)c1c2c(NC(=O)c3sccc32)c(C)cc1O;C[CH](CN(C)C)c1ccc(cc1)c2c(O)cc(C)c3NC(=O)c4sccc4c23;Cc1cc(c(c-2c1NC(=O)c3c2ccs3)c4ccc(cc4)C(C)CN(C)C)O","InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1","","2022-04-05","2022-10-21","(9aM)-9-{4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl}-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one","2022-10-26"],["6NJ","3-(2-phenylethyl)-1H-indazole","C15 H14 N2","C(Cc1n[nH]c2ccccc12)c3ccccc3;c1ccc(cc1)CCc2c3ccccc3[nH]n2","InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,10-11H2,(H,16,17)","","2015-03-05","2015-05-08","3-(2-phenylethyl)-1H-indazole","2015-05-13"],["NK4","(5S)-5'-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-[(2S,5S,6S)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine","C39 H67 N5 O12","C1(CN)C(C(O)C(O1)OC(C2N(CC(CCCCCCCCCCCCCCCCC)C(C(O)=O)N(C)C2=O)C)C4C(C(C(N3C(NC(C=C3)=O)=O)O4)O)O)O;CCCCCCCCCCCCCCCCC[CH]1CN(C)[CH]([CH](O[CH]2O[CH](CN)[CH](O)[CH]2O)[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)C(=O)N(C)[CH]1C(O)=O;CCCCCCCCCCCCCCCCCC1CN(C(C(=O)N(C1C(=O)O)C)C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(C(C(O4)CN)O)O)C","InChI=1S/C39H67N5O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23-42(2)28(35(50)43(3)27(24)37(51)52)33(56-38-32(49)29(46)25(22-40)54-38)34-30(47)31(48)36(55-34)44-21-20-26(45)41-39(44)53/h20-21,24-25,27-34,36,38,46-49H,4-19,22-23,40H2,1-3H3,(H,51,52)(H,41,45,53)/t24-,25+,27-,28-,29+,30-,31+,32+,33-,34-,36+,38-/m0/s1","","2019-05-16","2019-07-05","(5S)-5'-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-[(2S,5S,6S)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine","2019-07-10"],["6NK","2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide","C14 H19 N5 O2","c3(C(=O)N)ccc1c(nc(n1)NCCN2CCOCC2)c3;NC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1;c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3","InChI=1S/C14H19N5O2/c15-13(20)10-1-2-11-12(9-10)18-14(17-11)16-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,15,20)(H2,16,17,18)","","2016-05-11","2017-05-19","2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide","2017-05-24"],["NK5","~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide","C9 H8 N4 O2","ONC(=O)c1cn(nn1)c2ccccc2;c1ccc(cc1)n2cc(nn2)C(=O)NO","InChI=1S/C9H8N4O2/c14-9(11-15)8-6-13(12-10-8)7-4-2-1-3-5-7/h1-6,15H,(H,11,14)","","2019-12-03","2019-12-13","~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide","2019-12-18"],["6NL","(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one","C19 H18 O6","COc1c(O)cc(cc1)[C@H]=C(C)C(=O)c2cc(c3c(c2)OCO3)OC;COc1ccc(C=C(C)C(=O)c2cc(OC)c3OCOc3c2)cc1O;CC(=Cc1ccc(c(c1)O)OC)C(=O)c2cc3c(c(c2)OC)OCO3","InChI=1S/C19H18O6/c1-11(6-12-4-5-15(22-2)14(20)7-12)18(21)13-8-16(23-3)19-17(9-13)24-10-25-19/h4-9,20H,10H2,1-3H3/b11-6+","","2016-05-11","2016-06-03","(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one","2016-06-08"],["NK6","N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","C21 H30 Cl2 N4 O2","N[CH]1CC[C](CC1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl;c1cc(ccc1NC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C21H30Cl2N4O2/c22-13-19(28)25-14-15-7-11-27(12-8-15)20(29)21(9-5-17(24)6-10-21)26-18-3-1-16(23)2-4-18/h1-4,15,17,26H,5-14,24H2,(H,25,28)/t17-,21-","","2022-08-17","2024-09-27","~{N}-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","2023-09-20"],["6NM","4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine","C15 H10 F3 N3","FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3;c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3","InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)","","2015-03-03","2015-05-08","4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine","2015-05-13"],["NK7","4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide","C27 H26 F6 N4 O3 S","O=S(=O)(N(C2C(NCc1ccc(cc1)C(F)(F)F)CNC2)Cc3ccc(cc3)C(F)(F)F)c4ccc(C(=O)N)cc4;NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2)C(F)(F)F)[CH]3CNC[CH]3NCc4ccc(cc4)C(F)(F)F;c1cc(ccc1CNC2CNCC2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F","InChI=1S/C27H26F6N4O3S/c28-26(29,30)20-7-1-17(2-8-20)13-36-23-14-35-15-24(23)37(16-18-3-9-21(10-4-18)27(31,32)33)41(39,40)22-11-5-19(6-12-22)25(34)38/h1-12,23-24,35-36H,13-16H2,(H2,34,38)/t23-,24-/m0/s1","","2011-03-03","2012-02-17","4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide",""],["6NN","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((R)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid","C20 H34 N3 O5 P","c1ccccc1COC(=O)NCP(=O)(NC(C(=O)NCC(C)CC)CC(C)C)O;CC[CH](C)CNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CCC(C)CNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18+/m1/s1","","2016-05-11","2016-12-16","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2-methylbutyl]-L-leucinamide","2016-12-21"],["NK8","4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide","C27 H28 F3 N5 O4 S","O=S(=O)(N(C2C(NCc1ccc(C(=O)N)cc1)CNC2)Cc3ccc(cc3)C(F)(F)F)c4ccc(C(=O)N)cc4;NC(=O)c1ccc(CN[CH]2CNC[CH]2N(Cc3ccc(cc3)C(F)(F)F)[S](=O)(=O)c4ccc(cc4)C(N)=O)cc1;c1cc(ccc1CNC2CNCC2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N","InChI=1S/C27H28F3N5O4S/c28-27(29,30)21-9-3-18(4-10-21)16-35(40(38,39)22-11-7-20(8-12-22)26(32)37)24-15-33-14-23(24)34-13-17-1-5-19(6-2-17)25(31)36/h1-12,23-24,33-34H,13-16H2,(H2,31,36)(H2,32,37)/t23-,24-/m0/s1","","2011-03-04","2012-02-17","4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide",""],["6NO","Avilamycin","C61 H88 Cl2 O32","c1(c(c(c(c(c1Cl)OC)C(=O)OC%11C(CC(OC%10C(CC3(OC2(CC(OC(C2O3)C)OC4C(C(OC(C4OC)C)OC9C(C(C(OC6C(OC(C(C)C)=O)C5OC7(OC5CO6)OC(C(C8C7OCO8)(O)C(=O)C)C)OC9COC)OC)O)O)C)OC%10C)O)OC%11C)O)C)Cl)O;COC[CH]1O[CH](O[CH]2OC[CH]3O[C]4(O[CH](C)[C](O)([CH]5OCO[CH]45)C(C)=O)O[CH]3[CH]2OC(=O)C(C)C)[CH](OC)[CH](O)[CH]1O[CH]6O[CH](C)[CH](OC)[CH](O[CH]7C[C]8(C)O[C]9(C[CH](O)[CH](O[CH]%10C[CH](O)[CH](OC(=O)c%11c(C)c(Cl)c(O)c(Cl)c%11OC)[CH](C)O%10)[CH](C)O9)O[CH]8[CH](C)O7)[CH]6O;Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)OC2C(OC(CC2O)OC3C(OC4(CC3O)OC5C(OC(CC5(O4)C)OC6C(C(OC(C6OC)C)OC7C(OC(C(C7O)OC)OC8C(C9C(CO8)OC1(O9)C2C(C(C(O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C","InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59-,60+,61-/m1/s1","","2016-05-11","2016-11-04","(2R,3S,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,6'R,7R,7'S,7aR,7a'R)-7'-acetyl-7'-hydroxy-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4'-hydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)","2016-11-09"],["6NP","6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE","C30 H27 N5","n2nc(cc(c1ccncc1)c2c4cc3ccccc3cc4)N5CC(NCC5)Cc6ccccc6;C1CN(C[CH](Cc2ccccc2)N1)c3cc(c4ccncc4)c(nn3)c5ccc6ccccc6c5;c1ccc(cc1)CC2CN(CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6","InChI=1S/C30H27N5/c1-2-6-22(7-3-1)18-27-21-35(17-16-32-27)29-20-28(24-12-14-31-15-13-24)30(34-33-29)26-11-10-23-8-4-5-9-25(23)19-26/h1-15,19-20,27,32H,16-18,21H2/t27-/m0/s1","","2005-02-25","2011-06-04","6-[(3S)-3-benzylpiperazin-1-yl]-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine",""],["NK9","4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide","C26 H27 F3 N4 O5 S","O=S(=O)(N(C2C(NCc1cc(O)cc(O)c1)CNC2)Cc3ccc(cc3)C(F)(F)F)c4ccc(C(=O)N)cc4;NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2)C(F)(F)F)[CH]3CNC[CH]3NCc4cc(O)cc(O)c4;c1cc(ccc1CN(C2CNCC2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F","InChI=1S/C26H27F3N4O5S/c27-26(28,29)19-5-1-16(2-6-19)15-33(39(37,38)22-7-3-18(4-8-22)25(30)36)24-14-31-13-23(24)32-12-17-9-20(34)11-21(35)10-17/h1-11,23-24,31-32,34-35H,12-15H2,(H2,30,36)/t23-,24-/m0/s1","","2011-03-04","2012-02-17","4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide",""],["NKA","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","C33 H43 F N4 O8 S","C12CC3COC1OCC2C3OC(=O)NC(Cc4ccc(cc4)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C;CC(C)CN(C[CH](O)[CH](Cc1ccc(F)cc1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC(C)C)oc6c5;CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C","InChI=1S/C33H43FN4O8S/c1-18(2)14-38(47(41,42)23-9-10-26-29(13-23)45-32(36-26)35-19(3)4)15-28(39)27(11-20-5-7-22(34)8-6-20)37-33(40)46-30-21-12-24-25(30)17-44-31(24)43-16-21/h5-10,13,18-19,21,24-25,27-28,30-31,39H,11-12,14-17H2,1-4H3,(H,35,36)(H,37,40)/t21-,24-,25-,27+,28-,30+,31+/m1/s1","","2019-05-16","2020-05-15","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","2020-05-20"],["6NQ","2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid","C10 H16 Br N6 O11 P3","c12c(c(N)ncn1)ncn2C3OC(COP(=O)(O)OP(O)(NP(O)(O)=O)=O)C(C3Br)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3Br;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N","InChI=1S/C10H16BrN6O11P3/c11-5-7(18)4(1-26-31(24,25)28-30(22,23)16-29(19,20)21)27-10(5)17-3-15-6-8(12)13-2-14-9(6)17/h2-5,7,10,18H,1H2,(H,24,25)(H2,12,13,14)(H4,16,19,20,21,22,23)/t4-,5-,7-,10-/m1/s1","","2016-05-11","2017-03-31","2'-bromo-2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine","2017-04-05"],["NKB","5,6,7-tris(bromanyl)-1~{H}-benzotriazole","C6 H2 Br3 N3","Brc1cc2nn[nH]c2c(Br)c1Br;c1c2c(c(c(c1Br)Br)Br)[nH]nn2","InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12)","","2019-12-03","2020-12-11","5,6,7-tris(bromanyl)-1~{H}-benzotriazole","2020-12-16"],["6NR","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","C16 H20 N6 O5 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#N)c3c(N)ncnc23)C(O)=O;c1c(c2c(ncnc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)C#N","InChI=1S/C16H20N6O5S/c17-3-7-4-22(14-10(7)13(19)20-6-21-14)15-12(24)11(23)9(27-15)5-28-2-1-8(18)16(25)26/h4,6,8-9,11-12,15,23-24H,1-2,5,18H2,(H,25,26)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1","","2016-05-11","2016-06-17","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","2016-06-22"],["NKD","(2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid","C38 H48 N8 O13 S","CSCC[CH](NC(=O)N[CH](Cc1cccc(O)c1)C(O)=O)C(=O)N[CH]([CH](C)N(C)C(=O)[CH](N)Cc2cccc(O)c2)C(=O)NC=C3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O;CC(C(C(=O)NC=C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)NC(=O)C(CCSC)NC(=O)NC(Cc3cccc(c3)O)C(=O)O)N(C)C(=O)C(Cc4cccc(c4)O)N","InChI=1S/C38H48N8O13S/c1-19(45(2)34(54)24(39)16-20-6-4-8-22(47)14-20)29(33(53)40-18-27-30(50)31(51)35(59-27)46-12-10-28(49)43-38(46)58)44-32(52)25(11-13-60-3)41-37(57)42-26(36(55)56)17-21-7-5-9-23(48)15-21/h4-10,12,14-15,18-19,24-26,29-31,35,47-48,50-51H,11,13,16-17,39H2,1-3H3,(H,40,53)(H,44,52)(H,55,56)(H2,41,42,57)(H,43,49,58)/b27-18-/t19-,24-,25-,26-,29-,30+,31+,35+/m0/s1","","2019-05-16","2019-07-05","(2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid","2019-07-10"],["6NS","(3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid","C18 H19 F2 N5 O2","CC(C)(C)[CH](CC(O)=O)Nc1nc(ncc1F)c2c[nH]c3ncc(F)cc23;CC(C)(C)C(CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F","InChI=1S/C18H19F2N5O2/c1-18(2,3)13(5-14(26)27)24-17-12(20)8-23-16(25-17)11-7-22-15-10(11)4-9(19)6-21-15/h4,6-8,13H,5H2,1-3H3,(H,21,22)(H,26,27)(H,23,24,25)/t13-/m1/s1","","2016-05-11","2017-02-24","(3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid","2017-03-01"],["6NT","6-NITROBENZOTRIAZOLE","C6 H4 N4 O2","[O-][N+](=O)c1ccc2nnnc2c1;[O-][N+](=O)c1ccc2nn[nH]c2c1;c1cc2c(cc1[N+](=O)[O-])[nH]nn2","InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)","","2013-06-06","2014-05-09","6-nitro-1H-benzotriazole","2013-10-16"],["NKE","4,7-bis(bromanyl)-1~{H}-benzotriazole","C6 H3 Br2 N3","Brc1ccc(Br)c2nn[nH]c12;c1cc(c2c(c1Br)[nH]nn2)Br","InChI=1S/C6H3Br2N3/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,(H,9,10,11)","","2019-12-03","2020-12-11","4,7-bis(bromanyl)-1~{H}-benzotriazole","2020-12-16"],["NKF","2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile","C22 H24 N6 O","N#Cc1cccc(c1C)C(C)Nc1nnc(C)c2cnc(cc12)N1CCOCC1;C[CH](Nc1nnc(C)c2cnc(cc12)N3CCOCC3)c4cccc(C#N)c4C;Cc1c(cccc1C(C)Nc2c3cc(ncc3c(nn2)C)N4CCOCC4)C#N","InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1","","2022-04-05","2022-07-22","2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile","2022-07-27"],["6NU","(3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid","C19 H19 F2 N5 O2","CC1(CCC1)[CH](CC(O)=O)Nc2nc(ncc2F)c3c[nH]c4ncc(F)cc34;CC1(CCC1)C(CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F","InChI=1S/C19H19F2N5O2/c1-19(3-2-4-19)14(6-15(27)28)25-18-13(21)9-24-17(26-18)12-8-23-16-11(12)5-10(20)7-22-16/h5,7-9,14H,2-4,6H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-/m1/s1","","2016-05-11","2017-05-12","(3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid","2017-05-17"],["NKG","N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine","C18 H14 N2 O4","O=C(NCC(=O)O)c1nc(ccc1O)c3c2ccccc2ccc3;OC(=O)CNC(=O)c1nc(ccc1O)c2cccc3ccccc23;c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O","InChI=1S/C18H14N2O4/c21-15-9-8-14(20-17(15)18(24)19-10-16(22)23)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,21H,10H2,(H,19,24)(H,22,23)","","2014-06-10","2015-05-29","N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine","2015-06-03"],["6NV","~{N}-[(2~{R})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide","C36 H43 N3 O6","COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1;CC1=C2C=CCC=C2C=C1C(=O)NC(C)C(=O)NC(Cc3ccc(cc3)OC)C(=O)NC(Cc4ccccc4)C(C(C)CO)O","InChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24-,31+,32+,33+/m1/s1","","2016-05-30","2024-09-27","~{N}-[(2~{R})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide","2016-11-09"],["NKH","N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE","C18 H15 Cl N2 O3","Clc1c(OC)cc(c(OC)c1)NC(=O)c2cccc3cccnc23;COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl;COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3","InChI=1S/C18H15ClN2O3/c1-23-15-10-14(16(24-2)9-13(15)19)21-18(22)12-7-3-5-11-6-4-8-20-17(11)12/h3-10H,1-2H3,(H,21,22)","","2013-05-18","2014-09-05","N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide","2013-09-18"],["6NW","2'-O-methyl-5'-O-thiophosphonoadenosine","C11 H16 N5 O6 P S","P(S)(=O)(OCC1OC(C(C1O)OC)n2cnc3c(N)ncnc23)O;CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1n2cnc3c(N)ncnc23;COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)S)O","InChI=1S/C11H16N5O6PS/c1-20-8-7(17)5(2-21-23(18,19)24)22-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,24)/t5-,7-,8-,11-/m1/s1","","2016-05-11","2016-07-15","2'-O-methyl-5'-O-thiophosphonoadenosine","2016-07-20"],["NKI","(2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one","C14 H11 Cl N2 O","Clc1ccc(cc1)[CH]2NC(=O)c3ccccc3N2;c1ccc2c(c1)C(=O)NC(N2)c3ccc(cc3)Cl","InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)/t13-/m0/s1","","2015-03-05","2015-07-24","(2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one","2015-07-29"],["6NX","1-CYCLOHEXYL-3-METHYL-UREA","C8 H16 N2 O","CNC(=O)NC1CCCCC1;CNC(=O)NC1CCCCC1","InChI=1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)","","2015-03-05","2015-05-08","1-cyclohexyl-3-methyl-urea","2015-05-13"],["NKJ","(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one","C19 H19 N5 O2","c3cc4NC(=O)c1ccccc1OCCCC(C)n2c(nnc2)c(c3)n4;C[CH]1CCCOc2ccccc2C(=O)Nc3cccc(n3)c4nncn14;CC1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4","InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1","","2019-05-16","2019-11-22","(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one","2019-11-27"],["6NY","3-{2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy}-N,N-dimethylbenzamide","C17 H20 N2 O4","O=C(N(C)C)c2cc(Oc1cc(C(C)O)ccc1NO)ccc2;C[CH](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1;CC(c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O","InChI=1S/C17H20N2O4/c1-11(20)12-7-8-15(18-22)16(10-12)23-14-6-4-5-13(9-14)17(21)19(2)3/h4-11,18,20,22H,1-3H3/t11-/m0/s1","","2016-05-12","2017-04-28","3-{2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy}-N,N-dimethylbenzamide","2017-05-03"],["NKK","N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide","C29 H44 N8 O4","O=CC(NC(=O)C(NC(=O)C(NC(=O)c2ccc1c(cccc1)c2)CCCCN)CCCCN)CCCNC(=[N@H])N;NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O)c1ccc2ccccc2c1)C(=O)N[CH](CCCNC(N)=N)C=O;[H]N=C(N)NCCCC(C=O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)c1ccc2ccccc2c1","InChI=1S/C29H44N8O4/c30-15-5-3-11-24(27(40)35-23(19-38)10-7-17-34-29(32)33)37-28(41)25(12-4-6-16-31)36-26(39)22-14-13-20-8-1-2-9-21(20)18-22/h1-2,8-9,13-14,18-19,23-25H,3-7,10-12,15-17,30-31H2,(H,35,40)(H,36,39)(H,37,41)(H4,32,33,34)/t23-,24-,25-/m0/s1","","2008-08-22","2024-09-27","N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide",""],["6NZ","5-cyclohexyl-3-propyl-1H-pyridin-2-one","C14 H21 N O","CCCC1=CC(=CNC1=O)C2CCCCC2;CCCC1=CC(=CNC1=O)C2CCCCC2","InChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16)","","2015-03-09","2015-05-08","5-cyclohexyl-3-propyl-1H-pyridin-2-one","2015-05-13"],["NKL","2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone","C21 H27 Cl2 N3 O3","ClCC(=O)N1CCC2(CC1)CN(C2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4;c1cc(ccc1NC2(CCOCC2)C(=O)N3CC4(C3)CCN(CC4)C(=O)CCl)Cl","InChI=1S/C21H27Cl2N3O3/c22-13-18(27)25-9-5-20(6-10-25)14-26(15-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2","","2022-08-17","2024-09-27","2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone","2023-09-20"],["6O0","(1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold","C8 H14 Au Cl N2","C=1N(CCCC)C(N(C=1)C)=[Au]Cl;CCCCN1C=CN(C)C1=[Au]Cl;CCCCN1C=CN(C1=[Au]Cl)C","InChI=1S/C8H14N2.Au.ClH/c1-3-4-5-10-7-6-9(2)8-10;;/h6-7H,3-5H2,1-2H3;;1H/q;+1;/p-1","","2016-05-12","2016-07-08","(1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold","2016-07-13"],["NKM","(2~{S},3~{S},4~{S})-2-[(1~{R})-2-azanyl-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{N}-[(3~{S})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{H}-pyran-6-carboxamide","C23 H31 N5 O12","C1(OC(=CC(O)C1O)C(=O)NC2CCCCNC2=O)OC(C4C(C(C(N3C=CC(=O)NC3=O)O4)O)OC)C(=O)N;CO[CH]1[CH](O)[CH](O[CH]1[CH](O[CH]2OC(=C[CH](O)[CH]2O)C(=O)N[CH]3CCCCNC3=O)C(N)=O)N4C=CC(=O)NC4=O;COC1C(C(OC1C(C(=O)N)OC2C(C(C=C(O2)C(=O)NC3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O","InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1","","2019-05-16","2019-07-05","(2S,3S,4S)-2-{(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide (non-preferred name)","2019-07-10"],["6O1","Evernimicin","C70 H97 Cl2 N O38","C1(OC(CC(C1OC(c2c(c(c(O)c(c2C)Cl)Cl)OC)=O)OC3OC(C(C(C3)(C)[N+]([O-])=O)OC)C)OC%13C(CC%12(OC%11(C(C(OC4C(C(OC(C4OC)C)OC5C(C(C(OC5COC)OC7C(C6OC8(OC6CO7)OCC(C9C8OCO9)OC(=O)c%10c(cc(cc%10O)O)C)O)OC)O)O)OC(C%11O%12)C)O)C)OC%13C)O)C;COC[CH]1O[CH](O[CH]2OC[CH]3O[C]4(OC[CH](OC(=O)c5c(C)cc(O)cc5O)[CH]6OCO[CH]46)O[CH]3[CH]2O)[CH](OC)[CH](O)[CH]1O[CH]7O[CH](C)[CH](OC)[CH](O[CH]8O[CH](C)[CH]9O[C]%10(C[CH](O)[CH](O[CH]%11C[CH](O[CH]%12C[C](C)([CH](OC)[CH](C)O%12)[N+]([O-])=O)[CH](OC(=O)c%13c(C)c(Cl)c(O)c(Cl)c%13OC)[CH](C)O%11)[CH](C)O%10)O[C]9(C)[CH]8O)[CH]7O;Cc1cc(cc(c1C(=O)OC2COC3(C4C2OCO4)OC5COC(C(C5O3)O)OC6C(C(C(C(O6)COC)OC7C(C(C(C(O7)C)OC)OC8C(C9(C(C(O8)C)OC1(O9)CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O","InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29?,30-,33-,34-,35-,36-,37+,38+,39-,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58?,59-,60-,63+,64+,65+,66+,67-,68-,69-,70-/m1/s1","","2016-05-12","2016-11-04","(2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4R,5S,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)","2016-11-09"],["NKN","(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate","C17 H35 O7 P","O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O;CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1","14:0 LPA; myristoyl lysophosphatidic acid","2010-11-05","2021-03-13","(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate",""],["6O2","[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate","C18 H18 N6 O6 S","N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(Nc4cccc(c4)C#C)ncnc23;C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)C4C(C(C(O4)COS(=O)(=O)N)O)O","InChI=1S/C18H18N6O6S/c1-2-10-4-3-5-11(6-10)23-16-13-17(21-8-20-16)24(9-22-13)18-15(26)14(25)12(30-18)7-29-31(19,27)28/h1,3-6,8-9,12,14-15,18,25-26H,7H2,(H2,19,27,28)(H,20,21,23)/t12-,14-,15-,18-/m1/s1","ABPA3","2016-05-30","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate","2017-06-14"],["NKO","(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate","C19 H39 O7 P","O=P(OCC(O)COC(=O)CCCCCCCCCCCCCCC)(O)O;CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1","16:0 LPA; palmitoyl lysophosphatidic acid","2010-11-05","2021-03-13","(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate",""],["6O3","{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid","C14 H13 N2 O3 P S","O=P(Cc2c1c(ncnc1)sc2c3ccc(C)cc3)(O)O;Cc1ccc(cc1)c2sc3ncncc3c2C[P](O)(O)=O;Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O","InChI=1S/C14H13N2O3PS/c1-9-2-4-10(5-3-9)13-12(7-20(17,18)19)11-6-15-8-16-14(11)21-13/h2-6,8H,7H2,1H3,(H2,17,18,19)","","2016-05-12","2017-03-10","{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid","2017-03-15"],["NKP","(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate","C21 H41 O7 P","O=P(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)O;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m1/s1","18:1 LPA; oleoyl lysophosphatidic acid","2010-11-05","2021-03-13","(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate",""],["6O5","3-(furan-2-yl)propanoic acid","C7 H8 O3","c1c(occ1)CCC(O)=O;OC(=O)CCc1occc1;c1cc(oc1)CCC(=O)O","InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)","MB605","2015-07-21","2020-06-17","3-(furan-2-yl)propanoic acid","2015-08-12"],["NKQ","(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate","C21 H37 O7 P","O=P(OCC(O)COC(=O)CCCCCCC/C=C/CC=C/CC=C/CC)(O)O;CCC=CCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9+/t20-/m1/s1","18:3 LPA, 1-linolenoyl-lysophosphatidic acid","2010-11-05","2020-06-17","(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate",""],["6O6","Plicamycin, mithramycin analogue MTM SA-Trp","C61 H82 N2 O24","C1(Cc5c(C(C1OC2OC(C(C(C2)OC3OC(C(C(C3)OC4OC(C(C(C4)(C)O)O)C)O)C)O)C)=O)c(c6c(c5)cc(c(c6O)C)OC7CC(C(O)C(C)O7)OC8CC(O)C(O)C(O8)C)O)C(OC)C(NC(Cc9cnc%10c9cccc%10)C(OC)=O)=O;CO[CH]([CH]1Cc2cc3cc(O[CH]4C[CH](O[CH]5C[CH](O)[CH](O)[CH](C)O5)[CH](O)[CH](C)O4)c(C)c(O)c3c(O)c2C(=O)[CH]1O[CH]6C[CH](O[CH]7C[CH](O[CH]8C[C](C)(O)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)[CH](O)[CH](C)O6)C(=O)N[CH](Cc9c[nH]c%10ccccc9%10)C(=O)OC;Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)OC9CC(C(C(O9)C)O)OC1CC(C(C(O1)C)O)O","InChI=1S/C61H82N2O24/c1-24-38(83-43-19-39(51(67)26(3)79-43)84-42-18-37(64)50(66)25(2)78-42)17-31-14-30-15-34(57(76-8)59(73)63-36(60(74)77-9)16-32-23-62-35-13-11-10-12-33(32)35)56(55(71)48(30)54(70)47(31)49(24)65)87-45-21-40(52(68)28(5)81-45)85-44-20-41(53(69)27(4)80-44)86-46-22-61(7,75)58(72)29(6)82-46/h10-14,17,23,25-29,34,36-37,39-46,50-53,56-58,62,64-70,72,75H,15-16,18-22H2,1-9H3,(H,63,73)/t25-,26-,27-,28-,29-,34-,36+,37-,39-,40-,41-,42+,43+,44+,45+,46+,50-,51-,52-,53+,56+,57+,58-,61+/m1/s1","methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-(1H-indol-3-yl)propanoate (non-preferred name)","2016-05-12","2021-03-13","methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-(1H-indol-3-yl)propanoate (non-preferred name)","2016-09-14"],["NKR","(2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate","C25 H39 O7 P","O=P(OCC(O)COC(=O)CCC=C/C/C=C/C/C=C/CC=C/CC=C/CC=C/CC)(O)O;CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12+,16-15+,19-18-/t24-/m1/s1","22:6 LPA; 1-docosahexaenoyl-lysophosphatidic acid","2010-11-05","2021-03-13","(2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate",""],["6O7","Plicamycin, mithramycin analogue MTM SA-Phe","C59 H81 N O24","C1(Cc8c(C(=O)C1OC2OC(C)C(C(C2)OC3OC(C)C(O)C(C3)OC4OC(C)C(O)C(O)(C4)C)O)c(c7c(c(C)c(OC5OC(C)C(O)C(C5)OC6CC(C(C(O6)C)O)O)cc7c8)O)O)C(OC)C(NC(C(OC)=O)Cc9ccccc9)=O;CO[CH]([CH]1Cc2cc3cc(O[CH]4C[CH](O[CH]5C[CH](O)[CH](O)[CH](C)O5)[CH](O)[CH](C)O4)c(C)c(O)c3c(O)c2C(=O)[CH]1O[CH]6C[CH](O[CH]7C[CH](O[CH]8C[C](C)(O)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)[CH](O)[CH](C)O6)C(=O)N[CH](Cc9ccccc9)C(=O)OC;Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)NC(Cc4ccccc4)C(=O)OC)OC)OC5CC(C(C(O5)C)O)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)(C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)O","InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25-,26-,27-,28-,29-,33-,34+,35-,37-,38-,39-,40+,41+,42+,43+,44+,48-,49-,50-,51+,54+,55+,56-,59+/m1/s1","methyl\n(2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-p\nyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4\nR,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-y\nl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name)","2016-05-12","2020-06-17","methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name)","2016-09-14"],["NKS","N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine","C28 H25 Cl N2 O6","O=C(Oc1ccc(cc1)C)N(CC(=O)O)Cc4cc(OCc2nc(oc2C)c3ccc(Cl)cc3)ccc4;Cc1ccc(OC(=O)N(CC(O)=O)Cc2cccc(OCc3nc(oc3C)c4ccc(Cl)cc4)c2)cc1;Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O","InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)","","2009-10-28","2011-06-04","N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine",""],["6O8","(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium","C19 H39 N O8 P","CCCCC(OCC(OC(=O)CCCCC)COP(OCC[N+](C)(C)C)(O)=O)=O;CCCCCC(=O)O[CH](COC(=O)CCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCC(=O)OC(COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1","","2016-05-12","2016-05-20","(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium","2016-05-25"],["NKT","6,7-bis(bromanyl)-1~{H}-benzotriazole","C6 H3 Br2 N3","Brc1ccc2nn[nH]c2c1Br;c1cc(c(c2c1nn[nH]2)Br)Br","InChI=1S/C6H3Br2N3/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,(H,9,10,11)","","2019-12-03","2020-12-11","6,7-bis(bromanyl)-1~{H}-benzotriazole","2020-12-16"],["6O9","(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate","C12 H24 N O8 P","NCCOP(=O)(O)OCC(COC(CCCC)=O)OC(=O)C;CCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(C)=O;CCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C","InChI=1S/C12H24NO8P/c1-3-4-5-12(15)18-8-11(21-10(2)14)9-20-22(16,17)19-7-6-13/h11H,3-9,13H2,1-2H3,(H,16,17)/t11-/m0/s1","","2016-05-12","2016-05-20","(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate","2016-05-25"],["6OA","(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid","C6 H8 O4","O=C(O)C(O)=CC=CCO;OCC=CC=C(O)C(O)=O;C(C=CC=C(C(=O)O)O)O","InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3-","","2013-12-17","2024-09-27","(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid","2014-12-24"],["NKU","2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide","C16 H15 Cl N4 O","Clc1cccc(c1)CN(C)C(=O)Cn1nnc2ccccc21;CN(Cc1cccc(Cl)c1)C(=O)Cn2nnc3ccccc23;CN(Cc1cccc(c1)Cl)C(=O)Cn2c3ccccc3nn2","InChI=1S/C16H15ClN4O/c1-20(10-12-5-4-6-13(17)9-12)16(22)11-21-15-8-3-2-7-14(15)18-19-21/h2-9H,10-11H2,1H3","","2023-08-16","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide","2023-11-08"],["NKV","N-(2-methylpropanoyl)adenosine","C14 H19 N5 O5","C3(C(C(n2c1c(c(NC(C(C)C)=O)ncn1)nc2)OC3CO)O)O;CC(C)C(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;CC(C)C(=O)Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C14H19N5O5/c1-6(2)13(23)18-11-8-12(16-4-15-11)19(5-17-8)14-10(22)9(21)7(3-20)24-14/h4-7,9-10,14,20-22H,3H2,1-2H3,(H,15,16,18,23)/t7-,9-,10-,14-/m1/s1","","2019-05-17","2020-09-04","N-(2-methylpropanoyl)adenosine","2020-09-09"],["6OB","(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid","C18 H30 O4","O=C(O)CCCCC(=O)C/C=C/C(O)CC=C/CCCCC;CCCCCC=CC[CH](O)C=CCC(=O)CCCCC(O)=O;CCCCCC=CCC(C=CCC(=O)CCCCC(=O)O)O","InChI=1S/C18H30O4/c1-2-3-4-5-6-7-11-16(19)13-10-14-17(20)12-8-9-15-18(21)22/h6-7,10,13,16,19H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10+/t16-/m0/s1","","2008-06-02","2024-09-27","(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid",""],["NKW","6-bromanyl-1~{H}-benzotriazole","C6 H4 Br N3","Brc1ccc2nn[nH]c2c1;c1cc2c(cc1Br)[nH]nn2","InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)","","2019-12-03","2020-12-11","6-bromanyl-1~{H}-benzotriazole","2020-12-16"],["6OC","(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid","C18 H30 O4","O=C(O)CCCCC(=O)CC(O)C=C/CC=C/CCCCC;CCCCCC=CCC=C[CH](O)CC(=O)CCCCC(O)=O;CCCCCC=CCC=CC(CC(=O)CCCCC(=O)O)O","InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16,19H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-/m0/s1","","2008-06-02","2024-09-27","(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid",""],["NKX","(2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate","C14 H20 N4 O12 S3","[O-][N+](=O)OCC(O[N+]([O-])=O)COC(=O)N(C2c1cc(sc1S(=O)(=O)C(C2)C)S(=O)(=O)N)CC;CCN([CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O)C(=O)OC[CH](CO[N+]([O-])=O)O[N+]([O-])=O;CCN(C1CC(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","InChI=1S/C14H20N4O12S3/c1-3-16(14(19)28-6-9(30-18(22)23)7-29-17(20)21)11-4-8(2)32(24,25)13-10(11)5-12(31-13)33(15,26)27/h5,8-9,11H,3-4,6-7H2,1-2H3,(H2,15,26,27)/t8-,9-,11-/m0/s1","","2009-10-04","2011-06-04","(2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate",""],["6OD","(2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid","C6 H7 N O3","O=C(O)C(=CC=CC=O)/N;NC(=CC=CC=O)C(O)=O;C(=CC=O)C=C(C(=O)O)N","InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1+,5-3+","","2012-12-06","2014-05-16","(2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid","2014-05-21"],["NKY","3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide","C18 H17 F N6 O3","c1c(C(=O)NC)cccc1Nc3nc(n(C(c2c(cccc2OC)F)=O)n3)N;CNC(=O)c1cccc(Nc2nn(c(N)n2)C(=O)c3c(F)cccc3OC)c1;CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N","InChI=1S/C18H17FN6O3/c1-21-15(26)10-5-3-6-11(9-10)22-18-23-17(20)25(24-18)16(27)14-12(19)7-4-8-13(14)28-2/h3-9H,1-2H3,(H,21,26)(H3,20,22,23,24)","","2019-05-20","2019-07-19","3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide","2019-07-24"],["6OE","(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate","C17 H34 N O8 P","NCCOP(=O)(O)OCC(COC(CCCCC)=O)OC(CCCCC)=O;CCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCC","InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m0/s1","","2016-05-12","2016-05-20","(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate","2016-05-25"],["NKZ","7-bromanyl-1~{H}-benzotriazole","C6 H4 Br N3","Brc1cccc2nn[nH]c12;c1cc2c(c(c1)Br)[nH]nn2","InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)","","2019-12-03","2020-12-11","7-bromanyl-1~{H}-benzotriazole","2020-12-16"],["6OG","6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O;COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;COc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1","","2004-04-30","2011-06-04","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine",""],["NL0","4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine","C23 H26 F3 N5","FC(F)(F)c1cccc(c1C)C(C)Nc1nnc(C)c2ccc(cc12)N1CCNCC1;C[CH](Nc1nnc(C)c2ccc(cc12)N3CCNCC3)c4cccc(c4C)C(F)(F)F;Cc1c(cccc1C(F)(F)F)C(C)Nc2c3cc(ccc3c(nn2)C)N4CCNCC4","InChI=1S/C23H26F3N5/c1-14-18(5-4-6-21(14)23(24,25)26)15(2)28-22-20-13-17(31-11-9-27-10-12-31)7-8-19(20)16(3)29-30-22/h4-8,13,15,27H,9-12H2,1-3H3,(H,28,30)/t15-/m1/s1","","2022-04-05","2022-07-22","4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine","2022-07-27"],["6OH","(2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid","C6 H6 O4","O=C(O)C(/O)=CC=CC=O;OC(=O)C(O)=CC=CC=O;C(=CC=O)C=C(C(=O)O)O","InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3+","","2012-12-06","2014-05-16","(2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid","2014-05-21"],["NL1","1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide","C15 H19 N5 O2","NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1;c1cn(c2c1cc(cn2)C(=O)N)CC(=O)NC3CCNCC3","InChI=1S/C15H19N5O2/c16-14(22)11-7-10-3-6-20(15(10)18-8-11)9-13(21)19-12-1-4-17-5-2-12/h3,6-8,12,17H,1-2,4-5,9H2,(H2,16,22)(H,19,21)","","2022-08-17","2023-09-23","1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide","2023-06-14"],["6OI","(2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid","C7 H16 N2 O7 S","N[CH](CO[S](O)(=O)=O)[CH](O)CC[CH](N)C(O)=O;C(CC(C(=O)O)N)C(C(COS(=O)(=O)O)N)O","InChI=1S/C7H16N2O7S/c8-4(7(11)12)1-2-6(10)5(9)3-16-17(13,14)15/h4-6,10H,1-3,8-9H2,(H,11,12)(H,13,14,15)/t4-,5-,6-/m0/s1","","2022-02-16","2022-09-02","(2~{S},5~{S},6~{S})-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid","2022-09-07"],["NL2","5,7-bis(bromanyl)-1~{H}-benzotriazole","C6 H3 Br2 N3","Brc1cc(Br)c2[nH]nnc2c1;c1c(cc(c2c1nn[nH]2)Br)Br","InChI=1S/C6H3Br2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)","","2019-12-03","2020-12-11","5,7-bis(bromanyl)-1~{H}-benzotriazole","2020-12-16"],["6OJ","7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one","C12 H10 Cl2 N2 O","Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C;Cn1c2C(=O)NCCc2c3ccc(Cl)c(Cl)c13;Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3","InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17)","Dihydro-Bauerine C","2012-05-03","2021-03-01","7,8-dichloro-9-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one",""],["NL3","3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid","C21 H14 Cl N3 O2 S","O=C(O)c1cc(n[NH]1)Cn1ccc2ccc(cc21)c1cc2cccc(Cl)c2s1;OC(=O)c1[nH]nc(Cn2ccc3ccc(cc23)c4sc5c(Cl)cccc5c4)c1;c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O","InChI=1S/C21H14ClN3O2S/c22-16-3-1-2-14-9-19(28-20(14)16)13-5-4-12-6-7-25(18(12)8-13)11-15-10-17(21(26)27)24-23-15/h1-10H,11H2,(H,23,24)(H,26,27)","","2021-04-05","2021-06-18","3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid","2021-06-23"],["6OK","6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C19 H20 N6 O2","c1c4c(cc2c1nc(n2)NCCc3ccc(cc3)CCO)N=C(NC4=O)N;NC1=Nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2C(=O)N1;c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO","InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27)","","2016-05-13","2016-08-05","6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2016-08-10"],["NL4","3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide","C24 H23 Cl N8 O","CN(C)C(=O)c1cccc(Cn2cc(cn2)c3c(Cl)cnc4nc([nH]c34)c5cn(C)nc5C)c1;Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C","InChI=1S/C24H23ClN8O/c1-14-18(13-32(4)30-14)22-28-21-20(19(25)10-26-23(21)29-22)17-9-27-33(12-17)11-15-6-5-7-16(8-15)24(34)31(2)3/h5-10,12-13H,11H2,1-4H3,(H,26,28,29)","","2015-07-24","2015-08-28","3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]-N,N-dimethyl-benzamide","2015-09-02"],["6OL","methylarsonous acid","C H5 As O2","C[As](O)O;C[As](O)O;C[As](O)O","InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3","","2016-05-13","2017-05-12","methylarsonous acid","2017-05-17"],["6OM","(2Z)-2-methylbut-2-ene-1,4-diol","C5 H10 O2","C(/CO)(=C/CO)C;CC(CO)=CCO;CC(=CCO)CO","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2-","","2016-02-10","2016-07-29","(2Z)-2-methylbut-2-ene-1,4-diol","2016-08-03"],["NL5","4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole","C14 H19 N3 O3 S","CC(C)OCc1[nH]nnc1CC[S](=O)(=O)c2ccccc2;CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2","InChI=1S/C14H19N3O3S/c1-11(2)20-10-14-13(15-17-16-14)8-9-21(18,19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16,17)","","2019-12-04","2020-07-17","4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole","2020-07-22"],["6ON","2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide","C54 H66 Cl2 N10 O9 S2","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[CH]4N=C(c5ccc(Cl)cc5)c6c(C)c(C)sc6n7c(C)nnc47)N=C(c8ccc(Cl)cc8)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C","InChI=1S/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44-/m0/s1","","2016-05-13","2016-07-01","2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide","2016-07-06"],["NL7","4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid","C12 H12 N2 O6 S2","c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O;COc1cncc(N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O)c1;COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O","InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)","","2019-05-20","2024-09-27","4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid","2020-03-04"],["NL8","~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide","C15 H14 N2 O4","CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O;CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O","InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)","","2019-12-06","2020-10-09","~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide","2020-10-14"],["6OO","2'-O-methyl-5'-O-thiophosphonocytidine","C10 H16 N3 O7 P S","CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N;COC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)S)O","InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1","","2016-05-13","2016-07-15","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid","2016-07-20"],["NL9","[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid","C9 H8 B Cl N2 O2","Clc1cccc(c1)n2ncc(c2)B(O)O;OB(O)c1cnn(c1)c2cccc(Cl)c2;B(c1cnn(c1)c2cccc(c2)Cl)(O)O","InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H","","2013-08-06","2024-09-27","[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid","2014-07-30"],["6OP","1-[(5E)-5,6-dideoxy-2-O-(2-methoxyethyl)-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione","C14 H21 N2 O9 P","P(O)(O)(=O)C=[C@H]C1C(O)C(OCCOC)C(O1)N2C=C(C(NC2=O)=O)C;COCCO[CH]1[CH](O)[CH](O[CH]1N2C=C(C)C(=O)NC2=O)C=C[P](O)(O)=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)C=CP(=O)(O)O)O)OCCOC","InChI=1S/C14H21N2O9P/c1-8-7-16(14(19)15-12(8)18)13-11(24-5-4-23-2)10(17)9(25-13)3-6-26(20,21)22/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,15,18,19)(H2,20,21,22)/b6-3+/t9-,10-,11-,13-/m1/s1","","2016-05-13","2016-07-15","1-[(5E)-5,6-dideoxy-2-O-(2-methoxyethyl)-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione","2016-07-20"],["NLA","NAPHTHALEN-1-YL-ACETIC ACID","C12 H10 O2","O=C(O)Cc2cccc1ccccc12;OC(=O)Cc1cccc2ccccc12;c1ccc2c(c1)cccc2CC(=O)O","InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)","","2002-05-22","2011-06-04","naphthalen-1-ylacetic acid",""],["6OQ","2-ethyl-1,2-dihydro-1,2-azaborinine","C6 H10 B N","CCB1NC=CC=C1;CCB1NC=CC=C1;B1(C=CC=CN1)CC","InChI=1S/C6H10BN/c1-2-7-5-3-4-6-8-7/h3-6,8H,2H2,1H3","","2016-05-13","2016-09-16","2-ethyl-1,2-dihydro-1,2-azaborinine","2016-09-21"],["NLB","6-(benzyloxy)-L-norleucine","C13 H19 N O3","O=C(O)C(N)CCCCOCc1ccccc1;N[CH](CCCCOCc1ccccc1)C(O)=O;c1ccc(cc1)COCCCCC(C(=O)O)N","InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1","","2014-11-09","2024-09-27","6-(benzyloxy)-L-norleucine","2015-02-11"],["6OR","3,5-dichloro-4-hydroxybenzene-1-sulfonic acid","C6 H4 Cl2 O4 S","c1c(c(c(cc1S(O)(=O)=O)Cl)O)Cl;Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O;c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O","InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)","","2016-05-16","2017-03-31","3,5-dichloro-4-hydroxybenzene-1-sulfonic acid","2017-04-05"],["NLC","2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE","C14 H25 N O11","O=C(NC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1","","2004-07-15","2020-07-17","2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose",""],["6OS","Neplanocin-A","C11 H13 N5 O3","c1nc2c(c(n1)N)ncn2C3C(C(O)C(=C3)CO)O;Nc1ncnc2n(cnc12)[CH]3C=C(CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C=C(C(C3O)O)CO)N","InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1","(1S,2R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol","2016-05-16","2021-03-13","(1S,2R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol","2016-05-25"],["NLD","NICOTINE-11-YL-METHYL-(4-ETHYLAMINO-4-OXO)-BUTANOATE","C17 H25 N3 O3","O=C(NCC)CCC(=O)OCC2C(c1cccnc1)N(C)CC2;CCNC(=O)CCC(=O)OC[CH]1CCN(C)[CH]1c2cccnc2;CCNC(=O)CCC(=O)OCC1CCN(C1c2cccnc2)C","InChI=1S/C17H25N3O3/c1-3-19-15(21)6-7-16(22)23-12-14-8-10-20(2)17(14)13-5-4-9-18-11-13/h4-5,9,11,14,17H,3,6-8,10,12H2,1-2H3,(H,19,21)/t14-,17-/m0/s1","","2011-05-27","2011-11-11","[(2R,3R)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate",""],["6OT","3,5-dichlorobenzene-1-sulfonamide","C6 H5 Cl2 N O2 S","NS(c1cc(cc(c1)Cl)Cl)(=O)=O;N[S](=O)(=O)c1cc(Cl)cc(Cl)c1;c1c(cc(cc1Cl)Cl)S(=O)(=O)N","InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)","","2016-05-16","2017-03-31","3,5-dichlorobenzene-1-sulfonamide","2017-04-05"],["NLE","NORLEUCINE","C6 H13 N O2","O=C(O)C(N)CCCC;CCCC[CH](N)C(O)=O;CCCCC(C(=O)O)N","InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1","","1999-07-08","2024-09-27","L-norleucine",""],["6OU","[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate","C39 H76 N O8 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1","","2016-05-24","2017-06-23","[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate","2017-06-28"],["NLF","N-formyl-L-tryptophan","C12 H12 N2 O3","O=C(O)C(NC=O)Cc1c[NH]c2ccccc21;OC(=O)[CH](Cc1c[nH]c2ccccc12)NC=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC=O","InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1","","2022-04-05","2024-09-27","N-formyl-L-tryptophan","2022-08-17"],["6OV","3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide","C22 H33 N5 O2","C3CCCC(CC(C(N1CCCC1C(NCc2ccc(cc2)C(N)=[N@H])=O)=O)N)C3;N[CH](CC1CCCCC1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;c1cc(ccc1CNC(=O)C2CCCN2C(=O)C(CC3CCCCC3)N)C(=N)N","InChI=1S/C22H33N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h8-11,15,18-19H,1-7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1","","2016-05-17","2017-06-02","3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide","2017-06-07"],["NLG","N-ACETYL-L-GLUTAMATE","C7 H11 N O5","O=C(NC(C(=O)O)CCC(=O)O)C;CC(=O)N[CH](CCC(O)=O)C(O)=O;CC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1","","2001-12-28","2024-09-27","N-acetyl-L-glutamic acid",""],["6OW","2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine","C12 H12 N4","c2(nc1cc(C)ccn1c2c3ccnn3)C;Cc1ccn2c(c1)nc(C)c2c3[nH]ncc3;Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C","InChI=1S/C12H12N4/c1-8-4-6-16-11(7-8)14-9(2)12(16)10-3-5-13-15-10/h3-7H,1-2H3,(H,13,15)","","2016-05-17","2016-09-02","2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine","2016-09-07"],["NLH","(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid","C13 H27 N O4","O=C(O)C(CCCC)CC(O)(O)C(N)CCCC;CCCC[CH](N)C(O)(O)C[CH](CCCC)C(O)=O;CCCCC(CC(C(CCCC)N)(O)O)C(=O)O","InChI=1S/C13H27NO4/c1-3-5-7-10(12(15)16)9-13(17,18)11(14)8-6-4-2/h10-11,17-18H,3-9,14H2,1-2H3,(H,15,16)/t10-,11+/m1/s1","","2008-06-06","2011-06-04","(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid",""],["6OX","2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]\nphenyl]imidazol-4-yl]propan-2-ol","C29 H28 Cl2 F2 N2 O4 S","CC(C)(O)c1cn(c2ccc(cc2F)c3cc(F)c(CO)c(c3)[S](C)(=O)=O)c(n1)C(C)(C)c4c(Cl)cccc4Cl;CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O","InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3","BMS-852927","2016-05-17","2020-06-17","2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-ol","2016-11-02"],["NLI","N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide","C18 H23 F2 N7 O3","O=C(NCCONC(=[N@H])N)CN1C(=CN=C(C1=O)NCC(F)(F)c2ccccc2)C;CC1=CN=C(NCC(F)(F)c2ccccc2)C(=O)N1CC(=O)NCCONC(N)=N;CC1=CN=C(C(=O)N1CC(=O)NCCONC(=N)N)NCC(c2ccccc2)(F)F","InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)","RWJ-671818","2010-04-15","2021-03-01","N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide",""],["6OY","ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate","C32 H43 N5 O7","CCOC(=O)CCC(NC(=O)C1N(CC(C1)c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2C[CH](CN2C(=O)[CH](NC(=O)c3cc(C)on3)C(C)C)c4ccccc4;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C2CC(CN2C(=O)C(C(C)C)NC(=O)c3cc(on3)C)c4ccccc4","InChI=1S/C32H43N5O7/c1-5-43-27(38)12-11-24(16-22-13-14-33-29(22)39)34-31(41)26-17-23(21-9-7-6-8-10-21)18-37(26)32(42)28(19(2)3)35-30(40)25-15-20(4)44-36-25/h6-10,15,19,22-24,26,28H,5,11-14,16-18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,26-,28-/m0/s1","","2016-02-25","2024-09-27","N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(4S)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-phenyl-L-prolinamide","2016-06-22"],["NLJ","4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid","C12 H12 N2 O6 S2","c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O;COc1ncccc1N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O;COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O","InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)","","2019-05-20","2024-09-27","4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid","2020-03-04"],["6OZ","2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole","C17 H19 N3 S","c1(ccccc1)C(c2nnc(c2)c3c(C)nc(C)s3)(C)C;Cc1sc(c2[nH]nc(c2)C(C)(C)c3ccccc3)c(C)n1;Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3","InChI=1S/C17H19N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(3,4)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,19,20)","","2016-05-17","2016-09-02","2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole","2016-09-07"],["NLK","(2R,5S)-5-amino-2-butyl-4-oxononanoic acid","C13 H25 N O3","O=C(CC(C(=O)O)CCCC)C(N)CCCC;CCCC[CH](N)C(=O)C[CH](CCCC)C(O)=O;CCCCC(CC(=O)C(CCCC)N)C(=O)O","InChI=1S/C13H25NO3/c1-3-5-7-10(13(16)17)9-12(15)11(14)8-6-4-2/h10-11H,3-9,14H2,1-2H3,(H,16,17)/t10-,11+/m1/s1","","2008-06-05","2011-06-04","(2R,5S)-5-amino-2-butyl-4-oxononanoic acid",""],["6P0","5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole","C18 H20 N4 O","C1C(C1)(c3cc(c2cn(nc2C)C)nn3)c4ccc(cc4)OC;COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C;Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC","InChI=1S/C18H20N4O/c1-12-15(11-22(2)21-12)16-10-17(20-19-16)18(8-9-18)13-4-6-14(23-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)","","2016-05-17","2016-09-02","5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole","2016-09-07"],["6P1","5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole","C17 H19 N3 O S","c1(sc(c(C)n1)c3nnc(C(C)c2ccc(cc2)OC)c3)C;COc1ccc(cc1)[CH](C)c2cc([nH]n2)c3sc(C)nc3C;Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)c3ccc(cc3)OC","InChI=1S/C17H19N3OS/c1-10(13-5-7-14(21-4)8-6-13)15-9-16(20-19-15)17-11(2)18-12(3)22-17/h5-10H,1-4H3,(H,19,20)/t10-/m1/s1","","2016-05-17","2016-09-02","5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole","2016-09-07"],["NLL","1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide","C16 H16 N4 O","NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1;c1cc(ccc1CN)Cn2ccc3c2ncc(c3)C(=O)N","InChI=1S/C16H16N4O/c17-8-11-1-3-12(4-2-11)10-20-6-5-13-7-14(15(18)21)9-19-16(13)20/h1-7,9H,8,10,17H2,(H2,18,21)","","2022-08-17","2023-09-23","1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide","2023-06-14"],["NLM","4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid","C11 H9 Cl N2 O5 S2","N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl;O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ncccc2Cl;c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl","InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)","","2019-05-20","2024-09-27","4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid","2020-03-04"],["6P2","5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole","C18 H19 N3 O S","C2C(c1ccc(OC)cc1)(C2)c4cc(c3sc(nc3C)C)nn4;COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4sc(C)nc4C;Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC","InChI=1S/C18H19N3OS/c1-11-17(23-12(2)19-11)15-10-16(21-20-15)18(8-9-18)13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,20,21)","","2016-05-17","2016-09-02","5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole","2016-09-07"],["6P3","6-phenylpyridine-3-carboxylic acid","C12 H9 N O2","O=C(O)c2cnc(c1ccccc1)cc2;OC(=O)c1ccc(nc1)c2ccccc2;c1ccc(cc1)c2ccc(cn2)C(=O)O","InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)","","2012-12-18","2013-01-18","6-phenylpyridine-3-carboxylic acid","2013-01-18"],["NLN","NORLEUCINE AMIDE","C6 H14 N2 O","O=C(N)C(N)CCCC;CCCC[CH](N)C(N)=O;CCCCC(C(=O)N)N","InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1","2-AMINO-HEXANOIC ACID AMIDE","2000-02-02","2024-09-27","L-norleucinamide",""],["NLO","O-METHYL-L-NORLEUCINE","C7 H15 N O2","O=C(OC)C(N)CCCC;CCCC[CH](N)C(=O)OC;CCCCC(C(=O)OC)N","InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1","","2004-01-27","2024-09-27","methyl L-norleucinate",""],["6P4","2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine","C12 H12 N4","c1cnnc1c3n2cc(ccc2nc3C)C;Cc1ccc2nc(C)c(n2c1)c3[nH]ncc3;Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C","InChI=1S/C12H12N4/c1-8-3-4-11-14-9(2)12(16(11)7-8)10-5-6-13-15-10/h3-7H,1-2H3,(H,13,15)","","2016-05-17","2016-09-02","2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine","2016-09-07"],["NLP","(1-AMINO-PENTYL)-PHOSPHONIC ACID","C5 H14 N O3 P","O=P(O)(O)C(N)CCCC;CCCC[CH](N)[P](O)(O)=O;CCCCC(N)P(=O)(O)O","InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1","NORLEUCINE PHOSPHONATE","1999-07-28","2021-03-01","[(1R)-1-aminopentyl]phosphonic acid",""],["6P5","4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole","C14 H13 N3 S","c1(ccc(cc1)C)c2sc(c(C)n2)c3ccnn3;Cc1ccc(cc1)c2sc(c3[nH]ncc3)c(C)n2;Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C","InChI=1S/C14H13N3S/c1-9-3-5-11(6-4-9)14-16-10(2)13(18-14)12-7-8-15-17-12/h3-8H,1-2H3,(H,15,17)","","2016-05-17","2016-09-02","4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole","2016-09-07"],["NLQ","N~2~-ACETYL-L-GLUTAMINE","C7 H12 N2 O4","O=C(NC(C(=O)O)CCC(=O)N)C;CC(=O)N[CH](CCC(N)=O)C(O)=O;CC(=O)NC(CCC(=O)N)C(=O)O","InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1","N-ACETYL-L-GLUTAMINE","2004-10-12","2020-06-17","N~2~-acetyl-L-glutamine",""],["6P6","1-(4-phenylazanylquinazolin-7-yl)ethanone","C16 H13 N3 O","CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1;CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3","InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)","","2016-05-31","2024-09-27","1-(4-phenylazanylquinazolin-7-yl)ethanone","2016-08-10"],["NLS","4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid","C11 H9 F N2 O5 S2","N(c1nc(F)ccc1)S(c2ccc(S(=O)(=O)O)cc2)(=O)=O;O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(F)n2;c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O","InChI=1S/C11H9FN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)","","2019-05-20","2024-09-27","4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid","2020-03-04"],["6P8","~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide","C16 H14 N4 O","CC(=O)Nc1ccc2c(Nc3ccccc3)ncnc2c1;CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3","InChI=1S/C16H14N4O/c1-11(21)19-13-7-8-14-15(9-13)17-10-18-16(14)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)(H,17,18,20)","","2016-05-31","2024-09-27","~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide","2016-08-10"],["NLT","N-DODECANOYL-L-TYROSINE","C21 H33 N O4","O=C(O)C(NC(=O)CCCCCCCCCCC)Cc1ccc(O)cc1;CCCCCCCCCCCC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O;CCCCCCCCCCCC(=O)NC(Cc1ccc(cc1)O)C(=O)O","InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-20(24)22-19(21(25)26)16-17-12-14-18(23)15-13-17/h12-15,19,23H,2-11,16H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1","(S)-N-(DODECANOYL)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPANOIC ACID; N-LAURYL-L-TYROSINE; N-LAUROYL-L-TYROSINE","2005-01-12","2020-05-27","N-dodecanoyl-L-tyrosine",""],["6P9","[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)","C36 H51 N5 O2","C1CC(CCN1C(=O)c5c(Nc2ccccc2)cc(C(=O)N4CCC(CCN3CCCC3)CC4)cc5)CCN6CCCC6;O=C(N1CC[CH](CCN2CCCC2)CC1)c3ccc(C(=O)N4CC[CH](CCN5CCCC5)CC4)c(Nc6ccccc6)c3;c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6","InChI=1S/C36H51N5O2/c42-35(40-24-14-29(15-25-40)12-22-38-18-4-5-19-38)31-10-11-33(34(28-31)37-32-8-2-1-3-9-32)36(43)41-26-16-30(17-27-41)13-23-39-20-6-7-21-39/h1-3,8-11,28-30,37H,4-7,12-27H2","","2016-05-18","2017-05-05","[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)","2017-05-10"],["NLV","4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid","C11 H9 Cl N2 O5 S2","N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O;O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)n2;c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O","InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)","","2019-05-20","2024-09-27","4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid","2020-03-04"],["6PB","6-(3-bromophenyl)-7H-purin-2-amine","C11 H8 Br N5","Brc3cccc(c1nc(nc2ncnc12)N)c3;Nc1nc2nc[nH]c2c(n1)c3cccc(Br)c3;c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N","InChI=1S/C11H8BrN5/c12-7-3-1-2-6(4-7)8-9-10(15-5-14-9)17-11(13)16-8/h1-5H,(H3,13,14,15,16,17)","","2011-03-07","2011-08-19","6-(3-bromophenyl)-7H-purin-2-amine",""],["NLW","L-leucinamide","C6 H14 N2 O","CC(CC(C(N)=O)N)C;CC(C)C[CH](N)C(N)=O;CC(C)CC(C(=O)N)N","InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1","","2016-03-22","2024-09-27","L-leucinamide","2016-08-03"],["6PC","PYRIDINE-2-CARBOXYLIC ACID","C6 H5 N O2","O=C(O)c1ncccc1;OC(=O)c1ccccn1;c1ccnc(c1)C(=O)O","InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)","PICOLINIC ACID","2006-05-23","2020-06-17","pyridine-2-carboxylic acid",""],["NLX","(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM","C20 H24 N O4","O=C5C3Oc1c2c(ccc1O)CC4C(O)(C23CC[N+]4(C)C/C=C)CC5;C[N+]1(CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[C]2(O)CCC4=O)c35)CC=C;C[N+]1(CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)O)CC=C","InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1","N-METHYLNALOXONIUM","2002-10-24","2021-03-01","(5alpha,17S)-3,14-dihydroxy-17-methyl-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium",""],["6PD","[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone","C41 H60 N6 O3","O=C(N1CC[CH](CCN2CCCC2)CC1)c3ccc(C(=O)N4CC[CH](CCN5CCCC5)CC4)c(Nc6ccc(OCN7CCCC7)cc6)c3;c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7","InChI=1S/C41H60N6O3/c48-40(46-27-15-33(16-28-46)13-25-43-19-1-2-20-43)35-7-12-38(41(49)47-29-17-34(18-30-47)14-26-44-21-3-4-22-44)39(31-35)42-36-8-10-37(11-9-36)50-32-45-23-5-6-24-45/h7-12,31,33-34,42H,1-6,13-30,32H2","","2016-05-18","2017-05-19","[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone","2017-05-24"],["NLY","N-(4-aminobutyl)glycine","C6 H14 N2 O2","O=C(O)CNCCCCN;NCCCCNCC(O)=O;C(CCNCC(=O)O)CN","InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10)","","2012-10-18","2024-09-27","N-(4-aminobutyl)glycine","2013-10-09"],["6PE","1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","C17 H33 N O8 P","O=C(OCC(OC(=O)CCCCC)COP([O-])(=O)OCCN)CCCCC;CCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCC","InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/p-1/t15-/m1/s1","","2004-08-02","2011-06-04","2-aminoethyl (2R)-2,3-bis(hexanoyloxy)propyl phosphate",""],["NLZ","2,4-bis(oxidanyl)benzamide","C7 H7 N O3","NC(=O)c1ccc(O)cc1O;c1cc(c(cc1O)O)C(=O)N","InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)","","2019-12-06","2020-10-09","2,4-bis(oxidanyl)benzamide","2020-10-14"],["6PF","N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide","C21 H24 N4 O6 S","COc1ncc(cc1N[S](C)(=O)=O)c2cc(NC(=O)CN3CCOCC3)c4cocc4c2;COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C","InChI=1S/C21H24N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,12-13,24H,3-6,11H2,1-2H3,(H,23,26)","","2016-06-01","2016-07-22","~{N}-[6-[6-methoxy-5-(methylsulfonylamino)pyridin-3-yl]-2-benzofuran-4-yl]-2-morpholin-4-yl-ethanamide","2016-07-27"],["NM0","2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide","C15 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cnc2ccccn12;Clc1cccc(CC(=O)Nc2cnc3ccccn23)c1;c1ccn2c(c1)ncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-14-10-17-13-6-1-2-7-19(13)14/h1-8,10H,9H2,(H,18,20)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide","2023-11-08"],["6PG","6-PHOSPHOGLUCONIC ACID","C6 H13 O10 P","O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1","","1999-07-08","2011-06-04","6-O-phosphono-D-gluconic acid",""],["NM1","3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE","C34 H37 N3 O7 S","O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC)ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5;CNC(=O)c1cccc(CN2[CH](COc3ccccc3)[CH](O)[CH](O)[CH](COc4ccccc4)N(Cc5ccccc5)[S]2(=O)=O)c1;CNC(=O)c1cccc(c1)CN2C(C(C(C(N(S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5","InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1","AHA047","2000-10-30","2021-03-01","3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide",""],["6PH","(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate","C31 H61 O8 P","O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)O;CCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O;CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)O","InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1","PHOSPHATIDIC ACID","2008-04-30","2021-03-01","(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate",""],["NM2","3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM","C7 H16 N O2","O=C(O)CCC[N+](C)(C)C;C[N+](C)(C)CCCC(O)=O;C[N+](C)(C)CCCC(=O)O","InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1","","2009-09-10","2011-06-04","3-carboxy-N,N,N-trimethylpropan-1-aminium",""],["6PJ","CY5.5-PEG2","C50 H65 N3 O16 S4","CCCOCCOCCOCCCNC(=O)CCCCN1c2ccc3c(cc(cc3[S](O)(=O)=O)[S](O)(=O)=O)c2C(C)(C)C1=CC=CCC=C4N(CC)c5ccc6c(cc(cc6[S](O)(=O)=O)[S](O)(=O)=O)c5C4(C)C;CCCOCCOCCOCCCNC(=O)CCCCN1c2ccc3c(c2C(C1=CC=CCC=C4C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C50H65N3O16S4/c1-7-24-67-26-28-69-29-27-68-25-14-22-51-46(54)17-12-13-23-53-41-21-19-37-39(31-35(71(58,59)60)33-43(37)73(64,65)66)48(41)50(5,6)45(53)16-11-9-10-15-44-49(3,4)47-38-30-34(70(55,56)57)32-42(72(61,62)63)36(38)18-20-40(47)52(44)8-2/h9,11,15-16,18-21,30-33H,7-8,10,12-14,17,22-29H2,1-6H3,(H,51,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/b11-9-,44-15+,45-16-","","2016-06-03","2016-09-09","(2~{E})-2-[(~{Z},5~{Z})-5-[1,1-dimethyl-3-[5-oxidanylidene-5-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]pentyl]-6,8-disulfo-benzo[e]indol-2-ylidene]pent-3-enylidene]-3-ethyl-1,1-dimethyl-benzo[e]indole-6,8-disulfonic acid","2016-09-14"],["NM3","ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium","C8 H18 N O2","O=C(O)CCC[N+](C)(C)CC;CC[N+](C)(C)CCCC(O)=O;CC[N+](C)(C)CCCC(=O)O","InChI=1S/C8H17NO2/c1-4-9(2,3)7-5-6-8(10)11/h4-7H2,1-3H3/p+1","","2013-09-16","2014-05-12","3-carboxy-N-ethyl-N,N-dimethylpropan-1-aminium","2014-03-12"],["6PK","O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide","C27 H31 N5 O5 S","c3ccc(CS(=O)(NC(C(=O)NCC(NCc1ccc(C(=N)N)cc1)=O)COCc2ccccc2)=O)cc3;NC(=N)c1ccc(CNC(=O)CNC(=O)[CH](COCc2ccccc2)N[S](=O)(=O)Cc3ccccc3)cc1;c1ccc(cc1)COCC(C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3","InChI=1S/C27H31N5O5S/c28-26(29)23-13-11-20(12-14-23)15-30-25(33)16-31-27(34)24(18-37-17-21-7-3-1-4-8-21)32-38(35,36)19-22-9-5-2-6-10-22/h1-14,24,32H,15-19H2,(H3,28,29)(H,30,33)(H,31,34)/t24-/m1/s1","","2016-05-18","2016-07-01","O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide","2016-07-06"],["NM4","(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine","C25 H26 Cl N5 O2","c1(OC)cc(OC)c(cc1Cl)c5nc4cc(N3CCC(NCc2ccncc2)C3)ccn4c5;COc1cc(OC)c(cc1Cl)c2cn3ccc(cc3n2)N4CC[CH](C4)NCc5ccncc5;COc1cc(c(cc1c2cn3ccc(cc3n2)N4CCC(C4)NCc5ccncc5)Cl)OC","InChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-6-19(11-25(31)29-22)30-9-5-18(15-30)28-14-17-3-7-27-8-4-17/h3-4,6-8,10-13,16,18,28H,5,9,14-15H2,1-2H3/t18-/m0/s1","","2019-05-20","2019-05-24","(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine","2019-05-29"],["6PL","(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE","C42 H85 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m1/s1","1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE","2006-05-24","2020-06-17","(4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide",""],["6PM","5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole","C17 H20 N4 O","c1c(c(C)nn1C)c3nnc(C(c2ccc(OC)cc2)C)c3;COc1ccc(cc1)[CH](C)c2cc([nH]n2)c3cn(C)nc3C;Cc1c(cn(n1)C)c2cc(n[nH]2)C(C)c3ccc(cc3)OC","InChI=1S/C17H20N4O/c1-11(13-5-7-14(22-4)8-6-13)16-9-17(19-18-16)15-10-21(3)20-12(15)2/h5-11H,1-4H3,(H,18,19)/t11-/m0/s1","","2016-05-18","2016-09-02","5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole","2016-09-07"],["NM6","2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose","C11 H20 N2 O7","O=C(N)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(N)=O;CC(C(=O)N)OC1C(C(OC(C1O)CO)O)NC(=O)C","InChI=1S/C11H20N2O7/c1-4(10(12)17)19-9-7(13-5(2)15)11(18)20-6(3-14)8(9)16/h4,6-9,11,14,16,18H,3H2,1-2H3,(H2,12,17)(H,13,15)/t4-,6-,7-,8-,9-,11-/m1/s1","(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide;\nN-acetyl-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-beta-D-glucosamine;\n2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucose;\n2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucose;\n2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucose","2013-11-19","2020-07-17","2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose","2014-07-23"],["NM7","2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide","C12 H10 F N3 O2 S","O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N;NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2;c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F","InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)","","2011-01-24","2011-10-07","2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide",""],["6PN","5-hexyl-2-phenoxyphenol","C18 H22 O2","O(c1ccccc1)c2ccc(cc2O)CCCCCC;CCCCCCc1ccc(Oc2ccccc2)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3","","2013-05-15","2013-05-31","5-hexyl-2-phenoxyphenol","2013-06-05"],["NM8","6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide","C33 H29 F3 N4 O4 S","O=C1C(SC(=O)N1)=Cc6oc(c5cc4cccc(C(=O)Nc2cc(cc(c2)CN3CCN(CC)CC3)C(F)(F)F)c4cc5)cc6;CCN1CCN(CC1)Cc2cc(NC(=O)c3cccc4cc(ccc34)c5oc(cc5)C=C6SC(=O)NC6=O)cc(c2)C(F)(F)F;CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)C=C6C(=O)NC(=O)S6)C(F)(F)F","InChI=1S/C33H29F3N4O4S/c1-2-39-10-12-40(13-11-39)19-20-14-23(33(34,35)36)17-24(15-20)37-30(41)27-5-3-4-21-16-22(6-8-26(21)27)28-9-7-25(44-28)18-29-31(42)38-32(43)45-29/h3-9,14-18H,2,10-13,19H2,1H3,(H,37,41)(H,38,42,43)/b29-18-","(Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide","2011-01-25","2021-03-13","6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide",""],["6PO","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine","C13 H20 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCCC)N)CC3O;CCCOc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCCOc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C13H20N5O7P/c1-2-3-23-12-10-11(16-13(14)17-12)18(6-15-10)9-4-7(19)8(25-9)5-24-26(20,21)22/h6-9,19H,2-5H2,1H3,(H2,14,16,17)(H2,20,21,22)/t7-,8+,9+/m0/s1","","2012-04-27","2012-06-15","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine",""],["NM9","methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside","C12 H22 N2 O7","O=C(N)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(N)=O)[CH]1NC(C)=O;CC(C(=O)N)OC1C(C(OC(C1O)CO)OC)NC(=O)C","InChI=1S/C12H22N2O7/c1-5(11(13)18)20-10-8(14-6(2)16)12(19-3)21-7(4-15)9(10)17/h5,7-10,12,15,17H,4H2,1-3H3,(H2,13,18)(H,14,16)/t5-,7-,8-,9-,10-,12-/m1/s1","(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide; methyl\n2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucoside; methyl\n2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucoside; methyl\n2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucoside","2013-11-19","2020-07-17","methyl 2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside","2014-07-23"],["6PP","3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol","C12 H16 O2","Oc1c(cccc1O)C/C=C(/C)CC;CCC(C)=CCc1cccc(O)c1O;CCC(=CCc1cccc(c1O)O)C","InChI=1S/C12H16O2/c1-3-9(2)7-8-10-5-4-6-11(13)12(10)14/h4-7,13-14H,3,8H2,1-2H3/b9-7-","","2011-09-21","2011-10-07","3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol",""],["NMA","N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-2-METHYLALANINE","C12 H19 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)C;Cc1ncc(CO[P](O)(O)=O)c(CNC(C)(C)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O","InChI=1S/C12H19N2O7P/c1-7-10(15)9(5-14-12(2,3)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,5-6H2,1-3H3,(H,16,17)(H2,18,19,20)","N-PYRIDOXYL-2-METHYLALANINE-5-PHOSPHATE","1999-11-17","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-D-alanine",""],["6PQ","5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole","C16 H17 N3 O S","c3(c2cc(Cc1ccc(OC)cc1)nn2)sc(nc3C)C;COc1ccc(Cc2cc([nH]n2)c3sc(C)nc3C)cc1;Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC","InChI=1S/C16H17N3OS/c1-10-16(21-11(2)17-10)15-9-13(18-19-15)8-12-4-6-14(20-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,18,19)","","2016-05-18","2016-09-02","5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole","2016-09-07"],["NMB","2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL","C32 H34 N2 O6 S","O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5;O[CH]1[CH](O)[CH](COc2ccccc2)N(Cc3ccccc3)[S](=O)(=O)N(Cc4ccccc4)[CH]1COc5ccccc5;c1ccc(cc1)CN2C(C(C(C(N(S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5","InChI=1S/C32H34N2O6S/c35-31-29(23-39-27-17-9-3-10-18-27)33(21-25-13-5-1-6-14-25)41(37,38)34(22-26-15-7-2-8-16-26)30(32(31)36)24-40-28-19-11-4-12-20-28/h1-20,29-32,35-36H,21-24H2/t29-,30-,31+,32+/m1/s1","","1999-07-08","2011-06-04","(3R,4S,5S,6R)-2,7-dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide",""],["6PR","(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID","C6 H11 N2 O7 P","O=C(NC(C(=O)N)CC(=O)O)CP(=O)(O)O;NC(=O)[CH](CC(O)=O)NC(=O)C[P](O)(O)=O;C(C(C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O","InChI=1S/C6H11N2O7P/c7-6(12)3(1-5(10)11)8-4(9)2-16(13,14)15/h3H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)(H2,13,14,15)/t3-/m0/s1","(PHOSPHONOACETYL)-L-ALPHA-ASPARAGINE","2006-05-26","2020-06-17","N~2~-(phosphonoacetyl)-L-alpha-asparagine",""],["NMC","N-CYCLOPROPYLMETHYL GLYCINE","C6 H11 N O2","O=C(O)CNCC1CC1;OC(=O)CNCC1CC1;C1CC1CNCC(=O)O","InChI=1S/C6H11NO2/c8-6(9)4-7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9)","","1999-07-08","2024-09-27","N-(cyclopropylmethyl)glycine",""],["6PS","2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole","C16 H17 N3 S","Cc1sc(c(n1)C)c2nnc(c2)C(c3ccccc3)C;C[CH](c1ccccc1)c2cc([nH]n2)c3sc(C)nc3C;Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)c3ccccc3","InChI=1S/C16H17N3S/c1-10(13-7-5-4-6-8-13)14-9-15(19-18-14)16-11(2)17-12(3)20-16/h4-10H,1-3H3,(H,18,19)/t10-/m1/s1","","2016-05-18","2016-09-02","2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole","2016-09-07"],["NMD","N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE","C30 H30 N6 O6","O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c(ncnc23)NCc5c4ccccc4ccc5)CO;COc1cc(OC)cc(c1)C(=O)N[CH]2[CH](O)[CH](CO)O[CH]2n3cnc4c(NCc5cccc6ccccc56)ncnc34;COc1cc(cc(c1)OC)C(=O)NC2C(C(OC2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O","InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1","","2001-02-21","2011-06-04","2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-(naphthalen-1-ylmethyl)adenosine",""],["6PT","4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid","C21 H19 N3 O4","c3cc(NC=2C(=O)N(N=C(c1ccccc1)C=2C(C)=O)CC)ccc3C(=O)O;CCN1N=C(c2ccccc2)C(=C(Nc3ccc(cc3)C(O)=O)C1=O)C(C)=O;CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O","InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-9-15(10-12-16)21(27)28)17(13(2)25)18(23-24)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,27,28)","","2016-05-18","2016-12-16","4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid","2016-12-21"],["NME","METHYLAMINE","C H5 N","NC;CN;CN","InChI=1S/CH5N/c1-2/h2H2,1H3","","1999-07-08","2024-09-27","methanamine",""],["6PU","(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine","C26 H35 F N4 O2 S","N3(CC(c1ccc(cc1)N2CCN(S(C)(=O)=O)CC2)C(C3)N(C)C)C4CCc5cccc(c45)F;CN(C)[CH]1CN(C[CH]1c2ccc(cc2)N3CCN(CC3)[S](C)(=O)=O)[CH]4CCc5cccc(F)c45;CN(C)C1CN(CC1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)C4CCc5c4c(ccc5)F","InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24+,25+/m1/s1","","2016-05-18","2017-01-20","(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine","2017-01-25"],["NMF","6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione","C10 H15 F N2 O3","O=C1C(=C(N(C(=O)N1)C)CC(CF)CO)C;CN1C(=O)NC(=O)C(=C1C[CH](CO)CF)C;CC1=C(N(C(=O)NC1=O)C)CC(CO)CF","InChI=1S/C10H15FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h7,14H,3-5H2,1-2H3,(H,12,15,16)/t7-/m0/s1","","2011-05-09","2011-07-29","6-[(2R)-3-fluoro-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione",""],["6PV","4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide","C32 H34 N6 O4","c2(ncc(c(OCC1CCNCC1)n2)c4ccc(C(=O)NCC(=O)Nc3ccccc3)cc4)Nc5cccc(OC)c5;COc1cccc(Nc2ncc(c3ccc(cc3)C(=O)NCC(=O)Nc4ccccc4)c(OCC5CCNCC5)n2)c1;COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5","InChI=1S/C32H34N6O4/c1-41-27-9-5-8-26(18-27)37-32-35-19-28(31(38-32)42-21-22-14-16-33-17-15-22)23-10-12-24(13-11-23)30(40)34-20-29(39)36-25-6-3-2-4-7-25/h2-13,18-19,22,33H,14-17,20-21H2,1H3,(H,34,40)(H,36,39)(H,35,37,38)","","2016-05-18","2017-02-24","4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide","2017-03-01"],["NMG","GUANIDINO ACETATE","C3 H7 N3 O2","O=C(O)CNC(=[N@H])N;NC(=N)NCC(O)=O;[H]N=C(N)NCC(=O)O","InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)","N-[AMINO(IMINO)METHYL]GLYCINE","2004-09-21","2021-03-01","N-carbamimidoylglycine",""],["6PW","1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol","C24 H33 N3 O3","O4CCC(NC(=O)C1C(C)(C)CN(CC1)c2ccc3c(n2)c(ccc3)C)CC4CO;Cc1cccc2ccc(nc12)N3CC[CH](C(=O)N[CH]4CCO[CH](CO)C4)C(C)(C)C3;Cc1cccc2c1nc(cc2)N3CCC(C(C3)(C)C)C(=O)NC4CCOC(C4)CO","InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1","","2016-05-18","2016-09-09","1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol","2016-09-14"],["NMH","(R)-N-(1-METHYL-HEXYL)-FORMAMIDE","C8 H17 N O","O=CNC(CCCCC)C;CCCCC[CH](C)NC=O;CCCCCC(C)NC=O","InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m1/s1","","2003-04-16","2011-06-04","N-[(1R)-1-methylhexyl]formamide",""],["6PX","methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate","C23 H31 N7 O5","C(CCCNC(N)=N)(C(Nc1c(N)ccc(c1)C(NC(C(=O)OC)Cc2ccc(cc2)O)=O)=O)N;COC(=O)[CH](Cc1ccc(O)cc1)NC(=O)c2ccc(N)c(NC(=O)[CH](N)CCCNC(N)=N)c2;COC(=O)C(Cc1ccc(cc1)O)NC(=O)c2ccc(c(c2)NC(=O)C(CCCNC(=N)N)N)N","InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-16(24)18(12-14)29-21(33)17(25)3-2-10-28-23(26)27/h4-9,12,17,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t17-,19-/m0/s1","","2016-05-19","2017-03-24","methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate","2017-03-29"],["NMI","3-(1-methyl-1H-indol-3-yl)propanoic acid","C12 H13 N O2","O=C(O)CCc2c1ccccc1n(c2)C;Cn1cc(CCC(O)=O)c2ccccc12;Cn1cc(c2c1cccc2)CCC(=O)O","InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)","","2014-04-07","2024-09-27","3-(1-methyl-1H-indol-3-yl)propanoic acid","2014-06-18"],["6PY","5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon\nic acid","C16 H27 N5 O9","N(C1C(C(C(OC(NCCOC)=O)C(CO)O)OC(=C1)C(=O)O)NC(C)=O)/C(N)=N;COCCNC(=O)O[CH]([CH](O)CO)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CO)O)OC(=O)NCCOC)C(=O)O)NC(=N)N","InChI=1S/C16H27N5O9/c1-7(23)20-11-8(21-15(17)18)5-10(14(25)26)29-13(11)12(9(24)6-22)30-16(27)19-3-4-28-2/h5,8-9,11-13,22,24H,3-4,6H2,1-2H3,(H,19,27)(H,20,23)(H,25,26)(H4,17,18,21)/t8-,9+,11+,12+,13+/m0/s1","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-\nenonic acid","2016-05-19","2020-07-17","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-\nenonic acid","2016-06-29"],["NMJ","6-chloropyrazine-2-carboxylic acid","C5 H3 Cl N2 O2","c1c(C(O)=O)nc(cn1)Cl;OC(=O)c1cncc(Cl)n1;c1c(nc(cn1)Cl)C(=O)O","InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)","","2019-05-20","2020-01-31","6-chloropyrazine-2-carboxylic acid","2020-02-05"],["6PZ","5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid","C13 H22 N2 O8","C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(C1C(C(CC(O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O","InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1","(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl\nic acid; Pseudaminic acid; 5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulosonic acid;\n5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic acid;\n5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-manno-non-2-ulosonic acid","2016-05-19","2020-07-17","(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl\nic acid","2017-03-08"],["NMK","N-methyl Lysine","C7 H17 N2 O2","CN[CH](CCCC[NH3+])C(O)=O;CNC(CCCC[NH3+])C(=O)O","InChI=1S/C7H16N2O2/c1-9-6(7(10)11)4-2-3-5-8/h6,9H,2-5,8H2,1H3,(H,10,11)/p+1/t6-/m0/s1","","2018-10-10","2024-09-27","[(5~{S})-5-(methylamino)-6-oxidanyl-6-oxidanylidene-hexyl]azanium","2019-01-16"],["6Q0","~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide","C18 H18 N2 O3 S","Cc1onc(C)c1c2ccc(CN[S](=O)(=O)c3ccccc3)cc2;Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3","InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)16-10-8-15(9-11-16)12-19-24(21,22)17-6-4-3-5-7-17/h3-11,19H,12H2,1-2H3","","2016-06-03","2016-12-02","~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide","2016-12-07"],["NML","N-METHYLACETAMIDE","C3 H7 N O","O=C(NC)C;CNC(C)=O;CC(=O)NC","InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","","2006-10-27","2024-09-27","N-methylacetamide",""],["6Q1","15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te\ntraazacyclotetradecin-8(3H)-one","C26 H35 N7 O","c1cc(ccc1CN2CCN(C)CC2)c3cn4c5c3cnc(NCCCCC(NCCC4)=O)n5;CN1CCN(CC1)Cc2ccc(cc2)c3cn4CCCNC(=O)CCCCNc5ncc3c4n5;CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4","InChI=1S/C26H35N7O/c1-31-13-15-32(16-14-31)18-20-6-8-21(9-7-20)23-19-33-12-4-11-27-24(34)5-2-3-10-28-26-29-17-22(23)25(33)30-26/h6-9,17,19H,2-5,10-16,18H2,1H3,(H,27,34)(H,28,29,30)","UNC2434","2016-05-19","2020-06-17","15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]tetraazacyclotetradecin-8(3H)-one","2017-01-11"],["NMM","(2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid","C7 H16 N4 O2","O=C(O)C(N)CCCNC(=[N@H])NC;CNC(=N)NCCC[CH](N)C(O)=O;[H]N=C(NC)NCCCC(C(=O)O)N","InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1","L-NMMA","2005-12-28","2024-09-27","N~5~-(N-methylcarbamimidoyl)-L-ornithine",""],["6Q2","4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one","C21 H19 N3 O2","c1(cccc(OC)c1)Nc4c2C(=O)NCCc2nc(c3ccccc3)c4;COc1cccc(Nc2cc(nc3CCNC(=O)c23)c4ccccc4)c1;COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4","InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)","","2016-05-19","2017-03-24","4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one","2017-03-29"],["NMN","BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE","C11 H16 N2 O8 P","O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N","InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1","NICOTINAMIDE MONONUCLEOTIDE","2001-01-24","2020-06-17","3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium",""],["6Q3","3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL","C8 H13 N3 O2","Cc1cc(OCCCO)nc(N)n1;Cc1cc(nc(n1)N)OCCCO","InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-2-3-12/h5,12H,2-4H2,1H3,(H2,9,10,11)","","2016-01-06","2016-07-15","3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropan-1-ol","2016-07-20"],["NMO","NITROGEN MONOXIDE","N O","[N]=O;[N]=O","InChI=1/HNO/c1-2/h1H","","1999-07-08","2008-10-14","nitric oxide",""],["6Q4","N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide","C28 H38 F3 N7 O2","c1(c(C(F)(F)F)cnc(n1)Nc2ccc(cc2)C(N(C)C3CCN(CC3)C)=O)NC4CCCC4C(=O)NC(C)C;CC(C)NC(=O)[CH]1CCC[CH]1Nc2nc(Nc3ccc(cc3)C(=O)N(C)C4CCN(C)CC4)ncc2C(F)(F)F;CC(C)NC(=O)C1CCCC1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F","InChI=1S/C28H38F3N7O2/c1-17(2)33-25(39)21-6-5-7-23(21)35-24-22(28(29,30)31)16-32-27(36-24)34-19-10-8-18(9-11-19)26(40)38(4)20-12-14-37(3)15-13-20/h8-11,16-17,20-21,23H,5-7,12-15H2,1-4H3,(H,33,39)(H2,32,34,35,36)/t21-,23+/m0/s1","","2016-05-20","2016-08-12","N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide","2016-08-17"],["NMP","2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE","C17 H32 N6 O3 S","O=C(NCCCS)C(NC(=O)CNC(=O)C(NC(=[N@H])N)C1CCCCC1)C;C[CH](NC(=O)CNC(=O)[CH](NC(N)=N)C1CCCCC1)C(=O)NCCCS;CC(C(=O)NCCCS)NC(=O)CNC(=O)C(C1CCCCC1)NC(=N)N","InChI=1S/C17H32N6O3S/c1-11(15(25)20-8-5-9-27)22-13(24)10-21-16(26)14(23-17(18)19)12-6-3-2-4-7-12/h11-12,14,27H,2-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)(H4,18,19,23)/t11-,14+/m0/s1","","2002-07-09","2024-09-27","N-[(2R)-2-carbamimidamido-2-cyclohexylacetyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamide",""],["6Q5","Ursolic acid ","C30 H48 O3","OC(C32CCC1(C)C5(C(CC=C1C2C(C(CC3)C)C)C4(CCC(O)C(C)(C)C4CC5)C)C)=O;C[CH]1CC[C]2(CC[C]3(C)C(=CC[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C)[CH]2[CH]1C)C(O)=O;CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O","InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1","(3beta,5beta,18alpha,20beta)-3-hydroxyurs-12-en-28-oic acid","2016-05-20","2021-03-13","(3beta,5beta,18alpha,20beta)-3-hydroxyurs-12-en-28-oic acid","2017-05-31"],["NMQ","N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE","C9 H13 Be F3 N2 O9 P2","CN(CCO[P](O)(=O)O[P](O)(=O)O[Be-](F)(F)F)c1ccccc1[N+]([O-])=O;[Be-](OP(=O)(O)OP(=O)(O)OCCN(C)c1ccccc1[N+](=O)[O-])(F)(F)F","InChI=1S/C9H14N2O9P2.Be.3FH/c1-10(8-4-2-3-5-9(8)11(12)13)6-7-19-22(17,18)20-21(14,15)16;;;;/h2-5H,6-7H2,1H3,(H,17,18)(H2,14,15,16);;3*1H/q;+3;;;/p-4","","1999-09-22","2011-06-04","trifluoro-[hydroxy-[hydroxy-[2-[methyl-(2-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium",""],["6Q6","(3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one","C25 H31 N O6","N1(CC(CC(C1)C)C)C(=O)CC(c2cc3c(cc2)OCO3)c4c(OC)cc(cc4O)OC;COc1cc(O)c([CH](CC(=O)N2C[CH](C)C[CH](C)C2)c3ccc4OCOc4c3)c(OC)c1;CC1CC(CN(C1)C(=O)CC(c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C","InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15-,16+,19-/m0/s1","","2016-05-20","2017-05-26","(3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one","2017-05-31"],["NMR","[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron","C6 H4 B Cl2 O2","O[B](=O)c1cc(Cl)cc(Cl)c1;B(=O)(c1cc(cc(c1)Cl)Cl)O","InChI=1S/C6H4BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10H","","2021-02-26","2021-06-25","[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron","2021-06-30"],["6Q7","4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid","C27 H26 N2 O4 S","c4c(c3cc(c1cc(ccc1)C(C)(C)C)n(c2ccc(cc2)S(C)(=O)=O)n3)ccc(c4)C(O)=O;CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)[S](C)(=O)=O)c4ccc(cc4)C(O)=O;CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O","InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)","","2016-05-20","2016-06-17","4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid","2016-06-22"],["NMS","1-(O2-(2-METHYLAMINO-2-OXO-ETHYL)-O5-HYDROXYPHOSPHINYL-BETA-D-RIBOFURANOSYL)THYMINE","C13 H20 N3 O10 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCC(=O)NC)COP(=O)(O)O;CNC(=O)CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCC(=O)NC","InChI=1S/C13H20N3O10P/c1-6-3-16(13(20)15-11(6)19)12-10(24-5-8(17)14-2)9(18)7(26-12)4-25-27(21,22)23/h3,7,9-10,12,18H,4-5H2,1-2H3,(H,14,17)(H,15,19,20)(H2,21,22,23)/t7-,9-,10-,12-/m1/s1","","2004-11-24","2011-06-04","5-methyl-2'-O-[2-(methylamino)-2-oxoethyl]uridine 5'-(dihydrogen phosphate)",""],["6Q8","~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide","C20 H18 F N5 O3 S","Cc1[nH]c(c(C)c1[S](=O)(=O)Nc2ccc3c[nH]nc3c2)C(=O)Nc4ccc(F)cc4;Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3","InChI=1S/C20H18FN5O3S/c1-11-18(20(27)24-15-7-4-14(21)5-8-15)23-12(2)19(11)30(28,29)26-16-6-3-13-10-22-25-17(13)9-16/h3-10,23,26H,1-2H3,(H,22,25)(H,24,27)","","2016-05-23","2016-10-14","~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide","2016-10-19"],["NMT","1-(O2-(METHYLCARBAMOYL)-O5-HYDROXYPHOSPHINYL-BETA-D-RIBOFURANOSYL)THYMINE","C12 H20 N3 O10 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OC(O)NC)COP(=O)(O)O;CN[CH](O)O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC(NC)O","InChI=1S/C12H20N3O10P/c1-5-3-15(11(18)14-9(5)17)10-8(25-12(19)13-2)7(16)6(24-10)4-23-26(20,21)22/h3,6-8,10,12-13,16,19H,4H2,1-2H3,(H,14,17,18)(H2,20,21,22)/t6-,7-,8-,10-,12+/m1/s1","","2004-11-22","2011-06-04","2'-O-[(S)-hydroxy(methylamino)methyl]-5-methyluridine 5'-(dihydrogen phosphate)",""],["6Q9","~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide","C12 H13 N5 O2 S","Cc1[nH]nc(C)c1[S](=O)(=O)Nc2ccc3c[nH]nc3c2;Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2","InChI=1S/C12H13N5O2S/c1-7-12(8(2)15-14-7)20(18,19)17-10-4-3-9-6-13-16-11(9)5-10/h3-6,17H,1-2H3,(H,13,16)(H,14,15)","","2016-05-23","2016-10-14","~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide","2016-10-19"],["NMU","N-METHYLUREA","C2 H6 N2 O","O=C(N)NC;CNC(N)=O;CNC(=O)N","InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","","2005-04-22","2011-06-04","1-methylurea",""],["6QA","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{R},3~{R},5~{R},6~{S})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate","C32 H54 N7 O21 P3 S","C[CH]1O[CH](OCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)[CH](O)C[CH]1O;CC1C(CC(C(O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O","InChI=1S/C32H54N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h15-20,24-26,30-31,40-41,44-45H,4-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1","","2016-05-23","2016-08-18","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{R},3~{R},5~{R},6~{S})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate","2016-08-23"],["NMV","6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide","C14 H16 N4 O","NCc1ccc(CNc2ccc(cn2)C(N)=O)cc1;c1cc(ccc1CN)CNc2ccc(cn2)C(=O)N","InChI=1S/C14H16N4O/c15-7-10-1-3-11(4-2-10)8-17-13-6-5-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)","","2022-08-17","2023-09-23","6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide","2023-06-14"],["6QB","1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one","C21 H18 Cl F N6 O2","Cn1nccc1Nc2nccc(n2)C3=CC(=O)N(C=C3)[CH](CO)c4ccc(Cl)c(F)c4;Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)C(CO)c4ccc(c(c4)F)Cl","InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1","","2016-05-23","2016-07-01","1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one","2016-07-06"],["NMW","[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone","C23 H22 N2 O5","COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O;COc1cc2c(cc1OC)C(N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4","InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1","","2019-12-06","2020-10-09","[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone","2020-10-14"],["6QC","~{N}-[(2~{S})-1-[[(2~{R})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","C21 H36 N3 O5 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC[CH](C)C(C)C;CC(C)CC(C(=O)NCC(C)C(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H36N3O5P/c1-15(2)11-19(20(25)22-12-17(5)16(3)4)24-30(27,28)14-23-21(26)29-13-18-9-7-6-8-10-18/h6-10,15-17,19H,11-14H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t17-,19-/m0/s1","JC148","2016-05-23","2021-03-01","~{N}-[(2~{S})-1-[[(2~{R})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","2016-12-21"],["NMX","NITROMETHYLDETHIA COENZYME A","C22 H37 N8 O18 P3","[O-][N+](=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCC[N+]([O-])=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCC[N+](=O)[O-])O","InChI=1S/C22H37N8O18P3/c1-22(2,17(33)20(34)25-6-4-13(31)24-5-3-7-30(35)36)9-45-51(42,43)48-50(40,41)44-8-12-16(47-49(37,38)39)15(32)21(46-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,32-33H,3-9H2,1-2H3,(H,24,31)(H,25,34)(H,40,41)(H,42,43)(H2,23,26,27)(H2,37,38,39)/t12-,15-,16-,17+,21-/m1/s1","","1999-07-08","2012-01-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-({3-[(3-nitropropyl)amino]-3-oxopropyl}amino)-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["6QD","5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid","C10 H15 N4 O4 P","O[P](O)(=O)CCCCCn1cnc2C(=O)N=CNc12;c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O","InChI=1S/C10H15N4O4P/c15-10-8-9(11-6-12-10)14(7-13-8)4-2-1-3-5-19(16,17)18/h6-7H,1-5H2,(H,11,12,15)(H2,16,17,18)","9-[5-(phosphonoheptyl]hypoxanthine","2016-05-23","2021-03-01","5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid","2016-11-09"],["NMY","NEOMYCIN","C23 H46 N6 O13","O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N)[CH]3O)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N","InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1","MYCIFRADIN; NEOMAS; PIMAVECORT; VONAMYCIN","2007-07-25","2020-06-17","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",""],["6QE","~{N}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide","C22 H22 F2 N2 O4 S","Cc1noc(COc2cccc(F)c2F)c1c3ccc(CN[S](=O)(=O)C4(C)CC4)cc3;Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C","InChI=1S/C22H22F2N2O4S/c1-14-20(19(30-26-14)13-29-18-5-3-4-17(23)21(18)24)16-8-6-15(7-9-16)12-25-31(27,28)22(2)10-11-22/h3-9,25H,10-13H2,1-2H3","","2016-06-03","2016-12-02","~{N}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide","2016-12-07"],["NMZ","(2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy\n}-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide","C27 H52 F N7 O14","FC1C(O)C(N)C(OC1CN)OC4C(N)CC(NC(=O)C(O)CCN)C(O)C4OC3OC(C(OC2OC(CN)C(O)C(O)C2N)C3O)CO;NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](F)[CH](O)[CH]2N)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N)[CH]3O)[CH]1O;C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)OC3C(C(C(C(O3)CN)O)O)N)O)OC4C(C(C(C(O4)CN)F)O)N)N","InChI=1S/C27H52FN7O14/c28-13-10(4-30)44-25(14(33)18(13)40)47-21-7(32)3-8(35-24(43)9(37)1-2-29)16(38)23(21)49-27-20(42)22(12(6-36)46-27)48-26-15(34)19(41)17(39)11(5-31)45-26/h7-23,25-27,36-42H,1-6,29-34H2,(H,35,43)/t7-,8+,9-,10+,11-,12+,13-,14+,15+,16-,17+,18-,19+,20+,21+,22+,23+,25+,26+,27-/m0/s1","1-N-[(S)-4-Amino-2-hydroxybutanoyl]-4'-deoxy-4'-fluoro-4'-epineomycin","2014-05-16","2020-06-17","(2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide","2015-01-07"],["6QF","phenazin-1-ol","C12 H8 N2 O","Oc1cccc2nc3ccccc3nc12;c1ccc2c(c1)nc3cccc(c3n2)O","InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H","1-hydroxyphenazine","2016-05-23","2020-06-17","phenazin-1-ol","2016-12-07"],["NN0","6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione","C21 H19 Cl N2 O5","CN1C(=O)N(C2CCCC2)C(=O)c3cc(Cl)c(cc13)C(=O)C4=C(O)C=CCC4=O;CN1c2cc(c(cc2C(=O)N(C1=O)C3CCCC3)Cl)C(=O)C4=C(C=CCC4=O)O","InChI=1S/C21H19ClN2O5/c1-23-15-10-12(19(27)18-16(25)7-4-8-17(18)26)14(22)9-13(15)20(28)24(21(23)29)11-5-2-3-6-11/h4,7,9-11,25H,2-3,5-6,8H2,1H3","","2023-01-17","2023-12-15","6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione","2023-12-20"],["6QG","3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione","C21 H22 N2 O4 S","Cc1noc2COc3cccc(CCC[S](=O)(=O)NCc4ccc(cc4)c12)c3;Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4","InChI=1S/C21H22N2O4S/c1-15-21-18-9-7-17(8-10-18)13-22-28(24,25)11-3-5-16-4-2-6-19(12-16)26-14-20(21)27-23-15/h2,4,6-10,12,22H,3,5,11,13-14H2,1H3","","2016-06-03","2016-12-02","","2016-12-07"],["6QH","5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide","C16 H16 Cl N5 O3","COc1ccc(cc1Cl)c2ocnc2C(=O)NCCCn3cncn3;COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3","InChI=1S/C16H16ClN5O3/c1-24-13-4-3-11(7-12(13)17)15-14(20-10-25-15)16(23)19-5-2-6-22-9-18-8-21-22/h3-4,7-10H,2,5-6H2,1H3,(H,19,23)","","2016-05-24","2016-09-16","5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide","2016-09-21"],["NN1","2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE","C21 H27 Cl F N O4 S","Fc4ccc(OC(C(=O)NC2C1CC3CC(C1)(CC2C3)S(=O)(=O)C)(C)C)c(Cl)c4;CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC2[CH]3CC4C[CH]2CC(C4)(C3)[S](C)(=O)=O;CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F","InChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)29(3,26)27/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)/t12-,13-,14+,18-,21-","","2006-10-26","2011-06-04","2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,3S,5S,7s)-5-(methylsulfonyl)tricyclo[3.3.1.1~3,7~]dec-2-yl]propanamide",""],["6QI","[(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone","C26 H31 N3 O3","COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOC[CH](C3)Cc4cccc5[nH]ncc45;COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOCC(C3)Cc4cccc5c4cn[nH]5","InChI=1S/C26H31N3O3/c1-31-22-9-7-21(8-10-22)26(11-2-3-12-26)25(30)29-13-14-32-18-19(17-29)15-20-5-4-6-24-23(20)16-27-28-24/h4-10,16,19H,2-3,11-15,17-18H2,1H3,(H,27,28)/t19-/m1/s1","","2021-09-27","2022-04-22","[(6~{R})-6-(1~{H}-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone","2022-04-27"],["NN2","1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE","C21 H18 F N3 O4 S","Fc3cc4C(O)=C(C2=Nc1c(cccc1)S(=O)(=O)N2)C(=O)N(c4cc3)CCC5CC5;OC1=C(C(=O)N(CCC2CC2)c3ccc(F)cc13)C4=Nc5ccccc5[S](=O)(=O)N4;c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O","InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)","","2006-04-10","2011-06-04","1-(2-cyclopropylethyl)-3-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1H)-one",""],["NN3","3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID","C22 H27 N O3 S","O=C(O)c2sc(cc2N(C(=O)C1CCC(C)CC1)C(C)C)c3ccccc3;CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c2cc(sc2C(O)=O)c3ccccc3;CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C","InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17-","","2006-04-10","2011-06-04","3-{[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino}-5-phenylthiophene-2-carboxylic acid",""],["6QJ","(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone","C19 H14 F N O3","Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3;Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F","InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3","","2016-06-04","2016-12-16","(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone","2016-12-21"],["NN4","(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE","C22 H30 N2 O4","O=C(N)C14CC3CC(CC(C1)C3NC(=O)C(Oc2ccc(OC)cc2)(C)C)C4;COc1ccc(OC(C)(C)C(=O)NC2[CH]3CC4C[CH]2CC(C4)(C3)C(N)=O)cc1;CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC","InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14-,15+,18-,22-","","2006-10-26","2011-06-04","(1S,3R,4S,5S,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["6QK","2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid","C13 H11 Cl N2 O4 S","COc1cc(OC)nc(Sc2cccc(Cl)c2C(O)=O)n1;COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC","InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)","","2016-05-24","2017-02-03","2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid","2017-02-08"],["NN5","[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone","C25 H25 N5 O3","Cc1cc(cc(C)c1O)c2ccc3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2;Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5","InChI=1S/C25H25N5O3/c1-16-13-20(14-17(2)23(16)31)19-5-8-22-27-25(28-30(22)15-19)26-21-6-3-18(4-7-21)24(32)29-9-11-33-12-10-29/h3-8,13-15,31H,9-12H2,1-2H3,(H,26,28)","","2019-12-06","2020-05-08","[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone","2020-05-13"],["6QL","2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid","C19 H18 N4 O8","COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(O)=O)n1;COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC","InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)","","2016-05-24","2017-02-03","2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid","2017-02-08"],["NN6","~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide","C17 H14 F4 N4 O","NC(N)=N/C(=O)N1CCc2c(C1)c(ccc2F)c1c(F)cc(F)cc1F;NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)c3c(F)cc(F)cc3F;c1cc(c2c(c1c3c(cc(cc3F)F)F)CN(CC2)C(=O)N=C(N)N)F","InChI=1S/C17H14F4N4O/c18-8-5-13(20)15(14(21)6-8)10-1-2-12(19)9-3-4-25(7-11(9)10)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)","","2022-04-06","2022-07-15","N-(diaminomethylidene)-5-fluoro-8-(2,4,6-trifluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide","2022-07-20"],["6QM","4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL","C18 H18 N2 O3 S","n1nsc(c1c2c(O)cc(O)c(c2)CC)c3ccc(OCC)cc3;CCOc1ccc(cc1)c2snnc2c3cc(CC)c(O)cc3O;CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC","InChI=1S/C18H18N2O3S/c1-3-11-9-14(16(22)10-15(11)21)17-18(24-20-19-17)12-5-7-13(8-6-12)23-4-2/h5-10,21-22H,3-4H2,1-2H3","","2011-05-10","2012-05-11","4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol",""],["NN7","N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide","C25 H27 F N4 O2 S","O=S(=O)(c1c(cc(cc1C)C)C)NC(C)CNc2cccc3c2cnn3c4ccc(F)cc4;C[CH](CNc1cccc2n(ncc12)c3ccc(F)cc3)N[S](=O)(=O)c4c(C)cc(C)cc4C;Cc1cc(c(c(c1)C)S(=O)(=O)NC(C)CNc2cccc3c2cnn3c4ccc(cc4)F)C","InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1","","2014-03-07","2014-05-02","N-[(2S)-1-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}propan-2-yl]-2,4,6-trimethylbenzenesulfonamide","2014-05-07"],["6QN","~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide","C11 H11 N3 O3","CCNC(=O)C1=C(O)c2ccncc2NC1=O;CCNC(=O)C1=C(c2ccncc2NC1=O)O","InChI=1S/C11H11N3O3/c1-2-13-10(16)8-9(15)6-3-4-12-5-7(6)14-11(8)17/h3-5H,2H2,1H3,(H,13,16)(H2,14,15,17)","","2016-05-24","2016-08-05","~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide","2016-08-10"],["NN8","[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone","C23 H22 N2 O5","COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O;COc1cc2c(cc1OC)C(N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4","InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1","","2019-12-06","2020-10-09","[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone","2020-10-14"],["6QO","(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone","C18 H11 F2 N O3","Oc1cc(ccc1F)C(=O)c2cccc(n2)c3cccc(O)c3F;c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F","InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H","","2016-06-06","2016-12-16","(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone","2016-12-21"],["NN9","6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide","C14 H16 N4 O","NCc1cccc(CNc2ccc(cn2)C(N)=O)c1;c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN","InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)","","2022-08-17","2023-09-23","6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide","2023-06-14"],["6QP","2-chloranyl-6-fluoranyl-~{N}-[(2~{R})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide","C22 H17 Cl F2 N2 O5 S","OC[CH]1CN(c2cc(NC(=O)c3c(F)cccc3Cl)ccc2O1)[S](=O)(=O)c4ccc(F)cc4;c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(CC(O3)CO)S(=O)(=O)c4ccc(cc4)F)F","InChI=1S/C22H17ClF2N2O5S/c23-17-2-1-3-18(25)21(17)22(29)26-14-6-9-20-19(10-14)27(11-15(12-28)32-20)33(30,31)16-7-4-13(24)5-8-16/h1-10,15,28H,11-12H2,(H,26,29)/t15-/m1/s1","","2016-05-25","2017-05-26","2-chloranyl-6-fluoranyl-~{N}-[(2~{R})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide","2017-05-31"],["NNA","(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C36 H63 N5 O7 S","O=C(N3C(C(=O)NC(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(C)C;CCCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2(C)C)[CH](O)C(=O)NC4CC4;CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C","InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1","Narlaprevir, bound form","2010-03-09","2024-09-27","(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide",""],["6QQ","6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile","C18 H17 B Cl N2 O6","CC(=O)CCCOc1nc(Oc2ccc3c(CO[B-]3(O)O)c2)c(Cl)cc1C#N;[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O","InChI=1S/C18H17BClN2O6/c1-11(23)3-2-6-26-17-12(9-21)8-16(20)18(22-17)28-14-4-5-15-13(7-14)10-27-19(15,24)25/h4-5,7-8,24-25H,2-3,6,10H2,1H3/q-1","","2016-05-25","2017-06-06","6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile","2017-05-31"],["NNB","O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate","C17 H13 Br N2 O3 S","Brc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O;Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1;c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br","InChI=1S/C17H13BrN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)","","2007-11-08","2011-06-04","O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate",""],["6QR","(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C18 H20 N2 O4 S","C[CH](O)[CH](C=O)[CH]1N=C([CH](Sc2c[nH]c3ccccc23)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)Sc2c[nH]c3c2cccc3","InChI=1S/C18H20N2O4S/c1-9-15(12(8-21)10(2)22)20-16(18(23)24)17(9)25-14-7-19-13-6-4-3-5-11(13)14/h3-10,12,15,17,19,22H,1-2H3,(H,23,24)/t9-,10+,12-,15-,17-/m1/s1","","2016-05-25","2024-09-27","(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2016-11-09"],["NNC","O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate","C17 H13 Cl N2 O3 S","Clc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O;Clc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1;c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl","InChI=1S/C17H13ClN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)","","2007-11-08","2011-06-04","O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate",""],["6QS","[(2~{R})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate","C30 H32 N2 O4","CCn1c2ccccc2c3cc(ccc13)[CH]4C(=C(C)NC5=C4C(=O)CCC5)C(=O)OC[CH]6CCCO6;CCn1c2ccccc2c3c1ccc(c3)C4C5=C(CCCC5=O)NC(=C4C(=O)OCC6CCCO6)C","InChI=1S/C30H32N2O4/c1-3-32-24-11-5-4-9-21(24)22-16-19(13-14-25(22)32)28-27(30(34)36-17-20-8-7-15-35-20)18(2)31-23-10-6-12-26(33)29(23)28/h4-5,9,11,13-14,16,20,28,31H,3,6-8,10,12,15,17H2,1-2H3/t20-,28+/m1/s1","","2016-05-25","2016-07-22","[(2~{R})-oxolan-2-yl]methyl (4~{R})-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate","2016-07-27"],["NND","(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL","C15 H31 N O4","OCC1N(CCCCCCCCC)CC(O)C(O)C1O;CCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO;CCCCCCCCCN1CC(C(C(C1CO)O)O)O","InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1","N-NONYL-DEOXYNOJIRIMYCIN","2007-06-18","2021-03-01","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol",""],["6QT","(2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one","C15 H12 O4","Oc1cccc(c1)[CH]2CC(=O)c3cc(O)ccc3O2;c1cc(cc(c1)O)C2CC(=O)c3cc(ccc3O2)O","InChI=1S/C15H12O4/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-7,15-17H,8H2/t15-/m1/s1","","2016-05-26","2017-03-17","(2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one","2017-03-22"],["6QU","[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone","C18 H11 F2 N O4","Oc1cccc(c1F)c2cccc(n2)C(=O)c3ccc(F)c(O)c3O;c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F","InChI=1S/C18H11F2NO4/c19-11-8-7-10(17(24)18(11)25)16(23)13-5-2-4-12(21-13)9-3-1-6-14(22)15(9)20/h1-8,22,24-25H","","2016-06-06","2016-12-16","[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone","2016-12-21"],["NNE","N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}","C30 H32 Cl4 N2 O6","C=C(/C(c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(COc2ccc(c(c2Cl)Cl)C(=O)/C(CC)=C)=O)=O)CC;CCC(=C)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)COc2ccc(c(Cl)c2Cl)C(=O)C(=C)CC)c(Cl)c1Cl;CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC","InChI=1S/C30H32Cl4N2O6/c1-5-17(3)29(39)19-9-11-21(27(33)25(19)31)41-15-23(37)35-13-7-8-14-36-24(38)16-42-22-12-10-20(26(32)28(22)34)30(40)18(4)6-2/h9-12H,3-8,13-16H2,1-2H3,(H,35,37)(H,36,38)","","2016-08-19","2017-11-03","N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}","2017-11-08"],["NNF","2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one","C15 H17 F N4 O","Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3;CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3;CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F","InChI=1S/C15H17FN4O/c1-11-10-14(21)18-15(17-11)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)","","2010-09-30","2011-06-04","2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one",""],["6QV","(4-nitrophenoxy)-phenyl-phosphinic acid","C12 H10 N O5 P","O[P](=O)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2;c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]","InChI=1S/C12H10NO5P/c14-13(15)10-6-8-11(9-7-10)18-19(16,17)12-4-2-1-3-5-12/h1-9H,(H,16,17)","","2016-05-26","2017-04-21","(4-nitrophenoxy)-phenyl-phosphinic acid","2017-04-26"],["NNG","2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose","C7 H17 N O10 P2","O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O;C[P](O)(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;CP(=O)(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O","InChI=1S/C7H17NO10P2/c1-19(12,13)8-4-6(10)5(9)3(18-7(4)11)2-17-20(14,15)16/h3-7,9-11H,2H2,1H3,(H2,8,12,13)(H2,14,15,16)/t3-,4-,5-,6-,7+/m1/s1","N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE;\n2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucose;\n2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-D-glucose;\n2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-glucose","2007-03-26","2020-07-17","2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose",""],["6QW","~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide","C26 H31 N O4 S2","CC(C)CN(Cc1ccc(c(C)c1)c2ccc(cc2)[S](C)(=O)=O)[S](=O)(=O)Cc3ccccc3;Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3","InChI=1S/C26H31NO4S2/c1-20(2)17-27(33(30,31)19-22-8-6-5-7-9-22)18-23-10-15-26(21(3)16-23)24-11-13-25(14-12-24)32(4,28)29/h5-16,20H,17-19H2,1-4H3","","2016-05-26","2017-05-26","~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide","2017-05-31"],["NNH","NOR-N-OMEGA-HYDROXY-L-ARGININE","C5 H12 N4 O3","O=C(O)C(N)CCNC(=[N@H])NO;N[CH](CCNC(=N)NO)C(O)=O;[H]N=C(NCCC(C(=O)O)N)NO","InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1","","2000-12-19","2011-06-04","(2S)-2-amino-4-(N'-hydroxycarbamimidamido)butanoic acid",""],["6QX","~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine","C17 H24 N4 S","CN(C)[CH]1CC[CH](CC1)Nc2ncnc3sc4CCCc4c23;CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4","InChI=1S/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12-","","2016-05-26","2017-12-01","~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine","2017-12-06"],["6QY","~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine","C19 H29 N5 O","CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23;CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4","InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-","","2016-05-26","2017-12-01","~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine","2017-12-06"],["NNI","O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate","C17 H13 I N2 O3 S","Ic1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O;Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1;c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I","InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)","","2007-11-08","2011-06-04","O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate",""],["NNJ","3-(aminomethyl)-1-methylpyridinium","C7 H11 N2","NCc1ccc[n+](c1)C;C[n+]1cccc(CN)c1;C[n+]1cccc(c1)CN","InChI=1S/C7H11N2/c1-9-4-2-3-7(5-8)6-9/h2-4,6H,5,8H2,1H3/q+1","","2011-03-17","2012-07-17","3-(aminomethyl)-1-methylpyridinium",""],["6QZ","(3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one","C25 H36 N6 O2","CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45;CN1C2CCN(CC2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6","InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1","","2016-05-26","2017-12-01","(3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one","2017-12-06"],["6R0","(3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one","C25 H36 N6 O2","CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45;CN1C2CCN(CC2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6","InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1","","2016-05-26","2017-12-01","(3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one","2017-12-06"],["NNK","4-(aminomethyl)-1-methylpyridinium","C7 H11 N2","NCc1cc[n+](cc1)C;C[n+]1ccc(CN)cc1;C[n+]1ccc(cc1)CN","InChI=1S/C7H11N2/c1-9-4-2-7(6-8)3-5-9/h2-5H,6,8H2,1H3/q+1","","2011-03-17","2012-07-17","4-(aminomethyl)-1-methylpyridinium",""],["NNL","N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine","C14 H14 Cl N5","Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C;Cc1cc(NCCc2ccc(Cl)cc2)c3nncn3n1;Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl","InChI=1S/C14H14ClN5/c1-10-8-13(14-18-17-9-20(14)19-10)16-7-6-11-2-4-12(15)5-3-11/h2-5,8-9,16H,6-7H2,1H3","","2010-09-30","2012-02-27","N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine",""],["6R1","~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C21 H31 N5 O2","C1CC(CCO1)c2c[nH]c3ncnc(N[CH]4CC[CH](CC4)N5CCOCC5)c23;c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5","InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-","","2016-05-26","2017-12-01","~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2017-12-06"],["NNM","(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate","C40 H69 O4 P","C(CCCC(=C)/CCCC(=C)CCC/C(CCCC(=C)CCC/C(CCCC(=C)CCCC(=C)C)=C)=C)(CCOP(O)(O)=O)C;C[CH](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O;CC(CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O","InChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1","","2019-05-22","2019-07-05","(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate","2019-07-10"],["6R2","[bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid","C16 H28 Cl2 O6 P2","CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O;CC(=CCCC(=CCCC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)C)C)C","InChI=1S/C16H28Cl2O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-26(22,23)16(17,18)25(19,20)21/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,22,23)(H2,19,20,21)/b14-9+,15-11+","","2016-06-21","2019-06-07","[bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid","2019-06-12"],["NNN","(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol","C19 H26 N6 O","n2c1c(cnn1c(nc2NC(CC)CO)NCc3ccccc3)C(C)C;CC[CH](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c3n1;CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C","InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1","","2008-07-09","2011-06-04","(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol",""],["6R3","2-azanylpenta-1,4-dien-3-one","C5 H7 N O","NC(=C)C(=O)C=C;C=CC(=O)C(=C)N","InChI=1S/C5H7NO/c1-3-5(7)4(2)6/h3H,1-2,6H2","","2016-05-27","2024-09-27","2-azanylpenta-1,4-dien-3-one","2016-10-05"],["NNO","6-HYDROXYISONICOTINIC ACID N-OXIDE","C6 H5 N O4","O=C(O)c1c[n+]([O-])c(O)cc1;OC(=O)c1ccc(O)[n+]([O-])c1;c1cc([n+](cc1C(=O)O)[O-])O","InChI=1S/C6H5NO4/c8-5-2-1-4(6(9)10)3-7(5)11/h1-3,8H,(H,9,10)","","1999-07-08","2011-06-04","6-hydroxypyridine-3-carboxylic acid 1-oxide",""],["6R4","methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate","C15 H18 N4 O7 S","CCCOC1=NN(C(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)C(=O)N1C;CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC","InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)","Propoxycarbazone","2016-05-27","2020-06-17","methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate","2017-02-08"],["6R5","methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate","C12 H14 N4 O7 S2","COC(=O)c1csc(C)c1[S](=O)(=O)NC(=O)N2N=C(OC)N(C)C2=O;Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C","InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)","","2016-05-27","2017-02-03","methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate","2017-02-08"],["NNQ","2-nonylquinolin-4(1H)-one","C18 H25 N O","O=C2c1c(cccc1)NC(=C2)CCCCCCCCC;CCCCCCCCCC1=CC(=O)c2ccccc2N1;CCCCCCCCCC1=CC(=O)c2ccccc2N1","InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)","","2013-06-20","2013-08-02","2-nonylquinolin-4(1H)-one","2013-08-07"],["NNR","Nicotinamide riboside","C11 H15 N2 O5","O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N;NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N","InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1","3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium","2007-08-06","2020-06-17","3-carbamoyl-1-beta-D-ribofuranosylpyridinium",""],["6R6","5-nitroanthranilic acid","C7 H6 N2 O4","Nc1ccc(cc1C(O)=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)O)N","InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)","2-azanyl-5-nitro-benzoic acid","2016-05-31","2020-06-17","2-azanyl-5-nitro-benzoic acid","2016-10-05"],["NNS","4-ACETYL-AMINOPHENOL","C8 H9 N O2","O=C(Nc1ccc(O)cc1)C;CC(=O)Nc1ccc(O)cc1;CC(=O)Nc1ccc(cc1)O","InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/f/h9H","PARACETAMOL","2000-02-15","2008-10-14","N-(4-hydroxyphenyl)acetamide",""],["6R7","5-nitrosalicylic acid","C7 H5 N O5","OC(=O)c1cc(ccc1O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)O)O","InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)","5-nitro-2-oxidanyl-benzoic acid","2016-05-31","2020-06-17","5-nitro-2-oxidanyl-benzoic acid","2016-10-05"],["NNT","3-(aminomethyl)-4-chloro-1-methylpyridinium","C7 H10 Cl N2","Clc1cc[n+](cc1CN)C;C[n+]1ccc(Cl)c(CN)c1;C[n+]1ccc(c(c1)CN)Cl","InChI=1S/C7H10ClN2/c1-10-3-2-7(8)6(4-9)5-10/h2-3,5H,4,9H2,1H3/q+1","","2011-03-17","2012-07-17","3-(aminomethyl)-4-chloro-1-methylpyridinium",""],["6R8","(6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid","C7 H8 N2 O5","N[C]1(O)CC=C(C=C1C(O)=O)[N+]([O-])=O;C1C=C(C=C(C1(N)O)C(=O)O)[N+](=O)[O-]","InChI=1S/C7H8N2O5/c8-7(12)2-1-4(9(13)14)3-5(7)6(10)11/h1,3,12H,2,8H2,(H,10,11)/t7-/m1/s1","","2016-05-31","2016-09-30","(6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid","2016-10-05"],["NNU","1-(4-chloropyridin-3-yl)methanamine","C6 H7 Cl N2","Clc1ccncc1CN;NCc1cnccc1Cl;c1cncc(c1Cl)CN","InChI=1S/C6H7ClN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H,3,8H2","","2011-06-21","2012-06-15","1-(4-chloropyridin-3-yl)methanamine",""],["6R9","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate","C12 H16 N5 O8 P","CC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2016-05-31","2016-07-08","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate","2016-07-13"],["NNV","(1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid","C14 H14 N2 O4","O=C(O)C3C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3;OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH]3C(O)=O;C1C=CC2=NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O","InChI=1S/C14H14N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-2,5-8,11,16H,3-4H2,(H,17,18)(H,19,20)/t7-,8-,11+/m1/s1","","2012-10-24","2013-08-02","(1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid","2013-08-07"],["6RA","N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine","C17 H17 N3","c1cccc2[NH]c(nc12)NC1CCCc2ccccc21;C1C[CH](Nc2[nH]c3ccccc3n2)c4ccccc4C1;c1ccc2c(c1)CCCC2Nc3[nH]c4ccccc4n3","InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1","","2016-05-31","2023-05-12","N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine","2023-05-17"],["NNW","1-(pyridin-4-yl)methanamine","C6 H8 N2","n1ccc(cc1)CN;NCc1ccncc1;c1cnccc1CN","InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2","","2011-07-26","2012-06-15","1-(pyridin-4-yl)methanamine",""],["6RB","1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","C28 H30 N4 O3","COc1ccc(CN2CCc3n(CCO)nc(C(=O)NCc4ccccc4)c3C2)c5ccccc15;COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3","InChI=1S/C28H30N4O3/c1-35-26-12-11-21(22-9-5-6-10-23(22)26)18-31-14-13-25-24(19-31)27(30-32(25)15-16-33)28(34)29-17-20-7-3-2-4-8-20/h2-12,33H,13-19H2,1H3,(H,29,34)","","2016-06-07","2017-03-03","1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","2017-03-08"],["NNX","2-(aminomethyl)-4-chloro-1-methylpyridinium","C7 H10 Cl N2","Clc1cc[n+](c(c1)CN)C;C[n+]1ccc(Cl)cc1CN;C[n+]1ccc(cc1CN)Cl","InChI=1S/C7H10ClN2/c1-10-3-2-6(8)4-7(10)5-9/h2-4H,5,9H2,1H3/q+1","","2011-03-17","2012-07-17","2-(aminomethyl)-4-chloro-1-methylpyridinium",""],["6RC","4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine","C26 H27 N7 O3","COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24;COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6","InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3","","2016-06-01","2016-08-18","4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine","2016-08-23"],["6RD","5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","C28 H27 N5 O","Cn1nc(C(=O)NCc2cccc3ccccc23)c4CN(CCc14)Cc5c[nH]c6ccccc56;Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6","InChI=1S/C28H27N5O/c1-32-26-13-14-33(17-21-16-29-25-12-5-4-11-23(21)25)18-24(26)27(31-32)28(34)30-15-20-9-6-8-19-7-2-3-10-22(19)20/h2-12,16,29H,13-15,17-18H2,1H3,(H,30,34)","","2016-06-07","2017-03-03","5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","2017-03-08"],["NNY","1-(4-chloropyridin-2-yl)methanamine","C6 H7 Cl N2","Clc1ccnc(c1)CN;NCc1cc(Cl)ccn1;c1cnc(cc1Cl)CN","InChI=1S/C6H7ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2","","2011-06-22","2012-06-15","1-(4-chloropyridin-2-yl)methanamine",""],["6RE","[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium","C12 H19 N8 O3","NC(=[NH2+])NCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCNC(=[NH2+])N)O)O)N","InChI=1S/C12H18N8O3/c13-9-6-10(18-3-17-9)20(4-19-6)11-8(22)7(21)5(23-11)1-2-16-12(14)15/h3-5,7-8,11,21-22H,1-2H2,(H2,13,17,18)(H4,14,15,16)/p+1/t5-,7-,8-,11-/m1/s1","","2016-06-02","2016-11-04","[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium","2016-11-09"],["NNZ","2-(aminomethyl)-1-methylpyridinium","C7 H11 N2","NCc1[n+](cccc1)C;C[n+]1ccccc1CN;C[n+]1ccccc1CN","InChI=1S/C7H11N2/c1-9-5-3-2-4-7(9)6-8/h2-5H,6,8H2,1H3/q+1","","2011-06-22","2012-06-15","2-(aminomethyl)-1-methylpyridinium",""],["NO","NITRIC OXIDE","N O","[N]=O;[N]=O","InChI=1S/HNO/c1-2/h1H","Nitrogen monoxide","1999-07-08","2024-09-27","nitric oxide",""],["6RF","4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile","C27 H25 F N8 O","C[CH](Nc1ncnc(N)c1C#N)c2nc3ccc(F)cc3c(C(=O)N4CCNCC4)c2c5ccccc5;CC(c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N","InChI=1S/C27H25FN8O/c1-16(34-26-20(14-29)25(30)32-15-33-26)24-22(17-5-3-2-4-6-17)23(27(37)36-11-9-31-10-12-36)19-13-18(28)7-8-21(19)35-24/h2-8,13,15-16,31H,9-12H2,1H3,(H3,30,32,33,34)/t16-/m0/s1","","2016-06-02","2017-06-16","4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile","2017-06-21"],["NO0","2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide","C19 H14 N2 O","C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21;O=C(Cc1cccc(c1)C#C)Nc2cncc3ccccc23;C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3","InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22)","","2023-08-16","2023-11-03","2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["6RG","2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine","C22 H20 N4","n2c1c(ccc(c1)N)c(nc2c3ccccc3)NCCc4ccccc4;Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)c4ccccc4;c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N","InChI=1S/C22H20N4/c23-18-11-12-19-20(15-18)25-21(17-9-5-2-6-10-17)26-22(19)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14,23H2,(H,24,25,26)","","2012-02-08","2013-01-18","2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine","2013-01-18"],["NO1","4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid","C11 H11 N O3","O=C(O)c2c(c1c(cccc1n2)CO)C;Cc1c([nH]c2cccc(CO)c12)C(O)=O;Cc1c2c(cccc2[nH]c1C(=O)O)CO","InChI=1S/C11H11NO3/c1-6-9-7(5-13)3-2-4-8(9)12-10(6)11(14)15/h2-4,12-13H,5H2,1H3,(H,14,15)","","2010-11-03","2024-09-27","4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid",""],["6RH","4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid","C9 H13 N4 O4 P","O[P](O)(=O)CCCCn1cnc2C(=O)NC=Nc12;c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O","InChI=1S/C9H13N4O4P/c14-9-7-8(10-5-11-9)13(6-12-7)3-1-2-4-18(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17)","9-(4-(phosphonobutil)hypoxanthine","2016-06-02","2021-03-01","4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid","2016-11-09"],["NO2","NITRITE ION","N O2","[O-]N=O;[O-]N=O;N(=O)[O-]","InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1","","1999-07-08","2011-06-04","nitrite",""],["6RI","N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide","C23 H18 F4 N2 O3","O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1cnc(cc1CO)C(F)(F)F;OCc1cc(ncc1c2ccc(cc2)C3(COC3)C(=O)Nc4ccc(F)cc4)C(F)(F)F;c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F","InChI=1S/C23H18F4N2O3/c24-17-5-7-18(8-6-17)29-21(31)22(12-32-13-22)16-3-1-14(2-4-16)19-10-28-20(23(25,26)27)9-15(19)11-30/h1-10,30H,11-13H2,(H,29,31)","","2021-08-10","2022-03-11","N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide","2022-03-16"],["NO3","NITRATE ION","N O3","[O-][N+]([O-])=O;[O-][N+]([O-])=O;[N+](=O)([O-])[O-]","InChI=1S/NO3/c2-1(3)4/q-1","","1999-07-08","2024-09-27","nitrate",""],["6RJ","4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide","C19 H12 Cl N5 O3 S2","Clc1ccc(Oc2ccc(cc2C#N)[S](=O)(=O)Nc3sccn3)c(c1)c4c[nH]nc4;c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl","InChI=1S/C19H12ClN5O3S2/c20-14-1-3-18(16(8-14)13-10-23-24-11-13)28-17-4-2-15(7-12(17)9-21)30(26,27)25-19-22-5-6-29-19/h1-8,10-11H,(H,22,25)(H,23,24)","","2016-06-03","2017-06-02","4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide","2017-06-07"],["NO4","N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine","C15 H21 N","c1ccc(cc1)CNCCC=2CCCCC=2;C1CCC(=CC1)CCNCc2ccccc2;c1ccc(cc1)CNCCC2=CCCCC2","InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-7,9-10,16H,1,3-4,8,11-13H2","","2019-05-22","2020-11-13","N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine","2020-11-18"],["6RK","4-azanylcyclohexane-1-carboxylic acid","C7 H13 N O2","N[CH]1CC[CH](CC1)C(O)=O;C1CC(CCC1C(=O)O)N","InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-","","2016-06-03","2024-09-27","4-azanylcyclohexane-1-carboxylic acid","2016-07-13"],["NO5","(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid","C5 H12 N2 O4 S","CC(C)[CH](N[S](N)(=O)=O)C(O)=O;CC(C)C(C(=O)O)NS(=O)(=O)N","InChI=1S/C5H12N2O4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)(H2,6,10,11)/t4-/m0/s1","","2019-12-09","2019-12-13","(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid","2019-12-18"],["6RL","2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni\ntrile","C18 H20 F N5 O2","CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3cc(F)ccc3C#N)C1=O;CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCCC(C3)N","InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1","SYR-472","2016-06-06","2020-06-17","2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile","2016-07-13"],["NO6","S-[(pyridin-2-yl)methyl]-L-cysteine","C9 H12 N2 O2 S","O=C(O)C(N)CSCc1ccccn1;N[CH](CSCc1ccccn1)C(O)=O;c1ccnc(c1)CSCC(C(=O)O)N","InChI=1S/C9H12N2O2S/c10-8(9(12)13)6-14-5-7-3-1-2-4-11-7/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m0/s1","","2022-04-06","2024-09-27","S-[(pyridin-2-yl)methyl]-L-cysteine","2023-08-30"],["6RM","7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one","C18 H17 F N2 O3 S","CC1=C([CH]2C[CH]2CO)N3C(=O)C=C(COc4ccc(F)cc4)N=C3S1;CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)C4CC4CO","InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m0/s1","","2016-06-07","2016-07-08","7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one","2016-07-13"],["NO7","9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine","C13 H17 N5 O10 P2","c21ncn(c1ncnc2NCC#C)C3C(C(C(COP(O)(=O)OP(O)(O)=O)O3)O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3c(NCC#C)ncnc23;C#CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C13H17N5O10P2/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(20)9(19)7(27-13)4-26-30(24,25)28-29(21,22)23/h1,5-7,9-10,13,19-20H,3-4H2,(H,24,25)(H,14,15,16)(H2,21,22,23)/t7-,9-,10-,13+/m1/s1","","2019-05-23","2019-06-14","9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine","2019-06-19"],["6RN","4-methoxy-N-[(pyridin-2-yl)methyl]aniline","C13 H14 N2 O","c2(NCc1ncccc1)ccc(OC)cc2;COc1ccc(NCc2ccccn2)cc1;COc1ccc(cc1)NCc2ccccn2","InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-10-12-4-2-3-9-14-12/h2-9,15H,10H2,1H3","","2016-06-07","2019-02-07","4-methoxy-N-[(pyridin-2-yl)methyl]aniline","2016-07-27"],["NO8","(2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide","C33 H55 N9 O14","C[CH](N)C(=O)N1CCC[CH]1C(=O)NCC(=O)N[CH](CO)C(=O)N[CH]([CH](C)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](C)C(=O)N3CCC[CH]3C(N)=O;CC(C(C(=O)NC(C)C(=O)N1CCCC1C(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2C(=O)C(C)N)OC3C(C(C(C(O3)CO)O)O)NC(=O)C","InChI=1S/C33H55N9O14/c1-14(34)31(53)42-10-6-8-20(42)29(51)36-11-22(46)39-18(12-43)28(50)40-23(30(52)37-15(2)32(54)41-9-5-7-19(41)27(35)49)16(3)55-33-24(38-17(4)45)26(48)25(47)21(13-44)56-33/h14-16,18-21,23-26,33,43-44,47-48H,5-13,34H2,1-4H3,(H2,35,49)(H,36,51)(H,37,52)(H,38,45)(H,39,46)(H,40,50)/t14-,15-,16+,18-,19-,20-,21+,23-,24+,25-,26+,33-/m0/s1","","2019-12-09","2020-11-13","(2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide","2020-11-18"],["6RO","~{N}-(4-chlorophenyl)methanesulfonamide","C7 H8 Cl N O2 S","C[S](=O)(=O)Nc1ccc(Cl)cc1;CS(=O)(=O)Nc1ccc(cc1)Cl","InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3","","2016-06-07","2016-07-22","~{N}-(4-chlorophenyl)methanesulfonamide","2016-07-27"],["6RP","bis(pyrzol-1-yl)acetate scorpionate","C8 H8 N4 O2","OC(=O)C(n1cccn1)n2cccn2;c1cnn(c1)C(C(=O)O)n2cccn2","InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14)","BPZ","2016-06-08","2020-06-17","2,2-di(pyrazol-1-yl)ethanoic acid","2017-02-22"],["NO9","2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid","C7 H9 N O5 S","Cc1oc(C)c(c1C(O)=O)[S](N)(=O)=O;Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O","InChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12)","","2018-03-19","2020-02-14","2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid","2020-02-19"],["NOA","NAPHTHYLOXYACETIC ACID","C12 H10 O3","O=C(O)COc2cccc1ccccc12;OC(=O)COc1cccc2ccccc12;c1ccc2c(c1)cccc2OCC(=O)O","InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)","","1999-07-08","2011-06-04","(naphthalen-1-yloxy)acetic acid",""],["6RQ","5,6-dimethyl-1~{H}-benzimidazol-2-amine","C9 H11 N3","Cc1cc2[nH]c(N)nc2cc1C;Cc1cc2c(cc1C)nc([nH]2)N","InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)","","2016-06-08","2016-08-18","5,6-dimethyl-1~{H}-benzimidazol-2-amine","2016-08-23"],["NOB","(dihydroxyboranyloxy-hydroxy-boranyl)oxylithium","B2 H3 Li O5","[Li]OB(O)OB(O)O;[Li]OB(O)OB(O)O","InChI=1S/B2H3O5.Li/c3-1(4)7-2(5)6;/h3-5H;/q-1;+1","","2007-06-11","2011-06-04","(dihydroxyboranyloxy-hydroxy-boranyl)oxylithium",""],["6RR","~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine","C11 H16 N2 O2 S","Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2;Cc1c(cccn1)NC2CCCS(=O)(=O)C2","InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m1/s1","","2016-06-08","2016-10-21","~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine","2016-10-26"],["NOC","3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL","C11 H15 N5 O3","n1c(c2ncn(c2nc1)C3CC(CO)C(O)C3O)N;Nc1ncnc2n(cnc12)[CH]3C[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CO)N","InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m0/s1","NEPLANOCIN","2002-04-23","2020-06-17","(1S,2S,3R,5S)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol",""],["6RS","~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine","C17 H20 N2 O2","C[CH](Nc1cccnc1C)c2ccc3OCCCOc3c2;Cc1c(cccn1)NC(C)c2ccc3c(c2)OCCCO3","InChI=1S/C17H20N2O2/c1-12(19-15-5-3-8-18-13(15)2)14-6-7-16-17(11-14)21-10-4-9-20-16/h3,5-8,11-12,19H,4,9-10H2,1-2H3/t12-/m0/s1","","2016-06-08","2016-10-21","~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine","2016-10-26"],["NOD","N-ETHYLHYDROXY-DOXORUBICIN","C29 H33 N O12","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(NCCO)C4)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](NCCO)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O","InChI=1S/C29H33NO12/c1-12-24(34)15(30-6-7-31)8-19(41-12)42-17-10-29(39,18(33)11-32)9-14-21(17)28(38)23-22(26(14)36)25(35)13-4-3-5-16(40-2)20(13)27(23)37/h3-5,12,15,17,19,24,30-32,34,36,38-39H,6-11H2,1-2H3/t12-,15+,17-,19-,24+,29-/m0/s1","","1999-07-08","2011-06-04","(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2-hydroxyethyl)amino]-alpha-L-xylo-hexopyranoside",""],["6RT","2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine","C17 H16 N6","C1CN1c2nc(nc(n2)c3cccn3c4ccccc4)N5CC5;c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5","InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2","","2016-06-08","2016-09-23","2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine","2016-09-28"],["NOE","NITROSOETHANE","C2 H5 N O","O=NCC;CCN=O;CCN=O","InChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3","","2003-02-05","2011-06-04","nitrosoethane",""],["6RU","~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine","C17 H20 N6","CN(C)c1nc(nc(n1)c2cccn2c3ccccc3)N(C)C;CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3","InChI=1S/C17H20N6/c1-21(2)16-18-15(19-17(20-16)22(3)4)14-11-8-12-23(14)13-9-6-5-7-10-13/h5-12H,1-4H3","","2016-06-08","2016-09-23","~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine","2016-09-28"],["NOF","tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate","C34 H45 Cl Ir N5 O4 S","CC1C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CCCC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34;CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7cccc8c7c(ccc8NC(=O)CCCCC9C1C(CS9)NC(=O)N1)N6C(=O)OC(C)(C)C)Cl)C","InChI=1S/C24H31N5O4S.C10H15.ClH.Ir/c1-24(2,3)33-23(32)28-16-11-10-15(14-7-6-12-25-20(14)16)26-19(30)9-5-4-8-18-21-17(13-34-18)27-22(31)29-21;1-6-7(2)9(4)10(5)8(6)3;;/h6-7,10-12,17-18,21H,4-5,8-9,13H2,1-3H3,(H4,25,26,27,28,29,30,31,32);1-5H3;1H;/q;;;+3/p-2/t17-,18-,21-;;;/m0.../s1","iridium catalyst for CH activation","2022-08-17","2023-09-23","~{tert}-butyl 7'-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate","2023-08-23"],["6RV","(1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile","C16 H8 Cl F6 N5 O S","FC(F)(F)c1cc(Cl)n(CC2=CC(=O)N3C(=N2)SC(=C3[CH]4C[CH]4C#N)C(F)(F)F)n1;c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)C4CC4C#N)C(F)(F)F","InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m0/s1","","2016-06-09","2016-07-08","(1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile","2016-07-13"],["NOG","13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE","C21 H28 O2","O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4;CC[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C;CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34","InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1","NORGESTREL","2002-04-29","2021-03-01","(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",""],["6RW","2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine","C12 H18 N2 O2 S","Cc1ncccc1N[CH]2CCC[CH]2[S](C)(=O)=O;Cc1c(cccn1)NC2CCCC2S(=O)(=O)C","InChI=1S/C12H18N2O2S/c1-9-10(6-4-8-13-9)14-11-5-3-7-12(11)17(2,15)16/h4,6,8,11-12,14H,3,5,7H2,1-2H3/t11-,12+/m1/s1","","2016-06-09","2016-10-21","2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine","2016-10-26"],["NOH","2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate)","C9 H14 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(NO)C=C1)CC2O;ONC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O","InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1","","2012-04-13","2013-04-05","2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate)","2013-04-10"],["6RX","(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione","C18 H17 N3 O4","CCN1C(=O)NC(=O)C2=C1NC3=C([CH]2c4ccc(C)cc4)C(=O)OC3;CCN1C2=C(C(C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O","InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)/t12-/m1/s1","","2016-06-09","2017-07-28","(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione","2017-08-02"],["6RY","~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine","C16 H18 N2 O2","C[CH](Nc1cccnc1C)c2ccc3OCCOc3c2;Cc1c(cccn1)NC(C)c2ccc3c(c2)OCCO3","InChI=1S/C16H18N2O2/c1-11(18-14-4-3-7-17-12(14)2)13-5-6-15-16(10-13)20-9-8-19-15/h3-7,10-11,18H,8-9H2,1-2H3/t11-/m0/s1","","2016-06-09","2016-10-21","~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine","2016-10-26"],["NOI","2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide","C12 H12 Cl N3 O","O=C(Nc1cncn1C)Cc1cccc(Cl)c1;Cn1cncc1NC(=O)Cc2cccc(Cl)c2;Cn1cncc1NC(=O)Cc2cccc(c2)Cl","InChI=1S/C12H12ClN3O/c1-16-8-14-7-11(16)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7-8H,6H2,1H3,(H,15,17)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide","2023-11-08"],["NOJ","1-DEOXYNOJIRIMYCIN","C6 H13 N O4","OC1C(NCC(O)C1O)CO;OC[CH]1NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)CO)O)O)O","InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1","MORANOLINE","1999-07-08","2024-08-16","(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["6RZ","2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine","C10 H16 N2 O2 S","C[CH](C[S](C)(=O)=O)Nc1cccnc1C;Cc1c(cccn1)NC(C)CS(=O)(=O)C","InChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1","","2016-06-09","2016-10-21","2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine","2016-10-26"],["NOK","2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN","C8 H16 N2 O4","O=C(NC1C(O)C(O)C(NC1)CO)C;CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O;CC(=O)NC1CNC(C(C1O)O)CO","InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1","","2007-09-19","2011-06-04","N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide",""],["6S0","2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine","C15 H15 N3 S","C[CH](Nc1cccnc1C)c2cnc3ccsc3c2;Cc1c(cccn1)NC(C)c2cc3c(ccs3)nc2","InChI=1S/C15H15N3S/c1-10(18-13-4-3-6-16-11(13)2)12-8-15-14(17-9-12)5-7-19-15/h3-10,18H,1-2H3/t10-/m0/s1","","2016-06-09","2016-10-21","2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine","2016-10-26"],["NOL","N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE","C32 H50 N4 O7","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CO)CC3CCCCC3)C(OC(C)(C)C)C;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C","InChI=1S/C32H50N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,21-22,24-27,37H,5,7-8,11-12,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1","","2006-06-14","2024-09-27","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-[(1S)-2-hydroxy-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}ethyl]-L-alaninamide",""],["6S1","3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine","C27 H24 N6","Nc1ncccc1c2nc3ccc(nc3n2c4ccc(cc4)C5(N)CCC5)c6ccccc6;c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N","InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)","","2016-06-09","2016-06-24","3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine","2016-06-29"],["NOM","7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE","C16 H12 O6","O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C;C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O)cccc4C3=O;CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O","InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1","NANAOMYCIN D","2002-12-10","2020-06-17","(3aS,5S,11bR)-7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-2H-benzo[g]furo[3,2-c]isochromene-2,6,11-trione",""],["6S2","methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside","C9 H17 N O9 S","OC1C(OC(C(C1O)NC(C)=O)OC)COS(O)(=O)=O;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1OC)COS(=O)(=O)O)O)O","InChI=1S/C9H17NO9S/c1-4(11)10-6-8(13)7(12)5(19-9(6)17-2)3-18-20(14,15)16/h5-9,12-13H,3H2,1-2H3,(H,10,11)(H,14,15,16)/t5-,6-,7-,8-,9-/m1/s1","methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside; methyl\n2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucoside; methyl 2-acetamido-2-deoxy-6-O-sulfo-D-glucoside; methyl\n2-acetamido-2-deoxy-6-O-sulfo-glucoside","2015-03-04","2020-07-17","methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside","2016-04-06"],["NON","METHYL NONANOATE (ESTER)","C10 H20 O2","O=C(OC)CCCCCCCC;CCCCCCCCC(=O)OC;CCCCCCCCC(=O)OC","InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3","","1999-07-08","2011-06-04","methyl nonanoate",""],["6S3","4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide","C20 H22 Cl N5 O","CN1CCN(CC1)c2ccc(cc2)c3cc4c(Cl)cc(nc4n3C)C(N)=O;Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C","InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)","","2016-06-09","2017-07-14","4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide","2017-07-19"],["NOO","N-(3-oxocyclohex-1-en-1-yl)octanamide","C14 H23 N O2","O=C1C=C(NC(=O)CCCCCCC)CCC1;CCCCCCCC(=O)NC1=CC(=O)CCC1;CCCCCCCC(=O)NC1=CC(=O)CCC1","InChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17)","","2010-10-25","2011-07-01","N-(3-oxocyclohex-1-en-1-yl)octanamide",""],["6S4","(3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","C14 H20 N2 O","CC(C)(C)NC(=O)[CH]1Cc2ccccc2CN1;CC(C)(C)NC(=O)C1Cc2ccccc2CN1","InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1","","2016-06-10","2016-07-08","(3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","2016-07-13"],["NOP","PYRIDOXAL-5'-PHOSPHATE-N-OXIDE","C8 H10 N O7 P","[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O;Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-];Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O","InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)","","1999-07-08","2024-09-27","(4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate",""],["6S5","(S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide","C21 H25 N3 O3","O=C(NCc1occc1)C2CCN(CC2)C(=O)[CH]3Cc4ccccc4CN3;c1ccc2c(c1)CC(NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4","InChI=1S/C21H25N3O3/c25-20(23-14-18-6-3-11-27-18)15-7-9-24(10-8-15)21(26)19-12-16-4-1-2-5-17(16)13-22-19/h1-6,11,15,19,22H,7-10,12-14H2,(H,23,25)/t19-/m0/s1","","2016-06-10","2016-07-29","~{N}-(furan-2-ylmethyl)-1-[[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]piperidine-4-carboxamide","2016-08-03"],["NOQ","(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE","C17 H26 N2 O4 S","O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC2;COc1ccc(cc1)[S](=O)(=O)C[CH]2CCCC[CH]2C(=O)NCCN;COc1ccc(cc1)S(=O)(=O)CC2CCCCC2C(=O)NCCN","InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1","","2005-12-22","2024-09-27","(1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide",""],["6S6","(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid","C15 H28 N4 O6","O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O;C(CCCCN=[N+]=[N-])CCCNC1C(C(C(C(C1O)O)O)O)C(=O)O","InChI=1S/C15H28N4O6/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21/h9-14,17,20-23H,1-8H2,(H,24,25)/t9-,10+,11+,12-,13-,14-/m0/s1","","2016-06-13","2024-09-27","(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid","2017-05-31"],["NOR","CYCLOHEXYL-NORSTATINE","C13 H25 N O3","O=C(OC(C)C)C(O)C(N)CC1CCCCC1;CC(C)OC(=O)[CH](O)[CH](N)CC1CCCCC1;CC(C)OC(=O)C(C(CC1CCCCC1)N)O","InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1","","1999-07-08","2024-09-27","propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate",""],["6S7","2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine","C16 H26 N4 O","CN(C)CCOc1cncc(c1)N2C[CH]3CNC[CH](C3)C2;CN(C)CCOc1cc(cnc1)N2CC3CC(C2)CNC3","InChI=1S/C16H26N4O/c1-19(2)3-4-21-16-6-15(9-18-10-16)20-11-13-5-14(12-20)8-17-7-13/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3/t13-,14+","2-[5-[(1~{R},5~{S})-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyridin-3-yl]oxy-~{N},~{N}-dimethyl-ethanamine","2016-06-13","2021-03-13","2-[5-[(1~{R},5~{S})-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyridin-3-yl]oxy-~{N},~{N}-dimethyl-ethanamine","2016-07-06"],["NOS","INOSINE","C10 H12 N4 O5","OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O","InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2018-09-13","9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-6-one",""],["6S8","(~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide","C42 H79 N O8","CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O","InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39-,40-,41+,42+/m0/s1","N-(9Z-octadecenoyl)-1-beta-galactosyl-sphing-4-enine","2016-06-13","2021-03-01","(~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide","2017-12-13"],["6S9","1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea","C20 H18 N6 O","Cc1cc(ccn1)c2n[nH]c3cc(NC(=O)NCc4ccccc4)ncc23;Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4","InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27)","","2016-06-13","2016-07-01","1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea","2016-07-06"],["NOT","6-Azido-L-lysine","C6 H12 N4 O2","[N-]=[N+]=N/CCCCC(N)C(=O)O;N[CH](CCCCN=[N+]=[N-])C(O)=O;C(CCN=[N+]=[N-])CC(C(=O)O)N","InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1","(S)-2-Amino-6-azidohexanoic acid; (2S)-2-amino-6-azidohexanoic acid; 6-Azido-norleucine","2009-05-08","2026-01-13","6-azido-L-norleucine",""],["6SA","ACARBOSE DERIVED HEXASACCHARIDE","C37 H63 N O28","O(C4C(=CC(NC3C(OC(OC2C(O)C(O)C(OCC1OC(O)C(O)C(O)C1O)OC2CO)C(O)C3O)C)C(O)C4O)CO)C6OC(C(OC5OC(CO)C(O)C(O)C5O)C(O)C6O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OC[CH]3O[CH](O)[CH](O)[CH](O)[CH]3O)O[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](O[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)O)O)O)O)CO)O)O)NC4C=C(C(C(C4O)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)CO","InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-/m1/s1","4,6-DIDEOXY-4-{[(4R,5R)-4-[(4-O-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)-ALPHA-D-XYLO-HEXOPYRANOSYL-(1->6)-BETA-D-ARABINO-HEXOPYRANOSE","2004-09-15","2021-03-13","4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-beta-D-glucopyranose",""],["NOU","(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid","C9 H13 N3 O2","O=C(O)C(N)CCNc1ccccn1;N[CH](CCNc1ccccn1)C(O)=O;c1ccnc(c1)NCCC(C(=O)O)N","InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1","","2022-04-07","2024-09-27","(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid","2023-08-30"],["NOV","NOVOBIOCIN","C31 H36 N2 O11","O=C(c1ccc(O)c(c1)CC=C(/C)C)NC3=C(O)c4ccc(OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)C;CO[CH]1[CH](OC(N)=O)[CH](O)[CH](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C;Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O","InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1","4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl\n3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside","1999-07-08","2020-06-17","N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide",""],["6SB","Taurodeoxycholate","C26 H45 N O6 S","C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1","2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6\n,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid","2016-06-14","2020-06-17","2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid","2016-07-20"],["NOW","Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide","C21 H29 N5 O2","O=C(c1cc(nn1C)C(C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C;Cn1nc(cc1C(=O)N[CH](Cc2cccc(C)c2)C(=O)NCC=N)C(C)(C)C;[H]N=CCNC(=O)C(Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C","InChI=1S/C21H29N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-9,11,13,16,22H,10,12H2,1-5H3,(H,23,27)(H,24,28)/b22-9+/t16-/m0/s1","","2009-05-22","2024-09-27","Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide",""],["6SC","3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","C18 H14 Br N5","Brc1cnn2c(cc(nc12)c3ccccc3)NCc4ccncc4;Brc1cnn2c(NCc3ccncc3)cc(nc12)c4ccccc4;c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4","InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12,21H,11H2","","2007-09-20","2011-06-04","3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",""],["NOX","N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE","C18 H26 N2 O4","[O-][N+]2(CCc1ccc(NC(=O)CCCC(=O)O)cc1)CCCCC2;OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1;c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O","InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)","","1999-07-08","2011-06-04","5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid",""],["6SD","3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine","C10 H11 N3 O","COc1ccc(cc1)c2cc(N)[nH]n2;COc1ccc(cc1)c2cc([nH]n2)N","InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)","","2016-06-14","2017-08-04","3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine","2017-08-09"],["NOY","(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL","C6 H13 N O4","OC1C(CNC(O)C1O)CO;OC[CH]1CN[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)O)O)O)CO","InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6-/m1/s1","","2006-10-06","2011-06-04","(2R,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol",""],["6SE","triselane","H2 Se3","[SeH][Se][SeH];[SeH][Se][SeH];[SeH][Se][SeH]","InChI=1S/H2Se3/c1-3-2/h1-2H","","2011-08-05","2024-09-27","triselane",""],["NOZ","(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol","C6 H13 N O4","OC1C(CNC(O)C1O)CO;OC[CH]1CN[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)O)O)O)CO","InChI=1/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1","","2008-01-08","2008-10-14","(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol",""],["6SF","2-[3,4-bis(chloranyl)phenoxy]ethanamine","C8 H9 Cl2 N O","NCCOc1ccc(Cl)c(Cl)c1;c1cc(c(cc1OCCN)Cl)Cl","InChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2","","2016-06-14","2017-08-04","2-[3,4-bis(chloranyl)phenoxy]ethanamine","2017-08-09"],["NP","4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID","C14 H18 N2 O6","O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)O;OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O;c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O","InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)","","1999-07-08","2011-06-04","6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoic acid",""],["6SG","S-[N-(ferrocenylmethyl)carbamoylmethyl]-glutathione","C23 H22 Fe N4 O7 S","[Fe].N[CH](CC[CH](O)NC(=CSCC(=O)NCC1C=CC=C1)C(=O)NCC(O)=O)C(O)=O.C2C=CC=C2;C(CC(NC(=CSCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)C(=O)NCC(=O)O)O)C(C(=O)O)N","InChI=1S/C18H21N4O7S.C5H.Fe/c19-12(18(28)29)5-6-14(23)22-13(17(27)21-8-16(25)26)9-30-10-15(24)20-7-11-3-1-2-4-11;1-2-4-5-3-1;/h9,12,14,22-23H,5-8,10,19H2,(H,20,24)(H,21,27)(H,25,26)(H,28,29);1H;/b13-9-;;/t12-,14-;;/m0../s1","","2016-06-15","2017-06-23","(2~{S},5~{S})-2-azanyl-5-[[(~{Z})-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-1-[2-oxidanylidene-2-(spiro[1$l^{10}-ferrapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexa-2,4-diene-1,1'-1$l^{10}-ferrapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexa-3,5-diene]-2'-ylmethylamino)ethyl]sulfanyl-prop-1-en-2-yl]amino]-5-oxidanyl-pentanoic acid","2017-06-28"],["NP0","N-hydroxypropan-1-amine","C3 H9 N O","CCCNO;CCCNO;CCCNO","InChI=1S/C3H9NO/c1-2-3-4-5/h4-5H,2-3H2,1H3","1-nitrosopropane, bound form","2017-08-24","2020-06-17","N-hydroxypropan-1-amine","2019-07-17"],["6SH","5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C28 H34 N6 O3","NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC4CCCCC4)C(=O)N)N","InChI=1S/C28H34N6O3/c29-25-23(18-32-34(25)22-9-5-2-6-10-22)28(37)31-17-20-11-14-21(15-12-20)27(36)33-24(26(30)35)16-13-19-7-3-1-4-8-19/h2,5-6,9-12,14-15,18-19,24H,1,3-4,7-8,13,16-17,29H2,(H2,30,35)(H,31,37)(H,33,36)/t24-/m0/s1","","2016-06-15","2016-07-01","5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2016-07-06"],["NP1","N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE","C10 H15 N3 O2","[O-][N+](=O)c1cc(ccc1NCCCN)C;Cc1ccc(NCCCN)c(c1)[N+]([O-])=O;Cc1ccc(c(c1)[N+](=O)[O-])NCCCN","InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3","","2005-01-17","2011-06-04","N-(4-methyl-2-nitrophenyl)propane-1,3-diamine",""],["6SI","(3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide","C14 H23 N8 O2 S","N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1;C1CN(Cc2c1nc(s2)NC(=O)C3CCN(C3)C=N)C(=O)CN[NH2+]N","InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1","","2021-08-02","2024-09-27","azanyl-[[2-[2-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]carbonylamino]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxidanylidene-ethyl]amino]azanium","2022-08-10"],["NP2","N-(3-AMINOPROPYL)-2-NITROBENZENAMINE","C9 H13 N3 O2","[O-][N+](=O)c1ccccc1NCCCN;NCCCNc1ccccc1[N+]([O-])=O;c1ccc(c(c1)NCCCN)[N+](=O)[O-]","InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2","","2005-01-17","2011-06-04","N-(2-nitrophenyl)propane-1,3-diamine",""],["6SJ","2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid","C25 H25 Cl2 N3 O3","OC(=O)CN1CC[CH]2[CH]1[CH](c3cccc(Cl)c3)[C]4(N2CC5CC5)C(=O)Nc6cc(Cl)ccc46;c1cc(cc(c1)Cl)C2C3C(CCN3CC(=O)O)N(C24c5ccc(cc5NC4=O)Cl)CC6CC6","InChI=1S/C25H25Cl2N3O3/c26-16-3-1-2-15(10-16)22-23-20(8-9-29(23)13-21(31)32)30(12-14-4-5-14)25(22)18-7-6-17(27)11-19(18)28-24(25)33/h1-3,6-7,10-11,14,20,22-23H,4-5,8-9,12-13H2,(H,28,33)(H,31,32)/t20-,22-,23+,25+/m0/s1","","2016-06-15","2016-10-28","2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid","2016-11-02"],["NP3","1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE","C9 H13 N2 O8 P","[O-][N+](=O)c1ccn(c1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2)[N+]([O-])=O;c1cn(cc1[N+](=O)[O-])C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C9H13N2O8P/c12-7-3-9(10-2-1-6(4-10)11(13)14)19-8(7)5-18-20(15,16)17/h1-2,4,7-9,12H,3,5H2,(H2,15,16,17)/t7-,8+,9+/m0/s1","","1999-12-20","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-nitro-1H-pyrrole",""],["6SK","(3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one","C22 H25 Cl2 N3 O","CC(C)(C)CN1C[CH](N)[CH](c2cccc(Cl)c2)[C]13C(=O)Nc4cc(Cl)ccc34;CC(C)(C)CN1CC(C(C12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N","InChI=1S/C22H25Cl2N3O/c1-21(2,3)12-27-11-17(25)19(13-5-4-6-14(23)9-13)22(27)16-8-7-15(24)10-18(16)26-20(22)28/h4-10,17,19H,11-12,25H2,1-3H3,(H,26,28)/t17-,19+,22-/m1/s1","","2016-06-15","2019-12-07","(3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one","2016-10-19"],["NP4","(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE","C16 H17 Cl O5","O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl;c1c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O","InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-","","2006-07-04","2011-06-04","(5Z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione",""],["6SL","2-pyridin-3-yl-1~{H}-benzimidazole","C12 H9 N3","[nH]1c2ccccc2nc1c3cccnc3;c1ccc2c(c1)[nH]c(n2)c3cccnc3","InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)","","2016-06-15","2017-08-04","2-pyridin-3-yl-1~{H}-benzimidazole","2017-08-09"],["6SM","5-chloranylpyrimidine-4-carboxylic acid","C5 H3 Cl N2 O2","OC(=O)c1ncncc1Cl;c1c(c(ncn1)C(=O)O)Cl","InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)","","2016-06-15","2024-09-27","5-chloranylpyrimidine-4-carboxylic acid","2016-08-10"],["NP5","(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE","C16 H17 Cl O5","O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl;c1c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O","InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+","","2006-07-04","2011-06-04","(5E)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione",""],["6SN","5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine","C9 H7 Cl2 N3","Nc1cc([nH]n1)c2ccc(Cl)c(Cl)c2;c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl","InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)","","2016-06-15","2017-08-04","5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine","2017-08-09"],["NP6","[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE","C17 H23 N3 O7","O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCC)Nc2ccccc2;CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CCCC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1","","2009-03-10","2011-06-04","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]butanamide (non-preferred name)",""],["NP7","2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide","C18 H19 Cl N4 O3","Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+]([O-])=O)c3;CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O;CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]","InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-6-13(23(25)26)12-16(17)20-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,24)","","2011-07-08","2011-08-26","2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide",""],["6SO","2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine","C10 H11 Cl N2","NCCc1c[nH]c2ccc(Cl)cc12;c1cc2c(cc1Cl)c(c[nH]2)CCN","InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2","","2016-06-15","2017-08-04","2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine","2017-08-09"],["6SP","(3S)-pyrrolidin-3-ol","C4 H9 N O","OC1CCNC1;O[CH]1CCNC1;C1CNCC1O","InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1","","2011-10-27","2012-01-20","(3S)-pyrrolidin-3-ol",""],["NP8","5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one","C20 H23 N5 O2","COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=Cc24)C;CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC","InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)","","2015-06-20","2015-07-17","5-(5-methoxypyridin-3-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one","2015-07-22"],["NPA","2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID","C8 H7 N O5","O=[N+]([O-])c1cc(ccc1O)CC(=O)O;OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O;c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O","InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)","","1999-07-08","2011-06-04","(4-hydroxy-3-nitrophenyl)acetic acid",""],["6SQ","1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone","C20 H20 Cl N O2","CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(Cl)c3;CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl","InChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3","","2016-06-15","2017-06-09","1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone","2017-06-14"],["6SR","5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one","C21 H20 N2 O4","O=C1CCc2cc(ccc12)N3CCN(CC3)C(=O)c4ccc5OCOc5c4;c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2","InChI=1S/C21H20N2O4/c24-18-5-1-14-11-16(3-4-17(14)18)22-7-9-23(10-8-22)21(25)15-2-6-19-20(12-15)27-13-26-19/h2-4,6,11-12H,1,5,7-10,13H2","","2016-06-15","2017-06-09","5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one","2017-06-14"],["NPB","3-NITROPHENYLBORONIC ACID","C6 H6 B N O4","[O-][N+](=O)c1cc(B(O)O)ccc1;OB(O)c1cccc(c1)[N+]([O-])=O;B(c1cccc(c1)[N+](=O)[O-])(O)O","InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H","","2001-11-19","2024-09-27","(3-nitrophenyl)boronic acid",""],["NPC","4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION","C14 H17 N2 O6","O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC([O-])=O;Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O;c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O","InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)/p-1","","1999-07-08","2011-06-04","6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoate",""],["6SS","(3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one","C27 H26 Cl2 F N3 O2","CCOc1cccc(CN2[CH](C)[CH](N)[CH](c3cccc(Cl)c3F)[C]24C(=O)Nc5cc(Cl)ccc45)c1;CCOc1cccc(c1)CN2C(C(C(C23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C","InChI=1S/C27H26Cl2FN3O2/c1-3-35-18-7-4-6-16(12-18)14-33-15(2)25(31)23(19-8-5-9-21(29)24(19)30)27(33)20-11-10-17(28)13-22(20)32-26(27)34/h4-13,15,23,25H,3,14,31H2,1-2H3,(H,32,34)/t15-,23-,25+,27+/m0/s1","","2016-06-15","2016-10-28","(3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one","2016-11-02"],["NPD","2-METHYL-3-NAPHTHALEN-1-YL-PROPIONALDEHYDE","C14 H14 O","O=CC(C)Cc2cccc1ccccc12;C[CH](Cc1cccc2ccccc12)C=O;CC(Cc1cccc2c1cccc2)C=O","InChI=1S/C14H14O/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,10-11H,9H2,1H3/t11-/m0/s1","","2000-09-12","2011-06-04","(2S)-2-methyl-3-naphthalen-1-ylpropanal",""],["6ST","4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid","C30 H26 Cl2 F N3 O3","OC(=O)c1ccc(cc1)[CH]2C[CH]3[CH](N2)[CH](c4cccc(Cl)c4F)[C]5(N3CC6CC6)C(=O)Nc7cc(Cl)ccc57;c1cc(c(c(c1)Cl)F)C2C3C(CC(N3)c4ccc(cc4)C(=O)O)N(C25c6ccc(cc6NC5=O)Cl)CC7CC7","InChI=1S/C30H26Cl2FN3O3/c31-18-10-11-20-23(12-18)35-29(39)30(20)25(19-2-1-3-21(32)26(19)33)27-24(36(30)14-15-4-5-15)13-22(34-27)16-6-8-17(9-7-16)28(37)38/h1-3,6-12,15,22,24-25,27,34H,4-5,13-14H2,(H,35,39)(H,37,38)/t22-,24+,25+,27-,30-/m1/s1","","2016-06-15","2016-10-28","4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid","2016-11-02"],["NPE","5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID","C11 H13 N O7 P","O=P([O-])(Oc1ccc(cc1)[N+]([O-])=O)CCCCC(=O)O;OC(=O)CCCC[P]([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OP(=O)(CCCCC(=O)O)[O-]","InChI=1S/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)/p-1","","1999-07-08","2011-06-04","4-nitrophenyl (4-carboxybutyl)phosphonate",""],["6SU","methyl 3-(methylsulfonylamino)benzoate","C9 H11 N O4 S","COC(=O)c1cccc(N[S](C)(=O)=O)c1;COC(=O)c1cccc(c1)NS(=O)(=O)C","InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3","","2016-06-15","2016-09-16","methyl 3-(methylsulfonylamino)benzoate","2016-09-21"],["NPF","2-nitrophenyl beta-D-fucopyranoside","C12 H15 N O7","[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2;C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O","InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1","ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE; 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside; 2-nitrophenyl beta-D-fucoside;\n2-nitrophenyl D-fucoside; 2-nitrophenyl fucoside","2000-02-08","2020-07-17","2-nitrophenyl 6-deoxy-beta-D-galactopyranoside",""],["6SV","1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea","C12 H22 N2 O2","O=C(NC[CH]1CCCO1)NC2CCCCC2;C1CCC(CC1)NC(=O)NCC2CCCO2","InChI=1S/C12H22N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14,15)/t11-/m1/s1","","2016-06-16","2016-07-01","1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea","2016-07-06"],["NPG","N-SUCCINYL PHENYLGLYCINE","C12 H13 N O5","O=C(O)CCC(=O)NC(C(=O)O)c1ccccc1;OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m1/s1","","2004-03-04","2011-06-04","4-{[(R)-carboxy(phenyl)methyl]amino}-4-oxobutanoic acid",""],["6SW","Inosine-3',5'-cyclic monophosphate","C10 H11 N4 O7 P","O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34;c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=CNC2=O","InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1","cIMP","2016-06-16","2021-03-01","9-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1~{H}-purin-6-one","2016-09-14"],["NPH","CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE","C17 H16 N4 O3 S","O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23;N[CH](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O;c1cc2cc(c3cccnc3c2nc1)NC(=O)CSCC(C(=O)O)N","InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1","","1999-07-08","2024-09-27","S-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]-L-cysteine",""],["6SX","Purine riboside-3',5'-cyclic monophosphate","C10 H11 N4 O6 P","O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34;c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O","InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1","cPuMP","2016-06-16","2021-03-01","(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2-oxidanyl-2-oxidanylidene-6-purin-9-yl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol","2016-09-14"],["NPI","(2S)-2-aminoheptanedioic acid","C7 H13 N O4","O=C(O)C(N)CCCCC(=O)O;N[CH](CCCCC(O)=O)C(O)=O;C(CCC(=O)O)CC(C(=O)O)N","InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1","L-2-AMINOPIMELIC ACID","1999-07-08","2020-06-17","(2S)-2-aminoheptanedioic acid",""],["6SY","Uridine-3',5'-cyclic monophosphate","C9 H11 N2 O8 P","O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O;C1C2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O","InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1","cUMP","2016-06-16","2020-06-17","1-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione","2016-09-14"],["NPJ","4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE","C18 H25 N O13","[O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)cc3;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)Oc3ccc(cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1","P-NITROPHENYL MALTOSIDE","2006-04-07","2020-06-17","4-nitrophenyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside",""],["6SZ","2-Aminopurine riboside-3',5'-cyclic monophosphate","C10 H12 N5 O6 P","Nc1ncc2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c2n1;c1c2c(nc(n1)N)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O","InChI=1S/C10H12N5O6P/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14)/t5-,6-,7-,9-/m1/s1","2-NH2-cPuMP","2016-06-16","2021-03-01","(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-6-(2-azanylpurin-9-yl)-2-oxidanyl-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol","2016-09-14"],["NPK","5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid","C20 H23 N3 O9 S","[O-][N+](=O)c1cc4OCOc4cc1C(OC(=O)N2C(=O)NC3C(SCC23)CCCCC(=O)O)C;C[CH](OC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O)c3cc4OCOc4cc3[N+]([O-])=O;CC(c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3C4CSC(C4NC3=O)CCCCC(=O)O","InChI=1S/C20H23N3O9S/c1-10(11-6-14-15(31-9-30-14)7-12(11)23(28)29)32-20(27)22-13-8-33-16(18(13)21-19(22)26)4-2-3-5-17(24)25/h6-7,10,13,16,18H,2-5,8-9H2,1H3,(H,21,26)(H,24,25)/t10-,13+,16-,18+/m1/s1","","2011-12-15","2011-12-23","5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["6T0","1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine","C14 H16 N4","CC(C)Cn1cnc2c(N)nc3ccccc3c12;CC(C)Cn1cnc2c1c3ccccc3nc2N","InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)","","2016-06-17","2016-07-22","1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine","2016-07-27"],["6T1","2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide","C30 H34 Cl2 N4 O2","Clc1ccc(CCN2CC(C2)Oc3ccccc3c4cc(ccn4)C(=O)NCCCN5CCCC5)cc1Cl;c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl","InChI=1S/C30H34Cl2N4O2/c31-26-9-8-22(18-27(26)32)11-17-36-20-24(21-36)38-29-7-2-1-6-25(29)28-19-23(10-13-33-28)30(37)34-12-5-16-35-14-3-4-15-35/h1-2,6-10,13,18-19,24H,3-5,11-12,14-17,20-21H2,(H,34,37)","AZ13450370","2016-06-21","2020-06-17","2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide","2016-12-07"],["NPL","N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE","C9 H16 N2 O5 P","O=P(O)(O)OCc1c[n+](c(c(O)c1CN)C)C;Cc1c(O)c(CN)c(CO[P](O)(O)=O)c[n+]1C;Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O","InChI=1S/C9H15N2O5P/c1-6-9(12)8(3-10)7(4-11(6)2)5-16-17(13,14)15/h4H,3,5,10H2,1-2H3,(H2-,12,13,14,15)/p+1","","1999-07-08","2011-06-04","4-(aminomethyl)-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium",""],["NPM","N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE","C25 H20 N4","N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=Cc4ncccc4;C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4;c1ccnc(c1)C=Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4","InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+","1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE","2005-11-30","2021-03-13","4,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}",""],["6T2","1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine","C26 H29 N5 O2","CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4;CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N","InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3","Crenolanib","2016-06-17","2020-06-17","1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine","2017-11-29"],["NPN","N-PROPYL ISOCYANIDE","C4 H7 N","propyl isocyanide;CCC[N+]#[C-];CCC[N+]#[C-]","InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3","","1999-07-08","2011-06-04","1-isocyanopropane",""],["6T3","11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene","C28 H32 N4 O3","C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5;c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COCC=CCOC2)OCCN5CCCC5","InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+","","2016-06-17","2017-11-24","","2017-11-29"],["NPO","P-NITROPHENOL","C6 H5 N O3","O=[N+]([O-])c1ccc(O)cc1;Oc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])O","InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H","","1999-07-08","2016-08-23","4-nitrophenol",""],["6T4","~{N}-(4-methyl-1,3-thiazol-2-yl)ethanamide","C6 H8 N2 O S","CC(=O)Nc1scc(C)n1;Cc1csc(n1)NC(=O)C","InChI=1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)","","2016-06-17","2016-07-22","~{N}-(4-methyl-1,3-thiazol-2-yl)ethanamide","2016-07-27"],["6T5","6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one","C13 H16 N4 O","CC(C)c1ccc(NC2=NC(=O)NN=C2C)cc1;CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C","InChI=1S/C13H16N4O/c1-8(2)10-4-6-11(7-5-10)14-12-9(3)16-17-13(18)15-12/h4-8H,1-3H3,(H2,14,15,17,18)","","2016-06-17","2016-07-22","6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one","2016-07-27"],["NPP","N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE","C17 H27 N6 O5","[O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1[N+]([O-])=O)CC2(C)C)(C)C;CC1(C)CC(CC(C)(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O)[N+]([O-])=O;CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C","InChI=1S/C17H27N6O5/c1-16(2)9-11(10-17(3,4)23(16)28)20-13-7-12(19-6-5-18)14(21(24)25)8-15(13)22(26)27/h7-8,11,19-20H,5-6,9-10,18H2,1-4H3/q-1","","1999-07-08","2011-06-04","4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-2,2,6,6-tetramethylpiperidin-1-olate",""],["NPQ","N-acetyl naphthylalanine","C15 H15 N O3","CC(=O)N[CH](Cc1ccc2ccccc2c1)C(O)=O;CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O","InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1","","2015-10-12","2016-11-11","(2S)-2-acetamido-3-naphthalen-2-yl-propanoic acid","2016-11-16"],["6T6","(2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine","C21 H20 N4","n4cccc(c1cc(ccc1)C2(NC(=C(N)N2)c3ccccc3)C)c4;C[C]1(NC(=C(N1)c2ccccc2)N)c3cccc(c3)c4cccnc4;CC1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4","InChI=1S/C21H20N4/c1-21(24-19(20(22)25-21)15-7-3-2-4-8-15)18-11-5-9-16(13-18)17-10-6-12-23-14-17/h2-14,24-25H,22H2,1H3/t21-/m1/s1","","2012-07-10","2014-09-05","(2R)-2-methyl-5-phenyl-2-[3-(pyridin-3-yl)phenyl]-2,3-dihydro-1H-imidazol-4-amine","2012-10-05"],["NPR","2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE","C9 H13 N5 O4","O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)CO)N;NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)N1;C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O","InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1","7,8-DIHYDRONEOPTERIN","2003-12-19","2020-06-17","2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(1H)-one",""],["6T7","3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid","C12 H11 N3 O3","OC(=O)CCN1N=C(C=CC1=O)c2cccnc2;c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O","InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)","","2016-06-17","2016-07-22","3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid","2016-07-27"],["NPS","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid","C14 H14 O3","O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C;COc1ccc2cc(ccc2c1)[CH](C)C(O)=O;CC(c1ccc2cc(ccc2c1)OC)C(=O)O","InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1","NAPROXEN","2007-10-04","2020-06-17","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid",""],["6T8","N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide","C25 H35 B N6 O5","NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)B3OCC(O)CO3)cc1;B1(OCC(CO1)O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(cc2)CN)NC(=O)c3ccccc3","InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-15-20(33)16-37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t21-,22-/m0/s1","","2016-06-20","2024-09-27","~{N}-[(2~{S})-3-[4-(aminomethyl)phenyl]-1-[[(1~{R})-4-carbamimidamido-1-(5-oxidanyl-1,3,2-dioxaborinan-2-yl)butyl]amino]-1-oxidanylidene-propan-2-yl]benzamide","2016-07-06"],["NPT","NEOPENTYLAMINE","C5 H13 N","NCC(C)(C)C;CC(C)(C)CN;CC(C)(C)CN","InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3","","1999-07-08","2011-06-04","2,2-dimethylpropan-1-amine",""],["6T9","5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide","C19 H19 F3 N4 O3","FC1(F)C(N=C(OC1)N)(c3cc(NC(=O)c2ncc(OCC)cc2)ccc3F)C;CCOc1ccc(nc1)C(=O)Nc2ccc(F)c(c2)[C]3(C)N=C(N)OCC3(F)F;CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)C3(C(COC(=N3)N)(F)F)C)F","InChI=1S/C19H19F3N4O3/c1-3-28-12-5-7-15(24-9-12)16(27)25-11-4-6-14(20)13(8-11)18(2)19(21,22)10-29-17(23)26-18/h4-9H,3,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-/m1/s1","","2013-02-04","2014-09-05","N-{3-[(4R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-ethoxypyridine-2-carboxamide","2013-05-01"],["NPU","(1R,2R)-2-amino-1-phenylpropan-1-ol","C9 H13 N O","OC(c1ccccc1)C(N)C;C[CH](N)[CH](O)c1ccccc1;CC(C(c1ccccc1)O)N","InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1","","2011-10-24","2011-11-11","(1R,2R)-2-amino-1-phenylpropan-1-ol",""],["6TA","~{tert}-butyl (2~{S})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate","C21 H30 N4 O3","CC(C)(C)OC(=O)N1CCC2(CC1)C[CH]2CNC(=O)N3Cc4ccncc4C3;CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)N3Cc4ccncc4C3","InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)/t17-/m1/s1","","2016-06-20","2016-08-24","~{tert}-butyl (2~{S})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate","2016-08-31"],["NPV","4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid","C21 H13 N3 O4","[O-][N+](=O)c1cccc(c1)c3nc(cc2c3nccc2)c4ccc(C(=O)O)cc4;OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c4)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O","InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)","","2007-09-06","2011-06-04","4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid",""],["6TB","4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide","C29 H41 N7 O3","CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)N(C)c4ccc(cc4OC)C(=O)NC5CCN(C)CC5;CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C","InChI=1S/C29H41N7O3/c1-6-22-28(38)34(3)24-18-30-29(32-26(24)36(22)21-9-7-8-10-21)35(4)23-12-11-19(17-25(23)39-5)27(37)31-20-13-15-33(2)16-14-20/h11-12,17-18,20-22H,6-10,13-16H2,1-5H3,(H,31,37)/t22-/m1/s1","(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)(methyl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","2016-06-20","2021-03-13","4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide","2017-08-09"],["NPW","BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE","C21 H32 N7 O18 P3","NC(=O)C1=CN([CH](O)CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C(CCC5O)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1","","2011-05-16","2011-06-17","[[(2R,3S,4R,5R)-5-[(2S)-5-aminocarbonyl-2-oxidanyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",""],["6TC","~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide","C32 H32 N4 O3 S","CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2c4ccc5sccc5c4)cc1;CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5","InChI=1S/C32H32N4O3S/c1-22(2)39-27-11-8-24(9-12-27)20-35(16-14-30(33)37)32(38)28-19-34-36(21-23-6-4-3-5-7-23)31(28)26-10-13-29-25(18-26)15-17-40-29/h3-13,15,17-19,22H,14,16,20-21H2,1-2H3,(H2,33,37)","","2016-06-20","2016-07-15","~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide","2016-07-20"],["NPX","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid","C14 H14 O3","O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C;COc1ccc2cc(ccc2c1)[CH](C)C(O)=O;CC(c1ccc2cc(ccc2c1)OC)C(=O)O","InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1","(R)-Naproxen","2007-10-04","2021-03-01","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid",""],["6TD","2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole","C19 H15 N5 O S","n1nc3sc(nn3c1Cc2ccc(OC)cc2)c5cc4ccccc4n5;COc1ccc(Cc2nnc3sc(nn23)c4[nH]c5ccccc5c4)cc1;COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4","InChI=1S/C19H15N5OS/c1-25-14-8-6-12(7-9-14)10-17-21-22-19-24(17)23-18(26-19)16-11-13-4-2-3-5-15(13)20-16/h2-9,11,20H,10H2,1H3","6-(1H-indol-2-yl)-3-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","2014-01-10","2021-03-13","2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole","2018-07-04"],["NPY","NAPHTHALENE","C10 H8","c12ccccc1cccc2;c1ccc2ccccc2c1;c1ccc2ccccc2c1","InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H","","1999-07-08","2011-06-04","naphthalene",""],["6TE","~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide","C12 H17 N5 O2 S","CN([CH]1C[CH](C1)N[S](C)(=O)=O)c2ncnc3[nH]ccc23;CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C","InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+","","2016-06-20","2016-11-04","~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide","2016-11-09"],["NPZ","1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C16 H13 N5","n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N;Cn1nc(c2ccc3ccccc3c2)c4c(N)ncnc14;Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N","InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)","","2008-09-30","2011-06-04","1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["6TF","N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide","C25 H24 F4 N4 O5","c3cc4C1(C(N(C(=O)O1)CC(N(Cc2ccc(cc2)F)C(C)C(F)(F)F)=O)=O)CCc4cc3NC(NC)=O;CNC(=O)Nc1ccc2c(CC[C]23OC(=O)N(CC(=O)N(Cc4ccc(F)cc4)[CH](C)C(F)(F)F)C3=O)c1;CC(C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)C3(CCc4c3ccc(c4)NC(=O)NC)OC2=O","InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1","N-(4-fluorobenzyl)-2-((R)-5-(3-methylureido)-2',4'-dioxo-2,3-dihydrospiro[indene-1,5'-ozazolidine]-3'-yl)-N-((S)-1,1,1-trifluoropropan-2-yl)acetamide","2016-06-20","2021-03-13","N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide","2017-09-27"],["NQ","2-HYDROXYNAPHTHOQUINONE","C10 H6 O3","O=C2c1c(cccc1)C(=O)C(O)=C2;OC1=CC(=O)c2ccccc2C1=O;c1ccc2c(c1)C(=O)C=C(C2=O)O","InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H","2-HYDROXY-1,4-NAPHTHOQUINONE","2005-08-03","2020-06-17","2-hydroxynaphthalene-1,4-dione",""],["6TG","(2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine","C23 H23 N5 O","N1=C(C(=NC1(c2cc(c(OC)c(c2)C)C)c4cccc(c3cncnc3)c4)N)C;COc1c(C)cc(cc1C)[C]2(N=C(C)C(=N2)N)c3cccc(c3)c4cncnc4;Cc1cc(cc(c1OC)C)C2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4","InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1","","2012-07-10","2014-09-05","(2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-[3-(pyrimidin-5-yl)phenyl]-2H-imidazol-4-amine","2012-10-05"],["NQ0","2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide","C18 H23 Cl2 N3 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["6TH","(2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide","C22 H32 Cl N3 O3","N[CH](CC1CCCCC1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CO;c1cc(c(cc1Cl)CNC(=O)C2CCCN2C(=O)C(CC3CCCCC3)N)CO","InChI=1S/C22H32ClN3O3/c23-18-9-8-16(14-27)17(12-18)13-25-21(28)20-7-4-10-26(20)22(29)19(24)11-15-5-2-1-3-6-15/h8-9,12,15,19-20,27H,1-7,10-11,13-14,24H2,(H,25,28)/t19-,20+/m1/s1","","2016-06-21","2017-07-21","(2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide","2017-07-26"],["NQ1","10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","C20 H15 F N2 O","c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O;Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1;c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F","InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2","","2019-05-23","2019-12-13","10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","2019-12-18"],["6TI","(2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide","C25 H28 N4 O3","COc1ccc(cc1)C2(CCCC2)C(=O)N3CCC[CH]3C(=O)Nc4cccc5[nH]ncc45;COc1ccc(cc1)C2(CCCC2)C(=O)N3CCCC3C(=O)Nc4cccc5c4cn[nH]5","InChI=1S/C25H28N4O3/c1-32-18-11-9-17(10-12-18)25(13-2-3-14-25)24(31)29-15-5-8-22(29)23(30)27-20-6-4-7-21-19(20)16-26-28-21/h4,6-7,9-12,16,22H,2-3,5,8,13-15H2,1H3,(H,26,28)(H,27,30)/t22-/m1/s1","","2021-09-27","2022-04-22","(2~{R})-~{N}-(1~{H}-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide","2022-04-27"],["NQ2","~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide","C25 H35 N3 O6 S","COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCCN4CCC(CC4)C(C)(C)O)c2;CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O","InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3","","2019-12-10","2019-12-27","~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide","2020-01-01"],["6TJ","3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid","C15 H11 N O3","OC(=O)c1cccc2CN(C(=O)c12)c3ccccc3;c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O","InChI=1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19)","","2016-06-21","2017-02-10","3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid","2017-02-15"],["NQ3","(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one","C15 H12 Cl N3 O","Clc1cccc(c1)N1C=CN(c2cnccc2C)C1=O;Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O;Cc1ccncc1N2C=CN(C2=O)c3cccc(c3)Cl","InChI=1S/C15H12ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-10H,1H3","","2023-08-16","2023-11-03","(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one","2023-11-08"],["6TL","5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide","C33 H40 N6 O","O=C(NCCCN1CCCC1)c2cncc(c2)c3ccccc3N4CCN(CC4)CCc5c[nH]c6ccccc56;c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6","InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40)","AZ506","2016-06-21","2021-03-01","5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide","2016-12-07"],["6TM","6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide","C32 H37 Cl2 N7 O","Clc1ccc(CCN2CCN(CC2)c3ccccc3c4cc(C(=O)NCCCN5CCCC5)c6c[nH]nc6n4)cc1Cl;c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl","InChI=1S/C32H37Cl2N7O/c33-27-9-8-23(20-28(27)34)10-15-40-16-18-41(19-17-40)30-7-2-1-6-24(30)29-21-25(26-22-36-38-31(26)37-29)32(42)35-11-5-14-39-12-3-4-13-39/h1-2,6-9,20-22H,3-5,10-19H2,(H,35,42)(H,36,37,38)","AZ931","2016-06-21","2021-03-01","6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide","2016-12-07"],["NQ4","[[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C9 H16 N3 O12 P3","NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m1/s1","","2019-05-23","2019-07-19","[[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2019-07-24"],["NQ5","2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide","C25 H33 N3 O8 S","COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[CH]4CN(CCO4)C5COC5)c2;COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3","InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1","","2019-12-11","2019-12-27","2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide","2020-01-01"],["6TN","[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone","C19 H23 N3 O4","CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O;CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C","InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3","","2016-06-22","2017-03-03","[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone","2017-03-08"],["NQ6","N-(pyridin-2-yl)-L-asparagine","C9 H11 N3 O3","O=C(Nc1ccccn1)CC(N)C(=O)O;N[CH](CC(=O)Nc1ccccn1)C(O)=O;c1ccnc(c1)NC(=O)CC(C(=O)O)N","InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1","","2022-04-07","2024-09-27","N-(pyridin-2-yl)-L-asparagine","2023-08-30"],["6TO","(3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid","C16 H16 O7","O[CH]1CC(=C[CH](OC(=O)C=Cc2ccc(O)cc2)[CH]1O)C(O)=O;c1cc(ccc1C=CC(=O)OC2C=C(CC(C2O)O)C(=O)O)O","InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-6,8,12-13,15,17-18,20H,7H2,(H,21,22)/b6-3+/t12-,13-,15+/m1/s1","","2016-06-21","2016-10-28","(3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid","2016-11-02"],["NQ7","(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one","C13 H13 N3 O2","c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23;C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccccc23;CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3)N","InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1","","2019-05-23","2019-08-02","(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one","2019-08-07"],["6TP","4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide","C19 H22 N4 O3 S2","O=S(=O)(NC(C)(C)C)c3ccc(c2sc1c(cnc(c1c2)N)C(=O)NC)cc3;CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)[S](=O)(=O)NC(C)(C)C;CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC","InChI=1S/C19H22N4O3S2/c1-19(2,3)23-28(25,26)12-7-5-11(6-8-12)15-9-13-16(27-15)14(18(24)21-4)10-22-17(13)20/h5-10,23H,1-4H3,(H2,20,22)(H,21,24)","","2011-09-09","2011-11-25","4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide",""],["NQ8","(5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","C19 H30 O","C[C]12CCC[CH]1[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC2;CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C","InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1","","2019-12-11","2020-11-13","(5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","2020-11-18"],["6TS","[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate","C31 H34 Cl N7 O3","CCC(=O)Nc1ccccc1Nc2nc(Nc3ccnc(c3)C#CCCNC(=O)O[CH]4CCCC=CCC4)ncc2Cl;CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)OC4CCCC=CCC4)Cl","InChI=1S/C31H34ClN7O3/c1-2-28(40)37-26-15-8-9-16-27(26)38-29-25(32)21-35-30(39-29)36-23-17-19-33-22(20-23)12-10-11-18-34-31(41)42-24-13-6-4-3-5-7-14-24/h3-4,8-9,15-17,19-21,24H,2,5-7,11,13-14,18H2,1H3,(H,34,41)(H,37,40)(H2,33,35,36,38,39)/b4-3-/t24-/m0/s1","","2016-06-22","2024-09-27","[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate","2016-08-31"],["NQ9","N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","C21 H29 Cl2 N3 O3","N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl;c1cc(ccc1OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C21H29Cl2N3O3/c22-13-19(27)25-14-15-7-11-26(12-8-15)20(28)21(9-5-17(24)6-10-21)29-18-3-1-16(23)2-4-18/h1-4,15,17H,5-14,24H2,(H,25,27)/t17-,21+","","2022-08-17","2024-09-27","~{N}-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","2023-09-20"],["6TT","~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide","C20 H19 F3 N6 O2","CCC(=O)Nc1ccccc1Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F;CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F","InChI=1S/C20H19F3N6O2/c1-3-17(30)27-15-6-4-5-7-16(15)28-18-14(20(21,22)23)11-25-19(29-18)26-12-8-13(31-2)10-24-9-12/h4-11H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)","","2016-06-22","2024-09-27","~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide","2016-07-20"],["NQB","N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE","C24 H27 N5 O2","O=C(NC1CC1)c2cc(c(cc2)C)N3C(=O)c4cc(ccc4N=C3)N5CCN(C)CC5;CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc4C)C(=O)NC5CC5;Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5","InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)","","2011-11-30","2014-09-05","N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide",""],["6TU","(1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid","C19 H17 N O4","COc1cccc(c1)N2[CH](CC=C)c3cccc(C(O)=O)c3C2=O;COc1cccc(c1)N2C(c3cccc(c3C2=O)C(=O)O)CC=C","InChI=1S/C19H17NO4/c1-3-6-16-14-9-5-10-15(19(22)23)17(14)18(21)20(16)12-7-4-8-13(11-12)24-2/h3-5,7-11,16H,1,6H2,2H3,(H,22,23)/t16-/m0/s1","","2016-06-22","2017-02-10","(1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid","2017-02-15"],["NQC","3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione","C25 H21 Cl N2 O5","CN1C(=O)N(CCc2cccc(Cl)c2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)C=CCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3cccc(c3)Cl)C(=O)C4=C(C=CCC4=O)O","InChI=1S/C25H21ClN2O5/c1-14-17(23(31)22-19(29)7-4-8-20(22)30)9-10-18-21(14)24(32)28(25(33)27(18)2)12-11-15-5-3-6-16(26)13-15/h3-7,9-10,13,29H,8,11-12H2,1-2H3","","2023-01-17","2023-12-15","3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione","2023-12-20"],["6TV","~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide","C14 H19 N3 O2 S","CCCNCCN[S](=O)(=O)c1cccc2cnccc12;CCCNCCNS(=O)(=O)c1cccc2c1ccnc2","InChI=1S/C14H19N3O2S/c1-2-7-15-9-10-17-20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11,15,17H,2,7,9-10H2,1H3","","2016-06-22","2018-01-12","~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide","2018-01-17"],["NQD","(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid","C27 H38 O4","C(CC(=CCCC2(C)CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CCC=C(/C(=O)O)C;CC(CCC=C(C)C(O)=O)=CCCC(C)=CCC[C]1(C)CCc2cc(O)cc(C)c2O1;Cc1cc(cc2c1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)O)O","InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13-/t27-/m1/s1","garcinoic acid","2019-05-23","2020-11-06","(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid","2020-04-01"],["6TW","[(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","C22 H23 N6 O7 P","CC(=O)Nc1cc2ccccc2cc1NC3=Nc4n(cnc4C(=O)N3)[CH]5C[CH](O)[CH](COP(O)O)O5;CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4C5CC(C(O5)COP(O)O)O)C(=O)N3","InChI=1S/C22H23N6O7P/c1-11(29)24-14-6-12-4-2-3-5-13(12)7-15(14)25-22-26-20-19(21(31)27-22)23-10-28(20)18-8-16(30)17(35-18)9-34-36(32)33/h2-7,10,16-18,30,32-33H,8-9H2,1H3,(H,24,29)(H2,25,26,27,31)/t16-,17+,18+/m0/s1","","2016-06-22","2017-05-05","[(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","2017-05-10"],["NQE","2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile","C15 H13 N5 O","CN1C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12;CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N","InChI=1S/C15H13N5O/c1-19-12-6-5-11(8-13(12)20(2)15(19)21)18-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3,(H,17,18)","","2019-12-11","2020-04-17","2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile","2020-04-22"],["6TX","2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium","C14 H20 N3 O2 S","CCCN(CC[NH3+])[S](=O)(=O)c1cccc2cnccc12;CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2","InChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3/p+1","","2016-06-22","2018-01-12","2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium","2018-01-17"],["NQF","(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide","C23 H24 N4 O3","NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C;CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3cnc4NC(=O)[CH](N)CCc4c3;Cc1c2ccccc2oc1CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N","InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1","","2022-04-07","2023-02-10","(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide","2023-02-15"],["6TY","5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline","C14 H17 N3 O2 S","C[CH]1CNCCN1[S](=O)(=O)c2cccc3cnccc23;CC1CNCCN1S(=O)(=O)c2cccc3c2ccnc3","InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m1/s1","","2016-06-22","2018-01-12","5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline","2018-01-17"],["6TZ","3-(3-fluorophenyl)-1H-pyrazole","C9 H7 F N2","Fc1cccc(c1)c2cc[nH]n2;c1cc(cc(c1)F)c2cc[nH]n2","InChI=1S/C9H7FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)","","2015-03-09","2015-05-08","3-(3-fluorophenyl)-1H-pyrazole","2015-05-13"],["NQG","5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE","C28 H39 N9 O7","O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N;CCOC(=O)C[CH](O)C(=O)N[CH](CCC#N)C(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O;[H]N=C(N)NCCCC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CCC#N)NC(=O)C(CC(=O)OCC)O","InChI=1S/C28H39N9O7/c1-2-44-23(39)14-22(38)27(43)36-19(9-5-11-29)25(41)35-20(10-6-12-33-28(31)32)26(42)37-21(24(30)40)13-16-15-34-18-8-4-3-7-17(16)18/h3-4,7-8,15,19-22,34,38H,2,5-6,9-10,12-14H2,1H3,(H2,30,40)(H,35,41)(H,36,43)(H,37,42)(H4,31,32,33)/t19-,20-,21-,22-/m0/s1","","2006-11-09","2024-09-27","5-azanylidyne-N-[(2S)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-L-norvalyl-L-arginyl-L-tryptophanamide",""],["NQH","2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile","C10 H10 Cl N3","Clc1nccc(NCC2CC2)c1C#N;c1cnc(c(c1NCC2CC2)C#N)Cl","InChI=1S/C10H10ClN3/c11-10-8(5-12)9(3-4-13-10)14-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14)","","2019-12-11","2020-04-17","2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile","2020-04-22"],["6U0","[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{H}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate","C17 H20 N5 O7 P","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2cn(Cc3[nH]c(nc3)c4ccccc4)nn2;c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C17H20N5O7P/c23-14-13(9-28-30(25,26)27)29-16(15(14)24)12-8-22(21-20-12)7-11-6-18-17(19-11)10-4-2-1-3-5-10/h1-6,8,13-16,23-24H,7,9H2,(H,18,19)(H2,25,26,27)/t13-,14-,15-,16+/m1/s1","","2016-06-22","2016-07-15","[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{H}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate","2016-07-20"],["NQI","N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE","C28 H40 N8 O7","O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CC=C;CCOC(=O)C[CH](O)C(=O)N[CH](CC=C)C(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O;[H]N=C(N)NCCCC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CC=C)NC(=O)C(CC(=O)OCC)O","InChI=1S/C28H40N8O7/c1-3-8-19(35-27(42)22(37)14-23(38)43-4-2)25(40)34-20(11-7-12-32-28(30)31)26(41)36-21(24(29)39)13-16-15-33-18-10-6-5-9-17(16)18/h3,5-6,9-10,15,19-22,33,37H,1,4,7-8,11-14H2,2H3,(H2,29,39)(H,34,40)(H,35,42)(H,36,41)(H4,30,31,32)/t19-,20-,21-,22+/m0/s1","","2006-11-09","2024-09-27","N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide",""],["6U1","2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide","C19 H17 N5 O3 S2","C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(n2)c3c[nH]c4ncccc34)c1;CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4","InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)","","2016-06-23","2017-06-23","2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide","2017-06-28"],["NQJ","methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate","C23 H20 Cl F3 N2 O5 S2","COC(C(Cc1ccccc1)NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(=O)=O)s3)=O)=O;COC(=O)[CH](Cc1ccccc1)NC(=O)c2sc(c(C)c2)[S](=O)(=O)Nc3cc(ccc3Cl)C(F)(F)F;Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)NC(Cc3ccccc3)C(=O)OC","InChI=1S/C23H20ClF3N2O5S2/c1-13-10-19(20(30)28-18(21(31)34-2)11-14-6-4-3-5-7-14)35-22(13)36(32,33)29-17-12-15(23(25,26)27)8-9-16(17)24/h3-10,12,18,29H,11H2,1-2H3,(H,28,30)/t18-/m1/s1","","2019-05-24","2019-06-28","methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate","2019-07-03"],["6U2","2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide","C26 H30 N6 O2 S","CN1CCN(CCCOc2cccc(CC(=O)Nc3scc(n3)c4c[nH]c5ncccc45)c2)CC1;CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5","InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)","","2016-06-23","2017-06-23","2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide","2017-06-28"],["NQK","2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile","C15 H12 Cl N5 O","CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12;CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl","InChI=1S/C15H12ClN5O/c1-20-12-4-3-9(7-13(12)21(2)15(20)22)19-11-5-6-18-14(16)10(11)8-17/h3-7H,1-2H3,(H,18,19)","","2019-12-11","2020-04-17","2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile","2020-04-22"],["6U3","2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide","C28 H32 N4 O7 S","COc1ccccc1[CH](CN2C(=O)N(C(=O)c3c(C)c(sc23)c4occn4)C(C)(C)C(N)=O)OC5CCOCC5;Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)CC(c4ccccc4OC)OC5CCOCC5","InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H2,29,34)/t20-/m0/s1","","2016-06-23","2016-07-08","2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide","2016-07-13"],["6U4","[[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H16 N5 O13 P3","NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C2=NC(=O)N1;C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","2-oxo-dATP","2016-06-24","2021-03-01","[[(2~{R},3~{S},5~{R})-5-(6-azanyl-2-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2017-01-04"],["S7Q","(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate","C22 H33 N3 O5 S","CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O;CC(C)C(C(=O)NC(C)C(=O)NC(CCSC)C(=O)C)NC(=O)OCc1ccccc1","InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m1/s1","zVAM.fmk","2020-11-10","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate","2021-07-28"],["S7R","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide","C23 H24 Cl N5 O S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Nc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCNCC2)Nc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C23H24ClN5OS/c24-17-4-6-18(7-5-17)29-23(8-10-27-11-9-23)22(30)28-19-3-1-2-15(12-19)16-13-20(21(25)26)31-14-16/h1-7,12-14,27,29H,8-11H2,(H3,25,26)(H,28,30)","","2022-12-14","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide","2023-08-02"],["6U5","~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide","C12 H17 N3 O2 S","CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1;CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C","InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3","","2016-06-24","2016-09-16","~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide","2016-09-21"],["S7S","~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide","C7 H13 N5 O","CCCC(=O)Nc1nnn(CC)n1;CCCC(=O)Nc1nnn(n1)CC","InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)","","2020-03-05","2020-04-17","~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide","2020-04-22"],["6U6","3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid","C10 H8 Cl N O2 S","OC(=O)CCc1sc2ccc(Cl)cc2n1;c1cc2c(cc1Cl)nc(s2)CCC(=O)O","InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)","","2016-06-24","2016-07-22","3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid","2016-07-27"],["S7T","4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide","C19 H23 N3 O4","CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(CCC(=O)NO)c2;CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C","InChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24)","4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide","2020-11-11","2021-10-01","4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide","2021-10-06"],["6U7","6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine","C23 H21 N3 O3","COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC;Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4","InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)","","2016-06-27","2016-08-24","6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine","2016-08-31"],["S7U","1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","C27 H25 Cl N4 O3 S","N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1;Clc1ccc2CN(C[C]3(CCCN(C3=O)c4cncc5ccccc45)c2c1)[S](=O)(=O)CC6(CC6)C#N;c1ccc2c(c1)cncc2N3CCCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N","InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1","","2023-08-22","2023-11-03","1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","2023-11-08"],["6U8","(2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile","C25 H33 Br N2 O2","COc1ccc(CCN(C)CCC[C](C#N)(C(C)C)c2ccccc2Br)cc1OC;CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br","InChI=1S/C25H33BrN2O2/c1-19(2)25(18-27,21-9-6-7-10-22(21)26)14-8-15-28(3)16-13-20-11-12-23(29-4)24(17-20)30-5/h6-7,9-12,17,19H,8,13-16H2,1-5H3/t25-/m1/s1","","2016-06-27","2016-08-24","(2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile","2016-08-31"],["S7V","[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol","C12 H17 N O2","c1(ccccc1)CN2CCOC(CO)C2;OC[CH]1CN(CCO1)Cc2ccccc2;c1ccc(cc1)CN2CCOC(C2)CO","InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1","","2020-03-05","2020-10-09","[(2R)-4-benzylmorpholin-2-yl]methanol","2020-04-15"],["6U9","S-nimodipine","C21 H26 N2 O7","COCCOC(=O)C1=C(C)NC(=C([CH]1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C;CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC","InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3/t19-/m0/s1","~{O}3-(2-methoxyethyl) ~{O}5-propan-2-yl (4~{S})-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","2016-06-27","2026-01-14","~{O}3-(2-methoxyethyl) ~{O}5-propan-2-yl (4~{S})-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","2016-08-31"],["S7W","TEGAFUR","C8 H9 F N2 O3","FC1=CN([CH]2CCCO2)C(=O)NC1=O;C1CC(OC1)N2C=C(C(=O)NC2=O)F","InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1","","2020-11-11","2020-11-27","5-fluoranyl-1-[(2~{R})-oxolan-2-yl]pyrimidine-2,4-dione","2020-12-02"],["6UA","6-aminopyrimidine-2,4(3H,5H)-dione","C4 H5 N3 O2","O=C1NC(=O)N=C(N)C1;NC1=NC(=O)NC(=O)C1;C1C(=NC(=O)NC1=O)N","InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)","","2014-10-27","2015-07-10","6-aminopyrimidine-2,4(3H,5H)-dione","2015-07-15"],["S7X","1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide","C22 H21 Cl F N5 O3","Clc1cccc(CNC(=O)C2CCCN2C(=O)Cn2nc(c3ccccc32)C(N)=O)c1F;NC(=O)c1nn(CC(=O)N2CCC[CH]2C(=O)NCc3cccc(Cl)c3F)c4ccccc14;c1ccc2c(c1)c(nn2CC(=O)N3CCCC3C(=O)NCc4cccc(c4F)Cl)C(=O)N","InChI=1S/C22H21ClFN5O3/c23-15-7-3-5-13(19(15)24)11-26-22(32)17-9-4-10-28(17)18(30)12-29-16-8-2-1-6-14(16)20(27-29)21(25)31/h1-3,5-8,17H,4,9-12H2,(H2,25,31)(H,26,32)/t17-/m0/s1","","2022-06-24","2022-10-28","1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide","2022-11-02"],["6UB","amlodipine","C20 H25 Cl N2 O5","CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C;CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN","InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1","~{O}3-ethyl ~{O}5-methyl\n(4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate","2016-06-27","2020-06-17","~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate","2016-08-31"],["S7Y","alosetron","C17 H18 N4 O","Cn1c2CCN(Cc3[nH]cnc3C)C(=O)c2c4ccccc14;Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O","InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)","5-methyl-2-[(4-methyl-1~{H}-imidazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one","2020-03-05","2021-03-13","5-methyl-2-[(4-methyl-1~{H}-imidazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one","2021-01-13"],["6UC","O3-ethyl O5-methyl (4R)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate","C22 H29 Br N2 O5","CCOC(=O)C1=C(COCCN(C)C)NC(=C([CH]1c2ccccc2Br)C(=O)OC)C;CCOC(=O)C1=C(NC(=C(C1c2ccccc2Br)C(=O)OC)C)COCCN(C)C","InChI=1S/C22H29BrN2O5/c1-6-30-22(27)20-17(13-29-12-11-25(3)4)24-14(2)18(21(26)28-5)19(20)15-9-7-8-10-16(15)23/h7-10,19,24H,6,11-13H2,1-5H3/t19-/m1/s1","","2016-06-27","2016-08-31","O3-ethyl O5-methyl (4R)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate","2016-08-31"],["S7Z","(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol","C14 H6 F4 N2 O4","OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1;c1c(cc(c(c1F)N=Nc2c(cc(cc2F)C(=O)O)F)F)C(=O)O","InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-","[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol","2020-11-11","2024-09-27","4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid","2021-12-15"],["6UD","5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid","C11 H20 N4 O7","C(C=1OC(C(C(C=1)O)NC(=O)C)C(C(O)CNNN)O)(=O)O;CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CNNN)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CNNN)O)O)C(=O)O)O","InChI=1S/C11H20N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,13,15,17-19H,3,12H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1","(2~{R},3~{R},4~{S})-3-acetamido-2-[(1~{R},2~{R})-3-(2-azanylhydrazinyl)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-3,4-dihydro\n-2~{H}-pyran-6-carboxylic acid","2016-06-27","2020-07-17","5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid","2017-06-28"],["S80","N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE","C20 H37 N3 O6","O=C(NO)C(CCCO)C(C(=O)NC1C(=O)N(CCOC)CCCC1)CC(C)C;COCCN1CCCC[CH](NC(=O)[CH](CC(C)C)[CH](CCCO)C(=O)NO)C1=O;CC(C)CC(C(CCCO)C(=O)NO)C(=O)NC1CCCCN(C1=O)CCOC","InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,17-/m0/s1","A DISUBSTITUTED SUCCINYL CAPROLACTAM HYDROXYMATE MMP3 INHIBITOR","1999-07-08","2021-03-01","(2S,3R)-N~1~-hydroxy-2-(3-hydroxypropyl)-N~4~-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide",""],["6UE","1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea","C25 H20 N4 O","Cc1ncc(NC(=O)N[CH]2c3ccccc3c4ccccc24)c(n1)c5ccccc5;Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5","InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)","","2016-06-27","2016-12-22","1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea","2016-12-28"],["S81","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside","C12 H25 F N4 O5","C1(C(C(O)C(F)C(CN)O1)N)OC2C(C(O)C(N)CC2N)O;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1F;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)F)O)N)O)O)N","InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucoside;\n(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-D-glucoside;\n(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-glucoside","2015-06-17","2020-07-17","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside","2016-06-22"],["6UF","~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide","C20 H17 N3 O S","O=C(Cn1c2ccccc2cc1c3sccc3)NCc4ccccn4;c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4","InChI=1S/C20H17N3OS/c24-20(22-13-16-7-3-4-10-21-16)14-23-17-8-2-1-6-15(17)12-18(23)19-9-5-11-25-19/h1-12H,13-14H2,(H,22,24)","","2016-06-27","2016-12-22","~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide","2016-12-28"],["S82","4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide","C20 H26 N4 O2","O=C(NC2CC2c1ccccc1)N4CCC(c3nc(no3)C(C)C)CC4;CC(C)c1noc(n1)[CH]2CCN(CC2)C(=O)N[CH]3C[CH]3c4ccccc4;CC(C)c1nc(on1)C2CCN(CC2)C(=O)NC3CC3c4ccccc4","InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1","","2010-09-27","2011-06-04","N-[(1S,2R)-2-phenylcyclopropyl]-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide",""],["6UG","2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide","C20 H13 F5 N2 O","Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)c3ccc(F)cc3;Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F","InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)","","2016-06-27","2016-12-22","2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide","2016-12-28"],["6UH","1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea","C19 H16 F3 N3 O2","Cc1onc(c1NC(=O)NCc2ccccc2C(F)(F)F)c3ccccc3;Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F","InChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-7-3-2-4-8-13)24-18(26)23-11-14-9-5-6-10-15(14)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)","","2016-06-27","2016-12-22","1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea","2016-12-28"],["S84","N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE","C19 H25 F3 N4","CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F;Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F","InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)","","2015-03-23","2015-07-10","N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethyl-ethane-1,2-diamine","2015-07-15"],["6UI","4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine","C19 H15 N3 O","n4c(c1ccc2c(c1)ccc(OC)c2)c(c3ccncc3)nc4;COc1ccc2cc(ccc2c1)c3nc[nH]c3c4ccncc4;COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4","InChI=1S/C19H15N3O/c1-23-17-5-4-14-10-16(3-2-15(14)11-17)19-18(21-12-22-19)13-6-8-20-9-7-13/h2-12H,1H3,(H,21,22)","","2014-07-07","2015-07-17","4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine","2015-07-22"],["S85","N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE","C18 H25 F N4","CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC","InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)","","2015-03-23","2015-07-10","N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-fluoranyl-phenyl]-N,N'-dimethyl-ethane-1,2-diamine","2015-07-15"],["S86","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide","C24 H22 Cl F2 N3 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC(F)(F)CC3)Oc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCC(CC2)(F)F)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C24H22ClF2N3O2S/c25-17-4-6-19(7-5-17)32-23(8-10-24(26,27)11-9-23)22(31)30-18-3-1-2-15(12-18)16-13-20(21(28)29)33-14-16/h1-7,12-14H,8-11H2,(H3,28,29)(H,30,31)","","2022-12-14","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide","2023-08-02"],["6UJ","1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea","C22 H18 N4 O","Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(n1)c4ccccc4;Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4","InChI=1S/C22H18N4O/c1-15-23-14-20(21(24-15)17-9-3-2-4-10-17)26-22(27)25-19-13-7-11-16-8-5-6-12-18(16)19/h2-14H,1H3,(H2,25,26,27)","","2016-06-27","2016-12-22","1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea","2016-12-28"],["S87","ondansetron","C18 H19 N3 O","Cn1c2CC[CH](Cn3ccnc3C)C(=O)c2c4ccccc14;Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O","InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3","9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1~{H}-carbazol-4-one","2020-03-05","2021-03-13","9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1~{H}-carbazol-4-one","2021-01-13"],["6UK","1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea","C20 H17 F3 N4 O","Cc1ncc(NC(=O)NCc2ccccc2C(F)(F)F)c(n1)c3ccccc3;Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F","InChI=1S/C20H17F3N4O/c1-13-24-12-17(18(26-13)14-7-3-2-4-8-14)27-19(28)25-11-15-9-5-6-10-16(15)20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,28)","","2016-06-27","2016-12-22","1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea","2016-12-28"],["S88","N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide","C25 H27 F N2 O","Fc1cccc(c1)CNC(=O)C4CCN(C(c3c2ccccc2ccc3)C)CC4;C[CH](N1CC[CH](CC1)C(=O)NCc2cccc(F)c2)c3cccc4ccccc34;CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F","InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1","","2014-01-31","2014-09-05","N-(3-fluorobenzyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide","2014-04-23"],["6UL","TETRACOSYL PALMITATE","C40 H80 O2","O=C(OCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC","InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h3-39H2,1-2H3","","2006-05-24","2011-06-04","tetracosyl hexadecanoate",""],["S89","N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide","C27 H28 N2 O3","O=C(C=Cc1ccccc1)NC(C(=O)NC(Cc2ccccc2)CO)Cc3ccccc3;OC[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3;c1ccc(cc1)CC(CO)NC(=O)C(Cc2ccccc2)NC(=O)C=Cc3ccccc3","InChI=1S/C27H28N2O3/c30-20-24(18-22-12-6-2-7-13-22)28-27(32)25(19-23-14-8-3-9-15-23)29-26(31)17-16-21-10-4-1-5-11-21/h1-17,24-25,30H,18-20H2,(H,28,32)(H,29,31)/b17-16+/t24-,25-/m0/s1","","2011-07-18","2024-09-27","N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide",""],["6UM","1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea","C17 H15 N5 O","Cc1ncc(NC(=O)Nc2ccccn2)c(n1)c3ccccc3;Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3","InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23)","","2016-06-27","2016-12-22","1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea","2016-12-28"],["S8A","(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid","C9 H7 N O5 S","O=C2c1ccccc1S(=O)(N2CC(O)=O)=O;OC(=O)CN1C(=O)c2ccccc2[S]1(=O)=O;c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O","InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)","","2015-07-16","2015-11-06","(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid","2015-11-11"],["6UN","(3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid","C6 H6 O4","OC=CC=CC(=O)C(O)=O;C(=CC(=O)C(=O)O)C=CO","InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,7H,(H,9,10)/b3-1+,4-2+","","2016-06-27","2016-11-04","(3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid","2016-11-09"],["S8B","~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide","C16 H15 N3 O","CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2;CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2","InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)","","2020-11-11","2020-11-27","~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide","2020-12-02"],["6UO","2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate","C21 H24 N2 O6 S","O=C(OCCOC(=O)c1cccnc1)[CH]2CCCCN2[S](=O)(=O)Cc3ccccc3;c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCOC(=O)c3cccnc3","InChI=1S/C21H24N2O6S/c24-20(18-9-6-11-22-15-18)28-13-14-29-21(25)19-10-4-5-12-23(19)30(26,27)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2/t19-/m0/s1","","2016-06-28","2017-05-26","2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate","2017-05-31"],["S8D","2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide","C10 H20 N2 O2","CCNC(=O)CN1C[CH](C)OC[CH]1C;CCNC(=O)CN1CC(OCC1C)C","InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1","","2020-03-05","2020-04-17","2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide","2020-04-22"],["6UP","8-aminonaphthalene-2-carboximidamide","C11 H11 N3","[N@H]=C(c1cc2c(cc1)cccc2N)N;NC(=N)c1ccc2cccc(N)c2c1;c1cc2ccc(cc2c(c1)N)C(=N)N","InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)","","2012-07-01","2012-08-17","8-aminonaphthalene-2-carboximidamide",""],["S8E","(1-methyl-2-nitro-1H-imidazol-5-yl)methyl (R)-N-(2-bromoethyl)-N'-ethylphosphorodiamidate","C9 H17 Br N5 O4 P","O=[N+]([O-])c1ncc(COP(=O)(NCC)NCCBr)n1C;CCN[P](=O)(NCCBr)OCc1cnc(n1C)[N+]([O-])=O;CCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]","InChI=1S/C9H17BrN5O4P/c1-3-12-20(18,13-5-4-10)19-7-8-6-11-9(14(8)2)15(16)17/h6H,3-5,7H2,1-2H3,(H2,12,13,18)/t20-/m1/s1","","2020-11-11","2026-04-05","(1-methyl-2-nitro-1H-imidazol-5-yl)methyl (R)-N-(2-bromoethyl)-N'-ethylphosphorodiamidate","2020-12-02"],["6UQ","(2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)","C61 H90 Cl2 O32","C%11(OC(c1c(c(c(c(c1C)Cl)O)Cl)OC)=O)C(OC(OC%10C(CC9(OC8C(OC(OC7C(C(OC6C(C(C(OC5C(C4OC3(C2OCOC2C(C(C)O)(C(O3)C)O)OC4CO5)OC(C(C)C)=O)OC6COC)OC)O)OC(C7OC)C)O)CC8(O9)C)C)OC%10C)O)CC%11O)C;COC[CH]1O[CH](O[CH]2OC[CH]3O[C]4(O[CH](C)[C](O)([CH](C)O)[CH]5OCO[CH]45)O[CH]3[CH]2OC(=O)C(C)C)[CH](OC)[CH](O)[CH]1O[CH]6O[CH](C)[CH](OC)[CH](O[CH]7C[C]8(C)O[C]9(C[CH](O)[CH](O[CH]%10C[CH](O)[CH](OC(=O)c%11c(C)c(Cl)c(O)c(Cl)c%11OC)[CH](C)O%10)[CH](C)O9)O[CH]8[CH](C)O7)[CH]6O;Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)OC2C(OC(CC2O)OC3C(OC4(CC3O)OC5C(OC(CC5(O4)C)OC6C(C(OC(C6OC)C)OC7C(OC(C(C7O)OC)OC8C(C9C(CO8)OC1(O9)C2C(C(C(O1)C)(C(C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C","InChI=1S/C61H90Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-34,39-45,47-52,55-57,64-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59-,60-,61-/m1/s1","Avilamycin C","2016-06-28","2021-03-01","(2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)","2016-08-17"],["S8F","3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine","C17 H18 F N5","Fc1cccc(c1)CCCNCc2nc(ncc2)n3ccnc3;Fc1cccc(CCCNCc2ccnc(n2)n3ccnc3)c1;c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3","InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2","N-(2-(1H-IMIDAZOL-1-YL)-4-PYRIMIDYLMETHYL)-3-(3-FLUOROPHENYL)PROPAN-1-AMINE","2014-10-21","2021-03-01","3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine","2014-12-24"],["6UR","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p\nhosphonamidic acid","C20 H24 N7 O6 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O;c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17-,20-/m1/s1","TpAd","2016-06-28","2020-06-17","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid","2017-06-28"],["S8G","1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one","C9 H15 F3 N2 O","N[CH]1CCCN(C1)C(=O)CCC(F)(F)F;C1CC(CN(C1)C(=O)CCC(F)(F)F)N","InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1","","2020-03-05","2020-04-17","1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one","2020-04-22"],["6US","[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid","C20 H24 N7 O6 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O;c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17+,20-/m1/s1","TpAra-Ad","2016-06-28","2021-03-01","[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid","2017-06-28"],["S8H","(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid","C13 H23 N3 O6 S","CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O;CC(C)OC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N","InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1","","2020-11-11","2024-09-27","(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid","2020-12-02"],["6UT","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~\n{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid","C22 H27 N8 O8 P","CNC(=O)[CH](Cc1c[nH]c2ccccc12)N[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N;CNC(=O)C(Cc1c[nH]c2c1cccc2)NP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O","InChI=1S/C22H27N8O8P/c1-24-19(33)13(6-10-7-25-12-5-3-2-4-11(10)12)29-39(35,36)37-8-14-16(31)17(32)21(38-14)30-9-26-15-18(30)27-22(23)28-20(15)34/h2-5,7,9,13-14,16-17,21,25,31-32H,6,8H2,1H3,(H,24,33)(H2,29,35,36)(H3,23,27,28,34)/t13-,14+,16+,17+,21+/m0/s1","L-Trp-G","2016-06-28","2020-06-17","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid","2017-06-28"],["S8I","1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium","C14 H18 N2","CC[n+]1ccc(cc1)c2cc[n+](CC)cc2;CC[n+]1ccc(cc1)c2cc[n+](cc2)CC","InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2","","2023-04-11","2024-04-12","1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium","2024-04-17"],["6UU","[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid","C10 H13 N2 O3 P","O[P](O)(=O)NCCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O","InChI=1S/C10H13N2O3P/c13-16(14,15)12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H3,12,13,14,15)","","2016-06-28","2024-09-27","[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid","2017-06-28"],["S8J","3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide","C11 H13 N5 O2","CCOc1cccc(c1)C(=O)Nc2nnn(C)n2;CCOc1cccc(c1)C(=O)Nc2nnn(n2)C","InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)","","2020-03-05","2020-04-17","3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide","2020-04-22"],["6UV","(2~{R})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid","C20 H22 N8 O5","CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1","","2016-06-29","2016-07-08","(2~{R})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid","2016-07-13"],["S8K","~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate","C27 H35 N3 O5 S","CC(C)(C)OC(=O)N1CCC[CH](CNCCOc2cccc3n(ccc23)[S](=O)(=O)c4ccccc4)C1;CC(C)(C)OC(=O)N1CCCC(C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4","InChI=1S/C27H35N3O5S/c1-27(2,3)35-26(31)29-16-8-9-21(20-29)19-28-15-18-34-25-13-7-12-24-23(25)14-17-30(24)36(32,33)22-10-5-4-6-11-22/h4-7,10-14,17,21,28H,8-9,15-16,18-20H2,1-3H3/t21-/m0/s1","","2020-11-11","2021-09-24","~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate","2021-09-29"],["6UW","2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid","C16 H11 Cl F N O3","OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12;c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F","InChI=1S/C16H11ClFNO3/c17-12-5-2-6-13(18)11(12)8-19-7-9-3-1-4-10(16(21)22)14(9)15(19)20/h1-6H,7-8H2,(H,21,22)","","2016-06-29","2017-02-10","2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid","2017-02-15"],["S8L","1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde","C10 H16 N O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cccc2C=O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cccc2C=O;c1cc(n(c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C=O","InChI=1S/C10H16NO14P3/c12-4-6-2-1-3-11(6)10-9(14)8(13)7(23-10)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-4,7-10,13-14H,5H2,(H,18,19)(H,20,21)(H2,15,16,17)/t7-,8-,9-,10?/m1/s1","","2022-06-27","2023-01-27","1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde","2023-02-01"],["6UX","1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea","C25 H22 F3 N7 O4 S","CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c3ccnc(Nc4cccc(c4)[S](N)(=O)=O)n3;CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N","InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)","","2016-06-29","2016-11-11","1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea","2016-11-16"],["S8M","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[[(3~{S})-3-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol","C14 H20 N10 O3 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4[nH]nnn4;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(c4[nH]nnn4)N)O)O)N","InChI=1S/C14H20N10O3S/c15-6(12-20-22-23-21-12)1-2-28-3-7-9(25)10(26)14(27-7)24-5-19-8-11(16)17-4-18-13(8)24/h4-7,9-10,14,25-26H,1-3,15H2,(H2,16,17,18)(H,20,21,22,23)/t6-,7+,9+,10+,14+/m0/s1","","2015-10-23","2015-12-18","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[[(3~{S})-3-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol","2015-12-23"],["6UY","[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate","C19 H15 F N4 O3","Nc1nccnc1C(=O)O[CH](C(=O)Nc2ccc(F)cc2)c3ccccc3;c1ccc(cc1)C(C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N","InChI=1S/C19H15FN4O3/c20-13-6-8-14(9-7-13)24-18(25)16(12-4-2-1-3-5-12)27-19(26)15-17(21)23-11-10-22-15/h1-11,16H,(H2,21,23)(H,24,25)/t16-/m1/s1","","2016-06-29","2016-11-11","[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate","2016-11-16"],["S8N","(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone","C38 H51 N3 O8","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)N(C)C(=O)COc4cccc2c4)C5CCCCC5)cc1OC;CC1(C(=O)NC(C(=O)N2CCCCC2C(=O)OC(c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C","InChI=1S/C38H51N3O8/c1-38(2)37(45)39-34(26-12-7-6-8-13-26)35(43)41-21-10-9-16-29(41)36(44)49-30(19-17-25-18-20-31(46-4)32(22-25)47-5)27-14-11-15-28(23-27)48-24-33(42)40(38)3/h11,14-15,18,20,22-23,26,29-30,34H,6-10,12-13,16-17,19,21,24H2,1-5H3,(H,39,45)/t29-,30+,34+/m0/s1","","2020-11-11","2021-04-16","(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone","2021-04-21"],["6UZ","omega-undecylenyl-beta-D-maltopyranoside","C23 H42 O11","OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C=CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl\n)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol","2016-06-29","2020-06-17","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol","2017-03-22"],["S8O","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide","C24 H24 Cl N3 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCCCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)30-24(11-2-1-3-12-24)23(29)28-19-6-4-5-16(13-19)17-14-21(22(26)27)31-15-17/h4-10,13-15H,1-3,11-12H2,(H3,26,27)(H,28,29)","","2022-12-14","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide","2023-08-02"],["6V0","[[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C21 H29 N7 O14 P2","NC(=O)C1=CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N","InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-2,4,7-8,10-11,13-16,20-21,29-32H,3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","6DHNAD","2016-06-30","2021-03-01","[[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2016-11-02"],["S8P","5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide","C10 H14 N2 O2 S","Cc1snc(c1)C(=O)NC[CH]2CCCO2;Cc1cc(ns1)C(=O)NCC2CCCO2","InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1","","2020-03-05","2020-04-17","5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide","2020-04-22"],["6V1","(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid","C9 H14 N2 O4 S","CCN1C(=O)C[CH](SC[CH](N)C(O)=O)C1=O;CCN1C(=O)CC(C1=O)SCC(C(=O)O)N","InChI=1S/C9H14N2O4S/c1-2-11-7(12)3-6(8(11)13)16-4-5(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,14,15)/t5-,6+/m0/s1","","2016-07-01","2024-09-27","(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid","2016-08-17"],["S8Q","2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone","C22 H32 N2 O5","COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3;CC1CN(CC(O1)C)C(=O)CON=C(C)c2ccc(c(c2)OC3CCCC3)OC","InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1","","2020-11-11","2021-06-25","2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone","2021-06-30"],["6V2","(2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide","C27 H31 N5 O4 S","CN(CC(=O)NCc1ccc(cc1)C(N)=N)C(=O)[CH](Cc2ccccc2)N[S](=O)(=O)Cc3ccccc3;CN(CC(=O)NCc1ccc(cc1)C(=N)N)C(=O)C(Cc2ccccc2)NS(=O)(=O)Cc3ccccc3","InChI=1S/C27H31N5O4S/c1-32(18-25(33)30-17-21-12-14-23(15-13-21)26(28)29)27(34)24(16-20-8-4-2-5-9-20)31-37(35,36)19-22-10-6-3-7-11-22/h2-15,24,31H,16-19H2,1H3,(H3,28,29)(H,30,33)/t24-/m1/s1","","2015-03-16","2016-01-22","(2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-N-methyl-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide","2016-01-27"],["S8R","N-[4-({[(6R)-2-amino-5-formyl-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid","C25 H30 N8 O10","O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c1ccc(cc1)NCC1CNc2nc(N)nc(O)c2N1C=O)C(=O)O;Nc1nc(O)c2N(C=O)[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)CNc2n1;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)NCC2CNc3c(c(nc(n3)N)O)N2C=O","InChI=1S/C25H30N8O10/c26-25-31-20-19(22(39)32-25)33(11-34)14(10-28-20)9-27-13-3-1-12(2-4-13)21(38)30-16(24(42)43)5-7-17(35)29-15(23(40)41)6-8-18(36)37/h1-4,11,14-16,27H,5-10H2,(H,29,35)(H,30,38)(H,36,37)(H,40,41)(H,42,43)(H4,26,28,31,32,39)/t14-,15+,16+/m1/s1","","2023-08-23","2024-08-16","N-[4-({[(6R)-2-amino-5-formyl-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid","2024-08-21"],["6V3","1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea","C29 H28 N6 O2","CN1CCN(CC1)c2cccc3cc(NC(=O)Nc4ccc(Oc5ccnc6[nH]ccc56)cc4)ccc23;CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6","InChI=1S/C29H28N6O2/c1-34-15-17-35(18-16-34)26-4-2-3-20-19-22(7-10-24(20)26)33-29(36)32-21-5-8-23(9-6-21)37-27-12-14-31-28-25(27)11-13-30-28/h2-14,19H,15-18H2,1H3,(H,30,31)(H2,32,33,36)","","2016-07-01","2016-11-11","1-[5-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-[4-(1~{H}-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea","2016-11-16"],["S8T","9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine","C17 H17 F S","CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1;CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F","InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3","Isofloxythepin","2020-11-11","2024-09-27","9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine","2020-12-02"],["6V4","N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide","C32 H34 N6 O4 S","CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(NC(=O)Nc4ccccc4)c3)C(=O)N5CCN(C)CC5;CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C","InChI=1S/C32H34N6O4S/c1-21(2)42-28-19-23(31(40)38-16-14-37(3)15-17-38)12-13-26(28)35-29(39)27-20-43-30(36-27)22-8-7-11-25(18-22)34-32(41)33-24-9-5-4-6-10-24/h4-13,18-21H,14-17H2,1-3H3,(H,35,39)(H2,33,34,41)","","2016-07-01","2016-11-11","~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-4-carboxamide","2016-11-16"],["S8U","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde","C10 H14 N O7 P","O=P(O)(O)OCC1OC(CC1O)n1cccc1C=O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cccc2C=O;c1cc(n(c1)C2CC(C(O2)COP(=O)(O)O)O)C=O","InChI=1S/C10H14NO7P/c12-5-7-2-1-3-11(7)10-4-8(13)9(18-10)6-17-19(14,15)16/h1-3,5,8-10,13H,4,6H2,(H2,14,15,16)/t8-,9+,10+/m0/s1","","2022-06-27","2023-01-27","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde","2023-02-01"],["6V5","N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide","C32 H33 N5 O4 S","CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(C)CC5;CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C","InChI=1S/C32H33N5O4S/c1-21(2)41-28-19-24(32(40)37-16-14-36(3)15-17-37)12-13-26(28)34-30(39)27-20-42-31(35-27)23-9-7-8-22(18-23)29(38)33-25-10-5-4-6-11-25/h4-13,18-21H,14-17H2,1-3H3,(H,33,38)(H,34,39)","","2016-07-01","2016-11-11","~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide","2016-11-16"],["S8V","~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine","C8 H15 N O","C1C[CH](CNC2CC2)CO1;C1CC1NCC2CCOC2","InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1","","2020-03-05","2020-04-17","~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine","2020-04-22"],["6V6","[(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate","C38 H73 O10 P","CCCCCCCCCCCCCCCC(=O)OCC(CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35-36,39-40H,3-13,15,17-34H2,1-2H3,(H,43,44)/t35-,36?/m1/s1","","2016-07-01","2016-10-28","[(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate","2016-11-02"],["S8W","~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide","C22 H24 N8 O","CC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1[CH]5C[CH]5CN;CC(=O)Nc1cc(ccc1C2CC2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C22H24N8O/c1-12(31)26-19-7-16(4-5-17(19)18-6-13(18)9-23)27-20-8-21(28-15-2-3-15)30-22(29-20)14(10-24)11-25-30/h4-5,7-8,11,13,15,18,28H,2-3,6,9,23H2,1H3,(H,26,31)(H,27,29)/t13-,18+/m0/s1","","2020-11-11","2021-11-19","~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide","2021-11-24"],["6V7","[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid","C21 H28 B N3 O5","CC(C)C[CH](NC(=O)[CH](NC(=O)c1cccc(n1)c2ccccc2)[CH](C)O)B(O)O;B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O","InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18-,19-/m0/s1","","2016-07-01","2024-09-27","[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid","2016-08-17"],["S8X","5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol","C15 H16 N4 S","Cc1ccc(C)n1n1c(nnc1S)Cc1ccccc1;Cc1ccc(C)n1n2c(S)nnc2Cc3ccccc3;Cc1ccc(n1n2c(nnc2S)Cc3ccccc3)C","InChI=1S/C15H16N4S/c1-11-8-9-12(2)18(11)19-14(16-17-15(19)20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,20)","","2023-05-09","2023-06-09","5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol","2023-06-14"],["6V8","[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid","C14 H19 B Cl2 N2 O4","CC(C)C[CH](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O;B(C(CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O","InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1","","2016-07-01","2024-09-27","[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid","2016-08-17"],["S8Y","5-[[[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid","C23 H27 N3 O6","O=C(NC(C)(C)C)C(c1ccccc1)NC(=O)N(C)Cc2ccc3OCOc3c2C(=O)O;CN(Cc1ccc2OCOc2c1C(O)=O)C(=O)N[CH](C(=O)NC(C)(C)C)c3ccccc3;CC(C)(C)NC(=O)C(c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3","InChI=1S/C23H27N3O6/c1-23(2,3)25-20(27)18(14-8-6-5-7-9-14)24-22(30)26(4)12-15-10-11-16-19(32-13-31-16)17(15)21(28)29/h5-11,18H,12-13H2,1-4H3,(H,24,30)(H,25,27)(H,28,29)/t18-/m1/s1","","2013-11-14","2014-09-05","5-{[{[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]carbamoyl}(methyl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid","2013-11-27"],["6V9","2-methyl-1,3-thiazole-5-carboxylic acid","C5 H5 N O2 S","Cc1sc(cn1)C(O)=O;Cc1ncc(s1)C(=O)O","InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)","","2016-07-04","2024-09-27","2-methyl-1,3-thiazole-5-carboxylic acid","2016-08-17"],["S8Z","(8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE","C23 H20 F4 N4 O2","FC(F)Oc1ccc(cc1)C3(N=C(N)N2C3=NCC(F)(F)C2)c4cccc(C#CCOC)c4;COCC#Cc1cccc(c1)[C]2(N=C(N)N3CC(F)(F)CN=C23)c4ccc(OC(F)F)cc4;COCC#Cc1cccc(c1)C2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F","InChI=1S/C23H20F4N4O2/c1-32-11-3-5-15-4-2-6-17(12-15)23(16-7-9-18(10-8-16)33-20(24)25)19-29-13-22(26,27)14-31(19)21(28)30-23/h2,4,6-10,12,20H,11,13-14H2,1H3,(H2,28,30)/t23-/m1/s1","","2011-12-20","2014-09-05","(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine",""],["6VA","(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol","C12 H19 N O2","CC(C)(O)[CH](O)[CH](N)Cc1ccccc1;CC(C)(C(C(Cc1ccccc1)N)O)O","InChI=1S/C12H19NO2/c1-12(2,15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,14-15H,8,13H2,1-2H3/t10-,11+/m0/s1","","2016-07-04","2024-09-27","(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol","2016-08-17"],["S90","N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-cyclopropyl-N2-methylethane-1,2-diamine","C20 H27 F N4","CNCCN(C1CC1)c2cc(F)cc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3","InChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24)","","2015-03-22","2015-06-19","N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-fluoranyl-phenyl]-N'-cyclopropyl-N-methyl-ethane-1,2-diamine","2015-06-24"],["6VB","Bromo-trisulfonatocalix[4]arene","C28 H23 Br O13 S3","Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(Br)c2)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O","InChI=1S/C28H23BrO13S3/c29-21-5-13-1-15-7-22(43(34,35)36)9-17(26(15)31)3-19-11-24(45(40,41)42)12-20(28(19)33)4-18-10-23(44(37,38)39)8-16(27(18)32)2-14(6-21)25(13)30/h5-12,30-33H,1-4H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)","","2016-07-04","2017-07-07","","2017-07-12"],["6VC","~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide","C20 H40 N2 O6","CC(C)CCCCC(=O)N[CH](CO)C(=O)N[CH](CC(C)C)[CH](O)[C](C)(O)CO;CC(C)CCCCC(=O)NC(CO)C(=O)NC(CC(C)C)C(C(C)(CO)O)O","InChI=1S/C20H40N2O6/c1-13(2)8-6-7-9-17(25)21-16(11-23)19(27)22-15(10-14(3)4)18(26)20(5,28)12-24/h13-16,18,23-24,26,28H,6-12H2,1-5H3,(H,21,25)(H,22,27)/t15-,16-,18+,20-/m0/s1","Dihydroeponemycin bound form","2016-07-05","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide","2016-08-17"],["S91","[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID","C20 H19 N5 O3","O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C;Cc1cccc(Nc2nc(Nc3ccc(CC(O)=O)cc3)ncc2C(N)=O)c1;Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N","InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25)","(4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID","2005-03-22","2021-03-01","[4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid",""],["S92","7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C24 H26 N10 O","O=C1NC=C(C=C1)c2n(CCN3CCCCC3)nnc2c4cc(NC5CC5)n6ncc(C#N)c6n4;c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6","InChI=1S/C24H26N10O/c25-13-17-15-27-34-20(28-18-5-6-18)12-19(29-24(17)34)22-23(16-4-7-21(35)26-14-16)33(31-30-22)11-10-32-8-2-1-3-9-32/h4,7,12,14-15,18,28H,1-3,5-6,8-11H2,(H,26,35)","","2020-11-11","2021-11-19","7-(cyclopropylamino)-5-[5-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1-(2-piperidin-1-ylethyl)-1,2,3-triazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2021-11-24"],["6VD","2-ETHYL-4(1H)-QUINOLINONE","C11 H11 N O","CCc1cc(O)c2ccccc2n1;CCc1cc(c2ccccc2n1)O","InChI=1S/C11H11NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3,(H,12,13)","","2016-05-04","2016-07-29","2-ethylquinolin-4-ol","2016-08-03"],["S93","~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide","C18 H21 Cl F N5 O2","CC(C)(C)NC(=O)N1CCn2nc(c3ccc(F)c(Cl)c3)c(C(N)=O)c2C1;CC(C)(C)NC(=O)N1CCn2c(c(c(n2)c3ccc(c(c3)Cl)F)C(=O)N)C1","InChI=1S/C18H21ClFN5O2/c1-18(2,3)22-17(27)24-6-7-25-13(9-24)14(16(21)26)15(23-25)10-4-5-12(20)11(19)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,21,26)(H,22,27)","","2023-04-11","2024-04-05","~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide","2024-04-10"],["6VF","(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol","C10 H15 N O3","N[CH](Cc1ccc(O)cc1)[CH](O)CO;c1cc(ccc1CC(C(CO)O)N)O","InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1","","2016-07-06","2024-09-27","(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol","2016-08-17"],["S94","4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide","C21 H24 N2 O2","O=C(NC2CC2c1ccccc1)N4CCC(Oc3ccccc3)CC4;O=C(N[CH]1C[CH]1c2ccccc2)N3CC[CH](CC3)Oc4ccccc4;c1ccc(cc1)C2CC2NC(=O)N3CCC(CC3)Oc4ccccc4","InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1","","2014-12-16","2015-04-03","4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide","2015-04-08"],["6VG","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate","C13 H25 N2 O8 P S","CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1","","2016-07-05","2024-09-27","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate","2016-08-31"],["S95","isoquinoline-5-sulfonic acid","C9 H7 N O3 S","O[S](=O)(=O)c1cccc2cnccc12;c1cc2cnccc2c(c1)S(=O)(=O)O","InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)","","2020-11-12","2021-11-19","isoquinoline-5-sulfonic acid","2021-11-24"],["6VH","(1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C32 H40 F6 O4","CC(C)(O)C#CC[CH](CC#CC(O)(C(F)(F)F)C(F)(F)F)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C(CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C32H40F6O4/c1-20-23(18-24(39)19-27(20)40)12-11-22-9-6-16-29(4)25(13-14-26(22)29)21(8-5-15-28(2,3)41)10-7-17-30(42,31(33,34)35)32(36,37)38/h11-12,21,24-27,39-42H,1,6,8-10,13-14,16,18-19H2,2-4H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,29-/m1/s1","","2016-07-06","2016-10-14","(1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2016-10-19"],["6VJ","Phenyl-trisulfonatocalix[4]arene","C34 H28 O13 S3","Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)c6ccccc6)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O;c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O","InChI=1S/C34H28O13S3/c35-31-20-6-19(18-4-2-1-3-5-18)7-21(31)9-23-13-29(49(42,43)44)15-25(33(23)37)11-27-17-30(50(45,46)47)16-26(34(27)38)10-24-14-28(48(39,40)41)12-22(8-20)32(24)36/h1-7,12-17,35-38H,8-11H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)","","2016-07-05","2017-07-07","","2017-07-12"],["S96","(7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine","C15 H18 N3 O13 P3 S","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)n1cnc2c(ccnc21)c1cccs1;O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O)n2cnc3c(ccnc23)c4sccc4;c1cc(sc1)c2ccnc3c2ncn3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C15H18N3O13P3S/c19-12-9(6-28-33(24,25)31-34(26,27)30-32(21,22)23)29-15(13(12)20)18-7-17-11-8(3-4-16-14(11)18)10-2-1-5-35-10/h1-5,7,9,12-13,15,19-20H,6H2,(H,24,25)(H,26,27)(H2,21,22,23)/t9-,12-,13-,15-/m1/s1","","2022-06-27","2023-01-27","(7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine","2023-02-01"],["S97","6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine","C24 H27 N5","n1c(ccc2c1ncc2)CCc3cc(cc(c3)CN)CCc4nc(N)cc(c4)C;Cc1cc(N)nc(CCc2cc(CN)cc(CCc3ccc4cc[nH]c4n3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3","InChI=1S/C24H27N5/c1-16-10-22(28-23(26)11-16)6-3-18-12-17(13-19(14-18)15-25)2-5-21-7-4-20-8-9-27-24(20)29-21/h4,7-14H,2-3,5-6,15,25H2,1H3,(H2,26,28)(H,27,29)","","2014-10-23","2015-01-09","6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine","2015-01-14"],["6VK","(4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one","C22 H25 N3 O","CC1(C)CC(=O)C2=C(C1)Nc3n[nH]c(C4CC4)c3[C]2(C)c5ccccc5;CC1(CC2=C(C(=O)C1)C(c3c([nH]nc3N2)C4CC4)(C)c5ccccc5)C","InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1","","2016-07-05","2018-03-09","(4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one","2018-03-14"],["S98","6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C14 H12 N6 O S","O=C1c2cc3nc(nc3cc2N=C(N)N1)NCc4sccc4;NC1=Nc2cc3nc(NCc4sccc4)[nH]c3cc2C(=O)N1;c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N","InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)","1-(2-thienyl)methyl-2-amino-lin-Benzogunaine","2008-01-31","2020-06-17","6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["6VL","(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one","C20 H23 N3 O","CC[C]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4;CCC1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4","InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1","","2016-07-05","2018-03-09","(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one","2018-03-14"],["S99","7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol","C21 H24 N2 O3","n3c(c1nc(oc1)C(O)(O)CCCCCCc2ccccc2)cccc3;OC(O)(CCCCCCc1ccccc1)c2occ(n2)c3ccccn3;c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O","InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-19(16-26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2","","2009-05-19","2024-09-27","7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol",""],["6VM","(4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one","C24 H31 N3 O","CC(C)(C)Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C](C)(c4ccccc4)c12;CC1(CC2=C(C(=O)C1)C(c3c([nH]nc3N2)CC(C)(C)C)(C)c4ccccc4)C","InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1","","2016-07-05","2018-03-09","(4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one","2018-03-14"],["S9A","~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide","C23 H29 N7 O2","CC(C)OC1CN(C1)C(=O)NCc2ccc(cc2C)c3ccnc(Nc4cnn(C)c4)n3;Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C","InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)","","2020-03-06","2020-12-11","~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide","2020-12-16"],["6VN","2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid","C26 H33 N3 O2","C[CH]1C[CH](CC(C)(C)C1)n2c(Nc3ccc(cc3)C(C)C)nc4cc(ccc24)C(O)=O;CC1CC(CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O","InChI=1S/C26H33N3O2/c1-16(2)18-6-9-20(10-7-18)27-25-28-22-13-19(24(30)31)8-11-23(22)29(25)21-12-17(3)14-26(4,5)15-21/h6-11,13,16-17,21H,12,14-15H2,1-5H3,(H,27,28)(H,30,31)/t17-,21+/m1/s1","","2016-07-07","2017-02-03","2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid","2017-02-08"],["S9B","isoquinoline-5-carboxylic acid","C10 H7 N O2","OC(=O)c1cccc2cnccc12;c1cc2cnccc2c(c1)C(=O)O","InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13)","","2020-11-12","2021-11-19","isoquinoline-5-carboxylic acid","2021-11-24"],["6VO","(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol","C9 H21 N O2","CC(C)C[CH](N)[CH](O)C(C)(C)O;CC(C)CC(C(C(C)(C)O)O)N","InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1","","2016-07-07","2024-09-27","(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol","2016-08-17"],["S9C","7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole","C16 H10 F N3","Fc1ccc(cn1)c2ccc3c([nH]c4ccncc34)c2;c1cc2c(cc1c3ccc(nc3)F)[nH]c4c2cncc4","InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H","","2022-12-14","2023-01-06","7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole","2023-01-11"],["6VP","5-nitro-2-oxidanyl-benzenecarbonitrile","C7 H4 N2 O3","Oc1ccc(cc1C#N)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C#N)O","InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H","2-hydroxy-5-nitrobenzonitrile","2016-07-05","2021-03-01","5-nitro-2-oxidanyl-benzenecarbonitrile","2016-09-07"],["S9D","2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine","C13 H14 N4 O","C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2;c1cnc(nc1)Oc2ccc(cc2)C3CCNN3","InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1","","2020-03-06","2020-04-17","2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine","2020-04-22"],["6VQ","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate","C22 H34 N10 O19 P4 S2","C[n+]1cn([CH]2O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(=O)O[P](S)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c[n+](C)c5C(=O)N=C(N)Nc45)[CH](O)[CH]2O)c6NC(=NC(=O)c16)N;C[n+]1cn(c2c1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)OP(=O)(OCC4C(C(C(O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O","InChI=1S/C22H32N10O19P4S2/c1-29-5-31(15-9(29)17(37)27-21(23)25-15)19-13(35)11(33)7(47-19)3-45-54(43,56)50-52(39,40)49-53(41,42)51-55(44,57)46-4-8-12(34)14(36)20(48-8)32-6-30(2)10-16(32)26-22(24)28-18(10)38/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H8-2,23,24,25,26,27,28,37,38,39,40,41,42,43,44,56,57)/p+2/t7-,8-,11-,12-,13-,14-,19-,20-,54-,55-/m1/s1","","2016-07-06","2016-09-30","[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate","2016-10-05"],["S9E","6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde","C9 H6 Br N3 O","Brc1nccn1c2ccc(C=O)cn2;c1cc(ncc1C=O)n2ccnc2Br","InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H","","2020-11-12","2024-09-27","6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde","2021-06-09"],["6VR","2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide","C23 H35 N5 O2","CC(C)CN([CH]1CCCNC1)C(=O)c2cnc(nc2NCc3occc3)C(C)(C)C;CC(C)CN(C1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C","InChI=1S/C23H35N5O2/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27)/t17-/m0/s1","","2016-07-06","2016-10-28","2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide","2016-11-02"],["S9F","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H17 N5 O14 P3","NC1=NC(=O)[N-]2=C(N1)N(C=C2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;C1=CN(C2=[N-]1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H17N5O14P3/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4-7,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,12,13,18)/q-1/t4-,5-,6-,7-/m1/s1","","2023-08-24","2024-01-19","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3,5,7-triaza-1-azanuidabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-01-24"],["6VS","2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide","C27 H46 N6 O4","COCCCNc1nc(ncc1C(=O)N(CC(C)C)[CH]2CNC[CH](C2)C(=O)N3CCOCC3)C(C)(C)C;CC(C)CN(C1CC(CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C","InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1","","2016-07-06","2016-11-11","2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide","2016-11-16"],["6VT","6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid","C19 H16 Cl N O3","OC(=O)c1c[nH]c2cc(Cl)c(cc12)c3ccc(cc3)C4(O)CCC4;c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O","InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)","","2016-07-06","2016-08-12","6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid","2016-08-17"],["S9G","cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone","C13 H20 N2 O3","O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3;C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3CC3","InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1","","2020-03-06","2020-04-17","cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone","2020-04-22"],["S9H","7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one","C21 H20 N4 O2","COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1;COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4","InChI=1S/C21H20N4O2/c1-27-17-8-6-16(7-9-17)23-21-22-12-11-19(25-21)15-5-10-18-14(13-15)3-2-4-20(26)24-18/h5-13H,2-4H2,1H3,(H,24,26)(H,22,23,25)","","2020-11-12","2021-01-08","7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one","2021-01-13"],["6VU","1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide","C27 H41 N5 O4","COCCCCn1c2ccccc2nc1C(=O)N(CC(C)C)[CH]3CNC[CH](C3)C(=O)N4CCOCC4;CC(C)CN(C1CC(CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC","InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1","","2016-07-06","2017-06-30","1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide","2017-07-05"],["S9I","2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine","C19 H22 N6 O S","Cc1ccc(nc1)C1CC1COc1cc(nc(C)n1)NCc1nnc(C)s1;Cc1ccc(nc1)[CH]2C[CH]2COc3cc(NCc4sc(C)nn4)nc(C)n3;Cc1ccc(nc1)C2CC2COc3cc(nc(n3)C)NCc4nnc(s4)C","InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1","","2022-06-29","2023-02-03","2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine","2023-02-08"],["6VV","(1~{R},2~{R})-cyclopentane-1,2-diol","C5 H10 O2","O[CH]1CCC[CH]1O;C1CC(C(C1)O)O","InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1","","2016-07-08","2017-07-07","(1~{R},2~{R})-cyclopentane-1,2-diol","2017-07-12"],["S9J","2-(2-methoxyphenoxy)ethanehydrazide","C9 H12 N2 O3","COc1ccccc1OCC(=O)NN;COc1ccccc1OCC(=O)NN","InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)","","2020-03-06","2020-04-17","2-(2-methoxyphenoxy)ethanehydrazide","2020-04-22"],["6VW","(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop\nenta[a]phenanthren-3-one","C18 H26 O2","C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O;CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34","InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1","19-nortestosterone","2016-07-06","2020-06-17","(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one","2016-09-07"],["S9K","7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one","C20 H18 N4 O","O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3;c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4","InChI=1S/C20H18N4O/c25-19-8-4-5-14-13-15(9-10-17(14)23-19)18-11-12-21-20(24-18)22-16-6-2-1-3-7-16/h1-3,6-7,9-13H,4-5,8H2,(H,23,25)(H,21,22,24)","","2020-11-12","2021-01-08","7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one","2021-01-13"],["6VX","(1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid","C15 H12 N2 O4 S2","O[S](=O)(=O)[CH](C(=O)Nc1sc2ccccc2n1)c3ccccc3;c1ccc(cc1)C(C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O","InChI=1S/C15H12N2O4S2/c18-14(13(23(19,20)21)10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)22-15/h1-9,13H,(H,16,17,18)(H,19,20,21)/t13-/m0/s1","","2016-07-07","2016-10-07","(1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid","2016-10-12"],["6VY","(1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid","C14 H13 N O4 S","O[S](=O)(=O)[CH](C(=O)Nc1ccccc1)c2ccccc2;c1ccc(cc1)C(C(=O)Nc2ccccc2)S(=O)(=O)O","InChI=1S/C14H13NO4S/c16-14(15-12-9-5-2-6-10-12)13(20(17,18)19)11-7-3-1-4-8-11/h1-10,13H,(H,15,16)(H,17,18,19)/t13-/m0/s1","","2016-07-07","2016-10-07","(1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid","2016-10-12"],["S9L","2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE","C6 H15 O7 P","O=P(OCCOCCOCCO)(O)O;OCCOCCOCCO[P](O)(O)=O;C(COCCOCCOP(=O)(O)O)O","InChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)","","2006-11-16","2011-06-04","2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate",""],["S9M","2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol","C9 H10 F2 N2 O","C2(c1c(O)c(cc(c1)F)F)NNCC2;Oc1c(F)cc(F)cc1[CH]2CCNN2;c1c(cc(c(c1C2CCNN2)O)F)F","InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2","","2020-03-06","2020-04-17","2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol","2020-04-22"],["6VZ","(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide","C27 H36 N6 O4","CNC(=O)[CH]1C[CH](CN1C(=O)c2ccc(CN)c(OC)c2)N3CCc4c(C3)ncnc4OCCC5CC5;CNC(=O)C1CC(CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3","InChI=1S/C27H36N6O4/c1-29-25(34)23-12-20(14-33(23)27(35)18-5-6-19(13-28)24(11-18)36-2)32-9-7-21-22(15-32)30-16-31-26(21)37-10-8-17-3-4-17/h5-6,11,16-17,20,23H,3-4,7-10,12-15,28H2,1-2H3,(H,29,34)/t20-,23-/m0/s1","","2016-07-08","2016-08-05","(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide","2016-08-10"],["S9N","3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid","C11 H9 F N2 O4 S","N[S](=O)(=O)n1ccc(c2ccc(F)cc2)c1C(O)=O;c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F","InChI=1S/C11H9FN2O4S/c12-8-3-1-7(2-4-8)9-5-6-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18)","","2020-11-12","2021-05-07","3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid","2021-05-12"],["997","1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE","C31 H42 N4 O4","O=C(N4C(C(=O)NC2c1ccccc1CCC2)CC(Oc3ccccc3)C4)C(NC(=O)C(NC)C)C(C)(C)C;CN[CH](C)C(=O)N[CH](C(=O)N1C[CH](C[CH]1C(=O)N[CH]2CCCc3ccccc23)Oc4ccccc4)C(C)(C)C;CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC","InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1","N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE","2004-06-24","2021-03-13","N-methyl-L-alanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide",""],["S9P","2-methyl-1,3-benzoxazol-6-ol","C8 H7 N O2","Cc1oc2cc(O)ccc2n1;Cc1nc2ccc(cc2o1)O","InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3","","2020-03-06","2020-04-17","2-methyl-1,3-benzoxazol-6-ol","2020-04-22"],["998","N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE","C25 H38 N4 O3","O=C(NC2c1ccccc1CCC2)C3N(C(=O)C(NC(=O)C(NC)C)C(C)(C)C)CCC3;CN[CH](C)C(=O)N[CH](C(=O)N1CCC[CH]1C(=O)N[CH]2CCCc3ccccc23)C(C)(C)C;CC(C(=O)NC(C(=O)N1CCCC1C(=O)NC2CCCc3c2cccc3)C(C)(C)C)NC","InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1","1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-PYRROLIDINE-2-CARBOXYLIC\nACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE","2004-06-22","2020-06-17","N-methyl-L-alanyl-3-methyl-L-valyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide",""],["S9Q","5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one","C16 H14 Cl F3 N4 O2","FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3;c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F","InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)","","2020-11-13","2020-12-04","5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one","2020-12-09"],["999","(3S)-3-hydroxy-D-aspartic acid","C4 H7 N O5","O=C(O)C(O)C(C(=O)O)N;N[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)N","InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1","","2014-01-31","2015-01-23","(3S)-3-hydroxy-D-aspartic acid","2015-01-28"],["S9R","[(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate","C6 H14 O8 P2","CCC(CO)=CCO[P](O)(=O)O[P](O)(O)=O;CCC(=CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C6H14O8P2/c1-2-6(5-7)3-4-13-16(11,12)14-15(8,9)10/h3,7H,2,4-5H2,1H3,(H,11,12)(H2,8,9,10)/b6-3+","","2023-04-11","2023-09-08","[(~{E})-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate","2023-09-13"],["99A","N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide","C30 H33 N5 O3","O=C(N)c1c(cc(c(c1)C)C(=O)NC5CC4N(c3ncc(C(=O)NCc2ccccc2)cc3)C(CC4)C5)C;Cc1cc(c(C)cc1C(N)=O)C(=O)NC2C[CH]3CC[CH](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5;Cc1cc(c(cc1C(=O)NC2CC3CCC(C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N","InChI=1S/C30H33N5O3/c1-18-13-26(19(2)12-25(18)28(31)36)30(38)34-22-14-23-9-10-24(15-22)35(23)27-11-8-21(17-32-27)29(37)33-16-20-6-4-3-5-7-20/h3-8,11-13,17,22-24H,9-10,14-16H2,1-2H3,(H2,31,36)(H,33,37)(H,34,38)/t22-,23+,24-","","2012-06-05","2014-09-05","N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide","2012-08-24"],["S9S","~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide","C9 H12 F N O2 S","C[S](=O)(=O)NCCc1ccc(F)cc1;CS(=O)(=O)NCCc1ccc(cc1)F","InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3","","2020-03-06","2020-04-17","~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide","2020-04-22"],["99B","5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide","C29 H37 N5 O3","O=C(N)c1c(NC(C)CC)cc(c(c1)C)C(=O)NC5CC4N(c3ncc(C(=O)C2CC2)cc3)C(CC4)C5;CC[CH](C)Nc1cc(c(C)cc1C(N)=O)C(=O)NC2C[CH]3CC[CH](C2)N3c4ccc(cn4)C(=O)C5CC5;CCC(C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2CC3CCC(C2)N3c4ccc(cn4)C(=O)C5CC5","InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21+,22-/m1/s1","","2012-06-06","2012-08-24","N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methyl-5-{[(1R)-1-methylpropyl]amino}benzene-1,4-dicarboxamide","2012-08-24"],["S9T","(1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","C20 H25 N O4","COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC;COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)OC","InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1","S-Tetrahydropapaverine","2016-07-11","2020-06-17","(1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","2016-09-07"],["99C","(2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate","C12 H18 O8 P2","OC/C(Cc1ccc(C)cc1)=C/COP(OP(O)(O)=O)(O)=O;Cc1ccc(CC(CO)=CCO[P](O)(=O)O[P](O)(O)=O)cc1;Cc1ccc(cc1)CC(=CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C12H18O8P2/c1-10-2-4-11(5-3-10)8-12(9-13)6-7-19-22(17,18)20-21(14,15)16/h2-6,13H,7-9H2,1H3,(H,17,18)(H2,14,15,16)/b12-6+","","2018-02-06","2019-03-29","(2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate","2019-04-03"],["S9U","[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C25 H44 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2CC3CCCCC3","InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24-/m0/s1","","2022-06-29","2024-09-27","[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-07-06"],["99E","~{N}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","C21 H22 N2 O4","CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2c(O)ccc3cccc(O)c23;CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C","InChI=1S/C21H22N2O4/c1-4-14-18(12(3)24)11(2)23-20(14)21(27)22-10-15-16(25)9-8-13-6-5-7-17(26)19(13)15/h5-9,23,25-26H,4,10H2,1-3H3,(H,22,27)","","2017-04-28","2017-08-11","~{N}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","2017-08-16"],["S9V","1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea","C11 H15 Cl N2 O2","CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1;CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl","InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)","","2020-03-06","2020-04-17","1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea","2020-04-22"],["99I","(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide","C34 H39 F2 N5 O4","F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(C#Cc4ccc(CN5CCOCC5)cc4)c(F)c3)N(C2)C(=O)C6CC6;c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3F)C(=O)NCC4CC(CN4C(=O)C5CC5)NC(=O)C6CC(CN6)F","InChI=1S/C34H39F2N5O4/c35-27-16-31(37-18-27)33(43)39-28-17-29(41(21-28)34(44)25-8-9-25)19-38-32(42)26-10-7-24(30(36)15-26)6-5-22-1-3-23(4-2-22)20-40-11-13-45-14-12-40/h1-4,7,10,15,25,27-29,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t27-,28+,29+,31-/m0/s1","(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[3-fluoranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2021-11-11","2022-10-28","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[3-fluoranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-11-02"],["S9W","~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide","C25 H30 Br N3 O3","Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1;c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br","InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)","","2020-11-13","2024-09-27","~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide","2021-06-30"],["99J","6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C26 H27 F3 N8 O2","c5c(Nc2ncc1C(=O)N(CC=C)N(c1n2)c3nc(ccc3)C(O)C(F)(F)F)ccc(N4CCN(C)CC4)c5;CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)[CH](O)C(F)(F)F)c4n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)C(C(F)(F)F)O","InChI=1S/C26H27F3N8O2/c1-3-11-36-24(39)19-16-30-25(31-17-7-9-18(10-8-17)35-14-12-34(2)13-15-35)33-23(19)37(36)21-6-4-5-20(32-21)22(38)26(27,28)29/h3-10,16,22,38H,1,11-15H2,2H3,(H,30,31,33)/t22-/m0/s1","RAC-IV-016","2017-04-11","2021-03-01","6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2018-04-04"],["S9X","2-azanyl-2-butyl-hexanal","C10 H21 N O2","CCCCC(N)(CCCC)C(O)=O;CCCCC(CCCC)(C(=O)O)N","InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)","","2022-12-15","2024-09-27","2-azanyl-2-butyl-hexanoic acid","2023-10-11"],["99K","3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine","C11 H6 Cl F3 N4 O2","[O-][N+](=O)c1cccnc1Nc2ncc(cc2Cl)C(F)(F)F;c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-]","InChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18)","","2017-05-02","2024-09-27","3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine","2018-04-04"],["S9Y","2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","C18 H39 N O6 P","CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCC(=O)OC(C)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1","","2020-03-06","2020-03-13","2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","2020-03-18"],["99L","1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one","C18 H20 N2 O4 S","CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O","InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1","","2018-02-07","2019-02-01","1-ethyl-6-[(3~{R})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one","2019-02-06"],["99M","1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo\n[3,4-d]pyrimidin-3-one","C26 H29 N7 O3","c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4ccc(cc4)N5CCOCC5)CC=C)C(C)(O)C;CC(C)(O)c1cccc(n1)N2N(CC=C)C(=O)c3cnc(Nc4ccc(cc4)N5CCOCC5)nc23;CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O","InChI=1S/C26H29N7O3/c1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35/h4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30)","RAC-IV-050","2017-04-11","2020-06-17","1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2018-04-04"],["S9Z","~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide","C25 H30 Br N3 O3","CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3;CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br","InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)","","2020-11-13","2024-09-27","~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide","2021-06-30"],["SA0","2-(hydroxymethyl)phenyl beta-D-glucopyranoside","C13 H18 O7","O(c1c(cccc1)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](Oc2ccccc2CO)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)CO)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1","Salicin; 2-(hydroxymethyl)phenyl beta-D-glucoside; 2-(hydroxymethyl)phenyl D-glucoside; 2-(hydroxymethyl)phenyl\nglucoside","2011-10-14","2020-07-17","2-(hydroxymethyl)phenyl beta-D-glucopyranoside",""],["99N","[(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate","C37 H56 N2 O7 S","C[CH](CCC(=O)NCc1ccc(OCCN2CCOCC2)cc1)[CH]3CC[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]34C)O[S](O)(=O)=O;CC(CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)C3CCC4C3(CCC5C4CC=C6C5(CCC(C6)OS(=O)(=O)O)C)C","InChI=1S/C37H56N2O7S/c1-26(4-13-35(40)38-25-27-5-8-29(9-6-27)45-23-20-39-18-21-44-22-19-39)32-11-12-33-31-10-7-28-24-30(46-47(41,42)43)14-16-36(28,2)34(31)15-17-37(32,33)3/h5-9,26,30-34H,4,10-25H2,1-3H3,(H,38,40)(H,41,42,43)/t26-,30+,31+,32-,33+,34+,36+,37-/m1/s1","","2017-05-02","2017-06-16","[(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate","2017-06-21"],["SA1","(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE","C15 H21 N O4","O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3;C[C]12OCC[CH]1C(=O)N[C]2(C=O)[CH](O)[CH]3CCCC=C3;CC12C(CCO1)C(=O)NC2(C=O)C(C3CCCC=C3)O","InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1","Salinosporamide A, bound form","2005-12-29","2024-09-27","(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde",""],["99O","1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one","C18 H20 N2 O4 S","CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O","InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m0/s1","","2018-02-07","2019-02-01","1-ethyl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one","2019-02-06"],["99P","D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide","C20 H24 N4 O2","O=C(NCc1cccnc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cccnc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cccnc3)N","InChI=1S/C20H24N4O2/c21-17(12-15-6-2-1-3-7-15)20(26)24-11-5-9-18(24)19(25)23-14-16-8-4-10-22-13-16/h1-4,6-8,10,13,17-18H,5,9,11-12,14,21H2,(H,23,25)/t17-,18+/m1/s1","","2010-10-19","2012-09-12","D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide",""],["SA2","(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE","C13 H19 N O9 S","O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O;C[C](COC(=O)CCCC(O)=O)([CH](NC=CC=O)C(O)=O)[S](O)=O;CC(COC(=O)CCCC(=O)O)(C(C(=O)O)NC=CC=O)S(=O)O","InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1","4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID","2006-06-09","2024-09-27","(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine",""],["99R","6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one","C18 H21 N3 O3 S","CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)N","InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1","","2018-02-07","2019-02-01","6-[(3~{S})-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one","2019-02-06"],["SA3","2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE","C26 H21 N3 O9","O=C2c1c6c(c4c(c1C(=O)N2)c3ccc(O)cc3n4)n(c5cc(O)ccc56)C7OC(C(O)C(O)C7O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2c3cc(O)ccc3c4c2c5[nH]c6cc(O)ccc6c5c7C(=O)NC(=O)c47;c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7C(C(C(C(O7)CO)O)O)O)C(=O)NC4=O","InChI=1S/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)/t14-,21-,22+,23-,26?/m1/s1","","2004-05-25","2011-06-04","12-alpha-D-glucopyranosyl-2,10-dihydroxy-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione",""],["SA6","(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde","C15 H23 N O4","O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2;CC[CH]1C(=O)N[C](C=O)([CH](O)[CH]2CCCC=C2)[C]1(C)O;CCC1C(=O)NC(C1(C)O)(C=O)C(C2CCCC=C2)O","InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1","","2010-04-20","2024-09-27","(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde",""],["99S","methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate","C24 H21 N5 O3 S","N#CC2=C(Oc1nnc(c1C2(c4cc(C#N)cc(c3sc(C(=O)OC)cc3)c4)C(C)C)C)N;COC(=O)c1sc(cc1)c2cc(cc(c2)[C]3(C(C)C)C(=C(N)Oc4n[nH]c(C)c34)C#N)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N","InChI=1S/C24H21N5O3S/c1-12(2)24(17(11-26)21(27)32-22-20(24)13(3)28-29-22)16-8-14(10-25)7-15(9-16)18-5-6-19(33-18)23(30)31-4/h5-9,12H,27H2,1-4H3,(H,28,29)/t24-/m0/s1","","2014-06-09","2015-03-20","methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate","2015-03-25"],["SA8","S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE","C15 H23 N7 O5","O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1","5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE","2005-03-16","2020-06-17","5'-{[(3S)-3-amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine",""],["99T","L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine","C13 H21 N3 O8 S","O=C(NC(C(=O)NCC(=O)O)CSCCC(=O)O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSCCC(O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSCCC(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C13H21N3O8S/c14-7(13(23)24)1-2-9(17)16-8(6-25-4-3-10(18)19)12(22)15-5-11(20)21/h7-8H,1-6,14H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1","S-(propanoic acid)glutathione","2013-01-03","2020-06-17","L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine","2013-02-15"],["SA9","2-(hydroxymethyl)phenol","C7 H8 O2","OCc1ccccc1O;OCc1ccccc1O;c1ccc(c(c1)CO)O","InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2","","2011-10-20","2012-06-29","2-(hydroxymethyl)phenol",""],["99U","1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one","C17 H18 N2 O3 S","CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4","InChI=1S/C17H18N2O3S/c1-2-19-14-8-9-15(23(21,22)18-10-3-4-11-18)12-6-5-7-13(16(12)14)17(19)20/h5-9H,2-4,10-11H2,1H3","","2018-02-07","2019-02-01","1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one","2019-02-06"],["SAA","(S)-ATROLACTIC ACID","C9 H10 O3","O=C(O)C(O)(c1ccccc1)C;C[C](O)(C(O)=O)c1ccccc1;CC(c1ccccc1)(C(=O)O)O","InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1/f/h10H","(S)-2-HYDROXY-2-PHENYLPROPIONIC ACID;(S)-ALPHA-METHYLMANDELIC ACID","1999-07-08","2008-10-14","(2S)-2-hydroxy-2-phenylpropanoic acid",""],["99V","6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C27 H31 F N8 O2","c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4cc(F)c(cc4)N5CCN(C)CC5)CC=C)C(O)(C)C;CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2F;CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O","InChI=1S/C27H31FN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32)","","2017-04-11","2018-03-29","6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2018-04-04"],["SAB","4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE","C11 H17 N3 O3 S","O=S(=O)(N)c1ccc(C(=O)NCCCCN)cc1;NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N","InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)","","1999-07-08","2011-06-04","N-(4-aminobutyl)-4-sulfamoylbenzamide",""],["99W","(S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide","C21 H28 F3 N5 O3","Fc1cc(F)cc(F)c1NCC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N;CC(C)C[CH](NC(=O)CNc1c(F)cc(F)cc1F)C(=O)N[CH](C[CH]2CCNC2=O)C=N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=N)NC(=O)CNc2c(cc(cc2F)F)F","InChI=1S/C21H28F3N5O3/c1-11(2)5-17(21(32)28-14(9-25)6-12-3-4-26-20(12)31)29-18(30)10-27-19-15(23)7-13(22)8-16(19)24/h7-9,11-12,14,17,25,27H,3-6,10H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)/b25-9-/t12-,14-,17-/m0/s1","N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2021-10-06","2024-09-27","N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2022-10-05"],["SAC","N-ACETYL-SERINE","C5 H9 N O4","O=C(O)C(NC(=O)C)CO;CC(=O)N[CH](CO)C(O)=O;CC(=O)NC(CO)C(=O)O","InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1","","1999-07-08","2024-09-27","N-acetyl-L-serine",""],["99X","1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one","C18 H20 N2 O4 S","CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4CO","InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1","","2018-02-07","2019-02-01","1-ethyl-6-[(2~{R})-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one","2019-02-06"],["SAD","BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE","C20 H27 N7 O13 P2 Se","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC5OC(c4nc(c[se]4)C(=O)N)C(O)C5O;NC(=O)c1c[se]c(n1)[CH]2O[CH](CO[P](O)(=O)C[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c(nc([se]1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N","InChI=1S/C20H27N7O13P2Se/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12+,13+,14+,15-,20-/m1/s1","","1999-07-08","2011-06-04","[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name)",""],["99Y","4-carboxy-D-phenylalanine","C10 H11 N O4","C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O;N[CH](Cc1ccc(cc1)C(O)=O)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(=O)O","InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1","","2017-04-11","2024-09-27","4-carboxy-D-phenylalanine","2017-11-15"],["SAE","SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE","C19 H25 N7 O14 P2 Se","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC5OC(c4nc(c[se]4)C(=O)N)C(O)C5O;NC(=O)c1c[se]c(n1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c(nc([se]1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N","InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["99Z","4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C17 H16 N4 O3 S2","O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2C)N)cc3;Cc1ccccc1C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N;Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)","","2011-07-07","2012-10-26","4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["SAF","3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL","C10 H15 N O","Oc1cc(ccc1)C(N(C)C)C;C[CH](N(C)C)c1cccc(O)c1;CC(c1cccc(c1)O)N(C)C","InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1","","2001-12-04","2011-06-04","3-[(1S)-1-(dimethylamino)ethyl]phenol",""],["9A0","2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide","C26 H28 N2 O4 S","C(C(=O)Nc2ccc(C(C(=O)Nc1ccccc1)(C)C)cc2)c3ccc(cc3)S(=O)(CC)=O;CC[S](=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3","InChI=1S/C26H28N2O4S/c1-4-33(31,32)23-16-10-19(11-17-23)18-24(29)27-22-14-12-20(13-15-22)26(2,3)25(30)28-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,29)(H,28,30)","","2018-02-08","2018-10-26","2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide","2018-10-31"],["SAG","(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]","C17 H17 F N2 O2","O=C(N)C(/N=C/c2ccc(OCc1cccc(F)c1)cc2)C;C[CH](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O;CC(C(=O)N)N=Cc1ccc(cc1)OCc2cccc(c2)F","InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/b20-10+/t12-/m0/s1","SAFINAMIDE","2007-07-12","2020-06-17","(E)-N~2~-({4-[(3-fluorobenzyl)oxy]phenyl}methylidene)-L-alaninamide",""],["9A1","(4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide","C27 H29 F N4 O3 S","F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3sc(cc3)C#Cc4ccccc4)N(C2)C(=O)C5CC5;c1ccc(cc1)C#Cc2ccc(s2)C(=O)NCC3CC(CN3C(=O)C4CC4)NC(=O)C5CC(CN5)F","InChI=1S/C27H29FN4O3S/c28-19-12-23(29-14-19)25(33)31-20-13-21(32(16-20)27(35)18-7-8-18)15-30-26(34)24-11-10-22(36-24)9-6-17-4-2-1-3-5-17/h1-5,10-11,18-21,23,29H,7-8,12-16H2,(H,30,34)(H,31,33)/t19-,20+,21+,23-/m0/s1","(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[5-(2-phenylethynyl)thiophen-2-yl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2021-11-11","2022-10-28","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[5-(2-phenylethynyl)thiophen-2-yl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-11-02"],["SAH","S-ADENOSYL-L-HOMOCYSTEINE","C14 H20 N6 O5 S","O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N","InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1","","1999-07-08","2024-09-16","(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",""],["9A2","(6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C28 H35 F3 N4 O3","CC[CH](C)[CH]1N2[CH](CN([CH](C)c3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC(F)(F)F)C(C)c3cccc4c3cccc4","InChI=1S/C28H35F3N4O3/c1-4-18(2)25-26(37)34(19(3)21-12-7-10-20-9-5-6-11-22(20)21)17-23-33(16-13-24(36)35(23)25)27(38)32-15-8-14-28(29,30)31/h5-7,9-12,18-19,23,25H,4,8,13-17H2,1-3H3,(H,32,38)/t18-,19+,23-,25+/m1/s1","","2022-01-13","2022-11-11","(6~{S},9~{a}~{S})-6-[(2~{R})-butan-2-yl]-8-[(1~{S})-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2022-11-16"],["SAI","S-ADENOSYL-L-HOMOSELENOCYSTEINE","C14 H20 N6 O5 Se","O=C(O)C(N)CC[Se]CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC[Se]C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C[Se]CCC(C(=O)O)N)O)O)N","InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1","","2001-05-16","2011-06-04","5'-Se-[(3S)-3-amino-3-carboxypropyl]-5'-selenoadenosine",""],["9A3","(2S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2H)-one","C27 H20 F3 N3 O4","c5(CC=2C1=NC(C(N1C=C(N=2)c3ccc(cc3)O)=O)(OO)Cc4ccc(cc4)C(F)(F)F)ccccc5;OO[C]1(Cc2ccc(cc2)C(F)(F)F)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C1=O;c1ccc(cc1)CC2=NC(=CN3C2=NC(C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O","InChI=1S/C27H20F3N3O4/c28-27(29,30)20-10-6-18(7-11-20)15-26(37-36)25(35)33-16-23(19-8-12-21(34)13-9-19)31-22(24(33)32-26)14-17-4-2-1-3-5-17/h1-13,16,34,36H,14-15H2/t26-/m0/s1","","2018-02-09","2018-06-01","(2S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2H)-one","2018-06-06"],["SAJ","(2S,3S,4R,5S,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid","C17 H25 N3 O18 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O","InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1","","2014-08-14","2015-10-09","(2S,3S,4R,5S,6R)-5-(acetylamino)-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)","2015-10-14"],["9A4","(2Z)-but-2-en-1-ol","C4 H8 O","OC[C@H]=CC;CC=CCO;CC=CCO","InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-","","2017-04-12","2017-07-21","(2Z)-but-2-en-1-ol","2017-07-26"],["SAK","(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one","C16 H14 O5","O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O;COc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)cc3;COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O","InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1","sakuranetin","2008-05-12","2020-06-17","(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one",""],["9A5","(2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide","C30 H36 Cl N5 O","N[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc3c4CCCCc4nc5cc(Cl)ccc35;c1ccc2c(c1)c(c[nH]2)CC(C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N","InChI=1S/C30H36ClN5O/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37)/t25-/m0/s1","","2017-05-02","2018-05-25","(2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide","2018-05-30"],["9A6","7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine","C25 H27 N7","CN1CCN(CC1)c3cc4nc([C@H]=Cc2ccccc2)nc(c4cc3)Nc5cc(nn5)C;CN1CCN(CC1)c2ccc3c(Nc4cc(C)[nH]n4)nc(C=Cc5ccccc5)nc3c2;Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)C=Cc4ccccc4)N5CCN(CC5)C","InChI=1S/C25H27N7/c1-18-16-24(30-29-18)28-25-21-10-9-20(32-14-12-31(2)13-15-32)17-22(21)26-23(27-25)11-8-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b11-8+","","2018-02-13","2019-02-08","7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine","2019-02-13"],["SAL","2-HYDROXYBENZOIC ACID","C7 H6 O3","O=C(O)c1ccccc1O;OC(=O)c1ccccc1O;c1ccc(c(c1)C(=O)O)O","InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)","SALICYLIC ACID","1999-07-08","2024-09-27","2-hydroxybenzoic acid",""],["SAM","S-ADENOSYLMETHIONINE","C15 H22 N6 O5 S","[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)",""],["9A7","(2E)-but-2-en-1-ol","C4 H8 O","OC[C@H]=[C@H]C;CC=CCO;CC=CCO","InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+","","2017-04-12","2017-07-21","(2E)-but-2-en-1-ol","2017-07-26"],["SAN","SULFANILAMIDE","C6 H8 N2 O2 S","O=S(=O)(c1ccc(N)cc1)N;Nc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1N)S(=O)(=O)N","InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)","","1999-07-08","2011-06-04","4-aminobenzenesulfonamide",""],["9A8","2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one","C17 H16 N2 O2","CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20)","","2017-05-02","2018-03-09","2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one","2018-03-14"],["SAO","5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine","C14 H21 N6 O5 S","[NH3+]C(C(O)=O)CCSCC1OC(C(C1O)O)n2cnc3c2ncnc3N;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCC[CH]([NH3+])C(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)[NH3+])O)O)N","InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/p+1/t6-,7+,9+,10+,13+/m0/s1","S-ADENOSYL-L-HOMOCYSTEINE","2016-04-08","2024-09-18","5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine","2017-03-15"],["9A9","N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide","C14 H21 N3 O3","O=C(NCCN(C)CCCC(=O)NO)c1ccccc1;CN(CCCC(=O)NO)CCNC(=O)c1ccccc1;CN(CCCC(=O)NO)CCNC(=O)c1ccccc1","InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18)","","2021-10-06","2022-09-30","N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide","2022-10-05"],["SAP","ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE","C10 H16 N5 O12 P3 S","O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N","InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2013-02-04","5'-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine",""],["9AA","(5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one","C12 H14 N2 O4 S","c1cc(cc(c1CC2(C(NC(=S)N2)=O)O)OC)OC;COc1ccc(C[C]2(O)NC(=S)NC2=O)c(OC)c1;COc1ccc(c(c1)OC)CC2(C(=O)NC(=S)N2)O","InChI=1S/C12H14N2O4S/c1-17-8-4-3-7(9(5-8)18-2)6-12(16)10(15)13-11(19)14-12/h3-5,16H,6H2,1-2H3,(H2,13,14,15,19)/t12-/m0/s1","","2017-04-13","2017-08-25","(5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one","2017-08-30"],["SAQ","2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C14 H11 N5 O S","O=C1c2cc3nc(nc3cc2N=CN1)NCc4sccc4;O=C1NC=Nc2cc3nc(NCc4sccc4)[nH]c3cc12;c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O","InChI=1S/C14H11N5OS/c20-13-9-4-11-12(5-10(9)16-7-17-13)19-14(18-11)15-6-8-2-1-3-21-8/h1-5,7H,6H2,(H2,15,18,19)(H,16,17,20)","2-[(2-Thienylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2009-03-04","2021-03-13","2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["9AB","8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid","C15 H16 Br4 N2 O2","OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12;c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br","InChI=1S/C15H16Br4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)","","2017-05-03","2024-09-27","8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid","2020-01-29"],["SAR","SARCOSINE","C3 H7 N O2","O=C(O)CNC;CNCC(O)=O;CNCC(=O)O","InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)","","1999-07-08","2024-09-27","N-methylglycine",""],["9AC","9-ACRIDINECARBONYL","C14 H9 N O2","O=Cc1c3c(nc2c1cccc2)cccc3;OC(=O)c1c2ccccc2nc3ccccc13;c1ccc2c(c1)c(c3ccccc3n2)C(=O)O","InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)","9-ACRIDINOYL","2000-11-10","2024-09-27","acridine-9-carbaldehyde",""],["SAS","2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID","C18 H14 N4 O5 S","O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3;OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3;c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O","InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+","SULFASALAZINE","1999-07-08","2020-06-17","2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid",""],["9AD","9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE","C18 H20 N4 O","O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCN(C)C;CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12;CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N","InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)","","1999-07-08","2011-06-04","9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide",""],["SAT","sulfoacetic acid","C2 H4 O5 S","O=C(O)CS(=O)(=O)O;OC(=O)C[S](O)(=O)=O;C(C(=O)O)S(=O)(=O)O","InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)","","2007-10-18","2011-06-04","sulfoacetic acid",""],["9AE","(2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine","C11 H25 N","CC(C)CCC[CH](C)NC(C)C;CC(C)CCCC(C)NC(C)C","InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1","","2017-05-03","2018-05-25","(2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine","2018-05-30"],["SAU","13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium","C20 H14 N O4","O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C;C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14;C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6","InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1","Sanguinarine","2010-07-25","2020-06-17","13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium",""],["9AF","dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","C33 H42 N4 O6","C(C=1C(C(=C(C)NC=1C)C(OC)=O)c4cccc(NC(NCCCN2CCC(CC2)c3cccc(c3)OC)=O)c4)(=O)OC;COC(=O)C1=C(C)NC(=C(C1c2cccc(NC(=O)NCCCN3CCC(CC3)c4cccc(OC)c4)c2)C(=O)OC)C;CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC","InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40)","","2018-02-15","2018-04-20","dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","2018-04-25"],["SAV","N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine","C21 H22 N6 O3","O(c1cc(cc(OC)c1OC)Nc2nccc(n2)Nc3ccc4c(c3)nnc4C)C;COc1cc(Nc2nccc(Nc3ccc4c([nH]nc4C)c3)n2)cc(OC)c1OC;Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC","InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)","","2008-03-13","2011-06-04","N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",""],["9AG","N-methyl-1-(4-phenoxyphenyl)methanamine","C14 H15 N O","c2cccc(Oc1ccc(CNC)cc1)c2;CNCc1ccc(Oc2ccccc2)cc1;CNCc1ccc(cc1)Oc2ccccc2","InChI=1S/C14H15NO/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3","","2017-04-13","2017-12-22","N-methyl-1-(4-phenoxyphenyl)methanamine","2017-12-27"],["SAW","(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide","C31 H45 N3 O4 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)C34CC5CC(O)(C3)CC(C4)C5;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)[C]34C[CH]5[CH2][CH](C[C](O)(C5)C3)C4;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)(C4)O","InChI=1S/C31H45N3O4S/c1-34(2)27-13-9-12-26-25(27)11-10-14-28(26)39(37,38)33-16-8-6-4-3-5-7-15-32-29(35)30-18-23-17-24(19-30)21-31(36,20-23)22-30/h9-14,23-24,33,36H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,30+,31-","","2010-08-31","2011-06-04","(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["9AH","4-(dipropylamino)butanenitrile","C10 H20 N2","CCCN(CCC)CCCC#N;CCCN(CCC)CCCC#N","InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3","","2017-05-03","2018-05-25","4-(dipropylamino)butanenitrile","2018-05-30"],["SAX","2-(dodecyloxy)-6-hydroxybenzoic acid","C19 H30 O4","O=C(O)c1c(O)cccc1OCCCCCCCCCCCC;CCCCCCCCCCCCOc1cccc(O)c1C(O)=O;CCCCCCCCCCCCOc1cccc(c1C(=O)O)O","InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-14-12-13-16(20)18(17)19(21)22/h12-14,20H,2-11,15H2,1H3,(H,21,22)","","2011-06-17","2012-12-14","2-(dodecyloxy)-6-hydroxybenzoic acid","2012-12-14"],["9AI","N-prop-2-en-1-ylthioformamide","C4 H7 N S","S=CNCC=C;C=CCNC=S;C=CCNC=S","InChI=1S/C4H7NS/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)","","2013-12-17","2024-09-27","N-prop-2-en-1-ylthioformamide","2014-03-05"],["SAY","[(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate","C12 H15 O8 P","O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2;c1cc(c(cc1C2CC(C(O2)COP(=O)(O)O)O)O)C=O","InChI=1S/C12H15O8P/c13-5-8-2-1-7(3-9(8)14)11-4-10(15)12(20-11)6-19-21(16,17)18/h1-3,5,10-12,14-15H,4,6H2,(H2,16,17,18)/t10-,11+,12+/m0/s1","2'-DEOXY-1'-(3-HYDROXY-4-FORMYLPHENYL)RIBOSE-5'-MONOPHOSPHATE","2010-11-15","2021-03-01","[(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate",""],["9AJ","2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one","C37 H44 N8 O4","c7c1CC(C)(C)Cc1n8CCN(c6nccc(C=2C=C(C(=O)N(C=2)C)Nc5ncc(N3CCN(CC3C)C4COC4)cc5)c6CO)C(c78)=O;C[CH]1CN(CCN1c2ccc(NC3=CC(=CN(C)C3=O)c4ccnc(N5CCn6c7CC(C)(C)Cc7cc6C5=O)c4CO)nc2)C8COC8;CC1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8","InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1","","2017-04-14","2018-02-23","2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one","2018-02-28"],["SAZ","(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM","C14 H26 N","C1=C(C)CCC([NH+](C)CCC=C(/C)C)C1;C[NH+](CCC=C(C)C)[CH]1CCC(=CC1)C;CC1=CCC(CC1)[NH+](C)CCC=C(C)C","InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1","(4S)-7-AZABISABOLENE; S-AZABISABOLENE","2005-03-04","2020-06-17","(1R)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium",""],["9AK","N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine","C6 H16 N2 O","CC(C)(N)CNCCO;CC(C)(CNCCO)N","InChI=1S/C6H16N2O/c1-6(2,7)5-8-3-4-9/h8-9H,3-5,7H2,1-2H3","","2017-05-03","2018-05-25","2-[(2-azanyl-2-methyl-propyl)amino]ethanol","2018-05-30"],["SB","ANTIMONY (III) ION","Sb","[Sb+3];[Sb+3]","InChI=1S/Sb/q+3","","2000-06-19","2011-06-07","antimony(3+)",""],["9AL","(2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide","C13 H20 N2 O2","O=C(NC(c1ccccc1)CC)C(O)C(N)C;CC[CH](NC(=O)[CH](O)[CH](C)N)c1ccccc1;CCC(c1ccccc1)NC(=O)C(C(C)N)O","InChI=1S/C13H20N2O2/c1-3-11(10-7-5-4-6-8-10)15-13(17)12(16)9(2)14/h4-9,11-12,16H,3,14H2,1-2H3,(H,15,17)/t9-,11+,12-/m0/s1","","2010-09-24","2012-01-13","(2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide",""],["9AM","9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID","C11 H18 N2 O7","O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(O)C=1;CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CN)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CN)O)O)C(=O)O)O","InChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1","","2000-07-21","2020-07-17","5-(acetylamino)-9-amino-2,6-anhydro-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enonic acid",""],["SB0","trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol","C20 H21 F N4 O2","Fc4ccc(c1ncn(c1c2nc(OC)ncc2)C3CCC(O)CC3)cc4;COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[CH](O)CC4;COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F","InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-","","2012-06-01","2013-05-31","trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol","2013-06-05"],["SB1","(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE","C24 H39 N O6","O=C1OCCCCCCCCCCCC(=O)OCC(C(=O)C(=O)N2C1CCCC2)(C)C;CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[CH]2CCCCN2C(=O)C1=O;CC1(COC(=O)CCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C","InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1","","1999-07-08","2011-06-04","(24aS)-17,17-dimethylhexadecahydropyrido[2,1-c][1,9,4]dioxazacyclohenicosine-1,14,18,19(3H,21H)-tetrone",""],["9AN","2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one","C14 H10 N2 O2","Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O","InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)","","2017-05-04","2018-03-09","2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one","2018-03-14"],["SB2","4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE","C21 H16 F N3 O S","Fc4ccc(c2nc(c1ccc(S(=O)C)cc1)nc2c3ccncc3)cc4;C[S](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4;CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4","InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m0/s1","","1999-07-08","2012-01-05","4-[4-(4-fluorophenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridine",""],["9AO","N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide","C33 H41 N7 O5","C(C(NCCNC(/N=C(N)NCCCC(C(=O)NCc1ccc(O)cc1)NC(=O)C(c2ccccc2)c3ccccc3)=O)=O)C;CCC(=O)NCCNC(=O)N=C(N)NCCC[CH](NC(=O)C(c1ccccc1)c2ccccc2)C(=O)NCc3ccc(O)cc3;CCC(=O)NCCNC(=O)N=C(N)NCCCC(C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3","InChI=1S/C33H41N7O5/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45)/t27-/m1/s1","","2018-02-15","2018-04-20","N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide","2018-04-25"],["SB3","1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE","C28 H35 N O4","O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(c1ccccc1)CCc2ccccc2)CCCC3;CCC(C)(C)C(=O)C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccccc2)c3ccccc3;CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc2ccccc2)c3ccccc3","InChI=1S/C28H35NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3/t23-,24+/m0/s1","","1999-07-08","2011-06-04","(1R)-1,3-diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate",""],["9AP","9-AMINOPHENANTHRENE","C14 H11 N","c23c1ccccc1cc(N)c2cccc3;Nc1cc2ccccc2c3ccccc13;c1ccc2c(c1)cc(c3c2cccc3)N","InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2","","2000-02-23","2011-06-04","phenanthren-9-amine",""],["SB4","4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE","C18 H19 F N6","Fc1ccc(cc1)c3ncn(c3c2nc(ncc2)N)C4CCNCC4;Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCNCC4;c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F","InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)","SB220025","1999-07-08","2021-03-01","4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]pyrimidin-2-amine",""],["9AQ","2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one","C16 H14 N2 O2","CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)","","2017-05-04","2018-03-09","2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one","2018-03-14"],["SB5","4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE","C17 H16 F N5","Fc4ccc(c1ncn(c1c2nc(ncc2)N)CC3CC3)cc4;Nc1nccc(n1)c2n(CC3CC3)cnc2c4ccc(F)cc4;c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F","InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)","","1999-07-08","2011-06-04","4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine",""],["9AR","9-HYDROXY ARISTOLOCHIC ACID","C17 H11 N O8","[O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)ccc(O)c4OC;COc1c(O)ccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O;COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O","InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)","9-HYDROXY-8-METHOXY-6-NITRO-PHENANTHROL[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID","2000-10-06","2020-06-17","9-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid",""],["SB6","4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE","C18 H16 F N3","Fc4ccc(c1ncn(c1c2ccncc2)CC3CC3)cc4;Fc1ccc(cc1)c2ncn(CC3CC3)c2c4ccncc4;c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F","InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2","SB216995; PYRIDINYLIMIDAZOLE","1999-07-08","2020-06-17","4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine",""],["9AT","(2S,3R)-2-amino-3-hydroxy-butanamide","C4 H10 N2 O2","C[CH](O)[CH](N)C(N)=O;CC(C(C(=O)N)N)O","InChI=1S/C4H10N2O2/c1-2(7)3(5)4(6)8/h2-3,7H,5H2,1H3,(H2,6,8)/t2-,3+/m1/s1","AMIDATED THREONINE","2011-02-10","2024-09-27","(2S,3R)-2-amino-3-hydroxy-butanamide",""],["SB7","[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL","C10 H15 N O2","OCN(O)CCCc1ccccc1;OCN(O)CCCc1ccccc1;c1ccc(cc1)CCCN(CO)O","InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2","SB-485345","2005-08-11","2020-06-17","[hydroxy(3-phenylpropyl)amino]methanol",""],["9AU","4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one","C24 H30 O3","CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)c2ccccc2OC1=O;CC(=CCCC(=CCCC(=CCC1=C(c2ccccc2OC1=O)O)C)C)C","InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+","","2018-02-26","2019-02-22","4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one","2019-02-27"],["SB8","2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE","C16 H15 N O4","O=CN(O)CCOc1cc(ccc1)C(=O)c2ccccc2;ON(CCOc1cccc(c1)C(=O)c2ccccc2)C=O;c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O","InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2","SB-543668","2005-08-15","2021-03-01","N-hydroxy-N-{2-[3-(phenylcarbonyl)phenoxy]ethyl}formamide",""],["9AW","2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one","C19 H13 N3 O","O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4","InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23)","","2017-05-04","2018-03-09","2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one","2018-03-14"],["SB9","HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE","C10 H14 N2 O2","O=CN(O)CCCc1nc(ccc1)C;Cc1cccc(CCCN(O)C=O)n1;Cc1cccc(n1)CCCN(C=O)O","InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3","SB-505684","2005-08-16","2020-06-17","N-hydroxy-N-[3-(6-methylpyridin-2-yl)propyl]formamide",""],["9AX","(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate","C20 H36 O7 P2","O=P(O)(OP(=O)(O)O)OC[C@H]=C(CCC2(C)C(CC=C1C(C)(C)CCCC12)C)C;C[CH]1CC=C2[CH](CCCC2(C)C)[C]1(C)CCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC1CC=C2C(C1(C)CCC(=CCOP(=O)(O)OP(=O)(O)O)C)CCCC2(C)C","InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t16-,18+,20+/m0/s1","","2018-02-26","2018-03-09","(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate","2018-03-14"],["SBA","CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE","C22 H36 N2 O5","O=C(NC(CC(C)C)C(O)COC)C(NC(=O)OCc1ccccc1)CC(C)C;COC[CH](O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1;CC(C)CC(C(COC)O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C22H36N2O5/c1-15(2)11-18(20(25)14-28-5)23-21(26)19(12-16(3)4)24-22(27)29-13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,23,26)(H,24,27)/t18-,19-,20+/m0/s1","","1999-07-08","2011-06-04","N~2~-[(benzyloxy)carbonyl]-N-{(1S)-1-[(1S)-1-hydroxy-2-methoxyethyl]-3-methylbutyl}-L-leucinamide",""],["9AY","4-methylbenzene-1,2-diamine","C7 H10 N2","c1cc(C)cc(c1N)N;Cc1ccc(N)c(N)c1;Cc1ccc(c(c1)N)N","InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3","","2017-04-14","2018-04-20","4-methylbenzene-1,2-diamine","2018-04-25"],["SBB","N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE","C19 H21 N3 O3 S","O=S(=O)(N)c1ccc(cc1)C(=O)NCC(c2cc3c(cc2)ncc3)CC;CC[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)c2ccc3[nH]ccc3c2;CCC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3","InChI=1S/C19H21N3O3S/c1-2-13(15-5-8-18-16(11-15)9-10-21-18)12-22-19(23)14-3-6-17(7-4-14)26(20,24)25/h3-11,13,21H,2,12H2,1H3,(H,22,23)(H2,20,24,25)/t13-/m1/s1","","2001-04-13","2011-06-04","N-[(2S)-2-(1H-indol-5-yl)butyl]-4-sulfamoylbenzamide",""],["9AZ","(2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid","C20 H19 N3 O5","O=C(O)C(O)(C=4C=C3c2nc1cccc(N)c1cc2CN3C(=O)C=4CO)CC;CC[C](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4c(N)cccc4nc3C2=C1;CCC(C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O","InChI=1S/C20H19N3O5/c1-2-20(28,19(26)27)13-7-16-17-10(8-23(16)18(25)12(13)9-24)6-11-14(21)4-3-5-15(11)22-17/h3-7,24,28H,2,8-9,21H2,1H3,(H,26,27)/t20-/m0/s1","9 Amino camptothecin, open form","2013-07-03","2020-06-17","(2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid","2013-07-24"],["SBC","1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE","C15 H12 N6 O3 S","O=S(=O)(N)c1ccc(cc1)n4nc(c3c4c2cnnc2cc3)C(=O)N;NC(=O)c1nn(c2ccc(cc2)[S](N)(=O)=O)c3c4cn[nH]c4ccc13;c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N","InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24)","1-(4-SULFAMOYL-PHENYL)-1,4,5,6-TETRAHYDRO-BENZO-DIPYRAZOLE-3-CARBOXYLIC ACID AMIDE","2005-02-23","2021-03-13","1-(4-sulfamoylphenyl)-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide",""],["9B0","[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate","C40 H66 N2 O9","CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(=O)N3CCN(CC3)C4CCCCCC4)C=C[CH]2C;CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O","InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1","E7107","2018-03-01","2026-04-26","[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate","2018-03-21"],["SBD","D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE","C17 H22 B N2 O6","O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12;CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)OC[CH](N)C(O)=O;[B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OCC(C(=O)O)N","InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1","","1999-07-08","2024-09-27","[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)",""],["9B1","2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one","C29 H29 N5 O3 S","c12c(CC(C1)(C)C)sc3c2CCN(C3=O)c4cccc(c4CO)C5=CN(C(C(=C5)Nc6ccncn6)=O)C;CN1C=C(C=C(Nc2ccncn2)C1=O)c3cccc(N4CCc5c6CC(C)(C)Cc6sc5C4=O)c3CO;CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C","InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)","","2017-04-14","2017-06-30","2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one","2017-07-05"],["9B2","2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one","C19 H19 N3 O","O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4","InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23)","","2017-05-04","2018-03-09","2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one","2018-03-14"],["SBE","1,3,2-DIOXABOROLAN-2-OL","C2 H5 B O3","OB1OCCO1;OB1OCCO1;B1(OCCO1)O","InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2","","2004-02-02","2024-09-27","1,3,2-dioxaborolan-2-ol",""],["SBF","N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide","C32 H47 N3 O3 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CC35CC4CC(CC(C3)C4)C5;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)C[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4","InChI=1S/C32H47N3O3S/c1-35(2)29-13-9-12-28-27(29)11-10-14-30(28)39(37,38)34-16-8-6-4-3-5-7-15-33-31(36)23-32-20-24-17-25(21-32)19-26(18-24)22-32/h9-14,24-26,34H,3-8,15-23H2,1-2H3,(H,33,36)/t24-,25+,26-,32-","","2010-10-12","2011-06-04","N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide",""],["9B3","(2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid","C9 H11 Cl N2 O2 Se","Nc1ncc(C[CH](C[SeH])C(O)=O)cc1Cl;c1c(cnc(c1Cl)N)CC(C[SeH])C(=O)O","InChI=1S/C9H11ClN2O2Se/c10-7-2-5(3-12-8(7)11)1-6(4-15)9(13)14/h2-3,6,15H,1,4H2,(H2,11,12)(H,13,14)/t6-/m1/s1","","2018-03-01","2018-06-15","(2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid","2018-06-20"],["9B4","(2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol","C20 H42 O9","CC(COCC(CO)(COCC(C)O)COCC(OCC(O)C)C)OCC(O)C;C[CH](O)COC[C](CO)(COC[CH](C)OC[CH](C)O)COC[CH](C)OC[CH](C)O;CC(COCC(CO)(COCC(C)OCC(C)O)COCC(C)OCC(C)O)O","InChI=1S/C20H42O9/c1-15(22)6-25-12-20(11-21,13-26-9-18(4)28-7-16(2)23)14-27-10-19(5)29-8-17(3)24/h15-19,21-24H,6-14H2,1-5H3/t15-,16-,17-,18-,19-/m1/s1","Pentaerythritol propoxylate (5/4 PO/OH)","2017-04-14","2021-03-01","(2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol","2017-10-25"],["SBG","O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE","C4 H10 N O5 P","O=P(OCC(C(=O)O)N)(O)C;C[P](O)(=O)OC[CH](N)C(O)=O;CP(=O)(O)OCC(C(=O)O)N","InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1","","2007-02-13","2024-09-27","O-[(S)-hydroxy(methyl)phosphoryl]-L-serine",""],["SBH","(S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE","C5 H13 Br O8 P2","O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O;C[C](O)(CBr)CCO[P](O)(=O)O[P](O)(O)=O;CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O","InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m0/s1","","2004-08-19","2011-06-04","(3S)-4-bromo-3-hydroxy-3-methylbutyl trihydrogen diphosphate",""],["9B5","(2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C21 H26 N4 O4 S","C[CH](NC(C)=O)C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C)NC(=O)C)O","InChI=1S/C21H26N4O4S/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SBI","SORBINIL","C11 H9 F N2 O3","Fc3ccc2OCCC1(C(=O)NC(=O)N1)c2c3;Fc1ccc2OCC[C]3(NC(=O)NC3=O)c2c1;c1cc2c(cc1F)C3(CCO2)C(=O)NC(=O)N3","InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1","","1999-07-08","2011-06-04","(4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione",""],["9B6","7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one","C22 H16 F3 N5 O4","FC(F)(F)Oc1ccccc1N4C(=O)Nc3cnc2cc(c(nc2c34)OC)c5c(onc5C)C;COc1nc2c(cc1c3c(C)onc3C)ncc4NC(=O)N(c5ccccc5OC(F)(F)F)c24;Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC","InChI=1S/C22H16F3N5O4/c1-10-17(11(2)34-29-10)12-8-13-18(28-20(12)32-3)19-14(9-26-13)27-21(31)30(19)15-6-4-5-7-16(15)33-22(23,24)25/h4-9H,1-3H3,(H,27,31)","","2013-06-29","2014-09-05","7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one","2013-09-11"],["SBJ","[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate","C31 H62 N O8 P","CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCCN","InChI=1S/C31H62NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-31(34)40-29(28-39-41(35,36)38-26-25-32)27-37-30(33)23-21-19-8-6-4-2/h29H,3-28,32H2,1-2H3,(H,35,36)/t29-/m0/s1","","2020-03-06","2020-03-13","[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate","2020-03-18"],["9B7","3',3'-cdIMP","C20 H22 N8 O14 P2","C5(C(C1C(COP(=O)(OC2C(COP(O1)(O)=O)OC(C2O)n4c3c(C(N=CN3)=O)nc4)O)O5)O)n7c6NC=NC(=O)c6nc7;O[CH]1[CH]2O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]2O[CH]1n4cnc5C(=O)N=CNc45)n6cnc7C(=O)N=CNc67;c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O","InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-3,5,10,12-tetrahydroxy-2,9-bis(6-oxo-3,6-dihydro-9H-purin-9-yl)octahydro-2H,5H,\n7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione","2017-04-17","2020-06-17","(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-3,5,10,12-tetrahydroxy-2,9-bis(6-oxo-3,6-dihydro-9H-purin-9-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione","2017-09-27"],["SBK","Triclopyr","C7 H4 Cl3 N O3","OC(=O)COc1nc(Cl)c(Cl)cc1Cl;c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl","InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)","","2016-05-26","2016-09-30","2-[3,5,6-tris(chloranyl)pyridin-2-yl]oxyethanoic acid","2016-10-05"],["9B8","(2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C26 H34 N4 O5 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4COC4)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4COC4)O","InChI=1S/C26H34N4O5S/c1-15-21(36-14-28-15)17-7-5-16(6-8-17)10-27-24(33)20-9-19(31)11-30(20)25(34)22(26(2,3)4)29-23(32)18-12-35-13-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SBL","L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE","C17 H22 B N2 O6","O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12;CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)OC[CH](N)C(O)=O;[B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OCC(C(=O)O)N","InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)",""],["9B9","(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide","C30 H35 F N4 O4","COC[CH]1C[CH]1C#CC#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5;COCC1CC1C#CC#Cc2ccc(cc2)C(=O)NCC3CC(CN3C(=O)C4CC4)NC(=O)C5CC(CN5)F","InChI=1S/C30H35FN4O4/c1-39-18-23-12-22(23)5-3-2-4-19-6-8-20(9-7-19)28(36)33-16-26-14-25(17-35(26)30(38)21-10-11-21)34-29(37)27-13-24(31)15-32-27/h6-9,21-27,32H,10-18H2,1H3,(H,33,36)(H,34,37)/t22-,23+,24+,25-,26-,27+/m1/s1","(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[4-[(1R,2R)-2-(methoxymethyl)cyclopropyl]buta-1,3-diynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2021-11-11","2022-10-28","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[4-[(1~{R},2~{R})-2-(methoxymethyl)cyclopropyl]buta-1,3-diynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-11-02"],["SBM","2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","C30 H61 N O8 P","CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC","InChI=1S/C30H60NO8P/c1-6-8-10-12-14-15-17-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-16-13-11-9-7-2/h28H,6-27H2,1-5H3/p+1/t28-/m0/s1","","2020-03-06","2020-03-13","2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","2020-03-18"],["9BA","N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide","C28 H44 N8 O5","CN/C(NCCCC1NC(=O)C(C)(NC(=O)C(C)C)CCNC(C(NC(C(NC1=O)CC)=O)c2ccccc2)=O)=N;CC[CH]1NC(=O)[CH](CCCNC(=N)NC)NC(=O)[C](C)(CCNC(=O)[CH](NC1=O)c2ccccc2)NC(=O)C(C)C;CCC1C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCCNC(=N)NC)(C)NC(=O)C(C)C)c2ccccc2","InChI=1S/C28H44N8O5/c1-6-19-23(38)35-21(18-11-8-7-9-12-18)25(40)31-16-14-28(4,36-22(37)17(2)3)26(41)34-20(24(39)33-19)13-10-15-32-27(29)30-5/h7-9,11-12,17,19-21H,6,10,13-16H2,1-5H3,(H,31,40)(H,33,39)(H,34,41)(H,35,38)(H,36,37)(H3,29,30,32)/t19-,20-,21+,28+/m0/s1","","2017-04-17","2017-06-23","N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide","2017-06-28"],["SBN","2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE","C15 H14 N2 O2 S","N#Cc1c(cccc1N)S(=O)(=O)c2cc(cc(c2)C)C;Cc1cc(C)cc(c1)[S](=O)(=O)c2cccc(N)c2C#N;Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C","InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3","","2001-07-19","2011-06-04","2-amino-6-[(3,5-dimethylphenyl)sulfonyl]benzonitrile",""],["9BB","trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid","C10 H16 N2 O4 S","O=C(OC1CCC(C(=O)O)CC1)NC(=CS)N;NC(NC(=O)O[CH]1CC[CH](CC1)C(O)=O)=CS;C1CC(CCC1C(=O)O)OC(=O)NC(=CS)N","InChI=1S/C10H16N2O4S/c11-8(5-17)12-10(15)16-7-3-1-6(2-4-7)9(13)14/h5-7,17H,1-4,11H2,(H,12,15)(H,13,14)/b8-5+/t6-,7-","","2012-01-04","2024-09-27","trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid",""],["SBO","TRIHYDROXYANTIMONITE(III)","H3 O3 Sb","O[Sb](O)O;O[Sb](O)O;O[Sb](O)O","InChI=1S/3H2O.Sb/h3*1H2;/q;;;+3/p-3","","2000-06-19","2011-06-04","antimonous acid",""],["9BC","1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid","C21 H22 N2 O3","OC(=O)C1=CCCN(CCON=C(c2ccccc2)c3ccccc3)C1;c1ccc(cc1)C(=NOCCN2CCC=C(C2)C(=O)O)c3ccccc3","InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)","NO-711","2022-01-13","2022-06-24","1-[2-[(diphenylmethylidene)amino]oxyethyl]-3,6-dihydro-2~{H}-pyridine-5-carboxylic acid","2022-06-29"],["SBP","[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE","C6 H15 B N3 O3","O(B1OCCO1)CCCNC(=[NH2+])N;NC(=[NH2+])NCCCOB1OCCO1;B1(OCCO1)OCCCNC(=[NH2+])N","InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1","","2004-01-26","2024-09-27","amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium",""],["9BD","2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine","C19 H19 N5 O3","n1c(c3c(cc1n2ccnc2)c4cc(OC)c(OCCOC)cc4nc3)N;COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)n4ccnc4;COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4","InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)","","2009-05-07","2011-06-04","2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine",""],["SBQ","methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate","C20 H21 Cl O8","COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(Cl)c2;COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1","","2020-11-13","2020-12-18","methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate","2020-12-23"],["9BE","N-benzylthioformamide","C8 H9 N S","S=CNCc1ccccc1;S=CNCc1ccccc1;c1ccc(cc1)CNC=S","InChI=1S/C8H9NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)","","2013-12-17","2024-09-27","N-benzylthioformamide","2014-03-05"],["SBR","(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE","C19 H21 N3 O3 S","O=S(=O)(N)c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3;C[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2ccc3ccccc23;CC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3","InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m1/s1","","2001-04-13","2011-06-04","N-[(2R)-3-(1H-indol-1-yl)-2-methylpropyl]-4-sulfamoylbenzamide",""],["9BF","4-(1~{H}-indol-3-yl)butan-2-one","C12 H13 N O","CC(=O)CCc1c[nH]c2ccccc12;CC(=O)CCc1c[nH]c2c1cccc2","InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3","","2018-03-08","2018-12-14","4-(1~{H}-indol-3-yl)butan-2-one","2018-12-19"],["SBS","(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE","C19 H21 N3 O3 S","O=S(=O)(N)c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3;C[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2ccc3ccccc23;CC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3","InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m0/s1","","2001-04-13","2011-06-04","N-[(2S)-3-(1H-indol-1-yl)-2-methylpropyl]-4-sulfamoylbenzamide",""],["9BG","2',5'-GpAp","C20 H26 N10 O14 P2","c2nc1C(=O)N=C(N)Nc1n2C3C(C(C(O3)CO)O)OP(O)(OCC6OC(n5c4ncnc(N)c4nc5)C(C6OP(O)(=O)O)O)=O;NC1=NC(=O)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc56)c2N1;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N","InChI=1S/C20H26N10O14P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)12(43-45(35,36)37)7(42-18)2-40-46(38,39)44-13-10(32)6(1-31)41-19(13)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl [(2~{R},3~{R},4~{R},5~{R})-2-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","2017-04-17","2021-03-13","(2R,3S,4R,5R)-2-({[(R)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name)","2017-09-27"],["9BH","(2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C27 H36 N4 O4 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4CCC4)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4CCC4)O","InChI=1S/C27H36N4O4S/c1-16-22(36-15-29-16)18-10-8-17(9-11-18)13-28-25(34)21-12-20(32)14-31(21)26(35)23(27(2,3)4)30-24(33)19-6-5-7-19/h8-11,15,19-21,23,32H,5-7,12-14H2,1-4H3,(H,28,34)(H,30,33)/t20-,21+,23-/m1/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SBT","2-BUTANOL","C4 H10 O","OC(C)CC;CC[CH](C)O;CCC(C)O","InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1","","1999-07-08","2011-06-04","(2S)-butan-2-ol",""],["SBU","SEC-BUTYL GROUP","C4 H10","CCCC;CCCC;CCCC","InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3","","1999-07-08","2008-10-14","butane",""],["9BI","4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide","C14 H21 N3 O3","O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO;CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1;CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1","InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19)","","2021-10-06","2022-09-30","4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide","2022-10-05"],["SBV","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside","C27 H49 N6 O12 P","c4(CNCC3CCC(C(OC1C(CC(N)C(C1O)OC2C(O)C(NC)C(CO2)(C)O)N)O3)N)c(COP(O)(O)=O)cnc(c4O)C;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CC[CH]3N)CNCc4c(O)c(C)ncc4CO[P](O)(O)=O)[CH]2O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC2CCC(C(O2)OC3C(CC(C(C3O)OC4C(C(C(CO4)(C)O)NC)O)N)N)N)O","InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16-,17+,18-,20+,21-,22-,23+,24-,25-,26-,27+/m1/s1","PLP-sisomicin","2020-03-06","2021-09-17","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside","2021-09-22"],["9BJ","3',3'-cdUMP","C18 H24 N4 O16 P2","C3(C(C1C(COP(=O)(OC(CCOP(O1)(=O)O)C(C(O)N2C(NC(C=C2)=O)=O)O)O)O3)O)N4C=CC(NC4=O)=O;O[CH]([CH](O)N1C=CC(=O)NC1=O)[CH]2CCO[P](O)(=O)O[CH]3[CH](O)[CH](O[CH]3CO[P](O)(=O)O2)N4C=CC(=O)NC4=O;C1COP(=O)(OC2C(COP(=O)(OC1C(C(N3C=CC(=O)NC3=O)O)O)O)OC(C2O)N4C=CC(=O)NC4=O)O","InChI=1S/C18H24N4O16P2/c23-10-1-4-21(17(28)19-10)15(27)12(25)8-3-6-34-39(30,31)38-14-9(7-35-40(32,33)37-8)36-16(13(14)26)22-5-2-11(24)20-18(22)29/h1-2,4-5,8-9,12-16,25-27H,3,6-7H2,(H,30,31)(H,32,33)(H,19,23,28)(H,20,24,29)/t8-,9-,12-,13-,14-,15-,16-/m1/s1","1-{(2R,6R,8R,10aR,12R,13R,13aS)-6-[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-1,2-dihydroxyethyl]-2,8,13-trihydroxy-2,8-dioxohexahydro-2H,4H,8H,10H-2lambda~5~,8lambda~5~-furo[3,2-d][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-12-yl}pyrimidine-2,4(1H,3H)-dione","2017-04-17","2021-03-13","1-{(2R,6R,8R,10aR,12R,13R,13aS)-6-[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-1,2-dihydroxyethyl]-2,8,13-trihydroxy-2,8-dioxohexahydro-2H,4H,8H,10H-2lambda~5~,8lambda~5~-furo[3,2-d][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-12-yl}pyrimidine-2,4(1H,3H)-dione","2017-09-27"],["SBW","N-(3-hydroxybenzyl)-4-sulfamoylbenzamide","C14 H14 N2 O4 S","O=S(=O)(N)c2ccc(C(=O)NCc1cccc(O)c1)cc2;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(O)c2;c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H14N2O4S/c15-21(19,20)13-6-4-11(5-7-13)14(18)16-9-10-2-1-3-12(17)8-10/h1-8,17H,9H2,(H,16,18)(H2,15,19,20)","","2013-09-24","2013-12-06","N-(3-hydroxybenzyl)-4-sulfamoylbenzamide","2013-12-11"],["9BK","(2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C28 H37 N5 O5 S","CC(=O)NC1(CC1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O","InChI=1S/C28H37N5O5S/c1-16-22(39-15-30-16)19-8-6-18(7-9-19)13-29-24(36)21-12-20(35)14-33(21)25(37)23(27(3,4)5)31-26(38)28(10-11-28)32-17(2)34/h6-9,15,20-21,23,35H,10-14H2,1-5H3,(H,29,36)(H,31,38)(H,32,34)/t20-,21+,23-/m1/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SBX","1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE","C28 H41 N O4","O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(CCc1ccccc1)C2CCCCC2)CCCC3;CCC(C)(C)C(=O)C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccccc2)C3CCCCC3;CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc2ccccc2)C3CCCCC3","InChI=1S/C28H41NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5,7-8,13-14,22-24H,4,6,9-12,15-20H2,1-3H3/t23-,24?/m0/s1","","1999-07-08","2011-06-04","(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate",""],["9BL","methyl (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate","C19 H23 Cl O5","COC(=O)C(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C;COC(=O)C(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C(=O)OC)O)C=O","InChI=1S/C19H23ClO5/c1-11(6-5-7-12(2)19(24)25-4)8-9-14-17(22)15(10-21)13(3)16(20)18(14)23/h7-8,10,22-23H,5-6,9H2,1-4H3/b11-8+,12-7+","","2018-03-08","2018-09-21","methyl (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate","2018-09-26"],["SBY","3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE","C17 H37 N O3 S","[O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCCCC)C;CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O;CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]","InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3","","2009-08-07","2011-06-04","3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate",""],["9BM","4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid","C25 H26 N4 O4","O=C(O)c3cnc1cc(c(nc1c3Nc2ccccc2C(C)(C)C)OC)c4c(onc4C)C;COc1nc2c(Nc3ccccc3C(C)(C)C)c(cnc2cc1c4c(C)onc4C)C(O)=O;Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC","InChI=1S/C25H26N4O4/c1-13-20(14(2)33-29-13)15-11-19-22(28-23(15)32-6)21(16(12-26-19)24(30)31)27-18-10-8-7-9-17(18)25(3,4)5/h7-12H,1-6H3,(H,26,27)(H,30,31)","","2013-06-29","2014-09-05","4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid","2013-09-11"],["SBZ","[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE","C10 H14 B N2 O3","O(B1OCCO1)Cc2ccc(C(=[NH2+])N)cc2;NC(=[NH2+])c1ccc(COB2OCCO2)cc1;B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N","InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1","","2004-02-02","2024-09-27","amino{4-[(1,3,2-dioxaborolan-2-yloxy)methyl]phenyl}methaniminium",""],["9BN","(2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C28 H36 N4 O5 S","CC(=O)C1(CC1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O","InChI=1S/C28H36N4O5S/c1-16-22(38-15-30-16)19-8-6-18(7-9-19)13-29-24(35)21-12-20(34)14-32(21)25(36)23(27(3,4)5)31-26(37)28(10-11-28)17(2)33/h6-9,15,20-21,23,34H,10-14H2,1-5H3,(H,29,35)(H,31,37)/t20-,21+,23-/m1/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SC","2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE","C9 H14 N3 O6 P S","O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=S)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)O)O","InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5'-O-thiophosphonocytidine",""],["9BO","(2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate","C21 H27 Cl O5","CC(=O)OC(C)C(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C;C[CH](OC(C)=O)C(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C(C)OC(=O)C)O)C=O","InChI=1S/C21H27ClO5/c1-12(7-6-8-13(2)15(4)27-16(5)24)9-10-17-20(25)18(11-23)14(3)19(22)21(17)26/h8-9,11,15,25-26H,6-7,10H2,1-5H3/b12-9+,13-8+/t15-/m0/s1","","2018-03-08","2018-09-21","(2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate","2018-09-26"],["SC0","(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)","C17 H34 O6 P2","O=P(O)(O)C(C/C=C/CCCCC)(C/C=C/CCCCC)P(=O)(O)O;CCCCCC=CCC(CC=CCCCCC)([P](O)(O)=O)[P](O)(O)=O;CCCCCC=CCC(CC=CCCCCC)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C17H34O6P2/c1-3-5-7-9-11-13-15-17(24(18,19)20,25(21,22)23)16-14-12-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,18,19,20)(H2,21,22,23)/b13-11+,14-12+","","2007-06-28","2011-06-04","(6E,11E)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid)",""],["9BP","4-amino-N-(2-methylpropanoyl)-D-isovaline","C9 H18 N2 O3","O=C(NC(C(=O)O)(C)CCN)C(C)C;CC(C)C(=O)N[C](C)(CCN)C(O)=O;CC(C)C(=O)NC(C)(CCN)C(=O)O","InChI=1S/C9H18N2O3/c1-6(2)7(12)11-9(3,4-5-10)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t9-/m1/s1","","2017-04-17","2017-06-23","4-amino-N-(2-methylpropanoyl)-D-isovaline","2017-06-28"],["SC1","[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID","C10 H16 O13 P2","O=C(O)C(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)(P(=O)(O)O)C;C[C](O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O)(C(O)=O)[P](O)(O)=O;CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O","InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1","","2004-08-26","2011-06-04","(3R,4S,5R)-5-[(1S)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["9BR","3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde","C23 H31 Cl O3","CC(C)=[C@H]CCC(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C;CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C=O","InChI=1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+","","2018-03-08","2018-09-21","3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde","2018-09-26"],["SC2","N-ACETYL-L-CYSTEINE","C5 H9 N O3 S","O=C(NC(C(=O)O)CS)C;CC(=O)N[CH](CS)C(O)=O;CC(=O)NC(CS)C(=O)O","InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1","(2R)-2-acetamido-3-sulfanyl-propanoic acid","2006-08-11","2024-09-27","N-acetyl-L-cysteine",""],["9BS","2-(pyridin-2-yl)pyrimidine","C9 H7 N3","n2c(c1ncccc1)nccc2;c1ccc(nc1)c2ncccn2;c1ccnc(c1)c2ncccn2","InChI=1S/C9H7N3/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h1-7H","","2017-04-17","2017-09-22","2-(pyridin-2-yl)pyrimidine","2017-09-27"],["SC3","7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE","C18 H23 N6 O2","O=C2N(c1nc(n(c1C(=O)N2C)Cc3ccccc3)N4CC[NH2+]CC4)C;CN1C(=O)N(C)c2nc(N3CC[NH2+]CC3)n(Cc4ccccc4)c2C1=O;CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C","InChI=1S/C18H22N6O2/c1-21-15-14(16(25)22(2)18(21)26)24(12-13-6-4-3-5-7-13)17(20-15)23-10-8-19-9-11-23/h3-7,19H,8-12H2,1-2H3/p+1","","2005-08-09","2011-06-04","4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-ium",""],["9BT","(2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C24 H32 N4 O5 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CO)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CO)O","InChI=1S/C24H32N4O5S/c1-14-20(34-13-26-14)16-7-5-15(6-8-16)10-25-22(32)18-9-17(30)11-28(18)23(33)21(24(2,3)4)27-19(31)12-29/h5-8,13,17-18,21,29-30H,9-12H2,1-4H3,(H,25,32)(H,27,31)/t17-,18+,21-/m1/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SC4","1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE","C21 H17 Cl3 O3","Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl;COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1;COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl","InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3","","1999-07-08","2011-06-04","1,3-dichloro-2-({4-[(2-chloro-4-methoxyphenoxy)methyl]benzyl}oxy)benzene",""],["9BU","(2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate","C22 H29 Cl O5","CC(C)C(=O)OC[C@H]=C(C)CCC(=CCc1c(c(C=O)c(C)c(Cl)c1O)O)C;CC(C)C(=O)OCC=C(C)CCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC(=CCOC(=O)C(C)C)C)O)C=O","InChI=1S/C22H29ClO5/c1-13(2)22(27)28-11-10-15(4)7-6-14(3)8-9-17-20(25)18(12-24)16(5)19(23)21(17)26/h8,10,12-13,25-26H,6-7,9,11H2,1-5H3/b14-8+,15-10+","","2018-03-08","2018-09-21","(2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate","2018-09-26"],["SC5","2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL","C18 H26 N4 O2","OC(O)CNC(Nc1ccc(cc1)CN)NC(c2ccccc2)C;C[CH](N[CH](NCC(O)O)Nc1ccc(CN)cc1)c2ccccc2;CC(c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN","InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1","SC45647","2005-06-21","2021-03-01","2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol",""],["9BV","tetrazolo[5,1-b]quinazolin-9-ol","C8 H5 N5 O","c21nc3nnnn3c(c1cccc2)O;Oc1n2nnnc2nc3ccccc13;c1ccc2c(c1)c(n3c(n2)nnn3)O","InChI=1S/C8H5N5O/c14-7-5-3-1-2-4-6(5)9-8-10-11-12-13(7)8/h1-4,14H","","2017-04-17","2017-09-22","tetrazolo[5,1-b]quinazolin-9-ol","2017-09-27"],["SC6","N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE","C34 H39 F2 N3 O5","O=C(N1CCCC1COC)c2cc(cc(c2)C)C(=O)NC(Cc3cc(F)cc(F)c3)C(O)C5NCC(Oc4ccccc4)C5;COC[CH]1CCCN1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH]4C[CH](CN4)Oc5ccccc5;Cc1cc(cc(c1)C(=O)N2CCCC2COC)C(=O)NC(Cc3cc(cc(c3)F)F)C(C4CC(CN4)Oc5ccccc5)O","InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1","","2007-07-26","2011-06-04","N-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide",""],["9BW","(2~{S},4~{R})-1-[(2~{S})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C26 H34 N4 O4 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4CC4)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4CC4)O","InChI=1S/C26H34N4O4S/c1-15-21(35-14-28-15)17-7-5-16(6-8-17)12-27-24(33)20-11-19(31)13-30(20)25(34)22(26(2,3)4)29-23(32)18-9-10-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1","","2017-05-05","2017-09-15","(2~{S},4~{R})-1-[(2~{S})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2017-09-20"],["SC7","N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE","C31 H43 F2 N3 O4","O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C3NCCC(OCC)C3;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3C[CH](CCN3)OCC;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CCN3)OCC)O)C","InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1","","2007-07-26","2011-06-04","N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-[(2R,4S)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["9BX","3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde","C23 H29 Cl O5","CC(C)(C(C=CC(C)=[C@H]CCC(C)=[C@H]Cc1c(c(c(c(c1O)C=O)C)Cl)O)=O)O;CC(CCC=C(C)C=CC(=O)C(C)(C)O)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C=CC(=O)C(C)(C)O)O)C=O","InChI=1S/C23H29ClO5/c1-14(7-6-8-15(2)10-12-19(26)23(4,5)29)9-11-17-21(27)18(13-25)16(3)20(24)22(17)28/h8-10,12-13,27-29H,6-7,11H2,1-5H3/b12-10+,14-9-,15-8-","","2018-03-08","2018-09-21","3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde","2018-09-26"],["SC8","5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","C18 H13 Cl2 N5","Clc4cccc(c2nc1ccnn1c(c2)NCc3ccncc3)c4Cl;Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2;c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4","InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2","","2007-09-20","2011-06-04","5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",""],["9BY","[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid","C12 H9 N3 O2 S","n3c(c2n(c1ccccc1n2)CC(O)=O)csc3;OC(=O)Cn1c2ccccc2nc1c3cscn3;c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3","InChI=1S/C12H9N3O2S/c16-11(17)5-15-10-4-2-1-3-8(10)14-12(15)9-6-18-7-13-9/h1-4,6-7H,5H2,(H,16,17)","","2017-04-17","2017-09-22","[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid","2017-09-27"],["9BZ","(3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","C9 H15 N O2 S3","CC1(C)S[CH]2CS[CH](CS)N2[CH]1C(O)=O;CC1(C(N2C(S1)CSC2CS)C(=O)O)C","InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1","L-VC26","2015-11-20","2021-03-01","(3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","2016-06-01"],["SC9","6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine","C18 H14 F N5","Fc4ccccc4c1nc(c2nccn2c1)NCc3cccnc3;Fc1ccccc1c2cn3ccnc3c(NCc4cccnc4)n2;c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F","InChI=1S/C18H14FN5/c19-15-6-2-1-5-14(15)16-12-24-9-8-21-18(24)17(23-16)22-11-13-4-3-7-20-10-13/h1-10,12H,11H2,(H,22,23)","","2007-09-20","2011-06-04","6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",""],["SCA","SUCCINYL-COENZYME A","C25 H40 N7 O19 P3 S","O=C(O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O","InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1","","1999-07-08","2011-06-04","(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)",""],["9C0","9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide","C17 H20 N2 O2 S","CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23;CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3","InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3","","2018-03-09","2019-01-11","9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide","2019-01-16"],["9C1","2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose","C10 H16 Cl N O6","C(=C/CCl)C(=O)NC1C(C(C(CO)OC1O)O)O;OC[CH]1O[CH](O)[CH](NC(=O)C=CCCl)[CH](O)[CH]1O;C(C=CC(=O)NC1C(C(C(OC1O)CO)O)O)Cl","InChI=1S/C10H16ClNO6/c11-3-1-2-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h1-2,5,7-10,13,15-17H,3-4H2,(H,12,14)/b2-1+/t5-,7-,8-,9-,10-/m1/s1","2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucose; 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-D-glucose;\n2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-glucose","2017-04-18","2024-09-27","2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose","2017-10-18"],["SCB","2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID","C24 H19 Cl N2 O5 S","Clc1ccc(cc1C(=O)O)c2oc(cc2)/C=C4/S/C(=Nc3ccccc3)N(C4=O)CCOC;COCCN1C(=O)C(SC1=Nc2ccccc2)=Cc3oc(cc3)c4ccc(Cl)c(c4)C(O)=O;COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4","InChI=1S/C24H19ClN2O5S/c1-31-12-11-27-22(28)21(33-24(27)26-16-5-3-2-4-6-16)14-17-8-10-20(32-17)15-7-9-19(25)18(13-15)23(29)30/h2-10,13-14H,11-12H2,1H3,(H,29,30)/b21-14+,26-24-","","2006-04-10","2011-06-04","2-chloro-5-(5-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid",""],["SCC","THIOETHYL GROUP","C2 H6 S","SCC;CCS;CCS","InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3","","1999-07-08","2014-07-17","ethanethiol",""],["9C2","[(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate","C5 H13 N2 O8 P","NNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(=O)NN)O)O)O)OP(=O)(O)O","InChI=1S/C5H13N2O8P/c6-7-5(11)4(10)3(9)2(8)1-15-16(12,13)14/h2-4,8-10H,1,6H2,(H,7,11)(H2,12,13,14)/t2-,3-,4+/m1/s1","","2017-05-05","2018-04-27","[(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate","2018-05-02"],["SCD","SUCCINYL(CARBADETHIA)-COENZYME A","C26 H42 N7 O19 P3","O=C(O)CCC(=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCCC(=O)CCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O","InChI=1S/C26H42N7O19P3/c1-26(2,21(39)24(40)29-9-7-16(35)28-8-3-4-14(34)5-6-17(36)37)11-49-55(46,47)52-54(44,45)48-10-15-20(51-53(41,42)43)19(38)25(50-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,38-39H,3-11H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t15-,19-,20-,21+,25-/m1/s1","","1999-07-08","2011-06-04","(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)",""],["9C3","9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione","C16 H18 N2 O3 S","c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C;CC(C)Oc1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23;CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3","InChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3","","2018-03-09","2019-01-11","9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione","2019-01-16"],["SCE","3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine","C13 H13 N5","n1cc(n2ccnc(c12)NCc3ccncc3)C;Cc1cnc2n1ccnc2NCc3ccncc3;Cc1cnc2n1ccnc2NCc3ccncc3","InChI=1S/C13H13N5/c1-10-8-17-13-12(15-6-7-18(10)13)16-9-11-2-4-14-5-3-11/h2-8H,9H2,1H3,(H,15,16)","","2007-09-20","2011-06-04","3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",""],["9C4","(2S)-2-HYDROXY-3-EPIQUINIC ACID","C7 H12 O7","O=C(O)C1(O)CC(O)C(O)C(O)C1O;O[CH]1C[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O;C1C(C(C(C(C1(C(=O)O)O)O)O)O)O","InChI=1S/C7H12O7/c8-2-1-7(14,6(12)13)5(11)4(10)3(2)9/h2-5,8-11,14H,1H2,(H,12,13)/t2-,3+,4-,5+,7-/m1/s1","","2014-01-23","2015-02-13","(1R,2S,3R,4S,5R)-1,2,3,4,5-pentahydroxycyclohexanecarboxylic acid","2015-02-18"],["SCF","5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","C18 H14 F N5","Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3;Fc1ccccc1c2cc(NCc3ccncc3)n4nccc4n2;c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F","InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2","","2007-09-20","2011-06-04","5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",""],["9C5","2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one","C17 H17 N3 O2","CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22)","","2017-05-05","2018-04-27","2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one","2018-05-02"],["SCG","Secologanin","C17 H24 O10","O=CCC2C(C(=O)OC)=COC(OC1OC(C(O)C(O)C1O)CO)C2C=C;COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](C=C)[CH]1CC=O;COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1","METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE","2006-01-19","2020-07-17","methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate",""],["9C6","9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione","C19 H16 N2 O3 S","N41CCS(=O)(=O)N=C1C(c2ccc(cc2)Oc3ccccc3)=CC=C4;O=[S]1(=O)CCN2C=CC=C(c3ccc(Oc4ccccc4)cc3)C2=N1;c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4","InChI=1S/C19H16N2O3S/c22-25(23)14-13-21-12-4-7-18(19(21)20-25)15-8-10-17(11-9-15)24-16-5-2-1-3-6-16/h1-12H,13-14H2","","2018-03-09","2019-01-11","9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione","2019-01-16"],["SCH","S-METHYL-THIO-CYSTEINE","C4 H9 N O2 S2","O=C(O)C(N)CSSC;CSSC[CH](N)C(O)=O;CSSCC(C(=O)O)N","InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2024-09-27","3-(methyldisulfanyl)-L-alanine",""],["9C8","2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one","C18 H19 N3 O","CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12H,3-4H2,1-2H3,(H,19,20,22)","","2017-05-05","2018-03-09","2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one","2018-03-14"],["SCI","L-THIOCITRULLINE","C6 H13 N3 O2 S","O=C(O)C(N)CCC/N=C(S)N;N[CH](CCCN=C(N)S)C(O)=O;C(CC(C(=O)O)N)CN=C(N)S","InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1","","1999-07-08","2011-06-04","(Z)-N~5~-[amino(sulfanyl)methylidene]-L-ornithine",""],["9C9","2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide","C26 H29 Cl2 N7 O2","C1(N(CC(/NCC1Cc2c(Cl)cccc2Cl)=N/N(C)C)CC(=O)Nc4cc(c3cnn(C)c3)ccc4)=O;CN(C)N=C1CN(CC(=O)Nc2cccc(c2)c3cnn(C)c3)C(=O)[CH](CN1)Cc4c(Cl)cccc4Cl;Cn1cc(cn1)c2cccc(c2)NC(=O)CN3CC(=NN(C)C)NCC(C3=O)Cc4c(cccc4Cl)Cl","InChI=1S/C26H29Cl2N7O2/c1-33(2)32-24-15-35(26(37)18(12-29-24)11-21-22(27)8-5-9-23(21)28)16-25(36)31-20-7-4-6-17(10-20)19-13-30-34(3)14-19/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,29,32)(H,31,36)/t18-/m1/s1","","2018-03-13","2018-06-22","2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide","2018-06-27"],["SCJ","3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","C18 H14 Br N5","Brc1cnn2c(cc(nc12)c3ccccc3)NCc4cccnc4;Brc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4;c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4","InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h1-10,12,21H,11H2","","2007-09-20","2011-06-04","3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",""],["9CA","9H-CARBAZOLE","C12 H9 N","c1cccc3c1c2c(cccc2)n3;[nH]1c2ccccc2c3ccccc13;c1ccc2c(c1)c3ccccc3[nH]2","InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H","","2006-02-14","2011-06-04","9H-carbazole",""],["SCK","2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM)","C14 H30 N2 O4","O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C;C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C;C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C","InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2","SUCCINYLDICHOLINE","2006-06-14","2021-03-01","2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium)",""],["9CB","7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one","C17 H16 Cl N3 O2","CN(CCO)c1ccc(cc1)C2=Nc3cc(Cl)ccc3C(=O)N2;CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl","InChI=1S/C17H16ClN3O2/c1-21(8-9-22)13-5-2-11(3-6-13)16-19-15-10-12(18)4-7-14(15)17(23)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20,23)","","2017-05-05","2018-03-09","7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one","2018-03-14"],["SCL","ACETIC ACID SALICYLOYL-AMINO-ESTER","C9 H9 N O4","O=C(c1ccccc1O)NOC(=O)C;CC(=O)ONC(=O)c1ccccc1O;CC(=O)ONC(=O)c1ccccc1O","InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13)","","2000-02-01","2011-06-04","N-(acetyloxy)-2-hydroxybenzamide",""],["9CC","(3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","C16 H20 O5","c2(cc(cc3CC(CC1CCCC(C)O1)OC(c23)=O)O)O;C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1;CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m1/s1","","2018-03-14","2018-06-22","(3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","2018-06-27"],["SCM","SPECTINOMYCIN","C14 H24 N2 O7","O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O;CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH](O[CH](C)CC3=O)O[CH]2[CH]1O;CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O","InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1","ACTINOSPECTACIN; ESPECTINOMICINA; CHX-3101","2000-08-25","2020-05-27","(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one",""],["9CD","2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose","C10 H17 N O6","OC1C(C(OC(C1O)CO)O)NC([C@H]=CC)=O;CC=CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC=CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C10H17NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h2-3,5,7-10,12,14-16H,4H2,1H3,(H,11,13)/b3-2+/t5-,7-,8-,9-,10-/m1/s1","2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucose; 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-D-glucose;\n2-{[(2E)-but-2-enoyl]amino}-2-deoxy-glucose","2017-04-18","2024-09-27","2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose","2017-10-18"],["9CE","2-(2-aminophenyl)-3~{H}-quinazolin-4-one","C14 H11 N3 O","Nc1ccccc1C2=Nc3ccccc3C(=O)N2;c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N","InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)","","2017-05-05","2018-04-27","2-(2-aminophenyl)-3~{H}-quinazolin-4-one","2018-05-02"],["SCN","THIOCYANATE ION","C N S","[S-]C#N;[S-]C#N;C(#N)[S-]","InChI=1S/CHNS/c2-1-3/h3H/p-1","","1999-07-08","2024-09-27","thiocyanate",""],["SCO","SUCCINAMIDE-COA","C25 H41 N8 O19 P3","O=C(O)CCC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O","InChI=1S/C25H41N8O19P3/c1-25(2,20(39)23(40)29-6-5-15(35)28-8-7-27-14(34)3-4-16(36)37)10-49-55(46,47)52-54(44,45)48-9-13-19(51-53(41,42)43)18(38)24(50-13)33-12-32-17-21(26)30-11-31-22(17)33/h11-13,18-20,24,38-39H,3-10H2,1-2H3,(H,27,34)(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,26,30,31)(H2,41,42,43)/t13-,18-,19-,20+,24-/m1/s1","","2001-12-07","2011-06-04","(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)",""],["9CF","(3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","C16 H20 O5","C1C(OC(CC1)C)CC2OC(=O)c3c(cc(cc3C2)O)O;C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1;CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13+/m1/s1","","2018-03-14","2018-06-22","(3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","2018-06-27"],["SCP","[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE","C11 H16 N3 O7 P","O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2CONC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O","InChI=1/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1/f/h14,17-18H","PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE","1999-07-08","2008-10-14","[5-hydroxy-6-methyl-4-({[(4R)-3-oxoisoxazolidin-4-yl]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate",""],["9CG","1H,3H-naphtho[1,8-cd]pyran-1-one","C12 H8 O2","c1ccc3C(=O)OCc2c3c1ccc2;O=C1OCc2cccc3cccc1c23;c1cc2cccc3c2c(c1)COC3=O","InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2","","2017-04-19","2017-04-21","1H,3H-naphtho[1,8-cd]pyran-1-one","2017-04-26"],["SCQ","3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine","C18 H14 Br N5","Brc1cnn2c1cc(cc2NCc3cncnc3)c4ccccc4;Brc1cnn2c(NCc3cncnc3)cc(cc12)c4ccccc4;c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br","InChI=1S/C18H14BrN5/c19-16-11-23-24-17(16)6-15(14-4-2-1-3-5-14)7-18(24)22-10-13-8-20-12-21-9-13/h1-9,11-12,22H,10H2","","2007-09-20","2011-06-04","3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine",""],["9CH","7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione","C20 H20 Cl2 N8 O3","CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4oc(nn4)c5ccc(Cl)c(Cl)c5)c2C1=O;CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C","InChI=1S/C20H20Cl2N8O3/c1-27-16-15(18(31)28(2)20(27)32)30(19(24-16)29-7-5-23-6-8-29)10-14-25-26-17(33-14)11-3-4-12(21)13(22)9-11/h3-4,9,23H,5-8,10H2,1-2H3","","2017-05-06","2018-03-29","7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione","2018-04-04"],["SCR","SUCROSE OCTASULFATE","C12 H22 O35 S8","O=S(=O)(O)OC1C(OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O;O[S](=O)(=O)OC[CH]1O[CH](O[C]2(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1","","1999-07-08","2020-07-17","1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranoside",""],["9CI","N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide","C25 H34 N2 O2","O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3;c1ccc(cc1)C(CC(=O)NCC(CNCC2CCCCC2)O)c3ccccc3","InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m0/s1","N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide","2021-11-17","2022-11-11","~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide","2022-11-16"],["9CJ","2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","C21 H18 N2 O5","COc1cccc(CC(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O)c1;COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O","InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)","","2015-07-11","2016-01-08","2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid","2016-01-13"],["SCS","3-(ethyldisulfanyl)-L-alanine","C5 H11 N O2 S2","O=C(O)C(N)CSSCC;CCSSC[CH](N)C(O)=O;CCSSCC(C(=O)O)N","InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","3-(ethyldisulfanyl)-L-alanine",""],["SCT","(SOUTH)-METHANOCARBA-THYMIDINE","C12 H16 N2 O4","O=C1C(=CN(C(=O)N1)C32C(C(CO)C(O)C2)C3)C;CC1=CN(C(=O)NC1=O)[C]23C[CH](O)[CH](CO)[CH]2C3;CC1=CN(C(=O)NC1=O)C23CC2C(C(C3)O)CO","InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12-/m0/s1","","2003-04-03","2011-06-04","1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hex-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione",""],["9CK","1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea","C19 H22 Br N5 O2","Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c3ccccc3Br)cc1;c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br","InChI=1S/C19H22BrN5O2/c20-16-4-1-2-5-17(16)24-10-3-11-25(24)18(26)13-23-19(27)22-12-14-6-8-15(21)9-7-14/h1-2,4-9H,3,10-13,21H2,(H2,22,23,27)","","2017-05-07","2025-10-28","1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea","2018-05-30"],["SCU","N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM","C9 H18 N O3","O=CCCC(=O)OCC[N+](C)(C)C;C[N+](C)(C)CCOC(=O)CCC=O;C[N+](C)(C)CCOC(=O)CCC=O","InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1","SUCCINYLMONOCHOLINE","2006-06-14","2024-09-27","N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium",""],["9CL","(chloromethyl)benzene","C7 H7 Cl","ClCc1ccccc1;ClCc1ccccc1;c1ccc(cc1)CCl","InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2","","2009-02-16","2011-06-04","(chloromethyl)benzene",""],["SCV","N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE","C14 H22 N2 O8 S","O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)C(=O)S;CC(C)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C(S)=O)C(O)=O;CC(C)C(C(=O)O)OC(=O)C(C(=O)S)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H22N2O8S/c1-6(2)10(12(20)21)24-13(22)9(14(23)25)16-8(17)5-3-4-7(15)11(18)19/h6-7,9-10H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,23,25)/t7-,9+,10+/m0/s1","L-D-(A-AMINOADIPOYL)-L-(B-OXO)-CYSTEINE","2001-04-20","2021-03-01","N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylcarbonyl)ethyl]-6-oxo-L-lysine",""],["9CM","(2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide","C8 H11 N3 O6 S","C1(=CC(C(N)=O)N2CC1N(C2=O)OS(=O)(O)=O)C;CC1=C[CH]([N]2C[CH]1N(O[S](O)(=O)=O)C2=O)C(N)=O;CC1=CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N","InChI=1S/C8H11N3O6S/c1-4-2-5(7(9)12)10-3-6(4)11(8(10)13)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6-/m0/s1","","2017-04-19","2017-06-02","(2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide","2017-06-07"],["SCW","3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine","C18 H14 Br N5","Brc1cnc2c(cc(cn12)c3ccccc3)NCc4cncnc4;Brc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4;c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4","InChI=1S/C18H14BrN5/c19-17-10-23-18-16(22-9-13-7-20-12-21-8-13)6-15(11-24(17)18)14-4-2-1-3-5-14/h1-8,10-12,22H,9H2","","2007-09-20","2011-06-04","3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine",""],["9CO","[CoBr(appy)-Biot]Br","C39 H40 Co N8 O4 S","O.[Co].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCO[C](c3ccccn3)(c4cccc(n4)c5ccccn5)c6cccc(n6)c7ccccn7;C1C2C(C(S1)CCCCC(=O)NCCCOC34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2","InChI=1S/C39H40N8O3S.Co.H2O/c48-36(20-2-1-16-32-37-31(26-51-32)46-38(49)47-37)43-24-11-25-50-39(33-17-5-8-23-42-33,34-18-9-14-29(44-34)27-12-3-6-21-40-27)35-19-10-15-30(45-35)28-13-4-7-22-41-28;;/h3-10,12-15,17-19,21-23,31-32,37H,1-2,11,16,20,24-26H2,(H,43,48)(H2,46,47,49);;1H2/q;+1;/p-1/t31-,32-,37-;;/m0../s1","","2018-02-21","2019-03-08","","2019-03-13"],["SCX","N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine","C19 H17 F2 N7","Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)N)CC;CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F;CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F","InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)","","2007-09-20","2011-06-04","N-[(2-aminopyrimidin-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine",""],["9CP","(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide","C8 H13 N3 O6 S","O=CN1CC(NOS(=O)(=O)O)C(C)=CC1C(N)=O;CC1=C[CH](N(C[CH]1NO[S](O)(=O)=O)C=O)C(N)=O;CC1=CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)N","InChI=1S/C8H13N3O6S/c1-5-2-7(8(9)13)11(4-12)3-6(5)10-17-18(14,15)16/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7-/m0/s1","","2017-04-19","2025-03-19","(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide","2017-06-07"],["SCY","S-ACETYL-CYSTEINE","C5 H9 N O3 S","O=C(O)C(N)CSC(=O)C;CC(=O)SC[CH](N)C(O)=O;CC(=O)SCC(C(=O)O)N","InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","S-acetyl-L-cysteine",""],["9CQ","2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE","C18 H18 N4 O","CN(C)C(=O)Cc1ccc(cc1)c2nc(N)nc3ccccc23;CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N","InChI=1S/C18H18N4O/c1-22(2)16(23)11-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-10H,11H2,1-2H3,(H2,19,20,21)","","2015-09-08","2016-02-26","2-[4-(2-azanylquinazolin-4-yl)phenyl]-N,N-dimethyl-ethanamide","2016-03-02"],["SCZ","3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","C21 H19 N5","n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc4)c5ccccc5;C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5ccccc5;c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5","InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2","","2007-09-20","2011-06-04","3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",""],["9CR","(9cis)-retinoic acid","C20 H28 O2","O=C(O)C=C(C=CC=C(/C=C/C1=C(C)CCCC1(C)C)C)C;CC1=C(C=CC(C)=CC=CC(C)=CC(O)=O)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C","InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+","","2012-12-18","2012-12-21","(9cis)-retinoic acid","2012-12-21"],["SD0","(S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide","C13 H20 B N2 O6","N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O;[B-]1(OCC(CO1)(CO)N)(c2ccc(cc2)CC(C(=O)O)N)O","InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1","(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal","2023-08-30","2024-09-27","(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid","2024-05-01"],["9CS","(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE","C18 H37 N5 O10","O(C2C(O)C(OC1OC(CN)C(O)C(O)C1N)C(N)CC2N)C3OC(C(O)C(N)C3O)CO;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)N)N","InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1","Kanamycin B; Bekanamycin","2007-07-13","2020-05-26","(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",""],["SD1","2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide","C27 H31 N3 O5","O=C(N)c2ccc(cc2Nc1cc(OC)c(OC)c(OC)c1)n4c(cc3C(=O)CC(Cc34)(C)C)C;COc1cc(Nc2cc(ccc2C(N)=O)n3c(C)cc4C(=O)CC(C)(C)Cc34)cc(OC)c1OC;Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C","InChI=1S/C27H31N3O5/c1-15-9-19-21(13-27(2,3)14-22(19)31)30(15)17-7-8-18(26(28)32)20(12-17)29-16-10-23(33-4)25(35-6)24(11-16)34-5/h7-12,29H,13-14H2,1-6H3,(H2,28,32)","","2010-04-23","2011-06-04","2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide",""],["9CT","~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide","C23 H26 N4 O4","CCC(=O)Nc1ccccc1C(=O)Nc2[nH]nc(CCc3cc(OC)cc(OC)c3)c2;CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC","InChI=1S/C23H26N4O4/c1-4-22(28)24-20-8-6-5-7-19(20)23(29)25-21-13-16(26-27-21)10-9-15-11-17(30-2)14-18(12-15)31-3/h5-8,11-14H,4,9-10H2,1-3H3,(H,24,28)(H2,25,26,27,29)","","2017-05-09","2024-09-27","~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide","2018-04-04"],["SD2","N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE","C21 H30 N4 O5 S2","O=C(NC(C(=O)N)CCSC)C2N(C(=O)C(NC(=O)CS)Cc1ccc(O)cc1)CCC2;CSCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](Cc2ccc(O)cc2)NC(=O)CS)C(N)=O;CSCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(Cc2ccc(cc2)O)NC(=O)CS","InChI=1S/C21H30N4O5S2/c1-32-10-8-15(19(22)28)24-20(29)17-3-2-9-25(17)21(30)16(23-18(27)12-31)11-13-4-6-14(26)7-5-13/h4-7,15-17,26,31H,2-3,8-12H2,1H3,(H2,22,28)(H,23,27)(H,24,29)/t15-,16-,17-/m0/s1","","2003-07-10","2011-06-04","N-(sulfanylacetyl)-L-tyrosyl-L-prolyl-L-methioninamide",""],["9CU","(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","C16 H20 O5","CC3CCCC(CC1Cc2c(C(O1)=O)c(cc(c2)O)O)O3;C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1;CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m1/s1","","2018-03-14","2018-06-22","(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","2018-06-27"],["SD3","N-hydroxy-D-asparagine","C4 H8 N2 O4","N[CH](CC(=O)NO)C(O)=O;C(C(C(=O)O)N)C(=O)NO","InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1","","2009-12-31","2011-06-04","(2R)-2-azanyl-4-(hydroxyamino)-4-oxo-butanoic acid",""],["9CV","5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide","C30 H31 F N6 O2","CNC(=O)c1cnc(NC2CCN(CC2)c3ccccn3)c(NCc4ccc(F)c(Oc5ccccc5)c4)c1;CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F","InChI=1S/C30H31FN6O2/c1-32-30(38)22-18-26(34-19-21-10-11-25(31)27(17-21)39-24-7-3-2-4-8-24)29(35-20-22)36-23-12-15-37(16-13-23)28-9-5-6-14-33-28/h2-11,14,17-18,20,23,34H,12-13,15-16,19H2,1H3,(H,32,38)(H,35,36)","","2016-03-24","2016-11-25","5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide","2016-11-30"],["SD4","N-hydroxy-L-asparagine","C4 H8 N2 O4","N[CH](CC(=O)NO)C(O)=O;C(C(C(=O)O)N)C(=O)NO","InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1","","2012-03-01","2024-09-27","(2S)-2-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoic acid",""],["9CW","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H44 O4","C[CH]([CH]1CC[CH](O1)C(C)(C)O)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)C4CCC(O4)C(C)(C)O","InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25-,26-,28+/m0/s1","","2017-05-09","2017-05-19","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2017-05-24"],["SD5","5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine","C18 H21 F3 N6 O2","FC(F)(F)c1cc(ncc1c3nc(nc(N2CCOCC2)c3)N4CCOCC4)N;Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F;c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F","InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)","","2011-06-14","2011-12-30","5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine",""],["9CX","(3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","C16 H20 O5","C1(=O)OC(Cc2c1c(cc(c2)O)O)CC3CCCC(O3)C;C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1;CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m0/s1","","2018-03-14","2018-06-22","(3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one","2018-06-27"],["SD6","[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C25 H44 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2CC3CCCCC3","InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24+/m0/s1","","2022-06-29","2024-09-27","[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-07-06"],["9CY","N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide","C21 H20 N2 O2","n3ccc(c1ccc(cc1)C(=O)NC(Cc2ccccc2)CO)cc3;OC[CH](Cc1ccccc1)NC(=O)c2ccc(cc2)c3ccncc3;c1ccc(cc1)CC(CO)NC(=O)c2ccc(cc2)c3ccncc3","InChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1","","2017-04-20","2018-01-26","N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide","2018-01-31"],["SD7","4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide","C14 H19 N3 O S","COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N;CC(Cc1ccc(c2c1cc(s2)C(=N)N)OC)CN","InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m0/s1","","2022-12-15","2023-07-28","4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide","2023-08-02"],["9CZ","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H44 O4","C[CH]([CH]1CC[CH](O1)C(C)(C)O)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)C4CCC(O4)C(C)(C)O","InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25-,26+,28+/m0/s1","","2017-05-09","2017-05-19","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2017-05-24"],["SD8","2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER","C18 H20 N4 O2 S2","O=C(OCC)c1nc(sc1)N4CCN(C2=Nc3c(SC2)cccc3)CC4;CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3;CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3","InChI=1S/C18H20N4O2S2/c1-2-24-17(23)14-11-26-18(20-14)22-9-7-21(8-10-22)16-12-25-15-6-4-3-5-13(15)19-16/h3-6,11H,2,7-10,12H2,1H3","SDZ 880-061","1999-07-08","2020-06-17","ethyl 2-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylate",""],["9D0","N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","C23 H30 N4 O2 S","CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3;CCCCCCCCNCc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1;CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3","InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-7-12-24-13-17-8-10-18(11-9-17)14-25-21(28)19-15-30-23-20(19)22(29)26-16-27-23/h8-11,15-16,24H,2-7,12-14H2,1H3,(H,25,28)(H,26,27,29)","","2018-03-16","2019-03-01","N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","2019-03-06"],["SD9","Cimetidine","C10 H16 N6 S","CNC(NCCSCc1nc[nH]c1C)=NC#N;Cc1c(nc[nH]1)CSCCNC(=NC#N)NC","InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)","2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine","2023-04-11","2024-11-11","2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine","2024-09-18"],["9D1","3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol","C25 H26 N4 O S","N1(CCCC1)CCN(c3sc2cc(ccc2n3)c4ccncc4)Cc5cccc(O)c5;Oc1cccc(CN(CCN2CCCC2)c3sc4cc(ccc4n3)c5ccncc5)c1;c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5","InChI=1S/C25H26N4OS/c30-22-5-3-4-19(16-22)18-29(15-14-28-12-1-2-13-28)25-27-23-7-6-21(17-24(23)31-25)20-8-10-26-11-9-20/h3-11,16-17,30H,1-2,12-15,18H2","","2017-04-20","2018-01-26","3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol","2018-01-31"],["SDA","4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE","C6 H6 Cl2 N2 O2 S","Clc1cc(cc(Cl)c1N)S(=O)(=O)N;Nc1c(Cl)cc(cc1Cl)[S](N)(=O)=O;c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N","InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)","","2005-09-13","2011-06-04","4-amino-3,5-dichlorobenzenesulfonamide",""],["9D2","2-ethyl-2-(hydroxymethyl)propane-1,3-diol","C6 H14 O3","CCC(CO)(CO)CO;CCC(CO)(CO)CO","InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3","","2017-05-09","2017-09-15","2-ethyl-2-(hydroxymethyl)propane-1,3-diol","2017-09-20"],["SDB","(4S)-2-[(1S)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","C7 H13 N3 O3","O=C(O)C1NC(=NCC1)C(N)CO;N[CH](CO)C1=NCC[CH](N1)C(O)=O;C1CN=C(NC1C(=O)O)C(CO)N","InChI=1S/C7H13N3O3/c8-4(3-11)6-9-2-1-5(10-6)7(12)13/h4-5,11H,1-3,8H2,(H,9,10)(H,12,13)/t4-,5+/m1/s1","","2008-12-20","2020-02-14","(4S)-2-[(1S)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid",""],["9D3","N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","C19 H22 N4 O2 S","CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3;CCN(CC)Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1;CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3","InChI=1S/C19H22N4O2S/c1-3-23(4-2)10-14-7-5-13(6-8-14)9-20-17(24)15-11-26-19-16(15)18(25)21-12-22-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,22,25)","","2018-03-16","2019-03-01","N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","2019-03-06"],["SDC","S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE","C5 H12 N2 O4 S2","O=S(=O)(N)CCSCC(N)C(=O)O;N[CH](CSCC[S](N)(=O)=O)C(O)=O;C(CS(=O)(=O)N)SCC(C(=O)O)N","InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1","","2003-10-08","2011-06-04","S-(2-sulfamoylethyl)-L-cysteine",""],["9D4","N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine","C19 H14 F N3 S","n3c2ccc(c1ccncc1)cc2sc3NCc4cccc(F)c4;Fc1cccc(CNc2sc3cc(ccc3n2)c4ccncc4)c1;c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4","InChI=1S/C19H14FN3S/c20-16-3-1-2-13(10-16)12-22-19-23-17-5-4-15(11-18(17)24-19)14-6-8-21-9-7-14/h1-11H,12H2,(H,22,23)","","2017-04-20","2018-01-26","N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine","2018-01-31"],["SDD","D-sorbose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1","","2012-02-11","2020-06-24","D-sorbose",""],["9D5","2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one","C17 H19 N3 O2","CN(CCO)c1ccc(cc1)[CH]2NC(=O)c3ccccc3N2;CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2","InChI=1S/C17H19N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,16,18,21H,10-11H2,1H3,(H,19,22)/t16-/m0/s1","","2017-05-10","2018-03-16","2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one","2018-03-21"],["SDE","(S,S)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate","C14 H22 N5 O8 P","n3c1c(ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(O)(O)O;O[CH]1C[CH](O[CH]1CO[PH](O)(O)O)n2cnc3c(ncnc23)N4C[CH](O)[CH](O)C4;c1nc2c(c(n1)N3CC(C(C3)O)O)ncn2C4CC(C(O4)COP(O)(O)O)O","InChI=1S/C14H22N5O8P/c20-7-1-11(27-10(7)4-26-28(23,24)25)19-6-17-12-13(15-5-16-14(12)19)18-2-8(21)9(22)3-18/h5-11,20-25,28H,1-4H2/t7-,8-,9-,10+,11+/m0/s1","","2014-01-07","2014-05-23","(3S,4S)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol (non-preferred name)","2014-05-28"],["9D6","N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","C23 H28 N4 O2 S","C1CCCCC1N(Cc2ccc(cc2)CNC(c4c3c(N=CNC3=O)sc4)=O)CC;CCN(Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1)C4CCCCC4;CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4","InChI=1S/C23H28N4O2S/c1-2-27(18-6-4-3-5-7-18)13-17-10-8-16(9-11-17)12-24-21(28)19-14-30-23-20(19)22(29)25-15-26-23/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,24,28)(H,25,26,29)","","2018-03-16","2019-03-01","N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide","2019-03-06"],["SDF","[(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid","C7 H7 Cl2 O3 P S","Clc1cc(Cl)ccc1C(S)P(=O)(O)O;O[P](O)(=O)[CH](S)c1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S","InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,7,14H,(H2,10,11,12)/t7-/m1/s1","alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acid","2009-08-19","2021-03-13","[(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid",""],["9D7","[4-(15-phenylporphyrin-5-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)benzoato(2-)]zinc","C33 H20 N4 O2 Zn","C1=CC=3N2=C1C(=C7N6[Zn]25n4c(ccc4C=3)C(=C8N5=C(C=C6C=C7)C=C8)c9ccc(cc9)C(O)=O)c%10ccccc%10;OC(=O)c1ccc(cc1)C2=C3C=CC(=N3)C=C4C=CC5=C(c6ccccc6)C7=NC(=Cc8ccc2n8[Zn][N]45)C=C7;c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5","InChI=1S/C33H21N4O2.Zn/c38-33(39)22-8-6-21(7-9-22)32-29-16-12-25(36-29)18-23-10-14-27(34-23)31(20-4-2-1-3-5-20)28-15-11-24(35-28)19-26-13-17-30(32)37-26;/h1-19H,(H2-,34,35,36,37,38,39);/q-1;+2/p-1/b23-18-,24-19-,25-18-,26-19-,31-27-,31-28-,32-29-,32-30-;","","2017-04-20","2018-04-20","[4-(15-phenylporphyrin-5-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)benzoato(2-)]zinc","2018-04-25"],["9D8","4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide","C23 H23 Cl N2 O3 S","CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3cccc(Cl)c3;CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl","InChI=1S/C23H23ClN2O3S/c1-2-15-26(17-18-7-4-3-5-8-18)23(27)19-11-13-22(14-12-19)30(28,29)25-21-10-6-9-20(24)16-21/h3-14,16,25H,2,15,17H2,1H3","","2017-05-10","2017-05-19","4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide","2017-05-24"],["SDG","2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine-6-selenol","C10 H14 N5 O6 P Se","O=P(O)(O)OCC3OC(n2cnc1c([SeH])nc(nc12)N)CC3O;Nc1nc([SeH])c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2[SeH])N","InChI=1S/C10H14N5O6PSe/c11-10-13-8-7(9(23)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(17,18)19/h3-6,16H,1-2H2,(H2,17,18,19)(H3,11,13,14,23)/t4-,5+,6+/m0/s1","","2007-12-07","2011-06-04","2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine-6-selenol",""],["SDH","(5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione","C10 H16 N5 O9 P","O=C2NC(=O)N(C21NC(=NC1=O)N)C3OC(C(O)C3)COP(O)(O)O;NC1=NC(=O)[C]2(N1)N([CH]3C[CH](O)[CH](CO[PH](O)(O)O)O3)C(=O)NC2=O;C1C(C(OC1N2C(=O)NC(=O)C23C(=O)N=C(N3)N)COP(O)(O)O)O","InChI=1S/C10H16N5O9P/c11-8-12-6(17)10(14-8)7(18)13-9(19)15(10)5-1-3(16)4(24-5)2-23-25(20,21)22/h3-5,16,20-22,25H,1-2H2,(H,13,18,19)(H3,11,12,14,17)/t3-,4+,5+,10+/m0/s1","","2014-02-28","2014-03-28","(5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione","2014-04-02"],["9D9","[5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid","C11 H15 F2 N4 O4 P","OP(O)(=O)C(CCCCc1c2c(nc1)C(NC(=N2)N)=O)(F)F;NC1=Nc2c(CCCCC(F)(F)[P](O)(O)=O)c[nH]c2C(=O)N1;c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O","InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)","DFPP-DG","2009-02-09","2021-03-01","[5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid",""],["9DA","9-DEAZAADENINE","C6 H6 N4","n1c(c2c(nc1)ccn2)N;Nc1ncnc2cc[nH]c12;c1c[nH]c2c1ncnc2N","InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)","","2002-02-25","2011-06-04","5H-pyrrolo[3,2-d]pyrimidin-4-amine",""],["SDJ","(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal","C25 H35 N5 O2","O=C(N3C(CNC(C=O)Cc1ncnc1)CC2CCCCC2C3)CCNc4ccccc4;O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC[CH]3CN2C(=O)CCNc4ccccc4;c1ccc(cc1)NCCC(=O)N2CC3CCCCC3CC2CNC(Cc4cnc[nH]4)C=O","InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23+,24+/m1/s1","","2015-07-03","2024-09-27","(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal","2016-06-22"],["9DB","(2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide","C22 H25 N7 O2","Cn1cc(cn1)c2[nH]c3cc(NC(=O)[CH](N)C4CCCCC4)cc5C(=O)NN=Cc2c35;Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)C(C5CCCCC5)N)C(=O)NN=C3","InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1","","2017-05-10","2017-05-19","(2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide","2017-05-24"],["SDK","1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE","C31 H42 N4 O7","O=C(OCc1ccccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2;CC(C)CC(C(=O)NCC(=O)CNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2","InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1","SYMMETRIC DIACYLAMINOETHYL KETONE","1999-07-08","2024-09-27","benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name)",""],["SDL","2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione","C13 H17 N5 O6","NC1=NC2=C(N(CC=C)C(=O)N2[CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N1;C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)C3C(C(C(O3)CO)O)O","InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1","Loxoribine","2016-07-26","2021-03-01","2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione","2016-11-02"],["9DC","(2S)-2,3-disulfanylpropan-1-ol","C3 H8 O S2","OCC(S)CS;OC[CH](S)CS;C(C(CS)S)O","InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m0/s1","","2018-03-20","2019-03-15","(2S)-2,3-disulfanylpropan-1-ol","2019-03-20"],["SDM","4-ethoxy-1-benzothiophene-2-carboximidamide","C11 H12 N2 O S","N=C(N)c1cc2c(cccc2s1)OCC;CCOc1cccc2sc(cc12)C(N)=N;CCOc1cccc2c1cc(s2)C(=N)N","InChI=1S/C11H12N2OS/c1-2-14-8-4-3-5-9-7(8)6-10(15-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13)","","2022-12-15","2024-09-16","4-ethoxy-1-benzothiophene-2-carboximidamide","2023-08-02"],["9DE","4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide","C12 H11 Br N2 O4 S2","N[S](=O)(=O)c1ccc(N[S](=O)(=O)c2ccc(Br)cc2)cc1;c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N","InChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)","","2017-05-10","2018-01-12","4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide","2018-01-17"],["SDN","[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid","C16 H14 O5","O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=O)O)C;CC1=C2C(=Cc3cccc(O)c3C2=O)C[CH](CC(O)=O)O1;CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)CC(=O)O","InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1","4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid","2007-11-30","2021-03-13","[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid",""],["9DF","(6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C27 H33 F3 N4 O3","CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC(F)(F)F)Cc3cccc4c3cccc4","InChI=1S/C27H33F3N4O3/c1-3-18(2)24-25(36)32(16-20-10-6-9-19-8-4-5-11-21(19)20)17-22-33(15-12-23(35)34(22)24)26(37)31-14-7-13-27(28,29)30/h4-6,8-11,18,22,24H,3,7,12-17H2,1-2H3,(H,31,37)/t18-,22+,24-/m0/s1","","2022-01-13","2022-11-11","(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2022-11-16"],["9DG","9-DEAZAGUANINE","C6 H6 N4 O","O=C1c2c(N=C(N1)N)ccn2;NC1=Nc2cc[nH]c2C(=O)N1;c1c[nH]c2c1N=C(NC2=O)N","InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)","","2000-01-11","2011-06-04","2-amino-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["SDO","N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide","C19 H35 N2 O8 P S","O=C(NCCSCCC(=O)CCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(O)O;CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)COP(O)O;CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)O)O","InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1","","2014-10-16","2024-09-27","N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide","2015-10-21"],["SDP","2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID","C7 H16 N O6 P","O=C(O)C(N)COP(=O)(OCC)OCC;CCO[P](=O)(OCC)OC[CH](N)C(O)=O;CCOP(=O)(OCC)OCC(C(=O)O)N","InChI=1S/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1","","2002-10-22","2024-09-27","O-(diethoxyphosphoryl)-L-serine",""],["9DH","2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide","C15 H17 N3 O3 S","CN(CC(=O)Nc1ccc(cc1)[S](N)(=O)=O)c2ccccc2;CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2","InChI=1S/C15H17N3O3S/c1-18(13-5-3-2-4-6-13)11-15(19)17-12-7-9-14(10-8-12)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)","","2017-05-10","2018-01-12","2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide","2018-01-17"],["SDQ","phenylmethanethiol","C7 H8 S","SCc1ccccc1;c1ccc(cc1)CS","InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2","","2020-11-13","2024-09-27","phenylmethanethiol","2021-04-21"],["9DI","9-DEAZAINOSINE","C11 H13 N3 O5","O=C1NC=Nc2c1ncc2C3OC(CO)C(O)C3O;OC[CH]1O[CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC=Nc23;c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(O3)CO)O)O","InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1","","1999-07-08","2011-06-04","(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-D-ribitol",""],["SDR","(2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid","C15 H26 N2 O6","O=C(NC(C(=O)O)CCCCCCC)C(NC(=O)C)CC(=O)O;CCCCCCC[CH](NC(=O)[CH](CC(O)=O)NC(C)=O)C(O)=O;CCCCCCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C","InChI=1S/C15H26N2O6/c1-3-4-5-6-7-8-11(15(22)23)17-14(21)12(9-13(19)20)16-10(2)18/h11-12H,3-9H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)(H,22,23)/t11-,12-/m0/s1","","2011-07-15","2011-09-30","(2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid",""],["9DJ","3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid","C24 H25 N3 O2","c1cc(C(O)=O)c(cn1)NCC2CCCc3c2ccc(c3)N(c4ccccc4)C;CN(c1ccccc1)c2ccc3[CH](CCCc3c2)CNc4cnccc4C(O)=O;CN(c1ccccc1)c2ccc3c(c2)CCCC3CNc4cnccc4C(=O)O","InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1","","2017-04-20","2017-09-22","3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid","2017-09-27"],["SDS","DODECYL SULFATE","C12 H26 O4 S","O=S(=O)(OCCCCCCCCCCCC)O;CCCCCCCCCCCCO[S](O)(=O)=O;CCCCCCCCCCCCOS(=O)(=O)O","InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)","","2002-06-20","2011-06-04","dodecyl hydrogen sulfate",""],["9DK","3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid","C10 H15 N3 O3","CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1;CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O","InChI=1S/C10H15N3O3/c1-10(2,9(15)16)8(14)12-4-3-7-5-11-6-13-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)","","2017-05-11","2024-09-27","3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid","2017-06-14"],["SDT","3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione","C19 H24 O4","O=C3C(CCc1c(ccc(O)c1O)C)C2C(C(=O)CC2)(CC3)C;Cc1ccc(O)c(O)c1CC[CH]2[CH]3CCC(=O)[C]3(C)CCC2=O;Cc1ccc(c(c1CCC2C3CCC(=O)C3(CCC2=O)C)O)O","InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1","3,4-dhsa","2008-02-14","2020-06-17","3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione",""],["9DL","5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide","C14 H21 N3 O3","O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO;CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1;CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1","InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18)","","2021-10-06","2022-09-30","5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide","2022-10-05"],["SDU","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid","C18 H28 N8 O5","N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4CCNC4)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)C4CCNC4)O)O)N","InChI=1S/C18H28N8O5/c19-10(18(29)30)2-4-25(9-1-3-21-5-9)6-11-13(27)14(28)17(31-11)26-8-24-12-15(20)22-7-23-16(12)26/h7-11,13-14,17,21,27-28H,1-6,19H2,(H,29,30)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1","","2023-08-30","2024-09-06","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid","2024-09-11"],["9DN","DANSYL-L-ASPARAGINE","C16 H19 N3 O5 S","O=C(N)CC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CC(N)=O)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)N)C(=O)O","InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1","","2010-10-28","2019-05-07","N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-asparagine",""],["SDV","N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide","C21 H17 F N4 O2","Fc1ccccc1n2ncc3[CH](CCCc23)NC(=O)c4onc5ccccc45;c1ccc2c(c1)c(on2)C(=O)NC3CCCc4c3cnn4c5ccccc5F","InChI=1S/C21H17FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h1-4,6-8,10,12,16H,5,9,11H2,(H,24,27)/t16-/m1/s1","","2015-12-18","2018-03-23","N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide","2018-03-28"],["9DO","(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","C32 H37 F N4 O5","COC[CH](O)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5;COCC(c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NCC3CC(CN3C(=O)C4CC4)NC(=O)C5CC(CN5)F)O","InChI=1S/C32H37FN4O5/c1-42-19-29(38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1","(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-1-hydroxy-2-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide","2021-11-11","2022-10-28","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-11-02"],["SDW","2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine","C17 H14 I N3","Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1;c1ccc2c(c1)c(nc(n2)C3CC3)Nc4ccc(cc4)I","InChI=1S/C17H14IN3/c18-12-7-9-13(10-8-12)19-17-14-3-1-2-4-15(14)20-16(21-17)11-5-6-11/h1-4,7-11H,5-6H2,(H,19,20,21)","","2020-11-13","2022-05-27","2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine","2022-06-01"],["9DP","(3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","C24 H25 Cl2 N5 O3","Clc1cccc(c1Cl)NC(=O)Nc4cc(nn4c2ccc3c(c2)CC(C(=O)O)NC3)C(C)(C)C;CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)c3ccc4CN[CH](Cc4c3)C(O)=O;CC(C)(C)c1cc(n(n1)c2ccc3c(c2)CC(NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl","InChI=1S/C24H25Cl2N5O3/c1-24(2,3)19-11-20(29-23(34)28-17-6-4-5-16(25)21(17)26)31(30-19)15-8-7-13-12-27-18(22(32)33)10-14(13)9-15/h4-9,11,18,27H,10,12H2,1-3H3,(H,32,33)(H2,28,29,34)/t18-/m0/s1","","2011-02-18","2011-06-04","(3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid",""],["SDX","s-citryldethia Coenzyme A","C28 H46 N7 O22 P3","O=C(O)C(O)(CC(=O)O)CC(=O)CCCNC(=O)CCNC(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)[CH](O)NCCC(=O)NCCCC(=O)C[C](O)(CC(O)=O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(NCCC(=O)NCCCC(=O)CC(CC(=O)O)(C(=O)O)O)O)O","InChI=1S/C28H46N7O22P3/c1-27(2,21(41)24(42)31-7-5-16(37)30-6-3-4-14(36)8-28(45,26(43)44)9-17(38)39)11-54-60(51,52)57-59(49,50)53-10-15-20(56-58(46,47)48)19(40)25(55-15)35-13-34-18-22(29)32-12-33-23(18)35/h12-13,15,19-21,24-25,31,40-42,45H,3-11H2,1-2H3,(H,30,37)(H,38,39)(H,43,44)(H,49,50)(H,51,52)(H2,29,32,33)(H2,46,47,48)/t15-,19-,20-,21+,24+,25-,28-/m1/s1","","2008-09-16","2011-06-04","(2R)-2-{(11S,12R,16R,18S)-20-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-11,12,16,18-tetrahydroxy-13,13-dimethyl-16,18-dioxido-2,7-dioxo-15,17,19-trioxa-6,10-diaza-16,18-diphosphaicos-1-yl}-2-hydroxybutanedioic acid (non-preferred name)",""],["9DQ","(2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid","C4 H7 N5 O2","N[CH](Cc1[nH]nnn1)C(O)=O;C(c1[nH]nnn1)C(C(=O)O)N","InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1","","2017-05-11","2024-09-27","(2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid","2017-06-14"],["SDY","beta-D-talopyranose","C6 H12 O6","OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6-/m1/s1","beta-D-talose; D-talose; talose; beta-D-talopyranosose","2020-03-06","2020-07-17","(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","2020-07-29"],["9DR","6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine","C21 H21 N5 O","n3c(c(C#CCc2cc(c1ccncc1)cc(OC)c2)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccncc3;CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3","InChI=1S/C21H21N5O/c1-3-19-18(20(22)26-21(23)25-19)6-4-5-14-11-16(13-17(12-14)27-2)15-7-9-24-10-8-15/h7-13H,3,5H2,1-2H3,(H4,22,23,25,26)","","2011-06-08","2012-06-08","6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine",""],["SDZ","1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE","C24 H33 N3 O2","OC(CN2CCN(c1ncccc1)CC2)COc3ccc(cc3)C4CCCCC4;O[CH](COc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4;c1ccnc(c1)N2CCN(CC2)CC(COc3ccc(cc3)C4CCCCC4)O","InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1","","1999-07-08","2011-06-04","(2S)-1-(4-cyclohexylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol",""],["9DS","DANSYL-L-SARCOSINE","C15 H18 N2 O4 S","O=C(O)CN(C)S(=O)(=O)c1cccc2c1cccc2N(C)C;CN(C)c1cccc2c1cccc2[S](=O)(=O)N(C)CC(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)O","InChI=1S/C15H18N2O4S/c1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h4-9H,10H2,1-3H3,(H,18,19)","","2010-10-27","2011-06-04","N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-N-methylglycine",""],["SE","SELENIUM ATOM","Se","[Se];[SeH2]","InChI=1S/H2Se/h1H2","","2000-08-08","2024-09-27","hydrogen selenide",""],["9DT","(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid","C10 H12 F N O2","C[C](N)(Cc1ccccc1F)C(O)=O;CC(Cc1ccccc1F)(C(=O)O)N","InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1","","2017-05-11","2025-11-27","(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid","2017-06-14"],["SE0","(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2R)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C17 H23 N3 O7 S2","O=C(NC(C(=O)OCC(C(=O)O)N)C1N=C(C(=O)O)C(=C)CS1)CC2SCCC2;N[CH](COC(=O)[CH](NC(=O)C[CH]1CCCS1)[CH]2SCC(=C)C(=N2)C(O)=O)C(O)=O;C=C1CSC(N=C1C(=O)O)C(C(=O)OCC(C(=O)O)N)NC(=O)CC2CCCS2","InChI=1S/C17H23N3O7S2/c1-8-7-29-14(20-12(8)16(24)25)13(17(26)27-6-10(18)15(22)23)19-11(21)5-9-3-2-4-28-9/h9-10,13-14H,1-7,18H2,(H,19,21)(H,22,23)(H,24,25)/t9-,10+,13+,14-/m1/s1","","2008-03-27","2011-06-04","(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2R)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["9DU","(2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide","C11 H15 N O S","C[CH](CS)C(=O)NCc1ccccc1;CC(CS)C(=O)NCc1ccccc1","InChI=1S/C11H15NOS/c1-9(8-14)11(13)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,12,13)/t9-/m0/s1","","2018-03-20","2019-03-15","(2~{R})-2-methyl-~{N}-(phenylmethyl)-3-sulfanyl-propanamide","2019-03-20"],["SE1","2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid","C23 H25 N O4 S2","O=C(O)c1ccccc1Sc1ccccc1S(=O)(=O)NC12CC3CC(C1)CC(C2)C3;OC(=O)c1ccccc1Sc2ccccc2[S](=O)(=O)NC34CC5CC(CC(C5)C3)C4;c1ccc(c(c1)C(=O)O)Sc2ccccc2S(=O)(=O)NC34CC5CC(C3)CC(C5)C4","InChI=1S/C23H25NO4S2/c25-22(26)18-5-1-2-6-19(18)29-20-7-3-4-8-21(20)30(27,28)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)/t15-,16+,17-,23-","","2022-06-30","2023-06-30","2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid","2023-07-05"],["9DW","(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid","C18 H21 N O3","CCc1cc(OC)ccc1c2ccc(C[CH](N)C(O)=O)cc2;CCc1cc(ccc1c2ccc(cc2)CC(C(=O)O)N)OC","InChI=1S/C18H21NO3/c1-3-13-11-15(22-2)8-9-16(13)14-6-4-12(5-7-14)10-17(19)18(20)21/h4-9,11,17H,3,10,19H2,1-2H3,(H,20,21)/t17-/m0/s1","","2017-05-11","2024-09-27","(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid","2017-06-14"],["SE2","3-HYDROXY-2H-CHROMEN-2-ONE","C9 H6 O3","O=C2Oc1ccccc1C=C2O;OC1=Cc2ccccc2OC1=O;c1ccc2c(c1)C=C(C(=O)O2)O","InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H","","2013-02-15","2014-09-05","3-hydroxy-2H-chromen-2-one","2013-05-15"],["9DX","(2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid","C11 H17 N O7","O=C(O)C(N)CC2(OC1C(OCCC1O)C2)C(=O)O;N[CH](C[C]1(C[CH]2OCC[CH](O)[CH]2O1)C(O)=O)C(O)=O;C1COC2CC(OC2C1O)(CC(C(=O)O)N)C(=O)O","InChI=1S/C11H17NO7/c12-5(9(14)15)3-11(10(16)17)4-7-8(19-11)6(13)1-2-18-7/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6+,7+,8+,11+/m0/s1","","2009-01-20","2011-06-04","(2R,3aR,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-7-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)",""],["SE3","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide","C21 H21 Cl N4 O S","CC(C)(Nc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Nc3ccc(cc3)Cl","InChI=1S/C21H21ClN4OS/c1-21(2,26-16-8-6-15(22)7-9-16)20(27)25-17-5-3-4-13(10-17)14-11-18(19(23)24)28-12-14/h3-12,26H,1-2H3,(H3,23,24)(H,25,27)","","2022-12-15","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide","2023-08-02"],["9DY","4-(1,2,3-thiadiazol-4-yl)pyridine","C7 H5 N3 S","c1(csnn1)c2ccncc2;s1cc(nn1)c2ccncc2;c1cnccc1c2csnn2","InChI=1S/C7H5N3S/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H","","2017-04-21","2021-07-30","4-(1,2,3-thiadiazol-4-yl)pyridine","2021-08-04"],["SE4","SELENATE ION","O4 Se","[O-][Se]([O-])(=O)=O;[O-][Se]([O-])(=O)=O;[O-][Se](=O)(=O)[O-]","InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2","","1999-07-08","2011-06-04","selenate",""],["9DZ","(2~{S})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide","C13 H20 N2 O","Cc1cc(C)cc(CCC[CH](N)C(N)=O)c1;Cc1cc(cc(c1)CCCC(C(=O)N)N)C","InChI=1S/C13H20N2O/c1-9-6-10(2)8-11(7-9)4-3-5-12(14)13(15)16/h6-8,12H,3-5,14H2,1-2H3,(H2,15,16)/t12-/m0/s1","","2017-05-11","2024-09-27","(2~{S})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide","2017-06-14"],["SE5","4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid","C13 H12 Cl N O2","O=C(O)c1cc(cn1)CCc2ccc(Cl)cc2;OC(=O)c1[nH]cc(CCc2ccc(Cl)cc2)c1;c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl","InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)","","2013-02-15","2014-09-05","4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid","2013-05-15"],["9E0","(5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid","C12 H11 N O2 S","C[CH]1[CH](Sc2cccc3[nH]cc1c23)C(O)=O;CC1c2c[nH]c3c2c(ccc3)SC1C(=O)O","InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1","","2018-03-21","2021-07-16","(5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid","2021-07-21"],["SE6","[(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate","C7 H14 O8 P2","OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O;C=CCC(=CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C7H14O8P2/c1-2-3-7(6-8)4-5-14-17(12,13)15-16(9,10)11/h2,4,8H,1,3,5-6H2,(H,12,13)(H2,9,10,11)/b7-4+","","2023-04-11","2023-09-08","[(2~{E})-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate","2023-09-13"],["9E1","2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide","C18 H20 N6 O4 S","n1ncn(C(C)C)c1c3cccc(NC(=O)c2cc(ccc2OC)S(=O)(=O)N)n3;COc1ccc(cc1C(=O)Nc2cccc(n2)c3nncn3C(C)C)[S](N)(=O)=O;CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N","InChI=1S/C18H20N6O4S/c1-11(2)24-10-20-23-17(24)14-5-4-6-16(21-14)22-18(25)13-9-12(29(19,26)27)7-8-15(13)28-3/h4-11H,1-3H3,(H2,19,26,27)(H,21,22,25)","","2017-04-21","2018-01-12","2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide","2018-01-17"],["SE7","2-AMINO-3-SELENINO-PROPIONIC ACID","C3 H7 N O4 Se","O=C(O)C(N)C[Se](=O)O;N[CH](C[Se](O)=O)C(O)=O;C(C(C(=O)O)N)[Se](=O)O","InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1","","2013-12-19","2024-09-27","3-selenino-L-alanine","2013-12-25"],["9E2","2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide","C12 H12 Cl N5 O5 S","Cc1n(CC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nc(c1Cl)[N+]([O-])=O;Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl","InChI=1S/C12H12ClN5O5S/c1-7-11(13)12(18(20)21)16-17(7)6-10(19)15-8-2-4-9(5-3-8)24(14,22)23/h2-5H,6H2,1H3,(H,15,19)(H2,14,22,23)","","2017-05-11","2018-01-12","2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide","2018-01-17"],["SE8","5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid","C16 H24 N4 O11","O=C(NCC(C(=O)O)N)CC(O)(C(=O)O)CC(=O)NCCNC(=O)CCC(=O)C(=O)O;N[CH](CNC(=O)C[C](O)(CC(=O)NCCNC(=O)CCC(=O)C(O)=O)C(O)=O)C(O)=O;C(CC(=O)NCCNC(=O)CC(CC(=O)NCC(C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O","InChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t8-,16-/m0/s1","Staphyloferrin B","2010-05-14","2021-03-01","5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid",""],["9E3","5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol","C13 H10 F N3 O","Oc1ccc(Cn2cnc(F)c2)c3cccnc13;c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F","InChI=1S/C13H10FN3O/c14-12-7-17(8-16-12)6-9-3-4-11(18)13-10(9)2-1-5-15-13/h1-5,7-8,18H,6H2","","2018-03-21","2018-12-07","5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol","2018-12-12"],["SE9","(2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide","C20 H17 F3 N4 O4","OC1=C(N=C(NC1=O)c1cccc(c1)C(F)(F)F)C(=O)NCCc1ccnc(OC)c1;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1;COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)O","InChI=1S/C20H17F3N4O4/c1-31-14-9-11(5-7-24-14)6-8-25-18(29)15-16(28)19(30)27-17(26-15)12-3-2-4-13(10-12)20(21,22)23/h2-5,7,9-10,28H,6,8H2,1H3,(H,25,29)(H,26,27,30)","","2022-06-30","2022-09-09","(2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide","2022-09-14"],["9E4","4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide","C20 H22 N6 O3","n1ncn(C(C)C)c1c3cccc(NC(=O)c2cc(C(=O)NC)ccc2OC)n3;CNC(=O)c1ccc(OC)c(c1)C(=O)Nc2cccc(n2)c3nncn3C(C)C;CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC","InChI=1S/C20H22N6O3/c1-12(2)26-11-22-25-18(26)15-6-5-7-17(23-15)24-20(28)14-10-13(19(27)21-3)8-9-16(14)29-4/h5-12H,1-4H3,(H,21,27)(H,23,24,28)","","2017-04-21","2018-01-12","4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide","2018-01-17"],["SEA","THIOETHYLAMINE","C2 H7 N S","SCCN;NCCS;C(CS)N","InChI=1/C2H7NS/c3-1-2-4/h4H,1-3H2","","1999-07-08","2008-10-14","2-aminoethanethiol",""],["9E5","3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide","C19 H20 N2 O4 S","Cc1ccc2c(C)c(oc2c1C)C(=O)NCc3ccc(cc3)[S](N)(=O)=O;Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C","InChI=1S/C19H20N2O4S/c1-11-4-9-16-13(3)18(25-17(16)12(11)2)19(22)21-10-14-5-7-15(8-6-14)26(20,23)24/h4-9H,10H2,1-3H3,(H,21,22)(H2,20,23,24)","","2017-05-11","2018-01-12","3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide","2018-01-17"],["SEB","O-BENZYLSULFONYL-SERINE","C10 H13 N O5 S","O=C(O)C(N)COS(=O)(=O)Cc1ccccc1;N[CH](CO[S](=O)(=O)Cc1ccccc1)C(O)=O;c1ccc(cc1)CS(=O)(=O)OCC(C(=O)O)N","InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1","","1999-08-12","2024-09-27","O-(benzylsulfonyl)-L-serine",""],["9E6","5-chloro thiophene-3-carboxylic acid","C5 H3 Cl O2 S","OC(=O)c1csc(Cl)c1;c1c(csc1Cl)C(=O)O","InChI=1S/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)","5-chloranylthiophene-3-carboxylic acid","2018-03-21","2020-06-17","5-chloranylthiophene-3-carboxylic acid","2018-10-10"],["SEC","SELENOCYSTEINE","C3 H7 N O2 Se","O=C(O)C(N)C[SeH];N[CH](C[SeH])C(O)=O;C(C(C(=O)O)N)[SeH]","InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","3-selanyl-L-alanine",""],["9E7","N~6~-(sulfanylmethyl)-L-lysine","C7 H16 N2 O2 S","C(O)(C(N)CCCCNCS)=O;N[CH](CCCCNCS)C(O)=O;C(CCNCS)CC(C(=O)O)N","InChI=1S/C7H16N2O2S/c8-6(7(10)11)3-1-2-4-9-5-12/h6,9,12H,1-5,8H2,(H,10,11)/t6-/m0/s1","","2017-04-24","2024-09-27","N~6~-(sulfanylmethyl)-L-lysine","2018-04-25"],["SEE","trihydroxy(L-serinato-kappaO~3~)borate(1-)","C3 H9 B N O6","O=C(O)C(N)CO[B-](O)(O)O;N[CH](CO[B-](O)(O)O)C(O)=O;[B-](O)(O)(O)OCC(C(=O)O)N","InChI=1S/C3H9BNO6/c5-2(3(6)7)1-11-4(8,9)10/h2,8-10H,1,5H2,(H,6,7)/q-1/t2-/m0/s1","","2009-03-03","2024-09-27","trihydroxy(L-serinato-kappaO~3~)borate(1-)",""],["9E8","1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea","C15 H16 Cl N3 O3 S","N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1;c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N","InChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)","","2017-05-11","2018-01-12","1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea","2018-01-17"],["SEF","ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate","C20 H37 F N O4 P","FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C;CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C;CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F","InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1","","2013-03-22","2024-09-27","ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate","2013-04-10"],["9E9","5-chloro thiophene-2-carboxylic acid","C5 H3 Cl O2 S","OC(=O)c1sc(Cl)cc1;c1cc(sc1C(=O)O)Cl","InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)","5-chloranylthiophene-2-carboxylic acid","2018-03-21","2021-03-01","5-chloranylthiophene-2-carboxylic acid","2018-10-10"],["9EA","7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid","C46 H46 N6 O5","c2cc(c1ccccc1c2)OCCCc7c6cccc(c3c(n(C)nc3COc4ccc(cc4)N5CCN(C(C)=O)CC5)C)c6n(c7C(O)=O)Cc8cnccc8;Cn1nc(COc2ccc(cc2)N3CCN(CC3)C(C)=O)c(c1C)c4cccc5c(CCCOc6cccc7ccccc67)c(n(Cc8cccnc8)c45)C(O)=O;Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8","InChI=1S/C46H46N6O5/c1-31-43(41(48-49(31)3)30-57-36-20-18-35(19-21-36)51-25-23-50(24-26-51)32(2)53)40-15-7-14-38-39(16-9-27-56-42-17-6-12-34-11-4-5-13-37(34)42)45(46(54)55)52(44(38)40)29-33-10-8-22-47-28-33/h4-8,10-15,17-22,28H,9,16,23-27,29-30H2,1-3H3,(H,54,55)","","2017-04-24","2017-04-28","7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid","2017-05-03"],["SEG","HYDROXYALANINE","C3 H7 N O3","O=C(O)C(N)CO;N[CH](CO)C(O)=O;C(C(C(=O)O)N)O","InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/f/h6H","","1999-07-08","2009-01-07","L-serine",""],["9EB","4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide","C15 H15 Cl N2 O4 S","C[CH](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O;CC(c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl","InChI=1S/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m1/s1","","2017-05-11","2018-01-12","4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide","2018-01-17"],["SEH","S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE","C10 H13 N O4 S2","O=S(=O)(O)ON=C(/SCC)Cc1ccccc1;CCSC(Cc1ccccc1)=NO[S](O)(=O)=O;CCSC(=NOS(=O)(=O)O)Cc1ccccc1","InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10-","ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE","2004-10-08","2021-03-01","ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate",""],["SEI","1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE","C29 H37 F5 N4 O6","O=C(c2ccc(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C)CCC1)C(C)C)cc2)N3CCOCC3;CC(C)[CH](NC(=O)c1ccc(cc1)C(=O)N2CCOCC2)C(=O)N3CCC[CH]3C(=O)N[CH](C(C)C)C(=O)C(F)(F)C(F)(F)F;CC(C)C(C(=O)C(C(F)(F)F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3","InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m0/s1","MDL 101,146","1999-07-08","2024-09-27","N-{[4-(morpholin-4-ylcarbonyl)phenyl]carbonyl}-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide",""],["9EC","(1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium","C20 H22 F N2 O3 S","c1(cc(ccc1NC(=O)OC2CC3C4C(C(C2)[N+]3(C)C)O4)F)c5cccs5;C[N+]1(C)[CH]2C[CH](C[CH]1[CH]3O[CH]23)OC(=O)Nc4ccc(F)cc4c5sccc5;C[N+]1(C2CC(CC1C3C2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C","InChI=1S/C20H21FN2O3S/c1-23(2)15-9-12(10-16(23)19-18(15)26-19)25-20(24)22-14-6-5-11(21)8-13(14)17-4-3-7-27-17/h3-8,12,15-16,18-19H,9-10H2,1-2H3/p+1/t12-,15-,16+,18-,19+","","2018-03-22","2018-11-23","(1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium","2018-11-28"],["SEJ","beta-D-arabinopyranose","C5 H10 O5","O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m1/s1","beta-D-arabinose; D-arabinose; arabinose","2020-03-06","2020-07-17","(2~{R},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol","2020-07-29"],["9ED","[(2R)-2-[(E)-octadec-9-enoyl]oxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (E)-octadec-9-enoate","C45 H85 O19 P3","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17+,20-18+/t37-,40-,41+,42+,43-,44-,45-/m1/s1","PtdIns(4,5)P2","2022-01-14","2024-09-19","[(2~{R})-2-[(~{E})-octadec-9-enoyl]oxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (~{E})-octadec-9-enoate","2024-09-19"],["9EE","adipamide","C6 H12 N2 O2","NC(=O)CCCCC(N)=O;C(CCC(=O)N)CC(=O)N","InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)","","2017-05-11","2018-06-08","hexanediamide","2018-06-13"],["SEK","SELENOCYANATE ION","C N Se","[Se-]C#N;[Se-]C#N;C(#N)[Se-]","InChI=1S/CHNSe/c2-1-3/h3H/p-1","","2006-05-24","2011-06-04","selenocyanate",""],["SEL","2-AMINO-1,3-PROPANEDIOL","C3 H9 N O2","OCC(N)CO;NC(CO)CO;C(C(CO)N)O","InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2","SERINOL","1999-10-14","2024-09-27","2-aminopropane-1,3-diol",""],["9EF","N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C13 H26 N3 O8 P","O=P(O)(O)OCC(C)(C(C(NCCC(=O)NCCNC(=O)C)=O)O)C;CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C13H26N3O8P/c1-9(17)14-6-7-15-10(18)4-5-16-12(20)11(19)13(2,3)8-24-25(21,22)23/h11,19H,4-8H2,1-3H3,(H,14,17)(H,15,18)(H,16,20)(H2,21,22,23)/t11-/m0/s1","","2018-03-27","2024-09-27","N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2018-06-13"],["SEM","O-benzyl-L-serine","C10 H13 N O3","O=C(O)C(N)COCc1ccccc1;N[CH](COCc1ccccc1)C(O)=O;c1ccc(cc1)COCC(C(=O)O)N","InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1","(2S)-2-azanyl-3-phenylmethoxy-propanoic acid","1999-07-08","2024-09-27","O-benzyl-L-serine",""],["9EG","N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea","C13 H9 Cl3 N2 O","c2c(NC(Nc1ccc(Cl)cc1)=O)ccc(c2Cl)Cl;Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1;c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl","InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)","","2017-04-26","2018-04-20","N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea","2018-04-25"],["SEN","O-[N,N-dimethylphosphoramidate]-L-serine","C5 H13 N2 O5 P","O=P(O)(OCC(N)C(=O)O)N(C)C;CN(C)[P](O)(=O)OC[CH](N)C(O)=O;CN(C)P(=O)(O)OCC(C(=O)O)N","InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1","","2008-06-27","2024-09-27","O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine",""],["9EI","5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide","C16 H13 N3 O","O=C(Nc1cccc2ccccc21)c1cncc(N)c1;Nc1cncc(c1)C(=O)Nc2cccc3ccccc23;c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N","InChI=1S/C16H13N3O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,17H2,(H,19,20)","","2021-10-08","2021-10-15","5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide","2021-10-20"],["SEO","2-MERCAPTOETHANOL","C2 H6 O S","OCCS;OCCS;C(CS)O","InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H2","2-SULFHYDRYL-ETHANOL","1999-07-08","2008-10-14","2-sulfanylethanol",""],["9EJ","N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide","C28 H34 N8 O2 S","C(NC(c1cc(nc(c1)N2CCC2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5)=O)C(N(CC)CC)C;CCN(CC)[CH](C)CNC(=O)c1cc(nc(c1)c2cnn3ccc(nc23)c4sccc4)N5CC[CH]5C(=O)NC;CCN(CC)C(C)CNC(=O)c1cc(nc(c1)N2CCC2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5","InChI=1S/C28H34N8O2S/c1-5-34(6-2)18(3)16-30-27(37)19-14-22(32-25(15-19)35-11-10-23(35)28(38)29-4)20-17-31-36-12-9-21(33-26(20)36)24-8-7-13-39-24/h7-9,12-15,17-18,23H,5-6,10-11,16H2,1-4H3,(H,29,38)(H,30,37)/t18-,23-/m0/s1","","2017-04-27","2017-08-18","N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide","2017-08-23"],["9EK","~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide","C24 H27 N5 O4","CN(C(=O)c1cc2c([nH]nc2cc1O)C(=O)N3CCCC3)c4ccc(cc4)N5CCOCC5;CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5","InChI=1S/C24H27N5O4/c1-27(16-4-6-17(7-5-16)28-10-12-33-13-11-28)23(31)19-14-18-20(15-21(19)30)25-26-22(18)24(32)29-8-2-3-9-29/h4-7,14-15,30H,2-3,8-13H2,1H3,(H,25,26)","","2017-05-12","2018-04-13","~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide","2018-04-18"],["SEP","PHOSPHOSERINE","C3 H8 N O6 P","O=P(O)(O)OCC(C(=O)O)N;N[CH](CO[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)OP(=O)(O)O","InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1","PHOSPHONOSERINE","1999-07-08","2025-08-24","O-phosphono-L-serine",""],["SEQ","~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine","C17 H21 N3","C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4;c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4","InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)","TH10785","2020-11-13","2022-05-27","~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine","2022-06-01"],["9EL","(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile","C21 H15 F3 N2 O2","c4(F)c(C3Oc2c(c1cc(OC)c(C#N)cc1cc2)CC3N)cc(c(c4)F)F;COc1cc2c(ccc3O[CH]([CH](N)Cc23)c4cc(F)c(F)cc4F)cc1C#N;COc1cc2c(ccc3c2CC(C(O3)c4cc(c(cc4F)F)F)N)cc1C#N","InChI=1S/C21H15F3N2O2/c1-27-20-7-12-10(4-11(20)9-25)2-3-19-13(12)6-18(26)21(28-19)14-5-16(23)17(24)8-15(14)22/h2-5,7-8,18,21H,6,26H2,1H3/t18-,21+/m0/s1","","2018-03-28","2019-03-15","(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile","2019-03-20"],["SER","SERINE","C3 H7 N O3","O=C(O)C(N)CO;N[CH](CO)C(O)=O;C(C(C(=O)O)N)O","InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1","","1999-07-08","2024-09-27","L-serine",""],["9EM","4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one","C25 H25 F3 N8 O2","CC1(C)C(=O)N(CCN1C(=O)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F;CC(=O)N1CCN(c2cccc(c2)c3cc(c4ccnn4CC(F)(F)F)c5n3ncnc5N)C(=O)C1(C)C;CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F","InChI=1S/C25H25F3N8O2/c1-15(37)34-10-9-33(23(38)24(34,2)3)17-6-4-5-16(11-17)20-12-18(21-22(29)30-14-32-36(20)21)19-7-8-31-35(19)13-25(26,27)28/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,29,30,32)","","2017-04-27","2017-06-02","4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one","2017-06-07"],["SES","4-butyl-5-propyl-1,3-selenazol-2-amine","C10 H18 N2 Se","n1c(c([se]c1N)CCC)CCCC;CCCCc1nc(N)[se]c1CCC;CCCCc1c([se]c(n1)N)CCC","InChI=1S/C10H18N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h3-7H2,1-2H3,(H2,11,12)","","1999-07-08","2011-06-04","4-butyl-5-propyl-1,3-selenazol-2-amine",""],["9EN","~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide","C16 H20 F N3 O3 S","CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3","InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1","","2017-05-12","2018-05-25","~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide","2018-05-30"],["SET","AMINOSERINE","C3 H8 N2 O2","O=C(N)C(N)CO;N[CH](CO)C(N)=O;C(C(C(=O)N)N)O","InChI=1S/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)/t2-/m0/s1","","1999-07-08","2024-09-27","L-serinamide",""],["9EO","(3Z)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1H-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide","C27 H22 N4 O3","c5nc(C(=C1/C(Nc2c1cc(cc2)C(=O)NC(c3ccccc3)CO)=O)c4ccccc4)nc5;OC[CH](NC(=O)c1ccc2NC(=O)C(c2c1)=C(c3[nH]ccn3)c4ccccc4)c5ccccc5;c1ccc(cc1)C(CO)NC(=O)c2ccc3c(c2)C(=C(c4ccccc4)c5[nH]ccn5)C(=O)N3","InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1","","2018-03-28","2019-03-29","(3Z)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1H-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide","2019-04-03"],["SEU","S-ETHYLISOTHIOUREA","C3 H8 N2 S","[N@H]=C(SCC)N;CCSC(N)=N;CCSC(=N)N","InChI=1/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/f/h4H,5H2/b4-3-","","1999-07-08","2008-10-14","ethyl imidothiocarbamate",""],["9EP","(2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic\nacid","C16 H18 N2 O6 S2","O=CC(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)C;CC(=O)OCC1=C(N[CH](SC1)[CH](NC(=O)Cc2sccc2)C=O)C(O)=O;CC(=O)OCC1=C(NC(SC1)C(C=O)NC(=O)Cc2cccs2)C(=O)O","InChI=1S/C16H18N2O6S2/c1-9(20)24-7-10-8-26-15(18-14(10)16(22)23)12(6-19)17-13(21)5-11-3-2-4-25-11/h2-4,6,12,15,18H,5,7-8H2,1H3,(H,17,21)(H,22,23)/t12-,15-/m1/s1","Cephalotin, bound form","2010-06-28","2024-09-27","(2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["9EQ","1-[2,6-bis(oxidanyl)phenyl]ethanone","C8 H8 O3","CC(=O)c1c(O)cccc1O;CC(=O)c1c(cccc1O)O","InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3","","2017-05-12","2021-06-25","1-[2,6-bis(oxidanyl)phenyl]ethanone","2021-06-30"],["SEV","3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide","C20 H16 F2 N2 O4 S","COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1;COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F","InChI=1S/C20H16F2N2O4S/c1-28-18-7-5-16(6-8-18)24-29(26,27)19-4-2-3-17(12-19)23-20(25)13-9-14(21)11-15(22)10-13/h2-12,24H,1H3,(H,23,25)","","2020-03-08","2021-03-05","3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide","2021-03-10"],["9ER","N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine","C28 H40 N4 S","CC(C)c1cc(C(C)C)cc(c1c2nc(sc2)N(Cc3cnccc3)CCN(C)C)C(C)C;CC(C)c1cc(C(C)C)c(c2csc(n2)N(CCN(C)C)Cc3cccnc3)c(c1)C(C)C;CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C","InChI=1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3","","2018-03-29","2018-06-15","N~1~,N~1~-dimethyl-N~2~-[(pyridin-3-yl)methyl]-N~2~-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine","2018-06-20"],["SEY","selenourea","C H4 N2 Se","[Se]=C(N)N;NC(N)=[Se];C(=[Se])(N)N","InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)","","2012-05-11","2012-06-22","selenourea",""],["SEZ","1,3,5-trimethylbenzene","C9 H12","Cc1cc(C)cc(C)c1;Cc1cc(cc(c1)C)C","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3","mesitylene","2020-11-13","2024-09-27","1,3,5-trimethylbenzene","2020-12-02"],["9ES","N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide","C29 H36 Cl2 N8 O4","C1N(CCN(C1)c4ccc(Nc2ncnc(c2)N(C)C(Nc3c(c(OC)cc(c3Cl)OC)Cl)=O)c(NC(=O)CC)c4)CC;CCN1CCN(CC1)c2ccc(Nc3cc(ncn3)N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)c(NC(=O)CC)c2;CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC","InChI=1S/C29H36Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h8-9,14-17H,6-7,10-13H2,1-5H3,(H,35,40)(H,36,41)(H,32,33,34)","","2017-05-01","2024-09-27","N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide","2017-05-24"],["SF0","[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name)","C62 H89 N13 O14 P Rh","Cc1cc2ncn(c2cc1C)C1OC(CO)C(OP(=O)(O)OC(C)CNC(=O)CCC2(C)C(CC(N)=O)C3N4=C2C(C)=C2C(CCC(N)=O)C(C)(C)C5=CC6=N7C(=C(C)C=8C(CCC(N)=O)C(C)(CC(N)=O)C3(C)N=8[Rh]74N52)C(C)(CC(N)=O)C6CCC(N)=O)C1O;C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N=C1C(=C3[CH](CCC(N)=O)C(C)(C)C(=CC4=NC(=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)[N]3[Rh])C)O[P](O)(=O)O[CH]6[CH](O)[CH](O[CH]6CO)n7cnc8cc(C)c(C)cc78;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Rh]89[N]5=C4C(=C1N8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.Rh/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+1/p-1/t31-,34-,35-,36-,37-,41+,52-,53-,56-,57-,59-,60+,61+,62+;/m1./s1","","2022-07-01","2023-05-05","[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name)","2023-05-10"],["9ET","Murrayamine-I","C20 H19 N O4","CC(=O)OC[C]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1;Cc1cc2c3ccc(cc3[nH]c2c4c1OC(C=C4)(C)COC(=O)C)O","InChI=1S/C20H19NO4/c1-11-8-16-14-5-4-13(23)9-17(14)21-18(16)15-6-7-20(3,25-19(11)15)10-24-12(2)22/h4-9,21,23H,10H2,1-3H3/t20-/m1/s1","","2017-05-15","2018-04-13","[(3~{R})-3,5-dimethyl-9-oxidanyl-11~{H}-pyrano[3,2-a]carbazol-3-yl]methyl ethanoate","2018-04-18"],["SF1","1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID","C22 H16 Cl N O2 S","Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4ccccc4;OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1Sc4ccccc4;c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl","InChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26)","SR145","2007-06-25","2020-06-17","1-benzyl-5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid",""],["9EU","4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide","C28 H22 F N5 O2","Cc2nc1cnccc1n2Cc3ccc(cc3F)C(=O)c4cn(c5c4c(C#C)ccc5)C(N(C)C)=O;CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c5c(cccc15)C#C;Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C","InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3","","2018-03-29","2018-06-15","4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide","2018-06-20"],["9EV","6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine","C16 H24 N3 O9 P","C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N;Cc1ncc(CO[P](O)(O)=O)c([CH]2OC(=O)CN2CCCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C2N(CC(=O)O2)CCCCC(C(=O)O)N)O","InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1","","2017-05-03","2024-09-27","6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine","2017-05-17"],["SF2","5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID","C23 H18 Cl N O3 S","Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4cccc(OC)c4;COc1cccc(Cn2c3ccc(Cl)cc3c(Sc4ccccc4)c2C(O)=O)c1;COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl","InChI=1S/C23H18ClNO3S/c1-28-17-7-5-6-15(12-17)14-25-20-11-10-16(24)13-19(20)22(21(25)23(26)27)29-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,26,27)","SF147","2007-06-25","2020-06-17","5-chloro-1-(3-methoxybenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid",""],["SF3","FE4-S3 CLUSTER","Fe4 S3","[Fe]S[Fe]S[Fe]S[Fe];S1[Fe][S]2[Fe]1[S]([Fe]2)[Fe]","InChI=1S/4Fe.3S","","2002-12-23","2023-09-23","[(1~{S},3~{R})-1$l^{3},3$l^{3},5-trithia-2$l^{2},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-3-yl]iron",""],["9EW","1,2-benzoxazol-3-ol","C7 H5 N O2","Oc1noc2ccccc12;c1ccc2c(c1)c(no2)O","InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)","","2017-05-15","2017-06-09","1,2-benzoxazol-3-ol","2017-06-14"],["SF4","IRON/SULFUR CLUSTER","Fe4 S4","S1[Fe]S[Fe]1.S2[Fe]S[Fe]2;[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45","InChI=1S/4Fe.4S","","1999-07-08","2023-09-23","",""],["9EX","(2S)-2-methyl-3-sulfanyl-propan-1-ol","C4 H10 O S","C[CH](CO)CS;CC(CO)CS","InChI=1S/C4H10OS/c1-4(2-5)3-6/h4-6H,2-3H2,1H3/t4-/m0/s1","","2018-03-30","2019-03-15","(2~{S})-2-methyl-3-sulfanyl-propan-1-ol","2019-03-20"],["SF5","methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate","C18 H23 N3 O5","N(C(CC(c1onc(n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O;CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1;CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC","InChI=1S/C18H23N3O5/c1-3-4-5-14(11-16(22)20-24)17-19-15(21-26-17)10-12-6-8-13(9-7-12)18(23)25-2/h6-9,14,24H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1","","2016-04-19","2016-11-25","methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate","2016-11-30"],["9EY","methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate","C27 H26 Cl N9 O4","[C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)=O)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(NC(=O)CCCC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]cc2n5)c1;COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC(c3[nH]cc2n3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C27H26ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h6-15,20H,2-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b11-6+/t20-/m0/s1","","2017-05-04","2017-07-07","methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate","2017-07-12"],["9EZ","2-methyl-5-phenyl-pyrazol-3-amine","C10 H11 N3","Cn1nc(cc1N)c2ccccc2;Cn1c(cc(n1)c2ccccc2)N","InChI=1S/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3","","2017-05-15","2017-06-09","2-methyl-5-phenyl-pyrazol-3-amine","2017-06-14"],["SF6","alpha-L-psicofuranose","C6 H12 O6","OC1C(O)C(OC1(O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m0/s1","alpha-L-psicose; L-psicose; psicose","2014-07-24","2020-07-17","alpha-L-psicofuranose","2015-04-29"],["SF7","(3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide","C16 H20 F N3 O3","O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO;CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1;CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F","InChI=1S/C16H20FN3O3/c1-2-3-4-12(10-15(21)19-22)16-18-14(20-23-16)9-11-5-7-13(17)8-6-11/h5-8,12,22H,2-4,9-10H2,1H3,(H,19,21)/t12-/m1/s1","","2016-04-20","2016-11-25","(3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide","2016-11-30"],["9F0","4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline","C45 H63 N13 Pt3","NCCNCCN.NCCNCCN.NCCNCCN.[Pt][n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+]([Pt])cc4)c5ccc(cc5)c6cc[n+]([Pt])cc6;c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2","InChI=1S/C33H24N4.3C4H13N3.3Pt/c1-7-31(8-2-25(1)28-13-19-34-20-14-28)37(32-9-3-26(4-10-32)29-15-21-35-22-16-29)33-11-5-27(6-12-33)30-17-23-36-24-18-30;3*5-1-3-7-4-2-6;;;/h1-24H;3*7H,1-6H2;;;/q;;;;3*+4","","2018-03-31","2018-09-14","4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-~{N},~{N}-bis[4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline","2018-09-19"],["SF8","(2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic\nacid","C17 H24 N2 O14","OC(=O)C[C](O)(CC(=O)NCCC[CH](NC(=O)C[C](O)(CC(O)=O)C(O)=O)C(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)CC(CC(=O)O)(C(=O)O)O)CNC(=O)CC(CC(=O)O)(C(=O)O)O","InChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/t8-,16+,17-/m1/s1","Staphyloferrin A","2010-02-01","2020-06-17","(2R)-2-[2-[[(2R)-5-[[(3S)-3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl]amino]-1-hydroxy-1-oxo-pentan-2-yl]amino]-2-oxo-ethyl]-2-hydroxy-butanedioic acid",""],["9F1","methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","C27 H26 Cl F2 N5 O4","n2c3c1ccc(NC(OC)=O)cc1NC(CC(C)C=CCC(c2nc3Cl)NC(c4c(F)cc(cc4F)C)=O)=O;COC(=O)Nc1ccc2c(NC(=O)C[CH](C)C=CC[CH](NC(=O)c3c(F)cc(C)cc3F)c4[nH]c(Cl)c2n4)c1;Cc1cc(c(c(c1)F)C(=O)NC2CC=CC(CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F","InChI=1S/C27H26ClF2N5O4/c1-13-5-4-6-19(33-26(37)22-17(29)9-14(2)10-18(22)30)25-34-23(24(28)35-25)16-8-7-15(31-27(38)39-3)12-20(16)32-21(36)11-13/h4-5,7-10,12-13,19H,6,11H2,1-3H3,(H,31,38)(H,32,36)(H,33,37)(H,34,35)/b5-4+/t13-,19-/m0/s1","","2017-05-04","2017-07-07","methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2017-07-12"],["SF9","beta-L-psicofuranose","C6 H12 O6","OC1C(O)C(OC1(O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m0/s1","beta-L-psicose; L-psicose; psicose","2014-07-24","2020-07-17","beta-L-psicofuranose","2015-04-29"],["9F2","Ceftriaxone","C18 H18 N8 O7 S3","CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)CSC3=NC(=O)C(=O)NN3C)c4csc(N)n4;CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O","InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8+/t9-,15-/m1/s1","","2017-05-15","2017-06-09","(7~{R})-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1~{H}-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2017-06-14"],["SFA","SANGLIFEHRIN A","C60 H91 N5 O13","O=C3N5NC(C(=O)OC(C(=CC=CCCC(C)C(O)CC2OC1(NC(=O)C(CC1C)CC)C(C)C(O)C2C)C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC3Cc4cccc(O)c4)C(C)C)CCC(=O)C)CCC5;CC[CH]1C[CH](C)[C]2(NC1=O)O[CH](C[CH](O)[CH](C)CCC=CC=C(C)[CH]3CC=CC=C[CH](O)[CH](C)[CH](O)[CH](CCC(C)=O)C(=O)N[CH](C(C)C)C(=O)N[CH](Cc4cccc(O)c4)C(=O)N5CCC[CH](N5)C(=O)O3)[CH](C)[CH](O)[CH]2C;CCC1CC(C2(C(C(C(C(O2)CC(C(C)CCC=CC=C(C)C3CC=CC=CC(C(C(C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C","InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1","(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ETHYL-4-HYDROXY-3,5,11-TRIMETHYL-\n8-OXO-1-OXA-7-AZASPIRO[5.5]UNDEC-2-YL]-8-HYDROXY-1,7-DIMETHYLNONA-1,3-DIENYL}-10,12-DIHYDROXY-3-(3-HYDROXYBENZYL)-6-ISOP\nROPYL-11-METHYL-9-(3-OXOBUTYL)-19-OXA-1,4,7,25-TETRAAZABICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRONE","2005-02-03","2020-06-17","(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-2-yl]-8-hydroxy-1,7-dimethylnona-1,3-dien-1-yl}-10,12-dihydroxy-3-(3-hydroxybenzyl)-11-methyl-6-(1-methylethyl)-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone",""],["9F3","(2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane\n]-3',4',7-triol","C12 H20 O10","OC[CH]1O[C]2(CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O2)[CH](O)[CH]1O;C1C2(C(C(C(O2)CO)O)O)OC3C(C(OC3(O1)CO)CO)O","InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1","Beta-2,1'-alpha-2',3-Difructofuranose anhydride","2018-04-04","2020-06-17","(2~{R},3'~{S},4'~{S},4~{a}~{R},5'~{R},6~{R},7~{R},7~{a}~{S})-4~{a},5',6-tris(hydroxymethyl)spiro[3,6,7,7~{a}-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol","2018-12-19"],["SFB","(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE","C20 H28 N8 O11 S","O=C(NS(=O)(=O)CC2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)C5OC(n3c4ncnc(N)c4nc3)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)N[S](=O)(=O)C[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC(=O)NC5=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NS(=O)(=O)CC4C(OC(C4O)N5C=CC(=O)NC5=O)CO)O)O)N","InChI=1S/C20H24N8O11S/c21-15-10-16(23-5-22-15)28(6-24-10)19-13(33)12(32)14(39-19)17(34)26-40(36,37)4-7-8(3-29)38-18(11(7)31)27-2-1-9(30)25-20(27)35/h1-2,5-8,11-14,18-19,29,31-33H,3-4H2,(H,26,34)(H2,21,22,23)(H,25,30,35)/t7-,8-,11-,12+,13-,14+,18-,19-/m1/s1","","2010-08-16","2011-06-04","(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methyl}sulfonyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)",""],["9F4","(1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide","C20 H16 F N3 O2","O=C(NO)C4C(c1ccccc1)C4c3ccc(c2ncc(F)cn2)cc3;ONC(=O)[CH]1[CH]([CH]1c2ccc(cc2)c3ncc(F)cn3)c4ccccc4;c1ccc(cc1)C2C(C2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F","InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1","","2013-10-16","2014-09-05","(1R,2R,3R)-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropanecarboxamide","2013-12-11"],["9F5","(2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid","C14 H12 O4","O[CH](C(O)=O)c1cccc(Oc2ccccc2)c1;c1ccc(cc1)Oc2cccc(c2)C(C(=O)O)O","InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)/t13-/m0/s1","3-Phenoxymandelic acid","2017-05-16","2020-06-17","(2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid","2017-06-28"],["SFC","(S)-IBUPROFENOYL-COENZYME A","C34 H53 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)CC(C)C)C;CC(C)Cc1ccc(cc1)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)[n+]3c[nH]c4c(N)ncnc34;CC(C)Cc1ccc(cc1)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O","InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H8,35,36,37,38,39,42,45,47,48,49,50,51,52,53)/p+1/t20-,23+,26+,27+,28-,32+/m0/s1","[5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(S)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID","2006-03-23","2021-03-13","6-amino-9-[(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-{(3S,5R,9R,20S)-3,5,9-trihydroxy-8,8-dimethyl-20-[4-(2-methylpropyl)phenyl]-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl}tetrahydrofuran-2-yl]-7H-purin-9-ium (non-preferred name)",""],["9F6","(2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one","C14 H11 N O2","Oc1ccccc1C(=O)[C@H]=[C@H]c2cnccc2;Oc1ccccc1C(=O)C=Cc2cccnc2;c1ccc(c(c1)C(=O)C=Cc2cccnc2)O","InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+","","2018-03-14","2019-03-08","(2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one","2019-03-13"],["SFD","(S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID","C27 H35 N9 O18 P2 S","O=S(=O)(O)N2c1cc(c(cc1N(C3=NC(=O)NC(=O)C23)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[CH]6N(c2cc1C)[S](O)(=O)=O;Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O","InChI=1S/C27H35N9O18P2S/c1-10-3-12-13(4-11(10)2)36(57(48,49)50)18-24(32-27(43)33-25(18)42)34(12)5-14(37)19(39)15(38)6-51-55(44,45)54-56(46,47)52-7-16-20(40)21(41)26(53-16)35-9-31-17-22(28)29-8-30-23(17)35/h3-4,8-9,14-16,18-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,33,42,43)(H,48,49,50)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1","N5-SULFONO FLAVIN-ADENINE DINUCLEOTIDE","2006-01-11","2024-09-27","(4aS)-10-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-2,4,4a,10-tetrahydrobenzo[g]pteridine-5(3H)-sulfonic acid (non-preferred name)",""],["SFE","(3S)-3-amino-3-phenylpropanoic acid","C9 H11 N O2","O=C(O)CC(N)c1ccccc1;N[CH](CC(O)=O)c1ccccc1;c1ccc(cc1)C(CC(=O)O)N","InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1","S-BETA-PHENYLALANINE","2011-05-30","2024-09-27","(3S)-3-amino-3-phenylpropanoic acid",""],["9F7","methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate","C29 H30 Cl N9 O4","c1c(cc2c(c1)c5cnc(C(CCCC(C(N2)=O)CC)NC(=O)[C@H]=[C@H]c3cc(ccc3n4nnnc4)Cl)n5)NC(OC)=O;CC[CH]1CCC[CH](NC(=O)C=Cc2cc(Cl)ccc2n3cnnn3)c4[nH]cc(n4)c5ccc(NC(=O)OC)cc5NC1=O;CCC1CCCC(c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1","","2017-05-04","2017-07-07","methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate","2017-07-12"],["SFF","(4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide","C13 H22 N2 O3 S","O=S2(=O)N=C(OC1C2CCCC1)NC3CCCCC3;O=[S]1(=O)N=C(NC2CCCCC2)O[CH]3CCCC[CH]13;C1CCC(CC1)NC2=NS(=O)(=O)C3CCCCC3O2","InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1","","2013-04-27","2014-04-04","(4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide","2014-04-09"],["9F8","3-(3-methylindol-1-yl)propanoic acid","C12 H13 N O2","Cc1cn(CCC(O)=O)c2ccccc12;Cc1cn(c2c1cccc2)CCC(=O)O","InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15)","","2017-05-16","2017-06-23","3-(3-methylindol-1-yl)propanoic acid","2017-06-28"],["SFG","SINEFUNGIN","C15 H23 N7 O5","O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N","InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1","ADENOSYL-ORNITHINE","1999-07-08","2025-01-14","(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)",""],["9F9","N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide","C22 H26 N4 O3","O=C(c1ccccc1OC)Nc2cc4c(cc2N3CCCCC3)N(C(=O)N4C)C;COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCCC4;CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC","InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)","","2014-08-30","2014-09-12","N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide","2014-09-17"],["SFH","5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine","C16 H17 N7 O7 S","C3(n1c2c(nc1)c(N)ncn2)OC(C(C3O)O)COS(NC(c4cnccc4)=O)(=O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccnc4)[CH](O)[CH]3O;c1cc(cnc1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C16H17N7O7S/c17-13-10-14(20-6-19-13)23(7-21-10)16-12(25)11(24)9(30-16)5-29-31(27,28)22-15(26)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t9-,11-,12-,16-/m1/s1","","2019-10-09","2020-01-03","5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine","2020-01-08"],["9FA","methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","C29 H28 Cl N9 O4","[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CC(C)C=CC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(NC(=O)C[CH](C)C=CC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]cc2n5)c1;CC1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)C(CC=C1)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)NC(=O)OC","InChI=1S/C29H28ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h3-4,6-11,13-17,22H,5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b4-3+,11-6+/t17-,22-/m0/s1","","2017-05-04","2017-07-07","methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2017-07-12"],["9FB","(1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid","C6 H11 N O2","N[CH]1CCC[CH]1C(O)=O;C1CC(C(C1)N)C(=O)O","InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1","","2017-05-16","2024-09-27","(1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid","2020-10-28"],["SFI","2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid","C20 H17 F O2 S","O=C(O)CC=2c3cc(F)ccc3C(=C/c1ccc(SC)cc1)C=2C;CSc1ccc(cc1)C=C2C(=C(CC(O)=O)c3cc(F)ccc23)C;CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)SC)F)CC(=O)O","InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-","sulindac sulfide","2011-05-19","2020-06-17","{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid",""],["SFJ","(2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic\nacid","C11 H17 F2 N O8","FC1(OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO)C(=O)O;CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)F)F)O","InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9-,11-/m1/s1","(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy\nlic acid; 2,3-difluoro-sialic acid; 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic\nacid","2014-12-26","2020-07-17","(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy\nlic acid (non-preferred name)","2015-09-16"],["9FC","6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide","C20 H24 N6 O","c1(C(N)=O)cc(c(nc1Nc2cc(C)ccc2)NC3CCCCC3N)C#N;Cc1cccc(Nc2nc(N[CH]3CCCC[CH]3N)c(cc2C(N)=O)C#N)c1;Cc1cccc(c1)Nc2c(cc(c(n2)NC3CCCCC3N)C#N)C(=O)N","InChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1","","2018-04-04","2019-06-07","6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide","2019-06-12"],["SFK","N-(4-methylpentanoyl)-L-phenylalanine","C15 H21 N O3","O=C(O)C(NC(=O)CCC(C)C)Cc1ccccc1;CC(C)CCC(=O)N[CH](Cc1ccccc1)C(O)=O;CC(C)CCC(=O)NC(Cc1ccccc1)C(=O)O","InChI=1S/C15H21NO3/c1-11(2)8-9-14(17)16-13(15(18)19)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1","","2013-04-15","2013-04-26","N-(4-methylpentanoyl)-L-phenylalanine","2013-05-01"],["9FD","methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","C29 H30 Cl N9 O4","[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CC(CCC2)C)=O)cn3)c4cc(Cl)ccc4n5nnnc5;COC(=O)Nc1ccc2c(NC(=O)C[CH](C)CCC[CH](NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5[nH]cc2n5)c1;CC1CCCC(c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C29H30ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h6-11,13-17,22H,3-5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b11-6+/t17-,22-/m0/s1","","2017-05-04","2017-07-07","methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2017-07-12"],["SFL","Scandium Tetrafluoride","F4 Sc","F[Sc-](F)(F)F;F[Sc-](F)(F)F;F[Sc-](F)(F)F","InChI=1S/4FH.Sc/h4*1H;/q;;;;+3/p-4","","2013-01-03","2018-02-05","tetrafluoroscandate(1-)","2014-01-15"],["9FE","3-bromanyl-1~{H}-indazole-5-carboxylic acid","C8 H5 Br N2 O2","OC(=O)c1ccc2[nH]nc(Br)c2c1;c1cc2c(cc1C(=O)O)c(n[nH]2)Br","InChI=1S/C8H5BrN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)","","2017-05-16","2017-06-23","3-bromanyl-1~{H}-indazole-5-carboxylic acid","2017-06-28"],["9FF","1H-indole-2-carbaldehyde","C9 H7 N O","O=Cc1[nH]c2ccccc2c1;c1ccc2c(c1)cc([nH]2)C=O","InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H","","2022-03-11","2022-07-01","1~{H}-indole-2-carbaldehyde","2022-07-06"],["SFM","(13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE","C39 H56 N4 O10","O=C1OC(C(=C/CO)/C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C;CC(C)[CH]1NC(=O)[CH](CCC(C)=O)[CH](O)[CH](C)[CH](O)C=CC=CC[CH](OC(=O)[CH]2CCC[N](N2)C(=O)[CH](Cc3cccc(O)c3)NC1=O)C(C)=CCO;CC1C(C=CC=CCC(OC(=O)C2CCCN(N2)C(=O)C(NC(=O)C(NC(=O)C(C1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)C(=CCO)C)O","InChI=1S/C39H56N4O10/c1-23(2)34-37(50)40-31(22-27-11-9-12-28(46)21-27)38(51)43-19-10-13-30(42-43)39(52)53-33(24(3)18-20-44)15-8-6-7-14-32(47)26(5)35(48)29(36(49)41-34)17-16-25(4)45/h6-9,11-12,14,18,21,23,26,29-35,42,44,46-48H,10,13,15-17,19-20,22H2,1-5H3,(H,40,50)(H,41,49)/b8-6+,14-7+,24-18+/t26-,29+,30-,31-,32-,33-,34-,35+/m0/s1","ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A","2003-03-14","2021-03-01","(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(2E)-4-hydroxybut-2-en-2-yl]-11-methyl-9-(3-oxobutyl)-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone",""],["9FG","5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile","C12 H9 F N2 O","C(c1n(c(cc1)c2c(F)cc(cc2)O)C)#N;Cn1c(ccc1c2ccc(O)cc2F)C#N;Cn1c(ccc1c2ccc(cc2F)O)C#N","InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3","","2017-05-04","2018-03-09","5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile","2018-03-14"],["SFN","SULFONATE GROUP","H O3 S","[O-]S(=O)=O;[O-][SH](=O)=O;[O-]S(=O)=O","InChI=1/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1/fHO3S/q-1","","1999-07-08","2008-10-14","(dioxidosulfanyl)oxidanide",""],["SFO","SULFONIC ACID","H3 O3 S","O[SH](O)=O;O[SH](=O)O","InChI=1S/H4O3S/c1-4(2)3/h4H2,(H2,1,2,3)","","1999-07-08","2023-09-23","sulfurous acid",""],["9FH","5-methyl-1-phenyl-pyrazole-4-carboxylic acid","C11 H10 N2 O2","Cc1n(ncc1C(O)=O)c2ccccc2;Cc1c(cnn1c2ccccc2)C(=O)O","InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)","","2017-05-16","2017-06-23","5-methyl-1-phenyl-pyrazole-4-carboxylic acid","2017-06-28"],["SFP","5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE","C44 H34 N4 O12 S4","[O-]S(O)(O)c1ccc(cc1)c5c9ccc(c(c7nc(c(c2nc(cc2)c(c3ccc(cc3)S([O-])(O)O)c4nc5C=C4)c6ccc(cc6)S([O-])(O)O)C=C7)c8ccc(cc8)S([O-])(O)O)n9;O[S](O)([O-])c1ccc(cc1)c2c3[nH]c(cc3)c(c4ccc(cc4)[S](O)(O)[O-])c5ccc(n5)c(c6[nH]c(cc6)c(c7ccc(cc7)[S](O)(O)[O-])c8ccc2n8)c9ccc(cc9)[S](O)(O)[O-];c1cc(ccc1c2c3ccc([nH]3)c(c4nc(c(c5ccc([nH]5)c(c6nc2C=C6)c7ccc(cc7)S(O)(O)[O-])c8ccc(cc8)S(O)(O)[O-])C=C4)c9ccc(cc9)S(O)(O)[O-])S(O)(O)[O-]","InChI=1S/C44H38N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48-60H/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-","","2001-09-19","2011-06-07","{porphyrin-5,10,15,20-tetrayltetrakis[benzene-4,1-diyl(dihydroxy-lambda~4~-sulfanediyl)]}tetraoxidanide",""],["9FI","~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide","C33 H41 N5 O2","NC[CH]1CCC[CH](CNC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)N4CCC5(CC4)C=Cc6ccccc56)C1;c1ccc2c(c1)C=CC23CCN(CC3)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)NCC6CCCC(C6)CN","InChI=1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23-,24+,30+/m0/s1","","2022-01-14","2022-05-27","~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide","2022-06-01"],["SFQ","2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid","C13 H10 I N O4 S","Ic1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)O;OC(=O)c1ccccc1N[S](=O)(=O)c2ccc(I)cc2;c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I","InChI=1S/C13H10INO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)","","2013-12-24","2016-05-06","2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid","2016-05-11"],["9FJ","3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid","C18 H20 N2 O3","O=C(O)c1ccncc1NCC2CCCc3c2ccc(c3)OC;COc1ccc2[CH](CCCc2c1)CNc3cnccc3C(O)=O;COc1ccc2c(c1)CCCC2CNc3cnccc3C(=O)O","InChI=1S/C18H20N2O3/c1-23-14-5-6-15-12(9-14)3-2-4-13(15)10-20-17-11-19-8-7-16(17)18(21)22/h5-9,11,13,20H,2-4,10H2,1H3,(H,21,22)/t13-/m0/s1","","2017-05-04","2017-09-22","3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid","2017-09-27"],["SFR","(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid","C12 H17 N O6 S","OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C;C[CH](O)[CH]([CH]1NC(=C(S1)[CH]2CCCO2)C(O)=O)C(O)=O;CC(C(C1NC(=C(S1)C2CCCO2)C(=O)O)C(=O)O)O","InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1","FAROPENEM, unbound, hydrolyzed form","2007-11-27","2024-09-27","(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid",""],["9FK","5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide","C16 H12 N4 O2 S2","O=S(=O)(c4sc(c3nnn(c2c1ccccc1ccc2)c3)cc4)N;N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc4ccccc34;c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N","InChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22)","","2013-03-13","2014-09-05","5-[1-(naphthalen-1-yl)-1H-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","2014-01-22"],["SFS","Fe4-Se4 cluster","Fe4 Se4","[Fe]1[Se][Fe][Se]1.[Fe]2[Se][Fe][Se]2;[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45","InChI=1S/4Fe.4HSe/h;;;;4*1H","","2014-10-09","2016-04-01","","2016-04-06"],["9FL","9H-fluorene","C13 H10","c1cccc3c1c2c(cccc2)C3;C1c2ccccc2c3ccccc13;c1ccc-2c(c1)Cc3c2cccc3","InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2","","2013-10-31","2014-03-21","9H-fluorene","2014-03-26"],["SFT","SULFOGALACTOCERAMIDE","C48 H93 N O12 S","O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO;CCCCCCCCCCCCCCCCCCCCCC[CH](O)C(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O)O","InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1","SULFATIDE","2005-01-12","2021-03-01","(2R)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide",""],["9FM","N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide","C20 H33 N5 O6 S","c1(ccc(c2nonc12)S(=O)(N(C)CC(=O)NCCOCCOCCCCCC)=O)NC;CCCCCCOCCOCCNC(=O)CN(C)[S](=O)(=O)c1ccc(NC)c2nonc12;CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC","InChI=1S/C20H33N5O6S/c1-4-5-6-7-11-29-13-14-30-12-10-22-18(26)15-25(3)32(27,28)17-9-8-16(21-2)19-20(17)24-31-23-19/h8-9,21H,4-7,10-15H2,1-3H3,(H,22,26)","","2017-05-05","2024-09-27","N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide","2017-06-14"],["SFU","methyl 1-seleno-alpha-L-fucopyranoside","C7 H14 O4 Se","OC1C(O)C(O)C(OC1[Se]C)C;C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)[Se]C)O)O)O","InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1","METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALACTOPYRANOSIDE; methyl 1-seleno-alpha-L-fucoside; methyl 1-seleno-L-fucoside;\nmethyl 1-seleno-fucoside","2009-08-13","2020-07-17","methyl 6-deoxy-1-seleno-alpha-L-galactopyranoside",""],["9FN","2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid","C14 H8 Cl N O5","OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O;c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O","InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)","","2017-05-17","2017-06-23","2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid","2017-06-28"],["9FO","3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol","C40 H82 O21","OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2","","2018-04-09","2019-02-22","3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol","2019-02-27"],["SFV","[[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid","C10 H18 N3 O12 P3","NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O","InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,14H,3-5H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","","2020-03-09","2020-07-17","[[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-07-22"],["SFW","1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole","C17 H13 F3 N2","Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F;Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3","InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3","","2020-11-16","2024-09-27","1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole","2021-06-16"],["9FQ","(3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol","C7 H12 O8 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12;C(C1C(C(C(C2C1OS(=O)(=O)O2)O)O)O)O","InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1","","2017-05-17","2017-08-04","(3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol","2017-08-09"],["SFX","(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","C17 H18 F3 N O","FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2;CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2;CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F","InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1","Fluoxetine","2009-04-03","2020-06-17","(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine",""],["9FR","(6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione","C25 H32 O5","C5(CCC4(C3C(OC=2C(C1=C(C(=O)OC1)C(C=2C)=O)(C)C3)(C)CCC4C5(C)C)C)=O;CC1=C2O[C]3(C)CC[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3C[C]2(C)C5=C(C(=O)OC5)C1=O;CC1=C2C(CC3C4(CCC(=O)C(C4CCC3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C","InChI=1S/C25H32O5/c1-13-19(27)18-14(12-29-21(18)28)24(5)11-16-23(4)9-8-17(26)22(2,3)15(23)7-10-25(16,6)30-20(13)24/h15-16H,7-12H2,1-6H3/t15-,16+,23-,24+,25-/m0/s1","Preandiloid B","2018-04-11","2021-03-01","(6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione","2018-07-18"],["SFY","4-amino-N-(pyridin-2-yl)benzenesulfonamide","C11 H11 N3 O2 S","O=S(=O)(Nc1ncccc1)c2ccc(N)cc2;Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2;c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N","InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)","Sulfapyridine","2012-11-09","2021-03-01","4-amino-N-(pyridin-2-yl)benzenesulfonamide","2013-06-05"],["9FS","5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine","C20 H24 F3 N5 O","c1nc(c(C(F)(F)F)cc1c2cc(n(C(C)C)n2)C3C4C3CN(C4)C5COC5)N;CC(C)n1nc(cc1C2[CH]3CN(C[CH]23)C4COC4)c5cnc(N)c(c5)C(F)(F)F;CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3C4C3CN(C4)C5COC5","InChI=1S/C20H24F3N5O/c1-10(2)28-17(18-13-6-27(7-14(13)18)12-8-29-9-12)4-16(26-28)11-3-15(20(21,22)23)19(24)25-5-11/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18+","","2017-05-08","2017-09-29","5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine","2017-10-04"],["SG0","4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide","C13 H17 N3 O2 S","CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N)=N;CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)C(N)O","InChI=1S/C13H17N3O2S/c1-6(2)18-9-4-3-7(13(16)17)8-5-10(12(14)15)19-11(8)9/h3-6,13,17H,16H2,1-2H3,(H3,14,15)/t13-/m1/s1","","2022-12-15","2023-12-22","4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide","2023-12-27"],["9FT","(3R)-3-(4-methoxyphenyl)piperidine-2,6-dione","C12 H13 N O3","O=C1NC(=O)CCC1c1ccc(OC)cc1;COc1ccc(cc1)[CH]2CCC(=O)NC2=O;COc1ccc(cc1)C2CCC(=O)NC2=O","InChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m1/s1","","2021-10-11","2022-04-08","(3R)-3-(4-methoxyphenyl)piperidine-2,6-dione","2022-04-13"],["SG1","3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE","C10 H11 N3 O5 S","O=S(=O)(c1cc(c(cc1)N2C(=O)CCC2)[N+]([O-])=O)N;N[S](=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O;c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O","InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)","","2002-02-21","2011-06-04","3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide",""],["9FU","(6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione","C25 H30 O5","C1(=O)C=CC2(C(C1(C)C)CCC5(C)C2CC4(C3=C(C(OC3)=O)C(C(=C4O5)C)=O)C)C;CC1=C2O[C]3(C)CC[CH]4C(C)(C)C(=O)C=C[C]4(C)[CH]3C[C]2(C)C5=C(C(=O)OC5)C1=O;CC1=C2C(CC3C(O2)(CCC4C3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C","InChI=1S/C25H30O5/c1-13-19(27)18-14(12-29-21(18)28)24(5)11-16-23(4)9-8-17(26)22(2,3)15(23)7-10-25(16,6)30-20(13)24/h8-9,15-16H,7,10-12H2,1-6H3/t15-,16+,23-,24+,25-/m0/s1","Preandiloid C","2018-04-11","2021-03-01","(6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione","2018-07-18"],["9FV","5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine","C20 H26 F3 N5 O","c1nc(c(C(F)(F)F)cc1c2cc(n(C(C)C)n2)C3CCN(CC3)C4COC4)N;CC(C)n1nc(cc1C2CCN(CC2)C3COC3)c4cnc(N)c(c4)C(F)(F)F;CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4","InChI=1S/C20H26F3N5O/c1-12(2)28-18(13-3-5-27(6-4-13)15-10-29-11-15)8-17(26-28)14-7-16(20(21,22)23)19(24)25-9-14/h7-9,12-13,15H,3-6,10-11H2,1-2H3,(H2,24,25)","","2017-05-08","2017-09-29","5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine","2017-10-04"],["SG2","1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE","C8 H8 N2 O3 S2","O=S(=O)(c1cc2C(=O)SN(c2cc1)C)N;CN1SC(=O)c2cc(ccc12)[S](N)(=O)=O;CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N","InChI=1S/C8H8N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H2,9,12,13)","","2002-02-21","2011-06-04","1-methyl-3-oxo-1,3-dihydro-2,1-benzisothiazole-5-sulfonamide",""],["SG3","[(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4-METHYLPENT-1-EN-1-YL]PHOSPHONIC ACID","C6 H12 F O5 P","O=P(O)(O)/C=C/C(O)C(F)(C)CO;C[C](F)(CO)[CH](O)C=C[P](O)(O)=O;CC(CO)(C(C=CP(=O)(O)O)O)F","InChI=1S/C6H12FO5P/c1-6(7,4-8)5(9)2-3-13(10,11)12/h2-3,5,8-9H,4H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1","","2007-06-11","2011-06-04","[(1E,3R,4S)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid",""],["9FW","2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","C20 H16 Cl N5 O3","C[CH]1COC(=O)C2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O;CC1COC(=O)C2=C(N1)c3cc(ccc3N(C2=O)C)Nc4ccnc(c4C#N)Cl","InChI=1S/C20H16ClN5O3/c1-10-9-29-20(28)16-17(24-10)12-7-11(3-4-15(12)26(2)19(16)27)25-14-5-6-23-18(21)13(14)8-22/h3-7,10,24H,9H2,1-2H3,(H,23,25)/t10-/m0/s1","","2021-11-11","2022-08-22","2-chloranyl-4-[[(2~{S})-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1~{H}-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","2022-06-15"],["SG4","3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose","C10 H17 N O10 S","O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N;CC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[CH]1OC(C)=O;CC(=O)OC1C(OC(C(C1OC(=O)C)O)O)COS(=O)(=O)N","InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7-,8-,9-,10+/m1/s1","3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucose; 3,4-di-O-acetyl-6-O-sulfamoyl-D-glucose;\n3,4-di-O-acetyl-6-O-sulfamoyl-glucose","2011-08-19","2020-07-17","3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose",""],["9FX","3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide","C16 H11 F N4 O2 S","c1(ncccn1)Sc2oc(cc2)C=NNC(c3cccc(c3)F)=O;Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ncccn3)cc2;c1cc(cc(c1)F)C(=O)NN=Cc2ccc(o2)Sc3ncccn3","InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+","","2018-04-11","2019-05-30","3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide","2019-06-05"],["SG5","2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose","C15 H25 N O11 S","O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N;CCC(=O)O[CH]1[CH](O)O[CH](CO[S](N)(=O)=O)[CH](OC(=O)CC)[CH]1OC(=O)CC;CCC(=O)OC1C(OC(C(C1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N","InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15+/m1/s1","2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucose; 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-D-glucose;\n2,3,4-tri-O-propanoyl-6-O-sulfamoyl-glucose","2011-08-19","2020-07-17","2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose",""],["9FZ","(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid","C8 H14 N4 O2","Cc1cn(CCC[CH](N)C(O)=O)nn1;Cc1cn(nn1)CCCC(C(=O)O)N","InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1","","2017-05-17","2024-09-27","(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid","2017-08-30"],["SG6","4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose","C8 H15 N O9 S","O=S(=O)(OCC1OC(O)C(O)C(O)C1OC(=O)C)N;CC(=O)O[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO[S](N)(=O)=O;CC(=O)OC1C(OC(C(C1O)O)O)COS(=O)(=O)N","InChI=1S/C8H15NO9S/c1-3(10)17-7-4(2-16-19(9,14)15)18-8(13)6(12)5(7)11/h4-8,11-13H,2H2,1H3,(H2,9,14,15)/t4-,5-,6-,7+,8+/m1/s1","4-O-acetyl-6-O-sulfamoyl-alpha-D-galactose; 4-O-acetyl-6-O-sulfamoyl-D-galactose; 4-O-acetyl-6-O-sulfamoyl-galactose","2011-08-30","2020-07-17","4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose",""],["9G0","2'-amino[1,1'-biphenyl]-2,3-diol","C12 H11 N O2","Nc1c(cccc1)c2cccc(O)c2O;Nc1ccccc1c2cccc(O)c2O;c1ccc(c(c1)c2cccc(c2O)O)N","InChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2","","2018-04-11","2021-01-22","2'-amino[1,1'-biphenyl]-2,3-diol","2021-01-27"],["SG7","3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose","C10 H17 N O10 S","O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N;CC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[CH]1OC(C)=O;CC(=O)OC1C(OC(C(C1OC(=O)C)O)O)COS(=O)(=O)N","InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7+,8-,9-,10+/m1/s1","3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannose; 3,4-di-O-acetyl-6-O-sulfamoyl-D-mannose;\n3,4-di-O-acetyl-6-O-sulfamoyl-mannose","2011-08-30","2020-07-17","3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose",""],["9G1","[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium","C30 H48 N7 O23 P4","NC(=O)[CH]1CN(CC[CH]1[P+](CCC(O)=O)(CCC(O)=O)CCC(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CCC(C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N","InChI=1S/C30H47N7O23P4/c31-26-21-28(34-12-33-26)37(13-35-21)30-25(59-62(48,49)50)23(45)16(58-30)11-56-64(53,54)60-63(51,52)55-10-15-22(44)24(46)29(57-15)36-5-1-17(14(9-36)27(32)47)61(6-2-18(38)39,7-3-19(40)41)8-4-20(42)43/h12-17,22-25,29-30,44-46H,1-11H2,(H10-,31,32,33,34,38,39,40,41,42,43,47,48,49,50,51,52,53,54)/p+1/t14-,15+,16+,17-,22+,23+,24+,25+,29+,30+/m0/s1","","2017-05-09","2017-05-19","[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium","2017-05-24"],["9G2","(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid","C9 H16 N4 O2","CCc1cn(CCC[CH](N)C(O)=O)nn1;CCc1cn(nn1)CCCC(C(=O)O)N","InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1","","2017-05-17","2024-09-27","(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid","2017-08-30"],["SG8","3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide","C28 H26 Cl F2 N3 O S","Fc1ccc(F)c2sc(c(Cl)c12)C(=O)N(C3CCC(NC)CC3)Cc5cccc(c4ccncc4)c5;CN[CH]1CC[CH](CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4sc5c(F)ccc(F)c5c4Cl;CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl","InChI=1S/C28H26ClF2N3OS/c1-32-20-5-7-21(8-6-20)34(16-17-3-2-4-19(15-17)18-11-13-33-14-12-18)28(35)27-25(29)24-22(30)9-10-23(31)26(24)36-27/h2-4,9-15,20-21,32H,5-8,16H2,1H3/t20-,21-","","2014-06-19","2014-07-18","3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide","2014-07-23"],["SG9","Spongistatin-1","C63 H95 Cl O21","CO[CH]1C[CH]2CC(=O)[CH](C)[CH](OC(C)=O)[CH](C)C(=C)C[CH]3C[C](C)(O)C[C]4(C[CH](C[CH](CC(=O)O[CH]5[CH](C)[CH](O[CH](CC(=C)C[CH](O)C=CC(Cl)=C)[CH]5O)[CH](O)[C]6(O)C[CH](O)[CH](C)[CH](CCCC=C[CH]7C[CH](O)C[C](C1)(O2)O7)O6)O4)OC(C)=O)O3;CC1C2CCCC=CC3CC(CC4(O3)CC(CC(O4)CC(=O)C(C(C(C(=C)CC5CC(CC6(O5)CC(CC(O6)CC(=O)OC7C(C(C(C(O2)(CC1O)O)O)OC(C7O)CC(=C)CC(C=CC(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O","InChI=1S/C63H95ClO21/c1-33(19-42(67)18-17-35(3)64)20-53-55(72)57-39(7)58(79-53)59(73)63(75)31-51(70)37(5)52(85-63)16-14-12-13-15-44-22-43(68)27-61(81-44)29-47(76-11)23-45(82-61)25-50(69)38(6)56(78-41(9)66)36(4)34(2)21-49-28-60(10,74)32-62(84-49)30-48(77-40(8)65)24-46(83-62)26-54(71)80-57/h13,15,17-18,36-39,42-49,51-53,55-59,67-68,70,72-75H,1-3,12,14,16,19-32H2,4-11H3/b15-13-,18-17+/t36-,37-,38-,39-,42-,43+,44+,45+,46-,47+,48+,49+,51+,52-,53-,55-,56+,57-,58-,59+,60+,61-,62-,63-/m1/s1","","2018-01-18","2018-05-25","","2018-05-30"],["9G3","7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one","C16 H17 Cl F N3 O2","c1(F)c(Cl)cc2c(c1)C(=O)N(C=N2)CC(=O)CC3NCCCC3;Fc1cc2C(=O)N(CC(=O)C[CH]3CCCCN3)C=Nc2cc1Cl;c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)CC3CCCCN3","InChI=1S/C16H17ClFN3O2/c17-13-7-15-12(6-14(13)18)16(23)21(9-20-15)8-11(22)5-10-3-1-2-4-19-10/h6-7,9-10,19H,1-5,8H2/t10-/m0/s1","","2018-04-13","2019-05-24","7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one","2019-05-29"],["SGA","3-O-sulfo-beta-D-galactopyranose","C6 H12 O9 S","O=S(=O)(OC1C(O)C(OC(O)C1O)CO)O;OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)O)O","InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5+,6-/m1/s1","O3-SULFONYLGALACTOSE; 3-O-sulfo-beta-D-galactose; 3-O-sulfo-D-galactose; 3-O-sulfo-galactose","1999-07-08","2020-07-17","3-O-sulfo-beta-D-galactopyranose",""],["9G4","1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide","C20 H17 Cl N4 O4","Clc3ccc(OC1=CC(=O)N(N=C1C(=O)N)c2ccc(cc2)CNC(=O)C)cc3;CC(=O)NCc1ccc(cc1)N2N=C(C(N)=O)C(=CC2=O)Oc3ccc(Cl)cc3;CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl","InChI=1S/C20H17ClN4O4/c1-12(26)23-11-13-2-6-15(7-3-13)25-18(27)10-17(19(24-25)20(22)28)29-16-8-4-14(21)5-9-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,26)","","2014-04-29","2015-05-15","1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide","2015-05-20"],["9G5","(3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one","C26 H24 Cl N3 O3","CN1CCCN(CC1)C(=O)c2cccc(c2)c3oc(cc3)C=C4C(=O)Nc5ccc(Cl)cc45;CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl","InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+","","2017-05-18","2017-10-27","(3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one","2017-11-01"],["SGB","O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE","C7 H16 N O5 P","O=P(OCC(N)C(=O)O)(OC(C)C)C;CC(C)O[P](C)(=O)OC[CH](N)C(O)=O;CC(C)OP(=O)(C)OCC(C(=O)O)N","InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1","","2007-02-13","2024-09-27","O-[(S)-methyl(1-methylethoxy)phosphoryl]-L-serine",""],["SGC","4-thio-beta-D-glucopyranose","C6 H12 O5 S","OC1C(S)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)O)O)O)S)O","InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1","4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE; 4-thio-beta-D-glucose; 4-thio-D-glucose; 4-thio-glucose","1999-07-08","2020-07-17","4-thio-beta-D-glucopyranose",""],["9G6","N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine","C22 H23 N5 O3 S","COc1cc2ncnc(N3CCOCC3)c2cc1OCCNc4sc5ccccc5n4;COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5","InChI=1S/C22H23N5O3S/c1-28-18-13-17-15(21(25-14-24-17)27-7-10-29-11-8-27)12-19(18)30-9-6-23-22-26-16-4-2-3-5-20(16)31-22/h2-5,12-14H,6-11H2,1H3,(H,23,26)","","2018-04-17","2019-02-15","~{N}-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine","2019-02-20"],["SGD","6-thio-alpha-D-glucopyranose","C6 H12 O5 S","OC1C(O)C(OC(O)C1O)CS;O[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)S","InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1","6-thio-alpha-D-glucose; 6-thio-D-glucose; 6-thio-glucose","2013-02-13","2020-07-17","6-thio-alpha-D-glucopyranose","2014-02-12"],["9G7","methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate","C32 H44 F N3 O4","c3(c(c(C(C1CN(CCC1)C(=O)CC2CCNCC2)(CCCNC(OC)=O)O)ccc3)c4cccc(CC)c4)F;CCc1cccc(c1)c2c(F)cccc2[C](O)(CCCNC(=O)OC)[CH]3CCCN(C3)C(=O)CC4CCNCC4;CCc1cccc(c1)c2c(cccc2F)C(CCCNC(=O)OC)(C3CCCN(C3)C(=O)CC4CCNCC4)O","InChI=1S/C32H44FN3O4/c1-3-23-8-4-9-25(20-23)30-27(11-5-12-28(30)33)32(39,15-7-16-35-31(38)40-2)26-10-6-19-36(22-26)29(37)21-24-13-17-34-18-14-24/h4-5,8-9,11-12,20,24,26,34,39H,3,6-7,10,13-19,21-22H2,1-2H3,(H,35,38)/t26-,32+/m1/s1","","2017-05-09","2017-10-13","methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate","2017-10-18"],["SGE","13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine","C20 H15 N O4","CN1Cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14;CN1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6","InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3","","2010-02-21","2024-09-27","",""],["9G9","5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole)","C20 H22 O4","O3c4cc(CC(C)C(Cc2cc1OCOc1cc2)C)ccc4OC3;C[CH](Cc1ccc2OCOc2c1)[CH](C)Cc3ccc4OCOc4c3;CC(Cc1ccc2c(c1)OCO2)C(C)Cc3ccc4c(c3)OCO4","InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14+","Machilin A","2018-04-17","2021-03-01","5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole)","2019-07-24"],["SGF","(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside","C24 H47 N O10 S","O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO;CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)N)O","InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-33-24-22(29)23(35-36(30,31)32)21(28)20(16-26)34-24/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22+,23-,24+/m0/s1","Sphingosine-1-galactoside-3-sulfate","2012-05-11","2021-03-01","(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside","2013-02-01"],["9GA","N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C22 H22 F3 N7 O3","n4cn(c1c(C)cn2ncc(c2n1)C(=O)NC(c3ccc(OC(F)(F)F)cc3)C(O)(C)C)nc4C;Cc1ncn(n1)c2nc3n(cc2C)ncc3C(=O)N[CH](c4ccc(OC(F)(F)F)cc4)C(C)(C)O;Cc1cn2c(c(cn2)C(=O)NC(c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C","InChI=1S/C22H22F3N7O3/c1-12-10-31-19(29-18(12)32-11-26-13(2)30-32)16(9-27-31)20(33)28-17(21(3,4)34)14-5-7-15(8-6-14)35-22(23,24)25/h5-11,17,34H,1-4H3,(H,28,33)/t17-/m0/s1","","2017-05-09","2017-12-22","N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2017-12-27"],["9GB","[(~{E})-3-methylhex-2-enyl] dihydrogen phosphate","C7 H15 O4 P","CCCC(C)=CCO[P](O)(O)=O;CCCC(=CCOP(=O)(O)O)C","InChI=1S/C7H15O4P/c1-3-4-7(2)5-6-11-12(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10)/b7-5+","","2017-05-18","2017-11-10","[(~{E})-3-methylhex-2-enyl] dihydrogen phosphate","2017-11-15"],["SGG","[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid","C18 H22 Cl2 N O3 P","C[CH](NC[CH](O)C[P](O)(=O)Cc1ccccc1)c2ccc(Cl)c(Cl)c2;CC(c1ccc(c(c1)Cl)Cl)NCC(CP(=O)(Cc2ccccc2)O)O","InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1","","2020-03-09","2020-06-26","[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid","2020-07-01"],["SGH","1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole","C17 H13 F3 N2","Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3;Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3","InChI=1S/C17H13F3N2/c1-12-7-8-14(11-15(12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3","","2020-11-16","2024-09-27","1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole","2021-06-16"],["9GC","2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid","C26 H22 N2 O6","COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc12;COc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccc(cc3)Cc4ccccc4","InChI=1S/C26H22N2O6/c1-33-26-21-14-19(11-12-20(21)24(31)23(28-26)25(32)27-15-22(29)30)34-18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14,31H,13,15H2,1H3,(H,27,32)(H,29,30)","","2022-01-14","2022-05-13","2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SGI","3-(4-hydroxyphenyl)propanamide","C9 H11 N O2","O=C(N)CCc1ccc(O)cc1;NC(=O)CCc1ccc(O)cc1;c1cc(ccc1CCC(=O)N)O","InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)","","2007-09-19","2011-06-04","3-(4-hydroxyphenyl)propanamide",""],["9GD","2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid","C32 H39 Cl N4 O6 S2","Nc1cc(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)ccc1C(O)=O;c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl","InChI=1S/C32H39ClN4O6S2/c33-26-8-5-23(6-9-26)22-37(27-3-1-2-4-27)45(42,43)29-12-10-28(11-13-29)44(40,41)36(20-24-15-17-35-18-16-24)21-25-7-14-30(32(38)39)31(34)19-25/h5-14,19,24,27,35H,1-4,15-18,20-22,34H2,(H,38,39)","","2016-12-06","2017-01-26","2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid","2017-02-01"],["SGJ","1,4-dideoxy-4-thio-nojirimycin","C6 H13 N O3 S","OC[CH]1NC[CH](O)[CH](O)[CH]1S;C1C(C(C(C(N1)CO)S)O)O","InChI=1S/C6H13NO3S/c8-2-3-6(11)5(10)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1","","2017-12-15","2019-01-25","(3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-5-sulfanyl-piperidine-3,4-diol","2019-01-30"],["9GE","(~{E})-13-methyltetradec-2-enoic acid","C15 H28 O2","CC(C)CCCCCCCCCC=CC(O)=O;CC(C)CCCCCCCCCC=CC(=O)O","InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h11,13-14H,3-10,12H2,1-2H3,(H,16,17)/b13-11+","","2017-05-18","2024-09-27","(~{E})-13-methyltetradec-2-enoic acid","2017-11-15"],["SGK","2-(pyridin-2-ylmethylamino)ethanoic acid","C8 H10 N2 O2","OC(=O)CNCc1ccccn1;c1ccnc(c1)CNCC(=O)O","InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)","","2020-11-16","2024-09-27","2-(pyridin-2-ylmethylamino)ethanoic acid","2021-12-01"],["9GF","2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol","C24 H40 O3","CCCCCCC(C)(C)c2ccc(C1C(CCC(C1)O)CCCO)c(c2)O;CCCCCCC(C)(C)c1ccc([CH]2C[CH](O)CC[CH]2CCCO)c(O)c1;CCCCCCC(C)(C)c1ccc(c(c1)O)C2CC(CCC2CCCO)O","InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1","","2018-04-20","2019-10-18","2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol","2019-10-23"],["SGL","1-HYDROXY-1-THIO-GLYCEROL","C3 H8 O3 S","OCC(O)CSO;OC[CH](O)CSO;C(C(CSO)O)O","InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1","","1999-07-08","2024-09-27","(2R)-2,3-dihydroxypropane-1-sulfenic acid",""],["9GH","2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid","C16 H16 I N3 O3 S","CCN(CC)c1sc2c(n1)c(C(O)=O)c(O)c(I)c2n3cccc3;CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O","InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)","","2017-05-18","2018-05-04","2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid","2018-05-09"],["SGM","MONOTHIOGLYCEROL","C3 H8 O2 S","OCC(O)CS;OC[CH](O)CS;C(C(CS)O)O","InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1","","1999-07-08","2024-09-27","(2R)-3-sulfanylpropane-1,2-diol",""],["9GI","benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)","C33 H51 N5 O7","CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NN(CC1CCNC1=O)C(=O)CC;CCC(=O)N(C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)[CH](NC(=O)OCc3ccccc3)[CH](C)OC(C)(C)C;CCC(=O)N(CC1CCNC1=O)NC(=O)C(CC2CCCCC2)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc3ccccc3","InChI=1S/C33H51N5O7/c1-6-27(39)38(20-25-17-18-34-29(25)40)37-30(41)26(19-23-13-9-7-10-14-23)35-31(42)28(22(2)45-33(3,4)5)36-32(43)44-21-24-15-11-8-12-16-24/h8,11-12,15-16,22-23,25-26,28H,6-7,9-10,13-14,17-21H2,1-5H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t22-,25+,26+,28+/m1/s1","","2021-10-13","2024-09-27","benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)","2023-04-12"],["SGN","2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose","C6 H13 N O11 S2","O=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O;C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O","InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1","N,O6-DISULFO-GLUCOSAMINE; 6-O-sulfo-N-sulfo-alpha-D-glucosamine; 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose;\n2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose","1999-07-08","2020-07-17","2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose",""],["9GJ","N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide","C19 H18 F4 N4 O5","n1cc(cc2NC(=O)CN(c12)C(NC(c3cc(c(cc3)OC(F)(F)F)F)COC)=O)OC;COC[CH](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c3ccc(OC(F)(F)F)c(F)c3;COCC(c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC","InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1","","2017-05-09","2017-08-18","N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide","2017-08-23"],["SGO","(3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid","C22 H25 N O3","Cc1ccc(cc1)[CH](CC(O)=O)NC(=O)Cc2ccc3CCCCc3c2;Cc1ccc(cc1)C(CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3","InChI=1S/C22H25NO3/c1-15-6-9-18(10-7-15)20(14-22(25)26)23-21(24)13-16-8-11-17-4-2-3-5-19(17)12-16/h6-12,20H,2-5,13-14H2,1H3,(H,23,24)(H,25,26)/t20-/m0/s1","","2023-04-12","2023-06-09","(3~{S})-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid","2023-06-14"],["9GK","3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid","C19 H16 I N O4","OC(=O)c1cc(OCCc2ccccc2)c(n3cccc3)c(I)c1O;c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O","InChI=1S/C19H16INO4/c20-16-17(21-9-4-5-10-21)15(12-14(18(16)22)19(23)24)25-11-8-13-6-2-1-3-7-13/h1-7,9-10,12,22H,8,11H2,(H,23,24)","","2017-05-18","2018-05-04","3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid","2018-05-09"],["SGP","GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE","C10 H12 N5 O6 P S","S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC(=O)c4nc3)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[P](O)(=S)O[CH]34;c1nc2c(n1C3C4C(C(O3)CO)OP(=S)(O4)O)N=C(NC2=O)N","InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1","","1999-07-08","2011-06-04","2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,9-dihydro-6H-purin-6-one",""],["9GL","5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide","C24 H28 Cl N3 O","CCc1c(nc2ccc(cc12)Cl)C(NCCc3ccc(cc3)N4CCCCC4)=O;CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc3ccc(cc3)N4CCCCC4;CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl","InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)","","2018-04-20","2019-10-18","5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide","2019-10-23"],["9GM","2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one","C10 H17 N6 O13 P3","C2(=Nc1n(cnc1C(=O)N2)C3OC(C(O)C3O)COP(=O)(OP(O)(=O)NP(O)(=O)O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5+,6-,9+/m0/s1","","2017-05-10","2017-12-01","2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one","2017-12-06"],["SGR","O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE","C4 H11 N2 O5 P","O=P(OC)(OCC(N)C(=O)O)N;CO[P](N)(=O)OC[CH](N)C(O)=O;COP(=O)(N)OCC(C(=O)O)N","InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12+/m0/s1","","2007-02-13","2024-09-27","O-[(R)-amino(methoxy)phosphoryl]-L-serine",""],["SGS","(E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL\n3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE","C17 H22 O10","O=C(OC1OC(C(O)C(O)C1O)CO)C=Cc2cc(OC)c(O)c(OC)c2;COc1cc(C=CC(=O)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(OC)c1O;COc1cc(cc(c1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1","1-O-SINAPOYL-BETA-D-GLUCOSE","2006-06-13","2020-06-17","1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose",""],["9GN","3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid","C14 H14 I N O3 S","CCCSc1cc(C(O)=O)c(O)c(I)c1n2cccc2;CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O","InChI=1S/C14H14INO3S/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)","","2017-05-18","2018-05-04","3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid","2018-05-09"],["SGT","2-amino-9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-1,9-dihydro-6H-purine-6-thione","C10 H16 N5 O12 P3 S","P(=O)(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)n2cnc3C(=S)NC(=Nc23)N)(O)=O;NC1=Nc2n(cnc2C(=S)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N","InChI=1S/C10H16N5O12P3S/c11-10-13-8-7(9(31)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,16H,1-2H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,31)/t4-,5+,6+/m0/s1","","2017-08-03","2017-09-08","2-amino-9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-1,9-dihydro-6H-purine-6-thione","2017-09-13"],["9GP","N-(hydroxyacetyl)-beta-D-glucopyranosylamine","C8 H15 N O7","O=C(NC1OC(C(O)C(O)C1O)CO)CO;OC[CH]1O[CH](NC(=O)CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)NC(=O)CO)O)O)O)O","InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1","N-(hydroxyacetyl)-beta-D-glucosylamine; N-(hydroxyacetyl)-D-glucosylamine; N-(hydroxyacetyl)-glucosylamine","2009-02-05","2020-07-17","N-(hydroxyacetyl)-beta-D-glucopyranosylamine",""],["SGU","(5S)-5-methyloxolane-2,2-diol","C5 H10 O3","CC1CCC(O)(O)O1;C[CH]1CCC(O)(O)O1;CC1CCC(O1)(O)O","InChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1","","2022-07-01","2023-01-06","(5S)-5-methyloxolane-2,2-diol","2023-01-11"],["9GQ","5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid","C15 H16 I N O4","CCCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2;CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O","InChI=1S/C15H16INO4/c1-2-3-8-21-11-9-10(15(19)20)14(18)12(16)13(11)17-6-4-5-7-17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)","","2017-05-18","2018-05-04","5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid","2018-05-09"],["SGV","SANGIVAMYCIN","C12 H15 N5 O5","O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N;NC(=O)c1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3ncnc(N)c13;c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C(=O)N","InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1","4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide","2010-07-27","2020-06-17","4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide",""],["9GR","2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","C22 H20 Cl N5 O2","CN1C(=O)C2=C(N[CH](CCO2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14;CN1c2ccc(cc2C3=C(C1=O)OCCC(N3)C4CC4)Nc5ccnc(c5C#N)Cl","InChI=1S/C22H20ClN5O2/c1-28-18-5-4-13(26-17-6-8-25-21(23)15(17)11-24)10-14(18)19-20(22(28)29)30-9-7-16(27-19)12-2-3-12/h4-6,8,10,12,16,27H,2-3,7,9H2,1H3,(H,25,26)/t16-/m1/s1","","2021-11-11","2022-08-22","2-chloranyl-4-[[(2~{R})-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","2022-06-15"],["9GS","5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide","C29 H33 N5 O4 S","c1(ccc(cc1)CNC(=O)N4CC2(CCCC2)c3nc(ccc34)c5c(OC)ncnc5C6CC6)S(CC)(=O)=O;CC[S](=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c4nc(ccc24)c5c(OC)ncnc5C6CC6)cc1;CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6","InChI=1S/C29H33N5O4S/c1-3-39(36,37)21-10-6-19(7-11-21)16-30-28(35)34-17-29(14-4-5-15-29)26-23(34)13-12-22(33-26)24-25(20-8-9-20)31-18-32-27(24)38-2/h6-7,10-13,18,20H,3-5,8-9,14-17H2,1-2H3,(H,30,35)","","2017-05-10","2018-05-11","5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide","2018-05-16"],["SGW","3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one","C16 H12 Cl N O2","Clc3ccc(C2=Cc1c(cccc1OC)C(=O)N2)cc3;COc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3;COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl","InChI=1S/C16H12ClNO2/c1-20-15-4-2-3-12-13(15)9-14(18-16(12)19)10-5-7-11(17)8-6-10/h2-9H,1H3,(H,18,19)","","2014-08-08","2015-07-24","3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one","2015-07-29"],["SGX","O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE","C4 H11 N2 O5 P","O=P(OC)(OCC(N)C(=O)O)N;CO[P](N)(=O)OC[CH](N)C(O)=O;COP(=O)(N)OCC(C(=O)O)N","InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1","","2007-02-13","2024-09-27","O-[(S)-amino(methoxy)phosphoryl]-L-serine",""],["9GT","3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid","C14 H12 I N O4","OC(=O)c1cc(OCC=C)c(n2cccc2)c(I)c1O;C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O","InChI=1S/C14H12INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h2-6,8,17H,1,7H2,(H,18,19)","","2017-05-18","2018-05-04","3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid","2018-05-09"],["SGZ","2-naphthalen-1-ylethanal","C12 H10 O","O=CCc1cccc2ccccc12;c1ccc2c(c1)cccc2CC=O","InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2","","2020-11-16","2024-09-27","2-naphthalen-1-ylethanal","2021-12-01"],["9GU","(1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone","C14 H14 F3 N5 O","C1N(CCN(C1)C(n2nncc2)=O)c3ccc(C(F)(F)F)cc3;FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3;c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3","InChI=1S/C14H14F3N5O/c15-14(16,17)11-1-3-12(4-2-11)20-7-9-21(10-8-20)13(23)22-6-5-18-19-22/h1-6H,7-10H2","","2018-04-20","2024-09-27","(1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone","2018-11-21"],["9GV","1-(4-fluorophenyl)-7-methoxy-N-{[4-(methylsulfamoyl)phenyl]methyl}-1H-pyrazolo[3,4-c]pyridine-4-carboxamide","C22 H20 F N5 O4 S","c4(ccc(CNC(c3cnc(OC)c1c3cnn1c2ccc(cc2)F)=O)cc4)S(NC)(=O)=O;CN[S](=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3n(ncc23)c4ccc(F)cc4)cc1;CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC","InChI=1S/C22H20FN5O4S/c1-24-33(30,31)17-9-3-14(4-10-17)11-25-21(29)19-12-26-22(32-2)20-18(19)13-27-28(20)16-7-5-15(23)6-8-16/h3-10,12-13,24H,11H2,1-2H3,(H,25,29)","","2017-05-10","2018-05-11","1-(4-fluorophenyl)-7-methoxy-N-{[4-(methylsulfamoyl)phenyl]methyl}-1H-pyrazolo[3,4-c]pyridine-4-carboxamide","2018-05-16"],["SH0","3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate","C42 H52 N4 O16","O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O;C[C]1(CC(O)=O)[CH](CCC(O)=O)[CH]2NC1=CC3=N[CH](C[CH]4N=C(C=C5NC(=C2)[C](C)(CC(O)=O)[CH]5CCC(O)=O)[CH](CC(O)=O)[CH]4CCC(O)=O)C(=C3CC(O)=O)CCC(O)=O;CC1(C(C2C=C3C(C(C(=CC4=NC(CC5C(=C(C(=N5)C=C1N2)CC(=O)O)CCC(=O)O)C(C4CC(=O)O)CCC(=O)O)N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C42H52N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,19,21,23-26,30,45-46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1","Sirohydrochlorin","2014-07-09","2021-03-01","3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid","2014-07-16"],["SH1","N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE","C20 H34 N6 O6 S","O=C(NC(CCC/N=C(N)N)CO)C(NC(=O)C(NS(=O)(=O)CCc1ccccc1)CO)C;C[CH](NC(=O)[CH](CO)N[S](=O)(=O)CCc1ccccc1)C(=O)N[CH](CO)CCCN=C(N)N;CC(C(=O)NC(CCCN=C(N)N)CO)NC(=O)C(CO)NS(=O)(=O)CCc1ccccc1","InChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1","","2004-06-15","2024-09-27","N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide",""],["9GW","3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid","C14 H14 I N O4","CCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2;CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O","InChI=1S/C14H14INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)","","2017-05-18","2018-05-04","3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid","2018-05-09"],["SH2","(R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide","C18 H26 N2 O6","O=C(NCCC(=O)NCCc1ccc2OCOc2c1)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1;CC(C)(CO)C(C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O","InChI=1S/C18H26N2O6/c1-18(2,10-21)16(23)17(24)20-8-6-15(22)19-7-5-12-3-4-13-14(9-12)26-11-25-13/h3-4,9,16,21,23H,5-8,10-11H2,1-2H3,(H,19,22)(H,20,24)/t16-/m0/s1","","2013-11-14","2014-02-21","(2R)-N-(3-{[2-(1,3-benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide","2014-02-26"],["9GX","2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one","C19 H24 N4 O2","c1(ccccc1OC)N4CCN(C=3NC(C=2CCCCC=2N=3)=O)CC4;COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3;COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3","InChI=1S/C19H24N4O2/c1-25-17-9-5-4-8-16(17)22-10-12-23(13-11-22)19-20-15-7-3-2-6-14(15)18(24)21-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,20,21,24)","","2018-04-27","2019-03-29","2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one","2019-04-03"],["SH3","N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C18 H27 N2 O9 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O","InChI=1S/C18H27N2O9P/c1-18(2,10-29-30(24,25)26)16(22)17(23)20-8-6-15(21)19-7-5-12-3-4-13-14(9-12)28-11-27-13/h3-4,9,16,22H,5-8,10-11H2,1-2H3,(H,19,21)(H,20,23)(H2,24,25,26)/t16-/m0/s1","","2013-11-14","2014-02-28","N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2014-03-05"],["9GY","3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide","C24 H23 N3 O4","CNC(=O)c1cccc(c1)c3cc2N(CC(N(c2cc3)C(=O)C)C)C(=O)c4ccco4;CNC(=O)c1cccc(c1)c2ccc3N([CH](C)CN(C(=O)c4occc4)c3c2)C(C)=O;CC1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4","InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1","","2017-05-10","2017-07-28","3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide","2017-08-02"],["SH4","(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE","C17 H19 N O4 P","O=C(Nc1ccc(cc1)CP([O-])(=O)OC(c2ccccc2)C)C;C[CH](O[P]([O-])(=O)Cc1ccc(NC(C)=O)cc1)c2ccccc2;CC(c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]","InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1","(1S)-1PHENYLETHYL [4-(ACETYLAMINO) BENZYL] PHOSPHATE","2003-09-29","2020-06-17","(1S)-1-phenylethyl [4-(acetylamino)benzyl]phosphonate",""],["9GZ","5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid","C17 H11 F I N O3","OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O;c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F","InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23)","","2017-05-18","2018-05-04","5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid","2018-05-09"],["SH5","5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine","C18 H27 Br N5 O8 P","BrCCCCCCCC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCCCCCBr)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N","InChI=1S/C18H27BrN5O8P/c19-7-5-3-1-2-4-6-12(25)32-33(28,29)30-8-11-14(26)15(27)18(31-11)24-10-23-13-16(20)21-9-22-17(13)24/h9-11,14-15,18,26-27H,1-8H2,(H,28,29)(H2,20,21,22)/t11-,14-,15-,18-/m1/s1","","2014-04-24","2017-03-10","5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine","2017-03-15"],["9H2","6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol","C11 H9 I2 N O2","OCc1cc(I)c(n2cccc2)c(I)c1O;c1ccn(c1)c2c(cc(c(c2I)O)CO)I","InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2","","2017-05-18","2018-05-04","6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol","2018-05-09"],["SH6","8-bromooctanoic acid","C8 H15 Br O2","O=C(O)CCCCCCCBr;OC(=O)CCCCCCCBr;C(CCCC(=O)O)CCCBr","InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)","","2014-05-02","2017-03-10","8-bromooctanoic acid","2017-03-15"],["9H3","1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one","C20 H21 N3 O3","C15(C(Oc2c1cccc2)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5;O=C1NC(=NC2=C1CCCC2)N3CCC4(CC3)C(=O)Oc5ccccc45;c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2","InChI=1S/C20H21N3O3/c24-17-13-5-1-3-7-15(13)21-19(22-17)23-11-9-20(10-12-23)14-6-2-4-8-16(14)26-18(20)25/h2,4,6,8H,1,3,5,7,9-12H2,(H,21,22,24)","","2018-04-27","2019-03-29","1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one","2019-04-03"],["SH7","(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate","C17 H11 Cl O4","Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3;Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl","InChI=1S/C17H11ClO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3","","2019-08-07","2024-09-27","(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate","2020-05-20"],["9H4","tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C37 H50 N6 O9 S","c6(OC2CC3C(=O)NC4(C(NS(C1(CC1)C)(=O)=O)=O)C(C=CCCCCCC(C(N3C2)=O)NC(=O)OC(C)(C)C)C4)nc5cc(OC)ccc5nc6C;COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC(C)(C)C)nc2c1;Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C","InChI=1S/C37H50N6O9S/c1-22-31(39-28-18-24(50-6)14-15-26(28)38-22)51-25-19-29-30(44)41-37(33(46)42-53(48,49)36(5)16-17-36)20-23(37)12-10-8-7-9-11-13-27(32(45)43(29)21-25)40-34(47)52-35(2,3)4/h10,12,14-15,18,23,25,27,29H,7-9,11,13,16-17,19-21H2,1-6H3,(H,40,47)(H,41,44)(H,42,46)/b12-10-/t23-,25-,27+,29+,37-/m1/s1","","2017-05-11","2017-06-16","tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2017-06-21"],["9H5","[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone","C16 H17 I2 N3 O2","CN1CCN(CC1)C(=O)c2cc(I)c(n3cccc3)c(I)c2O;CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I","InChI=1S/C16H17I2N3O2/c1-19-6-8-21(9-7-19)16(23)11-10-12(17)14(13(18)15(11)22)20-4-2-3-5-20/h2-5,10,22H,6-9H2,1H3","","2017-05-18","2018-05-04","[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone","2018-05-09"],["SH8","6-methyl-2-oxidanylidene-chromene-3-carboxylic acid","C11 H8 O4","Cc1ccc2OC(=O)C(=Cc2c1)C(O)=O;Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O","InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)","","2019-08-07","2024-09-27","6-methyl-2-oxidanylidene-chromene-3-carboxylic acid","2020-05-20"],["SH9","4-ethoxy-1-benzothiophene-2-carboximidamide","C11 H12 N2 O S","CCOc1cccc2sc(cc12)C(N)=N;CCOc1cccc2c1cc(s2)C(=N)N","InChI=1S/C11H12N2OS/c1-2-14-8-4-3-5-9-7(8)6-10(15-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13)","","2022-12-15","2024-09-17","4-ethoxy-1-benzothiophene-2-carboximidamide","2023-08-02"],["9H6","1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one","C21 H24 N4 O2","C15(C(N(C)c2ccccc12)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5;CN1C(=O)C2(CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3)c5ccccc15;CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4","InChI=1S/C21H24N4O2/c1-24-17-9-5-3-7-15(17)21(19(24)27)10-12-25(13-11-21)20-22-16-8-4-2-6-14(16)18(26)23-20/h3,5,7,9H,2,4,6,8,10-13H2,1H3,(H,22,23,26)","","2018-04-27","2019-03-29","1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one","2019-04-03"],["9H7","tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","C38 H46 N6 O8 S2","c3(c1cccs1)c(nc2ccccc2n3)OC4CN5C(C4)C(NC6(C(C=CCCCCCC(C5=O)NC(=O)OC(C)(C)C)C6)C(NS(C7CC7)(=O)=O)=O)=O;CC(C)(C)OC(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)Oc4nc5ccccc5nc4c6sccc6)C(=O)N[S](=O)(=O)C7CC7;CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7","InChI=1S/C38H46N6O8S2/c1-37(2,3)52-36(48)41-28-15-8-6-4-5-7-12-23-21-38(23,35(47)43-54(49,50)25-17-18-25)42-32(45)29-20-24(22-44(29)34(28)46)51-33-31(30-16-11-19-53-30)39-26-13-9-10-14-27(26)40-33/h7,9-14,16,19,23-25,28-29H,4-6,8,15,17-18,20-22H2,1-3H3,(H,41,48)(H,42,45)(H,43,47)/b12-7-/t23-,24-,28+,29+,38-/m1/s1","","2017-05-11","2017-06-16","tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate","2017-06-21"],["SHA","SALICYLHYDROXAMIC ACID","C7 H7 N O3","O=C(c1ccccc1O)NO;ONC(=O)c1ccccc1O;c1ccc(c(c1)C(=O)NO)O","InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)","","1999-07-08","2011-06-04","N,2-dihydroxybenzamide",""],["SHB","methyl beta-D-galactopyranuronate","C7 H12 O7","O=C(OC)C1OC(O)C(O)C(O)C1O;COC(=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;COC(=O)C1C(C(C(C(O1)O)O)O)O","InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6+/m0/s1","","2009-01-17","2020-07-17","methyl beta-D-galactopyranuronate",""],["9H8","1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide","C6 H11 F3 N2 O2 S","FC(F)(F)[S](=O)(=O)NC[CH]1CCCN1;C1CC(NC1)CNS(=O)(=O)C(F)(F)F","InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2/t5-/m0/s1","","2017-05-18","2017-05-26","1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide","2017-05-31"],["SHC","S-HEXYLCYSTEINE","C9 H19 N O2 S","O=C(O)C(N)CSCCCCCC;CCCCCCSC[CH](N)C(O)=O;CCCCCCSCC(C(=O)O)N","InChI=1S/C9H19NO2S/c1-2-3-4-5-6-13-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1","","1999-07-08","2011-06-04","S-hexyl-L-cysteine",""],["9H9","2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one","C22 H26 F2 N4 O2","C15(CN(c2c1c(cc(F)c2)F)CCO)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5;OCCN1CC2(CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3)c5c(F)cc(F)cc15;c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F","InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)","","2018-04-27","2019-03-29","2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one","2019-04-03"],["9HA","benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)","C30 H47 N5 O7","CC(=O)N(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)CC1CCCCC1;C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(=O)NN(CCC(N)=O)C(C)=O;CC(C(C(=O)NC(CC1CCCCC1)C(=O)NN(CCC(=O)N)C(=O)C)NC(=O)OCc2ccccc2)OC(C)(C)C","InChI=1S/C30H47N5O7/c1-20(42-30(3,4)5)26(33-29(40)41-19-23-14-10-7-11-15-23)28(39)32-24(18-22-12-8-6-9-13-22)27(38)34-35(21(2)36)17-16-25(31)37/h7,10-11,14-15,20,22,24,26H,6,8-9,12-13,16-19H2,1-5H3,(H2,31,37)(H,32,39)(H,33,40)(H,34,38)/t20-,24+,26+/m1/s1","","2021-10-13","2024-09-27","benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)","2023-04-12"],["SHD","alpha-D-altropyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1","alpha-D-altrose; D-altrose; altrose","2009-01-17","2020-07-17","alpha-D-altropyranose",""],["9HB","Dimethyl fumarate","C6 H10 O4","COC(=O)CCC(=O)OC;COC(=O)CCC(=O)OC","InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3","","2017-05-19","2024-09-27","dimethyl butanedioate","2018-05-30"],["SHF","LAEVULINIC ACID","C5 H8 O3","O=C(C)CCC(=O)O;CC(=O)CCC(O)=O;CC(=O)CCC(=O)O","InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)","LEVULINIC ACID","1999-07-08","2024-09-27","4-oxopentanoic acid",""],["SHG","2-deoxy-2-fluoro-beta-D-glucopyranose","C6 H11 F O5","FC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)F)O)O)O","InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6-/m1/s1","2-deoxy-2-fluoro-beta-D-glucose; 2-deoxy-2-fluoro-D-glucose; 2-deoxy-2-fluoro-glucose","2009-01-17","2024-09-27","2-deoxy-2-fluoro-beta-D-glucopyranose",""],["9HC","[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate","C16 H15 Br N O6 P","Cc1ncc(CO[P]([O-])([O-])=O)c(CCC(=O)c2ccc(Br)cc2)c1O;Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O","InChI=1S/C16H17BrNO6P/c1-10-16(20)14(12(8-18-10)9-24-25(21,22)23)6-7-15(19)11-2-4-13(17)5-3-11/h2-5,8,20H,6-7,9H2,1H3,(H2,21,22,23)/p-2","","2015-12-17","2024-09-27","[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate","2016-03-02"],["SHH","OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE","C14 H20 N2 O3","O=C(Nc1ccccc1)CCCCCCC(=O)NO;ONC(=O)CCCCCCC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)CCCCCCC(=O)NO","InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)","SAHA","1999-07-30","2021-03-01","N-hydroxy-N'-phenyloctanediamide",""],["9HD","1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one","C29 H43 N5 O5","C1=CN(C(C1)=O)C(CC(CC(N2C(CCC2)=O)CCN3C(=O)CCC3)N4C(CCC4)=O)CCN5C(CCC5)=O;O=C1CCCN1CC[CH](C[CH](C[CH](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O;C1CC(=O)N(C1)CCC(CC(CC(CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O","InChI=1S/C29H43N5O5/c35-25-6-1-13-30(25)18-11-22(32-15-3-8-27(32)37)20-24(34-17-5-10-29(34)39)21-23(33-16-4-9-28(33)38)12-19-31-14-2-7-26(31)36/h3,15,22-24H,1-2,4-14,16-21H2/t22-,23-,24-/m1/s1","Polyvinylpyrrolidone K15","2017-05-11","2020-06-17","1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one","2018-02-07"],["9HE","1-cyclopentyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine","C17 H17 N7","Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5;c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N","InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)","","2017-05-19","2017-07-19","1-cyclopentyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine","2017-06-28"],["SHI","(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID","C6 H8 N2 O4","O=C(O)C(N)Cc1conc1O;N[CH](Cc1conc1O)C(O)=O;c1c(c(no1)O)CC(C(=O)O)N","InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1","(S)-DES-ME-AMPA","2002-09-18","2021-03-01","3-(3-hydroxyisoxazol-4-yl)-L-alanine",""],["SHL","5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid","C7 H6 O5","O=C1C=C(OC(=C1O)C)C(=O)O;CC1=C(O)C(=O)C=C(O1)C(O)=O;CC1=C(C(=O)C=C(O1)C(=O)O)O","InChI=1S/C7H6O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2,9H,1H3,(H,10,11)","Comenic acid","2012-09-14","2024-09-27","5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid","2012-09-21"],["9HF","1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid","C22 H25 N3 O2","Cc1cc2c(cc1n3nnc4cc(ccc34)C(O)=O)C(C)(C)CCC2(C)C;Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)","1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid","2018-04-27","2020-06-17","1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid","2019-02-27"],["SHM","HOMOBIOTIN","C11 H18 N2 O3 S","O=C1NC2C(SCC2N1)CCCCCC(=O)O;OC(=O)CCCCC[CH]1SC[CH]2NC(=O)N[CH]12;C1C2C(C(S1)CCCCCC(=O)O)NC(=O)N2","InChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1","6-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-HEXANOIC ACID","2002-04-10","2020-06-17","6-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]hexanoic acid",""],["9HG","N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine","C22 H33 N5 O2","c13cc(c(cc1c(NC2CCN(C)CC2)nc(n3)N(C)C4CCCC4)OC)OC;COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C4CCCC4;CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC","InChI=1S/C22H33N5O2/c1-26-11-9-15(10-12-26)23-21-17-13-19(28-3)20(29-4)14-18(17)24-22(25-21)27(2)16-7-5-6-8-16/h13-16H,5-12H2,1-4H3,(H,23,24,25)","","2017-05-12","2017-07-07","N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine","2017-07-12"],["SHN","3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid","C42 H46 N4 O16","C4(C)(c5cc1nc(c(c1CC(O)=O)CCC(O)=O)cc2C(=C(c(n2)cc3nc(C(C)(C3CCC(=O)O)CC(O)=O)cc(C4CCC(O)=O)n5)CC(O)=O)CCC(=O)O)CC(O)=O;C[C]1(CC(O)=O)[CH](CCC(O)=O)c2[nH]c1cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O;CC1(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc([nH]2)C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O","InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,29-14-,31-15-,32-16-/t23?,24?,41-,42-/m0/s1","","2019-06-20","2020-02-21","3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid","2020-02-26"],["9HH","~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide","C19 H16 N2 O2 S","C[S](=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4ccccc34;CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4","InChI=1S/C19H16N2O2S/c1-24(22,23)21-18-12-5-3-8-14(18)16-10-6-9-15-13-7-2-4-11-17(13)20-19(15)16/h2-12,20-21H,1H3","","2017-05-20","2017-11-03","~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide","2017-11-08"],["SHO","5-HYDROXYLAEVULINIC ACID","C5 H10 O3","O=C(O)CCCCO;OCCCCC(O)=O;C(CCO)CC(=O)O","InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)","5-HYDROXYPENTANOIC ACID","2004-07-11","2024-09-27","5-hydroxypentanoic acid",""],["9HI","(3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid","C33 H35 F2 N3 O7 S","O=C(N)c1ccc(cc1)NS(=O)(=O)c3c(c(c2ccc(F)cc2)n(c3C(C)C)CCC(O)CC(O)CC(=O)O)c4ccc(F)cc4;CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c1[S](=O)(=O)Nc4ccc(cc4)C(N)=O;CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N","InChI=1S/C33H35F2N3O7S/c1-19(2)30-32(46(44,45)37-25-13-7-22(8-14-25)33(36)43)29(20-3-9-23(34)10-4-20)31(21-5-11-24(35)12-6-21)38(30)16-15-26(39)17-27(40)18-28(41)42/h3-14,19,26-27,37,39-40H,15-18H2,1-2H3,(H2,36,43)(H,41,42)/t26-,27-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid",""],["SHP","(4-HYDROXYMALTOSEPHENYL)GLYCINE","C20 H29 N O13","O=C(O)C(N)c3ccc(OC2OC(C(O)C(O)C2OC1OC(CO)C(O)C(O)C1O)CO)cc3;N[CH](C(O)=O)c1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1;c1cc(ccc1C(C(=O)O)N)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C20H29NO13/c21-11(18(29)30)7-1-3-8(4-2-7)31-20-17(15(27)13(25)10(6-23)33-20)34-19-16(28)14(26)12(24)9(5-22)32-19/h1-4,9-17,19-20,22-28H,5-6,21H2,(H,29,30)/t9-,10-,11+,12-,13-,14+,15+,16+,17+,19-,20+/m1/s1","","1999-07-08","2011-06-04","(2S)-amino{4-[(2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy]phenyl}ethanoic acid",""],["9HJ","6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine","C20 H31 N5 O2","c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(C)CC3)N(C)CCC;CCCN(C)c1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1;CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC","InChI=1S/C20H31N5O2/c1-6-9-25(3)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-7-10-24(2)11-8-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)","","2017-05-12","2017-07-07","6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine","2017-07-12"],["SHR","N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID","C11 H20 N2 O6","O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O;N[CH](CCCCN[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N","InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1","","2000-07-31","2011-06-04","N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid",""],["9HK","4-[(4-nitrophenyl)methyl]benzenesulfonamide","C13 H12 N2 O4 S","N[S](=O)(=O)c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1;c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]","InChI=1S/C13H12N2O4S/c14-20(18,19)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)","","2017-05-20","2018-01-12","4-[(4-nitrophenyl)methyl]benzenesulfonamide","2018-01-17"],["SHT","O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL)DITHIO]HEPT-2-ENOYL}-L-THREONINE","C13 H24 N O10 P S3","O=S(=O)(O)CCSSCCCCC=CC(=O)NC(C(=O)O)C(OP(=O)(O)O)C;C[CH](O[P](O)(O)=O)[CH](NC(=O)C=CCCCCSSCC[S](O)(=O)=O)C(O)=O;CC(C(C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O","InChI=1S/C13H24NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h4,6,10,12H,2-3,5,7-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/b6-4+/t10-,12+/m1/s1","","2001-04-26","2011-06-04","O-phosphono-N-{(2E)-7-[(2-sulfoethyl)disulfanyl]hept-2-enoyl}-L-threonine",""],["9HL","N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine","C19 H20 F N5","Fc1cccc(c1)C2CC2CNCCc3nc(ncc3)n4ccnc4;Fc1cccc(c1)[CH]2C[CH]2CNCCc3ccnc(n3)n4ccnc4;c1cc(cc(c1)F)C2CC2CNCCc3ccnc(n3)n4ccnc4","InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2/t15-,18-/m0/s1","2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)-N-(2-(3-FLUOROPHENYL)CYCLOPROPYLMETHYL)ETHAN-1-AMINE","2014-10-21","2020-06-17","N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine","2014-12-24"],["SHU","4,6-DIOXOHEPTANOIC ACID","C7 H10 O4","O=C(CC(=O)C)CCC(=O)O;CC(=O)CC(=O)CCC(O)=O;CC(=O)CC(=O)CCC(=O)O","InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)","SUCCINYLACETONE","2001-07-09","2024-09-27","4,6-dioxoheptanoic acid",""],["9HN","~{tert}-butyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate","C27 H29 Cl N4 O3","COc1ccc2n3c(C)nnc3[CH](N=C(c4ccc(Cl)cc4)c2c1)[CH](CC=C)C(=O)OC(C)(C)C;Cc1nnc2n1-c3ccc(cc3C(=NC2C(CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC","InChI=1S/C27H29ClN4O3/c1-7-8-20(26(33)35-27(3,4)5)24-25-31-30-16(2)32(25)22-14-13-19(34-6)15-21(22)23(29-24)17-9-11-18(28)12-10-17/h7,9-15,20,24H,1,8H2,2-6H3/t20-,24+/m1/s1","","2017-05-24","2018-02-09","~{tert}-butyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate","2018-02-14"],["SHV","HEPTANOIC ACID","C7 H14 O2","O=C(O)CCCCCC;CCCCCCC(O)=O;CCCCCCC(=O)O","InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)","","2004-04-19","2024-09-27","heptanoic acid",""],["9HO","(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid","C18 H32 O3","O=C(O)CCCCCCCC(O)C=CC=C/CCCCC;CCCCCC=CC=C[CH](O)CCCCCCCC(O)=O;CCCCCC=CC=CC(CCCCCCCC(=O)O)O","InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1","","2008-04-29","2011-06-04","(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid",""],["SHW","S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate","C19 H37 N2 O9 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC;CCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O","InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1","","2009-10-15","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate",""],["9HP","9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE","C18 H12 N2 O","n2cc(c1ccc(O)cc1)cc4c2ccc3ccncc34;Oc1ccc(cc1)c2cnc3ccc4ccncc4c3c2;c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4","InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H","","2003-06-16","2011-06-04","4-(2,7-phenanthrolin-9-yl)phenol",""],["SHX","Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide","C19 H18 Cl N5 O","O=C(N)C(Nc1nc(nc(c1Cl)C)c2ncccc2)Cc3ccccc3;Cc1nc(nc(N[CH](Cc2ccccc2)C(N)=O)c1Cl)c3ccccn3;Cc1c(c(nc(n1)c2ccccn2)NC(Cc3ccccc3)C(=O)N)Cl","InChI=1S/C19H18ClN5O/c1-12-16(20)19(25-18(23-12)14-9-5-6-10-22-14)24-15(17(21)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,21,26)(H,23,24,25)/t15-/m1/s1","","2013-01-10","2013-12-06","Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide","2013-12-11"],["9HQ","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide","C23 H24 Cl N5 O2","CCNC(=O)[CH](C)[CH]1N=C(c2ccc(Cl)cc2)c3ccc(OC)cc3n4c(C)nnc14;CCNC(=O)C(C)C1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C","InChI=1S/C23H24ClN5O2/c1-5-25-23(30)13(2)20-22-28-27-14(3)29(22)19-12-17(31-4)10-11-18(19)21(26-20)15-6-8-16(24)9-7-15/h6-13,20H,5H2,1-4H3,(H,25,30)/t13-,20+/m1/s1","","2017-05-24","2018-02-09","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide","2018-02-14"],["9HR","4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol","C26 H36 F N5 O2","CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(NCCCCCN(C)C)ncc3c2;CCc1cc(c(cc1c2cc3cnc(nc3c(c2)NC(C)CO)NCCCCCN(C)C)F)O","InChI=1S/C26H36FN5O2/c1-5-18-13-24(34)22(27)14-21(18)19-11-20-15-29-26(28-9-7-6-8-10-32(3)4)31-25(20)23(12-19)30-17(2)16-33/h11-15,17,30,33-34H,5-10,16H2,1-4H3,(H,28,29,31)/t17-/m0/s1","","2021-11-11","2022-08-22","4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol","2022-02-02"],["SHY","4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE","C24 H24 N4 O5","O=C1N(C(=O)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CC(O)CC34)Cc5ccc6OCOc6c5;NC(=N)c1ccc(cc1)[CH]2[CH]3[CH]([CH]4C[CH](O)CN24)C(=O)N(Cc5ccc6OCOc6c5)C3=O;[H]N=C(c1ccc(cc1)C2C3C(C4N2CC(C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)N","InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1","","2004-05-24","2011-06-04","4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["SI0","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)hydroxycopper","C26 H37 Cu N6 O5 S","[Cu]23(n1c(cccc1)CCN2(CCc4n3cccc4)CCNC(CCCCC5C6C(CS5)NC(N6)=O)=O)(O)OO;O.OO[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Cu.H2O2.H2O/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;;1-2;/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);;1-2H;1H2/q;+2;;/p-2/t22-,23-,25-;;;/m0.../s1","","2017-08-15","2017-11-17","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)hydroxycopper","2017-11-22"],["9HS","7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one","C24 H26 Cl N3 O3","c1c(ccc2C(=O)N(C=Nc12)CC3(CCN(CC3)C(CC(c4ccccc4)C)=O)O)Cl;C[CH](CC(=O)N1CCC(O)(CC1)CN2C=Nc3cc(Cl)ccc3C2=O)c4ccccc4;CC(CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4","InChI=1S/C24H26ClN3O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15H2,1H3/t17-/m0/s1","","2017-05-12","2017-12-15","7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one","2017-12-20"],["SI1","N-(BUTYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE","C18 H29 N5 O5 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)C)CO)CCCC;CCCC[S](=O)(=O)N[CH](CO)C(=O)N[CH](C)C(=O)NCc1ccc(cc1)C(N)=N;[H]N=C(c1ccc(cc1)CNC(=O)C(C)NC(=O)C(CO)NS(=O)(=O)CCCC)N","InChI=1S/C18H29N5O5S/c1-3-4-9-29(27,28)23-15(11-24)18(26)22-12(2)17(25)21-10-13-5-7-14(8-6-13)16(19)20/h5-8,12,15,23-24H,3-4,9-11H2,1-2H3,(H3,19,20)(H,21,25)(H,22,26)/t12-,15+/m0/s1","","2004-06-15","2011-06-04","N-(butylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-alaninamide",""],["9HT","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide","C24 H26 Cl N5 O2","CCNC(=O)[CH](CC)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14;CCC(C1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC","InChI=1S/C24H26ClN5O2/c1-5-18(24(31)26-6-2)22-23-29-28-14(3)30(23)20-12-11-17(32-4)13-19(20)21(27-22)15-7-9-16(25)10-8-15/h7-13,18,22H,5-6H2,1-4H3,(H,26,31)/t18-,22+/m1/s1","","2017-05-24","2018-02-09","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide","2018-02-14"],["SI2","O-SIALIC ACID (CHAIR CONFORMATION)","C11 H19 N O9","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1;CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O","InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1/f/h12,18H","","1999-07-08","2008-10-14","5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",""],["9HU","2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate","C22 H15 N O8 S","c1ccc2c(c1)C(c3c(C2=O)cc(c(c3O)O)NS(=O)(c4c(cccc4)OC(=O)C)=O)=O;CC(=O)Oc1ccccc1[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O;CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O","InChI=1S/C22H15NO8S/c1-11(24)31-16-8-4-5-9-17(16)32(29,30)23-15-10-14-18(22(28)21(15)27)20(26)13-7-3-2-6-12(13)19(14)25/h2-10,23,27-28H,1H3","2-(N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl)phenyl acetate","2018-04-30","2020-06-17","2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate","2019-05-01"],["9HV","{2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid","C14 H28 N O12 P","C1(N(CCP(O)(O)=O)C(CO)C(C1O)OC2C(O)C(C(C(CO)O2)O)O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)N(CC[P](O)(O)=O)[CH]2CO)[CH](O)[CH](O)[CH]1O;C(CP(=O)(O)O)N1C(C(C(C1CO)OC2C(C(C(C(O2)CO)O)O)O)O)CO","InChI=1S/C14H28NO12P/c16-3-6-9(19)13(7(4-17)15(6)1-2-28(23,24)25)27-14-12(22)11(21)10(20)8(5-18)26-14/h6-14,16-22H,1-5H2,(H2,23,24,25)/t6-,7-,8-,9-,10-,11+,12-,13-,14-/m1/s1","","2017-05-12","2017-05-26","{2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid","2017-05-31"],["SI3","5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid","C11 H19 N O9","O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO;CC(=O)N[CH]([CH](O)CC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C(CC(=O)C(=O)O)O)C(C(C(CO)O)O)O","InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1","N-acetylneuraminic acid, ketone form","2013-01-04","2024-09-27","5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid","2013-11-06"],["SI4","[CuII(biot-pr-dpea)]2+","C27 H38 Cu N6 O2 S","[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C27H38N6O2S.Cu/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22;/h3-6,8-9,14-15,23-24,26H,1-2,7,10-13,16-20H2,(H,30,34)(H2,31,32,35);/t23-,24-,26-;/m0./s1","","2016-05-26","2016-07-15","","2016-07-20"],["9HW","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide","C23 H24 Cl N5 O2","CCNC(=O)[CH](C)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14;CCNC(=O)C(C)C1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C","InChI=1S/C23H24ClN5O2/c1-5-25-23(30)13(2)20-22-28-27-14(3)29(22)19-11-10-17(31-4)12-18(19)21(26-20)15-6-8-16(24)9-7-15/h6-13,20H,5H2,1-4H3,(H,25,30)/t13-,20+/m1/s1","","2017-05-24","2018-02-09","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide","2018-02-14"],["SI5","(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","C17 H18 F2 N4 O S","Fc1ccc(c(F)c1)C42N=C(SCC4CC(OC2)c3cn(nc3)C)N;Cn1cc(cn1)[CH]2C[CH]3CSC(=N[C]3(CO2)c4ccc(F)cc4F)N;Cn1cc(cn1)C2CC3CSC(=NC3(CO2)c4ccc(cc4F)F)N","InChI=1S/C17H18F2N4OS/c1-23-7-10(6-21-23)15-4-11-8-25-16(20)22-17(11,9-24-15)13-3-2-12(18)5-14(13)19/h2-3,5-7,11,15H,4,8-9H2,1H3,(H2,20,22)/t11-,15+,17-/m0/s1","","2015-01-26","2015-03-27","(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","2015-04-01"],["9HX","9-DEAZAHYPOXANTHINE","C6 H5 N3 O","O=C1c2c(N=CN1)ccn2;O=C1NC=Nc2cc[nH]c12;c1c[nH]c2c1N=CNC2=O","InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10)","","2001-03-26","2011-06-04","3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["SI6","(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","C16 H16 F2 N4 O S","Fc1ccc(c(F)c1)C42N=C(SCC4CC(OC2)c3cnnc3)N;NC1=N[C]2(CO[CH](C[CH]2CS1)c3c[nH]nc3)c4ccc(F)cc4F;c1cc(c(cc1F)F)C23COC(CC2CSC(=N3)N)c4c[nH]nc4","InChI=1S/C16H16F2N4OS/c17-11-1-2-12(13(18)4-11)16-8-23-14(9-5-20-21-6-9)3-10(16)7-24-15(19)22-16/h1-2,4-6,10,14H,3,7-8H2,(H2,19,22)(H,20,21)/t10-,14+,16-/m0/s1","","2015-01-26","2015-05-15","(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine","2015-05-20"],["9HY","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide","C27 H24 N4 O5","CC(=O)N(C)c1c4ccc(C#N)cc4c(C)c(c1)Oc2c(cccc2)OCCN3C(NC(C=C3)=O)=O;CN(C(C)=O)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N","InChI=1S/C27H24N4O5/c1-17-21-14-19(16-28)8-9-20(21)22(30(3)18(2)32)15-25(17)36-24-7-5-4-6-23(24)35-13-12-31-11-10-26(33)29-27(31)34/h4-11,14-15H,12-13H2,1-3H3,(H,29,33,34)","","2017-05-12","2024-09-27","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide","2017-08-23"],["SI7","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper","C26 H36 Cu N6 O3 S","[Cu]23(n1c(cccc1)CCN2(CCc4n3cccc4)CCNC(CCCCC6C5NC(NC5CS6)=O)=O)O;O.[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Cu.H2O/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;;/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);;1H2/q;+1;/p-1/t22-,23-,25-;;/m0../s1","","2017-07-06","2017-11-17","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper","2017-11-22"],["9HZ","methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate","C24 H23 Cl N4 O3","COC(=O)[CH](CC=C)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14;Cc1nnc2n1-c3ccc(cc3C(=NC2C(CC=C)C(=O)OC)c4ccc(cc4)Cl)OC","InChI=1S/C24H23ClN4O3/c1-5-6-18(24(30)32-4)22-23-28-27-14(2)29(23)20-12-11-17(31-3)13-19(20)21(26-22)15-7-9-16(25)10-8-15/h5,7-13,18,22H,1,6H2,2-4H3/t18-,22+/m1/s1","","2017-05-24","2018-02-09","methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate","2018-02-14"],["SI8","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)copper","C26 H37 Cu N6 O4 S","[Cu]23(n1c(cccc1)CCN2(CCc4n3cccc4)CCNC(CCCCC6C5NC(NC5CS6)=O)=O)OO;OO[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Cu.H2O2/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;;1-2/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);;1-2H/q;+1;/p-1/t22-,23-,25-;;/m0../s1","","2017-07-06","2017-11-17","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)copper","2017-11-22"],["9I0","(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid","C19 H25 N O3","OC(=O)[CH](CC(=O)N1C[CH]2CCCC[CH]2C1)Cc3ccccc3;c1ccc(cc1)CC(CC(=O)N2CC3CCCCC3C2)C(=O)O","InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1","Mitiglinide","2022-01-14","2022-11-11","(2~{S})-4-[(3~{a}~{R},7~{a}~{S})-1,3,3~{a},4,5,6,7,7~{a}-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid","2022-11-16"],["SI9","[CuII(biot-bu-dpea)]2+","C28 H40 Cu N6 O2 S","[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C28H40N6O2S.Cu/c35-26(12-2-1-11-25-27-24(21-37-25)32-28(36)33-27)31-17-7-8-18-34(19-13-22-9-3-5-15-29-22)20-14-23-10-4-6-16-30-23;/h3-6,9-10,15-16,24-25,27H,1-2,7-8,11-14,17-21H2,(H,31,35)(H2,32,33,36);/t24-,25-,27-;/m0./s1","","2016-05-26","2016-07-15","","2016-07-20"],["9I2","4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol","C19 H21 F N4 O2","CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(N)ncc3c2;CCc1cc(c(cc1c2cc3cnc(nc3c(c2)NC(C)CO)N)F)O","InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1","","2021-11-11","2022-08-22","4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol","2022-02-02"],["SIA","N-acetyl-alpha-neuraminic acid","C11 H19 N O9","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1;CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O","InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1","N-acetylneuraminic acid; sialic acid; alpha-sialic acid; O-SIALIC ACID","1999-07-08","2024-09-27","5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",""],["9I3","3-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-c][2,7]naphthyridin-5-one","C25 H21 Cl2 N3 O","Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)c5cccnc25)cc1;c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4c3cccn4)Cc5ccc(cc5)Cl","InChI=1S/C25H21Cl2N3O/c26-19-8-6-17(7-9-19)15-30-24-22(5-2-11-28-24)21-10-12-29(16-23(21)25(30)31)14-18-3-1-4-20(27)13-18/h1-9,11,13H,10,12,14-16H2","","2022-01-15","2024-08-30","3-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1~{H}-pyrido[2,3-c][2,7]naphthyridin-5-one","2024-09-04"],["SIB","(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID","C14 H19 N5 O6 S","O=C(O)C(N)CCSCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O;N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23)C(O)=O;c1nc2c(n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N=CNC2=O","InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1","","2007-04-26","2011-06-04","(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",""],["9I4","(2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid","C46 H41 N3 O7","O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)C(=O)NCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O;Cc1ccc2oc(C#Cc3cccc(CN4CCN(CCNC(=O)c5cccc(c5)C#Cc6oc7ccc(C)cc7c6CC(O)=O)CC4)c3)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)CN4CCN(CC4)CCNC(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O","InChI=1S/C46H41N3O7/c1-30-9-13-40-36(23-30)38(27-44(50)51)42(55-40)15-11-32-5-3-7-34(25-32)29-49-21-19-48(20-22-49)18-17-47-46(54)35-8-4-6-33(26-35)12-16-43-39(28-45(52)53)37-24-31(2)10-14-41(37)56-43/h3-10,13-14,23-26H,17-22,27-29H2,1-2H3,(H,47,54)(H,50,51)(H,52,53)","","2021-10-13","2022-10-14","(2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid","2022-10-19"],["SIC","(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid","C7 H10 N2 O4 S","O=C1N(C(=O)CC1N)C(C(=O)O)CS;N[CH]1CC(=O)N([CH](CS)C(O)=O)C1=O;C1C(C(=O)N(C1=O)C(CS)C(=O)O)N","InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1","","2008-06-24","2024-09-27","(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid",""],["9I5","4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol","C15 H13 N3 O2","COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3;COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O","InChI=1S/C15H13N3O2/c1-20-13-7-10(9-2-4-12(19)5-3-9)6-11-8-17-15(16)18-14(11)13/h2-8,19H,1H3,(H2,16,17,18)","","2021-11-11","2022-08-22","4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol","2022-02-02"],["SID","methyl 9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C14 H23 N O9 S","O=C(SCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C)C;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CSC(C)=O)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CSC(=O)C)O)O)(C(=O)O)OC)O","InChI=1S/C14H23NO9S/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)24-12(10)11(20)9(19)5-25-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1","methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;\n5-N-acetyl-9-S-acetyl-9-thioneuraminic acid methyl glycoside; methyl\n9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-galacto-non-2-ulosidonic acid","2009-07-24","2020-07-17","methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["9I6","(2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide","C32 H33 Br Cl N5 O4","C[CH](O)[CH](N)C(=O)N(CCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O)Cc3cccc(c3)c4ccc5C(=O)NCc5c4;CC(C(C(=O)N(CCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)Cc3cccc(c3)c4ccc5c(c4)CNC5=O)N)O","InChI=1S/C32H33BrClN5O4/c1-19(40)29(35)32(43)38(10-3-2-4-11-39-18-37-28-15-26(33)27(34)14-25(28)31(39)42)17-20-6-5-7-21(12-20)22-8-9-24-23(13-22)16-36-30(24)41/h5-9,12-15,18-19,29,40H,2-4,10-11,16-17,35H2,1H3,(H,36,41)/t19-,29+/m1/s1","","2022-01-18","2022-04-22","(2~{S},3~{R})-2-azanyl-~{N}-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-~{N}-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide","2022-04-27"],["SIE","SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-1H-INDOL-6-YL ESTER","C24 H33 N3 O6 S2","O=S(=O)(Oc1ccc(cc1)c3cc2ccc(OS(=O)(=O)N)cc2n3CCCCCCCCCC)N;CCCCCCCCCCn1c2cc(O[S](N)(=O)=O)ccc2cc1c3ccc(O[S](N)(=O)=O)cc3;CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N","InChI=1S/C24H33N3O6S2/c1-2-3-4-5-6-7-8-9-16-27-23(19-10-13-21(14-11-19)32-34(25,28)29)17-20-12-15-22(18-24(20)27)33-35(26,30)31/h10-15,17-18H,2-9,16H2,1H3,(H2,25,28,29)(H2,26,30,31)","","2006-10-19","2011-06-04","4-[1-decyl-6-(sulfamoyloxy)-1H-indol-2-yl]phenyl sulfamate",""],["9I7","(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C23 H34 F3 N5 O4","CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=N)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C=N)C","InChI=1S/C23H34F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h9,11-16,27H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/b27-9-/t11-,12-,13-,14-,15-,16+/m0/s1","","2021-10-13","2022-02-08","(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2021-10-20"],["9I8","4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol","C19 H17 N5 O2","COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)c4ccc(O)cc4;Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O","InChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23)","","2021-11-11","2022-08-22","4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol","2022-02-02"],["SIF","3-TRIMETHYLSILYLSUCCINIC ACID","C7 H14 O4 Si","O=C(O)C(CC(=O)O)[Si](C)(C)C;C[Si](C)(C)[CH](CC(O)=O)C(O)=O;C[Si](C)(C)C(CC(=O)O)C(=O)O","InChI=1S/C7H14O4Si/c1-12(2,3)5(7(10)11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)(H,10,11)","","1999-07-08","2011-06-04","(2R)-2-(trimethylsilyl)butanedioic acid",""],["SIG","STIGMATELLIN","C30 H42 O5","O=C1c2c(OC(=C1C)CCC(C)C(C)C(C)C(C=CC=CC(=CC)C)C)c(O)c(OC)cc2OC;COc1cc(OC)c2C(=O)C(=C(CC[CH](C)[CH](C)[CH](C)[CH](C)C=CC=CC(C)=CC)Oc2c1O)C;CC=C(C)C=CC=CC(C)C(C)C(C)C(C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C","InChI=1S/C30H42O5/c1-10-18(2)13-11-12-14-19(3)21(5)22(6)20(4)15-16-24-23(7)28(31)27-25(33-8)17-26(34-9)29(32)30(27)35-24/h10-14,17,19-22,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,20+,21-,22+/m0/s1","","1999-07-08","2011-06-04","8-hydroxy-5,7-dimethoxy-3-methyl-2-[(3R,4R,5R,6S,7E,9E,11E)-3,4,5,6,11-pentamethyltrideca-7,9,11-trien-1-yl]-4H-chromen-4-one",""],["9I9","(2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide","C30 H28 Cl2 F3 N5 O4","C[CH](O)[CH](N)C(=O)N[CH](CNC(=O)CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O)c3cccc(c3)c4ccc(cc4)C(F)(F)F;CC(C(C(=O)NC(CNC(=O)CCN1C=Nc2cc(c(cc2C1=O)Cl)Cl)c3cccc(c3)c4ccc(cc4)C(F)(F)F)N)O","InChI=1S/C30H28Cl2F3N5O4/c1-16(41)27(36)28(43)39-25(19-4-2-3-18(11-19)17-5-7-20(8-6-17)30(33,34)35)14-37-26(42)9-10-40-15-38-24-13-23(32)22(31)12-21(24)29(40)44/h2-8,11-13,15-16,25,27,41H,9-10,14,36H2,1H3,(H,37,42)(H,39,43)/t16-,25+,27+/m1/s1","","2022-01-18","2022-04-22","(2~{S},3~{R})-2-azanyl-~{N}-[(1~{R})-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide","2022-04-27"],["SIH","PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE","C25 H34 O6","O=C(O)CCC(=O)OC3CC4(C(C2C3C1(C(=CC(=O)CC1)CC2)C)CCC4C(=O)C)C;CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](C[C]12C)OC(=O)CCC(O)=O;CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)OC(=O)CCC(=O)O)C","InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1","","1999-07-08","2011-06-04","4-{[(8alpha,11beta,14beta,17alpha)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoic acid",""],["9IB","3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid","C30 H34 N4 O8 S","CN(C)C(=O)[CH]1CSCc2c(cccc2c3cccc(c3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1;CC(=O)N1CCCC1C(=O)NC2COC(=O)c3cccc(c3CSCC(NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O","InChI=1S/C30H34N4O8S/c1-17(35)34-12-6-11-25(34)27(37)31-23-14-42-30(41)21-10-5-9-20(18-7-4-8-19(13-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4-5,7-10,13,23-25H,6,11-12,14-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1","","2021-11-11","2022-08-22","3-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid","2022-03-16"],["SII","N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide","C28 H34 F N5 O2","Fc5cccc(N2C(=O)N=C(NC1CCCCC1)C23CCN(CC3)Cc4ccc(NC(=O)C)cc4)c5;CC(=O)Nc1ccc(CN2CCC3(CC2)N(C(=O)N=C3NC4CCCCC4)c5cccc(F)c5)cc1;CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5","InChI=1S/C28H34FN5O2/c1-20(35)30-24-12-10-21(11-13-24)19-33-16-14-28(15-17-33)26(31-23-7-3-2-4-8-23)32-27(36)34(28)25-9-5-6-22(29)18-25/h5-6,9-13,18,23H,2-4,7-8,14-17,19H2,1H3,(H,30,35)(H,31,32,36)","","2008-08-15","2011-06-04","N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide",""],["9IC","(2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide","C29 H29 Br Cl N5 O4","C[CH](O)[CH](N)C(=O)N[CH](CNC(=O)CCN1C=Nc2cc(Br)c(Cl)cc2C1=O)c3cccc(c3)c4ccccc4;CC(C(C(=O)NC(CNC(=O)CCN1C=Nc2cc(c(cc2C1=O)Cl)Br)c3cccc(c3)c4ccccc4)N)O","InChI=1S/C29H29BrClN5O4/c1-17(37)27(32)28(39)35-25(20-9-5-8-19(12-20)18-6-3-2-4-7-18)15-33-26(38)10-11-36-16-34-24-14-22(30)23(31)13-21(24)29(36)40/h2-9,12-14,16-17,25,27,37H,10-11,15,32H2,1H3,(H,33,38)(H,35,39)/t17-,25+,27+/m1/s1","","2022-01-18","2022-04-22","(2~{S},3~{R})-2-azanyl-~{N}-[(1~{R})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide","2022-04-27"],["SIJ","6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE","C14 H20 N6","n4c1c(ncnc1N3CCC2(NCCCC2)CC3)nc4;C1CCC2(CCN(CC2)c3ncnc4[nH]cnc34)NC1;c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3","InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)","","2013-02-20","2014-09-05","9-(9H-purin-6-yl)-1,9-diazaspiro[5.5]undecane","2013-03-06"],["9ID","6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide","C22 H23 N7 O2","Cn1cc(Nc2ncc(nc2C(N)=O)C2=CCCC(NC(=O)c3ccccc3)C2)cn1;Cn1cc(Nc2ncc(nc2C(N)=O)C3=CCC[CH](C3)NC(=O)c4ccccc4)cn1;Cn1cc(cn1)Nc2c(nc(cn2)C3=CCCC(C3)NC(=O)c4ccccc4)C(=O)N","InChI=1S/C22H23N7O2/c1-29-13-17(11-25-29)26-21-19(20(23)30)28-18(12-24-21)15-8-5-9-16(10-15)27-22(31)14-6-3-2-4-7-14/h2-4,6-8,11-13,16H,5,9-10H2,1H3,(H2,23,30)(H,24,26)(H,27,31)/t16-/m1/s1","","2021-10-15","2022-02-25","6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide","2022-03-02"],["SIK","Bis-biotinylated Iron-porphyrin","C48 H56 Fe N12 O12 S4","O[S](=O)(=O)C[CH](NC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(=O)NCC3=C4C=CC5=Cc6ccc7n6[Fe]([N]45)[N]8C(=Cc9nc3cc9)C=CC8=C7CNC(=O)[CH](C[S](O)(=O)=O)NC(=O)CCCC[CH]%10SC[CH]%11NC(=O)N[CH]%10%11;c1cc2n3c1C=C4C=CC5=C(C6=CC=C7[N]6=[Fe]3(N45)N8C(=C7)C=CC8=C2CNC(=O)C(CS(=O)(=O)O)NC(=O)CCCCC9C1C(CS9)NC(=O)N1)CNC(=O)C(CS(=O)(=O)O)NC(=O)CCCCC1C2C(CS1)NC(=O)N2","InChI=1S/C48H56N12O12S4.Fe/c61-41(7-3-1-5-39-43-35(21-73-39)57-47(65)59-43)55-37(23-75(67,68)69)45(63)49-19-29-31-13-9-25(51-31)17-27-11-15-33(53-27)30(34-16-12-28(54-34)18-26-10-14-32(29)52-26)20-50-46(64)38(24-76(70,71)72)56-42(62)8-4-2-6-40-44-36(22-74-40)58-48(66)60-44;/h9-18,35-40,43-44H,1-8,19-24H2,(H,49,63)(H,50,64)(H,55,61)(H,56,62)(H2,57,59,65)(H2,58,60,66)(H,67,68,69)(H,70,71,72);/q-4;+4/b25-17-,26-18-,27-17-,28-18-,31-29-,32-29-,33-30-,34-30-;/t35-,36-,37-,38-,39-,40-,43-,44-;/m0./s1","","2023-08-28","2024-09-06","","2024-09-11"],["9IE","2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","C20 H18 Cl N5 O2","C[CH]1CCOC2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O;CC1CCOC2=C(N1)c3cc(ccc3N(C2=O)C)Nc4ccnc(c4C#N)Cl","InChI=1S/C20H18ClN5O2/c1-11-6-8-28-18-17(24-11)13-9-12(3-4-16(13)26(2)20(18)27)25-15-5-7-23-19(21)14(15)10-22/h3-5,7,9,11,24H,6,8H2,1-2H3,(H,23,25)/t11-/m0/s1","","2021-11-12","2022-08-22","2-chloranyl-4-[[(2~{S})-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","2022-06-15"],["SIL","[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE","C12 H23 O5 P","O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C;CC1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1;CC1(OCC(O1)COP(=O)(CCCCC=C)O)C","InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1","O-[(S)-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE; O-[(S)-IPG] 6-HEXENYL PHOSPHONATE","2003-10-16","2024-09-27","[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (R)-hex-5-en-1-ylphosphonate",""],["9IF","2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid","C25 H20 N2 O7","COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc12;COc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccc(cc3)Oc4ccccc4","InChI=1S/C25H20N2O7/c1-32-25-20-13-18(11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29)34-17-9-7-16(8-10-17)33-15-5-3-2-4-6-15/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29)","","2022-01-18","2022-05-13","2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SIM","Simvastatin acid","C25 H40 O6","O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(OC(=O)C(C)(C)CC)C12)C)C;CCC(C)(C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH](O)C[CH](O)CC(O)=O)[CH]12;CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C","InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1","DIMETHYL-COMPACTIN","2001-01-16","2020-06-17","(3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl}-3,5-dihydroxyheptanoic acid",""],["9IG","3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine","C18 H22 Cl N O","Clc1ccccc1CCCNC(C)c1cccc(OC)c1;COc1cccc(c1)[CH](C)NCCCc2ccccc2Cl;CC(c1cccc(c1)OC)NCCCc2ccccc2Cl","InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1","","2021-10-15","2022-01-14","3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine","2022-01-19"],["9IH","2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","C22 H18 Cl F2 N5 O2","CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(Cl)c5C#N)ccc14;CN1c2ccc(cc2C3=C(C1=O)OCC(C(N3)C4CC4)(F)F)Nc5ccnc(c5C#N)Cl","InChI=1S/C22H18ClF2N5O2/c1-30-16-5-4-12(28-15-6-7-27-20(23)14(15)9-26)8-13(16)17-18(21(30)31)32-10-22(24,25)19(29-17)11-2-3-11/h4-8,11,19,29H,2-3,10H2,1H3,(H,27,28)/t19-/m0/s1","","2021-11-12","2022-08-22","2-chloranyl-4-[[(2~{S})-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile","2022-06-15"],["SIN","SUCCINIC ACID","C4 H6 O4","O=C(O)CCC(=O)O;OC(=O)CCC(O)=O;C(CC(=O)O)C(=O)O","InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)","","1999-07-08","2026-02-23","butanedioic acid",""],["SIO","methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C16 H25 N O11","O=C(OCC(O)C(O)C1OC(OC)(C(=O)O)CC(OC(=O)C)C1NC(=O)C)C;CO[C]1(C[CH](OC(C)=O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)COC(C)=O)C(O)=O;CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C","InChI=1S/C16H25NO11/c1-7(18)17-12-11(27-9(3)20)5-16(25-4,15(23)24)28-14(12)13(22)10(21)6-26-8(2)19/h10-14,21-22H,5-6H2,1-4H3,(H,17,18)(H,23,24)/t10-,11+,12-,13-,14-,16-/m1/s1","methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid; methyl\n4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosidonic acid","2008-03-20","2020-07-17","methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["9II","2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid","C25 H20 N2 O6","COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(cc3)c4ccccc4)cc12;COc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccc(cc3)c4ccccc4","InChI=1S/C25H20N2O6/c1-32-25-20-13-18(33-17-9-7-16(8-10-17)15-5-3-2-4-6-15)11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29)","","2022-01-18","2022-05-13","2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SIP","8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","C23 H26 F N3 O2","Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4;c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F","InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)","Spiperone","2017-08-08","2021-03-01","8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","2020-12-30"],["9IJ","2-cyano-L-phenylalanine","C10 H10 N2 O2","NC(Cc1ccccc1C#N)C(=O)O;N[CH](Cc1ccccc1C#N)C(O)=O;c1ccc(c(c1)CC(C(=O)O)N)C#N","InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1","","2021-10-18","2024-09-27","2-cyano-L-phenylalanine","2022-05-11"],["9IK","~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C18 H14 N4 O","[nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3;c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3","InChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22)","","2021-11-12","2022-08-22","~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2022-03-09"],["SIQ","methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate","C22 H25 F2 N7 O3","FC(F)Oc1nc(cnc1N)c1cc(nc(c1)N1CC2CC1C2)N1CC2CC1CN2C(=O)OC;COC(=O)N1C[CH]2C[CH]1CN2c3cc(cc(n3)N4CC5CC4C5)c6cnc(N)c(OC(F)F)n6;COC(=O)N1CC2CC1CN2c3cc(cc(n3)N4CC5CC4C5)c6cnc(c(n6)OC(F)F)N","InChI=1S/C22H25F2N7O3/c1-33-22(32)31-10-14-6-15(31)9-30(14)18-5-12(4-17(28-18)29-8-11-2-13(29)3-11)16-7-26-19(25)20(27-16)34-21(23)24/h4-5,7,11,13-15,21H,2-3,6,8-10H2,1H3,(H2,25,26)/t11-,13+,14-,15-/m0/s1","","2022-07-05","2022-12-09","methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate","2022-12-14"],["SIR","COBALT SIROHYDROCHLORIN","C42 H44 Co N4 O16","O=C(O)CC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(CC(=O)O)c4cc5[n+]6c(cc7[n+]8=C(C=C1n2[Co+2]68n43)C(CCC(=O)O)C7(C)CC(=O)O)C(CCC(=O)O)C5(C)CC(=O)O;C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=[N+]3C1=CC4=[N+]5C(=Cc6n7c(C=C8[N](C(=C2)C(=C8CCC(O)=O)CC(O)=O)[Co++]357)c(CCC(O)=O)c6CC(O)=O)[C](C)(CC(O)=O)[CH]4CCC(O)=O;CC1(c2cc3c(c(c4n3[Co+2]56[n+]2c(cc7[n+]5c(cc8n6c(c4)c(c8CC(=O)O)CCC(=O)O)C(C7(C)CC(=O)O)CCC(=O)O)C1CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+6/p-2/t23-,24-,41+,42+;/m1./s1","","2010-11-04","2024-09-09","(SP-4-3)-[(2S,3S,17S,18S,22R,23S)-3,8,12,18-tetrakis(2-carboxyethyl)-2,7,13,17-tetrakis(carboxymethyl)-2,17-dimethyl-17,18-dihydro-2H,3H-porphine-22,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]cobalt(4+)",""],["9IL","2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","C28 H24 N2 O7","COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4ccccc4)cc12;Cc1cc(cc(c1Oc2ccc3c(c2)c(nc(c3O)C(=O)NCC(=O)O)OC)C)C(=O)c4ccccc4","InChI=1S/C28H24N2O7/c1-15-11-18(24(33)17-7-5-4-6-8-17)12-16(2)26(15)37-19-9-10-20-21(13-19)28(36-3)30-23(25(20)34)27(35)29-14-22(31)32/h4-13,34H,14H2,1-3H3,(H,29,35)(H,31,32)","","2022-01-18","2022-05-13","2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SIS","(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","C19 H37 N5 O7","O(C2C(O)C(OC1OC(=CCC1N)CN)C(N)CC2N)C3OCC(O)(C(NC)C3O)C;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3OC(=CC[CH]3N)CN)[CH]2O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O","InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1","Sisomicin","2012-06-12","2021-03-01","(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside",""],["9IM","1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide","C25 H19 Cl F4 N2 O2","Fc1cc(F)cc(F)c1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C;CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c3cc(ccc13)C(=O)NCc4c(F)cc(F)cc4F;CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C","InChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33)","","2021-10-18","2022-01-28","1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide","2022-02-02"],["SIT","De-acetylated Fusicoccin","C34 H54 O11","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)O)O)C(C)COC(=O)C)O)C)COC","InChI=1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1","[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate","2022-12-15","2023-12-22","[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate","2023-12-27"],["9IN","N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE","C32 H49 N5 O8","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC(C)C)C(C)C)C(C)C)c2ccoc2;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](NC(=O)c2cocc2)C(C)C)C(C)C;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)c2ccoc2","InChI=1S/C32H49N5O8/c1-8-45-25(38)10-9-23(16-21-11-13-33-28(21)39)34-30(41)24(15-18(2)3)35-31(42)26(19(4)5)37-32(43)27(20(6)7)36-29(40)22-12-14-44-17-22/h9-10,12,14,17-21,23-24,26-27H,8,11,13,15-16H2,1-7H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)(H,37,43)/b10-9+/t21-,23+,24-,26-,27-/m0/s1","(E)-(4S,6S)-6-((S)-2-{(S)-2-[(FURAN-2-CARBONYL)-AMINO]-3-METHYL-BUTYRYLAMINO}-3-METHYL-BUTYRYLAMINO)-8-METHYL-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID ETHYL ESTER","2005-08-22","2024-09-27","N-(furan-3-ylcarbonyl)-L-valyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide",""],["SIU","(2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid","C23 H27 N O3","C[CH]([CH](NC(=O)Cc1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O;Cc1ccc(cc1)C(C(C)C(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3","InChI=1S/C23H27NO3/c1-15-7-10-19(11-8-15)22(16(2)23(26)27)24-21(25)14-17-9-12-18-5-3-4-6-20(18)13-17/h7-13,16,22H,3-6,14H2,1-2H3,(H,24,25)(H,26,27)/t16-,22+/m1/s1","","2023-04-12","2023-06-09","(2~{R},3~{S})-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid","2023-06-14"],["9IO","~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C13 H12 N4 O","COc1ccc(Nc2ncnc3[nH]ccc23)cc1;COc1ccc(cc1)Nc2c3cc[nH]c3ncn2","InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17)","","2021-11-12","2022-08-22","~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2022-03-09"],["SIV","(3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name)","C6 H8 O7","OC1COC2(O)C1OC(=O)C2(O)O;O[CH]1CO[C]2(O)[CH]1OC(=O)C2(O)O;C1C(C2C(O1)(C(C(=O)O2)(O)O)O)O","InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1","","2022-07-05","2023-01-13","(3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name)","2023-01-18"],["9IP","N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE","C18 H18 N4 O","O(c1cc(cnc1)c2cccc(c2)CNc3cccnc3N)C;COc1cncc(c1)c2cccc(CNc3cccnc3N)c2;COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N","InChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21)","","2007-01-12","2011-06-04","N~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine",""],["SIW","Keggin (STA)","O40 Si W12","O.O.O.O.O.O.O.O.O.O.O.O.O1[W]234O[W]567O[W]89%10O[W]1%11%12O[W]%13%14(O8)O[W]%15%16%17O[W]%18(O2)(O%11)O[W]%19%20(O[W]%21(O3)(O5)O[W]%22%23(O%19)O[W]%24(O6)(O9)O[W](O%13)(O%15)(O%22)[O]%23%24[Si]([O]47%21)([O]%10%12%14)[O]%16%18%20)O%17;[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/O4Si.12H2O.24O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+1/p-12","","2019-02-21","2020-03-13","","2020-03-18"],["9IQ","2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","C31 H30 N2 O7","CCOc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(C)cc(C)c4)cc12;CCOc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3c(cc(cc3C)C(=O)c4cc(cc(c4)C)C)C","InChI=1S/C31H30N2O7/c1-6-39-31-24-14-22(7-8-23(24)28(37)26(33-31)30(38)32-15-25(34)35)40-29-18(4)12-21(13-19(29)5)27(36)20-10-16(2)9-17(3)11-20/h7-14,37H,6,15H2,1-5H3,(H,32,38)(H,34,35)","","2022-01-18","2022-05-13","2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SIX","2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide","C26 H29 F N4 O4","O=C(NCCc1cnnc1)Cc5cc(C2CCNCC2COc3ccc4c(c3)OCO4)ccc5F;Fc1ccc(cc1CC(=O)NCCc2c[nH]nc2)[CH]3CCNC[CH]3COc4ccc5OCOc5c4;c1cc(c(cc1C2CCNCC2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F","InChI=1S/C26H29FN4O4/c27-23-3-1-18(9-19(23)10-26(32)29-8-5-17-12-30-31-13-17)22-6-7-28-14-20(22)15-33-21-2-4-24-25(11-21)35-16-34-24/h1-4,9,11-13,20,22,28H,5-8,10,14-16H2,(H,29,32)(H,30,31)/t20-,22-/m0/s1","","2017-01-24","2017-03-28","2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide","2017-04-02"],["9IR","(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene","C10 H16","CC1=CCC(CC1)C(C)=C;CC(=C)[CH]1CCC(=CC1)C;CC1=CCC(CC1)C(=C)C","InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1","R-(+)-limonene","2021-10-18","2022-11-18","(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene","2022-11-23"],["9IS","~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C19 H16 N4 O2","COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1;COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3","InChI=1S/C19H16N4O2/c1-24-14-6-8-16(9-7-14)25-15-4-2-13(3-5-15)23-19-17-10-11-20-18(17)21-12-22-19/h2-12H,1H3,(H2,20,21,22,23)","","2021-11-12","2022-08-22","~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2022-03-09"],["SIY","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol","C32 H52 O9","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)C(C)C;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)O)O)C(C)C)O)C)COC","InChI=1S/C32H52O9/c1-9-31(5,6)39-15-22-26(35)27(36)28(37)30(40-22)41-29-24-20(16(2)3)12-23(33)32(24,7)13-21-18(14-38-8)10-11-19(21)17(4)25(29)34/h9,13,16-19,22-23,25-30,33-37H,1,10-12,14-15H2,2-8H3/b21-13-/t17-,18-,19+,22-,23+,25-,26-,27+,28-,29-,30-,32+/m1/s1","","2022-12-15","2024-06-21","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol","2024-06-26"],["SIZ","2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose","C8 H13 F2 N O6","OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)NC(=O)C(F)F)O)O)O","InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1","N-DIFLUOROACETYL-D-GALACTOSAMINE; N-difluoroacetyl-beta-D-galactosamine;\n2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactose; 2-deoxy-2-[(difluoroacetyl)amino]-D-galactose;\n2-deoxy-2-[(difluoroacetyl)amino]-galactose","2015-12-14","2020-07-17","2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide","2016-03-30"],["9IT","2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","C29 H26 N2 O7","COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cccc(C)c4)cc12;Cc1cccc(c1)C(=O)c2cc(c(c(c2)C)Oc3ccc4c(c3)c(nc(c4O)C(=O)NCC(=O)O)OC)C","InChI=1S/C29H26N2O7/c1-15-6-5-7-18(10-15)25(34)19-11-16(2)27(17(3)12-19)38-20-8-9-21-22(13-20)29(37-4)31-24(26(21)35)28(36)30-14-23(32)33/h5-13,35H,14H2,1-4H3,(H,30,36)(H,32,33)","","2022-01-18","2022-05-13","2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SJ0","N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide","C23 H24 N6 O2","CN1CCC(C1)COc1cnc(C#N)cc1c1ccn2nc(cc2c1)NC(=O)C1CC1;CN1CC[CH](COc2cnc(cc2c3ccn4nc(NC(=O)C5CC5)cc4c3)C#N)C1;CN1CCC(C1)COc2cnc(cc2c3ccn4c(c3)cc(n4)NC(=O)C5CC5)C#N","InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1","","2023-08-25","2024-01-05","N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide","2024-01-10"],["9IU","(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene","C10 H16","CC1=CCC(CC1)C(C)=C;CC(=C)[CH]1CCC(=CC1)C;CC1=CCC(CC1)C(=C)C","InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1","S-(-)-limonene","2021-10-18","2022-11-18","(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene","2022-11-23"],["SJ1","N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE","C17 H32 N6 O6","O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO;CC(C)COC(=O)N[CH](CO)C(=O)N[CH](C)C(=O)N[CH](CCCNC(N)=N)C=O;[H]N=C(N)NCCCC(C=O)NC(=O)C(C)NC(=O)C(CO)NC(=O)OCC(C)C","InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1","","2004-06-15","2024-09-27","N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide",""],["9IV","~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C18 H13 Cl N4 O","Clc1ccccc1Oc2ccc(Nc3ncnc4[nH]ccc34)cc2;c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl","InChI=1S/C18H13ClN4O/c19-15-3-1-2-4-16(15)24-13-7-5-12(6-8-13)23-18-14-9-10-20-17(14)21-11-22-18/h1-11H,(H2,20,21,22,23)","","2021-11-12","2022-08-22","~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2022-03-09"],["9IW","2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","C30 H27 F N2 O8","CCOc1nc(c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(F)cc(OC)c4)cc12)C(=O)NCC(O)=O;CCOc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3c(cc(cc3C)C(=O)c4cc(cc(c4)F)OC)C","InChI=1S/C30H27FN2O8/c1-5-40-30-23-13-20(6-7-22(23)27(37)25(33-30)29(38)32-14-24(34)35)41-28-15(2)8-17(9-16(28)3)26(36)18-10-19(31)12-21(11-18)39-4/h6-13,37H,5,14H2,1-4H3,(H,32,38)(H,34,35)","","2022-01-18","2022-05-13","2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid","2022-05-18"],["SJ2","~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide","C9 H20 N4 O2","CN([CH](CO)CCCNC(N)=N)C(C)=O;CC(=O)N(C)C(CCCNC(=N)N)CO","InChI=1S/C9H20N4O2/c1-7(15)13(2)8(6-14)4-3-5-12-9(10)11/h8,14H,3-6H2,1-2H3,(H4,10,11,12)/t8-/m0/s1","","2020-11-16","2024-09-27","~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide","2021-12-01"],["9IX","2-methyl-5-(propan-2-yl)benzene-1,4-diol","C10 H14 O2","CC(C)c1cc(O)c(C)cc1O;CC(C)c1cc(O)c(C)cc1O;Cc1cc(c(cc1O)C(C)C)O","InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3","Thymoquinone","2021-10-18","2024-09-27","2-methyl-5-(propan-2-yl)benzene-1,4-diol","2022-11-23"],["SJ3","(4R)-4-hydroxypentanoic acid","C5 H10 O3","O=C(O)CCC(C)O;C[CH](O)CCC(O)=O;CC(CCC(=O)O)O","InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1","","2022-07-05","2023-01-06","(4R)-4-hydroxypentanoic acid","2023-01-11"],["9IY","[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate","C25 H27 N2 O10 P S","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccc(CNC(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4)cc2;c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C25H27N2O10PS/c28-22-21(15-36-38(31,32)33)37-24(23(22)29)17-8-6-16(7-9-17)14-26-25(30)27-18-10-12-20(13-11-18)39(34,35)19-4-2-1-3-5-19/h1-13,21-24,28-29H,14-15H2,(H2,26,27,30)(H2,31,32,33)/t21-,22-,23-,24+/m1/s1","","2021-11-15","2022-08-22","[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate","2021-11-24"],["SJ4","Fusicoccin J-acetonide","C30 H50 O9","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C[CH](O)[C]5(C)C[CH]12)C(C)C;CC1C2CCC(C2CC3(C(CC(=C3C(C1O)OC4C(C(C5C(O4)COC(O5)(C)C)O)O)C(C)C)O)C)COC","InChI=1S/C30H50O9/c1-14(2)18-10-21(31)30(6)11-19-16(12-35-7)8-9-17(19)15(3)23(32)27(22(18)30)38-28-25(34)24(33)26-20(37-28)13-36-29(4,5)39-26/h14-17,19-21,23-28,31-34H,8-13H2,1-7H3/t15-,16-,17+,19-,20-,21+,23-,24-,25-,26-,27-,28-,30+/m1/s1","(4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol","2022-12-15","2023-12-22","(4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol","2023-12-27"],["9IZ","1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine","C23 H21 N5","C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4;c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4","InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2","","2022-01-18","2023-01-13","1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine","2023-01-18"],["SJ5","(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid","C6 H11 N O4","C1NCC(C(O)=O)C(C1O)O;O[CH]1CNC[CH]([CH]1O)C(O)=O;C1C(C(C(CN1)O)O)C(=O)O","InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1","","2017-12-27","2018-12-07","(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid","2018-12-12"],["9J0","3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide","C24 H24 N8 O","O=C(N)c1cc(C)c(cc1)n2nc(C(C)C)c3c2nccc3n4cnc(c4)c5cnn(c5)C;CC(C)c1nn(c2ccc(cc2C)C(N)=O)c3nccc(n4cnc(c4)c5cnn(C)c5)c13;Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N","InChI=1S/C24H24N8O/c1-14(2)22-21-20(31-12-18(27-13-31)17-10-28-30(4)11-17)7-8-26-24(21)32(29-22)19-6-5-16(23(25)33)9-15(19)3/h5-14H,1-4H3,(H2,25,33)","","2018-05-02","2018-12-28","3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide","2019-01-02"],["SJ6","N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide","C21 H17 N3 O2","Cc1ccc2nc(oc2c1)c3ccc(CNC(=O)c4cccnc4)cc3;Cc1ccc2c(c1)oc(n2)c3ccc(cc3)CNC(=O)c4cccnc4","InChI=1S/C21H17N3O2/c1-14-4-9-18-19(11-14)26-21(24-18)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25)","","2023-04-12","2023-10-06","~{N}-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide","2023-10-11"],["SJ8","(~{E})-3-(4-fluorophenyl)prop-2-enoic acid","C9 H7 F O2","OC(=O)C=Cc1ccc(F)cc1;c1cc(ccc1C=CC(=O)O)F","InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+","","2020-11-16","2024-09-27","(~{E})-3-(4-fluorophenyl)prop-2-enoic acid","2021-12-01"],["9J1","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide","C28 H26 N4 O5","N1(C=CC(NC1=O)=O)CCOc2c(cccc2)Oc3cc(N(C(=O)CC)C)c4c(c3C)cc(cc4)C#N;CCC(=O)N(C)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O","InChI=1S/C28H26N4O5/c1-4-27(34)31(3)22-16-25(18(2)21-15-19(17-29)9-10-20(21)22)37-24-8-6-5-7-23(24)36-14-13-32-12-11-26(33)30-28(32)35/h5-12,15-16H,4,13-14H2,1-3H3,(H,30,33,35)","","2017-05-12","2024-09-27","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide","2017-08-23"],["9J2","methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate","C22 H21 Cl N4 O3","COC(=O)[CH](C)[CH]1N=C(c2ccc(Cl)cc2)c3ccc(OC)cc3n4c(C)nnc14;Cc1nnc2n1-c3cc(ccc3C(=NC2C(C)C(=O)OC)c4ccc(cc4)Cl)OC","InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-11-16(29-3)9-10-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1","","2017-05-24","2018-02-09","methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate","2018-02-14"],["SJ9","5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid","C24 H18 Cl F N2 O3","O=C(O)c1cc2cc(ccc2n1Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1;OC(=O)c1cc2cc(ccc2n1Cc3ccc(Cl)c(F)c3)C(=O)NCc4ccccc4;c1ccc(cc1)CNC(=O)c2ccc3c(c2)cc(n3Cc4ccc(c(c4)F)Cl)C(=O)O","InChI=1S/C24H18ClFN2O3/c25-19-8-6-16(10-20(19)26)14-28-21-9-7-17(11-18(21)12-22(28)24(30)31)23(29)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,30,31)","","2022-07-05","2023-06-30","5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid","2023-07-05"],["9J3","4-ethoxy-4-oxobutanoic acid","C6 H10 O4","OC(=O)CCC(=O)OCC;CCOC(=O)CCC(O)=O;CCOC(=O)CCC(=O)O","InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)","","2018-05-02","2024-09-27","4-ethoxy-4-oxobutanoic acid","2018-09-12"],["SJA","Amorphadiene","C15 H24","C[CH]1CC[CH]([CH]2C=C(C)CC[CH]12)C(C)=C;CC1CCC(C2C1CCC(=C2)C)C(=C)C","InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1","(1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene","2020-03-09","2021-05-21","(1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene","2021-05-26"],["SJC","Fusicoccin 31","C37 H61 N O9","COC[CH]1CC[C]2(C)C[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CN5CCCCC5;CC(CN1CCCCC1)C2=C3C(C(CC4(CCC(C4=CC3(C(C2)O)C)COC)C)O)OC5C(C(C(C(O5)COC(C)(C)C=C)O)O)O","InChI=1S/C37H61NO9/c1-8-35(3,4)45-21-27-30(41)31(42)32(43)34(46-27)47-33-26(39)18-36(5)13-12-23(20-44-7)25(36)17-37(6)28(40)16-24(29(33)37)22(2)19-38-14-10-9-11-15-38/h8,17,22-23,26-28,30-34,39-43H,1,9-16,18-21H2,2-7H3/b25-17-/t22-,23-,26-,27-,28+,30-,31+,32-,33+,34-,36+,37+/m1/s1","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{Z},3~{R},4~{S},8~{R},9~{R},11~{S},14~{S})-14-(methoxymethyl)-3,11-dimethyl-4,9-bis(oxidanyl)-6-[(2~{S})-1-piperidin-1-ylpropan-2-yl]-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol","2022-12-15","2024-06-21","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{Z},3~{R},4~{S},8~{R},9~{R},11~{S},14~{S})-14-(methoxymethyl)-3,11-dimethyl-4,9-bis(oxidanyl)-6-[(2~{S})-1-piperidin-1-ylpropan-2-yl]-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol","2024-06-26"],["9J4","4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide","C22 H27 N5 O","C1CC(C(C1(N)C)(C)C)Nc2c3n(ncc2C(N)=O)cc(c3)c4ccccc4;C[C]1(N)CC[CH](Nc2c3cc(cn3ncc2C(N)=O)c4ccccc4)C1(C)C;CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C","InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1","","2017-05-12","2017-05-26","4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide","2017-05-31"],["SJD","3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide","C20 H15 F3 N2 O4 S","COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1;COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F","InChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26)","","2020-03-09","2021-03-05","3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide","2021-03-10"],["9J5","methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate","C23 H23 Cl N4 O3","CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3ccc(OC)cc3n4c(C)nnc14)C(=O)OC;CCC(C1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC","InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-12-16(30-3)10-11-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1","","2017-05-24","2018-02-09","methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate","2018-02-14"],["SJE","(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate","C58 H96 N4 O24 S","CON[CH]1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NCCN[S](=O)(=O)c3ccccc3[N](=O)=O)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O;CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)C(C(C2C)OC3CC(C(C(O3)C)O)(C)O)C)C(C)COC4C(C(C(C(O4)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NCCNS(=O)(=O)c5ccccc5N(=O)=O)C)O)NOC","InChI=1S/C58H96N4O24S/c1-28(2)23-41(63)82-47-33(7)46(30(4)27-78-55-50(76-15)49(75-14)43(64)36(10)81-55)84-53(68)35(9)48(83-42-26-57(12,70)52(67)37(11)80-42)32(6)45(85-54-44(65)38(61-77-16)24-31(5)79-54)29(3)25-58(13,51(66)34(47)8)86-56(69)59-21-22-60-87(73,74)40-20-18-17-19-39(40)62(71)72/h17-20,28-38,42-50,52,54-55,60-61,64-65,67,70H,21-27H2,1-16H3,(H,59,69)/t29-,30-,31+,32+,33-,34+,35+,36+,37-,38+,42-,43+,44+,45-,46+,47+,48-,49+,50+,52-,54-,55+,57+,58-/m0/s1","[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{R},6~{R})-4-(methoxyamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-[(2-nitrophenyl)sulfonylamino]ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate","2020-11-17","2022-05-27","[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{R},6~{R})-4-(methoxyamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-[(2-nitrophenyl)sulfonylamino]ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate","2022-06-01"],["9J6","6-ethoxy-6-oxohexanoic acid","C8 H14 O4","O=C(O)CCCCC(=O)OCC;CCOC(=O)CCCCC(O)=O;CCOC(=O)CCCCC(=O)O","InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)","Adipic acid monoethyl ester","2018-05-02","2021-03-01","6-ethoxy-6-oxohexanoic acid","2018-09-12"],["SJF","(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide","C23 H29 Cl2 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)c(Cl)c1;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)COc4ccc(Cl)c(Cl)c4;c1cc(c(cc1OCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)CO)Cl)Cl","InChI=1S/C23H29Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-15,17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17-,21-/m0/s1","","2023-08-28","2024-09-27","(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide","2024-08-28"],["9J7","1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","C20 H22 F2 N2 O3 S","c1(c(c(F)c(C)cc1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)c(F)c3F)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C","InChI=1S/C20H22F2N2O3S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)25)23-28(26,27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23H,3,6,9-10,12H2,1-2H3","AMF2alpha","2017-05-15","2021-03-01","1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2017-11-15"],["9J8","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide","C25 H26 Cl N5 O2","CCNC(=O)[CH](CC=C)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14;CCNC(=O)C(CC=C)C1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C","InChI=1S/C25H26ClN5O2/c1-5-7-19(25(32)27-6-2)23-24-30-29-15(3)31(24)21-13-12-18(33-4)14-20(21)22(28-23)16-8-10-17(26)11-9-16/h5,8-14,19,23H,1,6-7H2,2-4H3,(H,27,32)/t19-,23+/m1/s1","","2017-05-24","2018-02-09","(2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide","2018-02-14"],["SJG","ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate","C28 H30 N6 O3","CCOC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12;CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)C","InChI=1S/C28H30N6O3/c1-3-36-28(35)34-23-10-4-8-21-20(23)12-11-18(2)25(21)37-26-22(9-6-15-30-26)24-13-16-31-27(33-24)32-19-7-5-14-29-17-19/h4,6,8-13,15-16,19,29H,3,5,7,14,17H2,1-2H3,(H,34,35)(H,31,32,33)/t19-/m0/s1","","2020-03-10","2020-12-04","ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate","2020-12-09"],["9J9","(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one","C10 H14 O2","O=C1C=C(C(C)C)C(O)=CC1C;CC(C)C1=CC(=O)[CH](C)C=C1O;CC1C=C(C(=CC1=O)C(C)C)O","InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3","","2021-10-18","2022-11-18","(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one","2022-11-23"],["SJH","(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate","C56 H93 N5 O22","CON=C1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NCCn3c(C)ncc3[N+]([O-])=O)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O;Cc1ncc(n1CCNC(=O)OC2(CC(C(C(C(C(C(=O)OC(C(C(C(C2=O)C)OC(=O)CC(C)C)C)C(C)COC3C(C(C(C(O3)C)O)OC)OC)C)OC4CC(C(C(O4)C)O)(C)O)C)OC5C(C(=NOC)CC(O5)C)O)C)C)[N+](=O)[O-]","InChI=1S/C56H93N5O22/c1-26(2)20-39(62)79-45-31(7)44(28(4)25-75-53-48(73-16)47(72-15)41(63)34(10)78-53)81-51(67)33(9)46(80-40-23-55(13,69)50(66)35(11)77-40)30(6)43(82-52-42(64)37(59-74-17)21-29(5)76-52)27(3)22-56(14,49(65)32(45)8)83-54(68)57-18-19-60-36(12)58-24-38(60)61(70)71/h24,26-35,40-48,50,52-53,63-64,66,69H,18-23,25H2,1-17H3,(H,57,68)/b59-37+/t27-,28-,29+,30+,31-,32+,33+,34+,35-,40-,41+,42+,43-,44+,45+,46-,47+,48+,50-,52-,53+,55+,56-/m0/s1","[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate","2020-11-17","2022-06-03","[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate","2022-06-08"],["9JA","(~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine","C17 H18 B F3 N3 O6 S","CC[S](=O)(=O)N1NCc2ccc(Oc3ccc(cc3C=NO)C(F)(F)F)cc2[B]1(O)O;B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3C=NO)C(F)(F)F)(O)O","InChI=1S/C17H18BF3N3O6S/c1-2-31(28,29)24-18(25,26)15-8-14(5-3-11(15)9-22-24)30-16-6-4-13(17(19,20)21)7-12(16)10-23-27/h3-8,10,22,25-27H,2,9H2,1H3/b23-10+","","2017-05-15","2018-05-11","(~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine","2018-05-16"],["SJI","N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide","C24 H36 N4 O2","CCNC(=O)c1cc2nc(C)n(C3CCN(CC4(O)CCCCC4)CC3C)c2cc1;CCNC(=O)c1ccc2n([CH]3CCN(C[CH]3C)CC4(O)CCCCC4)c(C)nc2c1;CCNC(=O)c1ccc2c(c1)nc(n2C3CCN(CC3C)CC4(CCCCC4)O)C","InChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-22-20(14-19)26-18(3)28(22)21-10-13-27(15-17(21)2)16-24(30)11-6-5-7-12-24/h8-9,14,17,21,30H,4-7,10-13,15-16H2,1-3H3,(H,25,29)/t17-,21-/m0/s1","","2022-07-06","2023-01-06","N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide","2023-01-11"],["SJJ","5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE","C17 H15 N3 O3","O=C(c2ncoc2c1ccc(OC)cc1)NCc3ccncc3;COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3;COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3","InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)","","2012-01-19","2014-05-01","5-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide",""],["9JB","3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol","C14 H30 O7","C[CH](O)COC[C](CO)(COC[CH](C)O)COC[CH](C)O;CC(COCC(CO)(COCC(C)O)COCC(C)O)O","InChI=1S/C14H30O7/c1-11(16)4-19-8-14(7-15,9-20-5-12(2)17)10-21-6-13(3)18/h11-13,15-18H,4-10H2,1-3H3/t11-,12-,13+/m1/s1","","2017-05-24","2018-02-09","3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol","2018-02-14"],["SJK","5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide","C9 H11 N3 O2 S2","SCCNC(=O)C1=CN=C2SCCN2C1=O;C1CSC2=NC=C(C(=O)N21)C(=O)NCCS","InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13)","","2020-11-17","2024-09-27","5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide","2020-12-09"],["9JC","4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde","C11 H11 N3 O2","NCc1cc(nc2c(N)cccc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)CN","InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16)","","2021-11-15","2024-09-27","4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid","2023-09-27"],["SJL","8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C24 H24 F2 N6 O","CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(F)c(cc3F)c4cccc(C)n4;Cc1cccc(n1)c2cc(c(cc2F)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC)F","InChI=1S/C24H24F2N6O/c1-14-6-5-7-21(30-14)18-12-19(25)16(11-20(18)26)17-10-15-13-29-24(28-2)31-22(15)32(23(17)33)9-4-3-8-27/h5-7,10-13H,3-4,8-9,27H2,1-2H3,(H,28,29,31)","","2022-12-15","2023-05-15","8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2023-01-18"],["9JD","methyl [(4S)-4-{(3R)-1-[(3S)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate","C29 H40 F N3 O5","c2(cccc(C(O)(CCCNC(=O)OC)C1CCCN(C1)C(=O)CC(O)CN)c2c3cccc(CC)c3)F;CCc1cccc(c1)c2c(F)cccc2[C](O)(CCCNC(=O)OC)[CH]3CCCN(C3)C(=O)C[CH](O)CN;CCc1cccc(c1)c2c(cccc2F)C(CCCNC(=O)OC)(C3CCCN(C3)C(=O)CC(CN)O)O","InChI=1S/C29H40FN3O5/c1-3-20-8-4-9-21(16-20)27-24(11-5-12-25(27)30)29(37,13-7-14-32-28(36)38-2)22-10-6-15-33(19-22)26(35)17-23(34)18-31/h4-5,8-9,11-12,16,22-23,34,37H,3,6-7,10,13-15,17-19,31H2,1-2H3,(H,32,36)/t22-,23+,29+/m1/s1","","2017-05-15","2017-10-13","methyl [(4S)-4-{(3R)-1-[(3S)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate","2017-10-18"],["SJM","~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide","C29 H28 N6 O2","CC#CC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12;CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)C","InChI=1S/C29H28N6O2/c1-3-7-26(36)34-24-11-4-9-22-21(24)13-12-19(2)27(22)37-28-23(10-6-16-31-28)25-14-17-32-29(35-25)33-20-8-5-15-30-18-20/h4,6,9-14,16-17,20,30H,5,8,15,18H2,1-2H3,(H,34,36)(H,32,33,35)/t20-/m0/s1","","2020-03-10","2020-12-04","~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide","2020-12-09"],["9JE","pentane-1,5-diol","C5 H12 O2","OCCCCCO;C(CCO)CCO","InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2","","2017-05-25","2017-09-08","pentane-1,5-diol","2017-09-13"],["SJN","4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid","C10 H8 N2 O3","Cc1ccc2C(=O)C(=CNc2n1)C(O)=O;Cc1ccc2c(n1)NC=C(C2=O)C(=O)O","InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)","7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid; 3-Carboxy-4-hydroxy-7-methyl-1,8-naphthyridine","2020-11-18","2021-05-14","7-methyl-4-oxidanylidene-1~{H}-1,8-naphthyridine-3-carboxylic acid","2021-05-19"],["9JF","N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide","C20 H13 N O7 S","N(S(=O)(=O)c1c(O)cccc1)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O;Oc1ccccc1[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O","InChI=1S/C20H13NO7S/c22-14-7-3-4-8-15(14)29(27,28)21-13-9-12-16(20(26)19(13)25)18(24)11-6-2-1-5-10(11)17(12)23/h1-9,21-22,25-26H","","2018-05-10","2019-05-17","N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide","2019-05-22"],["9JG","prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate","C22 H21 N5 O3","CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)c3ccncc3;CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3","InChI=1S/C22H21N5O3/c1-3-11-30-22(29)26-13-16-5-6-17(15-7-9-23-10-8-15)18-12-20(25-14-19(16)18)27-21(28)24-4-2/h1,5-10,12,14H,4,11,13H2,2H3,(H,26,29)(H2,24,25,27,28)","","2016-12-12","2017-04-21","prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate","2017-04-26"],["SJO","[(2R,3R,4R,5R)-5-(2-azanyl-8-methyl-6-oxidanylidene-1H-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C12 H18 N5 O8 P","CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2c(C)nc3C(=O)NC(=Nc23)N;Cc1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)OC)N=C(NC2=O)N","InChI=1S/C12H18N5O8P/c1-4-14-6-9(15-12(13)16-10(6)19)17(4)11-8(23-2)7(18)5(25-11)3-24-26(20,21)22/h5,7-8,11,18H,3H2,1-2H3,(H2,20,21,22)(H3,13,15,16,19)/t5-,7-,8-,11-/m1/s1","","2023-04-12","2023-04-21","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-8-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2023-04-26"],["SJP","(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide","C27 H52 F N7 O11","FC(CN)C(O)C(=O)NC4C(O)C(OC2OC(C(OC1OC(CN)CCC1N)C2O)CO)C(OC3OC(CN)CCC3N)C(N)C4;NC[CH](F)[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)CC[CH]2N)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)CC[CH]4N)[CH]3O)[CH]1O;C1CC(C(OC1CN)OC2C(CC(C(C2OC3C(C(C(O3)CO)OC4C(CCC(O4)CN)N)O)O)NC(=O)C(C(CN)F)O)N)N","InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+,25+,26+,27-/m0/s1","","2014-03-05","2020-06-01","(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide","2014-11-05"],["9JH","4-BENZYLBENZAMIDE","C14 H13 N O","NC(=O)c1ccc(Cc2ccccc2)cc1;c1ccc(cc1)Cc2ccc(cc2)C(=O)N","InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)","","2016-04-29","2016-09-09","4-(phenylmethyl)benzamide","2016-09-14"],["SJQ","4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one","C15 H19 Cl F2 N4 O2","FC1(F)CCC(CC1)CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3;C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F","InChI=1S/C15H19ClF2N4O2/c16-13-11(7-19-20-14(13)24)21-5-6-22(12(23)9-21)8-10-1-3-15(17,18)4-2-10/h7,10H,1-6,8-9H2,(H,20,24)","","2020-11-18","2020-12-04","4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one","2020-12-09"],["9JI","Avapritinib","C26 H27 F N10","Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(N)c6ccc(F)cc6)c3c2;CC(c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N","InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1","(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine","2023-07-14","2024-07-29","(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine","2023-12-27"],["SJR","4-methoxy-N-(pyridin-2-yl)benzamide","C13 H12 N2 O2","O=C(Nc1ncccc1)c2ccc(OC)cc2;COc1ccc(cc1)C(=O)Nc2ccccn2;COc1ccc(cc1)C(=O)Nc2ccccn2","InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)","","2015-01-20","2015-08-21","4-methoxy-N-(pyridin-2-yl)benzamide","2015-08-26"],["9JJ","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C35 H37 B F3 N7 O17 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O[B]6(O)OCc7ccc(Oc8ccc(cc8)C(F)(F)F)cc67;B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)OC4C(C(OC4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O","InChI=1S/C35H36BF3N7O17P2/c37-35(38,39)19-4-7-20(8-5-19)59-21-6-3-18-12-56-36(51,22(18)10-21)62-29-27(48)24(61-34(29)45-9-1-2-17(11-45)31(41)50)14-58-65(54,55)63-64(52,53)57-13-23-26(47)28(49)33(60-23)46-16-44-25-30(40)42-15-43-32(25)46/h1-11,15-16,23-24,26-29,33-34,47-49,51H,12-14H2,(H5-,40,41,42,43,50,52,53,54,55)/p+1/t23-,24-,26-,27-,28-,29-,33-,34-/m1/s1","","2017-05-15","2018-05-11","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2018-05-16"],["SJS","4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one","C21 H18 F2 N6 O2","OC1CCN(CC1)C2=NC(=CC(=O)N2)c3[nH]nc4ncc(cc34)c5c(F)cccc5F;c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F","InChI=1S/C21H18F2N6O2/c22-14-2-1-3-15(23)18(14)11-8-13-19(27-28-20(13)24-10-11)16-9-17(31)26-21(25-16)29-6-4-12(30)5-7-29/h1-3,8-10,12,30H,4-7H2,(H,24,27,28)(H,25,26,31)","","2020-03-10","2020-12-04","4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one","2020-12-09"],["9JK","~{N}-phenyl-2-sulfanyl-benzamide","C13 H11 N O S","Sc1ccccc1C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2ccccc2S","InChI=1S/C13H11NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)","","2017-05-25","2024-09-27","~{N}-phenyl-2-sulfanyl-benzamide","2018-06-13"],["SJT","spliceostatin A (form II)","C28 H45 N O8","CO[C]1(C)C[C](C)(O)[CH](O)[CH](O1)C=CC(C)=CC[CH]2O[CH](C)[CH](C[CH]2C)NC(=O)C=C[CH](C)OC(C)=O;CC1CC(C(OC1CC=C(C)C=CC2C(C(CC(O2)(C)OC)(C)O)O)C)NC(=O)C=CC(C)OC(=O)C","InChI=1S/C28H45NO8/c1-17(10-13-24-26(32)27(6,33)16-28(7,34-8)37-24)9-12-23-18(2)15-22(20(4)36-23)29-25(31)14-11-19(3)35-21(5)30/h9-11,13-14,18-20,22-24,26,32-33H,12,15-16H2,1-8H3,(H,29,31)/b13-10+,14-11-,17-9+/t18-,19-,20+,22+,23-,24+,26+,27-,28-/m0/s1","[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate","2020-11-20","2024-09-27","[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate","2021-08-04"],["9JL","(4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile","C26 H25 F N6 O","CN(C)Cc1ccc(c(C)c1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12;CN(C)Cc1ccc(c(C)c1)c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N;Cc1cc(ccc1c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F)CN(C)C","InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30)","MRTX-2219","2021-10-20","2022-11-04","(4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile","2022-11-09"],["9JM","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C36 H38 B N9 O18 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O[B]6(O)OCc7cc(Oc8ccc(cc8C=NO)C#N)ccc67;B1(c2ccc(cc2CO1)Oc3ccc(cc3C=NO)C#N)(O)OC4C(C(OC4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O","InChI=1S/C36H37BN9O18P2/c38-10-18-3-6-24(20(8-18)11-44-52)60-22-4-5-23-21(9-22)13-57-37(23,51)63-31-29(48)26(62-36(31)45-7-1-2-19(12-45)33(40)50)15-59-66(55,56)64-65(53,54)58-14-25-28(47)30(49)35(61-25)46-17-43-27-32(39)41-16-42-34(27)46/h1-9,11-12,16-17,25-26,28-31,35-36,47-49,51H,13-15H2,(H6-,39,40,41,42,50,52,53,54,55,56)/p+1/b44-11+/t25-,26-,28-,29-,30-,31-,35-,36-/m1/s1","","2017-05-15","2018-05-11","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2018-05-16"],["SJU","(furan-2-yl)acetic acid","C6 H6 O3","O=C(O)Cc1ccco1;OC(=O)Cc1occc1;c1cc(oc1)CC(=O)O","InChI=1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)","","2022-07-06","2022-12-09","(furan-2-yl)acetic acid","2022-12-14"],["SJV","methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate","C27 H28 N6 O3","COC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12;Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)cccc2NC(=O)OC","InChI=1S/C27H28N6O3/c1-17-10-11-19-20(7-3-9-22(19)33-27(34)35-2)24(17)36-25-21(8-5-14-29-25)23-12-15-30-26(32-23)31-18-6-4-13-28-16-18/h3,5,7-12,14-15,18,28H,4,6,13,16H2,1-2H3,(H,33,34)(H,30,31,32)/t18-/m0/s1","","2020-03-10","2020-12-04","methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate","2020-12-09"],["9JN","~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide","C20 H18 N4 O S","NC[CH](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4;c1ccc(cc1)C(CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4","InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)/t17-/m1/s1","","2017-05-25","2017-07-07","~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide","2017-07-12"],["9JO","N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide","C33 H41 Cl N8 O2","c12nc(ncc1CN(C(N2C3CCC(CC3)NC(CC)=O)=O)c4ccccc4Cl)Nc5ccc(c(C)c5)N6CCN(C)CC6;CCC(=O)N[CH]1CC[CH](CC1)N2C(=O)N(Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc23)c6ccccc6Cl;CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl","InChI=1S/C33H41ClN8O2/c1-4-30(43)36-24-9-12-26(13-10-24)42-31-23(21-41(33(42)44)29-8-6-5-7-27(29)34)20-35-32(38-31)37-25-11-14-28(22(2)19-25)40-17-15-39(3)16-18-40/h5-8,11,14,19-20,24,26H,4,9-10,12-13,15-18,21H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,26-","","2018-05-11","2019-06-07","N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide","2019-06-12"],["SJW","3-pyridin-3-ylpropanal","C8 H9 N O2","OC(=O)CCc1cccnc1;c1cc(cnc1)CCC(=O)O","InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)","","2020-11-20","2024-09-27","3-pyridin-3-ylpropanoic acid","2021-12-01"],["SJX","8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C24 H25 Cl N6 O","CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccc(cc3Cl)c4cccc(C)n4;Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC","InChI=1S/C24H25ClN6O/c1-15-6-5-7-21(29-15)16-8-9-18(20(25)13-16)19-12-17-14-28-24(27-2)30-22(17)31(23(19)32)11-4-3-10-26/h5-9,12-14H,3-4,10-11,26H2,1-2H3,(H,27,28,30)","","2022-12-15","2023-05-15","8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2023-01-18"],["9JP","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide","C27 H23 F N4 O5","c1c(c(ccc1)OCCN2C=CC(=O)NC2=O)Oc3cc(c4c(c3C)cc(cc4)C#N)N(C(=O)CF)C;CN(C(=O)CF)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N","InChI=1S/C27H23FN4O5/c1-17-20-13-18(16-29)7-8-19(20)21(31(2)26(34)15-28)14-24(17)37-23-6-4-3-5-22(23)36-12-11-32-10-9-25(33)30-27(32)35/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,33,35)","","2017-05-16","2017-08-18","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide","2017-08-23"],["9JQ","2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol","C18 H14 F2 N2 O2","CN(c1ccc(F)c(O)c1)c2cccc(n2)c3cccc(O)c3F;CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O","InChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3","","2017-05-26","2018-06-01","2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol","2018-06-06"],["SJY","2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid","C17 H12 O3 S","Cc1ccc2oc(C#Cc3sccc3)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O","InChI=1S/C17H12O3S/c1-11-4-6-15-13(9-11)14(10-17(18)19)16(20-15)7-5-12-3-2-8-21-12/h2-4,6,8-9H,10H2,1H3,(H,18,19)","","2020-03-10","2021-03-05","2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid","2021-03-10"],["SJZ","(~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid","C22 H18 O3","Cc1c(cccc1c2cc(C=CC(O)=O)ccc2O)c3ccccc3;Cc1c(cccc1c2cc(ccc2O)C=CC(=O)O)c3ccccc3","InChI=1S/C22H18O3/c1-15-18(17-6-3-2-4-7-17)8-5-9-19(15)20-14-16(10-12-21(20)23)11-13-22(24)25/h2-14,23H,1H3,(H,24,25)/b13-11+","","2016-12-12","2017-11-03","(~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid","2017-11-08"],["9JR","4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one","C22 H30 N6 O2","CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1;CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N","InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)","","2018-05-15","2019-01-25","4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one","2019-01-30"],["9JS","4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide","C17 H15 N5 O3 S","c1c(O)c(ccc1NC=3C(C(Nc2ccc(C(=O)N)cc2)=NSN=3)=O)C;Cc1ccc(NC2=NSN=C(Nc3ccc(cc3)C(N)=O)C2=O)cc1O;Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N","InChI=1S/C17H15N5O3S/c1-9-2-5-12(8-13(9)23)20-17-14(24)16(21-26-22-17)19-11-6-3-10(4-7-11)15(18)25/h2-8,23H,1H3,(H2,18,25)(H,19,21)(H,20,22)","","2017-05-16","2017-05-19","4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide","2017-05-24"],["SK0","(1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol","C16 H16 Cl N O2","c31c(CCNCC1c2ccccc2)c(Cl)c(c(c3)O)O;Oc1cc2[CH](CNCCc2c(Cl)c1O)c3ccccc3;c1ccc(cc1)C2CNCCc3c2cc(c(c3Cl)O)O","InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2/t13-/m1/s1","","2020-08-24","2021-02-19","(1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol","2021-02-24"],["9JT","N-phenyl-2-selanylbenzamide","C13 H11 N O Se","O=C(Nc1ccccc1)c1ccccc1[SeH];[SeH]c1ccccc1C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2ccccc2[SeH]","InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)","~{N}-phenyl-2-selanyl-benzamide; Ebselen, bound form","2017-05-26","2024-09-27","N-phenyl-2-selanylbenzamide","2018-06-13"],["SK1","N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE","C21 H27 N5 O5 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)C)CO)Cc2ccccc2;C[CH](NC(=O)[CH](CO)N[S](=O)(=O)Cc1ccccc1)C(=O)NCc2ccc(cc2)C(N)=N;[H]N=C(c1ccc(cc1)CNC(=O)C(C)NC(=O)C(CO)NS(=O)(=O)Cc2ccccc2)N","InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1","","2004-06-15","2011-06-04","N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-alaninamide",""],["9JU","N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide","C26 H35 N3 O2","Cc1c(nn(CCCCCO)c1c2ccccc2)C(=O)NC34CC5CC(CC(C5)C3)C4;Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5","InChI=1S/C26H35N3O2/c1-18-23(25(31)27-26-15-19-12-20(16-26)14-21(13-19)17-26)28-29(10-6-3-7-11-30)24(18)22-8-4-2-5-9-22/h2,4-5,8-9,19-21,30H,3,6-7,10-17H2,1H3,(H,27,31)/t19-,20+,21-,26-","","2018-05-16","2019-01-25","~{N}-(1-adamantyl)-4-methyl-1-(5-oxidanylpentyl)-5-phenyl-pyrazole-3-carboxamide","2019-01-30"],["SK2","(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER","C19 H21 N3 O6 S","O=S(=O)(O)Nc1ccc3c(c1)CN(C(=O)OCc2ccccc2)C(C(=O)NC)C3;CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)OCc3ccccc3;CNC(=O)C1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O","InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1","","2005-12-05","2011-06-04","[(3S)-2-[(benzyloxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid",""],["SK3","(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL","C12 H17 N O4","OC2C(NCc1ccccc1)C(O)C(O)C2O;O[CH]1[CH](O)[CH](O)[CH](NCc2ccccc2)[CH]1O;c1ccc(cc1)CNC2C(C(C(C2O)O)O)O","InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-","","2006-01-24","2011-06-04","(1R,2R,3S,4S,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol",""],["9JV","8-azanyl-4-methoxy-quinoline-2-carboxylic acid","C11 H10 N2 O3","COc1cc(nc2c(N)cccc12)C(O)=O;COc1cc(nc2c1cccc2N)C(=O)O","InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)","","2021-11-15","2024-09-27","8-azanyl-4-methoxy-quinoline-2-carboxylic acid","2023-09-27"],["9JW","2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol","C19 H13 F2 N O2","Oc1cc(ccc1F)C(=C)c2cccc(n2)c3cccc(O)c3F;C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O","InChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2","","2017-05-26","2018-06-01","2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol","2018-06-06"],["SK4","4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide","C18 H17 N3 O4 S","O=S(=O)(c1ccc2ncc(c(c2c1)Nc3cccc(OC)c3)C(=O)N)C;COc1cccc(Nc2c(cnc3ccc(cc23)[S](C)(=O)=O)C(N)=O)c1;COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C","InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)","","2009-01-16","2011-06-04","4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide",""],["9JX","(4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one","C24 H23 Cl N4 O2 S","c5c(c1cccc(c1)N2C(=O)CC(C2)N4CCN(C(c3nccs3)=O)CC4)c(ccc5)Cl;Clc1ccccc1c2cccc(c2)N3C[CH](CC3=O)N4CCN(CC4)C(=O)c5sccn5;c1ccc(c(c1)c2cccc(c2)N3CC(CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl","InChI=1S/C24H23ClN4O2S/c25-21-7-2-1-6-20(21)17-4-3-5-18(14-17)29-16-19(15-22(29)30)27-9-11-28(12-10-27)24(31)23-26-8-13-32-23/h1-8,13-14,19H,9-12,15-16H2/t19-/m1/s1","","2018-05-18","2018-10-12","(4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one","2018-10-17"],["SK5","(E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one","C16 H11 F3 O","FC(F)(F)c1ccc(cc1)C(=O)C=Cc2ccccc2;c1ccc(cc1)C=CC(=O)c2ccc(cc2)C(F)(F)F","InChI=1S/C16H11F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+","(~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","2020-11-23","2021-10-29","(~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","2021-11-03"],["9JY","(2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol","C23 H31 N5 O3 S","C(S(=O)(=O)N1CCCC(C1)CC(Nc2c4n(ccn2)c(c3ccc(cc3)C)cn4)CO)C;CC[S](=O)(=O)N1CCC[CH](C[CH](CO)Nc2nccn3c(cnc23)c4ccc(C)cc4)C1;CCS(=O)(=O)N1CCCC(C1)CC(CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C","InChI=1S/C23H31N5O3S/c1-3-32(30,31)27-11-4-5-18(15-27)13-20(16-29)26-22-23-25-14-21(28(23)12-10-24-22)19-8-6-17(2)7-9-19/h6-10,12,14,18,20,29H,3-5,11,13,15-16H2,1-2H3,(H,24,26)/t18-,20-/m0/s1","","2017-05-16","2019-12-20","(2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol","2019-12-25"],["SK6","3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile","C22 H23 N5","N#Cc2cc(cc(NCCc1ncccc1)c2)CCc3nc(N)cc(c3)C;Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N","InChI=1S/C22H23N5/c1-16-10-20(27-22(24)11-16)6-5-17-12-18(15-23)14-21(13-17)26-9-7-19-4-2-3-8-25-19/h2-4,8,10-14,26H,5-7,9H2,1H3,(H2,24,27)","","2014-10-23","2015-01-09","3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile","2015-01-14"],["SK7","6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione","C10 H14 N2 O4","O=C1C(=C(C=C(/CO)CO)N(C(=O)N1)C)C;CN1C(=O)NC(=O)C(=C1C=C(CO)CO)C;CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO","InChI=1S/C10H14N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h3,13-14H,4-5H2,1-2H3,(H,11,15,16)","","2013-02-21","2013-03-01","6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione","2013-03-06"],["9JZ","(3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide","C28 H38 N6 O3","O=C(N3C(C(=O)Nc2ccccc2c1ncccn1)C(C)CC3)C(NC(=O)C(NC)C)C4CCCCC4;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2CC[CH](C)[CH]2C(=O)Nc3ccccc3c4ncccn4;CC1CCN(C1C(=O)Nc2ccccc2c3ncccn3)C(=O)C(C4CCCCC4)NC(=O)C(C)NC","InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1","","2009-06-04","2011-06-04","(3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide",""],["9K0","(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one","C26 H38 O3","O=C(C=C)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C;C[CH](CCC(=O)C=C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(CCC(=O)C=C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C26H38O3/c1-5-21(27)11-8-17(2)22-12-13-23-20(7-6-14-26(22,23)4)10-9-19-15-24(28)18(3)25(29)16-19/h5,9-10,17,22-25,28-29H,1,3,6-8,11-16H2,2,4H3/b20-10+/t17-,22-,23+,24-,25-,26-/m1/s1","","2018-05-17","2024-09-27","(6R)-6-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]hept-1-en-3-one","2018-07-18"],["SK8","6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole","C16 H12 F N3 S","Fc4ccc(c1nc3SCCn3c1c2ccncc2)cc4;Fc1ccc(cc1)c2nc3SCCn3c2c4ccncc4;c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F","InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2","SKF-86002","2013-07-30","2020-06-17","6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole","2014-02-12"],["SK9","(1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol","C18 H20 Cl N O2","c2(cc3C(c1cccc(c1)C)CN(CCc3c(c2O)Cl)C)O;CN1CCc2c(Cl)c(O)c(O)cc2[CH](C1)c3cccc(C)c3;Cc1cccc(c1)C2CN(CCc3c2cc(c(c3Cl)O)O)C","InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m1/s1","","2020-08-24","2021-02-19","(1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol","2021-02-24"],["9K1","(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol","C21 H21 N5 O","c31n(ccnc1NC(Cc2cccnc2)CO)c(cn3)c4ccc(C)cc4;Cc1ccc(cc1)c2cnc3n2ccnc3N[CH](CO)Cc4cccnc4;Cc1ccc(cc1)c2cnc3n2ccnc3NC(Cc4cccnc4)CO","InChI=1S/C21H21N5O/c1-15-4-6-17(7-5-15)19-13-24-21-20(23-9-10-26(19)21)25-18(14-27)11-16-3-2-8-22-12-16/h2-10,12-13,18,27H,11,14H2,1H3,(H,23,25)/t18-/m0/s1","","2017-05-16","2019-12-20","(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol","2019-12-25"],["9K2","1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","C17 H18 F N3","CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3C;Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F","InChI=1S/C17H18FN3/c1-11-8-13(18)5-6-14(11)12-4-7-16-15(9-12)17(20-19-16)10-21(2)3/h4-9H,10H2,1-3H3,(H,19,20)","","2017-05-26","2018-05-11","1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2018-05-16"],["SKA","7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE","C9 H9 Cl2 N","Clc1c(Cl)ccc2c1CNCC2;Clc1ccc2CCNCc2c1Cl;c1cc(c(c2c1CCNC2)Cl)Cl","InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2","SK&F 64139","2005-03-02","2021-03-01","7,8-dichloro-1,2,3,4-tetrahydroisoquinoline",""],["SKB","(E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one","C16 H11 F3 O","FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccccc2;c1ccc(cc1)C=CC(=O)c2cccc(c2)C(F)(F)F","InChI=1S/C16H11F3O/c17-16(18,19)14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+","(~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one","2020-11-23","2021-10-29","(~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one","2021-11-03"],["9K3","1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol","C17 H23 N5 O","n1c(N)c3c(c2c1cccc2)n(CC(O)(C)C)c(CNCC)n3;CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O;CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N","InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)","","2018-05-19","2019-01-25","1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol","2019-01-30"],["9K4","2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide","C32 H52 F3 N5 O9","C(Cc1c(cc(c(F)c1)F)F)(N)CC(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(C)=O)CC2;CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[CH](N)Cc2cc(F)c(F)cc2F;CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)CC(Cc2cc(c(cc2F)F)F)N","InChI=1S/C32H52F3N5O9/c1-25(41)37-2-8-44-10-12-46-14-16-48-18-19-49-17-15-47-13-11-45-9-3-38-31(42)24-39-4-6-40(7-5-39)32(43)22-27(36)20-26-21-29(34)30(35)23-28(26)33/h21,23,27H,2-20,22,24,36H2,1H3,(H,37,41)(H,38,42)/t27-/m1/s1","","2017-05-17","2018-05-04","2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide","2018-05-09"],["SKC","(2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","C24 H20 Cl F2 N5 O","Clc1ccc(cc1)c1cccnc1N1CC2(NC(=N)N(C)C(=O)C2C1)c1cc(F)ccc1F;CN1C(=N)N[C]2(CN(C[CH]2C1=O)c3ncccc3c4ccc(Cl)cc4)c5cc(F)ccc5F;CN1C(=O)C2CN(CC2(NC1=N)c3cc(ccc3F)F)c4c(cccn4)c5ccc(cc5)Cl","InChI=1S/C24H20ClF2N5O/c1-31-22(33)19-12-32(21-17(3-2-10-29-21)14-4-6-15(25)7-5-14)13-24(19,30-23(31)28)18-11-16(26)8-9-20(18)27/h2-11,19H,12-13H2,1H3,(H2,28,30)/t19-,24+/m0/s1","","2023-08-28","2024-08-23","(2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","2024-08-28"],["9K5","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate","C17 H16 F N5 O7 S","Nc1ncnc2n(cnc12)[CH]3O[CH](COC(=O)c4cccc(c4)[S](F)(=O)=O)[CH](O)[CH]3O;c1cc(cc(c1)S(=O)(=O)F)C(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-2-8(4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1","","2017-05-28","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate","2018-02-07"],["SKD","2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID","C11 H17 N O8","O=C(NC1C(O)CC2(OC1C(O2)C(O)CO)C(=O)O)C;CC(=O)N[CH]1[CH](O)C[C]2(O[CH]([CH](O)CO)[CH]1O2)C(O)=O;CC(=O)NC1C(CC2(OC1C(O2)C(CO)O)C(=O)O)O","InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6+,7+,8+,9+,11+/m0/s1","2,7-ANHYDRO-NEU5AC","1999-07-08","2020-06-17","(1R,2R,3S,5S,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name)",""],["9K6","5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline","C15 H19 N3 O2 S","C[CH]1CNCCCN1[S](=O)(=O)c2cccc3cnccc23;CC1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3","InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/t12-/m0/s1","1-(5-Isoquinolinylsulfonyl)-7-methylhomopiperazin","2016-12-03","2021-03-01","5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline","2018-06-06"],["SKE","4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide","C15 H12 F2 N6 O3 S","O=C(c1c(F)cccc1F)n2nc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3c(F)cccc3F;c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F","InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)","","2010-08-19","2011-07-29","4-{[5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide",""],["SKF","1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE","C9 H12 N2 O2 S","O=S(=O)(c1ccc2c(c1)CNCC2)N;N[S](=O)(=O)c1ccc2CCNCc2c1;c1cc2c(cc1S(=O)(=O)N)CNCC2","InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)","","2001-01-08","2011-06-04","1,2,3,4-tetrahydroisoquinoline-7-sulfonamide",""],["9K7","2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide","C27 H23 Cl N4 O5","C(Cl)C(N(C)c3c4ccc(C#N)cc4c(C)c(Oc1c(cccc1)OCCN2C(NC(C=C2)=O)=O)c3)=O;CN(C(=O)CCl)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N","InChI=1S/C27H23ClN4O5/c1-17-20-13-18(16-29)7-8-19(20)21(31(2)26(34)15-28)14-24(17)37-23-6-4-3-5-22(23)36-12-11-32-10-9-25(33)30-27(32)35/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,33,35)","","2017-05-17","2017-08-18","2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide","2017-08-23"],["9K8","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate","C19 H20 F N5 O7 S","CCc1ccc(cc1[S](F)(=O)=O)C(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CCc1ccc(cc1S(=O)(=O)F)C(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C19H20FN5O7S/c1-2-9-3-4-10(5-12(9)33(20,29)30)19(28)31-6-11-14(26)15(27)18(32-11)25-8-24-13-16(21)22-7-23-17(13)25/h3-5,7-8,11,14-15,18,26-27H,2,6H2,1H3,(H2,21,22,23)/t11-,14-,15-,18-/m1/s1","","2017-05-28","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate","2018-02-07"],["SKG"," 4-methylisoleucine","C7 H15 N O2","CC(C)[CH](C)[CH](N)C(O)=O;CC(C)C(C)C(C(=O)O)N","InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1","2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid","2020-03-10","2024-09-27","(2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid","2020-05-20"],["SKH","(3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid","C12 H22 N2 O6","C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O;CC(CC(=O)NCCCCC(C(=O)O)N)(CC(=O)O)O","InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12-/m0/s1","","2017-07-22","2024-09-27","(3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid","2017-11-29"],["9K9","2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one","C10 H12 N5 O7 P","O=C1c2c(NC(=N1)N)n(cn2)C4C3OP(OC3C(O4)CO)(=O)O;NC1=NC(=O)c2ncn([CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34)c2N1;c1nc2c(n1C3C4C(C(O3)CO)OP(=O)(O4)O)NC(=NC2=O)N","InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","2018-05-19","2019-01-25","2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one","2019-01-30"],["SKI","6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine","C22 H19 N3 O3","COc1cc2c(cc1OC)ncnc2Nc1ccc(Oc2ccccc2)cc1;COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC;COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)Oc4ccccc4","InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)","","2021-03-04","2023-09-01","6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine","2023-09-06"],["9KB","1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one","C17 H21 F N4 O","Fc1ccc(CN2CCN(CCCn3ccnc3)CC2=O)cc1;c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F","InChI=1S/C17H21FN4O/c18-16-4-2-15(3-5-16)12-22-11-10-20(13-17(22)23)7-1-8-21-9-6-19-14-21/h2-6,9,14H,1,7-8,10-13H2","","2017-05-30","2018-03-23","1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one","2018-03-28"],["SKJ","beta-methylnorleucine","C7 H15 N O2","CCC[CH](C)[CH](N)C(O)=O;CCCC(C)C(C(=O)O)N","InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1","(2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid","2020-03-10","2024-09-27","(2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid","2020-05-20"],["9KD","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide","C27 H22 N4 O5","c1c(c(ccc1)Oc2cc(c3c(c2C)cc(cc3)C#N)NC(=O)C=C)OCCN4C(NC(C=C4)=O)=O;Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(NC(=O)C=C)c4ccc(cc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N","InChI=1S/C27H22N4O5/c1-3-25(32)29-21-15-24(17(2)20-14-18(16-28)8-9-19(20)21)36-23-7-5-4-6-22(23)35-13-12-31-11-10-26(33)30-27(31)34/h3-11,14-15H,1,12-13H2,2H3,(H,29,32)(H,30,33,34)","","2017-05-17","2017-08-18","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide","2017-08-23"],["9KE","1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one","C17 H21 Cl N4 O","Clc1ccc(CN2CCN(CCCn3ccnc3)CC2=O)cc1;c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl","InChI=1S/C17H21ClN4O/c18-16-4-2-15(3-5-16)12-22-11-10-20(13-17(22)23)7-1-8-21-9-6-19-14-21/h2-6,9,14H,1,7-8,10-13H2","","2017-05-30","2018-03-23","1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one","2018-03-28"],["SKK","N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide","C19 H25 N7 O2","N#CC3N(C(=O)CNC(C)(C)CNC(=O)c1cn2nc(cc2nc1)C)CCC3;Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[CH]3C#N;Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCCC3C#N","InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1","Anagliptin","2014-02-07","2021-03-01","N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide","2015-07-15"],["9KF","ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate","C18 H18 O3","CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2;CCOC(=O)[CH](C)c1cccc(c1)C(=O)c2ccccc2;CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2","InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/t13-/m0/s1","","2018-05-21","2019-03-08","ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate","2019-03-13"],["SKL","2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide","C21 H14 Cl N3 O4","[O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1;Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3;Cc1ccc2c(c1)nc(o2)c3ccc(cc3)NC(=O)c4cc(ccc4Cl)[N+](=O)[O-]","InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)","","2022-07-07","2024-09-27","2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide","2022-09-07"],["SKM","(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID","C7 H10 O5","O=C(O)C1=CC(O)C(O)C(O)C1;O[CH]1CC(=C[CH](O)[CH]1O)C(O)=O;C1C(C(C(C=C1C(=O)O)O)O)O","InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1","SHIKIMATE","2004-08-16","2021-03-01","(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid",""],["9KG","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide","C28 H24 N4 O5","N1(C=CC(NC1=O)=O)CCOc2c(cccc2)Oc3cc(N(C(C=C)=O)C)c4c(c3C)cc(cc4)C#N;CN(C(=O)C=C)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N","InChI=1S/C28H24N4O5/c1-4-27(34)31(3)22-16-25(18(2)21-15-19(17-29)9-10-20(21)22)37-24-8-6-5-7-23(24)36-14-13-32-12-11-26(33)30-28(32)35/h4-12,15-16H,1,13-14H2,2-3H3,(H,30,33,35)","","2017-05-17","2017-08-18","N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide","2017-08-23"],["9KH","6-carboxy methyl-4-hydroxy-2-pyridinol","C8 H9 N O4","Cc1c(O)cc(O)nc1CC(O)=O;Cc1c(cc(nc1CC(=O)O)O)O","InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)","","2017-05-30","2017-07-14","2-[3-methyl-4,6-bis(oxidanyl)pyridin-2-yl]ethanoic acid","2017-07-19"],["SKN","((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid","C24 H27 B N4 O4","CCc1cccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)c3cnccn3)B(O)O)c1;B(C(Cc1cccc(c1)CC)NC(=O)C(Cc2ccccc2)NC(=O)c3cnccn3)(O)O","InChI=1S/C24H27BN4O4/c1-2-17-9-6-10-19(13-17)15-22(25(32)33)29-23(30)20(14-18-7-4-3-5-8-18)28-24(31)21-16-26-11-12-27-21/h3-13,16,20,22,32-33H,2,14-15H2,1H3,(H,28,31)(H,29,30)/t20-,22-/m0/s1","[(1~{R})-2-(3-ethylphenyl)-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]ethyl]boronic acid; [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid","2020-11-23","2024-09-27","[(1~{R})-2-(3-ethylphenyl)-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]ethyl]boronic acid","2021-12-01"],["SKO","N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'-DIMETHYL-ETHANE-1,2-DIAMINE","C17 H25 N5","CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1;Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC","InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)","","2015-03-22","2015-06-19","N'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-N,N'-dimethyl-ethane-1,2-diamine","2015-06-24"],["9KI","methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate","C28 H29 F N10 O2","COC(=O)N[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6;CC(c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)NC(=O)OC","InChI=1S/C28H29FN10O2/c1-28(35-27(40)41-3,21-4-6-23(29)7-5-21)22-14-30-26(31-15-22)38-10-8-37(9-11-38)25-24-12-19(17-39(24)34-18-32-25)20-13-33-36(2)16-20/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1","","2023-07-14","2023-12-22","methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate","2023-12-27"],["9KJ","{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid","C13 H26 N O12 P","C(C2C(OC1C(O)C(C(C(CO)O1)O)O)C(C(N2CP(=O)(O)O)CO)O)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)N(C[P](O)(O)=O)[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(N1CP(=O)(O)O)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C13H26NO12P/c15-1-5-8(18)12(6(2-16)14(5)4-27(22,23)24)26-13-11(21)10(20)9(19)7(3-17)25-13/h5-13,15-21H,1-4H2,(H2,22,23,24)/t5-,6-,7-,8-,9-,10+,11-,12-,13-/m1/s1","{[(2R,3R,4R,5R)-3-(alpha-D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid;\n{[(2R,3R,4R,5R)-3-(D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid;\n{[(2R,3R,4R,5R)-3-(glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid","2017-05-17","2020-07-17","{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid","2017-06-07"],["SKP","5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID","C10 H16 O14 P2","O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)C;C[C](O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O)(O[P](O)(O)=O)C(O)=O;CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O","InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1","5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-SHIKIMATE-3-PHOSPHATE","2003-08-13","2021-03-01","(3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["SKQ","5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one","C14 H19 Cl N4 O2","ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2;C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl","InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21)","GFB-9289","2020-11-24","2020-12-04","5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one","2020-12-09"],["9KK","N-methyl norleucine","C7 H15 N O2","CCCC[CH](NC)C(O)=O;CCCCC(C(=O)O)NC","InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1","","2017-05-30","2024-09-27","(2~{S})-2-(methylamino)hexanoic acid","2017-09-20"],["9KL","(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid","C16 H14 O3","c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2;C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2;CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O","InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1","Dexketoprofen","2018-05-21","2020-06-17","(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid","2019-03-13"],["SKR","~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide","C23 H37 N O5","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH](C)CNC(C)=O;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)CNC(=O)C)O)C)COC","InChI=1S/C23H37NO5/c1-12(10-24-14(3)25)17-8-19(26)23(4)9-18-15(11-29-5)6-7-16(18)13(2)21(27)22(28)20(17)23/h9,12-13,15-16,19,21-22,26-28H,6-8,10-11H2,1-5H3,(H,24,25)/b18-9-/t12-,13-,15-,16+,19+,21-,22-,23+/m1/s1","","2022-12-15","2024-06-21","~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide","2024-06-26"],["SKT","(3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid","C16 H16 O7","O[CH]1C=C(C[CH](OC(=O)C=Cc2ccc(O)cc2)[CH]1O)C(O)=O;c1cc(ccc1C=CC(=O)OC2CC(=CC(C2O)O)C(=O)O)O","InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1","","2015-12-14","2016-02-19","(3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid","2016-02-24"],["9KO","N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide","C33 H32 F3 N9 O3","c6cc(C(F)(F)F)cc(C(=O)Nc1ccc(c(c1)N5C(N(C)c4nc(Nc2cnc(cc2)N3CCN(C(C)=O)CC3)ncc4C5)=O)C)c6;CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N4CCN(CC4)C(C)=O)nc12)c5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C;Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F","InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41)","","2018-05-21","2018-09-21","N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide","2018-09-26"],["9KP","(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine","C17 H20 N2 O6","C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1;N[CH](CCCCN=C(C=Cc1ccccc1C(O)=O)C(O)=O)C(O)=O;c1ccc(c(c1)C=CC(=NCCCCC(C(=O)O)N)C(=O)O)C(=O)O","InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1","","2017-05-18","2024-09-27","(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine","2019-04-10"],["SKU","3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid","C18 H14 Cl N O7 S3","COC(=O)c1sc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)c3ccc(Cl)cc3;COC(=O)c1c(cc(s1)c2ccc(cc2)Cl)NS(=O)(=O)c3cccc(c3)S(=O)(=O)O","InChI=1S/C18H14ClNO7S3/c1-27-18(21)17-15(10-16(28-17)11-5-7-12(19)8-6-11)20-29(22,23)13-3-2-4-14(9-13)30(24,25)26/h2-10,20H,1H3,(H,24,25,26)","","2023-04-13","2024-09-27","3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid","2024-03-27"],["SKV","2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide","C28 H28 F4 N6 O4","CC(C)[CH](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N2CCC3(CC2)N(C(=O)N(C)C3=O)c4ccc5n[nH]cc5c4;CC(C)C(C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F","InChI=1S/C28H28F4N6O4/c1-15(2)22(34-23(39)19-13-17(28(30,31)32)4-6-20(19)29)24(40)37-10-8-27(9-11-37)25(41)36(3)26(42)38(27)18-5-7-21-16(12-18)14-33-35-21/h4-7,12-15,22H,8-11H2,1-3H3,(H,33,35)(H,34,39)/t22-/m1/s1","","2020-03-10","2020-07-03","2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide","2020-07-08"],["9KQ","2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline","C16 H11 N5","n1c(nc(c2ccccc12)n3cnnc3)c4ccccc4;c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4;c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4","InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H","","2013-05-20","2013-09-13","2-phenyl-4-(4H-1,2,4-triazol-4-yl)quinazoline","2013-09-18"],["9KR","(E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one","C27 H40 O3","O=C(C=CC)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C;CC=CC(=O)CC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC=CC(=O)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C27H40O3/c1-5-7-22(28)12-9-18(2)23-13-14-24-21(8-6-15-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h5,7,10-11,18,23-26,29-30H,3,6,8-9,12-17H2,1-2,4H3/b7-5+,21-11+/t18-,23-,24+,25-,26-,27-/m1/s1","","2018-05-22","2024-09-27","(2E,7R)-7-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-2-en-4-one","2018-07-18"],["SKW","~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide","C17 H17 Br N4 O S","C[C]1(CCSC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2;CC1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br","InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1","(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)phenyl)-5-bromopicolinamide","2020-11-24","2021-04-23","~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide","2021-04-28"],["SKX","7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide","C25 H25 F2 N5 O4","Fc1ccc(c(F)c1)C(O)(Cn1cncn1)CNC(=O)C1=Cc2ccc(cc2OC1=O)N(CC)CC;CCN(CC)c1ccc2C=C(C(=O)NC[C](O)(Cn3cncn3)c4ccc(F)cc4F)C(=O)Oc2c1;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NCC(Cn3cncn3)(c4ccc(cc4F)F)O","InChI=1S/C25H25F2N5O4/c1-3-31(4-2)18-7-5-16-9-19(24(34)36-22(16)11-18)23(33)29-12-25(35,13-32-15-28-14-30-32)20-8-6-17(26)10-21(20)27/h5-11,14-15,35H,3-4,12-13H2,1-2H3,(H,29,33)/t25-/m0/s1","","2022-07-07","2022-08-12","7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide","2022-08-17"],["9KS","N-(2-hydroxyphenyl)acetamide","C8 H9 N O2","N(C(C)=O)c1ccccc1O;CC(=O)Nc1ccccc1O;CC(=O)Nc1ccccc1O","InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)","","2017-05-19","2018-08-03","N-(2-hydroxyphenyl)acetamide","2018-08-08"],["9KT","1,4-dimethylquinoxaline-2,3-dione","C10 H10 N2 O2","CN1C(=O)C(=O)N(C)c2ccccc12;CN1c2ccccc2N(C(=O)C1=O)C","InChI=1S/C10H10N2O2/c1-11-7-5-3-4-6-8(7)12(2)10(14)9(11)13/h3-6H,1-2H3","","2017-05-31","2018-06-08","1,4-dimethylquinoxaline-2,3-dione","2018-06-13"],["SKY","1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole","C18 H19 N3 O5","n1nn(cc1c3cc2ccccc2cc3)C4OC(C(O)C(O)C4O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(nn2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3cn(nn3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C18H19N3O5/c22-9-14-15(23)16(24)17(25)18(26-14)21-8-13(19-20-21)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2/t14-,15-,16+,17-,18-/m1/s1","","2009-02-05","2011-06-04","1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole",""],["SKZ","[2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-\n(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron","C16 H22 Fe N4 O9","O=C3O[Fe]5124O/C(=C)N(O1)CCCNC(=O)CC3(O2)CC(=O)NCCCN(O4)C(O5)=C;C=C1O[Fe]2345O[N]1CCCNC(=O)CC(CC(=O)NCCC[N](O2)C(=C)O3)(O4)C(=O)O5;C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O","InChI=1S/C16H25N4O9.Fe/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22;/h21-22H,1-10H2,(H,17,23)(H,18,24)(H,25,26);/q-3;+6/p-3","Schizokinen","2011-09-17","2020-06-17","[2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron","2012-08-31"],["9KU","5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","C21 H19 N3 O6","C4(NC(C1CCCN1C(=O)COc3cccc2ccccc23)=NC(=C4O)C(O)=O)=O;OC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3cccc4ccccc34;c1ccc2c(c1)cccc2OCC(=O)N3CCCC3C4=NC(=C(C(=O)N4)O)C(=O)O","InChI=1S/C21H19N3O6/c25-16(11-30-15-9-3-6-12-5-1-2-7-13(12)15)24-10-4-8-14(24)19-22-17(21(28)29)18(26)20(27)23-19/h1-3,5-7,9,14,26H,4,8,10-11H2,(H,28,29)(H,22,23,27)/t14-/m0/s1","SRI-29789","2017-07-11","2020-06-17","5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid","2018-01-03"],["9KV","(2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide","C31 H35 N3 O S","n3c6c(n(C(C(=O)NC1CCCCC1)C2CCCCC2)c3c5ccc(c4ccccc4)s5)cccc6;O=C(NC1CCCCC1)[CH](C2CCCCC2)n3c4ccccc4nc3c5sc(cc5)c6ccccc6;c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3C(C5CCCCC5)C(=O)NC6CCCCC6","InChI=1S/C31H35N3OS/c35-31(32-24-16-8-3-9-17-24)29(23-14-6-2-7-15-23)34-26-19-11-10-18-25(26)33-30(34)28-21-20-27(36-28)22-12-4-1-5-13-22/h1,4-5,10-13,18-21,23-24,29H,2-3,6-9,14-17H2,(H,32,35)/t29-/m0/s1","","2017-05-19","2017-06-30","(2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide","2017-07-05"],["SL0","5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside","C25 H24 O12","O=C2C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4;C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[CH](O)[CH](OC(C)=O)[CH]1OC(C)=O;CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C","InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1","SL 0101-1","2011-11-16","2021-03-01","5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside","2012-08-31"],["9KW","~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide","C24 H28 N4 O5 S","CN1C(=O)C(=O)N(C)c2cc(N3CCOCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12;CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5","InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3","","2017-05-31","2018-06-08","~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide","2018-06-13"],["SL1","N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-1-YL}ACETAMIDE","C30 H33 N7 O5 S","O=CC(NC(=O)CN1C(=O)C(N=C(c2ccccc12)c3ccccc3)NS(=O)(=O)Cc4ccccc4)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NC(=O)CN1C(=O)[CH](N[S](=O)(=O)Cc2ccccc2)N=C(c3ccccc3)c4ccccc14)C=O;c1ccc(cc1)CS(=O)(=O)NC2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)NC(CCCNC(=N)N)C=O","InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1","","2004-06-15","2024-09-27","2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(1S)-4-carbamimidamido-1-formylbutyl]acetamide",""],["9KX","(2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one","C27 H38 O3","OC1CC(/CC(C/1=C)O)=C/C=C3/C2C(C(CC2)C(C)C(=O)C=C[C@H]=CC)(CCC3)C;CC=CC=CC(=O)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC=CC=CC(=O)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C27H38O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-7,10-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,10-7+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1","","2018-05-22","2024-09-27","(2S,4E,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]octa-4,6-dien-3-one","2018-07-18"],["SL2","3'-DEOXY-2'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE","C19 H28 N6 O11 P2","O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(OC(=O)C3=CC(N(O)C3(C)C)(C)C)C4;CC1(C)C=C(C(=O)O[CH]2C[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]2n3cnc4c(N)ncnc34)C(C)(C)N1O;CC1(C=C(C(N1O)(C)C)C(=O)OC2CC(OC2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)C","InChI=1S/C19H28N6O11P2/c1-18(2)6-11(19(3,4)25(18)27)17(26)35-12-5-10(7-33-38(31,32)36-37(28,29)30)34-16(12)24-9-23-13-14(20)21-8-22-15(13)24/h6,8-10,12,16,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t10-,12+,16+/m0/s1","","2003-04-23","2011-06-04","3'-deoxy-2'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate)",""],["SL3","2'-DEOXY-3'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE","C19 H28 N6 O11 P2","O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)C3=CC(N(O)C3(C)C)(C)C;CC1(C)C=C(C(=O)O[CH]2C[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34)C(C)(C)N1O;CC1(C=C(C(N1O)(C)C)C(=O)OC2CC(OC2COP(=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C","InChI=1S/C19H28N6O11P2/c1-18(2)6-10(19(3,4)25(18)27)17(26)35-11-5-13(24-9-23-14-15(20)21-8-22-16(14)24)34-12(11)7-33-38(31,32)36-37(28,29)30/h6,8-9,11-13,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t11-,12+,13+/m0/s1","","2003-04-23","2011-06-04","2'-deoxy-3'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate)",""],["9KY","(2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide","C28 H35 N3 O2","n3c5c(n(C(C(NC1CCCCC1)=O)C2CCCCC2)c3c4ccc(cc4)CO)cccc5;OCc1ccc(cc1)c2nc3ccccc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5;c1ccc2c(c1)nc(n2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO","InChI=1S/C28H35N3O2/c32-19-20-15-17-22(18-16-20)27-30-24-13-7-8-14-25(24)31(27)26(21-9-3-1-4-10-21)28(33)29-23-11-5-2-6-12-23/h7-8,13-18,21,23,26,32H,1-6,9-12,19H2,(H,29,33)/t26-/m0/s1","","2017-05-19","2017-06-30","(2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide","2017-07-05"],["9KZ","ethyl 2,4-dimethylquinoline-3-carboxylate","C14 H15 N O2","CCOC(=O)c1c(C)nc2ccccc2c1C;CCOC(=O)c1c(c2ccccc2nc1C)C","InChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3","","2017-05-31","2018-05-11","ethyl 2,4-dimethylquinoline-3-carboxylate","2018-05-16"],["SL4","5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile","C23 H20 F N3 O4 S","CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34;CC(C)(C)C1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O","InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1","","2020-03-11","2020-10-30","5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile","2020-11-04"],["SL5","(2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid","C8 H15 N O5","O=C(O)C1NC(OC1C)COCCO;C[CH]1O[CH](COCCO)N[CH]1C(O)=O;CC1C(NC(O1)COCCO)C(=O)O","InChI=1S/C8H15NO4.H2O/c1-3-12-4-6-9-7(8(10)11)5(2)13-6;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H2/p-1/t5-,6+,7+;/m1./s1","","2012-06-06","2024-09-27","(2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid","2013-06-26"],["9L0","(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile","C21 H18 F N7 O","Cc1cc(n(C)n1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12;Cn1nc(C)cc1c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N;Cc1cc(n(n1)C)c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F","InChI=1S/C21H18FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,24,25)","MRTX-1919","2021-10-20","2022-11-04","(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile","2022-11-09"],["9L1","5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid","C32 H45 N O6","c1c(C(O)=O)cc(C(O)=O)cc1NC(CCC(C4CCC5C2C(C3(C)C(CC2)CC(CC3)O)CCC45C)C)=O;C[CH](CCC(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)[CH]2CC[CH]3[CH]4CC[CH]5C[CH](O)CC[C]5(C)[CH]4CC[C]23C;CC(CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C","InChI=1S/C32H45NO6/c1-18(4-9-28(35)33-22-15-19(29(36)37)14-20(16-22)30(38)39)25-7-8-26-24-6-5-21-17-23(34)10-12-31(21,2)27(24)11-13-32(25,26)3/h14-16,18,21,23-27,34H,4-13,17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t18-,21-,23-,24+,25-,26+,27+,31+,32-/m1/s1","","2017-05-19","2017-06-30","5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid","2017-07-05"],["SL6","(Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid","C23 H30 Cl N O4","O=C(O)C(O)=CC(=O)C2(CCN(CC1CCCCC1)CC2)Cc3ccc(Cl)cc3;OC(=O)C(O)=CC(=O)C1(CCN(CC1)CC2CCCCC2)Cc3ccc(Cl)cc3;c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)C=C(C(=O)O)O)Cl","InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,14,18,26H,1-5,10-13,15-16H2,(H,28,29)/b20-14-","","2012-06-11","2014-09-05","(2Z)-4-[4-(4-chlorobenzyl)-1-(cyclohexylmethyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid",""],["SL7","5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid","C19 H18 N6 O4","CN(C)c1noc(n1)c2cccc(CNc3ccc4n[nH]c(C(O)=O)c4c3)c2O;CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O","InChI=1S/C19H18N6O4/c1-25(2)19-21-17(29-24-19)12-5-3-4-10(16(12)26)9-20-11-6-7-14-13(8-11)15(18(27)28)23-22-14/h3-8,20,26H,9H2,1-2H3,(H,22,23)(H,27,28)","","2020-03-11","2021-05-07","5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid","2021-05-12"],["9L2","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol","C15 H19 N3 O4","N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]cc(n2)c3ccccc3;c1ccc(cc1)c2c[nH]c(n2)C3C(C(C(C(O3)CO)O)O)N","InChI=1S/C15H19N3O4/c16-11-13(21)12(20)10(7-19)22-14(11)15-17-6-9(18-15)8-4-2-1-3-5-8/h1-6,10-14,19-21H,7,16H2,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1","","2017-05-31","2017-09-22","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol","2017-09-27"],["9L3","[(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H17 N3 O6 P","Cc1c[n+](cnc1N)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;Cc1c[n+](cnc1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O6P/c1-6-3-13(5-12-10(6)11)9-2-7(14)8(19-9)4-18-20(15,16)17/h3,5,7-9,11,14H,2,4H2,1H3,(H2,15,16,17)/p+1/t7-,8+,9+/m0/s1","","2018-05-22","2022-03-16","[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2019-04-24"],["SL8","~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide","C19 H18 Br F3 N4 O2","C[C]1(CO[C](C)(C(=N1)N)C(F)(F)F)c2cccc(NC(=O)c3ccc(Br)cn3)c2;CC1(COC(C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br","InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1","","2020-11-25","2021-04-23","~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide","2021-04-28"],["9L4","3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid","C28 H23 Cl2 F2 N3 O3","n3(C(C(=O)Nc1c(Cl)cc(C(O)=O)cc1)C2CCCCC2)c5cc(c(cc5nc3c4ccc(Cl)cc4)F)F;OC(=O)c1ccc(NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)c(Cl)c1;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl","InChI=1S/C28H23Cl2F2N3O3/c29-18-9-6-16(7-10-18)26-33-23-13-20(31)21(32)14-24(23)35(26)25(15-4-2-1-3-5-15)27(36)34-22-11-8-17(28(37)38)12-19(22)30/h6-15,25H,1-5H2,(H,34,36)(H,37,38)/t25-/m0/s1","","2017-05-19","2017-06-30","3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid","2017-07-05"],["SL9","(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide","C10 H20 N4 O2 S","CC(=O)N[CH](CCCCNC(=N)CS)C(N)=O;CC(=O)NC(CCCCNC(=N)CS)C(=O)N","InChI=1S/C10H20N4O2S/c1-7(15)14-8(10(12)16)4-2-3-5-13-9(11)6-17/h8,17H,2-6H2,1H3,(H2,11,13)(H2,12,16)(H,14,15)/t8-/m0/s1","","2022-12-15","2023-09-22","(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide","2023-09-27"],["9L5","~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide","C19 H23 N5 O2","CCN1C(=O)C(=Nc2cc(ccc12)C(=O)N[CH](C)c3cnn(C)c3C)C;CCN1c2ccc(cc2N=C(C1=O)C)C(=O)NC(C)c3cnn(c3C)C","InChI=1S/C19H23N5O2/c1-6-24-17-8-7-14(9-16(17)21-12(3)19(24)26)18(25)22-11(2)15-10-20-23(5)13(15)4/h7-11H,6H2,1-5H3,(H,22,25)/t11-/m0/s1","","2017-06-01","2018-06-08","~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide","2018-06-13"],["SLA","Omuralide, open form","C10 H17 N O4","O=CC1(NC(=O)C(C1O)C)C(O)C(C)C;CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O;CC1C(C(NC1=O)(C=O)C(C(C)C)O)O","InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1","(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde","2011-06-04","2024-09-27","(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde",""],["SLB","N-acetyl-beta-neuraminic acid","C11 H19 N O9","O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1;CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O","InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1","N-acetylneuraminic acid; sialic acid; O-sialic acid; 5-N-ACETYL-BETA-D-NEURAMINIC ACID; BETA-SIALIC ACID","2001-04-20","2020-07-17","5-(acetylamino)-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid",""],["9L6","cyclopropylmethanamine","C4 H9 N","NCC1CC1;C1CC1CN","InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2","","2021-11-19","2022-11-25","cyclopropylmethanamine","2022-11-30"],["9L7","(2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide","C34 H37 N3 O2","c6c1c(n(c(n1)c2ccc(cc2)C(=O)c3ccccc3)C(C(NC4CCCCC4)=O)C5CCCCC5)ccc6;O=C(NC1CCCCC1)[CH](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5)C(=O)c6ccccc6;c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3C(C5CCCCC5)C(=O)NC6CCCCC6","InChI=1S/C34H37N3O2/c38-32(25-14-6-2-7-15-25)26-20-22-27(23-21-26)33-36-29-18-10-11-19-30(29)37(33)31(24-12-4-1-5-13-24)34(39)35-28-16-8-3-9-17-28/h2,6-7,10-11,14-15,18-24,28,31H,1,3-5,8-9,12-13,16-17H2,(H,35,39)/t31-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide","2017-07-05"],["SLC","SELENO-CAPTOPRIL","C9 H13 N O3 Se","O=C(O)C1N(C(=O)C(=C)C[SeH])CCC1;OC(=O)[CH]1CCCN1C(=O)C(=C)C[SeH];C=C(C[SeH])C(=O)N1CCCC1C(=O)O","InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1","1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE","2011-03-22","2021-03-01","1-[2-(selanylmethyl)acryloyl]-L-proline",""],["SLD","(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide","C25 H28 F N5 O6","O=C(NCC3OC(=O)N(c2ccc(/C=C/CCCNC(=O)C/C=C1/C(=NC(=O)NC1=O)C)c(F)c2)C3)C;CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(C=CCCCNC(=O)CC=C3C(=NC(=O)NC3=O)C)c(F)c2;CC1=NC(=O)NC(=O)C1=CCC(=O)NCCCC=Cc2ccc(cc2F)N3CC(OC3=O)CNC(=O)C","InChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-9,12,19H,3,5,10-11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,30,34,35)/b6-4+,20-9-/t19-/m0/s1","","2008-07-16","2011-06-04","(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide",""],["9L8","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4-diol","C18 H20 N4 O4","N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]nc(n2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3nc([nH]n3)C4C(C(C(C(O4)CO)O)O)N","InChI=1S/C18H20N4O4/c19-13-15(25)14(24)12(8-23)26-16(13)18-20-17(21-22-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-16,23-25H,8,19H2,(H,20,21,22)/t12-,13-,14-,15-,16-/m1/s1","","2017-06-01","2017-09-22","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4-diol","2017-09-27"],["9L9","(2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid","C17 H19 N7 O7","O=C2C(NC(=O)Nc1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)=C(N=C(N)N2)N;NC1=NC(=C(NC(=O)Nc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1)N;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N","InChI=1S/C17H19N7O7/c18-12-11(14(28)24-16(19)23-12)22-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6H2,(H,21,27)(H,25,26)(H,29,30)(H2,20,22,31)(H5,18,19,23,24,28)/t9-/m0/s1","","2012-08-01","2014-09-05","N-(4-{[(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)carbamoyl]amino}benzoyl)-L-glutamic acid",""],["SLE","2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID","C7 H14 O2 S","O=C(O)C(CC(C)C)CS;CC(C)C[CH](CS)C(O)=O;CC(C)CC(CS)C(=O)O","InChI=1S/C7H14O2S/c1-5(2)3-6(4-10)7(8)9/h5-6,10H,3-4H2,1-2H3,(H,8,9)/t6-/m1/s1","","1999-07-08","2011-06-04","(2S)-4-methyl-2-(sulfanylmethyl)pentanoic acid",""],["SLF","SULFATE-3-D-GALACTOSYL-BETA-1-1-N-STEAROYL-D-SPHINGOSINE","C42 H81 N O11 S","O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO;CCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1","","2003-03-20","2011-06-04","N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]octadecanamide",""],["9LA","4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid","C28 H25 Cl F2 N2 O3","n3(C(C1CCCCC1)COc2ccc(cc2)C(O)=O)c5cc(F)c(cc5nc3c4ccc(cc4)Cl)F;OC(=O)c1ccc(OC[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)cc1;c1cc(ccc1c2nc3cc(c(cc3n2C(COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl","InChI=1S/C28H25ClF2N2O3/c29-20-10-6-18(7-11-20)27-32-24-14-22(30)23(31)15-25(24)33(27)26(17-4-2-1-3-5-17)16-36-21-12-8-19(9-13-21)28(34)35/h6-15,17,26H,1-5,16H2,(H,34,35)/t26-/m1/s1","","2017-05-19","2017-06-30","4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid","2017-07-05"],["9LB","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol","C14 H18 N4 O4","N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]c(nn2)c3ccccc3;c1ccc(cc1)c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)N","InChI=1S/C14H18N4O4/c15-9-11(21)10(20)8(6-19)22-12(9)14-16-13(17-18-14)7-4-2-1-3-5-7/h1-5,8-12,19-21H,6,15H2,(H,16,17,18)/t8-,9-,10-,11-,12-/m1/s1","","2017-06-01","2017-09-22","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol","2017-09-27"],["SLG","2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid","C24 H17 Cl2 F N2 O3","CN(Cc1ccc(F)cc1c2ccc(C(O)=O)c(Cl)c2)C(=O)c3[nH]c4cc(Cl)ccc4c3;CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl","InChI=1S/C24H17Cl2FN2O3/c1-29(23(30)22-9-14-2-5-16(25)10-21(14)28-22)12-15-3-6-17(27)11-19(15)13-4-7-18(24(31)32)20(26)8-13/h2-11,28H,12H2,1H3,(H,31,32)","","2020-03-11","2021-05-07","2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid","2021-05-12"],["9LC"," (4S,4aS,6aR,8R,9R,11E,12aR,14aS,17E,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-11,12a,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,12a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)cyclobuta[b]naphtho[2,1-j][1]azacyclotetradecine-16,18(1H,15H)-dione","C30 H43 N O5","CC[CH]1CC(=C[C]2(C)[CH](C)C[C]23NC(=O)C(=C3O)C(=O)[C]4(C)[CH](C[CH]1O)C=C[CH]5[CH](O)CCC[CH]45)C;CCC1CC(=CC2(C(CC23C(=C(C(=O)C4(C5CCCC(C5C=CC4CC1O)O)C)C(=O)N3)O)C)C)C","InChI=1S/C30H43NO5/c1-6-18-12-16(2)14-28(4)17(3)15-30(28)26(35)24(27(36)31-30)25(34)29(5)19(13-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,14,17-23,32-33,35H,6-9,12-13,15H2,1-5H3,(H,31,36)/b16-14+/t17-,18-,19+,20+,21-,22+,23-,28+,29-,30-/m1/s1","","2022-03-11","2023-02-03","","2023-02-08"],["SLH","(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal","C25 H35 N5 O2","C3C1C(CCCC1)CC(CNC(C=O)Cc2ncnc2)N3C(=O)CCNc4ccccc4;O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC[CH]3CN2C(=O)CCNc4ccccc4;c1ccc(cc1)NCCC(=O)N2CC3CCCCC3CC2CNC(Cc4cnc[nH]4)C=O","InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23-,24+/m0/s1","","2015-07-03","2024-09-27","(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal","2016-06-22"],["9LD","ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate","C26 H24 N4 O5 S2","n3(c1ccccc1)c(C(Nc2ccc(C(OCC)=O)cc2)=O)c4c(n3)CCN(C4)S(=O)(=O)c5cccs5;CCOC(=O)c1ccc(NC(=O)c2n(nc3CCN(Cc23)[S](=O)(=O)c4sccc4)c5ccccc5)cc1;CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5","InChI=1S/C26H24N4O5S2/c1-2-35-26(32)18-10-12-19(13-11-18)27-25(31)24-21-17-29(37(33,34)23-9-6-16-36-23)15-14-22(21)28-30(24)20-7-4-3-5-8-20/h3-13,16H,2,14-15,17H2,1H3,(H,27,31)","","2017-05-19","2017-06-30","ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate","2017-07-05"],["SLI","2-hydroxy-N-phenylbenzamide","C13 H11 N O2","Oc1ccccc1C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2ccccc2O","InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)","","2010-02-15","2011-06-04","2-hydroxy-N-phenyl-benzamide",""],["SLJ","5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid","C18 H20 N4 O3","CCCOc1ncccc1CN(C)c2ccc3n[nH]c(C(O)=O)c3c2;CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O","InChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24)","","2020-03-11","2021-05-07","5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid","2021-05-12"],["9LE","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol","C19 H21 N3 O4","N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]cc(n2)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)c3c[nH]c(n3)C4C(C(C(C(O4)CO)O)O)N","InChI=1S/C19H21N3O4/c20-15-17(25)16(24)14(9-23)26-18(15)19-21-8-13(22-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,23-25H,9,20H2,(H,21,22)/t14-,15-,16-,17-,18-/m1/s1","","2017-06-01","2017-09-22","(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol","2017-09-27"],["9LF","(2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate","C39 H49 N O14","COC1C(C(C(C(C(C(C(C=CC=C(C(Nc4c(c3c(c(c2OC(OC=C1)(C)C(c2c3c(c4)OC(=O)CO)=O)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)cc(OC(=O)CO)c4c3C2=O;Cc1c(c2c3c(cc(c2O)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)C)OC(=O)CO)O","InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(53-27(43)16-41)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)51-14-13-25(50-9)19(3)35(52-23(7)42)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,41,44-47H,16H2,1-9H3,(H,40,49)/b11-10+,14-13+,18-12+/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1","Rifamycin L","2018-05-24","2021-03-01","(2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate","2018-07-04"],["SLK","~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide","C21 H19 F4 N5 O2","Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)CO[C](C)(C(=N3)N)C(F)(F)F)C#N;Cc1cc(cnc1C(=O)Nc2ccc(c(c2)C3(COC(C(=N3)N)(C)C(F)(F)F)C)F)C#N","InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1","","2020-11-25","2021-04-23","~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide","2021-04-28"],["SLL","(2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid","C10 H18 N2 O5","O=C(O)C(N)CCCCNC(=O)CCC(=O)O;N[CH](CCCCNC(=O)CCC(O)=O)C(O)=O;C(CCNC(=O)CCC(=O)O)CC(C(=O)O)N","InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1","6-N-succinyl-L-lysine","2010-03-04","2024-09-27","N~6~-(3-carboxypropanoyl)-L-lysine",""],["9LG","N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","C28 H26 F N3 O3 S","c4(C(=O)NCc1ccccc1)cc3CCN(S(c2ccccc2F)(=O)=O)Cc3n4Cc5ccccc5;Fc1ccccc1[S](=O)(=O)N2CCc3cc(n(Cc4ccccc4)c3C2)C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F","InChI=1S/C28H26FN3O3S/c29-24-13-7-8-14-27(24)36(34,35)31-16-15-23-17-25(28(33)30-18-21-9-3-1-4-10-21)32(26(23)20-31)19-22-11-5-2-6-12-22/h1-14,17H,15-16,18-20H2,(H,30,33)","","2017-05-19","2017-06-30","N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","2017-07-05"],["9LH","Tunicamycin","C38 H62 N4 O16","CC(C)CCCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4NC(C)=O;CC(C)CCCCCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O","InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1","","2017-06-01","2018-02-23","(~{E})-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(2~{R})-2-[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxan-3-yl]-13-methyl-tetradec-2-enamide","2018-02-28"],["SLM","(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide","C11 H20 N2 O8","O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1;CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(N)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)N)O)O","InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1","SIALYLAMIDE","2010-11-04","2020-07-17","(2S,4S,5R,6R)-5-(acetylamino)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxamide\n(non-preferred name)",""],["SLN","1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDINYL-3-CARBAMIDO)-2-PROPYLDISPHOSPHATE","C18 H29 N7 O11 P2","[O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCC(OP(=O)(O)OP(=O)(O)O)CNC(=O)C2C(N(O)C(C)(C)C2)(C)C;CC1(C)C[CH](C(=O)NC[CH](CNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])O[P](O)(=O)O[P](O)(O)=O)C(C)(C)N1O;CC1(CC(C(N1O)(C)C)C(=O)NCC(CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])OP(=O)(O)OP(=O)(O)O)C","InChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1","(SL-NANDP)","2003-04-22","2021-03-01","(1S)-2-[(4-azido-2-nitrophenyl)amino]-1-[({[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]carbonyl}amino)methyl]ethyl trihydrogen diphosphate",""],["9LI","2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine","C11 H12 Cl2 N2","Clc1cc2c(c(Cl)c1)c(c(n2)C)CCN;Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN;Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN","InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3","","2012-02-23","2012-03-30","2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine",""],["9LJ","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide","C28 H23 Cl F2 N4 O","c5c1c(n(c(n1)c2ccc(cc2)Cl)C(C3CCCCC3)C(=O)Nc4c(C#N)cccc4)cc(c5F)F;Fc1cc2nc(n([CH](C3CCCCC3)C(=O)Nc4ccccc4C#N)c2cc1F)c5ccc(Cl)cc5;c1ccc(c(c1)C#N)NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F","InChI=1S/C28H23ClF2N4O/c29-20-12-10-18(11-13-20)27-33-24-14-21(30)22(31)15-25(24)35(27)26(17-6-2-1-3-7-17)28(36)34-23-9-5-4-8-19(23)16-32/h4-5,8-15,17,26H,1-3,6-7H2,(H,34,36)/t26-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide","2017-07-05"],["SLO","2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid","C20 H17 F O4 S","O=S(=O)(c1ccc(cc1)/C=C3c2ccc(F)cc2C(=C3C)CC(=O)O)C;CC1=C(CC(O)=O)c2cc(F)ccc2C1=Cc3ccc(cc3)[S](C)(=O)=O;CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)S(=O)(=O)C)F)CC(=O)O","InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-","sulindac sulfone","2011-05-19","2021-03-01","{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetic acid",""],["9LK","~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide","C17 H14 Cl N3 O3","Cc1oc(c(C)n1)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2;Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl","InChI=1S/C17H14ClN3O3/c1-10-16(23-11(2)20-10)17(22)21-13-5-8-15(19-9-13)24-14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,21,22)","","2017-06-02","2018-06-08","~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide","2018-06-13"],["SLP","3-selanylpropanoic acid","C3 H6 O2 Se","OC(=O)CC[SeH];C(C[SeH])C(=O)O","InChI=1S/C3H6O2Se/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)","","2009-11-10","2011-06-04","3-selanylpropanoic acid",""],["9LL","(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide","C19 H14 F N3 O3 S","C(=O)(C(c1c(ccc(c1)F)O)N3Cc2c(cccc2)C3=O)Nc4nccs4;Oc1ccc(F)cc1[CH](N2Cc3ccccc3C2=O)C(=O)Nc4sccn4;c1ccc2c(c1)CN(C2=O)C(c3cc(ccc3O)F)C(=O)Nc4nccs4","InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)/t16-/m1/s1","","2018-05-24","2018-07-20","(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide","2018-07-25"],["SLQ","(2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol","C24 H29 N7 O","n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc4ccc(c3ncccc3)cc4;CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4","InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1","","2010-02-22","2011-06-04","(2S)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)benzyl]amino}-9H-purin-2-yl]amino}butan-1-ol",""],["SLR","(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline","C10 H17 N O5","O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C;CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O;CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O","InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1","","2008-07-29","2024-09-27","(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline",""],["9LM","2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide","C21 H23 N3 O3 S2","c1(cc2CCN(Cc2n1C(=O)NC(C)C)S(=O)(c3cccs3)=O)c4ccccc4;CC(C)NC(=O)n1c2CN(CCc2cc1c3ccccc3)[S](=O)(=O)c4sccc4;CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4","InChI=1S/C21H23N3O3S2/c1-15(2)22-21(25)24-18(16-7-4-3-5-8-16)13-17-10-11-23(14-19(17)24)29(26,27)20-9-6-12-28-20/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,22,25)","","2017-05-19","2017-06-30","2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide","2017-07-05"],["9LN","1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide","C22 H21 N5 O3","CCN1C(=O)C(=O)Nc2cc(ccc12)C(=O)N(C)Cc3cnn(c3)c4ccccc4;CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4","InChI=1S/C22H21N5O3/c1-3-26-19-10-9-16(11-18(19)24-20(28)22(26)30)21(29)25(2)13-15-12-23-27(14-15)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,24,28)","","2017-06-02","2018-06-08","1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide","2018-06-13"],["SLS","3,4-dihydro-2~{H}-chromene-6-carboxamide","C10 H11 N O2","NC(=O)c1ccc2OCCCc2c1;c1cc2c(cc1C(=O)N)CCCO2","InChI=1S/C10H11NO2/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,11,12)","","2020-03-11","2020-07-17","3,4-dihydro-2~{H}-chromene-6-carboxamide","2020-07-22"],["9LO","4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]benzoic acid","C12 H12 N6 O4","O=C2C(NC(=O)Nc1ccc(C(=O)O)cc1)=C(N=C(N)N2)N;NC1=NC(=C(NC(=O)Nc2ccc(cc2)C(O)=O)C(=O)N1)N;c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N","InChI=1S/C12H12N6O4/c13-8-7(9(19)18-11(14)17-8)16-12(22)15-6-3-1-5(2-4-6)10(20)21/h1-4H,(H,20,21)(H2,15,16,22)(H5,13,14,17,18,19)","","2012-08-13","2014-09-05","4-{[(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)carbamoyl]amino}benzoic acid",""],["SLT","5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULOPYRANONOSYL-(2->3)-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE","C23 H39 N O19","O=C(NC1C(O)CC(OC1C(O)C(O)CO)(OC3C(O)C(OC(OC2C(OC(O)C(O)C2O)CO)C3O)CO)C(=O)O)C;CC(=O)N[CH]1[CH](O)C[C](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)O)CO)CO)O)O","InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1","LACTOSE SIALIC ACID; ALPHA(2,3) SIALYL LACTOSE","2004-01-19","2020-07-17","5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose",""],["9LP","trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate","C27 H30 Cl F2 N3 O5 S","C1CCCCC1C(C(=O)NC2CCC(CC2)OS(=O)(O)=O)n4c(nc3c4cc(c(c3)F)F)c5ccc(cc5)Cl;O[S](=O)(=O)O[CH]1CC[CH](CC1)NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl","InChI=1S/C27H30ClF2N3O5S/c28-18-8-6-17(7-9-18)26-32-23-14-21(29)22(30)15-24(23)33(26)25(16-4-2-1-3-5-16)27(34)31-19-10-12-20(13-11-19)38-39(35,36)37/h6-9,14-16,19-20,25H,1-5,10-13H2,(H,31,34)(H,35,36,37)/t19-,20-,25-/m0/s1","","2017-05-19","2017-06-30","trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate","2017-07-05"],["SLU","5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE","C21 H18 N8 O8 S3","O=S(=O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)NC(=O)c4nc(sc4)c5nc6ccc(O)cc6s5;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4csc(n4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O;c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21-/m1/s1","","2005-09-06","2011-06-04","5'-O-({[2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)adenosine",""],["SLV","~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide","C11 H15 N O2","CCCc1ccc(NC(C)=O)cc1O;CCCc1ccc(cc1O)NC(=O)C","InChI=1S/C11H15NO2/c1-3-4-9-5-6-10(7-11(9)14)12-8(2)13/h5-7,14H,3-4H2,1-2H3,(H,12,13)","","2020-03-11","2020-07-17","~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide","2020-07-22"],["9LQ","[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid","C21 H24 B N3 O4 S","OB(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34;B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O","InChI=1S/C21H24BN3O4S/c26-22(27)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)30(28,29)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-27H,4,11-14,16H2","","2017-06-02","2018-06-08","[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid","2018-06-13"],["9LR","1-methyl-4-(propan-2-ylidene)cyclohex-1-ene","C10 H16","C/C(C)=C1CC=C(C)CC1;CC(C)=C1CCC(=CC1)C;CC1=CCC(=C(C)C)CC1","InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3","","2021-10-20","2022-11-18","1-methyl-4-(propan-2-ylidene)cyclohex-1-ene","2022-11-23"],["SLW","4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide","C25 H25 Cl N2 O2","CC[CH](NC(=O)c1ccc(Cl)cc1)[CH]2[CH]3C[CH](C[CH]23)Oc4ccnc5ccccc45;CCC(C1C2C1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl","InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19-,20+,21-,24+/m1/s1","4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide","2020-11-25","2021-09-24","4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide","2021-09-29"],["9LS","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide","C27 H23 Cl F3 N3 O","n3(C(C(=O)Nc1c(cccc1)F)C2CCCCC2)c5cc(c(cc5nc3c4ccc(cc4)Cl)F)F;Fc1cc2nc(n([CH](C3CCCCC3)C(=O)Nc4ccccc4F)c2cc1F)c5ccc(Cl)cc5;c1ccc(c(c1)NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F","InChI=1S/C27H23ClF3N3O/c28-18-12-10-17(11-13-18)26-32-23-14-20(30)21(31)15-24(23)34(26)25(16-6-2-1-3-7-16)27(35)33-22-9-5-4-8-19(22)29/h4-5,8-16,25H,1-3,6-7H2,(H,33,35)/t25-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide","2017-07-05"],["SLX","(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol","C19 H21 N O4","Oc1c4c(ccc1OC)CC3c2c(cc(OC)c(O)c2)CCN3C4;COc1ccc2C[CH]3N(CCc4cc(OC)c(O)cc34)Cc2c1O;COc1ccc2c(c1O)CN3CCc4cc(c(cc4C3C2)O)OC","InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1","(S)-scoulerine","2009-01-20","2020-06-17","(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol",""],["9LT","1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide","C22 H20 F N5 O3","CCN1C(=O)C(=O)Nc2cc(ccc12)C(=O)N[CH](c3cccc(F)c3)c4nccn4C;CCN1c2ccc(cc2NC(=O)C1=O)C(=O)NC(c3cccc(c3)F)c4nccn4C","InChI=1S/C22H20FN5O3/c1-3-28-17-8-7-14(12-16(17)25-21(30)22(28)31)20(29)26-18(19-24-9-10-27(19)2)13-5-4-6-15(23)11-13/h4-12,18H,3H2,1-2H3,(H,25,30)(H,26,29)/t18-/m1/s1","","2017-06-02","2018-06-08","1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide","2018-06-13"],["SLY","(2-phenoxyphenyl)methanamine","C13 H13 N O","NCc1ccccc1Oc2ccccc2;c1ccc(cc1)Oc2ccccc2CN","InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2","","2020-03-11","2020-07-17","(2-phenoxyphenyl)methanamine","2020-07-22"],["9LU","6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid","C27 H28 N2 O4","C(CCCOc4ccccc4Cn3c(cnc3c2ccc(c1ccco1)cc2)C)CC(=O)O;Cc1cnc(n1Cc2ccccc2OCCCCCC(O)=O)c3ccc(cc3)c4occc4;Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4","InChI=1S/C27H28N2O4/c1-20-18-28-27(22-14-12-21(13-15-22)24-10-7-17-33-24)29(20)19-23-8-4-5-9-25(23)32-16-6-2-3-11-26(30)31/h4-5,7-10,12-15,17-18H,2-3,6,11,16,19H2,1H3,(H,30,31)","","2018-05-29","2019-03-29","6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid","2019-04-03"],["SLZ","L-THIALYSINE","C5 H12 N2 O2 S","O=C(O)C(N)CSCCN;NCCSC[CH](N)C(O)=O;C(CSCC(C(=O)O)N)N","InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","S-(2-aminoethyl)-L-cysteine",""],["9LV","4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid","C26 H22 Br Cl N2 O5 S","C41(C(N(c2c1cc(Br)cc2)Cc3ccc(cc3)C(O)=O)=O)CCN(CC4)S(c5c(cccc5)Cl)(=O)=O;OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)[S](=O)(=O)c4ccccc4Cl)c5cc(Br)ccc25)cc1;c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl","InChI=1S/C26H22BrClN2O5S/c27-19-9-10-22-20(15-19)26(25(33)30(22)16-17-5-7-18(8-6-17)24(31)32)11-13-29(14-12-26)36(34,35)23-4-2-1-3-21(23)28/h1-10,15H,11-14,16H2,(H,31,32)","","2017-05-19","2017-06-30","4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid","2017-07-05"],["SM","SAMARIUM (III) ION","Sm","[Sm+3];[Sm+3];[Sm+3]","InChI=1S/Sm/q+3","","1999-07-08","2011-06-04","samarium(3+)",""],["SM1","N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BENZYL)-L-ALANINAMIDE","C21 H28 N6 O5 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(NC(=[N@H])N)cc1)C)CO)Cc2ccccc2;C[CH](NC(=O)[CH](CO)N[S](=O)(=O)Cc1ccccc1)C(=O)NCc2ccc(NC(N)=N)cc2;[H]N=C(N)Nc1ccc(cc1)CNC(=O)C(C)NC(=O)C(CO)NS(=O)(=O)Cc2ccccc2","InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1","","2004-06-15","2011-06-04","N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidamidobenzyl)-L-alaninamide",""],["9LW","1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one","C23 H28 N4 O3","CCON=Cc1ccc(OCC[CH](C)CCN2C=CN(C2=O)c3ccncc3)cc1;CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3","InChI=1S/C23H28N4O3/c1-3-30-25-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-26-15-16-27(23(26)28)21-8-12-24-13-9-21/h4-9,12-13,15-16,18-19H,3,10-11,14,17H2,1-2H3/b25-18-","","2017-06-02","2017-07-07","1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one","2017-07-12"],["9LX","2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol","C21 H18 F N3 O2","c2(nc1n(cc(cc1)F)c2NCc3ccc(OC)cc3)c4ccccc4O;COc1ccc(CNc2n3cc(F)ccc3nc2c4ccccc4O)cc1;COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O","InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3","","2018-05-29","2019-05-17","2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol","2019-05-22"],["SM2","(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID","C14 H14 B N O5 S","O=C(NC(B(O)O)c1cc(C(=O)O)ccc1)Cc2sccc2;OB(O)[CH](NC(=O)Cc1sccc1)c2cccc(c2)C(O)=O;B(C(c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O","InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1","","2002-10-23","2024-09-27","3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}benzoic acid",""],["SM3","(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID","C13 H14 B N O3 S","O=C(NC(B(O)O)c1ccccc1)Cc2sccc2;OB(O)[CH](NC(=O)Cc1sccc1)c2ccccc2;B(C(c1ccccc1)NC(=O)Cc2cccs2)(O)O","InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1","","2002-10-23","2024-09-27","{(R)-phenyl[(thiophen-2-ylacetyl)amino]methyl}boronic acid",""],["9LY","(2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide","C29 H32 F2 N6 O","c6c3c(n(c(c1ccc(nc1)n2nccc2)n3)C(C4CCCCC4)C(=O)NC5CCCCC5)cc(c6F)F;Fc1cc2nc(n([CH](C3CCCCC3)C(=O)NC4CCCCC4)c2cc1F)c5ccc(nc5)n6cccn6;c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3C(C5CCCCC5)C(=O)NC6CCCCC6)F)F","InChI=1S/C29H32F2N6O/c30-22-16-24-25(17-23(22)31)37(28(35-24)20-12-13-26(32-18-20)36-15-7-14-33-36)27(19-8-3-1-4-9-19)29(38)34-21-10-5-2-6-11-21/h7,12-19,21,27H,1-6,8-11H2,(H,34,38)/t27-/m0/s1","","2017-05-19","2017-06-30","(2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide","2017-07-05"],["9LZ","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","C45 H51 F N8 O18 S2","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)c3ccc(CNC(=O)[CH](C[S](O)(=O)=O)NC(=O)[CH](C[S](O)(=O)=O)NC(=O)c4ccc(F)nc4)cc3)C(O)=O)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)C(CS(=O)(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)c4ccc(nc4)F","InChI=1S/C45H51FN8O18S2/c46-36-16-14-30(22-48-36)39(58)51-35(24-74(70,71)72)42(61)52-34(23-73(67,68)69)41(60)49-21-25-8-12-28(13-9-25)38(57)50-33(20-26-10-11-27-5-1-2-6-29(27)19-26)40(59)47-18-4-3-7-31(43(62)63)53-45(66)54-32(44(64)65)15-17-37(55)56/h1-2,5-6,8-14,16,19,22,31-35H,3-4,7,15,17-18,20-21,23-24H2,(H,47,59)(H,49,60)(H,50,57)(H,51,58)(H,52,61)(H,55,56)(H,62,63)(H,64,65)(H2,53,54,66)(H,67,68,69)(H,70,71,72)/t31-,32-,33-,34+,35-/m0/s1","","2017-06-02","2018-06-08","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","2018-06-13"],["SM4","(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID","C16 H16 B N O5 S","O=C(NC(B(O)O)c1cccc(C=CC(=O)O)c1)Cc2sccc2;OB(O)[CH](NC(=O)Cc1sccc1)c2cccc(C=CC(O)=O)c2;B(C(c1cccc(c1)C=CC(=O)O)NC(=O)Cc2cccs2)(O)O","InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1","(2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID","2006-09-06","2024-09-27","(2E)-3-(3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid",""],["9M0","3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one","C22 H13 F N2 O4 S","c56c(C(c1c(c(nc1c2sccn2)Cc4cc3OCOc3cc4)O5)=O)c(F)ccc6;Fc1cccc2Oc3c(Cc4ccc5OCOc5c4)[nH]c(c6sccn6)c3C(=O)c12;c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2","InChI=1S/C22H13FN2O4S/c23-12-2-1-3-15-17(12)20(26)18-19(22-24-6-7-30-22)25-13(21(18)29-15)8-11-4-5-14-16(9-11)28-10-27-14/h1-7,9,25H,8,10H2","","2018-05-31","2018-09-14","3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one","2018-09-19"],["SM5","(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime","C22 H23 N5 O","n4c(c1ccncc1)c(c3ccc2C(=NO)CCc2c3)cn4C5CCNCC5;ON=C1CCc2cc(ccc12)c3cn(nc3c4ccncc4)C5CCNCC5;c1cc2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CCC2=NO","InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24,28H,2,4,7-8,11-12H2/b26-21+","","2008-06-05","2011-06-04","(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime",""],["9M1","ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate","C24 H24 F2 N2 O3","N3(CC(C(OCC)=O)c2c(c1c(cccc1)n2)C(C)(C3)C)C(c4ccc(c(F)c4)F)=O;CCOC(=O)[CH]1CN(CC(C)(C)c2c1[nH]c3ccccc23)C(=O)c4ccc(F)c(F)c4;CCOC(=O)C1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F","InChI=1S/C24H24F2N2O3/c1-4-31-23(30)16-12-28(22(29)14-9-10-17(25)18(26)11-14)13-24(2,3)20-15-7-5-6-8-19(15)27-21(16)20/h5-11,16,27H,4,12-13H2,1-3H3/t16-/m0/s1","","2017-05-19","2017-06-30","ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate","2017-07-05"],["SM6","ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate","C19 H17 N3 O3 S","O=C(OCC)c2sc1cnccc1c2NC=4C=CC3=C(NO)CC=C3C=4;CCOC(=O)c1sc2cnccc2c1NC3=CC4=CCC(=C4C=C3)NO;CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO","InChI=1S/C19H17N3O3S/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h3-5,7-10,21-22,24H,2,6H2,1H3","","2010-12-07","2011-06-04","ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate",""],["SM7","6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole","C23 H20 N6","N6=NC=5C(C=C4C=5C=CC(c1cn(nc1c2ccncc2)C3CCNCC3)=C4)=C6;C1CC(CCN1)n2cc(C3=CC4=CC5=CN=NC5=C4C=C3)c(n2)c6ccncc6;c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4","InChI=1S/C23H20N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11-14,19,25H,5-6,9-10H2","","2010-12-07","2011-06-04","6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole",""],["9M2","1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","C24 H28 F N5 O","CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4c(C)nn(C)c4C;Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F","InChI=1S/C24H28FN5O/c1-15-19(16(2)30(5)28-15)10-11-31-24-13-18(25)7-8-20(24)17-6-9-22-21(12-17)23(27-26-22)14-29(3)4/h6-9,12-13H,10-11,14H2,1-5H3,(H,26,27)","","2017-06-06","2018-05-11","1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2018-05-16"],["9M3","N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide","C32 H35 N7 O3","c1cc(c(C)c(c1)NC(=O)c2ccc(C(C)(C)C)cc2)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N;Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1c3nc(N)nc(Nc4ccc(cc4)C(=O)N5CCOCC5)n3;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N","InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38)","","2018-05-31","2018-09-21","N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide","2018-09-26"],["SM8","SIMOCYCLINONE D8","C46 H42 Cl N O18","Clc2c(O)ccc1C(O)=C(C(=O)Oc12)NC(=O)C=CC=CC=CC=CC(=O)OC3CC(OC(C)C3OC(=O)C)c8ccc7C(=O)C56OC6(C(O)CC4(O)CC(=CC(=O)C45O)C)C(O)c7c8O;C[CH]1O[CH](C[CH](OC(=O)C=CC=CC=CC=CC(=O)NC2=C(O)c3ccc(O)c(Cl)c3OC2=O)[CH]1OC(C)=O)c4ccc5C(=O)[C]67O[C]6([CH](O)C[C]8(O)CC(=CC(=O)[C]78O)C)[CH](O)c5c4O;CC1C(C(CC(O1)c2ccc3c(c2O)C(C45C(CC6(CC(=CC(=O)C6(C4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C","InChI=1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4+,7-5+,10-8+,11-9+/t21-,27-,28-,30+,38-,41+,43-,44+,45-,46-/m1/s1","","2009-06-19","2011-06-04","(1R)-4-O-acetyl-1,5-anhydro-3-O-{(2E,4E,6E,8E)-10-[(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)amino]-10-oxodeca-2,4,6,8-tetraenoyl}-2,6-dideoxy-1-[(4aR,6S,6aS,7S,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl]-D-arabino-hexitol",""],["SM9","N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide","C31 H43 N5 O4 S","O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(CCN(c3ncnc2c3cccc2)C4)C5;CCOCCN(C[CH](O)CN1CCC[C]2(CCN(C2)c3ncnc4ccccc34)C1)[S](=O)(=O)c5c(C)cccc5C;CCOCCN(CC(CN1CCCC2(C1)CCN(C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C","InChI=1S/C31H43N5O4S/c1-4-40-18-17-36(41(38,39)29-24(2)9-7-10-25(29)3)20-26(37)19-34-15-8-13-31(21-34)14-16-35(22-31)30-27-11-5-6-12-28(27)32-23-33-30/h5-7,9-12,23,26,37H,4,8,13-22H2,1-3H3/t26-,31+/m0/s1","","2011-02-09","2011-06-04","N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide",""],["9M4","N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide","C29 H36 Cl N3 O3","c4c(Cl)ccc(C(=O)N(C(C1CCCCC1)C(=O)NC2CCCCC2)c3cccc(c3)NC(=O)C)c4;CC(=O)Nc1cccc(c1)N([CH](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(Cl)cc4;CC(=O)Nc1cccc(c1)N(C(C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl","InChI=1S/C29H36ClN3O3/c1-20(34)31-25-13-8-14-26(19-25)33(29(36)22-15-17-23(30)18-16-22)27(21-9-4-2-5-10-21)28(35)32-24-11-6-3-7-12-24/h8,13-19,21,24,27H,2-7,9-12H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1","","2017-05-19","2017-06-30","N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide","2017-07-05"],["MJ0","(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide","C29 H37 N5 O6","CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)CCc4ccccc4)C3=O;CNC(=O)C(C(CC1CCNC1=O)NC(=O)C(CC2CC2)N3C=CC=C(C3=O)NC(=O)CCc4ccccc4)O","InChI=1S/C29H37N5O6/c1-30-28(39)25(36)22(17-20-13-14-31-26(20)37)33-27(38)23(16-19-9-10-19)34-15-5-8-21(29(34)40)32-24(35)12-11-18-6-3-2-4-7-18/h2-8,15,19-20,22-23,25,36H,9-14,16-17H2,1H3,(H,30,39)(H,31,37)(H,32,35)(H,33,38)/t20-,22-,23-,25+/m0/s1","(S)-3-((S)-3-cyclopropyl-2-(2-oxo-3-(3-phenylpropanamido)pyridin-1(2H)-yl)propanamido)-N-methyl-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide; RK-90 inhibitor (covalently bound to protein)","2022-07-27","2024-09-27","(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide","2023-08-16"],["9M5","~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide","C27 H33 N5 O2","CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)c4c[nH]cn4;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4","InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m0/s1","","2021-11-19","2024-04-26","~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide","2024-05-01"],["MJ1","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H15 F2 N3 O5","C1(=NC(C(N1CC(O)=O)=O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(F)c2F)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(c(c2F)F)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H15F2N3O5/c1-6(21)13(18)14-19-8(15(25)20(14)5-10(23)24)4-7-2-3-9(22)12(17)11(7)16/h2-4,6,13,21-22H,5,18H2,1H3,(H,23,24)/b8-4-/t6-,13+/m1/s1","","2019-04-02","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-04-08"],["9M6","2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","C27 H29 N O3 S","OCC[S](=O)(=O)c1ccc(cc1)c2ccc(C3CCCC3)c(c2)[CH]4C[CH]4c5ccccn5;c1ccnc(c1)C2CC2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO","InChI=1S/C27H29NO3S/c29-15-16-32(30,31)22-11-8-19(9-12-22)21-10-13-23(20-5-1-2-6-20)24(17-21)25-18-26(25)27-7-3-4-14-28-27/h3-4,7-14,17,20,25-26,29H,1-2,5-6,15-16,18H2/t25-,26-/m0/s1","","2018-06-03","2019-02-22","2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","2019-02-27"],["9M7","N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide","C23 H28 Cl2 N2 O2","N(C(c1c(C)onc1c2ccc(Cl)cc2Cl)=O)(C3CCCCC3)C4CCCCC4;Cc1onc(c2ccc(Cl)cc2Cl)c1C(=O)N(C3CCCCC3)C4CCCCC4;Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4","InChI=1S/C23H28Cl2N2O2/c1-15-21(22(26-29-15)19-13-12-16(24)14-20(19)25)23(28)27(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-14,17-18H,2-11H2,1H3","","2017-05-19","2017-06-30","N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide","2017-07-05"],["MJ2","3,5-dimethylbenzenesulfonamide","C8 H11 N O2 S","Cc1cc(C)cc(c1)[S](N)(=O)=O;Cc1cc(cc(c1)S(=O)(=O)N)C","InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)","","2019-10-15","2020-10-09","3,5-dimethylbenzenesulfonamide","2020-10-14"],["9M8","1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","C25 H30 F N5 O","CN(C)Cc1nn(C)c2ccc(cc12)c3cccc(F)c3OCCc4c(C)nn(C)c4C;Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C","InChI=1S/C25H30FN5O/c1-16-19(17(2)30(5)27-16)12-13-32-25-20(8-7-9-22(25)26)18-10-11-24-21(14-18)23(15-29(3)4)28-31(24)6/h7-11,14H,12-13,15H2,1-6H3","","2017-06-07","2018-05-11","1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2018-05-16"],["MJ3","(2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid","C19 H28 N4 O18 P2","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1O;CC(=O)N[CH]1[CH](O)[CH](O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(OC(C1O)C(=O)O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1","UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid","2023-05-25","2023-09-08","(2S,3S,4R,5S,6R)-4,5-diacetamido-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxyoxane-2-carboxylic acid (non-preferred name)","2023-09-13"],["9M9","7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine","C17 H17 N3 O","NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1;c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN","InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)","","2015-08-21","2015-10-23","7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine","2015-10-28"],["MJ4","(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol","C9 H15 N O S","N(CC(C)O)Cc1ccc(s1)C;C[CH](O)CNCc1sc(C)cc1;Cc1ccc(s1)CNCC(C)O","InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1","","2019-04-04","2020-04-24","(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol","2020-04-29"],["MJ5","5-methyl-2-phenoxyphenol","C13 H12 O2","O(c1ccccc1)c2ccc(cc2O)C;Cc1ccc(Oc2ccccc2)c(O)c1;Cc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3","","2013-05-15","2013-05-31","5-methyl-2-phenoxyphenol","2013-06-05"],["9MA","2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine","C22 H19 F2 N3","N(c3n1c(cccc1C)nc3c2c(F)cccc2F)c4c(C)cccc4C;Cc1cccc2nc(c(Nc3c(C)cccc3C)n12)c4c(F)cccc4F;Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C","InChI=1S/C22H19F2N3/c1-13-7-4-8-14(2)20(13)26-22-21(19-16(23)10-6-11-17(19)24)25-18-12-5-9-15(3)27(18)22/h4-12,26H,1-3H3","","2017-05-19","2017-06-30","2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine","2017-07-05"],["9MB","2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol","C17 H11 F2 N O3","Oc1cc(Oc2cccc(n2)c3cccc(O)c3F)ccc1F;c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F","InChI=1S/C17H11F2NO3/c18-12-8-7-10(9-15(12)22)23-16-6-2-4-13(20-16)11-3-1-5-14(21)17(11)19/h1-9,21-22H","","2017-06-07","2018-06-01","2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol","2018-06-06"],["MJ6","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide","C32 H38 Br F2 N4 O7 P S","CN(C)C(=O)CCN(c1ccc(Br)cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C;CN(C)C(=O)CCN(C(=O)[CH]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc(Br)cc4;CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c2ccc(cc2)Br)NC(=O)c3cc4cc(ccc4s3)C(F)(F)P(=O)(O)O","InChI=1S/C32H38BrF2N4O7PS/c1-31(2,3)27(36-28(41)25-18-19-17-20(8-13-24(19)48-25)32(34,35)47(44,45)46)30(43)39-15-6-7-23(39)29(42)38(16-14-26(40)37(4)5)22-11-9-21(33)10-12-22/h8-13,17-18,23,27H,6-7,14-16H2,1-5H3,(H,36,41)(H2,44,45,46)/t23-,27+/m0/s1","","2022-03-16","2023-02-10","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide","2023-02-15"],["MJ7","5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine","C27 H31 Cl N6 O3 S","C1(OC(C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc5cc(c4ccc(cc4)Cl)ccc5;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCCNCc4cccc(c4)c5ccc(Cl)cc5)[CH](O)[CH]3O;c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C27H31ClN6O3S/c28-20-8-6-18(7-9-20)19-5-3-4-17(12-19)13-30-10-1-2-11-38-14-21-23(35)24(36)27(37-21)34-16-33-22-25(29)31-15-32-26(22)34/h3-9,12,15-16,21,23-24,27,30,35-36H,1-2,10-11,13-14H2,(H2,29,31,32)/t21-,23-,24-,27-/m1/s1","","2019-04-04","2019-04-12","5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine","2019-04-17"],["9MC","2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","C27 H29 N O3 S","OCC[S](=O)(=O)c1ccc(cc1)c2ccc(C3CCCC3)c(c2)[CH]4C[CH]4c5ccccn5;c1ccnc(c1)C2CC2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO","InChI=1S/C27H29NO3S/c29-15-16-32(30,31)22-11-8-19(9-12-22)21-10-13-23(20-5-1-2-6-20)24(17-21)25-18-26(25)27-7-3-4-14-28-27/h3-4,7-14,17,20,25-26,29H,1-2,5-6,15-16,18H2/t25-,26-/m1/s1","","2018-06-03","2019-02-22","2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","2019-02-27"],["MJ8","5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine","C24 H42 N9 O12 P S2","O=S(NCC1C(O)C(O)C(O1)n2cnc3c2ncnc3N)(=O)CC(SCCNC(=O)CCNC(C(O)C(COP(=O)(O)O)(C)C)=O)CN;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS[CH](CN)C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CN)CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C24H42N9O12PS2/c1-24(2,10-44-46(39,40)41)19(37)22(38)28-4-3-15(34)27-5-6-47-13(7-25)9-48(42,43)32-8-14-17(35)18(36)23(45-14)33-12-31-16-20(26)29-11-30-21(16)33/h11-14,17-19,23,32,35-37H,3-10,25H2,1-2H3,(H,27,34)(H,28,38)(H2,26,29,30)(H2,39,40,41)/t13-,14-,17-,18-,19+,23-/m1/s1","","2016-12-20","2024-09-27","5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine","2017-05-10"],["9MD","(2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide","C26 H28 Cl2 F N3 O2","c5c2c(n(c(c1ccc(cc1)Cl)n2)C(C3CCCCO3)C(=O)NC4CCCCC4)cc(Cl)c5F;Fc1cc2nc(n([CH]([CH]3CCCCO3)C(=O)NC4CCCCC4)c2cc1Cl)c5ccc(Cl)cc5;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl","InChI=1S/C26H28Cl2FN3O2/c27-17-11-9-16(10-12-17)25-31-21-15-20(29)19(28)14-22(21)32(25)24(23-8-4-5-13-34-23)26(33)30-18-6-2-1-3-7-18/h9-12,14-15,18,23-24H,1-8,13H2,(H,30,33)/t23-,24-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide","2017-07-05"],["MJA","(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid","C19 H30 O5","O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(O)C12)C)C;C[CH]1C[CH](O)[CH]2[CH](CC[CH](O)C[CH](O)CC(O)=O)[CH](C)C=CC2=C1;CC1CC(C2C(C(C=CC2=C1)C)CCC(CC(CC(=O)O)O)O)O","InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1","Monacolin J acid","2009-06-18","2020-06-17","(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid",""],["9ME","(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone","C16 H10 F N O2","Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2;c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F","InChI=1S/C16H10FNO2/c17-12-7-5-11(9-15(12)19)16(20)14-8-6-10-3-1-2-4-13(10)18-14/h1-9,19H","","2017-06-07","2018-06-01","(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone","2018-06-06"],["9MF","methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate","C20 H21 F N2 O2","COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2;Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F","InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24)","HN37","2023-04-12","2023-11-24","methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate","2023-11-29"],["MJB","2-piperazin-1-ylethanol","C6 H14 N2 O","OCCN1CCNCC1;C1CN(CCN1)CCO","InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2","","2019-10-15","2025-10-30","2-piperazin-1-ylethanol","2020-10-14"],["MJC","dolichyl phosphate mannose","C61 H103 O9 P","C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C61H103O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,56-65H,13-22,24,26,28,30,32,34,36,38,40,42-45H2,1-12H3,(H,66,67)/b47-25+,48-27?,49-29-,50-31?,51-33+,52-35+,53-37+,54-39-,55-41?/t56-,57-,58-,59+,60+,61+/m1/s1","","2016-12-08","2017-08-04","[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{R},14~{E},18~{E},22~{E},30~{Z},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,10,14,18,22,26,30,34,38,42-decaenyl] hydrogen phosphate","2017-08-09"],["9MG","9-METHYLGUANINE","C6 H7 N5 O","n2c1c(ncn1C)c(nc2N)O;Cn1cnc2c(O)nc(N)nc12;Cn1cnc2c1nc(nc2O)N","InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)","","2003-12-19","2011-06-04","2-amino-9-methyl-9H-purin-6-ol",""],["9MH","2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide","C18 H14 F N3 O3","NCC(=O)Nc1ccc2ccc(nc2c1)C(=O)c3ccc(F)c(O)c3;c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN","InChI=1S/C18H14FN3O3/c19-13-5-2-11(7-16(13)23)18(25)14-6-3-10-1-4-12(8-15(10)22-14)21-17(24)9-20/h1-8,23H,9,20H2,(H,21,24)","","2017-06-08","2018-06-01","2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide","2018-06-06"],["MJD","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","C33 H42 F2 N4 O8 S","C12CC3COC1OCC2C3OC(=O)NC(Cc4cc(cc(c4)F)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C;CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC(C)C)oc6c5;CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C","InChI=1S/C33H42F2N4O8S/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)46-32(37-26)36-18(3)4)14-28(40)27(9-19-7-21(34)11-22(35)8-19)38-33(41)47-30-20-10-24-25(30)16-45-31(24)44-15-20/h5-8,11-12,17-18,20,24-25,27-28,30-31,40H,9-10,13-16H2,1-4H3,(H,36,37)(H,38,41)/t20-,24-,25-,27+,28-,30+,31+/m1/s1","","2019-04-04","2020-04-03","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate","2020-04-08"],["MJE","4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid","C20 H12 Cl2 N2 O3 S","Cc1sc2c(c1)n(nc2c3ccc(cc3)C(O)=O)C(=O)c4c(Cl)cccc4Cl;Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O","InChI=1S/C20H12Cl2N2O3S/c1-10-9-15-18(28-10)17(11-5-7-12(8-6-11)20(26)27)23-24(15)19(25)16-13(21)3-2-4-14(16)22/h2-9H,1H3,(H,26,27)","","2019-10-15","2020-02-28","4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid","2020-03-04"],["9MI","1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene","C10 H16","CC(C)C1=CC=C(C)CC1;CC(C)C1=CC=C(C)CC1;CC1=CC=C(CC1)C(C)C","InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3","","2021-10-20","2022-11-18","1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene","2022-11-23"],["9MJ","5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide","C7 H7 N5 O2","O=C(n1nc(nc1N)c2occc2)N;NC(=O)n1nc(nc1N)c2occc2;c1cc(oc1)c2nc(n(n2)C(=O)N)N","InChI=1S/C7H7N5O2/c8-6-10-5(4-2-1-3-14-4)11-12(6)7(9)13/h1-3H,(H2,9,13)(H2,8,10,11)","","2014-12-05","2015-10-09","5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide","2015-10-14"],["MJF","[(1R)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid","C18 H15 Cl O5","O=C(c1ccc(Cl)cc1)CC(c2ccccc2)C(C(=O)O)C(=O)O;OC(=O)C([CH](CC(=O)c1ccc(Cl)cc1)c2ccccc2)C(O)=O;c1ccc(cc1)C(CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O","InChI=1S/C18H15ClO5/c19-13-8-6-12(7-9-13)15(20)10-14(11-4-2-1-3-5-11)16(17(21)22)18(23)24/h1-9,14,16H,10H2,(H,21,22)(H,23,24)/t14-/m0/s1","","2012-05-30","2014-09-05","[(1R)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid","2012-09-28"],["MJG","N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1S)-1,2,2-trimethylpropyl]amino}methyl)benzamide","C32 H41 N5 O4 S2","O=C(Nc3ncc(Sc2cc(C(=O)N1CCN(C(=O)C)CC1)c(OC)cc2C)s3)c4ccc(cc4)CNC(C)C(C)(C)C;COc1cc(C)c(Sc2sc(NC(=O)c3ccc(CN[CH](C)C(C)(C)C)cc3)nc2)cc1C(=O)N4CCN(CC4)C(C)=O;Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC","InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)/t21-/m0/s1","","2010-04-19","2011-06-04","N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)benzamide",""],["9MK","(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone","C17 H12 F N O2","Cc1ccc2nc(ccc2c1)C(=O)c3ccc(F)c(O)c3;Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F","InChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3","","2017-06-08","2018-06-01","(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone","2018-06-06"],["9ML","2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","C27 H31 N O3 S","CCCCCc1ccc(cc1[CH]2C[CH]2c3ccccn3)c4ccc(cc4)[S](=O)(=O)CCO;CCCCCc1ccc(cc1C2CC2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO","InChI=1S/C27H31NO3S/c1-2-3-4-7-21-9-10-22(20-11-13-23(14-12-20)32(30,31)17-16-29)18-24(21)25-19-26(25)27-8-5-6-15-28-27/h5-6,8-15,18,25-26,29H,2-4,7,16-17,19H2,1H3/t25-,26-/m1/s1","","2018-06-03","2019-02-22","2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","2019-02-27"],["MJH","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide","C19 H25 N5 O2","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCCc3c[nH]cn3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCCc3c[nH]cn3)N","InChI=1S/C19H25N5O2/c20-16(11-14-5-2-1-3-6-14)19(26)24-10-4-7-17(24)18(25)22-9-8-15-12-21-13-23-15/h1-3,5-6,12-13,16-17H,4,7-11,20H2,(H,21,23)(H,22,25)/t16-,17+/m1/s1","","2019-10-15","2020-11-13","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide","2020-11-18"],["MJI","1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE","C22 H44 F3 O6 P","FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC;CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC","InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1","MJ33 INHIBITOR","2000-10-17","2020-06-17","(1R)-2-(hexadecyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (R)-phosphate",""],["9MM","4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid","C28 H24 Cl F3 N2 O3","n3(C(C1CCCCC1)COc2c(F)cc(C(O)=O)cc2)c5cc(F)c(cc5nc3c4ccc(cc4)Cl)F;OC(=O)c1ccc(OC[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)c(F)c1;c1cc(ccc1c2nc3cc(c(cc3n2C(COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl","InChI=1S/C28H24ClF3N2O3/c29-19-9-6-17(7-10-19)27-33-23-13-20(30)21(31)14-24(23)34(27)25(16-4-2-1-3-5-16)15-37-26-11-8-18(28(35)36)12-22(26)32/h6-14,16,25H,1-5,15H2,(H,35,36)/t25-/m1/s1","","2017-05-19","2017-06-30","4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid","2017-07-05"],["9MN","(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid","C12 H23 Br N2 O3","N[CH](CCCCNC(=O)CCCCCBr)C(O)=O;C(CCC(=O)NCCCCC(C(=O)O)N)CCBr","InChI=1S/C12H23BrN2O3/c13-8-4-1-2-7-11(16)15-9-5-3-6-10(14)12(17)18/h10H,1-9,14H2,(H,15,16)(H,17,18)/t10-/m0/s1","","2017-06-08","2024-09-27","(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid","2017-10-11"],["MJJ","methyl 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C14 H23 N O10","OC1C(NC(C)=O)C(OC(C1)(C(O)=O)OC)C(C(O)COC(=O)C)O;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)COC(C)=O)C(O)=O;CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)O)OC)O","InChI=1S/C14H23NO10/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)25-12(10)11(20)9(19)5-24-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1","methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid; methyl\n9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosidonic acid","2019-04-08","2020-07-17","methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","2019-06-05"],["9MP","(2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide","C29 H35 F2 N3 O2","c43n(C(C(=O)NC1CCCCC1)C2CCCCC2)c(nc3cc(c(c4)F)F)C(OC)c5ccccc5;CO[CH](c1ccccc1)c2nc3cc(F)c(F)cc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5;COC(c1ccccc1)c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)NC5CCCCC5)F)F","InChI=1S/C29H35F2N3O2/c1-36-27(20-13-7-3-8-14-20)28-33-24-17-22(30)23(31)18-25(24)34(28)26(19-11-5-2-6-12-19)29(35)32-21-15-9-4-10-16-21/h3,7-8,13-14,17-19,21,26-27H,2,4-6,9-12,15-16H2,1H3,(H,32,35)/t26-,27+/m0/s1","","2017-05-19","2017-06-30","(2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide","2017-07-05"],["MJK","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide","C19 H22 Br N3 O2 S","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3sc(Br)cc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(s3)Br)N","InChI=1S/C19H22BrN3O2S/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1","","2019-10-15","2020-11-13","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide","2020-11-18"],["9MQ","{Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid","C30 H36 N6 O6 S","O=C(O)CN(C(=O)C(NS(=O)(=O)c2cc1ccccc1cc2)CC(=O)NCC3CCCN(C(=[N@H])N)C3)Cc4ccccc4;NC(=N)N1CCC[CH](CNC(=O)C[CH](N[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(O)=O)Cc4ccccc4)C1;c1ccc(cc1)CN(CC(=O)O)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C30H36N6O6S/c31-30(32)35-14-6-9-22(19-35)17-33-27(37)16-26(29(40)36(20-28(38)39)18-21-7-2-1-3-8-21)34-43(41,42)25-13-12-23-10-4-5-11-24(23)15-25/h1-5,7-8,10-13,15,22,26,34H,6,9,14,16-20H2,(H3,31,32)(H,33,37)(H,38,39)/t22-,26-/m0/s1","","2012-06-22","2014-09-05","N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-benzylglycine",""],["MJL","(2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid","C19 H28 N4 O18 P2","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1O;CC(=O)N[CH]1[CH](O)[CH](O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(OC(C1O)C(=O)O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1","UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate","2023-05-26","2023-09-08","(2S,3S,4R,5R,6R)-4,5-diacetamido-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxyoxane-2-carboxylic acid (non-preferred name)","2023-09-13"],["MJM","(4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one","C22 H21 N O2","CC1=C(C(=O)[CH]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3;CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4","InChI=1S/C22H21NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t19-/m0/s1","","2016-01-14","2017-07-24","2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydro-4~{a}~{H}-quinolin-4-one","2017-06-14"],["9MR","(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside","C12 H23 N O8","O(C1C(O)CNCC1CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1CNC[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;C1C(C(C(CN1)O)OC2C(C(C(C(O2)CO)O)O)O)CO","InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(16)11(5)21-12-10(19)9(18)8(17)7(4-15)20-12/h5-19H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12+/m1/s1","CELLOBIOSE-LIKE ISOFAGOMINE; (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucoside;\n(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl D-glucoside; (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl\nglucoside","2007-02-26","2020-07-17","(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside",""],["9MS","(2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide","C29 H35 Cl F N3 O2","c43n(C(C(=O)NC1CCCCC1)C2CCCCC2)c(nc3ccc(c4)F)COc5ccc(cc5C)Cl;Cc1cc(Cl)ccc1OCc2nc3ccc(F)cc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5;Cc1cc(ccc1OCc2nc3ccc(cc3n2C(C4CCCCC4)C(=O)NC5CCCCC5)F)Cl","InChI=1S/C29H35ClFN3O2/c1-19-16-21(30)12-15-26(19)36-18-27-33-24-14-13-22(31)17-25(24)34(27)28(20-8-4-2-5-9-20)29(35)32-23-10-6-3-7-11-23/h12-17,20,23,28H,2-11,18H2,1H3,(H,32,35)/t28-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide","2017-07-05"],["MJN","N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide","C33 H35 N5 O4","O=C(Cc1ccc2NC(=O)C=C(C)c2c1)N1CCC(CC(NC(=O)c2ccc(cn2)c2ccccc2)C(=O)NC)CC1;CNC(=O)[CH](CC1CCN(CC1)C(=O)Cc2ccc3NC(=O)C=C(C)c3c2)NC(=O)c4ccc(cn4)c5ccccc5;CC1=CC(=O)Nc2c1cc(cc2)CC(=O)N3CCC(CC3)CC(C(=O)NC)NC(=O)c4ccc(cn4)c5ccccc5","InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1","","2022-03-16","2022-06-03","N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide","2022-06-08"],["MJO","N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide","C19 H21 N O5","C[CH]1O[CH](NC(=O)c2cccc(c2)c3ccccc3)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)NC(=O)c2cccc(c2)c3ccccc3)O)O)O","InChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1","~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide","2022-07-27","2023-09-23","~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide","2022-11-02"],["9MT","3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE","C18 H22 N2 O S","N#CCCSc1c2cc(OC)ccc2nc(c1CCCC)C;CCCCc1c(C)nc2ccc(OC)cc2c1SCCC#N;CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C","InChI=1S/C18H22N2OS/c1-4-5-7-15-13(2)20-17-9-8-14(21-3)12-16(17)18(15)22-11-6-10-19/h8-9,12H,4-7,11H2,1-3H3","","2011-11-24","2014-09-05","3-[(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanyl]propanenitrile",""],["9MU","(R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE","C26 H31 N5 O3 S","O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NCC3CCCN(C(=[N@H])N)C3)Cc4ccccc4;NC(=N)N1CCC[CH](CNC(=O)[CH](Cc2ccccc2)N[S](=O)(=O)c3ccc4ccccc4c3)C1;c1ccc(cc1)CC(C(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C26H31N5O3S/c27-26(28)31-14-6-9-20(18-31)17-29-25(32)24(15-19-7-2-1-3-8-19)30-35(33,34)23-13-12-21-10-4-5-11-22(21)16-23/h1-5,7-8,10-13,16,20,24,30H,6,9,14-15,17-18H2,(H3,27,28)(H,29,32)/t20-,24+/m0/s1","","2012-06-22","2014-09-05","N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-Nalpha-(naphthalen-2-ylsulfonyl)-D-phenylalaninamide",""],["MJP","2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide","C17 H14 N4 O2","O=C(Nc3ccc(Oc1cc2c(cc1)ncc2C#N)cc3)CN;NCC(=O)Nc1ccc(Oc2ccc3[nH]cc(C#N)c3c2)cc1;c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N","InChI=1S/C17H14N4O2/c18-8-11-10-20-16-6-5-14(7-15(11)16)23-13-3-1-12(2-4-13)21-17(22)9-19/h1-7,10,20H,9,19H2,(H,21,22)","","2015-02-27","2015-04-17","N-{4-[(3-cyano-1H-indol-5-yl)oxy]phenyl}glycinamide","2015-04-22"],["MJQ","N-(3-azanylpropyl)-N-[(1R)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide","C31 H33 Cl N2 O3","O=C(c1ccc(cc1)C)N(CCCN)C(C=3Oc2cc(Cl)ccc2C(=O)C=3Cc4ccccc4)C(C)C;CC(C)[CH](N(CCCN)C(=O)c1ccc(C)cc1)C2=C(Cc3ccccc3)C(=O)c4ccc(Cl)cc4O2;Cc1ccc(cc1)C(=O)N(CCCN)C(C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C","InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1","","2013-07-15","2014-09-14","N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide","2013-07-31"],["9MV","4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid","C24 H21 Br N2 O5 S2","C13(CCN(CC1)S(c2cccs2)(=O)=O)C(N(c4c3cc(Br)cc4)Cc5ccc(cc5)C(=O)O)=O;OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)[S](=O)(=O)c4sccc4)c5cc(Br)ccc25)cc1;c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br","InChI=1S/C24H21BrN2O5S2/c25-18-7-8-20-19(14-18)24(9-11-26(12-10-24)34(31,32)21-2-1-13-33-21)23(30)27(20)15-16-3-5-17(6-4-16)22(28)29/h1-8,13-14H,9-12,15H2,(H,28,29)","","2017-05-19","2017-06-30","4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid","2017-07-05"],["9MW","methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate","C43 H58 N6 O6","O=C(NC/C=C)C(NC(=O)C(O)(Cc1ccc(cc1)C/C=C)CCCN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ccncc2)cc3)C(C)C;COC(=O)N[CH](C(=O)NN(CCC[C](O)(Cc1ccc(CC=C)cc1)C(=O)N[CH](C(C)C)C(=O)NCC=C)Cc2ccc(cc2)c3ccncc3)C(C)(C)C;CC(C)C(C(=O)NCC=C)NC(=O)C(CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O","InChI=1S/C43H58N6O6/c1-9-12-31-13-15-32(16-14-31)28-43(54,40(52)46-36(30(3)4)38(50)45-24-10-2)23-11-27-49(48-39(51)37(42(5,6)7)47-41(53)55-8)29-33-17-19-34(20-18-33)35-21-25-44-26-22-35/h9-10,13-22,25-26,30,36-37,54H,1-2,11-12,23-24,27-29H2,3-8H3,(H,45,50)(H,46,52)(H,47,53)(H,48,51)/t36-,37+,43+/m0/s1","","2014-01-31","2014-12-05","methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate","2014-12-10"],["MJR","2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide","C12 H12 Cl N3 O","O=C(Nc1c[NH]nc1C)Cc1cccc(Cl)c1;Cc1n[nH]cc1NC(=O)Cc2cccc(Cl)c2;Cc1c(c[nH]n1)NC(=O)Cc2cccc(c2)Cl","InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide","2023-11-08"],["9MX","(R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid","C28 H38 N6 O6 S","O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)CC(=O)NCC4CCCN(C(=[N@H])N)C4;C[CH]1CCN([CH](C1)C(O)=O)C(=O)[CH](CC(=O)NC[CH]2CCCN(C2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3;CC1CCN(C(C1)C(=O)O)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C28H38N6O6S/c1-18-10-12-34(24(13-18)27(37)38)26(36)23(15-25(35)31-16-19-5-4-11-33(17-19)28(29)30)32-41(39,40)22-9-8-20-6-2-3-7-21(20)14-22/h2-3,6-9,14,18-19,23-24,32H,4-5,10-13,15-17H2,1H3,(H3,29,30)(H,31,35)(H,37,38)/t18-,19+,23+,24-/m1/s1","","2012-06-24","2012-08-10","(2R,4R)-1-[N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl]-4-methylpiperidine-2-carboxylic acid",""],["MJS","(5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium","C6 H18 B N2 O2","OB(OC)C(N)CCCC[NH3+];COB(O)[CH](N)CCCC[NH3+];B(C(CCCC[NH3+])N)(O)OC","InChI=1S/C6H17BN2O2/c1-11-7(10)6(9)4-2-3-5-8/h6,10H,2-5,8-9H2,1H3/p+1/t6-/m0/s1","","2009-04-13","2012-01-13","(5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium",""],["9MY","(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide","C29 H35 F2 N3 O3","n3(C(C(=O)NC1CCC(CC1)O)C2CCCCC2)c5cc(c(cc5nc3C(c4ccccc4)OC)F)F;CO[CH](c1ccccc1)c2nc3cc(F)c(F)cc3n2[CH](C4CCCCC4)C(=O)N[CH]5CC[CH](O)CC5;COC(c1ccccc1)c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F","InChI=1S/C29H35F2N3O3/c1-37-27(19-10-6-3-7-11-19)28-33-24-16-22(30)23(31)17-25(24)34(28)26(18-8-4-2-5-9-18)29(36)32-20-12-14-21(35)15-13-20/h3,6-7,10-11,16-18,20-21,26-27,35H,2,4-5,8-9,12-15H2,1H3,(H,32,36)/t20-,21-,26-,27+/m0/s1","","2017-05-19","2017-06-30","(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide","2017-07-05"],["MJT","anthracene-9-sulfonamide","C14 H11 N O2 S","N[S](=O)(=O)c1c2ccccc2cc3ccccc13;c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N","InChI=1S/C14H11NO2S/c15-18(16,17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H2,15,16,17)","","2019-10-16","2020-10-09","anthracene-9-sulfonamide","2020-10-14"],["MJU","(3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine","C21 H18 N8 S","n2c(nc(c3c1ccccc1nc23)N4CCC(N)C4)Sc5cc6nccnc6nc5;N[CH]1CCN(C1)c2nc(Sc3cnc4nccnc4c3)nc5[nH]c6ccccc6c25;c1ccc2c(c1)c3c([nH]2)nc(nc3N4CCC(C4)N)Sc5cc6c(nccn6)nc5","InChI=1S/C21H18N8S/c22-12-5-8-29(11-12)20-17-14-3-1-2-4-15(14)26-19(17)27-21(28-20)30-13-9-16-18(25-10-13)24-7-6-23-16/h1-4,6-7,9-10,12H,5,8,11,22H2,(H,26,27,28)/t12-/m0/s1","","2013-05-23","2014-01-10","(3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine","2014-01-15"],["9MZ","2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide","C19 H15 F3 N4 O3 S","O=C1N=C(SC1CC(=O)Nc2cc(ccc2)C(F)(F)F)N/N=C/c3ccccc3O;Oc1ccccc1C=NNC2=NC(=O)[CH](CC(=O)Nc3cccc(c3)C(F)(F)F)S2;c1ccc(c(c1)C=NNC2=NC(=O)C(S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O","InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-5-3-6-13(8-12)24-16(28)9-15-17(29)25-18(30-15)26-23-10-11-4-1-2-7-14(11)27/h1-8,10,15,27H,9H2,(H,24,28)(H,25,26,29)/b23-10+/t15-/m0/s1","","2012-11-06","2012-11-09","2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide","2012-11-09"],["9N0","2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","C26 H29 N O3 S","CC(C)(C)c1cc(cc(c1)c2ccc(cc2)[S](=O)(=O)CCO)[CH]3C[CH]3c4ccccn4;CC(C)(C)c1cc(cc(c1)C2CC2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO","InChI=1S/C26H29NO3S/c1-26(2,3)21-15-19(18-7-9-22(10-8-18)31(29,30)13-12-28)14-20(16-21)23-17-24(23)25-6-4-5-11-27-25/h4-11,14-16,23-24,28H,12-13,17H2,1-3H3/t23-,24-/m0/s1","","2018-06-03","2019-02-22","2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","2019-02-27"],["MJV","N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide","C21 H22 Cl F N4 O2","c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl;Fc1ccc(cc1)C(=O)NCCN2CCC(CC2)N3C(=O)Nc4cc(Cl)ccc34;c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F","InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)","Halopemide","2019-04-08","2020-06-17","N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide","2020-02-19"],["MJW","2-phenylmethoxyaniline","C13 H13 N O","Nc1ccccc1OCc2ccccc2;c1ccc(cc1)COc2ccccc2N","InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2","","2019-10-16","2020-08-14","2-phenylmethoxyaniline","2020-08-19"],["9N1","(2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide","C29 H37 N3 O3","n3c5c(n(C(C(=O)NC1CCCCC1)C2CCCCC2)c3c4ccc(OC)cc4OC)cccc5;COc1ccc(c(OC)c1)c2nc3ccccc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5;COc1ccc(c(c1)OC)c2nc3ccccc3n2C(C4CCCCC4)C(=O)NC5CCCCC5","InChI=1S/C29H37N3O3/c1-34-22-17-18-23(26(19-22)35-2)28-31-24-15-9-10-16-25(24)32(28)27(20-11-5-3-6-12-20)29(33)30-21-13-7-4-8-14-21/h9-10,15-21,27H,3-8,11-14H2,1-2H3,(H,30,33)/t27-/m0/s1","","2017-05-19","2017-06-30","(2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide","2017-07-05"],["9N2","2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile","C17 H9 F N2 O2","Oc1cc(ccc1F)C(=O)c2ccc3ccc(cc3n2)C#N;c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N","InChI=1S/C17H9FN2O2/c18-13-5-3-12(8-16(13)21)17(22)14-6-4-11-2-1-10(9-19)7-15(11)20-14/h1-8,21H","","2017-06-08","2018-06-01","2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile","2018-06-06"],["MJX","{4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid","C18 H27 N5 O2","N=C(N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(=O)O)CC1;NC(=N)c1ccc(cc1)N2CCN(CC2)C3CCN(CC3)CC(O)=O;c1cc(ccc1C(=N)N)N2CCN(CC2)C3CCN(CC3)CC(=O)O","InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25)","","2022-03-16","2022-08-12","{4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid","2022-08-17"],["MJY","4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide","C23 H26 Br F N4 O2","C4N(CC(C)NC(c1ccc(cc1)Br)=O)CCC3(C(NCN3c2cccc(c2)F)=O)C4;C[CH](CN1CCC2(CC1)N(CNC2=O)c3cccc(F)c3)NC(=O)c4ccc(Br)cc4;CC(CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br","InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1","","2019-04-08","2020-02-14","4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide","2020-02-19"],["9N3","2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol","C25 H29 N O3 S","CC(C)(C)c1cc(CCc2ccccn2)cc(c1)c3ccc(cc3)[S](=O)(=O)CCO;CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3","InChI=1S/C25H29NO3S/c1-25(2,3)22-17-19(7-10-23-6-4-5-13-26-23)16-21(18-22)20-8-11-24(12-9-20)30(28,29)15-14-27/h4-6,8-9,11-13,16-18,27H,7,10,14-15H2,1-3H3","","2018-06-03","2019-02-22","2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol","2019-02-27"],["9N4","(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide","C31 H35 N3 O3","n3c5c(n(C(C(=O)Nc1c(C)cccc1C)C2CCCCC2)c3c4ccc(cc4OC)OC)cccc5;COc1ccc(c(OC)c1)c2nc3ccccc3n2[CH](C4CCCCC4)C(=O)Nc5c(C)cccc5C;Cc1cccc(c1NC(=O)C(C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C","InChI=1S/C31H35N3O3/c1-20-11-10-12-21(2)28(20)33-31(35)29(22-13-6-5-7-14-22)34-26-16-9-8-15-25(26)32-30(34)24-18-17-23(36-3)19-27(24)37-4/h8-12,15-19,22,29H,5-7,13-14H2,1-4H3,(H,33,35)/t29-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide","2017-07-05"],["MJZ","(2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid","C17 H26 N4 O17 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(N)C3NC(=O)C)O)O;CC(=O)N[CH]1[CH](N)[CH](O)[CH](O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N","InChI=1S/C17H26N4O17P2/c1-5(22)19-9-8(18)11(25)13(15(27)28)36-16(9)37-40(32,33)38-39(30,31)34-4-6-10(24)12(26)14(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-14,16,24-26H,4,18H2,1H3,(H,19,22)(H,27,28)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1","","2010-04-29","2011-06-04","(2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["9N5","(2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide","C19 H21 N3 O4","CON=CC(C)(C)NC(=O)[CH](OC)Oc1ccc2ncc(cc2c1)C#C;CC(C)(C=NOC)NC(=O)C(OC)Oc1ccc2c(c1)cc(cn2)C#C","InChI=1S/C19H21N3O4/c1-6-13-9-14-10-15(7-8-16(14)20-11-13)26-18(24-4)17(23)22-19(2,3)12-21-25-5/h1,7-12,18H,2-5H3,(H,22,23)/b21-12+/t18-/m1/s1","","2017-06-08","2017-06-30","(2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide","2017-07-05"],["MK0","1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose","C38 H77 O9 P","O=P(O)(OC1OC(C(O)C(O)C1O)CO)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC;CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C38H77O9P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-45-48(43,44)47-38-37(42)36(41)35(40)34(28-39)46-38/h29-42H,7-28H2,1-6H3,(H,43,44)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38-/m0/s1","","2010-09-17","2011-06-04","1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose",""],["9N6","N-ethyl-5-fluoro-2-{[5-(2-{(3R)-6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl}-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]oxy}-N-(propan-2-yl)benzamide","C32 H50 F N7 O3","CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(CN(C2)C(CCCN(C)CCOC)C(C)C)C1;CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2nncnc2N3CCC4(CN(C4)[CH](CCCN(C)CCOC)C(C)C)C3;CCN(C(C)C)C(=O)c1cc(ccc1Oc2c(ncnn2)N3CCC4(C3)CN(C4)C(CCCN(C)CCOC)C(C)C)F","InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1","","2023-07-14","2025-11-21","N-ethyl-5-fluoro-2-{[5-(2-{(3R)-6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl}-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]oxy}-N-(propan-2-yl)benzamide","2025-11-26"],["MK1","N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY\nBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE","C36 H47 N5 O4","O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5;CC(C)(C)NC(=O)[CH]1CN(CCN1C[CH](O)C[CH](Cc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)Cc5cccnc5;CC(C)(C)NC(=O)C1CN(CCN1CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4CC3O)O)Cc5cccnc5","InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1","INDINAVIR","1999-07-08","2020-06-17","(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name)",""],["9N7","4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid","C31 H26 F2 N4 O3 S","n1(c4cc(F)c(cc4nc1c2ccc(cc2)c3nccs3)F)C(C(=O)Nc5ccc(cc5)C(O)=O)C6CCCCC6;OC(=O)c1ccc(NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(cc5)c6sccn6)cc1;c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6","InChI=1S/C31H26F2N4O3S/c32-23-16-25-26(17-24(23)33)37(28(36-25)19-6-8-20(9-7-19)30-34-14-15-41-30)27(18-4-2-1-3-5-18)29(38)35-22-12-10-21(11-13-22)31(39)40/h6-18,27H,1-5H2,(H,35,38)(H,39,40)/t27-/m0/s1","","2017-05-19","2017-06-30","4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid","2017-07-05"],["MK2","N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine","C19 H14 N6 O","n1ccc(nc1N)Nc4cc(c3oc2ccccc2c3)c5c(c4)cnn5;Nc1nccc(Nc2cc3cn[nH]c3c(c2)c4oc5ccccc5c4)n1;c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N","InChI=1S/C19H14N6O/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24)","N4-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine","2009-10-22","2021-03-13","N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine",""],["9N8","4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide","C17 H11 Br F N3 O2","Fc1cccc(Br)c1C(=O)c2c[nH]c(c2)C(=O)Nc3cccnc3;c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F","InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24)","","2017-06-09","2018-06-15","4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide","2018-06-20"],["MK3","6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide","C20 H15 N5 O2 S","Nc1nccc(Nc2ccc(O)c(c2)c3ccc4cc(sc4c3)C(=O)N=C)n1;C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N","InChI=1S/C20H15N5O2S/c1-22-19(27)17-9-12-3-2-11(8-16(12)28-17)14-10-13(4-5-15(14)26)24-18-6-7-23-20(21)25-18/h2-10,26H,1H2,(H3,21,23,24,25)","6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide","2009-10-21","2020-06-17","6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methylidene-1-benzothiophene-2-carboxamide",""],["9N9","(E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one","C27 H36 O3","C2(C1CCC(C(C(=O)C#C[C@H]=CC)C)C1(CCC2)C)=C/C=C3CC(/C(C(C3)O)=C)O;CC=CC#CC(=O)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC=CC#CC(=O)C(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C27H36O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-6,11-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1","","2018-06-05","2018-07-13","(2S,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-6-en-4-yn-3-one","2018-07-18"],["MK4","{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid","C16 H11 Br3 Cl N O4","Brc1cc(Br)cc(Br)c1CNC(=O)c2ccc(Cl)cc2OCC(=O)O;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(Br)cc(Br)cc2Br;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br","InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)","","2015-01-14","2016-07-22","{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid","2016-07-27"],["9NA","(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide","C28 H34 F2 N4 O4","n3c5c(n(C(C(=O)NC1CCC(CC1)O)C2CCCCC2)c3c4ccc(nc4OC)OC)cc(c(c5)F)F;COc1ccc(c(OC)n1)c2nc3cc(F)c(F)cc3n2[CH](C4CCCCC4)C(=O)N[CH]5CC[CH](O)CC5;COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F","InChI=1S/C28H34F2N4O4/c1-37-24-13-12-19(28(33-24)38-2)26-32-22-14-20(29)21(30)15-23(22)34(26)25(16-6-4-3-5-7-16)27(36)31-17-8-10-18(35)11-9-17/h12-18,25,35H,3-11H2,1-2H3,(H,31,36)/t17-,18-,25-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide","2017-07-05"],["MK5","2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate","C27 H37 Cl2 N3 O7 S","O=S(=O)(N(CC(C)CC)CC(O)C(NC(=O)OCCNC(=O)C(Cl)Cl)Cc1ccccc1)c2ccc(OC)cc2;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)[S](=O)(=O)c2ccc(OC)cc2;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC","InChI=1S/C27H37Cl2N3O7S/c1-4-19(2)17-32(40(36,37)22-12-10-21(38-3)11-13-22)18-24(33)23(16-20-8-6-5-7-9-20)31-27(35)39-15-14-30-26(34)25(28)29/h5-13,19,23-25,33H,4,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,23-,24+/m0/s1","","2012-02-03","2012-07-27","2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate",""],["MK6","(5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid","C29 H31 N O6 S","O=C(O)C1C2C1Cc3c2cnc(c3)OCc4cc(ccc4)c5c(cc(OCCCS(=O)(C)=O)cc5C)C;Cc1cc(OCCC[S](C)(=O)=O)cc(C)c1c2cccc(COc3cc4C[CH]5[CH]([CH]5c4cn3)C(O)=O)c2;Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)C5C(C4)C5C(=O)O)C)OCCCS(=O)(=O)C","InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m1/s1","","2016-11-22","2017-06-02","(5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid","2017-06-07"],["9NB","~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide","C10 H11 N O2 S","CC(=O)c1ccc(NC(=O)CS)cc1;CC(=O)c1ccc(cc1)NC(=O)CS","InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)","","2017-06-09","2018-01-26","~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide","2018-01-31"],["9ND","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide","C27 H24 Cl F2 N3 O","n3(C(C(=O)Nc1ccccc1)C2CCCCC2)c5cc(c(F)cc5nc3c4ccc(cc4)Cl)F;Fc1cc2nc(n([CH](C3CCCCC3)C(=O)Nc4ccccc4)c2cc1F)c5ccc(Cl)cc5;c1ccc(cc1)NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F","InChI=1S/C27H24ClF2N3O/c28-19-13-11-18(12-14-19)26-32-23-15-21(29)22(30)16-24(23)33(26)25(17-7-3-1-4-8-17)27(34)31-20-9-5-2-6-10-20/h2,5-6,9-17,25H,1,3-4,7-8H2,(H,31,34)/t25-/m0/s1","","2017-05-19","2017-06-30","(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide","2017-07-05"],["MK7","(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide","C12 H22 N4 O6 S","O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2;O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NC2CCNCC2;C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2","InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1","MK-7655, bound form","2013-11-27","2024-09-27","(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide","2014-02-19"],["9NE","DANSYL-L-GLUTAMATE","C17 H20 N2 O6 S","O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCC(=O)O;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C17H20N2O6S/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23)/t13-/m0/s1","","2010-10-29","2011-06-04","N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-glutamic acid",""],["MK8","2-methyl-L-norleucine","C7 H15 N O2","O=C(O)C(N)(CCCC)C;CCCC[C](C)(N)C(O)=O;CCCCC(C)(C(=O)O)N","InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1","","2010-04-16","2024-09-27","2-methyl-L-norleucine",""],["9NF","DANSYL-L-PHENYLALANINE","C21 H22 N2 O4 S","O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc3ccccc3;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](Cc3ccccc3)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(Cc3ccccc3)C(=O)O","InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1","","2010-10-28","2011-06-04","N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-phenylalanine",""],["MK9","N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide","C32 H39 Cl2 N7 O4","Clc1c(c(c(cc1OC)OC)Cl)N2C(N(c3c(C2)cnc(NCCCCN(CC)CC)n3)Cc4cc(ccc4)NC(C=C)=O)=O;CCN(CC)CCCCNc1ncc2CN(C(=O)N(Cc3cccc(NC(=O)C=C)c3)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl;CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C","InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38)","","2017-02-15","2019-01-11","N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide","2019-01-16"],["MKA","4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide","C22 H25 F N4 O2","c4ccc3c(N(C2CCN(CC(C)NC(=O)c1ccc(cc1)F)CC2)C(=O)N3)c4;C[CH](CN1CCC(CC1)N2C(=O)Nc3ccccc23)NC(=O)c4ccc(F)cc4;CC(CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F","InChI=1S/C22H25FN4O2/c1-15(24-21(28)16-6-8-17(23)9-7-16)14-26-12-10-18(11-13-26)27-20-5-3-2-4-19(20)25-22(27)29/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)/t15-/m0/s1","","2019-04-08","2020-02-14","4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide","2020-02-19"],["9NG","5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one","C24 H21 Br N6 O3 S2","O=S(=O)(N1CCC2(CC1)c1cc(Br)ccc1N(Cc1ccc(cc1)c1nnn[NH]1)C2=O)c1cccs1;Brc1ccc2N(Cc3ccc(cc3)c4[nH]nnn4)C(=O)C5(CCN(CC5)[S](=O)(=O)c6sccc6)c2c1;c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)c6[nH]nnn6)Br","InChI=1S/C24H21BrN6O3S2/c25-18-7-8-20-19(14-18)24(9-11-30(12-10-24)36(33,34)21-2-1-13-35-21)23(32)31(20)15-16-3-5-17(6-4-16)22-26-28-29-27-22/h1-8,13-14H,9-12,15H2,(H,26,27,28,29)","","2017-05-19","2023-05-25","5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one","2017-07-05"],["9NH","N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide","C31 H29 F4 N7 O3","FC(F)(F)c1cccc(c1F)NC(=O)c2cc(c(cc2)C)NC(=O)c3c(OC)nc(nc3)Nc4ccc(cc4)N5CCNCC5;COc1nc(Nc2ccc(cc2)N3CCNCC3)ncc1C(=O)Nc4cc(ccc4C)C(=O)Nc5cccc(c5F)C(F)(F)F;Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F","InChI=1S/C31H29F4N7O3/c1-18-6-7-19(27(43)39-24-5-3-4-23(26(24)32)31(33,34)35)16-25(18)40-28(44)22-17-37-30(41-29(22)45-2)38-20-8-10-21(11-9-20)42-14-12-36-13-15-42/h3-11,16-17,36H,12-15H2,1-2H3,(H,39,43)(H,40,44)(H,37,38,41)","","2007-10-25","2011-06-04","N-(5-{[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide",""],["MKB","6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one","C20 H18 N4 O5 S","O=C1Nc2ccc(cc2O1)[S](=O)(=O)N3CCN(CC3)C(=O)c4ccc5[nH]ccc5c4;c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5","InChI=1S/C20H18N4O5S/c25-19(14-1-3-16-13(11-14)5-6-21-16)23-7-9-24(10-8-23)30(27,28)15-2-4-17-18(12-15)29-20(26)22-17/h1-6,11-12,21H,7-10H2,(H,22,26)","","2019-10-16","2020-07-24","6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one","2020-07-29"],["9NI","1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene","C10 H16","CC1=CCC(=CC1)C(C)C;CC(C)C1=CCC(=CC1)C;CC1=CCC(=CC1)C(C)C","InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3","","2021-10-20","2022-11-18","1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene","2022-11-23"],["MKC","6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL","C17 H22 N2 O3","O=C1C(=C(N(C(=O)N1)COCC)Cc2ccccc2)C(C)C;CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C;CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2","InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)","","1999-07-08","2011-06-04","6-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione",""],["9NJ","trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid","C29 H35 F N4 O5","n3c5c(n(C(C(=O)NC1CCC(CC1)C(O)=O)C2CCCCC2)c3c4ccc(OC)nc4OC)ccc(c5)F;COc1ccc(c(OC)n1)c2nc3cc(F)ccc3n2[CH](C4CCCCC4)C(=O)N[CH]5CC[CH](CC5)C(O)=O;COc1ccc(c(n1)OC)c2nc3cc(ccc3n2C(C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F","InChI=1S/C29H35FN4O5/c1-38-24-15-13-21(28(33-24)39-2)26-32-22-16-19(30)10-14-23(22)34(26)25(17-6-4-3-5-7-17)27(35)31-20-11-8-18(9-12-20)29(36)37/h10,13-18,20,25H,3-9,11-12H2,1-2H3,(H,31,35)(H,36,37)/t18-,20-,25-/m0/s1","","2017-05-19","2017-06-30","trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid","2017-07-05"],["MKD","(2S)-2-amino-2-methyloctanoic acid","C9 H19 N O2","O=C(O)C(N)(CCCCCC)C;CCCCCC[C](C)(N)C(O)=O;CCCCCCC(C)(C(=O)O)N","InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1","","2013-11-01","2024-09-27","(2S)-2-amino-2-methyloctanoic acid","2014-02-19"],["MKE","(4S)-4-AMINO-5-OXOHEXANOIC ACID","C6 H11 N O3","O=C(C(N)CCC(=O)O)C;CC(=O)[CH](N)CCC(O)=O;CC(=O)C(CCC(=O)O)N","InChI=1S/C6H11NO3/c1-4(8)5(7)2-3-6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1","METHYLKETONE GLUTAMATE","2006-06-14","2024-09-27","(4S)-4-amino-5-oxohexanoic acid",""],["9NK","(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid","C16 H21 N O3 S","OC(=O)[CH]1CCCCN1C(=O)[CH](CS)Cc2ccccc2;c1ccc(cc1)CC(CS)C(=O)N2CCCCC2C(=O)O","InChI=1S/C16H21NO3S/c18-15(17-9-5-4-8-14(17)16(19)20)13(11-21)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,21H,4-5,8-11H2,(H,19,20)/t13-,14-/m1/s1","","2017-06-09","2018-06-15","(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid","2018-06-20"],["9NL","(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid","C9 H8 F2 O3","OC(=O)C(C(c1ccccc1)(F)F)O;O[CH](C(O)=O)C(F)(F)c1ccccc1;c1ccc(cc1)C(C(C(=O)O)O)(F)F","InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1","","2018-06-06","2019-06-14","(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid","2019-06-19"],["MKF","(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid","C6 H12 N2 O4","CN(C)C(=O)OC[CH](N)C(O)=O;CN(C)C(=O)OCC(C(=O)O)N","InChI=1S/C6H12N2O4/c1-8(2)6(11)12-3-4(7)5(9)10/h4H,3,7H2,1-2H3,(H,9,10)/t4-/m0/s1","","2022-07-27","2024-09-27","(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid","2023-02-01"],["23H","N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]acetamide","C28 H33 N7 O3","O=C(Nc1ccc(cc1)N(C(=O)Cn3nnc2ccccc23)C(c4cccn4C)C(=O)NC(C)(C)CC)C;CCC(C)(C)NC(=O)[CH](N(C(=O)Cn1nnc2ccccc12)c3ccc(NC(C)=O)cc3)c4cccn4C;CCC(C)(C)NC(=O)C(c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3","InChI=1S/C28H33N7O3/c1-6-28(3,4)30-27(38)26(24-12-9-17-33(24)5)35(21-15-13-20(14-16-21)29-19(2)36)25(37)18-34-23-11-8-7-10-22(23)31-32-34/h7-17,26H,6,18H2,1-5H3,(H,29,36)(H,30,38)/t26-/m1/s1","","2013-08-26","2013-09-27","N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]acetamide","2013-10-02"],["MKG","4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide","C24 H27 F2 N3 O3","N3(CCC1(OC(=O)NCC1c2cc(ccc2)F)CC3)CC(C)NC(=O)c4ccc(cc4)F;C[CH](CN1CCC2(CC1)OC(=O)NC[CH]2c3cccc(F)c3)NC(=O)c4ccc(F)cc4;CC(CN1CCC2(CC1)C(CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F","InChI=1S/C24H27F2N3O3/c1-16(28-22(30)17-5-7-19(25)8-6-17)15-29-11-9-24(10-12-29)21(14-27-23(31)32-24)18-3-2-4-20(26)13-18/h2-8,13,16,21H,9-12,14-15H2,1H3,(H,27,31)(H,28,30)/t16-,21-/m0/s1","","2019-04-08","2020-02-14","4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide","2020-02-19"],["23I","N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE","C36 H55 N5 O7 S","O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccccc2)C)C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NC(C)C)C(C)C)C)C)C;CC(C)C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](C)c2ccccc2)N(C)[S](C)(=O)=O)[CH](O)C[CH](C)C(=O)N[CH](C(C)C)C(=O)NC(C)C;CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)N(C)S(=O)(=O)C)C(=O)NC(C)c2ccccc2","InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1","","2007-04-13","2011-06-04","N-[(1S,2S,4R)-2-hydroxy-4-methyl-5-({(1S)-2-methyl-1-[(1-methylethyl)carbamoyl]propyl}amino)-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide",""],["MKH","1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione","C24 H27 N3 O5 S","O=S(=O)(N3C(C(O)(c1ccccc1)c2ccccc2)CCC3)CCCN4C=CC(=O)NC4=O;OC([CH]1CCCN1[S](=O)(=O)CCCN2C=CC(=O)NC2=O)(c3ccccc3)c4ccccc4;c1ccc(cc1)C(c2ccccc2)(C3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O","InChI=1S/C24H27N3O5S/c28-22-14-17-26(23(29)25-22)15-8-18-33(31,32)27-16-7-13-21(27)24(30,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14,17,21,30H,7-8,13,15-16,18H2,(H,25,28,29)/t21-/m1/s1","","2010-11-25","2011-06-04","1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione",""],["MKI","2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide","C15 H15 Cl N2 O","Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1;CN(C(=O)Cc1cccc(Cl)c1)c2cnccc2C;Cc1ccncc1N(C)C(=O)Cc2cccc(c2)Cl","InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["23J","oxo(2-sulfanylphenyl)acetic acid","C8 H6 O3 S","O=C(c1ccccc1S)C(=O)O;OC(=O)C(=O)c1ccccc1S;c1ccc(c(c1)C(=O)C(=O)O)S","InChI=1S/C8H6O3S/c9-7(8(10)11)5-3-1-2-4-6(5)12/h1-4,12H,(H,10,11)","","2013-08-26","2014-06-13","oxo(2-sulfanylphenyl)acetic acid","2014-06-18"],["23K","1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea","C27 H38 F N3 O4 S","O=C(NC(C)(C)C)NC(Cc1ccccc1)C(O)CN3CC(Cc2c(ccc(F)c2)S3(=O)=O)C(C)C;CC(C)[CH]1CN(C[CH](O)[CH](Cc2ccccc2)NC(=O)NC(C)(C)C)[S](=O)(=O)c3ccc(F)cc3C1;CC(C)C1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)NC(C)(C)C)O)F","InChI=1S/C27H38FN3O4S/c1-18(2)21-14-20-15-22(28)11-12-25(20)36(34,35)31(16-21)17-24(32)23(13-19-9-7-6-8-10-19)29-26(33)30-27(3,4)5/h6-12,15,18,21,23-24,32H,13-14,16-17H2,1-5H3,(H2,29,30,33)/t21-,23-,24+/m0/s1","","2013-08-26","2014-03-28","1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea","2014-04-02"],["MKK","1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE","C27 H33 F N4 O2","Fc1ccc(cc1N4N=C(C(=O)C)C(c2ccccc2)(CCCN3CCN(C(=O)C)CC3)C4)C;CC(=O)N1CCN(CCC[C]2(CN(N=C2C(C)=O)c3cc(C)ccc3F)c4ccccc4)CC1;Cc1ccc(c(c1)N2CC(C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F","InChI=1S/C27H33FN4O2/c1-20-10-11-24(28)25(18-20)32-19-27(26(29-32)21(2)33,23-8-5-4-6-9-23)12-7-13-30-14-16-31(17-15-30)22(3)34/h4-6,8-11,18H,7,12-17,19H2,1-3H3/t27-/m0/s1","","2007-06-01","2011-06-04","1-[(4R)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]ethanone",""],["23L","(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C27 H35 F N2 O6 S","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN4CC(Cc3c(ccc(F)c3)S4(=O)=O)C(C)C;CC(C)[CH]1CN(C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CCOC3)[S](=O)(=O)c4ccc(F)cc4C1;CC(C)C1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)OC4CCOC4)O)F","InChI=1S/C27H35FN2O6S/c1-18(2)21-13-20-14-22(28)8-9-26(20)37(33,34)30(15-21)16-25(31)24(12-19-6-4-3-5-7-19)29-27(32)36-23-10-11-35-17-23/h3-9,14,18,21,23-25,31H,10-13,15-17H2,1-2H3,(H,29,32)/t21-,23-,24-,25+/m0/s1","","2013-08-26","2014-03-28","(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","2014-04-02"],["MKM","3beta-(2-Diethylaminoethoxy)androst-5-en-17-one","C25 H41 N O2","N(CCOC2CCC3(C1CCC4(C(C1CC=C3C2)CCC4=O)C)C)(CC)CC;CCN(CC)CCO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CCC4=O)[CH]3CC=C2C1;CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C","InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1","","2019-04-08","2019-06-14","(3alpha,8alpha,14beta)-3-[2-(diethylamino)ethoxy]androst-5-en-17-one","2019-06-19"],["23M","2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE","C16 H15 N3","[N@H]=C(c1cc2c(cc1)nc(c2)c3cccc(c3)C)N;Cc1cccc(c1)c2[nH]c3ccc(cc3c2)C(N)=N;[H]N=C(c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)N","InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18)","","2006-03-16","2011-06-04","2-(3-methylphenyl)-1H-indole-5-carboximidamide",""],["MKN","3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole","C11 H8 N2 S2","[nH]1ccc(n1)c2sc(cc2)c3sccc3;c1cc(sc1)c2ccc(s2)c3cc[nH]n3","InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)","","2019-10-17","2020-08-14","3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole","2020-08-19"],["MKO","8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]","C12 H10 O8 V","Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12;Cc1c2c(cc[o+]1)O[V]3(O2)(Oc4cc[o+]c(c4O3)C)([O-])[O-]","InChI=1S/2C6H6O3.2O.V/c2*1-4-6(8)5(7)2-3-9-4;;;/h2*2-3H,1H3,(H-,7,8);;;/q;;2*-1;+4/p-2","","2022-07-27","2023-09-23","2,2'-dimethyl-8,8-bis(oxidanidyl)-8,8'-spirobi[7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]","2022-11-23"],["23N","(2R)-2-benzyl-3-nitropropanoic acid","C10 H11 N O4","[O-][N+](=O)CC(C(=O)O)Cc1ccccc1;OC(=O)[CH](Cc1ccccc1)C[N+]([O-])=O;c1ccc(cc1)CC(C[N+](=O)[O-])C(=O)O","InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1","","2007-10-03","2011-06-04","(2R)-2-benzyl-3-nitropropanoic acid",""],["MKP","3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide","C21 H21 N5 O3","c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O;Cc1ccc(cc1c2cnc3N(C(=O)Nc3c2)C(C)(C)C)C(=O)Nc4ccon4;Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4","InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27)","","2019-04-08","2019-11-15","3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide","2019-11-20"],["23P","3-(propanoylamino)-L-alanine","C6 H12 N2 O3","O=C(NCC(N)C(=O)O)CC;CCC(=O)NC[CH](N)C(O)=O;CCC(=O)NCC(C(=O)O)N","InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1","","2012-12-12","2024-09-27","3-(propanoylamino)-L-alanine","2013-08-14"],["MKQ","3,5-diphenylbenzenesulfonamide","C18 H15 N O2 S","N[S](=O)(=O)c1cc(cc(c1)c2ccccc2)c3ccccc3;c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3","InChI=1S/C18H15NO2S/c19-22(20,21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,(H2,19,20,21)","","2019-10-17","2020-10-09","3,5-diphenylbenzenesulfonamide","2020-10-14"],["23Q","(2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine","C22 H27 F N2 O2","COc1cc2CCN3C[CH]([CH](N)C[CH]3c2cc1OC)c4cccc(CF)c4;COc1cc2c(cc1OC)C3CC(C(CN3CC2)c4cccc(c4)CF)N","InChI=1S/C22H27FN2O2/c1-26-21-9-16-6-7-25-13-18(15-5-3-4-14(8-15)12-23)19(24)11-20(25)17(16)10-22(21)27-2/h3-5,8-10,18-20H,6-7,11-13,24H2,1-2H3/t18-,19+,20+/m1/s1","","2009-12-14","2011-06-04","(2S,3S,5R,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine",""],["MKR","1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE","C27 H31 F N4 O3","O=C(N1CCN(CC1)CCCC3(C(=NN2c4c(OCC23)ccc(F)c4)C(=O)C)c5ccccc5)C;CC(=O)N1CCN(CCC[C]2([CH]3COc4ccc(F)cc4N3N=C2C(C)=O)c5ccccc5)CC1;CC(=O)C1=NN2c3cc(ccc3OCC2C1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F","InChI=1S/C27H31FN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1","","2007-05-31","2011-06-04","1-{(3R,3aR)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone",""],["23R","(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol","C29 H46 O4","OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)C(C)C(O)C2)CCCC34C)(C)C;C[CH]1[CH](O)CC(=CC=C2CCC[C]3(C)[CH]2CC[CH]3[C]4(C)C[CH](CO4)CC(C)(C)O)C(=C)[CH]1O;CC1C(CC(=CC=C2CCCC3(C2CCC3C4(CC(CO4)CC(C)(C)O)C)C)C(=C)C1O)O","InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10-/t19-,20+,23-,24+,25-,26+,28-,29-/m0/s1","","2009-06-25","2011-06-04","(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol",""],["23S","(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID","C9 H10 N2 O2 Se","O=C(O)C(N)Cc2c1cc[se]c1nc2;N[CH](Cc1c[nH]c2[se]ccc12)C(O)=O;c1c[se]c2c1c(c[nH]2)CC(C(=O)O)N","InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1","","2004-01-02","2024-09-27","3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine",""],["MKS","1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one","C24 H26 O6","CC(=C/Cc3c2C(c1c(c(CC=C(C)C)c(O)cc1Oc2cc(O)c3OC)O)=O)C;COc1c(O)cc2Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)c2c1CC=C(C)C;CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C","InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3","alpha-Mangostin","2015-02-26","2021-03-01","1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one","2015-09-09"],["23T","2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE","C10 H17 N2 O13 P3","CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1","","2006-07-11","2020-05-02","(hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",""],["MKT","1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one","C23 H24 O6","CC(C)=[C@H]Cc1c(O)cc2Oc3c(C(c2c1O)=O)c(c(c(c3)O)O)C[C@H]=C(C)C;CC(C)=CCc1c(O)cc2Oc3cc(O)c(O)c(CC=C(C)C)c3C(=O)c2c1O;CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C","InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3","Gamma-mangostin","2015-03-02","2020-06-17","1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one","2015-09-09"],["MKU","5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one","C24 H26 O6","CC(=C/Cc4c3C(c2c(c1CCC(C)(C)Oc1cc2Oc3cc(O)c4OC)O)=O)C;COc1c(O)cc2Oc3cc4OC(C)(C)CCc4c(O)c3C(=O)c2c1CC=C(C)C;CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C","InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3","3-isomangostin","2015-03-02","2021-03-01","5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one","2015-09-09"],["23U","beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide","C27 H28 Cl N3 O2","O=C(NCc1cccc(Cl)c1)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4;N[CH](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[CH]3C(=O)NCc4cccc(Cl)c4;c1ccc(cc1)C(c2ccccc2)C(C(=O)N3CCCC3C(=O)NCc4cccc(c4)Cl)N","InChI=1S/C27H28ClN3O2/c28-22-14-7-9-19(17-22)18-30-26(32)23-15-8-16-31(23)27(33)25(29)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-14,17,23-25H,8,15-16,18,29H2,(H,30,32)/t23-,25+/m0/s1","","2008-06-19","2011-06-04","beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide",""],["MKV","2,3,4-tribromo-1H-pyrrole","C4 H2 Br3 N","c1(c(Br)c(Br)cn1)Br;Brc1[nH]cc(Br)c1Br;c1c(c(c([nH]1)Br)Br)Br","InChI=1S/C4H2Br3N/c5-2-1-8-4(7)3(2)6/h1,8H","","2019-04-08","2019-05-24","2,3,4-tribromo-1H-pyrrole","2019-05-29"],["23V","N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 Cl N3 O5 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Cl)c2;OC[CH]1O[CH](NC(=S)NN=Cc2cccc(Cl)c2)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)Cl)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H18ClN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1","3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2E)-2-(3-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["MKW","1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one","C25 H24 Cl N5 O2","CCC(=O)N1CCN2[CH](COc3cnc4cc(c(Cl)cc4c23)c5c(C)ccc6n[nH]cc56)C1;CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OCC2C1)c5c(ccc6c5c[nH]n6)C)Cl","InChI=1S/C25H24ClN5O2/c1-3-23(32)30-6-7-31-15(12-30)13-33-22-11-27-21-9-16(19(26)8-17(21)25(22)31)24-14(2)4-5-20-18(24)10-28-29-20/h4-5,8-11,15H,3,6-7,12-13H2,1-2H3,(H,28,29)/t15-/m1/s1","","2019-10-17","2020-02-14","","2020-02-19"],["23W","methyl 2-(hydroxymethyl)prop-2-enoate","C5 H8 O3","O=C(OC)/C(=C)CO;COC(=O)C(=C)CO;COC(=O)C(=C)CO","InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3","methyl 2-(hydroxymethyl)acrylate","2013-08-26","2021-03-01","methyl 2-(hydroxymethyl)prop-2-enoate","2014-06-25"],["23X","N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide","C30 H42 N4 O5 S2","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)CC)S(=O)(=O)c2ccc3ncsc3c2)C(C)CC)C;CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(C)=O)[CH](C)CC)[S](=O)(=O)c2ccc3ncsc3c2;CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)C(C(C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3","InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29-/m0/s1","","2011-06-06","2012-06-01","N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide",""],["MKX","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate","C15 H19 N6 O10 P","C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;CC(C1C(=O)N(C(=O)N1)c2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)O)O)O)O","InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1","cyclic N6-threonylcarbamoyladenosine 5'-monophosphate","2022-12-26","2024-03-29","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate","2024-04-03"],["23Y","(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl\nbeta-D-glucopyranoside","C34 H32 O11","O(c4cc5OC(c1ccc(O)cc1)C(c2cc(O)cc(O)c2)c5c(C=Cc3ccc(O)cc3)c4)C6OC(C(O)C(O)C6O)CO;OC[CH]1O[CH](Oc2cc3O[CH]([CH](c4cc(O)cc(O)c4)c3c(C=Cc5ccc(O)cc5)c2)c6ccc(O)cc6)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=Cc2cc(cc3c2C(C(O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O","InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29+,30-,31+,32-,33-,34-/m1/s1","POLYPHENOL EPSILON-VINIFERIN GLUCOSIDE","2013-08-27","2020-06-17","(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside","2013-09-11"],["MKY","ethyl [(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetate","C12 H14 N4 O3 S","O=C(OCC)CN1c2ccc(O)cc2SC1=N/C(=[N@H])N;CCOC(=O)CN1C(Sc2cc(O)ccc12)=NC(N)=N;CCOC(=O)CN1c2ccc(cc2SC1=NC(=N)N)O","InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12-","","2010-11-24","2011-11-18","ethyl [(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetate",""],["MKZ","1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one","C23 H23 Cl N6 O","CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4c(C)ccc5[nH]ncc45;CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl","InChI=1S/C23H23ClN6O/c1-3-21(31)29-6-8-30(9-7-29)23-16-10-18(24)15(11-20(16)25-13-26-23)22-14(2)4-5-19-17(22)12-27-28-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28)","","2019-10-17","2020-02-14","1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one","2020-02-19"],["23Z","(2R)-1-{5-acetyl-3-[3-{[2-oxo-2-(1H-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazo\nlo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol","C32 H40 F3 N5 O4 S","CC(=O)N1CCc2n(C[CH](O)CN3CC[CH](CC3)C(C)(C)O)nc(c4ccc(c(SCC(=O)n5cccc5)c4)C(F)(F)F)c2C1;CC(=O)N1CCc2c(c(nn2CC(CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1","InChI=1S/C32H40F3N5O4S/c1-21(41)39-15-10-27-25(19-39)30(36-40(27)18-24(42)17-37-13-8-23(9-14-37)31(2,3)44)22-6-7-26(32(33,34)35)28(16-22)45-20-29(43)38-11-4-5-12-38/h4-7,11-12,16,23-24,42,44H,8-10,13-15,17-20H2,1-3H3/t24-/m1/s1","Thioether Acetamide P3 inhibitor","2010-01-18","2020-06-17","2-[5-[5-ethanoyl-1-[(2R)-2-hydroxy-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrol-1-yl-ethanone",""],["240","(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID","C28 H24 F3 N O6","O=C(O)C(Oc1ccccc1Cc3c2cc(OC(F)(F)F)ccc2n(c3C)C(=O)c4ccc(OC)cc4)C;COc1ccc(cc1)C(=O)n2c(C)c(Cc3ccccc3O[CH](C)C(O)=O)c4cc(OC(F)(F)F)ccc24;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4OC(C)C(=O)O","InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1","MRL20","2007-06-15","2021-03-01","(2S)-2-[2-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid",""],["ML0","4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine","C27 H22 F4 N4 O3","Fc1cccc(c1)c2ccc(cc2)C(Oc4nc(nc(c3ccc(cc3)CC(C(=O)O)N)c4)N)C(F)(F)F;N[CH](Cc1ccc(cc1)c2cc(O[CH](c3ccc(cc3)c4cccc(F)c4)C(F)(F)F)nc(N)n2)C(O)=O;c1cc(cc(c1)F)c2ccc(cc2)C(C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)CC(C(=O)O)N","InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24+/m0/s1","(S)-2-Amino-3-(4-{2-amino-6-[(S)-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid","2009-05-31","2020-06-17","4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine",""],["ML1","N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide","C13 H16 N2 O2","O=C(NCCc2c1cc(OC)ccc1nc2)C;COc1ccc2[nH]cc(CCNC(C)=O)c2c1;CC(=O)NCCc1c[nH]c2c1cc(cc2)OC","InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)","Melatonin","2007-09-12","2020-06-17","N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide",""],["241","(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID","C28 H24 F3 N O6","O=C(O)C(Oc1cccc(c1)Cc3c2cc(OC(F)(F)F)ccc2n(c3C)C(=O)c4ccc(OC)cc4)C;COc1ccc(cc1)C(=O)n2c(C)c(Cc3cccc(O[CH](C)C(O)=O)c3)c4cc(OC(F)(F)F)ccc24;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)OC(C)C(=O)O","InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1","MRL24","2007-06-25","2021-03-01","(2S)-2-[3-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid",""],["242","3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE","C23 H17 F3 N4 O","FC(F)(F)c1cccc(c1)NC(=O)c4cc(c3cc2c(nc(nc2)N)cc3)c(cc4)C;Cc1ccc(cc1c2ccc3nc(N)ncc3c2)C(=O)Nc4cccc(c4)C(F)(F)F;Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)","AMINOQUINAZOLINE 1","2007-01-09","2021-03-01","3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide",""],["ML2","N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide","C13 H15 I N2 O2","O=C(NCCc2c1cc(OC)ccc1nc2I)C;COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1;CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC","InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)","","2007-10-29","2011-06-04","N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide",""],["ML3","2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium","C8 H19 N2 O2 S","O=C(O)C(N)CSCC[N+](C)(C)C;C[N+](C)(C)CCSC[CH](N)C(O)=O;C[N+](C)(C)CCSCC(C(=O)O)N","InChI=1S/C8H18N2O2S/c1-10(2,3)4-5-13-6-7(9)8(11)12/h7H,4-6,9H2,1-3H3/p+1/t7-/m0/s1","","2008-02-19","2024-09-27","2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium",""],["243","(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid","C18 H32 O3","O=C(O)CCCCCCC/C=CC=CC(O)CCCCC;CCCCC[CH](O)C=CC=CCCCCCCCC(O)=O;CCCCCC(C=CC=CCCCCCCCC(=O)O)O","InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1","","2007-07-17","2011-06-04","(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid",""],["ML4","4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine","C27 H26 N4 O2","O=C(O)C(N)Cc4ccc(c1ncc(nc1)NCc2ccccc2c3ccccc3C)cc4;Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(C[CH](N)C(O)=O)cc4;Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)CC(C(=O)O)N","InChI=1S/C27H26N4O2/c1-18-6-2-4-8-22(18)23-9-5-3-7-21(23)15-30-26-17-29-25(16-31-26)20-12-10-19(11-13-20)14-24(28)27(32)33/h2-13,16-17,24H,14-15,28H2,1H3,(H,30,31)(H,32,33)/t24-/m0/s1","(S)-2-Amino-3-(4-{5-[(2'-methyl-biphenyl-2-ylmethyl)-amino]-pyrazin-2-yl}-phenyl)-propionic acid","2009-05-31","2021-03-01","4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine",""],["244","[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE","C16 H11 N O3","N#CCc3cc(O)cc1c3oc(c1)c2ccc(O)cc2;Oc1ccc(cc1)c2oc3c(CC#N)cc(O)cc3c2;c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O","InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2","","2004-08-18","2011-06-04","[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile",""],["ML5","{(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid","C16 H27 N2 O4 P","O=C(Nc1cc(ccc1)CCCCCC)C(N)CCP(=O)(O)O;CCCCCCc1cccc(NC(=O)[CH](N)CC[P](O)(O)=O)c1;CCCCCCc1cccc(c1)NC(=O)C(CCP(=O)(O)O)N","InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1","","2011-12-14","2012-02-10","{(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid",""],["245","1-(2-chloropyridin-4-yl)-3-phenylurea","C12 H10 Cl N3 O","Clc2nccc(NC(=O)Nc1ccccc1)c2;Clc1cc(NC(=O)Nc2ccccc2)ccn1;c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl","InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)","","2007-08-06","2011-06-04","1-(2-chloropyridin-4-yl)-3-phenylurea",""],["ML6","7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine","C19 H20 F N3","Fc1cccc(c1)CCCNCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1;c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N","InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)","","2013-10-09","2014-02-14","7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine","2014-02-19"],["246","1-benzyl-3-(2-chloropyridin-4-yl)urea","C13 H12 Cl N3 O","Clc2nccc(NC(=O)NCc1ccccc1)c2;Clc1cc(NC(=O)NCc2ccccc2)ccn1;c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl","InChI=1S/C13H12ClN3O/c14-12-8-11(6-7-15-12)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18)","","2007-08-06","2011-06-04","1-benzyl-3-(2-chloropyridin-4-yl)urea",""],["ML7","N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","C19 H16 N2 O3 S","C(c1cccc(c1)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O;O=C(NN[S](=O)(=O)c1ccccc1)c2cccc(c2)c3ccccc3;c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3","InChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22)","","2019-04-10","2019-06-28","N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","2019-07-03"],["247","(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid","C9 H9 F2 N O3","O=C(O)C(F)(F)C(N)c1ccc(O)cc1;N[CH](c1ccc(O)cc1)C(F)(F)C(O)=O;c1cc(ccc1C(C(C(=O)O)(F)F)N)O","InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1","","2007-09-14","2024-09-27","(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid",""],["24A","{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID","C20 H28 N6 O5 P2","O=P(O)(O)CP(=O)(O)c1ccc(cc1)Nc3nc(nc2c3ncn2CC)C4CCC(N)CC4;CCn1cnc2c(Nc3ccc(cc3)[P](O)(=O)C[P](O)(O)=O)nc(nc12)[CH]4CC[CH](N)CC4;CCn1cnc2c1nc(nc2Nc3ccc(cc3)P(=O)(CP(=O)(O)O)O)C4CCC(CC4)N","InChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14-","","2005-11-02","2011-06-04","{[(R)-(4-{[2-(trans-4-aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid",""],["ML8","8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C21 H24 N4 O2","O=C2C(=Cc1c(nc(nc1C)NC)N2C3CCCC3)c4cccc(c4)CO;CNc1nc(C)c2C=C(C(=O)N(C3CCCC3)c2n1)c4cccc(CO)c4;Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4","InChI=1S/C21H24N4O2/c1-13-17-11-18(15-7-5-6-14(10-15)12-26)20(27)25(16-8-3-4-9-16)19(17)24-21(22-2)23-13/h5-7,10-11,16,26H,3-4,8-9,12H2,1-2H3,(H,22,23,24)","","2010-04-19","2011-06-04","8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one",""],["ML9","2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one","C22 H27 N5 O4","O=C2C(=Cc1c(nc(nc1C)N)N2C3CCC(OCCO)CC3)c4ccc(OC)nc4;COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([CH]4CC[CH](CC4)OCCO)C2=O;Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO","InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-","","2010-04-19","2011-06-04","2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one",""],["24B","(2,4-DIFLUOROPHENYL)METHANOL","C7 H6 F2 O","Fc1cc(F)ccc1CO;OCc1ccc(F)cc1F;c1cc(c(cc1F)F)CO","InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2","2,4-DIFLUOROBENZYL ALCOHOL 2,4-DIFLUORO-1-(HYDROXYMETHYL)BENZENE","2003-09-11","2020-06-17","(2,4-difluorophenyl)methanol",""],["24D","N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide","C17 H18 Cl2 N4 O2","Clc1ccc(CNC(=O)N2CCC(CC2)Oc3ncccn3)c(Cl)c1;c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl","InChI=1S/C17H18Cl2N4O2/c18-13-3-2-12(15(19)10-13)11-22-17(24)23-8-4-14(5-9-23)25-16-20-6-1-7-21-16/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,22,24)","4-(Pyrimidin-2-yloxy)-piperidine-1-carboxylic acid 2,4-dichloro-benzylamide","2009-11-20","2020-06-17","N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxy-piperidine-1-carboxamide",""],["MLA","MALONIC ACID","C3 H4 O4","O=C(O)CC(=O)O;OC(=O)CC(O)=O;C(C(=O)O)C(=O)O","InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)","DICARBOXYLIC ACID C3; PROPANEDIOLIC ACID; METHANEDICARBOXYLIC ACID","2001-08-17","2024-11-26","propanedioic acid",""],["MLB","6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose","C12 H22 O11","O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1","melibiose","2010-08-26","2020-07-17","6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose",""],["24E","3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one","C22 H15 N O3 S","O=C1c4c(Oc2ccccc12)c(nc4c3sccc3)Cc5ccc(O)cc5;Oc1ccc(Cc2[nH]c(c3sccc3)c4C(=O)c5ccccc5Oc24)cc1;c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2","InChI=1S/C22H15NO3S/c24-14-9-7-13(8-10-14)12-16-22-19(20(23-16)18-6-3-11-27-18)21(25)15-4-1-2-5-17(15)26-22/h1-11,23-24H,12H2","","2013-08-27","2014-07-03","3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one","2014-07-08"],["MLC","MALONYL-COENZYME A","C24 H38 N7 O19 P3 S","O=C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O","InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1","","1999-07-08","2011-06-04","(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)",""],["24F","(2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid","C23 H30 N2 O7 S2","O=S(=O)(c2sc(c1ccc(OCC)cc1)cc2)NC(C(=O)O)C3CCN(C(=O)OC(C)C)CC3;CCOc1ccc(cc1)c2sc(cc2)[S](=O)(=O)N[CH](C3CCN(CC3)C(=O)OC(C)C)C(O)=O;CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(C3CCN(CC3)C(=O)OC(C)C)C(=O)O","InChI=1S/C23H30N2O7S2/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(33-19)34(29,30)24-21(22(26)27)17-11-13-25(14-12-17)23(28)32-15(2)3/h5-10,15,17,21,24H,4,11-14H2,1-3H3,(H,26,27)/t21-/m1/s1","","2008-09-26","2011-06-04","(2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid",""],["MLD","GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA","C37 H59 N7 O20","O=C(O)C(NC(=O)C(NC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C(OC3C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C2OC(OC2)C3NC(=O)C)C)C)CCCC(C(=O)O)N)C;C[CH](NC(=O)[CH](CCC[CH](N)C(O)=O)NC(=O)CC[CH](NC(=O)[CH](C)NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[CH]2OC[CH](O2)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C2OCC(C1OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O2)NC(=O)C","InChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1","2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE","2005-11-18","2021-03-13","(2R,5S,10R,13S,16R)-16-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}-5-[(4R)-4-amino-4-carboxybutyl]-10-carboxy-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oic acid (non-preferred name)",""],["24G","uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-glucosamine","C29 H51 N3 O18 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C3N)CO)O)O;CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](N)[CH](O[CH](CO)[CH]1O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)N)O","InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1","(2R,3R,4R,5S,6R)-3-amino-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate","2013-08-28","2021-03-13","(2R,3R,4R,5S,6R)-3-amino-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name)","2013-10-16"],["MLE","N-METHYLLEUCINE","C7 H15 N O2","O=C(O)C(NC)CC(C)C;CN[CH](CC(C)C)C(O)=O;CC(C)CC(C(=O)O)NC","InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1","","1999-07-08","2024-09-27","N-methyl-L-leucine",""],["24H","{[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid","C9 H14 N5 O6 P","O=P(O)(O)COC(CO)Cn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(C[CH](CO)OC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(CO)OCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1","","2009-04-15","2011-06-04","{[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid",""],["MLG","N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE","C13 H15 Cl2 N O","Clc1cc(Cl)ccc1OCCCN(CC#C)C;CN(CCCOc1ccc(Cl)cc1Cl)CC#C;CN(CCCOc1ccc(cc1Cl)Cl)CC#C","InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3","N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE","2003-10-08","2020-06-17","N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine",""],["24I","(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID","C13 H16 I O6 P","Ic1ccc(cc1)CP(=O)(O)CC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](C[P](O)(=O)Cc1ccc(I)cc1)C(O)=O;c1cc(ccc1CP(=O)(CC(CCC(=O)O)C(=O)O)O)I","InChI=1S/C13H16IO6P/c14-11-4-1-9(2-5-11)7-21(19,20)8-10(13(17)18)3-6-12(15)16/h1-2,4-5,10H,3,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1","","2005-11-09","2011-06-04","(2S)-2-{[(R)-hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid",""],["MLH","ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate","C20 H21 Br N2 O3","CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(O)cc13;CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O","InChI=1S/C20H21BrN2O3/c1-4-26-20(25)19-14-10-18(24)15(21)11-16(14)23(17(19)12-22(2)3)13-8-6-5-7-9-13/h5-11,24H,4,12H2,1-3H3","","2019-10-17","2020-11-13","ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate","2020-11-18"],["24K","trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol","C19 H27 N5 O","n1c(c(cnc1NCCCC)c2ncccc2)NC3CCC(O)CC3;CCCCNc1ncc(c(N[CH]2CC[CH](O)CC2)n1)c3ccccn3;CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3","InChI=1S/C19H27N5O/c1-2-3-11-21-19-22-13-16(17-6-4-5-12-20-17)18(24-19)23-14-7-9-15(25)10-8-14/h4-6,12-15,25H,2-3,7-11H2,1H3,(H2,21,22,23,24)/t14-,15-","","2013-08-28","2013-11-22","trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol","2013-11-27"],["MLI","MALONATE ION","C3 H2 O4","[O-]C(=O)CC([O-])=O;[O-]C(=O)CC([O-])=O;C(C(=O)[O-])C(=O)[O-]","InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2","","2003-06-12","2024-09-27","propanedioate",""],["24L","4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid","C32 H29 N O9","O=C(O)CCCc2cc1c(cccc1)c(c2)CNC(=O)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C;COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cc(CCCC(O)=O)cc5ccccc45;CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O","InChI=1S/C32H29NO9/c1-16(34)26-21(35)14-24-32(2,30(26)39)28-22(36)13-23(41-3)27(29(28)42-24)31(40)33-15-19-12-17(7-6-10-25(37)38)11-18-8-4-5-9-20(18)19/h4-5,8-9,11-14,35-36H,6-7,10,15H2,1-3H3,(H,33,40)(H,37,38)/t32-/m1/s1","","2012-01-17","2012-01-27","4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid",""],["24M","(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid","C12 H23 N O3","O=C(O)C1CCCC1C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)[CH]1CCC[CH]1C(O)=O;CC(C)CC(C(C1CCCC1C(=O)O)O)N","InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1","","2011-02-15","2024-09-27","(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid",""],["MLJ","~{N}-[3-oxidanylidene-3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide","C21 H21 F3 N2 O3","FC(F)(F)Oc1ccc(cc1)C(=O)NCCC(=O)N[CH]2CCCc3ccccc23;c1ccc2c(c1)CCCC2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F","InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1","","2016-06-01","2016-10-07","~{N}-[3-oxidanylidene-3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide","2016-10-12"],["MLK","METHYLLYCACONITINE","C37 H50 N2 O10","O=C1N(C(=O)C(C)C1)c2ccccc2C(=O)OCC43C5C6(C(OC)CC3)C(N(CC)C4)C(O)(C5OC)C8(O)CC(OC)C7CC6C8C7OC;CCN1C[C]2(CC[CH](OC)[C]34[CH]5C[CH]6[CH](C[C](O)([CH]5[CH]6OC)[C](O)([CH](OC)[CH]23)[CH]14)OC)COC(=O)c7ccccc7N8C(=O)C[CH](C)C8=O;CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)CC(C8=O)C","InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1","","2005-08-03","2011-06-04","[(1beta,5alpha,6alpha,8alpha,9alpha,13alpha,14beta,16alpha)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate",""],["24N","1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C23 H25 F2 N9 O","CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CC(F)(F)c4ccccc4)nn3)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cn(nn4)CC(c5ccccc5)(F)F)c(ncn3)N","InChI=1S/C23H25F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,2,6,9-11,13H2,1H3,(H2,26,27,28)/t16-/m1/s1","","2021-06-15","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2022-07-20"],["24O","(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid","C12 H21 N O4","O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)[CH]1CC(=O)C[CH]1C(O)=O;CC(C)CC(C(C1CC(=O)CC1C(=O)O)O)N","InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1","","2011-02-15","2024-09-27","(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid",""],["MLL","METHYL L-LEUCINATE","C7 H15 N O2","O=C(OC)C(N)CC(C)C;COC(=O)[CH](N)CC(C)C;CC(C)CC(C(=O)OC)N","InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1","","2006-10-02","2024-09-27","methyl L-leucinate",""],["MLM","3-AMINO-3-OXOPROPANOIC ACID","C3 H5 N O3","O=C(N)CC(=O)O;NC(=O)CC(O)=O;C(C(=O)N)C(=O)O","InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)","","2002-12-18","2011-06-04","3-amino-3-oxopropanoic acid",""],["24P","(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine","C18 H21 N O","O(c1ccc(cc1)Cc2ccccc2)CC3NCCC3;C1CN[CH](C1)COc2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)OCC3CCCN3","InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1","","2008-12-11","2011-06-04","(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine",""],["MLN","(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE","C18 H28 N3 O8 P","O=C(Nc1ccc(cc1)[N+]([O-])=O)C(NC(=O)C(OP(=O)(O)O)CCCC)CC(C)C;CCCC[CH](O[P](O)(O)=O)C(=O)N[CH](CC(C)C)C(=O)Nc1ccc(cc1)[N+]([O-])=O;CCCCC(C(=O)NC(CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O","InChI=1S/C18H28N3O8P/c1-4-5-6-16(29-30(26,27)28)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H2,26,27,28)/t15-,16-/m0/s1","","1999-07-08","2011-06-04","N-(4-nitrophenyl)-N~2~-[(2S)-2-(phosphonooxy)hexanoyl]-L-leucinamide",""],["24Q","6-(cyclohexylmethyl)-N-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide","C28 H31 N3 O4 S","O=S(=O)(NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3nc(ccc3)CC4CCCCC4)C;C[S](=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc4ccccc4)c1;CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4","InChI=1S/C28H31N3O4S/c1-36(34,35)31-27(32)22-15-16-25(23(19-22)17-20-9-4-2-5-10-20)30-28(33)26-14-8-13-24(29-26)18-21-11-6-3-7-12-21/h2,4-5,8-10,13-16,19,21H,3,6-7,11-12,17-18H2,1H3,(H,30,33)(H,31,32)","","2014-03-12","2014-09-05","N-{2-benzyl-4-[(methylsulfonyl)carbamoyl]phenyl}-6-(cyclohexylmethyl)pyridine-2-carboxamide","2014-07-16"],["MLO","5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol","C18 H18 O2","Oc2ccc(cc2c1c(O)ccc(c1)C/C=C)C/C=C;Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O;C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O","InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2","magnolol","2011-03-23","2021-03-01","5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol",""],["24R","N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide","C21 H23 N7 O S","O=C(c4scc(c3cnn2cc(c1cn(nc1)C)cnc23)c4)NC5CCCCC5N;Cn1cc(cn1)c2cnc3n(c2)ncc3c4csc(c4)C(=O)N[CH]5CCCC[CH]5N;Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)NC5CCCCC5N","InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m1/s1","","2011-06-16","2016-02-12","N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide","2016-02-17"],["24S","N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H18 N4 O7 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccccc2[N+]([O-])=O;OC[CH]1O[CH](NC(=S)NN=Cc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]","InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-3-1-2-4-8(7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5-/t9-,10-,11+,12-,13-/m1/s1","2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2Z)-2-(2-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["MLP","1-AMINOCYCLOPROPYLPHOSPHONATE","C3 H7 N O3 P","[O-]P(=O)(O)C1(N)CC1;NC1(CC1)[P](O)([O-])=O;C1CC1(N)P(=O)(O)[O-]","InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/p-1","","2003-12-12","2011-06-04","hydrogen (1-aminocyclopropyl)phosphonate",""],["MLQ","(2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid","C21 H22 Cl2 N2 O4 S3","CCCCCC[CH](Sc1sc2cc(N[S](=O)(=O)c3ccc(Cl)cc3Cl)ccc2n1)C(O)=O;CCCCCCC(C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl","InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1","","2019-10-18","2019-12-06","(2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid","2019-12-11"],["24T","2-AMINO-4-METHYLTHIAZOLE","C4 H6 N2 S","n1c(csc1N)C;Cc1csc(N)n1;Cc1csc(n1)N","InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)","","1999-07-08","2011-06-04","4-methyl-1,3-thiazol-2-amine",""],["24U","1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C17 H24 N4 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC)CCC2;CCCC(=O)N1CCC[CH]1C(=O)NCc2ccc(cc2)C(N)=N;CCCC(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N","InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1","","2008-02-13","2012-01-05","1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["MLR","MALTOTRIOSE","C18 H32 O16","O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1","AMYLOTRIOSE","2003-03-03","2020-07-17","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["24V","9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine","C23 H26 N8","n1cc(ccc1Nc4nc3n(c2c(ccnc2)c3cn4)C5CCCC5)N6CCNCC6;C1CCC(C1)n2c3cnccc3c4cnc(Nc5ccc(cn5)N6CCNCC6)nc24;c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6","InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)","","2014-03-13","2014-09-05","9-cyclopentyl-N-[5-(piperazin-1-yl)pyridin-2-yl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine","2014-04-30"],["MLS","2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide","C18 H15 F N2 O3 S","c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O;Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F;Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2","InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)","","2019-04-10","2019-06-28","2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide","2019-07-03"],["24W","1,2,3,4-tetrahydroisoquinolin-5-amine","C9 H12 N2","c12cccc(c1CCNC2)N;Nc1cccc2CNCCc12;c1cc2c(c(c1)N)CCNC2","InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2","","2013-09-20","2014-04-11","1,2,3,4-tetrahydroisoquinolin-5-amine","2014-04-16"],["MLT","D-MALATE","C4 H6 O5","O=C(O)C(O)CC(=O)O;O[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)O)C(=O)O","InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1","(2R)-2-HYDROXYBUTANEDIOIC ACID; 2-HYDROXY-SUCCINIC ACID","1999-07-08","2020-06-17","(2R)-2-hydroxybutanedioic acid",""],["MLU","N-methyl-D-leucine","C7 H15 N O2","O=C(O)C(NC)CC(C)C;CN[CH](CC(C)C)C(O)=O;CC(C)CC(C(=O)O)NC","InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1","","2010-08-06","2024-09-27","N-methyl-D-leucine",""],["24X","2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID","C27 H29 N5 O3","O=C(NCC(C)C)c1ccc(c(C(=O)O)c1)c2c(cc(C=C)cc2)CNc3ncc(cc3)C(=[N@H])N;CC(C)CNC(=O)c1ccc(c2ccc(C=C)cc2CNc3ccc(cn3)C(N)=N)c(c1)C(O)=O;[H]N=C(c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)N","InChI=1S/C27H29N5O3/c1-4-17-5-8-21(20(11-17)15-31-24-10-7-19(14-30-24)25(28)29)22-9-6-18(12-23(22)27(34)35)26(33)32-13-16(2)3/h4-12,14,16H,1,13,15H2,2-3H3,(H3,28,29)(H,30,31)(H,32,33)(H,34,35)","","2007-02-26","2011-06-04","2'-{[(5-carbamimidoylpyridin-2-yl)amino]methyl}-4'-ethenyl-4-[(2-methylpropyl)carbamoyl]biphenyl-2-carboxylic acid",""],["24Y","3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one","C19 H14 Cl N5 O","ClC4=CC(c2nc(nn2c1ncccc1C)c3ccccc3)=CNC4=O;Cc1cccnc1n2nc(nc2C3=CNC(=O)C(=C3)Cl)c4ccccc4;Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl","InChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26)","","2013-08-29","2013-09-20","3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one","2013-09-25"],["MLV","2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","C19 H15 F N2 O3 S","C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O;Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3;c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3","InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23)","","2019-04-10","2019-06-28","2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","2019-07-03"],["MLW","4-chloranyl-5~{H}-cyclohepta[b]indol-10-one","C13 H8 Cl N O","Clc1cccc2c1[nH]c3C=CC=CC(=O)c23;c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O","InChI=1S/C13H8ClNO/c14-9-5-3-4-8-12-10(15-13(8)9)6-1-2-7-11(12)16/h1-7,15H","","2019-10-18","2019-11-29","4-chloranyl-5~{H}-cyclohepta[b]indol-10-one","2019-12-04"],["24Z","4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid","C17 H19 N5 O5","O=C(O)CCCNc2cc(NCc1cccnc1)c(C(=O)N)cc2[N+]([O-])=O;NC(=O)c1cc(c(NCCCC(O)=O)cc1NCc2cccnc2)[N+]([O-])=O;c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O","InChI=1S/C17H19N5O5/c18-17(25)12-7-15(22(26)27)14(20-6-2-4-16(23)24)8-13(12)21-10-11-3-1-5-19-9-11/h1,3,5,7-9,20-21H,2,4,6,10H2,(H2,18,25)(H,23,24)","","2011-04-28","2012-08-03","4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid",""],["250","(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid","C9 H20 N2 O5 S","O=S(=O)(O)CC(O)CN1CCN(CCO)CC1;OCCN1CCN(CC1)C[CH](O)C[S](O)(=O)=O;C1CN(CCN1CCO)CC(CS(=O)(=O)O)O","InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)/t9-/m1/s1","","2007-09-17","2011-06-04","(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid",""],["MLX","N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide","C13 H13 Cl F3 N3 O4","FC(F)(F)C(=O)NCCCN(C(=O)CCl)c1ccc(cc1)[N+]([O-])=O;[O-][N+](=O)c1ccc(cc1)N(CCCNC(=O)C(F)(F)F)C(=O)CCl;c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]","InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)","","2017-03-09","2024-09-27","N-{3-[(chloroacetyl)(4-nitrophenyl)amino]propyl}-2,2,2-trifluoroacetamide","2017-12-20"],["MLY","N-DIMETHYL-LYSINE","C8 H18 N2 O2","O=C(O)C(N)CCCCN(C)C;CN(C)CCCC[CH](N)C(O)=O;CN(C)CCCCC(C(=O)O)N","InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1","","1999-07-08","2024-09-27","N~6~,N~6~-dimethyl-L-lysine",""],["251","N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide","C19 H18 N4 O","O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3;NC(=N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3;[H]N=C(N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3","InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)","","2007-09-11","2011-06-04","N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide",""],["252","(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","C9 H22 O7 P2","O=P(O)(O)C(O)(CCCCCCCC)P(=O)(O)O;CCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O;CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)","","2007-06-28","2011-06-04","(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)",""],["MLZ","N-METHYL-LYSINE","C7 H16 N2 O2","O=C(O)C(N)CCCCNC;CNCCCC[CH](N)C(O)=O;CNCCCCC(C(=O)O)N","InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1","","1999-07-08","2024-09-27","N~6~-methyl-L-lysine",""],["MM0","N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine","C28 H30 N4","n3c2c1cc5cc(ccc5nc1ccc2cc4c3ccc(c4)CNCCC)CNCCC;CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCC)cc5cc34)cc2c1;CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC","InChI=1S/C28H30N4/c1-3-11-29-17-19-6-9-26-22(13-19)15-21-7-10-27-24(28(21)32-26)16-23-14-20(18-30-12-4-2)5-8-25(23)31-27/h5-10,13-16,29-30H,3-4,11-12,17-18H2,1-2H3","","2007-11-27","2011-06-04","N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine",""],["253","10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine","C19 H18 N4 O2","n2c1cc(OC)c(OC)cc1c4c(c2)c(nc3c(c(N)ccc34)C)N;COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC;Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N","InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)","","2007-09-18","2011-06-04","10,11-dimethoxy-4-methyldibenzo[c,f][2,7]naphthyridine-3,6-diamine",""],["MM1","1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II)","C10 H24 Cu N4","[Cu]|1|2|3|N4CCCN|1CCN|2CCCN|3CC4;C1C[NH]2CC[NH]3[Cu]24[NH](C1)CC[NH]4CCC3","InChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;","CU-CYCLAM","2005-01-17","2020-06-17","",""],["254","6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID","C26 H27 N O3","O=C(O)c2ccc1cc(ccc1c2)C(=NO)/c3ccc4c(c3)C(CCC4(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)C(=NO)c3ccc4cc(ccc4c3)C(O)=O;CC1(CCC(c2c1ccc(c2)C(=NO)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C","InChI=1S/C26H27NO3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27-30)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,30H,11-12H2,1-4H3,(H,28,29)/b27-23+","SR11254","2000-08-08","2020-06-17","6-[(E)-(hydroxyimino)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid",""],["MM2","1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2","C28 H54 Cu2 N8","[Cu].[Cu].C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2;c1cc(ccc1C[N]23CCC[NH]4[Cu]25[NH](CCC[NH]5CC3)CC4)C[N]67CCC[NH]8[Cu]69[NH](CCC[NH]9CC7)CC8","InChI=1S/C28H54N8.2Cu/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;/h5-8,29-34H,1-4,9-26H2;;","CU-BICYCLAM","2005-01-24","2023-09-23","",""],["255","N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide","C24 H24 N4 O2 S","O=S(=O)(NC(C)(C)C)c1ccc(cc1)c2cc3c(cccc3nc2)Nc4ncccc4;CC(C)(C)N[S](=O)(=O)c1ccc(cc1)c2cnc3cccc(Nc4ccccn4)c3c2;CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2","InChI=1S/C24H24N4O2S/c1-24(2,3)28-31(29,30)19-12-10-17(11-13-19)18-15-20-21(26-16-18)7-6-8-22(20)27-23-9-4-5-14-25-23/h4-16,28H,1-3H3,(H,25,27)","","2007-09-24","2011-06-04","N-tert-butyl-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide",""],["MM3","N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE","C15 H22 N2 O5 S2","O=S(=O)(N1C(C(=O)NO)C(SCCC1)(C)C)c2ccc(OC)cc2;COc1ccc(cc1)[S](=O)(=O)N2CCCSC(C)(C)[CH]2C(=O)NO;CC1(C(N(CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C","InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1","","1999-10-11","2011-06-04","(3R)-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl]-2,2-dimethyl-1,4-thiazepane-3-carboxamide",""],["256","PHENYL(SULFO)ACETIC ACID","C8 H8 O5 S","O=S(=O)(O)C(C(=O)O)c1ccccc1;OC(=O)[CH](c1ccccc1)[S](O)(=O)=O;c1ccc(cc1)C(C(=O)O)S(=O)(=O)O","InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1","RU79256","2003-06-20","2021-03-01","(2R)-phenyl(sulfo)ethanoic acid",""],["MM4","MOLYBDENUM (IV) OXIDE","Mo O2","[Mo](=O)=O;O=[Mo]=O;O=[Mo]=O","InChI=1S/Mo.2O","","1999-07-08","2018-03-05","dioxomolybdenum",""],["258","(2-chloroethoxy)benzene","C8 H9 Cl O","2-chloroethyl phenyl ether;ClCCOc1ccccc1;c1ccc(cc1)OCCCl","InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2","","2007-10-01","2011-06-04","(2-chloroethoxy)benzene",""],["MM5","1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II)","C28 H48 N8 Ni2","C1CN(CCN2CCCN3CCN(C1)[Ni]23)Cc4ccc(CN5CCCN6CCN7CCCN(CC5)[Ni]67)cc4;c1cc(ccc1C[N]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N]67CCCN8[Ni]69N(CCCN9CC7)CC8","InChI=1S/C28H48N8.2Ni/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;/h5-8H,1-4,9-26H2;;/q-6;2*+3","NICKEL(II)XYLYLBICYCLAM","2006-06-19","2023-09-23","",""],["259","1-(methylsulfanyl)-4-nitrobenzene","C7 H7 N O2 S","methyl 4-nitrophenyl sulfide;CSc1ccc(cc1)[N+]([O-])=O;CSc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3","","2007-10-02","2011-06-04","1-(methylsulfanyl)-4-nitrobenzene",""],["MM6","NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE)","C10 H20 N4 Ni","N12CCCN3CCN4CCCN(CC1)[Ni]234;C1CN2CCN3CCCN4CCN(C1)[Ni]234;C1CN2CCN3[Ni]24N(C1)CCN4CCC3","InChI=1S/C10H20N4.Ni/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h1-10H2;/q-4;+4","NICKEL(II)(CYCLAM)","2006-06-19","2021-03-01","[1,4,8,11-tetraazacyclotetradecanato(4-)-kappa~4~N~1~,N~4~,N~8~,N~11~]nickel",""],["25A","5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE","C30 H38 N15 O19 P3","O=P(O)(O)OCC9OC(n1c2ncnc(N)c2nc1)C(OP(=O)(O)OCC8OC(n4cnc3c(ncnc34)N)C(OP(=O)(O)OCC7OC(n5c6ncnc(N)c6nc5)C(O)C7O)C8O)C9O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N","InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1","","2004-05-23","2011-06-04","[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",""],["25B","(1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide","C27 H34 Cl N O4 S","O=C(c1ccc(Cl)cc1)C3C(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCCC)CCCC3;CCCC[CH](CC[S](=O)(=O)c1ccccc1)NC(=O)[CH]2CCCC[CH]2C(=O)c3ccc(Cl)cc3;CCCCC(CCS(=O)(=O)c1ccccc1)NC(=O)C2CCCCC2C(=O)c3ccc(cc3)Cl","InChI=1S/C27H34ClNO4S/c1-2-3-9-22(18-19-34(32,33)23-10-5-4-6-11-23)29-27(31)25-13-8-7-12-24(25)26(30)20-14-16-21(28)17-15-20/h4-6,10-11,14-17,22,24-25H,2-3,7-9,12-13,18-19H2,1H3,(H,29,31)/t22-,24+,25+/m0/s1","(1R,2R)-2-(4-chlorobenzoyl)-N-((S,E)-1-(phenylsulfonyl)hept-1-en-3-yl)cyclohexanecarboxamide","2009-05-13","2024-09-27","(1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide",""],["MM7","(1R)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-O-phosphono-D-erythro-pentitol","C13 H19 O7 P","O=P(O)(OCC2OC(c1ccc(cc1OC)C)CC2O)O;COc1cc(C)ccc1[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;Cc1ccc(c(c1)OC)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C13H19O7P/c1-8-3-4-9(11(5-8)18-2)12-6-10(14)13(20-12)7-19-21(15,16)17/h3-5,10,12-14H,6-7H2,1-2H3,(H2,15,16,17)/t10-,12+,13+/m0/s1","","2011-08-19","2012-06-29","(1R)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-O-phosphono-D-erythro-pentitol",""],["MM8","2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide","C24 H26 N4 O2","COc1cc(ccc1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCNCC4;Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4","InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)","","2019-10-18","2019-10-25","2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide","2019-10-30"],["25D","2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine","C30 H35 N3 O4","O=C(Nc1c(cc(cc1C)C)C)Nc3cc4c(cc3C(=O)NC(C(=O)O)(C)C2CCCCC2)cccc4;Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C](C)(C4CCCCC4)C(O)=O)c(C)c1;Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C)(C4CCCCC4)C(=O)O)C","InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1","","2008-06-10","2011-06-04","2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine",""],["MM9","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide","C24 H36 N6 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)N(C)C)C2CCCCC2)CC3;CN(C)C(=O)CN[CH](C1CCCCC1)C(=O)N2CC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CN(C)C(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C24H36N6O3/c1-29(2)20(31)15-27-21(17-6-4-3-5-7-17)24(33)30-13-12-19(30)23(32)28-14-16-8-10-18(11-9-16)22(25)26/h8-11,17,19,21,27H,3-7,12-15H2,1-2H3,(H3,25,26)(H,28,32)/t19-,21+/m0/s1","","2012-09-14","2014-09-05","(2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(dimethylamino)-2-oxoethyl]amino}acetyl]azetidine-2-carboxamide","2013-01-11"],["25E","N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H19 N3 O6 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccc(O)cc2;OC[CH]1O[CH](NC(=S)NN=Cc2ccc(O)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-1-3-8(19)4-2-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1","4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-05-03","2020-07-17","N-{[(2Z)-2-(4-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["MMA","methyl alpha-D-mannopyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1","O1-METHYL-MANNOSE; methyl alpha-D-mannoside; methyl D-mannoside; methyl mannoside","1999-07-08","2020-07-17","methyl alpha-D-mannopyranoside",""],["25F","2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one","C14 H9 Br N2 O","Brc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3;Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br","InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)","","2013-06-20","2013-10-25","2-(4-bromophenyl)quinazolin-4(3H)-one","2013-10-30"],["MMB","(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID","C25 H28 N2 O5","O=C(O)C(C(=NOCCC)C)Cc3ccc(OCc1nc(oc1C)c2ccccc2)cc3;CCCON=C(C)[CH](Cc1ccc(OCc2nc(oc2C)c3ccccc3)cc1)C(O)=O;CCCON=C(C)C(Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O","InChI=1S/C25H28N2O5/c1-4-14-31-27-17(2)22(25(28)29)15-19-10-12-21(13-11-19)30-16-23-18(3)32-24(26-23)20-8-6-5-7-9-20/h5-13,22H,4,14-16H2,1-3H3,(H,28,29)/b27-17+/t22-/m1/s1","(R,E)-2-(4-((5-METHYL-2-PHENYLOXAZOL-4-YL)METHOXY)BENZYL)-3-(PROPOXYIMINO)BUTANOIC ACID","2006-10-31","2020-06-17","(2R,3E)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid",""],["25G","N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide","C27 H28 N6 O","O=C(c1nc(ccc1)CC2CCCCC2)Nc4c(cc(c3nnnn3)cc4)Cc5ccccc5;O=C(Nc1ccc(cc1Cc2ccccc2)c3[nH]nnn3)c4cccc(CC5CCCCC5)n4;c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5","InChI=1S/C27H28N6O/c34-27(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(26-30-32-33-31-26)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,34)(H,30,31,32,33)","","2014-03-14","2014-09-05","N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide","2014-07-23"],["MMC","METHYL MERCURY ION","C H3 Hg","[Hg+]C;C[Hg+];C[Hg+]","InChI=1S/CH3.Hg/h1H3;/q;+1","","1999-07-08","2011-06-04","methylmercury(1+)",""],["25H","{2-[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid","C9 H14 N5 O5 P","O=P(O)(O)CCOCCn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(CCOCC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-2-19-3-4-20(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15)","9-(2-phosphonoethoxyethyl)guanine","2009-03-05","2021-03-01","{2-[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid",""],["25I","Fluzoparib","C22 H16 F4 N6 O2","Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCn5nc(nc5C4)C(F)(F)F;c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCn5c(nc(n5)C(F)(F)F)C4)F","InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)","SHR3162","2022-12-06","2024-04-26","4-[[4-fluoranyl-3-[[2-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","2024-05-01"],["MMD","5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine","C15 H19 N7 O3 S","O=S(=O)(N3c2nc(nc(c1cnc(nc1)N)c2CC3)N4CCOCC4)C;C[S](=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4;CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4","InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)","","2010-10-29","2011-06-04","5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine",""],["MME","N-METHYL METHIONINE","C6 H13 N O2 S","O=C(O)C(NC)CCSC;CN[CH](CCSC)C(O)=O;CNC(CCSC)C(=O)O","InChI=1S/C6H13NO2S/c1-7-5(6(8)9)3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1","","1999-10-14","2024-09-27","N-methyl-L-methionine",""],["25J","4-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one","C23 H19 F N6 O2","O=C1NCc2c1cccc2c1cc(OC(C)c2cc(F)ccc2n2nccn2)c(N)nc1;C[CH](Oc1cc(cnc1N)c2cccc3C(=O)NCc23)c4cc(F)ccc4n5nccn5;CC(c1cc(ccc1n2nccn2)F)Oc3cc(cnc3N)c4cccc5c4CNC5=O","InChI=1S/C23H19FN6O2/c1-13(18-10-15(24)5-6-20(18)30-28-7-8-29-30)32-21-9-14(11-26-22(21)25)16-3-2-4-17-19(16)12-27-23(17)31/h2-11,13H,12H2,1H3,(H2,25,26)(H,27,31)/t13-/m1/s1","","2021-06-25","2022-06-24","4-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one","2022-06-29"],["25K","N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C15 H17 N5","n2c(cc(N(Cc1ccc(cc1)C)C)n3ncnc23)C;CN(Cc1ccc(C)cc1)c2cc(C)nc3ncnn23;Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C","InChI=1S/C15H17N5/c1-11-4-6-13(7-5-11)9-19(3)14-8-12(2)18-15-16-10-17-20(14)15/h4-8,10H,9H2,1-3H3","","2013-08-28","2013-09-20","N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2013-09-25"],["MMF","dTDP-3-N-methylamino-3,6-dideoxygalactose","C17 H29 N3 O14 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(NC)C3O)C)O)O)C;CN[CH]1[CH](O)[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O","InChI=1S/C17H29N3O14P2/c1-7-5-20(17(25)19-15(7)24)11-4-9(21)10(32-11)6-30-35(26,27)34-36(28,29)33-16-14(23)12(18-3)13(22)8(2)31-16/h5,8-14,16,18,21-23H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,19,24,25)/t8-,9+,10-,11-,12+,13+,14-,16-/m1/s1","","2014-02-17","2014-02-21","(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-02-26"],["MMG","4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid","C20 H14 N2 O2","O=C(O)c4ccc(c2c1cc(cnc1nc2)c3ccccc3)cc4;OC(=O)c1ccc(cc1)c2c[nH]c3ncc(cc23)c4ccccc4;c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O","InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)","","2009-05-14","2011-06-04","4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid",""],["25L","[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate","C30 H40 N15 O25 P5","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)O)N","InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1","2'-5'-oligoadenylate trimer","2009-09-15","2021-03-01","[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate","2014-02-05"],["25N","(3,5-di-tert-butylphenyl)boronic acid","C14 H23 B O2","OB(O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C;CC(C)(C)c1cc(cc(c1)C(C)(C)C)B(O)O;B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O","InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3","","2013-08-06","2024-09-27","(3,5-di-tert-butylphenyl)boronic acid","2014-07-30"],["MMH","N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide","C21 H22 N6 O3","O=C(Nc1cccc(c1)NC(=O)c3c(nnc3N/N=C/c2ccc(OC)cc2)C)C;COc1ccc(cc1)C=NNc2[nH]nc(C)c2C(=O)Nc3cccc(NC(C)=O)c3;Cc1c(c([nH]n1)NN=Cc2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C","InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+","(E)-N-(3-Acetamidophenyl)-5-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-pyrazole-4-carboxamide","2008-12-02","2021-03-01","N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide",""],["MMI","N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4\n-ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE","C38 H62 N6 O8","O=C(NCc1ccccc1)C(NC(=O)C(C)CC(O)C(NC(=O)C2NC(=O)C(NC(=O)OCCCCCCNC(=O)C2)C(C)C)CC(C)C)C(C)C;CC(C)C[CH](NC(=O)[CH]1CC(=O)NCCCCCCOC(=O)N[CH](C(C)C)C(=O)N1)[CH](O)C[CH](C)C(=O)N[CH](C(C)C)C(=O)NCc2ccccc2;CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)O)NC(=O)C2CC(=O)NCCCCCCOC(=O)NC(C(=O)N2)C(C)C","InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1","MMI-175","2004-12-06","2020-06-17","(4S,7S)-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-4-(1-methylethyl)-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide",""],["25O","5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine","C12 H11 N5","n2c(cc(c1ccccc1)n3nc(nc23)N)C;Cc1cc(n2nc(N)nc2n1)c3ccccc3;Cc1cc(n2c(n1)nc(n2)N)c3ccccc3","InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)","","2013-08-28","2013-09-20","5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine","2013-09-25"],["MMJ","N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine","C12 H14 N2 S","n1c(c(sc1c2ccccc2)CNC)C;CNCc1sc(nc1C)c2ccccc2;Cc1c(sc(n1)c2ccccc2)CNC","InChI=1S/C12H14N2S/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3","","2012-03-29","2013-01-25","N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine","2013-01-25"],["25P","4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate","C21 H23 Cl N O4","Clc3ccc(Oc2ccc(OCC1N(CCCC([O-])=O)CCC1)cc2)cc3;[O-]C(=O)CCCN1CCC[CH]1COc2ccc(Oc3ccc(Cl)cc3)cc2;c1cc(ccc1OCC2CCCN2CCCC(=O)[O-])Oc3ccc(cc3)Cl","InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/p-1/t17-/m0/s1","","2008-12-11","2011-06-04","4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate",""],["MMK","2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid","C15 H22 N4 O3","O=C(O)c1ccnc(c1)CNCC(=O)N(C=CN(C)C)CC;CCN(C=CN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O;CCN(C=CN(C)C)C(=O)CNCc1cc(ccn1)C(=O)O","InChI=1S/C15H22N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-9,16H,4,10-11H2,1-3H3,(H,21,22)/b8-7+","","2014-12-22","2015-01-09","2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid","2015-01-14"],["25Q","2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","C18 H15 N5 O2","O=C(c2c1nc4ccccc4nc1n(c2N)c3cccc(OC)c3)N;COc1cccc(c1)n2c(N)c(C(N)=O)c3nc4ccccc4nc23;COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N","InChI=1S/C18H15N5O2/c1-25-11-6-4-5-10(9-11)23-16(19)14(17(20)24)15-18(23)22-13-8-3-2-7-12(13)21-15/h2-9H,19H2,1H3,(H2,20,24)","","2014-03-14","2014-09-05","2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide","2014-08-13"],["25R","2,5-dimethylpyrazine","C6 H8 N2","Cc1cnc(C)cn1;Cc1cnc(cn1)C","InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3","","2009-11-06","2011-06-04","2,5-dimethylpyrazine",""],["MML","1-methyl-4-(1-methylethyl)benzene","C10 H14","c1cc(ccc1C(C)C)C;CC(C)c1ccc(C)cc1;Cc1ccc(cc1)C(C)C","InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3","p-cymene","2010-05-06","2021-03-01","1-methyl-4-(propan-2-yl)benzene",""],["MMM","(S,E)-3-HYDROXY-2-((3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL)METHYLENEAMINO)-2-METHYLPROPANOIC ACID","C12 H17 N2 O8 P","O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)(C)CO;Cc1ncc(CO[P](O)(O)=O)c(C=N[C](C)(CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)(CO)C(=O)O)O","InChI=1S/C12H17N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3-4,15-16H,5-6H2,1-2H3,(H,17,18)(H2,19,20,21)/b14-4+/t12-/m0/s1","","2007-07-25","2011-06-04","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-2-methyl-L-serine",""],["25S","(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide","C33 H29 F3 N6 O2","O=C(Nc1ccncc1)C(NC(=O)c4ccc(N3CCN(c2cc(F)c(F)cc2)CC3)cc4F)Cc6c5ccccc5nc6;Fc1ccc(cc1F)N2CCN(CC2)c3ccc(C(=O)N[CH](Cc4c[nH]c5ccccc45)C(=O)Nc6ccncc6)c(F)c3;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F","InChI=1S/C33H29F3N6O2/c34-27-8-6-24(19-29(27)36)42-15-13-41(14-16-42)23-5-7-26(28(35)18-23)32(43)40-31(33(44)39-22-9-11-37-12-10-22)17-21-20-38-30-4-2-1-3-25(21)30/h1-12,18-20,31,38H,13-17H2,(H,40,43)(H,37,39,44)/t31-/m1/s1","","2014-06-23","2014-08-15","Nalpha-{4-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide","2014-08-20"],["25T","2-AMINO-5-METHYLTHIAZOLE","C4 H7 N2 S","s1c(c[nH+]c1N)C;Cc1sc(N)[nH+]c1;Cc1c[nH+]c(s1)N","InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)/p+1","","1999-07-08","2011-06-04","2-amino-5-methyl-1,3-thiazol-3-ium",""],["MMN","5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL","C8 H19 N O6","OC(C(NC(O)C)CO)C(O)C(O)CO;C[CH](O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO;CC(NC(CO)C(C(C(CO)O)O)O)O","InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1","N-ACETYLMANNOSAMINITOL","2004-10-27","2021-03-01","2-deoxy-2-{[(1S)-1-hydroxyethyl]amino}-D-mannitol",""],["MMO","N~2~-methyl-L-arginine","C7 H16 N4 O2","O=C(O)C(NC)CCCNC(=[N@H])N;CN[CH](CCCNC(N)=N)C(O)=O;CNC(CCCNC(=N)N)C(=O)O","InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1","","2001-07-18","2024-09-27","N~2~-methyl-L-arginine",""],["25U","6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine","C19 H18 N6","n3c(c(C#CCc2cccc(c1cncnc1)c2)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cccc(c2)c3cncnc3;CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3","InChI=1S/C19H18N6/c1-2-17-16(18(20)25-19(21)24-17)8-4-6-13-5-3-7-14(9-13)15-10-22-12-23-11-15/h3,5,7,9-12H,2,6H2,1H3,(H4,20,21,24,25)","","2013-05-01","2013-10-04","6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine","2013-10-09"],["MMP","N-METHYLMESOPORPHYRIN","C35 H40 N4 O4","O=C(O)CCc3c(c4cc1nc(C(=C1CC)C)cc5n(c(cc2nc(C(=C2C)CCC(=O)O)cc3n4)c(c5CC)C)C)C;CCc1c(C)c2cc3n(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC;CCc1c(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1n2C)C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C","InChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-","","1999-07-08","2011-06-04","3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid",""],["25V","N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide","C18 H16 N2 O2","O=C(Nc3cccc(c2c1c(cccc1)[n+]([O-])c(c2)C)c3)C;CC(=O)Nc1cccc(c1)c2cc(C)[n+]([O-])c3ccccc23;Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C","InChI=1S/C18H16N2O2/c1-12-10-17(16-8-3-4-9-18(16)20(12)22)14-6-5-7-15(11-14)19-13(2)21/h3-11H,1-2H3,(H,19,21)","","2013-08-29","2013-09-20","N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide","2013-09-25"],["MMQ","MERCAPTOMETHYL PHOSPHONATE","C H3 O3 P S","[O-]P([O-])(=O)CS;[O-][P]([O-])(=O)CS;C(P(=O)([O-])[O-])S","InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)/p-2","","2000-05-02","2011-06-04","(sulfanylmethyl)phosphonate",""],["25W","(1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol","C6 H13 N O4","OC1CC(N)C(O)C(O)C1O;N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1O)O)O)O)N","InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m0/s1","","2013-08-29","2013-09-27","(1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol","2013-10-02"],["25X","1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane","C3 H5 B10 N2 O2 S","N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N","InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-2-4(3)6(2)7(2)5(2,3)9(3)8(3,4)10(4,6)12(6,7)11(5,7,9)13(8,9,10)12/h15H,1H2,(H2,14,16,17)","","2013-08-30","2013-12-27","","2014-01-01"],["MMR","methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside","C12 H21 N O8","O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C","InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1","1-O-METHYL-N-ACETYL-MURAMIC ACID","2007-05-16","2011-12-12","methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside",""],["MMS","MIMOSINE","C8 H10 N2 O4","O=C(O)C(N)CN1C=CC(=O)C(O)=C1;N[CH](CN1C=CC(=O)C(=C1)O)C(O)=O;C1=CN(C=C(C1=O)O)CC(C(=O)O)N","InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1","3-HYDROXY-4-OXO-1(4H)-PYRIDINEALANINE","2002-08-22","2020-06-17","3-(3-hydroxy-4-oxopyridin-1(4H)-yl)-L-alanine","2017-07-12"],["25Y","1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane","C3 H5 B10 N2 O2 S","N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19;B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N","InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-4-2-5(3,4)7(2)8(2)6(2,4)9(3,4)11(3)10(3,5,7)13(7,8,11)12(6,8,9)11/h15H,1H2,(H2,14,16,17)","","2013-08-30","2013-12-27","","2014-01-01"],["25Z","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone","C17 H12 F3 N3 O S","FC(F)(F)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccccc3;Nc1nc(Nc2ccccc2)sc1C(=O)c3cccc(c3)C(F)(F)F;c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N","InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-4-5-10(9-11)13(24)14-15(21)23-16(25-14)22-12-7-2-1-3-8-12/h1-9H,21H2,(H,22,23)","","2011-04-28","2012-10-26","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone","2012-10-26"],["MMT","5'-O-(DIMETHYLAMINO)-THYMIDINE","C12 H19 N3 O5","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CON(C)C;CN(C)OC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CON(C)C)O","InChI=1S/C12H19N3O5/c1-7-5-15(12(18)13-11(7)17)10-4-8(16)9(20-10)6-19-14(2)3/h5,8-10,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9+,10+/m0/s1","","1999-09-02","2011-06-04","5'-O-(dimethylamino)thymidine",""],["MMU","1,3-dimethylurea","C3 H8 N2 O","O=C(NC)NC;CNC(=O)NC;CNC(=O)NC","InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","","2009-10-07","2011-06-04","1,3-dimethylurea",""],["260","2-(bromomethyl)-1,3-difluorobenzene","C7 H5 Br F2","BrCc1c(F)cccc1F;Fc1cccc(F)c1CBr;c1cc(c(c(c1)F)CBr)F","InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2","","2007-10-02","2011-06-04","2-(bromomethyl)-1,3-difluorobenzene",""],["261","2-ethoxyphenol","C8 H10 O2","O(c1ccccc1O)CC;CCOc1ccccc1O;CCOc1ccccc1O","InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3","","2007-10-02","2011-06-04","2-ethoxyphenol",""],["MMV","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","C18 H24 N4 O4","O=C(O)CCc2ccccc2OCCCOc1c(nc(nc1CC)N)N;CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O","InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22)","","2012-01-26","2012-11-09","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","2012-11-09"],["MMW","2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide","C17 H19 F3 N6 O","N[CH]1CCCN(C1)c2ncc(C(N)=O)c(Nc3cccc(c3)C(F)(F)F)n2;c1cc(cc(c1)Nc2c(cnc(n2)N3CCCC(C3)N)C(=O)N)C(F)(F)F","InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1","","2019-10-18","2020-01-10","2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide","2020-01-15"],["262","2-FORMYLPHENYL DIHYDROGEN PHOSPHATE","C7 H7 O5 P","O=P(Oc1ccccc1C=O)(O)O;O[P](O)(=O)Oc1ccccc1C=O;c1ccc(c(c1)C=O)OP(=O)(O)O","InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)","RU78262","2003-06-20","2024-09-27","2-formylphenyl dihydrogen phosphate",""],["MMX","3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate)","C11 H22 N3 O8 P","O=P(O)(O)OCC1OC(N2CCC(N)N(CC)C2=O)C(O)C1O;CCN1[CH](N)CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CCN1C(CCN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C11H22N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h6-10,15-16H,2-5,12H2,1H3,(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1","","2022-03-17","2022-05-27","3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate)","2022-06-01"],["263","1-(azidomethyl)-3-methylbenzene","C8 H9 N3","3-methylbenzyl azide;Cc1cccc(CN=[N+]=[N-])c1;Cc1cccc(c1)CN=[N+]=[N-]","InChI=1S/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3","","2007-10-02","2011-06-04","1-(azidomethyl)-3-methylbenzene",""],["MMY","5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine","C19 H20 N8 O","n1c4c(c(nc1N2CCOCC2)c3cnc(nc3)N)CCN4c5cccnc5;Nc1ncc(cn1)c2nc(nc3N(CCc23)c4cccnc4)N5CCOCC5;c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5","InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23)","","2010-10-29","2011-06-04","5-[2-(morpholin-4-yl)-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine",""],["264","(phenylamino)acetonitrile","C8 H8 N2","N#CCNc1ccccc1;N#CCNc1ccccc1;c1ccc(cc1)NCC#N","InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2","","2007-10-02","2011-06-04","(phenylamino)acetonitrile",""],["MMZ","1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE","C4 H6 N2 S","S=C1N(C=CN1)C;CN1C=CNC1=S;CN1C=CNC1=S","InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)","METHIMAZOLE","2006-05-04","2021-03-01","1-methyl-1,3-dihydro-2H-imidazole-2-thione",""],["265","2-nitrothiophene","C4 H3 N O2 S","[O-][N+](=O)c1sccc1;[O-][N+](=O)c1sccc1;c1cc(sc1)[N+](=O)[O-]","InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H","","2007-10-02","2011-06-04","2-nitrothiophene",""],["MN","MANGANESE (II) ION","Mn","[Mn+2];[Mn++];[Mn+2]","InChI=1S/Mn/q+2","","1999-07-08","2011-06-04","manganese(2+)",""],["266","2-(propylsulfanyl)ethanol","C5 H12 O S","OCCSCCC;CCCSCCO;CCCSCCO","InChI=1S/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3","","2007-10-02","2011-06-04","2-(propylsulfanyl)ethanol",""],["267","1-(azidomethyl)-3-methylbenzene","C8 H9 N3","3-methylbenzyl azide;Cc1cccc(CN=[N+]=[N-])c1;Cc1cccc(c1)CN=[N+]=[N-]","InChI=1/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3","","2007-10-02","2009-09-09","1-(azidomethyl)-3-methylbenzene",""],["MN0","methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C12 H21 N O10","O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO;CO[C]1(C[CH](O)[CH](NC(=O)CO)[CH](O1)[CH](O)[CH](O)CO)C(O)=O;COC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)CO)O)C(=O)O","InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1","methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-galacto-non-2-ulosidonic acid","2011-07-21","2020-07-17","methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["MN1","4-CARBOXYPIPERIDINE","C6 H11 N O2","O=C(O)C1CCNCC1;OC(=O)C1CCNCC1;C1CNCCC1C(=O)O","InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","","1999-07-08","2024-09-27","piperidine-4-carboxylic acid",""],["268","2-phenoxyethanol","C8 H10 O2","O(c1ccccc1)CCO;OCCOc1ccccc1;c1ccc(cc1)OCCO","InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2","","2007-10-02","2011-06-04","2-phenoxyethanol",""],["269","(1R)-3-chloro-1-phenylpropan-1-ol","C9 H11 Cl O","ClCCC(O)c1ccccc1;O[CH](CCCl)c1ccccc1;c1ccc(cc1)C(CCCl)O","InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1","","2007-10-02","2011-06-04","(1R)-3-chloro-1-phenylpropan-1-ol",""],["MN2","1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE","C11 H17 N2 O2","O=C(O)CCNCc1ccc(cc1)C[NH3+];[NH3+]Cc1ccc(CNCCC(O)=O)cc1;c1cc(ccc1C[NH3+])CNCCC(=O)O","InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1","","1999-07-08","2024-09-27","(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium",""],["MN3","MANGANESE (III) ION","Mn","[Mn+3];[Mn+3];[Mn+3]","InChI=1S/Mn/q+3","","1999-07-08","2011-06-04","manganese(3+)",""],["26A","6N-DIMETHYLADENOSINE","C12 H17 N5 O4","n2c1c(ncnc1N(C)C)n(c2)C3OC(C(O)C3O)CO;CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1","","2005-07-28","2011-06-04","N,N-dimethyladenosine",""],["MN5","MANGANESE ION, 5 WATERS COORDINATED","H10 Mn O5","O|[Mn++](|O)(|O)(|O)|O;[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2]","InChI=1/Mn.5H2O/h;5*1H2/q+2;;;;;/rH10MnO5/c2-1(3,4,5)6/h2-6H2/q+2","","2000-02-28","2008-10-14","",""],["26B","O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine","C29 H35 N3 O5","O=C(Nc1c(cc(cc1C)C)C)Nc3cc2ccccc2cc3C(=O)NC(C(=O)O)C(OC(C)(C)C)C;C[CH](OC(C)(C)C)[CH](NC(=O)c1cc2ccccc2cc1NC(=O)Nc3c(C)cc(C)cc3C)C(O)=O;Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C(C)OC(C)(C)C)C(=O)O)C","InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1","","2008-06-10","2011-06-04","O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine",""],["MN6","MANGANESE ION, 6 WATERS COORDINATED","H12 Mn O6","O|[Mn](|O)(|O)(|O)(|O)|O;[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/Mn.6H2O/h;6*1H2/rH12MnO6/c2-1(3,4,5,6)7/h2-7H2","","2005-02-10","2008-10-14","",""],["26C","2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID","C13 H8 F2 O2","Fc2cccc(F)c2c1ccc(C(=O)O)cc1;OC(=O)c1ccc(cc1)c2c(F)cccc2F;c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F","InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17)","","2005-12-02","2011-06-04","2',6'-difluorobiphenyl-4-carboxylic acid",""],["MN7","1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE","C12 H17 N O2","O=C(O)c1ccc(cc1)CNCC(C)C;CC(C)CNCc1ccc(cc1)C(O)=O;CC(C)CNCc1ccc(cc1)C(=O)O","InChI=1S/C12H17NO2/c1-9(2)7-13-8-10-3-5-11(6-4-10)12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)","","1999-07-08","2024-09-27","4-{[(2-methylpropyl)amino]methyl}benzoic acid",""],["26D","PYRIDINE-2,6-DIAMINE","C5 H7 N3","n1c(N)cccc1N;Nc1cccc(N)n1;c1cc(nc(c1)N)N","InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)","","2005-08-23","2011-06-04","pyridine-2,6-diamine",""],["MN8","2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE","C16 H18 N2 O2 S","O=C(O)c1nc(sc1C(C)C)C3NCc2ccccc2C3;CC(C)c1sc(nc1C(O)=O)[CH]2Cc3ccccc3CN2;CC(C)c1c(nc(s1)C2Cc3ccccc3CN2)C(=O)O","InChI=1S/C16H18N2O2S/c1-9(2)14-13(16(19)20)18-15(21-14)12-7-10-5-3-4-6-11(10)8-17-12/h3-6,9,12,17H,7-8H2,1-2H3,(H,19,20)/t12-/m0/s1","","1999-07-08","2024-09-27","5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid",""],["26E","7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane","C3 H5 B9 N2 O2 S","N[S](=O)(=O)NC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B31B823B966B744B622C45C321CNS(=O)(=O)N","InChI=1S/C3H5B9N2O2S/c13-17(15,16)14-1-3-2-4-6-5(3)9(3)7(2,3)8(2,4)10(4,6)11(5,6,9)12(7,8,9)10/h14H,1H2,(H2,13,15,16)","","2013-08-30","2013-12-27","","2014-01-01"],["26F","(2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide","C26 H28 F3 N5 O7 S","O=S(=O)(c1ccc(OC(F)(F)F)cc1)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nc(OC)nc(OC)c3)CC4;COc1ccc(CNC(=O)[CH]2CN(CCN2[S](=O)(=O)c3ccc(OC(F)(F)F)cc3)c4cc(OC)nc(OC)n4)cc1;COc1ccc(cc1)CNC(=O)C2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC","InChI=1S/C26H28F3N5O7S/c1-38-18-6-4-17(5-7-18)15-30-24(35)21-16-33(22-14-23(39-2)32-25(31-22)40-3)12-13-34(21)42(36,37)20-10-8-19(9-11-20)41-26(27,28)29/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,30,35)/t21-/m1/s1","","2011-02-12","2011-06-04","(2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide",""],["MN9","2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE","C8 H15 N O6","O=CC(NC(=O)C)C(O)C(O)C(O)CO;CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C=O)C(C(C(CO)O)O)O","InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1","","2009-09-05","2014-02-14","2-(acetylamino)-2-deoxy-D-mannose","2014-02-19"],["MNA","2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid","C12 H21 N O9","O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC)O","InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1","2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID","1999-07-08","2020-07-17","methyl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["26G","2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol","C14 H17 N3 O","n1c(N)c(cnc1C)Cc2cccc(c2)CCO;Cc1ncc(Cc2cccc(CCO)c2)c(N)n1;Cc1ncc(c(n1)N)Cc2cccc(c2)CCO","InChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17)","","2013-08-30","2014-08-22","2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol","2014-08-27"],["26J","2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form","C20 H25 F3 N4 O2 S","FC(F)(F)c2cc(c1SC(=NC(=O)c1c2)N4CCN(CC3CCCCC3)CC4)NO;ONc1cc(cc2C(=O)N=C(Sc12)N3CCN(CC3)CC4CCCCC4)C(F)(F)F;c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F","InChI=1S/C20H25F3N4O2S/c21-20(22,23)14-10-15-17(16(11-14)25-29)30-19(24-18(15)28)27-8-6-26(7-9-27)12-13-4-2-1-3-5-13/h10-11,13,25,29H,1-9,12H2","","2013-08-30","2024-09-27","2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-(hydroxyamino)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one","2014-02-19"],["MNB","5-MERCAPTO-2-NITRO-BENZOIC ACID","C7 H5 N O4 S","O=[N+]([O-])c1c(cc(S)cc1)C(=O)O;OC(=O)c1cc(S)ccc1[N+]([O-])=O;c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]","InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)","","2000-06-08","2024-09-27","2-nitro-5-sulfanylbenzoic acid",""],["MNC","METHYL ISOCYANIDE","C2 H3 N","methyl isocyanide;C[N+]#[C-];C[N+]#[C-]","InChI=1S/C2H3N/c1-3-2/h1H3","","1999-07-08","2011-06-04","isocyanomethane",""],["26K","N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine","C13 H17 N7","n2n1ccc(nc1c(c2)c3cnnc3)NCCN(C)C;CN(C)CCNc1ccn2ncc(c3c[nH]nc3)c2n1;CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3","InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)","","2013-09-02","2013-09-13","N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine","2013-09-18"],["MND","N-methyl-D-asparagine","C5 H10 N2 O3","O=C(NC)CC(N)C(=O)O;CNC(=O)C[CH](N)C(O)=O;CNC(=O)CC(C(=O)O)N","InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1","","2008-06-02","2024-09-27","N-methyl-D-asparagine",""],["26L","(1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine","C22 H23 N5","n1c(ccn2ncc(c12)c4cc3ccccc3cc4)NC5CCCCC5N;N[CH]1CCCC[CH]1Nc2ccn3ncc(c4ccc5ccccc5c4)c3n2;c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NC5CCCCC5N","InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1","","2013-09-02","2013-09-06","(1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine","2013-09-11"],["MNG","MENOGARIL","C28 H31 N O10","O=C4c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5cc6c(c(O)c45)C(OC)CC(O)(C)C6;CO[CH]1C[C](C)(O)Cc2cc3C(=O)c4c5O[CH]6O[C](C)([CH](O)[CH]([CH]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12;CC1(Cc2cc3c(c(c2C(C1)OC)O)C(=O)c4c(cc5c(c4C3=O)OC6C(C(C(C5(O6)C)O)N(C)C)O)O)O","InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1","","1999-07-08","2011-06-04","(2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione",""],["26M","N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine","C20 H23 N O7","O=C(NC1OC(C(O)C(O)C1O)CO)COc3ccc(c2ccccc2)cc3;OC[CH]1O[CH](NC(=O)COc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)OCC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C20H23NO7/c22-10-15-17(24)18(25)19(26)20(28-15)21-16(23)11-27-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17-20,22,24-26H,10-11H2,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1","","2013-09-03","2014-07-18","N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine","2014-07-23"],["MNH","MANGANESE PROTOPORPHYRIN IX","C34 H32 Mn N4 O4","O=C(O)CCC=1c4[n+]3C(C=1C)=Cc8c(c(c7cc2C(=C(C6=[n+]2[Mn+2]3(n5c(c4)C(=C(C5=C6)C)CCC(=O)O)n78)C)/C=C)C)/C=C;CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5n6c(C=C7C(=C(C)C8=[N+]7[Mn++]46[N]2C1=C8)C=C)c(C)c5C=C)C(=C3CCC(O)=O)C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C","InChI=1S/C34H34N4O4.Mn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+6/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2005-09-27","2011-06-07","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]manganese(4+)",""],["26N","Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide","C34 H30 F4 N6 O2","O=C(Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3ccc(cc3)C(F)(F)F)CC4)Cc6c5ccccc5nc6;Fc1cc(ccc1C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)Nc4ccncc4)N5CCN(CC5)c6ccc(cc6)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F","InChI=1S/C34H30F4N6O2/c35-29-20-26(44-17-15-43(16-18-44)25-7-5-23(6-8-25)34(36,37)38)9-10-28(29)32(45)42-31(33(46)41-24-11-13-39-14-12-24)19-22-21-40-30-4-2-1-3-27(22)30/h1-14,20-21,31,40H,15-19H2,(H,42,45)(H,39,41,46)/t31-/m1/s1","","2013-08-19","2014-08-29","Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide","2014-09-03"],["MNI","N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-4-(DIMETHYLAMINO)BENZAMIDE","C15 H23 N3 O4","O=C(c1ccc(N(C)C)cc1)NCC2NC(CO)C(O)C2O;CN(C)c1ccc(cc1)C(=O)NC[CH]2N[CH](CO)[CH](O)[CH]2O;CN(C)c1ccc(cc1)C(=O)NCC2C(C(C(N2)CO)O)O","InChI=1S/C15H23N3O4/c1-18(2)10-5-3-9(4-6-10)15(22)16-7-11-13(20)14(21)12(8-19)17-11/h3-6,11-14,17,19-21H,7-8H2,1-2H3,(H,16,22)/t11-,12-,13-,14-/m1/s1","1-(4-DIMETHYLAMINO)BENZOYLAMINO-1,2,5-TRIDEOXY-2,5-IMINO-D-MANNITOL","2007-02-26","2021-03-13","N-{[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide",""],["26O","N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine","C14 H19 N3 O6 S","S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2O;OC[CH]1O[CH](NC(=S)NN=Cc2ccccc2O)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)C=NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-3-1-2-4-8(7)19/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5+/t9-,10-,11+,12-,13-/m1/s1","2-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone;\nN-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine;\nN-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-D-glucosylamine;\nN-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-glucosylamine","2010-06-07","2020-07-17","N-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine",""],["26P","2-AMINO-6-OXOPIMELIC ACID","C7 H11 N O5","O=C(O)C(=O)CCCC(N)C(=O)O;N[CH](CCCC(=O)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)C(=O)O","InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-amino-6-oxoheptanedioic acid",""],["MNJ","4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","C19 H15 F N2 O3 S","c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O;Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3;c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F","InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)","","2019-04-10","2019-06-28","4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide","2019-07-03"],["MNK","(2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one","C15 H18 O3","O=C1C(O)=CC(=C2C(=C1O)CCC(C(=C)C)C2)C;CC(=C)[CH]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O;CC1=C2CC(CCC2=C(C(=O)C(=C1)O)O)C(=C)C","InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1","","2011-02-03","2011-12-16","(2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one",""],["26Q","N-[(2E)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-D-glucopyranosylamine","C21 H23 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)C=Cc3ccc(c2ccccc2)cc3;OC[CH]1O[CH](NC(=O)C=Cc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)C=CC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C21H23NO6/c23-12-16-18(25)19(26)20(27)21(28-16)22-17(24)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-11,16,18-21,23,25-27H,12H2,(H,22,24)/b11-8+/t16-,18-,19+,20-,21-/m1/s1","","2013-09-03","2014-07-18","N-[(2E)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-D-glucopyranosylamine","2014-07-23"],["26R","N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine","C19 H29 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)C(C)Cc2ccc(cc2)C(C)C;CC(C)c1ccc(C[CH](C)C(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;CC(C)c1ccc(cc1)CC(C)C(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C19H29NO6/c1-10(2)13-6-4-12(5-7-13)8-11(3)18(25)20-19-17(24)16(23)15(22)14(9-21)26-19/h4-7,10-11,14-17,19,21-24H,8-9H2,1-3H3,(H,20,25)/t11-,14-,15-,16+,17-,19-/m1/s1","","2013-09-03","2014-07-18","N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine","2014-07-23"],["MNL","4,N-DIMETHYLNORLEUCINE","C8 H17 N O2","O=C(O)C(NC)CC(CC)C;CC[CH](C)C[CH](NC)C(O)=O;CCC(C)CC(C(=O)O)NC","InChI=1S/C8H17NO2/c1-4-6(2)5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1","","1999-07-08","2024-09-27","(4R)-N,4-dimethyl-L-norleucine",""],["26S","(2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide","C27 H33 N5 O6 S","O=S(=O)(c1ccc(cc1)CC)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nc(OC)nc(OC)c3)CC4;CCc1ccc(cc1)[S](=O)(=O)N2CCN(C[CH]2C(=O)NCc3ccc(OC)cc3)c4cc(OC)nc(OC)n4;CCc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC","InChI=1S/C27H33N5O6S/c1-5-19-8-12-22(13-9-19)39(34,35)32-15-14-31(24-16-25(37-3)30-27(29-24)38-4)18-23(32)26(33)28-17-20-6-10-21(36-2)11-7-20/h6-13,16,23H,5,14-15,17-18H2,1-4H3,(H,28,33)/t23-/m1/s1","","2011-02-12","2011-06-04","(2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide",""],["MNM","(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE","C6 H13 N O4","OC1C(CNC(O)C1O)CO;OC[CH]1CN[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)O)O)O)CO","InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1","","2005-08-31","2011-06-04","(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol",""],["MNN","(S)-MANDELIC ACID NITRILE","C8 H7 N O","N#CC(O)c1ccccc1;O[CH](C#N)c1ccccc1;c1ccc(cc1)C(C#N)O","InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1","(S)-HYDROXY(PHENYL)ACETONITRILE","2005-01-19","2021-03-01","(2S)-hydroxy(phenyl)ethanenitrile",""],["26T","(3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate","C5 H9 O7 P","O=P(OCC(=O)C(O)C(=O)C)(O)O;CC(=O)[CH](O)C(=O)CO[P](O)(O)=O;CC(=O)C(C(=O)COP(=O)(O)O)O","InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1","","2014-03-18","2014-09-12","(3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate","2014-09-17"],["MNO","(3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE","C26 H32 N4 O7 S","O=C(NC(C=O)CC(=O)NS(=O)(=O)C)C3N(C(=O)C(NC(=O)c2cc1ccccc1cc2)C(C)C)CCC3;CC(C)[CH](NC(=O)c1ccc2ccccc2c1)C(=O)N3CCC[CH]3C(=O)N[CH](CC(=O)N[S](C)(=O)=O)C=O;CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2","InChI=1S/C26H32N4O7S/c1-16(2)23(28-24(33)19-11-10-17-7-4-5-8-18(17)13-19)26(35)30-12-6-9-21(30)25(34)27-20(15-31)14-22(32)29-38(3,36)37/h4-5,7-8,10-11,13,15-16,20-21,23H,6,9,12,14H2,1-3H3,(H,27,34)(H,28,33)(H,29,32)/t20-,21-,23-/m0/s1","","1999-07-08","2024-09-27","N-(naphthalen-2-ylcarbonyl)-L-valyl-N-{(1S)-1-formyl-3-[(methylsulfonyl)amino]-3-oxopropyl}-L-prolinamide",""],["26U","N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide","C19 H28 N4 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC(C)C)CCC2;CC(C)CCC(=O)N1CCC[CH]1C(=O)NCc2ccc(cc2)C(N)=N;CC(C)CCC(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N","InChI=1S/C19H28N4O2/c1-13(2)5-10-17(24)23-11-3-4-16(23)19(25)22-12-14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,20,21)(H,22,25)/t16-/m0/s1","","2008-02-20","2012-01-05","N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide",""],["26V","N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine","C20 H29 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)CCCc2ccc3c(c2)CCCC3;OC[CH]1O[CH](NC(=O)CCCc2ccc3CCCCc3c2)[CH](O)[CH](O)[CH]1O;c1cc2c(cc1CCCC(=O)NC3C(C(C(C(O3)CO)O)O)O)CCCC2","InChI=1S/C20H29NO6/c22-11-15-17(24)18(25)19(26)20(27-15)21-16(23)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h8-10,15,17-20,22,24-26H,1-7,11H2,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1","","2013-09-03","2014-07-18","N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine","2014-07-23"],["MNP","2-(3-NITROPHENYL)ACETIC ACID","C8 H7 N O4","O=C(O)Cc1cccc(c1)[N+]([O-])=O;OC(=O)Cc1cccc(c1)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])CC(=O)O","InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)","","1999-07-08","2011-06-04","(3-nitrophenyl)acetic acid",""],["MNQ","M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE","C8 H11 Be F3 N2 O9 P2","O[P](=O)(OCCNc1cccc(c1)[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F;[Be-](OP(=O)(O)OP(=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F","InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-3-1-2-7(6-8)9-4-5-18-21(16,17)19-20(13,14)15;;;;/h1-3,6,9H,4-5H2,(H,16,17)(H2,13,14,15);;3*1H/q;+3;;;/p-4","","1999-09-22","2011-06-04","trifluoro-[hydroxy-[hydroxy-[2-[(3-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium",""],["26W","N-[(3R)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine","C18 H27 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)CC(c2ccc(cc2)CC)C;CCc1ccc(cc1)[CH](C)CC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CCc1ccc(cc1)C(C)CC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C18H27NO6/c1-3-11-4-6-12(7-5-11)10(2)8-14(21)19-18-17(24)16(23)15(22)13(9-20)25-18/h4-7,10,13,15-18,20,22-24H,3,8-9H2,1-2H3,(H,19,21)/t10-,13-,15-,16+,17-,18-/m1/s1","","2013-09-03","2014-07-18","N-[(3R)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine","2014-07-23"],["26X","1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide","C27 H27 N7 O2","CCC(=O)N1CC(C1)n2cc(c3ccncc3)c(n2)c4cccc(NC(=O)c5cn(cn5)C6CC6)c4;CCC(=O)N1CC(C1)n2cc(c(n2)c3cccc(c3)NC(=O)c4cn(cn4)C5CC5)c6ccncc6","InChI=1S/C27H27N7O2/c1-2-25(35)32-13-22(14-32)34-15-23(18-8-10-28-11-9-18)26(31-34)19-4-3-5-20(12-19)30-27(36)24-16-33(17-29-24)21-6-7-21/h3-5,8-12,15-17,21-22H,2,6-7,13-14H2,1H3,(H,30,36)","","2023-07-11","2024-09-27","1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide","2024-06-05"],["MNR","PROTOPORPHYRIN IX CONTAINING MN","C34 H32 Mn N4 O4","O=C(O)CCC5=C(c4cc3C(/C=C)=C(C2=Cc8c(c(c7cc1C(=C(C6=[n+]1[Mn+3]([n+]23)(n4C5=C6)n78)CCC(=O)O)C)C)/C=C)C)C;CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5n6c(C=C7C(=C(C=C)C8=[N+]7[Mn+3]46[N]2C1=C8)C)c(C=C)c5C)C(=C3CCC(O)=O)C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C","InChI=1S/C34H34N4O4.Mn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+7/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2006-01-18","2011-06-07","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]manganese(5+)",""],["MNS","5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE","C12 H14 N2 O2 S","O=S(=O)(c1cccc2c1cccc2N(C)C)N;CN(C)c1cccc2c1cccc2[S](N)(=O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)N","InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)","DANSYLAMIDE","1999-07-08","2021-03-01","5-(dimethylamino)naphthalene-1-sulfonamide",""],["26Y","N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine","C18 H25 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)C=Cc2ccc(cc2)C(C)C;CC(C)c1ccc(C=CC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;CC(C)c1ccc(cc1)C=CC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C18H25NO6/c1-10(2)12-6-3-11(4-7-12)5-8-14(21)19-18-17(24)16(23)15(22)13(9-20)25-18/h3-8,10,13,15-18,20,22-24H,9H2,1-2H3,(H,19,21)/b8-5+/t13-,15-,16+,17-,18-/m1/s1","","2013-09-04","2014-07-18","N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine","2014-07-23"],["26Z","4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C16 H15 N5 O3 S2","O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(N)c2)N)cc3;Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N;c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)","","2011-04-28","2012-10-26","4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["MNT","2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE","C18 H22 N6 O10 P2","O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2C[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34;CNc1ccccc1C(=O)OC2CC(OC2COP(=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N","InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1","MANT-ADP","1999-07-08","2021-03-01","2'-deoxy-3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(trihydrogen diphosphate)",""],["MNU","(2R,4S)-1-[(4R)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]-5-[(METHYLAMINO)METHYL]-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIOL-5'-MON\nOPHOSPHATE","C11 H18 N3 O9 P","O=C1NC(=O)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O;CNCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CNCC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H18N3O9P/c1-12-2-5-3-14(11(18)13-9(5)17)10-8(16)7(15)6(23-10)4-22-24(19,20)21/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,18)(H2,19,20,21)/t6-,7-,8-,10-/m1/s1","C5-(METHYLAMINO)METHYL-URIDINE-5'-MONOPHOSPHATE","2004-11-12","2020-06-17","5-[(methylamino)methyl]uridine 5'-(dihydrogen phosphate)",""],["270","2H-BENZOIMIDAZOL-2-YLAMINE","C7 H7 N3","N1=C2C=CC=CC2=NC1N;NC1N=C2C=CC=CC2=N1;C1=CC2=NC(N=C2C=C1)N","InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2","ZK-800270","1999-07-08","2020-06-17","2H-benzimidazol-2-amine",""],["MNV","N-METHYL-C-AMINO VALINE","C6 H14 N2 O","O=C(N)C(NC)C(C)C;CN[CH](C(C)C)C(N)=O;CC(C)C(C(=O)N)NC","InChI=1S/C6H14N2O/c1-4(2)5(8-3)6(7)9/h4-5,8H,1-3H3,(H2,7,9)/t5-/m0/s1","","1999-07-08","2011-12-12","N~2~-methyl-L-valinamide",""],["271","N-methyl-1-phenylmethanamine","C8 H11 N","N(C)Cc1ccccc1;CNCc1ccccc1;CNCc1ccccc1","InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3","","2007-10-10","2024-09-27","N-methyl-1-phenylmethanamine",""],["MNW","8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene","C6 H9 O7 V","Cc1[o+]ccc2O[V](O)(O)(O)(O)Oc12;Cc1c2c(cc[o+]1)O[V](O2)(O)(O)(O)O","InChI=1S/C6H6O3.4H2O.V/c1-4-6(8)5(7)2-3-9-4;;;;;/h2-3H,1H3,(H-,7,8);4*1H2;/q;;;;;+6/p-5","","2022-07-27","2023-09-23","2-methyl-8,8,8,8-tetrakis(oxidanyl)-7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene","2022-11-23"],["272","4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL","C13 H9 N O4","n2oc1cc(O)ccc1c2c3ccc(O)cc3O;Oc1ccc(c(O)c1)c2noc3cc(O)ccc23;c1cc2c(cc1O)onc2c3ccc(cc3O)O","InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H","","2004-08-02","2011-06-04","4-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol",""],["273","cyclopentanecarboximidamide","C6 H12 N2","[N@H]=C(N)C1CCCC1;NC(=N)C1CCCC1;[H]N=C(C1CCCC1)N","InChI=1S/C6H12N2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H3,7,8)","","2007-10-17","2011-06-04","cyclopentanecarboximidamide",""],["MNX","1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE","C13 H7 N O6","[O-][N+](=O)c2ccc(O)c1C(=O)c3c(O)cccc3Oc12;Oc1cccc2Oc3c(c(O)ccc3[N+]([O-])=O)C(=O)c12;c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O","InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H","","2002-07-15","2011-06-04","1,8-dihydroxy-4-nitro-9H-xanthen-9-one",""],["MNY","5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE","C14 H10 N2 O4","O=C2c1c(c(N)ccc1N)C(=O)c3c2c(O)ccc3O;Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12;c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N","InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2","","2002-07-15","2011-06-04","1,4-diamino-5,8-dihydroxyanthracene-9,10-dione",""],["274","(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE","C28 H30 Cl N5 O4 S","O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C;CN1CCN(CC1)C(=O)c2c(C)[nH]c(C=C3C(=O)Nc4ccc(cc34)[S](=O)(=O)N(C)c5cccc(Cl)c5)c2C;Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)C=C3c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl","InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-","MET KINASE INHIBITOR","2006-10-17","2021-03-01","(3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide",""],["MNZ","(4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid","C20 H28 O4","C[CH]1C[CH](O)[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3;CC1CC(C2(C(C1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O","InChI=1S/C20H28O4/c1-13-11-17(21)20(3)15(18(22)23)5-4-6-16(20)19(13,2)9-7-14-8-10-24-12-14/h5,8,10,12-13,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t13-,16-,17+,19+,20+/m1/s1","","2019-10-18","2020-03-13","(4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid","2020-03-18"],["275","5-amino-1,2-dimethylpyridinium","C7 H11 N2","Nc1c[n+](c(cc1)C)C;Cc1ccc(N)c[n+]1C;Cc1ccc(c[n+]1C)N","InChI=1S/C7H11N2/c1-6-3-4-7(8)5-9(6)2/h3-5H,8H2,1-2H3/q+1","","2007-10-17","2011-06-04","5-amino-1,2-dimethylpyridinium",""],["MO","MOLYBDENUM ATOM","Mo","[Mo];[Mo];[Mo]","InChI=1S/Mo","","1999-07-08","2011-06-04","molybdenum",""],["276","4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide","C21 H15 Cl F3 N5 O2","FC(F)(F)c1cc(ccc1Cl)Nc4nc3ccc(Oc2ccnc(C(=O)NC)c2)cc3n4;CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1;CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl","InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)","","2007-08-09","2011-06-04","4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-6-yl)oxy]-N-methylpyridine-2-carboxamide",""],["277","N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE","C17 H30 F N3 O2","FC2CCN(C(=O)C(N)C(C)C1CCC(N(C(=O)C)C)CC1)C2;C[CH]([CH](N)C(=O)N1CC[CH](F)C1)[CH]2CC[CH](CC2)N(C)C(C)=O;CC(C1CCC(CC1)N(C)C(=O)C)C(C(=O)N2CCC(C2)F)N","InChI=1S/C17H30FN3O2/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22/h11,13-16H,4-10,19H2,1-3H3/t11-,13-,14-,15-,16-/m0/s1","","2007-04-13","2011-06-04","N-(trans-4-{(1S,2S)-2-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-N-methylacetamide",""],["MO0","mannopine","C11 H22 N2 O8","NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O;C(CC(=O)N)C(C(=O)O)NCC(C(C(C(CO)O)O)O)O","InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1","","2016-06-12","2016-09-16","(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanoic acid","2016-09-21"],["MO1","MAGNESIUM ION, 1 WATER COORDINATED","H2 Mg O","O|[Mg++];[OH2][Mg+2]","InChI=1/Mg.H2O/h;1H2/q+2;/rH2MgO/c1-2/h2H2/q+2","","1999-07-08","2008-10-14","",""],["278","1-(1-methyl-1H-pyrrol-2-yl)methanamine","C6 H10 N2","NCc1cccn1C;Cn1cccc1CN;Cn1cccc1CN","InChI=1S/C6H10N2/c1-8-4-2-3-6(8)5-7/h2-4H,5,7H2,1H3","","2007-10-17","2011-06-04","1-(1-methyl-1H-pyrrol-2-yl)methanamine",""],["MO2","MAGNESIUM ION, 2 WATERS COORDINATED","H4 Mg O2","O|[Mg++]|O;[OH2][Mg+2][OH2]","InChI=1/Mg.2H2O/h;2*1H2/q+2;;/rH4MgO2/c2-1-3/h2-3H2/q+2","","1999-07-08","2008-10-14","",""],["279","N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","C19 H22 N6 O3","O=C(NOC)c1cc(c(cc1)C)Nc2ncnn3c2c(c(c3)C(=O)NCC)C;CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C;CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC","InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23)","","2007-10-25","2011-06-04","N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",""],["MO3","MAGNESIUM ION, 3 WATERS COORDINATED","H6 Mg O3","O|[Mg++](|O)|O;[OH2][Mg+2]([OH2])[OH2]","InChI=1/Mg.3H2O/h;3*1H2/q+2;;;/rH6MgO3/c2-1(3)4/h2-4H2/q+2","","1999-07-08","2008-10-14","",""],["27A","(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide","C13 H19 N5 S","S=C(/N=NCc2c(N1CCN(C)CC1)cccc2)N;CN1CCN(CC1)c2ccccc2CN=NC(N)=S;CN1CCN(CC1)c2ccccc2CN=NC(=S)N","InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15-","","2009-03-27","2011-06-04","(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide",""],["MO4","MAGNESIUM ION, 4 WATERS COORDINATED","H8 Mg O4","O|[Mg++](|O)(|O)|O;[OH2][Mg+2]([OH2])([OH2])[OH2]","InChI=1/Mg.4H2O/h;4*1H2/q+2;;;;/rH8MgO4/c2-1(3,4)5/h2-5H2/q+2","","1999-07-08","2008-10-14","",""],["27B","1-bromonaphthalene-2-carboxylic acid","C11 H7 Br O2","O=C(O)c2ccc1ccccc1c2Br;OC(=O)c1ccc2ccccc2c1Br;c1ccc2c(c1)ccc(c2Br)C(=O)O","InChI=1S/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)","","2013-04-29","2013-09-13","1-bromonaphthalene-2-carboxylic acid","2013-09-18"],["MO5","MAGNESIUM ION, 5 WATERS COORDINATED","H10 Mg O5","O|[Mg++](|O)(|O)(|O)|O;[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2]","InChI=1/Mg.5H2O/h;5*1H2/q+2;;;;;/rH10MgO5/c2-1(3,4,5)6/h2-6H2/q+2","","1999-07-08","2008-10-14","",""],["27C","5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose","C9 H18 F O7 P","FC1C(O)C(OC1O)COP(=O)(OCCCC)O;CCCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](F)[CH]1O;CCCCOP(=O)(O)OCC1C(C(C(O1)O)F)O","InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1","Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;\n5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinose;\n5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-D-arabinose;\n5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-arabinose","2011-05-11","2024-09-27","5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose",""],["27D","1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone","C23 H19 F N6 O","Fc1c(ccc2c1ccn2C(=O)Cc3nc(ccc3)C)c5c4c(ncnc4n(c5)C)N;Cn1cc(c2ccc3n(ccc3c2F)C(=O)Cc4cccc(C)n4)c5c(N)ncnc15;Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C","InChI=1S/C23H19FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-9,11-12H,10H2,1-2H3,(H2,25,26,27)","","2013-09-05","2014-08-29","1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone","2014-09-03"],["MO6","MAGNESIUM ION, 6 WATERS COORDINATED","H12 Mg O6","O|[Mg++](|O)(|O)(|O)(|O)|O;[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/Mg.6H2O/h;6*1H2/q+2;;;;;;/rH12MgO6/c2-1(3,4,5,6)7/h2-7H2/q+2","","1999-07-08","2008-10-14","",""],["MO7","bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI)","Mo7 O24","[O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389;[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]","InChI=1S/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;6*-1","HEPTAMOLYBDATE [Mo(VI)7O24]6-","2003-04-15","2020-06-17","",""],["27E","chlordecone","C10 Cl10 O","O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl;ClC1(Cl)C2(Cl)[C]3(Cl)C4(Cl)C(=O)C5(Cl)[C]3(Cl)C1(Cl)[C]5(Cl)[C]24Cl;C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5+,6+,7-,8+,9-","(1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one","2013-09-05","2020-06-17","(1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one","2014-09-03"],["MO8","4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine","C8 H11 N3 S","n1c(c2c(nc1N)CCSC2)C;Cc1nc(N)nc2CCSCc12;Cc1c2c(nc(n1)N)CCSC2","InChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)","","2009-01-13","2011-06-04","4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine",""],["27F","4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE","C15 H9 N3 O","N#Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3;O=C1NC(=Nc2ccccc12)c3ccc(cc3)C#N;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N","InChI=1S/C15H9N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,(H,17,18,19)","","2013-06-20","2014-09-05","4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzonitrile","2013-10-30"],["MO9","(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE","C18 H21 F2 N3 O7 S","O=C(OC(C(=O)NCC#N)CS(=O)(=O)Cc1ccccc1OC(F)F)N2CCOCC2;FC(F)Oc1ccccc1C[S](=O)(=O)C[CH](OC(=O)N2CCOCC2)C(=O)NCC#N;c1ccc(c(c1)CS(=O)(=O)CC(C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F","InChI=1S/C18H21F2N3O7S/c19-17(20)29-14-4-2-1-3-13(14)11-31(26,27)12-15(16(24)22-6-5-21)30-18(25)23-7-9-28-10-8-23/h1-4,15,17H,6-12H2,(H,22,24)/t15-/m0/s1","","2006-03-21","2011-06-04","(1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate",""],["27G","benzyl butyl benzene-1,2-dicarboxylate","C19 H20 O4","O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC;CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2;CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2","InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3","","2013-09-05","2014-08-29","benzyl butyl benzene-1,2-dicarboxylate","2014-09-03"],["MOA","MYCOPHENOLIC ACID","C17 H20 O6","O=C1OCc2c1c(O)c(c(OC)c2C)CC=C(/C)CCC(=O)O;COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(O)=O;Cc1c2c(c(c(c1OC)CC=C(C)CCC(=O)O)O)C(=O)OC2","InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+","6-(1,3-DIHYDRO-7-HYDROXY-5-METHOXY-4-METHYL-1-OXOISOBENZOFURAN-6-YL)-4-METHYL-4-HEXANOIC ACID","2001-08-10","2021-03-13","(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid",""],["27H","ferutinine","C22 H30 O4","O=C(OC1C2C(CC=C(C)C1)(CCC2(O)C(C)C)C)c3ccc(O)cc3;CC(C)[C]1(O)CC[C]2(C)CC=C(C)C[CH](OC(=O)c3ccc(O)cc3)[CH]12;CC1=CCC2(CCC(C2C(C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C","InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1","(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate","2013-09-05","2020-06-17","(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate","2014-09-03"],["MOB","2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","C15 H14 N2 O5","O=C(O)c2ccccc2/N=N/c1cc(OC)c(O)c(OC)c1;COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O;COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O","InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+","","1999-07-08","2011-06-04","2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]benzoic acid",""],["27I","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide","C16 H23 N9 O","Cn1cc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N;Cn1cc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3","InChI=1S/C16H23N9O/c1-24-9-10(8-20-24)11-14(25-6-4-2-3-5-7-25)22-13(17)12(21-11)15(26)23-16(18)19/h8-9H,2-7H2,1H3,(H2,17,22)(H4,18,19,23,26)","","2018-02-15","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide","2018-12-19"],["27J","alpha-zearalanol","C18 H26 O5","O=C1OC(CCCC(O)CCCCCc2cc(O)cc(O)c12)C;C[CH]1CCC[CH](O)CCCCCc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(CCCCCc2cc(cc(c2C(=O)O1)O)O)O","InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1","(3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one","2013-09-05","2021-03-13","(3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one","2014-09-03"],["MOC","CARBAMIC ACID 2,6-DIAMINO-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER","C14 H16 N4 O4","O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(N)C3)COC(=O)N;CC1=C(N)C(=O)c2c(COC(N)=O)c3C[CH](N)Cn3c2C1=O;CC1=C(C(=O)c2c(c3n(c2C1=O)CC(C3)N)COC(=O)N)N","InChI=1S/C14H16N4O4/c1-5-10(16)13(20)9-7(4-22-14(17)21)8-2-6(15)3-18(8)11(9)12(5)19/h6H,2-4,15-16H2,1H3,(H2,17,21)/t6-/m1/s1","","1999-07-08","2011-06-04","[(2R)-2,7-diamino-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate",""],["MOD","L-METHIONYL ADENYLATE","C15 H27 N6 O7 P S","O=P(O)(OCC(N)CCSC)OCC3OC(N2C=NC1=C(N)NC=NC12)C(O)C3O;CSCC[CH](N)CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(N)NC=N[CH]23;CSCCC(COP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(NC=NC32)N)O)O)N","InChI=1S/C15H27N6O7PS/c1-30-3-2-8(16)4-26-29(24,25)27-5-9-11(22)12(23)15(28-9)21-7-20-10-13(17)18-6-19-14(10)21/h6-9,11-12,14-15,22-23H,2-5,16-17H2,1H3,(H,18,19)(H,24,25)/t8-,9+,11+,12+,14?,15+/m0/s1","","2003-05-30","2011-06-04","5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butyl]oxy}(hydroxy)phosphoryl]adenosine",""],["27K","butyl 4-hydroxybenzoate","C11 H14 O3","O=C(OCCCC)c1ccc(O)cc1;CCCCOC(=O)c1ccc(O)cc1;CCCCOC(=O)c1ccc(cc1)O","InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3","","2013-09-05","2014-08-29","butyl 4-hydroxybenzoate","2014-09-03"],["27L","4-(2,4,4-trimethylpentan-2-yl)phenol","C14 H22 O","Oc1ccc(cc1)C(CC(C)(C)C)(C)C;CC(C)(C)CC(C)(C)c1ccc(O)cc1;CC(C)(C)CC(C)(C)c1ccc(cc1)O","InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3","","2013-09-05","2014-08-29","4-(2,4,4-trimethylpentan-2-yl)phenol","2014-09-03"],["MOE","METHOXY-ETHOXYL","C3 H7 O2","[O-]CCOC;COCC[O-];COCC[O-]","InChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3/q-1","","1999-07-08","2011-06-04","2-methoxyethanolate",""],["MOF","MOMETASONE FUROATE","C27 H30 Cl2 O6","ClCC(=O)C5(OC(=O)c1occc1)C4(C)CC(O)C3(Cl)C2(C=CC(=O)C=C2CCC3C4CC5C)C;C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(Cl)[CH](O)C[C]2(C)[C]1(OC(=O)c5occc5)C(=O)CCl;CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C","InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1","","2004-03-26","2011-06-04","(9beta,10alpha,11alpha,14beta,16alpha,17alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate",""],["27M","bis(2,4-dihydroxyphenyl)methanone","C13 H10 O5","O=C(c1ccc(O)cc1O)c2ccc(O)cc2O;Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O;c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O","InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H","","2013-09-05","2014-08-29","bis(2,4-dihydroxyphenyl)methanone","2014-09-03"],["27N","4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol","C14 H11 Cl3 O2","ClC(Cl)(Cl)C(c1ccc(O)cc1)c2ccc(O)cc2;Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl;c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O","InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H","","2013-09-05","2014-08-29","4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol","2014-09-03"],["MOG","5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE","C6 H6 N4 O2","O=C2NC(=Nc1oc(nc12)C)N;Cc1oc2N=C(N)NC(=O)c2n1;Cc1nc2c(o1)N=C(NC2=O)N","InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11)","8-METHYL-9-OXOGUANINE","2001-05-09","2021-03-01","5-amino-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one",""],["MOH","METHANOL","C H4 O","OC;CO;CO","InChI=1S/CH4O/c1-2/h2H,1H3","","1999-07-08","2024-09-27","methanol",""],["27O","(2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid","C19 H22 O2","O=C(O)C(c2ccc(c1ccccc12)C3CCCCC3)C;C[CH](C(O)=O)c1ccc(C2CCCCC2)c3ccccc13;CC(c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O","InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m1/s1","(R)-Vedaprofen","2013-09-05","2020-06-17","(2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid","2013-09-18"],["MOI","(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL","C17 H19 N O3","OC2C=CC5C4N(CCC51c3c(OC12)c(O)ccc3C4)C;CN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[CH]2C=C[CH]4O)c35;CN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O","InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1","MORPHINE; (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL; MORPHIUM; MORPHIA; DOLCONTIN; DUROMORPH; MORPHINA; NEPENTHE","2003-07-29","2020-05-27","(5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol",""],["27P","1-[2-(4-benzylphenoxy)ethyl]pyrrolidine","C19 H23 N O","O(c1ccc(cc1)Cc2ccccc2)CCN3CCCC3;C1CCN(C1)CCOc2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3","InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2","","2008-12-11","2011-06-04","1-[2-(4-benzylphenoxy)ethyl]pyrrolidine",""],["MOJ","(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime","C20 H18 F N5 O","Fc2ccc(c(c1cccnc1)c2)C3Cc4nc(nc(c4C(=NO)C3)C)N;Cc1nc(N)nc2C[CH](CC(=NO)c12)c3ccc(F)cc3c4cccnc4;Cc1c2c(nc(n1)N)CC(CC2=NO)c3ccc(cc3c4cccnc4)F","InChI=1S/C20H18FN5O/c1-11-19-17(25-20(22)24-11)7-13(8-18(19)26-27)15-5-4-14(21)9-16(15)12-3-2-6-23-10-12/h2-6,9-10,13,27H,7-8H2,1H3,(H2,22,24,25)/b26-18+/t13-/m0/s1","","2009-01-13","2011-06-04","(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime",""],["27Q","N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C16 H33 N2 O7 P","O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCCCC)(C)C)(O)O;CCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C16H33N2O7P/c1-4-5-6-7-8-10-17-13(19)9-11-18-15(21)14(20)16(2,3)12-25-26(22,23)24/h14,20H,4-12H2,1-3H3,(H,17,19)(H,18,21)(H2,22,23,24)/t14-/m0/s1","","2013-09-05","2014-08-29","N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2014-09-03"],["MOK","5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid","C11 H9 N O3","O=C(O)c2c(onc2c1ccccc1)C;Cc1onc(c2ccccc2)c1C(O)=O;Cc1c(c(no1)c2ccccc2)C(=O)O","InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)","","2012-03-28","2013-01-25","5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid","2013-01-25"],["27R","[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid","C15 H12 Br N O3","O=C(c1ccc(Br)cc1)c2cccc(c2N)CC(=O)O;Nc1c(CC(O)=O)cccc1C(=O)c2ccc(Br)cc2;c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O","InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)","Bromfenac","2013-09-05","2021-03-01","[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid","2013-09-18"],["27S","(5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid","C16 H23 N3 O5 S","O=C(O)C2=CC1(SC(=NC1=O)N)C(NC(=O)C)C(OC(CC)CC)C2;CCC(CC)O[CH]1CC(=C[C]2(SC(=NC2=O)N)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1CC(=CC2(C1NC(=O)C)C(=O)N=C(S2)N)C(=O)O","InChI=1S/C16H23N3O5S/c1-4-10(5-2)24-11-6-9(13(21)22)7-16(12(11)18-8(3)20)14(23)19-15(17)25-16/h7,10-12H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H2,17,19,23)/t11-,12+,16-/m1/s1","","2013-09-06","2014-01-10","(5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid","2014-01-15"],["MOL","3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE","C15 H19 N3 O2","O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3;N[C]1(CCN2CC[CH](C=O)N2C1=O)Cc3ccccc3;c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C=O)N","InChI=1/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1","","1999-07-08","2008-10-14","(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde",""],["MOM","HYDROXY(DIOXO)MOLYBDENUM","H Mo O3","O=[Mo](=O)O;O[Mo](=O)=O;O[Mo](=O)=O","InChI=1S/Mo.H2O.2O/h;1H2;;/q+1;;;/p-1","","2005-11-22","2011-06-04","hydroxy(dioxo)molybdenum",""],["27U","N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide","C22 H26 N4 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCc2ccccc2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCc3ccccc3)cc1;c1ccc(cc1)CCC(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1","","2008-02-11","2011-11-17","N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide",""],["27V","(2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid","C16 H23 N3 O5 S","O=C(O)C2=CC1(SC(=[N@H])NC1=O)C(NC(=O)C)C(OC(CC)CC)C2;CCC(CC)O[CH]1CC(=C[C]2(SC(=N)NC2=O)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1CC(=CC2(C1NC(=O)C)C(=O)NC(=N)S2)C(=O)O","InChI=1S/C16H23N3O5S/c1-4-10(5-2)24-11-6-9(13(21)22)7-16(12(11)18-8(3)20)14(23)19-15(17)25-16/h7,10-12H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H2,17,19,23)/t11-,12+,16+/m1/s1","","2013-09-06","2014-01-10","(2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid","2014-01-15"],["MON","4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL","C24 H29 Cl N6 O S","Clc1ccc(cc1)CCCSc2nc(nc(n2)NCCc3ccc(O)cc3)N4CCNCC4;Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(n2)N4CCNCC4)cc1;c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O","InChI=1S/C24H29ClN6OS/c25-20-7-3-18(4-8-20)2-1-17-33-24-29-22(27-12-11-19-5-9-21(32)10-6-19)28-23(30-24)31-15-13-26-14-16-31/h3-10,26,32H,1-2,11-17H2,(H,27,28,29,30)","","2002-12-10","2011-06-04","4-{2-[(4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]ethyl}phenol",""],["MOO","MOLYBDATE ION","Mo O4","[O-][Mo]([O-])(=O)=O;[O-][Mo]([O-])(=O)=O;[O-][Mo](=O)(=O)[O-]","InChI=1S/Mo.4O/q;;;2*-1","MOLYBDATE","1999-07-08","2021-03-01","dioxido(dioxo)molybdenum",""],["27W","(3R,4S,5S)-5-amino-3,7-dimethyloctan-4-ol","C10 H23 N O","OC(C(CC)C)C(N)CC(C)C;CC[CH](C)[CH](O)[CH](N)CC(C)C;CCC(C)C(C(CC(C)C)N)O","InChI=1S/C10H23NO/c1-5-8(4)10(12)9(11)6-7(2)3/h7-10,12H,5-6,11H2,1-4H3/t8-,9+,10+/m1/s1","","2013-09-06","2014-06-27","(3R,4S,5S)-5-amino-3,7-dimethyloctan-4-ol","2014-07-02"],["27X","AMMOSAMIDE 272","C13 H12 N4 O3","O=C(OC)c2nc1c(cc(N)c3c1c(c2)C(=O)N3C)N;COC(=O)c1cc2C(=O)N(C)c3c(N)cc(N)c(n1)c23;CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N","InChI=1S/C13H12N4O3/c1-17-11-7(15)4-6(14)10-9(11)5(12(17)18)3-8(16-10)13(19)20-2/h3-4H,14-15H2,1-2H3","","2012-01-05","2014-09-05","methyl 6,8-diamino-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxylate","2013-01-11"],["MOP","4-METHYLPENTANAL","C6 H12 O","O=CCCC(C)C;CC(C)CCC=O;CC(C)CCC=O","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3","","1999-07-08","2011-06-04","4-methylpentanal",""],["MOR","morpholine-4-carboxylic acid","C5 H9 N O3","O=C(O)N1CCOCC1;OC(=O)N1CCOCC1;C1COCCN1C(=O)O","InChI=1S/C5H9NO3/c7-5(8)6-1-3-9-4-2-6/h1-4H2,(H,7,8)","","1999-07-08","2011-06-04","morpholine-4-carboxylic acid",""],["27Y","5-bromo-3-hydroxypyridin-2(1H)-one","C5 H4 Br N O2","BrC1=CNC(=O)C(O)=C1;OC1=CC(=CNC1=O)Br;C1=C(C(=O)NC=C1Br)O","InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)","","2013-09-06","2013-09-20","5-bromo-3-hydroxypyridin-2(1H)-one","2013-09-25"],["MOS","DIOXOTHIOMOLYBDENUM(VI) ION","H Mo O2 S","O=[Mo](=O)S;S[Mo](=O)=O;O=[Mo](=O)S","InChI=1S/Mo.2O.H2S/h;;;1H2/q+1;;;/p-1","","2000-08-31","2011-06-04","dioxo(sulfanyl)molybdenum",""],["27Z","4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","C10 H11 N5 O3 S2","O=S(=O)(N)c2ccc(Nc1nc(c(s1)C(=O)N)N)cc2;NC(=O)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1N;c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N","InChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)","","2011-04-28","2012-10-26","4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","2012-10-26"],["MOT","N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE","C20 H22 N6 O6","O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2c3c(nc(nc3oc2)N)N)CCC(=O)O;CN(Cc1coc2nc(N)nc(N)c12)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid",""],["280","1-methyl-1H-imidazole-5-carbaldehyde","C5 H6 N2 O","O=Cc1cncn1C;Cn1cncc1C=O;Cn1cncc1C=O","InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3","","2007-10-24","2011-06-04","1-methyl-1H-imidazole-5-carbaldehyde",""],["281","(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID","C20 H25 N4 O6 P S2","O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NS(=O)(=O)c2cccc3nsnc23)C(C)C;CC(C)[CH](N[S](=O)(=O)c1cccc2nsnc12)[P](O)(=O)C[CH](C(O)=O)c3cccc(CN)c3;CC(C)C(NS(=O)(=O)c1cccc2c1nsn2)P(=O)(CC(c3cccc(c3)CN)C(=O)O)O","InChI=1S/C20H25N4O6PS2/c1-12(2)19(24-33(29,30)17-8-4-7-16-18(17)23-32-22-16)31(27,28)11-15(20(25)26)14-6-3-5-13(9-14)10-21/h3-9,12,15,19,24H,10-11,21H2,1-2H3,(H,25,26)(H,27,28)/t15-,19+/m0/s1","","2007-04-26","2011-06-04","(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid",""],["MOU","(1S,4R,5R,9S,11S)-2-({[(2S,5R,6R,7R,9S,10R)-2-(7-CARBOXYHEPTYL)-6-HYDROXY-10-METHOXY-9-METHYL-3-OXO-1,4,8-TRIOXASPIRO[4\n.5]DEC-7-YL]OXY}METHYL)-9-FORMYL-13-ISOPROPYL-5-METHYLTETRACYCLO[7.4.0.02,11.04.8]TRIDEC-12-ENE-1-CARBOXYLIC ACID","C37 H54 O12","O=CC41CC2C=C(C(C)C)C1(C(=O)O)C2(CC3C(C)CCC34)COC6OC(C)C(OC)C5(OC(=O)C(O5)CCCCCCCC(=O)O)C6O;CO[CH]1[CH](C)O[CH](OC[C]23C[CH]4[CH](C)CC[CH]4[C]5(C[CH]2C=C(C(C)C)[C]35C(O)=O)C=O)[CH](O)[C]16O[CH](CCCCCCCC(O)=O)C(=O)O6;CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5C(C6(C(C(O5)C)OC)OC(C(=O)O6)CCCCCCCC(=O)O)O","InChI=1S/C37H54O12/c1-20(2)26-15-23-16-34(18-38)25-14-13-21(3)24(25)17-35(23,36(26,34)33(43)44)19-46-32-29(41)37(30(45-5)22(4)47-32)48-27(31(42)49-37)11-9-7-6-8-10-12-28(39)40/h15,18,20-25,27,29-30,32,41H,6-14,16-17,19H2,1-5H3,(H,39,40)(H,43,44)/t21-,22-,23+,24-,25-,27+,29-,30-,32-,34+,35+,36+,37-/m1/s1","MORINIAFUNGIN","2006-11-02","2020-06-17","(1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-9-formyl-5-methyl-13-(1-methylethyl)tetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid (non-preferred name)",""],["MOV","AMG 510 (bound form)","C30 H32 F2 N6 O3","CC1N(CCN(C1)C(=O)CC)C3=NC(=O)N(c2c(nccc2C)C(C)C)c4c3cc(F)c(n4)c5c(F)cccc5O;CCC(=O)N1CCN([CH](C)C1)C2=NC(=O)N(c3nc(c(F)cc23)c4c(O)cccc4F)c5c(C)ccnc5C(C)C;CCC(=O)N1CCN(C(C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C","InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h7-11,14,16,18,39H,6,12-13,15H2,1-5H3/t18-/m0/s1","6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one","2019-04-10","2024-09-27","6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one","2019-11-06"],["282","3-methoxypyridine","C6 H7 N O","O(c1cccnc1)C;COc1cccnc1;COc1cccnc1","InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3","","2007-10-24","2011-06-04","3-methoxypyridine",""],["283","(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL","C14 H17 N O3 S2","O=S(=O)(c1ccc(OCC#CC)cc1)N2CCC(S)C2;CC#CCOc1ccc(cc1)[S](=O)(=O)N2CC[CH](S)C2;CC#CCOc1ccc(cc1)S(=O)(=O)N2CCC(C2)S","InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1","","2007-02-09","2011-06-04","(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol",""],["MOW","Oxo(sulfanyl)molybdenum(IV) ION","H Mo O S","O=[Mo]S;S[Mo]=O;O=[Mo]S","InChI=1S/Mo.O.H2S/h;;1H2/q+1;;/p-1","","2008-09-24","2011-06-04","oxo(sulfanyl)molybdenum",""],["284","(4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine","C6 H12 N2","NC1=CC(C)CCN1;C[CH]1CCNC(=C1)N;CC1CCNC(=C1)N","InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3,7H2,1H3/t5-/m0/s1","","2007-10-24","2011-06-04","(4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine",""],["MOX","(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid","C18 H18 N2 O9","O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O;CO[C](NC(=O)[CH](C(O)=O)c1ccc(O)cc1)(C=O)[CH]2OCC(=C)C(=N2)C(O)=O;COC(C=O)(C1N=C(C(=C)CO1)C(=O)O)NC(=O)C(c2ccc(cc2)O)C(=O)O","InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1","MOXALACTAM DERIVATIVE (open form)","2000-08-11","2024-09-27","(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid",""],["MOY","[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE","C19 H18 N2 O2 S","S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(=O)c3ccccc3;CN1C(=C([CH](NC1=S)c2cccc(O)c2)C(=O)c3ccccc3)C;CC1=C(C(NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3","InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1","","2006-09-22","2011-06-04","[(4R)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone",""],["285","(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine","C6 H13 N O","O1C(C)C(NC1C)C;C[CH]1N[CH](C)[CH](C)O1;CC1C(OC(N1)C)C","InChI=1S/C6H13NO/c1-4-5(2)8-6(3)7-4/h4-7H,1-3H3/t4-,5-,6-/m1/s1","","2007-10-24","2011-06-04","(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine",""],["MOZ","(2Z)-2-amino-3-hydroxybut-2-enoic acid","C4 H7 N O3","O=C(O)C(=C(O)C)N;CC(O)=C(N)C(O)=O;CC(=C(C(=O)O)N)O","InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2-","","2013-10-10","2024-09-27","(2Z)-2-amino-3-hydroxybut-2-enoic acid","2014-12-10"],["286","2-ethenyl-1-methylpyridinium","C8 H10 N","C=Cc1[n+](cccc1)C;C[n+]1ccccc1C=C;C[n+]1ccccc1C=C","InChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1","","2007-10-24","2011-06-04","2-ethenyl-1-methylpyridinium",""],["MP0","(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-(2-methylpropyl)hexanamide","C17 H34 N2 O2","O=C(NC)C(CC(C)C)CC(O)C(N)CC1CCCCC1;CNC(=O)[CH](CC(C)C)C[CH](O)[CH](N)CC1CCCCC1;CC(C)CC(CC(C(CC1CCCCC1)N)O)C(=O)NC","InChI=1S/C17H34N2O2/c1-12(2)9-14(17(21)19-3)11-16(20)15(18)10-13-7-5-4-6-8-13/h12-16,20H,4-11,18H2,1-3H3,(H,19,21)/t14-,15+,16+/m1/s1","","2010-11-10","2012-01-13","(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-(2-methylpropyl)hexanamide",""],["287","4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","C25 H26 N6 O3","O=C(NOC)c1cc(c(cc1)C)Nc2ncnn3c2c(c(c3)C(=O)NC(c4ccccc4)C)C;CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[CH](C)c4ccccc4)c(C)c23)c1;Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)C(=O)NOC","InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1","","2007-10-25","2011-06-04","4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",""],["MP1","N-METHYLMESOPORPHYRIN CONTAINING COPPER","C35 H39 Cu N4 O4","CCC1=C(C)C2=Cc3n(C)c(C=C4N=C(C=C5[N]([Cu])C(=CC1=N2)C(=C5CCC(O)=O)C)C(=C4C)CCC(O)=O)c(C)c3CC;CCC1=C(C2=CC3=C(C(=C4[N]3([Cu]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C","InChI=1S/C35H40N4O4.Cu/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28;/h14-17H,8-13H2,1-7H3,(H3,36,37,38,40,41,42,43);/q;+1/p-1/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-;","","1999-09-07","2023-09-23","",""],["288","5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE","C18 H24 Cl N3 O3","Clc1cc2c(cc1)nc(c2)C(=O)NCC(O)N(C3CCCC3)CCO;OCCN([CH](O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1)C3CCCC3;c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O","InChI=1S/C18H24ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,17,21,23-24H,1-4,7-8,11H2,(H,20,25)/t17-/m1/s1","","2004-10-21","2011-06-04","5-chloro-N-{(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl}-1H-indole-2-carboxamide",""],["MP2","N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE","C13 H16 N2 O5 S","O=C(O)CNC(=O)C(NC(=O)OCc1ccccc1)CS;OC(=O)CNC(=O)[CH](CS)NC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)NC(CS)C(=O)NCC(=O)O","InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1","N-CARBOBENZOXY-CYSTEINYL-GLYCINE","2006-02-02","2020-06-17","N-[(benzyloxy)carbonyl]-L-cysteinylglycine",""],["289","D-glycero-alpha-D-manno-heptopyranose","C7 H14 O7","OC1C(O)C(OC(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(C(O1)O)O)O)O)O)O","InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1","D-glycero-alpha-D-manno-heptose; D-glycero-D-manno-heptose; D-glycero-manno-heptose","2007-11-09","2024-09-27","D-glycero-alpha-D-manno-heptopyranose",""],["MP3","3-PHOSPHOGLYCERIC ACID","C3 H7 O7 P","O=P(O)(O)OCC(O)C(=O)O;O[CH](CO[P](O)(O)=O)C(O)=O;C(C(C(=O)O)O)OP(=O)(O)O","InChI=1/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1/f/h5,7-8H","","1999-07-08","2008-10-14","(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid",""],["28A","3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one","C12 H11 N O3","O=C2N=C(c1cccc(OC)c1)CC=C2O;COc1cccc(c1)C2=NC(=O)C(=CC2)O;COc1cccc(c1)C2=NC(=O)C(=CC2)O","InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(7-9)10-5-6-11(14)12(15)13-10/h2-4,6-7,14H,5H2,1H3","","2013-09-06","2013-09-20","3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one","2013-09-25"],["28B","3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile","C12 H8 N2 O2","O=C2C(O)=CC(c1cccc(C#N)c1)=CN2;OC1=CC(=CNC1=O)c2cccc(c2)C#N;c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N","InChI=1S/C12H8N2O2/c13-6-8-2-1-3-9(4-8)10-5-11(15)12(16)14-7-10/h1-5,7,15H,(H,14,16)","","2013-09-06","2013-09-20","3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile","2013-09-25"],["MP4","(2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid","C9 H11 N O4","O=C(O)C(c1cc(O)c(c(O)c1)C)N;Cc1c(O)cc(cc1O)[CH](N)C(O)=O;Cc1c(cc(cc1O)C(C(=O)O)N)O","InChI=1S/C9H11NO4/c1-4-6(11)2-5(3-7(4)12)8(10)9(13)14/h2-3,8,11-12H,10H2,1H3,(H,13,14)/t8-/m0/s1","","2012-02-10","2024-09-27","(2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid",""],["MP5","(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE","C6 H10 N3 O4 P","O=P(O)(O)OCc1cnc(nc1N)C;Cc1ncc(CO[P](O)(O)=O)c(N)n1;Cc1ncc(c(n1)N)COP(=O)(O)O","InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)","","2003-12-18","2011-06-04","(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate",""],["28C","4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol","C14 H15 N5 O","n1nc2c(cc(nn2c1)C)NCCc3ccc(O)cc3;Cc1cc(NCCc2ccc(O)cc2)c3nncn3n1;Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O","InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3","","2013-09-06","2014-03-07","4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol","2014-03-12"],["MP6","4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one","C26 H29 N5 O","O=C4N=CC(=C/CC1CC1)c5nc(c3ccc(c2cnnc2)cc3c45)NC(C)C(C)(C)C;C[CH](Nc1nc2C(=CCC3CC3)C=NC(=O)c2c4cc(ccc14)c5c[nH]nc5)C(C)(C)C;CC(C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5","InChI=1S/C26H29N5O/c1-15(26(2,3)4)30-24-20-10-9-17(19-13-28-29-14-19)11-21(20)22-23(31-24)18(12-27-25(22)32)8-7-16-5-6-16/h8-16H,5-7H2,1-4H3,(H,28,29)(H,30,31)/b18-8+/t15-/m1/s1","","2010-06-08","2011-06-04","4-(2-cyclopropylethylidene)-6-{[(2R)-3,3-dimethylbutan-2-yl]amino}-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphthyridin-1(4H)-one",""],["28D","(2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile","C21 H18 N6 O3","N#C/C(n1ncnc1)=C/c2cc3c(cc2)nnc3c4cc(OC)c(OC)c(OC)c4;COc1cc(cc(OC)c1OC)c2n[nH]c3ccc(C=C(C#N)n4cncn4)cc23;COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4","InChI=1S/C21H18N6O3/c1-28-18-8-14(9-19(29-2)21(18)30-3)20-16-7-13(4-5-17(16)25-26-20)6-15(10-22)27-12-23-11-24-27/h4-9,11-12H,1-3H3,(H,25,26)","","2013-09-09","2024-09-27","(2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile","2014-10-22"],["MP7","1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide","C28 H22 F2 N4 O4","O=C5Nc4ccc(OCC(c1ccccc1)NC(=O)C2=CC=CN(C2=O)Cc3cc(F)c(F)cc3)cc4N5;Fc1ccc(CN2C=CC=C(C(=O)N[CH](COc3ccc4NC(=O)Nc4c3)c5ccccc5)C2=O)cc1F;c1ccc(cc1)C(COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F","InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1","","2010-06-08","2011-06-04","1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide",""],["28E","(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","C15 H14 O6","Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O;O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3;c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O","InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1","Epicatechin","2013-09-09","2020-06-17","(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","2013-11-27"],["MP8","(4R)-4-methyl-L-proline","C6 H11 N O2","O=C(O)C1NCC(C)C1;C[CH]1CN[CH](C1)C(O)=O;CC1CC(NC1)C(=O)O","InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1","","2009-08-18","2024-09-27","(4R)-4-methyl-L-proline",""],["28F","1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea","C18 H20 N6 O3 S","O=C(NCC)Nc1nc2cc(c(nc2s1)OCC3CCOC3)c4cncnc4;CCNC(=O)Nc1sc2nc(OC[CH]3CCOC3)c(cc2n1)c4cncnc4;CCNC(=O)Nc1nc2cc(c(nc2s1)OCC3CCOC3)c4cncnc4","InChI=1S/C18H20N6O3S/c1-2-21-17(25)24-18-22-14-5-13(12-6-19-10-20-7-12)15(23-16(14)28-18)27-9-11-3-4-26-8-11/h5-7,10-11H,2-4,8-9H2,1H3,(H2,21,22,24,25)/t11-/m1/s1","","2013-09-10","2013-10-11","1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea","2013-10-16"],["MP9","2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID","C14 H14 N6 O4","O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)Cc3ccccc3;N[CH](Cc1c(O)noc1c2nnn(Cc3ccccc3)n2)C(O)=O;c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)CC(C(=O)O)N","InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)/t10-/m0/s1","3-[5-(2-BENZYL-2H-TETRAZOL-5-YL)-3-HYDROXYISOXAZOL-4-YL]-L-ALANINE; 2-BN-TET-AMPA","2007-04-13","2020-06-17","3-[5-(2-benzyl-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl]-L-alanine",""],["28G","1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea","C21 H24 N6 O3 S","O=C(NCC=C)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4;C=CCNC(=O)Nc1sc2nc(OCCN3CCOCC3)c(cc2n1)c4cccnc4;C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4","InChI=1S/C21H24N6O3S/c1-2-5-23-20(28)26-21-24-17-13-16(15-4-3-6-22-14-15)18(25-19(17)31-21)30-12-9-27-7-10-29-11-8-27/h2-4,6,13-14H,1,5,7-12H2,(H2,23,24,26,28)","","2013-09-10","2013-10-11","1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea","2013-10-16"],["28H","(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid","C7 H14 O3","O=C(O)C(C)C(O)C(C)C;CC(C)[CH](O)[CH](C)C(O)=O;CC(C)C(C(C)C(=O)O)O","InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1","","2013-09-10","2024-09-27","(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid","2014-05-21"],["MPA","(1R)-MENTHYL HEXYL PHOSPHONATE GROUP","C16 H33 O3 P","O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC;CCCCCC[P](O)(=O)O[CH]1C[CH](C)CC[CH]1C(C)C;CCCCCCP(=O)(O)OC1CC(CCC1C(C)C)C","InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1","","1999-07-08","2024-09-27","(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate",""],["MPB","4-HYDROXY-BENZOIC ACID METHYL ESTER","C8 H8 O3","O=C(OC)c1ccc(O)cc1;COC(=O)c1ccc(O)cc1;COC(=O)c1ccc(cc1)O","InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3","","1999-07-08","2011-06-04","methyl 4-hydroxybenzoate",""],["28I","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide","C16 H21 N7 O2","NC(=N)NC(=O)c1nc(c2cocc2)c(nc1N)N3CCCCCC3;c1cocc1c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3","InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-5-8-25-9-10)14(21-13)23-6-3-1-2-4-7-23/h5,8-9H,1-4,6-7H2,(H2,17,21)(H4,18,19,22,24)","","2018-02-15","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide","2018-12-19"],["28J","D-alloisoleucine","C6 H13 N O2","O=C(O)C(N)C(C)CC;CC[CH](C)[CH](N)C(O)=O;CCC(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1","","2013-09-10","2024-09-27","D-alloisoleucine","2014-05-21"],["MPC","(1S)-MENTHYL HEXYL PHOSPHONATE GROUP","C16 H33 O3 P","O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC;CCCCCC[P](O)(=O)O[CH]1C[CH](C)CC[CH]1C(C)C;CCCCCCP(=O)(O)OC1CC(CCC1C(C)C)C","InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1","","1999-07-08","2024-09-27","(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate",""],["28K","(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid","C7 H10 O4","O=C(O)C=CC1(OC1)C(O)C;C[CH](O)[C]1(CO1)C=CC(O)=O;CC(C1(CO1)C=CC(=O)O)O","InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1","","2013-09-10","2024-09-27","(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid","2014-05-21"],["MPD","(4S)-2-METHYL-2,4-PENTANEDIOL","C6 H14 O2","OC(C)CC(O)(C)C;C[CH](O)CC(C)(C)O;CC(CC(C)(C)O)O","InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1","","1999-07-08","2011-06-04","(4S)-2-methylpentane-2,4-diol",""],["MPE","(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID","C12 H14 N2 O3 S","O=C(O)C(c2c1ccccc1nc2)NOCCS;OC(=O)[CH](NOCCS)c1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C(C(=O)O)NOCCS","InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1","","2002-07-03","2024-09-27","(2R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]ethanoic acid",""],["28L","N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide","C27 H29 N3 O5 S","O=C4N=C(OC)CC=C4c3cc(c(OC)c2c3ncc(c1ccc(NS(=O)(=O)C)cc1)c2)C(C)(C)C;COC1=NC(=O)C(=CC1)c2cc(c(OC)c3cc(cnc23)c4ccc(N[S](C)(=O)=O)cc4)C(C)(C)C;CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC","InChI=1S/C27H29N3O5S/c1-27(2,3)22-14-20(19-11-12-23(34-4)29-26(19)31)24-21(25(22)35-5)13-17(15-28-24)16-7-9-18(10-8-16)30-36(6,32)33/h7-11,13-15,30H,12H2,1-6H3","","2013-09-10","2014-05-02","N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide","2014-05-07"],["MPG","[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate","C21 H40 O4","CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO;CCCCCCCCC=CCCCCCCCCOC(=O)C(CO)O","InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1","","2000-04-14","2016-01-21","[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate",""],["28M","N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide","C25 H32 N4 O4 S","O=C1NC=CC=C1c3c2ncc(cc2c(OC)c(c3)C(C)(C)C)N4CCC(C4)CNS(=O)(=O)C;COc1c2cc(cnc2c(cc1C(C)(C)C)C3=CC=CNC3=O)N4CC[CH](CN[S](C)(=O)=O)C4;CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CCC(C3)CNS(=O)(=O)C)C4=CC=CNC4=O","InChI=1S/C25H32N4O4S/c1-25(2,3)21-12-19(18-7-6-9-26-24(18)30)22-20(23(21)33-4)11-17(14-27-22)29-10-8-16(15-29)13-28-34(5,31)32/h6-7,9,11-12,14,16,28H,8,10,13,15H2,1-5H3,(H,26,30)/t16-/m1/s1","","2013-09-10","2014-05-02","N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide","2014-05-07"],["28N","8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one","C9 H5 Br N2 O3","Brc2ccc1OCC3=NOC(=O)N3c1c2;Brc1ccc2OCC3=NOC(=O)N3c2c1;c1cc2c(cc1Br)N3C(=NOC3=O)CO2","InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2","","2011-07-12","2011-09-16","8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one",""],["MPH","(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID","C4 H12 N O3 P S","O=P(O)(O)C(N)CCSC;CSCC[CH](N)[P](O)(O)=O;CSCCC(N)P(=O)(O)O","InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1","METHIONINE PHOSPHONATE","1999-07-28","2021-03-01","[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphonic acid",""],["MPI","IMIDAZO[1,2-A]PYRIDINE","C7 H7 N2","c1cccc2[n+]1ccn2;[nH]1cc[n+]2ccccc12;c1cc[n+]2cc[nH]c2c1","InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H/p+1","","1999-07-08","2011-06-04","1H-imidazo[1,2-a]pyridin-4-ium",""],["28O","3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one","C16 H19 N O2","O=C2C(c1cc(c(OC)cc1)C(C)(C)C)=CC=CN2;COc1ccc(cc1C(C)(C)C)C2=CC=CNC2=O;CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O","InChI=1S/C16H19NO2/c1-16(2,3)13-10-11(7-8-14(13)19-4)12-6-5-9-17-15(12)18/h5-10H,1-4H3,(H,17,18)","","2013-09-10","2013-10-04","3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one","2013-10-09"],["28P","N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine","C20 H25 N O3","O=C(O)CCN(C)CCCOc1ccc(cc1)Cc2ccccc2;CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O;CN(CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O","InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)","","2008-12-12","2011-06-04","N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine",""],["MPJ","(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID","C4 H12 N O2 P S","O=P(O)C(N)CCSC;CSCC[CH](N)[PH](O)=O;CSCCC(N)P(=O)O","InChI=1S/C4H12NO2PS/c1-9-3-2-4(5)8(6)7/h4,8H,2-3,5H2,1H3,(H,6,7)/t4-/m1/s1","METHIONINE PHOSPHINATE","1999-07-28","2020-06-17","(R)-[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphinic acid",""],["MPK","(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol","C11 H11 N O2","n1oc(c(c1c2ccccc2)CO)C;Cc1onc(c1CO)c2ccccc2;Cc1c(c(no1)c2ccccc2)CO","InChI=1S/C11H11NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3","","2012-03-28","2013-01-25","(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol","2013-01-25"],["28Q","N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide","C25 H30 N2 O4 S","O=C3C(c1cc(c(OC)c(c1)CCc2ccc(NS(=O)(=O)C)cc2)C(C)(C)C)=CC=CN3;COc1c(CCc2ccc(N[S](C)(=O)=O)cc2)cc(cc1C(C)(C)C)C3=CC=CNC3=O;CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O","InChI=1S/C25H30N2O4S/c1-25(2,3)22-16-19(21-7-6-14-26-24(21)28)15-18(23(22)31-4)11-8-17-9-12-20(13-10-17)27-32(5,29)30/h6-7,9-10,12-16,27H,8,11H2,1-5H3,(H,26,28)","","2013-09-10","2013-10-04","N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide","2013-10-09"],["28R","N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide","C24 H25 N3 O5 S","O=C1NC=CC=C1c4cc(c2nc3cc(ccc3o2)NS(=O)(=O)C)c(OC)c(c4)C(C)(C)C;COc1c(cc(cc1C(C)(C)C)C2=CC=CNC2=O)c3oc4ccc(N[S](C)(=O)=O)cc4n3;CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O","InChI=1S/C24H25N3O5S/c1-24(2,3)18-12-14(16-7-6-10-25-22(16)28)11-17(21(18)31-4)23-26-19-13-15(27-33(5,29)30)8-9-20(19)32-23/h6-13,27H,1-5H3,(H,25,28)","","2013-09-10","2013-10-04","N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide","2013-10-09"],["MPL","N-METHYL-PYRIDOXAL-5'-PHOSPHATE","C9 H13 N O6 P","O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C;Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1C;Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O","InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1","","1999-07-08","2024-09-27","4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium",""],["MPM","(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID","C12 H20 N2 O8 P2","O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(C)(CC)P(=O)(O)O)C;CC[C](C)(N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)[P](O)(O)=O;CCC(C)(N=Cc1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O","InChI=1S/C12H20N2O8P2/c1-4-12(3,23(16,17)18)14-6-10-9(7-22-24(19,20)21)5-13-8(2)11(10)15/h5-6,15H,4,7H2,1-3H3,(H2,16,17,18)(H2,19,20,21)/b14-6+/t12-/m1/s1","","2002-07-09","2011-06-04","[(1R)-1-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-1-methylpropyl]phosphonic acid",""],["28S","6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine","C11 H10 Br N3","Brc2cc1c(ncnc1NCC=C)cc2;Brc1ccc2ncnc(NCC=C)c2c1;C=CCNc1c2cc(ccc2ncn1)Br","InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)","SMER28","2011-07-12","2021-03-01","6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine",""],["MPN","PHOSPHORIC ACID MONO-(2-AMINO-4-OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER","C10 H12 N5 O6 P S2","OP(=O)(O)OCC1C(=S)C(C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)=S;NC1=NC(=O)C2=C(N[CH]3O[CH](CO[P](O)(O)=O)C(=S)C(=S)[CH]3N2)N1;C(C1C(=S)C(=S)C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O","InChI=1S/C10H12N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1","","2001-08-17","2015-04-22","[(5aR,8R,9aR)-2-amino-4-oxo-6,7-dithioxo-1,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate",""],["28T","1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline","C13 H20 N2 O4","O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2;OC(=O)[CH]1CCCN1C(=O)CCC(=O)[CH]2CCCN2;C1CC(NC1)C(=O)CCC(=O)N2CCCC2C(=O)O","InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1","","2013-09-10","2014-03-07","1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline","2014-03-12"],["MPO","3[N-MORPHOLINO]PROPANE SULFONIC ACID","C7 H15 N O4 S","O=S(=O)(O)CCCN1CCOCC1;O[S](=O)(=O)CCCN1CCOCC1;C1COCCN1CCCS(=O)(=O)O","InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)","","2000-05-16","2011-06-04","3-morpholin-4-ylpropane-1-sulfonic acid",""],["28U","(3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol","C15 H26 O","OC(/C=C)(CC/C=C(/CC/C=C(C)C)C)C;CC(C)=CCCC(C)=CCC[C](C)(O)C=C;CC(=CCCC(=CCCC(C)(C=C)O)C)C","InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1","trans-Nerolidol","2013-09-10","2020-06-17","(3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol","2014-01-29"],["MPP","3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID","C11 H14 O4","O=C(O)CCc1cc(OC)c(OC)cc1;COc1ccc(CCC(O)=O)cc1OC;COc1ccc(cc1OC)CCC(=O)O","InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)","","1999-07-08","2011-06-04","3-(3,4-dimethoxyphenyl)propanoic acid",""],["28V","N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide","C24 H27 N3 O4 S","O=S(=O)(Nc1ccc(cc1)C=Cc2cc(cc(c2OC)C(C)(C)C)C=3C(=O)NN=CC=3)C;COc1c(C=Cc2ccc(N[S](C)(=O)=O)cc2)cc(cc1C(C)(C)C)C3=CC=NNC3=O;CC(C)(C)c1cc(cc(c1OC)C=Cc2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O","InChI=1S/C24H27N3O4S/c1-24(2,3)21-15-18(20-12-13-25-26-23(20)28)14-17(22(21)31-4)9-6-16-7-10-19(11-8-16)27-32(5,29)30/h6-15,27H,1-5H3,(H,26,28)/b9-6+","","2013-09-11","2013-10-04","N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide","2013-10-09"],["MPQ","N-METHYL-ALPHA-PHENYL-GLYCINE","C9 H11 N O2","O=C(O)C(NC)c1ccccc1;CN[CH](C(O)=O)c1ccccc1;CNC(c1ccccc1)C(=O)O","InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1","METHYLAMINO-PHENYL-ACETIC ACID","1999-10-15","2024-09-27","(2S)-(methylamino)(phenyl)ethanoic acid",""],["28W","3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide","C24 H28 Cl N5 O5","O=C(NO)C(NC(c2c1ccc(Cl)cc1nc2C(=O)NO)C(=O)NCc3ccccc3)CC(C)C;CC(C)C[CH](N[CH](C(=O)NCc1ccccc1)c2c([nH]c3cc(Cl)ccc23)C(=O)NO)C(=O)NO;CC(C)CC(C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3","InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20+/m0/s1","","2013-09-11","2013-11-08","3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide","2013-11-13"],["MPR","2-MERCAPTO-PROPION ALDEHYDE","C3 H6 O S","O=CCCS;SCCC=O;C(CS)C=O","InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2","","1999-07-08","2024-09-27","3-sulfanylpropanal",""],["28X","O-[(R)-{[(3R)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-L-threonine","C8 H18 N O8 P","O=C(O)C(N)C(OP(=O)(OCCC(O)CO)O)C;C[CH](O[P](O)(=O)OCC[CH](O)CO)[CH](N)C(O)=O;CC(C(C(=O)O)N)OP(=O)(O)OCCC(CO)O","InChI=1S/C8H18NO8P/c1-5(7(9)8(12)13)17-18(14,15)16-3-2-6(11)4-10/h5-7,10-11H,2-4,9H2,1H3,(H,12,13)(H,14,15)/t5-,6-,7+/m1/s1","","2013-09-11","2013-10-25","O-[(R)-{[(3R)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-L-threonine","2013-10-30"],["MPS","METHYLPHOSPHINIC ACID","C H5 O2 P","O=P(O)C;C[PH](O)=O;CP(=O)O","InChI=1/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/f/h2H","","1999-07-08","2008-10-14","(R)-methylphosphinic acid",""],["28Y","3H-imidazo[2,1-b]purin-4(5H)-one","C7 H5 N5 O","O=C3c1c(ncn1)n2c(ncc2)N3;O=C1Nc2nccn2c3nc[nH]c13;c1cn-2c(n1)NC(=O)c3c2nc[nH]3","InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13)","N2,3-ethenoguanine","2013-09-11","2021-03-13","3H-imidazo[2,1-b]purin-4(5H)-one","2014-10-15"],["28Z","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-glutamic acid","C24 H26 N8 O9","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc3nc2c(N=C(N)NC2=O)nc3)CCC(=O)O;NC1=Nc2ncc(CNc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)nc2C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N","InChI=1S/C24H26N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,10,14-15,26H,5-9H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H3,25,27,31,32,37)/t14-,15-/m0/s1","","2013-09-11","2014-06-13","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-glutamic acid","2014-06-18"],["MPT","BETA-MERCAPTOPROPIONIC ACID","C3 H6 O2 S","O=C(O)CCS;OC(=O)CCS;C(CS)C(=O)O","InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)","","2001-01-26","2024-09-27","3-sulfanylpropanoic acid",""],["MPU","D-MONAPTERIN","C9 H11 N5 O4","O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO;NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO;c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O","InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m0/s1","2-AMINO-6-((1S,2S)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE","2004-08-20","2021-03-13","2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one",""],["290","6-methyl-3,9-dihydro-2H-purin-2-one","C6 H6 N4 O","O=C2N=C(c1ncnc1N2)C;CC1=NC(=O)Nc2[nH]cnc12;CC1=NC(=O)Nc2c1nc[nH]2","InChI=1S/C6H6N4O/c1-3-4-5(8-2-7-4)10-6(11)9-3/h2H,1H3,(H2,7,8,9,10,11)","","2007-11-12","2011-06-04","6-methyl-3,9-dihydro-2H-purin-2-one",""],["MPV","1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine","C8 H9 N3 S","n1n(c(N)cc1c2sccc2)C;Cn1nc(cc1N)c2sccc2;Cn1c(cc(n1)c2cccs2)N","InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3","","2010-09-28","2011-06-04","1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine",""],["291","prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside","C11 H19 N O8","O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N;NC(=O)OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH](O)[CH]1O;C=CCOC1C(C(C(C(O1)C(COC(=O)N)O)O)O)O","InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1","prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside; prop-2-en-1-yl\n7-O-carbamoyl-L-glycero-D-manno-heptoside; prop-2-en-1-yl 7-O-carbamoyl-L-glycero-manno-heptoside","2007-11-09","2020-07-17","prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside",""],["MPW","2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine","C14 H14 N4 O","n1cccc2nc(nc12)CCc3nccc(OC)c3;COc1ccnc(CCc2[nH]c3ncccc3n2)c1;COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3","InChI=1S/C14H14N4O/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)","","2010-07-12","2011-06-17","2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine",""],["292","N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE","C18 H17 N3 O","O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4;O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4;c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4","InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)","PNU-292137 INHIBITOR","2004-05-07","2020-06-17","N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylacetamide",""],["MPX","4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE","C12 H19 N5 O2 S2","S=C(NN1CCN(CC1)C)Nc2ccc(cc2)S(=O)(=O)N;CN1CCN(CC1)NC(=S)Nc2ccc(cc2)[S](N)(=O)=O;CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)","","2005-09-13","2011-06-04","4-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzenesulfonamide",""],["293","2-deoxy-beta-L-galacto-heptopyranose","C7 H14 O6","OC1C(OC(O)CC1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)C[CH](O)[CH]1O;C1C(C(C(OC1O)C(CO)O)O)O","InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1","(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol; 2-deoxy-L-glycero-D-manno-heptose;\n2-deoxy-beta-L-galacto-heptose; 2-deoxy-L-galacto-heptose; 2-deoxy-galacto-heptose","2007-11-09","2020-07-17","2-deoxy-beta-L-galacto-heptopyranose",""],["MPY","(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE","C28 H31 N7 O2","O=C(Nc1c(cccc1CC)CC)n5cc4c(N=N/C4=N/C(=O)c2ccc(cc2)N3CCN(C)CC3)c5;CCc1cccc(CC)c1NC(=O)n2cc3N=NC(=NC(=O)c4ccc(cc4)N5CCN(C)CC5)c3c2;CCc1cccc(c1NC(=O)n2cc3c(c2)N=NC3=NC(=O)c4ccc(cc4)N5CCN(CC5)C)CC","InChI=1S/C28H31N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,37)/b30-26+","","2005-03-11","2012-01-05","(3E)-N-(2,6-diethylphenyl)-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}imino)pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide",""],["294","N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide","C19 H18 F3 N O6 S","O=S(=O)(c2ccc(Oc1ccc(cc1)C(F)(F)F)cc2)C3(C(=O)NO)CCOCC3;ONC(=O)C1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2;c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO","InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)","","2007-11-14","2011-06-04","N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide",""],["295","(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid","C9 H9 F O4","Fc1ccc(cc1)C(O)C(O)C(=O)O;O[CH]([CH](O)c1ccc(F)cc1)C(O)=O;c1cc(ccc1C(C(C(=O)O)O)O)F","InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1","","2007-11-27","2024-09-27","(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid",""],["MPZ","4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE","C28 H29 N7 O","O=C(Nc3cccc(Nc2nc(c1cccnc1)ccn2)c3)c4ccc(cc4)CN5CCN(CC5)C;CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(Nc4nccc(n4)c5cccnc5)c3;CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5","InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)","4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE","2004-12-08","2020-06-17","4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide",""],["MQ0","4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile","C24 H20 N4","N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4;c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4","InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)","","1999-07-28","2019-02-18","4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile",""],["296","(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid","C10 H11 F2 N O3","O=C(O)C(F)(F)C(c1ccc(OC)cc1)N;COc1ccc(cc1)[CH](N)C(F)(F)C(O)=O;COc1ccc(cc1)C(C(C(=O)O)(F)F)N","InChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1","","2007-11-27","2024-09-27","(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid",""],["MQ1","5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE","C15 H14 N4 O2","n3c2c(c(Oc1ccc(OC)cc1)ccc2)c(nc3N)N;COc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1;COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N","InChI=1S/C15H14N4O2/c1-20-9-5-7-10(8-6-9)21-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)","","2002-08-19","2011-06-04","5-(4-methoxyphenoxy)quinazoline-2,4-diamine",""],["297","dodecane-1,12-diamine","C12 H28 N2","NCCCCCCCCCCCCN;NCCCCCCCCCCCCN;C(CCCCCCN)CCCCCN","InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2","","2007-12-05","2011-06-04","dodecane-1,12-diamine",""],["MQ2","~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide","C25 H32 Br N3 O2","CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3ccc(Br)cc3)c1;CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br","InChI=1S/C25H32BrN3O2/c1-3-25(4-2,19-30)24(31)27-23-7-5-6-21(16-23)18-29-14-12-28(13-15-29)17-20-8-10-22(26)11-9-20/h5-11,16,19H,3-4,12-15,17-18H2,1-2H3,(H,27,31)","","2019-10-19","2024-09-27","~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide","2021-07-14"],["298","N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine","C12 H20 N2","N(=CC=CC)CCCC/N=C/C=CC;CC=CC=NCCCCN=CC=CC;CC=CC=NCCCCN=CC=CC","InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,6-4+,13-9+,14-10?","","2007-12-05","2011-06-04","N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(1Z,2E)-but-2-en-1-ylidene]butane-1,4-diamine",""],["MQ3","(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide","C15 H22 N2 O","O=C(Nc1cnccc1C)C(C)C1CCCCC1;C[CH](C1CCCCC1)C(=O)Nc2cnccc2C;Cc1ccncc1NC(=O)C(C)C2CCCCC2","InChI=1S/C15H22N2O/c1-11-8-9-16-10-14(11)17-15(18)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,17,18)/t12-/m1/s1","","2023-08-16","2023-11-03","(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["299","2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE","C9 H9 O6 P","O=P(Oc1c(cc(cc1C=O)C)C=O)(O)O;Cc1cc(C=O)c(O[P](O)(O)=O)c(C=O)c1;Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O","InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)","RU78299","2003-06-20","2024-09-27","2,6-diformyl-4-methylphenyl dihydrogen phosphate",""],["MQ4","(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid","C9 H10 F3 N O3","C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F;NC1=C(C[CH](C1)C(O)=O)[CH](C=O)C(F)(F)F;C1C(CC(=C1C(C=O)C(F)(F)F)N)C(=O)O","InChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1","","2019-04-10","2024-09-27","(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid","2019-09-18"],["29A","3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide","C21 H18 Cl F2 N3 O4","Fc1ccc(c(F)c1)COC=3N=CN(c2c(ccc(C(=O)NCCO)c2)C)C(=O)C=3Cl;Cc1ccc(cc1N2C=NC(=C(Cl)C2=O)OCc3ccc(F)cc3F)C(=O)NCCO;Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO","InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)","","2011-04-27","2011-06-10","3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide",""],["MQ6","Harringtonine","C28 H37 N O9","O=C(OC)CC(O)(CCC(C)(C)O)C(=O)OC1C2c3cc4OCOc4cc3CCN3CCCC23C=C1OC;COC(=O)C[C](O)(CCC(C)(C)O)C(=O)O[CH]1[CH]2c3cc4OCOc4cc3CCN5CCC[C]25C=C1OC;CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O","InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28+/m1/s1","(9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine","2022-03-17","2022-05-27","(9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine","2022-06-01"],["29B","4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine","C14 H10 F N3","Fc3ccc(c2cnnc2c1ccncc1)cc3;Fc1ccc(cc1)c2c[nH]nc2c3ccncc3;c1cc(ccc1c2c[nH]nc2c3ccncc3)F","InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h1-9H,(H,17,18)","","2011-04-27","2011-06-10","4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine",""],["MQ7","MENAQUINONE-7","C46 H64 O2","O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+","","1999-07-08","2011-06-04","2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-3-methylnaphthalene-1,4-dione",""],["29C","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid","C29 H33 N9 O12","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc3nc2c(N=C(N)NC2=O)nc3)CCC(=O)O;NC1=Nc2ncc(CNc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)nc2C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N","InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)/t16-,17-,18-/m0/s1","","2013-09-11","2014-06-13","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid","2014-06-18"],["MQ8","MENAQUINONE 8","C51 H72 O2","O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22+,40-24+,41-26-,42-28+,43-30+,44-32+,45-36+","2-METHYL-3-(3,7,11,15,19,23,27,31-OCTAMETHYL-DOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL)-[1,4]NAPTHOQUINONE","2000-05-18","2021-03-13","2-methyl-3-[(2E,6E,10E,14E,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]naphthalene-1,4-dione",""],["29D","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid","C34 H40 N10 O15","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc3nc2c(N=C(N)NC2=O)nc3)CCC(=O)O;NC1=Nc2ncc(CNc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)nc2C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N","InChI=1S/C34H40N10O15/c35-34-43-27-26(29(51)44-34)38-17(14-37-27)13-36-16-3-1-15(2-4-16)28(50)42-21(33(58)59)7-11-24(47)40-19(31(54)55)5-9-22(45)39-18(30(52)53)6-10-23(46)41-20(32(56)57)8-12-25(48)49/h1-4,14,18-21,36H,5-13H2,(H,39,45)(H,40,47)(H,41,46)(H,42,50)(H,48,49)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H3,35,37,43,44,51)/t18-,19-,20-,21-/m0/s1","","2013-09-11","2014-06-13","N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid","2014-06-18"],["MQ9","MENAQUINONE-9","C56 H80 O2","O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26-,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+","","2000-01-17","2011-06-04","2-methyl-3-[(2E,6E,10E,14E,18E,22E,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]naphthalene-1,4-dione",""],["29E","(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine","C18 H19 N O S","O(c1cccc2c1cccc2)C(c3sccc3)CCNC;CNCC[CH](Oc1cccc2ccccc12)c3sccc3;CNCCC(c1cccs1)Oc2cccc3c2cccc3","InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1","Duloxetine","2013-09-11","2020-04-05","(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine","2013-10-16"],["29F","2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one","C18 H18 N2 O","O=C2c3ccccc3N=C(c1ccc(cc1)C(C)(C)C)N2;CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)","","2013-06-20","2013-10-25","2-(4-tert-butylphenyl)quinazolin-4(3H)-one","2013-10-30"],["MQA","[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate","C16 H19 N3 O6","O=C1C2=C(C(=O)C(OC)=C1C)C(C4(OC)N2CC3NC34)COC(=O)N;COC1=C(C)C(=O)C2=C([CH](COC(N)=O)[C]3(OC)[CH]4N[CH]4CN23)C1=O;CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OC","InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1","Mitomycin A","2009-04-06","2021-03-01","[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate",""],["MQB","2-(1-benzofuran-3-yl)ethanoic acid","C10 H8 O3","OC(=O)Cc1coc2ccccc12;c1ccc2c(c1)c(co2)CC(=O)O","InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)","","2019-10-21","2020-08-14","2-(1-benzofuran-3-yl)ethanoic acid","2020-08-19"],["29G","pyrimido[4,5-d]pyrimidine-2,4-diamine","C6 H6 N6","n1cc2c(nc1)nc(nc2N)N;Nc1nc(N)c2cncnc2n1;c1c2c(nc(nc2ncn1)N)N","InChI=1S/C6H6N6/c7-4-3-1-9-2-10-5(3)12-6(8)11-4/h1-2H,(H4,7,8,9,10,11,12)","","2013-09-11","2014-07-11","pyrimido[4,5-d]pyrimidine-2,4-diamine","2014-07-16"],["MQC","4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide","C18 H18 N4 O","N=C(/N)c2cc1c(cc(nc1cc2)C)Nc3cccc(c3)OC;COc1cccc(Nc2cc(C)nc3ccc(cc23)C(N)=N)c1;Cc1cc(c2cc(ccc2n1)C(=N)N)Nc3cccc(c3)OC","InChI=1S/C18H18N4O/c1-11-8-17(22-13-4-3-5-14(10-13)23-2)15-9-12(18(19)20)6-7-16(15)21-11/h3-10H,1-2H3,(H3,19,20)(H,21,22)","","2019-12-17","2020-05-15","4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide","2020-05-20"],["29H","2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one","C6 H5 N5 O","O=C1c2cncnc2N=C(N)N1;NC1=Nc2ncncc2C(=O)N1;c1c2c(ncn1)N=C(NC2=O)N","InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12)","","2013-09-11","2014-07-11","2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one","2014-07-16"],["MQD","2-METHYLPENTANE-1,2,4-TRIOL","C6 H14 O3","OC(C)CC(O)(C)CO;C[CH](O)C[C](C)(O)CO;CC(CC(C)(CO)O)O","InChI=1S/C6H14O3/c1-5(8)3-6(2,9)4-7/h5,7-9H,3-4H2,1-2H3/t5-,6-/m0/s1","","2003-01-08","2011-06-04","1,3-dideoxy-4-C-methyl-D-erythro-pentitol",""],["29I","(phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate","C33 H31 Br N4 O6","CNC(=O)c1ccc2n([CH](CNC(=O)OCc3ccccc3)c4ccc(OC)c(OC)c4)c(nc2c1)c5ccc(Br)c(O)c5;CNC(=O)c1ccc2c(c1)nc(n2C(CNC(=O)OCc3ccccc3)c4ccc(c(c4)OC)OC)c5ccc(c(c5)O)Br","InChI=1S/C33H31BrN4O6/c1-35-32(40)23-10-13-26-25(15-23)37-31(22-9-12-24(34)28(39)16-22)38(26)27(21-11-14-29(42-2)30(17-21)43-3)18-36-33(41)44-19-20-7-5-4-6-8-20/h4-17,27,39H,18-19H2,1-3H3,(H,35,40)(H,36,41)/t27-/m0/s1","","2022-01-26","2022-04-22","(phenylmethyl) ~{N}-[(2~{R})-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate","2022-04-27"],["29J","4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol","C16 H25 N O2","OC2(C(c1ccc(O)cc1)CN(C)C)CCCCC2;CN(C)C[CH](c1ccc(O)cc1)C2(O)CCCCC2;CN(C)CC(c1ccc(cc1)O)C2(CCCCC2)O","InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m0/s1","","2013-09-11","2013-10-11","4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol","2013-10-16"],["MQE","2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1\n4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione","C66 H96 O2","C(C(=CCC/C(C)=C/CCC(=CCCC(=CCC/C(C)=C/CC1=C(C(c2c(C1=O)cccc2)=O)C)C)C)C)C/C=C(/CCC=C(CC/C=C(/CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+","Menaquinone 11","2018-02-02","2020-06-17","2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione","2018-05-02"],["MQF","5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid","C15 H15 F6 N O3","FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)C1CCCCC1;OC(=O)c1cc(C2CCCCC2)c(OCC(F)(F)F)nc1C(F)(F)F;c1c(c(nc(c1C(=O)O)C(F)(F)F)OCC(F)(F)F)C2CCCCC2","InChI=1S/C15H15F6NO3/c16-14(17,18)7-25-12-9(8-4-2-1-3-5-8)6-10(13(23)24)11(22-12)15(19,20)21/h6,8H,1-5,7H2,(H,23,24)","","2023-05-05","2023-06-09","5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid","2023-06-14"],["29K","(7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one","C28 H30 N4 O","O=C5c4c1c6c(nc1c3c(c2ccccc2n3CCCCN)c4C(N5)CC(C)C)cccc6;CC(C)C[CH]1NC(=O)c2c1c3c4ccccc4n(CCCCN)c3c5[nH]c6ccccc6c25;CC(C)CC1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN","InChI=1S/C28H30N4O/c1-16(2)15-20-24-23-18-10-4-6-12-21(18)32(14-8-7-13-29)27(23)26-22(25(24)28(33)31-20)17-9-3-5-11-19(17)30-26/h3-6,9-12,16,20,30H,7-8,13-15,29H2,1-2H3,(H,31,33)/t20-/m0/s1","","2013-09-11","2013-11-15","(7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one","2013-11-20"],["29L","2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol","C19 H18 N4 O2","OCCn2nc(c1ccncc1)c(c2)c4ccc3C(=NO)CCc3c4;OCCn1cc(c2ccc3c(CCC3=NO)c2)c(n1)c4ccncc4;c1cc2c(cc1c3cn(nc3c4ccncc4)CCO)CCC2=NO","InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+","","2013-09-12","2014-06-13","2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol","2014-06-18"],["MQG","2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose","C7 H16 N O7 P","C[P](O)(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CP(=O)(NC1C(C(C(OC1O)CO)O)O)O","InChI=1S/C7H16NO7P/c1-16(13,14)8-4-6(11)5(10)3(2-9)15-7(4)12/h3-7,9-12H,2H2,1H3,(H2,8,13,14)/t3-,4-,5-,6-,7-/m1/s1","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid;\n2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucose;\n2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-glucose","2016-01-19","2020-07-17","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid","2016-08-10"],["MQH","Bottromycin A2","C42 H62 N8 O7 S","COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](C(C)C)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4;CC1CCN2C1C(=O)NC(C(=O)NC(C(=NC(C(=O)NC(C(C)c3ccccc3)C(=O)NC(CC(=O)OC)c4nccs4)C(C)(C)C)NCC2=O)C(C)(C)C)C(C)C","InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30+,31+,32+,33-,34-/m1/s1","","2019-10-21","2020-07-10","methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-2,8,11-tris(oxidanylidene)-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate","2020-07-15"],["29M","N-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1H-indol-7-yl]methanesulfonamide","C28 H32 F N3 O3 S","O=S(=O)(Nc1cc(cc2c1nc(c2c3ccc(F)cc3OC)CN(Cc4ccccc4)C)C(C)C)C;COc1cc(F)ccc1c2c(CN(C)Cc3ccccc3)[nH]c4c(N[S](C)(=O)=O)cc(cc24)C(C)C;CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F","InChI=1S/C28H32FN3O3S/c1-18(2)20-13-23-27(22-12-11-21(29)15-26(22)35-4)25(17-32(3)16-19-9-7-6-8-10-19)30-28(23)24(14-20)31-36(5,33)34/h6-15,18,30-31H,16-17H2,1-5H3","","2013-09-12","2014-11-28","N-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1H-indol-7-yl]methanesulfonamide","2014-12-03"],["29N","1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one","C12 H21 N3 O3","O=C(N1CN(C(=O)CC)CN(C(=O)CC)C1)CC;CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC;CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC","InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3","1,1',1''-(1,3,5-triazinane-1,3,5-triyl)triprop-2-en-1-one, bound form","2013-09-12","2024-09-27","1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one","2014-02-05"],["MQI","8-HYDROSULFONYL-2-METHYLQUINOLINE","C10 H9 N O2 S","O=S(=O)c1cccc2cc(cnc12)C;Cc1cnc2c(cccc2[SH](=O)=O)c1;Cc1cc2cccc(c2nc1)S(=O)=O","InChI=1S/C10H9NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-6,14H,1H3","","1999-07-08","2011-06-04","8-(dioxidosulfanyl)-3-methylquinoline",""],["MQJ","2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide","C17 H13 F N2 O3 S","C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3;Fc1ccccc1C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2;c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F","InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)","","2019-04-10","2019-06-28","2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide","2019-07-03"],["29O","N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)","C12 H12 Br3 N3 O3","O=C(Nc1cc(cc(c1)NC(=O)CBr)NC(=O)CBr)CBr;BrCC(=O)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1;c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr","InChI=1S/C12H12Br3N3O3/c13-4-10(19)16-7-1-8(17-11(20)5-14)3-9(2-7)18-12(21)6-15/h1-3H,4-6H2,(H,16,19)(H,17,20)(H,18,21)","","2013-09-12","2024-09-27","N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)","2014-02-05"],["29P","3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid","C20 H24 N2 O9","O=C(O)CCc1c(nc(c1CC(=O)O)C)CC2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O;Cc1[nH]c(C[CH]2NC(=O)C(=C2CC(O)=O)CCC(O)=O)c(CCC(O)=O)c1CC(O)=O;Cc1c(c(c([nH]1)CC2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C20H24N2O9/c1-9-12(6-18(27)28)10(2-4-16(23)24)14(21-9)8-15-13(7-19(29)30)11(20(31)22-15)3-5-17(25)26/h15,21H,2-8H2,1H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t15-/m0/s1","Dipyrromethanone","2013-09-12","2024-09-27","3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid","2014-04-02"],["MQM","7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine","C18 H18 Cl2 N6","c42c(cc(c1c(Cl)cccc1Cl)c(n2)N3CC(CC3)CN)cnc(n4)N;NC[CH]1CCN(C1)c2nc3nc(N)ncc3cc2c4c(Cl)cccc4Cl;c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CCC(C4)CN)N)Cl","InChI=1S/C18H18Cl2N6/c19-13-2-1-3-14(20)15(13)12-6-11-8-23-18(22)25-16(11)24-17(12)26-5-4-10(7-21)9-26/h1-3,6,8,10H,4-5,7,9,21H2,(H2,22,23,24,25)/t10-/m0/s1","","2019-04-11","2019-07-26","7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine","2019-07-31"],["MQN","2-methylquinolin-6-amine","C10 H10 N2","n1c(ccc2cc(ccc12)N)C;Cc1ccc2cc(N)ccc2n1;Cc1ccc2cc(ccc2n1)N","InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3","","2012-07-23","2012-08-31","2-methylquinolin-6-amine","2012-08-31"],["29Q","(5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol","C16 H13 Cl N2 O","Clc1ccc(cc1)C4(O)c2c(cccc2)C3=NCCN34;O[C]1(N2CCN=C2c3ccccc13)c4ccc(Cl)cc4;c1ccc2c(c1)C3=NCCN3C2(c4ccc(cc4)Cl)O","InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2/t16-/m1/s1","","2013-09-12","2013-10-11","(5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol","2013-10-16"],["MQO","8-methoxy-6-methylquinolin-4(1H)-one","C11 H11 N O2","COc1cc(C)cc2C(C=CNc12)=O;COc1cc(C)cc2C(=O)C=CNc12;Cc1cc2c(c(c1)OC)NC=CC2=O","InChI=1S/C11H11NO2/c1-7-5-8-9(13)3-4-12-11(8)10(6-7)14-2/h3-6H,1-2H3,(H,12,13)","","2018-02-07","2018-02-09","8-methoxy-6-methylquinolin-4(1H)-one","2018-02-14"],["29R","2,9-N,N-DI(4-CARBOXYBUTYL)-7-N-METHYLGUANINE","C16 H24 N5 O5","O=C(O)CCCCNC1=Nc2c(C(=O)N1)n(c[n+]2CCCCC(=O)O)C;Cn1c[n+](CCCCC(O)=O)c2N=C(NCCCCC(O)=O)NC(=O)c12;Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O","InChI=1S/C16H23N5O5/c1-20-10-21(9-5-3-7-12(24)25)14-13(20)15(26)19-16(18-14)17-8-4-2-6-11(22)23/h10H,2-9H2,1H3,(H3-,17,18,19,22,23,24,25,26)/p+1","","2013-10-10","2014-09-05","9-(4-carboxybutyl)-2-[(4-carboxybutyl)amino]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium","2013-10-30"],["MQP","[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron","C44 H28 Fe N4","c1c(cccc1)C3=C2N5C(C=C2)=C(C%11=N7C(=C(c9n6c(C(=C4N(=C3C=C4)[Fe]567)c8ccccc8)cc9)c%10ccccc%10)C=C%11)c%12ccccc%12;[Fe]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5;c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1","InChI=1S/C44H28N4.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;","Fe-5,10,15,20-Tetraphenylporphyrin","2018-03-01","2022-04-15","[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron","2022-04-20"],["29S","Bazedoxifene","C30 H34 N2 O3","Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C;Cc1c2cc(O)ccc2n(Cc3ccc(OCCN4CCCCCC4)cc3)c1c5ccc(O)cc5;Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O","InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3","1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol","2013-09-13","2020-06-17","1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol","2016-01-13"],["29T","8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile","C21 H16 N4 O4","N#Cc4cc3n(cccc3Oc2ccccc2OCCN1C=CC(=O)NC1=O)c4;O=C1NC(=O)N(CCOc2ccccc2Oc3cccn4cc(cc34)C#N)C=C1;c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N","InChI=1S/C21H16N4O4/c22-13-15-12-16-17(6-3-8-25(16)14-15)29-19-5-2-1-4-18(19)28-11-10-24-9-7-20(26)23-21(24)27/h1-9,12,14H,10-11H2,(H,23,26,27)","","2013-09-13","2013-11-01","8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile","2013-11-06"],["MQQ","N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE","C32 H39 N3 O7 S2","O=C(NC(C(=O)NC(CCS(=O)(=O)c1ccccc1)CCc2ccccc2)CCS(=O)(=O)c3ccccc3)N4CCOCC4;O=C(N[CH](CCc1ccccc1)CC[S](=O)(=O)c2ccccc2)[CH](CC[S](=O)(=O)c3ccccc3)NC(=O)N4CCOCC4;c1ccc(cc1)CCC(CCS(=O)(=O)c2ccccc2)NC(=O)C(CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4","InChI=1S/C32H39N3O7S2/c36-31(30(34-32(37)35-20-22-42-23-21-35)19-25-44(40,41)29-14-8-3-9-15-29)33-27(17-16-26-10-4-1-5-11-26)18-24-43(38,39)28-12-6-2-7-13-28/h1-15,27,30H,16-25H2,(H,33,36)(H,34,37)/t27-,30-/m0/s1","","2006-03-13","2024-09-27","N-[(1S)-1-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}carbamoyl)-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide",""],["MQR","[(3R)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone","C15 H17 N3 O","O=C(c2cc1nccnc1cc2)N3CCCC(C)C3;C[CH]1CCCN(C1)C(=O)c2ccc3nccnc3c2;CC1CCCN(C1)C(=O)c2ccc3c(c2)nccn3","InChI=1S/C15H17N3O/c1-11-3-2-8-18(10-11)15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-7,9,11H,2-3,8,10H2,1H3/t11-/m1/s1","","2013-02-01","2013-10-04","[(3R)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone","2013-10-09"],["29U","1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide","C17 H25 N5 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)C(N)CC)CCC2;CC[CH](N)C(=O)N1CCC[CH]1C(=O)NCc2ccc(cc2)C(N)=N;CCC(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)N","InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14+/m1/s1","","2008-01-29","2012-01-05","1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["29V","(3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid","C21 H26 O2","O=C(O)CC(=CC/C=C(C=C2c1c(cccc1)C(CC2)C)C)C;C[CH]1CCC(=CC(C)=CCC=C(C)CC(O)=O)c2ccccc12;CC1CCC(=CC(=CCC=C(C)CC(=O)O)C)c2c1cccc2","InChI=1S/C21H26O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-5,7-10,13,17H,6,11-12,14H2,1-3H3,(H,22,23)/b15-7-,16-8+,18-13+/t17-/m0/s1","","2013-09-13","2014-01-17","(3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid","2014-01-22"],["MQS","[(3S)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone","C15 H17 N3 O","O=C(c2cc1nccnc1cc2)N3CCCC(C)C3;C[CH]1CCCN(C1)C(=O)c2ccc3nccnc3c2;CC1CCCN(C1)C(=O)c2ccc3c(c2)nccn3","InChI=1S/C15H17N3O/c1-11-3-2-8-18(10-11)15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-7,9,11H,2-3,8,10H2,1H3/t11-/m0/s1","","2013-02-01","2013-10-04","[(3S)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone","2013-10-09"],["MQT","methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside","C17 H22 O8","O=C(OC1C(O)C(OC(OC)C1OC(=O)C)CO)c2ccc(cc2)C;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(C)=O;Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)C)OC)CO)O","InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1","methyl 6-deoxy-1-seleno-beta-L-galactopyranoside; methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-taloside; methyl\n2-O-acetyl-3-O-(4-methylbenzoyl)-D-taloside; methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-taloside","2011-08-31","2020-07-17","methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside",""],["29W","(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid","C19 H18 N2 O6 S","O=S(=O)(c1ccc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cc3;Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC","InChI=1S/C19H18N2O6S/c1-12-3-6-15(7-4-12)28(25,26)20-19(24)17-10-13-9-14(27-2)5-8-16(13)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)","2-(5-METHOXY-2-(TOSYLCARBAMOYL)-1H-INDOL-1-YL)ACETIC ACID","2013-09-16","2020-06-17","(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid","2014-08-27"],["MQU","7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE","C15 H19 N5 O2","n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N;COCC(COC)n1ccc2c1ccc3nc(N)nc(N)c23;COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N","InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)","","2002-07-19","2011-06-04","7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine",""],["29X","5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1H-isoindol-1-one","C20 H19 F N2 O2","Fc1ccc(cc1)C4CCNCC4COc3cc2C=NC(=O)c2cc3;Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4C(=O)N=Cc4c3;c1cc(ccc1C2CCNCC2COc3ccc4c(c3)C=NC4=O)F","InChI=1S/C20H19FN2O2/c21-16-3-1-13(2-4-16)18-7-8-22-10-15(18)12-25-17-5-6-19-14(9-17)11-23-20(19)24/h1-6,9,11,15,18,22H,7-8,10,12H2/t15-,18-/m0/s1","","2013-09-16","2014-01-17","5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1H-isoindol-1-one","2014-01-22"],["MQV","7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine","C23 H20 Cl N7","C2C1C(N)C1CN2c4nc3nc(N)ncc3cc4c5c(Cl)cccc5c6cnccc6;NC1[CH]2CN(C[CH]12)c3nc4nc(N)ncc4cc3c5c(Cl)cccc5c6cccnc6;c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC5C(C4)C5N)N)c6cccnc6","InChI=1S/C23H20ClN7/c24-18-5-1-4-14(12-3-2-6-27-8-12)19(18)15-7-13-9-28-23(26)30-21(13)29-22(15)31-10-16-17(11-31)20(16)25/h1-9,16-17,20H,10-11,25H2,(H2,26,28,29,30)/t16-,17+,20+","","2019-04-11","2019-07-26","7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine","2019-07-31"],["29Y","(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide","C23 H23 N5 O S","O=C(Nc1nc2ccc(cc2s1)c3cnnc3)C5CC5c4ccc(cc4)CN(C)C;CN(C)Cc1ccc(cc1)[CH]2C[CH]2C(=O)Nc3sc4cc(ccc4n3)c5c[nH]nc5;CN(C)Cc1ccc(cc1)C2CC2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5","InChI=1S/C23H23N5OS/c1-28(2)13-14-3-5-15(6-4-14)18-10-19(18)22(29)27-23-26-20-8-7-16(9-21(20)30-23)17-11-24-25-12-17/h3-9,11-12,18-19H,10,13H2,1-2H3,(H,24,25)(H,26,27,29)/t18-,19+/m1/s1","","2013-09-16","2013-11-08","(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide","2013-11-13"],["MQW","(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C38 H54 N8 O9 S","CC(C)[CH]1NC(=O)[CH]2CCCN2C(=O)CN=C(N[CH](C(C)C)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CC(O)=O)C4=N[CH](CS4)C(O)=O)[CH](NC1=O)C(C)C;CC(C)C1C(=O)NC(C(=NCC(=O)N2CCCC2C(=O)N1)NC(C(C)C)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(=O)O)C4=NC(CS4)C(=O)O)C(C)C","InChI=1S/C38H54N8O9S/c1-19(2)29-32(39-17-27(47)46-14-10-13-26(46)34(51)45-31(21(5)6)36(53)44-29)43-30(20(3)4)35(52)40-23(15-22-11-8-7-9-12-22)33(50)41-24(16-28(48)49)37-42-25(18-56-37)38(54)55/h7-9,11-12,19-21,23-26,29-31H,10,13-18H2,1-6H3,(H,39,43)(H,40,52)(H,41,50)(H,44,53)(H,45,51)(H,48,49)(H,54,55)/t23-,24+,25-,26-,29-,30-,31-/m0/s1","","2019-10-21","2020-07-10","(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2020-07-15"],["29Z","(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide","C25 H24 N4 O S","O=C(Nc1nc2ccc(cc2s1)c3cccnc3)C5CC5c4ccc(cc4)CN(C)C;CN(C)Cc1ccc(cc1)[CH]2C[CH]2C(=O)Nc3sc4cc(ccc4n3)c5cccnc5;CN(C)Cc1ccc(cc1)C2CC2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5","InChI=1S/C25H24N4OS/c1-29(2)15-16-5-7-17(8-6-16)20-13-21(20)24(30)28-25-27-22-10-9-18(12-23(22)31-25)19-4-3-11-26-14-19/h3-12,14,20-21H,13,15H2,1-2H3,(H,27,28,30)/t20-,21+/m1/s1","","2013-09-16","2013-11-08","(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide","2013-11-13"],["MQX","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide","C34 H39 F2 N4 O8 P S","CN(C)C(=O)CCN(c1cc2ccoc2cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C;CN(C)C(=O)CCN(C(=O)[CH]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc5occc5c4;CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c2ccc3c(c2)cco3)NC(=O)c4cc5cc(ccc5s4)C(F)(F)P(=O)(O)O","InChI=1S/C34H39F2N4O8PS/c1-33(2,3)29(37-30(42)27-19-21-17-22(8-11-26(21)50-27)34(35,36)49(45,46)47)32(44)40-14-6-7-24(40)31(43)39(15-12-28(41)38(4)5)23-9-10-25-20(18-23)13-16-48-25/h8-11,13,16-19,24,29H,6-7,12,14-15H2,1-5H3,(H,37,42)(H2,45,46,47)/t24-,29+/m0/s1","","2022-03-17","2023-02-10","N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide","2023-02-15"],["2A0","N-[(2S)-2-aminohexyl]-L-norleucine","C12 H26 N2 O2","O=C(O)C(NCC(N)CCCC)CCCC;CCCC[CH](N)CN[CH](CCCC)C(O)=O;CCCCC(CNC(CCCC)C(=O)O)N","InChI=1S/C12H26N2O2/c1-3-5-7-10(13)9-14-11(12(15)16)8-6-4-2/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t10-,11-/m0/s1","","2010-10-09","2012-01-13","N-[(2S)-2-aminohexyl]-L-norleucine",""],["MQY","(5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione","C21 H16 F3 N3 O4 S","FC(F)(F)S(=O)(=O)c4ccc(N3C(=O)N(Cc1ccnc2c1cccc2)C(C3=O)C)cc4;C[CH]1N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F;CC1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F","InChI=1S/C21H16F3N3O4S/c1-13-19(28)27(15-6-8-16(9-7-15)32(30,31)21(22,23)24)20(29)26(13)12-14-10-11-25-18-5-3-2-4-17(14)18/h2-11,13H,12H2,1H3/t13-/m0/s1","","2010-08-09","2011-06-04","(5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione",""],["2A1","(2S)-2-aminopropan-1-ol","C3 H9 N O","C[CH](N)CO;CC(CO)N","InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1","","2010-01-06","2024-09-27","(2S)-2-azanylpropan-1-ol",""],["MQZ","Bottromycin A2 derivative","C42 H62 N8 O8 S2","COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](CC[S](C)=O)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4;CC1CCN2C1C(=O)NC(C(=O)NC(C(=NC(C(=O)NC(C(C)c3ccccc3)C(=O)NC(CC(=O)OC)c4nccs4)C(C)(C)C)NCC2=O)C(C)(C)C)CCS(=O)C","InChI=1S/C42H62N8O8S2/c1-24-16-19-50-29(51)23-44-35(33(41(3,4)5)49-36(53)27(17-21-60(10)57)45-38(55)32(24)50)48-34(42(6,7)8)39(56)47-31(25(2)26-14-12-11-13-15-26)37(54)46-28(22-30(52)58-9)40-43-18-20-59-40/h11-15,18,20,24-25,27-28,31-34H,16-17,19,21-23H2,1-10H3,(H,44,48)(H,45,55)(H,46,54)(H,47,56)(H,49,53)/t24-,25+,27+,28-,31+,32+,33-,34-,60?/m1/s1","","2019-10-21","2020-07-10","methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-9-(2-methylsulfinylethyl)-2,8,11-tris(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate","2020-07-15"],["2A2","4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol","C14 H19 Cl N2 O S","O=C(N2CCN(c1cccc(Cl)c1)CC2)CCCS;SCCCC(=O)N1CCN(CC1)c2cccc(Cl)c2;c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS","InChI=1S/C14H19ClN2OS/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)14(18)5-2-10-19/h1,3-4,11,19H,2,5-10H2","","2010-09-13","2024-09-27","1-[4-(3-chlorophenyl)piperazin-1-yl]-4-sulfanylbutan-1-one",""],["2A3","(2R)-2-aminopropan-1-ol","C3 H9 N O","OCC(N)C;C[CH](N)CO;CC(CO)N","InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m1/s1","","2010-10-11","2011-07-29","(2R)-2-aminopropan-1-ol",""],["MR0","N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE","C33 H40 F2 N4 O5","O=C(N)c1cc(cc(C(=O)N(CCC)CCC)c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc3cc(OC)ccc3;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc(OC)c3)C(N)=O;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(CNCc3cccc(c3)OC)O)C(=O)N","InChI=1S/C33H40F2N4O5/c1-4-9-39(10-5-2)33(43)25-16-23(31(36)41)15-24(17-25)32(42)38-29(14-22-11-26(34)18-27(35)12-22)30(40)20-37-19-21-7-6-8-28(13-21)44-3/h6-8,11-13,15-18,29-30,37,40H,4-5,9-10,14,19-20H2,1-3H3,(H2,36,41)(H,38,42)/t29-,30+/m0/s1","","2007-03-28","2011-06-04","N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dipropylbenzene-1,3,5-tricarboxamide",""],["MR1","1-(1,3-BENZODIOXOL-5-YL)METHANAMINE","C8 H9 N O2","O1c2ccc(cc2OC1)CN;NCc1ccc2OCOc2c1;c1cc2c(cc1CN)OCO2","InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2","","2007-02-06","2011-06-04","1-(1,3-benzodioxol-5-yl)methanamine",""],["2A4","(2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide","C48 H58 N6 O8","O=C(Nc3cc(C(=O)N2CCC(c1cccc(c1)CN)CC2)ccc3)C4(OC(C(O)(O4)C(=O)Nc7cc(C(=O)N6CCC(c5cccc(c5)CN)CC6)ccc7)(C)C)C(O)(C)C;CC(C)(O)[C]1(OC(C)(C)[C](O)(O1)C(=O)Nc2cccc(c2)C(=O)N3CC[CH](CC3)c4cccc(CN)c4)C(=O)Nc5cccc(c5)C(=O)N6CC[CH](CC6)c7cccc(CN)c7;CC1(C(OC(O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C","InChI=1S/C48H58N6O8/c1-45(2,59)48(44(58)52-40-16-8-14-38(28-40)42(56)54-23-19-34(20-24-54)36-12-6-10-32(26-36)30-50)61-46(3,4)47(60,62-48)43(57)51-39-15-7-13-37(27-39)41(55)53-21-17-33(18-22-53)35-11-5-9-31(25-35)29-49/h5-16,25-28,33-34,59-60H,17-24,29-30,49-50H2,1-4H3,(H,51,57)(H,52,58)/t47-,48+/m1/s1","","2013-09-16","2015-03-13","(2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide","2015-03-18"],["MR2","3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE","C24 H15 N O6","[O-][N+](=O)c2c1cccc3c1c(cc2)C(OC3=O)(c4ccc(O)cc4)c5ccc(O)cc5;Oc1ccc(cc1)C2(OC(=O)c3cccc4c3c2ccc4[N+]([O-])=O)c5ccc(O)cc5;c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-]","InChI=1S/C24H15NO6/c26-16-8-4-14(5-9-16)24(15-6-10-17(27)11-7-15)20-12-13-21(25(29)30)18-2-1-3-19(22(18)20)23(28)31-24/h1-13,26-27H","MR20","1999-07-08","2020-06-17","3,3-bis(4-hydroxyphenyl)-6-nitro-1H,3H-benzo[de]isochromen-1-one",""],["2A5","2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)","C12 H19 N5 O10 P2","O=P(O)(OP(=O)(O)O)OCC3OC(n2cnc1c(ncnc12)N)C(C3O)CCO;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3CCO;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)CCO)N","InChI=1S/C12H19N5O10P2/c13-10-8-11(15-4-14-10)17(5-16-8)12-6(1-2-18)9(19)7(26-12)3-25-29(23,24)27-28(20,21)22/h4-7,9,12,18-19H,1-3H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t6-,7-,9+,12-/m1/s1","","2008-05-02","2011-06-04","2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)",""],["MR3","1-METHYL-1H-PYRROLE","C5 H7 N","c1cccn1C;Cn1cccc1;Cn1cccc1","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","","2007-02-13","2011-06-04","1-methyl-1H-pyrrole",""],["2A6","2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE","C18 H21 N5 O","n2c(OCC1CCCCC1)c4c(nc2Nc3ccccc3)ncn4;C1CCC(CC1)COc2nc(Nc3ccccc3)nc4nc[nH]c24;c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3","InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)","","2002-07-21","2011-06-04","6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine",""],["MR4","4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL","C15 H13 N O2","n1c3ccccc3oc1c2cc(c(O)c(c2)C)C;Cc1cc(cc(C)c1O)c2oc3ccccc3n2;Cc1cc(cc(c1O)C)c2nc3ccccc3o2","InChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3","","2007-07-06","2011-06-04","4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol",""],["2A7","5-METHOXY-BENZENE-1,3-DIOL","C7 H8 O3","Oc1cc(O)cc(OC)c1;COc1cc(O)cc(O)c1;COc1cc(cc(c1)O)O","InChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3","","2011-03-25","2011-06-10","5-methoxybenzene-1,3-diol",""],["MR5","4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL","C13 H7 Br2 N O2","Brc3cc(c1nc2ccccc2o1)cc(Br)c3O;Oc1c(Br)cc(cc1Br)c2oc3ccccc3n2;c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br","InChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H","2-(3,5-DIBROMO-4-HYDROXYPHENYL)BENZOXAZOLE","2007-07-06","2021-03-13","4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol",""],["2A8","2-AMINO-PHENYLAMINO-DIBENZOSUBERONE","C21 H18 N2 O","O=C3c2c(cc(Nc1ccccc1N)cc2)CCc4c3cccc4;Nc1ccccc1Nc2ccc3C(=O)c4ccccc4CCc3c2;c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N","InChI=1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-8,11-13,23H,9-10,22H2","","2011-08-18","2014-09-05","2-[(2-aminophenyl)amino]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one",""],["2A9","5-(HYDROXYMETHYL)-2-METHOXYPHENOL","C8 H10 O3","Oc1cc(ccc1OC)CO;COc1ccc(CO)cc1O;COc1ccc(cc1O)CO","InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3","","2011-03-25","2011-06-10","5-(hydroxymethyl)-2-methoxyphenol",""],["MR6","2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE","C15 H13 N O","n1c3ccccc3oc1c2cc(cc(c2)C)C;Cc1cc(C)cc(c1)c2oc3ccccc3n2;Cc1cc(cc(c1)c2nc3ccccc3o2)C","InChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3","","2007-07-06","2011-06-04","2-(3,5-dimethylphenyl)-1,3-benzoxazole",""],["MR8","28-O-Methylrapamycin","C52 H81 N O13","O=C1C(=O)C4(O)OC(CC(OC)C(=CC=CC=CC(C)CC(C(=O)C(OC)C(OC)C(=CC(C(=O)CC(OC(=O)C2N1CCCC2)C(C)CC3CCC(O)C(OC)C3)C)C)C)C)CCC4C;CO[CH]1C[CH](CC[CH]1O)C[CH](C)[CH]2CC(=O)[CH](C)C=C(C)[CH](OC)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC;CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)OC)OC)C)C)C)OC","InChI=1S/C52H81NO13/c1-31-17-13-12-14-18-32(2)43(61-8)29-39-22-20-37(7)52(60,66-39)49(57)50(58)53-24-16-15-19-40(53)51(59)65-44(34(4)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(3)26-36(6)47(63-10)48(64-11)46(56)35(5)25-31/h12-14,17-18,26,31,33-35,37-41,43-45,47-48,54,60H,15-16,19-25,27-30H2,1-11H3/b14-12+,17-13+,32-18+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,43+,44+,45-,47-,48+,52-/m1/s1","(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-27-hydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-9,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone 28-O-Methylrapamycin","2012-02-03","2021-03-13","(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-27-hydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-9,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",""],["2AA","5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]OXY}PHOSPHINATO)OXY]PHOSPHINATO}CYT","C23 H31 N5 O13 P2 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOP(=O)(O)OP(=O)(O)OCC4OC(N3C(=O)N=C(N)C=C3)C(O)C4O;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=NC4=O)N;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","InChI=1S/C23H31N5O13P2S/c1-27(2)16-7-3-6-15-14(16)5-4-8-18(15)44(36,37)25-10-12-38-42(32,33)41-43(34,35)39-13-17-20(29)21(30)22(40-17)28-11-9-19(24)26-23(28)31/h3-9,11,17,20-22,25,29-30H,10,12-13H2,1-2H3,(H,32,33)(H,34,35)(H2,24,26,31)/t17-,20-,21-,22-/m1/s1","","2005-09-26","2012-01-05","5'-O-[(S)-{[(R)-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine",""],["2AB","4-(2-AMINOETHYL)BENZENESULFONIC ACID","C8 H11 N O2 S","O=S(O)c1ccc(cc1)CCN;NCCc1ccc(cc1)[S](O)=O;c1cc(ccc1CCN)S(=O)O","InChI=1S/C8H11NO2S/c9-6-5-7-1-3-8(4-2-7)12(10)11/h1-4H,5-6,9H2,(H,10,11)","","1999-07-08","2012-05-30","4-(2-aminoethyl)benzenesulfinic acid",""],["MR9","4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE","C29 H27 F3 N6 O3","FC(F)(F)c2cc(c(N1CCOCC1)cc2)NC(=O)c5ccc(c(Oc4ncccc4c3nc(ncc3)NC)c5)C;CNc1nccc(n1)c2cccnc2Oc3cc(ccc3C)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F;Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F","InChI=1S/C29H27F3N6O3/c1-18-5-6-19(16-25(18)41-27-21(4-3-10-34-27)22-9-11-35-28(33-2)37-22)26(39)36-23-17-20(29(30,31)32)7-8-24(23)38-12-14-40-15-13-38/h3-11,16-17H,12-15H2,1-2H3,(H,36,39)(H,33,35,37)","","2007-03-13","2011-06-04","4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide",""],["2AC","2-AMINO-P-CRESOL","C7 H9 N O","Oc1ccc(cc1N)C;Cc1ccc(O)c(N)c1;Cc1ccc(c(c1)N)O","InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3","","2002-03-19","2011-06-04","2-amino-4-methylphenol",""],["MRA","2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE","C17 H13 F3 N2 O3","O=C(NOCCO)c1c(c(F)c(F)cc1)Nc2ccc(C#C)cc2F;OCCONC(=O)c1ccc(F)c(F)c1Nc2ccc(cc2F)C#C;C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO","InChI=1S/C17H13F3N2O3/c1-2-10-3-6-14(13(19)9-10)21-16-11(4-5-12(18)15(16)20)17(24)22-25-8-7-23/h1,3-6,9,21,23H,7-8H2,(H,22,24)","","2007-05-08","2011-06-04","2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide",""],["MRB","Bottromycin A2 derivative","C42 H62 N8 O7 S2","COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](CCSC)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4;CC1CCN2C1C(=O)NC(C(=O)NC(C(=NC(C(=O)NC(C(C)c3ccccc3)C(=O)NC(CC(=O)OC)c4nccs4)C(C)(C)C)NCC2=O)C(C)(C)C)CCSC","InChI=1S/C42H62N8O7S2/c1-24-16-19-50-29(51)23-44-35(33(41(3,4)5)49-36(53)27(17-20-58-10)45-38(55)32(24)50)48-34(42(6,7)8)39(56)47-31(25(2)26-14-12-11-13-15-26)37(54)46-28(22-30(52)57-9)40-43-18-21-59-40/h11-15,18,21,24-25,27-28,31-34H,16-17,19-20,22-23H2,1-10H3,(H,44,48)(H,45,55)(H,46,54)(H,47,56)(H,49,53)/t24-,25+,27+,28-,31+,32+,33-,34-/m1/s1","","2019-10-21","2020-07-10","methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-9-(2-methylsulfanylethyl)-2,8,11-tris(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate","2020-07-15"],["2AD","2'-AMINO-2'-DEOXYADENOSINE","C10 H14 N6 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N;N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)N)N","InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1","","2003-02-04","2011-06-04","2'-amino-2'-deoxyadenosine",""],["MRC","MUPIROCIN","C26 H44 O9","C[CH](O)[CH](C)[CH]1O[CH]1C[CH]2CO[CH](CC(C)=CC(=O)OCCCCCCCCC(O)=O)[CH](O)[CH]2O;CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O","InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1","9-[(E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid; PSEUDOMONIC ACID","1999-07-08","2023-08-14","9-[(~{E})-4-[(2~{S},3~{R},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[[(2~{S},3~{S})-3-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid",""],["2AE","2-AMINO-BENZAMIDE","C7 H8 N2 O","O=C(c1ccccc1N)N;NC(=O)c1ccccc1N;c1ccc(c(c1)C(=O)N)N","InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)","","2011-03-25","2011-06-10","2-aminobenzamide",""],["2AF","2-AMINOPHENOL","C6 H7 N O","Oc1ccccc1N;Nc1ccccc1O;c1ccc(c(c1)N)O","InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2","","2002-03-19","2011-06-04","2-aminophenol",""],["MRD","(4R)-2-METHYLPENTANE-2,4-DIOL","C6 H14 O2","OC(C)CC(O)(C)C;C[CH](O)CC(C)(C)O;CC(CC(C)(C)O)O","InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1","","2003-01-08","2011-06-04","(4R)-2-methylpentane-2,4-diol",""],["MRE","2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID","C15 H15 N3 O2","O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1;CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O;CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O","InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+","METHYL RED","2007-08-23","2020-06-17","2-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid",""],["2AG","(2S)-2-aminopent-4-enoic acid","C5 H9 N O2","O=C(O)C(N)C/C=C;N[CH](CC=C)C(O)=O;C=CCC(C(=O)O)N","InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1","L-allylglycine","2008-04-17","2024-09-27","(2S)-2-aminopent-4-enoic acid",""],["2AH","{(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER","C39 H45 N5 O6","O=C(NC2c1ccccc1CC2O)C(O)(Cc3ccccc3)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc5ccc(c4ncccc4)cc5;COC(=O)N[CH](C(=O)NN(Cc1ccc(cc1)c2ccccn2)C[C](O)(Cc3ccccc3)C(=O)N[CH]4[CH](O)Cc5ccccc45)C(C)(C)C;CC(C)(C)C(C(=O)NN(Cc1ccc(cc1)c2ccccn2)CC(Cc3ccccc3)(C(=O)NC4c5ccccc5CC4O)O)NC(=O)OC","InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-17-19-28(20-18-27)31-16-10-11-21-40-31)25-39(49,23-26-12-6-5-7-13-26)36(47)41-33-30-15-9-8-14-29(30)22-32(33)45/h5-21,32-34,45,49H,22-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1","","2006-02-08","2011-06-04","methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["MRF","2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","C20 H27 Cl2 N3 O3","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3;c1cc(ccc1OC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)","","2022-08-04","2024-09-27","2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["MRG","N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C13 H20 N5 O7 P S","O=C1c2ncn(c2N=C(NCCCS)N1)C3OC(C(O)C3)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCCCS;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS","InChI=1S/C13H20N5O7PS/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13(17-12(10)20)14-2-1-3-27/h6-9,19,27H,1-5H2,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1","","2002-12-09","2024-09-27","2'-deoxy-N-(3-sulfanylpropyl)guanosine 5'-(dihydrogen phosphate)",""],["2AI","1H-imidazol-2-amine","C3 H5 N3","n1ccnc1N;Nc1[nH]ccn1;c1cnc([nH]1)N","InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)","","2007-11-07","2011-06-04","1H-imidazol-2-amine",""],["2AJ","[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)","C46 H54 N4 O5 Si2","O=C(N2CCC(c1cccc(c1)CN)CC2)c3ccc4occ(c4c3)[Si](O[Si](c5c6cc(ccc6oc5)C(=O)N8CCC(c7cccc(c7)CN)CC8)(C)C)(C)C;C[Si](C)(O[Si](C)(C)c1coc2ccc(cc12)C(=O)N3CCC(CC3)c4cccc(CN)c4)c5coc6ccc(cc56)C(=O)N7CCC(CC7)c8cccc(CN)c8;C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN","InChI=1S/C46H54N4O5Si2/c1-56(2,43-29-53-41-13-11-37(25-39(41)43)45(51)49-19-15-33(16-20-49)35-9-5-7-31(23-35)27-47)55-57(3,4)44-30-54-42-14-12-38(26-40(42)44)46(52)50-21-17-34(18-22-50)36-10-6-8-32(24-36)28-48/h5-14,23-26,29-30,33-34H,15-22,27-28,47-48H2,1-4H3","","2013-09-16","2015-03-13","[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)","2015-03-18"],["MRH","4-acetamido-4,6-dideoxy-alpha-D-mannopyranose","C8 H15 N O5","C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O;CC1C(C(C(C(O1)O)O)O)NC(=O)C","InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1","alpha-N-Acetylperosamine; 4-acetamido-4,6-dideoxy-alpha-D-mannose; 4-acetamido-4,6-dideoxy-D-mannose;\n4-acetamido-4,6-dideoxy-mannose","2019-10-21","2020-07-17","~{N}-[(2~{R},3~{S},4~{S},5~{S},6~{S})-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]ethanamide","2020-01-15"],["MRI","2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one","C15 H10 O7","Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H","Morin","2015-06-17","2021-03-01","2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one","2015-10-07"],["2AK","7-bromo-5-methyl-1H-indole-2,3-dione","C9 H6 Br N O2","Brc1cc(cc2c1NC(=O)C2=O)C;Cc1cc(Br)c2NC(=O)C(=O)c2c1;Cc1cc2c(c(c1)Br)NC(=O)C2=O","InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)","","2013-06-04","2014-04-04","7-bromo-5-methyl-1H-indole-2,3-dione","2014-04-09"],["MRJ","N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C23 H46 N3 O8 P","OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C;CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1","","2019-04-15","2024-09-27","N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2020-04-15"],["2AL","1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA","C4 H4 N4 O3","O=C1C(=NC(=O)N1)NC(=O)N;NC(=O)NC1=NC(=O)NC1=O;C1(=O)C(=NC(=O)N1)NC(=O)N","InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)","ALLANTOIN","2006-02-07","2021-03-01","1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea",""],["MRK","2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE","C14 H12 F N5 O S2","O=C(c2cc(Sc1nccn1C)c(F)cc2N)Nc3nccs3;Cn1ccnc1Sc2cc(c(N)cc2F)C(=O)Nc3sccn3;Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3","InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)","","2003-11-20","2011-06-04","2-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-1,3-thiazol-2-ylbenzamide",""],["2AM","ADENOSINE-2'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)OP(=O)(O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","2'-adenylic acid",""],["MRM","4-AMINOPIPERIDINE-1-CARBOXYLIC ACID","C6 H12 N2 O2","O=C(O)N1CCC(N)CC1;NC1CCN(CC1)C(O)=O;C1CN(CCC1N)C(=O)O","InChI=1S/C6H12N2O2/c7-5-1-3-8(4-2-5)6(9)10/h5H,1-4,7H2,(H,9,10)","","2000-09-15","2011-06-04","4-aminopiperidine-1-carboxylic acid",""],["2AN","8-ANILINO-1-NAPHTHALENE SULFONATE","C16 H13 N O3 S","O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23;O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12;c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O","InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)","","1999-07-08","2011-06-04","8-(phenylamino)naphthalene-1-sulfonic acid",""],["MRN","2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide","C17 H19 N O2","CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1;Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C","InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)","2-Methyl-N-(3-isopropoxy-phenyl)-benzamide","2010-02-15","2020-06-17","2-methyl-N-(3-propan-2-yloxyphenyl)benzamide",""],["2AO","(2S)-2-AMINOHEXAN-1-OL","C6 H15 N O","OCC(N)CCCC;CCCC[CH](N)CO;CCCCC(CO)N","InChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1","","2005-09-01","2011-08-06","(2S)-2-aminohexan-1-ol",""],["MRO","2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C13 H12 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2;OC(=O)C1=C(CCc2ccccc2)C(=O)NC(=O)N1;c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C13H12N2O4/c16-11-9(7-6-8-4-2-1-3-5-8)10(12(17)18)14-13(19)15-11/h1-5H,6-7H2,(H,17,18)(H2,14,15,16,19)","","2012-11-21","2013-11-15","2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-20"],["2AP","2-AMINOPYRIDINE","C5 H7 N2","Nc1[nH+]cccc1;Nc1cccc[nH+]1;c1cc[nH+]c(c1)N","InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/p+1","","1999-07-08","2011-06-04","2-aminopyridinium",""],["MRP","3-O-methyl-alpha-L-rhamnopyranose","C7 H14 O5","O(C1C(O)C(OC(O)C1O)C)C;CO[CH]1[CH](O)[CH](C)O[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)OC)O","InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1","3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE; 6-deoxy-3-O-methyl-alpha-L-mannopyranose; 3-O-methyl-alpha-L-rhamnose;\n3-O-methyl-L-rhamnose; 3-O-methyl-rhamnose","1999-07-08","2020-07-17","6-deoxy-3-O-methyl-alpha-L-mannopyranose",""],["2AQ","QUINOLIN-2-AMINE","C9 H8 N2","n1c(ccc2ccccc12)N;Nc1ccc2ccccc2n1;c1ccc2c(c1)ccc(n2)N","InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)","2-AMINOQUINOLINE","2007-01-12","2021-03-01","quinolin-2-amine",""],["2AR","2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE","C11 H16 N5 O5 P","O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C3;c1nc(c2c(n1)n(cn2)C3CC(C(C3)O)COP(=O)(O)O)N","InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1","[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE","2000-05-04","2021-03-01","[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate",""],["MRQ","(14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide","C30 H38 N8 O5 S","NC(=N)NCCC[CH]1NC(=O)Cc2cccn2C(=O)CN(Cc3occc3)Cc4ccccc4CSC[CH](NC1=O)C(N)=O;c1ccc2c(c1)CN(CC(=O)n3cccc3CC(=O)NC(C(=O)NC(CSC2)C(=O)N)CCCNC(=N)N)Cc4ccco4","InChI=1S/C30H38N8O5S/c31-28(41)25-19-44-18-21-7-2-1-6-20(21)15-37(16-23-9-5-13-43-23)17-27(40)38-12-4-8-22(38)14-26(39)35-24(29(42)36-25)10-3-11-34-30(32)33/h1-2,4-9,12-13,24-25H,3,10-11,14-19H2,(H2,31,41)(H,35,39)(H,36,42)(H4,32,33,34)/t24-,25-/m0/s1","macrocycle N14-PR4-A; (14S,17R)-3-(2-furylmethyl)-14-(3-guanidinopropyl)-5,12,15-trioxo-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.06,10]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide","2019-10-22","2021-08-28","(14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide","2020-09-30"],["MRR","(R)-2-METHYLMYRISTOYL-COENZYME A","C36 H64 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)CCCCCCCCCCCC;CCCCCCCCCCCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C36H64N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-24(2)35(48)64-19-18-38-26(44)16-17-39-33(47)30(46)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-29(59-61(49,50)51)28(45)34(58-25)43-23-42-27-31(37)40-22-41-32(27)43/h22-25,28-30,34,45-46H,5-21H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t24-,25-,28-,29-,30+,34-/m1/s1","[5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-METHYLTETRADECANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID","2006-03-22","2021-03-13","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2R)-2-methyltetradecanethioate (non-preferred name)",""],["2AS","(2S,3S)-3-methyl-aspartic acid","C5 H9 N O4","O=C(O)C(C)C(N)C(=O)O;C[CH]([C]O)[CH](N)[C](O)(=O)=O;CC([C]O)C(C(=O)(=O)O)N","InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1","","1999-08-05","2024-09-27","(3S)-3-methyl-L-aspartic acid",""],["MRS","(S)-2-METHYLMYRISTOYL-COENZYME A","C36 H64 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)CCCCCCCCCCCC;CCCCCCCCCCCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C36H64N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-24(2)35(48)64-19-18-38-26(44)16-17-39-33(47)30(46)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-29(59-61(49,50)51)28(45)34(58-25)43-23-42-27-31(37)40-22-41-32(27)43/h22-25,28-30,34,45-46H,5-21H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t24-,25+,28+,29+,30-,34+/m0/s1","[5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(S)-2-METHYLTETRADECANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID","2006-03-22","2021-03-13","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2S)-2-methyltetradecanethioate (non-preferred name)",""],["2AT","2'-O-ALLYL THYMIDINE-5'-MONOPHOSPHATE","C13 H19 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCC=C)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCC=C)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCC=C","InChI=1S/C13H19N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h3,5,8-10,12,16H,1,4,6H2,2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2004-12-17","2011-06-04","5-methyl-2'-O-prop-2-en-1-yluridine 5'-(dihydrogen phosphate)",""],["MRT","(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid","C56 H66 N6 O13","O=C(OCC3c1ccccc1c2ccccc23)N(C)C(c4ccccc4)C(=O)CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc5ccccc5)CC(=O)O)C6CCCCC6)CC(=O)O)CC(C)C;CC(C)C[CH](NCC(=O)[CH](N(C)C(=O)OCC1c2ccccc2c3ccccc13)c4ccccc4)C(=O)N[CH](CC(O)=O)C(=O)N[CH](C5CCCCC5)C(=O)N[CH](CC(O)=O)C(=O)N[CH](Cc6ccccc6)C(O)=O;CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C1CCCCC1)C(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)O)NCC(=O)C(c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6","InChI=1S/C56H66N6O13/c1-33(2)27-42(57-31-46(63)50(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)51(68)58-44(30-48(66)67)53(70)61-49(35-19-9-5-10-20-35)54(71)59-43(29-47(64)65)52(69)60-45(55(72)73)28-34-17-7-4-8-18-34/h4,6-8,11-18,21-26,33,35,41-45,49-50,57H,5,9-10,19-20,27-32H2,1-3H3,(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)(H,66,67)(H,72,73)/t42-,43-,44-,45-,49-,50+/m0/s1","","2008-04-14","2011-06-04","(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid (non-preferred name)",""],["2AU","2'-AMINOURIDINE","C9 H14 N3 O8 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2N)COP(=O)(O)O;N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N","InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2005-04-26","2011-06-04","2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["2AV","[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)","C46 H54 N4 O3 S2 Si2","O=C(N2CCC(c1cccc(c1)CN)CC2)c4sc3cccc(c3c4)[Si](O[Si](c5cccc6sc(cc56)C(=O)N8CCC(c7cccc(c7)CN)CC8)(C)C)(C)C;C[Si](C)(O[Si](C)(C)c1cccc2sc(cc12)C(=O)N3CCC(CC3)c4cccc(CN)c4)c5cccc6sc(cc56)C(=O)N7CCC(CC7)c8cccc(CN)c8;C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN","InChI=1S/C46H54N4O3S2Si2/c1-56(2,43-15-7-13-39-37(43)27-41(54-39)45(51)49-21-17-33(18-22-49)35-11-5-9-31(25-35)29-47)53-57(3,4)44-16-8-14-40-38(44)28-42(55-40)46(52)50-23-19-34(20-24-50)36-12-6-10-32(26-36)30-48/h5-16,25-28,33-34H,17-24,29-30,47-48H2,1-4H3","","2013-09-16","2015-03-13","[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)","2015-03-18"],["MRU","5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RIBULOSE","C6 H13 O7 P S","O=C(C(O)C(O)CSC)COP(=O)(O)O;CSC[CH](O)[CH](O)C(=O)CO[P](O)(O)=O;CSCC(C(C(=O)COP(=O)(O)O)O)O","InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1","","2007-04-18","2011-06-04","5-S-methyl-1-O-phosphono-5-thio-D-ribulose",""],["MRV","4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide","C29 H41 F2 N5 O","FC5(F)CCC(C(=O)NC(c1ccccc1)CCN2C4CCC2CC(n3c(nnc3C(C)C)C)C4)CC5;CC(C)c1nnc(C)n1C2C[CH]3CC[CH](C2)N3CC[CH](NC(=O)C4CCC(F)(F)CC4)c5ccccc5;Cc1nnc(n1C2CC3CCC(C2)N3CCC(c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C","InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1","","2013-09-05","2013-09-06","4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide","2013-09-11"],["2AW","6-({(2R,3S)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid","C14 H23 N O9 S","O=C(OCC(S(=O)O)(C(C(=O)O)NCCC=O)C)CCCCC(=O)O;C[C](COC(=O)CCCCC(O)=O)([CH](NCCC=O)C(O)=O)[S](O)=O;CC(COC(=O)CCCCC(=O)O)(C(C(=O)O)NCCC=O)S(=O)O","InChI=1S/C14H23NO9S/c1-14(25(22)23,12(13(20)21)15-7-4-8-16)9-24-11(19)6-3-2-5-10(17)18/h8,12,15H,2-7,9H2,1H3,(H,17,18)(H,20,21)(H,22,23)/t12-,14-/m0/s1","","2013-09-16","2024-09-27","6-({(2R,3S)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid","2014-07-30"],["MRW","7-chloroquinolin-4-ol","C9 H6 Cl N O","Clc1cc2nccc(O)c2cc1;Oc1ccnc2cc(Cl)ccc12;c1cc2c(ccnc2cc1Cl)O","InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)","","2013-09-20","2014-05-09","7-chloroquinolin-4-ol","2014-05-14"],["2AX","(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid","C15 H15 N O4 S","O=C(O)C1CC2C(=O)c3c(C(=O)C2SCC1C)cncc3;C[CH]1CS[CH]2[CH](C[CH]1C(O)=O)C(=O)c3ccncc3C2=O;CC1CSC2C(CC1C(=O)O)C(=O)c3ccncc3C2=O","InChI=1S/C15H15NO4S/c1-7-6-21-14-10(4-9(7)15(19)20)12(17)8-2-3-16-5-11(8)13(14)18/h2-3,5,7,9-10,14H,4,6H2,1H3,(H,19,20)/t7-,9+,10+,14+/m0/s1","","2013-09-17","2015-03-06","(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid","2015-03-11"],["MRX","5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide","C13 H14 Br N3 O3 S","O=S(=O)(c2c1cc(Br)ccc1nc2C(=O)N)N3CCCC3;NC(=O)c1[nH]c2ccc(Br)cc2c1[S](=O)(=O)N3CCCC3;c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3","InChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)","","2007-11-08","2011-06-04","5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide",""],["2AY","N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide","C26 H26 N2 O6 S","O=C1NC=CC=C1c4cc(C=2OC(=O)c3cc(ccc3C=2)NS(=O)(=O)C)c(OC)c(c4)C(C)(C)C;COc1c(cc(cc1C(C)(C)C)C2=CC=CNC2=O)C3=Cc4ccc(N[S](C)(=O)=O)cc4C(=O)O3;CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O","InChI=1S/C26H26N2O6S/c1-26(2,3)21-12-16(18-7-6-10-27-24(18)29)11-20(23(21)33-4)22-13-15-8-9-17(28-35(5,31)32)14-19(15)25(30)34-22/h6-14,28H,1-5H3,(H,27,29)","","2013-09-18","2013-10-04","N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide","2013-10-09"],["2AZ","N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE","C28 H30 Cl N5 O2","O=C(c1ccc(cc1)C)N(CCCN)C(C2=Nn4c(C(=O)N2Cc3ccccc3)c(Cl)cc4)C5CC5;Cc1ccc(cc1)C(=O)N(CCCN)[CH](C2CC2)C3=Nn4ccc(Cl)c4C(=O)N3Cc5ccccc5;Cc1ccc(cc1)C(=O)N(CCCN)C(C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl","InChI=1S/C28H30ClN5O2/c1-19-8-10-22(11-9-19)27(35)32(16-5-15-30)24(21-12-13-21)26-31-34-17-14-23(29)25(34)28(36)33(26)18-20-6-3-2-4-7-20/h2-4,6-11,14,17,21,24H,5,12-13,15-16,18,30H2,1H3/t24-/m1/s1","","2006-04-07","2011-06-04","N-(3-aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide",""],["MRY","MESO-ERYTHRITOL","C4 H10 O4","OCC(O)C(O)CO;OC[CH](O)[CH](O)CO;C(C(C(CO)O)O)O","InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+","","2004-05-26","2011-06-04","(2R,3S)-butane-1,2,3,4-tetrol",""],["MRZ","piperidine-1-carboximidamide","C6 H13 N3","[N@H]=C(N)N1CCCCC1;NC(=N)N1CCCCC1;C1CCN(CC1)C(=N)N","InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)","","2014-12-08","2015-03-20","piperidine-1-carboximidamide","2015-03-25"],["2B0","[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid","C9 H12 N O5 P","O=P(O)(O)CCc1cnc(c(O)c1C=O)C;Cc1ncc(CC[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O","InChI=1S/C9H12NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h4-5,12H,2-3H2,1H3,(H2,13,14,15)","","2013-09-18","2014-02-28","[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid","2014-03-05"],["MS0","(6-methoxy-1-benzofuran-3-yl)acetic acid","C11 H10 O4","O=C(O)Cc1c2ccc(OC)cc2oc1;COc1ccc2c(CC(O)=O)coc2c1;COc1ccc2c(c1)occ2CC(=O)O","InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)","","2010-05-25","2011-06-04","(6-methoxy-1-benzofuran-3-yl)acetic acid",""],["2B1","(4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C15 H15 N4 O5 P S","O=P(O)(O)OCc1cnc(c(O)c1C/N=N/c2nc3ccccc3s2)C;Cc1ncc(CO[P](O)(O)=O)c(CN=Nc2sc3ccccc3n2)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=Nc2nc3ccccc3s2)O","InChI=1S/C15H15N4O5PS/c1-9-14(20)11(10(6-16-9)8-24-25(21,22)23)7-17-19-15-18-12-4-2-3-5-13(12)26-15/h2-6,20H,7-8H2,1H3,(H2,21,22,23)/b19-17+","","2013-09-18","2014-02-28","(4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2014-03-05"],["MS1","2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID","C32 H34 N9 O15 P","O=C(O)C(NC(=O)c1ccc(cc1)N(C(=O)C=Cc2c(ncn2C3OC(C(O)C3O)COP(=O)(O)O)C(=O)N)Cc5nc4c(N=C(N)NC4=O)cc5)CCC(=O)O;NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1C=CC(=O)N(Cc3ccc4N=C(N)NC(=O)c4n3)c5ccc(cc5)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)C=Cc4c(ncn4C5C(C(C(O5)COP(=O)(O)O)O)O)C(=O)N","InChI=1S/C32H34N9O15P/c33-27(47)24-19(41(13-35-24)30-26(46)25(45)20(56-30)12-55-57(52,53)54)8-9-21(42)40(11-15-3-6-17-23(36-15)29(49)39-32(34)38-17)16-4-1-14(2-5-16)28(48)37-18(31(50)51)7-10-22(43)44/h1-6,8-9,13,18,20,25-26,30,45-46H,7,10-12H2,(H2,33,47)(H,37,48)(H,43,44)(H,50,51)(H2,52,53,54)(H3,34,38,39,49)/b9-8+/t18-,20+,25+,26+,30+/m0/s1","BETA-DADF; MSA; MULTISUBSTRATE ADDUCT INHIBITOR","2003-04-25","2020-05-27","N-{[4-([(2-amino-4-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]prop-2-enoyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["2B2","4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide","C14 H13 F3 N2 O S","FC(F)(F)CCNC(=O)c2ccc(c1nc(sc1)C)cc2;Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F;Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C14H13F3N2OS/c1-9-19-12(8-21-9)10-2-4-11(5-3-10)13(20)18-7-6-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20)","","2013-08-13","2014-06-20","4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide","2014-06-25"],["MS2","2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE","C14 H16 Br Cl2 N O2 S","O=C(NC(c1ccc(Br)cc1)C)C2(S(=O)C)C(C)C2(Cl)Cl;C[CH](NC(=O)[C]1([CH](C)C1(Cl)Cl)[S](C)=O)c2ccc(Br)cc2;CC1C(C1(Cl)Cl)(C(=O)NC(C)c2ccc(cc2)Br)S(=O)C","InChI=1S/C14H16BrCl2NO2S/c1-8(10-4-6-11(15)7-5-10)18-12(19)13(21(3)20)9(2)14(13,16)17/h4-9H,1-3H3,(H,18,19)/t8-,9-,13-,21+/m1/s1","","1999-07-08","2012-01-05","(1R,3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dichloro-3-methyl-1-[(S)-methylsulfinyl]cyclopropanecarboxamide",""],["2B3","4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide","C17 H20 F3 N3 O3 S2","O=S(=O)(NCc1nc(cs1)c2ccc(C(=O)NCCC(F)(F)F)cc2)CCC;CCC[S](=O)(=O)NCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F;CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C17H20F3N3O3S2/c1-2-9-28(25,26)22-10-15-23-14(11-27-15)12-3-5-13(6-4-12)16(24)21-8-7-17(18,19)20/h3-6,11,22H,2,7-10H2,1H3,(H,21,24)","","2013-08-13","2014-06-20","4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide","2014-06-25"],["MS3","N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]","C42 H52 N6 O8","O=C(NCc1ncccc1)C(NC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC(C(=O)NCc4ncccc4)C(C)C)C(C)C;CC(C)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O)[CH](O)[CH](OCc2ccccc2)C(=O)N[CH](C(C)C)C(=O)NCc3ccccn3)C(=O)NCc4ccccn4;CC(C)C(C(=O)NCc1ccccn1)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4","InChI=1S/C42H52N6O8/c1-27(2)33(39(51)45-23-31-19-11-13-21-43-31)47-41(53)37(55-25-29-15-7-5-8-16-29)35(49)36(50)38(56-26-30-17-9-6-10-18-30)42(54)48-34(28(3)4)40(52)46-24-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1","INHIBITOR MSA367","2000-03-13","2021-03-01","(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(1S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]propyl}hexanediamide (non-preferred name)",""],["2B4","2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID","C9 H7 Br O5","Brc1ccc(OC(C(=O)O)C(=O)O)cc1;OC(=O)C(Oc1ccc(Br)cc1)C(O)=O;c1cc(ccc1OC(C(=O)O)C(=O)O)Br","InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)","","2012-02-16","2014-09-05","(4-bromophenoxy)propanedioic acid",""],["2B5","2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid","C21 H18 N2 O5","COc1ccc2n(CC(O)=O)c(CNC(=O)c3oc4ccccc4c3)cc2c1;COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3","InChI=1S/C21H18N2O5/c1-27-16-6-7-17-14(9-16)8-15(23(17)12-20(24)25)11-22-21(26)19-10-13-4-2-3-5-18(13)28-19/h2-10H,11-12H2,1H3,(H,22,26)(H,24,25)","","2010-01-21","2011-06-04","2-[2-[(1-benzofuran-2-ylcarbonylamino)methyl]-5-methoxy-indol-1-yl]ethanoic acid",""],["MS4","3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE","C16 H12 Cl N5 O3 S","O=S(=O)(Oc3ccc(c1cc(ccc1C#N)Cn2ncnc2)cc3Cl)N;N[S](=O)(=O)Oc1ccc(cc1Cl)c2cc(Cn3cncn3)ccc2C#N;c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N","InChI=1S/C16H12ClN5O3S/c17-15-6-12(3-4-16(15)25-26(19,23)24)14-5-11(1-2-13(14)7-18)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)","5'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-2'-cyanobiphenyl-4-yl sulfamate","2009-03-19","2020-06-17","3-chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate",""],["MS5","7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate","C18 H22 N2 O5 S","O=S(=O)(Oc1c(OC)cc2c(c1)CCN(C2)Cc3cccc(OC)c3)N;COc1cccc(CN2CCc3cc(O[S](N)(=O)=O)c(OC)cc3C2)c1;COc1cccc(c1)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N","InChI=1S/C18H22N2O5S/c1-23-16-5-3-4-13(8-16)11-20-7-6-14-9-18(25-26(19,21)22)17(24-2)10-15(14)12-20/h3-5,8-10H,6-7,11-12H2,1-2H3,(H2,19,21,22)","2-(3-methoxybenzyl)-6-O-sulfamoyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline","2009-03-19","2020-06-17","7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate",""],["2B6","(4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C16 H15 N4 O6 P S","O=P(O)(O)OCc1cnc(c(O)c1C/N=N/C(=O)c2nc3ccccc3s2)C;Cc1ncc(CO[P](O)(O)=O)c(CN=NC(=O)c2sc3ccccc3n2)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=NC(=O)c2nc3ccccc3s2)O","InChI=1S/C16H15N4O6PS/c1-9-14(21)11(10(6-17-9)8-26-27(23,24)25)7-18-20-15(22)16-19-12-4-2-3-5-13(12)28-16/h2-6,21H,7-8H2,1H3,(H2,23,24,25)/b20-18+","","2013-09-18","2014-02-28","(4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2014-03-05"],["2B7","1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea","C20 H23 N5 O2 S","O=C1C(=Cc2nc(sc2N1CCC(C)C)NC(=O)NC/C=C)c3cccnc3;CC(C)CCN1C(=O)C(=Cc2nc(NC(=O)NCC=C)sc12)c3cccnc3;CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3","InChI=1S/C20H23N5O2S/c1-4-8-22-19(27)24-20-23-16-11-15(14-6-5-9-21-12-14)17(26)25(18(16)28-20)10-7-13(2)3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H2,22,23,24,27)","","2013-09-18","2013-11-15","1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea","2013-11-20"],["MS6","(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol","C5 H11 N O S2","C(N)(CS)CCSC;CSCC[CH](N)C(O)=S;CSCCC(C(=S)O)N","InChI=1S/C5H11NOS2/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","(2S)-2-amino-4-(methylsulfanyl)butanethioic O-acid","2020-09-03","2025-12-15","(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol","2020-09-23"],["MS7","O-benzyl-N-methyl-L-tyrosinamide","C17 H20 N2 O2","O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2;CNC(=O)[CH](N)Cc1ccc(OCc2ccccc2)cc1;CNC(=O)C(Cc1ccc(cc1)OCc2ccccc2)N","InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1","","2010-05-05","2011-06-04","O-benzyl-N-methyl-L-tyrosinamide",""],["2B8","(5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid","C14 H23 N3 O2","O=C(O)C2(CCc1c(ncn1CCC)C2)CCCN;CCCn1cnc2C[C](CCCN)(CCc12)C(O)=O;CCCn1cnc2c1CCC(C2)(CCCN)C(=O)O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","","2014-03-19","2014-09-05","(5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid","2014-08-13"],["MS8","(2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid","C11 H17 N O6","O=C(O)C(N)CC2(OC1C(OCCC1)C2)C(=O)O;N[CH](C[C]1(C[CH]2OCCC[CH]2O1)C(O)=O)C(O)=O;C1CC2C(CC(O2)(CC(C(=O)O)N)C(=O)O)OC1","InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t6-,7+,8+,11+/m0/s1","","2009-01-20","2011-06-04","(2R,3aR,7aR)-2-[(2S)-2-amino-2-carboxyethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)",""],["2B9","[(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate","C14 H15 N4 O6 P","O=P(OCC=1C(C(O)=C(NC=1)C)=CN=NC(=O)c2ccncc2)(O)O;CC1=C(O)C(=CN=NC(=O)c2ccncc2)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=NC(=O)c2ccncc2)C(=CN1)COP(=O)(O)O)O","InChI=1S/C14H15N4O6P/c1-9-13(19)12(11(6-16-9)8-24-25(21,22)23)7-17-18-14(20)10-2-4-15-5-3-10/h2-7,16,19H,8H2,1H3,(H2,21,22,23)/b12-7-,18-17+","","2013-09-18","2014-02-28","[(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate","2014-03-05"],["MS9","methyl 2-amino-4-chlorobenzoate","C8 H8 Cl N O2","Clc1cc(c(C(=O)OC)cc1)N;COC(=O)c1ccc(Cl)cc1N;COC(=O)c1ccc(cc1N)Cl","InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3","","2010-05-05","2011-06-04","methyl 2-amino-4-chlorobenzoate",""],["2BA","(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8\n]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide","C20 H24 N10 O12 P2","O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6ncnc7N)O)O)N","InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate","2008-01-29","2020-06-17","(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide",""],["2BB","(2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide","C16 H31 N3 O5","O=C(NO)C(O)C(C(=O)NC(C(=O)N(C)C)C(C)(C)C)CC(C)C;CC(C)C[CH]([CH](O)C(=O)NO)C(=O)N[CH](C(=O)N(C)C)C(C)(C)C;CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)N(C)C)C(C)(C)C","InChI=1S/C16H31N3O5/c1-9(2)8-10(11(20)14(22)18-24)13(21)17-12(16(3,4)5)15(23)19(6)7/h9-12,20,24H,8H2,1-7H3,(H,17,21)(H,18,22)/t10-,11+,12-/m1/s1","","2009-10-22","2011-06-04","(2S,3R)-N~4~-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide",""],["MSA","(2-S-METHYL) SARCOSINE","C4 H9 N O2 S","O=C(O)C(SC)NC;CN[CH](SC)C(O)=O;CNC(C(=O)O)SC","InChI=1S/C4H9NO2S/c1-5-3(8-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1","","1999-07-08","2024-09-27","(2R)-(methylamino)(methylsulfanyl)ethanoic acid",""],["MSB","1-METHYLOXY-4-SULFONE-BENZENE","C7 H8 O3 S","4-(dioxidosulfanyl)phenyl methyl ether;COc1ccc(cc1)[SH](=O)=O;COc1ccc(cc1)S(=O)=O","InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5,11H,1H3","","1999-07-08","2011-06-04","1-(dioxidosulfanyl)-4-methoxybenzene",""],["2BC","N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide","C18 H12 Br2 N2 O3","Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c3cc2ccccc2cc3;Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2)c(O)c1Br;c1ccc2cc(ccc2c1)C(=O)NN=Cc3cc(c(c(c3O)Br)O)Br","InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+","","2008-07-16","2011-06-04","N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide",""],["2BD","N1-(1-HYDROXY-3-BUTEN-2(S)-YL)-2'-DEOXYINOSINE MONO PHOSPHORIC ACID","C14 H19 N4 O8 P","O=C1c2ncn(c2N=CN1C(C=C)CO)C3OC(C(O)C3)COP(=O)(O)O;OC[CH](C=C)N1C=Nc2n(cnc2C1=O)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;C=CC(CO)N1C=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C1=O","InChI=1S/C14H19N4O8P/c1-2-8(4-19)17-7-16-13-12(14(17)21)15-6-18(13)11-3-9(20)10(26-11)5-25-27(22,23)24/h2,6-11,19-20H,1,3-5H2,(H2,22,23,24)/t8-,9-,10+,11+/m0/s1","","2004-08-02","2011-06-04","2'-deoxy-1-[(1S)-1-(hydroxymethyl)prop-2-en-1-yl]inosine 5'-(dihydrogen phosphate)",""],["MSC","2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE","C36 H36 Cl F N2 O7","Fc1cccc(Cl)c1CNC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3)[CH](O)[CH](O)[CH](OCc4ccccc4)C(=O)NCc5c(F)cccc5Cl;c1ccc(cc1)COC(C(C(C(C(=O)NC2c3ccccc3CC2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F","InChI=1S/C36H36ClFN2O7/c37-27-16-9-17-28(38)26(27)19-39-35(44)33(46-20-22-10-3-1-4-11-22)31(42)32(43)34(47-21-23-12-5-2-6-13-23)36(45)40-30-25-15-8-7-14-24(25)18-29(30)41/h1-17,29-34,41-43H,18-21H2,(H,39,44)(H,40,45)/t29-,30+,31-,32-,33-,34-/m1/s1","INHIBITOR MSL370","1999-10-05","2021-03-01","(2R,3R,4R,5R)-2,5-bis(benzyloxy)-N-(2-chloro-6-fluorobenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["MSD","1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA","C19 H18 N4 O3 S","S=C(Nc1ncc(C#N)cc1)NC3CC3c2c(OC)ccc(C(=O)C)c2O;COc1ccc(C(C)=O)c(O)c1[CH]2C[CH]2NC(=S)Nc3ccc(cn3)C#N;CC(=O)c1ccc(c(c1O)C2CC2NC(=S)Nc3ccc(cn3)C#N)OC","InChI=1S/C19H18N4O3S/c1-10(24)12-4-5-15(26-2)17(18(12)25)13-7-14(13)22-19(27)23-16-6-3-11(8-20)9-21-16/h3-6,9,13-14,25H,7H2,1-2H3,(H2,21,22,23,27)/t13-,14+/m0/s1","","2001-05-22","2011-06-04","1-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-cyanopyridin-2-yl)thiourea",""],["2BE","4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","C14 H9 Br2 Cl N2 O3","Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(Cl)cc2;Oc1c(Br)cc(C=NNC(=O)c2ccc(Cl)cc2)c(O)c1Br;c1cc(ccc1C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br)Cl","InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+","","2008-07-16","2011-06-04","4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",""],["2BF","ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID","C14 H16 N O3 P","O=P(O)(O)C(NCc1ccccc1)c2ccccc2;O[P](O)(=O)[CH](NCc1ccccc1)c2ccccc2;c1ccc(cc1)CNC(c2ccccc2)P(=O)(O)O","InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1","","2002-12-10","2011-06-04","[(R)-(benzylamino)(phenyl)methyl]phosphonic acid",""],["MSE","SELENOMETHIONINE","C5 H11 N O2 Se","O=C(O)C(N)CC[Se]C;C[Se]CC[CH](N)C(O)=O;C[Se]CCC(C(=O)O)N","InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-(methylselanyl)butanoic acid",""],["MSF","[METHYLSELENO]ACETATE","C3 H5 O2 Se","[O-]C(=O)C[Se]C;C[Se]CC([O-])=O;C[Se]CC(=O)[O-]","InChI=1S/C3H6O2Se/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1","","2000-03-27","2011-06-04","(methylselanyl)acetate",""],["2BG","1-(1,3-benzothiazol-2-yl)methanamine","C8 H8 N2 S","n1c2ccccc2sc1CN;NCc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)CN","InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2","","2013-09-18","2014-02-28","1-(1,3-benzothiazol-2-yl)methanamine","2014-03-05"],["2BH","[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)","C6 H13 B N O5","O=C(O)C(N)CC/C=C/[B-](O)(O)O;N[CH](CCC=C[B-](O)(O)O)C(O)=O;[B-](C=CCCC(C(=O)O)N)(O)(O)O","InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1","DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID","2004-06-15","2021-03-01","[(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-)",""],["MSG","7-METHYL-6-THIO-GUANOSINE","C11 H15 N5 O4 S","[S-]c3nc(nc1c3[n+](cn1C2OC(C(O)C2O)CO)C)N;C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3nc(N)nc([S-])c13;C[n+]1cn(c2c1c(nc(n2)N)[S-])C3C(C(C(O3)CO)O)O","InChI=1S/C11H15N5O4S/c1-15-3-16(8-5(15)9(21)14-11(12)13-8)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,21)/t4-,6-,7-,10-/m1/s1","","2005-02-10","2011-06-04","2-amino-7-methyl-9-beta-D-ribofuranosyl-9H-purin-7-ium-6-thiolate",""],["MSH","3-METHANESULFONYL-HEXANE","C7 H16 O2 S","(3R)-3-(methylsulfonyl)hexane;CCC[CH](CC)[S](C)(=O)=O;CCCC(CC)S(=O)(=O)C","InChI=1S/C7H16O2S/c1-4-6-7(5-2)10(3,8)9/h7H,4-6H2,1-3H3/t7-/m1/s1","","1999-07-29","2011-06-04","(1R)-1-ethylbutyl methyl sulfone",""],["2BI","2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","C10 H7 Cl3 N2 O3 S","O=S(=O)(Nc1noc(c1)C)c2cc(Cl)c(Cl)cc2Cl;Cc1onc(N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1;Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl","InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15)","","2013-02-06","2013-04-12","2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","2013-04-17"],["MSI","1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE","C20 H20 N2 O5 S","O=S(=O)(c2cc1C(=O)C(=O)N(c1cc2)C)N4C(COc3ccccc3)CCC4;CN1C(=O)C(=O)c2cc(ccc12)[S](=O)(=O)N3CCC[CH]3COc4ccccc4;CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)N3CCCC3COc4ccccc4","InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1","","1999-07-08","2024-09-27","1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-1H-indole-2,3-dione",""],["2BJ","2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid","C22 H18 N2 O6","[O-][N+](=O)c1cc(c(C(=O)O)cc1)C(=O)Nc3cccc(Oc2ccc(c(c2)C)C)c3;Cc1ccc(Oc2cccc(NC(=O)c3cc(ccc3C(O)=O)[N+]([O-])=O)c2)cc1C;Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-]","InChI=1S/C22H18N2O6/c1-13-6-8-18(10-14(13)2)30-17-5-3-4-15(11-17)23-21(25)20-12-16(24(28)29)7-9-19(20)22(26)27/h3-12H,1-2H3,(H,23,25)(H,26,27)","","2011-06-17","2012-12-14","2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid","2012-12-14"],["MSJ","N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide","C17 H23 N3 O5 S","O=S(=O)(c1ccccc1)NC(C)(C)CCCOCN2C=CC(=O)NC2=O;CC(C)(CCCOCN1C=CC(=O)NC1=O)N[S](=O)(=O)c2ccccc2;CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2","InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)","","2010-12-06","2011-06-04","N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide",""],["2BK","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine","C12 H19 N2 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C;C[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O","InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10-/m0/s1","","2013-09-18","2013-11-01","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine","2013-11-06"],["2BL","(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid","C13 H17 N O6 S","O=S(=O)(c1ccc(cc1)C)NC(C(=O)O)C(C(=O)O)CC;CC[CH]([CH](N[S](=O)(=O)c1ccc(C)cc1)C(O)=O)C(O)=O;CCC(C(C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O","InChI=1S/C13H17NO6S/c1-3-10(12(15)16)11(13(17)18)14-21(19,20)9-6-4-8(2)5-7-9/h4-7,10-11,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1","","1999-07-08","2024-09-27","(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid",""],["MSK","Broken Fe4S4 cluster","Fe4 S4","[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23;S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]","InChI=1S/4Fe.4S/q;;;;;;2*+1","","2019-10-22","2020-11-13","","2020-11-18"],["MSL","(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID","C5 H12 N2 O3 S","O=S(=N)(C)CCC(C(=O)O)N;C[S](=N)(=O)CC[CH](N)C(O)=O;CS(=N)(=O)CCC(C(=O)O)N","InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1","METHIONINE SULFOXIMINE","2005-09-27","2021-03-01","(2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid",""],["2BM","DIBROMOMETHANE","C H2 Br2","BrCBr;BrCBr;C(Br)Br","InChI=1S/CH2Br2/c2-1-3/h1H2","","2000-10-13","2011-06-04","dibromomethane",""],["2BN","(1R,4S)-2-AZABORNANE","C9 H17 N","N2C1(CCC(C1(C)C)C2)C;CC1(C)[CH]2CC[C]1(C)NC2;CC1(C2CCC1(NC2)C)C","InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1","","2002-11-08","2011-06-04","(1R,4S)-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptane",""],["MSM","(METHYLSULFANYL)METHANE","C2 H6 S","sulfanediyldimethane;CSC;CSC","InChI=1S/C2H6S/c1-3-2/h1-2H3","","2004-11-02","2011-06-04","dimethyl sulfide",""],["MSN","(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL","C6 H13 N O3 S","OC1C(O)C(N)C(SC)C1O;CS[CH]1[CH](N)[CH](O)[CH](O)[CH]1O;CSC1C(C(C(C1O)O)O)N","InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1","","2005-12-28","2011-06-04","(1R,2R,3R,4S,5R)-4-amino-5-(methylsulfanyl)cyclopentane-1,2,3-triol",""],["2BO","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine","C12 H19 N2 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C;C[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O","InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10+/m1/s1","","2013-09-18","2024-09-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine","2013-11-06"],["MSO","SELENOMETHIONINE SELENOXIDE","C5 H11 N O3 Se","O=C(O)C(N)CC[Se](=O)C;C[Se](=O)CC[CH](N)C(O)=O;C[Se](=O)CCC(C(=O)O)N","InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1","","2000-08-18","2024-09-27","(2S)-2-amino-4-(methylseleninyl)butanoic acid",""],["2BP","9H-purin-2-amine","C5 H5 N5","n1cc2ncnc2nc1N;Nc1ncc2nc[nH]c2n1;c1c2c([nH]cn2)nc(n1)N","InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)","2-AMINOPURINE","2009-02-05","2021-03-01","9H-purin-2-amine",""],["MSP","5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENOSINE","C15 H25 N7 O7 S2","O=C(NS(=O)(=O)OCC3OC(N2C=NC1=C(N)NC=NC12)C(O)C3O)C(N)CCSC;CSCC[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(N)NC=N[CH]23;CSCCC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(NC=NC32)N)O)O)N","InChI=1S/C15H25N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,13,15,23-24H,2-4,16-17H2,1H3,(H,18,19)(H,21,25)/t7-,8+,10+,11+,13?,15+/m0/s1","","2003-05-30","2011-06-04","5'-O-(L-methionylsulfamoyl)adenosine",""],["2BQ","2-hydroxysaclofen","C9 H12 Cl N O4 S","Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O;NC[C](O)(C[S](O)(=O)=O)c1ccc(Cl)cc1;c1cc(ccc1C(CN)(CS(=O)(=O)O)O)Cl","InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1","(2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid","2013-09-19","2020-06-17","(2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid","2013-12-11"],["2BR","2-BROMOPHENOL","C6 H5 Br O","Brc1ccccc1O;Oc1ccccc1Br;c1ccc(c(c1)O)Br","InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H","BROMOPHENOL","2005-08-03","2020-06-17","2-bromophenol",""],["MSQ","4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE","C17 H17 N3 O2 S","n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(SC)c3;COc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC;COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC","InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)","","1999-12-07","2011-06-04","6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine",""],["MSR","4-(1H-IMIDAZOL-1-YL)PHENOL","C9 H8 N2 O","n2ccn(c1ccc(O)cc1)c2;Oc1ccc(cc1)n2ccnc2;c1cc(ccc1n2ccnc2)O","InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H","","2007-02-06","2011-06-04","4-(1H-imidazol-1-yl)phenol",""],["2BS","ethyl 2-amino-1,3-benzothiazole-6-carboxylate","C10 H10 N2 O2 S","CCOC(=O)c1ccc2nc(N)sc2c1;CCOC(=O)c1ccc2c(c1)sc(n2)N","InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)","2-amino-benzothiazole-6-carboxylic acid ethyl ester","2009-11-03","2020-06-17","ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate",""],["MSS","(MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM","C10 H12 Mo N5 O7 P S2","O=P(O)(O)OCC2OC3NC=4N=C(N)NC(=O)C=4NC3C=1S[Mo](=O)SC=12;NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C4=C3S[Mo](=O)S4)C(=O)N1;C(C1C2=C(C3C(O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O","InChI=1S/C10H14N5O6PS2.Mo.O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;+2;/p-2/t2-,3+,9-;;/m1../s1","","2005-03-04","2011-06-04","oxo(phosphate)molybdenum",""],["2BT","2'-O-BUTYL-THYMIDINE","C14 H23 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O;CCCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CCCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O","InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1","2'-O-BUTYL-5-METHYLURIDINE","2004-12-16","2021-03-01","2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate)",""],["MST","2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE","C10 H19 N5 S","S(c1nc(nc(n1)NC(C)(C)C)NCC)C;CCNc1nc(NC(C)(C)C)nc(SC)n1;CCNc1nc(nc(n1)SC)NC(C)(C)C","InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)","","2000-01-17","2011-06-04","N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",""],["2BU","(2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACID","C14 H22 N5 O9 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCC(O)C(O)CO)CC3O;OC[CH](O)[CH](O)CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)NCC(C(CO)O)O","InChI=1S/C14H22N5O9P/c20-3-9(23)8(22)2-15-13-12-14(17-5-16-13)19(6-18-12)11-1-7(21)10(28-11)4-27-29(24,25)26/h5-11,20-23H,1-4H2,(H,15,16,17)(H2,24,25,26)/t7-,8+,9-,10+,11+/m0/s1","","2004-08-02","2011-06-04","2'-deoxy-N-[(2R,3S)-2,3,4-trihydroxybutyl]adenosine 5'-(dihydrogen phosphate)",""],["2BV","(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid","C18 H28 Cl2 N O3 P","Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C;C[CH](NC[CH](O)C[P](O)(=O)CC1CCCCC1)c2ccc(Cl)c(Cl)c2;CC(c1ccc(c(c1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O","InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1","CGP 54626","2013-09-19","2021-03-01","(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid","2013-12-11"],["MSU","SUCCINIC ACID MONOMETHYL ESTER","C5 H8 O4","O=C(O)CCC(=O)OC;COC(=O)CCC(O)=O;COC(=O)CCC(=O)O","InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)","","1999-07-08","2024-09-27","4-methoxy-4-oxobutanoic acid",""],["MSW","[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid","C13 H20 N O5 P","CCC[P](O)(=O)O[CH](CNC(=O)OC)c1ccccc1;CCCP(=O)(O)OC(CNC(=O)OC)c1ccccc1","InChI=1S/C13H20NO5P/c1-3-9-20(16,17)19-12(10-14-13(15)18-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)(H,16,17)/t12-/m1/s1","","2016-09-06","2024-09-27","[(1~{S})-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid","2017-09-13"],["2BW","(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid","C8 H20 N O4 P","O=P(O)(CCCN)C(OCC)OCC;CCOC(OCC)[P](O)(=O)CCCN;CCOC(OCC)P(=O)(CCCN)O","InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)","CGP 35348","2013-09-19","2020-06-17","(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid","2013-12-11"],["2BX","[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid","C8 H15 N O3","O=C(O)CC1OCC(NC1)(C)C;CC1(C)CO[CH](CN1)CC(O)=O;CC1(COC(CN1)CC(=O)O)C","InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1","SCH50911","2013-09-19","2021-03-01","[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid","2013-12-11"],["MSX","methyl 1,6-dithio-alpha-D-mannopyranoside","C7 H14 O4 S2","OC1C(O)C(O)C(OC1SC)CS;CS[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O;CSC1C(C(C(C(O1)CS)O)O)O","InChI=1S/C7H14O4S2/c1-13-7-6(10)5(9)4(8)3(2-12)11-7/h3-10,12H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1","1,6-DIDEOXY-DITHIO-METHYL-ALPHA-D-MANNOSE; methyl 1,6-dithio-alpha-D-mannoside; methyl 1,6-dithio-D-mannoside; methyl\n1,6-dithio-mannoside","2014-10-27","2020-07-17","methyl 1,6-dithio-alpha-D-mannopyranoside","2015-03-25"],["MSY","3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide","C10 H11 N3 O3 S","O=S(=O)(c1cccc(c1)N2N=C(CC2=O)C)N;CC1=NN(C(=O)C1)c2cccc(c2)[S](N)(=O)=O;CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N","InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)","","2011-04-01","2012-03-16","3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide",""],["2BY","phaclofen","C9 H13 Cl N O3 P","Clc1ccc(cc1)C(CP(=O)(O)O)CN;NC[CH](C[P](O)(O)=O)c1ccc(Cl)cc1;c1cc(ccc1C(CN)CP(=O)(O)O)Cl","InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1","[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid","2013-09-19","2020-06-17","[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid","2013-12-11"],["MSZ","(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid","C15 H10 Cl F3 O3","Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O;OC(=O)[CH](Oc1cccc(c1)C(F)(F)F)c2ccc(Cl)cc2;c1cc(cc(c1)OC(c2ccc(cc2)Cl)C(=O)O)C(F)(F)F","InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m0/s1","Metaglidasen (S enantiomer)","2014-04-09","2021-03-01","(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid","2015-02-11"],["2BZ","5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine","C17 H10 Cl N5 O2","Cc1nnc2nc3ccc(cc3c(nc12)c4ccccc4Cl)[N+]([O-])=O;Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl","InChI=1S/C17H10ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,1H3","","2010-01-19","2011-06-04","5-(2-chlorophenyl)-3-methyl-7-nitro-pyrazolo[3,4-b][1,4]benzodiazepine",""],["MT0","1-CHLORO-4-METHYLPHTHALAZINE","C9 H7 Cl N2","Clc2nnc(c1c2cccc1)C;Cc1nnc(Cl)c2ccccc12;Cc1c2ccccc2c(nn1)Cl","InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3","","2010-05-07","2011-06-04","1-chloro-4-methylphthalazine",""],["2C0","baclofen","C10 H12 Cl N O2","Clc1ccc(cc1)C(CN)CC(=O)O;NC[CH](CC(O)=O)c1ccc(Cl)cc1;c1cc(ccc1C(CC(=O)O)CN)Cl","InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1","(3R)-4-amino-3-(4-chlorophenyl)butanoic acid","2013-09-19","2020-06-17","(3R)-4-amino-3-(4-chlorophenyl)butanoic acid","2013-12-11"],["MT1","N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID","C20 H23 N8 O5","O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)[nH+]c(nc3N)N)CCC(=O)O;CN(Cc1cnc2[nH+]c(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p+1/t13-/m0/s1","METHOTREXATE PROTONATED AT N1","2006-10-25","2021-03-01","N-[(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid",""],["2C1","N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","C16 H20 Br N5 O5 S2","O=S(=O)(c1sc(c(c1)C)CCOC)NC(=O)Nc2nc(NC(=O)NC)cc(Br)c2;CNC(=O)Nc1cc(Br)cc(NC(=O)N[S](=O)(=O)c2sc(CCOC)c(C)c2)n1;Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br","InChI=1S/C16H20BrN5O5S2/c1-9-6-14(28-11(9)4-5-27-3)29(25,26)22-16(24)21-13-8-10(17)7-12(19-13)20-15(23)18-2/h6-8H,4-5H2,1-3H3,(H4,18,19,20,21,22,23,24)","","2013-09-19","2013-11-01","N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide","2013-11-06"],["MT2","[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium","C7 H16 N O2 S","O=C(O)C(N)CC[S+](C)CC;CC[S+](C)CC[CH](N)C(O)=O;CC[S+](C)CCC(C(=O)O)N","InChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1","S-ethyl-L-Methionine","2008-02-18","2024-09-27","[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium",""],["2C2","(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID","C10 H8 O4","O=C(O)C2(O)Oc1ccccc1C=C2;OC(=O)[C]1(O)Oc2ccccc2C=C1;c1ccc2c(c1)C=CC(O2)(C(=O)O)O","InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)/t10-/m0/s1","","2006-10-26","2011-06-04","(2S)-2-hydroxy-2H-chromene-2-carboxylic acid",""],["2C3","N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide","C25 H22 Cl2 N6 O4","Clc1cccc(c1)C(NC(=O)c2cc(c(Cl)cc2)NC(=O)C4=Cc3c(nc(nc3)OC)NC4=O)CCN;COc1ncc2C=C(C(=O)Nc3cc(ccc3Cl)C(=O)N[CH](CCN)c4cccc(Cl)c4)C(=O)Nc2n1;COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c4cccc(c4)Cl","InChI=1S/C25H22Cl2N6O4/c1-37-25-29-12-15-10-17(24(36)32-21(15)33-25)23(35)31-20-11-14(5-6-18(20)27)22(34)30-19(7-8-28)13-3-2-4-16(26)9-13/h2-6,9-12,19H,7-8,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36)/t19-/m1/s1","","2013-09-19","2013-12-06","N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide","2013-12-11"],["MT3","2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one","C29 H24 F N3 O4","Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C3=CN=C(N(C3=O)C)Cc4ccccc4)c5;COc1cc2nccc(Oc3ccc(cc3F)C4=CN=C(Cc5ccccc5)N(C)C4=O)c2cc1OC;CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5","InChI=1S/C29H24FN3O4/c1-33-28(13-18-7-5-4-6-8-18)32-17-21(29(33)34)19-9-10-25(22(30)14-19)37-24-11-12-31-23-16-27(36-3)26(35-2)15-20(23)24/h4-12,14-17H,13H2,1-3H3","","2008-09-15","2011-06-04","2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one",""],["MT4","5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one","C28 H22 F2 N4 O4","Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C4=CN=C(Nc3ccc(F)cc3)N(C4=O)C)c5;COc1cc2nccc(Oc3ccc(cc3F)C4=CN=C(Nc5ccc(F)cc5)N(C)C4=O)c2cc1OC;CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC","InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)","","2008-09-15","2011-06-04","5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one",""],["2C4","methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate","C17 H13 Cl N4 O5","O=C(OC)c1cc(c(Cl)cc1)NC(=O)C3=Cc2c(nc(nc2)OC)NC3=O;COC(=O)c1ccc(Cl)c(NC(=O)C2=Cc3cnc(OC)nc3NC2=O)c1;COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC","InChI=1S/C17H13ClN4O5/c1-26-16(25)8-3-4-11(18)12(6-8)20-14(23)10-5-9-7-19-17(27-2)22-13(9)21-15(10)24/h3-7H,1-2H3,(H,20,23)(H,19,21,22,24)","","2013-09-19","2013-12-06","methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate","2013-12-11"],["MT5","N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM","C15 H30 N3 O4","OC2C1N(C(/NC1)=[NH+]CCCCCCCC)C(O)C(O)C2O;CCCCCCCC[NH+]=C1NC[CH]2[CH](O)[CH](O)[CH](O)[CH](O)N12;CCCCCCCC[NH+]=C1NCC2N1C(C(C(C2O)O)O)O","InChI=1S/C15H29N3O4/c1-2-3-4-5-6-7-8-16-15-17-9-10-11(19)12(20)13(21)14(22)18(10)15/h10-14,19-22H,2-9H2,1H3,(H,16,17)/p+1/t10-,11-,12+,13-,14-/m1/s1","","2009-03-23","2011-06-04","N-[(3E,5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2H)-ylidene]octan-1-aminium",""],["2C5","2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE","C25 H17 Cl2 N5 O","Clc1cccc(c1)c2cc(C#N)c(Cl)nc2COC(c3cncn3C)c4ccc(C#N)cc4;Cn1cncc1[CH](OCc2nc(Cl)c(cc2c3cccc(Cl)c3)C#N)c4ccc(cc4)C#N;Cn1cncc1C(c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl","InChI=1S/C25H17Cl2N5O/c1-32-15-30-13-23(32)24(17-7-5-16(11-28)6-8-17)33-14-22-21(10-19(12-29)25(27)31-22)18-3-2-4-20(26)9-18/h2-10,13,15,24H,14H2,1H3/t24-/m1/s1","","2003-01-16","2011-06-04","2-chloro-5-(3-chlorophenyl)-6-{[(R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}pyridine-3-carbonitrile",""],["MT6","methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate","C15 H11 N O4","c3c(c1cc2c(o1)C=CNC2=O)cccc3C(=O)OC;COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2;COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O","InChI=1S/C15H11NO4/c1-19-15(18)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8H,1H3,(H,16,17)","","2015-03-04","2015-09-18","methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate","2015-09-23"],["2C6","3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide","C25 H25 N5 O3 S","O=C4c5ccccc5N=C(SCCC(=O)NC3CCC(c1nnc(o1)c2ccccc2)CC3)N4;O=C(CCSC1=Nc2ccccc2C(=O)N1)N[CH]3CC[CH](CC3)c4oc(nn4)c5ccccc5;c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4","InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18-","","2013-09-19","2013-12-20","3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide","2013-12-25"],["2C7","2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate","C16 H21 N O5 S2","O=S(=O)(Oc1ccc2c(c1)S(=O)(=O)C(=C2)CC3CCCCCC3)N;N[S](=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)[S](=O)(=O)c2c1;c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3","InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)","","2008-06-09","2011-06-04","2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate",""],["MT7","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose","C42 H72 O36","OC7C(O)C(O)C(OC7OC1C(O)C(O)C(OC1CO)OC2C(O)C(O)C(OC2CO)OC6C(OC(OC5C(OC(OC4C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC4CO)C(O)C5O)CO)C(O)C6O)CO)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O)O[CH]7CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O","InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1","","2008-03-27","2011-08-06","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["MT8","(1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one","C13 H15 N O2","O=C3N2c1c(cccc1C(O)(CC2)C)CC3;C[C]1(O)CCN2C(=O)CCc3cccc1c23;CC1(CCN2c3c1cccc3CCC2=O)O","InChI=1S/C13H15NO2/c1-13(16)7-8-14-11(15)6-5-9-3-2-4-10(13)12(9)14/h2-4,16H,5-8H2,1H3/t13-/m1/s1","","2013-02-05","2013-05-17","(1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one","2013-05-22"],["2C8","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide","C25 H19 N5 O3","O=C1c5ccccc5N=C(N1)CCC(=O)Nc4ccc(c2nnc(o2)c3ccccc3)cc4;O=C(CCC1=Nc2ccccc2C(=O)N1)Nc3ccc(cc3)c4oc(nn4)c5ccccc5;c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4","InChI=1S/C25H19N5O3/c31-22(15-14-21-27-20-9-5-4-8-19(20)23(32)28-21)26-18-12-10-17(11-13-18)25-30-29-24(33-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,31)(H,27,28,32)","","2013-09-19","2013-12-20","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide","2013-12-25"],["2C9","3-methylbenzene-1,2-diamine","C7 H10 N2","Nc1c(cccc1N)C;Cc1cccc(N)c1N;Cc1cccc(c1N)N","InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3","","2013-09-20","2014-04-11","3-methylbenzene-1,2-diamine","2014-04-16"],["MT9","(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside","C25 H43 N O7","O=C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(N(C)C)C1O)C)C2C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=C[C]1(C)O;CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(C)O","InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1","methymycin","2009-04-22","2021-03-01","(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",""],["MTA","5'-DEOXY-5'-METHYLTHIOADENOSINE","C11 H15 N5 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N;CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","","1999-07-08","2011-06-04","5'-S-methyl-5'-thioadenosine",""],["2CA","BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE","C26 H30 N4 O6 S","O=S(=O)(c1ncccc1)N4CC(=O)C(NC(=O)C(NC(=O)c3oc2ccccc2c3)CC(C)C)CCC4;CC(C)C[CH](NC(=O)c1oc2ccccc2c1)C(=O)N[CH]3CCCN(CC3=O)[S](=O)(=O)c4ccccn4;CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3","InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1","","2003-01-09","2024-09-27","N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide",""],["MTB","2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","C17 H18 N2 O3","O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C;CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O;CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(=O)O","InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+","","1999-07-08","2011-06-04","2-[(E)-(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzoic acid",""],["2CB","6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE","C18 H29 N7 O2 S","O=S(=O)(Nc1c(n(nc1C)C)C)c2ccc(nc2)NCCN3CCN(C)CC3;CN1CCN(CCNc2ccc(cn2)[S](=O)(=O)Nc3c(C)nn(C)c3C)CC1;Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C","InChI=1S/C18H29N7O2S/c1-14-18(15(2)24(4)21-14)22-28(26,27)16-5-6-17(20-13-16)19-7-8-25-11-9-23(3)10-12-25/h5-6,13,22H,7-12H2,1-4H3,(H,19,20)","","2011-09-29","2014-09-05","6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyridine-3-sulfonamide",""],["MTC","[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER","C18 H17 N O4 S3","O=C(OC)NC2=C1C(=C/CSSSC)C(C#CC=CC#CC1)(O)CC2=O;COC(=O)NC1=C2CC#CC=CC#C[C](O)(CC1=O)C2=CCSSSC;COC(=O)NC1=C2CC#CC=CC#CC(C2=CCSSSC)(CC1=O)O","InChI=1S/C18H17NO4S3/c1-23-17(21)19-16-13-8-6-4-3-5-7-10-18(22,12-15(16)20)14(13)9-11-25-26-24-2/h3,5,9,22H,8,11-12H2,1-2H3,(H,19,21)/b5-3-,14-9+/t18-/m0/s1","","1999-07-08","2011-06-04","methyl {(1R,4Z,13E)-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate",""],["2CC","3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid","C22 H13 Cl2 N3 O4","Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4;OC(=O)c1[nH]c(C(O)=O)c(c2c[nH]c3c(Cl)cccc23)c1c4c[nH]c5c(Cl)cccc45;c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl","InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)","11,11'-Dichlorochromopyrrolic Acid","2009-04-13","2020-06-17","3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid",""],["MTD","[METHYLTELLURO]ACETATE","C3 H5 O2 Te","[O-]C(=O)C[Te]C;C[Te]CC([O-])=O;C[Te]CC(=O)[O-]","InChI=1S/C3H6O2Te/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1","","2000-03-27","2011-06-04","(methyltellanyl)acetate",""],["2CD","3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE","C23 H28 Cl2 N4 O2 S","Clc2cc(c1cccc(c1)CN(CC)CC)cc(Cl)c2S(=O)(=O)Nc3c(n(nc3C)C)C;CCN(CC)Cc1cccc(c1)c2cc(Cl)c(c(Cl)c2)[S](=O)(=O)Nc3c(C)nn(C)c3C;CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl","InChI=1S/C23H28Cl2N4O2S/c1-6-29(7-2)14-17-9-8-10-18(11-17)19-12-20(24)23(21(25)13-19)32(30,31)27-22-15(3)26-28(5)16(22)4/h8-13,27H,6-7,14H2,1-5H3","","2011-09-29","2014-09-05","3,5-dichloro-3'-[(diethylamino)methyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)biphenyl-4-sulfonamide",""],["MTE","PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER","C10 H14 N5 O6 P S2","O=P(O)(O)OCC2OC3NC=1N=C(NC(=O)C=1NC3C(S)=C2S)N;NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C(=C3S)S)C(=O)N1;C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O","InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1","","1999-07-08","2011-06-04","[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate",""],["2CE","N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE","C24 H31 Cl N6 O5 S","Clc2ccc(SCC(=O)NC(C(=O)NCCOCCOCC(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2;NC(=N)Nc1ccc(C[CH](NC(=O)CSc2ccc(Cl)cc2)C(=O)NCCOCCOCC(N)=O)cc1;[H]N=C(N)Nc1ccc(cc1)CC(C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl","InChI=1S/C24H31ClN6O5S/c25-17-3-7-19(8-4-17)37-15-22(33)31-20(13-16-1-5-18(6-2-16)30-24(27)28)23(34)29-9-10-35-11-12-36-14-21(26)32/h1-8,20H,9-15H2,(H2,26,32)(H,29,34)(H,31,33)(H4,27,28,30)/t20-/m0/s1","","2005-07-04","2011-06-04","N-{2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl}-4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide",""],["2CF","(2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate","C15 H27 F O7 P2","O=P(O)(O)OP(=O)(OCC(/F)=C(/C)CCC=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C","InChI=1S/C15H27FO7P2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-22-25(20,21)23-24(17,18)19/h7,9H,5-6,8,10-11H2,1-4H3,(H,20,21)(H2,17,18,19)/b13-9+,15-14+","","2010-03-23","2011-06-04","(2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate",""],["MTF","N-METHYLTHIOFORMAMIDE","C2 H5 N S","S=CNC;CNC=S;CNC=S","InChI=1S/C2H5NS/c1-3-2-4/h2H,1H3,(H,3,4)","","1999-07-08","2011-06-04","N-methylthioformamide",""],["MTG","[METHYLTHIO]ACETATE","C3 H5 O2 S","[O-]C(=O)CSC;CSCC([O-])=O;CSCC(=O)[O-]","InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1","","2000-03-27","2011-06-04","(methylsulfanyl)acetate",""],["2CG","(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid","C7 H9 N O6","O=C(O)C1C(C(=O)O)C1C(N)C(=O)O;N[CH]([CH]1[CH]([CH]1C(O)=O)C(O)=O)C(O)=O;C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N","InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1","(2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine; DCG IV","2007-07-16","2020-01-25","(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid",""],["MTH","2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL","C12 H16 N4 O3 S","S(C)CC3OC(n2ccc1c(ncnc12)N)C(O)C3O;CSC[CH]1O[CH]([CH](O)[CH]1O)n2ccc3c(N)ncnc23;CSCC1C(C(C(O1)n2ccc3c2ncnc3N)O)O","InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1","5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN","2002-12-12","2021-03-01","7-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["2CH","2-CHLOROPHENOL","C6 H5 Cl O","Clc1ccccc1O;Oc1ccccc1Cl;c1ccc(c(c1)O)Cl","InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H","","2004-11-04","2011-06-04","2-chlorophenol",""],["MTI","3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM","C12 H17 N4 O3 S","O=C1c2c(N=CN1)c(cn2)C3[NH2+]C(CSC)C(O)C3O;CSC[CH]1[NH2+][CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC=Nc23;CSCC1C(C(C([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O","InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1","(1S)-1-(0-DEAZAHYPOXANTHIN-9-YL)-1,4-DIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL; MT-IMMUCILLIN-H; MT-IMMH","2003-08-25","2020-05-27","(2S,3R,4S,5S)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium",""],["2CJ","(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid","C26 H32 N2 O3","O=C(O)CC1(CCCC1)CC(=O)N4CCN(C(c2ccccc2)c3ccccc3)CC4;OC(=O)CC1(CCCC1)CC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4;c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O","InChI=1S/C26H32N2O3/c29-23(19-26(20-24(30)31)13-7-8-14-26)27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,25H,7-8,13-20H2,(H,30,31)","","2010-07-30","2012-03-30","(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid",""],["MTJ","N,O-DIMETHYL-L-TYROSINE","C11 H15 N O3","O=C(O)C(NC)Cc1ccc(OC)cc1;CN[CH](Cc1ccc(OC)cc1)C(O)=O;CNC(Cc1ccc(cc1)OC)C(=O)O","InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1","","2004-04-15","2011-06-04","N,O-dimethyl-L-tyrosine",""],["2CK","1,2,3,4-tetrahydroisoquinoline","C9 H11 N","c1ccc2c(c1)CNCC2;C1Cc2ccccc2CN1;c1ccc2c(c1)CCNC2","InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2","","2013-09-20","2014-04-11","1,2,3,4-tetrahydroisoquinoline","2014-04-16"],["MTK","MONTELUKAST","C35 H36 Cl N O3 S","CC(C)(O)c1ccccc1CC[CH](SCC2(CC2)CC(O)=O)c3cccc(C=Cc4ccc5ccc(Cl)cc5n4)c3;CC(C)(c1ccccc1CCC(c2cccc(c2)C=Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O","InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1","2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]\ncyclopropyl]ethanoic acid","2006-10-26","2020-06-17","2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoic acid",""],["2CL","(2,6-DICHLOROPHENYL)ACETIC ACID","C8 H6 Cl2 O2","Clc1cccc(Cl)c1CC(=O)O;OC(=O)Cc1c(Cl)cccc1Cl;c1cc(c(c(c1)Cl)CC(=O)O)Cl","InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)","","2006-10-17","2011-06-04","(2,6-dichlorophenyl)acetic acid",""],["MTL","D-MANNITOL","C6 H14 O6","OC(C(O)CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)CO;C(C(C(C(C(CO)O)O)O)O)O","InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1","","2002-07-10","2011-06-04","D-mannitol",""],["2CM","2-CHLORO-6-METHYL-ANILINE","C7 H8 Cl N","Clc1cccc(c1N)C;Cc1cccc(Cl)c1N;Cc1cccc(c1N)Cl","InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3","","2003-03-27","2011-06-04","2-chloro-6-methylaniline",""],["MTM","(3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL","C12 H19 N5 O2 S","OC3C(O)C(c2c1N=CNC(N)c1nc2)NC3CSC;CSC[CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3[CH](N)NC=Nc23;CSCC1C(C(C(N1)c2c[nH]c3c2N=CNC3N)O)O","InChI=1S/C12H19N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-12,14,17-19H,3,13H2,1H3,(H,15,16)/t6-,8+,10-,11+,12?/m1/s1","(1S)-1-(9-DEAZAADENIN-9-YL)-1,4,5-TRIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL","2001-10-09","2021-03-13","(2S,3S,4R,5S)-2-[(4R)-4-amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl]-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol",""],["2CN","5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid","C22 H27 Br O3 S","Brc2cc(c(SCc1cccc(OCCCCCCCC)c1)cc2)C(=O)O;CCCCCCCCOc1cccc(CSc2ccc(Br)cc2C(O)=O)c1;CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br","InChI=1S/C22H27BrO3S/c1-2-3-4-5-6-7-13-26-19-10-8-9-17(14-19)16-27-21-12-11-18(23)15-20(21)22(24)25/h8-12,14-15H,2-7,13,16H2,1H3,(H,24,25)","","2010-08-10","2012-03-30","5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid",""],["2CO","S-HYDROPEROXYCYSTEINE","C3 H7 N O4 S","O=C(O)C(N)CSOO;N[CH](CSOO)C(O)=O;C(C(C(=O)O)N)SOO","InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9-8-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","2007-01-16","2024-09-27","S-hydroperoxy-L-cysteine",""],["MTN","S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate","C10 H18 N O3 S2","ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C;CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O];CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C","InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3","MTSL","2003-12-10","2024-09-27","S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",""],["MTO","BOUND WATER","H2 O","O;O;O","InChI=1/H2O/h1H2","","1999-07-08","2008-10-14","water",""],["2CP","2-CARBOXYPROPYL-COENZYME A","C25 H42 N7 O18 P3 S","O=C(O)C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;C[CH](CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)=O;CC(CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O","InChI=1S/C25H42N7O18P3S/c1-13(24(37)38)9-54-7-6-27-15(33)4-5-28-22(36)19(35)25(2,3)10-47-53(44,45)50-52(42,43)46-8-14-18(49-51(39,40)41)17(34)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,4-10H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1","","1999-07-08","2011-06-04","(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)",""],["2CQ","4-chloro-5-methylbenzene-1,2-diamine","C7 H9 Cl N2","Clc1cc(c(N)cc1C)N;Cc1cc(N)c(N)cc1Cl;Cc1cc(c(cc1Cl)N)N","InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3","","2013-09-20","2014-04-25","4-chloro-5-methylbenzene-1,2-diamine","2014-04-30"],["MTP","2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL","C11 H14 N4 O4 S","n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO;CSc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;CSc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1","9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE","2003-06-23","2021-03-01","6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine",""],["MTQ","(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI)","C10 H8 Mo N5 O8 P S2","O=C2N=C(N=C3NC4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)(O)O)N;NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[CH]3NC2=N1;C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O","InChI=1S/C10H10N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h9,23-24H,1H2,(H2,17,18,19)(H3,11,13,14,15,16);;;/q;+2;;/p-2/t9-;;;/m1.../s1","","2003-05-08","2011-06-04","dioxo(phosphate)molybdenum",""],["2CR","(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid","C28 H43 N O6","O=C(O)C1CCCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CC=CC2)C;C[CH]1C[CH](C)C[CH](C)[CH](O)C(=CC=CC[CH](OC(=O)C[CH](O)[CH](C)C1)[CH]2CCC[CH]2C(O)=O)C#N;CC1CC(CC(C(C(=CC=CCC(OC(=O)CC(C(C1)C)O)C2CCCC2C(=O)O)C#N)O)C)C","InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1","Borrelidin","2014-03-19","2021-03-01","(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid","2015-03-11"],["MTR","(5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN-3-YL)-1,2-DIDEOXY-RIBOFURANOSE-5-MONOPHOSPHATE","C11 H16 N O7 P","O=P(OCC2OC(C=1C=C(C(=O)NC=1)C)CC2O)(O)O;CC1=CC(=CNC1=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CC1=CC(=CNC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9+,10+/m0/s1","","2003-01-09","2011-06-04","(1R)-1,4-anhydro-2-deoxy-1-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-O-phosphono-D-erythro-pentitol",""],["2CS","3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID","C34 H35 Cl N2 O3 S","O=C(O)C(C)(C)Cc4c(SC(C)(C)C)c3cc(OCc1nc2c(cc1)cccc2)ccc3n4Cc5ccc(Cl)cc5;CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c3ccc(OCc4ccc5ccccc5n4)cc13;CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4","InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)","","2007-06-15","2011-06-04","3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid",""],["MTS","(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE","C9 H14 N2 O4 S3","O=S(=O)(c1sc2c(c1)C(NC)CC(C)S2(=O)=O)N;CN[CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O;CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC","InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1","","1999-07-08","2011-06-04","(4S,6S)-6-methyl-4-(methylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide",""],["2CT","(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","C16 H18 N O7 P","O=P(O)(O)c2ccccc2OCC(=O)Nc1cc(OC)ccc1OC;COc1ccc(OC)c(NC(=O)COc2ccccc2[P](O)(O)=O)c1;COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC","InChI=1S/C16H18NO7P/c1-22-11-7-8-13(23-2)12(9-11)17-16(18)10-24-14-5-3-4-6-15(14)25(19,20)21/h3-9H,10H2,1-2H3,(H,17,18)(H2,19,20,21)","","2011-07-29","2012-12-21","(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid","2012-12-21"],["MTT","MALTOTETRAOSE","C24 H42 O21","O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O)O[CH]4CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O","InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1","","1999-07-08","2020-07-17","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["2CU","3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide","C19 H24 Cl N5 O3 S","Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C;CN1CCN(CC1)C(=O)COc2nc3sc(C(=O)NC4CC4)c(N)c3c(C)c2Cl;Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N","InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)","LY2119620 positive allosteric modulator of M2/M4 receptor","2013-09-20","2020-06-17","3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide","2013-11-27"],["MTU","9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AMINE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)C(O)C3O;Nc1ncc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1","","2004-04-09","2011-06-04","9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-2-amine",""],["2CV","HEGA-10","C18 H37 N O7","CCCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO;CCCCCCCCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O","InChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1","","2010-11-30","2011-06-04","N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]decanamide",""],["2CW","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide","C22 H19 N3 O4","O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)(C)C(O)C;C[CH](O)[C](C)(NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O;CC(C(C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O","InChI=1S/C22H19N3O4/c1-15(26)22(2,21(28)25-29)24-20(27)18-11-7-16(8-12-18)5-3-4-6-17-9-13-19(23)14-10-17/h7-15,26H,23H2,1-2H3,(H,24,27)/t15-,22+/m1/s1","","2013-09-20","2013-10-18","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide","2013-10-23"],["MTV","(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(IV)","C10 H9 Mo N5 O8 P S2","O=C2N=C(N=C3NC4OC(=C1S[Mo-](=O)(SC1=C4N=C23)O)COP(=O)(O)O)N;NC1=NC(=O)C2=NC3=C4S[Mo-](O)(=O)SC4=C(CO[P](O)(O)=O)O[CH]3NC2=N1;C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo-](=O)(S2)O)OP(=O)(O)O","InChI=1S/C10H10N5O6PS2.Mo.H2O.O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h9,23-24H,1H2,(H2,17,18,19)(H3,11,13,14,15,16);;1H2;/q;+2;;/p-3/t9-;;;/m1.../s1","","2005-01-21","2011-06-04","hydroxy(oxo)(phosphate)molibdate(1-)",""],["MTW","HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM","C19 H15 N7 O2","[O-][N+](=O)c4cccc(N=C1N=CCC(=N1)c2cc(ccc2)Cn3ncnc3)c4;[O-][N+](=O)c1cccc(c1)N=C2N=CCC(=N2)c3cccc(Cn4cncn4)c3;c1cc(cc(c1)C2=NC(=Nc3cccc(c3)[N+](=O)[O-])N=CC2)Cn4cncn4","InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2/b23-19-","","2005-11-03","2012-01-05","3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline",""],["2CX","N-[(2S)-3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide","C21 H22 N2 O4 S","O=S(=O)(N(Cc1occc1)CC(O)Cn4c2ccccc2c3ccccc34)C;C[S](=O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc4occc4;CS(=O)(=O)N(Cc1ccco1)CC(Cn2c3ccccc3c4c2cccc4)O","InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3/t16-/m1/s1","","2013-09-20","2013-10-11","N-[(2S)-3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide","2013-10-16"],["MTX","METHOTREXATE","C20 H22 N8 O5","O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O;CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1","","1999-07-08","2024-09-27","N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid",""],["2CY","5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine","C17 H17 F N4 O2","Fc3cccc(OCCCOc2c1c(nc(nc1N)N)ccc2)c3;Nc1nc(N)c2c(OCCCOc3cccc(F)c3)cccc2n1;c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N","InChI=1S/C17H17FN4O2/c18-11-4-1-5-12(10-11)23-8-3-9-24-14-7-2-6-13-15(14)16(19)22-17(20)21-13/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)","","2009-08-25","2011-06-04","5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine",""],["MTY","META-TYROSINE","C9 H11 N O3","O=C(O)C(N)Cc1cc(O)ccc1;N[CH](Cc1cccc(O)c1)C(O)=O;c1cc(cc(c1)O)CC(C(=O)O)N","InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1","","1999-07-08","2024-09-27","3-hydroxy-L-phenylalanine",""],["2CZ","N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide","C8 H16 N2 O4","O=C(NC1CNCC(O)C(O)C1O)C;CC(=O)N[CH]1CNC[CH](O)[CH](O)[CH]1O;CC(=O)NC1CNCC(C(C1O)O)O","InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6-,7+,8+/m0/s1","","2013-09-20","2013-10-25","N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide","2013-10-30"],["2D0","4-chloro-1,3-benzothiazol-2-amine","C7 H5 Cl N2 S","Clc2cccc1sc(nc12)N;Nc1sc2cccc(Cl)c2n1;c1cc2c(c(c1)Cl)nc(s2)N","InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)","","2013-09-23","2014-05-09","4-chloro-1,3-benzothiazol-2-amine","2014-05-14"],["MTZ","4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE","C18 H20 N6 O S","N2=C(c1sc(nc1C)N)CC=NC/2=Nc4ccc(N3CCOCC3)cc4;Cc1nc(N)sc1C2=NC(N=CC2)=Nc3ccc(cc3)N4CCOCC4;Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2","InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18-","","2005-11-01","2011-06-04","4-methyl-5-{(2Z)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine",""],["MU0","(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE","C37 H45 N5 O6","O=C5OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)CN5c4ccccc4;CC(C)[CH](N1CCCNC1=O)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)O3)c4ccccc4)Cc5ccccc5;CC(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)C3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O","InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1","","2007-06-01","2011-06-04","(5S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide",""],["2D1","N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide","C15 H20 N2 O2 S2","O=S(=O)(NCCC(C)C)c2ccc(c1nc(sc1)C)cc2;CC(C)CCN[S](=O)(=O)c1ccc(cc1)c2csc(C)n2;Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C","InChI=1S/C15H20N2O2S2/c1-11(2)8-9-16-21(18,19)14-6-4-13(5-7-14)15-10-20-12(3)17-15/h4-7,10-11,16H,8-9H2,1-3H3","","2013-08-13","2014-06-20","N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide","2014-06-25"],["MU1","N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE","C37 H44 N4 O7","O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)C)C(C)C)Cc2ccccc2)CN4c3cccc(C(=O)C)c3;CC(C)[CH](NC(C)=O)C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CN(C(=O)O2)c3cccc(c3)C(C)=O)Cc4ccccc4;CC(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)C3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C","InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1","","2007-06-01","2011-06-04","N~2~-acetyl-N-[(1S,3S,4S)-4-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-L-valinamide",""],["2D2","2-methyl-5-phenylfuran-3-carboxylic acid","C12 H10 O3","O=C(O)c1cc(oc1C)c2ccccc2;Cc1oc(cc1C(O)=O)c2ccccc2;Cc1c(cc(o1)c2ccccc2)C(=O)O","InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)","","2013-09-20","2015-01-09","2-methyl-5-phenylfuran-3-carboxylic acid","2015-01-14"],["MU2","N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE","C19 H32 N4 O11","O=C(O)C(NC(=O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C)CCC(=O)N;C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(=O)N[CH](CCC(N)=O)C(O)=O;CC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C","InChI=1S/C19H32N4O11/c1-7(16(28)23-10(18(30)31)4-5-12(20)26)21-17(29)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)27/h7-8,10-11,13-15,19,24,27,32H,4-6H2,1-3H3,(H2,20,26)(H,21,29)(H,22,25)(H,23,28)(H,30,31)/t7-,8+,10+,11+,13+,14+,15+,19-/m0/s1","","2006-07-11","2020-07-03","(2R)-2-{[(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name)",""],["2D3","METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE","C9 H9 N3 O3","O=C(OC)c2c(nnc2c1oncc1)C;COC(=O)c1c(C)[nH]nc1c2oncc2;Cc1c(c(n[nH]1)c2ccno2)C(=O)OC","InChI=1S/C9H9N3O3/c1-5-7(9(13)14-2)8(12-11-5)6-3-4-10-15-6/h3-4H,1-2H3,(H,11,12)","","2011-03-25","2011-06-10","methyl 3-isoxazol-5-yl-5-methyl-1H-pyrazole-4-carboxylate",""],["2D4","N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE","C20 H15 N O4 S2","O=S(=O)(Nc3cc(c2c1ccccc1ccc2O)c(O)cc3)c4sccc4;Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34;c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O","InChI=1S/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H","","2011-03-25","2011-06-10","N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide",""],["MU3","(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C15 H16 N4 O2","O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21;O=C(Nc1nncn1C2CC2)[CH]3CCOc4ccccc34;c1ccc2c(c1)C(CCO2)C(=O)Nc3nncn3C4CC4","InChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1","","2023-08-16","2023-11-03","(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["MU4","N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C27 H54 N3 O8 P","OP(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCCCCCC)=O)C)(=O)O;CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C27H54N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h25,33H,4-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/t25-/m0/s1","","2019-04-15","2024-09-27","N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2020-04-22"],["2D5","5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine","C23 H29 N7 O4 S","O=C(NCCCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C5NCc4ccccc4C5;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCNC(=O)[CH]4Cc5ccccc5CN4)[CH](O)[CH]3O;c1ccc2c(c1)CC(NC2)C(=O)NCCCSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C23H29N7O4S/c24-20-17-21(28-11-27-20)30(12-29-17)23-19(32)18(31)16(34-23)10-35-7-3-6-25-22(33)15-8-13-4-1-2-5-14(13)9-26-15/h1-2,4-5,11-12,15-16,18-19,23,26,31-32H,3,6-10H2,(H,25,33)(H2,24,27,28)/t15-,16-,18-,19-,23-/m1/s1","","2013-09-21","2014-10-10","5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine","2014-10-15"],["2D6","N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide","C24 H24 N4 O3 S","N#Cc4ccc(OC3CCC(NC(=O)CCSC2=Nc1c(cccc1)C(=O)N2)CC3)cc4;O=C(CCSC1=Nc2ccccc2C(=O)N1)N[CH]3CC[CH](CC3)Oc4ccc(cc4)C#N;c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N","InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19-","","2013-09-23","2013-12-20","N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide","2013-12-25"],["MU5","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide","C20 H23 N5 O2","O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)N4CCCCC4;c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4","InChI=1S/C20H23N5O2/c26-19(23-16-12-14-6-2-3-7-15(14)13-16)17-18(22-9-8-21-17)24-20(27)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-13H2,(H,23,26)(H,22,24,27)","","2019-10-22","2020-11-13","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide","2020-11-18"],["MU6","dimethylpropanedioic acid","C5 H8 O4","O=C(O)C(C)(C)C(=O)O;CC(C)(C(O)=O)C(O)=O;CC(C)(C(=O)O)C(=O)O","InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)","","2022-03-17","2022-05-27","dimethylpropanedioic acid","2022-06-01"],["2D7","N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE","C18 H14 Cl N3 O4","O=C(c1ccc(cc1)NC(=O)c3cnnc3c2c(O)cc(O)c(Cl)c2)C;CC(=O)c1ccc(NC(=O)c2cn[nH]c2c3cc(Cl)c(O)cc3O)cc1;CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl","InChI=1S/C18H14ClN3O4/c1-9(23)10-2-4-11(5-3-10)21-18(26)13-8-20-22-17(13)12-6-14(19)16(25)7-15(12)24/h2-8,24-25H,1H3,(H,20,22)(H,21,26)","","2005-08-02","2011-06-04","N-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide",""],["MU7","N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide","C20 H19 I N2 O4","Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O;COc1ccc(OC)c2C=C(CCNC(=O)c3ccccc3I)C(=O)Nc12;COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC","InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)","","2019-04-16","2020-04-10","N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide","2020-04-15"],["2D8","(2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid","C6 H14 N O4 P","O=P(O)(C(N)C)CC(C(=O)O)C;C[CH](N)[P](O)(=O)C[CH](C)C(O)=O;CC(CP(=O)(C(C)N)O)C(=O)O","InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5-/m0/s1","","2013-09-25","2013-10-04","(2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid","2013-10-09"],["MU8","(2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide","C26 H24 Cl N3 O3","N[CH]1COc2cc(ccc12)C(=O)N3C[CH](C[CH]3C(=O)Nc4cccc(Cl)c4)c5ccccc5;c1ccc(cc1)C2CC(N(C2)C(=O)c3ccc4c(c3)OCC4N)C(=O)Nc5cccc(c5)Cl","InChI=1S/C26H24ClN3O3/c27-19-7-4-8-20(13-19)29-25(31)23-11-18(16-5-2-1-3-6-16)14-30(23)26(32)17-9-10-21-22(28)15-33-24(21)12-17/h1-10,12-13,18,22-23H,11,14-15,28H2,(H,29,31)/t18-,22+,23-/m0/s1","","2019-10-23","2020-07-03","(2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide","2020-07-08"],["2D9","4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL","C21 H23 Cl N4 O4 S","Clc1cc(c(O)cc1O)c4nncc4N3CCN(Cc2ccc(cc2)S(=O)(=O)C)CC3;C[S](=O)(=O)c1ccc(CN2CCN(CC2)c3cn[nH]c3c4cc(Cl)c(O)cc4O)cc1;CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl","InChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24)","","2006-01-18","2011-06-04","4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol",""],["2DA","2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O5 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3;Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)O)N","InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1","","1999-07-08","2024-09-27","[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate",""],["MU9","2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","C21 H27 Cl2 F2 N3 O2","FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl;c1cc(ccc1NC2(CCC(CC2)(F)F)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29)","","2022-08-04","2024-09-27","2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["MUA","9-METHYL URIC ACID","C6 H6 N4 O3","O=C1C2=C(NC(=O)N1)N(C(=O)N2)C;CN1C(=O)NC2=C1NC(=O)NC2=O;CN1C2=C(C(=O)NC(=O)N2)NC1=O","InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)","","2003-10-10","2011-06-04","9-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",""],["2DB","(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE","C3 H10 B O6","O[B-](O)(O)OCC(O)CO;OC[CH](O)CO[B-](O)(O)O;[B-](O)(O)(O)OCC(CO)O","InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1","","2006-09-19","2024-09-27","trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)",""],["2DC","(3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol","C27 H46 O3","OC(CCC(C)C)C(O)(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C;CC(C)CC[CH](O)[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCC(C(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O","InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1","","2010-06-01","2011-06-04","(3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol",""],["MUB","N-acetyl-alpha-muramic acid","C11 H19 N O8","O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C","InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1","N-acetyl-muramic acid; N-ACETYLMURAMIC ACID","2004-03-16","2024-09-27","2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose",""],["MUC","[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid","C6 H6 O4","O=C(O)CC1OC(=O)C=C1;OC(=O)C[CH]1OC(=O)C=C1;C1=CC(=O)OC1CC(=O)O","InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1","muconolactone","2008-06-15","2021-03-01","[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid",""],["2DD","3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 4-SULFAMOYL-BENZYLAMIDE","C17 H15 Cl N4 O5 S","O=S(=O)(N)c1ccc(cc1)CNC(=O)c3cnnc3c2c(O)cc(O)c(Cl)c2;N[S](=O)(=O)c1ccc(CNC(=O)c2cn[nH]c2c3cc(Cl)c(O)cc3O)cc1;c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N","InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27)","N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE","2005-08-02","2021-03-13","5-(5-chloro-2,4-dihydroxyphenyl)-N-(4-sulfamoylbenzyl)-1H-pyrazole-4-carboxamide",""],["MUD","N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid","C10 H16 N2 O7 S","O=C(O)C(NC(=O)NC(C(=O)O)CCC(=O)O)CSC;CSC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C10H16N2O7S/c1-20-4-6(9(17)18)12-10(19)11-5(8(15)16)2-3-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H2,11,12,19)/t5-,6-/m0/s1","(S)-2-(3-((R)-1-carboxy-2-methylthio)ethyl)ureido)pentanedioic acid","2008-06-05","2020-06-17","N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid",""],["2DE","(2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate","C14 H26 O7 P2","O=P(O)(O)OP(=O)(OC/C=C/CCC=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=CCCC=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC=CCOP(=O)(O)OP(=O)(O)O)C)C","InChI=1S/C14H26O7P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-20-23(18,19)21-22(15,16)17/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,18,19)(H2,15,16,17)/b7-5+,14-10+","","2010-10-29","2011-06-04","(2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate",""],["MUE","naphthalene-2-sulfonamide","C10 H9 N O2 S","N[S](=O)(=O)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)S(=O)(=O)N","InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)","","2019-10-24","2020-10-09","naphthalene-2-sulfonamide","2020-10-14"],["2DF","N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANOSYL-5-PHOSPHATE) FORMAMIDE","C6 H12 N O7 P","O=CNC1OC(C(O)C1)COP(=O)(O)O;O[CH]1C[CH](NC=O)O[CH]1CO[P](O)(O)=O;C1C(C(OC1NC=O)COP(=O)(O)O)O","InChI=1S/C6H12NO7P/c8-3-7-6-1-4(9)5(14-6)2-13-15(10,11)12/h3-6,9H,1-2H2,(H,7,8)(H2,10,11,12)/t4-,5+,6+/m0/s1","","2003-03-24","2011-06-04","2-deoxy-N-formyl-5-O-phosphono-beta-D-erythro-pentofuranosylamine",""],["MUF","(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid","C27 H32 O4","O=C(O)C5=CC4=CCC2C(CCC3(C(C(=O)c1ccc(O)cc1)CCC23)C)C4(C)CC5;C[C]12CC[CH]3[CH](CC=C4C=C(CC[C]34C)C(O)=O)[CH]1CC[CH]2C(=O)c5ccc(O)cc5;CC12CCC3C(C1CCC2C(=O)c4ccc(cc4)O)CC=C5C3(CCC(=C5)C(=O)O)C","InChI=1S/C27H32O4/c1-26-13-11-17(25(30)31)15-18(26)5-8-20-21-9-10-23(27(21,2)14-12-22(20)26)24(29)16-3-6-19(28)7-4-16/h3-7,15,20-23,28H,8-14H2,1-2H3,(H,30,31)/t20-,21-,22-,23+,26-,27-/m0/s1","","2007-11-27","2011-06-04","(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid",""],["2DG","2-deoxy-alpha-D-galactopyranose","C6 H12 O5","OC1C(OC(O)CC1O)CO;OC[CH]1O[CH](O)C[CH](O)[CH]1O;C1C(C(C(OC1O)CO)O)O","InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1","2-deoxy-alpha-D-lyxo-hexopyranose; 2-deoxy-alpha-D-galactose; 2-deoxy-D-galactose; 2-deoxy-galactose","2001-10-02","2024-09-27","2-deoxy-alpha-D-lyxo-hexopyranose",""],["2DH","[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid","C19 H15 F3 N2 O6 S","FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(cc3)C(F)(F)F;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C19H15F3N2O6S/c1-30-13-4-7-15-11(8-13)9-16(24(15)10-17(25)26)18(27)23-31(28,29)14-5-2-12(3-6-14)19(20,21)22/h2-9H,10H2,1H3,(H,23,27)(H,25,26)","","2013-09-25","2014-08-22","[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid","2014-08-27"],["MUG","4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE","C16 H18 O8","O=C2Oc3cc(OC1OC(C(O)C(O)C1O)CO)ccc3C(=C2)C;CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1","","1999-07-08","2011-06-04","4-methyl-2-oxo-2H-chromen-7-yl alpha-D-glucopyranoside",""],["MUH","N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE","C24 H18 F3 N5 O","FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc3ncccc3c4ncncc4;Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc3ncccc3c4ccncn4;Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)","","2007-02-07","2011-06-04","N-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide",""],["2DI","9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE","C10 H12 N4 O3","O=C1c2ncn(c2N=CN1)C3OC(CC3)CO;OC[CH]1CC[CH](O1)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3CCC(O3)CO)N=CNC2=O","InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1","2',3'-DIDEOXYINOSINE; Didanosine","2003-11-11","2020-06-17","9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one",""],["MUI","(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE","C33 H39 N3 O8 S","O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CN4c3ccc(C(=O)C)cc3;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)O3)c4ccc(cc4)C(C)=O;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-16-14-27(43-4)15-17-28)20-30(38)29(18-24-8-6-5-7-9-24)34-32(39)31-21-36(33(40)44-31)26-12-10-25(11-13-26)23(3)37/h5-17,22,29-31,38H,18-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1","","2006-08-11","2011-06-04","(5S)-3-(4-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide",""],["2DJ","(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid","C22 H24 N2 O6 S","O=S(=O)(c1ccc(cc1)C(C)(C)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC","InChI=1S/C22H24N2O6S/c1-22(2,3)15-5-8-17(9-6-15)31(28,29)23-21(27)19-12-14-11-16(30-4)7-10-18(14)24(19)13-20(25)26/h5-12H,13H2,1-4H3,(H,23,27)(H,25,26)","","2013-09-25","2014-08-22","(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid","2014-08-27"],["2DK","{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid","C16 H19 N3 O7 S","O=S(=O)(N1CCOCC1)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)N3CCOCC3;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3","InChI=1S/C16H19N3O7S/c1-25-12-2-3-13-11(8-12)9-14(19(13)10-15(20)21)16(22)17-27(23,24)18-4-6-26-7-5-18/h2-3,8-9H,4-7,10H2,1H3,(H,17,22)(H,20,21)","","2013-09-25","2014-08-22","{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid","2014-08-27"],["MUJ","5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine","C20 H22 N4 O3","n1c(N)c(cnc1N)Cc3ccc(OCc2ccc(OC)cc2)c(OC)c3;COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1;COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N","InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)","","2012-05-03","2014-09-05","5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine",""],["MUK","4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine","C12 H13 N3","Cc1cc(C)nc(Nc2ccccc2)n1;Cc1cc(nc(n1)Nc2ccccc2)C","InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)","","2019-10-24","2020-08-14","4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine","2020-08-19"],["2DL","2-METHYL-4-DIETHYLAMIDE-PHENOL","C12 H17 N O3","O=C(c1cc(OC)c(O)cc1)N(CC)CC;CCN(CC)C(=O)c1ccc(O)c(OC)c1;CCN(CC)C(=O)c1ccc(c(c1)OC)O","InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3","","2010-05-04","2011-06-04","N,N-diethyl-4-hydroxy-3-methoxybenzamide",""],["MUL","TIAMULIN","C28 H47 N O4 S","O=C2CCC13C(C(O)C(C=C)(C)CC(OC(=O)CSCCN(CC)CC)C(C(CC1)C)(C)C23)C;CCN(CC)CCSCC(=O)O[CH]1C[C](C)(C=C)[CH](O)[CH](C)[C]23CC[CH](C)[C]1(C)[CH]2C(=O)CC3;CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C","InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1","(4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL\n{[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE","2004-09-07","2020-06-17","(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate",""],["2DM","2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE","C20 H19 O6 P","O=P(O)(O)OCC(O)COCc4ccc2ccc1cccc3c1c2c4cc3;O[CH](COCc1ccc2ccc3cccc4ccc1c2c34)CO[P](O)(O)=O;c1cc2ccc3ccc(c4c3c2c(c1)cc4)COCC(COP(=O)(O)O)O","InChI=1S/C20H19O6P/c21-17(12-26-27(22,23)24)11-25-10-16-7-6-15-5-4-13-2-1-3-14-8-9-18(16)20(15)19(13)14/h1-9,17,21H,10-12H2,(H2,22,23,24)/t17-/m0/s1","","2004-02-09","2011-06-04","(2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate",""],["MUM","5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine","C10 H17 N2 O8 P","C1(C(NC(N(C1)C2OC(C(O)C2O)COP(O)O)=O)=O)C;C[CH]1CN([CH]2O[CH](COP(O)O)[CH](O)[CH]2O)C(=O)NC1=O;CC1CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)O)O)O","InChI=1S/C10H17N2O8P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(17)18/h4-7,9,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5-,6-,7-,9-/m1/s1","","2018-06-04","2024-09-27","5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine","2018-10-24"],["2DN","[2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1H-indol-1-yl]acetic acid","C16 H15 N5 O7 S2","O=S(=O)(c1nnc(s1)NC(=O)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3sc(NC(C)=O)nn3;CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC","InChI=1S/C16H15N5O7S2/c1-8(22)17-15-18-19-16(29-15)30(26,27)20-14(25)12-6-9-5-10(28-2)3-4-11(9)21(12)7-13(23)24/h3-6H,7H2,1-2H3,(H,20,25)(H,23,24)(H,17,18,22)","","2013-09-25","2014-08-22","[2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1H-indol-1-yl]acetic acid","2014-08-27"],["MUN","[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate","C14 H26 O4","CCCCCCCCC=CC(=O)OC[CH](O)CO;CCCCCCCCC=CC(=O)OCC(CO)O","InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h9-10,13,15-16H,2-8,11-12H2,1H3/b10-9+/t13-/m0/s1","MONOUNDECENOIN","2017-11-14","2020-06-17","[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate","2017-12-13"],["2DO","(2S)-2-AMINOHEXANE-1,1-DIOL","C6 H15 N O2","OC(O)C(N)CCCC;CCCC[CH](N)C(O)O;CCCCC(C(O)O)N","InChI=1S/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1","","2005-09-26","2024-09-27","(2S)-2-aminohexane-1,1-diol",""],["MUO","2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid","C22 H24 O4 S","CSc1ccc(cc1)C(=O)C=Cc2cc(C)c(OC(C)(C)C(O)=O)c(C)c2;Cc1cc(cc(c1OC(C)(C)C(=O)O)C)C=CC(=O)c2ccc(cc2)SC","InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+","elafibranor","2023-01-05","2023-08-04","2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid","2023-08-09"],["2DP","3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL","C47 H98 O11 P2","O=P(O)(OC)OCC(O)COP(=O)(O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COP(=O)(O)OC)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C47H98O11P2/c1-38(2)18-12-20-40(5)22-14-24-42(7)26-16-28-44(9)30-32-54-36-47(37-58-60(51,52)57-35-46(48)34-56-59(49,50)53-11)55-33-31-45(10)29-17-27-43(8)25-15-23-41(6)21-13-19-39(3)4/h38-48H,12-37H2,1-11H3,(H,49,50)(H,51,52)/t40?,41-,42?,43+,44-,45-,46-,47+/m0/s1","","1999-07-08","2011-06-04","(2S,5R,8R,13S,17S,21R)-2,5-dihydroxy-13,17,21,25-tetramethyl-5-oxido-8-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-4,6,10-trioxa-5-phosphahexacos-1-yl methyl hydrogen (S)-phosphate (non-preferred name)",""],["2DQ","(5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid","C19 H18 N2 O7 S","O=S(=O)(c1ccc(OC)cc1)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3cc(OC)ccc3n2CC(O)=O;COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC","InChI=1S/C19H18N2O7S/c1-27-13-3-6-15(7-4-13)29(25,26)20-19(24)17-10-12-9-14(28-2)5-8-16(12)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)","","2013-09-25","2014-08-22","(5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid","2014-08-27"],["MUP","METHOXYUNDECYLPHOSPHINIC ACID","C12 H27 O3 P","O=P(O)(OC)CCCCCCCCCCC;CCCCCCCCCCC[P](O)(=O)OC;CCCCCCCCCCCP(=O)(O)OC","InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)","","1999-07-08","2024-09-27","methyl hydrogen (S)-undecylphosphonate",""],["MUQ","4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide","C29 H34 N6 O6 S","CNC(=O)N1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(OC)cc4O;CNC(=O)N1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC","InChI=1S/C29H34N6O6S/c1-32-29(38)35-13-11-34(12-14-35)28(37)25(16-19-5-3-7-21(15-19)27(30)31)33-42(39,40)23-8-4-6-20(17-23)24-10-9-22(41-2)18-26(24)36/h3-10,15,17-18,25,33,36H,11-14,16H2,1-2H3,(H3,30,31)(H,32,38)/t25-/m0/s1","","2019-10-24","2020-11-13","4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide","2020-11-18"],["2DR","2-deoxy-beta-D-erythro-pentofuranose","C5 H10 O4","OCC1OC(O)CC1O;OC[CH]1O[CH](O)C[CH]1O;C1C(C(OC1O)CO)O","InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1","2-deoxy-beta-D-ribofuranose; 2-deoxy-beta-D-erythro-pentose; 2-deoxy-D-erythro-pentose; 2-deoxy-erythro-pentose","2009-07-20","2024-09-27","2-deoxy-beta-D-erythro-pentofuranose",""],["MUR","beta-muramic acid","C9 H17 N O7","O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C;C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N","InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1","muramic acid","1999-07-08","2020-07-17","2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose",""],["2DS","N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine","C20 H20 N2 O11","O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)CO;OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)OCC(C(=O)O)NC(=O)c2cccc(c2O)O","InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12+/m1/s1","","2009-07-23","2011-06-04","N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine",""],["MUS","4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID","C21 H25 N O11","O=C3Oc2c(ccc(OC1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C(=O)O)c2)C(=C3)C;CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(Oc2ccc3C(=CC(=O)Oc3c2)C)C(O)=O;CC1=CC(=O)Oc2c1ccc(c2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O","InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18+,19+,21+/m0/s1","METHYLUMBELLIFERYL SIALIC ACID","2004-01-19","2021-03-01","4-methyl-2-oxo-2H-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["2DT","3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE","C10 H15 N2 O7 P","O=C1NC(=O)N(C=C1C)C2OC(CC2)COP(=O)(O)O;CC1=CN([CH]2CC[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(O)O","InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1","2',3'-DIDEOXYTHYMIDINE-5'-MONOPHOSPHATE","1999-07-07","2021-03-13","[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate",""],["MUT","(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE","C33 H39 N3 O8 S","O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CN4c3cccc(C(=O)C)c3;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)O3)c4cccc(c4)C(C)=O;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-15-13-27(43-4)14-16-28)20-30(38)29(17-24-9-6-5-7-10-24)34-32(39)31-21-36(33(40)44-31)26-12-8-11-25(18-26)23(3)37/h5-16,18,22,29-31,38H,17,19-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1","","2006-08-11","2011-06-04","(5S)-3-(3-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide",""],["2DU","{2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid","C19 H18 N2 O6 S","O=S(=O)(NC(=O)c2cc1cc(OC)ccc1n2CC(=O)O)Cc3ccccc3;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)Cc3ccccc3;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3","InChI=1S/C19H18N2O6S/c1-27-15-7-8-16-14(9-15)10-17(21(16)11-18(22)23)19(24)20-28(25,26)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)(H,22,23)","","2013-09-25","2014-08-22","{2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid","2014-08-27"],["MUU","N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE","C26 H35 N3 O6 S","O=S(=O)(N(CC(O)C(NC(=O)CCC(=O)NC)Cc1ccccc1)CC2CC2)c3cccc(OC)c3;CNC(=O)CCC(=O)N[CH](Cc1ccccc1)[CH](O)CN(CC2CC2)[S](=O)(=O)c3cccc(OC)c3;CNC(=O)CCC(=O)NC(Cc1ccccc1)C(CN(CC2CC2)S(=O)(=O)c3cccc(c3)OC)O","InChI=1S/C26H35N3O6S/c1-27-25(31)13-14-26(32)28-23(15-19-7-4-3-5-8-19)24(30)18-29(17-20-11-12-20)36(33,34)22-10-6-9-21(16-22)35-2/h3-10,16,20,23-24,30H,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t23-,24+/m0/s1","","2007-05-08","2011-06-04","N-[(1S,2R)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-N'-methylbutanediamide",""],["2DV","[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid","C20 H17 F3 N2 O6 S","FC(F)(F)c1ccc(cc1)CS(=O)(=O)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)Cc3ccc(cc3)C(F)(F)F;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F","InChI=1S/C20H17F3N2O6S/c1-31-15-6-7-16-13(8-15)9-17(25(16)10-18(26)27)19(28)24-32(29,30)11-12-2-4-14(5-3-12)20(21,22)23/h2-9H,10-11H2,1H3,(H,24,28)(H,26,27)","","2013-09-25","2014-08-22","[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid","2014-08-27"],["2DW","{5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid","C22 H18 N2 O6 S","O=S(=O)(c2cc1ccccc1cc2)NC(=O)c4cc3cc(OC)ccc3n4CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc4ccccc4c3;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C22H18N2O6S/c1-30-17-7-9-19-16(10-17)12-20(24(19)13-21(25)26)22(27)23-31(28,29)18-8-6-14-4-2-3-5-15(14)11-18/h2-12H,13H2,1H3,(H,23,27)(H,25,26)","","2013-09-25","2014-08-22","{5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid","2014-08-27"],["MUV","N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE","C23 H31 N3 O6 S","O=S(=O)(N(CC1CC1)CC(O)C(NC(=O)CCC(=O)NC)Cc2ccccc2)c3occc3;CNC(=O)CCC(=O)N[CH](Cc1ccccc1)[CH](O)CN(CC2CC2)[S](=O)(=O)c3occc3;CNC(=O)CCC(=O)NC(Cc1ccccc1)C(CN(CC2CC2)S(=O)(=O)c3ccco3)O","InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1","","2007-05-08","2011-06-04","N-{(1S,2R)-1-benzyl-3-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-2-hydroxypropyl}-N'-methylbutanediamide",""],["MUW","N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE","C34 H46 N4 O6 S","O=C(OC)NC(C(=O)NCCCCC(N(S(=O)(=O)c1ccc(cc1)CN)CC(C)C)CO)C(c2ccccc2)c3ccccc3;COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)NCCCC[CH](CO)N(CC(C)C)[S](=O)(=O)c3ccc(CN)cc3;CC(C)CN(C(CCCCNC(=O)C(C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN","InChI=1S/C34H46N4O6S/c1-25(2)23-38(45(42,43)30-19-17-26(22-35)18-20-30)29(24-39)16-10-11-21-36-33(40)32(37-34(41)44-3)31(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-9,12-15,17-20,25,29,31-32,39H,10-11,16,21-24,35H2,1-3H3,(H,36,40)(H,37,41)/t29-,32-/m0/s1","","2007-06-04","2011-06-04","N-{(5S)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-6-hydroxyhexyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide",""],["2DX","(3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide","C30 H45 N5 O4","O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC3c4c(OCC3)cccc4)C5CCCCC5)C(NC)CC;CC[CH](NC)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3CCCN3C[CH]2C(=O)N[CH]4CCOc5ccccc45;CCC(C(=O)NC(C1CCCCC1)C(=O)N2CC3CCCN3CC2C(=O)NC4CCOc5c4cccc5)NC","InChI=1S/C30H45N5O4/c1-3-23(31-2)28(36)33-27(20-10-5-4-6-11-20)30(38)35-18-21-12-9-16-34(21)19-25(35)29(37)32-24-15-17-39-26-14-8-7-13-22(24)26/h7-8,13-14,20-21,23-25,27,31H,3-6,9-12,15-19H2,1-2H3,(H,32,37)(H,33,36)/t21-,23+,24-,25+,27+/m1/s1","","2013-09-25","2013-12-06","(3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide","2013-12-11"],["2DY","(3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide","C34 H45 N5 O4","O=C(NC(C(=O)N3CC2N(c1ccccc1C2)CC3C(=O)NC4c5c(OCC4)cccc5)C6CCCCC6)C(NC)CC;CC[CH](NC)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3Cc4ccccc4N3C[CH]2C(=O)N[CH]5CCOc6ccccc56;CCC(C(=O)NC(C1CCCCC1)C(=O)N2CC3Cc4ccccc4N3CC2C(=O)NC5CCOc6c5cccc6)NC","InChI=1S/C34H45N5O4/c1-3-26(35-2)32(40)37-31(22-11-5-4-6-12-22)34(42)39-20-24-19-23-13-7-9-15-28(23)38(24)21-29(39)33(41)36-27-17-18-43-30-16-10-8-14-25(27)30/h7-10,13-16,22,24,26-27,29,31,35H,3-6,11-12,17-21H2,1-2H3,(H,36,41)(H,37,40)/t24-,26-,27+,29-,31-/m0/s1","","2013-09-25","2013-12-06","(3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide","2013-12-11"],["MUX","(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate","C10 H8 O6 S","O=S(=O)(O)Oc2ccc1c(OC(=O)C=C1C)c2;CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O","InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)","","2014-02-21","2014-09-05","4-methyl-2-oxo-2H-chromen-7-yl hydrogen sulfate","2014-03-26"],["MUY","(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid","C19 H22 N3 O6 P","Oc1ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)c3ccc(cc3)O;C[P](O)(=O)[CH](N1C[CH](NC(=O)[CH](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3;CP(=O)(C(c1ccc(cc1)O)N2CC(C2=O)NC(=O)C(c3ccc(cc3)O)N)O","InChI=1S/C19H22N3O6P/c1-29(27,28)19(12-4-8-14(24)9-5-12)22-10-15(18(22)26)21-17(25)16(20)11-2-6-13(23)7-3-11/h2-9,15-16,19,23-24H,10,20H2,1H3,(H,21,25)(H,27,28)/t15-,16+,19-/m0/s1","","2019-04-16","2024-09-27","(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid","2019-09-11"],["2DZ","[5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid","C19 H14 F3 N3 O8 S","FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O;COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(cc3[N+]([O-])=O)C(F)(F)F;COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F","InChI=1S/C19H14F3N3O8S/c1-33-12-3-4-13-10(6-12)7-15(24(13)9-17(26)27)18(28)23-34(31,32)16-5-2-11(19(20,21)22)8-14(16)25(29)30/h2-8H,9H2,1H3,(H,23,28)(H,26,27)","","2013-09-25","2014-08-22","[5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid","2014-08-27"],["2E1","5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE","C16 H20 Cl N5 O3","Clc1cc(c(O)cc1O)c2c(c(nn2)C(=O)NCC)N3CCNCC3;CCNC(=O)c1n[nH]c(c2cc(Cl)c(O)cc2O)c1N3CCNCC3;CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3","InChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21)","","2006-01-18","2011-06-04","5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-3-carboxamide",""],["MUZ","[(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid","C35 H44 N5 O6 P S","NC(=N)c1ccc(cc1)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)[P](O)Oc5ccccc5;c1ccc(cc1)CS(=O)(=O)NC(CC2CCCCC2)C(=O)N3CCCC3C(=O)NC(c4ccc(cc4)C(=N)N)P(O)Oc5ccccc5","InChI=1S/C35H44N5O6PS/c36-32(37)27-18-20-28(21-19-27)34(47(43)46-29-15-8-3-9-16-29)38-33(41)31-17-10-22-40(31)35(42)30(23-25-11-4-1-5-12-25)39-48(44,45)24-26-13-6-2-7-14-26/h2-3,6-9,13-16,18-21,25,30-31,34,39,43H,1,4-5,10-12,17,22-24H2,(H3,36,37)(H,38,41)/t30-,31+,34-,47-/m1/s1","","2019-10-24","2024-09-27","[(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid","2020-11-18"],["MV0","7-acetyl-4-methoxy-1-benzofuran-3(2H)-one","C11 H10 O4","CC(=O)c1ccc(OC)c2c1OCC2=O;COc1ccc(C(C)=O)c2OCC(=O)c12;CC(=O)c1ccc(c2c1OCC2=O)OC","InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3","","2022-03-17","2024-09-27","7-acetyl-4-methoxy-1-benzofuran-3(2H)-one","2023-01-25"],["2E2","1-{3,5-O-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","C18 H19 N2 O10 P","O=C(O)c1ccc(cc1)C3(OCC4OC(N2C=C(C(=O)NC2=O)C)CC4O3)P(=O)(O)O;CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccc(cc4)C(O)=O)[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O","InChI=1S/C18H19N2O10P/c1-9-7-20(17(24)19-15(9)21)14-6-12-13(29-14)8-28-18(30-12,31(25,26)27)11-4-2-10(3-5-11)16(22)23/h2-5,7,12-14H,6,8H2,1H3,(H,22,23)(H,19,21,24)(H2,25,26,27)/t12-,13-,14-,18-/m1/s1","","2013-09-26","2014-09-05","1-{3,5-O-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","2014-09-10"],["2E3","(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid","C24 H28 O3","O=C(O)C=Cc3cc(c1c(cc2c(c1)C(CCC2(C)C)(C)C)C)c(O)cc3;Cc1cc2c(cc1c3cc(C=CC(O)=O)ccc3O)C(C)(C)CCC2(C)C;Cc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+","","2009-01-19","2011-06-04","(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid",""],["MV1","(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide","C18 H36 N2 O4","O=C(NCCC(=O)NCCCCCCCCC)C(O)C(C)(C)CO;CCCCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO;CCCCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O","InChI=1S/C18H36N2O4/c1-4-5-6-7-8-9-10-12-19-15(22)11-13-20-17(24)16(23)18(2,3)14-21/h16,21,23H,4-14H2,1-3H3,(H,19,22)(H,20,24)/t16-/m1/s1","","2011-03-15","2011-08-12","(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide",""],["MV2","(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide","C9 H19 N O4","O=C(NCCCO)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCCO;CC(C)(CO)C(C(=O)NCCCO)O","InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1","L-Pantothenol","2011-03-15","2020-06-17","(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide",""],["2E4","pyridin-3-ylmethyl trihydrogen diphosphate","C6 H9 N O7 P2","O=P(O)(O)OP(=O)(OCc1cccnc1)O;O[P](O)(=O)O[P](O)(=O)OCc1cccnc1;c1cc(cnc1)COP(=O)(O)OP(=O)(O)O","InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-2-1-3-7-4-6/h1-4H,5H2,(H,11,12)(H2,8,9,10)","","2013-09-26","2014-06-13","pyridin-3-ylmethyl trihydrogen diphosphate","2014-06-18"],["MV3","2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","C21 H29 Cl2 N3 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C21H30ClN3O2/c1-16(26)23-15-17-9-13-25(14-10-17)20(27)21(11-3-2-4-12-21)24-19-7-5-18(22)6-8-19/h5-8,17,24H,2-4,9-15H2,1H3,(H,23,26)","","2022-08-04","2024-09-27","2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["2E5","pyridin-4-ylmethyl trihydrogen diphosphate","C6 H9 N O7 P2","O=P(O)(O)OP(=O)(OCc1ccncc1)O;O[P](O)(=O)O[P](O)(=O)OCc1ccncc1;c1cnccc1COP(=O)(O)OP(=O)(O)O","InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-1-3-7-4-2-6/h1-4H,5H2,(H,11,12)(H2,8,9,10)","","2013-09-26","2014-06-06","pyridin-4-ylmethyl trihydrogen diphosphate","2014-06-11"],["MV4","7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine","C21 H20 N6","c13nc(ncc1cc(c(N2CCC(N)C2)n3)c5c4ccccc4ccc5)N;N[CH]1CCN(C1)c2nc3nc(N)ncc3cc2c4cccc5ccccc45;c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CCC(C5)N)N","InChI=1S/C21H20N6/c22-15-8-9-27(12-15)20-18(10-14-11-24-21(23)26-19(14)25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,10-11,15H,8-9,12,22H2,(H2,23,24,25,26)/t15-/m1/s1","","2019-04-17","2020-02-07","7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine","2020-02-12"],["2E6","pyridin-2-ylmethyl trihydrogen diphosphate","C6 H9 N O7 P2","O=P(O)(O)OP(=O)(OCc1ncccc1)O;O[P](O)(=O)O[P](O)(=O)OCc1ccccn1;c1ccnc(c1)COP(=O)(O)OP(=O)(O)O","InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-3-1-2-4-7-6/h1-4H,5H2,(H,11,12)(H2,8,9,10)","","2013-09-26","2014-06-06","pyridin-2-ylmethyl trihydrogen diphosphate","2014-06-11"],["MV5","(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide","C6 H13 N3 O2 S2","N[CH](CSSC[CH](N)C(N)=O)C=O;C(C(C=O)N)SSCC(C(=O)N)N","InChI=1S/C6H13N3O2S2/c7-4(1-10)2-12-13-3-5(8)6(9)11/h1,4-5H,2-3,7-8H2,(H2,9,11)/t4-,5+/m1/s1","","2019-10-24","2024-09-27","(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide","2020-09-09"],["2E7","(6-chloropyridin-3-yl)methyl trihydrogen diphosphate","C6 H8 Cl N O7 P2","Clc1ncc(cc1)COP(=O)(O)OP(=O)(O)O;O[P](O)(=O)O[P](O)(=O)OCc1ccc(Cl)nc1;c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl","InChI=1S/C6H8ClNO7P2/c7-6-2-1-5(3-8-6)4-14-17(12,13)15-16(9,10)11/h1-3H,4H2,(H,12,13)(H2,9,10,11)","","2013-09-27","2014-06-13","(6-chloropyridin-3-yl)methyl trihydrogen diphosphate","2014-06-18"],["MV6","(2S)-2-amino-4-(methylsulfanyl)butanethioic O-acid","C5 H11 N O S2","OC(=S)C(N)CCSC;CSCC[CH](N)C(O)=S;CSCCC(C(=S)O)N","InChI=1S/C5H11NOS2/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","2023-01-24","2025-12-15","(2S)-2-amino-4-(methylsulfanyl)butanethioic O-acid","2023-08-02"],["2E8","3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C24 H28 N6 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC5CCN(C)CC5)N;CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35;CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N","InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)","","2013-09-27","2013-10-04","3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2013-10-09"],["2E9","1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea","C18 H22 Cl N3 O2 S","O=C(NCCCNCc1cc(Cl)cc(c1O)C/C=C)Nc2ccsc2;Oc1c(CNCCCNC(=O)Nc2cscc2)cc(Cl)cc1CC=C;C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl","InChI=1S/C18H22ClN3O2S/c1-2-4-13-9-15(19)10-14(17(13)23)11-20-6-3-7-21-18(24)22-16-5-8-25-12-16/h2,5,8-10,12,20,23H,1,3-4,6-7,11H2,(H2,21,22,24)","","2013-09-27","2014-04-25","1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea","2014-04-30"],["MV7","N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","C45 H55 F2 N5 O10 S","O=C(NCc1ccccc1)C(NC(=O)C(OCCOC)CC(O)C(NC(=O)c3cc(C(=O)NC(c2ccccc2)C)cc(N(C)S(=O)(=O)C)c3)COc4cc(F)cc(F)c4)C(C)C;COCCO[CH](C[CH](O)[CH](COc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)N[CH](C(C)C)C(=O)NCc4ccccc4;CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O)OCCOC","InChI=1S/C45H55F2N5O10S/c1-28(2)41(45(57)48-26-30-13-9-7-10-14-30)51-44(56)40(61-18-17-60-5)25-39(53)38(27-62-37-23-34(46)22-35(47)24-37)50-43(55)33-19-32(20-36(21-33)52(4)63(6,58)59)42(54)49-29(3)31-15-11-8-12-16-31/h7-16,19-24,28-29,38-41,53H,17-18,25-27H2,1-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1","N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide","2009-07-01","2021-03-13","N-[(2S,3S,5R)-6-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-oxohexan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name)",""],["MV8","(4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid","C17 H23 N5 O4","N=C(N)c1ccc(cc1)N1CC(CN2CCN(CC(=O)O)CC2)OC1=O;NC(=N)c1ccc(cc1)N2C[CH](CN3CCN(CC3)CC(O)=O)OC2=O;c1cc(ccc1C(=N)N)N2CC(OC2=O)CN3CCN(CC3)CC(=O)O","InChI=1S/C17H23N5O4/c18-16(19)12-1-3-13(4-2-12)22-10-14(26-17(22)25)9-20-5-7-21(8-6-20)11-15(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m1/s1","","2022-03-18","2022-08-12","(4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid","2022-08-17"],["2EA","(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE","C25 H22 N4 O","n2ccc1cc(ccc1c2)c5cc(OCC(N)CC3c4ccccc4N=C3)cnc5;N[CH](COc1cncc(c1)c2ccc3cnccc3c2)C[CH]4C=Nc5ccccc45;c1ccc2c(c1)C(C=N2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N","InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,21-22H,10,16,26H2/t21?,22-/m0/s1","","2005-12-22","2011-06-04","(2S)-1-[(3R)-3H-indol-3-yl]-3-[(5-isoquinolin-6-ylpyridin-3-yl)oxy]propan-2-amine",""],["MV9","(2~{R})-3-methyl-2-(methylamino)butanoic acid","C6 H13 N O2","CN[CH](C(C)C)C(O)=O;CC(C)C(C(=O)O)NC","InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1","N-Methyl-D-valine","2015-12-01","2024-09-27","(2~{R})-3-methyl-2-(methylamino)butanoic acid","2016-03-16"],["2EB","1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea","C15 H17 Cl I N3 O2 S","O=C(NCCCNCc1cc(Cl)cc(I)c1O)Nc2ccsc2;Oc1c(I)cc(Cl)cc1CNCCCNC(=O)Nc2cscc2;c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl","InChI=1S/C15H17ClIN3O2S/c16-11-6-10(14(21)13(17)7-11)8-18-3-1-4-19-15(22)20-12-2-5-23-9-12/h2,5-7,9,18,21H,1,3-4,8H2,(H2,19,20,22)","","2013-09-27","2014-04-25","1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea","2014-04-30"],["MVA","N-METHYLVALINE","C6 H13 N O2","O=C(O)C(NC)C(C)C;CN[CH](C(C)C)C(O)=O;CC(C)C(C(=O)O)NC","InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1","","1999-07-08","2024-09-27","N-methyl-L-valine",""],["2EC","9-ETHYL-9H-PURIN-6-YLAMINE","C7 H9 N5","n1c(c2ncn(c2nc1)CC)N;CCn1cnc2c(N)ncnc12;CCn1cnc2c1ncnc2N","InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)","","2011-03-25","2011-06-10","9-ethyl-9H-purin-6-amine",""],["2ED","N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide","C20 H39 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C;CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(C)=O;CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)O","InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1","C2-ceramide","2009-01-26","2021-03-01","N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide",""],["MVB","(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL","C18 H26 O4","O=C3OC(CCC2C1C(=CCCC1O)C=CC2C)CC(O)C3;C[CH]1C=CC2=CCC[CH](O)[CH]2[CH]1CC[CH]3C[CH](O)CC(=O)O3;CC1C=CC2=CCCC(C2C1CCC3CC(CC(=O)O3)O)O","InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14-,15-,16-,18-/m0/s1","","2005-01-27","2011-06-04","(4R,6S)-4-hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one",""],["MVC","MONOVACCENIN","C21 H40 O4","O=C(OCC(O)CO)CCCCCCCCCC=C/CCCCCC;CCCCCCC=CCCCCCCCCCC(=O)OC[CH](O)CO;CCCCCCC=CCCCCCCCCCC(=O)OCC(CO)O","InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m1/s1","11.7 MAG","2011-06-08","2021-03-01","(2R)-2,3-dihydroxypropyl (11Z)-octadec-11-enoate",""],["2EE","1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea","C25 H28 Cl N3 O2 S","O=C(NCCCNCc2cc(Cl)cc(c2OCc1ccccc1)C/C=C)Nc3ccsc3;Clc1cc(CNCCCNC(=O)Nc2cscc2)c(OCc3ccccc3)c(CC=C)c1;C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl","InChI=1S/C25H28ClN3O2S/c1-2-7-20-14-22(26)15-21(24(20)31-17-19-8-4-3-5-9-19)16-27-11-6-12-28-25(30)29-23-10-13-32-18-23/h2-5,8-10,13-15,18,27H,1,6-7,11-12,16-17H2,(H2,28,29,30)","","2013-09-27","2014-04-25","1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea","2014-04-30"],["MVD","2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3","C28 H46 O3","OC3C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C)=C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](C)[CH](O)C3=C;CC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)O","InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1","9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E)","2006-06-20","2020-06-17","(1S,2S,3R,5Z,7E,14beta,17alpha)-2-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["2EF","1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea","C17 H21 Cl I N3 O2 S","O=C(NCCCNCc1cc(Cl)cc(I)c1OCC)Nc2ccsc2;CCOc1c(I)cc(Cl)cc1CNCCCNC(=O)Nc2cscc2;CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2","InChI=1S/C17H21ClIN3O2S/c1-2-24-16-12(8-13(18)9-15(16)19)10-20-5-3-6-21-17(23)22-14-4-7-25-11-14/h4,7-9,11,20H,2-3,5-6,10H2,1H3,(H2,21,22,23)","","2013-09-27","2014-04-25","1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea","2014-04-30"],["2EG","2'-DEOXY-N-ETHYLGUANOSINE 5'-PHOSPHATE","C12 H18 N5 O7 P","O=C1c2ncn(c2N=C(NCC)N1)C3OC(C(O)C3)COP(=O)(O)O;CCNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1","InChI=1S/C12H18N5O7P/c1-2-13-12-15-10-9(11(19)16-12)14-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,2-4H2,1H3,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1","","2006-07-19","2011-06-04","2'-deoxy-N-ethylguanosine 5'-(dihydrogen phosphate)",""],["MVE","cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone","C30 H40 N6 O2","CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3;CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6","InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3","","2019-10-24","2019-11-22","cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone","2019-11-27"],["MVF","(2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide","C22 H32 N6 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)N)C2CCCCC2)CC3;NC(=O)CN[CH](C1CCCCC1)C(=O)N2CC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;c1cc(ccc1CNC(=O)C2CCN2C(=O)C(C3CCCCC3)NCC(=O)N)C(=N)N","InChI=1S/C22H32N6O3/c23-18(29)13-26-19(15-4-2-1-3-5-15)22(31)28-11-10-17(28)21(30)27-12-14-6-8-16(9-7-14)20(24)25/h6-9,15,17,19,26H,1-5,10-13H2,(H2,23,29)(H3,24,25)(H,27,30)/t17-,19+/m0/s1","","2012-09-14","2014-09-05","(2S)-1-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-cyclohexylacetyl}-N-(4-carbamimidoylbenzyl)azetidine-2-carboxamide","2013-01-11"],["2EH","(2S)-2-ethylhexan-1-ol","C8 H18 O","CCCC[CH](CC)CO;CCCCC(CC)CO","InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1","","2009-11-05","2011-06-04","(2S)-2-ethylhexan-1-ol",""],["MVG","4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid","C21 H19 N5 O2","O=C(O)c1ccc(cc1)c2nc(cnc2)n4ncc3ccc(cc34)NC(C)C;CC(C)Nc1ccc2cnn(c3cncc(n3)c4ccc(cc4)C(O)=O)c2c1;CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O","InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)","","2013-09-26","2018-03-16","4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid","2018-03-21"],["2EI","2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one","C32 H33 N5 O3","CCC(=O)N1C[CH](C[CH]1C)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4;CCC(=O)N1CC(CC1C)n2cc(c(n2)c3cccc(c3)OCc4ccc5c(c4)CN(C5=O)C)c6ccncc6","InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1","","2023-07-11","2024-09-27","2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one","2024-06-05"],["MVH","methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate","C6 H12 N O5 P","O=P(OC)(OC(=C/C(=O)NC)C)O;CNC(=O)C=C(C)O[P](O)(=O)OC;CC(=CC(=O)NC)OP(=O)(O)OC","InChI=1S/C6H12NO5P/c1-5(4-6(8)7-2)12-13(9,10)11-3/h4H,1-3H3,(H,7,8)(H,9,10)/b5-4+","","2012-08-27","2014-07-03","methyl (2E)-4-(methylamino)-4-oxobut-2-en-2-yl hydrogen (S)-phosphate","2014-07-08"],["2EJ","1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea","C17 H19 N3 O S","O=C(NCCCNCc1cccc(C#C)c1)Nc2ccsc2;O=C(NCCCNCc1cccc(c1)C#C)Nc2cscc2;C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2","InChI=1S/C17H19N3OS/c1-2-14-5-3-6-15(11-14)12-18-8-4-9-19-17(21)20-16-7-10-22-13-16/h1,3,5-7,10-11,13,18H,4,8-9,12H2,(H2,19,20,21)","","2013-09-27","2014-04-25","1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea","2014-04-30"],["MVI","Mycinamicin VI","C35 H57 N O11","O=C3C=CC=CC(COC1OC(C(O)C(O)C1O)C)C(OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC3C)CC;CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O[CH](C)[CH](O)[CH](O)[CH]3O;CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(C(O3)C)O)O)O","InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1","[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-allopyranoside","2011-08-16","2021-03-13","[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-allopyranoside",""],["2EK","1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea","C13 H15 Cl2 N3 O S2","Clc1sc(Cl)cc1CNCCCNC(=O)Nc2ccsc2;Clc1sc(Cl)c(CNCCCNC(=O)Nc2cscc2)c1;c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl","InChI=1S/C13H15Cl2N3OS2/c14-11-6-9(12(15)21-11)7-16-3-1-4-17-13(19)18-10-2-5-20-8-10/h2,5-6,8,16H,1,3-4,7H2,(H2,17,18,19)","","2013-09-27","2014-04-25","1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea","2014-04-30"],["MVJ","5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one","C18 H23 N O2","O=C1Nc2ccc(cc2C13CCOCC3)C4CCCCC4;c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2","InChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)","","2015-03-09","2015-05-08","5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one","2015-05-13"],["2EL","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-\nol","C16 H25 N5 O3 S","OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O;Nc1ncnc2c(CN3C[CH](O)[CH](CSCCOCCO)C3)c[nH]c12;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCCOCCO","InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1","DIETGLYCOL-THIO-DADME-IMMUCILLIN-A","2012-05-09","2020-06-17","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol","2013-05-01"],["MVK","4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid","C23 H26 N2 O2","Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccc(cc4)C(O)=O;Cc1cc(c2c(c1CN3CCCCC3c4ccc(cc4)C(=O)O)cc[nH]2)C","InChI=1S/C23H26N2O2/c1-15-13-16(2)22-19(10-11-24-22)20(15)14-25-12-4-3-5-21(25)17-6-8-18(9-7-17)23(26)27/h6-11,13,21,24H,3-5,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1","","2019-10-25","2020-02-28","4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid","2020-03-04"],["2EM","1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea","C18 H21 N3 O S2","O=C(Nc1ccsc1)NCCCNCc2c3ccccc3sc2C;Cc1sc2ccccc2c1CNCCCNC(=O)Nc3cscc3;Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3","InChI=1S/C18H21N3OS2/c1-13-16(15-5-2-3-6-17(15)24-13)11-19-8-4-9-20-18(22)21-14-7-10-23-12-14/h2-3,5-7,10,12,19H,4,8-9,11H2,1H3,(H2,20,21,22)","","2013-09-27","2014-04-25","1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea","2014-04-30"],["MVL","(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL","C8 H12 N2 O4","n1ccn2c1C(O)C(O)C(O)C2CO;OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12;c1cn2c(n1)C(C(C(C2CO)O)O)O","InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1","Mannoimidazole","2008-01-25","2020-06-17","(5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol",""],["2EN","1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea","C21 H26 Cl N3 O2 S","O=C(NCCCNCc1cc(Cl)cc(c1OC/C=C)C/C=C)Nc2ccsc2;Clc1cc(CNCCCNC(=O)Nc2cscc2)c(OCC=C)c(CC=C)c1;C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl","InChI=1S/C21H26ClN3O2S/c1-3-6-16-12-18(22)13-17(20(16)27-10-4-2)14-23-8-5-9-24-21(26)25-19-7-11-28-15-19/h3-4,7,11-13,15,23H,1-2,5-6,8-10,14H2,(H2,24,25,26)","","2013-09-27","2014-04-25","1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea","2014-04-30"],["MVM","N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide","C22 H20 Cl N7 O","C1CC(CNC1)N(c2c(Cl)cccn2)C(c3ccc(cc3)n5c4ncccc4nn5)=O;Clc1cccnc1N([CH]2CCCNC2)C(=O)c3ccc(cc3)n4nnc5cccnc45;c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)C5CCCNC5","InChI=1S/C22H20ClN7O/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21/h2-3,5-10,12-13,17,24H,1,4,11,14H2/t17-/m1/s1","","2019-04-17","2019-06-14","N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide","2019-06-19"],["2EO","2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide","C23 H21 N3 O3","O=C2c1ccccc1C(=NN2C)CC(=O)Nc5ccc3c(oc4c3CCCC4)c5;CN1N=C(CC(=O)Nc2ccc3c4CCCCc4oc3c2)c5ccccc5C1=O;CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5","InChI=1S/C23H21N3O3/c1-26-23(28)18-8-3-2-6-15(18)19(25-26)13-22(27)24-14-10-11-17-16-7-4-5-9-20(16)29-21(17)12-14/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)","","2013-09-30","2014-06-06","2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide","2014-06-11"],["MVN","6-chloro-4-methyl-1H-quinolin-2-one","C10 H8 Cl N O","Clc2ccc1c(C(=CC(=O)N1)C)c2;CC1=CC(=O)Nc2ccc(Cl)cc12;CC1=CC(=O)Nc2c1cc(cc2)Cl","InChI=1S/C10H8ClNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)","","2014-02-26","2015-02-06","6-chloro-4-methylquinolin-2(1H)-one","2015-02-11"],["A1MA6","palytoxin","C129 H223 N3 O54","C[CH](CCCCC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[CH](C[CH](O)[CH](O)C(C)=C[CH](O)C[CH](C)[CH](O)C(=O)NC=CC(=O)NCCCO)[CH](O)[CH](O)[CH]1O)C[CH]2O[C]3(CCCCCCC[CH](O)C[CH]4O[C](O)(C[CH](O)[CH](C)C=C[CH](O)CC[CH](O)[CH](O)[CH]5C[CH](O)[CH](O)[CH](C[CH](O)[CH](O)C[CH]6O[CH](C[CH](O)C=CC=CC[CH](O)[CH](O)[CH](O)CC=CC(=C)CC[CH](O)[CH](O)[CH](O)[CH](C)C[CH]7O[CH](C=C[CH](O)[CH](O)C[CH]8C[CH]9C[CH](O8)[CH](CC[CH]%10O[CH](CN)C[CH]%10O)O9)[CH](O)[CH](O)[CH]7O)[CH](O)[CH](O)[CH]6O)O5)[CH](O)[CH](O)[CH]4O)C[CH](C)C[C]2(C)O3;CC1CC2(C(OC(C1)(O2)CCCCCCCC(CC3C(C(C(C(O3)(CC(C(C)C=CC(CCC(C(C4CC(C(C(O4)CC(C(CC5C(C(C(C(O5)CC(C=CC=CCC(C(C(CC=CC(=C)CCC(C(C(C(C)CC6C(C(C(C(O6)C=CC(C(CC7CC8CC(O7)C(O8)CCC9C(CC(O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CC(C)CCCCCC(C(C(C(C(C1C(C(C(C(O1)CC(C(C(=CC(CC(C)C(C(=O)NC=CC(=O)NCCCO)O)O)C)O)O)O)O)O)O)O)O)O)O)C","InChI=1S/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-150,152-174,176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,151)(H,132,175)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+/t63-,64-,65-,67+,68+,69+,70+,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92-,93+,94-,95+,96-,97+,98+,99+,100+,102+,103+,104-,105-,106+,107-,108+,109-,110+,111-,112-,113+,114-,115-,116-,117-,118+,119+,120+,121-,122-,123+,124-,125+,127+,128-,129-/m0/s1","","2025-07-16","2025-09-26","(~{E},2~{S},3~{R},5~{R},8~{R},9~{S})-10-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[(1~{S},2~{R},3~{S},4~{S},5~{R},11~{S})-12-[(1~{R},3~{S},5~{S},7~{R})-5-[(8~{S})-9-[(2~{R},3~{R},4~{R},5~{R},6~{S})-6-[(~{E},2~{S},3~{S},6~{S},9~{R},10~{R})-10-[(2~{S},4~{R},5~{S},6~{R})-6-[(2~{R},3~{R})-4-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-[(2~{S},3~{Z},5~{E},8~{R},9~{S},10~{R},12~{Z},17~{S},18~{R},19~{R},20~{R})-21-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[(~{Z},3~{R},4~{R})-5-[(1~{S},3~{R},5~{R},7~{R})-7-[2-[(2~{R},3~{R},5~{S})-5-(aminomethyl)-3-oxidanyl-oxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-bis(oxidanyl)pent-1-enyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-20-methyl-14-methylidene-2,8,9,10,17,18,19-heptakis(oxidanyl)henicosa-3,5,12-trienyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-2,3-bis(oxidanyl)butyl]-4,5-bis(oxidanyl)oxan-2-yl]-3-methyl-2,6,9,10-tetrakis(oxidanyl)dec-4-enyl]-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]-8-oxidanyl-nonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-11-methyl-1,2,3,4,5-pentakis(oxidanyl)dodecyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dimethyl-2,5,8,9-tetrakis(oxidanyl)-~{N}-[(~{E})-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-enyl]dec-6-enamide","2025-10-01"],["MVO","2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","C20 H27 Cl2 N3 O3","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C20H27Cl2N3O3/c21-13-18(26)23-14-15-5-9-25(10-6-15)19(27)20(7-11-28-12-8-20)24-17-3-1-16(22)2-4-17/h1-4,15,24H,5-14H2,(H,23,26)","","2022-08-04","2024-09-27","2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["A1MA8","CBL0137","C21 H24 N2 O2","CC(C)NCCn1c2ccc(cc2c3cc(ccc13)C(C)=O)C(C)=O;CC(C)NCCn1c2ccc(cc2c3c1ccc(c3)C(=O)C)C(=O)C","InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3","1-[6-ethanoyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone","2025-07-25","2025-08-01","1-[6-ethanoyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone","2025-08-06"],["A1MA9","8-CF3-2'F-riboguanosine monophosphate","C11 H12 F4 N5 O7 P","NC1=Nc2n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F)c(nc2C(=O)N1)C(F)(F)F;C(C1C(C(C(O1)n2c3c(nc2C(F)(F)F)C(=O)NC(=N3)N)F)O)OP(=O)(O)O","InChI=1S/C11H12F4N5O7P/c12-3-5(21)2(1-26-28(23,24)25)27-8(3)20-6-4(7(22)19-10(16)18-6)17-9(20)11(13,14)15/h2-3,5,8,21H,1H2,(H2,23,24,25)(H3,16,18,19,22)/t2-,3-,5-,8-/m1/s1","[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-8-(trifluoromethyl)-1~{H}-purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-07-25","2026-02-13","[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-8-(trifluoromethyl)-1~{H}-purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-08-06"],["MVP","(1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol","C13 H25 O13 P","P(O)(O)(CC2C(C(C(OC1C(C(O)C(C(O1)CO)O)O)C(O2)CO)O)O)=O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](C[P](O)(O)=O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)CP(=O)(O)O)CO)O)O)O)O","InChI=1S/C13H25O13P/c14-1-4-7(16)9(18)11(20)13(25-4)26-12-5(2-15)24-6(3-27(21,22)23)8(17)10(12)19/h4-20H,1-3H2,(H2,21,22,23)/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1","alpha-maltose-c-phosphonate","2014-07-24","2020-07-17","(1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol","2015-07-22"],["A1MAF","(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid","C10 H8 B F O4","OB1Oc2c(ccc(F)c2C(O)=O)[CH]3C[CH]13;B1(C2CC2c3ccc(c(c3O1)C(=O)O)F)O","InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m0/s1","(1R,2S)-Xeruborbactam disodium","2025-06-17","2025-10-03","(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid","2025-10-08"],["MVQ","(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide","C23 H27 N5 O3 S","CN1C(=O)c2nc(sc2N=C1C3CCOCC3)N4CCC[CH]4C(=O)NCc5ccccc5;CN1C(=O)c2c(sc(n2)N3CCCC3C(=O)NCc4ccccc4)N=C1C5CCOCC5","InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1","","2019-10-25","2020-02-28","(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide","2020-03-04"],["MVR","N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide","C23 H21 N5 O","Cn1ccc(CN(C(=O)Cc2cccnc2)c2ccc(cc2)c2ccccn2)n1;Cn1ccc(CN(C(=O)Cc2cccnc2)c3ccc(cc3)c4ccccn4)n1;Cn1ccc(n1)CN(c2ccc(cc2)c3ccccn3)C(=O)Cc4cccnc4","InChI=1S/C23H21N5O/c1-27-14-11-20(26-27)17-28(23(29)15-18-5-4-12-24-16-18)21-9-7-19(8-10-21)22-6-2-3-13-25-22/h2-14,16H,15,17H2,1H3","","2023-08-16","2023-11-03","N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide","2023-11-08"],["A1MAI","Rosamicin","C31 H51 N O9","CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O)C=C[C]3(C)O[CH]3[CH]1C;CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC=O)C)C)C","InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1","2-[(1~{S},2~{R},3~{R},7~{R},8~{S},9~{S},10~{R},12~{R},16~{S})-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal","2025-06-23","2026-04-17","2-[(1~{S},2~{R},3~{R},7~{R},8~{S},9~{S},10~{R},12~{R},16~{S})-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal","2026-04-22"],["MVS","4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile","C19 H17 N3 O3","COc1cc(cc(OC)c1OC)Nc1ccnc2cc(ccc12)C#N;COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N","InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22)","","2022-03-21","2023-01-13","4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile","2023-01-18"],["A1MAJ","20-deoxo-20-dihydrorosamicin","C31 H53 N O8","CC[CH]1C[CH](C)C(=O)C=C[C]2(C)O[CH]2[CH](C)[CH](CC)OC(=O)C[CH](O)[CH](C)[CH]1O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C;CCC1CC(C(=O)C=CC2(C(O2)C(C(OC(=O)CC(C(C1OC3C(C(CC(O3)C)N(C)C)O)C)O)CC)C)C)C","InChI=1S/C31H53NO8/c1-10-21-14-17(3)23(33)12-13-31(7)29(40-31)20(6)25(11-2)38-26(35)16-24(34)19(5)28(21)39-30-27(36)22(32(8)9)15-18(4)37-30/h12-13,17-22,24-25,27-30,34,36H,10-11,14-16H2,1-9H3/b13-12+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1","(1~{S},2~{R},3~{R},7~{R},8~{S},9~{S},10~{S},12~{R},14~{E},16~{S})-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,10-diethyl-2,8,12,16-tetramethyl-7-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione","2025-06-23","2026-04-17","(1~{S},2~{R},3~{R},7~{R},8~{S},9~{S},10~{S},12~{R},14~{E},16~{S})-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,10-diethyl-2,8,12,16-tetramethyl-7-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione","2026-04-22"],["MVT","3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide","C19 H18 F3 N3 O2 S2","CC(C)[CH](Cc1sc(N[S](=O)(=O)c2cc(F)cc(F)c2)nn1)c3cccc(F)c3;CC(C)C(Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F","InChI=1S/C19H18F3N3O2S2/c1-11(2)17(12-4-3-5-13(20)6-12)10-18-23-24-19(28-18)25-29(26,27)16-8-14(21)7-15(22)9-16/h3-9,11,17H,10H2,1-2H3,(H,24,25)/t17-/m1/s1","","2019-10-25","2020-02-28","3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide","2020-03-04"],["MVU","2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide","C21 H30 Cl N3 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccccc3;c1ccc(cc1)NC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl","InChI=1S/C21H31N3O2/c1-17(25)22-16-18-10-14-24(15-11-18)20(26)21(12-6-3-7-13-21)23-19-8-4-2-5-9-19/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3,(H,22,25)","","2022-08-04","2024-09-27","2-chloranyl-~{N}-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["MVV","(2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate","C45 H84 O10","C1(C(CO)OC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC=[C@H]CCCCCCCC)C(C1O)O)O;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C45H84O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39,42-46,49-51H,3-17,19,21-37H2,1-2H3/b20-18-/t38-,39+,42+,43-,44+,45-/m0/s1","","2019-04-19","2020-04-17","(2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate","2020-04-22"],["A1MAY","4-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}phenoxy]butyric acid","C21 H26 B10 F6 O4","OC(=O)CCCOc1ccc(cc1)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]58%12[BH]%13%14%19[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F;[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787C911([BH]232[BH]715C4%1062c1ccc(cc1)OCCCC(=O)O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C21H26B10F6O4/c32-18(33,34)17(40,19(35,36)37)12-3-5-13(6-4-12)20-22-21(14-7-9-15(10-8-14)41-11-1-2-16(38)39)23(20,22)25(20)27(21,23)29(21)26(21,22)24(20,22)28(20,25)30(24,26,29)31(25,27,28)29/h3-10,22-31,40H,1-2,11H2,(H,38,39)","","2025-07-07","2025-11-28","","2025-12-03"],["MVW","5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole","C22 H26 N2","Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccccc4;Cc1cc(c2c(c1CN3CCCCC3c4ccccc4)cc[nH]2)C","InChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1","","2019-10-25","2020-02-28","5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole","2020-03-04"],["A1MAZ","5-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}phenoxy]pentanoic acid","C22 H28 B10 F6 O4","OC(=O)CCCCOc1ccc(cc1)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]58%12[BH]%13%14%19[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F;[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787C911([BH]232[BH]715C4%1062c1ccc(cc1)OCCCCC(=O)O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H28B10F6O4/c33-19(34,35)18(41,20(36,37)38)13-4-6-14(7-5-13)21-23-22(15-8-10-16(11-9-15)42-12-2-1-3-17(39)40)24(21,23)26(21)28(22,24)30(22)27(22,23)25(21,23)29(21,26)31(25,27,30)32(26,28,29)30/h4-11,23-32,41H,1-3,12H2,(H,39,40)","","2025-07-07","2025-11-28","","2025-12-03"],["MVX","(3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide","C14 H13 Cl N4 O2","Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1C1CC1;Clc1ccc2OC[CH](C(=O)Nc3nncn3C4CC4)c2c1;c1cc2c(cc1Cl)C(CO2)C(=O)Nc3nncn3C4CC4","InChI=1S/C14H13ClN4O2/c15-8-1-4-12-10(5-8)11(6-21-12)13(20)17-14-18-16-7-19(14)9-2-3-9/h1,4-5,7,9,11H,2-3,6H2,(H,17,18,20)/t11-/m1/s1","","2023-08-16","2023-11-03","(3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide","2023-11-08"],["A1MBA","Phytoene","C40 H64","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C","InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+","(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene","2025-07-29","2025-10-17","(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene","2025-10-22"],["MVY","methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate","C14 H16 Cl F N2 O3","c1c(ccc(c1F)Cl)NC(C2CCCN(C(=O)OC)C2)=O;COC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2;COC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl","InChI=1S/C14H16ClFN2O3/c1-21-14(20)18-6-2-3-9(8-18)13(19)17-10-4-5-11(15)12(16)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,19)/t9-/m0/s1","","2019-04-22","2019-10-18","methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate","2019-10-23"],["A1MBB","Methyl cinnamate","C10 H10 O2","COC(=O)C=Cc1ccccc1;COC(=O)C=Cc1ccccc1","InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+","methyl (~{E})-3-phenylprop-2-enoate","2025-07-31","2026-02-27","methyl (~{E})-3-phenylprop-2-enoate","2026-03-04"],["MVZ","5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine","C12 H10 Br Cl N4","Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13;Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br","InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18)","","2019-10-25","2020-02-28","5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine","2020-03-04"],["A1MBC","3-(1-adamantyl)-6,7,8,9-tetrahydro-5~{H}-[1,2,4]triazolo[4,3-a]azepine","C17 H25 N3","C1CCn2c(CC1)nnc2C34CC5CC(CC(C5)C3)C4;C1CCc2nnc(n2CC1)C34CC5CC(C3)CC(C5)C4","InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2/t12-,13+,14-,17-","MERCK-544; Compound 544","2025-08-06","2025-10-03","3-(1-adamantyl)-6,7,8,9-tetrahydro-5~{H}-[1,2,4]triazolo[4,3-a]azepine","2025-10-08"],["A1MBD","(3~{R})-2-oxidanyl-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","C12 H14 B N O5","CCC(=O)N[CH]1Cc2cccc(C(O)=O)c2OB1O;B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)CC)O","InChI=1S/C12H14BNO5/c1-2-10(15)14-9-6-7-4-3-5-8(12(16)17)11(7)19-13(9)18/h3-5,9,18H,2,6H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1","","2025-08-08","2025-11-14","(3~{R})-2-oxidanyl-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","2025-11-19"],["MW0","(5-methylfuran-2-yl)methanol","C6 H8 O2","Cc1ccc(CO)o1;Cc1oc(CO)cc1;Cc1ccc(o1)CO","InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3","","2022-03-21","2024-09-27","(5-methylfuran-2-yl)methanol","2022-03-30"],["MW1","MANGANESE ION, 1 WATER COORDINATED","H2 Mn O","O|[Mn++];[OH2][Mn+2]","InChI=1/Mn.H2O/h;1H2/q+2;/rH2MnO/c1-2/h2H2/q+2","","2000-03-20","2008-10-14","",""],["A1MBI","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-ethynyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]thiolane-3,4-diol","C13 H14 N7 O2 S","Nc1ncnc2n(cc(C#C)c12)[CH]3S[CH](CN=[N]=N)[CH](O)[CH]3O;C#Cc1cn(c2c1c(ncn2)N)C3C(C(C(S3)CN=[N]=N)O)O","InChI=1S/C13H14N7O2S/c1-2-6-4-20(12-8(6)11(14)16-5-17-12)13-10(22)9(21)7(23-13)3-18-19-15/h1,4-5,7,9-10,13,15,21-22H,3H2,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1","","2025-08-26","2026-03-27","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-ethynyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]thiolane-3,4-diol","2026-04-01"],["MW2","MANGANESE DIHYDRATE ION","H4 Mn O2","O|[Mn++]|O;[OH2][Mn+2][OH2]","InChI=1/Mn.2H2O/h;2*1H2/q+2;;/rH4MnO2/c2-1-3/h2-3H2/q+2","","1999-07-08","2008-10-14","",""],["A1MBL","(2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[ethanoyl-[4-(1,2-thiazol-5-yl)phenyl]amino]-2-pyrazin-2-yl-ethanamide","C23 H23 F2 N5 O2 S","CC(=O)N([CH](C(=O)NC1CCC(F)(F)CC1)c2cnccn2)c3ccc(cc3)c4sncc4;CC(=O)N(c1ccc(cc1)c2ccns2)C(c3cnccn3)C(=O)NC4CCC(CC4)(F)F","InChI=1S/C23H23F2N5O2S/c1-15(31)30(18-4-2-16(3-5-18)20-8-11-28-33-20)21(19-14-26-12-13-27-19)22(32)29-17-6-9-23(24,25)10-7-17/h2-5,8,11-14,17,21H,6-7,9-10H2,1H3,(H,29,32)/t21-/m1/s1","","2025-08-27","2025-09-12","(2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[ethanoyl-[4-(1,2-thiazol-5-yl)phenyl]amino]-2-pyrazin-2-yl-ethanamide","2025-09-17"],["MW3","MANGANESE ION, 3 WATERS COORDINATED","H6 Mn O3","O|[Mn++](|O)|O;[OH2][Mn+2]([OH2])[OH2]","InChI=1/Mn.3H2O/h;3*1H2/q+2;;;/rH6MnO3/c2-1(3)4/h2-4H2/q+2","","2000-06-06","2008-10-14","",""],["A1MC7","(3~{S})-1-(2-pyridin-2-ylethyl)-~{N}-(1,3-thiazol-2-yl)piperidine-3-carboxamide","C16 H20 N4 O S","O=C(Nc1sccn1)[CH]2CCCN(CCc3ccccn3)C2;c1ccnc(c1)CCN2CCCC(C2)C(=O)Nc3nccs3","InChI=1S/C16H20N4OS/c21-15(19-16-18-8-11-22-16)13-4-3-9-20(12-13)10-6-14-5-1-2-7-17-14/h1-2,5,7-8,11,13H,3-4,6,9-10,12H2,(H,18,19,21)/t13-/m0/s1","","2025-12-18","2026-03-06","(3~{S})-1-(2-pyridin-2-ylethyl)-~{N}-(1,3-thiazol-2-yl)piperidine-3-carboxamide","2026-03-11"],["A1MC9","2-[2-[(3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide","C17 H21 N5 O2 S","NC(=O)c1ccnc(CCN2CCC[CH](C2)C(=O)Nc3sccn3)c1;c1cnc(cc1C(=O)N)CCN2CCCC(C2)C(=O)Nc3nccs3","InChI=1S/C17H21N5O2S/c18-15(23)12-3-5-19-14(10-12)4-8-22-7-1-2-13(11-22)16(24)21-17-20-6-9-25-17/h3,5-6,9-10,13H,1-2,4,7-8,11H2,(H2,18,23)(H,20,21,24)/t13-/m0/s1","","2025-12-23","2026-03-06","2-[2-[(3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide","2026-03-11"],["MW4","ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate","C15 H18 Cl F N2 O3","c1c(ccc(c1F)Cl)NC(C2CCCN(C(OCC)=O)C2)=O;CCOC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2;CCOC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl","InChI=1S/C15H18ClFN2O3/c1-2-22-15(21)19-7-3-4-10(9-19)14(20)18-11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,20)/t10-/m0/s1","","2019-04-22","2019-10-18","ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate","2019-10-23"],["MW5","6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one","C12 H9 Cl N4 O","ClC=2N=C1NC=NN1C(=O)C=2Cc3ccccc3;ClC1=C(Cc2ccccc2)C(=O)N3N=CNC3=N1;c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl","InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7H,6H2,(H,14,15,16)","","2011-03-11","2011-08-19","6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one",""],["A1MCI","TEBIPENEM, BOUND FORM","C16 H23 N3 O4 S2","C[CH](O)[CH](C=O)[CH]1N=C([CH](SC2CN(C2)C3=NCCS3)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CN(C2)C3=NCCS3","InChI=1S/C16H23N3O4S2/c1-8-12(11(7-20)9(2)21)18-13(15(22)23)14(8)25-10-5-19(6-10)16-17-3-4-24-16/h7-12,14,21H,3-6H2,1-2H3,(H,22,23)/t8-,9-,11-,12-,14-/m1/s1","(2~{S},3~{R},4~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[1-(1,3-thiazolidin-2-yl)azetidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2025-10-31","2025-11-07","(2~{S},3~{R},4~{R})-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2025-11-12"],["MW6","(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione","C12 H14 N2 O2 S","Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1;c1cc(cc(c1)SCC2CCC(=O)NC2=O)N","InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1","","2022-08-04","2023-09-23","(3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione","2023-01-11"],["A1MCM","(4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","C19 H26 Cl N3 O3","CN(C)C(=O)C1=C(C)NC(=O)N[CH]1c2ccc(OCC(C)(C)C)c(Cl)c2;CC1=C(C(NC(=O)N1)c2ccc(c(c2)Cl)OCC(C)(C)C)C(=O)N(C)C","InChI=1S/C19H26ClN3O3/c1-11-15(17(24)23(5)6)16(22-18(25)21-11)12-7-8-14(13(20)9-12)26-10-19(2,3)4/h7-9,16H,10H2,1-6H3,(H2,21,22,25)/t16-/m0/s1","","2025-11-17","2026-04-24","(4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide","2026-04-29"],["MW7","4-ethenylbenzoic acid","C9 H8 O2","C=[C@H]c1ccc(cc1)C(O)=O;OC(=O)c1ccc(C=C)cc1;C=Cc1ccc(cc1)C(=O)O","InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)","","2019-04-22","2021-05-14","4-ethenylbenzoic acid","2021-05-19"],["A1MCX","(2~{S})-2-[(3~{a}~{R},7~{a}~{R})-1'-ethyl-5'-methyl-spiro[1,3,3~{a},4,5,6,7,7~{a}-octahydroindene-2,3'-indene]-4'-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C26 H36 O3","CCC1=CC2(C[CH]3CCCC[CH]3C2)c4c1ccc(C)c4[CH](OC(C)(C)C)C(O)=O;CCC1=CC2(CC3CCCCC3C2)c4c1ccc(c4C(C(=O)O)OC(C)(C)C)C","InChI=1S/C26H36O3/c1-6-17-13-26(14-18-9-7-8-10-19(18)15-26)22-20(17)12-11-16(2)21(22)23(24(27)28)29-25(3,4)5/h11-13,18-19,23H,6-10,14-15H2,1-5H3,(H,27,28)/t18-,19-,23+/m1/s1","","2025-12-04","2025-12-26","(2~{S})-2-[(3~{a}~{R},7~{a}~{R})-1'-ethyl-5'-methyl-spiro[1,3,3~{a},4,5,6,7,7~{a}-octahydroindene-2,3'-indene]-4'-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2025-12-31"],["MW8","5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide","C27 H25 Br N4 O2","Brc1ccc(cc1)c2oc(cc2)C(=O)N(Cc3ccccn3)c4ccc(cc4)N5CCNCC5;c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br","InChI=1S/C27H25BrN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-14,29H,15-19H2","","2019-10-25","2021-05-07","5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide","2021-05-12"],["A1MDA","(3~{S})-~{N}-(2-oxidanylidene-3~{H}-1,3-benzothiazol-7-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide","C20 H22 N4 O2 S","O=C1Nc2cccc(NC(=O)[CH]3CCCN(CCc4ccccn4)C3)c2S1;c1ccnc(c1)CCN2CCCC(C2)C(=O)Nc3cccc4c3SC(=O)N4","InChI=1S/C20H22N4O2S/c25-19(22-16-7-3-8-17-18(16)27-20(26)23-17)14-5-4-11-24(13-14)12-9-15-6-1-2-10-21-15/h1-3,6-8,10,14H,4-5,9,11-13H2,(H,22,25)(H,23,26)/t14-/m0/s1","","2025-12-23","2026-03-06","(3~{S})-~{N}-(2-oxidanylidene-3~{H}-1,3-benzothiazol-7-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide","2026-03-11"],["MW9","(21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate","C42 H81 O10 P","O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC/C=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1","1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)","2021-10-08","2022-09-30","(21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate","2022-10-05"],["A1MDB","3-[[[(1~{R},3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)cyclohexyl]amino]methyl]benzamide","C18 H22 N4 O2 S","NC(=O)c1cccc(CN[CH]2CCC[CH](C2)C(=O)Nc3sccn3)c1;c1cc(cc(c1)C(=O)N)CNC2CCCC(C2)C(=O)Nc3nccs3","InChI=1S/C18H22N4O2S/c19-16(23)13-4-1-3-12(9-13)11-21-15-6-2-5-14(10-15)17(24)22-18-20-7-8-25-18/h1,3-4,7-9,14-15,21H,2,5-6,10-11H2,(H2,19,23)(H,20,22,24)/t14-,15+/m0/s1","","2025-12-23","2026-03-06","3-[[[(1~{R},3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)cyclohexyl]amino]methyl]benzamide","2026-03-11"],["MWA","(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide","C13 H16 Cl F N2 O3 S","c2(NC(C1CN(CCC1)S(C)(=O)=O)=O)ccc(c(c2)F)Cl;C[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2;CS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl","InChI=1S/C13H16ClFN2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1","","2019-04-23","2019-10-18","(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide","2019-10-23"],["A1MDL","7-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-5-methoxy-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrido[4,3-d]pyrimidine-2,4-dione","C23 H21 F4 N7 O3","COc1nc(cc2N(Cc3cc(F)c(F)c(F)c3)C(=O)N(Cc4ncn(C)n4)C(=O)c12)N5CC[CH](F)C5;Cn1cnc(n1)CN2C(=O)c3c(cc(nc3OC)N4CCC(C4)F)N(C2=O)Cc5cc(c(c(c5)F)F)F","InChI=1S/C23H21F4N7O3/c1-31-11-28-17(30-31)10-34-22(35)19-16(7-18(29-21(19)37-2)32-4-3-13(24)9-32)33(23(34)36)8-12-5-14(25)20(27)15(26)6-12/h5-7,11,13H,3-4,8-10H2,1-2H3/t13-/m1/s1","","2026-01-21","2026-03-20","7-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-5-methoxy-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrido[4,3-d]pyrimidine-2,4-dione","2026-03-25"],["MWB","N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine","C18 H21 N7","N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4;C1CN=C(N1)Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2;c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4","InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)","CD27","2014-02-04","2021-03-01","N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine","2014-06-11"],["A1MDP","2-benzamido-4-phenyl-5-propan-2-yl-thiophene-3-carboxylic acid","C21 H19 N O3 S","CC(C)c1sc(NC(=O)c2ccccc2)c(C(O)=O)c1c3ccccc3;CC(C)c1c(c(c(s1)NC(=O)c2ccccc2)C(=O)O)c3ccccc3","InChI=1S/C21H19NO3S/c1-13(2)18-16(14-9-5-3-6-10-14)17(21(24)25)20(26-18)22-19(23)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23)(H,24,25)","","2026-01-26","2026-03-06","2-benzamido-4-phenyl-5-propan-2-yl-thiophene-3-carboxylic acid","2026-03-11"],["MWC","dihydroxy[(5-methylfuran-2-yl)methoxy]amine","C6 H9 N O4","ON(O)OCc1ccc(C)o1;Cc1oc(CON(O)O)cc1;Cc1ccc(o1)CON(O)O","InChI=1S/C6H9NO4/c1-5-2-3-6(11-5)4-10-7(8)9/h2-3,8-9H,4H2,1H3","","2022-03-21","2024-09-27","dihydroxy[(5-methylfuran-2-yl)methoxy]amine","2022-03-30"],["A1MDU","2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide","C21 H20 N4 O6 S","COc1cccc(OC)c1[S](=O)(=O)Nc2noc3cc(Cn4cccn4)c5CCOc5c23;COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCC4)Cn5cccn5)on2)OC","InChI=1S/C21H20N4O6S/c1-28-15-5-3-6-16(29-2)20(15)32(26,27)24-21-18-17(31-23-21)11-13(12-25-9-4-8-22-25)14-7-10-30-19(14)18/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,23,24)","","2026-01-27","2026-03-06","2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide","2026-03-11"],["A1MGB","3-CN-3-deazaguanosine","C12 H16 N5 O8 P","NC1=C(C#N)C2=C(NCN2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1;C1NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)C(=C(NC2=O)N)C#N","InChI=1S/C12H16N5O8P/c13-1-4-7-6(11(20)16-10(4)14)15-3-17(7)12-9(19)8(18)5(25-12)2-24-26(21,22)23/h5,8-9,12,15,18-19H,2-3H2,(H3,14,16,20)(H2,21,22,23)/t5-,8-,9-,12-/m1/s1","[(2R,3S,4R,5R)-5-(6-azanyl-7-cyano-4-oxidanylidene-3,5-dihydro-2H-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2026-04-17","2026-04-24","[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-7-cyano-4-oxidanylidene-3,5-dihydro-2~{H}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2026-04-29"],["MWD","(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide","C16 H21 Cl F N3 O2","O=C(C1CCCN(C(NCCC)=O)C1)Nc2ccc(c(c2)F)Cl;CCCNC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2;CCCNC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl","InChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1","","2019-04-23","2019-10-18","(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide","2019-10-23"],["MWF","(2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide","C18 H19 F2 N5 O4","C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)F)c1)C(N)=O;CC(C(=O)N)Nc1ccc-2c(c1)OCCn3c2nc(c3)N4C(COC4=O)C(F)F","InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12+/m1/s1","Inavolisib","2022-08-08","2023-12-08","(2~{R})-2-[[2-[(4~{S})-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide","2023-12-13"],["2EP","2-ETHYLPIPERIDINE","C7 H15 N","N1C(CC)CCCC1;CC[CH]1CCCCN1;CCC1CCCCN1","InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1","","1999-07-08","2011-08-06","(2S)-2-ethylpiperidine",""],["MWG","(3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate","C10 H18 F2 O7 P2","C=C/C(C)(CCC=C(/CF)CF)OP(=O)(O)OP(O)(O)=O;C[C](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)=O)C=C;CC(CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H18F2O7P2/c1-3-10(2,6-4-5-9(7-11)8-12)18-21(16,17)19-20(13,14)15/h3,5H,1,4,6-8H2,2H3,(H,16,17)(H2,13,14,15)/t10-/m0/s1","","2019-04-23","2019-08-30","(3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate","2019-09-04"],["2EQ","5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide","C23 H24 Cl N3 O5","Clc1cc(c(O)cc1O)c2onc(C(=O)NCC)c2c3ccc(cc3)CN4CCOCC4;CCNC(=O)c1noc(c2cc(Cl)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3;CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4","InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)","","2007-09-24","2011-06-04","5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide",""],["MWH","4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide","C42 H39 Cl N6 O7 S","[O-][N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)c6ccc(cc6)N7CCC[CH]7c8ccccc8Cl;c1ccc(c(c1)C2CCCN2c3ccc(cc3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)Cl","InChI=1S/C42H39ClN6O7S/c43-36-5-2-1-4-34(36)38-6-3-19-48(38)31-10-7-28(8-11-31)29-9-13-35(40(23-29)56-32-22-30-15-18-44-41(30)46-26-32)42(50)47-57(53,54)33-12-14-37(39(24-33)49(51)52)45-25-27-16-20-55-21-17-27/h1-2,4-5,7-15,18,22-24,26-27,38,45H,3,6,16-17,19-21,25H2,(H,44,46)(H,47,50)/t38-/m0/s1","","2023-01-05","2024-05-10","4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide","2024-05-15"],["2ER","[(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","C15 H25 N5 O15 P2","NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=NCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=NCC(=O)C(C(COP(=O)(O)O)O)O)C(=O)N","InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1","","2011-02-03","2011-06-04","[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[[(Z)-[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",""],["MWI","Lotrafiban","C23 H32 N4 O4","O=C(c1ccc2NC(CC(=O)O)C(=O)N(C)Cc2c1)N1CCC(CC1)C1CCNCC1;CN1Cc2cc(ccc2N[CH](CC(O)=O)C1=O)C(=O)N3CCC(CC3)C4CCNCC4;CN1Cc2cc(ccc2NC(C1=O)CC(=O)O)C(=O)N3CCC(CC3)C4CCNCC4","InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1","[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid","2022-03-21","2022-08-12","[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid","2022-08-17"],["2ET","N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine","C17 H21 N O5","O=C(O)C(NCc2c(O)ccc1c2OC(=O)C=C1C)CC(C)C;CC(C)C[CH](NCc1c(O)ccc2C(=CC(=O)Oc12)C)C(O)=O;CC1=CC(=O)Oc2c1ccc(c2CNC(CC(C)C)C(=O)O)O","InChI=1S/C17H21NO5/c1-9(2)6-13(17(21)22)18-8-12-14(19)5-4-11-10(3)7-15(20)23-16(11)12/h4-5,7,9,13,18-19H,6,8H2,1-3H3,(H,21,22)/t13-/m0/s1","","2013-10-01","2014-02-07","N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine","2014-02-12"],["MWJ","4-bromo-2-methylphenol","C7 H7 Br O","c1cc(cc(C)c1O)Br;Cc1cc(Br)ccc1O;Cc1cc(ccc1O)Br","InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3","","2019-04-23","2019-09-20","4-bromo-2-methylphenol","2019-09-25"],["2EU","1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol","C17 H16 F6 N2 O3 S2","O=S(=O)(N2CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)CC2)c3sccc3;OC(c1ccc(cc1)N2CCN(CC2)[S](=O)(=O)c3sccc3)(C(F)(F)F)C(F)(F)F;c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2","","2013-10-01","2014-03-07","1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol","2014-03-12"],["MWL","3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine","C23 H21 N7","n1cccnc1N5CCN(c4nnc(c2ccccc2)c(c3ccncc3)c4)CC5;C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5;c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5","InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2","","2012-05-03","2012-06-22","3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine",""],["2EV","(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide","C18 H23 Cl N4 O5 S","O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3;Clc1ccccc1[S](=O)(=O)N2C[CH]([CH](C2)C(=O)N3CCOCC3)C(=O)NCC=N;c1ccc(c(c1)S(=O)(=O)N2CC(C(C2)C(=O)N3CCOCC3)C(=O)NCC=N)Cl","InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1","","2013-10-01","2024-09-27","(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide","2014-08-20"],["MWM","4-fluoro-2-methylphenol","C7 H7 F O","Cc1c(O)ccc(c1)F;Cc1cc(F)ccc1O;Cc1cc(ccc1O)F","InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3","","2019-04-23","2019-09-06","4-fluoro-2-methylphenol","2019-09-11"],["2EW","(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide","C18 H24 N4 O5 S","O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3;N=CCNC(=O)[CH]1CN(C[CH]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccccc3;c1ccc(cc1)S(=O)(=O)N2CC(C(C2)C(=O)N3CCOCC3)C(=O)NCC=N","InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1","","2013-10-01","2024-09-27","(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide","2014-09-10"],["2EX","(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one","C20 H19 F N4 O3","Fc1ncccc1c5cc3c(OC4C(C32N=C(N)N(C2=O)C)COCC4)cc5;CN1C(=N[C]2([CH]3COCC[CH]3Oc4ccc(cc24)c5cccnc5F)C1=O)N;CN1C(=O)C2(c3cc(ccc3OC4C2COCC4)c5cccnc5F)N=C1N","InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1","","2013-10-02","2014-05-09","(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one","2014-05-14"],["MWN","methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate","C10 H8 Br N O4","O=C(OC)c1cc(Br)cc2c1NC(=O)C2O;COC(=O)c1cc(Br)cc2[CH](O)C(=O)Nc12;COC(=O)c1cc(cc2c1NC(=O)C2O)Br","InChI=1S/C10H8BrNO4/c1-16-10(15)6-3-4(11)2-5-7(6)12-9(14)8(5)13/h2-3,8,13H,1H3,(H,12,14)/t8-/m1/s1","","2023-08-16","2024-09-27","methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate","2023-11-08"],["MWO","(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid","C15 H26 N4 O3","O=C(O)CN1CCN(CC1)CC1CC(=NO1)C1CCNCC1;OC(=O)CN1CCN(CC1)C[CH]2CC(=NO2)C3CCNCC3;C1CNCCC1C2=NOC(C2)CN3CCN(CC3)CC(=O)O","InChI=1S/C15H26N4O3/c20-15(21)11-19-7-5-18(6-8-19)10-13-9-14(17-22-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)/t13-/m0/s1","","2022-03-21","2022-08-12","(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid","2022-08-17"],["2EY","4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one","C19 H15 Cl N4 O2","O=C4Nc1ccccc1C(OC(c3nnn(c2ccc(Cl)cc2)c3)C)=C4;C[CH](OC1=CC(=O)Nc2ccccc12)c3cn(nn3)c4ccc(Cl)cc4;CC(c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4","InChI=1S/C19H15ClN4O2/c1-12(17-11-24(23-22-17)14-8-6-13(20)7-9-14)26-18-10-19(25)21-16-5-3-2-4-15(16)18/h2-12H,1H3,(H,21,25)/t12-/m1/s1","","2013-10-03","2013-12-27","4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one","2014-01-01"],["2EZ","2-ETHYLIMIDAZOLE","C5 H8 N2","n1ccnc1CC;CCc1[nH]ccn1;CCc1[nH]ccn1","InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)","","1999-07-08","2011-06-04","2-ethyl-1H-imidazole",""],["MWP","1-benzothiophen-6-amine 1,1-dioxide","C8 H7 N O2 S","O=S2(=O)c1cc(ccc1C=C2)N;Nc1ccc2C=C[S](=O)(=O)c2c1;c1cc2c(cc1N)S(=O)(=O)C=C2","InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2","6-amino-benzothiophene-1,1-dione","2012-03-28","2020-06-17","1-benzothiophen-6-amine 1,1-dioxide","2013-01-25"],["2F0","2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide","C19 H21 Cl N4 O3","O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N;CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)C(N)=O;CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl","InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+","P32","2013-10-03","2021-03-01","2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide","2014-07-23"],["MWQ","3-(1~{H}-imidazol-5-yl)propanoic acid","C6 H8 N2 O2","OC(=O)CCc1[nH]cnc1;c1c([nH]cn1)CCC(=O)O","InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)","","2019-10-25","2021-02-26","3-(1~{H}-imidazol-5-yl)propanoic acid","2021-03-03"],["2F1","1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea","C19 H21 Br N2 O","Brc2ccc(NC(=O)NC(c1cccc(/C(=C)C)c1)(C)C)cc2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br","InChI=1S/C19H21BrN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)","","2013-10-03","2013-12-27","1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea","2014-01-01"],["MWR","1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one","C18 H14 Cl N O3","Clc1ccc(cc1Oc1ccccc1)CN1C=CC(O)=CC1=O;OC1=CC(=O)N(Cc2ccc(Cl)c(Oc3ccccc3)c2)C=C1;c1ccc(cc1)Oc2cc(ccc2Cl)CN3C=CC(=CC3=O)O","InChI=1S/C18H14ClNO3/c19-16-7-6-13(12-20-9-8-14(21)11-18(20)22)10-17(16)23-15-4-2-1-3-5-15/h1-11,21H,12H2","","2023-05-05","2023-06-09","1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one","2023-06-14"],["MWS","4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one","C21 H24 O6","[C@H](COc2c1c(OC(C=C1)=O)cc3c2cco3)=C(C)CCC(C(C)(C)O)O;CC(CC[CH](O)C(C)(C)O)=CCOc1c2ccoc2cc3OC(=O)C=Cc13;CC(=CCOc1c2ccoc2cc3c1C=CC(=O)O3)CCC(C(C)(C)O)O","InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-/t18-/m0/s1","","2019-04-23","2019-09-06","4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one","2019-09-11"],["2F2","dimethyl ether","C2 H6 O","methoxymethane;COC;COC","InChI=1S/C2H6O/c1-3-2/h1-2H3","","2013-10-04","2014-07-11","dimethyl ether","2014-07-16"],["MWT","1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one","C29 H36 N7 O2 S","C[n+]1nn(cc1CCCCN)c2ccc(c(OCCN3CCNC3=O)c2)c4scc(CCc5ccccc5)n4;C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN","InChI=1S/C29H35N7O2S/c1-34-25(9-5-6-14-30)20-36(33-34)24-12-13-26(27(19-24)38-18-17-35-16-15-31-29(35)37)28-32-23(21-39-28)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-13,19-21H,5-6,9-11,14-18,30H2,1H3/p+1","","2019-10-28","2020-11-13","1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one","2020-11-18"],["2F3","1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid","C25 H17 Cl F N3 O3","O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C;Cc1cc2c(cc1F)n(Cc3cc4ccccc4nc3Cl)c(C(O)=O)c2C5=CC=CNC5=O;Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl","InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33)","","2013-10-07","2024-09-27","1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid","2013-12-11"],["MWU","~{N}-pyridin-2-ylprop-2-enamide","C8 H8 N2 O","C=CC(=O)Nc1ccccn1;C=CC(=O)Nc1ccccn1","InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11)","","2023-01-05","2024-09-27","~{N}-pyridin-2-ylprop-2-enamide","2023-12-13"],["2F4","2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine","C24 H18 F2 N6 O","Fc4ccc5nc(Nc3ccc(Oc2ncccc2c1ccnc(NC)c1)cc3)nc5c4F;CNc1cc(ccn1)c2cccnc2Oc3ccc(Nc4[nH]c5c(F)c(F)ccc5n4)cc3;CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F","InChI=1S/C24H18F2N6O/c1-27-20-13-14(10-12-28-20)17-3-2-11-29-23(17)33-16-6-4-15(5-7-16)30-24-31-19-9-8-18(25)21(26)22(19)32-24/h2-13H,1H3,(H,27,28)(H2,30,31,32)","","2013-10-07","2013-10-18","2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine","2013-10-23"],["MWV","(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate","C29 H38 F N3 O3","COCC(OC1(C(c2c(CC1)cc(cc2)F)C(C)C)CCN(C)CCCc4nc3c(cccc3)n4)=O;COCC(=O)O[C]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)ccc4[CH]1C(C)C;CC(C)C1c2ccc(cc2CCC1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F","InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1","","2019-04-23","2019-09-06","(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate","2019-09-11"],["2F5","1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone","C22 H19 N5 O3","O=C(c2nc1ccccc1n2)c5ccc(Oc4nccnc4N3CCOCC3)cc5;O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3;c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5","InChI=1S/C22H19N5O3/c28-19(20-25-17-3-1-2-4-18(17)26-20)15-5-7-16(8-6-15)30-22-21(23-9-10-24-22)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,25,26)","","2013-10-07","2013-10-18","1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone","2013-10-23"],["MWW","4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine","C30 H38 N6 O S","NCCCCc1cn(nn1)c2ccc(c(OCCC3CCNCC3)c2)c4scc(CCc5ccccc5)n4;c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN","InChI=1S/C30H38N6OS/c31-16-5-4-8-25-21-36(35-34-25)27-11-12-28(29(20-27)37-19-15-24-13-17-32-18-14-24)30-33-26(22-38-30)10-9-23-6-2-1-3-7-23/h1-3,6-7,11-12,20-22,24,32H,4-5,8-10,13-19,31H2","","2019-10-28","2020-11-13","4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine","2020-11-18"],["2F6","1',3'-dimethyl-1H,1'H-3,4'-bipyrazole","C8 H10 N4","n1n(cc(c1C)c2nncc2)C;Cn1cc(c(C)n1)c2cc[nH]n2;Cc1c(cn(n1)C)c2cc[nH]n2","InChI=1S/C8H10N4/c1-6-7(5-12(2)11-6)8-3-4-9-10-8/h3-5H,1-2H3,(H,9,10)","","2014-03-20","2014-09-05","1',3'-dimethyl-1H,1'H-3,4'-bipyrazole","2014-06-25"],["MWX","Fradafiban","C20 H21 N3 O4","N=C(N)c1ccc(cc1)c1ccc(cc1)OCC1CC(CC(=O)O)C(=O)N1;NC(=N)c1ccc(cc1)c2ccc(OC[CH]3C[CH](CC(O)=O)C(=O)N3)cc2;c1cc(ccc1c2ccc(cc2)OCC3CC(C(=O)N3)CC(=O)O)C(=N)N","InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1","[(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid","2022-03-21","2022-08-12","[(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid","2022-08-17"],["2F7","N-(4-fluorobenzoyl)-L-alloisoleucyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","C21 H29 F N3 O11 P","O=C(c1ccc(F)cc1)NC(C(=O)NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O)C(C)CC;CC[CH](C)[CH](NC(=O)c1ccc(F)cc1)C(=O)N[CH](CO[P](O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CCC(C)C(C(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F","InChI=1S/C21H29FN3O11P/c1-3-11(2)17(24-18(28)12-4-6-13(22)7-5-12)19(29)23-15(21(32)33)10-36-37(34,35)25-14(20(30)31)8-9-16(26)27/h4-7,11,14-15,17H,3,8-10H2,1-2H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)(H,32,33)(H2,25,34,35)/t11-,14+,15+,17+/m1/s1","","2014-03-21","2015-05-15","N-(4-fluorobenzoyl)-L-alloisoleucyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","2015-05-20"],["MWY","(3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate","C24 H38 N4 O4 S","CCC3(C)CC(OC(CSc1nnc(N)n1)=O)C2(C4C(CCC2C)(C(C3O)C)CCC4=O)C;CC[C]1(C)C[CH](OC(=O)CSc2n[nH]c(N)n2)[C]3(C)[CH](C)CC[C]4(CCC(=O)[CH]34)[CH](C)[CH]1O;CCC1(CC(C2(C(CCC3(C2C(=O)CC3)C(C1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C","InChI=1S/C24H38N4O4S/c1-6-22(4)11-16(32-17(30)12-33-21-26-20(25)27-28-21)23(5)13(2)7-9-24(14(3)19(22)31)10-8-15(29)18(23)24/h13-14,16,18-19,31H,6-12H2,1-5H3,(H3,25,26,27,28)/t13-,14+,16-,18+,19+,22-,23+,24+/m1/s1","","2019-04-23","2019-09-06","(3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate","2019-09-11"],["2F8","methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside","C9 H17 N O6","O=C(NC1C(O)C(O)C(OC1OC)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1OC)CO)O)O","InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1","methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside; methyl 2-acetamido-2-deoxy-alpha-D-glucoside; methyl\n2-acetamido-2-deoxy-D-glucoside; methyl 2-acetamido-2-deoxy-glucoside","2013-10-08","2020-07-17","methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside","2013-11-20"],["2F9","N-(4-fluorobenzoyl)-L-valyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","C20 H27 F N3 O11 P","O=C(c1ccc(F)cc1)NC(C(=O)NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O)C(C)C;CC(C)[CH](NC(=O)c1ccc(F)cc1)C(=O)N[CH](CO[P](O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(C)C(C(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F","InChI=1S/C20H27FN3O11P/c1-10(2)16(23-17(27)11-3-5-12(21)6-4-11)18(28)22-14(20(31)32)9-35-36(33,34)24-13(19(29)30)7-8-15(25)26/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,22,28)(H,23,27)(H,25,26)(H,29,30)(H,31,32)(H2,24,33,34)/t13-,14-,16-/m0/s1","","2014-03-21","2015-05-15","N-(4-fluorobenzoyl)-L-valyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","2015-05-20"],["MWZ","4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine","C31 H41 N6 O S","C[n+]1nn(cc1CCCCN)c2ccc(c(OCCC3CCNCC3)c2)c4scc(CCc5ccccc5)n4;C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN","InChI=1S/C31H41N6OS/c1-36-28(9-5-6-17-32)22-37(35-36)27-12-13-29(30(21-27)38-20-16-25-14-18-33-19-15-25)31-34-26(23-39-31)11-10-24-7-3-2-4-8-24/h2-4,7-8,12-13,21-23,25,33H,5-6,9-11,14-20,32H2,1H3/q+1","","2019-10-28","2020-11-13","4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine","2020-11-18"],["MX0","(1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","C13 H16 N2 O8","O=C1N2C(=C(C)COC2C1(OC)NC(=O)C(C)C(=O)O)C(=O)O;CO[C]1(NC(=O)[CH](C)C(O)=O)[CH]2OCC(=C(N2C1=O)C(O)=O)C;CC1=C(N2C(C(C2=O)(NC(=O)C(C)C(=O)O)OC)OC1)C(=O)O","InChI=1S/C13H16N2O8/c1-5-4-23-12-13(22-3,14-8(16)6(2)9(17)18)11(21)15(12)7(5)10(19)20/h6,12H,4H2,1-3H3,(H,14,16)(H,17,18)(H,19,20)/t6-,12-,13+/m1/s1","","2022-03-28","2022-04-08","(1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2022-04-13"],["2FA","2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL","C10 H12 F N5 O4","Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N;Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)O)F)N","InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1","2-FLUOROADENOSINE","2003-08-06","2020-06-17","2-fluoroadenosine",""],["MX1","(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO\nXYLIC ACID","C18 H18 N2 O10","O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(C(=C)CO2)C(=O)O;CO[C](NC(=O)[CH](C(O)=O)c1ccc(O)cc1)([CH]2OCC(=C)C(=N2)C(O)=O)C(O)=O;COC(C1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)C(c2ccc(cc2)O)C(=O)O","InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1","MOXALACTAM (HYDROLYZED)","2005-09-06","2024-09-27","(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid",""],["2FB","(6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine","C23 H19 N5 O S","N2=C(c1nc(sc1C2(c3ccc(OC)cc3)c5cccc(c4cncnc4)c5)C)N;COc1ccc(cc1)[C]2(N=C(N)c3nc(C)sc23)c4cccc(c4)c5cncnc5;Cc1nc2c(s1)C(N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5","InChI=1S/C23H19N5OS/c1-14-27-20-21(30-14)23(28-22(20)24,17-6-8-19(29-2)9-7-17)18-5-3-4-15(10-18)16-11-25-13-26-12-16/h3-13H,1-2H3,(H2,24,28)/t23-/m1/s1","","2012-08-16","2014-09-05","(6R)-6-(4-methoxyphenyl)-2-methyl-6-[3-(pyrimidin-5-yl)phenyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-amine","2013-06-26"],["2FC","N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide","C23 H28 N4 O2","O=C(N1CCN(C)CC1)Nc2cc4c(cc2)CCCC4NC(=O)c3ccccc3;CN1CCN(CC1)C(=O)Nc2ccc3CCC[CH](NC(=O)c4ccccc4)c3c2;CN1CCN(CC1)C(=O)Nc2ccc3c(c2)C(CCC3)NC(=O)c4ccccc4","InChI=1S/C23H28N4O2/c1-26-12-14-27(15-13-26)23(29)24-19-11-10-17-8-5-9-21(20(17)16-19)25-22(28)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,21H,5,8-9,12-15H2,1H3,(H,24,29)(H,25,28)/t21-/m1/s1","","2014-03-25","2014-10-24","N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide","2014-10-29"],["MX3","(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID","C14 H19 N3 O4","O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C;CN(Cc1ccccc1)C(=O)CCC(=O)N(N)CC(O)=O;CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N","InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21)","AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE","2005-09-29","2024-09-27","(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid",""],["MX4","{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID","C13 H16 N2 O5","O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1;NN(CC(O)=O)C(=O)CCC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N","InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18)","","2005-09-29","2024-09-27","{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid",""],["2FD","5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL","C10 H12 F N5 O3","Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N;Nc1nc(F)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;c1nc2c(nc(nc2n1C3CC(C(O3)CO)O)F)N","InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1","2-FLUORO-2'-DEOXYADENOSINE","2003-08-06","2020-06-17","2'-deoxy-2-fluoroadenosine",""],["MX5","{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID","C15 H19 N3 O4","O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2;NN(CC(O)=O)C(=O)CCC(=O)N1CCCc2ccccc12;c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N","InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22)","{N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID","2005-10-02","2024-09-27","{1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid",""],["2FE","2'-fluoro-2'-deoxy-1,N6-ethenoadenine","C12 H13 F N5 O6 P","O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O;O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c4nccn4cnc23;c1cn2cnc3c(c2n1)ncn3C4C(C(C(O4)COP(=O)(O)O)O)F","InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1","3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine","2008-04-28","2020-06-17","3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine",""],["MX7","(2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate","C39 H73 O8 P","O=C(OC(COP(=O)(O)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1","dioleoyl-phosphatidic acid","2013-09-30","2021-03-01","(2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate","2014-10-01"],["2FF","(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone","C26 H24 N2 O3","O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)c5oc(C#Cc4ccccc4)cc5;NCc1ccc2OCC3(CCN(CC3)C(=O)c4oc(cc4)C#Cc5ccccc5)c2c1;c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN","InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2","","2007-10-04","2011-06-04","1-(1'-{[5-(phenylethynyl)furan-2-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine",""],["MX8","4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide","C18 H28 N2 O4","CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(=O)NO;CCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NO","InChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1","","2019-10-28","2020-02-21","4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide","2020-02-26"],["2FG","2-deoxy-2-fluoro-beta-D-galactopyranose","C6 H11 F O5","FC1C(O)C(O)C(OC1O)CO;OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)F)O)O)O","InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1","2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE; 2-deoxy-2-fluoro-beta-D-galactose; 2-deoxy-2-fluoro-D-galactose;\n2-deoxy-2-fluoro-galactose","2001-10-02","2024-09-27","2-deoxy-2-fluoro-beta-D-galactopyranose",""],["MX9","(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate","C17 H15 N O4","Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O;Cc1cccc(COC(=O)c2cccc3[CH](O)C(=O)Nc23)c1;Cc1cccc(c1)COC(=O)c2cccc3c2NC(=O)C3O","InChI=1S/C17H15NO4/c1-10-4-2-5-11(8-10)9-22-17(21)13-7-3-6-12-14(13)18-16(20)15(12)19/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m1/s1","","2023-08-16","2024-09-27","(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate","2023-11-08"],["2FH","2-PHENYLHEME","C40 H36 Fe N4 O4","O=C(O)CCC=1C=8[N+]4=C(C=1C)C=C5C(=C(C=C)C6=CC9=[N+]3C(=Cc2c(c(c(n2[Fe]34N56)C=8c7ccccc7)CCC(=O)O)C)C(C=C)=C9C)C;Cc1c(CCC(O)=O)c2n3c1C=C4C(=C(C)C5=[N+]4[Fe]36N7C(=CC8=[N+]6C(=C2c9ccccc9)C(=C8C)CCC(O)=O)C(=C(C=C)C7=C5)C)C=C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C","InChI=1S/C40H38N4O4.Fe/c1-7-26-21(3)30-18-32-23(5)28(14-16-36(45)46)39(43-32)38(25-12-10-9-11-13-25)40-29(15-17-37(47)48)24(6)33(44-40)20-35-27(8-2)22(4)31(42-35)19-34(26)41-30;/h7-13,18-20H,1-2,14-17H2,3-6H3,(H4,41,42,43,44,45,46,47,48);/q;+4/p-2/b30-18-,31-19-,32-18-,33-20-,34-19-,35-20-,39-38-,40-38-;","","2004-02-11","2011-06-04","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethyl-20-phenylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)",""],["MXA","6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE","C17 H19 N5 O2","n1cc(c(c2c1nc(nc2N)N)C)Cc3cc(OC)ccc3OC;COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1;Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC","InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)","","1999-07-08","2011-06-04","6-(2,5-dimethoxybenzyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine",""],["2FI","2'-fluoro-2'-deoxyinosine","C10 H12 F N4 O7 P","O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O;O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)F)N=CNC2=O","InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1","9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one","2008-04-28","2020-06-17","9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["MXB","(R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide","C18 H21 N7 O2","Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2;Cc1nccn1Cc2cn(nn2)CCC(c3ccccc3)NC(=O)C=NO","InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m1/s1","(2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide","2019-10-28","2021-02-12","(2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide","2020-07-15"],["2FJ","tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) L enantiomer","C64 H44 N14 Ru2","n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20;[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11;C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1","InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2","","2013-10-08","2013-10-25","tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)","2013-10-16"],["MXC","(2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid","C16 H18 N4 O8 S","O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1cc(ccn12)C(=O)N)C=O)N;C[C](COC(N)=O)([CH](Nc1n2ccc(cc2cc1C=O)C(N)=O)C(O)=O)[S](O)=O;CC(COC(=O)N)(C(C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)S(=O)O","InChI=1S/C16H18N4O8S/c1-16(29(26)27,7-28-15(18)25)11(14(23)24)19-13-9(6-21)5-10-4-8(12(17)22)2-3-20(10)13/h2-6,11,19H,7H2,1H3,(H2,17,22)(H2,18,25)(H,23,24)(H,26,27)/t11-,16-/m0/s1","","2009-01-28","2024-09-27","(3R)-N-(7-carbamoyl-2-formylindolizin-3-yl)-4-(carbamoyloxy)-3-sulfino-D-valine",""],["2FK","SUPEROXO ION","O2","O=[O-];[O-]=O","InChI=1S/O2/c1-2/q-1","","2013-10-08","2013-10-08","SUPEROXO ION",""],["MXD","6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE","C9 H15 N5 O","[O-][n+]1c(nc(cc1N)N2CCCCC2)N;Nc1cc(nc(N)[n+]1[O-])N2CCCCC2;c1c([n+](c(nc1N2CCCCC2)N)[O-])N","InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)","MINOXIDIL","2005-11-11","2020-06-17","6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide",""],["2FL","2-FLUORO-2-DEOXY-LACTOSE","C12 H21 F O10","FC2C(O)C(O)C(OC2OC1C(OC(O)C(O)C1O)CO)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)F)O)O)O","InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1","2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSYL-BETA-D-GLUCOPYRANOSE","2001-09-27","2020-07-17","4-O-(2-deoxy-2-fluoro-beta-D-galactopyranosyl)-beta-D-glucopyranose",""],["MXE","2-METHOXYETHANOL","C3 H8 O2","OCCOC;COCCO;COCCO","InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","","2003-06-06","2011-06-04","2-methoxyethanol",""],["2FM","S-(DIFLUOROMETHYL)HOMOCYSTEINE","C5 H9 F2 N O2 S","FC(F)SCCC(C(=O)O)N;N[CH](CCSC(F)F)C(O)=O;C(CSC(F)F)C(C(=O)O)N","InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1","DIFLUOROMETHIONINE","2003-05-28","2020-06-17","difluoro-L-methionine",""],["MXF","(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid","C17 H22 N4 O7 S","O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)NCCN;C[C](COC(=O)NCCN)([CH](Nc1n2ccccc2cc1C=O)C(O)=O)[S](O)=O;CC(COC(=O)NCCN)(C(C(=O)O)Nc1c(cc2n1cccc2)C=O)S(=O)O","InChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1","penam sulfone SA3-53, open form","2009-01-28","2024-09-27","(3R)-4-{[(2-aminoethyl)carbamoyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine",""],["2FN","N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide","C32 H42 Cl N3 O10 S","Clc5sc(c1onc(c1)COc4cccc(OCCCOC2OC(CO)C(O)C(O)C2O)c4NC(=O)C3CCN(C(C)C)CC3)cc5;CC(C)N1CCC(CC1)C(=O)Nc2c(OCCCO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cccc2OCc4cc(on4)c5sc(Cl)cc5;CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCOC5C(C(C(C(O5)CO)O)O)O","InChI=1S/C32H42ClN3O10S/c1-18(2)36-11-9-19(10-12-36)31(41)34-27-21(42-13-4-14-43-32-30(40)29(39)28(38)24(16-37)45-32)5-3-6-22(27)44-17-20-15-23(46-35-20)25-7-8-26(33)47-25/h3,5-8,15,18-19,24,28-30,32,37-40H,4,9-14,16-17H2,1-2H3,(H,34,41)/t24-,28-,29+,30-,32-/m1/s1","","2013-10-09","2013-10-25","N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide","2013-10-30"],["MXG","2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C24 H36 N6 O9 S","O=C(NC(C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)NC(C=O)C1N=C(C(=C)CS1)C(=O)O)CCCCN)C)C;C[CH](NC(C)=O)C(=O)N[CH](CCC(=O)N[CH](CCCCN)C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C=O)C1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C","InChI=1S/C24H36N6O9S/c1-12-11-40-22(30-19(12)24(38)39)17(10-31)29-21(35)15(6-4-5-9-25)27-18(33)8-7-16(23(36)37)28-20(34)13(2)26-14(3)32/h10,13,15-17,22H,1,4-9,11,25H2,2-3H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)(H,36,37)(H,38,39)/t13-,15-,16+,17+,22+/m0/s1","","2003-03-03","2011-06-04","N-acetyl-L-alanyl-D-gamma-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamide",""],["2FO","(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid","C7 H7 N O5","O=C(O)C(=[N@H])/C(=C/C=CO)/C(=O)O;OC=CC=C(C(O)=O)C(=N)C(O)=O;C(=CO)C=C(C(=N)C(=O)O)C(=O)O","InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5?","","2013-10-09","2020-07-24","(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid","2020-07-29"],["MXH","1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino\n]propanoyl]piperidin-4-yl]urea","C33 H41 F N6 O5 S","CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(CO)c(F)c4;CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO","InChI=1S/C33H41FN6O5S/c1-33(2,3)38-32(43)37-26-12-14-40(15-13-26)31(42)29(17-21-6-4-8-24(16-21)30(35)36)39-46(44,45)27-9-5-7-22(18-27)23-10-11-25(20-41)28(34)19-23/h4-11,16,18-19,26,29,39,41H,12-15,17,20H2,1-3H3,(H3,35,36)(H2,37,38,43)/t29-/m0/s1","(S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-ox\nopropyl)benzimidamide","2019-10-29","2020-11-13","1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea","2020-11-18"],["2FP","1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)","C6 H14 O12 P2","O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1","","1999-07-08","2024-09-27","1,6-di-O-phosphono-D-sorbose",""],["MXI","4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE","C23 H24 N4 O","COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4)C(C)(C)C;CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N","InChI=1S/C23H24N4O/c1-23(2,3)22-26-20(21(27-22)17-9-10-25-19(24)13-17)16-6-5-15-12-18(28-4)8-7-14(15)11-16/h5-13H,1-4H3,(H2,24,25)(H,26,27)","","2011-08-16","2023-09-23","4-[2-~{tert}-butyl-4-(6-methoxynaphthalen-2-yl)-1~{H}-imidazol-5-yl]pyridin-2-amine",""],["2FQ","6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one","C9 H10 N4 O","O=C2C(=Cc1c(nc(nc1)C)N2C)N;CN1C(=O)C(=Cc2cnc(C)nc12)N;Cc1ncc2c(n1)N(C(=O)C(=C2)N)C","InChI=1S/C9H10N4O/c1-5-11-4-6-3-7(10)9(14)13(2)8(6)12-5/h3-4H,10H2,1-2H3","","2013-10-10","2013-12-13","6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one","2013-12-18"],["MXJ","(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide","C16 H22 Cl F N4 O2","CCCNC(=O)N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CC(C2)N;CCCNC(=O)N1C[CH](N)C[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2;CCCNC(=O)N1CC(CC(C1)N)C(=O)Nc2ccc(c(c2)F)Cl","InChI=1S/C16H22ClFN4O2/c1-2-5-20-16(24)22-8-10(6-11(19)9-22)15(23)21-12-3-4-13(17)14(18)7-12/h3-4,7,10-11H,2,5-6,8-9,19H2,1H3,(H,20,24)(H,21,23)/t10-,11+/m0/s1","","2019-04-24","2020-03-06","(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide","2020-03-11"],["2FR","3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide","C24 H25 N5 O","O=C(N)CCc1cc(ccc1)n4nc(c2c4cc(nc2)NC(c3ccccc3)C)C;C[CH](Nc1cc2n(nc(C)c2cn1)c3cccc(CCC(N)=O)c3)c4ccccc4;Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)NC(C)c4ccccc4","InChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)/t16-/m0/s1","3-{3-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-phenyl}-propionamide","2008-06-16","2021-03-13","3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide",""],["MXK","(2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid\ne","C18 H21 N7 O2","Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2;Cc1nccn1Cc2cn(nn2)CCC(c3ccccc3)NC(=O)C=NO","InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m0/s1","2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide","2019-10-29","2020-07-10","(2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide","2020-07-15"],["2FS","(1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","C26 H28 N2 O4","O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4;OC(=O)[CH]1CCCC[CH]1C(=O)N2CCc3ccccc3[CH]2CN4Cc5ccccc5C4=O;c1ccc2c(c1)CCN(C2CN3Cc4ccccc4C3=O)C(=O)C5CCCCC5C(=O)O","InChI=1S/C26H28N2O4/c29-24-20-10-4-2-8-18(20)15-27(24)16-23-19-9-3-1-7-17(19)13-14-28(23)25(30)21-11-5-6-12-22(21)26(31)32/h1-4,7-10,21-23H,5-6,11-16H2,(H,31,32)/t21-,22+,23-/m1/s1","","2013-10-10","2014-02-14","(1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid","2014-02-19"],["MXL","MOXALACTAM","C20 H20 N6 O9 S","O=C2N1C(=C(COC1C2(OC)NC(=O)C(c3ccc(O)cc3)C(=O)O)CSc4nnnn4C)C(=O)O;CO[C]1(NC(=O)[CH](C(O)=O)c2ccc(O)cc2)[CH]3OCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C;Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(NC(=O)C(c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O","InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1","7-((CARBOXY(4-HYDROXYPHENYL)ACETYL)AMINO)-7-METHOXY-(3-((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID","2001-10-30","2021-03-01","(6R,7R)-7-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["2FT","2,2-difluoropentanedioic acid","C5 H6 F2 O4","OC(=O)CCC(F)(F)C(O)=O;C(CC(C(=O)O)(F)F)C(=O)O","InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)","","2010-01-25","2011-06-04","2,2-difluoropentanedioic acid",""],["MXM","4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","C14 H13 N3 O4 S2","O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C;CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3;Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O","InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)","Meloxicam","2013-08-09","2020-06-17","4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","2014-01-22"],["2FU","BUT-2-ENEDIAL","C4 H4 O2","O=CC=CC=O;O=CC=CC=O;C(=CC=O)C=O","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+","","1999-07-08","2024-09-27","(2E)-but-2-enedial",""],["2FX","1-benzothiophen-2-ylacetic acid","C10 H8 O2 S","O=C(O)Cc2sc1ccccc1c2;OC(=O)Cc1sc2ccccc2c1;c1ccc2c(c1)cc(s2)CC(=O)O","InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)","","2009-10-30","2011-06-04","1-benzothiophen-2-ylacetic acid",""],["MXN","(2R)-hydroxy(phenyl)ethanenitrile","C8 H7 N O","N#CC(O)c1ccccc1;O[CH](C#N)c1ccccc1;c1ccc(cc1)C(C#N)O","InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1","(R)-mandelonitrile","2009-02-26","2020-06-17","(2R)-hydroxy(phenyl)ethanenitrile",""],["2FY","1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE","C9 H10 O3","O=C(c1ccc(O)cc1O)CC;CCC(=O)c1ccc(O)cc1O;CCC(=O)c1ccc(cc1O)O","InChI=1S/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3","","2011-03-30","2011-06-10","1-(2,4-dihydroxyphenyl)propan-1-one",""],["MXO","N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide","C18 H20 N6 O3 S","O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(C#N)nn1;C[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1;CS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N","InChI=1S/C18H20N6O3S/c1-28(26,27)22-15-4-2-14(3-5-15)12-18(25)24-10-8-23(9-11-24)17-7-6-16(13-19)20-21-17/h2-7,22H,8-12H2,1H3","","2022-03-22","2023-03-24","N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide","2023-03-29"],["2FZ","(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate","C25 H29 F N4 O5","Fc1ccc(cc1)C(=O)NC4c5cc(N2CCN(CC2)C3COC3)ccc5OCC4OC(=O)NC;CNC(=O)O[CH]1COc2ccc(cc2[CH]1NC(=O)c3ccc(F)cc3)N4CCN(CC4)C5COC5;CNC(=O)OC1COc2ccc(cc2C1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5","InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1","","2014-03-25","2014-10-24","(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate","2014-10-29"],["MXP","Myxopyronin B","C23 H31 N O6","O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C;CCCCC(C)=CC=C(C)C(=O)C1=C(O)C=C(CCCC=CNC(=O)OC)OC1=O;CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)CCCC=CNC(=O)OC)O)C","InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+","methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate","2008-10-16","2020-06-17","methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate",""],["MXQ","(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one","C14 H20 N2 O2","OCCCC1=CC=C2[CH]3CNC[CH](C3)CN2C1=O;C1C2CNCC1C3=CC=C(C(=O)N3C2)CCCO","InChI=1S/C14H20N2O2/c17-5-1-2-11-3-4-13-12-6-10(7-15-8-12)9-16(13)14(11)18/h3-4,10,12,15,17H,1-2,5-9H2/t10-,12+/m0/s1","","2019-10-29","2020-02-07","(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one","2020-02-12"],["2G0","(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide","C25 H45 N5 O8","O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N)CC(C)C)CCC1)CCCCN)CC2OC(C(O)C(O)C2O)C;CC(C)C[CH](NC(=O)[CH]1CCCN1C(=O)[CH](CCCCN)NC(=O)C[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)C(N)=O;CC1C(C(C(C(O1)CC(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)N)O)O)O","InChI=1S/C25H45N5O8/c1-13(2)11-16(23(27)35)29-24(36)17-8-6-10-30(17)25(37)15(7-4-5-9-26)28-19(31)12-18-21(33)22(34)20(32)14(3)38-18/h13-18,20-22,32-34H,4-12,26H2,1-3H3,(H2,27,35)(H,28,31)(H,29,36)/t14-,15-,16-,17-,18-,20+,21+,22+/m0/s1","","2008-06-30","2011-06-04","(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide (non-preferred name)",""],["LB3","(9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol","C18 H18 F2 N6 O3","Fc1ccc(cc1F)C1CCNc2nc3c(N)ncnc3n2C2OC1C(O)C2O;Nc1ncnc2n3[CH]4O[CH]([CH](O)[CH]4O)[CH](CCNc3nc12)c5ccc(F)c(F)c5;c1cc(c(cc1C2CCNc3nc4c(ncnc4n3C5C(C(C2O5)O)O)N)F)F","InChI=1S/C18H18F2N6O3/c19-9-2-1-7(5-10(9)20)8-3-4-22-18-25-11-15(21)23-6-24-16(11)26(18)17-13(28)12(27)14(8)29-17/h1-2,5-6,8,12-14,17,27-28H,3-4H2,(H,22,25)(H2,21,23,24)/t8-,12+,13-,14-,17-/m1/s1","","2022-03-01","2022-05-27","(9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol","2022-06-01"],["2G1","4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide","C13 H13 F3 N2 O2 S2","FC(F)(F)CCNS(=O)(=O)c2ccc(c1nc(sc1)C)cc2;Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F;Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F","InChI=1S/C13H13F3N2O2S2/c1-9-18-12(8-21-9)10-2-4-11(5-3-10)22(19,20)17-7-6-13(14,15)16/h2-5,8,17H,6-7H2,1H3","","2013-08-13","2014-06-20","4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide","2014-06-25"],["LB4","6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide","C27 H26 F N7 O3","c4c(Nc1ncc(C(NC)=O)c(c1)Nc2cccc(c2OC)C(NCc3ccccn3)=O)ncc(c4C)F;CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc3cccc(C(=O)NCc4ccccn4)c3OC;Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4","InChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35)","","2019-02-15","2019-07-26","6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide","2019-07-31"],["2G2","L-gamma-glutamyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","C13 H22 N3 O12 P","O=P(OCC(NC(=O)CCC(C(=O)O)N)C(=O)O)(O)NC(C(=O)O)CCC(=O)O;N[CH](CCC(=O)N[CH](CO[P](O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O;C(CC(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)C(C(=O)O)N","InChI=1S/C13H22N3O12P/c14-6(11(20)21)1-3-9(17)15-8(13(24)25)5-28-29(26,27)16-7(12(22)23)2-4-10(18)19/h6-8H,1-5,14H2,(H,15,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H2,16,26,27)/t6-,7-,8-/m0/s1","","2014-03-27","2015-05-15","L-gamma-glutamyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","2015-05-20"],["LB5","~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide","C26 H32 N6 O3 S","Cc1ccccc1n2cc(cn2)C(=O)NCc3sc(cn3)C(=O)N[CH](CCC4CCCCC4)C(N)=O;Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)NC(CCC4CCCCC4)C(=O)N","InChI=1S/C26H32N6O3S/c1-17-7-5-6-10-21(17)32-16-19(13-30-32)25(34)29-15-23-28-14-22(36-23)26(35)31-20(24(27)33)12-11-18-8-3-2-4-9-18/h5-7,10,13-14,16,18,20H,2-4,8-9,11-12,15H2,1H3,(H2,27,33)(H,29,34)(H,31,35)/t20-/m0/s1","","2019-08-02","2019-09-06","~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide","2019-09-11"],["2G3","3,3-dimethylbutan-1-amine","C6 H15 N","NCCC(C)(C)C;CC(C)(C)CCN;CC(C)(C)CCN","InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3","","2013-10-11","2014-03-28","3,3-dimethylbutan-1-amine","2014-04-02"],["2G4","N-[(S)-hydroxy(4-phenylbutoxy)phosphoryl]-L-glutamic acid","C15 H22 N O7 P","O=C(O)C(NP(=O)(O)OCCCCc1ccccc1)CCC(=O)O;OC(=O)CC[CH](N[P](O)(=O)OCCCCc1ccccc1)C(O)=O;c1ccc(cc1)CCCCOP(=O)(NC(CCC(=O)O)C(=O)O)O","InChI=1S/C15H22NO7P/c17-14(18)10-9-13(15(19)20)16-24(21,22)23-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)(H2,16,21,22)/t13-/m0/s1","","2014-03-27","2015-05-15","N-[(S)-hydroxy(4-phenylbutoxy)phosphoryl]-L-glutamic acid","2015-05-20"],["LB6","N-[(6-bromo-1H-indol-1-yl)acetyl]glycine","C12 H11 Br N2 O3","O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21;OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12;c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br","InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)","","2021-04-05","2021-06-18","N-[(6-bromo-1H-indol-1-yl)acetyl]glycine","2021-06-23"],["LB7","6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide","C20 H22 N8 O3","C(Nc1nnc(c(c1)Nc3c(c(c2nn(C)cn2)ccc3)OC)C(NC)=O)(C4CC4)=O;CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c4ncn(C)n4)c3OC;CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C","InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)","","2019-02-15","2019-07-26","6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide","2019-07-31"],["2G5","N-[(S)-[(2S)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid","C15 H19 N2 O10 P","O=C(NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O)c1ccccc1;OC(=O)CC[CH](N[P](O)(=O)OC[CH](NC(=O)c1ccccc1)C(O)=O)C(O)=O;c1ccc(cc1)C(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O","InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/t10-,11-/m0/s1","","2014-03-27","2015-05-15","N-[(S)-[(2S)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid","2015-05-20"],["LB8","~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide","C29 H32 F3 N5 O3","Cc1ccc(cc1NC(=O)c2cnn(c3ccccc3)c2C(F)(F)F)C(=O)N[CH](CCC4CCCCC4)C(N)=O;Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)NC(CCC4CCCCC4)C(=O)N","InChI=1S/C29H32F3N5O3/c1-18-12-14-20(27(39)35-23(26(33)38)15-13-19-8-4-2-5-9-19)16-24(18)36-28(40)22-17-34-37(25(22)29(30,31)32)21-10-6-3-7-11-21/h3,6-7,10-12,14,16-17,19,23H,2,4-5,8-9,13,15H2,1H3,(H2,33,38)(H,35,39)(H,36,40)/t23-/m0/s1","","2019-08-02","2019-09-06","~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide","2019-09-11"],["2G6","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic\nacid","C21 H36 N3 O5 P","O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)(C)C;CC(C)CC(C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide","2013-10-11","2020-06-17","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide","2014-04-02"],["LB9","5-azaniumylpentylazanium","C5 H16 N2","[NH3+]CCCCC[NH3+];C(CC[NH3+])CC[NH3+]","InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2","cadaverine (protonated)","2022-06-29","2023-02-17","5-azaniumylpentylazanium","2023-02-22"],["2G7","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid","C19 H32 N3 O5 P","O=C(NCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CC(C)CNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CC(C)CC(C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/t17-/m0/s1","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide","2013-10-11","2021-03-01","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide","2014-04-02"],["LBA","2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid","C31 H24 N4 O7","c4(OCC(COc1ccc(cc1)c2nc3c(n2)cc(cc3)C(O)=O)O)ccc(cc4)c5nc6c(n5)ccc(c6)C(O)=O;O[CH](COc1ccc(cc1)c2[nH]c3ccc(cc3n2)C(O)=O)COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(O)=O;c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OCC(COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O","InChI=1S/C31H24N4O7/c36-21(15-41-22-7-1-17(2-8-22)28-32-24-11-5-19(30(37)38)13-26(24)34-28)16-42-23-9-3-18(4-10-23)29-33-25-12-6-20(31(39)40)14-27(25)35-29/h1-14,21,36H,15-16H2,(H,32,34)(H,33,35)(H,37,38)(H,39,40)","","2019-02-15","2019-05-24","2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid","2019-05-29"],["2G8","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid","C18 H30 N3 O5 P","O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CCCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CCCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide","2013-10-11","2020-06-17","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide","2014-04-02"],["LBB","~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide","C29 H35 N5 O3","Cc1ccc(cc1NC(=O)c2cnn(c2)c3ccccc3C)C(=O)N[CH](CCC4CCCCC4)C(N)=O;Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)NC(CCC4CCCCC4)C(=O)N","InChI=1S/C29H35N5O3/c1-19-12-14-22(28(36)32-24(27(30)35)15-13-21-9-4-3-5-10-21)16-25(19)33-29(37)23-17-31-34(18-23)26-11-7-6-8-20(26)2/h6-8,11-12,14,16-18,21,24H,3-5,9-10,13,15H2,1-2H3,(H2,30,35)(H,32,36)(H,33,37)/t24-/m0/s1","","2019-08-02","2019-09-06","~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide","2019-09-11"],["2G9","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic\nacid","C20 H34 N3 O5 P","O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CC[CH](C)CNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CCC(C)CNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide","2013-10-11","2020-06-17","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide","2014-04-02"],["2GA","2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE","C8 H10 N4 S3","n2c(c(Sc1nnc(SC)s1)c(n2)C)C;CSc1sc(Sc2c(C)[nH]nc2C)nn1;Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC","InChI=1S/C8H10N4S3/c1-4-6(5(2)10-9-4)14-8-12-11-7(13-3)15-8/h1-3H3,(H,9,10)","","2011-03-25","2011-06-10","2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(methylsulfanyl)-1,3,4-thiadiazole",""],["LBC","2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide","C14 H13 I N2 O","O=C(Nc1cnccc1C)Cc1cccc(I)c1;Cc1ccncc1NC(=O)Cc2cccc(I)c2;Cc1ccncc1NC(=O)Cc2cccc(c2)I","InChI=1S/C14H13IN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)","","2023-08-15","2023-11-03","2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["LBD","N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine","C20 H27 N7","CC1CNCCN1c2nc(c3c(n2)cccc3)Nc4nnc(C(C)(C)C)c4;C[CH]1CNCCN1c2nc(Nc3[nH]nc(c3)C(C)(C)C)c4ccccc4n2;CC1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C","InChI=1S/C20H27N7/c1-13-12-21-9-10-27(13)19-22-15-8-6-5-7-14(15)18(24-19)23-17-11-16(25-26-17)20(2,3)4/h5-8,11,13,21H,9-10,12H2,1-4H3,(H2,22,23,24,25,26)/t13-/m1/s1","","2019-02-15","2019-03-22","N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine","2019-03-27"],["2GB","N-[(S)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-L-glutamic acid","C18 H20 N O7 P","O=C(O)C(NP(=O)(OCc1ccc(cc1)c2ccccc2)O)CCC(=O)O;OC(=O)CC[CH](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O;c1ccc(cc1)c2ccc(cc2)COP(=O)(NC(CCC(=O)O)C(=O)O)O","InChI=1S/C18H20NO7P/c20-17(21)11-10-16(18(22)23)19-27(24,25)26-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H2,19,24,25)/t16-/m0/s1","","2014-03-27","2015-05-15","N-[(S)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-L-glutamic acid","2015-05-20"],["LBE","5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C27 H33 N5 O2","Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)NCCCC3CCCCC3)c4ccccc4;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N","InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)","","2019-08-02","2019-09-06","5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2019-09-11"],["2GC","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid","C23 H32 N3 O5 P","C(OC(=O)NCP(NC(CC(C)C)C(=O)NCCc1ccccc1)(=O)O)c2ccccc2;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc2ccccc2;CC(C)CC(C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O","InChI=1S/C23H32N3O5P/c1-18(2)15-21(22(27)24-14-13-19-9-5-3-6-10-19)26-32(29,30)17-25-23(28)31-16-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,24,27)(H,25,28)(H2,26,29,30)/t21-/m0/s1","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide","2013-10-11","2021-03-01","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide","2014-04-02"],["LBF","Leptomycin B","C33 H48 O6","O=C(O)C=C(/C)CC(C)C(O)C(C(=O)C(/C=C(/C=C/CC(/C=C(C=CC1OC(=O)C=CC1C)CC)C)C)C)C;CCC(C=C[CH]1OC(=O)C=C[CH]1C)=C[CH](C)CC=CC(C)=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC(C)=CC(O)=O;CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C","InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1","","2012-10-11","2024-09-27","(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid","2013-01-04"],["2GD","6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine","C11 H10 Cl2 N4","Clc2c(Cl)c(c1nc(nc(c1)NC)N)ccc2;CNc1cc(nc(N)n1)c2cccc(Cl)c2Cl;CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl","InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)","","2013-10-12","2014-04-11","6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine","2014-04-16"],["LBG","methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate","C20 H14 Cl F2 N O5 S","c1(Cl)c(O)c(cc(c1)C(OC)=O)S(Nc2cc(c(cc2F)F)c3ccccc3)(=O)=O;COC(=O)c1cc(Cl)c(O)c(c1)[S](=O)(=O)Nc2cc(c(F)cc2F)c3ccccc3;COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3","InChI=1S/C20H14ClF2NO5S/c1-29-20(26)12-7-14(21)19(25)18(8-12)30(27,28)24-17-9-13(15(22)10-16(17)23)11-5-3-2-4-6-11/h2-10,24-25H,1H3","","2019-02-18","2019-04-12","methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate","2019-04-17"],["2GE","N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine","C13 H12 Cl2 N4","Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3;Nc1nc(NC2CC2)cc(n1)c3cccc(Cl)c3Cl;c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3","InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)","","2013-10-15","2014-04-11","N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine","2014-04-16"],["LBH","Panobinostat","C21 H23 N3 O2","Cc1[nH]c2ccccc2c1CCNCc3ccc(C=CC(=O)NO)cc3;Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)C=CC(=O)NO","InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+","","2015-10-29","2016-07-22","(~{E})-3-[4-[[2-(2-methyl-1~{H}-indol-3-yl)ethylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide","2016-07-27"],["2GF","[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate","C9 H11 Cl N3 O7 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(Cl)=C1)CC2=O;NC1=NC(=O)N(C=C1Cl)[CH]2CC(=O)[CH](CO[P](O)(O)=O)O2;C1C(OC(C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl","InChI=1S/C9H11ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,6-7H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-/m1/s1","5-CHLORO DEOXYCYTIDINE-5'-MONOPHOSPHATE","2013-10-15","2021-03-01","[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate","2013-11-06"],["LBI","4-methoxy-1H-indole-2-carbaldehyde","C10 H9 N O2","COc1cccc2[NH]c(cc21)C=O;COc1cccc2[nH]c(C=O)cc12;COc1cccc2c1cc([nH]2)C=O","InChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3","","2022-03-01","2024-09-27","4-methoxy-1H-indole-2-carbaldehyde","2022-12-07"],["2GG","5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE","C19 H17 Cl N2 O5","O=C(c2noc(c2c1ccc(OC)cc1)c3cc(Cl)c(O)cc3O)NCC;CCNC(=O)c1noc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3;CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC","InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)","","2007-03-20","2011-06-04","5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide",""],["LBJ","6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","C12 H14 N2 O","COc1ccc2[nH]c3CNCCc3c2c1;COc1ccc2c(c1)c3c([nH]2)CNCC3","InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3","","2022-06-29","2023-06-30","6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2023-07-05"],["2GH","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide","C14 H29 N2 O7 P","O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C)(O)O;CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C14H29N2O7P/c1-4-5-6-8-15-11(17)7-9-16-13(19)12(18)14(2,3)10-23-24(20,21)22/h12,18H,4-10H2,1-3H3,(H,15,17)(H,16,19)(H2,20,21,22)/t12-/m0/s1","","2013-10-16","2024-09-27","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide","2014-09-03"],["2GI","1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C23 H27 N9 O","CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CCc4ccccc4)nn3)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cn(nn4)CCc5ccccc5)c(ncn3)N","InChI=1S/C23H27N9O/c1-2-19(33)30-11-6-9-17(13-30)32-23-20(22(24)25-15-26-23)21(28-32)18-14-31(29-27-18)12-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H2,24,25,26)/t17-/m1/s1","","2021-06-15","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2022-07-20"],["LBK","6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine","C18 H19 N3 O2","COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC;CC(c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC","InChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1","","2019-08-02","2020-08-21","6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine","2020-08-26"],["2GJ","5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE","C26 H31 N3 O5","O=C(NCC)c2noc(c1cc(c(O)cc1O)C(C)C)c2c3ccc(cc3)CN4CCOCC4;CCNC(=O)c1noc(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3;CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4","InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)","","2007-09-24","2011-06-04","5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide",""],["LBL","(2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,\n6-tetrakis(oxidanyl)hexanal","C12 H22 O11","OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O;C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1","4-O-beta-D-Galactopyranosyl-D-glucose","2020-02-14","2021-08-20","(2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanal","2021-08-25"],["LBM","4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl\n)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide","C45 H50 Cl N7 O7 S","c1c(Cl)ccc(c1)C8=C(CN2CCN(CC2)c5cc(Oc4cc3c(ncc3)nc4)c(cc5)C(=O)NS(c7ccc(NCC6CCOCC6)c(c7)[N+]([O-])=O)(=O)=O)CCC(C)(C8)C;CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)N[S](=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+]([O-])=O)c(Oc7cnc8[nH]ccc8c7)c4;CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C","InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)","Venetoclax,\n2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)pipe\nrazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide","2019-02-18","2021-03-13","4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide","2019-05-22"],["2GK","(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid","C11 H9 B O4 S","O=C(O)C=Cc1c2ccccc2sc1B(O)O;OB(O)c1sc2ccccc2c1C=CC(O)=O;B(c1c(c2ccccc2s1)C=CC(=O)O)(O)O","InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+","","2014-02-21","2024-09-27","(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid","2014-06-18"],["LBN","1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine","C42 H82 N O8 P","C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1","(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate","2013-02-14","2020-06-17","(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate","2020-01-08"],["2GL","4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose","C8 H14 O5","O=C(OC1C(OC(O)CC1O)C)C;C[CH]1O[CH](O)C[CH](O)[CH]1OC(C)=O;CC1C(C(CC(O1)O)O)OC(=O)C","InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1","4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE; 4-O-acetyl-2,6-dideoxy-beta-D-galactose;\n4-O-acetyl-2,6-dideoxy-D-galactose; 4-O-acetyl-2,6-dideoxy-galactose","1999-07-08","2020-07-17","4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose",""],["LBO","2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide","C17 H18 N2 O","O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1;Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3;Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3","InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20)","","2023-08-15","2023-11-03","2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["2GM","Dihydroergotamine","C33 H37 N5 O5","O=C6N7C(C(=O)N1CCCC1C7(O)OC6(NC(=O)C4CC5c2cccc3c2c(cn3)CC5N(C)C4)C)Cc8ccccc8;CN1C[CH](C[CH]2[CH]1Cc3c[nH]c4cccc2c34)C(=O)N[C]5(C)O[C]6(O)[CH]7CCCN7C(=O)[CH](Cc8ccccc8)N6C5=O;CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CC6c7cccc8c7c(c[nH]8)CC6N(C5)C","InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1","","2013-01-17","2013-03-08","(5alpha,5'beta,10alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman","2013-03-13"],["LBP","(2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid","C8 H19 N2 O6 P S","O=S(=NP(=O)(O)O)(CCC(N)C(=O)O)CCCC;CCCC[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O;CCCCS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N","InChI=1S/C8H19N2O6PS/c1-2-3-5-18(16,10-17(13,14)15)6-4-7(9)8(11)12/h7H,2-6,9H2,1H3,(H,11,12)(H2,13,14,15)/t7-,18-/m0/s1","","2010-03-09","2011-06-04","(2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid",""],["2GN","N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide","C27 H24 Cl2 N8 O4 S2","O=S(=O)(N1CCOCC1)c2cc(c(Cl)cc2Cl)C(=O)Nc3sc4c(c3C#N)CCN(C4)Cc6ccc(c5nnnn5)cc6;Clc1cc(Cl)c(cc1C(=O)Nc2sc3CN(CCc3c2C#N)Cc4ccc(cc4)c5n[nH]nn5)[S](=O)(=O)N6CCOCC6;c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6","InChI=1S/C27H24Cl2N8O4S2/c28-21-12-22(29)24(43(39,40)37-7-9-41-10-8-37)11-19(21)26(38)31-27-20(13-30)18-5-6-36(15-23(18)42-27)14-16-1-3-17(4-2-16)25-32-34-35-33-25/h1-4,11-12H,5-10,14-15H2,(H,31,38)(H,32,33,34,35)","","2013-02-05","2014-09-05","2,4-dichloro-N-{3-cyano-6-[4-(2H-tetrazol-5-yl)benzyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-5-(morpholin-4-ylsulfonyl)benzamide","2013-07-03"],["2GO","[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc","C55 H70 N4 O6 Zn","O=C(OC)C=3C=2C=1C(=C(C=4N=1[Zn]86N9C=2C(C=3O)=C(C9=CC=7C(=C(C(=Cc5c(C(=O)C)c(c(C=4)n56)C)N=78)C)CC)C)C)CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C;CCC1=C(C)C2=Cc3n4[Zn]5|6|N2=C1C=c7n5c8=C(C9=N|6C(=Cc4c(C)c3C(C)=O)C(=C9CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C)C(=C(O)c8c7C)C(=O)OC;CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C","InChI=1S/C55H72N4O6.Zn/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32H,13-24,26H2,1-12H3,(H3,56,57,58,59,60,62,63);/q;+2/p-2/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-;/t31-,32-;/m1./s1","","2013-10-16","2014-01-17","[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc","2014-01-22"],["LBQ","4-(furan-2-ylmethylamino)benzenesulfonamide","C11 H12 N2 O3 S","N[S](=O)(=O)c1ccc(NCc2occc2)cc1;c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N","InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)","","2019-08-02","2020-08-21","4-(furan-2-ylmethylamino)benzenesulfonamide","2020-08-26"],["LBR","(2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate","C30 H57 Br O5","BrCCCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCC)=O)CO;CCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCCCCCCBr;CCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCBr","InChI=1S/C30H57BrO5/c1-2-3-4-5-6-7-8-12-15-18-21-24-30(34)36-28(26-32)27-35-29(33)23-20-17-14-11-9-10-13-16-19-22-25-31/h28,32H,2-27H2,1H3/t28-/m0/s1","","2015-03-12","2015-10-09","(2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate","2015-10-14"],["2GP","GUANOSINE-2'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OP(=O)(O)O)CO;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O;c1nc2c(n1C3C(C(C(O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","2'-guanylic acid",""],["2GQ","3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one","C13 H14 N2 O","O=C2c1ccccc1C=C(N2)N3CCCC3;O=C1NC(=Cc2ccccc12)N3CCCC3;c1ccc2c(c1)C=C(NC2=O)N3CCCC3","InChI=1S/C13H14N2O/c16-13-11-6-2-1-5-10(11)9-12(14-13)15-7-3-4-8-15/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)","","2013-10-16","2013-12-13","3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one","2013-12-18"],["LBS","6-O-beta-D-fructofuranosyl-beta-D-fructofuranose","C12 H22 O11","O2C(COC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2(O)CO;OC[CH]1O[C](CO)(OC[CH]2O[C](O)(CO)[CH](O)[CH]2O)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1","","2012-06-15","2020-07-17","6-O-beta-D-fructofuranosyl-beta-D-fructofuranose",""],["LBT","ALPHA-LACTOSE","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1","","2004-07-13","2020-07-17","4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose",""],["2GR","N-[(S)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-L-glutamic acid","C14 H19 N2 O8 P","O=C(NCCOP(=O)(O)NC(C(=O)O)CCC(=O)O)c1ccccc1;OC(=O)CC[CH](N[P](O)(=O)OCCNC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NCCOP(=O)(NC(CCC(=O)O)C(=O)O)O","InChI=1S/C14H19N2O8P/c17-12(18)7-6-11(14(20)21)16-25(22,23)24-9-8-15-13(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,19)(H,17,18)(H,20,21)(H2,16,22,23)/t11-/m0/s1","","2014-03-27","2015-05-15","N-[(S)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-L-glutamic acid","2015-05-20"],["LBU","methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate","C19 H16 O7","c1cc(O)ccc1CC2(C(=O)OC)OC(C(=C2c3ccc(cc3)O)O)=O;COC(=O)[C]1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O;COC(=O)C1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O","InChI=1S/C19H16O7/c1-25-18(24)19(10-11-2-6-13(20)7-3-11)15(16(22)17(23)26-19)12-4-8-14(21)9-5-12/h2-9,20-22H,10H2,1H3/t19-/m0/s1","","2016-07-29","2016-12-16","methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate","2016-12-21"],["2GS","2-O-methyl-alpha-D-galactopyranose","C7 H14 O6","O(C)C1C(O)C(O)C(OC1O)CO;CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;COC1C(C(C(OC1O)CO)O)O","InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1","2-O-methyl-alpha-D-galactose; 2-O-methyl-D-galactose; 2-O-methyl-galactose","2006-09-26","2020-07-17","2-O-methyl-alpha-D-galactopyranose",""],["2GT","2'-O-PROPARGYL THYMIDINE-5'-MONOPHOSPHATE","C13 H17 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCC#C)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCC#C)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCC#C","InChI=1S/C13H17N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h1,5,8-10,12,16H,4,6H2,2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2004-12-17","2011-06-04","5-methyl-2'-O-prop-2-yn-1-yluridine 5'-(dihydrogen phosphate)",""],["LBV","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium\n-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-\nyl]propanoic acid","C33 H37 N4 O6","CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1","2(R),3(E)- PHYTOCHROMOBILIN","2006-12-22","2024-09-27","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["LBW","3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H37 N4 O6","CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m1/s1","","2011-12-31","2024-09-27","3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["2GU","5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide","C26 H22 F N5 O2","Fc3ccc(c2cc1cnc(nc1cc2)N)cc3C(=O)Nc4ccc5c(c4)NC(=O)CC5(C)C;CC1(C)CC(=O)Nc2cc(NC(=O)c3cc(ccc3F)c4ccc5nc(N)ncc5c4)ccc12;CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C","InChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32)","","2013-10-17","2013-12-06","5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide","2013-12-11"],["2GV","(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","C26 H23 N5 O2","O=C2OC(C)(C)C(c1ccccc1)N2c5ccc(c4cc(c3ncccn3)c(nc4)N)cc5;CC1(C)OC(=O)N([CH]1c2ccccc2)c3ccc(cc3)c4cnc(N)c(c4)c5ncccn5;CC1(C(N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C","InChI=1S/C26H23N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-16,22H,1-2H3,(H2,27,30)/t22-/m0/s1","","2013-10-17","2013-12-06","(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","2013-12-11"],["LBX","(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline","C8 H11 N O5","O=C(CCO)C(N=CCC=O)C(=O)O;OCCC(=O)[CH](N=CCC=O)C(O)=O;C(CO)C(=O)C(C(=O)O)N=CCC=O","InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1","","2022-03-01","2024-09-27","(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline","2022-05-25"],["LBY","N~6~-(tert-butoxycarbonyl)-L-lysine","C11 H22 N2 O4","O=C(OC(C)(C)C)NCCCCC(C(=O)O)N;CC(C)(C)OC(=O)NCCCC[CH](N)C(O)=O;CC(C)(C)OC(=O)NCCCCC(C(=O)O)N","InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1","","2005-07-05","2024-10-02","N~6~-(tert-butoxycarbonyl)-L-lysine",""],["2GW","5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate","C21 H28 N2 O17 P2","O=C2C(c1ccccc1)=CN(C(=O)N2)C3OC(C(O)C3O)COP(=O)(OP(=O)(OC4OC(C(O)C(O)C4O)CO)O)O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=C(C(=O)NC3=O)c4ccccc4)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C21H28N2O17P2/c24-7-11-13(25)15(27)17(29)20(38-11)39-42(34,35)40-41(32,33)36-8-12-14(26)16(28)19(37-12)23-6-10(18(30)22-21(23)31)9-4-2-1-3-5-9/h1-6,11-17,19-20,24-29H,7-8H2,(H,32,33)(H,34,35)(H,22,30,31)/t11-,12-,13+,14-,15+,16-,17-,19-,20-/m1/s1","","2012-01-04","2013-01-18","[(2R,3S,4R,5R)-5-(2,4-dioxo-5-phenyl-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2013-01-18"],["LBZ","(2~{S})-2-azanyl-6-benzamido-hexanoic acid","C13 H18 N2 O3","N[CH](CCCCNC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NCCCCC(C(=O)O)N","InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1","","2020-01-22","2024-09-27","(2~{S})-2-azanyl-6-benzamido-hexanoic acid","2020-11-18"],["2GX","beta-phenyl-L-phenylalanine","C15 H15 N O2","O=C(O)C(N)C(c1ccccc1)c2ccccc2;N[CH](C(c1ccccc1)c2ccccc2)C(O)=O;c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N","InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1","","2013-02-15","2024-09-27","beta-phenyl-L-phenylalanine","2016-10-26"],["LC","L-CYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1/f/h16-17H,10H2","","2003-10-16","2009-07-27","4-amino-1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one",""],["2GY","(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","C26 H29 N5 O2","O=C2OC(C)(C)C(c1ccccc1)N2C5CCC(c4cc(c3ncccn3)c(nc4)N)CC5;CC1(C)OC(=O)N([CH]2CC[CH](CC2)c3cnc(N)c(c3)c4ncccn4)[CH]1c5ccccc5;CC1(C(N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C","InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m0/s1","","2013-10-17","2013-12-06","(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","2013-12-11"],["LC0","3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine","C23 H24 N6 O4","COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4)cc2OC)cc1;Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N","InChI=1S/C23H24N6O4/c1-29-12-16(9-27-29)19-10-26-22(24)23(28-19)33-14-17-8-20(31-3)21(11-25-17)32-13-15-4-6-18(30-2)7-5-15/h4-12H,13-14H2,1-3H3,(H2,24,26)","","2010-02-16","2011-06-04","3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]pyridin-2-yl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine",""],["2GZ","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid","C20 H34 N3 O5 P","O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(C)(C)C;CC(C)CC(C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide","2013-10-17","2020-06-17","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide","2014-04-02"],["2H0","P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid","C20 H34 N3 O5 P","O=C(NCCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CC(C)CCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CC(C)CCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t18-/m0/s1","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide","2013-10-17","2021-03-01","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide","2014-04-02"],["LC1","2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide","C10 H8 N4 O2 S2","O=S(=O)(N)c3ccc2c(nc(c1ncsc1)n2)c3;N[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3cscn3;c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3","InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)","","2008-12-08","2011-06-04","2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide",""],["LC2","N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide","C25 H33 N O7","O=C(C(=O)NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(=O)C1C)C)C)C)C;C[CH]1[CH]2C[CH](O)C=CC(=CC[CH](O)C=CC(=C[CH](NC(=O)C(C)=O)[C](C)(C(=O)O2)C1=O)C)C;CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)O)C)O","InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1","Lankacidin C","2009-09-09","2021-03-01","N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide",""],["2H1","3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C25 H24 N6 O","n1c(c2c(nc1)n(nc2c5cc4ccc(OCc3ccccc3)nc4c(c5)C)C(C)C)N;CC(C)n1nc(c2cc(C)c3nc(OCc4ccccc4)ccc3c2)c5c(N)ncnc15;Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N","InChI=1S/C25H24N6O/c1-15(2)31-25-21(24(26)27-14-28-25)23(30-31)19-11-16(3)22-18(12-19)9-10-20(29-22)32-13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,28)","","2013-10-18","2014-04-11","3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-04-16"],["LC3","7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid","C28 H22 N2 O5","O=C(O)c5ccc(c1cccc2c(c(nn12)C(=O)O)CCCOc4c3ccccc3ccc4)cc5;OC(=O)c1ccc(cc1)c2cccc3n2nc(C(O)=O)c3CCCOc4cccc5ccccc45;c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O","InChI=1S/C28H22N2O5/c31-27(32)20-15-13-19(14-16-20)23-10-4-11-24-22(26(28(33)34)29-30(23)24)9-5-17-35-25-12-3-7-18-6-1-2-8-21(18)25/h1-4,6-8,10-16H,5,9,17H2,(H,31,32)(H,33,34)","","2013-10-04","2013-11-22","7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid","2013-11-27"],["9NM","(2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide","C22 H29 F N2 O2","C1CCCCC1N(C(=O)NC2CCCCC2)C(=O)C=Cc3ccc(F)cc3;Fc1ccc(cc1)C=CC(=O)N(C2CCCCC2)C(=O)NC3CCCCC3;c1cc(ccc1C=CC(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F","InChI=1S/C22H29FN2O2/c23-18-14-11-17(12-15-18)13-16-21(26)25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h11-16,19-20H,1-10H2,(H,24,27)/b16-13+","","2017-05-19","2017-06-30","(2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide","2017-07-05"],["LC4","12-(1H-imidazol-1-yl)dodecanoic acid","C15 H26 N2 O2","OC(=O)CCCCCCCCCCCn1ccnc1;c1cn(cn1)CCCCCCCCCCCC(=O)O","InChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19)","","2010-01-13","2011-06-04","12-imidazol-1-yldodecanoic acid",""],["9NN","4-(aminomethyl)pyridin-2-amine","C6 H9 N3","NCc1ccnc(N)c1;c1cnc(cc1CN)N","InChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)","","2021-11-19","2022-11-25","4-(aminomethyl)pyridin-2-amine","2022-11-30"],["LC5","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid","C18 H24 N O5 P","O=C(CC(CP(O)(O)=O)CCCc2c1ccccc1ccc2)N(O)C;CN(O)C(=O)C[CH](CCCc1cccc2ccccc12)C[P](O)(O)=O;CN(C(=O)CC(CCCc1cccc2c1cccc2)CP(=O)(O)O)O","InChI=1S/C18H24NO5P/c1-19(21)18(20)12-14(13-25(22,23)24)6-4-8-16-10-5-9-15-7-2-3-11-17(15)16/h2-3,5,7,9-11,14,21H,4,6,8,12-13H2,1H3,(H2,22,23,24)/t14-/m1/s1","","2016-04-13","2016-08-18","[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid","2016-08-23"],["9NO","3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid","C9 H8 F2 O4","O=C(O)C(C(c1ccccc1)(F)F)(O)O;OC(=O)C(O)(O)C(F)(F)c1ccccc1;c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F","InChI=1S/C9H8F2O4/c10-8(11,9(14,15)7(12)13)6-4-2-1-3-5-6/h1-5,14-15H,(H,12,13)","","2018-06-11","2019-06-14","3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid","2019-06-19"],["LC6","7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid","C47 H46 N6 O8 S2","[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c7ccc(c3cccc4c(c(nn34)C(=O)O)CCCOc6c5ccccc5ccc6)c(c7)C;CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(c(C)c3)c4cccc5n4nc(C(O)=O)c5CCCOc6cccc7ccccc67;Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NC(CCN(C)C)CSc7ccccc7","InChI=1S/C47H46N6O8S2/c1-31-28-33(46(54)50-63(59,60)36-22-24-40(43(29-36)53(57)58)48-34(25-26-51(2)3)30-62-35-14-5-4-6-15-35)21-23-37(31)41-18-10-19-42-39(45(47(55)56)49-52(41)42)17-11-27-61-44-20-9-13-32-12-7-8-16-38(32)44/h4-10,12-16,18-24,28-29,34,48H,11,17,25-27,30H2,1-3H3,(H,50,54)(H,55,56)/t34-/m1/s1","","2013-10-10","2013-11-22","7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid","2013-11-27"],["9NP","(2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide","C28 H33 N7 O","n4c1c(cccc1)n(C(C(=O)NC2CCCCC2)C3CCCCC3)c4c6ccc(c5nnnn5)cc6;O=C(NC1CCCCC1)[CH](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5)c6[nH]nnn6;c1ccc2c(c1)nc(n2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6","InChI=1S/C28H33N7O/c36-28(29-22-11-5-2-6-12-22)25(19-9-3-1-4-10-19)35-24-14-8-7-13-23(24)30-27(35)21-17-15-20(16-18-21)26-31-33-34-32-26/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,36)(H,31,32,33,34)/t25-/m0/s1","","2017-05-19","2017-06-30","(2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide","2017-07-05"],["9NQ","Leniolisib","C21 H25 F3 N6 O2","CCC(=O)N1CC[CH](C1)Nc2ncnc3CCN(Cc23)c4cnc(OC)c(c4)C(F)(F)F;CCC(=O)N1CCC(C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F","InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1","","2017-06-12","2017-09-15","1-[(3~{S})-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one","2017-09-20"],["LC7","[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid","C14 H21 F N O5 P","O=C(CC(CP(O)(O)=O)CCCc1cc(ccc1)F)N(O)C;CN(O)C(=O)C[CH](CCCc1cccc(F)c1)C[P](O)(O)=O;CN(C(=O)CC(CCCc1cccc(c1)F)CP(=O)(O)O)O","InChI=1S/C14H21FNO5P/c1-16(18)14(17)9-12(10-22(19,20)21)6-2-4-11-5-3-7-13(15)8-11/h3,5,7-8,12,18H,2,4,6,9-10H2,1H3,(H2,19,20,21)/t12-/m1/s1","","2016-04-29","2016-08-18","[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid","2016-08-23"],["LC8","4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide","C11 H11 N3 O5 S","N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N+]([O-])=O;c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C11H11N3O5S/c12-20(17,18)9-3-4-10(11(6-9)14(15)16)13-7-8-2-1-5-19-8/h1-6,13H,7H2,(H2,12,17,18)","","2019-08-02","2020-08-21","4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide","2020-08-26"],["9NR","DANSYL-L-ARGININE","C18 H25 N5 O4 S","O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCCNC(=[N@H])N;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCCNC(N)=N)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)/t14-/m0/s1","","2010-10-28","2011-06-04","N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-arginine",""],["LC9","1H-indol-3-ylmethanamine","C9 H10 N2","NCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CN","InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2","","2022-06-29","2023-06-30","1~{H}-indol-3-ylmethanamine","2023-07-05"],["9NS","(2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C29 H30 N2 O8","O=C(NCc1occc1)c2ccccc2CN(Cc4ccc3OC(CCC(=O)O)COc3c4C(=O)O)C/C=C;OC(=O)CC[CH]1COc2c(O1)ccc(CN(CC=C)Cc3ccccc3C(=O)NCc4occc4)c2C(O)=O;C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C29H30N2O8/c1-2-13-31(16-19-6-3-4-8-23(19)28(34)30-15-21-7-5-14-37-21)17-20-9-11-24-27(26(20)29(35)36)38-18-22(39-24)10-12-25(32)33/h2-9,11,14,22H,1,10,12-13,15-18H2,(H,30,34)(H,32,33)(H,35,36)/t22-/m0/s1","","2013-11-11","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(furan-2-ylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["LCA","[(1R,3R,4R,7S)-7-HYDROXY-3-(ADENIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H14 N5 O7 P","O=P(O)(O)OCC43OC(n1cnc2c(ncnc12)N)C(OC3)C4O;Nc1ncnc2n(cnc12)[CH]3O[C]4(CO[CH]3[CH]4O)CO[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)(CO4)COP(=O)(O)O)O)N","InChI=1S/C11H14N5O7P/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(17)11(23-10,1-21-6)2-22-24(18,19)20/h3-4,6-7,10,17H,1-2H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,10-,11-/m1/s1","","2002-06-27","2011-06-04","9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine",""],["9NT","~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide","C14 H19 N2 O3","O=C(C[NH+]1CCCCC1)Nc2ccc3OCOc3c2;c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2","InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)/p+1","","2017-06-13","2018-02-09","~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide","2018-02-14"],["LCB","4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide","C13 H14 N6 O2 S","CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3nc[nH]c13;CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)","","2019-08-05","2020-06-12","4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide","2020-06-17"],["9NU","(2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide","C32 H40 N6 O5","CNC(=O)[CH]1C[CH](CN1C(=O)c2ccccc2)NC(=O)[CH](NC(=O)c3ccc(Cn4cccn4)cc3)[CH](C)OC(C)(C)C;CC(C(C(=O)NC1CC(N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C","InChI=1S/C32H40N6O5/c1-21(43-32(2,3)4)27(36-28(39)23-14-12-22(13-15-23)19-37-17-9-16-34-37)30(41)35-25-18-26(29(40)33-5)38(20-25)31(42)24-10-7-6-8-11-24/h6-17,21,25-27H,18-20H2,1-5H3,(H,33,40)(H,35,41)(H,36,39)/t21-,25+,26+,27+/m1/s1","","2016-03-22","2016-11-25","(2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide","2016-11-30"],["LCC","[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H16 N3 O8 P","O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O)C;CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)COP(=O)(O)O)O","InChI=1S/C11H16N3O8P/c1-5-2-14(10(16)13-8(5)12)9-6-7(15)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,15H,3-4H2,1H3,(H2,12,13,16)(H2,17,18,19)/t6-,7+,9-,11-/m1/s1","","2002-06-27","2011-06-04","4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methylpyrimidin-2(1H)-one",""],["9NV","DANSYL-L-NORVALINE","C17 H22 N2 O4 S","O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCC;CCC[CH](N[S](=O)(=O)c1cccc2c(cccc12)N(C)C)C(O)=O;CCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C","InChI=1S/C17H22N2O4S/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21)/t14-/m0/s1","","2010-10-28","2011-06-04","N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-norvaline",""],["LCD","{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid","C19 H16 O7","O=C(O)COc3ccc1c(O/C(C1=O)=Cc2ccc(OC)c(OC)c2)c3;COc1ccc(cc1OC)C=C2Oc3cc(OCC(O)=O)ccc3C2=O;COc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)O","InChI=1S/C19H16O7/c1-23-14-6-3-11(7-16(14)24-2)8-17-19(22)13-5-4-12(9-15(13)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-8-","","2013-10-03","2014-09-19","{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid","2014-09-24"],["9NW","2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide","C16 H21 Cl2 N5 O2 S","Clc1ccc(Cl)c(c1)[S](=O)(=O)NCc2n[nH]nc2CNC3CCCCC3;c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl","InChI=1S/C16H21Cl2N5O2S/c17-11-6-7-13(18)16(8-11)26(24,25)20-10-15-14(21-23-22-15)9-19-12-4-2-1-3-5-12/h6-8,12,19-20H,1-5,9-10H2,(H,21,22,23)","","2017-06-13","2020-07-17","2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide","2020-07-22"],["LCE","(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid","C8 H8 Cl2 O4 S","O=C(O)C1C2C(=O)C(Cl)(Cl)C2SC1OC;CO[CH]1S[CH]2[CH]([CH]1C(O)=O)C(=O)C2(Cl)Cl;COC1C(C2C(S1)C(C2=O)(Cl)Cl)C(=O)O","InChI=1S/C8H8Cl2O4S/c1-14-7-3(6(12)13)2-4(11)8(9,10)5(2)15-7/h2-3,5,7H,1H3,(H,12,13)/t2-,3-,5-,7-/m0/s1","(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid","2010-02-15","2024-09-27","(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid",""],["9NX","5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol","C17 H15 Br N4 O2 S","COc1cc(C=Nn2c(SC)nnc2c3ccccc3)c(Br)cc1O;COc1cc(c(cc1O)Br)C=Nn2c(nnc2SC)c3ccccc3","InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+","","2018-06-11","2019-03-01","5-bromanyl-2-methoxy-4-[(~{E})-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol","2019-03-06"],["LCF","[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID","C23 H22 Cl N O2","Clc4ccc(c1c(n3c(c1c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4;CC1(C)Cn2c(CC(O)=O)c(c3ccc(Cl)cc3)c(c4ccccc4)c2C1;CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C","InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)","LICOFELONE","2005-06-14","2020-06-17","[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid",""],["9NY","Hexacosanoyl-CoA","C47 H86 N7 O17 P3 S","CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1","C26:0 Coenzyme A","2023-04-14","2023-12-08","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexacosanethioate","2023-12-13"],["9O0","(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid","C3 H3 F3 O3","OC(=O)C(C(F)(F)F)O;O[CH](C(O)=O)C(F)(F)F;C(C(=O)O)(C(F)(F)F)O","InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1","","2018-06-11","2019-06-14","(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid","2019-06-19"],["LCG","[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H14 N5 O8 P","O=C2NC(=Nc1n(cnc12)C4OC3(C(O)C4OC3)COP(=O)(O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C]4(CO[CH]3[CH]4O)CO[P](O)(O)=O;c1nc2c(n1C3C4C(C(O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(24-9,1-22-5)2-23-25(19,20)21/h3,5-6,9,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1","","2002-06-27","2011-06-04","2-amino-9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-1,9-dihydro-6H-purin-6-one",""],["LCH","[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H16 N3 O8 P","O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O)C;CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)COP(=O)(O)O)O","InChI=1/C11H16N3O8P/c1-5-2-14(10(16)13-8(5)12)9-6-7(15)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,15H,3-4H2,1H3,(H2,12,13,16)(H2,17,18,19)/t6-,7+,9-,11-/m1/s1/f/h17-18H,12H2","","2004-09-16","2009-01-07","4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methylpyrimidin-2(1H)-one",""],["9O1","3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide","C25 H23 Cl N2 O2","c4c(c1noc(c1C(NC(c3cc2c(cccc2)cc3)C)=O)C(C)C)c(ccc4)Cl;CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[CH](C)c3ccc4ccccc4c3;CC(C)c1c(c(no1)c2ccccc2Cl)C(=O)NC(C)c3ccc4ccccc4c3","InChI=1S/C25H23ClN2O2/c1-15(2)24-22(23(28-30-24)20-10-6-7-11-21(20)26)25(29)27-16(3)18-13-12-17-8-4-5-9-19(17)14-18/h4-16H,1-3H3,(H,27,29)/t16-/m1/s1","","2017-05-19","2017-06-30","3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide","2017-07-05"],["LCI","[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium","C18 H26 F N6","Cn1ncc(c1CC2CC2)c3nc(N[CH]4CC[CH]([NH3+])CC4)ncc3F;Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4","InChI=1S/C18H25FN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)/p+1/t12-,13-","","2018-07-04","2018-08-24","[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium","2018-08-29"],["9O2","~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide","C25 H25 N5 O","CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2;CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N","InChI=1S/C25H25N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14,26H2,1H3,(H,28,31)(H,27,29,30)","","2017-06-15","2024-09-27","~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide","2017-09-06"],["LCJ","5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide","C16 H14 F I N4 O3","c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I;OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO","InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)","","2019-02-19","2019-10-04","5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide","2019-10-09"],["9O3","3,3,3-trifluoro-2,2-dihydroxypropanoic acid","C3 H3 F3 O4","C(C(C(O)=O)(O)O)(F)(F)F;OC(=O)C(O)(O)C(F)(F)F;C(=O)(C(C(F)(F)F)(O)O)O","InChI=1S/C3H3F3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)","","2018-06-12","2019-06-14","3,3,3-trifluoro-2,2-dihydroxypropanoic acid","2019-06-19"],["LCK","(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine","C10 H18 N2 O4","O=C(O)CC(=N/CCCCC(N)C(=O)O)C;CC(CC(O)=O)=NCCCC[CH](N)C(O)=O;CC(=NCCCCC(C(=O)O)N)CC(=O)O","InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1","","2008-02-15","2024-09-27","(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine",""],["9O4","(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate","C9 H12 N5 O5 P","c3nc1c(ncn1C2CC(OP(O)(=O)O)CO2)c(N)n3;Nc1ncnc2n(cnc12)[CH]3C[CH](CO3)O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3CC(CO3)OP(=O)(O)O)N","InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-18-6)19-20(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6-/m1/s1","","2017-05-19","2017-12-01","(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate","2017-12-06"],["LCL","2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide","C11 H12 Cl2 N2 O5","O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO;OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]","InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1","L-Chloramphenicol","2012-08-16","2021-03-01","2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide","2013-05-08"],["9O5","4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one","C26 H26 N4 O","CC(=O)CCc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2;CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N","InChI=1S/C26H26N4O/c1-18(31)10-11-20-8-5-9-21(16-20)25-29-24-17-22(27)12-13-23(24)26(30-25)28-15-14-19-6-3-2-4-7-19/h2-9,12-13,16-17H,10-11,14-15,27H2,1H3,(H,28,29,30)","","2017-06-15","2024-09-27","4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one","2017-09-06"],["LCM","N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)","C18 H20 N2 O6","O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O;Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O","InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)","4-LICAM","2013-01-22","2021-03-01","N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)","2013-04-03"],["9O6","(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid","C9 H9 F O3","c1cccc(c1)C(C(O)C(=O)O)F;O[CH]([CH](F)c1ccccc1)C(O)=O;c1ccc(cc1)C(C(C(=O)O)O)F","InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1","","2018-06-12","2019-06-14","(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid","2019-06-19"],["LCN","1,5-anhydro-D-arabino-hex-1-enitol","C6 H10 O5","OC[CH]1OC=C(O)[CH](O)[CH]1O;C1=C(C(C(C(O1)CO)O)O)O","InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m1/s1","","2011-05-26","2020-07-17","(2~{R},3~{S},4~{S})-2-(hydroxymethyl)-3,4-dihydro-2~{H}-pyran-3,4,5-triol",""],["9O7","[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate","C9 H14 N5 O12 P3","Nc1ncnc2n(cnc12)[CH]3OC[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C9H14N5O12P3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(15)4(1-23-9)24-28(19,20)26-29(21,22)25-27(16,17)18/h2-4,6,9,15H,1H2,(H,19,20)(H,21,22)(H2,10,11,12)(H2,16,17,18)/t4-,6+,9+/m0/s1","","2017-05-19","2017-12-01","[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate","2017-12-06"],["LCO","CHLORATE ION","Cl O3","[O-]Cl(=O)=O;[O-][Cl](=O)=O;[O-]Cl(=O)=O","InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1","","2001-06-20","2023-09-23","chlorate",""],["9O8","[5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate","C12 H14 N4 O4 S","CC(=O)OCc1n[nH]nc1CN[S](=O)(=O)c2ccccc2;CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2","InChI=1S/C12H14N4O4S/c1-9(17)20-8-12-11(14-16-15-12)7-13-21(18,19)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15,16)","","2017-06-15","2020-08-28","[5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate","2020-09-02"],["LCP","PERCHLORATE ION","Cl O4","[O-]Cl(=O)(=O)=O;[O-][Cl](=O)(=O)=O;[O-]Cl(=O)(=O)=O","InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1","","2001-07-30","2023-09-23","perchlorate",""],["9O9","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol","C18 H22 N3 O9 P","C3(=O)C2=Cc1c(cc(c(C)c1)C)N(C2=NC(N3)=O)CC(C(C(O)COP(O)(O)=O)O)O;Cc1cc2C=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C18H22N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-5,13-15,22-24H,6-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t13-,14+,15-/m0/s1","","2018-06-12","2019-06-19","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol","2019-05-29"],["LCQ","2-phenylazanyl-9~{H}-purine-6-carbonitrile","C12 H8 N6","N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13;c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N","InChI=1S/C12H8N6/c13-6-9-10-11(15-7-14-10)18-12(17-9)16-8-4-2-1-3-5-8/h1-5,7H,(H2,14,15,16,17,18)","","2019-08-05","2020-06-12","2-phenylazanyl-9~{H}-purine-6-carbonitrile","2020-06-17"],["9OB","~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide","C17 H19 N5 O2 S","O=[S](=O)(NCc1nn[nH]c1CNCc2ccccc2)c3ccccc3;c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3","InChI=1S/C17H19N5O2S/c23-25(24,15-9-5-2-6-10-15)19-13-17-16(20-22-21-17)12-18-11-14-7-3-1-4-8-14/h1-10,18-19H,11-13H2,(H,20,21,22)","","2017-06-15","2020-08-28","~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide","2020-09-02"],["9OC","1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","C25 H29 N4 O10 P","C2(C=3N(c1cc(C)c(C)cc1N(C=3NC(N2)=O)CC(C(C(COP(O)(O)=O)O)O)O)C(Cc4ccccc4)=O)=O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N(C(=O)Cc4ccccc4)c2cc1C)C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4","InChI=1S/C25H29N4O10P/c1-13-8-16-17(9-14(13)2)29(20(32)10-15-6-4-3-5-7-15)21-23(26-25(35)27-24(21)34)28(16)11-18(30)22(33)19(31)12-39-40(36,37)38/h3-9,18-19,22,30-31,33H,10-12H2,1-2H3,(H2,36,37,38)(H2,26,27,34,35)/t18-,19+,22-/m0/s1","","2018-06-13","2019-06-14","1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","2019-06-19"],["LCR","(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid","C21 H25 Cl N2 O3","O=C(O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3;OC(=O)COCCN1CCN(CC1)[CH](c2ccccc2)c3ccc(Cl)cc3;c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O","InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1","R-levocetirizine","2015-09-16","2020-06-17","(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid","2015-12-23"],["9OD","(2Z)-9-oxodec-2-enoic acid","C10 H16 O3","O=C(C)CCCCC/C=CC(=O)O;CC(=O)CCCCCC=CC(O)=O;CC(=O)CCCCCC=CC(=O)O","InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-","9-keto-2(E)-decenoic acid","2007-11-27","2020-06-17","(2Z)-9-oxodec-2-enoic acid",""],["LCS","[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate","C11 H14 N3 O7 P","O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2;Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O","InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+","","1999-11-17","2011-07-21","[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate",""],["LCT","N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide","C10 H8 N4 O3 S","O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C;CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O;CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]","InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)","","2013-07-24","2020-02-14","N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide","2014-11-05"],["9OE","(5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one","C11 H10 N2 O3 S","COc1cc(ccc1O)C=C2SC(=O)N=C2N;COc1cc(ccc1O)C=C2C(=NC(=O)S2)N","InChI=1S/C11H10N2O3S/c1-16-8-4-6(2-3-7(8)14)5-9-10(12)13-11(15)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5-","","2017-06-16","2018-06-22","(5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one","2018-06-27"],["LCU","2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide","C14 H18 N2 O","O=C(Nc1cnccc1C)CC1CC2CC2C1;Cc1ccncc1NC(=O)CC2C[CH]3C[CH]3C2;Cc1ccncc1NC(=O)CC2CC3CC3C2","InChI=1S/C14H18N2O/c1-9-2-3-15-8-13(9)16-14(17)6-10-4-11-7-12(11)5-10/h2-3,8,10-12H,4-7H2,1H3,(H,16,17)/t10-,11+,12-","","2023-08-15","2023-11-03","2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["9OF","8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine","C15 H17 N3 O","c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N;COc1ccc2c(CC(C)(C)c3c(N)ncnc23)c1;CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C","InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)","","2018-06-14","2018-09-28","8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine","2018-10-03"],["LCV","(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid","C24 H40 N7 O21 P3 S","c3nc2n(C1OC(COP(OP(OCC(C(C(NCCC(NCCOC(C(S(=O)(=O)O)C)=O)=O)=O)O)(C)C)(O)=O)(=O)O)C(C1O)OP(O)(=O)O)cnc2c(N)n3;C[CH](C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[S](O)(=O)=O;CC(C(=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O","InChI=1S/C24H40N7O21P3S/c1-12(56(44,45)46)23(36)47-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-49-55(42,43)52-54(40,41)48-8-13-17(51-53(37,38)39)16(33)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1","","2019-02-21","2019-04-05","(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)","2019-04-10"],["9OG","4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile","C20 H20 N4","C(Cc1ccc(C#N)cc1)NCc2ccc3c(c2)nc(N)cc3C;Cc1cc(N)nc2cc(CNCCc3ccc(cc3)C#N)ccc12;Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N","InChI=1S/C20H20N4/c1-14-10-20(22)24-19-11-17(6-7-18(14)19)13-23-9-8-15-2-4-16(12-21)5-3-15/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)","","2017-05-23","2017-08-11","4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile","2017-08-16"],["LCW","2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide","C15 H14 N6 O","NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1;C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N","InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21)","","2019-08-05","2024-09-27","2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide","2020-06-17"],["9OH","(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-OCTADECENOIC ACID","C18 H32 O4","O=C(O)CCCCCCCC(O)/C=C/C1OC1CCCCC;CCCCC[CH]1O[CH]1C=C[CH](O)CCCCCCCC(O)=O;CCCCCC1C(O1)C=CC(CCCCCCCC(=O)O)O","InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16+,17+/m0/s1","","2001-05-07","2011-06-04","(9S,10E)-9-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-10-enoic acid",""],["9OI","1,3-oxazol-4-ylmethanamine","C4 H6 N2 O","NCc1cocn1;c1c(nco1)CN","InChI=1S/C4H6N2O/c5-1-4-2-7-3-6-4/h2-3H,1,5H2","","2021-11-19","2022-11-25","1,3-oxazol-4-ylmethanamine","2022-11-30"],["LCX","CARBOXYLATED LYSINE","C7 H16 N2 O3","O=C(O)NCCCCC(N)CO;N[CH](CO)CCCCNC(O)=O;C(CCNC(=O)O)CC(CO)N","InChI=1/C7H16N2O3/c8-6(5-10)3-1-2-4-9-7(11)12/h6,9-10H,1-5,8H2,(H,11,12)/t6-/m0/s1/f/h11H","(5R)-5-AMINO-6-HYDROXYHEXYLCARBAMIC ACID","2003-04-30","2009-04-22","[(5S)-5-amino-6-hydroxyhexyl]carbamic acid",""],["LCY","1-methylpyrrolidine-2,5-dione","C5 H7 N O2","O=C1N(C(=O)CC1)C;CN1C(=O)CCC1=O;CN1C(=O)CCC1=O","InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3","","2009-05-22","2024-09-27","1-methylpyrrolidine-2,5-dione",""],["9OJ","4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile","C21 H22 N4","N#Cc1c(C)cc(cc1)CCNCc2cc3c(cc2)c(cc(n3)N)C;Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N;Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C","InChI=1S/C21H22N4/c1-14-9-16(3-5-18(14)12-22)7-8-24-13-17-4-6-19-15(2)10-21(23)25-20(19)11-17/h3-6,9-11,24H,7-8,13H2,1-2H3,(H2,23,25)","","2017-05-23","2017-08-11","4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile","2017-08-16"],["LCZ","(2S)-2-amino-4-methylpentanal","C6 H13 N O","O=CC(N)CC(C)C;CC(C)C[CH](N)C=O;CC(C)CC(C=O)N","InChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h4-6H,3,7H2,1-2H3/t6-/m0/s1","","2012-02-09","2012-08-31","(2S)-2-amino-4-methylpentanal","2012-08-31"],["9OK","2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside","C14 H20 O8","OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O;c1cc(c(cc1CCOC2(C(C(C(O2)CO)O)O)CO)O)O","InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1","fructosyl-hydroxytyrosol; 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructoside; 2-(3,4-dihydroxyphenyl)ethyl D-fructoside;\n2-(3,4-dihydroxyphenyl)ethyl fructoside","2017-06-19","2020-07-17","(2~{R},3~{S},4~{S},5~{R})-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol","2018-11-28"],["LD0","(2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid","C14 H19 N5 O5 S3","SCC1CSC(NC1C(=O)O)C(C=O)NC(=O)C(=NOC)/c1csc(N)n1;CON=C(C(=O)N[CH](C=O)[CH]1N[CH]([CH](CS)CS1)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(C(CS2)CS)C(=O)O","InChI=1S/C14H19N5O5S3/c1-24-19-10(8-5-27-14(15)17-8)11(21)16-7(2-20)12-18-9(13(22)23)6(3-25)4-26-12/h2,5-7,9,12,18,25H,3-4H2,1H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t6-,7-,9+,12-/m1/s1","","2022-03-01","2024-09-27","(2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid","2022-05-25"],["9OL","5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine","C21 H26 N4","c14c(ccc(c1)/C(=C)C2CCNCC2)c3c(c(ncn3)N)C(C4)(C)C;CC1(C)Cc2cc(ccc2c3ncnc(N)c13)C(=C)C4CCNCC4;CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C","InChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25)","","2018-06-14","2018-09-28","5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine","2018-10-03"],["LD1","6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one","C18 H13 N5 O2 S","O=C1Nc5c(OC1)ccc(C2=Nn4cnnc4SC2c3ccccc3)c5;O=C1COc2ccc(cc2N1)C3=Nn4cnnc4S[CH]3c5ccccc5;c1ccc(cc1)C2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5","InChI=1S/C18H13N5O2S/c24-15-9-25-14-7-6-12(8-13(14)20-15)16-17(11-4-2-1-3-5-11)26-18-21-19-10-23(18)22-16/h1-8,10,17H,9H2,(H,20,24)/t17-/m0/s1","","2011-09-27","2011-12-23","6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one",""],["9OM","7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine","C19 H22 N4","Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3;Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2;Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N","InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)","","2017-05-23","2017-08-11","7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine","2017-08-16"],["LD2","6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one","C18 H15 N5 O2 S","O=C1Nc4c(OC1)ccc(C(=Nn2cnnc2S)Cc3ccccc3)c4;Sc1nncn1N=C(Cc2ccccc2)c3ccc4OCC(=O)Nc4c3;c1ccc(cc1)CC(=Nn2cnnc2S)c3ccc4c(c3)NC(=O)CO4","InChI=1S/C18H15N5O2S/c24-17-10-25-16-7-6-13(9-15(16)20-17)14(8-12-4-2-1-3-5-12)22-23-11-19-21-18(23)26/h1-7,9,11H,8,10H2,(H,20,24)(H,21,26)/b22-14+","6-[(1E)-N-(3-mercapto-4H-1,2,4-triazolo-4-yl)-2-phenylethanimidoyl]-2H-1,4-benzooxazin-3(4H)-one","2011-09-27","2021-03-13","6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one",""],["9ON","(2~{S})-2-methylpentanedioic acid","C6 H10 O4","C[CH](CCC(O)=O)C(O)=O;CC(CCC(=O)O)C(=O)O","InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1","","2017-06-19","2017-10-06","(2~{S})-2-methylpentanedioic acid","2017-10-11"],["9OO","(1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine","C28 H31 F N10","CCN[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6;CCNC(C)(c1ccc(cc1)F)c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C","InChI=1S/C28H31FN10/c1-4-33-28(2,22-5-7-24(29)8-6-22)23-15-30-27(31-16-23)38-11-9-37(10-12-38)26-25-13-20(18-39(25)35-19-32-26)21-14-34-36(3)17-21/h5-8,13-19,33H,4,9-12H2,1-3H3/t28-/m0/s1","","2023-07-14","2023-12-22","(1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine","2023-12-27"],["LD3","meta-carboran-propylsulfonamid","C5 H8 B10 N O2 S","N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19;B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CCCS(=O)(=O)N","InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-6-4-7(5,6)9(4)10(4)8(4,6)11(5,6)13(5)12(5,7,9)15(9,10,13)14(8,10,11)13/h1-3H2,(H2,16,17,18)","","2022-06-30","2023-05-05","","2023-05-10"],["LD4","N-cycloheptylpyrimidin-2-amine","C11 H17 N3","n1c(nccc1)NC2CCCCCC2;C1CCCC(CC1)Nc2ncccn2;c1cnc(nc1)NC2CCCCCC2","InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)","","2019-02-22","2019-05-03","N-cycloheptylpyrimidin-2-amine","2019-05-08"],["9OQ","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","C49 H55 F N8 O16","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)c3ccc(CNC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)c4ccc(F)nc4)cc3)C(O)=O)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)c4ccc(nc4)F","InChI=1S/C49H55FN8O16/c50-38-18-14-32(26-52-38)43(66)54-34(16-20-40(61)62)46(69)55-33(15-19-39(59)60)44(67)53-25-27-8-12-30(13-9-27)42(65)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(68)51-22-4-3-7-35(47(70)71)57-49(74)58-36(48(72)73)17-21-41(63)64/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,57,58,74)/t33-,34-,35+,36+,37+/m1/s1","","2017-06-19","2018-06-08","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","2018-06-13"],["LD5","4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide","C13 H12 N6 O2 S","N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1;C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19)","","2019-08-05","2024-09-27","4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide","2020-06-17"],["9OR","3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid","C20 H25 N4 O12 P","O=P(O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2N(c2cc(C)c(C)cc21)C(=O)CC(=O)O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N(C(=O)CC(O)=O)c2cc1C)C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O","InChI=1S/C20H25N4O12P/c1-8-3-10-11(4-9(8)2)24(14(27)5-15(28)29)16-18(21-20(32)22-19(16)31)23(10)6-12(25)17(30)13(26)7-36-37(33,34)35/h3-4,12-13,17,25-26,30H,5-7H2,1-2H3,(H,28,29)(H2,33,34,35)(H2,21,22,31,32)/t12-,13+,17-/m0/s1","","2018-06-15","2024-05-08","1-[5-(carboxyacetyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol","2019-06-19"],["9OS","7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine","C19 H22 N4 O","c13c(ccc(N)n1)ccc(CNCCCc2cnccc2OC)c3;COc1ccncc1CCCNCc2ccc3ccc(N)nc3c2;COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N","InChI=1S/C19H22N4O/c1-24-18-8-10-22-13-16(18)3-2-9-21-12-14-4-5-15-6-7-19(20)23-17(15)11-14/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)","","2017-05-23","2017-08-11","7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine","2017-08-16"],["LD6","N-(6-Amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide","C18 H17 F N4 O4 S","CN(C1=C(N)N(Cc2cccc(F)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3","InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-8-3-2-4-9-14)15-16(20)23(18(25)21-17(15)24)11-12-6-5-7-13(19)10-12/h2-10H,11,20H2,1H3,(H,21,24,25)","","2016-03-07","2017-03-17","N-[6-azanyl-1-[(3-fluorophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide","2017-03-22"],["LD7","3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide","C12 H12 F N3 O2","n2oc(C(NCc1ccc(F)cc1)=O)nc2CC;CCc1noc(n1)C(=O)NCc2ccc(F)cc2;CCc1nc(on1)C(=O)NCc2ccc(cc2)F","InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)","","2019-02-22","2019-05-03","3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide","2019-05-08"],["9OT","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","C49 H55 F N8 O16","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)c3ccc(CNC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)c4ccc(F)nc4)cc3)C(O)=O)C(O)=O;c1ccc2cc(ccc2c1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)c4ccc(nc4)F","InChI=1S/C49H55FN8O16/c50-38-18-14-32(26-52-38)43(66)54-34(16-20-40(61)62)46(69)55-33(15-19-39(59)60)44(67)53-25-27-8-12-30(13-9-27)42(65)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(68)51-22-4-3-7-35(47(70)71)57-49(74)58-36(48(72)73)17-21-41(63)64/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,57,58,74)/t33-,34-,35-,36-,37-/m0/s1","","2017-06-19","2018-06-08","(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","2018-06-13"],["LD8","2,4-dimethoxypyrimidine","C6 H8 N2 O2","COc1ccnc(OC)n1;COc1ccnc(n1)OC","InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3","","2019-08-05","2020-01-31","2,4-dimethoxypyrimidine","2020-02-05"],["9OU","1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol","C24 H27 N4 O10 P","C1(C3=C(NC(N1)=O)N(c2c(cc(C)c(C)c2)N3C(=O)c4ccccc4)CC(C(C(COP(=O)(O)O)O)O)O)=O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N(C(=O)c4ccccc4)c2cc1C)C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4","InChI=1S/C24H27N4O10P/c1-12-8-15-16(9-13(12)2)28(23(33)14-6-4-3-5-7-14)19-21(25-24(34)26-22(19)32)27(15)10-17(29)20(31)18(30)11-38-39(35,36)37/h3-9,17-18,20,29-31H,10-11H2,1-2H3,(H2,35,36,37)(H2,25,26,32,34)/t17-,18+,20-/m0/s1","","2018-06-15","2019-06-14","1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol","2019-06-19"],["LD9","[6-(phenylamino)-1-benzofuran-3-yl]acetic acid","C16 H13 N O3","C(O)(Cc2coc3cc(Nc1ccccc1)ccc23)=O;OC(=O)Cc1coc2cc(Nc3ccccc3)ccc12;c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O","InChI=1S/C16H13NO3/c18-16(19)8-11-10-20-15-9-13(6-7-14(11)15)17-12-4-2-1-3-5-12/h1-7,9-10,17H,8H2,(H,18,19)","","2019-07-02","2019-11-01","[6-(phenylamino)-1-benzofuran-3-yl]acetic acid","2019-11-06"],["9OW","3-selanyl-L-alaninamide","C3 H8 N2 O Se","NC(=O)C(N)C[SeH];N[CH](C[SeH])C(N)=O;C(C(C(=O)N)N)[SeH]","InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1","","2021-10-21","2024-09-27","3-selanyl-L-alaninamide","2022-03-16"],["LDA","LAURYL DIMETHYLAMINE-N-OXIDE","C14 H31 N O","[O-][N+](CCCCCCCCCCCC)(C)C;CCCCCCCCCCCC[N+](C)(C)[O-];CCCCCCCCCCCC[N+](C)(C)[O-]","InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3","","1999-07-08","2011-06-04","dodecyl(dimethyl)amine oxide",""],["9OX","1,4-oxazepane","C5 H11 N O","C1CNCCOC1;C1CNCCOC1","InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2","","2021-11-19","2022-11-25","1,4-oxazepane","2022-11-30"],["LDB","4-Thiouracil","C4 H4 N2 O S","O=C1NC=CC(=S)N1;C1=CNC(=O)NC1=S","InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)","4-sulfanylidene-1~{H}-pyrimidin-2-one","2019-08-05","2021-03-01","4-sulfanylidene-1~{H}-pyrimidin-2-one","2020-02-05"],["9OZ","N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide","C26 H29 N3 O2","CC(c1cccc2ccccc21)N1CC2(CC(C2)C(=O)NCc2ccnc(OC)c2)C1;COc1cc(CNC(=O)C2CC3(C2)CN(C3)[CH](C)c4cccc5ccccc45)ccn1;CC(c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC","InChI=1S/C26H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)29-16-26(17-29)13-21(14-26)25(30)28-15-19-10-11-27-24(12-19)31-2/h3-12,18,21H,13-17H2,1-2H3,(H,28,30)/t18-/m1/s1","","2021-10-22","2022-02-25","N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide","2022-03-02"],["9P0","4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid","C30 H34 N4 O8 S","CN(C)C(=O)[CH]1CSCc2c(cccc2c3ccc(cc3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1;CC(=O)N1CCCC1C(=O)NC2COC(=O)c3cccc(c3CSCC(NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O","InChI=1S/C30H34N4O8S/c1-17(35)34-13-5-8-25(34)27(37)31-23-14-42-30(41)21-7-4-6-20(18-9-11-19(12-10-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4,6-7,9-12,23-25H,5,8,13-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1","","2021-11-19","2022-08-22","4-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid","2022-03-16"],["LDC","4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE","C9 H13 N3 O4","O=C1N=C(N)C=CN1C2OC(C(O)C2)CO;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2;C1C(C(OC1N2C=CC(=NC2=O)N)CO)O","InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1","L-2'-DEOXYCYTIDINE","2006-10-26","2020-06-17","4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one",""],["LDD","(azepan-1-yl)(4-methoxyphenyl)methanone","C14 H19 N O2","N1(CCCCCC1)C(c2ccc(cc2)OC)=O;COc1ccc(cc1)C(=O)N2CCCCCC2;COc1ccc(cc1)C(=O)N2CCCCCC2","InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3","","2019-02-22","2019-05-03","(azepan-1-yl)(4-methoxyphenyl)methanone","2019-05-08"],["9P1","7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine","C19 H22 N4","c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3;CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1;CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N","InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)","","2017-05-24","2017-08-11","7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine","2017-08-16"],["LDE","(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid","C11 H22 N O6 P","O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C;CC(C)C[CH](N)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O;CC(C)CC(N)P(=O)(CC(CCC(=O)O)C(=O)O)O","InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1","L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE","2011-05-18","2021-03-01","(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid",""],["9P2","1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine","C36 H35 N3 O4","CCCCn1c(CN(Cc2ccc3OCOc3c2)Cc4ccc5OCOc5c4)c(nc1c6ccccc6)c7ccccc7;CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7","InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3","","2017-06-19","2018-01-05","1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine","2018-01-10"],["LDG","2'-deoxy-N-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate)","C27 H26 N5 O11 P","O=C5c1c(cc(c(c1OC)CNC4=Nc3n(C2CC(C(COP(O)(=O)O)O2)O)cnc3C(N4)=O)OC)C(=O)c6c5cccc6;COc1cc2C(=O)c3ccccc3C(=O)c2c(OC)c1CNC4=Nc5n(cnc5C(=O)N4)[CH]6C[CH](O)[CH](CO[P](O)(O)=O)O6;COc1cc2c(c(c1CNC3=Nc4c(ncn4C5CC(C(O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O","InChI=1S/C27H26N5O11P/c1-40-17-7-14-20(23(35)13-6-4-3-5-12(13)22(14)34)24(41-2)15(17)9-28-27-30-25-21(26(36)31-27)29-11-32(25)19-8-16(33)18(43-19)10-42-44(37,38)39/h3-7,11,16,18-19,33H,8-10H2,1-2H3,(H2,37,38,39)(H2,28,30,31,36)/t16-,18+,19+/m0/s1","","2017-06-15","2017-10-13","2'-deoxy-N-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate)","2017-10-18"],["9P3","1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol","C19 H24 N4 O11 P","C2=4N(c1cc(C)c(C)cc1[N+]3(C2(O3)C(=O)NC(N=4)=O)C(C)=O)CC(C(C(O)COP(O)(O)=O)O)O;CC(=O)[N+]12O[C]13C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c4cc(C)c(C)cc24;Cc1cc2c(cc1C)[N+]3(C4(O3)C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)O)O)O)O)C(=O)C","InChI=1S/C19H23N4O11P/c1-8-4-11-12(5-9(8)2)23(10(3)24)19(34-23)16(20-18(29)21-17(19)28)22(11)6-13(25)15(27)14(26)7-33-35(30,31)32/h4-5,13-15,25-27H,6-7H2,1-3H3,(H2-,21,28,29,30,31,32)/p+1/t13-,14+,15-,19+,23+/m0/s1","","2018-06-15","2019-06-14","1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol","2019-06-19"],["LDH","N~6~-ETHYL-L-LYSINE","C8 H18 N2 O2","O=C(O)C(N)CCCCNCC;CCNCCCC[CH](N)C(O)=O;CCNCCCCC(C(=O)O)N","InChI=1S/C8H18N2O2/c1-2-10-6-4-3-5-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-/m0/s1","","2007-07-09","2024-09-27","N~6~-ethyl-L-lysine",""],["9P4","7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine","C18 H19 F N4","Fc1cncc(c1)CCCNCc2cc3nc(ccc3cc2)N;Nc1ccc2ccc(CNCCCc3cncc(F)c3)cc2n1;c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F","InChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23)","","2017-05-24","2017-08-11","7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine","2017-08-16"],["LDI","1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide","C15 H23 N3 O2","ONC(=O)C1CCN(CCNCc2ccccc2)CC1;ONC(=O)C1CCN(CCNCc2ccccc2)CC1;c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO","InChI=1S/C15H23N3O2/c19-15(17-20)14-6-9-18(10-7-14)11-8-16-12-13-4-2-1-3-5-13/h1-5,14,16,20H,6-12H2,(H,17,19)","","2022-03-02","2023-01-06","1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide","2023-01-11"],["9P5","(1R,3R)-2-[(S)-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol","C19 H27 Cl O8 S","C[S](=O)(=O)c1ccc([CH](O)C2[CH](O)CCC[CH]2O)c(Cl)c1OCCC3OCCO3;CS(=O)(=O)c1ccc(c(c1OCCC2OCCO2)Cl)C(C3C(CCCC3O)O)O","InChI=1S/C19H27ClO8S/c1-29(24,25)14-6-5-11(18(23)16-12(21)3-2-4-13(16)22)17(20)19(14)28-8-7-15-26-9-10-27-15/h5-6,12-13,15-16,18,21-23H,2-4,7-10H2,1H3/t12-,13-,18-/m1/s1","","2022-03-11","2022-05-27","(1~{R},3~{R})-2-[(~{S})-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol","2022-06-01"],["LDJ","2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide","C10 H15 N3 O2 S","N(/C(C(C)C)=O)=C2NN=C(C1OCCC1)S2;CC(C)C(=O)N=C1NN=C(S1)[CH]2CCCO2;CC(C)C(=O)N=C1NN=C(S1)C2CCCO2","InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1","","2019-02-22","2019-05-03","2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide","2019-05-08"],["9P6","2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide","C25 H32 N4 O3 S","COc1ccc(cc1)c2n(ncc2c3scc(CC(=O)NCC4CCOCC4)n3)C(C)(C)C;CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC","InChI=1S/C25H32N4O3S/c1-25(2,3)29-23(18-5-7-20(31-4)8-6-18)21(15-27-29)24-28-19(16-33-24)13-22(30)26-14-17-9-11-32-12-10-17/h5-8,15-17H,9-14H2,1-4H3,(H,26,30)","","2018-06-17","2018-12-07","2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide","2018-12-12"],["LDK","(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid","C10 H16 N2 O10 S","OC(=O)CC[CH](N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NS(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1","","2019-08-05","2020-08-21","(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid","2020-08-26"],["9P7","4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile","C20 H20 N4","c31nc(ccc1ccc(CNCCc2cc(c(C#N)cc2)C)c3)N;Cc1cc(CCNCc2ccc3ccc(N)nc3c2)ccc1C#N;Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N","InChI=1S/C20H20N4/c1-14-10-15(2-5-18(14)12-21)8-9-23-13-16-3-4-17-6-7-20(22)24-19(17)11-16/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)","","2017-05-24","2017-08-11","4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile","2017-08-16"],["LDL","4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide","C19 H20 N8 O","NNC(=O)c1ccc(Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)cc1;c1cc(ccc1Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)C(=O)NN","InChI=1S/C19H20N8O/c20-24-18(28)15-3-1-13(2-4-15)11-27-12-17(25-26-27)14-5-7-16(8-6-14)23-19-21-9-10-22-19/h1-8,12H,9-11,20H2,(H,24,28)(H2,21,22,23)","","2022-07-01","2023-01-20","4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide","2023-01-25"],["9P8","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","C27 H40 N4 O16","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5ccccn5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1ccnc(c1)COCc2cn(nn2)C3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O","InChI=1S/C27H40N4O16/c32-6-13-16(35)19(38)20(39)26(44-13)47-24-18(37)15(8-34)45-27(22(24)41)46-23-17(36)14(7-33)43-25(21(23)40)31-5-12(29-30-31)10-42-9-11-3-1-2-4-28-11/h1-5,13-27,32-41H,6-10H2/t13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23+,24+,25-,26+,27+/m1/s1","","2017-06-20","2018-04-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","2018-05-02"],["LDM","3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE","C17 H36 N2 O2","[O-][N+](C)(CCCNC(=O)CCCCCCCCCCC)C;CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-];CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]","InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)","[3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM","2003-07-21","2020-06-17","N-[3-(dimethylnitroryl)propyl]dodecanamide",""],["9P9","1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol","C22 H28 F N4 O13 P","OP(=O)(O)OCC(O)C(C(CN2c1cc(C)c(C)cc1N(C(=O)CC(C(O)=O)(O)CF)C3=C2NC(NC3=O)=O)O)O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N(C(=O)C[C](O)(CF)C(O)=O)c2cc1C)C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(CF)(C(=O)O)O","InChI=1S/C22H28FN4O13P/c1-9-3-11-12(4-10(9)2)27(15(30)5-22(36,8-23)20(33)34)16-18(24-21(35)25-19(16)32)26(11)6-13(28)17(31)14(29)7-40-41(37,38)39/h3-4,13-14,17,28-29,31,36H,5-8H2,1-2H3,(H,33,34)(H2,37,38,39)(H2,24,25,32,35)/t13-,14+,17-,22+/m0/s1","","2018-06-20","2019-06-14","1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol","2019-06-19"],["LDN","4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline","C25 H22 N6","n1cc(cn2ncc(c12)c3c4ccccc4ncc3)c6ccc(N5CCNCC5)cc6;C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccnc6ccccc56;c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6","InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2","","2010-04-02","2011-06-04","4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline",""],["9PA","5-[(2S)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid","C20 H30 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)CCCCN;CC(C)C[CH](CNC(=O)CCCCN)Cc1ccc2OCOc2c1C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN","InChI=1S/C20H30N2O5/c1-13(2)9-14(11-22-17(23)5-3-4-8-21)10-15-6-7-16-19(27-12-26-16)18(15)20(24)25/h6-7,13-14H,3-5,8-12,21H2,1-2H3,(H,22,23)(H,24,25)/t14-/m0/s1","","2013-12-23","2014-01-03","5-[(2S)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["LDO","6-HYDROXY-L-NORLEUCINE","C6 H13 N O3","O=C(O)C(N)CCCCO;N[CH](CCCCO)C(O)=O;C(CCO)CC(C(=O)O)N","InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1","","2001-09-11","2024-09-27","6-hydroxy-L-norleucine",""],["9PB","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","C32 H43 N3 O16","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5ccc6ccccc6c5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)COCc3cn(nn3)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O","InChI=1S/C32H43N3O16/c36-9-18-21(39)24(42)25(43)31(48-18)51-29-23(41)20(11-38)49-32(27(29)45)50-28-22(40)19(10-37)47-30(26(28)44)35-8-17(33-34-35)13-46-12-14-5-6-15-3-1-2-4-16(15)7-14/h1-8,18-32,36-45H,9-13H2/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+/m1/s1","","2017-06-20","2018-04-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","2018-05-02"],["9PC","3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide","C14 H8 Cl F2 N3 O2 S","Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N;NC(=O)c1c(F)ccc(OCc2sc3ncc(Cl)cc3n2)c1F;c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F","InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)","PC190723","2012-01-27","2021-03-01","3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide",""],["LDP","L-DOPAMINE","C8 H11 N O2","Oc1ccc(cc1O)CCN;NCCc1ccc(O)c(O)c1;c1cc(c(cc1CCN)O)O","InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2","DOPAMINE","1999-07-08","2020-06-17","4-(2-aminoethyl)benzene-1,2-diol",""],["LDQ","Hosieine","C15 H20 N2 O","C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13;CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3","InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1","","2019-08-05","2020-08-21","","2020-08-26"],["9PD","Dodecyldimethylphosphine oxide","C14 H31 O P","CCCCCCCCCCCCP(=O)(C)C;CCCCCCCCCCCC[P](C)(C)=O;CCCCCCCCCCCCP(=O)(C)C","InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3","APO-12","2020-04-16","2021-03-01","dodecyl(dimethyl)oxo-lambda~5~-phosphane","2020-10-28"],["LDR","phenanthridin-6(5H)-one","C13 H9 N O","O=C2c3c(c1c(cccc1)N2)cccc3;O=C1Nc2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3NC2=O","InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)","","2011-06-14","2011-07-01","phenanthridin-6(5H)-one",""],["9PE","(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate","C30 H60 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCC;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)OCCN","InChI=1S/C30H60NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1","3-SN-PHOSPHATIDYLETHANOLAMINE","2008-04-28","2021-03-01","(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate",""],["LDS","N-(4-ethoxyphenyl)pyrazine-2-carboxamide","C13 H13 N3 O2","n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2;CCOc1ccc(NC(=O)c2cnccn2)cc1;CCOc1ccc(cc1)NC(=O)c2cnccn2","InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)","","2019-02-22","2019-05-03","N-(4-ethoxyphenyl)pyrazine-2-carboxamide","2019-05-08"],["9PF","1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol","C19 H26 F N4 O10 P","Cc1cc2c(cc1C)N(C(O)CF)C3=C(N2CC(C(O)C(COP(O)(O)=O)O)O)NC(NC3=O)=O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N([CH](O)CF)c2cc1C)C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(CF)O","InChI=1S/C19H26FN4O10P/c1-8-3-10-11(4-9(8)2)24(14(27)5-20)15-17(21-19(30)22-18(15)29)23(10)6-12(25)16(28)13(26)7-34-35(31,32)33/h3-4,12-14,16,25-28H,5-7H2,1-2H3,(H2,31,32,33)(H2,21,22,29,30)/t12-,13+,14-,16-/m0/s1","","2018-06-20","2019-06-14","1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol","2019-06-19"],["LDT","IDD594","C16 H12 Br F2 N O3 S","Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O;OC(=O)COc1cc(F)ccc1C(=S)NCc2ccc(Br)cc2F;c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br","InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)","[2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID","2003-11-16","2021-03-01","{2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid",""],["9PG","4-nitrophenyl alpha-D-galactopyranoside","C12 H15 N O8","C(C1OC(C(C(C1O)O)O)Oc2ccc([N+]([O-])=O)cc2)O;OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1","4-nitrophenyl alpha-D-galactoside; 4-nitrophenyl D-galactoside; 4-nitrophenyl galactoside","2015-05-22","2020-07-17","4-nitrophenyl alpha-D-galactopyranoside","2015-07-29"],["LDU","DIDEOXY-IMINO-LYXITOL","C5 H11 N O3","OC[CH]1NC[CH](O)[CH]1O;C1C(C(C(N1)CO)O)O","InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5+/m1/s1","","2015-03-17","2015-03-20","(2R,3S,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol","2015-03-25"],["9PH","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","C28 H41 N3 O16","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5ccccc5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)COCc2cn(nn2)C3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O","InChI=1S/C28H41N3O16/c32-7-14-17(35)20(38)21(39)27(44-14)47-25-19(37)16(9-34)45-28(23(25)41)46-24-18(36)15(8-33)43-26(22(24)40)31-6-13(29-30-31)11-42-10-12-4-2-1-3-5-12/h1-6,14-28,32-41H,7-11H2/t14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26-,27+,28+/m1/s1","","2017-06-20","2018-04-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","2018-05-02"],["LDV","3-[(4-methylpiperidin-1-yl)methyl]-1H-indole","C15 H20 N2","N1(CCC(CC1)C)Cc3c2c(cccc2)nc3;CC1CCN(CC1)Cc2c[nH]c3ccccc23;CC1CCN(CC1)Cc2c[nH]c3c2cccc3","InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3","","2019-02-22","2019-05-03","3-[(4-methylpiperidin-1-yl)methyl]-1H-indole","2019-05-08"],["9PI","bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate","H11 O28 P9","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H11O28P9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,1,2,3)(H2,4,5,6)","","2016-07-26","2017-10-06","bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate","2017-10-11"],["LDW","5-(4-fluoranylphenoxy)pyridin-2-amine","C11 H9 F N2 O","Nc1ccc(Oc2ccc(F)cc2)cn1;c1cc(ccc1Oc2ccc(nc2)N)F","InChI=1S/C11H9FN2O/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14)","","2019-08-08","2020-08-21","5-(4-fluoranylphenoxy)pyridin-2-amine","2020-08-26"],["9PJ","5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile","C22 H15 F7 N4 O3","FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F;CC1=NC(=O)C(=C[CH]1CN2C=NC(=C(Oc3cc(cc(C#N)c3C)C(F)F)C2=O)C(F)(F)C(F)F)F;Cc1c(cc(cc1OC2=C(N=CN(C2=O)CC3C=C(C(=O)N=C3C)F)C(C(F)F)(F)F)C(F)F)C#N","InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1","","2021-10-25","2022-11-18","5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile","2022-11-23"],["LDX","3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide","C15 H15 F N2 O","O=C(Nc1cnccc1C)CCc1ccccc1F;Cc1ccncc1NC(=O)CCc2ccccc2F;Cc1ccncc1NC(=O)CCc2ccccc2F","InChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(H,18,19)","","2023-08-15","2023-11-03","3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["9PK","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","C26 H39 N3 O16 S","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5sccc5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1cc(sc1)COCc2cn(nn2)C3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O","InChI=1S/C26H39N3O16S/c30-5-12-15(33)18(36)19(37)25(42-12)45-23-17(35)14(7-32)43-26(21(23)39)44-22-16(34)13(6-31)41-24(20(22)38)29-4-10(27-28-29)8-40-9-11-2-1-3-46-11/h1-4,12-26,30-39H,5-9H2/t12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22+,23+,24-,25+,26+/m1/s1","","2017-06-20","2018-04-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","2018-05-02"],["LDY","alpha-D-lyxopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5+/m1/s1","alpha-D-lyxose; D-lyxose; lyxose","2008-01-09","2020-07-17","alpha-D-lyxopyranose",""],["9PL","(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one","C11 H16 N2 O2","O=C2OCC(Cc1n(cnc1)C)C2CC;CC[CH]1[CH](COC1=O)Cc2cncn2C;CCC1C(COC1=O)Cc2cncn2C","InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1","PILOCARPINE","2011-07-26","2021-03-01","(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one",""],["LDZ","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide","C26 H41 N3 O5","O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)C=O;CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1","","2012-02-13","2012-08-31","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide","2012-08-31"],["9PM","4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile","C19 H17 Cl N4","N#Cc1ccc(cc1Cl)CCNCc2cc3c(cc2)ccc(N)n3;Nc1ccc2ccc(CNCCc3ccc(C#N)c(Cl)c3)cc2n1;c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N","InChI=1S/C19H17ClN4/c20-17-9-13(1-4-16(17)11-21)7-8-23-12-14-2-3-15-5-6-19(22)24-18(15)10-14/h1-6,9-10,23H,7-8,12H2,(H2,22,24)","","2017-05-24","2017-08-11","4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile","2017-08-16"],["9PN","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","C28 H43 N4 O15","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(CCC[n+]5ccccc5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1cc[n+](cc1)CCCc2cn(nn2)C3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O","InChI=1S/C28H43N4O15/c33-10-14-17(36)20(39)21(40)27(44-14)47-25-19(38)16(12-35)45-28(23(25)42)46-24-18(37)15(11-34)43-26(22(24)41)32-9-13(29-30-32)5-4-8-31-6-2-1-3-7-31/h1-3,6-7,9,14-28,33-42H,4-5,8,10-12H2/q+1/t14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26-,27+,28+/m1/s1","","2017-06-20","2018-04-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","2018-05-02"],["LE0","{[3-(trifluoromethyl)phenyl]methyl}propanedioic acid","C11 H9 F3 O4","FC(F)(F)c1cccc(CC(C(=O)O)C(=O)O)c1;OC(=O)C(Cc1cccc(c1)C(F)(F)F)C(O)=O;c1cc(cc(c1)C(F)(F)F)CC(C(=O)O)C(=O)O","InChI=1S/C11H9F3O4/c12-11(13,14)7-3-1-2-6(4-7)5-8(9(15)16)10(17)18/h1-4,8H,5H2,(H,15,16)(H,17,18)","","2022-03-03","2023-06-09","{[3-(trifluoromethyl)phenyl]methyl}propanedioic acid","2023-06-14"],["LE1","3-sulfanyl-L-valine","C5 H11 N O2 S","O=C(O)C(N)C(S)(C)C;CC(C)(S)[CH](N)C(O)=O;CC(C)(C(C(=O)O)N)S","InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1","L-LE1ICILLAMINE; L-Penicillamine","2009-05-15","2024-09-27","3-sulfanyl-L-valine",""],["9PO","PYRIDINE-N-OXIDE","C5 H5 N O","[O-][n+]1ccccc1;[O-][n+]1ccccc1;c1cc[n+](cc1)[O-]","InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H","","2011-03-16","2011-09-09","pyridine 1-oxide",""],["LE2","N-(2-phenylethyl)thioformamide","C9 H11 N S","S=CNCCc1ccccc1;S=CNCCc1ccccc1;c1ccc(cc1)CCNC=S","InChI=1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)","Phenylethyl isothiocyanate, bound form; N-(2-phenylethyl)thiocarbamyl group","2011-07-08","2024-09-27","N-(2-phenylethyl)thioformamide",""],["9PP","2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE","C9 H13 N6 O4 P","[O-]P([O-])(=O)COC(C)Cn1c2nc(nc(c2nc1)N)N;C[CH](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O;CC(Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-]","InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1","","2002-06-14","2011-06-04","{[(1S)-2-(2,6-diamino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonate",""],["LE3","N-{4-[(R)-methylsulfinyl]butyl}thioformamide","C6 H13 N O S2","O=S(CCCCNC=S)C;C[S](=O)CCCCNC=S;CS(=O)CCCCNC=S","InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1","L-Sulforaphane, bound form","2011-07-08","2024-09-27","N-{4-[(R)-methylsulfinyl]butyl}thioformamide","2012-09-28"],["9PQ","4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide","C24 H26 N2 O3","O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CO)cc4;OCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4;c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO","InChI=1S/C24H26N2O3/c27-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)25-11-12-26-13-15-29-16-14-26/h1-10,27H,11-17H2,(H,25,28)","","2012-03-29","2012-09-28","4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide","2012-09-28"],["LE4","[2-(cycloheptylamino)pyrimidin-4-yl]methanol","C12 H19 N3 O","n1c(nc(CO)cc1)NC2CCCCCC2;OCc1ccnc(NC2CCCCCC2)n1;c1cnc(nc1CO)NC2CCCCCC2","InChI=1S/C12H19N3O/c16-9-11-7-8-13-12(15-11)14-10-5-3-1-2-4-6-10/h7-8,10,16H,1-6,9H2,(H,13,14,15)","","2019-02-22","2019-05-03","[2-(cycloheptylamino)pyrimidin-4-yl]methanol","2019-05-08"],["9PR","N-methyl-L-prolinamide","C6 H12 N2 O","O=C(NC)C1NCCC1;CNC(=O)[CH]1CCCN1;CNC(=O)C1CCCN1","InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1","","2010-12-09","2026-03-07","N-methyl-L-prolinamide",""],["9PS","4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol","C18 H14 O2","Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O;c1ccc2cc(ccc2c1)C=Cc3ccc(c(c3)O)O","InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+","","2021-11-19","2022-11-18","4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol","2022-11-23"],["LE5","(8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C18 H14 Cl N5 O","Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N1)c1ccccc1;Clc1ccc(NCC2=CC(=O)n3nc(nc3N2)c4ccccc4)cc1;c1ccc(cc1)c2nc3n(n2)C(=O)C=C(N3)CNc4ccc(cc4)Cl","InChI=1S/C18H14ClN5O/c19-13-6-8-14(9-7-13)20-11-15-10-16(25)24-18(21-15)22-17(23-24)12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22,23)","","2023-05-05","2023-06-09","(8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2023-06-14"],["LE6","(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","C21 H25 Cl O6","CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1;CCOc1ccc(cc1)Cc2cc(ccc2Cl)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1","Dapagliflozin","2022-11-18","2023-11-10","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","2023-11-15"],["9PT","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","C32 H45 N4 O15","OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(CCC[n+]5cccc6ccccc56)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O","InChI=1S/C32H45N4O15/c37-12-18-21(40)24(43)25(44)31(48-18)51-29-23(42)20(14-39)49-32(27(29)46)50-28-22(41)19(13-38)47-30(26(28)45)36-11-16(33-34-36)7-4-10-35-9-3-6-15-5-1-2-8-17(15)35/h1-3,5-6,8-9,11,18-32,37-46H,4,7,10,12-14H2/q+1/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+/m1/s1","","2017-06-21","2018-04-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol","2018-05-02"],["LE7","N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide","C14 H16 F N3 O","n1c(cc(CCC)n1)C(NCc2ccc(cc2)F)=O;CCCc1cc([nH]n1)C(=O)NCc2ccc(F)cc2;CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F","InChI=1S/C14H16FN3O/c1-2-3-12-8-13(18-17-12)14(19)16-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,19)(H,17,18)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide","2019-05-08"],["9PV","(2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid","C11 H15 N2 O7 P S","Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CS)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CS)C(=O)O)O","InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2-3,9,14,22H,4-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-3+/t9-/m1/s1","","2022-04-17","2023-03-31","(2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid","2023-04-05"],["9PW","(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-{[(4-nitrophenyl)methoxy]methyl}-1H-1,2,3-triazol-1-yl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol","C28 H40 N4 O18","[O-][N+](=O)c1ccc(cc1)COCc1cn(nn1)C1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5ccc(cc5)[N+]([O-])=O)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1COCc2cn(nn2)C3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)[N+](=O)[O-]","InChI=1S/C28H40N4O18/c33-6-14-17(36)20(39)21(40)27(47-14)50-25-19(38)16(8-35)48-28(23(25)42)49-24-18(37)15(7-34)46-26(22(24)41)31-5-12(29-30-31)10-45-9-11-1-3-13(4-2-11)32(43)44/h1-5,14-28,33-42H,6-10H2/t14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26-,27+,28+/m1/s1","","2017-06-21","2026-04-03","(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-{[(4-nitrophenyl)methoxy]methyl}-1H-1,2,3-triazol-1-yl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (non-preferred name)","2018-05-02"],["LE8","2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile","C17 H10 Cl F2 N3 O","Fc1cccc(F)c1Cc1cnc(Nc2cc(Cl)c(C#N)cc2)o1;Fc1cccc(F)c1Cc2oc(Nc3ccc(C#N)c(Cl)c3)nc2;c1cc(c(c(c1)F)Cc2cnc(o2)Nc3ccc(c(c3)Cl)C#N)F","InChI=1S/C17H10ClF2N3O/c18-14-6-11(5-4-10(14)8-21)23-17-22-9-12(24-17)7-13-15(19)2-1-3-16(13)20/h1-6,9H,7H2,(H,22,23)","","2022-03-04","2023-03-10","2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile","2023-03-15"],["LE9","4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine","C4 H3 Br F3 N3","Nc1n[nH]c(c1Br)C(F)(F)F;c1(c([nH]nc1N)C(F)(F)F)Br","InChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)","4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine","2022-07-01","2022-11-04","4-bromanyl-5-(trifluoromethyl)-1~{H}-pyrazol-3-amine","2022-11-09"],["9PX","1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","C19 H25 N4 O13 P","Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(N3)OOC(=O)OC)CC(C(C(O)COP(O)(=O)O)O)O;COC(=O)OO[C]12Nc3cc(C)c(C)cc3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C1=NC(=O)NC2=O;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)OOC(=O)OC)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C19H25N4O13P/c1-8-4-10-11(5-9(8)2)23(6-12(24)14(26)13(25)7-34-37(30,31)32)15-19(22-10,36-35-18(29)33-3)16(27)21-17(28)20-15/h4-5,12-14,22,24-26H,6-7H2,1-3H3,(H,21,27,28)(H2,30,31,32)/t12-,13+,14-,19-/m0/s1","","2018-06-20","2019-06-14","1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","2019-06-19"],["LEA","PENTANOIC ACID","C5 H10 O2","O=C(O)CCCC;CCCCC(O)=O;CCCCC(=O)O","InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)","VALERIC ACID","1999-07-08","2024-09-27","pentanoic acid",""],["9PY","(2R)-2-METHYL-3-DEHYDROQUINIC ACID","C8 H12 O6","O=C1C(C(O)(C(=O)O)CC(O)C1O)C;C[CH]1C(=O)[CH](O)[CH](O)C[C]1(O)C(O)=O;CC1C(=O)C(C(CC1(C(=O)O)O)O)O","InChI=1S/C8H12O6/c1-3-5(10)6(11)4(9)2-8(3,14)7(12)13/h3-4,6,9,11,14H,2H2,1H3,(H,12,13)/t3-,4+,6-,8+/m0/s1","","2014-01-10","2014-10-03","(1R,2R,4S,5R)-1,4,5-trihydroxy-2-methyl-3-oxocyclohexanecarboxylic acid","2014-10-08"],["LEB","1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine","C16 H14 Br F3 N2","CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1;CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br","InChI=1S/C16H14BrF3N2/c1-21-8-10-2-5-14-13(6-10)12-4-3-11(17)7-15(12)22(14)9-16(18,19)20/h2-7,21H,8-9H2,1H3","","2019-08-09","2020-02-14","1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine","2020-02-19"],["9Q0","1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol","C25 H30 N5 O11 P","C4(c2c([n+](c1cc(c(cc1[n+]2C(c3ccccc3)(C(=O)N)O)C)C)CC(C(C(O)COP(O)(O)=O)O)O)NC(N4)=O)=O;Cc1cc2c(cc1C)[n+](c3C(=O)NC(=O)Nc3[n+]2C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[C](O)(C(N)=O)c4ccccc4;Cc1cc2c(cc1C)[n+](c3c([n+]2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(c4ccccc4)(C(=O)N)O","InChI=1S/C25H28N5O11P/c1-12-8-15-16(9-13(12)2)30(25(37,23(26)35)14-6-4-3-5-7-14)19-21(27-24(36)28-22(19)34)29(15)10-17(31)20(33)18(32)11-41-42(38,39)40/h3-9,17-18,20,31-33,37H,10-11H2,1-2H3,(H4-,26,28,34,35,36,38,39,40)/p+2/t17-,18+,20-,25-/m0/s1","","2018-06-20","2019-06-14","1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol","2019-06-19"],["LEC","4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C14 H18 N2 O8","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1NC(=O)C)CO)cc2;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O;CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O","InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1","N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide; 4-nitrophenyl\n2-acetamido-2-deoxy-beta-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside; 4-nitrophenyl\n2-acetamido-2-deoxy-glucoside","2008-11-07","2020-07-17","4-nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside",""],["9Q5","5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one","C30 H30 F3 N3 O11 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](OCC5=Cc6c(F)c(F)ccc6OC5=O)[CH]1O;c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O","InChI=1S/C30H30F3N3O11S/c31-14-3-1-2-12(6-14)17-8-36(35-34-17)22-23(39)19(9-37)46-29(25(22)41)48-30-26(42)27(24(40)20(10-38)47-30)44-11-13-7-15-18(45-28(13)43)5-4-16(32)21(15)33/h1-8,19-20,22-27,29-30,37-42H,9-11H2/t19-,20-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1","","2017-06-25","2018-04-27","5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one","2018-05-02"],["LED","(4R)-5-OXO-L-LEUCINE","C6 H11 N O3","O=CC(C)CC(N)C(=O)O;C[CH](C[CH](N)C(O)=O)C=O;CC(CC(C(=O)O)N)C=O","InChI=1S/C6H11NO3/c1-4(3-8)2-5(7)6(9)10/h3-5H,2,7H2,1H3,(H,9,10)/t4-,5+/m1/s1","","2006-06-07","2024-09-27","(4R)-5-oxo-L-leucine",""],["9Q6","1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","C17 H23 N4 O10 P","Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(O)N3)CC(C(C(O)COP(O)(O)=O)O)O;Cc1cc2N[C]3(O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H23N4O10P/c1-7-3-9-10(4-8(7)2)21(14-17(27,20-9)15(25)19-16(26)18-14)5-11(22)13(24)12(23)6-31-32(28,29)30/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1","","2018-06-20","2019-06-14","1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","2019-06-19"],["LEE","L-gamma-glutamyl-S-hexyl-L-cysteinylglycine","C16 H29 N3 O6 S","O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(=O)O)N;CCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1","","2009-02-05","2011-07-13","L-gamma-glutamyl-S-hexyl-L-cysteinylglycine",""],["9Q8","tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium","C3 H3 O6 Ru","O[Ru](O)(O)(C#[O+])(C#[O+])C#[O+];C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O","InChI=1S/3CO.3H2O.Ru/c3*1-2;;;;/h;;;3*1H2;/q3*+1;;;;+3/p-3","","2017-06-26","2017-07-21","tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium","2017-07-26"],["LEF","(4S)-5-FLUORO-L-LEUCINE","C6 H12 F N O2","FCC(CC(N)C(=O)O)C;C[CH](CF)C[CH](N)C(O)=O;CC(CC(C(=O)O)N)CF","InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1","","2003-05-13","2024-09-27","(4S)-5-fluoro-L-leucine",""],["9Q9","1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C17 H23 F N6 O2","C=1(NC(c3c(N=1)n(C2CCCC2)nc3)=O)NC(C(=O)N4CCC(F)C4)C;C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC[CH](F)C4;CC(C(=O)N1CCC(C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2","InChI=1S/C17H23FN6O2/c1-10(16(26)23-7-6-11(18)9-23)20-17-21-14-13(15(25)22-17)8-19-24(14)12-4-2-3-5-12/h8,10-12H,2-7,9H2,1H3,(H2,20,21,22,25)/t10-,11+/m1/s1","1-cyclopentyl-6-(((R)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one","2018-06-21","2021-03-13","1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2019-04-10"],["LEG","1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE","C15 H20 O","O=C(c1ccc(cc1)CCCCCC)C=C;CCCCCCc1ccc(cc1)C(=O)C=C;CCCCCCc1ccc(cc1)C(=O)C=C","InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3","","2007-05-29","2011-06-04","1-(4-hexylphenyl)prop-2-en-1-one",""],["9QA","7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one","C23 H24 Cl N3 O3","c1ccc(cc1)CCC(N2CCC(CC2)(CN4C=Nc3cc(Cl)ccc3C4=O)O)=O;OC1(CCN(CC1)C(=O)CCc2ccccc2)CN3C=Nc4cc(Cl)ccc4C3=O;c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O","InChI=1S/C23H24ClN3O3/c24-18-7-8-19-20(14-18)25-16-27(22(19)29)15-23(30)10-12-26(13-11-23)21(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,30H,6,9-13,15H2","","2017-05-24","2017-12-15","7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one","2017-12-20"],["LEH","N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine","C21 H37 N3 O3","O=C(O)C(NC(=O)CCCCCCCCCCCn1ccnc1)CC(C)C;CC(C)C[CH](NC(=O)CCCCCCCCCCCn1ccnc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1","InChI=1S/C21H37N3O3/c1-18(2)16-19(21(26)27)23-20(25)12-10-8-6-4-3-5-7-9-11-14-24-15-13-22-17-24/h13,15,17-19H,3-12,14,16H2,1-2H3,(H,23,25)(H,26,27)/t19-/m0/s1","","2007-11-20","2011-06-04","N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine",""],["9QB","chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium","C3 H4 Cl O5 Ru","[OH2+][Ru]([OH2+])(Cl)(C#[O+])(C#[O+])C#[O+];C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl","InChI=1S/3CO.ClH.2H2O.Ru/c3*1-2;;;;/h;;;1H;2*1H2;/q3*+1;;;;+3/p-1","","2017-06-27","2025-11-11","chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium","2017-07-26"],["9QC","5-azanyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one","C4 H4 N6 O","NC1=Nc2[nH]nnc2C(=O)N1;c12c([nH]nn1)N=C(NC2=O)N","InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)","","2018-06-21","2025-11-21","5-azanyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one","2025-11-26"],["LEI","3-sulfanyl-D-valine","C5 H11 N O2 S","O=C(O)C(N)C(S)(C)C;CC(C)(S)[CH](N)C(O)=O;CC(C)(C(C(=O)O)N)S","InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1","D-PENICILLAMINE","2009-05-16","2024-09-27","3-sulfanyl-D-valine",""],["LEJ","1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide","C12 H10 F3 N3 O","n2(ccc(C(NCc1ccc(F)cc1)=O)n2)C(F)F;FC(F)n1ccc(n1)C(=O)NCc2ccc(F)cc2;c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F","InChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19)","","2019-02-22","2019-05-03","1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide","2019-05-08"],["9QD","N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide","C32 H42 N6 O4","N4(CCC(CN2C=Nc3cc(NC(=O)CCN1CCN(C)CC1)ccc3C2=O)(CC4)O)C(=O)CC(c5ccccc5)C;C[CH](CC(=O)N1CCC(O)(CC1)CN2C=Nc3cc(NC(=O)CCN4CCN(C)CC4)ccc3C2=O)c5ccccc5;CC(CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5","InChI=1S/C32H42N6O4/c1-24(25-6-4-3-5-7-25)20-30(40)37-14-11-32(42,12-15-37)22-38-23-33-28-21-26(8-9-27(28)31(38)41)34-29(39)10-13-36-18-16-35(2)17-19-36/h3-9,21,23-24,42H,10-20,22H2,1-2H3,(H,34,39)/t24-/m1/s1","","2017-05-24","2017-12-15","N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide","2017-12-20"],["LEK","1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine","C19 H19 N3 S","CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4;CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC","InChI=1S/C19H19N3S/c1-3-22-18-7-4-13(10-20-2)8-16(18)15-6-5-14(9-19(15)22)17-11-23-12-21-17/h4-9,11-12,20H,3,10H2,1-2H3","","2019-08-09","2020-02-14","1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine","2020-02-19"],["9QF","[(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C17 H23 N4 O11 P","Cc1cc2N[C]3(OO)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)OO)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H23N4O11P/c1-7-3-9-10(4-8(7)2)21(5-11(22)13(24)12(23)6-31-33(28,29)30)14-17(20-9,32-27)15(25)19-16(26)18-14/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1","","2018-06-21","2019-06-14","[(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2019-06-19"],["LEL","2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid","C8 H6 N4 O2","O=C(O)c2ccnc(c1nnnc1)c2;OC(=O)c1ccnc(c1)c2cn[nH]n2;c1cnc(cc1C(=O)O)c2cn[nH]n2","InChI=1S/C8H6N4O2/c13-8(14)5-1-2-9-6(3-5)7-4-10-12-11-7/h1-4H,(H,13,14)(H,10,11,12)","","2014-06-27","2015-06-12","2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid","2015-06-17"],["9QG","methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside","C10 H18 O8","O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O;CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1O;CC(C(=O)O)OC1C(C(OC(C1O)OC)CO)O","InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1","methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside; methyl 3-O-[(1R)-1-carboxyethyl]-D-galactoside; methyl\n3-O-[(1R)-1-carboxyethyl]-galactoside","2017-05-25","2020-07-17","methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside","2018-05-23"],["LEM","(3S)-3-amino-5-methylhexan-2-one","C7 H15 N O","O=C(C)C(N)CC(C)C;CC(C)C[CH](N)C(C)=O;CC(C)CC(C(=O)C)N","InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1","Deoxy-methyl-leucine","2008-04-07","2011-08-06","(3S)-3-amino-5-methylhexan-2-one",""],["9QI","5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile","C21 H13 F7 N4 O3","FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F;Cc1c(OC2=C(N=CN(CC3=CC(=CNC3=O)F)C2=O)C(F)(F)C(F)F)cc(cc1C#N)C(F)F;Cc1c(cc(cc1OC2=C(N=CN(C2=O)CC3=CC(=CNC3=O)F)C(C(F)F)(F)F)C(F)F)C#N","InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33)","","2021-10-25","2022-11-18","5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile","2022-11-23"],["LEN","3-METHYLBUTAN-1-AMINE","C5 H13 N","NCCC(C)C;CC(C)CCN;CC(C)CCN","InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3","","2003-05-27","2024-09-27","3-methylbutan-1-amine",""],["9QJ","(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid","C14 H19 N2 O7 P","C(c1c(O)c(C)ncc1COP(O)(O)=O)C2C(=N)CC(C2)C(O)=O;Cc1ncc(CO[P](O)(O)=O)c(C[CH]2C[CH](CC2=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CC2CC(CC2=N)C(=O)O)O","InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12+/t8-,9-/m0/s1","","2017-05-26","2024-09-27","(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid","2017-08-30"],["LEO","D-LIMONENE 1,2-EPOXIDE","C10 H16 O","O1C2(C)CCC(/C(=C)C)CC12;CC(=C)[CH]1CC[C]2(C)O[CH]2C1;CC(=C)C1CCC2(C(C1)O2)C","InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1","","1999-07-08","2011-06-04","(1S,4R,6R)-1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane",""],["9QK","2-(3-fluorophenyl)quinoline-4-carboxylic acid","C16 H10 F N O2","OC(=O)c1cc(nc2ccccc12)c3cccc(F)c3;c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O","InChI=1S/C16H10FNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)","","2017-06-28","2017-08-04","2-(3-fluorophenyl)quinoline-4-carboxylic acid","2017-08-09"],["LEP","N~2~-phosphono-L-leucinamide","C6 H15 N2 O4 P","O=P(O)(O)NC(C(=O)N)CC(C)C;CC(C)C[CH](N[P](O)(O)=O)C(N)=O;CC(C)CC(C(=O)N)NP(=O)(O)O","InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1","P-Leu-NH2","2009-01-20","2012-12-11","N~2~-phosphono-L-leucinamide",""],["9QL","2-methyl-4-(2-nitro-4-piperidin-1-yl-phenyl)carbonyl-5-phenyl-1H-pyrazol-3-one","C22 H22 N4 O4","CN1NC(=C(C1=O)C(=O)c2ccc(cc2[N+]([O-])=O)N3CCCCC3)c4ccccc4;CN1C(=O)C(=C(N1)c2ccccc2)C(=O)c3ccc(cc3[N+](=O)[O-])N4CCCCC4","InChI=1S/C22H22N4O4/c1-24-22(28)19(20(23-24)15-8-4-2-5-9-15)21(27)17-11-10-16(14-18(17)26(29)30)25-12-6-3-7-13-25/h2,4-5,8-11,14,23H,3,6-7,12-13H2,1H3","","2022-03-14","2022-05-27","2-methyl-4-(2-nitro-4-piperidin-1-yl-phenyl)carbonyl-5-phenyl-1~{H}-pyrazol-3-one","2022-06-01"],["9QM","8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one","C25 H22 F2 N4 O2","CN1CCN(CC1)C2=Nc3c(F)cccc3C(=O)N2c4ccc(Oc5ccc(F)cc5)cc4;CN1CCN(CC1)C2=Nc3c(cccc3F)C(=O)N2c4ccc(cc4)Oc5ccc(cc5)F","InChI=1S/C25H22F2N4O2/c1-29-13-15-30(16-14-29)25-28-23-21(3-2-4-22(23)27)24(32)31(25)18-7-11-20(12-8-18)33-19-9-5-17(26)6-10-19/h2-12H,13-16H2,1H3","","2023-04-18","2023-08-04","8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one","2023-08-09"],["LEQ","5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one","C14 H14 N2 O2 S","CN1C=C(C=CC1=O)C(=O)N2CCc3sccc3C2;CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2","InChI=1S/C14H14N2O2S/c1-15-8-11(2-3-13(15)17)14(18)16-6-4-12-10(9-16)5-7-19-12/h2-3,5,7-8H,4,6,9H2,1H3","","2019-08-09","2020-08-21","5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one","2020-08-26"],["LER","L-Erythrulose","C4 H8 O4","C(O)C(C(CO)O)=O;OC[CH](O)C(=O)CO;C(C(C(=O)CO)O)O","InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1","(3S)-1,3,4-trihydroxybutan-2-one","2015-03-30","2020-07-17","(3S)-1,3,4-trihydroxybutan-2-one","2016-03-23"],["9QN","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C21 H23 Cl2 N3 O4 S","OC[CH]1CN(Cc2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4cc(Cl)cc(Cl)c4;c1ccnc(c1)CN2CC(C3CCCC(C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO","InChI=1S/C21H23Cl2N3O4S/c22-15-8-16(23)10-18(9-15)31(29,30)26-19-5-3-6-20(26)21(28)25(11-14(19)13-27)12-17-4-1-2-7-24-17/h1-2,4,7-10,14,19-20,27H,3,5-6,11-13H2/t14-,19-,20+/m1/s1","","2017-06-28","2018-03-29","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2018-04-04"],["LES","(3S)-N-(pyrimidin-2-yl)azepan-3-amine","C10 H16 N4","N(C1CNCCCC1)c2ncccn2;C1CC[CH](CNC1)Nc2ncccn2;c1cnc(nc1)NC2CCCCNC2","InChI=1S/C10H16N4/c1-2-5-11-8-9(4-1)14-10-12-6-3-7-13-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,12,13,14)/t9-/m0/s1","","2019-02-22","2019-05-03","(3S)-N-(pyrimidin-2-yl)azepan-3-amine","2019-05-08"],["9QO","5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine","C21 H28 N8 O2","c1(nc(c(c(N)n1)c2cccc(c2)OCCCOc3c(CC)nc(nc3N)N)CC)N;CCc1nc(N)nc(N)c1OCCCOc2cccc(c2)c3c(N)nc(N)nc3CC;CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC","InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-7-5-8-13(11-12)30-9-6-10-31-17-15(4-2)27-21(25)29-19(17)23/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)","","2018-06-21","2019-04-05","5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine","2019-04-10"],["9QQ"," 6-hydroxybenzimidazolyl-norcobamide","C59 H83 Co N13 O15 P","CC1=C2[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]3(C)[CH]4[CH](CC(N)=O)[C](C)(CCC(=O)NCCO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO)n6cnc7ccc(O)cc67)C8=[N+]4[Co]9([N]23)[N+]%10=C1[C](C)(CC(N)=O)[CH](CCC(N)=O)C%10=CC%11=[N+]9C(=C8C)[CH](CCC(N)=O)C%11(C)C;CC1=C2C(C(C3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1C(C8CCC(=O)N)(C)CC(=O)N)C(C7CCC(=O)N)(C)C)C)C(C(C36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)OC9C(OC(C9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N","InChI=1S/C59H84N13O15P.Co/c1-28-47-32(11-15-41(61)76)55(3,4)39(69-47)23-36-31(10-14-40(60)75)57(6,24-44(64)79)52(68-36)29(2)48-33(12-16-42(62)77)58(7,25-45(65)80)59(8,71-48)53-34(22-43(63)78)56(5,51(28)70-53)18-17-46(81)66-19-20-85-88(83,84)87-50-38(26-73)86-54(49(50)82)72-27-67-35-13-9-30(74)21-37(35)72;/h9,13,21,23,27,31-34,38,49-50,53-54,73,82H,10-12,14-20,22,24-26H2,1-8H3,(H16,60,61,62,63,64,65,66,68,69,70,71,74,75,76,77,78,79,80,81,83,84);/q;+4/p-1/t31-,32-,33-,34+,38-,49-,50-,53-,54+,56-,57+,58+,59+;/m1./s1","","2017-06-29","2018-02-09","","2018-02-14"],["LET","(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE","C16 H26 N2 O8","O=C(COC/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CCC(=O)O;N[CH](CCCCN=C(CCC(O)=O)COCC(=O)CCC(O)=O)C(O)=O;C(CCN=C(CCC(=O)O)COCC(=O)CCC(=O)O)CC(C(=O)O)N","InChI=1S/C16H26N2O8/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-26-10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1","2-AMINO-6-[3-CARBOXY-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID","2005-09-11","2024-09-27","(E)-N~6~-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-L-lysine",""],["LEU","LEUCINE","C6 H13 N O2","O=C(O)C(N)CC(C)C;CC(C)C[CH](N)C(O)=O;CC(C)CC(C(=O)O)N","InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1","","1999-07-08","2024-09-27","L-leucine",""],["9QR","5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine","C21 H28 N8 O2","n1c(c(c(nc1N)CC)OCCCOc3ccc(c2c(N)nc(nc2CC)N)cc3)N;CCc1nc(N)nc(N)c1OCCCOc2ccc(cc2)c3c(N)nc(N)nc3CC;CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC","InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-6-8-13(9-7-12)30-10-5-11-31-17-15(4-2)27-21(25)29-19(17)23/h6-9H,3-5,10-11H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)","","2018-06-21","2019-04-05","5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine","2019-04-10"],["LEV","4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide","C21 H19 Cl N4 O4","COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl;COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O;COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4","InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)","lenvatinib","2014-09-26","2020-06-17","4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide","2015-05-27"],["9QT","2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid","C16 H9 Cl F N O2","OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3;c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O","InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21)","","2017-06-29","2017-08-04","2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid","2017-08-09"],["9QU","N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide","C24 H27 N5 O","O=C(CNCc1cc2ccccc2[NH]1)NC1CCC(CC1)c1nc2ccccc2[NH]1;O=C(CNCc1[nH]c2ccccc2c1)N[CH]3CC[CH](CC3)c4[nH]c5ccccc5n4;c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4","InChI=1S/C24H27N5O/c30-23(15-25-14-19-13-17-5-1-2-6-20(17)26-19)27-18-11-9-16(10-12-18)24-28-21-7-3-4-8-22(21)29-24/h1-8,13,16,18,25-26H,9-12,14-15H2,(H,27,30)(H,28,29)/t16-,18+","","2021-10-26","2022-01-14","N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide","2022-01-19"],["LEW","1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole","C18 H19 N3 O5","n1nn(cc1c3c2ccccc2ccc3)C4OC(C(O)C(O)C4O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(nn2)c3cccc4ccccc34;c1ccc2c(c1)cccc2c3cn(nn3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C18H19N3O5/c22-9-14-15(23)16(24)17(25)18(26-14)21-8-13(19-20-21)12-7-3-5-10-4-1-2-6-11(10)12/h1-8,14-18,22-25H,9H2/t14-,15-,16+,17-,18-/m1/s1","","2009-02-05","2011-06-04","1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole",""],["LEX","(3S)-3-amino-1-hydroxy-5-methylhexan-2-one","C7 H15 N O2","O=C(C(N)CC(C)C)CO;CC(C)C[CH](N)C(=O)CO;CC(C)CC(C(=O)CO)N","InChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1","","2010-12-02","2011-06-04","(3S)-3-amino-1-hydroxy-5-methylhexan-2-one",""],["9QV","uridine 2',5'-bis(dihydrogen phosphate)","C9 H14 N2 O12 P2","O(P(O)(=O)O)CC1C(C(C(O1)N2C=CC(=O)NC2=O)OP(O)(O)=O)O;O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-7(23-25(18,19)20)6(13)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1","","2017-05-31","2018-05-04","uridine 2',5'-bis(dihydrogen phosphate)","2018-05-09"],["LEY","N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide","C14 H16 F N3 O","n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C;CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2;CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F","InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide","2019-05-08"],["9QW","(4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one","C26 H24 Cl2 N6 O4","COc1ncc(c(OC)n1)c2nc3C(=O)N([CH](c4ccc(Cl)cc4)c3n2C(C)C)C5=CC(=CN(C)C5=O)Cl;CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N(C2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl","InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1","","2017-06-30","2018-08-17","(4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one","2018-08-22"],["LEZ","~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine","C21 H24 Cl N3","Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c1;c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl","InChI=1S/C21H24ClN3/c22-18-5-3-4-16(12-18)13-23-19-8-10-25(11-9-19)15-17-14-24-21-7-2-1-6-20(17)21/h1-7,12,14,19,23-24H,8-11,13,15H2","","2019-08-10","2020-08-21","~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine","2020-08-26"],["9QY","methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate","C20 H19 Cl N2 O4","COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O;COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3ccccc3;COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O","InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3","resorcinylic inhibitor BnIm","2017-06-01","2021-03-01","methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate","2018-04-18"],["LF0","(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid","C25 H27 N O4","O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCCc2c3)C;Cc1nc2ccccc2c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)C(C(=O)O)OC(C)(C)C","InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1","","2012-12-21","2013-04-26","(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid","2013-05-01"],["9QZ","[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy\n]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate","C12 H22 O26 S5","OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C12H22O26S5/c13-1-3-6(34-39(16,17)18)8(36-41(22,23)24)10(38-43(28,29)30)12(33-3)31-2-4-5(14)7(35-40(19,20)21)9(11(15)32-4)37-42(25,26)27/h3-15H,1-2H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/t3-,4+,5+,6-,7-,8-,9+,10+,11-,12-/m1/s1","","2017-06-30","2020-07-17","[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate","2017-09-20"],["LF1","N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide","C22 H27 N5 O3","COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCNC[CH]4C;CC1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C","InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1","","2016-05-16","2016-07-01","N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide","2016-07-06"],["9R0","2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid","C28 H25 Cl2 N3 O4 S","c7c(Cl)c(c2noc(C1CC1)c2COC3CC6(C3)CN(c4sc5c(n4)ccc(c5)C(O)=O)CC6)c(cc7)Cl;OC(=O)c1ccc2nc(sc2c1)N3CC[C]4(C[CH](C4)OCc5c(onc5c6c(Cl)cccc6Cl)C7CC7)C3;c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl","InChI=1S/C28H25Cl2N3O4S/c29-19-2-1-3-20(30)23(19)24-18(25(37-32-24)15-4-5-15)13-36-17-11-28(12-17)8-9-33(14-28)27-31-21-7-6-16(26(34)35)10-22(21)38-27/h1-3,6-7,10,15,17H,4-5,8-9,11-14H2,(H,34,35)/t17-,28+","","2018-06-26","2018-10-05","2-[(2r,4s)-2-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid","2018-10-10"],["LF2","(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid","C22 H21 Br Cl N O3","O=C(O)C(OC(C)(C)C)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3;Cc1nc2ccc(Br)cc2c(c3ccc(Cl)cc3)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)C(C(=O)O)OC(C)(C)C","InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1","","2012-09-06","2013-04-26","(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid","2013-05-01"],["9R1","(2S)-2-aminooctanedioic acid","C8 H15 N O4","NC(CCCCCC(O)=O)C(O)=O;N[CH](CCCCCC(O)=O)C(O)=O;C(CCC(C(=O)O)N)CCC(=O)O","InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1","","2017-06-01","2024-09-27","(2S)-2-aminooctanedioic acid","2017-11-15"],["LF3","2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide","C16 H14 Cl N3 O3","Cc1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O;Cc1ccncc1NC(=O)CN2C(=O)COc3ccc(Cl)cc23;Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl","InChI=1S/C16H14ClN3O3/c1-10-4-5-18-7-12(10)19-15(21)8-20-13-6-11(17)2-3-14(13)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,19,21)","","2023-08-15","2023-11-03","2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["9R2","[(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate","C22 H42 O7","CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)28-16-17-19(24)20(25)21(26)22(27)29-17/h17,19-22,24-27H,2-16H2,1H3/t17-,19-,20+,21+,22+/m1/s1","","2017-06-30","2017-12-22","[(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate","2017-12-27"],["9R3","2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid","C29 H27 Cl2 N3 O4 S","OC(c1cc2c(cc1)nc(s2)N3CC4C(C(C3)CCC4)OCc5c(onc5c6c(cccc6Cl)Cl)C7CC7)=O;OC(=O)c1ccc2nc(sc2c1)N3C[CH]4CCC[CH](C3)[CH]4OCc5c(onc5c6c(Cl)cccc6Cl)C7CC7;c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4C5CCCC4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl","InChI=1S/C29H27Cl2N3O4S/c30-20-5-2-6-21(31)24(20)25-19(27(38-33-25)15-7-8-15)14-37-26-17-3-1-4-18(26)13-34(12-17)29-32-22-10-9-16(28(35)36)11-23(22)39-29/h2,5-6,9-11,15,17-18,26H,1,3-4,7-8,12-14H2,(H,35,36)/t17-,18+,26-","","2018-06-26","2018-10-05","2-[(9-anti)-9-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid","2018-10-10"],["LF4","N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide","C14 H16 F N3 O","n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O;CC(C)c1cc([nH]n1)C(=O)NCc2ccc(F)cc2;CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F","InChI=1S/C14H16FN3O/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide","2019-05-08"],["9R4","D-gamma-glutamyl-2-methyl-L-alanine","C9 H16 N2 O5","NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O;CC(C)(NC(=O)CC[CH](N)C(O)=O)C(O)=O;CC(C)(C(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1","","2017-06-01","2024-09-27","D-gamma-glutamyl-2-methyl-L-alanine","2017-11-15"],["LF5","4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide","C12 H13 Cl N2 O S","CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N;CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)Cl","InChI=1S/C12H13ClN2OS/c1-6(2)16-9-4-3-8(13)7-5-10(12(14)15)17-11(7)9/h3-6H,1-2H3,(H3,14,15)","","2019-08-10","2020-06-12","4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide","2020-06-17"],["LF6","{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol","C9 H15 N3 O S","CC1=NC(=NC2CCCC2CO)SN1;CC1=NC(SN1)=N[CH]2CCC[CH]2CO;CC1=NC(=NC2CCCC2CO)SN1","InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-8-4-2-3-7(8)5-13/h7-8,13H,2-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1","","2022-03-04","2022-03-11","{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol","2022-03-16"],["9R5","[(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine","C9 H10 Cl N O2","NC[CH]1COc2cc(Cl)ccc2O1;c1cc2c(cc1Cl)OCC(O2)CN","InChI=1S/C9H10ClNO2/c10-6-1-2-8-9(3-6)12-5-7(4-11)13-8/h1-3,7H,4-5,11H2/t7-/m1/s1","","2017-06-30","2018-08-17","[(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine","2018-08-22"],["LF7","2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o\nne","C17 H27 N3 O2","O=C(N1C(CCC1)C=N)CNC24CC3CC(C2)CC(C3)(O)C4;OC12C[CH]3C[CH](C1)CC(C3)(C2)NCC(=O)N4CCC[CH]4C=N;C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C=N","InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1","Vildagliptin, bound form","2012-12-11","2024-09-27","2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one","2013-05-15"],["9R6","(1R,2S,3R)-1-cyclopropyl-2-(iminomethyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propane-1,3-diol","C15 H18 F3 N O4 S","C[S](=O)(=O)c1cc(ccc1[CH](O)[CH](C=N)[CH](O)C2CC2)C(F)(F)F;CS(=O)(=O)c1cc(ccc1C(C(C=N)C(C2CC2)O)O)C(F)(F)F","InChI=1S/C15H18F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-8,11,13-14,19-21H,2-3H2,1H3/b19-7-/t11-,13+,14-/m0/s1","","2022-03-14","2022-05-27","(1~{R},2~{S},3~{R})-1-cyclopropyl-2-(iminomethyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propane-1,3-diol","2022-06-01"],["LF8","(2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid","C27 H30 Cl N O3","O=C(O)C(OC(C)(C)C)c1c(c(c(nc1C)c2ccc(c(c2)C)C)C)c3ccc(Cl)cc3;Cc1ccc(cc1C)c2nc(C)c([CH](OC(C)(C)C)C(O)=O)c(c2C)c3ccc(Cl)cc3;Cc1ccc(cc1C)c2c(c(c(c(n2)C)C(C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C","InChI=1S/C27H30ClNO3/c1-15-8-9-20(14-16(15)2)24-17(3)22(19-10-12-21(28)13-11-19)23(18(4)29-24)25(26(30)31)32-27(5,6)7/h8-14,25H,1-7H3,(H,30,31)/t25-/m0/s1","","2014-01-03","2014-06-27","(2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid","2014-07-02"],["9R7","L-gamma-glutamylglycine","C7 H12 N2 O5","NC(CCC(NCC(O)=O)=O)C(=O)O;N[CH](CCC(=O)NCC(O)=O)C(O)=O;C(CC(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1","","2017-06-02","2024-09-27","L-gamma-glutamylglycine","2017-11-15"],["LF9","(2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid","C26 H26 Cl N3 O3","O=C(O)C(OC(C)(C)C)c2c(c1ccccc1)c(c(nc2C)c4nc3cc(Cl)ccc3n4)C;Cc1nc(c(C)c(c2ccccc2)c1[CH](OC(C)(C)C)C(O)=O)c3[nH]c4ccc(Cl)cc4n3;Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)C(C(=O)O)OC(C)(C)C)c4ccccc4","InChI=1S/C26H26ClN3O3/c1-14-20(16-9-7-6-8-10-16)21(23(25(31)32)33-26(3,4)5)15(2)28-22(14)24-29-18-12-11-17(27)13-19(18)30-24/h6-13,23H,1-5H3,(H,29,30)(H,31,32)/t23-/m0/s1","","2014-01-02","2014-06-27","(2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid","2014-07-02"],["9R8","6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide","C27 H28 N4 O3","CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc(cc4)N5CCOCC5;Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5","InChI=1S/C27H28N4O3/c1-18-4-3-5-19(14-18)15-24-22-16-23(26(32)17-25(22)29-28-24)27(33)30(2)20-6-8-21(9-7-20)31-10-12-34-13-11-31/h3-9,14,16-17,32H,10-13,15H2,1-2H3,(H,28,29)","","2017-07-03","2018-05-18","~{N}-methyl-3-[(3-methylphenyl)methyl]-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide","2018-05-23"],["9R9","1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol","C13 H15 Cl N2 O","C1C(CCCC1)(c3c2cnnc2cc(Cl)c3)O;OC1(CCCCC1)c2cc(Cl)cc3[nH]ncc23;c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl","InChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16)","","2018-06-27","2018-07-13","1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol","2018-07-18"],["LFA","EICOSANE","C20 H42","C(CCCCCCCCCCCCCCCCC)CC;CCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC","InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3","LIPID FRAGMENT","2003-11-19","2021-03-01","icosane",""],["LFB","7-methoxy-1-benzothiophene-2-carboximidamide","C10 H10 N2 O S","COc1cccc2cc(sc12)C(N)=N;COc1cccc2c1sc(c2)C(=N)N","InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)","","2019-08-12","2020-06-12","7-methoxy-1-benzothiophene-2-carboximidamide","2020-06-17"],["9RA","4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid","C24 H28 O2","O=C(O)c1ccc(cc1)C(/c2c(cc3c(c2)C(CCC3(C)C)(C)C)C)=C;Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C;Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)","","2009-04-13","2011-06-04","4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid",""],["LFC","6-deoxy-L-galactonic acid","C6 H12 O6","O=C(O)C(O)C(O)C(O)C(O)C;C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;CC(C(C(C(C(=O)O)O)O)O)O","InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1","","2006-08-04","2020-06-24","6-deoxy-L-galactonic acid",""],["9RB","(2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide","C15 H17 N5 O2","Cn1nc(C)c(N=Nc2ccc(C=CC(=O)NO)cc2)c1C;Cc1c(c(n(n1)C)C)N=Nc2ccc(cc2)C=CC(=O)NO","InChI=1S/C15H17N5O2/c1-10-15(11(2)20(3)18-10)17-16-13-7-4-12(5-8-13)6-9-14(21)19-22/h4-9,22H,1-3H3,(H,19,21)/b9-6+,17-16+","","2016-03-23","2016-11-18","(~{E})-~{N}-oxidanyl-3-[4-[(~{E})-(1,3,5-trimethylpyrazol-4-yl)diazenyl]phenyl]prop-2-enamide","2016-11-23"],["LFD","(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate","C28 H25 Cl4 N5 O2","Clc1ccc(cc1Cl)N5CCN(c2ccc(cc2)NC(=O)OC(c3ccc(Cl)cc3Cl)Cn4ccnc4)CC5;Clc1ccc([CH](Cn2ccnc2)OC(=O)Nc3ccc(cc3)N4CCN(CC4)c5ccc(Cl)c(Cl)c5)c(Cl)c1;c1cc(ccc1NC(=O)OC(Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl","InChI=1S/C28H25Cl4N5O2/c29-19-1-7-23(25(31)15-19)27(17-35-10-9-33-18-35)39-28(38)34-20-2-4-21(5-3-20)36-11-13-37(14-12-36)22-6-8-24(30)26(32)16-22/h1-10,15-16,18,27H,11-14,17H2,(H,34,38)/t27-/m0/s1","","2014-01-02","2014-07-25","(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate","2014-07-30"],["9RC","5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine","C16 H18 N3 O10 P","O=C1NC(=O)C(C)=CN1C2CC(O)C(O2)COP(Oc3ccc([N+]([O-])=O)cc3)(=O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)Oc3ccc(cc3)[N+]([O-])=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O","InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1","PNP-TMP","2018-06-28","2020-06-17","5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine","2019-03-13"],["LFE","~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide","C54 H70 Cl N9 O11 S2","Cc1sc2n3c(C)nnc3[CH](CC(=O)N[CH]4COCCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7scnc7C)C(C)(C)C)N[CH](c8ccc(Cl)cc8)c2c1C;Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NC4COCCOCCOCC(=O)NC(C(=O)N5CC(CC5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C","InChI=1S/C54H70ClN9O11S2/c1-31-33(3)77-53-46(31)47(35-10-12-38(55)13-11-35)59-41(50-62-61-34(4)64(50)53)24-44(66)58-39-27-72-17-14-70-16-19-74-29-45(67)60-49(54(5,6)7)52(69)63-26-40(65)23-42(63)51(68)56-25-37-9-8-36(48-32(2)57-30-76-48)22-43(37)75-21-20-71-15-18-73-28-39/h8-13,22,30,39-42,47,49,59,65H,14-21,23-29H2,1-7H3,(H,56,68)(H,58,66)(H,60,67)/t39-,40+,41-,42-,47-,49+/m0/s1","","2019-08-12","2019-11-29","~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide","2019-12-04"],["9RD","(cyclohex-1-ene-1,2-diamine)platinum(2+)","C6 H12 N2 Pt","[Pt+2]1[nH+]c2c([nH+]1)CCCC2;[Pt++].NC1=C(N)CCCC1;C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2","InChI=1S/C6H12N2.Pt/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H2;/q;+4","","2017-06-02","2019-02-08","(cyclohex-1-ene-1,2-diamine-kappa~2~N,N')platinum(4+)","2019-02-13"],["LFF","(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid","C26 H35 N2 O6 P","O=C(O)C(Cc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc2ccccc2;CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O;CC(C)CC(C(=O)NC(Cc1ccccc1)P(=O)(CC(Cc2ccccc2)C(=O)O)O)NC(=O)C","InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1","ACETYL-LEU-PHE-Y(PO2CH2)-PHE-OH","2014-12-23","2020-06-17","(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid","2016-01-20"],["9RF","{2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid","C19 H15 F3 N2 O3 S2","c3(c1ccc(C(F)(F)F)cc1)nnc(CSc2ccc(OCC(=O)O)c(C)c2)s3;Cc1cc(SCc2sc(nn2)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O;Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F","InChI=1S/C19H15F3N2O3S2/c1-11-8-14(6-7-15(11)27-9-17(25)26)28-10-16-23-24-18(29-16)12-2-4-13(5-3-12)19(20,21)22/h2-8H,9-10H2,1H3,(H,25,26)","","2018-06-29","2019-07-05","{2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid","2019-07-10"],["LFG","N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine","C12 H19 N3 O","n2nc(NC1CCCCCC1)oc2C3CC3;C1CCCC(CC1)Nc2oc(nn2)C3CC3;C1CCCC(CC1)Nc2nnc(o2)C3CC3","InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15)","","2019-02-22","2019-05-03","N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine","2019-05-08"],["9RH","2,2,2-trifluoromethyl acetophenone hydrate","C8 H7 F3 O2","OC(O)(c1ccccc1)C(F)(F)F;c1ccc(cc1)C(C(F)(F)F)(O)O","InChI=1S/C8H7F3O2/c9-8(10,11)7(12,13)6-4-2-1-3-5-6/h1-5,12-13H","","2017-07-03","2018-05-11","2,2,2-tris(fluoranyl)-1-phenyl-ethane-1,1-diol","2018-05-16"],["9RI","N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine","C14 H26 N2 O2","CN(CCCCC(N)C(=O)O)C1CC2CCC1C2;CN(CCCC[CH](N)C(O)=O)[CH]1C[CH]2CC[CH]1C2;CN(CCCCC(C(=O)O)N)C1CC2CCC1C2","InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1","","2021-10-26","2024-09-27","N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine","2021-11-17"],["LFH","dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide","C7 H5 Fe2 N3 O3 S3","S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+];C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+]","InChI=1S/C2H6NS2.2CN.3CO.2Fe.H2S/c4-1-3-2-5;5*1-2;;;/h3-4H,1-2H2;;;;;;;;1H2/q;;;;2*+1;;+1;/p-2","","2019-08-12","2020-07-03","","2020-07-08"],["LFI","1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one","C12 H18 Br3 N3 O3","BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr;C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr","InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2","Chemical crosslinker","2022-07-01","2024-09-27","1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one","2023-09-20"],["9RJ","4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol","C18 H14 O2","Oc1ccc(C=Cc2cccc3ccccc23)cc1O;c1ccc2c(c1)cccc2C=Cc3ccc(c(c3)O)O","InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+","","2021-11-19","2022-11-18","4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol","2022-11-23"],["LFJ","1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one","C15 H16 N2 O4","N1(CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3;CC(=O)N1CCN(CC=C1)C(=O)c2ccc3OCOc3c2;CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3","InChI=1S/C15H16N2O4/c1-11(18)16-5-2-6-17(8-7-16)15(19)12-3-4-13-14(9-12)21-10-20-13/h2-5,9H,6-8,10H2,1H3","","2019-02-22","2019-05-03","1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one","2019-05-08"],["9RK","~{N}-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide","C14 H13 N O4","O=C(NC[CH]1COc2ccccc2O1)c3occc3;c1ccc2c(c1)OCC(O2)CNC(=O)c3ccco3","InChI=1S/C14H13NO4/c16-14(13-6-3-7-17-13)15-8-10-9-18-11-4-1-2-5-12(11)19-10/h1-7,10H,8-9H2,(H,15,16)/t10-/m1/s1","","2017-07-03","2018-08-17","~{N}-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide","2018-08-22"],["LFK","3-(3-hydroxyphenyl)carbonyloxybenzoic acid","C14 H10 O5","OC(=O)c1cccc(OC(=O)c2cccc(O)c2)c1;c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O","InChI=1S/C14H10O5/c15-11-5-1-4-10(7-11)14(18)19-12-6-2-3-9(8-12)13(16)17/h1-8,15H,(H,16,17)","","2019-08-13","2020-01-10","3-(3-hydroxyphenyl)carbonyloxybenzoic acid","2020-01-15"],["9RL","(2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol","C18 H18 Cl N3 O","C(C(C(C)(O)c1ccccc1)n2cncn2)c3ccc(cc3)Cl;C[C](O)([CH](Cc1ccc(Cl)cc1)n2cncn2)c3ccccc3;CC(c1ccccc1)(C(Cc2ccc(cc2)Cl)n3cncn3)O","InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3/t17-,18+/m0/s1","","2018-07-04","2019-06-07","(2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol","2019-06-12"],["LFL","(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol","C21 H25 Cl O5 S","CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[CH]3O)cc1;CCOc1ccc(cc1)Cc2cc(ccc2Cl)C3C(C(C(C(O3)SC)O)O)O","InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1","Sotagliflozin","2022-11-18","2023-11-10","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol","2023-11-15"],["9RM","6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one","C11 H9 F3 N4 O","O=C2N=NC(=C(Nc1cc(ccc1)C(F)(F)F)N2)C;CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F;CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F","InChI=1S/C11H9F3N4O/c1-6-9(16-10(19)18-17-6)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H2,15,16,18,19)","","2014-11-05","2015-02-13","6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one","2015-02-18"],["LFM","N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide","C14 H14 F N3 O2","N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3;Fc1ccc(CNC(=O)c2cnn3CCCOc23)cc1;c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F","InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide","2019-05-08"],["9RN","3,6-anhydro-alpha-D-galactopyranose","C6 H10 O5","OC1OC2COC(C2O)C1O;O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O;C1C2C(C(O1)C(C(O2)O)O)O","InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1","","2017-07-03","2024-02-19","3,6-anhydro-alpha-D-galactopyranose","2017-10-18"],["LFN","LUMIFLAVIN","C13 H12 N4 O2","O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C;CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C","InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)","7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE","2006-01-13","2021-03-13","7,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione",""],["9RO","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C32 H46 O4","CO[CH](CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3)c4ccc(O)cc4;CC(CCCC(c1ccc(cc1)O)OC)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C","InChI=1S/C32H46O4/c1-21(7-5-9-31(36-4)25-12-14-26(33)15-13-25)27-16-17-28-24(8-6-18-32(27,28)3)11-10-23-19-29(34)22(2)30(35)20-23/h10-15,21,27-31,33-35H,2,5-9,16-20H2,1,3-4H3/b24-11+/t21-,27-,28+,29-,30-,31-,32-/m1/s1","","2018-07-04","2018-07-06","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2018-07-11"],["LFO","N,1-dimethyl-1H-indole-3-carboxamide","C11 H12 N2 O","CNC(=O)c1cn(C)c2ccccc21;CNC(=O)c1cn(C)c2ccccc12;CNC(=O)c1cn(c2c1cccc2)C","InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)","","2022-03-04","2022-03-11","N,1-dimethyl-1H-indole-3-carboxamide","2022-03-16"],["9RP","1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol","C16 H12 N4 O","n3(c(c(c2cc1c(ccnc1)n2)cn3)O)c4ccccc4;Oc1n(ncc1c2[nH]c3ccncc3c2)c4ccccc4;c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O","InChI=1S/C16H12N4O/c21-16-13(10-18-20(16)12-4-2-1-3-5-12)15-8-11-9-17-7-6-14(11)19-15/h1-10,19,21H","","2017-06-06","2017-06-16","1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol","2017-06-21"],["LFP","5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide","C12 H11 Cl F N3 O","n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C;Cn1ncc(C(=O)NCc2ccc(F)cc2)c1Cl;Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl","InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)","","2019-02-22","2019-05-03","5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide","2019-05-08"],["9RQ","[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid","C18 H17 O8 P S","C[CH](c1ccccc1)[P](O)(=O)Oc2ccc3C(=CC(=O)Oc3c2)C[S](O)(=O)=O;CC(c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O","InChI=1S/C18H17O8PS/c1-12(13-5-3-2-4-6-13)27(20,21)26-15-7-8-16-14(11-28(22,23)24)9-18(19)25-17(16)10-15/h2-10,12H,11H2,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1","","2017-07-04","2018-12-07","[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid","2018-12-12"],["LFQ","5-methyl-4-phenyl-thiophene-2-carboximidamide","C12 H12 N2 S","Cc1sc(cc1c2ccccc2)C(N)=N;Cc1c(cc(s1)C(=N)N)c2ccccc2","InChI=1S/C12H12N2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)","","2019-08-13","2020-06-12","5-methyl-4-phenyl-thiophene-2-carboximidamide","2020-06-17"],["9RR","5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine)","C27 H32 N8 O2","Nc1nc(CC)c(c(n1)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(CC)nc(nc4N)N;CCc1nc(N)nc(N)c1c2ccc(OCCCOc3ccc(cc3)c4c(N)nc(N)nc4CC)cc2;CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC","InChI=1S/C27H32N8O2/c1-3-20-22(24(28)34-26(30)32-20)16-6-10-18(11-7-16)36-14-5-15-37-19-12-8-17(9-13-19)23-21(4-2)33-27(31)35-25(23)29/h6-13H,3-5,14-15H2,1-2H3,(H4,28,30,32,34)(H4,29,31,33,35)","","2018-07-04","2019-04-19","5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine)","2019-04-24"],["LFR","beta-L-fructofuranose","C6 H12 O6","OC1C(O)C(OC1(O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1","beta-L-fructose; L-fructose; fructose; BETA-L-FRUCTO-FURANOSE","2006-03-09","2020-07-17","beta-L-fructofuranose",""],["9RS","N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea","C25 H22 N6 O2","n3(c(c(c2cc1cnccc1n2)c(C)n3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5;Cc1nn(c(O)c1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4;Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4","InChI=1S/C25H22N6O2/c1-16-23(22-13-18-15-26-11-10-21(18)29-22)24(32)31(30-16)20-9-5-6-17(12-20)14-27-25(33)28-19-7-3-2-4-8-19/h2-13,15,29,32H,14H2,1H3,(H2,27,28,33)","","2017-06-06","2017-06-16","N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea","2017-06-21"],["9RT","4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide","C13 H15 N3 O2 S","NCc1ccc(cc1)[S](=O)(=O)NCc2ccccn2;c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN","InChI=1S/C13H15N3O2S/c14-9-11-4-6-13(7-5-11)19(17,18)16-10-12-3-1-2-8-15-12/h1-8,16H,9-10,14H2","","2017-07-05","2018-07-27","4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide","2018-08-01"],["LFS","(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate","C21 H22 F N3 O2","Fc1ccc(cc1)C(OC(=O)Nc2ccc(cc2)C(C)C)Cn3ccnc3;CC(C)c1ccc(NC(=O)O[CH](Cn2ccnc2)c3ccc(F)cc3)cc1;CC(C)c1ccc(cc1)NC(=O)OC(Cn2ccnc2)c3ccc(cc3)F","InChI=1S/C21H22FN3O2/c1-15(2)16-5-9-19(10-6-16)24-21(26)27-20(13-25-12-11-23-14-25)17-3-7-18(22)8-4-17/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m1/s1","","2014-01-02","2014-07-25","(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate","2014-07-30"],["9RU","[1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium","C31 H41 Cl2 N5 O2 Ru S","Cc1cc(C)c(N2CC[N+](=C2[Ru](Cl)Cl)c3c(C)cc(CNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)cc3C)c(C)c1;Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCCC4C5C(CS4)NC(=O)N5)C)C","InChI=1S/C31H41N5O2S.2ClH.Ru/c1-19-12-20(2)29(21(3)13-19)35-10-11-36(18-35)30-22(4)14-24(15-23(30)5)16-32-27(37)9-7-6-8-26-28-25(17-39-26)33-31(38)34-28;;;/h12-15,25-26,28H,6-11,16-17H2,1-5H3,(H,32,37)(H2,33,34,38);2*1H;/q+1;;;+2/p-2/t25-,26-,28-;;;/m0.../s1","","2015-12-02","2016-08-24","[1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium","2016-08-31"],["LFT","(1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate","C21 H22 Cl N3 O2","Clc1ccc(cc1)C(OC(=O)Nc2ccc(cc2)C(C)C)Cn3ccnc3;CC(C)c1ccc(NC(=O)O[CH](Cn2ccnc2)c3ccc(Cl)cc3)cc1;CC(C)c1ccc(cc1)NC(=O)OC(Cn2ccnc2)c3ccc(cc3)Cl","InChI=1S/C21H22ClN3O2/c1-15(2)16-5-9-19(10-6-16)24-21(26)27-20(13-25-12-11-23-14-25)17-3-7-18(22)8-4-17/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m1/s1","","2014-01-02","2014-07-25","(1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate","2014-07-30"],["LFU","~{N}-(3-azanylpropyl)ethanamide","C5 H12 N2 O","CC(=O)NCCCN;CC(=O)NCCCN","InChI=1S/C5H12N2O/c1-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8)","","2022-07-05","2023-07-07","~{N}-(3-azanylpropyl)ethanamide","2023-07-12"],["9RV","N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide","C22 H23 N5 O2","n3(c(c(c2cc1cnccc1n2)cn3)O)c4cc(CNC(CCCC)=O)ccc4;CCCCC(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3;CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O","InChI=1S/C22H23N5O2/c1-2-3-7-21(28)24-12-15-5-4-6-17(10-15)27-22(29)18(14-25-27)20-11-16-13-23-9-8-19(16)26-20/h4-6,8-11,13-14,26,29H,2-3,7,12H2,1H3,(H,24,28)","","2017-06-06","2017-06-16","N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide","2017-06-21"],["9RW","(2~{S})-2-phenylpropanoic acid","C9 H10 O2","C[CH](C(O)=O)c1ccccc1;CC(c1ccccc1)C(=O)O","InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1","","2017-07-05","2024-09-27","(2~{S})-2-phenylpropanoic acid","2018-12-12"],["LFV","N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide","C28 H19 Cl2 F4 N5 O3","c5(ccc(c1oc(nn1)c4ccc(C(=O)NC(c2ccc(Cl)cc2Cl)Cn3ccnc3)cc4)c(c5)F)OCC(F)(F)F;Fc1cc(OCC(F)(F)F)ccc1c2oc(nn2)c3ccc(cc3)C(=O)N[CH](Cn4ccnc4)c5ccc(Cl)cc5Cl;c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)NC(Cn4ccnc4)c5ccc(cc5Cl)Cl","InChI=1S/C28H19Cl2F4N5O3/c29-18-5-7-20(22(30)11-18)24(13-39-10-9-35-15-39)36-25(40)16-1-3-17(4-2-16)26-37-38-27(42-26)21-8-6-19(12-23(21)31)41-14-28(32,33)34/h1-12,15,24H,13-14H2,(H,36,40)/t24-/m0/s1","","2018-03-19","2018-06-22","N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide","2018-06-27"],["LFW","(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate","C17 H11 I O4","Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3;Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I","InChI=1S/C17H11IO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3","","2019-08-14","2024-09-27","(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate","2020-05-20"],["9RX","2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid","C18 H14 N6 O3 S","OC(=O)c1ccccc1c2[nH]nc(SCC(=O)Nc3[nH]c4ccccc4n3)n2;c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O","InChI=1S/C18H14N6O3S/c25-14(21-17-19-12-7-3-4-8-13(12)20-17)9-28-18-22-15(23-24-18)10-5-1-2-6-11(10)16(26)27/h1-8H,9H2,(H,26,27)(H,22,23,24)(H2,19,20,21,25)","","2018-07-05","2020-09-04","2-[3-[2-(1~{H}-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1~{H}-1,2,4-triazol-5-yl]benzoic acid","2020-09-09"],["LFX","(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid","C18 H20 F N3 O4","O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)CC3)c(F)c4)C;C[CH]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O;CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O","InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1","Levofloxacin","2009-10-20","2021-03-01","(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid",""],["9RY","N-({3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea","C23 H19 N7 O2","n3(c(c(c2cc1c(ncnc1)n2)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5;Oc1n(ncc1c2[nH]c3ncncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4;c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O","InChI=1S/C23H19N7O2/c31-22-19(20-10-16-12-24-14-26-21(16)29-20)13-27-30(22)18-8-4-5-15(9-18)11-25-23(32)28-17-6-2-1-3-7-17/h1-10,12-14,31H,11H2,(H,24,26,29)(H2,25,28,32)","","2017-06-06","2017-06-16","N-({3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea","2017-06-21"],["LFY","1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide","C13 H14 F N3 O","n2(cnc(C(NCc1ccc(F)cc1)=O)c2)CC;CCn1cnc(c1)C(=O)NCc2ccc(F)cc2;CCn1cc(nc1)C(=O)NCc2ccc(cc2)F","InChI=1S/C13H14FN3O/c1-2-17-8-12(16-9-17)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18)","","2019-02-22","2019-05-03","1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide","2019-05-08"],["9RZ","3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide","C26 H31 N5 O5","CO[CH]1CCCN(C1)C(=O)c2n[nH]c3cc(O)c(cc23)C(=O)N(C)c4ccc(cc4)N5CCOCC5;CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCCC(C5)OC","InChI=1S/C26H31N5O5/c1-29(17-5-7-18(8-6-17)30-10-12-36-13-11-30)25(33)21-14-20-22(15-23(21)32)27-28-24(20)26(34)31-9-3-4-19(16-31)35-2/h5-8,14-15,19,32H,3-4,9-13,16H2,1-2H3,(H,27,28)/t19-/m0/s1","","2017-07-05","2018-04-13","3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide","2018-04-18"],["LFZ","2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid","C16 H10 F6 O2","OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F;c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F","InChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24)","","2019-08-14","2019-09-13","2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid","2019-09-18"],["9S0","(4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","C17 H17 N5 O5","O2c3c(C(c1cc(OC)c(c(c1)N(=O)=O)O)C(=C2N)C#N)c(CCC)nn3;CCCc1n[nH]c2OC(=C(C#N)[CH](c3cc(OC)c(O)c(c3)[N](=O)=O)c12)N;CCCc1c2c([nH]n1)OC(=C(C2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N","InChI=1S/C17H17N5O5/c1-3-4-10-14-13(9(7-18)16(19)27-17(14)21-20-10)8-5-11(22(24)25)15(23)12(6-8)26-2/h5-6,13,23H,3-4,19H2,1-2H3,(H,20,21)/t13-/m0/s1","","2018-07-05","2019-06-28","(4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","2019-07-03"],["LG","L-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1/f/h14,19-20H,11H2","","2003-10-16","2009-07-27","2-amino-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["9S1","N-({3-[4-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea","C24 H21 N7 O2","n3(c(c(c1cc2nc(ccc2n1)N)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5;Nc1ccc2[nH]c(cc2n1)c3cnn(c3O)c4cccc(CNC(=O)Nc5ccccc5)c4;c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O","InChI=1S/C24H21N7O2/c25-22-10-9-19-21(30-22)12-20(29-19)18-14-27-31(23(18)32)17-8-4-5-15(11-17)13-26-24(33)28-16-6-2-1-3-7-16/h1-12,14,29,32H,13H2,(H2,25,30)(H2,26,28,33)","","2017-06-06","2017-06-16","N-({3-[4-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea","2017-06-21"],["LG0","1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one","C28 H29 F3 N4 O2","FC(F)(F)c6nn(c1ccc(OC)cc1)c5C(=O)N(c2ccc(cc2)C3(CC3)CN4CCCC4)CCc56;COc1ccc(cc1)n2nc(c3CCN(C(=O)c23)c4ccc(cc4)C5(CC5)CN6CCCC6)C(F)(F)F;COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6","InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3","","2008-04-21","2011-06-04","1-(4-methoxyphenyl)-6-{4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one",""],["9S2","(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name)","C30 H38 N15 O19 P3","Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO)n6cnc7c(N)ncnc67)O[CH]([CH]4O[P](O)(O)=O)n8cnc9c(N)ncnc89)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4OP(=O)(O)O)n5cnc6c5ncnc6N)COP(=O)(O)OC7C(OC(C7O)n8cnc9c8ncnc9N)CO)O)O)N","InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(60-28)2-57-67(55,56)64-20-12(61-30(21(20)62-65(50,51)52)45-9-42-15-24(33)36-6-39-27(15)45)3-58-66(53,54)63-19-10(1-46)59-29(18(19)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18+,19?,20-,21-,28+,29-,30?/m1/s1","","2023-07-14","2024-05-31","(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name)","2024-06-05"],["LG1","3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM","C22 H17 F2 N2","Fc5cc4c2c1c(cc(cc1c3c([n+]2C)ccc(F)c3)C)N(c4cc5)C;CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C;Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F","InChI=1S/C22H17F2N2/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22/h4-11H,1-3H3/q+1","","2003-04-03","2011-06-04","3,11-difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridin-13-ium",""],["9S3","1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone","C30 H35 N3 O","O=C(N3c1ccc(cc1C(Nc2ccccc2)CC3C)c4ccc(cc4)CN5CCCCC5)C;C[CH]1C[CH](Nc2ccccc2)c3cc(ccc3N1C(C)=O)c4ccc(CN5CCCCC5)cc4;CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5","InChI=1S/C30H35N3O/c1-22-19-29(31-27-9-5-3-6-10-27)28-20-26(15-16-30(28)33(22)23(2)34)25-13-11-24(12-14-25)21-32-17-7-4-8-18-32/h3,5-6,9-16,20,22,29,31H,4,7-8,17-19,21H2,1-2H3/t22-,29+/m0/s1","","2014-08-31","2014-10-03","1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone","2014-10-08"],["LG2","6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID","C24 H29 N O2","O=C(O)c1cnc(cc1)C4(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC4;Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(O)=O)C(C)(C)CCC2(C)C;Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)","","2001-03-23","2011-06-04","6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid",""],["9S4","(2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid","C11 H17 F N O7","O=C(O)C=1C(F)C(C(C([O+]=1)CC(CO)O)NC(=O)C)O;CC(=O)N[CH]1[CH](O)[CH](F)C(=[O+][CH]1C[CH](O)CO)C(O)=O;CC(=O)NC1C([O+]=C(C(C1O)F)C(=O)O)CC(CO)O","InChI=1S/C11H16FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-9,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7+,8-,9-/m0/s1","","2017-06-07","2018-02-16","(2S,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(2S)-2,3-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name)","2018-02-21"],["LG3","PYRIMIDINE-2,4-DIAMINE","C4 H6 N4","n1c(N)ccnc1N;Nc1ccnc(N)n1;c1cnc(nc1N)N","InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)","","2005-11-04","2011-06-04","pyrimidine-2,4-diamine",""],["9S5","(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone","C19 H24 N6 O2","CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1;C[CH](Nc1ncc(cn1)C(=O)N2CCC3(CCOCC3)C2)c4cnccn4;CC(c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4","InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1","","2021-10-26","2022-01-07","(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone","2022-01-12"],["LG4","5-METHYLPYRIDIN-2-AMINE","C6 H8 N2","n1cc(ccc1N)C;Cc1ccc(N)nc1;Cc1ccc(nc1)N","InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)","2-AMINO-5-PICOLINE","2005-11-08","2020-06-17","5-methylpyridin-2-amine",""],["9S6","3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol","C30 H36 N2 O2","CC(C)N1CCN(CC1)c2ccc(cc2)C(c3cccc(O)c3)=C(CCCO)c4ccccc4;CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4cccc(c4)O","InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+","","2018-07-05","2019-04-05","3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol","2019-04-10"],["LG5","1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE","C6 H10 N2","NC=1C=CCN(C=1)C;CN1CC=CC(=C1)N;CN1CC=CC(=C1)N","InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3","1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE","2005-11-10","2021-03-01","1-methyl-1,6-dihydropyridin-3-amine",""],["9S7","5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid","C11 H18 F N O7","O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O;CC(=O)N[CH]1[CH](O)[CH](F)[CH](O[CH]1[CH](O)CCO)C(O)=O;CC(=O)NC1C(C(C(OC1C(CCO)O)C(=O)O)F)O","InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1","5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid","2017-06-07","2024-09-27","5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid","2018-02-21"],["LG6","L-GULURONIC ACID 6-PHOSPHATE","C6 H13 O10 P","O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4-,5-/m0/s1","","2002-02-06","2011-06-04","6-O-phosphono-L-gulonic acid",""],["9S8","Non-cubane [4Fe-4S]-cluster","Fe4 S4","S1[Fe]S[Fe]S[Fe]S[Fe]1;S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2","InChI=1S/4Fe.4S","","2017-07-06","2017-08-25","2,4$l^{3},6$l^{3},8-tetrathia-1$l^{4},3$l^{2},5$l^{2},7$l^{2}-tetraferratricyclo[4.2.0.0^{1,4}]octane","2017-08-30"],["LG7","4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE","C17 H13 N3 O3","N#Cc1c4c(c(cc1)N2C(=O)C3N(C2=O)CCC3O)cccc4;O[CH]1CCN2[CH]1C(=O)N(C2=O)c3ccc(C#N)c4ccccc34;c1ccc2c(c1)c(ccc2N3C(=O)C4C(CCN4C3=O)O)C#N","InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14-15,21H,7-8H2/t14-,15+/m1/s1","","2006-09-28","2011-06-04","4-[(7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]naphthalene-1-carbonitrile",""],["9SB","2-bromanylethanesulfonic acid","C2 H5 Br O3 S","O[S](=O)(=O)CCBr;C(CBr)S(=O)(=O)O","InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)","","2017-07-07","2017-08-25","2-bromanylethanesulfonic acid","2017-08-30"],["9SC","7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one","C23 H27 Cl2 N3 O2","Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl;c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4","InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)","Aripiprazole","2018-07-11","2021-03-01","7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one","2018-10-24"],["LG8","3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE","C28 H28 N4 O2","O=C3C(=C1C=[N+](c2ccccc12)C)C(C(=O)N3)=C5c4ccccc4[N+]6=C5CC(CN(C)C)CC6;CN(C)C[CH]1CC[N+]2=C(C1)C(c3ccccc23)=C4C(=O)NC(=O)C4=C5C=[N+](C)c6ccccc56;C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3CC(CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6","InChI=1S/C28H27N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3/q+1/p+1/b25-20+,26-24+/t17-/m1/s1","","2007-01-16","2011-06-04","(8R,10E)-8-[(dimethylamino)methyl]-10-[(4Z)-4-(1-methyl-3H-indolium-3-ylidene)-2,5-dioxopyrrolidin-3-ylidene]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]indolium",""],["9SD","(2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid","C11 H17 F N O7","O=C(O)C=1C(F)C(C(C([O+]=1)C(O)CCO)NC(=O)C)O;CC(=O)N[CH]1[CH](O)[CH](F)C(=[O+][CH]1[CH](O)CCO)C(O)=O;CC(=O)NC1C(C(C(=[O+]C1C(CCO)O)C(=O)O)F)O","InChI=1S/C11H16FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-9,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7-,8+,9+/m1/s1","","2017-06-07","2020-01-26","(2R,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(1R)-1,3-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name)","2018-02-21"],["LG9","(1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL","C9 H17 N O5","OC2C(C1N(C(C(O)C1O)CO)C2)CO;OC[CH]1[CH](O)CN2[CH](CO)[CH](O)[CH](O)[CH]12;C1C(C(C2N1C(C(C2O)O)CO)CO)O","InChI=1S/C9H17NO5/c11-2-4-6(13)1-10-5(3-12)8(14)9(15)7(4)10/h4-9,11-15H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1","CASUARINE ANALOGUE","2009-11-17","2021-03-01","(1R,2R,3R,6R,7R,7aR)-3,7-bis(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6-triol",""],["LGA","PYRIMIDIN-2-AMINE","C4 H5 N3","n1cccnc1N;Nc1ncccn1;c1cnc(nc1)N","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","","2008-03-31","2011-06-04","pyrimidin-2-amine",""],["9SE","(2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid","C6 H9 N O4 Se","C[C]1(N[CH](C[Se]1)C(O)=O)C(O)=O;CC1(NC(C[Se]1)C(=O)O)C(=O)O","InChI=1S/C6H9NO4Se/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1","","2015-12-17","2016-04-01","(2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid","2016-04-06"],["9SF","3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one","C16 H19 N3 O3","N=2c1ccccc1C(N(C=2)CC(=O)CC3NCCCC3O)=O;O[CH]1CCCN[CH]1CC(=O)CN2C=Nc3ccccc3C2=O;c1ccc2c(c1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O","InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m1/s1","","2018-07-17","2019-10-18","3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one","2019-10-23"],["LGB","2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met\nhylbenzonitrile","C15 H13 Cl F3 N3 O2","N#Cc3ccc(/N=C1OC(C(F)(F)F)C2N1CCC2O)c(c3Cl)C;Cc1c(Cl)c(ccc1N=C2O[CH]([CH]3[CH](O)CCN23)C(F)(F)F)C#N;Cc1c(ccc(c1Cl)C#N)N=C2N3CCC(C3C(O2)C(F)(F)F)O","InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1","3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM","2009-01-30","2020-06-17","2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile",""],["LGC","D-glucono-1,5-lactone","C6 H10 O6","O=C1OC(CO)C(O)C(O)C1O;OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(=O)O1)O)O)O)O","InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1","(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE; GLUCONOLACTONE","2000-08-25","2020-07-17","(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)",""],["9SG","(2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","C11 H17 F2 N O7","O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O;CC(=O)N[CH]1C[CH](F)[C](F)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1CC(C(OC1C(C(CO)O)O)(C(=O)O)F)F","InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1","(2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic\nacid","2017-06-07","2020-07-17","(2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid\n(non-preferred name)","2018-02-21"],["LGD","6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE","C14 H9 F9 N2 O","FC(F)(F)CN(c2ccc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F;FC(F)(F)CN(CC(F)(F)F)c1ccc2NC(=O)C=C(c2c1)C(F)(F)F;c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F","InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)","1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE","2006-08-01","2021-03-13","6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1H)-one",""],["9SI","[(2R,3S,4R,5R)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C18 H24 N6 O7 P","NCc1ccc(C[n+]2cnc3n(cnc3c2N)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O)cc1;c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C18H23N6O7P/c19-5-10-1-3-11(4-2-10)6-23-8-22-17-13(16(23)20)21-9-24(17)18-15(26)14(25)12(31-18)7-30-32(27,28)29/h1-4,8-9,12,14-15,18,20,25-26H,5-7,19H2,(H2,27,28,29)/p+1/t12-,14-,15-,18-/m1/s1","1-benzylamine-adenosine","2021-11-19","2022-08-22","[(2~{R},3~{S},4~{R},5~{R})-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-03-23"],["9SJ","5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid","C11 H18 F N O7","O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O;CC(=O)N[CH]1[CH](O)[CH](F)[CH](O[CH]1C[CH](O)CO)C(O)=O;CC(=O)NC1C(OC(C(C1O)F)C(=O)O)CC(CO)O","InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1","5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid","2017-06-07","2024-09-27","5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid","2018-02-21"],["LGE","methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate","C18 H17 Cl2 N3 O3","Clc3ccc(c1c(c(nc2C(=O)N(Cc12)CC(=O)OC)C)CN)c(Cl)c3;COC(=O)CN1Cc2c(nc(C)c(CN)c2c3ccc(Cl)cc3Cl)C1=O;Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN","InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3","","2010-12-21","2013-02-19","methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate",""],["9SK","5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one","C30 H28 F5 N3 O11 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4)[CH](O)[CH](OCC5=Cc6c(F)c(F)ccc6OC5=O)[CH]1O;c1cc(c(c2c1OC(=O)C(=C2)COC3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F","InChI=1S/C30H28F5N3O11S/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1","","2017-07-07","2018-05-18","5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one","2018-05-23"],["LGF","1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione","C27 H24 F2 N6 O5","COc1nc2[nH]cc(C(=O)C(=O)N3CC[CH](O)C3)c2cc1C(=O)N4CCn5c(C4)cnc5c6ccc(F)cc6F;COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CCC(C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4","InChI=1S/C27H24F2N6O5/c1-40-25-19(9-18-20(11-30-23(18)32-25)22(37)27(39)33-5-4-16(36)13-33)26(38)34-6-7-35-15(12-34)10-31-24(35)17-3-2-14(28)8-21(17)29/h2-3,8-11,16,36H,4-7,12-13H2,1H3,(H,30,32)/t16-/m1/s1","3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM","2007-06-25","2021-03-13","1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione",""],["LGG","N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE","C34 H51 N7 O11","O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O;CC(C)C[CH](NC(=O)[CH](CCC(N)=O)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(C)=O)C(=O)N[CH](CCC(N)=O)CCC(O)=O;CC(C)CC(C(=O)NC(CCC(=O)N)CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C","InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1","","2006-10-13","2024-09-27","N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(1S)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-L-leucinamide",""],["9SL","[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","C10 H17 N7 O4","C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O;NC(=O)OC[CH]1N=C(N)N2CCC(O)(O)[C]23N=C(N)N[CH]13;C1CN2C(=NC(C3C2(C1(O)O)N=C(N3)N)COC(=O)N)N","InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1","Saxitoxin","2018-07-18","2024-09-27","[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","2018-08-08"],["LGH","[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone","C22 H21 Cl N4 O5","[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2c(OC)cccc2)C)CC4;COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O;Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]","InChI=1S/C22H21ClN4O5/c1-14-20(21(24-32-14)16-5-3-4-6-19(16)31-2)22(28)26-11-9-25(10-12-26)18-8-7-15(27(29)30)13-17(18)23/h3-8,13H,9-12H2,1-2H3","","2011-04-27","2011-09-09","[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone",""],["9SM","(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid","C11 H17 F2 N O7","OC(C1(OC(CC(CO)O)C(C(C1F)O)NC(=O)C)F)=O;CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1C[CH](O)CO)C(O)=O;CC(=O)NC1C(OC(C(C1O)F)(C(=O)O)F)CC(CO)O","InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1","(2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c\narboxylic acid","2017-06-07","2020-07-17","(2R,3R,4R,5R,6S)-5-(acetylamino)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic\nacid (non-preferred name)","2018-02-21"],["9SN","6-fluoroanthraniloyl-AMP","C17 H18 F N6 O8 P","Nc1cccc(F)c1C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1cc(c(c(c1)F)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C17H18FN6O8P/c18-7-2-1-3-8(19)10(7)17(27)32-33(28,29)30-4-9-12(25)13(26)16(31-9)24-6-23-11-14(20)21-5-22-15(11)24/h1-3,5-6,9,12-13,16,25-26H,4,19H2,(H,28,29)(H2,20,21,22)/t9-,12-,13-,16-/m1/s1","","2017-07-07","2017-09-01","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-azanyl-6-fluoranyl-benzoate","2017-09-06"],["LGJ","N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE","C26 H18 F4 N6 O4 S","C[S](=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F)c(F)c2;CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F","InChI=1S/C26H18F4N6O4S/c1-41(39,40)21-8-3-2-7-17(21)14-9-10-19(18(27)12-14)31-24(37)20-13-22(26(28,29)30)35-36(20)16-6-4-5-15(11-16)23-32-25(38)34-33-23/h2-13H,1H3,(H,31,37)(H2,32,33,34,38)","","2009-12-17","2011-06-04","N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide",""],["LGK","6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE","C28 H21 F3 N6 O4 S","C[S](=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O;CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O","InChI=1S/C28H21F3N6O4S/c1-42(40,41)22-8-3-2-7-20(22)16-9-11-18(12-10-16)36-14-13-21-23(26(36)38)37(35-24(21)28(29,30)31)19-6-4-5-17(15-19)25-32-27(39)34-33-25/h2-12,15H,13-14H2,1H3,(H2,32,33,34,39)","","2009-12-17","2011-06-04","6-[4-(2-methylsulfonylphenyl)phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one",""],["9SO","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C15 H24 N5 O17 P3","OP(=O)(O)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O[P](O)(O)=O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)OP(=O)(O)O)O)O)O)N","InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(15(24)35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2023-07-14","2023-11-03","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2023-11-08"],["LGL","1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE","C32 H28 F3 N7 O2","FC(F)(F)c1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7;c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O","InChI=1S/C32H28F3N7O2/c33-32(34,35)28-26-14-17-41(23-12-10-20(11-13-23)25-9-2-1-6-22(25)19-40-15-3-4-16-40)30(43)27(26)42(39-28)24-8-5-7-21(18-24)29-36-31(44)38-37-29/h1-2,5-13,18H,3-4,14-17,19H2,(H2,36,37,38,44)","","2009-12-17","2011-06-04","1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one",""],["9SP","(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid","C11 H17 F2 N O7","OC(C1(OC(C(O)CCO)C(C(C1F)O)NC(=O)C)F)=O;CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[CH](O)CCO)C(O)=O;CC(=O)NC1C(C(C(OC1C(CCO)O)(C(=O)O)F)F)O","InChI=1S/C11H17F2NO7/c1-4(16)14-6-7(18)9(12)11(13,10(19)20)21-8(6)5(17)2-3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9-,11-/m1/s1","(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R})-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c\narboxylic acid","2017-06-07","2020-07-17","(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R)-1,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic\nacid (non-preferred name)","2018-02-21"],["LGM","3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE","C32 H31 N7 O2","Cc1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7;Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7","InChI=1S/C32H31N7O2/c1-21-27-15-18-38(25-13-11-22(12-14-25)28-10-3-2-7-24(28)20-37-16-4-5-17-37)31(40)29(27)39(36-21)26-9-6-8-23(19-26)30-33-32(41)35-34-30/h2-3,6-14,19H,4-5,15-18,20H2,1H3,(H2,33,34,35,41)","","2009-12-17","2011-06-04","3-methyl-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one",""],["9SQ","dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethaneselenato- 1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)","C7 H5 Fe2 N3 O3 Se2","O=C1[Fe]([Se]CNC[Se][Fe]1(C#N)C#[O+])(C#N)C#[O+];C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]","InChI=1S/C2H7NSe2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3-5H,1-2H2;;;;;;;/q;;;;2*+1;;","","2017-07-07","2017-11-24","","2017-11-29"],["9SR","(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)","C11 H17 N3 O8","N1C32C(C(N=C1N)O)C4C(CO)(C(C2O)OC(C3O)(O4)O)O;NC1=N[CH](O)[CH]2[CH]3O[C]4(O)O[CH]([CH](O)[C]2(N1)[CH]4O)[C]3(O)CO;C(C1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O)O","InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1","Tetrodotoxin","2018-07-18","2021-03-01","(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)","2018-08-08"],["LGN","N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide","C62 H117 N O18","O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1","Isoglobotrihexosylceramide","2011-05-13","2021-03-01","N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide",""],["9SS","(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile","C18 H19 N7 O","O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)N1CCCC(C#N)C1;O=C(N1CCC[CH](C1)C#N)c2cnc(NC3(CC3)c4cncnc4)nc2;c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCCC(C4)C#N","InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)/t13-/m0/s1","","2021-10-26","2022-01-07","(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile","2022-01-12"],["LGO","4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide","C22 H20 N6 O5 S2","NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cnn(c2ccc(cc2)S(N)(=O)=O)c1c1ccccc1;N[S](=O)(=O)c1ccc(NC(=O)Nc2cnn(c3ccc(cc3)[S](N)(=O)=O)c2c4ccccc4)cc1;c1ccc(cc1)c2c(cnn2c3ccc(cc3)S(=O)(=O)N)NC(=O)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29)","","2023-08-15","2024-11-22","4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide","2024-11-27"],["9ST","4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one","C17 H21 Br N4 O","CN1C[CH](C[CH](C1)c2ccccc2)NC3=C(Br)C(=O)N(C)N=C3;CN1CC(CC(C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3","InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1","","2016-12-06","2017-12-15","4-bromanyl-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one","2017-12-20"],["LGP","N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE","C9 H14 N5 O7 P","O=P(O)(O)OCC(OCn1c2N=C(NC(=O)c2nc1)N)CO;NC1=Nc2n(CO[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1COC(CO)COP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-21-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1","LINEAR DECARBON-C2* GUANOSINE-5'-MONOPHOSPHATE","1999-07-08","2020-06-17","(2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl dihydrogen phosphate",""],["9SU","2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one","C20 H23 Cl N4 O","C15(CNc2c1c(ccc2)Cl)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5;Clc1cccc2NCC3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)c12;c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2","InChI=1S/C20H23ClN4O/c21-14-5-3-7-16-17(14)20(12-22-16)8-10-25(11-9-20)19-23-15-6-2-1-4-13(15)18(26)24-19/h3,5,7,22H,1-2,4,6,8-12H2,(H,23,24,26)","","2018-07-19","2019-03-29","2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one","2019-04-03"],["LGQ","6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine","C18 H13 F3 N6","Nc1nc(nc2[nH]nc(Nc3ccc(cc3)C(F)(F)F)c12)c4ccccc4;c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N","InChI=1S/C18H13F3N6/c19-18(20,21)11-6-8-12(9-7-11)23-16-13-14(22)24-15(25-17(13)27-26-16)10-4-2-1-3-5-10/h1-9H,(H4,22,23,24,25,26,27)","","2019-08-15","2019-08-30","6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine","2019-09-04"],["LGR","2-[acetyl(methyl)amino]benzoic acid","C10 H11 N O3","CN(C(C)=O)c1ccccc1C(=O)O;CN(C(C)=O)c1ccccc1C(O)=O;CC(=O)N(C)c1ccccc1C(=O)O","InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)","","2022-03-04","2022-03-11","2-[acetyl(methyl)amino]benzoic acid","2022-03-16"],["9SV","2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione","C21 H20 N2 O2 S","C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C;CN1CCN(CC1)C2=C(Sc3ccccc3)C(=O)c4ccccc4C2=O;CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4","InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3","BOUND FORM","2017-06-07","2024-09-27","2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione","2017-06-21"],["LGS","(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol","C15 H28 N2 O5","N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC;CCCCCCCCN=C1OC[CH]2[CH](O)[CH](O)[CH](O)[CH](O)N12;CCCCCCCCN=C1N2C(CO1)C(C(C(C2O)O)O)O","InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1","","2009-02-24","2011-06-04","(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol",""],["9SW","methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid","C21 H41 O6 P","CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC;CCCCCCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC","InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1","","2017-07-09","2024-09-27","methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid","2018-01-24"],["LGT","L-GLUCARIC ACID","C6 H10 O8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O","InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1","","2007-05-15","2011-06-04","L-glucaric acid",""],["9SY","[(2R,3S,4R,5R)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C17 H21 N5 O7 P","Nc1c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2nc[n+]1Cc4ccccc4;c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C17H20N5O7P/c18-15-12-16(20-8-21(15)6-10-4-2-1-3-5-10)22(9-19-12)17-14(24)13(23)11(29-17)7-28-30(25,26)27/h1-5,8-9,11,13-14,17-18,23-24H,6-7H2,(H2,25,26,27)/p+1/t11-,13-,14-,17-/m1/s1","1-benzyl-adenosine derivative","2021-11-19","2022-08-22","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-03-23"],["LGU","alpha-L-gulopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4+,6+/m0/s1","alpha-L-guluronic acid; L-guluronic acid; guluronic acid; ALPHA-L-GULURONATE","2002-12-18","2020-07-17","alpha-L-gulopyranuronic acid",""],["9SZ","(1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene","C42 H32 O8 P2","O[P](O)(=O)Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18;c1ccc2c(c1)C3CC2c4c3cc5c(c4)C6CC5c7c6c(c8c(c7OP(=O)(O)O)C9CC8c1c9cc2c(c1)C1CC2c2c1cccc2)OP(=O)(O)O","InChI=1S/C42H32O8P2/c43-51(44,45)49-41-37-33-15-34(30-12-26-22-9-21(25(26)11-29(30)33)17-5-1-2-6-18(17)22)38(37)42(50-52(46,47)48)40-36-16-35(39(40)41)31-13-27-23-10-24(28(27)14-32(31)36)20-8-4-3-7-19(20)23/h1-8,11-14,21-24,33-36H,9-10,15-16H2,(H2,43,44,45)(H2,46,47,48)/t21-,22+,23+,24-,33-,34+,35+,36-","","2017-07-10","2024-01-03","","2017-07-26"],["LGV","N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide","C19 H17 F N8 O","Fc1ncc(cc1)C(=O)NCc3nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5;Fc1ccc(cn1)C(=O)NCc2nn3cccc3c(Nc4[nH]nc(c4)C5CC5)n2;c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5","InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)","","2010-07-19","2011-06-04","N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide",""],["9T0","5-[(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid","C25 H25 Cl2 F3 N3 O11 P","OC(=O)CCCC(OCC(NC(C(Cl)Cl)=O)C(c1ccc([N+]([O-])=O)cc1)OP(Cc2ccc(cc2)NC(C(F)(F)F)=O)(O)=O)=O;OC(=O)CCCC(=O)OC[CH](NC(=O)C(Cl)Cl)[CH](O[P](O)(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c2ccc(cc2)[N+]([O-])=O;c1cc(ccc1CP(=O)(O)OC(c2ccc(cc2)[N+](=O)[O-])C(COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F","InChI=1S/C25H25Cl2F3N3O11P/c26-22(27)23(37)32-18(12-43-20(36)3-1-2-19(34)35)21(15-6-10-17(11-7-15)33(39)40)44-45(41,42)13-14-4-8-16(9-5-14)31-24(38)25(28,29)30/h4-11,18,21-22H,1-3,12-13H2,(H,31,38)(H,32,37)(H,34,35)(H,41,42)/t18-,21-/m1/s1","","2018-07-21","2019-07-19","5-{[(2R,3R)-2-[(dichloroacetyl)amino]-3-{[(R)-hydroxy({4-[(trifluoroacetyl)amino]phenyl}methyl)phosphoryl]oxy}-3-(4-nitrophenyl)propyl]oxy}-5-oxopentanoic acid","2019-07-24"],["9T1","5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid","C11 H16 F N O7","O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O;C[CH](O)[CH](O)[CH]1O[CH]([CH](F)C(=O)[CH]1NC(C)=O)C(O)=O;CC(C(C1C(C(=O)C(C(O1)C(=O)O)F)NC(=O)C)O)O","InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1","5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid","2017-06-07","2024-09-27","5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid","2018-02-21"],["LGW","N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine","C22 H21 F N8 O","Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(c2)C3CC3)c5cccn5n4;Fc1ccc(cn1)C(=O)N2CCC[CH]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6)n3;c1cc2c(nc(nn2c1)C3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6","InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m0/s1","","2010-07-19","2011-06-04","[(2S)-2-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}pyrrolidin-1-yl](6-fluoropyridin-3-yl)methanone",""],["LGX","N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine","C22 H21 F N8 O","Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(c2)C3CC3)c5cccn5n4;Fc1ccc(cn1)C(=O)N2CCC[CH]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6)n3;c1cc2c(nc(nn2c1)C3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6","InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m1/s1","","2010-07-19","2011-06-04","[(2R)-2-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}pyrrolidin-1-yl](6-fluoropyridin-3-yl)methanone",""],["9T2","ethyl ~{N}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate","C16 H12 F N3 O4 S2","CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c2sc3ccccc3n2;CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F","InChI=1S/C16H12FN3O4S2/c1-2-24-16(23)20-12(21)8-7-11(17)26-14(8)19-13(22)15-18-9-5-3-4-6-10(9)25-15/h3-7H,2H2,1H3,(H,19,22)(H,20,21,23)","","2017-07-10","2018-05-11","ethyl ~{N}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate","2018-05-16"],["LGY","(E)-N~6~-(4-oxobutylidene)-L-lysine","C10 H18 N2 O3","O=C(O)C(N)CCCC/N=C/CCC=O;N[CH](CCCCN=CCCC=O)C(O)=O;C(CCN=CCCC=O)CC(C(=O)O)N","InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1","","2010-07-16","2024-09-27","(E)-N~6~-(4-oxobutylidene)-L-lysine",""],["9T4","(4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide","C21 H18 Cl2 N2 O3","CC1=C([CH](c2occc2)C3=C(CCCC3=O)N1)C(=O)Nc4cc(Cl)ccc4Cl;CC1=C(C(C2=C(N1)CCCC2=O)c3ccco3)C(=O)Nc4cc(ccc4Cl)Cl","InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)/t20-/m0/s1","","2023-04-19","2024-01-19","(4~{R})-~{N}-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide","2024-01-24"],["9T6","4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide","C18 H22 N4 O2","NC(=O)c1cnc2[nH]ccc2c1N[CH]3[CH]4CC5C[CH]3CC(O)(C5)C4;c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O","InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9-,10-,11+,14-,18-","","2018-07-25","2018-08-10","4-[[(1~{S},3~{R})-5-oxidanyl-2-adamantyl]amino]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide","2018-08-15"],["LGZ","CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN-\n3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER","C36 H39 N3 O7","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4CC5OC(=O)N)Cc6ccccc6;NC(=O)O[CH]1Cc2ccccc2[CH]1C3=CN[C](C[CH](O)[CH](Cc4ccccc4)NC(=O)O[CH]5CCOC5)(Cc6ccccc6)C3=O;c1ccc(cc1)CC(C(CC2(C(=O)C(=CN2)C3c4ccccc4CC3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6","InChI=1S/C36H39N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,21,26,29-32,38,40H,15-20,22H2,(H2,37,42)(H,39,43)/t26-,29+,30+,31-,32-,36+/m1/s1","LGZ479 INHIBITOR","2003-01-21","2020-06-17","(3R)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate",""],["LH0","~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide","C17 H14 Cl2 F2 N4 O S","CC(C)C(=O)Nc1sc(cn1)c2cc(nn2c3c(Cl)cccc3Cl)C(F)F;CC(C)C(=O)Nc1ncc(s1)c2cc(nn2c3c(cccc3Cl)Cl)C(F)F","InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)","","2022-07-05","2022-08-22","~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide","2022-08-10"],["9T7","(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid","C11 H17 F2 N O7","OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O;C[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(C1C(C(C(C(O1)(C(=O)O)F)F)O)NC(=O)C)O)O","InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1","(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa\nne-2-carboxylic acid","2017-06-07","2020-07-17","(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic\nacid (non-preferred name)","2018-02-21"],["LH2","4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide","C16 H18 B N3 O2","NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O2)cc1;B1(c2ccccc2CC(O1)CNc3ccc(cc3)C(=N)N)O","InChI=1S/C16H18BN3O2/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14/h1-8,14,20-21H,9-10H2,(H3,18,19)/t14-/m0/s1","","2019-08-15","2024-09-27","4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide","2019-09-25"],["9T8","3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium","C8 H21 N3 O","C[NH+](C)CCCNC(=O)CC[NH3+];C[NH+](C)CCCNC(=O)CC[NH3+]","InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2","","2017-07-10","2017-12-01","3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium","2017-12-06"],["LH3","methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate","C32 H34 N4 O6 S","O=C1NC2C(SCC2N1)CCCCC(=O)NNc5c(c3ccc(C(=O)OC)cc3)cccc5c4ccc(C(=O)OC)cc4;COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)c5ccc(cc5)C(=O)OC;COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCCC3C4C(CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC","InChI=1S/C32H34N4O6S/c1-41-30(38)21-14-10-19(11-15-21)23-6-5-7-24(20-12-16-22(17-13-20)31(39)42-2)28(23)36-35-27(37)9-4-3-8-26-29-25(18-43-26)33-32(40)34-29/h5-7,10-17,25-26,29,36H,3-4,8-9,18H2,1-2H3,(H,35,37)(H2,33,34,40)/t25-,26-,29-/m0/s1","","2014-02-06","2014-08-01","dimethyl 2'-(2-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}hydrazinyl)-1,1':3',1''-terphenyl-4,4''-dicarboxylate","2014-08-06"],["9T9","3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one","C29 H28 F N5 O4 S","c1c(c7c(cc1NCCN2CCN(CC2)C)Oc3c(c(nc3Cc5cc4OCOc4cc5)c6nccs6)C7=O)F;CN1CCN(CCNc2cc(F)c3C(=O)c4c([nH]c(Cc5ccc6OCOc6c5)c4Oc3c2)c7sccn7)CC1;CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3","InChI=1S/C29H28FN5O4S/c1-34-7-9-35(10-8-34)6-4-31-18-14-19(30)24-23(15-18)39-28-20(12-17-2-3-21-22(13-17)38-16-37-21)33-26(25(28)27(24)36)29-32-5-11-40-29/h2-3,5,11,13-15,31,33H,4,6-10,12,16H2,1H3","","2018-07-26","2018-09-14","3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one","2018-09-19"],["LH4","5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide","C36 H44 N6 O8 S3","O=C1NC2C(SCC2N1)CCCCC(=O)NNc7c(c3ccc(cc3)S(=O)(=O)N4CCOCC4)cccc7c5ccc(cc5)S(=O)(=O)N6CCOCC6;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NNc3c(cccc3c4ccc(cc4)[S](=O)(=O)N5CCOCC5)c6ccc(cc6)[S](=O)(=O)N7CCOCC7;c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCCC4C5C(CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7","InChI=1S/C36H44N6O8S3/c43-33(7-2-1-6-32-35-31(24-51-32)37-36(44)38-35)39-40-34-29(25-8-12-27(13-9-25)52(45,46)41-16-20-49-21-17-41)4-3-5-30(34)26-10-14-28(15-11-26)53(47,48)42-18-22-50-23-19-42/h3-5,8-15,31-32,35,40H,1-2,6-7,16-24H2,(H,39,43)(H2,37,38,44)/t31-,32-,35-/m0/s1","","2014-02-06","2014-08-01","N'-[4,4''-bis(morpholin-4-ylsulfonyl)-1,1':3',1''-terphenyl-2'-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanehydrazide","2014-08-06"],["9TA","1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ETHYLAMINO]-ANTHRAQUINONE","C14 H8 O2","O=C2c1c(cccc1)C(=O)c3c2cccc3;O=C1c2ccccc2C(=O)c3ccccc13;c1ccc2c(c1)C(=O)c3ccccc3C2=O","InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H","","2000-07-28","2011-06-04","anthracene-9,10-dione",""],["LH5","4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide","C21 H20 B N3 O3","NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3;B1(c2ccccc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N)O","InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m0/s1","","2019-08-15","2024-09-27","4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide","2019-09-25"],["9TB","(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","C19 H24 F N3 O8","OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)NCc1ccc(F)cc1)C(O)=O)C(O)=O;c1cc(ccc1CNC(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F","InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)10-21-15(24)3-1-2-13(17(27)28)22-19(31)23-14(18(29)30)8-9-16(25)26/h4-7,13-14H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1","CFBzOG","2017-07-10","2021-03-01","(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid","2018-08-01"],["9TC","(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone","C18 H22 N6 O2","O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1;O=C(N1CCC2(CCOCC2)C1)c3cnc(NCc4cnccn4)nc3;c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4","InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)","","2021-10-26","2022-01-07","(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone","2022-01-12"],["LH6","(2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid","C17 H20 N2 O2","CN[CH](Cc1c[nH]c2cccc(C=CC(C)=C)c12)C(O)=O;CC(=C)C=Cc1cccc2c1c(c[nH]2)CC(C(=O)O)NC","InChI=1S/C17H20N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-8,10,15,18-19H,1,9H2,2-3H3,(H,20,21)/b8-7+/t15-/m0/s1","","2022-11-20","2024-12-27","(2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid","2025-01-01"],["LH7","1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide","C16 H18 F N3 O3 S","n2n(C1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)=O;Cc1n(ncc1C(=O)NCc2ccc(F)cc2)[CH]3CC[S](=O)(=O)C3;Cc1c(cnn1C2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F","InChI=1S/C16H18FN3O3S/c1-11-15(9-19-20(11)14-6-7-24(22,23)10-14)16(21)18-8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)/t14-/m0/s1","","2019-02-22","2019-05-03","1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide","2019-05-08"],["9TD","1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide","C19 H20 N3 O8 P","C(c1cnc(c(c1C=[NH+][C-](C(O)=O)CC2c3c(NC2=O)cccc3)O)C)OP(O)(=O)O;Cc1ncc(CO[P](O)(O)=O)c(C=[NH+][C-](C[CH]2C(=O)Nc3ccccc23)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=[NH+][C-](CC2c3ccccc3NC2=O)C(=O)O)O","InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,21,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/t13-/m1/s1","","2017-06-07","2018-06-01","1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide","2018-06-06"],["LH8","4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide","C15 H15 B N2 O2","NC(=N)c1ccc(cc1)[CH]2Cc3ccccc3B(O)O2;B1(c2ccccc2CC(O1)c3ccc(cc3)C(=N)N)O","InChI=1S/C15H15BN2O2/c17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16(19)20-14/h1-8,14,19H,9H2,(H3,17,18)/t14-/m0/s1","","2019-08-15","2019-09-20","4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide","2019-09-25"],["9TE","4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide","C17 H18 N2 O4 S","COc1cccc(Oc2ccc3N(CN[S](=O)(=O)c3c2)C4CC4)c1;COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4","InChI=1S/C17H18N2O4S/c1-22-13-3-2-4-14(9-13)23-15-7-8-16-17(10-15)24(20,21)18-11-19(16)12-5-6-12/h2-4,7-10,12,18H,5-6,11H2,1H3","","2017-07-10","2017-12-29","4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide","2018-01-03"],["LH9","[(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate","C20 H38 O4","CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO;CCCCCCCC=CCCCCCCCC(=O)OCC(CO)O","InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h8-9,19,21-22H,2-7,10-18H2,1H3/t19-/m0/s1","","2020-09-11","2020-12-11","[(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate","2020-12-16"],["9TF","Purpurin","C14 H8 O5","c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O;Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O;c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O","InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H","","2018-07-27","2019-04-12","1,2,4-trihydroxyanthracene-9,10-dione","2019-04-17"],["LHA","DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162","C37 H65 N7 O16","O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O)C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO)C(O)C(O)C4N)C(N)C5)C(O)CCN;NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N)[CH]3OCCNCCc5ccccc5)[CH]1O;c1ccc(cc1)CCNCCOC2C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)N)N)NC(=O)C(CCN)O)O)CO)OC5C(C(C(C(O5)CN)O)O)N","InChI=1S/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,35+,36+,37-/m0/s1","(2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEO\nXY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTA\nNAMIDE","2007-06-05","2020-06-17","(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide",""],["9TG","3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid","C15 H16 B N O5 S","c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2;OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2sccc2;B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O","InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1","boronic acid transition state inhibitor EC04","2017-06-07","2024-09-27","3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid","2017-11-29"],["LHB","5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one","C17 H23 N9 O5","COCN1C=C(CNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N;COCN1C=C(C(=NC1=O)N)CNCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H23N9O5/c1-30-7-25-4-8(13(18)24-17(25)29)2-20-3-9-11(27)12(28)16(31-9)26-6-23-10-14(19)21-5-22-15(10)26/h4-6,9,11-12,16,20,27-28H,2-3,7H2,1H3,(H2,18,24,29)(H2,19,21,22)/t9-,11-,12-,16-/m1/s1","","2016-09-13","2017-09-15","5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one","2017-09-20"],["9TH","pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride","C28 H31 Cl Ir N3 O4 S2","O=S(=O)(N)c1ccc(cc1)c2cc3n(cc2)[Ir+3]9876([Cl-])([N-](C3)S(=O)(=O)c4ccccc4)c5(c9(c8(c7(C)[C-]56C)C)C)C;[Cl-].[Ir+3].C[C-]1C(=C(C)C(=C1C)C)C.N[S](=O)(=O)c2ccc(cc2)c3ccnc(C[N-][S](=O)(=O)c4ccccc4)c3;C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C","InChI=1S/C18H16N3O4S2.C10H15.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18;1-6-7(2)9(4)10(5)8(6)3;;/h1-12H,13H2,(H2,19,22,23);1-5H3;1H;/q2*-1;;+3/p-1","","2013-02-27","2014-09-05","chloro[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienylato][4-(2-{[(phenylsulfonyl)amino-kappaN]methyl}pyridin-4-yl-kappaN)benzenesulfonamidato]iridium","2013-10-30"],["LHC","(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid","C8 H12 N4 O3","O=C1N=C(C=CN1CCC(C(=O)O)N)N;N[CH](CCN1C=CC(=NC1=O)N)C(O)=O;C1=CN(C(=O)N=C1N)CCC(C(=O)O)N","InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1","","2008-02-12","2024-09-27","(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid",""],["9TI","2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine","C11 H10 N4","Cc1nc2ccccn2c1c3[nH]ncc3;Cc1c(n2ccccc2n1)c3ccn[nH]3","InChI=1S/C11H10N4/c1-8-11(9-5-6-12-14-9)15-7-3-2-4-10(15)13-8/h2-7H,1H3,(H,12,14)","","2021-11-19","2022-08-22","2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine","2022-01-19"],["LHD","2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium","C18 H26 N9 O5","COCN1C=C(C[NH2+]CC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N;COCN1C=C(C(=NC1=O)N)C[NH2+]CCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H25N9O5/c1-31-8-26-5-9(14(19)25-18(26)30)4-21-3-2-10-12(28)13(29)17(32-10)27-7-24-11-15(20)22-6-23-16(11)27/h5-7,10,12-13,17,21,28-29H,2-4,8H2,1H3,(H2,19,25,30)(H2,20,22,23)/p+1/t10-,12-,13-,17-/m1/s1","","2016-09-14","2017-09-15","2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium","2017-09-20"],["9TJ","3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid","C17 H17 B N4 O5 S","C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3;OB(O)[CH](Cn1cc(nn1)c2cccc(c2)C(O)=O)NC(=O)Cc3sccc3;B(C(Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O","InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1","boronic acid transition state inhibitor S03043","2017-06-07","2024-09-27","3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid","2017-11-29"],["LHE","N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline","C12 H26 N2 O3","O=C(O)C(NCC(O)C(N)CC(C)C)CCC;CCC[CH](NC[CH](O)[CH](N)CC(C)C)C(O)=O;CCCC(C(=O)O)NCC(C(CC(C)C)N)O","InChI=1S/C12H26N2O3/c1-4-5-10(12(16)17)14-7-11(15)9(13)6-8(2)3/h8-11,14-15H,4-7,13H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1","","2014-06-23","2024-09-27","N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline","2015-07-01"],["9TK","1-methylimidazole-2-carboxylic acid","C5 H6 N2 O2","Cn1ccnc1C(O)=O;Cn1ccnc1C(=O)O","InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)","","2017-07-11","2017-12-01","1-methylimidazole-2-carboxylic acid","2017-12-06"],["LHF","5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one","C24 H28 Br N9 O5","NC1=NC(=O)N(CCOc2ccc(Br)cc2)C=C1CNCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)Br","InChI=1S/C24H28BrN9O5/c25-14-1-3-15(4-2-14)38-8-7-33-10-13(20(26)32-24(33)37)9-28-6-5-16-18(35)19(36)23(39-16)34-12-31-17-21(27)29-11-30-22(17)34/h1-4,10-12,16,18-19,23,28,35-36H,5-9H2,(H2,26,32,37)(H2,27,29,30)/t16-,18-,19-,23-/m1/s1","","2016-09-13","2017-09-15","5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one","2017-09-20"],["9TL","2-azaniumylethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate","C41 H78 N O8 P","CCCCCCCC[C@H]=[C@H]CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[NH3+];CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1","","2018-07-30","2021-10-04","2-azaniumylethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate","2019-03-20"],["9TM","(2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid","C11 H17 F N O7","O=C(O)C=1C(F)C(C(C([O+]=1)C(O)C(C)O)NC(=O)C)O;C[CH](O)[CH](O)[CH]1[O+]=C([CH](F)[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(C1C(C(C(C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O","InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-8,10,14,16-17H,1-2H3,(H-,13,15,18,19)/p+1/t3-,5-,6-,7-,8+,10-/m1/s1","","2017-06-07","2018-02-16","(2R,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(1R,2R)-1,2-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name)","2018-02-21"],["LHG","1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE","C38 H75 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1","","2001-06-25","2011-06-04","(2R)-3-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate",""],["LHH","[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C12 H18 N3 O9 P","CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)NC(C)=O;CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)OC","InChI=1S/C12H18N3O9P/c1-6(16)13-8-3-4-15(12(18)14-8)11-10(22-2)9(17)7(24-11)5-23-25(19,20)21/h3-4,7,9-11,17H,5H2,1-2H3,(H2,19,20,21)(H,13,14,16,18)/t7-,9-,10-,11-/m1/s1","","2019-08-15","2020-02-14","[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2020-02-19"],["9TN","DEBUTANOYL THAPSIGARGIN","C30 H44 O11","CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](O)C[C](C)(OC(C)=O)[CH]12)C;CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)O)(C(C(=O)O3)(C)O)O","InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9+/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1","","2011-04-11","2023-09-23","[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{E})-2-methylbut-2-enoyl]oxy-3,3~{a},4-tris(oxidanyl)-2-oxidanylidene-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate",""],["LHI","[(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate","C93 H155 N7 O23 P2 S","C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)O[P](O)(=O)O[P](O)(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)NCCOCCOCCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34;CC(C(=O)NCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)NC(=O)C(C)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C","InChI=1S/C93H155N7O23P2S/c1-62(2)29-19-30-63(3)31-20-32-64(4)33-21-34-65(5)35-22-36-66(6)37-23-38-67(7)39-24-40-68(8)41-25-42-69(9)43-26-44-70(10)45-27-46-71(11)47-28-48-72(12)51-54-117-124(111,112)123-125(113,114)122-92-84(98-76(16)104)88(87(79(60-102)120-92)121-91-83(97-75(15)103)86(107)85(106)78(59-101)119-91)118-74(14)90(109)96-73(13)89(108)95-53-56-116-58-57-115-55-52-94-81(105)50-18-17-49-80-82-77(61-126-80)99-93(110)100-82/h29,31,33,35,37,39,41,43,45,47,51,73-74,77-80,82-88,91-92,101-102,106-107H,17-28,30,32,34,36,38,40,42,44,46,48-50,52-61H2,1-16H3,(H,94,105)(H,95,108)(H,96,109)(H,97,103)(H,98,104)(H,111,112)(H,113,114)(H2,99,100,110)/b63-31-,64-33?,65-35?,66-37?,67-39-,68-41-,69-43-,70-45?,71-47?,72-51-/t73-,74+,77-,78+,79+,80-,82-,83+,84+,85-,86+,87+,88+,91-,92+/m0/s1","","2012-01-10","2012-04-13","[(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate",""],["9TO","N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine","C19 H16 N6 O","c1ncccc1c4c(c3ccnc(Nc2ccc(OC)cc2)n3)cnn4;COc1ccc(Nc2nccc(n2)c3c[nH]nc3c4cccnc4)cc1;COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4","InChI=1S/C19H16N6O/c1-26-15-6-4-14(5-7-15)23-19-21-10-8-17(24-19)16-12-22-25-18(16)13-3-2-9-20-11-13/h2-12H,1H3,(H,22,25)(H,21,23,24)","","2018-07-30","2019-03-15","N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine","2019-03-20"],["LHJ","N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide","C24 H20 F2 N4 O2","CN1C(=O)C(=Cc2cnn(c3ccc(F)cc3F)c12)c4cc(ccc4C)C(=O)NC5CC5;Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5","InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)","","2010-01-29","2011-06-04","N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-benzamide",""],["9TP","(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol\n-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside","C32 H32 O13 S","O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7;COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](O[CH]4O[CH]5CO[CH](O[CH]5[CH](O)[CH]4O)c6sccc6)c7cc8OCOc8cc27;COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4","InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1","Teniposide","2013-07-01","2020-06-17","(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside","2013-07-24"],["LHK","(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid","C9 H14 N2 O10 S","OC(=O)CC[CH](N[S](=O)(=O)N[CH](CC(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NS(=O)(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C9H14N2O10S/c12-6(13)2-1-4(8(16)17)10-22(20,21)11-5(9(18)19)3-7(14)15/h4-5,10-11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t4-,5-/m0/s1","","2019-08-15","2020-08-21","(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid","2020-08-26"],["9TQ","5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid","C29 H30 N2 O11 S","OC[CH]1O[CH](OCCNC(=S)Nc2ccc([CH]3C4=C(CC(=O)C=C4)Oc5cc(O)ccc35)c(c2)C(O)=O)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1NC(=S)NCCOC2C(C(C(C(O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O","InChI=1S/C29H30N2O11S/c32-12-22-24(35)25(36)26(37)28(42-22)40-8-7-30-29(43)31-13-1-4-16(19(9-13)27(38)39)23-17-5-2-14(33)10-20(17)41-21-11-15(34)3-6-18(21)23/h1-6,9-10,22-26,28,32-33,35-37H,7-8,11-12H2,(H,38,39)(H2,30,31,43)/t22-,23?,24+,25+,26-,28+/m1/s1","","2017-07-11","2017-09-29","5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid","2017-10-04"],["LHL","3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one","C25 H28 Cl2 N6 O2","CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1;CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C","InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12-19)29-24-28-15-17-16-33(25(34)31(3)23(17)30-24)22-20(26)7-6-8-21(22)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,29,30)","","2009-11-12","2011-06-04","3-(2,6-dichlorophenyl)-7-[[4-(2-diethylaminoethyloxy)phenyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one",""],["9TR","N6-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine","C14 H19 N5 O4","c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-];N[CH](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O;c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCCC(C(=O)O)N","InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1","","2018-07-31","2019-04-12","N~6~-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine","2019-04-17"],["9TS","(2E)-pent-2-enoic acid","C5 H8 O2","C(C=CCC)(O)=O;CCC=CC(O)=O;CCC=CC(=O)O","InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+","","2017-06-07","2024-09-27","(2E)-pent-2-enoic acid","2017-06-21"],["LHM","N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide","C15 H16 F N3 O","N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3;Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1;c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F","InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide","2019-05-08"],["LHO","2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione","C15 H18 N O6 P S","O=P(O)(O)OCC3OC(N2C(=S)c1c(cc(cc1)C)C=C2)CC3O;Cc1ccc2C(=S)N(C=Cc2c1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;Cc1ccc2c(c1)C=CN(C2=S)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C15H18NO6PS/c1-9-2-3-11-10(6-9)4-5-16(15(11)24)14-7-12(17)13(22-14)8-21-23(18,19)20/h2-6,12-14,17H,7-8H2,1H3,(H2,18,19,20)/t12-,13+,14+/m0/s1","","2011-08-19","2012-06-29","2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione",""],["9TT","1-methylindol-5-amine","C9 H10 N2","Cn1ccc2cc(N)ccc12;Cn1ccc2c1ccc(c2)N","InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3","","2017-07-11","2017-08-11","1-methylindol-5-amine","2017-08-16"],["LHP","(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid","C27 H44 O4","O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C;CCC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH]([CH](C)CCC(O)=O)[C]4(C)CC[CH]23)C1;CCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)CCC(=O)O)C)C","InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1","Lithocholic acid propionate","2013-02-08","2021-03-01","(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid","2013-06-26"],["9TU","N6-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine","C16 H19 F3 N4 O4","c2(cc(C1(N=N1)C(F)(F)F)ccc2)COC(=O)NCCCCC(N)C(O)=O;N[CH](CCCCNC(=O)OCc1cccc(c1)C2(N=N2)C(F)(F)F)C(O)=O;c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCCC(C(=O)O)N","InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-5-3-4-10(8-11)9-27-14(26)21-7-2-1-6-12(20)13(24)25/h3-5,8,12H,1-2,6-7,9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1","","2018-07-31","2019-04-12","N~6~-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine","2019-04-17"],["LHQ","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate","C29 H44 N7 O18 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O","InChI=1S/C29H44N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3,5-6,15-16,18,22-24,28,39-40H,4,7-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1","","2019-08-19","2019-12-06","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate","2019-12-11"],["9TV","3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide","C20 H21 N5 O","c3(nnc(c1ccc2c(c1)CCCC2)c3)NC(CCc4ncccn4)=O;O=C(CCc1ncccn1)Nc2[nH]nc(c2)c3ccc4CCCCc4c3;c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4","InChI=1S/C20H21N5O/c26-20(9-8-18-21-10-3-11-22-18)23-19-13-17(24-25-19)16-7-6-14-4-1-2-5-15(14)12-16/h3,6-7,10-13H,1-2,4-5,8-9H2,(H2,23,24,25,26)","","2017-06-07","2018-05-25","3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide","2018-05-30"],["LHR","N-(1H-indazol-6-yl)acetamide","C9 H9 N3 O","CC(=O)Nc1ccc2cn[NH]c2c1;CC(=O)Nc1ccc2cn[nH]c2c1;CC(=O)Nc1ccc2cn[nH]c2c1","InChI=1S/C9H9N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h2-5H,1H3,(H,10,12)(H,11,13)","","2022-03-04","2022-03-11","N-(1H-indazol-6-yl)acetamide","2022-03-16"],["9TW","3-chloranyl-4-fluoranyl-benzamide","C7 H5 Cl F N O","NC(=O)c1ccc(F)c(Cl)c1;c1cc(c(cc1C(=O)N)Cl)F","InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)","","2017-07-12","2017-08-11","3-chloranyl-4-fluoranyl-benzamide","2017-08-16"],["LHS","N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide","C12 H12 F N3 O3","n2c(C(NCc1ccc(F)cc1)=O)noc2COC;COCc1onc(n1)C(=O)NCc2ccc(F)cc2;COCc1nc(no1)C(=O)NCc2ccc(cc2)F","InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide","2019-05-08"],["9TX","N6-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine","C16 H20 N2 O4","c1(cc(C#C)ccc1)COC(NCCCCC(C(=O)O)N)=O;N[CH](CCCCNC(=O)OCc1cccc(c1)C#C)C(O)=O;C#Cc1cccc(c1)COC(=O)NCCCCC(C(=O)O)N","InChI=1S/C16H20N2O4/c1-2-12-6-5-7-13(10-12)11-22-16(21)18-9-4-3-8-14(17)15(19)20/h1,5-7,10,14H,3-4,8-9,11,17H2,(H,18,21)(H,19,20)/t14-/m0/s1","","2018-07-31","2019-04-12","N~6~-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine","2019-04-17"],["LHT","hydrolysed ertapenem","C22 H27 N3 O8 S","C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(O)=O;CC1C(NC(=C1SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)C(C(C)O)C(=O)O","InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,23,25-26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-/m1/s1","","2019-08-19","2020-03-27","(2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2020-04-01"],["9TY","cyclopropane-1,1-dicarboxylic acid","C5 H6 O4","C(=O)(O)C1(C(O)=O)CC1;OC(=O)C1(CC1)C(O)=O;C1CC1(C(=O)O)C(=O)O","InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)","","2017-06-08","2017-10-20","cyclopropane-1,1-dicarboxylic acid","2017-10-25"],["9TZ","5-fluoranyl-2-methyl-benzoic acid","C8 H7 F O2","Cc1ccc(F)cc1C(O)=O;Cc1ccc(cc1C(=O)O)F","InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)","","2017-07-12","2017-08-11","5-fluoranyl-2-methyl-benzoic acid","2017-08-16"],["LHU","L-URIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1/f/h10,16-17H","","2003-10-16","2009-07-27","1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["LHV","(2S)-2-hydroxy-3-methylbutanoic acid","C5 H10 O3","O=C(O)C(O)C(C)C;CC(C)[CH](O)C(O)=O;CC(C)C(C(=O)O)O","InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1","","2012-10-16","2025-07-23","(2S)-2-hydroxy-3-methylbutanoic acid","2016-04-20"],["9U0","N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine","C15 H26 N2 O4","C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O;N[CH](CCCCNC(=O)O[CH]1CCCCCC=C1)C(O)=O;C1CCC=CC(CC1)OC(=O)NCCCCC(C(=O)O)N","InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1","","2018-07-31","2019-04-12","N~6~-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine","2019-04-17"],["LHW","MO(10)-O(35) Cluster","H16 Mo10 O35","O[Mo]123[O+]4[Mo]56(O)(O)O[Mo]47(O)(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O[Mo]%11%12(O)(O)O[Mo](O)(O)(O5)(O[Mo]%13%14(O)(O6)O[Mo]%15(O)(O7)(O8)O[Mo](O)(O%11)(O%10)(O%13)[O++]1%14%15)[O+]2%12)[O+]39;O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O","InChI=1S/10Mo.16H2O.19O/h;;;;;;;;;;16*1H2;;;;;;;;;;;;;;;;;;;/q4*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;+2/p-16","","2019-08-19","2019-12-13","","2019-12-18"],["9U1","N-(diaminomethylidene)urea","C2 H6 N4 O","NC(N)=N/C(N)=O;NC(N)=NC(N)=O;C(=NC(=O)N)(N)N","InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)","","2023-07-14","2023-07-28","N-(diaminomethylidene)urea","2023-08-02"],["LHX","(1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","C17 H20 O6","COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2;COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O)O","InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17-/m0/s1","","2022-07-05","2023-01-27","(1~{R},2~{R})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","2023-02-01"],["9U2","5-propan-2-yl-1,3-thiazole-4-carbaldehyde","C7 H9 N O S","CC(C)c1scnc1C=O;CC(C)c1c(ncs1)C=O","InChI=1S/C7H9NOS/c1-5(2)7-6(3-9)8-4-10-7/h3-5H,1-2H3","","2017-07-12","2017-12-01","5-propan-2-yl-1,3-thiazole-4-carbaldehyde","2017-12-06"],["LHY","L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE","C10 H12 N2 O4","O=C(O)C(NC(=O)NO)Cc1ccccc1;ONC(=O)N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)NO","InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1","","2000-11-22","2011-06-04","N-(hydroxycarbamoyl)-L-phenylalanine",""],["9U3","N,N,N',N'-tetramethylethane-1,2-diamine","C6 H16 N2","CN(C)CCN(C)C;CN(C)CCN(C)C;CN(C)CCN(C)C","InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3","","2018-07-31","2019-08-09","N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-diamine","2019-08-14"],["LHZ","(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one","C24 H24 F2 N8 O2","COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C;Cc1cnc(nc1c2cn3c(n2)C(=O)N(C(C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C","InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1","AZD0364","2019-08-19","2021-03-01","(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one","2019-11-20"],["9U4","3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","C27 H33 F2 N7 O2","C1COCCC1n6c2CCN(C(NC)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6;CNC(=O)N1CCc2n(nc(N3CCCc4cc(c5cnn(C)c5)c(cc34)C(F)F)c2C1)C6CCOCC6;CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1","InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)","","2017-06-09","2018-02-16","3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","2018-02-21"],["LI","LITHIUM ION","Li","[Li+];[Li+];[Li+]","InChI=1S/Li/q+1","","1999-07-08","2011-06-04","lithium",""],["9U5","4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid","C23 H23 N O2","CC(C)N1C=CC(C)(C)c2cc(ccc12)C#Cc3ccc(cc3)C(O)=O;CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C","InChI=1S/C23H23NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-16H,1-4H3,(H,25,26)","","2017-07-12","2018-10-19","4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid","2018-10-24"],["LI0","4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE","C36 H40 N4 O6 S2","[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(OC)(CC4)Cc5ccccc5;COC1(CCN(CC1)c2ccc(cc2)C(=O)N[S](=O)(=O)c3ccc(NC(C)(C)CSc4ccccc4)c(c3)[N+]([O-])=O)Cc5ccccc5;CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC","InChI=1S/C36H40N4O6S2/c1-35(2,26-47-30-12-8-5-9-13-30)37-32-19-18-31(24-33(32)40(42)43)48(44,45)38-34(41)28-14-16-29(17-15-28)39-22-20-36(46-3,21-23-39)25-27-10-6-4-7-11-27/h4-19,24,37H,20-23,25-26H2,1-3H3,(H,38,41)","","2006-12-08","2011-06-04","4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide",""],["9U6","3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine","C13 H18 N2 O4 Se","c1(COC(=O)NCC[Se]CC(C(O)=O)N)ccccc1;N[CH](C[Se]CCNC(=O)OCc1ccccc1)C(O)=O;c1ccc(cc1)COC(=O)NCC[Se]CC(C(=O)O)N","InChI=1S/C13H18N2O4Se/c14-11(12(16)17)9-20-7-6-15-13(18)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1","","2018-08-01","2019-04-12","3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine","2019-04-17"],["9U7","1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","C25 H30 N6 O2","c64c(c(N2CCCc1cc(ccc12)c3cnn(c3)C)nn4C5CCOC5)CN(C(C)=O)CC6;Cn1cc(cn1)c2ccc3N(CCCc3c2)c4nn([CH]5CCOC5)c6CCN(Cc46)C(C)=O;CC(=O)N1CCc2c(c(nn2C3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1","InChI=1S/C25H30N6O2/c1-17(32)29-10-7-24-22(15-29)25(27-31(24)21-8-11-33-16-21)30-9-3-4-19-12-18(5-6-23(19)30)20-13-26-28(2)14-20/h5-6,12-14,21H,3-4,7-11,15-16H2,1-2H3/t21-/m0/s1","","2017-06-09","2018-03-02","1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","2018-03-07"],["LI1","1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL","C42 H86 O3","OCC(OCCC(CCCC(CCCCCCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCCCCCC[CH](C)CCC[CH](C)CCO[CH](CO)COCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCCCCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C42H86O3/c1-35(2)19-13-11-10-12-14-21-37(5)23-17-28-41(9)30-32-45-42(33-43)34-44-31-29-40(8)27-18-26-39(7)25-16-24-38(6)22-15-20-36(3)4/h35-43H,10-34H2,1-9H3/t37-,38+,39?,40+,41-,42-/m1/s1","LIPID FRAGMENT","1999-09-16","2021-03-01","(2R)-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-{[(3R,7R)-3,7,15-trimethylhexadecyl]oxy}propan-1-ol",""],["LI2","3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE","C26 H25 F N4 O2","O=C(Nc2cc1c(cnc1cc2)CCc3ccncc3)c4cc(cc(F)c4)N5CCOCC5;Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]cc(CCc4ccncc4)c3c2)N5CCOCC5;c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5","InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32)","","2004-11-05","2011-06-04","3-fluoro-5-morpholin-4-yl-N-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]benzamide",""],["9U8","ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate","C34 H42 N4 O7 S","CCOC(=O)C1CCN(CC1)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N[CH](CCc3ccccc3)CC[S](=O)(=O)c4ccccn4;CCOC(=O)C1CCN(CC1)C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccn4","InChI=1S/C34H42N4O7S/c1-2-45-33(41)27-17-21-38(22-18-27)34(42)37-30(24-26-12-15-29(39)16-13-26)32(40)36-28(14-11-25-8-4-3-5-9-25)19-23-46(43,44)31-10-6-7-20-35-31/h3-10,12-13,15-16,20,27-28,30,39H,2,11,14,17-19,21-24H2,1H3,(H,36,40)(H,37,42)/t28-,30-/m0/s1","","2017-07-13","2024-09-27","ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate","2018-11-21"],["9U9","N6-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine","C17 H26 N2 O4","C1(C2CCC#CCCC12)COC(NCCCCC(C(O)=O)N)=O;N[CH](CCCCNC(=O)OCC1[CH]2CCC#CCC[CH]12)C(O)=O;C1CC2C(C2COC(=O)NCCCCC(C(=O)O)N)CCC#C1","InChI=1S/C17H26N2O4/c18-15(16(20)21)9-5-6-10-19-17(22)23-11-14-12-7-3-1-2-4-8-13(12)14/h12-15H,3-11,18H2,(H,19,22)(H,20,21)/t12-,13+,14-,15-/m0/s1","","2018-08-01","2019-04-12","N~6~-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine","2019-04-17"],["LI3","3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE","C19 H18 F N3 O2","O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4;Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]ccc3c2)N4CCOCC4;c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4","InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)","","2004-11-05","2011-06-04","3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide",""],["9UA","1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","C26 H30 F2 N6 O2","C1CC(CO1)n6c2CCN(C(C)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6;Cn1cc(cn1)c2cc3CCCN(c3cc2C(F)F)c4nn([CH]5CCOC5)c6CCN(Cc46)C(C)=O;CC(=O)N1CCc2c(c(nn2C3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1","InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1","","2017-06-09","2018-03-02","1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","2018-03-07"],["LI4","3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE","C16 H14 N2 O","O(c1cccnc1N)Cc3c2ccccc2ccc3;Nc1ncccc1OCc2cccc3ccccc23;c1ccc2c(c1)cccc2COc3cccnc3N","InChI=1S/C16H14N2O/c17-16-15(9-4-10-18-16)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,17,18)","","2004-11-05","2011-06-04","3-(naphthalen-1-ylmethoxy)pyridin-2-amine",""],["9UB","[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid","C29 H51 N O11 P2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(CC1C(C(C(C(O1)CO)O)O)NC(=O)C)O)C)C)C)C","InChI=1S/C29H51NO11P2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-39-43(37,38)41-42(35,36)19-26-27(30-24(6)32)29(34)28(33)25(18-31)40-26/h10,12,14,16,25-29,31,33-34H,7-9,11,13,15,17-19H2,1-6H3,(H,30,32)(H,35,36)(H,37,38)/b21-12-,22-14-,23-16-/t25-,26-,27+,28-,29-/m1/s1","","2017-07-13","2017-10-20","[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid","2017-10-25"],["LI5","2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE","C7 H13 O6 P","O=P(O)OCC(O)CC(=O)C(=O)CC;CCC(=O)C(=O)C[CH](O)CO[PH](O)=O;CCC(=O)C(=O)CC(COP(=O)O)O","InChI=1S/C7H13O6P/c1-2-6(9)7(10)3-5(8)4-13-14(11)12/h5,8,14H,2-4H2,1H3,(H,11,12)/t5-/m1/s1","","2005-01-03","2024-09-27","(2R)-2-hydroxy-4,5-dioxoheptyl hydrogen (R)-phosphonate",""],["LI6","3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE","C10 H9 N O3","O=C2C(O)=C(O)c1c(cccc1)N2C;CN1C(=O)C(=C(O)c2ccccc12)O;CN1c2ccccc2C(=C(C1=O)O)O","InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3","","2005-03-07","2011-06-04","3,4-dihydroxy-1-methylquinolin-2(1H)-one",""],["9UC","N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine","C14 H19 N3 O6","c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O;N[CH](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O;c1cc(ccc1COC(=O)NCCCCC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1","","2018-08-01","2019-04-12","N~6~-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine","2019-04-17"],["LI7","(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE","C14 H10 N2 O2","O=C3C(=N/c1ccc(O)cc1)c2ccccc2N3;Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23;c1ccc2c(c1)C(=Nc3ccc(cc3)O)C(=O)N2","InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)","","2005-03-07","2011-06-04","(3Z)-3-[(4-hydroxyphenyl)imino]-1,3-dihydro-2H-indol-2-one",""],["9UD","1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","C27 H32 F2 N6 O2","c1(c(cc2c(c1)CCCN2c4nn(C3CCOCC3)c5CCN(Cc45)C(=O)C)C(F)F)c6cn(nc6)C;Cn1cc(cn1)c2cc3CCCN(c3cc2C(F)F)c4nn(C5CCOCC5)c6CCN(Cc46)C(C)=O;CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1","InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3","","2017-06-09","2018-03-02","1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","2018-03-07"],["LI8","N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE","C23 H31 Br N8 O3","O=C(Nc2cccc(Nc1nc(NCCCNC(=O)C(C(=O)N)(C)C)c(Br)cn1)c2)N3CCCC3;CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br;CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br","InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)","","2005-03-21","2011-06-04","N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylpropanediamide",""],["9UE","Jasplakinolide","C36 H45 Br N4 O6","C[CH]1C[CH](C)C=C(C)C[CH](C)C(=O)N[CH](C)C(=O)N(C)[CH](Cc2c(Br)[nH]c3ccccc23)C(=O)N[CH](CC(=O)O1)c4ccc(O)cc4;CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C","InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1","","2017-07-13","2017-09-22","(4~{R},7~{R},10~{S},13~{S},15~{E},17~{R},19~{S})-7-[(2-bromanyl-1~{H}-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","2017-09-27"],["9UF","N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine","C13 H20 N4 O4","c1(cnc(cc1)N)COC(NCCCCC(C(O)=O)N)=O;N[CH](CCCCNC(=O)OCc1ccc(N)nc1)C(O)=O;c1cc(ncc1COC(=O)NCCCCC(C(=O)O)N)N","InChI=1S/C13H20N4O4/c14-10(12(18)19)3-1-2-6-16-13(20)21-8-9-4-5-11(15)17-7-9/h4-5,7,10H,1-3,6,8,14H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1","","2018-08-02","2019-04-12","N~6~-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine","2019-04-17"],["LI9","4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE","C27 H29 F N6 O","Fc1ccc(cc1)C2=C(N(N(C2=O)C3CCNCC3)C)c4nc(ncc4)NC(c5ccccc5)C;C[CH](Nc1nccc(n1)C2=C(C(=O)N(C3CCNCC3)N2C)c4ccc(F)cc4)c5ccccc5;CC(c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F","InChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)31-27-30-17-14-23(32-27)25-24(20-8-10-21(28)11-9-20)26(35)34(33(25)2)22-12-15-29-16-13-22/h3-11,14,17-18,22,29H,12-13,15-16H2,1-2H3,(H,30,31,32)/t18-/m0/s1","","2005-03-21","2011-06-04","4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one",""],["9UG","(2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide","C12 H16 N2 O2","c1cc(cc2c1N(CC(C)O2)C(NC)=O)C;CNC(=O)N1C[CH](C)Oc2cc(C)ccc12;Cc1ccc2c(c1)OC(CN2C(=O)NC)C","InChI=1S/C12H16N2O2/c1-8-4-5-10-11(6-8)16-9(2)7-14(10)12(15)13-3/h4-6,9H,7H2,1-3H3,(H,13,15)/t9-/m1/s1","","2017-06-09","2018-03-02","(2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide","2018-03-07"],["LIA","(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE","C18 H21 F2 N5 O4 S","O=S(=O)(N3CCC(Nc2nc(N)c(C(=O)c1c(F)c(F)ccc1OC)cn2)CC3)C;COc1ccc(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)[S](C)(=O)=O)nc2N;COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F","InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)","","2006-02-03","2011-06-04","(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone",""],["LIB","3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA","C23 H26 Cl N5 O3","Clc1ccccc1NC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3;COc1ccc(cc1)N(C(=O)Nc2ccccc2Cl)c3ccnc(N[CH](C)C(C)(C)O)n3;CC(C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl","InChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1","3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE","2006-03-28","2021-03-13","3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea",""],["9UH","(2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H24 N10 O13 P2","Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c1N=C(N)NC2=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6N=C(NC7=O)N)O)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13+,18-,19-/m1/s1","","2021-10-27","2022-10-07","(2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2022-10-12"],["9UJ","(2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid","C22 H19 Cl N2 O4 S","Cc1onc(C)c1c2ccc(cc2)C(=O)N3[CH](CS[CH]3c4ccccc4Cl)C(O)=O;Cc1c(c(on1)C)c2ccc(cc2)C(=O)N3C(CSC3c4ccccc4Cl)C(=O)O","InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1","TUG-1375","2023-04-20","2024-01-19","(2~{R},4~{R})-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid","2024-01-24"],["LIC","3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA","C24 H28 Cl N5 O3","Clc1ccccc1CNC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3;COc1ccc(cc1)N(C(=O)NCc2ccccc2Cl)c3ccnc(N[CH](C)C(C)(C)O)n3;CC(C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl","InChI=1S/C24H28ClN5O3/c1-16(24(2,3)32)28-22-26-14-13-21(29-22)30(18-9-11-19(33-4)12-10-18)23(31)27-15-17-7-5-6-8-20(17)25/h5-14,16,32H,15H2,1-4H3,(H,27,31)(H,26,28,29)/t16-/m0/s1","3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE","2006-03-29","2020-06-17","3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea",""],["LID","8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM","C19 H15 Cl F2 N6","Fc1cccc(F)c1Nc2ncc3nc(n(c3n2)CC)Nc4ccccc4Cl;CCn1c(Nc2ccccc2Cl)nc3cnc(Nc4c(F)cccc4F)nc13;CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl","InChI=1S/C19H15ClF2N6/c1-2-28-17-15(25-19(28)24-14-9-4-3-6-11(14)20)10-23-18(27-17)26-16-12(21)7-5-8-13(16)22/h3-10H,2H2,1H3,(H,24,25)(H,23,26,27)","3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE","2006-05-01","2021-03-13","N~8~-(2-chlorophenyl)-N~2~-(2,6-difluorophenyl)-9-ethyl-9H-purine-2,8-diamine",""],["9UK","cobaltcarborane","C5 H5 B18 Co N2 O2 S","B[B]123B4B5[C]67[B+]48[B]19[B]2([B-]689)[C]7%10B3[Co]5%10%11B%12[C]%13(CN[S](N)(=O)=O)[B-]%14%15[B+]%16%17[C]%13%18B%19[B]%20%21%22B%11[B]%12%14%20[B]%15%16%21[B]%17%18%19%22;[B]1B234B5B6[Co]17891%10%11(B2C72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N","InChI=1S/C3H5B9N2O2S.C2HB9.Co/c13-17(15,16)14-1-2-3-6-9(3)8(3)7(2)10(4-2)5-11(6,9,10)12(7,8,9)10;3-11-4-1-2-5-6(11)8(2)9(2)7(1,11)10(8,9)11;/h14H,1H2,(H2,13,15,16);3H;/q+2;+3;-5/t2-,3?;;/m1../s1","","2017-07-14","2018-07-27","","2018-08-01"],["LIE","2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE","C20 H16 F3 N5 O","Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C)C)Nc3ccccc3F;CC(C)n1c(Nc2ccccc2F)nc3cnc(Oc4c(F)cccc4F)nc13;CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F","InChI=1S/C20H16F3N5O/c1-11(2)28-18-16(26-19(28)25-15-9-4-3-6-12(15)21)10-24-20(27-18)29-17-13(22)7-5-8-14(17)23/h3-11H,1-2H3,(H,25,26)","","2006-05-10","2011-06-04","2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-9H-purin-8-amine",""],["9UL","(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole","C13 H14 N2","CN1CCCC1=C2C=Nc3ccccc23;CN1CCCC1=C2C=Nc3c2cccc3","InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+","","2018-08-06","2018-12-14","(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole","2018-12-19"],["LIF","N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA","C27 H19 F4 N5 O3","FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc5ccc(c2c4c(ncnc4oc2c3ccc(OC)cc3)N)cc5;COc1ccc(cc1)c2oc3ncnc(N)c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4;COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F","InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)","N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA","2005-02-22","2020-06-17","1-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea",""],["9UM","3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione","C10 H11 Br N2 O2","C1(=O)C(C)=C(C)N2C(=C(C(=O)N12)C)CBr;CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr;CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C","InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3","","2017-06-10","2024-09-27","3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione","2018-01-03"],["9UN","5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide","C22 H22 N4 O7","O=C(c3noc(c2c(Oc1ccc([N+]([O-])=O)cc1)cc(O)cc2O)c3)NC4CCN(C)CC4;CN1CCC(CC1)NC(=O)c2cc(on2)c3c(O)cc(O)cc3Oc4ccc(cc4)[N+]([O-])=O;CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O","InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)","","2012-08-21","2014-09-05","5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide","2013-05-29"],["LIG","3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE","C15 H11 N3","n4ccc(c1c3c(nn1)c2ccccc2C3)cc4;C1c2ccccc2c3n[nH]c(c13)c4ccncc4;c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4","InChI=1S/C15H11N3/c1-2-4-12-11(3-1)9-13-14(17-18-15(12)13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)","","2001-09-17","2021-10-22","3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole",""],["LIH","6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE","C18 H17 N7","n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4;Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c14;Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4","InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)","SRI-9439","2002-01-07","2021-03-01","5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine",""],["9UO","6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine","C14 H13 Cl F6 N6","c1(nc(NC(C)C(F)(F)F)nc(n1)NC(C)C(F)(F)F)c2nc(Cl)ccc2;C[CH](Nc1nc(N[CH](C)C(F)(F)F)nc(n1)c2cccc(Cl)n2)C(F)(F)F;CC(C(F)(F)F)Nc1nc(nc(n1)NC(C)C(F)(F)F)c2cccc(n2)Cl","InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1","","2018-08-06","2018-08-31","6-(6-chloropyridin-2-yl)-N~2~,N~4~-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine","2018-09-05"],["LII","(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE","C18 H19 N5 O2","n1cc(c(c2c1nc(nc2N)N)C)/C=Cc3cc(OC)ccc3OC;COc1ccc(OC)c(C=Cc2cnc3nc(N)nc(N)c3c2C)c1;Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(ccc3OC)OC","InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-","SRI-9662","2002-01-07","2021-03-01","6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine",""],["9UP","methyl (7-carbamimidoylnaphthalen-1-yl)carbamate","C13 H13 N3 O2","O=C(OC)Nc2cccc1ccc(cc12)C(=[N@H])N;COC(=O)Nc1cccc2ccc(cc12)C(N)=N;COC(=O)Nc1cccc2c1cc(cc2)C(=N)N","InChI=1S/C13H13N3O2/c1-18-13(17)16-11-4-2-3-8-5-6-9(12(14)15)7-10(8)11/h2-7H,1H3,(H3,14,15)(H,16,17)","","2012-07-01","2012-08-17","methyl (7-carbamimidoylnaphthalen-1-yl)carbamate",""],["LIJ","BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE","C36 H49 N3 O7 S","O=S(=O)(C(CCC)CCC)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3;CCCC(CCC)[S](=O)(=O)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(OC)c3;CCCC(CCC)S(=O)(=O)CC(C(=O)NC(Cc1ccccc1)C(CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3","InChI=1S/C36H49N3O7S/c1-4-13-31(14-5-2)47(43,44)26-33(39-36(42)46-25-28-17-10-7-11-18-28)35(41)38-32(22-27-15-8-6-9-16-27)34(40)24-37-23-29-19-12-20-30(21-29)45-3/h6-12,15-21,31-34,37,40H,4-5,13-14,22-26H2,1-3H3,(H,38,41)(H,39,42)/t32-,33+,34+/m0/s1","","2006-07-10","2011-06-04","benzyl [(1S)-2-({(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate",""],["9UQ","(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione","C13 H16 N2 O2","CC[C]1(CCC(=O)NC1=O)c2ccc(N)cc2;CCC1(CCC(=O)NC1=O)c2ccc(cc2)N","InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1","","2017-07-14","2018-10-05","(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione","2018-10-10"],["LIK","3,6-BIS(METHYLENE)DECANOIC ACID","C12 H20 O2","O=C(O)CC(=C)CC/C(=C)CCCC;CCCCC(=C)CCC(=C)CC(O)=O;CCCCC(=C)CCC(=C)CC(=O)O","InChI=1S/C12H20O2/c1-4-5-6-10(2)7-8-11(3)9-12(13)14/h2-9H2,1H3,(H,13,14)","","2006-07-11","2011-06-04","3,6-dimethylidenedecanoic acid",""],["9UR","(2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H24 N10 O13 P2","Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c1NC(N)=NC2=O;NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67)c2N1;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6NC(=NC7=O)N)O)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12+,13-,18-,19-/m1/s1","","2021-10-27","2022-10-14","(2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2022-10-19"],["LIL","2-TRIDECANOYLOXY-PENTADECANOIC ACID","C28 H54 O4","O=C(O)CC(OC(=O)CCCCCCCCCCCC)CCCCCCCCCCCC;CCCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCCC;CCCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCCC","InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27(29)30)32-28(31)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m0/s1","","1999-10-01","2011-06-04","(3S)-3-(tridecanoyloxy)pentadecanoic acid",""],["9US","1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C27 H22 N2 O5","CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4cccc5ccccc45;Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc4c3cccc4)C(=O)C5=C(CCCC5=O)O","InChI=1S/C27H22N2O5/c1-15-17(25(32)24-21(30)11-6-12-22(24)31)13-14-20-23(15)26(33)29(27(34)28(20)2)19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,13-14,30H,6,11-12H2,1-2H3","","2022-03-14","2022-05-27","1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2022-06-01"],["9UT","1,3-thiazole-2,4-dione","C3 H3 N O2 S","O=C1NC(=O)[SH]=C1;C1=SC(=O)NC1=O","InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1,7H,(H,4,5,6)","","2017-07-14","2025-09-10","1,3-thiazole-2,4-dione","2018-10-10"],["LIM","3-OXO-PENTADECANOIC ACID","C15 H28 O3","O=C(CCCCCCCCCCCC)CC(=O)O;CCCCCCCCCCCCC(=O)CC(O)=O;CCCCCCCCCCCCC(=O)CC(=O)O","InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h2-13H2,1H3,(H,17,18)","","1999-10-01","2011-06-04","3-oxopentadecanoic acid",""],["LIN","3-OXO-BUTYRIC ACID","C4 H6 O3","O=C(C)CC(=O)O;CC(=O)CC(O)=O;CC(=O)CC(=O)O","InChI=1/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/f/h6H","","1999-10-01","2008-10-14","3-oxobutanoic acid",""],["9UU","1-(4-hydroxyphenyl)pyrrole-2,5-dione","C10 H7 N O3","Oc1ccc(cc1)N2C(=O)C=CC2=O;c1cc(ccc1N2C(=O)C=CC2=O)O","InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H","","2023-04-28","2024-04-19","1-(4-hydroxyphenyl)pyrrole-2,5-dione","2024-04-24"],["LIO","[1-PENTADECANOYL-2-DECANOYL-GLYCEROL-3-YL]PHOSPHONYL CHOLINE","C33 H67 N O8 P","O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCC)CCCCCCCCC;CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC;CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC","InChI=1S/C33H66NO8P/c1-6-8-10-12-14-15-16-17-18-20-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34(3,4)5)42-33(36)26-24-22-19-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1","","1999-12-15","2011-06-04","(4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatetracosan-1-aminium 4-oxide",""],["9UV","(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","C27 H27 Cl N4 O6","N#CC=Cc1cc(cc(Cl)c1)Oc1ccc(OCCN2CCOCC2)cc1OCCN1C=CC(=O)NC1=O;Clc1cc(Oc2ccc(OCCN3CCOCC3)cc2OCCN4C=CC(=O)NC4=O)cc(C=CC#N)c1;c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)C=CC#N","InChI=1S/C27H27ClN4O6/c28-21-16-20(2-1-6-29)17-23(18-21)38-24-4-3-22(36-14-10-31-8-12-35-13-9-31)19-25(24)37-15-11-32-7-5-26(33)30-27(32)34/h1-5,7,16-19H,8-15H2,(H,30,33,34)/b2-1+","","2021-10-29","2022-03-11","(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","2022-03-16"],["9UW","2-sulfanylideneimidazol-4-one","C3 H2 N2 O S","O=C1NC(=S)N=C1;C1=NC(=S)NC1=O","InChI=1S/C3H2N2OS/c6-2-1-4-3(7)5-2/h1H,(H,5,6,7)","","2017-07-14","2018-10-05","2-sulfanylideneimidazol-4-one","2018-10-10"],["LIP","L-MYO-INOSITOL-1-PHOSPHATE","C6 H11 O9 P","O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O;C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O","InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1","","1999-07-08","2013-03-12","(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate",""],["LIQ","N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE","C33 H42 F2 N4 O5 S","O=C(NC(C(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc2cccc(c2)CC)CS(=O)(=O)CCCCC)c3cccnc3;CCCCC[S](=O)(=O)C[CH](NC(=O)c1cccnc1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc(CC)c3;CCCCCS(=O)(=O)CC(C(=O)NC(Cc1cc(cc(c1)F)F)C(CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3","InChI=1S/C33H42F2N4O5S/c1-3-5-6-13-45(43,44)22-30(39-32(41)26-11-8-12-36-20-26)33(42)38-29(17-25-15-27(34)18-28(35)16-25)31(40)21-37-19-24-10-7-9-23(4-2)14-24/h7-12,14-16,18,20,29-31,37,40H,3-6,13,17,19,21-22H2,1-2H3,(H,38,42)(H,39,41)/t29-,30+,31+/m0/s1","","2006-07-11","2011-06-04","N-{(1S)-2-({(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}pyridine-3-carboxamide",""],["9UX","dioxo(di-mu-sulfide)dimolybdenum","H4 Mo2 O2 S2","[Mo]1(=O)S[Mo](=O)S1;O=[MoH2]1S[MoH2](=O)S1;O=[MoH2]1S[MoH2](=O)S1","InChI=1S/2Mo.2O.2S.4H","","2018-08-08","2019-03-29","dioxo(di-mu-sulfide)dimolybdenum","2019-04-03"],["LIR","2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM","C19 H21 N6 O2","N#Cc1ccccc1C[n+]2c(nc3c2C(=O)N(C3=O)C)N4CCCC(N)C4;CN1C(=O)c2[nH]c(N3CCC[CH](N)C3)[n+](Cc4ccccc4C#N)c2C1=O;CN1C(=O)c2c([n+](c([nH]2)N3CCCC(C3)N)Cc4ccccc4C#N)C1=O","InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/p+1/t14-/m0/s1","","2006-08-22","2011-06-04","2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium",""],["9UY","3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H38 N4 O6","C[CH]1[CH](C=C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;Cc1c(c([nH]c1CC2=NC(=O)C(C2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,19-20,34-35H,1-2,9-15H2,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1","Billeverdin IXa, bound form","2017-06-13","2024-09-27","3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2017-06-21"],["LIS","(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID","C5 H9 N O3","O=C(O)C(N)CC1OC1;N[CH](C[CH]1CO1)C(O)=O;C1C(O1)CC(C(=O)O)N","InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1","3-OXIRAN-2YLALANINE","2002-12-10","2020-06-17","(2S)-2-amino-3-[(2S)-oxiran-2-yl]propanoic acid (non-preferred name)",""],["9UZ","piperidine-2,6-dione","C5 H7 N O2","O=C1CCCC(=O)N1;C1CC(=O)NC(=O)C1","InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)","","2017-07-14","2018-10-05","piperidine-2,6-dione","2018-10-10"],["LIT","{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID","C8 H5 N3 O6 S","O=C(O)CSc1nnc(o1)c2oc([N+]([O-])=O)cc2;OC(=O)CSc1oc(nn1)c2oc(cc2)[N+]([O-])=O;c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-]","InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)","","2006-10-04","2011-06-04","{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid",""],["9V0","(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid","C14 H19 N5 O4","N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O;c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)N=[N+]=[N-]","InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1","","2018-08-16","2019-04-12","(2~{S})-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid","2019-04-17"],["LIU","N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide","C30 H36 N4 O5 S2","[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(C)C;CC1(C)CCN(CC1)c2ccc(cc2)C(=O)N[S](=O)(=O)c3ccc(NC(C)(C)CSc4ccccc4)c(c3)[N+]([O-])=O;CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C","InChI=1S/C30H36N4O5S2/c1-29(2)16-18-33(19-17-29)23-12-10-22(11-13-23)28(35)32-41(38,39)25-14-15-26(27(20-25)34(36)37)31-30(3,4)21-40-24-8-6-5-7-9-24/h5-15,20,31H,16-19,21H2,1-4H3,(H,32,35)","","2006-12-07","2011-06-04","N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide",""],["9V1","3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]\nmethyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro\npanoic acid","C33 H40 N4 O6","CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1C(C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19-20,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1","Billeverdin IXa, bound form","2017-06-13","2024-09-27","3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2017-06-21"],["LIV","(2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R\n,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET\nHYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL","C29 H55 N5 O18","O(C2C(OC1OC(CO)C(O)CC1N)C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4N)C5O)CO;NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)C[CH]4N)[CH](N)[CH](O)[CH]1O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O;C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C(C(O5)CO)O)O)O)O)N)O)O)N","InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1","LIVIDOMYCIN A;\nO-2-AMINO-2,3-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[BETA-D-MANNOPYRANOSYL-(1,4)-O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPY\nRANOSYL-(1,3)-BETA-D-RIBOFURANOSYL-(1,5)-2-DEOXY-D-STREPTAMINE","2005-11-16","2020-06-17","(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-{[alpha-D-mannopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-beta-D-ribofuranosyl]oxy}cyclohexyl 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranoside",""],["9V2","(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione","C7 H11 N O2","CC[C]1(C)CC(=O)NC1=O;CCC1(CC(=O)NC1=O)C","InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1","","2017-07-14","2018-10-05","(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione","2018-10-10"],["LIW","4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE","C40 H41 N5 O5 S2","[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccccc3)cccc4)CC5)cc6;CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6;CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6","InChI=1S/C40H41N5O5S2/c1-40(2,29-51-34-14-7-4-8-15-34)41-37-22-21-35(27-38(37)45(47)48)52(49,50)42-39(46)31-17-19-33(20-18-31)44-25-23-43(24-26-44)28-32-13-9-10-16-36(32)30-11-5-3-6-12-30/h3-22,27,41H,23-26,28-29H2,1-2H3,(H,42,46)","","2006-12-08","2011-06-04","4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide",""],["9V3","2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone","C19 H25 N3 O S","CC(C)CNCC(=O)N1CCc2sccc2[CH]1c3cccc(C)n3;Cc1cccc(n1)C2c3ccsc3CCN2C(=O)CNCC(C)C","InChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1","","2021-11-19","2022-08-22","2-(2-methylpropylamino)-1-[(4~{R})-4-(6-methylpyridin-2-yl)-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone","2022-01-26"],["LIX","N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE","C32 H38 N6 O5 S","O=S(=O)(c2cc1ccccc1cc2)NCCNc5nc(nc(c5c4ccc3OC(C(=O)N(c3c4)CCCOC)(C)C)CC)N;CCc1nc(N)nc(NCCN[S](=O)(=O)c2ccc3ccccc3c2)c1c4ccc5OC(C)(C)C(=O)N(CCCOC)c5c4;CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC","InChI=1S/C32H38N6O5S/c1-5-25-28(23-12-14-27-26(20-23)38(17-8-18-42-4)30(39)32(2,3)43-27)29(37-31(33)36-25)34-15-16-35-44(40,41)24-13-11-21-9-6-7-10-22(21)19-24/h6-7,9-14,19-20,35H,5,8,15-18H2,1-4H3,(H3,33,34,36,37)","","2006-10-04","2011-06-04","N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide",""],["9V4","2-methylsulfonyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide","C11 H10 F3 N5 O3 S","Cn1nnnc1NC(=O)c2ccc(cc2[S](C)(=O)=O)C(F)(F)F;Cn1c(nnn1)NC(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F","InChI=1S/C11H10F3N5O3S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22/h3-5H,1-2H3,(H,15,16,18,20)","","2022-03-14","2022-05-27","2-methylsulfonyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide","2022-06-01"],["9V5","4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene","C12 H8 Cl N O4 S","[O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl","InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H","BIS-TRIS BUFFER","2017-07-15","2020-06-17","4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene","2017-10-25"],["LIY","6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE","C25 H31 N5 O","n4c(c(c1ccc3c(c1)N(C(c2ccccc2)CC3)CCCOC)c(nc4N)N)CC;CCc1nc(N)nc(N)c1c2ccc3CC[CH](N(CCCOC)c3c2)c4ccccc4;CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(CC3)c4ccccc4)CCCOC","InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)/t21-/m0/s1","","2006-10-04","2011-06-04","6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine",""],["9V6","(2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid","C14 H19 Cl N2 O4","N[CH](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O;c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)Cl","InChI=1S/C14H19ClN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1","","2018-08-16","2019-04-12","(2~{S})-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid","2019-04-17"],["LIZ","N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine","C30 H45 N5 O13 S","S=C(NC(CO)(CO)CO)Nc1ccc(cc1)CC(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)C2CCCCC2N(CC(=O)O)CC(=O)O;OCC(CO)(CO)NC(=S)Nc1ccc(C[CH](CN(CC(O)=O)[CH]2CCCC[CH]2N(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)cc1;c1cc(ccc1CC(CN(CC(=O)O)C2CCCCC2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO","InChI=1S/C30H45N5O13S/c36-16-30(17-37,18-38)32-29(49)31-20-7-5-19(6-8-20)9-21(33(11-24(39)40)12-25(41)42)10-34(13-26(43)44)22-3-1-2-4-23(22)35(14-27(45)46)15-28(47)48/h5-8,21-23,36-38H,1-4,9-18H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,31,32,49)/t21-,22+,23+/m1/s1","","2008-07-27","2011-06-04","N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine",""],["LJ0","(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide","C14 H18 N2 O","O=C(Nc1cnccc1C)C1C2CCCCC21;Cc1ccncc1NC(=O)C2[CH]3CCCC[CH]23;Cc1ccncc1NC(=O)C2C3C2CCCC3","InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+","","2023-08-15","2023-11-03","(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide","2023-11-08"],["9V7","phenylcarbamic acid","C7 H7 N O2","N(C(O)=O)c1ccccc1;OC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)O","InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)","","2017-06-13","2024-09-27","phenylcarbamic acid","2017-08-09"],["9V8","[3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate","C23 H19 F6 N5 O3","FC(F)(F)c1cc(COC(=O)N2C[CH]3C(CNC(=O)c4ccc5[nH]nnc5c4)[CH]3C2)cc(c1)C(F)(F)F;c1cc2c(cc1C(=O)NCC3C4C3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2","InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+","","2017-07-17","2017-12-29","[3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate","2018-01-03"],["LJ1","2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol","C16 H16 O","Oc2c(cc(C=Cc1ccccc1)cc2C)C;Cc1cc(C=Cc2ccccc2)cc(C)c1O;Cc1cc(cc(c1O)C)C=Cc2ccccc2","InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+","3,5-Dimethyl-4-hydroxystilbene","2008-03-25","2020-06-17","2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol",""],["9V9","1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","C11 H15 N2 O8 P S","C1(=O)NC(N(C=C1C)C2OC3(COP(O)(O)=O)C(C2OC3)O)=S;CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=S)NC1=O;CC1=CN(C(=S)NC1=O)C2C3C(C(O2)(CO3)COP(=O)(O)O)O","InChI=1S/C11H15N2O8PS/c1-5-2-13(10(23)12-8(5)15)9-6-7(14)11(21-9,3-19-6)4-20-22(16,17)18/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,23)(H2,16,17,18)/t6-,7+,9-,11-/m1/s1","","2018-08-16","2019-03-22","1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","2019-03-27"],["LJ2","2,6-dibromo-4-[(E)-2-phenylethenyl]phenol","C14 H10 Br2 O","Brc1cc(cc(Br)c1O)C=Cc2ccccc2;Oc1c(Br)cc(C=Cc2ccccc2)cc1Br;c1ccc(cc1)C=Cc2cc(c(c(c2)Br)O)Br","InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+","3,5-Dibromo-4-hydroxystilbene","2008-03-25","2021-03-13","2,6-dibromo-4-[(E)-2-phenylethenyl]phenol",""],["LJ3","3,5-dibromobiphenyl-4-ol","C12 H8 Br2 O","Brc1cc(cc(Br)c1O)c2ccccc2;Oc1c(Br)cc(cc1Br)c2ccccc2;c1ccc(cc1)c2cc(c(c(c2)Br)O)Br","InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H","3,5-Dibromo-4-hydroxybiphenyl","2008-03-25","2020-06-17","3,5-dibromobiphenyl-4-ol",""],["9VA","3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide","C8 H13 N3 O3","C1=NC(CO)C(NC1CCC(=O)N)=O;NC(=O)CC[CH]1NC(=O)[CH](CO)N=C1;C1=NC(C(=O)NC1CCC(=O)N)CO","InChI=1S/C8H13N3O3/c9-7(13)2-1-5-3-10-6(4-12)8(14)11-5/h3,5-6,12H,1-2,4H2,(H2,9,13)(H,11,14)/t5-,6-/m0/s1","","2017-06-13","2024-09-27","3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide","2017-08-30"],["LJ4","2,6-dibromo-4-phenoxyphenol","C12 H8 Br2 O2","Brc2cc(Oc1ccccc1)cc(Br)c2O;Oc1c(Br)cc(Oc2ccccc2)cc1Br;c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br","InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H","1,3-Dibromo-2-hydroxy-5-phenoxybenzene","2008-03-25","2020-06-17","2,6-dibromo-4-phenoxyphenol",""],["9VC","(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid","C14 H20 N2 O4","N[CH](CCCCNC(=O)OCc1ccccc1)C(O)=O;c1ccc(cc1)COC(=O)NCCCCC(C(=O)O)N","InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1","","2018-08-16","2019-04-12","(2~{S})-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid","2019-04-17"],["LJ5","N-(3,5-dibromo-4-hydroxyphenyl)benzamide","C13 H9 Br2 N O2","Brc1cc(cc(Br)c1O)NC(=O)c2ccccc2;Oc1c(Br)cc(NC(=O)c2ccccc2)cc1Br;c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br","InChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)","","2008-03-25","2011-06-04","N-(3,5-dibromo-4-hydroxyphenyl)benzamide",""],["9VD","(2S,3S)-2-amino-3-hydroxybutanal","C4 H9 N O2","C(=O)C(C(O)C)N;C[CH](O)[CH](N)C=O;CC(C(C=O)N)O","InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h2-4,7H,5H2,1H3/t3-,4+/m0/s1","","2017-06-13","2024-09-27","(2S,3S)-2-amino-3-hydroxybutanal","2017-08-30"],["LJ6","(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide","C11 H18 N2 O2","CC(Cc1c(C)onc1C)C(=O)N(C)C;C[CH](Cc1c(C)onc1C)C(=O)N(C)C;Cc1c(c(on1)C)CC(C)C(=O)N(C)C","InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m1/s1","","2022-03-04","2022-03-11","(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide","2022-03-16"],["9VE","[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate","C32 H34 Cl2 F2 N3 O8 S","CN(C)C(=O)c1cccc(c1)[S](=O)(=O)N2CCC[CH]2C(=O)O[CH](Cc3c(Cl)c[n+](O)cc3Cl)c4ccc(OC(F)F)c(OCC5CC5)c4;CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCCC2C(=O)OC(Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F","InChI=1S/C32H34Cl2F2N3O8S/c1-37(2)30(40)21-5-3-6-22(13-21)48(43,44)39-12-4-7-26(39)31(41)46-28(15-23-24(33)16-38(42)17-25(23)34)20-10-11-27(47-32(35)36)29(14-20)45-18-19-8-9-19/h3,5-6,10-11,13-14,16-17,19,26,28,32,42H,4,7-9,12,15,18H2,1-2H3/q+1/t26-,28-/m0/s1","","2017-07-17","2017-12-08","[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate","2017-12-13"],["LJ7","N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide","C14 H16 F N3 O","n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C;CC(C)n1ccc(n1)C(=O)NCc2ccc(F)cc2;CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F","InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19)","","2019-02-22","2019-05-03","N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide","2019-05-08"],["9VF","(2S)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid","C11 H24 N2 O4 Si","C[Si](C)(C)COC(=O)NCCCC[CH](N)C(O)=O;C[Si](C)(C)COC(=O)NCCCCC(C(=O)O)N","InChI=1S/C11H24N2O4Si/c1-18(2,3)8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,4-8,12H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1","","2018-08-16","2019-04-12","(2~{S})-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid","2019-04-17"],["9VG","methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate","C29 H19 N O7","COC(=O)[C@H]=C(C)C21C3Nc6c(C1(O2)C(C#CC=CC#C3)O)cc(c4c6C(c5c(C4=O)cccc5)=O)O;COC(=O)C=C(C)[C]12O[C]13[CH](O)C#CC=CC#C[CH]2Nc4c3cc(O)c5C(=O)c6ccccc6C(=O)c45;CC(=CC(=O)OC)C12C3C#CC=CC#CC(C1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O","InChI=1S/C29H19NO7/c1-15(13-22(33)36-2)28-20-11-5-3-4-6-12-21(32)29(28,37-28)18-14-19(31)23-24(25(18)30-20)27(35)17-10-8-7-9-16(17)26(23)34/h3-4,7-10,13-14,20-21,30-32H,1-2H3/b4-3-,15-13+/t20-,21+,28-,29-/m0/s1","","2017-06-14","2018-06-01","methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate","2018-06-06"],["LJ8","(2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid","C18 H28 N O5 P","C[CH](CCc1ccccc1)CC[P](O)(=O)C[CH](CCC(N)=O)C(O)=O;CC(CCc1ccccc1)CCP(=O)(CC(CCC(=O)N)C(=O)O)O","InChI=1S/C18H28NO5P/c1-14(7-8-15-5-3-2-4-6-15)11-12-25(23,24)13-16(18(21)22)9-10-17(19)20/h2-6,14,16H,7-13H2,1H3,(H2,19,20)(H,21,22)(H,23,24)/t14-,16+/m0/s1","","2019-08-19","2020-03-06","(2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid","2020-03-11"],["LJ9","3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole","C21 H24 N4","n2c(c1ccc(cc1n2c3ccccc3)N5CC4CNCC4C5)CC;CCc1nn(c2ccccc2)c3cc(ccc13)N4C[CH]5CNC[CH]5C4;CCc1c2ccc(cc2n(n1)c3ccccc3)N4CC5CNCC5C4","InChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3/t15-,16+","","2011-04-26","2011-07-29","3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole",""],["9VH","[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid","C6 H13 N O5 S","O[CH]1CNC[CH](C[S](O)(=O)=O)[CH]1O;C1C(C(C(CN1)O)O)CS(=O)(=O)O","InChI=1S/C6H13NO5S/c8-5-2-7-1-4(6(5)9)3-13(10,11)12/h4-9H,1-3H2,(H,10,11,12)/t4-,5-,6-/m1/s1","","2017-07-18","2018-08-03","[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid","2018-08-08"],["LJA","N-[3-(carbamoylamino)phenyl]acetamide","C9 H11 N3 O2","N(C(C)=O)c1cccc(c1)NC(N)=O;CC(=O)Nc1cccc(NC(N)=O)c1;CC(=O)Nc1cccc(c1)NC(=O)N","InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)","","2019-02-22","2019-05-03","N-[3-(carbamoylamino)phenyl]acetamide","2019-05-08"],["9VI","N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide","C34 H27 Cl F5 N9 O4 S","CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2cccnc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2C=CCCc21)C(F)(F)F;Cn1nc(N[S](C)(=O)=O)c2c(Cl)ccc(N3C(=O)c4cccnc4N=C3[CH](Cc5cc(F)cc(F)c5)NC(=O)Cn6nc(c7C=CCCc67)C(F)(F)F)c12;Cn1c2c(ccc(c2c(n1)NS(=O)(=O)C)Cl)N3C(=O)c4cccnc4N=C3C(Cc5cc(cc(c5)F)F)NC(=O)Cn6c7c(c(n6)C(F)(F)F)C=CCC7","InChI=1S/C34H27ClF5N9O4S/c1-47-28-25(10-9-22(35)27(28)31(45-47)46-54(2,52)53)49-32(43-30-21(33(49)51)7-5-11-41-30)23(14-17-12-18(36)15-19(37)13-17)42-26(50)16-48-24-8-4-3-6-20(24)29(44-48)34(38,39)40/h3,5-7,9-13,15,23H,4,8,14,16H2,1-2H3,(H,42,50)(H,45,46)/t23-/m0/s1","","2021-10-29","2022-09-30","N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide","2022-10-05"],["LJB","MO(8)-O(26) Cluster","H15 Mo8 O26","O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O[Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+]79)[O++]168)[O+]2%10;O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O","InChI=1S/8Mo.15H2O.11O/h;;;;;;;;15*1H2;;;;;;;;;;;/q2*+1;5*+2;+3;;;;;;;;;;;;;;;;;;;;;5*+1;+2/p-15","","2019-08-20","2019-12-13","","2019-12-18"],["9VK","(2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C24 H31 N O3 S","Cc1sc(c2ccccn2)c(C3=CCC(C)(C)CC3)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)C(C(=O)O)OC(C)(C)C","InChI=1S/C24H31NO3S/c1-15-18(20(22(26)27)28-23(2,3)4)19(16-10-12-24(5,6)13-11-16)21(29-15)17-9-7-8-14-25-17/h7-10,14,20H,11-13H2,1-6H3,(H,26,27)/t20-/m0/s1","","2017-07-18","2018-03-02","(2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2018-03-07"],["LJC","(1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","C17 H20 O6","COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2;COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O)O","InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17-/m1/s1","","2022-07-05","2023-01-27","(1~{S},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","2023-02-01"],["9VL","(2S)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid","C14 H19 Br N2 O4","N[CH](CCCCNC(=O)OCc1ccccc1Br)C(O)=O;c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)Br","InChI=1S/C14H19BrN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1","","2018-08-16","2019-04-12","(2~{S})-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid","2019-04-17"],["LJD","N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide","C12 H12 Cl N3 O","n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C;Cn1cc(cn1)C(=O)NCc2ccc(Cl)cc2;Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl","InChI=1S/C12H12ClN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17)","","2019-02-22","2019-05-03","N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide","2019-05-08"],["9VN","(2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C24 H31 N O3 S","Cc1sc(c2ccncc2)c(C3=CCC(C)(C)CC3)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)C(C(=O)O)OC(C)(C)C","InChI=1S/C24H31NO3S/c1-15-18(20(22(26)27)28-23(2,3)4)19(16-7-11-24(5,6)12-8-16)21(29-15)17-9-13-25-14-10-17/h7,9-10,13-14,20H,8,11-12H2,1-6H3,(H,26,27)/t20-/m0/s1","","2017-07-18","2018-03-02","(2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2018-03-07"],["9VO","N-(phenylmethyl)pyridin-2-amine","C12 H12 N2","C(Nc1ccccn1)c2ccccc2;c1ccc(cc1)CNc2ccccn2","InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)","","2021-11-22","2022-08-22","~{N}-(phenylmethyl)pyridin-2-amine","2022-01-26"],["LJE","N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide","C24 H17 F3 N4 O2","FC(F)(F)c1cccc(c1)C(=O)Nc4ccc(Oc2ncccc2c3ncncc3)c(c4)C;Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1Oc3ncccc3c4ccncn4;Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C24H17F3N4O2/c1-15-12-18(31-22(32)16-4-2-5-17(13-16)24(25,26)27)7-8-21(15)33-23-19(6-3-10-29-23)20-9-11-28-14-30-20/h2-14H,1H3,(H,31,32)","","2010-08-02","2011-06-04","N-(3-methyl-4-{[3-(pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide",""],["LJF","N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide","C29 H21 F N6 O2","O=C(c2ccccc2Nc1ccccc1)Nc5ccc(Oc4ncccc4c3nc(/N=C)ncc3F)cc5;Fc1cnc(N=C)nc1c2cccnc2Oc3ccc(NC(=O)c4ccccc4Nc5ccccc5)cc3;C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F","InChI=1S/C29H21FN6O2/c1-31-29-33-18-24(30)26(36-29)23-11-7-17-32-28(23)38-21-15-13-20(14-16-21)35-27(37)22-10-5-6-12-25(22)34-19-8-3-2-4-9-19/h2-18,34H,1H2,(H,35,37)","","2010-08-02","2011-06-04","N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide",""],["9VP","5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid","C11 H18 F N O7","OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C;CC(=O)N[CH]1C[CH](F)[CH](O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1CC(C(OC1C(C(CO)O)O)C(=O)O)F","InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1","5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid","2017-06-15","2024-09-27","5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid","2018-02-21"],["LJG","N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]","C24 H39 N5 O4 S2","O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CCNCCN(CC(C)C)S(=O)(=O)c2ccc(N)cc2;CC(C)CN(CCNCCN(CC(C)C)[S](=O)(=O)c1ccc(N)cc1)[S](=O)(=O)c2ccc(N)cc2;CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N","InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3","","2007-11-29","2011-06-04","N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]",""],["9VQ","[4-(pyrazol-1-ylmethyl)phenyl]methanol","C11 H12 N2 O","OCc1ccc(Cn2cccn2)cc1;c1cnn(c1)Cc2ccc(cc2)CO","InChI=1S/C11H12N2O/c14-9-11-4-2-10(3-5-11)8-13-7-1-6-12-13/h1-7,14H,8-9H2","","2017-07-19","2018-02-09","[4-(pyrazol-1-ylmethyl)phenyl]methanol","2018-02-14"],["LJH","N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)","C30 H35 N5 O4 S2","O=S(=O)(c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc3)S(=O)(=O)c4ccc(N)cc4;Nc1ccc(cc1)[S](=O)(=O)N(CCNCCN(Cc2ccccc2)[S](=O)(=O)c3ccc(N)cc3)Cc4ccccc4;c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2","","2007-11-29","2011-06-04","N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)",""],["9VR","(2S)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid","C16 H19 F3 N4 O4","N[CH](CCCCNC(=O)OCc1ccc(cc1)C2(N=N2)C(F)(F)F)C(O)=O;c1cc(ccc1COC(=O)NCCCCC(C(=O)O)N)C2(N=N2)C(F)(F)F","InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-6-4-10(5-7-11)9-27-14(26)21-8-2-1-3-12(20)13(24)25/h4-7,12H,1-3,8-9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1","","2018-08-16","2019-04-12","(2~{S})-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid","2019-04-17"],["LJJ","N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine","C10 H17 N3 O","n2nc(NC1CCCCCC1)oc2C;Cc1oc(NC2CCCCCC2)nn1;Cc1nnc(o1)NC2CCCCCC2","InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13)","","2019-02-22","2019-05-03","N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine","2019-05-08"],["9VS","cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol","C38 H43 N7 O3","OC1CCC(CC1)Nc7c(c3ccc(CN2CCN(C)CC2)cc3)cnc(Nc6ccc(C#Cc5nccc(C4OCCO4)c5)cc6)n7;CN1CCN(CC1)Cc2ccc(cc2)c3cnc(Nc4ccc(cc4)C#Cc5cc(ccn5)C6OCCO6)nc3N[CH]7CC[CH](O)CC7;CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7","InChI=1S/C38H43N7O3/c1-44-18-20-45(21-19-44)26-28-2-7-29(8-3-28)35-25-40-38(43-36(35)41-31-12-14-34(46)15-13-31)42-32-9-4-27(5-10-32)6-11-33-24-30(16-17-39-33)37-47-22-23-48-37/h2-5,7-10,16-17,24-25,31,34,37,46H,12-15,18-23,26H2,1H3,(H2,40,41,42,43)/t31-,34+","","2017-06-15","2019-09-06","cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol","2019-09-11"],["LJK","3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide","C10 H17 N3 O","O=C(NC(C)(C)CC)c1cc(C)n[NH]1;CCC(C)(C)NC(=O)c1[nH]nc(C)c1;CCC(C)(C)NC(=O)c1cc(n[nH]1)C","InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13)","","2022-03-04","2022-03-11","3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide","2022-03-16"],["9VT","5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine","C10 H15 N5 S","CCNc1sc(Cn2nc(C)cc2C)nn1;CCNc1nnc(s1)Cn2c(cc(n2)C)C","InChI=1S/C10H15N5S/c1-4-11-10-13-12-9(16-10)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13)","","2017-07-19","2018-02-09","5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine","2018-02-14"],["LJL","(1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","C17 H20 O6","COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2;COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O)O","InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m1/s1","","2022-07-05","2023-01-27","(1~{R},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","2023-02-01"],["9VU","(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one","C18 H14 Br N O5","Brc1c(ccc2c1C(O)(C(=O)N2)CC(=O)c3ccc4OCOc4c3)C;Cc1ccc2NC(=O)[C](O)(CC(=O)c3ccc4OCOc4c3)c2c1Br;Cc1ccc2c(c1Br)C(C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O","InChI=1S/C18H14BrNO5/c1-9-2-4-11-15(16(9)19)18(23,17(22)20-11)7-12(21)10-3-5-13-14(6-10)25-8-24-13/h2-6,23H,7-8H2,1H3,(H,20,22)/t18-/m0/s1","","2013-05-30","2014-09-05","(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-bromo-3-hydroxy-5-methyl-1,3-dihydro-2H-indol-2-one","2013-07-17"],["9VV","~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide","C28 H29 F N10 O","Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(NC(C)=O)c6ccc(F)cc6)c3c2;CC(=O)NC(C)(c1ccc(cc1)F)c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C","InChI=1S/C28H29FN10O/c1-19(40)35-28(2,22-4-6-24(29)7-5-22)23-14-30-27(31-15-23)38-10-8-37(9-11-38)26-25-12-20(17-39(25)34-18-32-26)21-13-33-36(3)16-21/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1","","2023-07-17","2023-12-22","~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide","2023-12-27"],["LJM","5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide","C13 H13 F N2 O S","n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC;CCc1sc(nc1)C(=O)NCc2ccc(F)cc2;CCc1cnc(s1)C(=O)NCc2ccc(cc2)F","InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)","","2019-02-22","2019-05-03","5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide","2019-05-08"],["LJN","[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H17 N4 O8 P","CC(=O)NCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CC(=O)NCc1cn(nn1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H17N4O8P/c1-5(15)11-2-6-3-14(13-12-6)10-9(17)8(16)7(22-10)4-21-23(18,19)20/h3,7-10,16-17H,2,4H2,1H3,(H,11,15)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1","","2019-08-20","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2020-03-18"],["9VW","1-cyclohexyl-3-(pyridin-3-ylmethyl)urea","C13 H19 N3 O","O=C(NCc1cccnc1)NC2CCCCC2;c1cc(cnc1)CNC(=O)NC2CCCCC2","InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)","","2017-07-19","2018-02-09","1-cyclohexyl-3-(pyridin-3-ylmethyl)urea","2018-02-14"],["LJO","(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide","C12 H13 N3 O2","N#CC1(CCOC1)C(=O)Nc1cnccc1C;Cc1ccncc1NC(=O)[C]2(CCOC2)C#N;Cc1ccncc1NC(=O)C2(CCOC2)C#N","InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/t12-/m1/s1","","2023-08-15","2023-11-03","(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide","2023-11-08"],["9VY","2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide","C32 H24 F2 N4 O5 S","n4c2c(OCn3c1cccc(c1cc23)F)ccc4c7cc6c(C(NC)=O)c(c5ccc(cc5)F)oc6cc7N(C)S(C)(=O)=O;CNC(=O)c1c(oc2cc(N(C)[S](C)(=O)=O)c(cc12)c3ccc4OCn5c6cccc(F)c6cc5c4n3)c7ccc(F)cc7;CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F","InChI=1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)","","2017-06-15","2017-08-11","2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide","2017-08-16"],["LJP","N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide","C16 H20 N4 O3 S","CC1(OC(c3c(C1)c(c(NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C;CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1;CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C","InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)","","2019-02-22","2019-06-21","N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide","2019-06-26"],["9VZ","ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate","C11 H15 N O2 S","CCOC(=O)[CH]1CCc2nc(C)sc2C1;CCOC(=O)C1CCc2c(sc(n2)C)C1","InChI=1S/C11H15NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h8H,3-6H2,1-2H3/t8-/m1/s1","","2017-07-19","2018-02-09","ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate","2018-02-14"],["LJQ","[(2~{S})-1-dodecanoyloxy-3-oxidanyl-propan-2-yl] pentadecanoate","C30 H58 O5","CCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCCCCC;CCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC","InChI=1S/C30H58O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(33)35-28(26-31)27-34-29(32)24-22-20-18-16-12-10-8-6-4-2/h28,31H,3-27H2,1-2H3/t28-/m0/s1","","2019-08-20","2025-09-26","[(2~{S})-1-dodecanoyloxy-3-oxidanyl-propan-2-yl] pentadecanoate","2025-10-01"],["9W1","(4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone","C20 H22 N6 O3","n1onc(c1C(N2CC(CC2)c3cc(cc(n3)C)Nc4cc(ccc4)OC)=O)N;COc1cccc(Nc2cc(C)nc(c2)[CH]3CCN(C3)C(=O)c4nonc4N)c1;Cc1cc(cc(n1)C2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC","InChI=1S/C20H22N6O3/c1-12-8-15(23-14-4-3-5-16(9-14)28-2)10-17(22-12)13-6-7-26(11-13)20(27)18-19(21)25-29-24-18/h3-5,8-10,13H,6-7,11H2,1-2H3,(H2,21,25)(H,22,23)/t13-/m1/s1","","2017-06-15","2017-06-23","(4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone","2017-06-28"],["LJR","1-cyclohexyl-N-methylmethanesulfonamide","C8 H17 N O2 S","O=S(=O)(CC1CCCCC1)NC;CN[S](=O)(=O)CC1CCCCC1;CNS(=O)(=O)CC1CCCCC1","InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3","","2022-03-04","2022-03-11","1-cyclohexyl-N-methylmethanesulfonamide","2022-03-16"],["9W2","~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide","C11 H16 N4 O","CC(=O)NC1CCN(CC1)c2ncccn2;CC(=O)NC1CCN(CC1)c2ncccn2","InChI=1S/C11H16N4O/c1-9(16)14-10-3-7-15(8-4-10)11-12-5-2-6-13-11/h2,5-6,10H,3-4,7-8H2,1H3,(H,14,16)","","2017-07-19","2018-02-09","~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide","2018-02-14"],["LJS","(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid","C13 H18 N2 O10 P2","N1C(C)=C(O)C(C(=C1)COP(O)(=O)O)=[C@H]N=C(C(O)=O)[C@H]=[C@H]CP(O)(=O)O;CC1=C(O)C(=CN=C(C=CC[P](O)(O)=O)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(C=CCP(=O)(O)O)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5-6,14,16H,4,7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2-,10-6-,15-11+","","2019-02-25","2019-03-08","(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid","2019-03-13"],["9W3","4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile","C28 H30 N8 O2","N#Cc1ccc(cc1)Nc1nc(nc(Nc2c(C)cc(C=CC#N)cc2C)n1)OCCCN1CCOCC1;Cc1cc(C=CC#N)cc(C)c1Nc2nc(Nc3ccc(cc3)C#N)nc(OCCCN4CCOCC4)n2;Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)C=CC#N","InChI=1S/C28H30N8O2/c1-20-17-23(5-3-10-29)18-21(2)25(20)32-27-33-26(31-24-8-6-22(19-30)7-9-24)34-28(35-27)38-14-4-11-36-12-15-37-16-13-36/h3,5-9,17-18H,4,11-16H2,1-2H3,(H2,31,32,33,34,35)/b5-3+","","2021-10-29","2022-03-11","4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile","2022-03-16"],["LJT","2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol","C23 H30 Cl N3 O3 S","COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(CCO)CC4)c2cc1OC;COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl","InChI=1S/C23H30ClN3O3S/c1-29-20-15-19-23(16-21(20)30-2)31-22-5-4-17(24)14-18(22)27(19)7-3-6-25-8-10-26(11-9-25)12-13-28/h4-5,14-16,28H,3,6-13H2,1-2H3","","2019-08-20","2020-09-04","2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol","2020-09-09"],["9W4","4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide","C22 H19 N5 O4 S","N(C(=O)c1ccc(cc1)CN2C(=O)C=NC2=O)c4ccc3nc(sc3c4)N5CCOCC5;O=C(Nc1ccc2nc(sc2c1)N3CCOCC3)c4ccc(CN5C(=O)C=NC5=O)cc4;c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5","InChI=1S/C22H19N5O4S/c28-19-12-23-21(30)27(19)13-14-1-3-15(4-2-14)20(29)24-16-5-6-17-18(11-16)32-22(25-17)26-7-9-31-10-8-26/h1-6,11-12H,7-10,13H2,(H,24,29)","","2017-06-15","2017-06-23","4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide","2017-06-28"],["LJU","(1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","C17 H20 O6","COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2;COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O)O","InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m0/s1","","2022-07-05","2023-01-27","(1~{S},2~{R})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol","2023-02-01"],["9W5","5-methyl-2-(phenylmethyl)pyrazol-3-amine","C11 H13 N3","Cc1cc(N)n(Cc2ccccc2)n1;Cc1cc(n(n1)Cc2ccccc2)N","InChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3","","2017-07-19","2018-02-09","5-methyl-2-(phenylmethyl)pyrazol-3-amine","2018-02-14"],["LJV","6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile","C17 H13 Cl N4 O","Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#N;Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N;Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N","InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)","","2019-02-27","2019-06-21","6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile","2019-06-26"],["9W6","ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate","C15 H12 N4 O4 S2","N(C(OCC)=O)C(=O)c1ccsc1NC(c3sc2ccncc2n3)=O;CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccncc3n2;CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2","InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)","","2017-06-05","2017-09-08","ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate","2017-09-13"],["LJW","4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide","C13 H17 N3 O S","CNc1ccc(OC(C)C)c2sc(cc12)C(N)=N;CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)NC","InChI=1S/C13H17N3OS/c1-7(2)17-10-5-4-9(16-3)8-6-11(13(14)15)18-12(8)10/h4-7,16H,1-3H3,(H3,14,15)","","2019-08-20","2020-06-12","4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide","2020-06-17"],["9W7","2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol","C14 H11 Cl F N O4","Clc2cc(ccc2Oc1cc(F)c(cc1O)CC)[N+]([O-])=O;CCc1cc(O)c(Oc2ccc(cc2Cl)[N+]([O-])=O)cc1F;CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O","InChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3","","2014-10-27","2015-02-27","2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol","2015-03-04"],["9W8","2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one","C16 H20 N4 O","CC1=CC(=O)C(=C(C)N1)C2CCN(CC2)c3ncccn3;CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3","InChI=1S/C16H20N4O/c1-11-10-14(21)15(12(2)19-11)13-4-8-20(9-5-13)16-17-6-3-7-18-16/h3,6-7,10,13H,4-5,8-9H2,1-2H3,(H,19,21)","","2017-07-19","2018-02-09","2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one","2018-02-14"],["LJX","(2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol","C19 H21 N5 O3 S","OC1C(O)COC1n1c2nc(C#CCCCC)nc(N)c2nc1c1cccs1;CCCCC#Cc1nc(N)c2nc(n([CH]3OC[CH](O)[CH]3O)c2n1)c4sccc4;CCCCC#Cc1nc(c2c(n1)n(c(n2)c3cccs3)C4C(C(CO4)O)O)N","InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1","","2022-05-17","2022-08-26","(2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol","2022-08-31"],["LJY","4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile","C18 H14 Cl N3 O2","COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)C#N;COc1cc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N;COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl","InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)","","2019-02-27","2019-06-21","4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile","2019-06-26"],["9W9","3-oxidanylbenzenecarbonitrile","C7 H5 N O","Oc1cccc(c1)C#N;c1cc(cc(c1)O)C#N","InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H","Darunavir; TMC114; UIC-94017","2021-11-22","2022-11-25","3-oxidanylbenzenecarbonitrile","2022-11-30"],["9WA","(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol","C31 H24 Cl F3 N6 O2","c1cc4c(cc1C(c2ccc(nc2)C(F)(F)F)(c3cncn3C)O)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl;COc1nc2ccc(cc2c(Cl)c1Cc3ccc(cc3)n4cccn4)[C](O)(c5ccc(nc5)C(F)(F)F)c6cncn6C;Cn1cncc1C(c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O","InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3/t30-/m1/s1","","2017-06-16","2017-12-22","(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol","2017-12-27"],["LJZ","4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]","C28 H24 Cl2 N6 O4","Clc1ccccc1NC(=O)CCC(=O)/N=N/C=C3C=C/C(=CN=NC(=O)CCC(=O)Nc2ccccc2Cl)C=C3;Clc1ccccc1NC(=O)CCC(=O)N=NC=C2C=CC(C=C2)=CN=NC(=O)CCC(=O)Nc3ccccc3Cl;c1ccc(c(c1)NC(=O)CCC(=O)N=NC=C2C=CC(=CN=NC(=O)CCC(=O)Nc3ccccc3Cl)C=C2)Cl","InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+","","2010-04-21","2011-06-04","4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]",""],["LK0","methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","C39 H53 N5 O7","O=C(OC)NC(C(=O)NC(Cc1ccccc1)CC(O)C(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2cccnc2)cc3)C(C)(C)C;COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccc(cc1)c2cccnc2)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C;CC(C)(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccc(cc2)c3cccnc3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC","InChI=1S/C39H53N5O7/c1-38(2,3)32(43-36(48)50-7)34(46)41-29(21-25-13-10-9-11-14-25)23-31(45)30(42-35(47)33(39(4,5)6)44-37(49)51-8)22-26-16-18-27(19-17-26)28-15-12-20-40-24-28/h9-20,24,29-33,45H,21-23H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t29-,30-,31-,32+,33+/m0/s1","","2011-06-03","2012-04-06","methyl {(5S,8S,10S,11S,14S)-8-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-11-[4-(pyridin-3-yl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate (non-preferred name)",""],["9WB","2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one","C13 H13 N O","CC1=CC(=O)C(=C(C)N1)c2ccccc2;CC1=CC(=O)C(=C(N1)C)c2ccccc2","InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)","","2017-07-19","2018-02-09","2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one","2018-02-14"],["LK1","N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID","C19 H23 N O7 S","O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc(OCCCC)c2)CCC(=O)O;CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O;CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1","","2007-02-01","2011-06-04","N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid",""],["9WC","1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione","C22 H18 N2 O5","CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4;CN1c2ccc(cc2C(=O)N(C1=O)c3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C22H18N2O5/c1-23-16-11-10-13(20(27)19-17(25)8-5-9-18(19)26)12-15(16)21(28)24(22(23)29)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3","","2022-03-14","2022-05-27","1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione","2022-06-01"],["9WD","1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one","C32 H33 Cl N6 O3","c4(c(OC)nc3ccc(C(c1cncn1C)(O)C2CCN(C(C)=O)CC2)cc3c4Cl)Cc6ccc(n5nccc5)cc6;COc1nc2ccc(cc2c(Cl)c1Cc3ccc(cc3)n4cccn4)[C](O)(C5CCN(CC5)C(C)=O)c6cncn6C;CC(=O)N1CCC(CC1)C(c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O","InChI=1S/C32H33ClN6O3/c1-21(40)38-15-11-23(12-16-38)32(41,29-19-34-20-37(29)2)24-7-10-28-26(18-24)30(33)27(31(36-28)42-3)17-22-5-8-25(9-6-22)39-14-4-13-35-39/h4-10,13-14,18-20,23,41H,11-12,15-17H2,1-3H3/t32-/m1/s1","","2017-06-16","2017-12-22","1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one","2017-12-27"],["LK2","N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID","C19 H23 N O7 S","O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc(OCCCC)c2)CCC(=O)O;CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O;CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1","","2007-02-01","2011-06-04","N-[(6-butoxynaphthalen-2-yl)sulfonyl]-D-glutamic acid",""],["9WE","1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea","C16 H20 N6 O","O=C(NCc1cccnc1)NC2CCN(CC2)c3ncccn3;c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3","InChI=1S/C16H20N6O/c23-16(20-12-13-3-1-6-17-11-13)21-14-4-9-22(10-5-14)15-18-7-2-8-19-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H2,20,21,23)","","2017-07-19","2018-02-09","1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea","2018-02-14"],["LK3","N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID","C20 H25 N O7 S","O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc(OCCCCC)c2)CCC(=O)O;CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O;CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H25NO7S/c1-2-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21-18(20(24)25)9-10-19(22)23/h5-8,12-13,18,21H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1","","2007-03-06","2011-06-04","N-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-D-glutamic acid",""],["LK4","N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID","C23 H20 N2 O7 S","O=C(O)C(NS(=O)(=O)c1ccc3c(c1)ccc(OCc2ccc(C#N)cc2)c3)CCC(=O)O;OC(=O)CC[CH](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)C(O)=O;c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)NC(CCC(=O)O)C(=O)O)C#N","InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1","","2007-03-06","2011-06-04","N-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid",""],["9WG","4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one","C18 H15 F N4 O","c3(c1c2C(N(Cc2ncc1)C)=O)cn(C)nc3c4ccc(F)cc4;CN1Cc2nccc(c3cn(C)nc3c4ccc(F)cc4)c2C1=O;Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C","InChI=1S/C18H15FN4O/c1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3","","2017-06-17","2017-06-23","4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one","2017-06-28"],["9WH","5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine","C17 H16 Cl F N8 S","Cc1cc(N)n(Cc2sc(Nc3ccn(Cc4c(F)cccc4Cl)n3)nn2)n1;Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N","InChI=1S/C17H16ClFN8S/c1-10-7-14(20)27(24-10)9-16-22-23-17(28-16)21-15-5-6-26(25-15)8-11-12(18)3-2-4-13(11)19/h2-7H,8-9,20H2,1H3,(H,21,23,25)","","2017-07-19","2018-02-09","5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine","2018-02-14"],["LK5","(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID","C17 H27 N O4","O=CC(C2NC(=C1C(OCCCC)CCCC12)C(=O)O)CC;CCCCO[CH]1CCC[CH]2[CH](NC(=C12)C(O)=O)[CH](CC)C=O;CCCCOC1CCCC2C1=C(NC2C(CC)C=O)C(=O)O","InChI=1S/C17H27NO4/c1-3-5-9-22-13-8-6-7-12-14(13)16(17(20)21)18-15(12)11(4-2)10-19/h10-13,15,18H,3-9H2,1-2H3,(H,20,21)/t11-,12+,13+,15+/m0/s1","","2007-06-15","2024-09-27","(1S,4R,7aR)-4-butoxy-1-[(1R)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid",""],["LK6","N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide","C9 H15 N O3 S","O=S1(=O)CCC(C)(NC(=O)C2CC2)C1;C[C]1(CC[S](=O)(=O)C1)NC(=O)C2CC2;CC1(CCS(=O)(=O)C1)NC(=O)C2CC2","InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1","","2022-03-04","2022-03-11","N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide","2022-03-16"],["9WI","(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile","C22 H17 N7","N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)n2cc(cc2cc1C)C#N;Cc1cc2cc(cn2c(C)c1Nc3ccnc(Nc4ccc(cc4)C#N)n3)C#N;Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N","InChI=1S/C22H17N7/c1-14-9-19-10-17(12-24)13-29(19)15(2)21(14)27-20-7-8-25-22(28-20)26-18-5-3-16(11-23)4-6-18/h3-10,13H,1-2H3,(H2,25,26,27,28)","","2021-10-29","2022-03-11","(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile","2022-03-16"],["LK7","(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID","C14 H19 N O4","O=C/C(=C/C)C1NC(=C2C1CCCC2OC)C(=O)O;CO[CH]1CCC[CH]2[CH](NC(=C12)C(O)=O)C(=CC)C=O;CC=C(C=O)C1C2CCCC(C2=C(N1)C(=O)O)OC","InChI=1S/C14H19NO4/c1-3-8(7-16)12-9-5-4-6-10(19-2)11(9)13(15-12)14(17)18/h3,7,9-10,12,15H,4-6H2,1-2H3,(H,17,18)/b8-3-/t9-,10-,12-/m0/s1","","2007-06-15","2024-09-27","(1R,4S,7aS)-1-[(1E)-1-formylprop-1-en-1-yl]-4-methoxy-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid",""],["9WJ","4-acetamido-4,6-dideoxy-beta-D-mannopyranose","C8 H15 N O5","OC1C(C(OC(C1NC(=O)C)C)O)O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O;CC1C(C(C(C(O1)O)O)O)NC(=O)C","InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1","4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose; 4-(acetylamino)-4-deoxy-beta-D-rhamnopyranose;\n4-acetamido-4,6-dideoxy-beta-D-mannose; 4-acetamido-4,6-dideoxy-D-mannose; 4-acetamido-4,6-dideoxy-mannose","2017-06-19","2020-07-17","4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose","2018-10-24"],["LK8","(2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide","C25 H22 Cl2 F3 N3 O3","CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl;Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCCC4C(=O)NC)Cl)C(F)(F)F","InChI=1S/C25H22Cl2F3N3O3/c1-13-11-17(25(28,29)30)14-5-3-7-20(22(14)32-13)36-12-16-18(26)9-8-15(21(16)27)24(35)33-10-4-6-19(33)23(34)31-2/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3,(H,31,34)/t19-/m0/s1","","2019-08-21","2020-09-04","(2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide","2020-09-09"],["9WK","4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide","C19 H18 Cl F N4 O","Cc1cc(N)n(Cc2ccc(cc2)C(=O)NCc3ccc(F)cc3Cl)n1;Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N","InChI=1S/C19H18ClFN4O/c1-12-8-18(22)25(24-12)11-13-2-4-14(5-3-13)19(26)23-10-15-6-7-16(21)9-17(15)20/h2-9H,10-11,22H2,1H3,(H,23,26)","","2017-07-19","2018-02-09","4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide","2018-02-14"],["9WM","(2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid","C11 H17 F N O7","OC(=O)C=1C(F)CC(C([O+]=1)C(O)C(CO)O)NC(=O)C;CC(=O)N[CH]1C[CH](F)C(=[O+][CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1CC(C(=[O+]C1C(C(CO)O)O)C(=O)O)F","InChI=1S/C11H16FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-8,10,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7-,8-,10-/m1/s1","","2017-06-19","2018-02-16","(2R,3R,5R)-3-(acetylamino)-6-carboxy-5-fluoro-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3,4,5-tetrahydropyranium (non-preferred name)","2018-02-21"],["LK9","3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol","C19 H15 N3 O","Nc1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4;c1ccc(cc1)Cc2c(nc3ccc4cc(ccc4c3n2)O)N","InChI=1S/C19H15N3O/c20-19-17(10-12-4-2-1-3-5-12)21-18-15-8-7-14(23)11-13(15)6-9-16(18)22-19/h1-9,11,23H,10H2,(H2,20,22)","","2022-07-05","2022-10-14","3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol","2022-10-19"],["9WN","(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid","C9 H16 O9","OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O","InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7-,9-/m1/s1","(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic\nacid; (2R)-2-(alpha-D-glucosyloxy)-3-hydroxypropanoic acid; (2R)-2-(D-glucosyloxy)-3-hydroxypropanoic acid;\n(2R)-2-(glucosyloxy)-3-hydroxypropanoic acid","2017-07-20","2020-07-17","(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic\nacid","2018-08-08"],["LKA","5-thio-alpha-D-mannopyranosylamine","C6 H13 N O4 S","OC1C(O)C(SC(N)C1O)CO;N[CH]1S[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(S1)N)O)O)O)O","InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1","5-THIO-A/B-D-MANNOPYRANOSYLAMINE; 5-thio-alpha-D-mannosylamine; 5-thio-D-mannosylamine; 5-thio-mannosylamine","2003-10-07","2020-07-17","5-thio-alpha-D-mannopyranosylamine",""],["9WO","N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide","C22 H22 N6 O","c2c1ccccc1nc2C(NC3CCCN(C3)c4cc(nn4)c5ccncc5)=O;O=C(N[CH]1CCCN(C1)c2[nH]nc(c2)c3ccncc3)c4[nH]c5ccccc5c4;c1ccc2c(c1)cc([nH]2)C(=O)NC3CCCN(C3)c4cc(n[nH]4)c5ccncc5","InChI=1S/C22H22N6O/c29-22(20-12-16-4-1-2-6-18(16)25-20)24-17-5-3-11-28(14-17)21-13-19(26-27-21)15-7-9-23-10-8-15/h1-2,4,6-10,12-13,17,25H,3,5,11,14H2,(H,24,29)(H,26,27)/t17-/m0/s1","","2018-08-22","2019-08-09","N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide","2019-08-14"],["LKB","~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide","C20 H13 N5 O","O=C(Nc1c[nH]c2ncc(cc12)c3ccc(cc3)C#N)c4cccnc4;c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N","InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)","","2016-05-26","2016-06-03","~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide","2016-06-08"],["9WP","4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide","C24 H25 F3 N2 O3","c1cc(O)c(c2c(c(oc12)C)C(Nc3ccc(cc3)C(F)(F)F)=O)CN4CCCCCC4;Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)Nc4ccc(cc4)C(F)(F)F;Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F","InChI=1S/C24H25F3N2O3/c1-15-21(23(31)28-17-8-6-16(7-9-17)24(25,26)27)22-18(19(30)10-11-20(22)32-15)14-29-12-4-2-3-5-13-29/h6-11,30H,2-5,12-14H2,1H3,(H,28,31)","","2017-06-20","2018-10-19","4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide","2018-10-24"],["LKC","4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE","C11 H15 N3 O5","O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)CO)C;CC1=CN([CH]2O[C]3(CO)CO[CH]2[CH]3O)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)CO)O","InChI=1S/C11H15N3O5/c1-5-2-14(10(17)13-8(5)12)9-6-7(16)11(3-15,19-9)4-18-6/h2,6-7,9,15-16H,3-4H2,1H3,(H2,12,13,17)/t6-,7+,9-,11+/m1/s1","","2002-06-27","2011-06-04","4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylpyrimidin-2(1H)-one",""],["LKD","3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide","C29 H28 Cl F2 N3 O2 S","C5(NC)CCC(N(C(=O)c2c(Cl)c1c(c(ccc1F)F)s2)Cc3c(ccc(c3)c4ccncc4)OC)CC5;CN[CH]1CC[CH](CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4sc5c(F)ccc(F)c5c4Cl;CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl","InChI=1S/C29H28ClF2N3O2S/c1-33-20-4-6-21(7-5-20)35(29(36)28-26(30)25-22(31)8-9-23(32)27(25)38-28)16-19-15-18(3-10-24(19)37-2)17-11-13-34-14-12-17/h3,8-15,20-21,33H,4-7,16H2,1-2H3/t20-,21-","","2019-02-27","2019-06-28","3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide","2019-07-03"],["9WQ","3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid","C22 H14 Cl2 N2 O4","OC(=O)C1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)c3cc(Oc4ccccc4)ccc13;c1ccc(cc1)Oc2ccc3c(c2)C(=O)N(N=C3C(=O)O)Cc4ccc(c(c4)Cl)Cl","InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29)","","2021-11-22","2022-08-22","3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid","2022-05-04"],["LKE","2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C13 H12 N6 O3","NCC1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-]","InChI=1S/C13H12N6O3/c14-6-11-16-10(13(22)19(11)7-12(20)21)5-8-1-3-9(4-2-8)17-18-15/h1-5H,6-7,14H2,(H,20,21)/b10-5-","","2019-08-21","2024-09-27","2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2021-02-17"],["9WR","[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone","C22 H21 N O5","COc3cc(C(c1nc(ccc1)c2cc(c(cc2)C)O)=O)cc(c3OC)OC;COc1cc(cc(OC)c1OC)C(=O)c2cccc(n2)c3ccc(C)c(O)c3;Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C22H21NO5/c1-13-8-9-14(10-18(13)24)16-6-5-7-17(23-16)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12,24H,1-4H3","","2018-08-22","2019-08-16","[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone","2019-08-21"],["9WS","N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide","C14 H10 Cl N3 O","c1(cnn2c1cccc2)C(Nc3c(Cl)cccc3)=O;Clc1ccccc1NC(=O)c2cnn3ccccc23;c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl","InChI=1S/C14H10ClN3O/c15-11-5-1-2-6-12(11)17-14(19)10-9-16-18-8-4-3-7-13(10)18/h1-9H,(H,17,19)","","2017-06-20","2017-10-20","N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide","2017-10-25"],["LKF","4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine","C18 H24 N6 O2","n2ccn4c(c1cn(nc1)CC(OC)C)c(nc4c2N3CCOCC3)C;CO[CH](C)Cn1cc(cn1)c2n3ccnc(N4CCOCC4)c3nc2C;Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)CC(C)OC","InChI=1S/C18H24N6O2/c1-13(25-3)11-23-12-15(10-20-23)16-14(2)21-18-17(19-4-5-24(16)18)22-6-8-26-9-7-22/h4-5,10,12-13H,6-9,11H2,1-3H3/t13-/m0/s1","","2012-09-28","2014-09-05","3-{1-[(2S)-2-methoxypropyl]-1H-pyrazol-4-yl}-2-methyl-8-(morpholin-4-yl)imidazo[1,2-a]pyrazine","2013-10-16"],["LKG","4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol","C18 H14 N4 O","n1c(ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4;Oc1ccc(Cc2nnc3ccc(nn23)c4ccccc4)cc1;c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O","InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2","","2008-03-02","2011-06-04","4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol",""],["9WT","Cefepime","C19 H25 N6 O5 S2","CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)C[N+]3(C)CCCC3)c4csc(N)n4;C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O","InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/b23-12-/t13-,17-/m1/s1","","2017-07-20","2018-05-25","(6~{R},7~{R})-7-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2018-05-30"],["LKH","4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid","C16 H11 Cl N4 O2 S","OC(=O)c1ccc(cc1)C=NN2C(=S)NN=C2c3ccc(Cl)cc3;c1cc(ccc1C=NN2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O","InChI=1S/C16H11ClN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+","","2019-08-21","2021-07-16","4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid","2021-07-21"],["9WU","~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]prop-2-enamide","C29 H29 F N10 O","Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(NC(=O)C=C)c6ccc(F)cc6)c3c2;CC(c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)NC(=O)C=C","InChI=1S/C29H29FN10O/c1-4-26(41)36-29(2,22-5-7-24(30)8-6-22)23-15-31-28(32-16-23)39-11-9-38(10-12-39)27-25-13-20(18-40(25)35-19-33-27)21-14-34-37(3)17-21/h4-8,13-19H,1,9-12H2,2-3H3,(H,36,41)/t29-/m0/s1","","2023-07-17","2023-12-22","~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]prop-2-enamide","2023-12-27"],["9WV","beta-alanyl-3-amino-L-alanine","C6 H13 N3 O3","NCC(NC(=O)CCN)C(O)=O;NCCC(=O)N[CH](CN)C(O)=O;C(CN)C(=O)NC(CN)C(=O)O","InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1","","2017-06-20","2024-09-27","beta-alanyl-3-amino-L-alanine","2017-10-04"],["LKI","3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide","C12 H11 Cl N2 O2 S","O=S(=O)(Nc1cnccc1C)c1cccc(Cl)c1;Cc1ccncc1N[S](=O)(=O)c2cccc(Cl)c2;Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl","InChI=1S/C12H11ClN2O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,1H3","","2023-08-15","2023-11-03","3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide","2023-11-08"],["LKJ","(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid","C53 H60 N8 O6","O=C(O)C(NC(=O)c3nc(C(=O)N2C(Cn1cccc1)CCC2)cc(c3)c6cc(nc(C(=O)NCc5cccc(c4ccccc4)c5)c6)C(=O)N7CCCC7CN8CCCC8)C9CCCCC9;OC(=O)[CH](NC(=O)c1cc(cc(n1)C(=O)N2CCC[CH]2Cn3cccc3)c4cc(nc(c4)C(=O)N5CCC[CH]5CN6CCCC6)C(=O)NCc7cccc(c7)c8ccccc8)C9CCCCC9;c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCCC4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCCC7Cn8cccc8)C(=O)NC(C9CCCCC9)C(=O)O","InChI=1S/C53H60N8O6/c62-49(54-33-36-14-11-19-39(28-36)37-15-3-1-4-16-37)44-29-40(31-46(55-44)51(64)60-26-12-20-42(60)34-58-22-7-8-23-58)41-30-45(50(63)57-48(53(66)67)38-17-5-2-6-18-38)56-47(32-41)52(65)61-27-13-21-43(61)35-59-24-9-10-25-59/h1,3-4,9-11,14-16,19,24-25,28-32,38,42-43,48H,2,5-8,12-13,17-18,20-23,26-27,33-35H2,(H,54,62)(H,57,63)(H,66,67)/t42-,43-,48-/m1/s1","","2010-04-21","2011-06-04","(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid",""],["9WW","N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide","C34 H27 Cl F4 N8 O4 S","CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F;Cn1nc(N[S](C)(=O)=O)c2c(Cl)ccc(N3C(=O)c4ccccc4N=C3[CH](Cc5cc(F)cc(F)c5)NC(=O)Cn6[nH]c(C(F)F)c7cccc67)c12;Cn1c2c(ccc(c2c(n1)NS(=O)(=O)C)Cl)N3C(=O)c4ccccc4N=C3C(Cc5cc(cc(c5)F)F)NC(=O)Cn6c-7cccc7c([nH]6)C(F)F","InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1","","2021-10-29","2022-09-30","N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide","2022-10-05"],["LKK","3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid","C16 H21 Br N4 O4 S","CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S](O)(=O)=O;CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O","InChI=1S/C16H21BrN4O4S/c1-3-16(4-2,26(23,24)25)15(22)18-9-14-11-21(20-19-14)10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,22)(H,23,24,25)","","2019-08-21","2024-09-27","3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid","2020-04-08"],["9WX","ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate","C23 H25 N5 O6 S","CCOC(Cn1cnc(c1)S(=O)(=O)n3c2nc(cnc2cc3)CCc4cc(cc(c4)OC)OC)=O;CCOC(=O)Cn1cnc(c1)[S](=O)(=O)n2ccc3ncc(CCc4cc(OC)cc(OC)c4)nc23;CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC","InChI=1S/C23H25N5O6S/c1-4-34-22(29)14-27-13-21(25-15-27)35(30,31)28-8-7-20-23(28)26-17(12-24-20)6-5-16-9-18(32-2)11-19(10-16)33-3/h7-13,15H,4-6,14H2,1-3H3","","2018-08-22","2019-08-16","ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate","2019-08-21"],["9WY","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-3-O-phosphono-D-ribitol","C17 H21 N4 O9 P","C1=3C(=Nc2c(N1CC(C(C(CO)O)OP(O)(O)=O)O)cc(c(C)c2)C)C(=O)NC(N=3)=O;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O[P](O)(O)=O)[CH](O)CO)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)OP(=O)(O)O)O","InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(23)14(12(24)6-22)30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11?,12-,14+/m1/s1","","2017-06-20","2018-06-08","1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-3-O-phosphono-D-ribitol","2018-06-13"],["LKL","2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol","C8 H10 Cl F N2 O","Fc1cc(Cl)cnc1N(C)CCO;CN(CCO)c1ncc(Cl)cc1F;CN(CCO)c1c(cc(cn1)Cl)F","InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3","","2022-03-04","2022-03-11","2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol","2022-03-16"],["LKM","N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID","C23 H19 F N2 O7 S","O=C(O)C(NS(=O)(=O)c1ccc3c(c1)ccc(OCc2ccc(C#N)cc2F)c3)CCC(=O)O;OC(=O)CC[CH](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O;c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1","","2008-05-14","2011-06-04","N-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid",""],["9WZ","2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside","C14 H20 O8","OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1;c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO","InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1","(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol;\n2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructoside; 2-hydroxy-4-(2-hydroxyethyl)phenyl D-fructoside;\n2-hydroxy-4-(2-hydroxyethyl)phenyl fructoside","2017-07-21","2020-07-17","(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol","2018-11-28"],["LKO","16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene","C27 H25 N2 O4","COc1ccc2c(CCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC;COc1ccc2c(c1OC)c[n+]3c(c2CCc4ccncc4)-c5cc6c(cc5CC3)OCO6","InChI=1S/C27H25N2O4/c1-30-23-6-5-19-20(4-3-17-7-10-28-11-8-17)26-21-14-25-24(32-16-33-25)13-18(21)9-12-29(26)15-22(19)27(23)31-2/h5-8,10-11,13-15H,3-4,9,12,16H2,1-2H3/q+1","","2022-07-06","2022-12-02","16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene","2022-12-07"],["9X0","N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide","C17 H19 N O3","c13c(cccc1)C(=O)C=C(C(NCC2CCCCC2)=O)O3;O=C(NCC1CCCCC1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3","InChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20)","","2018-08-22","2019-03-08","N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide","2019-03-13"],["LKP","trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol","C18 H21 F N2 O2","c23C(CC(O)C1CCC(CC1)O)n4c(c2cccc3F)cnc4;O[CH]1CC[CH](CC1)[CH](O)C[CH]2n3cncc3c4cccc(F)c24;c1cc-2c(c(c1)F)C(n3c2cnc3)CC(C4CCC(CC4)O)O","InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1","Navoximod","2019-02-27","2021-03-01","trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol","2019-07-17"],["9X1","1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}","C46 H38 Cl2 N4","c1(ccc(Cl)cc1)N(C)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c8ccc(C[n+]5ccc(c6c5cccc6)N(C)c7ccc(cc7)Cl)cc8;CN(c1ccc(Cl)cc1)c2cc[n+](Cc3ccc(cc3)c4ccc(C[n+]5ccc(N(C)c6ccc(Cl)cc6)c7ccccc57)cc4)c8ccccc28;CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl","InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2","TCD-717","2017-06-21","2020-06-17","1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}","2018-02-14"],["LKQ","~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide","C25 H24 N8 O2","COc1nn(C)cc1Nc2ncc(C)c(n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34;Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C","InChI=1S/C25H24N8O2/c1-14-11-28-25(30-20-13-33(3)32-24(20)35-4)31-21(14)18-12-27-22-17(18)7-5-9-19(22)29-23(34)16-8-6-10-26-15(16)2/h5-13,27H,1-4H3,(H,29,34)(H,28,30,31)","","2019-08-21","2020-04-24","~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide","2020-04-29"],["9X2","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide","C26 H33 N7 O3","O=C(NCC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5;c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)C5CCCN5","InChI=1S/C26H33N7O3/c34-24(21-6-3-9-27-21)30-16-17-7-12-33(13-8-17)26(36)32-23-22(28-10-11-29-23)25(35)31-20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,10-11,17,20-21,27H,3,6-9,12-16H2,(H,30,34)(H,31,35)(H,29,32,36)/t21-/m0/s1","","2021-11-22","2022-08-22","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide","2021-12-08"],["9X3","N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine","C13 H20 N2 O","O2CCN(Cc1cc(ccc1)CNC)CC2;CNCc1cccc(CN2CCOCC2)c1;CNCc1cccc(c1)CN2CCOCC2","InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3","","2014-12-04","2015-05-08","N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine","2015-05-13"],["LKR","3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one","C15 H10 O7","Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O;c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O","InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H","Robinetin","2022-11-25","2023-10-20","3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one","2023-10-25"],["9X4","(5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide","C25 H25 N5 O3","c5c2c(c1nc(C(=O)N)c(n1C3CC2C3)C(NC)=O)cc(C#CC(c4oc(cn4)C)(C)C)c5;CNC(=O)c1n2C3CC(C3)c4ccc(cc4c2nc1C(N)=O)C#CC(C)(C)c5oc(C)cn5;Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N","InChI=1S/C25H25N5O3/c1-13-12-28-24(33-13)25(2,3)8-7-14-5-6-17-15-10-16(11-15)30-20(23(32)27-4)19(21(26)31)29-22(30)18(17)9-14/h5-6,9,12,15-16H,10-11H2,1-4H3,(H2,26,31)(H,27,32)/t15-,16+","","2017-06-21","2018-06-15","(5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide","2018-06-20"],["LKS","N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine","C14 H20 N2 O4 S","[N@H]=C(NC1SC(C(O)C(O)C1O)CO)Cc2ccccc2;OC[CH]1S[CH](NC(=N)Cc2ccccc2)[CH](O)[CH](O)[CH]1O;[H]N=C(Cc1ccccc1)NC2C(C(C(C(S2)CO)O)O)O","InChI=1S/C14H20N2O4S/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16)/t9-,11-,12+,13+,14+/m1/s1","N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE; 2-C-PHENYL-N-(5-THIO-A/B-D-MANNOPYRANOSYL)ACETAMIDINIUM;\nN-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannosylamine; N-[(1Z)-2-phenylethanimidoyl]-5-thio-D-mannosylamine;\nN-[(1Z)-2-phenylethanimidoyl]-5-thio-mannosylamine","2003-10-08","2020-07-17","N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine",""],["LKT","2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile","C23 H19 Cl N8","Clc1cccc(N2CC[CH](C2)[CH](CC#N)n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N;c1cc(c(c(c1)Cl)C#N)N2CCC(C2)C(CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4","InChI=1S/C23H19ClN8/c24-19-2-1-3-21(18(19)10-26)31-9-6-15(12-31)20(4-7-25)32-13-16(11-30-32)22-17-5-8-27-23(17)29-14-28-22/h1-3,5,8,11,13-15,20H,4,6,9,12H2,(H,27,28,29)/t15-,20-/m0/s1","","2019-08-21","2020-04-24","2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile","2020-04-29"],["9X5","5-methyl-7~{H}-benzo[d][2]benzazepine","C15 H13 N","CC1=NCc2ccccc2c3ccccc13;CC1=NCc2ccccc2-c3c1cccc3","InChI=1S/C15H13N/c1-11-13-7-4-5-9-15(13)14-8-3-2-6-12(14)10-16-11/h2-9H,10H2,1H3","","2017-07-21","2018-05-25","5-methyl-7~{H}-benzo[d][2]benzazepine","2018-05-30"],["LKU","3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide","C14 H12 F N O2","Cc1ccc(NC(=O)c2cccc(F)c2)cc1O;Cc1ccc(NC(=O)c2cccc(F)c2)cc1O;Cc1ccc(cc1O)NC(=O)c2cccc(c2)F","InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18)","","2022-03-04","2022-03-11","3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide","2022-03-16"],["9X6","thiodiglycolic acid","C4 H6 O4 S","O=C(O)CSCC(=O)O;OC(=O)CSCC(O)=O;C(C(=O)O)SCC(=O)O","InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)","2-(2-hydroxy-2-oxoethylsulfanyl)ethanoic acid","2013-07-29","2020-06-17","2,2'-sulfanediyldiacetic acid","2014-02-26"],["LKV","(2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid","C16 H20 N2 O4","CC(C)[CH](N1Cc2ccccc2C1=O)C(=O)N[CH](C)C(O)=O;CC(C)C(C(=O)NC(C)C(=O)O)N1Cc2ccccc2C1=O","InChI=1S/C16H20N2O4/c1-9(2)13(14(19)17-10(3)16(21)22)18-8-11-6-4-5-7-12(11)15(18)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,21,22)/t10-,13-/m0/s1","","2022-07-06","2023-04-21","(2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid","2023-04-26"],["9X7","ethyl 2-oxopropanoate","C5 H8 O3","CCOC(=O)C(C)=O;CCOC(=O)C(C)=O;CCOC(=O)C(=O)C","InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3","","2017-06-21","2018-11-09","ethyl 2-oxopropanoate","2018-11-14"],["9X8"," thioacetyl-ADP-ribose","C17 H25 N5 O14 P2 S","CC(=S)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CC(=S)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C17H25N5O14P2S/c1-6(39)33-13-11(24)8(35-17(13)26)3-32-38(29,30)36-37(27,28)31-2-7-10(23)12(25)16(34-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,23-26H,2-3H2,1H3,(H,27,28)(H,29,30)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1","","2017-07-22","2017-11-24","~{O}-[(2~{S},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanethioate","2017-11-29"],["LKW","6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C22 H17 N3 O4","CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4ccc(cc4)C(O)=O;CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O","InChI=1S/C22H17N3O4/c1-2-12-3-5-14(6-4-12)19-18-16(22(28)29)11-17(23-20(18)25-24-19)13-7-9-15(10-8-13)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)","","2019-08-22","2021-07-16","6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2021-07-21"],["LKX","2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide","C10 H9 Cl N4 O2","O=C1NN=CN1NC(=O)Cc1cccc(Cl)c1;Clc1cccc(CC(=O)NN2C=NNC2=O)c1;c1cc(cc(c1)Cl)CC(=O)NN2C=NNC2=O","InChI=1S/C10H9ClN4O2/c11-8-3-1-2-7(4-8)5-9(16)14-15-6-12-13-10(15)17/h1-4,6H,5H2,(H,13,17)(H,14,16)","","2023-08-15","2023-11-03","2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide","2023-11-08"],["9X9","3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide","C11 H13 N9 O2","COc1ncc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N;COc1ncc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N","InChI=1S/C11H13N9O2/c1-22-11-16-2-4(3-17-11)5-7(12)19-8(13)6(18-5)9(21)20-10(14)15/h2-3H,1H3,(H4,12,13,19)(H4,14,15,20,21)","","2018-08-22","2019-09-13","3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide","2019-09-18"],["LKY","3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide","C27 H31 F N4 O2","c1(c(cc(cc1CN2CC(C)N(CC2)C(C3CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C;C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc(NC(=O)c4cccc(c4)C#N)c3C;Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN(C(C3)C)C(=O)C4CCCC4","InChI=1S/C27H31FN4O2/c1-18-16-31(10-11-32(18)27(34)21-7-3-4-8-21)17-23-13-24(28)14-25(19(23)2)30-26(33)22-9-5-6-20(12-22)15-29/h5-6,9,12-14,18,21H,3-4,7-8,10-11,16-17H2,1-2H3,(H,30,33)/t18-/m0/s1","","2019-02-28","2020-02-28","3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide","2020-03-04"],["9XA","4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine","C23 H31 Cl N6 O3 S","c14n(cc(c(c1)OCCN2CCN(CC2)C)S(C(C)(C)C)(=O)=O)c(c3cc(N)nc(c3)Cl)cn4;CN1CCN(CCOc2cc3ncc(n3cc2[S](=O)(=O)C(C)(C)C)c4cc(N)nc(Cl)c4)CC1;CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N","InChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27)","","2017-06-21","2017-10-20","4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine","2017-10-25"],["LKZ","3,5,7,9,11-pentakis(oxidanylidene)dodecanal","C12 H14 O6","CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O;CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O","InChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3","","2019-08-22","2020-05-22","3,5,7,9,11-pentakis(oxidanylidene)dodecanal","2020-05-27"],["9XB","Pamamycin 607","C35 H61 N O7","CCC[CH]1C[CH]2CC[CH](O2)[CH](C)C(=O)O[CH]([CH](C)[CH]3CC[CH](C[CH](CCC)N(C)C)O3)[CH](C)[CH]4CC[CH](O4)[CH](C)C(=O)O1;CCCC1CC2CCC(O2)C(C(=O)OC(C(C3CCC(O3)C(C(=O)O1)C)C)C(C)C4CCC(O4)CC(CCC)N(C)C)C","InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1","","2017-07-24","2018-04-06","(1~{R},2~{S},5~{S},6~{R},7~{S},10~{R},11~{R},14~{S},16~{S})-5-[(1~{R})-1-[(2~{R},5~{S})-5-[(2~{R})-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione","2018-04-11"],["LL0","2-(difluoromethoxy)benzene-1-sulfonamide","C7 H7 F2 N O3 S","O=S(N)(=O)c1ccccc1OC(F)F;N[S](=O)(=O)c1ccccc1OC(F)F;c1ccc(c(c1)OC(F)F)S(=O)(=O)N","InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)","","2022-03-04","2022-03-11","2-(difluoromethoxy)benzene-1-sulfonamide","2022-03-16"],["9XC","3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide","C12 H15 N9 O3","COc1ncc(c(OC)n1)c2nc(c(N)nc2N)C(=O)NC(N)=N;COc1c(cnc(n1)OC)c2c(nc(c(n2)C(=O)NC(=N)N)N)N","InChI=1S/C12H15N9O3/c1-23-10-4(3-17-12(21-10)24-2)5-7(13)19-8(14)6(18-5)9(22)20-11(15)16/h3H,1-2H3,(H4,13,14,19)(H4,15,16,20,22)","","2018-08-22","2019-09-13","3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide","2019-09-18"],["LL1","3-pyridin-4-yl-1H-indazole","C12 H9 N3","n2c(c1ccccc1n2)c3ccncc3;[nH]1nc(c2ccncc2)c3ccccc13;c1ccc2c(c1)c(n[nH]2)c3ccncc3","InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)","","2008-07-04","2011-06-04","3-pyridin-4-yl-1H-indazole",""],["9XE","7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one","C23 H17 F3 N2 O3","COc1ccc2c(NC(=C(C)C2=O)c3cncc(c3)c4ccc(OC(F)(F)F)cc4)c1;CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F","InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29)","","2017-07-25","2018-02-23","7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one","2018-02-28"],["9XF","3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide","C14 H13 N7 O2","NC(=N)NC(=O)c1nc(c(N)nc1N)c2oc3ccccc3c2;c1ccc2c(c1)cc(o2)c3c(nc(c(n3)C(=O)NC(=N)N)N)N","InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)","","2018-08-22","2019-09-13","3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide","2019-09-18"],["LL2","5-benzyl-1,3-thiazol-2-amine","C10 H10 N2 S","n1cc(sc1N)Cc2ccccc2;Nc1sc(Cc2ccccc2)cn1;c1ccc(cc1)Cc2cnc(s2)N","InChI=1S/C10H10N2S/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)","5-Benzyl-thiazol-2-ylmaine","2008-07-03","2020-06-17","5-benzyl-1,3-thiazol-2-amine",""],["LL3","2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone","C19 H19 N3 O2 S","O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4ccccc4;O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4;c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4","InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2","","2010-12-21","2012-01-06","2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone",""],["9XG","3-methyl-N-phenylaniline","C13 H13 N","Cc1cccc(c1)Nc2ccccc2;Cc1cccc(Nc2ccccc2)c1;Cc1cccc(c1)Nc2ccccc2","InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3","","2017-06-22","2017-07-07","3-methyl-N-phenylaniline","2017-07-12"],["LL4","4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one","C17 H23 N3 O2 S","O=C(N3CCC(c1onc(n1)c2sccc2)CC3)CCC(C)C;CC(C)CCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3;CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3","InChI=1S/C17H23N3O2S/c1-12(2)5-6-15(21)20-9-7-13(8-10-20)17-18-16(19-22-17)14-4-3-11-23-14/h3-4,11-13H,5-10H2,1-2H3","","2010-12-21","2012-01-06","4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one",""],["9XH","(2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione","C29 H30 F2 N4 O2","N[CH](CC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5ccccc5C4;c1ccc2c(c1)CN(C2)C(=O)C(CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N","InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2/t26-/m0/s1","","2017-07-26","2018-02-02","(2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione","2018-02-07"],["LL5","(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one","C16 H22 N4 O2 S","O=C(N3CCC(c1onc(n1)c2sccc2)CC3)C(N)C(C)C;CC(C)[CH](N)C(=O)N1CC[CH](CC1)c2onc(n2)c3sccc3;CC(C)C(C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N","InChI=1S/C16H22N4O2S/c1-10(2)13(17)16(21)20-7-5-11(6-8-20)15-18-14(19-22-15)12-4-3-9-23-12/h3-4,9-11,13H,5-8,17H2,1-2H3/t13-/m0/s1","","2010-12-21","2011-12-16","(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",""],["9XI","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione","C23 H20 N2 O5","CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4;Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C23H20N2O5/c1-13-15(21(28)20-17(26)9-6-10-18(20)27)11-12-16-19(13)22(29)25(23(30)24(16)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3","","2022-03-14","2022-05-27","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione","2022-06-01"],["9XJ","3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H19 Cl N6 O","C1C(CCNC1)Cn2nc(c3c2ncnc3N)Oc4cccc(c4)Cl;Nc1ncnc2n(CC3CCNCC3)nc(Oc4cccc(Cl)c4)c12;c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N","InChI=1S/C17H19ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)","","2017-06-22","2017-07-14","3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-07-19"],["LL6","(2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid","C20 H20 N2 O4","C[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccccc1)N2Cc3ccccc3C2=O","InChI=1S/C20H20N2O4/c1-13(20(25)26)21-18(23)17(11-14-7-3-2-4-8-14)22-12-15-9-5-6-10-16(15)19(22)24/h2-10,13,17H,11-12H2,1H3,(H,21,23)(H,25,26)/t13-,17-/m0/s1","","2022-07-06","2023-04-21","(2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid","2023-04-26"],["9XK","~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide","C22 H18 N4 O2 S3","Cc1ccc2nc(NC(=O)CSC3=NC4=C(SCC4)C(=O)N3c5ccccc5)sc2c1;Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4","InChI=1S/C22H18N4O2S3/c1-13-7-8-15-17(11-13)31-21(23-15)25-18(27)12-30-22-24-16-9-10-29-19(16)20(28)26(22)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25,27)","","2017-07-26","2018-04-20","~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide","2018-04-25"],["LL7","(2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide","C25 H33 N3 O7 S","COc1cc(NC(=O)CCNC(=O)[CH]2CCCCN2[S](=O)(=O)Cc3ccccc3)cc(OC)c1OC;COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)C2CCCCN2S(=O)(=O)Cc3ccccc3","InChI=1S/C25H33N3O7S/c1-33-21-15-19(16-22(34-2)24(21)35-3)27-23(29)12-13-26-25(30)20-11-7-8-14-28(20)36(31,32)17-18-9-5-4-6-10-18/h4-6,9-10,15-16,20H,7-8,11-14,17H2,1-3H3,(H,26,30)(H,27,29)/t20-/m0/s1","","2019-03-01","2020-02-07","(2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide","2020-02-12"],["9XL","(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid","C26 H29 Cl N6 O5","NC(=O)c1cccc(c1)C#CCN(CCC(N)C(=O)O)CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl;N[CH](CCN(CC#Cc1cccc(c1)C(N)=O)C[CH]2C[CH]([CH](O)[CH]2O)n3ccc4c(Cl)ncnc34)C(O)=O;c1cc(cc(c1)C(=O)N)C#CCN(CCC(C(=O)O)N)CC2CC(C(C2O)O)n3ccc4c3ncnc4Cl","InChI=1S/C26H29ClN6O5/c27-23-18-6-10-33(25(18)31-14-30-23)20-12-17(21(34)22(20)35)13-32(9-7-19(28)26(37)38)8-2-4-15-3-1-5-16(11-15)24(29)36/h1,3,5-6,10-11,14,17,19-22,34-35H,7-9,12-13,28H2,(H2,29,36)(H,37,38)/t17-,19+,20-,21-,22+/m1/s1","","2021-11-01","2022-10-28","(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid","2022-11-02"],["LL8","1-(6-methoxynaphthalen-2-yl)butane-1,3-dione","C15 H14 O3","O=C(C)CC(=O)c1ccc2c(c1)ccc(OC)c2;COc1ccc2cc(ccc2c1)C(=O)CC(C)=O;CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC","InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3","","2011-11-16","2023-09-25","1-(6-methoxynaphthalen-2-yl)butane-1,3-dione",""],["LL9","2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid","C10 H14 Cl N O4 S","Clc1cc(ccc1OC)CNCCS(=O)(=O)O;COc1ccc(CNCC[S](O)(=O)=O)cc1Cl;COc1ccc(cc1Cl)CNCCS(=O)(=O)O","InChI=1S/C10H14ClNO4S/c1-16-10-3-2-8(6-9(10)11)7-12-4-5-17(13,14)15/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15)","","2012-07-02","2012-10-26","2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid","2012-10-26"],["9XM","[(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate","C36 H38 Br Cl N10 O8 S","Clc1cc2C(=O)N(CC(=O)C[CH]3NCCC[CH]3OC(=O)N[S](=O)(=O)N4CCN(CC4)C(=O)Nc5nccnc5C(=O)NC6Cc7ccccc7C6)C=Nc2cc1Br;c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)OC5CCCNC5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br","InChI=1S/C36H38BrClN10O8S/c37-26-18-28-25(17-27(26)38)34(51)47(20-42-28)19-24(49)16-29-30(6-3-7-39-29)56-36(53)45-57(54,55)48-12-10-46(11-13-48)35(52)44-32-31(40-8-9-41-32)33(50)43-23-14-21-4-1-2-5-22(21)15-23/h1-2,4-5,8-9,17-18,20,23,29-30,39H,3,6-7,10-16,19H2,(H,43,50)(H,45,53)(H,41,44,52)/t29-,30+/m1/s1","","2021-11-22","2022-08-22","[(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate","2021-12-08"],["LLA","L-2-HYDROXY-3-PHENYL-PROPIONIC ACID","C9 H10 O3","O=C(O)C(O)Cc1ccccc1;O[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)O","InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H","","1999-07-27","2008-10-14","(2S)-2-hydroxy-3-phenylpropanoic acid",""],["9XN","Phosphoramidothioic O,O-acid","H4 N O2 P S","N[P](O)(O)=S;NP(=S)(O)O","InChI=1S/H4NO2PS/c1-4(2,3)5/h(H4,1,2,3,5)","","2017-07-27","2018-03-02","","2018-03-07"],["LLB","[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone","C29 H29 N O4 S","O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCC(C)CC4)cc5;CC1CCN(CCOc2ccc(cc2)C(=O)c3c(sc4cc(O)ccc34)c5ccc(O)cc5)CC1;CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O","InChI=1S/C29H29NO4S/c1-19-12-14-30(15-13-19)16-17-34-24-9-4-20(5-10-24)28(33)27-25-11-8-23(32)18-26(25)35-29(27)21-2-6-22(31)7-3-21/h2-11,18-19,31-32H,12-17H2,1H3","","2007-09-17","2011-06-04","[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone",""],["9XO","(1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine","C28 H31 F N10","CN(C)[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6;CC(c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N(C)C","InChI=1S/C28H31FN10/c1-28(35(2)3,22-5-7-24(29)8-6-22)23-15-30-27(31-16-23)38-11-9-37(10-12-38)26-25-13-20(18-39(25)34-19-32-26)21-14-33-36(4)17-21/h5-8,13-19H,9-12H2,1-4H3/t28-/m0/s1","","2023-07-17","2023-12-22","(1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine","2023-12-27"],["LLC","[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone","C27 H25 N O4 S","O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCC4)cc5;Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCC5)cc4;c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O","InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2","","2007-09-17","2011-06-04","[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone",""],["9XP","1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine","C15 H17 Cl N6","C(n2nc(c1c2ncnc1N)Nc3cccc(Cl)c3)(C)(C)C;CC(C)(C)n1nc(Nc2cccc(Cl)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl","InChI=1S/C15H17ClN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)","","2017-06-23","2017-08-25","1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine","2017-08-30"],["LLD","2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate","C21 H25 N3 O5 S","O=C(NCCOC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccccc2)c3cccnc3;c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCNC(=O)c3cccnc3","InChI=1S/C21H25N3O5S/c25-20(18-9-6-11-22-15-18)23-12-14-29-21(26)19-10-4-5-13-24(19)30(27,28)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2,(H,23,25)/t19-/m0/s1","","2019-03-01","2020-02-07","2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate","2020-02-12"],["9XQ","[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium","C8 H10 N3 O2","NC(=[NH2+])Nc1cccc(c1)C(O)=O;c1cc(cc(c1)NC(=[NH2+])N)C(=O)O","InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1","","2017-07-27","2024-09-27","[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium","2018-06-06"],["LLE","(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide","C23 H39 N2 O13 P S","CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O;CC(=O)CC(=CC(=CC(=CC(=O)CC(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)(O)O)O)O)O)O","InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1","","2019-08-22","2024-09-27","(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide","2020-05-27"],["9XR","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C22 H29 N7 O14 P2","NC(=O)c1cc(ccc1)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;NC(=O)c1cccc(N[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)c1;c1cc(cc(c1)NC2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N","InChI=1S/C22H29N7O14P2/c23-18-13-20(26-7-25-18)29(8-27-13)22-17(33)15(31)12(42-22)6-40-45(37,38)43-44(35,36)39-5-11-14(30)16(32)21(41-11)28-10-3-1-2-9(4-10)19(24)34/h1-4,7-8,11-12,14-17,21-22,28,30-33H,5-6H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,21+,22-/m1/s1","","2021-11-01","2022-04-08","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2022-04-13"],["LLF","(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C10 H13 F2 N2 O5 P","FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=NCC(F)F)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O","InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+","(E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE","2006-04-05","2024-09-27","(4-{(E)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["9XS","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C22 H27 N3 O8 S","C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(O)=O;CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,18,23,26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-,18+/m1/s1","","2021-11-22","2022-08-22","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2021-12-01"],["LLG","2-aminoethyl naphthalen-1-ylacetate","C14 H15 N O2","O=C(OCCN)Cc2cccc1ccccc12;NCCOC(=O)Cc1cccc2ccccc12;c1ccc2c(c1)cccc2CC(=O)OCCN","InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2","","2007-11-26","2011-06-04","2-aminoethyl naphthalen-1-ylacetate",""],["9XT","3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine","C16 H15 N7 O","Cc1cc(Cn2nnc3c2nc(N)nc3c4occc4)ccc1N;Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2","InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)","","2017-07-28","2018-01-12","3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine","2018-01-17"],["LLH","(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID","C5 H9 N O7","O=C(O)C(O)C(O)C(O)C(=O)NO;ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(=O)NO)O)(C(C(=O)O)O)O","InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m0/s1","","2007-05-01","2011-06-04","(2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name)",""],["9XU","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione","C24 H22 N2 O5","CN1C(=O)N(Cc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C24H22N2O5/c1-14-16(22(29)21-18(27)9-6-10-19(21)28)11-12-17-20(14)23(30)26(24(31)25(17)2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,27H,6,9-10,13H2,1-2H3","","2022-03-14","2022-05-27","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione","2022-06-01"],["9XV","1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C16 H18 Cl N5","c1(ncnc2c1c(nn2C(C)(C)C)Cc3cc(Cl)ccc3)N;CC(C)(C)n1nc(Cc2cccc(Cl)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N","InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)","","2017-06-23","2017-07-14","1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-07-19"],["LLI","(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","C27 H36 N4 O4","COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35;COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)C4C3CC=CC4)C5CCCCCC5","InChI=1S/C27H36N4O4/c1-34-23-13-12-19(18-24(23)35-17-16-30-15-14-28-27(30)33)25-21-10-6-7-11-22(21)26(32)31(29-25)20-8-4-2-3-5-9-20/h6-7,12-13,18,20-22H,2-5,8-11,14-17H2,1H3,(H,28,33)/t21-,22+/m0/s1","","2016-10-21","2017-10-27","(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2017-11-01"],["LLJ","6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene","C32 H44 N4 O2","O4CC[NH2+]Cc2cc1cc(ccc1cc2)C[NH2+]CCOCC[NH2+]Cc5ccc3c(cc(cc3)C[NH2+]CC4)c5;C1COCC[NH2+]Cc2ccc3ccc(C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(C[NH2+]1)cc5c4)cc3c2;c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2","InChI=1S/C32H40N4O2/c1-5-29-6-2-26-18-31(29)17-25(1)21-33-9-13-37-14-10-35-23-27-3-7-30-8-4-28(20-32(30)19-27)24-36-12-16-38-15-11-34-22-26/h1-8,17-20,33-36H,9-16,21-24H2/p+4","2,8,19,25-tetraaza-5,22-dioxa-[9,9](2,7)naphthalenophane","2012-02-17","2021-03-13","6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene (non-preferred name)","2013-02-15"],["9XW","~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide","C19 H26 N4 O4 S","COc1ccc(N2CCOCC2)c3sc(NC(=O)N4CCC(C)(O)CC4)nc13;CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O","InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)","","2017-07-28","2018-01-12","~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide","2018-01-17"],["LLK","(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one","C15 H14 O2","O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C;COc1ccc2cc(ccc2c1)C(=O)C=CC;CC=CC(=O)c1ccc2cc(ccc2c1)OC","InChI=1S/C15H14O2/c1-3-4-15(16)13-6-5-12-10-14(17-2)8-7-11(12)9-13/h3-10H,1-2H3/b4-3+","","2013-11-04","2024-09-27","(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one","2014-11-12"],["9XX","(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate","C38 H74 O4","C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C;CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCC[CH](C)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC(C)CCCCCCCC","InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1","(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate","2018-08-29","2024-09-27","(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate","2018-11-14"],["LLL","(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR\nOXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL","C19 H39 N5 O7","O(C2C(O)C(OC1OC(CN)CCC1N)C(N)CC2N)C3OCC(O)(C(NC)C3O)C;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3N)[CH]2O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O","InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1","GENTAMICIN C1A","2005-11-02","2020-06-17","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside",""],["9XY","Endoxifen","C25 H27 N O2","CNCCOc1ccc(cc1)C(=C(CC)c2ccccc2)c3ccc(cc3)O;CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCNC)cc3;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCNC)c3ccccc3","InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-","4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol","2017-06-26","2020-06-17","4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol","2017-10-11"],["LLM","Laulimalide","C30 H42 O7","O=C3OC(C(O)/C=C/C1OCC=C(C)C1)CC4OC4C(O)CC(=C)CC(C)CC2OC(C=CC2)CC=C3;C[CH]1C[CH]2CC=C[CH](CC=CC(=O)O[CH](C[CH]3O[CH]3[CH](O)CC(=C)C1)[CH](O)C=C[CH]4CC(=CCO4)C)O2;CC1CC2CC=CC(O2)CC=CC(=O)OC(CC3C(O3)C(CC(=C)C1)O)C(C=CC4CC(=CCO4)C)O","InChI=1S/C30H42O7/c1-19-12-13-34-23(15-19)10-11-25(31)27-18-28-30(37-28)26(32)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(33)36-27/h4-6,9-12,20,22-28,30-32H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20-,22-,23+,24-,25-,26-,27-,28-,30-/m0/s1","(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl\n}-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one","2014-01-27","2020-06-17","(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl}-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one","2014-03-05"],["9XZ","3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine","C11 H10 N6 S","Cn1nnc(n1)c2cc(cnc2N)c3cscc3;Cn1nc(nn1)c2cc(cnc2N)c3ccsc3","InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13)","","2015-03-08","2015-05-08","3-(2-methyl-1,2,3,4-tetrazol-5-yl)-5-thiophen-3-yl-pyridin-2-amine","2015-05-13"],["9Y0","(2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate","C39 H76 N O8 P","NCCOP(=O)(O)OCC(COC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(CCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN","InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1","","2018-08-29","2018-11-09","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate","2018-11-14"],["LLN","(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","C28 H38 N4 O5","OCCOc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35;c1cc(c(cc1C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO","InChI=1S/C28H38N4O5/c33-16-18-37-24-12-11-20(19-25(24)36-17-15-31-14-13-29-28(31)35)26-22-9-5-6-10-23(22)27(34)32(30-26)21-7-3-1-2-4-8-21/h5-6,11-12,19,21-23,33H,1-4,7-10,13-18H2,(H,29,35)/t22-,23+/m0/s1","","2016-10-21","2017-10-27","(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2017-11-01"],["9Y1","2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid","C14 H7 F4 N3 O2 S","c3(F)ccc(c2nn(c1nc(cs1)C(O)=O)c(C(F)(F)F)c2)cc3;OC(=O)c1csc(n1)n2nc(cc2C(F)(F)F)c3ccc(F)cc3;c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F","InChI=1S/C14H7F4N3O2S/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21(20-9)13-19-10(6-24-13)12(22)23/h1-6H,(H,22,23)","","2017-06-26","2018-01-12","2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid","2018-01-17"],["LLO","N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine","C12 H26 N2 O3","O=C(O)C(N)CCCCNC(CC(O)(C)C)C;C[CH](CC(C)(C)O)NCCCC[CH](N)C(O)=O;CC(CC(C)(C)O)NCCCCC(C(=O)O)N","InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1","4-Hydroxy-4-Methyl-2-Pentanone","2010-07-20","2024-09-27","N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine",""],["9Y2","4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide","C16 H17 F2 N3 O2 S","CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc2sccn2;CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F","InChI=1S/C16H17F2N3O2S/c1-16(2,3)8-12(22)20-13-10(17)6-9(7-11(13)18)14(23)21-15-19-4-5-24-15/h4-7H,8H2,1-3H3,(H,20,22)(H,19,21,23)","","2017-07-28","2018-01-12","4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide","2018-01-17"],["LLP","(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid","C14 H22 N3 O7 P","n1c(C)c(O)c(C=NCCCCC(N)C(=O)O)c(c1)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N)O","InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1","N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE","1999-07-08","2024-09-27","(E)-N~6~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine",""],["9Y3","(2Z)-3-phenylprop-2-enal","C9 H8 O","c1cccc(c1)[C@H]=CC=O;O=CC=Cc1ccccc1;c1ccc(cc1)C=CC=O","InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-","Cis-Cinnamaldehyde","2018-08-29","2020-06-17","(2Z)-3-phenylprop-2-enal","2019-08-14"],["LLQ","(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid","C3 H8 O5 S","OC[CH](O)C[S](O)(=O)=O;C(C(CS(=O)(=O)O)O)O","InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m0/s1","","2019-08-23","2020-06-19","(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid","2020-06-24"],["LLR","(~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol","C12 H21 Br N4 S","CCN(CC)c1ccc(CNN[CH](N)S)cc1Br;CCN(CC)c1ccc(cc1Br)CNNC(N)S","InChI=1S/C12H21BrN4S/c1-3-17(4-2)11-6-5-9(7-10(11)13)8-15-16-12(14)18/h5-7,12,15-16,18H,3-4,8,14H2,1-2H3/t12-/m0/s1","","2022-11-25","2023-09-29","(~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol","2023-10-04"],["9Y4","N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide","C16 H18 N2 O","Cc1ccc(cc1)CNC(=O)CNc1ccccc1;Cc1ccc(CNC(=O)CNc2ccccc2)cc1;Cc1ccc(cc1)CNC(=O)CNc2ccccc2","InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19)","","2021-11-01","2022-11-11","N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide","2022-11-16"],["LLS","(3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one","C19 H12 Cl2 N4 O3","Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4;Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)C4c5ccccc5C(=O)O4","InChI=1S/C19H12Cl2N4O3/c1-8-13(16-9-4-2-3-5-10(9)18(27)28-16)17(26)25(24-8)19-22-12-7-6-11(20)14(21)15(12)23-19/h2-7,16,26H,1H3,(H,22,23)/t16-/m0/s1","","2019-03-01","2019-05-24","(3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one","2019-05-29"],["9Y5","1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide","C16 H12 Cl N3 O2 S","Cc1nn(c2cccc(Cl)c2)c3c1N[S](=O)(=O)c4ccccc34;Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2","InChI=1S/C16H12ClN3O2S/c1-10-15-16(20(18-10)12-6-4-5-11(17)9-12)13-7-2-3-8-14(13)23(21,22)19-15/h2-9,19H,1H3","","2017-07-31","2019-03-08","1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide","2019-03-13"],["LLT","L-deoxythymidine","C10 H14 N2 O5","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO;CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1","L-thymidine; beta-L-thymidine; L-dT; 2'-deoxy-L-thymidine; 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione","2009-06-04","2020-05-27","1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["9Y6","(2E)-3-phenylprop-2-enal","C9 H8 O","c1cccc(c1)C=[C@H]C=O;O=CC=Cc1ccccc1;c1ccc(cc1)C=CC=O","InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+","Trans-Cinnamaldehyde","2018-08-29","2025-02-03","(2E)-3-phenylprop-2-enal","2019-08-14"],["LLU","(2S)-2-(2-fluorophenoxy)propanoic acid","C9 H9 F O3","CC(Oc1ccccc1F)C(=O)O;C[CH](Oc1ccccc1F)C(O)=O;CC(C(=O)O)Oc1ccccc1F","InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1","","2022-03-04","2022-03-11","(2S)-2-(2-fluorophenoxy)propanoic acid","2022-03-16"],["9Y7","2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","C20 H14 F2 N4 O5 S2","c2(Cc1ccc(S(N)(=O)=O)cc1)c(O)n(nc2c3cc(c(cc3)F)F)c4scc(n4)C(=O)O;N[S](=O)(=O)c1ccc(Cc2c(O)n(nc2c3ccc(F)c(F)c3)c4scc(n4)C(O)=O)cc1;c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N","InChI=1S/C20H14F2N4O5S2/c21-14-6-3-11(8-15(14)22)17-13(7-10-1-4-12(5-2-10)33(23,30)31)18(27)26(25-17)20-24-16(9-32-20)19(28)29/h1-6,8-9,27H,7H2,(H,28,29)(H2,23,30,31)","","2017-06-26","2018-01-12","2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","2018-01-17"],["9Y8","3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide","C16 H12 F N3 O2 S","CN1c2c([nH]nc2c3ccc(F)cc3)c4ccccc4[S]1(=O)=O;CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O","InChI=1S/C16H12FN3O2S/c1-20-16-14(10-6-8-11(17)9-7-10)18-19-15(16)12-4-2-3-5-13(12)23(20,21)22/h2-9H,1H3,(H,18,19)","","2017-07-31","2019-03-08","3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide","2019-03-13"],["LLV","(2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid","C28 H24 Br F N2 O5","C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)ccc4C3=O)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3Cc4cc(ccc4C3=O)Br","InChI=1S/C28H24BrFN2O5/c1-15(28(36)37)31-26(34)25(32-14-20-12-21(29)8-9-22(20)27(32)35)11-17-3-5-18(6-4-17)23-13-19(16(2)33)7-10-24(23)30/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,34)(H,36,37)/t15-,25-/m0/s1","","2022-07-07","2023-04-21","(2~{S})-2-[[(2~{S})-2-(6-bromanyl-3-oxidanylidene-1~{H}-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid","2023-04-26"],["9Y9","tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate","C25 H33 F N2 O5 S","O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CN3CC(Cc2c(ccc(F)c2)S3(=O)=O)C;C[CH]1CN(C[CH](O)[CH](Cc2ccccc2)NC(=O)OC(C)(C)C)[S](=O)(=O)c3ccc(F)cc3C1;CC1Cc2cc(ccc2S(=O)(=O)N(C1)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O)F","InChI=1S/C25H33FN2O5S/c1-17-12-19-14-20(26)10-11-23(19)34(31,32)28(15-17)16-22(29)21(13-18-8-6-5-7-9-18)27-24(30)33-25(2,3)4/h5-11,14,17,21-22,29H,12-13,15-16H2,1-4H3,(H,27,30)/t17-,21-,22+/m0/s1","","2011-08-24","2011-09-23","tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate",""],["LLX","N-(4-aminobiphenyl-3-yl)benzamide","C19 H16 N2 O","O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3;Nc1ccc(cc1NC(=O)c2ccccc2)c3ccccc3;c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N","InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)","","2010-04-06","2011-06-04","N-(4-aminobiphenyl-3-yl)benzamide",""],["LLY","NZ-(DICARBOXYMETHYL)LYSINE","C9 H16 N2 O6","O=C(O)C(C(=O)O)NCCCCC(N)C(=O)O;N[CH](CCCCNC(C(O)=O)C(O)=O)C(O)=O;C(CCNC(C(=O)O)C(=O)O)CC(C(=O)O)N","InChI=1S/C9H16N2O6/c10-5(7(12)13)3-1-2-4-11-6(8(14)15)9(16)17/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1","","1999-07-08","2024-09-27","{[(5S)-5-amino-5-carboxypentyl]amino}propanedioic acid",""],["9YA","2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","C30 H26 N4 O4 S2","c1(cccc(c1)c5c(Cc2ccc(S(N)(=O)=O)cc2)c(CC3CC3)n(c4nc(cs4)C(O)=O)n5)c6ccccc6;N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c4cccc(c4)c5ccccc5)c6scc(n6)C(O)=O)cc1;c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N","InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)","","2017-06-26","2018-01-12","2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","2018-01-17"],["9YB","(3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid","C30 H32 N4 O5","COc1ccc(CN2CCc3n(CCO)nc(C(=O)N[CH](CC(O)=O)c4ccccc4)c3C2)c5ccccc15;COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NC(CC(=O)O)c5ccccc5)C3","InChI=1S/C30H32N4O5/c1-39-27-12-11-21(22-9-5-6-10-23(22)27)18-33-14-13-26-24(19-33)29(32-34(26)15-16-35)30(38)31-25(17-28(36)37)20-7-3-2-4-8-20/h2-12,25,35H,13-19H2,1H3,(H,31,38)(H,36,37)/t25-/m1/s1","","2017-08-01","2019-03-01","(3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid","2019-03-06"],["LLZ","N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine","C21 H28 N2 O4","O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1)ccc(OC)c2;COc1ccc2cc(ccc2c1)C(=O)C[CH](C)NCCCC[CH](N)C(O)=O;CC(CC(=O)c1ccc2cc(ccc2c1)OC)NCCCCC(C(=O)O)N","InChI=1S/C21H28N2O4/c1-14(23-10-4-3-5-19(22)21(25)26)11-20(24)17-7-6-16-13-18(27-2)9-8-15(16)12-17/h6-9,12-14,19,23H,3-5,10-11,22H2,1-2H3,(H,25,26)/t14-,19-/m0/s1","","2010-06-23","2011-06-24","N~6~-[(2S)-4-(6-methoxynaphthalen-2-yl)-4-oxobutan-2-yl]-L-lysine",""],["LM0","(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide","C14 H17 N3 O3","CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O;CC(=O)NNC(=O)[CH]1Cc2ccccc2CN1C(C)=O;CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C","InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1","","2023-08-15","2024-09-27","(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide","2023-11-08"],["9YC","(2~{E})-3-cyano-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid","C12 H14 N3 O7 P","Cc1ncc(CO[P](O)(O)=O)c(CN=C(CC#N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CC#N)C(=O)O)O","InChI=1S/C12H14N3O7P/c1-7-11(16)9(5-15-10(2-3-13)12(17)18)8(4-14-7)6-22-23(19,20)21/h4,16H,2,5-6H2,1H3,(H,17,18)(H2,19,20,21)/b15-10+","","2022-04-19","2023-03-31","(2~{E})-3-cyano-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid","2023-04-05"],["LM2","4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE","C19 H34 N2 O15","O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)C(O)C3O)CO;CO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](CO)NC(=NO)[CH](O)[CH]3O;COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC3C(NC(=NO)C(C3O)O)CO)CO)CO","InChI=1S/C19H34N2O15/c1-32-15-6(3-23)33-19(12(29)9(15)26)36-16-7(4-24)34-18(13(30)10(16)27)35-14-5(2-22)20-17(21-31)11(28)8(14)25/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19-/m1/s1","4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM","2004-08-05","2021-03-13","(2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-(4-O-methyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranoside",""],["9YD","2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid","C13 H7 F2 N3 O3 S","c1(F)c(F)cc(cc1)c3cc(n(c2scc(n2)C(O)=O)n3)O;OC(=O)c1csc(n1)n2nc(cc2O)c3ccc(F)c(F)c3;c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F","InChI=1S/C13H7F2N3O3S/c14-7-2-1-6(3-8(7)15)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)","","2017-06-26","2018-01-12","2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid","2018-01-17"],["LM3","N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine","C21 H18 N4","n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc4;CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34;CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4","InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3","","2012-06-01","2013-05-31","N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine","2013-06-05"],["9YE","4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione","C23 H25 N O3","CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C(C)C)c4c13;CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2","InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)22-21(23(15)26)20-16(24(22)14(3)4)8-6-9-17(20)25/h5,7,10-11,14H,6,8-9,12H2,1-4H3","","2017-08-02","2017-12-22","4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione","2017-12-27"],["9YF","(2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate","C44 H85 O13 P","P(O)(OC1C(C(C(C(O)C1O)O)O)O)(OCC(COC(CCCCCCCC(C)CCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC[CH](C)CCCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(C)CCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C44H85O13P/c1-4-6-8-10-12-13-14-15-16-17-19-23-28-32-38(46)56-36(34-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51)33-54-37(45)31-27-24-20-22-26-30-35(3)29-25-21-18-11-9-7-5-2/h35-36,39-44,47-51H,4-34H2,1-3H3,(H,52,53)/t35-,36+,39-,40+,41+,42+,43-,44-/m0/s1","","2018-08-30","2018-11-09","(2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate","2018-11-14"],["LM4","N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine","C21 H18 N4","n4ccc(c3cc(nnc3c1ccc2c(c1)cccc2)N(C)C)cc4;CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3;CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4","InChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3","","2012-05-31","2013-05-31","N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine","2013-06-05"],["9YG","1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C18 H20 N6","c1(ncnc2c1c(nn2C(C)(C)C)Cc4c3c(cccc3)nc4)N;CC(C)(C)n1nc(Cc2c[nH]c3ccccc23)c4c(N)ncnc14;CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N","InChI=1S/C18H20N6/c1-18(2,3)24-17-15(16(19)21-10-22-17)14(23-24)8-11-9-20-13-7-5-4-6-12(11)13/h4-7,9-10,20H,8H2,1-3H3,(H2,19,21,22)","","2017-06-26","2017-07-28","1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-08-02"],["LM5","(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide","C13 H18 N2 O3","O=C(NCc1ccccc1)C2NC(C)C(O)C2O;C[CH]1N[CH]([CH](O)[CH]1O)C(=O)NCc2ccccc2;CC1C(C(C(N1)C(=O)NCc2ccccc2)O)O","InChI=1S/C13H18N2O3/c1-8-11(16)12(17)10(15-8)13(18)14-7-9-5-3-2-4-6-9/h2-6,8,10-12,15-17H,7H2,1H3,(H,14,18)/t8-,10+,11+,12-/m0/s1","","2013-03-22","2014-01-17","(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide","2014-01-22"],["LM6","1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine","C7 H13 N3","CCn1nccc1CNC;CCn1nccc1CNC;CCn1c(ccn1)CNC","InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3","","2022-03-04","2022-03-11","1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine","2022-03-16"],["9YH","2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid","C22 H28 N2 O6 S","COc1cccc(CN(CCN(CC(O)=O)Cc2ccccc2SC)CC(O)=O)c1O;COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O","InChI=1S/C22H28N2O6S/c1-30-18-8-5-7-17(22(18)29)13-24(15-21(27)28)11-10-23(14-20(25)26)12-16-6-3-4-9-19(16)31-2/h3-9,29H,10-15H2,1-2H3,(H,25,26)(H,27,28)","","2017-08-02","2017-12-08","2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid","2017-12-13"],["LM7","1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione","C14 H9 N3 O5","O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O;Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23;c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O","InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20)","","2019-03-04","2019-06-21","1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione","2019-06-26"],["9YI","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione","C25 H24 N2 O5","CN1C(=O)N(CCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C25H24N2O5/c1-15-17(23(30)22-19(28)9-6-10-20(22)29)11-12-18-21(15)24(31)27(25(32)26(18)2)14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,28H,6,9-10,13-14H2,1-2H3","","2022-03-14","2022-05-27","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione","2022-06-01"],["LM8","(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid","C21 H34 O2","O=C(O)CCCC=C/CC=C/CC=C/C(C=C/CCCCC)C;CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)=O;CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O","InChI=1S/C21H34O2/c1-3-4-5-11-14-17-20(2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h7-10,14-15,17-18,20H,3-6,11-13,16,19H2,1-2H3,(H,22,23)/b9-7-,10-8-,17-14-,18-15-/t20-/m0/s1","(5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid","2014-11-26","2021-03-13","(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid","2015-02-11"],["9YJ","1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C15 H16 Cl N5 S","c1(N)ncnc2c1c(nn2C(C)(C)C)Sc3cc(Cl)ccc3;CC(C)(C)n1nc(Sc2cccc(Cl)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl","InChI=1S/C15H16ClN5S/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)","","2017-06-26","2017-07-28","1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-08-02"],["LM9","(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole","C13 H8 Cl2 N4 O","Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1;Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1;c1ccc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl","InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)","","2023-05-05","2023-06-09","(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole","2023-06-14"],["9YK","2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid","C21 H26 N2 O6 S","CSc1ccccc1CN(CCN(CC(O)=O)Cc2cccc(O)c2O)CC(O)=O;CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O","InChI=1S/C21H26N2O6S/c1-30-18-8-3-2-5-15(18)11-22(13-19(25)26)9-10-23(14-20(27)28)12-16-6-4-7-17(24)21(16)29/h2-8,24,29H,9-14H2,1H3,(H,25,26)(H,27,28)","","2017-08-02","2017-12-08","2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid","2017-12-13"],["LMA","Lankamycin","C43 H74 O15","O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(=O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C;CO[CH]1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(O)C(=O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]3C[C](C)(OC)[CH](OC(C)=O)[CH](C)O3)[CH]2C)[CH](C)[CH](C)O)[CH]1C;CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C(C)C(C)O)C)OC(=O)C)C)(C)O)C)C)OC","InChI=1S/C43H74O15/c1-20-18-42(13,49)38(47)26(7)36(54-30(11)45)25(6)35(22(3)28(9)44)57-40(48)27(8)37(24(5)34(20)58-41-23(4)32(50-15)17-21(2)52-41)56-33-19-43(14,51-16)39(29(10)53-33)55-31(12)46/h20-29,32-37,39,41,44,49H,17-19H2,1-16H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-,32-,33-,34-,35+,36-,37-,39+,41-,42-,43+/m0/s1","[(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R,\n4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy-\n2,4-dimethyl-oxan-3-yl] ethanoate","2010-12-15","2020-06-17","(2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-(acetyloxy)-9-hydroxy-14-[(2R,3R)-3-hydroxybutan-2-yl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate (non-preferred name)",""],["9YL","ethyl (2R)-2-oxidanylpropanoate","C5 H10 O3","CCOC(=O)[CH](C)O;CCOC(=O)C(C)O","InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1","Ethyl lactate","2018-08-30","2021-03-01","ethyl (2~{R})-2-oxidanylpropanoate","2019-02-27"],["LMB","Leptomycin B, bound form","C33 H52 O7","O=C(O)CCC(C)C(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)CC;CCC(C=C[CH](O)[CH](C)CCC(O)=O)=C[CH](C)CC=CC(C)=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC(C)=CC(O)=O;CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC(C(C)CCC(=O)O)O","InChI=1S/C33H52O7/c1-9-28(14-15-29(34)24(5)13-16-30(35)36)19-22(3)12-10-11-21(2)17-25(6)32(39)27(8)33(40)26(7)18-23(4)20-31(37)38/h10-11,14-15,17,19-20,22,24-27,29,33-34,40H,9,12-13,16,18H2,1-8H3,(H,35,36)(H,37,38)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1","","2012-10-11","2024-09-27","(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)-17-ethyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid","2013-01-04"],["9YM","[4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate","C14 H24 N3 O8 P","OP(O)(=O)OCc1cnc(c(c1CNC2C(C(C(O)C(N)C2)O)O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2C[CH](N)[CH](O)[CH](O)[CH]2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CC(C(C(C2O)O)O)N)O","InChI=1S/C14H24N3O8P/c1-6-11(18)8(7(3-16-6)5-25-26(22,23)24)4-17-10-2-9(15)12(19)14(21)13(10)20/h3,9-10,12-14,17-21H,2,4-5,15H2,1H3,(H2,22,23,24)/t9-,10+,12+,13-,14-/m0/s1","","2017-06-26","2017-07-07","[4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate","2017-07-12"],["9YN","(2~{S})-~{N}-[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide","C16 H25 N7 O4","CC(C)C[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23;CC(C)CC(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N","InChI=1S/C16H25N7O4/c1-7(2)3-8(17)15(26)22-10-12(25)9(4-24)27-16(10)23-6-21-11-13(18)19-5-20-14(11)23/h5-10,12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,10+,12+,16+/m0/s1","","2017-08-03","2017-11-10","(2~{S})-~{N}-[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide","2017-11-15"],["LMC","(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal","C18 H21 N O","O=CC=C(C=CC=C2N(c1ccccc1C2(C)C)C)C;CN1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O;CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C","InChI=1S/C18H21NO/c1-14(12-13-20)8-7-11-17-18(2,3)15-9-5-6-10-16(15)19(17)4/h5-13H,1-4H3/b8-7+,14-12+,17-11+","(2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal","2008-12-09","2024-09-27","(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal",""],["9YO","1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole","C19 H18 Cl N3 O2 S","c4(S(=O)(n3c1ccc(C)cc1c(C2CNC(C)=N2)c3)=O)ccccc4Cl;Cc1ccc2n(cc([CH]3CNC(=N3)C)c2c1)[S](=O)(=O)c4ccccc4Cl;Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)C4CNC(=N4)C","InChI=1S/C19H18ClN3O2S/c1-12-7-8-18-14(9-12)15(17-10-21-13(2)22-17)11-23(18)26(24,25)19-6-4-3-5-16(19)20/h3-9,11,17H,10H2,1-2H3,(H,21,22)/t17-/m0/s1","","2018-08-31","2018-12-28","1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole","2019-01-02"],["LMD","tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C26 H50 O11","O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1","n-Tetradecyl-b-D-maltopyranosid","2012-06-06","2021-03-01","tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2012-08-24"],["9YP","{[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid","C12 H21 N5 O9 P2","O=P(O)(O)CCOCC(COCP(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O;NC1=Nc2n(C[CH](COCC[P](O)(O)=O)COC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-6-17(10)3-8(5-26-7-28(22,23)24)4-25-1-2-27(19,20)21/h6,8H,1-5,7H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/t8-/m1/s1","","2017-06-27","2024-03-02","{[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid","2017-08-30"],["LME","(2S,3R)-2-azanyl-3-methyl-pentanedioic acid","C6 H11 N O4","O=C(O)C(N)C(CC(=O)O)C;C[CH](CC(O)=O)[CH](N)C(O)=O;CC(CC(=O)O)C(C(=O)O)N","InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1","(3R)-3-methyl-L-glutamic acid","2004-11-05","2024-09-27","(3R)-3-methyl-L-glutamic acid",""],["LMF","NZ(N-METHYL THIOFORMAMIDE) LYSINE","C8 H17 N3 O2 S","CNC(=S)NCCCCC(N)C(O)=O;CNC(=S)NCCCCC(C(=O)O)N","InChI=1S/C8H17N3O2S/c1-10-8(14)11-5-3-2-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H,12,13)(H2,10,11,14)","","1999-07-08","2012-01-13","(2S)-2-amino-6-(methylcarbamothioylamino)hexanoic acid",""],["9YQ","4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide","C30 H29 N7 O3","CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(Nc3ncc4N(C)C(=O)c5cc(C)ccc5N(C)c4n3)cc2;CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C","InChI=1S/C30H29N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h6-17H,5H2,1-4H3,(H,32,38)(H,33,39)(H,31,34,35)","","2017-08-03","2017-09-01","4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide","2017-09-06"],["LMG","1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE","C45 H86 O10","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1","","2001-06-25","2011-06-04","(2S)-3-(beta-D-galactopyranosyloxy)propane-1,2-diyl dioctadecanoate",""],["9YR","2-(methoxycarbonyl)thiophene-3-sulfonic acid","C6 H6 O5 S2","OS(=O)(=O)c1ccsc1C(=O)OC;COC(=O)c1sccc1[S](O)(=O)=O;COC(=O)c1c(ccs1)S(=O)(=O)O","InChI=1S/C6H6O5S2/c1-11-6(7)5-4(2-3-12-5)13(8,9)10/h2-3H,1H3,(H,8,9,10)","","2021-11-01","2022-11-11","2-(methoxycarbonyl)thiophene-3-sulfonic acid","2022-11-16"],["LMH","glucosyl-dolichol phosphate","C31 H55 O9 P","C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15-,25-17-/t26-,27+,28+,29-,30+,31-/m0/s1","","2019-08-25","2020-03-06","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate","2020-03-11"],["9YS","6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide","C23 H23 N5 O2 S","C(Cc1ccccc1)(CO)Nc2c(cnc(c2)Nc3cc4scnc4cc3)C(=O)NC;CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[CH](CO)Cc4ccccc4;CNC(=O)c1cnc(cc1NC(Cc2ccccc2)CO)Nc3ccc4c(c3)scn4","InChI=1S/C23H23N5O2S/c1-24-23(30)18-12-25-22(28-16-7-8-19-21(10-16)31-14-26-19)11-20(18)27-17(13-29)9-15-5-3-2-4-6-15/h2-8,10-12,14,17,29H,9,13H2,1H3,(H,24,30)(H2,25,27,28)/t17-/m0/s1","","2017-06-27","2017-10-06","6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide","2017-10-11"],["LMI","tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate","C16 H23 N3 O5","CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO;CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO","InChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)17-9-8-13(20)18-10-11-4-6-12(7-5-11)14(21)19-23/h4-7,23H,8-10H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)","","2022-11-25","2023-05-26","~{tert}-butyl ~{N}-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate","2023-05-31"],["9YT","(2~{S})-4-acetamido-2-azanyl-butanoic acid","C6 H12 N2 O3","CC(=O)NCC[CH](N)C(O)=O;CC(=O)NCCC(C(=O)O)N","InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1","","2017-08-04","2018-08-17","(2~{S})-4-acetamido-2-azanyl-butanoic acid","2018-08-22"],["LMJ","(5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7\n,6-b]carbazol-14-one","C21 H23 Br Cl N3 O","C5(C)(C1CC32C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56)=O)C;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c1[nH]c6cc(Br)c(Cl)cc56)NC4=O;CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H23BrClN3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-14(23)13(22)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1","isomalbrancheamide D","2019-03-04","2020-06-17","(5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2019-08-07"],["9YU","2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol","C15 H32 O8","COCCOCCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C15H32O8/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16/h16H,2-15H2,1H3","","2021-11-22","2022-08-22","2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol","2022-04-06"],["LMK","trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium","C46 H94 N O7","CCCCCCCCCCCCCCCCC[CH](O)OC[CH](COCC[CH](C(O)=O)[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(O)OCC(COCCC(C(=O)O)[N+](C)(C)C)OC(CCCCCCCCCCCCCCCCC)O","InChI=1S/C46H93NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-44(48)53-41-42(40-52-39-38-43(46(50)51)47(3,4)5)54-45(49)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42-45,48-49H,6-41H2,1-5H3/p+1/t42-,43+,44+,45-/m0/s1","","2019-08-27","2020-06-19","trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium","2020-06-24"],["9YV","4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide","C26 H30 N6 O2","c2(C(=O)NC1CCN(CC1)C)ccc(cc2)Nc3ncc(c(c3)NCc4ccccc4)C(=O)N;CN1CCC(CC1)NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(cn3)C(N)=O)cc2;CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4","InChI=1S/C26H30N6O2/c1-32-13-11-21(12-14-32)31-26(34)19-7-9-20(10-8-19)30-24-15-23(22(17-29-24)25(27)33)28-16-18-5-3-2-4-6-18/h2-10,15,17,21H,11-14,16H2,1H3,(H2,27,33)(H,31,34)(H2,28,29,30)","","2017-06-27","2017-10-06","4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide","2017-10-11"],["LML","ISOBUTYL MALONIC ACID","C7 H12 O4","O=C(O)C(C(=O)O)CC(C)C;CC(C)CC(C(O)=O)C(O)=O;CC(C)CC(C(=O)O)C(=O)O","InChI=1S/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)","","1999-07-08","2024-09-27","(2-methylpropyl)propanedioic acid",""],["9YW","(alpha-D-glucopyranosyloxy)acetic acid","C8 H14 O8","OC[CH]1O[CH](OCC(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC(=O)O)O)O)O)O","InChI=1S/C8H14O8/c9-1-3-5(12)6(13)7(14)8(16-3)15-2-4(10)11/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5-,6+,7-,8+/m1/s1","Glucosylglycolate; (alpha-D-glucosyloxy)acetic acid; (D-glucosyloxy)acetic acid; (glucosyloxy)acetic acid","2017-08-05","2020-07-17","2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoic acid","2018-08-29"],["9YX","(2~{S},4~{S})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid","C11 H15 N2 O7 P S","Cc1ncc(CO[P](O)(O)=O)c([CH]2N[CH](CS2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C2NC(CS2)C(=O)O)O","InChI=1S/C11H15N2O7PS/c1-5-9(14)8(10-13-7(4-22-10)11(15)16)6(2-12-5)3-20-21(17,18)19/h2,7,10,13-14H,3-4H2,1H3,(H,15,16)(H2,17,18,19)/t7-,10+/m1/s1","","2022-04-17","2023-03-31","(2~{S},4~{S})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid","2023-04-05"],["LMM","N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine","C17 H17 F N8 S","Fc1cnc(nc1)C(Nc2nc(c3scc(c3n2)C)Nc4ncn(c4)C)C;C[CH](Nc1nc(Nc2cn(C)cn2)c3scc(C)c3n1)c4ncc(F)cn4;Cc1csc2c1nc(nc2Nc3cn(cn3)C)NC(C)c4ncc(cn4)F","InChI=1S/C17H17FN8S/c1-9-7-27-14-13(9)24-17(22-10(2)15-19-4-11(18)5-20-15)25-16(14)23-12-6-26(3)8-21-12/h4-8,10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1","","2013-09-17","2014-04-28","N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N~4~-(1-methyl-1H-imidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine","2014-01-08"],["9YY","4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyridine-3-carboxamide","C21 H19 N5 O2","c1(ccccc1)CNc2c(cnc(c2)Nc4cc3CC(=O)Nc3cc4)C(=O)N;NC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)cc1NCc4ccccc4;c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4","InChI=1S/C21H19N5O2/c22-21(28)16-12-24-19(10-18(16)23-11-13-4-2-1-3-5-13)25-15-6-7-17-14(8-15)9-20(27)26-17/h1-8,10,12H,9,11H2,(H2,22,28)(H,26,27)(H2,23,24,25)","","2017-06-27","2017-10-06","4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyridine-3-carboxamide","2017-10-11"],["LMN","Lauryl Maltose Neopentyl Glycol","C47 H88 O22","O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO;CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1","2,2-didecylpropane-1,3-bis-b-D-maltopyranoside","2012-09-12","2020-06-17","2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside","2012-11-30"],["LMO","dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside","C24 H46 O11","C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O;CCCCCCCCCCCCO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1","DDMB; dodecyl melibioside","2020-12-21","2021-07-30","dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside","2021-08-04"],["9YZ","methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate","C13 H16 N2 O3","CCC(=O)N1CCN(C(=O)OC)c2ccccc12;CCC(=O)N1CCN(c2c1cccc2)C(=O)OC","InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3","","2017-08-05","2024-09-27","methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate","2018-03-14"],["9Z0","4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide","C8 H10 Br2 N2 O2","O=C(c1cc(Br)c(Br)n1)NCCCO;OCCCNC(=O)c1[nH]c(Br)c(Br)c1;c1c(c([nH]c1C(=O)NCCCO)Br)Br","InChI=1S/C8H10Br2N2O2/c9-5-4-6(12-7(5)10)8(14)11-2-1-3-13/h4,12-13H,1-3H2,(H,11,14)","","2015-01-22","2015-05-01","4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide","2015-05-06"],["LMP","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy\nl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C17 H27 N3 O6 S","C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O;CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C","InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,14+/m1/s1","Hydrolyzed Meropenem","2016-03-18","2024-09-27","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2016-05-11"],["LMQ","(3S)-3-methyl-L-glutamine","C6 H12 N2 O3","O=C(N)CC(C)C(N)C(=O)O;C[CH](CC(N)=O)[CH](N)C(O)=O;CC(CC(=O)N)C(C(=O)O)N","InChI=1S/C6H12N2O3/c1-3(2-4(7)9)5(8)6(10)11/h3,5H,2,8H2,1H3,(H2,7,9)(H,10,11)/t3-,5-/m0/s1","beta-methylglutamine","2008-06-02","2024-09-27","(3S)-3-methyl-L-glutamine",""],["9Z1","(3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione","C23 H23 N5 O4","CC(C)(C35C2(NC(C(=C/c1cncn1)N2C(C(=C3)O)=O)=O)N(c4ccccc45)OC)/C=C;CON1c2ccccc2[C]3(C=C(O)C(=O)N4C(=Cc5c[nH]cn5)C(=O)N[C]134)C(C)(C)C=C;CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=Cc4c[nH]cn4)N(c5c2cccc5)OC)O","InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1","Meleagrin","2017-06-27","2021-03-01","(3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione","2018-06-27"],["LMR","(2S)-2-hydroxybutanedioic acid","C4 H6 O5","O=C(O)CC(O)C(=O)O;O[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)O)C(=O)O","InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1","L-Malate","2008-03-24","2024-09-27","(2S)-2-hydroxybutanedioic acid",""],["9Z2","~{N}-(4-pyrimidin-2-ylphenyl)propanamide","C13 H13 N3 O","CCC(=O)Nc1ccc(cc1)c2ncccn2;CCC(=O)Nc1ccc(cc1)c2ncccn2","InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17)","","2017-08-05","2024-09-27","~{N}-(4-pyrimidin-2-ylphenyl)propanamide","2018-08-29"],["LMS","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE","C10 H14 N6 O6 S","O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N","InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1","","2002-09-11","2011-06-04","5'-O-sulfamoyladenosine",""],["9Z3","N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine","C12 H23 N2 O9 P S","C(=O)(C(C(C)(COP(O)(O)=O)C)O)NCCC(=O)NC(C(O)=O)CS;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)N[CH](CS)C(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NC(CS)C(=O)O)O","InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1","","2018-08-31","2019-03-15","N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine","2019-03-20"],["LMT","DODECYL-BETA-D-MALTOSIDE","C24 H46 O11","O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1","","1999-08-25","2011-06-04","dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["9Z4","4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide","C18 H19 N5 O2","c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O;CCC(=O)Nc1cccc(CNc2c3cccn3ncc2C(N)=O)c1;CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N","InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24)","4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form","2017-07-12","2024-09-27","4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide","2017-10-04"],["LMU","DODECYL-ALPHA-D-MALTOSIDE","C24 H46 O11","O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1","","2000-05-05","2011-06-04","dodecyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside",""],["9Z5","(4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine","C25 H21 N3 O2","COc1c(nc2c(Cc3ccccc3)nc(cn21)c1ccccc1)Cc1ccco1;COc1n2cc(nc(Cc3ccccc3)c2nc1Cc4occc4)c5ccccc5;COc1c(nc2n1cc(nc2Cc3ccccc3)c4ccccc4)Cc5ccco5","InChI=1S/C25H21N3O2/c1-29-25-22(16-20-13-8-14-30-20)27-24-21(15-18-9-4-2-5-10-18)26-23(17-28(24)25)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3","","2021-11-01","2022-11-11","(4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine","2022-11-16"],["LMV","(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide","C24 H28 Cl2 N2 O4 S","CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl;CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC(O2)c3ccc(cc3Cl)Cl)CC4CCC4","InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1","","2019-03-04","2020-02-28","(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide","2020-03-04"],["9Z6","(5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name)","C15 H28 N3 O11 P S2","C(=O)(C(O)C(C)(COP(O)(=O)O)C)NCCC(NC(C(=O)O)CSSCC(N)C(O)=O)=O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)N[CH](CSSC[CH](N)C(O)=O)C(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NC(CSSCC(C(=O)O)N)C(=O)O)O","InChI=1S/C15H28N3O11PS2/c1-15(2,7-29-30(26,27)28)11(20)12(21)17-4-3-10(19)18-9(14(24)25)6-32-31-5-8(16)13(22)23/h8-9,11,20H,3-7,16H2,1-2H3,(H,17,21)(H,18,19)(H,22,23)(H,24,25)(H2,26,27,28)/t8-,9-,11-/m0/s1","","2018-08-31","2019-03-15","(5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name)","2019-03-20"],["9Z7","(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1\n',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione","C24 H25 N5 O4","c15ccccc1C4(C3(NC(C(=C/c2cncn2)N3C(C(=C4)OC)=O)=O)N5OC)C(C)([C@H]=C)C;CON1c2ccccc2[C]3(C=C(OC)C(=O)N4C(=Cc5c[nH]cn5)C(=O)N[C]134)C(C)(C)C=C;CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=Cc4c[nH]cn4)N(c5c2cccc5)OC)OC","InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1","oxaline","2017-06-27","2020-06-17","(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione","2018-07-04"],["LMW","2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol","C10 H16 N2 O","CCN(CCO)c1ccc(N)cc1;CCN(CCO)c1ccc(N)cc1;CCN(CCO)c1ccc(cc1)N","InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3","","2022-03-04","2022-03-11","2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol","2022-03-16"],["LMY","~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide","C32 H35 F3 N8 O S","CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1;Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F","InChI=1S/C32H35F3N8OS/c1-19-20(3-4-26-24(19)9-22(12-36)43(26)17-30-14-31(15-30,16-30)38-18-44)13-42-7-5-21(6-8-42)39-27-25-10-23(11-32(33,34)35)45-28(25)41-29(37-2)40-27/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,38,44)(H2,37,39,40,41)/t30-,31+","","2019-03-04","2020-01-03","~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide","2020-01-08"],["9Z8","6-(2-Mercaptoacetylamino)-N-phenylhexanamide","C14 H20 N2 O2 S","O=C(Nc1ccccc1)CCCCCNC(=O)CS;SCC(=O)NCCCCCC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)CCCCCNC(=O)CS","InChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17)","","2014-02-14","2014-03-28","N-phenyl-6-[(sulfanylacetyl)amino]hexanamide","2014-04-02"],["LMZ","5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE","C9 H14 N4 O7","O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)C(=O)N1;OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)NC(=O)N1;C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O","InChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1","","1999-07-30","2011-06-04","1-deoxy-1-[(5-nitroso-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-D-ribitol",""],["9Z9","(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en","C34 H56 O5","CC34C2C(OC1(OCC(CC1)C)C2C)CC3C5C(CC4)C6(C)C(=CC5)CC(CC6)OCCC(COC)COC;COCC(CCO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH]5O[C]6(CC[CH](C)CO6)[CH](C)[CH]45)[CH]3CC=C2C1)COC;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC)COC)C)C)C)OC1","InChI=1S/C34H56O5/c1-22-9-15-34(38-19-22)23(2)31-30(39-34)18-29-27-8-7-25-17-26(37-16-12-24(20-35-5)21-36-6)10-13-32(25,3)28(27)11-14-33(29,31)4/h7,22-24,26-31H,8-21H2,1-6H3/t22-,23+,26+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1","","2018-09-07","2018-10-05","(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en","2018-10-10"],["LN0","methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose","C18 H32 N2 O6 S","O=C(C)C(NC(=O)C1N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O;CCC[CH]1C[CH](N(C)C1)C(=O)N[CH]([CH]2O[CH](SC)[CH](O)[CH](O)[CH]2O)C(C)=O;CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(=O)C","InChI=1S/C18H32N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h10-16,18,22-24H,5-8H2,1-4H3,(H,19,25)/t10-,11+,12-,13+,14-,15-,16-,18-/m1/s1","lincomycin, oxidized form","2012-03-29","2020-06-17","methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose",""],["9ZA","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid","C14 H21 N6 O8 P","OP(=O)(OCC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)NC(C(OC)=O)C;COC(=O)[CH](C)N[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(=O)OC)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H21N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,21-22H,3H2,1-2H3,(H2,15,16,17)(H2,19,24,25)/t6-,7+,9+,10+,13+/m0/s1","","2017-06-28","2017-10-13","methyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoate (non-preferred name)","2017-10-18"],["LN1","(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine","C22 H22 N2 O9 S","O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)c(O)c3;C[C](COC(=O)Cc1ccc(O)c(O)c1)([CH](Nc2n3ccccc3cc2C=O)C(O)=O)[S](O)=O;CC(COC(=O)Cc1ccc(c(c1)O)O)(C(C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O","InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1","","2008-05-15","2024-09-27","(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine",""],["9ZB","1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one","C13 H18 N2 O","CCN1CCN(C(=O)CC)c2ccccc12;CCC(=O)N1CCN(c2c1cccc2)CC","InChI=1S/C13H18N2O/c1-3-13(16)15-10-9-14(4-2)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3","","2017-08-05","2024-09-27","1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one","2018-08-29"],["LN2","(2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid","C28 H25 F N2 O5","C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3Cc4ccccc4C3=O","InChI=1S/C28H25FN2O5/c1-16(28(35)36)30-26(33)25(31-15-21-5-3-4-6-22(21)27(31)34)13-18-7-9-19(10-8-18)23-14-20(17(2)32)11-12-24(23)29/h3-12,14,16,25H,13,15H2,1-2H3,(H,30,33)(H,35,36)/t16-,25-/m0/s1","","2022-07-07","2023-04-21","(2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid","2023-04-26"],["9ZC","N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide","C21 H23 N3 O4","c2(c1c(cc(O)c(c1)C(C)C)O)nnc(c2c3ccc(OC)cc3)NC(=O)C;COc1ccc(cc1)c2c([nH]nc2c3cc(C(C)C)c(O)cc3O)NC(C)=O;CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC","InChI=1S/C21H23N3O4/c1-11(2)15-9-16(18(27)10-17(15)26)20-19(21(24-23-20)22-12(3)25)13-5-7-14(28-4)8-6-13/h5-11,26-27H,1-4H3,(H2,22,23,24,25)","","2018-09-07","2019-05-17","N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide","2019-05-22"],["LN3","(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid","C40 H52 N6 O17 S","OC(=O)C[CH](NC(=O)[CH](CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCCCCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc2)C(O)=O)C(O)=O;c1cc(ccc1c2cnc(s2)NC(=O)CCC(=O)N(CCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)CC(=O)O)C(=O)O","InChI=1S/C40H52N6O17S/c47-29(42-25(18-32(50)51)36(58)43-26(19-33(52)53)37(59)44-27(39(62)63)20-34(54)55)10-8-6-4-2-1-3-5-7-9-17-46(22-35(56)57)31(49)16-15-30(48)45-40-41-21-28(64-40)23-11-13-24(14-12-23)38(60)61/h11-14,21,25-27H,1-10,15-20,22H2,(H,42,47)(H,43,58)(H,44,59)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,41,45,48)/t25-,26-,27-/m0/s1","","2023-08-21","2023-12-01","(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid","2023-12-06"],["9ZD","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid","C14 H21 N6 O8 P","OP(=O)(OCC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)NC(C)C(=O)OC;COC(=O)[CH](C)N[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(=O)OC)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H21N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,21-22H,3H2,1-2H3,(H2,15,16,17)(H2,19,24,25)/t6-,7-,9-,10-,13-/m1/s1","","2017-06-28","2017-10-13","methyl (2R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoate (non-preferred name)","2017-10-18"],["LN4","1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea","C25 H21 F4 N7 O3 S","CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc(Nc4cccc(c4)[S](N)(=O)=O)n3;CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N","InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37)","","2019-03-05","2020-09-11","1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea","2020-09-16"],["9ZE","1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone","C10 H10 O3","O=C(c1ccc2OCCOc2c1)C;CC(=O)c1ccc2OCCOc2c1;CC(=O)c1ccc2c(c1)OCCO2","InChI=1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3","","2013-07-31","2014-02-21","1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone","2014-02-26"],["LN5","N5-(1-iminopropyl)-L-ornithine","C8 H17 N3 O2","O=C(O)C(N)CCCNC(=[N@H])CC;CCC(=N)NCCC[CH](N)C(O)=O;[H]N=C(CC)NCCCC(C(=O)O)N","InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1","(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid","2009-07-07","2024-09-27","N~5~-[(1Z)-propanimidoyl]-L-ornithine",""],["9ZF","1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea","C17 H19 F3 N2 O","C3(NC(Nc1c(F)c(c(F)cc1)F)=O)C2CC4CC(C2)CC3C4;Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F;c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F","InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)/t8-,9+,10-,11+,16-","","2018-09-07","2018-12-21","N-[(1R,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-2-yl]-N'-(2,3,4-trifluorophenyl)urea","2018-12-26"],["LN6","N~5~-[(1E)-pentanimidoyl]-L-ornithine","C10 H21 N3 O2","O=C(O)C(N)CCCNC(=[N@H])CCCC;CCCCC(=N)NCCC[CH](N)C(O)=O;CCCCC(=N)NCCCC(C(=O)O)N","InChI=1S/C10H21N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1","N5-(1-iminopentyl)-L-ornithine","2010-10-20","2021-03-01","N~5~-[(1E)-pentanimidoyl]-L-ornithine",""],["9ZG","(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate","C20 H26 N4 O3","CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2;CN(CN)N(C)C(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2","InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1","","2021-11-22","2024-09-27","(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate","2022-01-26"],["LN7","N~5~-[(1S)-1-aminopentyl]-L-ornithine","C10 H23 N3 O2","O=C(O)C(N)CCCNC(N)CCCC;CCCC[CH](N)NCCC[CH](N)C(O)=O;CCCCC(N)NCCCC(C(=O)O)N","InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1","","2010-10-20","2024-09-27","N~5~-[(1S)-1-aminopentyl]-L-ornithine",""],["9ZH","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione","C26 H26 N2 O5","CN1C(=O)N(CCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCCc3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C26H26N2O5/c1-16-18(24(31)23-20(29)11-6-12-21(23)30)13-14-19-22(16)25(32)28(26(33)27(19)2)15-7-10-17-8-4-3-5-9-17/h3-5,8-9,13-14,29H,6-7,10-12,15H2,1-2H3","","2022-03-14","2022-05-27","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione","2022-06-01"],["LN8","Kiteplatin","C6 H14 Cl2 N2 Pt","NC1CCC(N)CC1.Cl[Pt]Cl;C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl","InChI=1S/C6H14N2.2ClH.Pt/c7-5-1-2-6(8)4-3-5;;;/h5-6H,1-4,7-8H2;2*1H;/q;;;+4/p-2/t5-,6+;;;","","2019-08-28","2025-11-10","3,3-bis(chloranyl)-2,4-diazonia-3$l^{4}-platinabicyclo[3.2.2]nonane","2020-04-01"],["9ZJ","(2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine","C15 H13 Cl F3 N O","C1C(C1)C#CC2(OC(C)Nc3c2cc(cc3)Cl)C(F)(F)F;C[CH]1Nc2ccc(Cl)cc2[C](O1)(C#CC3CC3)C(F)(F)F;CC1Nc2ccc(cc2C(O1)(C#CC3CC3)C(F)(F)F)Cl","InChI=1S/C15H13ClF3NO/c1-9-20-13-5-4-11(16)8-12(13)14(21-9,15(17,18)19)7-6-10-2-3-10/h4-5,8-10,20H,2-3H2,1H3/t9-,14+/m1/s1","","2017-06-29","2018-04-27","(2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine","2018-05-02"],["LN9","1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one","C21 H24 O10","OC[CH]1O[CH](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[CH](O)[CH](O)[CH]1O;c1cc(ccc1CCC(=O)c2c(cc(cc2OC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1","Phlorizin","2022-12-01","2023-11-17","1-[2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one","2023-11-22"],["9ZK","(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","C38 H51 N5 O6","C[CH]1CCC=C(C)C[CH](C)C(=O)N[CH](CCCCN)C(=O)N(C)[CH](Cc2c[nH]c3ccccc23)C(=O)N[CH](CC(=O)O1)c4ccc(O)cc4;CC1CCC=C(CC(C(=O)NC(C(=O)N(C(C(=O)NC(CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)C","InChI=1S/C38H51N5O6/c1-24-10-9-11-26(3)49-35(45)22-33(27-15-17-29(44)18-16-27)42-37(47)34(21-28-23-40-31-13-6-5-12-30(28)31)43(4)38(48)32(14-7-8-19-39)41-36(46)25(2)20-24/h5-6,10,12-13,15-18,23,25-26,32-34,40,44H,7-9,11,14,19-22,39H2,1-4H3,(H,41,46)(H,42,47)/b24-10+/t25-,26-,32-,33+,34+/m0/s1","","2017-08-07","2018-06-08","(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","2018-06-13"],["LNA","(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid","C18 H31 N O4","[O-][N+](=O)/C(=C/CCCCCCCC(=O)O)CC=C/CCCCC;CCCCCC=CCC(=CCCCCCCCC(O)=O)[N+]([O-])=O;CCCCCC=CCC(=CCCCCCCCC(=O)O)[N+](=O)[O-]","InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+","","2008-05-05","2011-06-04","(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid",""],["9ZL","~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","C19 H17 Cl F3 N3 O S","CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2;CC(C)Oc1ccc(cc1Cl)c2ncc(s2)CNc3ccnc(c3)C(F)(F)F","InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25)","","2021-11-22","2022-11-18","~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","2022-11-23"],["LNB","(9Z,12E)-12-nitrooctadeca-9,12-dienoic acid","C18 H31 N O4","O=C(O)CCCCCCC/C=CCC(=C/CCCCC)[N+]([O-])=O;CCCCCC=C(CC=CCCCCCCCC(O)=O)[N+]([O-])=O;CCCCCC=C(CC=CCCCCCCCC(=O)O)[N+](=O)[O-]","InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+","","2008-05-05","2011-06-04","(9Z,12E)-12-nitrooctadeca-9,12-dienoic acid",""],["9ZM","methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate","C31 H26 Cl F N10 O4","n6cn(c1c(cc(Cl)cc1)[C@H]=[C@H]C(NC4c2nc(cn2)c3c(cc(cc3)NC(OC)=O)NC(CCc5nc(C4)ccc5F)=O)=O)nn6;COC(=O)Nc1ccc2c(NC(=O)CCc3nc(C[CH](NC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)c6[nH]cc2n6)ccc3F)c1;COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)CC(c4[nH]cc2n4)NC(=O)C=Cc5cc(ccc5n6cnnn6)Cl)F","InChI=1S/C31H26ClFN10O4/c1-47-31(46)37-20-4-6-21-24(13-20)38-29(45)11-8-23-22(33)7-5-19(36-23)14-25(30-34-15-26(21)40-30)39-28(44)10-2-17-12-18(32)3-9-27(17)43-16-35-41-42-43/h2-7,9-10,12-13,15-16,25H,8,11,14H2,1H3,(H,34,40)(H,37,46)(H,38,45)(H,39,44)/b10-2+/t25-/m0/s1","","2017-06-29","2017-07-28","methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate","2017-08-02"],["LNC","(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE","C25 H33 N7 O17 P2","NC(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c(c[n+](cc1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)CCC(C(=O)O)O","InChI=1S/C25H33N7O17P2/c26-20-15-22(29-8-28-20)32(9-30-15)24-19(37)17(35)14(48-24)7-46-51(43,44)49-50(41,42)45-6-13-16(34)18(36)23(47-13)31-4-10(1-2-12(33)25(39)40)3-11(5-31)21(27)38/h3-5,8-9,12-14,16-19,23-24,33-37H,1-2,6-7H2,(H6-,26,27,28,29,38,39,40,41,42,43,44)/t12-,13+,14+,16+,17+,18+,19+,23+,24+/m0/s1","S-LAC-NAD+","2003-04-25","2020-06-17","[[(2R,3S,4R,5R)-5-[3-aminocarbonyl-5-[(3S)-3,4-dihydroxy-4-oxo-butyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["9ZN","(2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid","C13 H19 N2 O7 P S","Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C(O)=O)C(C)(C)S)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(=O)O)C(C)(C)S)O","InChI=1S/C13H19N2O7PS/c1-7-10(16)9(5-15-11(12(17)18)13(2,3)24)8(4-14-7)6-22-23(19,20)21/h4-5,11,16,24H,6H2,1-3H3,(H,17,18)(H2,19,20,21)/b15-5+/t11-/m1/s1","","2022-04-05","2023-03-31","(2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid","2023-04-05"],["9ZO","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione","C27 H28 N2 O5","CN1C(=O)N(CCCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCCCc3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C27H28N2O5/c1-17-19(25(32)24-21(30)12-8-13-22(24)31)14-15-20-23(17)26(33)29(27(34)28(20)2)16-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,14-15,30H,6-8,11-13,16H2,1-2H3","","2022-03-14","2022-05-27","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione","2022-06-01"],["LND","4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium","C13 H16 N5 O2","c1[n+](ccc(c1)C(N)=O)CCCn2c(ncc2)C=NO;NC(=O)c1cc[n+](CCCn2ccnc2C=NO)cc1;c1c[n+](ccc1C(=O)N)CCCn2ccnc2C=NO","InChI=1S/C13H15N5O2/c14-13(19)11-2-7-17(8-3-11)5-1-6-18-9-4-15-12(18)10-16-20/h2-4,7-10H,1,5-6H2,(H2-,14,15,19,20)/p+1","","2019-03-05","2019-05-24","4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium","2019-05-29"],["LNE","N-ethyl-L-leucinamide","C8 H18 N2 O","O=C(NCC)C(N)CC(C)C;CCNC(=O)[CH](N)CC(C)C;CCNC(=O)C(CC(C)C)N","InChI=1S/C8H18N2O/c1-4-10-8(11)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-/m0/s1","","2011-08-03","2012-07-27","N-ethyl-L-leucinamide",""],["9ZP","4-[[(4R)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-3-methoxy-benzamide","C25 H32 N8 O2","O=C(NC1CC1)c2ccc(c(OC)c2)Nc5nc4N(C(C3N(C=NN3)c4cn5)CC)C6CCCC6;CC[CH]1[CH]2NN=CN2c3cnc(Nc4ccc(cc4OC)C(=O)NC5CC5)nc3N1C6CCCC6;CCC1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6","InChI=1S/C25H32N8O2/c1-3-19-23-31-27-14-32(23)20-13-26-25(30-22(20)33(19)17-6-4-5-7-17)29-18-11-8-15(12-21(18)35-2)24(34)28-16-9-10-16/h8,11-14,16-17,19,23,31H,3-7,9-10H2,1-2H3,(H,28,34)(H,26,29,30)/t19-,23-/m1/s1","","2012-08-14","2014-09-05","4-{[(3aS,4R)-5-cyclopentyl-4-ethyl-3,3a,4,5-tetrahydro[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino}-N-cyclopropyl-3-methoxybenzamide","2013-08-21"],["LNF","diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium","C32 H38 N4 O","CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25;CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c3[n+](c4c2[nH]c5c4cccc5C)C)C","InChI=1S/C32H36N4O/c1-6-36(7-2)20-10-19-33-32(37)24-17-15-23(16-18-24)27-25-13-9-12-22(4)30(25)35(5)31-26-14-8-11-21(3)28(26)34-29(27)31/h8-9,11-18H,6-7,10,19-20H2,1-5H3,(H,33,37)/p+2","4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium","2022-07-07","2022-11-11","diethyl-[3-[[4-(4,5,9-trimethyl-10~{H}-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium","2022-11-16"],["9ZQ","Ru(phen)2(dppz-11,12-Me2)","C44 H30 N8 Ru","Cc1cc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2cc1C;Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2","InChI=1S/C20H14N4.2C12H8N2.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-10H,1-2H3;2*1-8H;/q;;;+6","","2016-07-05","2017-02-10","","2017-02-15"],["LNG","Delta-3isotetradecenoic acid","C14 H26 O2","O=C(O)CC=C/CCCCCCCC(C)C;CC(C)CCCCCCCC=CCC(O)=O;CC(C)CCCCCCCC=CCC(=O)O","InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8-","","2004-07-16","2024-09-27","(3Z)-12-methyltridec-3-enoic acid",""],["9ZR","[(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-docos-13-enoate","C46 H89 N O8 P","C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCC;CCCCCCCCC=CCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/p+1/b19-17-,21-20-/t44-/m1/s1","","2023-04-20","2023-06-30","(4R,7R,22Z)-7-{[(9Z)-hexadec-9-enoyl]oxy}-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphahentriacont-22-en-1-aminium","2023-07-05"],["LNH","3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid","C23 H21 N7 O3","O=C(O)CCn5c1ccc(NC(=O)C)cc1c(c2nc4c(C#N)cnn4c(c2)NC3CC3)c5;CC(=O)Nc1ccc2n(CCC(O)=O)cc(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1;CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C23H21N7O3/c1-13(31)26-16-4-5-20-17(8-16)18(12-29(20)7-6-22(32)33)19-9-21(27-15-2-3-15)30-23(28-19)14(10-24)11-25-30/h4-5,8-9,11-12,15,27H,2-3,6-7H2,1H3,(H,26,31)(H,32,33)","","2011-10-12","2012-08-17","3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid",""],["9ZS","N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide","C16 H12 Cl2 N4 O","c1(c(cccc1Cl)Cl)c4nc3c(ccnc3NC(C2CC2)=O)n4;Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2;c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl","InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)12(9)14-20-11-6-7-19-15(13(11)21-14)22-16(23)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)(H,19,22,23)","","2017-06-29","2017-09-01","N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide","2017-09-06"],["9ZT","(1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid","C15 H18 O7","O=C1C(C(O)(C(=O)O)CC(O)C1O)Cc2ccc(OC)cc2;COc1ccc(C[CH]2C(=O)[CH](O)[CH](O)C[C]2(O)C(O)=O)cc1;COc1ccc(cc1)CC2C(=O)C(C(CC2(C(=O)O)O)O)O","InChI=1S/C15H18O7/c1-22-9-4-2-8(3-5-9)6-10-12(17)13(18)11(16)7-15(10,21)14(19)20/h2-5,10-11,13,16,18,21H,6-7H2,1H3,(H,19,20)/t10-,11-,13+,15-/m1/s1","","2012-08-14","2014-09-14","(1R,2S,4S,5R)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid","2012-12-14"],["LNI","3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid","C5 H11 O3 S","C[S+](C)(=O)CCC(O)=O;C[S+](=O)(C)CCC(=O)O","InChI=1S/C5H10O3S/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3/p+1","Dimethylsulfoxonium propionate","2022-12-01","2023-09-29","3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid","2023-10-04"],["LNJ","4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine","C17 H16 N2 O S","c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC;COc1ccc(Cc2ccc(cc2)c3csc(N)n3)cc1;COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N","InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)","","2019-03-06","2019-11-29","4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine","2019-12-04"],["9ZU","5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one","C23 H17 F3 N2 O4","Cc1c(ccc2N=C(N(C(=O)c12)c3ccccc3)C(F)(F)F)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=N2)C(F)(F)F)c3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C23H17F3N2O4/c1-12-14(20(31)19-16(29)8-5-9-17(19)30)10-11-15-18(12)21(32)28(13-6-3-2-4-7-13)22(27-15)23(24,25)26/h2-4,6-7,10-11,29H,5,8-9H2,1H3","","2022-03-14","2022-05-27","5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one","2022-06-01"],["LNK","PENTANE","C5 H12","CCCCC;CCCCC;CCCCC","InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3","","2001-05-15","2024-09-27","pentane",""],["9ZV","3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid","C20 H16 N4 O3","C(c1ccccc1)C3=NN4C(CCC(=O)O)=Nc2ccccc2C4=NC3=O;OC(=O)CCC1=Nc2ccccc2C3=NC(=O)C(=NN13)Cc4ccccc4;c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O","InChI=1S/C20H16N4O3/c25-18(26)11-10-17-21-15-9-5-4-8-14(15)19-22-20(27)16(23-24(17)19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,25,26)","","2017-06-30","2017-07-28","3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid","2017-08-02"],["LNL","ALPHA-LINOLENIC ACID","C18 H30 O2","O=C(O)CCCCCCCC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCCCCCCCC(O)=O;CCC=CCC=CCC=CCCCCCCCC(=O)O","InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-","","2000-08-23","2011-06-04","(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid",""],["9ZW","4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one","C23 H25 N O4","C[CH](Oc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4;CC1=C(C(=O)Oc2c1ccc(c2)OC(C)c3ccccc3)CN4CCOCC4","InChI=1S/C23H25NO4/c1-16-20-9-8-19(27-17(2)18-6-4-3-5-7-18)14-22(20)28-23(25)21(16)15-24-10-12-26-13-11-24/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1","","2021-02-09","2021-05-14","4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one","2021-05-19"],["9ZX","4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one","C24 H27 N O4","C[CH](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4;CC1=C(C(=O)Oc2c1ccc(c2)OCC(C)c3ccccc3)CN4CCOCC4","InChI=1S/C24H27NO4/c1-17(19-6-4-3-5-7-19)16-28-20-8-9-21-18(2)22(24(26)29-23(21)14-20)15-25-10-12-27-13-11-25/h3-9,14,17H,10-13,15-16H2,1-2H3/t17-/m1/s1","","2021-02-09","2021-05-14","4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one","2021-05-19"],["LNM","N-methyl-L-leucinamide","C7 H16 N2 O","O=C(NC)C(N)CC(C)C;CNC(=O)[CH](N)CC(C)C;CC(C)CC(C(=O)NC)N","InChI=1S/C7H16N2O/c1-5(2)4-6(8)7(10)9-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1","","2011-08-03","2012-07-27","N-methyl-L-leucinamide",""],["LNN","(6-hydroxybiphenyl-3-yl)acetic acid","C14 H12 O3","c1(ccc(CC(O)=O)cc1c2ccccc2)O;OC(=O)Cc1ccc(O)c(c1)c2ccccc2;c1ccc(cc1)c2cc(ccc2O)CC(=O)O","InChI=1S/C14H12O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,16,17)","","2016-01-21","2016-03-25","(6-hydroxybiphenyl-3-yl)acetic acid","2016-03-30"],["9ZY","2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid","C20 H13 Cl N2 O4","O=C(c4cc(n3c1OC(C=C(c1c(c2ccccc2)n3)C)=O)ccc4Cl)O;CC1=CC(=O)Oc2n(nc(c3ccccc3)c12)c4ccc(Cl)c(c4)C(O)=O;CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4","InChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26)","","2017-06-30","2017-07-14","2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid","2017-07-19"],["9ZZ","Erythrosin","C20 H8 I4 O5","OC(=O)c1ccccc1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c(O)c(I)cc24)I;c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O","InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)","","2017-08-07","2018-03-02","2-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid","2018-03-07"],["LNO","L-LEUCYL-HYDROXYLAMINE","C6 H14 N2 O2","O=C(NO)C(N)CC(C)C;CC(C)C[CH](N)C(=O)NO;CC(C)CC(C(=O)NO)N","InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1","","1999-07-08","2011-06-04","N-hydroxy-L-leucinamide",""],["LNP","(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol","C33 H54 O","OC5C(C1C(C3C(=CC1)C4(C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4)(C)CC5)(C)C;CC(C)CCC[CH](C)[CH]1CC[C]2(C=C3CC3)C4=CC[CH]5C(C)(C)[CH](O)CC[C]5(C)[CH]4CC[C]12C;CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C=C5CC5","InChI=1S/C33H54O/c1-22(2)9-8-10-23(3)25-16-20-33(21-24-11-12-24)27-13-14-28-30(4,5)29(34)17-18-31(28,6)26(27)15-19-32(25,33)7/h13,21-23,25-26,28-29,34H,8-12,14-20H2,1-7H3/t23-,25-,26-,28-,29+,31-,32-,33-/m1/s1","","2010-11-03","2011-11-25","(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol",""],["A00","N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide","C33 H44 N4 O6 S","O=S(=O)(c1ccc(N)cc1)N(C(CCCCNC(=O)C(NC(=O)OC)C(c2ccccc2)c3ccccc3)CO)CC(C)C;COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)NCCCC[CH](CO)N(CC(C)C)[S](=O)(=O)c3ccc(N)cc3;CC(C)CN(C(CCCCNC(=O)C(C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N","InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1","","2007-08-10","2011-06-04","N-[(5S)-5-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide",""],["A01","[(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON","C10 H15 B N O6","COc1cccc(OC)c1C(=O)NC[B-](O)(O)O;[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O","InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1","","2010-12-15","2024-09-27","[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron",""],["LNQ","3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE","C14 H24 N2 O5","O=C1C(N)=C(NCCCOCCOCCOCCC)C1=O;CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O;CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N","InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3","","2002-05-09","2011-06-04","3-amino-4-({3-[2-(2-propoxyethoxy)ethoxy]propyl}amino)cyclobut-3-ene-1,2-dione",""],["LNR","L-NOREPINEPHRINE","C8 H11 N O3","Oc1ccc(cc1O)C(O)CN;NC[CH](O)c1ccc(O)c(O)c1;c1cc(c(cc1C(CN)O)O)O","InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1","NORADRENALINE","2001-03-28","2024-09-27","4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol",""],["A02","(10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide","C40 H70 N18 O9","O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCN)CCCNC(=[N@H])N)CCCNC(=[N@H])N;NCCCC[CH](NC(=O)CCCCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)NCCCCCC(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](CCCNC(N)=N)C(N)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)O)O)N","InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1","ARC-1012","2010-05-27","2021-03-01","(10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)",""],["LNS","6-(methylcarbamoyl)pyridine-2-carboxylic acid","C8 H8 N2 O3","OC(=O)c1cccc(n1)C(=O)NC;CNC(=O)c1cccc(n1)C(O)=O;CNC(=O)c1cccc(n1)C(=O)O","InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)","","2022-03-04","2022-03-11","6-(methylcarbamoyl)pyridine-2-carboxylic acid","2022-03-16"],["A03","(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido\npropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide","C37 H63 N17 O9","O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N;C[CH](NC(=O)CCCCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)NCCCCCC(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](CCCNC(N)=N)C(N)=O;CC(C(=O)NCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)CCCCCNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1","ARC-1039","2010-05-27","2020-06-17","(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)",""],["A04","5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID","C12 H7 F3 O4","O=C(O)c2oc(c1c(OC(F)(F)F)cccc1)cc2;OC(=O)c1oc(cc1)c2ccccc2OC(F)(F)F;c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F","InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17)","","2007-06-26","2011-06-04","5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid",""],["LNT","N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine","C10 H22 N2 O5","O=C(O)C(NC(O)(O)C(N)CC(C)C)C(O)C;CC(C)C[CH](N)C(O)(O)N[CH]([CH](C)O)C(O)=O;CC(C)CC(C(NC(C(C)O)C(=O)O)(O)O)N","InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1","","2007-11-07","2024-09-27","N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine",""],["LNU","ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","C22 H24 N2 O5","CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4;CCOC(=O)c1cc2c(n1Cc3cc(cc(c3)OC)OC)-c4c(cno4)CCC2","InChI=1S/C22H24N2O5/c1-4-28-22(25)19-10-15-6-5-7-16-12-23-29-21(16)20(15)24(19)13-14-8-17(26-2)11-18(9-14)27-3/h8-12H,4-7,13H2,1-3H3","","2022-07-07","2022-11-04","ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","2022-11-09"],["A05","5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID","C11 H6 Cl N O5","O=C(O)c2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2;OC(=O)c1oc(cc1)c2ccc(cc2Cl)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O","InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)","","2007-06-26","2011-06-04","5-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid",""],["LNV","5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid","C13 H22 N4 O7","O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N;CO[CH]([CH](O)CO)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC(=N)N","InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;\nLaninamivir","2011-09-01","2020-07-17","5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid",""],["A06","(3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid","C17 H14 Cl2 N2 O2","OC(=O)CC(Cc1[nH]c2ccc(Cl)cc2n1)c3ccc(Cl)cc3;c1cc(ccc1C(Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl","InChI=1S/C17H14Cl2N2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23)","","2011-09-08","2023-09-23","(3~{R})-4-(5-chloranyl-1~{H}-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid",""],["LNW","2,2'-biphenyl-3,5-diyldiacetic acid","C16 H14 O4","C(C(O)=O)c1cc(CC(=O)O)cc(c1)c2ccccc2;OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2;c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O","InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20)","","2016-01-21","2016-03-25","2,2'-biphenyl-3,5-diyldiacetic acid","2016-03-30"],["A07","N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide","C17 H16 Cl N3 O","CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)c3ccccc3;CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3","InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)","","2010-01-22","2011-06-04","N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide",""],["A08","(2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile","C13 H8 Cl2 N2","Clc1nc(ccc1)C(C#N)c2ccc(Cl)cc2;Clc1ccc(cc1)[CH](C#N)c2cccc(Cl)n2;c1cc(nc(c1)Cl)C(C#N)c2ccc(cc2)Cl","InChI=1S/C13H8Cl2N2/c14-10-6-4-9(5-7-10)11(8-16)12-2-1-3-13(15)17-12/h1-7,11H/t11-/m0/s1","","2013-04-11","2014-06-13","(2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile","2014-06-18"],["LNX","2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid","C14 H12 O4 S","C(C(O)=O)c1cc(cc(c1)c2cccs2)CC(=O)O;OC(=O)Cc1cc(CC(O)=O)cc(c1)c2sccc2;c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O","InChI=1S/C14H12O4S/c15-13(16)7-9-4-10(8-14(17)18)6-11(5-9)12-2-1-3-19-12/h1-6H,7-8H2,(H,15,16)(H,17,18)","","2016-01-21","2016-03-25","2,2'-[5-(thiophen-2-yl)benzene-1,3-diyl]diacetic acid","2016-03-30"],["A09","N-hydroxybenzenesulfonamide","C6 H7 N O3 S","O=S(=O)(NO)c1ccccc1;ON[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)NO","InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H","","2011-08-02","2012-06-15","N-hydroxybenzenesulfonamide",""],["LNY","2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid","C17 H14 O5 S","C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)CC(O)=O;OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2;c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O","InChI=1S/C17H14O5S/c18-5-1-2-14-3-4-15(23-14)13-7-11(9-16(19)20)6-12(8-13)10-17(21)22/h3-4,6-8,18H,5,9-10H2,(H,19,20)(H,21,22)","","2016-01-21","2016-03-25","2,2'-{5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]benzene-1,3-diyl}diacetic acid","2016-03-30"],["A0A","(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID","C5 H7 N O5","O=C(OC=O)CC(C(=O)O)N;N[CH](CC(=O)OC=O)C(O)=O;C(C(C(=O)O)N)C(=O)OC=O","InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1","","2007-12-11","2024-09-27","(2S)-2-amino-4-(formyloxy)-4-oxobutanoic acid (non-preferred name)",""],["LNZ","5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide","C17 H17 N O5 S2","c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2ccc(s2)C#CCO)OC;COc1cc(C)c(cc1c2sc(cc2)C#CCO)C(=O)N[S](C)(=O)=O;Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC","InChI=1S/C17H17NO5S2/c1-11-9-15(23-2)14(10-13(11)17(20)18-25(3,21)22)16-7-6-12(24-16)5-4-8-19/h6-7,9-10,19H,8H2,1-3H3,(H,18,20)","","2016-01-21","2016-03-25","5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide","2016-03-30"],["A0B","Phloxine B","C20 H3 Br4 Cl4 O5","OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br;c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br","InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-1","Cyanosine","2017-08-08","2020-06-17","2,4,5,7-tetrakis(bromanyl)-9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-oxidanylidene-xanthen-3-olate","2018-03-07"],["LO0","N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide","C15 H16 N2 O4","O=C(NCCOc1ccccc1OC)C1=CC=NC(=O)C1;COc1ccccc1OCCNC(=O)C2=CC=NC(=O)C2;COc1ccccc1OCCNC(=O)C2=CC=NC(=O)C2","InChI=1S/C15H16N2O4/c1-20-12-4-2-3-5-13(12)21-9-8-17-15(19)11-6-7-16-14(18)10-11/h2-7H,8-10H2,1H3,(H,17,19)","","2023-08-15","2023-11-03","N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide","2023-11-08"],["LO1","[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,","C9 H10 N2 O3","O=C(Nc1ccc(cc1)CN)C(=O)O;NCc1ccc(NC(=O)C(O)=O)cc1;c1cc(ccc1CN)NC(=O)C(=O)O","InChI=1S/C9H10N2O3/c10-5-6-1-3-7(4-2-6)11-8(12)9(13)14/h1-4H,5,10H2,(H,11,12)(H,13,14)","","2004-10-28","2011-06-04","{[4-(aminomethyl)phenyl]amino}(oxo)acetic acid",""],["A0C","5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide","C11 H12 N4 O2 S","O=C(c1noc(c1)CSc2nc(cc(n2)C)C)N;Cc1cc(C)nc(SCc2onc(c2)C(N)=O)n1;Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C","InChI=1S/C11H12N4O2S/c1-6-3-7(2)14-11(13-6)18-5-8-4-9(10(12)16)15-17-8/h3-4H,5H2,1-2H3,(H2,12,16)","","2014-08-05","2015-09-25","5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,2-oxazole-3-carboxamide","2015-09-30"],["LO2","2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol","C22 H24 Cl F6 N O3","Clc1cc(cc(OC)c1OC)CN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CCCC;CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F;CCCCN(Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3","2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol","2008-11-21","2021-03-13","2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol",""],["A0D","N-adamantan-2-yl-1-ethyl-D-prolinamide","C17 H28 N2 O","O=C(NC3C1CC2CC(C1)CC3C2)C4N(CC)CCC4;CCN1CCC[CH]1C(=O)NC2C3CC4CC(C3)CC2C4;CCN1CCCC1C(=O)NC2C3CC4CC(C3)CC2C4","InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11-,12+,13-,14+,15-,16-/m1/s1","PF-877423; (1S,2R)-N-(2-adamantyl)-1-ethyl-pyrrolidine-2-carboxamide","2011-04-19","2020-05-26","1-ethyl-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]-D-prolinamide",""],["LO3","(1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one","C42 H70 O12","O=C3OC(C(C)C(OC)CC(OC)C1(OC1)C(OC)CC2OC(C=CC2)CC(OC)C(O)C=C(C=C3)C)C(C)C(O)C(CCC4OC(CC(OC)C4)C)C;CO[CH]1C[CH](C)O[CH](CC[CH](C)[CH](O)[CH](C)[CH]2OC(=O)C=CC(=C[CH](O)[CH](C[CH]3O[CH](CC=C3)C[CH](OC)[C]4(CO4)[CH](C[CH](OC)[CH]2C)OC)OC)C)C1;CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(C3(CO3)C(CC4CC=CC(O4)CC(C(C=C(C=CC(=O)O2)C)O)OC)OC)OC)OC)C)O)OC","InChI=1S/C42H70O12/c1-25-14-17-39(44)54-41(29(5)40(45)26(2)15-16-32-20-33(46-6)19-27(3)52-32)28(4)35(47-7)23-38(50-10)42(24-51-42)37(49-9)22-31-13-11-12-30(53-31)21-36(48-8)34(43)18-25/h11-12,14,17-18,26-38,40-41,43,45H,13,15-16,19-24H2,1-10H3/b17-14+,25-18+/t26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,40-,41-,42-/m0/s1","","2010-03-17","2011-06-04","(1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-4-methylhexan-2-yl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one",""],["A0E","methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate","C27 H30 F N7 O3","Fc1cc(c(OC)cc1)N1CCN(CC1)c1ncnc2c1cnn2c1ccccc1CNCCC(=O)OC;COC(=O)CCNCc1ccccc1n2ncc3c(ncnc23)N4CCN(CC4)c5cc(F)ccc5OC;COc1ccc(cc1N2CCN(CC2)c3c4cnn(c4ncn3)c5ccccc5CNCCC(=O)OC)F","InChI=1S/C27H30FN7O3/c1-37-24-8-7-20(28)15-23(24)33-11-13-34(14-12-33)26-21-17-32-35(27(21)31-18-30-26)22-6-4-3-5-19(22)16-29-10-9-25(36)38-2/h3-8,15,17-18,29H,9-14,16H2,1-2H3","","2021-11-03","2022-05-13","methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate","2022-05-18"],["LO4","Ciglitazone","C18 H23 N O3 S","c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O;CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3=O)cc2;CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O","InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21)","5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione","2019-03-06","2020-06-17","5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione","2019-11-06"],["A0F","N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","C22 H16 F3 N3 O S","FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(Oc4ccccc4)cc3)ccn1;c1ccc(cc1)Oc2ccc(cc2)c3ncc(s3)CNc4ccnc(c4)C(F)(F)F","InChI=1S/C22H16F3N3OS/c23-22(24,25)20-12-16(10-11-26-20)27-13-19-14-28-21(30-19)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,26,27)","N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine","2021-11-23","2022-11-18","~{N}-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","2022-11-23"],["LO5","1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine","C13 H17 N O3","C1CO[CH](C1)CNCc2ccc3OCOc3c2;c1cc2c(cc1CNCC3CCCO3)OCO2","InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1","","2019-08-28","2019-09-27","1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine","2019-10-02"],["A0G","(2Z)-2-amino-3-hydroxyprop-2-enoic acid","C3 H5 N O3","C(=O)(/C(N)=C/O)O;NC(=CO)C(O)=O;C(=C(C(=O)O)N)O","InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1,5H,4H2,(H,6,7)/b2-1-","","2017-06-30","2024-09-27","(2Z)-2-amino-3-hydroxyprop-2-enoic acid","2019-09-18"],["A0H","N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide","C24 H25 Cl N6 O3 S","O=S(=O)(NCc1cccc(c1)c3nc(c2ncc(Cl)n2c3)Nc5ccc(N4CCOCC4)cc5)C;C[S](=O)(=O)NCc1cccc(c1)c2cn3c(Cl)cnc3c(Nc4ccc(cc4)N5CCOCC5)n2;CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl","InChI=1S/C24H25ClN6O3S/c1-35(32,33)27-14-17-3-2-4-18(13-17)21-16-31-22(25)15-26-24(31)23(29-21)28-19-5-7-20(8-6-19)30-9-11-34-12-10-30/h2-8,13,15-16,27H,9-12,14H2,1H3,(H,28,29)","","2010-08-03","2011-06-04","N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide",""],["LO6","2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one","C9 H15 F2 N O3","O=C(COC(F)F)N1CC(C)OC(C)C1;C[CH]1CN(C[CH](C)O1)C(=O)COC(F)F;CC1CN(CC(O1)C)C(=O)COC(F)F","InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+","","2022-03-04","2022-03-11","2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one","2022-03-16"],["A0I","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid","C9 H17 N4 O13 P3","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O","InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(16)11-5)8-7(15)6(14)4(25-8)3-24-27(17,18)12-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H2,10,11,16)(H2,21,22,23)(H3,12,17,18,19,20)/t4-,6-,7-,8-/m1/s1","","2023-07-17","2023-12-22","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid","2023-12-27"],["LO7","Mitoglitazone","C19 H18 N2 O4 S","c2(OCC(c1ccc(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O;CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2;CCc1ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3","InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m0/s1","(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione","2019-03-06","2021-03-13","(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione","2019-11-06"],["LO8","(2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide","C16 H23 N3 O2","C[C]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3;CC1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3","InChI=1S/C16H23N3O2/c1-16(12-19(8-7-18-16)14-10-21-11-14)15(20)17-9-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,20)/t16-/m0/s1","","2019-08-29","2019-09-06","(2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide","2019-09-11"],["A0J","3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE","C20 H19 N3 O","Cn1cc(cn1)c2ccc3NC(=O)[C](C)(Cc4ccccc4)c3c2;CC1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4","InChI=1S/C20H19N3O/c1-20(11-14-6-4-3-5-7-14)17-10-15(16-12-21-23(2)13-16)8-9-18(17)22-19(20)24/h3-10,12-13H,11H2,1-2H3,(H,22,24)/t20-/m1/s1","","2015-03-08","2015-05-08","(3R)-3-methyl-5-(1-methylpyrazol-4-yl)-3-(phenylmethyl)-1H-indol-2-one","2015-05-13"],["LO9","7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole","C18 H16 N2 O3","COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1;COc1cc(cc(c1)OC)Cn2cc3ccc4cnoc4c3c2","InChI=1S/C18H16N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h3-8,10-11H,9H2,1-2H3","","2022-07-07","2022-11-04","7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole","2022-11-09"],["A0K","1,3-dihydroxypropan-2-yl alpha-D-glucopyranoside","C9 H18 O8","OCC(CO)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC(CO)CO)O)O)O)O","InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol;\n1,3-dihydroxypropan-2-yl alpha-D-glucoside; 1,3-dihydroxypropan-2-yl D-glucoside; 1,3-dihydroxypropan-2-yl glucoside","2017-08-08","2020-07-17","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol","2018-08-29"],["LOA","(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid","C26 H42 O4","O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)C)CC1CC2)C)CC3)CC4)C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C","InChI=1S/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1","Lithocholic acid acetate","2013-02-08","2021-03-01","(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid","2013-06-26"],["A0L","2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one","C31 H34 N6 O4","c5(CC4=C(N=C(CCCC)N(Cc3ccc(c1c(cccc1)C=2NC(=O)ON=2)cc3)C4=O)C)nc(C(C)(C)C)no5;CCCCC1=NC(=C(Cc2onc(n2)C(C)(C)C)C(=O)N1Cc3ccc(cc3)c4ccccc4C5=NOC(=O)N5)C;CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C","InChI=1S/C31H34N6O4/c1-6-7-12-25-32-19(2)24(17-26-33-29(36-40-26)31(3,4)5)28(38)37(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27-34-30(39)41-35-27/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,34,35,39)","","2018-09-11","2019-09-06","2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one","2019-09-11"],["LOB","LOBELINE","C22 H27 N O2","O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3;CN1[CH](CCC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3;CN1C(CCCC1CC(=O)c2ccccc2)CC(c3ccccc3)O","InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m1/s1","2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE","2005-08-04","2020-06-17","2-{(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone",""],["A0M","ethyl 5-methyl-4-oxidanylidene-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2-carboxylate","C25 H22 N2 O6","CCOC(=O)C1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O;CCOC(=O)C1=Nc2ccc(c(c2C(=O)N1c3ccccc3)C)C(=O)C4=C(CCCC4=O)O","InChI=1S/C25H22N2O6/c1-3-33-25(32)23-26-17-13-12-16(22(30)21-18(28)10-7-11-19(21)29)14(2)20(17)24(31)27(23)15-8-5-4-6-9-15/h4-6,8-9,12-13,28H,3,7,10-11H2,1-2H3","","2022-03-14","2022-05-27","ethyl 5-methyl-4-oxidanylidene-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2-carboxylate","2022-06-01"],["LOC","N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide","C22 H25 N O6","O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)C;COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O;CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1","COLCHICINE","2008-08-12","2021-03-01","N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide",""],["A0O","7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one","C15 H16 O3","COc1ccc2C=CC(=O)Oc2c1CC=C(C)C;CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C","InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3","","2018-09-12","2020-02-07","7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one","2020-02-12"],["LOD","(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid","C23 H24 Cl N O3","c5c(Cl)cc4CCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5;OC(=O)c1ccc2OC[C]3(CCc4cc(Cl)ccc34)CN(CC5CCC5)c2c1;c1cc2c(cc1C(=O)O)N(CC3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5","InChI=1S/C23H24ClNO3/c24-18-5-6-19-16(10-18)8-9-23(19)13-25(12-15-2-1-3-15)20-11-17(22(26)27)4-7-21(20)28-14-23/h4-7,10-11,15H,1-3,8-9,12-14H2,(H,26,27)/t23-/m0/s1","","2019-03-07","2019-05-10","(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid","2019-05-15"],["A0P","9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-9H-purin-6-amine","C10 H17 N6 O12 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N","InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7+,10+/m0/s1","","2010-02-03","2013-07-05","[[[[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid","2013-07-10"],["A0Q","5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide","C24 H26 N4 O2","CN1CCN(CC1)c2ccc(OCc3ccccc3)c(c2)C(=O)Nc4cccnc4;CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4","InChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)","","2017-08-09","2017-10-20","5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide","2017-10-25"],["LOE","1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine","C14 H25 N O2","C1CCN(CC1)C[CH]2COC3(CCCCC3)O2;C1CCC2(CC1)OCC(O2)CN3CCCCC3","InChI=1S/C14H25NO2/c1-3-7-14(8-4-1)16-12-13(17-14)11-15-9-5-2-6-10-15/h13H,1-12H2/t13-/m0/s1","","2019-08-29","2019-09-27","1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine","2019-10-02"],["A0R","2',4'-dihydroxy-2-methoxychalcone","C16 H14 O4","COc1ccccc1C=CC(=O)c2ccc(O)cc2O;COc1ccccc1C=CC(=O)c2ccc(cc2O)O","InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+","","2018-09-12","2019-06-07","(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one","2019-06-12"],["LOF","3-PHENYL-LACTIC ACID","C9 H10 O3","O=C(O)C(O)Cc1ccccc1;O[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)O","InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H","","1999-07-08","2008-10-14","(2S)-2-hydroxy-3-phenylpropanoic acid",""],["LOG","N-acetylglucosaminono-1,5-lactone (Z)-oxime","C8 H14 N2 O6","O=C(NC1C(=NO)OC(CO)C(O)C1O)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO;CC(=O)NC1C(C(C(OC1=NO)CO)O)O","InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1","LOGNAC","2010-07-22","2020-07-17","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred\nname)",""],["A0S","(5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one","C21 H16 Br F N2 O3","c14c(C(N(CC(=O)N1)C(c2ccc(Br)o2)=O)c3ccc(cc3)F)cc(cc4)C;Cc1ccc2NC(=O)CN([CH](c3ccc(F)cc3)c2c1)C(=O)c4oc(Br)cc4;Cc1ccc2c(c1)C(N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F","InChI=1S/C21H16BrFN2O3/c1-12-2-7-16-15(10-12)20(13-3-5-14(23)6-4-13)25(11-19(26)24-16)21(27)17-8-9-18(22)28-17/h2-10,20H,11H2,1H3,(H,24,26)/t20-/m1/s1","","2017-07-05","2017-07-28","(5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one","2017-08-02"],["A0T","[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone","C19 H21 F4 N5 O3","CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N3CCOCC3)ncc1C(F)(F)F;CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F","InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)","","2017-08-09","2017-10-20","[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone","2017-10-25"],["LOH","3,4-dihydroxylysine","C6 H14 N2 O4","NCC[CH](O)[CH](O)[CH](N)C(O)=O;C(CN)C(C(C(C(=O)O)N)O)O","InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5+/m0/s1","","2017-09-08","2026-04-20","(2~{S},3~{S},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid","2018-06-27"],["A0U","~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate","C16 H24 N4 O3","CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N;CC(C)(C)OC(=O)NN(CC(=O)N(C)Cc1ccccc1)C=N","InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,22)/b17-12+","","2021-11-23","2024-09-27","~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate","2022-01-26"],["LOI","2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide","C15 H16 N6 O S2","O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC;CNc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3;Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C","InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)","","2009-03-23","2011-06-04","2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",""],["LOJ","(3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid","C21 H21 Cl2 N O3","c4c(c(C1COc3ccc(cc3N(C1)CC2CCC2)C(O)=O)ccc4Cl)Cl;OC(=O)c1ccc2OC[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl;c1cc2c(cc1C(=O)O)N(CC(CO2)c3ccc(cc3Cl)Cl)CC4CCC4","InChI=1S/C21H21Cl2NO3/c22-16-5-6-17(18(23)9-16)15-11-24(10-13-2-1-3-13)19-8-14(21(25)26)4-7-20(19)27-12-15/h4-9,13,15H,1-3,10-12H2,(H,25,26)/t15-/m0/s1","","2019-03-07","2019-05-10","(3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid","2019-05-15"],["A0V","1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid","C4 H7 B N3 O7 P","C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O;OB(Cn1cc(nn1)C(O)=O)O[P](O)(O)=O;B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O","InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14)","","2017-07-05","2024-09-27","1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid","2017-12-06"],["LOK","methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate","C10 H12 N2 O4","COC(=O)Nc1cccc(NC(=O)OC)c1;COC(=O)Nc1cccc(c1)NC(=O)OC","InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)","","2019-08-29","2019-09-27","methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate","2019-10-02"],["A0W","2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid","C19 H27 N3 O6","OC(=O)CNC(=O)C1=C(O)N(C2CCCCC2)C(=O)N(C3CCCCC3)C1=O;C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O","InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)","","2017-08-09","2017-10-13","2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid","2017-10-18"],["LOL","(2S)-2-amino-4-methylpentane-1,1-diol","C6 H15 N O2","OC(O)C(N)CC(C)C;CC(C)C[CH](N)C(O)O;CC(C)CC(C(O)O)N","InChI=1S/C6H15NO2/c1-4(2)3-5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t5-/m0/s1","","1999-07-08","2011-08-06","(2S)-2-amino-4-methylpentane-1,1-diol",""],["A0X","4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide","C35 H32 F3 N7 O3","Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F;Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3cc4cc(c3C)C#Cc5cnc6n5nc(cc6)C(=O)NCCCCCCCO4)C(F)(F)F","InChI=1S/C35H32F3N7O3/c1-22-20-44(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-33(46)30-18-29-14-24(23(30)2)8-9-27-19-40-32-11-10-31(43-45(27)32)34(47)39-12-6-4-3-5-7-13-48-29/h10-11,14-21H,3-7,12-13H2,1-2H3,(H,39,47)(H,42,46)","","2023-05-10","2023-09-15","","2023-09-20"],["LOM","THIAZOLE","C3 H3 N S","n1ccsc1;s1ccnc1;c1cscn1","InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H","","1999-07-08","2011-06-04","1,3-thiazole",""],["A0Y","phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid","C9 H10 B F3 N5 O7 P S","OB(CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)O[P](O)(O)=O;B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O","InChI=1S/C9H10BF3N5O7PS/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)27(23,24)14-4-10(19)25-26(20,21)22/h1-3,14,19H,4H2,(H2,20,21,22)(H,15,16,17,18)","","2017-07-05","2024-09-27","phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid","2017-12-06"],["LON","(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one","C21 H25 N O5","CN[CH]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13;CNC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1","","2017-05-18","2018-06-29","(7~{S})-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5~{H}-benzo[a]heptalen-9-one","2018-07-04"],["A0Z","8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid","C15 H16 I4 N2 O2","OC(=O)CCCCCCCn1cnc2c(I)c(I)c(I)c(I)c12;c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I","InChI=1S/C15H16I4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)","","2017-08-09","2024-09-27","8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid","2020-01-29"],["LOO","2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid","C23 H23 F3 N2 O5","Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F)cc(C)c1OC(C)(C)C(O)=O;Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C23H23F3N2O5/c1-13-9-15(10-14(2)19(13)33-22(3,4)20(30)31)11-28-18(29)12-27(21(28)32)17-7-5-16(6-8-17)23(24,25)26/h5-10H,11-12H2,1-4H3,(H,30,31)","","2022-12-01","2023-09-01","2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid","2023-09-06"],["A11","ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE","C13 H18 Cl N3 O2","O=C(OCC)N2CCC(Nc1nccc(Cl)c1)CC2;CCOC(=O)N1CCC(CC1)Nc2cc(Cl)ccn2;CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl","InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)","","2005-11-01","2011-06-04","ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate",""],["A12","PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER","C11 H17 N5 O9 P2","O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N","InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE","2000-12-15","2020-06-17","5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]adenosine",""],["LOP","(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE","C35 H68 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-12-10-8-6-4-2/h15-16,33H,3-14,17-32,36H2,1-2H3,(H,39,40)/b16-15-/t33-/m1/s1","LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE","2006-02-09","2021-03-01","(1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate",""],["LOQ","1-(4-methylphenyl)pyrrolidine-2,5-dione","C11 H11 N O2","Cc1ccc(cc1)N2C(=O)CCC2=O;Cc1ccc(cc1)N2C(=O)CCC2=O","InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3","","2019-08-30","2019-09-27","1-(4-methylphenyl)pyrrolidine-2,5-dione","2019-10-02"],["A13","4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE","C6 H6 F3 N3","FC(F)(F)c1nc(nc(c1)C)N;Cc1cc(nc(N)n1)C(F)(F)F;Cc1cc(nc(n1)N)C(F)(F)F","InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)","","2007-07-03","2011-06-04","4-methyl-6-(trifluoromethyl)pyrimidin-2-amine",""],["LOR","LORACABEF (Open form)","C16 H18 Cl N3 O4","O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl;N[CH](C(=O)N[CH](C=O)[CH]1CC[CH](Cl)C(=N1)C(O)=O)c2ccccc2;c1ccc(cc1)C(C(=O)NC(C=O)C2CCC(C(=N2)C(=O)O)Cl)N","InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1","(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic\nacid","2000-08-11","2024-09-27","(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid",""],["A14","(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID","C15 H22 N2 O6 S","O=C(O)C1C(SC2C(C(=O)C12)NC(=O)CCCC(C(=O)O)N)(C)C;CC1(C)S[CH]2[CH](NC(=O)CCC[CH](N)C(O)=O)C(=O)[CH]2[CH]1C(O)=O;CC1(C(C2C(S1)C(C2=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C","InChI=1S/C15H22N2O6S/c1-15(2)9(14(22)23)8-11(19)10(12(8)24-15)17-7(18)5-3-4-6(16)13(20)21/h6,8-10,12H,3-5,16H2,1-2H3,(H,17,18)(H,20,21)(H,22,23)/t6-,8-,9-,10+,12-/m0/s1","","2006-12-01","2011-06-04","(1S,4S,5S,7R)-7-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid",""],["LOS","LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II)","C23 H19 N6 Os","n1ccn(c1)[Os+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67;[Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7;c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37","InChI=1S/2C10H8N2.C3H3N2.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3","","2001-10-03","2011-08-15","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)osmium(2+)",""],["A15","3'-3\"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE","C24 H14 Cl2 O4","Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5;Oc1ccc(cc1Cl)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(Cl)c5;c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O","InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H","A156","1999-07-08","2021-03-01","3,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one",""],["A16","4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose ","C19 H35 N O13","OC3C(OC2OC(C)C(NC1CC(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]3C[CH](CO)[CH](O)[CH](O)[CH]3O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)NC3CC(C(C(C3O)O)O)CO","InChI=1S/C19H35NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h5-30H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18-,19-/m1/s1","","2008-03-26","2024-09-27","4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose",""],["LOT","6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide","C9 H9 N3 O4 S","N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O;c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O","InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16)","","2019-08-30","2019-09-27","6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide","2019-10-02"],["LOU","3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine","C13 H16 N2 O7","C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O;N[CH](C[C]12CC[CH](O1)[CH]3[CH]2C(=O)N(CC(O)=O)C3=O)C(O)=O;C1CC2(C3C(C1O2)C(=O)N(C3=O)CC(=O)O)CC(C(=O)O)N","InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1","","2019-07-01","2024-09-27","3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine","2019-10-16"],["A17","N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide","C26 H23 N3 O","O=C(NC1CC1)c5cc(c2ccc3c(c2)cnnc3c4ccccc4C)c(cc5)C;Cc1ccccc1c2nncc3cc(ccc23)c4cc(ccc4C)C(=O)NC5CC5;Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5","InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)","","2008-07-18","2011-06-04","N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide",""],["A18","5-(2-CHLOROBENZYL)-2-FUROIC ACID","C12 H9 Cl O3","Clc1ccccc1Cc2oc(cc2)C(=O)O;OC(=O)c1oc(Cc2ccccc2Cl)cc1;c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl","InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)","","2007-06-26","2011-06-04","5-(2-chlorobenzyl)furan-2-carboxylic acid",""],["LOV","5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID","C12 H25 N O3","O=C(O)C(C(C)C)CC(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C[CH](C(C)C)C(O)=O;CC(C)CC(C(CC(C(C)C)C(=O)O)O)N","InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1","","1999-07-08","2024-09-27","(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid",""],["LOW","(5~{S},7~{R})-3-azanyladamantan-1-ol","C10 H17 N O","NC12C[CH]3C[CH](C1)CC(O)(C3)C2;C1C2CC3(CC1CC(C2)(C3)O)N","InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10-","","2019-08-30","2019-09-27","(5~{S},7~{R})-3-azanyladamantan-1-ol","2019-10-02"],["A19","5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID","C13 H9 Br Cl N O4 S","Brc2cc(c(NS(=O)(=O)c1ccc(Cl)cc1)cc2)C(=O)O;OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc(Cl)cc2;c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl","InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)","","2006-03-09","2011-06-04","5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid",""],["LOX","(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol","C5 H10 N2 O4","OC1C(=NO)NCC(O)C1O;ON=C1NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(=NO)N1)O)O)O","InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1","3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME","2000-08-17","2020-07-17","(2Z,3S,4S,5R)-3,4,5-trihydroxypiperidin-2-one oxime",""],["A1A","6-AMINO HEXANOIC ACID","C33 H40 N4 O6","O=C(OC)NC(C(=O)NN(Cc1ccccc1)CC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4)C(C)C;COC(=O)N[CH](C(C)C)C(=O)NN(Cc1ccccc1)C[C](O)(Cc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34;CC(C)C(C(=O)NN(Cc1ccccc1)CC(Cc2ccccc2)(C(=O)NC3c4ccccc4CC3O)O)NC(=O)OC","InChI=1S/C33H40N4O6/c1-22(2)28(35-32(41)43-3)30(39)36-37(20-24-14-8-5-9-15-24)21-33(42,19-23-12-6-4-7-13-23)31(40)34-29-26-17-11-10-16-25(26)18-27(29)38/h4-17,22,27-29,38,42H,18-21H2,1-3H3,(H,34,40)(H,35,41)(H,36,39)/t27-,28+,29+,33+/m1/s1","","2005-04-28","2011-06-04","methyl [(1S)-1-({2-benzyl-2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]hydrazino}carbonyl)-2-methylpropyl]carbamate (non-preferred name)",""],["A1B","1-deoxy-alpha-L-xylulofuranose-1,2-borate","C5 H10 B O6","C21O[B-](OC1(OCC2O)C)(O)O;C[C]12OC[CH](O)[CH]1O[B-](O)(O)O2;[B-]1(OC2C(COC2(O1)C)O)(O)O","InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/q-1/t3-,4+,5+/m0/s1","","2015-03-14","2016-03-18","[1-deoxy-beta-L-xylulofuranosato(2-)-kappa~2~O~2~,O~3~](dihydroxy)borate(1-)","2016-03-23"],["LOY","5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine","C27 H44 N9 O11 P S2","N1C(CCC1)C(CS(=O)(=O)NCC4OC(n2cnc3c2ncnc3N)C(O)C4O)SCCNC(CCNC(C(C(COP(=O)=O)(C)C)O)=O)=O;CC(C)(CO[P](=O)=O)[CH](O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4CCCN4;CC(C)(COP(=O)=O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C4CCCN4)O","InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16-,17+,20-,21-,22+,26-/m1/s1","","2019-03-07","2020-04-03","5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine","2020-04-08"],["LOZ","5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid","C22 H24 N2 O5","O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCN;NCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc4OCOc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN","InChI=1S/C22H24N2O5/c23-9-3-6-19(25)24-17-11-13-4-1-2-5-15(13)16(17)10-14-7-8-18-21(29-12-28-18)20(14)22(26)27/h1-2,4-5,7-8,16-17H,3,6,9-12,23H2,(H,24,25)(H,26,27)/t16-,17+/m0/s1","","2013-11-25","2014-09-05","5-({(1S,2R)-2-[(4-aminobutanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid","2013-12-04"],["A1C","1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","C20 H23 Cl N2 O3 S","c1(cc(Cl)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)c(Cl)c3)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C","InChI=1S/C20H23ClN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3","","2017-05-16","2017-11-10","1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2017-11-15"],["LP0","(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid","C10 H16 B N4 O9 P S","OP(O)(=O)OB(O)CNC(C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O;CC(C)(ON=C(C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O)=O;B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)OP(=O)(O)O","InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-","","2019-07-25","2024-09-27","(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid","2020-10-21"],["A1E","(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE","C32 H44 N4 O","O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4;O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCNc3c4CCCCc4nc5ccccc35;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O)N5","InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1","(R)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE;\n(R)-TACRINE(10)-HUPYRIDONE","2005-04-29","2020-06-17","(5R)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one",""],["LP1","4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE","C45 H58 N6 O7","O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4;CC[CH](NC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[CH](Cc3cccc4ccccc34)C(N)=O;CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cccc4c3cccc4)NC(=O)C)O","InChI=1S/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1","","1999-07-08","2011-06-04","(4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name)",""],["A1F","1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","C20 H23 F N2 O3 S","c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3F)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C","InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3","AMF1alpha","2017-05-15","2021-03-01","1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2017-11-15"],["LP2","N2-[[[3-NAPHTYL-N-METHYLCARBONYL-ALANINYL-VALINYL]-AMINO-[1-[2-METHYL-PROPANYL]-2-HYDROXY-PROPAN-3-YL]-CARBONYL]-3-METHYL-ALANYL]-3-NAPHTYL-ALANYL-AMINE","C45 H58 N6 O7","O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4;CC[CH](NC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[CH](Cc3cccc4ccccc34)C(N)=O;CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cccc4c3cccc4)NC(=O)C)O","InChI=1/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1/f/h47-51H,46H2","","1999-07-08","2008-10-14","(4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name)",""],["A1G","(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid","C12 H19 N O2","O=C(O)C(C13CC2CC(C1)CC(C2)C3)N;N[CH](C(O)=O)C12CC3CC(CC(C3)C1)C2;C1C2CC3CC1CC(C2)(C3)C(C(=O)O)N","InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1","","2016-04-28","2024-09-27","(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid","2017-05-10"],["LP3","(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE","C26 H55 N O7 P","O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1","","2005-08-10","2011-06-04","(4R,7R)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide",""],["A1H","2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one","C13 H14 N8 O2","O=C1N(NC=C1n2ccnn2)c3cc(ncn3)N4CCOCC4;c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4","InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2","","2017-08-09","2017-10-13","2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one","2017-10-18"],["LP4","2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose","C34 H66 N O12 P","O=P(O)(O)OC1C(OC(O)C(NC(=O)CC(O)CCCCCCCCCCC)C1OC(=O)CC(O)CCCCCCCCCCC)CO;CCCCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC;CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1O)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O)O","InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(47-48(42,43)44)28(25-36)45-34(31)41)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,31-,32-,33-,34-/m1/s1","","2006-12-26","2013-01-08","2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose",""],["A1I","N-(cyclopent-3-ene-1-carbonyl)-L-histidine","C12 H15 N3 O3","O=C(O)C(NC(=O)C1CC=CC1)Cc1c[NH]cn1;OC(=O)[CH](Cc1c[nH]cn1)NC(=O)C2CC=CC2;c1c(nc[nH]1)CC(C(=O)O)NC(=O)C2CC=CC2","InChI=1S/C12H15N3O3/c16-11(8-3-1-2-4-8)15-10(12(17)18)5-9-6-13-7-14-9/h1-2,6-8,10H,3-5H2,(H,13,14)(H,15,16)(H,17,18)/t10-/m0/s1","","2021-11-04","2021-11-26","N-(cyclopent-3-ene-1-carbonyl)-L-histidine","2021-12-01"],["A1J","3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid","C9 H13 B N O9 P S","c1ccc(CS(=O)(NCB(OP(O)(O)=O)O)=O)cc1C(O)=O;OB(CN[S](=O)(=O)Cc1cccc(c1)C(O)=O)O[P](O)(O)=O;B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O","InChI=1S/C9H13BNO9PS/c12-9(13)8-3-1-2-7(4-8)5-22(18,19)11-6-10(14)20-21(15,16)17/h1-4,11,14H,5-6H2,(H,12,13)(H2,15,16,17)","","2017-07-05","2024-09-27","3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid","2017-12-06"],["LP5","(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE","C34 H66 N O12 P","O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)CC(O)CCCCCCCCCCC)CO)(O)O;CCCCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO)[CH](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P](O)(O)=O;CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O","InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,31-,32-,33-,34-/m1/s1","","2006-12-26","2011-06-04","2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose",""],["LP6","6-piperidin-1-yl-L-norleucine","C11 H22 N2 O2","O=C(O)C(N)CCCCN1CCCCC1;N[CH](CCCCN1CCCCC1)C(O)=O;C1CCN(CC1)CCCCC(C(=O)O)N","InChI=1S/C11H22N2O2/c12-10(11(14)15)6-2-5-9-13-7-3-1-4-8-13/h10H,1-9,12H2,(H,14,15)/t10-/m0/s1","","2009-01-06","2024-09-27","6-piperidin-1-yl-L-norleucine",""],["A1K","[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone","C19 H21 Cl N6 O3","CNc1nc(Nc2ccc(cc2OC)C(=O)N3CCOCC3)nc4[nH]cc(Cl)c14;CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl","InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)","","2017-08-09","2017-10-20","[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone","2017-10-25"],["LP7","ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate","C11 H12 N2 O5","CCOC(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O;CCOC(=O)C1C(c2cccnc2N(C1=O)O)O","InChI=1S/C11H12N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,7-8,14,17H,2H2,1H3/t7-,8-/m0/s1","","2010-02-10","2011-06-04","ethyl (3S)-1,4-dihydroxy-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxylate",""],["A1L","[2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide","C24 H31 N9 O3","N#[N+][N-]CC(=O)NC(C(=O)N(Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])NC(=O)NC;CNC(=O)NC(=N)NCCC[CH](NC(=O)C[N-][N+]#N)C(=O)N(Cc1ccccc1)Cc2ccccc2;CNC(=O)NC(=N)NCCCC(C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N","InChI=1S/C24H31N9O3/c1-27-24(36)31-23(25)28-14-8-13-20(30-21(34)15-29-32-26)22(35)33(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,34)(H4,25,27,28,31,36)/t20-/m0/s1","","2013-06-25","2013-09-13","N~2~-(azidoacetyl)-N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithinamide","2013-09-18"],["LP8","3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one","C13 H14 N2 O3","ON1C(=O)C(=C(O)c2cccnc12)C3CCCC3;c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O","InChI=1S/C13H14N2O3/c16-11-9-6-3-7-14-12(9)15(18)13(17)10(11)8-4-1-2-5-8/h3,6-8,16,18H,1-2,4-5H2","","2010-02-10","2011-06-04","3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2-one",""],["A1M","phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid","C8 H11 B N5 O7 P S","OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O;B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O","InChI=1S/C8H11BN5O7PS/c15-9(21-22(16,17)18)5-10-23(19,20)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15H,5H2,(H2,16,17,18)(H,11,12,13,14)","","2017-07-05","2024-09-27","phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid","2017-12-06"],["LP9","3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium","C21 H23 N3 O6","CCOC(=O)C1=C(O)c2cc(Oc3ccc(cc3)N(CC)CC)cnc2N(O)C1=O;CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O","InChI=1S/C21H23N3O6/c1-4-23(5-2)13-7-9-14(10-8-13)30-15-11-16-18(25)17(21(27)29-6-3)20(26)24(28)19(16)22-12-15/h7-12,25,28H,4-6H2,1-3H3","","2010-02-16","2011-06-04","ethyl 6-[4-(diethylamino)phenoxy]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate",""],["A1N","(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine","C21 H25 N5 O2","C[CH]1CN(C[CH](C)O1)c2cc(ncn2)c3n[nH]c4ccc(OC5(C)CC5)cc34;CC1CN(CC(O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C","InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+","","2017-08-09","2017-10-20","(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine","2017-10-25"],["A1O","Quinabactin","C20 H24 N2 O3 S","O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccc(cc3)C;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C","InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3","1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2013-06-28","2021-03-13","1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2013-08-07"],["LPA","LIPOIC ACID","C8 H14 O2 S2","O=C(O)CCCCC1SSCC1;OC(=O)CCCC[CH]1CCSS1;C1CSSC1CCCCC(=O)O","InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1","5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid","1999-07-08","2024-09-27","5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid",""],["LPB","5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid","C8 H14 O2 S2","O=C(O)CCCCC1SSCC1;OC(=O)CCCC[CH]1CCSS1;C1CSSC1CCCCC(=O)O","InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1","","2011-09-08","2024-09-27","5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid",""],["A1P","9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-BETA-L-ERYTHRO-PENTOFURANOSYL}-9H-PURIN-2-AMINE","C10 H14 N5 O5 P","O=P(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O;Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[PH](O)=O)O3)c2n1;c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)O)O","InChI=1S/C10H14N5O5P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(20-8)3-19-21(17)18/h2,4,6-8,16,21H,1,3H2,(H,17,18)(H2,11,12,14)/t6-,7+,8+/m0/s1","","2005-11-25","2014-01-27","9-{2-deoxy-5-O-[(S)-hydroxy(oxido)phosphanyl]-beta-D-erythro-pentofuranosyl}-9H-purin-2-amine",""],["A1Q","methyl L-glycero-alpha-D-manno-heptopyranoside","C8 H16 O7","OC1C(O)C(O)C(OC1OC)C(O)CO;CO[CH]1O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)C(CO)O)O)O)O","InChI=1S/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3-,4-,5-,6-,7+,8-/m0/s1","ALPHA-METHYL HEPTOPYRANOSE; methyl L-glycero-alpha-D-manno-heptoside; methyl L-glycero-D-manno-heptoside; methyl\nL-glycero-manno-heptoside","2012-03-26","2020-07-17","methyl (5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranoside",""],["LPC","[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE","C22 H47 N O7 P","O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m1/s1","","1999-07-08","2011-06-04","(4R,7R)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",""],["LPD","L-PROLINAMIDE","C5 H10 N2 O","O=C(N)C1NCCC1;NC(=O)[CH]1CCCN1;C1CC(NC1)C(=O)N","InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1","","2006-08-24","2024-09-27","L-prolinamide",""],["A1R","5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE","C15 H24 N6 O12 P2","O=P(O)(OCC1NCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4NC[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CN4)O)O)O)O)N","InChI=1S/C15H24N6O12P2/c16-13-9-14(19-4-18-13)21(5-20-9)15-12(25)11(24)8(32-15)3-31-35(28,29)33-34(26,27)30-2-6-10(23)7(22)1-17-6/h4-8,10-12,15,17,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,16,18,19)/t6-,7+,8-,10-,11-,12-,15-/m1/s1","","2007-01-09","2011-06-04","5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["LPE","1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C26 H57 N O6 P","O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O;CCCCCCCCCCCCCCCCCCOC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O","InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1","LPC-ETHER","2002-03-29","2020-06-17","(4S,7R)-4,7-dihydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide",""],["A1S","isopentyl-Coenzyme A","C26 H46 N7 O16 P3 S","C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O)=O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O)(C)C)O)=O)=O)CC(C)C;CC(C)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H46N7O16P3S/c1-15(2)6-9-53-10-8-28-17(34)5-7-29-24(37)21(36)26(3,4)12-46-52(43,44)49-51(41,42)45-11-16-20(48-50(38,39)40)19(35)25(47-16)33-14-32-18-22(27)30-13-31-23(18)33/h13-16,19-21,25,35-36H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,41,42)(H,43,44)(H2,27,30,31)(H2,38,39,40)/t16-,19-,20-,21+,25-/m1/s1","isopentyl-CoA","2017-07-05","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2017-08-23"],["LPF","1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)","C18 H23 F3 N2 O3","FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1;CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C(=O)C(F)(F)F;CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C","InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1","","1999-07-08","2024-09-27","N~2~-acetyl-N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]-L-leucinamide",""],["A1T","5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE","C41 H49 N5 O2","O=C(N1CCCCC1)c2ccc(cc2)c3ccc(cc3)CN(C(=O)c4ncc(cc4)CCCCC)C6CCN(Cc5ncccc5)CC6;CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6;CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6","InChI=1S/C41H49N5O2/c1-2-3-5-10-32-14-21-39(43-29-32)41(48)46(38-22-27-44(28-23-38)31-37-11-6-7-24-42-37)30-33-12-15-34(16-13-33)35-17-19-36(20-18-35)40(47)45-25-8-4-9-26-45/h6-7,11-21,24,29,38H,2-5,8-10,22-23,25-28,30-31H2,1H3","","2006-10-02","2011-06-04","5-pentyl-N-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide",""],["LPG","(2S)-2-aminobut-3-ynoic acid","C4 H5 N O2","C#CC(N)C(=O)O;N[CH](C#C)C(O)=O;C#CC(C(=O)O)N","InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1","2-AMINO-BUT-3-YNOIC ACID; 2-amino-3-butynoic acid","2001-02-13","2022-02-22","(2S)-2-aminobut-3-ynoic acid",""],["A1U","3,5-dimethylpyrazin-2-ol","C6 H8 N2 O","c1c(C)nc(c(n1)O)C;Cc1cnc(O)c(C)n1;Cc1cnc(c(n1)C)O","InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)","","2018-09-13","2019-01-11","3,5-dimethylpyrazin-2-ol","2019-01-16"],["LPH","L-Propargylglycine","C5 H7 N O2","O=C(O)C(N)CC#C;N[CH](CC#C)C(O)=O;C#CCC(C(=O)O)N","InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1","(2S)-2-aminopent-4-ynoic acid","2014-10-03","2024-09-27","(2S)-2-aminopent-4-ynoic acid","2014-10-29"],["A1V","2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid)","C20 H12 N6 O4 S4","c2(nc(c1nc(CN)sc1)sc2)c3c(ccc(n3)c4nc(cs4)C(=O)O)c5scc(C(O)=O)n5;NCc1scc(n1)c2scc(n2)c3nc(ccc3c4scc(n4)C(O)=O)c5scc(n5)C(O)=O;c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O","InChI=1S/C20H12N6O4S4/c21-3-14-22-11(5-31-14)18-24-10(4-33-18)15-8(16-25-12(6-32-16)19(27)28)1-2-9(23-15)17-26-13(7-34-17)20(29)30/h1-2,4-7H,3,21H2,(H,27,28)(H,29,30)","","2017-07-05","2022-03-16","2,2'-{6-[2'-(aminomethyl)[2,4'-bi-1,3-thiazol]-4-yl]pyridine-2,5-diyl}di(1,3-thiazole-4-carboxylic acid)","2017-11-22"],["LPI","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine","C13 H21 N2 O7 P S","O=P(O)(O)OCc1cnc(c(c1CNC(CCSC)C(O)=O)O)C;CSCC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCSC)C(=O)O)O","InChI=1S/C13H21N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1","","2016-11-21","2024-09-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine","2017-10-11"],["A1W","2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one","C23 H19 Cl N2 O","O=C(CCl)N1N=C(c2ccccc2)C(C1c1ccccc1)c1ccccc1;ClCC(=O)N1N=C([CH]([CH]1c2ccccc2)c3ccccc3)c4ccccc4;c1ccc(cc1)C2C(N(N=C2c3ccccc3)C(=O)CCl)c4ccccc4","InChI=1S/C23H19ClN2O/c24-16-20(27)26-23(19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)22(25-26)18-12-6-2-7-13-18/h1-15,21,23H,16H2/t21-,23-/m0/s1","","2023-04-20","2024-09-27","2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one","2023-06-07"],["A1X","ethyl (2S)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate","C10 H20 N2 O4","O=C(N(N)CC(C)C)CC(O)C(=O)OCC;CCOC(=O)[CH](O)CC(=O)N(N)CC(C)C;CCOC(=O)C(CC(=O)N(CC(C)C)N)O","InChI=1S/C10H20N2O4/c1-4-16-10(15)8(13)5-9(14)12(11)6-7(2)3/h7-8,13H,4-6,11H2,1-3H3/t8-/m0/s1","","2009-03-16","2012-01-13","ethyl (2S)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate",""],["LPJ","FE(6)-S(7) CLUSTER","Fe6 S7","S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2;S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5","InChI=1S/6Fe.7S","","2019-03-08","2019-06-14","","2019-06-19"],["LPK","L-psicose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1","","2014-07-03","2020-06-24","L-psicose","2015-04-29"],["A1Y","4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile","C12 H15 N3 O","N2(c1c(C#N)c(C)cc(C)n1)CCOCC2;Cc1cc(C)c(C#N)c(n1)N2CCOCC2;Cc1cc(nc(c1C#N)N2CCOCC2)C","InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3","","2017-07-05","2017-09-08","4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile","2017-09-13"],["A1Z","Vadadustat","C14 H11 Cl N2 O4","OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O","InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)","GSK128863","2017-08-09","2020-06-17","2-[[5-(3-chlorophenyl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","2017-10-18"],["HMG","3-HYDROXY-3-METHYLGLUTARYL-COENZYME A","C27 H39 N7 O20 P3 S","[O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O;C[C](O)(CC([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)[O-])O)O","InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1","(S)-HMG-COA","1999-07-08","2024-09-27","(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name)",""],["HMH","4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE","C6 H9 N3 O","n1c(N)c(cnc1C)CO;Cc1ncc(CO)c(N)n1;Cc1ncc(c(n1)N)CO","InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)","","2001-09-13","2011-06-04","(4-amino-2-methylpyrimidin-5-yl)methanol",""],["A20","3-aminopropane-1-sulfonic acid","C3 H9 N O3 S","O=S(=O)(O)CCCN;NCCC[S](O)(=O)=O;C(CN)CS(=O)(=O)O","InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)","","2012-06-25","2012-10-26","3-aminopropane-1-sulfonic acid","2012-10-26"],["HMI","2-HYDROXYCARBAMOYL-4-METHYL-PENTANOIC ACID","C7 H13 N O4","O=C(NO)C(C(=O)O)CC(C)C;CC(C)C[CH](C(O)=O)C(=O)NO;CC(C)CC(C(=O)NO)C(=O)O","InChI=1S/C7H13NO4/c1-4(2)3-5(7(10)11)6(9)8-12/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid",""],["A21","(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one","C13 H12 F4 N2 O S","O=C1N=C(SC1(C)C(F)(F)F)NC(c2ccccc2F)C;C[CH](NC1=NC(=O)[C](C)(S1)C(F)(F)F)c2ccccc2F;CC(c1ccccc1F)NC2=NC(=O)C(S2)(C)C(F)(F)F","InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1","","2008-01-21","2011-06-04","(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one",""],["HMJ","2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine","C16 H17 N O2","c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3;CN(C)CCOc1ccc2oc3ccccc3c2c1;CN(C)CCOc1ccc2c(c1)c3ccccc3o2","InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3","","2018-07-12","2019-04-05","2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine","2019-04-10"],["A22","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL\n[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C20 H27 N10 O16 P3","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(OP(=O)(O)O)C6O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N","InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(37,38)46-49(39,40)42-2-8-12(32)14(45-47(34,35)36)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE","2006-10-25","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["A23","ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE","C10 H13 N5 O9 P2","O=P1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N","InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1","","1999-10-08","2011-06-04","[(2S,3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate",""],["HMK","(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL","C16 H12 O6","O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4;Oc1ccc2[CH]3Oc4cc5OCOc5cc4[C]3(O)COc2c1;c1cc2c(cc1O)OCC3(C2Oc4c3cc5c(c4)OCO5)O","InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1","","2005-04-27","2011-06-04","(6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol",""],["A24","(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE","C19 H27 N3 O10","[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC2)c3;OC[CH]1O[CH](Oc2cc(cc(c2)[N+]([O-])=O)C(=O)NCCN3CCOCC3)[CH](O)[CH](O)[CH]1O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCN3CCOCC3","InChI=1S/C19H27N3O10/c23-10-14-15(24)16(25)17(26)19(32-14)31-13-8-11(7-12(9-13)22(28)29)18(27)20-1-2-21-3-5-30-6-4-21/h7-9,14-17,19,23-26H,1-6,10H2,(H,20,27)/t14-,15+,16+,17-,19+/m1/s1","BMSC-0011","2001-08-16","2021-03-01","3-(alpha-D-galactopyranosyloxy)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide",""],["HML","1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid","C12 H9 F3 N2 O2","OC(=O)c1nccn1Cc2ccc(cc2)C(F)(F)F;c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F","InChI=1S/C12H9F3N2O2/c13-12(14,15)9-3-1-8(2-4-9)7-17-6-5-16-10(17)11(18)19/h1-6H,7H2,(H,18,19)","","2021-01-19","2022-01-14","1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid","2022-01-19"],["HMM","5-HYDROXYMETHYL-2-METHYL-5,8-DIHYDRO-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-1,3-DIONE","C8 H11 N3 O3","O=C1N(C(=O)N2N1C(C=CC2)CO)C;CN1C(=O)N2CC=C[CH](CO)N2C1=O;CN1C(=O)N2CC=CC(N2C1=O)CO","InChI=1S/C8H11N3O3/c1-9-7(13)10-4-2-3-6(5-12)11(10)8(9)14/h2-3,6,12H,4-5H2,1H3/t6-/m0/s1","","1999-10-19","2011-06-04","(5S)-5-(hydroxymethyl)-2-methyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione",""],["A25","18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE","C16 H17 Cl N4 O3","Clc3cc2c(OCCCCCOc1nc(cnc1)NC(=O)N2)cc3;Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3;c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2","InChI=1S/C16H17ClN4O3/c17-11-4-5-13-12(8-11)19-16(22)21-14-9-18-10-15(20-14)24-7-3-1-2-6-23-13/h4-5,8-10H,1-3,6-7H2,(H2,19,20,21,22)","7-CHLORO-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(22),5(10),6,8,18,20-HEXAEN-3-ONE","2007-02-01","2021-03-13","18-chloro-11,12,13,14-tetrahydro-1H,10H-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2(3H)-one",""],["HMN","2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACID","C11 H21 N O9","O=C(O)C(O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO;CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C(CC(C(=O)O)O)O)C(C(C(CO)O)O)O","InChI=1S/C11H21NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5-10,13,15-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,6+,7+,8+,9+,10+/m0/s1","","2000-07-12","2011-06-04","5-(acetylamino)-3,5-dideoxy-D-erythro-L-manno-nononic acid",""],["A26","(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide","C12 H9 F3 N2 O2","O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(O)C;CC(O)=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F;CC(=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F)O","InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-","ANTIPROLIFERATIVE AGENT A771726","1999-10-01","2021-03-01","(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide",""],["HMO","4'-HYDROXY-7-METHOXYISOFLAVONE","C16 H12 O4","O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3;COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3;COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O","InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3","ISOFORMONONETIN","2000-10-10","2020-06-17","3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one",""],["A27","N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide","C23 H21 N3 O2","CCCC(=O)Nc1n[nH]c2cc(c3ccc(O)cc3)c(cc12)c4ccccc4;CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4","InChI=1S/C23H21N3O2/c1-2-6-22(28)24-23-20-13-18(15-7-4-3-5-8-15)19(14-21(20)25-26-23)16-9-11-17(27)12-10-16/h3-5,7-14,27H,2,6H2,1H3,(H2,24,25,26,28)","","2010-01-22","2011-06-04","N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide",""],["HMP","1-HYDROXYAMINE-2-ISOBUTYLMALONIC ACID","C7 H13 N O4","O=C(NO)C(C(=O)O)CC(C)C;CC(C)C[CH](C(O)=O)C(=O)NO;CC(C)CC(C(=O)NO)C(=O)O","InChI=1/C7H13NO4/c1-4(2)3-5(7(10)11)6(9)8-12/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1/f/h8,10H","","1999-07-08","2008-10-14","(2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid",""],["A28","N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide","C17 H15 F2 N3 O","CCCC(=O)Nc1n[nH]c2c(F)c(F)c(cc12)c3ccccc3;CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3","InChI=1S/C17H15F2N3O/c1-2-6-13(23)20-17-12-9-11(10-7-4-3-5-8-10)14(18)15(19)16(12)21-22-17/h3-5,7-9H,2,6H2,1H3,(H2,20,21,22,23)","","2010-01-22","2011-06-04","N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide",""],["HMQ","2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid","C8 H8 O6","O=C(O)CC1=CC(=O)C=CC1(O)OO;OO[C]1(O)C=CC(=O)C=C1CC(O)=O;C1=CC(C(=CC1=O)CC(=O)O)(O)OO","InChI=1S/C8H8O6/c9-6-1-2-8(12,14-13)5(3-6)4-7(10)11/h1-3,12-13H,4H2,(H,10,11)/t8-/m1/s1","","2012-12-04","2014-09-05","[(6R)-6-hydroperoxy-6-hydroxy-3-oxocyclohexa-1,4-dien-1-yl]acetic acid","2013-07-24"],["5A6","(2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid","C11 H20 N4 O3","O=C(C(N)CCc1nnc(CCCCCN)o1)O;NCCCCCc1oc(CC[CH](N)C(O)=O)nn1;C(CCc1nnc(o1)CCC(C(=O)O)N)CCN","InChI=1S/C11H20N4O3/c12-7-3-1-2-4-9-14-15-10(18-9)6-5-8(13)11(16)17/h8H,1-7,12-13H2,(H,16,17)/t8-/m0/s1","","2015-08-28","2016-02-05","(2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid","2016-02-10"],["5A7","{(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid","C23 H19 N2 O4 P","O=P(O)([C@H]=[C@H]c2ccc1cc(cc(c1n2)c3cccc4ccccc34)NC(C)=O)O;CC(=O)Nc1cc2ccc(C=C[P](O)(O)=O)nc2c(c1)c3cccc4ccccc34;CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)C=CP(=O)(O)O","InChI=1S/C23H19N2O4P/c1-15(26)24-19-13-17-9-10-18(11-12-30(27,28)29)25-23(17)22(14-19)21-8-4-6-16-5-2-3-7-20(16)21/h2-14H,1H3,(H,24,26)(H2,27,28,29)/b12-11+","","2015-08-29","2016-07-08","{(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid","2016-07-13"],["HMR","BETA-HOMOARGININE","C7 H16 N4 O2","O=C(O)CC(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)CC(O)=O;C(CC(CC(=O)O)N)CNC(=N)N","InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1","","1999-07-08","2024-09-27","(3S)-3-amino-6-carbamimidamidohexanoic acid",""],["5A8","5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine","C22 H24 N10 O4 S","c5nc4n(C1C(C(O)C(O1)CN=[N+]=[N-])O)c(SCC(NCCc3c2c(cccc2)nc3)=O)nc4c(n5)N;Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCC(=O)NCCc4c[nH]c5ccccc45)nc12;c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3C5C(C(C(O5)CN=[N+]=[N-])O)O)N","InChI=1S/C22H24N10O4S/c23-19-16-20(28-10-27-19)32(21-18(35)17(34)14(36-21)8-29-31-24)22(30-16)37-9-15(33)25-6-5-11-7-26-13-4-2-1-3-12(11)13/h1-4,7,10,14,17-18,21,26,34-35H,5-6,8-9H2,(H,25,33)(H2,23,27,28)/t14-,17-,18-,21-/m1/s1","","2015-08-31","2016-09-09","5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine","2016-09-14"],["HMS","5-O-phosphono-L-ribulose","C5 H11 O8 P","O=P(O)(O)OCC(O)C(O)C(=O)CO;OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(=O)CO)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m0/s1","","2009-01-14","2011-06-04","5-O-phosphono-L-ribulose",""],["5A9","5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine","C20 H22 Br N9 O4 S","c13c(c(N)ncn1)nc(SCC(NCCc2cc(Br)ccc2)=O)n3C4OC(C(C4O)O)CN=[N+]=[N-];Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCC(=O)NCCc4cccc(Br)c4)nc12;c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2C4C(C(C(O4)CN=[N+]=[N-])O)O)N","InChI=1S/C20H22BrN9O4S/c21-11-3-1-2-10(6-11)4-5-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-3,6,9,12,15-16,19,32-33H,4-5,7-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1","","2015-08-31","2016-09-09","5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine","2016-09-14"],["HMT","(3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine","C29 H39 N O9","O=C(OC)CC(O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCOc2c3)C45)CCCC(O)(C)C;COC(=O)C[C](O)(CCCC(C)(C)O)C(=O)O[CH]1[CH]2c3cc4OCOc4cc3CCN5CCC[C]25C=C1OC;CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O","InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1","Homoharringtonine; Cephalotaxine; [3(R)]-4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate","2009-02-16","2020-05-27","(3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine",""],["HMU","5-HYDROXYMETHYL URACIL","C5 H6 N2 O3","O=C1C(=CNC(=O)N1)CO;OCC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)CO","InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)","5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE","2003-03-19","2021-03-13","5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione",""],["5AA","N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE","C12 H19 N6 O6 P","O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N;CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](N)[CH]3O;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)N)O","InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1","PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE","2004-12-29","2021-03-01","3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate)",""],["HMV","2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine","C16 H18 N2 O","c1c(ccc3c1c2ccccc2n3)OCCN(C)C;CN(C)CCOc1ccc2[nH]c3ccccc3c2c1;CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2","InChI=1S/C16H18N2O/c1-18(2)9-10-19-12-7-8-16-14(11-12)13-5-3-4-6-15(13)17-16/h3-8,11,17H,9-10H2,1-2H3","","2018-07-12","2019-04-05","2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine","2019-04-10"],["5AB","[(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate","C7 H17 B N O5","O=C(O)C(N)(CCCC[B-](O)(O)O)C;C[C](N)(CCCC[B-](O)(O)O)C(O)=O;[B-](CCCCC(C)(C(=O)O)N)(O)(O)O","InChI=1S/C7H17BNO5/c1-7(9,6(10)11)4-2-3-5-8(12,13)14/h12-14H,2-5,9H2,1H3,(H,10,11)/q-1/t7-/m0/s1","","2011-06-28","2011-07-15","[(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate(1-)",""],["H","ETNAM H HYDROGEN ATOM","H","[H+]","InChI=1/H2/h1H","","1999-07-08","2008-10-14","hydron",""],["5AC","5-amino-1H-imidazole-4-carboxamide","C4 H6 N4 O","O=C(N)c1ncnc1N;NC(=O)c1nc[nH]c1N;c1[nH]c(c(n1)C(=O)N)N","InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)","","2008-03-31","2011-06-04","5-amino-1H-imidazole-4-carboxamide",""],["HMW","3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C25 H23 F3 N8 O2","Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C25H23F3N8O2/c1-15-5-6-16(21(38)30-18-4-2-3-17(12-18)25(26,27)28)11-20(15)31-22-32-23(35-9-7-19(37)13-35)34-24(33-22)36-10-8-29-14-36/h2-6,8,10-12,14,19,37H,7,9,13H2,1H3,(H,30,38)(H,31,32,33,34)/t19-/m1/s1","","2018-12-14","2020-01-10","3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2020-01-15"],["5AD","5'-DEOXYADENOSINE","C10 H13 N5 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N;C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","5'-deoxyadenosine",""],["HMX","3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide","C12 H18 Cl N7 O","NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2;C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl","InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)","HMA","2018-02-15","2020-06-17","3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide","2018-12-19"],["5AE","4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one","C8 H12 N4 O5","O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N;NC1=NC(=O)N(C=N1)[CH]2O[CH](CO)[CH](O)[CH]2O;C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N","InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1","5-azacytidine","2014-05-19","2021-03-01","4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one","2014-06-25"],["HMY","(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione","C19 H22 O8","O=C3C=CCC(OC(=O)c1c(cc(OC)cc1O)C2OC2CC(O)C3O)C;COc1cc(O)c2C(=O)O[CH](C)CC=CC(=O)[CH](O)[CH](O)C[CH]3O[CH]3c2c1;CC1CC=CC(=O)C(C(CC2C(O2)c3cc(cc(c3C(=O)O1)O)OC)O)O","InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/t9-,14-,15+,17+,18+/m0/s1","Hypothemycin","2008-02-19","2024-09-27","(1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione",""],["5AF","2,5-BIS{[4-(3-PENTYL)DIAMINOMETHYL]PHENYL}FURAN","C28 H40 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC(CC)CC)c3ccc(cc3)C(N)NC(CC)CC;CCC(CC)N[CH](N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)[CH](N)NC(CC)CC;CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N","InChI=1S/C28H40N4O/c1-5-23(6-2)31-27(29)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24(7-3)8-4/h9-18,23-24,27-28,31-32H,5-8,29-30H2,1-4H3/t27-,28-/m0/s1","","2006-05-09","2011-06-04","(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-ethylpropyl)methanediamine]",""],["HMZ","4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid","C11 H12 O5","O=C(c1ccc(OC)cc1O)CCC(=O)O;COc1ccc(C(=O)CCC(O)=O)c(O)c1;COc1ccc(c(c1)O)C(=O)CCC(=O)O","InChI=1S/C11H12O5/c1-16-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)","","2011-09-28","2012-07-27","4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid",""],["5AG","5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine","C22 H23 N9 O4 S","c4nc3n(C1C(C(O)C(O1)CN=[N+]=[N-])O)c(SCC(NCCc2cc(C#C)ccc2)=O)nc3c(n4)N;Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCC(=O)NCCc4cccc(c4)C#C)nc12;C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2C4C(C(C(O4)CN=[N+]=[N-])O)O)N","InChI=1S/C22H23N9O4S/c1-2-12-4-3-5-13(8-12)6-7-25-15(32)10-36-22-29-16-19(23)26-11-27-20(16)31(22)21-18(34)17(33)14(35-21)9-28-30-24/h1,3-5,8,11,14,17-18,21,33-34H,6-7,9-10H2,(H,25,32)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1","","2015-08-31","2016-09-09","5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine","2016-09-14"],["5AH","METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE","C40 H47 N5 O6","O=C(NC2c1ccccc1CC2O)C(O)(Cc3ccccc3)CCN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc5ccc(c4ncccc4)cc5;COC(=O)N[CH](C(=O)NN(CC[C](O)(Cc1ccccc1)C(=O)N[CH]2[CH](O)Cc3ccccc23)Cc4ccc(cc4)c5ccccn5)C(C)(C)C;CC(C)(C)C(C(=O)NN(CCC(Cc1ccccc1)(C(=O)NC2c3ccccc3CC2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC","InChI=1S/C40H47N5O6/c1-39(2,3)35(43-38(49)51-4)36(47)44-45(26-28-17-19-29(20-18-28)32-16-10-11-22-41-32)23-21-40(50,25-27-12-6-5-7-13-27)37(48)42-34-31-15-9-8-14-30(31)24-33(34)46/h5-20,22,33-35,46,50H,21,23-26H2,1-4H3,(H,42,48)(H,43,49)(H,44,47)/t33-,34+,35-,40-/m1/s1","","2009-06-19","2011-06-04","methyl [(1S)-1-({2-[(3S)-3-benzyl-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["HN0","2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)","C19 H30 N5 O9 P","O=P(O)(O)OCC4OC(n1c2N=C(NC(=O)c2nc1)NC3C(OC(O)C3)CCCCC)CC4O;CCCCC[CH]1O[CH](O)C[CH]1NC2=Nc3n(cnc3C(=O)N2)[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4;CCCCCC1C(CC(O1)O)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2","InChI=1S/C19H30N5O9P/c1-2-3-4-5-12-10(6-15(26)33-12)21-19-22-17-16(18(27)23-19)20-9-24(17)14-7-11(25)13(32-14)8-31-34(28,29)30/h9-15,25-26H,2-8H2,1H3,(H2,28,29,30)(H2,21,22,23,27)/t10-,11-,12-,13+,14+,15+/m0/s1","","2011-08-15","2012-02-20","2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)",""],["HN1","(6S,8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-[(1S)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one","C19 H30 N5 O9 P","O=P(O)(O)OCC4OC(n1cnc3c1NC2=NC(C(O)CCCCC)CC(O)N2C3=O)CC4O;CCCCC[CH](O)[CH]1C[CH](O)N2C(=O)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3NC2=N1;CCCCCC(C1CC(N2C(=O)c3c(n(cn3)C4CC(C(O4)COP(=O)(O)O)O)NC2=N1)O)O","InChI=1S/C19H30N5O9P/c1-2-3-4-5-11(25)10-6-14(27)24-18(28)16-17(22-19(24)21-10)23(9-20-16)15-7-12(26)13(33-15)8-32-34(29,30)31/h9-15,25-27H,2-8H2,1H3,(H,21,22)(H2,29,30,31)/t10-,11-,12-,13+,14+,15+/m0/s1","","2011-08-12","2012-02-10","(6S,8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-[(1S)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one",""],["5AI","alpha-D-glucopyranosyl 1,3,4-trisphosphate","C6 H15 O15 P3","OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H15O15P3/c7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6-/m1/s1","[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate","2023-07-12","2024-02-23","[(2~{R},3~{R},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate","2024-02-28"],["5AJ","5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine","C21 H23 N11 O4 S","c1nc2c(c(n1)N)nc(n2C3OC(C/N=[N+]=[N-])C(O)C3O)SCC(NCCc5nc4ccccc4n5)=O;Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCC(=O)NCCc4[nH]c5ccccc5n4)nc12;c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3C5C(C(C(O5)CN=[N+]=[N-])O)O)N","InChI=1S/C21H23N11O4S/c22-18-15-19(26-9-25-18)32(20-17(35)16(34)12(36-20)7-27-31-23)21(30-15)37-8-14(33)24-6-5-13-28-10-3-1-2-4-11(10)29-13/h1-4,9,12,16-17,20,34-35H,5-8H2,(H,24,33)(H,28,29)(H2,22,25,26)/t12-,16-,17-,20-/m1/s1","","2015-08-31","2016-09-09","5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine","2016-09-14"],["HN2","1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone","C16 H21 N O4","O=C(c1ccccc1)CC2N3C(C(O)CC2)C(O)C(O)C3;O[CH]1CC[CH](CC(=O)c2ccccc2)N3C[CH](O)[CH](O)[CH]13;c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O","InChI=1S/C16H21NO4/c18-12-7-6-11(17-9-14(20)16(21)15(12)17)8-13(19)10-4-2-1-3-5-10/h1-5,11-12,14-16,18,20-21H,6-9H2/t11-,12-,14-,15-,16-/m1/s1","(1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(phenyl)ethyl]-1,2,8-trihydroxy-indolizidine","2008-09-25","2021-03-13","1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone",""],["HN3","1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone","C17 H23 N O4","O=C(c1ccc(cc1)C)CC2N3C(C(O)CC2)C(O)C(O)C3;Cc1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[CH](O)[CH](O)CN23;Cc1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O","InChI=1S/C17H23NO4/c1-10-2-4-11(5-3-10)14(20)8-12-6-7-13(19)16-17(22)15(21)9-18(12)16/h2-5,12-13,15-17,19,21-22H,6-9H2,1H3/t12-,13-,15-,16-,17-/m1/s1","(1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine","2008-09-25","2021-03-13","1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone",""],["5AK","8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine","C20 H23 Br N6 O5 S","c31ncnc(c1nc(SCC(NCCc2cc(Br)ccc2)=O)n3C4C(C(C(O4)CO)O)O)N;Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(SCC(=O)NCCc4cccc(Br)c4)nc12;c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N","InChI=1S/C20H23BrN6O5S/c21-11-3-1-2-10(6-11)4-5-23-13(29)8-33-20-26-14-17(22)24-9-25-18(14)27(20)19-16(31)15(30)12(7-28)32-19/h1-3,6,9,12,15-16,19,28,30-31H,4-5,7-8H2,(H,23,29)(H2,22,24,25)/t12-,15-,16-,19-/m1/s1","","2015-08-31","2016-09-09","8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine","2016-09-14"],["5AL","5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine","C13 H19 N6 O8 P","O=P(OC(=O)C(N)C)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;C[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1","Alanyl Adenylate","2009-06-25","2021-03-01","5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["HN4","1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone","C20 H29 N O4","O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3;CC(C)(C)c1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[CH](O)[CH](O)CN23;CC(C)(C)c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O","InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15-,17-,18-,19-/m1/s1","(1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine","2008-09-25","2021-03-13","1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone",""],["HN5","(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol","C20 H31 N O3","OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(CC[CH]2CC[CH](O)[CH]3[CH](O)[CH](O)CN23)cc1;CC(C)(C)c1ccc(cc1)CCC2CCC(C3N2CC(C3O)O)O","InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18+,19+/m0/s1","(1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine","2008-09-25","2020-06-17","(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol",""],["5AM","BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-{[4-(4-PHENYLBUTANOYL)PIPERAZIN-1-YL]METHYL}-1,2,4-OXADIAZOL-3-YL)METHYL]PENTYL}CARBAMATE","C31 H42 N6 O5","O=C(N3CCN(Cc1nc(no1)C(O)C(NC(=O)OCc2ccccc2)CCCCN)CC3)CCCc4ccccc4;NCCCC[CH](NC(=O)OCc1ccccc1)[CH](O)c2noc(CN3CCN(CC3)C(=O)CCCc4ccccc4)n2;c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)C(C(CCCCN)NC(=O)OCc4ccccc4)O","InChI=1S/C31H42N6O5/c32-17-8-7-15-26(33-31(40)41-23-25-12-5-2-6-13-25)29(39)30-34-27(42-35-30)22-36-18-20-37(21-19-36)28(38)16-9-14-24-10-3-1-4-11-24/h1-6,10-13,26,29,39H,7-9,14-23,32H2,(H,33,40)/t26-,29-/m0/s1","","2006-03-30","2024-09-27","benzyl {(1S)-5-amino-1-[(S)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate",""],["HN6","(1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol","C20 H31 N O3","OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(CC[CH]2CC[CH](O)[CH]3[CH](O)[CH](O)CN23)cc1;CC(C)(C)c1ccc(cc1)CCC2CCC(C3N2CC(C3O)O)O","InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16-,17-,18-,19-/m1/s1","(1S,2R,5R,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine","2008-09-25","2021-03-13","(1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol",""],["5AN","3,5-DIFLUOROANILINE","C6 H5 F2 N","Fc1cc(N)cc(F)c1;Nc1cc(F)cc(F)c1;c1c(cc(cc1F)F)N","InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2","","2002-04-18","2011-06-04","3,5-difluoroaniline",""],["HN7","1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone","C20 H29 N O4","O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3;CC(C)(C)c1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[CH](O)[CH](O)CN23;CC(C)(C)c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O","InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1","(1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine","2008-09-25","2020-06-17","1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone",""],["5AO","3-(1,3-oxazol-5-yl)aniline","C9 H8 N2 O","n1cc(oc1)c2cc(ccc2)N;Nc1cccc(c1)c2ocnc2;c1cc(cc(c1)N)c2cnco2","InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2","","2011-04-01","2012-03-16","3-(1,3-oxazol-5-yl)aniline",""],["HN8","Haemanthamine","C17 H19 N O4","CO[CH]1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5cc4C3;COC1CC2C3(C=C1)c4cc5c(cc4CN2CC3O)OCO5","InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1","Haemanthamin; Natalensin; 3-Epicrinamine","2017-08-03","2020-06-17","","2018-02-28"],["5AP","5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE","C19 H18 Cl2 N4 O2","Clc3ccc(c1nc(nc(c1CN)N)c2cc(OC)cc(OC)c2)c(Cl)c3;COc1cc(OC)cc(c1)c2nc(N)c(CN)c(n2)c3ccc(Cl)cc3Cl;COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl","InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)","","2003-12-22","2011-06-04","5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine",""],["HN9","1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid","C11 H10 N2 O3","Oc1ccc(Cn2ccnc2C(O)=O)cc1;c1cc(ccc1Cn2ccnc2C(=O)O)O","InChI=1S/C11H10N2O3/c14-9-3-1-8(2-4-9)7-13-6-5-12-10(13)11(15)16/h1-6,14H,7H2,(H,15,16)","","2021-01-19","2022-01-14","1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid","2022-01-19"],["5AQ","8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine","C20 H24 N6 O5 S","c4nc3n(C1C(C(C(O1)CO)O)O)c(SCC(NCCc2ccccc2)=O)nc3c(n4)N;Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(SCC(=O)NCCc4ccccc4)nc12;c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N","InChI=1S/C20H24N6O5S/c21-17-14-18(24-10-23-17)26(19-16(30)15(29)12(8-27)31-19)20(25-14)32-9-13(28)22-7-6-11-4-2-1-3-5-11/h1-5,10,12,15-16,19,27,29-30H,6-9H2,(H,22,28)(H2,21,23,24)/t12-,15-,16-,19-/m1/s1","","2015-08-31","2016-09-09","8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine","2016-09-14"],["HNA","1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE","C14 H7 N O6","[O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(=O)c23;Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O;c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O","InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H","","2002-07-12","2011-06-04","4,5-dihydroxy-1-nitroanthracene-9,10-dione",""],["5AR","(2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid","C10 H18 N4 O3","O=C(C(N)CCc1nnc(o1)CCCCN)O;NCCCCc1oc(CC[CH](N)C(O)=O)nn1;C(CCN)Cc1nnc(o1)CCC(C(=O)O)N","InChI=1S/C10H18N4O3/c11-6-2-1-3-8-13-14-9(17-8)5-4-7(12)10(15)16/h7H,1-6,11-12H2,(H,15,16)/t7-/m0/s1","","2015-08-31","2020-06-27","(2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid","2016-02-10"],["5AS","5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE","C12 H18 N6 O6 S","O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)NCC;CCN[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCNS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H18N6O6S/c1-2-17-25(21,22)23-3-6-8(19)9(20)12(24-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,17,19-20H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2004-01-16","2011-06-04","5'-O-(ethylsulfamoyl)adenosine",""],["HNB","(2S,5R)-5-pentyltetrahydrofuran-2-ol","C9 H18 O2","OC1OC(CCCCC)CC1;CCCCC[CH]1CC[CH](O)O1;CCCCCC1CCC(O1)O","InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1","","2008-10-07","2011-06-04","(2S,5R)-5-pentyltetrahydrofuran-2-ol",""],["HNC","S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine","C12 H23 N O4 S","O=C(O)C(N)CSC(C(O)CCCCC)CC=O;CCCCC[CH](O)[CH](CC=O)SC[CH](N)C(O)=O;CCCCCC(C(CC=O)SCC(C(=O)O)N)O","InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1","Cysteine covalently modified with 4-hydroxy-2-nonenal","2009-09-17","2024-09-27","S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine",""],["5AT","5'-AMINO-5'-DEOXYTHYMIDINE","C10 H15 N3 O4","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN;CC1=CN([CH]2C[CH](O)[CH](CN)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN)O","InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1","","1999-08-12","2011-06-04","5'-amino-5'-deoxythymidine",""],["HND","(4S)-nonane-1,4-diol","C9 H20 O2","OCCCC(O)CCCCC;CCCCC[CH](O)CCCO;CCCCCC(CCCO)O","InChI=1S/C9H20O2/c1-2-3-4-6-9(11)7-5-8-10/h9-11H,2-8H2,1H3/t9-/m0/s1","","2009-04-30","2011-06-04","(4S)-nonane-1,4-diol",""],["5AU","Di-glutathione-PhenylArsine","C26 H37 As N6 O12 S2","NC(CCC(NC(CS[As](SCC(NC(=O)CCC(C(O)=O)N)C(=O)NCC(O)=O)c1ccccc1)C(NCC(O)=O)=O)=O)C(O)=O;N[CH](CCC(=O)N[CH](CS[As](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)[As](SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C26H37AsN6O12S2/c28-15(25(42)43)6-8-19(34)32-17(23(40)30-10-21(36)37)12-46-27(14-4-2-1-3-5-14)47-13-18(24(41)31-11-22(38)39)33-20(35)9-7-16(29)26(44)45/h1-5,15-18H,6-13,28-29H2,(H,30,40)(H,31,41)(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t15-,16-,17-,18-/m0/s1","","2015-08-31","2016-10-21","(2S,7R,13R,18S)-2,18-diamino-7,13-bis[(carboxymethyl)carbamoyl]-5,15-dioxo-10-phenyl-9,11-dithia-6,14-diaza-10-arsanonadecane-1,19-dioic acid (non-preferred name)","2016-10-26"],["HNE","(2E,4R)-4-HYDROXYNON-2-ENAL","C9 H16 O2","O=C/C=C/C(O)CCCCC;CCCCC[CH](O)C=CC=O;CCCCCC(C=CC=O)O","InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1","","2006-08-22","2024-09-27","(2E,4R)-4-hydroxynon-2-enal",""],["5AV","5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine","C12 H12 Cl N5 S","c1(cc(nc2n1ncc2)Cl)NCc3c(nc(C)s3)C;Cc1sc(CNc2cc(Cl)nc3ccnn23)c(C)n1;Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl","InChI=1S/C12H12ClN5S/c1-7-9(19-8(2)16-7)6-14-12-5-10(13)17-11-3-4-15-18(11)12/h3-5,14H,6H2,1-2H3","","2015-08-31","2016-01-22","5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine","2016-01-27"],["5AW","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide","C25 H40 N6 O4 S2","O=C(OCc1scnc1)NC(C)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)C;C[CH](CC[CH](C)NC(=O)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(C)C)NC(=O)OCc2scnc2;CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(C)CCC(C)NC(=O)OCc2cncs2","InChI=1S/C25H40N6O4S2/c1-15(2)21(30-24(33)31(7)11-19-13-36-23(29-19)16(3)4)22(32)27-17(5)8-9-18(6)28-25(34)35-12-20-10-26-14-37-20/h10,13-18,21H,8-9,11-12H2,1-7H3,(H,27,32)(H,28,34)(H,30,33)/t17-,18-,21+/m0/s1","","2013-05-06","2013-06-14","N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide","2013-06-19"],["HNF","7-nitro-9H-fluoren-2-ol","C13 H9 N O3","Oc1ccc2c(Cc3cc(ccc23)[N+]([O-])=O)c1;c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O","InChI=1S/C13H9NO3/c15-11-2-4-13-9(7-11)5-8-6-10(14(16)17)1-3-12(8)13/h1-4,6-7,15H,5H2","2-hydroxy-7-nitrofluorene","2009-03-27","2021-03-01","7-nitro-9H-fluoren-2-ol",""],["HNG","2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C7 H9 N5 O","N2=C(Nc1ncc(c1C2=O)CN)N;NCc1c[nH]c2NC(=NC(=O)c12)N;c1c(c2c([nH]1)NC(=NC2=O)N)CN","InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)","PreQ1","2018-07-12","2020-06-17","2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2019-04-10"],["5AX","2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-D-GLUCITOL","C8 H15 N O5","O=C(NC1C(O)C(O)C(OC1)CO)C;CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O;CC(=O)NC1COC(C(C1O)O)CO","InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6+,7+,8+/m0/s1","","2006-08-10","2016-10-11","2-(acetylamino)-1,5-anhydro-2-deoxy-D-glucitol",""],["HNH","5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol","C10 H12 N2 O","n2cc(C1=CCCN1C)ccc2O;CN1CCC=C1c2ccc(O)nc2;CN1CCC=C1c2ccc(nc2)O","InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)","6-hydroxy-N-Methyl-myosmine","2010-06-29","2020-06-17","5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol",""],["5AY","N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine","C20 H21 N7 O","c1c(nc3n(c1NCc2cnn(c2)C)ncc3)OCC4C(C4)c5ccccn5;Cn1cc(CNc2cc(OC[CH]3C[CH]3c4ccccn4)nc5ccnn25)cn1;Cn1cc(cn1)CNc2cc(nc3n2ncc3)OCC4CC4c5ccccn5","InChI=1S/C20H21N7O/c1-26-12-14(11-24-26)10-22-19-9-20(25-18-5-7-23-27(18)19)28-13-15-8-16(15)17-4-2-3-6-21-17/h2-7,9,11-12,15-16,22H,8,10,13H2,1H3/t15-,16+/m1/s1","","2015-08-31","2016-01-22","N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine","2016-01-27"],["HNI","PROTOPORPHYRIN IX CONTAINING NI(II)","C34 H32 N4 Ni O4","CC1=C(CCC(O)=O)C2=Cc3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O","InChI=1S/C34H34N4O4.Ni/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","1999-07-08","2023-09-23","",""],["5AZ","6-amino-1,3,5-triazin-2(1H)-one","C3 H4 N4 O","NC1=NC=NC(=O)N1;C1=NC(=O)NC(=N1)N","InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)","5-Azacytosine","2010-01-08","2021-03-01","6-azanyl-1H-1,3,5-triazin-2-one",""],["HNJ","3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione","C17 H17 N3 O2 S","C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4;O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)c4ccccc14;c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4","InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)","(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester","2018-07-16","2021-03-01","3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione","2019-02-13"],["5B0","{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid","C9 H14 N O5 P","O=P(O)(O)CCc1cnc(c(O)c1CO)C;Cc1ncc(CC[P](O)(O)=O)c(CO)c1O;Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O","InChI=1S/C9H14NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h4,11-12H,2-3,5H2,1H3,(H2,13,14,15)","","2015-01-09","2015-03-27","{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid","2015-04-01"],["HNK","5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol","C10 H14 N2 O","n1cc(ccc1O)C2N(C)CCC2;CN1CCC[CH]1c2ccc(O)nc2;CN1CCCC1c2ccc(nc2)O","InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1","6-hydroxy-D-nicotine","2010-06-17","2021-03-01","5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol",""],["5B1","5-bromo-1H-indazol-3-amine","C7 H6 Br N3","Brc1cc2c(cc1)nnc2N;Nc1n[nH]c2ccc(Br)cc12;c1cc2c(cc1Br)c(n[nH]2)N","InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)","","2008-08-19","2011-06-04","5-bromo-1H-indazol-3-amine",""],["HNL","5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol","C10 H14 N2 O","n1cc(ccc1O)C2N(C)CCC2;CN1CCC[CH]1c2ccc(O)nc2;CN1CCCC1c2ccc(nc2)O","InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1","6-hydroxy-L-nicotine","2009-10-14","2021-03-01","5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol",""],["5B2","5-phenyl-1H-indazol-3-amine","C13 H11 N3","n2c(c1cc(ccc1n2)c3ccccc3)N;Nc1n[nH]c2ccc(cc12)c3ccccc3;c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N","InChI=1S/C13H11N3/c14-13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)","","2008-08-19","2011-06-04","5-phenyl-1H-indazol-3-amine",""],["HNM","1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one","C10 H14 N2 O2","O=C(c1cnc(O)cc1)CCCNC;CNCCCC(=O)c1ccc(O)nc1;CNCCCC(=O)c1ccc(nc1)O","InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)","","2010-06-29","2011-06-04","1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one",""],["5B3","4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide","C17 H20 N4 O2 S","O=S(=O)(NC(C)(C)C)c3ccc(c1cc2c(cc1)nnc2N)cc3;CC(C)(C)N[S](=O)(=O)c1ccc(cc1)c2ccc3[nH]nc(N)c3c2;CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N","InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)","","2008-08-19","2011-06-04","4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide",""],["HNN","PORPHYCENE CONTAINING MN","C34 H36 Mn N4 O4","O=C(O)CCC=7C1=C3C(=C(C=2C=Cc6c(c(c5C8=[N+]4C(=CC=C(N1[Mn]4([N+]=23)n56)C=7C)C(=C8C)CC)C)CC)C)CCC(=O)O;CCc1c(C)c2n3c1C=CC4=[N+]5C(=C6[N]7C(=CC=C8C(=C(C)C2=[N+]8[Mn]357)CC)C(=C6CCC(O)=O)C)C(=C4C)CCC(O)=O;CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C","InChI=1S/C34H38N4O4.Mn/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31;/h11-14H,7-10,15-16H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b13-11-,14-12-,25-11-,26-12-,27-13-,28-14-,32-31-,34-33-;","","2013-09-27","2014-03-21","{3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}manganese(2+)","2014-03-26"],["5B4","N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam\nide","C26 H20 F3 N5 O3","c3(c(Oc2cc(c1cn(C)nc1)ncc2)cc(c(c3)NC(C5(C(Nc4ccc(F)cc4)=O)CC5)=O)F)F;Cn1cc(cn1)c2cc(Oc3cc(F)c(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccn2;Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F","InChI=1S/C26H20F3N5O3/c1-34-14-15(13-31-34)21-10-18(6-9-30-21)37-23-12-19(28)22(11-20(23)29)33-25(36)26(7-8-26)24(35)32-17-4-2-16(27)3-5-17/h2-6,9-14H,7-8H2,1H3,(H,32,35)(H,33,36)","ALTIRATINIB ANALOG DP-4157","2015-08-31","2020-06-17","N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2016-08-31"],["5B5","(3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C31 H45 N3 O8 S","c4(ccc(S(=O)(N(CC(O)C(NC(OC1CCOC2OCC(C12)NCC)=O)Cc3ccccc3)CC(C)C)=O)cc4)OC;CCN[CH]1CO[CH]2OCC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12;CCNC1COC2C1C(CCO2)OC(=O)NC(Cc3ccccc3)C(CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O","InChI=1S/C31H45N3O8S/c1-5-32-26-20-41-30-29(26)28(15-16-40-30)42-31(36)33-25(17-22-9-7-6-8-10-22)27(35)19-34(18-21(2)3)43(37,38)24-13-11-23(39-4)12-14-24/h6-14,21,25-30,32,35H,5,15-20H2,1-4H3,(H,33,36)/t25-,26-,27+,28-,29-,30-/m0/s1","","2015-08-31","2015-10-23","(3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2015-10-28"],["HNO","N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine","C12 H13 Cl2 N3","CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1;CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl","InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)","","2021-01-20","2024-09-27","~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine","2021-07-07"],["HNP","HYDANTOCIDIN-5'-MONOPHOSPHATE","C7 H11 N2 O9 P","O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O;O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O","InChI=1/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1/f/h8-9,14-15H","","1999-07-08","2008-10-14","[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]non-7-yl]methyl dihydrogen phosphate",""],["5B6","[5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate","C19 H19 N4 O6 P","OP(OCc1cnc(c(c1CN=Cc2cc(cc(n2)c3ccccn3)O)O)C)(O)=O;Cc1ncc(CO[P](O)(O)=O)c(CN=Cc2cc(O)cc(n2)c3ccccn3)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=Cc2cc(cc(n2)c3ccccn3)O)O","InChI=1S/C19H19N4O6P/c1-12-19(25)16(13(8-22-12)11-29-30(26,27)28)10-20-9-14-6-15(24)7-18(23-14)17-4-2-3-5-21-17/h2-9,25H,10-11H2,1H3,(H,23,24)(H2,26,27,28)/b20-9+","","2015-09-01","2016-08-05","[5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate","2016-08-10"],["HNQ","5-nitroquinolin-8-ol","C9 H6 N2 O3","[O-][N+](=O)c1ccc(O)c2ncccc12;Oc1ccc(c2cccnc12)[N+]([O-])=O;c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]","InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H","NITROXOLINE","2010-05-26","2020-06-17","5-nitroquinolin-8-ol",""],["5B7","(3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C30 H42 N2 O9 S","c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2CCOC3OCC(C23)OC)=O)Cc4ccccc4)CC(C)C)=O)OC;CO[CH]1CO[CH]2OCC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOC3C2C(CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C30H42N2O9S/c1-20(2)17-32(42(35,36)23-12-10-22(37-3)11-13-23)18-25(33)24(16-21-8-6-5-7-9-21)31-30(34)41-26-14-15-39-29-28(26)27(38-4)19-40-29/h5-13,20,24-29,33H,14-19H2,1-4H3,(H,31,34)/t24-,25+,26-,27-,28+,29-/m0/s1","","2015-09-01","2015-10-23","(3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2015-10-28"],["HNR","N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYL-BENZENESULFONAMIDE","C15 H20 N4 O4 S","O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)CCCC)C;CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=O)(=O)c2ccccc2;CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N","InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)","","2012-04-26","2014-09-05","N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide","2012-10-26"],["5B8","(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate","C39 H56 N2 O8","C1CCCCC1C(C(N2C(CCCC2)C(=O)OC(CCc3cc(c(cc3)OC)OC)c4cc(ccc4)OCCN5CCOCC5)=O)C(C)O;COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]([CH](C)O)C3CCCCC3)c4cccc(OCCN5CCOCC5)c4)cc1OC;CC(C(C1CCCCC1)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O","InChI=1S/C39H56N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-28,30,33-34,37,42H,4-8,10-11,14-15,17,19-25H2,1-3H3/t28-,33+,34-,37-/m1/s1","","2015-09-01","2015-10-09","(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate","2015-10-14"],["HNS","3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C13 H11 N O4","O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C;Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O;Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O","InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)","","2018-07-16","2019-07-12","3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2019-07-17"],["5B9","2-(naphthalen-1-ylmethoxy)benzoic acid","C18 H14 O3","c21ccccc1cccc2COc3ccccc3C(O)=O;OC(=O)c1ccccc1OCc2cccc3ccccc23;c1ccc2c(c1)cccc2COc3ccccc3C(=O)O","InChI=1S/C18H14O3/c19-18(20)16-10-3-4-11-17(16)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,19,20)","","2015-09-01","2015-09-25","2-(naphthalen-1-ylmethoxy)benzoic acid","2015-09-30"],["HNT","[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL","C10 H12 N2 O3","[O-][N+](=O)c1ccc2c(c1)CNC(C2)CO;OC[CH]1Cc2ccc(cc2CN1)[N+]([O-])=O;c1cc2c(cc1[N+](=O)[O-])CNC(C2)CO","InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1","3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE","2006-03-08","2021-03-13","[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol",""],["5BA","5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one","C23 H31 Br N4 O3","O=C(c2ccc(OCCC)c(C1=NC(=C(Br)C(=O)N1)C(C)C)c2)CN3CCN(CC3)C;CCCOc1ccc(cc1C2=NC(=C(Br)C(=O)N2)C(C)C)C(=O)CN3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C","InChI=1S/C23H31BrN4O3/c1-5-12-31-19-7-6-16(18(29)14-28-10-8-27(4)9-11-28)13-17(19)22-25-21(15(2)3)20(24)23(30)26-22/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,25,26,30)","","2012-12-25","2013-12-27","5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one","2014-01-01"],["HNU","(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide","C10 H17 N3 O3","CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C;CC(=O)NC(CCC(=O)N)C(=O)NCC=C","InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1","","2022-02-07","2022-11-18","(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide","2022-11-23"],["5BB","5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one","C25 H37 Br N4 O4 S","O=S(=O)(c2cc(C1=NC(=C(Br)C(=O)N1)CCCCCCCC)c(OCC)cc2)N3CCN(C)CC3;CCCCCCCCC1=C(Br)C(=O)NC(=N1)c2cc(ccc2OCC)[S](=O)(=O)N3CCN(C)CC3;CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br","InChI=1S/C25H37BrN4O4S/c1-4-6-7-8-9-10-11-21-23(26)25(31)28-24(27-21)20-18-19(12-13-22(20)34-5-2)35(32,33)30-16-14-29(3)15-17-30/h12-13,18H,4-11,14-17H2,1-3H3,(H,27,28,31)","","2012-12-12","2013-12-27","5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one","2014-01-01"],["HNV","3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside","C16 H20 O7","C(#Cc1ccc(OC)cc1)COC2OC(C(O)C(O)C2O)CO;COc1ccc(cc1)C#CCO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;COc1ccc(cc1)C#CCOC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C16H20O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h4-7,12-20H,8-9H2,1H3/t12-,13-,14+,15+,16+/m1/s1","3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannoside; 3-(4-methoxyphenyl)prop-2-yn-1-yl D-mannoside;\n3-(4-methoxyphenyl)prop-2-yn-1-yl mannoside","2012-05-09","2020-07-17","3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside",""],["5BC","(5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1H-indol-1-yl)acetic acid","C35 H33 N O5","O=C(c2ccc(c1ccccc1)cc2)c5ccc(OCCCOc3cc4c(cc3)n(cc4)CC(=O)O)c(c5)CCC;CCCc1cc(ccc1OCCCOc2ccc3n(CC(O)=O)ccc3c2)C(=O)c4ccc(cc4)c5ccccc5;CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5","InChI=1S/C35H33NO5/c1-2-7-29-22-30(35(39)27-12-10-26(11-13-27)25-8-4-3-5-9-25)14-17-33(29)41-21-6-20-40-31-15-16-32-28(23-31)18-19-36(32)24-34(37)38/h3-5,8-19,22-23H,2,6-7,20-21,24H2,1H3,(H,37,38)","","2010-07-02","2011-06-24","(5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1H-indol-1-yl)acetic acid",""],["5BD","N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]","C22 H24 N4 O4","O=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C;CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1;CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C","InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)","","2009-03-24","2011-06-04","N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]",""],["HNW","4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside","C15 H18 O7","O(c1ccc(C#CCO)cc1)C2OC(C(O)C(O)C2O)CO;OCC#Cc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;c1cc(ccc1C#CCO)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C15H18O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h3-6,11-20H,7-8H2/t11-,12-,13+,14+,15+/m1/s1","D-MANNOSE ALPHA1O P-HYDROXYPROPYNYL-PHENYL; 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannoside;\n4-(3-hydroxyprop-1-yn-1-yl)phenyl D-mannoside; 4-(3-hydroxyprop-1-yn-1-yl)phenyl mannoside","2012-05-17","2020-07-17","4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside",""],["HNX","(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid","C22 H21 N O3","N[C]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O;c1ccc2c(c1)cccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N","InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1","","2021-01-22","2021-03-05","(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid","2021-03-10"],["5BE","3-methyl-5-[5-(1-methylethyl)-1H-benzimidazol-2-yl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide","C21 H28 N6 O","O=C(c3c(c2nc1cc(ccc1n2)C(C)C)nnc3C)NC4CCN(C)CC4;CC(C)c1ccc2[nH]c(nc2c1)c3[nH]nc(C)c3C(=O)NC4CCN(C)CC4;Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C","InChI=1S/C21H28N6O/c1-12(2)14-5-6-16-17(11-14)24-20(23-16)19-18(13(3)25-26-19)21(28)22-15-7-9-27(4)10-8-15/h5-6,11-12,15H,7-10H2,1-4H3,(H,22,28)(H,23,24)(H,25,26)","","2010-06-23","2011-06-04","3-methyl-N-(1-methylpiperidin-4-yl)-5-[5-(propan-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazole-4-carboxamide",""],["HNY","6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C14 H13 N O4","O=C(O)C=1NC(=CC(C=1O)=O)c2c(cccc2)CC;CCc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O;CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O","InChI=1S/C14H13NO4/c1-2-8-5-3-4-6-9(8)10-7-11(16)13(17)12(15-10)14(18)19/h3-7,17H,2H2,1H3,(H,15,16)(H,18,19)","","2018-07-16","2019-07-12","6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2019-07-17"],["5BF","(11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide","C36 H37 N3 O6","O=CC(NC(=O)C3NC(=O)c1ccc(n1)C(=O)CCc4ccc(OCCCCOc2ccc(cc2)C3)cc4)Cc5ccccc5;O=C[CH](Cc1ccccc1)NC(=O)[CH]2Cc3ccc(OCCCCOc4ccc(CCC(=O)c5[nH]c(cc5)C(=O)N2)cc4)cc3;c1ccc(cc1)CC(C=O)NC(=O)C2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2","InChI=1S/C36H37N3O6/c40-24-28(22-26-6-2-1-3-7-26)37-36(43)33-23-27-10-15-30(16-11-27)45-21-5-4-20-44-29-13-8-25(9-14-29)12-19-34(41)31-17-18-32(38-31)35(42)39-33/h1-3,6-11,13-18,24,28,33,38H,4-5,12,19-23H2,(H,37,43)(H,39,42)/t28-,33-/m0/s1","","2014-04-15","2024-09-27","(11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide","2014-07-23"],["HNZ","3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C25 H24 F3 N9 O","Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C25H24F3N9O/c1-16-5-6-17(21(38)31-19-4-2-3-18(14-19)25(26,27)28)13-20(16)32-22-33-23(36-10-7-29-8-11-36)35-24(34-22)37-12-9-30-15-37/h2-6,9,12-15,29H,7-8,10-11H2,1H3,(H,31,38)(H,32,33,34,35)","","2018-12-14","2020-01-10","3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2020-01-15"],["5BG","{3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid","C42 H54 N2 O10","COc1c(OC)c(OC)cc(c1)C(C2CCCCC2)C(N3CCCCC3C(=O)NC(CCc4ccc(OC)c(c4)OC)c5cccc(c5)OCC(=O)O)=O;COc1ccc(CC[CH](NC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)NC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)OC)C5CCCCC5","InChI=1S/C42H54N2O10/c1-49-34-20-18-27(22-35(34)50-2)17-19-32(29-14-11-15-31(23-29)54-26-38(45)46)43-41(47)33-16-9-10-21-44(33)42(48)39(28-12-7-6-8-13-28)30-24-36(51-3)40(53-5)37(25-30)52-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,43,47)(H,45,46)/t32-,33+,39+/m1/s1","","2015-09-02","2016-03-18","{3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid","2016-03-23"],["5BH","(2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide","C29 H43 N3 O6","C1CCCC1(C(=O)N)NC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4;COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)NC4(CCCC4)C(N)=O;COc1cc(cc(c1OC)OC)C(C2CCCCC2)C(=O)N3CCCCC3C(=O)NC4(CCCC4)C(=O)N","InChI=1S/C29H43N3O6/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-11-5-4-6-12-19)27(34)32-16-10-7-13-21(32)26(33)31-29(28(30)35)14-8-9-15-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/m0/s1","","2015-09-02","2016-03-18","(2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide","2016-03-23"],["HO","HOLMIUM ATOM","Ho","[Ho];[Ho];[Ho]","InChI=1S/Ho","","1999-07-08","2011-06-04","holmium",""],["HO0","(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid","C24 H23 N O3","N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O;c1ccc(cc1)c2ccccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N","InChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1","","2021-01-22","2021-03-05","(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid","2021-03-10"],["5BI","methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside","C23 H22 F3 N O10","COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3ccc(cc3[N+]([O-])=O)C(F)(F)F;Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F)OC)CO)O","InChI=1S/C23H22F3NO10/c1-11-3-5-12(6-4-11)20(30)36-18-17(29)16(10-28)35-22(34-2)19(18)37-21(31)14-8-7-13(23(24,25)26)9-15(14)27(32)33/h3-9,16-19,22,28-29H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1","","2021-07-16","2022-07-08","methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside","2022-07-13"],["HO1","3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid","C13 H9 N5 O4","OC(=O)C=1NC(=CC(C=1O)=O)c2cccc(c2)c3nnnn3;OC(=O)C1=C(O)C(=O)C=C(N1)c2cccc(c2)c3[nH]nnn3;c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3","InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-2-1-3-7(4-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18)","","2018-07-16","2019-07-12","3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid","2019-07-17"],["5BJ","4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid","C19 H13 N O2","c14c(cccc1c3cccc2ccccc23)nc(C(O)=O)c4;OC(=O)c1[nH]c2cccc(c2c1)c3cccc4ccccc34;c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O","InChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22)","","2015-09-02","2015-09-25","4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid","2015-09-30"],["HO2","(9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid","C18 H32 O3","O=C(O)CCCCCCC/C=C/C=C/C(O)CCCCC;CCCCC[CH](O)C=CC=CCCCCCCCC(O)=O;CCCCCC(C=CC=CCCCCCCCC(=O)O)O","InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+/t17-/m0/s1","","2008-06-05","2011-06-04","(9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid",""],["5BK","1H,1'H-4,4'-biindole-2-carboxylic acid","C17 H12 N2 O2","c1cc4c(c(c1)c3c2ccnc2ccc3)cc(n4)C(O)=O;OC(=O)c1[nH]c2cccc(c3cccc4[nH]ccc34)c2c1;c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O","InChI=1S/C17H12N2O2/c20-17(21)16-9-13-11(4-2-6-15(13)19-16)10-3-1-5-14-12(10)7-8-18-14/h1-9,18-19H,(H,20,21)","","2015-09-02","2015-09-25","1H,1'H-4,4'-biindole-2-carboxylic acid","2015-09-30"],["HO3","HOLMIUM (III) ATOM","Ho","[Ho+3];[Ho+3];[Ho+3]","InChI=1S/Ho/q+3","","2004-08-24","2011-06-04","holmium",""],["5BL","8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid","C24 H16 N2 O2","c1cc(nc1)c2cc(c3c(c2)ccc(n3)C(=O)O)c5cccc4c5cccc4;OC(=O)c1ccc2cc(cc(c3cccc4ccccc34)c2n1)c5[nH]ccc5;c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5","InChI=1S/C24H16N2O2/c27-24(28)22-11-10-16-13-17(21-9-4-12-25-21)14-20(23(16)26-22)19-8-3-6-15-5-1-2-7-18(15)19/h1-14,25H,(H,27,28)","","2015-09-02","2015-10-02","8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid","2015-10-07"],["5BM","(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile","C18 H16 N6 S2","N#CC(=C(/Sc1ccccc1N)N)C(/C#N)=C(/Sc2ccccc2N)N;NC(Sc1ccccc1N)=C(C#N)C(C#N)=C(N)Sc2ccccc2N;c1ccc(c(c1)N)SC(=C(C#N)C(=C(N)Sc2ccccc2N)C#N)N","InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+","","2008-10-13","2011-06-04","(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile",""],["HO4","5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C13 H14 N4 O4","C#Cc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N;Nc1ncnc2n(cc(C#C)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;C#Cc1cn(c2c1c(ncn2)N)C3C(C(C(O3)CO)O)O","InChI=1S/C13H14N4O4/c1-2-6-3-17(12-8(6)11(14)15-5-16-12)13-10(20)9(19)7(4-18)21-13/h1,3,5,7,9-10,13,18-20H,4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2014-03-24","2014-11-21","5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2014-11-26"],["HO5","3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C25 H23 F3 N8 O2","Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C25H23F3N8O2/c1-15-5-6-16(21(38)30-18-4-2-3-17(12-18)25(26,27)28)11-20(15)31-22-32-23(35-9-7-19(37)13-35)34-24(33-22)36-10-8-29-14-36/h2-6,8,10-12,14,19,37H,7,9,13H2,1H3,(H,30,38)(H,31,32,33,34)/t19-/m0/s1","","2018-12-14","2020-01-10","3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2020-01-15"],["5BN","5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE","C17 H15 F N4 O","Fc1ccc2c3c1c(cc(c3C(=O)N2)c4cccn4)NCCN;NCCNc1cc(c2[nH]ccc2)c3C(=O)Nc4ccc(F)c1c34;c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN","InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)","","2003-04-21","2011-06-04","5-[(2-aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-yl)benzo[cd]indol-2(1H)-one",""],["5BO","5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","C20 H27 Br N4 O4 S","O=S(=O)(c2cc(C1=NC(=C(Br)C(=O)N1)CC)c(OCCC)cc2)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(Br)C(=O)N2)CC)[S](=O)(=O)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C","InChI=1S/C20H27BrN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)","","2011-07-06","2011-08-19","5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one",""],["HO6","5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid","C10 H8 N2 O2 S2","O=C(O)c2nnsc2Sc1ccc(cc1)C;Cc1ccc(Sc2snnc2C(O)=O)cc1;Cc1ccc(cc1)Sc2c(nns2)C(=O)O","InChI=1S/C10H8N2O2S2/c1-6-2-4-7(5-3-6)15-10-8(9(13)14)11-12-16-10/h2-5H,1H3,(H,13,14)","4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole","2011-06-22","2021-03-13","5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid",""],["HO7","(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole","C11 H11 Br N2 S","c3c(C2CN1CCSC1=N2)ccc(c3)Br;Brc1ccc(cc1)[CH]2CN3CCSC3=N2;c1cc(ccc1C2CN3CCSC3=N2)Br","InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1","","2018-07-16","2019-02-08","(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole","2019-02-13"],["5BP","N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine","C13 H12 N6","n1cc(c2cccnn12)c3nc(ncc3)NC4CC4;C1CC1Nc2nccc(n2)c3cnn4ncccc34;c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4","InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18)","","2008-09-22","2011-06-04","N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine",""],["HO8","3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C25 H23 F3 N8 O2","Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C25H23F3N8O2/c1-16-5-6-17(21(37)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)31-22-32-23(35-9-11-38-12-10-35)34-24(33-22)36-8-7-29-15-36/h2-8,13-15H,9-12H2,1H3,(H,30,37)(H,31,32,33,34)","","2018-12-14","2020-01-10","3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2020-01-15"],["5BQ","2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione","C14 H13 Cl O5 S","O=C1C(C(CCC1)=O)C(=O)c2ccc(cc2Cl)S(=O)(C)=O;C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)C2C(=O)CCCC2=O;CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O","InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3","Sulcotrione","2015-09-03","2021-03-01","2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione","2016-09-07"],["HO9","(2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid","C25 H22 N2 O4","N[C]1(CCc2ccc(OCc3ccccc3c4oc5ccccc5n4)cc2C1)C(O)=O;c1ccc(c(c1)COc2ccc3c(c2)CC(CC3)(C(=O)O)N)c4nc5ccccc5o4","InChI=1S/C25H22N2O4/c26-25(24(28)29)12-11-16-9-10-19(13-18(16)14-25)30-15-17-5-1-2-6-20(17)23-27-21-7-3-4-8-22(21)31-23/h1-10,13H,11-12,14-15,26H2,(H,28,29)/t25-/m0/s1","","2021-01-22","2021-03-05","(2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid","2021-03-10"],["5BR","1-BROMOPENTANE","C5 H11 Br","BrCCCCC;CCCCCBr;CCCCCBr","InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3","","2004-11-03","2011-06-04","1-bromopentane",""],["5BS","4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide","C17 H16 N6 O3 S2","c14c(cnc(n1)Nc2ccc(S(=O)(=O)N)cc2)N(C)C(=O)c3sccc3N4C;CN1C(=O)c2sccc2N(C)c3nc(Nc4ccc(cc4)[S](N)(=O)=O)ncc13;CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C","InChI=1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21)","","2015-09-03","2016-08-24","4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide","2016-08-31"],["HOA","HYDROXYAMINE","H3 N O","ON;NO;NO","InChI=1S/H3NO/c1-2/h2H,1H2","","1999-07-08","2024-09-27","hydroxylamine",""],["5BT","5-bromo-2'-deoxycytidine","C9 H12 Br N3 O4","BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)CO)N;NC1=NC(=O)N(C=C1Br)[CH]2C[CH](O)[CH](CO)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)Br)CO)O","InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1","5-bromo-2'-doxy-D-cytidine","2011-01-25","2020-06-17","5-bromo-2'-deoxycytidine",""],["HOB","(3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)oxy]propyl}carbamate","C36 H62 N O9 P","O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)NCCCO[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5;CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C","InChI=1S/C36H62NO9P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-20-26(14-16-35(25,4)30(27)15-17-36(28,29)5)45-34(39)37-18-7-19-43-33-21-31(38)32(46-33)22-44-47(40,41)42/h10,23-24,26-33,38H,6-9,11-22H2,1-5H3,(H,37,39)(H2,40,41,42)/t24-,26+,27+,28-,29+,30+,31+,32-,33-,35+,36-/m1/s1","","2004-03-26","2012-12-21","(3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)oxy]propyl}carbamate",""],["5BU","5-BROMO-URIDINE-5'-MONOPHOSPHATE","C9 H12 Br N2 O9 P","BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)Br","InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2003-11-05","2011-06-04","5-bromouridine 5'-(dihydrogen phosphate)",""],["HOC","(2S)-2-HYDROXYOCTANOIC ACID","C8 H16 O3","O=C(O)C(O)CCCCCC;CCCCCC[CH](O)C(O)=O;CCCCCCC(C(=O)O)O","InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1","","2005-07-19","2011-06-04","(2S)-2-hydroxyoctanoic acid",""],["5BV","(2R,3R)-3-(glycyloxy)-2-methylnonanoic acid","C12 H23 N O4","O=C(OC(C(C)C(=O)O)CCCCCC)CN;CCCCCC[CH](OC(=O)CN)[CH](C)C(O)=O;CCCCCCC(C(C)C(=O)O)OC(=O)CN","InChI=1S/C12H23NO4/c1-3-4-5-6-7-10(9(2)12(15)16)17-11(14)8-13/h9-10H,3-8,13H2,1-2H3,(H,15,16)/t9-,10-/m1/s1","","2015-09-03","2024-09-27","(2R,3R)-3-(glycyloxy)-2-methylnonanoic acid","2016-03-02"],["HOE","2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C25 H25 N6 O","Oc1ccc(cc1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6;C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6;C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O","InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1","HOECHST 33258","1999-07-08","2021-03-01","4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium",""],["HOF","methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate","C19 H24 N2 O5","COC(=O)c1ccc(COC(=O)N[CH]2C=CCC[CH]2C(=O)N(C)C)cc1;CN(C)C(=O)C1CCC=CC1NC(=O)OCc2ccc(cc2)C(=O)OC","InChI=1S/C19H24N2O5/c1-21(2)17(22)15-6-4-5-7-16(15)20-19(24)26-12-13-8-10-14(11-9-13)18(23)25-3/h5,7-11,15-16H,4,6,12H2,1-3H3,(H,20,24)/t15-,16-/m0/s1","","2021-01-25","2021-08-13","methyl 4-[[(1~{S},6~{S})-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate","2021-08-18"],["5BW","(2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one","C19 H19 N3 O2","c1cccnc1N2CC3CC2CN3[C@H]=CC(=O)c4c(cccc4)O;Oc1ccccc1C(=O)C=CN2C[CH]3C[CH]2CN3c4ccccn4;c1ccc(c(c1)C(=O)C=CN2CC3CC2CN3c4ccccn4)O","InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1","","2015-09-03","2015-10-09","(2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one","2015-10-14"],["HOG","6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C13 H9 N O6","OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C(C=2)=O)=O;OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(O)=O)O;c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O","InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)","","2018-07-16","2019-07-12","6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2019-07-17"],["5BX","(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one","C14 H15 N3 O2","CNC=1OC(C(N=1)=O)C(c2c3c(nc2)cccc3)C;CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3ccccc23;CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3)NC","InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1","Indolemycin; Indolmycin","2015-09-03","2020-05-26","(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one","2015-11-18"],["HOH","WATER","H2 O","O;O;O","InChI=1S/H2O/h1H2","","1999-07-08","2011-06-04","water",""],["5BY","{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid","C28 H42 B N5 O9","C(=O)(NC(Cc1ccccc1)C(NC(CC(C)C)B(O)O)=O)C[C@H]=[C@H]c2cn(CCOCCOCCOCC(O)=O)nn2;CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CC=Cc2cn(CCOCCOCCOCC(O)=O)nn2)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CC=Cc2cn(nn2)CCOCCOCCOCC(=O)O)(O)O","InChI=1S/C28H42BN5O9/c1-21(2)17-25(29(39)40)31-28(38)24(18-22-7-4-3-5-8-22)30-26(35)10-6-9-23-19-34(33-32-23)11-12-41-13-14-42-15-16-43-20-27(36)37/h3-9,19,21,24-25,39-40H,10-18,20H2,1-2H3,(H,30,35)(H,31,38)(H,36,37)/b9-6+/t24-,25-/m0/s1","","2015-09-04","2015-10-23","{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid","2015-10-28"],["HOI","~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide","C31 H29 N3 O5","COc1ccc(cc1COc2ccc(NC(C)=O)cc2)[CH]3Nc4cccc(O)c4C(=O)N3Cc5ccccc5;CC(=O)Nc1ccc(cc1)OCc2cc(ccc2OC)C3Nc4cccc(c4C(=O)N3Cc5ccccc5)O","InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)/t30-/m0/s1","","2022-05-26","2022-08-12","~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide","2022-08-17"],["5BZ","[(1~{R})-1-[[(2~{S})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid","C20 H29 B N2 O4","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCC#C)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CCCC#C)(O)O","InChI=1S/C20H29BN2O4/c1-4-5-7-12-19(24)22-17(14-16-10-8-6-9-11-16)20(25)23-18(21(26)27)13-15(2)3/h1,6,8-11,15,17-18,26-27H,5,7,12-14H2,2-3H3,(H,22,24)(H,23,25)/t17-,18-/m0/s1","","2015-09-04","2016-08-16","[(1~{R})-1-[[(2~{S})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid","2015-10-28"],["HOJ","(5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide","C26 H27 N3 O5","n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N(CCc34)C(C)=O)OC;COc1ccc2[CH](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(OCc4ccccc4OC)cc3;CC(=O)N1CCc2c(ccc(n2)OC)C1C(=O)Nc3ccc(cc3)OCc4ccccc4OC","InChI=1S/C26H27N3O5/c1-17(30)29-15-14-22-21(12-13-24(28-22)33-3)25(29)26(31)27-19-8-10-20(11-9-19)34-16-18-6-4-5-7-23(18)32-2/h4-13,25H,14-16H2,1-3H3,(H,27,31)/t25-/m1/s1","","2018-07-16","2019-06-07","(5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide","2019-06-12"],["5C0","(2E)-3-[(6S,9R)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one","C21 H22 N4 O2","c31c(ncnc1NC2CC2)C4CCC(C3)N4[C@H]=CC(=O)c5c(O)cccc5;Oc1ccccc1C(=O)C=CN2[CH]3CC[CH]2c4ncnc(NC5CC5)c4C3;c1ccc(c(c1)C(=O)C=CN2C3CCC2c4c(c(ncn4)NC5CC5)C3)O","InChI=1S/C21H22N4O2/c26-18-4-2-1-3-15(18)19(27)9-10-25-14-7-8-17(25)20-16(11-14)21(23-12-22-20)24-13-5-6-13/h1-4,9-10,12-14,17,26H,5-8,11H2,(H,22,23,24)/b10-9+/t14-,17+/m0/s1","","2015-09-04","2016-09-09","(2E)-3-[(6S,9R)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one","2016-09-14"],["5C1","5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide","C10 H7 Cl N2 O3","O=C(c1ncc(o1)c2c(Cl)cccc2)NO;ONC(=O)c1oc(cn1)c2ccccc2Cl;c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl","InChI=1S/C10H7ClN2O3/c11-7-4-2-1-3-6(7)8-5-12-10(16-8)9(14)13-15/h1-5,15H,(H,13,14)","","2011-11-10","2012-06-08","5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide",""],["HOK","3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C26 H25 F3 N8 O2","Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)N3CCCC(C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C26H25F3N8O2/c1-16-7-8-17(22(39)31-19-5-2-4-18(13-19)26(27,28)29)12-21(16)32-23-33-24(36-10-3-6-20(38)14-36)35-25(34-23)37-11-9-30-15-37/h2,4-5,7-9,11-13,15,20,38H,3,6,10,14H2,1H3,(H,31,39)(H,32,33,34,35)/t20-/m0/s1","","2018-12-14","2020-01-10","3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2020-01-15"],["HOL","ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE","C36 H62 N O9 P","O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)NCCCO[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5;CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C","InChI=1S/C36H62NO9P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-20-26(14-16-35(25,4)30(27)15-17-36(28,29)5)45-34(39)37-18-7-19-43-33-21-31(38)32(46-33)22-44-47(40,41)42/h10,23-24,26-33,38H,6-9,11-22H2,1-5H3,(H,37,39)(H2,40,41,42)/t24-,26+,27+,28-,29+,30+,31+,32-,33+,35+,36-/m1/s1","","2004-03-18","2011-06-04","(3alpha,8alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)oxy]propyl}carbamate",""],["5C2","1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","C18 H17 N5 O2 S","N(Cc1nc(oc1)c2cccs2)C(c4cc3cnn(C(C)C)c3nc4)=O;CC(C)n1ncc2cc(cnc12)C(=O)NCc3coc(n3)c4sccc4;CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1","InChI=1S/C18H17N5O2S/c1-11(2)23-16-12(8-21-23)6-13(7-19-16)17(24)20-9-14-10-25-18(22-14)15-4-3-5-26-15/h3-8,10-11H,9H2,1-2H3,(H,20,24)","","2015-09-04","2015-11-20","1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","2015-11-25"],["HOM","7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN","C12 H12 O4","O=C2Oc1cc(O)ccc1C(=C2CCO)C;CC1=C(CCO)C(=O)Oc2cc(O)ccc12;CC1=C(C(=O)Oc2c1ccc(c2)O)CCO","InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3","","1999-07-08","2024-09-27","7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one",""],["5C3","4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide","C14 H20 N2 O3 S","O=S(=O)(c1ccccc1)NC(=O)C2CCC(CN)CC2;NC[CH]1CC[CH](CC1)C(=O)N[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN","InChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)/t11-,12-","","2013-06-25","2014-07-10","trans-4-(aminomethyl)-N-(phenylsulfonyl)cyclohexanecarboxamide","2014-07-08"],["HOO","(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid","C6 H7 N3 O4","N[CH](CC1=NC(=O)NC1=O)C(O)=O;C(C1=NC(=O)NC1=O)C(C(=O)O)N","InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1","","2018-06-07","2024-09-27","(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid","2019-02-27"],["5C4","4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol","C27 H23 N O2","Oc1ccc(cc1)/C(c2ccc(cc2)O)=C(/c3cc(ccc3)Nc4ccccc4)C;CC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4;CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4","InChI=1S/C27H23NO2/c1-19(22-6-5-9-24(18-22)28-23-7-3-2-4-8-23)27(20-10-14-25(29)15-11-20)21-12-16-26(30)17-13-21/h2-18,28-30H,1H3","","2015-09-04","2016-04-29","4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol","2016-05-04"],["HOP","(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL","C23 H27 N O4","O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)CC3O;O[CH]1C[CH](CC[CH]1c2ccc(cc2)C(=O)NCCCC(O)=O)c3ccccc3;c1ccc(cc1)C2CCC(C(C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O","InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1","OXY-COPE-HAPTEN","1999-07-08","2021-03-01","4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid",""],["5C5","(2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid","C25 H25 N O3 S","COc1ccc(cc1)[C]2(SC[CH](N)C(O)=O)c3ccccc3CCc4ccccc24;COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SCC(C(=O)O)N","InChI=1S/C25H25NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-9,12-15,23H,10-11,16,26H2,1H3,(H,27,28)/t23-/m0/s1","","2018-04-19","2018-10-05","(2~{R})-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid","2018-10-10"],["HOQ","(1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","C11 H19 N O5 S","O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C;CC(C)(O)[CH]([CH]1N[CH](C(O)=O)C(C)(C)S1)C(O)=O;CC1(C(NC(S1)C(C(=O)O)C(C)(C)O)C(=O)O)C","InChI=1S/C11H19NO5S/c1-10(2,17)5(8(13)14)7-12-6(9(15)16)11(3,4)18-7/h5-7,12,17H,1-4H3,(H,13,14)(H,15,16)/t5-,6-,7+/m0/s1","","2001-10-29","2024-09-27","(2R,4S)-2-[(1R)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["5C6","4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol","C32 H27 N O2","CC/C(c1cc(ccc1)Nc2cccc3c2cccc3)=C(/c4ccc(cc4)O)c5ccc(cc5)O;CCC(c1cccc(Nc2cccc3ccccc23)c1)=C(c4ccc(O)cc4)c5ccc(O)cc5;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5","InChI=1S/C32H27NO2/c1-2-29(32(23-13-17-27(34)18-14-23)24-15-19-28(35)20-16-24)25-9-5-10-26(21-25)33-31-12-6-8-22-7-3-4-11-30(22)31/h3-21,33-35H,2H2,1H3","","2015-09-04","2016-04-29","4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol","2016-05-04"],["HOR","4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile","C21 H22 Cl N3 O","N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N;c1ccc2c(c1)CC(C2Oc3ccc(cc3Cl)C#N)N4CCCC(C4)N","InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1","SAR7334","2021-01-25","2022-01-28","4-[[(1~{R},2~{R})-2-[(3~{R})-3-azanylpiperidin-1-yl]-2,3-dihydro-1~{H}-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile","2022-02-02"],["5C7","4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol","C25 H26 O2","C/C(c1ccc(cc1)C(C)(C)C)=C(/c2ccc(cc2)O)c3ccc(O)cc3;CC(c1ccc(cc1)C(C)(C)C)=C(c2ccc(O)cc2)c3ccc(O)cc3;CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C","InChI=1S/C25H26O2/c1-17(18-5-11-21(12-6-18)25(2,3)4)24(19-7-13-22(26)14-8-19)20-9-15-23(27)16-10-20/h5-16,26-27H,1-4H3","","2015-09-04","2016-04-29","4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol","2016-05-04"],["HOS","Phomopsin A","C36 H45 Cl N6 O12","O=C(O)C=C(/C(=O)O)NC(=O)/C(=C(/C)CC)NC(=O)C3C=CCN3C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)c2cc(OC1(C)CC)c(O)c(Cl)c2)C(=C)C;CCC(C)=C(NC(=O)[CH]1C=CCN1C(=O)[CH]2NC(=O)[CH](NC(=O)[CH](NC)[CH](O)c3cc(Cl)c(O)c(O[C]2(C)CC)c3)C(C)=C)C(=O)NC(=CC(O)=O)C(O)=O;CCC(=C(C(=O)NC(=CC(=O)O)C(=O)O)NC(=O)C1C=CCN1C(=O)C2C(Oc3cc(cc(c3O)Cl)C(C(C(=O)NC(C(=O)N2)C(=C)C)NC)O)(C)CC)C","InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b20-15+,25-17+/t21-,24-,26-,27-,29+,36+/m0/s1","","2008-07-22","2011-06-04","(2E)-2-{[(2E)-2-({[(2S)-1-{[(3R,4S,7S,10S,11S)-14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-7-(1-methylethenyl)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}-2,5-dihydro-1H-pyrrol-2-yl]carbonyl}amino)-3-methylpent-2-enoyl]amino}but-2-enedioic acid",""],["5C8","4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol","C25 H20 O2","C/C(c1cc2c(cc1)cccc2)=C(/c3ccc(cc3)O)c4ccc(O)cc4;CC(c1ccc2ccccc2c1)=C(c3ccc(O)cc3)c4ccc(O)cc4;CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3","InChI=1S/C25H20O2/c1-17(21-7-6-18-4-2-3-5-22(18)16-21)25(19-8-12-23(26)13-9-19)20-10-14-24(27)15-11-20/h2-16,26-27H,1H3","","2015-09-04","2016-04-29","4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol","2016-05-04"],["HOT","3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C26 H25 F3 N8 O2","Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC(O)CC4)C(=O)Nc5cccc(c5)C(F)(F)F;Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C26H25F3N8O2/c1-16-5-6-17(22(39)31-19-4-2-3-18(14-19)26(27,28)29)13-21(16)32-23-33-24(36-10-7-20(38)8-11-36)35-25(34-23)37-12-9-30-15-37/h2-6,9,12-15,20,38H,7-8,10-11H2,1H3,(H,31,39)(H,32,33,34,35)","","2018-12-14","2020-01-10","3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2020-01-15"],["5C9","4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol","C29 H27 N O2","CCC(=C(/c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C;CCC(c1cccc(Nc2cccc(C)c2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C","InChI=1S/C29H27NO2/c1-3-28(23-7-5-9-25(19-23)30-24-8-4-6-20(2)18-24)29(21-10-14-26(31)15-11-21)22-12-16-27(32)17-13-22/h4-19,30-32H,3H2,1-2H3","","2015-09-04","2016-04-29","4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol","2016-05-04"],["5CA","5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE","C13 H19 N7 O7 S2","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CS;N[CH](CS)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CS)N)O)O)N","InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1","","2003-01-07","2011-06-04","5'-O-(L-cysteinylsulfamoyl)adenosine",""],["HOU","2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol","C24 H24 N4 O2","Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn2)c4ccccc4;Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4","InChI=1S/C24H24N4O2/c1-17-21(19-8-3-2-4-9-19)11-6-12-22(17)23-27-28-24(30-23)26-20-10-5-7-18(15-20)16-25-13-14-29/h2-12,15,25,29H,13-14,16H2,1H3,(H,26,28)","","2021-01-26","2022-01-21","2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol","2022-01-26"],["HOV","ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate","C32 H43 N5 O7","CCOC(=O)CCC(NC(=O)C1N(CCC1c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH](CCN2C(=O)[CH](NC(=O)c3cc(C)on3)C(C)C)c4ccccc4;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C2C(CCN2C(=O)C(C(C)C)NC(=O)c3cc(on3)C)c4ccccc4","InChI=1S/C32H43N5O7/c1-5-43-26(38)12-11-23(18-22-13-15-33-29(22)39)34-31(41)28-24(21-9-7-6-8-10-21)14-16-37(28)32(42)27(19(2)3)35-30(40)25-17-20(4)44-36-25/h6-10,17,19,22-24,27-28H,5,11-16,18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,27-,28-/m0/s1","","2016-02-25","2024-09-27","N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(3R)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-3-phenyl-L-prolinamide","2016-06-22"],["5CB","N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE","C22 H23 Cl2 N5 O2 S","ClC1N(C(O)C(=NC1)NCCc2ncccc2)CC(=O)NCc3c4cc(Cl)ccc4sc3;O[CH]1N(CC(=O)NCc2csc3ccc(Cl)cc23)[CH](Cl)CN=C1NCCc4ccccn4;c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl","InChI=1S/C22H23Cl2N5O2S/c23-15-4-5-18-17(9-15)14(13-32-18)10-27-20(30)12-29-19(24)11-28-21(22(29)31)26-8-6-16-3-1-2-7-25-16/h1-5,7,9,13,19,22,31H,6,8,10-12H2,(H,26,28)(H,27,30)/t19-,22-/m0/s1","","2005-07-04","2011-06-04","N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-[(2-pyridin-2-ylethyl)amino]-3,6-dihydropyrazin-1(2H)-yl]acetamide",""],["5CC","4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol","C28 H25 N O2","CC/C(c1cc(ccc1)Nc2ccccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O;CCC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4","InChI=1S/C28H25NO2/c1-2-27(22-7-6-10-24(19-22)29-23-8-4-3-5-9-23)28(20-11-15-25(30)16-12-20)21-13-17-26(31)18-14-21/h3-19,29-31H,2H2,1H3","","2015-09-04","2016-04-29","4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol","2016-05-04"],["HOW","1,2-oxazol-3-amine","C3 H4 N2 O","Nc1ccon1;c1conc1N","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","","2018-12-14","2019-06-21","1,2-oxazol-3-amine","2019-06-26"],["5CD","5'-CHLORO-5'-DEOXYADENOSINE","C10 H12 Cl N5 O3","ClCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CCl)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCl)O)O)N","InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1","","2005-09-30","2011-06-04","5'-chloro-5'-deoxyadenosine",""],["HOX","4-amino-L-phenylalanine","C9 H12 N2 O2","O=C(O)C(N)Cc1ccc(N)cc1;N[CH](Cc1ccc(N)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)N","InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1","","2009-08-25","2024-09-27","4-amino-L-phenylalanine",""],["HOZ","(4S)-4,5-DIAMINOPENTANOIC ACID","C5 H12 N2 O2","O=C(O)CCC(N)CN;NC[CH](N)CCC(O)=O;C(CC(=O)O)C(CN)N","InChI=1S/C5H12N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1","","2006-07-18","2011-06-04","(4S)-4,5-diaminopentanoic acid",""],["5CE","(1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol","C17 H21 F3 O2","c1cc(c(cc1O)C(F)(F)F)C3CC2CCC(C2(CC3)C)O;C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)cc3C(F)(F)F;CC12CCC(CC1CCC2O)c3ccc(cc3C(F)(F)F)O","InChI=1S/C17H21F3O2/c1-16-7-6-10(8-11(16)2-5-15(16)22)13-4-3-12(21)9-14(13)17(18,19)20/h3-4,9-11,15,21-22H,2,5-8H2,1H3/t10-,11+,15-,16-/m0/s1","","2015-09-04","2016-04-29","(1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol","2016-05-04"],["HP0","(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid","C20 H30 N2 O3","O=C(O)C1N(CC2CCCCC2C1)CC(O)C(N)Cc3ccccc3;N[CH](Cc1ccccc1)[CH](O)CN2C[CH]3CCCC[CH]3C[CH]2C(O)=O;c1ccc(cc1)CC(C(CN2CC3CCCCC3CC2C(=O)O)O)N","InChI=1S/C20H30N2O3/c21-17(10-14-6-2-1-3-7-14)19(23)13-22-12-16-9-5-4-8-15(16)11-18(22)20(24)25/h1-3,6-7,15-19,23H,4-5,8-13,21H2,(H,24,25)/t15-,16+,17-,18-,19+/m0/s1","","2010-10-09","2011-06-04","(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid",""],["5CF","5-fluorocytidine 5'-(dihydrogen phosphate)","C9 H13 F N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)C(O)C2O;NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)F","InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2009-10-05","2011-06-04","5-fluorocytidine 5'-(dihydrogen phosphate)",""],["HP1","~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide","C31 H41 N11 O6","CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3n(C)cc(NC(=O)c4nccn4C)c3O)cn2C)cn1C;Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C","InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-29(46)23-15-20(17-41(23)5)36-30(47)25-26(44)21(18-42(25)6)37-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,46)(H,36,47)(H,37,48)","IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE","1999-07-08","2021-03-01","~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide",""],["5CG","5'-CHLORO-5'-DEOXY-GUANOSINE","C10 H12 Cl N5 O4","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CCl;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CCl)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)CCl)O)O)N=C(NC2=O)N","InChI=1S/C10H12ClN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1","","2002-07-25","2011-06-04","5'-chloro-5'-deoxyguanosine",""],["HP2","HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE","C31 H41 N11 O6","O=C(Nc3cc(C(=O)Nc2c(O)c(C(=O)Nc1cc(C(=O)NCCC(=O)NCCCN(C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C;CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2n(C)cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)c2O)cn1C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C","InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-30(47)25-26(44)21(18-42(25)6)37-29(46)23-15-20(17-41(23)5)36-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,47)(H,36,48)(H,37,46)","IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE","2000-07-25","2021-03-01","N-(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-4-hydroxy-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide",""],["5CH","5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine","C18 H15 Cl N2 O2 S","O=S(=O)(c3ccc(c2cc(Cl)cnc2c1cnc(cc1)C)cc3)C;Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)[S](C)(=O)=O;Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C","InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3","","2008-03-06","2011-06-04","5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine",""],["HP3","2,3-PROPANDIOL","C3 H8 O2","OCC(O)C;C[CH](O)CO;CC(CO)O","InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","","1999-07-08","2008-10-14","(2R)-propane-1,2-diol",""],["5CI","8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine","C16 H19 Br N6 O9","O=C(O)CC(O)(C(=O)NCC3OC(n2c(Br)nc1c(ncnc12)N)C(O)C3O)CC(=O)O;Nc1ncnc2n([CH]3O[CH](CNC(=O)C(O)(CC(O)=O)CC(O)=O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N","InChI=1S/C16H19BrN6O9/c17-15-22-8-11(18)20-4-21-12(8)23(15)13-10(29)9(28)5(32-13)3-19-14(30)16(31,1-6(24)25)2-7(26)27/h4-5,9-10,13,28-29,31H,1-3H2,(H,19,30)(H,24,25)(H,26,27)(H2,18,20,21)/t5-,9-,10-,13-/m1/s1","","2012-01-06","2012-03-09","8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine",""],["HP4","phosphinate","H2 O2 P","[O-][PH2]=O;[O-][PH2]=O","InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/p-1","Hypophosphite","2016-11-14","2020-06-17","phosphinate","2017-11-29"],["5CJ","(1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol","C16 H19 F3 O2","CC32CCC(c1cc(c(O)c(F)c1F)F)CC3CCC2O;C[C]12CC[CH](C[CH]1CC[CH]2O)c3cc(F)c(O)c(F)c3F;CC12CCC(CC1CCC2O)c3cc(c(c(c3F)F)O)F","InChI=1S/C16H19F3O2/c1-16-5-4-8(6-9(16)2-3-12(16)20)10-7-11(17)15(21)14(19)13(10)18/h7-9,12,20-21H,2-6H2,1H3/t8-,9+,12-,16-/m0/s1","","2015-09-04","2016-04-29","(1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol","2016-05-04"],["5CK","(1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol","C16 H20 F2 O2","C1C(CCC2(C1CCC2O)C)c3ccc(O)c(F)c3F;C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)c(F)c3F;CC12CCC(CC1CCC2O)c3ccc(c(c3F)F)O","InChI=1S/C16H20F2O2/c1-16-7-6-9(8-10(16)2-5-13(16)20)11-3-4-12(19)15(18)14(11)17/h3-4,9-10,13,19-20H,2,5-8H2,1H3/t9-,10+,13-,16-/m0/s1","","2015-09-04","2016-04-29","(1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol","2016-05-04"],["HP5","Peroxidized Heme Form 2","C34 H32 Fe N4 O6","OOC(c3c(c2C=C1C(=C(CCC(=O)O)C7=N1[Fe]46n2c3C=C5N4=C(C(=C5C)[C@H]=C)C=C8N6C(=C7)C(=C8C)CCC(O)=O)C)C)=C;CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(c3C)C(=C)OO)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C;Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C","InChI=1S/C34H34N4O6.Fe/c1-7-21-16(2)26-14-31-34(20(6)44-43)19(5)27(38-31)12-24-17(3)22(8-10-32(39)40)29(36-24)15-30-23(9-11-33(41)42)18(4)25(37-30)13-28(21)35-26;/h7,12-15H,1,6,8-11H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-12-,25-13-,26-14-,27-12-,28-13-,29-15?,30-15-,31-14-;","","2016-08-10","2016-08-18","{3,3'-[7-ethenyl-12-(1-hydroperoxyethenyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]di(propanoato)(2-)}iron","2016-08-23"],["HP6","HEPTANE","C7 H16","CCCCCCC;CCCCCCC;CCCCCCC","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","","2005-08-16","2011-06-04","heptane",""],["5CL","1,2,3,4,5-PENTACHLOROBENZENE","C6 H Cl5","Clc1cc(Cl)c(Cl)c(Cl)c1Cl;Clc1cc(Cl)c(Cl)c(Cl)c1Cl;c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H","","2006-04-26","2011-06-04","1,2,3,4,5-pentachlorobenzene",""],["HP7","(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid","C17 H25 N3 O18 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O","InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1","","2010-08-05","2011-06-04","(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["5CM","5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C10 H16 N3 O7 P","O=C1N=C(N)C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate)",""],["HP8","5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine","C17 H18 N6 O9 S","O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(O)c4O)[CH](O)[CH]3O;c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1","5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine","2010-08-03","2020-06-17","5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine",""],["5CN","5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE","C19 H21 N3 O3","N#Cc3oc(C(=O)Nc2cc(ccc2N1CCC(C)CC1)CO)cc3;CC1CCN(CC1)c2ccc(CO)cc2NC(=O)c3oc(cc3)C#N;CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO","InChI=1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24)","","2006-08-14","2011-06-04","5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide",""],["5CO","5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","C20 H27 Cl N4 O4 S","O=S(=O)(c2cc(C1=NC(=C(Cl)C(=O)N1)CC)c(OCCC)cc2)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(Cl)C(=O)N2)CC)[S](=O)(=O)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C","InChI=1S/C20H27ClN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)","","2011-07-06","2011-08-19","5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one",""],["HP9","(2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid","C16 H12 F N O4","N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c2c1)C(O)=O;c1cc2c(cc1CC(C(=O)O)N)C(=O)c3cc(ccc3O2)F","InChI=1S/C16H12FNO4/c17-9-2-4-14-11(7-9)15(19)10-5-8(1-3-13(10)22-14)6-12(18)16(20)21/h1-5,7,12H,6,18H2,(H,20,21)/t12-/m0/s1","","2021-01-26","2024-09-27","(2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid","2022-07-27"],["HPA","HYPOXANTHINE","C5 H4 N4 O","O=C1c2c(N=CN1)ncn2;O=C1NC=Nc2nc[nH]c12;c1[nH]c2c(n1)N=CNC2=O","InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)","","1999-07-08","2011-06-04","1,7-dihydro-6H-purin-6-one",""],["5CP","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile","C19 H20 N8","N#CCc1ccc(cc1)Nc2nc(NC)cc(n2)Nc3nnc(c3)C4CC4;CNc1cc(Nc2cc([nH]n2)C3CC3)nc(Nc4ccc(CC#N)cc4)n1;CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4","InChI=1S/C19H20N8/c1-21-16-11-17(23-18-10-15(26-27-18)13-4-5-13)25-19(24-16)22-14-6-2-12(3-7-14)8-9-20/h2-3,6-7,10-11,13H,4-5,8H2,1H3,(H4,21,22,23,24,25,26,27)","","2007-11-29","2011-06-04","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile",""],["5CQ","(1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol","C17 H24 O2","c1c(O)cc(c(c1)C2CC3C(CC2)(C)C(CC3)O)C;Cc1cc(O)ccc1[CH]2CC[C]3(C)[CH](O)CC[CH]3C2;Cc1cc(ccc1C2CCC3(C(C2)CCC3O)C)O","InChI=1S/C17H24O2/c1-11-9-14(18)4-5-15(11)12-7-8-17(2)13(10-12)3-6-16(17)19/h4-5,9,12-13,16,18-19H,3,6-8,10H2,1-2H3/t12-,13+,16-,17-/m0/s1","","2015-09-04","2016-04-29","(1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol","2016-05-04"],["HPB","2-HYDROXY-3-AMINO-4-PHENYL BUTANE","C10 H15 N O","OC(C(N)Cc1ccccc1)C;C[CH](O)[CH](N)Cc1ccccc1;CC(C(Cc1ccccc1)N)O","InChI=1/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10+/m1/s1","","1999-07-08","2008-10-14","(2R,3S)-3-amino-4-phenylbutan-2-ol",""],["HPC","3-AMINO-4-PHENYL-BUTAN-2-ONE","C10 H13 N O","O=C(C(N)Cc1ccccc1)C;CC(=O)[CH](N)Cc1ccccc1;CC(=O)C(Cc1ccccc1)N","InChI=1/C10H13NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7,11H2,1H3/t10-/m0/s1","","1999-09-07","2009-01-07","(3S)-3-amino-4-phenylbutan-2-one",""],["5CR","N-acetyl-L-phenylalanine","C11 H13 N O3","CC(=O)N[CH](Cc1ccccc1)C(O)=O;CC(=O)NC(Cc1ccccc1)C(=O)O","InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1","","2015-10-12","2025-05-15","(2S)-2-acetamido-3-phenyl-propanoic acid","2016-11-16"],["HPD","1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE","C5 H13 O7 P","O=P(O)(O)OCC(O)C(O)CCO;OCC[CH](O)[CH](O)CO[P](O)(O)=O;C(CO)C(C(COP(=O)(O)O)O)O","InChI=1S/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1","OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE","2001-06-20","2024-09-27","2-deoxy-5-O-phosphono-D-erythro-pentitol",""],["5CS","2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDIN-5-YL-ACETIC ACID","C8 H15 N3 O5 S","O=C(O)C(N)C1ONC(SCC(N)C(=O)O)C1;N[CH](CS[CH]1C[CH](ON1)[CH](N)C(O)=O)C(O)=O;C1C(ONC1SCC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4+,5+,6-/m0/s1","","2003-04-10","2024-09-27","S-{(3R,5R)-5-[(S)-amino(carboxy)methyl]isoxazolidin-3-yl}-L-cysteine",""],["5CT","Hypusine","C10 H23 N3 O3","C(CCNCC(O)CCN)CC(C(=O)O)N;NCC[CH](O)CNCCCC[CH](N)C(O)=O;C(CCNCC(CCN)O)CC(C(=O)O)N","InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1","N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine","2015-09-07","2024-09-27","N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine","2016-01-20"],["HPE","HOMOPHENYLALANINE","C10 H13 N O2","O=C(O)C(N)CCc1ccccc1;N[CH](CCc1ccccc1)C(O)=O;c1ccc(cc1)CCC(C(=O)O)N","InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-phenylbutanoic acid",""],["HPF","1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE","C9 H14 N O7 P","O=P(O)(O)OCC(O)C(O)Nc1ccccc1O;O[CH](CO[P](O)(O)=O)[CH](O)Nc1ccccc1O;c1ccc(c(c1)NC(C(COP(=O)(O)O)O)O)O","InChI=1S/C9H14NO7P/c11-7-4-2-1-3-6(7)10-9(13)8(12)5-17-18(14,15)16/h1-4,8-13H,5H2,(H2,14,15,16)/t8-,9-/m1/s1","","2004-06-09","2011-06-04","(2R,3R)-2,3-dihydroxy-3-[(2-hydroxyphenyl)amino]propyl dihydrogen phosphate",""],["5CU","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid","C5 H4 N2 O4","O=C1C(C(=O)O)=CNC(=O)N1;OC(=O)C1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)C(=O)O","InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)","","2013-07-04","2013-09-27","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid","2013-10-02"],["HPG","HYDROXYPROPYLOXY GROUP","C3 H8 O2","OCCCO;OCCCO;C(CO)CO","InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","","1999-07-08","2008-10-14","propane-1,3-diol",""],["5CV","1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide","C31 H34 N6 O3","C=3(C=C(c1nc2ccc(cc2c1)OCC(CN(C)C)(C)C)C(=O)NC=3)NC(c4cn(nc4)Cc5ccccc5)=O;CN(C)CC(C)(C)COc1ccc2[nH]c(cc2c1)C3=CC(=CNC3=O)NC(=O)c4cnn(Cc5ccccc5)c4;CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5","InChI=1S/C31H34N6O3/c1-31(2,19-36(3)4)20-40-25-10-11-27-22(12-25)13-28(35-27)26-14-24(16-32-30(26)39)34-29(38)23-15-33-37(18-23)17-21-8-6-5-7-9-21/h5-16,18,35H,17,19-20H2,1-4H3,(H,32,39)(H,34,38)","","2015-09-07","2015-10-09","1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide","2015-10-14"],["HPH","(2S)-2-amino-3-phenylpropane-1,1-diol","C9 H13 N O2","OC(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(O)O;c1ccc(cc1)CC(C(O)O)N","InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1","(2S)-2-amino-3-phenylpropane-1,1-diol","1999-07-08","2024-09-27","(2S)-2-amino-3-phenylpropane-1,1-diol",""],["5CW","5-chloro-L-tryptophan","C11 H11 Cl N2 O2","O=C(O)C(N)Cc2c1cc(Cl)ccc1nc2;N[CH](Cc1c[nH]c2ccc(Cl)cc12)C(O)=O;c1cc2c(cc1Cl)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1","","2013-12-09","2024-09-27","5-chloro-L-tryptophan","2014-03-05"],["HPI","N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE","C23 H27 N3 O6","O=C(O)CC(C(=O)N)NC(=O)C(NC(C(=O)O)CCc1ccccc1)Cc2ccccc2;NC(=O)[CH](CC(O)=O)NC(=O)[CH](Cc1ccccc1)N[CH](CCc2ccccc2)C(O)=O;c1ccc(cc1)CCC(C(=O)O)NC(Cc2ccccc2)C(=O)NC(CC(=O)O)C(=O)N","InChI=1S/C23H27N3O6/c24-21(29)18(14-20(27)28)26-22(30)19(13-16-9-5-2-6-10-16)25-17(23(31)32)12-11-15-7-3-1-4-8-15/h1-10,17-19,25H,11-14H2,(H2,24,29)(H,26,30)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1","","2004-08-17","2011-06-04","N-[(1S)-1-carboxy-3-phenylpropyl]-L-phenylalanyl-L-alpha-asparagine",""],["5CX","2'-(propan-2-yl)biphenyl-4-sulfonamide","C15 H17 N O2 S","S(=O)(N)(=O)c1ccc(cc1)c2ccccc2C(C)C;CC(C)c1ccccc1c2ccc(cc2)[S](N)(=O)=O;CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N","InChI=1S/C15H17NO2S/c1-11(2)14-5-3-4-6-15(14)12-7-9-13(10-8-12)19(16,17)18/h3-11H,1-2H3,(H2,16,17,18)","","2015-09-07","2016-01-15","2'-(propan-2-yl)biphenyl-4-sulfonamide","2016-01-20"],["HPJ","1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one","C22 H21 N3 O3","O=C4C=C(c1ccccc1)C=C(c2cc3ccn(c3nc2)CCCOC)N4O;COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4ccccc4;COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4","InChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3","","2012-08-24","2012-12-07","1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one","2012-12-07"],["5CY","1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y\nl}-3,3-dimethyl-3H-indolium","C31 H39 N2 O2","OCCC[N+]=2c1ccccc1C(C=2C=CC=CC=C4N(c3ccccc3C4(C)C)CCCO)(C)C;CC1(C)C(=CC=CC=CC2=[N+](CCCO)c3ccccc3C2(C)C)N(CCCO)c4ccccc14;CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3CCCO)(C)C)CCCO)C","InChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1","N,N'-(dipropyl)-tetramethylindodicarbocyanine","2013-04-17","2020-06-17","1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-3H-indolium",""],["HPK","(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE","C12 H9 O4","O=C(c1ccccc1)CC=CC(=O)C([O-])=O;[O-]C(=O)C(=O)C=CCC(=O)c1ccccc1;c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-]","InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+","","2007-05-14","2011-06-04","(3E)-2,6-dioxo-6-phenylhex-3-enoate",""],["5CZ","2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide","C22 H19 N5 O","c1(ccc(cc1)Oc2ccc(cc2)C(=[N@H])N)c3cc4c(n3)cc(cc4)/C(N)=N;NC(=N)c1ccc(Oc2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N)cc1;c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)Oc4ccc(cc4)C(=N)N","InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)","","2015-09-07","2016-01-15","2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide","2016-01-20"],["5D0","2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine","C25 H32 N4 O2","C(Oc2ccc(C=1NCCCN=1)cc2)CCCCOc3ccc(cc3)C4=NCCCN4;C(CCOc1ccc(cc1)C2=NCCCN2)CCOc3ccc(cc3)C4=NCCCN4;c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4","InChI=1S/C25H32N4O2/c1(2-18-30-22-10-6-20(7-11-22)24-26-14-4-15-27-24)3-19-31-23-12-8-21(9-13-23)25-28-16-5-17-29-25/h6-13H,1-5,14-19H2,(H,26,27)(H,28,29)","","2015-09-07","2016-01-15","2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine","2016-01-20"],["HPL","HEPTYLFORMAMIDE","C8 H17 N O","O=CNCCCCCCC;CCCCCCCNC=O;CCCCCCCNC=O","InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)","N-HEPTYLFORMAMIDE","2004-07-25","2020-06-17","N-heptylformamide",""],["HPM","N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE","C28 H31 N7 O4","O=C(c1ccccc1)Nc2ncc(cn2)Nc5ncnc4cc(OCC(O)CN3CCCCC3)c(OC)cc45;COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[CH](O)CN5CCCCC5;COc1cc2c(cc1OCC(CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5","InChI=1S/C28H31N7O4/c1-38-24-12-22-23(13-25(24)39-17-21(36)16-35-10-6-3-7-11-35)31-18-32-26(22)33-20-14-29-28(30-15-20)34-27(37)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,18,21,36H,3,6-7,10-11,16-17H2,1H3,(H,31,32,33)(H,29,30,34,37)/t21-/m0/s1","","2005-11-09","2011-06-04","N-{5-[(7-{[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide",""],["5D1","N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide","C28 H35 N3 O3","Cc1cc(ccc1)CN2CCC(CC2)CNC(=O)CCCOC=4c3ccccc3N(C(C=4)=O)C;CN1C(=O)C=C(OCCCC(=O)NCC2CCN(CC2)Cc3cccc(C)c3)c4ccccc14;Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C","InChI=1S/C28H35N3O3/c1-21-7-5-8-23(17-21)20-31-14-12-22(13-15-31)19-29-27(32)11-6-16-34-26-18-28(33)30(2)25-10-4-3-9-24(25)26/h3-5,7-10,17-18,22H,6,11-16,19-20H2,1-2H3,(H,29,32)","","2015-09-07","2016-05-27","N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide","2016-06-01"],["HPN","HEPTANAMIDE","C7 H15 N O","O=C(N)CCCCCC;CCCCCCC(N)=O;CCCCCCC(=O)N","InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)","","2003-02-13","2011-06-04","heptanamide",""],["5D2","N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide","C25 H33 Cl N8 O","c1c(Cl)cccc1N2CCN(CC2)CCCNC(=O)C3CCN(CC3)c4ccc5n(n4)c(C)nn5;Cc1nnc2ccc(nn12)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(Cl)c5;Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl","InChI=1S/C25H33ClN8O/c1-19-28-29-23-6-7-24(30-34(19)23)33-12-8-20(9-13-33)25(35)27-10-3-11-31-14-16-32(17-15-31)22-5-2-4-21(26)18-22/h2,4-7,18,20H,3,8-17H2,1H3,(H,27,35)","","2015-09-07","2016-05-27","N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide","2016-06-01"],["HPO","2-OXOHEPTYLPHOSPHONIC ACID","C7 H15 O4 P","O=C(CCCCC)CP(=O)(O)O;CCCCCC(=O)C[P](O)(O)=O;CCCCCC(=O)CP(=O)(O)O","InChI=1S/C7H15O4P/c1-2-3-4-5-7(8)6-12(9,10)11/h2-6H2,1H3,(H2,9,10,11)","","2005-01-31","2011-06-04","(2-oxoheptyl)phosphonic acid",""],["5D3","10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine","C20 H17 N5 O2 S3","CCc1ccc(cc1)[S](=O)(=O)c2nnn3c4ccsc4c(NCc5sccc5)nc23;CCc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)NCc5cccs5","InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)","","2021-07-08","2023-09-29","10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine","2023-10-04"],["HPP","HYDROXYPHENYL PROPIONIC ACID","C9 H10 O3","O=C(O)CCc1ccc(O)cc1;OC(=O)CCc1ccc(O)cc1;c1cc(ccc1CCC(=O)O)O","InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)","","1999-07-08","2011-06-04","3-(4-hydroxyphenyl)propanoic acid",""],["5D4","N-(6-ACETAMIDOHEXYL)ACETAMIDE","C10 H20 N2 O2","CC(=O)NCCCCCCNC(C)=O;CC(=O)NCCCCCCNC(=O)C","InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)","","2015-07-03","2016-03-11","N-(6-acetamidohexyl)ethanamide","2016-03-16"],["5D5","2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid","C26 H45 N O6 S","C1C4(C(CC(C1)O)CC(O)C3C2C(C(C(CCC(=O)NCCS(=O)(O)=O)C)CC2)(C)CCC34)C;C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1","","2015-09-08","2016-04-08","2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid","2016-04-13"],["HPQ","HOMOPHENYLALANINYLMETHANE","C11 H15 N O","O=C(C(N)CCc1ccccc1)C;CC(=O)[CH](N)CCc1ccccc1;CC(=O)C(CCc1ccccc1)N","InChI=1S/C11H15NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1","","2000-05-03","2011-06-04","(3S)-3-amino-5-phenylpentan-2-one",""],["HPR","6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE","C10 H14 N4 O5","Oc3ncnc1c3NCN1C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2CNc3c(O)ncnc23;c1nc2c(c(n1)O)NCN2C3C(C(C(O3)CO)O)O","InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","9-beta-D-ribofuranosyl-8,9-dihydro-7H-purin-6-ol",""],["5D6","orthoformimycin","C25 H37 N3 O10","O1C(OC3C1C(C(C(NC(=O)C(=[C@H]c2ccc(cc2)N(C)C)C)C3N(C)C)O)O)OC(C(O)CO)C(=O)O;CN(C)[CH]1[CH](NC(=O)C(C)=Cc2ccc(cc2)N(C)C)[CH](O)[CH](O)[CH]3O[CH](O[CH]13)O[CH]([CH](O)CO)C(O)=O;CC(=Cc1ccc(cc1)N(C)C)C(=O)NC2C(C3C(C(C2O)O)OC(O3)OC(C(CO)O)C(=O)O)N(C)C","InChI=1S/C25H37N3O10/c1-12(10-13-6-8-14(9-7-13)27(2)3)23(33)26-16-17(28(4)5)21-22(19(32)18(16)31)38-25(37-21)36-20(24(34)35)15(30)11-29/h6-10,15-22,25,29-32H,11H2,1-5H3,(H,26,33)(H,34,35)/b12-10+/t15-,16-,17+,18-,19+,20-,21-,22+,25+/m0/s1","","2015-09-08","2016-09-30","(2S,3S)-2-{[(2R,3aS,4R,5S,6S,7R,7aR)-4-(dimethylamino)-5-({(2E)-3-[4-(dimethylamino)phenyl]-2-methylprop-2-enoyl}amino)-6,7-dihydroxyhexahydro-1,3-benzodioxol-2-yl]oxy}-3,4-dihydroxybutanoic acid","2016-10-05"],["5D7","prop-2-en-1-yl 2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate","C12 H19 N5 O2 S","O=C(OC[C@H]=C)c1csc(n1)C(CCCN/C(N)=N)N;N[CH](CCCNC(N)=N)c1scc(n1)C(=O)OCC=C;C=CCOC(=O)c1csc(n1)C(CCCNC(=N)N)N","InChI=1S/C12H19N5O2S/c1-2-6-19-11(18)9-7-20-10(17-9)8(13)4-3-5-16-12(14)15/h2,7-8H,1,3-6,13H2,(H4,14,15,16)/t8-/m0/s1","","2015-09-08","2015-09-18","prop-2-en-1-yl 2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate","2015-09-23"],["HPS","PHENYL DIHYDROGEN PHOSPHATE","C6 H7 O4 P","O=P(Oc1ccccc1)(O)O;O[P](O)(=O)Oc1ccccc1;c1ccc(cc1)OP(=O)(O)O","InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)","PHENYLPHOSPHATE","2003-06-20","2021-03-01","phenyl dihydrogen phosphate",""],["HPT","6-HYDROXYPROPYLTHYMINE","C8 H12 N2 O3","O=C1NC(=C(C(=O)N1)C)CCCO;CC1=C(CCCO)NC(=O)NC1=O;CC1=C(NC(=O)NC1=O)CCCO","InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)","","2000-05-24","2011-06-04","6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["5D8","ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate","C18 H23 N7 O3 S2","c1c(nc(C(CCCN/C(N)=N)N)s1)c3oc(c(c2nc(cs2)C(=O)OCC)n3)C;CCOC(=O)c1csc(n1)c2nc(oc2C)c3csc(n3)[CH](N)CCCNC(N)=N;CCOC(=O)c1csc(n1)c2c(oc(n2)c3csc(n3)C(CCCNC(=N)N)N)C","InChI=1S/C18H23N7O3S2/c1-3-27-17(26)12-8-30-16(24-12)13-9(2)28-14(25-13)11-7-29-15(23-11)10(19)5-4-6-22-18(20)21/h7-8,10H,3-6,19H2,1-2H3,(H4,20,21,22)/t10-/m0/s1","","2015-09-08","2015-09-18","ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate","2015-09-23"],["HPU","N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide","C18 H16 N2 O4 S","O=C3C=C(c1ccccc1)C=C(c2cccc(NS(=O)(=O)C)c2)N3O;C[S](=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3;CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3","InChI=1S/C18H16N2O4S/c1-25(23,24)19-16-9-5-8-14(10-16)17-11-15(12-18(21)20(17)22)13-6-3-2-4-7-13/h2-12,19,22H,1H3","","2012-11-14","2013-11-01","N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide","2013-11-06"],["5D9","ethyl 2-(2-{2-[(1S)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate","C19 H25 N7 O3 S2","O=C(c1nc(sc1)c2nc(oc2C)c3csc(n3)C(CCCN/C(N)=N)NC)OCC;CCOC(=O)c1csc(n1)c2nc(oc2C)c3csc(n3)[CH](CCCNC(N)=N)NC;CCOC(=O)c1csc(n1)c2c(oc(n2)c3csc(n3)C(CCCNC(=N)N)NC)C","InChI=1S/C19H25N7O3S2/c1-4-28-18(27)13-9-31-17(25-13)14-10(2)29-15(26-14)12-8-30-16(24-12)11(22-3)6-5-7-23-19(20)21/h8-9,11,22H,4-7H2,1-3H3,(H4,20,21,23)/t11-/m0/s1","","2015-09-08","2015-09-18","ethyl 2-(2-{2-[(1S)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate","2015-09-23"],["HPV","2-oxo-3-(phosphonooxy)propanoic acid","C3 H5 O7 P","O=P(O)(O)OCC(=O)C(=O)O;OC(=O)C(=O)CO[P](O)(O)=O;C(C(=O)C(=O)O)OP(=O)(O)O","InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)","Hydroxypyruvic acid phosphate","2008-06-09","2020-06-17","2-oxo-3-(phosphonooxy)propanoic acid",""],["5DA","1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine","C24 H27 N9 O3 S2","N=C(/N)NCCCC(c1scc(n1)c2nc(c(o2)C)c3scc(n3)c4nc(c(o4)C)c5oc(cn5)C)NC;CN[CH](CCCNC(N)=N)c1scc(n1)c2oc(C)c(n2)c3scc(n3)c4oc(C)c(n4)c5oc(C)cn5;Cc1cnc(o1)c2c(oc(n2)c3csc(n3)c4c(oc(n4)c5csc(n5)C(CCCNC(=N)N)NC)C)C","InChI=1S/C24H27N9O3S2/c1-11-8-29-21(34-11)17-12(2)35-19(32-17)16-10-38-23(31-16)18-13(3)36-20(33-18)15-9-37-22(30-15)14(27-4)6-5-7-28-24(25)26/h8-10,14,27H,5-7H2,1-4H3,(H4,25,26,28)/t14-/m0/s1","","2015-09-08","2015-09-18","1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine","2015-09-23"],["HPW","N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide","C19 H19 N3 O6 S2","O=C3C=C(c1ccccc1)C=C(c2cc(NS(=O)(=O)C)cc(NS(=O)(=O)C)c2)N3O;C[S](=O)(=O)Nc1cc(N[S](C)(=O)=O)cc(c1)C2=CC(=CC(=O)N2O)c3ccccc3;CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3","InChI=1S/C19H19N3O6S2/c1-29(25,26)20-16-8-15(9-17(12-16)21-30(2,27)28)18-10-14(11-19(23)22(18)24)13-6-4-3-5-7-13/h3-12,20-21,24H,1-2H3","","2012-11-14","2013-11-01","N,N'-[5-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)benzene-1,3-diyl]dimethanesulfonamide","2013-11-06"],["5DB","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1H)-one","C11 H17 N2 O8 P","P(O)(O)(OCC1OC(CC1O)N2C(N=C(C(=C2)C)OC)=O)=O;COC1=NC(=O)N(C=C1C)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CC1=CN(C(=O)N=C1OC)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c1-6-4-13(11(15)12-10(6)19-2)9-3-7(14)8(21-9)5-20-22(16,17)18/h4,7-9,14H,3,5H2,1-2H3,(H2,16,17,18)/t7-,8+,9+/m0/s1","","2015-09-08","2016-08-05","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1H)-one","2016-08-10"],["HPX","(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID","C12 H10 O4","O=C(C=CC=C(/O)C(=O)O)c1ccccc1;OC(=O)C(O)=CC=CC(=O)c1ccccc1;c1ccc(cc1)C(=O)C=CC=C(C(=O)O)O","InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8-","","2006-06-29","2012-01-05","(2Z,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid",""],["5DD","[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C18 H24 N3 O9 P","Cc1cc2C[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3C2)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C18H24N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-4,11,13-15,22-24H,5-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,13+,14-,15+/m1/s1","","2018-10-31","2024-09-27","[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2019-05-29"],["HPY","4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE","C4 H6 N2 O2","O=C1NC(O)C=CN1;O[CH]1NC(=O)NC=C1;C1=CNC(=O)NC1O","InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1","","2001-10-23","2011-06-04","(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one",""],["5DE","1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","C14 H17 N3 O2","O=C(OCC)c2c(nn(c1ccc(N)cc1)c2C)C;CCOC(=O)c1c(C)nn(c1C)c2ccc(N)cc2;CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C","InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3","","2004-11-23","2011-06-04","ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate",""],["5DF","4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol","C18 H16 N2 O3 S","c1(ccc(cc1)O)c2cc(c(nc2)N)c3ccc(cc3)S(=O)(=O)C;C[S](=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)cc3;CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O","InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20)","","2015-09-09","2016-01-08","4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol","2016-01-13"],["HPZ","(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID","C12 H10 O4","O=C(C=CC=C(O)C(=O)O)c1ccccc1;OC(=O)C(O)=CC=CC(=O)c1ccccc1;c1ccc(cc1)C(=O)C=CC=C(C(=O)O)O","InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8+","","2007-05-15","2011-06-04","(2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid",""],["HQ","2-HEPTYL-1,4-DIHYDROXY-QUINOLINIUM","C16 H21 N O2","[O-][n+]2c1ccccc1c(O)cc2CCCCCCC;CCCCCCCc1cc(O)c2ccccc2[n+]1[O-];CCCCCCCc1cc(c2ccccc2[n+]1[O-])O","InChI=1/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3","","2002-01-18","2008-10-14","2-heptylquinolin-4-ol 1-oxide",""],["5DG","4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol","C27 H22 F N O2","CC(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(F)cc4;CC(c1cccc(Nc2ccc(F)cc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4;CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F","InChI=1S/C27H22FNO2/c1-18(21-3-2-4-24(17-21)29-23-11-9-22(28)10-12-23)27(19-5-13-25(30)14-6-19)20-7-15-26(31)16-8-20/h2-17,29-31H,1H3","","2015-09-09","2016-04-29","4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol","2016-05-04"],["HQ0","1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid","C9 H12 N2 O2","Cc1cnc(n1CCC=C)C(O)=O;Cc1cnc(n1CCC=C)C(=O)O","InChI=1S/C9H12N2O2/c1-3-4-5-11-7(2)6-10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)","","2021-01-26","2022-01-21","1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid","2022-01-26"],["5DH","3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile","C21 H15 N O2","N#CC(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3;Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3;c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N","InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H","","2015-09-09","2016-04-29","3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile","2016-05-04"],["HQ2","8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid","C14 H15 N3 O3","O=C(O)c2c1cc(cnc1c(O)cc2)N3CCNCC3;OC(=O)c1ccc(O)c2ncc(cc12)N3CCNCC3;c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O","InChI=1S/C14H15N3O3/c18-12-2-1-10(14(19)20)11-7-9(8-16-13(11)12)17-5-3-15-4-6-17/h1-2,7-8,15,18H,3-6H2,(H,19,20)","","2011-05-11","2012-05-04","8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid",""],["5DI","alpha-D-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride","C6 H9 F O5","O=C1C(O)C(O)C(F)(OC1)CO;OC[C]1(F)OCC(=O)[CH](O)[CH]1O;C1C(=O)C(C(C(O1)(CO)F)O)O","InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6+/m1/s1","2-OXO-1,2,DIDEOXY-5F-D-IDOPYRANOSE; alpha-D-threo-hexo-2,5-diulo-2,6-syl fluoride; D-threo-hexo-2,5-diulo-2,6-syl\nfluoride; threo-hexo-2,5-diulo-2,6-syl fluoride","2012-03-14","2020-07-17","alpha-D-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride","2013-03-27"],["HQ3","5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid","C12 H12 N2 O2","Cc1cnc(n1Cc2ccccc2)C(O)=O;Cc1cnc(n1Cc2ccccc2)C(=O)O","InChI=1S/C12H12N2O2/c1-9-7-13-11(12(15)16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)","","2021-01-27","2022-01-21","5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid","2022-01-26"],["5DJ","4,4'-(2-phenylethene-1,1-diyl)diphenol","C20 H16 O2","c1c(ccc(c1)O)C(c2ccc(O)cc2)=[C@H]c3ccccc3;Oc1ccc(cc1)C(=Cc2ccccc2)c3ccc(O)cc3;c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O","InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H","","2015-09-09","2016-04-29","4,4'-(2-phenylethene-1,1-diyl)diphenol","2016-05-04"],["HQ5"," 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine","C15 H25 N5 O8 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)N","InChI=1S/C15H25N5O8S/c1-7(2)5-8(16)13(23)19-29(25,26)27-6-9-11(21)12(22)14(28-9)20-4-3-10(17)18-15(20)24/h3-4,7-9,11-12,14,21-22H,5-6,16H2,1-2H3,(H,19,23)(H2,17,18,24)/t8-,9+,11+,12+,14+/m0/s1","","2018-12-14","2019-04-12","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2019-04-17"],["5DK","(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine","C14 H22 N5 O7 P","c1(C)ncc(c(c1O)/C=N/C(CCCN/C(N)=N)C(O)=O)COP(O)(O)=O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCCNC(N)=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCCNC(=N)N)C(=O)O)O","InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m1/s1","PLP-DArg","2015-09-09","2021-03-01","(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine","2015-11-25"],["5DL","[(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid","C5 H10 N3 O4 P","n1cncn1CC(CP(O)(O)=O)O;O[CH](Cn1cncn1)C[P](O)(O)=O;c1ncn(n1)CC(CP(=O)(O)O)O","InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m0/s1","(S)-C348","2015-09-10","2021-03-01","[(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid","2016-09-28"],["HQ6","N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide","C9 H18 N2 O5","O=C(NC1C(O)C(O)C(NCC1O)CO)C;CC(=O)N[CH]1[CH](O)CN[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(CNC(C(C1O)O)CO)O","InChI=1S/C9H18N2O5/c1-4(13)11-7-6(14)2-10-5(3-12)8(15)9(7)16/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)/t5-,6-,7+,8-,9-/m1/s1","","2008-12-17","2011-06-04","N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide",""],["5DM","N-[(2S)-2-amino-3-phenylpropyl]-D-methionine","C14 H22 N2 O2 S","O=C(O)C(NCC(N)Cc1ccccc1)CCSC;CSCC[CH](NC[CH](N)Cc1ccccc1)C(O)=O;CSCCC(C(=O)O)NCC(Cc1ccccc1)N","InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13+/m0/s1","","2011-02-17","2013-05-23","N-[(2S)-2-amino-3-phenylpropyl]-D-methionine",""],["HQ7","5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid","C26 H30 F N3 O5","c1c(OC)nc4c(c1)C(C(=O)Nc3cc2CCC(c2c(c3)F)(C)C)N(CC4)C(CCCC(O)=O)=O;COc1ccc2[CH](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(CCC4(C)C)c3;CC1(CCc2c1c(cc(c2)NC(=O)C3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C","InChI=1S/C26H30FN3O5/c1-26(2)11-9-15-13-16(14-18(27)23(15)26)28-25(34)24-17-7-8-20(35-3)29-19(17)10-12-30(24)21(31)5-4-6-22(32)33/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H,28,34)(H,32,33)/t24-/m1/s1","","2018-07-16","2019-07-12","5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid","2019-07-17"],["HQ8","(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol","C6 H12 O5","O[CH]1C[CH](O)[CH](O)C(O)[CH]1O;C1C(C(C(C(C1O)O)O)O)O","InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1","","2018-12-15","2024-09-27","(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol","2019-06-05"],["5DN","2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid","C16 H9 Br F N O2","OC(c1c3c(nc(c1)c2cc(ccc2)Br)c(F)ccc3)=O;OC(=O)c1cc(nc2c(F)cccc12)c3cccc(Br)c3;c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O","InChI=1S/C16H9BrFNO2/c17-10-4-1-3-9(7-10)14-8-12(16(20)21)11-5-2-6-13(18)15(11)19-14/h1-8H,(H,20,21)","","2015-09-10","2016-07-15","2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid","2016-07-20"],["HQ9","2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid","C8 H8 O4","O=C(O)CC1=CC(=O)C=CC1O;O[CH]1C=CC(=O)C=C1CC(O)=O;C1=CC(=O)C=C(C1O)CC(=O)O","InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,7,10H,4H2,(H,11,12)/t7-/m0/s1","","2012-11-30","2014-09-05","[(6S)-6-hydroxy-3-oxocyclohexa-1,4-dien-1-yl]acetic acid","2013-07-24"],["5DP","5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide","C27 H46 N2 O16","O=C1N(C(=O)CC1)CCCCC(=O)NCCOCCOCCOC3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCOCCOCCNC(=O)CCCCN3C(=O)CCC3=O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C27H46N2O16/c30-13-15-20(35)21(36)23(38)27(43-15)45-25-16(14-31)44-26(24(39)22(25)37)42-12-11-41-10-9-40-8-6-28-17(32)3-1-2-7-29-18(33)4-5-19(29)34/h15-16,20-27,30-31,35-39H,1-14H2,(H,28,32)/t15-,16-,20+,21-,22-,23+,24+,25-,26+,27-/m1/s1","","2008-03-13","2024-09-27","5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide",""],["HQA","3-(8-hydroxyquinolin-3-yl)-L-alanine","C12 H12 N2 O3","O=C(O)C(N)Cc1cc2cccc(O)c2nc1;N[CH](Cc1cnc2c(O)cccc2c1)C(O)=O;c1cc2cc(cnc2c(c1)O)CC(C(=O)O)N","InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1","","2008-12-10","2024-09-27","3-(8-hydroxyquinolin-3-yl)-L-alanine",""],["5DQ","N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE","C18 H17 F3 N4 O2 S","FC(F)(F)c1ccc(cc1)c2[nH]c3c(nccc3[S](=O)(=O)NC4CCCC4)n2;c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F","InChI=1S/C18H17F3N4O2S/c19-18(20,21)12-7-5-11(6-8-12)16-23-15-14(9-10-22-17(15)24-16)28(26,27)25-13-3-1-2-4-13/h5-10,13,25H,1-4H2,(H,22,23,24)","","2015-03-08","2015-05-08","N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-sulfonamide","2015-05-13"],["HQB","~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine","C12 H9 N5 O2","CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O;CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]","InChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)","","2018-12-16","2019-02-15","~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine","2019-02-20"],["5DR","6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine","C22 H22 N4 O","n3c(c(C#CCc2cc(c1ccccc1)ccc2OC)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#CCc2cc(ccc2OC)c3ccccc3;CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3","InChI=1S/C22H22N4O/c1-3-19-18(21(23)26-22(24)25-19)11-7-10-17-14-16(12-13-20(17)27-2)15-8-5-4-6-9-15/h4-6,8-9,12-14H,3,10H2,1-2H3,(H4,23,24,25,26)","","2011-06-08","2012-03-02","6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine",""],["HQC","3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID","C24 H25 N3 O6 S","O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c2nc3c(cc2)cccc3O;OC(=O)C[CH](NC(=O)[CH](CCCCNC(=O)c1ccc2cccc(O)c2n1)c3sccc3)C=O;c1cc2ccc(nc2c(c1)O)C(=O)NCCCCC(c3cccs3)C(=O)NC(CC(=O)O)C=O","InChI=1S/C24H25N3O6S/c28-14-16(13-21(30)31)26-23(32)17(20-8-4-12-34-20)6-1-2-11-25-24(33)18-10-9-15-5-3-7-19(29)22(15)27-18/h3-5,7-10,12,14,16-17,29H,1-2,6,11,13H2,(H,25,33)(H,26,32)(H,30,31)/t16-,17-/m0/s1","","2004-01-09","2024-09-27","(3S)-3-{[(2R)-6-{[(8-hydroxyquinolin-2-yl)carbonyl]amino}-2-thiophen-2-ylhexanoyl]amino}-4-oxobutanoic acid",""],["5DS","(R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE","C5 H11 N5 O2 S2","O=S(=O)(N)C(c1nnc(s1)N(C)C)N;CN(C)c1sc(nn1)[CH](N)[S](N)(=O)=O;CN(C)c1nnc(s1)C(N)S(=O)(=O)N","InChI=1S/C5H11N5O2S2/c1-10(2)5-9-8-4(13-5)3(6)14(7,11)12/h3H,6H2,1-2H3,(H2,7,11,12)/t3-/m1/s1","","2005-11-10","2011-06-04","(R)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide",""],["HQD","3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE","C10 H9 N O2","O=C2c1c(cccc1)NC(=C2O)C;CC1=C(O)C(=O)c2ccccc2N1;CC1=C(C(=O)c2ccccc2N1)O","InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)","","2009-05-20","2011-06-04","3-hydroxy-2-methylquinolin-4(1H)-one",""],["5DT","2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide","C21 H19 F3 N2 O2 S2","Fc1c(c(c(c(c1NCc2ccccc2)S(=O)(=O)N)F)F)SCCc3ccccc3;N[S](=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NCc3ccccc3;c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F","InChI=1S/C21H19F3N2O2S2/c22-16-17(23)21(30(25,27)28)19(26-13-15-9-5-2-6-10-15)18(24)20(16)29-12-11-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H2,25,27,28)","","2015-09-11","2016-09-23","2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide","2016-09-28"],["5DU","2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide","C17 H17 F3 N2 O3 S2","Fc1c(c(c(F)c(c1NC2CCc3c2cccc3)S(=O)(=O)N)F)SCCO;N[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1N[CH]2CCc3ccccc23;c1ccc2c(c1)CCC2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F","InChI=1S/C17H17F3N2O3S2/c18-12-13(19)17(27(21,24)25)15(14(20)16(12)26-8-7-23)22-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,22-23H,5-8H2,(H2,21,24,25)/t11-/m0/s1","","2015-09-11","2016-09-23","2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide","2016-09-28"],["HQE","benzene-1,4-diol","C6 H6 O2","Oc1ccc(O)cc1;Oc1ccc(O)cc1;c1cc(ccc1O)O","InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H","","2012-03-14","2024-09-27","benzene-1,4-diol",""],["5DV","methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate","C20 H19 Cl N3 O3 P","N#CCCc1cc(cc(c1)C)P(OC)(=O)c3c2cc(Cl)ccc2nc3C(=O)N;CO[P](=O)(c1cc(C)cc(CCC#N)c1)c2c([nH]c3ccc(Cl)cc23)C(N)=O;Cc1cc(cc(c1)P(=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N","InChI=1S/C20H19ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h5-6,8-11,24H,3-4H2,1-2H3,(H2,23,25)/t28-/m1/s1","","2015-09-11","2019-09-04","methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate","2016-02-17"],["HQF","1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid","C12 H10 N4 O2 S","Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1;c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N","InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)","","2021-01-27","2022-01-21","1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid","2022-01-26"],["HQG","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","C15 H24 N5 O17 P3","C2(C(C(C(COP(O)(=O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O2)O)O)n3c4c(nc3)c(ncn4)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[P](O)(O)=O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)OP(=O)(O)O)O)O)O)O)N","InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2018-07-16","2019-03-15","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2019-03-20"],["5DW","4-ethynyl-L-phenylalanine","C11 H11 N O2","C(c1ccc(CC(N)C(=O)O)cc1)#C;N[CH](Cc1ccc(cc1)C#C)C(O)=O;C#Cc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1","","2015-09-14","2024-09-27","4-ethynyl-L-phenylalanine","2016-02-03"],["HQH","Piericidin A","C25 H37 N O4","COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C;CC=C(C)C(C(C)C=C(C)C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O","InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1","","2018-12-16","2020-08-28","2,3-dimethoxy-5-methyl-6-[(2~{E},5~{E},7~{E},9~{R},10~{R},11~{E})-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]-1~{H}-pyridin-4-one","2020-09-02"],["5DX","5-[(2R)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid","C13 H12 Br N3 O4","C(O)(C(N)Cc2cc(C(=O)O)nn2c1ccc(Br)cc1)=O;N[CH](Cc1cc(nn1c2ccc(Br)cc2)C(O)=O)C(O)=O;c1cc(ccc1n2c(cc(n2)C(=O)O)CC(C(=O)O)N)Br","InChI=1S/C13H12BrN3O4/c14-7-1-3-8(4-2-7)17-9(5-10(15)12(18)19)6-11(16-17)13(20)21/h1-4,6,10H,5,15H2,(H,18,19)(H,20,21)/t10-/m1/s1","","2015-09-14","2016-09-09","5-[(2R)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid","2016-09-14"],["HQI","N-(8-hydroxyquinolin-5-yl)acetamide","C11 H10 N2 O2","CC(=O)Nc1ccc(O)c2ncccc12;CC(=O)Nc1ccc(c2c1cccn2)O","InChI=1S/C11H10N2O2/c1-7(14)13-9-4-5-10(15)11-8(9)3-2-6-12-11/h2-6,15H,1H3,(H,13,14)","8-hydroxyquinoline","2010-01-19","2020-06-17","N-(8-hydroxyquinolin-5-yl)ethanamide",""],["5DY","5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid","C16 H18 F N3 O4","NC(C(O)=O)Cc1cc(C(=O)O)nn1c2ccc(cc2)CCCF;N[CH](Cc1cc(nn1c2ccc(CCCF)cc2)C(O)=O)C(O)=O;c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)CC(C(=O)O)N","InChI=1S/C16H18FN3O4/c17-7-1-2-10-3-5-11(6-4-10)20-12(8-13(18)15(21)22)9-14(19-20)16(23)24/h3-6,9,13H,1-2,7-8,18H2,(H,21,22)(H,23,24)/t13-/m1/s1","","2015-09-14","2016-09-09","5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid","2016-09-14"],["HQJ","4-(3-chlorophenyl)-1H-imidazole","C9 H7 Cl N2","c1(cccc(c1)c2cncn2)Cl;Clc1cccc(c1)c2c[nH]cn2;c1cc(cc(c1)Cl)c2c[nH]cn2","InChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)","","2018-07-17","2018-11-09","4-(3-chlorophenyl)-1H-imidazole","2018-11-14"],["5DZ","5-[(2R)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid","C13 H12 F N3 O4","C(O)(=O)C(N)Cc2cc(C(=O)O)nn2c1ccc(F)cc1;N[CH](Cc1cc(nn1c2ccc(F)cc2)C(O)=O)C(O)=O;c1cc(ccc1n2c(cc(n2)C(=O)O)CC(C(=O)O)N)F","InChI=1S/C13H12FN3O4/c14-7-1-3-8(4-2-7)17-9(5-10(15)12(18)19)6-11(16-17)13(20)21/h1-4,6,10H,5,15H2,(H,18,19)(H,20,21)/t10-/m1/s1","","2015-09-14","2016-09-09","5-[(2R)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid","2016-09-14"],["HQK","Pyridaben","C19 H25 Cl N2 O S","CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C;CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl","InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3","","2018-12-16","2020-08-28","2-~{tert}-butyl-5-[(4-~{tert}-butylphenyl)methylsulfanyl]-4-chloranyl-pyridazin-3-one","2020-09-02"],["5E0","5-[(2R)-2-amino-2-carboxyethyl]-1-phenyl-1H-pyrazole-3-carboxylic acid","C13 H13 N3 O4","c1c(cccc1)n2c(CC(N)C(O)=O)cc(C(=O)O)n2;N[CH](Cc1cc(nn1c2ccccc2)C(O)=O)C(O)=O;c1ccc(cc1)n2c(cc(n2)C(=O)O)CC(C(=O)O)N","InChI=1S/C13H13N3O4/c14-10(12(17)18)6-9-7-11(13(19)20)15-16(9)8-4-2-1-3-5-8/h1-5,7,10H,6,14H2,(H,17,18)(H,19,20)/t10-/m1/s1","","2015-09-14","2016-09-09","5-[(2R)-2-amino-2-carboxyethyl]-1-phenyl-1H-pyrazole-3-carboxylic acid","2016-09-14"],["HQL","4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE","C22 H27 N5 O","O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4;C(CN1CCC(CC1)OC(c2ccccc2)c3ccccc3)Cc4[nH]nnn4;c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4","InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)","HQL-79","2005-06-15","2020-06-17","4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine",""],["5E1","2-(3-bromophenyl)quinoline-4-carboxylic acid","C16 H10 Br N O2","Brc1cccc(c1)c2cc(c3c(n2)cccc3)C(O)=O;OC(=O)c1cc(nc2ccccc12)c3cccc(Br)c3;c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O","InChI=1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)","","2015-09-15","2016-07-15","2-(3-bromophenyl)quinoline-4-carboxylic acid","2016-07-20"],["HQM","(1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid","C28 H37 N3 O3","CC(C)CN(C1CCCCC1)c3c(cc(C2C(C2)C(O)=O)cc3)NC(=O)Nc4ccc(cc4)C;CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(C)cc3)[CH]4C[CH]4C(O)=O;Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)C4CC4C(=O)O","InChI=1S/C28H37N3O3/c1-18(2)17-31(22-7-5-4-6-8-22)26-14-11-20(23-16-24(23)27(32)33)15-25(26)30-28(34)29-21-12-9-19(3)10-13-21/h9-15,18,22-24H,4-8,16-17H2,1-3H3,(H,32,33)(H2,29,30,34)/t23-,24-/m1/s1","","2018-07-17","2018-11-09","(1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid","2018-11-14"],["5E2","2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid","C16 H9 Br Cl N O2","c2(C(O)=O)cc(c1cc(ccc1)Br)nc3ccc(Cl)cc23;OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3;c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O","InChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)15-8-13(16(20)21)12-7-11(18)4-5-14(12)19-15/h1-8H,(H,20,21)","","2015-09-15","2016-07-15","2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid","2016-07-20"],["HQN","benzene-1,2,4-triol","C6 H6 O3","Oc1cc(O)c(O)cc1;Oc1ccc(O)c(O)c1;c1cc(c(cc1O)O)O","InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H","","2010-08-05","2011-08-12","benzene-1,2,4-triol",""],["5E3","~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide","C17 H18 N2 O5 S","CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12;CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC","InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3","","2021-08-17","2022-08-05","~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide","2022-08-10"],["5E4","2-[(3-bromophenyl)amino]benzoic acid","C13 H10 Br N O2","OC(=O)c1ccccc1Nc2cc(Br)ccc2;OC(=O)c1ccccc1Nc2cccc(Br)c2;c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br","InChI=1S/C13H10BrNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)","","2015-09-15","2015-11-20","2-[(3-bromophenyl)amino]benzoic acid","2015-11-25"],["HQO","2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE","C16 H21 N O2","[O-][n+]2c1ccccc1c(O)cc2CCCCCCC;CCCCCCCc1cc(O)c2ccccc2[n+]1[O-];CCCCCCCc1cc(c2ccccc2[n+]1[O-])O","InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3","2-HEPTYL-1-OXY-QUINOLIN-4-OL","2001-11-28","2021-03-01","2-heptylquinolin-4-ol 1-oxide",""],["5E5","3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine","C12 H10 N4","c1c3c(nnc3cnc1c2cnccc2)C;Cc1[nH]nc2cnc(cc12)c3cccnc3;Cc1c2cc(ncc2n[nH]1)c3cccnc3","InChI=1S/C12H10N4/c1-8-10-5-11(9-3-2-4-13-6-9)14-7-12(10)16-15-8/h2-7H,1H3,(H,15,16)","","2015-09-15","2015-10-23","3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine","2015-10-28"],["HQP","4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIENE-1-CARBONITRILE","C21 H17 N7","N#CC5C=C/C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5;N#CC1C=CC(C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2;c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5","InChI=1S/C21H17N7/c22-12-13-5-9-15(10-6-13)23-21-24-17-4-2-1-3-16(17)20(26-21)25-19-11-18(27-28-19)14-7-8-14/h1-6,9-11,13-14H,7-8H2,(H2,24,25,26,27,28)/b23-15-","","2006-11-16","2011-06-04","(1R,4Z)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile",""],["HQQ","5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE","C17 H14 N2 O4","O=C1NC(=O)NC(=O)C1(c3ccc(Oc2ccccc2)cc3)C;CC1(C(=O)NC(=O)NC1=O)c2ccc(Oc3ccccc3)cc2;CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3","InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)","","2000-11-08","2011-06-04","5-methyl-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione",""],["5E6","(1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine","C22 H23 N7","C1CCC(N)CC1Nc2cccc(n2)c5c4cc(c3cccnc3)ncc4nn5;N[CH]1CCC[CH](C1)Nc2cccc(n2)c3n[nH]c4cnc(cc34)c5cccnc5;c1cc(nc(c1)NC2CCCC(C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5","InChI=1S/C22H23N7/c23-15-5-1-6-16(10-15)26-21-8-2-7-18(27-21)22-17-11-19(14-4-3-9-24-12-14)25-13-20(17)28-29-22/h2-4,7-9,11-13,15-16H,1,5-6,10,23H2,(H,26,27)(H,28,29)/t15-,16-/m0/s1","","2015-09-15","2015-10-23","(1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine","2015-10-28"],["HQR","1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid","C9 H12 N2 O2","Cc1cn(CCC=C)c(n1)C(O)=O;Cc1cn(c(n1)C(=O)O)CCC=C","InChI=1S/C9H12N2O2/c1-3-4-5-11-6-7(2)10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)","","2021-01-27","2022-01-21","1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid","2022-01-26"],["5E7","N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","C36 H49 N5 O7 S","CN(S(=O)(C)=O)c2cc(C(=O)NC(Cc1ccccc1)C(CNC(C(C)O)C(=O)NCC(C)C)O)cc(c2)C(=O)NC(C)c3ccccc3;CC(C)CNC(=O)[CH](NC[CH](O)[CH](Cc1ccccc1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)[CH](C)O;CC(C)CNC(=O)C(C(C)O)NCC(C(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccccc3)O","InChI=1S/C36H49N5O7S/c1-23(2)21-38-36(46)33(25(4)42)37-22-32(43)31(17-26-13-9-7-10-14-26)40-35(45)29-18-28(19-30(20-29)41(5)49(6,47)48)34(44)39-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,31-33,37,42-43H,17,21-22H2,1-6H3,(H,38,46)(H,39,44)(H,40,45)/t24-,25+,31+,32-,33+/m1/s1","","2015-09-15","2016-02-12","N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","2016-02-17"],["HQS","N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide","C11 H12 Br F N6 O4 S2","C(Sc2c(C(Nc1ccc(F)c(c1)Br)=NO)non2)CNS(N)(=O)=O;N[S](=O)(=O)NCCSc1nonc1C(Nc2ccc(F)c(Br)c2)=NO;c1cc(c(cc1NC(=NO)c2c(non2)SCCNS(=O)(=O)N)Br)F","InChI=1S/C11H12BrFN6O4S2/c12-7-5-6(1-2-8(7)13)16-10(17-20)9-11(19-23-18-9)24-4-3-15-25(14,21)22/h1-2,5,15,20H,3-4H2,(H,16,17)(H2,14,21,22)","","2018-07-17","2018-11-09","N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide","2018-11-14"],["5E8","ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C21 H28 N2 O4","O=C1C(CCN1)CC(C=C/C(OCC)=O)NC(=O)C(Cc2ccccc2)C;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](C)Cc2ccccc2;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(C)Cc2ccccc2","InChI=1S/C21H28N2O4/c1-3-27-19(24)10-9-18(14-17-11-12-22-21(17)26)23-20(25)15(2)13-16-7-5-4-6-8-16/h4-10,15,17-18H,3,11-14H2,1-2H3,(H,22,26)(H,23,25)/t15-,17-,18+/m0/s1","","2015-09-16","2024-09-27","ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HQT","2-hydroxyisoquinoline-1(2H)-thione","C9 H7 N O S","S=C1c2ccccc2C=CN1O;ON1C=Cc2ccccc2C1=S;c1ccc2c(c1)C=CN(C2=S)O","InChI=1S/C9H7NOS/c11-10-6-5-7-3-1-2-4-8(7)9(10)12/h1-6,11H","","2014-04-29","2015-03-06","2-hydroxyisoquinoline-1(2H)-thione","2015-03-11"],["5E9","ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C26 H36 F N3 O5","C(CC(C(N)C(C)C)=O)(Cc1ccc(cc1)F)C(NC(/C=CC(=O)OCC)CC2CCNC2=O)=O;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(=O)[CH](N)C(C)C)Cc2ccc(F)cc2;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc2ccc(cc2)F)CC(=O)C(C(C)C)N","InChI=1S/C26H36FN3O5/c1-4-35-23(32)10-9-21(14-18-11-12-29-25(18)33)30-26(34)19(15-22(31)24(28)16(2)3)13-17-5-7-20(27)8-6-17/h5-10,16,18-19,21,24H,4,11-15,28H2,1-3H3,(H,29,33)(H,30,34)/t18-,19+,21+,24-/m0/s1","","2015-09-16","2024-09-27","ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HQU","3-HYDROXYQUINALDIC ACID","C10 H7 N O3","O=C(O)c1nc2ccccc2cc1O;OC(=O)c1nc2ccccc2cc1O;c1ccc2c(c1)cc(c(n2)C(=O)O)O","InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)","","1999-07-08","2024-09-27","3-hydroxyquinoline-2-carboxylic acid",""],["5EA","5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE","C20 H19 F3 I N5 O2","Ic1ccc(c(F)c1)Nc2c(F)c(F)ccc2c3nnc(o3)NCCN4CCOCC4;Fc1ccc(c(Nc2ccc(I)cc2F)c1F)c3oc(NCCN4CCOCC4)nn3;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4","InChI=1S/C20H19F3IN5O2/c21-14-3-2-13(18(17(14)23)26-16-4-1-12(24)11-15(16)22)19-27-28-20(31-19)25-5-6-29-7-9-30-10-8-29/h1-4,11,26H,5-10H2,(H,25,28)","","2004-02-10","2011-06-04","5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine",""],["HQV","(2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C19 H29 N3 O16 P2 S","C(C2C(C(C(N1C=CC(=O)NC1=O)O2)O)O)OP(OP(OC3C(C(O)C(O)C(CO)S3)NC([C@H]=CC)=O)(O)=O)(=O)O;CC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)S[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC=CC(=O)NC1C(C(C(SC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C19H29N3O16P2S/c1-2-3-10(24)20-12-15(28)14(27)9(6-23)41-18(12)37-40(33,34)38-39(31,32)35-7-8-13(26)16(29)17(36-8)22-5-4-11(25)21-19(22)30/h2-5,8-9,12-18,23,26-29H,6-7H2,1H3,(H,20,24)(H,31,32)(H,33,34)(H,21,25,30)/b3-2+/t8-,9-,12-,13-,14-,15-,16-,17-,18+/m1/s1","","2018-07-18","2024-09-27","(2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2019-11-06"],["5EB","ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C26 H35 N3 O5","C(Cc1ccccc1)(C(=O)NC(C=C/C(=O)OCC)CC2C(NCC2)=O)NC(=O)CCC3CC3;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)CCC3CC3;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)CCC3CC3","InChI=1S/C26H35N3O5/c1-2-34-24(31)13-11-21(17-20-14-15-27-25(20)32)28-26(33)22(16-19-6-4-3-5-7-19)29-23(30)12-10-18-8-9-18/h3-7,11,13,18,20-22H,2,8-10,12,14-17H2,1H3,(H,27,32)(H,28,33)(H,29,30)/t20-,21+,22-/m0/s1","","2015-09-16","2024-09-27","ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HQW","Aureothin","C22 H23 N O6","COC1=C(C)C(=O)C(=C(O1)[CH]2CC(CO2)=CC(C)=Cc3ccc(cc3)[N+]([O-])=O)C;CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=Cc3ccc(cc3)[N+](=O)[O-])C)CO2","InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1","","2018-12-16","2020-08-28","2-methoxy-3,5-dimethyl-6-[(2~{R},4~{Z})-4-[(~{E})-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one","2020-09-02"],["5EC","ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C25 H35 N3 O5","C(NC(CC(C)C)=O)(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)[C@H]=[C@H]C(OCC)=O;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)CC(C)C;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)CC(C)C","InChI=1S/C25H35N3O5/c1-4-33-23(30)11-10-20(16-19-12-13-26-24(19)31)27-25(32)21(28-22(29)14-17(2)3)15-18-8-6-5-7-9-18/h5-11,17,19-21H,4,12-16H2,1-3H3,(H,26,31)(H,27,32)(H,28,29)/t19-,20+,21-/m0/s1","","2015-09-16","2024-09-27","ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HQX","(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide","C11 H17 Br N2 O2","CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr;CCC(C)C(C(=O)NCC#CBr)NC(=O)C","InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1","","2022-02-07","2022-11-18","(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide","2022-11-23"],["5ED","ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C27 H36 N4 O6","N1CCC(C1=O)CC(NC(C(NC(C(=O)NCCC2CC2)=O)Cc3ccccc3)=O)C=[C@H]C(OCC)=O;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(=O)NCCC3CC3","InChI=1S/C27H36N4O6/c1-2-37-23(32)11-10-21(17-20-13-15-28-24(20)33)30-25(34)22(16-19-6-4-3-5-7-19)31-27(36)26(35)29-14-12-18-8-9-18/h3-7,10-11,18,20-22H,2,8-9,12-17H2,1H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t20-,21+,22-/m0/s1","","2015-09-16","2024-09-27","ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HQY","quinolin-8-ol","C9 H7 N O","Oc1cccc2cccnc12;Oc1cccc2cccnc12;c1cc2cccnc2c(c1)O","InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H","8-hydroxyquinoline","2009-10-28","2024-09-27","quinolin-8-ol",""],["5EE","5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE","C14 H10 Cl2 N2 O3 S4","O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Cl)c(Cl)c2)c3sccc3;Clc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl;c1cc(sc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(c(c3)Cl)Cl","InChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1","","2005-09-22","2024-09-27","N-[(5R)-5-(3,4-dichlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide",""],["HQZ","trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)","C3 H11 B N O5 S","O=S(=O)(NC([B-](O)(O)O)C)C;C[CH](N[S](C)(=O)=O)[B-](O)(O)O;[B-](C(C)NS(=O)(=O)C)(O)(O)O","InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1","","2012-08-01","2024-09-27","trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)","2013-08-21"],["5EF","3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","C17 H17 F3 N2 O5 S2","OCCS(=O)(c1c(c(c(S(=O)(=O)N)c(F)c1NC2CCc3c2cccc3)F)F)=O;N[S](=O)(=O)c1c(F)c(F)c(c(N[CH]2CCc3ccccc23)c1F)[S](=O)(=O)CCO;c1ccc2c(c1)CCC2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F","InChI=1S/C17H17F3N2O5S2/c18-12-13(19)17(28(24,25)8-7-23)15(14(20)16(12)29(21,26)27)22-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,22-23H,5-8H2,(H2,21,26,27)/t11-/m0/s1","","2015-09-16","2016-09-23","3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","2016-09-28"],["HR0","5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile","C11 H7 N5 O","Cc1nn2c3ncccc3c(O)nc2c1C#N;Cc1c(c2nc(c3cccnc3n2n1)O)C#N","InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)","","2021-01-28","2022-01-21","4-methyl-8-oxidanyl-2,3,7,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile","2022-01-26"],["5EG","2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide","C17 H15 Cl2 N7 O3","C(=O)(Cn1nnnc1COc2ccccc2Cl)NNC(=O)Nc3ccc(cc3)Cl;Clc1ccc(NC(=O)NNC(=O)Cn2nnnc2COc3ccccc3Cl)cc1;c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl","InChI=1S/C17H15Cl2N7O3/c18-11-5-7-12(8-6-11)20-17(28)23-22-16(27)9-26-15(21-24-25-26)10-29-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,22,27)(H2,20,23,28)","","2015-09-16","2016-06-10","2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide","2016-06-15"],["HR1","(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID","C33 H33 F N2 O5","O=C(O)CC(O)CC(O)CCc3c(c2c1c(cccc1)N(C(=O)c2n3C(C)C)c4ccccc4)c5ccc(F)cc5;CC(C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c3c4ccccc4N(C(=O)c13)c5ccccc5;CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C33H33FN2O5/c1-20(2)35-28(17-16-24(37)18-25(38)19-29(39)40)30(21-12-14-22(34)15-13-21)31-26-10-6-7-11-27(26)36(33(41)32(31)35)23-8-4-3-5-9-23/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,39,40)/t24-,25-/m1/s1","","2007-06-12","2011-06-04","(3R,5R)-7-[1-(4-fluorophenyl)-3-(1-methylethyl)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid",""],["5EH","(3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine","C19 H21 N O","O3c1ccccc1/C(c2c(cccc2)C3)=C/CCN(C)C;CN(C)CCC=C1c2ccccc2COc3ccccc13;CN(C)CCC=C1c2ccccc2COc3c1cccc3","InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+","","2011-05-25","2011-06-10","(3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine",""],["HR2","(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID","C30 H35 F N2 O5","O=C(O)CC(O)CC(O)CCc1c(c3c(n1C(C)C)C(=O)N(c2ccccc2)CCC3)c4ccc(F)cc4;CC(C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c3CCCN(C(=O)c13)c4ccccc4;CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C30H35FN2O5/c1-19(2)33-26(15-14-23(34)17-24(35)18-27(36)37)28(20-10-12-21(31)13-11-20)25-9-6-16-32(30(38)29(25)33)22-7-4-3-5-8-22/h3-5,7-8,10-13,19,23-24,34-35H,6,9,14-18H2,1-2H3,(H,36,37)/t23-,24-/m1/s1","","2007-06-12","2011-06-04","(3R,5R)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid",""],["5EI","methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside","C22 H23 N O10","COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1cccc(c1)[N+]([O-])=O;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3cccc(c3)[N+]([O-])=O;Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)c3cccc(c3)[N+](=O)[O-])OC)CO)O","InChI=1S/C22H23NO10/c1-12-6-8-13(9-7-12)20(26)32-18-17(25)16(11-24)31-22(30-2)19(18)33-21(27)14-4-3-5-15(10-14)23(28)29/h3-10,16-19,22,24-25H,11H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1","","2021-07-16","2022-07-08","methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside","2022-07-13"],["HR3","5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid","C15 H14 N2 O5","COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1;COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O","InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21)","","2021-01-29","2022-01-28","5-[(4-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid","2022-02-02"],["5EJ","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1H)-one","C12 H19 N2 O8 P","C(OC=1C(=CN(C(=O)N=1)C2CC(C(COP(=O)(O)O)O2)O)C)C;CCOC1=NC(=O)N(C=C1C)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CCOC1=NC(=O)N(C=C1C)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C12H19N2O8P/c1-3-20-11-7(2)5-14(12(16)13-11)10-4-8(15)9(22-10)6-21-23(17,18)19/h5,8-10,15H,3-4,6H2,1-2H3,(H2,17,18,19)/t8-,9+,10+/m0/s1","","2015-09-16","2016-08-05","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1H)-one","2016-08-10"],["HR4","(2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide","C17 H17 F N5 O5 P S2","Fc1ccc(cc1)CSc3nc2c(ncnc2n3C5OC4COP(=O)(OC4C5O)S)N;Nc1ncnc2n([CH]3O[CH]4CO[P](S)(=O)O[CH]4[CH]3O)c(SCc5ccc(F)cc5)nc12;c1cc(ccc1CSc2nc3c(ncnc3n2C4C(C5C(O4)COP(=O)(O5)S)O)N)F","InChI=1S/C17H17FN5O5PS2/c18-9-3-1-8(2-4-9)6-31-17-22-11-14(19)20-7-21-15(11)23(17)16-12(24)13-10(27-16)5-26-29(25,30)28-13/h1-4,7,10,12-13,16,24H,5-6H2,(H,25,30)(H2,19,20,21)/t10-,12-,13-,16-,29+/m1/s1","","2013-09-12","2014-08-29","(2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide","2014-09-03"],["5EK","N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide","C24 H18 Cl2 N8 O2","C(=O)(Cn2nnnc2c1ccccc1Cl)NNC(=O)Nc3cc4c(cc3)ccn4c5ccccc5Cl;Clc1ccccc1n2ccc3ccc(NC(=O)NNC(=O)Cn4nnnc4c5ccccc5Cl)cc23;c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl","InChI=1S/C24H18Cl2N8O2/c25-18-6-2-1-5-17(18)23-29-31-32-34(23)14-22(35)28-30-24(36)27-16-10-9-15-11-12-33(21(15)13-16)20-8-4-3-7-19(20)26/h1-13H,14H2,(H,28,35)(H2,27,30,36)","","2015-09-16","2016-06-10","N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide","2016-06-15"],["HR5","~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide","C11 H17 N3 O","Cn1ncc(C(=O)NCC2CCC2)c1C;Cc1c(cnn1C)C(=O)NCC2CCC2","InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)","","2018-12-17","2019-01-18","~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide","2019-01-23"],["5EL","4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE","C28 H27 N3 O3","O=C(NCc1ccncc1)c5ccc(Oc4ccc(C#CC3(O)C2CCN(CC2)C3)cc4)cc5;O[C]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)NCc5ccncc5)cc3;c1cc(ccc1C#CC2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5","InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)/t28-/m0/s1","","2011-05-13","2011-06-24","4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-N-(pyridin-4-ylmethyl)benzamide",""],["HR6","(2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide","C17 H18 N5 O5 P S2","O=P4(OCC5OC(n2c3ncnc(N)c3nc2SCc1ccccc1)C(O)C5O4)S;Nc1ncnc2n([CH]3O[CH]4CO[P](S)(=O)O[CH]4[CH]3O)c(SCc5ccccc5)nc12;c1ccc(cc1)CSc2nc3c(ncnc3n2C4C(C5C(O4)COP(=O)(O5)S)O)N","InChI=1S/C17H18N5O5PS2/c18-14-11-15(20-8-19-14)22(17(21-11)30-7-9-4-2-1-3-5-9)16-12(23)13-10(26-16)6-25-28(24,29)27-13/h1-5,8,10,12-13,16,23H,6-7H2,(H,24,29)(H2,18,19,20)/t10-,12-,13-,16-,28+/m1/s1","","2013-09-12","2014-08-29","(2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide","2014-09-03"],["5EM","N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide","C22 H22 N4 O3","c2c(C(NC(C(C)(N)C)C(=O)NO)=O)ccc(C#CC#Cc1ccc(cc1)N)c2;CC(C)(N)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO;CC(C)(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N","InChI=1S/C22H22N4O3/c1-22(2,24)19(21(28)26-29)25-20(27)17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(23)14-10-16/h7-14,19,29H,23-24H2,1-2H3,(H,25,27)(H,26,28)/t19-/m1/s1","","2015-09-16","2016-03-04","N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide","2016-03-09"],["HR7","(3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid","C7 H16 N4 O2","O=C(O)CC(N)CCC/N=C(N)N;N[CH](CCCN=C(N)N)CC(O)=O;C(CC(CC(=O)O)N)CN=C(N)N","InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)","BETA-HOMOARGININE","2011-05-18","2024-09-27","(3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid",""],["5EN","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide","C22 H19 F2 N3 O4","c2cc(C#CC#Cc1ccc(N)cc1)ccc2C(NC(C(C(F)F)(O)C)C(=O)NO)=O;C[C](O)(C(F)F)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O","InChI=1S/C22H19F2N3O4/c1-22(30,21(23)24)18(20(29)27-31)26-19(28)16-10-6-14(7-11-16)4-2-3-5-15-8-12-17(25)13-9-15/h6-13,18,21,30-31H,25H2,1H3,(H,26,28)(H,27,29)/t18-,22+/m1/s1","","2015-09-16","2016-03-04","4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide","2016-03-09"],["HR8","5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide","C12 H16 Cl N O2","COc1ccc(Cl)cc1C(=O)NCC(C)C;CC(C)CNC(=O)c1cc(ccc1OC)Cl","InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)","","2018-12-17","2019-01-18","5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide","2019-01-23"],["5EO","6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","C20 H28 N4 O4 S","O=S(=O)(c2cc(C1=NC(=CC(=O)N1)CC)c(OCCC)cc2)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)[S](=O)(=O)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C","InChI=1S/C20H28N4O4S/c1-4-12-28-18-7-6-16(29(26,27)24-10-8-23(3)9-11-24)14-17(18)20-21-15(5-2)13-19(25)22-20/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,22,25)","","2011-10-04","2012-09-14","6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","2012-09-14"],["HR9","5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid","C17 H18 N2 O4","OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1;c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O","InChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23)","","2021-01-29","2022-01-28","5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid","2022-02-02"],["5EP","N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide","C23 H23 N3 O3","c2c(C(NC(C(CC)C)C(=O)NO)=O)ccc(C#CC#Cc1ccc(cc1)N)c2;CC[CH](C)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO;CCC(C)C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N","InChI=1S/C23H23N3O3/c1-3-16(2)21(23(28)26-29)25-22(27)19-12-8-17(9-13-19)6-4-5-7-18-10-14-20(24)15-11-18/h8-16,21,29H,3,24H2,1-2H3,(H,25,27)(H,26,28)/t16-,21-/m0/s1","","2015-09-16","2016-03-04","N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide","2016-03-09"],["HRA","1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol","C25 H23 Cl N4 O4","C1CC(CO)OCC1Nc5c4c(C(c3ccc(Oc2ccccc2)cc3Cl)=O)cnc4ncn5;OC[CH]1CC[CH](CO1)Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23;c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)NC5CCC(OC5)CO","InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1","","2018-07-18","2018-08-31","1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol","2018-09-05"],["5EQ","(2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid","C12 H9 N O4","c1cc2nccc2cc1C([C@H]=C(C(=O)O)O)=O;OC(=O)C(O)=CC(=O)c1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O","InChI=1S/C12H9NO4/c14-10(6-11(15)12(16)17)8-1-2-9-7(5-8)3-4-13-9/h1-6,13,15H,(H,16,17)/b11-6-","","2015-09-16","2016-09-23","(2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid","2016-09-28"],["HRB","N-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-2-PENTYLTETRAHYDROFURAN-3-YL]-L-HISTIDINE","C17 H27 N3 O5","O=C(O)C(NC(=O)C)Cc1ncn(c1)C2C(OC(O)C2)CCCCC;CCCCC[CH]1O[CH](O)C[CH]1n2cnc(C[CH](NC(C)=O)C(O)=O)c2;CCCCCC1C(CC(O1)O)n2cc(nc2)CC(C(=O)O)NC(=O)C","InChI=1S/C17H27N3O5/c1-3-4-5-6-15-14(8-16(22)25-15)20-9-12(18-10-20)7-13(17(23)24)19-11(2)21/h9-10,13-16,22H,3-8H2,1-2H3,(H,19,21)(H,23,24)/t13-,14-,15+,16+/m0/s1","","2006-02-06","2011-06-04","N-acetyl-1-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-histidine",""],["5ER","(2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid","C12 H9 N O4","c2c(c1c(cccc1)n2)C([C@H]=C(C(O)=O)O)=O;OC(=O)C(O)=CC(=O)c1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C(=O)C=C(C(=O)O)O","InChI=1S/C12H9NO4/c14-10(5-11(15)12(16)17)8-6-13-9-4-2-1-3-7(8)9/h1-6,13,15H,(H,16,17)/b11-5-","","2015-09-16","2016-09-23","(2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid","2016-09-28"],["HRC","N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide","C14 H15 N O3 S","O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccccc2;Cc1cc(O)cc(C)c1N[S](=O)(=O)c2ccccc2;Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O","InChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3","","2013-04-09","2013-10-18","N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide","2013-10-23"],["5ES","4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol","C26 H20 F N O2","Oc1ccc(cc1)/C(c2ccc(O)cc2)=C/c3cc(ccc3)Nc4ccc(cc4)F;Oc1ccc(cc1)C(=Cc2cccc(Nc3ccc(F)cc3)c2)c4ccc(O)cc4;c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O","InChI=1S/C26H20FNO2/c27-21-8-10-22(11-9-21)28-23-3-1-2-18(16-23)17-26(19-4-12-24(29)13-5-19)20-6-14-25(30)15-7-20/h1-17,28-30H","","2015-09-17","2016-04-29","4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol","2016-05-04"],["HRD","2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C11 H12 N6 O","O=C2c3cc1nc(nc1cc3N=C(NC)N2)NC;CNC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1;CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC","InChI=1S/C11H12N6O/c1-12-10-15-7-3-5-6(4-8(7)16-10)14-11(13-2)17-9(5)18/h3-4H,1-2H3,(H2,12,15,16)(H2,13,14,17,18)","","2011-05-04","2012-04-20","2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["5ET","4,4'-thiene-2,5-diylbis(3-chlorophenol)","C16 H10 Cl2 O2 S","c1(cc(c(cc1)c3sc(c2c(cc(cc2)O)Cl)cc3)Cl)O;Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl;c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O","InChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H","","2015-09-17","2016-04-29","4,4'-thiene-2,5-diylbis(3-chlorophenol)","2016-05-04"],["HRE","4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile","C27 H25 Cl N8 O3","COc1nc(ncc1n2nc3C(=O)N([CH](c4ccc(cc4)C#N)c3c2C(C)C)C5=CC(=CNC5=O)Cl)N(C)C;CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N(C2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl","InChI=1S/C27H25ClN8O3/c1-14(2)22-20-21(33-36(22)19-13-31-27(34(3)4)32-25(19)39-5)26(38)35(18-10-17(28)12-30-24(18)37)23(20)16-8-6-15(11-29)7-9-16/h6-10,12-14,23H,1-5H3,(H,30,37)/t23-/m0/s1","","2018-12-17","2019-05-10","4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile","2019-05-15"],["5EU","4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)","C17 H12 Cl2 O2 S","Oc3ccc(c2cc(c(c1c(cc(cc1)O)Cl)s2)C)c(Cl)c3;Cc1cc(sc1c2ccc(O)cc2Cl)c3ccc(O)cc3Cl;Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O","InChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3","","2015-09-17","2016-04-29","4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)","2016-05-04"],["HRF","5-(benzylamino)pyridine-2,4-dicarboxylic acid","C14 H12 N2 O4","OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1;c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O","InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20)","","2021-01-29","2022-01-28","5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid","2022-02-02"],["5EV","N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine","C26 H23 N5 O","c25c(cc(Nc1nc(ccn1)NC)cc2)n(c3c(cccc3)Oc4ccccc4)c(c5)C;CNc1ccnc(Nc2ccc3cc(C)n(c4ccccc4Oc5ccccc5)c3c2)n1;Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC","InChI=1S/C26H23N5O/c1-18-16-19-12-13-20(29-26-28-15-14-25(27-2)30-26)17-23(19)31(18)22-10-6-7-11-24(22)32-21-8-4-3-5-9-21/h3-17H,1-2H3,(H2,27,28,29,30)","","2015-09-17","2016-06-10","N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine","2016-06-15"],["HRG","L-HOMOARGININE","C7 H16 N4 O2","O=C(O)C(N)CCCCNC(=[N@H])N;N[CH](CCCCNC(N)=N)C(O)=O;C(CCNC(=N)N)CC(C(=O)O)N","InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1","","1999-12-16","2024-09-27","N~6~-carbamimidoyl-L-lysine",""],["5EW","6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one","C26 H24 Cl N7 O","c1(nc(ccn1)NC)Nc2cc5c(cc2)cc(C)n5c3c(ncc(c3)C=4C(=O)N(C=CC=4C)C)Cl;CNc1ccnc(Nc2ccc3cc(C)n(c4cc(cnc4Cl)C5=C(C)C=CN(C)C5=O)c3c2)n1;Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC","InChI=1S/C26H24ClN7O/c1-15-8-10-33(4)25(35)23(15)18-12-21(24(27)30-14-18)34-16(2)11-17-5-6-19(13-20(17)34)31-26-29-9-7-22(28-3)32-26/h5-14H,1-4H3,(H2,28,29,31,32)","","2015-09-17","2016-06-10","6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one","2016-06-15"],["5EX","ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C27 H36 N4 O6","C1(CCC1)CNC(=O)C(NC(Cc2ccccc2)C(NC(CC3CCNC3=O)[C@H]=[C@H]C(OCC)=O)=O)=O;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C(=O)NCC3CCC3","InChI=1S/C27H36N4O6/c1-2-37-23(32)12-11-21(16-20-13-14-28-24(20)33)30-25(34)22(15-18-7-4-3-5-8-18)31-27(36)26(35)29-17-19-9-6-10-19/h3-5,7-8,11-12,19-22H,2,6,9-10,13-17H2,1H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t20-,21+,22-/m0/s1","","2015-09-18","2024-09-27","ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HRH","(4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one","C21 H18 Cl2 F N3 O","CC(C)c1n[nH]c2C(=O)N([CH](c3ccc(Cl)cc3C)c12)c4cccc(Cl)c4F;Cc1cc(ccc1C2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl","InChI=1S/C21H18Cl2FN3O/c1-10(2)18-16-19(26-25-18)21(28)27(15-6-4-5-14(23)17(15)24)20(16)13-8-7-12(22)9-11(13)3/h4-10,20H,1-3H3,(H,25,26)/t20-/m0/s1","","2018-12-18","2019-05-10","(4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one","2019-05-15"],["HRI","ALPHA-CHLOROISOCAPROIC ACID","C6 H11 Cl O2","ClC(C(=O)O)CC(C)C;CC(C)C[CH](Cl)C(O)=O;CC(C)CC(C(=O)O)Cl","InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-chloro-4-methylpentanoic acid",""],["5EY","(3R)-3-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2R)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C22 H20 O7","O=C(O)c1c(ccc2OCC(Oc12)CCC(=O)O)/C=C4c3ccccc3CC4O;O[CH]1Cc2ccccc2C1=Cc3ccc4OC[CH](CCC(O)=O)Oc4c3C(O)=O;c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OC(CO4)CCC(=O)O)O","InChI=1S/C22H20O7/c23-17-10-12-3-1-2-4-15(12)16(17)9-13-5-7-18-21(20(13)22(26)27)29-14(11-28-18)6-8-19(24)25/h1-5,7,9,14,17,23H,6,8,10-11H2,(H,24,25)(H,26,27)/b16-9+/t14-,17-/m1/s1","","2013-11-14","2014-09-05","(3R)-3-(2-carboxyethyl)-6-{(E)-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-27"],["5EZ","7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one","C14 H15 Cl N2 O2","O=C3NC=Cc2cc(OCC1CCNC1)c(Cl)cc23;Clc1cc2C(=O)NC=Cc2cc1OC[CH]3CCNC3;c1c2c(cc(c1OCC3CCNC3)Cl)C(=O)NC=C2","InChI=1S/C14H15ClN2O2/c15-12-6-11-10(2-4-17-14(11)18)5-13(12)19-8-9-1-3-16-7-9/h2,4-6,9,16H,1,3,7-8H2,(H,17,18)/t9-/m1/s1","","2013-02-04","2014-09-05","7-chloro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one","2013-05-22"],["HRJ","3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C15 H11 N3 O6","O=C(O)C=1NC(=CC(C=1O)=O)c2ccc(cc2C)C3=NOC(=O)N3;Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(O)=O)O)C3=NOC(=O)N3;Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3","InChI=1S/C15H11N3O6/c1-6-4-7(13-17-15(23)24-18-13)2-3-8(6)9-5-10(19)12(20)11(16-9)14(21)22/h2-5,20H,1H3,(H,16,19)(H,21,22)(H,17,18,23)","","2018-07-18","2019-07-12","3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2019-07-17"],["5F0","(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid","C5 H9 N O4","COC(=O)[CH](N)CC(O)=O;COC(=O)C(CC(=O)O)N","InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1","1-methyl isoaspartic acid","2021-07-09","2024-09-27","(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid","2022-06-15"],["HRK","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol","C20 H27 N3 O9 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O","InChI=1S/C20H27N3O9S/c24-7-11-14(26)13(23-6-10(21-22-23)9-4-2-1-3-5-9)16(28)19(31-11)33-20-18(30)17(29)15(27)12(8-25)32-20/h1-6,11-20,24-30H,7-8H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1","","2019-02-01","2019-07-05","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol","2019-07-10"],["HRL","5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid","C15 H14 N2 O5","COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O;COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O","InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-9(13)7-16-12-8-17-11(15(20)21)6-10(12)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21)","","2021-01-29","2022-01-28","5-[(2-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid","2022-02-02"],["5F1","5'-FLUORO-2',5'-DIDEOXYADENOSINE","C10 H12 F N5 O2","FCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CF)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)CF)O)N","InChI=1S/C10H12FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1","","2005-10-26","2011-06-04","2',5'-dideoxy-5'-fluoroadenosine",""],["HRM","7-METHOXY-1-METHYL-9H-BETA-CARBOLINE","C13 H12 N2 O","n3ccc2c1c(cc(OC)cc1)nc2c3C;COc1ccc2c([nH]c3c(C)nccc23)c1;Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC","InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3","7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]INDOL; HARMINE","2007-07-25","2020-05-27","7-methoxy-1-methyl-9H-beta-carboline",""],["5F2","ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C22 H29 N3 O5","N2CCC(CC(/C=CC(=O)OCC)NC(C(NC(C)=O)Cc1ccccc1)=O)C2=O;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(C)=O;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)C","InChI=1S/C22H29N3O5/c1-3-30-20(27)10-9-18(14-17-11-12-23-21(17)28)25-22(29)19(24-15(2)26)13-16-7-5-4-6-8-16/h4-10,17-19H,3,11-14H2,1-2H3,(H,23,28)(H,24,26)(H,25,29)/t17-,18+,19-/m0/s1","","2015-09-18","2024-09-27","ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2016-03-30"],["HRN","3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid","C42 H37 Cl3 N6 O5","C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(O)=O)c8ccc(Cl)cc8Cl;CC(c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8","InChI=1S/C42H37Cl3N6O5/c1-24(30-11-9-27(43)21-32(30)45)51-23-46-37(25-6-3-2-4-7-25)39(51)36-31-12-10-28(44)22-33(31)47-38(36)40(52)48-34-20-26(41(53)54)8-13-35(34)49-17-14-29(15-18-49)50-16-5-19-56-42(50)55/h2-4,6-13,20-24,29,47H,5,14-19H2,1H3,(H,48,52)(H,53,54)/t24-/m0/s1","","2018-12-18","2019-05-10","3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid","2019-05-15"],["5F3","3,5-di(pyridin-4-yl)benzoic acid","C17 H12 N2 O2","C(=O)(O)c2cc(c1ccncc1)cc(c2)c3ccncc3;OC(=O)c1cc(cc(c1)c2ccncc2)c3ccncc3;c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3","InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)","","2015-09-18","2016-05-20","3,5-di(pyridin-4-yl)benzoic acid","2016-05-25"],["HRO","5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C5 H3 Cl N2 O4","O=C1NC(C(=O)O)=C(Cl)C(=O)N1;OC(=O)C1=C(Cl)C(=O)NC(=O)N1;C1(=C(NC(=O)NC1=O)C(=O)O)Cl","InChI=1S/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)","5-Chloroorotic acid","2012-11-19","2021-03-01","5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-20"],["5F4","4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide","C13 H10 Cl2 N2 O2","c1(cc(C(NC)=O)nc1)C(=O)c2c(cccc2Cl)Cl;CNC(=O)c1[nH]cc(c1)C(=O)c2c(Cl)cccc2Cl;CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl","InChI=1S/C13H10Cl2N2O2/c1-16-13(19)10-5-7(6-17-10)12(18)11-8(14)3-2-4-9(11)15/h2-6,17H,1H3,(H,16,19)","","2015-09-18","2016-06-10","4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide","2016-06-15"],["HRP","5-HYDROXY-L-TRYPTOPHAN","C11 H12 N2 O3","O=C(O)C(N)Cc2c1cc(O)ccc1nc2;N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O;c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1","","2005-01-14","2011-06-04","5-hydroxy-D-tryptophan",""],["5F5","3-(1,3-thiazol-2-yl)benzoic acid","C10 H7 N O2 S","c2(c1sccn1)cccc(c2)C(O)=O;OC(=O)c1cccc(c1)c2sccn2;c1cc(cc(c1)C(=O)O)c2nccs2","InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)","","2015-09-18","2016-05-20","3-(1,3-thiazol-2-yl)benzoic acid","2016-05-25"],["HRQ","7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide","C21 H23 N3 O2","COc1cccc2c1[nH]cc2C(=O)N[CH]3CCN(C3)c4ccc(C)cc4;Cc1ccc(cc1)N2CCC(C2)NC(=O)c3c[nH]c4c3cccc4OC","InChI=1S/C21H23N3O2/c1-14-6-8-16(9-7-14)24-11-10-15(13-24)23-21(25)18-12-22-20-17(18)4-3-5-19(20)26-2/h3-9,12,15,22H,10-11,13H2,1-2H3,(H,23,25)/t15-/m0/s1","","2018-12-18","2019-05-10","7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide","2019-05-15"],["5F6","(2,6-dichlorophenyl)(quinolin-6-yl)methanone","C16 H9 Cl2 N O","c1(cccc(c1C(c2ccc3c(c2)cccn3)=O)Cl)Cl;Clc1cccc(Cl)c1C(=O)c2ccc3ncccc3c2;c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl","InChI=1S/C16H9Cl2NO/c17-12-4-1-5-13(18)15(12)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H","","2015-09-18","2016-06-10","(2,6-dichlorophenyl)(quinolin-6-yl)methanone","2016-06-15"],["HRR","5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid","C17 H16 N2 O4","OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1;c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3","InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23)","","2021-01-29","2022-01-28","5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid","2022-02-02"],["5F7","N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine","C17 H14 Cl2 N2 O","c1cc(OC)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)C;COc1ccnc2ccc(cc12)N(C)c3c(Cl)cccc3Cl;CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl","InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3","","2015-09-18","2016-06-10","N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine","2016-06-15"],["HRS","5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide","C10 H7 Br N2 O4 S2","c1(sc(cc1)Br)S(Nc2ccc(cc2)N(=O)=O)(=O)=O;Brc1sc(cc1)[S](=O)(=O)Nc2ccc(cc2)[N](=O)=O;c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O","InChI=1S/C10H7BrN2O4S2/c11-9-5-6-10(18-9)19(16,17)12-7-1-3-8(4-2-7)13(14)15/h1-6,12H","","2018-07-18","2019-04-19","5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide","2019-04-24"],["5F8","3-(pyridin-3-yl)benzoic acid","C12 H9 N O2","OC(=O)c1cccc(c1)c2cccnc2;OC(=O)c1cccc(c1)c2cccnc2;c1cc(cc(c1)C(=O)O)c2cccnc2","InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)","","2015-09-18","2016-05-20","3-(pyridin-3-yl)benzoic acid","2016-05-25"],["HRT","(4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one","C28 H27 Cl2 N5 O3","COc1ncc(c(OC)n1)c2nc3C(=O)N([CH](C)c4cccc(Cl)c4)[CH](c5ccc(Cl)cc5)c3n2C(C)C;CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N(C2c4ccc(cc4)Cl)C(C)c5cccc(c5)Cl","InChI=1S/C28H27Cl2N5O3/c1-15(2)34-24-22(32-25(34)21-14-31-28(38-5)33-26(21)37-4)27(36)35(16(3)18-7-6-8-20(30)13-18)23(24)17-9-11-19(29)12-10-17/h6-16,23H,1-5H3/t16-,23-/m0/s1","","2018-12-18","2019-05-10","(4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one","2019-05-15"],["5F9","Arachinoyl-CoA","C41 H74 N7 O17 P3 S","OP(O)(OC1C(OC(C1O)n2c3c(nc2)c(N)ncn3)COP(OP(OCC(C)(C)C(C(NCCC(NCCSC(CCCCCCCCCCCCCCCCCCC)=O)=O)=O)O)(=O)O)(O)=O)=O;CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36-,40-/m1/s1","","2015-09-18","2016-01-15","S-{(3R,5S,9S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} icosanethioate (non-preferred name)","2016-01-20"],["HRU","(ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium","C12 H22 N2 Ru","C7[NH2+][Ru]65432(C1C6C5(C4C3C12C(C)C)C)[NH2+]C7;[Ru]|1|2|3|4|5|6(|NCCN|1)|C7C|2C|3(C|4C|5C|67C)C(C)C;CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7","InChI=1S/C10H14.C2H8N2.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;/h4-8H,1-3H3;1-4H2;/q;;","","2013-06-03","2014-03-21","(ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium","2014-03-26"],["5FA","ADENOSINE-5'-PENTAPHOSPHATE","C10 H18 N5 O19 P5","O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","2004-03-10","2011-06-04","5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine",""],["HRV","N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide","C18 H14 Cl2 F4 N4 O2","CC3(c1cc(ccc1F)NC(c2ncc(Cl)cc2Cl)=O)C(C(F)(F)F)OCC(N)=N3;C[C]1(N=C(N)CO[CH]1C(F)(F)F)c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F;CC1(C(OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl","InChI=1S/C18H14Cl2F4N4O2/c1-17(16(18(22,23)24)30-7-13(25)28-17)10-5-9(2-3-12(10)21)27-15(29)14-11(20)4-8(19)6-26-14/h2-6,16H,7H2,1H3,(H2,25,28)(H,27,29)/t16-,17-/m1/s1","","2018-07-19","2019-09-06","N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide","2019-09-11"],["5FB","4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile","C19 H13 F3 N2 O4 S","FC(F)(F)c3cc(C#N)ccc3Oc1c(OC)cc(cc1)CC2SC(=O)NC2=O;COc1cc(C[CH]2SC(=O)NC2=O)ccc1Oc3ccc(cc3C(F)(F)F)C#N;COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)CC3C(=O)NC(=O)S3","InChI=1S/C19H13F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-7,16H,8H2,1H3,(H,24,25,26)/t16-/m1/s1","","2009-10-12","2011-06-04","4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile",""],["HRW","2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide","C19 H17 F3 N4 O S2","O=C(N=C1/SC(=CN1)Cc2cccc(c2)C(F)(F)F)CSc3nc(cc(n3)C)C;Cc1cc(C)nc(SCC(=O)N=C2NC=C(Cc3cccc(c3)C(F)(F)F)S2)n1;Cc1cc(nc(n1)SCC(=O)N=C2NC=C(S2)Cc3cccc(c3)C(F)(F)F)C","InChI=1S/C19H17F3N4OS2/c1-11-6-12(2)25-18(24-11)28-10-16(27)26-17-23-9-15(29-17)8-13-4-3-5-14(7-13)19(20,21)22/h3-7,9H,8,10H2,1-2H3,(H,23,26,27)","","2014-08-05","2015-09-25","2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide","2015-09-30"],["5FC","5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C10 H14 N3 O8 P","O=CC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1C=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O","InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1","2'-DEOXY-5-FORMYLCYTIDINE-5'-MONOPHOSPHATE","2004-04-06","2020-06-17","2'-deoxy-5-formylcytidine 5'-(dihydrogen phosphate)",""],["HRX","[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)","C8 H13 N O7 P2","O=P(O)(O)C(O)(CCc1cccnc1)P(=O)(O)O;OC(CCc1cccnc1)([P](O)(O)=O)[P](O)(O)=O;c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)","","2014-12-10","2015-04-10","[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)","2015-04-15"],["5FD","5'-FLUORO-5'-DEOXYADENOSINE","C10 H12 F N5 O3","Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N","InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1","","2003-12-16","2022-06-06","5'-deoxy-5'-fluoroadenosine",""],["HRY","5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one","C29 H34 Cl N7 O","n3c2ccc(C=1C=CC(=O)N(C=1)C)cc2c(nc3N4CCN(CC4)CCN(C)C)NCc5cc(Cl)ccc5;CN(C)CCN1CCN(CC1)c2nc(NCc3cccc(Cl)c3)c4cc(ccc4n2)C5=CN(C)C(=O)C=C5;CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl","InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)","","2018-07-19","2018-09-07","5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one","2018-09-12"],["5FE","5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER","C29 H47 F6 N5 O9","O=C(NC(C(=O)NC(C(=O)NC(C(F)(F)F)C(O)CC(=O)NC(C(=O)NC(C(O)CC(=O)OC)C(F)(F)F)C)C(C)C)C(C)C)CC(C)C;COC(=O)C[CH](O)[CH](NC(=O)[CH](C)NC(=O)C[CH](O)[CH](NC(=O)[CH](NC(=O)[CH](NC(=O)CC(C)C)C(C)C)C(C)C)C(F)(F)F)C(F)(F)F;CC(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(CC(=O)NC(C)C(=O)NC(C(CC(=O)OC)O)C(F)(F)F)O)C(F)(F)F","InChI=1S/C29H47F6N5O9/c1-12(2)9-18(43)37-21(13(3)4)26(47)38-22(14(5)6)27(48)40-23(28(30,31)32)16(41)10-19(44)36-15(7)25(46)39-24(29(33,34)35)17(42)11-20(45)49-8/h12-17,21-24,41-42H,9-11H2,1-8H3,(H,36,44)(H,37,43)(H,38,47)(H,39,46)(H,40,48)/t15-,16-,17-,21-,22-,23+,24+/m0/s1","","2004-09-16","2011-06-04","methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate (non-preferred name)",""],["HRZ","1~{H}-pyridin-2-one","C5 H5 N O","O=C1NC=CC=C1;C1=CC(=O)NC=C1","InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)","","2018-12-18","2019-06-21","1~{H}-pyridin-2-one","2019-06-26"],["5FF","(5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","C24 H25 F3 N4 O2","C2(c1ccc(CC)cc1)Nc3c(cnn3C(C2)C(F)(F)F)C(=O)NCc4ccc(OC)cc4;CCc1ccc(cc1)[CH]2C[CH](n3ncc(C(=O)NCc4ccc(OC)cc4)c3N2)C(F)(F)F;CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F","InChI=1S/C24H25F3N4O2/c1-3-15-4-8-17(9-5-15)20-12-21(24(25,26)27)31-22(30-20)19(14-29-31)23(32)28-13-16-6-10-18(33-2)11-7-16/h4-11,14,20-21,30H,3,12-13H2,1-2H3,(H,28,32)/t20-,21+/m1/s1","","2015-09-18","2016-01-15","(5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-01-20"],["HS0","6-bromanyl-1~{H}-indazol-4-amine","C7 H6 Br N3","Nc1cc(Br)cc2[nH]ncc12;c1c(cc2c(c1N)cn[nH]2)Br","InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)","","2021-01-29","2021-07-16","6-bromanyl-1~{H}-indazol-4-amine","2021-07-21"],["5FH","(5S)-5-benzylimidazolidine-2,4-dione","C10 H10 N2 O2","O=C1NC(C(=O)N1)Cc2ccccc2;O=C1N[CH](Cc2ccccc2)C(=O)N1;c1ccc(cc1)CC2C(=O)NC(=O)N2","InChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1","","2008-09-12","2011-06-04","(5S)-5-benzylimidazolidine-2,4-dione",""],["HS1","2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide","C12 H16 N2 O7 S","O=NC(=O)CN(S(=O)(=O)c1ccc(OC)cc1)CC(O)CO;COc1ccc(cc1)[S](=O)(=O)N(C[CH](O)CO)CC(=O)N=O;COc1ccc(cc1)S(=O)(=O)N(CC(CO)O)CC(=O)N=O","InChI=1S/C12H16N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16H,6-8H2,1H3/t9-/m0/s1","(S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide","2008-11-04","2021-03-13","N~2~-[(2S)-2,3-dihydroxypropyl]-N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxoglycinamide",""],["5FI","2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole","C19 H21 F3 N6","FC(F)(F)c1cc2nc(nc2cc1)CN4CCN(c3ncncc3CC)CC4;CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F;CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F","InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)","","2013-06-17","2013-07-19","2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole","2013-07-24"],["HS3","(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide","C10 H12 N2 O6 S","O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO;COc1ccc(cc1)[S](=O)(=O)N[CH](CO)C(=O)N=O;COc1ccc(cc1)S(=O)(=O)NC(CO)C(=O)N=O","InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1","(R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide","2008-11-04","2021-03-01","N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide",""],["5FJ","N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide","C21 H24 F3 N7 O2","C(F)(F)(F)c1oc(nn1)c4cnc(N3CCC(n2c(C(NC(C)(C)C)=O)cnc2)CC3)cc4;CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4oc(nn4)C(F)(F)F;CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F","InChI=1S/C21H24F3N7O2/c1-20(2,3)27-17(32)15-11-25-12-31(15)14-6-8-30(9-7-14)16-5-4-13(10-26-16)18-28-29-19(33-18)21(22,23)24/h4-5,10-12,14H,6-9H2,1-3H3,(H,27,32)","","2015-09-18","2016-09-02","N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide","2016-09-07"],["HS4","N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide","C14 H14 N2 O4 S","O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2;ONC(=O)CN[S](=O)(=O)c1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO","InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)","","2008-11-04","2020-01-07","N~2~-(biphenyl-4-ylsulfonyl)-N-oxoglycinamide",""],["5FK","(5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","C22 H21 F4 N5 O","C1(CC(C(F)(F)F)n2c(N1)c(cn2)C(=O)NCc3ncc(cc3)F)c4ccc(cc4)CC;CCc1ccc(cc1)[CH]2C[CH](n3ncc(C(=O)NCc4ccc(F)cn4)c3N2)C(F)(F)F;CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F","InChI=1S/C22H21F4N5O/c1-2-13-3-5-14(6-4-13)18-9-19(22(24,25)26)31-20(30-18)17(12-29-31)21(32)28-11-16-8-7-15(23)10-27-16/h3-8,10,12,18-19,30H,2,9,11H2,1H3,(H,28,32)/t18-,19+/m1/s1","","2015-09-20","2016-01-15","(5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","2016-01-20"],["HS5","2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide","C10 H11 F N2 O5 S","O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO;OCCN(CC(=O)N=O)[S](=O)(=O)c1ccc(F)cc1;c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O","InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2","4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide","2008-11-04","2021-03-01","N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide",""],["5FL","3-(pyridin-4-yl)benzoic acid","C12 H9 N O2","c2c(c1cccc(c1)C(=O)O)ccnc2;OC(=O)c1cccc(c1)c2ccncc2;c1cc(cc(c1)C(=O)O)c2ccncc2","InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15)","","2015-09-21","2016-05-27","3-(pyridin-4-yl)benzoic acid","2016-06-01"],["HS6","2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide","C8 H7 F N2 O4 S","O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O;Fc1ccc(cc1)[S](=O)(=O)NCC(=O)N=O;c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O","InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2","4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide","2008-11-04","2020-06-17","N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide",""],["5FN","(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL","C8 H12 F N O5","FC1(OC2OC(=NC2C(O)C1O)C)CO;CC1=N[CH]2[CH](O)[CH](O)[C](F)(CO)O[CH]2O1;CC1=NC2C(C(C(OC2O1)(CO)F)O)O","InChI=1S/C8H12FNO5/c1-3-10-4-5(12)6(13)8(9,2-11)15-7(4)14-3/h4-7,11-13H,2H2,1H3/t4-,5-,6+,7+,8-/m1/s1","","2009-11-30","2011-06-04","(3aS,5S,6S,7R,7aR)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol",""],["HS7","N-oxo-2-(phenylsulfonylamino)ethanamide","C8 H8 N2 O4 S","O=S(=O)(NCC(=O)N=O)c1ccccc1;O=NC(=O)CN[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)NCC(=O)N=O","InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2","N-(2-nitroso-2-oxoethyl)benzenesulfonamide","2008-11-04","2020-06-17","N-oxo-N~2~-(phenylsulfonyl)glycinamide",""],["5FO","6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","C20 H27 F N4 O4 S","O=S(=O)(c2cc(C1=NC(=C(F)C(=O)N1)CC)c(OCCC)cc2)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(F)C(=O)N2)CC)[S](=O)(=O)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C","InChI=1S/C20H27FN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)","","2011-07-06","2011-08-19","6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one",""],["HS8","3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine","C6 H10 N3 O5 S","O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N;N[CH](Cc1cn(c[nH+]1)[S](O)(=O)=O)C(O)=O;c1c([nH+]cn1S(=O)(=O)O)CC(C(=O)O)N","InChI=1S/C6H9N3O5S/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H,12,13,14)/p+1/t5-/m0/s1","","2008-11-13","2024-09-27","3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine",""],["5FP","5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID","C28 H45 F6 N5 O9","O=C(NC(C(O)CC(=O)O)C(F)(F)F)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(F)(F)F)C;CC(C)CC(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)N[CH]([CH](O)CC(=O)N[CH](C)C(=O)N[CH]([CH](O)CC(O)=O)C(F)(F)F)C(F)(F)F;CC(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(CC(=O)NC(C)C(=O)NC(C(CC(=O)O)O)C(F)(F)F)O)C(F)(F)F","InChI=1S/C28H45F6N5O9/c1-11(2)8-17(42)36-20(12(3)4)25(47)37-21(13(5)6)26(48)39-22(27(29,30)31)15(40)9-18(43)35-14(7)24(46)38-23(28(32,33)34)16(41)10-19(44)45/h11-16,20-23,40-41H,8-10H2,1-7H3,(H,35,43)(H,36,42)(H,37,47)(H,38,46)(H,39,48)(H,44,45)/t14-,15-,16-,20-,21-,22+,23+/m0/s1","","2004-09-16","2011-06-04","(6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oic acid (non-preferred name)",""],["HS9","N-ALPHA-METHYL-L-HISTIDINAMIDE","C7 H12 N4 O","O=C(N)C(NC)Cc1ncnc1;CN[CH](Cc1c[nH]cn1)C(N)=O;CNC(Cc1c[nH]cn1)C(=O)N","InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1","N-METHYL-L-HISTIDINAMIDE","2009-09-02","2024-09-27","Nalpha-methyl-L-histidinamide",""],["5FQ","N-pentyl-L-alaninamide","C8 H18 N2 O","CCCCCNC(C(C)N)=O;CCCCCNC(=O)[CH](C)N;CCCCCNC(=O)C(C)N","InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1","","2015-09-21","2024-09-27","N-pentyl-L-alaninamide","2016-03-30"],["HSA","PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER","C6 H12 N3 O4 P","O=P(O)(O)OCC(N)Cc1ncnc1;N[CH](CO[P](O)(O)=O)Cc1c[nH]cn1;c1c(nc[nH]1)CC(COP(=O)(O)O)N","InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1","","2000-12-11","2011-06-04","(2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate",""],["5FR","4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe\nridin-4-yl)benzamide","C30 H34 Cl N7 O3","O=C(N)CCc1cc(cc(Cl)c1)n5nc(c2c5cc(nc2)Nc4ccc(C(=O)NC3CCN(C)CC3)cc4OC)C;COc1cc(ccc1Nc2cc3n(nc(C)c3cn2)c4cc(Cl)cc(CCC(N)=O)c4)C(=O)NC5CCN(C)CC5;Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C","InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40)","4-{1-[3-(2-carbamoyl-ethyl)-5-chloro-phenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-ylamino}-3-methoxy-N-(1-methyl-piperi\ndin-4-yl)-benzamide","2008-06-16","2020-06-17","4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide",""],["HSC","(S)-3-HYDROXYDECANOYL-COA","C31 H50 N7 O18 P3 S","CCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23;CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O","InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20+,24+,25+,26-,30+/m0/s1","","2011-07-29","2012-08-03","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-2,2-dimethyl-3-oxidanyl-4-[[3-[2-[(3S)-3-oxidanyldecanoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate",""],["5FS","3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione","C18 H16 O4 S","Oc3cc(c(C1=CS(C=C1c2c(C)cc(cc2)O)(=O)=O)cc3)C;Cc1cc(O)ccc1C2=C[S](=O)(=O)C=C2c3ccc(O)cc3C;Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O","InChI=1S/C18H16O4S/c1-11-7-13(19)3-5-15(11)17-9-23(21,22)10-18(17)16-6-4-14(20)8-12(16)2/h3-10,19-20H,1-2H3","","2015-09-22","2016-04-29","3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione","2016-05-04"],["HSD","(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol","C7 H13 N O4","OC1C(N)C=C(C(O)C1O)CO;N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O;C1=C(C(C(C(C1N)O)O)O)CO","InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6+,7+/m1/s1","","2009-01-14","2012-12-21","(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",""],["5FT","phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide","C26 H24 O6 S2","Cc1cc(ccc1O)C3=C(c2ccc(c(c2)C)O)C4S(C3CC4S(=O)(=O)Oc5ccccc5)=O;Cc1cc(ccc1O)C2=C([CH]3[CH](C[CH]2[S]3=O)[S](=O)(=O)Oc4ccccc4)c5ccc(O)c(C)c5;Cc1cc(ccc1O)C2=C(C3C(CC2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O","InChI=1S/C26H24O6S2/c1-15-12-17(8-10-20(15)27)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)18-9-11-21(28)16(2)13-18/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33-/m0/s1","","2015-09-22","2020-06-27","phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide","2016-05-04"],["HSE","L-HOMOSERINE","C4 H9 N O3","O=C(O)C(N)CCO;N[CH](CCO)C(O)=O;C(CO)C(C(=O)O)N","InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1","","2000-02-02","2024-09-27","L-homoserine",""],["5FU","5-FLUORO-URIDINE-5'-MONOPHOSPHATE","C9 H12 F N2 O9 P","FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(F)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)F","InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2007-02-02","2024-09-27","5-fluorouridine 5'-(dihydrogen phosphate)",""],["HSF","1-HEXADECYLSULFONYL FLUORIDE","C16 H33 F O2 S","FS(=O)(=O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC[S](F)(=O)=O;CCCCCCCCCCCCCCCCS(=O)(=O)F","InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3","","2000-05-10","2024-09-27","hexadecane-1-sulfonyl fluoride",""],["5FV","phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide","C26 H24 O6 S2","Cc1cc(O)ccc1C3=C(c2ccc(O)cc2C)C4S(=O)C3CC4S(=O)(=O)Oc5ccccc5;Cc1cc(O)ccc1C2=C([CH]3[CH](C[CH]2[S]3=O)[S](=O)(=O)Oc4ccccc4)c5ccc(O)cc5C;Cc1cc(ccc1C2=C(C3C(CC2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O","InChI=1S/C26H24O6S2/c1-15-12-17(27)8-10-20(15)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)21-11-9-18(28)13-16(21)2/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33-/m0/s1","","2015-09-22","2020-06-27","phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide","2016-05-04"],["HSG","octyl alpha-L-altropyranoside","C14 H28 O6","O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12-,13+,14+/m0/s1","octyl alpha-L-altroside; octyl L-altroside; octyl altroside","2009-01-14","2020-07-17","octyl alpha-L-altropyranoside",""],["5FW","ISOPRENALINE","C11 H17 N O3","CC(C)NC[CH](O)c1ccc(O)c(O)c1;CC(C)NCC(c1ccc(c(c1)O)O)O","InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1","","2010-11-30","2011-06-04","4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",""],["HSH","octyl beta-D-galactopyranoside","C14 H28 O6","O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14-/m1/s1","octyl beta-D-galactoside; octyl D-galactoside; octyl galactoside","2009-01-14","2020-07-17","octyl beta-D-galactopyranoside",""],["5FX","5-deoxy-5-fluoro-D-xylulose","C5 H9 F O4","O=C(CO)C(O)C(O)CF;OCC(=O)[CH](O)[CH](O)CF;C(C(C(C(=O)CO)O)O)F","InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3-,5+/m1/s1","","2012-08-14","2014-09-05","5-deoxy-5-fluoro-D-xylulose","2012-11-23"],["HSI","(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID","C24 H25 Cl O3","Clc2ccc(C#Cc1ccc(C(=O)C(CC(=O)O)CCCCCC)cc1)cc2;CCCCCC[CH](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2ccc(Cl)cc2;CCCCCCC(CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl","InChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1","(4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID","2007-05-23","2021-03-01","(3R)-3-({4-[(4-chlorophenyl)ethynyl]phenyl}carbonyl)nonanoic acid",""],["5FY","4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide","C26 H24 O7 S2","Cc1cc(O)ccc1C3=C(c2c(cc(cc2)O)C)C4S(C3CC4S(=O)(=O)Oc5ccc(O)cc5)=O;Cc1cc(O)ccc1C2=C([CH]3[CH](C[CH]2[S]3=O)[S](=O)(=O)Oc4ccc(O)cc4)c5ccc(O)cc5C;Cc1cc(ccc1C2=C(C3C(CC2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O","InChI=1S/C26H24O7S2/c1-14-11-17(28)5-9-20(14)24-22-13-23(35(31,32)33-19-7-3-16(27)4-8-19)26(34(22)30)25(24)21-10-6-18(29)12-15(21)2/h3-12,22-23,26-29H,13H2,1-2H3/t22-,23-,26+,34-/m0/s1","","2015-09-22","2020-06-27","4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide","2016-05-04"],["HSJ","octyl beta-L-talopyranoside","C14 H28 O6","O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13+,14-/m0/s1","octyl beta-L-taloside; octyl L-taloside; octyl taloside","2009-01-14","2020-07-17","octyl beta-L-talopyranoside","2014-07-30"],["5FZ","~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide","C17 H18 N2 O5 S","CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccc(OC)cc3)cc12;CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccc(cc3)OC","InChI=1S/C17H18N2O5S/c1-4-14-13-9-15(17(23-3)10-16(13)24-18-14)19-25(20,21)12-7-5-11(22-2)6-8-12/h5-10,19H,4H2,1-3H3","","2021-08-17","2022-08-12","~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide","2022-08-17"],["HSK","3-hydroxy-L-histidine","C6 H9 N3 O3","O=C(O)C(N)Cc1cncn1O;N[CH](Cc1cncn1O)C(O)=O;c1c(n(cn1)O)CC(C(=O)O)N","InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1","","2014-05-01","2025-07-23","3-hydroxy-L-histidine","2014-09-03"],["5G0","(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate","C15 H19 N3 O7","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1","","2015-06-16","2015-08-28","[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate","2015-09-02"],["5G1","2-chlorobenzohydrazide","C7 H7 Cl N2 O","c1(ccccc1Cl)C(=O)NN;NNC(=O)c1ccccc1Cl;c1ccc(c(c1)C(=O)NN)Cl","InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)","","2015-09-22","2016-09-23","2-chlorobenzohydrazide","2016-09-28"],["HSL","HOMOSERINE LACTONE","C4 H7 N O2","O=C1OCCC1N;N[CH]1CCOC1=O;C1COC(=O)C1N","InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1","","2001-11-02","2024-09-27","(3S)-3-aminodihydrofuran-2(3H)-one",""],["5G2","3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione","C16 H10 Cl2 O4 S","C=1S(C=C(C=1c2c(Cl)cc(O)cc2)c3c(Cl)cc(O)cc3)(=O)=O;Oc1ccc(c(Cl)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3Cl;c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O","InChI=1S/C16H10Cl2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H","","2015-09-22","2016-04-29","3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione","2016-05-04"],["HSM","HISTAMINE","C5 H9 N3","n1c(cnc1)CCN;NCCc1c[nH]cn1;c1c(nc[nH]1)CCN","InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)","","1999-07-08","2011-06-04","2-(1H-imidazol-4-yl)ethanamine",""],["HSO","L-histidinol","C6 H12 N3 O","NC(CO)Cc1[nH+]cnc1;N[CH](CO)Cc1c[nH]c[nH+]1;c1c([nH+]c[nH]1)CC(CO)N","InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1","","1999-07-08","2024-09-27","4-[(2S)-2-amino-3-hydroxypropyl]-1H-imidazol-3-ium",""],["5G3","4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol","C19 H14 Cl N O3","Oc3ccc(/C(c1c(cc(cc1)O)O)=Nc2c(Cl)cccc2)cc3;Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3O;c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3O)O)Cl","InChI=1S/C19H14ClNO3/c20-16-3-1-2-4-17(16)21-19(12-5-7-13(22)8-6-12)15-10-9-14(23)11-18(15)24/h1-11,22-24H/b21-19+","","2015-09-22","2016-04-29","4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol","2016-05-04"],["HSP","4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID","C10 H15 O5 P S","O=S(c1ccccc1O)CCCCP(=O)(O)O;Oc1ccccc1[S](=O)CCCC[P](O)(O)=O;c1ccc(c(c1)O)S(=O)CCCCP(=O)(O)O","InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m1/s1","","1999-08-30","2012-01-05","{4-[(R)-(2-hydroxyphenyl)sulfinyl]butyl}phosphonic acid",""],["5G4","4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol","C20 H17 N O3","Oc3ccc(/C(c1c(cc(cc1)O)O)=Nc2c(C)cccc2)cc3;Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O;Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3O)O","InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+","","2015-09-22","2016-04-29","4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol","2016-05-04"],["HSQ","2-acetylamino-2-deoxy-alpha-L-idopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m0/s1","N-acetyl-alpha-L-idosamine; 2-acetylamino-2-deoxy-alpha-L-idose; 2-acetylamino-2-deoxy-L-idose;\n2-acetylamino-2-deoxy-idose; 2-(acetylamino)-2-deoxy-alpha-L-idopyranose","2009-01-16","2024-09-27","2-(acetylamino)-2-deoxy-alpha-L-idopyranose",""],["5G5","4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol","C19 H14 Cl N O2","Clc1c(cccc1)N=C(c2ccc(O)cc2)c3ccc(cc3)O;Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3;c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl","InChI=1S/C19H14ClNO2/c20-17-3-1-2-4-18(17)21-19(13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,22-23H","","2015-09-22","2016-04-29","4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol","2016-05-04"],["HSR","2-(acetylamino)-2-deoxy-beta-D-glucopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1/f/h9H","","2009-01-16","2009-08-05","2-(acetylamino)-2-deoxy-beta-D-glucopyranose",""],["5G6","4,4'-(phenylcarbonimidoyl)diphenol","C19 H15 N O2","Oc3ccc(C(=N/c1ccccc1)c2ccc(O)cc2)cc3;Oc1ccc(cc1)C(=Nc2ccccc2)c3ccc(O)cc3;c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O","InChI=1S/C19H15NO2/c21-17-10-6-14(7-11-17)19(15-8-12-18(22)13-9-15)20-16-4-2-1-3-5-16/h1-13,21-22H","","2015-09-22","2016-04-29","4,4'-(phenylcarbonimidoyl)diphenol","2016-05-04"],["HSS","5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE","C16 H21 N9 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4;N[CH](Cc1[nH]cnc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1c([nH]cn1)CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1","5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE","2007-05-25","2020-06-17","5'-O-(L-histidylsulfamoyl)adenosine",""],["5G7","4,4'-[(2-methylphenyl)carbonimidoyl]diphenol","C20 H17 N O2","Oc1ccc(cc1)/C(c2ccc(cc2)O)=N/c3c(C)cccc3;Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3;Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O","InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3","","2015-09-22","2016-04-29","4,4'-[(2-methylphenyl)carbonimidoyl]diphenol","2016-05-04"],["HST","4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE","C14 H25 N3 O2 S","O=C(O)c1nnnc1SC(CCCCC)CCCCC;CCCCCC(CCCCC)Sc1[nH]nnc1C(O)=O;CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O","InChI=1S/C14H25N3O2S/c1-3-5-7-9-11(10-8-6-4-2)20-13-12(14(18)19)15-17-16-13/h11H,3-10H2,1-2H3,(H,18,19)(H,15,16,17)","","2001-01-24","2011-06-04","5-[(1-pentylhexyl)sulfanyl]-1H-1,2,3-triazole-4-carboxylic acid",""],["5G8","1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole","C14 H16 Cl2 N2 O","c2(OCCCCCn1ccnc1)c(Cl)cc(cc2)Cl;Clc1ccc(OCCCCCn2ccnc2)c(Cl)c1;c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2","InChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2","","2015-09-22","2015-10-16","1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole","2015-10-21"],["HSU","beta-D-ribofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1","","2009-01-16","2009-09-15","beta-D-ribofuranose",""],["5G9","4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine","C17 H11 Cl N4 S","n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4;Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4;c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4","InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)","GW780159X","2015-09-22","2020-06-17","4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine","2015-09-30"],["HSV","L-histidinal","C6 H10 N3 O","NC(C=O)Cc1[nH+]cnc1;N[CH](Cc1c[nH]c[nH+]1)C=O;c1c([nH+]c[nH]1)CC(C=O)N","InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1","","2015-06-17","2024-09-27","4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium",""],["5GA","4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine","C17 H10 Cl F N4 S","n1c4c(ccc1c3c(c2cc(c(cc2)F)Cl)nc(N)s3)nccc4;Nc1sc(c2ccc3ncccc3n2)c(n1)c4ccc(F)c(Cl)c4;c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1","InChI=1S/C17H10ClFN4S/c18-10-8-9(3-4-11(10)19)15-16(24-17(20)23-15)14-6-5-12-13(22-14)2-1-7-21-12/h1-8H,(H2,20,23)","","2015-09-22","2015-09-25","4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine","2015-09-30"],["5GB","4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine","C18 H14 N4 S","n1c4c(ccc1c3c(c2cc(ccc2)C)nc(N)s3)nccc4;Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3;Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4","InChI=1S/C18H14N4S/c1-11-4-2-5-12(10-11)16-17(23-18(19)22-16)15-8-7-13-14(21-15)6-3-9-20-13/h2-10H,1H3,(H2,19,22)","","2015-09-22","2015-09-25","4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine","2015-09-30"],["HSW","N-hydroxysulfamide","H4 N2 O3 S","O=S(=O)(N)NO;N[S](=O)(=O)NO;NS(=O)(=O)NO","InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)","","2006-12-07","2011-06-04","N-hydroxysulfamide",""],["HSX","5-O-phosphono-alpha-D-ribofuranose","C5 H11 O8 P","O=P(O)(O)OCC1OC(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1","5-O-phosphono-alpha-D-ribose; 5-O-phosphono-D-ribose; 5-O-phosphono-ribose","2009-01-16","2024-09-27","5-O-phosphono-alpha-D-ribofuranose",""],["5GC","5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine","C7 H13 N3 O2 S2","c1(c(c(SC)nn1)S(=O)(=O)C(C)C)N;CSc1[nH]nc(N)c1[S](=O)(=O)C(C)C;CC(C)S(=O)(=O)c1c(n[nH]c1SC)N","InChI=1S/C7H13N3O2S2/c1-4(2)14(11,12)5-6(8)9-10-7(5)13-3/h4H,1-3H3,(H3,8,9,10)","","2015-09-23","2016-09-23","5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine","2016-09-28"],["HSY","alpha-L-xylopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m0/s1","alpha-L-xylose; L-xylose; xylose","2009-01-16","2024-09-27","alpha-L-xylopyranose",""],["5GD","2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one","C24 H29 N3 O4","c21cc(OC)cc(c1C(NC(=N2)c4cc(C)c(OCCN3CCCC3)c(C)c4)=O)OC;COc1cc(OC)c2C(=O)NC(=Nc2c1)c3cc(C)c(OCCN4CCCC4)c(C)c3;Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC","InChI=1S/C24H29N3O4/c1-15-11-17(12-16(2)22(15)31-10-9-27-7-5-6-8-27)23-25-19-13-18(29-3)14-20(30-4)21(19)24(28)26-23/h11-14H,5-10H2,1-4H3,(H,25,26,28)","","2015-09-23","2016-06-17","2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one","2016-06-22"],["HSZ","beta-D-xylopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1","","2009-01-16","2009-09-15","beta-D-xylopyranose",""],["5GF","5-fluoro-beta-D-glucopyranose","C6 H11 F O6","FC1(OC(O)C(O)C(O)C1O)CO;OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1(C(C(C(C(O1)O)O)O)O)F)O","InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1","5-fluoro-beta-D-glucose; 5-fluoro-D-glucose; 5-fluoro-glucose","2012-09-09","2024-09-27","(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)","2012-11-09"],["HT","2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C25 H24 N6 O","Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6;CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6;CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O","InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)","HOECHST 33258","1999-07-08","2020-06-17","4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol",""],["5GG","Deoxyhypusine","C10 H23 N3 O2","NC(C(=O)O)CCCCNCCCCN;NCCCCNCCCC[CH](N)C(O)=O;C(CCNCCCCN)CC(C(=O)O)N","InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1","","2015-09-23","2024-09-27","N~6~-(4-aminobutyl)-L-lysine","2016-01-20"],["HT0","(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid","C10 H9 N O5","O=C(O)C1NC(=O)OC1c1ccc(O)cc1;OC(=O)[CH]1NC(=O)O[CH]1c2ccc(O)cc2;c1cc(ccc1C2C(NC(=O)O2)C(=O)O)O","InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1","","2021-03-10","2024-09-27","(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid","2022-12-07"],["5GH","ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate","C20 H26 N2 O4","N2CCC(CC(NC(CCc1ccccc1)=O)[C@H]=[C@H]C(OCC)=O)C2=O;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)CCc2ccccc2;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)CCc2ccccc2","InChI=1S/C20H26N2O4/c1-2-26-19(24)11-9-17(14-16-12-13-21-20(16)25)22-18(23)10-8-15-6-4-3-5-7-15/h3-7,9,11,16-17H,2,8,10,12-14H2,1H3,(H,21,25)(H,22,23)/b11-9-/t16-,17+/m0/s1","","2015-09-24","2024-09-27","ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate","2016-03-30"],["5GI","~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide","C22 H25 F N4 O5","Cc1onc(c1)C(=O)N[CH](Cc2ccc(F)cc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O;Cc1cc(no1)C(=O)NC(Cc2ccc(cc2)F)C(=O)NC(CC3CCCNC3=O)C=O","InChI=1S/C22H25FN4O5/c1-13-9-19(27-32-13)22(31)26-18(10-14-4-6-16(23)7-5-14)21(30)25-17(12-28)11-15-3-2-8-24-20(15)29/h4-7,9,12,15,17-18H,2-3,8,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t15-,17-,18-/m0/s1","","2016-08-25","2024-09-27","~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide","2017-05-31"],["HT1","2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C27 H28 N6 O","O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6)CC;CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(C)CC6;CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C","InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)","HOECHST 33342","1999-07-08","2021-03-01","2'-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole",""],["HT2","5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE","C22 H18 N8","[N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5;NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(N)=N;c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N","InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)","BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258","1999-07-08","2020-06-17","2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide",""],["5GJ","[(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone","C15 H19 N O2","c1ccccc1C2(CC2)C(=O)N3CCCC(C3)O;O[CH]1CCCN(C1)C(=O)C2(CC2)c3ccccc3;c1ccc(cc1)C2(CC2)C(=O)N3CCCC(C3)O","InChI=1S/C15H19NO2/c17-13-7-4-10-16(11-13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2/t13-/m1/s1","","2015-09-24","2016-09-23","[(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone","2016-09-28"],["HT3","(2R,3S)-heptane-1,2,3-triol","C7 H16 O3","OC(CCCC)C(O)CO;CCCC[CH](O)[CH](O)CO;CCCCC(C(CO)O)O","InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m0/s1","","2010-10-20","2011-06-04","(2R,3S)-heptane-1,2,3-triol",""],["5GK","5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one","C23 H28 F3 N3 O","C1(NC=C(C=C1)CN4CCN(C3CCC(c2cc(ccc2)C(F)(F)F)CC3)CC4)=O;FC(F)(F)c1cccc(c1)[CH]2CC[CH](CC2)N3CCN(CC3)CC4=CNC(=O)C=C4;c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4","InChI=1S/C23H28F3N3O/c24-23(25,26)20-3-1-2-19(14-20)18-5-7-21(8-6-18)29-12-10-28(11-13-29)16-17-4-9-22(30)27-15-17/h1-4,9,14-15,18,21H,5-8,10-13,16H2,(H,27,30)/t18-,21+","","2020-09-16","2020-12-04","5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one","2020-12-09"],["HT4","4-methyl-2-sulfanylphenol","C7 H8 O S","Oc1ccc(cc1S)C;Cc1ccc(O)c(S)c1;Cc1ccc(c(c1)S)O","InChI=1S/C7H8OS/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3","","2014-05-01","2015-03-06","4-methyl-2-sulfanylphenol","2015-03-11"],["5GL","4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one","C13 H20 N2 O S","CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2;CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C","InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3","","2015-09-24","2016-09-23","4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one","2016-09-28"],["HT5","(4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium","C14 H25 N O2 S","O=C(NC1C(O)=[S+]CC1)CCCCCCCCC;CCCCCCCCCC(=O)N[CH]1CCSC1=O;CCCCCCCCCC(=O)NC1CCSC1=O","InChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1","","2007-09-19","2020-01-14","(4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium",""],["5GM","(4S)-2,4-dimethyl-L-norleucine","C8 H17 N O2","NC(C(=O)O)(CC(C)CC)C;CC[CH](C)C[C](C)(N)C(O)=O;CCC(C)CC(C)(C(=O)O)N","InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1","","2015-09-24","2024-09-27","(4S)-2,4-dimethyl-L-norleucine","2016-07-20"],["HT6","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol","C18 H29 N5 O S","OC1C(CSCCCCCC)CN(C1)Cc2cnc3c2ncnc3N;CCCCCCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23;CCCCCCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C18H29N5OS/c1-2-3-4-5-6-25-11-14-9-23(10-15(14)24)8-13-7-20-17-16(13)21-12-22-18(17)19/h7,12,14-15,20,24H,2-6,8-11H2,1H3,(H2,19,21,22)/t14-,15+/m1/s1","Hexylthio-DADMe-Immucillin-A","2017-09-11","2021-03-01","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol","2018-09-12"],["5GN","N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide","C22 H19 Br N4 O S2","c4c1c(cccc1Cc2cnc(s2)NC(=O)CSc3nc(cc(n3)C)C)ccc4Br;Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc4ccc(Br)cc34)cn2)n1;Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C","InChI=1S/C22H19BrN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)","","2015-09-24","2016-01-08","N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide","2016-01-13"],["HT7","(3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID","C12 H14 N2 O2","O=C(O)CC(N)Cc2c1ccccc1nc2;N[CH](CC(O)=O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(CC(=O)O)N","InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1","BETA-HOMOTRYPTOPHAN","2011-05-18","2024-09-27","(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid",""],["5GO","4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose","C12 H22 O14 S","C1(C(C(C(C(CO)O1)O)OS(=O)(O)=O)O)OC2C(C(C(O)OC2CO)O)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)OS(=O)(=O)O)O)O","InChI=1S/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1","","2015-09-24","2020-07-17","4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose","2016-02-17"],["HT8","(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one","C18 H18 N2 O6","OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)C3=NC4(C(C(C(C(O4)CO)O)O)O)C(=O)N3","InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1","","2018-12-18","2019-06-21","(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one","2019-06-26"],["5GP","GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2024-09-27","5'-guanylic acid",""],["HT9","coproporphyrin III","C36 H38 N4 O8","Cc1c(CCC(O)=O)c2[nH]c1cc3nc(cc4nc(cc5[nH]c(c2)c(CCC(O)=O)c5C)c(CCC(O)=O)c4C)c(CCC(O)=O)c3C;Cc1c2cc3nc(cc4nc(cc5c(c(c([nH]5)cc(c1CCC(=O)O)[nH]2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O","InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-","","2021-02-01","2022-06-17","3-[(1~{Z},14~{Z})-8,13,18-tris(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid","2022-06-22"],["5GQ","7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol","C9 H12 N2 O","CC1=CN2C[CH](O)CN=C2C=C1;CC1=CN2CC(CN=C2C=C1)O","InChI=1S/C9H12N2O/c1-7-2-3-9-10-4-8(12)6-11(9)5-7/h2-3,5,8,12H,4,6H2,1H3/t8-/m0/s1","","2015-09-24","2016-09-23","7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol","2016-09-28"],["5GR","N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide","C28 H27 N7 O2 S2","C(C(=O)Nc1ncc(s1)Cc2cc(ccc2)OCc3nnn(c3)Cc4ccccc4)Sc5nc(C)cc(C)n5;Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc(OCc4cn(Cc5ccccc5)nn4)c3)cn2)n1;Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C","InChI=1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36)","","2015-09-24","2016-01-15","N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide","2016-01-20"],["HTA","N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE","C19 H29 N3 O5","O=C(NO)CC(C(=O)NC(C(=O)NC)Cc1ccc(OC)cc1)CC(C)C;CNC(=O)[CH](Cc1ccc(OC)cc1)NC(=O)[CH](CC(C)C)CC(=O)NO;CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC","InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1","","1999-07-08","2011-06-04","(2R)-N~4~-hydroxy-N~1~-[(1S)-1-(4-methoxybenzyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide",""],["HTB","N-(1-benzofuran-2-ylmethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine","C29 H35 N3 O","n2c1c(cccc1)c(c3c2CCCC3)NCCCCCCCNCc5oc4ccccc4c5;C(CCCNCc1oc2ccccc2c1)CCCNc3c4CCCCc4nc5ccccc35;c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5","InChI=1S/C29H35N3O/c1(2-10-18-30-21-23-20-22-12-4-9-17-28(22)33-23)3-11-19-31-29-24-13-5-7-15-26(24)32-27-16-8-6-14-25(27)29/h4-5,7,9,12-13,15,17,20,30H,1-3,6,8,10-11,14,16,18-19,21H2,(H,31,32)","","2014-08-21","2015-09-04","N-(1-benzofuran-2-ylmethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine","2015-09-09"],["5GS","2'-C-methyluridine 5'-(trihydrogen diphosphate)","C10 H16 N2 O12 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)(C2O)C;C[C]1(O)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H16N2O12P2/c1-10(16)7(14)5(4-22-26(20,21)24-25(17,18)19)23-8(10)12-3-2-6(13)11-9(12)15/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1","","2014-10-30","2015-02-06","2'-C-methyluridine 5'-(trihydrogen diphosphate)","2015-02-11"],["HTC","3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID","C12 H9 N O7 S2","O=C(O)c1sccc1S(=O)(=O)Nc2ccc(C(=O)O)cc2O;OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(cc2O)C(O)=O;c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O","InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)","","2004-09-27","2011-06-04","3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid",""],["5GT","7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one","C9 H7 F3 N2 O","FC(F)(F)c1ccc2c(c1)NC(CN2)=O;FC(F)(F)c1ccc2NCC(=O)Nc2c1;c1cc2c(cc1C(F)(F)F)NC(=O)CN2","InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)","","2015-09-24","2016-05-20","7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one","2016-05-25"],["HTD","2-[(9aR)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate","C12 H18 N4 O7 P2 S","O=P(O)(O)OP(=O)(O)OCCC=2SC3Nc1nc(ncc1CN3C=2C)C;Cc1ncc2CN3[CH](Nc2n1)SC(=C3C)CCO[P](O)(=O)O[P](O)(O)=O;Cc1ncc2c(n1)NC3N(C2)C(=C(S3)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C12H18N4O7P2S/c1-7-10(3-4-22-25(20,21)23-24(17,18)19)26-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,12H,3-4,6H2,1-2H3,(H,20,21)(H,13,14,15)(H2,17,18,19)/t12-/m1/s1","","2010-04-28","2011-06-04","2-[(9aR)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate",""],["5GU","7-bromo-3,4-dihydroquinoxalin-2(1H)-one","C8 H7 Br N2 O","O=C2CNc1ccc(Br)cc1N2;Brc1ccc2NCC(=O)Nc2c1;c1cc2c(cc1Br)NC(=O)CN2","InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)","","2015-09-24","2016-05-20","7-bromo-3,4-dihydroquinoxalin-2(1H)-one","2016-05-25"],["5GV","(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid","C11 H12 N2 O3","O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC;CC[CH]1Nc2ccc(cc2NC1=O)C(O)=O;CCC1C(=O)Nc2cc(ccc2N1)C(=O)O","InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1","","2015-09-24","2016-05-20","(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid","2016-05-25"],["HTE","(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one","C14 H16 N2 O6","OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C2=NC3(C(C(C(C(O3)CO)O)O)O)C(=O)N2","InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1","","2018-12-19","2019-06-21","(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one","2019-06-26"],["HTF","N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE","C12 H21 N O3","O=C1OCCC1NC(=O)CCCCCCC;CCCCCCCC(=O)N[CH]1CCOC1=O;CCCCCCCC(=O)NC1CCOC1=O","InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1","N-OCTANOYL-L-HOMOSERINE LACTONE","2005-09-14","2020-06-17","N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide",""],["5GW","5-phenyluridine 5'-(trihydrogen diphosphate)","C15 H18 N2 O12 P2","O=P(O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(c1ccccc1)=C2)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3ccccc3;c1ccc(cc1)C2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C15H18N2O12P2/c18-11-10(7-27-31(25,26)29-30(22,23)24)28-14(12(11)19)17-6-9(13(20)16-15(17)21)8-4-2-1-3-5-8/h1-6,10-12,14,18-19H,7H2,(H,25,26)(H,16,20,21)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1","","2012-01-04","2013-01-18","5-phenyluridine 5'-(trihydrogen diphosphate)","2013-01-18"],["HTG","heptyl 1-thio-beta-D-glucopyranoside","C13 H26 O5 S","S(CCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCS[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCSC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1","HEPTYL 1-THIOHEXOPYRANOSIDE; heptyl 1-thio-beta-D-glucoside; heptyl 1-thio-D-glucoside; heptyl 1-thio-glucoside","2004-07-21","2020-07-17","heptyl 1-thio-beta-D-glucopyranoside",""],["5GX","7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine","C21 H18 Cl N7","Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(c4cnn(Cc5ccccc5)c4)c3n2;Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5","InChI=1S/C21H18ClN7/c1-13-16(12-28(2)27-13)20-25-19-18(17(22)9-23-21(19)26-20)15-8-24-29(11-15)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,25,26)","","2015-07-24","2015-08-28","6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-7-[1-(phenylmethyl)pyrazol-4-yl]-3H-imidazo[4,5-b]pyridine","2015-09-02"],["5GY","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","C14 H22 F N4 O8 P2 S","Nc1c(cnc(C)n1)C[n+]2c(c(sc2C(O)CF)CCOP(=O)(O)OP(O)(=O)O)C;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CF)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CF)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C14H21FN4O8P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)5-15)19(8)7-10-6-17-9(2)18-13(10)16/h6,11,20H,3-5,7H2,1-2H3,(H4-,16,17,18,21,22,23,24,25)/p+1/t11-/m1/s1","","2015-09-24","2016-09-23","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","2016-09-28"],["HTH","(2S,3R)-heptane-1,2,3-triol","C7 H16 O3","CCCC[CH](O)[CH](O)CO;CCCCC(C(CO)O)O","InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1","heptane-1,2,3-triol","2010-02-18","2021-03-13","(2S,3R)-heptane-1,2,3-triol",""],["HTI","(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-L-HOMOSERINE","C7 H14 N2 O5 S","O=C(O)C(N)CSC(O)CC(C(=O)O)N;N[CH](CS[CH](O)C[CH](N)C(O)=O)C(O)=O;C(C(C(=O)O)N)C(O)SCC(C(=O)O)N","InChI=1S/C7H14N2O5S/c8-3(6(11)12)1-5(10)15-2-4(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)/t3-,4-,5+/m0/s1","","2003-03-04","2024-09-27","(4R)-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-L-homoserine",""],["5GZ","4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide","C18 H22 Cl N3 O5 S","Clc2cccc(c2Oc1ccc(cc1)S(=O)(=O)NCCN(CC)CC)N(=O)=O;CCN(CC)CCN[S](=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1;CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-]","InChI=1S/C18H22ClN3O5S/c1-3-21(4-2)13-12-20-28(25,26)15-10-8-14(9-11-15)27-18-16(19)6-5-7-17(18)22(23)24/h5-11,20H,3-4,12-13H2,1-2H3","","2013-06-18","2013-09-06","4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide","2013-09-11"],["HTJ","6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C19 H14 N4 O2","O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4;OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4;c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O","InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)","","2010-08-03","2011-06-04","6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid",""],["5H","5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE","C16 H13 Br N2 O3 S3","O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3;Brc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1;c1ccc(cc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(cc3)Br","InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1","","2005-09-22","2024-09-27","N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide",""],["HTK","(7S)-7-hydroxy-1-phenyloctane-1,3,5-trione","C14 H16 O4","O=C(c1ccccc1)CC(=O)CC(=O)CC(O)C;C[CH](O)CC(=O)CC(=O)CC(=O)c1ccccc1;CC(CC(=O)CC(=O)CC(=O)c1ccccc1)O","InChI=1S/C14H16O4/c1-10(15)7-12(16)8-13(17)9-14(18)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3/t10-/m0/s1","","2013-04-04","2013-10-25","(7S)-7-hydroxy-1-phenyloctane-1,3,5-trione","2013-10-30"],["5H0","(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate","C22 H26 N2 O4 S","CN(C)CCN1c2ccccc2SC(C(OC(C)=O)C1=O)c1ccc(OC)cc1;COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O;CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC","InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1","","2021-07-19","2021-10-29","(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate","2021-11-03"],["HTL","2-ACETYL-THIAMINE DIPHOSPHATE","C14 H21 N4 O8 P2 S","O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C;CC(=O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1","2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO\nLIUM INNER SALT P,P'-DIOXIDE","2001-11-26","2020-06-17","2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["5H1","1H-indol-5-ol","C8 H7 N O","Oc1cc2c(cc1)ncc2;Oc1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1O","InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H","5-hydroxyindole","2009-01-20","2021-03-01","1H-indol-5-ol",""],["5H2","methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate","C22 H17 Cl N4 O3 S","c2cc1c3c(CCOc1cc2NC(=O)OC)cc(s3)c4n(cnn4)c5c(cccc5)Cl;COC(=O)Nc1ccc2c(OCCc3cc(sc23)c4nncn4c5ccccc5Cl)c1;COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl","InChI=1S/C22H17ClN4O3S/c1-29-22(28)25-14-6-7-15-18(11-14)30-9-8-13-10-19(31-20(13)15)21-26-24-12-27(21)17-5-3-2-4-16(17)23/h2-7,10-12H,8-9H2,1H3,(H,25,28)","","2015-09-24","2016-01-22","methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate","2016-01-27"],["HTM","3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid","C11 H17 N O7","O=C(C1=CC(C(C(O1)OCCCO)NC(C)=O)O)O;CC(=O)N[CH]1[CH](O)C=C(O[CH]1OCCCO)C(O)=O;CC(=O)NC1C(C=C(OC1OCCCO)C(=O)O)O","InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9+,11+/m0/s1","6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID; 3-HYDROXYPROPYL ETHER MIMETIC;\n3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid; 3-hydroxypropyl\n2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid; 3-hydroxypropyl\n2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic acid","2005-11-28","2020-07-17","3-hydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid",""],["HTN","(3R)-3-hydroxy-N-methyl-D-asparagine","C5 H10 N2 O4","O=C(NC)C(O)C(C(=O)O)N;CNC(=O)[CH](O)[CH](N)C(O)=O;CNC(=O)C(C(C(=O)O)N)O","InChI=1S/C5H10N2O4/c1-7-4(9)3(8)2(6)5(10)11/h2-3,8H,6H2,1H3,(H,7,9)(H,10,11)/t2-,3-/m1/s1","","2008-06-03","2024-09-27","(3R)-3-hydroxy-N-methyl-D-asparagine",""],["5H3","N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide","C20 H20 F N3 S","Fc1cccc(c1)CCNCc2cc(ccc2)NC(=[N@H])c3sccc3;Fc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1;c1cc(cc(c1)F)CCNCc2cccc(c2)NC(=N)c3cccs3","InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)","","2013-04-26","2014-02-07","N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide","2014-02-12"],["HTO","HEPTANE-1,2,3-TRIOL","C7 H16 O3","OC(CCCC)C(O)CO;CCCC[CH](O)[CH](O)CO;CCCCC(C(CO)O)O","InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7-/m1/s1","","1999-07-08","2011-06-04","(2R,3R)-heptane-1,2,3-triol",""],["5H4","N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide","C22 H24 F N3 S","Fc1cccc(c1)CCN(CC)Cc2cc(ccc2)NC(=[N@H])c3sccc3;CCN(CCc1cccc(F)c1)Cc2cccc(NC(=N)c3sccc3)c2;CCN(CCc1cccc(c1)F)Cc2cccc(c2)NC(=N)c3cccs3","InChI=1S/C22H24FN3S/c1-2-26(12-11-17-6-3-8-19(23)14-17)16-18-7-4-9-20(15-18)25-22(24)21-10-5-13-27-21/h3-10,13-15H,2,11-12,16H2,1H3,(H2,24,25)","","2013-04-26","2014-02-07","N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide","2014-02-12"],["HTP","4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM","C7 H12 N3 O4","OC2c1cnn[n+]1C(C(O)C2O)CO;OC[CH]1[CH](O)[CH](O)[CH](O)c2cn[nH][n+]12;c1c2[n+]([nH]n1)C(C(C(C2O)O)O)CO","InChI=1S/C7H11N3O4/c11-2-4-6(13)7(14)5(12)3-1-8-9-10(3)4/h1,4-7,11-14H,2H2/p+1/t4-,5+,6-,7-/m1/s1","","1999-07-08","2011-06-04","(4S,5S,6R,7R)-4,5,6-trihydroxy-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[1,5-a]pyridin-8-ium",""],["5H5","(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide","C19 H22 N6 O3","C(=O)(C(C)Oc4ccc3c1n(cc(n1)c2n(C(C)C)ncn2)CCOc3c4)N;CC(C)n1ncnc1c2cn3CCOc4cc(O[CH](C)C(N)=O)ccc4c3n2;CC(C)n1c(ncn1)c2cn3c(n2)-c4ccc(cc4OCC3)OC(C)C(=O)N","InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1","GDC-0326","2015-09-24","2020-06-17","(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide","2016-01-27"],["5H6","5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid","C8 H4 Cl N O3 S","c2c(c1cc(C(O)=O)no1)sc(c2)Cl;OC(=O)c1cc(on1)c2sc(Cl)cc2;c1cc(sc1c2cc(no2)C(=O)O)Cl","InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)","","2015-09-24","2016-09-30","5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid","2016-10-05"],["HTQ","HOMOTROPINE","C16 H21 N O3","O=C(OC2CC1N(C)C(CC1)C2)C(O)c3ccccc3;CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](O)c3ccccc3;CN1C2CCC1CC(C2)OC(=O)C(c3ccccc3)O","InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14-,15-/m1/s1","HYDROXY-PHENYL-ACETIC ACID 8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER","2002-10-24","2021-03-01","(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-hydroxy(phenyl)ethanoate",""],["5H7","N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide","C24 H23 F3 N4 O","C4(C)CC(N)CC(c3c(NC(c1nc(c(cc1)F)c2c(cccc2F)F)=O)cncc3)C4;C[CH]1C[CH](N)C[CH](C1)c2ccncc2NC(=O)c3ccc(F)c(n3)c4c(F)cccc4F;CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F","InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1","","2015-09-24","2015-11-06","N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide","2015-11-11"],["HTR","BETA-HYDROXYTRYPTOPHANE","C11 H12 N2 O3","O=C(O)C(N)C(O)c2c1ccccc1nc2;N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)C(C(C(=O)O)N)O","InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1","","1999-07-08","2024-09-27","(betaS)-beta-hydroxy-L-tryptophan",""],["5H8","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine","C21 H34 N3 O7 P","c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)C(C)(C)C)=O)CC(C)C)cc1;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](C(O)=O)C(C)(C)C;CC(C)CC(C(=O)NC(C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H34N3O7P/c1-14(2)11-16(18(25)23-17(19(26)27)21(3,4)5)24-32(29,30)13-22-20(28)31-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17+/m0/s1","(6S,9S)-1-(benzyloxy)-9-(tert-butyl)-6-isobutyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate","2015-09-25","2021-03-13","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine","2015-10-28"],["HTS","2-MERCAPTOPHENOL","C6 H6 O S","c1c(c(ccc1)S)O;Oc1ccccc1S;c1ccc(c(c1)O)S","InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H","2-HYDROXYTHIOPHENOL","2007-02-27","2024-09-27","2-sulfanylphenol",""],["5H9","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine","C22 H36 N3 O7 P","c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)CC(C)(C)C)=O)CC(C)C)cc1;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)(C)C)C(O)=O;CC(C)CC(C(=O)NC(CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C22H36N3O7P/c1-15(2)11-17(19(26)24-18(20(27)28)12-22(3,4)5)25-33(30,31)14-23-21(29)32-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11-14H2,1-5H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1","(6S,9S)-1-(benzyloxy)-6-isobutyl-9-neopentyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate","2015-09-25","2021-03-13","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine","2015-10-28"],["HTT","7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol","C20 H22 Cl N7 O S","Clc3c(nc2nc(nc(N1CCC(N)C1)c23)Sc4cc5c(nc4)CC=CN5O)CC;CCc1[nH]c2nc(Sc3cnc4CC=CN(O)c4c3)nc(N5CC[CH](N)C5)c2c1Cl;CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4cc5c(nc4)CC=CN5O)Cl","InChI=1S/C20H22ClN7OS/c1-2-13-17(21)16-18(24-13)25-20(26-19(16)27-7-5-11(22)10-27)30-12-8-15-14(23-9-12)4-3-6-28(15)29/h3,6,8-9,11,29H,2,4-5,7,10,22H2,1H3,(H,24,25,26)/t11-/m1/s1","","2013-05-21","2014-01-10","7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol","2014-01-15"],["5HA","N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE","C31 H38 N4 O5 S","O=S(=O)(N(c2cc(cc(C(=O)NC(c1ccccc1)C)c2)C(=O)NC(C(O)CNC3CC3)Cc4ccccc4)C)C;C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNC3CC3)N(C)[S](C)(=O)=O)c4ccccc4;CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNC4CC4)O","InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1","","2005-10-13","2011-06-04","N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide",""],["HTU","4-sulfanylphenol","C6 H6 O S","Oc1ccc(S)cc1;Oc1ccc(S)cc1;c1cc(ccc1O)S","InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H","","2012-02-17","2024-09-27","4-sulfanylphenol","2024-03-27"],["HTV","1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid","C25 H24 Cl N O9","c4c(ccc(c1cc2c(cc1Cl)ncc2C(=O)OC3C(C(O)C(C(O3)C(O)=O)O)O)c4)C5(CCC5)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)OC(=O)c2c[nH]c3cc(Cl)c(cc23)c4ccc(cc4)C5(O)CCC5;c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)C5(CCC5)O","InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1","","2018-07-19","2018-08-03","1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid","2018-08-08"],["5HB","N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide","C24 H28 N2 O2 S","C4N(Cc1ccccc1)CC(CN(C)S(=O)(=O)c3ccc2c(cccc2)c3)CC4;CN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3;CN(CC1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C24H28N2O2S/c1-25(29(27,28)24-14-13-22-11-5-6-12-23(22)16-24)17-21-10-7-15-26(19-21)18-20-8-3-2-4-9-20/h2-6,8-9,11-14,16,21H,7,10,15,17-19H2,1H3/t21-/m0/s1","","2015-09-25","2016-09-30","N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide","2016-10-05"],["HTW","(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one","C18 H18 N2 O6","OC[CH]1O[C]2(N=C(NC2=O)c3cccc4ccccc34)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)cccc2C3=NC4(C(C(C(C(O4)CO)O)O)O)C(=O)N3","InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1","","2018-12-19","2019-06-21","(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one","2019-06-26"],["5HC","2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)","C10 H16 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)CO)CC2O;NC1=NC(=O)N(C=C1CO)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O","InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1","","2012-08-22","2013-01-11","2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)","2013-01-11"],["5HD","5-(2-hydroxyethyl)nonane-1,9-diol","C11 H24 O3","OCCCCC(CCO)CCCCO;OCCCCC(CCO)CCCCO;C(CCO)CC(CCCCO)CCO","InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2","","2008-07-24","2011-06-04","5-(2-hydroxyethyl)nonane-1,9-diol",""],["HTX","heptan-2-one","C7 H14 O","CCCCCC(C)=O;CCCCCC(=O)C","InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3","2-heptanone","2009-11-05","2021-03-01","heptan-2-one",""],["HTY","(betaR)-beta-hydroxy-D-tyrosine","C9 H11 N O4","O=C(O)C(N)C(O)c1ccc(O)cc1;N[CH]([CH](O)c1ccc(O)cc1)C(O)=O;c1cc(ccc1C(C(C(=O)O)N)O)O","InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1","","2002-09-02","2024-09-27","(betaR)-beta-hydroxy-D-tyrosine",""],["5HE","(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid","C20 H30 O3","O=C(O)CCCC(O)/C=C/C=CCC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCC=CC=C[CH](O)CCCC(O)=O;CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)O)O","InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1","","2008-06-02","2011-06-04","(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid",""],["HTZ","[6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone","C36 H40 Cl2 N6 O2","CN(C)CCCN(C)[CH]1CCN(C1)C(=O)c2[nH]c3cc(Cl)ccc3c2c4n(Cc5ccc(Cl)cc5CO)cnc4c6ccccc6;CN(C)CCCN(C)C1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6","InChI=1S/C36H40Cl2N6O2/c1-41(2)15-7-16-42(3)29-14-17-43(21-29)36(46)34-32(30-13-12-28(38)19-31(30)40-34)35-33(24-8-5-4-6-9-24)39-23-44(35)20-25-10-11-27(37)18-26(25)22-45/h4-6,8-13,18-19,23,29,40,45H,7,14-17,20-22H2,1-3H3/t29-/m0/s1","","2018-12-19","2019-05-10","[6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone","2019-05-15"],["5HF","N-{[(3S)-1-benzylpiperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-sulfonamide","C26 H32 N2 O3 S","C4N(Cc1ccccc1)CC(CN(CCOC)S(=O)(=O)c3ccc2c(cccc2)c3)CC4;COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3;COCCN(CC1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m0/s1","","2015-09-25","2017-01-13","N-{[(3S)-1-benzylpiperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-sulfonamide","2017-01-18"],["HU0","4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol","C14 H12 Br N3 O","Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1;c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O","InChI=1S/C14H12BrN3O/c15-10-5-13(12-8-17-18-14(12)6-10)16-7-9-1-3-11(19)4-2-9/h1-6,8,16,19H,7H2,(H,17,18)","","2021-02-01","2021-07-16","4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol","2021-07-21"],["5HG","{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID","C8 H12 N5 O4 P","O=P(O)(O)COCCn1c2ncnc(c2nc1)N;Nc1ncnc2n(CCOC[P](O)(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N","InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)","","2006-02-23","2011-06-04","{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid",""],["HU1","TERT-BUTYL {(1S)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE","C29 H46 N4 O6","O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C4CCCCC4;CC(C)(C)OC(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3[CH]([CH]2C(=O)N[CH](CC4CCC4)C(=O)C(N)=O)C3(C)C;CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)NC(CC4CCC4)C(=O)C(=O)N)C","InChI=1S/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1","Ketoamide Inhibitor SCH491762, bound form","2007-01-08","2024-09-27","tert-butyl {(1S)-2-[(1R,2S,5S)-2-{[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate",""],["5HH","N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide","C23 H26 N2 O2 S","c1cc2c(cc1)cc(cc2)S(=O)(=O)NCC3CCCN(C3)Cc4ccccc4;O=[S](=O)(NC[CH]1CCCN(C1)Cc2ccccc2)c3ccc4ccccc4c3;c1ccc(cc1)CN2CCCC(C2)CNS(=O)(=O)c3ccc4ccccc4c3","InChI=1S/C23H26N2O2S/c26-28(27,23-13-12-21-10-4-5-11-22(21)15-23)24-16-20-9-6-14-25(18-20)17-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,20,24H,6,9,14,16-18H2/t20-/m0/s1","","2015-09-25","2017-01-13","N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide","2017-01-18"],["HU2","(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI\nC ACID","C34 H52 N4 O7","O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1)CCC)CC(C)C)C(C/C=C/CC(C)C)C(C)C;CCC[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC=CCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[CH](C(O)=O)c1ccccc1;CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC=CCC(C)C)C(C)C","InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1","Ketoamide Inhibitor CVS4819, bound form","2007-01-09","2024-09-27","(2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid",""],["5HI","(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid","C28 H34 F N3 O6","O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NC(c3ccccc3)CO)C(C)C;CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(nc1C(=O)N[CH](CO)c2ccccc2)c3ccc(F)cc3;CC(C)c1c(nc(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NC(CO)c3ccccc3","InChI=1S/C28H34FN3O6/c1-17(2)26-25(28(38)30-23(16-33)18-6-4-3-5-7-18)31-27(19-8-10-20(29)11-9-19)32(26)13-12-21(34)14-22(35)15-24(36)37/h3-11,17,21-23,33-35H,12-16H2,1-2H3,(H,30,38)(H,36,37)/t21-,22-,23-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid",""],["5HJ","(2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one","C13 H15 N O2 S","c3(C1N(C(=O)CS1)C2CC2)ccc(cc3)OC;COc1ccc(cc1)[CH]2SCC(=O)N2C3CC3;COc1ccc(cc1)C2N(C(=O)CS2)C3CC3","InChI=1S/C13H15NO2S/c1-16-11-6-2-9(3-7-11)13-14(10-4-5-10)12(15)8-17-13/h2-3,6-7,10,13H,4-5,8H2,1H3/t13-/m1/s1","","2015-09-25","2016-09-23","(2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one","2016-09-28"],["HU3","(1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol","C14 H18 Br N3 O","O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23;c1c(cc(c2c1[nH]nc2)NCC3CCCCC3O)Br","InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m1/s1","","2021-02-01","2021-07-16","(1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol","2021-07-21"],["5HK","2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]-N,N-dimethylacetamide","C24 H22 N4 O5","[O-][N+](=O)c1ccc(cc1OC)c4cc3Nc2c(cc(cc2)CC(=O)N(C)C)NC(=O)c3cc4;COc1cc(ccc1[N+]([O-])=O)c2ccc3C(=O)Nc4cc(CC(=O)N(C)C)ccc4Nc3c2;CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-]","InChI=1S/C24H22N4O5/c1-27(2)23(29)11-14-4-8-18-20(10-14)26-24(30)17-7-5-15(12-19(17)25-18)16-6-9-21(28(31)32)22(13-16)33-3/h4-10,12-13,25H,11H2,1-3H3,(H,26,30)","","2012-07-06","2012-08-17","2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]-N,N-dimethylacetamide",""],["HU4","TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE","C29 H46 N4 O7","O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(OC2C3)(C)C)C(NC(=O)OC(C)(C)C)C4CCCCC4;CC(C)(C)OC(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3OC(C)(C)[CH]3[CH]2C(=O)N[CH](CC4CCC4)C(=O)C(N)=O;CC1(C2C(O1)CN(C2C(=O)NC(CC3CCC3)C(=O)C(=O)N)C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C)C","InChI=1S/C29H46N4O7/c1-28(2,3)40-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-19-20(29(4,5)39-19)22(33)25(36)31-18(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1","Ketoamide Inhibitor SCH571696, bound form","2007-01-09","2024-09-27","tert-butyl {(1S)-2-[(1R,2S,5R)-2-{[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl}-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate",""],["HU5","(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-{[(TERT-BUTYLAMINO)CARBONYL]AMINO}-3,3-DIMET\nHYLBUTANOYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE","C27 H45 N5 O5","O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C)(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CC3CCC3)C(=O)C(N)=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C","InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,20+/m0/s1","Boceprevir","2007-01-09","2020-10-22","(1R,2S,5S)-N-[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide",""],["5HL","3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one","C15 H18 N2 O","c3cc2C=C(CNC1CC1)C(Nc2c(CC)c3)=O;CCc1cccc2C=C(CNC3CC3)C(=O)Nc12;CCc1cccc2c1NC(=O)C(=C2)CNC3CC3","InChI=1S/C15H18N2O/c1-2-10-4-3-5-11-8-12(9-16-13-6-7-13)15(18)17-14(10)11/h3-5,8,13,16H,2,6-7,9H2,1H3,(H,17,18)","","2015-09-25","2016-09-23","3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one","2016-09-28"],["5HM","5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)","C10 H16 N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)CO)C(O)C2O;NC1=NC(=O)N(C=C1CO)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)CO","InChI=1S/C10H16N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1,5-7,9,14-16H,2-3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1","5-hydroxymethylcytidine 5'-monophosphate","2014-01-22","2020-06-17","5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)","2014-06-25"],["HU6","(1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol","C14 H18 Br N3 O","O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23;c1c(cc(c2c1[nH]nc2)NCC3CCCCC3O)Br","InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m0/s1","","2021-02-01","2021-07-16","(1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol","2021-07-21"],["HU7","1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid","C23 H24 Cl N3 O9","n2c4cc(c(c1c(nc(cc1)N(C)C)OC)cc4c(c2)C(=O)OC3C(C(O)C(C(O3)C(=O)O)O)O)Cl;COc1nc(ccc1c2cc3c([nH]cc3C(=O)O[CH]4O[CH]([CH](O)[CH](O)[CH]4O)C(O)=O)cc2Cl)N(C)C;CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O","InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1","","2018-07-19","2018-08-03","1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid","2018-08-08"],["5HN","5-hydroxypyridine-3-carboxylic acid","C6 H5 N O3","O=C(O)c1cncc(O)c1;Oc1cncc(c1)C(O)=O;c1c(cncc1O)C(=O)O","InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)","5-Hydroxynicotinic Acid","2012-10-01","2020-06-17","5-hydroxypyridine-3-carboxylic acid","2013-09-18"],["5HO","N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide","C11 H12 Cl N3 O2","c1(ccc(nc1)NC(C(N2CCCC2)=O)=O)Cl;Clc1ccc(NC(=O)C(=O)N2CCCC2)nc1;c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2","InChI=1S/C11H12ClN3O2/c12-8-3-4-9(13-7-8)14-10(16)11(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14,16)","","2015-09-25","2016-09-23","N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide","2016-09-28"],["HU8","~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide","C28 H30 Cl2 F N7 O","CC(C)(C)NC(=O)Cc1ccc(Cl)cc1n2c(nc(c3[nH]nnn3)c2c4ccc(F)c(Cl)c4)C5CCCCC5;CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl","InChI=1S/C28H30Cl2FN7O/c1-28(2,3)33-23(39)14-17-9-11-19(29)15-22(17)38-25(18-10-12-21(31)20(30)13-18)24(26-34-36-37-35-26)32-27(38)16-7-5-4-6-8-16/h9-13,15-16H,4-8,14H2,1-3H3,(H,33,39)(H,34,35,36,37)","","2018-12-19","2019-05-10","~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide","2019-05-15"],["5HP","PYROGLUTAMIC ACID","C5 H7 N O3","O=C(O)C1NC(=O)CC1;OC(=O)[CH]1CCC(=O)N1;C1CC(=O)NC1C(=O)O","InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/f/h6,8H","","1999-07-08","2009-01-07","5-oxo-L-proline",""],["HU9","(1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol","C14 H18 Br N3 O","O[CH]1CCCC[CH]1CNc2c(Br)ccc3[nH]ncc23;c1cc(c(c2c1[nH]nc2)NCC3CCCCC3O)Br","InChI=1S/C14H18BrN3O/c15-11-5-6-12-10(8-17-18-12)14(11)16-7-9-3-1-2-4-13(9)19/h5-6,8-9,13,16,19H,1-4,7H2,(H,17,18)/t9-,13+/m0/s1","","2021-02-01","2021-07-16","(1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol","2021-07-21"],["5HQ","1-[6-(furan-2-yl)pyridin-3-yl]methanamine","C10 H10 N2 O","c2(c1occc1)ncc(CN)cc2;NCc1ccc(nc1)c2occc2;c1cc(oc1)c2ccc(cn2)CN","InChI=1S/C10H10N2O/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10/h1-5,7H,6,11H2","","2015-09-25","2016-09-23","1-[6-(furan-2-yl)pyridin-3-yl]methanamine","2016-09-28"],["HUB","HUPERZINE B","C16 H20 N2 O","O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C;CC1=C[CH]2CC3=C(C=CC(=O)N3)[C]4(C1)NCCC[CH]24;CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4","InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1","","2001-11-07","2011-06-04","(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one",""],["HUC","6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine","C14 H17 Br Cl N3","Cl[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23;c1c(cc(c2c1[nH]nc2)NCC3CCCCC3Cl)Br","InChI=1S/C14H17BrClN3/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h5-6,8-9,12,17H,1-4,7H2,(H,18,19)/t9-,12-/m0/s1","","2021-02-01","2021-07-16","6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine","2021-07-21"],["5HR","[(1R)-1-amino-2-(benzylamino)ethyl]phosphonic acid","C9 H15 N2 O3 P","N(Cc1ccccc1)CC(P(=O)(O)O)N;N[CH](CNCc1ccccc1)[P](O)(O)=O;c1ccc(cc1)CNCC(N)P(=O)(O)O","InChI=1S/C9H15N2O3P/c10-9(15(12,13)14)7-11-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2,(H2,12,13,14)/t9-/m1/s1","","2015-09-25","2015-11-20","[(1R)-1-amino-2-(benzylamino)ethyl]phosphonic acid","2015-11-25"],["HUD","tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","C26 H44 N4 O6","O=C(N3C(C(=O)NC(CC1CC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C(C)(C)C;CC(C)(C)OC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CC3CC3)[CH](O)C(N)=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC(CC3CC3)C(C(=O)N)O)C","InChI=1S/C26H44N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-19,31H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15-,16-,17-,18+,19+/m0/s1","ketoamide inhibitor SCH476776, bound form","2007-01-08","2024-09-27","tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate",""],["5HS","3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine","C11 H12 N2 O","c2ncc(CCc1c(con1)C)cc2;Cc1conc1CCc2cccnc2;Cc1conc1CCc2cccnc2","InChI=1S/C11H12N2O/c1-9-8-14-13-11(9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,4-5H2,1H3","","2015-09-28","2016-09-23","3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine","2016-09-28"],["5HT","5-HYDROXY-THYMIDINE","C10 H16 N2 O6","O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)CO;C[C]1(O)CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O;CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)O","InChI=1S/C10H16N2O6/c1-10(17)4-12(9(16)11-8(10)15)7-2-5(14)6(3-13)18-7/h5-7,13-14,17H,2-4H2,1H3,(H,11,15,16)/t5-,6+,7+,10+/m0/s1","","2000-02-24","2011-06-04","5-hydroxythymidine",""],["HUE","6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide","C38 H42 Cl2 N6 O","C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN5CCN(CC5)C6CCCCC6)c7ccc(Cl)cc7;CC(c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7","InChI=1S/C38H42Cl2N6O/c1-26(27-12-14-29(39)15-13-27)46-25-42-35(28-8-4-2-5-9-28)37(46)34-32-17-16-30(40)24-33(32)43-36(34)38(47)41-18-19-44-20-22-45(23-21-44)31-10-6-3-7-11-31/h2,4-5,8-9,12-17,24-26,31,43H,3,6-7,10-11,18-23H2,1H3,(H,41,47)/t26-/m0/s1","","2018-12-19","2019-05-10","6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide","2019-05-15"],["HUF","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C28 H35 N9 O16 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C=O)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O","InChI=1S/C28H35N9O16P2/c1-11-3-13-14(4-12(11)2)37(10-38)19-25(33-28(45)34-26(19)44)35(13)5-15(39)20(41)16(40)6-50-54(46,47)53-55(48,49)51-7-17-21(42)22(43)27(52-17)36-9-32-18-23(29)30-8-31-24(18)36/h3-4,8-10,15-17,20-22,27,39-43H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,29,30,31)(H2,33,34,44,45)/t15-,16+,17+,20-,21+,22+,27+/m0/s1","","2021-02-02","2021-03-19","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2021-03-24"],["5HU","5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE","C10 H15 N2 O9 P","O=C1NC(=O)N(C=C1CO)C2OC(C(O)C2)COP(=O)(O)O;OCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O","InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1","","2002-09-26","2011-06-04","2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)",""],["HUG","1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid","C26 H25 F2 N O9","c4c(ccc(c3c(cc1c(c(cn1)C(=O)OC2C(C(O)C(C(O2)C(=O)O)O)O)c3F)F)c4)C5OCCCC5;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)OC(=O)c2c[nH]c3cc(F)c(c(F)c23)c4ccc(cc4)[CH]5CCCCO5;c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)F)C5CCCCO5","InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1","","2018-07-19","2018-08-03","1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid","2018-08-08"],["5HV","N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[\n4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide","C36 H38 F4 N4 O2 S","CCN(CC)CCN(Cc2ccc(c1ccc(C(F)(F)F)cc1)cc2)C(=O)CN3C(=NC(C4=C3CCC4)=O)SCc5ccc(cc5)F;CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(F)cc5;CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F","InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3","Darapladib","2015-09-28","2020-06-17","N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide","2016-06-15"],["5HW","4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol","C20 H22 O2","Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)C;C[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3;CC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1","InChI=1S/C20H22O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,21-22H,2-4,13H2,1H3/t14-/m1/s1","","2015-09-28","2016-04-29","4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol","2016-05-04"],["HUH","1~{H}-1,2,3-triazole","C2 H3 N3","[nH]1ccnn1;c1cnn[nH]1","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","","2018-12-19","2019-03-22","1~{H}-1,2,3-triazole","2019-03-27"],["5HX","4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol","C22 H24 O","C1C2CCCC(CC1)/C2=C(c3ccc(O)cc3)c4ccccc4;Oc1ccc(cc1)[C](c2ccccc2)=[C]3C4C[CH2]CC3CCC4;c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O","InChI=1S/C22H24O/c23-20-14-12-19(13-15-20)22(16-6-2-1-3-7-16)21-17-8-4-9-18(21)11-5-10-17/h1-3,6-7,12-15,17-18,23H,4-5,8-11H2/b22-21-/t17-,18+","","2015-09-28","2016-04-29","4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol","2016-05-04"],["HUI","(2S)-2-methyl-3-oxidanyl-propanoic acid","C4 H8 O3","C[CH](CO)C(O)=O;CC(CO)C(=O)O","InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1","(S)-3-hydroxyisobutyric acid","2017-08-29","2020-06-17","(2~{S})-2-methyl-3-oxidanyl-propanoic acid","2018-07-11"],["5HY","[(4R)-2,5-dioxoimidazolidin-4-yl]acetic acid","C5 H6 N2 O4","O=C1NC(=O)NC1CC(=O)O;OC(=O)C[CH]1NC(=O)NC1=O;C(C1C(=O)NC(=O)N1)C(=O)O","InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m1/s1","Hydantoin-5-acetic acid","2011-03-21","2021-03-01","[(4R)-2,5-dioxoimidazolidin-4-yl]acetic acid",""],["HUJ","[(1R)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron","C20 H31 B N5 O8","COc1ccc(C(=O)NCCn2cc(nn2)C(=O)N[CH](CC(C)C)[B](O)(O)O)c(OC)c1OC;B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O","InChI=1S/C20H31BN5O8/c1-12(2)10-16(21(29,30)31)23-20(28)14-11-26(25-24-14)9-8-22-19(27)13-6-7-15(32-3)18(34-5)17(13)33-4/h6-7,11-12,16,29-31H,8-10H2,1-5H3,(H,22,27)(H,23,28)/t16-/m0/s1","","2018-07-20","2024-09-27","[3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron","2019-09-11"],["5HZ","4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol","C22 H24 O2","C1CCC2CCCC1C/2=C(/c3ccc(O)cc3)c4ccc(cc4)O;Oc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4;c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O","InChI=1S/C22H24O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,23-24H,1-6H2/t15-,16+","","2015-09-28","2016-04-29","4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol","2016-05-04"],["HUK","butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium","C26 H45 N3","CCCC[NH+](C)[CH](C[NH+](C)CCC1CCCCCC1)Cc2c[nH]c3ccccc23;CCCC[NH+](C)C(Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3","InChI=1S/C26H43N3/c1-4-5-17-29(3)24(19-23-20-27-26-15-11-10-14-25(23)26)21-28(2)18-16-22-12-8-6-7-9-13-22/h10-11,14-15,20,22,24,27H,4-9,12-13,16-19,21H2,1-3H3/p+2/t24-/m0/s1","","2018-12-19","2019-03-22","butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium","2019-03-27"],["HUL","5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one","C16 H12 O6","O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2;COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3;COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O","InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","Hispidulin","2015-01-08","2020-06-17","5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one","2015-08-26"],["5I0","[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[bis(oxidanyl)methyl]-5-methyl-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium","C21 H44 N7 O13","C[NH2+][CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O[CH](C)[C]2(O)C(O)O)O[CH]3[CH](O)[CH](O)[CH](NC(N)=[NH2+])[CH](O)[CH]3NC(N)=[NH2+];CC1C(C(C(O1)OC2C(C(C(C(C2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)OC3C(C(C(C(O3)CO)O)O)[NH2+]C)(C(O)O)O","InChI=1S/C21H41N7O13/c1-4-21(37,18(35)36)15(41-16-8(26-2)12(33)9(30)5(3-29)39-16)17(38-4)40-14-7(28-20(24)25)10(31)6(27-19(22)23)11(32)13(14)34/h4-18,26,29-37H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t4-,5-,6+,7-,8-,9-,10+,11-,12-,13+,14+,15-,16-,17-,21+/m0/s1","hydrated form of streptomycin","2021-07-09","2022-11-23","[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[bis(oxidanyl)methyl]-5-methyl-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium","2022-07-27"],["5I1","N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide","C30 H34 Cl N7 O2","CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[CH](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCCC(C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl","InChI=1S/C30H34ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,8-9,11-14,17-18,22,32H,5-7,10,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/t22-/m1/s1","","2015-08-17","2024-09-27","N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide","2016-06-15"],["HUM","(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C24 H25 F N2 O6 S","C3(C=C(c1ccc(cc1F)OCc2ccccc2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O;C[C](CCN1C=CC(=CC1=O)c2ccc(OCc3ccccc3)cc2F)(C(=O)NO)[S](C)(=O)=O;CC(CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1","","2018-07-20","2019-06-21","(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2019-06-26"],["5I2","naphthalen-1-amine","C10 H9 N","Nc1cccc2ccccc12;c1ccc2c(c1)cccc2N","InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2","","2021-08-17","2022-08-05","naphthalen-1-amine","2022-08-10"],["HUN","butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium","C24 H38 N3 O","CCCC[NH2+][CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3;CCCC[NH2+]C(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3","InChI=1S/C24H37N3O/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1","","2018-12-19","2019-03-22","butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium","2019-03-27"],["HUO","(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","C33 H41 N5 O6 S","CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C(=O)c3sc4ccccc4n3;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)C(C(C)C)NC(=O)OCc4ccccc4","InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m0/s1","","2021-02-02","2021-06-18","(phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate","2021-06-23"],["5I4","~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide","C23 H19 F3 N6 O3 S2","Nc1nccc(n1)c2sc(nc2c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F)[CH]5COCCN5;c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)C4COCCN4)c5ccnc(n5)N","InChI=1S/C23H19F3N6O3S2/c24-12-4-5-14(25)18(10-12)37(33,34)32-15-3-1-2-13(19(15)26)20-21(16-6-7-29-23(27)30-16)36-22(31-20)17-11-35-9-8-28-17/h1-7,10,17,28,32H,8-9,11H2,(H2,27,29,30)/t17-/m0/s1","","2021-07-09","2021-10-29","~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide","2021-11-03"],["5I5","7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE","C11 H13 I N4 O3","Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N;C[CH]1O[CH]([CH](O)[CH]1O)n2cc(I)c3c(N)ncnc23;CC1C(C(C(O1)n2cc(c3c2ncnc3N)I)O)O","InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1","5'-DEOXY-5-IODOTUBERCIDIN;\n(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(METHYL)TETRAHYDROFURAN-3,4-DIOL","2006-10-20","2020-06-17","7-(5-deoxy-beta-D-ribofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["HUP","Huperzine A","C15 H18 N2 O","O=C1C=CC2=C(N1)CC3C=C(CC2(N)/C3=C/C)C;CC=C1[CH]2CC3=C(C=CC(=O)N3)[C]1(N)CC(=C2)C;CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3","InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1","","1999-07-08","2013-10-16","(5R,9R,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one",""],["HUQ","butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium","C26 H42 N3 O","CCCC[N+](C)(C)[CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3;CCCC[N+](C)(C)C(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3","InChI=1S/C26H41N3O/c1-4-5-18-29(2,3)25(19-22-20-28-24-15-11-10-14-23(22)24)26(30)27-17-16-21-12-8-6-7-9-13-21/h10-11,14-15,20-21,25,28H,4-9,12-13,16-19H2,1-3H3/p+1/t25-/m0/s1","","2018-12-19","2019-03-22","butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium","2019-03-27"],["5I6","2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid","C15 H16 N2 O3 S","Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O;C=CCCOc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O","InChI=1S/C15H16N2O3S/c1-2-3-8-20-11-6-4-10(5-7-11)9-12-13(14(18)19)17-15(16)21-12/h2,4-7H,1,3,8-9H2,(H2,16,17)(H,18,19)","","2023-01-09","2023-10-27","2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid","2023-11-01"],["5I7","(phenylmethyl) ~{N}-[(2~{S})-6-[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-6-oxidanyl-2-tridecyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]-1-oxidanylidene-1-[2-(triethyl-$l^{4}-azanyl)ethylamino]hexan-2-yl]carbamate","C51 H86 N9 O16 P2 S","CC[N+](CC)(CC)CCNC(=O)C(NC(=O)OCc1ccccc1)CCCCNC1(OC2C(O)C(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OC2S1)CCCCCCCCCCCCC;CCCCCCCCCCCCC[C]1(NCCCC[CH](NC(=O)OCc2ccccc2)C(=O)NCC[N+](CC)(CC)CC)O[CH]3[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)O[CH]3S1;CCCCCCCCCCCCCC1(OC2C(C(OC2S1)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)NCCCCC(C(=O)NCC[N+](CC)(CC)CC)NC(=O)OCc6ccccc6","InChI=1S/C51H85N9O16P2S/c1-5-9-10-11-12-13-14-15-16-17-22-27-51(57-28-23-21-26-37(47(64)53-29-30-60(6-2,7-3)8-4)58-50(65)70-31-36-24-19-18-20-25-36)75-44-42(62)39(74-49(44)79-51)33-72-78(68,69)76-77(66,67)71-32-38-41(61)43(63)48(73-38)59-35-56-40-45(52)54-34-55-46(40)59/h18-20,24-25,34-35,37-39,41-44,48-49,57,61-63H,5-17,21-23,26-33H2,1-4H3,(H5-,52,53,54,55,58,64,65,66,67,68,69)/p+1/t37-,38+,39+,41+,42+,43+,44+,48+,49+,51+/m0/s1","","2021-07-20","2024-08-02","2-{[(2S)-6-{[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-6-hydroxy-2-tridecyltetrahydro-2H-furo[2,3-d][1,3]oxathiol-2-yl]amino}-2-{[(benzyloxy)carbonyl]amino}hexanoyl]amino}-N,N,N-triethylethan-1-aminium (non-preferred name)","2024-08-07"],["HUR","N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C30 H33 N5 O5 S","COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O)c4sc5ccccc5n4;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC","InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1","","2021-02-02","2021-06-18","~{N}-[(2~{S})-1-[[(2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1~{H}-indole-2-carboxamide","2021-06-23"],["HUT","(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide","C25 H39 N3 O","CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3;CCCCNC(Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3","InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1","","2018-12-19","2019-03-22","(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide","2019-03-27"],["5I8","2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine","C14 H14 N4","Cc1cc(C)nc(n1)N2Cc3ccccc3C2=N;Cc1cc(nc(n1)N2Cc3ccccc3C2=N)C","InChI=1S/C14H14N4/c1-9-7-10(2)17-14(16-9)18-8-11-5-3-4-6-12(11)13(18)15/h3-7,15H,8H2,1-2H3","2-(4,6-Dimethylpyrimidin-2-yl)-2,3-dihydro-1H-isoindol-1-imine; 3466575","2021-07-09","2022-07-15","2-(4,6-dimethylpyrimidin-2-yl)-3~{H}-isoindol-1-imine","2022-07-20"],["HUU","6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide","C29 H28 Cl F3 N4 O2","CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5;CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F","InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)","Telacebec","2021-02-04","2021-07-30","6-chloranyl-2-ethyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide","2021-08-04"],["5I9","~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","C28 H20 F2 N4 O4","Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5Nc6ccccc6Oc45)c(F)c3)cc1;c1ccc2c(c1)Nc3c(c(ccn3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F)O2","InChI=1S/C28H20F2N4O4/c29-16-5-7-17(8-6-16)32-26(35)28(12-13-28)27(36)33-18-9-10-21(19(30)15-18)37-23-11-14-31-25-24(23)38-22-4-2-1-3-20(22)34-25/h1-11,14-15H,12-13H2,(H,31,34)(H,32,35)(H,33,36)","","2021-08-18","2022-08-12","~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2022-08-17"],["HUV","methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate","C15 H20 N O14 P3","O=C(c3ccc1c(ccn1C2CC(C(O2)COP(=O)(O)OP(O)(=O)OP(O)(=O)O)O)c3)OC;COC(=O)c1ccc2n(ccc2c1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;COC(=O)c1ccc2c(c1)ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1","","2018-07-20","2019-03-22","methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate","2019-03-27"],["5IA","2-{[(2S)-6-[(Z)-(1-{[(2R,3R,4R,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxy-2-sulfanyloxolan-3-yl]oxy}tetradecylidene)amino]-2-{[(benzyloxy)carbonyl]amino}hexanoyl]amino}-N,N,N-triethylethan-1-aminium (non-preferred name)","C51 H86 N9 O16 P2 S","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(S)C(O/C(=NCCCCC(NC(=O)OCc3ccccc3)C(=O)NCC[N+](CC)(CC)CC)CCCCCCCCCCCCC)C2O)C(O)C1O;CCCCCCCCCCCCCC(O[CH]1[CH](S)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O)=NCCCC[CH](NC(=O)OCc5ccccc5)C(=O)NCC[N+](CC)(CC)CC;CCCCCCCCCCCCCC(=NCCCCC(C(=O)NCC[N+](CC)(CC)CC)NC(=O)OCc1ccccc1)OC2C(C(OC2S)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C51H85N9O16P2S/c1-5-9-10-11-12-13-14-15-16-17-21-27-40(53-28-23-22-26-37(48(64)54-29-30-60(6-2,7-3)8-4)58-51(65)70-31-36-24-19-18-20-25-36)75-45-43(62)39(74-50(45)79)33-72-78(68,69)76-77(66,67)71-32-38-42(61)44(63)49(73-38)59-35-57-41-46(52)55-34-56-47(41)59/h18-20,24-25,34-35,37-39,42-45,49-50,61-63H,5-17,21-23,26-33H2,1-4H3,(H6-,52,54,55,56,58,64,65,66,67,68,69,79)/p+1/b53-40-/t37-,38+,39+,42+,43+,44+,45+,49+,50+/m0/s1","","2021-07-20","2024-08-02","2-{[(2S)-6-[(Z)-(1-{[(2R,3R,4R,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxy-2-sulfanyloxolan-3-yl]oxy}tetradecylidene)amino]-2-{[(benzyloxy)carbonyl]amino}hexanoyl]amino}-N,N,N-triethylethan-1-aminium (non-preferred name)","2024-08-07"],["HUW","HUPRINE W","C18 H19 Cl N2 O","Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CCO;Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](CC(=C4)CCO)c13;c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)C=C(C4)CCO","InChI=1S/C18H19ClN2O/c19-13-1-2-14-15(9-13)21-16-8-11-5-10(3-4-22)6-12(7-11)17(16)18(14)20/h1-2,5,9,11-12,22H,3-4,6-8H2,(H2,20,21)/t11-,12+/m0/s1","","2012-10-06","2014-09-05","2-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]ethanol","2013-05-29"],["5IB","~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide","C21 H16 N2 O5","COc1ccc(cc1NC(=O)c2cccc3c2oc4ccccc34)C(=O)NO;COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO","InChI=1S/C21H16N2O5/c1-27-18-10-9-12(20(24)23-26)11-16(18)22-21(25)15-7-4-6-14-13-5-2-3-8-17(13)28-19(14)15/h2-11,26H,1H3,(H,22,25)(H,23,24)","","2021-07-09","2021-09-10","~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide","2021-09-15"],["HUX","3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE","C18 H19 Cl N2","Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CC;CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4nc3C2;CCC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)N)C(C2)C1","InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1","","2000-08-09","2011-06-04","(7S,11S)-3-chloro-9-ethyl-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-12-amine",""],["5IC","5-IODO-CYTIDINE-5'-MONOPHOSPHATE","C9 H13 I N3 O8 P","IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1I)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)I","InChI=1S/C9H13IN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6?,8-/m1/s1","","2003-05-13","2011-06-04","4-amino-5-iodo-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one",""],["5ID","(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL","C11 H13 I N4 O4","Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N;Nc1ncnc2n(cc(I)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)I","InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1","5-IODOTUBERCIDIN","2005-10-16","2020-06-17","5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["HUY","1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one","C15 H12 F3 N O","CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O;CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F;CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3","","2018-07-23","2024-09-27","1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one","2019-01-09"],["5IE","~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","C27 H21 F2 N5 O3","Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc(Nc5ccccc5)n4)c(F)c3)cc1;c1ccc(cc1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F","InChI=1S/C27H21F2N5O3/c28-17-6-8-19(9-7-17)31-24(35)27(13-14-27)25(36)32-20-10-11-22(21(29)16-20)37-23-12-15-30-26(34-23)33-18-4-2-1-3-5-18/h1-12,15-16H,13-14H2,(H,31,35)(H,32,36)(H,30,33,34)","","2021-08-23","2022-08-12","~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2022-08-17"],["HUZ","(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide","C25 H40 N4 O","CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C;CCCCNC(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C","InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1","","2018-12-19","2019-03-22","(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide","2019-03-27"],["5IF","N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide","C20 H24 N2 O4","OCc1ccc(cc1)c1ccc(cc1)C(NC(=O)C(C)(C)C)C(=O)NO;CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2;CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO","InChI=1S/C20H24N2O4/c1-20(2,3)19(25)21-17(18(24)22-26)16-10-8-15(9-11-16)14-6-4-13(12-23)5-7-14/h4-11,17,23,26H,12H2,1-3H3,(H,21,25)(H,22,24)/t17-/m1/s1","","2021-07-20","2022-09-09","N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide","2022-09-14"],["HV0","5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide","C29 H29 F3 N4 O3","COc1ccn2nc(C)c(C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5)c2c1;Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F","InChI=1S/C29H29F3N4O3/c1-19-27(26-17-25(38-2)13-16-36(26)34-19)28(37)33-18-20-3-7-23(8-4-20)35-14-11-22(12-15-35)21-5-9-24(10-6-21)39-29(30,31)32/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,33,37)","","2021-02-04","2021-10-22","5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide","2021-10-27"],["HV1","METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE ","C36 H43 Br N4 O7","Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)C(=O)CCC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4;COC(=O)N[CH](C(=O)NN(Cc1ccc(Br)cc1)C(=O)CC[C](O)(Cc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)C(C)(C)C;CC(C)(C)C(C(=O)NN(Cc1ccc(cc1)Br)C(=O)CCC(Cc2ccccc2)(C(=O)NC3c4ccccc4CC3O)O)NC(=O)OC","InChI=1S/C36H43BrN4O7/c1-35(2,3)31(39-34(46)48-4)32(44)40-41(22-24-14-16-26(37)17-15-24)29(43)18-19-36(47,21-23-10-6-5-7-11-23)33(45)38-30-27-13-9-8-12-25(27)20-28(30)42/h5-17,28,30-31,42,47H,18-22H2,1-4H3,(H,38,45)(H,39,46)(H,40,44)/t28-,30+,31-,36-/m1/s1","","2007-04-02","2011-06-04","methyl [(1S)-1-({2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["5IG","6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE","C20 H27 N5 O3","O=C1N(c3c(OC1(C)C)ccc(c2c(nc(nc2N)N)CC)c3)CCCOC;CCc1nc(N)nc(N)c1c2ccc3OC(C)(C)C(=O)N(CCCOC)c3c2;CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC","InChI=1S/C20H27N5O3/c1-5-13-16(17(21)24-19(22)23-13)12-7-8-15-14(11-12)25(9-6-10-27-4)18(26)20(2,3)28-15/h7-8,11H,5-6,9-10H2,1-4H3,(H4,21,22,23,24)","","2006-02-21","2011-06-04","6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one",""],["5IH","3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one","C17 H21 N O3","CC1=C(C)c2ccc(OC[CH]3CCCNC3)cc2OC1=O;CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCCNC3)C","InChI=1S/C17H21NO3/c1-11-12(2)17(19)21-16-8-14(5-6-15(11)16)20-10-13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3/t13-/m0/s1","","2021-07-12","2022-05-13","3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one","2022-05-18"],["HV2","1,1-bis(oxidanylidene)thietan-3-ol","C3 H6 O3 S","OC1C[S](=O)(=O)C1;C1C(CS1(=O)=O)O","InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2","","2018-12-19","2019-03-22","1,1-bis(oxidanylidene)thietan-3-ol","2019-03-27"],["HV4","(5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","C13 H9 N O2 S2","C(#C)COc1ccc(cc1)C=C2/SC(=S)NC2=O;O=C1NC(=S)SC1=Cc2ccc(OCC#C)cc2;C#CCOc1ccc(cc1)C=C2C(=O)NC(=S)S2","InChI=1S/C13H9NO2S2/c1-2-7-16-10-5-3-9(4-6-10)8-11-12(15)14-13(17)18-11/h1,3-6,8H,7H2,(H,14,15,17)/b11-8-","","2018-07-23","2019-03-08","(5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","2019-03-13"],["5II","methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside","C8 H16 O5","CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C;CC1C(C(C(OC1OC)CO)O)O","InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1","","2021-08-18","2022-01-28","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol","2022-02-02"],["5IJ","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate","C30 H39 Cl N2 O9","CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(C)=O)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C)C)C)OC)(NC(=O)O2)O","InChI=1S/C30H39ClN2O9/c1-16-9-8-10-23(39-7)30(37)15-22(41-28(36)32-30)17(2)27-29(4,42-27)24(40-18(3)34)14-25(35)33(5)20-12-19(11-16)13-21(38-6)26(20)31/h8-10,12-13,17,22-24,27,37H,11,14-15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22+,23-,24+,27+,29+,30+/m1/s1","","2021-07-20","2021-12-03","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate","2021-12-08"],["HV5","TERT-BUTYLALANINE","C6 H13 N O2","O=C(O)C(N)C(C)(C)C;CC(C)(C)[CH](N)C(O)=O;CC(C)(C)C(C(=O)O)N","InChI=1/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1/f/h8H","","1999-07-08","2009-01-07","3-methyl-L-valine",""],["5IK","4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one","C26 H25 N O4","CN(Cc1ccccc1)Cc2ccc(COc3ccc4C(=CC(=O)Oc4c3)CO)cc2;CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO","InChI=1S/C26H25NO4/c1-27(15-19-5-3-2-4-6-19)16-20-7-9-21(10-8-20)18-30-23-11-12-24-22(17-28)13-26(29)31-25(24)14-23/h2-14,28H,15-18H2,1H3","","2021-07-12","2022-04-01","4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one","2022-04-06"],["HV6","(Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one","C12 H9 F5 O4","COc1ccc(c(O)c1)C(=O)C=C(O)C(F)(F)C(F)(F)F;COc1ccc(c(c1)O)C(=O)C=C(C(C(F)(F)F)(F)F)O","InChI=1S/C12H9F5O4/c1-21-6-2-3-7(8(18)4-6)9(19)5-10(20)11(13,14)12(15,16)17/h2-5,18,20H,1H3/b10-5-","","2021-02-05","2021-08-13","(~{Z})-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one","2021-08-18"],["5IL","5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide","C20 H20 N4 O4 S","N[S](=O)(=O)c1cccc2C(=O)C=C(Nc3ccccc3N4CCNCC4)C(=O)c12;c1ccc(c(c1)NC2=CC(=O)c3cccc(c3C2=O)S(=O)(=O)N)N4CCNCC4","InChI=1S/C20H20N4O4S/c21-29(27,28)18-7-3-4-13-17(25)12-15(20(26)19(13)18)23-14-5-1-2-6-16(14)24-10-8-22-9-11-24/h1-7,12,22-23H,8-11H2,(H2,21,27,28)","","2021-08-19","2022-08-05","5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide","2022-08-10"],["HV7","1-METHYLAMINE-2-HYDROXY-4-METHOXY-BENZENE","C8 H11 N O2","Oc1cc(OC)ccc1CN;COc1ccc(CN)c(O)c1;COc1ccc(c(c1)O)CN","InChI=1S/C8H11NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,5,9H2,1H3","","1999-07-08","2011-06-04","2-(aminomethyl)-5-methoxyphenol",""],["5IM","2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE","C8 H13 N3 S","Nc1csc(n1)N2CCCCC2;c1c(nc(s1)N2CCCCC2)N","InChI=1S/C8H13N3S/c9-7-6-12-8(10-7)11-4-2-1-3-5-11/h6H,1-5,9H2","","2016-05-04","2016-07-29","2-piperidin-1-yl-1,3-thiazol-4-amine","2016-08-03"],["HV8","BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE","C19 H24 N2 O4","O=C(O)C(NCc1ccc(OC)cc1)C(O)C(N)Cc2ccccc2;COc1ccc(CN[CH]([CH](O)[CH](N)Cc2ccccc2)C(O)=O)cc1;COc1ccc(cc1)CNC(C(C(Cc2ccccc2)N)O)C(=O)O","InChI=1S/C19H24N2O4/c1-25-15-9-7-14(8-10-15)12-21-17(19(23)24)18(22)16(20)11-13-5-3-2-4-6-13/h2-10,16-18,21-22H,11-12,20H2,1H3,(H,23,24)/t16-,17+,18+/m0/s1","","1999-07-08","2011-06-04","(3R,4S)-4-amino-3-hydroxy-N-(4-methoxybenzyl)-5-phenyl-D-norvaline",""],["5IN","N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE","C28 H33 N5 O6 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)COCc2ccccc2)CO)Cc3ccccc3;NC(=N)c1ccc(CNC(=O)[CH](COCc2ccccc2)NC(=O)[CH](CO)N[S](=O)(=O)Cc3ccccc3)cc1;c1ccc(cc1)COCC(C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)C(CO)NS(=O)(=O)Cc3ccccc3","InChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1","","2004-02-25","2011-06-04","N-(benzylsulfonyl)-D-seryl-O-benzyl-N-(4-carbamimidoylbenzyl)-L-serinamide",""],["HV9","4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide","C18 H20 F3 N5 O3 S","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC3CCN(c2nccc(n2)C(F)(F)F)CC3;Cc1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F;Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F","InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27)","","2017-04-20","2018-04-13","4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide","2018-04-18"],["HVA","3-hydroxy-L-valine","C5 H11 N O3","O=C(O)C(N)C(O)(C)C;CC(C)(O)[CH](N)C(O)=O;CC(C)(C(C(=O)O)N)O","InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1","L-beta-hydroxyvaline","2008-06-02","2024-09-27","3-hydroxy-L-valine",""],["5IO","6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","C20 H27 I N4 O4 S","O=S(=O)(c2cc(C1=NC(=C(I)C(=O)N1)CC)c(OCCC)cc2)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(I)C(=O)N2)CC)[S](=O)(=O)N3CCN(C)CC3;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C","InChI=1S/C20H27IN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)","","2011-10-04","2012-09-14","6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one","2012-09-14"],["HVB","1-azanylpropylideneazanium","C3 H9 N2","CCC(N)=[NH2+];CCC(=[NH2+])N","InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1","","2018-12-19","2019-06-21","1-azanylpropylideneazanium","2019-06-26"],["5IP","(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]","C6 H17 O21 P5","O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6+/m1/s1","D-MYO-INS(1,2,3,5,6)P5","2006-08-28","2021-03-13","(1R,2R,3R,4R,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]",""],["HVC","alpha-D-Sorbopyranose","C6 H12 O6","OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m1/s1","","2021-02-05","2022-07-29","(2~{S},3~{R},4~{S},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","2022-08-03"],["5IQ","ISOQUINOLIN-5-AMINE","C9 H8 N2","n2ccc1c(cccc1N)c2;Nc1cccc2cnccc12;c1cc2cnccc2c(c1)N","InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2","5-AMINOISOQUINOLINE","2005-11-18","2020-06-17","isoquinolin-5-amine",""],["5IR","[N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III)","C18 H26 Ir N5 O4 S2","O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc(cc3)S(=O)(=O)[N-]4[Ir+3]NCC4;[Ir+3]|1|NCC[N-]|1[S](=O)(=O)c2ccc(NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)cc2;c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4","InChI=1S/C18H26N5O4S2.Ir/c19-9-10-20-29(26,27)13-7-5-12(6-8-13)21-16(24)4-2-1-3-15-17-14(11-28-15)22-18(25)23-17;/h5-8,14-15,17H,1-4,9-11,19H2,(H,21,24)(H2,22,23,25);/q-1;+3/t14-,15-,17-;/m0./s1","","2014-01-28","2020-06-27","[N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III)","2014-11-05"],["HVD","(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol","C21 H30 O2","C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)C(=C)C)C;CCCCCc1cc(O)cc(O)c1[CH]2C=C(C)CC[CH]2C(C)=C;CCCCCc1cc(cc(c1C2C=C(CCC2C(=C)C)C)O)O","InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1","","2018-07-23","2019-02-08","(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol","2019-02-13"],["5IS","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione","C28 H35 Cl N2 O7","CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(O)C2(C)OC12;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](O)[C]3(C)O[CH]3[CH](C)[CH]4CC1=NC(=O)O4;CC1C2CC(=NC(=O)O2)C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)O)C)C)OC","InChI=1S/C28H35ClN2O7/c1-15-8-7-9-20(35-5)18-13-21(37-27(34)30-18)16(2)26-28(3,38-26)23(32)14-24(33)31(4)19-11-17(10-15)12-22(36-6)25(19)29/h7-9,11-12,16,20-21,23,26,32H,10,13-14H2,1-6H3/b9-7+,15-8+/t16-,20-,21+,23+,26+,28+/m1/s1","","2021-07-20","2021-12-03","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione","2021-12-08"],["HVE","[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium","C12 H18 N5","[NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+]","InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)/p+1","","2018-12-19","2019-03-22","[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium","2019-03-27"],["5IT","5-IODO-THYMIDINE-5'-PHOSPHATE","C9 H12 I N2 O8 P","IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(I)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O","InChI=1/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h11,16-17H","","1999-07-08","2009-01-07","2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)",""],["HVF","Equisetin","C22 H31 N O4","CC=C[CH]1C=C[CH]2C[CH](C)CC[CH]2[C]1(C)C(=O)C3=C(O)[CH](CO)N(C)C3=O;CC=CC1C=CC2CC(CCC2C1(C)C(=O)C3=C(C(N(C3=O)C)CO)O)C","InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24-25H,7,10-12H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,22-/m1/s1","(2R)-4-[[(1S,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2H-pyrrol-5-one","2021-02-10","2022-02-04","(2~{R})-4-[[(1~{S},4~{a}~{S},6~{R},8~{a}~{R})-1,6-dimethyl-2-[(~{E})-prop-1-enyl]-4~{a},5,6,7,8,8~{a}-hexahydro-2~{H}-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2~{H}-pyrrol-5-one","2022-02-09"],["HVG","4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid","C10 H9 N O6","C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N;N[CH](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O;c1cc(c(cc1C(C(=O)O)N)C(=O)O)C(=O)O","InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1","(S)-3,4-Dicarboxyphenylglycine (DCPG)","2018-07-24","2020-06-17","4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid","2018-11-07"],["5IU","5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C9 H12 I N2 O8 P","IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(I)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O","InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","1999-07-08","2024-09-27","2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)",""],["HVH","~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide","C25 H34 N6 O","CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C5CCC5)n3)ccc2C1;CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5","InChI=1S/C25H34N6O/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30)","","2018-12-20","2019-02-22","~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide","2019-02-27"],["5IV","~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide","C27 H23 F4 N3 O3 S","Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc4ccc(N[S](=O)(=O)C5CC5)cc4C(F)(F)F)c1;c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5","InChI=1S/C27H23F4N3O3S/c28-21-3-1-2-17(12-21)16-34-11-10-18-13-19(5-9-25(18)34)26(35)32-15-20-4-6-22(14-24(20)27(29,30)31)33-38(36,37)23-7-8-23/h1-6,9-14,23,33H,7-8,15-16H2,(H,32,35)","","2021-07-12","2022-07-01","~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide","2022-07-06"],["HVI","6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one","C18 H16 N8 O S","Nc1cccc(n1)CN1N=Cc2c(C1=O)n(C)c1nc(Cc3cc[NH]n3)sc12;Cn1c2nc(Cc3cc[nH]n3)sc2c4C=NN(Cc5cccc(N)n5)C(=O)c14;Cn1c2c(c3c1nc(s3)Cc4cc[nH]n4)C=NN(C2=O)Cc5cccc(n5)N","InChI=1S/C18H16N8OS/c1-25-15-12(16-17(25)23-14(28-16)7-10-5-6-20-24-10)8-21-26(18(15)27)9-11-3-2-4-13(19)22-11/h2-6,8H,7,9H2,1H3,(H2,19,22)(H,20,24)","","2023-07-21","2023-12-22","6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one","2023-12-27"],["5IW","(2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide","C32 H40 N4 O5","CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C=Cc2ccccc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(Cc2ccccc2)NC(=O)C=Cc3ccccc3","InChI=1S/C32H40N4O5/c1-22(2)18-27(31(40)34-26(21-37)20-25-14-9-17-33-30(25)39)36-32(41)28(19-24-12-7-4-8-13-24)35-29(38)16-15-23-10-5-3-6-11-23/h3-8,10-13,15-16,21-22,25-28H,9,14,17-20H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H,36,41)/t25-,26-,27-,28-/m0/s1","","2022-02-02","2024-09-27","(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide","2022-04-13"],["HVJ","(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol","C17 H22 O2","c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2;CC(=C)[CH]1CCC(=C[CH]1c2c(C)cc(O)cc2O)C;Cc1cc(cc(c1C2C=C(CCC2C(=C)C)C)O)O","InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1","","2018-07-24","2019-02-08","(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol","2019-02-13"],["5IX","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate","C36 H43 Cl N2 O9","CC1C2CC(O)(NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)Cc3ccccc3)[C]4(C)O[CH]4[CH](C)[CH]5C[C]1(O)NC(=O)O5;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)Cc5ccccc5)C)C)OC)(NC(=O)O2)O","InChI=1S/C36H43ClN2O9/c1-21-11-10-14-28(45-6)36(43)20-27(46-34(42)38-36)22(2)33-35(3,48-33)29(47-31(41)18-23-12-8-7-9-13-23)19-30(40)39(4)25-16-24(15-21)17-26(44-5)32(25)37/h7-14,16-17,22,27-29,33,43H,15,18-20H2,1-6H3,(H,38,42)/b14-10+,21-11+/t22-,27+,28-,29+,33+,35+,36+/m1/s1","","2021-07-20","2021-12-03","(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate","2021-12-08"],["5IY","2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid","C8 H12 N2 O2 S","CC(C)Cc1sc(N)nc1C(O)=O;CC(C)Cc1c(nc(s1)N)C(=O)O","InChI=1S/C8H12N2O2S/c1-4(2)3-5-6(7(11)12)10-8(9)13-5/h4H,3H2,1-2H3,(H2,9,10)(H,11,12)","","2023-01-09","2023-10-27","2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid","2023-11-01"],["HVK","pyridin-2-amine","C5 H6 N2","Nc1ccccn1;c1ccnc(c1)N","InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)","","2018-12-20","2019-06-21","pyridin-2-amine","2019-06-26"],["HVL","(3R,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol","C30 H52 O4","CC1(C)CCC[C](C)(O1)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5[CH](O)C[C]34C;CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)O)C)C","InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1","","2021-02-10","2022-03-18","(3~{R},5~{R},6~{S},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6,12-triol","2022-03-23"],["5IZ","(2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide","C23 H31 N3 O4","CC[CH](C)[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O;CCC(C)C(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C=Cc2ccccc2","InChI=1S/C23H31N3O4/c1-3-16(2)21(26-20(28)12-11-17-8-5-4-6-9-17)23(30)25-19(15-27)14-18-10-7-13-24-22(18)29/h4-6,8-9,11-12,15-16,18-19,21H,3,7,10,13-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b12-11+/t16-,18-,19-,21-/m0/s1","","2022-02-02","2024-09-27","(2~{S},3~{S})-3-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide","2022-04-13"],["5J0","3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol","C22 H24 O2","C1CCC2CCCC1C/2=C(/c3cccc(c3)O)c4ccc(cc4)O;Oc1ccc(cc1)[C](c2cccc(O)c2)=[C]3C4C[CH2]CC3CCC4;c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O","InChI=1S/C22H24O2/c23-19-12-10-17(11-13-19)22(18-8-3-9-20(24)14-18)21-15-4-1-5-16(21)7-2-6-15/h3,8-16,23-24H,1-2,4-7H2/b22-21-/t15-,16+","","2015-09-28","2016-04-29","3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol","2016-05-04"],["HVM","(2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide","C24 H30 N4 O2","C(CNC([C@H]=[C@H]c1cnccc1)=O)CCC2CCN(CC2)C(c3cccc(c3)N)=O;Nc1cccc(c1)C(=O)N2CCC(CCCCNC(=O)C=Cc3cccnc3)CC2;c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)C=Cc3cccnc3","InChI=1S/C24H30N4O2/c25-22-8-3-7-21(17-22)24(30)28-15-11-19(12-16-28)5-1-2-14-27-23(29)10-9-20-6-4-13-26-18-20/h3-4,6-10,13,17-19H,1-2,5,11-12,14-16,25H2,(H,27,29)/b10-9+","","2018-07-25","2018-08-03","(2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide","2018-08-08"],["5J1","4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol","C22 H26 O2","C1CCC2CCCC1C2C(c3ccc(O)cc3)c4ccc(cc4)O;Oc1ccc(cc1)C(C2C3CCCC2CCC3)c4ccc(O)cc4;c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O","InChI=1S/C22H26O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,21-24H,1-6H2/t15-,16+,21-","","2015-09-28","2016-04-29","4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol","2016-05-04"],["HVN","3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","C28 H31 N3 O3","Cn1nc(C)c(c1C)c2cccc3c(CCCO[CH]4CCCc5ccccc45)c([nH]c23)C(O)=O;Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCOC4CCCc5c4cccc5)C(=O)O","InChI=1S/C28H31N3O3/c1-17-25(18(2)31(3)30-17)23-13-7-12-21-22(27(28(32)33)29-26(21)23)14-8-16-34-24-15-6-10-19-9-4-5-11-20(19)24/h4-5,7,9,11-13,24,29H,6,8,10,14-16H2,1-3H3,(H,32,33)/t24-/m1/s1","","2018-12-20","2019-11-01","3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid","2019-11-06"],["5J2","4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol","C19 H14 F N O3","Oc1ccc(cc1)C(=N/c2ccc(F)cc2)c3c(cc(cc3)O)O;Oc1ccc(cc1)C(=Nc2ccc(F)cc2)c3ccc(O)cc3O;c1cc(ccc1C(=Nc2ccc(cc2)F)c3ccc(cc3O)O)O","InChI=1S/C19H14FNO3/c20-13-3-5-14(6-4-13)21-19(12-1-7-15(22)8-2-12)17-10-9-16(23)11-18(17)24/h1-11,22-24H/b21-19+","","2015-09-28","2016-04-29","4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol","2016-05-04"],["HVO","1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone","C18 H20 O3","CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1;CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O","InChI=1S/C18H20O3/c1-12(19)13-5-7-14(8-6-13)21-15-9-10-17(20)16(11-15)18(2,3)4/h5-11,20H,1-4H3","1-[4-(3-tert-Butyl-4-hydroxyphenoxy)phenyl]ethan-1-one","2021-02-10","2021-06-25","1-[4-(3-~{tert}-butyl-4-oxidanyl-phenoxy)phenyl]ethanone","2021-06-30"],["5J4","2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol","C14 H9 N3 O S2","c1(ccc3c(c1)sc(c2scc(n2)O)n3)NC4=CC=C4;Oc1csc(n1)c2sc3cc(NC4=CC=C4)ccc3n2;c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O","InChI=1S/C14H9N3OS2/c18-12-7-19-13(17-12)14-16-10-5-4-9(6-11(10)20-14)15-8-2-1-3-8/h1-7,15,18H","","2015-09-29","2016-09-23","2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol","2016-09-28"],["HVP","2-(fluorosulfonyl)benzene-1-sulfonic acid","C6 H5 F O5 S2","c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1;O[S](=O)(=O)c1ccccc1[S](F)(=O)=O;c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F","InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12)","","2018-07-26","2024-09-27","2-(fluorosulfonyl)benzene-1-sulfonic acid","2019-07-24"],["HVQ","thiophen-3-ylmethylazanium","C5 H8 N S","[NH3+]Cc1cscc1;c1cscc1C[NH3+]","InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1","","2018-12-20","2019-03-22","thiophen-3-ylmethylazanium","2019-03-27"],["5J5","2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid","C14 H12 Cl N3 O7 S2","OS(c2cc(N=Nc1ccc(S(=O)(=O)O)cc1)ccc2NC(=O)CCl)(=O)=O;O[S](=O)(=O)c1ccc(cc1)N=Nc2ccc(NC(=O)CCl)c(c2)[S](O)(=O)=O;c1cc(ccc1N=Nc2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O","InChI=1S/C14H12ClN3O7S2/c15-8-14(19)16-12-6-3-10(7-13(12)27(23,24)25)18-17-9-1-4-11(5-2-9)26(20,21)22/h1-7H,8H2,(H,16,19)(H,20,21,22)(H,23,24,25)/b18-17+","","2015-09-29","2016-10-07","2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid","2016-10-12"],["HVR","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol","C17 H21 N5 O3","CCc1nc(N)nc(N)c1OCCCOc1ncccc1C#CCO;CCc1nc(N)nc(N)c1OCCCOc2ncccc2C#CCO;CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO","InChI=1S/C17H21N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22)","","2022-01-03","2022-02-04","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol","2022-02-09"],["5J6","methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate","C20 H18 Br F N4 O3 S","Fc1cc(Br)c(cc1)c3nc(c2sccn2)nc(c3C(OC)=O)CN4CCOCC4;COC(=O)c1c(CN2CCOCC2)nc(nc1c3ccc(F)cc3Br)c4sccn4;COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4","InChI=1S/C20H18BrFN4O3S/c1-28-20(27)16-15(11-26-5-7-29-8-6-26)24-18(19-23-4-9-30-19)25-17(16)13-3-2-12(22)10-14(13)21/h2-4,9-10H,5-8,11H2,1H3","NVR10-001E2","2015-09-29","2020-06-17","methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate","2015-12-09"],["HVS","(1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate","C13 H11 O4","C(/c1ccccc1)(=CC(C)=[C@H]C(=O)C(O)=O)[O-];CC(C=C([O-])c1ccccc1)=CC(=O)C(O)=O;CC(=CC(=O)C(=O)O)C=C(c1ccccc1)[O-]","InChI=1S/C13H12O4/c1-9(8-12(15)13(16)17)7-11(14)10-5-3-2-4-6-10/h2-8,14H,1H3,(H,16,17)/p-1/b9-8+,11-7-","","2018-07-26","2019-01-25","(1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate","2019-01-30"],["5J7","5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside","C36 H36 O20","c1c(c(O)c(O)cc1C=3Oc2cc(O)cc(O)c2C(=O)C=3OC4OC(C)C(C(C4OC5OC(C(C(C5O)O)O)COC(C=Cc6cc(O)c(O)cc6)=O)O)O)O;C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4cc(O)c(O)c(O)c4)[CH](O[CH]5O[CH](COC(=O)C=Cc6ccc(O)c(O)c6)[CH](O)[CH](O)[CH]5O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)OC5C(C(C(C(O5)COC(=O)C=Cc6ccc(c(c6)O)O)O)O)O)O)O","InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1","","2015-09-29","2016-09-02","5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside","2016-09-07"],["5J8","[[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","C21 H32 N7 O17 P3","NC(=O)C1=CN(CCC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H32N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h4,7-8,10-11,13-16,20-21,29-31H,1-3,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2015-09-30","2016-09-30","[[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate","2016-10-05"],["HVT","(3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione","C32 H47 N3 O4","CC(C)[CH]1NC(=O)C[CH](O)[CH](Cc2ccc3ccccc3c2)NC(=O)CCCCCCCCCCCNC1=O;CC(C)C1C(=O)NCCCCCCCCCCCC(=O)NC(C(CC(=O)N1)O)Cc2ccc3ccccc3c2","InChI=1S/C32H47N3O4/c1-23(2)31-32(39)33-19-13-9-7-5-3-4-6-8-10-16-29(37)34-27(28(36)22-30(38)35-31)21-24-17-18-25-14-11-12-15-26(25)20-24/h11-12,14-15,17-18,20,23,27-28,31,36H,3-10,13,16,19,21-22H2,1-2H3,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,31-/m0/s1","","2018-12-21","2020-01-24","(3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione","2020-01-29"],["HVU","3-(1-methylpiperidin-4-yl)-1H-indol-5-ol","C14 H18 N2 O","CN1CCC(CC1)c2c[nH]c3ccc(O)cc23;CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O","InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3","","2021-02-15","2021-04-09","3-(1-methylpiperidin-4-yl)-1~{H}-indol-5-ol","2021-04-14"],["5J9","3'-{4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1H-1,2,3-triazol-1-yl}-3'-deoxyadenosine","C17 H19 N11 O4","c12c(c(N)ncn1)ncn2C5C(C(n4cc(CN3C(=O)N=C(C=C3)N)nn4)C(O5)CO)O;NC1=NC(=O)N(Cc2cn(nn2)[CH]3[CH](O)[CH](O[CH]3CO)n4cnc5c(N)ncnc45)C=C1;c1c(nnn1C2C(OC(C2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N","InChI=1S/C17H19N11O4/c18-10-1-2-26(17(31)23-10)3-8-4-28(25-24-8)12-9(5-29)32-16(13(12)30)27-7-22-11-14(19)20-6-21-15(11)27/h1-2,4,6-7,9,12-13,16,29-30H,3,5H2,(H2,18,23,31)(H2,19,20,21)/t9-,12-,13-,16-/m1/s1","","2015-09-30","2015-11-13","3'-{4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1H-1,2,3-triazol-1-yl}-3'-deoxyadenosine","2015-11-18"],["5JA","(5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine","C29 H37 N9 O","n1c4c6c(CC(c4cnc1Nc3ccn(CCN2CCN(CC2)CCOC)n3)C)nn(c6c5ccccc5)C;COCCN1CCN(CC1)CCn2ccc(Nc3ncc4[CH](C)Cc5nn(C)c(c6ccccc6)c5c4n3)n2;CC1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC","InChI=1S/C29H37N9O/c1-21-19-24-26(28(35(2)33-24)22-7-5-4-6-8-22)27-23(21)20-30-29(32-27)31-25-9-10-38(34-25)16-15-36-11-13-37(14-12-36)17-18-39-3/h4-10,20-21H,11-19H2,1-3H3,(H,30,31,32,34)/t21-/m1/s1","","2015-09-30","2015-10-09","(5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine","2015-10-14"],["HVV","(4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one","C12 H19 N O3","CC=CCC=[C@H]CCC1(NC(=O)CC1O)O;CC=CCC=CCC[C]1(O)NC(=O)C[CH]1O;CC=CCC=CCCC1(C(CC(=O)N1)O)O","InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)10(14)9-11(15)13-12/h2-3,5-6,10,14,16H,4,7-9H2,1H3,(H,13,15)/b3-2+,6-5+/t10-,12+/m0/s1","cerulenin, bound form","2018-07-26","2024-09-27","(4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one","2019-07-31"],["5JB","(25S)-3-oxocholest-4-en-26-oyl-CoA","C48 H76 N7 O18 P3 S","C[CH](CCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH]4CC[CH]5[CH]6CCC7=CC(=O)CC[C]7(C)[CH]6CC[C]45C;CC(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C","InChI=1S/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1","","2015-09-21","2016-09-30","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanethioate","2016-10-05"],["HVW","(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide","C24 H29 F3 N2 O3 S","CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NCC=C;CC(C)CC(C(=O)NCC=C)NC(c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F","InChI=1S/C24H29F3N2O3S/c1-5-14-28-23(30)21(15-16(2)3)29-22(24(25,26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)33(4,31)32/h5-13,16,21-22,29H,1,14-15H2,2-4H3,(H,28,30)/t21-,22-/m0/s1","","2018-12-21","2024-09-27","(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide","2019-02-06"],["HVX","(2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid","C33 H33 N O4","CCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc3ccc4cccc5ccc2c3c45;CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)CC(CC)C(=O)O","InChI=1S/C33H33NO4/c1-3-5-17-38-29-16-9-21(18-22(4-2)33(36)37)19-26(29)20-34-32(35)28-15-13-25-11-10-23-7-6-8-24-12-14-27(28)31(25)30(23)24/h6-16,19,22H,3-5,17-18,20H2,1-2H3,(H,34,35)(H,36,37)/t22-/m0/s1","","2021-02-19","2021-10-01","(2~{S})-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid","2021-10-06"],["5JC","2,4-dichlorophenol","C6 H4 Cl2 O","Clc1c(ccc(c1)Cl)O;Oc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)O","InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H","","2015-09-30","2016-03-25","2,4-dichlorophenol","2016-03-30"],["5JD","3,4-dichlorophenol","C6 H4 Cl2 O","c1c(Cl)c(Cl)ccc1O;Oc1ccc(Cl)c(Cl)c1;c1cc(c(cc1O)Cl)Cl","InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H","","2015-09-30","2016-09-30","3,4-dichlorophenol","2016-10-05"],["HVY","N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide","C32 H35 Cl N8 O2","CN5CCN(c1ccc(cc1)Nc2nc(c(cn2)C(=O)Nc3c(cccc3C)Cl)Nc4c(cccc4)NC(=O)CC)CC5;CCC(=O)Nc1ccccc1Nc2nc(Nc3ccc(cc3)N4CCN(C)CC4)ncc2C(=O)Nc5c(C)cccc5Cl;CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C","InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)","","2018-07-26","2024-09-27","N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide","2019-07-31"],["5JE","2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE","C10 H8 N4","[nH]1c2ccccc2nc1n3ccnc3;c1ccc2c(c1)[nH]c(n2)n3ccnc3","InChI=1S/C10H8N4/c1-2-4-9-8(3-1)12-10(13-9)14-6-5-11-7-14/h1-7H,(H,12,13)","","2015-09-07","2016-04-08","2-imidazol-1-yl-1H-benzimidazole","2016-04-13"],["HVZ","~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide","C14 H17 Cl N4 O3 S","CC(C)(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[SH](=O)=O;CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O","InChI=1S/C14H17ClN4O3S/c1-14(2,23(21)22)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,16,20)","","2018-12-21","2024-09-27","~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide","2020-04-08"],["HW0","6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H31 N5 O","O(CCCCCc1nc(N)ccc1)C2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3cccc(N)n3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3cccc(n3)N","InChI=1S/C21H31N5O/c1-15-10-18(26-21(23)11-15)12-16-13-24-14-19(16)27-9-4-2-3-6-17-7-5-8-20(22)25-17/h5,7-8,10-11,16,19,24H,2-4,6,9,12-14H2,1H3,(H2,22,25)(H2,23,26)/t16-,19+/m1/s1","","2011-11-23","2012-07-06","6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["5JF","2,3-dichlorophenol","C6 H4 Cl2 O","Clc1c(Cl)cccc1O;Oc1cccc(Cl)c1Cl;c1cc(c(c(c1)Cl)Cl)O","InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H","","2015-09-30","2016-09-30","2,3-dichlorophenol","2016-10-05"],["HW1","6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine","C22 H33 N5 O","O(CCCCCc1nc(N)cc(c1)C)C2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(CCCCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCCCCOC2CNCC2Cc3cc(cc(n3)N)C","InChI=1S/C22H33N5O/c1-15-8-18(26-21(23)10-15)6-4-3-5-7-28-20-14-25-13-17(20)12-19-9-16(2)11-22(24)27-19/h8-11,17,20,25H,3-7,12-14H2,1-2H3,(H2,23,26)(H2,24,27)/t17-,20+/m1/s1","","2012-05-09","2012-07-06","6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine",""],["5JG","6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine","C20 H23 Cl F N5 O2","COc4c(cc(c(c1nc2c(n1)ncc(c2NCC3CCNCC3)Cl)c4)F)OC;COc1cc(F)c(cc1OC)c2[nH]c3ncc(Cl)c(NCC4CCNCC4)c3n2;COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4","InChI=1S/C20H23ClFN5O2/c1-28-15-7-12(14(22)8-16(15)29-2)19-26-18-17(13(21)10-25-20(18)27-19)24-9-11-3-5-23-6-4-11/h7-8,10-11,23H,3-6,9H2,1-2H3,(H2,24,25,26,27)","","2015-10-01","2015-11-20","6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine","2015-11-25"],["HW2","isoquercetin","C21 H20 O12","OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1","","2018-12-28","2019-12-20","2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","2019-12-25"],["5JH","(1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate","C35 H49 Cl N2 O9","CCCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl;CCCCCCC(=O)O[CH]1CC(=O)N(C)c2cc(CC(=CC=C[CH](OC)[C]3(O)C[CH](OC(=O)N3)[CH](C)[CH]4O[C]14C)C)cc(OC)c2Cl;CCCCCCC(=O)OC1CC(=O)N(c2cc(cc(c2Cl)OC)CC(=CC=CC(C3(CC(C(C4C1(O4)C)C)OC(=O)N3)O)OC)C)C","InChI=1S/C35H49ClN2O9/c1-8-9-10-11-15-30(40)46-28-19-29(39)38(5)24-17-23(18-25(43-6)31(24)36)16-21(2)13-12-14-27(44-7)35(42)20-26(45-33(41)37-35)22(3)32-34(28,4)47-32/h12-14,17-18,22,26-28,32,42H,8-11,15-16,19-20H2,1-7H3,(H,37,41)/b14-12+,21-13+/t22-,26-,27-,28+,32+,34+,35+/m1/s1","","2021-07-20","2021-12-03","(1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate","2021-12-08"],["5JJ","N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine","C20 H17 Cl2 N3","c1cc(N)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)CC#CCC;CCC#CCN(c1ccc2nccc(N)c2c1)c3c(Cl)cccc3Cl;CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl","InChI=1S/C20H17Cl2N3/c1-2-3-4-12-25(20-16(21)6-5-7-17(20)22)14-8-9-19-15(13-14)18(23)10-11-24-19/h5-11,13H,2,12H2,1H3,(H2,23,24)","","2015-10-02","2017-03-17","N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine","2017-03-22"],["HW3","(2S)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid","C26 H25 F2 N O5","CC[CH](Cc1ccc(OC)c(c1)C(=O)NCc2ccc(Oc3ccc(F)cc3)c(F)c2)C(O)=O;CCC(Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O","InChI=1S/C26H25F2NO5/c1-3-18(26(31)32)12-16-4-10-23(33-2)21(13-16)25(30)29-15-17-5-11-24(22(28)14-17)34-20-8-6-19(27)7-9-20/h4-11,13-14,18H,3,12,15H2,1-2H3,(H,29,30)(H,31,32)/t18-/m0/s1","","2021-02-19","2021-10-01","(2~{S})-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid","2021-10-06"],["5JK","7alpha-hydroxycholesterol","C27 H46 O2","CC34CCC2C1(CCC(O)CC1=CC(C2C3CCC4C(C)CCCC(C)C)O)C;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C","InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1","(3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol","2015-10-02","2020-06-17","(3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol","2016-04-13"],["HW4","6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H30 F N3 O","Fc1cccc(c1)CCCCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3cccc(c3)F","InChI=1S/C22H30FN3O/c1-16-10-20(26-22(24)11-16)13-18-14-25-15-21(18)27-9-4-2-3-6-17-7-5-8-19(23)12-17/h5,7-8,10-12,18,21,25H,2-4,6,9,13-15H2,1H3,(H2,24,26)/t18-,21+/m0/s1","","2011-11-21","2012-07-06","6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["5JL","2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one","C5 H4 N4 O S2","C2=1NC(NC=1C(NC(N2)=S)=O)=S;O=C1NC(=S)NC2=C1NC(=S)N2;C12=C(NC(=S)N1)NC(=S)NC2=O","InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)","","2015-10-02","2016-05-20","2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one","2016-05-25"],["HW5","6-{[(3S,4S)-4-{[(4E)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H28 F N3 O","Fc1cccc(c1)C=CCCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCC=Cc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCC=Cc3cccc(c3)F","InChI=1S/C22H28FN3O/c1-16-10-20(26-22(24)11-16)13-18-14-25-15-21(18)27-9-4-2-3-6-17-7-5-8-19(23)12-17/h3,5-8,10-12,18,21,25H,2,4,9,13-15H2,1H3,(H2,24,26)/b6-3+/t18-,21+/m0/s1","","2011-11-22","2012-07-06","6-{[(3S,4S)-4-{[(4E)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["HW6","6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H29 Cl F N3 O","Fc1cc(cc(Cl)c1)CCCCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3cc(F)cc(Cl)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3cc(cc(c3)Cl)F","InChI=1S/C22H29ClFN3O/c1-15-7-20(27-22(25)8-15)11-17-13-26-14-21(17)28-6-4-2-3-5-16-9-18(23)12-19(24)10-16/h7-10,12,17,21,26H,2-6,11,13-14H2,1H3,(H2,25,27)/t17-,21+/m1/s1","","2011-11-23","2012-07-06","6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["5JM","4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid","C26 H21 Cl N6 O4","N(c1ccc(C(O)=O)cc1)C(C(NC([C@H]=[C@H]c2cc(Cl)ccc2n3nnnc3)=O)Cc4ccccc4)=O;OC(=O)c1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3cc(Cl)ccc3n4cnnn4)cc1;c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)C=Cc3cc(ccc3n4cnnn4)Cl","InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1","","2015-10-02","2015-12-04","4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid","2015-12-09"],["HW7","6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine","C21 H27 Cl F N3 O2","Fc3cc(OCCCCOC1C(CNC1)Cc2nc(N)cc(c2)C)cc(Cl)c3;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCOc3cc(F)cc(Cl)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCCOc3cc(cc(c3)Cl)F","InChI=1S/C21H27ClFN3O2/c1-14-6-18(26-21(24)7-14)8-15-12-25-13-20(15)28-5-3-2-4-27-19-10-16(22)9-17(23)11-19/h6-7,9-11,15,20,25H,2-5,8,12-13H2,1H3,(H2,24,26)/t15-,20+/m1/s1","","2011-11-23","2012-07-06","6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine",""],["5JN","2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate","C22 H26 N2 O7","Cc1cc(C)cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C(OCCO[N+](=O)[O-])=O)C;Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)OCCO[N+]([O-])=O)cc2)c1;Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C","InChI=1S/C22H26N2O7/c1-15-11-16(2)13-18(12-15)23-20(25)14-17-5-7-19(8-6-17)31-22(3,4)21(26)29-9-10-30-24(27)28/h5-8,11-13H,9-10,14H2,1-4H3,(H,23,25)","","2015-10-02","2015-10-09","2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate","2015-10-14"],["HW8","4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine","C21 H30 N4 O","O(CCCCCc1ncccc1)C2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3ccccn3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3ccccn3","InChI=1S/C21H30N4O/c1-16-11-19(25-21(22)12-16)13-17-14-23-15-20(17)26-10-6-2-3-7-18-8-4-5-9-24-18/h4-5,8-9,11-12,17,20,23H,2-3,6-7,10,13-15H2,1H3,(H2,22,25)/t17-,20+/m1/s1","","2011-11-23","2012-07-06","4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine",""],["5JO","2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)","C13 H16 N5 O7 P","O(CC1C(O)C(OCC#C)C(O1)n2c3c(nc2)c(N)ncn3)P(O)(O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3OCC#C;C#CCOC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O","InChI=1S/C13H16N5O7P/c1-2-3-23-10-9(19)7(4-24-26(20,21)22)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19H,3-4H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1","2'-Propargyl-Adenosine","2015-10-02","2020-06-17","2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)","2015-12-02"],["HW9","4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine","C22 H32 N4 O","O(CCCCCc1nccc(c1)C)C2C(CNC2)Cc3nc(N)cc(c3)C;Cc1ccnc(CCCCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3)c1;Cc1ccnc(c1)CCCCCOC2CNCC2Cc3cc(cc(n3)N)C","InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1","","2011-11-23","2012-07-06","4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine",""],["5JP","N-methyl-L-serine","C4 H9 N O3","O=C(O)C(CO)NC;CN[CH](CO)C(O)=O;CNC(CO)C(=O)O","InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1","","2015-10-02","2024-09-27","N-methyl-L-serine","2015-10-28"],["HWA","3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C7 H7 N O4","OC(=O)C=1NC(C)=CC(C=1O)=O;CC1=CC(=O)C(=C(N1)C(O)=O)O;CC1=CC(=O)C(=C(N1)C(=O)O)O","InChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12)","","2018-07-26","2019-07-26","3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2019-07-31"],["5JQ","2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione","C5 H4 N4 O2 S","C2=1NC(NC=1C(NC(N2)=S)=O)=O;O=C1NC2=C(N1)C(=O)NC(=S)N2;C12=C(NC(=O)N1)NC(=S)NC2=O","InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)","","2015-10-03","2016-05-20","2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione","2016-05-25"],["5JR","N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide","C33 H42 N8 O5","CCC(=O)Nc1ccccc1Nc2ncc3CN(C(=O)N(CCCN4CCN(CC4)C(=O)CC)c3n2)c5cc(OC)cc(OC)c5;CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC","InChI=1S/C33H42N8O5/c1-5-29(42)35-27-10-7-8-11-28(27)36-32-34-21-23-22-41(24-18-25(45-3)20-26(19-24)46-4)33(44)40(31(23)37-32)13-9-12-38-14-16-39(17-15-38)30(43)6-2/h7-8,10-11,18-21H,5-6,9,12-17,22H2,1-4H3,(H,35,42)(H,34,36,37)","","2021-08-19","2024-09-27","~{N}-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4~{H}-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide","2022-03-30"],["HWB","cyanidin","C15 H11 O6","Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3;c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O","InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1","","2018-12-29","2019-12-20","2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol","2019-12-25"],["5JS","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate","C36 H41 Cl N2 O8","CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)Cc3ccccc3)[C]4(C)O[CH]4[CH](C)[CH]5CC1=NC(=O)O5;CC1C2CC(=NC(=O)O2)C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)Cc5ccccc5)C)C)OC","InChI=1S/C36H41ClN2O8/c1-21-11-10-14-27(43-5)25-19-28(45-35(42)38-25)22(2)34-36(3,47-34)30(46-32(41)18-23-12-8-7-9-13-23)20-31(40)39(4)26-16-24(15-21)17-29(44-6)33(26)37/h7-14,16-17,22,27-28,30,34H,15,18-20H2,1-6H3/b14-10+,21-11+/t22-,27-,28+,30+,34+,36+/m1/s1","","2021-07-20","2021-12-03","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate","2021-12-08"],["HWC","3-azanyl-5-bromanyl-1-methyl-pyridin-2-one","C6 H7 Br N2 O","CN1C=C(Br)C=C(N)C1=O;CN1C=C(C=C(C1=O)N)Br","InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3","","2022-02-07","2022-11-18","3-azanyl-5-bromanyl-1-methyl-pyridin-2-one","2022-11-23"],["5JT","(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine","C11 H15 N5","c2nc3c(c(N1CC(CCC1)N)n2)ccn3;N[CH]1CCCN(C1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCC(C3)N","InChI=1S/C11H15N5/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6,12H2,(H,13,14,15)/t8-/m1/s1","","2015-10-05","2017-03-17","(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine","2017-03-22"],["HWD","2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID","C7 H9 N3 O4","O=C(O)C(N)CN1C=CC(=O)NC1=O;N[CH](CN1C=CC(=O)NC1=O)C(O)=O;C1=CN(C(=O)NC1=O)CC(C(=O)O)N","InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1","WILLARDIINE","2002-09-20","2020-06-17","3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",""],["5JU","N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide","C32 H36 Cl N9 O2 S","c6(c(c5c4cc(NC(=O)NCC(NCCCN(C)C3CCCN(c2c1CC=Nc1ncn2)C3)=O)ccc4sc5Cl)cccn6)C;CN(CCCNC(=O)CNC(=O)Nc1ccc2sc(Cl)c(c3cccnc3C)c2c1)[CH]4CCCN(C4)c5ncnc6N=CCc56;Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)C4CCCN(C4)c5c6c(ncn5)N=CC6","InChI=1S/C32H36ClN9O2S/c1-20-23(7-3-11-34-20)28-25-16-21(8-9-26(25)45-29(28)33)40-32(44)37-17-27(43)35-12-5-14-41(2)22-6-4-15-42(18-22)31-24-10-13-36-30(24)38-19-39-31/h3,7-9,11,13,16,19,22H,4-6,10,12,14-15,17-18H2,1-2H3,(H,35,43)(H2,37,40,44)/t22-/m1/s1","","2015-10-05","2017-03-17","N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide","2017-03-22"],["HWE","(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione","C28 H45 N3 O4","CC(C)[CH]1NC(=O)C[CH](O)[CH](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O;CC(C)C1C(=O)NCCCCCCCCCCCC(=O)NC(C(CC(=O)N1)O)Cc2ccccc2","InChI=1S/C28H45N3O4/c1-21(2)27-28(35)29-18-14-9-7-5-3-4-6-8-13-17-25(33)30-23(24(32)20-26(34)31-27)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,27,32H,3-9,13-14,17-20H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1","","2018-12-30","2020-01-24","(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione","2020-01-29"],["5JV","4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid","C13 H17 N2 O7 P","O=C(O)CC/C(N=Cc1c(cnc(c1O)C)COP(O)(O)=O)=C;Cc1ncc(CO[P](O)(O)=O)c(C=NC(=C)CCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(=C)CCC(=O)O)O","InChI=1S/C13H17N2O7P/c1-8(3-4-12(16)17)14-6-11-10(7-22-23(19,20)21)5-15-9(2)13(11)18/h5-6,18H,1,3-4,7H2,2H3,(H,16,17)(H2,19,20,21)/b14-6+","","2015-10-05","2016-10-14","4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid","2016-10-19"],["HWF","(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid","C13 H17 N O2","O=C(O)C(Cc1ccccc1)C1CCNC1;OC(=O)[CH](Cc1ccccc1)[CH]2CCNC2;c1ccc(cc1)CC(C2CCNC2)C(=O)O","InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1","LY3353871","2023-07-22","2024-05-03","(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid","2024-05-08"],["5JW","{[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid","C15 H9 Cl2 N O3","Clc2ccc3c1ccc(cc1C(c3c2)=N/OCC(O)=O)Cl;OC(=O)CON=C1c2cc(Cl)ccc2c3ccc(Cl)cc13;c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl","InChI=1S/C15H9Cl2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20)","","2015-10-06","2016-03-18","{[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid","2016-03-23"],["HWG","N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE","C23 H28 N2 O4","O=C(c1cc(cc(c1)C)C)N(NC(=O)c3ccc2OCCOc2c3C)C(C)(C)C;Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2ccc3OCCOc3c2C)C(C)(C)C;Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C","InChI=1S/C23H28N2O4/c1-14-11-15(2)13-17(12-14)22(27)25(23(4,5)6)24-21(26)18-7-8-19-20(16(18)3)29-10-9-28-19/h7-8,11-13H,9-10H2,1-6H3,(H,24,26)","3,5-DIMETHYL-BENZOIC ACID N-TERT-BUTYL-N'-(5-METHYL-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBONYL)-HYDRAZIDE; BYI6830","2003-11-05","2020-05-27","N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide",""],["HWH","~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide","C12 H13 F N2 O","CC(=O)NCCc1c[nH]c2ccc(F)cc12;CC(=O)NCCc1c[nH]c2c1cc(cc2)F","InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)","","2019-01-01","2020-03-03","~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide","2020-01-08"],["5JX","4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol","C20 H21 F O2","Oc3ccc(/C(c1ccc(cc1)O)=C2/CCC(CC2)CF)cc3;Oc1ccc(cc1)[C](=[C]2CC[CH](CF)CC2)c3ccc(O)cc3;c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O","InChI=1S/C20H21FO2/c21-13-14-1-3-15(4-2-14)20(16-5-9-18(22)10-6-16)17-7-11-19(23)12-8-17/h5-12,14,22-23H,1-4,13H2","","2015-10-06","2016-04-29","4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol","2016-05-04"],["5JY","4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol","C21 H24 O2","Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3;CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3;CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1","InChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3","","2015-10-06","2016-04-29","4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol","2016-05-04"],["HWI","1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid","C20 H27 N5 O4","CCc1nc(N)nc(N)c1OCCCOc1cc(C)ccc1N1CC(C1)C(=O)O;CCc1nc(N)nc(N)c1OCCCOc2cc(C)ccc2N3CC(C3)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C","InChI=1S/C20H27N5O4/c1-3-14-17(18(21)24-20(22)23-14)29-8-4-7-28-16-9-12(2)5-6-15(16)25-10-13(11-25)19(26)27/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,26,27)(H4,21,22,23,24)","","2022-01-03","2022-02-04","1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid","2022-02-09"],["5JZ","N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide","C36 H38 N8 O5","O=C(N2c1ccccc1CCC2)c3ccc4ncn(c4c3)c5nc(nc(OCC)n5)NC(C(=O)NC)Cc6ccc7OC(OCc7c6)(C)C;CCOc1nc(N[CH](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)n4cnc5ccc(cc45)C(=O)N6CCCc7ccccc67;CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)NC(Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC","InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1","","2009-05-04","2011-06-04","N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide",""],["HWJ","3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid","C14 H11 N5 O4","O=C(O)C=1NC(=CC(C=1O)=O)c2ccc(cc2C)c3nnnn3;Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(O)=O)O)c3[nH]nnn3;Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3","InChI=1S/C14H11N5O4/c1-6-4-7(13-16-18-19-17-13)2-3-8(6)9-5-10(20)12(21)11(15-9)14(22)23/h2-5,21H,1H3,(H,15,20)(H,22,23)(H,16,17,18,19)","","2018-07-26","2019-07-26","3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid","2019-07-31"],["HWK","2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid","C16 H14 O4","OC(=O)c1ccccc1CCC2Oc3ccccc3O2;c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O","InChI=1S/C16H14O4/c17-16(18)12-6-2-1-5-11(12)9-10-15-19-13-7-3-4-8-14(13)20-15/h1-8,15H,9-10H2,(H,17,18)","","2019-01-02","2020-01-24","2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid","2020-01-29"],["5K0","4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol","C20 H22 O2","Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC2)C)cc3;C[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3;CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1","InChI=1S/C20H22O2/c1-14-2-4-15(5-3-14)20(16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-14,21-22H,2-5H2,1H3","","2015-10-06","2016-04-29","4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol","2016-05-04"],["5K1","4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol","C20 H22 O2 S","Oc1ccc(cc1)/C(c2ccc(cc2)O)=C3/CC(CCC3)SC;CS[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3;CSC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1","InChI=1S/C20H22O2S/c1-23-19-4-2-3-16(13-19)20(14-5-9-17(21)10-6-14)15-7-11-18(22)12-8-15/h5-12,19,21-22H,2-4,13H2,1H3/t19-/m0/s1","","2015-10-06","2016-04-29","4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol","2016-05-04"],["HWL","Flavoxate","C24 H25 N O4","CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4;CC1=C(Oc2c(cccc2C(=O)OCCN3CCCCC3)C1=O)c4ccccc4","InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3","2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate","2021-02-19","2023-09-15","2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate","2023-02-15"],["HWM","5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one","C13 H11 N5 O2","n1nnnc1c2ccc(cc2)N3C(=CC(C(=C3)O)=O)C;CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O;CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O","InChI=1S/C13H11N5O2/c1-8-6-11(19)12(20)7-18(8)10-4-2-9(3-5-10)13-14-16-17-15-13/h2-7,20H,1H3,(H,14,15,16,17)","","2018-07-26","2019-07-26","5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one","2019-07-31"],["5K2","4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol","C23 H20 O2","C2Cc1ccccc1CC/2=C(c3ccc(cc3)O)c4ccc(cc4)O;Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4;c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2","InChI=1S/C23H20O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h1-4,7-14,24-25H,5-6,15H2","","2015-10-06","2016-04-29","4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol","2016-05-04"],["5K3","4-[(3S)-3-hydroxy-3-methoxypropyl]phenol","C10 H14 O3","Oc1ccc(cc1)CCC(O)OC;CO[CH](O)CCc1ccc(O)cc1;COC(CCc1ccc(cc1)O)O","InChI=1S/C10H14O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,10-12H,4,7H2,1H3/t10-/m0/s1","","2014-03-21","2014-03-28","4-[(3S)-3-hydroxy-3-methoxypropyl]phenol","2014-04-02"],["HWN","3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","C20 H30 N6 S","CN1CC[CH](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C;CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)C3CCN(C3)C)N(C)CCC#N","InChI=1S/C20H30N6S/c1-20(2,3)16-12-15-17(27-16)18(25(5)10-7-9-21)23-19(22-15)26(6)14-8-11-24(4)13-14/h12,14H,7-8,10-11,13H2,1-6H3/t14-/m0/s1","","2019-01-02","2023-09-06","3-[[6-~{tert}-butyl-2-[methyl-[(3~{S})-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","2020-05-06"],["5K4","4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol","C21 H24 O2","Oc3ccc(/C(c1ccc(O)cc1)=C2/CCCC(CC)C2)cc3;CC[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3;CCC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1","InChI=1S/C21H24O2/c1-2-15-4-3-5-18(14-15)21(16-6-10-19(22)11-7-16)17-8-12-20(23)13-9-17/h6-13,15,22-23H,2-5,14H2,1H3/t15-/m0/s1","","2015-10-06","2016-04-29","4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol","2016-05-04"],["HWO","(2R)-7-[(2R,3R,4R,5S,6S)-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one","C28 H34 O15","COc1ccc(cc1O)[CH]2CC(=O)c3c(O)cc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)cc3O2;CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3cc(c4c(c3)OC(CC4=O)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O","InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17+,19-,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1","","2021-02-20","2023-02-10","(2~{R})-7-[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-[(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one","2023-02-15"],["5K5","4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol","C23 H26 O2","C1/C(CCC2C1CCCC2)=C(/c3ccc(cc3)O)c4ccc(O)cc4;Oc1ccc(cc1)C(=C2CC[CH]3CCCC[CH]3C2)c4ccc(O)cc4;c1cc(ccc1C(=C2CCC3CCCCC3C2)c4ccc(cc4)O)O","InChI=1S/C23H26O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h7-14,16,19,24-25H,1-6,15H2/t16-,19-/m1/s1","","2015-10-06","2016-04-29","4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol","2016-05-04"],["HWP","[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate","C39 H79 N2 O6 P","CCCCCCCCCCCCCCCC(=O)N[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1","N-Palmitoylsphingomyelin","2022-05-27","2022-06-17","[(~{E},2~{S},3~{R})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate","2022-06-22"],["HWQ","3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile","C16 H22 N6 S","CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3;CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3","InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3","","2019-01-02","2020-05-01","3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile","2020-05-06"],["5K7","methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate","C22 H24 O4","Oc3ccc(C(=C1/CCC(CC(=O)OC)CC1)c2ccc(cc2)O)cc3;COC(=O)C[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3;COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1","InChI=1S/C22H24O4/c1-26-21(25)14-15-2-4-16(5-3-15)22(17-6-10-19(23)11-7-17)18-8-12-20(24)13-9-18/h6-13,15,23-24H,2-5,14H2,1H3","","2015-10-08","2016-04-29","methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate","2016-05-04"],["5K8","dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate","C24 H26 O6","Oc1ccc(cc1)C(=C2/CC(CCC2)C(C(=O)OC)C(OC)=O)c3ccc(cc3)O;COC(=O)C([CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3)C(=O)OC;COC(=O)C(C1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC","InChI=1S/C24H26O6/c1-29-23(27)22(24(28)30-2)18-5-3-4-17(14-18)21(15-6-10-19(25)11-7-15)16-8-12-20(26)13-9-16/h6-13,18,22,25-26H,3-5,14H2,1-2H3/t18-/m0/s1","","2015-10-08","2016-04-29","dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate","2016-05-04"],["HWR","(2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-2-[[(2R,4R)-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol","C27 H34 O14","C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2Oc3cc(O)c4[CH](O)C[CH](Oc4c3)c5ccc(O)cc5)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3cc(c4c(c3)OC(CC4O)c5ccc(cc5)O)O)CO)O)O)O)O)O","InChI=1S/C27H34O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,15-16,18,20-36H,8-9H2,1H3/t10-,15-,16-,18+,20+,21+,22-,23+,24-,25-,26+,27-/m1/s1","","2021-02-20","2023-02-10","(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol","2023-02-15"],["5K9","(9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol","C21 H32 O2","CCCCCc1cc(O)c2[CH]3C[CH](C)CC[CH]3C(C)(C)Oc2c1;CCCCCc1cc(c2c(c1)OC(C3C2CC(CC3)C)(C)C)O","InChI=1S/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17+/m1/s1","","2021-07-12","2022-12-23","(9~{R})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol","2022-12-28"],["HWS","COPROGEN","C35 H53 Fe N6 O13","C6(C1NC(=O)C(CCCN3O[Fe]245(ON(CCC1)C(C=C(/C)CCO)=O2)O=C(N(CCCC(C(OCCC(=CC3=O4)C)=O)NC(C)=O)O5)[C@H]=C(CCO)C)N6)=O;CC(=O)N[CH]1CCC[N](O[Fe]2O[N](CCC[CH]3NC(=O)[CH](CCC[N](O2)C(=O)C=C(C)CCOC1=O)NC3=O)C(=O)C=C(C)CCO)C(=O)C=C(C)CCO;CC1=CC2=O[Fe]345(O=C(N(O3)CCCC6C(=O)NC(CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCCC(C(=O)OCC1)NC(=O)C)C=C(C)CCO","InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+;/t27-,28-,29-;/m0./s1","{5-[(hydroxy-kappaO){3-[5-(3-{(hydroxy-kappaO)[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}amino]-3-methyl-5-(oxo-kappaO)pent-3-en-1-yl N~2~-acetyl-N~5~-hydroxy-kappaO-N~5~-[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]-L-ornithinatato(3-)}iron","2018-07-27","2021-03-13","{5-[(hydroxy-kappaO){3-[5-(3-{(hydroxy-kappaO)[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}amino]-3-methyl-5-(oxo-kappaO)pent-3-en-1-yl N~2~-acetyl-N~5~-hydroxy-kappaO-N~5~-[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]-L-ornithinatato(3-)}iron","2019-04-10"],["5KA","4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol","C25 H31 F O3","Oc1ccc(cc1)/C(c2ccc(cc2)O)=C3CCC(CCOCCCCF)CC3;Oc1ccc(cc1)[C](=[C]2CC[CH](CCOCCCCF)CC2)c3ccc(O)cc3;c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O","InChI=1S/C25H31FO3/c26-16-1-2-17-29-18-15-19-3-5-20(6-4-19)25(21-7-11-23(27)12-8-21)22-9-13-24(28)14-10-22/h7-14,19,27-28H,1-6,15-18H2","","2015-10-08","2016-04-29","4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol","2016-05-04"],["HWT","3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","C16 H24 N6 S","CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N;CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N","InChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3","","2019-01-02","2020-05-01","3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","2020-05-06"],["HWU","(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C17 H27 N3 O16 P2 S","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3SC(C(O)C(O)C3NC(=O)C)CO)O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)S[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(SC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12+,13-,14-,15-,16?/m1/s1","URIDINE DIPHOSPHO-5-THIO-N-ACETYLGALACTOSAMINE","2014-04-30","2021-03-01","(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-05-28"],["5KB","4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol","C25 H24 O2","Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)c4ccccc4;Oc1ccc(cc1)C(=C2CCC[CH](C2)c3ccccc3)c4ccc(O)cc4;c1ccc(cc1)C2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2","InChI=1S/C25H24O2/c26-23-13-9-19(10-14-23)25(20-11-15-24(27)16-12-20)22-8-4-7-21(17-22)18-5-2-1-3-6-18/h1-3,5-6,9-16,21,26-27H,4,7-8,17H2/t21-/m1/s1","","2015-10-08","2016-04-29","4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol","2016-05-04"],["5KC","(2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid","C6 H12 N2 O5","N[CH]([CH](O)CNCC(O)=O)C(O)=O;C(C(C(C(=O)O)N)O)NCC(=O)O","InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1","","2021-08-20","2022-02-18","(2~{S},3~{S})-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid","2022-02-23"],["HWV","N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","C28 H30 F N3 O4","N2(C)C=C(c1cc(C(NCC)=O)nc1C2=O)c3cc(C(C)(O)C)ccc3Oc4c(cc(F)cc4C)C;CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O)c2c1;CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C","InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)","","2018-07-27","2019-07-26","N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide","2019-07-31"],["HWW","3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","C20 H32 N6 S","CN(C)CCCN(C)c1nc2cc(sc2c(n1)N(C)CCC#N)C(C)(C)C;CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N","InChI=1S/C20H32N6S/c1-20(2,3)16-14-15-17(27-16)18(25(6)12-8-10-21)23-19(22-15)26(7)13-9-11-24(4)5/h14H,8-9,11-13H2,1-7H3","","2019-01-02","2020-05-01","3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","2020-05-06"],["5KD","4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol","C26 H26 O3","Oc1ccc(cc1)C(=C2/CC(CCC2)c3ccc(OC)cc3)c4ccc(cc4)O;COc1ccc(cc1)[CH]2CCCC(C2)=C(c3ccc(O)cc3)c4ccc(O)cc4;COc1ccc(cc1)C2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2","InChI=1S/C26H26O3/c1-29-25-15-9-18(10-16-25)21-3-2-4-22(17-21)26(19-5-11-23(27)12-6-19)20-7-13-24(28)14-8-20/h5-16,21,27-28H,2-4,17H2,1H3/t21-/m0/s1","","2015-10-08","2016-04-29","4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol","2016-05-04"],["5KE","4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol","C25 H24 O3","Oc1ccc(cc1)/C(c2ccc(O)cc2)=C4/CCCC(c3ccc(cc3)O)C4;Oc1ccc(cc1)[CH]2CCCC(C2)=C(c3ccc(O)cc3)c4ccc(O)cc4;c1cc(ccc1C2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O","InChI=1S/C25H24O3/c26-22-10-4-17(5-11-22)20-2-1-3-21(16-20)25(18-6-12-23(27)13-7-18)19-8-14-24(28)15-9-19/h4-15,20,26-28H,1-3,16H2/t20-/m0/s1","","2015-10-08","2016-04-29","4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol","2016-05-04"],["HWX","2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid","C11 H20 N4 O6","C[CH](NC(=O)[CH](CCNCC(O)=O)NC(C)=O)C(=O)NO;CC(C(=O)NO)NC(=O)C(CCNCC(=O)O)NC(=O)C","InChI=1S/C11H20N4O6/c1-6(10(19)15-21)13-11(20)8(14-7(2)16)3-4-12-5-9(17)18/h6,8,12,21H,3-5H2,1-2H3,(H,13,20)(H,14,16)(H,15,19)(H,17,18)/t6-,8+/m1/s1","","2021-02-22","2022-02-18","2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid","2022-02-23"],["HWY","(3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C34 H41 N3 O8 S","C(N(CC(C(Cc1ccccc1)NC(=O)OC4CC2C(OC(=O)N2c3ccccc3)C4)O)S(c5ccc(cc5)OC)(=O)=O)C(C)C;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4OC(=O)N([CH]4C3)c5ccccc5;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C34H41N3O8S/c1-23(2)21-36(46(41,42)28-16-14-26(43-3)15-17-28)22-31(38)29(18-24-10-6-4-7-11-24)35-33(39)44-27-19-30-32(20-27)45-34(40)37(30)25-12-8-5-9-13-25/h4-17,23,27,29-32,38H,18-22H2,1-3H3,(H,35,39)/t27-,29+,30+,31-,32-/m1/s1","","2018-07-27","2018-11-02","(3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2018-11-07"],["5KF","4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol","C21 H24 O3","Oc1ccc(cc1)C(=C2CCCC(C2)CCO)c3ccc(cc3)O;OCC[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3;c1cc(ccc1C(=C2CCCC(C2)CCO)c3ccc(cc3)O)O","InChI=1S/C21H24O3/c22-13-12-15-2-1-3-18(14-15)21(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17/h4-11,15,22-24H,1-3,12-14H2/t15-/m1/s1","","2015-10-08","2016-04-29","4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol","2016-05-04"],["5KG","4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol","C21 H24 O3","c1c(ccc(c1)O)/C(c2ccc(cc2)O)=C3CCC(CC3)CCO;OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3;c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O","InChI=1S/C21H24O3/c22-14-13-15-1-3-16(4-2-15)21(17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h5-12,15,22-24H,1-4,13-14H2","","2015-10-08","2016-04-29","4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol","2016-05-04"],["HWZ","3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile","C19 H26 N6","CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N;CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N","InChI=1S/C19H26N6/c1-23-13-9-15(10-14-23)25(3)19-21-17-8-5-4-7-16(17)18(22-19)24(2)12-6-11-20/h4-5,7-8,15H,6,9-10,12-14H2,1-3H3","","2019-01-02","2020-05-01","3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile","2020-05-06"],["5KH","N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide","C25 H19 F3 N2 O3","c1cc(C(F)(F)F)cc(c1)C(N(c2cn(C(C)=O)c3c2cccc3)c4cc(ccc4C)O)=O;CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c3cc(O)ccc3C)c4ccccc14;Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O","InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3","","2015-10-12","2015-10-16","N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide","2015-10-21"],["HX0","N,N,N-trioctyloctan-1-aminium","C32 H68 N","[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC;CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC;CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC","InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1","","2008-08-14","2011-06-04","N,N,N-trioctyloctan-1-aminium",""],["5KI","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate","C30 H37 Cl N2 O8","CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3=CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(C)=O)[C]3(C)O[CH]3[CH](C)[CH]4OC(=O)NC1=C4;CC1C2C=C(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C)C)C)OC)NC(=O)O2","InChI=1S/C30H37ClN2O8/c1-16-9-8-10-22(37-6)20-14-23(40-29(36)32-20)17(2)28-30(4,41-28)25(39-18(3)34)15-26(35)33(5)21-12-19(11-16)13-24(38-7)27(21)31/h8-10,12-14,17,22-23,25,28H,11,15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22-,23+,25+,28+,30+/m1/s1","","2021-07-20","2021-12-03","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate","2021-12-08"],["HX1","4-butylbenzoic acid","C11 H14 O2","O=C(O)c1ccc(CCCC)cc1;CCCCc1ccc(cc1)C(O)=O;CCCCc1ccc(cc1)C(=O)O","InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)","","2023-08-24","2023-08-25","4-butylbenzoic acid","2023-08-30"],["HX2","(2R,5R)-hexane-2,5-diol","C6 H14 O2","OC(C)CCC(O)C;C[CH](O)CC[CH](C)O;CC(CCC(C)O)O","InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1","","2011-04-05","2011-07-15","(2R,5R)-hexane-2,5-diol",""],["5KJ","N~5~-(N-hydroxycarbamimidoyl)-N~5~-methyl-L-ornithine","C7 H16 N4 O3","O=C(O)C(N)CCCN(C(=[N@H])NO)C;CN(CCC[CH](N)C(O)=O)C(=N)NO;CN(CCCC(C(=O)O)N)C(=N)NO","InChI=1S/C7H16N4O3/c1-11(7(9)10-14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H2,9,10)(H,12,13)/t5-/m0/s1","","2012-07-13","2013-05-10","N~5~-(N-hydroxycarbamimidoyl)-N~5~-methyl-L-ornithine","2013-05-15"],["5KK","1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane","C12 H30 N8","C1N2CNCCNCN(CNCCN1)CNCCNC2;C1CNCN2CNCCNCN(CN1)CNCCNC2;C1CNCN2CNCCNCN(CN1)CNCCNC2","InChI=1S/C12H30N8/c1-2-14-8-20-11-17-5-3-15-9-19(7-13-1)10-16-4-6-18-12-20/h13-18H,1-12H2","","2015-10-12","2016-09-23","1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane","2016-09-28"],["HX3","(3,4-dichlorophenyl)hydrazine","C6 H6 Cl2 N2","c1(Cl)c(Cl)ccc(c1)NN;NNc1ccc(Cl)c(Cl)c1;c1cc(c(cc1NN)Cl)Cl","InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2","","2018-02-06","2018-12-07","(3,4-dichlorophenyl)hydrazine","2018-12-12"],["5KL","(2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one","C11 H13 N O2","CN(C=CC(=O)c1c(cccc1)O)C;CN(C)C=CC(=O)c1ccccc1O;CN(C)C=CC(=O)c1ccccc1O","InChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b8-7+","","2015-10-12","2016-10-07","(2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one","2016-10-12"],["HX4","5-phenyl-1H-pyrazol-3-amine","C9 H9 N3","c2cccc(c1nnc(N)c1)c2;Nc1cc([nH]n1)c2ccccc2;c1ccc(cc1)c2cc(n[nH]2)N","InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)","","2018-02-06","2018-12-07","5-phenyl-1H-pyrazol-3-amine","2018-12-12"],["5KM","2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid","C17 H17 N O6","OC[CH]1OC=C[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O;c1cc(cc2c1ccc(n2)COC3C=COC(C3O)CO)C(=O)O","InChI=1S/C17H17NO6/c19-8-15-16(20)14(5-6-23-15)24-9-12-4-3-10-1-2-11(17(21)22)7-13(10)18-12/h1-7,14-16,19-20H,8-9H2,(H,21,22)/t14-,15-,16-/m1/s1","","2021-07-13","2021-12-10","2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid","2021-12-15"],["HX5","4,6-dichloro-2-(methylsulfanyl)pyrimidine","C5 H4 Cl2 N2 S","c1c(Cl)nc(nc1Cl)SC;CSc1nc(Cl)cc(Cl)n1;CSc1nc(cc(n1)Cl)Cl","InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3","","2018-02-06","2018-12-07","4,6-dichloro-2-(methylsulfanyl)pyrimidine","2018-12-12"],["HX6","N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide","C14 H14 N2 O4 S","N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1;c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO","InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)","","2021-02-22","2022-02-18","~{N}-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide","2022-02-23"],["5KN","2,4-di(morpholin-4-yl)aniline","C14 H21 N3 O2","c1c(N)c(cc(c1)N2CCOCC2)N3CCOCC3;Nc1ccc(cc1N2CCOCC2)N3CCOCC3;c1cc(c(cc1N2CCOCC2)N3CCOCC3)N","InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2","","2015-10-13","2017-03-24","2,4-di(morpholin-4-yl)aniline","2017-03-29"],["5KO","(3R)-3-hydroxybutanal","C4 H8 O2","O=CCC(C)O;C[CH](O)CC=O;CC(CC=O)O","InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","Faropenem adduct","2015-10-13","2024-09-27","(3R)-3-hydroxybutanal","2016-10-26"],["HX7","N-{4-[(2S)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C22 H30 Cl2 N2 O4 S","CS(=O)(=O)Nc1ccc(cc1)OCC(O)CN(CCCC)CCc2cc(Cl)c(Cl)cc2;CCCCN(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2;CCCCN(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O","InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m0/s1","","2018-07-30","2019-01-25","N-{4-[(2S)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["5KP","N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide","C24 H24 Cl N5 O2","Cc1c(cccc1NC(=O)CCCN2C(=O)c3c(C(=N2)C)c(C)n(n3)c4ccccc4)Cl;CC1=NN(CCCC(=O)Nc2cccc(Cl)c2C)C(=O)c3nn(c(C)c13)c4ccccc4;Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C","InChI=1S/C24H24ClN5O2/c1-15-19(25)11-7-12-20(15)26-21(31)13-8-14-29-24(32)23-22(16(2)27-29)17(3)30(28-23)18-9-5-4-6-10-18/h4-7,9-12H,8,13-14H2,1-3H3,(H,26,31)","","2015-10-13","2016-04-29","N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide","2016-05-04"],["HX8","4-phenoxyphenol","C12 H10 O2","c2cccc(Oc1ccc(cc1)O)c2;Oc1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)O","InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H","","2018-01-19","2018-12-07","4-phenoxyphenol","2018-12-12"],["5KQ","(6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid","C13 H22 N2 O9","CC(=O)NC1C(OC(CC1O)(O)C(O)=O)C(O)C(CNC(=O)C)O;CC(=O)NC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=O)C(O)=O;CC(=O)NCC(C(C1C(C(CC(O1)(C(=O)O)O)O)NC(=O)C)O)O","InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8-,9+,10-,11+,13+/m0/s1","(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic\nacid; (6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulosonic acid;\n(6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulosonic acid;\n(6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-threo-hex-2-ulosonic acid","2015-10-14","2020-07-17","(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic\nacid","2016-03-23"],["HX9","(2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid","C14 H24 N4 O7","C[CH](NC(=O)[CH](CCC[CH](NC(C)=O)C(O)=O)NC(C)=O)C(=O)NO;CC(C(=O)NO)NC(=O)C(CCCC(C(=O)O)NC(=O)C)NC(=O)C","InChI=1S/C14H24N4O7/c1-7(12(21)18-25)15-13(22)10(16-8(2)19)5-4-6-11(14(23)24)17-9(3)20/h7,10-11,25H,4-6H2,1-3H3,(H,15,22)(H,16,19)(H,17,20)(H,18,21)(H,23,24)/t7-,10+,11-/m1/s1","","2021-02-22","2022-02-18","(2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid","2022-02-23"],["HXA","DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID","C22 H32 O2","O=C(O)CCC=C/C/C=CCC=C/CC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O;CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O","InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-","","2000-08-03","2011-06-04","(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid",""],["5KR","2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid","C21 H17 Br N2 O5 S","c1(cc(c(C)cc1)S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3c(cccc3)C(O)=O;Cc1ccc(cc1[S](=O)(=O)Nc2ccc(Br)cc2)C(=O)Nc3ccccc3C(O)=O;Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O","InChI=1S/C21H17BrN2O5S/c1-13-6-7-14(20(25)23-18-5-3-2-4-17(18)21(26)27)12-19(13)30(28,29)24-16-10-8-15(22)9-11-16/h2-12,24H,1H3,(H,23,25)(H,26,27)","","2015-10-14","2016-01-22","2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid","2016-01-27"],["HXB","4'-methylthymidine 5'-(tetrahydrogen triphosphate)","C11 H19 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2(OC(N1C(=O)NC(=O)C(=C1)C)CC2O)C;CC1=CN([CH]2C[CH](O)[C](C)(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C11H19N2O14P3/c1-6-4-13(10(16)12-9(6)15)8-3-7(14)11(2,25-8)5-24-29(20,21)27-30(22,23)26-28(17,18)19/h4,7-8,14H,3,5H2,1-2H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,11+/m0/s1","","2010-03-31","2011-06-04","4'-methylthymidine 5'-(tetrahydrogen triphosphate)",""],["5KS","3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside","C28 H30 F2 N6 O8 S","C(C4C(O)C(C(O)C(SC1C(O)C(C(C(O1)CO)O)n3nnc(c2ccc(F)cc2)c3)O4)n5cc(nn5)c6ccc(F)cc6)O;OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)[CH](O)[CH]([CH]1O)n5cc(nn5)c6ccc(F)cc6;c1cc(ccc1c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F","InChI=1S/C28H30F2N6O8S/c29-15-5-1-13(2-6-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-3-7-16(30)8-4-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1","","2015-10-14","2016-08-18","3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside","2016-08-23"],["HXC","HEXANOYL-COENZYME A","C27 H46 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCC;CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1","","1999-07-08","2011-06-04","S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} hexanethioate (non-preferred name)",""],["5KT","3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside","C24 H28 N6 O8 S3","C(C4C(O)C(C(O)C(SC1C(O)C(C(C(O1)CO)O)n2cc(nn2)c3ccsc3)O4)n5cc(nn5)c6cscc6)O;OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cscc4)[CH](O)[CH]([CH]1O)n5cc(nn5)c6cscc6;c1cscc1c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O","InChI=1S/C24H28N6O8S3/c31-7-15-19(33)17(29-5-13(25-27-29)11-1-3-39-9-11)21(35)23(37-15)41-24-22(36)18(20(34)16(8-32)38-24)30-6-14(26-28-30)12-2-4-40-10-12/h1-6,9-10,15-24,31-36H,7-8H2/t15-,16-,17+,18+,19+,20+,21-,22-,23+,24+/m1/s1","","2015-10-14","2016-08-18","3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside","2016-08-23"],["HXD","(3R)-3-HYDROXYDODECANOIC ACID","C12 H24 O3","O=C(O)CC(O)CCCCCCCCC;CCCCCCCCC[CH](O)CC(O)=O;CCCCCCCCCC(CC(=O)O)O","InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1","3-OH-DODECANOATE","2006-01-31","2024-09-27","(3R)-3-hydroxydodecanoic acid",""],["5KU","(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid","C18 H31 N5 O10","COCCOCCNC(=O)OC(C1C(C(N=C(N)N)C=C(O1)C(O)=O)NC(=O)C)C(CO)O;COCCOCCNC(=O)O[CH]([CH](O)CO)[CH]1OC(=C[CH](N=C(N)N)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N","InChI=1S/C18H31N5O10/c1-9(25)22-13-10(23-17(19)20)7-12(16(27)28)32-15(13)14(11(26)8-24)33-18(29)21-3-4-31-6-5-30-2/h7,10-11,13-15,24,26H,3-6,8H2,1-2H3,(H,21,29)(H,22,25)(H,27,28)(H4,19,20,23)/t10-,11+,13+,14-,15-/m1/s1","","2015-10-15","2020-04-12","(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid","2016-03-02"],["HXE","3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","C18 H26 N6 S","CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N;CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N","InChI=1S/C18H26N6S/c1-4-24-11-6-14(7-12-24)23(3)18-20-15-8-13-25-16(15)17(21-18)22(2)10-5-9-19/h8,13-14H,4-7,10-12H2,1-3H3","","2019-01-02","2020-05-01","3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile","2020-05-06"],["5KV","2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose","C6 H13 N O11 S2","OC1C(C(C(OC1COS(=O)(O)=O)O)NS(O)(=O)=O)O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O;C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O","InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6-/m1/s1","6-O-sulfo-N-sulfo-beta-D-glucosamine; 2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucose;\n2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose","2015-10-15","2020-07-17","2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose","2015-11-18"],["5KW","2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide","C23 H24 Cl2 N6 O2","CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Oc3ccccc3NC(CCl)=O)n4;CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Oc4ccccc4NC(=O)CCl)n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl","InChI=1S/C23H24Cl2N6O2/c1-30-10-12-31(13-11-30)17-8-6-16(7-9-17)27-23-26-15-18(25)22(29-23)33-20-5-3-2-4-19(20)28-21(32)14-24/h2-9,15H,10-14H2,1H3,(H,28,32)(H,26,27,29)","","2015-10-15","2024-09-27","2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide","2016-09-21"],["HXF","2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid","C18 H26 N4 O6","C[CH](NC(=O)[CH](CCN(CC(O)=O)Cc1ccccc1)NC(C)=O)C(=O)NO;CC(C(=O)NO)NC(=O)C(CCN(Cc1ccccc1)CC(=O)O)NC(=O)C","InChI=1S/C18H26N4O6/c1-12(17(26)21-28)19-18(27)15(20-13(2)23)8-9-22(11-16(24)25)10-14-6-4-3-5-7-14/h3-7,12,15,28H,8-11H2,1-2H3,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/t12-,15+/m1/s1","","2021-02-22","2022-02-18","2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid","2022-02-23"],["5KX","2-chloro-1H-imidazole","C3 H3 Cl N2","Clc1nccn1;Clc1[nH]ccn1;c1cnc([nH]1)Cl","InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)","","2015-10-15","2016-03-11","2-chloro-1H-imidazole","2016-03-16"],["HXG","1,2-dihexanoyl-sn-glycero-3-phosphocholine","C20 H41 N O8 P","O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC;CCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC","InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1","(4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide","2014-07-09","2021-03-13","(4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide","2015-03-04"],["5KY","2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid","C16 H14 F3 N3 O3","c1(c(cc(cc1)C)NC(=O)Nc2ccc(C(F)(F)F)cc2N)C(O)=O;Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(cc2N)C(F)(F)F)c1;Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O","InChI=1S/C16H14F3N3O3/c1-8-2-4-10(14(23)24)13(6-8)22-15(25)21-12-5-3-9(7-11(12)20)16(17,18)19/h2-7H,20H2,1H3,(H,23,24)(H2,21,22,25)","BF174","2015-10-15","2020-06-17","2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid","2016-10-26"],["HXH","(1S,2S,3R,6R)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol","C19 H21 N O4","OC3C(NCc2ccc(Oc1ccccc1)cc2)C=CC(O)C3O;O[CH]1C=C[CH](NCc2ccc(Oc3ccccc3)cc2)[CH](O)[CH]1O;c1ccc(cc1)Oc2ccc(cc2)CNC3C=CC(C(C3O)O)O","InChI=1S/C19H21NO4/c21-17-11-10-16(18(22)19(17)23)20-12-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11,16-23H,12H2/t16-,17-,18+,19+/m1/s1","","2008-10-06","2011-06-04","(1S,2S,3R,6R)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol",""],["5KZ","(1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol","C19 H32 N2 O14 S2","C1(OC(C(C(C1OC(C)=O)OC(=O)C)OC(=O)C)COC(=O)C)S(=O)(=O)NCCCCCOS(=O)(=O)N;CC(=O)OC[CH]1O[CH]([CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O)[S](=O)(=O)NCCCCCO[S](N)(=O)=O;CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C","InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16-,17-,18-,19+/m1/s1","","2015-10-15","2015-10-23","(1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol","2015-10-28"],["HXI","(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol","C25 H26 F6 O3","CC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2;CC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#CCC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C25H26F6O3/c1-16(10-11-20-14-21(32)15-22(33)17(20)2)19-9-6-8-18(13-19)7-4-3-5-12-23(34,24(26,27)28)25(29,30)31/h6,8-11,13,21-22,32-34H,2,4,7,12,14-15H2,1H3/b16-10+,20-11-/t21-,22+/m1/s1","","2024-07-31","2024-08-16","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol","2024-08-21"],["5L0","1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone","C21 H20 N4 O2","C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5;CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5;CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5","InChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3","","2015-10-15","2015-10-23","1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone","2015-10-28"],["HXJ","2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium","C21 H44 N2 O6 P","O=P(OCC(NC(=O)CCCCC)C(O)/C=C/CCCCC)(OCC[N+](C)(C)C)O;CCCCCC=C[CH](O)[CH](CO[P](O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCC;CCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O","InChI=1S/C21H43N2O6P/c1-6-8-10-11-13-14-20(24)19(22-21(25)15-12-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h13-14,19-20,24H,6-12,15-18H2,1-5H3,(H-,22,25,26,27)/p+1/b14-13+/t19-,20+/m0/s1","","2014-07-11","2015-02-27","(4S,7S)-4-hydroxy-7-[(1R,2E)-1-hydroxyoct-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphatetradecan-1-aminium 4-oxide","2015-03-04"],["5L1","11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene","C29 H24 F2 N7 Pt","Cn1cc[n](c2ccccn2)c1[Pt](c3cc(F)cc(F)c3c4ccccn4)c5n(cc[n]5C)c6ccccn6;C[N]1=C(N(C=C1)c2ccccn2)[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)C6=[N](C=CN6C)c7ccccn7","InChI=1S/C11H6F2N.2C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2*2-7H,1H3;","","2021-08-19","2022-09-23","11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene","2022-09-28"],["HXK","2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid","C22 H28 O4 S","O=C(O)c2ccccc2SCc1cc(O)cc(OCCCCCCCC)c1;CCCCCCCCOc1cc(O)cc(CSc2ccccc2C(O)=O)c1;CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O","InChI=1S/C22H28O4S/c1-2-3-4-5-6-9-12-26-19-14-17(13-18(23)15-19)16-27-21-11-8-7-10-20(21)22(24)25/h7-8,10-11,13-15,23H,2-6,9,12,16H2,1H3,(H,24,25)","BPH-1182","2011-06-17","2021-03-01","2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid","2016-09-07"],["5L2","methyl\n(2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb\noxylate","C14 H24 N2 O13 S2","C1(C(C(C(C(COC(=O)C)O1)O)O)O)S(=O)(=O)N2CC(OS(=O)(=O)N)CC2C(=O)OC;COC(=O)[CH]1C[CH](CN1[S](=O)(=O)[CH]2O[CH](COC(C)=O)[CH](O)[CH](O)[CH]2O)O[S](N)(=O)=O;CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)N2CC(CC2C(=O)OC)OS(=O)(=O)N)O)O)O","InChI=1S/C14H24N2O13S2/c1-6(17)27-5-9-10(18)11(19)12(20)14(28-9)30(22,23)16-4-7(29-31(15,24)25)3-8(16)13(21)26-2/h7-12,14,18-20H,3-5H2,1-2H3,(H2,15,24,25)/t7-,8+,9+,10-,11-,12-,14+/m1/s1","","2015-10-16","2020-07-17","methyl\n(2S,4R)-1-({(2S,3R,4R,5S,6S)-6-[(acetyloxy)methyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}sulfonyl)-4-(sulfamoyloxy)py\nrrolidine-2-carboxylate (non-preferred name)","2015-10-28"],["HXL","2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE","C21 H18 N6 O","[N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4;NC(=N)c1ccc(Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N)cc1;[H]N=C(c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(=N[H])N)N","InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)","2-(4-{4-[AMINO(IMINO)METHYL]PHENOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE","2006-01-11","2020-06-17","2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-benzimidazole-5-carboximidamide",""],["HXM","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C21 H28 Cl2 N2 O4 S","C(C)(N(CC(COc1ccc(cc1)NS(C)(=O)=O)O)CCc2cc(c(cc2)Cl)Cl)C;CC(C)N(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2;CC(C)N(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O","InChI=1S/C21H28Cl2N2O4S/c1-15(2)25(11-10-16-4-9-20(22)21(23)12-16)13-18(26)14-29-19-7-5-17(6-8-19)24-30(3,27)28/h4-9,12,15,18,24,26H,10-11,13-14H2,1-3H3/t18-/m0/s1","","2018-07-30","2019-01-25","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["5L3","(6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol","C13 H24 N2 O11 S2","C1(C(OC(C)=O)C(O)C(C(CO)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N;CC(=O)O[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1[S](=O)(=O)N2CC[CH](CC2)O[S](N)(=O)=O;CC(=O)OC1C(C(C(OC1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O","InChI=1S/C13H24N2O11S2/c1-7(17)24-12-11(19)10(18)9(6-16)25-13(12)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,16,18-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1","","2015-10-16","2020-07-17","(6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol","2015-10-28"],["5L4","3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide","C22 H24 N6 O3","c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N;Nc1ncc(nc1C(=O)Nc2cnccc2N3CCOCC3)c4ccc(CCO)cc4;c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N","InChI=1S/C22H24N6O3/c23-21-20(26-17(14-25-21)16-3-1-15(2-4-16)6-10-29)22(30)27-18-13-24-7-5-19(18)28-8-11-31-12-9-28/h1-5,7,13-14,29H,6,8-12H2,(H2,23,25)(H,27,30)","","2015-10-16","2016-05-06","3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide","2016-05-11"],["HXN","3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile","C18 H25 Br N6","CN(C)CCCN(C)c1nc2ccc(Br)cc2c(n1)N(C)CCC#N;CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br","InChI=1S/C18H25BrN6/c1-23(2)10-6-12-25(4)18-21-16-8-7-14(19)13-15(16)17(22-18)24(3)11-5-9-20/h7-8,13H,5-6,10-12H2,1-4H3","","2019-01-02","2020-05-01","3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile","2020-05-06"],["HXO","(2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide","C14 H20 N4 O6 S","C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO;CC(C(=O)NO)NC(=O)C(Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C","InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1","","2021-02-22","2022-02-18","(2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide","2022-02-23"],["5L5","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate","C35 H43 Cl N2 O8","C#CCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C=3CC(OC(=O)N=3)C(C)C3OC13C)cc(OC)c2Cl;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)CCCCC#C)[C]3(C)O[CH]3[CH](C)[CH]4CC1=NC(=O)O4;CC1C2CC(=NC(=O)O2)C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)CCCCC#C)C)C)OC","InChI=1S/C35H43ClN2O8/c1-8-9-10-11-15-31(40)45-29-20-30(39)38(5)25-17-23(18-28(43-7)32(25)36)16-21(2)13-12-14-26(42-6)24-19-27(44-34(41)37-24)22(3)33-35(29,4)46-33/h1,12-14,17-18,22,26-27,29,33H,9-11,15-16,19-20H2,2-7H3/b14-12+,21-13+/t22-,26-,27+,29+,33+,35+/m1/s1","","2021-07-20","2021-12-03","(1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate","2021-12-08"],["5L6","N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine","C17 H25 N3 O","c1cc(ccc1OC(C)C)c2c(cnc2)CN(CCN)C;CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN;CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN","InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3","","2015-10-16","2015-12-04","N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine","2015-12-09"],["HXP","3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID","C16 H14 O5","O=C(O)CCC2c3c(Oc1c2ccc(O)c1)cc(O)cc3;OC(=O)CC[CH]1c2ccc(O)cc2Oc3cc(O)ccc13;c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O","InChI=1S/C16H14O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,11,17-18H,5-6H2,(H,19,20)","","1999-07-08","2011-06-04","3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid",""],["HXQ","4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide","C24 H36 N8 O2 S","CCN(C)c1nc(nc2ccc(cc12)[S](=O)(=O)Nc3c(C)nn(C)c3C)N(C)C4CCN(C)CC4;CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C","InChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3","","2019-01-02","2020-05-01","4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide","2020-05-06"],["5L7","2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol","C19 H21 N3 O2","c1(cccc(c1C)O)OCc2cccnc2c3n(ncc3)C(C)C;CC(C)n1nccc1c2ncccc2COc3cccc(O)c3C;Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O","InChI=1S/C19H21N3O2/c1-13(2)22-16(9-11-21-22)19-15(6-5-10-20-19)12-24-18-8-4-7-17(23)14(18)3/h4-11,13,23H,12H2,1-3H3","","2015-10-16","2024-09-27","2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol","2016-07-20"],["5L8","(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol","C14 H15 Cl2 N3 O","O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3;c1ccc(c(c1)CC(Cn2cncn2)(C3(CC3)Cl)O)Cl","InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m1/s1","R-desthio-prothioconazole","2015-10-19","2020-06-17","(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol","2016-02-10"],["HXR","N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide","C14 H14 N2 O4 S","N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2;c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)","","2021-02-22","2022-02-18","~{N}-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide","2022-02-23"],["HXS","4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol","C18 H22 O2","Oc1ccc(cc1)C(C(c2ccc(O)cc2)CC)CC;CC[CH]([CH](CC)c1ccc(O)cc1)c2ccc(O)cc2;CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+","","2008-04-30","2011-06-04","4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol",""],["5L9","(2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol","C14 H15 Cl2 N3 O","O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3;c1ccc(c(c1)CC(Cn2cncn2)(C3(CC3)Cl)O)Cl","InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m0/s1","S-desthio-prothioconazole","2015-10-19","2021-03-01","(2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol","2016-02-10"],["5LA","2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid","C7 H4 Cl N O2 S","OC(=O)c1[nH]c2sc(Cl)cc2c1;c1c2cc(sc2[nH]c1C(=O)O)Cl","InChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)","","2015-10-19","2016-10-21","2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid","2016-10-26"],["HXT","2-hydroxy-1-phenylethanone","C8 H8 O2","O=C(c1ccccc1)CO;OCC(=O)c1ccccc1;c1ccc(cc1)C(=O)CO","InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2","2-Hydroxyacetophenone","2013-12-26","2021-03-01","2-hydroxy-1-phenylethanone","2014-07-16"],["HXV","6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine","C19 H26 N8 O2","CCc1nc(N)nc(N)c1OCCCCOc1ccccc1CCc1nnn[NH]1;CCc1nc(N)nc(N)c1OCCCCOc2ccccc2CCc3[nH]nnn3;CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3","InChI=1S/C19H26N8O2/c1-2-14-17(18(20)23-19(21)22-14)29-12-6-5-11-28-15-8-4-3-7-13(15)9-10-16-24-26-27-25-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H4,20,21,22,23)(H,24,25,26,27)","","2022-01-03","2022-02-04","6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine","2022-02-09"],["5LB","(2~{S})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid","C7 H13 N5 O2","NCCn1cc(C[CH](N)C(O)=O)nn1;c1c(nnn1CCN)CC(C(=O)O)N","InChI=1S/C7H13N5O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,8-9H2,(H,13,14)/t6-/m0/s1","","2015-10-20","2016-04-29","(2~{S})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid","2016-05-04"],["5LC","N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)","C19 H22 N2 O6","O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O;Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O","InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)","","2014-05-16","2016-06-24","N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)","2016-06-29"],["HXW","2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile","C19 H24 N6 S","CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[CH]4CC#N;CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CCC4CC#N","InChI=1S/C19H24N6S/c1-23-11-6-14(7-12-23)24(2)19-21-16-8-13-26-17(16)18(22-19)25-10-3-4-15(25)5-9-20/h3,8,10,13-15H,4-7,11-12H2,1-2H3/t15-/m0/s1","","2019-01-02","2020-05-01","2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile","2020-05-06"],["5LD","[(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid","C5 H10 N3 O4 P","OP(O)(CC(O)Cn1ncnc1)=O;O[CH](Cn1cncn1)C[P](O)(O)=O;c1ncn(n1)CC(CP(=O)(O)O)O","InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m1/s1","(R)-C348","2015-09-10","2021-03-01","[(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid","2016-10-05"],["HXX","3,6-dichloro-2-hydroxybenzoic acid","C7 H4 Cl2 O3","Clc1ccc(Cl)c(C(=O)O)c1O;OC(=O)c1c(Cl)ccc(Cl)c1O;c1cc(c(c(c1Cl)C(=O)O)O)Cl","InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)","3,6 dichlorosalicylic acid","2009-03-13","2020-06-17","3,6-dichloro-2-hydroxybenzoic acid",""],["5LE","(2~{S})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid","C8 H15 N5 O2","NCCCn1cc(C[CH](N)C(O)=O)nn1;c1c(nnn1CCCN)CC(C(=O)O)N","InChI=1S/C8H15N5O2/c9-2-1-3-13-5-6(11-12-13)4-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1","","2015-10-20","2016-04-29","(2~{S})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid","2016-05-04"],["HXY","1-(4-bromobenzyl)pyrrolidine","C11 H14 Br N","Brc1ccc(cc1)CN2CCCC2;Brc1ccc(CN2CCCC2)cc1;c1cc(ccc1CN2CCCC2)Br","InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2","","2014-07-02","2015-02-27","1-(4-bromobenzyl)pyrrolidine","2015-03-04"],["HXZ","4'-ethylthymidine 5'-(tetrahydrogen triphosphate)","C12 H21 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2(OC(N1C(=O)NC(=O)C(=C1)C)CC2O)CC;CC[C]1(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O;CCC1(C(CC(O1)N2C=C(C(=O)NC2=O)C)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C12H21N2O14P3/c1-3-12(6-25-30(21,22)28-31(23,24)27-29(18,19)20)8(15)4-9(26-12)14-5-7(2)10(16)13-11(14)17/h5,8-9,15H,3-4,6H2,1-2H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t8-,9+,12+/m0/s1","","2010-03-31","2011-06-04","4'-ethylthymidine 5'-(tetrahydrogen triphosphate)",""],["5LF","(2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid","C11 H21 N5 O2","NCCCCCCn1cc(C[CH](N)C(O)=O)nn1;c1c(nnn1CCCCCCN)CC(C(=O)O)N","InChI=1S/C11H21N5O2/c12-5-3-1-2-4-6-16-8-9(14-15-16)7-10(13)11(17)18/h8,10H,1-7,12-13H2,(H,17,18)/t10-/m0/s1","","2015-10-19","2016-04-29","(2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid","2016-05-04"],["5LG","(phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate","C26 H37 N7 O6","CC(C)C[CH]1NC(=O)[CH](Cc2cn(CCNC(=O)CC[CH](CO)NC1=O)nn2)NC(=O)OCc3ccccc3;CC(C)CC1C(=O)NC(CCC(=O)NCCn2cc(nn2)CC(C(=O)N1)NC(=O)OCc3ccccc3)CO","InChI=1S/C26H37N7O6/c1-17(2)12-21-24(36)28-19(15-34)8-9-23(35)27-10-11-33-14-20(31-32-33)13-22(25(37)29-21)30-26(38)39-16-18-6-4-3-5-7-18/h3-7,14,17,19,21-22,34H,8-13,15-16H2,1-2H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t19-,21-,22-/m0/s1","","2015-10-20","2024-09-27","(phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate","2016-05-04"],["HY0","HYGROMYCIN B VARIANT","C20 H37 N3 O13","O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO;CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH]3O[C]4(O[CH]([CH](N)CO)[CH](O)[CH](O)[CH]4O)O[CH]23)[CH]1O;CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N","InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1","(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)\n-1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',\n7-tetrol","2010-11-08","2020-06-17","(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)",""],["5LH","(phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate","C27 H39 N7 O6","CC(C)C[CH]1NC(=O)[CH](Cc2cn(CCCNC(=O)CC[CH](CO)NC1=O)nn2)NC(=O)OCc3ccccc3;CC(C)CC1C(=O)NC(CCC(=O)NCCCn2cc(nn2)CC(C(=O)N1)NC(=O)OCc3ccccc3)CO","InChI=1S/C27H39N7O6/c1-18(2)13-22-25(37)29-20(16-35)9-10-24(36)28-11-6-12-34-15-21(32-33-34)14-23(26(38)30-22)31-27(39)40-17-19-7-4-3-5-8-19/h3-5,7-8,15,18,20,22-23,35H,6,9-14,16-17H2,1-2H3,(H,28,36)(H,29,37)(H,30,38)(H,31,39)/t20-,22-,23-/m0/s1","","2015-10-20","2024-09-27","(phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate","2016-05-04"],["HY1","PHENYLACETALDEHYDE","C8 H8 O","O=CCc1ccccc1;O=CCc1ccccc1;c1ccc(cc1)CC=O","InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2","","1999-08-26","2025-04-22","phenylacetaldehyde",""],["5LI","2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide","C10 H10 Cl2 N2 O3","Clc1c(C(=O)NCCN(O)C=O)cccc1Cl;ON(CCNC(=O)c1cccc(Cl)c1Cl)C=O;c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O","InChI=1S/C10H10Cl2N2O3/c11-8-3-1-2-7(9(8)12)10(16)13-4-5-14(17)6-15/h1-3,6,17H,4-5H2,(H,13,16)","","2011-07-14","2011-07-22","2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide",""],["HY2","2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione","C34 H39 N5 O5","O=C6N7C(CNc5cc(OCCCN4CCN(CCN3C(=O)c1c2c(ccc1)cccc2C3=O)CC4)c(OC)cc56)CCC7;COc1cc2C(=O)N3CCC[CH]3CNc2cc1OCCCN4CCN(CC4)CCN5C(=O)c6cccc7cccc(C5=O)c67;COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NCC7CCCN7C2=O","InChI=1S/C34H39N5O5/c1-43-29-20-27-28(35-22-24-8-4-12-38(24)34(27)42)21-30(29)44-19-5-11-36-13-15-37(16-14-36)17-18-39-32(40)25-9-2-6-23-7-3-10-26(31(23)25)33(39)41/h2-3,6-7,9-10,20-21,24,35H,4-5,8,11-19,22H2,1H3/t24-/m0/s1","","2010-05-19","2011-06-04","2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione",""],["HY3","3-HYDROXYPROLINE","C5 H9 N O3","O=C(O)C1NCCC1O;O[CH]1CCN[CH]1C(O)=O;C1CNC(C1O)C(=O)O","InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1","(2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid","2006-03-22","2024-09-27","(3S)-3-hydroxy-L-proline",""],["5LJ","(phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate","C33 H49 N7 O6","OC[CH]1CCC(=O)NCCCCCCn2cc(C[CH](NC(=O)OCc3ccccc3)C(=O)N[CH](CC4CCCCC4)C(=O)N1)nn2;c1ccc(cc1)COC(=O)NC2Cc3cn(nn3)CCCCCCNC(=O)CCC(NC(=O)C(NC2=O)CC4CCCCC4)CO","InChI=1S/C33H49N7O6/c41-22-26-15-16-30(42)34-17-9-1-2-10-18-40-21-27(38-39-40)20-29(37-33(45)46-23-25-13-7-4-8-14-25)32(44)36-28(31(43)35-26)19-24-11-5-3-6-12-24/h4,7-8,13-14,21,24,26,28-29,41H,1-3,5-6,9-12,15-20,22-23H2,(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t26-,28-,29-/m0/s1","","2015-10-19","2024-09-27","(phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate","2016-05-04"],["5LK","4-{(6R,7R)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol","C23 H26 N6 O","N2=CC(c1ccc(O)cc1)C(N)n3ncc(c23)c5cccc(N4CCN(C)CC4)c5;CN1CCN(CC1)c2cccc(c2)c3cnn4[CH](N)[CH](C=Nc34)c5ccc(O)cc5;CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=CC(C4N)c5ccc(cc5)O","InChI=1S/C23H26N6O/c1-27-9-11-28(12-10-27)18-4-2-3-17(13-18)21-15-26-29-22(24)20(14-25-23(21)29)16-5-7-19(30)8-6-16/h2-8,13-15,20,22,30H,9-12,24H2,1H3/t20-,22+/m0/s1","","2010-05-03","2011-06-04","4-{(6R,7R)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol",""],["HY4","(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate","C14 H31 O5 P","O=P(OCC(OCCCC)COCCCC)(O)CCC;CCCCOC[CH](CO[P](O)(=O)CCC)OCCCC;CCCCOCC(COP(=O)(CCC)O)OCCCC","InChI=1S/C14H31O5P/c1-4-7-9-17-12-14(18-10-8-5-2)13-19-20(15,16)11-6-3/h14H,4-13H2,1-3H3,(H,15,16)/t14-/m1/s1","","2014-04-16","2024-09-27","(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate","2014-06-11"],["5LL","5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione","C11 H8 N2 O4","O=C1NC(=O)C(=CC=Cc2occc2)C(=O)N1;c1cc(oc1)C=CC=C2C(=O)NC(=O)NC2=O","InChI=1S/C11H8N2O4/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+","","2015-10-20","2024-09-27","5-[(~{E})-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione","2016-10-19"],["HY5","FC-NCPC","C36 H57 N O10","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CNC(=O)C5CC5;CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)O)O)C(C)CNC(=O)C5CC5)O)C)COC","InChI=1S/C36H57NO10/c1-8-35(4,5)45-17-25-29(40)30(41)31(42)34(46-25)47-32-27-23(18(2)15-37-33(43)20-9-10-20)13-26(38)36(27,6)14-24-21(16-44-7)11-12-22(24)19(3)28(32)39/h8,14,18-22,25-26,28-32,34,38-42H,1,9-13,15-17H2,2-7H3,(H,37,43)/b24-14-/t18-,19-,21-,22+,25-,26+,28-,29-,30+,31-,32-,34-,36+/m1/s1","","2019-01-02","2020-01-24","~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]cyclopropanecarboxamide","2020-01-29"],["HY6","N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide","C10 H13 N3 O5 S","N[S](=O)(=O)c1ccc(CC(=O)NCC(=O)NO)cc1;c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N","InChI=1S/C10H13N3O5S/c11-19(17,18)8-3-1-7(2-4-8)5-9(14)12-6-10(15)13-16/h1-4,16H,5-6H2,(H,12,14)(H,13,15)(H2,11,17,18)","","2021-02-22","2022-02-18","~{N}-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide","2022-02-23"],["5LM","5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione","C11 H8 N2 O3 S","O=C1NC(=O)C(=CC=Cc2sccc2)C(=O)N1;c1cc(sc1)C=CC=C2C(=O)NC(=O)NC2=O","InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+","","2015-10-20","2024-09-27","5-[(~{E})-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione","2016-10-19"],["5LN","chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium","C2 H8 Cl O4 Ru","OC[Ru](O)(O)(Cl)CO;C(O)[Ru](CO)(O)(O)Cl","InChI=1S/2CH3O.ClH.2H2O.Ru/c2*1-2;;;;/h2*2H,1H2;1H;2*1H2;/q;;;;;+3/p-3","Ru(CO)2Cl(OH2)2","2015-10-20","2020-06-17","chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium","2016-10-26"],["HY7","8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE","C16 H17 Br N4 O2","Brc4cc3c(oc1c3N=C(NC1=O)CN2CCN(C)CC2)cc4;CN1CCN(CC1)CC2=Nc3c(oc4ccc(Br)cc34)C(=O)N2;CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br","InChI=1S/C16H17BrN4O2/c1-20-4-6-21(7-5-20)9-13-18-14-11-8-10(17)2-3-12(11)23-15(14)16(22)19-13/h2-3,8H,4-7,9H2,1H3,(H,18,19,22)","","2012-03-05","2014-09-05","8-bromo-2-[(4-methylpiperazin-1-yl)methyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one","2013-01-11"],["HY8","(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid","C27 H38 N12 O9","N[CH](CCN(CCCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCNc4c5c(ncn4)n(cn5)C6C(C(C(O6)CO)O)O)CCC(C(=O)O)N)O)O)N","InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13-,14-,17+,18+,19+,20+,25+,26-/m0/s1","","2019-01-03","2019-03-22","(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid","2019-03-27"],["5LO","4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid","C26 H30 O3","CC1(C)CCC(C)(C)c2cc3c(O[CH]4CCC[C]34c5ccc(cc5)C(O)=O)cc12;CC1(CCC(c2c1cc3c(c2)OC4C3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C","InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1","","2015-10-20","2016-03-04","","2016-03-09"],["HY9","2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid","C17 H30 N4 O6","C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO;CC(C(=O)NO)NC(=O)C(CCN(CC1CCCC1)CC(=O)O)NC(=O)C","InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1","","2021-02-22","2022-02-18","2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid","2022-02-23"],["5LP","2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid","C15 H14 Cl N3 O3","Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1;Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O","InChI=1S/C15H14ClN3O3/c1-8-2-4-10(14(20)21)13(6-8)19-15(22)18-12-5-3-9(16)7-11(12)17/h2-7H,17H2,1H3,(H,20,21)(H2,18,19,22)","","2015-10-20","2016-10-21","2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid","2016-10-26"],["HYA","2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID","C4 H9 N O5","N(/O)=C(/O)C(O)C(O)CO;OC[CH](O)[CH](O)C(O)=NO;C(C(C(C(=NO)O)O)O)O","InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3+/m1/s1","","1999-07-08","2011-06-04","(1Z,2S,3R)-N,2,3,4-tetrahydroxybutanimidic acid",""],["5LQ","5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine","C17 H22 Cl N3 O3 S","CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3;CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl","InChI=1S/C17H22ClN3O3S/c1-13-16(14-4-2-5-15(18)12-14)25(22,23)20-17(13)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,20)","","2015-10-20","2020-06-27","5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine","2016-03-30"],["HYB","[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL","C32 H42 N2 O5 S","O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(Cc1ccccc1)CO)C(C)C)Cc3c2ccccc2ccc3;CC(C)[CH](NC(=O)[CH](Cc1cccc2ccccc12)C[S](=O)(=O)C(C)(C)C)C(=O)N[CH](CO)Cc3ccccc3;CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C","InChI=1S/C32H42N2O5S/c1-22(2)29(31(37)33-27(20-35)18-23-12-7-6-8-13-23)34-30(36)26(21-40(38,39)32(3,4)5)19-25-16-11-15-24-14-9-10-17-28(24)25/h6-17,22,26-27,29,35H,18-21H2,1-5H3,(H,33,37)(H,34,36)/t26-,27+,29+/m1/s1","","1999-07-08","2011-06-04","N-[(1S)-1-benzyl-2-hydroxyethyl]-N~2~-[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]-L-valinamide",""],["5LR","5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine","C22 H24 Cl N3 O2 S","CC1=C(c2ccc(Cl)cc2)[S](=O)(=O)N=C1NCCCN3CCc4ccccc4C3;CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl","InChI=1S/C22H24ClN3O2S/c1-16-21(18-7-9-20(23)10-8-18)29(27,28)25-22(16)24-12-4-13-26-14-11-17-5-2-3-6-19(17)15-26/h2-3,5-10H,4,11-15H2,1H3,(H,24,25)","","2015-10-20","2016-03-25","5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine","2016-03-30"],["HYC","O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE","C37 H51 N5 O7","O=C(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCCCCCC6CC5C7CCc4cc(O)ccc4C7CCC5(C)C6O;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](CCCCCCCCC(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)CCCCCCCCC(=O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O","InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1","EM-1745","2001-03-07","2020-06-17","5'-O-{9-[(9beta,13alpha,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]nonanoyl}adenosine",""],["5LS","2,4-di-O-sulfo-alpha-D-glucopyranose","C6 H12 O12 S2","OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)3(8)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-,6+/m1/s1","[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-sulfooxy-oxan-3-yl] hydrogen sulfate;\n2,4-di-O-sulfo-alpha-D-glucose; 2,4-di-O-sulfo-D-glucose; 2,4-di-O-sulfo-glucose","2015-10-20","2020-07-17","[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-sulfooxy-oxan-3-yl] hydrogen sulfate","2016-11-02"],["5LT","3,4-di-O-sulfo-alpha-D-glucopyranose","C6 H12 O12 S2","C1(OC(C(C(C1O)OS(=O)(=O)O)OS(=O)(=O)O)CO)O;OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4-,5-,6+/m1/s1","","2015-10-20","2020-07-17","3,4-di-O-sulfo-alpha-D-glucopyranose","2020-07-29"],["HYD","HYDROXY GROUP","H O","[OH-];[OH-];[OH-]","InChI=1/H2O/h1H2/p-1/fHO/h1h/q-1","","1999-07-08","2009-09-29","hydroxide",""],["HYE","(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde","C15 H23 N O5","O=CC1(NC(=O)C(C1(O)C)CCO)C(O)C2C=CCCC2;C[C]1(O)[CH](CCO)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2;CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCO)O","InChI=1S/C15H23NO5/c1-14(21)11(7-8-17)13(20)16-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,17,19,21H,2,4,6-8H2,1H3,(H,16,20)/t10-,11+,12+,14+,15-/m1/s1","","2009-06-23","2024-09-27","(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde",""],["5LU","Prochloraz","C15 H16 Cl3 N3 O2","CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2;CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2","InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3","~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide","2015-10-21","2020-06-17","~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide","2016-02-10"],["HYF","4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE","C35 H52 O4","O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C;CC(C)C(=O)[C]12C(=C(CC=C(C)C)C(=O)[C](CC=C(C)C)(C[CH](CC=C(C)C)[C]1(C)CCC=C(C)C)C2=O)O;CC(C)C(=O)C12C(=C(C(=O)C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O","InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1","HYPERFORIN","2002-06-25","2021-03-01","(1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione",""],["5LV","8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one","C23 H30 N6 O2","CC1=Cc2c(NC1=O)c(NC3CCN(CCCN)CC3)ncc2c4cncc(CO)c4;CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO","InChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31)","8-((1-(3-aminopropyl)piperidin-4-yl)amino)-5-(5-(hydroxymethyl)pyridin-3-yl)-3-methyl-1,7-naphthyridin-2(1H)-one","2021-07-13","2021-10-08","8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one","2021-10-13"],["5LW","1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","C19 H17 Cl2 N3 O3","C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl;CC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl","InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1","Difenoconazole","2015-10-21","2020-06-17","1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","2016-02-10"],["HYG","HYGROMYCIN B","C20 H37 N3 O13","O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO;CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH]3O[C]4(O[CH]([CH](N)CO)[CH](O)[CH](O)[CH]4O)O[CH]23)[CH]1O;CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N","InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1","HYGROMIX; ANTIHELMYCIN; HYDROMYCIN B; DESTOMYSIN; ANTIBIOTIC A-396-II","2000-12-15","2020-05-27","(2R,3'R,3aR,4S,4'R,5'R,6R,6'S,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)",""],["5LX","1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","C19 H17 Cl2 N3 O3","C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl;CC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl","InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1","Difenoconazole","2015-10-21","2020-06-17","1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","2016-02-10"],["HYH","(2R)-2-hydroxyhexanamide","C6 H13 N O2","O=C(N)C(O)CCCC;CCCC[CH](O)C(N)=O;CCCCC(C(=O)N)O","InChI=1S/C6H13NO2/c1-2-3-4-5(8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1","","2014-09-08","2014-09-19","(2R)-2-hydroxyhexanamide","2014-09-24"],["HYI","(2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID","C8 H16 N2 O6 S","O=C(NO)C(O)C(O)CSCCC(N)C(=O)O;N[CH](CCSC[CH](O)[CH](O)C(=O)NO)C(O)=O;C(CSCC(C(C(=O)NO)O)O)C(C(=O)O)N","InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1","","2006-01-20","2011-06-04","S-[(2R,3R)-2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl]-L-homocysteine",""],["5LY","1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","C19 H17 Cl2 N3 O3","C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl;CC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl","InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m1/s1","Difenoconazole","2015-10-21","2021-03-01","1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","2016-02-10"],["5LZ","1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","C19 H17 Cl2 N3 O3","C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl;CC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl","InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m1/s1","Difenoconazole","2015-10-21","2021-03-01","1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","2016-02-10"],["HYJ","9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one","C10 H13 N4 O9 P","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)O","InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1","","2022-02-07","2023-01-20","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate","2023-01-25"],["5M0","2-azanyl-5-methyl-benzoic acid","C8 H9 N O2","O=C(O)c1cc(ccc1N)C;Cc1ccc(N)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)N","InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)","5-methylanthranilate","2014-02-06","2021-03-01","2-amino-5-methylbenzoic acid","2014-04-23"],["HYK","1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea","C34 H39 N7 O2","CC(C)c1nnc2ccc(O[CH]3CC[CH](NC(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)c6ccccc36)cn12;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NC3CCC(c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C","InChI=1S/C34H39N7O2/c1-21(2)32-38-37-30-18-15-24(20-40(30)32)43-28-17-16-27(25-9-7-8-10-26(25)28)35-33(42)36-31-19-29(34(4,5)6)39-41(31)23-13-11-22(3)12-14-23/h7-15,18-21,27-28H,16-17H2,1-6H3,(H2,35,36,42)/t27-,28-/m0/s1","","2019-01-04","2020-01-24","1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea","2020-01-29"],["5M1","5-methyl-1H-pyrrole-2-carboxylic acid","C6 H7 N O2","C(c1ccc(C)n1)(=O)O;Cc1[nH]c(cc1)C(O)=O;Cc1ccc([nH]1)C(=O)O","InChI=1S/C6H7NO2/c1-4-2-3-5(7-4)6(8)9/h2-3,7H,1H3,(H,8,9)","","2015-03-04","2015-06-12","5-methyl-1H-pyrrole-2-carboxylic acid","2015-06-17"],["HYM","(4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE","C11 H9 Cl2 N5 O2","O=C3N=C(N/C3=C2c1c(Cl)c(Cl)nc1C(=O)NCC2)N;NC1=NC(=O)C(N1)=C2CCNC(=O)c3[nH]c(Cl)c(Cl)c23;C1CNC(=O)c2c(c(c([nH]2)Cl)Cl)C1=C3C(=O)N=C(N3)N","InChI=1S/C11H9Cl2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)/b6-3-","","2005-05-20","2012-01-05","(4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one",""],["HYN","imidazolidine-2,4-dione","C3 H4 N2 O2","O=C1NC(=O)NC1;O=C1CNC(=O)N1;C1C(=O)NC(=O)N1","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)","Hydantoin","2008-03-21","2020-06-17","imidazolidine-2,4-dione",""],["5M2","(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid","C13 H11 N O4","Cc1c(ccc2[nH]ccc12)C(=O)C=C(O)C(O)=O;Cc1c2cc[nH]c2ccc1C(=O)C=C(C(=O)O)O","InChI=1S/C13H11NO4/c1-7-8-4-5-14-10(8)3-2-9(7)11(15)6-12(16)13(17)18/h2-6,14,16H,1H3,(H,17,18)/b12-6-","","2015-10-21","2016-10-21","(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid","2016-10-26"],["5M5","(4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile","C24 H24 N4 O2","CC(C)[C]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N;Cc1c2c([nH]n1)OC(=C(C2(c3cc(cc(c3)c4ccccc4)CO)C(C)C)C#N)N","InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m0/s1","","2021-08-19","2022-07-01","(4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile","2022-07-06"],["HYO","[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate","C17 H23 N O3","CN1[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3;CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1","","2020-01-02","2020-03-13","[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2~{S})-3-oxidanyl-2-phenyl-propanoate","2020-03-18"],["HYP","4-HYDROXYPROLINE","C5 H9 N O3","O=C(O)C1NCC(O)C1;O[CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)O","InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1","HYDROXYPROLINE","1999-07-08","2024-09-27","(4R)-4-hydroxy-L-proline",""],["5M6","1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide","C18 H18 Cl N3 O2 S","Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)NC[CH]4CCCO4;Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NCC4CCCO4","InChI=1S/C18H18ClN3O2S/c1-11-15-9-16(17(23)20-10-14-3-2-8-24-14)25-18(15)22(21-11)13-6-4-12(19)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,20,23)/t14-/m1/s1","","2015-10-22","2016-03-04","1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide","2016-03-09"],["5M7","6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid","C21 H19 Cl N2 O2","OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4;c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl","InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)","","2015-10-22","2016-03-04","6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid","2016-03-09"],["HYQ","REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE","C20 H18 N2 O4","[O-][N+](=O)c2c1c(cccc1)c(cc2)N4C(=O)C5C3CCC(CC3)C5C4=O;[O-][N+](=O)c1ccc(N2C(=O)[CH]3C4CCC(CC4)[CH]3C2=O)c5ccccc15;c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)C4C5CCC(C4C3=O)CC5","InChI=1S/C20H18N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-4,9-12,17-18H,5-8H2/t11-,12+,17-,18+","(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE","2004-10-28","2021-03-13","(3aR,4R,7S,7aS)-2-(4-nitronaphthalen-1-yl)hexahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione",""],["HYR","N-(2-phenoxyethyl)methanethioamide","C9 H11 N O S","S=CNCCOc1ccccc1;c1ccc(cc1)OCCNC=S","InChI=1S/C9H11NOS/c12-8-10-6-7-11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,12)","","2021-02-24","2024-09-27","~{N}-(2-phenoxyethyl)methanethioamide","2022-02-23"],["5M8","6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid","C17 H12 Cl N O2","Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O;Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O","InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)","","2015-10-22","2016-03-04","6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid","2016-03-09"],["5M9","6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine","C17 H22 Cl N7","Cn1nc(nc1CCc2nn3c(C)c(Cl)cc(C)c3n2)N4CCCC4;Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl","InChI=1S/C17H22ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h10H,4-9H2,1-3H3","","2015-10-22","2016-03-04","6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine","2016-03-09"],["HYS","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C18 H22 Cl2 N2 O4 S","c1(Cl)c(Cl)ccc(c1)CCNCC(COc2ccc(cc2)NS(=O)(=O)C)O;C[S](=O)(=O)Nc1ccc(OC[CH](O)CNCCc2ccc(Cl)c(Cl)c2)cc1;CS(=O)(=O)Nc1ccc(cc1)OCC(CNCCc2ccc(c(c2)Cl)Cl)O","InChI=1S/C18H22Cl2N2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1","","2018-07-30","2019-01-25","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["5MA","1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine","C20 H14 Cl3 N7 O","Clc5cc(Oc4c(Cl)ccc1c4nnn1Cc2c3cccnc3nn2)c(Cl)c(c5)CN;NCc1cc(Cl)cc(Oc2c(Cl)ccc3n(Cc4[nH]nc5ncccc45)nnc23)c1Cl;c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl","InChI=1S/C20H14Cl3N7O/c21-11-6-10(8-24)17(23)16(7-11)31-19-13(22)3-4-15-18(19)27-29-30(15)9-14-12-2-1-5-25-20(12)28-26-14/h1-7H,8-9,24H2,(H,25,26,28)","","2011-07-22","2011-10-21","1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine",""],["HYT","2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide","C16 H10 F4 N4 O2","Cn1nc(O)c(n1)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3;Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F","InChI=1S/C16H10F4N4O2/c1-24-22-14(16(26)23-24)15(25)21-13-11(19)9(17)8(10(18)12(13)20)7-5-3-2-4-6-7/h2-6H,1H3,(H,21,25)(H,23,26)","","2017-01-16","2017-03-03","2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide","2017-03-08"],["5MB","5-METHYLBENZIMIDAZOLE","C8 H8 N2","n2c1ccc(cc1nc2)C;Cc1ccc2nc[nH]c2c1;Cc1ccc2c(c1)[nH]cn2","InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)","","2001-07-03","2011-06-04","6-methyl-1H-benzimidazole",""],["HYV","[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone","C24 H29 N5 O S","O=C(C1CCN(CC1)c2sc(nn2)n3cccc3)N4CCC(CC4)Cc5ccccc5;c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5","InChI=1S/C24H29N5OS/c30-22(27-14-8-20(9-15-27)18-19-6-2-1-3-7-19)21-10-16-29(17-11-21)24-26-25-23(31-24)28-12-4-5-13-28/h1-7,12-13,20-21H,8-11,14-18H2","","2017-01-27","2017-10-20","[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone","2017-10-25"],["HYW","1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea","C34 H39 N7 O2","CC(C)c1nnc2ccc(O[CH]3CC[CH](NC(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)c6ccccc36)cn12;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NC3CCC(c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C","InChI=1S/C34H39N7O2/c1-21(2)32-38-37-30-18-15-24(20-40(30)32)43-28-17-16-27(25-9-7-8-10-26(25)28)35-33(42)36-31-19-29(34(4,5)6)39-41(31)23-13-11-22(3)12-14-23/h7-15,18-21,27-28H,16-17H2,1-6H3,(H2,35,36,42)/t27-,28+/m0/s1","","2019-01-04","2020-01-24","1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea","2020-01-29"],["5MC","5-METHYLCYTIDINE-5'-MONOPHOSPHATE","C10 H16 N3 O8 P","O=C1N=C(N)C(=CN1C2OC(C(O)C2O)COP(=O)(O)O)C;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1","","1999-07-08","2011-06-04","5-methylcytidine 5'-(dihydrogen phosphate)",""],["5MD","2'-deoxy-1-methyl-pseudouridine","C10 H14 N2 O5","O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C;CN1C=C([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O;CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O","InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1","5-METHYL-2'-DEOXYPSEUDOURIDINE","2000-07-26","2020-06-17","(1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol",""],["HYY","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C21 H28 Cl2 N2 O4 S","c1cc(c(cc1CCN(CC(COc2ccc(cc2)NS(C)(=O)=O)O)CCC)Cl)Cl;CCCN(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2;CCCN(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O","InChI=1S/C21H28Cl2N2O4S/c1-3-11-25(12-10-16-4-9-20(22)21(23)13-16)14-18(26)15-29-19-7-5-17(6-8-19)24-30(2,27)28/h4-9,13,18,24,26H,3,10-12,14-15H2,1-2H3/t18-/m0/s1","","2018-07-30","2019-01-25","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["5ME","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide","C18 H18 N4 O2","O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3;C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccn3;CC(c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1","","2012-09-19","2013-06-14","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide","2013-06-19"],["HYZ","N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine","C24 H27 F N8","Fc1cccc(c1)Cn3ncc2cc(ccc23)Nc4ncnc(c4CNN5CCCCC5)N;Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CNN5CCCCC5;c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5","InChI=1S/C24H27FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-29-32-9-2-1-3-10-32/h4-8,11-13,16,29H,1-3,9-10,14-15H2,(H3,26,27,28,31)","","2007-12-04","2011-06-04","N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine",""],["5MF","8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine","C17 H24 N8","CCc1cnc(C)n2nc(CCc3nc(nn3C)N4CCCC4)nc12;CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C","InChI=1S/C17H24N8/c1-4-13-11-18-12(2)25-16(13)19-14(21-25)7-8-15-20-17(22-23(15)3)24-9-5-6-10-24/h11H,4-10H2,1-3H3","","2015-10-22","2016-03-04","8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine","2016-03-09"],["HZ0","(10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate","C36 H50 Cl N3 O10 S2","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O","InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22-,26+,27-,28+,32+,35?,36+/m1/s1","","2021-02-25","2021-07-02","","2021-07-07"],["HZ1","(3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate","C51 H77 N O15","O=C(OC(C)(C)C)NCCCCCCc1c(O)ccc(c1)CCCC(=O)OC3CC(OC(=O)C)(C2C(OC(=O)CCCCCCC)C(OC(=O)C(=C/C)C)C(C)C2C4OC(=O)C(O)(C)C34O)C;CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)[CH](C)[CH]2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCc4ccc(O)c(CCCCCCNC(=O)OC(C)(C)C)c4;CCCCCCCC(=O)OC1C2C(C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)(C(C(=O)O3)(C)O)O","InChI=1S/C51H77NO15/c1-11-13-14-15-19-24-39(56)63-43-41-40(32(4)42(43)64-45(57)31(3)12-2)44-51(61,50(10,60)46(58)65-44)37(30-49(41,9)66-33(5)53)62-38(55)25-21-22-34-26-27-36(54)35(29-34)23-18-16-17-20-28-52-47(59)67-48(6,7)8/h12,26-27,29,32,37,40-44,54,60-61H,11,13-25,28,30H2,1-10H3,(H,52,59)/b31-12-/t32-,37+,40?,41-,42+,43+,44+,49+,50-,51-/m1/s1","","2010-06-09","2011-06-04","(3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate",""],["5MG","3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one","C20 H12 Cl F3 N4 O2","FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3nc(Cl)[nH]c3c4ccccc4;c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F","InChI=1S/C20H12ClF3N4O2/c21-19-25-16(12-5-2-1-3-6-12)18(26-19)17-15(29)9-10-28(27-17)13-7-4-8-14(11-13)30-20(22,23)24/h1-11H,(H,25,26)","","2015-10-22","2016-03-04","3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one","2016-03-09"],["5MH","1-hydroxy-5-methylpyridine-2(1H)-thione","C6 H7 N O S","S=C1C=CC(=CN1O)C;CC1=CN(O)C(=S)C=C1;CC1=CN(C(=S)C=C1)O","InChI=1S/C6H7NOS/c1-5-2-3-6(9)7(8)4-5/h2-4,8H,1H3","","2014-04-29","2015-03-06","1-hydroxy-5-methylpyridine-2(1H)-thione","2015-03-11"],["HZ2","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid","C26 H36 N12 O9","N[CH](CCN(CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CCNc4c5c(ncn4)n(cn5)C6C(C(C(O6)CO)O)O)O)O)N","InChI=1S/C26H36N12O9/c27-11(26(44)45)1-3-36(5-12-16(40)18(42)24(46-12)37-9-34-14-20(28)30-7-32-22(14)37)4-2-29-21-15-23(33-8-31-21)38(10-35-15)25-19(43)17(41)13(6-39)47-25/h7-13,16-19,24-25,39-43H,1-6,27H2,(H,44,45)(H2,28,30,32)(H,29,31,33)/t11-,12+,13+,16+,17+,18+,19+,24+,25+/m0/s1","","2019-01-04","2019-03-22","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid","2019-03-27"],["5MI","5-METHYL INDOLE","C9 H9 N","c1c(ccc2c1ccn2)C;Cc1ccc2[nH]ccc2c1;Cc1ccc2c(c1)cc[nH]2","InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3","","2012-07-23","2014-09-05","5-methyl-1H-indole","2013-02-01"],["HZ3","dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate","C22 H18 O7","O=C(OC)C4=C(C(=O)OC)C2OC4C(=C2c1ccc(O)cc1)c3ccc(O)cc3;COC(=O)C1=C([CH]2O[CH]1C(=C2c3ccc(O)cc3)c4ccc(O)cc4)C(=O)OC;COC(=O)C1=C(C2C(=C(C1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC","InChI=1S/C22H18O7/c1-27-21(25)17-18(22(26)28-2)20-16(12-5-9-14(24)10-6-12)15(19(17)29-20)11-3-7-13(23)8-4-11/h3-10,19-20,23-24H,1-2H3/t19-,20+","","2007-08-15","2011-06-04","dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate",""],["5MJ","3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide","C20 H19 Cl N2 O3","COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1;CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC","InChI=1S/C20H19ClN2O3/c1-12-17(9-10-19(12)24)23-18-8-3-13(11-16(18)21)20(25)22-14-4-6-15(26-2)7-5-14/h3-8,11,23H,9-10H2,1-2H3,(H,22,25)","","2015-10-22","2017-03-17","3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide","2017-03-22"],["HZ4","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C20 H26 Cl2 N2 O4 S","c1c(cc(c(c1)Cl)Cl)CCN(CC)CC(O)COc2ccc(cc2)NS(=O)(=O)C;CCN(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2;CCN(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O","InChI=1S/C20H26Cl2N2O4S/c1-3-24(11-10-15-4-9-19(21)20(22)12-15)13-17(25)14-28-18-7-5-16(6-8-18)23-29(2,26)27/h4-9,12,17,23,25H,3,10-11,13-14H2,1-2H3/t17-/m0/s1","","2018-07-30","2019-01-25","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["HZ5","~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide","C7 H13 N3 O2 S","Cn1nc(C)c(N[S](C)(=O)=O)c1C;Cc1c(c(n(n1)C)C)NS(=O)(=O)C","InChI=1S/C7H13N3O2S/c1-5-7(9-13(4,11)12)6(2)10(3)8-5/h9H,1-4H3","","2019-01-04","2020-05-01","~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide","2020-05-06"],["5MK","2-azanyl-5-chloranyl-benzamide","C7 H7 Cl N2 O","NC(=O)c1cc(Cl)ccc1N;c1cc(c(cc1Cl)C(=O)N)N","InChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)","","2015-10-22","2016-04-01","2-azanyl-5-chloranyl-benzamide","2016-04-06"],["5ML","3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide","C28 H28 N4 O","CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(C)c3)c4cnc5ccccc5c4;Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4","InChI=1S/C28H28N4O/c1-20-6-5-8-23(16-20)28(33)30-26-18-21(10-11-27(26)32-14-12-31(2)13-15-32)24-17-22-7-3-4-9-25(22)29-19-24/h3-11,16-19H,12-15H2,1-2H3,(H,30,33)","","2015-10-22","2015-10-30","3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide","2015-11-04"],["HZ6","1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one","C15 H22 N6 O2","CCC(=O)N1CC(C1)Oc1nn(c2ncnc(N)c21)C(C)(C)C;CCC(=O)N1CC(C1)Oc2nn(c3ncnc(N)c23)C(C)(C)C;CCC(=O)N1CC(C1)Oc2c3c(ncnc3n(n2)C(C)(C)C)N","InChI=1S/C15H22N6O2/c1-5-10(22)20-6-9(7-20)23-14-11-12(16)17-8-18-13(11)21(19-14)15(2,3)4/h8-9H,5-7H2,1-4H3,(H2,16,17,18)","","2023-07-24","2024-09-27","1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one","2024-02-14"],["HZ7","(1R,2S,3S,4R,5S,6R)-5-{[(R)-[(2R)-2,3-bis{[(1S)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]","C25 H53 O19 P3","C1(O)C(C(C(OP(=O)(OCC(COC(CCCCCCC)O)OC(O)CCCCCCC)O)C(C1OP(O)(O)=O)O)O)OP(O)(=O)O;CCCCCCC[CH](O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)O[CH](O)CCCCCCC;CCCCCCCC(O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(CCCCCCC)O","InChI=1S/C25H53O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)30)43-46(34,35)36/h17-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,18+,19+,20-,21-,22-,23-,24+,25-/m1/s1","","2018-07-30","2018-11-23","(1R,2S,3S,4R,5S,6R)-5-{[(R)-[(2R)-2,3-bis{[(1S)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]","2018-11-28"],["5MM","2-O-methyl-1,6-di-O-phosphono-D-mannitol","C7 H18 O12 P2","O=P(OCC(OC)C(O)C(O)C(O)COP(=O)(O)O)(O)O;CO[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;COC(COP(=O)(O)O)C(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C7H18O12P2/c1-17-5(3-19-21(14,15)16)7(10)6(9)4(8)2-18-20(11,12)13/h4-10H,2-3H2,1H3,(H2,11,12,13)(H2,14,15,16)/t4-,5-,6-,7-/m1/s1","","2011-09-19","2011-10-07","2-O-methyl-1,6-di-O-phosphono-D-mannitol",""],["HZ8","~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine","C18 H27 N5","CCN(C)c1nc(nc2ccccc12)N(C)C3CCN(C)CC3;CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C","InChI=1S/C18H27N5/c1-5-22(3)17-15-8-6-7-9-16(15)19-18(20-17)23(4)14-10-12-21(2)13-11-14/h6-9,14H,5,10-13H2,1-4H3","","2019-01-04","2020-05-01","~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine","2020-05-06"],["5MN","~{N}-[5-(1~{H}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide","C27 H28 N4 O","CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(C)c3)c4ccc5[nH]ccc5c4;Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5","InChI=1S/C27H28N4O/c1-19-4-3-5-23(16-19)27(32)29-25-18-21(20-6-8-24-22(17-20)10-11-28-24)7-9-26(25)31-14-12-30(2)13-15-31/h3-11,16-18,28H,12-15H2,1-2H3,(H,29,32)","","2015-10-22","2015-10-30","~{N}-[5-(1~{H}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide","2015-11-04"],["HZA","2,5,8,11,14,17,20,23,26-nonaoxaoctacosane","C19 H40 O9","CCOCCOCCOCCOCCOCCOCCOCCOCCOC;CCOCCOCCOCCOCCOCCOCCOCCOCCOC;CCOCCOCCOCCOCCOCCOCCOCCOCCOC","InChI=1S/C19H40O9/c1-3-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-4-20-2/h3-19H2,1-2H3","","2018-07-30","2024-03-15","2,5,8,11,14,17,20,23,26-nonaoxaoctacosane","2024-03-20"],["5MO","N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide","C27 H29 N3 O2","C5CN(c1ccc(cc1NC(=O)c2cccc(c2)C)c3cc4c(cc3)OCC4)CCN5C;CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(C)c3)c4ccc5OCCc5c4;Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5","InChI=1S/C27H29N3O2/c1-19-4-3-5-23(16-19)27(31)28-24-18-21(20-7-9-26-22(17-20)10-15-32-26)6-8-25(24)30-13-11-29(2)12-14-30/h3-9,16-18H,10-15H2,1-2H3,(H,28,31)","","2015-10-22","2016-02-12","N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide","2015-11-04"],["5MP","5-METHYLPYRROLE","C5 H7 N","c1cc(cn1)C;Cc1c[nH]cc1;Cc1cc[nH]c1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","","2002-04-18","2011-06-04","3-methyl-1H-pyrrole",""],["HZB","(1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol","C11 H20 O9","O[CH]1CO[CH](O[CH]2C[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(C1OC2C(C(C(CO2)O)O)O)O)O)O)O","InChI=1S/C11H20O9/c12-3-1-5(8(16)9(17)6(3)14)20-11-10(18)7(15)4(13)2-19-11/h3-18H,1-2H2/t3-,4-,5-,6?,7+,8+,9+,10-,11+/m1/s1","","2019-01-07","2024-09-27","(1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol","2019-06-05"],["5MQ","N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide","C27 H29 N3 O2","C5N(CCN(c2c(NC(c1cccc(C)c1)=O)cc(cc2)c3cccc4c3OCC4)C5)C;CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(C)c3)c4cccc5CCOc45;Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5","InChI=1S/C27H29N3O2/c1-19-5-3-7-22(17-19)27(31)28-24-18-21(23-8-4-6-20-11-16-32-26(20)23)9-10-25(24)30-14-12-29(2)13-15-30/h3-10,17-18H,11-16H2,1-2H3,(H,28,31)","","2015-10-22","2016-02-12","N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide","2015-11-04"],["HZC","[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine","C11 H23 N","CC(C)[CH]1CC[CH](C)C[CH]1CN;CC1CCC(C(C1)CN)C(C)C","InChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3/t9-,10-,11+/m1/s1","","2021-02-26","2021-06-25","[(1~{S},2~{S},5~{R})-5-methyl-2-propan-2-yl-cyclohexyl]methanamine","2021-06-30"],["5MR","NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE","C30 H29 N4 O5 P","O=C(N)C(NC(=O)C(CP(=O)(O)c1ccccc1)Cc3onc(c2ccccc2)c3)Cc5c4ccccc4nc5;NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](Cc3onc(c3)c4ccccc4)C[P](O)(=O)c5ccccc5;c1ccc(cc1)c2cc(on2)CC(CP(=O)(c3ccccc3)O)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)N","InChI=1S/C30H29N4O5P/c31-29(35)28(16-21-18-32-26-14-8-7-13-25(21)26)33-30(36)22(19-40(37,38)24-11-5-2-6-12-24)15-23-17-27(34-39-23)20-9-3-1-4-10-20/h1-14,17-18,22,28,32H,15-16,19H2,(H2,31,35)(H,33,36)(H,37,38)/t22-,28+/m1/s1","","2007-02-16","2011-06-04","Nalpha-{(2S)-3-[(S)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-L-tryptophanamide",""],["HZD","4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium","C38 H50 N6 O6 S2","C(NCCOCCOCCOCCNC(CCCCC1SCC2NC(=O)NC12)=O)(C[n+]6c(Cc3cc[n+](C)c4c3cccc4)sc5c6cccc5)=O;C[n+]1ccc(Cc2sc3ccccc3[n+]2CC(=O)NCCOCCOCCOCCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)c6ccccc16;C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C38H48N6O6S2/c1-43-17-14-27(28-8-2-3-9-30(28)43)24-36-44(31-10-4-5-11-32(31)52-36)25-35(46)40-16-19-49-21-23-50-22-20-48-18-15-39-34(45)13-7-6-12-33-37-29(26-51-33)41-38(47)42-37/h2-5,8-11,14,17,29,33,37H,6-7,12-13,15-16,18-26H2,1H3,(H2-2,39,40,41,42,45,46,47)/p+2/t29-,33-,37-/m1/s1","","2018-07-31","2019-04-12","4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium","2019-04-17"],["HZE","5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide","C22 H24 F2 N4 O2","CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(F)cc23)C(N)=O)N4CCNCC4;CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4","InChI=1S/C22H24F2N4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)","","2019-01-08","2019-04-26","5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide","2019-05-01"],["5MS","N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide","C18 H18 N4 O2 S","O=S(=O)(Nc1c(ccc(c1)Nc3ncnc(c2ccccc2)c3)C)C;Cc1ccc(Nc2cc(ncn2)c3ccccc3)cc1N[S](C)(=O)=O;Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3","InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21)","","2008-10-22","2011-06-04","N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide",""],["5MT","4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile","C21 H18 F N7 O2 S","C[CH](Nc1ncnc(N)c1C#N)c2nc3ccc(F)cc3n2c4cccc(c4)[S](C)(=O)=O;CC(c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N","InChI=1S/C21H18FN7O2S/c1-12(27-20-16(10-23)19(24)25-11-26-20)21-28-17-7-6-13(22)8-18(17)29(21)14-4-3-5-15(9-14)32(2,30)31/h3-9,11-12H,1-2H3,(H3,24,25,26,27)/t12-/m0/s1","","2015-10-22","2015-12-24","4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile","2015-12-29"],["HZF","(3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid","C22 H28 N4 O4","CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc(nn2)c3ccccc3)C(O)=O;CCC(CC)OC1C=C(CC(C1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O","InChI=1S/C22H28N4O4/c1-4-17(5-2)30-20-12-16(22(28)29)11-19(21(20)23-14(3)27)26-13-18(24-25-26)15-9-7-6-8-10-15/h6-10,12-13,17,19-21H,4-5,11H2,1-3H3,(H,23,27)(H,28,29)/t19-,20+,21+/m0/s1","","2021-03-02","2021-03-12","(3~{R},4~{R},5~{S})-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid","2021-03-17"],["5MU","5-METHYLURIDINE 5'-MONOPHOSPHATE","C10 H15 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1","","1999-07-08","2011-06-04","5-methyluridine 5'-(dihydrogen phosphate)",""],["HZG","1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium","C21 H20 N2 O S","c3cc(Cc1[n+](CC(C)=O)c2c(s1)cccc2)c4c([n+]3C)cccc4;CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14;CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C","InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2","","2018-07-31","2019-04-12","1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium","2019-04-17"],["5MV","3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid","C32 H27 Cl2 N3 O4","COc1ccc2cc(ccc2c1)c3cc(nn3[CH](C)c4ccc(cc4)C(=O)NCCC(O)=O)c5cc(Cl)cc(Cl)c5;CC(c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC","InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1","","2015-10-23","2016-04-15","3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid","2016-04-20"],["HZH","1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one","C11 H11 F3 O S","FC(F)(F)C(=O)CSCCc1ccccc1;FC(F)(F)C(=O)CSCCc1ccccc1;c1ccc(cc1)CCSCC(=O)C(F)(F)F","InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2","3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP","2008-06-11","2020-06-17","1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one",""],["HZI","Mangiferin","C19 H18 O11","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O;c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O","InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1","2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one","2022-02-07","2023-08-11","2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one","2023-08-16"],["5MW","(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid","C8 H15 N5 O2","NCc1cn(CCC[CH](N)C(O)=O)nn1;c1c(nnn1CCCC(C(=O)O)N)CN","InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1","","2015-10-23","2024-09-27","(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid","2016-05-18"],["5MX","benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate","C17 H17 N7 O4","O=C(OCc1ccccc1)NCCNC(=O)c2nc3N=C(N)NC(=O)c3nc2;NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCCNC(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N","InChI=1S/C17H17N7O4/c18-16-23-13-12(15(26)24-16)21-8-11(22-13)14(25)19-6-7-20-17(27)28-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,25)(H,20,27)(H3,18,22,23,24,26)","","2013-10-18","2014-01-10","benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate","2014-01-15"],["HZJ","(14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate","C18 H22 N2 O6 S2","c23c(c1c(cc(cc1)OS(N)(=O)=O)cc2)CCC4(C(CCC34)OS(N)(=O)=O)C;C[C]12CCc3c(ccc4cc(O[S](N)(=O)=O)ccc34)[CH]1CC[CH]2O[S](N)(=O)=O;CC12CCc3c4ccc(cc4ccc3C1CCC2OS(=O)(=O)N)OS(=O)(=O)N","InChI=1S/C18H22N2O6S2/c1-18-9-8-14-13-5-3-12(25-27(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(20,23)24/h2-5,10,16-17H,6-9H2,1H3,(H2,19,21,22)(H2,20,23,24)/t16-,17+,18+/m1/s1","","2018-07-31","2019-03-29","(14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate","2019-04-03"],["5MY","MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE","C6 H17 O21 P5","O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+","","2010-03-31","2011-06-04","(1R,2S,3r,4R,5S,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]",""],["HZK","(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide","C21 H19 Cl F N3 O4","O[C]1(CCN(C1=O)c2ccc3NC(=O)CCc3c2)C(=O)NCc4cc(F)cc(Cl)c4;c1cc2c(cc1N3CCC(C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2","InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1","","2019-01-08","2019-04-26","(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide","2019-05-01"],["5MZ","3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline","C9 H8 Cl N3 O","ClCc1nc(no1)c2cc(ccc2)N;Nc1cccc(c1)c2noc(CCl)n2;c1cc(cc(c1)N)c2nc(on2)CCl","InChI=1S/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5,11H2","","2011-04-04","2012-03-16","3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline",""],["HZL","[(2S)-3-[2-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate","C61 H104 N O8 P","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C61H104NO8P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43-59(63)67-52-57(70-60(64)44-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)53-69-71(65,66)68-51-50-62-49-47-55(4)41-38-40-54(3)45-46-58-56(5)42-39-48-61(58,6)7/h22-25,38,40-41,45-47,49,57H,8-21,26-37,39,42-44,48,50-53H2,1-7H3,(H,65,66)/b24-22-,25-23-,41-38+,46-45+,54-40+,55-47+,62-49+/t57-/m0/s1","","2021-03-03","2021-06-25","[(2~{S})-3-[2-[(~{E})-[(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate","2021-06-30"],["HZM","2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","C28 H36 N4 O4 S","C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4;CN(C)CCCC(=O)Nc1cccc(c1)[CH](OCCN2CCCCC2)c3sc4c(c3)nccc4C(O)=O;CN(C)CCCC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4","InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m0/s1","2-{(S)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form","2018-08-01","2024-09-27","2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["5N0","3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid","C64 H75 N23 O12","O=C(O)c1cccc(c1)C(=O)NCCCN(C)CCCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1nc(NC(=O)C(N)CCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C;CN(CCCNC(=O)c1cccc(c1)C(O)=O)CCCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5nc(NC(=O)[CH](N)CCNC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)c9nccn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C;Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C","InChI=1S/C64H75N23O12/c1-79(20-11-16-67-54(88)36-13-10-14-37(23-36)64(98)99)21-12-17-68-56(90)44-24-38(29-81(44)3)70-58(92)46-26-40(31-83(46)5)72-60(94)48-28-41(32-85(48)7)73-62(96)52-75-49(34-86(52)8)77-55(89)43(65)15-18-69-57(91)45-25-39(30-82(45)4)71-59(93)47-27-42(33-84(47)6)74-63(97)53-76-50(35-87(53)9)78-61(95)51-66-19-22-80(51)2/h10,13-14,19,22-35,43H,11-12,15-18,20-21,65H2,1-9H3,(H,67,88)(H,68,90)(H,69,91)(H,70,92)(H,71,93)(H,72,94)(H,73,96)(H,74,97)(H,77,89)(H,78,95)(H,98,99)/t43-/m1/s1","","2021-07-21","2022-01-07","3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid","2022-01-12"],["5N1","6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine","C22 H21 N5 O2","CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(cc3OCOc23)c4ccncc4;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc3c2OCO3)c4ccncc4","InChI=1S/C22H21N5O2/c1-3-18-16(21(23)27-22(24)26-18)5-4-13(2)17-10-15(14-6-8-25-9-7-14)11-19-20(17)29-12-28-19/h6-11,13H,3,12H2,1-2H3,(H4,23,24,26,27)/t13-/m0/s1","","2015-10-26","2016-05-13","6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine","2016-05-18"],["HZN","hydrazine","H4 N2","NN;NN;NN","InChI=1S/H4N2/c1-2/h1-2H2","","2013-10-17","2013-12-06","hydrazine","2013-12-11"],["HZO","2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one","C19 H17 N O","CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1;CC1(Cc2c(cnc3c2c4ccccc4cc3)C(=O)C1)C","InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3","","2021-03-05","2022-12-16","2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one","2022-12-21"],["5N2","2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile","C26 H22 N6 O2","O=C1NN=C(Cc2cccc(c2)C(=O)N3CCN(CC3)c4ncccc4C#N)c5ccccc15;c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N","InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)","","2015-10-26","2015-11-20","2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile","2015-11-25"],["5N3","~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine","C18 H16 Cl N7 O","CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(nc12)c5c[nH]nc5;CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C","InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)","","2015-10-26","2015-11-27","~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine","2015-12-02"],["HZP","(4S)-4-hydroxy-L-proline","C5 H9 N O3","O=C(O)C1NCC(O)C1;O[CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)O","InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1","","2009-04-16","2024-09-27","(4S)-4-hydroxy-L-proline",""],["HZQ","5-chloranylquinolin-8-ol","C9 H6 Cl N O","Oc1ccc(Cl)c2cccnc12;c1cc2c(ccc(c2nc1)O)Cl","InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H","","2019-01-08","2019-04-26","5-chloranylquinolin-8-ol","2019-05-01"],["5N4","~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine","C19 H19 N7 O","Cn1nccc1c2nc(Nc3n[nH]c4ccccc34)c5COC(C)(C)c5n2;CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C","InChI=1S/C19H19N7O/c1-19(2)15-12(10-27-19)16(23-18(21-15)14-8-9-20-26(14)3)22-17-11-6-4-5-7-13(11)24-25-17/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)","","2015-10-26","2015-11-27","~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine","2015-12-02"],["5N5","5'-amino-5'-deoxyadenosine","C10 H14 N6 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN)N;NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN)O)O)N","InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1","","2012-01-06","2012-03-09","5'-amino-5'-deoxyadenosine",""],["HZR","1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one","C20 H25 Cl N2 O","CCCCN1C=CC(=C(Cl)C1=O)N2CCC(CC2)c3ccccc3;CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3","InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3","","2021-03-05","2021-06-18","1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one","2021-06-23"],["5N6","9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C13 H21 N O10","CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)COC(C)=O)C(O)=O;CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)O)O)O","InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca\nrboxylic acid; 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosonic acid;\n9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid;\n9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosonic acid","2015-10-27","2020-07-17","(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca\nrboxylic acid","2016-03-23"],["HZS","(1R,3S)-5-methyl-2-[(1S)-2-naphthalen-1-yloxy-1-oxidanyl-ethyl]cyclohexane-1,3-diol","C19 H24 O4","C[CH]1C[CH](O)[CH]([CH](O)COc2cccc3ccccc23)[CH](O)C1;CC1CC(C(C(C1)O)C(COc2cccc3c2cccc3)O)O","InChI=1S/C19H24O4/c1-12-9-15(20)19(16(21)10-12)17(22)11-23-18-8-4-6-13-5-2-3-7-14(13)18/h2-8,12,15-17,19-22H,9-11H2,1H3/t12-,15+,16-,17-,19-/m1/s1","","2022-03-14","2022-05-27","(1~{R},3~{S})-5-methyl-2-[(1~{S})-2-naphthalen-1-yloxy-1-oxidanyl-ethyl]cyclohexane-1,3-diol","2022-06-01"],["5N7","(13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1,\n11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide","C42 H56 N10 O6 S","NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1;c1cc2ccc1CC(C(=O)NC(Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)N2)CC4)C(=O)NCc5ccc(cc5)C(=N)N)NS(=O)(=O)NC6CCCCC6","InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1","MI-133","2015-10-27","2020-06-17","","2016-07-13"],["HZT","~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide","C14 H13 F N4 O2 S2","Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1;c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3","InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)","","2019-01-08","2019-04-26","~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide","2019-05-01"],["HZU","(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid","C19 H25 F N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(CF)C(=O)O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](CF)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(CF)C(=O)O","InChI=1S/C19H25FN4O4/c1-2-14-16(17(21)24-19(22)23-14)28-9-5-8-27-15-7-4-3-6-12(15)10-13(11-20)18(25)26/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,25,26)(H4,21,22,23,24)/t13-/m1/s1","","2022-01-03","2022-02-04","(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid","2022-02-09"],["5N8","4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","C23 H17 F5 N6 O2","C[CH]1Cn2c(CN1C(=O)c3cccc(c3)C(F)(F)C4=NNC(=O)c5ccccc45)nnc2C(F)(F)F;CC1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F","InChI=1S/C23H17F5N6O2/c1-12-10-34-17(29-32-21(34)23(26,27)28)11-33(12)20(36)13-5-4-6-14(9-13)22(24,25)18-15-7-2-3-8-16(15)19(35)31-30-18/h2-9,12H,10-11H2,1H3,(H,31,35)/t12-/m0/s1","","2015-10-27","2016-02-26","4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one","2016-03-02"],["5N9","~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","C20 H18 Cl F3 N4 O","CC(C)Oc1ccc(cc1Cl)c2ncc(CNc3ccnc(c3)C(F)(F)F)cn2;CC(C)Oc1ccc(cc1Cl)c2ncc(cn2)CNc3ccnc(c3)C(F)(F)F","InChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26)","","2021-07-13","2022-07-22","~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","2022-07-27"],["HZV","2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","C28 H36 N4 O4 S","C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4;CN(C)CCCC(=O)Nc1cccc(c1)[CH](OCCN2CCCCC2)c3sc4c(c3)nccc4C(O)=O;CN(C)CCCC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4","InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m1/s1","2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form","2018-08-01","2024-09-27","2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid","2018-11-21"],["5NA","2-hydroxy-5-methyl naphthoic acid","C12 H10 O3","O=C(O)c1c2c(ccc1O)c(ccc2)C;Cc1cccc2c1ccc(O)c2C(O)=O;Cc1cccc2c1ccc(c2C(=O)O)O","InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)","2-hydroxy-5-methylnaphthalene-1-carboxylic acid","2009-07-10","2020-06-17","2-hydroxy-5-methylnaphthalene-1-carboxylic acid",""],["HZW","(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide","C18 H16 Cl F N2 O3","O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3;c1ccc(cc1)N2CCC(C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O","InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1","","2019-01-08","2019-04-26","(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide","2019-05-01"],["5NB","5'-amino-8-bromo-5'-deoxyadenosine","C10 H13 Br N6 O3","Brc2nc1c(ncnc1n2C3OC(C(O)C3O)CN)N;NC[CH]1O[CH]([CH](O)[CH]1O)n2c(Br)nc3c(N)ncnc23;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN)O)O)N","InChI=1S/C10H13BrN6O3/c11-10-16-4-7(13)14-2-15-8(4)17(10)9-6(19)5(18)3(1-12)20-9/h2-3,5-6,9,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,9-/m1/s1","","2012-01-06","2012-03-09","5'-amino-8-bromo-5'-deoxyadenosine",""],["HZX","2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","C14 H12 N4 O6","OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O;c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-]","InChI=1S/C14H12N4O6/c19-10-5-6-11(17-13(10)14(22)15-7-12(20)21)16-8-1-3-9(4-2-8)18(23)24/h1-6,19H,7H2,(H,15,22)(H,16,17)(H,20,21)","","2021-03-06","2021-10-08","2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","2021-10-13"],["HZY","6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium","C19 H21 N2 O6 S","COc1cc(cc(c1OC)OC)C[n+]2cc3c(cc2)cc(cc3)OS(=O)(=O)N;COc1cc(C[n+]2ccc3cc(O[S](N)(=O)=O)ccc3c2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N","InChI=1S/C19H21N2O6S/c1-24-17-8-13(9-18(25-2)19(17)26-3)11-21-7-6-14-10-16(27-28(20,22)23)5-4-15(14)12-21/h4-10,12H,11H2,1-3H3,(H2,20,22,23)/q+1","","2018-08-01","2019-03-22","6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium","2019-03-27"],["5NC","5-AZA-CYTIDINE-5'MONOPHOSPHATE","C8 H13 N4 O7 P","O=C1N=C(N=CN1C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=N1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=NC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C8H13N4O7P/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(19-6)2-18-20(15,16)17/h3-6,13H,1-2H2,(H2,9,11,14)(H2,15,16,17)/t4-,5+,6+/m0/s1","","1999-07-08","2011-06-04","4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one",""],["5ND","5-(2-NAPHTHYLMETHYL)-D-HYDANTOIN","C14 H12 N2 O2","O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3;O=C1N[CH](Cc2ccc3ccccc3c2)C(=O)N1;c1ccc2cc(ccc2c1)CC3C(=O)NC(=O)N3","InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m1/s1","","2014-05-01","2014-06-27","(5R)-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione","2014-07-02"],["HZZ","[(2~{Z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate","C10 H19 O4 P","CC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCOP(=O)(O)O)C)C","InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7-","[(2Z)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate; (Z)-3,7-Dimethylocta-2,6-dien-1-yl dihydrogen phosphate; Geranyl monophosphate","2019-02-01","2021-08-10","[(2~{Z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate","2019-06-05"],["5NE","5-methylnaphthalene-1-carboxylic acid","C12 H10 O2","O=C(O)c1cccc2c1cccc2C;Cc1cccc2c1cccc2C(O)=O;Cc1cccc2c1cccc2C(=O)O","InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)","","2016-01-18","2016-01-29","5-methylnaphthalene-1-carboxylic acid","2016-02-03"],["I00","~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide","C13 H17 N O3 S","O=CCCc1scc(c1)C(=O)NC2CCOCC2;c1c(csc1CCC=O)C(=O)NC2CCOCC2","InChI=1S/C13H17NO3S/c15-5-1-2-12-8-10(9-18-12)13(16)14-11-3-6-17-7-4-11/h5,8-9,11H,1-4,6-7H2,(H,14,16)","TAK-418 derivertive","2022-05-27","2022-10-07","~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide","2022-10-12"],["5NF","(3S,4S,5S,8S)-8-[(2S)-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione","C12 H20 N2 O5","CC[CH](C)[CH]1NC(=O)[C]2(NC1=O)OC[C](C)(O)[CH]2O;CCC(C)C1C(=O)NC2(C(C(CO2)(C)O)O)C(=O)N1","InChI=1S/C12H20N2O5/c1-4-6(2)7-8(15)14-12(10(17)13-7)9(16)11(3,18)5-19-12/h6-7,9,16,18H,4-5H2,1-3H3,(H,13,17)(H,14,15)/t6-,7-,9-,11-,12-/m0/s1","","2021-08-23","2023-02-10","(3~{S},4~{S},5~{S},8~{S})-8-[(2~{S})-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione","2023-02-15"],["I01","(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER","C27 H26 F N3 O6","Fc1c(OC)ccc(O)c1C(=O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccncc3;COc1ccc(O)c(c1F)C(=O)c2ccc(cc2)C(=O)O[CH]3CCCNC[CH]3NC(=O)c4ccncc4;COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccncc4)O","InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19-,21-/m1/s1","","2004-04-05","2011-06-04","(3R,4R)-3-[(pyridin-4-ylcarbonyl)amino]azepan-4-yl 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]benzoate",""],["I02","3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE","C28 H30 F N5 O4 S","Fc1ccc(cc1)C(NC(=O)c4cc(c2nnc(o2)C(N)(C)Cc3ccccc3)cc(N(C)S(=O)(=O)C)c4)C;C[CH](NC(=O)c1cc(cc(c1)c2oc(nn2)[C](C)(N)Cc3ccccc3)N(C)[S](C)(=O)=O)c4ccc(F)cc4;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)C(C)(Cc4ccccc4)N","InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1","","2006-10-25","2011-06-04","3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide",""],["5NG","[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","C42 H70 N14 O32 P6 S2","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc56;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O","InChI=1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/t21-,22?,27-,28-,29-,30?,31+,32+,39-,40-/m1/s1","CoA-disulfide","2015-10-27","2021-03-01","[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","2016-11-09"],["5NH","1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE","C39 H58 N6 O8","O=C(N2C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CCCC)C3CC2CC3)C(NC(=O)OC(C)(C)C)C4CCCCC4;CCCC[CH](NC(=O)[CH]1[CH]2CC[CH](C2)N1C(=O)[CH](NC(=O)OC(C)(C)C)C3CCCCC3)C(=O)C(=O)NCC(=O)N[CH](C(=O)N(C)C)c4ccccc4;CCCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)NC(=O)C2C3CCC(C3)N2C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C","InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26-,27+,28-,30-,31-,32-/m0/s1","","2005-12-23","2024-09-27","tert-butyl {(1S)-1-cyclohexyl-2-[(1R,3S,4S)-3-{[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}pentyl]carbamoyl}-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl}carbamate",""],["I03","(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL\n3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE","C28 H32 F N3 O6 S","O=S(=O)(N(c1cc(cc(c1)C(=O)OCC(N)(Cc2ccccc2)CO)C(=O)NC(c3ccc(F)cc3)C)C)C;C[CH](NC(=O)c1cc(cc(c1)C(=O)OC[C](N)(CO)Cc2ccccc2)N(C)[S](C)(=O)=O)c3ccc(F)cc3;CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OCC(Cc3ccccc3)(CO)N","InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1","N-[1-BENZYL-2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-N'-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[N-METHYL-N-(METHYLSULFONYL)AMINO]}I\nSOPHTHALIMIDE","2006-10-25","2020-06-17","(2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoate",""],["I04","N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE","C27 H27 F N4 O5","Fc1c(OC)ccc(O)c1C(=O)c2ccc(cc2)C(=O)NC4CCCNCC4NC(=O)c3ccncc3;COc1ccc(O)c(c1F)C(=O)c2ccc(cc2)C(=O)N[CH]3CCCNC[CH]3NC(=O)c4ccncc4;COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)NC3CCCNCC3NC(=O)c4ccncc4)O","InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1","","2004-04-06","2011-06-04","N-{(3R,4R)-4-[({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}pyridine-4-carboxamide",""],["5NI","5-NITROINDAZOLE","C7 H5 N3 O2","[O-][N+](=O)c1cc2c(cc1)nnc2;[O-][N+](=O)c1ccc2[nH]ncc2c1;c1cc2c(cc1[N+](=O)[O-])cn[nH]2","InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)","","2002-07-26","2011-06-04","5-nitro-1H-indazole",""],["I05","(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE","C27 H28 F N3 O5","Fc1c(OC)ccc(O)c1C(=O)c2ccc(cc2)COC4CCCNCC4NC(=O)c3ccncc3;COc1ccc(O)c(c1F)C(=O)c2ccc(CO[CH]3CCCNC[CH]3NC(=O)c4ccncc4)cc2;COc1ccc(c(c1F)C(=O)c2ccc(cc2)COC3CCCNCC3NC(=O)c4ccncc4)O","InChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20-,22-/m1/s1","","2004-04-05","2011-06-04","N-[(3R,4R)-4-({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]benzyl}oxy)azepan-3-yl]pyridine-4-carboxamide",""],["5NJ","6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid","C13 H18 N O8 P","Cc1ncc(CO[P](O)(O)=O)c(CCC(=O)CCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O","InChI=1S/C13H18NO8P/c1-8-13(18)11(4-2-10(15)3-5-12(16)17)9(6-14-8)7-22-23(19,20)21/h6,18H,2-5,7H2,1H3,(H,16,17)(H2,19,20,21)","","2015-10-27","2024-09-27","6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid","2016-10-19"],["I06","2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE","C16 H14 N2 O2","O=C2c1c(cccc1)C(=O)N(N2)CCc3ccccc3;O=C1NN(CCc2ccccc2)C(=O)c3ccccc13;c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2","InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)","","2000-02-01","2011-06-04","2-(2-phenylethyl)-2,3-dihydrophthalazine-1,4-dione",""],["5NK","2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol","C22 H30 N6 O","Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1;Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN","InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)","JNJ-2408068","2015-10-27","2020-06-17","2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol","2015-12-09"],["5NL","5-(2-NAPHTHYLMETHYL)-L-HYDANTOIN","C14 H12 N2 O2","O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3;O=C1N[CH](Cc2ccc3ccccc3c2)C(=O)N1;c1ccc2cc(ccc2c1)CC3C(=O)NC(=O)N3","InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m0/s1","","2014-05-01","2014-06-27","(5S)-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione","2014-07-02"],["I07","{6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate","C18 H17 N3 O3 S2","COc1cccc(c1)CN1N=Cc2c(C1=O)n(C)c1cc(sc12)[S+]([O-])C;COc1cccc(CN2N=Cc3c4sc(cc4n(C)c3C2=O)[S+](C)[O-])c1;Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)OC)[S+](C)[O-]","InChI=1S/C18H17N3O3S2/c1-20-14-8-15(26(3)23)25-17(14)13-9-19-21(18(22)16(13)20)10-11-5-4-6-12(7-11)24-2/h4-9H,10H2,1-3H3/t26-/m1/s1","","2023-07-24","2023-12-22","{6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate","2023-12-27"],["5NM","3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one","C21 H22 Br N5 O3 S","C[S](=O)(=O)CCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5cc(Br)ccc15;CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br","InChI=1S/C21H22BrN5O3S/c1-31(29,30)10-2-9-25-17-6-3-14(22)11-16(17)24-20(25)13-26-19-12-23-8-7-18(19)27(21(26)28)15-4-5-15/h3,6-8,11-12,15H,2,4-5,9-10,13H2,1H3","JNJ-49153390","2015-10-27","2021-03-01","3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one","2015-12-09"],["I08","(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE","C28 H28 F N3 O4","Fc1c(OC)ccc(O)c1C(=O)c2ccc(cc2)C=CC4CCCNCC4NC(=O)c3ccncc3;COc1ccc(O)c(c1F)C(=O)c2ccc(C=C[CH]3CCCNC[CH]3NC(=O)c4ccncc4)cc2;COc1ccc(c(c1F)C(=O)c2ccc(cc2)C=CC3CCCNCC3NC(=O)c4ccncc4)O","InChI=1S/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1","","2004-04-14","2011-06-04","N-{(3S,4S)-4-[(E)-2-{4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}ethenyl]azepan-3-yl}pyridine-4-carboxamide",""],["5NN","5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE","C15 H12 N2 O","O=C2c3cccc(c3C=C(c1ccccc1)N2)N;Nc1cccc2C(=O)NC(=Cc12)c3ccccc3;c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2","InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18)","","2014-08-08","2015-07-24","5-amino-3-phenylisoquinolin-1(2H)-one","2015-07-29"],["I09","(3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide","C27 H33 Cl2 N3 O3","Clc1cccc(c1)C3C(C(=O)NCCC(O)CO)NC(CC(C)(C)C)C3(C#N)c2ccc(Cl)cc2;CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2)[C]1(C#N)c3ccc(Cl)cc3)C(=O)NCC[CH](O)CO;CC(C)(C)CC1C(C(C(N1)C(=O)NCCC(CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl","InChI=1S/C27H33Cl2N3O3/c1-26(2,3)14-22-27(16-30,18-7-9-19(28)10-8-18)23(17-5-4-6-20(29)13-17)24(32-22)25(35)31-12-11-21(34)15-33/h4-10,13,21-24,32-34H,11-12,14-15H2,1-3H3,(H,31,35)/t21-,22-,23-,24+,27-/m0/s1","","2013-04-01","2013-07-19","(3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide","2013-07-24"],["I0A","25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane","C30 H34 Cl N5 O5 S","CC[S](=O)(=O)n1cc2c3ccc(OCCCCCCOc4cc(Nc5ncc(Cl)c2n5)ccc4N6CCOCC6)cc13;CCS(=O)(=O)n1cc-2c3c1cc(cc3)OCCCCCCOc4cc(ccc4N5CCOCC5)Nc6ncc(c2n6)Cl","InChI=1S/C30H34ClN5O5S/c1-2-42(37,38)36-20-24-23-9-8-22(18-27(23)36)40-13-5-3-4-6-14-41-28-17-21(33-30-32-19-25(31)29(24)34-30)7-10-26(28)35-11-15-39-16-12-35/h7-10,17-20H,2-6,11-16H2,1H3,(H,32,33,34)","","2022-05-27","2022-06-03","","2022-06-08"],["5NO","1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one","C21 H23 N5 O2","OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15;c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5","InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2","BMS-433771","2015-10-27","2021-03-01","1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one","2015-12-09"],["5NP","(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one","C21 H15 Cl N4 O2","Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5;c1cc(cnc1)C(=O)N2CCN3C2(c4cnccc4C3=O)c5ccc(cc5)Cl","InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1","BTA-9881","2015-10-27","2020-06-17","(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one","2015-12-09"],["I0B","5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine","C30 H38 Br N11 O4","Brc1cccc(c1)NC(=N)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCNC(=N)Nc4cccc(Br)c4)CCNC(=O)NCc5ccccc5)[CH](O)[CH]3O;c1ccc(cc1)CNC(=O)NCCN(CCCNC(=N)Nc2cccc(c2)Br)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C30H38BrN11O4/c31-20-8-4-9-21(14-20)40-29(33)34-10-5-12-41(13-11-35-30(45)36-15-19-6-2-1-3-7-19)16-22-24(43)25(44)28(46-22)42-18-39-23-26(32)37-17-38-27(23)42/h1-4,6-9,14,17-18,22,24-25,28,43-44H,5,10-13,15-16H2,(H2,32,37,38)(H3,33,34,40)(H2,35,36,45)/t22-,24-,25-,28-/m1/s1","","2023-05-01","2024-02-16","5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine","2024-02-21"],["5NQ","3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione","C23 H32 N8 O2 S","CCCCN1C(=O)NC(=O)c2n(CC)c(CSc3nn4c(C)c(CCCC)c(C)nc4n3)nc12;CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C","InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)","","2015-10-28","2016-01-15","3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione","2016-01-20"],["I0C","(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid","C27 H38 N12 O9","O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;N[CH](CCN(CCCNc1ncnc2n(cnc12)C3OC(CO)C(O)C3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCNc4c5c(ncn4)n(cn5)C6C(C(C(O6)CO)O)O)CCC(C(=O)O)N)O)O)N","InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13+,14?,17+,18?,19+,20?,25+,26?/m0/s1","","2023-07-24","2024-09-16","(2S)-2-amino-4-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[3-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)propyl]amino)butanoic acid (non-preferred name)","2023-11-08"],["5NR","2-[4-(phenylmethyl)piperidin-1-yl]ethanamine","C14 H22 N2","NCCN1CCC(CC1)Cc2ccccc2;c1ccc(cc1)CC2CCN(CC2)CCN","InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2","","2015-10-28","2016-01-29","2-[4-(phenylmethyl)piperidin-1-yl]ethanamine","2016-02-03"],["I0D","4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one","C15 H17 Cl N4 O","CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3;CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1","InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3","","2016-12-06","2017-12-15","4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one","2017-12-20"],["I0E","(2S)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid","C19 H26 N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(C)C(=O)O","InChI=1S/C19H26N4O4/c1-3-14-16(17(20)23-19(21)22-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(24)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,24,25)(H4,20,21,22,23)/t12-/m0/s1","","2022-01-03","2022-02-04","(2S)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid","2022-02-09"],["5NS","5-aminonaphthalene-1-sulfonic acid","C10 H9 N O3 S","O=S(=O)(O)c1cccc2c1cccc2N;Nc1cccc2c1cccc2[S](O)(=O)=O;c1cc2c(cccc2S(=O)(=O)O)c(c1)N","InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)","","2008-03-13","2011-06-04","5-aminonaphthalene-1-sulfonic acid",""],["5NT","2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","C11 H15 N5 O3","NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)C[CH]3O;c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(CC(N3)CO)O","InChI=1S/C11H15N5O3/c12-11-15-8-5(2-13-9(8)10(19)16-11)7-6(18)1-4(3-17)14-7/h2,4,6-7,13-14,17-18H,1,3H2,(H3,12,15,16,19)/t4-,6+,7-/m0/s1","","2015-10-28","2016-11-04","2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","2016-11-09"],["I0F","2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide","C18 H23 N3 O6","CN(C)c1ccc(cc1)C=C(C#N)C(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CN(C)c1ccc(cc1)C=C(C#N)C(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C18H23N3O6/c1-21(2)12-5-3-10(4-6-12)7-11(8-19)17(26)20-18-16(25)15(24)14(23)13(9-22)27-18/h3-7,13-16,18,22-25H,9H2,1-2H3,(H,20,26)/b11-7+/t13-,14-,15+,16-,18-/m1/s1","","2022-02-08","2022-08-22","(~{E})-2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]prop-2-enamide","2022-03-02"],["5NU","5-nitrouracil","C4 H3 N3 O4","O=C1C([N+]([O-])=O)=CNC(=O)N1;[O-][N+](=O)C1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]","InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)","","2012-10-25","2013-09-06","5-nitropyrimidine-2,4(1H,3H)-dione","2013-09-11"],["I0G","(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL","C18 H18 O3","Oc1ccc(cc1)C4Oc2c(cc(O)cc2)C3CCCC34;Oc1ccc(cc1)[CH]2Oc3ccc(O)cc3[CH]4CCC[CH]24;c1cc(ccc1C2C3CCCC3c4cc(ccc4O2)O)O","InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1","","2006-08-11","2011-06-04","(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",""],["5NV","8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione","C17 H17 Cl N8 O2 S","CCn1c(CSc2[nH]nc(N)n2)nc3N(Cc4ccc(Cl)cc4)C(=O)NC(=O)c13;CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N","InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)","","2015-10-28","2016-01-15","8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione","2016-01-20"],["I0H","[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C12 H18 F N6 O6 P","CNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[C]3(C)F;CC1(C(C(OC1n2cnc3c2nc(nc3NC)N)COP(=O)(O)O)O)F","InChI=1S/C12H18FN6O6P/c1-12(13)7(20)5(3-24-26(21,22)23)25-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20H,3H2,1-2H3,(H2,21,22,23)(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1","","2023-07-24","2024-07-26","[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2024-07-31"],["I0I","3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide","C30 H34 N4 O2","CC(NC(=O)c1cc(ccc1)C(c1ccccc1)N1C(=N)NC(C)(CC1=O)C(C)C)c1ccccc1;CC(C)[C]1(C)CC(=O)N([CH](c2ccccc2)c3cccc(c3)C(=O)N[CH](C)c4ccccc4)C(=N)N1;CC(C)C1(CC(=O)N(C(=N)N1)C(c2ccccc2)c3cccc(c3)C(=O)NC(C)c4ccccc4)C","InChI=1S/C30H34N4O2/c1-20(2)30(4)19-26(35)34(29(31)33-30)27(23-14-9-6-10-15-23)24-16-11-17-25(18-24)28(36)32-21(3)22-12-7-5-8-13-22/h5-18,20-21,27H,19H2,1-4H3,(H2,31,33)(H,32,36)/t21-,27+,30-/m0/s1","","2022-01-04","2022-04-29","3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide","2022-05-04"],["5NW","N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine","C23 H27 N7 O","COc1cc(ccc1Nc2ncc3ccnc(NCC(C)(C)C)c3n2)c4cnn(C)c4;CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C","InChI=1S/C23H27N7O/c1-23(2,3)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-5)17-12-27-30(4)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)","","2015-10-28","2016-04-15","~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine","2016-04-20"],["5NX","3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione","C21 H20 Cl N6 O7","NC1=Nc2n(c[n+](Cc3cccc(Cl)c3)c2C(=O)N1)[CH]4O[CH](CNC5=C(O)C(=O)C5=O)[CH](O)[CH]4O;c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)CNC5=C(C(=O)C5=O)O)O)O","InChI=1S/C21H19ClN6O7/c22-9-3-1-2-8(4-9)6-27-7-28(18-12(27)19(34)26-21(23)25-18)20-17(33)13(29)10(35-20)5-24-11-14(30)16(32)15(11)31/h1-4,7,10,13,17,20,29,33H,5-6H2,(H4-,23,24,25,26,30,31,32,34)/p+1/t10-,13-,17-,20-/m1/s1","","2015-10-28","2016-09-02","3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione","2016-09-07"],["I0J","2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one","C24 H29 N3 O2","NC1=Nc2cc(CCCCCc3ccccc3)ccc2C(=O)N1C[CH]4CCCO4;c1ccc(cc1)CCCCCc2ccc3c(c2)N=C(N(C3=O)CC4CCCO4)N","InChI=1S/C24H29N3O2/c25-24-26-22-16-19(11-6-2-5-10-18-8-3-1-4-9-18)13-14-21(22)23(28)27(24)17-20-12-7-15-29-20/h1,3-4,8-9,13-14,16,20H,2,5-7,10-12,15,17H2,(H2,25,26)/t20-/m1/s1","","2022-02-08","2022-08-22","2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one","2022-06-29"],["I0K","(2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile","C15 H13 N O2","Oc1ccc(C[CH](C#N)c2ccc(O)cc2)cc1;c1cc(ccc1CC(C#N)c2ccc(cc2)O)O","InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1","","2022-05-30","2022-07-15","(2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile","2022-07-20"],["5NY","2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide","C29 H24 Cl N9 O","Cc1ccc2n3C[C](CCc3c(c4[nH]nnn4)c2c1)(NC(=O)c5ccc(cc5Cl)n6cnnc6)c7ccccc7;Cc1ccc2c(c1)c(c3n2CC(CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7","InChI=1S/C29H24ClN9O/c1-18-7-10-24-22(13-18)26(27-34-36-37-35-27)25-11-12-29(15-39(24)25,19-5-3-2-4-6-19)33-28(40)21-9-8-20(14-23(21)30)38-16-31-32-17-38/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,33,40)(H,34,35,36,37)/t29-/m1/s1","","2015-10-28","2015-11-13","2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide","2015-11-18"],["5NZ","6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine","C41 H43 N8","Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cnnn4CCNc5c6CCCCc6nc7ccccc57)c(c8ccccc8)c2c1;c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N","InChI=1S/C41H42N8/c42-29-18-20-32-33-21-19-30(43)26-39(33)48(41(36(32)25-29)28-11-3-1-4-12-28)23-10-2-5-13-31-27-45-47-49(31)24-22-44-40-34-14-6-8-16-37(34)46-38-17-9-7-15-35(38)40/h1,3-4,6,8,11-12,14,16,18-21,25-27,43H,2,5,7,9-10,13,15,17,22-24,42H2,(H,44,46)/p+1","","2015-10-29","2016-01-15","6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine","2016-01-20"],["I0L","(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide","C29 H36 N4 O4","N=C1NC(CC)(CC)CC(=O)N1C1CCOc2ccc(cc21)C(=O)NC1CC(C)(C)Oc2ccccc21;CCC1(CC)CC(=O)N([CH]2CCOc3ccc(cc23)C(=O)N[CH]4CC(C)(C)Oc5ccccc45)C(=N)N1;CCC1(CC(=O)N(C(=N)N1)C2CCOc3c2cc(cc3)C(=O)NC4CC(Oc5c4cccc5)(C)C)CC","InChI=1S/C29H36N4O4/c1-5-29(6-2)17-25(34)33(27(30)32-29)22-13-14-36-23-12-11-18(15-20(22)23)26(35)31-21-16-28(3,4)37-24-10-8-7-9-19(21)24/h7-12,15,21-22H,5-6,13-14,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t21-,22+/m0/s1","","2022-01-04","2022-04-29","(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide","2022-05-04"],["5O0","4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid","C20 H16 Cl N3 O6 S","Nc1cc(Cl)ccc1NC(=O)Nc2cccc(c2)[S](=O)(=O)Oc3ccc(cc3)C(O)=O;c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl","InChI=1S/C20H16ClN3O6S/c21-13-6-9-18(17(22)10-13)24-20(27)23-14-2-1-3-16(11-14)31(28,29)30-15-7-4-12(5-8-15)19(25)26/h1-11H,22H2,(H,25,26)(H2,23,24,27)","","2015-10-29","2016-10-21","4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid","2016-10-26"],["I0M","2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid","C27 H32 Cl2 N6 O4","C[NH+]1CCN(CC1)c2ncc(Oc3cc(C[NH+]4CC[CH](C4)OCC(O)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2;C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(C5)OCC(=O)O","InChI=1S/C27H30Cl2N6O4/c1-33-4-6-35(7-5-33)27-30-13-23(14-31-27)39-25-9-18(15-34-3-2-22(16-34)38-17-26(36)37)8-24(32-25)19-10-20(28)12-21(29)11-19/h8-14,22H,2-7,15-17H2,1H3,(H,36,37)/p+2/t22-/m0/s1","","2022-02-08","2022-08-22","2-[(3~{S})-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid","2022-04-13"],["5O1","~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine","C24 H27 N7 O","COc1cc(ccc1Nc2ncc3ccnc(NC4CCCCC4)c3n2)c5cnn(C)c5;Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5","InChI=1S/C24H27N7O/c1-31-15-18(14-27-31)16-8-9-20(21(12-16)32-2)29-24-26-13-17-10-11-25-23(22(17)30-24)28-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,28)(H,26,29,30)","","2015-10-29","2016-11-04","~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine","2016-11-09"],["I0N","methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","C24 H26 Cl N O4","COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(Cl)cc3;COC(=O)C(=CC(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)O","InChI=1S/C24H26ClNO4/c1-30-23(29)21(27)15-22(28)24(16-18-7-9-20(25)10-8-18)11-13-26(14-12-24)17-19-5-3-2-4-6-19/h2-10,15,27H,11-14,16-17H2,1H3/b21-15-","","2021-12-28","2022-02-11","methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["5O2","6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine","C41 H43 N8","Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cn(CCNc5c6CCCCc6nc7ccccc57)nn4)c(c8ccccc8)c2c1;c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N","InChI=1S/C41H42N8/c42-29-18-20-32-33-21-19-30(43)26-39(33)49(41(36(32)25-29)28-11-3-1-4-12-28)23-10-2-5-13-31-27-48(47-46-31)24-22-44-40-34-14-6-8-16-37(34)45-38-17-9-7-15-35(38)40/h1,3-4,6,8,11-12,14,16,18-21,25-27,43H,2,5,7,9-10,13,15,17,22-24,42H2,(H,44,45)/p+1","anti TZ2PA5","2015-10-29","2021-03-01","6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine","2016-01-20"],["I0O","4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose","C50 H84 N O7 P","OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1OC[CH](N)[CH](O)[CH]1O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(CO1)N)O)O)C)C)C)C)C)C)C)C)C","InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1","","2022-01-04","2022-04-01","4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose","2022-04-06"],["5O3","4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid","C20 H17 Cl N4 O5 S","Nc1cc(Cl)ccc1NC(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(cc3)C(O)=O;c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl","InChI=1S/C20H17ClN4O5S/c21-13-6-9-18(17(22)10-13)24-20(28)23-15-2-1-3-16(11-15)31(29,30)25-14-7-4-12(5-8-14)19(26)27/h1-11,25H,22H2,(H,26,27)(H2,23,24,28)","","2015-10-29","2016-10-21","4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid","2016-10-26"],["I0P","D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE","C6 H16 O18 P4","O=P(OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1","","2011-11-01","2014-05-13","(1R,2S,3S,4R,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]",""],["I0Q","(2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate","C33 H42 Cl2 N7 O4","C[CH](CC[NH+]1CCN(CC1)c2ncc(Oc3cc(C[NH+]4CCC(CC4)CNC(C)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2)C([O-])=O;CC(CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-]","InChI=1S/C33H41Cl2N7O4/c1-22(32(44)45)3-6-40-9-11-42(12-10-40)33-37-19-29(20-38-33)46-31-14-25(13-30(39-31)26-15-27(34)17-28(35)16-26)21-41-7-4-24(5-8-41)18-36-23(2)43/h13-17,19-20,22,24H,3-12,18,21H2,1-2H3,(H,36,43)(H,44,45)/p+1/t22-/m1/s1","","2022-02-08","2022-08-22","(2~{R})-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate","2022-04-20"],["5O4","4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine","C16 H11 N3 O","[nH]1nc2ccnc(c3cocc3)c2c1c4ccccc4;c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2","InChI=1S/C16H11N3O/c1-2-4-11(5-3-1)16-14-13(18-19-16)6-8-17-15(14)12-7-9-20-10-12/h1-10H,(H,18,19)","","2015-10-29","2016-04-15","4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine","2016-04-20"],["5O5","5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole","C8 H6 Cl2 N4 O","Clc1ccc(OCc2[nH]nnn2)cc1Cl;c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl","InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)","","2015-10-29","2016-03-04","5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole","2016-03-09"],["I0R","6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one","C16 H14 N4 O2 S","Oc1ccc(cc1)CN1N=Cc2c(C1=O)n(C)c1nc(C)sc12;Cn1c2nc(C)sc2c3C=NN(Cc4ccc(O)cc4)C(=O)c13;Cc1nc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccc(cc4)O","InChI=1S/C16H14N4O2S/c1-9-18-15-14(23-9)12-7-17-20(16(22)13(12)19(15)2)8-10-3-5-11(21)6-4-10/h3-7,21H,8H2,1-2H3","","2023-07-24","2023-12-22","6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one","2023-12-27"],["5O6","(~{E})-3-(4-methoxyphenyl)but-2-enoic acid","C11 H12 O3","COc1ccc(cc1)C(C)=CC(O)=O;CC(=CC(=O)O)c1ccc(cc1)OC","InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+","","2015-10-29","2016-02-26","(~{E})-3-(4-methoxyphenyl)but-2-enoic acid","2016-03-02"],["I0S","(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide","C23 H25 N3 O4 S2","O=C(Nc1nc(cs1)c1ccc(OC)cc1)C1CCCCN1S(=O)(=O)c1ccc(C)cc1;COc1ccc(cc1)c2csc(NC(=O)[CH]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2;Cc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)Nc3nc(cs3)c4ccc(cc4)OC","InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)","","2022-01-04","2022-07-01","(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide","2022-07-06"],["5O7","~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine","C19 H18 N6 O2","COc1ccc(Nc2ncc3ccnc(c4cnn(C)c4)c3n2)c(OC)c1;Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC","InChI=1S/C19H18N6O2/c1-25-11-13(10-22-25)17-18-12(6-7-20-17)9-21-19(24-18)23-15-5-4-14(26-2)8-16(15)27-3/h4-11H,1-3H3,(H,21,23,24)","","2015-10-29","2016-04-15","~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine","2016-04-20"],["I0T","N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide","C32 H42 Cl2 N6 O3","COCC[NH+]1CCN(CC1)c2ccc(Oc3cc(C[NH+]4CCC(CC4)CNC(C)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2;CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl","InChI=1S/C32H40Cl2N6O3/c1-23(41)35-20-24-5-7-39(8-6-24)22-25-15-30(26-17-27(33)19-28(34)18-26)37-32(16-25)43-29-3-4-31(36-21-29)40-11-9-38(10-12-40)13-14-42-2/h3-4,15-19,21,24H,5-14,20,22H2,1-2H3,(H,35,41)/p+2","","2022-02-08","2022-08-22","~{N}-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide","2022-04-20"],["I0U","5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one","C22 H25 Br N4 O2","CN1C=C(C=C(C)C1=O)c2nc3cc(Br)ccc3n2C[CH]4CCCN(C4)C(C)=O;CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2CC4CCCN(C4)C(=O)C)Br","InChI=1S/C22H25BrN4O2/c1-14-9-17(13-25(3)22(14)29)21-24-19-10-18(23)6-7-20(19)27(21)12-16-5-4-8-26(11-16)15(2)28/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3/t16-/m1/s1","","2023-07-25","2023-10-13","5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one","2023-10-18"],["5O8","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide","C18 H20 F3 N6 O6 S","NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O)N1)[CH]4O[CH](CN[S](=O)(=O)C(F)(F)F)[CH](O)[CH]4O;c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)CNS(=O)(=O)C(F)(F)F)O)O","InChI=1S/C18H19F3N6O6S/c19-18(20,21)34(31,32)23-6-10-12(28)13(29)16(33-10)27-8-26(7-9-4-2-1-3-5-9)11-14(27)24-17(22)25-15(11)30/h1-5,8,10,12-13,16,23,28-29H,6-7H2,(H2-,22,24,25,30)/p+1/t10-,12-,13-,16-/m1/s1","","2015-10-29","2016-09-02","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide","2016-09-07"],["5OA","5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine","C16 H19 Cl2 N5","C[CH]1CN(C[CH](C)N1)c2ncc(c(N)n2)c3cccc(Cl)c3Cl;CC1CN(CC(N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl","InChI=1S/C16H19Cl2N5/c1-9-7-23(8-10(2)21-9)16-20-6-12(15(19)22-16)11-4-3-5-13(17)14(11)18/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,20,22)/t9-,10+","SHP836","2015-10-29","2021-03-01","5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine","2016-07-06"],["I0V","(6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol","C30 H38 N2 O2","CCNCCc1ccc(cc1)CN(CC)c1cc(OC)ccc1C1Cc2ccc(O)cc2CC1;CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[CH]3CCc4cc(O)ccc4C3)cc1;CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2C3CCc4cc(ccc4C3)O)OC","InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1","","2022-01-05","2022-01-14","(6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol","2022-01-19"],["5OB","5-METHOXYBENZIMIDAZOLE","C8 H8 N2 O","n2c1ccc(OC)cc1nc2;COc1ccc2nc[nH]c2c1;COc1ccc2c(c1)[nH]cn2","InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)","","2001-07-03","2011-06-04","6-methoxy-1H-benzimidazole",""],["I0W","3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate","C32 H39 Cl2 N6 O4","CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3ccc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5;CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl","InChI=1S/C32H38Cl2N6O4/c1-22(41)35-19-23-4-7-39(8-5-23)21-24-14-29(25-16-26(33)18-27(34)17-25)37-31(15-24)44-28-2-3-30(36-20-28)40-12-10-38(11-13-40)9-6-32(42)43/h2-3,14-18,20,23H,4-13,19,21H2,1H3,(H,35,41)(H,42,43)/p+1","","2022-02-08","2022-08-22","3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate","2022-04-20"],["5OC","2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)","C9 H14 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(O)=C1)CC2O;NC1=NC(=O)N(C=C1O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O","InChI=1S/C9H14N3O8P/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(20-7)3-19-21(16,17)18/h2,4,6-7,13-14H,1,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1","","2011-08-15","2011-11-04","2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)",""],["I0X","Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide","C31 H34 N4 O5","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)C=[N+]=[N-])Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3;CC(C)(C)Oc1ccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)C=[N+]=[N-])cc1;CC(C)(C)Oc1ccc(cc1)CC(C(=O)C=[N+]=[N-])NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C31H34N4O5/c1-31(2,3)40-25-16-14-23(15-17-25)18-26(28(36)20-33-32)34-29(37)27(19-22-10-6-4-7-11-22)35-30(38)39-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1","Z-Phe-Tyr(t-Bu)-diazomethylketone","2010-11-01","2024-09-27","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-diazo-3-oxobutan-2-yl]-L-phenylalaninamide",""],["I0Y","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide","C31 H36 N2 O6","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)CO)Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3;CC(C)(C)Oc1ccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)CO)cc1;CC(C)(C)Oc1ccc(cc1)CC(C(=O)CO)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C31H36N2O6/c1-31(2,3)39-25-16-14-23(15-17-25)18-26(28(35)20-34)32-29(36)27(19-22-10-6-4-7-11-22)33-30(37)38-21-24-12-8-5-9-13-24/h4-17,26-27,34H,18-21H2,1-3H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1","Z-Phe-Tyr(OBut)-COCHO","2010-11-01","2024-09-27","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide",""],["A29","2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID","C8 H6 O4","O=C(c1cc(O)ccc1)C(=O)O;OC(=O)C(=O)c1cccc(O)c1;c1cc(cc(c1)O)C(=O)C(=O)O","InChI=1S/C8H6O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","","2009-02-02","2011-06-04","(3-hydroxyphenyl)(oxo)acetic acid",""],["A2B","L-xylulofuranose-1,2-borate","C5 H10 B O7","OCC21C(O[B-](O1)(O)O)C(O)CO2;OC[C]12OC[CH](O)[CH]1O[B-](O)(O)O2;[B-]1(OC2C(COC2(O1)CO)O)(O)O","InChI=1S/C5H10BO7/c7-2-5-4(3(8)1-11-5)12-6(9,10)13-5/h3-4,7-10H,1-2H2/q-1/t3-,4+,5+/m0/s1","","2015-03-16","2016-03-18","dihydroxy[beta-L-xylulofuranosato(2-)-kappa~2~O~2~,O~3~]borate(1-)","2016-03-23"],["I0Z","1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one","C29 H39 N5 O2","CC(C)N1CCC(CC1)C(=O)N2CCC[CH](C2)Cn3c4ccccc4nc3C5=CN(C)C(=O)C(=C5)C;CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCCN(C4)C(=O)C5CCN(CC5)C(C)C","InChI=1S/C29H39N5O2/c1-20(2)32-14-11-23(12-15-32)29(36)33-13-7-8-22(17-33)18-34-26-10-6-5-9-25(26)30-27(34)24-16-21(3)28(35)31(4)19-24/h5-6,9-10,16,19-20,22-23H,7-8,11-15,17-18H2,1-4H3/t22-/m1/s1","","2023-07-25","2023-10-13","1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one","2023-10-18"],["I10","1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE","C26 H31 N3 O4 S","O=S(=O)(c1ncccc1)NCC(O)CNC(=O)C(c3cccc(c2ccccc2)c3)CC(C)C;CC(C)C[CH](C(=O)NC[CH](O)CN[S](=O)(=O)c1ccccn1)c2cccc(c2)c3ccccc3;CC(C)CC(c1cccc(c1)c2ccccc2)C(=O)NCC(CNS(=O)(=O)c3ccccn3)O","InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24-/m1/s1","","1999-07-08","2024-09-27","(2R)-2-biphenyl-3-yl-N-{(2R)-2-hydroxy-3-[(pyridin-2-ylsulfonyl)amino]propyl}-4-methylpentanamide",""],["A2C","3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)","C18 H20 N6 O2","NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1;c1cc(c(cc1C(=N)N)C=NCCN=Cc2cc(ccc2O)C(=N)N)O","InChI=1S/C18H20N6O2/c19-17(20)11-1-3-15(25)13(7-11)9-23-5-6-24-10-14-8-12(18(21)22)2-4-16(14)26/h1-4,7-10,25-26H,5-6H2,(H3,19,20)(H3,21,22)","","2009-12-03","2011-06-04","3-[2-[(5-carbamimidoyl-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-benzenecarboximidamide",""],["I11","[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE","C22 H36 N5 O4 S","O=C(N1CCCCC1)C(NC(=O)CNS(=O)(=O)C2CCCCC2)CCNc3cc[nH+]cc3;O=C(CN[S](=O)(=O)C1CCCCC1)N[CH](CCNc2cc[nH+]cc2)C(=O)N3CCCCC3;c1c[nH+]ccc1NCCC(C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3","InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)/p+1/t20-/m1/s1","","1999-07-08","2011-06-04","N~2~-(cyclohexylsulfonyl)-N-[(1R)-1-(piperidin-1-ylcarbonyl)-3-(pyridinium-4-ylamino)propyl]glycinamide",""],["A2D","BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE","C20 H26 N10 O13 P2","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N","InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","BIS(ADENOSINE)-5'-DIPHOSPHATE","2006-10-25","2021-03-01","bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name)",""],["I12","N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE","C30 H46 N6 O8","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC(C)C)C(C)C)C)c2noc(c2)C;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](C)NC(=O)c2cc(C)on2)C(C)C;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)c2cc(on2)C","InChI=1S/C30H46N6O8/c1-8-43-24(37)10-9-21(15-20-11-12-31-27(20)39)33-28(40)22(13-16(2)3)34-30(42)25(17(4)5)35-26(38)19(7)32-29(41)23-14-18(6)44-36-23/h9-10,14,16-17,19-22,25H,8,11-13,15H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)/b10-9+/t19-,20-,21+,22-,25-/m0/s1","(E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER","2004-08-30","2024-09-27","N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide",""],["A2E","(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE","C32 H44 N4 O","O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4;O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCNc3c4CCCCc4nc5ccccc35;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O)N5","InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1","(S)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE;\n(S)-TACRINE(10)-HUPYRIDONE","2005-05-03","2020-06-17","(5S)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one",""],["A2F","2-fluoroadenine","C5 H4 F N5","Fc1nc(c2c(n1)ncn2)N;Nc1nc(F)nc2nc[nH]c12;c1[nH]c2c(nc(nc2n1)F)N","InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)","2-fluoro-7H-purin-6-amine","2009-02-20","2021-03-01","2-fluoro-7H-purin-6-amine",""],["I13","1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea","C20 H24 Cl N5 O4","O=[N+]([O-])c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NOCCN)C)c2)(C)C;CC(=NOCCN)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)[N+]([O-])=O;CC(=NOCCN)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl","InChI=1S/C20H24ClN5O4/c1-13(25-30-10-9-22)14-5-4-6-15(11-14)20(2,3)24-19(27)23-16-7-8-17(21)18(12-16)26(28)29/h4-8,11-12H,9-10,22H2,1-3H3,(H2,23,24,27)/b25-13+","","2014-11-26","2014-12-26","1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea","2014-12-31"],["A2G","2-acetamido-2-deoxy-alpha-D-galactopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1","N-acetyl-alpha-D-galactosamine; 2-acetamido-2-deoxy-alpha-D-galactose; 2-acetamido-2-deoxy-D-galactose;\n2-acetamido-2-deoxy-galactose; N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE","1999-07-08","2024-09-27","2-(acetylamino)-2-deoxy-alpha-D-galactopyranose",""],["I14","N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide","C20 H21 N5 O2","c3(N)c1c(n(CCOC)cc1C#Cc2c(ccc(c2)NC(C)=O)C)ncn3;COCCn1cc(C#Cc2cc(NC(C)=O)ccc2C)c3c(N)ncnc13;Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C","InChI=1S/C20H21N5O2/c1-13-4-7-17(24-14(2)26)10-15(13)5-6-16-11-25(8-9-27-3)20-18(16)19(21)22-12-23-20/h4,7,10-12H,8-9H2,1-3H3,(H,24,26)(H2,21,22,23)","","2020-04-13","2020-06-12","N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide","2020-06-17"],["A2H","4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine","C20 H22 B Cl N6 O9 P","CCOc1ccc(Cl)c2[CH](CN)O[B-]3(O[CH]4[CH](CO[P]([O-])([O-])=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12;[B-]12(c3c(ccc(c3C(O1)CN)Cl)OCC)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]","InChI=1S/C20H24BClN6O9P/c1-2-32-10-4-3-9(22)13-11(5-23)35-21(14(10)13)36-16-12(6-33-38(29,30)31)34-20(17(16)37-21)28-8-27-15-18(24)25-7-26-19(15)28/h3-4,7-8,11-12,16-17,20H,2,5-6,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/q-1/p-2/t11-,12-,16-,17-,20-,21+/m1/s1","","2015-02-03","2016-02-26","[(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-5'-chloranyl-2'-ethoxy-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl phosphate","2016-03-02"],["O5U","(2R)-6-[[(1R,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C28 H34 N2 O7","O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CC4c3ccccc3CC4NC(=O)CCCCCN;NCCCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O)NC(=O)CCCCCN","InChI=1S/C28H34N2O7/c29-13-5-1-2-8-24(31)30-22-15-17-6-3-4-7-20(17)21(22)14-18-9-11-23-27(26(18)28(34)35)36-16-19(37-23)10-12-25(32)33/h3-4,6-7,9,11,19,21-22H,1-2,5,8,10,12-16,29H2,(H,30,31)(H,32,33)(H,34,35)/t19-,21-,22+/m1/s1","","2013-11-13","2014-09-05","(2R)-6-({(1R,2S)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["A2I","2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide","C21 H21 N3 O2 S","Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccccc3)c2)n1;Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C","InChI=1S/C21H21N3O2S/c1-15-11-16(2)23-21(22-15)27-14-20(25)24-18-8-6-7-17(12-18)13-26-19-9-4-3-5-10-19/h3-12H,13-14H2,1-2H3,(H,24,25)","","2017-11-15","2018-10-12","2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[3-(phenoxymethyl)phenyl]ethanamide","2018-10-17"],["O5V","2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide","C25 H26 Br N3 O4","CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(N4CC=C(c3ccccc3)C4)=O;CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(=O)N3CC=C(C3)c4ccccc4;CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br","InChI=1S/C25H26BrN3O4/c1-2-24(31)29-14-20(15-29)27-23(30)16-33-22-9-8-19(26)12-21(22)25(32)28-11-10-18(13-28)17-6-4-3-5-7-17/h3-10,12,20H,2,11,13-16H2,1H3,(H,27,30)","","2019-06-12","2024-09-27","2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide","2019-08-28"],["A2J","3-(trifluoromethyl)quinoxalin-2(1H)-one","C9 H5 F3 N2 O","c21c(cccc1)NC(=O)C(=N2)C(F)(F)F;FC(F)(F)C1=Nc2ccccc2NC1=O;c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F","InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)","","2017-07-05","2017-09-08","3-(trifluoromethyl)quinoxalin-2(1H)-one","2017-09-13"],["O5W","[(3~{S},5~{R})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate","C21 H28 N7 O13 P2","CC1=CN([CH]2C[CH](O)[CH](CO[P-](=O)(=O)O[CH]3C[CH](O[CH]3CO[P-](O)(=O)=O)n4cnc5c(N)[n+](C)cnc45)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P-](=O)(=O)OC3CC(OC3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O","InChI=1S/C21H27N7O13P2/c1-10-5-27(21(31)25-20(10)30)15-3-11(29)13(39-15)6-38-43(35,36)41-12-4-16(40-14(12)7-37-42(32,33)34)28-9-23-17-18(22)26(2)8-24-19(17)28/h5,8-9,11-16,22,29H,3-4,6-7H2,1-2H3,(H2,25,30,31,32,33,34)/q-2/p+1/t11-,12-,13+,14+,15+,16+/m0/s1","[(1~{R},3~{R})-1-(6-azanyl-1-methyl-purin-9-yl)-1-oxidanyl-5-phosphonooxy-pentan-3-yl] [(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate","2020-02-10","2021-03-13","1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},3~{S},5~{R})-5-(6-azanyl-1-methyl-purin-1-ium-9-yl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]oxolan-3-yl]oxy-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","2020-09-09"],["A2K","(8S,11R,13S,14S,16S,17S)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one","C35 H37 N O2","O=C(C1CC1)C6C(C=C)CC7C3C(=C2C(=CC(=O)CC2)CC3)C(c5ccc(c4cccnc4)cc5)CC67C;C[C]12C[CH](c3ccc(cc3)c4cccnc4)C5=C6CCC(=O)C=C6CC[CH]5[CH]1C[CH](C=C)[CH]2C(=O)C7CC7;CC12CC(C3=C4CCC(=O)C=C4CCC3C1CC(C2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7","InChI=1S/C35H37NO2/c1-3-21-18-31-29-14-12-25-17-27(37)13-15-28(25)32(29)30(19-35(31,2)33(21)34(38)24-10-11-24)23-8-6-22(7-9-23)26-5-4-16-36-20-26/h3-9,16-17,20-21,24,29-31,33H,1,10-15,18-19H2,2H3/t21-,29+,30-,31+,33-,35+/m1/s1","","2011-09-27","2014-09-05","(11alpha,14beta,16alpha,17alpha)-17-(cyclopropylcarbonyl)-16-ethenyl-11-[4-(pyridin-3-yl)phenyl]estra-4,9-dien-3-one",""],["O5X","6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine","C12 H17 N3","Cc1cc(C#CCCN(C)C)nc(N)c1;CN(C)CCC#Cc1cc(C)cc(N)n1;Cc1cc(nc(c1)N)C#CCCN(C)C","InChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14)","","2022-04-25","2022-07-08","6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine","2022-07-13"],["A2L","3'-O-METHYOXYETHYL-ADENOSINE 5'-MONOPHOSPHATE","C13 H20 N5 O8 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OCCOC;COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;COCCOC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O","InChI=1S/C13H20N5O8P/c1-23-2-3-24-10-7(4-25-27(20,21)22)26-13(9(10)19)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1","","2004-10-29","2011-06-04","3'-O-(2-methoxyethyl)adenosine 5'-(dihydrogen phosphate)",""],["O5Y","2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide","C27 H29 Br N4 O4","CCC(N5CC(NC(=O)Cn3cc(C(=O)N1Cc2c(CC1)c(ccc2)OC)c4cc(Br)ccc34)C5)=O;CCC(=O)N1CC(C1)NC(=O)Cn2cc(C(=O)N3CCc4c(C3)cccc4OC)c5cc(Br)ccc25;CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4","InChI=1S/C27H29BrN4O4/c1-3-26(34)32-13-19(14-32)29-25(33)16-31-15-22(21-11-18(28)7-8-23(21)31)27(35)30-10-9-20-17(12-30)5-4-6-24(20)36-2/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,29,33)","","2019-06-12","2024-09-27","2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide","2019-08-28"],["O5Z","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide","C19 H22 Br N3 O3","N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Br)cc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(o3)Br)N","InChI=1S/C19H22BrN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1","","2020-02-10","2021-02-12","(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide","2021-02-17"],["A2M","2'-O-methyladenosine 5'-(dihydrogen phosphate)","C11 H16 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OC)C3O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3c(N)ncnc23;COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O","InChI=1S/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1","","2002-07-25","2011-06-04","2'-O-methyladenosine 5'-(dihydrogen phosphate)",""],["A2N","[(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C17 H26 N6 O14 P2","O=C(NC1C(O)C(OC1O)COP(=O)(O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O)C;CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CC(=O)NC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1","2'-N-Acetyl ADP ribose","2010-11-16","2021-03-01","[(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["O60","decane-1,10-diyl disulfamate","C10 H24 N2 O6 S2","O=S(=O)(OCCCCCCCCCCOS(=O)(=O)N)N;N[S](=O)(=O)OCCCCCCCCCCO[S](N)(=O)=O;C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N","InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)","1,10-decanediol disulfamate","2009-07-20","2021-03-13","decane-1,10-diyl disulfamate",""],["A2O","N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide","C19 H22 N2 O3 S","O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccccc3;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccccc3)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3","InChI=1S/C19H22N2O3S/c1-2-12-21-18-10-9-17(13-16(18)8-11-19(21)22)20-25(23,24)14-15-6-4-3-5-7-15/h3-7,9-10,13,20H,2,8,11-12,14H2,1H3","","2013-06-28","2013-08-09","N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide","2013-08-14"],["O61","N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide","C27 H24 Cl N7 O3 S","Clc2cc(c(n1nnnc1)cc2)CCNC(=O)C(NC(=O)c4ccc3c(SCC(=O)N3)c4)Cc5ccccc5;Clc1ccc(n2cnnn2)c(CCNC(=O)[CH](Cc3ccccc3)NC(=O)c4ccc5NC(=O)CSc5c4)c1;c1ccc(cc1)CC(C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5","InChI=1S/C27H24ClN7O3S/c28-20-7-9-23(35-16-30-33-34-35)18(13-20)10-11-29-27(38)22(12-17-4-2-1-3-5-17)32-26(37)19-6-8-21-24(14-19)39-15-25(36)31-21/h1-9,13-14,16,22H,10-12,15H2,(H,29,38)(H,31,36)(H,32,37)/t22-/m0/s1","","2011-07-25","2012-04-06","N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide",""],["A2P","ADENOSINE-2'-5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OP(=O)(O)O)N","InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","adenosine 2',5'-bis(dihydrogen phosphate)",""],["O62","6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid","C30 H23 Cl2 N O4","O=C(O)c2cccc1cc(ccc12)c5ccc(OCc4c(onc4c3c(Cl)cccc3Cl)C(C)C)cc5;CC(C)c1onc(c1COc2ccc(cc2)c3ccc4c(cccc4C(O)=O)c3)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O","InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)","","2008-06-05","2011-06-04","6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid",""],["O64","2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide","C12 H11 Cl F3 N O2","FC(F)(F)c1cccc(C(=O)NC(C=O)CC)c1Cl;CC[CH](NC(=O)c1cccc(c1Cl)C(F)(F)F)C=O;CCC(C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F","InChI=1S/C12H11ClF3NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19)/t7-/m0/s1","","2010-09-20","2024-09-27","2-chloro-N-[(2S)-1-oxobutan-2-yl]-3-(trifluoromethyl)benzamide",""],["A2Q","cyclohex-2-en-1-one","C6 H8 O","O=C1C=CCCC1;O=C1CCCC=C1;C1CC=CC(=O)C1","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","cyclohex-2-enone","2013-02-21","2020-06-17","cyclohex-2-en-1-one","2014-05-14"],["A2R","[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C15 H24 N5 O17 P3","O=P(O)(O)OC3C(O)C(OC3n1c2ncnc(N)c2nc1)COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)OP(=O)(O)O)N","InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2007-05-24","2011-06-04","[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["O65","3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde","C10 H12 O4","Cc1c(CO)cc(cc1CO)C(O)=O;Cc1c(cc(cc1CO)C(=O)O)CO","InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14)","","2020-02-10","2024-09-27","3,5-bis(hydroxymethyl)-4-methyl-benzoic acid","2021-02-17"],["O66","3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid","C6 H8 N2 O3","OC(=O)CC[CH]1N=CNC1=O;C1=NC(C(=O)N1)CCC(=O)O","InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)/t4-/m1/s1","Imidazol-4-one-5-propionic acid","2023-08-22","2024-03-01","3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid","2024-03-06"],["A2T","N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE","C35 H48 N4 O","O=C(c1ccc(cc1)CCCCC)N(C2CCN(CCC(C)C)CC2)Cc4ccc(N(c3ccncc3)C)cc4;CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CCC(C)C)CC4;CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C","InChI=1S/C35H48N4O/c1-5-6-7-8-29-9-13-31(14-10-29)35(40)39(34-20-25-38(26-21-34)24-19-28(2)3)27-30-11-15-32(16-12-30)37(4)33-17-22-36-23-18-33/h9-18,22-23,28,34H,5-8,19-21,24-27H2,1-4H3","","2006-10-02","2011-06-04","N-[1-(3-methylbutyl)piperidin-4-yl]-N-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide",""],["A2U","S-Ethyl-CoA","C23 H40 N7 O16 P3 S","CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22+/m1/s1","","2023-07-17","2024-04-12","[[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-(2-ethylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","2024-04-17"],["O67","N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide","C19 H21 Br N4 O5","CCC(=O)N1CC(C1)NC(COc2ccc(Br)cc2NC(=O)c3cc(C)no3)=O;CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2NC(=O)c3onc(C)c3;CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br","InChI=1S/C19H21BrN4O5/c1-3-18(26)24-8-13(9-24)21-17(25)10-28-15-5-4-12(20)7-14(15)22-19(27)16-6-11(2)23-29-16/h4-7,13H,3,8-10H2,1-2H3,(H,21,25)(H,22,27)","","2019-06-12","2024-09-27","N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide","2019-08-28"],["O68","4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C10 H12 F N O S","CN(CCS)C(=O)c1ccc(F)cc1;CN(CCS)C(=O)c1ccc(cc1)F","InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3","","2020-02-11","2020-11-13","4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2020-11-18"],["A2V","1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","C20 H22 F2 N2 O3 S","c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3cc(F)c(C)c(F)c3)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F","InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3","AMF2beta","2017-05-15","2021-03-01","1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2017-11-15"],["A2W","3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole","C19 H15 F N4","Fc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4;c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4","InChI=1S/C19H15FN4/c20-17-8-6-15(7-9-17)19-16(12-23-11-10-21-14-23)13-24(22-19)18-4-2-1-3-5-18/h1-11,13-14H,12H2","","2017-08-09","2018-03-23","3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole","2018-03-28"],["O69","(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide","C35 H31 N5 O2","CNC(=O)C1CC(C1)n1c2c(cccc2nc1c1cncc2ccccc21)C(=O)NC(C)c1cc2ccccc2cc1;CNC(=O)[CH]1C[CH](C1)n2c(nc3cccc(C(=O)N[CH](C)c4ccc5ccccc5c4)c23)c6cncc7ccccc67;CC(c1ccc2ccccc2c1)NC(=O)c3cccc4c3n(c(n4)c5cncc6c5cccc6)C7CC(C7)C(=O)NC","InChI=1S/C35H31N5O2/c1-21(23-15-14-22-8-3-4-9-24(22)16-23)38-35(42)29-12-7-13-31-32(29)40(27-17-26(18-27)34(41)36-2)33(39-31)30-20-37-19-25-10-5-6-11-28(25)30/h3-16,19-21,26-27H,17-18H2,1-2H3,(H,36,41)(H,38,42)/t21-,26-,27+/m0/s1","","2022-04-25","2023-07-21","(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide","2023-07-26"],["A2X","2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide","C20 H19 N3 O S2","Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3ccccc3)cc2)n1;Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C","InChI=1S/C20H19N3OS2/c1-14-12-15(2)22-20(21-14)25-13-19(24)23-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,24)","","2017-11-15","2018-10-12","2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-(4-phenylsulfanylphenyl)ethanamide","2018-10-17"],["O6A","N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide","C19 H24 N4 O4 S","C2(CCN(S(c1ccc(CN)cc1)(=O)=O)CC2)NC(=O)c3cc(on3)C4CC4;NCc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4;c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4","InChI=1S/C19H24N4O4S/c20-12-13-1-5-16(6-2-13)28(25,26)23-9-7-15(8-10-23)21-19(24)17-11-18(27-22-17)14-3-4-14/h1-2,5-6,11,14-15H,3-4,7-10,12,20H2,(H,21,24)","","2019-06-12","2020-01-10","N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide","2020-01-15"],["A2Y","(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium","C18 H23 N2 O S","n2oc(c1sccc1)cc2C[NH2+]C45CC3CC(CC(C3)C4)C5;C([NH2+]C12CC3CC(CC(C3)C1)C2)c4cc(on4)c5sccc5;c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4","InChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2/p+1/t12-,13+,14-,18-","","2012-09-11","2013-01-04","(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium","2013-01-04"],["O6C","1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide","C22 H34 Cl N3 O3 S2","CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)C(C)(C)Oc2ccc(Cl)cc2;CC(C)(C(=O)N1CCC(CC1)C(=O)NCCSSCCN(C)C)Oc2ccc(cc2)Cl","InChI=1S/C22H34ClN3O3S2/c1-22(2,29-19-7-5-18(23)6-8-19)21(28)26-12-9-17(10-13-26)20(27)24-11-15-30-31-16-14-25(3)4/h5-8,17H,9-16H2,1-4H3,(H,24,27)","","2022-08-30","2024-09-27","1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide","2023-04-26"],["O6D","(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid","C28 H27 N3 O4","c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(OC)(c3ccccc3)c4ccccc4)C;COC([CH](Oc1nc(C)cc(n1)c2ccc(C)c(N)c2)C(O)=O)(c3ccccc3)c4ccccc4;Cc1ccc(cc1N)c2cc(nc(n2)OC(C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C","InChI=1S/C28H27N3O4/c1-18-14-15-20(17-23(18)29)24-16-19(2)30-27(31-24)35-25(26(32)33)28(34-3,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,29H2,1-3H3,(H,32,33)/t25-/m1/s1","","2019-06-12","2019-06-21","(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid","2019-06-26"],["A2Z","6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one","C12 H11 N O3","O=C1C=C(c3c(N1C)c2OCOc2cc3)C;CN1C(=O)C=C(C)c2ccc3OCOc3c12;CC1=CC(=O)N(c2c1ccc3c2OCO3)C","InChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3","","2010-06-29","2012-01-06","6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one",""],["O6E","3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H38 N4 O6","CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,13-15,19-20,35H,2,7,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1","","2020-02-13","2024-09-27","3-[2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2020-05-06"],["A30","O-ethyl-L-tyrosine","C11 H15 N O3","CCOc1ccc(cc1)CC(N)C(=O)O;CCOc1ccc(C[CH](N)C(O)=O)cc1;CCOc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1","","2021-11-04","2024-09-27","O-ethyl-L-tyrosine","2022-06-01"],["A31","N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide","C44 H76 N6 O8 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C35CC4CC(C3)CC(C4)C5;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4;C1C2CC3CC1CC(C2)(C3)C(=O)NCCCCCCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C44H76N6O8S/c51-38(13-6-5-12-37-41-36(32-59-37)49-43(55)50-41)46-18-10-20-56-22-24-58-25-23-57-21-11-19-47-40(53)15-9-14-39(52)45-16-7-3-1-2-4-8-17-48-42(54)44-29-33-26-34(30-44)28-35(27-33)31-44/h33-37,41H,1-32H2,(H,45,52)(H,46,51)(H,47,53)(H,48,54)(H2,49,50,55)/t33-,34+,35-,36-,37-,41-,44-/m0/s1","","2010-08-19","2011-06-04","N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide",""],["O6F","N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide","C26 H33 N3 O3 S","CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C;CCN(C(=O)c1nc(c-2n1CCc3c2cc(c(c3)OC)OC(C)C)c4cccs4)C(C)(C)C","InChI=1S/C26H33N3O3S/c1-8-29(26(4,5)6)25(30)24-27-22(21-10-9-13-33-21)23-18-15-20(32-16(2)3)19(31-7)14-17(18)11-12-28(23)24/h9-10,13-16H,8,11-12H2,1-7H3","","2023-01-25","2023-03-24","~{N}-~{tert}-butyl-~{N}-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide","2023-03-29"],["A32","(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE","C20 H29 N3 O10","[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCCN2CCOCC2)c3;OC[CH]1O[CH](Oc2cc(cc(c2)[N+]([O-])=O)C(=O)NCCCN3CCOCC3)[CH](O)[CH](O)[CH]1O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCOCC3","InChI=1S/C20H29N3O10/c24-11-15-16(25)17(26)18(27)20(33-15)32-14-9-12(8-13(10-14)23(29)30)19(28)21-2-1-3-22-4-6-31-7-5-22/h8-10,15-18,20,24-27H,1-7,11H2,(H,21,28)/t15-,16+,17+,18-,20+/m1/s1","BMSC-0010","2001-08-16","2020-06-17","3-(alpha-D-galactopyranosyloxy)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide",""],["O6G","N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide","C14 H17 N3 O2 S","c2(cc1c(C)c(C#N)nc1cc2)NS(CCCC)(=O)=O;CCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1;CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C","InChI=1S/C14H17N3O2S/c1-3-4-7-20(18,19)17-11-5-6-13-12(8-11)10(2)14(9-15)16-13/h5-6,8,16-17H,3-4,7H2,1-2H3","","2019-06-12","2020-03-27","N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide","2020-04-01"],["O6H","2,4,6-trimethyl-L-phenylalanine","C12 H17 N O2","Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1;Cc1cc(c(c(c1)C)CC(C(=O)O)N)C","InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1","(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal","2020-02-13","2024-09-27","(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid","2021-01-27"],["A33","2-(carboxymethyl)-D-aspartic acid","C6 H9 N O6","O=C(O)CC(N)(C(=O)O)CC(=O)O;NC(CC(O)=O)(CC(O)=O)C(O)=O;C(C(=O)O)C(CC(=O)O)(C(=O)O)N","InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)","","2007-10-25","2011-06-04","2-(carboxymethyl)-D-aspartic acid",""],["O6I","6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine","C12 H21 N3","Cc1cc(CCCCN(C)C)nc(N)c1;CN(C)CCCCc1cc(C)cc(N)n1;Cc1cc(nc(c1)N)CCCCN(C)C","InChI=1S/C12H21N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,4-7H2,1-3H3,(H2,13,14)","","2022-04-25","2022-07-08","6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine","2022-07-13"],["A34","N6-METHYL DEOXYADENOSINE 5'-MONOPHOSPHATE","C11 H16 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O;CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h12,18-19H","","1995-01-15","2009-08-25","2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)",""],["A35","2-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE","C11 H17 N6 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)NC)N)CC3O;CNc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;CNc1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1/C11H17N6O6P/c1-13-11-15-9(12)8-10(16-11)17(4-14-8)7-2-5(18)6(23-7)3-22-24(19,20)21/h4-7,18H,2-3H2,1H3,(H2,19,20,21)(H3,12,13,15,16)/t5-,6+,7+/m0/s1/f/h13,19-20H,12H2","","1992-04-15","2009-09-09","2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate)",""],["O6J","N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide","C15 H19 N3 O2 S","c1(cc2c(cc1)nc(c2C)C#N)NS(CCCCC)(=O)=O;CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1;CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C","InChI=1S/C15H19N3O2S/c1-3-4-5-8-21(19,20)18-12-6-7-14-13(9-12)11(2)15(10-16)17-14/h6-7,9,17-18H,3-5,8H2,1-2H3","","2019-06-12","2020-03-27","N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide","2020-04-01"],["O6K","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C31 H41 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NCc4ccccc4)O","InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1","(S,S,S)-13b; 13b-K; ketoamide inhibitor 13b (bound)","2020-02-17","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2020-03-04"],["A36","N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide","C13 H21 F N2 O2 S","Fc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC;CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1;CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F","InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3","","2012-08-24","2014-04-16","N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide","2013-09-04"],["A37","2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE","C13 H7 Cl3 N2 O3 S","Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(Cl)ccc3o2;Clc1ccc2oc(N[S](=O)(=O)c3cc(Cl)ccc3Cl)nc2c1;c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl","InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)","","2006-01-25","2011-06-04","2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide",""],["O6L","2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide","C20 H26 Cl2 N2 O3","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3;c1cc(ccc1OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25)","","2022-08-30","2024-09-27","2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["A38","8-OXY DEOXYADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C2Nc1c(ncnc1N2C3OC(C(O)C3)COP(=O)(O)O)N;Nc1ncnc2N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)Nc12;c1nc(c2c(n1)N(C(=O)N2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1","","1996-06-10","2011-06-04","2'-deoxy-8-oxoadenosine 5'-(dihydrogen phosphate)",""],["O6M","3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide","C17 H12 N4 O2 S","c1(cccc(c1)S(Nc2ccc(C)c3c(cnc23)C#N)(=O)=O)C#N;Cc1ccc(N[S](=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13;Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N","InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3","","2019-06-12","2019-09-13","3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide","2019-09-18"],["O6O","(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one","C21 H19 N O5","O=C1C=C(Oc2c(cccc21)c1ccc2OCCOc2c1)N1CCOCC1;O=C1C=C(Oc2c1cccc2c3ccc4OCCOc4c3)N5CCOCC5;c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4ccc5c(c4)OCCO5","InChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2","","2022-04-26","2023-01-13","(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one","2023-01-18"],["A39","2'-O-METHYL-ADENOSINE 5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OC)C3O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3c(N)ncnc23;COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O","InChI=1/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1/f/h18-19H,12H2","","1994-08-31","2009-01-07","2'-O-methyladenosine 5'-(dihydrogen phosphate)",""],["A3A","2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-PHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m0/s1","","2004-01-13","2011-06-04","2'-deoxy-5'-adenylic acid",""],["O6P","Doripenem","C15 H24 N4 O6 S2","C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C;C[CH](O)[CH]1[CH]2[CH](C)C(=C(N2C1=O)C(O)=O)S[CH]3CN[CH](CN[S](N)(=O)=O)C3;CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O","InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1","(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza\nbicyclo[3.2.0]hept-2-ene-2-carboxylic acid","2019-06-12","2020-06-17","(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid","2019-08-07"],["O6Q","5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","C9 H8 Cl2 N2 O3 S","O=C1CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1;Clc1ccc(CN2CC(=O)N[S]2(=O)=O)cc1Cl;c1cc(c(cc1CN2CC(=O)NS2(=O)=O)Cl)Cl","InChI=1S/C9H8Cl2N2O3S/c10-7-2-1-6(3-8(7)11)4-13-5-9(14)12-17(13,15)16/h1-3H,4-5H2,(H,12,14)","","2023-05-05","2023-06-09","5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","2023-06-14"],["A3B","D-VINYLGLYCINE","C4 H7 N O2","[O-]C(=O)C(C=C)[NH3+];[NH3+][CH](C=C)C([O-])=O;C=CC(C(=O)[O-])[NH3+]","InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1","2-AMMONIOBUT-3-ENOATE; 2-AMINO-3-BUTENOATE","2004-08-29","2020-05-26","(2R)-2-ammoniobut-3-enoate",""],["A3C","2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate","C19 H37 N O7 P2","O=P(O)(O)OP(=O)(O)OCCN(C)CCC1C(=C)CCC2C(CCCC12C)(C)C;CN(CCO[P](O)(=O)O[P](O)(O)=O)CC[CH]1C(=C)CC[CH]2C(C)(C)CCC[C]12C;CC1(CCCC2(C1CCC(=C)C2CCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C","InChI=1S/C19H37NO7P2/c1-15-7-8-17-18(2,3)10-6-11-19(17,4)16(15)9-12-20(5)13-14-26-29(24,25)27-28(21,22)23/h16-17H,1,6-14H2,2-5H3,(H,24,25)(H2,21,22,23)/t16-,17-,19+/m0/s1","13-aza-13,14-dihydrocopalyl diphosphate","2010-10-22","2021-03-13","2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate",""],["O6R","3-[(4-fluorophenyl)methyl]-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one","C20 H16 F N5 O3","CN1NC=C(C1=O)C(=O)c2ccc3N=NN(Cc4ccc(F)cc4)C(=O)c3c2C;Cc1c(ccc2c1C(=O)N(N=N2)Cc3ccc(cc3)F)C(=O)C4=CNN(C4=O)C","InChI=1S/C20H16FN5O3/c1-11-14(18(27)15-9-22-25(2)19(15)28)7-8-16-17(11)20(29)26(24-23-16)10-12-3-5-13(21)6-4-12/h3-9,22H,10H2,1-2H3","","2023-01-26","2023-12-15","3-[(4-fluorophenyl)methyl]-5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one","2023-12-20"],["A3D","3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE","C22 H28 N6 O14 P2","CC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1","","2003-07-17","2012-01-05","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["O6S","(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate","C24 H19 N3 O5 S","C(CCN2C(COc1ccccc12)=O)(=O)OCC5=Nc3c(c(cs3)c4ccccc4)C(N5)=O;O=C(CCN1C(=O)COc2ccccc12)OCC3=Nc4scc(c5ccccc5)c4C(=O)N3;c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O","InChI=1S/C24H19N3O5S/c28-20-13-31-18-9-5-4-8-17(18)27(20)11-10-21(29)32-12-19-25-23(30)22-16(14-33-24(22)26-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,26,30)","","2019-06-14","2019-11-01","(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate","2019-11-06"],["A3E","5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine","C21 H26 N6 O","CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4CCOCC4)cc3;CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4","InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)","","2017-08-10","2017-10-20","5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine","2017-10-25"],["O6T","biotC4-1 cofactor","C29 H37 Fe N7 O6 S","CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67;CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC6C7C(CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C","InChI=1S/C29H41N7O6S.Fe/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20;/h10-11,13,18-20H,7-9,12,14H2,1-6H3,(H7,30,31,32,33,34,35,36,37,38,39,40,41,42);/q;+4/p-4/t18-,19-,20-;/m0./s1","","2020-02-17","2020-06-26","","2020-07-01"],["A3F","3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol","C20 H20 N2 O4","Oc3cccc(c2cnc(N)c(c1cc(OC)c(OC)c(OC)c1)c2)c3;COc1cc(cc(OC)c1OC)c2cc(cnc2N)c3cccc(O)c3;COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O","InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)","","2010-05-12","2011-06-04","3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol",""],["O6U","Nirogacestat","C27 H41 F2 N5 O","CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C;CCCC(C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C)NC2CCc3cc(cc(c3C2)F)F","InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1","","2023-08-23","2024-11-11","(2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide","2024-08-14"],["O6V","(1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate","C24 H19 N3 O4 S2","CC(OC(=O)CC2Sc1ccccc1NC2=O)C=3NC(c5c(N=3)scc5c4ccccc4)=O;C[CH](OC(=O)C[CH]1Sc2ccccc2NC1=O)C3=Nc4scc(c5ccccc5)c4C(=O)N3;CC(C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)CC4C(=O)Nc5ccccc5S4","InChI=1S/C24H19N3O4S2/c1-13(31-19(28)11-18-22(29)25-16-9-5-6-10-17(16)33-18)21-26-23(30)20-15(12-32-24(20)27-21)14-7-3-2-4-8-14/h2-10,12-13,18H,11H2,1H3,(H,25,29)(H,26,27,30)/t13-,18-/m0/s1","","2019-06-14","2019-11-01","(1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate","2019-11-06"],["A3G","3'-deoxy-3'-(glycylamino)adenosine","C12 H17 N7 O4","O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)CN;NCC(=O)N[CH]1[CH](O)[CH](O[CH]1CO)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)NC(=O)CN)O)N","InChI=1S/C12H17N7O4/c13-1-6(21)18-7-5(2-20)23-12(9(7)22)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,20,22H,1-2,13H2,(H,18,21)(H2,14,15,16)/t5-,7-,9-,12-/m1/s1","","2010-11-18","2011-06-04","3'-deoxy-3'-(glycylamino)adenosine",""],["O6W","4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide","C13 H13 F3 N2 O2 S","FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1;c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F","InChI=1S/C13H13F3N2O2S/c14-13(15,16)5-1-7-21(19,20)18-12-3-2-11-9-17-6-4-10(11)8-12/h2-4,6,8-9,18H,1,5,7H2","","2020-02-17","2020-04-03","4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide","2020-04-08"],["A3H","4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile","C19 H16 N6","Cn1ccc(Nc2cc(c3cccc(C)c3)c4c([nH]cc4C#N)n2)n1;Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C","InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)","","2017-08-10","2017-10-20","4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile","2017-10-25"],["O6X","~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide","C22 H22 F3 N5 O5","COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c4cccc(n4)[CH](O)C(F)(F)F;COc1cc2c(cc1NC(=O)c3cccc(n3)C(C(F)(F)F)O)cn(n2)CC(=O)N4CCOCC4","InChI=1S/C22H22F3N5O5/c1-34-18-10-16-13(11-30(28-16)12-19(31)29-5-7-35-8-6-29)9-17(18)27-21(33)15-4-2-3-14(26-15)20(32)22(23,24)25/h2-4,9-11,20,32H,5-8,12H2,1H3,(H,27,33)/t20-/m1/s1","","2022-08-30","2023-09-01","~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide","2023-09-06"],["A3I","(4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione","C30 H43 N O5","CC[CH]1C[C]2(C)C=C(C)[CH](C)C[C]23NC(=O)C(=C3O)C(=O)[C]4(C)[CH](C[CH]1O)C=C[CH]5[CH](O)CCC[CH]45;CCC1CC2(C=C(C(CC23C(=C(C(=O)C4(C5CCCC(C5C=CC4CC1O)O)C)C(=O)N3)O)C)C)C","InChI=1S/C30H43NO5/c1-6-18-15-28(4)13-16(2)17(3)14-30(28)26(35)24(27(36)31-30)25(34)29(5)19(12-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,13,17-23,32-33,35H,6-9,12,14-15H2,1-5H3,(H,31,36)/t17-,18+,19-,20-,21+,22-,23+,28+,29+,30+/m0/s1","","2022-03-15","2023-02-03","","2023-02-08"],["O6Y","2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile","C20 H20 N2 O3","c2(Oc1cc(C)c(cc1)C#N)ccc(cc2)CC(=O)N3CCOCC3;Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)ccc1C#N;Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3","InChI=1S/C20H20N2O3/c1-15-12-19(7-4-17(15)14-21)25-18-5-2-16(3-6-18)13-20(23)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3","","2019-06-14","2020-05-01","2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile","2020-05-06"],["A3J","2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile","C16 H17 F3 N4 O","N#Cc1c(c2nc(cc2nc1C(F)(F)F)CC)N3CCC(C)(C3)O;CCc1[nH]c2c(c1)nc(c(C#N)c2N3CC[C](C)(O)C3)C(F)(F)F;CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CCC(C3)(C)O","InChI=1S/C16H17F3N4O/c1-3-9-6-11-12(21-9)13(23-5-4-15(2,24)8-23)10(7-20)14(22-11)16(17,18)19/h6,21,24H,3-5,8H2,1-2H3/t15-/m0/s1","","2017-07-05","2017-09-08","2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile","2017-09-13"],["A3K","6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile","C15 H12 N4","Cc1cccc(c1)c2cc(N)nc3[nH]cc(C#N)c23;Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N","InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)","","2017-08-10","2017-10-20","6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile","2017-10-25"],["O6Z","~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide","C11 H15 N3 O2 S","CCCC[S](=O)(=O)Nc1ccc2[nH]ncc2c1;CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2","InChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)","","2020-02-17","2020-04-03","~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide","2020-04-08"],["A3M","2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE","C9 H18 N2 O","O=C(N1CCCC1)C(N)C(C)C;CC(C)[CH](N)C(=O)N1CCCC1;CC(C)C(C(=O)N1CCCC1)N","InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1","","2002-10-21","2011-06-04","(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-amine",""],["O71","(4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid","C25 H24 N4 O4","c4(CC)c(C#CC(c1cc3c(c(c1)c2ccc(cc2)CC(O)=O)OCO3)C)c(nc(n4)N)N;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2)c4ccc(CC(O)=O)cc4;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O","InChI=1S/C25H24N4O4/c1-3-20-18(24(26)29-25(27)28-20)9-4-14(2)17-11-19(23-21(12-17)32-13-33-23)16-7-5-15(6-8-16)10-22(30)31/h5-8,11-12,14H,3,10,13H2,1-2H3,(H,30,31)(H4,26,27,28,29)/t14-/m1/s1","","2019-06-17","2019-10-18","(4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid","2019-10-23"],["O72","1,7-naphthyridin-8-amine","C8 H7 N3","Nc1nccc2cccnc12;c1cc2ccnc(c2nc1)N","InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)","","2020-02-17","2020-09-25","1,7-naphthyridin-8-amine","2020-09-30"],["A3N","5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine","C13 H16 N6 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CNCC#C)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CNCC#C)[CH](O)[CH]3O;C#CCNCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H16N6O3/c1-2-3-15-4-7-9(20)10(21)13(22-7)19-6-18-8-11(14)16-5-17-12(8)19/h1,5-7,9-10,13,15,20-21H,3-4H2,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1","","2012-01-05","2012-03-09","5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine",""],["A3O","methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate","C34 H34 N6 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)NCc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3;Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)CNC(=O)C5CC(CCC5=O)(C)C(=O)OC","InChI=1S/C34H34N6O5/c1-21-16-25(9-10-27(21)39-33-36-15-12-28(40-33)24-8-5-14-35-20-24)38-30(42)23-7-4-6-22(17-23)19-37-31(43)26-18-34(2,32(44)45-3)13-11-29(26)41/h4-10,12,14-17,20,26H,11,13,18-19H2,1-3H3,(H,37,43)(H,38,42)(H,36,39,40)/t26-,34-/m1/s1","","2023-07-17","2024-09-27","methyl (1~{R},3~{R})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate","2024-07-24"],["O73","5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione","C21 H24 N4 O5","[O-][N+](=O)c3ccc(OCc1c(n(c2c1C(=O)C(=CC2=O)NCCCCN)C)C)cc3;Cn1c(C)c(COc2ccc(cc2)[N+]([O-])=O)c3C(=O)C(=CC(=O)c13)NCCCCN;Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-]","InChI=1S/C21H24N4O5/c1-13-16(12-30-15-7-5-14(6-8-15)25(28)29)19-20(24(13)2)18(26)11-17(21(19)27)23-10-4-3-9-22/h5-8,11,23H,3-4,9-10,12,22H2,1-2H3","","2010-08-06","2011-06-04","5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione",""],["A3P","ADENOSINE-3'-5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N","InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-09-27","adenosine 3',5'-bis(dihydrogen phosphate)",""],["O74","6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one","C20 H14 Cl N3 O","Clc1ccccc1NC4=NC(=C2C=CC=CC2=O)Nc3ccccc34;Clc1ccccc1NC2=NC(Nc3ccccc23)=C4C=CC=CC4=O;c1ccc2c(c1)C(=NC(=C3C=CC=CC3=O)N2)Nc4ccccc4Cl","InChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,22H,(H,23,24)/b20-14-","","2013-05-17","2013-09-13","(6Z)-6-{4-[(2-chlorophenyl)amino]quinazolin-2(1H)-ylidene}cyclohexa-2,4-dien-1-one","2013-09-18"],["A3Q","4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile","C14 H9 N3 O","Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23;c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N","InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)","","2017-08-10","2017-10-20","4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile","2017-10-25"],["O75","N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide","C27 H28 F3 N5 O","N#Cc3nc(c2cc(C(=O)N(Cc1ccccc1)CCN(C)C)cc(c2)C(F)(F)F)cc(n3)CCC;CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3;CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3","InChI=1S/C27H28F3N5O/c1-4-8-23-16-24(33-25(17-31)32-23)20-13-21(15-22(14-20)27(28,29)30)26(36)35(12-11-34(2)3)18-19-9-6-5-7-10-19/h5-7,9-10,13-16H,4,8,11-12,18H2,1-3H3","","2010-07-22","2024-09-27","N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide",""],["O76","ethyl 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-4-oxidanylidene-3-phenyl-quinazoline-2-carboxylate","C23 H20 N4 O5","CCOC(=O)C1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=CNN(C)C4=O;CCOC(=O)C1=Nc2ccc(c(c2C(=O)N1c3ccccc3)C)C(=O)C4=CNN(C4=O)C","InChI=1S/C23H20N4O5/c1-4-32-23(31)20-25-17-11-10-15(19(28)16-12-24-26(3)21(16)29)13(2)18(17)22(30)27(20)14-8-6-5-7-9-14/h5-12,24H,4H2,1-3H3","","2023-01-26","2023-12-15","ethyl 5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-4-oxidanylidene-3-phenyl-quinazoline-2-carboxylate","2023-12-20"],["A3R"," Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol","C15 H24 N6 O11 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4C[CH](O)CN4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4CC(CN4)O)O)O)N","InChI=1S/C15H24N6O11P2/c16-13-10-14(19-5-18-13)21(6-20-10)15-12(24)11(23)9(31-15)4-30-34(27,28)32-33(25,26)29-3-7-1-8(22)2-17-7/h5-9,11-12,15,17,22-24H,1-4H2,(H,25,26)(H,27,28)(H2,16,18,19)/t7-,8+,9+,11+,12+,15+/m0/s1","","2018-03-23","2018-11-23","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},4~{R})-4-oxidanylpyrrolidin-2-yl]methyl hydrogen phosphate","2018-11-28"],["A3S","SERINE-3'-AMINOADENOSINE","C13 H19 N7 O5","O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)CO;N[CH](CO)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(CO)N)O)N","InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1","N'-L-SERYL-3'-AMINO-(3'-DEOXY)-ADENOSINE","2004-06-24","2020-06-17","3'-deoxy-3'-(L-serylamino)adenosine",""],["O77","N-[(3S)-3-amino-3-carboxypropyl]-L-histidine","C10 H16 N4 O4","C(O)(C(NCCC(C(=O)O)N)Cc1cncn1)=O;N[CH](CCN[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O;c1c([nH]cn1)CC(C(=O)O)NCCC(C(=O)O)N","InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1","","2019-06-17","2019-10-25","N-[(3S)-3-amino-3-carboxypropyl]-L-histidine","2019-10-30"],["O78","(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid","C7 H9 N O2","C1CC(=N)C=C(C1)C(=O)O;OC(=O)C1=CC(=N)CCC1;C1CC(=CC(=N)C1)C(=O)O","InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-","","2019-12-11","2020-12-11","(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid","2020-12-16"],["A3T","3'-deoxy-3'-(L-threonylamino)adenosine","C14 H21 N7 O5","O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)C(O)C;C[CH](O)[CH](N)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO)n2cnc3c(N)ncnc23;CC(C(C(=O)NC1C(OC(C1O)n2cnc3c2ncnc3N)CO)N)O","InChI=1S/C14H21N7O5/c1-5(23)7(15)13(25)20-8-6(2-22)26-14(10(8)24)21-4-19-9-11(16)17-3-18-12(9)21/h3-8,10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,8-,10-,14-/m1/s1","","2010-11-18","2011-06-04","3'-deoxy-3'-(L-threonylamino)adenosine",""],["A3U","4-acetamido-L-phenylalanine","C11 H14 N2 O3","O=C(C)Nc1ccc(cc1)CC(N)C(=O)O;CC(=O)Nc1ccc(C[CH](N)C(O)=O)cc1;CC(=O)Nc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1","","2021-11-04","2024-09-27","4-acetamido-L-phenylalanine","2022-06-01"],["O7A","N-methyl-L-allothreonine","C5 H11 N O3","CNC(C(=O)O)C(O)C;CN[CH]([CH](C)O)C(O)=O;CC(C(C(=O)O)NC)O","InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4-/m0/s1","","2019-06-17","2020-05-08","N-methyl-L-allothreonine","2020-05-13"],["A3V","(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol","C16 H25 N O2","O(c1cc(ccc1)C(O)CCN)CC2CCCCC2;NCC[CH](O)c1cccc(OCC2CCCCC2)c1;c1cc(cc(c1)OCC2CCCCC2)C(CCN)O","InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1","","2014-11-12","2015-04-10","(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol","2015-04-15"],["O7B","(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one","C19 H24 N2 O","O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5;c1cc2c3c(c1)C(=O)N(CC3CCC2)C4CN5CCC4CC5","InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1","Palonosetron; Aloxi","2020-02-17","2020-06-17","(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one","2020-03-04"],["O7C","1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one","C23 H22 N2 O4","CN1C(=O)N(Cc2ccccc2)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C23H22N2O4/c1-14-16(22(28)20-18(26)9-6-10-19(20)27)11-12-17-21(14)25(23(29)24(17)2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10,13H2,1-2H3","","2023-01-26","2023-12-15","1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one","2023-12-20"],["A3W","5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine","C17 H20 F3 N7 O2","Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F;c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F","InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)","PQR309","2017-08-10","2021-03-01","5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine","2017-09-06"],["A3X","N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone","C10 H13 N3 O2 S","COc1cc(ccc1O)C(C)=NNC(N)=S;CC(=NNC(=S)N)c1ccc(c(c1)OC)O","InChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+","1-[(E)-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea","2021-11-24","2022-08-22","1-[(~{E})-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea","2022-03-16"],["O7D","4-methoxy-N-methyl-L-tryptophan","C13 H16 N2 O3","CNC(Cc1cnc2cccc(c12)OC)C(=O)O;CN[CH](Cc1c[nH]c2cccc(OC)c12)C(O)=O;CNC(Cc1c[nH]c2c1c(ccc2)OC)C(=O)O","InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1","","2019-06-17","2024-09-27","4-methoxy-N-methyl-L-tryptophan","2020-05-13"],["A3Y","6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","C19 H26 F3 N5 O2","N3(CCN(c2cc(C(F)(F)F)c(c(N1CC(CCC1)CO)n2)C#N)CC3)CCO;OCCN1CCN(CC1)c2cc(c(C#N)c(n2)N3CCC[CH](CO)C3)C(F)(F)F;c1c(c(c(nc1N2CCN(CC2)CCO)N3CCCC(C3)CO)C#N)C(F)(F)F","InChI=1S/C19H26F3N5O2/c20-19(21,22)16-10-17(26-6-4-25(5-7-26)8-9-28)24-18(15(16)11-23)27-3-1-2-14(12-27)13-29/h10,14,28-29H,1-9,12-13H2/t14-/m0/s1","","2017-07-05","2017-09-08","6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","2017-09-13"],["O7E","6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)","C12 H17 N2 O11 P","O=C(OCC)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O;CCOC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CCOC(=O)C1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C12H17N2O11P/c1-2-23-11(18)5-3-7(15)13-12(19)14(5)10-9(17)8(16)6(25-10)4-24-26(20,21)22/h3,6,8-10,16-17H,2,4H2,1H3,(H,13,15,19)(H2,20,21,22)/t6-,8-,9-,10-/m1/s1","","2013-10-31","2013-11-29","6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)","2013-12-04"],["O7F","4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol","C16 H19 N3 O6 S2","O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1;Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(O)c(O)c3;c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O)N","InChI=1S/C16H19N3O6S2/c17-12-2-1-3-13(10-12)26(22,23)18-6-8-19(9-7-18)27(24,25)14-4-5-15(20)16(21)11-14/h1-5,10-11,20-21H,6-9,17H2","","2022-04-27","2023-04-07","4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol","2023-04-12"],["A3Z","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate","C15 H27 N2 O8 P S","CC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C15H27N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h4-5,13,20H,6-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/b5-4+/t13-/m0/s1","","2023-07-17","2024-09-27","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate","2023-11-22"],["A40","N2-METHYL 2'-DEOXYADENOSINE 5'-MONOPHOSPHATE","C11 H17 N6 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)NC)N)CC3O;CNc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;CNc1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C11H17N6O6P/c1-13-11-15-9(12)8-10(16-11)17(4-14-8)7-2-5(18)6(23-7)3-22-24(19,20)21/h4-7,18H,2-3H2,1H3,(H2,19,20,21)(H3,12,13,15,16)/t5-,6+,7+/m0/s1","","1995-01-15","2011-06-04","2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate)",""],["O7G","N,N-dimethyl-L-valine","C7 H15 N O2","N(C)(C)C(C(=O)O)C(C)C;CC(C)[CH](N(C)C)C(O)=O;CC(C)C(C(=O)O)N(C)C","InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1","","2019-06-17","2024-09-27","N,N-dimethyl-L-valine","2020-05-13"],["O7I","(4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid","C22 H22 N2 O3","O=C(O)c1ccc(cc1C1CCCC1)c1ncnc2cc(ccc21)OCC;CCOc1ccc2c(c1)ncnc2c3ccc(C(O)=O)c(c3)C4CCCC4;CCOc1ccc2c(c1)ncnc2c3ccc(c(c3)C4CCCC4)C(=O)O","InChI=1S/C22H22N2O3/c1-2-27-16-8-10-18-20(12-16)23-13-24-21(18)15-7-9-17(22(25)26)19(11-15)14-5-3-4-6-14/h7-14H,2-6H2,1H3,(H,25,26)","","2023-08-17","2023-12-08","(4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid","2023-12-13"],["A41","5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID","C14 H13 N O4 S","O=S(=O)(Nc1ccc(cc1C(=O)O)C)c2ccccc2;Cc1ccc(N[S](=O)(=O)c2ccccc2)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2","InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)","","2005-03-04","2011-06-04","5-methyl-2-[(phenylsulfonyl)amino]benzoic acid",""],["A42","1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA","C14 H12 Cl N5 O3","N#Cc1ncc(nc1)NC(=O)Nc2cc(Cl)c(OC)cc2OC;COc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl;COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC","InChI=1S/C14H12ClN5O3/c1-22-11-4-12(23-2)10(3-9(11)15)19-14(21)20-13-7-17-8(5-16)6-18-13/h3-4,6-7H,1-2H3,(H2,18,19,20,21)","","2007-04-25","2011-06-04","1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea",""],["O7J","N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid","C15 H22 N4 O8","OC(C(CCNC(C(O)=O)Cc1cncn1)NC(CCC(O)=O)C(O)=O)=O;OC(=O)CC[CH](N[CH](CCN[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O)C(O)=O;c1c([nH]cn1)CC(C(=O)O)NCCC(C(=O)O)NC(CCC(=O)O)C(=O)O","InChI=1S/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/t9-,10-,11-/m0/s1","","2019-06-17","2019-10-25","N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid","2019-10-30"],["A43","3'-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE","C10 H15 N6 O5 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3N;N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)N)N","InChI=1S/C10H15N6O5P/c11-5-1-7(21-6(5)2-20-22(17,18)19)16-4-15-8-9(12)13-3-14-10(8)16/h3-7H,1-2,11H2,(H2,12,13,14)(H2,17,18,19)/t5-,6+,7+/m0/s1","","1998-01-28","2011-06-04","3'-amino-2',3'-dideoxyadenosine 5'-(dihydrogen phosphate)",""],["O7K","pyrazinoquinolinone","C25 H23 Cl F2 N4 O3","CCC(=O)N1C[CH]2N(C[CH]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O;CCC(=O)N1CC2C(=O)N(c3cnc4c(c3N2CC1C)cc(c(c4F)c5c(cccc5F)O)Cl)C","InChI=1S/C25H23ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h5-9,12,17,33H,4,10-11H2,1-3H3/t12-,17-/m1/s1","(2R,4aR)-3-acryloyl-11-chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1',2':4,5]pyrazino[2,3-c]quinolin-5(6H)-one.","2020-02-18","2024-09-27","","2020-02-26"],["A44","2'-O-METHYOXYETHYL-ADENOSINE 5'-MONOPHOSPHATE","C13 H20 N5 O8 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OCCOC)C3O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3c(N)ncnc23;COCCOC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O","InChI=1S/C13H20N5O8P/c1-23-2-3-24-10-9(19)7(4-25-27(20,21)22)26-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1","","1999-05-12","2013-01-10","2'-O-(2-methoxyethyl)adenosine 5'-(dihydrogen phosphate)",""],["O7L","5-ethanoylthiophene-2-carbonitrile","C7 H5 N O S","CC(=O)c1sc(cc1)C#N;CC(=O)c1ccc(s1)C#N","InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3","","2023-01-26","2023-04-07","5-ethanoylthiophene-2-carbonitrile","2023-04-12"],["A45","3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID","C11 H8 N6 O3","O=C(O)c1cc(ccc1)n2nc3nc(nc(O)c3n2)N;Nc1nc(O)c2nn(nc2n1)c3cccc(c3)C(O)=O;c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O","InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)","","2003-12-19","2011-06-04","3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid",""],["O7M","6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)","C11 H15 N2 O11 P","O=C(OC)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O;COC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;COC(=O)C1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H15N2O11P/c1-22-10(17)4-2-6(14)12-11(18)13(4)9-8(16)7(15)5(24-9)3-23-25(19,20)21/h2,5,7-9,15-16H,3H2,1H3,(H,12,14,18)(H2,19,20,21)/t5-,7-,8-,9-/m1/s1","","2013-10-30","2013-11-29","6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)","2013-12-04"],["A46","5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide","C17 H15 Cl N2 O3","Clc1cc2c(cc1)nc(c2)C(=O)Nc3ccc(cc3)C(O)CO;OC[CH](O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2)cc1;c1cc(ccc1C(CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl","InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1","","2007-10-18","2011-06-04","5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide",""],["O7N","1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C30 H50 N10 O5","NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC1=O)NC(N)=N)c2;c1cc2cc(c1)CNC(=O)CNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)CCCCN)CCCCN)NC(=N)N","InChI=1S/C30H50N10O5/c31-13-4-1-10-22-27(43)35-15-6-3-12-23(40-30(33)34)28(44)37-19-26(42)36-18-21-9-7-8-20(16-21)17-25(41)38-24(29(45)39-22)11-2-5-14-32/h7-9,16,22-24H,1-6,10-15,17-19,31-32H2,(H,35,43)(H,36,42)(H,37,44)(H,38,41)(H,39,45)(H4,33,34,40)/t22-,23+,24-/m0/s1","","2020-02-18","2020-07-03","1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2020-07-08"],["O7O","2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid","C16 H16 Cl N3 O2 S","OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1;c1cc2c(c(c1)Nc3cc(nc(n3)SCC(=O)O)Cl)CCCC2","InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)","","2022-08-30","2023-07-07","2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid","2023-07-12"],["A47","N6-METHOXY ADENOSINE 5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2ncnc1NOC)CC3O;CONc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CONc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H16N5O7P/c1-21-15-10-9-11(13-4-12-10)16(5-14-9)8-2-6(17)7(23-8)3-22-24(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,15)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2000-02-16","2011-06-04","2'-deoxy-N-methoxyadenosine 5'-(dihydrogen phosphate)",""],["O7P","2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile","C21 H21 N3 O3","Cc1c(C#N)ccc(c1)Oc3ccc(CC(N2CC(N(C)CC2)=O)=O)cc3;CN1CCN(CC1=O)C(=O)Cc2ccc(Oc3ccc(C#N)c(C)c3)cc2;Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C","InChI=1S/C21H21N3O3/c1-15-11-19(8-5-17(15)13-22)27-18-6-3-16(4-7-18)12-20(25)24-10-9-23(2)21(26)14-24/h3-8,11H,9-10,12,14H2,1-2H3","","2019-06-17","2020-05-15","2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile","2020-05-20"],["A48","4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL","C26 H29 B F3 N O","FC(F)(F)CN(c1ccc(O)cc1)B(c2c(cc(cc2C)C)C)c3c(cc(cc3C)C)C;Cc1cc(C)c(B(N(CC(F)(F)F)c2ccc(O)cc2)c3c(C)cc(C)cc3C)c(C)c1;B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O","InChI=1S/C26H29BF3NO/c1-16-11-18(3)24(19(4)12-16)27(25-20(5)13-17(2)14-21(25)6)31(15-26(28,29)30)22-7-9-23(32)10-8-22/h7-14,32H,15H2,1-6H3","(N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE","2007-06-06","2021-03-13","4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol",""],["O7Q","biotC5-1 cofactor","C30 H39 Fe N7 O6 S","CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCCC[CH]6SC[CH]7NC(=O)N[CH]67;CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCCC6C7C(CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C","InChI=1S/C30H43N7O6S.Fe/c1-28(2)23(39)36-29(3,4)25(41)32-17-12-11-16(14-18(17)33-26(42)30(5,6)37-24(28)40)22(38)31-13-9-7-8-10-20-21-19(15-44-20)34-27(43)35-21;/h11-12,14,19-21H,7-10,13,15H2,1-6H3,(H7,31,32,33,34,35,36,37,38,39,40,41,42,43);/q;+4/p-4/t19-,20-,21-;/m0./s1","","2020-02-18","2020-06-26","","2020-07-01"],["A49","N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide","C23 H30 F3 N3 O3","FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C3CCN(CC2(C(=O)N)CC2)CC3)C4CC4)C;C[C](O)(c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(N)=O)C(F)(F)F;CC(c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O","InChI=1S/C23H30F3N3O3/c1-21(32,23(24,25)26)16-4-2-15(3-5-16)19(30)29(17-6-7-17)18-8-12-28(13-9-18)14-22(10-11-22)20(27)31/h2-5,17-18,32H,6-14H2,1H3,(H2,27,31)/t21-/m0/s1","","2009-01-12","2011-06-04","N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",""],["A4A","[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one","C16 H9 N O3","O=C3Nc4c2c(c1OCOc1cc23)c5c(c4)cccc5;O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24;c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5","InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)","Aristolactam II","2011-08-03","2020-06-17","[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one",""],["O7R","1-(2,3-dihydro-1-benzofuran-5-yl)ethanone","C10 H10 O2","CC(=O)c1ccc2OCCc2c1;CC(=O)c1ccc2c(c1)CCO2","InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3","","2023-01-26","2023-04-07","1-(2,3-dihydro-1-benzofuran-5-yl)ethanone","2023-04-12"],["O7S","(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione","C30 H40 F N3 O6","C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C)n3;CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC=C)C(C)C)F)O","InChI=1S/C30H40FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-23,25,28,35H,1,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1","","2019-06-17","2020-06-12","(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione","2020-06-17"],["A4B","[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine","C14 H14 Cl N O","COc1ccccc1c2ccc(CN)cc2Cl;COc1ccccc1c2ccc(cc2Cl)CN","InChI=1S/C14H14ClNO/c1-17-14-5-3-2-4-12(14)11-7-6-10(9-16)8-13(11)15/h2-8H,9,16H2,1H3","","2017-08-14","2018-02-23","[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine","2018-02-28"],["O7T","deltarasin","C40 H37 N5 O","C1CC(CCN1)[CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8;c1ccc(cc1)Cn2c3ccccc3nc2c4ccc(cc4)OCC(C5CCNCC5)n6c7ccccc7nc6c8ccccc8","InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1","2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole","2020-02-18","2022-06-03","2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole","2022-06-08"],["A4C","9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE}","C42 H50 N8 O2","O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6;CN(C)CCNC(=O)c1cccc2c(NCCCCCCNc3c4ccccc4nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12;CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C","InChI=1S/C42H50N8O2/c1-49(2)27-25-45-41(51)33-19-13-17-31-37(29-15-7-9-21-35(29)47-39(31)33)43-23-11-5-6-12-24-44-38-30-16-8-10-22-36(30)48-40-32(38)18-14-20-34(40)42(52)46-26-28-50(3)4/h7-10,13-22H,5-6,11-12,23-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,51)(H,46,52)","","2006-04-17","2011-06-04","9,9'-(hexane-1,6-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}",""],["O7U","(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide","C3 H6 N3 O2 P","O=C1NC=CP(=O)(N)N1;N[P]1(=O)NC(=O)NC=C1;C1=CP(=O)(NC(=O)N1)N","InChI=1S/C3H6N3O2P/c4-9(8)2-1-5-3(7)6-9/h1-2H,(H4,4,5,6,7,8)/t9-/m1/s1","","2010-09-10","2011-06-10","(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide",""],["A4D","5'-thioadenosine","C10 H13 N5 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CS)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CS)O)O)N","InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(1-19)18-10/h2-4,6-7,10,16-17,19H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1","","2009-08-19","2011-06-04","5'-thioadenosine",""],["A4E","1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone","C30 H43 F N5 O3","C[CH]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[CH](C[NH2+]1)CN5CCOC[CH]5C;CC1CN(C(C[NH2+]1)CN2CCOCC2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C","InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1","","2017-08-14","2018-06-22","1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone","2018-06-27"],["O7V","(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","C38 H44 F N5 O8","C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)F)C;C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=O)c5coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]3C)n5;CC1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4)F)O)C","InChI=1S/C38H44FN5O8/c1-23-8-6-14-40-33(46)13-12-24(2)35(25(3)21-51-38(49)43-32-17-26-9-4-5-10-27(26)20-41-32)52-37(48)31-11-7-15-44(31)36(47)30-22-50-34(42-30)19-28(39)18-29(45)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28-29,31,35,45H,7,11,14-15,18-19,21H2,1-3H3,(H,40,46)(H,41,43,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,29-,31-,35+/m1/s1","","2019-06-17","2020-06-12","(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","2020-06-17"],["O7W","~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide","C25 H28 N4 O2","CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1;CCc1ccc(cc1)CN(C)C(=O)CCc2nnc(o2)CCc3c[nH]c4c3cccc4","InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3","","2020-02-18","2022-06-03","~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide","2022-06-08"],["A4F","5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid","C20 H13 N O5","OC(c1cc(N)ccc1C2=C4C=CC(C=C4Oc3c2ccc(c3)O)=O)=O;Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24;c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O","InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)","5-aminofluorescein","2015-05-20","2020-06-17","5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid","2015-11-04"],["O7X","(1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide","C25 H21 N O9 S2","O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1;Oc1cccc(c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4)cc2;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O)O","InChI=1S/C25H21NO9S2/c27-17-2-1-3-19(11-17)36(32,33)18-7-4-15(5-8-18)14-26-37(34,35)25-13-24(31)23(30)12-20(25)16-6-9-21(28)22(29)10-16/h1-13,26-31H,14H2","","2022-04-27","2023-04-07","(1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide","2023-04-12"],["A4G","[(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol","C13 H18 N4 O","n2c1ncc(C)c1c(nc2)N3CCCC(CO)C3;Cc1c[nH]c2ncnc(N3CCC[CH](CO)C3)c12;Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)CO","InChI=1S/C13H18N4O/c1-9-5-14-12-11(9)13(16-8-15-12)17-4-2-3-10(6-17)7-18/h5,8,10,18H,2-4,6-7H2,1H3,(H,14,15,16)/t10-/m1/s1","","2017-07-05","2017-09-08","[(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol","2017-09-13"],["O7Y","(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","C38 H43 N5 O9","C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)=O)C;C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=O)c5coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]3C)n5;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4)O)C","InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,31-,35+/m1/s1","","2019-06-17","2020-06-12","(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","2020-06-17"],["A4H","(2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid","C17 H22 O4","CC1=CC(=O)CC(C)(C)[C]1(O)C=CC(=CC(O)=O)C2CC2;CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C2CC2)O)(C)C","InChI=1S/C17H22O4/c1-11-8-14(18)10-16(2,3)17(11,21)7-6-13(9-15(19)20)12-4-5-12/h6-9,12,21H,4-5,10H2,1-3H3,(H,19,20)/b7-6+,13-9+/t17-/m1/s1","","2017-08-15","2018-06-22","(2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid","2018-06-27"],["O7Z","2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid","C17 H18 Cl2 O4","CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3;CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3","InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)","indanyloxyacetic acid-94; IAA-94","2020-02-19","2020-06-17","2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid","2020-03-11"],["A4I","(1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate","C56 H87 N O16","CC(CO)(CO)C(=O)OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=O)C1)CCC2C;CO[CH]1C[CH](CC[CH]1OC(=O)C(C)(CO)CO)C[CH](C)[CH]2CC(=O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC;CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC","InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1","Temsirolimus","2021-11-05","2022-01-28","(1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate","2022-02-02"],["A4J","6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","C16 H19 F3 N4 O3","N1(CC(C(O)C1)O)c2nc(c(c(c2)C(F)(F)F)C#N)N3CCC(C)(C3)O;C[C]1(O)CCN(C1)c2nc(cc(c2C#N)C(F)(F)F)N3C[CH](O)[CH](O)C3;CC1(CCN(C1)c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O","InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1","","2017-07-05","2017-09-08","6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","2017-09-13"],["O80","N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine","C17 H17 F3 N2","c12n(c3c(c1cccc2)cc(cc3)CN(C)C)CC(F)(F)F;CN(C)Cc1ccc2n(CC(F)(F)F)c3ccccc3c2c1;CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F","InChI=1S/C17H17F3N2/c1-21(2)10-12-7-8-16-14(9-12)13-5-3-4-6-15(13)22(16)11-17(18,19)20/h3-9H,10-11H2,1-2H3","","2016-05-16","2016-06-17","N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine","2016-06-22"],["A4K","(~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid","C15 H15 F3 O4","CC1=CC(=O)CC(C)(C)[C]1(O)C#CC(=CC(O)=O)C(F)(F)F;CC1=CC(=O)CC(C1(C#CC(=CC(=O)O)C(F)(F)F)O)(C)C","InChI=1S/C15H15F3O4/c1-9-6-11(19)8-13(2,3)14(9,22)5-4-10(7-12(20)21)15(16,17)18/h6-7,22H,8H2,1-3H3,(H,20,21)/b10-7+/t14-/m1/s1","","2017-08-15","2018-06-22","(~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid","2018-06-27"],["O81","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H19 O27 P7","OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)=O)(O)=O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1","","2019-06-18","2020-04-24","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","2020-04-29"],["A4L","9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM","C46 H73 Cl N11 O7","O=CC(NNC(C(=O)NC(C(=O)C(=O)C(NC(=O)C(NC(=O)C)CCCCNc2c1cc(OC)ccc1[nH+]c3c2ccc(Cl)c3)CCCCN)CCCCN)CCCCN)CCCCN;COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[CH](NC(C)=O)C(=O)NC(CCCCN)C(=O)C(=O)C(CCCCN)NC(=O)C(CCCCN)NNC(CCCCN)C=O)c2c1;CC(=O)NC(CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)NC(CCCCN)C(=O)C(=O)C(CCCCN)NC(=O)C(CCCCN)NNC(CCCCN)C=O","InChI=1S/C46H72ClN11O7/c1-30(60)53-39(16-7-12-26-52-42-34-20-18-31(47)27-41(34)54-36-21-19-33(65-2)28-35(36)42)45(63)55-37(14-4-9-23-49)43(61)44(62)38(15-5-10-24-50)56-46(64)40(17-6-11-25-51)58-57-32(29-59)13-3-8-22-48/h18-21,27-29,32,37-40,57-58H,3-17,22-26,48-51H2,1-2H3,(H,52,54)(H,53,60)(H,55,63)(H,56,64)/p+1/t32?,37?,38?,39-,40?/m1/s1","","2004-10-26","2011-06-04","N~2~-acetyl-N-[8-amino-4-({6-amino-2-[2-(5-amino-1-formylpentyl)hydrazino]hexanoyl}amino)-1-(4-aminobutyl)-2,3-dioxooctyl]-N~6~-(6-chloro-2-methoxyacridinium-9-yl)-D-lysinamide",""],["O82","1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine","C16 H17 F N2","c12n(c3c(c1cccc2)cc(cc3)CNC)CCF;CNCc1ccc2n(CCF)c3ccccc3c2c1;CNCc1ccc2c(c1)c3ccccc3n2CCF","InChI=1S/C16H17FN2/c1-18-11-12-6-7-16-14(10-12)13-4-2-3-5-15(13)19(16)9-8-17/h2-7,10,18H,8-9,11H2,1H3","","2016-05-16","2016-06-17","1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine","2016-06-22"],["A4M","[3-(6-amino-2-methyl-9H-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1H-pyrazol-3-yl}methanone","C26 H38 N10 O","c21c(nc(nc1n(cn2)C6CN(C(c5cc(CN4CCN(C3CCCCCC3)CC4)n(C)n5)=O)C6)C)N;Cn1nc(cc1CN2CCN(CC2)C3CCCCCC3)C(=O)N4CC(C4)n5cnc6c(N)nc(C)nc56;Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N","InChI=1S/C26H38N10O/c1-18-29-24(27)23-25(30-18)36(17-28-23)21-15-35(16-21)26(37)22-13-20(32(2)31-22)14-33-9-11-34(12-10-33)19-7-5-3-4-6-8-19/h13,17,19,21H,3-12,14-16H2,1-2H3,(H2,27,29,30)","","2017-07-06","2017-07-28","[3-(6-amino-2-methyl-9H-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1H-pyrazol-3-yl}methanone","2017-08-02"],["O83","1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine","C16 H16 F2 N2","c12n(c3c(c1cccc2)cc(cc3)CNC)CC(F)F;CNCc1ccc2n(CC(F)F)c3ccccc3c2c1;CNCc1ccc2c(c1)c3ccccc3n2CC(F)F","InChI=1S/C16H16F2N2/c1-19-9-11-6-7-15-13(8-11)12-4-2-3-5-14(12)20(15)10-16(17)18/h2-8,16,19H,9-10H2,1H3","","2016-05-16","2016-06-17","1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine","2016-06-22"],["O84","[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid","C19 H22 N2 O11 P2","O[P](O)(=O)CC=CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O;c1ccc(cc1)C2(OCC3C(O2)CC(O3)N4C=C(C(=O)NC4=O)C=CCP(=O)(O)O)P(=O)(O)O","InChI=1S/C19H22N2O11P2/c22-17-12(5-4-8-33(24,25)26)10-21(18(23)20-17)16-9-14-15(31-16)11-30-19(32-14,34(27,28)29)13-6-2-1-3-7-13/h1-7,10,14-16H,8-9,11H2,(H,20,22,23)(H2,24,25,26)(H2,27,28,29)/b5-4+/t14-,15-,16-,19-/m1/s1","","2018-03-23","2018-07-06","[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid","2018-07-11"],["A4N","[3-chloranyl-4-(2-methylphenyl)phenyl]methanamine","C14 H14 Cl N","Cc1ccccc1c2ccc(CN)cc2Cl;Cc1ccccc1c2ccc(cc2Cl)CN","InChI=1S/C14H14ClN/c1-10-4-2-3-5-12(10)13-7-6-11(9-16)8-14(13)15/h2-8H,9,16H2,1H3","","2017-08-16","2018-02-23","[3-chloranyl-4-(2-methylphenyl)phenyl]methanamine","2018-02-28"],["O85","3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C10 H12 F N O S","CN(CCS)C(=O)c1cccc(F)c1;CN(CCS)C(=O)c1cccc(c1)F","InChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3","","2020-02-19","2020-11-13","3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2020-11-18"],["A4O","N-(2,4-dihydroxybenzylidene)-thiosemicarbazone","C8 H9 N3 O2 S","NC(=S)NN=Cc1ccc(O)cc1O;c1cc(c(cc1O)O)C=NNC(=S)N","InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+","1-[(E)-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea","2021-11-24","2022-08-22","1-[(~{E})-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea","2022-03-16"],["A4P","6-(ADENOSINE TETRAPHOSPHATE-METHYL)-7,8-DIHYDROPTERIN","C17 H24 N10 O17 P4","O=C2NC(=NC=1NCC(=NC=12)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)N;NC1=NC2=C(N=C(CN2)CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(=O)N1;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N","InChI=1S/C17H24N10O17P4/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(41-16)3-40-46(33,34)43-48(37,38)44-47(35,36)42-45(31,32)39-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h4-5,7,10-11,16,28-29H,1-3H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,18,21,22)(H4,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1","","2000-05-05","2011-06-04","5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["O86","2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid","C20 H18 Cl N3 O3 S","OC(=O)CSc1nc(Cl)cc(Nc2cccc(OCCc3ccccc3)c2)n1;c1ccc(cc1)CCOc2cccc(c2)Nc3cc(nc(n3)SCC(=O)O)Cl","InChI=1S/C20H18ClN3O3S/c21-17-12-18(24-20(23-17)28-13-19(25)26)22-15-7-4-8-16(11-15)27-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,25,26)(H,22,23,24)","","2022-08-30","2023-07-07","2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid","2023-07-12"],["A4Q","[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine","C15 H16 Cl N","CCc1ccccc1c2ccc(CN)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CN","InChI=1S/C15H16ClN/c1-2-12-5-3-4-6-13(12)14-8-7-11(10-17)9-15(14)16/h3-9H,2,10,17H2,1H3","","2017-08-16","2018-02-23","[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine","2018-02-28"],["O87","4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one","C21 H18 F3 N3 O2","O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F;FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34;c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F","InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)","","2023-08-17","2023-11-03","4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one","2023-11-08"],["A4R","N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide","C26 H39 N5 O S","Cc1nnc(n1C2CC3CCC(C2)N3CCC(NC(=O)C4CCCC4)c5cccs5)C(C)C;CC(C)c1nnc(C)n1[CH]2C[CH]3CC[CH](C2)N3CC[CH](NC(=O)C4CCCC4)c5sccc5;Cc1nnc(n1C2CC3CCC(C2)N3CCC(c4cccs4)NC(=O)C5CCCC5)C(C)C","InChI=1S/C26H39N5OS/c1-17(2)25-29-28-18(3)31(25)22-15-20-10-11-21(16-22)30(20)13-12-23(24-9-6-14-33-24)27-26(32)19-7-4-5-8-19/h6,9,14,17,19-23H,4-5,7-8,10-13,15-16H2,1-3H3,(H,27,32)/t20-,21+,22-,23-/m0/s1","","2018-09-19","2018-10-19","N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide","2018-10-24"],["O88","N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide","C19 H17 N O8 S2","Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1;Oc1ccc(cc1O)[S](=O)(=O)NCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3;c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O","InChI=1S/C19H17NO8S2/c21-16-7-5-14(9-18(16)23)29(25,26)13-3-1-12(2-4-13)11-20-30(27,28)15-6-8-17(22)19(24)10-15/h1-10,20-24H,11H2","","2022-04-27","2023-04-07","N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide","2023-04-12"],["A4S","(2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate","C16 H25 N O7 P2","O=P(O)(O)OP(=O)(O)OC/C=C(C)CC/C=C(/CNc1ccccc1)C;CC(CCC=C(C)CNc1ccccc1)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNc1ccccc1","InChI=1S/C16H25NO7P2/c1-14(11-12-23-26(21,22)24-25(18,19)20)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3,(H,21,22)(H2,18,19,20)/b14-11+,15-8+","anilinogeranyl diphosphate","2014-11-04","2020-06-17","(2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate","2015-05-06"],["O89","4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline","C18 H20 N3 S","CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C;Cc1ccc2c(c1)sc([n+]2C)N=Cc3ccc(cc3)N(C)C","InChI=1S/C18H20N3S/c1-13-5-10-16-17(11-13)22-18(21(16)4)19-12-14-6-8-15(9-7-14)20(2)3/h5-12H,1-4H3/q+1","","2022-08-30","2023-01-13","4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline","2023-01-18"],["A4T","[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine","C13 H11 Cl F N","NCc1ccc(c(Cl)c1)c2ccccc2F;c1ccc(c(c1)c2ccc(cc2Cl)CN)F","InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2","","2017-08-16","2018-02-23","[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine","2018-02-28"],["O8A","N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide","C17 H14 F3 N3 O2 S","FC(F)(F)Oc4cc3nc(n(c1sc(cc1)C(=O)NC2CC2)c3cc4)C;Cc1nc2cc(OC(F)(F)F)ccc2n1c3sc(cc3)C(=O)NC4CC4;Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F","InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)","","2010-08-10","2011-06-04","N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide",""],["A4U","N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide","C39 H45 N7 O3","CN1CCN(CC1)Cc2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C7CC7;Cc1c2cc(cc1C(=O)Nc3cc(cc(c3)C4CC4)CN5CCN(CC5)C)OCCCCCCCNC(=O)c6ccc7ncc(n7n6)C#C2","InChI=1S/C39H45N7O3/c1-27-30-10-11-33-25-41-37-13-12-36(43-46(33)37)39(48)40-14-6-4-3-5-7-19-49-34(23-30)24-35(27)38(47)42-32-21-28(20-31(22-32)29-8-9-29)26-45-17-15-44(2)16-18-45/h12-13,20-25,29H,3-9,14-19,26H2,1-2H3,(H,40,48)(H,42,47)","","2023-05-10","2023-09-15","","2023-09-20"],["O8B","2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide","C22 H20 N4 O2","O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3)C)COc4ccccc4C;Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2;Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C","InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)","","2011-01-06","2012-01-13","2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide",""],["O8C","4-methoxybenzenecarbonitrile","C8 H7 N O","COc1ccc(cc1)C#N;COc1ccc(cc1)C#N","InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3","","2023-01-26","2023-04-07","4-methoxybenzenecarbonitrile","2023-04-12"],["A4V","3-benzyladenine","C12 H12 N5","n2c[n+](c1c(ncn1)c2N)Cc3ccccc3;Nc1nc[n+](Cc2ccccc2)c3[nH]cnc13;c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N","InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15)/p+1","","2013-06-04","2014-09-05","6-amino-3-benzyl-9H-purin-3-ium","2013-06-19"],["A4W","~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide","C9 H9 Cl F N O S","Fc1c(Cl)cccc1NC(=O)CCS;c1cc(c(c(c1)Cl)F)NC(=O)CCS","InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13)","","2017-08-16","2024-09-27","~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide","2017-11-01"],["O8D","(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone","C30 H39 N3 O7","C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)=O)O;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C)n3;CC1=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC=C)C(C)C)O","InChI=1S/C30H39N3O7/c1-5-8-21-11-12-26(36)31-13-6-9-20(4)15-22(34)16-23(35)17-27-32-24(18-39-27)29(37)33-14-7-10-25(33)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-22,25,28,34H,1,7-8,10,13-14,16-17H2,2-4H3,(H,31,36)/b9-6+,12-11+,20-15+/t21-,22-,25-,28-/m1/s1","","2019-06-18","2020-06-12","(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone","2020-06-17"],["O8F","(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide","C25 H21 N O10 S2","O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1;Oc1ccc(cc1O)c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S](=O)(=O)c4ccc(O)c(O)c4;c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(c(c3)O)O)O)O)S(=O)(=O)c4ccc(c(c4)O)O","InChI=1S/C25H21NO10S2/c27-19-7-3-15(9-21(19)29)18-11-23(31)24(32)12-25(18)38(35,36)26-13-14-1-4-16(5-2-14)37(33,34)17-6-8-20(28)22(30)10-17/h1-12,26-32H,13H2","","2022-04-27","2023-04-07","(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide","2023-04-12"],["A4X","4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide","C27 H39 F2 N5 O S","c1(C(C)C)n(c(C)nn1)C2CC5CCC(C2)N5CCC(NC(C3CCC(F)(F)CC3)=O)c4ccsc4;CC(C)c1nnc(C)n1[CH]2C[CH]3CC[CH](C2)N3CC[CH](NC(=O)C4CCC(F)(F)CC4)c5cscc5;Cc1nnc(n1C2CC3CCC(C2)N3CCC(c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C","InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)23-14-21-4-5-22(15-23)33(21)12-8-24(20-9-13-36-16-20)30-26(35)19-6-10-27(28,29)11-7-19/h9,13,16-17,19,21-24H,4-8,10-12,14-15H2,1-3H3,(H,30,35)/t21-,22+,23-,24-/m0/s1","","2018-09-19","2018-10-19","4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide","2018-10-24"],["A4Y","(2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid","C17 H28 N4 O11 P2 S","C(CC3C(N2Cc1cnc(C)nc1NC2(C(O)(C(O)(C(O)=O)C)C)S3)C)OP(O)(=O)OP(O)(O)=O;C[CH]1[CH](CCO[P](O)(=O)O[P](O)(O)=O)S[C]2(Nc3nc(C)ncc3CN12)[C](C)(O)[C](C)(O)C(O)=O;Cc1ncc2c(n1)NC3(N(C2)C(C(S3)CCOP(=O)(O)OP(=O)(O)O)C)C(C)(C(C)(C(=O)O)O)O","InChI=1S/C17H28N4O11P2S/c1-9-12(5-6-31-34(29,30)32-33(26,27)28)35-17(16(4,25)15(3,24)14(22)23)20-13-11(8-21(9)17)7-18-10(2)19-13/h7,9,12,24-25H,5-6,8H2,1-4H3,(H,22,23)(H,29,30)(H,18,19,20)(H2,26,27,28)/t9-,12+,15+,16-,17-/m0/s1","","2017-07-06","2018-07-06","(2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid","2018-07-11"],["O8G","1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine","C13 H14 N6 O2 S","[N-]=[N+]=NCC(=O)N3CCC(c1onc(n1)c2sccc2)CC3;[N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3;c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]","InChI=1S/C13H14N6O2S/c14-18-15-8-11(20)19-5-3-9(4-6-19)13-16-12(17-21-13)10-2-1-7-22-10/h1-2,7,9H,3-6,8H2","2-azido-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone","2010-08-05","2021-03-13","2-azido-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone",""],["O8H","4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide","C22 H22 I N7 O4 S2","Ic1ccc(cc1)S(=O)(=O)NCc2nnn(c2)CC(=O)N5CCC(c3onc(n3)c4sccc4)CC5;Ic1ccc(cc1)[S](=O)(=O)NCc2cn(CC(=O)N3CCC(CC3)c4onc(n4)c5sccc5)nn2;c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I","InChI=1S/C22H22IN7O4S2/c23-16-3-5-18(6-4-16)36(32,33)24-12-17-13-30(28-26-17)14-20(31)29-9-7-15(8-10-29)22-25-21(27-34-22)19-2-1-11-35-19/h1-6,11,13,15,24H,7-10,12,14H2","","2010-08-05","2011-06-04","4-iodo-N-{[1-(2-oxo-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide",""],["A4Z","2-(4-butoxyphenyl)-N-hydroxyacetamide","C12 H17 N O3","C(C(=O)NO)c1ccc(cc1)OCCCC;CCCCOc1ccc(CC(=O)NO)cc1;CCCCOc1ccc(cc1)CC(=O)NO","InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)","","2015-06-02","2016-08-05","2-(4-butoxyphenyl)-N-hydroxyacetamide","2016-08-10"],["A50","2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol","C26 H31 N O3 S","c3c(S(CCO)(=O)=O)ccc(c2cc(CCc1ccccn1)c(cc2)CCCCC)c3;CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)[S](=O)(=O)CCO;CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO","InChI=1S/C26H31NO3S/c1-2-3-4-7-21-9-10-23(20-24(21)11-14-25-8-5-6-17-27-25)22-12-15-26(16-13-22)31(29,30)19-18-28/h5-6,8-10,12-13,15-17,20,28H,2-4,7,11,14,18-19H2,1H3","","2018-09-21","2019-02-22","2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol","2019-02-27"],["O8I","ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate","C7 H11 N O4","CCOC(=O)C(=NO)C(=O)CC;CCC(=O)C(=NO)C(=O)OCC","InChI=1S/C7H11NO4/c1-3-5(9)6(8-11)7(10)12-4-2/h11H,3-4H2,1-2H3/b8-6-","ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate","2022-08-30","2023-02-24","ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate","2023-03-01"],["A51","(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one","C11 H11 N O2","O=C/2OCCC2=CNc1ccccc1;O=C1OCCC1=CNc2ccccc2;c1ccc(cc1)NC=C2CCOC2=O","InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2/b9-8+","","2007-06-28","2011-06-04","(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one",""],["O8J","(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone","C28 H37 N3 O7","C2(=CC(CC(Cc1nc(co1)C(N3C(C(=O)OC(C(C=CC(NCC=C2)=O)C)C(C)C)CCC3)=O)=O)O)C;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)C)O)C","InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,23-,26-/m1/s1","","2019-06-18","2020-06-12","(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone","2020-06-17"],["A52","3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine","C20 H23 B N6 O9 P","CCOc1cccc2[CH](CN)O[B-]3(O[CH]4[CH](CO[P]([O-])([O-])=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12;[B-]12(c3c(cccc3OCC)C(O1)CN)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]","InChI=1S/C20H25BN6O9P/c1-2-31-11-5-3-4-10-12(6-22)34-21(14(10)11)35-16-13(7-32-37(28,29)30)33-20(17(16)36-21)27-9-26-15-18(23)24-8-25-19(15)27/h3-5,8-9,12-13,16-17,20H,2,6-7,22H2,1H3,(H2,23,24,25)(H2,28,29,30)/q-1/p-2/t12-,13-,16-,17-,20-,21+/m1/s1","","2015-02-03","2016-02-26","[(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-ethoxy-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl phosphate","2016-03-02"],["O8K","(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one","C17 H28 O3","O=C1CCCCC=CC(OC)C(O)C(C=C(CC1)C)C;CO[CH]1C=CCCCCC(=O)CCC(=C[CH](C)[CH]1O)C;CC1C=C(CCC(=O)CCCCC=CC(C1O)OC)C","InChI=1S/C17H28O3/c1-13-10-11-15(18)8-6-4-5-7-9-16(20-3)17(19)14(2)12-13/h7,9,12,14,16-17,19H,4-6,8,10-11H2,1-3H3/b9-7+,13-12-/t14-,16+,17+/m1/s1","","2010-08-12","2011-06-04","(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one",""],["O8L","(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide","C18 H18 Cl N3 O3","Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1;C[CH](C(=O)Nc1cnccc1C)c2cc(Cl)cc(O[CH]3CC(=O)N3)c2;Cc1ccncc1NC(=O)C(C)c2cc(cc(c2)Cl)OC3CC(=O)N3","InChI=1S/C18H18ClN3O3/c1-10-3-4-20-9-15(10)21-18(24)11(2)12-5-13(19)7-14(6-12)25-17-8-16(23)22-17/h3-7,9,11,17H,8H2,1-2H3,(H,21,24)(H,22,23)/t11-,17+/m0/s1","","2023-08-17","2023-11-03","(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["A53","5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE","C29 H25 N5 O2","O=C3C(=Cc1cccn1)/c2cc(ccc2N3)c6cc(OCC(N)Cc5c4ccccc4nc5)cnc6;N[CH](COc1cncc(c1)c2ccc3NC(=O)C(=Cc4[nH]ccc4)c3c2)Cc5c[nH]c6ccccc56;c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5c(c4)C(=Cc6ccc[nH]6)C(=O)N5)N","InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1","","2006-04-05","2011-06-04","(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one",""],["O8M","2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide","C14 H21 N7 O4","O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O;CN(C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23)CC(N)=O;Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CC(=O)N)O)O)N","InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1","5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine","2008-07-31","2020-06-17","2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide",""],["A54","2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile","C16 H15 Cl N2 O","NCC[CH](Oc1cc(Cl)ccc1C#N)c2ccccc2;c1ccc(cc1)C(CCN)Oc2cc(ccc2C#N)Cl","InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1","AR-C141954","2010-12-19","2020-06-17","2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile",""],["O8N","octacosan-1-ol","C28 H58 O","CCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CCCCCCCCCCCCCCCCCCCCCCCCCCCCO","InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3","","2016-11-14","2017-06-30","octacosan-1-ol","2017-07-05"],["A55","N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE","C15 H14 F2 N4 O2","O=C(NCCC2N=C(N)c1c(F)ccc(F)c1N2)c3ccoc3;NC1=N[CH](CCNC(=O)c2cocc2)Nc3c(F)ccc(F)c13;c1cc(c2c(c1F)C(=NC(N2)CCNC(=O)c3ccoc3)N)F","InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)/t11-/m1/s1","","2005-12-05","2011-06-04","N-{2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl}furan-3-carboxamide",""],["A56","6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE","C13 H10 Br N5","Brc3c(c1nc(nc(n1)N)N)cc2ccccc2c3;Nc1nc(N)nc(n1)c2cc3ccccc3cc2Br;c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br","InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)","","2007-06-27","2011-06-04","6-(3-bromonaphthalen-2-yl)-1,3,5-triazine-2,4-diamine",""],["O8O","(10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione","C25 H19 N O10 S2","Oc1cc(ccc1O)S(=O)(=O)c1ccc(cc1)CN1c2cc(O)c(O)cc2c2cc(O)c(O)cc2S1(=O)=O;Oc1ccc(cc1O)[S](=O)(=O)c2ccc(CN3c4cc(O)c(O)cc4c5cc(O)c(O)cc5[S]3(=O)=O)cc2;c1cc(ccc1CN2c3cc(c(cc3-c4cc(c(cc4S2(=O)=O)O)O)O)O)S(=O)(=O)c5ccc(c(c5)O)O","InChI=1S/C25H19NO10S2/c27-19-6-5-15(7-20(19)28)37(33,34)14-3-1-13(2-4-14)12-26-18-10-23(31)21(29)8-16(18)17-9-22(30)24(32)11-25(17)38(26,35)36/h1-11,27-32H,12H2","","2022-04-27","2023-04-07","(10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione","2023-04-12"],["O8P","(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate","C34 H40 Br N5 O9","C3(CC(Cc1nc(co1)C(N4C(C(=O)OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=CC(=C3)C)=O)C)CCC4)=O)=O)O;C[CH](COC(=O)Nc1ccnc(Br)c1)[CH]2OC(=O)[CH]3CCCN3C(=O)c4coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]2C)n4;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4ccnc(c4)Br)O)C","InChI=1S/C34H40BrN5O9/c1-20-6-4-11-37-29(43)9-8-21(2)31(22(3)18-48-34(46)38-23-10-12-36-28(35)15-23)49-33(45)27-7-5-13-40(27)32(44)26-19-47-30(39-26)17-25(42)16-24(41)14-20/h4,6,8-10,12,14-15,19,21-22,24,27,31,41H,5,7,11,13,16-18H2,1-3H3,(H,37,43)(H,36,38,46)/b6-4+,9-8+,20-14+/t21-,22-,24-,27-,31+/m1/s1","","2019-06-18","2020-06-12","(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate","2020-06-17"],["A57","1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium","C17 H26 N3","CC(C)c1cc(C)cc([n+]1CCc2cncn2)C(C)C;CC(C)c1cc(C)cc(C(C)C)[n+]1CCc2[nH]cnc2;Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C","InChI=1S/C17H26N3/c1-12(2)16-8-14(5)9-17(13(3)4)20(16)7-6-15-10-18-11-19-15/h8-13H,6-7H2,1-5H3,(H,18,19)/q+1","","2017-07-06","2018-05-25","1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium","2018-05-30"],["O8Q","5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C36 H41 Cl N6 O3","Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NCCc4ccc(Cl)cc4)c5ccccc5;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N","InChI=1S/C36H41ClN6O3/c37-29-18-13-26(14-19-29)21-22-39-36(46)32(20-15-25-7-3-1-4-8-25)42-34(44)28-16-11-27(12-17-28)23-40-35(45)31-24-41-43(33(31)38)30-9-5-2-6-10-30/h2,5-6,9-14,16-19,24-25,32H,1,3-4,7-8,15,20-23,38H2,(H,39,46)(H,40,45)(H,42,44)/t32-/m0/s1","","2020-02-24","2020-02-28","5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-04"],["A58","4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID","C25 H27 N3 O2","O=C(O)c5ccc(c2nnc3c1ccc(cc1Cc23)CNC4CCC(C)CC4)cc5;C[CH]1CC[CH](CC1)NCc2ccc3c(Cc4c3[nH]nc4c5ccc(cc5)C(O)=O)c2;CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O","InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20+","","2007-01-31","2011-06-04","4-(6-{[(cis-4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid",""],["O8R","2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate","C7 H11 N O5","COCCOC(=O)C(=NO)C(C)=O;CC(=O)C(=NO)C(=O)OCCOC","InChI=1S/C7H11NO5/c1-5(9)6(8-11)7(10)13-4-3-12-2/h11H,3-4H2,1-2H3/b8-6-","2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate","2022-08-30","2023-02-24","2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate","2023-03-01"],["A59","2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol","C26 H29 N O3 S","c3c(S(CCO)(=O)=O)ccc(c2cc([C@H]=Cc1ccccn1)c(cc2)CCCCC)c3;CCCCCc1ccc(cc1C=Cc2ccccn2)c3ccc(cc3)[S](=O)(=O)CCO;CCCCCc1ccc(cc1C=Cc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO","InChI=1S/C26H29NO3S/c1-2-3-4-7-21-9-10-23(20-24(21)11-14-25-8-5-6-17-27-25)22-12-15-26(16-13-22)31(29,30)19-18-28/h5-6,8-17,20,28H,2-4,7,18-19H2,1H3/b14-11-","","2018-09-21","2019-02-22","2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol","2019-02-27"],["A5A","'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE","C13 H19 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C;C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1","","2003-01-08","2011-06-04","5'-O-(L-alanylsulfamoyl)adenosine",""],["O8S","(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate","C36 H41 F3 N4 O9","C2(=CC(CC(Cc1nc(co1)C(N4C(C(=O)OC(C(C=CC(NCC=C2)=O)C)C(C)COC(=O)Nc3ccc(C(F)(F)F)cc3)CCC4)=O)=O)O)C;C[CH](COC(=O)Nc1ccc(cc1)C(F)(F)F)[CH]2OC(=O)[CH]3CCCN3C(=O)c4coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]2C)n4;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)C","InChI=1S/C36H41F3N4O9/c1-21-6-4-14-40-30(46)13-8-22(2)32(23(3)19-51-35(49)41-25-11-9-24(10-12-25)36(37,38)39)52-34(48)29-7-5-15-43(29)33(47)28-20-50-31(42-28)18-27(45)17-26(44)16-21/h4,6,8-13,16,20,22-23,26,29,32,44H,5,7,14-15,17-19H2,1-3H3,(H,40,46)(H,41,49)/b6-4+,13-8+,21-16+/t22-,23-,26-,29-,32+/m1/s1","","2019-06-18","2020-06-12","(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate","2020-06-17"],["O8T","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C34 H44 N6 O3","Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NC4CCCCC4)c5ccccc5;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC4CCCCC4)C(=O)NC5CCCCC5)N","InChI=1S/C34H44N6O3/c35-31-29(23-37-40(31)28-14-8-3-9-15-28)33(42)36-22-25-16-19-26(20-17-25)32(41)39-30(21-18-24-10-4-1-5-11-24)34(43)38-27-12-6-2-7-13-27/h3,8-9,14-17,19-20,23-24,27,30H,1-2,4-7,10-13,18,21-22,35H2,(H,36,42)(H,38,43)(H,39,41)/t30-/m0/s1","","2020-02-24","2020-02-28","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-04"],["A5B","alisertib ","C27 H20 Cl F N4 O4","COc1cc(ccc1C(O)=O)Nc2nc3c(cn2)CN=C(c4c3ccc(Cl)c4)c5c(F)cccc5OC;COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(O)=O)c(OC)c4)nc3c5ccc(Cl)cc25;COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F","InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)","","2016-02-21","2016-11-04","4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid","2016-11-09"],["O8U","4-methoxyaniline","C7 H9 N O","COc1ccc(N)cc1;COc1ccc(cc1)N","InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3","","2023-01-27","2023-04-07","4-methoxyaniline","2023-04-12"],["A5C","alpha-L-talofuranose","C6 H12 O6","OC1C(OC(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5+,6+/m0/s1","alpha-L-talose; L-talose; talose; (2R,3R,4S,5R)-5-[(1S)-1,2-DIHYDROXYETHYL]OXOLANE-2,3,4-TRIOL","2011-03-19","2020-07-17","alpha-L-talofuranose",""],["O8V","(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","C38 H43 N5 O9","C4(O)C=C(C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)cccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O)=O)C;C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=O)c5coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]3C)n5;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4)O)C","InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25+,28-,31-,35+/m1/s1","","2019-06-18","2020-06-12","(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","2020-06-17"],["A5D","(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol","C17 H19 N5 O3 S2","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSSCc4ccccc4)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CSSCc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)CSSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H19N5O3S2/c18-15-12-16(20-8-19-15)22(9-21-12)17-14(24)13(23)11(25-17)7-27-26-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1","","2009-08-19","2011-06-04","(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol (non-preferred name)",""],["O8W","5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C32 H42 N6 O3","CC[CH](C)NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2;CCC(C)NC(=O)C(CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4","InChI=1S/C32H42N6O3/c1-3-22(2)36-32(41)28(19-16-23-10-6-4-7-11-23)37-30(39)25-17-14-24(15-18-25)20-34-31(40)27-21-35-38(29(27)33)26-12-8-5-9-13-26/h5,8-9,12-15,17-18,21-23,28H,3-4,6-7,10-11,16,19-20,33H2,1-2H3,(H,34,40)(H,36,41)(H,37,39)/t22-,28-/m0/s1","","2020-02-24","2020-02-28","5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-04"],["A5E","3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one","C8 H8 N2 O S","O=C1CCC(=NN1)c2sccc2;c1cc(sc1)C2=NNC(=O)CC2","InChI=1S/C8H8N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)","","2017-08-16","2017-10-27","3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one","2017-11-01"],["O8X","3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide","C20 H19 N O7 S2","Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1;Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(=O)c3ccc(O)c(O)c3)cc2;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O","InChI=1S/C20H19NO7S2/c22-15-2-1-3-17(12-15)29(25,26)16-6-4-14(5-7-16)10-11-21-30(27,28)18-8-9-19(23)20(24)13-18/h1-9,12-13,21-24H,10-11H2","","2022-04-27","2023-04-07","3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide","2023-04-12"],["A5F","N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta\n-1,3-diynyl]benzamide","C20 H23 N3 O4","CC(C)(N)[CH](NC(=O)c1ccc(cc1)C#CC#C[CH]2C[CH]2CO)C(=O)NO;CC(C)(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CC2CC2CO)N","InChI=1S/C20H23N3O4/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)/t15-,16+,17-/m1/s1","ACHN-975","2018-10-02","2020-06-17","~{N}-[(2~{S})-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide","2019-01-30"],["A5G","1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine","C16 H17 F2 N5 S","Fc1ccc(c2cnc3sc(nn23)N2CCC(C)(N)CC2)c(F)c1;CC1(N)CCN(CC1)c2sc3ncc(n3n2)c4ccc(F)cc4F;CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N","InChI=1S/C16H17F2N5S/c1-16(19)4-6-22(7-5-16)15-21-23-13(9-20-14(23)24-15)11-3-2-10(17)8-12(11)18/h2-3,8-9H,4-7,19H2,1H3","INE963","2021-11-08","2021-12-24","1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine","2021-12-29"],["O8Y","hexanal","C6 H12 O","C(CC=O)CCC;CCCCCC=O;CCCCCC=O","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3","","2019-06-18","2020-05-01","hexanal","2020-05-06"],["O8Z","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C33 H44 N6 O3","CC(C)CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2;CC(C)CCNC(=O)C(CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4","InChI=1S/C33H44N6O3/c1-23(2)19-20-35-33(42)29(18-15-24-9-5-3-6-10-24)38-31(40)26-16-13-25(14-17-26)21-36-32(41)28-22-37-39(30(28)34)27-11-7-4-8-12-27/h4,7-8,11-14,16-17,22-24,29H,3,5-6,9-10,15,18-21,34H2,1-2H3,(H,35,42)(H,36,41)(H,38,40)/t29-/m0/s1","","2020-02-24","2020-02-28","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-04"],["A5H","3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole","C11 H9 Cl N2 S","Clc1ccc(cc1)C2=CSC3=NCCN23;c1cc(ccc1C2=CSC3=NCCN23)Cl","InChI=1S/C11H9ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6H2","","2017-08-16","2017-10-27","3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole","2017-11-01"],["O90","{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid","C22 H21 Cl F3 N O4 S","O=C(O)Cc3ccc(SCCCOc2ccc1c(onc1C(F)(F)F)c2CCC)c(Cl)c3;CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc3c1onc3C(F)(F)F;CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O","InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)","","2009-08-19","2011-06-04","{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid",""],["A5I","N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone","C10 H13 N3 O3 S","COc1cc(C=NNC(N)=S)cc(OC)c1O;COc1cc(cc(c1O)OC)C=NNC(=S)N","InChI=1S/C10H13N3O3S/c1-15-7-3-6(5-12-13-10(11)17)4-8(16-2)9(7)14/h3-5,14H,1-2H3,(H3,11,13,17)/b12-5+","1-[(E)-(3,5-dimethoxy-4-oxidanyl-phenyl)methylideneamino]thiourea","2021-11-24","2022-08-22","1-[(~{E})-(3,5-dimethoxy-4-oxidanyl-phenyl)methylideneamino]thiourea","2022-03-16"],["A5J","(1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol","C10 H16 N3 O15 P3","N(c1c(nc(c(c1)C2CC(O)C(O2)COP(=O)(O)OP(O)(=O)OP(=O)(O)O)O)N)(O)O;Nc1nc(O)c(cc1[N+]([O-])=O)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;c1c(c(nc(c1[N+](=O)[O-])N)O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H16N3O15P3/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(26-7)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1,6-8,14H,2-3H2,(H,21,22)(H,23,24)(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2017-07-10","2026-04-04","(1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol","2018-07-18"],["O91","[2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone","C20 H20 N2 O4","c1c(OC)c(c(cc1C(=O)c2cnc(n2)c3ccc(cc3)C)OC)OC;COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3ccc(C)cc3;Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C20H20N2O4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3/h5-11H,1-4H3,(H,21,22)","","2019-06-18","2020-04-17","[2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone","2020-04-22"],["O92","3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE","C18 H14 Cl F2 N5 O3 S","O=C(c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3cccc(F)c3F)NC;CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)(=O)Nc3cccc(F)c3F;CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N","InChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27)","","2012-03-22","2014-09-05","3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-N-methylpyrazine-2-carboxamide",""],["A5K","1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane","C11 H13 Cl F3 N3","FC(F)(F)c1cnc(N2CCCNCC2)c(Cl)c1;c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F","InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2","","2017-08-16","2017-10-27","1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane","2017-11-01"],["A5L","9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine","C10 H13 F N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)F)N","InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1","2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL ADENINE-5'-PHOSPHATE","2009-10-21","2020-06-17","9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine",""],["O93","2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron","C12 H27 B N2 O5","CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+])C[C]1(N)C(O)=O;B(CCC1CCC(C(C1)(C(=O)O)N)CN(C)C)([OH2+])(O)O","InChI=1S/C12H27BN2O5/c1-15(2)8-10-4-3-9(5-6-13(18,19)20)7-12(10,14)11(16)17/h9-10,18-19H,3-8,14,20H2,1-2H3,(H,16,17)/q+1/t9-,10-,12+/m0/s1","","2022-08-30","2023-03-24","2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-oxidaniumyl-bis(oxidanyl)boron","2023-03-29"],["O94","2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone","C19 H19 F N4 O2","Oc1ccc2c([nH]nc2[CH]3CCCN(C3)C(=O)Cc4ccc(F)cc4)n1;c1cc(ccc1CC(=O)N2CCCC(C2)c3c4ccc(nc4[nH]n3)O)F","InChI=1S/C19H19FN4O2/c20-14-5-3-12(4-6-14)10-17(26)24-9-1-2-13(11-24)18-15-7-8-16(25)21-19(15)23-22-18/h3-8,13H,1-2,9-11H2,(H2,21,22,23,25)/t13-/m0/s1","","2023-08-22","2024-08-23","2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone","2024-08-28"],["A5M","2'-AMINE-CYTIDINE-5'-MONOPHOSPHATE","C9 H15 N4 O7 P","O=C1N=C(N)C=CN1C2OC(C(O)C2N)COP(=O)(O)O;N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)N","InChI=1S/C9H15N4O7P/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14H,3,11H2,(H2,10,12,15)(H2,16,17,18)/t4-,6-,7?,8-/m1/s1","","2005-03-10","2011-06-04","2'-amino-2'-deoxycytidine 5'-(dihydrogen phosphate)",""],["A5N","O-carboxy-4-imino-L-homoserine","C5 H8 N2 O5","O=C(O)C(N)CC(=[N@H])OC(=O)O;N[CH](CC(=N)OC(O)=O)C(O)=O;[H]N=C(CC(C(=O)O)N)OC(=O)O","InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1","","2010-07-04","2024-09-27","O-carboxy-4-imino-L-homoserine",""],["O95","{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone","C17 H17 F3 N4 O3 S","FC(F)(F)c1cc2nc(sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4;Cc1c(NO)c2sc(nc2cc1C(F)(F)F)C3=N[CH](CO3)C(=O)N4CCCC4;Cc1c(cc2c(c1NO)sc(n2)C3=NC(CO3)C(=O)N4CCCC4)C(F)(F)F","InChI=1S/C17H17F3N4O3S/c1-8-9(17(18,19)20)6-10-13(12(8)23-26)28-15(22-10)14-21-11(7-27-14)16(25)24-4-2-3-5-24/h6,11,23,26H,2-5,7H2,1H3/t11-/m0/s1","","2014-04-04","2024-09-27","{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone","2015-10-28"],["A5O","ADENINE ARABINOSE-5'-PHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1","","2009-10-09","2024-09-27","9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine",""],["O96","N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide","C19 H17 Cl F3 N3 O4","O=C(N)C(=O)C(NC(=O)c2ccc(OCc1ncccc1)c(c2Cl)C(F)(F)F)CC;CC[CH](NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O;CCC(C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2","InChI=1S/C19H17ClF3N3O4/c1-2-12(16(27)17(24)28)26-18(29)11-6-7-13(14(15(11)20)19(21,22)23)30-9-10-5-3-4-8-25-10/h3-8,12H,2,9H2,1H3,(H2,24,28)(H,26,29)/t12-/m0/s1","","2010-09-20","2011-06-04","N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide",""],["O97","4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide","C17 H14 N2 O2 S2","c1(sc(cc1)C(NC2CC2)=O)c4cccc3c4cc(C(N)=O)s3;NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1;c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4","InChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21)","","2019-06-19","2019-07-19","4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide","2019-07-24"],["A5P","ARABINOSE-5-PHOSPHATE","C5 H13 O8 P","O=P(O)(O)OCC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)O)O)O)O)O","InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1","","2000-10-06","2024-09-27","5-O-phosphono-D-arabinitol",""],["O98","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C33 H44 N6 O3","CCC(CC)NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2;CCC(CC)NC(=O)C(CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4","InChI=1S/C33H44N6O3/c1-3-26(4-2)37-33(42)29(20-17-23-11-7-5-8-12-23)38-31(40)25-18-15-24(16-19-25)21-35-32(41)28-22-36-39(30(28)34)27-13-9-6-10-14-27/h6,9-10,13-16,18-19,22-23,26,29H,3-5,7-8,11-12,17,20-21,34H2,1-2H3,(H,35,41)(H,37,42)(H,38,40)/t29-/m0/s1","","2020-02-24","2020-02-28","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-04"],["A5Q","4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine","C9 H6 F3 N3 S","Nc1snnc1c2ccc(cc2)C(F)(F)F;c1cc(ccc1c2c(snn2)N)C(F)(F)F","InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-8(13)16-15-14-7/h1-4H,13H2","","2017-08-16","2017-10-27","4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine","2017-11-01"],["A5R","amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium","C11 H23 N4 O3","O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O;C(CCC(=O)O)CC(=O)C(CCCNC(=[NH2+])N)N","InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1","","2011-01-28","2024-09-27","amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium",""],["O99","3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide","C19 H17 N O7 S2","Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1;Oc1cccc(c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c3)cc2;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)O)O)O","InChI=1S/C19H17NO7S2/c21-14-2-1-3-16(10-14)28(24,25)15-6-4-13(5-7-15)12-20-29(26,27)17-8-9-18(22)19(23)11-17/h1-11,20-23H,12H2","","2022-04-27","2023-04-07","3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide","2023-04-12"],["A5S","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate","C15 H27 N2 O9 P S","CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C15H27N2O9PS/c1-10(18)8-12(20)28-7-6-16-11(19)4-5-17-14(22)13(21)15(2,3)9-26-27(23,24)25/h13,21H,4-9H2,1-3H3,(H,16,19)(H,17,22)(H2,23,24,25)/t13-/m0/s1","","2023-07-17","2024-09-27","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate","2023-11-22"],["O9A","5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide","C20 H19 F N2 O4 S","c3(C(=O)NNS(c1cc2c(cc1)cccc2)(=O)=O)cc(OCC)cc(c3F)C;CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2;CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C","InChI=1S/C20H19FN2O4S/c1-3-27-16-10-13(2)19(21)18(12-16)20(24)22-23-28(25,26)17-9-8-14-6-4-5-7-15(14)11-17/h4-12,23H,3H2,1-2H3,(H,22,24)","","2019-06-19","2020-03-27","5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide","2020-04-01"],["O9B","(2~{R})-1-methylpiperidine-2-carboxylic acid","C7 H13 N O2","CN1CCCC[CH]1C(O)=O;CN1CCCCC1C(=O)O","InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1","","2020-02-24","2021-03-26","(2~{R})-1-methylpiperidine-2-carboxylic acid","2021-03-31"],["A5T","(1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide","C33 H32 Cl3 F2 N3 O2","Clc1cccc(c1Cl)CN(C(=O)C4=C(c2ccc(cc2)CCCOc3c(F)ccc(F)c3Cl)CC5NC4CNC5)C6CC6;Fc1ccc(F)c(OCCCc2ccc(cc2)C3=C([CH]4CNC[CH](C3)N4)C(=O)N(Cc5cccc(Cl)c5Cl)C6CC6)c1Cl;c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F","InChI=1S/C33H32Cl3F2N3O2/c34-25-5-1-4-21(30(25)35)18-41(23-10-11-23)33(42)29-24(15-22-16-39-17-28(29)40-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39-40H,2-3,10-11,14-18H2/t22-,28-/m1/s1","","2009-02-18","2011-06-04","(1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide",""],["O9C","8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline","C18 H15 N5 O2","C1CN(CCO1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5;c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCOCC5","InChI=1S/C18H15N5O2/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)25-18)22-15(11-20-13)23-6-8-24-9-7-23/h1-5,10-11H,6-9H2","","2022-08-31","2023-04-14","8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline","2023-04-19"],["A5U","methyl (2S)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate","C11 H22 N2 O4","COC(=O)[CH](N)C(C)(C)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NC(C)(C)C(C(=O)OC)N","InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-11(4,5)7(12)8(14)16-6/h7H,12H2,1-6H3,(H,13,15)/t7-/m1/s1","","2018-10-02","2019-01-25","methyl (2~{S})-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate","2019-01-30"],["A5V","(1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol","C16 H25 N O2","O(c1cc(ccc1)C(O)CCN)CC2CCCCC2;NCC[CH](O)c1cccc(OCC2CCCCC2)c1;c1cc(cc(c1)OCC2CCCCC2)C(CCN)O","InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m0/s1","","2015-01-07","2015-05-22","(1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol","2015-05-27"],["O9D","5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide","C16 H17 F N2 O4 S","c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C;CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2;CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C","InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20)","","2019-06-19","2020-03-27","5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide","2020-04-01"],["A5W","cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone","C17 H23 N O2","COc1ccccc1C2CCN(CC2)C(=O)C3CCC3;COc1ccccc1C2CCN(CC2)C(=O)C3CCC3","InChI=1S/C17H23NO2/c1-20-16-8-3-2-7-15(16)13-9-11-18(12-10-13)17(19)14-5-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3","","2017-08-16","2017-10-27","cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone","2017-11-01"],["O9E","~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide","C30 H38 N8 O2 S2","CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1;CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC","InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3","","2020-02-24","2024-09-27","~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide","2020-05-20"],["O9F","1-(4-methoxyphenyl)ethanone","C9 H10 O2","COc1ccc(cc1)C(C)=O;CC(=O)c1ccc(cc1)OC","InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3","","2023-01-27","2023-04-07","1-(4-methoxyphenyl)ethanone","2023-04-12"],["A5X","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","C14 H24 N4 O10 P3 S","OP(=O)(O)OP(OCCc1c([n+](c(s1)C(P(O)=O)(C)O)Cc2cnc(nc2N)C)C)(O)=O;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](C)(O)[PH](O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C14H23N4O10P3S/c1-8-11(4-5-27-31(25,26)28-30(22,23)24)32-13(14(3,19)29(20)21)18(8)7-10-6-16-9(2)17-12(10)15/h6,19,29H,4-5,7H2,1-3H3,(H5-,15,16,17,20,21,22,23,24,25,26)/p+1/t14-/m0/s1","","2018-02-19","2018-07-06","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","2018-07-11"],["O9G","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide","C17 H15 F N4 O3 S","c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2ccccc2)(=O)=O)ncc3;Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3cccn3;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3","InChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide","2020-04-01"],["A5Y","6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C21 H17 F N4 O2 S","N3(C(c2cn(C1COC1)nc2N=C3SCc4cc(ccc4)F)=O)c5ccccc5;Fc1cccc(CSC2=Nc3nn(cc3C(=O)N2c4ccccc4)C5COC5)c1;c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5","InChI=1S/C21H17FN4O2S/c22-15-6-4-5-14(9-15)13-29-21-23-19-18(10-25(24-19)17-11-28-12-17)20(27)26(21)16-7-2-1-3-8-16/h1-10,17H,11-13H2","","2017-07-07","2019-04-26","6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2019-05-01"],["A5Z","[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol","C11 H9 Cl2 N O2","Cc1onc(c1CO)c2c(Cl)cccc2Cl;Cc1c(c(no1)c2c(cccc2Cl)Cl)CO","InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3","","2017-08-16","2024-09-27","[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol","2017-11-01"],["O9H","[(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium","C22 H33 N2 O4 S","C[NH2+][CH](C[CH](OC(C)=O)[CH]1NC(=C(CCOCc2ccccc2)S1)C=O)C(C)C;CC(C)C(CC(C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C","InChI=1S/C22H32N2O4S/c1-15(2)18(23-4)12-20(28-16(3)26)22-24-19(13-25)21(29-22)10-11-27-14-17-8-6-5-7-9-17/h5-9,13,15,18,20,22-24H,10-12,14H2,1-4H3/p+1/t18-,20-,22+/m1/s1","","2020-02-24","2021-03-26","[(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium","2021-03-31"],["O9I","N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide","C25 H21 N O9 S2","O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)cc1;Oc1ccc(cc1)c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S](=O)(=O)c4ccc(O)c(O)c4;c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(cc3)O)O)O)S(=O)(=O)c4ccc(c(c4)O)O","InChI=1S/C25H21NO9S2/c27-17-5-3-16(4-6-17)20-12-23(30)24(31)13-25(20)37(34,35)26-14-15-1-7-18(8-2-15)36(32,33)19-9-10-21(28)22(29)11-19/h1-13,26-31H,14H2","","2022-04-27","2023-04-07","N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide","2023-04-12"],["A60","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate","C29 H41 N3 O7 S","O=S(=O)(c1ccc(N)cc1)N(CC(CC)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)cc4;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C29H41N3O7S/c1-3-20(4-2)17-32(40(35,36)23-12-10-22(30)11-13-23)18-26(33)25(16-21-8-6-5-7-9-21)31-29(34)39-27-19-38-28-24(27)14-15-37-28/h5-13,20,24-28,33H,3-4,14-19,30H2,1-2H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["A61","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate","C30 H39 N3 O7 S2","O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(CC)CC)S(=O)(=O)c4ccc5ncsc5c4;CCC(CC)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5ncsc5c4;CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C30H39N3O7S2/c1-3-20(4-2)16-33(42(36,37)22-10-11-24-28(15-22)41-19-31-24)17-26(34)25(14-21-8-6-5-7-9-21)32-30(35)40-27-18-39-29-23(27)12-13-38-29/h5-11,15,19-20,23,25-27,29,34H,3-4,12-14,16-18H2,1-2H3,(H,32,35)/t23-,25-,26+,27-,29+/m0/s1","","2010-08-04","2011-08-05","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate",""],["O9J","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide","C19 H16 F N3 O3 S","c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)c3;Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccn3;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3","InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide","2020-04-01"],["O9K","[(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate","C13 H20 N2 O3 S","CN[CH](C[CH](OC(C)=O)c1scc(C=O)n1)C(C)C;CC(C)C(CC(c1nc(cs1)C=O)OC(=O)C)NC","InChI=1S/C13H20N2O3S/c1-8(2)11(14-4)5-12(18-9(3)17)13-15-10(6-16)7-19-13/h6-8,11-12,14H,5H2,1-4H3/t11-,12-/m1/s1","","2020-02-24","2021-03-26","[(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate","2021-03-31"],["A62","(3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one","C21 H23 Cl2 N O3","O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(O)Cc3ccc(Cl)cc3;OC[CH]1CN(C[CH]1c2ccc(Cl)cc2)C(=O)C[CH](O)Cc3ccc(Cl)cc3;c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(cc3)Cl)CO)O)Cl","InChI=1S/C21H23Cl2NO3/c22-17-5-1-14(2-6-17)9-19(26)10-21(27)24-11-16(13-25)20(12-24)15-3-7-18(23)8-4-15/h1-8,16,19-20,25-26H,9-13H2/t16-,19-,20-/m1/s1","","2014-04-15","2014-10-17","(3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one","2014-10-22"],["O9L","2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline","C18 H15 N5 O S","C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5;c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCSCC5","InChI=1S/C18H15N5OS/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)24-18)22-15(11-20-13)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2","","2022-08-31","2023-04-14","2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline","2023-04-19"],["A63","2-(4-methoxyphenyl)-4H-chromen-4-one","C16 H12 O3","O=C1c3c(OC(=C1)c2ccc(OC)cc2)cccc3;COc1ccc(cc1)C2=CC(=O)c3ccccc3O2;COc1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3","","2013-06-14","2013-10-25","2-(4-methoxyphenyl)-4H-chromen-4-one","2013-10-30"],["A64","4'-ISOPROPYLFLAVONE","C18 H16 O2","O=C1c3c(OC(=C1)c2ccc(cc2)C(C)C)cccc3;CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2;CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3","","2013-06-07","2014-09-05","2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one","2013-10-30"],["O9M","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide","C18 H15 F N4 O3 S","c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3;Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3","InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide","2020-04-01"],["O9N","methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate","C12 H18 N2 O2","COC(=O)[CH](N)C[CH](N)Cc1ccccc1;COC(=O)C(CC(Cc1ccccc1)N)N","InChI=1S/C12H18N2O2/c1-16-12(15)11(14)8-10(13)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8,13-14H2,1H3/t10-,11-/m0/s1","","2020-02-24","2021-03-26","methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate","2021-03-31"],["A65","[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol","C6 H9 N O S3","CSc1snc(SC)c1CO;CSc1c(c(sn1)SC)CO","InChI=1S/C6H9NOS3/c1-9-5-4(3-8)6(10-2)11-7-5/h8H,3H2,1-2H3","","2017-08-16","2017-10-27","[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol","2017-11-01"],["O9O","N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide","C23 H18 Cl N3 O3","COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1;COc1cccc(Oc2cc(Cl)cc(NC(=O)Cc3cncc4ccccc34)c2)n1;COc1cccc(n1)Oc2cc(cc(c2)Cl)NC(=O)Cc3cncc4c3cccc4","InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28)","","2023-08-17","2023-11-03","N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide","2023-11-08"],["A66","N-(3,7-Diaminopurin-6-ylacetyl)-L-lysine","C15 H24 N8 O3","O=C(O)C(N(C(=O)Cn1c2ncnc(c2nc1)N)CCN)CCCCN;NCCCC[CH](N(CCN)C(=O)Cn1cnc2c(N)ncnc12)C(O)=O;c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)C(CCCCN)C(=O)O)N","InChI=1S/C15H24N8O3/c16-4-2-1-3-10(15(25)26)23(6-5-17)11(24)7-22-9-21-12-13(18)19-8-20-14(12)22/h8-10H,1-7,16-17H2,(H,25,26)(H2,18,19,20)/t10-/m1/s1","2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE","2003-02-19","2025-07-23","N~2~-(2-aminoethyl)-N~2~-[(6-amino-9H-purin-9-yl)acetyl]-D-lysine",""],["A68","N~2~-acetyl-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-L-isoleucinamide","C29 H43 N3 O6 S","O=S(=O)(N(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C)C(C)CC)Cc1ccccc1)c2ccc(OC)cc2;CC[CH](C)[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[CH](O)CN(CC(C)C)[S](=O)(=O)c2ccc(OC)cc2;CCC(C)C(C(=O)NC(Cc1ccccc1)C(CN(CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C","InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1","","2011-06-06","2012-06-01","N~2~-acetyl-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-L-isoleucinamide",""],["O9P","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide","C17 H17 F N2 O4 S","[C@H](=C)COc2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F;Cc1cc(OCC=C)cc(c1F)C(=O)NN[S](=O)(=O)c2ccccc2;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C","InChI=1S/C17H17FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h3-8,10-11,20H,1,9H2,2H3,(H,19,21)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide","2020-04-01"],["O9Q","2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one","C16 H12 O4","Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2;Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3","","2020-02-24","2020-08-14","2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one","2020-08-19"],["A69","N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide","C33 H33 N3 O5 S2","O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CCCc3ccccc3)S(=O)(=O)c4ccc5ncsc5c4;O[CH](CN(CCCc1ccccc1)[S](=O)(=O)c2ccc3ncsc3c2)[CH](Cc4ccccc4)NC(=O)c5cccc(O)c5;c1ccc(cc1)CCCN(CC(C(Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C33H33N3O5S2/c37-27-15-7-14-26(20-27)33(39)35-30(19-25-11-5-2-6-12-25)31(38)22-36(18-8-13-24-9-3-1-4-10-24)43(40,41)28-16-17-29-32(21-28)42-23-34-29/h1-7,9-12,14-17,20-21,23,30-31,37-38H,8,13,18-19,22H2,(H,35,39)/t30-,31+/m0/s1","","2011-06-06","2012-06-01","N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide",""],["O9R","4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide","C25 H21 N O8 S2","O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)cc1;Oc1ccc(cc1)c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S](=O)(=O)c4cccc(O)c4;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3cc(c(cc3c4ccc(cc4)O)O)O)O","InChI=1S/C25H21NO8S2/c27-18-8-6-17(7-9-18)22-13-23(29)24(30)14-25(22)36(33,34)26-15-16-4-10-20(11-5-16)35(31,32)21-3-1-2-19(28)12-21/h1-14,26-30H,15H2","","2022-04-27","2023-04-07","4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide","2023-04-12"],["A6A","2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol","C11 H16 N5 O7 P","O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3COC(C(C3O)O)COP(=O)(O)O)N","InChI=1S/C11H16N5O7P/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-22-6(9(18)8(5)17)2-23-24(19,20)21/h3-6,8-9,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)/t5-,6-,8+,9-/m1/s1","((2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate","2010-08-26","2021-03-13","2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol",""],["O9S","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide","C17 H19 F N2 O4 S","C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O;CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C","InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide","2020-04-01"],["A6B","(3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide","C27 H44 N4 O3 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCCNC(=O)C35CC4CC(C3)CC(C4)C5;O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCCCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4;C1C2CC3CC1CC(C2)(C3)C(=O)NCCCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C27H44N4O3S/c32-23(8-4-3-7-22-24-21(17-35-22)30-26(34)31-24)28-9-5-1-2-6-10-29-25(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h18-22,24H,1-17H2,(H,28,32)(H,29,33)(H2,30,31,34)/t18-,19+,20-,21-,22-,24-,27-/m0/s1","","2010-10-12","2011-06-04","(3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["O9T","2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one","C16 H12 O4","Cc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2;Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O","InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3","","2020-02-25","2020-08-14","2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one","2020-08-19"],["A6C","2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol","C10 H16 N3 O8 P","O=P(O)(O)OCC2OCC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1C(C(C(C(O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N","InChI=1S/C10H16N3O8P/c11-7-1-2-13(10(16)12-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H2,11,12,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1","((2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate","2010-08-26","2021-03-13","2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol",""],["A6D","(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol","C17 H18 N6 O5 S2","[O-][N+](=O)c1cccc(c1)CSSCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSSCc4cccc(c4)[N+]([O-])=O)[CH](O)[CH]3O;c1cc(cc(c1)[N+](=O)[O-])CSSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H18N6O5S2/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(25)13(24)11(28-17)6-30-29-5-9-2-1-3-10(4-9)23(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1","","2009-08-19","2011-06-04","(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol (non-preferred name)",""],["O9U","1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one","C18 H16 Cl N O2","Clc1ccc(CN2CCC(O)=CC2=O)c(c1)c1ccccc1;OC1=CC(=O)N(CC1)Cc2ccc(Cl)cc2c3ccccc3;c1ccc(cc1)c2cc(ccc2CN3CCC(=CC3=O)O)Cl","InChI=1S/C18H16ClNO2/c19-15-7-6-14(12-20-9-8-16(21)11-18(20)22)17(10-15)13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2","","2023-05-05","2023-06-09","1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one","2023-06-14"],["O9V","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide","C17 H19 F N2 O4 S","C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O;CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2;CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C","InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide","2020-04-01"],["A6E","3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one","C13 H16 F N O2 S","Fc1ccc(OCCC(=O)N2CCSCC2)cc1;c1cc(ccc1OCCC(=O)N2CCSCC2)F","InChI=1S/C13H16FNO2S/c14-11-1-3-12(4-2-11)17-8-5-13(16)15-6-9-18-10-7-15/h1-4H,5-10H2","","2017-08-16","2017-10-27","3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one","2017-11-01"],["O9W","(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one","C24 H26 Cl F N6 O","C[CH]1CN(CCN1C(=O)C=Cc2ccc(Cl)cc2Cn3nnc(C)n3)Cc4ccc(F)cc4;Cc1nnn(n1)Cc2cc(ccc2C=CC(=O)N3CCN(CC3C)Cc4ccc(cc4)F)Cl","InChI=1S/C24H26ClFN6O/c1-17-14-30(15-19-3-8-23(26)9-4-19)11-12-31(17)24(33)10-6-20-5-7-22(25)13-21(20)16-32-28-18(2)27-29-32/h3-10,13,17H,11-12,14-16H2,1-2H3/b10-6+/t17-/m1/s1","","2020-02-25","2020-11-13","(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one","2020-11-18"],["A6F","methyl (2R,3S)-3-[(methanesulfonyl)amino]-2-({[(1s,4S)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate","C21 H32 N2 O5 S","COC(=O)N1CCCC(NS(C)(=O)=O)C1COC1CCC(CC1)c1ccccc1;COC(=O)N1CCC[CH](N[S](C)(=O)=O)[CH]1CO[CH]2CC[CH](CC2)c3ccccc3;COC(=O)N1CCCC(C1COC2CCC(CC2)c3ccccc3)NS(=O)(=O)C","InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1","","2021-11-08","2022-05-20","methyl (2R,3S)-3-[(methanesulfonyl)amino]-2-({[(1s,4S)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate","2022-05-25"],["O9X","(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide","C10 H12 F2 N2 O2","O=C(Nc1cnccc1C)C(C)OC(F)F;C[CH](OC(F)F)C(=O)Nc1cnccc1C;Cc1ccncc1NC(=O)C(C)OC(F)F","InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1","","2023-08-17","2023-11-03","(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["A6G","2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol","C11 H16 N5 O8 P","O=P(O)(O)OCC3OCC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3COC(C(C3O)O)COP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C11H16N5O8P/c12-11-14-9-6(10(19)15-11)13-3-16(9)4-1-23-5(8(18)7(4)17)2-24-25(20,21)22/h3-5,7-8,17-18H,1-2H2,(H2,20,21,22)(H3,12,14,15,19)/t4-,5-,7+,8-/m1/s1","((2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate","2010-08-26","2020-06-17","2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol",""],["O9Y","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide","C16 H14 F N5 O3 S","c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3;Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3nccn3;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3","InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)","","2019-06-19","2020-03-27","2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide","2020-04-01"],["A6H","6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine","C11 H8 Cl2 N2 O","Nc1ccc(Oc2c(Cl)cccc2Cl)nc1;c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl","InChI=1S/C11H8Cl2N2O/c12-8-2-1-3-9(13)11(8)16-10-5-4-7(14)6-15-10/h1-6H,14H2","","2017-08-16","2017-10-27","6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine","2017-11-01"],["A6I","N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide","C25 H32 N4 O6","CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NCc2ccc(cc2)C(=O)NO;CC(C)CC(C(=O)NC(C)C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)OCc2ccccc2","InChI=1S/C25H32N4O6/c1-16(2)13-21(28-25(33)35-15-19-7-5-4-6-8-19)24(32)27-17(3)22(30)26-14-18-9-11-20(12-10-18)23(31)29-34/h4-12,16-17,21,34H,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t17-,21-/m0/s1","","2019-08-02","2022-08-22","(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-1-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate","2020-02-05"],["O9Z","2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one","C15 H9 F O4","Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3;c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F","InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H","","2020-02-25","2020-08-14","2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one","2020-08-19"],["OA0","(10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione","C12 H8 O6 S","Oc1ccc2c3cc(O)c(O)cc3S(=O)(=O)Oc2c1;Oc1ccc2c(O[S](=O)(=O)c3cc(O)c(O)cc23)c1;c1cc-2c(cc1O)OS(=O)(=O)c3c2cc(c(c3)O)O","InChI=1S/C12H8O6S/c13-6-1-2-7-8-4-9(14)10(15)5-12(8)19(16,17)18-11(7)3-6/h1-5,13-15H","","2022-04-27","2023-04-07","(10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione","2023-04-12"],["A6J","(3-Deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide","C28 H28 F8 N2 O15 S2","Fc1c(F)c(OC)c(F)c(F)c1C(=O)NC2C(O)C(OC(CO)C2O)SC4OC(C(O)C(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)C4OS(=O)(=O)O)CO;COc1c(F)c(F)c(C(=O)N[CH]2[CH](O)[CH](CO)O[CH](S[CH]3O[CH](CO)[CH](O)[CH](NC(=O)c4c(F)c(F)c(OC)c(F)c4F)[CH]3O[S](O)(=O)=O)[CH]2O)c(F)c1F;COc1c(c(c(c(c1F)F)C(=O)NC2C(C(OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F","InChI=1S/C28H28F8N2O15S2/c1-49-22-13(33)9(29)7(10(30)14(22)34)25(44)37-17-19(41)5(3-39)51-27(21(17)43)54-28-24(53-55(46,47)48)18(20(42)6(4-40)52-28)38-26(45)8-11(31)15(35)23(50-2)16(36)12(8)32/h5-6,17-21,24,27-28,39-43H,3-4H2,1-2H3,(H,37,44)(H,38,45)(H,46,47,48)/t5-,6-,17+,18+,19+,20+,21-,24-,27+,28+/m1/s1","","2013-05-07","2014-09-05","3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]-beta-D-galactopyranosyl 3-deoxy-2-O-sulfo-3-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]-1-thio-beta-D-galactopyranoside","2014-05-21"],["OA1","(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE","C10 H7 Br N2 O2","O=C(c1cccc(Br)c1)c2oc(nc2)N;Nc1oc(cn1)C(=O)c2cccc(Br)c2;c1cc(cc(c1)Br)C(=O)c2cnc(o2)N","InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)","","2008-12-18","2011-06-04","(2-amino-1,3-oxazol-5-yl)(3-bromophenyl)methanone",""],["A6K","(3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one","C21 H24 Cl2 N2 O2","O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(N)Cc3ccc(Cl)cc3;N[CH](CC(=O)N1C[CH](CO)[CH](C1)c2ccc(Cl)cc2)Cc3ccc(Cl)cc3;c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(cc3)Cl)CO)N)Cl","InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19-,20-/m1/s1","","2013-11-25","2014-07-10","(3R)-3-amino-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one","2014-07-08"],["A6L","2,3-dihydroxypropyl (9Z)-octadec-9-enoate","C21 H40 O4","C(C(OCC(CO)O)=O)CCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO;CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O","InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-","monoolein","2018-10-02","2020-06-17","2,3-dihydroxypropyl (9Z)-octadec-9-enoate","2019-02-13"],["OA2","2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE","C18 H17 N3 O2","O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N;Nc1oc(cn1)C(=O)N(Cc2ccccc2)Cc3ccccc3;c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N","InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)","","2008-12-18","2011-06-04","2-amino-N,N-dibenzyl-1,3-oxazole-5-carboxamide",""],["OA3","4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one","C10 H13 N3 O","O=C2c1c(ncnc1N)CC(C2)(C)C;CC1(C)CC(=O)c2c(N)ncnc2C1;CC1(Cc2c(c(ncn2)N)C(=O)C1)C","InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)","","2008-12-18","2011-06-04","4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one",""],["A6M","(3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one","C21 H24 Cl2 N2 O2","O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(N)Cc3ccc(Cl)cc3;N[CH](CC(=O)N1C[CH](CO)[CH](C1)c2ccc(Cl)cc2)Cc3ccc(Cl)cc3;c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(cc3)Cl)CO)N)Cl","InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19+,20-/m0/s1","","2014-04-14","2014-09-26","(3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one","2014-10-01"],["OA4","5-methyl-6-phenylquinazoline-2,4-diamine","C15 H14 N4","n3c1c(c(c(cc1)c2ccccc2)C)c(nc3N)N;Cc1c(ccc2nc(N)nc(N)c12)c3ccccc3;Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3","InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)","","2008-12-18","2011-06-04","5-methyl-6-phenylquinazoline-2,4-diamine",""],["A6N","4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole","C15 H16 N4 O3 S","N[S](O)(O)c1ccc(OCc2cn(nn2)c3ccccc3)cc1;c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O","InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10,20-21H,11,16H2","","2016-07-20","2017-06-16","4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole","2017-06-21"],["OA5","6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine","C11 H13 N5 O2","O(c1nc(nc(n1)N)N)CCOc2ccccc2;Nc1nc(N)nc(OCCOc2ccccc2)n1;c1ccc(cc1)OCCOc2nc(nc(n2)N)N","InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)","","2008-12-18","2011-06-04","6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine",""],["A6O","(2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one","C20 H26 O3","CC[C]1(CC=C2CCCc3cc(OC)ccc23)[CH](O)CCC1=O;CCC1(C(CCC1=O)O)CC=C2CCCc3c2ccc(c3)OC","InChI=1S/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3/b14-11+/t18-,20+/m0/s1","","2018-10-10","2019-09-27","(2~{R},3~{S})-2-ethyl-2-[(2~{E})-2-(6-methoxy-3,4-dihydro-2~{H}-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one","2019-10-02"],["A6P","6-O-phosphono-alpha-D-allopyranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1","6-O-phosphono-alpha-D-allose; 6-O-phosphono-D-allose; 6-O-phosphono-allose","2008-06-10","2020-07-17","6-O-phosphono-alpha-D-allopyranose",""],["OA7","6-hydroxypyridine-3-carboxylic acid","C6 H5 N O3","c1cc(O)ncc1C(O)=O;OC(=O)c1ccc(O)nc1;c1cc(ncc1C(=O)O)O","InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)","6-hydroxynicotinic acid","2019-06-19","2020-06-17","6-hydroxypyridine-3-carboxylic acid","2019-11-06"],["OA8","{[(2R,3S,4R,5S,6S)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid","C10 H18 N O10 P","CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](OC(C)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)OC(=O)C)O","InChI=1S/C10H18NO10P/c1-4(12)11-7-8(14)9(20-5(2)13)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1","","2020-02-25","2020-10-02","[(2~{R},3~{S},4~{R},5~{S})-5-acetamido-4,6-bis(oxidanyl)-2-(phosphonooxymethyl)oxan-3-yl] ethanoate","2020-10-07"],["A6Q","N-(3,4-dihydroxybenzylidene)-thiosemicarbazone","C10 H13 N3 O2 S","CCNC(=S)NN=Cc1ccc(O)c(O)c1;CCNC(=S)NN=Cc1ccc(c(c1)O)O","InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-3-4-8(14)9(15)5-7/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+","1-[(E)-[3,4-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea","2021-11-24","2022-08-22","1-[(~{E})-[3,4-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea","2022-03-16"],["OA9","Mesaconyl Coenzme A","C26 H40 N7 O19 P3 S","CC(=CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=CC(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20+,24-/m1/s1","(~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid; Mesaconyl-CoA; 2-methylfumaroyl-CoA","2022-09-01","2023-01-06","(~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid","2023-01-11"],["A6R","arsenoplatin-1","C4 H8 As N2 O4 Pt","CC1=N[Pt]2N=C(C)O[As]2(O)(O)O1;CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C","InChI=1S/C4H8AsN2O4.Pt/c1-3(6)10-5(8,9)11-4(2)7;/h8-9H,1-2H3;/q-1;+1","","2017-03-28","2018-05-11","3,7-dimethyl-1,1-bis(oxidanyl)-2,8-dioxa-4,6-diaza-1$l^{5}-arsa-5$l^{3}-platinabicyclo[3.3.0]octa-3,6-diene","2018-05-16"],["OAA","OXALOACETATE ION","C4 H3 O5","[O-]C(=O)CC(=O)C(=O)O;OC(=O)C(=O)CC([O-])=O;C(C(=O)C(=O)O)C(=O)[O-]","InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1","","1999-07-08","2024-09-27","3-carboxy-3-oxopropanoate",""],["A6S","1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine","C28 H30 F N3 O","c1cc(F)cc4c1c(cn4c3ccnc(c2cccc(OC)c2)c3)CNCC5CCCCC5;COc1cccc(c1)c2cc(ccn2)n3cc(CNCC4CCCCC4)c5ccc(F)cc35;COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5","InChI=1S/C28H30FN3O/c1-33-25-9-5-8-21(14-25)27-16-24(12-13-31-27)32-19-22(26-11-10-23(29)15-28(26)32)18-30-17-20-6-3-2-4-7-20/h5,8-16,19-20,30H,2-4,6-7,17-18H2,1H3","","2017-07-07","2017-08-11","1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine","2017-08-16"],["A6T","(1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide","C33 H32 Cl3 F2 N3 O2","Clc1cccc(c1Cl)CN(C(=O)C4=C(c2ccc(cc2)CCCOc3c(F)ccc(F)c3Cl)CC5NC4CNC5)C6CC6;Fc1ccc(F)c(OCCCc2ccc(cc2)C3=C([CH]4CNC[CH](C3)N4)C(=O)N(Cc5cccc(Cl)c5Cl)C6CC6)c1Cl;c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F","InChI=1S/C33H32Cl3F2N3O2/c34-25-5-1-4-21(30(25)35)18-41(23-10-11-23)33(42)29-24(15-22-16-39-17-28(29)40-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39-40H,2-3,10-11,14-18H2/t22-,28-/m0/s1","","2009-02-18","2011-06-04","(1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide",""],["OAB","{[(2R,3S,4R,5S,6S)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid","C10 H18 N O10 P","CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O;CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)OC(=O)C","InChI=1S/C10H18NO10P/c1-4(12)11-7-9(20-5(2)13)8(14)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1","","2020-02-25","2020-10-02","[(3~{S},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl] ethanoate","2020-10-07"],["OAC","TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE","C10 H12 O3","O=C(O)C(Cc1ccccc1O)C;C[CH](Cc1ccccc1O)C(O)=O;CC(Cc1ccccc1O)C(=O)O","InChI=1S/C10H12O3/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1","","2001-01-26","2011-06-04","(2R)-3-(2-hydroxyphenyl)-2-methylpropanoic acid",""],["A6U","1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol","C10 H15 N2 O9 P","O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](CO[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(C(C(O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O","InChI=1S/C10H15N2O9P/c13-7-1-2-12(10(16)11-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H,11,13,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1","((2R,3S,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate","2010-08-26","2021-03-13","1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol",""],["OAD","2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE","C17 H25 N5 O15 P2","O=C(OC1C(O)C(OC1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C;CC(=O)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;CC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1","","2002-06-28","2012-01-05","(2S,3R,4R,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,4-dihydroxytetrahydrofuran-3-yl acetate (non-preferred name)",""],["A6V","(1R)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol","C19 H29 N O2","OC(c2cc(OCC1=C(C)CCCC1(C)C)ccc2)CCN;CC1=C(COc2cccc(c2)[CH](O)CCN)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)COc2cccc(c2)C(CCN)O","InChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1","","2014-11-12","2015-04-10","(1R)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol","2015-04-15"],["A6W","methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate","C10 H9 N O2 S2","COC(=O)c1sc(cc1N)c2sccc2;COC(=O)c1c(cc(s1)c2cccs2)N","InChI=1S/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3","","2017-08-16","2017-10-27","methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate","2017-11-01"],["OAE","(2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H21 N3 O5 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O)O)C","InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13+/m1/s1","","2011-04-01","2011-09-23","(2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["OAF","2,2-difluoro-3,3-dihydroxybutanedioic acid","C4 H4 F2 O6","FC(F)(C(=O)O)C(O)(O)C(=O)O;OC(=O)C(O)(O)C(F)(F)C(O)=O;C(=O)(C(C(C(=O)O)(F)F)(O)O)O","InChI=1S/C4H4F2O6/c5-3(6,1(7)8)4(11,12)2(9)10/h11-12H,(H,7,8)(H,9,10)","","2008-12-03","2011-06-04","2,2-difluoro-3,3-dihydroxybutanedioic acid",""],["A6X","4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide","C34 H31 F3 N8 O3","Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCNC(=O)CCNC5=Nn6c(C=C5)ncc6C#Cc(c4)c3C)cc(c2)C(F)(F)F;Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3cc4cc(c3C)C#Cc5cnc6n5nc(cc6)NCCC(=O)NCCCCO4)C(F)(F)F","InChI=1S/C34H31F3N8O3/c1-21-19-44(20-41-21)27-15-24(34(35,36)37)14-25(16-27)42-33(47)29-17-28-13-23(22(29)2)5-6-26-18-40-31-8-7-30(43-45(26)31)38-11-9-32(46)39-10-3-4-12-48-28/h7-8,13-20H,3-4,9-12H2,1-2H3,(H,38,43)(H,39,46)(H,42,47)","","2023-05-10","2023-09-15","","2023-09-20"],["A6Y","(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol","C22 H21 N3 O","c1cccc3c1n(Cc2c(ccc(c2)C)C)c(n3)C(O)c4ccncc4;Cc1ccc(C)c(Cn2c3ccccc3nc2[CH](O)c4ccncc4)c1;Cc1ccc(c(c1)Cn2c3ccccc3nc2C(c4ccncc4)O)C","InChI=1S/C22H21N3O/c1-15-7-8-16(2)18(13-15)14-25-20-6-4-3-5-19(20)24-22(25)21(26)17-9-11-23-12-10-17/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1","","2017-07-08","2019-12-20","(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol","2019-12-25"],["OAG","6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine","C14 H12 Cl2 N6","Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1;c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl","InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)","","2010-01-08","2011-06-04","6-[[(2,5-dichlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine",""],["OAH","9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,7+/m1/s1","","2011-03-03","2011-06-04","9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine",""],["A6Z","2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile","C12 H15 Cl N3","Clc1cccc(c1)N2CC[NH+](CC2)CC#N;c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N","InChI=1S/C12H14ClN3/c13-11-2-1-3-12(10-11)16-8-6-15(5-4-14)7-9-16/h1-3,10H,5-9H2/p+1","","2017-08-16","2017-10-27","2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile","2017-11-01"],["A70","N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd\nroxy-5-methylhexyl]-L-norleucinamide","C42 H70 N6 O5","O=C(N1CCN(C)CC1)N3C(C(=O)N(C(C(=O)NC(CC2CCCCC2)C(O)CC(C(=O)NCCCC)C(C)C)CCCC)CC3)Cc4ccccc4;CCCCNC(=O)[CH](C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](CCCC)N2CCN([CH](Cc3ccccc3)C2=O)C(=O)N4CCN(C)CC4)C(C)C;CCCCC(C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCCCC)O)N2CCN(C(C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C","InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35-,36-,37+,38-/m0/s1","A70450","1999-07-08","2020-06-17","(2S,4S,5S)-5-{[(2S)-2-{(3R)-3-benzyl-4-[(4-methylpiperazin-1-yl)carbonyl]-2-oxopiperazin-1-yl}hexanoyl]amino}-N-butyl-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanamide",""],["OAI","6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID","C11 H8 N2 O5","O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O;OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O;c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O","InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)","","2000-04-17","2011-06-04","6-[(carboxycarbonyl)amino]-1H-indole-5-carboxylic acid",""],["A71","(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEX","C6 H25 N5 Pt","N.N.N.[Pt].NCCCCCCN;C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN","InChI=1S/C6H16N2.3H3N.Pt/c7-5-3-1-2-4-6-8;;;;/h1-8H2;3*1H3;","","2006-10-10","2023-09-23","(6-azanylhexyl-$l^{4}-azanyl)-tris($l^{4}-azanyl)platinum",""],["OAJ","(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid","C21 H20 N2 O5","OC(C1COCCN1C(Cc2ccc(cc2)Oc3cc(C)c(cc3)C#N)=O)=O;Cc1cc(Oc2ccc(CC(=O)N3CCOC[CH]3C(O)=O)cc2)ccc1C#N;Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3C(=O)O","InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m1/s1","","2019-06-19","2020-05-01","(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid","2020-05-06"],["A72","TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEX","C12 H36 N4 Pt","N.N.[Pt].CCCCCCN.CCCCCCN;CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC","InChI=1S/2C6H15N.2H3N.Pt/c2*1-2-3-4-5-6-7;;;/h2*2-7H2,1H3;2*1H3;","","2006-10-10","2023-09-23","bis(hexyl-$l^{4}-azanyl)-bis($l^{4}-azanyl)platinum",""],["OAK","N-(phenylcarbonyl)-beta-D-glucopyranosylamine","C13 H17 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2;OC[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1","N-(phenylcarbonyl)-beta-D-glucosylamine; N-(phenylcarbonyl)-D-glucosylamine; N-(phenylcarbonyl)-glucosylamine","2009-02-05","2020-07-17","N-(phenylcarbonyl)-beta-D-glucopyranosylamine",""],["OAL","(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID","C16 H10 O6","O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O;OC(=O)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O;c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O","InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)","OXIDIZED ACETYL DITHRANOL","2002-12-12","2021-03-01","(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid",""],["A73","2-(4-bromophenyl)-4H-chromen-4-one","C15 H9 Br O2","Brc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3;Brc1ccc(cc1)C2=CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br","InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H","","2013-06-12","2013-10-25","2-(4-bromophenyl)-4H-chromen-4-one","2013-10-30"],["OAM","4-{4-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine","C13 H18 N8","n3cc(c1nnc(n1CCCn2ccnc2)C)c(N)n3C;Cn1ncc(c1N)c2nnc(C)n2CCCn3ccnc3;Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C","InChI=1S/C13H18N8/c1-10-17-18-13(11-8-16-19(2)12(11)14)21(10)6-3-5-20-7-4-15-9-20/h4,7-9H,3,5-6,14H2,1-2H3","","2010-12-14","2011-06-04","4-{4-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine",""],["A74","2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE","C20 H15 Cl2 N3 O5 S","Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4ccc(OC)nc4;COc1cc2nc(N[S](=O)(=O)c3cc(Cl)ccc3Cl)oc2c(c1)c4ccc(OC)nc4;COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC","InChI=1S/C20H15Cl2N3O5S/c1-28-13-8-14(11-3-6-18(29-2)23-10-11)19-16(9-13)24-20(30-19)25-31(26,27)17-7-12(21)4-5-15(17)22/h3-10H,1-2H3,(H,24,25)","","2006-01-25","2011-06-04","2,5-dichloro-N-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide",""],["A75","2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID","C17 H17 N O4 S","O=S(=O)(c1ccccc1)Nc2ccc3c(c2C(=O)O)CCCC3;OC(=O)c1c2CCCCc2ccc1N[S](=O)(=O)c3ccccc3;c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3","InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20)","","2005-03-04","2011-06-04","2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid",""],["OAN","O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE","C15 H19 N3 O7","O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1","PUGNAc","2006-01-05","2021-03-01","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)",""],["OAO","2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide","C18 H17 Cl N4 O3","Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1;Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C","InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)","","2023-08-17","2023-11-03","2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["A76","N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE","C44 H58 N8 O6","O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1ccccn1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)N(C)Cc4ccccn4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4","InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1","","1999-07-08","2011-06-04","(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)",""],["A77","N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE","C44 H58 N8 O6","O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1ccccn1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)N(C)Cc4ccccn4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4","InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1","","1999-07-08","2011-06-04","(2S)-N-[(1S,2R,3S,4S)-1-benzyl-2,3-dihydroxy-4-{[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanoyl]amino}-5-phenylpentyl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide (non-preferred name)",""],["OAP","4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID","C31 H37 N O3 S","O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)CSc2ccc(cc2)Cc3ccccc3;OC(=O)CC[CH](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc3ccccc3;c1ccc(cc1)CCCCCCC(=O)NC(CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3","InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1","","1999-07-08","2011-06-04","(4S)-5-[(4-benzylphenyl)sulfanyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid",""],["A78","N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE","C44 H60 N8 O5","O=C(N(Cc1[nH+]cccc1)C)NC(C(=O)NC(Cc2ccccc2)CC(O)C(NC(=O)C(NC(=O)N(C)Cc3[nH+]cccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1cccc[nH+]1)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)N(C)Cc3cccc[nH+]3)C(C)C)Cc4ccccc4;CC(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4","InChI=1S/C44H58N8O5/c1-30(2)39(49-43(56)51(5)28-34-21-13-15-23-45-34)41(54)47-36(25-32-17-9-7-10-18-32)27-38(53)37(26-33-19-11-8-12-20-33)48-42(55)40(31(3)4)50-44(57)52(6)29-35-22-14-16-24-46-35/h7-24,30-31,36-40,53H,25-29H2,1-6H3,(H,47,54)(H,48,55)(H,49,56)(H,50,57)/p+2/t36-,37-,38-,39-,40-/m0/s1","","1999-07-08","2011-06-04","2-[(5S,8S,10S,11S,14S)-8,11-dibenzyl-10-hydroxy-2,17-dimethyl-5,14-bis(1-methylethyl)-3,6,13,16-tetraoxo-18-pyridinium-2-yl-2,4,7,12,15,17-hexaazaoctadec-1-yl]pyridinium (non-preferred name)",""],["OAQ","{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol","C14 H21 N3 O3","[O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO;CC(C)NC[CH]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O;CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO","InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1","Oxamniquine","2013-09-24","2020-06-17","{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol","2013-12-18"],["OAR","N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE","C6 H16 N4 O","[N@H]=C(NCCCC(N)CO)N;N[CH](CO)CCCNC(N)=N;C(CC(CO)N)CNC(=N)N","InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1","","1999-07-08","2024-09-27","1-[(4S)-4-amino-5-hydroxypentyl]guanidine",""],["A79","N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE","C44 H58 N8 O6","O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1ccccn1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)N(C)Cc4ccccn4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4","InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40-/m0/s1","","1999-07-08","2011-06-04","(2S,2'S)-N,N'-[(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)",""],["A7A","(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol","C26 H25 N5 O","OC(c1n(c2c(n1)ccc(c2)c3cnn(c3)C)Cc4c(ccc(c4)C)C)c5ccncc5;Cn1cc(cn1)c2ccc3nc([CH](O)c4ccncc4)n(Cc5cc(C)ccc5C)c3c2;Cc1ccc(c(c1)Cn2c3cc(ccc3nc2C(c4ccncc4)O)c5cnn(c5)C)C","InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3/t25-/m1/s1","","2017-07-08","2019-12-20","(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol","2019-12-25"],["OAS","O-ACETYLSERINE","C5 H9 N O4","O=C(OCC(N)C(=O)O)C;CC(=O)OC[CH](N)C(O)=O;CC(=O)OCC(C(=O)O)N","InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1","","2000-02-01","2024-09-27","O-acetyl-L-serine",""],["A7B","8-methoxy-4-methylquinolin-2(1H)-one","C11 H11 N O2","O=C2C=C(c1c(c(OC)ccc1)N2)C;COc1cccc2C(=CC(=O)Nc12)C;CC1=CC(=O)Nc2c1cccc2OC","InChI=1S/C11H11NO2/c1-7-6-10(13)12-11-8(7)4-3-5-9(11)14-2/h3-6H,1-2H3,(H,12,13)","","2010-06-29","2012-01-06","8-methoxy-4-methylquinolin-2(1H)-one",""],["OAT","N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide","C25 H21 N O10 S2","Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1ccc(O)c(O)c1;Oc1ccc(cc1O)N(Cc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3)[S](=O)(=O)c4ccc(O)c(O)c4;c1cc(ccc1CN(c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O)S(=O)(=O)c4ccc(c(c4)O)O","InChI=1S/C25H21NO10S2/c27-20-8-3-16(11-23(20)30)26(38(35,36)19-7-10-22(29)25(32)13-19)14-15-1-4-17(5-2-15)37(33,34)18-6-9-21(28)24(31)12-18/h1-13,27-32H,14H2","","2022-04-27","2023-04-07","N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide","2023-04-12"],["OAU","3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole","C21 H24 N2","CC(=C)[CH]1CC[C](C)(C=C)[CH]([N+]#[C-])[CH]1c2c[nH]c3ccccc23;CC(=C)C1CCC(C(C1c2c[nH]c3c2cccc3)[N+]#[C-])(C)C=C","InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m1/s1","12-epi-hapalindole C isoniltrile; 3-[(1R,2S,3R,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole","2022-09-01","2022-10-28","3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole","2022-11-02"],["A7C","3-[1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]-1-[5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C18 H20 Br N8 O7 P","C5(n4c1ncnc(c1c(c2nnn(c2)c3ccc(cc3)Br)n4)N)OC(C(C5O)O)COP(O)(O)O;Nc1ncnc2n(nc(c3cn(nn3)c4ccc(Br)cc4)c12)[CH]5O[CH](CO[PH](O)(O)O)[CH](O)[CH]5O;c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)C5C(C(C(O5)COP(O)(O)O)O)O)N)Br","InChI=1S/C18H20BrN8O7P/c19-8-1-3-9(4-2-8)26-5-10(23-25-26)13-12-16(20)21-7-22-17(12)27(24-13)18-15(29)14(28)11(34-18)6-33-35(30,31)32/h1-5,7,11,14-15,18,28-32,35H,6H2,(H2,20,21,22)/t11-,14-,15-,18-/m1/s1","","2017-11-01","2017-12-01","3-[1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]-1-[5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-12-06"],["OAV","2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide","C23 H24 N4 O2","c3(cc(Oc2ccc(CC(N(CC)CCn1cccn1)=O)cc2)ccc3C#N)C;CCN(CCn1cccn1)C(=O)Cc2ccc(Oc3ccc(C#N)c(C)c3)cc2;CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N","InChI=1S/C23H24N4O2/c1-3-26(13-14-27-12-4-11-25-27)23(28)16-19-5-8-21(9-6-19)29-22-10-7-20(17-24)18(2)15-22/h4-12,15H,3,13-14,16H2,1-2H3","","2019-06-19","2020-05-01","2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide","2020-05-06"],["A7D","5'-S-[(3R)-3,4-dihydroxybutyl]-5'-thioadenosine","C14 H21 N5 O5 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCC(O)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCC[CH](O)CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(CO)O)O)O)N","InChI=1S/C14H21N5O5S/c15-12-9-13(17-5-16-12)19(6-18-9)14-11(23)10(22)8(24-14)4-25-2-1-7(21)3-20/h5-8,10-11,14,20-23H,1-4H2,(H2,15,16,17)/t7-,8-,10-,11-,14-/m1/s1","","2009-08-19","2011-06-04","5'-S-[(3R)-3,4-dihydroxybutyl]-5'-thioadenosine",""],["OAW","2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one","C13 H15 N7 O","O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C)c3cnnc3;CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3c[nH]nc3;Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C","InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19)","","2010-08-11","2011-06-04","2-amino-4-methyl-8-(propan-2-yl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one",""],["A7E","3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C12 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2nc(C#C)c1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(nc(C#C)c12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;C#Cc1c2c(ncnc2n(n1)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C12H14N5O7P/c1-2-5-7-10(13)14-4-15-11(7)17(16-5)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h1,4,6,8-9,12,18-19H,3H2,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1","8-aza-7-deaza-7-ethynyl Adenosine","2013-11-22","2021-03-01","3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-07-02"],["OAX","4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide","C13 H15 Cl N2 O2","Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O;c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl","InChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18)","","2019-09-11","2024-09-27","4-chloranyl-~{N}-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide","2020-09-09"],["A7F","Arcyriaflavin A","C20 H11 N3 O2","O=C1NC(=O)c2c3c4ccccc4[NH]c3c3[NH]c4ccccc4c3c21;O=C1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25;c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O","InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)","12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione","2023-09-08","2024-08-30","12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione","2024-09-04"],["A7G","1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole","C25 H25 F2 N5 O","FC(F)Oc1ccccc1Cn5c4cc(c2ccc(nc2)N3CCNCC3)ccc4nc5C;Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5;Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5","InChI=1S/C25H25F2N5O/c1-17-30-21-8-6-18(19-7-9-24(29-15-19)31-12-10-28-11-13-31)14-22(21)32(17)16-20-4-2-3-5-23(20)33-25(26)27/h2-9,14-15,25,28H,10-13,16H2,1H3","","2017-07-08","2018-01-19","1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole","2018-01-24"],["OAY","3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione","C22 H24 N4 O4","CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(CC4CC4)C(=O)c3c2C)C5CC5;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC3CC3)C(=O)C4=C(NN(C4=O)C)C5CC5","InChI=1S/C22H24N4O4/c1-11-14(19(27)17-18(13-6-7-13)23-25(3)20(17)28)8-9-15-16(11)21(29)26(10-12-4-5-12)22(30)24(15)2/h8-9,12-13,23H,4-7,10H2,1-3H3","","2023-01-27","2023-12-15","3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione","2023-12-20"],["OAZ","(2-azidophenyl)methyl hydrogen carbonate","C8 H7 N3 O2","C(=O)(O)OCc1c(cccc1)N=[N+]=[N-];OC(=O)OCc1ccccc1N=[N+]=[N-];c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]","InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)","","2017-05-10","2024-09-27","(2-azidophenyl)methyl hydrogen carbonate","2017-12-20"],["A7H","6-ethoxy-2-methyl-1,3-benzothiazole","C10 H11 N O S","CCOc1ccc2nc(C)sc2c1;CCOc1ccc2c(c1)sc(n2)C","InChI=1S/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3","","2017-08-16","2017-10-27","6-ethoxy-2-methyl-1,3-benzothiazole","2017-11-01"],["OB0","4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol","C16 H19 N3 O6 S2","O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1ccc(N)cc1;Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(O)c(O)c3;c1cc(ccc1N)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O","InChI=1S/C16H19N3O6S2/c17-12-1-3-13(4-2-12)26(22,23)18-7-9-19(10-8-18)27(24,25)14-5-6-15(20)16(21)11-14/h1-6,11,20-21H,7-10,17H2","","2022-04-27","2023-04-07","4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol","2023-04-12"],["A7I","5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE","C15 H24 Cl N3 O3 S2","O=C(NCCS(=O)(=O)NC1CCN(C(C)C)CC1)c2sc(Cl)cc2;CC(C)N1CCC(CC1)N[S](=O)(=O)CCNC(=O)c2sc(Cl)cc2;CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl","InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20)","","2011-11-14","2014-04-30","5-chloro-N-(2-{[1-(1-methylethyl)piperidin-4-yl]sulfamoyl}ethyl)thiophene-2-carboxamide",""],["A7K","[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium","C13 H21 N2 O","[NH3+]Cc1ccccc1N2CCC(CO)CC2;c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO","InChI=1S/C13H20N2O/c14-9-12-3-1-2-4-13(12)15-7-5-11(10-16)6-8-15/h1-4,11,16H,5-10,14H2/p+1","","2017-08-16","2017-10-27","[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium","2017-11-01"],["OB1","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C24 H21 N O5 S","c1c(O)ccc(c1)C3=C(c2ccc(O)cc2)C4OC3C(C4)S(Nc5ccccc5)(=O)=O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Nc4ccccc4)c5ccc(O)cc5;c1ccc(cc1)NS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C24H21NO5S/c26-18-10-6-15(7-11-18)22-20-14-21(31(28,29)25-17-4-2-1-3-5-17)24(30-20)23(22)16-8-12-19(27)13-9-16/h1-13,20-21,24-27H,14H2/t20-,21+,24+/m0/s1","","2015-05-18","2016-05-27","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7L","N-(2,5-dihydroxybenzylidene)-thiosemicarbazone","C10 H13 N3 O2 S","CCNC(=S)NN=Cc1cc(O)ccc1O;CCNC(=S)NN=Cc1cc(ccc1O)O","InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-5-8(14)3-4-9(7)15/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+","1-[(E)-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea","2021-11-24","2022-08-22","1-[(~{E})-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea","2022-03-16"],["OB2","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C25 H23 N O5 S","c1c(ccc(c1)O)C2=C(C3C(CC2O3)S(=O)(N(c4ccccc4)C)=O)c5ccc(O)cc5;CN(c1ccccc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;CN(c1ccccc1)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C25H23NO5S/c1-26(18-5-3-2-4-6-18)32(29,30)22-15-21-23(16-7-11-19(27)12-8-16)24(25(22)31-21)17-9-13-20(28)14-10-17/h2-14,21-22,25,27-28H,15H2,1H3/t21-,22+,25+/m0/s1","","2015-05-18","2016-05-27","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7M","{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol","C17 H18 N2 O","c3(Cn1c(CO)nc2ccccc12)cc(C)ccc3C;Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1;Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C","InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3","","2017-07-08","2019-12-20","{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol","2019-12-25"],["OB3","(1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C25 H22 Cl N O5 S","c1cc(ccc1O)C2=C(C3CC(C2O3)S(=O)(N(C)c4c(Cl)cccc4)=O)c5ccc(cc5)O;CN(c1ccccc1Cl)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;CN(c1ccccc1Cl)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C25H22ClNO5S/c1-27(20-5-3-2-4-19(20)26)33(30,31)22-14-21-23(15-6-10-17(28)11-7-15)24(25(22)32-21)16-8-12-18(29)13-9-16/h2-13,21-22,25,28-29H,14H2,1H3/t21-,22+,25+/m0/s1","","2015-05-21","2016-05-27","(1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7N","(1~{R})-1-(4-ethoxyphenyl)ethanamine","C10 H15 N O","CCOc1ccc(cc1)[CH](C)N;CCOc1ccc(cc1)C(C)N","InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3/t8-/m1/s1","","2017-08-16","2017-10-27","(1~{R})-1-(4-ethoxyphenyl)ethanamine","2017-11-01"],["OB4","(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C27 H27 N O6 S","c1c(ccc(c1)C3=C(c2ccc(O)cc2)C4OC3C(C4)S(=O)(N(c5ccc(OC)cc5)CC)=O)O;CCN(c1ccc(OC)cc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;CCN(c1ccc(cc1)OC)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C27H27NO6S/c1-3-28(19-8-14-22(33-2)15-9-19)35(31,32)24-16-23-25(17-4-10-20(29)11-5-17)26(27(24)34-23)18-6-12-21(30)13-7-18/h4-15,23-24,27,29-30H,3,16H2,1-2H3/t23-,24+,27+/m0/s1","","2015-05-21","2016-05-27","(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7O","(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone","C30 H34 N2 O6","c1(ccnc(c1)C(N2CC(C2)c3cc(OC)c(cc3)OCc5ccc(C4CC4)cc5)=O)COCC(O)CO;COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(COC[CH](O)CO)ccn5;COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COCC(CO)O","InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1","","2018-10-11","2019-08-02","(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone","2019-08-07"],["OB5","(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C27 H27 N O6 S","c5c(ccc(C=1C3CC(C(C=1c2ccc(cc2)O)O3)S(=O)(N(c4ccc(cc4)OC)CC)=O)c5)O;CCN(c1ccc(OC)cc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;CCN(c1ccc(cc1)OC)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C27H27NO6S/c1-3-28(19-8-14-22(33-2)15-9-19)35(31,32)24-16-23-25(17-4-10-20(29)11-5-17)26(27(24)34-23)18-6-12-21(30)13-7-18/h4-15,23-24,27,29-30H,3,16H2,1-2H3/t23-,24+,27+/m1/s1","","2015-05-21","2016-05-27","(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7Q","(6-phenoxypyridin-3-yl)methanol","C12 H11 N O2","OCc1ccc(Oc2ccccc2)nc1;c1ccc(cc1)Oc2ccc(cn2)CO","InChI=1S/C12H11NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-8,14H,9H2","","2017-08-16","2017-10-27","(6-phenoxypyridin-3-yl)methanol","2017-11-01"],["OB6","(1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C26 H24 Cl N O5 S","c1(ccc(cc1)C=2C4CC(C(C=2c3ccc(cc3)O)O4)S(=O)(N(c5ccc(cc5)Cl)CC)=O)O;CCN(c1ccc(Cl)cc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;CCN(c1ccc(cc1)Cl)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C26H24ClNO5S/c1-2-28(19-9-7-18(27)8-10-19)34(31,32)23-15-22-24(16-3-11-20(29)12-4-16)25(26(23)33-22)17-5-13-21(30)14-6-17/h3-14,22-23,26,29-30H,2,15H2,1H3/t22-,23+,26+/m0/s1","","2015-05-28","2016-05-27","(1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["OB7","(1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C26 H24 Cl N O5 S","c1(O)ccc(cc1)C3=C(c2ccc(cc2)O)C4OC3C(C4)S(=O)(N(CC)c5ccc(cc5)Cl)=O;CCN(c1ccc(Cl)cc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5;CCN(c1ccc(cc1)Cl)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C26H24ClNO5S/c1-2-28(19-9-7-18(27)8-10-19)34(31,32)23-15-22-24(16-3-11-20(29)12-4-16)25(26(23)33-22)17-5-13-21(30)14-6-17/h3-14,22-23,26,29-30H,2,15H2,1H3/t22-,23+,26+/m1/s1","","2015-05-28","2016-05-27","(1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7R","[[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C20 H28 N5 O15 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=NC4=O)N)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N","InChI=1S/C20H27N5O15P2/c21-12-3-5-25(20(31)23-12)19-16(29)14(27)11(39-19)8-37-42(34,35)40-41(32,33)36-7-10-13(26)15(28)18(38-10)24-4-1-2-9(6-24)17(22)30/h1-6,10-11,13-16,18-19,26-29H,7-8H2,(H5-,21,22,23,30,31,32,33,34,35)/p+1/t10-,11-,13+,14+,15+,16+,18-,19-/m0/s1","","2018-10-12","2019-03-08","[[(2~{S},3~{S},4~{R},5~{S})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2019-03-13"],["OB8","(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C30 H27 N O5 S","c1c(O)ccc(c1)C3=C(c2ccc(O)cc2)C4CC(C3O4)S(=O)(N(CC)c5ccc6c(c5)cccc6)=O;CCN(c1ccc2ccccc2c1)[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6;CCN(c1ccc2ccccc2c1)S(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O","InChI=1S/C30H27NO5S/c1-2-31(23-12-7-19-5-3-4-6-22(19)17-23)37(34,35)27-18-26-28(20-8-13-24(32)14-9-20)29(30(27)36-26)21-10-15-25(33)16-11-21/h3-17,26-27,30,32-33H,2,18H2,1H3/t26-,27+,30+/m0/s1","","2015-05-28","2016-05-27","(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A7S","1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","C20 H23 F N2 O3 S","c1(cc(F)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)c(F)c3)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C","InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3","AMF1beta","2017-07-10","2020-06-17","1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide","2017-11-15"],["A7T","(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide","C35 H39 Cl2 N3 O3","Clc6cc(cc(Cl)c6OCCOc5ccc(C3=C(C(=O)N(C1CC1)Cc2cccc(c2C)C)C4NC(C3)CNC4)cc5)C;Cc1cc(Cl)c(OCCOc2ccc(cc2)C3=C([CH]4CNC[CH](C3)N4)C(=O)N(Cc5cccc(C)c5C)C6CC6)c(Cl)c1;Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl","InChI=1S/C35H39Cl2N3O3/c1-21-15-30(36)34(31(37)16-21)43-14-13-42-28-11-7-24(8-12-28)29-17-26-18-38-19-32(39-26)33(29)35(41)40(27-9-10-27)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,15-16,26-27,32,38-39H,9-10,13-14,17-20H2,1-3H3/t26-,32-/m1/s1","","2009-02-18","2011-06-04","(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide",""],["OB9","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C26 H22 F3 N O5 S","c1c(O)ccc(c1)C3=C(c2ccc(cc2)O)C4CC(C3O4)S(N(CC(F)(F)F)c5ccccc5)(=O)=O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F)(F)F)c4ccccc4)c5ccc(O)cc5;c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C26H22F3NO5S/c27-26(28,29)15-30(18-4-2-1-3-5-18)36(33,34)22-14-21-23(16-6-10-19(31)11-7-16)24(25(22)35-21)17-8-12-20(32)13-9-17/h1-13,21-22,25,31-32H,14-15H2/t21-,22+,25+/m0/s1","","2015-05-28","2016-05-27","(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["OBA","2-(OXALYL-AMINO)-BENZOIC ACID","C9 H7 N O5","O=C(Nc1ccccc1C(=O)O)C(=O)O;OC(=O)C(=O)Nc1ccccc1C(O)=O;c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O","InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)","","2000-04-18","2011-06-04","2-[(carboxycarbonyl)amino]benzoic acid",""],["A7V","N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C25 H47 Cl N3 O8 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)/C=C(Cl)CCCCCCCCCCC;CCCCCCCCCCCC(Cl)=CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCC(=CC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)Cl","InChI=1S/C25H47ClN3O8P/c1-4-5-6-7-8-9-10-11-12-13-20(26)18-22(31)28-17-16-27-21(30)14-15-29-24(33)23(32)25(2,3)19-37-38(34,35)36/h18,23,32H,4-17,19H2,1-3H3,(H,27,30)(H,28,31)(H,29,33)(H2,34,35,36)/b20-18-/t23-/m0/s1","","2021-11-08","2024-09-27","N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2022-08-03"],["OBB","3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C24 H19 Br O6 S","c1(O)ccc(cc1)C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(Oc5cccc(c5)Br)=O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc(Br)c4)c5ccc(O)cc5;c1cc(cc(c1)Br)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C24H19BrO6S/c25-16-2-1-3-19(12-16)31-32(28,29)21-13-20-22(14-4-8-17(26)9-5-14)23(24(21)30-20)15-6-10-18(27)11-7-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1","","2015-05-07","2016-04-29","3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2016-05-04"],["A7W","8-AMINO-3-QUINOLINOL","C9 H8 N2 O","Nc1cccc2cc(O)cnc12;c1cc2cc(cnc2c(c1)N)O","InChI=1S/C9H8N2O/c10-8-3-1-2-6-4-7(12)5-11-9(6)8/h1-5,12H,10H2","","2016-05-04","2016-07-29","8-azanylquinolin-3-ol","2016-08-03"],["OBC","2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C24 H19 F O6 S","O=S(=O)(Oc1ccccc1F)C2CC5OC2C(c3ccc(O)cc3)=C5c4ccc(O)cc4;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccccc4F)c5ccc(O)cc5;c1ccc(c(c1)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O)F","InChI=1S/C24H19FO6S/c25-18-3-1-2-4-19(18)31-32(28,29)21-13-20-22(14-5-9-16(26)10-6-14)23(24(21)30-20)15-7-11-17(27)12-8-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1","","2015-05-07","2020-06-01","2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2016-05-04"],["A7X","4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid","C17 H14 N2 O3","CN1C(=O)C(=Cc2ccc(cc2)C(O)=O)c3ccc(N)cc13;CN1c2cc(ccc2C(=Cc3ccc(cc3)C(=O)O)C1=O)N","InChI=1S/C17H14N2O3/c1-19-15-9-12(18)6-7-13(15)14(16(19)20)8-10-2-4-11(5-3-10)17(21)22/h2-9H,18H2,1H3,(H,21,22)/b14-8+","(E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid","2021-11-25","2022-11-25","4-[(~{E})-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid","2022-11-30"],["A7Y","N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide","C29 H28 Cl N3 O2","c5(ccc(CN1CC(CC1)N(C)C(c4c2ccccc2nc(c3cc(ccc3)OC)c4)=O)cc5)Cl;COc1cccc(c1)c2cc(C(=O)N(C)[CH]3CCN(C3)Cc4ccc(Cl)cc4)c5ccccc5n2;CN(C1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC","InChI=1S/C29H28ClN3O2/c1-32(23-14-15-33(19-23)18-20-10-12-22(30)13-11-20)29(34)26-17-28(21-6-5-7-24(16-21)35-2)31-27-9-4-3-8-25(26)27/h3-13,16-17,23H,14-15,18-19H2,1-2H3/t23-/m1/s1","","2017-07-10","2017-08-11","N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide","2017-08-16"],["OBD","4-methyl-N-({1-[(2S)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide","C25 H23 N5 O3","O=C(N=O)CC(n1nnc(c1)CNC(=O)c2ccc(cc2)C)Cc4cc3ccccc3cc4;Cc1ccc(cc1)C(=O)NCc2cn(nn2)[CH](CC(=O)N=O)Cc3ccc4ccccc4c3;Cc1ccc(cc1)C(=O)NCc2cn(nn2)C(Cc3ccc4ccccc4c3)CC(=O)N=O","InChI=1S/C25H23N5O3/c1-17-6-9-20(10-7-17)25(32)26-15-22-16-30(29-27-22)23(14-24(31)28-33)13-18-8-11-19-4-2-3-5-21(19)12-18/h2-12,16,23H,13-15H2,1H3,(H,26,32)/t23-/m0/s1","","2011-03-22","2013-08-23","4-methyl-N-({1-[(2S)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide","2013-08-28"],["A7Z","4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate","C19 H15 F N2 O4 S","S(=O)(F)(=O)Oc1ccc(cc1)c2n(CC#C)cnc2c3cc(ccc3)OC;COc1cccc(c1)c2ncn(CC#C)c2c3ccc(O[S](F)(=O)=O)cc3;COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F","InChI=1S/C19H15FN2O4S/c1-3-11-22-13-21-18(15-5-4-6-17(12-15)25-2)19(22)14-7-9-16(10-8-14)26-27(20,23)24/h1,4-10,12-13H,11H2,2H3","","2017-01-25","2024-09-27","4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate","2018-01-17"],["OBE","3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID","C16 H19 N O5","[O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2;C[NH+]1[CH]2CC[CH]1[CH]([CH](C2)OC(=O)c3cccc(O)c3)C([O-])=O;C[NH+]1C2CCC1C(C(C2)OC(=O)c3cccc(c3)O)C(=O)[O-]","InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1","META-OXYBENZOYLECGONINE","2003-11-20","2021-03-01","(1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate",""],["OBF","(2S)-2-amino-4,4-difluorobutanoic acid","C4 H7 F2 N O2","FC(F)CC(N)C(=O)O;N[CH](CC(F)F)C(O)=O;C(C(C(=O)O)N)C(F)F","InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1","","2008-03-14","2024-09-27","(2S)-2-amino-4,4-difluorobutanoic acid",""],["A80","4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid","C22 H25 N O3","O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(CCC3(C)C)(C)C;CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12;CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C","InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)","","1999-07-08","2011-09-26","4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid",""],["OBG","6-(benzyloxy)-9H-purin-2-amine","C12 H11 N5 O","Nc1nc2[nH]cnc2c(OCc3ccccc3)n1;c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N","InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)","o6-benzylguanine","2010-01-06","2021-03-01","6-phenylmethoxy-9H-purin-2-amine",""],["A81","6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)","C15 H7 Br2 N9 O4","C2=NC1=C(C(NN1C=C2c5c([N+]([O-])=O)c(C=3C=NC=4N(C=3)NC(C=4Br)=O)nn5)=O)Br;[O-][N+](=O)c1c([nH]nc1C2=CN3NC(=O)C(=C3N=C2)Br)C4=CN5NC(=O)C(=C5N=C4)Br;C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-]","InChI=1S/C15H7Br2N9O4/c16-7-12-18-1-5(3-24(12)22-14(7)27)9-11(26(29)30)10(21-20-9)6-2-19-13-8(17)15(28)23-25(13)4-6/h1-4H,(H,20,21)(H,22,27)(H,23,28)","","2017-07-11","2018-07-13","6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)","2018-07-18"],["OBH","cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C24 H22 O6 S","c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(=O)OC5C=CCC=C5;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)OC4C=CCC=C4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O","InChI=1S/C24H22O6S/c25-17-10-6-15(7-11-17)22-20-14-21(31(27,28)30-19-4-2-1-3-5-19)24(29-20)23(22)16-8-12-18(26)13-9-16/h2-13,19-21,24-26H,1,14H2/t20-,21+,24+/m0/s1","","2015-05-05","2020-06-01","cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2015-09-09"],["A82","2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid","C22 H24 N4 O4","O=C(O)c1ccccc1NC(C=4C3=NC(N2CCOCC2)=CC(=O)N3C=C(C=4)C)C;C[CH](Nc1ccccc1C(O)=O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C;CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)Nc3ccccc3C(=O)O)N4CCOCC4","InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1","","2014-06-30","2014-10-17","2-({(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid","2014-10-22"],["A83","TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE","C37 H48 N6 O7 S","O=C(OC(C)(C)C)NCc1ccc(cc1)C(=O)NCc2nnn(c2)C(C(O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)Cc4ccccc4;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)n3cc(CNC(=O)c4ccc(CNC(=O)OC(C)(C)C)cc4)nn3;CC(C)CN(CC(C(Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1","","2005-05-17","2011-06-04","tert-butyl {4-[({1-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]benzyl}carbamate",""],["OBI","1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME","C14 H16 N4 O3","ON=Cc1cc[n+](cc1)COC[n+]2ccc(C=NO)cc2;ON=Cc1cc[n+](COC[n+]2ccc(cc2)C=NO)cc1;c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO","InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2","","2006-05-15","2011-06-04","1,1'-(oxydimethanediyl)bis{4-[(E)-(hydroxyimino)methyl]pyridinium}",""],["OBJ","2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide","C10 H11 Cl2 N O2 S","C(CNC(=O)COc1cc(c(cc1)Cl)Cl)S;SCCNC(=O)COc1ccc(Cl)c(Cl)c1;c1cc(c(cc1OCC(=O)NCCS)Cl)Cl","InChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)","","2019-06-20","2024-09-27","2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide","2024-01-17"],["A84","2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID","C22 H25 F N2 O4 S","Fc1ccc(c(C=C/CN(C)C)c1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3;CN(C)CC=Cc1cc(F)ccc1[S](=O)(=O)Nc2ccc3CCCCc3c2C(O)=O;CN(C)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F","InChI=1S/C22H25FN2O4S/c1-25(2)13-5-7-16-14-17(23)10-12-20(16)30(28,29)24-19-11-9-15-6-3-4-8-18(15)21(19)22(26)27/h5,7,9-12,14,24H,3-4,6,8,13H2,1-2H3,(H,26,27)/b7-5-","","2005-03-04","2011-06-04","2-[({2-[(1Z)-3-(dimethylamino)prop-1-en-1-yl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid",""],["A85","N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE","C44 H56 F2 N8 O6","O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(F)(F)C(O)(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1ccccn1)C(=O)N[CH](Cc2ccccc2)C(O)(O)C(F)(F)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)N(C)Cc4ccccn4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4","InChI=1S/C44H56F2N8O6/c1-29(2)37(51-41(57)53(5)27-33-21-13-15-23-47-33)39(55)49-35(25-31-17-9-7-10-18-31)43(45,46)44(59,60)36(26-32-19-11-8-12-20-32)50-40(56)38(30(3)4)52-42(58)54(6)28-34-22-14-16-24-48-34/h7-24,29-30,35-38,59-60H,25-28H2,1-6H3,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t35-,36-,37-,38-/m0/s1","","1999-07-08","2011-06-04","(2S,2'S)-N,N'-[(2S,5S)-3,3-difluoro-4,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)",""],["OBK","7-ethoxy-7-oxidanylidene-heptanoic acid","C9 H16 O4","CCOC(=O)CCCCCC(O)=O;CCOC(=O)CCCCCC(=O)O","InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)","pimelic acid monoethyl ester","2023-01-29","2024-01-12","7-ethoxy-7-oxidanylidene-heptanoic acid","2024-01-17"],["OBL","5-Methoxybenzimidazolyl-norcobamide","C60 H85 Co N13 O15 P","COc1ccc2n(cnc2c1)[CH]3O[CH](CO)[CH](O[P](O)(=O)OCCNC(=O)CC[C]4(C)[CH](CC(N)=O)[CH]5[N+]6=C4C(=C7[CH](CCC(N)=O)C(C)(C)C8=[N+]7[Co]69[N]%10C(=C(C)C%11=[N+]9C(=C8)[CH](CCC(N)=O)[C]%11(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]5%10C)C)[CH]3O;CC1=C2C(C(C3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1C(C8CCC(=O)N)(C)CC(=O)N)C(C7CCC(=O)N)(C)C)C)C(C(C36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)OC9C(OC(C9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N","InChI=1S/C60H86N13O15P.Co/c1-29-48-33(12-16-42(62)76)56(3,4)40(70-48)24-36-32(11-15-41(61)75)58(6,25-45(65)79)53(69-36)30(2)49-34(13-17-43(63)77)59(7,26-46(66)80)60(8,72-49)54-35(23-44(64)78)57(5,52(29)71-54)19-18-47(81)67-20-21-86-89(83,84)88-51-39(27-74)87-55(50(51)82)73-28-68-37-22-31(85-9)10-14-38(37)73;/h10,14,22,24,28,32-35,39,50-51,54-55,74,82H,11-13,15-21,23,25-27H2,1-9H3,(H15,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,83,84);/q;+4/p-1/t32-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;/m1./s1","","2016-11-07","2017-07-07","","2017-07-12"],["A86","(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-\nyl acetate","C42 H58 O6","CC(=C/C=C/C=C(/C=C/C=C(C)C(=O)CC12C(C)(CC(O)CC1(C)O2)C)C)[C@H]=C[C@H]=C([C@H]=C=C3C(C)(C)CC(CC3(O)C)OC(=O)C)C;CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O)C1;CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C","InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1","Fucoxanthin","2018-10-17","2020-06-17","(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate","2019-02-06"],["A87","3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol","C23 H36 N2 O","CCCCN(CCC1CCCCCC1)CCc2c[nH]c3cc(O)ccc23;CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3","InChI=1S/C23H36N2O/c1-2-3-14-25(15-12-19-8-6-4-5-7-9-19)16-13-20-18-24-23-17-21(26)10-11-22(20)23/h10-11,17-19,24,26H,2-9,12-16H2,1H3","","2021-01-25","2022-02-25","3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol","2022-03-02"],["OBM","4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C24 H19 Br O6 S","c1(ccc(cc1)C2=C(C3C(CC2O3)S(Oc4ccc(cc4)Br)(=O)=O)c5ccc(cc5)O)O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O","InChI=1S/C24H19BrO6S/c25-16-5-11-19(12-6-16)31-32(28,29)21-13-20-22(14-1-7-17(26)8-2-14)23(24(21)30-20)15-3-9-18(27)10-4-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1","","2015-05-07","2016-04-29","4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2016-05-04"],["OBN","OUABAIN","C29 H44 O12","O=C1OCC(=C1)C4CCC5(O)C3CCC6(O)CC(OC2OC(C(O)C(O)C2O)C)CC(O)C6(CO)C3C(O)CC45C;C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O","InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1","","1999-07-08","2011-06-04","(1alpha,3beta,5beta,11alpha,17alpha)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide",""],["A88","(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE","C34 H37 N3 O6","O=C1N(C(C(O)CN(N1Cc2ccc(O)c(OC)c2)Cc3ccccc3)Cc4ccccc4)Cc5ccc(O)c(OC)c5;COc1cc(CN2[CH](Cc3ccccc3)[CH](O)CN(Cc4ccccc4)N(Cc5ccc(O)c(OC)c5)C2=O)ccc1O;COc1cc(ccc1O)CN2C(C(CN(N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5","InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1","A-98881","1999-07-07","2021-03-01","(5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1,2,4-triazepan-3-one",""],["OBO","2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide","C14 H11 Cl N4 O","Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12;Clc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3","InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20)","","2023-08-17","2023-11-03","2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide","2023-11-08"],["A89","N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide","C30 H31 Br F2 I N4 O7 P","Brc3ccc(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=O)c1cccc(I)c1)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)cc3C;Cc1cc(ccc1Br)C(=O)N[CH](Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)C(=O)N[CH](CCCNC(=O)c3cccc(I)c3)C(N)=O;Cc1cc(ccc1Br)C(=O)NC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)NC(CCCNC(=O)c3cccc(c3)I)C(=O)N","InChI=1S/C30H31BrF2IN4O7P/c1-17-14-20(9-12-23(17)31)28(41)38-25(15-18-7-10-21(11-8-18)30(32,33)46(43,44)45)29(42)37-24(26(35)39)6-3-13-36-27(40)19-4-2-5-22(34)16-19/h2,4-5,7-12,14,16,24-25H,3,6,13,15H2,1H3,(H2,35,39)(H,36,40)(H,37,42)(H,38,41)(H2,43,44,45)/t24-,25-/m0/s1","","2012-08-10","2012-10-26","N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide","2012-10-26"],["A8A","4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid","C29 H28 O10 Se2","COc1cc2[se]c(cc2cc1OCCCOc3cc4cc([se]c4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O;COc1cc2c(cc1OCCCOc3cc4cc([se]c4cc3OC)C(=O)CCC(=O)O)cc([se]2)C(=O)CCC(=O)O","InChI=1S/C29H28O10Se2/c1-36-20-14-24-16(12-26(40-24)18(30)4-6-28(32)33)10-22(20)38-8-3-9-39-23-11-17-13-27(19(31)5-7-29(34)35)41-25(17)15-21(23)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)","","2022-03-16","2023-03-17","4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid","2023-03-22"],["OBP","2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID","C12 H10 O3 S","O=S(O)c2c(c1ccccc1O)cccc2;Oc1ccccc1c2ccccc2[S](O)=O;c1ccc(c(c1)c2ccccc2S(=O)O)O","InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)","2'-HYDROXYBIPHENYL-2-SULFINIC ACID","2004-10-15","2021-03-01","2'-hydroxybiphenyl-2-sulfinic acid",""],["OBQ","(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one","C21 H22 N2 O6","COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34;CN1CCc2cc3c(c(c2C1C4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3","InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1","","2020-02-26","2020-07-17","(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one","2020-07-22"],["A8B","N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE","C30 H36 N4","n2c1c(cccc1)c(cc2)NCCCCCCCCNc3c5c(nc4c3CCCC4)cccc5;C(CCCCNc1c2CCCCc2nc3ccccc13)CCCNc4ccnc5ccccc45;c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5","InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)","TACRINE(8)-4-AMINOQUINOLINE","2003-02-15","2020-06-17","N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine",""],["A8C","3-(methylsulfanyl)propanoic acid","C4 H8 O2 S","CSCCC(=O)O;CSCCC(O)=O;CSCCC(=O)O","InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)","","2018-10-18","2019-06-28","3-(methylsulfanyl)propanoic acid","2019-07-03"],["OBR","(4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine","C13 H11 F5 N4 S","FS(F)(F)(F)(F)c1ccc(cc1)Nc1cc(C)nc2nccn12;Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3ccnc3n1;Cc1cc(n2ccnc2n1)Nc3ccc(cc3)S(F)(F)(F)(F)F","InChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3","","2022-04-27","2022-12-23","(4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine","2022-12-28"],["OBS","(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE","C16 H26 N2 O7 S","O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(CCC(=O)O)C1)CC(=O)O;N[CH](CCCCN=C1C[S](=O)C[CH](CCC(O)=O)[CH]1CC(O)=O)C(O)=O;C1C(C(C(=NCCCCC(C(=O)O)N)CS1=O)CC(=O)O)CCC(=O)O","InChI=1S/C16H26N2O7S/c17-12(16(23)24)3-1-2-6-18-13-9-26(25)8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+,26+/m1/s1","2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID","2005-09-11","2024-09-27","(E)-N~6~-[(1S,4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-oxidodihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine",""],["A8D","5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide","C11 H12 N2 O4 S","COc1ccc2nc(cc2c1)C(=O)NS(C)(=O)=O;COc1ccc2[nH]c(cc2c1)C(=O)N[S](C)(=O)=O;COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C","InChI=1S/C11H12N2O4S/c1-17-8-3-4-9-7(5-8)6-10(12-9)11(14)13-18(2,15)16/h3-6,12H,1-2H3,(H,13,14)","","2009-08-27","2015-09-24","5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide",""],["OBT","(1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","C26 H21 Cl F3 N O5 S","c1c(O)ccc(c1)C3=C(c2ccc(cc2)O)C4CC(C3O4)S(N(CC(F)(F)F)c5ccc(cc5)Cl)(=O)=O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F)(F)F)c4ccc(Cl)cc4)c5ccc(O)cc5;c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O","InChI=1S/C26H21ClF3NO5S/c27-17-5-7-18(8-6-17)31(14-26(28,29)30)37(34,35)22-13-21-23(15-1-9-19(32)10-2-15)24(25(22)36-21)16-3-11-20(33)12-4-16/h1-12,21-22,25,32-33H,13-14H2/t21-,22+,25+/m0/s1","","2015-05-29","2016-05-27","(1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide","2016-06-01"],["A8E","(2S)-2-amino-4-bromopent-4-enoic acid","C5 H8 Br N O2","BrC(=C)CC(N)C(=O)O;N[CH](CC(Br)=C)C(O)=O;C=C(CC(C(=O)O)N)Br","InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1","","2011-06-24","2024-09-27","(2S)-2-amino-4-bromopent-4-enoic acid",""],["A8F","1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one","C19 H23 Cl N2 O","O=C(c1c(n(c(c1)C)c2ccc(cc2)Cl)C)CN3CCCCC3;Cc1cc(c(C)n1c2ccc(Cl)cc2)C(=O)CN3CCCCC3;Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3","InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3","","2018-10-19","2018-12-07","1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one","2018-12-12"],["OBV","12,18-DIDECARBOXY-SIROHEME","C40 H44 Fe N4 O12","O=C(O)CCC=1C=6[N+]3=C(C=1C)C=C8N5C(=CC7=[N+]4C(=Cc2c(c(c(n2[Fe]345)C=6)CCC(=O)O)C)C(CCC(=O)O)C7(C)CC(=O)O)C(CCC(=O)O)C8(C)CC(=O)O;Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe]56N7C(=CC8=[N+]5C(=Cc1n26)[CH](CCC(O)=O)[C]8(C)CC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O)=O)C7=C4)CCC(O)=O;Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)C(C5CCC(=O)O)(C)CC(=O)O)C(C3CCC(=O)O)(C)CC(=O)O","InChI=1S/C40H46N4O12.Fe/c1-19-21(5-9-33(45)46)27-14-28-22(6-10-34(47)48)20(2)26(42-28)15-31-40(4,18-38(55)56)24(8-12-36(51)52)30(44-31)16-32-39(3,17-37(53)54)23(7-11-35(49)50)29(43-32)13-25(19)41-27;/h13-16,23-24H,5-12,17-18H2,1-4H3,(H8,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56);/q;+4/p-2/t23-,24-,39-,40-;/m0./s1","","2014-05-23","2019-09-04","{3,3',3'',3'''-[(7R,8S,12R,13S)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}iron(2+)","2014-06-11"],["OBW","2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid","C16 H10 N2 O2 S3","OC(=O)CSc1ncnc2cc(sc12)c3sc4ccccc4c3;c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O","InChI=1S/C16H10N2O2S3/c19-14(20)7-21-16-15-10(17-8-18-16)6-13(23-15)12-5-9-3-1-2-4-11(9)22-12/h1-6,8H,7H2,(H,19,20)","","2020-02-27","2020-03-06","2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid","2020-03-11"],["A8G","(2S)-oxetane-2-carboxylic acid","C4 H6 O3","O=C(O)C1CCO1;OC(=O)[CH]1CCO1;C1COC1C(=O)O","InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)/t3-/m0/s1","","2021-11-08","2022-01-14","(2S)-oxetane-2-carboxylic acid","2022-01-19"],["OBX","[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C14 H27 N7 O7 P","NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1c[n+](c(nc1N)NCCCCNC(=N)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1","agmatidine","2023-01-30","2024-03-29","[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2024-04-03"],["A8H","(3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione","C14 H15 N O2","O=C1NC(=O)[CH]2C[CH](CC[CH]12)c3ccccc3;c1ccc(cc1)C2CCC3C(C2)C(=O)NC3=O","InChI=1S/C14H15NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16,17)/t10-,11-,12+/m0/s1","","2017-08-16","2017-10-27","(3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione","2017-11-01"],["A8I","3-benzoylbenzoic acid","C14 H10 O3","OC(=O)c1cccc(c1)C(=O)c2ccccc2;c1ccc(cc1)C(=O)c2cccc(c2)C(=O)O","InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)","3-(phenylcarbonyl)benzoic acid; benzophenone-3-carboxylic acid; 3-carboxybenzophenone","2021-11-25","2022-10-21","3-(phenylcarbonyl)benzoic acid","2022-10-26"],["OBY","5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide","C18 H16 N2 O2 S2","N(C1CC1)C(=O)c2ccc(s2)c3cccc4sc(cc34)NC(C)=O;CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c1;CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4","InChI=1S/C18H16N2O2S2/c1-10(21)19-17-9-13-12(3-2-4-14(13)24-17)15-7-8-16(23-15)18(22)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,19,21)(H,20,22)","","2019-06-20","2019-07-19","5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide","2019-07-24"],["A8J","tert-butyl 3-ethanoylbenzoate","C13 H16 O3","CC(=O)c1cccc(c1)C(=O)OC(C)(C)C;CC(=O)c1cccc(c1)C(=O)OC(C)(C)C","InChI=1S/C13H16O3/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-8H,1-4H3","317829-73-5","2023-05-16","2024-09-27","~{tert}-butyl 3-ethanoylbenzoate","2024-05-15"],["OBZ","O-benzylhydroxylamine","C7 H9 N O","[(aminooxy)methyl]benzene;NOCc1ccccc1;c1ccc(cc1)CON","InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2","","2008-07-23","2011-06-04","O-benzylhydroxylamine",""],["A8K","4-(4-hydroxyphenyl)sulfanylphenol","C12 H10 O2 S","Oc1ccc(Sc2ccc(O)cc2)cc1;c1cc(ccc1O)Sc2ccc(cc2)O","InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H","","2017-08-17","2017-10-27","4-(4-hydroxyphenyl)sulfanylphenol","2017-11-01"],["OC0","[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron","C9 H13 B N7 O6 S2","O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O;Nc1sc(SCC(=O)N[CH](Cn2cc(nn2)C(O)=O)[B-](O)(O)O)nn1;[B-](C(Cn1cc(nn1)C(=O)O)NC(=O)CSc2nnc(s2)N)(O)(O)O","InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1","","2022-04-27","2024-09-27","[(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-)","2022-12-14"],["OC1","CALCIUM ION, 1 WATER COORDINATED","Ca H2 O","O|[Ca++];[OH2][Ca+2]","InChI=1/Ca.H2O/h;1H2/q+2;/rCaH2O/c1-2/h2H2/q+2","","1999-07-08","2008-10-14","",""],["A8L","1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one","C19 H23 Cl N2 O2","c1c(ccc(c1)n3c(C)cc(C(=O)CN2CCC(CC2)O)c3C)Cl;Cc1cc(c(C)n1c2ccc(Cl)cc2)C(=O)CN3CCC(O)CC3;Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O","InChI=1S/C19H23ClN2O2/c1-13-11-18(19(24)12-21-9-7-17(23)8-10-21)14(2)22(13)16-5-3-15(20)4-6-16/h3-6,11,17,23H,7-10,12H2,1-2H3","","2018-10-19","2018-12-07","1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one","2018-12-12"],["OC2","CALCIUM ION, 2 WATERS COORDINATED","Ca H4 O2","O|[Ca++]|O;[OH2][Ca+2][OH2]","InChI=1/Ca.2H2O/h;2*1H2/q+2;;/rCaH4O2/c2-1-3/h2-3H2/q+2","","1999-07-08","2008-10-14","",""],["A8M","5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine","C15 H25 N7 O3","n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(CCCN)C)N;CN(CCCN)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23;Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CCCN)O)O)N","InChI=1S/C15H25N7O3/c1-8-20-10-13(17)18-7-19-14(10)22(8)15-12(24)11(23)9(25-15)6-21(2)5-3-4-16/h7,9,11-12,15,23-24H,3-6,16H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15-/m1/s1","","2008-07-31","2011-06-04","5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine",""],["A8N","N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE","C21 H33 N3","c2c1c(c3c([nH+]c1ccc2)CCCC3)NCCCCCCCC[NH3+];[NH3+]CCCCCCCCNc1c2CCCCc2[nH+]c3ccccc13;c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+]","InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)/p+2","(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM","2003-12-04","2021-03-13","9-[(8-ammoniooctyl)amino]-1,2,3,4-tetrahydroacridinium",""],["OC3","CALCIUM ION, 3 WATERS COORDINATED","Ca H6 O3","O|[Ca++](|O)|O;[OH2][Ca+2]([OH2])[OH2]","InChI=1/Ca.3H2O/h;3*1H2/q+2;;;/rCaH6O3/c2-1(3)4/h2-4H2/q+2","","1999-07-08","2008-10-14","",""],["OC4","CALCIUM ION, 4 WATERS COORDINATED","Ca H8 O4","O|[Ca++](|O)(|O)|O;[OH2][Ca+2]([OH2])([OH2])[OH2]","InChI=1/Ca.4H2O/h;4*1H2/q+2;;;;/rCaH8O4/c2-1(3,4)5/h2-5H2/q+2","","1999-07-08","2008-10-14","",""],["A8O","4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile","C20 H23 N3 O2","C(N1CCC(CC1)O)C(c2cc(C)n(c2C)c3ccc(C#N)cc3)=O;Cc1cc(c(C)n1c2ccc(cc2)C#N)C(=O)CN3CCC(O)CC3;Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O","InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3","","2018-10-19","2018-12-14","4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile","2018-12-19"],["OC5","CALCIUM ION, 5 WATERS COORDINATED","Ca H10 O5","O|[Ca++](|O)(|O)(|O)|O;[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2]","InChI=1/Ca.5H2O/h;5*1H2/q+2;;;;;/rCaH10O5/c2-1(3,4,5)6/h2-6H2/q+2","","1999-07-14","2008-10-14","",""],["A8P","8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol","C23 H42 N7 O12 P2","O=P(OCC1[NH2+]CC(O)C1O)(O)OP(=O)(O)OCC4OC(n3c(nc2c(ncnc23)N)NCCCCCCCC)C(O)C4O;CCCCCCCCNc1nc2c(N)ncnc2n1[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4[NH2+]C[CH](O)[CH]4O)[CH](O)[CH]3O;CCCCCCCCNc1nc2c(ncnc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C[NH2+]4)O)O)O)O)N","InChI=1S/C23H41N7O12P2/c1-2-3-4-5-6-7-8-25-23-29-16-20(24)27-12-28-21(16)30(23)22-19(34)18(33)15(41-22)11-40-44(37,38)42-43(35,36)39-10-13-17(32)14(31)9-26-13/h12-15,17-19,22,26,31-34H,2-11H2,1H3,(H,25,29)(H,35,36)(H,37,38)(H2,24,27,28)/p+1/t13-,14+,15-,17-,18-,19-,22-/m1/s1","","2012-07-10","2014-09-05","5'-O-[(S)-{[(R)-{[(2R,3R,4S)-3,4-dihydroxypyrrolidinium-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-8-(octylamino)adenosine","2012-12-14"],["A8Q","[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium","C16 H19 Cl N","CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl;CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+]","InChI=1S/C16H18ClN/c1-11(2)13-5-3-4-6-14(13)15-8-7-12(10-18)9-16(15)17/h3-9,11H,10,18H2,1-2H3/p+1","","2017-08-17","2018-02-23","[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium","2018-02-28"],["OC6","CALCIUM ION, 6 WATERS COORDINATED","Ca H12 O6","O|[Ca++](|O)(|O)(|O)(|O)|O;[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/Ca.6H2O/h;6*1H2/q+2;;;;;;/rCaH12O6/c2-1(3,4,5,6)7/h2-7H2/q+2","","1999-07-08","2008-10-14","",""],["OC7","CALCIUM ION, 7 WATERS COORDINATED","Ca H14 O7","O|[Ca++](|O)(|O)(|O)(|O)(|O)|O;[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/Ca.7H2O/h;7*1H2/q+2;;;;;;;/rCaH14O7/c2-1(3,4,5,6,7)8/h2-8H2/q+2","","1999-07-08","2008-10-14","",""],["A8R","(2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid","C33 H37 Cl N2 O4","CC(C)(C)c1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OC(C)C(=O)O)c1)c(C)c2C;C[CH](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[CH](C)C(O)=O)c3)c(C)c(C)c2c1)c4ccc(cc4)C(C)(C)C;Cc1c(n(c2c1cc(cc2)C(=O)NC(C)c3ccc(cc3)C(C)(C)C)Cc4ccc(c(c4)OC(C)C(=O)O)Cl)C","InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1","","2021-11-08","2022-12-23","(2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid","2022-12-28"],["A8S","(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid","C15 H20 O4","O=C(O)C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C;CC(C=C[C]1(O)C(=CC(=O)CC1(C)C)C)=CC(O)=O;CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C","InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1","(+)-abscisic acid; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid","2009-09-10","2021-03-13","(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid",""],["OC8","CALCIUM ION, 8 WATERS COORDINATED","Ca H16 O8","O|[Ca++](|O)(|O)(|O)(|O)(|O)(|O)|O;[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/Ca.8H2O/h;8*1H2/q+2;;;;;;;;/rCaH16O8/c2-1(3,4,5,6,7,8)9/h2-9H2/q+2","","2004-03-10","2008-10-14","",""],["OC9","OCTAN-1-OL","C8 H18 O","OCCCCCCCC;CCCCCCCCO;CCCCCCCCO","InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3","","2005-05-16","2011-06-04","octan-1-ol",""],["A8T","2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol","C27 H29 N5 O","n1cc(ccc1N5CCN(c3nnc(c2c3cccc2)Cc4ccccc4)CC5)C(O)(C)C;CC(C)(O)c1ccc(nc1)N2CCN(CC2)c3nnc(Cc4ccccc4)c5ccccc35;CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O","InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3","","2014-06-19","2014-07-18","2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol","2014-07-23"],["OCA","OCTANOIC ACID (CAPRYLIC ACID)","C8 H16 O2","O=C(O)CCCCCCC;CCCCCCCC(O)=O;CCCCCCCC(=O)O","InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)","","1999-07-08","2026-02-06","octanoic acid",""],["A8U","propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate","C28 H32 N4 O3","CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(N)CC5;CCCOC(=O)N1CCN(CC1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N","InChI=1S/C28H32N4O3/c1-3-16-35-27(34)32-15-14-31(18-19(32)2)26(33)22-5-4-21-8-11-24(30-25(21)17-22)20-6-9-23(10-7-20)28(29)12-13-28/h4-11,17,19H,3,12-16,18,29H2,1-2H3/t19-/m1/s1","","2018-10-20","2019-08-09","propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate","2019-08-14"],["A8V","(1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol","C16 H24 O3","OC(CCO)c2cc(OCC1CCCCC1)ccc2;OCC[CH](O)c1cccc(OCC2CCCCC2)c1;c1cc(cc(c1)OCC2CCCCC2)C(CCO)O","InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m0/s1","","2015-04-27","2015-05-22","(1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol","2015-05-27"],["OCB","OCTANOYLCARNITINE","C15 H30 N O4","O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C;CCCCCCCC(=O)O[CH](CC(O)=O)C[N+](C)(C)C;CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C","InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1","3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM","2004-10-12","2020-06-17","(2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium",""],["OCC","2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3","C30 H50 O5","O(CCCO)C3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](OCCCO)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C","InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28+,30-/m1/s1","9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E)","2006-06-19","2021-03-13","(1R,2S,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["A8W","Pregnenolone sulfate","C21 H32 O5 S","CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](O)(=O)=O;CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C","InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1","pregn-5-en-3beta-ol-20-one-3beta-sulfate","2017-08-17","2020-06-17","[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate","2017-10-11"],["A8X","3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid","C21 H21 F N2 O4 S","OC(=O)CCn1c2CC[CH](Cc2c3ccccc13)N[S](=O)(=O)c4ccc(F)cc4;c1ccc2c(c1)c3c(n2CCC(=O)O)CCC(C3)NS(=O)(=O)c4ccc(cc4)F","InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1","Ramatroban","2018-10-23","2020-06-17","3-[(3~{R})-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid","2018-12-19"],["OCD","octadecanal","C18 H36 O","C(CCCCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCCCC=O;CCCCCCCCCCCCCCCCCC=O","InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3","","2016-07-29","2024-09-27","octadecanal","2017-03-15"],["A8Z","Tetrahydrodeoxycorticosterone","C21 H34 O3","C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C)CC[CH]23;CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O","InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1","","2017-08-17","2017-10-06","1-[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone","2017-10-11"],["OCE","octanedioic acid","C8 H14 O4","O=C(O)CCCCCCC(=O)O;OC(=O)CCCCCCC(O)=O;C(CCCC(=O)O)CCC(=O)O","InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)","","2010-05-26","2024-09-27","octanedioic acid",""],["OCF","3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid","C11 H15 N2 O8 P","Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(=O)O)O","InChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+","PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid","2022-09-04","2022-11-11","3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid","2022-11-16"],["A90","2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid","C16 H16 Cl N O4 S","OC(=O)Cc1ccc(CCN[S](=O)(=O)c2ccc(Cl)cc2)cc1;c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O","InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)","Daltroban","2018-10-23","2020-06-17","2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid","2018-12-19"],["OCG","5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide","C21 H18 N6 O3","O=C(c3ccc(c(NC(=O)c1c(N)n(nc1)c2ccccc2)c3)C)Nc4nocc4;Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4;Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4","InChI=1S/C21H18N6O3/c1-13-7-8-14(20(28)25-18-9-10-30-26-18)11-17(13)24-21(29)16-12-23-27(19(16)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3,(H,24,29)(H,25,26,28)","","2010-08-12","2011-06-04","5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenyl-1H-pyrazole-4-carboxamide",""],["A91","3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE","C17 H15 N5 O2","O=C3OC=CN3NCc2ccccc2C#Cc1nc(nc(c1)C)N;Cc1cc(nc(N)n1)C#Cc2ccccc2CNN3C=COC3=O;Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O","InChI=1S/C17H15N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-5,8-10,19H,11H2,1H3,(H2,18,20,21)","","2007-07-05","2011-06-04","3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one",""],["OCH","QUINOLIN-2(1H)-ONE","C9 H7 N O","O=C2C=Cc1c(cccc1)N2;O=C1Nc2ccccc2C=C1;c1ccc2c(c1)C=CC(=O)N2","InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)","2-OXOQUINOLINE","2005-03-17","2021-03-01","quinolin-2(1H)-one",""],["A92","2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide","C19 H19 F N4 O","NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3F)[CH]4CCCCN4;c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)C4CCCCN4)C(=O)N","InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1","","2010-01-21","2011-06-04","2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-3H-benzimidazole-4-carboxamide",""],["OCI","2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide","C14 H15 Cl N4 O3 S","O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O)cc(Cl)c1;Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[S](N)(=O)=O)c2;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NS(=O)(=O)N","InChI=1S/C14H15ClN4O3S/c1-9-2-3-17-8-13(9)18-14(20)6-10-4-11(15)7-12(5-10)19-23(16,21)22/h2-5,7-8,19H,6H2,1H3,(H,18,20)(H2,16,21,22)","","2023-08-17","2023-11-03","2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["A93","4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate","C23 H19 F O3","Fc3ccc(OC(=O)c1cccc(c1)C=Cc2cc(c(O)c(c2)C)C)cc3;Cc1cc(C=Cc2cccc(c2)C(=O)Oc3ccc(F)cc3)cc(C)c1O;Cc1cc(cc(c1O)C)C=Cc2cccc(c2)C(=O)Oc3ccc(cc3)F","InChI=1S/C23H19FO3/c1-15-12-18(13-16(2)22(15)25)7-6-17-4-3-5-19(14-17)23(26)27-21-10-8-20(24)9-11-21/h3-14,25H,1-2H3/b7-6+","(E)-4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate","2009-06-26","2024-09-27","4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate",""],["A94","N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE","C17 H19 N5 O4 S","O=S(=O)(NCc1nc(nc(c1)C)N)c3cc(NC=C2C(=O)OCC2)ccc3;Cc1cc(CN[S](=O)(=O)c2cccc(NC=C3CCOC3=O)c2)nc(N)n1;Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)NC=C3CCOC3=O","InChI=1S/C17H19N5O4S/c1-11-7-14(22-17(18)21-11)10-20-27(24,25)15-4-2-3-13(8-15)19-9-12-5-6-26-16(12)23/h2-4,7-9,19-20H,5-6,10H2,1H3,(H2,18,21,22)/b12-9+","","2007-07-05","2011-06-04","N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(E)-(2-oxodihydrofuran-3(2H)-ylidene)methyl]amino}benzenesulfonamide",""],["OCJ","4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide","C21 H17 N3 O2 S2","N(Cc1cccc(c1)N)C(=O)c2sc(cc2)c3cccc4c3cc(s4)C(N)=O;NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4cccc(N)c4)c2c1;c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N","InChI=1S/C21H17N3O2S2/c22-13-4-1-3-12(9-13)11-24-21(26)18-8-7-17(27-18)14-5-2-6-16-15(14)10-19(28-16)20(23)25/h1-10H,11,22H2,(H2,23,25)(H,24,26)","","2019-06-20","2019-07-19","4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide","2019-07-24"],["OCK","(3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione","C15 H20 N2 O2","CCC[C]1(C)N(CC)C(=O)c2ccccc2NC1=O;CCCC1(C(=O)Nc2ccccc2C(=O)N1CC)C","InChI=1S/C15H20N2O2/c1-4-10-15(3)14(19)16-12-9-7-6-8-11(12)13(18)17(15)5-2/h6-9H,4-5,10H2,1-3H3,(H,16,19)/t15-/m1/s1","","2020-02-27","2021-01-29","(3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione","2021-02-03"],["A95","N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide","C25 H26 N2 O5","COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3;COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4","InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29)","JW55 Inhibitor","2015-08-24","2020-06-17","N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide","2016-01-13"],["A96","6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide","C19 H11 Cl F3 N5 O2","FC(F)(F)c1cc(ccc1)Nc3noc2c(c(Cl)ccc23)C(=O)Nc4cncnc4;FC(F)(F)c1cccc(Nc2noc3c2ccc(Cl)c3C(=O)Nc4cncnc4)c1;c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F","InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)","","2008-07-18","2011-06-04","6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide",""],["OCL","COBALT ION, 1 WATER COORDINATED","Co H2 O","O|[Co++];[OH2][Co+2]","InChI=1/Co.H2O/h;1H2/q+2;/rCoH2O/c1-2/h2H2/q+2","","1999-07-08","2008-10-14","",""],["OCM","COBALT ION, 3 WATERS COORDINATED","Co H6 O3","O|[Co++](|O)|O;[OH2][Co+2]([OH2])[OH2]","InChI=1/Co.3H2O/h;3*1H2/q+2;;;/rCoH6O3/c2-1(3)4/h2-4H2/q+2","","1999-07-08","2008-10-14","",""],["A97","N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide","C31 H39 N7 O2","c4(c2ccnc(N1CCN(CC1)C)c2)cc(C(NCC3=C(CCC)C=C(NC3=O)C)=O)c5c(c4)n(C(C)C)nc5;CCCC1=C(CNC(=O)c2cc(cc3n(ncc23)C(C)C)c4ccnc(c4)N5CCN(C)CC5)C(=O)NC(=C1)C;CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C","InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)","","2017-07-12","2018-06-22","N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide","2018-06-27"],["OCN","COBALT ION, 2 WATERS COORDINATED","Co H4 O2","O|[Co++]|O;[OH2][Co+2][OH2]","InChI=1/Co.2H2O/h;2*1H2/q+2;;/rCoH4O2/c2-1-3/h2-3H2/q+2","","1999-07-08","2008-10-14","",""],["A98","methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate","C6 H9 N3 O2 S2","CCSc1sc(NC(=O)OC)nn1;CCSc1nnc(s1)NC(=O)OC","InChI=1S/C6H9N3O2S2/c1-3-12-6-9-8-4(13-6)7-5(10)11-2/h3H2,1-2H3,(H,7,8,10)","","2017-08-17","2017-10-27","methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate","2017-11-01"],["A99","5'-O-[(S)-hydroxy{[(R)-hydroxy({(S)-hydroxy[(1S)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine","C18 H23 N6 O15 P3","[O-][N+](=O)c1ccccc1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O)C;C[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccccc4[N+]([O-])=O;CC(c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H23N6O15P3/c1-9(10-4-2-3-5-11(10)24(27)28)37-41(31,32)39-42(33,34)38-40(29,30)35-6-12-14(25)15(26)18(36-12)23-8-22-13-16(19)20-7-21-17(13)23/h2-5,7-9,12,14-15,18,25-26H,6H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,20,21)/t9-,12+,14+,15+,18+/m0/s1","","2011-05-19","2012-05-25","5'-O-[(S)-hydroxy{[(R)-hydroxy({(S)-hydroxy[(1S)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine",""],["OCO","COBALT ION,6 WATERS COORDINATED","Co H12 O6","O|[Co+3](|O)(|O)(|O)(|O)|O;[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2]","InChI=1/Co.6H2O/h;6*1H2/q+3;;;;;;/rCoH12O6/c2-1(3,4,5,6)7/h2-7H2/q+3","","1999-07-08","2008-10-14","",""],["OCP","OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER","C29 H59 N2 O7 P","O=P(O)(OCC(OC(=O)NCCCCCCCC)COC(=O)NCCCCCCCC)CCCCCCCC;CCCCCCCCNC(=O)OC[CH](CO[P](O)(=O)CCCCCCCC)OC(=O)NCCCCCCCC;CCCCCCCCNC(=O)OCC(COP(=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC","InChI=1S/C29H59N2O7P/c1-4-7-10-13-16-19-22-30-28(32)36-25-27(38-29(33)31-23-20-17-14-11-8-5-2)26-37-39(34,35)24-21-18-15-12-9-6-3/h27H,4-26H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t27-/m1/s1","","1999-07-08","2024-09-27","(2R)-2,3-bis[(octylcarbamoyl)oxy]propyl hydrogen (S)-octylphosphonate",""],["A9B","5-(4-chlorophenyl)furan-2-carbohydrazide","C11 H9 Cl N2 O2","NNC(=O)c1oc(cc1)c2ccc(Cl)cc2;c1cc(ccc1c2ccc(o2)C(=O)NN)Cl","InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)","","2017-08-17","2017-10-27","5-(4-chlorophenyl)furan-2-carbohydrazide","2017-11-01"],["OCQ","(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE","C8 H14 N2 O3","O=C1NCCC1CC(N)C(=O)CO;N[CH](C[CH]1CCNC1=O)C(=O)CO;C1CNC(=O)C1CC(C(=O)CO)N","InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1","","2007-06-07","2024-09-27","(3S)-3-[(2S)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one",""],["A9C","N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C34 H45 N5 O3","C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4CCCC4NC(=O)C(=CC(C)(C)C)C#N;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(CO[CH]4CCC[CH]4NC(=O)C(=CC(C)(C)C)C#N)c3;CC(C)(C)C=C(C#N)C(=O)NC1CCCC1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C","InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m1/s1","","2018-10-24","2024-09-27","N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2019-10-16"],["A9D","(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate","C14 H21 N3 O7","O=C(N1C(C(=O)OCC(C(=O)O)N)CCC1)C2N(C(=O)O)CCC2;N[CH](COC(=O)[CH]1CCCN1C(=O)[CH]2CCCN2C(O)=O)C(O)=O;C1CC(N(C1)C(=O)C2CCCN2C(=O)O)C(=O)OCC(C(=O)O)N","InChI=1S/C14H21N3O7/c15-8(12(19)20)7-24-13(21)10-4-2-5-16(10)11(18)9-3-1-6-17(9)14(22)23/h8-10H,1-7,15H2,(H,19,20)(H,22,23)/t8-,9-,10-/m0/s1","","2009-09-11","2011-12-12","(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate",""],["OCR","(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid","C20 H30 O3","O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC;CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O;CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O","InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+","15-oxo-eicosatetraenoic acid","2008-03-17","2024-09-27","(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid",""],["OCS","CYSTEINESULFONIC ACID","C3 H7 N O5 S","O=S(=O)(O)CC(C(=O)O)N;N[CH](C[S](O)(=O)=O)C(O)=O;C(C(C(=O)O)N)S(=O)(=O)O","InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1","","1999-07-08","2024-09-27","3-sulfo-L-alanine",""],["A9E","2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone","C15 H21 N O2","CCc1ccc(OCC(=O)N2CCCCC2)cc1;CCc1ccc(cc1)OCC(=O)N2CCCCC2","InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3","","2017-08-17","2017-10-27","2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone","2017-11-01"],["OCT","N-OCTANE","C8 H18","CCCCCCCC;CCCCCCCC;CCCCCCCC","InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3","","1999-07-08","2024-09-27","octane",""],["A9F","N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C34 H45 N5 O3","C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4C(CCC4)NC(=O)C(=CC(C)(C)C)C#N;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(CO[CH]4CCC[CH]4NC(=O)C(=CC(C)(C)C)C#N)c3;CC(C)(C)C=C(C#N)C(=O)NC1CCCC1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C","InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m0/s1","","2018-10-24","2024-09-27","N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2019-10-16"],["A9G","1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide","C31 H38 N6 O2","c3c(c1cnc(cc1)N2CCNCC2)cc5c(c3C(NCC=4C(=O)NC(C)=CC=4C)=O)c(cn5C(CC)C)C;CC[CH](C)n1cc(C)c2c1cc(cc2C(=O)NCC3=C(C)C=C(C)NC3=O)c4ccc(nc4)N5CCNCC5;CCC(C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C","InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1","","2017-07-12","2018-06-22","1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide","2018-06-27"],["OCU","(1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol","C22 H23 N3 O8 S2","O=S(=O)(c1cc(O)c(O)cc1c1ccc(O)c(O)c1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1;Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4;c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O)N","InChI=1S/C22H23N3O8S2/c23-15-2-1-3-16(11-15)34(30,31)24-6-8-25(9-7-24)35(32,33)22-13-21(29)20(28)12-17(22)14-4-5-18(26)19(27)10-14/h1-5,10-13,26-29H,6-9,23H2","","2022-04-27","2023-04-07","(1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol","2023-04-12"],["A9H","Abietic acid","C20 H30 O2","O=C(O)C1(CCCC2(C3C(=CCC12)C=C(CC3)C(C)C)C)C;CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC1;CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C","InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1","","2013-07-22","2016-05-20","(5beta)-abieta-7,13-dien-18-oic acid","2016-05-25"],["OCV","N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE","C14 H24 N2 O7 S","O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS;CC(C)[CH](OC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC(C)C(C(=O)O)OC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1","L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER","2001-04-12","2020-06-17","N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["A9I","Altiratinib","C26 H21 F3 N4 O4","Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3cc(F)c(Oc4ccnc(NC(=O)C5CC5)c4)cc3F)cc1;c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(c4)NC(=O)C5CC5)F)F","InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)","N-1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-N-1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[4-[[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide","2021-11-25","2022-08-22","~{N}1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2022-08-03"],["OCW","Tetracenomycin X","C24 H22 O11","COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC;Cc1c2c(cc3c(c2O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC","InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1","methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate","2020-02-27","2023-10-31","methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate","2020-07-01"],["OCX","(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid","C20 H30 O3","O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O;CCCCCC=CCC=CC=CC(=O)CC=CCCCC(O)=O;CCCCCC=CCC=CC=CC(=O)CC=CCCCC(=O)O","InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13?","8-oxo-eicosatetraenoic acid","2008-03-17","2024-09-27","(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid",""],["A9J","Hexafluorophosphate anion","F6 P","F[P](F)(F)(F)(F)F;FP(F)(F)(F)(F)F","InChI=1S/F6P/c1-7(2,3,4,5)6","","2017-07-13","2018-05-25","","2018-05-30"],["OCY","HYDROXYETHYLCYSTEINE","C5 H11 N O3 S","O=C(O)C(N)CSCCO;N[CH](CSCCO)C(O)=O;C(CSCC(C(=O)O)N)O","InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","S-(2-hydroxyethyl)-L-cysteine",""],["A9K","2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol","C13 H12 Cl N O","NCc1ccc(c(Cl)c1)c2ccccc2O;c1ccc(c(c1)c2ccc(cc2Cl)CN)O","InChI=1S/C13H12ClNO/c14-12-7-9(8-15)5-6-10(12)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2","","2017-08-18","2018-02-23","2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol","2018-02-28"],["A9L","N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide","C22 H24 N2 O7 S","c1(cccc3c1C(N(C(CS(C)(=O)=O)c2cc(c(cc2)OC)OCC)C3=O)=O)NC(C)=O;CCOc1cc(ccc1OC)[CH](C[S](C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O;CCOc1cc(ccc1OC)C(CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C","InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1","","2018-10-25","2021-01-22","N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide","2021-01-27"],["OCZ","(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide","C13 H13 Cl N2 O","Clc1cc2c(cc1)nc3c2CCCC3C(=O)N;NC(=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23;c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N","InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1","","2013-06-24","2014-09-05","(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide","2013-07-17"],["OD0","(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol","C6 H9 F O3","O[CH]1C=C[CH](F)[CH](O)[CH]1O;C1=CC(C(C(C1O)O)O)F","InChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1","","2022-09-05","2024-03-08","(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol","2024-03-13"],["A9M","N-(2-hydroxyethyl)icosanamide","C22 H45 N O2","O=C(NCCO)CCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(=O)NCCO;CCCCCCCCCCCCCCCCCCCC(=O)NCCO","InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)","","2012-06-27","2013-08-02","N-(2-hydroxyethyl)icosanamide","2013-08-07"],["A9N","N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE","C15 H16 N2 O3 S","O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3C=C3;Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3C=C3;Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C","InChI=1S/C15H16N2O3S/c1-9-4-5-12(15-10(2)16-20-11(15)3)8-14(9)21(18,19)17-13-6-7-13/h4-8,13,17H,1-3H3","","2011-11-26","2014-09-05","N-(cycloprop-2-en-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide",""],["OD1","4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide","C17 H17 N3 O2 S2","c1ccc3c(c1c2ccc(C(NCCCN)=O)s2)cc(C(=O)N)s3;NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(N)=O;c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN","InChI=1S/C17H17N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-6,9H,2,7-8,18H2,(H2,19,21)(H,20,22)","","2019-06-20","2019-07-19","4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide","2019-07-24"],["A9O","5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE","C12 H13 N O","n2oc(c(c1ccccc1)c2C)CC;CCc1onc(C)c1c2ccccc2;CCc1c(c(no1)C)c2ccccc2","InChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3","","2011-11-26","2014-09-05","5-ethyl-3-methyl-4-phenyl-1,2-oxazole",""],["OD2","2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid","C15 H12 N2 O2 S3","CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2;CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O","InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)","","2020-02-27","2020-03-06","2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid","2020-03-11"],["OD3","1,3-thiazolidine-2,4-dione","C3 H3 N O2 S","O=C1CSC(=O)N1;C1C(=O)NC(=O)S1","InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)","2,4-Thiazolidinedione","2023-01-31","2023-07-07","1,3-thiazolidine-2,4-dione","2023-07-12"],["A9P","3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE","C11 H11 N O","n2oc(c(c1ccccc1)c2C)C;Cc1onc(C)c1c2ccccc2;Cc1c(c(on1)C)c2ccccc2","InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3","","2011-11-12","2014-09-05","3,5-dimethyl-4-phenyl-1,2-oxazole",""],["OD4","4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid","C17 H16 N2 O3 S2","C(c3ccc(c2c1c(sc(C(=O)O)c1)ccc2)s3)(NCCCN)=O;NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(O)=O;c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN","InChI=1S/C17H16N2O3S2/c18-7-2-8-19-16(20)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)17(21)22/h1,3-6,9H,2,7-8,18H2,(H,19,20)(H,21,22)","","2019-06-20","2019-12-11","4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid","2019-07-24"],["A9Q","3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one","C18 H21 N3 O7 S","COc1ccc(OC)c(CN2Cc3cc(OC)c(O[S](N)(=O)=O)cc3NC2=O)c1;COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC","InChI=1S/C18H21N3O7S/c1-25-13-4-5-15(26-2)12(6-13)10-21-9-11-7-16(27-3)17(28-29(19,23)24)8-14(11)20-18(21)22/h4-8H,9-10H2,1-3H3,(H,20,22)(H2,19,23,24)","","2017-08-18","2017-12-15","[3-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-2-oxidanylidene-1,4-dihydroquinazolin-7-yl] sulfamate","2017-12-20"],["OD5","4,4'-sulfonyldi(benzene-1,2-diol)","C12 H10 O6 S","Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1;Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2;c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O","InChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H","","2022-04-27","2023-04-07","4,4'-sulfonyldi(benzene-1,2-diol)","2023-04-12"],["A9R","7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine","C17 H15 N5 O","n1cc(cn1C)c2cn3c(cnc3cc2OC)c4ncccc4;COc1cc2ncc(n2cc1c3cnn(C)c3)c4ccccn4;Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4","InChI=1S/C17H15N5O/c1-21-10-12(8-20-21)13-11-22-15(14-5-3-4-6-18-14)9-19-17(22)7-16(13)23-2/h3-11H,1-2H3","","2018-10-28","2018-12-07","7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine","2018-12-12"],["OD6","4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine","C16 H14 N2 Se","Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)c3c[se]c(n3)N","InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)","4-(4-Benzylphenyl)-selenazol-2-amine","2022-09-05","2023-04-28","4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine","2023-05-03"],["A9S","(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid","C15 H20 O4","O=C(O)C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C;CC(C=C[C]1(O)C(=CC(=O)CC1(C)C)C)=CC(O)=O;CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C","InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1","","2013-02-27","2013-07-19","(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid","2013-07-24"],["A9T","2-(4-{[1-(4-CHLOROBENZYL)PIPERIDIN-4-YL]METHOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXAMIDE","C27 H27 Cl N4 O2","O=C(N)c1cc2nc(nc2cc1)c5ccc(OCC4CCN(Cc3ccc(Cl)cc3)CC4)cc5;NC(=O)c1ccc2[nH]c(nc2c1)c3ccc(OCC4CCN(CC4)Cc5ccc(Cl)cc5)cc3;c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl","InChI=1S/C27H27ClN4O2/c28-22-6-1-18(2-7-22)16-32-13-11-19(12-14-32)17-34-23-8-3-20(4-9-23)27-30-24-10-5-21(26(29)33)15-25(24)31-27/h1-10,15,19H,11-14,16-17H2,(H2,29,33)(H,30,31)","","2011-11-28","2014-09-05","2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1H-benzimidazole-5-carboxamide","2012-10-05"],["OD7","2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide","C26 H28 N6 O2","COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3)c2c1;COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5)c2c1;COc1ccc2c(c1)n(nn2)CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5","InChI=1S/C26H28N6O2/c1-34-23-9-10-24-25(16-23)32(30-29-24)18-26(33)31(17-21-4-2-3-13-28-21)22-7-5-19(6-8-22)20-11-14-27-15-12-20/h2-10,13,16,20,27H,11-12,14-15,17-18H2,1H3","","2023-08-17","2023-11-03","2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide","2023-11-08"],["OD8","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me\nthoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol","C27 H48 O8","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[CH]12)C(C)C;CC1C2CCC(C2CC3(CCC(C3C(C1O)OC4C(C(C(C(O4)CO)O)O)O)C(C)C)C)COC","InChI=1S/C27H48O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h13-26,28-32H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-,25-,26-,27-/m1/s1","16-OMe-Fusicoccin H","2020-02-27","2021-01-29","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol","2021-02-03"],["A9U","2-{4-[(1-BENZYLPIPERIDIN-4-YL)METHOXY]PHENYL}-1H-BENZIMIDAZOLE-6-CARBOXAMIDE","C27 H28 N4 O2","O=C(N)c1ccc2nc(nc2c1)c5ccc(OCC4CCN(Cc3ccccc3)CC4)cc5;NC(=O)c1ccc2nc([nH]c2c1)c3ccc(OCC4CCN(CC4)Cc5ccccc5)cc3;c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N","InChI=1S/C27H28N4O2/c28-26(32)22-8-11-24-25(16-22)30-27(29-24)21-6-9-23(10-7-21)33-18-20-12-14-31(15-13-20)17-19-4-2-1-3-5-19/h1-11,16,20H,12-15,17-18H2,(H2,28,32)(H,29,30)","","2011-11-28","2014-09-05","2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1H-benzimidazole-6-carboxamide","2012-10-05"],["OD9","(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide","C26 H23 N O8 S","O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1;Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4)cc2)cc1O;c1cc(ccc1Cc2ccc(c(c2)O)O)CNS(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O","InChI=1S/C26H23NO8S/c28-20-7-5-17(10-22(20)30)9-15-1-3-16(4-2-15)14-27-36(34,35)26-13-25(33)24(32)12-19(26)18-6-8-21(29)23(31)11-18/h1-8,10-13,27-33H,9,14H2","","2022-04-27","2023-04-07","(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide","2023-04-12"],["A9V","(1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol","C16 H24 O3","OC(c1cccc(c1)OCC2CCCCC2)CCO;OCC[CH](O)c1cccc(OCC2CCCCC2)c1;c1cc(cc(c1)OCC2CCCCC2)C(CCO)O","InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m1/s1","","2015-04-27","2015-05-22","(1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol","2015-05-27"],["A9W","[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium","C14 H15 Cl N O","Cc1ccc(O)c(c1)c2ccc(C[NH3+])cc2Cl;Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O","InChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3/p+1","","2017-08-18","2018-08-31","[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium","2018-09-05"],["ODA","9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID","C10 H15 N3 O4","O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2;N[CH]1CCC(=O)N2CCC[CH](N2C1=O)C(O)=O;C1CC(N2C(=O)C(CCC(=O)N2C1)N)C(=O)O","InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1","","1999-10-14","2024-09-27","(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid",""],["ODB","(10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide","C33 H46 N8 O5 S","NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O;c1ccc2c(c1)CN(CC(=O)N3CCCC3CC(=O)NC(C(=O)NC(CSC2)C(=O)N)CCCNC(=N)N)Cc4ccccc4CO","InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27-,28-/m0/s1","P2 macrocycle; (10S,14S,17R)-14-(3-guanidinopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-trioxo-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.06,10]pentacosa-1(25),21,23-triene-17-carboxamide","2020-02-27","2021-08-28","(10~{S},14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide","2020-03-18"],["A9X","(2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid","C16 H18 O5 Se","CC[CH](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O;CCC(CC(=O)c1cc2cc(c(cc2[se]1)OC)OC)C(=O)O","InChI=1S/C16H18O5Se/c1-4-9(16(18)19)5-11(17)15-7-10-6-12(20-2)13(21-3)8-14(10)22-15/h6-9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1","","2022-03-16","2022-09-23","(2~{R})-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid","2022-09-28"],["ODC","2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide","C19 H26 Cl2 N2 O3","CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2;CC(C)(C(=O)N1CCC(CC1)CCNC(=O)CCl)Oc2ccc(cc2)Cl","InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)","","2022-09-05","2024-09-27","2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide","2023-09-20"],["A9Y","(3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one","C19 H14 N4 O3","c1c2c(ccc1)C(OC2=O)c3c(C)nn(c3O)c5nc4ccccc4n5;Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)c4[nH]c5ccccc5n4;Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)C4c5ccccc5C(=O)O4","InChI=1S/C19H14N4O3/c1-10-15(16-11-6-2-3-7-12(11)18(25)26-16)17(24)23(22-10)19-20-13-8-4-5-9-14(13)21-19/h2-9,16,24H,1H3,(H,20,21)/t16-/m1/s1","","2017-07-13","2017-08-04","(3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one","2017-08-09"],["ODD","(10E,12Z)-OCTADECA-10,12-DIENOIC ACID","C18 H32 O2","O=C(O)CCCCCCCCC=CC=C/CCCCC;CCCCCC=CC=CCCCCCCCCC(O)=O;CCCCCC=CC=CCCCCCCCCC(=O)O","InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+","10-TRANS-12-CIS-OCTADECADIENOIC ACID","2005-10-24","2020-06-17","(10E,12Z)-octadeca-10,12-dienoic acid",""],["A9Z","2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)","C14 H19 N8 O6 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(n3nnc(c3)CC)C4O;CCc1cn(nn1)[CH]2[CH](O)[CH](CO[P](O)(O)=O)O[CH]2n3cnc4c(N)ncnc34;CCc1cn(nn1)C2C(C(OC2n3cnc4c3ncnc4N)COP(=O)(O)O)O","InChI=1S/C14H19N8O6P/c1-2-7-3-22(20-19-7)10-11(23)8(4-27-29(24,25)26)28-14(10)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-6,8,10-11,14,23H,2,4H2,1H3,(H2,15,16,17)(H2,24,25,26)/t8-,10-,11-,14-/m1/s1","","2013-01-16","2024-09-27","2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)","2013-07-03"],["AA","9-AMINOACRIDINE","C13 H11 N2","Nc1c2ccccc2[nH+]c3ccccc13;c1ccc2c(c1)c(c3ccccc3[nH+]2)N","InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)/p+1","","1999-07-08","2011-10-28","acridin-10-ium-9-amine",""],["ODE","DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE","C24 H24 O7","O=C(OCC)C4C(C(=O)OCC)C3OC4C(c1ccc(O)cc1)=C3c2ccc(O)cc2;CCOC(=O)[CH]1[CH]2O[CH]([CH]1C(=O)OCC)C(=C2c3ccc(O)cc3)c4ccc(O)cc4;CCOC(=O)C1C(C2C(=C(C1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC","InChI=1S/C24H24O7/c1-3-29-23(27)19-20(24(28)30-4-2)22-18(14-7-11-16(26)12-8-14)17(21(19)31-22)13-5-9-15(25)10-6-13/h5-12,19-22,25-26H,3-4H2,1-2H3/t19-,20+,21-,22+","","2007-07-11","2011-06-04","diethyl (1R,2S,3R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",""],["AA0","N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide","C30 H33 N7 O3","O=C2c6cc(N1CCN(C)CC1)ccc6N=CN2c3c(ccc(c3)NC(=O)c4cc(ncc4)N5CCOCC5)C;CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5ccnc(c5)N6CCOCC6)ccc4C;Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6","InChI=1S/C30H33N7O3/c1-21-3-4-23(33-29(38)22-7-8-31-28(17-22)36-13-15-40-16-14-36)18-27(21)37-20-32-26-6-5-24(19-25(26)30(37)39)35-11-9-34(2)10-12-35/h3-8,17-20H,9-16H2,1-2H3,(H,33,38)","","2011-11-30","2014-09-05","N-{4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]phenyl}-2-(morpholin-4-yl)pyridine-4-carboxamide",""],["ODF","5-oxidanyl-1~{H}-pyrimidine-2,4-dione","C4 H4 N2 O3","OC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)O","InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)","5-Hydroxy-2,4(1H,3H)-pyrimidinedion","2023-01-31","2023-07-07","5-oxidanyl-1~{H}-pyrimidine-2,4-dione","2023-07-12"],["ODG","6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile","C20 H21 N5 O","c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N;O=C(Cc1ccc(cc1)C2CC2)N3CCN(CC3)c4ccc(nn4)C#N;c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4","InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2","","2019-06-20","2020-12-18","6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile","2020-12-23"],["AA1","[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID","C8 H14 N2 O5","O=C(N(N)CC(=O)O)CCC(=O)OCC;CCOC(=O)CCC(=O)N(N)CC(O)=O;CCOC(=O)CCC(=O)N(CC(=O)O)N","InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)","","2005-09-14","2024-09-27","[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid",""],["AA2","4-ARYL-2-PHENYLAMINO PYRIMIDINE","C25 H30 Cl N5 O","Clc1c(nc(nc1)Nc2ccc(cc2)CCN3CCOCC3)c4ccc(cc4)C(N)(C)C;CC(C)(N)c1ccc(cc1)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2Cl;CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N","InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)","4-[4-(1-AMINO-1-METHYLETHYL)PHENYL]-5-CHLORO-N-[4-(2-MORPHOLIN-4-YLETHYL)PHENYL]PYRIMIDIN-2-AMINE","2003-03-24","2021-03-01","4-[4-(1-amino-1-methylethyl)phenyl]-5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine",""],["ODH","N-(furan-2-ylmethyl)quinoxaline-6-carboxamide","C14 H11 N3 O2","O=C(NCc1occc1)c3cc2nccnc2cc3;O=C(NCc1occc1)c2ccc3nccnc3c2;c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3","InChI=1S/C14H11N3O2/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)","","2012-10-08","2013-06-21","N-(furan-2-ylmethyl)quinoxaline-6-carboxamide","2013-06-26"],["AA3","2-AMINOBUTYRIC ACID","C4 H9 N O2","O=C(O)C(N)CC;CC[CH](N)C(O)=O;CCC(C(=O)O)N","InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1","","1999-08-09","2015-02-19","(2R)-2-aminobutanoic acid",""],["ODI","OCTANE-1,8-DIOL","C8 H18 O2","OCCCCCCCCO;OCCCCCCCCO;C(CCCCO)CCCO","InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2","1,8-OCTANEDIOL","2006-04-23","2020-06-17","octane-1,8-diol",""],["ODJ","N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide","C25 H22 N6 O3","c4cc5c(C(Nc3ccc(NC(c2c1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4;COc1ccc2n(c1)ncc2C(=O)Nc3ccc(NC(=O)c4nn(C)c5ccccc45)cc3C;Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C","InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32)","","2019-06-21","2019-10-04","N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide","2019-10-09"],["AA4","2-AMINO-5-HYDROXYPENTANOIC ACID","C5 H11 N O3","O=C(O)C(N)CCCO;N[CH](CCCO)C(O)=O;C(CC(C(=O)O)N)CO","InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1","","1999-08-09","2024-09-27","5-hydroxy-L-norvaline",""],["ODK","3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid","C9 H7 N3 O2","O=C(O)c1cc(nn1)c2ncccc2;OC(=O)c1[nH]nc(c1)c2ccccn2;c1ccnc(c1)c2cc([nH]n2)C(=O)O","InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)","5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid","2010-08-12","2020-06-17","3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid",""],["AA5","N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXYPHOSPHORANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLENE]METHIONINE","C13 H19 N2 O7 P S","O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CCSC;CSCC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCSC)C(=O)O)O","InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,11,16H,3-4,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b15-6+/t11-/m0/s1","","2005-04-08","2011-06-04","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-methionine",""],["ODL","N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide","C20 H19 N O4 S","O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1;Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2)cc1O;c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3ccc(c(c3)O)O","InChI=1S/C20H19NO4S/c22-19-11-10-17(13-20(19)23)12-15-6-8-16(9-7-15)14-21-26(24,25)18-4-2-1-3-5-18/h1-11,13,21-23H,12,14H2","","2022-04-27","2023-04-07","N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide","2023-04-12"],["AA6","3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-PHENYL]-2-METHYLAMINO-PROPIONIC ACID","C11 H16 N2 O5","O=C(O)C(NC)Cc1c(cc(O)c(O)c1)NCO;CN[CH](Cc1cc(O)c(O)cc1NCO)C(O)=O;CNC(Cc1cc(c(cc1NCO)O)O)C(=O)O","InChI=1S/C11H16N2O5/c1-12-8(11(17)18)2-6-3-9(15)10(16)4-7(6)13-5-14/h3-4,8,12-16H,2,5H2,1H3,(H,17,18)/t8-/m0/s1","","1999-08-09","2011-06-04","3-hydroxy-6-[(hydroxymethyl)amino]-N-methyl-L-tyrosine",""],["ODM","(3R)-3,7-dimethyloct-6-en-1-ol","C10 H20 O","C/C(C)=C/CCC(C)CCO;C[CH](CCO)CCC=C(C)C;CC(CCC=C(C)C)CCO","InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1","citronellol","2019-06-21","2020-06-19","(3R)-3,7-dimethyloct-6-en-1-ol","2020-06-24"],["AA7","N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE","C33 H40 N4","n2c1c(cccc1)c(c3c2CCCC3)NCCCCCCCNc4c6c(nc5c4CCCC5)cccc6;C(CCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6","InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","","2006-04-20","2011-06-04","N,N'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine",""],["AA8","Anguinomycin A, bound form","C31 H48 O7","O=C(O)CCCC(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)C;C[CH](CC=CC(C)=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC(C)=CC(O)=O)C=C(C)C=C[CH](O)CCCC(O)=O;CC(CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=C(C)C=CC(CCCC(=O)O)O","InChI=1S/C31H48O7/c1-20(16-22(3)14-15-27(32)12-9-13-28(33)34)10-8-11-21(2)17-24(5)30(37)26(7)31(38)25(6)18-23(4)19-29(35)36/h8,11,14-17,19-20,24-27,31-32,38H,9-10,12-13,18H2,1-7H3,(H,33,34)(H,35,36)/b11-8+,15-14+,21-17+,22-16-,23-19+/t20-,24-,25+,26-,27-,31-/m1/s1","","2012-10-11","2024-09-27","(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid","2013-01-04"],["ODN","(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one","C20 H30 O6","O=C2C(C)C4CCC3C51C(C(O)C(O)(OC1)C23C4O)C(CCC5O)(C)C;C[CH]1[CH]2CC[CH]3[C]45CO[C](O)([CH](O)[CH]4C(C)(C)CC[CH]5O)[C]3([CH]2O)C1=O;CC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5O)(C)C)O)O","InChI=1S/C20H30O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h9-13,15-16,21,23-25H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,15-,16+,18-,19+,20-/m1/s1","","2014-04-25","2024-09-27","(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one","2014-10-15"],["ODO","4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol","C8 H9 N O3","N(/O)=C(c1ccc(O)cc1O)C;CC(=NO)c1ccc(O)cc1O;CC(=NO)c1ccc(cc1O)O","InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+","","2012-10-05","2014-09-05","4-[(1E)-N-hydroxyethanimidoyl]benzene-1,3-diol","2013-06-26"],["AA9","N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE","C35 H47 N5 O5 S","O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c3cc(NCC)cc(N(c2ccccc2)S(=O)(=O)C)c3)Cc4ccccc4)C;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CN[CH](C)C(=O)NC3CCCCC3)N(c4ccccc4)[S](C)(=O)=O;CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNC(C)C(=O)NC4CCCCC4)O","InChI=1S/C35H47N5O5S/c1-4-36-29-21-27(22-31(23-29)40(46(3,44)45)30-18-12-7-13-19-30)35(43)39-32(20-26-14-8-5-9-15-26)33(41)24-37-25(2)34(42)38-28-16-10-6-11-17-28/h5,7-9,12-15,18-19,21-23,25,28,32-33,36-37,41H,4,6,10-11,16-17,20,24H2,1-3H3,(H,38,42)(H,39,43)/t25-,32-,33+/m0/s1","","2010-05-24","2011-06-04","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-[(methylsulfonyl)(phenyl)amino]benzamide",""],["ODP","4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE","C21 H29 N7 O18 P3","NC(=O)[CH]1C=[N+](C=CC1=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-1-9(29)8(3-27)18(23)33/h1-3,6-8,10-11,13-16,20-21,30-32H,4-5H2,(H7-,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t8-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1","","2002-05-17","2011-06-04","[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4-oxo-3H-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",""],["AAA","(2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE","C17 H16 Br2 N2 O2","Brc1cccc(Br)c1C(Nc2cc(ccc2C(=O)C)C)C(=O)N;CC(=O)c1ccc(C)cc1N[CH](C(N)=O)c2c(Br)cccc2Br;Cc1ccc(c(c1)NC(c2c(cccc2Br)Br)C(=O)N)C(=O)C","InChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dibromophenyl)ethanamide",""],["ODQ","(3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione","C14 H18 N2 O2","CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O;CCCC1(C(=O)Nc2ccccc2C(=O)N1C)C","InChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m1/s1","","2020-02-27","2021-01-08","(3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione","2021-01-13"],["AAB","2'-DEOXY-RIBOFURANOSE-5'-MONOPHOSPHATE","C5 H11 O7 P","O=P(OCC1OC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(OC1O)COP(=O)(O)O)O","InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1","ABASIC DEOXYRIBOSE","1999-07-08","2020-06-17","2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose",""],["AAC","ACETYLAMINO-ACETIC ACID","C4 H7 N O3","O=C(NCC(=O)O)C;CC(=O)NCC(O)=O;CC(=O)NCC(=O)O","InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)","","1999-07-16","2024-09-27","N-acetylglycine",""],["ODR","(1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol","C15 H19 N O3","n2oc(c(c1cc(OCC)cc(c1)C(O)C)c2C)C;CCOc1cc(cc(c1)c2c(C)onc2C)[CH](C)O;CCOc1cc(cc(c1)C(C)O)c2c(noc2C)C","InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3/t10-/m1/s1","","2011-07-13","2011-08-05","(1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol",""],["AAD","(2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]-METHYL-SULFONIUM","C13 H21 N6 O4 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C[S+](CCON)C)N;C[S+](CCON)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;C[S+](CCON)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H21N6O4S/c1-24(3-2-22-15)4-7-9(20)10(21)13(23-7)19-6-18-8-11(14)16-5-17-12(8)19/h5-7,9-10,13,20-21H,2-4,15H2,1H3,(H2,14,16,17)/q+1/t7-,9+,10+,13+,24?/m0/s1","5'-[[2-(AMINOOXY)ETHYL]METHYLSULFONIO]-5'-DEOXY-ADENOSINE;\n[2-(AMINO-OXY)ETHYL](5'-DEOXYADENOSIN-5'-YL)(METHYL)SULFONIUM","2002-07-09","2020-06-17","[2-(aminooxy)ethyl]{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylsulfonium (non-preferred name)",""],["ODS","4-methylpiperazine-1-carboxylic acid","C6 H12 N2 O2","O=C(O)N1CCN(C)CC1;CN1CCN(CC1)C(O)=O;CN1CCN(CC1)C(=O)O","InChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)","","1999-07-08","2011-06-04","4-methylpiperazine-1-carboxylic acid",""],["ODT","(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID","C18 H30 O2","O=C(O)CCCCCCCCCC=CC=CC=C/CC;CCC=CC=CC=CCCCCCCCCCC(O)=O;CCC=CC=CC=CCCCCCCCCCC(=O)O","InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+","11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID","2005-10-24","2020-06-17","(11E,13E,15Z)-octadeca-11,13,15-trienoic acid",""],["AAE","ACETOACETIC ACID","C4 H6 O3","O=C(C)CC(=O)O;CC(=O)CC(O)=O;CC(=O)CC(=O)O","InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)","","1999-07-08","2024-09-27","3-oxobutanoic acid",""],["ODU","tetranitro-nitroso-oxidanyl-ruthenium(2-)","H N5 O10 Ru","O[Ru--](N=O)([N+]([O-])=O)([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O;N(=O)[Ru-2]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])O","InChI=1S/4NO2.NO.H2O.Ru/c4*2-1-3;1-2;;/h;;;;;1H2;/q;;;;-1;;/p-1","hydroxy-tetranitro-nitrosyl-ruthenate","2022-09-05","2023-02-24","tetranitro-nitroso-oxidanyl-ruthenium(2-)","2023-03-01"],["AAF","METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE","C20 H29 N5 O4","O=C(NCC2NC(C(=O)N1C(CN)CCC1)CC2)Nc3ccc(C(=O)OC)cc3;COC(=O)c1ccc(NC(=O)NC[CH]2CC[CH](N2)C(=O)N3CCC[CH]3CN)cc1;COC(=O)c1ccc(cc1)NC(=O)NCC2CCC(N2)C(=O)N3CCCC3CN","InChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1","","2006-03-13","2024-09-27","methyl 4-[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate",""],["AAG","N-ALPHA-L-ACETYL-ARGININE","C8 H16 N4 O3","O=C(NC(C(=O)O)CCCNC(=[N@H])N)C;CC(=O)N[CH](CCCNC(N)=N)C(O)=O;CC(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1","","2000-01-21","2011-06-04","N~2~-acetyl-L-arginine",""],["ODV","[(1R)-2-amino-1-hydroxyethyl]phosphonic acid","C2 H8 N O4 P","O=P(O)(O)C(O)CN;NC[CH](O)[P](O)(O)=O;C(C(O)P(=O)(O)O)N","InChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)/t2-/m1/s1","","2013-09-10","2013-11-22","[(1R)-2-amino-1-hydroxyethyl]phosphonic acid","2013-11-27"],["ODW","(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol","C8 H15 N O4","OC[CH]1[CH](O)[CH](O)[C]2(O)CC[CH]1N2;C1CC2(C(C(C(C1N2)CO)O)O)O","InChI=1S/C8H15NO4/c10-3-4-5-1-2-8(13,9-5)7(12)6(4)11/h4-7,9-13H,1-3H2/t4-,5+,6-,7-,8+/m0/s1","galacto-noeurostegine; GNS","2020-02-28","2021-01-08","(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol","2021-01-13"],["AAH","1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID","C13 H19 N2 O7 P","[O-][N+](=O)c1ccc(cc1)CN(CP(=O)(O)O)CCCCC(=O)O;OC(=O)CCCCN(Cc1ccc(cc1)[N+]([O-])=O)C[P](O)(O)=O;c1cc(ccc1CN(CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]","InChI=1S/C13H19N2O7P/c16-13(17)3-1-2-8-14(10-23(20,21)22)9-11-4-6-12(7-5-11)15(18)19/h4-7H,1-3,8-10H2,(H,16,17)(H2,20,21,22)","","1999-07-08","2011-06-04","5-[(4-nitrobenzyl)(phosphonomethyl)amino]pentanoic acid",""],["AAI","trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium","C16 H22 N4 O","O=C(N)c1cccc2nc(nc12)C3CCN(CCC)CC3;CCCN1CCC(CC1)c2[nH]c3c(cccc3C(N)=O)n2;CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N","InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)","2-(1-Propyl-piperidin-4-yl)-1H-benzoimidazole-4-carboxylic acid amide","2007-10-18","2021-03-01","2-(1-propylpiperidin-4-yl)-1H-benzimidazole-7-carboxamide",""],["ODX","2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide","C19 H22 Cl N3 O2","O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1;Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[CH]3CCC[CH]3O)c2;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3CCCC3O","InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1","","2023-08-17","2023-11-03","2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["ODY","(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol","C28 H28 F N O4","C4(c1ccc(cc1)OCCN2CC(C2)CF)C(c3cc(ccc3)O)=C(c5c(O4)c(ccc5)O)C;CC1=C([CH](Oc2c(O)cccc12)c3ccc(OCCN4CC(CF)C4)cc3)c5cccc(O)c5;CC1=C(C(Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O","InChI=1S/C28H28FNO4/c1-18-24-6-3-7-25(32)28(24)34-27(26(18)21-4-2-5-22(31)14-21)20-8-10-23(11-9-20)33-13-12-30-16-19(15-29)17-30/h2-11,14,19,27,31-32H,12-13,15-17H2,1H3/t27-/m0/s1","","2019-06-21","2019-07-12","(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol","2019-07-17"],["AAK","~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate","C16 H22 N2 O3","CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12;CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C","InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3","","2017-08-18","2024-09-27","~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate","2018-03-14"],["ODZ","2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide","C14 H17 N O4","C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O;CC(CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O","InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1","","2020-02-28","2024-09-27","2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide","2020-06-24"],["AAL","3,6-anhydro-alpha-L-galactopyranose","C6 H10 O5","OC2OC1C(O)C(OC1)C2O;O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O;C1C2C(C(O1)C(C(O2)O)O)O","InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1","3,6-ANHYDRO-L-GALACTOSE; 3,6-anhydro-alpha-L-galactose; 3,6-anhydro-galactose","2001-01-23","2020-07-17","3,6-anhydro-alpha-L-galactopyranose",""],["OE0","N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide","C20 H19 N O6 S","Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(Cc2ccc(O)c(O)c2)cc1;Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c3)cc2)cc1O;c1cc(ccc1Cc2ccc(c(c2)O)O)CNS(=O)(=O)c3ccc(c(c3)O)O","InChI=1S/C20H19NO6S/c22-17-7-5-15(10-19(17)24)9-13-1-3-14(4-2-13)12-21-28(26,27)16-6-8-18(23)20(25)11-16/h1-8,10-11,21-25H,9,12H2","","2022-04-27","2023-04-07","N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide","2023-04-12"],["AAM","ALPHA-ADENOSINE MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1ncnc(N)c12)C(O)C3O;Nc1ncnc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12;c1nc(c2c(n1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1","","2001-07-03","2011-06-04","7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-6-amine",""],["OE1","2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide","C19 H23 N3 O2 S","CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3;CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3","InChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)","","2015-03-08","2015-05-08","2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide","2015-05-13"],["AAN","2-(4-NITROPHENYL)ACETIC ACID","C8 H7 N O4","O=C(O)Cc1ccc(cc1)[N+]([O-])=O;OC(=O)Cc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1CC(=O)O)[N+](=O)[O-]","InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)","","1999-07-08","2011-06-04","(4-nitrophenyl)acetic acid",""],["AAO","ACARBOSE DERIVED HEXASACCHARIDE","C37 H63 N O28","O(C1C(OC(O)C(O)C1O)CO)C6OC(C(OC5OC(C)C(NC4C=C(CO)C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](O[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)CO","InChI=1S/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,35-,36-,37-/m1/s1","4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE","2004-11-18","2021-03-13","4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["OE2","PSAMMAPLIN C","C11 H14 Br N3 O5 S","N[S](=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO;c1cc(c(cc1CC(=NO)C(=O)NCCS(=O)(=O)N)Br)O","InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+","","2015-06-26","2016-05-20","(2E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide","2016-05-25"],["AAP","ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE","C17 H16 Cl2 N2 O2","Clc1cccc(Cl)c1C(Nc2cc(ccc2C(=O)C)C)C(=O)N;CC(=O)c1ccc(C)cc1N[CH](C(N)=O)c2c(Cl)cccc2Cl;Cc1ccc(c(c1)NC(c2c(cccc2Cl)Cl)C(=O)N)C(=O)C","InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dichlorophenyl)ethanamide",""],["OE3","~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide","C19 H20 N2 O3 S","CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12;CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3","InChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3","","2022-09-06","2023-03-17","~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide","2023-03-22"],["OE4","N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide","C24 H20 N4 O3","c1cncc(c1)C5CN(C(Nc2ccc(cc2)CN3C(c4c(C3=O)cccc4)=O)=O)C5;O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N4CC(C4)c5cccnc5;c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5","InChI=1S/C24H20N4O3/c29-22-20-5-1-2-6-21(20)23(30)28(22)13-16-7-9-19(10-8-16)26-24(31)27-14-18(15-27)17-4-3-11-25-12-17/h1-12,18H,13-15H2,(H,26,31)","","2019-06-21","2019-11-29","N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide","2019-12-04"],["AAQ","6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C19 H21 N7 O","O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCc4ccccc4;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCc4ccccc4)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N","InChI=1S/C19H21N7O/c1-21-19-23-14-9-13-15(24-18(20)26-17(13)27)12(16(14)25-19)7-8-22-10-11-5-3-2-4-6-11/h2-6,9,22H,7-8,10H2,1H3,(H2,21,23,25)(H3,20,24,26,27)","","2009-02-27","2011-06-04","6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["AAR","ARGININEAMIDE","C6 H16 N5 O","O=C(N)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C(N)=O;C(CC(C(=O)N)N)CNC(=[NH2+])N","InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1","","1999-07-08","2024-09-27","amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",""],["OE5","5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C32 H33 N7 O2","Cc1ccc(cc1)n2nc(cc2NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5","InChI=1S/C32H33N7O2/c1-21-10-16-25(17-11-21)38-28(18-27(37-38)32(2,3)4)36-30(40)23-14-12-22(13-15-23)19-34-31(41)26-20-35-39(29(26)33)24-8-6-5-7-9-24/h5-18,20H,19,33H2,1-4H3,(H,34,41)(H,36,40)","MCP-81","2020-02-28","2021-03-01","5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-11"],["OE6","N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide","C14 H11 Cl N4 O","Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21;Clc1cccc(CC(=O)Nn2nnc3ccccc23)c1;c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20)","","2023-08-17","2023-11-03","N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide","2023-11-08"],["AAS","3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE","C8 H10 Hg N2 O4 S","O=S(=O)(c1cc([Hg]OC(=O)C)c(N)cc1)N;CC(=O)O[Hg]c1cc(ccc1N)[S](N)(=O)=O;CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N","InChI=1S/C6H7N2O2S.C2H4O2.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;1-2(3)4;/h1,3-4H,7H2,(H2,8,9,10);1H3,(H,3,4);/q;;+1/p-1","","1999-07-08","2011-06-04","(acetato-kappaO)(2-amino-5-sulfamoylphenyl)mercury",""],["AAT","S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE","C18 H29 N7 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS/C(=C/CN)CCCCCN)N;NCCCCCC(SC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)=CCN;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSC(=CCN)CCCCCN)O)O)N","InChI=1S/C18H29N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h5,9-10,12,14-15,18,26-27H,1-4,6-8,19-20H2,(H2,21,22,23)/t12-,14-,15-,18-/m1/s1","","2001-08-10","2011-06-04","5'-S-[(1E)-6-amino-1-(2-aminoethylidene)hexyl]-5'-thioadenosine",""],["OE7","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid","C21 H16 Cl N5 O4","N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O)c2C(=O)N1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl","InChI=1S/C21H16ClN5O4/c22-13-5-6-14(20(30)31)15(8-13)25-18(28)11-3-1-10(2-4-11)7-12-9-24-17-16(12)19(29)27-21(23)26-17/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29)","","2019-06-24","2019-09-27","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid","2019-10-02"],["OE8","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C34 H37 F N6 O3","Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N","InChI=1S/C34H37FN6O3/c35-26-16-18-27(19-17-26)39-34(44)30(20-13-23-7-3-1-4-8-23)40-32(42)25-14-11-24(12-15-25)21-37-33(43)29-22-38-41(31(29)36)28-9-5-2-6-10-28/h2,5-6,9-12,14-19,22-23,30H,1,3-4,7-8,13,20-21,36H2,(H,37,43)(H,39,44)(H,40,42)/t30-/m0/s1","SR348","2020-02-28","2021-03-01","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-11"],["AAU","(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE","C36 H39 N3 O8","O=C(N1N(C(=O)N(C(C(O)C1)Cc2ccccc2)Cc3ccc(O)c(OC)c3)Cc4ccc(O)c(OC)c4)CCc5ccc(O)cc5;COc1cc(CN2[CH](Cc3ccccc3)[CH](O)CN(N(Cc4ccc(O)c(OC)c4)C2=O)C(=O)CCc5ccc(O)cc5)ccc1O;COc1cc(ccc1O)CN2C(C(CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5","InChI=1S/C36H39N3O8/c1-46-33-19-26(10-15-30(33)41)21-37-29(18-25-6-4-3-5-7-25)32(43)23-38(35(44)17-12-24-8-13-28(40)14-9-24)39(36(37)45)22-27-11-16-31(42)34(20-27)47-2/h3-11,13-16,19-20,29,32,40-43H,12,17-18,21-23H2,1-2H3/t29-,32-/m1/s1","","2005-07-01","2011-06-04","(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one",""],["AAV","N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide","C24 H24 N6 O3","O=C(c4ccc(c(N3C=Nc2ccc(N1CCN(C)CC1)cc2C3=O)c4)C)Nc5nocc5;CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc4C)C(=O)Nc5ccon5;Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5","InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)","","2011-12-01","2014-09-05","4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]-N-(1,2-oxazol-3-yl)benzamide",""],["OE9","[methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc","C36 H36 N4 O5 Zn","O=C(OC)CCC1C(C)C2=Cc3c(C)c(C=C)c4C=C5C(C)=C(CC)C=6C=C7C(C)=C8C(=O)C(C9=C8N7[Zn](N2=C91)(n34)N5=6)C(=O)OC;CCC1=C(C)C2=Cc3n4[Zn][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C;CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC)C)C)C=C)C","InChI=1S/C36H37N4O5.Zn/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23;/h9,13-15,18,22,32H,1,10-12H2,2-8H3,(H-,37,38,39,40,42);/q-1;+2/p-1/t18-,22+,32+;/m0./s1","","2022-04-27","2023-04-14","[methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc","2023-04-19"],["OEA","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid","C22 H19 N5 O5","c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc(OC)ccc4C(O)=O)=O;COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4N=C(N)NC(=O)c34)cc2)c1;COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O","InChI=1S/C22H19N5O5/c1-32-14-6-7-15(21(30)31)16(9-14)25-19(28)12-4-2-11(3-5-12)8-13-10-24-18-17(13)20(29)27-22(23)26-18/h2-7,9-10H,8H2,1H3,(H,25,28)(H,30,31)(H4,23,24,26,27,29)","","2019-06-24","2019-09-27","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid","2019-10-02"],["AAX","N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE","C25 H24 N4 O4 S","O=S(=O)(NCC1CC1)c2cc(c(OC)cc2)Nc3ncc(o3)c5cccc(c4cccnc4)c5;COc1ccc(cc1Nc2oc(cn2)c3cccc(c3)c4cccnc4)[S](=O)(=O)NCC5CC5;COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5","InChI=1S/C25H24N4O4S/c1-32-23-10-9-21(34(30,31)28-14-17-7-8-17)13-22(23)29-25-27-16-24(33-25)19-5-2-4-18(12-19)20-6-3-11-26-15-20/h2-6,9-13,15-17,28H,7-8,14H2,1H3,(H,27,29)","","2004-12-09","2011-06-04","N-(cyclopropylmethyl)-4-methoxy-3-{[5-(3-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]amino}benzenesulfonamide",""],["AAY","8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE","C37 H49 N O6","O=C(OC1C2C(=CC(C)C1)C=CC(C)C2CCC3N(C(=O)CC(O)C3)Cc4ccc5c(c4)ccc(OC)c5CO)C(C)CC;CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)N3Cc4ccc5c(CO)c(OC)ccc5c4)[CH]12;CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C","InChI=1S/C37H49NO6/c1-6-23(3)37(42)44-34-16-22(2)15-27-9-7-24(4)30(36(27)34)13-11-28-18-29(40)19-35(41)38(28)20-25-8-12-31-26(17-25)10-14-33(43-5)32(31)21-39/h7-10,12,14-15,17,22-24,28-30,34,36,39-40H,6,11,13,16,18-21H2,1-5H3/t22-,23-,24-,28-,29+,30-,34-,36-/m0/s1","LFA703","2004-09-07","2021-03-01","(1S,3R,7S,8S,8aR)-8-{2-[(2S,4R)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methyl}-6-oxopiperidin-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate",""],["OEB","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C34 H39 N7 O3","Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NCc4ccncc4)c5ccccc5;c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC4CCCCC4)C(=O)NCc5ccncc5)N","InChI=1S/C34H39N7O3/c35-31-29(23-39-41(31)28-9-5-2-6-10-28)33(43)37-21-25-11-14-27(15-12-25)32(42)40-30(16-13-24-7-3-1-4-8-24)34(44)38-22-26-17-19-36-20-18-26/h2,5-6,9-12,14-15,17-20,23-24,30H,1,3-4,7-8,13,16,21-22,35H2,(H,37,43)(H,38,44)(H,40,42)/t30-/m0/s1","SR92","2020-02-28","2021-03-01","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2020-03-11"],["AAZ","N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE","C23 H21 N3 O4 S","O=S(=O)(c1cc(c(OC)cc1)Nc2ncc(o2)c4cccc(c3ncccc3)c4)CC;CC[S](=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)c4ccccn4)c1;CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC","InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)","","2004-12-09","2011-06-04","N-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-amine",""],["OEC","OXYGEN EVOLVING SYSTEM","Ca Mn4 O4","[Mn][O]12[Mn]O[Mn]O[Ca]1O[Mn]2;O12[Ca]3O4[Mn]1O5[Mn]2O3([Mn]45)[Mn]","InChI=1S/Ca.4Mn.4O","","2004-02-05","2023-09-23","",""],["AB0","3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,13-PENTADEOXY-4-O-(METHOXYMETHYL)-L-ARABINO-L-ALLO-TETRADEC-12-ENONIC ACID","C16 H24 O8","O=C(O)CC2OC1C(O)C3OCC=CCC3OC1CC2OCOC;COCO[CH]1C[CH]2O[CH]3CC=CCO[CH]3[CH](O)[CH]2O[CH]1CC(O)=O;COCOC1CC2C(C(C3C(O2)CC=CCO3)O)OC1CC(=O)O","InChI=1S/C16H24O8/c1-20-8-22-10-6-12-16(24-11(10)7-13(17)18)14(19)15-9(23-12)4-2-3-5-21-15/h2-3,9-12,14-16,19H,4-8H2,1H3,(H,17,18)/t9-,10-,11+,12+,14+,15-,16+/m0/s1","CIGUATOXIN ABC RING FRAGMENT","2006-11-21","2021-03-01","3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid",""],["OED","[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid","C23 H21 N5 O5","O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC(O)=O)OC)N=C(N4)N;COc1ccc(CC(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4N=C(N)NC(=O)c34)cc2)c1;COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O","InChI=1S/C23H21N5O5/c1-33-16-7-6-14(9-18(29)30)17(10-16)26-21(31)13-4-2-12(3-5-13)8-15-11-25-20-19(15)22(32)28-23(24)27-20/h2-7,10-11H,8-9H2,1H3,(H,26,31)(H,29,30)(H4,24,25,27,28,32)","","2019-06-24","2019-09-27","[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid","2019-10-02"],["OEE","~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate","C11 H19 N O4","CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O;CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O","InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1","","2020-02-28","2024-09-27","~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate","2020-06-24"],["AB1","N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE","C37 H48 N4 O5","O=C(NC(Cc1ccccc1)C(O)CC(NC(=O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)COc4c(cccc4C)C;CC(C)[CH](N1CCCNC1=O)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(Cc3ccccc3)NC(=O)C(C(C)C)N4CCCNC4=O)O)C","InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1","ABT-378; LOPINAVIR","2002-09-24","2020-05-26","(2S)-N-[(1S,3S,4S)-1-benzyl-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide",""],["OEF","3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID","C18 H18 Br2 O4","Brc2cc(cc(Br)c2Oc1cc(c(O)cc1)C(C)C)CCC(=O)O;CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O;CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br","InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)","","2006-08-28","2011-06-04","3-{3,5-dibromo-4-[4-hydroxy-3-(1-methylethyl)phenoxy]phenyl}propanoic acid",""],["AB2","[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE","C34 H41 N5 O7 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(n2nnc(c2)COC(=O)NC4c3ccccc3CC4O)Cc5ccccc5;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)n3cc(COC(=O)N[CH]4[CH](O)Cc5ccccc45)nn3;CC(C)CN(CC(C(Cc1ccccc1)n2cc(nn2)COC(=O)NC3c4ccccc4CC3O)O)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33+/m0/s1","","2005-06-08","2011-06-04","{1-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-1H-1,2,3-triazol-4-yl}methyl [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate",""],["AB3","3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL","C15 H17 N5 O","n1c(c2c(nc1)n(nc2c3cccc(O)c3)C(C)(C)C)N;CC(C)(C)n1nc(c2cccc(O)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N","InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)","","2004-07-22","2011-06-04","3-(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol",""],["OEG","2,2'-oxydiacetic acid","C4 H6 O5","O=C(O)COCC(=O)O;OC(=O)COCC(O)=O;C(C(=O)O)OCC(=O)O","InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)","","2008-03-28","2011-06-04","2,2'-oxydiacetic acid",""],["AB4","2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE","C22 H15 Cl2 N O4 S","O=S(=O)(c1cc(Cl)ccc1Cl)Nc4cc(c3c2ccccc2ccc3O)c(O)cc4;Oc1ccc(N[S](=O)(=O)c2cc(Cl)ccc2Cl)cc1c3c(O)ccc4ccccc34;c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O","InChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H","","2005-08-11","2011-06-04","2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide",""],["OEH","[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C35 H43 Cl N3 O6","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl","InChI=1S/C35H42ClN3O6/c1-38(2)25-10-13-28-31(22-25)45-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)37-16-18-44-20-19-43-17-8-6-5-7-15-36/h9-14,21-23H,5-8,15-20H2,1-4H3,(H-,37,40,41,42)/p+1","","2020-02-28","2024-09-27","[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2021-03-31"],["OEI","2-[(phenylmethyl)amino]ethanol","C9 H13 N O","OCCNCc1ccccc1;c1ccc(cc1)CNCCO","InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2","2-(benzylamino)ethan-1-ol","2022-09-06","2022-11-18","2-[(phenylmethyl)amino]ethanol","2022-11-23"],["AB5","2(S)-AMINO-6-BORONOHEXANOIC ACID","C6 H16 B N O5","O=C(O)C(CCCC[B-](O)(O)O)[NH3+];[NH3+][CH](CCCC[B-](O)(O)O)C(O)=O;[B-](CCCCC(C(=O)O)[NH3+])(O)(O)O","InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/p+1/t5-/m0/s1","","2005-08-26","2011-12-12","[(5S)-5-ammonio-5-carboxypentyl](trihydroxy)borate(1-)",""],["OEJ","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid","C22 H17 N5 O6","C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(=N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc(ccc4C(O)=O)C(O)=O)c2C(=O)N1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O","InChI=1S/C22H17N5O6/c23-22-26-17-16(19(29)27-22)13(9-24-17)7-10-1-3-11(4-2-10)18(28)25-15-8-12(20(30)31)5-6-14(15)21(32)33/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H,32,33)(H4,23,24,26,27,29)","","2019-06-24","2019-09-27","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid","2019-10-02"],["AB6","(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-2-HYDROXYBUTANAMIDE","C21 H44 N6 O9","O=C(NC2CC(N)C(OC1OC(C(O)C(O)C1N)CO)C(O)C2OCCNCCCN)C(O)CCN;NCCCNCCO[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](N)C[CH]1NC(=O)[CH](O)CCN;C1C(C(C(C(C1NC(=O)C(CCN)O)OCCNCCCN)O)OC2C(C(C(C(O2)CO)O)O)N)N","InChI=1S/C21H44N6O9/c22-3-1-5-26-6-7-34-19-11(27-20(33)12(29)2-4-23)8-10(24)18(17(19)32)36-21-14(25)16(31)15(30)13(9-28)35-21/h10-19,21,26,28-32H,1-9,22-25H2,(H,27,33)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,21+/m0/s1","","2006-01-05","2011-06-04","(2R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide",""],["OEK","4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid","C38 H49 Cl N3 O5","CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C;CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C","InChI=1S/C38H48ClN3O5/c1-38(2)33-24-27(41(3)4)12-15-30(33)35(31-16-13-28(42(5)6)25-34(31)38)32-23-26(11-14-29(32)37(44)45)36(43)40-18-20-47-22-21-46-19-10-8-7-9-17-39/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,40,43,44,45)/p+1","","2020-02-28","2024-09-27","[10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium","2021-03-31"],["AB7","ALPHA-AMINOBUTYRIC ACID","C4 H9 N O2","O=C(O)C(N)CC;CC[CH](N)C(O)=O;CCC(C(=O)O)N","InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/f/h6H","","2005-11-02","2009-10-15","(2S)-2-aminobutanoic acid",""],["AB8","(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3\n,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE","C34 H48 N2 O7","O=C(OC1C4C(=CC(C)C1)C=CC(C4CCC2OC(=O)N(C(C2)CC(=O)NC)Cc3ccc(O)c(OC)c3)C)C(C)CC;CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](CC(=O)NC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[CH]12;CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C","InChI=1S/C34H48N2O7/c1-7-21(3)33(39)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(38)35-5)36(34(40)42-26)19-23-9-13-28(37)29(16-23)41-6/h8-10,13-14,16,20-22,25-27,30,32,37H,7,11-12,15,17-19H2,1-6H3,(H,35,38)/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1","LFA878; (S)-2-METHYL-BUTYRIC ACID\n(1S,3R,7S,8S,8AR)-8-{2-[(4R,6R)-3-(4-HYDROXY-3-METHOXY-BENZYL)-4-METHYLCARBAMOYLMETHYL-2-OXO-[1,3]OXAZINAN-6-YL]-ETHYL}-\n3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRO-NAPHTHALEN-1-YL ESTER","2004-09-07","2020-06-17","(1S,3R,7S,8S,8aR)-8-(2-{(4R,6R)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate",""],["OEL","(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien\n-2-ium-1-yl-L-gulonic acid","C13 H20 F N4 O7","FC1C(N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C(=O)O)C(=O)C(O)CO;CC(C)C(=O)N[CH]1[CH](O[CH]([CH](F)[CH]1N=[N+]=N)C(O)=O)C(=O)[CH](O)CO;CC(C)C(=O)NC1C(C(C(OC1C(=O)C(CO)O)C(=O)O)F)N=[N+]=N","InChI=1S/C13H19FN4O7/c1-4(2)12(22)16-8-7(17-18-15)6(14)10(13(23)24)25-11(8)9(21)5(20)3-19/h4-8,10-11,15,19-20H,3H2,1-2H3,(H-,16,22,23,24)/p+1/t5-,6-,7-,8+,10-,11+/m0/s1","","2015-01-12","2024-09-27","(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien\n-2-ium-1-yl-L-gulonic acid","2015-02-11"],["OEM","N-methyl-D-aspartic acid","C5 H9 N O4","O=C(O)C(NC)CC(=O)O;CN[CH](CC(O)=O)C(O)=O;CNC(CC(=O)O)C(=O)O","InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1","","2010-08-17","2024-09-27","N-methyl-D-aspartic acid",""],["AB9","(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE","C20 H43 N7 O8","O=C(NC2CC(N)C(OC1OC(C(O)C(O)C1N)CN)C(O)C2OCCNCCN)C(O)CCN;NCCNCCO[CH]1[CH](O)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2N)[CH](N)C[CH]1NC(=O)[CH](O)CCN;C1C(C(C(C(C1NC(=O)C(CCN)O)OCCNCCN)O)OC2C(C(C(C(O2)CN)O)O)N)N","InChI=1S/C20H43N7O8/c21-2-1-11(28)19(32)27-10-7-9(24)17(16(31)18(10)33-6-5-26-4-3-22)35-20-13(25)15(30)14(29)12(8-23)34-20/h9-18,20,26,28-31H,1-8,21-25H2,(H,27,32)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,20+/m0/s1","","2006-01-05","2011-06-04","(2R)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide",""],["OEN"," Biapenem Imine hydrolysis product","C15 H21 N4 O5 S","C[CH](O)[CH](C(O)=O)C1=N[CH]([CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O;CC1C(C(N=C1C(C(C)O)C(=O)O)C(=O)O)SC2Cn3cnc[n+]3C2","InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-10,12-13,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,12+,13+/m1/s1","","2020-03-02","2021-03-26","(4~{R})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[[(6~{S})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-4-methyl-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid","2021-03-31"],["ABA","ALPHA-AMINOBUTYRIC ACID","C4 H9 N O2","O=C(O)C(N)CC;CC[CH](N)C(O)=O;CCC(C(=O)O)N","InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-aminobutanoic acid",""],["OEO","N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide","C24 H23 N3 O S","O=C(Cc1cncc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C;CN(C)c1ccc(cc1)N(Cc2cscc2)C(=O)Cc3cncc4ccccc34;CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3cncc4c3cccc4","InChI=1S/C24H23N3OS/c1-26(2)21-7-9-22(10-8-21)27(16-18-11-12-29-17-18)24(28)13-20-15-25-14-19-5-3-4-6-23(19)20/h3-12,14-15,17H,13,16H2,1-2H3","","2023-08-17","2023-11-03","N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide","2023-11-08"],["ABB","(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE","C20 H26 N6 O4 S","O=C(N1CC(O)CC1C(=O)NC(C(=O)c2nc3ccccc3s2)CCCNC(=[N@H])N)C;CC(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CCCNC(N)=N)C(=O)c2sc3ccccc3n2;CC(=O)N1CC(CC1C(=O)NC(CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O","InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1","","2002-12-17","2024-09-27","(4R)-1-acetyl-N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]-4-hydroxy-L-prolinamide",""],["ABC","MODIFIED ACARBOSE HEXASACCHARIDE","C37 H63 N O26","O(C1C(O)C(O)C(O)OC1C)C6OC(C(OC5OC(C)C(NC4C=C(CO)C(OC3OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](N[CH]4[CH](C)O[CH](O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](C)O[CH](O)[CH](O)[CH]6O)[CH](O)[CH]4O)C=C3CO)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)C)CO)O)O)NC4C=C(C(C(C4O)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)C)O)O)O)O)O)CO","InChI=1S/C37H63NO26/c1-8-15(18(44)25(51)34(57-8)63-31-13(6-40)59-36(27(53)22(31)48)61-29-10(3)56-33(55)24(50)21(29)47)38-12-4-11(5-39)30(20(46)17(12)43)62-37-28(54)23(49)32(14(7-41)60-37)64-35-26(52)19(45)16(42)9(2)58-35/h4,8-10,12-55H,5-7H2,1-3H3/t8-,9-,10-,12+,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m1/s1","","1999-07-08","2011-06-04","4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(6-deoxy-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranose",""],["OEP","3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid","C23 H19 N5 O6","c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O)C(=O)NC(=N4)N;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc(ccc4CC(O)=O)C(O)=O)c2C(=O)N1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O","InChI=1S/C23H19N5O6/c24-23-27-19-18(21(32)28-23)15(10-25-19)7-11-1-3-12(4-2-11)20(31)26-16-8-14(22(33)34)6-5-13(16)9-17(29)30/h1-6,8,10H,7,9H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)","","2019-06-24","2019-09-27","3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid","2019-10-02"],["OEQ","Biapenem Enamine hydrolysis product","C15 H21 N4 O5 S","C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O)C(O)=O;CC1C(NC(=C1SC2Cn3cnc[n+]3C2)C(=O)O)C(C(C)O)C(=O)O","InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,17,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,11-/m1/s1","(2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2\n-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2020-03-02","2021-03-26","(2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid","2021-03-31"],["ABD","ACARBOSE DERIVED HEXASACCHARIDE","C36 H63 N O29","O(C1C(OC(O)C(O)C1O)CO)C6OC(C(OC5OC(C)C(NC4OC(CO)C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4O[CH](CO)[CH](O[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O","InChI=1S/C36H63NO29/c1-7-13(15(44)23(52)33(57-7)63-29-11(5-41)61-36(25(54)19(29)48)65-28-10(4-40)59-32(56)22(51)18(28)47)37-31-21(50)17(46)27(9(3-39)58-31)64-35-26(55)20(49)30(12(6-42)62-35)66-34-24(53)16(45)14(43)8(2-38)60-34/h7-56H,2-6H2,1H3/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1","","1999-07-08","2020-07-17","(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol (non-preferred name)",""],["ABE","alpha-D-Abequopyranose","C6 H12 O4","OC1C(OC(O)C(O)C1)C;C[CH]1O[CH](O)[CH](O)C[CH]1O;CC1C(CC(C(O1)O)O)O","InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1","alpha-D-Abequose; 3,6-dideoxy-alpha-D-xylo-hexopyranose; 3,6-dideoxy-alpha-D-gulopyranose;\n3,6-dideoxy-alpha-D-galactopyranose; 3-deoxy-alpha-D-fucopyranose; D-Abequose; Abequose","1999-07-08","2020-07-17","3,6-dideoxy-alpha-D-xylo-hexopyranose",""],["OER","SR-MN4-O5 CLUSTER","Mn4 O5 Sr","O1[Mn][O-]2|3[Mn]4|O5[Sr++]2|O6[Mn]1|3[O+]4[Mn]56;O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36","InChI=1S/4Mn.5O.Sr/q;;;;;;;-1;+1;+2","Mn4SrOt5-cluster","2013-02-12","2020-06-17","",""],["ABF","5-O-phosphono-beta-D-arabinofuranose","C5 H11 O8 P","O=P(O)(O)OCC1OC(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m1/s1","BETA-D-ARABINOFURANOSE-5'-PHOSPHATE; 5-O-phosphono-beta-D-arabinose; 5-O-phosphono-D-arabinose;\n5-O-phosphono-arabinose","2002-11-26","2020-07-17","5-O-phosphono-beta-D-arabinofuranose",""],["OES","N-OCTYL-2-HYDROXYETHYL SULFOXIDE","C10 H22 O2 S","O=S(CCCCCCCC)CCO;CCCCCCCC[S](=O)CCO;CCCCCCCCS(=O)CCO","InChI=1S/C10H22O2S/c1-2-3-4-5-6-7-9-13(12)10-8-11/h11H,2-10H2,1H3/t13-/m1/s1","","1999-08-12","2011-06-04","2-[(R)-octylsulfinyl]ethanol",""],["ABG","ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE","C11 H18 N5 O12 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N","InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","","2000-11-15","2012-05-07","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine",""],["OET","ETHYL GROUP","C2 H5","CC;[CH2]C;C[CH2]","InChI=1/C2H6/c1-2/h1-2H3","","1999-07-08","2008-10-14","ethane",""],["ABH","2(S)-AMINO-6-BORONOHEXANOIC ACID","C6 H15 B N O5","O=C(O)C(N)CCCC[B-](O)(O)O;N[CH](CCCC[B-](O)(O)O)C(O)=O;[B-](CCCCC(C(=O)O)N)(O)(O)O","InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1","","1999-10-07","2011-06-04","[(5S)-5-amino-5-carboxypentyl](trihydroxy)borate(1-)",""],["OEU","N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide","C31 H36 Cl N3 O4","Clc1ccccc1CNC(=O)C(NC(=O)C(NC(=O)CCc2ccccc2C)C(O)C)CCc3ccccc3;C[CH](O)[CH](NC(=O)CCc1ccccc1C)C(=O)N[CH](CCc2ccccc2)C(=O)NCc3ccccc3Cl;Cc1ccccc1CCC(=O)NC(C(C)O)C(=O)NC(CCc2ccccc2)C(=O)NCc3ccccc3Cl","InChI=1S/C31H36ClN3O4/c1-21-10-6-7-13-24(21)17-19-28(37)35-29(22(2)36)31(39)34-27(18-16-23-11-4-3-5-12-23)30(38)33-20-25-14-8-9-15-26(25)32/h3-15,22,27,29,36H,16-20H2,1-2H3,(H,33,38)(H,34,39)(H,35,37)/t22-,27+,29+/m1/s1","","2011-06-17","2011-07-15","N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide",""],["OEV","(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol","C15 H29 N O4","OC1C(=CC(NCCCCCCCC)C(O)C1O)CO;CCCCCCCCN[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCNC1C=C(C(C(C1O)O)O)CO","InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13-,14+,15+/m1/s1","","2008-05-21","2011-06-04","(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol",""],["ABI","5-AMIDINO-BENZIMIDAZOLE","C8 H9 N4","n2c1ccc(cc1nc2)C(=[NH2+])N;NC(=[NH2+])c1ccc2nc[nH]c2c1;c1cc2c(cc1C(=[NH2+])N)[nH]cn2","InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1","","1999-07-29","2011-06-04","amino(1H-benzimidazol-6-yl)methaniminium",""],["OEW","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C30 H43 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)C(=O)NC4CC4)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CCCCC2)C(=O)NC(CC3CC=NC3=O)C(C(=O)NC4CC4)O","InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,14-15,18-20,22-24,36H,4-6,8-9,11-13,16-17H2,1-3H3,(H,32,39)(H,33,38)(H,34,41)/t19-,22-,23-,24+/m0/s1","Tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate","2020-03-02","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2020-03-18"],["ABJ","3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL","C14 H15 N5 O","n1c(c2c(nc1)n(nc2c3cccc(O)c3)C(C)C)N;CC(C)n1nc(c2cccc(O)c2)c3c(N)ncnc13;CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N","InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9/h3-8,20H,1-2H3,(H2,15,16,17)","","2008-09-25","2011-06-04","3-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol",""],["ABK","3-AMINO-5,5-DI-FLUORO-2-KETO-PENTAN-1-OIC ACID","C5 H7 F2 N O3","O=C(C(=O)O)C(N)CC(F)F;N[CH](CC(F)F)C(=O)C(O)=O;C(C(C(=O)C(=O)O)N)C(F)F","InChI=1/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1/f/h10H","","2000-01-19","2008-10-14","(3S)-3-amino-5,5-difluoro-2-oxopentanoic acid",""],["OEX","CA-MN4-O5 CLUSTER","Ca Mn4 O5","O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn]456;O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4[Mn]36","InChI=1S/Ca.4Mn.5O","","2011-01-17","2011-04-15","",""],["OEY","CA-MN4-O6 CLUSTER","Ca Mn4 O6","O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3;O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3","InChI=1S/Ca.4Mn.O2.4O/c;;;;;1-2;;;;/q;;;;+1;-1;;;;","","2017-01-04","2017-05-30","","2017-03-15"],["ABL","(2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside","C12 H21 N O10","O=C2NC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2O)CO;OC[CH]1NC(=O)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;C(C1C(C(C(C(=O)N1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C12H21NO10/c14-1-3-10(7(18)8(19)11(21)13-3)23-12-9(20)6(17)5(16)4(2-15)22-12/h3-10,12,14-20H,1-2H2,(H,13,21)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1","5-amino-5-deoxy-cellobiono-1,5-lactam; (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl\nbeta-D-glucoside; (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl D-glucoside;\n(2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl glucoside","2003-01-02","2020-07-17","(2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside",""],["ABM","METHYL PHOSPHONIC ACID ADENOSINE ESTER","C11 H16 N5 O6 P","O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C;C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","ALPHA-METHYLENE ADENOSINE MONOPHOSPHATE","1999-12-16","2021-03-01","5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine",""],["OEZ","~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide","C21 H21 N3 O3","COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4;CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4","InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26)","","2020-03-02","2021-03-26","~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide","2021-03-31"],["OF1","FERROUS ION, 1 WATER COORDINATED","Fe H2 O","O|[Fe++];[OH2][Fe+2]","InChI=1/Fe.H2O/h;1H2/q+2;/rFeH2O/c1-2/h2H2/q+2","","1999-07-13","2008-10-14","",""],["ABN","BENZYLAMINE","C7 H9 N","NCc1ccccc1;NCc1ccccc1;c1ccc(cc1)CN","InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2","","1999-07-08","2024-09-27","1-phenylmethanamine",""],["ABO","4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL","C21 H16 N4 O2","Oc5ccc(c1ccc2c(c1)nnc2c3nc4ccccc4n3)cc5OC;COc1cc(ccc1O)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2;COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4","InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)","","2005-10-10","2011-06-04","4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol",""],["OF2","2 FERRIC ION, 1 BRIDGING OXYGEN","Fe2 O","[Fe+3]O[Fe+3];O([Fe+3])[Fe+3]","InChI=1/2Fe.O/q2*+3;/rFe2O/c1-3-2/q+6","","2001-12-10","2008-10-14","",""],["OF3","FERRIC ION, 1 WATER COORDINATED","Fe H2 O","O|[Fe+3];[OH2][Fe+3]","InChI=1/Fe.H2O/h;1H2/q+3;/rFeH2O/c1-2/h2H2/q+3","","2000-03-01","2008-10-14","",""],["ABP","8-BROMOADENOSINE-5'-DIPHOSPHATE","C10 H14 Br N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2c(Br)nc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","8-bromoadenosine 5'-(trihydrogen diphosphate)",""],["OF4","2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid","C22 H19 N5 O4","c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc3)N=C(NC4=O)N;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)NCc4ccccc4C(O)=O)c2C(=O)N1;c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O","InChI=1S/C22H19N5O4/c23-22-26-18-17(20(29)27-22)15(11-24-18)9-12-5-7-13(8-6-12)19(28)25-10-14-3-1-2-4-16(14)21(30)31/h1-8,11H,9-10H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29)","","2019-06-24","2019-09-27","2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid","2019-10-02"],["ABQ","[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3S,4R)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone","C24 H24 F N7 O2","Fc1ccc(cc1)C5COCC5Nc4nc(C(=O)c3c2c(ncnc2n(c3)C(C)C)N)cnc4;CC(C)n1cc(C(=O)c2cncc(N[CH]3COC[CH]3c4ccc(F)cc4)n2)c5c(N)ncnc15;CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NC4COCC4c5ccc(cc5)F","InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1","","2011-05-10","2011-11-11","[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3S,4R)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone",""],["OF5","1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone","C17 H16 N2 O3","COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O;CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC","InChI=1S/C17H16N2O3/c1-11(20)15-10-14(17-18-7-4-8-19(15)17)13-9-12(21-2)5-6-16(13)22-3/h4-10H,1-3H3","","2020-03-02","2021-03-26","1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone","2021-03-31"],["ABR","(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C18 H22 N5 O7 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCC(O)c3ccccc3)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NC[CH](O)c4ccccc4)ncnc23;c1ccc(cc1)C(CNc2c3c(ncn2)n(cn3)C4CC(C(O4)COP(=O)(O)O)O)O","InChI=1S/C18H22N5O7P/c24-12-6-15(30-14(12)8-29-31(26,27)28)23-10-22-16-17(20-9-21-18(16)23)19-7-13(25)11-4-2-1-3-5-11/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,21)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1","","2001-10-12","2011-06-04","2'-deoxy-N-[(2R)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)",""],["ABS","(S)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C18 H22 N5 O7 P","O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCC(O)c3ccccc3)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NC[CH](O)c4ccccc4)ncnc23;c1ccc(cc1)C(CNc2c3c(ncn2)n(cn3)C4CC(C(O4)COP(=O)(O)O)O)O","InChI=1S/C18H22N5O7P/c24-12-6-15(30-14(12)8-29-31(26,27)28)23-10-22-16-17(20-9-21-18(16)23)19-7-13(25)11-4-2-1-3-5-11/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,21)(H2,26,27,28)/t12-,13+,14+,15+/m0/s1","","2001-10-12","2011-06-04","2'-deoxy-N-[(2S)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)",""],["OF6","1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine","C11 H11 Cl N2 S","CNCc1csc(n1)c2cccc(Cl)c2;CNCc1csc(n1)c2cccc(c2)Cl","InChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3","1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine","2022-09-06","2022-11-18","1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine","2022-11-23"],["OF7","[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid","C22 H19 N5 O4","N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4ccccc4CC(=O)O)N;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4CC(O)=O)c2C(=O)N1;c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N","InChI=1S/C22H19N5O4/c23-22-26-19-18(21(31)27-22)15(11-24-19)9-12-5-7-13(8-6-12)20(30)25-16-4-2-1-3-14(16)10-17(28)29/h1-8,11H,9-10H2,(H,25,30)(H,28,29)(H4,23,24,26,27,31)","","2019-06-24","2019-09-27","[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid","2019-10-02"],["ABT","3'-AZIDO-3'-DEOXY-THYMIDINE-5'-ALPHA BORANO TRIPHOSPHATE","C10 H17 B N5 O12 P3","O=P(O)(O)OP(=O)(O)OP(=B)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2N=[N+]=[N-];CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(=B)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;B=P(O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H17BN5O12P3/c1-5-3-16(10(18)13-9(5)17)8-2-6(14-15-12)7(26-8)4-25-29(11,19)27-31(23,24)28-30(20,21)22/h3,6-8,11,19H,2,4H2,1H3,(H,23,24)(H,13,17,18)(H2,20,21,22)/t6-,7+,8+,29+/m0/s1","","2002-09-10","2012-01-05","3'-azido-5'-O-[(1E,3S)-1-boranylidene-1,3,5,5-tetrahydroxy-3,5-dioxido-1lambda~5~-triphosphoxanyl]-3'-deoxythymidine",""],["ABU","GAMMA-AMINO-BUTANOIC ACID","C4 H9 N O2","O=C(O)CCCN;NCCCC(O)=O;C(CC(=O)O)CN","InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","GAMMA(AMINO)-BUTYRIC ACID","1999-07-08","2024-09-27","4-aminobutanoic acid",""],["OF8","1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone","C14 H11 N3 O","CC(=O)c1cc(c2ccccn2)c3ncccn13;CC(=O)c1cc(c2n1cccn2)c3ccccn3","InChI=1S/C14H11N3O/c1-10(18)13-9-11(12-5-2-3-6-15-12)14-16-7-4-8-17(13)14/h2-9H,1H3","","2020-03-02","2021-03-26","1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone","2021-03-31"],["ABV","1,3-benzothiazol-2-amine","C7 H6 N2 S","n1c2ccccc2sc1N;Nc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)N","InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)","2-Aminobenzothiazole","2010-04-12","2020-06-17","1,3-benzothiazol-2-amine",""],["OF9","(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide","C28 H32 F4 N4 O4","O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccccn4;c1ccc(cc1)CC(C(C(=O)NCc2ccccn2)O)NC(=O)C3CC(CN3C(=O)C4CCC(CC4)(F)F)(F)F","InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1","","2023-01-31","2024-09-27","(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide","2023-08-16"],["ABW","5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID","C14 H23 N O6","O=C(NC(C1OC(C(=O)O)CC1C(=O)OC)CC(C)C)C;COC(=O)[CH]1C[CH](O[CH]1[CH](CC(C)C)NC(C)=O)C(O)=O;CC(C)CC(C1C(CC(O1)C(=O)O)C(=O)OC)NC(=O)C","InChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)/t9-,10+,11-,12-/m1/s1","","2004-10-18","2011-06-04","(5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)-L-threo-pentonic acid",""],["OFB","3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","C24 H19 F O6 S","c1(O)ccc(cc1)C2=C(C3OC2CC3S(=O)(Oc4cccc(c4)F)=O)c5ccc(cc5)O;Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc(F)c4)c5ccc(O)cc5;c1cc(cc(c1)F)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C24H19FO6S/c25-16-2-1-3-19(12-16)31-32(28,29)21-13-20-22(14-4-8-17(26)9-5-14)23(24(21)30-20)15-6-10-18(27)11-7-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1","","2015-05-07","2016-04-29","3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate","2016-05-04"],["OFC","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one","C9 H13 F N3 O7 P","O=P(O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1","","2021-05-04","2022-03-11","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one","2022-03-16"],["ABX","5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE","C14 H24 N2 O5","O=C(NC(C1NC(C(=O)O)CC1C(=O)OC)CC(C)C)C;COC(=O)[CH]1C[CH](N[CH]1[CH](CC(C)C)NC(C)=O)C(O)=O;CC(C)CC(C1C(CC(N1)C(=O)O)C(=O)OC)NC(=O)C","InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1","","2004-10-18","2011-06-04","(4R,5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)-D-proline",""],["OFD","[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid","C23 H18 N6 O4","O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4cc(ccc4CC(=O)O)C#N;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc(ccc4CC(O)=O)C#N)c2C(=O)N1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N","InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33)","","2019-06-24","2019-09-27","[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid","2019-10-02"],["ABY","N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE","C17 H25 N3 O5 S","O=C(O)CNC(=O)C(NC(=O)CCCN)CSCc1ccc(OC)cc1;COc1ccc(CSC[CH](NC(=O)CCCN)C(=O)NCC(O)=O)cc1;COc1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCCN","InChI=1S/C17H25N3O5S/c1-25-13-6-4-12(5-7-13)10-26-11-14(17(24)19-9-16(22)23)20-15(21)3-2-8-18/h4-7,14H,2-3,8-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t14-/m0/s1","","2003-06-09","2011-06-04","N-(4-aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine",""],["OFE","Iron(II) oxide","Fe O","[Fe]=O;O=[Fe];O=[Fe]","InChI=1S/Fe.O","ferrous oxide","2011-05-20","2021-03-01","oxoiron",""],["ABZ","4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE","C19 H14 Cl N7","N#Cc1ccc(cc1)Nc2nc(nc(n2)Cc3c(Cl)ccc4c3ccn4)N;Nc1nc(Cc2c(Cl)ccc3[nH]ccc23)nc(Nc4ccc(cc4)C#N)n1;c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl","InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27)","","2001-12-07","2024-09-27","4-({4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl}amino)benzonitrile",""],["AC0","1-PHENYLETHANONE","C8 H8 O","O=C(c1ccccc1)C;CC(=O)c1ccccc1;CC(=O)c1ccccc1","InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3","ACETOPHENONE","2005-05-10","2024-09-27","1-phenylethanone",""],["OFF","2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID","C23 H20 O10","O=C(O)C(OC(=O)C=Cc1ccc(O)cc1)C(OC(=O)/C=C/c2ccc(O)cc2)CC(=O)O;OC(=O)C[CH](OC(=O)C=Cc1ccc(O)cc1)[CH](OC(=O)C=Cc2ccc(O)cc2)C(O)=O;c1cc(ccc1C=CC(=O)OC(CC(=O)O)C(C(=O)O)OC(=O)C=Cc2ccc(cc2)O)O","InChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1","2,3-BIS((E)-3-(4-HYDROXYPHENYL)ACRYLOYLOXY)PENTANEDIOIC ACID","2007-01-26","2021-03-13","2-deoxy-3,4-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-L-threo-pentaric acid",""],["OFG","3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine","C19 H18 F N7 O","Fc1cc(c(cc1)n2nccn2)C(Oc4cc(c3cnnc3C)cnc4N)C;C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc3n4nccn4;Cc1c(c[nH]n1)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F","InChI=1S/C19H18FN7O/c1-11-16(10-23-26-11)13-7-18(19(21)22-9-13)28-12(2)15-8-14(20)3-4-17(15)27-24-5-6-25-27/h3-10,12H,1-2H3,(H2,21,22)(H,23,26)/t12-/m1/s1","","2013-10-21","2014-09-05","3-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine","2014-01-29"],["AC1","4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose","C13 H23 N O8","OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O;CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO","InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1","6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL;\n4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucose;\n4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-D-glucose;\n4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-glucose","1999-09-21","2020-07-17","4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose",""],["AC2","9-HYROXYETHOXYMETHYLGUANINE","C8 H11 N5 O3","O=C1c2ncn(c2N=C(N1)N)COCCO;NC1=Nc2n(COCCO)cnc2C(=O)N1;c1nc2c(n1COCCO)N=C(NC2=O)N","InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)","","1999-07-08","2011-06-04","2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one",""],["OFH","(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide","C23 H24 Cl F6 N3 O5 S","O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4;C[CH](Oc1ccc(c(Cl)c1)[S](=O)(=O)[CH]2C[CH](N(C2)C(=O)C3(CC3)C(F)(F)F)C(=O)NC4(CC4)C=N)C(F)(F)F;CC(C(F)(F)F)Oc1ccc(c(c1)Cl)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)C(F)(F)F)C(=O)NC4(CC4)C=N","InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1","","2013-05-28","2024-09-27","(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide","2014-06-11"],["OFI","N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide","C17 H17 N3 O2","CCCC(=O)Nc1n[nH]c2cc(ccc12)c3ccc(O)cc3;CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O","InChI=1S/C17H17N3O2/c1-2-3-16(22)18-17-14-9-6-12(10-15(14)19-20-17)11-4-7-13(21)8-5-11/h4-10,21H,2-3H2,1H3,(H2,18,19,20,22)","","2010-01-20","2011-06-04","N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide",""],["AC4","AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE","C9 H15 N4 O8 P","O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N;NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N","InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1/f/h17-18H,11H2","AICAR","2002-08-14","2008-10-14","5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide",""],["AC5","1-AMINOCYCLOPENTANECARBOXYLIC ACID","C6 H11 N O2","O=C(O)C1(N)CCCC1;NC1(CCCC1)C(O)=O;C1CCC(C1)(C(=O)O)N","InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)","CYCLO-LEUCINE","2004-11-22","2024-09-27","1-aminocyclopentanecarboxylic acid",""],["OFJ","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid","C22 H18 N6 O5","c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O)C(NC(=N4)N)=O;NC(=O)c1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4N=C(N)NC(=O)c34)cc2)c1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N","InChI=1S/C22H18N6O5/c23-17(29)12-5-6-14(21(32)33)15(8-12)26-19(30)11-3-1-10(2-4-11)7-13-9-25-18-16(13)20(31)28-22(24)27-18/h1-6,8-9H,7H2,(H2,23,29)(H,26,30)(H,32,33)(H4,24,25,27,28,31)","","2019-06-24","2019-09-27","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid","2019-10-02"],["OFK","1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone","C15 H12 N2 O","CC(=O)c1cc(c2ccccc2)c3ncccn13;CC(=O)c1cc(c2n1cccn2)c3ccccc3","InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3","","2020-03-02","2021-03-26","1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone","2021-03-31"],["AC6","P-HYDROXYACETOPHENONE","C8 H8 O2","O=C(c1ccc(O)cc1)C;CC(=O)c1ccc(O)cc1;CC(=O)c1ccc(cc1)O","InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3","","2006-04-21","2011-06-04","1-(4-hydroxyphenyl)ethanone",""],["AC7","dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)","C27 H26 N2 O8","COC(=O)CCCC=C(c1cc(C#N)c(OC)c(c1)C(=O)OC)c2cc(C#N)c(OC)c(c2)C(=O)OC;COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N","InChI=1S/C27H26N2O8/c1-33-23(30)9-7-6-8-20(16-10-18(14-28)24(34-2)21(12-16)26(31)36-4)17-11-19(15-29)25(35-3)22(13-17)27(32)37-5/h8,10-13H,6-7,9H2,1-5H3","","2009-08-27","2012-01-05","",""],["OFL","O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID","C14 H10 F3 N O2","FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1;OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F;c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F","InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)","","2000-01-28","2011-06-04","2-{[2-(trifluoromethyl)phenyl]amino}benzoic acid",""],["OFM","[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene\n)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C24 H24 N4 O6","O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4;C[CH]1O[C](O)(N=C1C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O)[CH](N)Cc4ccccc4;CC1C(=NC(O1)(C(Cc2ccccc2)N)O)C3=NC(=Cc4ccc(cc4)O)C(=O)N3CC(=O)O","InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2014-04-30","2024-09-27","[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","2014-07-08"],["AC8","[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate","C21 H37 N7 O19 P4 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C21H37N7O19P4S/c1-21(2,16(30)19(31)24-4-3-12(29)23-5-6-52)8-43-51(40,41)47-50(38,39)42-7-11-14(45-48(32,33)34)15(46-49(35,36)37)20(44-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30,52H,3-8H2,1-2H3,(H,23,29)(H,24,31)(H,38,39)(H,40,41)(H2,22,25,26)(H2,32,33,34)(H2,35,36,37)/t11-,14-,15-,16+,20-/m1/s1","","2013-10-01","2013-11-01","[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)","2013-11-06"],["AC9","TRISACETYLACETONATOCHROMIUM(III)","C15 H21 Cr O6","CC(=O)C=C(C)O[Cr](OC(=CC(=O)C)C)OC(=CC(=O)C)C;CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C","InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;","","2005-07-06","2023-09-23","2,4,8,10,13,15-hexamethyl-1,5$l^{3},7,11$l^{3},12,16$l^{3}-hexaoxa-6$l^{6}-chromaspiro[5.5^{6}.5^{6}]hexadeca-2,4,8,10,13,15-hexaene",""],["OFN","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate","C41 H72 N7 O18 P3 S","CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1","","2020-03-02","2024-09-27","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate","2020-05-13"],["OFO","HYDROXY DIIRON-OXO MOIETY","Fe2 H O2","O[Fe]O[Fe];O[Fe]O[Fe]","InChI=1S/2Fe.H2O.O/h;;1H2;/q;+1;;/p-1","","1999-07-08","2011-06-04","hydroxyferriooxyiron",""],["ACA","6-AMINOHEXANOIC ACID","C6 H13 N O2","O=C(O)CCCCCN;NCCCCCC(O)=O;C(CCC(=O)O)CCN","InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)","AMINOCAPROIC ACID","1999-07-08","2024-09-27","6-aminohexanoic acid",""],["ACB","3-METHYL-BETA-D-ASPARTIC ACID","C5 H9 N O4","O=C(O)C(N)C(C(=O)O)C;C[CH]([CH](N)C(O)=O)C(O)=O;CC(C(C(=O)O)N)C(=O)O","InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1","(3S)-3-methyl-D-aspartic acid; D-METHYL ASPARTIC ACID","1999-07-08","2024-09-27","(3S)-3-methyl-D-aspartic acid",""],["OFQ","(2-azanyl-2-adamantyl)methanol","C11 H19 N O","NC1(CO)C2CC3CC(C2)CC1C3;C1C2CC3CC1CC(C2)C3(CO)N","InChI=1S/C11H19NO/c12-11(6-13)9-2-7-1-8(4-9)5-10(11)3-7/h7-10,13H,1-6,12H2/t7-,8+,9-,10+,11-","","2020-03-03","2020-03-06","(2-azanyl-2-adamantyl)methanol","2020-03-11"],["ACC","N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE","C13 H24 N3 O6 S2","O=C(O)C(NC(=O)C(NC(=O)CCCC(C(=O)O)[NH3+])CS)CSC;CSC[CH](NC(=O)[CH](CS)NC(=O)CCC[CH]([NH3+])C(O)=O)C(O)=O;CSCC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)[NH3+]","InChI=1S/C13H23N3O6S2/c1-24-6-9(13(21)22)16-11(18)8(5-23)15-10(17)4-2-3-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/p+1/t7-,8-,9+/m0/s1","","1999-07-08","2011-06-04","N-[(5S)-5-ammonio-5-carboxypentanoyl]-L-cysteinyl-S-methyl-D-cysteine",""],["OFR","prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate","C21 H23 N3 O4","O=C(OCC=C)C1=C(C)NC2=C(C1c1ccc(C)cc1)C(=O)NC(=O)N2CC;CCN1C(=O)NC(=O)C2=C1NC(=C([CH]2c3ccc(C)cc3)C(=O)OCC=C)C;CCN1C2=C(C(C(=C(N2)C)C(=O)OCC=C)c3ccc(cc3)C)C(=O)NC1=O","InChI=1S/C21H23N3O4/c1-5-11-28-20(26)15-13(4)22-18-17(19(25)23-21(27)24(18)6-2)16(15)14-9-7-12(3)8-10-14/h5,7-10,16,22H,1,6,11H2,2-4H3,(H,23,25,27)/t16-/m1/s1","","2022-04-28","2022-08-19","prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate","2022-08-24"],["ACD","ARACHIDONIC ACID","C20 H32 O2","O=C(O)CCCC=C/CC=C/CC=C/CC=C/CCCCC;CCCCCC=CCC=CCC=CCC=CCCCC(O)=O;CCCCCC=CCC=CCC=CCC=CCCCC(=O)O","InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-","","1999-07-08","2024-09-27","(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",""],["OFT","(3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide","C20 H20 N4 O4 S","O=S(=O)(c1cc2c(cc1)NC(=O)C/2=C4C(=NO)c3ccccc3N4)N(CC)CC;CCN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=NO)c2c1;CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2","InChI=1S/C20H20N4O4S/c1-3-24(4-2)29(27,28)12-9-10-16-14(11-12)17(20(25)22-16)19-18(23-26)13-7-5-6-8-15(13)21-19/h5-11,21,26H,3-4H2,1-2H3,(H,22,25)/b19-17-,23-18+","","2011-06-13","2012-06-08","(3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide",""],["OFU","(4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile","C23 H28 N7 O2 S","C[CH](Oc1ccnc(n1)c2noc(n2)[C]3(C)CCCc4sc(N)c(C#N)c34)[CH]5CCC[NH+]5C;CC(C1CCC[NH+]1C)Oc2ccnc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C","InChI=1S/C23H27N7O2S/c1-13(15-6-5-11-30(15)3)31-17-8-10-26-20(27-17)21-28-22(32-29-21)23(2)9-4-7-16-18(23)14(12-24)19(25)33-16/h8,10,13,15H,4-7,9,11,25H2,1-3H3/p+1/t13-,15-,23-/m0/s1","","2022-09-06","2023-06-02","(4~{S})-2-azanyl-4-methyl-4-[3-[4-[(1~{S})-1-[(2~{S})-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2023-06-07"],["ACE","ACETYL GROUP","C2 H4 O","O=CC;CC=O;CC=O","InChI=1S/C2H4O/c1-2-3/h2H,1H3","","1999-07-08","2025-12-15","acetaldehyde",""],["OFW","(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide","C26 H35 N5 O6 S","C[C]1(CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6;CC1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N","InChI=1S/C26H35N5O6S/c1-25(24(34)29-14-26(27)18-9-16-8-17(11-18)12-19(26)10-16)15-30(6-7-37-25)38(35,36)20-2-3-21(28-13-20)31-22(32)4-5-23(31)33/h2-3,13,16-19H,4-12,14-15,27H2,1H3,(H,29,34)/t16-,17+,18-,19+,25-,26-/m1/s1","","2020-03-03","2020-03-06","(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide","2020-03-11"],["ACF","3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID","C18 H24 Cl N3 O4","O=C(O)c3cc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(Cl)cc3;NC[CH]1CCCN1C(=O)[CH]2CC[CH](COc3cc(ccc3Cl)C(O)=O)N2;c1cc(c(cc1C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3CN)Cl","InChI=1S/C18H24ClN3O4/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,5,8,12-13,15,21H,1-2,4,6-7,9-10,20H2,(H,24,25)/t12-,13+,15+/m1/s1","","2006-03-09","2024-09-27","3-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid",""],["OFX","2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide","C20 H21 N7 O","O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(cc1)N(C)C;CN(C)c1ccc(cc1)N(Cc2[nH]ncc2)C(=O)Cn3nnc4ccccc34;CN(C)c1ccc(cc1)N(Cc2ccn[nH]2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C20H21N7O/c1-25(2)16-7-9-17(10-8-16)26(13-15-11-12-21-22-15)20(28)14-27-19-6-4-3-5-18(19)23-24-27/h3-12H,13-14H2,1-2H3,(H,21,22)","","2023-08-17","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide","2023-11-08"],["ACG","MODIFIED ACARBOSE PENTASACCHARIDE","C31 H53 N O22","O(C1C(OC(O)C(O)C1O)CO)C5OC(C(OC4OC(C)C(NC3C=C(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](N[CH]3[CH](C)O[CH](O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O)O[CH]5CO)[CH](O)[CH]3O)C=C2CO)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)OC5C(C(C(C(O5)C)O)O)O)CO","InChI=1S/C31H53NO22/c1-7-13(32-10-3-9(4-33)25(18(40)15(10)37)52-30-23(45)17(39)14(36)8(2)49-30)16(38)22(44)29(48-7)53-27-12(6-35)51-31(24(46)20(27)42)54-26-11(5-34)50-28(47)21(43)19(26)41/h3,7-8,10-47H,4-6H2,1-2H3/t7-,8-,10+,11-,12-,13-,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1","","2002-07-08","2011-06-04","4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-deoxy-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["OFZ","1-(2-adamantylmethyl)-3-ethyl-guanidine","C14 H25 N3","CCNC(=N)NCC1C2CC3CC(C2)CC1C3;CCNC(=N)NCC1C2CC3CC(C2)CC1C3","InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13-","","2020-03-03","2020-03-06","1-(2-adamantylmethyl)-3-ethyl-guanidine","2020-03-11"],["ACH","ACETYLCHOLINE","C7 H16 N O2","O=C(OCC[N+](C)(C)C)C;CC(=O)OCC[N+](C)(C)C;CC(=O)OCC[N+](C)(C)C","InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1","","1999-07-08","2024-09-27","2-(acetyloxy)-N,N,N-trimethylethanaminium",""],["OG0","7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C22 H26 N6 O2","CNC(=O)c1ccc(cc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1;CNC(=O)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)C(=O)N(C)C)cc1;CNC(=O)c1ccc(cc1)Nc2ncc3cc(n(c3n2)C4CCCC4)C(=O)N(C)C","InChI=1S/C22H26N6O2/c1-23-20(29)14-8-10-16(11-9-14)25-22-24-13-15-12-18(21(30)27(2)3)28(19(15)26-22)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3,(H,23,29)(H,24,25,26)","","2022-04-29","2025-01-10","7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2025-01-15"],["ACI","6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL","C7 H13 N O4","OC1C(N)C=C(C(O)C1O)CO;N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O;C1=C(C(C(C(C1N)O)O)O)CO","InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1","","1999-07-08","2012-12-21","(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",""],["OG1","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid","C22 H16 N6 O4","c14c(c(cn1)Cc2ccc(cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N4)N;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc(ccc4C(O)=O)C#N)c2C(=O)N1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N","InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30)","","2019-06-24","2019-09-27","2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid","2019-10-02"],["ACJ","5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID","C14 H7 Cl F3 N O5","Clc2cc(ccc2Oc1cc(C(=O)O)c([N+]([O-])=O)cc1)C(F)(F)F;OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O;c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-]","InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)","","2006-06-12","2011-06-04","5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid",""],["OG2","1-(1-adamantyl)-3-ethyl-guanidine","C13 H23 N3","CCNC(=N)NC12CC3CC(CC(C3)C1)C2;CCNC(=N)NC12CC3CC(C1)CC(C3)C2","InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)/t9-,10+,11-,13-","","2020-03-03","2020-03-06","1-(1-adamantyl)-3-ethyl-guanidine","2020-03-11"],["ACK","2',3'- cyclic AMP","C10 H12 N5 O6 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=O)(O4)O)N","InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1","","2006-06-16","2017-12-13","[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(6-aminopurin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol",""],["ACL","DEOXY-CHLOROMETHYL-ARGININE","C7 H15 Cl N4 O","ClCC(=O)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)C(=O)CCl;C(CC(C(=O)CCl)N)CNC(=N)N","InChI=1S/C7H15ClN4O/c8-4-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,9H2,(H4,10,11,12)/t5-/m0/s1","","1999-08-31","2011-08-06","1-[(4S)-4-amino-6-chloro-5-oxohexyl]guanidine",""],["OG3","(1~{R})-1-(4-chlorophenyl)ethanamine","C8 H10 Cl N","C[CH](N)c1ccc(Cl)cc1;CC(c1ccc(cc1)Cl)N","InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1","(R)-1-(4-chlorophenyl)ethan-1-amine","2022-09-07","2022-11-18","(1~{R})-1-(4-chlorophenyl)ethanamine","2022-11-23"],["OG4","3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid","C23 H21 N5 O4","c14c(C(=O)NC(=N1)N)c(Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4CCC(O)=O)c2C(=O)N1;c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N","InChI=1S/C23H21N5O4/c24-23-27-20-19(22(32)28-23)16(12-25-20)11-13-5-7-15(8-6-13)21(31)26-17-4-2-1-3-14(17)9-10-18(29)30/h1-8,12H,9-11H2,(H,26,31)(H,29,30)(H4,24,25,27,28,32)","","2019-06-24","2019-09-27","3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid","2019-10-02"],["ACM","ACETAMIDE","C2 H5 N O","O=C(N)C;CC(N)=O;CC(=O)N","InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","","1999-07-08","2024-09-27","acetamide",""],["OG5","(3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide","C29 H35 N5 O5 S","NC1(CNC(=O)C[CH](N[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6;c1ccc(cc1)C(CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O","InChI=1S/C29H35N5O5S/c30-29(21-11-18-10-19(13-21)14-22(29)12-18)17-32-26(35)15-24(20-4-2-1-3-5-20)33-40(38,39)23-6-7-25(31-16-23)34-27(36)8-9-28(34)37/h1-7,16,18-19,21-22,24,33H,8-15,17,30H2,(H,32,35)/t18-,19+,21-,22+,24-,29-/m1/s1","","2020-03-03","2020-03-06","(3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide","2020-03-11"],["ACN","ACETONE","C3 H6 O","O=C(C)C;CC(C)=O;CC(=O)C","InChI=1S/C3H6O/c1-3(2)4/h1-2H3","","1999-07-08","2024-09-27","propan-2-one",""],["OG6","6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione","C5 H6 N2 O4","OC(O)C1=CC(=O)NC(=O)N1;C1=C(NC(=O)NC1=O)C(O)O","InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)","6-Formyl-uracil hydrate","2023-02-01","2023-07-07","6-[bis(oxidanyl)methyl]-1~{H}-pyrimidine-2,4-dione","2023-07-12"],["ACO","ACETYL COENZYME *A","C23 H38 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C;CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1","","1999-07-08","2025-06-26","S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} ethanethioate (non-preferred name)",""],["ACP","PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER","C11 H18 N5 O12 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N","InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE","1999-07-08","2021-03-13","5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine",""],["OG7","2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid","C21 H17 N5 O4","c1cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=NC3=O)N)nc4;NC1=NC(=O)c2c(Cc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)c[nH]c2N1;c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N","InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)","","2019-06-24","2019-09-27","2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid","2019-10-02"],["OG8","1-(1-adamantylmethyl)guanidine","C12 H21 N3","NC(=N)NCC12CC3CC(CC(C3)C1)C2;C1C2CC3CC1CC(C2)(C3)CNC(=N)N","InChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15)/t8-,9+,10-,12-","","2020-03-03","2020-03-06","1-(1-adamantylmethyl)guanidine","2020-03-11"],["ACQ","DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER","C11 H19 N5 O15 P4","O=P(O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-35(26,27)31-33(21,22)4-32(19,20)30-34(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1","ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TETRAPHOSPHATE","2001-06-12","2021-03-13","5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosine",""],["ACR","ALPHA-ACARBOSE","C25 H43 N O18","O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](O)[CH](O)[CH]4O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO","InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-/m1/s1","1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-TRIHYDROXYCYCLOHEX-5,6-ENYL)AMINO)FRUCTOSE","1999-07-08","2020-07-17","4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["OG9","(pyren-1-yl)acetic acid","C18 H12 O2","O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34;OC(=O)Cc1ccc2ccc3cccc4ccc1c2c34;c1cc2ccc3ccc(c4c3c2c(c1)cc4)CC(=O)O","InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)","","2022-04-29","2024-09-27","(pyren-1-yl)acetic acid","2023-05-10"],["ACS","1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE","C13 H21 N3 O7 S2","O=S(CC(C(=O)O)N1C(=O)C(NC(=O)CCCC(C(=O)O)N)C1S)C;C[S](=O)C[CH](N1[CH](S)[CH](NC(=O)CCC[CH](N)C(O)=O)C1=O)C(O)=O;CS(=O)CC(C(=O)O)N1C(C(C1=O)NC(=O)CCCC(C(=O)O)N)S","InChI=1S/C13H21N3O7S2/c1-25(23)5-7(13(21)22)16-10(18)9(11(16)24)15-8(17)4-2-3-6(14)12(19)20/h6-7,9,11,24H,2-5,14H2,1H3,(H,15,17)(H,19,20)(H,21,22)/t6-,7+,9+,11+,25-/m0/s1","","1999-07-08","2012-01-05","N~6~-[(3R,4R)-1-{(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl}-2-oxo-4-sulfanylazetidin-3-yl]-6-oxo-L-lysine",""],["OGA","N-OXALYLGLYCINE","C4 H5 N O5","O=C(O)C(=O)NCC(=O)O;OC(=O)CNC(=O)C(O)=O;C(C(=O)O)NC(=O)C(=O)O","InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)","","2002-08-12","2011-06-04","N-(carboxycarbonyl)glycine",""],["ACT","ACETATE ION","C2 H3 O2","[O-]C(=O)C;CC([O-])=O;CC(=O)[O-]","InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1","","1999-07-08","2024-09-27","acetate",""],["OGB","methyl isoquinoline-5-carboxylate","C11 H9 N O2","COC(=O)c1cccc2cnccc12;COC(=O)c1cccc2c1ccnc2","InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3","","2020-03-04","2021-03-26","methyl isoquinoline-5-carboxylate","2021-03-31"],["OGC","gamma-N-methyl-beta-OH-histidine","C7 H11 N3 O3","Cn1cncc1[CH](O)[CH](N)C(O)=O;Cn1cncc1C(C(C(=O)O)N)O","InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1","(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid; 3-(1H-imidazol-3-ium-4-yl)-L-alanine","2022-09-07","2024-09-27","(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid","2023-08-16"],["ACU","ACETALDEHYDE","C2 H4 O","O=CC;CC=O;CC=O","InChI=1/C2H4O/c1-2-3/h2H,1H3","","2004-06-10","2008-10-14","acetaldehyde",""],["ACV","L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE","C14 H25 N3 O6 S","O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS;CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1","","1999-07-08","2011-06-04","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine",""],["OGE","1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea","C8 H10 Br N3 O2","OCCNC(=O)Nc1ccc(Br)cn1;c1cc(ncc1Br)NC(=O)NCCO","InChI=1S/C8H10BrN3O2/c9-6-1-2-7(11-5-6)12-8(14)10-3-4-13/h1-2,5,13H,3-4H2,(H2,10,11,12,14)","","2020-03-05","2020-06-12","1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea","2020-06-17"],["OGF","2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide","C21 H20 N6 O2 S","O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1;CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34;CNC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3","InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29)","","2023-08-17","2023-11-03","2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide","2023-11-08"],["ACW","D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE","C15 H25 N3 O6 S","O=C(NC(C(=O)O)C1(C)CC1)C(NC(=O)CCCC(C(=O)O)N)CS;CC1(CC1)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC1(CC1)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C15H25N3O6S/c1-15(5-6-15)11(14(23)24)18-12(20)9(7-25)17-10(19)4-2-3-8(16)13(21)22/h8-9,11,25H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,11-/m0/s1","","2006-06-13","2011-06-04","N~6~-[(1R)-2-{[(R)-carboxy(1-methylcyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["ACX","ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)","C36 H60 O30","O1C7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO;OC[CH]1O[CH]2O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]1[CH](O)[CH]2O;C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O","InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1","","1999-07-08","2020-07-17","(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)",""],["OGG","2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE","C6 H12 N2 O4","O=C(N)COCCOCC(=O)N;NC(=O)COCCOCC(N)=O;C(COCC(=O)N)OCC(=O)N","InChI=1S/C6H12N2O4/c7-5(9)3-11-1-2-12-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)","","2004-02-02","2011-06-04","2,2'-[ethane-1,2-diylbis(oxy)]diacetamide",""],["OGH","4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine","C21 H21 F N8 O","CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6C(N)[CH]6C5)c23;Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6C(C5)C6N","InChI=1S/C21H21FN8O/c1-9-25-5-11(6-26-9)31-21-28-19-16(12-3-10(22)4-15(24-2)18(12)27-19)20(29-21)30-7-13-14(8-30)17(13)23/h3-6,13-14,17,24H,7-8,23H2,1-2H3,(H,27,28,29)/t13-,14+,17+","","2020-03-05","2020-08-07","4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine","2020-08-12"],["ACY","ACETIC ACID","C2 H4 O2","O=C(O)C;CC(O)=O;CC(=O)O","InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)","","1999-07-08","2024-09-27","acetic acid",""],["ACZ","CIS-AMICLENOMYCIN","C10 H16 N2 O2","O=C(O)C(N)CCC1C=CC(N)C=C1;N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O;C1=CC(C=CC1CCC(C(=O)O)N)N","InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8?,9-/m0/s1","2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID","2002-09-05","2020-06-17","(2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid",""],["OGJ","(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol","C28 H28 F N O4","C4(c2ccc(OCCN1CC(C1)CF)cc2)Oc3ccc(cc3C(=C4c5cccc(c5)O)C)O;CC1=C([CH](Oc2ccc(O)cc12)c3ccc(OCCN4CC(CF)C4)cc3)c5cccc(O)c5;CC1=C(C(Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O","InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1","","2019-06-24","2019-07-12","(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol","2019-07-17"],["AD1","(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione","C9 H9 N O3","O=C1C=C2C(=CC1=O)N(CC2O)C;CN1C[CH](O)C2=CC(=O)C(=O)C=C12;CN1CC(C2=CC(=O)C(=O)C=C21)O","InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3/t9-/m1/s1","","2007-08-10","2011-06-04","(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione",""],["OGK","(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid","C18 H27 N O4","O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23;CC[CH]1C[CH]2[CH](CCC2=O)[CH](C1)C(=O)N[C]3(C[CH]3CC)C(O)=O;CCC1CC2C(CCC2=O)C(C1)C(=O)NC3(CC3CC)C(=O)O","InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1","Coronatine","2010-09-07","2020-06-17","(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid",""],["AD2","2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE","C10 H15 N5 O9 P2","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3OP(=O)(O)O;Nc1ncnc2n(cnc12)[CH]3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N","InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1","","2002-03-06","2011-06-04","2'-deoxyadenosine 3',5'-bis(dihydrogen phosphate)",""],["OGM","methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate","C10 H17 N3 O3","COC(=O)NCCCCc1nc(CO)cn1;COC(=O)NCCCCc1[nH]c(CO)cn1;COC(=O)NCCCCc1[nH]c(cn1)CO","InChI=1S/C10H17N3O3/c1-16-10(15)11-5-3-2-4-9-12-6-8(7-14)13-9/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)","","2019-06-24","2019-12-06","methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate","2019-12-11"],["OGN","[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate","C15 H19 N3 O7","O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1","Gal-PUGNAc","2011-09-22","2020-06-17","N-[(2Z,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)",""],["AD3","3-DEAZA-ADENOSINE","C11 H14 N4 O4","n1c3c(n(c1)C2OC(C(O)C2O)CO)ccnc3N;Nc1nccc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1cnc(c2c1n(cn2)C3C(C(C(O3)CO)O)O)N","InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1","","2000-12-18","2011-06-04","1-beta-D-ribofuranosyl-1H-imidazo[4,5-c]pyridin-4-amine",""],["AD4","(3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE","C47 H75 N O14","O=C(OC(C)(C)C)NCCCCCCCCCCCC(=O)OC2CC(OC(=O)C)(C1C(=C(C(OC(=O)C(=C/C)C)C1OC(=O)CCCCCCC)C)C3OC(=O)C(O)(C)C23O)C;CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)C;CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)(C(C(=O)O3)(C)O)O","InChI=1S/C47H75NO14/c1-11-13-14-20-23-27-35(51)58-39-37-36(31(4)38(39)59-41(52)30(3)12-2)40-47(56,46(10,55)42(53)60-40)33(29-45(37,9)61-32(5)49)57-34(50)26-24-21-18-16-15-17-19-22-25-28-48-43(54)62-44(6,7)8/h12,33,37-40,55-56H,11,13-29H2,1-10H3,(H,48,54)/b30-12-/t33-,37+,38-,39-,40-,45-,46+,47+/m0/s1","((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL)","2006-10-19","2021-03-01","(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate",""],["OGO","4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one","C20 H18 N2 O4","O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1;COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34;COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4","InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)","","2023-08-17","2023-11-03","4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one","2023-11-08"],["OGQ","[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C33 H32 N3 O4","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1;Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O","InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1","","2020-03-06","2024-09-27","[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2021-03-31"],["AD5","N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine","C21 H27 N7 O","n2c1ncnc1c(nc2Nc4ccc(N3CCOCC3)cc4)NC5CCCCC5;C1CCC(CC1)Nc2nc(Nc3ccc(cc3)N4CCOCC4)nc5[nH]cnc25;c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5","InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)","Reversine","2007-11-15","2022-10-26","N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine",""],["AD6","4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide","C11 H10 Br N3 O S","O=C(NC)c2ccc(Nc1ncc(Br)s1)cc2;CNC(=O)c1ccc(Nc2sc(Br)cn2)cc1;CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br","InChI=1S/C11H10BrN3OS/c1-13-10(16)7-2-4-8(5-3-7)15-11-14-6-9(12)17-11/h2-6H,1H3,(H,13,16)(H,14,15)","","2007-11-15","2011-06-04","4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide",""],["OGR","7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","C21 H25 N7 O2","CNC(=O)c1ccc(nc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1;CNC(=O)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)C(=O)N(C)C)nc1;CNC(=O)c1ccc(nc1)Nc2ncc3cc(n(c3n2)C4CCCC4)C(=O)N(C)C","InChI=1S/C21H25N7O2/c1-22-19(29)13-8-9-17(23-11-13)25-21-24-12-14-10-16(20(30)27(2)3)28(18(14)26-21)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,29)(H,23,24,25,26)","","2022-04-29","2025-01-10","7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide","2025-01-15"],["OGS","4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside","C20 H32 O9 S","C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS(=O)(O)=O)O;CCCCCCCCc1ccc(O[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]2O)cc1;CCCCCCCCc1ccc(cc1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O)O","InChI=1S/C20H32O9S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)28-20-19(23)18(22)17(21)16(29-20)13-27-30(24,25)26/h9-12,16-23H,2-8,13H2,1H3,(H,24,25,26)/t16-,17-,18+,19-,20+/m1/s1","","2018-08-07","2020-08-21","4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside","2020-08-26"],["AD7","octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside","C20 H39 N O8","O(CCCCCCCC)C2OC(C(O)C(N)C2OC1OC(C)C(O)C(O)C1)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O[CH]2C[CH](O)[CH](O)[CH](C)O2;CCCCCCCCOC1C(C(C(C(O1)CO)O)N)OC2CC(C(C(O2)C)O)O","InChI=1S/C20H39NO8/c1-3-4-5-6-7-8-9-26-20-19(16(21)18(25)14(11-22)28-20)29-15-10-13(23)17(24)12(2)27-15/h12-20,22-25H,3-11,21H2,1-2H3/t12-,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1","2-deoxy-Fuc-3-amino-Gal-H-antigen disaccharide; amino-deoxy-acceptor","2008-01-04","2020-06-17","octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside",""],["AD8","1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone","C15 H20 N2 O","O=C(C13CC2CC(CC(C1)C2)C3)Cn4ccnc4;O=C(Cn1ccnc1)C23CC4CC(CC(C4)C2)C3;c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3","InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15-","2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone","2008-05-12","2021-03-13","2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone",""],["OGT","2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL","C8 H16 O6","CCOC1OC(CO)C(O)C(O)C1O;CCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3","","1999-07-13","2022-03-04","(2S,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol","2022-03-09"],["AD9","ADP METAVANADATE","C10 H16 N5 O13 P2 V","O=[V](O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)O)O)O)N","InChI=1S/C10H15N5O10P2.2H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);2*1H2;;/q;;;;+3/p-3/t4-,6-,7-,10-;;;;/m1..../s1","","2008-03-25","2011-06-04","(adenosinato)(dihydroxy)oxovanadium",""],["OGU","2,3-diOH-butyric acid","C4 H8 O4","C[CH](O)[CH](O)C(O)=O;CC(C(C(=O)O)O)O","InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1","(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid; (2R,3S)-2,3-dihydroxybutyric acid","2022-09-07","2024-09-27","(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid","2023-08-16"],["ADA","alpha-D-galactopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1","alpha-D-galacturonic acid; D-galacturonic acid; galacturonic acid; ALPHA D-GALACTURONIC ACID","2002-04-08","2020-07-17","alpha-D-galactopyranuronic acid",""],["OGV","2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide","C14 H11 Cl N4 O","Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21;Clc1cccc(CC(=O)Nc2nnc3ccccn23)c1;c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)","","2023-08-17","2023-11-03","2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide","2023-11-08"],["ADB","4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE","C16 H10 Cl2 N6 O","N#Cc1ccc(cc1)Nc3nc(nc(Oc2c(Cl)cccc2Cl)n3)N;Nc1nc(Nc2ccc(cc2)C#N)nc(Oc3c(Cl)cccc3Cl)n1;c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl","InChI=1S/C16H10Cl2N6O/c17-11-2-1-3-12(18)13(11)25-16-23-14(20)22-15(24-16)21-10-6-4-9(8-19)5-7-10/h1-7H,(H3,20,21,22,23,24)","","2001-12-06","2011-06-04","4-{[4-amino-6-(2,6-dichlorophenoxy)-1,3,5-triazin-2-yl]amino}benzonitrile",""],["OGX","2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine","C12 H19 N6 O7 P S","O=P(O)(OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O)NCCS;NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)NCCS)O3)C(=O)N1;C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(NCCS)O)O","InChI=1S/C12H19N6O7PS/c13-11-16-9-8(10(20)17-11)15-12(21)18(9)7-3-5(19)6(25-7)4-24-26(22,23)14-1-2-27/h5-7,19,27H,1-4H2,(H,15,21)(H2,14,22,23)(H3,13,16,17,20)/t5-,6+,7+/m0/s1","","2009-09-10","2024-09-27","2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine",""],["OGY","[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol","C13 H16 N2 O","c1(ccccc1)CCCc2ncc(CO)n2;OCc1c[nH]c(CCCc2ccccc2)n1;c1ccc(cc1)CCCc2[nH]cc(n2)CO","InChI=1S/C13H16N2O/c16-10-12-9-14-13(15-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2,(H,14,15)","","2019-06-24","2019-12-06","[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol","2019-12-11"],["ADC","(1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE","C10 H11 N5 O2","n1c(c2ncn(c2nc1)C3C=CC(O)C3O)N;Nc1ncnc2n(cnc12)[CH]3C=C[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C=CC(C3O)O)N","InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1","","1999-07-08","2011-06-04","(1S,2S,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol",""],["OGZ","[3-(trifluoromethyl)phenyl]methanamine","C8 H8 F3 N","NCc1cccc(c1)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)CN","InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2","","2020-03-09","2024-09-27","[3-(trifluoromethyl)phenyl]methanamine","2021-03-31"],["ADD","2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-METHOXYNONANOIC ACID","C20 H33 N O3","O=C(O)C(C)C(N)CCC(C)CC(C(OC)Cc1ccccc1)C;CO[CH](Cc1ccccc1)[CH](C)C[CH](C)CC[CH](N)[CH](C)C(O)=O;CC(CCC(C(C)C(=O)O)N)CC(C)C(Cc1ccccc1)OC","InChI=1S/C20H33NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13,21H2,1-4H3,(H,22,23)/t14-,15+,16+,18+,19+/m1/s1","","1999-07-08","2011-06-04","(2S,3S,6R,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldecanoic acid",""],["ADE","ADENINE","C5 H5 N5","n1c(c2ncnc2nc1)N;Nc1ncnc2[nH]cnc12;c1[nH]c2c(n1)c(ncn2)N","InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)","","1999-07-08","2011-06-04","9H-purin-6-amine",""],["OH","HYDROXIDE ION","H O","[OH-];[OH-];[OH-]","InChI=1S/H2O/h1H2/p-1","","1999-07-08","2024-09-27","hydroxide",""],["OH0","N-heptanoyl-N-hydroxy-beta-alanine","C10 H19 N O4","O=C(O)CCN(O)C(=O)CCCCCC;CCCCCCC(=O)N(O)CCC(O)=O;CCCCCCC(=O)N(CCC(=O)O)O","InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)","","2022-05-02","2024-09-27","N-heptanoyl-N-hydroxy-beta-alanine","2023-02-22"],["ADF","4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID","C22 H33 N3 O4","O=C(O)c3ccc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(c3)C(C)(C)C;CC(C)(C)c1cc(ccc1OC[CH]2CC[CH](N2)C(=O)N3CCC[CH]3CN)C(O)=O;CC(C)(C)c1cc(ccc1OCC2CCC(N2)C(=O)N3CCCC3CN)C(=O)O","InChI=1S/C22H33N3O4/c1-22(2,3)17-11-14(21(27)28)6-9-19(17)29-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23/h6,9,11,15-16,18,24H,4-5,7-8,10,12-13,23H2,1-3H3,(H,27,28)/t15-,16+,18+/m1/s1","","2006-03-08","2024-09-27","4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid",""],["ADG","O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSE","C6 H14 N O5","OC1C([NH3+])C(O)C(OC1O)CO;[NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;C(C1C(C(C(C(O1)O)O)[NH3+])O)O","InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1/fC6H14NO5/h7H/q+1","","1999-07-08","2008-10-14","3-ammonio-3-deoxy-alpha-D-glucopyranose",""],["OH1","N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide","C15 H19 N3 O2","C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2;OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1;c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO","InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18)","","2019-06-24","2019-12-06","N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide","2019-12-11"],["OH4","{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol","C14 H18 N2 O2","n2c(CCC(c1ccccc1)OC)nc(c2)CO;CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2;COC(CCc1[nH]cc(n1)CO)c2ccccc2","InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1","","2019-06-24","2019-12-06","{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol","2019-12-11"],["ADH","1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE","C7 H13 N O3","OC1CC(=CC(N)C1O)CO;N[CH]1C=C(CO)C[CH](O)[CH]1O;C1C(C(C(C=C1CO)N)O)O","InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6-,7-/m0/s1","","2001-11-30","2011-06-04","(1S,2S,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol",""],["ADI","2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE","C10 H15 N5 O8 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3;Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)O)N","InChI=1S/C10H15N5O8P2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(22-7)3-21-25(19,20)23-24(16,17)18/h4-7H,1-3H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1","","2001-09-26","2011-06-04","[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate",""],["OH5","(2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid","C12 H17 N O2","C[CH](C[CH](N)Cc1ccccc1)C(O)=O;CC(CC(Cc1ccccc1)N)C(=O)O","InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1","","2020-03-10","2021-03-26","(2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid","2021-03-31"],["OH6","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hexadec-9-enethioate","C37 H64 N7 O17 P3 S","CCCCCCC=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O;CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31+,32+,36-/m1/s1","Palmitoleoyl-CoA","2022-05-02","2022-07-15","S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-hexadec-9-enethioate (non-preferred name)","2022-07-20"],["ADJ","NICOTINAMIDE-ADENINE-DINUCLEOTIDE-ADENYLATE INTERMEDIATE","C31 H44 N11 O21 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH](O)C4=CCCN(C4)[CH]5O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(C4=CCCN(C4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N","InChI=1S/C31H44N11O21P3/c32-24-16-26(36-8-34-24)41(10-38-16)29-22(47)19(44)14(60-29)5-56-64(50,51)62-31(49)12-2-1-3-40(4-12)28-21(46)18(43)13(59-28)6-57-65(52,53)63-66(54,55)58-7-15-20(45)23(48)30(61-15)42-11-39-17-25(33)35-9-37-27(17)42/h2,8-11,13-15,18-23,28-31,43-49H,1,3-7H2,(H,50,51)(H,52,53)(H,54,55)(H2,32,34,36)(H2,33,35,37)/t13-,14-,15-,18-,19-,20-,21-,22-,23-,28-,29-,30-,31?/m1/s1","NADP-A","2002-01-28","2020-06-17","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[3-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-methyl]-5,6-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["ADK","3-METHYL-3H-PURIN-6-YLAMINE","C6 H7 N5","N=1C2=C(N=CN(C2=NC=1)C)N;Cn1cnc(N)c2ncnc12;Cn1cnc(c-2ncnc12)N","InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3","3-METHYLADENINE","2003-05-06","2021-03-01","3-methyl-3H-purin-6-amine",""],["OH7","N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide","C10 H17 N3 O2","C(NC(C)=O)CCCc1ncc(CO)n1;CC(=O)NCCCCc1[nH]cc(CO)n1;CC(=O)NCCCCc1[nH]cc(n1)CO","InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)","","2019-06-24","2019-12-06","N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide","2019-12-11"],["OH8","~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide","C25 H33 N5 O3","COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cncc(OC(C)C)c4;CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC","InChI=1S/C25H33N5O3/c1-17(2)33-21-12-20(15-26-16-21)19-4-5-23-22(13-19)24(29-28-23)25(31)27-14-18-6-8-30(9-7-18)10-11-32-3/h4-5,12-13,15-18H,6-11,14H2,1-3H3,(H,27,31)(H,28,29)","","2020-03-10","2020-05-15","~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide","2020-05-20"],["ADL","(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID","C16 H12 O5","O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3;OC(=O)Cc1ccc2Cc3cccc(O)c3C(=O)c2c1O;c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2","InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19)","ACETYL DITHRANOL","2002-12-12","2021-03-01","(1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid",""],["ADM","ADAMANTANE","C10 H16","C1C2CC3CC1CC(C2)C3;C1C2CC3CC1CC(C2)C3;C1C2CC3CC1CC(C2)C3","InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+","","1999-07-08","2024-09-27","tricyclo[3.3.1.1~3,7~]decane",""],["OH9","beta-methyl-adenosine diphosphate","C11 H17 N5 O10 P2","CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H17N5O10P2/c1-23-27(19,20)26-28(21,22)24-2-5-7(17)8(18)11(25-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate; beta-methyl-ADP","2022-09-07","2024-03-15","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate","2024-03-20"],["OHA","10-oxohexadecanoic acid","C16 H30 O3","O=C(CCCCCC)CCCCCCCCC(=O)O;CCCCCCC(=O)CCCCCCCCC(O)=O;CCCCCCC(=O)CCCCCCCCC(=O)O","InChI=1S/C16H30O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)","","2007-07-10","2011-06-04","10-oxohexadecanoic acid",""],["ADN","ADENOSINE","C10 H13 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","adenosine",""],["ADO","ADAMANTANONE","C10 H14 O","O=C1C2CC3CC1CC(C2)C3;O=C1C2CC3CC(C2)CC1C3;C1C2CC3CC1CC(C2)C3=O","InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+","","1999-07-08","2011-06-04","(1r,3r,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-2-one",""],["OHB","salicylamide","C7 H7 N O2","O=C(c1ccccc1O)N;NC(=O)c1ccccc1O;c1ccc(c(c1)C(=O)N)O","InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)","2-hydroxybenzamide","2013-04-10","2020-06-17","2-hydroxybenzamide","2013-10-09"],["ADP","ADENOSINE-5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2025-10-10","adenosine 5'-(trihydrogen diphosphate)",""],["OHC","2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide","C17 H18 Cl N3 O2","O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1;CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1;Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C","InChI=1S/C17H18ClN3O2/c1-11-3-4-19-10-16(11)21-17(23)8-13-5-14(7-15(18)6-13)9-20-12(2)22/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,21,23)","","2023-08-17","2023-11-03","2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["ADQ","ADENOSINE-5'-DIPHOSPHATE-GLUCOSE","C16 H25 N5 O15 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N","InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1","ADENOSINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER","2000-04-06","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["OHD","{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C14 H14 Cl N3 O4","NC(C)C1=N/C(C(N1CC(O)=O)=O)=Cc2ccc(c(c2)Cl)O;C[CH](N)C1=NC(=Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O;CC(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O)O)N","InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1","PEPTIDE DERIVED CHROMOPHORE","2019-06-25","2024-09-27","{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2019-08-07"],["OHE","HYDROXYETHYL GROUP","C2 H6 O","OCC;CCO;CCO","InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3","","1999-07-08","2008-10-14","ethanol",""],["ADR","2,6-DIAMINO-2,3,6-TRIDEOXY-ALPHA-D-RIBO-HEXOPYRANOSYL","C6 H14 N2 O2","OC1C(OCC(N)C1)CN;NC[CH]1OC[CH](N)C[CH]1O;C1C(COC(C1O)CN)N","InChI=1S/C6H14N2O2/c7-2-6-5(9)1-4(8)3-10-6/h4-6,9H,1-3,7-8H2/t4-,5+,6-/m1/s1","","1999-07-08","2011-06-04","2,6-diamino-1,5-anhydro-2,3,6-trideoxy-D-ribo-hexitol",""],["OHF","2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde","C20 H22 N2 O6","O=C(N1CCOCC1COc1cccc(O)c1C=O)c1cccnc1CCO;OCCc1ncccc1C(=O)N2CCOC[CH]2COc3cccc(O)c3C=O;c1cc(c(c(c1)OCC2COCCN2C(=O)c3cccnc3CCO)C=O)O","InChI=1S/C20H22N2O6/c23-9-6-17-15(3-2-7-21-17)20(26)22-8-10-27-12-14(22)13-28-19-5-1-4-18(25)16(19)11-24/h1-5,7,11,14,23,25H,6,8-10,12-13H2/t14-/m0/s1","","2022-05-02","2023-03-31","2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde","2023-04-05"],["ADS","ADENOSINE-5'-(DITHIO)PHOSPHATE","C10 H14 N5 O5 P S2","O=P(S)(S)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](S)(S)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(S)S)O)O)N","InChI=1S/C10H14N5O5PS2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(20-10)1-19-21(18,22)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,22,23)/t4-,6-,7?,10-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(dithiophosphono)]adenosine",""],["ADT","3'-DEOXY-3'-ACETAMIDO-THYMIDINE","C12 H17 N3 O5","O=C1NC(=O)N(C=C1C)C2OC(C(NC(=O)C)C2)CO;CC(=O)N[CH]1C[CH](O[CH]1CO)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=O)C","InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1","((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL)","1999-07-08","2024-09-27","3'-(acetylamino)-3'-deoxythymidine",""],["OHG","(2-methyl-1H-imidazol-4-yl)methanol","C5 H8 N2 O","Cc1nc(cn1)CO;Cc1[nH]cc(CO)n1;Cc1[nH]cc(n1)CO","InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)","","2019-06-25","2019-12-06","(2-methyl-1H-imidazol-4-yl)methanol","2019-12-11"],["OHH","2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID","C40 H35 N2 O6 P","O=C(c2cc1ccccc1cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5c4ccccc4ccc5)P(=O)(O)O)C)CC7;CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[CH](c6cccc7ccccc67)[P](O)(O)=O;CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)C(c6cccc7c6cccc7)P(=O)(O)O","InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1","","2004-05-06","2011-06-04","[(1R)-2-(3-{methyl[1-(naphthalen-2-ylcarbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid",""],["ADU","3'-DEOXY-3'-ACETAMIDO-URIDINE","C11 H15 N3 O6","O=C1NC(=O)N(C=C1)C2OC(C(NC(=O)C)C2O)CO;CC(=O)N[CH]1[CH](O)[CH](O[CH]1CO)N2C=CC(=O)NC2=O;CC(=O)NC1C(OC(C1O)N2C=CC(=O)NC2=O)CO","InChI=1S/C11H15N3O6/c1-5(16)12-8-6(4-15)20-10(9(8)18)14-3-2-7(17)13-11(14)19/h2-3,6,8-10,15,18H,4H2,1H3,(H,12,16)(H,13,17,19)/t6-,8-,9?,10-/m1/s1","((((3'-DEOXY-3'-URIDINYL)-AMINO)CARBONYL)METHYL)","1999-07-08","2021-03-01","3'-(acetylamino)-3'-deoxyuridine",""],["OHI","3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE","C6 H7 N3 O3","O=C1N=C(C=N1)CC(N)C(=O)O;N[CH](CC1=NC(=O)N=C1)C(O)=O;C1=NC(=O)N=C1CC(C(=O)O)N","InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1","","2007-07-10","2024-09-27","3-(2-oxo-2H-imidazol-4-yl)-L-alanine",""],["ADV","ALPHA-BETA METHYLENE ADP-RIBOSE","C16 H25 N5 O13 P2","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC4OC(O)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)O)N","InChI=1S/C16H25N5O13P2/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(33-15)1-31-35(27,28)5-36(29,30)32-2-7-10(23)12(25)16(26)34-7/h3-4,6-7,9-12,15-16,22-26H,1-2,5H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1","AMPCPR; {[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID\nMONO-(3,4,5-TRIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL) ESTER","2001-12-07","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name)",""],["ADW","ADENOSINE-5'-DITUNGSTATE","C10 H15 N5 O10 W2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[W](O)(=O)O[W](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[W](=O)(O)O[W](=O)(O)O)O)O)N","InChI=1S/C10H12N5O4.3H2O.3O.2W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);3*1H2;;;;;/q-1;;;;;;;2*+2/p-3/t4-,6-,7-,10-;;;;;;;;/m1......../s1","","1999-07-08","2011-06-04","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-oxo-tungstenio]oxy-dihydroxy-oxo-tungsten",""],["OHJ","(2-butyl-1H-imidazol-4-yl)methanol","C8 H14 N2 O","C(c1cnc(CCCC)n1)O;CCCCc1[nH]cc(CO)n1;CCCCc1[nH]cc(n1)CO","InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)","","2019-06-25","2019-12-06","(2-butyl-1H-imidazol-4-yl)methanol","2019-12-11"],["OHK","~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide","C22 H26 N4 O3","CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4;CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4","InChI=1S/C22H26N4O3/c1-15(2)29-20-9-18(11-23-13-20)17-3-4-19-12-24-21(26(19)14-17)22(27)25-10-16-5-7-28-8-6-16/h3-4,9,11-16H,5-8,10H2,1-2H3,(H,25,27)","","2020-03-11","2020-05-15","~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide","2020-05-20"],["ADX","ADENOSINE-5'-PHOSPHOSULFATE","C10 H14 N5 O10 P S","O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[S](O)(=O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N","InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1","","2000-11-27","2011-06-04","5'-O-[(S)-hydroxy(sulfooxy)phosphoryl]adenosine",""],["OHL","N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide","C15 H17 N3 O5 S","O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2;COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2;COc1ccc(cc1)S(=O)(=O)N(Cc2ccncc2)CC(=O)NO","InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19)","N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide","2010-08-20","2021-03-01","N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide",""],["ADY","3'-OXO-ADENOSINE","C10 H11 N5 O4","O=C3C(OC(n2cnc1c(ncnc12)N)C3O)CO;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C(=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(=O)C(O3)CO)O)N","InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,7,10,16,18H,1H2,(H2,11,12,13)/t4-,7-,10-/m1/s1","","2002-02-13","2011-06-04","9-beta-D-erythro-pentofuranosyl-3-ulose-9H-purin-6-amine",""],["ADZ","9-METHYL-9H-PURIN-6-AMINE","C6 H7 N5","n1c(c2ncn(c2nc1)C)N;Cn1cnc2c(N)ncnc12;Cn1cnc2c1ncnc2N","InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)","","2002-12-19","2011-06-04","9-methyl-9H-purin-6-amine",""],["OHM","3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE","C16 H28 N2 O3","O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC;CCCCCCCCCC(=O)CC(=O)N[CH]1CCNC1=O;CCCCCCCCCC(=O)CC(=O)NC1CCNC1=O","InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1","","2006-11-10","2011-06-04","3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide",""],["AE0","ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate","C30 H34 N4 O5","C(CC=1C(N(C(CCCC)=NC=1C(C)C)Cc2ccc(cc2)c3ccccc3C4=NOC(N4)=O)=O)(=O)OCC;CCCCC1=NC(=C(CC(=O)OCC)C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)C(C)C;CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C","InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37)","","2018-10-30","2019-09-06","ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate","2019-09-11"],["OHN","N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE","C16 H27 N O4","O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC;CCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O;CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O","InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1","","2007-03-08","2011-06-04","3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide",""],["OHO","CYCLOHEXANE AMINOCARBOXYLIC ACID","C7 H13 N O2","O=C(O)NC1CCCCC1;OC(=O)NC1CCCCC1;C1CCC(CC1)NC(=O)O","InChI=1S/C7H13NO2/c9-7(10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,9,10)","","1999-07-08","2024-09-27","cyclohexylcarbamic acid",""],["AE1","2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](DIHYDROXY)PHOSPHORANYL]METHYL}-4-METHYLPENTANOIC ACID","C10 H20 N O6 P","O=P(O)(CC(C(=O)O)CC(C)C)C(N)CC(=O)O;CC(C)C[CH](C[P](O)(=O)[CH](N)CC(O)=O)C(O)=O;CC(C)CC(CP(=O)(C(CC(=O)O)N)O)C(=O)O","InChI=1S/C10H20NO6P/c1-6(2)3-7(10(14)15)5-18(16,17)8(11)4-9(12)13/h6-8H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t7-,8-/m1/s1","","2003-06-19","2011-06-04","(2S)-2-{[(S)-[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid",""],["OHP","(2-HYDROXYPHENYL)ACETIC ACID","C8 H8 O3","O=C(O)Cc1ccccc1O;OC(=O)Cc1ccccc1O;c1ccc(c(c1)CC(=O)O)O","InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)","","2006-10-10","2011-06-04","(2-hydroxyphenyl)acetic acid",""],["AE2","AETIOCHOLANOLONE","C19 H30 O2","O=C3CCC4C2C(C1(CCC(O)CC1CC2)C)CCC34C;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O;CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O","InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1","","1999-07-08","2011-06-04","(3alpha,5beta,8alpha)-3-hydroxyandrostan-17-one",""],["OHR","2'-deoxyadenosine 5'-diphosphoribose","C15 H23 N5 O13 P2","Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)N","InChI=1S/C15H23N5O13P2/c16-13-10-14(18-4-17-13)20(5-19-10)9-1-6(21)7(31-9)2-29-34(25,26)33-35(27,28)30-3-8-11(22)12(23)15(24)32-8/h4-9,11-12,15,21-24H,1-3H2,(H,25,26)(H,27,28)(H2,16,17,18)/t6-,7+,8+,9+,11+,12+,15-/m0/s1","[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 2'-deoxy-ADPR","2022-09-07","2024-03-15","[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2024-03-20"],["AE3","2-(2-ETHOXYETHOXY)ETHANOL","C6 H14 O3","OCCOCCOCC;CCOCCOCCO;CCOCCOCCO","InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3","","2005-09-29","2011-06-04","2-(2-ethoxyethoxy)ethanol",""],["AE4","3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL","C12 H26 O6","O(CCO)CCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCO","InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3","","2005-09-29","2011-06-04","3,6,9,12,15-pentaoxaheptadecan-1-ol",""],["OHS","O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE","C5 H7 N O6 S","O=C(O)SOC(=O)CC(N)C(=O)O;N[CH](CC(=O)OSC(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)OSC(=O)O","InChI=1S/C5H7NO6S/c6-2(4(8)9)1-3(7)12-13-5(10)11/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1","","2005-02-02","2024-09-27","O-(carboxysulfanyl)-4-oxo-D-homoserine",""],["AE5","N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid","C8 H14 N2 O6","O=C(O)C(N)CNC(C(=O)O)CCC(=O)O;N[CH](CN[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NCC(C(=O)O)N","InChI=1S/C8H14N2O6/c9-4(7(13)14)3-10-5(8(15)16)1-2-6(11)12/h4-5,10H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1","","2013-08-23","2014-07-03","N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid","2014-07-08"],["OHT","4-HYDROXYTAMOXIFEN","C26 H29 N O2","O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CC)CCN(C)C;CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCN(C)C)c3ccccc3","InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-","","1999-07-08","2011-06-04","4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol",""],["AE6","6-{(1E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1H)-one","C23 H19 N3 O3","O=C2C=Cc1cc(cnc1N2)C=CC(=O)N5CC(c4oc3ccccc3c4C)C5;Cc1c(oc2ccccc12)[CH]3CN(C3)C(=O)C=Cc4cnc5NC(=O)C=Cc5c4;Cc1c2ccccc2oc1C3CN(C3)C(=O)C=Cc4cc5c(nc4)NC(=O)C=C5","InChI=1S/C23H19N3O3/c1-14-18-4-2-3-5-19(18)29-22(14)17-12-26(13-17)21(28)9-6-15-10-16-7-8-20(27)25-23(16)24-11-15/h2-11,17H,12-13H2,1H3,(H,24,25,27)/b9-6+","","2013-04-16","2014-03-28","6-{(1E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1H)-one","2014-04-02"],["OHU","2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)","C9 H13 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(O)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O","InChI=1S/C9H13N2O9P/c12-4-1-7(20-6(4)3-19-21(16,17)18)11-2-5(13)8(14)10-9(11)15/h2,4,6-7,12-13H,1,3H2,(H,10,14,15)(H2,16,17,18)/t4-,6+,7+/m0/s1","","2011-11-22","2011-12-09","2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)",""],["AE7","(3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one","C19 H15 N3 O3 S","n2c1ccccc1sc2n3c(O)c(c(n3)C)C4OC(=O)c5c4cccc5;Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)C4=[SH]c5ccccc5N4;Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)C4c5ccccc5C(=O)O4","InChI=1S/C19H15N3O3S/c1-10-15(16-11-6-2-3-7-12(11)18(24)25-16)17(23)22(21-10)19-20-13-8-4-5-9-14(13)26-19/h2-9,16,20,23,26H,1H3/t16-/m1/s1","","2017-07-13","2017-10-06","(3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one","2017-10-11"],["OHV","benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate","C16 H21 N3 O3","C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2;OCc1[nH]c(CCCCNC(=O)OCc2ccccc2)nc1;c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO","InChI=1S/C16H21N3O3/c20-11-14-10-18-15(19-14)8-4-5-9-17-16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,10,20H,4-5,8-9,11-12H2,(H,17,21)(H,18,19)","","2019-06-25","2019-12-06","benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate","2019-12-11"],["OHW","4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine","C23 H32 F3 N3 O2","CCCc1c([nH]c2cc(OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4;CCCc1c2ccc(cc2[nH]c1C3CCCCN3CCN4CCOCC4)OC(F)(F)F","InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3/t21-/m1/s1","CAD204520","2020-03-12","2020-06-17","4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine","2020-05-20"],["AE8","(S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one","C24 H26 F N5 O4","Fc1c3c2c(nc1)C=CC(=O)N2CC3(O)CN6CCC(NCc5ncc4OCCOc4c5)CC6;O[C]1(CN2CC[CH](CC2)NCc3cc4OCCOc4cn3)CN5C(=O)C=Cc6ncc(F)c1c56;c1c(ncc2c1OCCO2)CNC3CCN(CC3)CC4(CN5c6c4c(cnc6C=CC5=O)F)O","InChI=1S/C24H26FN5O4/c25-17-11-28-18-1-2-21(31)30-14-24(32,22(17)23(18)30)13-29-5-3-15(4-6-29)26-10-16-9-19-20(12-27-16)34-8-7-33-19/h1-2,9,11-12,15,26,32H,3-8,10,13-14H2/t24-/m0/s1","","2013-06-20","2014-09-05","(4S)-4-({4-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one","2013-08-07"],["AE9","2-AZIDOETHANOL","C2 H5 N3 O","[N-]=[N+]=NCCO;OCCN=[N+]=[N-];C(CO)N=[N+]=[N-]","InChI=1S/C2H5N3O/c3-5-4-1-2-6/h6H,1-2H2","","2010-09-10","2011-10-14","2-azidoethanol",""],["OHX","osmium (III) hexammine","H12 N6 Os","N[Os](N)(N)(N)(N)N;N[Os](N)(N)(N)(N)N;N[Os](N)(N)(N)(N)N","InChI=1S/6H2N.Os/h6*1H2;/q6*-1;+6","osmium(6+) hexaazanide","2010-11-30","2021-03-01","osmium(6+) hexaazanide",""],["OHY","6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one","C30 H30 Cl F N4 O3","CC(C)c1c(cccc1)N3c2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c5c(F)cccc5O;CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3ccccc3C(C)C)c4cc(c(Cl)cc24)c5c(O)cccc5F;CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C","InChI=1S/C30H30ClFN4O3/c1-4-27(38)34-12-14-35(15-13-34)29-21-16-22(31)20(28-23(32)9-7-11-26(28)37)17-25(21)36(30(39)33-29)24-10-6-5-8-19(24)18(2)3/h5-11,16-18,37H,4,12-15H2,1-3H3","","2019-06-25","2024-09-27","6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one","2019-12-25"],["AEA","(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID","C5 H10 N2 O3 S","NC(CSCC(=O)O)C(N)=O;N[CH](CSCC(O)=O)C(N)=O;C(C(C(=O)N)N)SCC(=O)O","InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1","","1999-08-25","2024-09-27","{[(2S)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid",""],["OHZ","1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea","C16 H14 Cl F3 N2 O3","OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2;c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F","InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24)","1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea","2020-03-13","2020-10-09","1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea","2020-10-14"],["AED","4-(2-aminoethyl)-2-cyclohexylphenol","C14 H21 N O","Oc1ccc(cc1C2CCCCC2)CCN;NCCc1ccc(O)c(c1)C2CCCCC2;c1cc(c(cc1CCN)C2CCCCC2)O","InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2","","2008-01-07","2011-06-04","4-(2-aminoethyl)-2-cyclohexylphenol",""],["AEE","6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE","C27 H32 N6","n2c(NC(c1ccccc1)C)c3cc(nc3nc2)c4ccc(cc4)CN5CCN(CC)CC5;CCN1CCN(CC1)Cc2ccc(cc2)c3[nH]c4ncnc(N[CH](C)c5ccccc5)c4c3;CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4NC(C)c5ccccc5","InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1","","2006-05-25","2011-06-04","6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["OI1","3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE","C32 H35 N3 O5","O=C(NCCc1ccc(O)cc1)C([N+]2=C([O-])C5N(C(=O)C2Cc3ccc(O)cc3)Cc4c(cccc4)C5)CCC;CCC[CH](C(=O)NCCc1ccc(O)cc1)[N+]2=C([O-])[CH]3Cc4ccccc4CN3C(=O)[CH]2Cc5ccc(O)cc5;CCCC(C(=O)NCCc1ccc(cc1)O)[N+]2=C(C3Cc4ccccc4CN3C(=O)C2Cc5ccc(cc5)O)[O-]","InChI=1S/C32H35N3O5/c1-2-5-27(30(38)33-17-16-21-8-12-25(36)13-9-21)35-29(18-22-10-14-26(37)15-11-22)31(39)34-20-24-7-4-3-6-23(24)19-28(34)32(35)40/h3-4,6-15,27-29H,2,5,16-20H2,1H3,(H3,33,36,37,38)/t27-,28-,29-/m0/s1","","2003-09-09","2011-06-04","(3S,11aS)-3-(4-hydroxybenzyl)-2-[(1S)-1-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate",""],["OI2","(2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid","C25 H38 O2","CCC(C)C=1CCCC(=C/C(/C)=CC=CC(C)=CC(=O)O)C=1CCC(C)C;CC[CH](C)C1=C(CCC(C)C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O;CCC(C)C1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC(C)C","InChI=1S/C25H38O2/c1-7-21(6)23-13-9-12-22(24(23)15-14-18(2)3)16-19(4)10-8-11-20(5)17-25(26)27/h8,10-11,16-18,21H,7,9,12-15H2,1-6H3,(H,26,27)/b11-8+,19-10-,20-17+,22-16+/t21-/m0/s1","","2022-05-03","2023-03-10","(2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid","2023-03-15"],["AEF","4-(2-aminoethyl)phenol","C8 H11 N O","Oc1ccc(cc1)CCN;NCCc1ccc(O)cc1;c1cc(ccc1CCN)O","InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2","","2007-12-26","2011-06-04","4-(2-aminoethyl)phenol",""],["OI3","2'-deoxyadenosine 5'-fluoro-diphosphoribose","C15 H22 F N5 O13 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)F)N","InChI=1S/C15H22FN5O13P2/c16-7-9(22)5(32-14(7)21-4-20-8-12(17)18-3-19-13(8)21)1-30-35(26,27)34-36(28,29)31-2-6-10(23)11(24)15(25)33-6/h3-7,9-11,14-15,22-25H,1-2H2,(H,26,27)(H,28,29)(H2,17,18,19)/t5-,6-,7-,9-,10-,11-,14-,15-/m1/s1","[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 2'-deoxy-2'-fluoro-ADPR","2022-09-07","2024-03-15","[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2024-03-20"],["AEG","4-[(2R)-2-aminopropyl]phenol","C9 H13 N O","Oc1ccc(cc1)CC(N)C;C[CH](N)Cc1ccc(O)cc1;CC(Cc1ccc(cc1)O)N","InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1","","2008-01-07","2011-06-04","4-[(2R)-2-aminopropyl]phenol",""],["OI4","(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C16 H15 Cl N2 O2","Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21;Cc1ccncc1NC(=O)[CH]2CCOc3ccc(Cl)cc23;Cc1ccncc1NC(=O)C2CCOc3c2cc(cc3)Cl","InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1","","2023-08-17","2023-11-03","(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["AEH","4-(2-aminoethyl)-2-ethylphenol","C10 H15 N O","Oc1ccc(cc1CC)CCN;CCc1cc(CCN)ccc1O;CCc1cc(ccc1O)CCN","InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3","","2008-01-07","2011-06-04","4-(2-aminoethyl)-2-ethylphenol",""],["OI5","(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid","C24 H36 O2","CCCC=1CCCC(=C/C(/C)=CC=CC(C)=CC(=O)O)C=1CCC(C)C;CCCC1=C(CCC(C)C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O;CCCC1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC(C)C","InChI=1S/C24H36O2/c1-6-9-21-12-8-13-22(23(21)15-14-18(2)3)16-19(4)10-7-11-20(5)17-24(25)26/h7,10-11,16-18H,6,8-9,12-15H2,1-5H3,(H,25,26)/b11-7+,19-10-,20-17+,22-16+","","2022-05-03","2023-03-10","(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid","2023-03-15"],["AEI","THREONINE-ASPARTIC ESTER","C8 H14 N2 O6","NC(C(=O)O)C(C)OC(=O)CC(N)C(=O)O;C[CH](OC(=O)C[CH](N)C(O)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC(=O)CC(C(=O)O)N","InChI=1S/C8H14N2O6/c1-3(6(10)8(14)15)16-5(11)2-4(9)7(12)13/h3-4,6H,2,9-10H2,1H3,(H,12,13)(H,14,15)/t3-,4+,6+/m1/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-{[(1S,2R)-1-amino-1-carboxypropan-2-yl]oxy}-4-oxobutanoic acid (non-preferred name)",""],["OI6","8-bromoadenosine 5'-diphosphoribose","C15 H22 Br N5 O14 P2","Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N","InChI=1S/C15H22BrN5O14P2/c16-15-20-6-11(17)18-3-19-12(6)21(15)13-9(24)7(22)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(23)10(25)14(26)34-5/h3-5,7-10,13-14,22-26H,1-2H2,(H,27,28)(H,29,30)(H2,17,18,19)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 8Br-ADPR","2022-09-07","2024-03-15","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2024-03-20"],["AEJ","(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL","C29 H33 N3 O","Oc1cc3c(cc1)C(N(c2ccccc2)CC3)c6ccc(N4CC5N(CC4)CCCC5)cc6;Oc1ccc2[CH](N(CCc2c1)c3ccccc3)c4ccc(cc4)N5CCN6CCCC[CH]6C5;c1ccc(cc1)N2CCc3cc(ccc3C2c4ccc(cc4)N5CCN6CCCCC6C5)O","InChI=1S/C29H33N3O/c33-27-13-14-28-23(20-27)15-17-32(25-6-2-1-3-7-25)29(28)22-9-11-24(12-10-22)31-19-18-30-16-5-4-8-26(30)21-31/h1-3,6-7,9-14,20,26,29,33H,4-5,8,15-19,21H2/t26-,29+/m0/s1","1-[4-(OCTAHYDRO-PYRIDO[1,2-A]PYRAZIN-2-YL)-PHENYL]-2-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL","2004-10-14","2021-03-13","(1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol",""],["OI7","1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose","C7 H16 O13 P2","O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O;O[CH](CO[P](O)(O)=O)[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1","1,7-di-O-phosphono-beta-D-altro-hept-2-ulose; 1,7-di-O-phosphono-D-altro-hept-2-ulose;\n1,7-di-O-phosphono-altro-hept-2-ulose","2010-10-21","2020-07-17","1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose",""],["AEK","4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C18 H24 N6 O","O=C2c3cc1nc(NC)nc1c(c3N=CN2)CCNCC4CCCC4;CNc1[nH]c2c(CCNCC3CCCC3)c4N=CNC(=O)c4cc2n1;CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O","InChI=1S/C18H24N6O/c1-19-18-23-14-8-13-15(21-10-22-17(13)25)12(16(14)24-18)6-7-20-9-11-4-2-3-5-11/h8,10-11,20H,2-7,9H2,1H3,(H2,19,23,24)(H,21,22,25)","","2011-07-12","2012-06-22","4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["AEL","2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione","C27 H20 N4 O2","C2(N(C(=O)c1c3c(ccc1)cccc23)CCc5n(c4ccc(C)cc4n5)c6ccncc6)=O;Cc1ccc2n(c3ccncc3)c(CCN4C(=O)c5cccc6cccc(C4=O)c56)nc2c1;Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O","InChI=1S/C27H20N4O2/c1-17-8-9-23-22(16-17)29-24(31(23)19-10-13-28-14-11-19)12-15-30-26(32)20-6-2-4-18-5-3-7-21(25(18)20)27(30)33/h2-11,13-14,16H,12,15H2,1H3","","2018-10-31","2019-04-05","2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione","2019-04-10"],["OI9","Streptothricin F","C19 H34 N8 O8","NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O;NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O;C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O","InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1","","2022-05-03","2023-04-14","4-O-carbamoyl-2-deoxy-2-[(3S)-3,6-diaminohexanamido]-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine","2023-04-19"],["AEM","2-AMINOETHANIMIDIC ACID","C2 H6 N2","[N@H]=CCN;NCC=N;[H]N=CCN","InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2/b3-1+","","2001-09-25","2024-09-27","(2E)-2-iminoethanamine",""],["OIA","[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid","C10 H9 N O3","OC(=O)CC2c1ccccc1NC2=O;OC(=O)C[CH]1C(=O)Nc2ccccc12;c1ccc2c(c1)C(C(=O)N2)CC(=O)O","InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)/t7-/m0/s1","","2016-04-25","2017-02-24","[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid","2017-03-01"],["AEN","5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE","C14 H16 N2 O4 S","O=S(=O)(O)c1cccc2c1cccc2NCCNC(=O)C;CC(=O)NCCNc1cccc2c1cccc2[S](O)(=O)=O;CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O","InChI=1S/C14H16N2O4S/c1-10(17)15-8-9-16-13-6-2-5-12-11(13)4-3-7-14(12)21(18,19)20/h2-7,16H,8-9H2,1H3,(H,15,17)(H,18,19,20)","","1999-07-08","2024-09-27","5-{[2-(acetylamino)ethyl]amino}naphthalene-1-sulfonic acid",""],["OIB","hydroxylated gamma-amino valeroyl moiety","C6 H13 N O5","CO[CH](CN)[CH](O)[CH](O)C(O)=O;COC(CN)C(C(C(=O)O)O)O","InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1","(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid; (2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid","2022-09-08","2024-09-27","(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid","2023-08-16"],["OIC","OCTAHYDROINDOLE-2-CARBOXYLIC ACID","C9 H15 N O2","O=C(O)C1NC2CCCCC2C1;OC(=O)[CH]1C[CH]2CCCC[CH]2N1;C1CCC2C(C1)CC(N2)C(=O)O","InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1","","1999-07-08","2024-09-27","(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid",""],["AEO","2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione","C22 H16 N4 O2 S","c51c4c(ccc1)C(N(CCC=3N(c2ccccc2)C(=S)NN=3)C(c4ccc5)=O)=O;O=C1N(CCC2=NNC(=S)N2c3ccccc3)C(=O)c4cccc5cccc1c45;c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O","InChI=1S/C22H16N4O2S/c27-20-16-10-4-6-14-7-5-11-17(19(14)16)21(28)25(20)13-12-18-23-24-22(29)26(18)15-8-2-1-3-9-15/h1-11H,12-13H2,(H,24,29)","","2018-10-31","2019-04-05","2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione","2019-04-10"],["AEP","3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID","C7 H14 N O6 P","O=P(O)(CC(C(=O)O)C)C(N)CC(=O)O;C[CH](C[P](O)(=O)[CH](N)CC(O)=O)C(O)=O;CC(CP(=O)(C(CC(=O)O)N)O)C(=O)O","InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1","","2002-04-23","2011-06-04","(2S)-3-{[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl}-2-methylpropanoic acid",""],["OID","10-(1H-imidazol-1-yl)decanoic acid","C13 H22 N2 O2","O=C(O)CCCCCCCCCn1ccnc1;OC(=O)CCCCCCCCCn1ccnc1;c1cn(cn1)CCCCCCCCCC(=O)O","InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)","10-imidazolyl-decanoic acid","2009-03-27","2020-06-17","10-(1H-imidazol-1-yl)decanoic acid",""],["AEQ","methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate","C14 H17 N O3","CCC(=O)N1CCCc2cc(ccc12)C(=O)OC;CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC","InChI=1S/C14H17NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h6-7,9H,3-5,8H2,1-2H3","","2017-08-18","2024-09-27","methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate","2018-03-14"],["OIE","2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide","C16 H12 Cl N3 O","O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21;Clc1ccnc(CC(=O)Nc2cncc3ccccc23)c1;c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccn3)Cl","InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)","","2023-08-17","2023-11-03","2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["AER","Abiraterone","C24 H31 N O","OC4CC3=CCC5C2C(C(c1cccnc1)=CC2)(C)CCC5C3(C)CC4;C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5;CC12CCC(CC1=CCC3C2CCC4(C3CC=C4c5cccnc5)C)O","InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1","(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","2011-05-06","2021-03-13","(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",""],["OIF","2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid","C9 H8 N2 O4 S2","O=S(=O)(O)CC(=O)Nc1nc2ccccc2s1;O[S](=O)(=O)CC(=O)Nc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)NC(=O)CS(=O)(=O)O","InChI=1S/C9H8N2O4S2/c12-8(5-17(13,14)15)11-9-10-6-3-1-2-4-7(6)16-9/h1-4H,5H2,(H,10,11,12)(H,13,14,15)","","2022-05-03","2022-10-14","2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid","2022-10-19"],["OIG","beta-ethyl-adenosine diphosphate","C12 H19 N5 O10 P2","CCO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H19N5O10P2/c1-2-24-28(20,21)27-29(22,23)25-3-6-8(18)9(19)12(26-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H,22,23)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] ethyl hydrogen phosphate; beta-ethyl-ADP","2022-09-07","2024-03-15","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate","2024-03-20"],["AES","4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE","C8 H10 F N O2 S","O=S(F)(=O)c1ccc(cc1)CCN;NCCc1ccc(cc1)[S](F)(=O)=O;c1cc(ccc1CCN)S(=O)(=O)F","InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2","AEBSF","2005-09-27","2024-09-27","4-(2-aminoethyl)benzenesulfonyl fluoride",""],["AET","N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)METHYLCARBAMOYL]THREONINE-5'-MONOPHOSPHATE","C16 H23 N6 O11 P","O=C(O)C(NC(=O)N(c3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C)C(O)C;C[CH](O)[CH](NC(=O)N(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(O)=O;CC(C(C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)O","InChI=1S/C16H23N6O11P/c1-6(23)8(15(26)27)20-16(28)21(2)12-9-13(18-4-17-12)22(5-19-9)14-11(25)10(24)7(33-14)3-32-34(29,30)31/h4-8,10-11,14,23-25H,3H2,1-2H3,(H,20,28)(H,26,27)(H2,29,30,31)/t6-,7-,8+,10-,11-,14-/m1/s1","N-(NEBULARIN-6-YL-METHYLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE","1999-07-08","2021-03-01","(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)(methyl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)",""],["OIH","1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid","C28 H32 Cl F N4 O3","CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O;CC(C)CN(c1ccc(cc1NC(=O)Nc2ccc(cc2F)Cl)n3cccc3C(=O)O)C4CCCCC4","InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37)","","2023-02-02","2023-02-10","1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid","2023-02-15"],["AEU","N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine","C24 H19 N3 O","c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5;C(Nc1cc2c([nH]c3ccccc23)cn1)c4cccc(Oc5ccccc5)c4;c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3","InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26)","","2018-10-31","2021-06-18","N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine","2021-06-23"],["OIJ","5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one","C25 H22 F N5 O2","OC1CCN(CC1)c2nccc3n2nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5;c1cc(ccc1c2c(c3ccnc(n3n2)N4CCC(CC4)O)c5ccc6c(c5)CC(=O)N6)F","InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33)","","2022-09-08","2023-05-15","5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one","2023-04-19"],["OIK","(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone","C20 H19 N3 O","O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1;O=C(N1CCN(CC1)c2ccccc2)c3cncc4ccccc34;c1ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4","InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2","","2023-08-17","2023-11-03","(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone","2023-11-08"],["AEV","2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one","C19 H12 Cl2 N4 O3","c1c2c(ccc1)C(OC2=O)C3=C(C)NN(C3=O)c5nc4c(c(c(cc4)Cl)Cl)n5;CC1=C([CH]2OC(=O)c3ccccc23)C(=O)N(N1)c4[nH]c5ccc(Cl)c(Cl)c5n4;CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)C4c5ccccc5C(=O)O4","InChI=1S/C19H12Cl2N4O3/c1-8-13(16-9-4-2-3-5-10(9)18(27)28-16)17(26)25(24-8)19-22-12-7-6-11(20)14(21)15(12)23-19/h2-7,16,24H,1H3,(H,22,23)/t16-/m1/s1","","2017-07-13","2017-10-06","2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one","2017-10-11"],["OIL","(2S,3S)-2-hydroxy-3-methylpentanoic acid","C6 H12 O3","O=C(O)C(O)C(C)CC;CC[CH](C)[CH](O)C(O)=O;CCC(C)C(C(=O)O)O","InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1","","2011-01-13","2024-09-27","(2S,3S)-2-hydroxy-3-methylpentanoic acid",""],["AEW","1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one","C19 H26 N2 O","O=C1C=C(C=CN1Cc2c(c(N)ccc2)C)CCCCCC;CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1;CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N","InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3","","2011-07-13","2014-09-05","1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one",""],["OIM","[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C21 H26 N4 O6","O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC;CC[CH](C)[CH](N)[C]1(O)O[CH](C)C(=N1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O;CCC(C)C(C1(N=C(C(O1)C)C2=NC(=Cc3ccc(cc3)O)C(=O)N2CC(=O)O)O)N","InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1","PEPTIDE DERIVED CHROMOPHORE","2014-04-30","2024-09-27","[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","2014-07-08"],["AEX","N-butyl-9H-beta-carbolin-3-amine","C15 H17 N3","c1c3c(cc(n1)NCCCC)c2c(cccc2)n3;CCCCNc1cc2c([nH]c3ccccc23)cn1;CCCCNc1cc2c3ccccc3[nH]c2cn1","InChI=1S/C15H17N3/c1-2-3-8-16-15-9-12-11-6-4-5-7-13(11)18-14(12)10-17-15/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17)","","2018-10-31","2021-06-18","N-butyl-9H-beta-carbolin-3-amine","2021-06-23"],["AEY","7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine","C11 H10 N6 O","c1ccccc1COc2nc(N)nc3c2nnn3;Nc1nc(OCc2ccccc2)c3[nH]nnc3n1;c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3","InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)","","2017-07-13","2018-04-13","7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine","2018-04-18"],["OIN","(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE","C17 H23 N O3","O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO;CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3ccccc3;CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1","ATROPINE","2004-06-01","2021-03-01","(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate",""],["AEZ","(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol","C8 H12 N2 O4","OC[CH]1[CH](O)[CH](O)[CH](O)c2nc[nH]c12;c1[nH]c2c(n1)C(C(C(C2CO)O)O)O","InChI=1S/C8H12N2O4/c11-1-3-4-5(10-2-9-4)7(13)8(14)6(3)12/h2-3,6-8,11-14H,1H2,(H,9,10)/t3-,6+,7-,8-/m0/s1","","2017-08-18","2018-04-06","(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol","2018-04-11"],["OIO","8-(1H-imidazol-1-yl)octanoic acid","C11 H18 N2 O2","OC(=O)CCCCCCCn1ccnc1;c1cn(cn1)CCCCCCCC(=O)O","InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)","","2009-11-20","2011-06-04","8-imidazol-1-yloctanoic acid",""],["AF","2-AMINOFLUORENE","C13 H11 N","c1cccc3c1c2c(cc(N)cc2)C3;Nc1ccc2c(Cc3ccccc23)c1;c1ccc-2c(c1)Cc3c2ccc(c3)N","InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2","","1999-07-08","2011-06-04","9H-fluoren-2-amine",""],["OIP","2'-DEOXY-INOSINIC ACID","C10 H13 N4 O7 P","O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNC2=O","InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1/f/h12,17-18H","","1999-07-08","2009-01-07","2'-deoxy-5'-inosinic acid",""],["OIQ","[(1R,3R,4R,7S)-5-[(E)-N,N'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","C14 H22 N5 O8 P","CNC(=NC)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN3C(=NC)NC)COP(=O)(O)O)O","InChI=1S/C14H22N5O8P/c1-7-4-18(13(22)17-10(7)21)11-8-9(20)14(27-11,6-26-28(23,24)25)5-19(8)12(15-2)16-3/h4,8-9,11,20H,5-6H2,1-3H3,(H,15,16)(H,17,21,22)(H2,23,24,25)/t8-,9+,11-,14-/m1/s1","","2023-02-02","2023-08-04","[(1~{R},3~{R},4~{R},7~{S})-5-[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","2023-08-09"],["AF0","N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide","C20 H20 F4 N2 O3 S","c1(c(c(c(c(c1F)F)C)F)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O;CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3c(F)c(F)c(C)c(F)c3F)ccc12;CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F","InChI=1S/C20H20F4N2O3S/c1-3-8-26-15-6-5-13(9-12(15)4-7-16(26)27)25-30(28,29)10-14-19(23)17(21)11(2)18(22)20(14)24/h5-6,9,25H,3-4,7-8,10H2,1-2H3","AMF4","2017-05-15","2021-03-01","N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide","2017-11-15"],["AF1","4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose","C13 H23 N O8","OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O;CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO","InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1","4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucose;\n4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-D-glucose;\n4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-glucose","1999-07-08","2020-07-17","4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose",""],["OIR","N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE","C21 H24 N2 O4 S","O=C(O)C(NC(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C;C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](S)Cc2ccccc2)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)S","InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1","","2003-11-07","2011-06-04","N-[(2R)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-alanine",""],["OIS","(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3\n-((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE","C34 H46 N6 O6 S2","O=S(=O)(c1ccc(C=NO)cc1)N(CC(C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(sc3)C)C(C)C)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](C(C)C)N2CCN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(cc4)C=NO;Cc1nc(cs1)CN2CCN(C2=O)C(C(C)C)C(=O)NC(Cc3ccccc3)C(CN(CC(C)C)S(=O)(=O)c4ccc(cc4)C=NO)O","InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1","OXIMINOARYLSULFONAMIDE","2005-02-11","2020-06-17","(2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(2-methylpropyl)amino]propyl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide",""],["AF2","2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)","C10 H13 F N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)F)N","InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1","","2010-04-20","2011-06-04","2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)",""],["AF3","ALUMINUM FLUORIDE","Al F3","F[Al](F)F;F[Al](F)F;F[Al](F)F","InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3","","1999-07-08","2011-06-04","aluminum trifluoride",""],["OIT","~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide","C20 H21 Cl2 N3 O2","NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3;c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3)Cl)Cl","InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26)","Tafamidis derivative","2022-09-08","2023-07-07","~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide","2023-07-12"],["AF4","2,4-BIS{[4-(N-ISOPORPYL)DIAMINOMETHYL]PHENYL}FURAN","C24 H32 N4 O","o2c(cc(c1ccc(cc1)C(N)NC(C)C)c2)c3ccc(cc3)C(N)NC(C)C;CC(C)N[CH](N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)[CH](N)NC(C)C;CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N","InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-22(29-14-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24?/m0/s1","","2006-05-09","2011-06-04","(S,S)-(furan-2,4-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine]",""],["OIW","(2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol","C6 H10 O4","O[CH]1C=C[CH](O)[CH](O)[CH]1O;C1=CC(C(C(C1O)O)O)O","InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1","D-carbaxylosyl chloride","2022-09-08","2024-09-27","(1~{S},2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol","2024-03-13"],["OIX","N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide","C19 H18 N2 O3","COc1ccccc1OCCNC(=O)c1cncc2ccccc21;COc1ccccc1OCCNC(=O)c2cncc3ccccc23;COc1ccccc1OCCNC(=O)c2cncc3c2cccc3","InChI=1S/C19H18N2O3/c1-23-17-8-4-5-9-18(17)24-11-10-21-19(22)16-13-20-12-14-6-2-3-7-15(14)16/h2-9,12-13H,10-11H2,1H3,(H,21,22)","","2023-08-17","2023-11-03","N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide","2023-11-08"],["AF5","(7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid","C20 H20 F N3 O3","O=C(O)C3=CN(c2c1C=CCC4N(c1c(F)cc2C3=O)CCC4N)C5CC5;N[CH]1CCN2[CH]1CC=Cc3c2c(F)cc4C(=O)C(=CN(C5CC5)c34)C(O)=O;c1c2c(c3c(c1F)N4CCC(C4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5","InChI=1S/C20H20FN3O3/c21-14-8-12-17(24(10-4-5-10)9-13(19(12)25)20(26)27)11-2-1-3-16-15(22)6-7-23(16)18(11)14/h1-2,8-10,15-16H,3-7,22H2,(H,26,27)/t15-,16-/m1/s1","","2013-06-12","2014-11-21","(7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid","2014-11-26"],["OIY","Streptothricin D","C31 H58 N12 O10","NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O;NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O;C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)O","InChI=1S/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+/m0/s1","","2022-05-03","2023-04-14","2-[(3S)-3-amino-6-{(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido}hexanamido]-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine","2023-04-19"],["AF6","N-benzyl-9H-beta-carbolin-3-amine","C18 H15 N3","c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4;C(Nc1cc2c([nH]c3ccccc23)cn1)c4ccccc4;c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2","InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)","","2018-11-01","2021-06-25","N-benzyl-9H-beta-carbolin-3-amine","2021-06-30"],["OIZ","(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol","C6 H9 Cl O3","O[CH]1C=C[CH](Cl)[CH](O)[CH]1O;C1=CC(C(C(C1O)O)O)Cl","InChI=1S/C6H9ClO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1","L-carbaxylosyl chloride","2022-09-08","2024-03-08","(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol","2024-03-13"],["AF7","(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid","C32 H48 O5","C45C(C3C(C=C2C1C(C)C(CCC1(C)CCC2(C)C3(C)CC4)C)=O)(C)CCC(C5(C)C(O)=O)OC(=O)C;C[CH]1CC[C]2(C)CC[C]3(C)C(=CC(=O)[CH]4[C]5(C)CC[CH](OC(C)=O)[C](C)([CH]5CC[C]34C)C(O)=O)[CH]2[CH]1C;CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C","InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1","","2017-07-14","2020-05-08","(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid","2020-05-13"],["AF8","3-hydroxy-N-{(2S,3R)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide","C28 H31 N3 O6 S2","O=S(=O)(c2sc(c1oncc1)cc2)N(CC(C)C)CC(O)C(NC(=O)c3cccc(O)c3)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)[S](=O)(=O)c3sc(cc3)c4oncc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4","InChI=1S/C28H31N3O6S2/c1-19(2)17-31(39(35,36)27-12-11-26(38-27)25-13-14-29-37-25)18-24(33)23(15-20-7-4-3-5-8-20)30-28(34)21-9-6-10-22(32)16-21/h3-14,16,19,23-24,32-33H,15,17-18H2,1-2H3,(H,30,34)/t23-,24+/m0/s1","","2011-06-06","2012-06-01","3-hydroxy-N-{(2S,3R)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide",""],["OJ0","Levobupivacaine","C18 H28 N2 O","CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C;CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C","InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1","(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide","2023-02-04","2023-11-01","(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide","2023-06-14"],["AF9","5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide","C14 H19 N5 O4 S","COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O;CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC","InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)","AF-219","2017-12-05","2021-03-01","5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide","2018-04-04"],["OJ1","1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one","C27 H24 Cl F N4 O2","CCC(N1CCN(CC1)c2c5c(c(nn2)c3ccccc3)cc(c4c(cccc4F)O)c(Cl)c5)=O;CCC(=O)N1CCN(CC1)c2nnc(c3ccccc3)c4cc(c(Cl)cc24)c5c(O)cccc5F;CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl","InChI=1S/C27H24ClFN4O2/c1-2-24(35)32-11-13-33(14-12-32)27-19-16-21(28)20(25-22(29)9-6-10-23(25)34)15-18(19)26(30-31-27)17-7-4-3-5-8-17/h3-10,15-16,34H,2,11-14H2,1H3","","2019-06-25","2024-09-27","1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one","2019-12-25"],["AFA","N-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINE","C13 H20 N2 O4","O=C(NC(C(=O)O)CC(=O)N)/C=CC=CCC(C)C;CC(C)CC=CC=CC(=O)N[CH](CC(N)=O)C(O)=O;CC(C)CC=CC=CC(=O)NC(CC(=O)N)C(=O)O","InChI=1S/C13H20N2O4/c1-9(2)6-4-3-5-7-12(17)15-10(13(18)19)8-11(14)16/h3-5,7,9-10H,6,8H2,1-2H3,(H2,14,16)(H,15,17)(H,18,19)/b4-3+,7-5-/t10-/m0/s1","","1999-07-08","2011-06-04","N~2~-[(2Z,4E)-7-methylocta-2,4-dienoyl]-L-asparagine",""],["OJ2","1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea","C16 H15 F3 N2 O3","OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2;c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F","InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23)","1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea","2020-03-13","2021-03-01","1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea","2020-10-14"],["AFB","1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE","C16 H24 O4","O=C1OC(CCCC=CC2C(C(O)C=C1)CC(O)C2)C;C[CH]1CCCC=C[CH]2C[CH](O)C[CH]2[CH](O)C=CC(=O)O1;CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1","BREFELDIN A","2003-11-12","2021-03-01","(1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one",""],["OJ3","(5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone","C26 H26 F N O3","CC(O)(CCCc1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccc(F)cc2C1;C[C](O)(CCCc1ccccc1)c2cc(ccc2O)C(=O)N3Cc4ccc(F)cc4C3;CC(CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4ccc(cc4C3)F)O","InChI=1S/C26H26FNO3/c1-26(31,13-5-8-18-6-3-2-4-7-18)23-15-19(10-12-24(23)29)25(30)28-16-20-9-11-22(27)14-21(20)17-28/h2-4,6-7,9-12,14-15,29,31H,5,8,13,16-17H2,1H3/t26-/m0/s1","","2022-05-04","2022-12-23","(5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone","2022-12-28"],["AFC","(3R,12R)-3-amino-12-methyltetradecanoic acid","C15 H31 N O2","O=C(O)CC(N)CCCCCCCCC(C)CC;CC[CH](C)CCCCCCCC[CH](N)CC(O)=O;CCC(C)CCCCCCCCC(CC(=O)O)N","InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1","","2006-09-27","2024-09-27","(3R,12R)-3-amino-12-methyltetradecanoic acid",""],["OJ4","4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide","C18 H24 N2 O8 S2 Te","c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O;N[S](=O)(=O)c1ccc(OC[CH](O)C[Te]C[CH](O)COc2ccc(cc2)[S](N)(=O)=O)cc1;c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N","InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+","","2019-06-25","2019-08-16","4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide","2019-08-21"],["OJ5","4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine","C16 H15 Cl N4 O","Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23;c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4","InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)","","2020-03-13","2020-04-24","4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine","2020-04-29"],["AFD","alpha-D-allopyranose","C6 H12 O6","C1(O)OC(C(C(C1O)O)O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1","alpha-D-allose; D-allose; allose","2012-08-31","2020-07-17","alpha-D-allopyranose","2012-12-07"],["AFE","5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside","C21 H20 O10","O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4;C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O","InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1","afzelin; kaempherol 3-O-alpha-rhamnoside","2012-04-19","2020-05-26","5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside","2012-08-31"],["OJ6","(1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol","C6 H12 O4","OC1CCC(O)C(O)C1O;O[CH]1CC[CH](O)[CH](O)[CH]1O;C1CC(C(C(C1O)O)O)O","InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1","","2022-09-08","2024-09-27","(1R,2S,3S,4S)-cyclohexane-1,2,3,4-tetrol","2024-03-13"],["OJ7","3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole","C15 H10 Cl F3 N2","c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)cccc3;Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F;Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl","InChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3","","2019-06-25","2019-10-18","3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole","2019-10-23"],["AFF","2-ACETYLAMINOFLUORENE-3-YL","C15 H13 N O","O=C(Nc3ccc2c1ccccc1Cc2c3)C;CC(=O)Nc1ccc2c(Cc3ccccc23)c1;CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3","InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)","","2006-03-27","2011-06-04","N-9H-fluoren-2-ylacetamide",""],["AFG","N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-AMINOFLUORENE","C23 H23 N6 O7 P","NC1=Nc2n(C3CC(O)C(CO[P](O)(O)=O)O3)c(Nc4ccc5c(Cc6ccccc56)c4)nc2C(=O)N1;c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N","InChI=1S/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31)","","2004-09-16","2012-01-05","[(2S,3R,5S)-5-[2-amino-8-(9H-fluoren-2-ylamino)-6-oxo-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",""],["OJ8","(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol","C25 H22 N2 O3","n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc2ccccc2)cc3CC4)cccc5;O[CH]([CH]1CCc2cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5;c1ccc(cc1)Oc2ccc3c(c2)CCC(C3)C(c4ncc(o4)c5ccccn5)O","InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1","","2010-08-31","2024-09-27","(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl][5-(pyridin-2-yl)-1,3-oxazol-2-yl]methanol",""],["AFH","ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE","C17 H26 F N5 O15 P2","O=P(OC1OC(C(O)C(O)C1F)C(O)CO)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4F)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)F)O)O)N","InChI=1S/C17H26FN5O15P2/c18-7-10(27)11(28)13(5(25)1-24)36-17(7)37-40(32,33)38-39(30,31)34-2-6-9(26)12(29)16(35-6)23-4-22-8-14(19)20-3-21-15(8)23/h3-7,9-13,16-17,24-29H,1-2H2,(H,30,31)(H,32,33)(H2,19,20,21)/t5-,6+,7+,9+,10+,11-,12+,13+,16+,17-/m0/s1","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2S,3R,4S,5S,6R)-6-[(1S)-1,2-DIHYDROXYETHYL]-3-FLUORO-4,5-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL DIHYDROGEN DIPHOSPHATE","2006-07-24","2021-03-13","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-fluoro-4,5-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["OJ9","2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide","C19 H13 Cl N2 O2","Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21;Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1;c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl","InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23)","","2023-08-17","2023-11-03","2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["OJA","1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE","C28 H38 F N5","CC(C)N1CCN(CCNC2CCN(CC2)c3cccc(c3)c4[nH]c5ccc(F)cc5c4)CC1;CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F","InChI=1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3","","2016-01-14","2016-01-22","1-[3-(5-fluoranyl-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine","2016-01-27"],["AFI","2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE","C22 H19 Cl O3","O=C3c4ccccc4C(O)=C(O)C3=C2/CCC(c1ccc(Cl)cc1)CC2;OC1=C(O)[C](=[C]2CC[CH](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc14;c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O","InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,25-26H,5-8H2/t13-","","2004-01-06","2011-06-04","(2E)-2-[(4S)-4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxynaphthalen-1(2H)-one",""],["OJB","5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide","C19 H35 N3 O8","CCC(=O)NCCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CCC(=O)NCCCNC(=O)CCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C","InChI=1S/C19H35N3O8/c1-3-14(25)20-8-6-9-21-15(26)7-4-5-10-29-19-16(22-12(2)24)18(28)17(27)13(11-23)30-19/h13,16-19,23,27-28H,3-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/t13-,16-,17+,18-,19-/m1/s1","","2020-03-13","2021-01-08","5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide","2021-01-13"],["AFJ","(2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide","C25 H49 N3 O4 S","O=C(NC(C(=O)NC(CC(C)C)C(O)CC(C(=O)NCCCC)C)CCSC)CCC(C)C;CCCCNC(=O)[CH](C)C[CH](O)[CH](CC(C)C)NC(=O)[CH](CCSC)NC(=O)CCC(C)C;CCCCNC(=O)C(C)CC(C(CC(C)C)NC(=O)C(CCSC)NC(=O)CCC(C)C)O","InChI=1S/C25H49N3O4S/c1-8-9-13-26-24(31)19(6)16-22(29)21(15-18(4)5)28-25(32)20(12-14-33-7)27-23(30)11-10-17(2)3/h17-22,29H,8-16H2,1-7H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20+,21+,22+/m1/s1","(2R,4S,5S)-4-Hydroxy-2,7-dimethyl-5-[(S)-2-(4-methyl-pentanoylamino)-4-methylsulfanyl-butyrylamino]-octanoic acid butylamide","2008-07-21","2021-03-13","(2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide",""],["OJC","(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione","C15 H21 N5 O13 P2","Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2C1O)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH](O[CH]4[CH]3O)[CH](O)[CH]5O;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OP(=O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N","InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","","2022-05-06","2022-09-02","(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione","2022-09-07"],["AFK","[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine","C15 H16 Cl N O","COc1ccc(C)cc1c2ccc(CN)cc2Cl;Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC","InChI=1S/C15H16ClNO/c1-10-3-6-15(18-2)13(7-10)12-5-4-11(9-17)8-14(12)16/h3-8H,9,17H2,1-2H3","","2017-08-18","2018-08-31","[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine","2018-09-05"],["AFL","ALPHA-L-FUCOSE","C6 H12 O5","OC1C(O)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1","","2002-09-19","2008-10-14","6-deoxy-beta-L-galactopyranose",""],["OJD","(4R)-4-(2-phenylethyl)pyrrolidin-2-one","C12 H15 N O","O=C2NCC(CCc1ccccc1)C2;O=C1C[CH](CCc2ccccc2)CN1;c1ccc(cc1)CCC2CC(=O)NC2","InChI=1S/C12H15NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/t11-/m1/s1","","2015-01-22","2015-05-01","(4R)-4-(2-phenylethyl)pyrrolidin-2-one","2015-05-06"],["AFM","2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide","C24 H25 F N6 O2","c4(OCC1C(CCNC1)c2ccc(c(c2)C(NCc3nncc3)=O)F)cc5c(cc4)nnc5;Fc1ccc(cc1C(=O)NCc2cc[nH]n2)[CH]3CCNC[CH]3COc4ccc5[nH]ncc5c4;c1cc(c(cc1C2CCNCC2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F","InChI=1S/C24H25FN6O2/c25-22-3-1-15(10-21(22)24(32)27-13-18-5-8-28-30-18)20-6-7-26-11-17(20)14-33-19-2-4-23-16(9-19)12-29-31-23/h1-5,8-10,12,17,20,26H,6-7,11,13-14H2,(H,27,32)(H,28,30)(H,29,31)/t17-,20-/m0/s1","","2017-07-16","2017-12-22","2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide","2017-12-27"],["OJF","[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate","C73 H131 N7 O12 S","CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH](CCCCNC(=O)c1ccccc1N)C(N)=O;CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)c1ccccc1N)C(=O)N","InChI=1S/C73H131N7O12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-50-66(83)77-65(73(90)80-64(55-82)72(89)79-63(54-81)71(88)78-62(69(75)86)49-45-46-53-76-70(87)60-47-43-44-48-61(60)74)58-93-57-59(92-68(85)52-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-91-67(84)51-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h43-44,47-48,59,62-65,81-82H,4-42,45-46,49-58,74H2,1-3H3,(H2,75,86)(H,76,87)(H,77,83)(H,78,88)(H,79,89)(H,80,90)/t59-,62-,63-,64-,65+/m1/s1","","2022-09-09","2023-07-07","[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate","2023-07-12"],["OJG","N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide","C16 H21 N3 O2","C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2;OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1;c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO","InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)","","2019-06-26","2019-12-06","N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide","2019-12-11"],["AFN","8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1","C17 H14 O7","O=C5C=4C(=O)Oc3c1c(OC2OCC(O)C12)cc(OC)c3C=4CC5;COc1cc2O[CH]3OC[CH](O)[CH]3c2c4OC(=O)C5=C(CCC5=O)c14;COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(COC5O2)O","InChI=1S/C17H14O7/c1-21-9-4-10-14(13-8(19)5-22-17(13)23-10)15-12(9)6-2-3-7(18)11(6)16(20)24-15/h4,8,13,17,19H,2-3,5H2,1H3/t8-,13-,17+/m0/s1","","2003-01-03","2011-06-04","(6aR,9R,9aR)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",""],["OJH","~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide","C20 H25 Br N4 O5 S","C[CH]1CCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)N[C](C)(C4CC4)C3=O)ccc2Br;CC1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)C(NC3=O)(C)C4CC4","InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20+/m0/s1","","2020-03-16","2020-05-01","~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide","2020-05-06"],["AFO","octyl alpha-D-arabinofuranoside","C13 H26 O5","O(CCCCCCCC)C1OC(C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(O1)CO)O)O","InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1","octyl alpha-D-arabinoside; octyl D-arabinoside; octyl arabinoside","2010-12-06","2020-07-17","octyl alpha-D-arabinofuranoside",""],["OJI","(2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","C10 H13 N5 O4","Nc1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1;c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1","","2023-02-07","2023-03-24","(2~{R},3~{R},4~{S},5~{R})-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","2023-03-29"],["AFP","1,6-di-O-phosphono-alpha-D-fructofuranose","C6 H14 O12 P2","O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O;O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1","ALPHA FRUCTOSE 1,6-DIPHOSPHATE; 1,6-di-O-phosphono-alpha-D-fructose; 1,6-di-O-phosphono-D-fructose;\n1,6-di-O-phosphono-fructose","1999-07-08","2020-07-17","1,6-di-O-phosphono-alpha-D-fructofuranose",""],["AFQ","6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C18 H25 N7 O","O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCC4CCCC4;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCC4)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N","InChI=1S/C18H25N7O/c1-20-18-22-13-8-12-14(23-17(19)25-16(12)26)11(15(13)24-18)6-7-21-9-10-4-2-3-5-10/h8,10,21H,2-7,9H2,1H3,(H2,20,22,24)(H3,19,23,25,26)","","2009-03-02","2011-06-04","6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["OJJ","methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate","C17 H23 N3 O3","OCc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2;COC(=O)N(CCCCc1[nH]cc(CO)n1)Cc2ccccc2;COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2","InChI=1S/C17H23N3O3/c1-23-17(22)20(12-14-7-3-2-4-8-14)10-6-5-9-16-18-11-15(13-21)19-16/h2-4,7-8,11,21H,5-6,9-10,12-13H2,1H3,(H,18,19)","","2019-06-26","2019-12-06","methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate","2019-12-11"],["AFR","alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride","C6 H9 F O5","O=C1C(O)C(O)C(F)(OC1)CO;OC[C]1(F)OCC(=O)[CH](O)[CH]1O;C1C(=O)C(C(C(O1)(CO)F)O)O","InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6-/m1/s1","2-OXO-1,2,DIDEOXY-5F-D-GLUCOPYRANOSE; alpha-D-threo-hexo-2,5-diulo-5,1-syl fluoride; D-threo-hexo-2,5-diulo-5,1-syl\nfluoride; threo-hexo-2,5-diulo-5,1-syl fluoride","2012-03-14","2020-07-17","alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride","2013-03-27"],["OJK","2-(aminomethyl)-5-chloranyl-benzene-1,4-diol","C7 H8 Cl N O2","NCc1cc(O)c(Cl)cc1O;c1c(c(cc(c1O)Cl)O)CN","InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2","","2021-03-22","2024-09-27","2-(aminomethyl)-5-chloranyl-benzene-1,4-diol","2021-03-31"],["OJL","3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide","C32 H34 F3 N5 O4","CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC)c(OC)cc54)c3)cc2C(F)(F)F)CC1;CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F;CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4c5cc(c(cc5ncn4)OC)OC)C","InChI=1S/C32H34F3N5O4/c1-5-39-10-12-40(13-11-39)18-22-8-9-23(15-25(22)32(33,34)35)38-30(41)21-7-6-20(2)27(14-21)44-31-24-16-28(42-3)29(43-4)17-26(24)36-19-37-31/h6-9,14-17,19H,5,10-13,18H2,1-4H3,(H,38,41)","","2022-05-09","2022-12-23","3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide","2022-12-28"],["AFS","N-[(1R)-1-phosphonoethyl]-L-alaninamide","C5 H13 N2 O4 P","O=C(NC(C)P(=O)(O)O)C(N)C;C[CH](N)C(=O)N[CH](C)[P](O)(O)=O;CC(C(=O)NC(C)P(=O)(O)O)N","InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1","Alafosfalin","2013-01-17","2020-06-17","N-[(1R)-1-phosphonoethyl]-L-alaninamide","2013-07-10"],["AFT","AFLATOXIN B1","C17 H12 O6","O=C5C=4C(=O)Oc3c1c(OC2OC=CC12)cc(OC)c3C=4CC5;COc1cc2O[CH]3OC=C[CH]3c2c4OC(=O)C5=C(CCC5=O)c14;COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C=COC5O2","InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1","","2010-06-28","2011-06-04","(6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",""],["OJM","ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate","C9 H14 N2 O3","c1c(nc(CCC(=O)OCC)n1)CO;CCOC(=O)CCc1[nH]cc(CO)n1;CCOC(=O)CCc1[nH]cc(n1)CO","InChI=1S/C9H14N2O3/c1-2-14-9(13)4-3-8-10-5-7(6-12)11-8/h5,12H,2-4,6H2,1H3,(H,10,11)","","2019-06-26","2019-12-06","ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate","2019-12-11"],["AFU","2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide","C21 H22 N6 O","c1cc(ccn1)NC(=O)c2c(N)ncc(c2)c3cccc(c3)N4CCNCC4;Nc1ncc(cc1C(=O)Nc2ccncc2)c3cccc(c3)N4CCNCC4;c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4","InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)","","2018-11-01","2019-06-21","2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide","2019-06-26"],["OJN","1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","C29 H33 N5 O2 S","COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4ccc(SC)cc4)c3C2)c5ccccc15;COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5ccc(cc5)SC)C3","InChI=1S/C29H33N5O2S/c1-36-27-12-9-21(23-5-3-4-6-24(23)27)18-33-15-13-26-25(19-33)28(32-34(26)16-14-30)29(35)31-17-20-7-10-22(37-2)11-8-20/h3-12H,13-19,30H2,1-2H3,(H,31,35)","1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide","2022-09-12","2025-01-24","1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide","2025-01-29"],["OJO","1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one","C13 H17 Cl N2 O2","CC(=O)N1CCN(Cc2cc(Cl)cc(O)c2)CC1;CC(=O)N1CCN(CC1)Cc2cc(O)cc(Cl)c2;CC(=O)N1CCN(CC1)Cc2cc(cc(c2)Cl)O","InChI=1S/C13H17ClN2O2/c1-10(17)16-4-2-15(3-5-16)9-11-6-12(14)8-13(18)7-11/h6-8,18H,2-5,9H2,1H3","","2023-08-17","2024-09-27","1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one","2023-11-08"],["AFV","2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide","C26 H26 F N5 O2","c1(c(cc(cc1)C4C(COc3cc2c(nnc2)cc3)CNCC4)C(=O)NCc5ncccc5)F;Fc1ccc(cc1C(=O)NCc2ccccn2)[CH]3CCNC[CH]3COc4ccc5[nH]ncc5c4;c1ccnc(c1)CNC(=O)c2cc(ccc2F)C3CCNCC3COc4ccc5c(c4)cn[nH]5","InChI=1S/C26H26FN5O2/c27-24-6-4-17(12-23(24)26(33)30-15-20-3-1-2-9-29-20)22-8-10-28-13-19(22)16-34-21-5-7-25-18(11-21)14-31-32-25/h1-7,9,11-12,14,19,22,28H,8,10,13,15-16H2,(H,30,33)(H,31,32)/t19-,22-/m0/s1","","2017-07-16","2017-12-22","2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide","2017-12-27"],["AFW","[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine","C15 H13 Cl F3 N O","COc1ccc(cc1c2ccc(CN)cc2Cl)C(F)(F)F;COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F","InChI=1S/C15H13ClF3NO/c1-21-14-5-3-10(15(17,18)19)7-12(14)11-4-2-9(8-20)6-13(11)16/h2-7H,8,20H2,1H3","","2017-08-18","2018-08-31","[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine","2018-09-05"],["OJP","N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide","C11 H17 N3 O2","c1c(nc(CCCCNC(/C=C)=O)n1)CO;OCc1c[nH]c(CCCCNC(=O)C=C)n1;C=CC(=O)NCCCCc1[nH]cc(n1)CO","InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14)","","2019-06-26","2019-12-06","N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide","2019-12-11"],["AFX","(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one","C11 H10 F N5 O3","FC1=C(C(=O)C(O)C1n2c3ncnc(c3nc2)N)CO;Nc1ncnc2n(cnc12)[CH]3[CH](O)C(=O)C(=C3F)CO;c1nc(c2c(n1)n(cn2)C3C(C(=O)C(=C3F)CO)O)N","InChI=1S/C11H10FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7,9,18,20H,1H2,(H2,13,14,15)/t7-,9+/m1/s1","","2010-06-29","2011-06-04","(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one",""],["OJQ","[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium","C11 H15 N3 O7 P","Cc1ncc(CO[P](O)(O)=O)c(C[NH2+]c2conc2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O","InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)/p+1","","2020-03-16","2020-03-27","[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium","2020-04-01"],["OJR","(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","C24 H31 N7 O2 S","NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1;N[S](=O)(=O)c1c(CC2CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nnn5;c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)CC4CCNCC4)C5CCNCC5","InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)","","2022-05-09","2023-05-19","(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","2023-05-24"],["AFY","(3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid","C16 H29 N2 O10 P S","C(SC1(CC(O)=O)COC1)CNC(CCNC(C(C(C)(C)COP(O)(O)=O)O)=O)=O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC1(COC1)CC(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O","InChI=1S/C16H29N2O10PS/c1-15(2,8-28-29(24,25)26)13(22)14(23)18-4-3-11(19)17-5-6-30-16(7-12(20)21)9-27-10-16/h13,22H,3-10H2,1-2H3,(H,17,19)(H,18,23)(H,20,21)(H2,24,25,26)/t13-/m0/s1","","2017-07-17","2018-04-13","(3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid","2018-04-18"],["AFZ","2,4-BIS(4-AMIDINOPHENYL)FURAN","C18 H16 N4 O","[N@H]=C(N)c3ccc(c2occ(c1ccc(C(=[N@H])N)cc1)c2)cc3;NC(=N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)C(N)=N;[H]N=C(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(=N[H])N)N","InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-16(23-10-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)","","2006-05-09","2011-06-04","4,4'-furan-2,4-diyldibenzenecarboximidamide",""],["OJT","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid","C36 H36 Cl2 N4 O5 S","COc1ccccc1C[CH](Oc2ncnc3sc(c4cccc(Cl)c4)c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)c23)C(O)=O;Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)OC(Cc6ccccc6OC)C(=O)O","InChI=1S/C36H36Cl2N4O5S/c1-22-26(11-12-28(32(22)38)46-18-17-42-15-13-41(2)14-16-42)30-31-34(47-29(36(43)44)20-23-7-4-5-10-27(23)45-3)39-21-40-35(31)48-33(30)24-8-6-9-25(37)19-24/h4-12,19,21,29H,13-18,20H2,1-3H3,(H,43,44)/t29-/m1/s1","","2020-03-17","2020-11-13","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid","2020-11-18"],["AG0","(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one","C29 H37 N5 O3","O=C2OC(C1CCCC1)(CC(O)=C2Cc3nc4nc(cc(n4n3)C)C)CCc5cc(nc(c5)CC)CC;CCc1cc(CC[C]2(CC(=C(Cc3nn4c(C)cc(C)nc4n3)C(=O)O2)O)C5CCCC5)cc(CC)n1;CCc1cc(cc(n1)CC)CCC2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5","InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1","","2009-01-12","2011-06-04","(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one",""],["OJU","2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium","C18 H33 Cl N5 O12 P2","C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N;C[N+](C)(CCCNC(=O)CCl)CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O","InChI=1S/C18H32ClN5O12P2/c1-24(2,7-3-5-21-14(25)10-19)8-9-33-37(29,30)36-38(31,32)34-11-12-15(26)16(27)17(35-12)23-6-4-13(20)22-18(23)28/h4,6,12,15-17,26-27H,3,5,7-11H2,1-2H3,(H4-,20,21,22,25,28,29,30,31,32)/p+1","Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)","2022-09-13","2024-09-27","2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium","2023-04-12"],["AG1","RUTHENIUM PYRIDOCARBAZOLE","C27 H17 F N4 O7 Ru","O=C(O)C(NC(=O)C1(C=CC=C1)[Ru]7(C#[O+])n3c2c6c(c5c(c2c4c3ccc(O)c4)C(=O)NC5=O)cc(F)c[n+]67)C;C[CH](NC(=O)C1(C=CC=C1)[Ru]2(C#[O+])n3c4ccc(O)cc4c5c3c6c(cc(F)c[n+]26)c7C(=O)NC(=O)c57)C(O)=O;CC(C(=O)O)NC(=O)C1(C=CC=C1)[Ru]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+]","InChI=1S/C17H8FN3O3.C9H10NO3.CO.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6;1-6(9(12)13)10-8(11)7-4-2-3-5-7;1-2;/h1-5H,(H3,19,20,21,22,23,24);2-6H,1H3,(H,10,11)(H,12,13);;/q;;+1;+2/p-1/t;6-;;/m.0../s1","","2008-09-08","2011-06-04","carbonyl(1-{[(1S)-1-carboxyethyl]carbamoyl}cyclopenta-2,4-dien-1-yl)(3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')ruthenium(2+)",""],["OJW","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid","C38 H38 Cl F N6 O6 S","CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6ccnn6C)C(O)=O)c34)c7oc(F)cc7)CC1;Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)OC(Cc6ccccc6OCc7ccnn7C)C(=O)O","InChI=1S/C38H38ClFN6O6S/c1-23-26(8-9-28(34(23)39)49-19-18-46-16-14-44(2)15-17-46)32-33-36(41-22-42-37(33)53-35(32)29-10-11-31(40)51-29)52-30(38(47)48)20-24-6-4-5-7-27(24)50-21-25-12-13-43-45(25)3/h4-13,22,30H,14-21H2,1-3H3,(H,47,48)/t30-/m1/s1","","2020-03-17","2020-11-13","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid","2020-11-18"],["OJX","5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid","C6 H7 N2 O3","Cc1cnc(c[n+]1O)C(O)=O;Cc1cnc(c[n+]1O)C(=O)O","InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H-,7,9,10,11)/p+1","","2023-02-07","2023-11-17","5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid","2023-11-22"],["AG2","AGMATINE","C5 H14 N4","[N@H]=C(N)NCCCCN;NCCCCNC(N)=N;C(CCNC(=N)N)CN","InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)","(4-AMINOBUTYL)GUANIDINE","2002-10-04","2024-09-27","1-(4-aminobutyl)guanidine",""],["OJY","5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline","C9 H15 N3 O3","C(c1nc(CO)cn1)CCC(C(=O)O)N;N[CH](CCCc1[nH]c(CO)cn1)C(O)=O;c1c([nH]c(n1)CCCC(C(=O)O)N)CO","InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1","","2019-06-26","2019-12-06","5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline","2019-12-11"],["AG3","1-{4-[(3-aminopropyl)amino]butyl}guanidine","C8 H21 N5","[N@H]=C(N)NCCCCNCCCN;NCCCNCCCCNC(N)=N;[H]N=C(N)NCCCCNCCCN","InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)","N1-aminopropylagmatine","2007-06-26","2020-06-17","1-{4-[(3-aminopropyl)amino]butyl}guanidine",""],["AG4","N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide","C16 H19 N3 O4 S2","COCCCNC(=O)c1cc(cnc1Sc2ccccc2)[S](N)(=O)=O;COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N","InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)","","2008-11-11","2012-01-05","",""],["OK0","(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide","C19 H19 F3 N6 O2 S","FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1;N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F;c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4","InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28)","","2022-05-09","2023-05-19","(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide","2023-05-24"],["AG5","N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide","C20 H19 N3 O3 S2","O=S(=O)(c2cnc(Sc1ccccc1)c(c2)C(=O)NCCc3ccccc3)N;N[S](=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc3ccccc3;c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N","InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)","","2008-11-11","2011-06-04","N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide",""],["OK1","3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid","C15 H16 Cl N O5","OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12;c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O","InChI=1S/C15H16ClNO5/c16-10-6-11-13(7-12(10)21-8-9-2-1-3-9)22-15(20)17(11)5-4-14(18)19/h6-7,9H,1-5,8H2,(H,18,19)","","2017-01-31","2017-04-14","3-[5-chloranyl-6-(cyclobutylmethoxy)-2-oxidanylidene-1,3-benzoxazol-3-yl]propanoic acid","2017-04-19"],["OK2","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid","C40 H38 Cl F N6 O5 S","CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6cnccn6)C(O)=O)c34)c7ccc(F)cc7)CC1;Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)OC(Cc6ccccc6OCc7cnccn7)C(=O)O","InChI=1S/C40H38ClFN6O5S/c1-25-30(11-12-32(36(25)41)51-20-19-48-17-15-47(2)16-18-48)34-35-38(45-24-46-39(35)54-37(34)26-7-9-28(42)10-8-26)53-33(40(49)50)21-27-5-3-4-6-31(27)52-23-29-22-43-13-14-44-29/h3-14,22,24,33H,15-21,23H2,1-2H3,(H,49,50)/t33-/m1/s1","","2020-03-17","2020-11-13","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid","2020-11-18"],["AG6","N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide","C35 H39 N3 O7","CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(=O)OCc2ccccc2)C=CC(=O)c3ccccc3;CCCC(C=CC(=O)c1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)O)NC(=O)OCc3ccccc3","InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/t28-,29-,30-/m0/s1","","2009-02-23","2024-09-27","(4S)-5-oxo-5-[[(2S)-1-oxo-1-[[(4S)-1-oxo-1-phenyl-hept-2-en-4-yl]amino]-3-phenyl-propan-2-yl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid",""],["3A7","(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","C23 H29 Br N4 O2","Brc1ccc(cc1)C(=O)N3C(CC2C(CCCC2)C3)CNC(C=O)Cc4cncn4;Brc1ccc(cc1)C(=O)N2C[CH]3CCCC[CH]3C[CH]2CN[CH](Cc4[nH]cnc4)C=O;c1cc(ccc1C(=O)N2CC3CCCCC3CC2CNC(Cc4cnc[nH]4)C=O)Br","InChI=1S/C23H29BrN4O2/c24-19-7-5-16(6-8-19)23(30)28-13-18-4-2-1-3-17(18)9-22(28)12-26-21(14-29)10-20-11-25-15-27-20/h5-8,11,14-15,17-18,21-22,26H,1-4,9-10,12-13H2,(H,25,27)/t17-,18-,21+,22+/m1/s1","","2014-07-15","2015-02-13","(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","2015-02-18"],["OK3","(4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid","C17 H18 B N2 O6","NCc1ccc(cc1)C(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O;[B-]1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O","InChI=1S/C17H18BN2O6/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)26-18(14,24)25/h1-7,14,24-25H,8-9,19H2,(H,20,21)(H,22,23)/q-1/t14-/m0/s1","","2015-12-08","2024-09-27","(4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid","2016-08-10"],["3A8","(4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one","C17 H13 N3 O2","O=C3c1c(c(nn1)c2ccccc2)C(N3)c4ccc(O)cc4;Oc1ccc(cc1)[CH]2NC(=O)c3[nH]nc(c4ccccc4)c23;c1ccc(cc1)c2c3c([nH]n2)C(=O)NC3c4ccc(cc4)O","InChI=1S/C17H13N3O2/c21-12-8-6-11(7-9-12)14-13-15(10-4-2-1-3-5-10)19-20-16(13)17(22)18-14/h1-9,14,21H,(H,18,22)(H,19,20)/t14-/m0/s1","","2014-07-15","2014-11-07","(4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one","2014-11-12"],["OK4","N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide","C19 H32 N6 O5","C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1;CC(C)[CH](NC(=O)[CH](CCCc1[nH]c(CO)cn1)NC(=O)[CH](C)NC(C)=O)C(N)=O;CC(C)C(C(=O)N)NC(=O)C(CCCc1[nH]c(cn1)CO)NC(=O)C(C)NC(=O)C","InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1","","2019-06-26","2019-12-06","N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide","2019-12-11"],["OK5","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid","C47 H44 Cl F N6 O6 S","COc1ccccc1c2nccc(COc3ccccc3C[CH](Oc4ncnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8)c(Cl)c7C)c45)C(O)=O)n2;Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)OC(Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O","InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1","","2020-03-17","2020-11-13","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid","2020-11-18"],["3A9","2,3-dihydro-1-benzofuran-5-carboxylic acid","C9 H8 O3","O=C(O)c2cc1c(OCC1)cc2;OC(=O)c1ccc2OCCc2c1;c1cc2c(cc1C(=O)O)CCO2","InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)","","2014-03-20","2014-04-11","2,3-dihydro-1-benzofuran-5-carboxylic acid","2014-04-16"],["3AA","3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE","C20 H29 N7 O16 P3","Nc1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N","InChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1","ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 2'-(DIHYDROGEN PHOSPHATE)ESTER WITH 3-(AMINO)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM\nINNER SALT","2000-06-27","2020-06-17","[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["OK6","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","C27 H29 N9 O13 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68;c1ccc(cc1)c2cn(c3c2c(ncn3)N)C4C(C5C(O4)COP(=O)(OC6C(C(COP(=O)(O5)O)OC6n7cnc8c7N=C(NC8=O)N)O)O)O","InChI=1S/C27H29N9O13P2/c28-21-15-12(11-4-2-1-3-5-11)6-35(22(15)31-9-30-21)25-18(38)19-14(47-25)8-45-51(42,43)49-20-17(37)13(7-44-50(40,41)48-19)46-26(20)36-10-32-16-23(36)33-27(29)34-24(16)39/h1-6,9-10,13-14,17-20,25-26,37-38H,7-8H2,(H,40,41)(H,42,43)(H2,28,30,31)(H3,29,33,34,39)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1","2',3'-cyclic-GMP-7-deazaphenyl-AMP","2022-09-13","2023-05-15","2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","2022-10-12"],["OK7","N-(thiophen-2-yl)acetamide","C6 H7 N O S","CC(=O)Nc1sccc1;CC(=O)Nc1sccc1;CC(=O)Nc1cccs1","InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)","","2019-06-26","2019-10-18","N-(thiophen-2-yl)acetamide","2019-10-23"],["3AB","3-aminobenzamide","C7 H8 N2 O","O=C(c1cc(N)ccc1)N;NC(=O)c1cccc(N)c1;c1cc(cc(c1)N)C(=O)N","InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)","","2009-03-24","2011-06-04","3-aminobenzamide",""],["3AC","(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE","C17 H15 I N2 O2","IC2=C(Oc1cc(C=CC#N)ccc1)C(=C(NC2=O)C)CC;CCC1=C(C)NC(=O)C(=C1Oc2cccc(C=CC#N)c2)I;CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C","InChI=1S/C17H15IN2O2/c1-3-14-11(2)20-17(21)15(18)16(14)22-13-8-4-6-12(10-13)7-5-9-19/h4-8,10H,3H2,1-2H3,(H,20,21)/b7-5+","","2005-09-30","2011-06-04","(2E)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}prop-2-enenitrile",""],["OK8","(2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car\nbonylamino]butanedioic acid","C13 H19 N4 O12 P","Nc1n(cnc1C(=O)N[CH](CC(O)=O)C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1","SAICAR","2020-03-17","2020-07-03","(2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]butanedioic acid","2020-07-08"],["3AD","3'-DEOXYADENOSINE","C10 H13 N5 O3","n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C[CH]3O;c1nc(c2c(n1)n(cn2)C3C(CC(O3)CO)O)N","InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1","","2000-08-03","2011-06-04","3'-deoxyadenosine",""],["OK9","N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide","C16 H16 N2 O3 S2","O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1;O=CC(NC(=O)c1sccc1)=Cc2sc(cc2)N3CCOCC3;c1cc(sc1)C(=O)NC(=Cc2ccc(s2)N3CCOCC3)C=O","InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-","","2023-08-17","2024-09-27","N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide","2023-11-08"],["3AE","4-(trifluoromethyl)benzoic acid","C8 H5 F3 O2","FC(F)(F)c1ccc(C(=O)O)cc1;OC(=O)c1ccc(cc1)C(F)(F)F;c1cc(ccc1C(=O)O)C(F)(F)F","InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)","","2014-07-16","2015-05-01","4-(trifluoromethyl)benzoic acid","2015-05-06"],["OKA","OKADAIC ACID","C44 H68 O13","O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C5OC4(OCCCC4)CCC5C)C)CC6)C)C(O)CC7;C[CH]1CC[C]2(CCCCO2)O[CH]1[CH](C)C[CH](O)[CH]3O[CH]4CC[C]5(CC[CH](O5)C=C[CH](C)[CH]6CC(=C[C]7(O[CH](CC[CH]7O)C[C](C)(O)C(O)=O)O6)C)O[CH]4[CH](O)C3=C;CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O","InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1","9,10-DEEPITHIO-9,10-DIDEHYDROACANTHIFOLICIN","2001-07-24","2021-03-13","(2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid",""],["3AF","2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]PHENYL}FURAN","C28 H40 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC(C)CCC)c3ccc(cc3)C(N)NC(C)CCC;CCC[CH](C)N[CH](N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)[CH](N)N[CH](C)CCC;CCCC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)CCC)N","InChI=1S/C28H40N4O/c1-5-7-19(3)31-27(29)23-13-9-21(10-14-23)25-17-18-26(33-25)22-11-15-24(16-12-22)28(30)32-20(4)8-6-2/h9-20,27-28,31-32H,5-8,29-30H2,1-4H3/t19-,20-,27+,28+/m1/s1","","2006-05-09","2011-06-04","(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}",""],["OKC","(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","C18 H20 N6 O2 S","NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1;N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4;c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4","InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24)","","2022-05-09","2023-05-19","(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","2023-05-24"],["3AG","2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE","C9 H18 N O7 P2","CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C;CC(=CCCN(C)CCOP(=O)([O-])OP(=O)([O-])[O-])C","InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3","3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE","2002-11-06","2020-06-17","[2-(methyl-(4-methylpent-3-enyl)amino)ethoxy-oxido-phosphoryl] phosphate",""],["OKD","N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,14-PENTAOXAPENTADEC-1-YL)-1H-1,2,3-TRIAZOL-1-YL]PENTYL}CARBAMOYL)-L-GLUTAMIC ACID","C24 H41 N5 O12","O=C(O)C(NC(=O)NC(C(=O)O)CCCCn1nnc(c1)COCCOCCOCCOCCOC)CCC(=O)O;COCCOCCOCCOCCOCc1cn(CCCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)nn1;COCCOCCOCCOCCOCc1cn(nn1)CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C24H41N5O12/c1-37-8-9-38-10-11-39-12-13-40-14-15-41-17-18-16-29(28-27-18)7-3-2-4-19(22(32)33)25-24(36)26-20(23(34)35)5-6-21(30)31/h16,19-20H,2-15,17H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H2,25,26,36)/t19-,20-/m0/s1","","2010-05-14","2011-06-04","N-({(1S)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1H-1,2,3-triazol-1-yl]pentyl}carbamoyl)-L-glutamic acid",""],["3AH","[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-5-YL]-AMINE","C8 H11 N7 O2","O=C(O)C(N)Cc2ncn(c1nc(nn1)N)c2;N[CH](Cc1cn(cn1)c2[nH]nc(N)n2)C(O)=O;c1c(ncn1c2[nH]nc(n2)N)CC(C(=O)O)N","InChI=1S/C8H11N7O2/c9-5(6(16)17)1-4-2-15(3-11-4)8-12-7(10)13-14-8/h2-3,5H,1,9H2,(H,16,17)(H3,10,12,13,14)/t5-/m0/s1","","1999-12-01","2024-09-27","1-(3-amino-1H-1,2,4-triazol-5-yl)-L-histidine",""],["OKE","2-(hydroxymethyl)-6-methoxy-phenol","C8 H10 O3","COc1cccc(CO)c1O;COc1cccc(c1O)CO","InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3","o-vanillin","2020-03-18","2021-02-12","2-(hydroxymethyl)-6-methoxy-phenol","2021-02-17"],["OKF","3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid","C24 H21 N O2","O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1;Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c(c4ccccc4)c2c1;Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)c4ccccc4","InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)","","2023-05-05","2023-06-09","3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid","2023-06-14"],["3AI","N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine","C23 H38 N4 O4 S","O=C(O)C(NC(=O)C(NC(=O)C(NCC(N)Cc1ccccc1)CCSC)C)C(C)CC;CC[CH](C)[CH](NC(=O)[CH](C)NC(=O)[CH](CCSC)NC[CH](N)Cc1ccccc1)C(O)=O;CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C(CCSC)NCC(Cc1ccccc1)N","InChI=1S/C23H38N4O4S/c1-5-15(2)20(23(30)31)27-21(28)16(3)26-22(29)19(11-12-32-4)25-14-18(24)13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,5,11-14,24H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t15-,16-,18-,19+,20-/m0/s1","","2011-02-17","2011-07-13","N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine",""],["OKG","4-peroxy-4-oxobutanoic acid","C4 H5 O5","OC(=O)CCC(=O)O[O-];OC(=O)CCC(=O)O[O-];C(CC(=O)O[O-])C(=O)O","InChI=1S/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)/p-1","","2017-08-09","2017-09-01","2-(3-carboxypropanoyl)dioxidan-1-ide","2017-09-06"],["3AJ","1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile","C32 H49 N O4","N#CC4(COC3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C)CC4;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](OCC4(CC4)C#N)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCC4(CC4)C#N)O)C","InChI=1S/C32H49NO4/c1-21(8-6-14-30(3,4)36)25-12-13-26-23(9-7-15-31(25,26)5)10-11-24-18-27(34)29(28(35)22(24)2)37-20-32(19-33)16-17-32/h10-11,21,25-29,34-36H,2,6-9,12-18,20H2,1,3-5H3/b23-10+,24-11-/t21-,25-,26+,27-,28-,29+,31-/m1/s1","","2014-07-16","2014-12-26","1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile","2014-12-31"],["3AK","1-benzyl-1H-indole-2,3-dione","C15 H11 N O2","O=C2c1ccccc1N(C2=O)Cc3ccccc3;O=C1N(Cc2ccccc2)c3ccccc3C1=O;c1ccc(cc1)CN2c3ccccc3C(=O)C2=O","InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2","","2013-06-04","2014-04-04","1-benzyl-1H-indole-2,3-dione","2014-04-09"],["OKH","2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid","C28 H32 Cl N3 O3","O=C(O)c2ccc3nc(c1ccc(Cl)cc1)n(c3c2)C(C(=O)NC4CCCCC4)C5CCCCC5;OC(=O)c1ccc2nc(n([CH](C3CCCCC3)C(=O)NC4CCCCC4)c2c1)c5ccc(Cl)cc5;c1cc(ccc1c2nc3ccc(cc3n2C(C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl","InChI=1S/C28H32ClN3O3/c29-21-14-11-19(12-15-21)26-31-23-16-13-20(28(34)35)17-24(23)32(26)25(18-7-3-1-4-8-18)27(33)30-22-9-5-2-6-10-22/h11-18,22,25H,1-10H2,(H,30,33)(H,34,35)/t25-/m0/s1","","2010-09-06","2011-06-04","2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid",""],["OKI","(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide","C27 H32 Cl N3 O","Clc5ccc(c2nc1ccccc1n2C(C(=O)NC3CCCCC3)C4CCCCC4)cc5;Clc1ccc(cc1)c2nc3ccccc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5;c1ccc2c(c1)nc(n2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl","InChI=1S/C27H32ClN3O/c28-21-17-15-20(16-18-21)26-30-23-13-7-8-14-24(23)31(26)25(19-9-3-1-4-10-19)27(32)29-22-11-5-2-6-12-22/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,32)/t25-/m0/s1","","2010-09-06","2011-06-04","(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide",""],["3AL","1-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]UREA","C4 H6 N4 O3","O=C(NC1C(=O)NC(=O)N1)N;NC(=O)N[CH]1NC(=O)NC1=O;C1(C(=O)NC(=O)N1)NC(=O)N","InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1","(S)-ALLANTOIN","2007-06-04","2021-03-01","1-[(4S)-2,5-dioxoimidazolidin-4-yl]urea",""],["OKJ","(2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal","C10 H13 N O3","O=CC(O)C(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)[CH](O)C=O;c1cc(ccc1CC(C(C=O)O)N)O","InChI=1S/C10H13NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,6,9-10,13-14H,5,11H2/t9-,10+/m0/s1","","2011-04-19","2012-01-13","(2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal",""],["3AM","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate","C10 H14 N5 O7 P","O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3O)CO;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","3'-AMP","2008-01-23","2020-06-17","3'-adenylic acid",""],["3AN","3'-DEOXY 3'-AMINO ADENOSINE-5'-DIPHOSPHATE","C10 H16 N6 O9 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N;N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)N)O)N","InChI=1S/C10H16N6O9P2/c11-5-4(1-23-27(21,22)25-26(18,19)20)24-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1","","2001-01-08","2011-06-04","3'-amino-3'-deoxyadenosine 5'-(trihydrogen diphosphate)",""],["OKL","8-chloranyl-3-pentyl-7H-purine-2,6-dione","C10 H13 Cl N4 O2","CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12;CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O","InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)","","2023-02-07","2023-09-08","8-chloranyl-3-pentyl-7~{H}-purine-2,6-dione","2023-09-13"],["3AO","1-(3-aminophenyl)ethanone","C8 H9 N O","O=C(c1cc(N)ccc1)C;CC(=O)c1cccc(N)c1;CC(=O)c1cccc(c1)N","InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3","","2011-03-22","2012-03-16","1-(3-aminophenyl)ethanone",""],["OKM","4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol","C8 H15 N5 O","CC(Nc1nc(nc(NCC)n1)O)C;CCNc1nc(O)nc(NC(C)C)n1;CCNc1nc(nc(n1)O)NC(C)C","InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)","","2019-06-26","2019-11-08","4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol","2019-11-13"],["3AP","3-AMINOPYRIDINE","C5 H7 N2","Nc1ccc[nH+]c1;Nc1ccc[nH+]c1;c1cc(c[nH+]c1)N","InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2/p+1","","1999-07-08","2011-06-04","3-aminopyridinium",""],["OKN","5'-methyl-2'-deoxycytidine-5'-phosphorothioate","C10 H16 N3 O6 P S","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)S)O","InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(19-8)4-18-20(16,17)21/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,21)/t6-,7+,8+/m0/s1","","2020-03-19","2020-04-24","[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid","2020-04-29"],["3AQ","(4-hydroxyphenyl)acetonitrile","C8 H7 N O","N#CCc1ccc(O)cc1;Oc1ccc(CC#N)cc1;c1cc(ccc1CC#N)O","InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2","","2014-07-16","2015-05-01","(4-hydroxyphenyl)acetonitrile","2015-05-06"],["OKO","N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE","C24 H28 N6 O5 S","COc1ncc(cc1N[S](C)(=O)=O)c2cc3[nH]ncc3c(c2)c4oc(CN5C[CH](C)O[CH](C)C5)cn4;CC1CN(CC(O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C","InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+","","2015-08-26","2015-09-11","N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide","2015-09-16"],["OKP","{5-[(3-aminopropyl)amino]pentyl}boronic acid","C8 H21 B N2 O2","C(B(O)O)CCCCNCCCN;NCCCNCCCCCB(O)O;B(CCCCCNCCCN)(O)O","InChI=1S/C8H21BN2O2/c10-6-4-8-11-7-3-1-2-5-9(12)13/h11-13H,1-8,10H2","","2019-06-26","2019-09-13","{5-[(3-aminopropyl)amino]pentyl}boronic acid","2019-09-18"],["3AR","N-OMEGA-PROPYL-L-ARGININE","C9 H21 N4 O2","O=C(O)C(N)CCCNC(=[NH2+])NCCC;CCCNC(=[NH2+])NCCC[CH](N)C(O)=O;CCCNC(=[NH2+])NCCCC(C(=O)O)N","InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1","","2002-09-19","2011-06-04","{[(4S)-4-amino-4-carboxybutyl]amino}(propylamino)methaniminium",""],["3AS","(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol","C20 H20 F2 O4","FC4(F)CC2C(c3c(OC2c1ccc(O)cc1)c(cc(O)c3)COC)C4;COCc1cc(O)cc2[CH]3CC(F)(F)C[CH]3[CH](Oc12)c4ccc(O)cc4;COCc1cc(cc2c1OC(C3C2CC(C3)(F)F)c4ccc(cc4)O)O","InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m0/s1","","2007-10-08","2011-06-04","(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",""],["OKQ","2'-O-methylcytidine-5'-phosphorothioate","C10 H16 N3 O7 P S","CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N;COC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)S)O","InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1","","2020-03-19","2020-04-24","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid","2020-04-29"],["3AT","3'-DEOXYADENOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O12 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]3O;c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1","CORDYCEPIN TRIPHOSPHATE","2000-06-21","2021-03-01","3'-deoxyadenosine 5'-(tetrahydrogen triphosphate)",""],["OKR","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C20 H28 N10 O21 P4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]4n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(NC6=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N","InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-53(39,40)49-12-10(32)6(2-46-54(41,42)51-55(43,44)50-52(36,37)38)48-18(12)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H,41,42)(H,43,44)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1","","2022-05-10","2023-05-05","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-05-10"],["OKS","8-amino-N-hydroxyoctanamide","C8 H18 N2 O2","C(CCCCCCC(=O)NO)N;NCCCCCCCC(=O)NO;C(CCCC(=O)NO)CCCN","InChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)10-12/h12H,1-7,9H2,(H,10,11)","","2019-06-27","2019-09-13","8-amino-N-hydroxyoctanamide","2019-09-18"],["3AU","3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)","C13 H20 N3 O11 P","O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C2OC(C(O)C2O)COP(=O)(O)O;N[CH](CCN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O)C(O)=O;C1=CN(C(=O)N(C1=O)CCC(C(=O)O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7+,9+,10+,11+/m0/s1","","2011-01-18","2021-05-11","3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)",""],["3AV","6-methyl-2H-chromen-2-one","C10 H8 O2","O=C2Oc1ccc(cc1C=C2)C;Cc1ccc2OC(=O)C=Cc2c1;Cc1ccc2c(c1)C=CC(=O)O2","InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3","","2014-07-16","2015-05-01","6-methyl-2H-chromen-2-one","2015-05-06"],["OKT","2'-O-methyluridine-5'-phosphorothioate","C10 H15 N2 O8 P S","CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=O)NC2=O;COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)S)O","InChI=1S/C10H15N2O8PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1","","2020-03-19","2020-04-24","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid","2020-04-29"],["3AW","6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE","C4 H7 N5","n1c(nc(nc1C)N)N;Cc1nc(N)nc(N)n1;Cc1nc(nc(n1)N)N","InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)","ACETOGUANAMINE","2009-11-13","2020-06-17","6-methyl-1,3,5-triazine-2,4-diamine",""],["OKU","(1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione","C35 H36 N6 O5","CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2;Cc1cc(cc2c1n[nH]c2)CC3C(=O)N(CCOCCOCC=Cc4cc5c(nc4)NC(=O)C56Cc7ccc(cc7C6)C(=O)N3)C","InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35-/m1/s1","","2022-09-14","2022-12-02","(1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione","2022-12-07"],["OKV","1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one","C21 H22 F3 N3 O3 S","c2cc1N(C(=O)C)CCc1cc2S(N4CCN(c3cc(ccc3)C(F)(F)F)CC4)(=O)=O;CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F;CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F","InChI=1S/C21H22F3N3O3S/c1-15(28)27-8-7-16-13-19(5-6-20(16)27)31(29,30)26-11-9-25(10-12-26)18-4-2-3-17(14-18)21(22,23)24/h2-6,13-14H,7-12H2,1H3","","2019-06-27","2020-02-07","1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one","2020-02-12"],["3AX","1H-pyrazol-5-amine","C3 H5 N3","n1ccc(N)n1;Nc1[nH]ncc1;c1cn[nH]c1N","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","3-Aminopyrazole","2013-10-23","2020-06-17","1H-pyrazol-5-amine","2013-11-06"],["OKW","2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide","C16 H15 Cl N2 O","Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21;Clc1cccc(CC(=O)Nc2cncc3CCCc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCC3","InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20)","","2023-08-17","2023-11-03","2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide","2023-11-08"],["3AY","PYRIMIDINE-2,4,6-TRIAMINE","C4 H7 N5","n1c(N)cc(nc1N)N;Nc1cc(N)nc(N)n1;c1c(nc(nc1N)N)N","InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)","","2006-04-14","2011-06-04","pyrimidine-2,4,6-triamine",""],["OKX","[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","C21 H30 N10 O19 P4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(NC6=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)O)N","InChI=1S/C21H30N10O19P4/c22-15-9-16(25-3-24-15)30(4-26-9)19-13(34)11(32)7(47-19)2-46-54(43,44)49-14-12(33)8(1-45-51(36,37)6-52(38,39)50-53(40,41)42)48-20(14)31-5-27-10-17(31)28-21(23)29-18(10)35/h3-5,7-8,11-14,19-20,32-34H,1-2,6H2,(H,36,37)(H,38,39)(H,43,44)(H2,22,24,25)(H2,40,41,42)(H3,23,28,29,35)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2022-05-11","2023-05-05","[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","2023-05-10"],["3AZ","3-(aminomethyl)benzoic acid","C8 H9 N O2","O=C(O)c1cccc(c1)CN;NCc1cccc(c1)C(O)=O;c1cc(cc(c1)C(=O)O)CN","InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)","","2010-10-14","2024-09-27","3-(aminomethyl)benzoic acid",""],["3B0","5-(trifluoromethyl)pyridin-2-amine","C6 H5 F3 N2","FC(F)(F)c1cnc(N)cc1;Nc1ccc(cn1)C(F)(F)F;c1cc(ncc1C(F)(F)F)N","InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)","","2014-07-16","2015-05-01","5-(trifluoromethyl)pyridin-2-amine","2015-05-06"],["OKY","1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one","C21 H21 Cl F3 N3 O3 S","c2cc1N(C(C)=O)CCc1cc2S(N4CCN(c3cc(cc(c3)Cl)C(F)(F)F)CC4)(=O)=O;CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F;CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F","InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3","","2019-06-28","2020-02-07","1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one","2020-02-12"],["3B1","(2R)-morpholin-4-yl(phenyl)ethanenitrile","C12 H14 N2 O","N#CC(c1ccccc1)N2CCOCC2;N#C[CH](N1CCOCC1)c2ccccc2;c1ccc(cc1)C(C#N)N2CCOCC2","InChI=1S/C12H14N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-9H2/t12-/m0/s1","","2014-07-16","2015-05-15","(2R)-morpholin-4-yl(phenyl)ethanenitrile","2015-05-20"],["OKZ","4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide","C13 H14 N2 O4 S","CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O;CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O","InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3","","2020-03-19","2020-04-03","4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide","2020-04-08"],["3B2","(14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate","C23 H36 N5 O10 P S2","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CSCc1noc(c1)CSCc2noc(c2)C;Cc1onc(CSCc2onc(CSCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O)c2)c1;Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C23H36N5O10PS2/c1-15-8-16(27-37-15)10-40-12-18-9-17(28-38-18)11-41-13-20(30)25-7-6-24-19(29)4-5-26-22(32)21(31)23(2,3)14-36-39(33,34)35/h8-9,21,31H,4-7,10-14H2,1-3H3,(H,24,29)(H,25,30)(H,26,32)(H2,33,34,35)/t21-/m0/s1","","2014-07-16","2017-05-05","(14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate","2017-05-10"],["OL0","(1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione","C36 H38 N6 O5","CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2;Cc1cc(cc2c1n(nc2)C)CC3C(=O)N(CCOCCOCC=Cc4cc5c(nc4)NC(=O)C56Cc7ccc(cc7C6)C(=O)N3)C","InChI=1S/C36H38N6O5/c1-22-13-24(14-28-21-38-42(3)31(22)28)16-30-34(44)41(2)8-10-47-12-11-46-9-4-5-23-15-29-32(37-20-23)40-35(45)36(29)18-26-7-6-25(33(43)39-30)17-27(26)19-36/h4-7,13-15,17,20-21,30H,8-12,16,18-19H2,1-3H3,(H,39,43)(H,37,40,45)/b5-4+/t30-,36+/m1/s1","","2022-09-14","2022-12-02","(1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione","2022-12-07"],["3B3","(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL","C12 H14 N4 O3","[O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12;NC[CH](O)CNc1ccc(c2cccnc12)[N+]([O-])=O;c1cc2c(ccc(c2nc1)NCC(CN)O)[N+](=O)[O-]","InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1","","2006-03-09","2011-06-04","(2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol",""],["OL1","7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol","C21 H24 N2 O3","n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)cccc3;OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3;c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O","InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-16-19(26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2","","2009-05-19","2024-09-27","7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol",""],["OL2","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid","C22 H23 N3 O6","O=C(O)c1ccc(cc1OCC)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3;CCOc1cc(ccc1C(O)=O)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3;CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N","InChI=1S/C22H23N3O6/c1-5-31-16-8-12(6-7-14(16)22(26)27)19-21(23)24-11-15(25-19)13-9-17(28-2)20(30-4)18(10-13)29-3/h6-11H,5H2,1-4H3,(H2,23,24)(H,26,27)","","2010-07-07","2011-06-04","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid",""],["3B4","2-(cyclohexylamino)benzoic acid","C13 H17 N O2","O=C(O)c2c(NC1CCCCC1)cccc2;OC(=O)c1ccccc1NC2CCCCC2;c1ccc(c(c1)C(=O)O)NC2CCCCC2","InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)","","2007-11-06","2011-06-04","2-(cyclohexylamino)benzoic acid",""],["OL3","N-biotin-C-Co4(mu3-O)4(OAc)(Py)4(H2O)3-beta-alanine","C35 H45 Co4 N7 O13 S","O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)O[Co](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8.c9ccncc9;CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCCC8C9C(CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1","InChI=1S/C13H21N3O4S.4C5H5N.C2H4O2.4Co.3H2O.4O/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12;4*1-2-4-6-5-3-1;1-2(3)4;;;;;;;;;;;/h8-9,11-12H,1-7H2,(H,14,17)(H2,15,16,20);4*1-5H;2H,1H3;;;;;3*1H2;;;;/q-2;;;;;-2;+1;3*+2;;;;;;;/p-3/t8-,9-,12-;;;;;;;;;;;;;;;;/m0................/s1","","2017-09-20","2018-02-23","","2018-02-28"],["3B5","AIK-18/51","C30 H38 N9 O4 S","O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c4cc(NC(=O)c3cc(NC(=O)c2cccnc2)cn3C)cn4C;CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccnc4)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C;CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C","InChI=1S/C30H37N9O4S/c1-18(2)25-24(29(43)32-11-8-12-37(3)4)35-30(44-25)36-28(42)23-14-21(17-39(23)6)34-27(41)22-13-20(16-38(22)5)33-26(40)19-9-7-10-31-15-19/h7,9-10,13-18H,8,11-12H2,1-6H3,(H,32,43)(H,33,40)(H,34,41)(H,35,36,42)/p+1","N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-\n2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium","2014-07-17","2020-06-17","N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium","2014-07-30"],["3B6","(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide","C18 H14 I N3 O3","N#Cc1ccc(cc1I)NC(=O)C(O)(COc2ccc(C#N)cc2)C;C[C](O)(COc1ccc(cc1)C#N)C(=O)Nc2ccc(C#N)c(I)c2;CC(COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O","InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1","","2007-11-28","2011-06-04","(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide",""],["PEK","(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE","C43 H78 N O8 P","O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1","PHOSPHATIDYLETHANOLAMINE; 2-ARACHIDONOYL-1-STEAROYL-SN-GLYCEROL-3-PHOSPHOETHANOLAMINE","2003-12-02","2020-05-27","(1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate",""],["PEL","2-PHENYL-ETHANOL","C8 H10 O","OCCc1ccccc1;OCCc1ccccc1;c1ccc(cc1)CCO","InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2","","2000-06-13","2024-09-27","2-phenylethanol",""],["3B7","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","C36 H62 O31","O(C1C(O)C(O)C(C(O1)CO)O)C6C(C(OC(OC5C(C(OC(OC4C(C(OC(OC3C(C(OC(OC2C(C(OC(O)C2O)CO)O)C3O)CO)O)C4O)CO)O)C5O)CO)O)C6O)CO)O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH](O[CH]4[CH](O)[CH](CO)O[CH](O[CH]5[CH](O)[CH](CO)O[CH](O[CH]6[CH](O)[CH](O)O[CH](CO)[CH]6O)[CH]5O)[CH]4O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O","InChI=1S/C36H62O31/c37-1-7-13(43)19(49)20(50)32(58-7)64-27-15(45)9(3-39)60-34(22(27)52)66-29-17(47)11(5-41)62-36(24(29)54)67-30-18(48)12(6-42)61-35(25(30)55)65-28-16(46)10(4-40)59-33(23(28)53)63-26-14(44)8(2-38)57-31(56)21(26)51/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36+/m1/s1","","2014-07-17","2015-03-25","beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose","2015-03-18"],["3B8","2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide","C13 H8 F N3 O3","Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N;NC(=O)c1cc2C(=O)c3cc(F)ccc3Oc2nc1N;c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N","InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)","2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide","2007-11-20","2021-03-01","2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide",""],["PEM","2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID","C19 H20 Cl N O4","O=C(c1ccc(Cl)cc1)NCCc2ccc(OC(C(=O)O)(C)C)cc2;CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl","InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)","","2002-05-24","2011-06-04","2-[4-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)phenoxy]-2-methylpropanoic acid",""],["3B9","N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide","C24 H24 N6 O2","O=C(c2ccc(Oc1ccccc1)cc2)NCC(c3nc4nc(nc(c4cc3)N)N)(C)C;CC(C)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c3ccc4c(N)nc(N)nc4n3;CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N","InChI=1S/C24H24N6O2/c1-24(2,19-13-12-18-20(25)29-23(26)30-21(18)28-19)14-27-22(31)15-8-10-17(11-9-15)32-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,31)(H4,25,26,28,29,30)","","2007-11-20","2011-06-04","N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide",""],["PEO","HYDROGEN PEROXIDE","H2 O2","OO;OO;OO","InChI=1S/H2O2/c1-2/h1-2H","","1999-07-08","2024-09-27","hydrogen peroxide",""],["PEP","PHOSPHOENOLPYRUVATE","C3 H5 O6 P","O=C(O)C(OP(=O)(O)O)=C;OC(=O)C(=C)O[P](O)(O)=O;C=C(C(=O)O)OP(=O)(O)O","InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)","","1999-07-08","2024-09-27","2-(phosphonooxy)prop-2-enoic acid",""],["3BA","7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide","C17 H22 N8 O","O=C(N)c1cc2c(nc(nc2nc1N)C(C)(C)C)NCCc3ncnc3;CC(C)(C)c1nc(NCCc2c[nH]cn2)c3cc(C(N)=O)c(N)nc3n1;CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3","InChI=1S/C17H22N8O/c1-17(2,3)16-24-14(21-5-4-9-7-20-8-22-9)11-6-10(13(19)26)12(18)23-15(11)25-16/h6-8H,4-5H2,1-3H3,(H2,19,26)(H,20,22)(H3,18,21,23,24,25)","","2007-11-20","2011-06-04","7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide",""],["3BB","3-BROMOBUT-3-EN-1-OL","C4 H7 Br O","Br/C(=C)CCO;OCCC(Br)=C;C=C(CCO)Br","InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2","3-BROMO-3-BUTEN-1-OL","2004-11-03","2021-03-01","3-bromobut-3-en-1-ol",""],["PEQ","L-PHOSPHOLACTATE","C3 H7 O6 P","O=C(O)C(OP(=O)(O)O)C;C[CH](O[P](O)(O)=O)C(O)=O;CC(C(=O)O)OP(=O)(O)O","InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1","","2001-06-18","2011-06-04","(2S)-2-(phosphonooxy)propanoic acid",""],["3BC","TERT-BUTYL\n[(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1\n-OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE","C38 H56 N6 O8","O=C(N4C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CC2CC2)C3C(C)(C3C4)C)C(NC(=O)OC(C)(C)C)C(C)(C)C;CN(C)C(=O)[CH](NC(=O)CNC(=O)C(=O)[CH](CC1CC1)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)C3(C)C)c4ccccc4;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=O)NC(c4ccccc4)C(=O)N(C)C)C","InChI=1S/C38H56N6O8/c1-36(2,3)30(42-35(51)52-37(4,5)6)34(50)44-20-23-26(38(23,7)8)28(44)31(47)40-24(18-21-16-17-21)29(46)32(48)39-19-25(45)41-27(33(49)43(9)10)22-14-12-11-13-15-22/h11-15,21,23-24,26-28,30H,16-20H2,1-10H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t23-,24-,26-,27-,28-,30+/m0/s1","N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE","2006-01-20","2024-09-27","tert-butyl [(1S)-1-{[(1R,2S,5S)-2-({(1S)-1-(cyclopropylmethyl)-3-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-2,3-dioxopropyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl}-2,2-dimethylpropyl]carbamate",""],["PER","PEROXIDE ION","O2","[O-][O-];[O-][O-];[O-][O-]","InChI=1S/O2/c1-2/q-2","","1999-07-08","2011-06-04","dioxidanediide",""],["3BD","7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide","C20 H25 N9 O","O=C(N)c1cc4c(nc1N)nc(nc4N3CCN(c2ncccn2)CC3)C(C)(C)C;CC(C)(C)c1nc2nc(N)c(cc2c(n1)N3CCN(CC3)c4ncccn4)C(N)=O;CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4","InChI=1S/C20H25N9O/c1-20(2,3)18-26-16-13(11-12(15(22)30)14(21)25-16)17(27-18)28-7-9-29(10-8-28)19-23-5-4-6-24-19/h4-6,11H,7-10H2,1-3H3,(H2,22,30)(H2,21,25,26,27)","","2007-11-20","2011-06-04","7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide",""],["PET","1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE","C18 H22 N4 O3","O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(N)=N)cc1;[H]N=C(c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)N","InChI=1S/C18H22N4O3/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)","","1999-07-08","2011-06-04","4,4'-[oxybis(ethane-2,1-diyloxy)]dibenzenecarboximidamide",""],["3BE","3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","C14 H9 Br3 N2 O3","Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2cccc(Br)c2;Oc1c(Br)cc(C=NNC(=O)c2cccc(Br)c2)c(O)c1Br;c1cc(cc(c1)Br)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br","InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+","","2008-07-16","2011-06-04","3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",""],["PEU","2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL","C55 H112 O28","OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C55H112O28/c1-57-4-5-59-8-9-61-12-13-63-16-17-65-20-21-67-24-25-69-28-29-71-32-33-73-36-37-75-40-41-77-44-45-79-48-49-81-52-53-83-55-54-82-51-50-80-47-46-78-43-42-76-39-38-74-35-34-72-31-30-70-27-26-68-23-22-66-19-18-64-15-14-62-11-10-60-7-6-58-3-2-56/h56H,2-55H2,1H3","PEG 8000","2005-10-31","2021-03-01","2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol",""],["PEV","(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE","C39 H78 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN","InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1","PHOSPHATIDYLETHANOLAMINE; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","2006-07-06","2020-06-17","(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate",""],["3BF","thiazotropsin B","C25 H36 N9 O4 S","O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c3cc(NC(=O)c2nc(NC(=O)C)cn2C)cn3C;CC(C)c1sc(NC(=O)c2cc(NC(=O)c3nc(NC(C)=O)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C;CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C","InChI=1S/C25H35N9O4S/c1-14(2)20-19(23(37)26-9-8-10-32(4)5)30-25(39-20)31-22(36)17-11-16(12-33(17)6)28-24(38)21-29-18(13-34(21)7)27-15(3)35/h11-14H,8-10H2,1-7H3,(H,26,37)(H,27,35)(H,28,38)(H,30,31,36)/p+1","3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium","2014-07-17","2021-03-13","3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium","2014-07-30"],["PEW","(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE","C39 H76 Br2 N O8 P","BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br","InChI=1S/C39H76Br2NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(43)47-33-35(34-49-51(45,46)48-32-31-42)50-39(44)30-26-22-18-20-24-28-37(41)36(40)27-23-19-10-8-6-4-2/h35-37H,3-34,42H2,1-2H3,(H,45,46)/t35-,36+,37+/m1/s1","DIBROMINATED PHOSPHATIDYLETHANOLAMINE; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","2006-07-06","2020-06-17","(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate",""],["3BG","1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone","C27 H31 N7 O4","O=C(N5CCN(c4nc(NCc2nc1ccccc1n2)cc(Oc3cc(OC)c(OC)cc3C)n4)CC5)C;COc1cc(C)c(Oc2cc(NCc3[nH]c4ccccc4n3)nc(n2)N5CCN(CC5)C(C)=O)cc1OC;Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC","InChI=1S/C27H31N7O4/c1-17-13-22(36-3)23(37-4)14-21(17)38-26-15-24(28-16-25-29-19-7-5-6-8-20(19)30-25)31-27(32-26)34-11-9-33(10-12-34)18(2)35/h5-8,13-15H,9-12,16H2,1-4H3,(H,29,30)(H,28,31,32)","","2014-07-17","2015-07-24","1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone","2015-07-29"],["PEX","1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","C25 H49 N O8 P","O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCCCCCC","InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1","","2004-08-02","2024-09-27","2-aminoethyl (2R)-2,3-bis(decanoyloxy)propyl phosphate",""],["3BH","(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","C10 H14 N6 O4","n2c1c(ncnc1n(c2N)C3OC(C(O)C3O)CO)N;Nc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(c(n2)N)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1","8-aminoadenosine","2009-01-28","2021-03-01","8-aminoadenosine",""],["3BI","(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid","C25 H31 N8 O9 P","O=C(O)C(CCC(=O)O)CP(=O)(O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N;CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O;CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O","InChI=1S/C25H31N8O9P/c1-33(11-15-10-28-21-19(29-15)20(26)31-25(27)32-21)16-5-2-13(3-6-16)22(36)30-17(24(39)40)8-9-43(41,42)12-14(23(37)38)4-7-18(34)35/h2-3,5-6,10,14,17H,4,7-9,11-12H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H,39,40)(H,41,42)(H4,26,27,28,31,32)/t14-,17-/m1/s1","","2007-11-30","2011-06-04","(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid",""],["PEY","PHENANTHRENE","C14 H10","c3cc2ccc1ccccc1c2cc3;c1ccc2c(c1)ccc3ccccc23;c1ccc2c(c1)ccc3c2cccc3","InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H","","2006-07-12","2011-06-04","phenanthrene",""],["3BJ","N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine","C21 H20 Cl2 N8 O","Clc1ccc(c(Cl)c1)Nc2nc(nc(n2)NCc4nc3ccccc3n4)N5CCOCC5;Clc1ccc(Nc2nc(NCc3[nH]c4ccccc4n3)nc(n2)N5CCOCC5)c(Cl)c1;c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl","InChI=1S/C21H20Cl2N8O/c22-13-5-6-15(14(23)11-13)27-20-28-19(29-21(30-20)31-7-9-32-10-8-31)24-12-18-25-16-3-1-2-4-17(16)26-18/h1-6,11H,7-10,12H2,(H,25,26)(H2,24,27,28,29,30)","","2014-07-17","2015-07-24","N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine","2015-07-29"],["PEZ","2-(PHOSPHONOOXY)BUTANOIC ACID","C4 H9 O6 P","O=P(O)(O)OC(C(=O)O)CC;CC[CH](O[P](O)(O)=O)C(O)=O;CCC(C(=O)O)OP(=O)(O)O","InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1","","2003-05-19","2011-06-04","(2R)-2-(phosphonooxy)butanoic acid",""],["PF","PROFLAVINE","C13 H12 N3","c3(ccc2cc1ccc(N)cc1[nH+]c2c3)N;Nc1ccc2cc3ccc(N)cc3[nH+]c2c1;c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N","InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1/fC13H12N3/h16H/q+1","","1999-07-08","2009-01-23","3,6-diaminoacridinium",""],["3BK","(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","C17 H18 Cl2 N6 O4","Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)CO)N;Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(NCc4ccc(Cl)c(Cl)c4)nc12;c1cc(c(cc1CNc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N)Cl)Cl","InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1","8-[(3,4-dichlorobenzyl)amino]adenosine","2009-01-28","2020-06-17","8-[(3,4-dichlorobenzyl)amino]adenosine",""],["3BL","(2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","C29 H34 N4 O2","O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5;O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC[CH]3CN2C(=O)c4ccc(cc4)c5ccccc5;c1ccc(cc1)c2ccc(cc2)C(=O)N3CC4CCCCC4CC3CNC(Cc5cnc[nH]5)C=O","InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27+,28+/m1/s1","","2014-07-18","2024-09-27","(2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal","2015-02-18"],["PF0","3-hydroxy-2-methylbenzoic acid","C8 H8 O3","O=C(O)c1cccc(O)c1C;Cc1c(O)cccc1C(O)=O;Cc1c(cccc1O)C(=O)O","InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)","","2010-11-11","2012-01-13","3-hydroxy-2-methylbenzoic acid",""],["3BM","2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide","C16 H14 Cl F2 I N2 O4","Clc2cc(I)ccc2Nc1c(C(=O)NOCC(O)CO)ccc(F)c1F;OC[CH](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2Cl;c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOCC(CO)O","InChI=1S/C16H14ClF2IN2O4/c17-11-5-8(20)1-4-13(11)21-15-10(2-3-12(18)14(15)19)16(25)22-26-7-9(24)6-23/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1","","2008-10-09","2011-06-04","2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide",""],["PF1","N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE","C9 H14 N4 O2","O=CN(Cc1cnc(nc1N)C)CCO;Cc1ncc(CN(CCO)C=O)c(N)n1;Cc1ncc(c(n1)N)CN(CCO)C=O","InChI=1S/C9H14N4O2/c1-7-11-4-8(9(10)12-7)5-13(6-15)2-3-14/h4,6,14H,2-3,5H2,1H3,(H2,10,11,12)","","2007-07-11","2011-06-04","N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(2-hydroxyethyl)formamide",""],["PF2","2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine","C17 H24 F2 N6 O","FC4(F)CCN(C(=O)C3NCC(N2CCN(c1ncccn1)CC2)C3)C4;FC1(F)CCN(C1)C(=O)[CH]2C[CH](CN2)N3CCN(CC3)c4ncccn4;c1cnc(nc1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCC(C4)(F)F","InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1","","2008-11-19","2011-06-04","2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine",""],["3BN","3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE","C29 H33 N3 O5 S","O=S(=O)(N(c2cc(C(=O)c1ccccc1)cc(c2)C(=O)NC(C(O)CNC3CC3)Cc4ccccc4)C)C;CN(c1cc(cc(c1)C(=O)c2ccccc2)C(=O)N[CH](Cc3ccccc3)[CH](O)CNC4CC4)[S](C)(=O)=O;CN(c1cc(cc(c1)C(=O)NC(Cc2ccccc2)C(CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C","InChI=1S/C29H33N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-27,30,33H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1","","2005-10-12","2011-06-04","N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-3-[methyl(methylsulfonyl)amino]-5-(phenylcarbonyl)benzamide",""],["3BO","1H-indol-3-ylacetonitrile","C10 H8 N2","N#CCc2c1ccccc1nc2;N#CCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC#N","InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2","","2014-07-18","2019-02-01","1H-indol-3-ylacetonitrile","2019-02-06"],["PF3","(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID","C25 H20 N2 O3 S","O=C(O)CC(c1ccccc1)NC(=O)c4scc(c3ccc(c2ccncc2)cc3)c4;OC(=O)C[CH](NC(=O)c1scc(c1)c2ccc(cc2)c3ccncc3)c4ccccc4;c1ccc(cc1)C(CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4","InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1","PF-00356231; 3-PHENYL-3-({[4-(4-PYRIDIN-4-YLPHENYL)THIEN-2-YL]CARBONYL}AMINO)PROPANOIC ACID","2003-12-12","2020-06-17","(3R)-3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonyl}amino)propanoic acid",""],["3BP","2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)","C30 H36 N6 O5 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)Cc3ccc(c2ccccc2)cc3)CC;CC[S](=O)(=O)N[CH](Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](CCC(N)=O)C(=O)NCc3ccc(cc3)C(N)=N;CCS(=O)(=O)NC(Cc1ccc(cc1)c2ccccc2)C(=O)NC(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1","","2004-11-29","2011-06-04","(2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name)",""],["PF4","4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole","C21 H18 N2 O2 S","n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)cc4;COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3)c4sccc4;COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC","InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)","","2009-06-09","2011-06-04","4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole",""],["PF5","2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE","C9 H6 F5 N O2","Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N;N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O;C(c1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N","InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1","FLUORINATED PHENYLALANINE","2006-09-12","2024-09-27","2,3,4,5,6-pentafluoro-L-phenylalanine",""],["3BQ","1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea","C19 H26 N4 O","O=C(NCCC1(CN)CCCCC1)Nc2ccc3c(c2)ccnc3;NCC1(CCCCC1)CCNC(=O)Nc2ccc3cnccc3c2;c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN","InChI=1S/C19H26N4O/c20-14-19(7-2-1-3-8-19)9-11-22-18(24)23-17-5-4-16-13-21-10-6-15(16)12-17/h4-6,10,12-13H,1-3,7-9,11,14,20H2,(H2,22,23,24)","","2014-07-22","2014-09-12","1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea","2014-09-17"],["3BR","1-BROMOPROPANE","C3 H7 Br","BrCCC;CCCBr;CCCBr","InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3","","2004-11-01","2011-06-04","1-bromopropane",""],["PF6","2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline","C25 H20 N4 O","n1c5c(ccc1COc4ccc(c2nncc2Cc3ccncc3)cc4)cccc5;C(Oc1ccc(cc1)c2n[nH]cc2Cc3ccncc3)c4ccc5ccccc5n4;c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5","InChI=1S/C25H20N4O/c1-2-4-24-19(3-1)5-8-22(28-24)17-30-23-9-6-20(7-10-23)25-21(16-27-29-25)15-18-11-13-26-14-12-18/h1-14,16H,15,17H2,(H,27,29)","","2009-06-09","2011-06-04","2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline",""],["PF7","4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid","C16 H18 N2 O2","O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3;OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2;c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O","InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)","","2008-07-22","2024-09-27","4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid",""],["3BS","3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide","C16 H25 Cl N4 O3 S2","O=S(=O)(N)c1ccc(c(Cl)c1)NC(=S)NC2CC(N(O)C(C)(C)C2)(C)C;CC1(C)CC(CC(C)(C)N1O)NC(=S)Nc2ccc(cc2Cl)[S](N)(=O)=O;CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C","InChI=1S/C16H25ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10,22H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)","(4-{[(2-chloro-4-sulfamoylphenyl)carbamothioyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl","2008-09-12","2020-06-17","3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide",""],["3BT","2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA","C12 H18 N4 S2","S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N;NC(=N)SCCc1cccc(CCSC(N)=N)c1;[H]N=C(N)SCCc1cccc(c1)CCSC(=N)N","InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)","S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA","1999-09-23","2020-06-17","benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate)",""],["PF8","2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline","C24 H18 N4 O","n5ccc(c1c(nnc1)c4ccc(OCc2nc3c(cc2)cccc3)cc4)cc5;C(Oc1ccc(cc1)c2n[nH]cc2c3ccncc3)c4ccc5ccccc5n4;c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5","InChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28)","","2009-06-09","2011-06-04","2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline",""],["PF9","2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline","C25 H20 N4 O","n1c5c(ccc1COc4ccc(c3nn(cc3c2ccncc2)C)cc4)cccc5;Cn1cc(c2ccncc2)c(n1)c3ccc(OCc4ccc5ccccc5n4)cc3;Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5","InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3","","2009-06-09","2011-06-04","2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline",""],["3BU","L-allose","C6 H12 O6","O=CC(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C(C=O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1","","2014-07-23","2020-06-24","L-allose","2015-04-29"],["PFA","[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL","C20 H21 N3 O4","O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2)C)C)C(=O)N3;CC(C)c1cc(Oc2c(C)cc(cc2C)N3N=CC(=O)NC3=O)ccc1O;Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3","InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26)","2-[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-2H-[1,2,4]TRIAZINE-3,5-DIONE","2002-11-18","2021-03-13","2-{4-[4-hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl}-1,2,4-triazine-3,5(2H,4H)-dione",""],["3BV","N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide","C40 H61 N5 O7","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)C(C)CO)Cc1ccccc1)CC(C)C)CCc2ccccc2)CN3CCOCC3;CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[CH](O)[CH](C)CO;CC(C)CC(C(C(C)CO)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCc2ccccc2)NC(=O)CN3CCOCC3","InChI=1S/C40H61N5O7/c1-27(2)22-33(37(48)29(5)26-46)42-40(51)35(24-31-14-10-7-11-15-31)44-39(50)34(23-28(3)4)43-38(49)32(17-16-30-12-8-6-9-13-30)41-36(47)25-45-18-20-52-21-19-45/h6-15,27-29,32-35,37,46,48H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t29-,32+,33+,34+,35+,37+/m1/s1","CARFILZOMIB, bound form","2014-07-23","2024-09-27","N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide","2015-02-04"],["3BW","4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide","C19 H20 Cl N O4 S","Clc3ccc(Oc2ccc(SCC1(C(=O)NO)CCOCC1)cc2)cc3;ONC(=O)C1(CCOCC1)CSc2ccc(Oc3ccc(Cl)cc3)cc2;c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO","InChI=1S/C19H20ClNO4S/c20-14-1-3-15(4-2-14)25-16-5-7-17(8-6-16)26-13-19(18(22)21-23)9-11-24-12-10-19/h1-8,23H,9-13H2,(H,21,22)","","2014-07-21","2014-09-26","4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide","2014-10-01"],["PFB","2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL","C7 H3 F5 O","Fc1c(c(F)c(F)c(F)c1F)CO;OCc1c(F)c(F)c(F)c(F)c1F;C(c1c(c(c(c(c1F)F)F)F)F)O","InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2","","1999-07-08","2011-06-04","(pentafluorophenyl)methanol",""],["3BX","N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide","C26 H30 N2 O5","O=C(NO)C1(CCOCC1)COc4ccc(C#Cc2ccc(cc2)CN3CCOCC3)cc4;ONC(=O)C1(CCOCC1)COc2ccc(cc2)C#Cc3ccc(CN4CCOCC4)cc3;c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO","InChI=1S/C26H30N2O5/c29-25(27-30)26(11-15-31-16-12-26)20-33-24-9-7-22(8-10-24)2-1-21-3-5-23(6-4-21)19-28-13-17-32-18-14-28/h3-10,30H,11-20H2,(H,27,29)","","2014-07-21","2014-09-26","N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide","2014-10-01"],["PFC","PHENYLFERRICROCIN-IRON","C34 H48 Fe N9 O12","CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4)C(=O)C)C(=O)C;CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C","InChI=1S/C34H48N9O12.Fe/c1-21(44)41(53)15-7-12-25-31(49)35-20-30(48)38-28(18-24-10-5-4-6-11-24)32(50)36-19-29(47)37-26(13-8-16-42(54)22(2)45)33(51)40-27(34(52)39-25)14-9-17-43(55)23(3)46;/h4-6,10-11,25-28H,7-9,12-20H2,1-3H3,(H,35,49)(H,36,50)(H,37,47)(H,38,48)(H,39,52)(H,40,51);/q-3;+3/t25-,26-,27-,28+;/m0./s1","","1999-07-12","2023-09-23","",""],["PFD","5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE","C20 H19 F N2 O6","O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)cc2)CCOCC;CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O;CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F","InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)","","2005-02-07","2011-06-04","5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1H,3H,5H)-trione",""],["3BY","1-methyl-L-proline","C6 H11 N O2","O=C(O)C1CCCN1C;CN1CCC[CH]1C(O)=O;CN1CCCC1C(=O)O","InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1","","2014-07-23","2024-09-27","1-methyl-L-proline","2015-07-15"],["3BZ","3-chlorobenzoate","C7 H5 Cl O2","O=C(O)c1cc(Cl)ccc1;OC(=O)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(=O)O","InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)","","2007-10-29","2011-06-04","3-chlorobenzoic acid",""],["PFE","{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL","C22 H22 N4 O3 S","OCc4nc(c3cc(Nc2ncnc1c2cc(OCC)c(OCC)c1)ccc3)cs4;CCOc1cc2ncnc(Nc3cccc(c3)c4csc(CO)n4)c2cc1OCC;CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO","InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)","","2002-04-19","2011-06-04","(4-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazol-2-yl)methanol",""],["3C0","N-methyl scopolamine","C18 H24 N O4","O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO;C[N+]1(C)[CH]2CC(C[CH]1[CH]3O[CH]23)OC(=O)[CH](CO)c4ccccc4;C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4)C","InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1","(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane","2014-07-23","2020-06-17","(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane","2014-11-26"],["PFF","4-FLUORO-L-PHENYLALANINE","C9 H10 F N O2","Fc1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(F)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)F","InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2003-07-30","2024-09-27","4-fluoro-L-phenylalanine",""],["PFG","10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID","C39 H44 N8 O15","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O;NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)ccc2N1;C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C39H44N8O15/c1-2-17-47(19-20-3-8-24-23(18-20)34(54)46-39(40)45-24)22-6-4-21(5-7-22)33(53)44-28(38(61)62)11-15-31(50)42-26(36(57)58)9-13-29(48)41-25(35(55)56)10-14-30(49)43-27(37(59)60)12-16-32(51)52/h1,3-8,18,25-28H,9-17,19H2,(H,41,48)(H,42,50)(H,43,49)(H,44,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H3,40,45,46,54)/t25-,26-,27?,28-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid",""],["3C1","4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","C8 H11 N3 O2 S","O=S2(=O)c1cnccc1N(CN2)CC;CCN1CN[S](=O)(=O)c2cnccc12;CCN1CNS(=O)(=O)c2c1ccnc2","InChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-5-9-4-3-7(8)11/h3-5,10H,2,6H2,1H3","","2014-07-25","2014-11-14","4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","2014-11-19"],["PFH","6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE","C24 H23 N3 O3","n1cnc(c2cc(OC)c(OC)cc12)N5CCC(Oc4cc3ccccc3cc4)C5;COc1cc2ncnc(N3CC[CH](C3)Oc4ccc5ccccc5c4)c2cc1OC;COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4ccc5ccccc5c4","InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1","","2007-02-21","2011-06-04","6,7-dimethoxy-4-[(3R)-3-(naphthalen-2-yloxy)pyrrolidin-1-yl]quinazoline",""],["3C2","4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide","C8 H11 N3 O2 S","O=S2(=O)c1ncccc1N(CN2)CC;CCN1CN[S](=O)(=O)c2ncccc12;CCN1CNS(=O)(=O)c2c1cccn2","InChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-7(11)4-3-5-9-8/h3-5,10H,2,6H2,1H3","","2014-07-25","2014-11-14","4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide","2014-11-19"],["PFI","(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE","C21 H27 F O4","Fc1c(OC(C)C)ccc(c1)CCC2(OC(=O)C=C(O)C2)C3CCCC3;CC(C)Oc1ccc(CC[C]2(CC(=CC(=O)O2)O)C3CCCC3)cc1F;CC(C)Oc1ccc(cc1F)CCC2(CC(=CC(=O)O2)O)C3CCCC3","InChI=1S/C21H27FO4/c1-14(2)25-19-8-7-15(11-18(19)22)9-10-21(16-5-3-4-6-16)13-17(23)12-20(24)26-21/h7-8,11-12,14,16,23H,3-6,9-10,13H2,1-2H3/t21-/m0/s1","","2006-06-14","2011-06-04","(6S)-6-cyclopentyl-6-{2-[3-fluoro-4-(1-methylethoxy)phenyl]ethyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one",""],["3C3","4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE)","C9 H15 N9 O2","n1n(c(nc1C=2NONC=2N)C3=C(N)NON3)CCC;CCCn1nc(nc1C2=C(N)NON2)C3=C(N)NON3;CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N","InChI=1S/C9H15N9O2/c1-2-3-18-9(5-7(11)17-20-15-5)12-8(13-18)4-6(10)16-19-14-4/h14-17H,2-3,10-11H2,1H3","","2006-03-09","2011-06-04","4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)",""],["3C4","(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID","C8 H7 Cl O3","Clc1cc(ccc1O)CC(=O)O;OC(=O)Cc1ccc(O)c(Cl)c1;c1cc(c(cc1CC(=O)O)Cl)O","InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)","","2006-06-02","2011-06-04","(3-chloro-4-hydroxyphenyl)acetic acid",""],["PFJ","6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE","C22 H21 N5 O3","n1cnc(c2cc(OC)c(OC)cc12)N5CCC(Oc3nc4c(nc3)cccc4)C5;COc1cc2ncnc(N3CC[CH](C3)Oc4cnc5ccccc5n4)c2cc1OC;COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4cnc5ccccc5n4","InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1","","2007-02-21","2011-06-04","6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline",""],["3C5","N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine","C13 H14 N2","n2cccc(c1cc(ccc1)CNC)c2;CNCc1cccc(c1)c2cccnc2;CNCc1cccc(c1)c2cccnc2","InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3","","2014-07-25","2015-05-01","N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine","2015-05-06"],["PFK","6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline","C20 H17 N3 O2","n4c3c(cc(OC)c(OCCc1nc2c(cc1)cccc2)c3)cnc4;COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3;COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3","InChI=1S/C20H17N3O2/c1-24-19-10-15-12-21-13-22-18(15)11-20(19)25-9-8-16-7-6-14-4-2-3-5-17(14)23-16/h2-7,10-13H,8-9H2,1H3","","2011-02-15","2011-06-10","6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline",""],["3C6","N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide","C18 H22 N4 O2","O=C(N)C(NC(=O)c2ccc(c1cccnc1)cc2)CCCCN;NCCCC[CH](NC(=O)c1ccc(cc1)c2cccnc2)C(N)=O;c1cc(cnc1)c2ccc(cc2)C(=O)NC(CCCCN)C(=O)N","InChI=1S/C18H22N4O2/c19-10-2-1-5-16(17(20)23)22-18(24)14-8-6-13(7-9-14)15-4-3-11-21-12-15/h3-4,6-9,11-12,16H,1-2,5,10,19H2,(H2,20,23)(H,22,24)/t16-/m0/s1","","2014-07-25","2015-05-08","N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide","2015-05-13"],["PFL","2,6-BIS(1-METHYLETHYL)PHENOL","C12 H18 O","Oc1c(cccc1C(C)C)C(C)C;CC(C)c1cccc(C(C)C)c1O;CC(C)c1cccc(c1O)C(C)C","InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","2,6-DIISOPROPYLPHENOL; PROPOFOL","2000-08-29","2020-06-17","2,6-bis(1-methylethyl)phenol",""],["3C7","(3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","C7 H11 N O2 S3","O=C(O)C1N2C(SCC2SC1)CS;OC(=O)[CH]1CS[CH]2CS[CH](CS)N12;C1C(N2C(S1)CSC2CS)C(=O)O","InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1","","2014-07-25","2014-09-05","(3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","2014-08-20"],["PFM","1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE","C14 H19 N2 O8 P","O=C(O)C(N)C/C=C(O)/C=C/c1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=CC(O)=CC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=CCC(C(=O)O)N)O)O","InChI=1S/C14H19N2O8P/c1-8-13(18)11(9(6-16-8)7-24-25(21,22)23)4-2-10(17)3-5-12(15)14(19)20/h2-4,6,12,17-18H,5,7,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,10-3-/t12-/m0/s1","PYRIDOXYLIDENE-PROPEN-1-YL-3-ALANINE-5-PHOSPHATE","1999-07-08","2020-06-17","(2S,4Z,6E)-2-amino-5-hydroxy-7-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hepta-4,6-dienoic acid",""],["3C8","6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine","C16 H19 N7","n1c(c(cn1)C)C4CN(c3nc2c(ncnc2N)cc3)CCC4;Cc1c[nH]nc1[CH]2CCCN(C2)c3ccc4ncnc(N)c4n3;Cc1c[nH]nc1C2CCCN(C2)c3ccc4c(n3)c(ncn4)N","InChI=1S/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)/t11-/m0/s1","","2014-07-25","2015-12-31","6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine","2016-01-05"],["PFN","FENOPROFEN","C15 H14 O3","O=C(O)C(c2cc(Oc1ccccc1)ccc2)C;C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1;CC(c1cccc(c1)Oc2ccccc2)C(=O)O","InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1","(2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID","2010-02-26","2020-06-17","(2R)-2-(3-phenoxyphenyl)propanoic acid",""],["3C9","1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea","C16 H24 N6 O3 S","O=S(=O)(N3CCCC(NC(=O)Nc1nc2c(nc1)ncc2)C3)CC(C)C;CC(C)C[S](=O)(=O)N1CCC[CH](C1)NC(=O)Nc2cnc3[nH]ccc3n2;CC(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3","InChI=1S/C16H24N6O3S/c1-11(2)10-26(24,25)22-7-3-4-12(9-22)19-16(23)21-14-8-18-15-13(20-14)5-6-17-15/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,17,18)(H2,19,20,21,23)/t12-/m0/s1","","2014-07-26","2015-05-22","1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea","2015-05-27"],["PFO","4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine","C22 H22 F N7 O","Fc1ccc(cc1)c3ncn(c3c2nc(ncc2)N)C5CCN(Cc4nocc4)CC5;Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCN(CC4)Cc5ccon5;c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F","InChI=1S/C22H22FN7O/c23-16-3-1-15(2-4-16)20-21(19-5-9-25-22(24)27-19)30(14-26-20)18-6-10-29(11-7-18)13-17-8-12-31-28-17/h1-5,8-9,12,14,18H,6-7,10-11,13H2,(H2,24,25,27)","","2014-06-18","2015-08-07","4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine","2015-08-12"],["3CA","2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID","C13 H8 Cl2 O3","Clc2cc(Cl)ccc2c1ccc(O)c(C(=O)O)c1;OC(=O)c1cc(ccc1O)c2ccc(Cl)cc2Cl;c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O","InChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)","","2005-10-04","2011-06-04","2',4'-dichloro-4-hydroxybiphenyl-3-carboxylic acid",""],["PFP","2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL","C22 H21 N3 O4","n1c(c2c(nc1)oc(c2c3ccc(OC)cc3)c4ccc(OC)cc4)NCCO;COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4ccc(OC)cc4;COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO","InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)","","2005-04-29","2011-06-04","2-{[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}ethanol",""],["PFQ","2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL","C20 H17 N3 O2","n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO;OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12;c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO","InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)","","2005-05-04","2011-06-04","2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol",""],["3CB","N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE","C27 H37 N7 O6 S","O=C(O)c1cc(ccc1)CS(=O)(=O)NC(C(=O)NC(C(=O)NCc2ccc(cc2)C(=[N@H])N)CCC(=[N@H])N)C(C)CC;CC[CH](C)[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[CH](CCC(N)=N)C(=O)NCc2ccc(cc2)C(N)=N;CCC(C)C(C(=O)NC(CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O","InChI=1S/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1","3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID","2004-11-24","2021-03-01","N-[(3-carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide",""],["3CC","N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide","C17 H26 N2 O3 S","O=S(=O)(c1ccc2c(c1)CC(NC(=O)C(CCC)CCC)C2)N;CCCC(CCC)C(=O)N[CH]1Cc2ccc(cc2C1)[S](N)(=O)=O;CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(=O)(=O)N","InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1","","2007-09-04","2011-06-04","2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide",""],["PFR","7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline","C27 H28 N4 O2","n1cnc5c(c1N3CCCC(c2ccccc2)C3)cc(OCCc4ncccc4)c(OC)c5;COc1cc2ncnc(N3CCC[CH](C3)c4ccccc4)c2cc1OCCc5ccccn5;COc1cc2c(cc1OCCc3ccccn3)c(ncn2)N4CCCC(C4)c5ccccc5","InChI=1S/C27H28N4O2/c1-32-25-17-24-23(16-26(25)33-15-12-22-11-5-6-13-28-22)27(30-19-29-24)31-14-7-10-21(18-31)20-8-3-2-4-9-20/h2-6,8-9,11,13,16-17,19,21H,7,10,12,14-15,18H2,1H3/t21-/m1/s1","","2011-02-15","2011-06-10","7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline",""],["PFS","(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate","C26 H54 N O7 P","[O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCOC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O;CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C","InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1","PLATELET ACTIVATING FACTOR","2004-07-15","2020-06-17","(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate",""],["3CD","3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE","C22 H28 Cl N6 O14 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl","InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1","3-CAPAD","2010-02-10","2025-07-15","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["PFT","4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol","C15 H13 N O3","O=C(c1ccc(O)cc1O)N3Cc2ccccc2C3;Oc1ccc(c(O)c1)C(=O)N2Cc3ccccc3C2;c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O","InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2","","2009-10-22","2011-06-04","1,3-dihydro-2H-isoindol-2-yl(2,4-dihydroxyphenyl)methanone",""],["3CE","3-chlorobenzene-1,2-diol","C6 H5 Cl O2","Clc1cccc(O)c1O;Oc1cccc(Cl)c1O;c1cc(c(c(c1)Cl)O)O","InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H","","2009-07-09","2011-06-04","3-chlorobenzene-1,2-diol",""],["3CF","3-cyano-L-phenylalanine","C10 H10 N2 O2","O=C(O)C(N)Cc1cccc(C#N)c1;N[CH](Cc1cccc(c1)C#N)C(O)=O;c1cc(cc(c1)C#N)CC(C(=O)O)N","InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1","","2010-09-07","2024-09-27","3-cyano-L-phenylalanine",""],["PFU","(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol","C9 H14 N3 O9 P","O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C(O)C2O;NC(=O)c1[nH]nc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1O;C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O","InChI=1S/C9H14N3O9P/c10-9(16)4-6(14)3(11-12-4)8-7(15)5(13)2(21-8)1-20-22(17,18)19/h2,5,7-8,13-15H,1H2,(H2,10,16)(H,11,12)(H2,17,18,19)/t2-,5-,7-,8+/m1/s1","Pyrazofurin Monophosphate","2010-04-13","2020-06-17","(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol",""],["3CG","(2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid","C9 H9 O5 Sb","O=C(O)C=C/c1cc(ccc1)[Sb](=O)(O)O;OC(=O)C=Cc1cccc(c1)[Sb](O)(O)=O;c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O","InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6-;;;;","","2014-07-29","2014-09-05","(2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid","2014-08-06"],["PFV","(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid","C20 H26 N8 O12 S2","O=C1C=C(N(O)C=C1O)CNC(=O)NCC(NS(=O)(=O)O)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c2nc(sc2)N;CC(C)(ON=C(C(=O)N[CH](C=O)[CH](CNC(=O)NCC1=CC(=O)C(=CN1O)O)N[S](O)(=O)=O)c2csc(N)n2)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C(CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O","InChI=1S/C20H26N8O12S2/c1-20(2,17(33)34)40-26-15(12-8-41-18(21)25-12)16(32)24-11(7-29)10(27-42(37,38)39)5-23-19(35)22-4-9-3-13(30)14(31)6-28(9)36/h3,6-8,10-11,27,31,36H,4-5H2,1-2H3,(H2,21,25)(H,24,32)(H,33,34)(H2,22,23,35)(H,37,38,39)/b26-15-/t10-,11-/m1/s1","","2013-07-23","2024-09-27","(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid","2013-08-21"],["3CH","3-CHLOROPHENOL","C6 H5 Cl O","Clc1cc(O)ccc1;Oc1cccc(Cl)c1;c1cc(cc(c1)Cl)O","InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H","","2002-04-18","2011-06-04","3-chlorophenol",""],["PFW","7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline","C31 H30 N4 O2","n1cnc6c(c1N3CCCC(c2ccccc2)C3)cc(OCCc4nc5c(cc4)cccc5)c(OC)c6;COc1cc2ncnc(N3CCC[CH](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5;COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)N5CCCC(C5)c6ccccc6","InChI=1S/C31H30N4O2/c1-36-29-19-28-26(18-30(29)37-17-15-25-14-13-23-10-5-6-12-27(23)34-25)31(33-21-32-28)35-16-7-11-24(20-35)22-8-3-2-4-9-22/h2-6,8-10,12-14,18-19,21,24H,7,11,15-17,20H2,1H3/t24-/m1/s1","","2011-02-15","2011-06-10","7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline",""],["3CI","1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide","C28 H28 N6 O2","CC(C)C(=O)Nc1nn2ccc(cc2n1)c3ccc4n(C)cc(C(=O)N[CH](C)c5ccccc5)c4c3;CC(C)C(=O)Nc1nc2cc(ccn2n1)c3ccc4c(c3)c(cn4C)C(=O)NC(C)c5ccccc5","InChI=1S/C28H28N6O2/c1-17(2)26(35)31-28-30-25-15-21(12-13-34(25)32-28)20-10-11-24-22(14-20)23(16-33(24)4)27(36)29-18(3)19-8-6-5-7-9-19/h5-18H,1-4H3,(H,29,36)(H,31,32,35)/t18-/m0/s1","","2021-07-12","2023-04-14","1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-~{N}-[(1~{S})-1-phenylethyl]indole-3-carboxamide","2023-04-19"],["PFX","2-[2-(2-azanylethoxy)ethoxy]ethanoic acid","C6 H13 N O4","NCCOCCOCC(O)=O;C(COCCOCC(=O)O)N","InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)","","2008-10-17","2024-09-27","2-[2-(2-azanylethoxy)ethoxy]ethanoic acid",""],["PFY","(3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE","C32 H34 Cl2 N4 O4 S","Clc1cccc(Cl)c1CS(=O)(=O)c2ccc3c(c2)/C(C(=O)N3)=C/c4c(c(c(n4)C)C(=O)N5CCCC5CN6CCCC6)C;Cc1[nH]c(C=C2C(=O)Nc3ccc(cc23)[S](=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[CH]5CN6CCCC6;Cc1c([nH]c(c1C(=O)N2CCCC2CN3CCCC3)C)C=C4c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl","InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m0/s1","","2009-06-15","2011-06-04","(3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["3CJ","6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one","C7 H10 N2 O S","S=C1NC(=CC(=O)N1)CCC;CCCC1=CC(=O)NC(=S)N1;CCCC1=CC(=O)NC(=S)N1","InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)","","2014-07-28","2014-08-15","6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one","2014-08-20"],["3CK","beta-D-tagatofuranosyl alpha-D-glucopyranoside","C12 H22 O11","O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO;OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11-,12+/m1/s1","","2014-07-28","2020-04-08","beta-D-tagatofuranosyl alpha-D-glucopyranoside","2014-08-06"],["PFZ","1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE","C17 H22 Cl2 N2 O","Clc1ccc(c(Cl)c1)C(O)(CCCCCC)Cn2ccnc2;CCCCCC[C](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl;CCCCCCC(Cn1ccnc1)(c2ccc(cc2Cl)Cl)O","InChI=1S/C17H22Cl2N2O/c1-2-3-4-5-8-17(22,12-21-10-9-20-13-21)15-7-6-14(18)11-16(15)19/h6-7,9-11,13,22H,2-5,8,12H2,1H3/t17-/m0/s1","","1999-07-08","2011-06-04","(2R)-2-(2,4-dichlorophenyl)-1-(1H-imidazol-1-yl)octan-2-ol",""],["3CL","3-CHLOROPROPANOL","C3 H7 Cl O","ClCCCO;OCCCCl;C(CO)CCl","InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2","","2004-11-03","2011-06-04","3-chloropropan-1-ol",""],["PG0","2-(2-METHOXYETHOXY)ETHANOL","C5 H12 O3","OCCOCCOC;COCCOCCO;COCCOCCO","InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3","PEG 6000","2005-06-02","2020-06-17","2-(2-methoxyethoxy)ethanol",""],["3CM","3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE","C21 H38 O11","O(CCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C21H38O11/c22-9-12-14(24)15(25)17(27)21(30-12)32-19-13(10-23)31-20(18(28)16(19)26)29-8-4-7-11-5-2-1-3-6-11/h11-28H,1-10H2/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1","CYMAL-3","2006-08-09","2021-03-01","3-cyclohexylpropyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["PG1","PENICILLIN G ACYL-SERINE","C19 H23 N3 O7 S","O=C(NC(C(=O)OCC(C([O-])=O)N)C1SC(C(N1)C([O-])=O)(C)C)Cc2ccccc2;CC1(C)S[CH](N[CH]1C([O-])=O)[CH](NC(=O)Cc2ccccc2)C(=O)OC[CH](N)C([O-])=O;CC1(C(NC(S1)C(C(=O)OCC(C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C","InChI=1S/C19H25N3O7S/c1-19(2)14(17(26)27)22-15(30-19)13(18(28)29-9-11(20)16(24)25)21-12(23)8-10-6-4-3-5-7-10/h3-7,11,13-15,22H,8-9,20H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/p-2/t11-,13-,14-,15+/m0/s1","","2002-10-07","2021-10-28","(2R,4S)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylate",""],["PG2","PROSTAGLANDIN D2","C20 H32 O5","O=C1CC(O)C(CC=C/CCCC(=O)O)C1/C=C/C(O)CCCCC;CCCCC[CH](O)C=C[CH]1[CH](CC=CCCCC(O)=O)[CH](O)CC1=O;CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O","InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1","(5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID","2004-01-06","2020-06-17","(5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid",""],["3CN","3-AMINOPROPANE","C3 H9 N","NCCC;CCCN;CCCN","InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3","","1999-11-01","2025-02-19","propan-1-amine",""],["3CO","COBALT (III) ION","Co","[Co+3];[Co+3];[Co+3]","InChI=1S/Co/q+3","","1999-07-08","2011-06-04","cobalt(3+)",""],["PG3","GUANIDINE-3-PROPANOL","C4 H12 N3 O","OCCCNC(=[NH2+])N;NC(=[NH2+])NCCCO;C(CNC(=[NH2+])N)CO","InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1","","2004-01-22","2011-06-04","amino[(3-hydroxypropyl)amino]methaniminium",""],["PG4","TETRAETHYLENE GLYCOL","C8 H18 O5","OCCOCCOCCOCCO;OCCOCCOCCOCCO;C(COCCOCCOCCO)O","InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2","","1999-08-03","2011-06-04","2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol",""],["3CP","3-CARBOXYPROPYL-COENZYME A","C25 H42 N7 O18 P3 S","O=C(O)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCCCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCCC(=O)O)O","InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1","","1999-07-08","2011-06-04","(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)",""],["PG5","1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE","C8 H18 O4","O(C)CCOCCOCCOC;COCCOCCOCCOC;COCCOCCOCCOC","InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3","","1999-09-21","2011-06-04","2,5,8,11-tetraoxadodecane",""],["3CQ","2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid","C35 H32 F N5 O4 S2","O=C(O)c1nc(sc1CCCOc2ccc(C#CCN(C)C)cc2F)N4CCc3cccc(c3C4)C(=O)Nc5nc6ccccc6s5;CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N3CCc4cccc(C(=O)Nc5sc6ccccc6n5)c4C3)c(F)c1;CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O","InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)","","2014-07-29","2015-07-17","2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid","2015-07-22"],["PG6","1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE","C12 H26 O6","O(CCOC)CCOCCOCCOCCOC;COCCOCCOCCOCCOCCOC;COCCOCCOCCOCCOCCOC","InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3","","1999-09-21","2011-06-04","2,5,8,11,14,17-hexaoxaoctadecane",""],["3CR","(2E)-2-(hydroxyimino)-3-phenylpropanoic acid","C9 H9 N O3","O=C(O)C(=NO)Cc1ccccc1;ON=C(Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(=NO)C(=O)O","InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8+","","2014-07-30","2015-02-06","(2E)-2-(hydroxyimino)-3-phenylpropanoic acid","2015-02-11"],["3CS","3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID","C36 H37 I N2 O4","O=C(O)C(C)(C)Cc4c(c3cc(OCc1nc2c(cc1)cccc2)ccc3n4Cc5ccc(I)cc5)C(=O)CC(C)(C)C;CC(C)(C)CC(=O)c1c(CC(C)(C)C(O)=O)n(Cc2ccc(I)cc2)c3ccc(OCc4ccc5ccccc5n4)cc13;CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4","InChI=1S/C36H37IN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42)","","2007-06-15","2011-06-04","3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid",""],["PG7","((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1O)N)CC3O;Nc1nc(O)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2O)N","InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2005-07-11","2010-03-18","2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol",""],["3CT","3-chloro-L-tyrosine","C9 H10 Cl N O3","Clc1cc(ccc1O)CC(C(=O)O)N;N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)Cl)O","InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1","","2013-12-18","2024-09-27","3-chloro-L-tyrosine","2015-08-19"],["PG8","1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)","C22 H42 O10 P","O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCC)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC","InChI=1S/C22H43O10P/c1-3-5-7-9-11-13-21(25)29-17-20(32-22(26)14-12-10-8-6-4-2)18-31-33(27,28)30-16-19(24)15-23/h19-20,23-24H,3-18H2,1-2H3,(H,27,28)/p-1/t19-,20-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(octanoyloxy)propyl (2R)-2,3-dihydroxypropyl phosphate",""],["3CU","CASUARINE","C8 H15 N O5","OC2C(O)C1N(C(C(O)C1O)CO)C2;OC[CH]1[CH](O)[CH](O)[CH]2[CH](O)[CH](O)CN12;C1C(C(C2N1C(C(C2O)O)CO)O)O","InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1","(1R,2R,3R,6S,7S,7aR)-3-(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol","2008-03-28","2021-03-13","(1R,2R,3R,6S,7S,7aR)-3-(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol",""],["PG9","D-PHENYLGLYCINE","C8 H9 N O2","O=C(O)C(N)c1ccccc1;N[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)N","InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1","","2005-10-07","2024-09-27","(2R)-amino(phenyl)ethanoic acid",""],["3CW","[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol","C18 H22 Cl2 N4 O","Clc1cccc(c1Cl)c1nc(CO)c(nc1C)N1CCC(C)(N)CC1;Cc1nc(N2CCC(C)(N)CC2)c(CO)nc1c3cccc(Cl)c3Cl;Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl","InChI=1S/C18H22Cl2N4O/c1-11-16(12-4-3-5-13(19)15(12)20)23-14(10-25)17(22-11)24-8-6-18(2,21)7-9-24/h3-5,25H,6-10,21H2,1-2H3","","2021-07-04","2021-10-22","[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol","2021-10-27"],["PGA","2-PHOSPHOGLYCOLIC ACID","C2 H5 O6 P","O=P(O)(O)OCC(=O)O;OC(=O)CO[P](O)(O)=O;C(C(=O)O)OP(=O)(O)O","InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)","","1999-07-08","2024-09-27","(phosphonooxy)acetic acid",""],["PGC","O-PHOSPHOGLYCOLOHYDROXAMATE","C2 H6 N O6 P","O=P(O)(O)OCC(=O)NO;ONC(=O)CO[P](O)(O)=O;C(C(=O)NO)OP(=O)(O)O","InChI=1/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)/f/h3,6-7H","","1999-08-03","2008-10-14","2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate",""],["3CX","(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid","C9 H19 N O4 S","O=S(=O)(O)CC(O)CNC1CCCCC1;O[CH](CNC1CCCCC1)C[S](O)(=O)=O;C1CCC(CC1)NCC(CS(=O)(=O)O)O","InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m0/s1","","2010-09-22","2011-06-04","(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid",""],["PGD","2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE","C20 H24 N10 O13 P2 S2","O=C6N=C(N=C1C6=NC2C(S)=C(S)C(OC2N1)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5NC6=NC(=NC(=O)C6=N[CH]5C(=C4S)S)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N","InChI=1S/C20H24N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H3,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(R)-{[(R)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-5a,8,9a,10-tetrahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["3CY","(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID","C31 H34 N4 O9 S","O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4;CC(=O)N[CH](CC(O)=O)C(=O)N[CH]1CCc2cccc3C[CH](N(C1=O)c23)C(=O)N[CH](CC(O)=O)C(=O)CSCc4ccccc4;CC(=O)NC(CC(=O)O)C(=O)NC1CCc2cccc3c2N(C1=O)C(C3)C(=O)NC(CC(=O)O)C(=O)CSCc4ccccc4","InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1","","2003-11-24","2024-09-27","(3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid",""],["3CZ","(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine","C21 H27 N3 O4 S","[O-][N+](=O)c1ccc(cc1)N2CC(N(CC2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C;C[CH]1CN(CCN1[S](=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+]([O-])=O;CC1CN(CCN1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-]","InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1","","2008-04-30","2011-06-04","(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine",""],["PGE","TRIETHYLENE GLYCOL","C6 H14 O4","OCCOCCOCCO;OCCOCCOCCO;C(COCCOCCO)O","InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2","","1999-07-08","2011-06-04","2,2'-[ethane-1,2-diylbis(oxy)]diethanol",""],["PGF","2,5,8,11-TETRAOXATRIDECANE","C9 H20 O4","O(C)CCOCCOCCOCC;CCOCCOCCOCCOC;CCOCCOCCOCCOC","InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3","","2006-05-15","2011-06-04","2,5,8,11-tetraoxatridecane",""],["3D0","N-[(2S)-2-[(N~2~-acetyl-D-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-L-allothreonyl-D-phenylalaninamide","C30 H45 N7 O6","O=C(N)C(NC(=O)C(NCC(NC(=O)C(NC(=O)C)CCCCN)COCc1cccnc1)C(O)C)Cc2ccccc2;C[CH](O)[CH](NC[CH](COCc1cccnc1)NC(=O)[CH](CCCCN)NC(C)=O)C(=O)N[CH](Cc2ccccc2)C(N)=O;CC(C(C(=O)NC(Cc1ccccc1)C(=O)N)NCC(COCc2cccnc2)NC(=O)C(CCCCN)NC(=O)C)O","InChI=1S/C30H45N7O6/c1-20(38)27(30(42)37-26(28(32)40)15-22-9-4-3-5-10-22)34-17-24(19-43-18-23-11-8-14-33-16-23)36-29(41)25(35-21(2)39)12-6-7-13-31/h3-5,8-11,14,16,20,24-27,34,38H,6-7,12-13,15,17-19,31H2,1-2H3,(H2,32,40)(H,35,39)(H,36,41)(H,37,42)/t20-,24-,25+,26+,27-/m0/s1","","2014-07-28","2015-05-08","N-[(2S)-2-[(N~2~-acetyl-D-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-L-allothreonyl-D-phenylalaninamide","2015-05-13"],["3D1","(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol","C10 H13 N5 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N","InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1","2'-DEOXYADENOSINE","2004-02-16","2021-03-01","2'-deoxyadenosine",""],["PGG","PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE","C12 H15 N2 O8 P","O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCC(=O)O;OC(=O)CNC(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OP(=O)(CCCC(=O)NCC(=O)O)O","InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21)","N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE","1999-09-13","2020-06-17","N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}glycine",""],["3D2","N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide","C18 H24 N4 O","O=C(N)C(NCc2cc(c1cccnc1)ccc2)CCCCN;NCCCC[CH](NCc1cccc(c1)c2cccnc2)C(N)=O;c1cc(cc(c1)c2cccnc2)CNC(CCCCN)C(=O)N","InChI=1S/C18H24N4O/c19-9-2-1-8-17(18(20)23)22-12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h3-7,10-11,13,17,22H,1-2,8-9,12,19H2,(H2,20,23)/t17-/m0/s1","","2014-07-28","2015-05-08","N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide","2015-05-13"],["PGH","PHOSPHOGLYCOLOHYDROXAMIC ACID","C2 H6 N O6 P","O=P(O)(O)OCC(=O)NO;ONC(=O)CO[P](O)(O)=O;C(C(=O)NO)OP(=O)(O)O","InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)","","1999-07-08","2011-06-04","2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate",""],["PGI","(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL","C16 H21 N2 O4","OCC2[n+]1cc(nc1C(O)C(O)C2O)CCc3ccccc3;OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(CCc3ccccc3)c[n+]12;c1ccc(cc1)CCc2c[n+]3c([nH]2)C(C(C(C3CO)O)O)O","InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/p+1/t12-,13-,14+,15-/m1/s1","","2006-02-10","2011-06-04","(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["3D3","2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE","C7 H8 N6 O S","O=C(N)CSc2nc1ncnc(c1n2)N;NC(=O)CSc1[nH]c2c(N)ncnc2n1;c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N","InChI=1S/C7H8N6OS/c8-3(14)1-15-7-12-4-5(9)10-2-11-6(4)13-7/h2H,1H2,(H2,8,14)(H3,9,10,11,12,13)","","2006-03-09","2011-06-04","2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide",""],["3D4","N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide","C33 H45 N7 O5","O=C(N)C(NC(O)C(NC(=O)CNC(=O)C(NCc2ccc(c1cccnc1)cc2)CCCCN)C(O)C)Cc3ccccc3;C[CH](O)[CH](NC(=O)CNC(=O)[CH](CCCCN)NCc1ccc(cc1)c2cccnc2)[CH](O)N[CH](Cc3ccccc3)C(N)=O;CC(C(C(NC(Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)C(CCCCN)NCc2ccc(cc2)c3cccnc3)O","InChI=1S/C33H45N7O5/c1-22(41)30(33(45)39-28(31(35)43)18-23-8-3-2-4-9-23)40-29(42)21-38-32(44)27(11-5-6-16-34)37-19-24-12-14-25(15-13-24)26-10-7-17-36-20-26/h2-4,7-10,12-15,17,20,22,27-28,30,33,37,39,41,45H,5-6,11,16,18-19,21,34H2,1H3,(H2,35,43)(H,38,44)(H,40,42)/t22-,27+,28-,30+,33-/m1/s1","","2014-07-28","2015-05-08","N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide","2015-05-13"],["PGJ","2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE","C22 H18 F N3 O5","Fc4ccc(C=1C(=O)ON(C=1c3nc(Oc2ccccc2O)ncc3)COCC)cc4;CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4;CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O","InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3","","2005-03-15","2011-06-04","2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2H)-one",""],["3D5","N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide","C18 H24 N4 O","O=C(N)C(NCc2ccc(c1cccnc1)cc2)CCCCN;NCCCC[CH](NCc1ccc(cc1)c2cccnc2)C(N)=O;c1cc(cnc1)c2ccc(cc2)CNC(CCCCN)C(=O)N","InChI=1S/C18H24N4O/c19-10-2-1-5-17(18(20)23)22-12-14-6-8-15(9-7-14)16-4-3-11-21-13-16/h3-4,6-9,11,13,17,22H,1-2,5,10,12,19H2,(H2,20,23)/t17-/m1/s1","","2014-07-28","2015-05-08","N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide","2015-05-13"],["PGK","(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL\n(9S,10S)-9,10-DIBROMOOCTADECANOATE","C40 H77 Br2 O10 P","BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br","InChI=1S/C40H77Br2O10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-39(45)49-33-36(34-51-53(47,48)50-32-35(44)31-43)52-40(46)30-26-22-18-20-24-28-38(42)37(41)27-23-19-10-8-6-4-2/h35-38,43-44H,3-34H2,1-2H3,(H,47,48)/t35-,36-,37+,38+/m1/s1","DIBROMINATED PHOSPHATIDYLGLYCEROL; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]\n(SODIUM SALT)","2006-07-06","2020-06-17","(1R)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate",""],["3D6","N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide","C18 H24 N4 O","O=C(N)C(NCc2ccc(c1cccnc1)cc2)CCCCN;NCCCC[CH](NCc1ccc(cc1)c2cccnc2)C(N)=O;c1cc(cnc1)c2ccc(cc2)CNC(CCCCN)C(=O)N","InChI=1S/C18H24N4O/c19-10-2-1-5-17(18(20)23)22-12-14-6-8-15(9-7-14)16-4-3-11-21-13-16/h3-4,6-9,11,13,17,22H,1-2,5,10,12,19H2,(H2,20,23)/t17-/m0/s1","","2014-07-28","2015-05-08","N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide","2015-05-13"],["PGL","(aminomethyl)phosphonic acid","C H6 N O3 P","O=P(O)(O)CN;NC[P](O)(O)=O;C(N)P(=O)(O)O","InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)","","1999-07-08","2011-06-04","(aminomethyl)phosphonic acid",""],["PGM","1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]","C22 H44 O9 P","O=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O","InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1","LYSOPHOSPHATIDYLGLYCEROL","2002-12-12","2021-03-01","(2S)-2,3-dihydroxypropyl (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate",""],["3D7","3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one","C9 H10 N4 O","O=C2NC=C(c1cn(nc1)C)C=C2N;Cn1cc(cn1)C2=CNC(=O)C(=C2)N;Cn1cc(cn1)C2=CNC(=O)C(=C2)N","InChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14)","","2014-03-24","2015-04-03","3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one","2015-04-08"],["PGN","2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1","","2001-07-02","2024-09-27","2'-deoxyguanosine 3',5'-bis(dihydrogen phosphate)",""],["3D8","N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine","C11 H9 N5","n1c(c2cccn2nc1)Nc3cccnc3;N(c1cccnc1)c2ncnn3cccc23;c1cc(cnc1)Nc2c3cccn3ncn2","InChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15)","","2014-07-28","2014-09-05","N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine","2014-09-03"],["3D9","6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine","C17 H13 N5","n1c(c2cc(cn2nc1)c3ccccc3)Nc4ccncc4;N(c1ccncc1)c2ncnn3cc(cc23)c4ccccc4;c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4","InChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21)","","2014-07-28","2014-09-05","6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine","2014-09-03"],["PGO","S-1,2-PROPANEDIOL","C3 H8 O2","OCC(O)C;C[CH](O)CO;CC(CO)O","InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1","","1999-07-08","2011-06-04","(2S)-propane-1,2-diol",""],["PGP","GUANOSINE-3',5'-DIPHOSPHATE","C10 H15 N5 O11 P2","O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","guanosine 3',5'-bis(dihydrogen phosphate)",""],["3DA","3'-DEOXYADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)C[CH]3O;c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1","","2004-02-09","2011-06-04","3'-deoxy-5'-adenylic acid",""],["3DB","5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide","C8 H8 N4 O4 S3","O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N;N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1;c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)/f/h12H,9H2","","2008-06-03","2009-08-04","5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide",""],["PGQ","S-1,2-PROPANEDIOL","C3 H8 O2","OCC(O)C;C[CH](O)CO;CC(CO)O","InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1","","2000-12-22","2008-10-14","(2S)-propane-1,2-diol",""],["3DC","6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine","C14 H11 N7","n3n2cc(c1cnnc1)cc2c(nc3)Nc4ccncc4;[nH]1cc(cn1)c2cn3ncnc(Nc4ccncc4)c3c2;c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4","InChI=1S/C14H11N7/c1-3-15-4-2-12(1)20-14-13-5-10(11-6-17-18-7-11)8-21(13)19-9-16-14/h1-9H,(H,17,18)(H,15,16,19,20)","","2014-07-28","2014-09-05","6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine","2014-09-03"],["PGR","R-1,2-PROPANEDIOL","C3 H8 O2","OCC(O)C;C[CH](O)CO;CC(CO)O","InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","","2000-12-22","2024-09-27","(2R)-propane-1,2-diol",""],["PGS","2-DEAZO-6-THIOPHOSPHATE GUANOSINE-5'-MONOPHOSPHATE","C10 H15 N4 O10 P2 S","O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O;O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2cnc3c(S[P](O)(O)=O)[nH+]cnc23;c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)SP(=O)(O)O","InChI=1S/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","9-(5-O-phosphono-beta-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium",""],["3DD","(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID","C10 H12 N4 O4","O=C(O)C(O)C(O)Cn1c2ccnc(c2nc1)N;Nc1nccc2n(C[CH](O)[CH](O)C(O)=O)cnc12;c1cnc(c2c1n(cn2)CC(C(C(=O)O)O)O)N","InChI=1S/C10H12N4O4/c11-9-7-5(1-2-12-9)14(4-13-7)3-6(15)8(16)10(17)18/h1-2,4,6,8,15-16H,3H2,(H2,11,12)(H,17,18)/t6-,8-/m1/s1","","2006-06-05","2011-06-04","(2R,3R)-4-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid",""],["3DE","3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","C14 H17 N2 O2","O=C(OCC)c2c([nH+]n(c1ccccc1)c2C)C;CCOC(=O)c1c(C)[nH+]n(c1C)c2ccccc2;CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C","InChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3/p+1","","2004-11-23","2011-06-04","4-(ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium",""],["PGT","(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE","C40 H79 O10 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(CO)O","InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1","PHOSPHATIDYLGLYCEROL; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT)","2006-07-06","2020-06-17","(1S)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate",""],["3DG","9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE","C10 H13 N5 O4","O=C1c2ncn(c2N=C(N)N1)C3OC(CC3O)CO;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)C[CH]3O;c1nc2c(n1C3C(CC(O3)CO)O)N=C(NC2=O)N","InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1","3-DEOXYGUANOSINE","2003-11-10","2020-06-17","3'-deoxyguanosine",""],["PGU","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid","C13 H19 N2 O9 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(=O)O)O","InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m0/s1","","1999-07-08","2024-09-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid",""],["PGV","(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE","C40 H77 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=C/CCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCC=CCCCCCC","InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1","PHOSPHATIDYLGLYCEROL; 2-VACCENOYL-1-PALMITOYL-SN-GLYCEROL-3-PHOSPHOGLYCEROL","2003-12-02","2020-05-27","(1R)-2-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (11Z)-octadec-11-enoate",""],["3DH","5'-S-ethyl-5'-thioadenosine","C12 H17 N5 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCC)N;CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","S-adenosylethane","2008-06-20","2020-06-17","5'-S-ethyl-5'-thioadenosine",""],["3DI","3-(1~{H}-pyrazol-5-yl)aniline","C9 H9 N3","Nc1cccc(c1)c2[nH]ncc2;c1cc(cc(c1)N)c2ccn[nH]2","InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)","3-(1H-pyrazol-5yl)aniline","2021-06-24","2022-05-20","3-(1~{H}-pyrazol-5-yl)aniline","2022-05-25"],["PGW","(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl\n(9Z)-octadec-9-enoate","C40 H77 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1","1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)]; PHOSPHATIDYLGLYCEROL","2007-11-02","2020-06-17","(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate",""],["3DJ","(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid","C10 H12 N2 O4","O=C(O)C(N)CC(=O)c1cccc(O)c1N;N[CH](CC(=O)c1cccc(O)c1N)C(O)=O;c1cc(c(c(c1)O)N)C(=O)CC(C(=O)O)N","InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1","","2014-07-29","2015-07-31","(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid","2015-08-05"],["PGX","7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID","C20 H32 O6","O=C(O)CCC/C=CCC2C1OOC(C1)C2/C=C/C(OO)CCCCC;CCCCC[CH](OO)C=C[CH]1[CH]2C[CH](OO2)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OO2)OO","InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1","PROSTAGLANDIN G2","1999-11-10","2021-03-01","(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid",""],["PGY","PHENYLGLYCINE","C8 H9 N O2","O=C(O)C(N)c1ccccc1;N[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)N","InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/f/h10H","","1999-07-08","2009-01-07","(2R)-amino(phenyl)ethanoic acid",""],["3DK","3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","C21 H16 F2 N6","Fc1cc(c(F)cc1)Cn2ncc(c2)c5c4cc(c3cn(nc3)C)cnc4nc5;Cn1cc(cn1)c2cnc3[nH]cc(c4cnn(Cc5cc(F)ccc5F)c4)c3c2;Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F","InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)","","2013-03-28","2013-07-12","3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","2013-07-17"],["3DL","4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid","C17 H12 N2 O3","O=C(O)c3ccc(c2nc(c1cc(O)ccc1)cnc2)cc3;Oc1cccc(c1)c2cncc(n2)c3ccc(cc3)C(O)=O;c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O","InChI=1S/C17H12N2O3/c20-14-3-1-2-13(8-14)16-10-18-9-15(19-16)11-4-6-12(7-5-11)17(21)22/h1-10,20H,(H,21,22)","","2014-07-30","2014-12-12","4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid","2014-12-17"],["PGZ","METHYL 2-O-[(S)-(BENZYLOXY)(HYDROXY)PHOSPHORYL]-3-DEOXY-3-{[(4-METHYLPHENYL)CARBONYL]AMINO}-1-THIO-BETA-D-GALACTOPYRANOSIDE","C22 H28 N O8 P S","O=P(OC2C(NC(=O)c1ccc(cc1)C)C(O)C(OC2SC)CO)(OCc3ccccc3)O;CS[CH]1O[CH](CO)[CH](O)[CH](NC(=O)c2ccc(C)cc2)[CH]1O[P](O)(=O)OCc3ccccc3;Cc1ccc(cc1)C(=O)NC2C(C(OC(C2OP(=O)(O)OCc3ccccc3)SC)CO)O","InChI=1S/C22H28NO8PS/c1-14-8-10-16(11-9-14)21(26)23-18-19(25)17(12-24)30-22(33-2)20(18)31-32(27,28)29-13-15-6-4-3-5-7-15/h3-11,17-20,22,24-25H,12-13H2,1-2H3,(H,23,26)(H,27,28)/t17-,18+,19+,20-,22+/m1/s1","","2011-08-10","2014-09-05","methyl 2-O-[(S)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-[(4-methylbenzoyl)amino]-1-thio-beta-D-galactopyranoside",""],["PH0","N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine","C27 H31 N2 O5 P","O=C(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3ccccc3;N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(O)=O;c1ccc(cc1)CC(CP(=O)(C(Cc2ccccc2)N)O)C(=O)NC(Cc3ccccc3)C(=O)O","InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1","","2007-10-18","2011-06-04","N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine",""],["3DM","2,6-dimethoxyphenol","C8 H10 O3","O(c1cccc(OC)c1O)C;COc1cccc(OC)c1O;COc1cccc(c1O)OC","InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3","","2009-01-19","2011-06-04","2,6-dimethoxyphenol",""],["3DN","3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one","C24 H29 N3 O","O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCC(N(C)C)CC3)C;CN(C)C1CCN(CC1)Cc2ccc(cc2)C3=Cc4c(C)cccc4C(=O)N3;Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C","InChI=1S/C24H29N3O/c1-17-5-4-6-21-22(17)15-23(25-24(21)28)19-9-7-18(8-10-19)16-27-13-11-20(12-14-27)26(2)3/h4-10,15,20H,11-14,16H2,1-3H3,(H,25,28)","","2014-07-29","2015-07-02","3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one","2015-07-07"],["PH1","1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE","C43 H88 O2","O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1","PHYTANYL MOIETY","1999-07-08","2021-03-01","(3S,7S,11S,3'S,7'S,11'S)-1,1'-[(2R)-propane-1,2-diylbis(oxy)]bis(3,7,11,15-tetramethylhexadecane)",""],["PH2","2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE","C7 H9 N5 O2","O=C1NC(=NC=2NCC(=NC1=2)CO)N;NC1=NC2=C(N=C(CO)CN2)C(=O)N1;C1C(=NC2=C(N1)N=C(NC2=O)N)CO","InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)","","1999-07-08","2011-06-04","2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4(3H)-one",""],["3DO","3-deoxy-beta-D-glucopyranose","C6 H12 O5","OC1C(OC(O)C(O)C1)CO;OC[CH]1O[CH](O)[CH](O)C[CH]1O;C1C(C(OC(C1O)O)CO)O","InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1","3-deoxy-beta-D-ribo-hexopyranose; 3-deoxy-beta-D-glucose; 3-deoxy-D-glucose; 3-deoxy-glucose","2013-11-26","2020-07-17","3-deoxy-beta-D-ribo-hexopyranose","2015-03-25"],["PH3","N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE","C7 H8 Cl N3 O","Clc1ccc(NC(=[N@H])NO)cc1;ONC(=N)Nc1ccc(Cl)cc1;c1cc(ccc1NC(=N)NO)Cl","InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)","","1999-12-16","2011-06-04","1-(4-chlorophenyl)-3-hydroxyguanidine",""],["3DP","3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE","C13 H29 N O3 S","[O-]S(=O)(=O)CCC[N+](C)(CCCCCCCC)C;CCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O;CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]","InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3","","2006-01-12","2011-06-04","3-[dimethyl(octyl)ammonio]propane-1-sulfonate",""],["3DQ","(1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid","C15 H18 O7","O=C1C(C(O)(C(=O)O)CC(O)C1O)Cc2ccc(OC)cc2;COc1ccc(C[CH]2C(=O)[CH](O)[CH](O)C[C]2(O)C(O)=O)cc1;COc1ccc(cc1)CC2C(=O)C(C(CC2(C(=O)O)O)O)O","InChI=1S/C15H18O7/c1-22-9-4-2-8(3-5-9)6-10-12(17)13(18)11(16)7-15(10,21)14(19)20/h2-5,10-11,13,16,18,21H,6-7H2,1H3,(H,19,20)/t10-,11-,13+,15-/m1/s1","","2012-08-14","2014-09-12","(1R,2S,4S,5R)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid","2012-12-14"],["PH4","3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate","C5 H13 N O10 P2","O=P(O)(OCCCN(O)C(=O)COP(=O)(O)O)O;ON(CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O;C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O","InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)","","2008-02-04","2011-06-04","3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate",""],["3DR","1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE","C5 H11 O6 P","O=P(OCC1OCCC1O)(O)O;O[CH]1CCO[CH]1CO[P](O)(O)=O;C1COC(C1O)COP(=O)(O)O","InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1","ABASIC DIDEOXYRIBOSE","1999-07-08","2024-09-27","1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol",""],["PH5","benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C19 H27 N O9","O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2;CCC(=O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O","InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1","2-PHENYL-PROP5AC; benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; benzyl\n3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid; benzyl\n3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid","2005-06-27","2020-07-17","benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["PH6","(4S)-4-cyclohexyl-L-proline","C11 H19 N O2","O=C(O)C2NCC(C1CCCCC1)C2;OC(=O)[CH]1C[CH](CN1)C2CCCCC2;C1CCC(CC1)C2CC(NC2)C(=O)O","InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1","","2015-02-06","2024-09-27","(4S)-4-cyclohexyl-L-proline","2015-06-03"],["3DS","(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid","C7 H8 O5","O=C1C=C(C(=O)O)CC(O)C1O;O[CH]1CC(=CC(=O)[CH]1O)C(O)=O;C1C(C(C(=O)C=C1C(=O)O)O)O","InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1","3-dehydroshikimate","2010-05-27","2024-09-27","(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid",""],["3DT","3-methylthymidine","C11 H16 N2 O5","CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](CO)O2;CC1=CN(C(=O)N(C1=O)C)C2CC(C(O2)CO)O","InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1","","2010-02-16","2011-06-04","1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione",""],["PH7","(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID","C22 H16 Br N O4","Brc3ccccc3Oc2ccc(/C=C(/C(=O)O)NC(=O)c1ccccc1)cc2;OC(=O)C(NC(=O)c1ccccc1)=Cc2ccc(Oc3ccccc3Br)cc2;c1ccc(cc1)C(=O)NC(=Cc2ccc(cc2)Oc3ccccc3Br)C(=O)O","InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-","","2005-02-22","2011-06-04","(2Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoic acid",""],["PH8","5-phenyl-L-norvaline","C11 H15 N O2","C(O)(=O)C(N)CCCc1ccccc1;N[CH](CCCc1ccccc1)C(O)=O;c1ccc(cc1)CCCC(C(=O)O)N","InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1","","2015-03-10","2024-09-27","5-phenyl-L-norvaline","2015-04-15"],["3DU","4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one","C10 H14 N O9 P","O=P(O)(O)OCC2OC(N1C(=O)C=C(O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=CC2=O)O;C1=CN(C(=O)C=C1O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H14NO9P/c12-5-1-2-11(7(13)3-5)10-9(15)8(14)6(20-10)4-19-21(16,17)18/h1-3,6,8-10,12,14-15H,4H2,(H2,16,17,18)/t6-,8-,9-,10-/m1/s1","3-deazauridine 5'-monophosphate","2013-12-05","2020-06-17","4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one","2013-12-18"],["PH9","(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID","C26 H28 Br N O4","Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24CC3CC(CC(C2)C3)C4;OC(=O)[CH](Cc1ccc(Oc2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5)C3)C4;c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br","InChI=1S/C26H28BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,17-19,22H,9-15H2,(H,28,31)(H,29,30)/t17-,18+,19-,22?,26+","","2005-03-18","2011-06-04","O-(2-bromophenyl)-N-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]-D-tyrosine",""],["3DV","4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid","C17 H13 N3 O3","O=C(O)c1ccc(cc1)c2nc(cnc2N)c3cccc(O)c3;Nc1ncc(nc1c2ccc(cc2)C(O)=O)c3cccc(O)c3;c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N","InChI=1S/C17H13N3O3/c18-16-15(10-4-6-11(7-5-10)17(22)23)20-14(9-19-16)12-2-1-3-13(21)8-12/h1-9,21H,(H2,18,19)(H,22,23)","","2014-07-30","2014-12-12","4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid","2014-12-17"],["3DW","3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid","C22 H21 N5 O2","O=C(O)c5ncc2c(c1cc(cnc1n2)c3ccc(cc3)N4CCN(C)CC4)c5;CN1CCN(CC1)c2ccc(cc2)c3cnc4[nH]c5cnc(cc5c4c3)C(O)=O;CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O","InChI=1S/C22H21N5O2/c1-26-6-8-27(9-7-26)16-4-2-14(3-5-16)15-10-18-17-11-19(22(28)29)23-13-20(17)25-21(18)24-12-15/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,28,29)","","2014-07-30","2014-12-12","3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid","2014-12-17"],["PHA","PHENYLALANINAL","C9 H11 N O","O=CC(N)Cc1ccccc1;N[CH](Cc1ccccc1)C=O;c1ccc(cc1)CC(C=O)N","InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-3-phenylpropanal",""],["PHB","P-HYDROXYBENZOIC ACID","C7 H6 O3","O=C(O)c1ccc(O)cc1;OC(=O)c1ccc(O)cc1;c1cc(ccc1C(=O)O)O","InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)","","1999-07-08","2024-09-27","4-hydroxybenzoic acid",""],["3DX","3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile","C22 H20 N6","N#Cc5ncc2c(c1cc(cnc1n2)c3ccc(cc3)N4CCN(C)CC4)c5;CN1CCN(CC1)c2ccc(cc2)c3cnc4[nH]c5cnc(cc5c4c3)C#N;CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N","InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26)","","2014-07-30","2014-12-12","3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile","2014-12-17"],["3DY","3,6-anhydro-beta-L-galactopyranose","C6 H10 O5","OC2OC1C(O)C(OC1)C2O;O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O;C1C2C(C(O1)C(C(O2)O)O)O","InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6-/m0/s1","","2014-07-29","2015-02-06","3,6-anhydro-beta-L-galactopyranose","2015-02-11"],["PHC","N-METHYL-N-(METHYLBENZYL)FORMAMIDE","C10 H13 N O","O=CN(C(c1ccccc1)C)C;C[CH](N(C)C=O)c1ccccc1;CC(c1ccccc1)N(C)C=O","InChI=1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1","","1999-07-08","2011-12-12","N-methyl-N-[(1S)-1-phenylethyl]formamide",""],["3DZ","(2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid","C20 H27 N2 O4 P","O=C(O)C(Cc1cccc(c1)CN)CP(=O)(O)C(N)CCc2ccccc2;NCc1cccc(C[CH](C[P](O)(=O)[CH](N)CCc2ccccc2)C(O)=O)c1;c1ccc(cc1)CCC(N)P(=O)(CC(Cc2cccc(c2)CN)C(=O)O)O","InChI=1S/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)/t18-,19-/m1/s1","","2014-08-01","2014-09-05","(2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid","2014-09-10"],["PHD","ASPARTYL PHOSPHATE","C4 H8 N O7 P","O=C(OP(=O)(O)O)CC(C(=O)O)N;N[CH](CC(=O)O[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)OP(=O)(O)O","InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1","","1999-10-06","2024-09-27","4-oxo-O-phosphono-L-homoserine",""],["PHE","PHENYLALANINE","C9 H11 N O2","O=C(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)N","InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1","","1999-07-08","2024-09-27","L-phenylalanine",""],["3E0","4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine","C14 H15 F N2 O2 S","Fc3cccc(c1nc(sc1)N2CCOCC2)c3OC;COc1c(F)cccc1c2csc(n2)N3CCOCC3;COc1c(cccc1F)c2csc(n2)N3CCOCC3","InChI=1S/C14H15FN2O2S/c1-18-13-10(3-2-4-11(13)15)12-9-20-14(16-12)17-5-7-19-8-6-17/h2-4,9H,5-8H2,1H3","","2014-07-29","2015-07-24","4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine","2015-07-29"],["3E1","N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide","C16 H16 N2 O4","O=C(Nc1cc(c(O)cc1)c2cc(ccc2O)NC(=O)C)C;CC(=O)Nc1ccc(O)c(c1)c2cc(NC(C)=O)ccc2O;CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O","InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)","acetaminophen dimer","2014-08-04","2021-03-01","N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide","2014-08-13"],["PHF","HF-OXO-PHOSPHATE CLUSTER PHF","H11 Hf5 O23 P","O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5;O[Hf]12(O[Hf]34(O15[Hf]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O","InChI=1S/5Hf.H3O4P.11H2O.8O/c;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;;;;;(H3,1,2,3,4);11*1H2;;;;;;;;/q2*+2;2*+3;+4;;;;;;;;;;;;;;;;;;;;/p-14","","2002-11-12","2023-09-23","",""],["3E2","(3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid","C11 H8 N4 O2 S","O=C(O)CN2c1c(cccc1)C3=NNC(=S)N=C23;OC(=O)CN1c2ccccc2C3=NNC(=S)N=C13;c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O","InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)","","2014-08-05","2015-03-27","(3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid","2015-04-01"],["PHG","PHENYLMERCURY","C6 H5 Hg","[Hg]c1ccccc1;[Hg]c1ccccc1;c1ccc(cc1)[Hg]","InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1;/h1-5H;","","1999-09-09","2011-06-04","phenylmercury",""],["3E3","(2S,3S)-3-amino-N-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide","C15 H24 N2 O2","O=C(Nc1ccc(cc1C)C)C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C(=O)Nc1ccc(C)cc1C;Cc1ccc(c(c1)C)NC(=O)C(C(CC(C)C)N)O","InChI=1S/C15H24N2O2/c1-9(2)7-12(16)14(18)15(19)17-13-6-5-10(3)8-11(13)4/h5-6,8-9,12,14,18H,7,16H2,1-4H3,(H,17,19)/t12-,14-/m0/s1","","2014-08-05","2014-08-08","(2S,3S)-3-amino-N-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide","2014-08-13"],["PHH","4,5,6,7-TETRACHLORO-PHTHALIDE","C8 H2 Cl4 O2","O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl;Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl;C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1","InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2","4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE","2000-10-25","2021-03-13","4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one",""],["3E4","N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide","C32 H31 Cl N6 O3 S","Clc1ccccc1S(=O)(=O)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)c(c6)C;Cc1cc(N[S](=O)(=O)c2ccccc2Cl)c3ccccc3c1Oc4ncccc4c5ccnc(N[CH]6CC[CH](N)CC6)n5;Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl","InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-","","2014-07-31","2014-10-03","N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide","2014-10-08"],["PHI","IODO-PHENYLALANINE","C9 H10 I N O2","Ic1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(I)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)I","InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","1999-07-08","2024-09-27","4-iodo-L-phenylalanine",""],["PHJ","N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE","C7 H8 N2 O2","O=C(ON)Nc1ccccc1;NOC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)ON","InChI=1S/C7H8N2O2/c8-11-7(10)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)","N-[(AMINOOXY)CARBONYL]ANILINE","2003-10-27","2021-03-01","N-[(aminooxy)carbonyl]aniline",""],["3E5","N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide","C35 H52 N4 O6","O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)Nc2ccc(C)cc2C;Cc1ccc(c(c1)C)NC(=O)C(C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2)O","InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1","","2014-08-05","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide","2014-08-13"],["3E6","Rebaudioside A2","C44 H70 O23","C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C(=O)O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O","InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(58)30(54)26(50)20(14-47)63-38)23(43)6-10-44(17,16-43)67-39-35(65-37-33(57)29(53)25(49)19(13-46)62-37)31(55)27(51)21(64-39)15-60-36-32(56)28(52)24(48)18(12-45)61-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,41-,42-,43-,44+/m1/s1","","2021-07-13","2021-12-03","","2021-12-08"],["PHK","(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL","C10 H14 Cl N O","ClCC(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)CCl;c1ccc(cc1)CC(C(CCl)O)N","InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1","","2002-10-01","2024-09-27","(2R,3S)-3-amino-1-chloro-4-phenylbutan-2-ol",""],["PHL","L-PHENYLALANINOL","C9 H13 N O","OCC(N)Cc1ccccc1;N[CH](CO)Cc1ccccc1;c1ccc(cc1)CC(CO)N","InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1","bound form of Phenylalaninal","1999-07-08","2024-09-27","(2S)-2-amino-3-phenylpropan-1-ol",""],["3E7","1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide","C28 H24 N2 O3 S","O=S(=O)(c2c1ccccc1ccc2)n4c3ccc(cc3cc4)C(=O)NC(c5ccccc5)CC;CC[CH](NC(=O)c1ccc2n(ccc2c1)[S](=O)(=O)c3cccc4ccccc34)c5ccccc5;CCC(c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5","InChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31)/t25-/m0/s1","","2014-08-08","2016-01-22","1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide","2016-01-27"],["3E8","3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile","C29 H28 N6 O2","N#Cc5cccc(C1=NN(C(=O)C=C1)Cc4cc(c3ncc(OCC2CCN(C)CC2)cn3)ccc4)c5;CN1CCC(CC1)COc2cnc(nc2)c3cccc(CN4N=C(C=CC4=O)c5cccc(c5)C#N)c3;CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N","InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3","","2014-08-11","2015-03-13","3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile","2015-03-18"],["PHM","(3S)-3-amino-1-chloro-4-phenylbutan-2-one","C10 H12 Cl N O","ClCC(=O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(=O)CCl;c1ccc(cc1)CC(C(=O)CCl)N","InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1","","1999-07-08","2011-08-06","(3S)-3-amino-1-chloro-4-phenylbutan-2-one",""],["3E9","(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate","C15 H30 O7 P2","O=P(O)(O)OP(=O)(OCCC(C)CCC=C(/C)CCC=C(/C)C)O;C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1","","2014-08-11","2014-08-15","(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate","2014-08-20"],["PHN","1,10-PHENANTHROLINE","C12 H8 N2","n1c3c(ccc1)ccc2cccnc23;c1cnc2c(c1)ccc3cccnc23;c1cc2ccc3cccnc3c2nc1","InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H","","1999-07-08","2011-06-04","1,10-phenanthroline",""],["PHO","PHEOPHYTIN A","C55 H74 N4 O5","O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(=C5C)CC)C)C6C;CCc1c(C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C;CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c([nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C","InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1","","1999-07-08","2013-03-11","methyl (3S,4S,21R)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylate",""],["3EA","2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID","C24 H23 F3 N2 O5","O=C(O)Cn4ccc3cc(OCCCOc2ccc1c(onc1C(F)(F)F)c2CCC)ccc34;CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc4c1onc4C(F)(F)F;CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O","InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)","","2005-08-29","2011-06-04","[5-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propoxy)-1H-indol-1-yl]acetic acid",""],["3EB","3-(2-CARBOXYETHYL)BENZOIC ACID","C10 H10 O4","O=C(O)c1cccc(c1)CCC(=O)O;OC(=O)CCc1cccc(c1)C(O)=O;c1cc(cc(c1)C(=O)O)CCC(=O)O","InChI=1S/C10H10O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)(H,13,14)","","2013-05-28","2014-04-29","3-(2-carboxyethyl)benzoic acid","2013-09-18"],["PHP","(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID","C42 H51 N4 O8 P","O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)P(=O)(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[P](O)(=O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)OCc4ccccc4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)P(=O)(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4","InChI=1S/C42H51N4O8P/c1-29(2)37(45-41(49)53-27-33-21-13-7-14-22-33)39(47)43-35(25-31-17-9-5-10-18-31)55(51,52)36(26-32-19-11-6-12-20-32)44-40(48)38(30(3)4)46-42(50)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)/t35-,36-,37+,38+/m1/s1","","1999-07-08","2011-06-04","bis[(1R)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name)",""],["3EC","5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde","C8 H11 N O2 S","O=Cc1oc(cc1)CSCCN;NCCSCc1oc(C=O)cc1;c1cc(oc1CSCCN)C=O","InChI=1S/C8H11NO2S/c9-3-4-12-6-8-2-1-7(5-10)11-8/h1-2,5H,3-4,6,9H2","","2014-08-11","2014-11-07","5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde","2014-11-12"],["PHQ","benzyl chlorocarbonate","C8 H7 Cl O2","ClC(=O)OCc1ccccc1;ClC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)Cl","InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2","","1999-07-15","2024-09-27","benzyl carbonochloridate",""],["PHR","3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE","C16 H27 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCCCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O","InChI=1S/C16H27N4O11P/c21-8-10(23)12(24)9(22)7-20-13-11(14(25)18-15(26)17-13)19(16(20)27)5-3-1-2-4-6-31-32(28,29)30/h9-10,12,21-24H,1-8H2,(H2,28,29,30)(H2,17,18,25,26)/t9-,10-,12+/m1/s1","","2005-12-09","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[6-(phosphonooxy)hexyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",""],["3ED","6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one","C20 H24 Cl2 N4 O2","Clc1cccc(c1Cl)N1C(=O)C=C(N=C1C)N1CCC2(CC1)COC(C)C2N;C[CH]1OCC2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(Cl)c4Cl)[CH]1N;CC1C(C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N","InChI=1S/C20H24Cl2N4O2/c1-12-19(23)20(11-28-12)6-8-25(9-7-20)16-10-17(27)26(13(2)24-16)15-5-3-4-14(21)18(15)22/h3-5,10,12,19H,6-9,11,23H2,1-2H3/t12-,19+/m0/s1","","2021-07-04","2021-10-22","6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one","2021-10-27"],["3EE","4-(2-aminophenyl)-2,4-dioxobutanoic acid","C10 H9 N O4","O=C(c1ccccc1N)CC(=O)C(=O)O;Nc1ccccc1C(=O)CC(=O)C(O)=O;c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N","InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)","","2014-08-12","2014-09-19","4-(2-aminophenyl)-2,4-dioxobutanoic acid","2014-09-24"],["PHS","PHOSPHONIC ACID","H3 O3 P","O=P(O)O;O[PH](O)=O;OP(=O)O","InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)","","1999-07-08","2011-06-04","phosphonic acid",""],["3EF","N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine","C38 H38 N3 O9 P","O=C(O)C(NC(=O)C(CP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)Cc4onc(c3ccccc3)c4)Cc5ccc(O)cc5;OC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](Cc2onc(c2)c3ccccc3)C[P](O)(=O)[CH](Cc4ccccc4)NC(=O)OCc5ccccc5;c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(CC(Cc3cc(no3)c4ccccc4)C(=O)NC(Cc5ccc(cc5)O)C(=O)O)O","InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34+,35-/m1/s1","","2013-10-08","2013-12-06","N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine","2013-12-11"],["PHT","PHTHALIC ACID","C8 H6 O4","O=C(O)c1ccccc1C(=O)O;OC(=O)c1ccccc1C(O)=O;c1ccc(c(c1)C(=O)O)C(=O)O","InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)","","1999-07-08","2024-09-27","benzene-1,2-dicarboxylic acid",""],["PHU","1-phenylurea","C7 H8 N2 O","O=C(Nc1ccccc1)N;NC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)N","InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)","Phenylurea","2011-06-24","2020-06-17","1-phenylurea",""],["3EG","(2S)-2-amino-4,4,4-trifluorobutanoic acid","C4 H6 F3 N O2","FC(F)(F)CC(N)C(=O)O;N[CH](CC(F)(F)F)C(O)=O;C(C(C(=O)O)N)C(F)(F)F","InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1","","2011-10-13","2024-09-27","(2S)-2-amino-4,4,4-trifluorobutanoic acid",""],["PHV","N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide","C33 H40 N3 O8 P","O=C(NC(CCCOC)P(=O)(O)O)C4N(C(=O)C(NC(=O)OCc1ccccc1)C(c2ccccc2)c3ccccc3)CCC4;COCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC(=O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O)(O)=O;COCCCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O","InChI=1S/C33H40N3O8P/c1-43-22-12-20-28(45(40,41)42)34-31(37)27-19-11-21-36(27)32(38)30(35-33(39)44-23-24-13-5-2-6-14-24)29(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,13-18,27-30H,11-12,19-23H2,1H3,(H,34,37)(H,35,39)(H2,40,41,42)/t27-,28-,30+/m0/s1","","2011-03-21","2024-09-27","N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide",""],["3EH","3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate","C26 H34 N4 O5 S","O=C(OCCCN(CC)CC)Nc1cccc(c1)CN3N=C(c2cc(OC)c(OC)cc2)CSC3=O;CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c3ccc(OC)c(OC)c3)c1;CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC","InChI=1S/C26H34N4O5S/c1-5-29(6-2)13-8-14-35-25(31)27-21-10-7-9-19(15-21)17-30-26(32)36-18-22(28-30)20-11-12-23(33-3)24(16-20)34-4/h7,9-12,15-16H,5-6,8,13-14,17-18H2,1-4H3,(H,27,31)","","2014-08-12","2015-03-13","3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate","2015-03-18"],["3EI","4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol","C16 H12 N4 O S","Oc1ccc(Nc2scc(n2)c3cnc4ccccn34)cc1;c1ccn2c(c1)ncc2c3csc(n3)Nc4ccc(cc4)O","InChI=1S/C16H12N4OS/c21-12-6-4-11(5-7-12)18-16-19-13(10-22-16)14-9-17-15-3-1-2-8-20(14)15/h1-10,21H,(H,18,19)","","2021-06-24","2022-07-08","4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol","2022-07-13"],["PHW","N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide","C45 H48 N3 O9 P","O=C(NC(CC=COC)P(Oc1ccccc1)(Oc2ccccc2)(O)O)C6N(C(=O)C(NC(=O)OCc3ccccc3)C(c4ccccc4)c5ccccc5)CCC6;COC=CC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC(=O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O)(O)(Oc5ccccc5)Oc6ccccc6;COC=CCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6","InChI=1S/C45H48N3O9P/c1-54-32-18-30-40(58(52,53,56-37-25-13-5-14-26-37)57-38-27-15-6-16-28-38)46-43(49)39-29-17-31-48(39)44(50)42(47-45(51)55-33-34-19-7-2-8-20-34)41(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h2-16,18-28,32,39-42,52-53H,17,29-31,33H2,1H3,(H,46,49)(H,47,51)/b32-18+/t39-,40-,42+/m0/s1","","2001-02-07","2012-01-05","N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide",""],["3EJ","4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid","C22 H17 F N6 O3","Fc1cccc(c1)CNC(=O)c4nccc(c2nn(nn2)Cc3ccc(C(=O)O)cc3)c4;OC(=O)c1ccc(Cn2nnc(n2)c3ccnc(c3)C(=O)NCc4cccc(F)c4)cc1;c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O","InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)","","2009-10-29","2011-06-04","4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid",""],["PHX","4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID","C14 H14 N2 O4","O=C1OC(=NC1=CNCCCC(=O)O)c2ccccc2;OC(=O)CCCNC=C1N=C(OC1=O)c2ccccc2;c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2","InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18)","","2006-04-09","2014-09-05","4-{[(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid",""],["PHY","1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID","C6 H15 N O7 P2","O=P(OP(=O)(O)O)(C(N)C)CC(C(=O)O)C;C[CH](N)[P](=O)(C[CH](C)C(O)=O)O[P](O)(O)=O;CC(CP(=O)(C(C)N)OP(=O)(O)O)C(=O)O","InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1","","1999-07-08","2011-06-04","(2R)-3-[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]-2-methylpropanoic acid",""],["3EK","trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid","C24 H26 F N5 O3","Fc1ccc(cc1)CNC(=O)c4nc(cc(c2ncn(n2)CC3CCC(C(=O)O)CC3)c4)C;Cc1cc(cc(n1)C(=O)NCc2ccc(F)cc2)c3ncn(C[CH]4CC[CH](CC4)C(O)=O)n3;Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O","InChI=1S/C24H26FN5O3/c1-15-10-19(11-21(28-15)23(31)26-12-16-4-8-20(25)9-5-16)22-27-14-30(29-22)13-17-2-6-18(7-3-17)24(32)33/h4-5,8-11,14,17-18H,2-3,6-7,12-13H2,1H3,(H,26,31)(H,32,33)/t17-,18-","(1r,4r)-4-((3-(2((4-fluorobenzyl)carbamoyl)-6-methylpyridin-4-yl)-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid","2009-10-29","2021-03-13","trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid",""],["PHZ","1-PHENYLHYDRAZINE","C6 H8 N2","NNc1ccccc1;NNc1ccccc1;c1ccc(cc1)NN","InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2","phenyldiazane; PHENYLHYDRAZINE","2005-07-29","2025-07-17","phenylhydrazine",""],["3EL","N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide","C31 H30 N6 O3 S","O=S(=O)(c1ccccc1)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)cc6;N[CH]1CC[CH](CC1)Nc2nccc(n2)c3cccnc3Oc4ccc(N[S](=O)(=O)c5ccccc5)c6ccccc46;c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N","InChI=1S/C31H30N6O3S/c32-21-12-14-22(15-13-21)35-31-34-20-18-27(36-31)26-11-6-19-33-30(26)40-29-17-16-28(24-9-4-5-10-25(24)29)37-41(38,39)23-7-2-1-3-8-23/h1-11,16-22,37H,12-15,32H2,(H,34,35,36)/t21-,22-","","2014-07-31","2014-10-03","N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide","2014-10-08"],["3EM","N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide","C43 H51 N5 O8 S","O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)OCC=3c4ccc(N(CC)CC)cc4OC(=O)C=3)C(C)C)Cc5ccccc5;CCN(CC)c1ccc2C(=CC(=O)Oc2c1)COC(=O)N[CH](C(C)C)C(=O)N[CH](C[CH](O)[CH](Cc3ccccc3)NC(=O)OCc4scnc4)Cc5ccccc5;CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)NC(C(C)C)C(=O)NC(Cc3ccccc3)CC(C(Cc4ccccc4)NC(=O)OCc5cncs5)O","InChI=1S/C43H51N5O8S/c1-5-48(6-2)33-17-18-35-31(21-39(50)56-38(35)23-33)25-54-43(53)47-40(28(3)4)41(51)45-32(19-29-13-9-7-10-14-29)22-37(49)36(20-30-15-11-8-12-16-30)46-42(52)55-26-34-24-44-27-57-34/h7-18,21,23-24,27-28,32,36-37,40,49H,5-6,19-20,22,25-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)/t32-,36-,37-,40-/m0/s1","","2014-08-01","2015-03-20","N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide","2015-03-25"],["PI","HYDROGENPHOSPHATE ION","H O4 P","[O-]P([O-])(=O)O;O[P]([O-])([O-])=O;OP(=O)([O-])[O-]","InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2","","1999-07-08","2024-09-27","hydrogen phosphate",""],["PI0","(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide","C26 H36 N6 O5 S","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)C(C)CC)Cc2ccccc2;CC[CH](C)[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N[CH](CCC(N)=O)C(=O)NCc2ccc(cc2)C(N)=N;[H]N=C(c1ccc(cc1)CNC(=O)C(CCC(=O)N)NC(=O)C(C(C)CC)NS(=O)(=O)Cc2ccccc2)N","InChI=1S/C26H36N6O5S/c1-3-17(2)23(32-38(36,37)16-19-7-5-4-6-8-19)26(35)31-21(13-14-22(27)33)25(34)30-15-18-9-11-20(12-10-18)24(28)29/h4-12,17,21,23,32H,3,13-16H2,1-2H3,(H2,27,33)(H3,28,29)(H,30,34)(H,31,35)/t17-,21+,23-/m1/s1","","2008-06-30","2011-06-04","N-(benzylsulfonyl)-D-isoleucyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide",""],["3EN","N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide","C28 H36 N4 O4 S","O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(N)C(C)C)Cc3ccccc3;CC(C)[CH](N)C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OCc2scnc2)Cc3ccccc3;CC(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)OCc3cncs3)O)N","InChI=1S/C28H36N4O4S/c1-19(2)26(29)27(34)31-22(13-20-9-5-3-6-10-20)15-25(33)24(14-21-11-7-4-8-12-21)32-28(35)36-17-23-16-30-18-37-23/h3-12,16,18-19,22,24-26,33H,13-15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t22-,24-,25-,26-/m0/s1","","2014-08-01","2015-03-20","N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide","2015-03-25"],["3EO","(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide","C37 H46 N6 O7 S2","O=S(=O)(NC(=O)C12NC(=O)N3C(C(=O)N(C)CCCCC=CC2C1)CC3COc5cc(nc4cc(OC)ccc45)c6nc(cs6)C(C)C)C7(C)CC7;COc1ccc2c(OC[CH]3C[CH]4N3C(=O)N[C]5(C[CH]5C=CCCCCN(C)C4=O)C(=O)N[S](=O)(=O)C6(C)CC6)cc(nc2c1)c7scc(n7)C(C)C;CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OCC4CC5N4C(=O)NC6(CC6C=CCCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C","InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24+,30+,37-/m1/s1","","2014-08-01","2014-09-05","(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide","2014-09-10"],["PI1","1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL] -PYRROLIDINE-2-CARBOXYLIC ACID [1-(1-CARBAMOYL-2-METHYL-PROPYLCARBAMOYL) -2-METHYL-BUTYL]-AMIDE","C34 H53 N7 O8","O=C(N)C(NC(=O)C(NC(=O)C1N(CCC1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N)C(C)CC)C(C)C;CC[CH](C)[CH](NC(=O)[CH]1CCCN1C[CH](O)[CH]2Cc3ccc(OCCCC(=O)N[CH](CC(N)=O)C(=O)N2)cc3)C(=O)N[CH](C(C)C)C(N)=O;CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCCN1CC(C2Cc3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC(=O)N)O","InChI=1S/C34H53N7O8/c1-5-20(4)30(34(48)39-29(19(2)3)31(36)45)40-33(47)25-8-6-14-41(25)18-26(42)23-16-21-10-12-22(13-11-21)49-15-7-9-28(44)37-24(17-27(35)43)32(46)38-23/h10-13,19-20,23-26,29-30,42H,5-9,14-18H2,1-4H3,(H2,35,43)(H2,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,47)/t20-,23-,24-,25-,26-,29-,30-/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1","1999-07-08","2013-03-04","1-{(2S)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-L-prolyl-L-isoleucyl-L-valinamide",""],["PI2","2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL] -6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-\n1(16),13(17),14-TRIEN-8-YL}-ACETAMIDE","C23 H36 N4 O5","O=C1NC(C(O)CNCCC(C)C)Cc2ccc(OCCCC(=O)NC1CC(=O)N)cc2;CC(C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH](CC(N)=O)C(=O)N1)cc2;CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O)N1)CC(=O)N)O","InChI=1S/C23H36N4O5/c1-15(2)9-10-25-14-20(28)18-12-16-5-7-17(8-6-16)32-11-3-4-22(30)26-19(13-21(24)29)23(31)27-18/h5-8,15,18-20,25,28H,3-4,9-14H2,1-2H3,(H2,24,29)(H,26,30)(H,27,31)/t18-,19-,20+/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 2","1999-07-08","2020-06-17","2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide",""],["3EP","TRIETHYLPHOSPHANE","C6 H15 P","P(CC)(CC)CC;CCP(CC)CC;CCP(CC)CC","InChI=1S/C6H15P/c1-4-7(5-2)6-3/h4-6H2,1-3H3","","2000-06-09","2011-06-04","triethylphosphane",""],["PI3","11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10-\nDIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE","C24 H39 N3 O4","O=C1NC(C(O)CNCCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2;CC(C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH](C(C)C)C(=O)N1)cc2;CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O)N1)C(C)C)O","InChI=1S/C24H39N3O4/c1-16(2)11-12-25-15-21(28)20-14-18-7-9-19(10-8-18)31-13-5-6-22(29)27-23(17(3)4)24(30)26-20/h7-10,16-17,20-21,23,25,28H,5-6,11-15H2,1-4H3,(H,26,30)(H,27,29)/t20-,21+,23-/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3","1999-07-08","2020-06-17","(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-8-(1-methylethyl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione",""],["3EQ","[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid","C30 H31 N O5 S2","O=C(O)COc2c1c(cccc1)c(cc2)S(=O)(=O)N(c4cccc(c3ccc(SC)cc3)c4C)CCCC;CCCCN(c1cccc(c1C)c2ccc(SC)cc2)[S](=O)(=O)c3ccc(OCC(O)=O)c4ccccc34;CCCCN(c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O","InChI=1S/C30H31NO5S2/c1-4-5-19-31(27-12-8-11-24(21(27)2)22-13-15-23(37-3)16-14-22)38(34,35)29-18-17-28(36-20-30(32)33)25-9-6-7-10-26(25)29/h6-18H,4-5,19-20H2,1-3H3,(H,32,33)","","2010-11-01","2011-10-07","[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid",""],["3ER","(2S)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid","C9 H10 Cl N O4 S","Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)O;C[S](=O)(=O)N[CH](C(O)=O)c1cccc(Cl)c1;CS(=O)(=O)NC(c1cccc(c1)Cl)C(=O)O","InChI=1S/C9H10ClNO4S/c1-16(14,15)11-8(9(12)13)6-3-2-4-7(10)5-6/h2-5,8,11H,1H3,(H,12,13)/t8-/m0/s1","","2014-08-12","2014-09-05","(2S)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid","2014-09-10"],["PI4","1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE","C28 H43 N5 O6","O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N;CC(C)(C)NC(=O)[CH]1CCCCN1C[CH](O)[CH]2Cc3ccc(OCCCC(=O)N[CH](CC(N)=O)C(=O)N2)cc3;CC(C)(C)NC(=O)C1CCCCN1CC(C2Cc3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC(=O)N)O","InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4","1999-07-08","2021-03-01","(2S)-1-{(2R)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-N-tert-butylpiperidine-2-carboxamide",""],["3ES","[(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-{[(BENZYLOXY)[(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-CARBONYL]-AMINO}ETHYL)PHOSPHINYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]-1-OXO-PROPYL}AMINO)-3-(4-HYDROXY-PHENYL)","C38 H38 N3 O9 P","OC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](Cc2onc(c2)c3ccccc3)C[P](O)(=O)[CH](Cc4ccccc4)NC(=O)OCc5ccccc5;c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(CC(Cc3cc(no3)c4ccccc4)C(=O)NC(Cc5ccc(cc5)O)C(=O)O)O","InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34-,35+/m0/s1","","2010-11-17","2012-04-02","(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-2-[[hydroxy-[(1R)-2-phenyl-1-phenylmethoxycarbonylamino-ethyl]phosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]amino]propanoic acid",""],["PI5","N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE","C37 H53 N5 O7","O=C1N(CCC1)C(C(=O)NC(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCCOc3ccc(cc3)C4)C(C)CC)C(C)C;CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O)[CH](Cc3ccc(O)cc3)NC(=O)[CH](C(C)C)N4CCCC4=O;CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3ccc(cc3)O)NC(=O)C(C(C)C)N4CCCC4=O)O","InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24-,29-,30-,31+,33-,34-/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5","1999-07-08","2021-03-01","(2S)-N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide",""],["PI6","[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER","C33 H48 N4 O6","O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC;CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C;CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O","InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6","1999-07-08","2021-03-01","tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["3ET","O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine","C16 H21 N3 O10","O=C(OCC(N)C(=O)OCC(C(=O)O)NC(=O)c1cccc(O)c1O)C(N)CO;N[CH](CO)C(=O)OC[CH](N)C(=O)OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(COC(=O)C(COC(=O)C(CO)N)N)C(=O)O","InChI=1S/C16H21N3O10/c17-8(4-20)15(26)28-5-9(18)16(27)29-6-10(14(24)25)19-13(23)7-2-1-3-11(21)12(7)22/h1-3,8-10,20-22H,4-6,17-18H2,(H,19,23)(H,24,25)/t8-,9-,10+/m1/s1","","2009-06-26","2011-06-04","O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine",""],["3EU","(3,5-dichlorophenyl)acetic acid","C8 H6 Cl2 O2","Clc1cc(cc(Cl)c1)CC(=O)O;OC(=O)Cc1cc(Cl)cc(Cl)c1;c1c(cc(cc1Cl)Cl)CC(=O)O","InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)","","2014-08-12","2014-09-05","(3,5-dichlorophenyl)acetic acid","2014-09-10"],["PI7","N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]\nHEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE","C36 H53 N5 O7","O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C(C)C)CC;CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O)[CH](Cc3ccc(O)cc3)NC(=O)[CH](NC(=O)CC)C(C)C;CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3ccc(cc3)O)NC(=O)C(C(C)C)NC(=O)CC)O","InChI=1S/C36H53N5O7/c1-6-23(5)33-35(46)37-17-8-18-48-27-15-11-25(12-16-27)20-29(34(45)41-33)38-21-30(43)28(19-24-9-13-26(42)14-10-24)39-36(47)32(22(3)4)40-31(44)7-2/h9-16,22-23,28-30,32-33,38,42-43H,6-8,17-21H2,1-5H3,(H,37,46)(H,39,47)(H,40,44)(H,41,45)/t23-,28-,29-,30+,32-,33-/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7","1999-07-08","2020-06-17","N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-N~2~-propanoyl-L-valinamide",""],["3EV","(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol","C27 H44 O3","OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1","1alpha,25-dihydroxy-3-epi-vitamin D3","2009-09-30","2020-06-17","(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["PI8","N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE","C41 H54 N4 O6","O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)C5)C(C)CC;CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCCCNC1=O)cc2)NC[CH](O)C[CH](Cc3ccccc3)C(=O)N[CH]4[CH](O)Cc5ccccc45;CCC(C)C1C(=O)NCCCCCOc2ccc(cc2)CC(C(=O)N1)NCC(CC(Cc3ccccc3)C(=O)NC4c5ccccc5CC4O)O","InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27-,31+,32-,35-,36+,37-,38-/m0/s1","MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8","1999-10-07","2021-03-01","(2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(10S,13S)-10-[(1S)-1-methylpropyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]amino}pentanamide (non-preferred name)",""],["PI9","(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE","C32 H48 N4 O6 S","O=S(=O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C;CC(C)CCN(C[CH](O)[CH]1Cc2ccc(OCCCCCC(=O)N[CH](C(C)C)C(=O)N1)cc2)[S](=O)(=O)c3ccc(N)cc3;CC(C)CCN(CC(C1Cc2ccc(cc2)OCCCCCC(=O)NC(C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N","InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1","","1999-10-07","2011-06-04","4-amino-N-{(2R)-2-hydroxy-2-[(10S,13S)-10-(1-methylethyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide",""],["3EW","5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide","C17 H15 Br Cl F N4 O3","Brc1ccc(c(Cl)c1)Nc2c(F)c3ncn(c3cc2C(=O)NOCCO)C;Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO;Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO","InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)","","2014-08-04","2021-03-12","5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide","2014-09-24"],["3EX","3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide","C19 H18 F N3 O4","Fc1cc(ccc1Nc2c3c(oc2C(=O)NOCCO)ccnc3)C4CC4;OCCONC(=O)c1oc2ccncc2c1Nc3ccc(cc3F)C4CC4;c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO","InChI=1S/C19H18FN3O4/c20-14-9-12(11-1-2-11)3-4-15(14)22-17-13-10-21-6-5-16(13)27-18(17)19(25)23-26-8-7-24/h3-6,9-11,22,24H,1-2,7-8H2,(H,23,25)","","2014-08-04","2014-09-19","3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide","2014-09-24"],["PIA","[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C14 H15 N3 O4","O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2;C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N","InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1","","2001-06-22","2024-09-27","[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["PIB","2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL\nBUTANOATE","C17 H32 O16 P2","O=C(OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)O)CCC;CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC","InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14+,15+,16+,17-/m0/s1","D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO","2001-06-15","2020-06-17","(2S)-3-{[(S)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate",""],["3EY","8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide","C19 H19 F N4 O3","Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4;OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4;c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO","InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)","","2014-08-04","2014-09-19","8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide","2014-09-24"],["3EZ","N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide","C34 H32 N6 O2","O=C(Nc2cc(C1=NCCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc6cc(C5=NCCCN5)ccc6;O=C(Nc1cccc(c1)C2=NCCCN2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCCN6;c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6","InChI=1S/C34H32N6O2/c41-33(39-29-7-1-5-27(21-29)31-35-17-3-18-36-31)25-13-9-23(10-14-25)24-11-15-26(16-12-24)34(42)40-30-8-2-6-28(22-30)32-37-19-4-20-38-32/h1-2,5-16,21-22H,3-4,17-20H2,(H,35,36)(H,37,38)(H,39,41)(H,40,42)","","2014-08-05","2015-01-30","N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide","2015-02-04"],["PIC","6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID","C12 H9 F2 O5 P","FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O;OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O;c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O","InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)","","1999-08-25","2011-06-04","6-[difluoro(phosphono)methyl]naphthalene-2-carboxylic acid",""],["PID","PERIDININ","C39 H50 O7","O=C(OC4CC(C(=C=CC(=CC=CC=CC=C(C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)CC2(C)C)C)C)C(O)(C)C4)(C)C)C;CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C)[C](C)(O)C1;CC(=CC=CC=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(C)C","InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17-,30-,32-,37+,38+,39-/m0/s1","","1999-07-08","2011-06-04","(1S,3R,4R)-3-hydroxy-4-{(3E,5E,7E,9E,11Z)-11-[4-{(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]ethenyl}-5-oxofuran-2(5H)-ylidene]-3,10-dimethylundeca-1,3,5,7,9-pentaen-1-ylidene}-3,5,5-trimethylcyclohexyl acetate",""],["3F0","2-azanyl-3-fluoranyl-benzoic acid","C7 H6 F N O2","Fc1cccc(C(=O)O)c1N;Nc1c(F)cccc1C(O)=O;c1cc(c(c(c1)F)N)C(=O)O","InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)","3-fluoroanthranilate","2014-02-05","2021-03-01","2-amino-3-fluorobenzoic acid","2014-04-23"],["PIE","1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol","C43 H80 O13 P","O=C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41-,42-,43-/m1/s1","","2002-09-09","2025-12-15","(2R)-3-(hexadecanoyloxy)-2-[(9E)-octadec-9-enoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate",""],["3F1","N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide","C21 H21 N O3 S2","Cc1ccc(cc1)[S](=O)(=O)N=[S](C)c2ccc(OCc3ccccc3)cc2;Cc1ccc(cc1)S(=O)(=O)N=S(C)c2ccc(cc2)OCc3ccccc3","InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/t26-/m1/s1","N-{[4-(benzyloxy)phenyl](methyl)-lambda}-4-methylbenzenesulfonamide","2010-01-18","2020-06-17","4-methyl-N-[(R)-methyl-(4-phenylmethoxyphenyl)-$l^{4}-sulfanylidene]benzenesulfonamide",""],["PIF","(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate","C25 H48 O16 P2","O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC","InChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20-,21+,22-,23-,24+,25+/m1/s1","L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE; D(+)SN1,2DI-O-OCTANOYLGLYCERYL","2010-05-11","2020-05-27","(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate",""],["3F2","N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide","C32 H28 N6 O2","O=C(Nc2cc(C1=NCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6;O=C(Nc1cccc(c1)C2=NCCN2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6;c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6","InChI=1S/C32H28N6O2/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)","BPH-1358","2014-08-05","2021-03-01","N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide","2015-02-04"],["PIG","2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL","C6 H14 O4","OCCOCCOCCO;OCCOCCOCCO;C(COCCOCCO)O","InChI=1/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2","","1999-07-08","2008-10-14","2,2'-[ethane-1,2-diylbis(oxy)]diethanol",""],["3F3","4-[(2-{5-[(3-METHOXYPHENYL)METHYL]-1,3,4-OXADIAZOL-2-YL}-1-BENZOTHIOPHEN-3-YL)OXY]PIPERIDINE","C23 H23 N3 O3 S","O(c1cccc(c1)Cc2nnc(o2)c5sc3ccccc3c5OC4CCNCC4)C;COc1cccc(Cc2oc(nn2)c3sc4ccccc4c3OC5CCNCC5)c1;COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5","InChI=1S/C23H23N3O3S/c1-27-17-6-4-5-15(13-17)14-20-25-26-23(29-20)22-21(28-16-9-11-24-12-10-16)18-7-2-3-8-1918)30-22/h2-8,13,16,24H,9-12,14H2,1H3","","2013-10-08","2014-04-28","4-({2-[5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophen-3-yl}oxy)piperidine","2014-04-02"],["3F4","2-(4-hydroxyphenyl)-3H-quinazolin-4-one","C14 H10 N2 O2","O=C2c3ccccc3N=C(c1ccc(O)cc1)N2;Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O","InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)","","2013-06-20","2014-09-05","2-(4-hydroxyphenyl)quinazolin-4(3H)-one","2013-10-30"],["PIH","iodobenzene","C6 H5 I","Ic1ccccc1;Ic1ccccc1;c1ccc(cc1)I","InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H","","2000-07-13","2021-01-05","iodobenzene",""],["3F5","5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine","C13 H19 N7 O5","O=C(N)COCC3OC(n2c(nc1c(ncnc12)N)NC)C(O)C3O;CNc1nc2c(N)ncnc2n1[CH]3O[CH](COCC(N)=O)[CH](O)[CH]3O;CNc1nc2c(ncnc2n1C3C(C(C(O3)COCC(=O)N)O)O)N","InChI=1S/C13H19N7O5/c1-16-13-19-7-10(15)17-4-18-11(7)20(13)12-9(23)8(22)5(25-12)2-24-3-6(14)21/h4-5,8-9,12,22-23H,2-3H2,1H3,(H2,14,21)(H,16,19)(H2,15,17,18)/t5-,8-,9-,12-/m1/s1","","2010-03-17","2011-06-04","5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine",""],["PII","2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE","C42 H81 O13 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OC1C(O)C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40-,41-,42-/m1/s1","","2002-05-24","2011-06-04","(1R)-2-(hexadecanoyloxy)-1-({[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}methyl)ethyl heptadecanoate",""],["3F6","2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole]","C30 H28 N6","N7=C(c1cc6c(cc1)cc(c5ccc(c4cc3ccc(C2=NCCCN2)cc3n4)cc5)n6)NCCC7;C1CNC(=NC1)c2ccc3cc([nH]c3c2)c4ccc(cc4)c5[nH]c6cc(ccc6c5)C7=NCCCN7;c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7","InChI=1S/C30H28N6/c1-11-31-29(32-12-1)23-9-7-21-15-25(35-27(21)17-23)19-3-5-20(6-4-19)26-16-22-8-10-24(18-28(22)36-26)30-33-13-2-14-34-30/h3-10,15-18,35-36H,1-2,11-14H2,(H,31,32)(H,33,34)","","2014-08-05","2015-01-30","2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole]","2015-02-04"],["PIJ","[(2S)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] heptadecanoate","C42 H81 O13 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40+,41-,42-/m0/s1","","2011-03-08","2024-10-18","(2S)-1-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl heptadecanoate","2024-10-23"],["3F7","1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)","C14 H8 N2 O4","O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O;O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O;c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O","InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H","","2014-08-06","2024-09-27","1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)","2014-12-10"],["PIK","(2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate","C41 H81 O19 P3","O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36+,37-,38-,39+,40+,41+/m0/s1","PI(4,5)P2  dipalmitoyl (16:0,16:0)","2014-06-11","2021-03-13","(2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate","2014-07-30"],["3F8","1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)","C14 H16 N2 O6","O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O;O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O;C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O","InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2","","2014-08-07","2024-09-27","1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)","2014-12-10"],["PIL","3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE","C18 H18 Cl2 N2 O3","Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3;COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl;COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl","InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)","PICLAMILAST","2004-11-17","2021-03-01","3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide",""],["PIM","4-PHENYL-1H-IMIDAZOLE","C9 H8 N2","n2cc(c1ccccc1)nc2;[nH]1cncc1c2ccccc2;c1ccc(cc1)c2cnc[nH]2","InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)","","1999-07-08","2011-06-04","5-phenyl-1H-imidazole",""],["3F9","N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide","C29 H34 N2 O2","O=C(c2cc1ccccc1cc2)N(CCOC)CC5CCCN(C4Cc3ccccc3C4)C5;COCCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4;COCCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4","InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3/t22-/m1/s1","","2014-08-07","2014-10-17","N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide","2014-10-22"],["PIN","PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID)","C8 H18 N2 O6 S2","O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1;O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O;C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O","InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)","PIPES; 1,4-PIPERAZINEDIETHANESULFONIC ACID","1999-07-08","2020-06-17","2,2'-piperazine-1,4-diyldiethanesulfonic acid",""],["3FA","3-FLUOROBENZENE-1,2-DIOL","C6 H5 F O2","Fc1cccc(O)c1O;Oc1cccc(F)c1O;c1cc(c(c(c1)F)O)O","InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H","3-FLUOROCATECHOL","2005-09-06","2021-03-01","3-fluorobenzene-1,2-diol",""],["PIO","[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate","C25 H49 O19 P3","O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC","InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1","dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate","2000-12-01","2021-03-13","(2R)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate",""],["3FB","(3S)-3-AMINO-4-PHENYLBUTANOIC ACID","C10 H13 N O2","O=C(O)CC(N)Cc1ccccc1;N[CH](CC(O)=O)Cc1ccccc1;c1ccc(cc1)CC(CC(=O)O)N","InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1","","2002-08-05","2024-09-27","(3S)-3-amino-4-phenylbutanoic acid",""],["PIP","PIPERIDINE","C5 H11 N","N1CCCCC1;C1CCNCC1;C1CCNCC1","InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2","","1999-07-08","2024-09-27","piperidine",""],["3FC","(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE","C26 H32 F3 N5 O7","O=C3OCCN3NC(=O)C(=O)C(NC(=O)OC(Cc1nnc(o1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)CCCC;CCCC[CH](NC(=O)O[CH](Cc1oc(nn1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN3CCOC3=O;CCCCC(C(=O)C(=O)NN1CCOC1=O)NC(=O)OC(Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C","InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1","","2005-03-14","2024-09-27","(1R)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl [(1S)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentyl]carbamate",""],["PIQ","2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE","C13 H12 N4","n1cc(cc2c1nc(n2C)N)c3ccccc3;Cn1c(N)nc2ncc(cc12)c3ccccc3;Cn1c2cc(cnc2nc1N)c3ccccc3","InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)","","2001-01-31","2011-06-04","1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine",""],["3FD","4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile","C25 H23 Cl2 N7 O4","Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)COCc5ccc(C#N)cc5)N;Nc1ncnc2n([CH]3O[CH](COCc4ccc(cc4)C#N)[CH](O)[CH]3O)c(NCc5ccc(Cl)c(Cl)c5)nc12;c1cc(ccc1COCC2C(C(C(O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N","InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1","","2009-01-28","2011-06-04","5'-O-(4-cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine",""],["PIR","2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL","C11 H16 N2 O3","OC2C(c1ccc(N)cc1)NC(CO)C2O;Nc1ccc(cc1)[CH]2N[CH](CO)[CH](O)[CH]2O;c1cc(ccc1C2C(C(C(N2)CO)O)O)N","InChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1","","1999-07-08","2011-06-04","(2S,3S,4R,5R)-2-(4-aminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol",""],["3FE","3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile","C17 H15 N5 O","N#Cc1cccc(c1)c3c2c(ncnc2nc3)N4CCOCC4;N#Cc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23;c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N","InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)","","2014-08-07","2015-03-13","3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile","2015-03-18"],["PIS","TRIHYDROGEN THIODIPHOSPHATE","H3 O6 P2 S","[S-]P(=O)(O)OP(=O)(O)O;O[P](O)(=O)O[P](O)([S-])=O;OP(=O)(O)OP(=O)(O)[S-]","InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1","THIOPYROPHOSPHATE","2004-06-29","2021-03-01","trihydrogen thiodiphosphate",""],["3FF","2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one","C24 H21 F2 N O4","Fc1ccc(c(F)c1)Nc4cc3c(C(=O)c2c(ccc(OCC(O)CO)c2)CC3)cc4;OC[CH](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1;c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OCC(CO)O","InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1","","2011-03-10","2012-01-13","2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one",""],["PIT","PICEATANNOL","C14 H12 O4","Oc2ccc(C=Cc1cc(O)cc(O)c1)cc2O;Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1;c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O","InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+","4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL","2007-07-05","2021-03-13","4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol",""],["3FG","(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid","C8 H9 N O4","O=C(O)C(c1cc(O)cc(O)c1)N;N[CH](C(O)=O)c1cc(O)cc(O)c1;c1c(cc(cc1O)O)C(C(=O)O)N","InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1","","2009-03-27","2024-09-27","(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid",""],["3FH","1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione","C6 H4 F3 N O S","S=C1C(=CC=CN1O)C(F)(F)F;ON1C=CC=C(C1=S)C(F)(F)F;C1=CN(C(=S)C(=C1)C(F)(F)F)O","InChI=1S/C6H4F3NOS/c7-6(8,9)4-2-1-3-10(11)5(4)12/h1-3,11H","","2014-04-29","2015-03-06","1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione","2015-03-11"],["PIU","1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM","C16 H21 N2 O2 S","O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C;Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(C)c1;Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1","1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM","2005-04-22","2021-03-13","2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridinium",""],["3FI","3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid","C16 H18 N4 O5","O=C1NC(=CC(=O)N1)CNCCCON=Cc2cccc(C(=O)O)c2;OC(=O)c1cccc(C=NOCCCNCC2=CC(=O)NC(=O)N2)c1;c1cc(cc(c1)C(=O)O)C=NOCCCNCC2=CC(=O)NC(=O)N2","InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-17-5-2-6-25-18-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-9,17H,2,5-6,10H2,(H,22,23)(H2,19,20,21,24)/b18-9+","","2008-11-24","2011-06-04","3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid",""],["PIV","PIVALIC ACID","C5 H10 O2","O=C(O)C(C)(C)C;CC(C)(C)C(O)=O;CC(C)(C)C(=O)O","InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)","","1999-07-08","2024-09-27","2,2-dimethylpropanoic acid",""],["PIW","1-phenyl-1H-imidazole","C9 H8 N2","n2ccn(c1ccccc1)c2;c1ccc(cc1)n2ccnc2;c1ccc(cc1)n2ccnc2","InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H","","2010-06-08","2011-06-04","1-phenyl-1H-imidazole",""],["3FK","(2R)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid","C10 H11 Cl2 N O2","Clc1cc(cc(Cl)c1)C(C(=O)O)N(C)C;CN(C)[CH](C(O)=O)c1cc(Cl)cc(Cl)c1;CN(C)C(c1cc(cc(c1)Cl)Cl)C(=O)O","InChI=1S/C10H11Cl2NO2/c1-13(2)9(10(14)15)6-3-7(11)5-8(12)4-6/h3-5,9H,1-2H3,(H,14,15)/t9-/m1/s1","","2014-08-12","2014-09-05","(2R)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid","2014-09-10"],["PIX","4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid","C19 H19 F3 N2 O3","FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O)O)CC3;OC(=O)N1CCC(CC1)Cc2cccc(Oc3ccc(cn3)C(F)(F)F)c2;c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O","InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-5-17(23-12-15)27-16-3-1-2-14(11-16)10-13-6-8-24(9-7-13)18(25)26/h1-5,11-13H,6-10H2,(H,25,26)","","2009-02-11","2024-09-27","4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid",""],["3FL","3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid","C17 H22 N4 O4","O=C1NC(=CC(=O)N1)CNCCCCNCc2cc(C(=O)O)ccc2;OC(=O)c1cccc(CNCCCCNCC2=CC(=O)NC(=O)N2)c1;c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2","InChI=1S/C17H22N4O4/c22-15-9-14(20-17(25)21-15)11-19-7-2-1-6-18-10-12-4-3-5-13(8-12)16(23)24/h3-5,8-9,18-19H,1-2,6-7,10-11H2,(H,23,24)(H2,20,21,22,25)","","2008-11-24","2011-06-04","3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid",""],["3FM","3-O-carbamoyl-alpha-D-mannopyranose","C7 H13 N O7","O=C(OC1C(O)C(OC(O)C1O)CO)N;NC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;C(C1C(C(C(C(O1)O)O)OC(=O)N)O)O","InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1","3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE; 3-O-carbamoyl-alpha-D-mannose; 3-O-carbamoyl-D-mannose; 3-O-carbamoyl-mannose","1999-07-16","2020-07-17","3-O-carbamoyl-alpha-D-mannopyranose",""],["PIY","2-phenyl-1H-imidazole","C9 H8 N2","n1ccnc1c2ccccc2;[nH]1ccnc1c2ccccc2;c1ccc(cc1)c2[nH]ccn2","InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)","","2010-06-08","2011-06-04","2-phenyl-1H-imidazole",""],["PIZ","(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane\n-1,2-diyl dihexadecanoate","C41 H82 O22 P4","O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41-/m0/s1","PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)","2014-06-11","2020-06-17","(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate","2014-07-30"],["3FN","6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one","C19 H18 F2 N4 O3","Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC3CCOCC3)C)c(F)c4;CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccc(F)cc4F;CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F","InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)","","2008-12-29","2011-06-04","6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one",""],["PJ0","3-methyl-1,5-naphthyridin-2-amine","C9 H9 N3","Cc1cc2ncccc2nc1N;Cc1cc2ncccc2nc1N;Cc1cc2c(cccn2)nc1N","InChI=1S/C9H9N3/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3,(H2,10,12)","","2022-05-26","2022-09-30","3-methyl-1,5-naphthyridin-2-amine","2022-10-05"],["3FO","N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide","C22 H26 Cl N5 O5 S","Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2;C[S](=O)(=O)N[CH](C(=O)N[CH](Cc1ccccc1)C(=O)NCC(=O)NCC=N)c2cccc(Cl)c2;CS(=O)(=O)NC(c1cccc(c1)Cl)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NCC=N","InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1","","2014-08-11","2024-09-27","N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide","2014-09-10"],["PJ1","(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol","C13 H16 Cl N3 O","c1(ccc(cc1)Cl)N(CC(Cn2ccnc2)O)C;CN(C[CH](O)Cn1ccnc1)c2ccc(Cl)cc2;CN(CC(Cn1ccnc1)O)c2ccc(cc2)Cl","InChI=1S/C13H16ClN3O/c1-16(12-4-2-11(14)3-5-12)8-13(18)9-17-7-6-15-10-17/h2-7,10,13,18H,8-9H2,1H3/t13-/m1/s1","","2019-08-07","2020-10-02","(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol","2020-10-07"],["3FP","(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL","C22 H23 F4 N5 O2","FC(F)(F)c1cc(c(F)cc1)Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3;CN(C)C[CH](O)COc1ccc(Nc2cc(Nc3cc(ccc3F)C(F)(F)F)ncn2)cc1;CN(C)CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O","InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1","1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL","2002-06-11","2020-06-17","(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol",""],["3FQ","(2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL","C22 H25 F4 N5 O3","FC(F)(F)c1cc(c(F)cc1)NC3(O)N=CNC(Nc2ccc(OCC(O)CN(C)C)cc2)=C3;CN(C)C[CH](O)COc1ccc(NC2=C[C](O)(Nc3cc(ccc3F)C(F)(F)F)N=CN2)cc1;CN(C)CC(COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O","InChI=1S/C22H25F4N5O3/c1-31(2)11-16(32)12-34-17-6-4-15(5-7-17)29-20-10-21(33,28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,29-30,32-33H,11-12H2,1-2H3,(H,27,28)/t16-,21+/m0/s1","1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL","2002-06-11","2021-03-01","(4S)-6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]-4-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}-1,4-dihydropyrimidin-4-ol",""],["PJ2","(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid","C20 H30 O4","O=C(O)CCC/C=CCC1C=CC(=O)C1=C/CC(O)CCCCC;CCCCC[CH](O)CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O;CCCCCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O","InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1","delta12-prostaglandine J2","2009-09-29","2021-03-01","(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid",""],["3FR","3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide","C28 H24 Cl N5 O","O=C(N)c1ccccc1c2cc(cc(Cl)c2)n5nc(c3c5cc(nc3)NC(c4ccccc4)C)C;C[CH](Nc1cc2n(nc(C)c2cn1)c3cc(Cl)cc(c3)c4ccccc4C(N)=O)c5ccccc5;Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)NC(C)c5ccccc5","InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1","3'-chloro-5'-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-biphenyl-2-carboxylic acid amide","2008-06-16","2020-06-17","3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide",""],["PJ3","(2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid","C17 H25 N8 O9 P","CN1CN([CH]2O[CH](CO[P](O)(=O)n3cnc(C[CH](N)C(O)=O)c3)[CH](O)[CH]2O)C4=C1C(=O)NC(=N4)N;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(n4cc(nc4)CC(C(=O)O)N)O)O)O","InChI=1S/C17H25N8O9P/c1-23-6-25(13-10(23)14(28)22-17(19)21-13)15-12(27)11(26)9(34-15)4-33-35(31,32)24-3-7(20-5-24)2-8(18)16(29)30/h3,5,8-9,11-12,15,26-27H,2,4,6,18H2,1H3,(H,29,30)(H,31,32)(H3,19,21,22,28)/t8-,9+,11+,12+,15+/m0/s1","7GMP capped histidine","2022-10-04","2024-09-27","(2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid","2023-05-03"],["3FS","N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide","C16 H20 Cl2 N4 O4","Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C;C[CH](O)[CH](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC=N;CC(C(C(=O)NCC(=O)NCC=N)NC(=O)Cc1cc(cc(c1)Cl)Cl)O","InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1","","2014-08-11","2024-09-27","N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide","2014-09-10"],["PJ4","(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline","C14 H18 Cl N3","c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C;CN1CCN(CC1)[CH]2N=C(Cl)Cc3ccccc23;CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl","InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3","","2019-08-07","2020-10-02","(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline","2020-10-07"],["PJ5","(1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol","C6 H12 O4","OC[CH]1C[CH](O)[CH](O)[CH]1O;C1C(C(C(C1O)O)O)CO","InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1","","2020-04-20","2024-09-27","(1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol","2021-01-27"],["3FT","2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID","C20 H15 F4 N O4","O=C(C1=C(C(=O)O)CCC1)Nc3ccc(c2cccc(OC(F)(F)F)c2)cc3F;OC(=O)C1=C(CCC1)C(=O)Nc2ccc(cc2F)c3cccc(OC(F)(F)F)c3;c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O","InChI=1S/C20H15F4NO4/c21-16-10-12(11-3-1-4-13(9-11)29-20(22,23)24)7-8-17(16)25-18(26)14-5-2-6-15(14)19(27)28/h1,3-4,7-10H,2,5-6H2,(H,25,26)(H,27,28)","","2005-07-27","2011-06-04","2-{[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid",""],["3FU","N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide","C22 H28 Cl2 N6 O2","Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC;CC[CH](C)[CH](NC(=O)[CH](N(C)C)c1cc(Cl)cc(Cl)c1)C(=O)NCc2ccnc(C=N)n2;CCC(C)C(C(=O)NCc1ccnc(n1)C=N)NC(=O)C(c2cc(cc(c2)Cl)Cl)N(C)C","InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1","","2014-08-11","2024-09-27","N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide","2014-09-10"],["PJ6","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H17 Cl N2 O3","Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21;CO[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["PJ7","4-aminofuran-2-carboxylic acid","C5 H5 N O3","O=C(O)c1occ(N)c1;Nc1coc(c1)C(O)=O;c1c(coc1C(=O)O)N","InChI=1S/C5H5NO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,6H2,(H,7,8)","","2010-10-20","2024-09-27","4-aminofuran-2-carboxylic acid",""],["3FV","4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide","C17 H18 Cl N7 O","Clc1cn(nc1C(=O)Nc3cnnc3c2ncccc2)C4CCNCC4;Clc1cn(nc1C(=O)Nc2c[nH]nc2c3ccccn3)C4CCNCC4;c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl","InChI=1S/C17H18ClN7O/c18-12-10-25(11-4-7-19-8-5-11)24-15(12)17(26)22-14-9-21-23-16(14)13-3-1-2-6-20-13/h1-3,6,9-11,19H,4-5,7-8H2,(H,21,23)(H,22,26)","","2014-08-12","2014-10-17","4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide","2014-10-22"],["PJ8","heptadecane","C17 H36","CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC","InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3","","2020-04-20","2021-04-16","heptadecane","2021-04-21"],["3FW","1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine","C6 H8 N4","[N@H]=Cc1nc(ccn1)CN;NCc1ccnc(C=N)n1;c1cnc(nc1CN)C=N","InChI=1S/C6H8N4/c7-3-5-1-2-9-6(4-8)10-5/h1-2,4,8H,3,7H2/b8-4-","","2014-08-12","2014-09-05","1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine","2014-09-10"],["PJA","4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid","C18 H14 O8","O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(O)c3C=O)C;COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C;Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O","InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22)","Psoromic acid","2012-05-08","2024-09-27","4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid",""],["3FX","(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid","C9 H19 N O4 S","O=S(=O)(O)CC(O)CNC1CCCCC1;O[CH](CNC1CCCCC1)C[S](O)(=O)=O;C1CCC(CC1)NCC(CS(=O)(=O)O)O","InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m1/s1","","2011-06-17","2011-07-29","(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid",""],["PJB","2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid","C17 H16 N4 O4 S","COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3ccccc3C(O)=O;COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O","InChI=1S/C17H16N4O4S/c1-25-11-6-7-14(22)13(8-11)15-19-20-17(26)21(15)18-9-10-4-2-3-5-12(10)16(23)24/h2-8,18,22H,9H2,1H3,(H,20,26)(H,23,24)","","2020-04-21","2020-09-25","2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid","2020-09-30"],["3FY","N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide","C25 H29 Br N6 O2 S","Brc4ccc(N(CCN(Cc1ccccc1C)S(=O)(=O)c2ncn(c2)C)Cc3cncn3C)cc4;Cn1cnc(c1)[S](=O)(=O)N(CCN(Cc2cncn2C)c3ccc(Br)cc3)Cc4ccccc4C;Cc1ccccc1CN(CCN(Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C","InChI=1S/C25H29BrN6O2S/c1-20-6-4-5-7-21(20)15-32(35(33,34)25-17-29(2)19-28-25)13-12-31(16-24-14-27-18-30(24)3)23-10-8-22(26)9-11-23/h4-11,14,17-19H,12-13,15-16H2,1-3H3","","2011-06-17","2011-07-29","N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide",""],["PJC","3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione","C22 H16 F3 N5 O3","FC(F)(F)c1cnc(nc1C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)N5CCC(=O)CC5;c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F","InChI=1S/C22H16F3N5O3/c23-22(24,25)14-10-27-21(30-7-5-11(31)6-8-30)28-18(14)17-16(19(32)29-20(17)33)13-9-26-15-4-2-1-3-12(13)15/h1-4,9-10,26H,5-8H2,(H,29,32,33)","","2010-11-10","2012-01-05","",""],["3FZ","3-formylbenzenecarboximidamide","C8 H8 N2 O","O=Cc1cccc(C(=[N@H])N)c1;NC(=N)c1cccc(C=O)c1;c1cc(cc(c1)C(=N)N)C=O","InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10)","","2009-10-08","2011-06-04","3-formylbenzenecarboximidamide",""],["PJD","1,3-dichloro-2-[(methylsulfonyl)methyl]benzene","C8 H8 Cl2 O2 S","c1(c(cccc1Cl)Cl)CS(C)(=O)=O;C[S](=O)(=O)Cc1c(Cl)cccc1Cl;CS(=O)(=O)Cc1c(cccc1Cl)Cl","InChI=1S/C8H8Cl2O2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3","","2019-08-07","2020-10-02","1,3-dichloro-2-[(methylsulfonyl)methyl]benzene","2020-10-07"],["3G0","tetracyanoplatinate(II)","C4 N4 Pt","N#C[Pt-2](C#N)(C#N)C#N;N#C[Pt--](C#N)(C#N)C#N;C(#N)[Pt-2](C#N)(C#N)C#N","InChI=1S/4CN.Pt/c4*1-2;/q;;;;-2","[Pt(CN)4]2-","2014-08-12","2020-06-17","tetrakis(cyano-kappaC)platinate(2-)","2019-07-10"],["PJE","(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid","C9 H14 N2 O3","N[CH](C[CH]1CCNC1=O)C=CC(O)=O;C1CNC(=O)C1CC(C=CC(=O)O)N","InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1","","2015-11-24","2024-09-27","(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid","2015-12-02"],["3G1","2-[(S)-benzylsulfinyl]benzoic acid","C14 H12 O3 S","O=S(c1ccccc1C(=O)O)Cc2ccccc2;OC(=O)c1ccccc1[S](=O)Cc2ccccc2;c1ccc(cc1)CS(=O)c2ccccc2C(=O)O","InChI=1S/C14H12O3S/c15-14(16)12-8-4-5-9-13(12)18(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)/t18-/m0/s1","","2014-08-12","2014-11-28","2-[(S)-benzylsulfinyl]benzoic acid","2014-12-03"],["PJF","3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile","C24 H22 Cl N5 O","Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#N)c3)CC=2C1=O;Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#N)C3)N5CCN=C25)cc1;c1cc(cc(c1)C#N)CN2CCC3=C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl","InChI=1S/C24H22ClN5O/c25-20-6-4-17(5-7-20)15-30-23(31)21-16-28(14-19-3-1-2-18(12-19)13-26)10-8-22(21)29-11-9-27-24(29)30/h1-7,12H,8-11,14-16H2","","2022-05-26","2023-01-06","3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile","2023-01-11"],["3G3","2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione","C11 H9 N5 O2","O=C1N(C(=O)c2ccccc12)CCc3nnnn3;O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13;c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3","InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)","","2009-02-03","2011-06-04","2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione",""],["PJG","N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine","C12 H22 N2","C13(CC2CC(CC(C1)C2)C3)NCCN;NCCNC12CC3CC(CC(C3)C1)C2;C1C2CC3CC1CC(C2)(C3)NCCN","InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12-","","2019-08-07","2020-10-02","N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine","2020-10-07"],["3G4","2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide","C18 H22 Cl N3 O3 S","O=S(=O)(Nc1nc(ccc1)CC(=O)N(CC)CC)c2cccc(Cl)c2C;CCN(CC)C(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2C)n1;CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl","InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)","","2009-02-10","2011-06-04","2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide",""],["3G5","4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid","C16 H8 Br2 O5","O=C(O)c3ccc(C=2Oc1c(Br)cc(Br)cc1C(=O)C=2O)cc3;OC(=O)c1ccc(cc1)C2=C(O)C(=O)c3cc(Br)cc(Br)c3O2;c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O","InChI=1S/C16H8Br2O5/c17-9-5-10-12(19)13(20)14(23-15(10)11(18)6-9)7-1-3-8(4-2-7)16(21)22/h1-6,20H,(H,21,22)","","2014-08-13","2015-06-26","4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid","2015-07-01"],["PJH","~{N}-methylpyridine-3-carboxamide","C7 H8 N2 O","CNC(=O)c1cccnc1;CNC(=O)c1cccnc1","InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)","","2020-04-22","2020-07-10","~{N}-methylpyridine-3-carboxamide","2020-07-15"],["PJI","~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide","C40 H57 Cl N3 O3","CN1c2ccccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C;CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCCOCCOCCCCCCCl)C","InChI=1S/C40H56ClN3O3/c1-39(2)32-18-10-12-20-34(32)43(5)36(39)22-17-23-37-40(3,4)33-19-11-13-21-35(33)44(37)27-15-8-9-24-38(45)42-26-29-47-31-30-46-28-16-7-6-14-25-41/h10-13,17-23H,6-9,14-16,24-31H2,1-5H3/p+1","","2022-10-04","2024-09-27","~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide","2023-07-26"],["3G6","(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)","C22 H32 O3","O=C(O)C(C)C4CCC3C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C;C[CH]([CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)C(O)=O;CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)O","InChI=1S/C22H32O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h12-13,16-19H,4-11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1","","2014-08-14","2014-12-12","(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)","2014-12-17"],["PJJ","(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid","C19 H23 N O3","O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2;N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O","InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1","","2010-08-20","2024-09-27","(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid",""],["3G7","(3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide","C25 H29 Cl N4 O4","O=C(N2CCN(c1ccc(C(=O)C)cc1)CC2)CN4CCC(C(=O)Nc3ccc(O)c(Cl)c3)C4;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[CH](C3)C(=O)Nc4ccc(O)c(Cl)c4;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CCC(C3)C(=O)Nc4ccc(c(c4)Cl)O","InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1","","2014-08-14","2014-11-07","(3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide","2014-11-12"],["3G8","7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one","C18 H17 N O3 S","O=C(C=1C(=O)Oc2cc(N(CC)CC)ccc2C=1)c3sccc3;CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C(=O)c3sccc3;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3","InChI=1S/C18H17NO3S/c1-3-19(4-2)13-8-7-12-10-14(18(21)22-15(12)11-13)17(20)16-6-5-9-23-16/h5-11H,3-4H2,1-2H3","","2014-08-14","2015-01-30","7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one","2015-02-04"],["PJK","(3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid","C12 H11 Cl F3 N O2","OC(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F;c1cc(c(cc1N2CCC(C2)C(=O)O)C(F)(F)F)Cl","InChI=1S/C12H11ClF3NO2/c13-10-2-1-8(5-9(10)12(14,15)16)17-4-3-7(6-17)11(18)19/h1-2,5,7H,3-4,6H2,(H,18,19)/t7-/m0/s1","","2020-04-22","2020-09-11","(3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid","2020-09-16"],["PJL","(3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid","C6 H7 N O4","OC=CC(=O)N=CCC(O)=O;C(C=NC(=O)C=CO)C(=O)O","InChI=1S/C6H7NO4/c8-4-2-5(9)7-3-1-6(10)11/h2-4,8H,1H2,(H,10,11)/b4-2+,7-3+","","2017-05-30","2017-07-14","(3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid","2017-07-19"],["3G9","1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone","C19 H19 Cl N2 O2","O=C(c1cccc(Cl)c1)N3CCN(c2ccc(C(=O)C)cc2)CC3;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(Cl)c3;CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl","InChI=1S/C19H19ClN2O2/c1-14(23)15-5-7-18(8-6-15)21-9-11-22(12-10-21)19(24)16-3-2-4-17(20)13-16/h2-8,13H,9-12H2,1H3","","2014-08-14","2015-01-30","1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone","2015-02-04"],["3GA","(3S)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide","C9 H18 N4 O","O=CC(N)CC1CCCN(C(=[N@H])N)C1;N[CH](C[CH]1CCCN(C1)C(N)=N)C=O;C1CC(CN(C1)C(=N)N)CC(C=O)N","InChI=1S/C9H18N4O/c10-8(6-14)4-7-2-1-3-13(5-7)9(11)12/h6-8H,1-5,10H2,(H3,11,12)/t7-,8-/m0/s1","","1999-07-08","2011-06-04","(3S)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide",""],["PJM","N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide","C36 H23 Cl F3 N7 O2","c1(ncncc1F)c2cc(F)cc(c2)c3oc(nn3)c4ccc(cc4)C(=O)NC(Cn5ccnc5)c6c(Cl)cc(cc6)c7ccc(F)cc7;Fc1ccc(cc1)c2ccc([CH](Cn3ccnc3)NC(=O)c4ccc(cc4)c5oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c(Cl)c2;c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)NC(Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F","InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1","","2019-08-09","2019-11-08","N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide","2019-11-13"],["3GB","N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide","C62 H117 N O18","O=C(NC(C(O)/C=C/CCCCCCCCCCCCC)COC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1","Globotrihexosylceramide","2011-08-04","2021-03-01","N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide",""],["PJN","(5R)-4-benzoyl-3-hydroxy-1-(2-hydroxyphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one","C23 H16 N2 O6","[O-][N+](=O)c1ccc(cc1)C1C(=C(O)C(=O)N1c1ccccc1O)C(=O)c1ccccc1;Oc1ccccc1N2[CH](c3ccc(cc3)[N+]([O-])=O)C(=C(O)C2=O)C(=O)c4ccccc4;c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])c4ccccc4O)O","InChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-10-12-16(13-11-14)25(30)31)19(22(28)23(24)29)21(27)15-6-2-1-3-7-15/h1-13,20,26,28H/t20-/m1/s1","","2020-04-22","2026-04-05","(5R)-4-benzoyl-3-hydroxy-1-(2-hydroxyphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one","2022-12-21"],["PJO","Benziodarone","C17 H12 I2 O3","CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3;CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I","InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3","Amplivix; Dilafurane","2023-03-06","2023-11-01","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone","2023-06-28"],["3GC","GAMMA-GLUTAMYLCYSTEINE","C8 H14 N2 O5 S","O=C(O)C(NC(=O)CCC(C(=O)O)N)CS;N[CH](CCC(=O)N[CH](CS)C(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N","InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1","","2002-07-01","2024-09-27","L-gamma-glutamyl-L-cysteine",""],["PJP","N,N-diethyl-4-methylbenzene-1-sulfonamide","C11 H17 N O2 S","CCN(CC)S(c1ccc(cc1)C)(=O)=O;CCN(CC)[S](=O)(=O)c1ccc(C)cc1;CCN(CC)S(=O)(=O)c1ccc(cc1)C","InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3","","2019-08-12","2020-10-02","N,N-diethyl-4-methylbenzene-1-sulfonamide","2020-10-07"],["3GD","N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide","C52 H99 N O13","O=C(NC(COC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1","","2011-08-21","2011-09-30","N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide",""],["PJQ","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione","C23 H20 Cl F3 N4 O5","CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(OC(F)(F)F)c4)nc12;CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO","InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3","","2020-04-23","2020-11-27","7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione","2020-12-02"],["3GE","N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine","C9 H15 N O6 S","O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O;CC(C)([CH](NC=C(CO)C=O)C(O)=O)[S](O)=O;CC(C)(C(C(=O)O)NC=C(CO)C=O)S(=O)O","InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1","","2014-08-15","2024-09-27","N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine","2015-01-21"],["PJR","[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C24 H40 F2 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCC(CC3)(F)F","InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22-/m0/s1","","2022-05-26","2024-09-27","[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-06-22"],["3GF","6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine","C24 H23 N5","n4nc(c2cc1ccccc1cc2)c(c3ccncc3)cc4N5CCN(C)CC5;CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4;CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5","InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3","","2014-08-15","2015-02-20","6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine","2015-02-25"],["3GG","1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea","C14 H12 N6 O","O=C(Nc1ccccc1)Nc3ccc(c2nnnn2)cc3;O=C(Nc1ccccc1)Nc2ccc(cc2)c3[nH]nnn3;c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3","InChI=1S/C14H12N6O/c21-14(15-11-4-2-1-3-5-11)16-12-8-6-10(7-9-12)13-17-19-20-18-13/h1-9H,(H2,15,16,21)(H,17,18,19,20)","","2014-08-14","2014-11-07","1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea","2014-11-12"],["PJS","N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide","C14 H13 Cl F N3 O","Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O;CN(Cc1c(F)cccc1Cl)C(=O)c2ccnc(C)n2;Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F","InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3","","2019-08-12","2020-10-02","N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide","2020-10-07"],["PJT","(9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one","C20 H21 N3 O3 S","Cc1sc2N=C3N(CC[C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5;Cc1cc2c(s1)N=C3C(C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O","InChI=1S/C20H21N3O3S/c1-13-12-16-17(24)20(25)6-7-23(19(20)21-18(16)27-13)15-4-2-14(3-5-15)22-8-10-26-11-9-22/h2-5,12,25H,6-11H2,1H3/t20-/m1/s1","","2020-04-23","2021-02-26","(9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one","2021-03-03"],["3GH","N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide","C50 H99 N O7","O=C(NC(COC1OC(C(O)CC1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)C[CH]1O)[CH](O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(CC(C(O1)CO)O)O)C(CCCCCCCCCCCCCCC)O","InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1","","2010-12-03","2011-06-04","N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide",""],["3GJ","N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide","C19 H17 Cl2 N3 O4","Clc1cncc(Cl)c1NC(=O)c3cc(OCc2onc(c2)CC)c(OC)cc3;CCc1cc(COc2cc(ccc2OC)C(=O)Nc3c(Cl)cncc3Cl)on1;CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl","InChI=1S/C19H17Cl2N3O4/c1-3-12-7-13(28-24-12)10-27-17-6-11(4-5-16(17)26-2)19(25)23-18-14(20)8-22-9-15(18)21/h4-9H,3,10H2,1-2H3,(H,22,23,25)","","2014-08-15","2020-06-27","N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide","2014-11-05"],["PJU","[(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol","C22 H25 Cl F2 N6 O3","Nc1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[CH]4CO)C(F)F;c1ccc(c(c1)Cc2cn(nc2c3cc(nc(n3)N)Cl)C(F)F)OCCN4CCOCC4CO","InChI=1S/C22H25ClF2N6O3/c23-19-10-17(27-22(26)28-19)20-15(11-31(29-20)21(24)25)9-14-3-1-2-4-18(14)34-8-6-30-5-7-33-13-16(30)12-32/h1-4,10-11,16,21,32H,5-9,12-13H2,(H2,26,27,28)/t16-/m1/s1","","2022-10-04","2023-03-24","[(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol","2023-03-29"],["PJV","3-(2-bromophenoxy)pyridazine","C10 H7 Br N2 O","c1(Br)ccccc1Oc2cccnn2;Brc1ccccc1Oc2cccnn2;c1ccc(c(c1)Oc2cccnn2)Br","InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H","","2019-08-12","2020-10-02","3-(2-bromophenoxy)pyridazine","2020-10-07"],["3GK","N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide","C16 H10 F3 N7 O","FC(F)(F)c1cc(c2ncnc2c1)C(=O)Nc3cccc(c3)c4nnnn4;FC(F)(F)c1cc2[nH]cnc2c(c1)C(=O)Nc3cccc(c3)c4n[nH]nn4;c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4","InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26)","","2014-08-15","2015-06-19","N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide","2015-06-24"],["PJW","benzo[b][1]benziodole","C12 H8 I","[I]1c2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3I2","InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H","","2020-04-23","2020-06-05","benzo[b][1]benziodole","2020-06-10"],["3GL","(2S,4S)-2-amino-4-hydroxy-pentanedioic acid","C5 H9 N O5","O=C(O)C(N)CC(O)C(=O)O;N[CH](C[CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)N)C(C(=O)O)O","InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1","4-HYDROXY-GLUTAMIC-ACID","2010-11-03","2024-09-27","(2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name)",""],["3GM","(2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C26 H30 N2 O7","O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CC4c3ccccc3CC4NC(=O)CCCN;NCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O)NC(=O)CCCN","InChI=1S/C26H30N2O7/c27-11-3-6-22(29)28-20-13-15-4-1-2-5-18(15)19(20)12-16-7-9-21-25(24(16)26(32)33)34-14-17(35-21)8-10-23(30)31/h1-2,4-5,7,9,17,19-20H,3,6,8,10-14,27H2,(H,28,29)(H,30,31)(H,32,33)/t17-,19+,20-/m0/s1","","2013-11-13","2014-09-05","(2S)-6-({(1R,2S)-2-[(4-aminobutanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["PJX","(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide","C20 H18 Cl N3 O","Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21;CN1CC[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc14;CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["PJY","N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide","C9 H12 N2 O S","CSc1c(cccn1)C(=O)N(C)C;CSc1ncccc1C(=O)N(C)C;CN(C)C(=O)c1cccnc1SC","InChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3","","2019-08-12","2020-10-02","N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide","2020-10-07"],["3GN","2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide","C13 H16 N4 O","O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3;C[C]1(CCCN1)c2[nH]c3c(cccc3C(N)=O)n2;CC1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N","InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1","","2009-03-17","2011-06-04","2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide",""],["PJZ","(2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate","C30 H48 O4","O=C(OC(C)COC(=O)CCC=CC=CC=CC=CC=CCC)CCCCCCCCCCC;CCCCCCCCCCCC(=O)O[CH](C)COC(=O)CCC=CC=CC=CC=CC=CCC;CCCCCCCCCCCC(=O)OC(C)COC(=O)CCC=CC=CC=CC=CC=CCC","InChI=1S/C30H48O4/c1-4-6-8-10-12-14-15-16-18-19-21-23-25-29(31)33-27-28(3)34-30(32)26-24-22-20-17-13-11-9-7-5-2/h6,8,10,12,14-16,18-19,21,28H,4-5,7,9,11,13,17,20,22-27H2,1-3H3/b8-6+,12-10+,15-14+,18-16+,21-19+/t28-/m1/s1","","2014-05-12","2014-10-17","(2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate","2014-10-22"],["3GO","4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri\nle","C28 H26 N8 O4","N#Cc1ccc(cc1)COCC6OC(n3c(nc2c(ncnc23)N)NCc5cc4cccnc4cc5)C(O)C6O;Nc1ncnc2n([CH]3O[CH](COCc4ccc(cc4)C#N)[CH](O)[CH]3O)c(NCc5ccc6ncccc6c5)nc12;c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3C5C(C(C(O5)COCc6ccc(cc6)C#N)O)O)N","InChI=1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1","5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine","2009-01-28","2020-06-17","5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine",""],["3GP","GUANOSINE-3'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2011-06-04","3'-guanylic acid",""],["PK0","4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile","C19 H14 F3 N3 O3","FC(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2=O)C)ccc3C#N;CN1C(=O)N(c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[C]1(C)c3ccc(O)cc3;CC1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O","InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1","","2011-12-20","2012-08-31","4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile","2012-08-31"],["PK1","(5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one","C17 H14 Cl2 N2 O2 S","Clc3ccc(N2C(=S)N(C)C(c1ccc(O)cc1)(C2=O)C)cc3Cl;CN1C(=S)N(C(=O)[C]1(C)c2ccc(O)cc2)c3ccc(Cl)c(Cl)c3;CC1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O","InChI=1S/C17H14Cl2N2O2S/c1-17(10-3-6-12(22)7-4-10)15(23)21(16(24)20(17)2)11-5-8-13(18)14(19)9-11/h3-9,22H,1-2H3/t17-/m1/s1","","2011-12-20","2012-08-31","(5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one","2012-08-31"],["3GQ","benzene-1,2,3-tricarboxylic acid","C9 H6 O6","O=C(O)c1cccc(C(=O)O)c1C(=O)O;OC(=O)c1cccc(C(O)=O)c1C(O)=O;c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)","","2014-08-19","2014-12-05","benzene-1,2,3-tricarboxylic acid","2014-12-10"],["PK2","6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C19 H27 N7 O","O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4CCCCC4;CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCCC4)c2n1)N;CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N","InChI=1S/C19H27N7O/c1-21-19-23-14-9-13-15(24-18(20)26-17(13)27)12(16(14)25-19)7-8-22-10-11-5-3-2-4-6-11/h9,11,22H,2-8,10H2,1H3,(H2,21,23,25)(H3,20,24,26,27)","","2008-10-02","2011-06-04","6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["3GR","D-Glyceraldehyde","C3 H6 O3","C(O)C(O)C=O;OC[CH](O)C=O;C(C(C=O)O)O","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","GLYCERALDEHYDE; (2R)-2,3-DIHYDROXYPROPANAL","2004-07-19","2020-06-29","(2R)-2,3-dihydroxypropanal",""],["PK3","6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C12 H14 N6 O2","O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N;CNc1[nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1;CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N","InChI=1S/C12H14N6O2/c1-14-12-15-7-4-6-8(16-11(13)18-10(6)20)5(2-3-19)9(7)17-12/h4,19H,2-3H2,1H3,(H2,14,15,17)(H3,13,16,18,20)","","2008-10-02","2011-06-04","6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["3GS","dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide","C16 H14 F N O5 S","O=S2Cc1c(c(c(n1C2)c3cccc(F)c3)C(=O)OC)C(=O)OC;COC(=O)c1c2C[S](=O)Cn2c(c3cccc(F)c3)c1C(=O)OC;COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)CS(=O)C2","InChI=1S/C16H14FNO5S/c1-22-15(19)12-11-7-24(21)8-18(11)14(13(12)16(20)23-2)9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3/t24-/m1/s1","","2014-08-15","2015-01-30","dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide","2015-02-04"],["3GT","(3beta,4beta,5beta,10beta,11E,13E)-maytansine","C34 H46 Cl N3 O10","O=C(N(C)C(C(=O)OC3CC(=O)N(c1c(Cl)c(OC)cc(c1)CC(=CC=CC(OC)C2(O)NC(=O)OC(C2)C(C)C4OC34C)C)C)C)C;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(C)=O)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)C)C)C)OC)(NC(=O)O2)O","InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1","","2014-08-17","2014-09-05","(3beta,4beta,5beta,10beta,11E,13E)-maytansine","2014-08-27"],["PK4","2-fluoro-N,3-dimethylbenzene-1-sulfonamide","C8 H10 F N O2 S","CNS(c1c(c(C)ccc1)F)(=O)=O;CN[S](=O)(=O)c1cccc(C)c1F;Cc1cccc(c1F)S(=O)(=O)NC","InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3","","2019-08-12","2020-09-25","2-fluoro-N,3-dimethylbenzene-1-sulfonamide","2020-09-30"],["3GU","N6-cyclopentyladenosine","C15 H21 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NC4CCCC4)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)NC4CCCC4","InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1","","2009-04-10","2011-06-04","N-cyclopentyladenosine",""],["PK5","2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide","C27 H37 Cl N6 O3","CCC1NC2CCC(Cl)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C)C(=O)NC5=O;CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C","InChI=1S/C27H37ClN6O3/c1-3-22-24(34-16-19(28)6-9-23(34)30-22)26(36)29-14-18-4-7-20(8-5-18)32-12-10-21(11-13-32)33-15-17(2)25(35)31-27(33)37/h4-5,7-8,15,19,21-24,30H,3,6,9-14,16H2,1-2H3,(H,29,36)(H,31,35,37)","","2020-04-23","2020-08-28","6-chloranyl-2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide","2020-09-02"],["PK6","N-methyl-2-thiophenesulfonamide","C5 H7 N O2 S2","CN[S](=O)(=O)c1sccc1;CNS(=O)(=O)c1cccs1","InChI=1S/C5H7NO2S2/c1-6-10(7,8)5-3-2-4-9-5/h2-4,6H,1H3","","2016-11-07","2017-12-15","~{N}-methylthiophene-2-sulfonamide","2017-12-20"],["3GV","(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid","C11 H11 N O4","O=C2N(c1c(O)cccc1)CC(C(=O)O)C2;OC(=O)[CH]1CN(C(=O)C1)c2ccccc2O;c1ccc(c(c1)N2CC(CC2=O)C(=O)O)O","InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1","","2009-04-02","2011-06-04","(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid",""],["3GW","5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-D-galactosyl)-diphosphate","C22 H29 N3 O18 P2 S","O=Cc4sc(C=1C(=O)NC(=O)N(C=1)C3OC(COP(=O)(O)OP(=O)(OC2OC(CO)C(O)C(O)C2NC(=O)C)O)C(O)C3O)cc4;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=C(C(=O)NC3=O)c4sc(C=O)cc4;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O","InChI=1S/C22H29N3O18P2S/c1-8(28)23-14-17(31)15(29)11(6-27)41-21(14)42-45(37,38)43-44(35,36)39-7-12-16(30)18(32)20(40-12)25-4-10(19(33)24-22(25)34)13-3-2-9(5-26)46-13/h2-5,11-12,14-18,20-21,27,29-32H,6-7H2,1H3,(H,23,28)(H,35,36)(H,37,38)(H,24,33,34)/t11-,12-,14-,15+,16-,17-,18-,20-,21-/m1/s1","","2012-01-13","2013-01-18","(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl {(2R,3S,4R,5R)-5-[5-(5-formylthiophen-2-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl dihydrogen diphosphate (non-preferred name)","2013-01-18"],["PK7","1-(3-chloro-4-fluorophenyl)methanamine","C7 H7 Cl F N","C(c1ccc(F)c(c1)Cl)N;NCc1ccc(F)c(Cl)c1;c1cc(c(cc1CN)Cl)F","InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2","","2019-08-12","2020-10-02","1-(3-chloro-4-fluorophenyl)methanamine","2020-10-07"],["PK8","9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene","C5 H4 N O S Zn","O1[Zn]Sc2cccc[n+]12;c1cc[n+]2c(c1)S[Zn]O2","InChI=1S/C5H5NOS.Zn/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+2/p-1","","2020-04-24","2020-05-01","9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene","2020-05-06"],["3GX","1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one","C15 H16 N2 O","O=C1NC(=CC2=C1CCCN2C)c3ccccc3;CN1CCCC2=C1C=C(NC2=O)c3ccccc3;CN1CCCC2=C1C=C(NC2=O)c3ccccc3","InChI=1S/C15H16N2O/c1-17-9-5-8-12-14(17)10-13(16-15(12)18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,18)","","2014-08-18","2015-06-05","1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one","2015-06-10"],["PK9","tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate","C17 H27 N3 O3","O=C(OC(C)(C)C)NCCCCCC(=O)NCc1cccnc1;CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1;CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1","InChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)19-11-6-4-5-9-15(21)20-13-14-8-7-10-18-12-14/h7-8,10,12H,4-6,9,11,13H2,1-3H3,(H,19,22)(H,20,21)","","2014-11-19","2015-09-18","tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate","2015-09-23"],["3GY","(2R)-butan-2-ylbenzene","C10 H14","c1ccccc1C(CC)C;CC[CH](C)c1ccccc1;CCC(C)c1ccccc1","InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1","sec-Butylbenzene","2014-08-18","2020-06-17","(2R)-butan-2-ylbenzene","2015-04-01"],["PKA","N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide","C21 H21 Cl N2 O","Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)C;CC[CH](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl;CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl","InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1","","2013-11-19","2014-03-28","N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide","2014-04-02"],["3GZ","hexylbenzene","C12 H18","c1ccccc1CCCCCC;CCCCCCc1ccccc1;CCCCCCc1ccccc1","InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3","","2014-08-18","2015-03-27","hexylbenzene","2015-04-01"],["PKB","4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine","C20 H17 F3 N6 O2","CCOc1ccc2n(ncc2c3ccnc(Nc4cc(OC)cc(c4)C(F)(F)F)n3)n1;CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F","InChI=1S/C20H17F3N6O2/c1-3-31-18-5-4-17-15(11-25-29(17)28-18)16-6-7-24-19(27-16)26-13-8-12(20(21,22)23)9-14(10-13)30-2/h4-11H,3H2,1-2H3,(H,24,26,27)","","2020-04-24","2020-07-10","4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine","2020-07-15"],["3H0","propylbenzene","C9 H12","c1ccccc1CCC;CCCc1ccccc1;CCCc1ccccc1","InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","","2014-08-18","2015-03-27","propylbenzene","2015-04-01"],["3H1","3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde","C23 H29 Cl O4","O=Cc1c(O)c(c(O)c(Cl)c1C)C/C=C(/C=C/C2(C)C(C(=O)CCC2C)C)C;C[CH]1CCC(=O)[CH](C)[C]1(C)C=CC(C)=CCc2c(O)c(Cl)c(C)c(C=O)c2O;Cc1c(c(c(c(c1Cl)O)CC=C(C)C=CC2(C(CCC(=O)C2C)C)C)O)C=O","InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1","ASCOCHLORIN","2009-04-13","2021-03-01","3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde",""],["PKC","(2R,3S)-1,3-diamino-4-phenylbutan-2-ol","C10 H16 N2 O","OC(C(N)Cc1ccccc1)CN;NC[CH](O)[CH](N)Cc1ccccc1;c1ccc(cc1)CC(C(CN)O)N","InChI=1S/C10H16N2O/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11-12H2/t9-,10+/m0/s1","","2008-11-07","2012-01-13","(2R,3S)-1,3-diamino-4-phenylbutan-2-ol",""],["PKD","(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid","C11 H10 Cl N O3 S","C(C1CSCN1C(c2ccc(cc2)Cl)=O)(O)=O;OC(=O)[CH]1CSCN1C(=O)c2ccc(Cl)cc2;c1cc(ccc1C(=O)N2CSCC2C(=O)O)Cl","InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1","","2019-08-12","2020-10-02","(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid","2020-10-07"],["3H2","pentylbenzene","C11 H16","c1ccccc1CCCCC;CCCCCc1ccccc1;CCCCCc1ccccc1","InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3","","2014-08-18","2015-03-27","pentylbenzene","2015-04-01"],["PKE","~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide","C20 H21 N7 O3 S","CN(c1ncccc1CNc2ccnc(Nc3ccc4NC(=O)Cc4c3)n2)[S](C)(=O)=O;CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C","InChI=1S/C20H21N7O3S/c1-27(31(2,29)30)19-13(4-3-8-21-19)12-23-17-7-9-22-20(26-17)24-15-5-6-16-14(10-15)11-18(28)25-16/h3-10H,11-12H2,1-2H3,(H,25,28)(H2,22,23,24,26)","","2020-04-24","2021-02-05","~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide","2021-02-10"],["3H3","4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione","C26 H35 N O6","O=C1NC(=O)CC(C1)CC(O)CC(=O)C(/C=C(/C2OC(=O)C=CCCC=CC=CC2C)C)C;C[CH]1C=CC=CCCC=CC(=O)O[CH]1C(C)=C[CH](C)C(=O)C[CH](O)CC2CC(=O)NC(=O)C2;CC1C=CC=CCCC=CC(=O)OC1C(=CC(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)C","InChI=1S/C26H35NO6/c1-17-10-8-6-4-5-7-9-11-25(32)33-26(17)19(3)12-18(2)22(29)16-21(28)13-20-14-23(30)27-24(31)15-20/h4,6,8-12,17-18,20-21,26,28H,5,7,13-16H2,1-3H3,(H,27,30,31)/b6-4-,10-8+,11-9+,19-12+/t17-,18-,21+,26+/m0/s1","","2014-08-19","2014-10-17","4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione","2014-10-22"],["PKF","CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME","C36 H52 N6 O9 P","O=C(NC(C(=O)NC(Cc1ccccc1)P(=O)(O)NC(C(=O)N2C(C(=O)OC)CCC2)C)CCCC[NH3+])C4N(C(=O)OCc3ccccc3)CCC4;COC(=O)[CH]1CCCN1C(=O)[CH](C)N[P](O)(=O)[CH](Cc2ccccc2)NC(=O)[CH](CCCC[NH3+])NC(=O)[CH]3CCCN3C(=O)OCc4ccccc4;CC(C(=O)N1CCCC1C(=O)OC)NP(=O)(C(Cc2ccccc2)NC(=O)C(CCCC[NH3+])NC(=O)C3CCCN3C(=O)OCc4ccccc4)O","InChI=1S/C36H51N6O9P/c1-25(34(45)41-21-12-19-30(41)35(46)50-2)40-52(48,49)31(23-26-13-5-3-6-14-26)39-32(43)28(17-9-10-20-37)38-33(44)29-18-11-22-42(29)36(47)51-24-27-15-7-4-8-16-27/h3-8,13-16,25,28-31H,9-12,17-24,37H2,1-2H3,(H,38,44)(H,39,43)(H2,40,48,49)/p+1/t25-,28-,29-,30-,31+/m0/s1","","1999-07-08","2011-06-04","methyl N-[(R)-[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl]-L-alanyl-L-prolinate",""],["3H4","(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy\nl-L-valyl)amino]octa-1,6-dien-4-yl carbamate","C31 H45 N3 O7","O=C(OC(CC=C/C)C/C=CNC(=O)C(NC(=O)C=C/C=CC(=CC(C)C1OC(=O)C(OC)=CC1)C)C(C)(C)C)N;COC1=CC[CH](OC1=O)[CH](C)C=C(C)C=CC=CC(=O)N[CH](C(=O)NC=CC[CH](CC=CC)OC(N)=O)C(C)(C)C;CC=CCC(CC=CNC(=O)C(C(C)(C)C)NC(=O)C=CC=CC(=CC(C)C1CC=C(C(=O)O1)OC)C)OC(=O)N","InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1","PM060184","2014-08-19","2020-06-17","(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methyl-L-valyl)amino]octa-1,6-dien-4-yl carbamate","2014-09-03"],["PKG","(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid","C28 H28 N4 O3","c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)CC(O)=O)C(=O)c5ccccc5;CCn1nnc2c(C)c(ccc12)[CH](CC(O)=O)c3ccc4CCN(Cc4c3)C(=O)c5ccccc5;CCn1c2ccc(c(c2nn1)C)C(CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5","InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1","","2019-08-12","2020-01-10","(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid","2020-01-15"],["3H5","N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide","C13 H13 N5 O","O=C(c1cn(nc1C)C)Nc3nc2ccccc2n3;Cn1cc(C(=O)Nc2[nH]c3ccccc3n2)c(C)n1;Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2","InChI=1S/C13H13N5O/c1-8-9(7-18(2)17-8)12(19)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16,19)","","2014-08-19","2015-02-27","N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide","2015-03-04"],["3H6","N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide","C17 H12 F N5 O","Fc4ccc(c1nncc1C(=O)Nc3nc2ccccc2n3)cc4;Fc1ccc(cc1)c2n[nH]cc2C(=O)Nc3[nH]c4ccccc4n3;c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F","InChI=1S/C17H12FN5O/c18-11-7-5-10(6-8-11)15-12(9-19-23-15)16(24)22-17-20-13-3-1-2-4-14(13)21-17/h1-9H,(H,19,23)(H2,20,21,22,24)","","2014-08-19","2015-04-03","N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide","2015-04-08"],["PKH","~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide","C21 H23 Cl N5 O S","N/C(S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n3)C3CC3)C1CC2;NC(S)=[N+]1[CH]2CC[CH]1[CH](C2)NC(=O)c3ccc(cc3Cl)c4cncc(n4)C5CC5;c1cc(c(cc1c2cncc(n2)C3CC3)Cl)C(=O)NC4CC5CCC4[N+]5=C(N)S","InChI=1S/C21H22ClN5OS/c22-15-7-12(18-10-24-9-17(25-18)11-1-2-11)3-5-14(15)20(28)26-16-8-13-4-6-19(16)27(13)21(23)29/h3,5,7,9-11,13,16,19H,1-2,4,6,8H2,(H3,23,26,28,29)/p+1/t13-,16+,19+/m0/s1","","2022-05-26","2024-09-27","(1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(4M)-2-chloro-4-(6-cyclopropylpyrazin-2-yl)benzene-1-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium","2023-02-01"],["3H7","4,6-difluoro-1,3-benzothiazol-2-amine","C7 H4 F2 N2 S","Fc1cc(F)cc2sc(nc12)N;Nc1sc2cc(F)cc(F)c2n1;c1c(cc2c(c1F)nc(s2)N)F","InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)","","2014-08-19","2015-04-03","4,6-difluoro-1,3-benzothiazol-2-amine","2015-04-08"],["PKJ","N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide","C20 H16 N4 O3 S2","O=C(Nc2ccc1OCOc1c2)CSc3nnc4scc(n34)c5ccc(cc5)C;Cc1ccc(cc1)c2csc3nnc(SCC(=O)Nc4ccc5OCOc5c4)n23;Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5","InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)","","2014-05-20","2014-09-05","N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide","2014-09-03"],["3H8","3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide","C23 H19 Cl N6 O2","Clc1ccccc1NC(=O)Nc2cn(nc2)c4cccc(C(=O)Nc3ccnc(c3)C)c4;Cc1cc(NC(=O)c2cccc(c2)n3cc(NC(=O)Nc4ccccc4Cl)cn3)ccn1;Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl","InChI=1S/C23H19ClN6O2/c1-15-11-17(9-10-25-15)27-22(31)16-5-4-6-19(12-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)","","2014-08-19","2015-02-06","3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide","2015-02-11"],["PKK","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone","C17 H12 I2 O4","CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3;CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)I)O)I","InChI=1S/C17H12I2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3","","2023-03-06","2023-06-23","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone","2023-06-28"],["PKL","N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide","C21 H18 Cl N3 O S","Clc1cccc(c1)CCNC(=O)c3cnc4scc(c2ccc(cc2)C)n34;Cc1ccc(cc1)c2csc3ncc(n23)C(=O)NCCc4cccc(Cl)c4;Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl","InChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)","","2014-05-21","2014-09-05","N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide","2014-09-03"],["3H9","(S)-3-Hydroxyhexanoyl-CoA","C27 H42 N7 O18 P3 S","CCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23;CCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O","InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16+,20+,21+,22-,26+/m0/s1","","2011-07-29","2012-08-03","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-2,2-dimethyl-3-oxidanyl-4-[[3-[2-[(3S)-3-oxidanylhexanoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate",""],["PKM","4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C13 H21 N O10","C(=O)(O)C1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O;CC(=O)N[CH]1[CH](C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O)OC(C)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC(=O)C","InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13-/m1/s1","4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;\n4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosonic acid;\n4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid;\n4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosonic acid","2019-08-14","2020-07-17","4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","2020-02-12"],["3HA","3-HYDROXYANTHRANILIC ACID","C7 H7 N O3","O=C(O)c1cccc(O)c1N;Nc1c(O)cccc1C(O)=O;c1cc(c(c(c1)O)N)C(=O)O","InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)","2-AMINO-3-HYDROXYBENZOIC ACID","2004-08-16","2020-06-17","2-amino-3-hydroxybenzoic acid",""],["PKN","1H-pyrrole-3-carboxylic acid","C5 H5 N O2","O=C(O)c1cc[NH]c1;OC(=O)c1c[nH]cc1;c1c[nH]cc1C(=O)O","InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)","","2022-05-26","2022-12-02","1H-pyrrole-3-carboxylic acid","2022-12-07"],["3HB","3-HYDROXYBENZOIC ACID","C7 H6 O3","O=C(O)c1cc(O)ccc1;OC(=O)c1cccc(O)c1;c1cc(cc(c1)O)C(=O)O","InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)","","1999-07-08","2011-06-06","3-hydroxybenzoic acid",""],["PKP","4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one","C21 H18 Cl N O3 S","C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3)cc(cc4)Cl)O;CC1(C)CC(=C(C(=O)C1)c2ccc(Oc3sc4cc(Cl)ccc4n3)cc2)O;CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C","InChI=1S/C21H18ClNO3S/c1-21(2)10-16(24)19(17(25)11-21)12-3-6-14(7-4-12)26-20-23-15-8-5-13(22)9-18(15)27-20/h3-9,24H,10-11H2,1-2H3","","2019-08-14","2020-08-14","4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one","2020-08-19"],["3HC","3-HYDROXYBUTANOYL-COENZYME A","C25 H42 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)C;C[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O","InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1","3-HYDROXYBUTYRYL-COENZYME A","2000-05-31","2020-06-17","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name)",""],["PKQ","[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone","C17 H12 Br2 O4","CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3;CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br","InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3","","2023-03-06","2023-06-23","[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone","2023-06-28"],["3HD","1,5-anhydro-3-O-methyl-D-mannitol","C7 H14 O5","O(C)C1C(O)C(OCC1O)CO;CO[CH]1[CH](O)CO[CH](CO)[CH]1O;COC1C(COC(C1O)CO)O","InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1","3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL","2006-06-30","2024-09-27","1,5-anhydro-3-O-methyl-D-mannitol",""],["3HE","4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione","C15 H23 N O4","O=C2NC(=O)CC(CC(O)C1C(=O)C(C)CC(C)C1)C2;C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2;CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C","InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1","","2014-08-19","2014-10-17","4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione","2014-10-22"],["PKR","(2S)-1-methylpyrrolidine-2-carbaldehyde","C6 H11 N O2","O=C(O)C1N(C)CCC1;CN1CCC[CH]1C(O)=O;CN1CCCC1C(=O)O","InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1","","2009-07-01","2011-08-06","1-methyl-L-proline",""],["3HF","N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide","C36 H46 N4 O4","O=C(c2c1ccccc1n(c2)C(=O)N(CCCC)CCCC)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4;CCCCN(CCCC)C(=O)n1cc(C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(OC)c3)c4ccccc14;CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O","InChI=1S/C36H46N4O4/c1-4-6-20-39(21-7-5-2)36(43)40-26-31(30-18-11-12-19-33(30)40)35(42)38-32(23-27-14-9-8-10-15-27)34(41)25-37-24-28-16-13-17-29(22-28)44-3/h8-19,22,26,32,34,37,41H,4-7,20-21,23-25H2,1-3H3,(H,38,42)/t32-,34+/m0/s1","","2010-08-19","2011-06-04","N~1~,N~1~-dibutyl-N~3~-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-1H-indole-1,3-dicarboxamide",""],["PKS","2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol","C24 H35 N O3","CC(C(O)C(C)=[C@H]C)C=C(C=CCC(=[C@H]Cc1nc(cc(O)c1C)OC)C)C;COc1cc(O)c(C)c(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)n1;CC=C(C)C(C(C)C=C(C)C=CCC(=CCc1c(c(cc(n1)OC)O)C)C)O","InChI=1S/C24H35NO3/c1-8-18(4)24(27)19(5)14-17(3)11-9-10-16(2)12-13-21-20(6)22(26)15-23(25-21)28-7/h8-9,11-12,14-15,19,24,27H,10,13H2,1-7H3,(H,25,26)/b11-9+,16-12+,17-14+,18-8+/t19-,24+/m1/s1","","2019-08-15","2020-03-06","2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol","2020-03-11"],["PKT","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate","C25 H32 N4 O3 S","O=C(OC(C)(C)C)NC(CSCCC(=O)NCc1cccnc1)Cc3c2ccccc2nc3;CC(C)(C)OC(=O)N[CH](CSCCC(=O)NCc1cccnc1)Cc2c[nH]c3ccccc23;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3","InChI=1S/C25H32N4O3S/c1-25(2,3)32-24(31)29-20(13-19-16-27-22-9-5-4-8-21(19)22)17-33-12-10-23(30)28-15-18-7-6-11-26-14-18/h4-9,11,14,16,20,27H,10,12-13,15,17H2,1-3H3,(H,28,30)(H,29,31)/t20-/m0/s1","","2014-11-24","2015-09-18","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate","2015-09-23"],["3HG","3-HYDROXYPENTANEDIOIC ACID","C5 H8 O5","O=C(O)CC(O)CC(=O)O;OC(CC(O)=O)CC(O)=O;C(C(CC(=O)O)O)C(=O)O","InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)","3-HYDROXYGLUTARIC ACID","2005-06-22","2021-03-01","3-hydroxypentanedioic acid",""],["PKU","4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide","C6 H7 Br N2 O","CNC(=O)c1[nH]cc(Br)c1;CNC(=O)c1cc(c[nH]1)Br","InChI=1S/C6H7BrN2O/c1-8-6(10)5-2-4(7)3-9-5/h2-3,9H,1H3,(H,8,10)","","2016-12-20","2017-04-14","4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide","2017-04-19"],["3HH","N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide","C34 H37 F2 N5 O4","Fc1cc(cc(F)c1)CC(NC(=O)c3c2cc(C#N)ccc2n(c3)C(=O)N(CCCC)C)C(O)CNCc4cccc(OC)c4;CCCCN(C)C(=O)n1cc(C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc(OC)c3)c4cc(ccc14)C#N;CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)NC(Cc3cc(cc(c3)F)F)C(CNCc4cccc(c4)OC)O","InChI=1S/C34H37F2N5O4/c1-4-5-11-40(2)34(44)41-21-29(28-15-22(18-37)9-10-31(28)41)33(43)39-30(16-24-12-25(35)17-26(36)13-24)32(42)20-38-19-23-7-6-8-27(14-23)45-3/h6-10,12-15,17,21,30,32,38,42H,4-5,11,16,19-20H2,1-3H3,(H,39,43)/t30-,32+/m0/s1","","2010-08-19","2011-06-04","N~1~-butyl-5-cyano-N~3~-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]butan-2-yl}-N~1~-methyl-1H-indole-1,3-dicarboxamide",""],["3HI","(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid","C33 H35 F N2 O6","O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4O)C(C)C;CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)Nc4ccccc4O;CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O","InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid",""],["PKV","[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid","C11 H16 B N4 O7 P S","Cc1ccc(cc1)[S](=O)(=O)NCc2cn(CB(O)O[P](O)(O)=O)nn2;B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O","InChI=1S/C11H16BN4O7PS/c1-9-2-4-11(5-3-9)25(21,22)13-6-10-7-16(15-14-10)8-12(17)23-24(18,19)20/h2-5,7,13,17H,6,8H2,1H3,(H2,18,19,20)","","2019-08-16","2024-09-27","[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid","2020-06-24"],["PKW","(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C17 H15 Cl N4 O2","Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12;Cn1cnc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c12;Cn1cnc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["3HJ","N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide","C23 H20 N6 O2","O=C(Nc1ccnc(c1)C)c2cccc(c2)n3ncc(c3)NC(=O)Nc4ccccc4;Cc1cc(NC(=O)c2cccc(c2)n3cc(NC(=O)Nc4ccccc4)cn3)ccn1;Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4","InChI=1S/C23H20N6O2/c1-16-12-19(10-11-24-16)26-22(30)17-6-5-9-21(13-17)29-15-20(14-25-29)28-23(31)27-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26,30)(H2,27,28,31)","","2014-08-19","2015-02-06","N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide","2015-02-11"],["PKX","4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide","C32 H34 N6 O4","Cc1cc(C#N)cc(C)c1Oc1nc(nc2cc(OC)c(OC)cc21)NC1CCN(Cc2ccc(cc2)C(N)=O)CC1;COc1cc2nc(NC3CCN(CC3)Cc4ccc(cc4)C(N)=O)nc(Oc5c(C)cc(cc5C)C#N)c2cc1OC;Cc1cc(cc(c1Oc2c3cc(c(cc3nc(n2)NC4CCN(CC4)Cc5ccc(cc5)C(=O)N)OC)OC)C)C#N","InChI=1S/C32H34N6O4/c1-19-13-22(17-33)14-20(2)29(19)42-31-25-15-27(40-3)28(41-4)16-26(25)36-32(37-31)35-24-9-11-38(12-10-24)18-21-5-7-23(8-6-21)30(34)39/h5-8,13-16,24H,9-12,18H2,1-4H3,(H2,34,39)(H,35,36,37)","","2022-05-27","2025-04-25","4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide","2025-04-30"],["3HK","4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile","C25 H26 N4 O3","N#Cc1ccc(cc1)c2nnc5c2Cc4cc(OCCCN3CCOCC3)c(OC)cc45;COc1cc2c(Cc3c2[nH]nc3c4ccc(cc4)C#N)cc1OCCCN5CCOCC5;COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N","InChI=1S/C25H26N4O3/c1-30-22-15-20-19(14-23(22)32-10-2-7-29-8-11-31-12-9-29)13-21-24(27-28-25(20)21)18-5-3-17(16-26)4-6-18/h3-6,14-15H,2,7-13H2,1H3,(H,27,28)","","2012-07-05","2012-08-17","4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile",""],["PKY","[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid","C10 H12 B N4 O6 P","NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2;B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O","InChI=1S/C10H12BN4O6P/c12-10(16)8-3-1-2-7(4-8)9-5-15(14-13-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H2,12,16)(H2,18,19,20)","","2019-08-16","2024-09-27","[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid","2020-06-24"],["3HL","(3S)-3-HYDROXYBUTANOIC ACID","C4 H8 O3","O=C(O)CC(O)C;C[CH](O)CC(O)=O;CC(CC(=O)O)O","InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1","","2007-02-15","2024-09-27","(3S)-3-hydroxybutanoic acid",""],["PKZ","Palmitoyl-CoA","C37 H66 N7 O17 P3 S","C(CC(SCCNC(CCNC(C(C(C)(COP(OP(OCC3C(C(C(n2c1ncnc(c1nc2)N)O3)O)OP(O)(O)=O)(=O)O)(O)=O)C)O)=O)=O)=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1","","2015-09-29","2025-06-24","S-{(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} hexadecanethioate (non-preferred name)","2016-08-31"],["3HM","5-hydroxy-6-methylpyridine-3-carboxylic acid","C7 H7 N O3","O=C(O)c1cnc(c(O)c1)C;Cc1ncc(cc1O)C(O)=O;Cc1c(cc(cn1)C(=O)O)O","InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)","2-methyl-3-hydroxypyridine-5-carboxylic acid","2009-03-25","2020-06-17","5-hydroxy-6-methylpyridine-3-carboxylic acid",""],["PL0","1-phenylguanidine","C7 H9 N3","[N@H]=C(Nc1ccccc1)N;NC(=N)Nc1ccccc1;[H]N=C(N)Nc1ccccc1","InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)","","2007-06-26","2011-06-04","1-phenylguanidine",""],["3HN","3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide","C23 H19 F N6 O2","Fc1ccc(cc1)NC(=O)Nc2cn(nc2)c4cccc(C(=O)Nc3ccnc(c3)C)c4;Cc1cc(NC(=O)c2cccc(c2)n3cc(NC(=O)Nc4ccc(F)cc4)cn3)ccn1;Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F","InChI=1S/C23H19FN6O2/c1-15-11-19(9-10-25-15)27-22(31)16-3-2-4-21(12-16)30-14-20(13-26-30)29-23(32)28-18-7-5-17(24)6-8-18/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)","","2014-08-19","2015-02-06","3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide","2015-02-11"],["3HO","(3S)-3-hydroxyoctanoic acid","C8 H16 O3","O=C(O)CC(O)CCCCC;CCCCC[CH](O)CC(O)=O;CCCCCC(CC(=O)O)O","InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1","","2008-11-05","2012-04-27","(3S)-3-hydroxyoctanoic acid",""],["PL1","COBALT (III)-DEGLYCOPEPLEOMYCIN","C48 H68 Co N17 O12 S2","O=C(N)C(N)CNC(c1nc(N)c(c([n+]1[Co]OO)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N;C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1c(C)c(N)nc([CH](CC(N)=O)NC[CH](N)C(N)=O)[n+]1[Co]OO)[CH](O)c2c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C(=O)NCCCN[CH](C)c5ccccc5;Cc1c([n+](c(nc1N)C(CC(=O)N)NCC(C(=O)N)N)[Co]OO)C(=O)NC(C(c2c[nH]cn2)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O","InChI=1S/C48H67N17O10S2.Co.H2O2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27;;1-2/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65);;1-2H/q;+2;/p-1/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-;;/m0../s1","","1999-07-08","2011-06-04","For multi-component charged structures, a total zero charge is required!",""],["3HP","3-HYDROXYPHENYLACETATE","C8 H8 O3","O=C(O)Cc1cc(O)ccc1;OC(=O)Cc1cccc(O)c1;c1cc(cc(c1)O)CC(=O)O","InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)","","1999-07-08","2011-06-04","(3-hydroxyphenyl)acetic acid",""],["PL2","(4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C13 H24 N5 O5 P","O=P(O)(O)OCc1cnc(c(O)c1CNCCCCNC(=[N@H])N)C;Cc1ncc(CO[P](O)(O)=O)c(CNCCCCNC(N)=N)c1O;[H]N=C(N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C13H24N5O5P/c1-9-12(19)11(7-16-4-2-3-5-17-13(14)15)10(6-18-9)8-23-24(20,21)22/h6,16,19H,2-5,7-8H2,1H3,(H4,14,15,17)(H2,20,21,22)","","2006-11-14","2011-06-04","(4-{[(4-carbamimidamidobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["PL3","HEXADECAN-1-OL","C16 H34 O","OCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCO;CCCCCCCCCCCCCCCCO","InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3","","2007-03-07","2011-06-04","hexadecan-1-ol",""],["3HQ","3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide","C24 H22 N6 O2","O=C(Nc1ccnc(c1)C)c2cccc(c2)n3ncc(c3)NC(=O)Nc4ccc(cc4)C;Cc1ccc(NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(C)c4)cc1;Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C","InChI=1S/C24H22N6O2/c1-16-6-8-19(9-7-16)28-24(32)29-21-14-26-30(15-21)22-5-3-4-18(13-22)23(31)27-20-10-11-25-17(2)12-20/h3-15H,1-2H3,(H,25,27,31)(H2,28,29,32)","","2014-08-19","2015-02-06","3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide","2015-02-11"],["3HR","(3R)-3-hydroxybutanoic acid","C4 H8 O3","O=C(O)CC(O)C;C[CH](O)CC(O)=O;CC(CC(=O)O)O","InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1","","2012-01-30","2012-02-03","(3R)-3-hydroxybutanoic acid",""],["PL4","(2S,6S)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid","C15 H24 N3 O9 P","O=C(O)C(N)CCCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCC[CH](N)C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCC(C(=O)O)N)C(=O)O)O","InChI=1S/C15H24N3O9P/c1-8-13(19)10(9(5-17-8)7-27-28(24,25)26)6-18-12(15(22)23)4-2-3-11(16)14(20)21/h5,11-12,18-19H,2-4,6-7,16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t11-,12-/m0/s1","","2008-09-22","2011-06-04","(2S,6S)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid",""],["3HS","5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","C29 H18 Cl3 N3 O6","O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)CNC(=O)c4ccc(cc4Cl)c5oc(C(=O)O)cc5;OC(=O)c1oc(cc1)c2ccc(c(Cl)c2)C(=O)NCc3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(O)=O;c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O","InChI=1S/C29H18Cl3N3O6/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(37)38)16-3-1-15(2-4-16)14-33-27(36)19-7-5-17(11-21(19)31)25-9-10-26(41-25)29(39)40/h1-13H,14H2,(H,33,36)(H,37,38)(H,39,40)","","2014-08-20","2014-11-14","5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","2014-11-19"],["PL5","(2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid","C15 H22 N3 O9 P","O=C(O)C(N)CCCC(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C(=O)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCC[CH](N)C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCCC(C(=O)O)N)C(=O)O)O","InChI=1S/C15H22N3O9P/c1-8-13(19)10(9(5-17-8)7-27-28(24,25)26)6-18-12(15(22)23)4-2-3-11(16)14(20)21/h5-6,11-12,19H,2-4,7,16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/b18-6+/t11-,12-/m0/s1","","2008-09-22","2011-06-04","(2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid",""],["PL6","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid","C13 H17 N2 O9 P","O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCC(=O)O)C(=O)O)O","InChI=1S/C13H17N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4-5,10,18H,2-3,6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/b15-5+/t10-/m0/s1","","2008-09-22","2011-06-04","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid",""],["3HT","5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione","C16 H12 N4 O2 S","S=C1OC(=NN1)c4cc2c(ncn2c3ccc(OC)cc3)cc4;COc1ccc(cc1)n2cnc3ccc(cc23)C4=NNC(=S)O4;COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4","InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23)","","2008-11-19","2011-06-04","5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione",""],["PL7","(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID","C16 H18 N2 O9","O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O;OC(=O)CCC(=NOC[CH](NC(=O)COc1ccccc1)C(O)=O)C(O)=O;c1ccc(cc1)OCC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1","PHENYLACETYL LACTIVICIN","2006-12-23","2024-09-27","(2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid",""],["3HU","(S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE","C15 H13 N3 O6 S2","O=C(O)C(N)CN1C(=O)N(C(=O)c2cscc12)Cc3c(scc3)C(=O)O;N[CH](CN1C(=O)N(Cc2ccsc2C(O)=O)C(=O)c3cscc13)C(O)=O;c1csc(c1CN2C(=O)c3cscc3N(C2=O)CC(C(=O)O)N)C(=O)O","InChI=1S/C15H13N3O6S2/c16-9(13(20)21)4-17-10-6-25-5-8(10)12(19)18(15(17)24)3-7-1-2-26-11(7)14(22)23/h1-2,5-6,9H,3-4,16H2,(H,20,21)(H,22,23)/t9-/m0/s1","","2011-05-20","2011-06-17","3-({1-[(2S)-2-amino-2-carboxyethyl]-2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl}methyl)thiophene-2-carboxylic acid",""],["PL8","[5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate","C16 H22 N3 O7 P","O=C2C(NCc1c(cnc(c1O)C)COP(=O)(O)O)=CC=C(N2)CCCO;Cc1ncc(CO[P](O)(O)=O)c(CNC2=CC=C(CCCO)NC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O","InChI=1S/C16H22N3O7P/c1-10-15(21)13(11(7-17-10)9-26-27(23,24)25)8-18-14-5-4-12(3-2-6-20)19-16(14)22/h4-5,7,18,20-21H,2-3,6,8-9H2,1H3,(H,19,22)(H2,23,24,25)","","2011-09-20","2011-10-14","[5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate",""],["3HV","5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","C31 H21 Cl2 N3 O5 S","O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)CN5C(=S)c4ccc(cc4CC5)c6oc(C(=O)O)cc6;OC(=O)c1oc(cc1)c2ccc3C(=S)N(CCc3c2)Cc4ccc(cc4)c5cc(nn5c6ccc(Cl)c(Cl)c6)C(O)=O;c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O","InChI=1S/C31H21Cl2N3O5S/c32-23-8-6-21(14-24(23)33)36-26(15-25(34-36)30(37)38)18-3-1-17(2-4-18)16-35-12-11-19-13-20(5-7-22(19)29(35)42)27-9-10-28(41-27)31(39)40/h1-10,13-15H,11-12,16H2,(H,37,38)(H,39,40)","","2014-08-20","2014-11-14","5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","2014-11-19"],["PL9","2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE","C53 H80 O2","O=C1C(=CC(=O)C(=C1C)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)C(=C(C)C1=O)C;CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C","InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3","PLASTOQUINONE 9","2001-06-25","2021-03-01","2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione",""],["3HW","5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","C29 H19 Cl2 N3 O5 S","O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)C(=S)NCc4ccc(cc4)c5oc(C(=O)O)cc5;OC(=O)c1oc(cc1)c2ccc(CNC(=S)c3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(O)=O)cc2;c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O","InChI=1S/C29H19Cl2N3O5S/c30-21-10-9-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-5-7-19(8-6-17)27(40)32-15-16-1-3-18(4-2-16)25-11-12-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)","","2014-08-20","2014-11-14","5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","2014-11-19"],["3HX","(4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE","C8 H21 N7 O3","[O-][N+](=O)NC(=[N@H])NCCCC(N)CN(O)CCN;NCCN(O)C[CH](N)CCCNC(=N)N[N+]([O-])=O;[H]N=C(NCCCC(CN(CCN)O)N)N[N+](=O)[O-]","InChI=1S/C8H21N7O3/c9-3-5-14(16)6-7(10)2-1-4-12-8(11)13-15(17)18/h7,16H,1-6,9-10H2,(H3,11,12,13)/t7-/m0/s1","","2006-08-07","2011-06-04","1-{(4S)-4-amino-5-[(2-aminoethyl)(hydroxy)amino]pentyl}-3-nitroguanidine",""],["PLA","2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID","C13 H19 N2 O9 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(CC(=O)O)C(=O)O)O","InChI=1S/C13H19N2O9P/c1-7-11(18)9(8(4-14-7)6-24-25(21,22)23)5-15-13(2,12(19)20)3-10(16)17/h4,15,18H,3,5-6H2,1-2H3,(H,16,17)(H,19,20)(H2,21,22,23)/t13-/m0/s1","N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE","1999-07-08","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-aspartic acid",""],["PLB","2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID","C18 H11 Cl2 N3 O4","Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3;OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)cc3Cl;c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl","InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)","5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID","2004-08-24","2021-03-01","2-{[(2,4-dichlorophenyl)carbonyl]amino}-5-(pyrimidin-2-yloxy)benzoic acid",""],["3HY","3-(hydroxymethyl)phenol","C7 H8 O2","OCc1cc(O)ccc1;OCc1cccc(O)c1;c1cc(cc(c1)O)CO","InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2","","2013-10-03","2013-10-18","3-(hydroxymethyl)phenol","2013-10-23"],["PLC","DIUNDECYL PHOSPHATIDYL CHOLINE","C32 H65 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC","InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1","","1999-07-08","2011-06-04","(4R,7R)-7-(dodecanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide",""],["3HZ","5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","C31 H23 Cl2 N3 O6","O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)CN(C(=O)C)Cc4ccc(cc4)c5oc(C(=O)O)cc5;CC(=O)N(Cc1ccc(cc1)c2oc(cc2)C(O)=O)Cc3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(O)=O;CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O","InChI=1S/C31H23Cl2N3O6/c1-18(37)35(17-20-4-8-22(9-5-20)28-12-13-29(42-28)31(40)41)16-19-2-6-21(7-3-19)27-15-26(30(38)39)34-36(27)23-10-11-24(32)25(33)14-23/h2-15H,16-17H2,1H3,(H,38,39)(H,40,41)","","2014-08-20","2014-11-14","5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","2014-11-19"],["PLD","di-heneicosanoyl phosphatidyl choline","C50 H101 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC","InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/p+1/t48-/m1/s1","","2002-07-25","2021-08-11","(4S,7R)-7-(henicosanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatriacontan-1-aminium 4-oxide",""],["3I0","4-amino-5-hydroxynaphthalene-2,7-disulfonic acid","C10 H9 N O7 S2","O=S(=O)(O)c1cc2cc(cc(O)c2c(N)c1)S(=O)(=O)O;Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O;c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O","InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)","","2021-07-05","2021-11-26","4-amino-5-hydroxynaphthalene-2,7-disulfonic acid","2021-12-01"],["PLE","[(1R)-1-amino-3-methylbutyl]phosphonic acid","C5 H14 N O3 P","O=P(O)(O)C(N)CC(C)C;CC(C)C[CH](N)[P](O)(O)=O;CC(C)CC(N)P(=O)(O)O","InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1","","1999-07-08","2011-08-06","[(1R)-1-amino-3-methylbutyl]phosphonic acid",""],["3I2","D-3-deoxy-myo-inositol 1,4,6-trisphosphate","C6 H15 O14 P3","O[CH]1C[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4+,5-,6-/m1/s1","[(1R,2S,3R,4R,5R)-2,5-bis(oxidanyl)-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2023-07-12","2024-02-23","[(1~{R},2~{S},3~{R},4~{R},5~{R})-2,5-bis(oxidanyl)-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2024-02-28"],["3I3","4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine","C19 H20 F3 N5 O2 S","CS(=O)(=O)c1cccc2c1[NH]cc2c1nc(ncc1C(F)(F)F)NC1CCCNC1;C[S](=O)(=O)c1cccc2c1[nH]cc2c3nc(N[CH]4CCCNC4)ncc3C(F)(F)F;CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)NC4CCCNC4)C(F)(F)F","InChI=1S/C19H20F3N5O2S/c1-30(28,29)15-6-2-5-12-13(9-24-17(12)15)16-14(19(20,21)22)10-25-18(27-16)26-11-4-3-7-23-8-11/h2,5-6,9-11,23-24H,3-4,7-8H2,1H3,(H,25,26,27)/t11-/m0/s1","","2021-07-05","2021-10-29","4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine","2021-11-03"],["PLF","2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID","C9 H14 N4 O2","O=C(O)C(n1nnc(c1)C2NCCC2)C;C[CH](n1cc(nn1)[CH]2CCCN2)C(O)=O;CC(C(=O)O)n1cc(nn1)C2CCCN2","InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1","","2011-12-08","2024-09-27","(2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid",""],["PLG","N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]","C10 H15 N2 O7 P","O=P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CNCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O","InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)","N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE","1999-12-01","2024-09-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)glycine",""],["3I4","(2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide","C12 H18 N4 O6 S","NC(=O)[CH](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1CONCC(=O)NC(CO)C(=O)N)S(=O)(=O)N","InChI=1S/C12H18N4O6S/c13-12(19)10(6-17)16-11(18)5-15-22-7-8-1-3-9(4-2-8)23(14,20)21/h1-4,10,15,17H,5-7H2,(H2,13,19)(H,16,18)(H2,14,20,21)/t10-/m0/s1","","2021-06-25","2023-01-13","(2~{S})-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide","2023-01-18"],["PLH","METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID","C18 H27 N3 O4","O=C(NO)CC(C(=O)NC(C(=O)NC)Cc1ccccc1)CC(C)C;CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)CC(=O)NO;CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)NC","InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1","","1999-07-08","2011-06-04","(2R)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)butanediamide",""],["3I5","(3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","C16 H16 F N3 O2","Fc1ccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c2c1;c1cc2c(cc1F)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3","InChI=1S/C16H16FN3O2/c17-10-3-4-12-11(7-10)9(8-18-12)6-13-16(22)20-5-1-2-14(20)15(21)19-13/h3-4,7-8,13-14,18H,1-2,5-6H2,(H,19,21)/t13-,14-/m0/s1","","2022-12-19","2023-04-14","(3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","2023-04-19"],["3I6","4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE","C13 H16 Br N5 O3 S","O=S(=O)(N)c1ccc(cc1)Nc2nc(c(Br)cn2)NC(C)CO;C[CH](CO)Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)ncc1Br;CC(CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br","InChI=1S/C13H16BrN5O3S/c1-8(7-20)17-12-11(14)6-16-13(19-12)18-9-2-4-10(5-3-9)23(15,21)22/h2-6,8,20H,7H2,1H3,(H2,15,21,22)(H2,16,17,18,19)/t8-/m1/s1","","2013-03-26","2014-09-05","4-[(5-bromo-4-{[(2R)-1-hydroxypropan-2-yl]amino}pyrimidin-2-yl)amino]benzenesulfonamide","2013-09-04"],["PLI","(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID","C11 H15 N2 O7 P","O=C(O)/C(=N/C=C1C(O)=C(NC=C1COP(=O)(O)O)C)C;CC1=C(O)C(=CN=C(C)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(C)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,12,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b9-4-,13-7+","","2008-01-14","2011-06-04","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid",""],["PLJ","methyl L-prolinate","C6 H11 N O2","O=C(OC)C1NCCC1;COC(=O)[CH]1CCCN1;COC(=O)C1CCCN1","InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1","","2011-12-12","2024-09-27","methyl L-prolinate","2012-11-16"],["3I7","3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium","C19 H21 N4 O2","O=C(c2c(OCCC[NH3+])cc(c1cnnc1)cc2)Nc3ccccc3;[NH3+]CCCOc1cc(ccc1C(=O)Nc2ccccc2)c3c[nH]nc3;c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3","InChI=1S/C19H20N4O2/c20-9-4-10-25-18-11-14(15-12-21-22-13-15)7-8-17(18)19(24)23-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,20H2,(H,21,22)(H,23,24)/p+1","","2014-05-13","2014-10-10","3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium","2014-10-15"],["PLK","(3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID","C15 H25 N2 O7 P","O=C(O)CC(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C)C;CC(C)C[CH](CC(O)=O)NCc1c(O)c(C)ncc1CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CC(C)C)CC(=O)O)O","InChI=1S/C15H25N2O7P/c1-9(2)4-12(5-14(18)19)17-7-13-11(8-24-25(21,22)23)6-16-10(3)15(13)20/h6,9,12,17,20H,4-5,7-8H2,1-3H3,(H,18,19)(H2,21,22,23)/t12-/m1/s1","R-3-amino-5-methylhexanoicacid-pyridoxal-5p-phosphate","2011-05-30","2020-06-17","(3R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid",""],["3IA","L-scyllo-inositol 1,2,4-trisphosphate","C6 H15 O15 P3","O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5+,6+/m0/s1","[(1R,2S,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2023-07-12","2024-02-23","[(1~{R},2~{S},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2024-02-28"],["3IB","3-INDOLEBUTYRIC ACID","C12 H13 N O2","O=C(O)CCCc2c1ccccc1nc2;OC(=O)CCCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCCC(=O)O","InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)","","1999-07-08","2024-09-27","4-(1H-indol-3-yl)butanoic acid",""],["PLL","Palladium(II) allyl complex","C3 H5 Pd","[Pd]21CC1C2;[Pd].CCC;C1C2[Pd]1C2","InChI=1S/C3H5.Pd/c1-3-2;/h3H,1-2H2;","","2008-01-31","2023-09-23","[(1,2,3-eta)-propane-1,2,3-triyl]palladium",""],["PLM","PALMITIC ACID","C16 H32 O2","O=C(O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCC(=O)O","InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)","","1999-07-08","2024-09-27","hexadecanoic acid",""],["3ID","3H-INDOLE-5,6-DIOL","C8 H7 N O2","Oc1cc2c(cc1O)ncc2;Oc1cc2[nH]ccc2cc1O;c1c[nH]c2c1cc(c(c2)O)O","InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H","","2000-07-13","2011-06-04","1H-indole-5,6-diol",""],["3IE","(2~{S})-1-methoxypropan-2-amine","C4 H11 N O","COC[CH](C)N;CC(COC)N","InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1","","2021-06-25","2021-11-26","(2~{S})-1-methoxypropan-2-amine","2021-12-01"],["PLO","(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE","C21 H32 O2","O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(O)C4)C)C;CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1","PREGNENOLONE","2003-07-31","2021-03-01","(3alpha,8alpha)-3-hydroxypregn-5-en-20-one",""],["PLP","PYRIDOXAL-5'-PHOSPHATE","C8 H10 N O6 P","O=P(O)(O)OCc1cnc(c(O)c1C=O)C;Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O","InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)","VITAMIN B6 Phosphate","1999-07-08","2024-09-27","(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["3IF","N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide","C25 H23 N5 O3","CN1C(=O)[CH](COc2ccc(cc12)C#CC3CC3)NC(=O)c4[nH]c(Cc5ccccc5)nn4;CN1c2cc(ccc2OCC(C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5","InChI=1S/C25H23N5O3/c1-30-20-13-18(10-9-16-7-8-16)11-12-21(20)33-15-19(25(30)32)26-24(31)23-27-22(28-29-23)14-17-5-3-2-4-6-17/h2-6,11-13,16,19H,7-8,14-15H2,1H3,(H,26,31)(H,27,28,29)/t19-/m0/s1","","2021-07-16","2022-01-14","~{N}-[(3~{S})-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4~{H}-1,2,4-triazole-3-carboxamide","2022-01-19"],["PLQ","1,4-benzoquinone","C6 H4 O2","O=C1C=CC(=O)C=C1;O=C1C=CC(=O)C=C1;C1=CC(=O)C=CC1=O","InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H","cyclohexa-2,5-diene-1,4-dione; QUINONE RING OF THE PLASTOQUINONE 9","2007-11-13","2020-06-17","cyclohexa-2,5-diene-1,4-dione",""],["3IG","N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE","C20 H26 N6 O3","O=C(NCCN1c3c(OC(C1=O)(C)C)ccc(c2c(nc(nc2N)N)CC)c3)C;CCc1nc(N)nc(N)c1c2ccc3OC(C)(C)C(=O)N(CCNC(C)=O)c3c2;CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C","InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)","","2006-02-21","2011-06-04","N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}acetamide",""],["3IH","N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE","C35 H48 N6 O8","n1c(cc(o1)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C=CC(=O)OCc2ccccc2)CC3CCNC3=O;CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](C)NC(=O)c1cc(C)on1)C(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C=CC(=O)OCc3ccccc3;Cc1cc(no1)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C=CC(=O)OCc3ccccc3","InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12+/t23-,25-,26+,27-,30-/m0/s1","(E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID BENZYL ESTER","2005-08-22","2015-12-07","N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide",""],["PLR","(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C8 H12 N O5 P","O=P(O)(O)OCc1cnc(c(O)c1C)C;Cc1ncc(CO[P](O)(O)=O)c(C)c1O;Cc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)","4'-DEOXYPYRIDOXINE PHOSPHATE","2003-07-03","2024-09-27","(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate",""],["3II","N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide","C32 H34 Cl2 N4 O5","Clc1ccc(c(Cl)c1)CCNC(=O)CN3C(=O)C5(N(c2ccccc2)C3)CCN(C(=O)c4ccc(OC)cc4OC)CC5;COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc4ccc(Cl)cc4Cl)C3=O)c5ccccc5)c(OC)c1;COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl","InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)","","2009-08-04","2011-06-04","N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide",""],["PLS","[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE","C11 H17 N2 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O","InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1","PYRIDOXYL-SERINE-5-MONOPHOSPHATE","1999-07-08","2024-09-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine",""],["PLT","[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE","C19 H20 N3 O7 P","O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(C(=O)O)Cc3c2ccccc2nc3)C;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](Cc2c[nH]c3ccccc23)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(Cc2c[nH]c3c2cccc3)C(=O)O)O","InChI=1S/C19H20N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-9,17,21,23H,6,10H2,1H3,(H,24,25)(H2,26,27,28)/b22-9+/t17-/m0/s1","","1999-07-08","2011-06-04","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-tryptophan",""],["3IK","(2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine","C15 H33 N O5","COCCOC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)N;CC(COC(C)COC(C)COC(C)COCCOC)N","InChI=1S/C15H33NO5/c1-12(16)8-19-14(3)10-21-15(4)11-20-13(2)9-18-7-6-17-5/h12-15H,6-11,16H2,1-5H3/t12-,13+,14-,15+/m1/s1","","2021-06-25","2021-11-26","(2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine","2021-12-01"],["PLU","LEUCINE PHOSPHONIC ACID","C5 H14 N O3 P","O=P(O)(O)C(N)CC(C)C;CC(C)C[CH](N)[P](O)(O)=O;CC(C)CC(N)P(=O)(O)O","InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1","","1999-07-08","2011-06-04","[(1R)-1-amino-3-methylbutyl]phosphonic acid",""],["3IL","3-(INDOL-3-YL) LACTATE","C11 H11 N O3","O=C(O)C(O)Cc2c1ccccc1nc2;O[CH](Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O","InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1","(2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID","2005-09-07","2021-03-01","(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid",""],["PLV","N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE","C12 H19 N2 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)COC;COC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(COC)C(=O)O)O","InChI=1S/C12H19N2O8P/c1-7-11(15)9(4-14-10(6-21-2)12(16)17)8(3-13-7)5-22-23(18,19)20/h3,10,14-15H,4-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1","PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE","2003-07-15","2021-03-01","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-O-methyl-L-serine",""],["3IM","2,6-ditert-butyl-4-methyl-phenol","C15 H24 O","Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C;Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3","2,6-di-tert-butyl-p-cresol","2021-07-18","2022-07-08","2,6-di~{tert}-butyl-4-methyl-phenol","2022-07-13"],["PLW","(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID","C10 H18 N4 O2","O=C(O)C(n1nncc1C(N)C(C)CC)C;CC[CH](C)[CH](N)c1cnnn1[CH](C)C(O)=O;CCC(C)C(c1cnnn1C(C)C(=O)O)N","InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1","","2011-12-08","2024-09-27","(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid",""],["3IN","N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE","C37 H55 Cl N8 O5","O=C(NC1C(C)CCC1O)C(Cc2ccccc2)CC(O)CN5C(C(=O)NC(C)(C)C)CN(C(=O)c3nc(Cl)c(nc3)N4CCN(C)CC4)CC5;C[CH]1CC[CH](O)[CH]1NC(=O)[CH](C[CH](O)CN2CCN(C[CH]2C(=O)NC(C)(C)C)C(=O)c3cnc(N4CCN(C)CC4)c(Cl)n3)Cc5ccccc5;CC1CCC(C1NC(=O)C(Cc2ccccc2)CC(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O","InChI=1S/C37H55ClN8O5/c1-24-11-12-30(48)31(24)41-34(49)26(19-25-9-7-6-8-10-25)20-27(47)22-45-17-18-46(23-29(45)35(50)42-37(2,3)4)36(51)28-21-39-33(32(38)40-28)44-15-13-43(5)14-16-44/h6-10,21,24,26-27,29-31,47-48H,11-20,22-23H2,1-5H3,(H,41,49)(H,42,50)/t24-,26+,27-,29-,30+,31-/m0/s1","","1999-07-08","2011-06-04","(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-N-tert-butyl-4-{[6-chloro-5-(4-methylpiperazin-1-yl)pyrazin-2-yl]carbonyl}piperazine-2-carboxamide (non-preferred name)",""],["PLX","(9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL","C42 H89 N O8 P","O=P(OCC(OC(O)CCCCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O;CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(O)OC(COC(CCCCCCCCCCCCCCC)O)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/p+1/t40-,41+,42+/m1/s1","","2005-10-18","2011-06-04","(4R,7R,9S)-4,9-dihydroxy-7-({[(1S)-1-hydroxyhexadecyl]oxy}methyl)-N,N,N-trimethyl-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide",""],["3IO","3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID","C11 H9 N O3","O=C(O)C(=O)Cc2c1ccccc1nc2;OC(=O)C(=O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O","InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)","","2006-03-06","2011-06-04","3-(1H-indol-3-yl)-2-oxopropanoic acid",""],["3IP","3-(BENZYLOXY)PYRIDIN-2-AMINE","C12 H12 N2 O","O(c1cccnc1N)Cc2ccccc2;Nc1ncccc1OCc2ccccc2;c1ccc(cc1)COc2cccnc2N","InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)","","2004-09-02","2011-06-04","3-(benzyloxy)pyridin-2-amine",""],["PLY","PALMITOYL","C16 H32 O","O=CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC=O;CCCCCCCCCCCCCCCC=O","InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3","","1999-07-08","2008-10-14","hexadecanal",""],["3IQ","(3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium","C13 H16 N3","CC1C=C(C[NH2+]C1)c1c[NH]c2ncccc21;C[CH]1C[NH2+]CC(=C1)c2c[nH]c3ncccc23;CC1C[NH2+]CC(=C1)c2c[nH]c3c2cccn3","InChI=1S/C13H15N3/c1-9-5-10(7-14-6-9)12-8-16-13-11(12)3-2-4-15-13/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)/p+1/t9-/m1/s1","","2021-07-06","2022-07-01","(3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium","2022-07-06"],["PLZ","4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID","C12 H19 N2 O7 P","O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O","InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)","","2007-01-18","2024-09-27","4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid",""],["3IR","(1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide","C13 H12 N2 O S","O=C(Nc1sccn1)[CH]2C[CH]2c3ccccc3;c1ccc(cc1)C2CC2C(=O)Nc3nccs3","InChI=1S/C13H12N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,14,15,16)/t10-,11+/m0/s1","((1R,2R)-2-Phenyl-N-(1,3-thiazol-2-yl) cyclopropanecarboxamide","2021-06-25","2021-12-03","(1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide","2021-12-08"],["PM0","premithramycin B","C53 H72 O24","O=C8c4c(cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(=O)C(C(=O)C)=C(O)C9OC;CO[CH]1[CH]2Cc3cc4cc(O[CH]5C[CH](O[CH]6C[CH](O)[CH](O)[CH](C)O6)[CH](O)[CH](C)O5)c(C)c(O)c4c(O)c3C(=O)[C]2(O[CH]7C[CH](O[CH]8C[CH](O[CH]9C[C](C)(O)[CH](O)[CH](C)O9)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)C(=O)C(=C1O)C(C)=O;Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C4(C(C3)C(C(=C(C4=O)C(=O)C)O)OC)OC5CC(C(C(O5)C)O)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)(C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)O","InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1","(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}\n-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl\n2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-\narabino-hexopyranoside","2010-12-06","2020-06-17","(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside","2013-10-09"],["PM1","[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE","C21 H13 F2 N3 O2","Fc1cccc(F)c1C(=O)c2ccc3nc(c(n3c2)C(=O)c4ccccc4)N;Nc1nc2ccc(cn2c1C(=O)c3ccccc3)C(=O)c4c(F)cccc4F;c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N","InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2","","2003-07-21","2011-06-04","{2-amino-6-[(2,6-difluorophenyl)carbonyl]imidazo[1,2-a]pyridin-3-yl}(phenyl)methanone",""],["3IS","5-chloranyl-1,3-dihydroindol-2-one","C8 H6 Cl N O","Clc1ccc2NC(=O)Cc2c1;c1cc2c(cc1Cl)CC(=O)N2","InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)","","2020-05-05","2024-09-27","5-chloranyl-1,3-dihydroindol-2-one","2021-05-12"],["PM2","1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE","C26 H29 N3 O","O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3)CN)CC4;NCc1cccc(c1)C2CCN(CC2)C(=O)c3cncc(CCc4ccccc4)c3;c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN","InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2","[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE","2005-03-09","2020-06-17","1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine",""],["3IT","2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one","C10 H10 O2","C=C(/C)C=1C=CC=CC(=O)C=1O;CC(=C)C1=C(O)C(=O)C=CC=C1;CC(=C)C1=C(C(=O)C=CC=C1)O","InChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12)","3-isopropenyl-tropolone","2015-03-20","2021-03-01","2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one","2015-10-21"],["PM3","2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID","C10 H14 N O5 P","O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O;N[CH](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)CP(=O)(O)O","InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1","","2006-05-03","2024-09-27","4-(phosphonomethyl)-L-phenylalanine",""],["3IU","N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide","C27 H27 N5 O4","CN1C(=O)[CH](COc2ccc(cc12)C#CC3CCOCC3)NC(=O)c4[nH]c(Cc5ccccc5)nn4;CN1c2cc(ccc2OCC(C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5","InChI=1S/C27H27N5O4/c1-32-22-15-20(8-7-18-11-13-35-14-12-18)9-10-23(22)36-17-21(27(32)34)28-26(33)25-29-24(30-31-25)16-19-5-3-2-4-6-19/h2-6,9-10,15,18,21H,11-14,16-17H2,1H3,(H,28,33)(H,29,30,31)/t21-/m0/s1","","2021-07-19","2022-01-14","~{N}-[(3~{S})-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4~{H}-1,2,4-triazole-3-carboxamide","2022-01-19"],["PM4","S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE","C17 H33 N2 O7 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCC;CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O;CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)O","InChI=1S/C17H33N2O7PS/c1-4-5-6-7-14(21)28-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-26-27(24)25/h15,22,27H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H,24,25)/t15-/m0/s1","","2005-12-19","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] hexanethioate",""],["3IV","(11E)-hexadec-11-enoic acid","C16 H30 O2","O=C(O)CCCCCCCCCC=CCCCC;CCCCC=CCCCCCCCCCC(O)=O;CCCCC=CCCCCCCCCCC(=O)O","InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+","","2021-07-06","2023-09-15","(11E)-hexadec-11-enoic acid","2023-09-20"],["PM5","S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE","C18 H35 N2 O7 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC;CCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O;CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)O","InChI=1S/C18H35N2O7PS/c1-4-5-6-7-8-15(22)29-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-27-28(25)26/h16,23,28H,4-13H2,1-3H3,(H,19,21)(H,20,24)(H,25,26)/t16-/m0/s1","","2005-12-19","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] heptanethioate",""],["3IX","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate","C41 H66 N7 O17 P3 S","CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1","Arachidonyl-CoA","2021-07-19","2021-12-07","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenethioate","2021-12-01"],["PM6","9H-purine-6-thiol","C5 H4 N4 S","n2c1c(ncn1)c(nc2)S;Sc1ncnc2[nH]cnc12;c1[nH]c2c(n1)c(ncn2)S","InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)","6-Mercaptopurine","2007-12-01","2020-06-17","9H-purine-6-thiol",""],["3IY","[(2~{R})-1-dodecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (8~{Z},11~{Z},14~{Z},24~{Z},27~{Z})-triaconta-8,11,14,24,27-pentaenoate","C50 H91 N O8 P","C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCC/C=CC/C=CC/C=CCCCCCCCC/C=CC/C=CCC;CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCC=CCC=CCCCCCCCCC=CCC=CCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCC=CCC=CCCCCCCCCC=CCC=CCC","InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-15-13-11-9-7-2/h8,10,14,16,25-26,28-29,31-32,48H,6-7,9,11-13,15,17-24,27,30,33-47H2,1-5H3/p+1/b10-8-,16-14-,26-25-,29-28-,32-31-/t48-/m1/s1","","2021-07-06","2023-09-15","(4R,7R,16Z,19Z,22Z,32Z,35Z)-7-[(dodecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphaoctatriaconta-16,19,22,32,35-pentaen-1-aminium","2023-09-20"],["3IZ","(2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine","C12 H27 N O4","COCCOC[CH](C)OC[CH](C)OC[CH](C)N;CC(COC(C)COC(C)COCCOC)N","InChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1","","2021-06-26","2021-11-26","(2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine","2021-12-01"],["PM7","(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","C21 H25 N3 O","N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c1[nH]c6ccccc56)NC4=O;CC1(c2c(c3ccccc3[nH]2)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1","premalbrancheamide E","2017-07-17","2021-03-01","(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2017-08-16"],["3J0","5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","C29 H19 Cl2 N3 O5 S","O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)CNC(=S)c4ccc(cc4)c5oc(C(=O)O)cc5;OC(=O)c1oc(cc1)c2ccc(cc2)C(=S)NCc3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(O)=O;c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O","InChI=1S/C29H19Cl2N3O5S/c30-21-10-9-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-3-1-16(2-4-17)15-32-27(40)19-7-5-18(6-8-19)25-11-12-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)","","2014-08-20","2014-11-14","5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","2014-11-19"],["PM8","S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE","C21 H41 N2 O7 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCCCCC;CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O;CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)O","InChI=1S/C21H41N2O7PS/c1-4-5-6-7-8-9-10-11-18(25)32-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-30-31(28)29/h19,26,31H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H,28,29)/t19-/m0/s1","","2005-12-19","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] decanethioate",""],["PM9","(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID","C13 H19 N2 O7 P S","O=C(O)/C(=N/C=C1C(O)=C(NC=C1COP(=O)(O)O)C)CCSC;CSCCC(=NC=C1C(=C(C)NC=C1CO[P](O)(O)=O)O)C(O)=O;CC1=C(C(=CN=C(CCSC)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,14,16H,3-4,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b10-6-,15-11+","","2008-01-14","2011-06-04","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid",""],["3J1","8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one","C19 H16 N4 O2","O=C1c4cccc(c4N=C(N1)c3ccc(c2cn(nc2)C)cc3)CO;Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(CO)cccc4C(=O)N3;Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO","InChI=1S/C19H16N4O2/c1-23-10-15(9-20-23)12-5-7-13(8-6-12)18-21-17-14(11-24)3-2-4-16(17)19(25)22-18/h2-10,24H,11H2,1H3,(H,21,22,25)","","2014-08-21","2015-05-08","8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one","2015-05-13"],["PMA","PYROMELLITIC ACID","C10 H6 O8","O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O;OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O;c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)","","1999-07-08","2011-06-04","benzene-1,2,4,5-tetracarboxylic acid",""],["3J2","Nagilactone C","C19 H22 O7","O=C1OC(=C5C(=C1)C4(C2OC2C(O)C3(C(=O)OC(C34)C5O)C)C)C(C)C;CC(C)C1=C2[CH](O)[CH]3OC(=O)[C]4(C)[CH](O)[CH]5O[CH]5[C](C)([CH]34)C2=CC(=O)O1;CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O","InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m1/s1","","2014-08-22","2014-10-17","(1aR,2R,2aR,4aS,4bR,5R,9bS,9cS)-2,5-dihydroxy-2a,9b-dimethyl-6-(propan-2-yl)-1a,2,2a,4a,4b,5,9b,9c-octahydro-3H,8H-oxireno[5,6][2]benzofuro[7,1-fg]isochromene-3,8-dione","2014-10-22"],["PMB","PARA-MERCURY-BENZENESULFONIC ACID","C6 H5 Hg O3 S","[Hg]c1ccc(cc1)S(=O)(=O)O;O[S](=O)(=O)c1ccc([Hg])cc1;c1cc(ccc1S(=O)(=O)O)[Hg]","InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6;/h2-5H,(H,7,8,9);","","1999-07-08","2011-06-04","(4-sulfophenyl)mercury",""],["3J3","(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol","C11 H22 N2 O10 S2","O=S(=O)(N1CCC(OS(=O)(=O)N)CC1)C2OC(C(O)C(O)C2O)CO;N[S](=O)(=O)O[CH]1CCN(CC1)[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8+,9+,10-,11-/m1/s1","","2014-08-22","2020-07-17","(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol","2014-10-15"],["PMC","3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID","C7 H8 N O5 P","O=C(O)c1ncccc1CP(=O)(O)O;OC(=O)c1ncccc1C[P](O)(O)=O;c1cc(c(nc1)C(=O)O)CP(=O)(O)O","InChI=1S/C7H8NO5P/c9-7(10)6-5(2-1-3-8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)","","2001-02-21","2011-06-04","3-(phosphonomethyl)pyridine-2-carboxylic acid",""],["3J4","(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol","C10 H20 N2 O10 S2","O=S(=O)(N1CCC(OS(=O)(=O)N)C1)C2OC(C(O)C(O)C2O)CO;N[S](=O)(=O)O[CH]1CCN(C1)[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;C1CN(CC1OS(=O)(=O)N)S(=O)(=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6?,7-,8+,9+,10+/m1/s1","","2014-08-25","2020-07-17","(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol","2014-10-15"],["3J5","2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one","C27 H29 N5 O2","O=C1c5cccc(c5N=C(N1)c2ccc(cc2)c3c(cc(nc3)N4CC(N(C)CC4)C)C)CO;C[CH]1CN(CCN1C)c2cc(C)c(cn2)c3ccc(cc3)C4=Nc5c(CO)cccc5C(=O)N4;Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN(C(C5)C)C","InChI=1S/C27H29N5O2/c1-17-13-24(32-12-11-31(3)18(2)15-32)28-14-23(17)19-7-9-20(10-8-19)26-29-25-21(16-33)5-4-6-22(25)27(34)30-26/h4-10,13-14,18,33H,11-12,15-16H2,1-3H3,(H,29,30,34)/t18-/m0/s1","","2014-08-22","2015-05-08","2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one","2015-05-13"],["PMD","[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE","C21 H17 N7","n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cccc4;Nc1nc(N)c2nc(CN3c4ccccc4C=Cc5ccccc35)cnc2n1;c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N","InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)","","2002-01-08","2011-06-04","6-(5H-dibenzo[b,f]azepin-5-ylmethyl)pteridine-2,4-diamine",""],["PME","N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER","C14 H18 N2 O5","O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1;COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)CC(O)=O;COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)N","InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1","ASPARTAME","1999-07-08","2020-06-17","methyl L-alpha-aspartyl-L-phenylalaninate",""],["3J6","(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one","C15 H20 O6","O=C4C(=CC3OC2C1(OC1)C(CC2O)(C)C3(CO)C4O)C;CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]34CO4)[C]2(CO)[CH](O)C1=O;CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO","InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1","","2014-08-22","2014-10-17","(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one","2014-10-22"],["3J7","N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine","C18 H19 N7","n2cc1cc(ccc1n2)c4nc3cnccc3c(n4)NCC(N)(C)C;CC(C)(N)CNc1nc(nc2cnccc12)c3ccc4[nH]ncc4c3;CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N","InChI=1S/C18H19N7/c1-18(2,19)10-21-17-13-5-6-20-9-15(13)23-16(24-17)11-3-4-14-12(7-11)8-22-25-14/h3-9H,10,19H2,1-2H3,(H,22,25)(H,21,23,24)","","2014-08-25","2014-10-10","N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine","2014-10-15"],["PMF","phenylmethylsulfonyl fluoride","C7 H7 F O2 S","O=S(F)(=O)Cc1ccccc1;F[S](=O)(=O)Cc1ccccc1;c1ccc(cc1)CS(=O)(=O)F","InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2","PMSF","2001-03-29","2026-02-13","phenylmethanesulfonyl fluoride","2019-01-16"],["PMG","N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID","C14 H21 N2 O9 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CCC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CCC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(CCC(=O)O)C(=O)O)O","InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1","N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE","2005-04-25","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-glutamic acid",""],["3J8","5-methylphenazin-1(5H)-one","C13 H10 N2 O","O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C;CN1c2ccccc2N=C3C(=O)C=CC=C13;CN1c2ccccc2N=C3C1=CC=CC3=O","InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3","Pyocyanin; Pyrocyanine; Sanasin; Sanazin","2009-09-25","2020-06-17","5-methylphenazin-1(5H)-one",""],["PMH","(5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C11 H14 N3 O7 P","O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O;Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O","InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)","PMP-HYDROXYISOXAZOLE; PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE","2004-10-27","2020-05-27","(5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["3J9","(4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine","C20 H20 F N3 O3","Fc1ncccc1c5cc4c(OC2(CCCOC2C43N=C(OC3)N)C)cc5;C[C]12CCCO[CH]1[C]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F;CC12CCCOC1C3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F","InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1","","2014-08-22","2014-11-28","(4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine","2014-12-03"],["3JA","5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine","C14 H16 N6 O","n1cnc4c(c1N2CCOCC2)c(c3cn(nc3)C)cn4;Cn1cc(cn1)c2c[nH]c3ncnc(N4CCOCC4)c23;Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4","InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)","","2014-08-25","2015-03-13","5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine","2015-03-18"],["PMI","(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID","C9 H12 N O3 P","O=P(O)(O)C2(N)Cc1ccccc1C2;NC1(Cc2ccccc2C1)[P](O)(O)=O;c1ccc2c(c1)CC(C2)(N)P(=O)(O)O","InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)","2-AMINOINDAN-2-PHOSPHONIC ACID","2006-12-14","2024-09-27","(2-amino-2,3-dihydro-1H-inden-2-yl)phosphonic acid",""],["PMJ","N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide","C23 H32 N8 O4 S","O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)CCCNC(=[N@H])N)Cc2ccccc2;NC(=N)NCCC[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N;c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N","InChI=1S/C23H32N8O4S/c24-21(25)18-10-8-16(9-11-18)13-29-20(32)14-30-22(33)19(7-4-12-28-23(26)27)31-36(34,35)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,31H,4,7,12-15H2,(H3,24,25)(H,29,32)(H,30,33)(H4,26,27,28)/t19-/m1/s1","","2010-11-22","2011-11-18","N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide",""],["3JB","3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile","C20 H17 N7 O2","N#Cc1cccc(c1)c5c2c(ncnc2N4CCOC(c3nc(on3)C)C4)nc5;Cc1onc(n1)[CH]2CN(CCO2)c3ncnc4[nH]cc(c5cccc(c5)C#N)c34;Cc1nc(no1)C2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N","InChI=1S/C20H17N7O2/c1-12-25-18(26-29-12)16-10-27(5-6-28-16)20-17-15(9-22-19(17)23-11-24-20)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)/t16-/m1/s1","","2014-08-25","2015-03-13","3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile","2015-03-18"],["PMK","(4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate","C32 H67 O4 P","O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O;CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O;CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O","InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29+,30+,31+,32-/m1/s1","","2014-02-25","2014-10-03","(4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate","2014-10-08"],["3JC","(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one","C15 H15 N3 O","O=C3c1c(nc(nc1CC(c2ccccc2)C3)N)C;Cc1nc(N)nc2C[CH](CC(=O)c12)c3ccccc3;Cc1c2c(nc(n1)N)CC(CC2=O)c3ccccc3","InChI=1S/C15H15N3O/c1-9-14-12(18-15(16)17-9)7-11(8-13(14)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,16,17,18)/t11-/m0/s1","","2014-08-26","2014-11-21","(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one","2014-11-26"],["3JD","2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide","C19 H20 N4 O","O=C(c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4)N;NC(=O)c1cccc2cn(nc12)c3ccc(cc3)[CH]4CCCNC4;c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4","InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1","Niraparib","2014-08-26","2020-06-17","2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide","2015-09-09"],["PML","PIMELIC ACID","C7 H12 O4","O=C(O)CCCCCC(=O)O;OC(=O)CCCCCC(O)=O;C(CCC(=O)O)CCC(=O)O","InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)","","2001-12-03","2011-06-04","heptanedioic acid",""],["3JE","triphenyl(phenylethynyl)phosphonium","C26 H20 P","C(#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4;c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4","InChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1","","2014-08-27","2014-09-05","triphenyl(phenylethynyl)phosphonium","2014-09-10"],["PMM","PTERIN-6-YL-METHYL-MONOPHOSPHATE","C7 H8 N5 O5 P","O=P(O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N;NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1;c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O","InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)","","2000-05-12","2011-06-04","(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl dihydrogen phosphate",""],["PMN","PLATENSIMYCIN","C24 H27 N O7","O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC53CC2(OC(CC2C3)C45)C)C;C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C](C)(CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C=C4;CC12CC34CC1CC(C3C(C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2","InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1","","2006-04-19","2011-06-04","3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid",""],["3JF","N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C24 H32 N4 O4 S","O=C(NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)C;CC(=O)N[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C)O","InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1","","2014-08-27","2014-09-05","N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PMO","N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE","C13 H17 N2 O8 P","O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O;COc1ccc2n(cnc2c1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;COc1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1","PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER","2001-07-09","2020-06-17","5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole",""],["3JG","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide","C21 H27 N3 O4","O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2)cc3)CC(C)(C)C;CC(C)(C)CC(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3ocnc3;CC(C)(C)CC(=O)N1CC(CC1C(=O)NCc2ccc(cc2)c3cnco3)O","InChI=1S/C21H27N3O4/c1-21(2,3)9-19(26)24-12-16(25)8-17(24)20(27)23-10-14-4-6-15(7-5-14)18-11-22-13-28-18/h4-7,11,13,16-17,25H,8-10,12H2,1-3H3,(H,23,27)/t16-,17+/m1/s1","","2014-08-27","2014-09-05","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PMP","4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE","C8 H13 N2 O5 P","O=P(O)(O)OCc1cnc(c(O)c1CN)C;Cc1ncc(CO[P](O)(O)=O)c(CN)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN)O","InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)","PYRIDOXAMINE-5'-PHOSPHATE","1999-07-08","2024-09-27","[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate",""],["3JH","N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C30 H43 N5 O5 S","O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)CC(C)C)C;CC(C)C[CH](NC(C)=O)C(=O)N[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(CC(C)C)NC(=O)C)O","InChI=1S/C30H43N5O5S/c1-17(2)12-23(33-19(4)36)27(38)34-26(30(5,6)7)29(40)35-15-22(37)13-24(35)28(39)31-14-20-8-10-21(11-9-20)25-18(3)32-16-41-25/h8-11,16-17,22-24,26,37H,12-15H2,1-7H3,(H,31,39)(H,33,36)(H,34,38)/t22-,23+,24+,26-/m1/s1","","2014-08-27","2014-09-05","N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PMQ","benzylcarbamic acid","C8 H9 N O2","O=C(O)NCc1ccccc1;OC(=O)NCc1ccccc1;c1ccc(cc1)CNC(=O)O","InChI=1S/C8H9NO2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)","","2012-03-15","2024-09-27","benzylcarbamic acid",""],["3JI","3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID","C16 H17 N2 O4","OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2;c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O","InChI=1S/C16H17N2O4/c19-15(8-4-7-12-5-2-1-3-6-12)17-14-11-18(22)10-9-13(14)16(20)21/h1-3,5-6,9-11,22H,4,7-8H2,(H,17,19)(H,20,21)","","2015-11-27","2019-10-21","1-oxidanyl-3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid","2016-01-27"],["PMR","Protochlorophyllide","C35 H32 Mg N4 O5","CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C(C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C;CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C","InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+4/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1","","2008-04-24","2023-09-23","",""],["3JJ","N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C30 H43 N5 O5 S","O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)C(C)(C)C)C;CC(=O)N[CH](C(=O)N[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C)NC(=O)C)O","InChI=1S/C30H43N5O5S/c1-17-23(41-16-32-17)20-11-9-19(10-12-20)14-31-26(38)22-13-21(37)15-35(22)28(40)25(30(6,7)8)34-27(39)24(29(3,4)5)33-18(2)36/h9-12,16,21-22,24-25,37H,13-15H2,1-8H3,(H,31,38)(H,33,36)(H,34,39)/t21-,22+,24-,25-/m1/s1","","2014-08-27","2014-09-05","N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PMS","phenylmethanesulfonic acid","C7 H8 O3 S","O=S(=O)(O)Cc1ccccc1;O[S](=O)(=O)Cc1ccccc1;c1ccc(cc1)CS(=O)(=O)O","InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)","","2009-08-24","2024-09-27","phenylmethanesulfonic acid",""],["3JK","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide","C22 H29 N3 O4","O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2C)cc3)CC(C)(C)C;Cc1ncoc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)CC(C)(C)C)cc2;Cc1c(ocn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)CC(C)(C)C)O","InChI=1S/C22H29N3O4/c1-14-20(29-13-24-14)16-7-5-15(6-8-16)11-23-21(28)18-9-17(26)12-25(18)19(27)10-22(2,3)4/h5-8,13,17-18,26H,9-12H2,1-4H3,(H,23,28)/t17-,18+/m1/s1","","2014-08-27","2014-09-05","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PMT","PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER","C18 H30 N4 O15 P2","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O","InChI=1S/C18H30N4O15P2/c1-18(2,8-35-38(29,30)31)14(26)15(27)20-5-3-11(23)37-39(32,33)34-7-9-12(24)13(25)16(36-9)22-6-4-10(19)21-17(22)28/h4,6,9,12-14,16,24-26H,3,5,7-8H2,1-2H3,(H,20,27)(H,32,33)(H2,19,21,28)(H2,29,30,31)/t9-,12-,13-,14+,16-/m1/s1","4'-PHOSPHOPANTOTHENOYL- CYTIDINE-5'-MONOPHOSPHATE","2004-08-06","2021-03-01","5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine",""],["3JL","3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid","C12 H12 O6","O=C(O)c1cccc(c1C(=O)O)CCCC(=O)O;OC(=O)CCCc1cccc(C(O)=O)c1C(O)=O;c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O","InChI=1S/C12H12O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)(H,17,18)","3-carboxypropyl-phthalic acid","2014-08-27","2020-06-17","3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid","2014-12-10"],["3JM","3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid","C11 H10 O6","O=C(O)c1cccc(c1C(=O)O)CCC(=O)O;OC(=O)CCc1cccc(C(O)=O)c1C(O)=O;c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O","InChI=1S/C11H10O6/c12-8(13)5-4-6-2-1-3-7(10(14)15)9(6)11(16)17/h1-3H,4-5H2,(H,12,13)(H,14,15)(H,16,17)","3-carboxy-ethyl-phthalic acid","2014-08-27","2020-06-17","3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid","2014-12-10"],["PMU","(3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol","C17 H22 N4 O3","n1c(cc(nc1N)c2c(O)ccc(c2)N3CC(O)C(O)C3)C(C)C;CC(C)c1cc(nc(N)n1)c2cc(ccc2O)N3C[CH](O)[CH](O)C3;CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3CC(C(C3)O)O","InChI=1S/C17H22N4O3/c1-9(2)12-6-13(20-17(18)19-12)11-5-10(3-4-14(11)22)21-7-15(23)16(24)8-21/h3-6,9,15-16,22-24H,7-8H2,1-2H3,(H2,18,19,20)/t15-,16-/m0/s1","","2011-05-23","2011-07-15","(3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol",""],["PMV","(3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID","C6 H13 O7 P","O=P(O)(O)OCCC(O)(C)CC(=O)O;C[C](O)(CCO[P](O)(O)=O)CC(O)=O;CC(CCOP(=O)(O)O)(CC(=O)O)O","InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1","PHOSPHOMEVALONATE","2007-04-30","2021-03-01","(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid",""],["3JN","3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid","C12 H10 O6","O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O;OC(=O)CC=Cc1cccc(C(O)=O)c1C(O)=O;c1cc(c(c(c1)C(=O)O)C(=O)O)C=CCC(=O)O","InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+","3-carboxy-propenyl-phthalic acid","2014-08-27","2021-03-01","3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid","2014-12-10"],["PMW","methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate","C22 H23 Cl N4 O2 S","CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC;CCC(C1c2nnc(n2-c3c(c(c(s3)C)C)C(=N1)c4ccc(cc4)Cl)C)C(=O)OC","InChI=1S/C22H23ClN4O2S/c1-6-16(22(28)29-5)19-20-26-25-13(4)27(20)21-17(11(2)12(3)30-21)18(24-19)14-7-9-15(23)10-8-14/h7-10,16,19H,6H2,1-5H3/t16-,19+/m1/s1","","2020-04-26","2023-09-18","methyl (2~{R})-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate","2020-05-27"],["3JO","N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C33 H41 N5 O5 S","O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)Cc4ccccc4)C;CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(Cc4ccccc4)NC(=O)C)O","InChI=1S/C33H41N5O5S/c1-20-28(44-19-35-20)24-13-11-23(12-14-24)17-34-31(42)27-16-25(40)18-38(27)32(43)29(33(3,4)5)37-30(41)26(36-21(2)39)15-22-9-7-6-8-10-22/h6-14,19,25-27,29,40H,15-18H2,1-5H3,(H,34,42)(H,36,39)(H,37,41)/t25-,26+,27+,29-/m1/s1","","2014-08-28","2014-09-05","N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PMX","3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine","C14 H14 Cl N O6","Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC;COC(=O)C=CC(=O)N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O;COC(=O)C=CC(=O)NC(Cc1ccc(c(c1)Cl)O)C(=O)O","InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1","(+)-Xylariamide A","2010-11-02","2020-06-17","3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine",""],["3JP","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one","C26 H32 Cl2 N2 O6 S","Clc1cc(cc(Cl)c1)S(=O)(=O)N2C3C(=O)N(CC(C2CCC3)CC)CCOc4ccc(OC)c(OC)c4;CC[CH]1CN(CCOc2ccc(OC)c(OC)c2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4cc(Cl)cc(Cl)c4;CCC1CN(C(=O)C2CCCC1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC","InChI=1S/C26H32Cl2N2O6S/c1-4-17-16-29(10-11-36-20-8-9-24(34-2)25(15-20)35-3)26(31)23-7-5-6-22(17)30(23)37(32,33)21-13-18(27)12-19(28)14-21/h8-9,12-15,17,22-23H,4-7,10-11,16H2,1-3H3/t17-,22+,23-/m0/s1","","2014-08-28","2014-11-28","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one","2014-12-03"],["3JQ","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","C26 H32 Cl2 N2 O8 S","Clc1cc(cc(Cl)c1)S(=O)(=O)N2C3C(=O)N(CC(C2CCC3)C(O)CO)CCOc4ccc(OC)c(OC)c4;COc1ccc(OCCN2C[CH]([CH](O)CO)[CH]3CCC[CH](N3[S](=O)(=O)c4cc(Cl)cc(Cl)c4)C2=O)cc1OC;COc1ccc(cc1OC)OCCN2CC(C3CCCC(C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)C(CO)O","InChI=1S/C26H32Cl2N2O8S/c1-36-24-7-6-18(13-25(24)37-2)38-9-8-29-14-20(23(32)15-31)21-4-3-5-22(26(29)33)30(21)39(34,35)19-11-16(27)10-17(28)12-19/h6-7,10-13,20-23,31-32H,3-5,8-9,14-15H2,1-2H3/t20-,21+,22-,23-/m0/s1","","2014-08-28","2014-11-28","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2014-12-03"],["PMY","AGLYCON OF PEPLOMYCIN","C48 H67 N17 O10 S2","O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N;C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N)C(N)=O)[CH](O)c2c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C(=O)NCCCN[CH](C)c5ccccc5;Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O","InChI=1S/C48H67N17O10S2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1","AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE","1999-07-16","2020-06-17","2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name)",""],["PMZ","1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE","C19 H22 N2 O S","O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C;CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O;CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C","InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3","ACETYLPROMAZINE","2002-06-20","2020-06-17","1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone",""],["3JR","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","C26 H32 Cl2 N2 O8 S","Clc1cc(cc(Cl)c1)S(=O)(=O)N2C3C(=O)N(CC(C2CCC3)C(O)CO)CCOc4ccc(OC)c(OC)c4;COc1ccc(OCCN2C[CH]([CH](O)CO)[CH]3CCC[CH](N3[S](=O)(=O)c4cc(Cl)cc(Cl)c4)C2=O)cc1OC;COc1ccc(cc1OC)OCCN2CC(C3CCCC(C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)C(CO)O","InChI=1S/C26H32Cl2N2O8S/c1-36-24-7-6-18(13-25(24)37-2)38-9-8-29-14-20(23(32)15-31)21-4-3-5-22(26(29)33)30(21)39(34,35)19-11-16(27)10-17(28)12-19/h6-7,10-13,20-23,31-32H,3-5,8-9,14-15H2,1-2H3/t20-,21+,22-,23+/m0/s1","","2014-08-28","2014-11-28","(1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2014-12-03"],["PN0","Prinomastat","C18 H21 N3 O5 S2","O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3;CC1(C)SCCN([CH]1C(=O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc2;CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C","InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1","(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide","2011-02-10","2021-03-13","(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide",""],["3JS","(4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C23 H28 N4 O5 S","O=C(N1CC(O)CC1C(=O)N2CC(O)CC2C(=O)NCc4ccc(c3scnc3C)cc4)C;CC(=O)N1C[CH](O)C[CH]1C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C4CC(CN4C(=O)C)O)O","InChI=1S/C23H28N4O5S/c1-13-21(33-12-25-13)16-5-3-15(4-6-16)9-24-22(31)19-7-17(29)11-27(19)23(32)20-8-18(30)10-26(20)14(2)28/h3-6,12,17-20,29-30H,7-11H2,1-2H3,(H,24,31)/t17-,18-,19+,20+/m1/s1","","2014-08-28","2014-09-05","(4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PN1","(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID","C16 H19 N3 O4 S","O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC2(C)C;CC1(C)S[CH]2[CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C(O)=O;CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccccc3)N)C(=O)O)C","InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10+,11-,14+/m0/s1","","2003-09-09","2011-06-04","(2S,5R,6R)-6-{[(2S)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["3JT","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide","C21 H27 N3 O3 S","O=C(N1CC(O)CC1C(=O)NCc3ccc(c2scnc2)cc3)CC(C)(C)C;CC(C)(C)CC(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3;CC(C)(C)CC(=O)N1CC(CC1C(=O)NCc2ccc(cc2)c3cncs3)O","InChI=1S/C21H27N3O3S/c1-21(2,3)9-19(26)24-12-16(25)8-17(24)20(27)23-10-14-4-6-15(7-5-14)18-11-22-13-28-18/h4-7,11,13,16-17,25H,8-10,12H2,1-3H3,(H,23,27)/t16-,17+/m1/s1","","2014-08-28","2014-09-05","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PN2","4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE","C14 H26 N3 O8 P S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OCC(=C=O)/N;CC(C)(CO[P](O)(=O)OCC(N)=C=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OCC(=C=O)N)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C14H26N3O8PS/c1-14(2,9-25-26(22,23)24-8-10(15)7-18)12(20)13(21)17-4-3-11(19)16-5-6-27/h12,20,27H,3-6,8-9,15H2,1-2H3,(H,16,19)(H,17,21)(H,22,23)/t12-/m0/s1","2-AMINO-3-(HYDROXY-(3-HYDROXY-3-[2-(MERCAPTO-ETHYLCARBAMOYL]-2,2-DIMETHYL-PROPOXY-PHOSPHORYLOXY)-PROPIONIC ACID","2000-07-13","2024-09-27","N~3~-[(2R)-4-{[(S)-[(2-amino-3-oxoprop-2-en-1-yl)oxy](hydroxy)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",""],["3JU","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","C22 H29 N3 O3 S","O=C(N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)CC(C)(C)C;Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)CC(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)CC(C)(C)C)O","InChI=1S/C22H29N3O3S/c1-14-20(29-13-24-14)16-7-5-15(6-8-16)11-23-21(28)18-9-17(26)12-25(18)19(27)10-22(2,3)4/h5-8,13,17-18,26H,9-12H2,1-4H3,(H,23,28)/t17-,18+/m1/s1","","2014-08-28","2014-09-05","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["3JV","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide","C22 H29 N3 O3 S","O=C(N1CC(O)CC1C(=O)NCc3cc(c(c2scnc2)cc3)C)CC(C)(C)C;Cc1cc(CNC(=O)[CH]2C[CH](O)CN2C(=O)CC(C)(C)C)ccc1c3scnc3;Cc1cc(ccc1c2cncs2)CNC(=O)C3CC(CN3C(=O)CC(C)(C)C)O","InChI=1S/C22H29N3O3S/c1-14-7-15(5-6-17(14)19-11-23-13-29-19)10-24-21(28)18-8-16(26)12-25(18)20(27)9-22(2,3)4/h5-7,11,13,16,18,26H,8-10,12H2,1-4H3,(H,24,28)/t16-,18+/m1/s1","","2014-08-28","2014-09-05","(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide","2014-09-10"],["PN3","tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate","C15 H22 N2 O4","O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1;CC(C)(C)OC(=O)N[CH](CN(O)C=O)Cc1ccccc1;CC(C)(C)OC(=O)NC(Cc1ccccc1)CN(C=O)O","InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)/t13-/m0/s1","","2010-11-23","2011-06-04","tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate",""],["PN4","(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide","C14 H28 N2 O4","O=C(NCCC(=O)NCCCCC)C(O)C(C)(C)CO;CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO;CCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O","InChI=1S/C14H28N2O4/c1-4-5-6-8-15-11(18)7-9-16-13(20)12(19)14(2,3)10-17/h12,17,19H,4-10H2,1-3H3,(H,15,18)(H,16,20)/t12-/m0/s1","N-Pentylpantothenamide","2012-05-24","2021-03-01","(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide","2013-04-10"],["3JW","Baricitinib","C16 H17 N7 O2 S","O=S(=O)(N4CC(n3ncc(c2ncnc1c2ccn1)c3)(C4)CC#N)CC;CC[S](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34;CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3","InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)","","2014-08-28","2014-09-05","{1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile","2014-09-10"],["PN5","(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate","C16 H30 N2 O5 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COC(=O)C(C)(C)C;CC(C)(C)C(=O)OCC(C)(C)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(C)C(=O)OCC(C)(C)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C16H30N2O5S/c1-15(2,3)14(22)23-10-16(4,5)12(20)13(21)18-7-6-11(19)17-8-9-24/h12,20,24H,6-10H2,1-5H3,(H,17,19)(H,18,21)/t12-/m0/s1","","2008-05-19","2011-06-04","(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate",""],["3JX","4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid","C33 H29 N3 O5","[O-][N+](=O)c1ccc(cc1)C(NC(=O)c2cc3c(cc2)n(c(c3C)C)Cc5ccc(c4ccccc4C(=O)O)cc5)C;C[CH](NC(=O)c1ccc2n(Cc3ccc(cc3)c4ccccc4C(O)=O)c(C)c(C)c2c1)c5ccc(cc5)[N+]([O-])=O;Cc1c(n(c2c1cc(cc2)C(=O)NC(C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C","InChI=1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m0/s1","","2014-08-28","2015-06-26","4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid","2015-07-01"],["PN6","(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione","C19 H20 N4 O2","[C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3;CC(C)(C)c1[nH]cnc1C=C2NC(=O)C(NC2=O)=Cc3ccccc3;CC(C)(C)c1c(nc[nH]1)C=C2C(=O)NC(=Cc3ccccc3)C(=O)N2","InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-","Plinabulin","2015-08-28","2020-06-17","(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione","2015-11-04"],["3JY","[(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid","C13 H19 N2 O8 P","O=C(OC)C(OC2CC(N1C=C(C(=O)NC1=O)C)CC2)P(=O)(O)O;COC(=O)[CH](O[CH]1CC[CH](C1)N2C=C(C)C(=O)NC2=O)[P](O)(O)=O;CC1=CN(C(=O)NC1=O)C2CCC(C2)OC(C(=O)OC)P(=O)(O)O","InChI=1S/C13H19N2O8P/c1-7-6-15(13(18)14-10(7)16)8-3-4-9(5-8)23-12(11(17)22-2)24(19,20)21/h6,8-9,12H,3-5H2,1-2H3,(H,14,16,18)(H2,19,20,21)/t8-,9+,12-/m1/s1","","2014-08-28","2015-03-06","[(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid","2015-03-11"],["PN7","N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide","C11 H23 N2 O7 P S","OC(C(C)(COP(O)(O)=O)C)C(=O)NCCC(NCCS)=O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m1/s1","","2015-07-16","2024-09-27","N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide","2016-01-20"],["3JZ","N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide","C22 H21 F3 N6 O3 S","O=S(=O)(N(c1ccccc1CNc2nc(ncc2C(F)(F)F)Nc3cc4c(cc3)NC(=O)C4)C)C;CN(c1ccccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O;CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C","InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)","","2009-02-04","2011-06-04","N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide",""],["3K0","N-sulfamoyl-L-glutamic acid","C5 H10 N2 O6 S","O=S(=O)(NC(C(=O)O)CCC(=O)O)N;N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NS(=O)(=O)N","InChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1","","2014-08-28","2015-09-18","N-sulfamoyl-L-glutamic acid","2015-09-23"],["PN8","(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol","C7 H14 N3 O4","O[CH]1C[CH](O)[CH](CN[N]#N)[CH](O)[CH]1O;C1C(C(C(C(C1O)O)O)CN[N]#N)O","InChI=1S/C7H14N3O4/c8-10-9-2-3-4(11)1-5(12)7(14)6(3)13/h3-7,9,11-14H,1-2H2/t3-,4-,5-,6+,7+/m0/s1","","2020-04-26","2024-09-27","(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[(azanylidyne-$l^{4}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol","2021-05-12"],["3K1","5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one","C11 H8 N6 O2","O=C3C(O)=CN=C(c2ccc(c1nnnn1)cc2)N3;OC1=CN=C(NC1=O)c2ccc(cc2)c3[nH]nnn3;c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O","InChI=1S/C11H8N6O2/c18-8-5-12-9(13-11(8)19)6-1-3-7(4-2-6)10-14-16-17-15-10/h1-5,18H,(H,12,13,19)(H,14,15,16,17)","","2014-08-28","2014-09-26","5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one","2014-10-01"],["PN9","(4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate","C13 H19 N2 O7 P S","O=C(O)C(CCSC)=[NH+]C=C1/C([O-])=C(C)NC=C1COP(=O)(O)O;CSCCC(=[NH+]C=C1C(=C(C)NC=C1CO[P](O)(O)=O)[O-])C(O)=O;CC1=C(C(=C[NH+]=C(CCSC)C(=O)O)C(=CN1)COP(=O)(O)O)[O-]","InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,14,16H,3-4,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b10-6-,15-11+","PLP-Met adduct intermediate in zwitterionic form","2022-01-14","2022-05-27","(4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate","2022-06-01"],["3K2","4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid","C33 H29 N3 O5","[O-][N+](=O)c1ccc(cc1)C(NC(=O)c2cc3c(cc2)n(c(c3C)C)Cc5ccc(c4ccccc4C(=O)O)cc5)C;C[CH](NC(=O)c1ccc2n(Cc3ccc(cc3)c4ccccc4C(O)=O)c(C)c(C)c2c1)c5ccc(cc5)[N+]([O-])=O;Cc1c(n(c2c1cc(cc2)C(=O)NC(C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C","InChI=1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m1/s1","","2014-08-28","2015-06-26","4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid","2015-07-01"],["PNA","4-nitrophenyl alpha-D-mannopyranoside","C12 H15 N O8","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2;OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12+/m1/s1","4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE; 4-nitrophenyl alpha-D-mannoside; 4-nitrophenyl D-mannoside; 4-nitrophenyl\nmannoside","1999-07-08","2020-07-17","4-nitrophenyl alpha-D-mannopyranoside",""],["3K3","5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one","C25 H17 F3 N4 O3","FC(F)(F)c1cc2nc(nc2cc1)C4C3c7c(OC34)ccc(Oc6ccnc5NC(=O)CCc56)c7;FC(F)(F)c1ccc2[nH]c(nc2c1)[CH]3[CH]4Oc5ccc(Oc6ccnc7NC(=O)CCc67)cc5[CH]34;c1cc2c(cc1C(F)(F)F)nc([nH]2)C3C4C3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7","InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1","","2014-08-28","2016-02-19","5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one","2016-02-24"],["PNB","4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE","C13 H17 N2 O8 P","O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(cc1)[N+]([O-])=O)O;OC(=O)CNC(=O)CCC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]","InChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)","","1999-07-08","2011-06-04","N-(4-{(S)-hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine",""],["PNC","PARA-NITROBENZYL GLUTARYL GLYCINIC ACID","C14 H17 N3 O6","O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O;OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]","InChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)","","1999-07-08","2011-06-04","N-{5-[(4-nitrobenzyl)amino]-5-oxopentanoyl}glycine",""],["3K4","(2S,3S)-3-methylaziridine-2-carboxylic acid","C4 H7 N O2","O=C(O)C1NC1C;C[CH]1N[CH]1C(O)=O;CC1C(N1)C(=O)O","InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1","","2014-08-29","2014-10-10","(2S,3S)-3-methylaziridine-2-carboxylic acid","2014-10-15"],["PND","P-NITROPHENYLHYDRAZINE","C6 H7 N3 O2","[O-][N+](=O)c1ccc(NN)cc1;NNc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1NN)[N+](=O)[O-]","InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2","","2001-07-27","2024-09-27","(4-nitrophenyl)hydrazine",""],["3K5","3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose","C40 H52 O17","O=C(OC1C(O)C(OC(C)C1O)OC7C(OC(=O)C)C(O)C(OC7OC(=O)C6CCC5C(OC3(OCC(C(OC(=O)C=Cc2ccccc2)C3)C)C54OC4)C6)C)C;C[CH]1CO[C]2(C[CH]1OC(=O)C=Cc3ccccc3)O[CH]4C[CH](CC[CH]4[C]25CO5)C(=O)O[CH]6O[CH](C)[CH](O)[CH](OC(C)=O)[CH]6O[CH]7O[CH](C)[CH](O)[CH](OC(C)=O)[CH]7O;CC1COC2(CC1OC(=O)C=Cc3ccccc3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)OC(=O)C)O","InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1","Phyllanthoside","2014-08-29","2021-03-01","3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose","2014-10-22"],["3K6","N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide","C22 H24 N6 O2 S","O=S(=O)(N(C)C)c5ccc(c1c4n(nc1)CC(N(c3ccnc2nccc23)C4)C)cc5;C[CH]1Cn2ncc(c2CN1c3ccnc4[nH]ccc34)c5ccc(cc5)[S](=O)(=O)N(C)C;CC1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5","InChI=1S/C22H24N6O2S/c1-15-13-28-21(14-27(15)20-9-11-24-22-18(20)8-10-23-22)19(12-25-28)16-4-6-17(7-5-16)31(29,30)26(2)3/h4-12,15H,13-14H2,1-3H3,(H,23,24)/t15-/m1/s1","","2014-08-29","2014-12-26","N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide","2014-12-31"],["PNE","PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE","C13 H17 N2 O8 P","O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NC(C(=O)O)C;C[CH](NC(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O)C(O)=O;CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m1/s1","","2002-01-03","2011-06-04","N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-D-alanine",""],["PNF","6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID","C16 H23 N2 O8 P","O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCCCCCC(=O)O;OC(=O)CCCCCNC(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OP(=O)(CCCC(=O)NCCCCCC(=O)O)O","InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25)","","1999-09-14","2011-06-04","6-({4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}amino)hexanoic acid",""],["3K7","6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine","C15 H15 Cl N4 O2","Clc1nn2c(c(nc2c(c1)N)C)c3ccc(OC)c(OC)c3;COc1ccc(cc1OC)c2n3nc(Cl)cc(N)c3nc2C;Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC","InChI=1S/C15H15ClN4O2/c1-8-14(9-4-5-11(21-2)12(6-9)22-3)20-15(18-8)10(17)7-13(16)19-20/h4-7H,17H2,1-3H3","","2014-09-01","2015-05-15","6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine","2015-05-20"],["3K8","(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline","C24 H27 N O3","O(c2ccc1c5c(c3c(c1c2)cc(OC)c(OC)c3)CC4N(CCCC4)C5)C;COc1ccc2c3CN4CCCC[CH]4Cc3c5cc(OC)c(OC)cc5c2c1;COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCCC5C4)OC)OC","InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1","Cryptopleurine","2014-09-01","2020-06-17","(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline","2014-10-22"],["PNG","4-nitrophenyl alpha-D-glucopyranoside","C12 H15 N O8","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2;OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1","4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE; 4-nitrophenyl alpha-D-glucoside; 4-nitrophenyl D-glucoside; 4-nitrophenyl\nglucoside","1999-07-08","2020-07-17","4-nitrophenyl alpha-D-glucopyranoside",""],["PNH","pentan-2-one","C5 H10 O","O=C(C)CCC;CCCC(C)=O;CCCC(=O)C","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3","","2007-11-30","2024-09-27","pentan-2-one",""],["3K9","1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one","C23 H17 F N6 O2","Fc2cc(n1nccc1)ccc2N5N=C(c4ccnn4c3ccccc3)C(=O)C(OC)=C5;COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5;COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5","InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3","","2014-09-03","2014-11-14","1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one","2014-11-19"],["3KA","1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione","C9 H13 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1","L-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","2014-09-03","2020-06-17","1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione","2015-05-06"],["PNI","TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL","C44 H36 N8 Ni","c76/C(c%11n4c(/C(c1n5c(cc1)/C(=C2/C=CN(C=C2)C)c3ccc/9n3[Ni]45n6c(cc7)C9=C8/C=CN(C=C8)C)=C%10/C=CN(C=C%10)C)cc%11)=C%12C=CN(C=C%12)C;CN1C=CC(C=C1)=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C=C%12;CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1","InChI=1S/C44H36N8.Ni/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;/q-4;+4","","2000-03-17","2011-06-04","[5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]nickel",""],["PNJ","4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside","C12 H16 N2 O7","N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N","InChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10-,11-,12-/m1/s1","PNP-BETA-D-GLUCOSAMINE; 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucoside; 4-nitrophenyl 2-amino-2-deoxy-D-glucoside;\n4-nitrophenyl 2-amino-2-deoxy-glucoside","2008-08-05","2020-07-17","(2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4-diol",""],["3KB","5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one","C21 H15 F3 N4 O2","FC(F)(F)c1cc(ccc1)N4N=C(c3ccnn3c2ccccc2)C(=O)C(OC)=C4;COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F;COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F","InChI=1S/C21H15F3N4O2/c1-30-18-13-27(16-9-5-6-14(12-16)21(22,23)24)26-19(20(18)29)17-10-11-25-28(17)15-7-3-2-4-8-15/h2-13H,1H3","","2014-09-03","2014-11-14","5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one","2014-11-19"],["PNK","(2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H20 N2 O5 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2ccccc2)C(O)=O;CC1(C(NC(S1)C(C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C","InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1","Penicillin, hydroxylated form","2009-06-22","2021-03-13","(2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["3KC","3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol","C20 H12 Cl N3 O","Clc5cc(O)ccc5C1=Nc4c(c2c3c1cnc3ncc2)cccc4;Oc1ccc(c(Cl)c1)C2=Nc3ccccc3c4ccnc5[nH]cc2c45;c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O","InChI=1S/C20H12ClN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,25H,(H,22,23)","","2009-10-22","2011-06-04","3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol",""],["PNL","PROPANAL","C3 H6 O","O=CCC;CCC=O;CCC=O","InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3","","1999-07-08","2008-10-14","propanal",""],["3KD","(1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol","C16 H17 N O4","O1c2c(OC1)cc3c(c2)C5C(O)C(O)C=C4C5N(C3)CC4;O[CH]1C=C2CCN3Cc4cc5OCOc5cc4[CH]([CH]1O)[CH]23;c1c2c(cc3c1OCO3)C4C(C(C=C5C4N(C2)CC5)O)O","InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1","","2014-09-03","2014-10-17","(1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol","2014-10-22"],["PNM","OPEN FORM - PENICILLIN G","C16 H20 N2 O4 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2ccccc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)Cc2ccccc2)C(=O)O)C","InChI=1S/C16H20N2O4S/c1-16(2)13(15(21)22)18-14(23-16)11(9-19)17-12(20)8-10-6-4-3-5-7-10/h3-7,9,11,13-14,18H,8H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1","","2000-10-23","2024-09-27","(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid",""],["3KE","4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid","C24 H21 N5 O4","O=C(O)c1ccc(cc1)CNC(=O)c4cccc(c2nn(nn2)Cc3ccc(OC)cc3)c4;COc1ccc(Cn2nnc(n2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(O)=O)cc1;COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O","InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32)","4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzamido)methyl)benzoic acid","2009-10-29","2020-06-17","4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid",""],["3KF","(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one","C14 H13 N O7","O=C1NC4C(c3c1c(O)c2OCOc2c3)=CC(O)C(O)C4O;O[CH]1C=C2[CH](NC(=O)c3c(O)c4OCOc4cc23)[CH](O)[CH]1O;c1c2c(c(c3c1OCO3)O)C(=O)NC4C2=CC(C(C4O)O)O","InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1","","2014-09-03","2014-10-17","(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one","2014-10-22"],["PNN","PENICILLIN G","C16 H18 N2 O4 S","O=C(O)C2N3C(=O)C(NC(=O)Cc1ccccc1)C3SC2(C)C;CC1(C)S[CH]2[CH](NC(=O)Cc3ccccc3)C(=O)N2[CH]1C(O)=O;CC1(C(N2C(S1)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O)C","InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1","","2000-09-13","2011-06-04","(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["PNO","P-METHYL AMINOPHOSPHINIC ACID","C H6 N O2 P","O=P(O)(N)C;C[P](N)(O)=O;CP(=O)(N)O","InChI=1S/CH6NO2P/c1-5(2,3)4/h1H3,(H3,2,3,4)","","1999-07-08","2011-06-04","(R)-P-methylphosphonamidic acid",""],["3KG","3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one","C20 H13 F3 N4 O","FC(F)(F)c1cc(ccc1)N4N=C(c3ccnn3c2ccccc2)C(=O)C=C4;FC(F)(F)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4;c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F","InChI=1S/C20H13F3N4O/c21-20(22,23)14-5-4-8-16(13-14)26-12-10-18(28)19(25-26)17-9-11-24-27(17)15-6-2-1-3-7-15/h1-13H","","2014-09-03","2014-11-14","3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one","2014-11-19"],["3KH","5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine","C8 H6 N6 S","n1nc(sc1c3cc2c(nnn2)cc3)N;Nc1sc(nn1)c2ccc3nn[nH]c3c2;c1cc2c(cc1c3nnc(s3)N)[nH]nn2","InChI=1S/C8H6N6S/c9-8-13-12-7(15-8)4-1-2-5-6(3-4)11-14-10-5/h1-3H,(H2,9,13)(H,10,11,14)","","2014-09-05","2015-09-25","5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine","2015-09-30"],["PNP","METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER","C7 H8 N O5 P","O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)C;C[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O;CP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)","4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE","1999-07-08","2020-06-17","4-nitrophenyl hydrogen (R)-methylphosphonate",""],["PNQ","P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE","C8 H11 Be F3 N2 O9 P2","O[P](=O)(OCCNc1ccc(cc1)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F;[Be](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F","InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-3-1-7(2-4-8)9-5-6-18-21(16,17)19-20(13,14)15;;;;/h1-4,9H,5-6H2,(H,16,17)(H2,13,14,15);;3*1H/q;+4;;;/p-4","","1999-09-22","2011-06-04","trifluoro-[hydroxy-[hydroxy-[2-[(4-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium",""],["3KI","(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid","C16 H20 O4","O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C;C=CC#CC#CC=CCC(C(CCCCC(=O)O)O)O","InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1","","2021-07-20","2024-09-27","(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid","2022-07-27"],["3KJ","N~5~-(N-hydroxy-N-methylcarbamimidoyl)-L-ornithine","C7 H16 N4 O3","O=C(O)C(N)CCCNC(=[N@H])N(O)C;CN(O)C(=N)NCCC[CH](N)C(O)=O;CN(C(=N)NCCCC(C(=O)O)N)O","InChI=1S/C7H16N4O3/c1-11(14)7(9)10-4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H2,9,10)(H,12,13)/t5-/m0/s1","","2012-07-13","2013-05-10","N~5~-(N-hydroxy-N-methylcarbamimidoyl)-L-ornithine","2013-05-15"],["PNR","4-nitrophenyl hexadecanoate","C22 H35 N O4","O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O;CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3","paranitrophenyl palmitate","2014-05-08","2021-03-01","4-nitrophenyl hexadecanoate","2014-05-21"],["PNS","4'-PHOSPHOPANTETHEINE","C11 H23 N2 O7 P S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1","","1999-07-08","2024-09-27","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",""],["3KK","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate","C25 H42 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)(C)C;CC(C)(O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O","InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,16-,17-,18+,22-/m1/s1","2-Hydroxyisobutyryl-Coenzyme A","2014-09-04","2021-03-01","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate (non-preferred name)","2015-03-11"],["PNT","1,5-BIS(4-AMIDINOPHENOXY)PENTANE","C19 H24 N4 O2","O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1;c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N","InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)","","1999-07-08","2011-06-04","4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide",""],["3KL","(5beta,9beta)-3-oxocholan-24-oic acid","C24 H38 O3","O=C(O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C","InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1","3-keto-lithocholic acid","2013-02-08","2021-03-01","(5beta,9beta)-3-oxocholan-24-oic acid","2013-06-26"],["3KM","3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide","C27 H33 N5 O4 S","O=C(N1CCC(CCN)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)COc4cc(C(=[N@H])N)ccc4;NCC[CH]1CCN(CC1)C(=O)[CH](COc2cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)S(=O)(=O)NC(COc3cccc(c3)C(=N)N)C(=O)N4CCC(CC4)CCN","InChI=1S/C27H33N5O4S/c28-13-10-19-11-14-32(15-12-19)27(33)25(18-36-23-7-3-6-22(16-23)26(29)30)31-37(34,35)24-9-8-20-4-1-2-5-21(20)17-24/h1-9,16-17,19,25,31H,10-15,18,28H2,(H3,29,30)/t25-/m0/s1","","2014-09-04","2015-02-06","3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide","2015-02-11"],["PNU","6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE","C13 H11 Cl N4 O S","Clc1nc(nc(N)c1)SC(c2ncc3occc3c2)C;C[CH](Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2;CC(c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N","InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1","","2001-05-22","2011-06-04","6-chloro-2-{[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl}pyrimidin-4-amine",""],["PNV","(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID","C16 H18 N2 O5 S","c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)O)=O)=O;CC1(C)S[CH]2[CH](NC(=O)COc3ccccc3)C(=O)N2[CH]1C(O)=O;CC1(C(N2C(S1)C(C2=O)NC(=O)COc3ccccc3)C(=O)O)C","InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1","PENICILLIN V","2005-11-14","2020-06-17","(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["3KN","3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine","C7 H7 N5 S","n2cc(c1nnc(s1)N)c(N)cc2;Nc1sc(nn1)c2cnccc2N;c1cncc(c1N)c2nnc(s2)N","InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)","","2014-09-05","2015-09-18","3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine","2015-09-23"],["PNW","4-nitrophenyl beta-D-glucopyranoside","C12 H15 N O8","[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2;OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1","4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE; 4-nitrophenyl beta-D-glucoside; 4-nitrophenyl D-glucoside; 4-nitrophenyl\nglucoside","2010-05-25","2020-07-17","4-nitrophenyl beta-D-glucopyranoside",""],["3KO","(2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one","C24 H40 N4 O2","O=C(N3CCC(CC1(C(=O)N(C(=[N@H])N1)C)CCC2CCCCC2)C3)CC4CCCC4;CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCN(C3)C(=O)CC4CCCC4)C1=O;CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCN(C3)C(=O)CC4CCCC4","InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1","","2014-09-05","2020-06-27","(2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one","2014-11-05"],["PNX","3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE","C13 H18 N4 O3","O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C;Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12;CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","PENTOXIFYLLINE","2005-06-28","2020-06-17","3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione",""],["3KP","1,2,3-trichloropropane","C3 H5 Cl3","ClCC(Cl)CCl;ClCC(Cl)CCl;C(C(CCl)Cl)Cl","InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2","","2011-04-25","2012-04-20","1,2,3-trichloropropane",""],["PNY","(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide","C11 H22 N2 O4 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(CO)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1","pantetheine; (R)-2,4-Dihydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethylbutanamide","2010-07-06","2024-09-27","(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide",""],["3KQ","N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide","C24 H22 Cl2 N2 O5","Clc1c(c(Cl)cnc1)CC(=O)c3ccc(OC)c(OC)c3OCC(=O)NCc2ccccc2;COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCc3ccccc3)c1OC;COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl","InChI=1S/C24H22Cl2N2O5/c1-31-21-9-8-16(20(29)10-17-18(25)12-27-13-19(17)26)23(24(21)32-2)33-14-22(30)28-11-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,28,30)","","2014-09-05","2015-02-12","N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide","2014-10-08"],["3KR","1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide","C22 H23 F3 N2 O7 S","COCCN1CCC(CC1)(C(=O)N=O)[S](=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2;COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F","InChI=1S/C22H23F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9H,10-15H2,1H3","","2009-12-23","2011-06-04","1-(2-methoxyethyl)-N-oxo-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-piperidine-4-carboxamide",""],["PNZ","P-NITRO-BENZYLAMINE","C7 H8 N2 O2","[O-][N+](=O)c1ccc(cc1)CN;NCc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1CN)[N+](=O)[O-]","InChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2","","2005-11-17","2011-06-04","1-(4-nitrophenyl)methanamine",""],["PO0","1-BENZYL-(R)-PROPYLAMINE","C10 H15 N","NC(Cc1ccccc1)CC;CC[CH](N)Cc1ccccc1;CCC(Cc1ccccc1)N","InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m1/s1","","2001-02-26","2011-08-06","(2R)-1-phenylbutan-2-amine",""],["3KS","N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine","C17 H28 N4 O9","O=C(NC(C(=O)O)CCCC(C(=O)O)N)CCC(C(=O)O)NC(=O)C(NC(=O)C)C;C[CH](NC(C)=O)C(=O)N[CH](CCC(=O)N[CH](CCC[CH](N)C(O)=O)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C","InChI=1S/C17H28N4O9/c1-8(19-9(2)22)14(24)21-12(17(29)30)6-7-13(23)20-11(16(27)28)5-3-4-10(18)15(25)26/h8,10-12H,3-7,18H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)(H,27,28)(H,29,30)/t8-,10+,11-,12+/m0/s1","","2014-09-08","2014-12-19","N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine","2014-12-24"],["PO1","(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE","C19 H28 N2 O7 S2","O=S(=O)(Oc1cc4c(cc1OC)C3CCC2(C(CCC2OS(=O)(=O)N)C3CC4)C)N;COc1cc2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O[S](N)(=O)=O)O[S](N)(=O)=O;CC12CCC3c4cc(c(cc4CCC3C1CCC2OS(=O)(=O)N)OS(=O)(=O)N)OC","InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1","","2006-04-04","2011-06-04","(9beta,17beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate",""],["3KT","(2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one","C24 H42 N4 O","O=C1N(C(=[N@H])NC1(CC3CCCC(NC2CCCC2)C3)CCC4CCCCC4)C;CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCC[CH](C3)NC4CCCC4)C1=O;CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)NC4CCCC4","InChI=1S/C24H42N4O/c1-28-22(29)24(27-23(28)25,15-14-18-8-3-2-4-9-18)17-19-10-7-13-21(16-19)26-20-11-5-6-12-20/h18-21,26H,2-17H2,1H3,(H2,25,27)/t19-,21+,24+/m0/s1","","2014-09-08","2019-12-08","(2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one","2014-11-05"],["PO2","HYPOPHOSPHITE","O2 P","[O-]P=O;[O-]P=O","InChI=1S/HO2P/c1-3-2/h(H,1,2)/p-1","","2001-05-14","2024-09-27","",""],["3KU","N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide","C25 H37 N5 O2","O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)c2ccncc2)C3)CCC4CCCCC4)C;CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCC[CH](C3)NC(=O)c4ccncc4)C1=O;CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)NC(=O)c4ccncc4","InChI=1S/C25H37N5O2/c1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20/h11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31)/t19-,21+,25+/m0/s1","","2014-09-08","2020-06-27","N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide","2014-11-05"],["3KV","retinoic acid","C20 H28 O2","C1C(=C(C(C)(CC1)C)[C@H]=[C@H]C(=[C@H]C=CC(=CC(O)=O)C)C)C;CC1=C(C=CC(C)=CC=CC(C)=CC(O)=O)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C","InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+","trans Retinoic acid","2014-09-08","2016-10-18","retinoic acid","2015-04-08"],["PO3","PHOSPHITE ION","O3 P","[O-][PH2-]([O-])=O;[O-][P-]([O-])=O;[O-][P-](=O)[O-]","InChI=1S/O3P/c1-4(2)3/q-3","","1999-07-08","2024-09-27","dihydrido(dioxido)oxophosphate(1-)",""],["PO4","PHOSPHATE ION","O4 P","[O-]P([O-])([O-])=O;[O-][P]([O-])([O-])=O;[O-]P(=O)([O-])[O-]","InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3","","1999-07-08","2011-06-04","phosphate",""],["3KW","(2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one","C28 H39 N5 O","O=C1N(C(=[N@H])NC1(CC4CCCC(Nc2nc3c(cc2)cccc3)C4)CCC5CCCCC5)C;CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCC[CH](C3)Nc4ccc5ccccc5n4)C1=O;CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)Nc4ccc5ccccc5n4","InChI=1S/C28H39N5O/c1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,29,32)(H,30,31)/t21-,23+,28+/m0/s1","","2014-09-08","2020-06-27","(2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one","2014-11-05"],["3KX","6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one","C18 H21 N O2","O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCCCC3;OC1=C(C(=O)NC(=C1)CC2CCCCC2)c3ccccc3;c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O","InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21)","","2014-09-10","2015-01-16","6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one","2015-01-21"],["PO5","(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol","C25 H30 N8 O3","n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C)C)cc2)c3ccc4N5CCOCC5;CN(C)C[CH](O)COc1ccc(Nc2nccc(n2)c3cnn4nc(ccc34)N5CCOCC5)cc1;CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O","InChI=1S/C25H30N8O3/c1-31(2)16-19(34)17-36-20-5-3-18(4-6-20)28-25-26-10-9-22(29-25)21-15-27-33-23(21)7-8-24(30-33)32-11-13-35-14-12-32/h3-10,15,19,34H,11-14,16-17H2,1-2H3,(H,26,28,29)/t19-/m0/s1","","2008-09-17","2011-06-04","(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol",""],["PO6","2-phenoxyacetamide","C8 H9 N O2","O=C(N)COc1ccccc1;NC(=O)COc1ccccc1;c1ccc(cc1)OCC(=O)N","InChI=1S/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)","","2012-07-19","2014-10-24","2-phenoxyacetamide","2014-10-29"],["3KY","6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one","C20 H25 N O2","O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCC(C)(C)CC3;CC1(C)CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O;CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C","InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)","","2014-09-10","2015-01-16","6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one","2015-01-21"],["PO7","(6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione","C19 H18 F2 N4 O2","CC(C)(C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cc(F)ccc3F;CC(C)(C)c1c([nH]cn1)C=C2C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2","InChI=1S/C19H18F2N4O2/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-6-11(20)4-5-12(10)21/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26)/b14-7?,15-8-","","2017-05-16","2017-10-13","(6~{Z})-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-~{tert}-butyl-1~{H}-imidazol-5-yl)methylidene]piperazine-2,5-dione","2017-10-18"],["3KZ","(1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","C24 H27 F N4 O2","Fc1ccccc1c4cc3OCC2=NNC(=O)C(N2c3cc4C5CCN(C)CC5C)C;C[CH]1CN(C)CC[CH]1c2cc3N4[CH](C)C(=O)NN=C4COc3cc2c5ccccc5F;CC1CN(CCC1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)C(N35)C)C","InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15-,16+/m1/s1","","2014-09-10","2014-10-03","(1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","2014-10-08"],["PO8","(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C7 H16 N O5","[NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;C(C1C(C(C(C(C1O)O)O)O)[NH3+])O","InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1","","2020-04-26","2024-09-27","[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium","2021-05-12"],["3L0","(1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","C23 H27 N5 O2","O=C5NN=C1N(c4c(OC1)cc(c2ccccc2)c(N(C3(C)CN(C)C3)C)c4)C5C;C[CH]1N2C(=NNC1=O)COc3cc(c4ccccc4)c(cc23)N(C)C5(C)CN(C)C5;CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C","InChI=1S/C23H27N5O2/c1-15-22(29)25-24-21-12-30-20-10-17(16-8-6-5-7-9-16)18(11-19(20)28(15)21)27(4)23(2)13-26(3)14-23/h5-11,15H,12-14H2,1-4H3,(H,25,29)/t15-/m1/s1","(6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)","2014-09-10","2021-03-13","(1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one","2014-10-08"],["PO9","[(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate","C40 H78 O13 P2","CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(COP(=O)(O)O)O","InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1","","2021-01-07","2021-12-03","[(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S})-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (~{Z})-octadec-9-enoate","2021-12-08"],["3L1","(2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol","C10 H13 N5 O3","n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N","InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1","L-2'-deoxyadenosine","2008-02-18","2021-03-01","9-(2-deoxy-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine",""],["3L2","(4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione","C27 H34 O9","O=C1OC5CC4OC2C=C(C)CCC2(COC(=O)C(O)C(C)CCOC(=O)C=CC=C1)C5(C)C34OC3;C[CH]1CCOC(=O)C=CC=CC(=O)O[CH]2C[CH]3O[CH]4C=C(C)CC[C]4(COC(=O)[CH]1O)[C]2(C)[C]35CO5;CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4","InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1","Verrucarin A","2014-09-11","2021-03-01","(4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione","2014-10-22"],["POA","PHOSPHONOACETALDEHYDE","C2 H5 O4 P","O=CCP(=O)(O)O;O[P](O)(=O)CC=O;C(C=O)P(=O)(O)O","InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)","","2002-07-12","2024-09-27","(2-oxoethyl)phosphonic acid",""],["3L3","[(E)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid","C13 H19 Br N6 O8 P2","O=P(O)(O)/C=C/N(CCO/C=C/P(=O)(O)O)CCn1c2N=C(NC(=O)c2nc1Br)N;NC1=Nc2n(CCN(CCOC=C[P](O)(O)=O)C=C[P](O)(O)=O)c(Br)nc2C(=O)N1;C(CN(CCOC=CP(=O)(O)O)C=CP(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N","InChI=1S/C13H19BrN6O8P2/c14-12-16-9-10(17-13(15)18-11(9)21)20(12)2-1-19(4-7-29(22,23)24)3-5-28-6-8-30(25,26)27/h4,6-8H,1-3,5H2,(H2,22,23,24)(H2,25,26,27)(H3,15,17,18,21)/b7-4+,8-6+","","2014-09-11","2015-01-02","[(E)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid","2015-01-07"],["POB","2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID","C6 H15 N O8 P2","O=P(O)(OP(=O)(OC(C(=O)O)CC)C(N)C)O;CC[CH](O[P](=O)(O[P](O)(O)=O)[CH](C)N)C(O)=O;CCC(C(=O)O)OP(=O)(C(C)N)OP(=O)(O)O","InChI=1S/C6H15NO8P2/c1-3-5(6(8)9)14-16(10,4(2)7)15-17(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5+,16+/m0/s1","","1999-07-08","2011-06-04","(2R)-2-{[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]oxy}butanoic acid",""],["3L4","[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid","C12 H20 N6 O8 P2","O=P(O)(O)/C=C/N(CCOCP(=O)(O)O)CCn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(CCN(CCOC[P](O)(O)=O)C=C[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CCN(CCOCP(=O)(O)O)C=CP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C12H20N6O8P2/c13-12-15-10-9(11(19)16-12)14-7-18(10)2-1-17(4-6-27(20,21)22)3-5-26-8-28(23,24)25/h4,6-7H,1-3,5,8H2,(H2,20,21,22)(H2,23,24,25)(H3,13,15,16,19)/b6-4+","","2014-09-11","2015-01-02","[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid","2015-01-07"],["POC","PHOSPHOCHOLINE","C5 H15 N O4 P","O=P(O)(O)OCC[N+](C)(C)C;C[N+](C)(C)CCO[P](O)(O)=O;C[N+](C)(C)CCOP(=O)(O)O","InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1/fC5H15NO4P/h7-8H/q+1","","1999-07-08","2008-10-14","N,N,N-trimethyl-2-(phosphonooxy)ethanaminium",""],["POD","9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE","C22 H22 O8","O=C4OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC)c3)C45;COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24;COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)O)OCO4","InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1","PODOPHYLLOTOXIN","2004-03-04","2020-06-17","(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one",""],["3L5","(2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid","C13 H24 N6 O8 P2","O=P(O)(O)CCOCCN(CCP(=O)(O)O)CCn1c2NC(=NC(=O)c2nc1)N;NC1=NC(=O)c2ncn(CCN(CCOCC[P](O)(O)=O)CC[P](O)(O)=O)c2N1;c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N","InChI=1S/C13H24N6O8P2/c14-13-16-11-10(12(20)17-13)15-9-19(11)2-1-18(4-7-28(21,22)23)3-5-27-6-8-29(24,25)26/h9H,1-8H2,(H2,21,22,23)(H2,24,25,26)(H3,14,16,17,20)","","2014-09-11","2015-01-02","(2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid","2015-01-07"],["POF","(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate","C24 H27 N3 O5 S","O=S(=O)(Oc1cc3c(cc1)C2CCC4(C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N;C[C]12CC[CH]3[CH](CCc4cc(O[S](N)(=O)=O)ccc34)[CH]1CC(=O)N(Cc5cccnc5)C2=O;CC12CCC3c4ccc(cc4CCC3C1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N","InChI=1S/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/m1/s1","","2008-02-12","2011-06-04","(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate",""],["3L6","(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid","C12 H22 N7 O4 P","O=P(O)(O)CCN(CCCN)CCn1c2N=C(NC(=O)c2nc1)N;NCCCN(CCn1cnc2C(=O)NC(=Nc12)N)CC[P](O)(O)=O;c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C12H22N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1-7,13H2,(H2,21,22,23)(H3,14,16,17,20)","","2014-09-11","2015-01-02","(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid","2015-01-07"],["POG","(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL","C21 H44 O8","O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C;C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO;CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O","InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1","POLYPROPYLENE GLYCOL; HEPTAPROPYLENE GLYCOL","2004-09-01","2020-05-27","(20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol",""],["3L7","(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid","C13 H21 N5 O8 P2","O=P(O)(O)/C=C/OCCN(CCP(=O)(O)O)CCn1c2N=CNC(=O)c2nc1;O[P](O)(=O)CCN(CCOC=C[P](O)(O)=O)CCn1cnc2C(=O)NC=Nc12;c1nc2c(n1CCN(CCOC=CP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O","InChI=1S/C13H21N5O8P2/c19-13-11-12(14-9-15-13)18(10-16-11)2-1-17(4-7-27(20,21)22)3-5-26-6-8-28(23,24)25/h6,8-10H,1-5,7H2,(H,14,15,19)(H2,20,21,22)(H2,23,24,25)/b8-6+","","2014-09-11","2015-01-02","(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid","2015-01-07"],["3L8","[(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid","C12 H21 N5 O8 P2","O=P(O)(O)COCCN(CCP(=O)(O)O)CCn1c2N=CNC(=O)c2nc1;O[P](O)(=O)CCN(CCOC[P](O)(O)=O)CCn1cnc2C(=O)NC=Nc12;c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O","InChI=1S/C12H21N5O8P2/c18-12-10-11(13-7-14-12)17(8-15-10)2-1-16(4-6-26(19,20)21)3-5-25-9-27(22,23)24/h7-8H,1-6,9H2,(H,13,14,18)(H2,19,20,21)(H2,22,23,24)","","2014-09-11","2015-01-02","[(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid","2015-01-07"],["POH","(1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin","C44 H38 N8","n5c6c(c1nc(cc1)c(c2cc[n+](cc2)C)c3nc(C=C3)c(c4cc[n+](cc4)C)c8ccc(c(c5C=C6)c7cc[n+](cc7)C)n8)c9cc[n+](cc9)C;C[n+]1ccc(cc1)c2c3[nH]c(cc3)c(c4cc[n+](C)cc4)c5ccc(n5)c(c6[nH]c(cc6)c(c7cc[n+](C)cc7)c8ccc2n8)c9cc[n+](C)cc9;C[n+]1ccc(cc1)c2c3ccc([nH]3)c(c4nc(c(c5ccc([nH]5)c(c6nc2C=C6)c7cc[n+](cc7)C)c8cc[n+](cc8)C)C=C4)c9cc[n+](cc9)C","InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-","TMPyP4","2005-07-15","2021-03-01","4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium)",""],["POI","N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-ORNITHINE","C15 H24 N3 O8 P","O=C(O)C(NC(=O)C)CCCNCc1c(cnc(c1O)C)COP(=O)(O)O;CC(=O)N[CH](CCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(C(=O)O)NC(=O)C)O","InChI=1S/C15H24N3O8P/c1-9-14(20)12(11(6-17-9)8-26-27(23,24)25)7-16-5-3-4-13(15(21)22)18-10(2)19/h6,13,16,20H,3-5,7-8H2,1-2H3,(H,18,19)(H,21,22)(H2,23,24,25)/t13-/m0/s1","","2004-06-21","2011-06-04","N~2~-acetyl-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-ornithine",""],["3L9","Montbretin A","C53 H64 O33","O=C(OCC8OC(OC6C(O)C(O)C(OC6OC=1C(=O)c5c(O)cc(O)cc5OC=1c4cc(O)c(OC3OCC(OC2OC(C)C(O)C(O)C2O)C(O)C3O)c(O)c4)C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C8O)C=Cc9ccc(O)c(O)c9;C[CH]1O[CH](O[CH]2CO[CH](Oc3c(O)cc(cc3O)C4=C(O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O[CH]6O[CH](COC(=O)C=Cc7ccc(O)c(O)c7)[CH](O)[CH](O)[CH]6O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)C(=O)c9c(O)cc(O)cc9O4)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2COC(C(C2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)OC6C(C(C(C(O6)C)O)O)OC7C(C(C(C(O7)COC(=O)C=Cc8ccc(c(c8)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O","InChI=1S/C53H64O33/c1-15-31(62)37(68)42(73)50(77-15)81-28-14-76-49(41(72)35(28)66)83-45-23(59)8-18(9-24(45)60)44-46(36(67)30-22(58)10-19(55)11-25(30)79-44)84-52-47(39(70)32(63)16(2)78-52)86-53-48(85-51-43(74)38(69)33(64)26(12-54)80-51)40(71)34(65)27(82-53)13-75-29(61)6-4-17-3-5-20(56)21(57)7-17/h3-11,15-16,26-28,31-35,37-43,47-60,62-66,68-74H,12-14H2,1-2H3/b6-4+/t15-,16-,26+,27+,28+,31-,32-,33+,34+,35-,37+,38-,39+,40-,41+,42+,43+,47+,48+,49-,50-,51-,52-,53-/m0/s1","2-(4-{[4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranosyl]oxy}-3,5-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranoside","2014-09-12","2021-03-13","2-(4-{[4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranosyl]oxy}-3,5-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranoside","2015-07-15"],["POJ","N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea","C23 H27 F3 N4 O4 S","c2(ccc(NC(Nc1ccc(cc1)C(F)(F)F)=O)cc2)S(N4CCCC4CN3CCOCC3)(=O)=O;FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCC[CH]3CN4CCOCC4)cc1;c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3CN4CCOCC4","InChI=1S/C23H27F3N4O4S/c24-23(25,26)17-3-5-18(6-4-17)27-22(31)28-19-7-9-21(10-8-19)35(32,33)30-11-1-2-20(30)16-29-12-14-34-15-13-29/h3-10,20H,1-2,11-16H2,(H2,27,28,31)/t20-/m0/s1","","2019-08-16","2020-08-14","N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea","2020-08-19"],["3LA","3-OXODODECANOIC ACID","C12 H22 O3","O=C(CCCCCCCCC)CC(=O)O;CCCCCCCCCC(=O)CC(O)=O;CCCCCCCCCC(=O)CC(=O)O","InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)","3-OXO-LAURIC ACID","2009-11-16","2021-03-01","3-oxododecanoic acid",""],["POK","2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid","C8 H16 N4 O4","N[CH](CCCNC(=N)NCC(O)=O)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NCC(=O)O","InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1","","2020-04-27","2024-09-27","(2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid","2020-06-03"],["3LB","(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid","C27 H34 N10 O13 S3","O=S(=O)(C)CCCN2C(=O)N(N=C2C=1N=CC(O)C(=O)C=1)S(=O)(=O)NC(=O)NC(CC=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N;CC(C)(ON=C(C(=O)N[CH](C=O)[CH](CC=C)NC(=O)N[S](=O)(=O)N1N=C(N(CCC[S](C)(=O)=O)C1=O)C2=CC(=O)[CH](O)C=N2)c3csc(N)n3)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C(CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C","InChI=1S/C27H34N10O13S3/c1-5-7-14(16(12-38)30-22(41)20(17-13-51-24(28)31-17)34-50-27(2,3)23(42)43)32-25(44)35-53(48,49)37-26(45)36(8-6-9-52(4,46)47)21(33-37)15-10-18(39)19(40)11-29-15/h5,10-14,16,19,40H,1,6-9H2,2-4H3,(H2,28,31)(H,30,41)(H,42,43)(H2,32,35,44)/b34-20-/t14-,16-,19-/m1/s1","","2014-09-12","2024-09-27","(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid","2015-04-22"],["POL","N-PROPANOL","C3 H8 O","OCCC;CCCO;CCCO","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","1-PROPONOL","1999-07-08","2024-09-27","propan-1-ol",""],["3LC","(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid","C26 H32 N10 O13 S3","O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N;CC(C)(ON=C(C(=O)N[CH](C=O)[CH](NC(=O)N[S](=O)(=O)N1N=C(N(CCC[S](C)(=O)=O)C1=O)C2=NC=C(O)C(=O)C2)C=C)c3csc(N)n3)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C(C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C","InChI=1S/C26H32N10O13S3/c1-5-13(15(11-37)29-21(40)19(16-12-50-23(27)30-16)33-49-26(2,3)22(41)42)31-24(43)34-52(47,48)36-25(44)35(7-6-8-51(4,45)46)20(32-36)14-9-17(38)18(39)10-28-14/h5,10-13,15,39H,1,6-9H2,2-4H3,(H2,27,30)(H,29,40)(H,41,42)(H2,31,34,43)/b33-19-/t13-,15+/m0/s1","","2014-09-12","2024-09-27","(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid","2015-04-22"],["3LD","3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one","C12 H12 N2 O2","O=C1C=C(NN=C1O)CCc2ccccc2;OC1=NNC(=CC1=O)CCc2ccccc2;c1ccc(cc1)CCC2=CC(=O)C(=NN2)O","InChI=1S/C12H12N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16)","","2013-01-24","2013-05-24","3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one","2013-05-29"],["POM","CIS-5-METHYL-4-OXOPROLINE","C6 H9 N O3","O=C1C(NC(C(=O)O)C1)C;C[CH]1N[CH](CC1=O)C(O)=O;CC1C(=O)CC(N1)C(=O)O","InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1","","1999-07-08","2024-09-27","(5S)-5-methyl-4-oxo-L-proline",""],["3LE","(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid","C25 H32 N10 O13 S3","O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N;C[CH](NC(=O)N[S](=O)(=O)N1N=C(N(CCC[S](C)(=O)=O)C1=O)C2=NC=C(O)C(=O)C2)[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c3csc(N)n3)C=O;CC(C(C=O)NC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C","InChI=1S/C25H32N10O13S3/c1-12(14(10-36)29-20(39)18(15-11-49-22(26)30-15)32-48-25(2,3)21(40)41)28-23(42)33-51(46,47)35-24(43)34(6-5-7-50(4,44)45)19(31-35)13-8-16(37)17(38)9-27-13/h9-12,14,38H,5-8H2,1-4H3,(H2,26,30)(H,29,39)(H,40,41)(H2,28,33,42)/b32-18-/t12-,14+/m0/s1","","2014-09-12","2024-09-27","(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid","2015-04-22"],["PON","IMIDO DIPHOSPHATE","H3 N O6 P2","O[P]([O-])(=N)O[P](O)([O-])=O;N=P(O)([O-])OP(=O)(O)[O-]","InChI=1S/H4NO6P2/c1-8(2,3)7-9(4,5)6/h(H4-,1,2,3,4,5,6)/q-1/p-1","","2000-08-04","2011-06-04","(hydroxy-oxido-phosphinimyl) hydrogen phosphate",""],["3LF","3-(3,4,5-trimethoxyphenyl)propanoic acid","C12 H16 O5","O=C(O)CCc1cc(OC)c(OC)c(OC)c1;COc1cc(CCC(O)=O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CCC(=O)O","InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)","","2014-09-12","2016-11-25","3-(3,4,5-trimethoxyphenyl)propanoic acid","2016-11-30"],["POO","3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID","C31 H39 N3 O3","O=C(O)c1ccc3c(c1)n(c(c2ccccc2)c3C4CCCCC4)CC(=O)N(CC5CCCN(C)C5)C;CN1CCC[CH](C1)CN(C)C(=O)Cn2c3cc(ccc3c(C4CCCCC4)c2c5ccccc5)C(O)=O;CN1CCCC(C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O","InChI=1S/C31H39N3O3/c1-32-17-9-10-22(19-32)20-33(2)28(35)21-34-27-18-25(31(36)37)15-16-26(27)29(23-11-5-3-6-12-23)30(34)24-13-7-4-8-14-24/h4,7-8,13-16,18,22-23H,3,5-6,9-12,17,19-21H2,1-2H3,(H,36,37)/t22-/m1/s1","","2005-05-06","2011-06-04","3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid",""],["3LG","(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID","C32 H35 N3 O7","O=C(O)Cn5ccc4cc(OCC1N(C(=O)CNC1)c3ccc(OCCCOCc2ccccc2OC)cc3)ccc45;COc1ccccc1COCCCOc2ccc(cc2)N3[CH](CNCC3=O)COc4ccc5n(CC(O)=O)ccc5c4;COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O","InChI=1S/C32H35N3O7/c1-39-30-6-3-2-5-24(30)21-40-15-4-16-41-27-9-7-25(8-10-27)35-26(18-33-19-31(35)36)22-42-28-11-12-29-23(17-28)13-14-34(29)20-32(37)38/h2-3,5-14,17,26,33H,4,15-16,18-22H2,1H3,(H,37,38)/t26-/m1/s1","","2006-02-27","2011-06-04","(5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid",""],["POP","PYROPHOSPHATE 2-","H2 O7 P2","[O-]P(=O)(O)OP([O-])(=O)O;O[P]([O-])(=O)O[P](O)([O-])=O;OP(=O)([O-])OP(=O)(O)[O-]","InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2","","1999-07-08","2024-09-27","dihydrogen diphosphate",""],["POQ","BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE","C16 H33 O20 P3","O=P(O)(OCC)OC1C(O)C(O)C(OC1O)COP(=O)(O)OCC2OC(O)C(OP(=O)(O)OCC)C(O)C2O;CCO[P](O)(=O)O[CH]1[CH](O)O[CH](CO[P](O)(=O)OC[CH]2O[CH](O)[CH](O[P](O)(=O)OCC)[CH](O)[CH]2O)[CH](O)[CH]1O;CCOP(=O)(O)OC1C(C(C(OC1O)COP(=O)(O)OCC2C(C(C(C(O2)O)OP(=O)(O)OCC)O)O)O)O","InChI=1S/C16H33O20P3/c1-3-29-38(25,26)35-13-11(19)9(17)7(33-15(13)21)5-31-37(23,24)32-6-8-10(18)12(20)14(16(22)34-8)36-39(27,28)30-4-2/h7-22H,3-6H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t7-,8?,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1","","2005-08-11","2011-06-04","(2R,3R,4S,5S,6R)-6-({[{[(2S,3S,4S,5R,6R)-5-{[(R)-ethoxy(hydroxy)phosphoryl]oxy}-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}methyl)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl ethyl hydrogen (S)-phosphate (non-preferred name)",""],["3LH","N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide","C25 H21 N5 O2","O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC;CCC(=O)Nc1cc(ccc1C)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5c[nH]nc5;CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5","InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31)","","2014-09-12","2024-09-27","N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide","2016-05-04"],["POR","PORPHYRIN FE(III)","C20 H12 Fe N4","[Fe]1n2c3ccc2C=C4C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15;c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8","InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/q-2;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;","","1999-07-08","2023-09-23","",""],["3LI","(4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide","C28 H33 Cl N10 O4 S","Clc1ccccc1N5CCN(c2nc(nc(n2)N3C(C(=O)NCC(=O)NO)CSC3)Nc4c(cccc4C(=O)NC)C)CC5;CNC(=O)c1cccc(C)c1Nc2nc(nc(n2)N3CSC[CH]3C(=O)NCC(=O)NO)N4CCN(CC4)c5ccccc5Cl;Cc1cccc(c1Nc2nc(nc(n2)N3CSCC3C(=O)NCC(=O)NO)N4CCN(CC4)c5ccccc5Cl)C(=O)NC","InChI=1S/C28H33ClN10O4S/c1-17-6-5-7-18(24(41)30-2)23(17)32-26-33-27(38-12-10-37(11-13-38)20-9-4-3-8-19(20)29)35-28(34-26)39-16-44-15-21(39)25(42)31-14-22(40)36-43/h3-9,21,43H,10-16H2,1-2H3,(H,30,41)(H,31,42)(H,36,40)(H,32,33,34,35)/t21-/m0/s1","","2011-07-12","2011-07-22","(4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide",""],["POS","1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL","C27 H32 N4 O6 S","O=C(NC(C(=O)NCC(O)CNS(=O)(=O)c2ccc(Oc1ccccc1)cc2)CC(C)C)c3ccncc3;CC(C)C[CH](NC(=O)c1ccncc1)C(=O)NC[CH](O)CN[S](=O)(=O)c2ccc(Oc3ccccc3)cc2;CC(C)CC(C(=O)NCC(CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3","InChI=1S/C27H32N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,21,25,30,32H,16-18H2,1-2H3,(H,29,34)(H,31,33)/t21-,25+/m1/s1","","1999-07-08","2024-09-27","N-[(2R)-2-hydroxy-3-{[(4-phenoxyphenyl)sulfonyl]amino}propyl]-N~2~-(pyridin-4-ylcarbonyl)-L-leucinamide",""],["3LJ","2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose","C6 H13 N O8 S","O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O;N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O","InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1","N-acetyl-6-O-sulfo-alpha-D-glucosamine; 2-amino-2-deoxy-6-O-sulfo-alpha-D-glucose;\n2-amino-2-deoxy-6-O-sulfo-D-glucose; 2-amino-2-deoxy-6-O-sulfo-glucose","2014-09-12","2020-07-17","2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose","2014-11-05"],["POT","(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE","C11 H16 Cl O3 P","ClP(=O)(OC(COc1ccccc1)CC)C;CC[CH](COc1ccccc1)O[P](C)(Cl)=O;CCC(COc1ccccc1)OP(=O)(C)Cl","InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1","(RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE","2006-11-20","2024-09-27","(1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate",""],["3LK","BC-3205","C32 H54 N2 O5 S","O=C(N4CCCC(SCC(=O)OC3CC(C)(CC)C(O)C(C)C21CCC(=O)C1C3(C)C(C)CC2)C4)C(N)C(C)C;CC[C]1(C)C[CH](OC(=O)CS[CH]2CCCN(C2)C(=O)[CH](N)C(C)C)[C]3(C)[CH](C)CC[C]4(CCC(=O)[CH]34)[CH](C)[CH]1O;CCC1(CC(C2(C(CCC3(C2C(=O)CC3)C(C1O)C)C)C)OC(=O)CSC4CCCN(C4)C(=O)C(C(C)C)N)C","InChI=1S/C32H54N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h19-22,24,26-28,37H,8-18,33H2,1-7H3/t20-,21+,22+,24-,26+,27+,28+,30-,31+,32+/m1/s1","","2014-09-16","2015-10-16","(3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3S)-1-(L-valyl)piperidin-3-yl]sulfanyl}acetate","2015-10-21"],["POU","Peloruside A","C27 H48 O11","O=C1OC(C(=C/C(CC)CO)C)CC(OC)CC(O)C(C)(C)C2(O)OC(CC(OC)C1O)CC(OC)C2O;CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[C]2(O)O[CH](C[CH](OC)[CH](O)C(=O)O1)C[CH](OC)[CH]2O)OC;CCC(CO)C=C(C)C1CC(CC(C(C2(C(C(CC(O2)CC(C(C(=O)O1)O)OC)OC)O)O)(C)C)O)OC","InChI=1S/C27H48O11/c1-8-16(14-28)9-15(2)19-10-17(34-5)13-22(29)26(3,4)27(33)24(31)21(36-7)12-18(38-27)11-20(35-6)23(30)25(32)37-19/h9,16-24,28-31,33H,8,10-14H2,1-7H3/b15-9-/t16-,17-,18+,19+,20-,21-,22+,23+,24-,27+/m1/s1","(1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one","2014-01-31","2021-03-13","(1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one","2014-03-26"],["3LL","(5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine","C25 H19 F N4 O3","Fc1ncccc1c6cc5c(Oc3ncc(C#CC2(C)COC2)cc3C54N=C(OC4)N)cc6;CC1(COC1)C#Cc2cnc3Oc4ccc(cc4[C]5(COC(=N5)N)c3c2)c6cccnc6F;CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4C35COC(=N5)N)c6cccnc6F","InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1","","2014-09-16","2015-01-16","(5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine","2015-01-21"],["POV","(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate","C42 H82 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1","POPC","2010-03-17","2020-06-17","(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate",""],["3LM","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid","C13 H19 N2 O7 P S","O=P(O)(O)OCc1cnc(c(O)c1CNC(=C/CSC)/C(=O)O)C;CSCC=C(NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=CCSC)C(=O)O)O","InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h3,5,15-16H,4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/b11-3+","","2010-03-03","2011-06-04","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid",""],["3LN","(4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine","C24 H24 N4 O3","O4c2ccc(c1cncnc1)cc2C3(N=C(OC3)N)c5c4ccc(OCC(C)(C)C)c5;CC(C)(C)COc1ccc2Oc3ccc(cc3[C]4(COC(=N4)N)c2c1)c5cncnc5;CC(C)(C)COc1ccc2c(c1)C3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5","InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1","","2014-09-16","2014-12-19","(4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine","2014-12-24"],["POW","Diperodon","C22 H27 N3 O4","O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3","InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m1/s1","[(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate","2020-04-27","2021-03-01","[(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate","2021-01-13"],["POX","4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime","C22 H22 F N7 O2","Fc1cccc(c1)Cn3ncc2cc(ccc23)Nc4ncnc(N)c4C=NOCCOC;COCCON=Cc1c(N)ncnc1Nc2ccc3n(Cc4cccc(F)c4)ncc3c2;COCCON=Cc1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N","InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+","","2007-12-07","2011-06-04","4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime",""],["3LO","(4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine","C25 H19 F2 N3 O3","Fc1ncccc1c6cc5c(Oc3c(F)cc(C2=CCOCC2)cc3C54N=C(OC4)N)cc6;NC1=N[C]2(CO1)c3cc(ccc3Oc4c(F)cc(cc24)C5=CCOCC5)c6cccnc6F;c1cc(c(nc1)F)c2ccc3c(c2)C4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6","InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/m0/s1","","2014-09-16","2014-12-19","(4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine","2014-12-24"],["POY","3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione","C15 H22 N4 O3","O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC;CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12;CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C","InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3","Propentofylline","2010-12-21","2020-06-17","3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione",""],["3LP","1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL","C22 H32 N2 O","OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C;Cc1ccc2n(C[CH](O)CNC3CCCCC3)c4CCCCc4c2c1;Cc1ccc2c(c1)c3c(n2CC(CNC4CCCCC4)O)CCCC3","InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1","","2007-03-28","2011-06-04","(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)propan-2-ol",""],["POZ","2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol","C37 H42 F2 N8 O4","O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC4OC(c3ccc(F)cc3F)(CC4)Cn5ncnc5)cc6)CC7)C(CC)C(O)C;CC[CH]([CH](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[CH]5CC[C](Cn6cncn6)(O5)c7ccc(F)cc7F)cc4;CCC(C(C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC5CCC(O5)(Cn6cncn6)c7ccc(cc7F)F","InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)30-7-5-28(6-8-30)43-16-18-44(19-17-43)29-9-11-31(12-10-29)50-21-32-14-15-37(51-32,22-45-24-40-23-41-45)33-13-4-27(38)20-34(33)39/h4-13,20,23-26,32,35,48H,3,14-19,21-22H2,1-2H3/t26-,32-,35-,37+/m0/s1","","2009-09-30","2011-06-04","2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol",""],["3LQ","5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile","C23 H17 N3 O4","N#Cc1ccc4c(c1)cccc4Oc3ccccc3OCCN2C=CC(=O)NC2=O;O=C1NC(=O)N(CCOc2ccccc2Oc3cccc4cc(ccc34)C#N)C=C1;c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N","InChI=1S/C23H17N3O4/c24-15-16-8-9-18-17(14-16)4-3-7-19(18)30-21-6-2-1-5-20(21)29-13-12-26-11-10-22(27)25-23(26)28/h1-11,14H,12-13H2,(H,25,27,28)","","2014-09-17","2014-11-28","5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile","2014-12-03"],["PP0","ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate","C23 H31 N3 O3","O=C(OCC)c1c(c(c(n1CC)C)C(=O)N3CCN(Cc2ccccc2)CC3)C;CCOC(=O)c1n(CC)c(C)c(c1C)C(=O)N2CCN(CC2)Cc3ccccc3;CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C","InChI=1S/C23H31N3O3/c1-5-26-18(4)20(17(3)21(26)23(28)29-6-2)22(27)25-14-12-24(13-15-25)16-19-10-8-7-9-11-19/h7-11H,5-6,12-16H2,1-4H3","","2009-09-04","2011-06-04","ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate",""],["3LR","3,6-dideoxy-L-arabino-hexonic acid","C6 H12 O5","O=C(O)C(O)CC(O)C(O)C;C[CH](O)[CH](O)C[CH](O)C(O)=O;CC(C(CC(C(=O)O)O)O)O","InChI=1S/C6H12O5/c1-3(7)4(8)2-5(9)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11)/t3-,4+,5+/m0/s1","3-deoxy-L-rhamnonic acid","2008-05-01","2020-06-17","3,6-dideoxy-L-arabino-hexonic acid",""],["3LS","3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid","C26 H16 O8 S5","O=C(O)c1sc(cc1)c5sc(c4sc(c2sc(cc2CC(=O)O)c3sc(C(=O)O)cc3)cc4)c(c5)CC(=O)O;OC(=O)Cc1cc(sc1c2sc(cc2)c3sc(cc3CC(O)=O)c4sc(cc4)C(O)=O)c5sc(cc5)C(O)=O;c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O","InChI=1S/C26H16O8S5/c27-21(28)9-11-7-19(13-1-5-17(35-13)25(31)32)38-23(11)15-3-4-16(37-15)24-12(10-22(29)30)8-20(39-24)14-2-6-18(36-14)26(33)34/h1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)","","2014-09-17","2017-01-26","3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid","2017-02-01"],["PP1","1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE","C16 H19 N5","n1c(c2c(nc1)n(nc2c3ccc(cc3)C)C(C)(C)C)N;Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C;Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N","InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)","","1999-07-08","2011-06-04","1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["PP2","1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE","C15 H17 Cl N5","Clc3ccc(c1[nH+]n(c2ncnc(c12)N)C(C)(C)C)cc3;CC(C)(C)n1[nH+]c(c2ccc(Cl)cc2)c3c(N)ncnc13;CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N","InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)/p+1","","1999-07-08","2011-06-04","4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium",""],["3LT","(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid","C19 H32 N4 O11","C1(OC(C(C(C1NC(=O)C)OC(C(NC(C)C(=O)NC(C(=O)N)CCC(=O)O)=O)C)O)CO)O;C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(=O)N[CH](CCC(O)=O)C(N)=O;CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C","InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1","","2014-09-19","2015-10-09","(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name)","2015-10-14"],["3LU","1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium","C21 H22 N3 O8 S2","O=S(=O)(O)C(c1ccccc1)C(=O)NC(C(=O)O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3;OC(=O)[CH](NC(=O)[CH](c1ccccc1)[S](O)(=O)=O)[CH]2NC(=C(CS2)C[n+]3ccccc3)C(O)=O;c1ccc(cc1)C(C(=O)NC(C2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O","InChI=1S/C21H21N3O8S2/c25-18(17(34(30,31)32)13-7-3-1-4-8-13)22-16(21(28)29)19-23-15(20(26)27)14(12-33-19)11-24-9-5-2-6-10-24/h1-10,16-17,19,23H,11-12H2,(H3-,22,25,26,27,28,29,30,31,32)/p+1/t16-,17+,19+/m0/s1","Cefsulodin, bound form","2014-09-19","2025-05-15","1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium","2015-07-01"],["PP3","ALANYL-PYRIDOXAL-5'-PHOSPHATE","C11 H17 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C;C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O","InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1","PYRIDOXYL-ALANINE-5-PHOSPHATE; VITAMIN B6 COMPLEXED WITH ALANINE","1999-08-12","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine",""],["3LV","4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid","C20 H30 N2 O5","CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(O)=O;CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O","InChI=1S/C20H30N2O5/c1-3-9-21(10-4-2)12-16-11-15(19(26)27)5-6-17(16)22-18(25)7-8-20(22,13-23)14-24/h5-6,11,23-24H,3-4,7-10,12-14H2,1-2H3,(H,26,27)","","2010-02-26","2012-05-11","4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid",""],["PP4","METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE","C28 H32 N2 O7 P","O=CNC(C(=O)NC(Cc2cc1ccccc1cc2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C;COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)[CH](NC=O)C(C)C;CC(C)C(C(=O)NC(Cc1ccc2ccccc2c1)P(=O)([O-])OC(Cc3ccccc3)C(=O)OC)NC=O","InChI=1S/C28H33N2O7P/c1-19(2)26(29-18-31)27(32)30-25(17-21-13-14-22-11-7-8-12-23(22)15-21)38(34,35)37-24(28(33)36-3)16-20-9-5-4-6-10-20/h4-15,18-19,24-26H,16-17H2,1-3H3,(H,29,31)(H,30,32)(H,34,35)/p-1/t24-,25+,26-/m0/s1","","1999-07-08","2011-06-04","N-[(1R)-1-{[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}-2-naphthalen-2-ylethyl]-N~2~-formyl-L-valinamide",""],["PP5","METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE","C28 H32 N2 O7 P","O=C(NC(C(=O)NCP([O-])(=O)OC(C(=O)OC)Cc1ccccc1)C(C)C)Cc3c2ccccc2ccc3;COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)CNC(=O)[CH](NC(=O)Cc2cccc3ccccc23)C(C)C;CC(C)C(C(=O)NCP(=O)([O-])OC(Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3","InChI=1S/C28H33N2O7P/c1-19(2)26(30-25(31)17-22-14-9-13-21-12-7-8-15-23(21)22)27(32)29-18-38(34,35)37-24(28(33)36-3)16-20-10-5-4-6-11-20/h4-15,19,24,26H,16-18H2,1-3H3,(H,29,32)(H,30,31)(H,34,35)/p-1/t24-,26-/m0/s1","","1999-07-08","2011-06-04","N-({[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}methyl)-N~2~-(naphthalen-1-ylacetyl)-L-valinamide",""],["3LW","(3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium","C15 H21 Br N S","Brc1sc(cc1)C[NH2+]C34CC2CC(CC(C2)C3)C4;Brc1sc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1;c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br","InChI=1S/C15H20BrNS/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-9H2/p+1/t10-,11+,12-,15-","","2014-09-19","2014-12-19","(3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium","2014-12-24"],["PP6","METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]","C29 H32 N2 O7 P","O=C(OC)C(OP([O-])(=O)C3NC(=O)C(NC(=O)Cc1c2c(ccc1)ccc(c2)C3)C(C)C)Cc4ccccc4;COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)[CH]2Cc3ccc4cccc(CC(=O)N[CH](C(C)C)C(=O)N2)c4c3;CC(C)C1C(=O)NC(Cc2ccc3cccc(c3c2)CC(=O)N1)P(=O)([O-])OC(Cc4ccccc4)C(=O)OC","InChI=1S/C29H33N2O7P/c1-18(2)27-28(33)31-26(39(35,36)38-24(29(34)37-3)15-19-8-5-4-6-9-19)16-20-12-13-21-10-7-11-22(23(21)14-20)17-25(32)30-27/h4-14,18,24,26-27H,15-17H2,1-3H3,(H,30,32)(H,31,33)(H,35,36)/p-1/t24-,26+,27-/m0/s1","","1999-07-08","2011-06-04","(1S)-1-benzyl-2-methoxy-2-oxoethyl [(4S,7R)-4-(1-methylethyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-9,11-etheno-3,6-benzodiazacyclododecin-7-yl]phosphonate",""],["3LX","tridecanethial","C13 H26 S","S=CCCCCCCCCCCCC;CCCCCCCCCCCCC=S;CCCCCCCCCCCCC=S","InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3","","2014-09-20","2024-09-27","tridecanethial","2015-03-11"],["PP7","METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE","C30 H47 N4 O9 P","O=C(NC(C(=O)NC2C(=O)NC(CC(C)C)P(=O)(O)OC(C(=O)OC)Cc1cc(ccc1)CNC(=O)C2)C(C)C)CC(C)C;COC(=O)[CH]1Cc2cccc(CNC(=O)C[CH](NC(=O)[CH](NC(=O)CC(C)C)C(C)C)C(=O)N[CH](CC(C)C)[P](O)(=O)O1)c2;CC(C)CC1NC(=O)C(CC(=O)NCc2cccc(c2)CC(OP1(=O)O)C(=O)OC)NC(=O)C(C(C)C)NC(=O)CC(C)C","InChI=1S/C30H47N4O9P/c1-17(2)11-25(36)33-27(19(5)6)29(38)32-22-15-24(35)31-16-21-10-8-9-20(13-21)14-23(30(39)42-7)43-44(40,41)26(12-18(3)4)34-28(22)37/h8-10,13,17-19,22-23,26-27H,11-12,14-16H2,1-7H3,(H,31,35)(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t22-,23-,26+,27-/m0/s1","","1999-08-23","2011-06-04","methyl (6S,9R,10R,12S)-10-hydroxy-6-{[N-(3-methylbutanoyl)-L-valyl]amino}-9-(2-methylpropyl)-4,7-dioxo-11-oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadeca-1(18),14,16-triene-12-carboxylate 10-oxide",""],["3LY","[(~{Z},2~{R},3~{S})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate","C39 H80 N2 O6 P","C[N+](C)(C)CCOP(O)(=O)OCC(NC(=O)CCCCCCCCCCCCCCC)C(O)/C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO[P](O)(=O)OCC[N+](C)(C)C)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30-/t37-,38+/m1/s1","","2021-07-06","2023-09-15","(4S,7R)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphatetracosan-1-aminium","2023-09-20"],["PP8","2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER","C29 H47 N4 O9 P","O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)CC(=O)N)C(C)C)CC(C)C;COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](CC(N)=O)NC(=O)[CH](NC(=O)CC(C)C)C(C)C;CC(C)CC(NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)CC(C)C)P(=O)(O)OC(Cc1ccccc1)C(=O)OC","InChI=1S/C29H47N4O9P/c1-17(2)13-24(35)32-26(19(5)6)28(37)31-21(16-23(30)34)27(36)33-25(14-18(3)4)43(39,40)42-22(29(38)41-7)15-20-11-9-8-10-12-20/h8-12,17-19,21-22,25-26H,13-16H2,1-7H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)(H,39,40)/t21-,22-,25+,26-/m0/s1","","1999-07-08","2011-06-04","N-(3-methylbutanoyl)-L-valyl-N~1~-{(1R)-1-[(S)-[(1S)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-aspartamide",""],["3LZ","1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea","C19 H19 N5 O2 S","O=C(NC)Nc3ncc(Sc1ncccc1)cc3Oc2cccnc2CC;CCc1ncccc1Oc2cc(Sc3ccccn3)cnc2NC(=O)NC;CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3","InChI=1S/C19H19N5O2S/c1-3-14-15(7-6-10-21-14)26-16-11-13(27-17-8-4-5-9-22-17)12-23-18(16)24-19(25)20-2/h4-12H,3H2,1-2H3,(H2,20,23,24,25)","","2014-09-22","2014-10-03","1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea","2014-10-08"],["3M0","2-azanyl-3-methyl-benzoic acid","C8 H9 N O2","O=C(O)c1cccc(c1N)C;Cc1cccc(C(O)=O)c1N;Cc1cccc(c1N)C(=O)O","InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)","3-methylanthranilate","2014-02-06","2020-06-17","2-amino-3-methylbenzoic acid","2014-04-23"],["P","2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE","C13 H18 N5 O7 P","O=C2c3ncn(c3N=C1NCCCN12)C4OC(C(O)C4)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4CCCNC4=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O","InChI=1S/C13H18N5O7P/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)20/h6-9,19H,1-5H2,(H,14,16)(H2,21,22,23)/t7-,8+,9+/m0/s1","","1999-07-08","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one",""],["PP9","PROTOPORPHYRIN IX","C34 H34 N4 O4","O=C(O)CCc5c2nc(cc4nc(cc1c(c(C=C)c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(C=C)=C4C)c5C;Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O;Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C","InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-","","1999-07-08","2011-06-04","3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",""],["3M1","(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone","C13 H8 F N O5","Fc2ccccc2C(=O)c1cc([N+]([O-])=O)c(O)c(O)c1;Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccccc2F;c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F","InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H","","2011-03-07","2011-08-19","(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone",""],["PPB","1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID","C23 H27 B N4 O4","O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](Cc3cccc(c3)C#N)B(O)O;B(C(Cc1cccc(c1)C#N)NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N)(O)O","InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1","(D)PHE-PRO-BOROPHE(M-CN)","1999-07-08","2024-09-27","D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide",""],["3M2","(5Z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4H-imidazol-4-one","C11 H9 Br2 N3 O2","O=C2N=C(N)N(C/2=C/c1cc(Br)c(O)c(Br)c1)C;CN1C(=NC(=O)C1=Cc2cc(Br)c(O)c(Br)c2)N;CN1C(=Cc2cc(c(c(c2)Br)O)Br)C(=O)N=C1N","InChI=1S/C11H9Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,17H,1H3,(H2,14,15,18)/b8-4-","","2011-03-07","2011-08-19","(5Z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4H-imidazol-4-one",""],["3M3","4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole","C14 H17 F N2 O","Fc2ccccc2OCCCc1c(nnc1C)C;Cc1[nH]nc(C)c1CCCOc2ccccc2F;Cc1c(c(n[nH]1)C)CCCOc2ccccc2F","InChI=1S/C14H17FN2O/c1-10-12(11(2)17-16-10)6-5-9-18-14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17)","","2011-03-07","2011-08-19","4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole",""],["PPC","1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose","C6 H15 O13 P3","O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)C[P](O)(O)=O;C(C1C(C(C(O1)OP(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1","5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE;\n1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribose;\n1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-D-ribose;\n1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-ribose","1999-07-08","2020-07-17","1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose",""],["3M4","4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine","C15 H13 N3 O2","n3ccc(c1nc(on1)c2ccccc2OCC)cc3;CCOc1ccccc1c2onc(n2)c3ccncc3;CCOc1ccccc1c2nc(no2)c3ccncc3","InChI=1S/C15H13N3O2/c1-2-19-13-6-4-3-5-12(13)15-17-14(18-20-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3","","2011-03-07","2011-08-19","4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine",""],["PPD","2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID","C12 H17 N2 O9 P","O=C(O)CC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CC(=O)O)C(=O)O)O","InChI=1S/C12H17N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3,9,14,17H,2,4-5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/t9-/m0/s1","PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE","1999-07-08","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-aspartic acid",""],["PPE","4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM","C13 H20 N2 O9 P","O=C(O)C(NCc1c(c[nH+]c(c1O)C)COP(=O)(O)O)CCC(=O)O;Cc1[nH+]cc(CO[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1O;Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CNC(CCC(=O)O)C(=O)O)O","InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/p+1/t10-/m0/s1","PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE","1999-07-08","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methyl)-L-glutamic acid",""],["3M5","3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide","C14 H23 N O4","O=C1OCCC1NC(=O)CC(=O)CCCCCCC;CCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O;CCCCCCCC(=O)CC(=O)NC1CCOC1=O","InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1","N-(3-Oxodecanoyl)-L-homoserine lactone","2014-09-22","2021-03-01","3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide","2015-02-25"],["PPF","PHOSPHONOFORMIC ACID","C H3 O5 P","O=C(O)P(=O)(O)O;OC(=O)[P](O)(O)=O;C(=O)(O)P(=O)(O)O","InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)","","2000-03-09","2011-06-04","dihydroxyphosphanecarboxylic acid oxide",""],["3M6","(2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid","C30 H30 F4 N4 O7 S","FC(F)(F)c1ccc(cc1)NC(=O)N(C)CC4Oc3c(NS(=O)(=O)c2ccc(F)cc2)cccc3C(=O)N(CC4C)C(C(=O)O)C;C[CH]1CN([CH](C)C(O)=O)C(=O)c2cccc(N[S](=O)(=O)c3ccc(F)cc3)c2O[CH]1CN(C)C(=O)Nc4ccc(cc4)C(F)(F)F;CC1CN(C(=O)c2cccc(c2OC1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)C(C)C(=O)O","InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1","","2014-09-19","2014-11-14","(2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid","2014-11-19"],["PPG","(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid","C14 H20 N3 O8 P","O=P(O)(O)OCc1cnc(c(O)c1C/N=C(C=COCCN)C(=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=COCCN)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=COCCN)C(=O)O)O","InChI=1S/C14H20N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h2,4,6,18H,3,5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,17-12+","","1999-07-08","2011-12-22","(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid",""],["3M7","tert-butyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-[(cyclopropanesulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C36 H46 Cl N5 O9 S","O=S(=O)(NC(=O)C12NC(=O)C3CC(Oc4ncc(OC)c5ccc(Cl)cc54)CN3C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)C1CC1;COc1cnc(O[CH]2C[CH]3N(C2)C(=O)[CH](CCCCCC=C[CH]4C[C]4(NC3=O)C(=O)N[S](=O)(=O)C5CC5)NC(=O)OC(C)(C)C)c6cc(Cl)ccc16;CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(=O)(=O)C6CC6","InChI=1S/C36H46ClN5O9S/c1-35(2,3)51-34(46)39-27-11-9-7-5-6-8-10-21-18-36(21,33(45)41-52(47,48)24-13-14-24)40-30(43)28-17-23(20-42(28)32(27)44)50-31-26-16-22(37)12-15-25(26)29(49-4)19-38-31/h8,10,12,15-16,19,21,23-24,27-28H,5-7,9,11,13-14,17-18,20H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b10-8-/t21-,23-,27+,28+,36-/m1/s1","","2014-09-22","2022-10-18","tert-butyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-[(cyclopropanesulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","2014-10-15"],["PPH","[(1R)-1-amino-2-phenylethyl]phosphonic acid","C8 H12 N O3 P","O=P(O)(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[P](O)(O)=O;c1ccc(cc1)CC(N)P(=O)(O)O","InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m1/s1","","1999-07-08","2024-09-27","[(1R)-1-amino-2-phenylethyl]phosphonic acid",""],["3M8","2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid","C9 H8 F N O4 S2","O=S(=O)(O)CCSc1cc(O)cc(F)c1C#N;Oc1cc(F)c(C#N)c(SCC[S](O)(=O)=O)c1;c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O","InChI=1S/C9H8FNO4S2/c10-8-3-6(12)4-9(7(8)5-11)16-1-2-17(13,14)15/h3-4,12H,1-2H2,(H,13,14,15)","","2014-09-22","2014-12-05","2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid","2014-12-10"],["3M9","4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide","C24 H22 F N5 O3","O=C(NO)CC(n1nncc1CNC(=O)c2ccc(F)cc2)Cc4cc3ccccc3cc4;ONC(=O)C[CH](Cc1ccc2ccccc2c1)n3nncc3CNC(=O)c4ccc(F)cc4;c1ccc2cc(ccc2c1)CC(CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F","InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-22-15-27-29-30(22)21(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,21,33H,12-14H2,(H,26,32)(H,28,31)/t21-/m1/s1","","2014-09-23","2015-09-25","4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide","2015-09-30"],["PPI","PROPANOIC ACID","C3 H6 O2","O=C(O)CC;CCC(O)=O;CCC(=O)O","InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)","","1999-07-08","2024-09-27","propanoic acid",""],["PPJ","N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)NORVALINE","C13 H19 N2 O8 P","O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CC(O)C;C[CH](O)C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC(C)O)C(=O)O)O","InChI=1S/C13H19N2O8P/c1-7(16)3-11(13(18)19)15-5-10-9(6-23-24(20,21)22)4-14-8(2)12(10)17/h4-5,7,11,16-17H,3,6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-5+/t7-,11-/m0/s1","","2000-09-26","2024-09-27","(E,4S)-4-hydroxy-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-norvaline",""],["3MA","6-AMINO-3-METHYLPURINE","C6 H8 N5","n2c[n+](c1c(ncn1)c2N)C;C[n+]1cnc(N)c2nc[nH]c12;C[n+]1cnc(c2c1[nH]cn2)N","InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1","","1999-10-08","2011-06-04","6-amino-3-methyl-9H-purin-3-ium",""],["3MB","3-METHOXYBENZAMIDE","C8 H9 N O2","O=C(c1cc(OC)ccc1)N;COc1cccc(c1)C(N)=O;COc1cccc(c1)C(=O)N","InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)","","1999-07-08","2011-06-04","3-methoxybenzamide",""],["PPK","(DIPHOSPHONO)AMINOPHOSPHONIC ACID","H6 N O9 P3","O=P(OP(=O)(O)O)(O)NP(=O)(O)O;O[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O;N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O","InChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)","","2003-05-14","2011-06-04","phosphonoamidodiphosphoric acid",""],["3MC","3-METHYLCYTOSINE","C5 H8 N3 O","O=C1[N+](=C(N)C=CN1)C;C[N+]1=C(N)C=CNC1=O;C[N+]1=C(C=CNC1=O)N","InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,6,7,9)/p+1","","1999-07-08","2011-06-04","6-amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium",""],["PPL","PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE","C10 H20 N2 O","O=C(NC(C)(C)C)C1NCCCC1;CC(C)(C)NC(=O)[CH]1CCCCN1;CC(C)(C)NC(=O)C1CCCCN1","InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1","","1999-07-08","2011-08-06","(2S)-N-tert-butylpiperidine-2-carboxamide",""],["PPM","PHOSPHONOMETHYL GROUP","C H5 O3 P","O=P(O)(O)C;C[P](O)(O)=O;CP(=O)(O)O","InChI=1/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)/f/h2-3H","","1999-07-08","2008-10-14","methylphosphonic acid",""],["3MD","2S,3S-3-METHYLASPARTIC ACID","C5 H9 N O4","O=C(O)C(C)C(N)C(=O)O;C[CH]([CH](N)C(O)=O)C(O)=O;CC(C(C(=O)O)N)C(=O)O","InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1/f/h7,9H","","2001-03-23","2009-09-09","(3S)-3-methyl-L-aspartic acid",""],["PPN","PARA-NITROPHENYLALANINE","C9 H10 N2 O4","[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O;N[CH](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O;c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1","","1999-07-08","2024-09-27","4-nitro-L-phenylalanine",""],["3ME","2'-O-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)","C16 H28 N3 O10 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)C(OCCOCCN(C)C)C2O;CN(C)CCOCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOCCN(C)C","InChI=1S/C16H28N3O10P/c1-10-8-19(16(22)17-14(10)21)15-13(27-7-6-26-5-4-18(2)3)12(20)11(29-15)9-28-30(23,24)25/h8,11-13,15,20H,4-7,9H2,1-3H3,(H,17,21,22)(H2,23,24,25)/t11-,12-,13-,15-/m1/s1","","2003-03-04","2011-10-27","2'-O-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)",""],["PPO","3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL","C5 H4 N4 O","n2c1c(N=NC1)c(nc2)O;Oc1ncnc2CN=Nc12;c1nc2c(c(n1)O)N=NC2","InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10)","","1999-10-15","2011-06-04","3H-pyrazolo[4,3-d]pyrimidin-7-ol",""],["3MF","3-O-METHYLFRUCTOSE IN LINEAR FORM","C7 H14 O6","O=C(C(OC)C(O)C(O)CO)CO;CO[CH]([CH](O)[CH](O)CO)C(=O)CO;COC(C(C(CO)O)O)C(=O)CO","InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1","","1999-07-08","2011-06-04","3-O-methyl-D-fructose",""],["PPP","3-PHENYL-1,2-PROPANDIOL","C9 H12 O2","OC(Cc1ccccc1)CO;OC[CH](O)Cc1ccccc1;c1ccc(cc1)CC(CO)O","InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1","","1999-07-08","2011-12-12","(2S)-3-phenylpropane-1,2-diol",""],["3MG","3-O-methyl-beta-D-glucopyranose","C7 H14 O6","O(C1C(O)C(OC(O)C1O)CO)C;CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;COC1C(C(OC(C1O)O)CO)O","InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1","3-O-methyl-beta-D-glucose; 3-O-methyl-D-glucose; 3-O-methyl-glucose","2007-08-22","2020-07-17","3-O-methyl-beta-D-glucopyranose",""],["PPQ","PHOSPHINOTHRICIN","C5 H12 N O4 P","O=P(O)(C)CCC(C(=O)O)N;C[P](O)(=O)CC[CH](N)C(O)=O;CP(=O)(CCC(C(=O)O)N)O","InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1","2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID","2000-09-27","2020-06-17","(2S)-2-amino-4-[(R)-hydroxy(methyl)phosphoryl]butanoic acid",""],["3MH","1-hydroxy-3-methylpyridine-2(1H)-thione","C6 H7 N O S","S=C1C(=CC=CN1O)C;CC1=CC=CN(O)C1=S;CC1=CC=CN(C1=S)O","InChI=1S/C6H7NOS/c1-5-3-2-4-7(8)6(5)9/h2-4,8H,1H3","","2014-04-29","2015-03-06","1-hydroxy-3-methylpyridine-2(1H)-thione","2015-03-11"],["PPR","PHOSPHONOPYRUVATE","C3 H5 O6 P","O=C(O)C(=O)CP(=O)(O)O;OC(=O)C(=O)C[P](O)(O)=O;C(C(=O)C(=O)O)P(=O)(O)O","InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)","","2001-11-14","2011-06-04","2-oxo-3-phosphonopropanoic acid",""],["3MI","2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid","C14 H7 Cl2 N O3","O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3;OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3;c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl","InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)","Tafamidis","2010-04-20","2020-06-17","2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid",""],["3MJ","1-(3,4,5-trihydroxyphenyl)dodecan-1-one","C18 H28 O4","O=C(c1cc(O)c(O)c(O)c1)CCCCCCCCCCC;CCCCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1;CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-9-10-11-15(19)14-12-16(20)18(22)17(21)13-14/h12-13,20-22H,2-11H2,1H3","","2014-09-24","2015-09-04","1-(3,4,5-trihydroxyphenyl)dodecan-1-one","2015-09-09"],["PPS","3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE","C10 H15 N5 O13 P2 S","O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[S](O)(=O)=O)[CH](O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N","InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(R)-hydroxy(sulfooxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)",""],["3MK","beta-L-altropyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6-/m0/s1","beta-L-altrose; L-altrose; altrose","2010-04-19","2020-07-17","beta-L-altropyranose","2020-07-29"],["PPT","3-(P-TOLYL)PROPIONIC ACID","C10 H12 O2","O=C(O)CCc1ccc(cc1)C;Cc1ccc(CCC(O)=O)cc1;Cc1ccc(cc1)CCC(=O)O","InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)","","1999-07-08","2011-06-04","3-(4-methylphenyl)propanoic acid",""],["PPU","PUROMYCIN-5'-MONOPHOSPHATE","C22 H30 N7 O8 P","O=P(O)(O)OCC4OC(n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3ccc(OC)cc3;COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(ncnc34)N(C)C)cc1;CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(Cc4ccc(cc4)OC)N)O","InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,10-11,14-16,18,22,30H,8-9,23H2,1-3H3,(H,27,31)(H2,32,33,34)/t14-,15+,16+,18+,22+/m0/s1","","2000-07-31","2011-06-04","3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine 5'-(dihydrogen phosphate)",""],["3ML","[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid","C7 H8 O4","O=C1OC(C(=C1)C)CC(=O)O;CC1=CC(=O)O[CH]1CC(O)=O;CC1=CC(=O)OC1CC(=O)O","InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/t5-/m0/s1","3-methylmuconolactone","2009-05-14","2021-03-01","[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid",""],["PPV","PYROPHOSPHATE","H4 O7 P2","O=P(O)(O)OP(=O)(O)O;O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)O","InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)","","2004-11-10","2011-06-04","diphosphoric acid",""],["3MM","(1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(METHYLSULFANYL)PROPAN-1-AMINIUM","C8 H18 N O2 S","O=C(O)C([N+](C)(C)C)CCSC;CSCC[CH](C(O)=O)[N+](C)(C)C;C[N+](C)(C)C(CCSC)C(=O)O","InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1","N,N,N-TRIMETHYL-L-METHIONINE","2008-03-17","2021-03-13","(1R)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium",""],["PPW","7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C1c2cnn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(ncc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1c2c(n(n1)C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-8-4(9(17)14-10)2-12-15(8)7-1-5(16)6(22-7)3-21-23(18,19)20/h2,5-7,16H,1,3H2,(H2,18,19,20)(H3,11,13,14,17)/t5-,6+,7+/m0/s1","","2005-03-07","2011-06-04","6-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",""],["3MN","3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN-1-YL}METHYL)BENZONITRILE","C28 H25 N5 O2","N#Cc1cc(ccc1)CN4C(=O)N(C(=O)C4(c3c2ccccc2ccc3)C)CCCn5ccnc5;C[C]1(N(Cc2cccc(c2)C#N)C(=O)N(CCCn3ccnc3)C1=O)c4cccc5ccccc45;CC1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5","InChI=1S/C28H25N5O2/c1-28(25-12-5-10-23-9-2-3-11-24(23)25)26(34)32(15-6-14-31-16-13-30-20-31)27(35)33(28)19-22-8-4-7-21(17-22)18-29/h2-5,7-13,16-17,20H,6,14-15,19H2,1H3/t28-/m1/s1","","2005-11-30","2011-06-04","3-({(5R)-3-[3-(1H-imidazol-1-yl)propyl]-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile",""],["PPX","[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE","C21 H27 N5 O2","O=C(NCCNc1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCCNc3ccncc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCCNc3ccncc3)N","InChI=1S/C21H27N5O2/c22-18(15-16-5-2-1-3-6-16)21(28)26-14-4-7-19(26)20(27)25-13-12-24-17-8-10-23-11-9-17/h1-3,5-6,8-11,18-19H,4,7,12-15,22H2,(H,23,24)(H,25,27)/t18-,19+/m1/s1","","1999-07-08","2011-06-04","D-phenylalanyl-N-[2-(pyridin-4-ylamino)ethyl]-L-prolinamide",""],["3MO","3-METHYL-1,3-OXAZOLIDIN-2-ONE","C4 H7 N O2","O=C1OCCN1C;CN1CCOC1=O;CN1CCOC1=O","InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3","3-METHYL-2-OXAZOLIDINONE","2006-07-21","2020-06-17","3-methyl-1,3-oxazolidin-2-one",""],["PPY","3-PHENYLPYRUVIC ACID","C9 H8 O3","O=C(C(=O)O)Cc1ccccc1;OC(=O)C(=O)Cc1ccccc1;c1ccc(cc1)CC(=O)C(=O)O","InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)","","1999-07-08","2011-06-04","2-oxo-3-phenylpropanoic acid",""],["3MP","3-METHYLPYRIDINE","C6 H7 N","n1cccc(c1)C;Cc1cccnc1;Cc1cccnc1","InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3","","1999-07-08","2011-06-04","3-methylpyridine",""],["PPZ","2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL","C11 H11 N5 O","OCCNc3ncnc2c3nc1ccccn12;OCCNc1ncnc2n3ccccc3nc12;c1ccn2c(c1)nc3c2ncnc3NCCO","InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14)","","2001-03-06","2011-06-04","2-(pyrido[1,2-e]purin-4-ylamino)ethanol",""],["3MQ","(5-thiophen-2-ylisoxazol-3-yl)methanol","C8 H7 N O2 S","n2oc(c1sccc1)cc2CO;OCc1cc(on1)c2sccc2;c1cc(sc1)c2cc(no2)CO","InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2","","2010-04-28","2011-06-04","[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methanol",""],["PQ0","2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE","C7 H5 N5 O","N#Cc1cnc2N=C(NC(=O)c12)N;NC1=Nc2[nH]cc(C#N)c2C(=O)N1;c1c(c2c([nH]1)N=C(NC2=O)N)C#N","InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)","7-DEAZA-7-CYANO-GUANINE","2002-01-22","2020-06-17","2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["3MR","(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE","C31 H42 N4 O2","O=C(N(C)C1CCCCC1)CCC(N4C(=Nc3ccc(Oc2ccccc2)cc3C4)N)C5CCCCC5;CN(C1CCCCC1)C(=O)CC[CH](C2CCCCC2)N3Cc4cc(Oc5ccccc5)ccc4N=C3N;CN(C1CCCCC1)C(=O)CCC(C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5","InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1","","2007-05-31","2011-06-04","(4S)-4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide",""],["3MS","N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7\n-yl}methanesulfonamide","C20 H23 N5 O6 S2","O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C4=C(O)c3cccn3N(C4=O)CCC(C)C)C;CC(C)CCN1n2cccc2C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O;CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C","InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23)","N-{3-[4-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo\n[1,2,4]thiadiazin-7-yl}-methanesulfonamide","2008-04-01","2020-06-17","N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["PQ1","PHOSPHORIC ACID MONO-[5-(2-AMINO-5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER","C12 H18 N5 O8 P","O=C1c2c(N=C(N)N1)n(cc2CN)C3OC(C(O)C3O)COP(=O)(O)O;NCc1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN","InChI=1S/C12H18N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,1,3,13H2,(H2,21,22,23)(H3,14,15,16,20)/t5-,7-,8-,11-/m1/s1","","2003-08-05","2011-06-04","2-amino-5-(aminomethyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["PQ2","3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1\n2,18-tetrayl]tetrapropanoic acid","C42 H48 N4 O16","N3=C4C=C5C(C(C(=Cc1nc(c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C(C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N5)(C)CC(O)=O)CCC(O)=O;C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=CC3=NC(=Cc4[nH]c(Cc5[nH]c(C=C1N2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[CH](CCC(O)=O)[C]3(C)CC(O)=O;CC1(C(C2=CC3=NC(=Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C=C1N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23?,24?,41-,42-/m0/s1","Precorrin-2","2019-06-20","2020-06-17","3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid","2020-03-04"],["3MT","3-METHYLTHIAZOLIUM ION","C4 H6 N S","s1cc[n+](c1)C;C[n+]1cscc1;C[n+]1ccsc1","InChI=1S/C4H6NS/c1-5-2-3-6-4-5/h2-4H,1H3/q+1","","1999-07-08","2011-06-04","3-methyl-1,3-thiazol-3-ium",""],["PQ3","N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide","C34 H26 N6 O2","C[n+]1cc(cc2ccccc21)NC(=O)c1nc2c(cc1)ccc1ccc(nc12)C(=O)Nc1cc2ccccc2[n+](C)c1;C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5cc6ccccc6[n+](C)c5)cc7ccccc17;C[n+]1cc(cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)Nc6cc7ccccc7[n+](c6)C","InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2","Phen-DC3","2013-11-13","2024-05-08","3,3'-[1,10-phenanthroline-2,9-diylbis(carbonylazanediyl)]bis(1-methylquinolin-1-ium)","2014-01-22"],["3MU","3-methyluridine 5'-(dihydrogen phosphate)","C10 H15 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O;CN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1","","2011-01-18","2011-12-06","3-methyluridine 5'-(dihydrogen phosphate)",""],["PQ4","(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid","C9 H9 N O3","NC(=C/c1ccc(O)cc1)C(O)=O;NC(=Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1C=C(C(=O)O)N)O","InChI=1S/C9H9NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,10H2,(H,12,13)/b8-5-","","2019-08-16","2024-09-27","(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid","2020-04-22"],["3MV","(3R,5R)-3-ethyl-2,5-dimethylheptane","C11 H24","CCC(CC(CC)C)C(C)C;CC[CH](C)C[CH](CC)C(C)C;CCC(C)CC(CC)C(C)C","InChI=1S/C11H24/c1-6-10(5)8-11(7-2)9(3)4/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1","","2014-09-24","2015-05-08","(3R,5R)-3-ethyl-2,5-dimethylheptane","2015-05-13"],["PQ5","7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid","C17 H16 N4 O4","OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3;c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O","InChI=1S/C17H16N4O4/c22-17(23)12-2-1-11-9-14(12)25-8-7-24-6-4-18-15-3-5-21-16(20-15)13(11)10-19-21/h1-3,5,9-10H,4,6-8H2,(H,18,20)(H,22,23)","","2020-04-27","2020-05-29","","2020-06-03"],["3MW","4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide","C18 H17 N5 O3","O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)c3ccc(N)cc3;Nc1ccc(cc1)C(=O)N[CH](C(=O)NO)c2ccc(cc2)n3cccn3;c1cnn(c1)c2ccc(cc2)C(C(=O)NO)NC(=O)c3ccc(cc3)N","InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)/t16-/m1/s1","","2014-09-24","2014-10-24","4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide","2014-10-29"],["3MX","1-(3,4,5-trihydroxyphenyl)decan-1-one","C16 H24 O4","O=C(c1cc(O)c(O)c(O)c1)CCCCCCCCC;CCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1;CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)12-10-14(18)16(20)15(19)11-12/h10-11,18-20H,2-9H2,1H3","","2014-09-25","2015-09-04","1-(3,4,5-trihydroxyphenyl)decan-1-one","2015-09-09"],["PQ6","(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C20 H18 Cl N3 O2","Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21;NC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN","InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1","","2023-08-18","2023-11-03","(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["PQ7","4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium","C34 H42 N4","C([n+]1ccc(cc1)N(C)C)c5ccc(CCCCc4ccc(C[n+]2ccc(cc2)N3CCCC3)cc4)cc5;CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(cc4)N5CCCC5)cc3)cc2)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5","InChI=1S/C34H42N4/c1-35(2)33-17-23-36(24-18-33)27-31-13-9-29(10-14-31)7-3-4-8-30-11-15-32(16-12-30)28-37-25-19-34(20-26-37)38-21-5-6-22-38/h9-20,23-26H,3-8,21-22,27-28H2,1-2H3/q+2","","2016-02-01","2016-09-16","4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium","2016-09-21"],["3MY","3-chloro-D-tyrosine","C9 H10 Cl N O3","Clc1cc(ccc1O)CC(C(=O)O)N;N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)Cl)O","InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1","","2009-03-27","2024-09-27","3-chloro-D-tyrosine",""],["PQ8","4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid","C22 H26 N4 O7","CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1;CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O","InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30)","","2020-04-27","2020-06-26","4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid","2020-07-01"],["3MZ","1-(2,3,4-trihydroxyphenyl)nonan-1-one","C15 H22 O4","O=C(c1c(O)c(O)c(O)cc1)CCCCCCCC;CCCCCCCCC(=O)c1ccc(O)c(O)c1O;CCCCCCCCC(=O)c1ccc(c(c1O)O)O","InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-10-13(17)15(19)14(11)18/h9-10,17-19H,2-8H2,1H3","","2014-09-24","2015-09-04","1-(2,3,4-trihydroxyphenyl)nonan-1-one","2015-09-09"],["PQ9","5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE","C43 H64 O2","O=C1C(=CC(=O)C(=C1C)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)C(=C(C)C1=O)C;CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C","InChI=1S/C43H64O2/c1-32(2)17-11-18-33(3)19-12-20-34(4)21-13-22-35(5)23-14-24-36(6)25-15-26-37(7)27-16-28-38(8)29-30-41-31-42(44)39(9)40(10)43(41)45/h17,19,21,23,25,27,29,31H,11-16,18,20,22,24,26,28,30H2,1-10H3/b33-19+,34-21+,35-23+,36-25+,37-27+,38-29+","","2004-02-05","2012-01-05","5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione",""],["3N0","1-(3,4,5-trihydroxyphenyl)hexan-1-one","C12 H16 O4","O=C(c1cc(O)c(O)c(O)c1)CCCCC;CCCCCC(=O)c1cc(O)c(O)c(O)c1;CCCCCC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C12H16O4/c1-2-3-4-5-9(13)8-6-10(14)12(16)11(15)7-8/h6-7,14-16H,2-5H2,1H3","","2014-09-25","2015-09-04","1-(3,4,5-trihydroxyphenyl)hexan-1-one","2015-09-09"],["PQA","[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE","C21 H21 F N4 O2","Fc1ccc(cc1)n2ncc(c2N)C(=O)c4cc(OC3CCNCC3)ccc4;Nc1n(ncc1C(=O)c2cccc(OC3CCNCC3)c2)c4ccc(F)cc4;c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F","InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2","","2005-10-21","2011-06-04","[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone",""],["3N1","(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid","C11 H9 Cl O2 S","O=C(O)Cc2sc1ccc(Cl)cc1c2C;Cc1c(CC(O)=O)sc2ccc(Cl)cc12;Cc1c2cc(ccc2sc1CC(=O)O)Cl","InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)","","2010-05-19","2011-06-04","(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid",""],["PQB","[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE","C19 H18 F N3 O4","Fc3ccc(n1ncc(c1N)C(=O)c2cccc(OCC(O)CO)c2)cc3;Nc1n(ncc1C(=O)c2cccc(OC[CH](O)CO)c2)c3ccc(F)cc3;c1cc(cc(c1)OCC(CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F","InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1","","2005-10-24","2011-06-04","[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2S)-2,3-dihydroxypropyl]oxy}phenyl)methanone",""],["3N2","(5-chloro-1-benzothiophen-3-yl)acetic acid","C10 H7 Cl O2 S","O=C(O)Cc1c2cc(Cl)ccc2sc1;OC(=O)Cc1csc2ccc(Cl)cc12;c1cc2c(cc1Cl)c(cs2)CC(=O)O","InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)","","2010-05-19","2011-06-04","(5-chloro-1-benzothiophen-3-yl)acetic acid",""],["PQC","3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide","C22 H16 N4 O2 S2","O=S(=O)(N)c1cccc(c1)Nc2nc4c(cn2)ccc3sc(cc34)c5ccccc5;N[S](=O)(=O)c1cccc(Nc2ncc3ccc4sc(cc4c3n2)c5ccccc5)c1;c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N","InChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26)","","2011-05-26","2011-06-17","3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide",""],["3N3","(2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid","C17 H15 N O4","O=C(O)C2N(c1ccccc1C2)C(=O)OCc3ccccc3;OC(=O)[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)N2c3ccccc3CC2C(=O)O","InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1","","2010-05-25","2011-06-04","(2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid",""],["3N4","naphtho[2,1-b]thiophen-1-ylacetic acid","C14 H10 O2 S","O=C(O)Cc1c3c(sc1)ccc2ccccc23;OC(=O)Cc1csc2ccc3ccccc3c12;c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O","InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)","","2010-05-25","2011-06-04","naphtho[2,1-b]thiophen-1-ylacetic acid",""],["PQD","7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine","C17 H16 N6","c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N;Nc1cccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)c1;c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N","InChI=1S/C17H16N6/c18-11-3-1-2-10(8-11)9-23-7-6-12-14(23)5-4-13-15(12)16(19)22-17(20)21-13/h1-8H,9,18H2,(H4,19,20,21,22)","","2018-03-16","2019-01-04","7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine","2019-01-09"],["PQE","3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL","C29 H60 O8","O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC;CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO;CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO","InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3","ANAPOE-C12E8","2006-11-07","2020-06-17","3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol",""],["3N5","(2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid","C17 H15 N O4","O=C(O)C2N(c1ccccc1C2)C(=O)OCc3ccccc3;OC(=O)[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)N2c3ccccc3CC2C(=O)O","InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1","","2010-05-26","2011-06-04","(2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid",""],["PQF","2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol","C30 H32 F N5 O2","CC(C)(O)c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1;Cn1nnc(C)c1c2cnc3c(c2)n([CH](C4CCOCC4)c5ccccc5)c6cc(c(F)cc36)C(C)(C)O;Cc1c(n(nn1)C)c2cc3c(c4cc(c(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)F)nc2","InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1","","2022-05-29","2022-08-12","2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol","2022-08-17"],["3N6","N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3\n(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide","C38 H47 Br2 N9 O5","O=C(N2CCN(c1ccncc1)CC2)C(NC(=O)C(NC(=O)N5CCC(N4C(=O)Nc3c(cccc3)C4)CC5)Cc6cc(Br)c(O)c(Br)c6)CCCCN;NCCCC[CH](NC(=O)[CH](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N2CC[CH](CC2)N3Cc4ccccc4NC3=O)C(=O)N5CCN(CC5)c6ccncc6;c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)NC(Cc4cc(c(c(c4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)c6ccncc6","InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1","Olcegepant","2010-06-07","2020-06-17","N-{(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide",""],["3N7","N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine","C18 H18 N8","n1c(nc(cc1Nc2nnc(c2)C3CC3)C)Nc5cc4cnnc4cc5;Cc1cc(Nc2cc([nH]n2)C3CC3)nc(Nc4ccc5[nH]ncc5c4)n1;Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5","InChI=1S/C18H18N8/c1-10-6-16(22-17-8-15(25-26-17)11-2-3-11)23-18(20-10)21-13-4-5-14-12(7-13)9-19-24-14/h4-9,11H,2-3H2,1H3,(H,19,24)(H3,20,21,22,23,25,26)","","2010-06-07","2011-06-04","N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-(1H-indazol-5-yl)-6-methylpyrimidine-2,4-diamine",""],["PQG","cis-1-amino-4-phenylcyclohexane-1-carboxylic acid","C13 H17 N O2","c1(ccccc1)C2CCC(N)(C(O)=O)CC2;N[C]1(CC[CH](CC1)c2ccccc2)C(O)=O;c1ccc(cc1)C2CCC(CC2)(C(=O)O)N","InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+","","2019-08-20","2024-09-27","cis-1-amino-4-phenylcyclohexane-1-carboxylic acid","2020-02-05"],["3N8","4-fluorobenzene-1,2-diol","C6 H5 F O2","Fc1cc(O)c(O)cc1;Oc1ccc(F)cc1O;c1cc(c(cc1F)O)O","InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H","","2014-09-25","2014-12-26","4-fluorobenzene-1,2-diol","2014-12-31"],["PQH","2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid","C7 H6 F3 N O2","Cc1[nH]c(cc1C(O)=O)C(F)(F)F;Cc1c(cc([nH]1)C(F)(F)F)C(=O)O","InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)","","2020-04-27","2020-05-01","2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid","2020-05-06"],["PQI","1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one","C23 H25 Cl N4 O2","CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45;CCC(=O)N1CCN2Cc3ccc(c(c3OCC2C1)Cl)c4c(ccc5c4c[nH]n5)C","InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1","","2022-10-04","2024-09-27","1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one","2023-07-12"],["3N9","(6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one","C6 H5 F O4","FC1=CC(O)(OO)C(=O)C=C1;OO[C]1(O)C=C(F)C=CC1=O;C1=CC(=O)C(C=C1F)(O)OO","InChI=1S/C6H5FO4/c7-4-1-2-5(8)6(9,3-4)11-10/h1-3,9-10H/t6-/m0/s1","","2014-09-25","2014-12-26","(6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one","2014-12-31"],["3NA","{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID","C18 H11 F3 N2 O2 S","O=C(O)Cn2c1ccccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3;OC(=O)Cn1cc(Cc2sc3c(F)cc(F)c(F)c3n2)c4ccccc14;c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F","InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)","3-[(4,5,7-TRIFLUOROBENZOTHIAZOL-2-YL)METHYL]INDOLE-N-ACETIC ACID","2005-03-17","2021-03-13","{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid",""],["PQJ","fos-choline-14","C19 H43 N O4 P","CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C;CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C","InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)","tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate","2019-08-21","2020-06-17","tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate","2020-03-25"],["PQK","1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid","C10 H13 N O2","Cc1cc(C(O)=O)c(C)n1C2CC2;Cc1cc(c(n1C2CC2)C)C(=O)O","InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)","","2020-04-27","2020-05-01","1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid","2020-05-06"],["3NB","1-(3,4,5-trihydroxyphenyl)octan-1-one","C14 H20 O4","O=C(c1cc(O)c(O)c(O)c1)CCCCCCC;CCCCCCCC(=O)c1cc(O)c(O)c(O)c1;CCCCCCCC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C14H20O4/c1-2-3-4-5-6-7-11(15)10-8-12(16)14(18)13(17)9-10/h8-9,16-18H,2-7H2,1H3","","2014-09-26","2015-09-04","1-(3,4,5-trihydroxyphenyl)octan-1-one","2015-09-09"],["PQL","(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide","C22 H30 F3 N5 O4 S2","CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2;CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F","InChI=1S/C22H30F3N5O4S2/c1-20(2,3)15(29-19(34)22(23,24)25)18(33)30-11-21(35-6-7-36-21)9-14(30)17(32)28-13(10-26)8-12-4-5-27-16(12)31/h12-15H,4-9,11H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t12-,13-,14-,15+/m0/s1","","2023-03-06","2023-10-13","(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide","2023-10-18"],["3NC","cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide","C16 H18 Cl N3 O2","O=C(Nc2c(Cl)cc1c(C=CNC1=O)c2)C3CCC(N)CC3;N[CH]1CC[CH](CC1)C(=O)Nc2cc3C=CNC(=O)c3cc2Cl;c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2","InChI=1S/C16H18ClN3O2/c17-13-8-12-10(5-6-19-16(12)22)7-14(13)20-15(21)9-1-3-11(18)4-2-9/h5-9,11H,1-4,18H2,(H,19,22)(H,20,21)/t9-,11+","","2010-06-08","2011-06-04","cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide",""],["PQM","4-(pyridin-3-yl)benzoic acid","C12 H9 N O2","c1cc(cnc1)c2ccc(cc2)C(O)=O;OC(=O)c1ccc(cc1)c2cccnc2;c1cc(cnc1)c2ccc(cc2)C(=O)O","InChI=1S/C12H9NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-8H,(H,14,15)","","2019-08-21","2020-02-14","4-(pyridin-3-yl)benzoic acid","2020-02-19"],["3ND","(3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide","C20 H17 Cl2 N3 O2","O=C(Nc2cc1c(C(=O)N=CC1)cc2Cl)C4C(c3ccc(Cl)cc3)CNC4;Clc1ccc(cc1)[CH]2CNC[CH]2C(=O)Nc3cc4CC=NC(=O)c4cc3Cl;c1cc(ccc1C2CNCC2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl","InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-4,6-8,15-16,23H,5,9-10H2,(H,25,27)/t15-,16+/m0/s1","","2010-06-08","2011-06-04","(3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide",""],["PQN","PHYLLOQUINONE","C31 H46 O2","O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1","VITAMIN K1; 2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE","1999-07-08","2020-06-17","2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione",""],["3NE","4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one","C14 H7 F6 N3 O","FC(F)(F)c3cccc(c2nnc1NC(=O)C=C(c12)C(F)(F)F)c3;FC(F)(F)c1cccc(c1)c2n[nH]c3NC(=O)C=C(c23)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F","InChI=1S/C14H7F6N3O/c15-13(16,17)7-3-1-2-6(4-7)11-10-8(14(18,19)20)5-9(24)21-12(10)23-22-11/h1-5H,(H2,21,22,23,24)","","2010-06-10","2011-06-04","4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one",""],["PQO","6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide","C6 H5 Br N2 O3","OC1=C(NC(Br)=CC1=O)C(N)=O;NC(=O)C1=C(O)C(=O)C=C(Br)N1;C1=C(NC(=C(C1=O)O)C(=O)N)Br","InChI=1S/C6H5BrN2O3/c7-3-1-2(10)5(11)4(9-3)6(8)12/h1,11H,(H2,8,12)(H,9,10)","","2022-05-29","2022-12-16","6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide","2022-12-21"],["3NF","N-acetyl-L-tyrosine","C11 H13 N O4","O=C(O)C(NC(=O)C)Cc1ccc(O)cc1;CC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O;CC(=O)NC(Cc1ccc(cc1)O)C(=O)O","InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1","","2010-06-11","2011-06-04","N-acetyl-L-tyrosine",""],["3NG","5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid","C19 H12 Cl N3 O2","O=C(O)c3cc2nc(c1ccncc1c2cc3)Nc4cccc(Cl)c4;OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24;c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O","InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)","","2010-06-16","2011-06-04","5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid",""],["PQP","4-(1H-imidazol-1-yl)benzoic acid","C10 H8 N2 O2","c1cn(cn1)c2ccc(C(O)=O)cc2;OC(=O)c1ccc(cc1)n2ccnc2;c1cc(ccc1C(=O)O)n2ccnc2","InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)","","2019-08-21","2020-08-21","4-(1H-imidazol-1-yl)benzoic acid","2020-08-26"],["PQQ","PYRROLOQUINOLINE QUINONE","C14 H6 N2 O8","O=C(O)c1c3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc23;OC(=O)c1[nH]c2c(c1)C(=O)C(=O)c3nc(cc(C(O)=O)c23)C(O)=O;c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O","InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)","","1999-07-08","2011-06-04","4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid",""],["3NH","(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE","C36 H43 N3 O7","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC5(C(=O)C(C4c3ccccc3CC4OC(O)N)CN5)Cc6ccccc6;N[CH](O)O[CH]1Cc2ccccc2[CH]1[CH]3CN[C](C[CH](O)[CH](Cc4ccccc4)NC(=O)O[CH]5CCOC5)(Cc6ccccc6)C3=O;c1ccc(cc1)CC(C(CC2(C(=O)C(CN2)C3c4ccccc4CC3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6","InChI=1S/C36H43N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,26,28-32,34,38,40,42H,15-22,37H2,(H,39,43)/t26-,28-,29-,30-,31+,32+,34-,36-/m0/s1","","2003-04-29","2011-06-04","(3S)-tetrahydrofuran-3-yl {(1S,2S)-3-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropyl}carbamate",""],["PQR","4-[methyl(nitroso)amino]benzene-1,2-diol","C7 H8 N2 O3","O=NN(c1cc(O)c(O)cc1)C;CN(N=O)c1ccc(O)c(O)c1;CN(c1ccc(c(c1)O)O)N=O","InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3","Methyl-3,4-dephostatin","2012-01-03","2024-09-27","4-[methyl(nitroso)amino]benzene-1,2-diol",""],["3NI","NICKEL (III) ION","Ni","[Ni+3];[Ni+3];[Ni+3]","InChI=1S/Ni/q+3","","2003-07-22","2011-06-04","nickel(3+)",""],["3NJ","4-fluorooxepine-2,7-dione","C6 H3 F O3","FC=1C=CC(=O)OC(=O)C=1;FC1=CC(=O)OC(=O)C=C1;C1=CC(=O)OC(=O)C=C1F","InChI=1S/C6H3FO3/c7-4-1-2-5(8)10-6(9)3-4/h1-3H","","2014-09-26","2014-12-26","4-fluorooxepine-2,7-dione","2014-12-31"],["PQS","4-(pyridin-2-yl)benzoic acid","C12 H9 N O2","c2(ccc(c1ccccn1)cc2)C(O)=O;OC(=O)c1ccc(cc1)c2ccccn2;c1ccnc(c1)c2ccc(cc2)C(=O)O","InChI=1S/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)","","2019-08-22","2020-02-14","4-(pyridin-2-yl)benzoic acid","2020-02-19"],["PQT","(3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid","C11 H12 Cl N O2","OC(=O)[CH]1CCN(C1)c2ccccc2Cl;c1ccc(c(c1)N2CCC(C2)C(=O)O)Cl","InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1","","2020-04-27","2020-05-08","(3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid","2020-05-13"],["3NK","1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE","C15 H14 O3","COc1ccc2cc(ccc2c1)C(=O)CC(C)=O;CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC","InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3","","2011-09-23","2024-09-27","1-(6-methoxynaphthalen-2-yl)butane-1,3-dione","2012-11-02"],["3NL","3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide","C24 H23 Cl N8 O2","Clc1ccccc1NC(=O)Nc2cn(nc2)c3cccc(c3)C(=O)Nc4cn(nc4)C5CNCC5;Clc1ccccc1NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[CH]5CCNC5;c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)C5CCNC5)Cl","InChI=1S/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35)/t20-/m0/s1","","2014-09-26","2014-11-21","3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide","2014-11-26"],["PQU","(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione","C21 H17 N3 O4","CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1;C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3;CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4","InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1","","2021-12-22","2023-01-13","(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione","2023-01-18"],["PQV","(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide","C10 H19 N3 O2","C1N(CCCCC1)CCNC(C=NO)=O;ON=CC(=O)NCCN1CCCCCC1;C1CCCN(CC1)CCNC(=O)C=NO","InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+","","2019-08-23","2020-02-07","(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide","2020-02-12"],["3NM","4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid","C7 H10 N O6 P S","O=P(O)(O)OCCc1sc(nc1C)C(=O)O;Cc1nc(sc1CCO[P](O)(O)=O)C(O)=O;Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O","InChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)","","2010-07-13","2011-06-04","4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid",""],["PQW","N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide","C27 H27 N5 O2 S2","N(/c4ccc(OCC3NCC(Oc2cccc(NC(=[N@H])c1sccc1)c2)C3)cc4)=C(N)c5sccc5;NC(=Nc1ccc(OC[CH]2C[CH](CN2)Oc3cccc(NC(=N)c4sccc4)c3)cc1)c5sccc5;c1cc(cc(c1)OC2CC(NC2)COc3ccc(cc3)N=C(c4cccs4)N)NC(=N)c5cccs5","InChI=1S/C27H27N5O2S2/c28-26(24-6-2-12-35-24)31-18-8-10-21(11-9-18)33-17-20-15-23(16-30-20)34-22-5-1-4-19(14-22)32-27(29)25-7-3-13-36-25/h1-14,20,23,30H,15-17H2,(H2,28,31)(H2,29,32)/t20-,23+/m0/s1","","2014-06-18","2014-08-15","N-[3-({(3R,5S)-5-[(4-{(E)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)methyl]pyrrolidin-3-yl}oxy)phenyl]thiophene-2-carboximidamide","2014-08-20"],["3NP","3-NITROPROPANOIC ACID","C3 H5 N O4","[O-][N+](=O)CCC(=O)O;OC(=O)CC[N+]([O-])=O;C(C[N+](=O)[O-])C(=O)O","InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)","","2005-02-09","2024-09-27","3-nitropropanoic acid",""],["PQX","1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid","C18 H21 N O2","C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23;CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O","InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1","","2023-03-07","2024-09-27","1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid","2024-01-03"],["3NQ","6-oxime-17-(3-pyridyl)-androst-16-en-3-ol","C24 H32 N2 O2","ON=C3/CC5C2C(C(c1cccnc1)=CC2)(C)CCC5C4(C)CCC(O)CC34;C[C]12CC[CH](O)C[CH]1C(C[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5)=NO;CC12CCC(CC1C(=NO)CC3C2CCC4(C3CC=C4c5cccnc5)C)O","InChI=1S/C24H32N2O2/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(26-28)21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,27-28H,6-10,12-13H2,1-2H3/b26-22+/t16-,17-,19-,20-,21+,23+,24+/m0/s1","","2014-09-26","2018-06-01","(3alpha,5alpha,6E,8alpha)-6-(hydroxyimino)-17-(pyridin-3-yl)androst-16-en-3-ol","2018-06-06"],["PQY","(2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]","C13 H24 N6 O4","N1(CCNC(C=NO)=O)CCN(CCNC([C@H]=NO)=O)CCC1;ON=CC(=O)NCCN1CCCN(CCNC(=O)C=NO)CC1;C1CN(CCN(C1)CCNC(=O)C=NO)CCNC(=O)C=NO","InChI=1S/C13H24N6O4/c20-12(10-16-22)14-2-6-18-4-1-5-19(9-8-18)7-3-15-13(21)11-17-23/h10-11,22-23H,1-9H2,(H,14,20)(H,15,21)/b16-10+,17-11+","","2019-08-23","2020-02-07","(2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]","2020-02-12"],["3NR","6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol","C25 H30 N2 O","N#CC4=C1CC(O)CCC1(C)C5CCC3(C(c2cccnc2)=CCC3C5C4)C;C[C]12CC[CH](O)CC1=C(C[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5)C#N;CC12CCC(CC1=C(CC3C2CCC4(C3CC=C4c5cccnc5)C)C#N)O","InChI=1S/C25H30N2O/c1-24-10-8-22-19(21(24)6-5-20(24)16-4-3-11-27-15-16)12-17(14-26)23-13-18(28)7-9-25(22,23)2/h3-5,11,15,18-19,21-22,28H,6-10,12-13H2,1-2H3/t18-,19-,21-,22-,24+,25+/m0/s1","","2014-09-26","2018-06-01","(3alpha,8alpha)-3-hydroxy-17-(pyridin-3-yl)androsta-5,16-diene-6-carbonitrile","2018-06-06"],["PQZ","1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid","C11 H15 N O2","Cc1cc(C(O)=O)c(C)n1CC2CC2;Cc1cc(c(n1CC2CC2)C)C(=O)O","InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)","","2020-04-27","2020-05-01","1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid","2020-05-06"],["3NS","(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid","C21 H30 N4 O5","O=C(O)CC(NC(=O)C(C(C)C)CC(=O)NCCn1c2ccccc2nc1C)CO;CC(C)[CH](CC(=O)NCCn1c(C)nc2ccccc12)C(=O)N[CH](CO)CC(O)=O;Cc1nc2ccccc2n1CCNC(=O)CC(C(C)C)C(=O)NC(CC(=O)O)CO","InChI=1S/C21H30N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,13,15-16,26H,8-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1","","2010-07-06","2024-09-27","(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-4-oxo-2-(propan-2-yl)butanoyl]amino}butanoic acid",""],["3NT","3-NITROTOLUENE","C7 H7 N O2","O=[N+]([O-])c1cccc(c1)C;Cc1cccc(c1)[N+]([O-])=O;Cc1cccc(c1)[N+](=O)[O-]","InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3","","2005-03-15","2011-06-04","1-methyl-3-nitrobenzene",""],["PR","PRASEODYMIUM ION","Pr","[Pr+3];[Pr+3];[Pr+3]","InChI=1S/Pr/q+3","","2001-09-24","2011-06-04","praseodymium",""],["PR0","3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL","C10 H15 N O","OC(C(N)Cc1ccccc1)C;C[CH](O)[CH](N)Cc1ccccc1;CC(C(Cc1ccccc1)N)O","InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10+/m1/s1","","2001-02-26","2011-12-12","(2R,3S)-3-amino-4-phenylbutan-2-ol",""],["3NU","4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine","C16 H24 N6","n2c(c1cnnc1C(C)C)ccnc2NC3CCN(C)CC3;CC(C)c1n[nH]cc1c2ccnc(NC3CCN(C)CC3)n2;CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C","InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)","4-(3-isopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine","2010-07-09","2020-06-17","N-(1-methylpiperidin-4-yl)-4-[3-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine",""],["3NV","4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine","C19 H23 Cl N8","Clc4c(c1nc(ncc1)Nc3ncc(N2CCNCC2)cc3)c(nn4)C(C)C;CC(C)c1n[nH]c(Cl)c1c2ccnc(Nc3ccc(cn3)N4CCNCC4)n2;CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4","InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)","4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine","2010-07-09","2020-06-17","4-[5-chloro-3-(propan-2-yl)-1H-pyrazol-4-yl]-N-[5-(piperazin-1-yl)pyridin-2-yl]pyrimidin-2-amine",""],["PR1","4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE","C19 H19 N5 O4 S2","O=C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=O)c4sc3cccnc3c4;NC(=N)c1ccc(O)c(CN2CC[CH](N[S](=O)(=O)c3sc4cccnc4c3)C2=O)c1;c1cc2c(cc(s2)S(=O)(=O)NC3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1","InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1","RPR131247","2000-05-22","2020-06-17","4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide",""],["PR2","THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE","C19 H17 N5 O3 S2","O=C3N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccnc4c5;O=C1[CH](CCN1Cc2[nH]c3cnccc3c2)N[S](=O)(=O)c4sc5cccnc5c4;c1cc2c(cc(s2)S(=O)(=O)NC3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1","InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1","RPR208707","2000-05-22","2020-06-17","N-[(3S)-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide",""],["3NW","1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea","C24 H34 N8 O S","O=C(NCC)NCc1ccccc1c3nc(nc(c2sc(nc2)NC(C)C)c3)NCCN(C)C;CCNC(=O)NCc1ccccc1c2cc(nc(NCCN(C)C)n2)c3sc(NC(C)C)nc3;CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C","InChI=1S/C24H34N8OS/c1-6-25-23(33)27-14-17-9-7-8-10-18(17)19-13-20(21-15-28-24(34-21)29-16(2)3)31-22(30-19)26-11-12-32(4)5/h7-10,13,15-16H,6,11-12,14H2,1-5H3,(H,28,29)(H2,25,27,33)(H,26,30,31)","","2010-07-14","2011-06-04","1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl)benzyl]-3-ethylurea",""],["PR3","S,S-PROPYLTHIOCYSTEINE","C6 H13 N O S2","O=CC(N)CSSCCC;CCCSSC[CH](N)C=O;CCCSSCC(C=O)N","InChI=1S/C6H13NOS2/c1-2-3-9-10-5-6(7)4-8/h4,6H,2-3,5,7H2,1H3/t6-/m1/s1","","1999-07-08","2024-09-27","(2R)-2-amino-3-(propyldisulfanyl)propanal",""],["3NX","3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide","C25 H32 N2 O2","O=C(N)C4=C1CC(O)CCC1(C)C5CCC3(C(c2cccnc2)=CCC3C5C4)C;C[C]12CC[CH](O)CC1=C(C[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5)C(N)=O;CC12CCC(CC1=C(CC3C2CCC4(C3CC=C4c5cccnc5)C)C(=O)N)O","InChI=1S/C25H32N2O2/c1-24-10-8-21-17(20(24)6-5-19(24)15-4-3-11-27-14-15)13-18(23(26)29)22-12-16(28)7-9-25(21,22)2/h3-5,11,14,16-17,20-21,28H,6-10,12-13H2,1-2H3,(H2,26,29)/t16-,17-,20-,21-,24+,25+/m0/s1","","2014-09-26","2018-06-01","(3alpha,8alpha)-3-hydroxy-17-(pyridin-3-yl)androsta-5,16-diene-6-carboxamide","2018-06-06"],["3NY","5-nitro-1H-benzotriazole","C6 H4 N4 O2","[O-][N+](=O)c1cc2nnnc2cc1;[O-][N+](=O)c1ccc2[nH]nnc2c1;c1cc2c(cc1[N+](=O)[O-])nn[nH]2","InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)","","2010-07-19","2011-06-04","5-nitro-1H-benzotriazole",""],["PR4","1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline","C8 H13 N O5","O=C(O)C(O)CN1C(C(=O)O)CCC1;O[CH](CN1CCC[CH]1C(O)=O)C(O)=O;C1CC(N(C1)CC(C(=O)O)O)C(=O)O","InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6+/m0/s1","","2010-04-02","2024-09-27","1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline",""],["PR5","PURINE RIBOSIDE-5'-MONOPHOSPHATE","C10 H13 N4 O7 P","O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23;c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1/f/h17-18H","","2005-09-21","2009-07-27","9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine",""],["3NZ","3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine","C20 H25 N7 O5","O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)Cc4ccc(OC)cc4;COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(N)ncnc34)cc1;COc1ccc(cc1)CC(C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N)CO)N","InChI=1S/C20H25N7O5/c1-31-11-4-2-10(3-5-11)6-12(21)19(30)26-14-13(7-28)32-20(16(14)29)27-9-25-15-17(22)23-8-24-18(15)27/h2-5,8-9,12-14,16,20,28-29H,6-7,21H2,1H3,(H,26,30)(H2,22,23,24)/t12-,13+,14+,16+,20+/m0/s1","","2014-05-14","2014-05-23","3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine","2014-05-28"],["PR6","3-chloro-3-oxopropanoic acid","C3 H3 Cl O3","ClC(=O)CC(=O)O;OC(=O)CC(Cl)=O;C(C(=O)O)C(=O)Cl","InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)","","2010-05-13","2024-09-27","3-chloro-3-oxopropanoic acid",""],["3O0","{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone","C16 H11 Cl N4 O3 S","[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(Cl)cc3;Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c3cccc(c3)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N","InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)","","2010-07-20","2011-06-04","{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone",""],["PR7","1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline","C8 H13 N O5","O=C(O)C(O)CN1C(C(=O)O)CCC1;O[CH](CN1CCC[CH]1C(O)=O)C(O)=O;C1CC(N(C1)CC(C(=O)O)O)C(=O)O","InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1","","2010-06-07","2024-09-27","1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline",""],["3O1","tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate","C15 H24 N2 O5 S","O=S(=O)(N)c1ccc(OCCCCNC(=O)OC(C)(C)C)cc1;CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)[S](N)(=O)=O;CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N","InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)","tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate","2014-09-26","2021-03-01","tert-butyl [4-(4-sulfamoylphenoxy)butyl]carbamate","2015-04-15"],["PR8","5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine","C15 H21 N6 O8 P","O=P(OC(=O)C1NCCC1)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CCCN4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C4CCCN4)O)O)N","InChI=1S/C15H21N6O8P/c16-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(28-14)4-27-30(25,26)29-15(24)7-2-1-3-17-7/h5-8,10-11,14,17,22-23H,1-4H2,(H,25,26)(H2,16,18,19)/t7-,8+,10+,11+,14+/m0/s1","prolyl-adenylate","2009-07-16","2021-03-01","5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine",""],["3O2","N-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2H-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide","C26 H31 F3 N6 O7 S","O=C(NO)C1(CCN(CCOC)CC1)S(=O)(=O)c4ccc(OCCCn2nc(nn2)c3ccc(OC(F)(F)F)cc3)cc4;COCCN1CCC(CC1)(C(=O)NO)[S](=O)(=O)c2ccc(OCCCn3nnc(n3)c4ccc(OC(F)(F)F)cc4)cc2;COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F","InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)","","2010-07-27","2011-08-05","N-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2H-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide",""],["PR9","D-PROLINAMIDE","C5 H10 N2 O","O=C(N)C1NCCC1;NC(=O)[CH]1CCCN1;C1CC(NC1)C(=O)N","InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1","","2009-09-02","2024-09-27","D-prolinamide",""],["3O3","N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid","C9 H16 N2 O6","O=C(O)C(NCCC(N)C(=O)O)CCC(=O)O;N[CH](CCN[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NCCC(C(=O)O)N","InChI=1S/C9H16N2O6/c10-5(8(14)15)3-4-11-6(9(16)17)1-2-7(12)13/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1","","2010-08-02","2011-06-04","N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid",""],["PRA","3-PHENYLPROPYLAMINE","C9 H13 N","C(CCc1ccccc1)N;NCCCc1ccccc1;c1ccc(cc1)CCCN","InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2","","1999-07-08","2024-09-27","3-phenylpropan-1-amine",""],["3O4","N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide","C22 H23 N5 O2","O=C(Nc1ccc(cc1)c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)C;CC(=O)Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2;CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4","InChI=1S/C22H23N5O2/c1-16(28)24-18-4-2-17(3-5-18)21-10-11-23-22(26-21)25-19-6-8-20(9-7-19)27-12-14-29-15-13-27/h2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26)","","2012-09-21","2014-09-05","N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]acetamide","2012-11-16"],["PRB","13-ACETYLPHORBOL","C22 H30 O7","O=C1C(=CC2C3(O)C(C)C(O)C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C;C[CH]1[CH](O)[C]2(OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C=C(C)C4=O)[C]13O)C2(C)C;CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)O","InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1","","1999-07-08","2011-06-04","(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate",""],["3O5","4-(4-sulfamoyl-phenoxy)-butylammonium","C10 H16 N2 O3 S","O=S(=O)(N)c1ccc(OCCCCN)cc1;NCCCCOc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1OCCCCN)S(=O)(=O)N","InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14)","4-(4-aminobutoxy)benzenesulfonamide","2014-09-26","2021-03-01","4-(4-aminobutoxy)benzenesulfonamide","2015-04-15"],["PRC","N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE","C22 H18 N6 O","O=C(c1cccnc1)Nc2cc(c(cc2)C)Nc3nc(ccn3)c4cccnc4;Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cccnc4;Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4","InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28)","","2000-09-13","2011-06-04","N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}pyridine-3-carboxamide",""],["3O6","1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea","C18 H13 F5 N4 O","FC(F)(F)c2nn(c(c2c1ccc(F)cc1)NC(=O)Nc3ccc(F)cc3)C;Cn1nc(c(c1NC(=O)Nc2ccc(F)cc2)c3ccc(F)cc3)C(F)(F)F;Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F","InChI=1S/C18H13F5N4O/c1-27-16(25-17(28)24-13-8-6-12(20)7-9-13)14(15(26-27)18(21,22)23)10-2-4-11(19)5-3-10/h2-9H,1H3,(H2,24,25,28)","","2014-09-29","2016-04-29","1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea","2016-05-04"],["PRD","N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE","C17 H20 N6 O2","n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)ccc3OC)C;COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1;CN(Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N","InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)","","1999-07-08","2011-06-04","N~6~-(2,5-dimethoxybenzyl)-N~6~-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine",""],["3O7","1,4,5,8-tetrahydroxyanthracene-9,10-dione","C14 H8 O6","O=C2c1c(c(O)ccc1O)C(=O)c3c2c(O)ccc3O;Oc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12;c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O","InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H","1,4,5,8-Tetrahydroxy anthraquinone","2014-09-29","2021-03-13","1,4,5,8-tetrahydroxyanthracene-9,10-dione","2015-03-18"],["PRE","PREPHENIC ACID","C10 H10 O6","OC1C=CC(CC(=O)C(=O)O)(C=C1)C(=O)O;O[CH]1C=C[C](CC(=O)C(O)=O)(C=C1)C(O)=O;C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O","InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+","","1999-07-08","2025-09-09","(1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid",""],["3O8","1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione","C18 H19 N3 O5","O=C2c1c(c(NCCNCCO)ccc1N)C(=O)c3c2c(O)ccc3O;Nc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12;c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO","InChI=1S/C18H19N3O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-24H,5-8,19H2","","2014-09-29","2015-03-13","1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione","2015-03-18"],["PRF","7-DEAZA-7-AMINOMETHYL-GUANINE","C7 H9 N5 O","O=C1c2c(cnc2N=C(N1)N)CN;NCc1c[nH]c2N=C(N)NC(=O)c12;c1c(c2c([nH]1)N=C(NC2=O)N)CN","InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)","","2000-02-14","2024-09-27","2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["3OA","1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione","C22 H26 N2 O8","O=C2c1c(c(NCCOCCO)ccc1NCCOCCO)C(=O)c3c2c(O)ccc3O;OCCOCCNc1ccc(NCCOCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12;c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO","InChI=1S/C22H26N2O8/c25-7-11-31-9-5-23-13-1-2-14(24-6-10-32-12-8-26)18-17(13)21(29)19-15(27)3-4-16(28)20(19)22(18)30/h1-4,23-28H,5-12H2","","2014-09-30","2015-03-13","1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione","2015-03-18"],["3OB","3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile","C25 H23 Cl N4 O3","O=C2C(N(C)C)=C(Oc1cc(C#N)cc(Cl)c1)C=C(N2)CC(=O)N4Cc3ccccc3CC4;CN(C)C1=C(Oc2cc(Cl)cc(c2)C#N)C=C(CC(=O)N3CCc4ccccc4C3)NC1=O;CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N","InChI=1S/C25H23ClN4O3/c1-29(2)24-22(33-21-10-16(14-27)9-19(26)11-21)12-20(28-25(24)32)13-23(31)30-8-7-17-5-3-4-6-18(17)15-30/h3-6,9-12H,7-8,13,15H2,1-2H3,(H,28,32)","","2008-12-08","2011-06-04","3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile",""],["PRH","6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE","C10 H15 N4 O5","OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH](O)NC=Nc23;c1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O","InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1","","1999-07-08","2011-06-04","(6S)-6-hydroxy-9-beta-D-ribofuranosyl-6,9-dihydro-1H-purin-7-ium",""],["PRI","PYRROLIDINE-2-CARBALDEHYDE","C5 H9 N O","O=CC1NCCC1;O=C[CH]1CCCN1;C1CC(NC1)C=O","InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4-6H,1-3H2/t5-/m0/s1","PROLINOL","2001-05-14","2020-06-17","(2S)-pyrrolidine-2-carbaldehyde",""],["3OC","(1R)-3-oxocyclohexanecarboxylic acid","C7 H10 O3","O=C(O)C1CC(=O)CCC1;OC(=O)[CH]1CCCC(=O)C1;C1CC(CC(=O)C1)C(=O)O","InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1","","2008-08-01","2011-06-04","(1R)-3-oxocyclohexanecarboxylic acid",""],["PRJ","(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid","C9 H15 N O3","O=C(O)C1NC2CC(O)CCC2C1;O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O;C1CC(CC2C1CC(N2)C(=O)O)O","InChI=1S/C9H15NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h5-8,10-11H,1-4H2,(H,12,13)/t5-,6+,7-,8-/m0/s1","","2010-11-05","2024-09-27","(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid",""],["3OD","(2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-4,5-DIHYDROXYTETRAHYDROFURAN-3-YL ACETATE","C17 H25 N5 O15 P2","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4OC(=O)C;CC(=O)O[CH]1[CH](O)[CH](O)O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CC(=O)OC1C(OC(C1O)O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11-,12-,13-,16-,17+/m1/s1","","2006-05-26","2011-06-04","(2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate (non-preferred name)",""],["3OE","4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide","C34 H37 N3 O5 S","O=C(c2ccc(OCc1ccccc1)cc2)NC(C(=O)NC(C(=O)NCc3sccc3C)CCc4ccccc4)C(O)C;C[CH](O)[CH](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4sccc4C;Cc1ccsc1CNC(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC(=O)c3ccc(cc3)OCc4ccccc4","InChI=1S/C34H37N3O5S/c1-23-19-20-43-30(23)21-35-33(40)29(18-13-25-9-5-3-6-10-25)36-34(41)31(24(2)38)37-32(39)27-14-16-28(17-15-27)42-22-26-11-7-4-8-12-26/h3-12,14-17,19-20,24,29,31,38H,13,18,21-22H2,1-2H3,(H,35,40)(H,36,41)(H,37,39)/t24-,29+,31+/m1/s1","","2011-06-27","2011-07-15","4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide",""],["PRK","N~6~-propanoyl-L-lysine","C9 H18 N2 O3","O=C(O)C(N)CCCCNC(=O)CC;CCC(=O)NCCCC[CH](N)C(O)=O;CCC(=O)NCCCCC(C(=O)O)N","InChI=1S/C9H18N2O3/c1-2-8(12)11-6-4-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1","N(6)-Propionyllysine","2010-05-12","2024-09-27","N~6~-propanoyl-L-lysine",""],["3OF","HYDRATED FE (III) ION, 2 WATERS COORDINATED","Fe H4 O2","O|[Fe+3]|O;[OH2][Fe+3][OH2]","InChI=1/Fe.2H2O/h;2*1H2/q+3;;/rFeH4O2/c2-1-3/h2-3H2/q+3","","2005-01-31","2008-10-14","",""],["PRL","PROFLAVIN","C13 H11 N3","n1c3c(cc2c1cc(N)cc2)ccc(c3)N;Nc1ccc2cc3ccc(N)cc3nc2c1;c1cc(cc2c1cc3ccc(cc3n2)N)N","InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2","","1999-07-08","2011-06-04","acridine-3,6-diamine",""],["PRM","3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM","C27 H34 N4","c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N;CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4;CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N","InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1","PROPIDIUM","2002-12-11","2021-03-01","3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium",""],["3OG","(1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate","C18 H32 O4","O=C1OC(C(OC(=O)C)CCCCCCCCCC)CCC1;CCCCCCCCCC[CH](OC(C)=O)[CH]1CCCC(=O)O1;CCCCCCCCCCC(C1CCCC(=O)O1)OC(=O)C","InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1","(5R,6S)-6-acetoy-5-hexadecanolide","2010-08-24","2020-06-17","(1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate",""],["PRN","PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE","C10 H13 N4 O6 P","O=P(O)(O)OCC3OC(n2cnc1cncnc12)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23;c1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C10H13N4O6P/c15-7-1-9(20-8(7)3-19-21(16,17)18)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15H,1,3H2,(H2,16,17,18)/t7-,8+,9+/m0/s1","","1999-07-08","2011-06-04","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine",""],["3OH","3-HYDROXY-PROPANOIC ACID","C3 H6 O3","O=C(O)CCO;OCCC(O)=O;C(CO)C(=O)O","InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)","","1999-07-08","2024-09-27","3-hydroxypropanoic acid",""],["PRO","PROLINE","C5 H9 N O2","O=C(O)C1NCCC1;OC(=O)[CH]1CCCN1;C1CC(NC1)C(=O)O","InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","L-proline",""],["3OJ","4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile","C15 H9 B N2 O3","N#Cc3cc(Oc2cc1c(B(O)OC1)cc2)ccc3C#N;OB1OCc2cc(Oc3ccc(C#N)c(c3)C#N)ccc12;B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O","InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2","","2010-07-21","2011-08-05","4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile",""],["PRP","1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose","C5 H13 O14 P3","O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O;C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1","ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID; 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;\n1-O-pyrophosphono-5-O-phosphono-D-ribose; 1-O-pyrophosphono-5-O-phosphono-ribose","1999-07-08","2020-07-17","1-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose",""],["3OK","1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione","C18 H20 N4 O4","O=C2c1c(c(NCCN)ccc1NCCN)C(=O)c3c2c(O)ccc3O;NCCNc1ccc(NCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12;c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN","InChI=1S/C18H20N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-24H,5-8,19-20H2","","2014-09-30","2015-03-13","1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione","2015-03-18"],["3OL","(3R)-oct-1-en-3-ol","C8 H16 O","OC(/C=C)CCCCC;CCCCC[CH](O)C=C;CCCCCC(C=C)O","InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1","","2000-11-22","2014-02-24","(3R)-oct-1-en-3-ol",""],["PRQ","(3S)-3-amino-3-(2-nitrophenyl)propanoic acid","C9 H10 N2 O4","[O-][N+](=O)c1ccccc1C(N)CC(=O)O;N[CH](CC(O)=O)c1ccccc1[N+]([O-])=O;c1ccc(c(c1)C(CC(=O)O)N)[N+](=O)[O-]","InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1","","2007-10-17","2024-09-27","(3S)-3-amino-3-(2-nitrophenyl)propanoic acid",""],["PRR","3-(METHYL-PYRIDINIUM)ALANINE","C9 H13 N2 O2","O=C(O)C(N)Cc1ccc[n+](c1)C;C[n+]1cccc(C[CH](N)C(O)=O)c1;C[n+]1cccc(c1)CC(C(=O)O)N","InChI=1S/C9H12N2O2/c1-11-4-2-3-7(6-11)5-8(10)9(12)13/h2-4,6,8H,5,10H2,1H3/p+1/t8-/m0/s1","","1999-07-08","2024-09-27","3-(1-methylpyridinium-3-yl)-L-alanine",""],["3OM","(3S)-1-octen-3-ol","C8 H16 O","OC(/C=C)CCCCC;CCCCC[CH](O)C=C;CCCCCC(C=C)O","InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1","","2014-02-19","2014-02-21","(3S)-oct-1-en-3-ol","2014-02-26"],["2H2","4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide","C19 H17 F3 N2 O3 S","O=S(=O)(NCC#Cc1ccc(C(=O)NCCC(F)(F)F)cc1)c2ccccc2;FC(F)(F)CCNC(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F","InChI=1S/C19H17F3N2O3S/c20-19(21,22)12-14-23-18(25)16-10-8-15(9-11-16)5-4-13-24-28(26,27)17-6-2-1-3-7-17/h1-3,6-11,24H,12-14H2,(H,23,25)","","2013-08-13","2014-06-20","4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide","2014-06-25"],["PRS","THIOPROLINE","C4 H7 N O2 S","O=C(O)C1NCSC1;OC(=O)[CH]1CSCN1;C1C(NCS1)C(=O)O","InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1","","1999-07-08","2024-09-27","(4R)-1,3-thiazolidine-4-carboxylic acid",""],["PRT"," PHOSPHORIBOSYL ATP ","C15 H25 N5 O20 P4","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2=N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]4O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN(C2=N)C4C(C(C(O4)COP(=O)(O)O)O)O","InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/b16-12-/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2003-08-15","2021-03-13","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",""],["2H3","(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol","C6 H12 O6","OC1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C1(C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-","scyllo-inositol","2013-10-18","2020-06-17","(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol","2015-04-15"],["PRU","(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid","C12 H18 O8","O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C;C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O;CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m1/s1","Polyacrylic acid","2014-08-27","2021-03-01","(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid","2015-06-10"],["2H4","(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol","C16 H17 N O4","Oc1ccc(cc1O)CC3c2c(cc(O)c(O)c2)CCN3;Oc1ccc(C[CH]2NCCc3cc(O)c(O)cc23)cc1O;c1cc(c(cc1CC2c3cc(c(cc3CCN2)O)O)O)O","InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1","","2014-03-27","2016-06-03","(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol","2016-06-08"],["PRV","(2R)-amino(2-nitrophenyl)ethanoic acid","C8 H8 N2 O4","[O-][N+](=O)c1ccccc1C(N)C(=O)O;N[CH](C(O)=O)c1ccccc1[N+]([O-])=O;c1ccc(c(c1)C(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1","2-(NITRO)PHENYLGLYCINE","2010-02-02","2024-09-27","(2R)-amino(2-nitrophenyl)ethanoic acid",""],["2H5","3-deoxy-3-fluoro-beta-D-galactopyranose","C6 H11 F O5","FC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O;C(C1C(C(C(C(O1)O)O)F)O)O","InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1","3-deoxy-3-fluoro-beta-D-galactose; 3-deoxy-3-fluoro-D-galactose; 3-deoxy-3-fluoro-galactose","2013-10-18","2020-07-17","3-deoxy-3-fluoro-beta-D-galactopyranose","2014-02-05"],["2H7","4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide","C24 H22 F N5 O3","O=C(NO)CC(n1nnc(c1)CNC(=O)c2ccc(F)cc2)Cc4cc3ccccc3cc4;ONC(=O)C[CH](Cc1ccc2ccccc2c1)n3cc(CNC(=O)c4ccc(F)cc4)nn3;c1ccc2cc(ccc2c1)CC(CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F","InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1","","2014-01-06","2015-10-02","4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide","2015-10-07"],["PRW","(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID","C4 H9 N O4","O=C(O)C(O)C(O)CN;NC[CH](O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)N","InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1","","2010-02-02","2024-09-27","(2R,3R)-4-amino-2,3-dihydroxybutanoic acid",""],["PRX","ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER","C13 H20 N5 O7 P","OC1C(OC(COP(=O)(O)OCCC)C1O)n2cnc3c2ncnc3N;CCCO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","ADENOSINE-5'-PROPYLPHOSPHATE","2003-02-18","2020-06-17","5'-O-[(R)-hydroxy(propoxy)phosphoryl]adenosine",""],["2H8","(3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","C14 H24 N2 O4","O=C(O)C1=CC(N)C(NC(=O)C)C(OC(CC)CC)C1;CCC(CC)O[CH]1CC(=C[CH](N)[CH]1NC(C)=O)C(O)=O;CCC(CC)OC1CC(=CC(C1NC(=O)C)N)C(=O)O","InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1","","2013-10-20","2013-10-25","(3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid","2013-10-30"],["PRY","2-PROPYL-ANILINE","C9 H13 N","Nc1ccccc1CCC;CCCc1ccccc1N;CCCc1ccccc1N","InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3","","2003-04-01","2011-06-04","2-propylaniline",""],["2H9","N-[(S)-[(2R)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid","C15 H19 N2 O10 P","O=C(NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O)c1ccccc1;OC(=O)CC[CH](N[P](O)(=O)OC[CH](NC(=O)c1ccccc1)C(O)=O)C(O)=O;c1ccc(cc1)C(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O","InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/t10-,11+/m0/s1","","2014-03-27","2015-05-15","N-[(S)-[(2R)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid","2015-05-20"],["PRZ","2-ISOBUTYL-3-METHOXYPYRAZINE","C9 H14 N2 O","O(c1nccnc1CC(C)C)C;COc1nccnc1CC(C)C;CC(C)Cc1c(nccn1)OC","InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3","","2000-03-06","2011-06-04","2-methoxy-3-(2-methylpropyl)pyrazine",""],["2HA","Dihydroxyacetone","C3 H6 O3","O=C(CO)CO;OCC(=O)CO;C(C(=O)CO)O","InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","","2003-07-15","2020-06-29","1,3-dihydroxypropan-2-one",""],["PS0","3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL","C10 H15 N O","OC(C(N)Cc1ccccc1)C;C[CH](O)[CH](N)Cc1ccccc1;CC(C(Cc1ccccc1)N)O","InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10-/m0/s1","","2001-02-26","2011-08-06","(2S,3S)-3-amino-4-phenylbutan-2-ol",""],["2HB","N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide","C21 H23 N5 O3 S","O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5;O=C(Nc1nn2c(cccc2c3ccc(CN4CC[S](=O)(=O)CC4)cc3)n1)C5CC5;c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5","InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)","G146034","2014-03-28","2020-06-17","N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide","2014-11-19"],["2HC","(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID","C9 H8 O3","O=C(O)/C=C/c1ccccc1O;OC(=O)C=Cc1ccccc1O;c1ccc(c(c1)C=CC(=O)O)O","InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+","TRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID","2003-12-22","2020-06-17","(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid",""],["PS1","1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE]","C26 H49 N O10 P","O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCCC","InChI=1S/C26H50NO10P/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/p-1/t22-,23+/m1/s1","","2004-08-02","2011-06-04","O-({[(2R)-2,3-bis(decanoyloxy)propyl]oxy}phosphinato)-L-serine",""],["PS2","O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-3-(PALMITOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE","C40 H76 Br2 N O10 P","O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC(Br)C(Br)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br","InChI=1S/C40H76Br2NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(44)50-31-34(32-51-54(48,49)52-33-37(43)40(46)47)53-39(45)30-26-22-18-20-24-28-36(42)35(41)27-23-19-10-8-6-4-2/h34-37H,3-33,43H2,1-2H3,(H,46,47)(H,48,49)/t34-,35+,36+,37+/m1/s1","DIBROMINATED PHOSPHATIDYLSERINE; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-L-SERINE](SODIUM SALT)","2006-07-07","2020-06-17","O-[(S)-{[(2R)-2-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-3-(hexadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine",""],["2HD","(2R)-2,3-dibutoxypropyl (R)-octylphosphinate","C19 H41 O4 P","O=P(OCC(OCCCC)COCCCC)CCCCCCCC;CCCCCCCC[PH](=O)OC[CH](COCCCC)OCCCC;CCCCCCCCP(=O)OCC(COCCCC)OCCCC","InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1","","2013-10-21","2014-04-11","(2R)-2,3-dibutoxypropyl (R)-octylphosphinate","2014-04-16"],["PS4","N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide","C23 H28 Cl N3 O4 S","O=C(N1CCCC1CNC(=O)c2cccc(c2)S(=O)(=O)C)CC(N)Cc3cccc(Cl)c3;C[S](=O)(=O)c1cccc(c1)C(=O)NC[CH]2CCCN2C(=O)C[CH](N)Cc3cccc(Cl)c3;CS(=O)(=O)c1cccc(c1)C(=O)NCC2CCCN2C(=O)CC(Cc3cccc(c3)Cl)N","InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1","","2009-04-15","2011-06-04","N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide",""],["2HE","(2-hydroxyethyl)phosphonic acid","C2 H7 O4 P","O=P(O)(O)CCO;OCC[P](O)(O)=O;C(CP(=O)(O)O)O","InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)","","2009-02-23","2011-06-04","(2-hydroxyethyl)phosphonic acid",""],["2HF","2-fluoro-L-histidine","C6 H9 F N3 O2","Fc1[nH+]c(cn1)CC(N)C(=O)O;N[CH](Cc1c[nH]c(F)[nH+]1)C(O)=O;c1c([nH+]c([nH]1)F)CC(C(=O)O)N","InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1","","2010-04-22","2024-09-27","3-(2-fluoro-1H-imidazol-3-ium-4-yl)-L-alanine",""],["PS5","PENTASULFIDE-SULFUR","S5","[S-]SSS[S-];[S-]SSS[S-];[S-]SSS[S-]","InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2","","2003-09-15","2024-09-27","pentasulfane-1,5-diide",""],["2HG","(2R)-2-hydroxypentanedioic acid","C5 H8 O5","O=C(O)CCC(O)C(=O)O;O[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)O","InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1","","2010-12-16","2011-06-04","(2R)-2-hydroxypentanedioic acid",""],["PS6","O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine","C26 H50 N O10 P","O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC","InChI=1S/C26H50NO10P/c1-3-5-7-8-9-10-11-12-13-14-16-17-24(28)34-19-22(37-25(29)18-15-6-4-2)20-35-38(32,33)36-21-23(27)26(30)31/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/t22-,23+/m0/s1","","2008-06-02","2011-06-04","O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine",""],["PS7","{(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate","C30 H52 O7 P2","CC(C)=CCCC(C)=CCCC(C)=C[CH]1[CH](CO[P](O)(=O)O[P](O)(O)=O)[C]1(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)C)C)C","InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m1/s1","","2010-03-02","2011-06-04","[(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate",""],["2HH","1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide","C10 H10 N4 O","O=C(Nc1cccnc1)c2ccnn2C;Cn1nccc1C(=O)Nc2cccnc2;Cn1c(ccn1)C(=O)Nc2cccnc2","InChI=1S/C10H10N4O/c1-14-9(4-6-12-14)10(15)13-8-3-2-5-11-7-8/h2-7H,1H3,(H,13,15)","","2013-10-22","2014-02-14","1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide","2014-02-19"],["2HI","(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-4H-CHROMEN-4-ONE","C15 H12 O5","O=C1c3c(OC(O)C1c2ccc(O)cc2)cc(O)cc3;O[CH]1Oc2cc(O)ccc2C(=O)[CH]1c3ccc(O)cc3;c1cc(ccc1C2C(Oc3cc(ccc3C2=O)O)O)O","InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H/t13-,15-/m0/s1","2,7,4'-TRIHYDROXYISOFLAVANONE","2005-04-26","2021-03-13","(2S,3R)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",""],["PS8","2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE","C21 H24 Cl2 N6 O2 S","Clc3cc(c1ccc(nc1)N2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C;Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl)c3ccc(nc3)N4CCNCC4)c1C;Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl","InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3","","2011-09-29","2014-09-05","2,6-dichloro-4-[6-(piperazin-1-yl)pyridin-3-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide",""],["PS9","octathiocane","S8","S1SSSSSSS1;S1SSSSSSS1;S1SSSSSSS1","InChI=1S/S8/c1-2-4-6-8-7-5-3-1","","2009-04-17","2024-09-27","octathiocane",""],["2HJ","4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide","C23 H25 N3 O3 S","O=C(Nc1cccnc1)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3;CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3","InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)","","2013-10-22","2014-02-14","4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide","2014-02-19"],["PSA","3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID","C11 H15 N O3","O=C(O)CC(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)CC(O)=O;c1ccc(cc1)CC(C(CC(=O)O)O)N","InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1","","1999-07-08","2024-09-27","4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid",""],["2HK","4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol","C30 H31 N3 O3","Oc1ccc(cc1)c6ccc(C5=C4C(=C3C(C=C(OC)C(OCCN2CCCCC2)=C3)=C4)NN5)cc6;COc1cc2cc3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(O)cc6;COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O","InChI=1S/C30H31N3O3/c1-35-27-18-23-17-26-29(22-7-5-20(6-8-22)21-9-11-24(34)12-10-21)31-32-30(26)25(23)19-28(27)36-16-15-33-13-3-2-4-14-33/h5-12,17-19,31-32,34H,2-4,13-16H2,1H3","","2012-07-05","2012-08-17","4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol",""],["PSB","3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE","C25 H21 N7 O3 S","O=C(NCc2ccccc2Sc1ccccc1CO)c3cc(ccc3)n4nc5nc(nc(O)c5n4)N;Nc1nc(O)c2nn(nc2n1)c3cccc(c3)C(=O)NCc4ccccc4Sc5ccccc5CO;c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO","InChI=1S/C25H21N7O3S/c26-25-28-22-21(24(35)29-25)30-32(31-22)18-9-5-8-15(12-18)23(34)27-13-16-6-1-3-10-19(16)36-20-11-4-2-7-17(20)14-33/h1-12,33H,13-14H2,(H,27,34)(H3,26,28,29,31,35)","","2003-12-22","2011-06-04","3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide",""],["2HL","1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide","C26 H25 N5 O2","O=C(c1ccccc1)N5CCC(Cn3c4ccc(C(=O)Nc2cccnc2)cc4nc3)CC5;O=C(Nc1cccnc1)c2ccc3n(CC4CCN(CC4)C(=O)c5ccccc5)cnc3c2;c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5","InChI=1S/C26H25N5O2/c32-25(29-22-7-4-12-27-16-22)21-8-9-24-23(15-21)28-18-31(24)17-19-10-13-30(14-11-19)26(33)20-5-2-1-3-6-20/h1-9,12,15-16,18-19H,10-11,13-14,17H2,(H,29,32)","","2013-10-22","2014-02-14","1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide","2014-02-19"],["2HM","(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid","C8 H15 N O4","O=C(NO)CC(C(=O)O)CC(C)C;CC(C)C[CH](CC(=O)NO)C(O)=O;CC(C)CC(CC(=O)NO)C(=O)O","InChI=1S/C8H15NO4/c1-5(2)3-6(8(11)12)4-7(10)9-13/h5-6,13H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1","","2011-02-01","2012-01-13","(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid",""],["PSC","(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE","C42 H81 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC","InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/p+1/b16-14+,21-20-/t40-/m1/s1","PHOSPHATIDYLCHOLINE; 2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE","2003-12-02","2020-05-27","(4S,7R,17Z,20E)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide",""],["PSD","5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE","C15 H22 N7 O7 P","O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NC(=O)[CH]4CCCN4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(=O)C4CCCN4)O)O)O)N","InChI=1S/C15H22N7O7P/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H2,16,18,19)(H2,21,25,26,27)/t7-,8+,10+,11+,15+/m0/s1","","2001-05-16","2023-09-18","5'-O-[(R)-hydroxy(L-prolylamino)phosphoryl]adenosine",""],["2HN","(1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid","C14 H11 F5 O6","O=C1C(C(O)(C(=O)O)CC(O)C1O)Cc2c(F)c(F)c(F)c(F)c2F;O[CH]1C[C](O)([CH](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)[CH]1O)C(O)=O;C1C(C(C(=O)C(C1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O","InChI=1S/C14H11F5O6/c15-6-3(7(16)9(18)10(19)8(6)17)1-4-11(21)12(22)5(20)2-14(4,25)13(23)24/h4-5,12,20,22,25H,1-2H2,(H,23,24)/t4-,5-,12+,14-/m1/s1","(1R,2S,4S,5R)-2-(perfluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid","2012-08-14","2020-06-17","(1R,2S,4S,5R)-1,4,5-trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid","2012-12-14"],["PSE","O-PHOSPHOETHANOLAMINE","C3 H10 N O5 P","O=P(O)(O)OCC(N)CO;N[CH](CO)CO[P](O)(O)=O;C(C(COP(=O)(O)O)N)O","InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1","","1999-07-08","2025-02-05","(2R)-2-amino-3-hydroxypropyl dihydrogen phosphate",""],["2HO","3,4-difluorobenzamide","C7 H5 F2 N O","Fc1ccc(C(=O)N)cc1F;NC(=O)c1ccc(F)c(F)c1;c1cc(c(cc1C(=O)N)F)F","InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)","","2013-10-22","2013-11-01","3,4-difluorobenzamide","2013-11-06"],["2HP","DIHYDROGENPHOSPHATE ION","H2 O4 P","[O-]P(=O)(O)O;O[P](O)([O-])=O;OP(=O)(O)[O-]","InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1","","1999-07-08","2011-06-04","dihydrogen phosphate",""],["PSF","1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE","C18 H34 N O10 P","O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC;CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC","InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1","PHOSPHATIDYLSERINE","2000-01-12","2020-06-17","O-[(S)-{[(2R)-2,3-bis(hexanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine",""],["PSG","4-nitrophenyl 1-thio-beta-D-glucopyranoside","C12 H15 N O7 S","[O-][N+](=O)c2ccc(SC1OC(C(O)C(O)C1O)CO)cc2;OC[CH]1O[CH](Sc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1","PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE; 4-nitrophenyl 1-thio-beta-D-glucoside; 4-nitrophenyl\n1-thio-D-glucoside; 4-nitrophenyl 1-thio-glucoside","2000-05-03","2020-07-17","4-nitrophenyl 1-thio-beta-D-glucopyranoside",""],["2HQ","5-chloro-1H-indole-2,3-dione","C8 H4 Cl N O2","Clc1cc2c(cc1)NC(=O)C2=O;Clc1ccc2NC(=O)C(=O)c2c1;c1cc2c(cc1Cl)C(=O)C(=O)N2","InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)","","2013-10-22","2013-11-01","5-chloro-1H-indole-2,3-dione","2013-11-06"],["PSH","1-thiophosphono-L-histidine","C6 H10 N3 O4 P S","O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O;N[CH](Cc1cn(cn1)[P](O)(S)=O)C(O)=O;c1c(ncn1P(=O)(O)S)CC(C(=O)O)N","InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1","","2007-09-28","2024-09-27","1-thiophosphono-L-histidine",""],["2HR","HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER","C16 H27 O3 P","O=P(O)(OCC(Cc1ccccc1)C)CCCCCC;CCCCCC[P](O)(=O)OC[CH](C)Cc1ccccc1;CCCCCCP(=O)(O)OCC(C)Cc1ccccc1","InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1","","2005-02-23","2024-09-27","(2R)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate",""],["2HS","HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER","C16 H27 O3 P","O=P(O)(OCC(Cc1ccccc1)C)CCCCCC;CCCCCC[P](O)(=O)OC[CH](C)Cc1ccccc1;CCCCCCP(=O)(O)OCC(C)Cc1ccccc1","InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1","","2005-02-23","2024-09-27","(2S)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate",""],["PSI","methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate","C29 H47 N5 O7","O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C;COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N)C(C)C)C(C)C;CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(C)N)O","InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1","SKF 107457","1999-07-08","2021-03-01","methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate",""],["PSJ","D-psicose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1","","2009-09-09","2020-06-24","D-psicose",""],["2HT","3-methylbenzonitrile","C8 H7 N","N#Cc1cccc(c1)C;Cc1cccc(c1)C#N;Cc1cccc(c1)C#N","InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3","","2008-11-19","2011-06-04","3-methylbenzonitrile",""],["PSK","[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID","C7 H15 O4 P","O=C(C(C(O)CC)C)CP(=O)O;CC[CH](O)[CH](C)C(=O)C[PH](O)=O;CCC(C(C)C(=O)CP(=O)O)O","InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1","","2006-06-06","2024-09-27","(S)-[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid",""],["2HU","5-nitro-1H-indole","C8 H6 N2 O2","[O-][N+](=O)c1cc2c(cc1)ncc2;[O-][N+](=O)c1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1[N+](=O)[O-]","InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H","","2013-10-22","2013-11-01","5-nitro-1H-indole","2013-11-06"],["PSL","PYROSULFATE","O7 S2","[O-]S(=O)(=O)OS([O-])(=O)=O;[O-][S](=O)(=O)O[S]([O-])(=O)=O;[O-]S(=O)(=O)OS(=O)(=O)[O-]","InChI=1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2","","2005-01-26","2011-06-04","disulfate",""],["2HV","2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide","C17 H20 N4 O2 S","O=C(Nc3nc(C(=O)Nc2ccccc2N1CCCCC1)cs3)C;CC(=O)Nc1scc(n1)C(=O)Nc2ccccc2N3CCCCC3;CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3","InChI=1S/C17H20N4O2S/c1-12(22)18-17-20-14(11-24-17)16(23)19-13-7-3-4-8-15(13)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22)","","2013-10-23","2013-11-01","2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide","2013-11-06"],["PSM","N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE","C20 H33 N5 O5 S2","O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCSC)C(O)C)CCC;CCC[S](=O)(=O)N[CH]([CH](C)O)C(=O)N[CH](CCSC)C(=O)NCc1ccc(cc1)C(N)=N;CCCS(=O)(=O)NC(C(C)O)C(=O)NC(CCSC)C(=O)NCc1ccc(cc1)C(=N)N","InChI=1S/C20H33N5O5S2/c1-4-11-32(29,30)25-17(13(2)26)20(28)24-16(9-10-31-3)19(27)23-12-14-5-7-15(8-6-14)18(21)22/h5-8,13,16-17,25-26H,4,9-12H2,1-3H3,(H3,21,22)(H,23,27)(H,24,28)/t13-,16-,17+/m0/s1","N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID","2004-10-14","2020-06-17","N-(propylsulfonyl)-D-threonyl-N-(4-carbamimidoylbenzyl)-L-methioninamide",""],["2HW","3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide","C15 H19 N7 O","O=C(c1nccnc1N)Nc2cnccc2N3CCCC(N)C3;N[CH]1CCCN(C1)c2ccncc2NC(=O)c3nccnc3N;c1cncc(c1N2CCCC(C2)N)NC(=O)c3c(nccn3)N","InChI=1S/C15H19N7O/c16-10-2-1-7-22(9-10)12-3-4-18-8-11(12)21-15(23)13-14(17)20-6-5-19-13/h3-6,8,10H,1-2,7,9,16H2,(H2,17,20)(H,21,23)/t10-/m0/s1","","2013-10-23","2013-11-01","3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide","2013-11-06"],["2HX","N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide","C23 H22 F3 N5 O2","Fc1cccc(F)c1c2nc(ccc2F)C(=O)Nc3cnccc3N4CC(C(O)C(N)C4)C;C[CH]1CN(C[CH](N)[CH]1O)c2ccncc2NC(=O)c3ccc(F)c(n3)c4c(F)cccc4F;CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F","InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1","","2013-10-23","2013-11-01","N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide","2013-11-06"],["PSN","BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE","C14 H13 O5 P","O=P(OCc1ccccc1)(Oc2ccccc2C=O)O;O[P](=O)(OCc1ccccc1)Oc2ccccc2C=O;c1ccc(cc1)COP(=O)(O)Oc2ccccc2C=O","InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)","PASBN","2003-06-20","2024-09-27","benzyl 2-formylphenyl hydrogen (R)-phosphate",""],["PSO","4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN","C15 H14 O4","O=C3Oc2c(c1oc(c(c1cc2C(=C3)C)CO)C)C;Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CO;Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO","InChI=1S/C15H14O4/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5,16H,6H2,1-3H3","","1999-07-08","2011-06-04","3-(hydroxymethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one",""],["2HY","2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate","C22 H18 F3 N3 O4","FC(F)(F)c1cc(ccc1)N2C(=C(C(=O)OCCO)C(NC2=O)c3ccc(C#N)cc3)C;CC1=C([CH](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO;CC1=C(C(NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO","InChI=1S/C22H18F3N3O4/c1-13-18(20(30)32-10-9-29)19(15-7-5-14(12-26)6-8-15)27-21(31)28(13)17-4-2-3-16(11-17)22(23,24)25/h2-8,11,19,29H,9-10H2,1H3,(H,27,31)/t19-/m1/s1","","2011-01-05","2011-06-04","2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate",""],["PSP","1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDINIUMALDOXIME","C15 H18 N4 O2","ON=Cc1cc[n+](cc1)CCC[n+]2ccc(C=NO)cc2;ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1;c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO","InChI=1S/C15H16N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-13H,1,6-7H2/p+2","","2001-07-02","2011-06-04","1,1'-propane-1,3-diylbis{4-[(E)-(hydroxyimino)methyl]pyridinium}",""],["2HZ","(2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid","C15 H11 N O4","O=[N+]([O-])c2cc(c1cccc(/C=CC(=O)O)c1)ccc2;OC(=O)C=Cc1cccc(c1)c2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])C=CC(=O)O","InChI=1S/C15H11NO4/c17-15(18)8-7-11-3-1-4-12(9-11)13-5-2-6-14(10-13)16(19)20/h1-10H,(H,17,18)/b8-7-","","2013-12-09","2015-02-27","(2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid","2015-03-04"],["PSQ","NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE","C5 H15 N4 O6 P S","O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)O)N;N[CH](CCCN[P](N)(=O)N[S](O)(=O)=O)C(O)=O;C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O","InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1","","2000-01-27","2011-06-04","N~5~-[(R)-amino(sulfoamino)phosphoryl]-L-ornithine",""],["2I0","1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one","C27 H29 N5 O4","CCC(=O)N1CC[CH](C1)n2cc(c(n2)c3cccc(OC)c3)c4ncnc5cc(OC)c(OC)cc45;CCC(=O)N1CCC(C1)n2cc(c(n2)c3cccc(c3)OC)c4c5cc(c(cc5ncn4)OC)OC","InChI=1S/C27H29N5O4/c1-5-25(33)31-10-9-18(14-31)32-15-21(26(30-32)17-7-6-8-19(11-17)34-2)27-20-12-23(35-3)24(36-4)13-22(20)28-16-29-27/h6-8,11-13,15-16,18H,5,9-10,14H2,1-4H3/t18-/m0/s1","","2023-07-11","2024-09-27","1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one","2024-06-05"],["PSR","THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER","C15 H29 N2 O8 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCC;CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m1/s1","","2002-02-26","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] butanethioate",""],["2I2","pentadecaoxodiphosphopentatungstate","H10 O23 P2 W5","O[W]123(O)O[P]4(=O)[O+]5[W]6(O)(O)(O[P]7(=O)[O+]1[W]8(O)(O)(O2)O[W]9(O)(O)(O[W]5(O)(O)(O6)[O+]79)[O+]48)O3;O[W]123(OP4(=O)[O+]5[W]6(O1)(OP7(=O)[O+]2[W]8(O3)([O+]4[W]9(O8)([O+]7[W]5(O6)(O9)(O)O)(O)O)(O)O)(O)O)O","InChI=1S/2HO4P.10H2O.5O.5W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;/h2*(H,1,2);10*1H2;;;;;;;;;;/q2*+2;;;;;;;;;;;;;;;;3*+2;2*+3/p-12","","2021-06-15","2022-06-17","","2022-06-22"],["PSS","(2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid","C17 H24 N2 O3","O=C(O)C(N1C(=O)C(NCC1)Cc2ccccc2)CCCC;CCCC[CH](N1CCN[CH](Cc2ccccc2)C1=O)C(O)=O;CCCCC(C(=O)O)N1CCNC(C1=O)Cc2ccccc2","InChI=1S/C17H24N2O3/c1-2-3-9-15(17(21)22)19-11-10-18-14(16(19)20)12-13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3,(H,21,22)/t14-,15+/m1/s1","","1999-07-08","2012-01-11","(2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid",""],["2I3","6-chloranylimidazo[2,1-b][1,3]thiazole","C5 H3 Cl N2 S","Clc1cn2ccsc2n1;c1csc2n1cc(n2)Cl","InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H","","2022-01-26","2022-04-22","6-chloranylimidazo[2,1-b][1,3]thiazole","2022-04-27"],["2I4","3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid","C36 H56 O6","O=C(O)C(C)(C)CC(=O)OC1CCC2(C)C3CCC4C5C(CCC5(CCC4(C)C3(C)CCC2C1(C)C)C(=O)O)C(=C)C;CC(=C)[CH]1CC[C]2(CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[CH]5CC[C]34C)[CH]12)C(O)=O;CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)O","InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1","Bevirimat","2021-06-28","2023-02-10","3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid","2023-02-15"],["PST","THYMIDINE-5'-THIOPHOSPHATE","C10 H15 N2 O7 P S","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=S)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)O","InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","5'-O-thiophosphonothymidine",""],["PSU","PSEUDOURIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O9 P","O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O;C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1","","1999-07-08","2011-06-04","(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",""],["2I5","1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","C21 H22 Br N9 O2","CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4cc(Br)ccc4O)c5c(N)ncnc25;CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4cn(nn4)c5cc(ccc5O)Br)c(ncn3)N","InChI=1S/C21H22BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h5-6,8,10-11,13,32H,2-4,7,9H2,1H3,(H2,23,24,25)/t13-/m1/s1","","2021-06-15","2024-09-27","1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one","2022-07-20"],["PSV","alpha-D-psicofuranose","C6 H12 O6","OC1C(O)C(OC1(O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1","alpha-D-psicose; D-psicose; psicose","2009-09-10","2020-07-17","alpha-D-psicofuranose",""],["2I6","1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one","C25 H25 N5 O4","CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(OC)c5;CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(c5)OC","InChI=1S/C25H25N5O4/c1-4-23(31)30-12-17(13-30)34-22-9-18-20(10-21(22)33-3)26-14-27-25(18)19-11-28-29-24(19)15-6-5-7-16(8-15)32-2/h5-11,14,17H,4,12-13H2,1-3H3,(H,28,29)","","2023-07-11","2024-09-27","1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one","2024-06-05"],["PSW","3-(SULFANYLSELANYL)-L-ALANINE","C3 H7 N O2 S Se","O=C(O)C(N)C[Se]S;N[CH](C[Se]S)C(O)=O;C(C(C(=O)O)N)[Se]S","InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","2009-08-07","2024-09-27","3-(sulfanylselanyl)-L-alanine",""],["2I7","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol","C25 H30 N4 O4","Cc1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1ncccn1;Cc1cc(NCc2cccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)c2)cc(c1)c4ncccn4;Cc1cc(cc(c1)NCc2cccc(c2)CN3CC(C(C(C3CO)O)O)O)c4ncccn4","InChI=1S/C25H30N4O4/c1-16-8-19(25-26-6-3-7-27-25)11-20(9-16)28-12-17-4-2-5-18(10-17)13-29-14-22(31)24(33)23(32)21(29)15-30/h2-11,21-24,28,30-33H,12-15H2,1H3/t21-,22+,23-,24-/m1/s1","","2021-06-28","2022-07-01","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol","2022-07-06"],["PSX","[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID","C7 H17 O5 P","O=P(O)(O)CC(O)C(C(O)CC)C;CC[CH](O)[CH](C)[CH](O)C[P](O)(O)=O;CCC(C(C)C(CP(=O)(O)O)O)O","InChI=1S/C7H17O5P/c1-3-6(8)5(2)7(9)4-13(10,11)12/h5-9H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1","","2006-06-06","2024-09-27","[(2S,3R,4S)-2,4-dihydroxy-3-methylhexyl]phosphonic acid",""],["2I8","3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide","C27 H25 N7 O2","CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)c5ccccc5C;CCC(=O)Nc1cc(cc(c1)C(=O)NCc2cn(nn2)c3ccccc3C)c4c5ccccc5[nH]n4","InChI=1S/C27H25N7O2/c1-3-25(35)29-20-13-18(26-22-9-5-6-10-23(22)31-32-26)12-19(14-20)27(36)28-15-21-16-34(33-30-21)24-11-7-4-8-17(24)2/h4-14,16H,3,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)","","2021-06-15","2024-09-27","3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide","2022-07-20"],["PSY","phenyl ethenesulfonate","C8 H8 O3 S","O=S(=O)(Oc1ccccc1)C=C;C=C[S](=O)(=O)Oc1ccccc1;C=CS(=O)(=O)Oc1ccccc1","InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2","","2007-12-14","2024-09-27","phenyl ethenesulfonate",""],["2I9","(~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide","C28 H28 N2 O5 S","CN(C)C(=O)C=CCNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1;CN(C)C(=O)C=CCNCCOc1ccc(cc1)Oc2c3ccc(cc3sc2c4ccc(cc4)O)O","InChI=1S/C28H28N2O5S/c1-30(2)26(33)4-3-15-29-16-17-34-22-10-12-23(13-11-22)35-27-24-14-9-21(32)18-25(24)36-28(27)19-5-7-20(31)8-6-19/h3-14,18,29,31-32H,15-17H2,1-2H3/b4-3-","","2022-01-27","2024-09-27","(~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide","2023-01-25"],["PSZ","4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID","C13 H15 N2 O7 P S","O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2cc(sc2)C(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CNc2csc(c2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O","InChI=1S/C13H15N2O7PS/c1-7-12(16)10(8(3-14-7)5-22-23(19,20)21)4-15-9-2-11(13(17)18)24-6-9/h2-3,6,15-16H,4-5H2,1H3,(H,17,18)(H2,19,20,21)","","2007-06-12","2011-06-04","4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid",""],["2IA","2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)","C10 H13 I N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(I)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3I;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)I)N","InChI=1S/C10H13IN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4?,5-,7-,10-/m1/s1","","2011-06-10","2011-08-12","2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)",""],["PT","PLATINUM (II) ION","Pt","[Pt+2];[Pt++];[Pt+2]","InChI=1S/Pt/q+2","","1999-07-08","2011-06-04","platinum(2+)",""],["2IB","2-IODOBENZYL GROUP","C7 H7 I","Ic1ccccc1C;Cc1ccccc1I;Cc1ccccc1I","InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3","","1999-07-08","2011-06-04","1-iodo-2-methylbenzene",""],["2IC","5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID","C26 H20 Cl2 N4 O4 S","O=C(O)c1cc(sc1)CN5CC3(C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N3C)C(c4ccc(C#N)cc4)C5;CN1C(=O)N(C(=O)[C]12CN(C[CH]2c3ccc(cc3)C#N)Cc4scc(c4)C(O)=O)c5cc(Cl)cc(Cl)c5;CN1C(=O)N(C(=O)C12CN(CC2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl","InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1","","2006-09-20","2011-06-04","5-{[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]methyl}thiophene-3-carboxylic acid",""],["PT0","(R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid","C9 H20 N O4 P","O=P(O)(C(N)CC(C)C)CC(=O)OCC;CCOC(=O)C[P](O)(=O)[CH](N)CC(C)C;CCOC(=O)CP(=O)(C(CC(C)C)N)O","InChI=1S/C9H20NO4P/c1-4-14-9(11)6-15(12,13)8(10)5-7(2)3/h7-8H,4-6,10H2,1-3H3,(H,12,13)/t8-/m1/s1","","2010-10-01","2012-01-13","(R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid",""],["PT1","PTEROIC ACID","C14 H12 N6 O3","O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N;Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1;c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O","InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)","","1999-07-08","2011-06-04","4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid",""],["2ID","[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate","C13 H18 I N5 O8 P2","O=P(O)(O)OC3CC(n1c2nc(I)nc(c2nc1)NC)C4CC34COP(=O)(O)O;CNc1nc(I)nc2n(cnc12)[CH]3C[CH](O[P](O)(O)=O)[C]4(CO[P](O)(O)=O)C[CH]34;CNc1c2c(nc(n1)I)n(cn2)C3CC(C4(C3C4)COP(=O)(O)O)OP(=O)(O)O","InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1","","2015-01-22","2015-03-27","[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate","2015-04-01"],["PT2","[ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)","C14 H14 N4 Pt","c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCCN5;C1CN[Pt]2(N1)[n+]3cccc4ccc5ccc[n+]2c5c34;c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5","InChI=1S/C12H8N2.C2H6N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-2-4;/h1-8H;3-4H,1-2H2;/q;-2;+4","","1999-07-08","2011-06-04","[ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)",""],["2IE","2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide","C26 H27 N3 O4","O=C(CC)N1CCCC(C1)c1cc(C(N)=O)c(Oc2ccc(Oc3ccccc3)cc2)nc1;CCC(=O)N1CCC[CH](C1)c2cnc(Oc3ccc(Oc4ccccc4)cc3)c(c2)C(N)=O;CCC(=O)N1CCCC(C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N","InChI=1S/C26H27N3O4/c1-2-24(30)29-14-6-7-18(17-29)19-15-23(25(27)31)26(28-16-19)33-22-12-10-21(11-13-22)32-20-8-4-3-5-9-20/h3-5,8-13,15-16,18H,2,6-7,14,17H2,1H3,(H2,27,31)/t18-/m0/s1","","2021-06-28","2024-09-27","2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide","2021-10-06"],["2IF","~{N}1,~{N}3-bis[4-[[(4~{R})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide","C52 H58 Br4 N8 O14 S2","ONC(=O)[CH](CCCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCC[CH](N[S](=O)(=O)c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C(=O)NO)N[S](=O)(=O)c4ccc(OCc5cc(Br)cc(Br)c5)cc4;c1cc(cc(c1)C(=O)NCCCC(=O)NCCCC(C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCCC(C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br","InChI=1S/C52H58Br4N8O14S2/c53-37-24-33(25-38(54)29-37)31-77-41-12-16-43(17-13-41)79(73,74)63-45(51(69)61-71)8-2-20-57-47(65)10-4-22-59-49(67)35-6-1-7-36(28-35)50(68)60-23-5-11-48(66)58-21-3-9-46(52(70)62-72)64-80(75,76)44-18-14-42(15-19-44)78-32-34-26-39(55)30-40(56)27-34/h1,6-7,12-19,24-30,45-46,63-64,71-72H,2-5,8-11,20-23,31-32H2,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t45-,46-/m1/s1","","2021-06-17","2021-10-22","~{N}1,~{N}3-bis[4-[[(4~{R})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide","2021-10-27"],["TG","2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one","C9 H11 N5 O7 P","NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)=O)[CH]3O;c1nc2c(n1C3C(C(CO3)OP(=O)(=O)O)O)N=C(NC2=O)N","InChI=1S/C9H11N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H,17,18,19)(H3,10,12,13,16)/t3-,5+,8+/m0/s1","","2018-10-23","2019-05-30","2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one","2019-06-05"],["2IG","6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE","C22 H25 N5 O","n1c(c(c(nc1N)N)c4ccc3c2ccccc2n(c3c4)CCCOC)CC;CCc1nc(N)nc(N)c1c2ccc3c(c2)n(CCCOC)c4ccccc34;CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC","InChI=1S/C22H25N5O/c1-3-17-20(21(23)26-22(24)25-17)14-9-10-16-15-7-4-5-8-18(15)27(19(16)13-14)11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H4,23,24,25,26)","","2006-02-21","2011-06-04","6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine",""],["TG0","(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide","C24 H26 N4 O3 S","O=C(c1cccc(N)c1C)N2CC(O)CC2C(=O)NCc4ccc(c3scnc3C)cc4;Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)c4cccc(N)c4C)cc2;Cc1c(cccc1N)C(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O","InChI=1S/C24H26N4O3S/c1-14-19(4-3-5-20(14)25)24(31)28-12-18(29)10-21(28)23(30)26-11-16-6-8-17(9-7-16)22-15(2)27-13-32-22/h3-9,13,18,21,29H,10-12,25H2,1-2H3,(H,26,30)/t18-,21+/m1/s1","","2012-09-05","2014-09-05","(4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide","2012-10-19"],["2IH","1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE)","C12 H18 N4","n1ccn(c1)CCCCCCn2ccnc2;C(CCCn1ccnc1)CCn2ccnc2;c1cn(cn1)CCCCCCn2ccnc2","InChI=1S/C12H18N4/c1(3-7-15-9-5-13-11-15)2-4-8-16-10-6-14-12-16/h5-6,9-12H,1-4,7-8H2","1,6-DI(IMIDAZOL-1-YL)HEXANE","2006-06-29","2021-03-13","1,1'-hexane-1,6-diylbis(1H-imidazole)",""],["TG1","OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z),\n9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX\nY]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER","C34 H50 O12","O=C3OC2C1=C(C(OC(=O)C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C3(O)C)C)C;CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCC)C;CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O","InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1","THAPSIGARGIN","2002-05-30","2020-06-17","(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate",""],["TG2","4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid","C18 H17 N O4","OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O","InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1","","2020-12-22","2021-09-17","4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid","2021-09-22"],["2II","2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one","C31 H31 N5 O3","CCC(=O)N1CC[CH](C1)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4;CCC(=O)N1CCC(C1)n2cc(c(n2)c3cccc(c3)OCc4ccc5c(c4)CN(C5=O)C)c6ccncc6","InChI=1S/C31H31N5O3/c1-3-29(37)35-14-11-25(18-35)36-19-28(22-9-12-32-13-10-22)30(33-36)23-5-4-6-26(16-23)39-20-21-7-8-27-24(15-21)17-34(2)31(27)38/h4-10,12-13,15-16,19,25H,3,11,14,17-18,20H2,1-2H3/t25-/m0/s1","","2023-07-11","2024-09-27","2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one","2024-06-05"],["TG3","ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate","C33 H52 N4 O8","CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc2ccccc2)[CH](C)OC(C)(C)C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc2ccccc2","InChI=1S/C33H52N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-13,21-22,24-26,28H,8,14-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,24+,25-,26+,28+/m1/s1","","2020-06-05","2024-09-27","ethyl (4~{R})-4-[[(2~{S})-4-methyl-2-[[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate","2020-06-17"],["2IJ","5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide","C24 H24 N4 O3","N=CN1CCCC(C1)c1cc(C(N)=O)c(Oc2ccc(Oc3ccccc3)cc2)nc1;NC(=O)c1cc(cnc1Oc2ccc(Oc3ccccc3)cc2)[CH]4CCCN(C4)C=N;c1ccc(cc1)Oc2ccc(cc2)Oc3c(cc(cn3)C4CCCN(C4)C=N)C(=O)N","InChI=1S/C24H24N4O3/c25-16-28-12-4-5-17(15-28)18-13-22(23(26)29)24(27-14-18)31-21-10-8-20(9-11-21)30-19-6-2-1-3-7-19/h1-3,6-11,13-14,16-17,25H,4-5,12,15H2,(H2,26,29)/b25-16-/t17-/m1/s1","","2021-06-29","2024-09-27","5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide","2021-10-06"],["TG4","2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide","C14 H23 N3 O3 S","CCCCNCC(=O)NCCc1ccc(cc1)[S](N)(=O)=O;CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C14H23N3O3S/c1-2-3-9-16-11-14(18)17-10-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)(H2,15,19,20)","","2015-11-17","2015-12-31","2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide","2016-01-05"],["2IK","6-[(2S)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine","C22 H27 N5","n1c(N)cc(cc1CCc2cccc(c2)C(N)Cc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cccc(c2)[CH](N)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)N","InChI=1S/C22H27N5/c1-14-8-18(26-21(24)10-14)7-6-16-4-3-5-17(12-16)20(23)13-19-9-15(2)11-22(25)27-19/h3-5,8-12,20H,6-7,13,23H2,1-2H3,(H2,24,26)(H2,25,27)/t20-/m0/s1","","2014-03-15","2014-05-02","6-[(2S)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine","2014-05-07"],["2IL","(3R)-3-(dodecanoyloxy)tetradecanoic acid","C26 H50 O4","O=C(O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC;CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCC","InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(23-25(27)28)30-26(29)22-20-18-16-14-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,27,28)/t24-/m1/s1","","2012-07-10","2018-02-23","(3R)-3-(dodecanoyloxy)tetradecanoic acid","2018-02-28"],["TG5","2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide","C12 H19 N3 O3 S","CCCCNCC(=O)Nc1ccc(cc1)[S](N)(=O)=O;CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N","InChI=1S/C12H19N3O3S/c1-2-3-8-14-9-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)(H2,13,17,18)","","2015-11-17","2015-12-31","2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide","2016-01-05"],["TG6","6-O-phosphono-D-tagatose","C6 H13 O9 P","O=P(OCC(O)C(O)C(O)C(=O)CO)(O)O;OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1","","2013-07-16","2013-11-22","6-O-phosphono-D-tagatose","2013-11-27"],["2IM","PIPERIDIN-2-IMINE","C5 H10 N2","[N@H]=C1NCCCC1;N=C1CCCCN1;C1CCNC(=N)C1","InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)","","2005-09-12","2011-06-04","(2E)-piperidin-2-imine",""],["TG7","4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid","C21 H15 N3 O4","c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=O)cc2)c4ccccc4;OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1C(O)=O;c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O","InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)","","2020-03-20","2021-03-19","4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid","2021-03-24"],["2IN","N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE","C20 H25 N5 O5 S","O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)CO)Cc2ccccc2;NC(=N)c1ccc(CNC(=O)CNC(=O)[CH](CO)N[S](=O)(=O)Cc2ccccc2)cc1;c1ccc(cc1)CS(=O)(=O)NC(CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N","InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1","","2004-02-18","2011-06-04","N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide",""],["TG8","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate","C18 H22 N6 O11 P2","CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1","","2020-12-22","2021-06-04","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate","2021-06-09"],["2IO","(3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione","C12 H22 N2 O2","CC(C)C[CH]1NC(=O)[CH](CC(C)C)NC1=O;CC(C)CC1C(=O)NC(C(=O)N1)CC(C)C","InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1","cyclo(L-Leu-L-Leu); Leucinimid; 2,5-Piperazinedione, 3,6-bis(2-methylpropyl); 137006","2021-06-17","2021-08-20","(3~{S},6~{S})-3,6-bis(2-methylpropyl)piperazine-2,5-dione","2021-08-25"],["TG9","5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide","C17 H21 N3 S","NC(=N)c1sc(NC2CCCCC2)c(c1)c3ccccc3;c1ccc(cc1)c2cc(sc2NC3CCCCC3)C(=N)N","InChI=1S/C17H21N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,20H,2,5-6,9-10H2,(H3,18,19)","","2023-01-05","2023-07-28","5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide","2023-08-02"],["2IP","D-MYO-INOSITOL-1,4-BISPHOSPHATE","C6 H14 O12 P2","O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O","InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6+/m1/s1","","2001-03-27","2011-06-04","(1R,2R,3R,4S,5R,6S)-2,3,5,6-tetrahydroxycyclohexane-1,4-diyl bis[dihydrogen (phosphate)]",""],["TGA","2-sulfanylethyl beta-D-galactopyranoside","C8 H16 O6 S","OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O;C(CS)OC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1","2-sulfanylethyl beta-D-galactoside; 2-sulfanylethyl D-galactoside; 2-sulfanylethyl galactoside","2011-01-19","2025-12-01","(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol",""],["2IQ","2-(hexylamino)ethanoic acid","C8 H17 N O2","CCCCCCNCC(O)=O;CCCCCCNCC(=O)O","InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)","","2022-01-28","2024-09-27","2-(hexylamino)ethanoic acid","2022-08-31"],["TGB","[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid","C18 H23 N6 O13 P3 S","CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)n3cnc4c(N)ncnc34;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S","InChI=1S/C18H23N6O13P3S/c1-20-10-5-3-2-4-9(10)18(26)35-14-11(6-33-38(27,28)36-39(29,30)37-40(31,32)41)34-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,27,28)(H,29,30)(H2,19,21,22)(H2,31,32,41)/t11-,13-,14-,17-/m1/s1","","2020-12-22","2021-06-04","[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid","2021-06-09"],["2IR","N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine","C32 H37 F3 N6 O","CN(C)CCN1CCC(C1)n1cnc(c2ccc(cc2)C(F)(F)F)c1c1ccnc(Oc2cc(ccc2C)C(C)C)n1;CC(C)c1ccc(C)c(Oc2nccc(n2)c3n(cnc3c4ccc(cc4)C(F)(F)F)[CH]5CCN(CCN(C)C)C5)c1;Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C","InChI=1S/C32H37F3N6O/c1-21(2)24-7-6-22(3)28(18-24)42-31-36-14-12-27(38-31)30-29(23-8-10-25(11-9-23)32(33,34)35)37-20-41(30)26-13-15-40(19-26)17-16-39(4)5/h6-12,14,18,20-21,26H,13,15-17,19H2,1-5H3/t26-/m1/s1","","2021-06-29","2022-01-14","N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine","2022-01-19"],["TGC","3-thiaglutaryl-CoA","C25 H40 N7 O19 P3 S2","O=C(O)CSCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CSCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O","InChI=1S/C25H40N7O19P3S2/c1-25(2,20(38)23(39)28-4-3-14(33)27-5-6-56-16(36)9-55-8-15(34)35)10-48-54(45,46)51-53(43,44)47-7-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1","(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide","2007-09-14","2021-03-13","(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)",""],["2IT","(2Z)-2-iminopentanedioic acid","C5 H7 N O4","O=C(O)CCC(=[N@H])C(=O)O;OC(=O)CCC(=N)C(O)=O;C(CC(=O)O)C(=N)C(=O)O","InChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3-","","2015-01-28","2017-06-02","(2Z)-2-iminopentanedioic acid","2017-06-07"],["TGD","1-deoxy-D-tagatose","C6 H12 O5","CC(=O)C(O)C(O)C(CO)O;CC(=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)C(C(C(CO)O)O)O","InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1","","2015-03-26","2016-03-18","1-deoxy-D-tagatose","2016-03-23"],["2IU","[[(2R,3S,5R)-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C17 H19 N2 O15 P3","O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3oc4ccccc4c3;c1ccc2c(c1)cc(o2)C3=CN(C(=O)NC3=O)C4CC(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C17H19N2O15P3/c20-11-6-15(32-14(11)8-30-36(26,27)34-37(28,29)33-35(23,24)25)19-7-10(16(21)18-17(19)22)13-5-9-3-1-2-4-12(9)31-13/h1-5,7,11,14-15,20H,6,8H2,(H,26,27)(H,28,29)(H,18,21,22)(H2,23,24,25)/t11-,14+,15+/m0/s1","BFdUTP","2021-06-21","2022-06-24","[[(2~{R},3~{S},5~{R})-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2022-06-29"],["TGE","7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one","C24 H32 N6 O4","O=C2N(c3cc(ncc3N=C2NCCN1CCOCC1)c4ccc(OC)nc4)CCOCCC;CCCOCCN1C(=O)C(=Nc2cnc(cc12)c3ccc(OC)nc3)NCCN4CCOCC4;CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC","InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)","","2011-08-25","2011-11-04","7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one",""],["2IV","(3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","C16 H16 F N3 O2","Fc1cccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c12;c1cc2c(c(c1)F)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3","InChI=1S/C16H16FN3O2/c17-10-3-1-4-11-14(10)9(8-18-11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1","","2022-12-19","2023-04-21","(3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","2023-04-26"],["TGF","2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM\nINO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID","C30 H37 N9 O13","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O;NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N","InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1","TRIGLU-5-FORMYL-TETRAHYDROFOLATE","2002-12-02","2020-06-17","N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid",""],["2IW","4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide","C26 H21 N3 O3","O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O;Cc1ccnc2c(NC(=O)c3ccc(cc3)N4C(=O)[CH]5[CH]6C[CH](C=C6)[CH]5C4=O)cccc12;Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)C5C6CC(C5C4=O)C=C6","InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+","IWR-2","2012-03-06","2021-03-01","4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide",""],["TGG","GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE","C14 H21 N3 O10 S","O=C(O)C(SCC(NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)CC(=O)O;N[CH](CCC(=O)N[CH](CS[CH](CC(O)=O)C(O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSC(CC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C14H21N3O10S/c15-6(13(24)25)1-2-9(18)17-7(12(23)16-4-11(21)22)5-28-8(14(26)27)3-10(19)20/h6-8H,1-5,15H2,(H,16,23)(H,17,18)(H,19,20)(H,21,22)(H,24,25)(H,26,27)/t6-,7-,8+/m0/s1","","2003-09-08","2011-06-04","L-gamma-glutamyl-S-[(1R)-1,2-dicarboxyethyl]-L-cysteinylglycine",""],["2IX","N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide","C28 H37 F2 N11 O4","C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1;CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)c3cnc(N)nc3C(F)F)N4CCOCC4)C(=O)C5CCN(CC5)C(=O)C=C;CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C","InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33)","","2021-06-30","2024-09-27","N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide","2022-04-06"],["TGH","6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan","C13 H15 N3 O6","NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O;N[CH](Cc1c[nH]c2c(O)c(N[CH](O)C(O)=O)ccc12)C(O)=O;c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NC(C(=O)O)O","InChI=1S/C13H15N3O6/c14-7(12(19)20)3-5-4-15-9-6(5)1-2-8(10(9)17)16-11(18)13(21)22/h1-2,4,7,11,15-18H,3,14H2,(H,19,20)(H,21,22)/t7-,11-/m0/s1","","2020-01-29","2024-09-27","6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan","2020-04-08"],["2IY","3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile","C11 H8 Cl N3 S","CSc1[nH]nc(c2ccc(Cl)cc2)c1C#N;CSc1c(c(n[nH]1)c2ccc(cc2)Cl)C#N","InChI=1S/C11H8ClN3S/c1-16-11-9(6-13)10(14-15-11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)","","2021-06-22","2022-07-08","3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile","2022-07-13"],["TGI","Tiagabine","C20 H25 N O2 S2","Cc1ccsc1C(=CCCN1CCCC(C1)C(=O)O)c1sccc1C;Cc1ccsc1C(=CCCN2CCC[CH](C2)C(O)=O)c3sccc3C;Cc1ccsc1C(=CCCN2CCCC(C2)C(=O)O)c3c(ccs3)C","InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1","(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid; Gabitril","2021-10-20","2022-06-03","(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid","2022-06-08"],["2IZ","5-fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-N,N-di(propan-2-yl)benzamide","C33 H43 F N6 O3","CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC2)C(=O)C2NC3CC(=C)C2CC3)C1;CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4(CCN(CC4)C(=O)[CH]5N[CH]6CC[CH]5C(=C)C6)C3;CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)C(=O)C5C6CCC(N5)CC6=C)F","InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1","","2023-07-11","2026-04-24","5-fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-N,N-di(propan-2-yl)benzamide","2026-04-29"],["TGJ","1-deoxy-L-tagatose","C6 H12 O5","CC(C(C(O)C(CO)O)O)=O;CC(=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)C(C(C(CO)O)O)O","InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m0/s1","","2015-03-27","2016-03-18","1-deoxy-L-tagatose","2016-03-23"],["2J0","(10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","C39 H24 N12 Ru","Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81","InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-5-2-8-14-15(11)23-19-13-7-4-10-21-17(13)16-12(18(19)22-14)6-3-9-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h2-10H,1H3;2*1-6H;/q;;;+2","","2013-10-24","2014-09-19","(10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)","2014-09-24"],["TGK","1-deoxy-beta-L-tagatopyranose","C6 H12 O5","C1(C(C(C(CO1)O)O)O)(C)O;C[C]1(O)OC[CH](O)[CH](O)[CH]1O;CC1(C(C(C(CO1)O)O)O)O","InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1","1-deoxy-beta-L-tagatose; 1-deoxy-L-tagatose; 1-deoxy-tagatose","2015-03-27","2020-07-17","1-deoxy-beta-L-tagatopyranose","2016-03-23"],["2J1","6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid","C13 H12 Cl N O2","O=C(O)c1c(Cl)cc2c(c1)nc3c2CCCC3;OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl;c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3","InChI=1S/C13H12ClNO2/c14-10-5-8-7-3-1-2-4-11(7)15-12(8)6-9(10)13(16)17/h5-6,15H,1-4H2,(H,16,17)","","2013-10-24","2013-11-01","6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid","2013-11-06"],["TGL","TRISTEAROYLGLYCEROL","C57 H110 O6","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3","TRIACYLGLYCEROL","2003-12-02","2021-03-01","propane-1,2,3-triyl trioctadecanoate",""],["2J2","(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid","C13 H12 Cl N O2","O=C(O)C3c2c(c1c(ccc(Cl)c1)n2)CCC3;OC(=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23;c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)O","InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/t9-/m1/s1","","2013-10-24","2013-11-01","(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid","2013-11-06"],["2J3","(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol","C9 H20 O4","O(C(CO)C)CC(OCC(O)C)C;C[CH](O)CO[CH](C)CO[CH](C)CO;CC(CO)OCC(C)OCC(C)O","InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1","","2014-04-02","2014-12-05","(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol","2014-12-10"],["TGM","4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid","C21 H15 N3 O5","c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O;OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4O)cc1C(O)=O;c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O","InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29)","","2020-03-20","2021-03-19","4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid","2021-03-24"],["TGN","3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER","C16 H22 N O5 P","O=C(OC)C3C1N(C)C(CC1)CC3OP(=O)(O)c2ccccc2;COC(=O)[CH]1[CH](C[CH]2CC[CH]1N2C)O[P](O)(=O)c3ccccc3;CN1C2CCC1C(C(C2)OP(=O)(c3ccccc3)O)C(=O)OC","InChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1","","2005-08-12","2011-06-04","methyl (1R,2R,3S,5S)-3-{[(S)-hydroxy(phenyl)phosphoryl]oxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate",""],["2J4","(3aR,5R,6S,7R,7aR)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","C7 H12 N2 O4 S","N1=C(SC2OC(C(O)C(O)C12)CO)N;NC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;C(C1C(C(C2C(O1)SC(=N2)N)O)O)O","InChI=1S/C7H12N2O4S/c8-7-9-3-5(12)4(11)2(1-10)13-6(3)14-7/h2-6,10-12H,1H2,(H2,8,9)/t2-,3-,4-,5-,6-/m1/s1","","2008-06-13","2016-01-22","(3aR,5R,6S,7R,7aR)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2016-01-27"],["TGP","5'-THIO-2'-DEOXY-GUANOSINE PHOSPHONIC ACID","C10 H14 N5 O6 P S","O=P(O)(O)SCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CS[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)CSP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-23-22(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2001-12-05","2011-06-04","2'-deoxy-5'-S-phosphono-5'-thioguanosine",""],["2J5","2-{[(3-methylpyridin-2-yl)amino]methyl}phenol","C13 H14 N2 O","Oc1c(cccc1)CNc2ncccc2C;Cc1cccnc1NCc2ccccc2O;Cc1cccnc1NCc2ccccc2O","InChI=1S/C13H14N2O/c1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)","","2013-10-25","2013-12-27","2-{[(3-methylpyridin-2-yl)amino]methyl}phenol","2014-01-01"],["TGQ","(2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid","C20 H25 N7 O6","CN(C[CH]1CNC2=C(N1)C(=O)N=C(N)N2)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(CC1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H25N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,11,13,23H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,22,25,26,31)/t11-,13+/m1/s1","","2018-12-06","2019-01-25","(2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid","2019-01-30"],["2J6","5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol","C16 H13 F N4 O","Fc1ccc(c(O)c1)CNc2ncccc2c3ncccn3;Oc1cc(F)ccc1CNc2ncccc2c3ncccn3;c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3","InChI=1S/C16H13FN4O/c17-12-5-4-11(14(22)9-12)10-21-16-13(3-1-6-18-16)15-19-7-2-8-20-15/h1-9,22H,10H2,(H,18,21)","","2013-10-25","2013-12-27","5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol","2014-01-01"],["TGR","1-deoxy-alpha-D-xylo-hex-3-ulofuranose","C6 H12 O5","CC(C1(OCC(C1O)O)O)O;C[CH](O)[C]1(O)OC[CH](O)[CH]1O;CC(C1(C(C(CO1)O)O)O)O","InChI=1S/C6H12O5/c1-3(7)6(10)5(9)4(8)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5-,6-/m0/s1","1-deoxy 3-keto D-galactitol(Furanose form); 1-deoxy-alpha-D-xylo-hex-3-ulose; 1-deoxy-D-xylo-hex-3-ulose;\n1-deoxy-xylo-hex-3-ulose","2015-03-27","2020-07-17","1-deoxy-alpha-D-xylo-hex-3-ulofuranose","2016-03-23"],["2J7","2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol","C18 H18 N4 O2","n2c(NCc1ccccc1O)cc(nc2)NCc3ccccc3O;Oc1ccccc1CNc2cc(NCc3ccccc3O)ncn2;c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O","InChI=1S/C18H18N4O2/c23-15-7-3-1-5-13(15)10-19-17-9-18(22-12-21-17)20-11-14-6-2-4-8-16(14)24/h1-9,12,23-24H,10-11H2,(H2,19,20,21,22)","","2013-10-25","2013-12-13","2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol","2013-12-18"],["2J8","(4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","C24 H30 N6 O3 Se3","O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C;CC(C)[CH]1NC(=O)c2c[se]c(n2)[CH](NC(=O)c3c[se]c(n3)[CH](NC(=O)c4c[se]c1n4)C(C)C)C(C)C;CC(C)C1c2nc(c[se]2)C(=O)NC(c3nc(c[se]3)C(=O)NC(c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C","InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m0/s1","cyclic-tris-(S)-valineselenazole; QZ59-SSS","2013-10-25","2020-05-26","(4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","2013-11-13"],["TGS","1-deoxy-D-xylo-hex-3-ulose","C6 H12 O5","CC(O)C(C(C(CO)O)O)=O;C[CH](O)C(=O)[CH](O)[CH](O)CO;CC(C(=O)C(C(CO)O)O)O","InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1","1-deoxy 3-keto-D-galactitol","2015-03-27","2020-06-17","1-deoxy-D-xylo-hex-3-ulose","2016-03-23"],["2J9","4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","C10 H11 F N2 O2 S","Fc1ccc2c(c1)S(=O)(=O)NCN2C3CC3;Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3;c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3","InChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2","","2013-10-28","2013-11-15","4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","2013-11-20"],["TGT","TAGETITOXIN","C11 H17 N2 O11 P S","O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O;CC(=O)O[CH]1[CH](N)[CH](O[P](O)(O)=O)[C]2(CS[C](O)([CH]1O2)C(N)=O)C(O)=O;CC(=O)OC1C(C(C2(CSC(C1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N","InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1","(1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY\nLIC ACID","2005-11-01","2020-06-17","(1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name)",""],["TGU","TRIGALACTURONIC ACID","C18 H26 O19","C1(C(C(C(C(C(=O)O)O1)OC2C(C(C(C(C(O)=O)O2)OC3C(C(C(C(C(O)=O)O3)O)O)O)O)O)O)O)O;O[CH]1O[CH]([CH](O[CH]2O[CH]([CH](O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O)=O)[CH](O)[CH]2O)C(O)=O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)O)O)O)O)O)C(=O)O)O)O","InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17+,18-/m0/s1","","2007-08-08","2015-04-09","beta-D-galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronic acid",""],["2JA","[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid","C6 H14 O7 P2","CC(CO)=CCC[P](O)(=O)O[P](O)(O)=O;CC(=CCCP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C6H14O7P2/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12)/b6-3+","","2013-10-28","2014-04-18","[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid","2014-04-23"],["TGV","4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid","C20 H14 N4 O4","c2(c(n1ccncc1n2)Nc3cc(C(O)=O)c(C(O)=O)cc3)c4ccccc4;OC(=O)c1ccc(Nc2n3ccncc3nc2c4ccccc4)cc1C(O)=O;c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O","InChI=1S/C20H14N4O4/c25-19(26)14-7-6-13(10-15(14)20(27)28)22-18-17(12-4-2-1-3-5-12)23-16-11-21-8-9-24(16)18/h1-11,22H,(H,25,26)(H,27,28)","","2020-03-20","2021-03-19","4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid","2021-03-24"],["2JC","N-ethylglycine","C4 H9 N O2","O=C(O)CNCC;CCNCC(O)=O;CCNCC(=O)O","InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)","","2013-10-28","2024-09-27","N-ethylglycine","2013-11-06"],["2JD","(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid","C6 H13 O7 P","O=P(OCC(C(O)C(=O)O)(C)C)(O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)O)O","InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1","","2014-04-03","2014-09-05","(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid","2014-07-23"],["TGW","(2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one","C14 H11 Cl2 N3 O","CN1[CH](NC(=O)c2cccnc12)c3ccc(Cl)cc3Cl;CN1c2c(cccn2)C(=O)NC1c3ccc(cc3Cl)Cl","InChI=1S/C14H11Cl2N3O/c1-19-12-10(3-2-6-17-12)14(20)18-13(19)9-5-4-8(15)7-11(9)16/h2-7,13H,1H3,(H,18,20)/t13-/m1/s1","","2015-03-06","2015-07-24","(2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one","2015-07-29"],["2JE","S-(2-aminoethyl) 1H-imidazole-4-carbothioate","C6 H9 N3 O S","O=C(SCCN)c1ncnc1;NCCSC(=O)c1c[nH]cn1;c1c(nc[nH]1)C(=O)SCCN","InChI=1S/C6H9N3OS/c7-1-2-11-6(10)5-3-8-4-9-5/h3-4H,1-2,7H2,(H,8,9)","","2014-04-03","2014-09-05","S-(2-aminoethyl) 1H-imidazole-4-carbothioate","2014-07-23"],["TGX","7-methyl-2H-1,4-benzothiazin-3(4H)-one","C9 H9 N O S","O=C1Nc2c(SC1)cc(cc2)C;Cc1ccc2NC(=O)CSc2c1;Cc1ccc2c(c1)SCC(=O)N2","InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)","","2015-02-12","2015-05-08","7-methyl-2H-1,4-benzothiazin-3(4H)-one","2015-05-13"],["2JF","(2S)-2-amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate","C13 H24 N2 O5","O=CC(N)COC(=O)CCCNC(=O)C(O)CC(C)C;CC(C)C[CH](O)C(=O)NCCCC(=O)OC[CH](N)C=O;CC(C)CC(C(=O)NCCCC(=O)OCC(C=O)N)O","InChI=1S/C13H24N2O5/c1-9(2)6-11(17)13(19)15-5-3-4-12(18)20-8-10(14)7-16/h7,9-11,17H,3-6,8,14H2,1-2H3,(H,15,19)/t10-,11+/m1/s1","","2013-10-29","2024-09-27","(2S)-2-amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate","2014-02-19"],["TGY","1-deoxy-alpha-D-tagatopyranose","C6 H12 O5","C1(O)C(O)C(C(O)(C)OC1)O;C[C]1(O)OC[CH](O)[CH](O)[CH]1O;CC1(C(C(C(CO1)O)O)O)O","InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1","1-deoxy-alpha-D-tagatose; 1-deoxy-D-tagatose; 1-deoxy-tagatose","2015-03-26","2020-07-17","1-deoxy-alpha-D-tagatopyranose","2016-03-23"],["TGZ","(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","C20 H26 F N3 O9 S","OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O","InChI=1S/C20H26FN3O9S/c21-9-3-1-2-8(4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15+,16-,17+,18-,19+,20+/m1/s1","","2016-01-07","2016-06-24","(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","2016-06-29"],["2JG","(2S)-2-amino-3-oxopropyl hexanoate","C9 H17 N O3","O=CC(N)COC(=O)CCCCC;CCCCCC(=O)OC[CH](N)C=O;CCCCCC(=O)OCC(C=O)N","InChI=1S/C9H17NO3/c1-2-3-4-5-9(12)13-7-8(10)6-11/h6,8H,2-5,7,10H2,1H3/t8-/m1/s1","","2013-10-29","2024-09-27","(2S)-2-amino-3-oxopropyl hexanoate","2014-02-19"],["2JH","3-cyclobutyl-L-alanine","C7 H13 N O2","O=C(O)C(N)CC1CCC1;N[CH](CC1CCC1)C(O)=O;C1CC(C1)CC(C(=O)O)N","InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1","","2013-10-31","2024-09-27","3-cyclobutyl-L-alanine","2013-11-20"],["TH","THORIUM ION","Th","[Th+4];[Th+4];[Th+4]","InChI=1S/Th/q+4","","2015-04-23","2018-04-17","thorium(4+)","2015-08-05"],["TH0","4-MERCAPTOBENZENE-1,3-DIOL","C6 H6 O2 S","Oc1ccc(S)c(O)c1;Oc1ccc(S)c(O)c1;c1cc(c(cc1O)O)S","InChI=1S/C6H6O2S/c7-4-1-2-6(9)5(8)3-4/h1-3,7-9H","","2007-02-28","2011-06-04","4-sulfanylbenzene-1,3-diol",""],["2JI","(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid","C13 H15 N O2","O=C(O)Cc1c2cc(ccc2[NH]c1C)CC;CCc1ccc2[nH]c(C)c(CC(O)=O)c2c1;CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O","InChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16)","","2021-06-30","2022-01-07","(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid","2022-01-12"],["TH1","(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol","C14 H17 N O5 S","n1c3cc(ccc3sc1C2OC(CO)C(O)C(O)C2O)C;Cc1ccc2sc(nc2c1)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;Cc1ccc2c(c1)nc(s2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1","2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE; 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-BENZOTHIAZOLE","2004-10-05","2020-07-17","(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol",""],["2JJ","5-phosphono-D-norvaline","C5 H12 N O5 P","O=P(O)(O)CCCC(N)C(=O)O;N[CH](CCC[P](O)(O)=O)C(O)=O;C(CC(C(=O)O)N)CP(=O)(O)O","InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1","","2013-10-31","2014-03-07","5-phosphono-D-norvaline","2014-03-12"],["TH2","TESTOSTERONE HEMISUCCINATE","C23 H32 O5","O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)C;C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2OC(=O)CCC(O)=O;CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=CC(=O)CCC34C","InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1","4-OXO-4-{[(8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA,17ALPHA)-3-OXOANDROST-4-EN-17-YL]OXY}BUTANOIC ACID","2006-01-06","2021-03-13","4-oxo-4-{[(8alpha,10alpha,13alpha,14beta,17alpha)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid",""],["2JK","4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid","C12 H11 N O3","O=C(O)c1nc2cc(cc(c2c(O)c1)C)C;Cc1cc(C)c2c(O)cc(nc2c1)C(O)=O;Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C","InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)13-9(12(15)16)5-10(11)14/h3-5H,1-2H3,(H,13,14)(H,15,16)","","2013-10-31","2014-03-07","4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid","2014-03-12"],["TH3","TRANS DELTA2 PALMITENOYL-COENZYMEA","C37 H64 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)/C=C/CCCCCCCCCCCCC;CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+","","2007-03-30","2017-12-20","S-{17-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-hexadec-2-enethioate (non-preferred name)",""],["2JL","(2S,3R)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid","C21 H18 N2 O5","O=C(c3cc2ccc1ccccc1c2cc3)N4C(C(=O)O)C(C(=O)O)NCC4;OC(=O)[CH]1NCCN([CH]1C(O)=O)C(=O)c2ccc3c(ccc4ccccc34)c2;c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCNC(C4C(=O)O)C(=O)O","InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1","","2013-10-31","2014-03-07","(2S,3R)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid","2014-03-12"],["2JM","2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol","C10 H5 Br4 N O","Brc2c(c1cccc(Br)c1O)nc(Br)c2Br;Oc1c(Br)cccc1c2[nH]c(Br)c(Br)c2Br;c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br","InChI=1S/C10H5Br4NO/c11-5-3-1-2-4(9(5)16)8-6(12)7(13)10(14)15-8/h1-3,15-16H","","2013-11-01","2014-01-24","2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol","2014-01-29"],["TH4","{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide","C10 H9 Cl N4 S","Clc1ncc(cc1)CN2C(=NC#N)SCC2;Clc1ccc(CN2CCSC2=NC#N)cn1;c1cc(ncc1CN2CCSC2=NC#N)Cl","InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-","","2008-02-11","2011-06-04","{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide",""],["2JN","2-methyl-D-norleucine","C7 H15 N O2","O=C(O)C(N)(CCCC)C;CCCC[C](C)(N)C(O)=O;CCCCC(C)(C(=O)O)N","InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1","","2013-11-01","2024-09-27","2-methyl-D-norleucine","2014-02-19"],["TH5","O-acetyl-L-threonine","C6 H11 N O4","O=C(OC(C(N)C(=O)O)C)C;C[CH](OC(C)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC(=O)C","InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1","","2008-08-01","2024-09-27","O-acetyl-L-threonine",""],["TH6","4-HYDROXY-L-THREONINE","C4 H9 N O4","O=C(O)C(N)C(O)CO;N[CH]([CH](O)CO)C(O)=O;C(C(C(C(=O)O)N)O)O","InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1","","2009-10-22","2024-09-27","4-hydroxy-L-threonine",""],["2JP","4-(isoquinolin-3-ylamino)-4-oxobutanoic acid","C13 H12 N2 O3","O=C(O)CCC(=O)Nc2ncc1ccccc1c2;OC(=O)CCC(=O)Nc1cc2ccccc2cn1;c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O","InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)","","2013-11-06","2020-12-25","4-(isoquinolin-3-ylamino)-4-oxobutanoic acid","2020-12-30"],["TH7","2,4-dihydroxybenzenesulfenic acid","C6 H6 O3 S","OSc1ccc(O)cc1O;c1cc(c(cc1O)O)SO","InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H","4-HYDROXYSULFANYLBENZENE-1,3-DIOL","2009-12-22","2020-06-17","4-hydroxysulfanylbenzene-1,3-diol",""],["2JQ","2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid","C15 H11 F3 N2 O3","O=C(Nc1nc(ccc1)C)c2ccc(cc2C(=O)O)C(F)(F)F;Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1;Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F","InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)","","2013-11-06","2014-01-17","2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid","2014-01-22"],["TH8","THIAMPHENICOL","C12 H15 Cl2 N O5 S","ClC(Cl)C(=O)NC(C(O)c1ccc(cc1)S(=O)(=O)C)CO;C[S](=O)(=O)c1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl;CS(=O)(=O)c1ccc(cc1)C(C(CO)NC(=O)C(Cl)Cl)O","InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1","","2008-08-28","2011-06-04","2,2-dichloro-N-{(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide",""],["2JR","5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole","C21 H25 N3 S","n1cc(sc1c3cc2ccnc2cc3)C5(N4CCCC4)CCCCC5;C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5[nH]ccc5c4;c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5","InChI=1S/C21H25N3S/c1-2-9-21(10-3-1,24-12-4-5-13-24)19-15-23-20(25-19)17-6-7-18-16(14-17)8-11-22-18/h6-8,11,14-15,22H,1-5,9-10,12-13H2","","2013-11-07","2014-05-09","5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole","2014-05-14"],["TH9","(2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid","C19 H27 N O5","O=C(O)C(O)=CC(=O)NCCCc1cc(OCCCCCC)ccc1;CCCCCCOc1cccc(CCCNC(=O)C=C(O)C(O)=O)c1;CCCCCCOc1cccc(c1)CCCNC(=O)C=C(C(=O)O)O","InChI=1S/C19H27NO5/c1-2-3-4-5-12-25-16-10-6-8-15(13-16)9-7-11-20-18(22)14-17(21)19(23)24/h6,8,10,13-14,21H,2-5,7,9,11-12H2,1H3,(H,20,22)(H,23,24)/b17-14-","BPH-1063","2011-08-24","2020-06-17","(2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid",""],["2JT","1,3-dihydroxypropan-2-yl octadecanoate","C21 H42 O4","O=C(OC(CO)CO)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO;CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO","InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3","2-Stearoylglycerol; 2-Monostearin","2013-11-08","2020-05-26","1,3-dihydroxypropan-2-yl octadecanoate","2014-04-23"],["2JU","2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","C21 H22 N3 O9 P","O=P(O)(O)OCC4OC(N3C(=O)NC(=O)C(C(=O)NCc2c1ccccc1ccc2)=C3)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCc3cccc4ccccc34)C(=O)NC2=O;c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C21H22N3O9P/c25-16-8-18(33-17(16)11-32-34(29,30)31)24-10-15(20(27)23-21(24)28)19(26)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10,16-18,25H,8-9,11H2,(H,22,26)(H,23,27,28)(H2,29,30,31)/t16-,17+,18+/m0/s1","","2013-11-12","2014-01-17","2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","2014-01-22"],["THA","TACRINE","C13 H14 N2","n1c3c(c(c2c1cccc2)N)CCCC3;Nc1c2CCCCc2nc3ccccc13;c1ccc2c(c1)c(c3c(n2)CCCC3)N","InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)","","1999-07-08","2011-06-04","1,2,3,4-tetrahydroacridin-9-amine",""],["2JV","N-(8-aminopyren-1-yl)-2'-deoxy-5'-O-(trihydroxy-lambda~5~-phosphanyl)guanosine","C26 H25 N6 O7 P","O=C5c6ncn(c6N=C(Nc4c1c3c2c(cc1)c(N)ccc2ccc3cc4)N5)C7OC(C(O)C7)COP(O)(O)O;Nc1ccc2ccc3ccc(NC4=Nc5n(cnc5C(=O)N4)[CH]6C[CH](O)[CH](CO[PH](O)(O)O)O6)c7ccc1c2c37;c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6C7CC(C(O7)COP(O)(O)O)O)C(=O)N5","InChI=1S/C26H25N6O7P/c27-16-7-3-12-1-2-13-4-8-17(15-6-5-14(16)21(12)22(13)15)29-26-30-24-23(25(34)31-26)28-11-32(24)20-9-18(33)19(39-20)10-38-40(35,36)37/h1-8,11,18-20,33,35-37,40H,9-10,27H2,(H2,29,30,31,34)/t18-,19+,20+/m0/s1","","2013-11-12","2015-09-11","N-(8-aminopyren-1-yl)-2'-deoxy-5'-O-(trihydroxy-lambda~5~-phosphanyl)guanosine","2015-09-16"],["THB","TETRAHYDROBIOPTERIN","C9 H15 N5 O3","O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C;C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N;CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O","InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1/f/h11,14H,10H2","5,6,7,8-TETRAHYDROBIOPTERIN","1999-11-17","2008-10-14","(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one",""],["THC","N-METHYLCARBONYLTHREONINE","C6 H11 N O4","O=C(O)C(NC(=O)C)C(O)C;C[CH](O)[CH](NC(C)=O)C(O)=O;CC(C(C(=O)O)NC(=O)C)O","InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1","","1999-07-08","2024-09-27","N-acetyl-L-threonine",""],["2JW","1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","C17 H18 N3 O10 P","[O-][N+](=O)c1ccc(cc1)C3(OCC4OC(N2C=C(C(=O)NC2=O)C)CC4O3)P(=O)(O)O;CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccc(cc4)[N+]([O-])=O)[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O","InChI=1S/C17H18N3O10P/c1-9-7-19(16(22)18-15(9)21)14-6-12-13(29-14)8-28-17(30-12,31(25,26)27)10-2-4-11(5-3-10)20(23)24/h2-5,7,12-14H,6,8H2,1H3,(H,18,21,22)(H2,25,26,27)/t12-,13-,14-,17-/m1/s1","","2013-11-12","2014-09-05","1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","2014-09-10"],["THD","2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN\nDIPHOSPHATE","C14 H22 N4 O9 P2 S","O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)CO)N(C=1C)Cc2cnc(nc2N)C;Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)SC2=C(O)CO)C)c(N)n1;Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CO)O)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11+","({ALPHA,BETA}-DIHYDROXYETHYL)-THIAMIN DIPHOSPHATE","2001-11-09","2020-06-17","2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate",""],["2JX","5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione","C10 H9 N3 O2 S","S=C1NN=C(N1)C2Oc3ccccc3OC2;S=C1NN=C(N1)[CH]2COc3ccccc3O2;c1ccc2c(c1)OCC(O2)C3=NNC(=S)N3","InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m0/s1","","2013-11-13","2024-09-27","5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione","2014-09-17"],["THE","THREONATE ION","C4 H7 O5","[O-]C(=O)C(O)C(O)CO;OC[CH](O)[CH](O)C([O-])=O;C(C(C(C(=O)[O-])O)O)O","InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m1/s1","","1999-07-08","2011-06-04","(2S,3R)-2,3,4-trihydroxybutanoate",""],["2JY","5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid","C12 H8 Cl2 O4","O=C(O)c1oc(cc1)COc2c(Cl)c(Cl)ccc2;OC(=O)c1oc(COc2cccc(Cl)c2Cl)cc1;c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O","InChI=1S/C12H8Cl2O4/c13-8-2-1-3-9(11(8)14)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16)","","2013-11-13","2014-11-14","5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid","2014-11-19"],["THF","5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID","C20 H23 N7 O7","O=C(O)C(NC(=O)c1ccc(cc1)NCC3C=NC=2NC(=NC(=O)C=2N3CO)N)CCC(=O)O;NC1=NC(=O)C2=C(N1)N=C[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2CO;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C=NC3=C(N2CO)C(=O)N=C(N3)N","InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1","","1999-07-08","2011-06-04","N-{[4-({[(6S)-2-amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["2JZ","N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine","C28 H26 F N7 O2","Fc1ccccc1CCNc2nc(nc(n2)Nc3ccc(OC)c(OC)c3)Nc5cc4cccnc4cc5;COc1ccc(Nc2nc(NCCc3ccccc3F)nc(Nc4ccc5ncccc5c4)n2)cc1OC;COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F","InChI=1S/C28H26FN7O2/c1-37-24-12-10-21(17-25(24)38-2)33-28-35-26(31-15-13-18-6-3-4-8-22(18)29)34-27(36-28)32-20-9-11-23-19(16-20)7-5-14-30-23/h3-12,14,16-17H,13,15H2,1-2H3,(H3,31,32,33,34,35,36)","","2009-05-04","2011-06-04","N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine",""],["2K0","[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone","C23 H22 Cl N5 O2","Clc1ccc(cc1C(=O)c5c4cc(c2cn(nc2)C3CCNCC3)cnc4nc5)CO;OCc1ccc(Cl)c(c1)C(=O)c2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5;c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl","InChI=1S/C23H22ClN5O2/c24-21-2-1-14(13-30)7-19(21)22(31)20-11-27-23-18(20)8-15(9-26-23)16-10-28-29(12-16)17-3-5-25-6-4-17/h1-2,7-12,17,25,30H,3-6,13H2,(H,26,27)","","2014-04-07","2014-09-05","[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone","2014-09-10"],["THG","(6S)-5,6,7,8-TETRAHYDROFOLATE","C19 H23 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC(=NC=2NC3)N)CCC(=O)O;NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N","InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1","","2002-02-26","2011-06-04","N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["2K1","5-methylfuran-2-carboxylic acid","C6 H6 O3","O=C(O)c1oc(cc1)C;Cc1oc(cc1)C(O)=O;Cc1ccc(o1)C(=O)O","InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)","","2013-11-13","2014-11-14","5-methylfuran-2-carboxylic acid","2014-11-19"],["THH","N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID","C20 H25 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(c3c(nc(nc3NC2)N)O)C)CCC(=O)O;CN1[CH](CNc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)CNc3nc(N)nc(O)c13;CN1c2c(nc(nc2O)N)NCC1CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1","5-METHYLTETRAHYDROFOLATE","2004-11-16","2020-06-17","N-{[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["THI","THIAZOLO-3-PHENYLISOINDOL-1-ONE","C16 H13 N O S","O=C2c1c(cccc1)C3(SCCN23)c4ccccc4;O=C1N2CCS[C]2(c3ccccc3)c4ccccc14;c1ccc(cc1)C23c4ccccc4C(=O)N2CCS3","InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/t16-/m0/s1","","1999-07-08","2011-06-04","(9bS)-9b-phenyl-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one",""],["2K2","PKC412","C35 H30 N4 O4","O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C;CO[CH]1[CH](C[CH]2O[C]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9;CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC","InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1","N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon\na[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide","2013-11-13","2020-06-17","N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide","2015-04-01"],["THJ","THIOSULFATE","O3 S2","[O-]S([S-])(=O)=O;[O-][S]([S-])(=O)=O;[O-]S(=O)(=O)[S-]","InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2","","1999-07-08","2024-09-27","thiosulfate",""],["2K3","3-OXO-5-METHYLHEXANOIC ACID","C7 H12 O3","O=C(CC(C)C)CC(=O)O;CC(C)CC(=O)CC(O)=O;CC(C)CC(=O)CC(=O)O","InChI=1S/C7H12O3/c1-5(2)3-6(8)4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)","","2012-02-29","2024-09-27","5-methyl-3-oxohexanoic acid","2017-07-05"],["THK","4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL","C23 H27 Cl F N O S2","Clc1ccc(cc1)C2(O)CCN(CC2)CCCC3(SCCS3)c4ccc(F)cc4;OC1(CCN(CCCC2(SCCS2)c3ccc(F)cc3)CC1)c4ccc(Cl)cc4;c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F","InChI=1S/C23H27ClFNOS2/c24-20-6-2-18(3-7-20)22(27)11-14-26(15-12-22)13-1-10-23(28-16-17-29-23)19-4-8-21(25)9-5-19/h2-9,27H,1,10-17H2","","1999-07-08","2011-06-04","4-(4-chlorophenyl)-1-{3-[2-(4-fluorophenyl)-1,3-dithiolan-2-yl]propyl}piperidin-4-ol",""],["2K4","1H-INDAZOL-6-OL","C7 H6 N2 O","n2cc1ccc(O)cc1n2;Oc1ccc2cn[nH]c2c1;c1cc2cn[nH]c2cc1O","InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)","","2011-03-25","2011-06-10","1H-indazol-6-ol",""],["THL","N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID","C19 H23 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(NC(=NC2=O)N)NC3)CCC(=O)O;NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)N=C(N3)N","InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1","TETRAHYDROFOLIC ACID; TETRAHYDROFOLATE; 5,6,7,8-TETRAHYDROFOLIC ACID","2004-08-24","2012-05-10","N-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["2K5","N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine","C22 H25 N7 O3","O(c1cc(cc(OC)c1)CCc2cc(nn2)Nc3nc(ncc3)NCc4onc(c4)C)C;COc1cc(CCc2[nH]nc(Nc3ccnc(NCc4onc(C)c4)n3)c2)cc(OC)c1;Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC","InChI=1S/C22H25N7O3/c1-14-8-19(32-29-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-17(30-2)12-18(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)","","2013-11-14","2013-12-13","N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine","2013-12-18"],["THM","THYMIDINE","C10 H14 N2 O5","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO;CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1","DEOXYTHYMIDINE; 2'-DEOXYTHYMIDINE","1999-07-08","2024-12-02","thymidine",""],["2K6","(3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile","C13 H15 N O2","O=C(C)CC(c1ccc(OC)cc1)CC#N;COc1ccc(cc1)[CH](CC#N)CC(C)=O;CC(=O)CC(CC#N)c1ccc(cc1)OC","InChI=1S/C13H15NO2/c1-10(15)9-12(7-8-14)11-3-5-13(16-2)6-4-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1","","2014-04-08","2015-03-27","(3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile","2015-04-01"],["THN","2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C14 H14 N2 O5 S2","O=C(O)C(NC(=O)Cc1sccc1)C2=NC(C(=C)CS2)C(=O)O;OC(=O)[CH](NC(=O)Cc1sccc1)C2=N[CH](C(O)=O)C(=C)CS2;C=C1CSC(=NC1C(=O)O)C(C(=O)O)NC(=O)Cc2cccs2","InChI=1S/C14H14N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,10-11H,1,5-6H2,(H,15,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1","HYDROLYZED CEPHALOTHIN","2002-02-07","2020-06-17","(4S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid",""],["2K7","N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine","C22 H25 N7 O3","O(c1ccc(cc1OC)CCc2nnc(c2)Nc3nc(ncc3)NCc4onc(c4)C)C;COc1ccc(CCc2cc([nH]n2)Nc3ccnc(NCc4onc(C)c4)n3)cc1OC;Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC","InChI=1S/C22H25N7O3/c1-14-10-17(32-29-14)13-24-22-23-9-8-20(26-22)25-21-12-16(27-28-21)6-4-15-5-7-18(30-2)19(11-15)31-3/h5,7-12H,4,6,13H2,1-3H3,(H3,23,24,25,26,27,28)","","2013-11-14","2013-12-13","N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine","2013-12-18"],["2K8","(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid","C7 H9 N5 O3","O=C(O)C2NC1=C(N=C(N)NC1=O)NC2;NC1=NC2=C(N[CH](CN2)C(O)=O)C(=O)N1;C1C(NC2=C(N1)N=C(NC2=O)N)C(=O)O","InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/t2-/m1/s1","6-carboxy-5,6,7,8-tetrahydropterin","2013-11-14","2021-03-13","(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid","2013-12-25"],["THO","REDUCED THREONINE","C4 H11 N O2","OCC(N)C(O)C;C[CH](O)[CH](N)CO;CC(C(CO)N)O","InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1","","1999-07-08","2024-09-27","(2R,3R)-2-aminobutane-1,3-diol",""],["THP","THYMIDINE-3',5'-DIPHOSPHATE","C10 H16 N2 O11 P2","O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)O","InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","thymidine 3',5'-bis(dihydrogen phosphate)",""],["2K9","9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one","C19 H11 N3 O","O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45;O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15;c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5","InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H","","2013-11-14","2015-03-20","9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one","2015-03-25"],["THQ","PHOSPHORIC ACID MONO-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL] ESTER","C6 H10 N O4 P S","O=P(OCCc1scnc1C)(O)O;Cc1ncsc1CCO[P](O)(O)=O;Cc1c(scn1)CCOP(=O)(O)O","InChI=1/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)/f/h8-9H","","2000-04-12","2008-10-14","2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate",""],["2KA","2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid","C7 H6 N4 O3","O=C(O)c1cnc2N=C(N)NC(=O)c12;NC1=Nc2[nH]cc(C(O)=O)c2C(=O)N1;c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O","InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)","","2013-11-14","2025-04-29","2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid","2013-12-25"],["2KB","4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile","C31 H49 N O4","N#CCCCOC3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](OCCCC#N)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCC#N)O)C","InChI=1S/C31H49NO4/c1-21(10-8-16-30(3,4)35)25-14-15-26-23(11-9-17-31(25,26)5)12-13-24-20-27(33)29(28(34)22(24)2)36-19-7-6-18-32/h12-13,21,25-29,33-35H,2,6-11,14-17,19-20H2,1,3-5H3/b23-12+,24-13-/t21-,25-,26+,27-,28-,29+,31-/m1/s1","","2014-04-08","2015-04-03","4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile","2015-04-08"],["THR","THREONINE","C4 H9 N O3","O=C(O)C(N)C(O)C;C[CH](O)[CH](N)C(O)=O;CC(C(C(=O)O)N)O","InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1","","1999-07-08","2023-11-03","L-threonine",""],["2KC","3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol","C19 H23 Br N6 O","Brc1cc(cc(O)c1)Nc2ncnn3ccc(c23)CN4CCC(N)(C)CC4;CC1(N)CCN(CC1)Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23;CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N","InChI=1S/C19H23BrN6O/c1-19(21)3-6-25(7-4-19)11-13-2-5-26-17(13)18(22-12-23-26)24-15-8-14(20)9-16(27)10-15/h2,5,8-10,12,27H,3-4,6-7,11,21H2,1H3,(H,22,23,24)","","2013-11-18","2014-01-31","3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol","2014-02-05"],["THS","THYMIDINE-5'-(DITHIO)PHOSPHATE","C10 H15 N2 O6 P S2","O=P(S)(S)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](S)(S)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(S)S)O","InChI=1S/C10H15N2O6PS2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","5'-O-[(dithiophosphono)]thymidine",""],["THT","TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER","C20 H39 N O2 S","O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O;CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C","InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22)","C16-FATTY-ACYL-SUBSTRATE-MIMIC","1999-07-19","2020-06-17","S-[2-(acetylamino)ethyl] hexadecanethioate",""],["2KD","6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid","C27 H21 Cl N2 O6","O=C(OC)C(NC(=O)c1nc2ccc(cc2c(c1)C(=O)O)c3cccc(Cl)c3)Cc4ccc(O)cc4;COC(=O)[CH](Cc1ccc(O)cc1)NC(=O)c2cc(C(O)=O)c3cc(ccc3n2)c4cccc(Cl)c4;COC(=O)C(Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O","InChI=1S/C27H21ClN2O6/c1-36-27(35)24(11-15-5-8-19(31)9-6-15)30-25(32)23-14-21(26(33)34)20-13-17(7-10-22(20)29-23)16-3-2-4-18(28)12-16/h2-10,12-14,24,31H,11H2,1H3,(H,30,32)(H,33,34)/t24-/m0/s1","","2013-11-18","2013-11-22","6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid","2013-11-27"],["THU","TETRAHYDRODEOXYURIDINE","C9 H14 N2 O5","O=C1N(CCC(=O)N1)C2OC(C(O)C2)CO;OC[CH]1O[CH](C[CH]1O)N2CCC(=O)NC2=O;C1CN(C(=O)NC1=O)C2CC(C(O2)CO)O","InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1","","2001-08-24","2011-06-04","2'-deoxyuridine",""],["2KE","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide","C29 H33 N5 O5 S","O=S(=O)(N)c1cccc(c1)CNC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N;CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)NCc4cccc(c4)[S](N)(=O)=O;CCOc1cc(ccc1OC(C)C)C(C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N","InChI=1S/C29H33N5O5S/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(34-22-9-10-24-20(15-22)12-13-32-28(24)30)29(35)33-17-19-6-5-7-23(14-19)40(31,36)37/h5-16,18,27,34H,4,17H2,1-3H3,(H2,30,32)(H,33,35)(H2,31,36,37)/t27-/m1/s1","","2013-11-18","2014-01-03","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide","2014-01-08"],["2KF","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide","C32 H38 N4 O5 S","O=S(=O)(c1ccccc1CNC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N)C(C)C;CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)NCc4ccccc4[S](=O)(=O)C(C)C;CCOc1cc(ccc1OC(C)C)C(C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N","InChI=1S/C32H38N4O5S/c1-6-40-28-18-23(11-14-27(28)41-20(2)3)30(36-25-12-13-26-22(17-25)15-16-34-31(26)33)32(37)35-19-24-9-7-8-10-29(24)42(38,39)21(4)5/h7-18,20-21,30,36H,6,19H2,1-5H3,(H2,33,34)(H,35,37)/t30-/m1/s1","","2013-11-18","2014-01-03","(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide","2014-01-08"],["THV","C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE","C16 H26 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc([C-](O)C(C)C)[n+](c1C)Cc2cnc(nc2N)C;CC(C)[C-](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,21H,5-6,8H2,1-4H3,(H,25,26)(H2,17,18,19)(H2,22,23,24)","","2004-11-30","2011-06-04","1-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylpropan-1-ide",""],["THW","C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE","C19 H24 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc2sc([C-](O)c1ccccc1)[n+](c2C)Cc3cnc(nc3N)C;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C-](O)c3ccccc3)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C19H24N4O8P2S/c1-12-16(8-9-30-33(28,29)31-32(25,26)27)34-19(17(24)14-6-4-3-5-7-14)23(12)11-15-10-21-13(2)22-18(15)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,28,29)(H2,20,21,22)(H2,25,26,27)","","2004-11-30","2011-06-04","{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}(hydroxy)phenylmethanide",""],["2KG","(4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one","C19 H21 N O4 S","O=S(=O)(c1cccc(c1)N3C(=O)C(C3c2ccccc2OC)(C)C)C;COc1ccccc1[CH]2N(c3cccc(c3)[S](C)(=O)=O)C(=O)C2(C)C;CC1(C(N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C","InChI=1S/C19H21NO4S/c1-19(2)17(15-10-5-6-11-16(15)24-3)20(18(19)21)13-8-7-9-14(12-13)25(4,22)23/h5-12,17H,1-4H3/t17-/m0/s1","","2013-11-18","2014-03-21","(4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one","2014-03-26"],["2KH","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine","C9 H16 N3 O14 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O","InChI=1S/C9H16N3O14P3/c13-5-1-2-12(9(16)10-5)8-7(15)6(14)4(25-8)3-24-27(17,18)11-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H,10,13,16)(H2,21,22,23)(H3,11,17,18,19,20)/t4-,6-,7-,8-/m1/s1","","2013-11-19","2013-12-13","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine","2013-12-18"],["THX","PHOSPHONIC ACID\n6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CA\nRBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER","C50 H53 N10 O12 P","O=C(N)N%11c1c(c2cc(nc2cc1)C(=O)N%10c3c(c4cc(nc4cc3)C(=O)N9c5c(c6cc(nc6cc5)C(=O)NCCCCCCOP(=O)(O)OCC8OC(N7C(=O)NC(=O)C(=C7)C)CC8O)CC9)CC%10)CC%11;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)OCCCCCCNC(=O)c3[nH]c4ccc5N(CCc5c4c3)C(=O)c6[nH]c7ccc8N(CCc8c7c6)C(=O)c9[nH]c%10ccc%11N(CCc%11c%10c9)C(N)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O","InChI=1S/C50H53N10O12P/c1-26-24-60(50(67)56-45(26)62)44-23-42(61)43(72-44)25-71-73(68,69)70-19-5-3-2-4-15-52-46(63)36-20-30-27-12-16-57(39(27)9-6-33(30)53-36)47(64)37-21-31-28-13-17-58(40(28)10-7-34(31)54-37)48(65)38-22-32-29-14-18-59(49(51)66)41(29)11-8-35(32)55-38/h6-11,20-22,24,42-44,53-55,61H,2-5,12-19,23,25H2,1H3,(H2,51,66)(H,52,63)(H,68,69)(H,56,62,67)/t42-,43+,44+/m0/s1","CDPI3","1999-07-08","2020-06-17","5'-O-[(S)-{[6-({[6-({6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hexyl]oxy}(hydroxy)phosphoryl]thymidine",""],["THY","C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE","C17 H28 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc([C-](O)C(C)CC)[n+](c1C)Cc2cnc(nc2N)C;CC[CH](C)[C-](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;CCC(C)[C-](c1[n+](c(c(s1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O","InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,22H,5-7,9H2,1-4H3,(H,26,27)(H2,18,19,20)(H2,23,24,25)/t10-/m0/s1","","2004-11-30","2012-01-05","(2S)-1-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylbutan-1-ide",""],["2KJ","N~5~-(N-ethoxycarbamimidoyl)-L-ornithine","C8 H18 N4 O3","O=C(O)C(N)CCCNC(=[N@H])NOCC;CCONC(=N)NCCC[CH](N)C(O)=O;CCONC(=N)NCCCC(C(=O)O)N","InChI=1S/C8H18N4O3/c1-2-15-12-8(10)11-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)/t6-/m0/s1","","2012-07-13","2013-05-10","N~5~-(N-ethoxycarbamimidoyl)-L-ornithine","2013-05-15"],["THZ","1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine","C13 H17 N5 O S","O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)C(=O)c1sc2ccccc2n1;c1ccc2c(c1)nc(s2)C(=O)C(CCCNC(=N)N)N","InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1","","1999-07-08","2024-09-27","1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine",""],["2KK","N~6~-(4-fluorobenzoyl)-L-lysine","C13 H17 F N2 O3","O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N;N[CH](CCCCNC(=O)c1ccc(F)cc1)C(O)=O;c1cc(ccc1C(=O)NCCCCC(C(=O)O)N)F","InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1","","2013-11-21","2024-09-27","N~6~-(4-fluorobenzoyl)-L-lysine","2014-10-01"],["2KL","2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide","C21 H23 Cl2 N5 O2 S","Clc4c(OCCN1CCCC1)cc(c2nc(nc3sc(cc23)C(=O)NCC)N)c(Cl)c4;CCNC(=O)c1sc2nc(N)nc(c3cc(OCCN4CCCC4)c(Cl)cc3Cl)c2c1;CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4","InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)","","2009-05-08","2011-06-04","2-amino-4-{2,4-dichloro-5-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide",""],["TI0","4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside","C14 H18 N2 O8","[O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(O)C(O)C1NC(C)=O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O;CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O","InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14+/m1/s1","","2022-07-21","2022-09-16","4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside","2022-09-21"],["TI1","[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA","C19 H28 N2 O4 S","O=C(O)C(NC(=O)C(NC(=O)C(S)CCCCC)Cc1ccccc1)C;CCCCC[CH](S)C(=O)N[CH](Cc1ccccc1)C(=O)N[CH](C)C(O)=O;CCCCCC(C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)O)S","InChI=1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1","","1999-07-08","2011-06-04","N-[(2S)-2-sulfanylheptanoyl]-L-phenylalanyl-L-alanine",""],["2KM","L-chiro-inositol 2,3,5-trisphosphate","C6 H15 O15 P3","O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4-,5-,6-/m1/s1","[(1R,2R,3R,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2023-05-23","2024-02-23","[(1~{R},2~{R},3~{R},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2024-02-28"],["TI2","(2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR","C27 H28 N2 O5 S","O=C(NC(C(=O)NC(C(=O)O)Cc1ccc(O)cc1)Cc2ccccc2)C(S)Cc3ccccc3;OC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](S)Cc3ccccc3;c1ccc(cc1)CC(C(=O)NC(Cc2ccc(cc2)O)C(=O)O)NC(=O)C(Cc3ccccc3)S","InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1","","1999-07-08","2011-06-04","N-[(2S)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-tyrosine",""],["2KN","N,N',N''-triethylbenzene-1,3,5-tricarboxamide","C15 H21 N3 O3","O=C(NCC)c1cc(cc(C(=O)NCC)c1)C(=O)NCC;CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC;CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC","InChI=1S/C15H21N3O3/c1-4-16-13(19)10-7-11(14(20)17-5-2)9-12(8-10)15(21)18-6-3/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)","","2013-11-20","2014-03-07","N,N',N''-triethylbenzene-1,3,5-tricarboxamide","2014-03-12"],["TI3","[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE)","C22 H24 N2 O4 S","O=C(N2C(C(=O)O)CCC2c1ccccc1)CNC(=O)C(S)Cc3ccccc3;OC(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccccc2)c3ccccc3;c1ccc(cc1)CC(C(=O)NCC(=O)N2C(CCC2C(=O)O)c3ccccc3)S","InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1","RB106","1999-07-08","2021-03-01","N-[(2S)-3-phenyl-2-sulfanylpropanoyl]glycyl-(5R)-5-phenyl-L-proline",""],["2KO","2-{2-[2-(2-{4-[(alpha-D-mannopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","C45 H61 N5 O12","O=C(OCCOCCOCCOCCn1nnc(c1)COC2OC(C(O)C(O)C2O)CO)c3ccccc3C5c6ccc(N(CC)CC)cc6Oc4cc(N(CC)CC)ccc45;CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCOCCOCCn5cc(CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)nn5;CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)COC6C(C(C(C(O6)CO)O)O)O)N(CC)CC","InChI=1S/C45H61N5O12/c1-5-48(6-2)31-13-15-35-37(25-31)61-38-26-32(49(7-3)8-4)14-16-36(38)40(35)33-11-9-10-12-34(33)44(55)59-24-23-58-22-21-57-20-19-56-18-17-50-27-30(46-47-50)29-60-45-43(54)42(53)41(52)39(28-51)62-45/h9-16,25-27,39-43,45,51-54H,5-8,17-24,28-29H2,1-4H3/t39-,41-,42+,43+,45+/m1/s1","","2014-04-08","2014-09-05","2-{2-[2-(2-{4-[(alpha-D-mannopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate","2014-08-27"],["TI4","(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane","C14 H18 N2","c1cc(cnc1)C2N3CC4CC2CC(C3)C4;C1[CH]2CC3C[CH]1CN(C2)[CH]3c4cccnc4;c1cc(cnc1)C2C3CC4CC(C3)CN2C4","InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1","","2015-06-01","2015-06-19","(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane","2015-06-24"],["2KP","N~6~-(4-bromobenzoyl)-L-lysine","C13 H17 Br N2 O3","O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N;N[CH](CCCCNC(=O)c1ccc(Br)cc1)C(O)=O;c1cc(ccc1C(=O)NCCCCC(C(=O)O)N)Br","InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1","","2013-11-21","2024-09-27","N~6~-(4-bromobenzoyl)-L-lysine","2014-10-01"],["TI5","5-methylpyrimidin-4-amine","C5 H7 N3","Cc1cncnc1N;Cc1cncnc1N","InChI=1S/C5H7N3/c1-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)","","2023-01-05","2023-06-02","5-methylpyrimidin-4-amine","2023-06-07"],["2KQ","\n(3S)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid","C25 H42 N7 O19 P3 S","O=C(O)CC(O)(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS[C](C)(O)CC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(C)(CC(=O)O)O)O","InChI=1S/C25H42N7O19P3S/c1-24(2,19(37)22(38)28-5-4-14(33)27-6-7-55-25(3,39)8-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-18(50-52(40,41)42)17(36)23(49-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,36-37,39H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,17-,18-,19+,23-,25+/m1/s1","","2013-11-20","2014-03-14","(3R,5R,9R,19S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,19-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)","2014-03-19"],["2KR","N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine","C19 H17 N5 O","n1cccc2nc(OC)n(c12)c4ccc(Nc3ncc(cc3)C)cc4;COc1nc2cccnc2n1c3ccc(Nc4ccc(C)cn4)cc3;Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC","InChI=1S/C19H17N5O/c1-13-5-10-17(21-12-13)22-14-6-8-15(9-7-14)24-18-16(4-3-11-20-18)23-19(24)25-2/h3-12H,1-2H3,(H,21,22)","","2014-04-09","2014-09-05","N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine","2014-07-23"],["TI6","[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol","C8 H17 N O3 S","CC1CCCN(C1CO)S(=O)(C)=O;C[CH]1CCCN([CH]1CO)[S](C)(=O)=O;CC1CCCN(C1CO)S(=O)(=O)C","InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1","","2023-08-28","2023-11-24","[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol","2023-11-29"],["TI7","3-(2-methylphenyl)benzoic acid","C14 H12 O2","Cc1ccccc1c2cccc(c2)C(O)=O;Cc1ccccc1c2cccc(c2)C(=O)O","InChI=1S/C14H12O2/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)","","2017-07-27","2018-01-05","3-(2-methylphenyl)benzoic acid","2018-01-10"],["2KS","1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine","C22 H27 N O","O(C/C=C/c1ccccc1)C3CCC(c2ccccc2)(CC3)CN;NC[C]1(CC[CH](CC1)OCC=Cc2ccccc2)c3ccccc3;c1ccc(cc1)C=CCOC2CCC(CC2)(CN)c3ccccc3","InChI=1S/C22H27NO/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/b10-7+/t21-,22-","","2013-11-20","2014-02-07","1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine","2014-02-12"],["2KT","2-KETOBUTYRIC ACID","C4 H6 O3","O=C(C(=O)O)CC;CCC(=O)C(O)=O;CCC(=O)C(=O)O","InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)","2-OXOBUTANOIC ACID","2003-12-10","2024-09-27","2-oxobutanoic acid",""],["TI8","3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate","C22 H25 Cl N6 O5","Nc1ncnc2n([CH]3O[CH](CCCOC(=O)C=C)[CH](O)[CH]3O)c(NCc4ccc(Cl)cc4)nc12;C=CC(=O)OCCCC1C(C(C(O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O","InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1","","2016-12-05","2017-02-24","3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate","2017-03-01"],["TI9","3-[(2S)-pyrrolidin-2-ylethynyl]pyridine","C11 H12 N2","C1CCNC1C#Cc2cnccc2;C1CN[CH](C1)C#Cc2cccnc2;c1cc(cnc1)C#CC2CCCN2","InChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1","","2015-05-13","2015-05-22","3-[(2S)-pyrrolidin-2-ylethynyl]pyridine","2015-05-27"],["2KU","N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE","C9 H13 N5 O","n2c1c(ncn1)c(nc2)NCCCOC;COCCCNc1ncnc2[nH]cnc12;COCCCNc1c2c([nH]cn2)ncn1","InChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)","","2011-03-25","2011-06-10","N-(3-methoxypropyl)-9H-purin-6-amine",""],["TIA","2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE","C9 H12 N2 O4 S","O=C(c1nc(sc1)C2OC(C(O)C2O)C)N;C[CH]1O[CH]([CH](O)[CH]1O)c2scc(n2)C(N)=O;CC1C(C(C(O1)c2nc(cs2)C(=O)N)O)O","InChI=1S/C9H12N2O4S/c1-3-5(12)6(13)7(15-3)9-11-4(2-16-9)8(10)14/h2-3,5-7,12-13H,1H3,(H2,10,14)/t3-,5-,6-,7-/m1/s1","","1999-07-08","2012-12-21","(1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-5-deoxy-D-ribitol",""],["2KV","1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one","C18 H25 Cl N2 O","Clc1cccc(c1)C3(CCC(N2C(=O)CCCC2)CC3)CN;NC[C]1(CC[CH](CC1)N2CCCCC2=O)c3cccc(Cl)c3;c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN","InChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18-","","2013-11-20","2014-02-07","1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one","2014-02-12"],["TIB","4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE","C16 H20 Cl N3 S","S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)CC=C(/C)C;C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(C)C)c23;CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C","InChI=1/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1/f/h18H","","1999-07-08","2008-10-14","(5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione",""],["2KW","3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile","C17 H11 Cl F3 N5 O3","FC(F)(F)C2=C(Oc1cc(C#N)cc(Cl)c1)C(=O)N(C=C2)CC3=NNC(=O)N3C;CN1C(=O)NN=C1CN2C=CC(=C(Oc3cc(Cl)cc(c3)C#N)C2=O)C(F)(F)F;CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F","InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)","Doravirine","2013-11-21","2022-10-03","3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile","2014-02-12"],["2KX","(1R,2R)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate","C20 H25 N O4","O=C(O)OC1CCCC1CCCCCc2nc3ccccc3cc2O;OC(=O)O[CH]1CCC[CH]1CCCCCc2nc3ccccc3cc2O;c1ccc2c(c1)cc(c(n2)CCCCCC3CCCC3OC(=O)O)O","InChI=1S/C20H25NO4/c22-18-13-15-8-4-5-10-16(15)21-17(18)11-3-1-2-7-14-9-6-12-19(14)25-20(23)24/h4-5,8,10,13-14,19,22H,1-3,6-7,9,11-12H2,(H,23,24)/t14-,19-/m1/s1","","2013-11-22","2019-01-25","(1R,2R)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate","2019-01-30"],["TIC","ticlopidine","C14 H14 Cl N S","Clc1ccccc1CN3CCc2sccc2C3;Clc1ccccc1CN2CCc3sccc3C2;c1ccc(c(c1)CN2CCc3c(ccs3)C2)Cl","InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2","5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine","2010-01-22","2020-06-17","5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine",""],["2KY","(2S)-amino(cyclopentyl)ethanoic acid","C7 H13 N O2","O=C(O)C(N)C1CCCC1;N[CH](C1CCCC1)C(O)=O;C1CCC(C1)C(C(=O)O)N","InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1","","2013-11-22","2024-09-27","(2S)-amino(cyclopentyl)ethanoic acid","2018-02-28"],["TID","4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid","C9 H7 N3 O2 S","O=C(O)c2ccc(c1nnc(s1)N)cc2;Nc1sc(nn1)c2ccc(cc2)C(O)=O;c1cc(ccc1c2nnc(s2)N)C(=O)O","InChI=1S/C9H7N3O2S/c10-9-12-11-7(15-9)5-1-3-6(4-2-5)8(13)14/h1-4H,(H2,10,12)(H,13,14)","","2011-04-20","2012-03-30","4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid",""],["TIE","(3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide","C26 H28 N6 O S","CSc1ccc(cc1)CNC(=O)C1CCCN(C1)c1ncnc2nn(cc12)c1ccc(C)cc1;CSc1ccc(CNC(=O)[CH]2CCCN(C2)c3ncnc4nn(cc34)c5ccc(C)cc5)cc1;Cc1ccc(cc1)n2cc3c(n2)ncnc3N4CCCC(C4)C(=O)NCc5ccc(cc5)SC","InChI=1S/C26H28N6OS/c1-18-5-9-21(10-6-18)32-16-23-24(30-32)28-17-29-25(23)31-13-3-4-20(15-31)26(33)27-14-19-7-11-22(34-2)12-8-19/h5-12,16-17,20H,3-4,13-15H2,1-2H3,(H,27,33)/t20-/m1/s1","","2022-07-25","2023-03-03","(3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide","2023-03-08"],["2KZ","2-amino maleic acid","C4 H5 N O4","O=C(O)C=C(N)C(=O)O;NC(=CC(O)=O)C(O)=O;C(=C(C(=O)O)N)C(=O)O","InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+","(2E)-2-aminobut-2-enedioic acid","2014-04-11","2020-06-17","(2E)-2-aminobut-2-enedioic acid","2015-03-11"],["TIF","N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C26 H35 N5 O4 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CC(C)C)CCC3;CC(C)C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CC(C)CC(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3","InChI=1S/C26H35N5O4S/c1-18(2)15-22(30-36(34,35)17-20-7-4-3-5-8-20)26(33)31-14-6-9-23(31)25(32)29-16-19-10-12-21(13-11-19)24(27)28/h3-5,7-8,10-13,18,22-23,30H,6,9,14-17H2,1-2H3,(H3,27,28)(H,29,32)/t22-,23+/m1/s1","","2011-12-19","2012-12-07","N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","2012-12-07"],["2L0","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide","C29 H49 N3 O6","O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)[CH](C)CO;CC(C)CC(C(C(C)CO)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1","PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form","2013-11-25","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide","2014-02-12"],["TIG","N-(2-aminoethyl)-L-tryptophan","C13 H17 N3 O2","O=C(O)C(NCCN)Cc2c1ccccc1nc2;NCCN[CH](Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NCCN","InChI=1S/C13H17N3O2/c14-5-6-15-12(13(17)18)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,15-16H,5-7,14H2,(H,17,18)/t12-/m0/s1","","2010-10-14","2024-09-27","N-(2-aminoethyl)-L-tryptophan",""],["2L1","2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline","C14 H17 N3","n1c(c(nc1)CN3Cc2c(cccc2)CC3)C;Cc1nc[nH]c1CN2CCc3ccccc3C2;Cc1c([nH]cn1)CN2CCc3ccccc3C2","InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)","","2013-11-25","2014-04-11","2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline","2014-04-16"],["2L2","2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","C14 H18 N4","n1c(c(nc1)CN3Cc2c(cccc2N)CC3)C;Cc1nc[nH]c1CN2CCc3cccc(N)c3C2;Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N","InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)","","2013-11-25","2014-04-11","2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine","2014-04-16"],["TIH","BETA(2-THIENYL)ALANINE","C7 H9 N O2 S","O=C(O)C(N)Cc1sccc1;N[CH](Cc1sccc1)C(O)=O;c1cc(sc1)CC(C(=O)O)N","InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1","","1999-07-08","2024-09-27","3-thiophen-2-yl-L-alanine",""],["TII","(5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane","C16 H25 N3 O","CN1CCCC12CN(CC2)c3cc(OC(C)C)cnc3;CC(C)Oc1cncc(c1)N2CC[C]3(CCCN3C)C2;CC(C)Oc1cc(cnc1)N2CCC3(C2)CCCN3C","InChI=1S/C16H25N3O/c1-13(2)20-15-9-14(10-17-11-15)19-8-6-16(12-19)5-4-7-18(16)3/h9-11,13H,4-8,12H2,1-3H3/t16-/m1/s1","","2015-04-30","2015-05-08","(5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane","2015-05-13"],["2L3","(2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid","C11 H10 O5 S","O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C;C[C]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O;CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O","InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1","menadione bisulfite","2013-11-25","2021-03-01","(2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid","2014-02-19"],["TIJ","5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one","C24 H17 N O4","Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35;c1ccc(cc1)Cn2cc(c3c2cccc3)C4=CC(=O)c5c(cc(cc5O4)O)O","InChI=1S/C24H17NO4/c26-16-10-20(27)24-21(28)12-22(29-23(24)11-16)18-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h1-12,14,26-27H,13H2","","2023-01-05","2023-11-17","5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one","2023-11-22"],["2L4","1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol","C11 H16 N4 O7","O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1;OC[CH](O)[CH](O)[CH](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1;C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=CC=O","InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1","5-(2-oxoethylideneamino)-6-D-ribitylaminouracil","2013-11-25","2024-09-27","1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol","2014-04-16"],["2L5","2-chloro-L-phenylalanine","C9 H10 Cl N O2","Clc1ccccc1CC(C(=O)O)N;N[CH](Cc1ccccc1Cl)C(O)=O;c1ccc(c(c1)CC(C(=O)O)N)Cl","InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","","2013-11-25","2024-09-27","2-chloro-L-phenylalanine","2014-10-15"],["TIK","dimethyl benzene-1,2-dicarboxylate","C10 H10 O4","COC(=O)c1ccccc1C(=O)OC;COC(=O)c1ccccc1C(=O)OC","InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3","Dimethyl phthalate","2023-04-22","2024-12-20","dimethyl benzene-1,2-dicarboxylate","2024-12-25"],["TIL","[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III)","C16 H13 Cr N O4","OC(=O)CCc1ccc2N|3=Cc4ccccc4O[Cr+]|3Oc2c1;c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O","InChI=1S/C16H15NO4.Cr/c18-14-4-2-1-3-12(14)10-17-13-7-5-11(9-15(13)19)6-8-16(20)21;/h1-5,7,9-10,18-19H,6,8H2,(H,20,21);/q;+3/p-2/b17-10+;","","2007-08-10","2011-06-04","",""],["2L6","(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid","C12 H16 N2 O3","O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3;OC(=O)[CH]1CC[CH]2C=C[C]3(CCCN3)C(=O)N12;C1CC2(C=CC3CCC(N3C2=O)C(=O)O)NC1","InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1","","2013-11-25","2024-09-27","(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid","2014-10-15"],["TIM","(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol","C13 H24 N4 O3 S","OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C;CC(C)(C)NC[CH](O)COc1nsnc1N2CCOCC2;CC(C)(C)NCC(COc1c(nsn1)N2CCOCC2)O","InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1","Timolol maleate","2008-05-22","2021-03-01","(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",""],["2L7","4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine","C13 H17 Br N2 O3","O=C(Nc1ccc(cc1)CC(C(=O)O)N)C(Br)(C)C;CC(C)(Br)C(=O)Nc1ccc(C[CH](N)C(O)=O)cc1;CC(C)(C(=O)Nc1ccc(cc1)CC(C(=O)O)N)Br","InChI=1S/C13H17BrN2O3/c1-13(2,14)12(19)16-9-5-3-8(4-6-9)7-10(15)11(17)18/h3-6,10H,7,15H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1","","2014-04-15","2014-09-05","4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine","2014-07-23"],["2L8","[(2R,3S,5R)-3-[(1-{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate ","C23 H30 N7 O12 P","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)Cn3nnc(c3)COC5C(OC(N4C(=O)NC(=O)C(=C4)C)C5)COP(=O)(O)O)C;CC1=CN([CH]2C[CH](O)[CH](Cn3cc(CO[CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5C=C(C)C(=O)NC5=O)nn3)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)Cn3cc(nn3)COC4CC(OC4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O","InChI=1S/C23H30N7O12P/c1-11-5-29(22(34)24-20(11)32)18-3-14(31)16(41-18)8-28-7-13(26-27-28)9-39-15-4-19(42-17(15)10-40-43(36,37)38)30-6-12(2)21(33)25-23(30)35/h5-7,14-19,31H,3-4,8-10H2,1-2H3,(H,24,32,34)(H,25,33,35)(H2,36,37,38)/t14-,15-,16+,17+,18+,19+/m0/s1","","2011-01-26","2011-12-23","[(2R,3S,5R)-3-[(1-{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",""],["TIN","2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID","C32 H46 N2 O3 S","O=C(O)C(NC(=O)c2ccc(cc2c1ccccc1C)CN(CCC3CCCCC3)CCCC)CCSC;CCCCN(CCC1CCCCC1)Cc2ccc(C(=O)N[CH](CCSC)C(O)=O)c(c2)c3ccccc3C;CCCCN(CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)NC(CCSC)C(=O)O","InChI=1S/C32H46N2O3S/c1-4-5-19-34(20-17-25-12-7-6-8-13-25)23-26-15-16-28(29(22-26)27-14-10-9-11-24(27)2)31(35)33-30(32(36)37)18-21-38-3/h9-11,14-16,22,25,30H,4-8,12-13,17-21,23H2,1-3H3,(H,33,35)(H,36,37)/t30-/m0/s1","","2002-12-17","2011-06-04","N-[(5-{[butyl(2-cyclohexylethyl)amino]methyl}-2'-methylbiphenyl-2-yl)carbonyl]-L-methionine",""],["2L9","(3aR,5aS,8S,10aS)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid","C12 H14 N2 O3","O=C(O)C2C=CC1C=CC3C(C(=O)N12)NCC3;OC(=O)[CH]1C=C[CH]2C=C[CH]3CCN[CH]3C(=O)N12;C1CNC2C1C=CC3C=CC(N3C2=O)C(=O)O","InChI=1S/C12H14N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-4,7-10,13H,5-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1","","2013-11-25","2014-10-10","(3aR,5aS,8S,10aS)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid","2014-10-15"],["TIO","(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE","C12 H15 N O3 S","O=C(O)CNC(=O)C(CS)Cc1ccccc1;OC(=O)CNC(=O)[CH](CS)Cc1ccccc1;c1ccc(cc1)CC(CS)C(=O)NCC(=O)O","InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1","THIORPHAN","1999-12-20","2021-03-01","N-[(2S)-2-benzyl-3-sulfanylpropanoyl]glycine",""],["TIQ","Ticagrelor","C23 H28 F2 N6 O4 S","CCCSc1nc(N[CH]2C[CH]2c3ccc(F)c(F)c3)c4nnn([CH]5C[CH](OCCO)[CH](O)[CH]5O)c4n1;CCCSc1nc(c2c(n1)n(nn2)C3CC(C(C3O)O)OCCO)NC4CC4c5ccc(c(c5)F)F","InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1","","2015-03-07","2015-03-27","(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-[3,4-bis(fluoranyl)phenyl]cyclopropyl]amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethyloxy)cyclopentane-1,2-diol","2015-04-01"],["2LA","2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C12 H18 N5 O7 P","O=P(O)(O)OCC3OC(n2c1N=C(N)NC(=O)c1c(c2)CN)CC3O;NCc1cn([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c3N=C(N)NC(=O)c13;c1c(c2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN","InChI=1S/C12H18N5O7P/c13-2-5-3-17(10-9(5)11(19)16-12(14)15-10)8-1-6(18)7(24-8)4-23-25(20,21)22/h3,6-8,18H,1-2,4,13H2,(H2,20,21,22)(H3,14,15,16,19)/t6-,7+,8+/m0/s1","","2011-09-07","2012-08-24","2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2012-08-24"],["TIR","TIRANDAMYCIN E","C22 H29 N O6","C[CH](C=C(C)C=CC(O)=C1C(=O)CNC1=O)[CH]2O[C]3(C)O[CH]([CH]2C)[CH](O)C=C3C;CC1C2C(C=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(=O)CNC3=O)O)C)C)O","InChI=1S/C22H29NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,16,19-20,24-25H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,16+,19-,20+,22+/m1/s1","","2010-12-23","2011-06-24","(3Z)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,4S,5S,6R,7R)-4-hydroxy-1,2,6-trimethyl-8,9-dioxabicyclo[3.3.1]non-2-en-7-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-dione",""],["2LB","(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid","C11 H10 O5 S","O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C;C[C]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O;CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O","InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1","menadione bisulfite","2013-11-26","2021-03-01","(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid","2014-02-19"],["2LC","2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide","C22 H26 F N3 O3","O=C4c1c(n(cc1C)c2cc(c(c(F)c2)C(=O)N)NC3CCOC3)CC(C)(C)C4;Cc1cn(c2CC(C)(C)CC(=O)c12)c3cc(F)c(C(N)=O)c(N[CH]4CCOC4)c3;Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)NC4CCOC4","InChI=1S/C22H26FN3O3/c1-12-10-26(17-8-22(2,3)9-18(27)19(12)17)14-6-15(23)20(21(24)28)16(7-14)25-13-4-5-29-11-13/h6-7,10,13,25H,4-5,8-9,11H2,1-3H3,(H2,24,28)/t13-/m0/s1","","2013-11-26","2014-01-10","2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide","2014-01-15"],["TIS","O-(1,1-dihydroxyethyl)-L-serine","C5 H11 N O5","O=C(O)C(N)COC(O)(O)C;CC(O)(O)OC[CH](N)C(O)=O;CC(O)(O)OCC(C(=O)O)N","InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1","","2009-01-28","2024-09-27","O-(1,1-dihydroxyethyl)-L-serine",""],["TIT","N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE","C32 H45 Br N6 O7","O=C(NC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C)COCc1ccc(Br)cc1)C(C)C)c2ncccc2;CC(C)C[CH](NC(=O)[CH](C)NC(=O)C[CH](O)[CH](COCc1ccc(Br)cc1)NC(=O)[CH](NC(=O)c2ccccn2)C(C)C)C(N)=O;CC(C)CC(C(=O)N)NC(=O)C(C)NC(=O)CC(C(COCc1ccc(cc1)Br)NC(=O)C(C(C)C)NC(=O)c2ccccn2)O","InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1","","2004-08-18","2011-06-04","N-[(1S)-1-{[(1S,2S)-1-{[(4-bromobenzyl)oxy]methyl}-4-{[(1S)-2-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-1-methyl-2-oxoethyl]amino}-2-hydroxy-4-oxobutyl]carbamoyl}-2-methylpropyl]pyridine-2-carboxamide (non-preferred name)",""],["2LD","3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one","C13 H13 N O2","O=C1C(O)=CC(=CN1)CCc2ccccc2;OC1=CC(=CNC1=O)CCc2ccccc2;c1ccc(cc1)CCC2=CNC(=O)C(=C2)O","InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)","","2013-01-24","2013-05-24","3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one","2013-05-29"],["2LE","(2R,5S)-5-pentyltetrahydrofuran-2-ol","C9 H18 O2","OC1OC(CCCCC)CC1;CCCCC[CH]1CC[CH](O)O1;CCCCCC1CCC(O1)O","InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m0/s1","","2011-08-01","2012-07-27","(2R,5S)-5-pentyltetrahydrofuran-2-ol",""],["TIU","tricarbonodiimidic diamide","C3 H6 N4 O3","NC(NC(=O)NC(N)=O)=O;NC(=O)NC(=O)NC(N)=O;C(=O)(N)NC(=O)NC(=O)N","InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)","","2020-06-24","2020-11-13","tricarbonodiimidic diamide","2020-11-18"],["2LF","(6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate","C10 H12 N5 O7 P","O=P(O)(O)OC3c2nc1C(=O)NC(=Nc1n2C4OC3C(O)C4)N;NC1=Nc2n3[CH]4C[CH](O)[CH](O4)[CH](O[P](O)(O)=O)c3nc2C(=O)N1;C1C(C2C(c3nc4c(n3C1O2)N=C(NC4=O)N)OP(=O)(O)O)O","InChI=1S/C10H12N5O7P/c11-10-13-7-4(9(17)14-10)12-8-6(22-23(18,19)20)5-2(16)1-3(21-5)15(7)8/h2-3,5-6,16H,1H2,(H2,18,19,20)(H3,11,13,14,17)/t2-,3+,5-,6+/m0/s1","","2011-07-21","2011-12-30","(6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate",""],["TIV","(3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione","C23 H19 N3 O2","O=C1NC(=O)[CH]([CH]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56;c1ccc2c(c1)c(c[nH]2)C3C(C(=O)NC3=O)c4cn5c6c4cccc6CCC5","InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1","Tivantinib","2015-10-20","2021-03-01","","2015-11-04"],["TIW","(3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide","C26 H28 N6 O S","CSc1ccc(cc1)CNC(=O)C1CCCN(C1)c1ncnc2nn(cc12)c1ccc(C)cc1;CSc1ccc(CNC(=O)[CH]2CCCN(C2)c3ncnc4nn(cc34)c5ccc(C)cc5)cc1;Cc1ccc(cc1)n2cc3c(n2)ncnc3N4CCCC(C4)C(=O)NCc5ccc(cc5)SC","InChI=1S/C26H28N6OS/c1-18-5-9-21(10-6-18)32-16-23-24(30-32)28-17-29-25(23)31-13-3-4-20(15-31)26(33)27-14-19-7-11-22(34-2)12-8-19/h5-12,16-17,20H,3-4,13-15H2,1-2H3,(H,27,33)/t20-/m0/s1","","2022-07-25","2023-03-03","(3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide","2023-03-08"],["2LG","2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE","C19 H20 Cl N3 O3 S2","O=S(=O)(N(CC)CC)c1cc(c(Cl)cc1)C(=O)Nc2sc3c(c2C#N)CCC3;CCN(CC)[S](=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc2sc3CCCc3c2C#N;CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl","InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)","","2005-09-19","2011-06-04","2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide",""],["2LI","N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide","C29 H36 F2 N4 O2","Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC4(c2cccc(c2)C(C)(C)C)CCc3c(cnn3)C4;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)CN[C]2(CCc3[nH]ncc3C2)c4cccc(c4)C(C)(C)C;CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O","InChI=1S/C29H36F2N4O2/c1-18(36)34-26(12-19-10-23(30)14-24(31)11-19)27(37)17-32-29(9-8-25-20(15-29)16-33-35-25)22-7-5-6-21(13-22)28(2,3)4/h5-7,10-11,13-14,16,26-27,32,37H,8-9,12,15,17H2,1-4H3,(H,33,35)(H,34,36)/t26-,27+,29-/m0/s1","","2009-09-02","2011-06-04","N-[(2S,3R)-4-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide",""],["TIX","ailanthone","C20 H26 O7","C[CH]1CC(=O)[CH](O)[C]2(C)[CH]1C[CH]3OC(=O)C[CH]4C(=C)[CH](O)[C]5(O)OC[C]34[CH]25;CC1CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4CC(=O)O3)O)(OC5)O)C)O","InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h8,10-11,13,15-17,23-25H,2,4-7H2,1,3H3/t8-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1","","2023-01-05","2024-01-05","","2024-01-10"],["2LJ","1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol","C12 H20 N4 O6","C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O;CCC=NC1=C(NC[CH](O)[CH](O)[CH](O)CO)NC(=O)NC1=O;CCC=NC1=C(NC(=O)NC1=O)NCC(C(C(CO)O)O)O","InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1","5-(2-oxopropylideneamino)-6-D-ribitylaminouracil","2013-11-27","2024-09-27","1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol","2014-04-16"],["TIY","2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one","C11 H8 O5","O=C2c1c(O)c(O)c(O)cc1C=CC=C2O;OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O;c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O","InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)","Purpurogallin","2011-08-30","2020-06-17","2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one",""],["TIZ","(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL","C9 H12 N2 O5 S","O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N;NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]2O;c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N","InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1","TIAZOFURIN","2007-03-08","2021-03-01","(1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol",""],["2LK","1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole","C19 H16 Cl N3 O","Clc1ccc(cc1)Cn2c4c(nc2)cc(c3c(onc3C)C)cc4;Cc1onc(C)c1c2ccc3n(Cc4ccc(Cl)cc4)cnc3c2;Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl","InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-18-17(9-15)21-11-23(18)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3","","2013-11-27","2013-12-13","1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole","2013-12-18"],["TJ0","4-[2-(trifluoromethyl)benzoyl]piperazin-2-one","C12 H11 F3 N2 O2","O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F;FC(F)(F)c1ccccc1C(=O)N2CCNC(=O)C2;c1ccc(c(c1)C(=O)N2CCNC(=O)C2)C(F)(F)F","InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18)","","2023-08-28","2023-11-24","4-[2-(trifluoromethyl)benzoyl]piperazin-2-one","2023-11-29"],["2LL","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole","C26 H30 N4 O2","O1CCN(CC1)CCn2c5c(nc2CCc3ccccc3)cc(c4c(onc4C)C)cc5;Cc1onc(C)c1c2ccc3n(CCN4CCOCC4)c(CCc5ccccc5)nc3c2;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5","InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3","","2013-11-27","2013-12-13","5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole","2013-12-18"],["TJ1","3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one","C5 H8 N2 O2","C1(=O)NC(=NO1)C(C)C;CC(C)C1=NOC(=O)N1;CC(C)C1=NOC(=O)N1","InChI=1S/C5H8N2O2/c1-3(2)4-6-5(8)9-7-4/h3H,1-2H3,(H,6,7,8)","","2020-03-20","2020-06-05","3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one","2020-06-10"],["2LM","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid","C13 H19 N2 O7 P S","O=C(O)/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CCSC;CSCCC(=NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CCSC)C(=O)O)O","InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5,16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/b15-11+","","2010-03-03","2011-06-04","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid",""],["TJ2","3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid","C23 H23 Cl2 N3 O4","Clc1ccc(cc1)CN(C=O)C(c3c2ccc(Cl)cc2nc3C(=O)O)C(=O)NC(C)(C)C;CC(C)(C)NC(=O)[CH](N(Cc1ccc(Cl)cc1)C=O)c2c([nH]c3cc(Cl)ccc23)C(O)=O;CC(C)(C)NC(=O)C(c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O","InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)/t20-/m0/s1","","2011-08-24","2012-09-07","3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid","2012-09-07"],["2LN","1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one","C27 H36 N2 O5","O=C(N1Cc4c(OCC1)c(OCC2CCCN(C)C2)cc(c3ccc(OC)c(OC)c3)c4)CC;CCC(=O)N1CCOc2c(C1)cc(cc2OC[CH]3CCCN(C)C3)c4ccc(OC)c(OC)c4;CCC(=O)N1CCOc2c(cc(cc2OCC3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1","InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m1/s1","","2013-11-27","2013-12-13","1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one","2013-12-18"],["TJ3","5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one","C17 H15 Cl N6 O","Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc4NC(=O)Cc4c3)n2;Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C","InChI=1S/C17H15ClN6O/c1-9-5-10(2)24(23-9)17-19-8-13(18)16(22-17)20-12-3-4-14-11(6-12)7-15(25)21-14/h3-6,8H,7H2,1-2H3,(H,21,25)(H,19,20,22)","","2017-01-18","2017-09-29","5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one","2017-10-04"],["2LO","2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole","C28 H33 Cl N4 O3","Clc1c(OC)ccc(c1)CCc4nc3cc(c2c(onc2C)C)ccc3n4CC(N5CCOCC5)C;COc1ccc(CCc2nc3cc(ccc3n2C[CH](C)N4CCOCC4)c5c(C)onc5C)cc1Cl;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CC(C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC","InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1","","2013-11-27","2013-12-13","2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole","2013-12-18"],["2LP","2-ALLYLPHENOL","C9 H10 O","Oc1ccccc1C/C=C;Oc1ccccc1CC=C;C=CCc1ccccc1O","InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2","","2003-03-27","2011-06-04","2-prop-2-en-1-ylphenol",""],["TJ4","5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid","C7 H8 N2 O3","O=C1NC(=C(C(=N1)C)C)C(O)=O;CC1=NC(=O)NC(=C1C)C(O)=O;CC1=C(NC(=O)N=C1C)C(=O)O","InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12)","","2020-03-23","2021-01-08","5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid","2021-01-13"],["2LQ","4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine","C18 H24 N2 O3","O=C(O)C(N)Cc1ccc(cc1)NC(=O)C2CCC=CCCC2;N[CH](Cc1ccc(NC(=O)[CH]2CCCC=CCC2)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)NC(=O)C2CCCC=CCC2","InChI=1S/C18H24N2O3/c19-16(18(22)23)12-13-8-10-15(11-9-13)20-17(21)14-6-4-2-1-3-5-7-14/h1-2,8-11,14,16H,3-7,12,19H2,(H,20,21)(H,22,23)/b2-1+/t14-,16-/m0/s1","","2014-04-15","2014-09-05","4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine","2014-07-23"],["TJ5","(2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid","C18 H17 N O4","OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O","InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m0/s1","","2020-12-22","2021-09-17","(2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid","2021-09-22"],["TJ7","(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4\n-carboxylic acid","C16 H20 N2 O7 S2","O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2;CO[C](NC(=O)[CH](C(O)=O)c1cscc1)(C=O)[CH]2N[CH](C(O)=O)C(C)(C)S2;CC1(C(NC(S1)C(C=O)(NC(=O)C(c2ccsc2)C(=O)O)OC)C(=O)O)C","InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1","temocillin","2019-10-15","2024-09-27","(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2019-10-30"],["2LR","N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide","C29 H47 N3 O6","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(O)C2(OC2)C)CC(C)C)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)[C]2(C)CO2;CC(C)CC(C(C1(CO1)C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2","InChI=1S/C29H47N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-25,33H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,25+,29+/m0/s1","PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form","2013-11-28","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide","2014-02-12"],["TJ8","2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde","C16 H11 Br N2 O","Brc1cc(ccc1C=O)n2ccnc2c3ccccc3;c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O","InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H","LvD1009","2020-12-22","2024-09-27","2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde","2021-06-16"],["2LS","(1R,2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol","C9 H19 N O2","OC(C(N)CC(C)C)C1(OC1)C;CC(C)C[CH](N)[CH](O)[C]1(C)CO1;CC(C)CC(C(C1(CO1)C)O)N","InChI=1S/C9H19NO2/c1-6(2)4-7(10)8(11)9(3)5-12-9/h6-8,11H,4-5,10H2,1-3H3/t7-,8+,9+/m0/s1","","2013-11-28","2014-02-07","(1R,2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol","2014-02-12"],["TJ9","~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide","C9 H10 N4 O S2","CC(=O)Nc1sc(c(C)n1)c2csc(N)n2;Cc1c(sc(n1)NC(=O)C)c2csc(n2)N","InChI=1S/C9H10N4OS2/c1-4-7(6-3-15-8(10)13-6)16-9(11-4)12-5(2)14/h3H,1-2H3,(H2,10,13)(H,11,12,14)","","2023-01-05","2023-06-02","~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide","2023-06-07"],["2LT","3,5-dichloro-L-tyrosine","C9 H9 Cl2 N O3","Clc1cc(cc(Cl)c1O)CC(C(=O)O)N;N[CH](Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O;c1c(cc(c(c1Cl)O)Cl)CC(C(=O)O)N","InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1","","2013-12-18","2024-09-27","3,5-dichloro-L-tyrosine","2014-09-24"],["TJA","(4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine","C6 H10 N4","Cc1nnc2CNCCn12;Cc1nnc2CNCCn12;Cc1nnc2n1CCNC2","InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3","","2023-08-28","2023-11-24","(4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine","2023-11-29"],["2LU","2-AMINO-4-METHYL-PENTANYL GROUP","C6 H15 N","NC(C)CC(C)C;CC(C)C[CH](C)N;CC(C)CC(C)N","InChI=1/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1","LEUCINE - REDUCED CARBONYL","2000-01-21","2009-01-07","(2R)-4-methylpentan-2-amine",""],["2LV","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide","C33 H48 N4 O6","O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)Nc2ccccc2;CC(C)CC(C(C(=O)Nc1ccccc1)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2","InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1","PHQ-Leu-Leu-Leu-ketoamide, bound form","2013-11-29","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide","2014-02-12"],["TJB","2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde","C16 H11 Cl N2 O","Clc1cc(ccc1C=O)n2ccnc2c3ccccc3;c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O","InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H","LvD1017","2020-12-22","2024-09-27","2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde","2021-06-16"],["TJC","{5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid","C31 H33 Cl N2 O4","CC(C)(C)c1ccc(cc1)CNC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OCC(=O)O)c1)c(C)c2C;Cc1n(Cc2ccc(Cl)c(OCC(O)=O)c2)c3ccc(cc3c1C)C(=O)NCc4ccc(cc4)C(C)(C)C;Cc1c(n(c2c1cc(cc2)C(=O)NCc3ccc(cc3)C(C)(C)C)Cc4ccc(c(c4)OCC(=O)O)Cl)C","InChI=1S/C31H33ClN2O4/c1-19-20(2)34(17-22-8-12-26(32)28(14-22)38-18-29(35)36)27-13-9-23(15-25(19)27)30(37)33-16-21-6-10-24(11-7-21)31(3,4)5/h6-15H,16-18H2,1-5H3,(H,33,37)(H,35,36)","","2022-07-25","2022-09-02","{5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid","2022-09-07"],["2LW","1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone","C13 H13 Cl N2 O","Clc2cc1c3c(nc1cc2)CCN(C(=O)C)C3;CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1;CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1","InChI=1S/C13H13ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3","","2013-11-29","2013-12-20","1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone","2013-12-25"],["TJD","methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate","C10 H8 N2 O3","N2=C(C(=O)OC)c1c(cccc1)NC2=O;COC(=O)C1=NC(=O)Nc2ccccc12;COC(=O)C1=NC(=O)Nc2c1cccc2","InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14)","","2020-03-23","2021-01-08","methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate","2021-01-13"],["2LX","N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide","C13 H17 N O3","O=C(c2c(OC1CCOCC1)cccc2)NC;CNC(=O)c1ccccc1OC2CCOCC2;CNC(=O)c1ccccc1OC2CCOCC2","InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)","","2013-11-29","2013-12-20","N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide","2013-12-25"],["TJE","(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid","C24 H31 N2 O7 P","O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C;C[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(C)=O)[P](O)(=O)C[CH](CCc2ccccc2)C(O)=O;CC(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C)P(=O)(CC(CCc2ccccc2)C(=O)O)O","InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1","Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH","2014-12-17","2020-06-17","(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid","2016-01-20"],["2LY","N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide","C8 H9 N O3 S","O=C(c1scc2OCCOc12)NC;CNC(=O)c1scc2OCCOc12;CNC(=O)c1c2c(cs1)OCCO2","InChI=1S/C8H9NO3S/c1-9-8(10)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3,(H,9,10)","","2013-11-29","2013-12-20","N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide","2013-12-25"],["TJF","4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile","C21 H21 N7 O2 S","O=C(N1CCOCC1)c2cc(ccc2)Nc3ncc(C#N)c(n3)c4sc(nc4C)NC;CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)C(=O)N4CCOCC4)ncc2C#N;Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N","InChI=1S/C21H21N7O2S/c1-13-18(31-21(23-2)25-13)17-15(11-22)12-24-20(27-17)26-16-5-3-4-14(10-16)19(29)28-6-8-30-9-7-28/h3-5,10,12H,6-9H2,1-2H3,(H,23,25)(H,24,26,27)","","2012-10-03","2013-01-04","4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile","2013-01-04"],["2LZ","(5-fluoro-1H-indol-3-yl)acetic acid","C10 H8 F N O2","O=C(O)Cc1c[NH]c2ccc(F)cc21;OC(=O)Cc1c[nH]c2ccc(F)cc12;c1cc2c(cc1F)c(c[nH]2)CC(=O)O","InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)","","2021-06-30","2022-01-07","(5-fluoro-1H-indol-3-yl)acetic acid","2022-01-12"],["2M0","(3S)-5-methyl-1-(methylsulfonyl)hexan-3-amine","C8 H19 N O2 S","O=S(=O)(CCC(N)CC(C)C)C;CC(C)C[CH](N)CC[S](C)(=O)=O;CC(C)CC(CCS(=O)(=O)C)N","InChI=1S/C8H19NO2S/c1-7(2)6-8(9)4-5-12(3,10)11/h7-8H,4-6,9H2,1-3H3/t8-/m1/s1","","2013-12-02","2014-02-07","(3S)-5-methyl-1-(methylsulfonyl)hexan-3-amine","2014-02-12"],["TJG","7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide","C21 H27 N3 O2","c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4;CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3nc(ccc3c2)C4CC4;CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O","InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17-","","2020-03-23","2020-10-30","7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide","2020-11-04"],["2M1","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide","C28 H47 N3 O6 S","O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C;CC(C)C[CH](CC[S](C)(=O)=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1;CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1","PHQ-Leu-Leu-Leu-vinylsulfone","2013-12-02","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide","2014-02-12"],["TJH","2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione","C25 H22 Cl N3 O3","O=C1C=C(C(=O)c2cccc(O)c12)NCCNc3c5c(nc4c3CCCC4)cc(Cl)cc5;Oc1cccc2C(=O)C(=CC(=O)c12)NCCNc3c4CCCCc4nc5cc(Cl)ccc35;c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl","InChI=1S/C25H22ClN3O3/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29)","","2014-06-30","2014-10-03","2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione","2014-10-08"],["TJI","ethyl 3-bromanyl-2-methyl-propanoate","C6 H11 Br O2","CCOC(=O)[CH](C)CBr;CCOC(=O)C(C)CBr","InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1","Ethyl 2-(bromomethyl)acrylate (precursor)","2023-01-06","2024-09-27","ethyl 3-bromanyl-2-methyl-propanoate","2023-11-01"],["2M2","N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine","C20 H21 N7 O","n1oc(cc1C)CNc4nc(Nc2nnc(c2)CCc3ccccc3)ccn4;Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)[nH]n3)n2)on1;Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4","InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)","","2013-12-02","2013-12-13","N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine","2013-12-18"],["2M3","2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine","C21 H22 N4 O","O=C(N3CC(c2c1cccnc1nc2C)CC3)C5(c4ncccc4)CC5;Cc1[nH]c2ncccc2c1[CH]3CCN(C3)C(=O)C4(CC4)c5ccccn5;Cc1c(c2cccnc2[nH]1)C3CCN(C3)C(=O)C4(CC4)c5ccccn5","InChI=1S/C21H22N4O/c1-14-18(16-5-4-11-23-19(16)24-14)15-7-12-25(13-15)20(26)21(8-9-21)17-6-2-3-10-22-17/h2-6,10-11,15H,7-9,12-13H2,1H3,(H,23,24)/t15-/m1/s1","","2009-03-27","2011-06-04","2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine",""],["TJJ","2-oxo-2,3-dihydropyrimidine-4-carboxylic acid","C5 H4 N2 O3","O=C1N=CC=C(N1)C(O)=O;OC(=O)C1=CC=NC(=O)N1;C1=C(NC(=O)N=C1)C(=O)O","InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10)","","2020-03-23","2021-01-08","2-oxo-2,3-dihydropyrimidine-4-carboxylic acid","2021-01-13"],["TJK","2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde","C16 H9 Br2 F N2 O","Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3;c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O","InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H","PC2068B","2020-12-22","2024-09-27","2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde","2021-06-16"],["2M4","2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose","C12 H22 O11","O(C1C(O)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1","","2010-08-16","2020-07-17","2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose",""],["TJL","4-(1,2,4-oxadiazol-5-yl)aniline","C8 H7 N3 O","Nc1ccc(cc1)c1ncno1;Nc1ccc(cc1)c2oncn2;c1cc(ccc1c2ncno2)N","InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2","","2023-08-28","2023-11-24","4-(1,2,4-oxadiazol-5-yl)aniline","2023-11-29"],["2M5","methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside","C8 H16 O6","OC1C(O)C(O)C(OC1OC)C(O)C;CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O;CC(C1C(C(C(C(O1)OC)O)O)O)O","InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1","methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside; methyl 7-deoxy-L-glycero-D-manno-heptoside; methyl\n7-deoxy-L-glycero-manno-heptoside","2010-08-16","2020-07-17","methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside",""],["TJM","5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE","C10 H11 N3 O S","O=C(N)c2nnc(c1cc(sc1C)C)c2;Cc1sc(C)c(c1)c2[nH]nc(c2)C(N)=O;Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N","InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)","","2014-08-28","2014-10-10","5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-3-carboxamide","2014-10-15"],["2M7","(2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol","C13 H15 N O2","C(#Cc1ccccc1)C2NC(C)C(O)C2O;C[CH]1N[CH](C#Cc2ccccc2)[CH](O)[CH]1O;CC1C(C(C(N1)C#Cc2ccccc2)O)O","InChI=1S/C13H15NO2/c1-9-12(15)13(16)11(14-9)8-7-10-5-3-2-4-6-10/h2-6,9,11-16H,1H3/t9-,11-,12+,13-/m0/s1","","2014-04-17","2014-07-10","(2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol","2014-07-08"],["TJO","(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid","C33 H37 Cl N2 O4","CC(C)(C)c1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OC(C)C(=O)O)c1)c(C)c2C;C[CH](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[CH](C)C(O)=O)c3)c(C)c(C)c2c1)c4ccc(cc4)C(C)(C)C;Cc1c(n(c2c1cc(cc2)C(=O)NC(C)c3ccc(cc3)C(C)(C)C)Cc4ccc(c(c4)OC(C)C(=O)O)Cl)C","InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m1/s1","","2022-07-25","2022-09-02","(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid","2022-09-07"],["2M8","(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid","C9 H16 O9","O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO;OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O","InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1","2-O-ALPHA-MANNOSYL-D-GLYCERATE; (2R)-3-hydroxy-2-(alpha-D-mannosyloxy)propanoic acid;\n(2R)-3-hydroxy-2-(D-mannosyloxy)propanoic acid; (2R)-3-hydroxy-2-(mannosyloxy)propanoic acid","2011-07-14","2020-07-17","(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid",""],["TJP","methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate","C6 H6 N2 O3","O=C1NC(C(=O)OC)=CC=N1;COC(=O)C1=CC=NC(=O)N1;COC(=O)C1=CC=NC(=O)N1","InChI=1S/C6H6N2O3/c1-11-5(9)4-2-3-7-6(10)8-4/h2-3H,1H3,(H,7,8,10)","","2020-03-23","2021-01-08","methyl 2-oxo-2,3-dihydropyrimidine-4-carboxylate","2021-01-13"],["2M9","8-methoxypyrene-1,3,6-trisulfonic acid","C17 H12 O10 S3","O=S(=O)(O)c1cc(OC)c4c3c1ccc2c(cc(c(c23)cc4)S(=O)(=O)O)S(=O)(=O)O;COc1cc(c2ccc3c4c(ccc1c24)c(cc3[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C17H12O10S3/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)","","2013-12-03","2014-11-07","8-methoxypyrene-1,3,6-trisulfonic acid","2014-11-12"],["2MA","2-METHYLADENOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=P(O)(O)OCC1OC(n2cnc3c(N)nc(C)nc32)C(O)C1O;Cc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1;Cc1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","","1999-07-08","2025-03-05","2-methyladenosine 5'-(dihydrogen phosphate)",""],["TJQ","ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate","C20 H24 N2 O5","CCOC(=O)c1c(C)[nH]c(c1C)C(=O)N(CC)Cc2ccc3OCOc3c2;CCN(Cc1ccc2c(c1)OCO2)C(=O)c3c(c(c([nH]3)C)C(=O)OCC)C","InChI=1S/C20H24N2O5/c1-5-22(10-14-7-8-15-16(9-14)27-11-26-15)19(23)18-12(3)17(13(4)21-18)20(24)25-6-2/h7-9,21H,5-6,10-11H2,1-4H3","","2023-01-06","2025-04-11","ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate","2025-04-16"],["2MB","2-METHYL BUT-2-ENE","C5 H10","C(=C(C)C)C;CC=C(C)C;CC=C(C)C","InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3","","2004-11-19","2012-01-25","2-methylbut-2-ene",""],["TJR","[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate","C21 H43 O7 P","CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1","","2023-04-25","2024-04-05","[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate","2024-04-10"],["TJS","2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid","C9 H10 N2 O3","C1CCCC2=C1NC(N=C2C(O)=O)=O;OC(=O)C1=NC(=O)NC2=C1CCCC2;C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O","InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)","","2020-03-23","2021-01-08","2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid","2021-01-13"],["2MC","METHACRYLYL-COENZYME A","C25 H40 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(=C)C;CC(=C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1","","2004-01-19","2012-01-05","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylprop-2-enethioate (non-preferred name)",""],["2MD","GUANYLATE-O'-PHOSPHORIC ACID\nMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER","C20 H28 N10 O13 P2 S2","O=C1C=2NC3C(S)C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O;NC1=NC2=C(N[CH]3[CH](S)[CH](S)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)O[CH]3N2)C(=O)N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N","InChI=1S/C20H28N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-12,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,11+,12-,17-,18-/m1/s1","MOLYBDENUM COFACTOR,BIS (MOLYBDOPTERIN GUANINE DINUCLEOTIDE)","1999-10-08","2020-06-17","5'-O-[(R)-{[(S)-{[(5aR,6R,7S,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["TJU","[(2~{R},3~{S},5~{R})-5-(4-azanyl-3-methyl-6-oxidanylidene-2~{H}-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","C9 H17 N4 O7 P","CN1CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N;CN1CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C9H17N4O7P/c1-12-4-13(9(15)11-8(12)10)7-2-5(14)6(20-7)3-19-21(16,17)18/h5-7,14H,2-4H2,1H3,(H2,10,11,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","2023-01-06","2024-01-12","[(2~{R},3~{S},5~{R})-5-(4-azanyl-3-methyl-6-oxidanylidene-2~{H}-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2024-01-17"],["TJV","1,3-benzodioxole-5-carbothioamide","C8 H7 N O2 S","c2c1OCOc1ccc2C(N)=S;NC(=S)c1ccc2OCOc2c1;c1cc2c(cc1C(=S)N)OCO2","InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)","","2020-03-23","2020-06-05","2H-1,3-benzodioxole-5-carbothioamide","2020-06-10"],["2ME","METHOXYETHANE","C3 H8 O","methoxyethane;CCOC;CCOC","InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","","1999-07-08","2011-06-04","ethyl methyl ether",""],["TJW","5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide","C34 H45 N7 O5 S","C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3;CS(=O)(=O)N1CCCC(C1)NC(=O)C(CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5","InChI=1S/C34H45N7O5S/c1-47(45,46)40-20-8-11-27(23-40)38-34(44)30(19-16-24-9-4-2-5-10-24)39-32(42)26-17-14-25(15-18-26)21-36-33(43)29-22-37-41(31(29)35)28-12-6-3-7-13-28/h3,6-7,12-15,17-18,22,24,27,30H,2,4-5,8-11,16,19-21,23,35H2,1H3,(H,36,43)(H,38,44)(H,39,42)/t27-,30-/m0/s1","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; inhibitor SR159","2020-12-23","2021-02-26","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2021-03-03"],["2MG","2N-METHYLGUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O8 P","O=C1c2ncn(c2N=C(NC)N1)C3OC(C(O)C3O)COP(=O)(O)O;CNC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CNC1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N1","InChI=1S/C11H16N5O8P/c1-12-11-14-8-5(9(19)15-11)13-3-16(8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,20,21,22)(H2,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","N-methylguanosine 5'-(dihydrogen phosphate)",""],["TJX","1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine","C8 H9 N3","NCc1cc2nccn2cc1;NCc1ccn2ccnc2c1;c1cn2ccnc2cc1CN","InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2","","2023-08-28","2023-11-24","1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine","2023-11-29"],["2MH","cis-4-methylcyclohexanamine","C7 H15 N","NC1CCC(C)CC1;C[CH]1CC[CH](N)CC1;CC1CCC(CC1)N","InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7+","","2007-08-06","2011-06-04","cis-4-methylcyclohexanamine",""],["TJY","2-oxo-1,2-dihydroquinazoline-4-carboxylic acid","C9 H6 N2 O3","O=C2N=C(C(=O)O)c1c(cccc1)N2;OC(=O)C1=NC(=O)Nc2ccccc12;c1ccc2c(c1)C(=NC(=O)N2)C(=O)O","InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14)","","2020-03-23","2021-01-08","2-oxo-1,2-dihydroquinazoline-4-carboxylic acid","2021-01-13"],["2MI","2-METHYL-1H-INDOLE","C9 H9 N","c1cccc2c1cc(n2)C;Cc1[nH]c2ccccc2c1;Cc1cc2ccccc2[nH]1","InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3","","2005-11-15","2011-06-04","2-methyl-1H-indole",""],["2MJ","(2R,3S)-3-amino-5-methylhexane-1,2-diol","C7 H17 N O2","OCC(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)CO;CC(C)CC(C(CO)O)N","InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3/t6-,7-/m0/s1","","2013-12-04","2014-02-07","(2R,3S)-3-amino-5-methylhexane-1,2-diol","2014-02-12"],["TJZ","~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide","C35 H44 N8 O4 S","C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNc4ncnc5n(ncc45)c6ccccc6)cc3;CS(=O)(=O)N1CCCC(C1)NC(=O)C(CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6","InChI=1S/C35H44N8O4S/c1-48(46,47)42-20-8-11-28(23-42)40-35(45)31(19-16-25-9-4-2-5-10-25)41-34(44)27-17-14-26(15-18-27)21-36-32-30-22-39-43(33(30)38-24-37-32)29-12-6-3-7-13-29/h3,6-7,12-15,17-18,22,24-25,28,31H,2,4-5,8-11,16,19-21,23H2,1H3,(H,40,45)(H,41,44)(H,36,37,38)/t28-,31+/m1/s1","","2020-12-23","2021-02-26","~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide","2021-03-03"],["TK0","(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide","C37 H34 N6 O2 S2","O=C(NCc1ccc2sccc2c1)C1CCCN(C1)c1ncnc2sc(cc12)c1ccc(CCNC(=O)/C=C/c2cccnc2)cc1;O=C(NCCc1ccc(cc1)c2sc3ncnc(N4CCC[CH](C4)C(=O)NCc5ccc6sccc6c5)c3c2)C=Cc7cccnc7;c1cc(cnc1)C=CC(=O)NCCc2ccc(cc2)c3cc4c(ncnc4s3)N5CCCC(C5)C(=O)NCc6ccc7c(c6)ccs7","InChI=1S/C37H34N6O2S2/c44-34(12-8-26-3-1-15-38-21-26)39-16-13-25-5-9-28(10-6-25)33-20-31-35(41-24-42-37(31)47-33)43-17-2-4-30(23-43)36(45)40-22-27-7-11-32-29(19-27)14-18-46-32/h1,3,5-12,14-15,18-21,24,30H,2,4,13,16-17,22-23H2,(H,39,44)(H,40,45)/b12-8+/t30-/m0/s1","","2022-07-25","2023-07-28","(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide","2023-08-02"],["2MK","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide","C27 H45 N3 O6","O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)CO;CC(C)CC(C(CO)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1","PHQ-Leu-Leu-Leu-ketoaldehyde, bound form","2013-12-04","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide","2014-02-12"],["TK1","1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione","C24 H20 N4 O5 S","O=S(=O)(c5ccc(Oc3c(cc1c(nc(n1)c2ncccc2)c3)CN4C(=O)CCC4=O)cc5)C;C[S](=O)(=O)c1ccc(Oc2cc3nc([nH]c3cc2CN4C(=O)CCC4=O)c5ccccn5)cc1;CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5","InChI=1S/C24H20N4O5S/c1-34(31,32)17-7-5-16(6-8-17)33-21-13-20-19(26-24(27-20)18-4-2-3-11-25-18)12-15(21)14-28-22(29)9-10-23(28)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,27)","","2009-04-21","2011-06-04","1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione",""],["2ML","2-METHYLLEUCINE","C7 H15 N O2","O=C(O)C(N)(C)CC(C)C;CC(C)C[C](C)(N)C(O)=O;CC(C)CC(C)(C(=O)O)N","InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1","","2001-02-08","2024-09-27","2-methyl-L-leucine",""],["2MM","N,N-dimethyl-L-methionine","C7 H15 N O2 S","O=C(O)C(N(C)C)CCSC;CSCC[CH](N(C)C)C(O)=O;CN(C)C(CCSC)C(=O)O","InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1","","2008-03-14","2024-09-27","N,N-dimethyl-L-methionine",""],["TK2","2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine","C30 H30 N4 O","Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5;Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN","InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3","","2020-12-23","2021-06-04","2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine","2021-06-09"],["TK3","(1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C36 H52 O3","OC6C(=C)C(O)C/C(=CC=C4/CCCC5(C)C(C(C)CC#CC(O)CC23CC1CC(CC(C1)C2)C3)CCC45)C6;C[CH](CC#C[CH](O)CC12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)[CH](O)C6;CC(CC#CC(CC12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)O)O)C","InChI=1S/C36H52O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h9-10,23,26-28,30-34,37-39H,2,5-7,11-22H2,1,3H3/b29-10+/t23-,26-,27+,28-,30+,31-,32+,33-,34-,35-,36-/m1/s1","","2012-06-07","2013-06-07","(1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2013-06-12"],["2MN","Metronidazole","C6 H9 N3 O3","[O-][N+](=O)c1cnc(n1CCO)C;Cc1ncc(n1CCO)[N+]([O-])=O;Cc1ncc(n1CCO)[N+](=O)[O-]","InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3","","2004-07-16","2017-03-17","2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol",""],["TK4","2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID","C12 H11 N O7 S2","O=S(=O)(O)c1cccc2c1ccc(NC(=O)C)c2S(=O)(=O)O;CC(=O)Nc1ccc2c(cccc2[S](O)(=O)=O)c1[S](O)(=O)=O;CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O","InChI=1S/C12H11NO7S2/c1-7(14)13-10-6-5-8-9(12(10)22(18,19)20)3-2-4-11(8)21(15,16)17/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)","","1999-11-27","2011-06-04","2-(acetylamino)naphthalene-1,5-disulfonic acid",""],["2MO","MOLYBDENUM (IV)OXIDE","Mo O2","O=[Mo]=O;O=[Mo]=O;O=[Mo]=O","InChI=1S/Mo.2O","","1999-07-08","2023-09-23","dioxomolybdenum",""],["TK5","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","C34 H45 N7 O5 S","C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3;CS(=O)(=O)N1CCCC(C1)NC(=O)C(CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5","InChI=1S/C34H45N7O5S/c1-47(45,46)40-20-8-11-27(23-40)38-34(44)30(19-16-24-9-4-2-5-10-24)39-32(42)26-17-14-25(15-18-26)21-36-33(43)29-22-37-41(31(29)35)28-12-6-3-7-13-28/h3,6-7,12-15,17-18,22,24,27,30H,2,4-5,8-11,16,19-21,23,35H2,1H3,(H,36,43)(H,38,44)(H,39,42)/t27-,30+/m1/s1","","2020-12-23","2021-02-26","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide","2021-03-03"],["2MP","3,4-DIMETHYLPHENOL","C8 H10 O","Oc1cc(c(cc1)C)C;Cc1ccc(O)cc1C;Cc1ccc(cc1C)O","InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3","","2002-03-19","2011-06-04","3,4-dimethylphenol",""],["2MQ","6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C12 H15 N7 O","O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N;CNc1[nH]c2c(CCN)c3N=C(N)NC(=O)c3cc2n1;CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N","InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20)","","2009-03-02","2011-06-04","6-amino-4-(2-aminoethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["TK6","(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid","C14 H18 O2","O=C(O)Cc1cc2CCCCCCc2cc1;OC(=O)Cc1ccc2CCCCCCc2c1;c1cc2c(cc1CC(=O)O)CCCCCC2","InChI=1S/C14H18O2/c15-14(16)10-11-7-8-12-5-3-1-2-4-6-13(12)9-11/h7-9H,1-6,10H2,(H,15,16)","","2023-05-09","2023-06-09","(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid","2023-06-14"],["TK7","diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","C34 H52 N3 O11 P S","C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4ccc(cc4)N)(=O)=O)O;CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc(N)cc4)cc1)OCC;CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C34H52N3O11PS/c1-5-24(6-2)20-37(50(41,42)28-15-11-26(35)12-16-28)21-31(38)30(36-34(39)48-32-22-44-33-29(32)17-18-43-33)19-25-9-13-27(14-10-25)45-23-49(40,46-7-3)47-8-4/h9-16,24,29-33,38H,5-8,17-23,35H2,1-4H3,(H,36,39)/t29-,30-,31+,32-,33+/m0/s1","","2020-03-23","2021-03-12","diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate","2021-03-17"],["2MR","N3, N4-DIMETHYLARGININE","C8 H18 N4 O2","O=C(O)C(N)CCCNC(=N/C)NC;CNC(NCCC[CH](N)C(O)=O)=NC;CNC(=NC)NCCCC(C(=O)O)N","InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1","","2000-11-03","2024-09-27","N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine",""],["TK8","D-xylonic acid","C5 H10 O6","OC[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(=O)O)O)O)O)O","InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1","(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid; (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid; xylonic acid","2020-12-23","2021-04-09","(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid","2021-04-14"],["2MT","(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID","C6 H11 N O2 S","O=C(O)C1NC(SC1)(C)C;CC1(C)N[CH](CS1)C(O)=O;CC1(NC(CS1)C(=O)O)C","InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1","2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID; (DMT)THIAZOLIDINE","2004-02-16","2024-09-27","(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["TK9","(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid","C21 H22 F3 N O4","CC[CH](Cc1ccc(cc1)C(=O)NCc2ccc(OC)cc2C(F)(F)F)C(O)=O;CCC(Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O","InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-6-15(7-5-13)19(26)25-12-16-8-9-17(29-2)11-18(16)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t14-/m1/s1","","2020-09-01","2021-07-30","(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid","2021-08-04"],["2MU","2',5-DIMETHYLURIDINE-5'-MONOPHOSPHATE","C11 H17 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OC)COP(=O)(O)O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC","InChI=1S/C11H17N2O9P/c1-5-3-13(11(16)12-9(5)15)10-8(20-2)7(14)6(22-10)4-21-23(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8-,10-/m1/s1","","2000-08-09","2011-06-04","5-methyl-2'-O-methyluridine 5'-(dihydrogen phosphate)",""],["TKA","(1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C35 H50 O3","OC6C(=C)C(O)C/C(=CC=C4/CCCC5(C)C(C(C)CC#CC(O)C23CC1CC(CC(C1)C2)C3)CCC45)C6;C[CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)[CH](O)C6;CC(CC#CC(C12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)O)O)C","InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25-,26+,27-,29-,30+,31-,32-,33-,34-,35-/m1/s1","","2012-06-07","2013-06-07","(1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2013-06-12"],["2MV","(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol","C29 H46 O4","OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)C(C)C(O)C2)CCCC34C)(C)C;C[CH]1[CH](O)CC(=CC=C2CCC[C]3(C)[CH]2CC[CH]3[C]4(C)C[CH](CO4)CC(C)(C)O)C(=C)[CH]1O;CC1C(CC(=CC=C2CCCC3(C2CCC3C4(CC(CO4)CC(C)(C)O)C)C)C(=C)C1O)O","InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10-/t19-,20-,23-,24+,25-,26+,28-,29-/m0/s1","","2009-06-25","2011-06-04","(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol",""],["2MX","(2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name)","C49 H62 N18 O8","O=C(O)C(NC(=O)c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3)CCC(=O)NCCCCCCCCCNC(=O)CCC(C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5nc6c(nc5)nc(nc6N)N;CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[CH](CCC(=O)NCCCCCCCCCNC(=O)CC[CH](NC(=O)c4ccc(cc4)N(C)Cc5cnc6nc(N)nc(N)c6n5)C(O)=O)C(O)=O;CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)NCCCCCCCCCNC(=O)CCC(C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O","InChI=1S/C49H62N18O8/c1-66(26-30-24-56-42-38(58-30)40(50)62-48(52)64-42)32-14-10-28(11-15-32)44(70)60-34(46(72)73)18-20-36(68)54-22-8-6-4-3-5-7-9-23-55-37(69)21-19-35(47(74)75)61-45(71)29-12-16-33(17-13-29)67(2)27-31-25-57-43-39(59-31)41(51)63-49(53)65-43/h10-17,24-25,34-35H,3-9,18-23,26-27H2,1-2H3,(H,54,68)(H,55,69)(H,60,70)(H,61,71)(H,72,73)(H,74,75)(H4,50,52,56,62,64)(H4,51,53,57,63,65)/t34-,35-/m0/s1","","2010-09-02","2011-06-04","(2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis{2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]-5-oxopentanoic acid} (non-preferred name)",""],["TKB","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide","C29 H43 N7 O5 S","Cn1ncc(C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N[CH]4CCCN(C4)[S](C)(=O)=O)c1N;Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)NC(CCC3CCCCC3)C(=O)NC4CCCN(C4)S(=O)(=O)C)N","InChI=1S/C29H43N7O5S/c1-35-26(30)24(18-32-35)28(38)31-17-21-10-13-22(14-11-21)27(37)34-25(15-12-20-7-4-3-5-8-20)29(39)33-23-9-6-16-36(19-23)42(2,40)41/h10-11,13-14,18,20,23,25H,3-9,12,15-17,19,30H2,1-2H3,(H,31,38)(H,33,39)(H,34,37)/t23-,25+/m1/s1","","2020-12-23","2021-02-26","5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide","2021-03-03"],["TKC","(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid","C15 H23 N6 O16 P3","N[CH](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)CCC(C(=O)O)N)O)O)N","InChI=1S/C15H23N6O16P3/c16-6(15(25)26)1-2-8(22)35-39(29,30)37-40(31,32)36-38(27,28)33-3-7-10(23)11(24)14(34-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7-,10-,11+,14-/m1/s1","","2023-04-26","2024-04-12","(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid","2024-04-17"],["2MY","2,6-dimethylphenol","C8 H10 O","Oc1c(cccc1C)C;Cc1cccc(C)c1O;Cc1cccc(c1O)C","InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3","","2008-10-31","2011-06-04","2,6-dimethylphenol",""],["2MZ","2-METHYLIMIDAZOLE","C4 H6 N2","n1ccnc1C;Cc1[nH]ccn1;Cc1[nH]ccn1","InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)","","1999-07-08","2011-06-04","2-methyl-1H-imidazole",""],["TKD","(1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C36 H52 O3","OC6C(=C)C(O)C/C(=CC=C4/CCCC5(C)C(C(C)CC#CC(O)CC13CC2CC(C1)CC(C2)C3)CCC45)C6;C[CH](CC#C[CH](O)CC12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)[CH](O)C6;CC(CC#CC(CC12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)O)O)C","InChI=1S/C36H52O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h9-10,23,26-28,30-34,37-39H,2,5-7,11-22H2,1,3H3/b29-10+/t23-,26-,27+,28-,30-,31-,32+,33-,34-,35-,36-/m1/s1","","2012-06-07","2013-06-07","(1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","2013-06-12"],["TKE","1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea","C15 H16 I N3 O2 S2","N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1;c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N","InChI=1S/C15H16IN3O2S2/c16-12-3-5-13(6-4-12)19-15(22)18-10-9-11-1-7-14(8-2-11)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)","","2021-01-04","2022-01-07","1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea","2022-01-12"],["2N0","1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one","C17 H19 N O","O=C2c1cc(n(c1CCC2)Cc3ccccc3)CC;CCc1cc2C(=O)CCCc2n1Cc3ccccc3;CCc1cc2c(n1Cc3ccccc3)CCCC2=O","InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3","","2014-04-17","2014-09-05","1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one","2014-05-07"],["TKF","(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide","C27 H23 F3 N6 O S","FC(F)(F)c1ccc(cc1)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1;FC(F)(F)c1ccc(cc1)n2cc3c(ncnc3N4CCC[CH](C4)C(=O)NCc5ccc6sccc6c5)n2;c1cc(ccc1C(F)(F)F)n2cc3c(n2)ncnc3N4CCCC(C4)C(=O)NCc5ccc6c(c5)ccs6","InChI=1S/C27H23F3N6OS/c28-27(29,30)20-4-6-21(7-5-20)36-15-22-24(34-36)32-16-33-25(22)35-10-1-2-19(14-35)26(37)31-13-17-3-8-23-18(12-17)9-11-38-23/h3-9,11-12,15-16,19H,1-2,10,13-14H2,(H,31,37)/t19-/m0/s1","","2022-07-26","2023-03-03","(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide","2023-03-08"],["2N2","2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid","C27 H26 N2 O7 S","O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4;OC(=O)CCCCCNC(=S)Nc1ccc(C2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O;c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O","InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)","","2013-12-05","2024-09-27","2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid","2014-02-26"],["2N5","2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide","C20 H21 F N2 O5 S","O=S(=O)(Nc3c(OC(C)C)cc1c(oc(c1C(=O)NC)c2ccc(F)cc2)c3)C;CNC(=O)c1c(oc2cc(N[S](C)(=O)=O)c(OC(C)C)cc12)c3ccc(F)cc3;CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F","InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)","","2013-12-09","2014-03-14","2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide","2014-03-19"],["TKG","1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone","C10 H9 N5 O3","C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O;CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O;CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C","InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18)","","2020-03-24","2024-09-27","N-(6-acetyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide","2020-08-05"],["TKH","[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol","C16 H9 Br F2 N2 O","Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3;c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O","InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H","","2021-01-05","2024-09-27","4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde","2021-06-16"],["2N6","4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C16 H14 N4 S","N#Cc2c1c(nc(nc1nc2)SC)c3ccc(cc3C)C;CSc1nc2[nH]cc(C#N)c2c(n1)c3ccc(C)cc3C;Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N","InChI=1S/C16H14N4S/c1-9-4-5-12(10(2)6-9)14-13-11(7-17)8-18-15(13)20-16(19-14)21-3/h4-6,8H,1-3H3,(H,18,19,20)","","2012-06-06","2012-10-19","4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2012-10-19"],["TKI","2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid","C10 H16 N4 O2","CCc1nc(CC)nc(n1)N(C)CC(O)=O;CCc1nc(nc(n1)N(C)CC(=O)O)CC","InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)","2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor)","2023-01-06","2024-09-27","2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid","2023-11-29"],["2N7","(1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide","C36 H45 N5 O5 S","O=S(=O)(N(C)C)NC(=O)c1ccc7c(c1)n6c(c2ccc(OC)cc2C5CC5(C(=O)N3C4CCC3CN(C)C4)C6)c7C8CCCCC8;COc1ccc2c(c1)[CH]3C[C]3(Cn4c5cc(ccc5c(C6CCCCC6)c24)C(=O)N[S](=O)(=O)N(C)C)C(=O)N7[CH]8CC[CH]7CN(C)C8;CN1CC2CCC(C1)N2C(=O)C34CC3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC","InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1","","2013-12-09","2014-03-14","(1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide","2014-03-19"],["TKJ","4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione","C29 H30 F N O6 S2","C5(C(=O)N4CC(S(c1ccc(F)cc1)(=O)=O)(c3ccc(OCc2ccccc2)cc3)CC4)CCS(CC5)(=O)=O;Fc1ccc(cc1)[S](=O)(=O)[C]2(CCN(C2)C(=O)C3CC[S](=O)(=O)CC3)c4ccc(OCc5ccccc5)cc4;c1ccc(cc1)COc2ccc(cc2)C3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F","InChI=1S/C29H30FNO6S2/c30-25-8-12-27(13-9-25)39(35,36)29(16-17-31(21-29)28(32)23-14-18-38(33,34)19-15-23)24-6-10-26(11-7-24)37-20-22-4-2-1-3-5-22/h1-13,23H,14-21H2/t29-/m0/s1","","2020-03-24","2020-04-24","4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione","2020-04-29"],["2N8","(2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide","C19 H20 Cl N3 O4 S","O=C(Nc1nccnc1)C(c2ccc(c(Cl)c2)S(=O)(=O)C)CC3CC(=O)CC3;C[S](=O)(=O)c1ccc(cc1Cl)[CH](C[CH]2CCC(=O)C2)C(=O)Nc3cnccn3;CS(=O)(=O)c1ccc(cc1Cl)C(CC2CCC(=O)C2)C(=O)Nc3cnccn3","InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1","","2013-12-09","2014-10-24","(2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide","2014-10-29"],["2N9","ethyl 4-aminoquinoline-3-carboxylate","C12 H12 N2 O2","O=C(OCC)c1c(c2ccccc2nc1)N;CCOC(=O)c1cnc2ccccc2c1N;CCOC(=O)c1cnc2ccccc2c1N","InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14)","","2013-12-10","2013-12-13","ethyl 4-aminoquinoline-3-carboxylate","2013-12-18"],["TKK","1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole","C16 H10 Br2 N2 O","Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3;c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br","InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H","","2021-01-06","2024-09-27","2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde","2021-06-16"],["TKL","(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid","C13 H25 N5 O2","O=C(C(n1cc(nn1)C(CCCCN)N)CC(C)C)O;CC(C)C[CH](n1cc(nn1)[CH](N)CCCCN)C(O)=O;CC(C)CC(C(=O)O)n1cc(nn1)C(CCCCN)N","InChI=1S/C13H25N5O2/c1-9(2)7-12(13(19)20)18-8-11(16-17-18)10(15)5-3-4-6-14/h8-10,12H,3-7,14-15H2,1-2H3,(H,19,20)/t10-,12-/m0/s1","","2005-07-29","2024-09-27","(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid",""],["2NA","naphthalen-2-ylmethanol","C11 H10 O","OCc2ccc1c(cccc1)c2;OCc1ccc2ccccc2c1;c1ccc2cc(ccc2c1)CO","InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2","Naphthalenemethanol","2008-09-10","2020-06-17","naphthalen-2-ylmethanol",""],["TKM","1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid","C9 H12 N2 O3","O=C(O)c1ccnn1C1CCOCC1;OC(=O)c1ccnn1C2CCOCC2;c1cnn(c1C(=O)O)C2CCOCC2","InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13)","","2023-08-28","2023-11-24","1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid","2023-11-29"],["2NB","3-nitroquinolin-4-amine","C9 H7 N3 O2","[O-][N+](=O)c1c(c2ccccc2nc1)N;Nc1c2ccccc2ncc1[N+]([O-])=O;c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N","InChI=1S/C9H7N3O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H,(H2,10,11)","","2013-12-10","2013-12-13","3-nitroquinolin-4-amine","2013-12-18"],["TKN","methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate","C30 H36 N2 O3","COC(=O)c1c(CCCCCC=CCNc2c3CCCCc3nc4ccccc24)cccc1OC;COc1cccc(c1C(=O)OC)CCCCCC=CCNc2c3ccccc3nc4c2CCCC4","InChI=1S/C30H36N2O3/c1-34-27-20-13-15-22(28(27)30(33)35-2)14-7-5-3-4-6-12-21-31-29-23-16-8-10-18-25(23)32-26-19-11-9-17-24(26)29/h6,8,10,12-13,15-16,18,20H,3-5,7,9,11,14,17,19,21H2,1-2H3,(H,31,32)/b12-6+","","2021-01-07","2021-04-23","methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate","2021-04-28"],["2NC","N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide","C35 H68 N11 O8","O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C;CCCC[CH](CN[CH](CCCC)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CCCNC(N)=[NH2+])C(N)=O)NC(=O)[CH](NC(=O)[CH](NC(C)=O)[CH](C)O)[CH](C)CC;CCCCC(CNC(CCCC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=[NH2+])N)C(=O)N)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C","InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1","p2/NC","2008-03-24","2021-03-01","N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide",""],["TKO","(4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine","C12 H8 Br N3 O","Brc1cc2c(nc(N)nc2cc1)c1ccco1;Nc1nc2ccc(Br)cc2c(n1)c3occc3;c1cc(oc1)c2c3cc(ccc3nc(n2)N)Br","InChI=1S/C12H8BrN3O/c13-7-3-4-9-8(6-7)11(16-12(14)15-9)10-2-1-5-17-10/h1-6H,(H2,14,15,16)","","2022-07-27","2022-08-05","(4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine","2022-08-10"],["2ND","2'-DEOXYINOSINE","C10 H12 N4 O4","O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)CO;OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3CC(C(O3)CO)O)N=CNC2=O","InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1","","2005-03-15","2011-06-04","2'-deoxyinosine",""],["TKP","2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","C27 H40 Cl N3 O5","CC(C)(COC(=O)NC(CC1CCCCC1)C(NC(CC2C(=O)NCC2)CO)=O)c3cc(ccc3)Cl;CC(C)(COC(=O)N[CH](CC1CCCCC1)C(=O)N[CH](CO)C[CH]2CCNC2=O)c3cccc(Cl)c3;CC(C)(COC(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO)c3cccc(c3)Cl","InChI=1S/C27H40ClN3O5/c1-27(2,20-9-6-10-21(28)15-20)17-36-26(35)31-23(13-18-7-4-3-5-8-18)25(34)30-22(16-32)14-19-11-12-29-24(19)33/h6,9-10,15,18-19,22-23,32H,3-5,7-8,11-14,16-17H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t19-,22-,23-/m0/s1","","2020-03-24","2024-09-27","2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2020-09-30"],["2NE","Salicylyl CoA","C28 H40 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccccc4O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O","InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1","","2012-12-20","2013-05-03","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxybenzenecarbothioate (non-preferred name)","2013-05-08"],["2NF","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]\n[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate","C21 H26 F N7 O13 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N","InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1","nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide","2009-03-27","2024-09-27","[(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["TKQ","1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea","C15 H16 I N3 O3 S","N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1;c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N","InChI=1S/C15H16IN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)","","2021-01-07","2022-01-07","1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea","2022-01-12"],["TKR","[1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate","C14 H21 N5 O6 S","N[S](=O)(=O)c1ccc(CCNC(=O)CN2CC(COC(O)=O)NN2)cc1;c1cc(ccc1CCNC(=O)CN2CC(NN2)COC(=O)O)S(=O)(=O)N","InChI=1S/C14H21N5O6S/c15-26(23,24)12-3-1-10(2-4-12)5-6-16-13(20)8-19-7-11(17-18-19)9-25-14(21)22/h1-4,11,17-18H,5-9H2,(H,16,20)(H,21,22)(H2,15,23,24)","","2023-01-10","2023-01-13","[1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate","2023-01-18"],["2NG","4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid","C25 H19 N3 O10 S2","[O-][N+](=O)c1cccc(c1)C(=O)Nc2c(ccc(c2)C(=O)Nc3ccc(c4cccc(c34)S(=O)(=O)O)S(=O)(=O)O)C;Cc1ccc(cc1NC(=O)c2cccc(c2)[N+]([O-])=O)C(=O)Nc3ccc(c4cccc(c34)[S](O)(=O)=O)[S](O)(=O)=O;Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C25H19N3O10S2/c1-14-8-9-16(13-20(14)27-24(29)15-4-2-5-17(12-15)28(31)32)25(30)26-19-10-11-21(39(33,34)35)18-6-3-7-22(23(18)19)40(36,37)38/h2-13H,1H3,(H,26,30)(H,27,29)(H,33,34,35)(H,36,37,38)","","2013-12-10","2014-10-10","4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid","2014-10-15"],["2NH","N-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-L-ISOLEUCYL-L-METHIONINE","C36 H62 N4 O6 S2","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)C(C)CC)C(C)C)CSCC=C(/C)CCC=C(/C)CCC=C(/C)C)C;CC[CH](C)[CH](NC(=O)[CH](NC(=O)[CH](CSCC=C(C)CCC=C(C)CCC=C(C)C)NC(C)=O)C(C)C)C(=O)N[CH](CCSC)C(O)=O;CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CSCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C","InChI=1S/C36H62N4O6S2/c1-11-27(8)32(35(44)38-29(36(45)46)19-20-47-10)40-34(43)31(24(4)5)39-33(42)30(37-28(9)41)22-48-21-18-26(7)17-13-16-25(6)15-12-14-23(2)3/h14,16,18,24,27,29-32H,11-13,15,17,19-22H2,1-10H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)(H,45,46)/b25-16+,26-18+/t27-,29-,30-,31-,32-/m0/s1","","2003-04-25","2011-06-04","N-acetyl-S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-L-cysteinyl-L-valyl-L-isoleucyl-L-methionine",""],["TKS","2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate","C27 H40 Cl N3 O5 S","C1C(CCCC1)CC(C(NC(C(S)O)CC2C(=O)NCC2)=O)NC(=O)OCC(C)(C)c3cc(Cl)ccc3;CC(C)(COC(=O)N[CH](CC1CCCCC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)S)c3cccc(Cl)c3;CC(C)(COC(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)C(O)S)c3cccc(c3)Cl","InChI=1S/C27H40ClN3O5S/c1-27(2,19-9-6-10-20(28)15-19)16-36-26(35)31-21(13-17-7-4-3-5-8-17)24(33)30-22(25(34)37)14-18-11-12-29-23(18)32/h6,9-10,15,17-18,21-22,25,34,37H,3-5,7-8,11-14,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,35)/t18-,21-,22-,25+/m0/s1","","2020-03-24","2024-09-27","2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2020-09-30"],["TKT","(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE","C17 H20 N2 O2","O=C(OC2CC1N(C)C(CC1)C2)c4c3ccccc3nc4;CN1[CH]2CC[CH]1CC(C2)OC(=O)c3c[nH]c4ccccc34;CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccc4","InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+","TROPISETRON","2009-07-08","2021-03-01","(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate",""],["2NI","N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA","C17 H17 N3 O3","N#Cc2ccc(c1ccc(OCCN(C(=O)NO)C)cc1)cc2;CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO;CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO","InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)","","2005-05-18","2011-06-04","1-{2-[(4'-cyanobiphenyl-4-yl)oxy]ethyl}-3-hydroxy-1-methylurea",""],["2NJ","(4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","C16 H16 N2 O","O=C3N(c1ccccc1NC(c2ccccc2)C3)C;CN1C(=O)C[CH](Nc2ccccc12)c3ccccc3;CN1c2ccccc2NC(CC1=O)c3ccccc3","InChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1","","2014-04-17","2014-09-05","(4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","2014-05-14"],["TKU","~{O}1-[(2~{R})-2-ethylhexyl] ~{O}2-[(2~{S})-2-ethylhexyl] benzene-1,2-dicarboxylate","C24 H38 O4","CCCC[CH](CC)COC(=O)c1ccccc1C(=O)OC[CH](CC)CCCC;CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20+","Bis(2-ethylhexyl) phthalate; Diethylhexyl phthalate; 1-O-[(2S)-2-ethylhexyl] 2-O-[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate","2023-04-26","2024-12-20","~{O}1-[(2~{R})-2-ethylhexyl] ~{O}2-[(2~{S})-2-ethylhexyl] benzene-1,2-dicarboxylate","2024-12-25"],["TKV","N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide","C24 H36 Cl N3 O5 S","CC(COC(=O)NC(C(NC(C(S)O)CC1C(=O)NCC1)=O)CC(C)C)(c2cc(Cl)ccc2)C;CC(C)C[CH](NC(=O)OCC(C)(C)c1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)S;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl","InChI=1S/C24H36ClN3O5S/c1-14(2)10-18(21(30)27-19(22(31)34)11-15-8-9-26-20(15)29)28-23(32)33-13-24(3,4)16-6-5-7-17(25)12-16/h5-7,12,14-15,18-19,22,31,34H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)/t15-,18-,19-,22+/m0/s1","","2020-03-24","2024-09-27","N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide","2020-09-30"],["2NK","2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol","C22 H21 F2 N3 O","Fc1cc(cc(F)c1O)c2cnccc2c3ccc(cc3)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(F)c(O)c(F)c4;CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F","InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3","","2013-12-10","2014-02-28","2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol","2014-03-05"],["TKW","5-hydroxycytidine 5'-(dihydrogen phosphate)","C9 H14 N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(O)=C1)C(O)C2O;NC1=NC(=O)N(C=C1O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)O","InChI=1S/C9H14N3O9P/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-15H,2H2,(H2,10,11,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2012-10-18","2026-03-18","5-hydroxycytidine 5'-(dihydrogen phosphate)","2012-11-09"],["2NL","2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide","C14 H14 Cl N3 O2","O=C(NC)COc2cc(Nc1nccc(Cl)c1)ccc2;CNC(=O)COc1cccc(Nc2cc(Cl)ccn2)c1;CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl","InChI=1S/C14H14ClN3O2/c1-16-14(19)9-20-12-4-2-3-11(8-12)18-13-7-10(15)5-6-17-13/h2-8H,9H2,1H3,(H,16,19)(H,17,18)","","2014-04-17","2014-09-05","2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide","2014-06-25"],["TKX","5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde","C13 H8 Br Cl N2 O4","O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(c1)[N+]([O-])=O;[O-][N+](=O)c1cc(COc2cc(Br)cnc2C=O)ccc1Cl;c1cc(c(cc1COc2cc(cnc2C=O)Br)[N+](=O)[O-])Cl","InChI=1S/C13H8BrClN2O4/c14-9-4-13(11(6-18)16-5-9)21-7-8-1-2-10(15)12(3-8)17(19)20/h1-6H,7H2","","2022-07-27","2024-09-27","5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde","2023-06-28"],["2NM","3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole","C11 H9 F3 N2 O","FC(F)(F)c1cc(nn1)c2cc(OC)ccc2;COc1cccc(c1)c2cc([nH]n2)C(F)(F)F;COc1cccc(c1)c2cc([nH]n2)C(F)(F)F","InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)","","2014-04-18","2014-09-05","3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole","2014-06-25"],["TKY","14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate","C62 H79 F2 N9 O12","C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O;CN[CH](C)C(=O)N[CH](C(=O)N1Cc2cc(OCCOCCOCCOCCOCCOC(=O)N3CCC[CH](C3)n4nc(c5ccc(Oc6ccc(F)cc6F)cc5)c(C(N)=O)c4N)ccc2C[CH]1C(=O)N[CH]7CCCc8ccccc78)C(C)(C)C;CC(C(=O)NC(C(=O)N1Cc2cc(ccc2CC1C(=O)NC3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC","InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1","","2020-03-24","2020-11-13","14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate","2020-11-18"],["2NO","NITROGEN DIOXIDE","N O2","ON=O;[O]N=O;N(=O)[O]","InChI=1S/HNO2/c2-1-3/h(H,2,3)","","1999-07-08","2024-09-27","nitrous acid",""],["TKZ","(((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid","C33 H39 N5 O10 S","COC(=O)CCN1CCCc2cc(ccc12)c3sc(cc3)C=C(C#N)C(=O)NCCCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)C=C(C#N)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C33H39N5O10S/c1-48-29(41)13-16-38-15-4-5-20-17-21(7-10-26(20)38)27-11-8-23(49-27)18-22(19-34)30(42)35-14-3-2-6-24(31(43)44)36-33(47)37-25(32(45)46)9-12-28(39)40/h7-8,10-11,17-18,24-25H,2-6,9,12-16H2,1H3,(H,35,42)(H,39,40)(H,43,44)(H,45,46)(H2,36,37,47)/b22-18+/t24-,25-/m0/s1","(2~{S})-2-[[(2~{S})-6-[[(~{E})-2-cyano-3-[5-[1-(3-methoxy-3-oxidanylidene-propyl)-3,4-dihydro-2~{H}-quinolin-6-yl]thiophen-2-yl]prop-2-enoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid; (2S)-2-[[(2S)-6-[[(E)-2-cyano-3-[5-[1-(3-methoxy-3-oxidanylidene-propyl)-3,4-dihydro-2H-quinolin-6-yl]thiophen-2-yl]prop-2-enoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid; Glu-490; DXJ30","2021-01-07","2021-08-13","(2~{S})-2-[[(2~{S})-6-[[(~{E})-2-cyano-3-[5-[1-(3-methoxy-3-oxidanylidene-propyl)-3,4-dihydro-2~{H}-quinolin-6-yl]thiophen-2-yl]prop-2-enoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid","2021-08-18"],["2NP","L-2-AMINO-6-METHYLENE-PIMELIC ACID","C8 H13 N O4","O=C(O)/C(=C)CCCC(N)C(=O)O;N[CH](CCCC(=C)C(O)=O)C(O)=O;C=C(CCCC(C(=O)O)N)C(=O)O","InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1","","2000-05-24","2011-06-04","(2S)-2-amino-6-methylideneheptanedioic acid",""],["TL","THALLIUM (I) ION","Tl","[Tl+];[Tl+];[Tl+]","InChI=1S/Tl/q+1","","1999-07-08","2011-06-04","thallium(1+)",""],["2NQ","N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide","C24 H20 Cl F N4 O3 S","Fc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2Cl)c4cc3c(ccnc3cc4)N5CCOCC5;Fc1ccc(cc1)[S](=O)(=O)Nc2cc(cnc2Cl)c3ccc4nccc(N5CCOCC5)c4c3;c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5","InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2","","2011-05-19","2011-06-04","N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide",""],["2NR","7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine","C23 H21 F N2 O5","Fc4cccc(OC)c4c1cccc2nc(oc12)Nc3cc(OC)c(OC)c(OC)c3;COc1cc(Nc2oc3c(cccc3c4c(F)cccc4OC)n2)cc(OC)c1OC;COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F","InChI=1S/C23H21FN2O5/c1-27-17-10-6-8-15(24)20(17)14-7-5-9-16-21(14)31-23(26-16)25-13-11-18(28-2)22(30-4)19(12-13)29-3/h5-12H,1-4H3,(H,25,26)","","2013-12-10","2014-02-14","7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine","2014-02-19"],["TL0","2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate","C33 H43 F N6 O4 S","CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN(CCN[S](=O)(=O)c5ccc(CC(C)C)cc5)CC4)nn3;CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)Cn3cc(nn3)c4c5cc(ccc5[nH]c4C(=O)OCC(C)C)F","InChI=1S/C33H43FN6O4S/c1-22(2)17-24-5-8-27(9-6-24)45(42,43)35-13-16-39-14-11-25(12-15-39)19-40-20-30(37-38-40)31-28-18-26(34)7-10-29(28)36-32(31)33(41)44-21-23(3)4/h5-10,18,20,22-23,25,35-36H,11-17,19,21H2,1-4H3","","2023-01-11","2024-01-19","2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate","2024-01-24"],["TL1","2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL","C20 H22 N4 O4","O(c1cc(C(=[N@H])N)ccc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3;NC(=N)c1cccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4cccc(c4)C(N)=N)c1;c1cc(cc(c1)OC2COC3C2OCC3Oc4cccc(c4)C(=N)N)C(=N)N","InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1","2,5-O,O-BIS-(3',3\"-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL","2004-12-08","2021-03-13","1,4:3,6-dianhydro-2,5-bis-O-(3-carbamimidoylphenyl)-D-glucitol",""],["2NS","7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine","C23 H20 N4 O4","O(c1cc(cc(OC)c1OC)Nc2nc3cccc(c3o2)c5cccc4ncnc45)C;COc1cc(Nc2oc3c(cccc3c4cccc5nc[nH]c45)n2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5","InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)","","2013-12-10","2014-02-14","7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine","2014-02-19"],["TL2","2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL","C20 H22 N4 O4","O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3;NC(=N)c1ccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4cccc(c4)C(N)=N)cc1;[H]N=C(c1ccc(cc1)OC2COC3C2OCC3Oc4cccc(c4)C(=N)N)N","InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1","2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL","2004-12-08","2020-06-17","1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol",""],["2NT","2'-O-[2-[HYDROXY(METHYLENEAMINO)OXY]ETHYL THYMIDINE-5'-MONOPHOSPHATE","C13 H22 N3 O11 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCONCO)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCONCO)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCONCO","InChI=1S/C13H22N3O11P/c1-7-4-16(13(20)15-11(7)19)12-10(24-2-3-25-14-6-17)9(18)8(27-12)5-26-28(21,22)23/h4,8-10,12,14,17-18H,2-3,5-6H2,1H3,(H,15,19,20)(H2,21,22,23)/t8-,9-,10-,12-/m1/s1","","2004-12-13","2011-06-04","2'-O-(2-{[(hydroxymethyl)amino]oxy}ethyl)-5-methyluridine 5'-(dihydrogen phosphate)",""],["TL3","2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL","C20 H22 N4 O4","O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3;NC(=N)c1ccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4ccc(cc4)C(N)=N)cc1;c1cc(ccc1C(=N)N)OC2COC3C2OCC3Oc4ccc(cc4)C(=N)N","InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1","2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL","2004-12-08","2020-06-17","1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol",""],["2NU","2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide","C9 H12 Br N3 O","CN(C1CC1)C(=O)Cn2cc(Br)cn2;CN(C1CC1)C(=O)Cn2cc(cn2)Br","InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3","","2021-06-23","2021-12-03","2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide","2021-12-08"],["2NV","3,6,9,12,15-pentaoxaoctadecan-17-amine","C13 H29 N O5","NC(C)COCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOC[CH](C)N;CCOCCOCCOCCOCCOCC(C)N","InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1","Jeffamine ED-2001","2014-04-21","2021-03-01","(17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine","2014-04-30"],["TL4","2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL","C20 H22 N4 O4","O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3;NC(=N)c1ccc(O[CH]2CO[CH]3[CH](CO[CH]23)Oc4cccc(c4)C(N)=N)cc1;c1cc(cc(c1)OC2COC3C2OCC3Oc4ccc(cc4)C(=N)N)C(=N)N","InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1","2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL","2004-12-08","2020-06-17","1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol",""],["TL5","(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE","C12 H16 O2 S","O=C1SC(/C=C(/C=C/C)C)(C(O)=C1C)C;CC=CC(C)=C[C]1(C)SC(=O)C(=C1O)C;CC=CC(=CC1(C(=C(C(=O)S1)C)O)C)C","InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,13H,1-4H3/b6-5+,8-7+/t12-/m1/s1","","2005-08-29","2011-06-04","(5R)-4-hydroxy-3,5-dimethyl-5-[(1E,3E)-2-methylpenta-1,3-dien-1-yl]thiophen-2(5H)-one",""],["2NW","3-bromoquinolin-4-amine","C9 H7 Br N2","Brc1c(c2ccccc2nc1)N;Nc1c(Br)cnc2ccccc12;c1ccc2c(c1)c(c(cn2)Br)N","InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)","","2013-12-11","2013-12-20","3-bromoquinolin-4-amine","2013-12-25"],["TL6","(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE","C10 H12 O2 S","O=C1SC(/C=C/C=C)(C(O)=C1C)C;CC1=C(O)[C](C)(SC1=O)C=CC=C;CC1=C(C(SC1=O)(C)C=CC=C)O","InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-6,11H,1H2,2-3H3/b6-5+/t10-/m1/s1","","2005-08-29","2011-06-04","(5R)-5-[(1E)-buta-1,3-dien-1-yl]-4-hydroxy-3,5-dimethylthiophen-2(5H)-one",""],["2NX","dimethyl benzoylphosphoramidate","C9 H12 N O4 P","O=C(NP(=O)(OC)OC)c1ccccc1;CO[P](=O)(NC(=O)c1ccccc1)OC;COP(=O)(NC(=O)c1ccccc1)OC","InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12)","","2013-12-11","2013-12-20","dimethyl benzoylphosphoramidate","2013-12-25"],["TL7","[5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate","C58 H65 F2 N11 O8","c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O;CN[CH](C)C(=O)N[CH](C(=O)N1Cc2cc(OCc3cnc(COC(=O)N4CCC[CH](C4)n5nc(c6ccc(Oc7ccc(F)cc7F)cc6)c(C(N)=O)c5N)cn3)ccc2C[CH]1C(=O)N[CH]8CCCc9ccccc89)C(C)(C)C;CC(C(=O)NC(C(=O)N1Cc2cc(ccc2CC1C(=O)NC3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCCC(C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC","InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1","","2020-03-25","2020-11-13","[5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate","2020-11-18"],["2NY","N~2~,N~2~-diethylquinazoline-2,4-diamine","C12 H16 N4","n2c1c(cccc1)c(nc2N(CC)CC)N;CCN(CC)c1nc(N)c2ccccc2n1;CCN(CC)c1nc2ccccc2c(n1)N","InChI=1S/C12H16N4/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15)","","2013-12-11","2013-12-20","N~2~,N~2~-diethylquinazoline-2,4-diamine","2013-12-25"],["TL8","2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde","C17 H14 N2 O2","COc1cc(ccc1C=O)n2ccnc2c3ccccc3;COc1cc(ccc1C=O)n2ccnc2c3ccccc3","InChI=1S/C17H14N2O2/c1-21-16-11-15(8-7-14(16)12-20)19-10-9-18-17(19)13-5-3-2-4-6-13/h2-12H,1H3","","2021-01-08","2024-09-27","2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde","2021-06-16"],["2NZ","1-(1H-benzimidazol-1-yl)propan-2-one","C10 H10 N2 O","O=C(C)Cn1c2ccccc2nc1;CC(=O)Cn1cnc2ccccc12;CC(=O)Cn1cnc2c1cccc2","InChI=1S/C10H10N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3","","2013-12-11","2013-12-20","1-(1H-benzimidazol-1-yl)propan-2-one","2013-12-25"],["TLA","L(+)-TARTARIC ACID","C4 H6 O6","O=C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)O","InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1","","2002-01-22","2024-09-27","(2R,3R)-2,3-dihydroxybutanedioic acid",""],["2O0","3-(1H-benzimidazol-1-yl)propanamide","C10 H11 N3 O","O=C(N)CCn1c2ccccc2nc1;NC(=O)CCn1cnc2ccccc12;c1ccc2c(c1)ncn2CCC(=O)N","InChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14)","","2013-12-12","2013-12-20","3-(1H-benzimidazol-1-yl)propanamide","2013-12-25"],["2O1","2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one","C12 H10 N2 O","O=C3c2cnc1ccccc1c2NCC3;O=C1CCNc2c1cnc3ccccc23;c1ccc2c(c1)c3c(cn2)C(=O)CCN3","InChI=1S/C12H10N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h1-4,7,13H,5-6H2","","2013-12-12","2013-12-20","2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one","2013-12-25"],["TLB","2'-O,3'-C-METHYLENE-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE","C11 H15 N2 O9 P","O=C1C(=CN(C(=O)N1)C3OC(C2(O)COC23)COP(=O)(O)O)C;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[C]3(O)CO[CH]23)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C3C(CO3)(C(O2)COP(=O)(O)O)O","InChI=1S/C11H15N2O9P/c1-5-2-13(10(15)12-8(5)14)9-7-11(16,4-20-7)6(22-9)3-21-23(17,18)19/h2,6-7,9,16H,3-4H2,1H3,(H,12,14,15)(H2,17,18,19)/t6-,7-,9-,11-/m1/s1","","2003-02-07","2011-06-04","[(1R,2R,4R,5S)-1-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,6-dioxabicyclo[3.2.0]hept-2-yl]methyl dihydrogen phosphate",""],["TLC","2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE","C12 H17 N2 O9 P","O=C1C(=CN(C(=O)N1)C3OC(C2(O)CCOC23)COP(=O)(O)O)C;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[C]3(O)CCO[CH]23)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C3C(CCO3)(C(O2)COP(=O)(O)O)O","InChI=1S/C12H17N2O9P/c1-6-4-14(11(16)13-9(6)15)10-8-12(17,2-3-21-8)7(23-10)5-22-24(18,19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,13,15,16)(H2,18,19,20)/t7-,8-,10-,12-/m1/s1","[3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE","2000-02-25","2020-06-17","[(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl dihydrogen phosphate",""],["2O2","1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione","C18 H20 N2 O11 P2","O=P(O)(O)/C=C/C1=CN(C(=O)NC1=O)C4OC2C(OC(OC2)(c3ccccc3)P(=O)(O)O)C4;O[P](O)(=O)C=CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O;c1ccc(cc1)C2(OCC3C(O2)CC(O3)N4C=C(C(=O)NC4=O)C=CP(=O)(O)O)P(=O)(O)O","InChI=1S/C18H20N2O11P2/c21-16-11(6-7-32(23,24)25)9-20(17(22)19-16)15-8-13-14(30-15)10-29-18(31-13,33(26,27)28)12-4-2-1-3-5-12/h1-7,9,13-15H,8,10H2,(H,19,21,22)(H2,23,24,25)(H2,26,27,28)/b7-6+/t13-,14-,15-,18-/m1/s1","","2013-12-12","2015-09-04","1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione","2015-09-09"],["TLD","4-methylbenzene-1,2-dithiol","C7 H8 S2","Sc1ccc(cc1S)C;Cc1ccc(S)c(S)c1;Cc1ccc(c(c1)S)S","InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3","Toluene-3,4-dithiol","2007-09-25","2020-06-17","4-methylbenzene-1,2-dithiol",""],["2O3","(3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide","C22 H26 N4 O2","O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3ccccc3CCC4;C[CH]1Nc2c(NC1=O)cccc2C(=O)NCCCN3CCCc4ccccc34;CC1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4","InChI=1S/C22H26N4O2/c1-15-21(27)25-18-10-4-9-17(20(18)24-15)22(28)23-12-6-14-26-13-5-8-16-7-2-3-11-19(16)26/h2-4,7,9-11,15,24H,5-6,8,12-14H2,1H3,(H,23,28)(H,25,27)/t15-/m1/s1","","2013-12-12","2014-01-24","(3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide","2014-01-29"],["TLE","(5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one","C12 H16 O2 S","O=C1SC(/C=C(/C=C)C)(C(O)=C1CC)C;CCC1=C(O)[C](C)(SC1=O)C=C(C)C=C;CCC1=C(C(SC1=O)(C)C=C(C)C=C)O","InChI=1S/C12H16O2S/c1-5-8(3)7-12(4)10(13)9(6-2)11(14)15-12/h5,7,13H,1,6H2,2-4H3/b8-7+/t12-/m1/s1","","2013-09-19","2013-10-04","(5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one","2013-10-09"],["2O4","(3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide","C23 H28 N4 O3","O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3cc(OC)ccc3CCC4;COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[CH](C)Nc34)c2c1;CC1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC","InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1","","2013-12-12","2014-01-24","(3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide","2014-01-29"],["TLF","2-[(3-chloro-2-methylphenyl)amino]benzoic acid","C14 H12 Cl N O2","Clc2cccc(Nc1ccccc1C(=O)O)c2C;Cc1c(Cl)cccc1Nc2ccccc2C(O)=O;Cc1c(cccc1Cl)Nc2ccccc2C(=O)O","InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)","Tolfenamic acid","2012-08-16","2021-03-01","2-[(3-chloro-2-methylphenyl)amino]benzoic acid","2012-08-24"],["2O5","(4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid","C20 H17 Cl N4 O2","O=C(O)Cc1ccc(cc1)Nc2nc(nc(n2)C3CC3)c4cccc(Cl)c4;OC(=O)Cc1ccc(Nc2nc(nc(n2)c3cccc(Cl)c3)C4CC4)cc1;c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4","InChI=1S/C20H17ClN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25)","","2013-12-12","2014-10-10","(4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid","2014-10-15"],["2O6","5-(trifluoromethyl)-1,2-benzoxazol-3-amine","C8 H5 F3 N2 O","FC(F)(F)c2cc1c(onc1N)cc2;Nc1noc2ccc(cc12)C(F)(F)F;c1cc2c(cc1C(F)(F)F)c(no2)N","InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)","","2013-12-13","2014-05-09","5-(trifluoromethyl)-1,2-benzoxazol-3-amine","2014-05-14"],["TLG","(5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one","C12 H14 O3 S","O=C1SC(C=C(/C=C)C)(C(O)=C1C(=O)C)C;CC(=O)C1=C(O)[C](C)(SC1=O)C=C(C)C=C;CC(=CC1(C(=C(C(=O)S1)C(=O)C)O)C)C=C","InChI=1S/C12H14O3S/c1-5-7(2)6-12(4)10(14)9(8(3)13)11(15)16-12/h5-6,14H,1H2,2-4H3/b7-6-/t12-/m1/s1","","2013-09-19","2013-10-04","(5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one","2013-10-09"],["TLH","(5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one","C12 H11 F3 O3 S","FC(F)(F)C(=O)C=1C(=O)SC(/C=C(/C=C)C)(C=1O)C;CC(C=C)=C[C]1(C)SC(=O)C(=C1O)C(=O)C(F)(F)F;CC(=CC1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)C=C","InChI=1S/C12H11F3O3S/c1-4-6(2)5-11(3)8(16)7(10(18)19-11)9(17)12(13,14)15/h4-5,16H,1H2,2-3H3/b6-5+/t11-/m1/s1","","2013-09-19","2014-09-05","(5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-(trifluoroacetyl)thiophen-2(5H)-one","2013-10-09"],["2O7","7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile","C22 H15 Cl2 N3 O","Clc4cc(C=1C(=O)N3C(C=1C#N)(Cc2ccc(C#N)cc2)CCC3)cc(Cl)c4;Clc1cc(Cl)cc(c1)C2=C(C#N)[C]3(CCCN3C2=O)Cc4ccc(cc4)C#N;c1cc(ccc1CC23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N","InChI=1S/C22H15Cl2N3O/c23-17-8-16(9-18(24)10-17)20-19(13-26)22(6-1-7-27(22)21(20)28)11-14-2-4-15(12-25)5-3-14/h2-5,8-10H,1,6-7,11H2/t22-/m0/s1","(7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile","2007-07-16","2020-06-17","(7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile",""],["2O8","4-[(trifluoromethyl)sulfanyl]benzamide","C8 H6 F3 N O S","FC(F)(F)Sc1ccc(cc1)C(=O)N;NC(=O)c1ccc(SC(F)(F)F)cc1;c1cc(ccc1C(=O)N)SC(F)(F)F","InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)","","2013-12-13","2014-05-09","4-[(trifluoromethyl)sulfanyl]benzamide","2014-05-14"],["TLI","triptolide","C20 H24 O6","CC(C)C12OC1C1OC11C3(OC3CC3C=4COC(=O)C=4CCC31C)C2O;CC(C)[C]12O[CH]1[CH]3O[C]34[C]5(C)CCC6=C(COC6=O)[CH]5C[CH]7O[C]47[CH]2O;CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C","InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1","(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one","2021-05-26","2022-08-19","(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one","2022-08-24"],["TLJ","(5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one","C13 H18 O2 S","O=C1SC(/C=C(/C=C)C)(C(O)=C1CCC)C;CCCC1=C(O)[C](C)(SC1=O)C=C(C)C=C;CCCC1=C(C(SC1=O)(C)C=C(C)C=C)O","InChI=1S/C13H18O2S/c1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2/h6,8,14H,2,5,7H2,1,3-4H3/b9-8+/t13-/m1/s1","","2013-09-19","2013-10-04","(5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one","2013-10-09"],["2OA","2'DEOXYADENOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O12 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1/f/h17-18,20,22H,11H2","","2007-10-31","2009-05-19","2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)",""],["TLK","3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde","C17 H14 N2 O2","COc1cc(C=O)ccc1n2ccnc2c3ccccc3;COc1cc(ccc1n2ccnc2c3ccccc3)C=O","InChI=1S/C17H14N2O2/c1-21-16-11-13(12-20)7-8-15(16)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3","","2021-01-11","2024-09-27","3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde","2021-06-16"],["2OB","CHOLESTERYL OLEATE","C45 H78 O2","O=C(OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CC=C2C1)[CH](C)CCCC(C)C;CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C","InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1","(3BETA,9BETA,14BETA,17ALPHA)-CHOLEST-5-EN-3-YL (9Z)-OCTADEC-9-ENOATE","2007-01-09","2021-03-13","(3beta,9beta,14beta,17alpha)-cholest-5-en-3-yl (9Z)-octadec-9-enoate",""],["TLL","N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid","C25 H32 N8 O9","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)N=C(NC=3NC2)N)C)CCC(=O)O;CN1[CH](CNc2ccc(cc2)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)CNC3=C1C(=O)N=C(N)N3;CN1C(CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C25H32N8O9/c1-33-14(11-28-20-19(33)22(38)32-25(26)31-20)10-27-13-4-2-12(3-5-13)21(37)30-16(24(41)42)6-8-17(34)29-15(23(39)40)7-9-18(35)36/h2-5,14-16,27H,6-11H2,1H3,(H,29,34)(H,30,37)(H,35,36)(H,39,40)(H,41,42)(H4,26,28,31,32,38)/t14-,15-,16-/m0/s1","","2014-07-31","2014-09-12","N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid","2014-09-17"],["2OD","5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine","C19 H27 N3 O2","O(c2cc1N=C(N)C3(c1cc2OC)CCC3)CCCN4CCCC4;COc1cc2c(cc1OCCCN3CCCC3)N=C(N)C24CCC4;COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N","InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)","","2013-12-13","2014-01-10","5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine","2014-01-15"],["TLM","THIOLACTOMYCIN","C11 H14 O2 S","O=C1SC(/C=C(/C=C)C)(C(O)=C1C)C;CC(C=C)=C[C]1(C)SC(=O)C(=C1O)C;CC1=C(C(SC1=O)(C)C=C(C)C=C)O","InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1","4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE","2000-08-14","2020-06-17","(5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one",""],["2OE","3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol","C18 H15 N O2","O(c1cccc(O)c1)c2cc(nc(c2)C)c3ccccc3;Cc1cc(Oc2cccc(O)c2)cc(n1)c3ccccc3;Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O","InChI=1S/C18H15NO2/c1-13-10-17(21-16-9-5-8-15(20)11-16)12-18(19-13)14-6-3-2-4-7-14/h2-12,20H,1H3","","2014-04-22","2014-10-10","3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol","2014-10-15"],["TLN","[(1R,3R,4R,7S)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H15 N2 O9 P","O=C1C(=CN(C(=O)N1)C3OC2(C(O)C3OC2)COP(=O)(O)O)C;CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)COP(=O)(O)O)O","InChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t6-,7+,9-,11-/m1/s1","","2001-01-04","2011-06-04","1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione",""],["2OF","FERROUS ION, 2 WATERS COORDINATED","Fe H4 O2","O|[Fe++]|O;[OH2][Fe+2][OH2]","InChI=1/Fe.2H2O/h;2*1H2/q+2;;/rFeH4O2/c2-1-3/h2-3H2/q+2","","2002-07-18","2008-10-14","",""],["2OG","2-OXO-GLUTARIC ACID","C5 H6 O5","O=C(O)C(=O)CCC(=O)O;OC(=O)CCC(=O)C(O)=O;C(CC(=O)O)C(=O)C(=O)O","InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/f/h7,9H","","1999-07-08","2008-10-14","2-oxopentanedioic acid",""],["TLO","5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine","C16 H20 N2 O11 P2","O=P(Oc1ccccc1)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)Oc3ccccc3)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)Oc3ccccc3)O","InChI=1S/C16H20N2O11P2/c1-10-8-18(16(21)17-15(10)20)14-7-12(19)13(27-14)9-26-30(22,23)29-31(24,25)28-11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,22,23)(H,24,25)(H,17,20,21)/t12-,13+,14+/m0/s1","thymidine diphosphate phenol","2010-10-29","2020-06-17","5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine",""],["TLP","3-HYDROXY-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUTYRIC ACID","C12 H19 N2 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C;CC(O)C(NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O","InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)","N-PYRIDOXYL-THREONINE-5-MONOPHOSPHATE","2002-07-17","2021-03-01","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)threonine",""],["2OH","4,4'-PROPANE-2,2-DIYLDIPHENOL","C15 H16 O2","Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C;CC(C)(c1ccc(O)cc1)c2ccc(O)cc2;CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3","4,4'-ISOPROPYLIDENEDIPHENOL; BISPHENOL A","2006-11-20","2020-05-26","4,4'-propane-2,2-diyldiphenol",""],["2OI","2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one","C19 H17 Cl N2 O2","COc1ccc2C(=O)NCCc3c(Cc4ccc(Cl)cc4)[nH]c1c23;COc1ccc2c3c1[nH]c(c3CCNC2=O)Cc4ccc(cc4)Cl","InChI=1S/C19H17ClN2O2/c1-24-16-7-6-14-17-13(8-9-21-19(14)23)15(22-18(16)17)10-11-2-4-12(20)5-3-11/h2-7,22H,8-10H2,1H3,(H,21,23)","","2021-07-09","2022-05-13","2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one","2022-05-18"],["TLQ","4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde","C20 H14 N2 O","O=Cc1ccc(n2ccnc2c3ccccc3)c4ccccc14;c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O","InChI=1S/C20H14N2O/c23-14-16-10-11-19(18-9-5-4-8-17(16)18)22-13-12-21-20(22)15-6-2-1-3-7-15/h1-14H","","2021-01-11","2024-09-27","4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde","2021-06-16"],["TLR","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide","C21 H19 F3 N4 O4","OC1=C(N=C(Cc2ccccc2C(F)(F)F)NC1=O)C(=O)NCCc1ccnc(OC)c1;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)Cc3ccccc3C(F)(F)F)ccn1;COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)Cc3ccccc3C(F)(F)F)O","InChI=1S/C21H19F3N4O4/c1-32-16-10-12(6-8-25-16)7-9-26-19(30)17-18(29)20(31)28-15(27-17)11-13-4-2-3-5-14(13)21(22,23)24/h2-6,8,10,29H,7,9,11H2,1H3,(H,26,30)(H,27,28,31)","","2022-07-27","2022-09-16","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide","2022-09-21"],["2OJ","N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide","C40 H50 Cl N3 O14 S","Clc5sc(c1onc(c1)COc4cccc(OCCCOC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c4NC(=O)C3CCN(C(C)C)CC3)cc5;CC(C)N1CCC(CC1)C(=O)Nc2c(OCCCO[CH]3O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]3OC(C)=O)cccc2OCc4cc(on4)c5sc(Cl)cc5;CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCOC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","InChI=1S/C40H50ClN3O14S/c1-22(2)44-15-13-27(14-16-44)39(49)42-35-29(9-7-10-30(35)53-20-28-19-31(58-43-28)33-11-12-34(41)59-33)50-17-8-18-51-40-38(56-26(6)48)37(55-25(5)47)36(54-24(4)46)32(57-40)21-52-23(3)45/h7,9-12,19,22,27,32,36-38,40H,8,13-18,20-21H2,1-6H3,(H,42,49)/t32-,36-,37+,38-,40-/m1/s1","","2013-12-16","2014-01-10","N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide","2014-01-15"],["TLS","4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid","C33 H30 N4 O2","O=C(O)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(c4nc3CCC)C)c6nc5ccccc5n6C;CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(O)=O)c5nc6ccccc6n5C;CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C","InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)","Telmisartan","2010-11-10","2021-03-01","4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid",""],["2OK","4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine","C21 H21 N O3","O(c1cc(cc(OC)c1)C)c2cc(nc(c2)C)c3ccc(OC)cc3;COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2;Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC","InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3","","2014-04-22","2014-10-10","4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine","2014-10-15"],["TLT","Tolmetin","C15 H15 N O3","O=C(O)Cc2ccc(C(=O)c1ccc(cc1)C)n2C;Cn1c(CC(O)=O)ccc1C(=O)c2ccc(C)cc2;Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O","InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)","","2011-06-03","2012-03-30","[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid",""],["2OL","1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol","C22 H26 N6 O2","OC4(C#Cc1ccc2nc(NCCOC)n(c2c1)c3nc(ncc3)N)CCCCC4;COCCNc1nc2ccc(cc2n1c3ccnc(N)n3)C#CC4(O)CCCCC4;COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O","InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)","","2013-12-17","2014-02-07","1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol","2014-02-12"],["TLV","(2~{S})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid","C15 H11 Cl4 N O4","N[CH](Cc1cc(Cl)c(Oc2cc(Cl)c(O)c(Cl)c2)c(Cl)c1)C(O)=O;c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)CC(C(=O)O)N","InChI=1S/C15H11Cl4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1","","2015-12-09","2016-01-15","(2~{S})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid","2016-01-20"],["2OM","5,6-dihydroorotidine 5'-monophosphate","C10 H15 N2 O11 P","O=C(O)C1N(C(=O)NC(=O)C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2[CH](CC(=O)NC2=O)C(O)=O;C1C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O","InChI=1S/C10H15N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h3-4,6-8,14-15H,1-2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t3-,4-,6-,7-,8-/m1/s1","","2009-02-06","2011-06-04","6-carboxyuridine 5'-(dihydrogen phosphate)",""],["TLW","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C8 H14 O7","OC[CH](O)[CH]1O[CH](C[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1C(=O)O)C(CO)O)O)O","InChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4-,5-,6-,7-/m1/s1","","2021-01-11","2021-04-30","(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2021-05-05"],["2ON","2-sulfanyl-1,9-dihydro-6H-purin-6-one","C5 H4 N4 O S","O=C1c2ncnc2N=C(S)N1;SC1=Nc2[nH]cnc2C(=O)N1;c1[nH]c2c(n1)C(=O)NC(=N2)S","InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)","","2014-04-23","2024-09-27","2-sulfanyl-1,9-dihydro-6H-purin-6-one","2015-04-01"],["2OO","4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol","C17 H19 N7 O","n2c1ccc(C#CC(O)(C)C)cc1n(c2NCC)c3ncnc(n3)N;CCNc1nc2ccc(cc2n1c3ncnc(N)n3)C#CC(C)(C)O;CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O","InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)","","2013-12-17","2014-02-07","4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol","2014-02-12"],["TLX","N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE","C13 H27 N3","N21CCCC1N(CCC2)CC(N)CC(C)C;CC(C)C[CH](N)CN1CCCN2CCC[CH]12;CC(C)CC(CN1CCCN2C1CCC2)N","InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1","","1999-07-08","2024-09-27","(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine",""],["TLY","(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid","C8 H16 N2 O2 S","O=C(O)C(N)CCCCNC(=S)C;CC(=S)NCCCC[CH](N)C(O)=O;CC(=S)NCCCCC(C(=O)O)N","InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1","6-N-thiolacetyl-L-lysine","2010-03-04","2024-09-27","N~6~-ethanethioyl-L-lysine",""],["2OP","(2S)-2-HYDROXYPROPANOIC ACID","C3 H6 O3","O=C(O)C(O)C;C[CH](O)C(O)=O;CC(C(=O)O)O","InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1","","2004-12-29","2024-09-27","(2S)-2-hydroxypropanoic acid",""],["TLZ","D-altritol","C6 H14 O6","OC(C(O)CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)CO;C(C(C(C(C(CO)O)O)O)O)O","InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1","D-talitol","2014-12-15","2020-06-17","D-altritol","2014-12-24"],["2OQ","1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol","C19 H20 N6 O","n3c2ccc(C#CC1(O)CCCCC1)cc2n(c3C)c4ncnc(n4)N;Cc1nc2ccc(cc2n1c3ncnc(N)n3)C#CC4(O)CCCCC4;Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O","InChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24)","","2013-12-17","2014-02-07","1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol","2014-02-12"],["TM0","(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine","C11 H13 N3 O","CC(N)c1nc(Cc2ccccc2)no1;C[CH](N)c1onc(Cc2ccccc2)n1;CC(c1nc(no1)Cc2ccccc2)N","InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1","","2023-08-28","2023-11-24","(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine","2023-11-29"],["2OR","amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium","C6 H15 N4 O4","O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N;N[CH]([CH](O)[CH](O)CNC(N)=[NH2+])C(O)=O;C(C(C(C(C(=O)O)N)O)O)NC(=[NH2+])N","InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1","","2013-08-28","2024-09-27","amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium","2014-06-25"],["TM1","2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)","C16 H15 N8 O13 P","[O-][N+](=O)C5=CC([N+]([O-])=O)C=C([N+]([O-])=O)C15OC4C(O1)C(OC4n2c3ncnc(N)c3nc2)COP(=O)(O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[CH](C=C5[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N","InChI=1S/C16H15N8O13P/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(35-15)3-34-38(31,32)33)36-16(37-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16-/m1/s1","","2011-01-07","2011-06-04","2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)",""],["2OS","3-N-OCTANOYLSUCROSE","C20 H36 O12","O=C(OC1C(O)C(OC(CO)C1O)OC2(OC(C(O)C2O)CO)CO)CCCCCCC;CCCCCCCC(=O)O[CH]1[CH](O)[CH](CO)O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH]1O;CCCCCCCC(=O)OC1C(C(OC(C1O)OC2(C(C(C(O2)CO)O)O)CO)CO)O","InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1","3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE","2004-05-02","2020-07-17","beta-D-fructofuranosyl 3-O-octanoyl-alpha-D-glucopyranoside",""],["TM2","5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)","C12 H20 N3 O12 P S","O=S(=O)(O)CCNCC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(CNCC[S](O)(=O)=O)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O","InChI=1S/C12H20N3O12PS/c16-8-7(5-26-28(20,21)22)27-11(9(8)17)15-4-6(10(18)14-12(15)19)3-13-1-2-29(23,24)25/h4,7-9,11,13,16-17H,1-3,5H2,(H,14,18,19)(H2,20,21,22)(H,23,24,25)/t7-,8-,9-,11-/m1/s1","","2008-03-14","2011-06-04","5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)",""],["2OT","2'-O-[2-(N,N-DIMETHYLAMINOOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE","C14 H24 N3 O10 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCON(C)C)COP(=O)(O)O;CN(C)OCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCON(C)C","InChI=1S/C14H24N3O10P/c1-8-6-17(14(20)15-12(8)19)13-11(24-4-5-25-16(2)3)10(18)9(27-13)7-26-28(21,22)23/h6,9-11,13,18H,4-5,7H2,1-3H3,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1","","2004-12-21","2011-06-04","2'-O-{2-[(dimethylamino)oxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)",""],["TM3","2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol","C32 H42 N6 O3","Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc5nc(C)ccc5O)c3c2)c1;Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO","InChI=1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36)","TMC353121","2009-11-20","2021-03-01","2-[[6-[[[2-(3-hydroxypropyl)-5-methyl-phenyl]amino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol",""],["2OU","(2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid","C15 H25 O22 P5","O=P(O)(O)CC(=O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OCc1ccccc1)C(OP(=O)(O)O)C2OP(=O)(O)O;O[P](O)(=O)CC(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;c1ccc(cc1)COC2C(C(C(C(C2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C15H25O22P5/c16-9(7-38(17,18)19)33-11-14(36-41(26,27)28)12(34-39(20,21)22)10(32-6-8-4-2-1-3-5-8)13(35-40(23,24)25)15(11)37-42(29,30)31/h1-5,10-15H,6-7H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t10-,11+,12+,13-,14+,15-","","2013-12-18","2014-03-28","(2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid","2014-04-02"],["2OV","(1R,2R,3r,4S,5S,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]","C20 H28 O18 P4","O=P(O)(O)OC3C(OCc1ccccc1)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OCc2ccccc2)C3OP(=O)(O)O;O[P](O)(=O)O[CH]1[CH](OCc2ccccc2)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](OCc3ccccc3)[CH]1O[P](O)(O)=O;c1ccc(cc1)COC2C(C(C(C(C2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C20H28O18P4/c21-39(22,23)35-17-15(33-11-13-7-3-1-4-8-13)18(36-40(24,25)26)20(38-42(30,31)32)16(19(17)37-41(27,28)29)34-12-14-9-5-2-6-10-14/h1-10,15-20H,11-12H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t15-,16+,17-,18+,19-,20+","","2013-12-18","2014-03-28","(1R,2R,3r,4S,5S,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]","2014-04-02"],["TM4","3-hydroxy-2-methyl-4H-pyran-4-thione","C6 H6 O2 S","S=C1C(O)=C(OC=C1)C;CC1=C(O)C(=S)C=CO1;CC1=C(C(=S)C=CO1)O","InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3","","2013-09-17","2014-06-27","3-hydroxy-2-methyl-4H-pyran-4-thione","2014-07-02"],["2OW","methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate","C20 H24 F N5 O3","O=C(OC)N3CCN(Cc2c(F)c(NC(=O)Nc1ccc(nc1)C)ccc2)CC3;COC(=O)N1CCN(CC1)Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F;Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC","InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)","omecamtiv mercarbil","2014-04-23","2020-06-17","methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate","2015-07-07"],["TM5","THIO-MALTOPENTAOSE","C30 H52 O23 S3","S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO;OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)S[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](S)O[CH]5CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)SC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)S)CO)CO)CO)CO)O)O)O)O","InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1","","1999-07-08","2020-07-17","alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose",""],["TM6","THIO-MALTOHEXAOSE","C36 H62 O28 S3","S(C3C(OC(OC2C(O)C(O)C(SC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(SC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO;OC[CH]1O[CH](S[CH]2[CH](CO)O[CH](O[CH]3[CH](CO)O[CH](S[CH]4[CH](CO)O[CH](O[CH]5[CH](CO)O[CH](S[CH]6[CH](CO)O[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)SC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)SC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O","InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1","","1999-07-08","2020-07-17","alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranose",""],["2OX","(2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol","C13 H16 N4 O2","n2nn(c1ccccc1)cc2C3NC(C)C(O)C3O;C[CH]1N[CH]([CH](O)[CH]1O)c2cn(nn2)c3ccccc3;CC1C(C(C(N1)c2cn(nn2)c3ccccc3)O)O","InChI=1S/C13H16N4O2/c1-8-12(18)13(19)11(14-8)10-7-17(16-15-10)9-5-3-2-4-6-9/h2-8,11-14,18-19H,1H3/t8-,11-,12+,13-/m0/s1","","2014-04-24","2014-07-10","(2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol","2014-07-08"],["2OY","N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)","C14 H23 Cl N2 O3 S","O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C;Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)[CH](O)CCl;Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(CCl)O","InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1","Tosyllysine Chloromethyl Ketone (Bound Form)","2013-12-19","2024-09-27","N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide","2014-04-23"],["TM7","5-hydroxy-2-methyl-4H-pyran-4-thione","C6 H6 O2 S","S=C1C=C(OC=C1O)C;CC1=CC(=S)C(=CO1)O;CC1=CC(=S)C(=CO1)O","InChI=1S/C6H6O2S/c1-4-2-6(9)5(7)3-8-4/h2-3,7H,1H3","","2013-09-17","2014-06-27","5-hydroxy-2-methyl-4H-pyran-4-thione","2014-07-02"],["2OZ","(2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide","C13 H17 F N2 O4 S","S=C(Nc1ccc(F)cc1)N2C(C(O)C(O)C(O)C2)CO;OC[CH]1[CH](O)[CH](O)[CH](O)CN1C(=S)Nc2ccc(F)cc2;c1cc(ccc1NC(=S)N2CC(C(C(C2CO)O)O)O)F","InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1","","2013-12-20","2014-06-06","(2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide","2014-06-11"],["TM8","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide","C33 H34 N2 O5 S","N(C(OCc1ccccc1)=O)C(Cc2ccccc2)C(=O)NC(CCS(c3ccccc3)(=O)=O)Cc4ccccc4;O=C(N[CH](Cc1ccccc1)C(=O)N[CH](CC[S](=O)(=O)c2ccccc2)Cc3ccccc3)OCc4ccccc4;c1ccc(cc1)CC(CCS(=O)(=O)c2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4","InChI=1S/C33H34N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-20,29,31H,21-25H2,(H,34,36)(H,35,37)/t29-,31+/m1/s1","","2019-11-07","2024-09-27","Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide","2020-11-25"],["2P0","1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline","C7 H13 N O10 P2","O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O;OC(=O)[CH]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O;C1CC(N(C1)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O","InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1","diphosphoglycolylproline","2011-02-24","2021-03-01","1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline",""],["TM9","(2R,3R,4S,5R,6R)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol","C6 H13 N O6","OC1C(O)C(OC(O)C1N)C(O)O;N[CH]1[CH](O)O[CH](C(O)O)[CH](O)[CH]1O;C1(C(C(C(OC1O)C(O)O)O)O)N","InChI=1S/C6H13NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-6,8-12H,7H2/t1-,2+,3-,4-,6-/m1/s1","","2013-04-25","2013-05-24","(2R,3R,4S,5R,6R)-3-amino-6-(dihydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol (non-preferred name)","2013-05-29"],["TMA","TETRAMETHYLAMMONIUM ION","C4 H12 N","C[N+](C)(C)C;C[N+](C)(C)C;C[N+](C)(C)C","InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1","","2000-03-14","2011-06-04","N,N,N-trimethylmethanaminium",""],["2P1","N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","C21 H15 F3 N4 O3 S","FC(F)(F)c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnnc4nc3;FC(F)(F)c1cccc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3cnc4n[nH]cc4c3)cc2;c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F","InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)","","2013-12-20","2014-10-17","N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","2014-10-22"],["TMB","N-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMETHYL-THREONINE","C11 H21 N O3","O=C(O)C(N(C)C)C(O)C(C/C=C/C)C;CC=CC[CH](C)[CH](O)[CH](N(C)C)C(O)=O;CC=CCC(C)C(C(C(=O)O)N(C)C)O","InChI=1/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1/f/h14H","","1999-07-08","2009-01-07","4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(dimethylamino)-L-xylonic acid",""],["2P2","1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one","C25 H38 N2 O4","O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3;CC(C)(C)[CH]1CC[CH](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[CH]3[CH](O)CO;CC(C)(C)C1CCC(N1C(=O)CCCc2ccccc2)C(=O)N3CCCC3C(CO)O","InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1","","2012-03-15","2024-09-27","(1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol",""],["2P3","5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione","C10 H9 N3 O2 S","S=C1NN=C(N1)C2Oc3ccccc3OC2;S=C1NN=C(N1)[CH]2COc3ccccc3O2;c1ccc2c(c1)OCC(O2)C3=NNC(=S)N3","InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m1/s1","","2013-12-23","2024-09-27","5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione","2014-08-20"],["TMC","1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE","C12 H16 N2 O4","O=C1C(=CN(C(=O)N1)C3C2C(CO)(C2)C(O)C3)C;CC1=CN([CH]2C[CH](O)[C]3(CO)C[CH]23)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C3(C2C3)CO)O","InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1","(N)-METHANOCARBA-THYMIDINE","2000-05-24","2021-03-01","1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione",""],["2P4","(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide","C20 H26 N2 O4","O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3;OC[CH](O)[CH]1CCCN1C(=O)[CH]2CCC=C2C(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)C2=CCCC2C(=O)N3CCCC3C(CO)O","InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1","","2012-03-15","2024-09-27","(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide",""],["TMD","(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE","C10 H21 N O3","O=C(O)C(NC)C(O)C(CCCC)C;CCCC[CH](C)[CH](O)[CH](NC)C(O)=O;CCCCC(C)C(C(C(=O)O)NC)O","InChI=1S/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m1/s1","","1999-07-08","2024-09-27","4-butyl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid",""],["2P5","4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide","C34 H35 N7 O3","O=C(c5ccc(Nc2nc(nc1ncnc12)c4cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c4C)cc5)N6CCOCC6;Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1c3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)c6[nH]cnc6n3;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4","InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)","","2013-12-23","2014-03-28","4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide","2014-04-02"],["TME","PROPANE","C3 H8","CCC;CCC;CCC","InChI=1S/C3H8/c1-3-2/h3H2,1-2H3","","2001-01-24","2024-09-27","propane",""],["TMF","5,10-METHYLENE-6-HYDROFOLIC ACID","C20 H21 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)N3CN2C4=C(N=CC2C3)NC(=NC4=O)N)CCC(=O)O;NC1=NC(=O)C2=C(N1)N=C[CH]3CN(CN23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3C=NC4=C(N3C2)C(=O)N=C(N4)N","InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1","","1999-07-08","2011-06-04","N-({4-[(6aS)-3-amino-1-oxo-1,4,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-D-glutamic acid",""],["2P6","(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile","C20 H27 N3 O2","O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3;N=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)CCCc3ccccc3;c1ccc(cc1)CCCC(=O)N2CCCC2C(=O)N3CCCC3C=N","InChI=1S/C20H27N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,15,17-18,21H,4-6,9-14H2/t17-,18-/m0/s1","KYP-2047, bound form","2012-03-15","2025-09-12","(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile",""],["2P7","[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-(3-OXIDANYLAZETIDIN-1-YL)METHANONE","C16 H12 F3 I N2 O2","O=C(c2c(Nc1ccc(I)cc1F)c(F)c(F)cc2)N3CC(O)C3;OC1CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O","InChI=1S/C16H12F3IN2O2/c17-11-3-2-10(16(24)22-6-9(23)7-22)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23H,6-7H2","","2012-03-16","2014-09-05","{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}(3-hydroxyazetidin-1-yl)methanone","2012-12-14"],["TMG","2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE","C10 H7 N3 S","n2c1c(cccc1)nc2c3ncsc3;[nH]1c2ccccc2nc1c3cscn3;c1ccc2c(c1)[nH]c(n2)c3cscn3","InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)","","2005-02-25","2011-06-04","2-(1,3-thiazol-4-yl)-1H-benzimidazole",""],["TMH","(+)-alpha-Pinene","C10 H16","C1(=CCC2CC1C2(C)C)C;CC1=CC[CH]2C[CH]1C2(C)C;CC1=CCC2CC1C2(C)C","InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1","(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE","2002-09-26","2020-06-17","(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",""],["2P8","(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide","C19 H27 N3 O4","O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3;OC[CH](O)[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)NCc3ccccc3;c1ccc(cc1)CNC(=O)N2CCCC2C(=O)N3CCCC3C(CO)O","InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1","","2012-03-15","2024-09-27","(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide",""],["2P9","5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","C29 H18 Cl3 N3 O5 S","O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)CNC(=S)c4ccc(cc4Cl)c5oc(C(=O)O)cc5;OC(=O)c1oc(cc1)c2ccc(c(Cl)c2)C(=S)NCc3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(O)=O;c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O","InChI=1S/C29H18Cl3N3O5S/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(36)37)16-3-1-15(2-4-16)14-33-27(41)19-7-5-17(11-21(19)31)25-9-10-26(40-25)29(38)39/h1-13H,14H2,(H,33,41)(H,36,37)(H,38,39)","","2013-12-24","2014-01-03","5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid","2014-01-08"],["TMI","1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE","C22 H18 N2","n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4;c1ccc(cc1)[CH](n2ccnc2)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)C(c3ccccc3)n4ccnc4","InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1","BIFONAZOLE","2005-10-27","2020-06-17","1-[(S)-biphenyl-4-yl(phenyl)methyl]-1H-imidazole",""],["TMJ","N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE","C15 H15 Cl N2 O2 S","Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNCC3;Clc1ccc(N[S](=O)(=O)c2ccc3CCNCc3c2)cc1;c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl","InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2","7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE","2007-01-26","2021-03-13","N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide",""],["2PA","DIAMIDOPHOSPHATE","H5 N2 O2 P","O=P(O)(N)N;N[P](N)(O)=O;NP(=O)(N)O","InChI=1S/H5N2O2P/c1-5(2,3)4/h(H5,1,2,3,4)","","1999-07-29","2011-06-04","phosphorodiamidic acid",""],["2PB","2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE","C7 H5 O5 P","O=P([O-])Oc1ccccc1C([O-])=O;[O-]C(=O)c1ccccc1O[PH]([O-])=O;c1ccc(c(c1)C(=O)[O-])OP(=O)[O-]","InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2","","2004-03-26","2024-09-27","2-[(dioxidophosphanyl)oxy]benzoate",""],["TMK","(6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide","C21 H21 Cl F4 N6 O5","Cc1cnc(OC)c(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O;CCN1C(=NN(C1=O)c2nc(O[CH](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(C)cnc(OC)c3Cl)CO;CCN1C(=NN(C1=O)c2c(cc(c(n2)OC(C)C(F)(F)F)C(=O)Nc3c(cnc(c3Cl)OC)C)F)CO","InChI=1S/C21H21ClF4N6O5/c1-5-31-13(8-33)30-32(20(31)35)16-12(23)6-11(18(29-16)37-10(3)21(24,25)26)17(34)28-15-9(2)7-27-19(36-4)14(15)22/h6-7,10,33H,5,8H2,1-4H3,(H,27,28,34)/t10-/m0/s1","","2022-07-27","2022-08-12","(6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide","2022-08-17"],["2PC","3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE","C5 H7 N O2","[O-]C(=O)C1=[NH+]CCC1;[O-]C(=O)C1=[NH+]CCC1;C1CC(=[NH+]C1)C(=O)[O-]","InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)","","2000-05-15","2011-06-04","3,4-dihydro-2H-pyrrolium-5-carboxylate",""],["TML","METHYL PART OF N-TRIMETHYLLYSINE","C3 H9","[CH3].[CH3].[CH3];[CH3].[CH3].[CH3]","InChI=1/3CH4/h3*1H4","","1999-07-08","2009-04-06","$l^{3}-carbane",""],["TMM","1,3,5-BENZENETRICARBOXYLIC ACID","C9 H6 O6","O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O;OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O;c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O","InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)","","1999-07-08","2024-09-27","benzene-1,3,5-tricarboxylic acid",""],["2PD","5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one","C23 H24 N4 O5 S","O=C4N(N=C(c1ccccc1)C(O)=C4C3=Nc2c(cc(OC)cc2)S(=O)(=O)N3)CCC(C)C;COc1ccc2N=C(N[S](=O)(=O)c2c1)C3=C(O)C(=NN(CCC(C)C)C3=O)c4ccccc4;CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC","InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)","5-hydroxy-4-(7-methoxy-1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one","2008-01-11","2020-06-17","5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one",""],["2PE","NONAETHYLENE GLYCOL","C18 H38 O10","O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2","","1999-07-09","2011-06-04","3,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diol",""],["TMN","TRIS(HYDROXYMETHYL)AMINOMETHANE","C4 H11 N O3","OCC(N)(CO)CO;NC(CO)(CO)CO;C(C(CO)(CO)N)O","InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2","","2001-07-20","2008-10-14","2-amino-2-(hydroxymethyl)propane-1,3-diol",""],["TMO","trimethylamine oxide","C3 H9 N O","[O-][N+](C)(C)C;C[N+](C)(C)[O-];C[N+](C)(C)[O-]","InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3","","2008-10-16","2011-06-04","trimethylamine oxide",""],["2PF","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate","C36 H38 F5 N9 O16 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8c(F)c(F)c(F)c(F)c8F;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8c(c(c(c(c8F)F)F)F)F)O","InChI=1S/C36H38F5N9O16P2/c1-11-3-14-15(4-12(11)2)50-19(53)5-13(20-21(37)23(39)25(41)24(40)22(20)38)36(50)33(46-35(58)47-34(36)57)48(14)6-16(51)27(54)17(52)7-63-67(59,60)66-68(61,62)64-8-18-28(55)29(56)32(65-18)49-10-45-26-30(42)43-9-44-31(26)49/h3-4,9-10,13,16-19,27-29,32,51-56H,5-8H2,1-2H3,(H,59,60)(H,61,62)(H2,42,43,44)(H,47,57,58)/t13-,16+,17-,18-,19-,27+,28-,29-,32-,36+/m1/s1","","2010-01-10","2012-01-05","",""],["TMP","THYMIDINE-5'-PHOSPHATE","C10 H15 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","5'-thymidylic acid",""],["2PG","2-PHOSPHOGLYCERIC ACID","C3 H7 O7 P","O=P(O)(O)OC(C(=O)O)CO;OC[CH](O[P](O)(O)=O)C(O)=O;C(C(C(=O)O)OP(=O)(O)O)O","InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1","","1999-07-08","2011-06-04","(2R)-3-hydroxy-2-(phosphonooxy)propanoic acid",""],["TMQ","TRIMETREXATE","C19 H24 N5 O3","O(c1cc(cc(OC)c1OC)NCc2c(c3c(cc2)[nH+]c(nc3N)N)C)C;COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC;Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)/p+1","","1999-07-08","2011-06-04","2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium",""],["2PH","[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE","C7 H11 N5 O8 P2","O=P(O)(O)OP(=O)(O)OCC1=NC=2C(=O)NC(=NC=2NC1)N;NC1=NC2=C(N=C(CN2)CO[P](O)(=O)O[P](O)(O)=O)C(=O)N1;C1C(=NC2=C(N1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)","","1999-07-08","2011-06-04","(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate",""],["2PI","2-AMINO-PENTANOIC ACID","C5 H11 N O2","O=C(O)C(N)CCC;CCC[CH](N)C(O)=O;CCCC(C(=O)O)N","InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/f/h7H","","1999-08-09","2009-01-07","L-norvaline",""],["TMR","2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose","C7 H14 O3 S","S(C1C(OC(O)CC1O)C)C;CS[CH]1[CH](C)O[CH](O)C[CH]1O;CC1C(C(CC(O1)O)O)SC","InChI=1S/C7H14O3S/c1-4-7(11-2)5(8)3-6(9)10-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1","2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE; 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexose;\n2,6-dideoxy-4-S-methyl-4-thio-D-ribo-hexose; 2,6-dideoxy-4-S-methyl-4-thio-ribo-hexose","1999-07-08","2020-07-17","2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose",""],["2PJ","tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate","C23 H24 F2 N2 O2","Fc1cc(c(F)cc1)C(CNC(=O)OC(C)(C)C)Cc2cc3ccccc3nc2;CC(C)(C)OC(=O)NC[CH](Cc1cnc2ccccc2c1)c3cc(F)ccc3F;CC(C)(C)OC(=O)NCC(Cc1cc2ccccc2nc1)c3cc(ccc3F)F","InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1","","2014-04-25","2015-06-12","tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate","2015-06-17"],["TMS","N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE","C21 H25 N O5","O=C(NCCCO)c1ccc(cc1)C=Cc2cc(OC)c(OC)c(OC)c2;COc1cc(C=Cc2ccc(cc2)C(=O)NCCCO)cc(OC)c1OC;COc1cc(cc(c1OC)OC)C=Cc2ccc(cc2)C(=O)NCCCO","InChI=1S/C21H25NO5/c1-25-18-13-16(14-19(26-2)20(18)27-3)6-5-15-7-9-17(10-8-15)21(24)22-11-4-12-23/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,22,24)/b6-5+","","2004-08-17","2011-06-04","N-(3-hydroxypropyl)-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide",""],["2PK","(5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one","C10 H8 N2 O2 S","Oc1ccc(cc1)C=C2SC(=N)NC2=O;c1cc(ccc1C=C2C(=O)NC(=N)S2)O","InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5+","","2013-12-24","2020-02-12","(5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one","2014-01-08"],["TMT","2,3,4-TRIMETHYL-1,3-THIAZOLE","C6 H10 N S","s1cc([n+](c1C)C)C;Cc1scc(C)[n+]1C;Cc1csc([n+]1C)C","InChI=1S/C6H10NS/c1-5-4-8-6(2)7(5)3/h4H,1-3H3/q+1","","1999-07-08","2011-06-04","2,3,4-trimethyl-1,3-thiazol-3-ium",""],["2PL","PHOSPHOGLYCOLIC ACID","C2 H5 O6 P","O=P(O)(O)OCC(=O)O;OC(=O)CO[P](O)(O)=O;C(C(=O)O)OP(=O)(O)O","InChI=1/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)/f/h3,5-6H","","1999-07-08","2008-10-14","(phosphonooxy)acetic acid",""],["TMU","N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA","C12 H12 N4 O4 S","O=C(Nc1ncc(s1)[N+]([O-])=O)NCc2ccc(OC)cc2;COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1;COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]","InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)","","2003-08-12","2011-06-04","1-(4-methoxybenzyl)-3-(5-nitro-1,3-thiazol-2-yl)urea",""],["TMV","THIAMINE-PHOSPHOVANADATE","C12 H21 N4 O8 P S V","O=P(O[V](O)(O)(O)O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N;Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[V](O)(O)(O)O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O","InChI=1S/C12H17N4O4PS.4H2O.V/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);4*1H2;/q;;;;;+5/p-4","","2013-06-05","2014-09-05","For multi-component charged structures, a total zero charge is required!","2013-07-17"],["2PM","N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE","C17 H21 N O","O(CCN(C)C)C(c1ccccc1)c2ccccc2;CN(C)CCOC(c1ccccc1)c2ccccc2;CN(C)CCOC(c1ccccc1)c2ccccc2","InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3","DIPHENHYDRAMINE; ANTISTOMINUM; BENZHYDRAMINE","2005-08-30","2020-05-26","2-(diphenylmethoxy)-N,N-dimethylethanamine",""],["TMX","2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose","C9 H20 N O5","OC1OC(C(O)C(O)C1[N+](C)(C)C)CO;C[N+](C)(C)[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C[N+](C)(C)C1C(C(C(OC1O)CO)O)O","InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1","2-deoxy-2-(trimethylammonio)-beta-D-glucose; 2-deoxy-2-(trimethylammonio)-D-glucose;\n2-deoxy-2-(trimethylammonio)-glucose","2010-09-02","2020-07-17","2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose",""],["2PN","IMIDODIPHOSPHORIC ACID","H5 N O6 P2","O=P(O)(O)NP(=O)(O)O;O[P](O)(=O)N[P](O)(O)=O;N(P(=O)(O)O)P(=O)(O)O","InChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)","","2006-06-15","2011-06-04","imidodiphosphoric acid",""],["TMY","ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate","C21 H32 O6","O=C(OCC)Cc1c(OC)c(OC)c(OC)cc1C(=O)CCCCCCC;CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC;CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC","InChI=1S/C21H32O6/c1-6-8-9-10-11-12-17(22)15-13-18(24-3)21(26-5)20(25-4)16(15)14-19(23)27-7-2/h13H,6-12,14H2,1-5H3","","2011-12-28","2012-09-21","ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate","2012-09-21"],["2PO","PHOSPHONATE","H O3 P","[O-]P([O-])=O;[O-][PH]([O-])=O;[O-]P(=O)[O-]","InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2","","2003-05-08","2011-06-04","phosphonate",""],["2PP","2-PROPYL-PENTANOIC ACID","C8 H16 O2","O=C(O)C(CCC)CCC;CCCC(CCC)C(O)=O;CCCC(CCC)C(=O)O","InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","","1999-07-08","2024-09-27","2-propylpentanoic acid",""],["TMZ","3,4,5-TRIMETHYL-1,3-THIAZOLE","C6 H10 N S","s1c(c([n+](c1)C)C)C;Cc1sc[n+](C)c1C;Cc1c(sc[n+]1C)C","InChI=1S/C6H10NS/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1","","1999-07-08","2011-06-04","3,4,5-trimethyl-1,3-thiazol-3-ium",""],["TN0","(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one","C17 H14 N2 O3 S","COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3;COc1ccc(cc1O)C=C2C(=O)NC(=Nc3ccccc3)S2","InChI=1S/C17H14N2O3S/c1-22-14-8-7-11(9-13(14)20)10-15-16(21)19-17(23-15)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)/b15-10-","","2023-01-12","2024-04-19","(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one","2024-04-24"],["2PQ","2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid","C38 H41 N O5","O=C(O)C(Oc1cccc2c1CCCN2CCCOc5ccc(C(=O)c4ccc(c3ccccc3)cc4)cc5CCC)(C)C;CCCc1cc(ccc1OCCCN2CCCc3c(OC(C)(C)C(O)=O)cccc23)C(=O)c4ccc(cc4)c5ccccc5;CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5","InChI=1S/C38H41NO5/c1-4-11-30-26-31(36(40)29-19-17-28(18-20-29)27-12-6-5-7-13-27)21-22-34(30)43-25-10-24-39-23-9-14-32-33(39)15-8-16-35(32)44-38(2,3)37(41)42/h5-8,12-13,15-22,26H,4,9-11,14,23-25H2,1-3H3,(H,41,42)","","2009-02-23","2011-06-04","2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid",""],["2PR","2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O;Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1","2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE","2000-07-14","2020-06-17","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine",""],["TN1","5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL","C10 H12 O","Oc1cccc2c1CCCC2;Oc1cccc2CCCCc12;c1cc2c(c(c1)O)CCCC2","InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2","","2005-03-04","2011-06-04","5,6,7,8-tetrahydronaphthalen-1-ol",""],["2PS","phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate","C17 H21 N O3 S","O=S(=O)(Oc1ccccc1)CCC(N)CCc2ccccc2;N[CH](CCc1ccccc1)CC[S](=O)(=O)Oc2ccccc2;c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccccc2)N","InChI=1S/C17H21NO3S/c18-16(12-11-15-7-3-1-4-8-15)13-14-22(19,20)21-17-9-5-2-6-10-17/h1-10,16H,11-14,18H2/t16-/m0/s1","","2011-03-23","2012-01-13","phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate",""],["TN2","5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL","C12 H7 Cl2 N O4","Clc2cc(ccc2Oc1ccc(Cl)cc1O)[N+]([O-])=O;Oc1cc(Cl)ccc1Oc2ccc(cc2Cl)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl","InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H","","2005-06-09","2011-06-04","5-chloro-2-(2-chloro-4-nitrophenoxy)phenol",""],["TN3","3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE","C14 H11 Cl2 N O3","Clc2cc(ccc2Oc1ccc(Cl)cc1O)C(=O)NC;CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1;CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl","InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19)","","2005-06-15","2011-06-04","3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-methylbenzamide",""],["2PT","1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE","C20 H29 N6 Pt S","[Pt++]|1(|NCCN|1)|S=C(NC)N(C)CCNc2c3ccccc3[nH+]c4ccccc24;CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4","InChI=1S/C18H20N4S.C2H8N2.Pt/c1-19-18(23)22(2)12-11-20-17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)17;3-1-2-4;/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,21);1-4H2;/q;;+2/p+1","","2004-10-26","2016-04-13","",""],["2PU","1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA","C19 H22 N6 O2","O=C2c1cccc(c1C3N2CCC3)NC(=O)Nc4nnc(c4)C5NCCC5;O=C(Nc1cc([nH]n1)[CH]2CCCN2)Nc3cccc4C(=O)N5CCC[CH]5c34;c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)C4CCCN4)C5CCCN5C2=O","InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15-/m0/s1","N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(5-(PYRROLIDIN-2-YL)PYRAZOL-3-YL)UREA","2001-02-09","2021-03-13","1-[(9bS)-5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl]-3-{5-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-3-yl}urea",""],["TN4","(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl\n(chloroacetyl)carbamate","C19 H30 Cl N O6","ClCC(=O)NC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C;CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)NC(=O)CCl;CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)NC(=O)CCl)OC)C","InChI=1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1","TNP-470 (Open form)","2003-04-24","2024-09-27","(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate",""],["TN5","2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL","C12 H9 Cl2 N O2","Clc2cc(ccc2Oc1ccc(Cl)cc1O)N;Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1;c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl","InChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2","","2005-06-15","2011-06-04","2-(4-amino-2-chlorophenoxy)-5-chlorophenol",""],["2PV","(5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one","C10 H9 N3 O S","Nc1ccc(cc1)C=C2SC(=N)NC2=O;c1cc(ccc1C=C2C(=O)NC(=N)S2)N","InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5+","","2013-12-24","2020-02-12","(5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one","2014-01-08"],["2PW","(5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C14 H15 N O2 S2","CC[CH](C)N1C(=S)SC(=Cc2ccc(O)cc2)C1=O;CCC(C)N1C(=O)C(=Cc2ccc(cc2)O)SC1=S","InChI=1S/C14H15NO2S2/c1-3-9(2)15-13(17)12(19-14(15)18)8-10-4-6-11(16)7-5-10/h4-9,16H,3H2,1-2H3/b12-8+/t9-/m1/s1","","2013-12-24","2020-02-12","(5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2014-01-08"],["TN6","diethylphosphoramidic acid","C4 H12 N O3 P","O=P(O)(O)N(CC)CC;CCN(CC)[P](O)(O)=O;CCN(CC)P(=O)(O)O","InChI=1S/C4H12NO3P/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)","","2009-05-11","2024-09-27","diethylphosphoramidic acid",""],["2PX","N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide","C26 H31 N5 O","O=C(NC3CCN(Cc1cnc2ccc(cc12)C)CC3)C(N)Cc5c4ccccc4nc5;Cc1ccc2[nH]cc(CN3CCC(CC3)NC(=O)[CH](N)Cc4c[nH]c5ccccc45)c2c1;Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)C(Cc4c[nH]c5c4cccc5)N","InChI=1S/C26H31N5O/c1-17-6-7-25-22(12-17)19(15-29-25)16-31-10-8-20(9-11-31)30-26(32)23(27)13-18-14-28-24-5-3-2-4-21(18)24/h2-7,12,14-15,20,23,28-29H,8-11,13,16,27H2,1H3,(H,30,32)/t23-/m0/s1","","2013-12-25","2014-03-07","N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide","2014-03-12"],["TN7","ethyl hydrogen ethylamidophosphate","C4 H12 N O3 P","O=P(O)(OCC)NCC;CCN[P](O)(=O)OCC;CCNP(=O)(O)OCC","InChI=1S/C4H12NO3P/c1-3-5-9(6,7)8-4-2/h3-4H2,1-2H3,(H2,5,6,7)","","2009-05-12","2024-09-27","ethyl hydrogen ethylamidophosphate",""],["TN8","~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid","C15 H16 I N3 O2 S Se","N[S](=O)(=O)c1ccc(CCNC([SeH])=Nc2ccc(I)cc2)cc1;c1cc(ccc1CCNC(=Nc2ccc(cc2)I)[SeH])S(=O)(=O)N","InChI=1S/C15H16IN3O2SSe/c16-12-3-5-13(6-4-12)19-15(23)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23)","","2021-01-12","2022-02-25","~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid","2022-03-02"],["2PY","(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE","C23 H21 N5 O","N1=CC(=C2C=CC=CC12)CC(N)COc5cc(c3cc4c(cc3)nnc4)cnc5;N[CH](COc1cncc(c1)c2ccc3[nH]ncc3c2)CC4=C5C=CC=C[CH]5N=C4;c1cc2c(cc1c3cc(cnc3)OCC(CC4=C5C=CC=CC5N=C4)N)cn[nH]2","InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23?/m0/s1","","2007-01-17","2011-06-04","(2S)-1-{[5-(1H-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7aS)-7aH-indol-3-yl]propan-2-amine",""],["2PZ","N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide","C16 H22 N4 O","O=C(NC3CCN(Cc1cnc2ccccc12)CC3)CN;NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN","InChI=1S/C16H22N4O/c17-9-16(21)19-13-5-7-20(8-6-13)11-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-9,11,17H2,(H,19,21)","","2013-12-25","2014-03-07","N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide","2014-03-12"],["TN9","N-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1H-1,2,3-triazol-4-yl)-N-(2H-1,2,3-triazol-4-ylmethyl)methanamine","C21 H36 N10 O3","CCCCCCOCCOCCOCCn1cc(CN(Cc2cn[nH]n2)Cc3c[nH]nn3)nn1;CCCCCCOCCOCCOCCn1cc(nn1)CN(Cc2c[nH]nn2)Cc3cn[nH]n3","InChI=1S/C21H36N10O3/c1-2-3-4-5-7-32-9-11-34-12-10-33-8-6-31-18-21(26-29-31)17-30(15-19-13-22-27-24-19)16-20-14-23-28-25-20/h13-14,18H,2-12,15-17H2,1H3,(H,22,24,27)(H,23,25,28)","","2023-04-27","2024-04-12","~{N}-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1~{H}-1,2,3-triazol-4-yl)-~{N}-(2~{H}-1,2,3-triazol-4-ylmethyl)methanamine","2024-04-17"],["2Q0","(5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one","C14 H15 N O2 S2","CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O;CC(C)CN1C(=O)C(=Cc2ccc(cc2)O)SC1=S","InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-","","2013-12-29","2020-02-12","(5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one","2014-01-15"],["TNA","N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid","C13 H23 N3 O8","O=C(O)C(NCCC(NCCC(N)C(=O)O)C(=O)O)CCC(=O)O;N[CH](CCN[CH](CCN[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NCCC(C(=O)O)NCCC(C(=O)O)N","InChI=1S/C13H23N3O8/c14-7(11(19)20)3-5-15-9(13(23)24)4-6-16-8(12(21)22)1-2-10(17)18/h7-9,15-16H,1-6,14H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-,9-/m0/s1","thermonicotianamine","2009-01-07","2020-06-17","N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid",""],["TNB","S-(2,3,6-TRINITROPHENYL)CYSTEINE","C9 H8 N4 O8 S","[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O;N[CH](CSc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(O)=O;c1c(cc(c(c1[N+](=O)[O-])SCC(C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1","","1999-07-08","2011-06-04","S-(2,4,6-trinitrophenyl)-L-cysteine",""],["2Q2","L-galactonic acid","C6 H12 O7","O=C(O)C(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)O","InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m0/s1","","2014-01-02","2014-01-17","L-galactonic acid","2014-01-22"],["2Q4","N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide","C23 H35 Cl N2 O4","O=C(N2CCC(O)(c1ccc(Cl)cc1)C(C)(C2)C)C(NC(=O)CC(O)(C)C)C(C)C;CC(C)[CH](NC(=O)CC(C)(C)O)C(=O)N1CC[C](O)(c2ccc(Cl)cc2)C(C)(C)C1;CC(C)C(C(=O)N1CCC(C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O","InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1","","2014-01-03","2014-08-22","N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide","2014-08-27"],["TNC","4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE","C21 H20 N2 O6","O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O;CN(C)[CH]1[CH]2Cc3cc4cccc(O)c4c(O)c3C(=C2C(=C(C(N)=O)C1=O)O)O;CN(C)C1C2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O","InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1","DEHYDRATED SANCYCLINE","2003-01-03","2021-03-01","(4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide",""],["2Q5","(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol","C12 H26 O5","OC(COC(COC(COC(C)CO)C)C)C;C[CH](O)CO[CH](C)CO[CH](C)CO[CH](C)CO;CC(CO)OCC(C)OCC(C)OCC(C)O","InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-/m1/s1","","2014-01-05","2014-09-12","(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol","2014-09-17"],["TND","N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE","C29 H32 N6 O6","O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c(ncnc23)NC5c4ccccc4CCC5)CO;COc1cc(OC)cc(c1)C(=O)N[CH]2[CH](O)[CH](CO)O[CH]2n3cnc4c(N[CH]5CCCc6ccccc56)ncnc34;COc1cc(cc(c1)OC)C(=O)NC2C(C(OC2n3cnc4c3ncnc4NC5CCCc6c5cccc6)CO)O","InChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22-,23-,25-,29-/m1/s1","","2001-02-21","2011-06-04","2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]adenosine",""],["2Q6","methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate","C44 H55 N5 O5","O=C(OC)NCC(c4ccc(OCCCCCc1ccc(cc1)NC(=O)C(N2C(=O)C(N)CCC2)C3CCCCC3)cc4)Cc5cc6ccccc6nc5;COC(=O)NC[CH](Cc1cnc2ccccc2c1)c3ccc(OCCCCCc4ccc(NC(=O)[CH](C5CCCCC5)N6CCC[CH](N)C6=O)cc4)cc3;COC(=O)NCC(Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)C(C5CCCCC5)N6CCCC(C6=O)N","InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1","","2014-04-29","2015-06-12","methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate","2015-06-17"],["TNE","8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE","C8 H13 N O","O=C1CC2N(C)C(C1)CC2;CN1[CH]2CC[CH]1CC(=O)C2;CN1C2CCC1CC(=O)C2","InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+","TROPINONE","2001-05-16","2020-06-17","(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one",""],["TNF","PICRIC ACID","C6 H3 N3 O7","O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O;Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O;c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H","2,4,6-TRINITROPHENOL","2002-02-27","2021-03-13","2,4,6-trinitrophenol",""],["2Q7","N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide","C27 H35 F2 N11 O4","C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1;Nc1ncc(c2nc(nc(n2)N3CCN(CC3)C(=O)CNC(=O)C4CCN(CC4)C(=O)C=C)N5CCOCC5)c(n1)C(F)F;C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N","InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)","","2021-06-30","2024-09-27","N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide","2022-04-06"],["2Q8","4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide","C21 H25 N3 O2","O=C(N)c4ccc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc4;CN1CCc2c(C1)n(c3CC(C)(C)CC(=O)c23)c4ccc(cc4)C(N)=O;CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C","InChI=1S/C21H25N3O2/c1-21(2)10-16-19(18(25)11-21)15-8-9-23(3)12-17(15)24(16)14-6-4-13(5-7-14)20(22)26/h4-7H,8-12H2,1-3H3,(H2,22,26)","","2014-01-07","2014-12-19","4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide","2014-12-24"],["TNG","propane-1,2,3-triyl trinitrate","C3 H5 N3 O9","O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-];[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O;C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]","InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2","nitroglycerin","2012-07-11","2020-06-17","propane-1,2,3-triyl trinitrate","2012-09-21"],["2Q9","2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one","C26 H34 N4 O2","O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc(NC(C)C)c45;CC(C)Nc1cc(cc2CCNC(=O)c12)n3c4CN(C)CCc4c5C(=O)CC(C)(C)Cc35;CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C","InChI=1S/C26H34N4O2/c1-15(2)28-19-11-17(10-16-6-8-27-25(32)23(16)19)30-20-12-26(3,4)13-22(31)24(20)18-7-9-29(5)14-21(18)30/h10-11,15,28H,6-9,12-14H2,1-5H3,(H,27,32)","","2014-01-07","2014-04-04","2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one","2014-04-09"],["TNH","N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide","C25 H30 N4 O","O=C(NCCCCCCNc1c3ccccc3nc2c1CCCC2)c4cccnc4;O=C(NCCCCCCNc1c2CCCCc2nc3ccccc13)c4cccnc4;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4","InChI=1S/C25H30N4O/c30-25(19-10-9-15-26-18-19)28-17-8-2-1-7-16-27-24-20-11-3-5-13-22(20)29-23-14-6-4-12-21(23)24/h3,5,9-11,13,15,18H,1-2,4,6-8,12,14,16-17H2,(H,27,29)(H,28,30)","2-{2-[(1,2,3,4-tetrahydroacridin- 9-yl)amino]hexyl}N-nicotinamide","2014-11-28","2020-06-17","N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide","2015-12-23"],["TNI","5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde","C13 H8 Br2 Cl N O2","O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(Br)c1;Clc1ccc(COc2cc(Br)cnc2C=O)cc1Br;c1cc(c(cc1COc2cc(cnc2C=O)Br)Br)Cl","InChI=1S/C13H8Br2ClNO2/c14-9-4-13(12(6-18)17-5-9)19-7-8-1-2-11(16)10(15)3-8/h1-6H,7H2","","2022-07-27","2024-09-27","5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde","2023-06-28"],["2QA","8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one","C25 H30 N2 O2","O=C2NCCc1cc(cc(c12)C3CCCC3)n5c4c(C(=O)CC(C4)(C)C)c(c5)C;Cc1cn(c2CC(C)(C)CC(=O)c12)c3cc4CCNC(=O)c4c(c3)C5CCCC5;Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4","InChI=1S/C25H30N2O2/c1-15-14-27(20-12-25(2,3)13-21(28)22(15)20)18-10-17-8-9-26-24(29)23(17)19(11-18)16-6-4-5-7-16/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,26,29)","","2014-01-07","2014-04-04","8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one","2014-04-09"],["TNJ","7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one","C19 H22 F2 N4 O","c3(C)c2N(C1CC1)C(=O)C(=C(c2cc(c3N5CC4CC4(C5)N)F)CN)F;Cc1c(N2C[CH]3C[C]3(N)C2)c(F)cc4C(=C(F)C(=O)N(C5CC5)c14)CN;Cc1c2c(cc(c1N3CC4CC4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN","InChI=1S/C19H22F2N4O/c1-9-16-12(13(6-22)15(21)18(26)25(16)11-2-3-11)4-14(20)17(9)24-7-10-5-19(10,23)8-24/h4,10-11H,2-3,5-8,22-23H2,1H3/t10-,19-/m1/s1","","2020-03-25","2020-07-10","7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one","2020-07-15"],["2QB","5-(azidomethyl)-2-methylpyrimidin-4-amine","C6 H8 N6","[N-]=[N+]=N/Cc1cnc(nc1N)C;Cc1ncc(CN=[N+]=[N-])c(N)n1;Cc1ncc(c(n1)N)CN=[N+]=[N-]","InChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11)","","2014-01-08","2014-05-30","5-(azidomethyl)-2-methylpyrimidin-4-amine","2014-06-04"],["2QC","1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine","C9 H9 N3 S","n1nscc1c2ccc(cc2)CN;NCc1ccc(cc1)c2csnn2;c1cc(ccc1CN)c2csnn2","InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2","","2014-01-08","2014-05-30","1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine","2014-06-04"],["TNK","6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL","C22 H24 N2 O3","O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C;CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O;CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3","InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)","","1999-07-08","2011-06-04","6-benzyl-1-[(benzyloxy)methyl]-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione",""],["TNL","2,4,6-TRINITROTOLUENE","C7 H5 N3 O6","O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O;Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O;Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3","TNT","2002-02-27","2021-03-01","2-methyl-1,3,5-trinitrobenzene",""],["2QD","(4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid","C9 H16 N2 O5","O=C(O)C(N)CC(C(=O)O)CCC(=O)NC;CNC(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O;CNC(=O)CCC(CC(C(=O)O)N)C(=O)O","InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1","","2014-01-08","2014-08-01","(4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid","2014-08-06"],["2QE","(2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid","C9 H15 N O6","O=C(OC)CCC(C(=O)O)CC(C(=O)O)N;COC(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O;COC(=O)CCC(CC(C(=O)O)N)C(=O)O","InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1","(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid","2014-01-18","2020-06-17","(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid","2014-08-06"],["TNM","[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid","C9 H15 N5 O7 P2","C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)O","InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1","Tenofovir-monophosphate; PMPA-monophosphate","2008-12-18","2021-03-13","[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid",""],["2QF","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide","C22 H16 F2 N2 O3 S","Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4cc3cccn3cc4;Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4cccc4c3)cc2;c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F","InChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-21(12-17)30(28,29)20-5-3-15(4-6-20)14-25-22(27)16-7-9-26-8-1-2-19(26)10-16/h1-13H,14H2,(H,25,27)","","2014-01-13","2014-06-13","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide","2014-06-18"],["TNN","(1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione","C27 H19 N O8","CC(O)C15OC16c4cc(O)c3C(=O)c2ccc(OC)c(O)c2C(=O)c3c4NC5C#CC=CC#CC6O;COc1ccc2C(=O)c3c(O)cc4c(N[CH]5C#CC=CC#C[CH](O)[C]46O[C]56[CH](C)O)c3C(=O)c2c1O;CC(C12C3C#CC=CC#CC(C1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O","InChI=1S/C27H19NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-4,9-12,17-18,28-31,33H,1-2H3/b4-3-/t12-,17+,18-,26+,27+/m1/s1","tiancimycin","2017-02-09","2021-03-01","(1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione","2018-07-04"],["2QG","2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine","C19 H22 Cl N5 O","Clc2ccc(OCCCCCC/N=C(NC#N)Nc1ccncc1)cc2;Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1;c1cc(ccc1OCCCCCCN=C(NC#N)Nc2ccncc2)Cl","InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)","","2014-01-08","2014-06-13","2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine","2014-06-18"],["TNO","(5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione","C11 H9 N O4 S","COc1cc(ccc1O)C=C2SC(=O)NC2=O;COc1cc(ccc1O)C=C2C(=O)NC(=O)S2","InChI=1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-","","2023-01-12","2024-04-19","(5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione","2024-04-24"],["TNP","3,5,6,8-TETRAMETHYL-N-METHYL PHENANTHROLINIUM","C17 H19 N2","n2cc(cc3c(c(c1cc(c[n+](c1c23)C)C)C)C)C;Cc1cnc2c(c1)c(C)c(C)c3cc(C)c[n+](C)c23;Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C","InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1","","1999-07-08","2012-01-25","1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium",""],["2QH","(8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine","C25 H22 F3 N5 O","Fc2ccc(cc2c1cccnc1)C4(N=C(N)N3C4=NCC(F)(F)C3)c5ccc(OC)c(c5)C;COc1ccc(cc1C)[C]2(N=C(N)N3CC(F)(F)CN=C23)c4ccc(F)c(c4)c5cccnc5;Cc1cc(ccc1OC)C2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F","InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32)/t25-/m1/s1","","2014-01-08","2014-08-08","(8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine","2014-08-13"],["TNQ","6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan","C13 H15 N3 O5","NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O;N[CH](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O;c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NCC(=O)O","InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1","","2018-08-16","2024-09-27","6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan","2019-01-16"],["2QI","calcitroic acid","C23 H34 O4","C[CH](CC(O)=O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CC(=O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1","(3~{R})-3-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]butanoic acid","2021-06-23","2022-07-08","(3~{R})-3-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]butanoic acid","2022-07-13"],["TNR","O-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-SERINE","C11 H20 N2 O8","O=C(O)C(N)COC1OC(C(O)C(O)C1NC(=O)C)CO;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](N)C(O)=O;CC(=O)NC1C(C(C(OC1OCC(C(=O)O)N)CO)O)O","InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8-,9+,11-/m0/s1","","2002-11-15","2020-07-03","(2S)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminopropanoic acid (non-preferred name)",""],["2QJ","(2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide","C16 H12 Br Cl F3 N O4 S","O=S(=O)(c1cc(Br)ccc1)c2ccc(NC(=O)C(O)(C)C(F)(F)F)c(Cl)c2;C[C](O)(C(=O)Nc1ccc(cc1Cl)[S](=O)(=O)c2cccc(Br)c2)C(F)(F)F;CC(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O","InChI=1S/C16H12BrClF3NO4S/c1-15(24,16(19,20)21)14(23)22-13-6-5-11(8-12(13)18)27(25,26)10-4-2-3-9(17)7-10/h2-8,24H,1H3,(H,22,23)/t15-/m1/s1","","2014-01-08","2014-08-08","(2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide","2014-08-13"],["TNS","N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID","C20 H22 N2 O4","[O-][N+](=O)c1ccc(cc1)C=Cc2ccc(N(C)CCCCC(=O)O)cc2;CN(CCCCC(O)=O)c1ccc(C=Cc2ccc(cc2)[N+]([O-])=O)cc1;CN(CCCCC(=O)O)c1ccc(cc1)C=Cc2ccc(cc2)[N+](=O)[O-]","InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+","5-[{4-[(E)-2-(4-NITROPHENYL)VINYL]PHENYL}(METHYL)AMINO]PENTANOIC ACID","2006-02-20","2020-06-17","5-(methyl{4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl}amino)pentanoic acid",""],["2QK","N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide","C29 H31 Cl N4 O2","Clc1ccccc1C(NC(=O)c2cc3c(cc2)nnc3c5ccc(OC4CCN(C)CC4)cc5)CC;CC[CH](NC(=O)c1ccc2[nH]nc(c3ccc(OC4CCN(C)CC4)cc3)c2c1)c5ccccc5Cl;CCC(c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C","InChI=1S/C29H31ClN4O2/c1-3-26(23-6-4-5-7-25(23)30)31-29(35)20-10-13-27-24(18-20)28(33-32-27)19-8-11-21(12-9-19)36-22-14-16-34(2)17-15-22/h4-13,18,22,26H,3,14-17H2,1-2H3,(H,31,35)(H,32,33)/t26-/m1/s1","","2014-01-08","2014-12-19","N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide","2014-12-24"],["2QL","(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol","C24 H18 O3","OC6c3c(c2c1ccccc1c5c4c2c(c3)ccc4ccc5)CC(O)C6O;O[CH]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[CH](O)[CH]1O;c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)C(C(C(C6)O)O)O","InChI=1S/C24H18O3/c25-19-11-17-18(23(26)24(19)27)10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)22(17)21(13)20(12)15/h1-10,19,23-27H,11H2/t19-,23-,24-/m1/s1","","2014-01-09","2014-03-28","(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol","2014-04-02"],["TNT","1,3-BIS(AMIDINOPHENOXY)PROPANE","C17 H20 N4 O2","O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1;c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N","InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)","","1999-07-08","2011-06-04","4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide",""],["TNU","(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine","C9 H15 N3 O S","Cc1nc(sn1)N1CCOC(C)C1C;C[CH]1OCCN([CH]1C)c2snc(C)n2;Cc1nc(sn1)N2CCOC(C2C)C","InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1","","2023-08-28","2023-11-24","(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine","2023-11-29"],["2QM","N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","C22 H24 I N3 O7","Ic1ccc(cc1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(c2ccc(O)cc2)C(=O)O;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](C(O)=O)c2ccc(O)cc2;c1cc(ccc1C(C(=O)O)NC(=O)NC(CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O","InChI=1S/C22H24IN3O7/c23-15-8-4-14(5-9-15)19(28)24-12-2-1-3-17(20(29)30)25-22(33)26-18(21(31)32)13-6-10-16(27)11-7-13/h4-11,17-18,27H,1-3,12H2,(H,24,28)(H,29,30)(H,31,32)(H2,25,26,33)/t17-,18-/m0/s1","","2014-01-09","2014-05-16","N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","2014-05-21"],["TNV","[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE","C9 H16 N5 O10 P3","C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1","TENOFOVIR-DIPHOSPHATE","2004-04-21","2021-03-01","[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid",""],["2QN","N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","C22 H25 I N4 O6","Ic1ccc(cc1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)Cc2ccncc2;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](Cc2ccncc2)C(O)=O;c1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC(Cc2ccncc2)C(=O)O)I","InChI=1S/C22H25IN4O6/c23-16-6-4-15(5-7-16)19(28)25-10-2-1-3-17(20(29)30)26-22(33)27-18(21(31)32)13-14-8-11-24-12-9-14/h4-9,11-12,17-18H,1-3,10,13H2,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t17-,18-/m0/s1","","2014-01-09","2014-05-16","N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","2014-05-21"],["2QO","(2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid","C18 H16 O3","O=C(O)C=Cc2ccc(O)c(c1cc(ccc1)CC=C)c2;OC(=O)C=Cc1ccc(O)c(c1)c2cccc(CC=C)c2;C=CCc1cccc(c1)c2cc(ccc2O)C=CC(=O)O","InChI=1S/C18H16O3/c1-2-4-13-5-3-6-15(11-13)16-12-14(7-9-17(16)19)8-10-18(20)21/h2-3,5-12,19H,1,4H2,(H,20,21)/b10-8+","(E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid","2014-01-09","2021-03-13","(2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid","2014-10-08"],["TNW","7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one","C17 H16 Cl N3 O","CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13;Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl","InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3","","2021-01-12","2021-04-16","7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one","2021-04-21"],["TNX","1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol","C8 H13 N O4 S","C=1OC(C(C(C=1NC(=S)C)O)O)CO;CC(=S)NC1=CO[CH](CO)[CH](O)[CH]1O;CC(=S)NC1=COC(C(C1O)O)CO","InChI=1S/C8H13NO4S/c1-4(14)9-5-3-13-6(2-10)8(12)7(5)11/h3,6-8,10-12H,2H2,1H3,(H,9,14)/t6-,7-,8-/m1/s1","N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide; N-thioacetyl-D-glucal;\nNTA-glucal","2015-12-18","2020-07-17","1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol","2016-10-26"],["2QP","N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","C21 H24 I N3 O7","Ic1ccc(cc1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)Cc2occc2;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](Cc2occc2)C(O)=O;c1cc(oc1)CC(C(=O)O)NC(=O)NC(CCCCNC(=O)c2ccc(cc2)I)C(=O)O","InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1","","2014-01-09","2014-05-16","N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","2014-05-21"],["2QQ","N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","C19 H22 I N3 O6","O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CC#C;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](CC#C)C(O)=O;C#CCC(C(=O)O)NC(=O)NC(CCCCNC(=O)c1ccc(cc1)I)C(=O)O","InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1","","2014-01-09","2014-05-16","N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine","2014-05-21"],["TNY","(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)","C12 H22 N2 O8","O=C(O)C(N)C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C;C[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)O)NC(=O)C","InChI=1S/C12H22N2O8/c1-4(7(13)11(19)20)21-12-8(14-5(2)16)10(18)9(17)6(3-15)22-12/h4,6-10,12,15,17-18H,3,13H2,1-2H3,(H,14,16)(H,19,20)/t4-,6-,7+,8-,9+,10-,12+/m1/s1","","2009-07-25","2022-02-08","(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)",""],["2QR","(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr\nan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen\ndiphosphate","C22 H33 N4 O20 P3","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OCC(NCc3c(cnc(c3O)C)COP(=O)(O)O)C(O)C4O)O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH](O)[CH]2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2COC(C(C2O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O","InChI=1S/C22H33N4O20P3/c1-9-15(28)11(10(4-23-9)6-42-47(34,35)36)5-24-12-7-41-21(19(32)16(12)29)45-49(39,40)46-48(37,38)43-8-13-17(30)18(31)20(44-13)26-3-2-14(27)25-22(26)33/h2-4,12-13,16-21,24,28-32H,5-8H2,1H3,(H,37,38)(H,39,40)(H,25,27,33)(H2,34,35,36)/t12-,13+,16-,17+,18+,19+,20+,21+/m0/s1","PLP-UDP-Ara4N","2014-01-09","2020-06-17","(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-03-12"],["TNZ","6-chloranyl-2-methoxy-4-phenyl-quinazoline","C15 H11 Cl N2 O","COc1nc2ccc(Cl)cc2c(n1)c3ccccc3;COc1nc2ccc(cc2c(n1)c3ccccc3)Cl","InChI=1S/C15H11ClN2O/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3","","2021-01-12","2021-04-16","6-chloranyl-2-methoxy-4-phenyl-quinazoline","2021-04-21"],["TO0","(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form","C61 H79 N13 O7","CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CC(CC1C(=O)NC1CCCc2ccccc21)NC(=O)COCCN1CCN(CC1)CC=CC(=O)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCCc4ccccc34)NC(=O)COCCN5CCN(CC5)CC=CC(=O)N6CCC[CH](C6)n7nc(c8ccc(Oc9ccccc9)cc8)c%10c(N)ncnc7%10;CC(C(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3CCCc4c3cccc4)NC(=O)COCCN5CCN(CC5)CC=CC(=O)N6CCCC(C6)n7c8c(c(n7)c9ccc(cc9)Oc1ccccc1)c(ncn8)N)NC","InChI=1S/C61H79N13O7/c1-41(63-2)59(77)68-56(43-15-5-3-6-16-43)61(79)73-37-45(36-51(73)60(78)67-50-22-11-17-42-14-9-10-21-49(42)50)66-52(75)39-80-35-34-71-32-30-70(31-33-71)28-13-23-53(76)72-29-12-18-46(38-72)74-58-54(57(62)64-40-65-58)55(69-74)44-24-26-48(27-25-44)81-47-19-7-4-8-20-47/h4,7-10,13-14,19-21,23-27,40-41,43,45-46,50-51,56,63H,3,5-6,11-12,15-18,22,28-39H2,1-2H3,(H,66,75)(H,67,78)(H,68,77)(H2,62,64,65)/b23-13+/t41-,45-,46+,50+,51-,56-/m0/s1","","2022-07-27","2023-03-03","(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide","2023-03-08"],["2QS","(2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name)","C19 H24 I N3 O7","O=C(NC(C(=O)O)CC1OC1)NC(C(=O)O)CCCCNC(=O)c2ccc(I)cc2;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](C[CH]2CO2)C(O)=O;c1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CC2CO2)C(=O)O)I","InChI=1S/C19H24IN3O7/c20-12-6-4-11(5-7-12)16(24)21-8-2-1-3-14(17(25)26)22-19(29)23-15(18(27)28)9-13-10-30-13/h4-7,13-15H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t13-,14-,15-/m0/s1","","2014-01-09","2014-05-16","(2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name)","2014-05-21"],["2QT","N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide","C20 H20 F N5 O","O=C(Nc3cc(c2cc1c(ncnc1cc2)N)cc(F)c3)CN4CCCC4;Nc1ncnc2ccc(cc12)c3cc(F)cc(NC(=O)CN4CCCC4)c3;c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N","InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)","","2014-01-09","2014-04-18","N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide","2014-04-23"],["TO1","4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C12 H13 N5 O4","N#Cc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N;Nc1ncnc2n(cc(C#N)c12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C#N","InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1","TOYOCAMYCIN","2011-04-22","2020-06-17","4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["2QU","6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine","C12 H8 F N5","Fc3nccc(c2nc1c(ncnc1N)cc2)c3;Nc1ncnc2ccc(nc12)c3ccnc(F)c3;c1cc(nc2c1ncnc2N)c3ccnc(c3)F","InChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17)","","2014-01-09","2014-04-18","6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine","2014-04-23"],["TO2","(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol","C18 H22 O6","O(c1ccc(cc1OC)C(O)C(Oc2ccccc2OC)CO)C;COc1ccccc1O[CH](CO)[CH](O)c2ccc(OC)c(OC)c2;COc1ccccc1OC(CO)C(c2ccc(c(c2)OC)OC)O","InChI=1S/C18H22O6/c1-21-13-6-4-5-7-15(13)24-17(11-19)18(20)12-8-9-14(22-2)16(10-12)23-3/h4-10,17-20H,11H2,1-3H3/t17-,18+/m0/s1","","2011-08-04","2012-09-07","(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol","2012-09-07"],["TO3","N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide","C20 H15 F4 N3 O4 S","C(=O)(NO)c3ccc(CN(Cc1cnccc1)S(c2cc(c(c(F)c2F)F)F)(=O)=O)cc3;ONC(=O)c1ccc(CN(Cc2cccnc2)[S](=O)(=O)c3cc(F)c(F)c(F)c3F)cc1;c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F","InChI=1S/C20H15F4N3O4S/c21-15-8-16(18(23)19(24)17(15)22)32(30,31)27(11-13-2-1-7-25-9-13)10-12-3-5-14(6-4-12)20(28)26-29/h1-9,29H,10-11H2,(H,26,28)","","2020-08-07","2021-06-11","N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide","2021-06-16"],["2QV","6-(3-chlorophenyl)quinazolin-4-amine","C14 H10 Cl N3","Clc3cccc(c2cc1c(ncnc1N)cc2)c3;Nc1ncnc2ccc(cc12)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N","InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)","","2014-01-09","2014-04-18","6-(3-chlorophenyl)quinazolin-4-amine","2014-04-23"],["TO4","propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate","C15 H30 F O2 P","P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C;CC(C)O[P](F)(=O)CCCCCCCCCCC=C;CC(C)OP(=O)(CCCCCCCCCCC=C)F","InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1","11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester","2020-03-25","2024-09-27","propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate","2020-04-08"],["2QW","(2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide","C20 H31 N3 O2 Se","O=C(Nc1ccc(cc1)C)C(NC(=O)C(N)CC[Se]C)C2CCCCC2;C[Se]CC[CH](N)C(=O)N[CH](C1CCCCC1)C(=O)Nc2ccc(C)cc2;Cc1ccc(cc1)NC(=O)C(C2CCCCC2)NC(=O)C(CC[Se]C)N","InChI=1S/C20H31N3O2Se/c1-14-8-10-16(11-9-14)22-20(25)18(15-6-4-3-5-7-15)23-19(24)17(21)12-13-26-2/h8-11,15,17-18H,3-7,12-13,21H2,1-2H3,(H,22,25)(H,23,24)/t17-,18-/m0/s1","","2014-04-30","2015-06-12","(2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide","2015-06-17"],["2QX","methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate","C44 H54 F N5 O4","O=C(OC)NCC(c1c(F)ccc(c1)CCCCCc2ccc(cc2)NC(=O)C(N3C(=O)C(N)CCC3)C4CCCCC4)Cc5cc6ccccc6nc5;COC(=O)NC[CH](Cc1cnc2ccccc2c1)c3cc(CCCCCc4ccc(NC(=O)[CH](C5CCCCC5)N6CCC[CH](N)C6=O)cc4)ccc3F;COC(=O)NCC(Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)C(C5CCCCC5)N6CCCC(C6=O)N","InChI=1S/C44H54FN5O4/c1-54-44(53)48-29-35(26-32-25-34-15-8-9-17-40(34)47-28-32)37-27-31(20-23-38(37)45)12-5-2-4-11-30-18-21-36(22-19-30)49-42(51)41(33-13-6-3-7-14-33)50-24-10-16-39(46)43(50)52/h8-9,15,17-23,25,27-28,33,35,39,41H,2-7,10-14,16,24,26,29,46H2,1H3,(H,48,53)(H,49,51)/t35-,39+,41+/m1/s1","","2014-04-30","2015-06-12","methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate","2015-06-17"],["TO5","7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one","C15 H13 Cl N4 O","CN(C)C1=NC(=O)N(c2cccnc2)c3cc(Cl)ccc13;CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3","InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3","","2021-01-12","2021-04-16","7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one","2021-04-21"],["2QY","(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid","C10 H11 N O3","O=C(O)/C(=C/c1ccc(O)cc1)NC;CNC(=Cc1ccc(O)cc1)C(O)=O;CNC(=Cc1ccc(cc1)O)C(=O)O","InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6-","","2014-01-09","2024-09-27","(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid","2014-04-02"],["TO6","5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile","C14 H11 N5 O2","COc1cc(ccc1O)C=C(C#N)c2[nH]nc(N)c2C#N;COc1cc(ccc1O)C=C(C#N)c2c(c(n[nH]2)N)C#N","InChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+","","2023-01-12","2024-04-19","3-azanyl-5-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1~{H}-pyrazole-4-carbonitrile","2024-04-24"],["2QZ","N,N-dimethyl-L-threonine","C6 H13 N O3","O=C(O)C(N(C)C)C(O)C;C[CH](O)[CH](N(C)C)C(O)=O;CC(C(C(=O)O)N(C)C)O","InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1","","2014-01-10","2024-09-27","N,N-dimethyl-L-threonine","2014-04-02"],["TO7","(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone","C17 H18 N4 O3 S","c4ccc(c(C(c1sc(nc1N)NC3C2CCC(C2)C3)=O)c4)[N+]([O-])=O;Nc1nc(N[CH]2C[CH]3CC[CH]2C3)sc1C(=O)c4ccccc4[N+]([O-])=O;c1ccc(c(c1)C(=O)c2c(nc(s2)NC3CC4CCC3C4)N)[N+](=O)[O-]","InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1","MC180295","2020-03-25","2021-08-27","(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone","2021-09-01"],["2R1","(2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid","C6 H9 N O4","O=C(O)/C(N)=C(/CO)C1OC1;NC(C(O)=O)=C(CO)[CH]1CO1;C1C(O1)C(=C(C(=O)O)N)CO","InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1","","2014-01-10","2024-09-27","(2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid","2014-04-02"],["TO8","7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one","C10 H10 Cl N3 O","CN(C)C1=NC(=O)Nc2cc(Cl)ccc12;CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl","InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15)","","2021-01-12","2021-04-16","7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one","2021-04-21"],["TO9","(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid","C9 H10 O5","O[CH](Cc1ccc(O)c(O)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)O)O)O","InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1","Danshensu","2023-04-28","2024-01-05","(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid","2024-01-10"],["2R2","[4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone","C17 H19 F3 N4 O4 S","FC(F)(F)c1cc2nc(sc2c(c1C)[N+]([O-])=O)C(=O)N3CCN(CCOC)CC3;COCCN1CCN(CC1)C(=O)c2sc3c(cc(c(C)c3[N+]([O-])=O)C(F)(F)F)n2;Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F","InChI=1S/C17H19F3N4O4S/c1-10-11(17(18,19)20)9-12-14(13(10)24(26)27)29-15(21-12)16(25)23-5-3-22(4-6-23)7-8-28-2/h9H,3-8H2,1-2H3","","2014-05-01","2015-10-16","[4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone","2015-10-21"],["TOA","3-ammonio-3-deoxy-alpha-D-glucopyranose","C6 H14 N O5","OC1C([NH3+])C(O)C(OC1O)CO;[NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;C(C1C(C(C(C(O1)O)O)[NH3+])O)O","InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1","3-DEOXY-3-AMINO GLUCOSE; 3-ammonio-3-deoxy-alpha-D-glucose; 3-ammonio-3-deoxy-D-glucose; 3-ammonio-3-deoxy-glucose","1999-07-08","2020-07-17","3-ammonio-3-deoxy-alpha-D-glucopyranose",""],["2R3","(betaR)-beta-hydroxy-O-methyl-L-tyrosine","C10 H13 N O4","O=C(O)C(N)C(O)c1ccc(OC)cc1;COc1ccc(cc1)[CH](O)[CH](N)C(O)=O;COc1ccc(cc1)C(C(C(=O)O)N)O","InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1","","2014-01-10","2024-09-27","(betaR)-beta-hydroxy-O-methyl-L-tyrosine","2014-04-02"],["TOB","1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE","C6 H16 N2 O2","OC1CC([NH3+])CC([NH3+])C1O;[NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)C1;C1C(CC(C(C1[NH3+])O)O)[NH3+]","InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1","","1999-07-08","2011-06-04","(1S,3R,4S,5S)-4,5-dihydroxycyclohexane-1,3-diaminium",""],["2R4","8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one","C25 H19 N O3 S","O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5;O=C1C=C(Oc2c1cccc2c3cccc4c3sc5ccccc45)N6CCOCC6;c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6","InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2","NU7441","2014-01-10","2021-03-01","8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one","2014-03-05"],["2R5","N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide","C27 H32 N6 O3 S","O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCn3cccc3)cc4;Cc1cnc(Nc2ccc(OCCn3cccc3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C;Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4","InChI=1S/C27H32N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h5-15,18-19,32H,16-17H2,1-4H3,(H2,28,29,30,31)","TG101348","2014-01-10","2020-06-17","N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide","2014-03-05"],["TOC","2,6-diammonio-2,3,6-trideoxy-alpha-D-glucopyranose","C6 H16 N2 O3","OC1C(OC(O)C([NH3+])C1)C[NH3+];[NH3+]C[CH]1O[CH](O)[CH]([NH3+])C[CH]1O;C1C(C(OC(C1O)C[NH3+])O)[NH3+]","InChI=1S/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6+/m1/s1","2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE; 2,6-diammonio-2,3,6-trideoxy-alpha-D-glucose;\n2,6-diammonio-2,3,6-trideoxy-D-glucose; 2,6-diammonio-2,3,6-trideoxy-glucose","1999-07-08","2020-07-17","2,6-diammonio-2,3,6-trideoxy-alpha-D-ribo-hexopyranose",""],["2R6","8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one","C24 H30 N2 O2","O=C2NCCc1cc(cc(c12)CC(C)C)n4c3c(C(=O)CC(C3)(C)C)c(c4)C;CC(C)Cc1cc(cc2CCNC(=O)c12)n3cc(C)c4C(=O)CC(C)(C)Cc34;Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4","InChI=1S/C24H30N2O2/c1-14(2)8-17-10-18(9-16-6-7-25-23(28)22(16)17)26-13-15(3)21-19(26)11-24(4,5)12-20(21)27/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,25,28)","","2014-01-10","2014-04-04","8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one","2014-04-09"],["TOD","(2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid","C16 H22 N2 O6","O=C(NO)C(O)C(C(=O)NC(C(=O)O)c1ccccc1)CC(C)C;CC(C)C[CH]([CH](O)C(=O)NO)C(=O)N[CH](C(O)=O)c1ccccc1;CC(C)CC(C(C(=O)NO)O)C(=O)NC(c1ccccc1)C(=O)O","InChI=1S/C16H22N2O6/c1-9(2)8-11(13(19)15(21)18-24)14(20)17-12(16(22)23)10-6-4-3-5-7-10/h3-7,9,11-13,19,24H,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12+,13+/m1/s1","","2014-12-02","2015-02-13","(2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid","2015-02-18"],["2R7","N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine","C18 H22 I N3 O6","O=C(NC(C(=O)O)CCCCNC(=O)c1ccc(I)cc1)NC2(C(=O)O)CC2;OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)NC2(CC2)C(O)=O;c1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC2(CC2)C(=O)O)I","InChI=1S/C18H22IN3O6/c19-12-6-4-11(5-7-12)14(23)20-10-2-1-3-13(15(24)25)21-17(28)22-18(8-9-18)16(26)27/h4-7,13H,1-3,8-10H2,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-/m0/s1","","2014-01-10","2014-05-16","N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine","2014-05-21"],["TOE","2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL","C7 H16 O4","OCCOCCOCCOC;COCCOCCOCCO;COCCOCCOCCO","InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3","","1999-07-08","2025-04-03","2-[2-(2-methoxyethoxy)ethoxy]ethanol",""],["2R8","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide","C35 H47 N5 O9 S","O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2/C=C)CC(Oc3nccc4c3ccc(OC)c4)C5)C(NC(=O)OC(C)(C)C)C(C)(C)C;COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C]4(C[CH]4C=C)C(=O)N[S](=O)(=O)C5CC5)nccc2c1;CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C","InChI=1S/C35H47N5O9S/c1-9-21-18-35(21,31(43)39-50(45,46)24-11-12-24)38-28(41)26-17-23(48-29-25-13-10-22(47-8)16-20(25)14-15-36-29)19-40(26)30(42)27(33(2,3)4)37-32(44)49-34(5,6)7/h9-10,13-16,21,23-24,26-27H,1,11-12,17-19H2,2-8H3,(H,37,44)(H,38,41)(H,39,43)/t21-,23-,26+,27-,35-/m1/s1","","2014-01-10","2014-03-21","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide","2014-03-26"],["TOF","1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione","C7 H7 N5 O2","O=C2N=C1C(=NC=NN1C)C(=O)N2C;CN1N=CN=C2C(=O)N(C)C(=O)N=C12;CN1C2=NC(=O)N(C(=O)C2=NC=N1)C","InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3","Toxoflavin","2010-09-27","2021-03-01","1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione",""],["2R9","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide","C35 H46 Cl N5 O9 S","O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2/C=C)CC(Oc3ncc(OC)c4c3cc(Cl)cc4)C5)C(NC(=O)OC(C)(C)C)C(C)(C)C;COc1cnc(O[CH]2C[CH](N(C2)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C]3(C[CH]3C=C)C(=O)N[S](=O)(=O)C4CC4)c5cc(Cl)ccc15;CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C","InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1","Asunaprevir","2014-01-10","2021-03-01","N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide","2014-03-26"],["TOG","4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3\n-ium-2-yl]-4-oxidanyl-butanoic acid","C16 H24 N4 O10 P2 S","Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C-](O)CCC(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26)","ThDP and decarboxylated 2-oxoglutarate adduct, covalent intermediate I, carboanion form","2015-11-17","2024-09-25","4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid","2016-06-22"],["TOH","(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID","C10 H8 O4","O=C(O)C(=O)/C=Cc1ccccc1O;OC(=O)C(=O)C=Cc1ccccc1O;c1ccc(c(c1)C=CC(=O)C(=O)O)O","InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)","","2006-12-11","2011-06-04","(3Z)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid",""],["2RA","3-amino-D-alanine","C3 H8 N2 O2","O=C(O)C(N)CN;NC[CH](N)C(O)=O;C(C(C(=O)O)N)N","InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1","diaminopropanoic acid","2010-09-27","2024-09-27","3-amino-D-alanine",""],["TOI","(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl\n(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid\nanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid","C26 H35 N4 O16 P2 S","CC1=NC(=N)C(=CN1)C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CCC(O)=O)[CH]3C=C[CH](OC(=C)C(O)=O)[CH](O)[CH]3C(O)=O;Cc1c(sc([n+]1CC2=CNC(=NC2=N)C)C(CCC(=O)O)(C3C=CC(C(C3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C26H34N4O16P2S/c1-12-18(7-9-44-48(42,43)46-47(39,40)41)49-25(30(12)11-15-10-28-14(3)29-22(15)27)26(38,8-6-19(31)32)16-4-5-17(45-13(2)23(34)35)21(33)20(16)24(36)37/h4-5,10,16-17,20-21,33,38H,2,6-9,11H2,1,3H3,(H7-,27,28,29,31,32,34,35,36,37,39,40,41,42,43)/p+1/t16-,17-,20+,21+,26-/m0/s1","ThDP, decarboxylated 2-oxoglutarate and isochorismate adduct, covalent intermediate II","2015-11-17","2020-06-17","(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid","2016-06-22"],["2RB","N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide","C15 H12 Br2 N2 O4","Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(OC)cc2;COc1ccc(cc1)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O;COc1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br","InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+","","2008-07-16","2011-06-04","N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide",""],["TOJ","(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone","C17 H18 N4 O3 S","c1cc(c(cc1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC4C3CC(CC3)C4)N;Nc1nc(N[CH]2C[CH]3CC[CH]2C3)sc1C(=O)c4ccccc4[N+]([O-])=O;c1ccc(c(c1)C(=O)c2c(nc(s2)NC3CC4CCC3C4)N)[N+](=O)[O-]","InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m0/s1","","2020-03-25","2021-08-27","(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone","2021-09-01"],["2RC","[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate","C23 H26 F N6 O9 P","Fc1cnc(nc1Nc2nc3N(C(=O)C(Oc3cc2)(C)C)COP(=O)(O)O)Nc4cc(OC)c(OC)c(OC)c4;COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(CO[P](O)(O)=O)c4n3)n2)cc(OC)c1OC;CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C","InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)","Fostamatinib","2014-01-13","2021-03-01","[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate","2014-03-05"],["2RD","5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid","C15 H27 N3 O2 S","O=C(O)c1nnnc1SCCCCCCCCCCCC;CCCCCCCCCCCCSc1[nH]nnc1C(O)=O;CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O","InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18)","4-carboxy-5-dodecylsulfanyl-1,2,3-triazole","2007-10-08","2020-06-17","5-(dodecylsulfanyl)-1H-1,2,3-triazole-4-carboxylic acid",""],["TOK","(3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol","C26 H32 N2 O","n2c1ccccc1n(c2)C4=CCC5C6CC=C3CC(O)CCC3(C)C6CCC45C;C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4n5cnc6ccccc56;CC12CCC(CC1=CCC3C2CCC4(C3CC=C4n5cnc6c5cccc6)C)O","InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1","","2011-08-08","2012-01-20","(3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol",""],["2RE","4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol","C20 H14 F N3 O","Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4;Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4;c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O","InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)","","2014-01-13","2014-02-28","4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol","2014-03-05"],["TOL","TOLRESTAT","C16 H14 F3 N O3 S","O=C(O)CN(C(=S)c2c1ccc(OC)c(c1ccc2)C(F)(F)F)C;COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O;CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC","InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)","","1999-07-08","2011-06-04","N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine",""],["2RF","3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione","C16 H10 Cl2 N2 O3","O=C2C(Nc1cc(Cl)c(O)cc1)=C(C(=O)N2)c3cccc(Cl)c3;Oc1ccc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)cc1Cl;c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O","InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)","","2014-01-13","2014-02-28","3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione","2014-03-05"],["TOM","4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID","C11 H10 O4","O=C(O)C(=O)/C=Cc1ccccc1OC;COc1ccccc1C=CC(=O)C(O)=O;COc1ccccc1C=CC(=O)C(=O)O","InChI=1S/C11H10O4/c1-15-10-5-3-2-4-8(10)6-7-9(12)11(13)14/h2-7H,1H3,(H,13,14)/b7-6-","","2006-12-11","2011-06-04","(3Z)-4-(2-methoxyphenyl)-2-oxobut-3-enoic acid",""],["TON","2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL","C18 H30 O3","O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCO;CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1;CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO","InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3","","2004-03-03","2011-06-04","2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol",""],["2RG","(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C22 H27 N3 O7 S","O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2C(=NC(C2C)C(C=O)C(O)C)C(=O)O)C3;C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-,19+/m1/s1","ERTAPENEM, bound form POST-ISOMERIZED","2010-04-07","2024-09-27","(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid",""],["TOO","(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form","C61 H81 N13 O7","CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CC(CC1C(=O)NC1CCCc2ccccc21)NC(=O)COCCN1CCN(CC1)CCCC(=O)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCCc4ccccc34)NC(=O)COCCN5CCN(CCCC(=O)N6CCC[CH](C6)n7nc(c8ccc(Oc9ccccc9)cc8)c%10c(N)ncnc7%10)CC5;CC(C(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3CCCc4c3cccc4)NC(=O)COCCN5CCN(CC5)CCCC(=O)N6CCCC(C6)n7c8c(c(n7)c9ccc(cc9)Oc1ccccc1)c(ncn8)N)NC","InChI=1S/C61H81N13O7/c1-41(63-2)59(77)68-56(43-15-5-3-6-16-43)61(79)73-37-45(36-51(73)60(78)67-50-22-11-17-42-14-9-10-21-49(42)50)66-52(75)39-80-35-34-71-32-30-70(31-33-71)28-13-23-53(76)72-29-12-18-46(38-72)74-58-54(57(62)64-40-65-58)55(69-74)44-24-26-48(27-25-44)81-47-19-7-4-8-20-47/h4,7-10,14,19-21,24-27,40-41,43,45-46,50-51,56,63H,3,5-6,11-13,15-18,22-23,28-39H2,1-2H3,(H,66,75)(H,67,78)(H,68,77)(H2,62,64,65)/t41-,45-,46-,50-,51+,56+/m1/s1","","2022-07-27","2024-09-27","(4R)-4-(2-{2-[4-(4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobutyl)piperazin-1-yl]ethoxy}acetamido)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide","2023-03-08"],["2RH","(2R)-2-hydroxy-4-methylpentanoic acid","C6 H12 O3","O=C(O)C(O)CC(C)C;CC(C)C[CH](O)C(O)=O;CC(C)CC(C(=O)O)O","InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1","(R)-2-hydroxyisocaproate","2010-07-28","2021-03-01","(2R)-2-hydroxy-4-methylpentanoic acid",""],["2RI","(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide","C30 H26 F N3 O4","C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3;CC(c1ccc(cc1)F)NC(=O)C(c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)C(C)O","InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1","","2021-07-09","2024-09-27","(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide","2021-07-21"],["TOP","TRIMETHOPRIM","C14 H18 N4 O3","n1c(N)c(cnc1N)Cc2cc(OC)c(OC)c(OC)c2;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N","InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)","","1999-07-08","2011-06-04","5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",""],["2RJ","2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine","C26 H26 F N5 O","Fc5ccc(c1ncn(c1c3nc(Oc2cccc(c2C)C)ncc3)C4CCNCC4)cc5;Cc1cccc(Oc2nccc(n2)c3n(cnc3c4ccc(F)cc4)C5CCNCC5)c1C;Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F","InChI=1S/C26H26FN5O/c1-17-4-3-5-23(18(17)2)33-26-29-15-12-22(31-26)25-24(19-6-8-20(27)9-7-19)30-16-32(25)21-10-13-28-14-11-21/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3","","2014-01-13","2014-02-28","2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine","2014-03-05"],["TOQ","6,7-dihydroxy-L-tryptophan","C11 H12 N2 O4","O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2;N[CH](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O;c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)O","InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1","","2011-07-22","2024-09-27","6,7-dihydroxy-L-tryptophan",""],["2RK","4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine","C22 H23 N5 O","O=NC2=C1C=C/C(C=C1CC2)=C4/N=C(NC/4=C3C=CNC=C3)C5CCNCC5;O=NC1=C2C=CC(C=C2CC1)=C3N=C(NC3=C4C=CNC=C4)C5CCNCC5;C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2","InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,23-24H,2,4,7-8,11-12H2,(H,25,26)/b21-17-","","2014-01-13","2014-02-28","4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine","2014-03-05"],["TOR","[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate","C12 H21 N O8 S","O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N;CC1(C)O[CH]2CO[C]3(CO[S](N)(=O)=O)OC(C)(C)O[CH]3[CH]2O1;CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C","InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1","topiramate","2009-06-03","2021-03-01","[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name)",""],["TOS","P-SULFINOTOLUENE","C7 H8 O2 S","O=S(O)c1ccc(cc1)C;Cc1ccc(cc1)[S](O)=O;Cc1ccc(cc1)S(=O)O","InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)","","1999-07-08","2012-01-05","4-methylbenzenesulfinic acid",""],["2RL","N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE","C26 H22 Cl N3 O5","Clc1ccc(cc1)NC(=O)N2c5c(OCC2)cc(Oc3c4cc(OC)c(OC)cc4ncc3)cc5;COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc5ccc(Cl)cc5)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl","InChI=1S/C26H22ClN3O5/c1-32-24-14-19-20(15-25(24)33-2)28-10-9-22(19)35-18-7-8-21-23(13-18)34-12-11-30(21)26(31)29-17-5-3-16(27)4-6-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)","","2007-11-01","2011-06-04","N-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide",""],["2RM","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide","C22 H16 F2 N2 O3 S","Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4ccc3cccn3c4;Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4cccn4c3)cc2;c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F","InChI=1S/C22H16F2N2O3S/c23-17-10-18(24)12-21(11-17)30(28,29)20-7-3-15(4-8-20)13-25-22(27)16-5-6-19-2-1-9-26(19)14-16/h1-12,14H,13H2,(H,25,27)","","2014-01-13","2014-06-13","N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide","2014-06-18"],["TOT","1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM","C49 H58 N6 S2","S1c8ccccc8N(C/1=Cc3c2c(cccc2)[n+](cc3)CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]5c4c(cccc4)c(cc5)C=C7/Sc6ccccc6N7C)C;CN1C(Sc2ccccc12)=Cc3cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]4ccc(C=C5Sc6ccccc6N5C)c7ccccc47)c8ccccc38;CN1c2ccccc2SC1=Cc3cc[n+](c4c3cccc4)CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]5ccc(c6c5cccc6)C=C7N(c8ccccc8S7)C","InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4","","1999-07-08","2011-06-07","1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}",""],["TOU","THIOUREA","C H4 N2 S","S=C(N)N;NC(N)=S;C(=S)(N)N","InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)","","2005-11-23","2011-06-04","thiourea",""],["2RN","3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol","C20 H15 N3 O","n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4;Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4;c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O","InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)","","2014-01-13","2014-02-28","3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol","2014-03-05"],["TOV","N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide","C24 H20 F N5 O3 S","O=C(c1cc(ccc1F)O)Nc4cccc(c3c(c2cc(NC(C)=O)ncc2)nc(n3)SC)c4;CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4cc(O)ccc4F)c3;CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O","InChI=1S/C24H20FN5O3S/c1-13(31)27-20-11-15(8-9-26-20)22-21(29-24(30-22)34-2)14-4-3-5-16(10-14)28-23(33)18-12-17(32)6-7-19(18)25/h3-12,32H,1-2H3,(H,28,33)(H,29,30)(H,26,27,31)","","2020-03-25","2021-03-26","N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide","2021-03-31"],["2RO","5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C17 H20 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C(C)(C)C;CC(C)(C)c1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1;CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C17H20N2O4/c1-17(2,3)11-7-4-10(5-8-11)6-9-12-13(15(21)22)18-16(23)19-14(12)20/h4-5,7-8H,6,9H2,1-3H3,(H,21,22)(H2,18,19,20,23)","","2012-11-27","2013-11-22","5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-27"],["2RP","(2R)-pentan-2-ol","C5 H12 O","OC(C)CCC;CCC[CH](C)O;CCCC(C)O","InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","","2008-04-10","2021-03-12","(2R)-pentan-2-ol","2021-03-17"],["TOW","7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one","C12 H14 Cl N3 O2","CN(C)C1=NC(=O)N(CCO)c2cc(Cl)ccc12;CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO","InChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3","","2021-01-12","2021-04-16","7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one","2021-04-21"],["2RQ","4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine","C25 H24 F N5 O2","Fc5ccc(c1ncn(c1c3nc(Oc2ccccc2OC)ncc3)C4CCNCC4)cc5;COc1ccccc1Oc2nccc(n2)c3n(cnc3c4ccc(F)cc4)C5CCNCC5;COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F","InChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3","","2014-01-13","2014-02-28","4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine","2014-03-05"],["TOX","1-hydroperoxy-L-tryptophan","C11 H12 N2 O4","O=C(O)C(N)Cc2c1ccccc1n(OO)c2;N[CH](Cc1cn(OO)c2ccccc12)C(O)=O;c1ccc2c(c1)c(cn2OO)CC(C(=O)O)N","InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1","","2006-08-21","2024-09-27","1-hydroperoxy-L-tryptophan",""],["2RR","3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile","C20 H17 N7 O2","O=C(c1ccc(N)cc1)Cn3c4ccccc4nc3c2nonc2NCCC#N;Nc1ccc(cc1)C(=O)Cn2c3ccccc3nc2c4nonc4NCCC#N;c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N","InChI=1S/C20H17N7O2/c21-10-3-11-23-19-18(25-29-26-19)20-24-15-4-1-2-5-16(15)27(20)12-17(28)13-6-8-14(22)9-7-13/h1-2,4-9H,3,11-12,22H2,(H,23,26)","","2014-01-14","2014-02-28","3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile","2014-03-05"],["TOY","TOBRAMYCIN","C18 H37 N5 O9","O(C2C(O)C(OC1OC(CN)C(O)CC1N)C(N)CC2N)C3OC(C(O)C(N)C3O)CO;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O)[CH](N)C[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N","InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1","4-AMINO-2-[4,6-DIAMINO-3-(3-AMINO-6-AMINOMETHYL-5-HYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-2-HYDROXY-CYCLOHEXYLOXY]-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL","2002-04-09","2021-03-13","(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside",""],["2RS","4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile","C26 H31 N7 O2","N#Cc1ccc(cc1)Nc2nc(nc(n2)Nc3c(cc(cc3C)C)C)OCCCN4CCOCC4;Cc1cc(C)c(Nc2nc(Nc3ccc(cc3)C#N)nc(OCCCN4CCOCC4)n2)c(C)c1;Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C","InChI=1S/C26H31N7O2/c1-18-15-19(2)23(20(3)16-18)29-25-30-24(28-22-7-5-21(17-27)6-8-22)31-26(32-25)35-12-4-9-33-10-13-34-14-11-33/h5-8,15-16H,4,9-14H2,1-3H3,(H2,28,29,30,31,32)","","2014-01-14","2014-05-16","4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile","2014-05-21"],["TOZ","2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid","C8 H7 N3 O3 S","NCc1scc(n1)c2occ(n2)C(O)=O;c1c(nc(o1)c2csc(n2)CN)C(=O)O","InChI=1S/C8H7N3O3S/c9-1-6-10-5(3-15-6)7-11-4(2-14-7)8(12)13/h2-3H,1,9H2,(H,12,13)","","2018-06-04","2024-09-27","2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid","2019-01-30"],["TP0","Amitriptyline","C20 H23 N","c3cc2c(/C(c1c(cccc1)CC2)=C/CCN(C)C)cc3;CN(C)CCC=C1c2ccccc2CCc3ccccc13;CN(C)CCC=C1c2ccccc2CCc3c1cccc3","InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine","2010-11-09","2020-06-17","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine",""],["2RT","4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile","C19 H18 N6","N#Cc1ccc(cc1)Nc2ncnc(n2)Nc3c(cc(cc3C)C)C;Cc1cc(C)c(Nc2ncnc(Nc3ccc(cc3)C#N)n2)c(C)c1;Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C","InChI=1S/C19H18N6/c1-12-8-13(2)17(14(3)9-12)24-19-22-11-21-18(25-19)23-16-6-4-15(10-20)5-7-16/h4-9,11H,1-3H3,(H2,21,22,23,24,25)","","2014-01-14","2020-05-27","4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile","2014-11-05"],["TP1","2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE","C12 H18 N4 O5","O=C(N(CC(=O)O)CCNC)CN1C=C(C(=O)NC1=O)C;CNCCN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O","InChI=1S/C12H18N4O5/c1-8-5-16(12(21)14-11(8)20)6-9(17)15(4-3-13-2)7-10(18)19/h5,13H,3-4,6-7H2,1-2H3,(H,18,19)(H,14,20,21)","","1999-07-08","2011-06-04","N-[2-(methylamino)ethyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine",""],["2RU","1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea","C17 H22 F3 N3 O2","O=C(N2CCC(NC(=O)Nc1ccc(cc1)C(F)(F)F)CC2)C(C)C;CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F;CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F","InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)","","2014-01-14","2014-09-19","1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea","2014-09-24"],["2RV","1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea","C16 H20 F3 N3 O3","O=C(N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)CC2)CC;CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(OC(F)(F)F)cc2;CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F","InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)","","2014-01-14","2014-09-19","1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea","2014-09-24"],["TP2","N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL","C14 H20 N2 O3 S2","O=C(NCCS)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2;Cc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)NCCS;Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)NCCS","InChI=1S/C14H20N2O3S2/c1-11-4-6-12(7-5-11)21(18,19)16-9-2-3-13(16)14(17)15-8-10-20/h4-7,13,20H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1","","2000-06-13","2024-09-27","1-[(4-methylphenyl)sulfonyl]-N-(2-sulfanylethyl)-D-prolinamide",""],["2RW","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C15 H23 N5 O12 P2","O=P(OCC1OCCC1O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OCC[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(CCO4)O)O)O)N","InChI=1S/C15H23N5O12P2/c16-13-10-14(18-5-17-13)20(6-19-10)15-12(23)11(22)9(31-15)4-30-34(26,27)32-33(24,25)29-3-8-7(21)1-2-28-8/h5-9,11-12,15,21-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,9+,11+,12+,15+/m0/s1","","2014-01-14","2014-04-25","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-04-30"],["TP3","4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE","C17 H20 N2 O9 S","O=C(O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2;OC(=O)CC[CH](NC(=O)c1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)S(=O)(=O)N2CCCC2C(=O)O","InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1","SP-722","2000-06-13","2020-06-17","N-[(4-{[(2R)-2-carboxypyrrolidin-1-yl]sulfonyl}phenyl)carbonyl]-L-glutamic acid",""],["TP4","N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID","C20 H25 N3 O10 S","O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2;OC(=O)CCNC(=O)[CH]1CCCN1[S](=O)(=O)c2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)S(=O)(=O)N2CCCC2C(=O)NCCC(=O)O","InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1","SP-876","2000-06-13","2020-06-17","1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alanine",""],["2RX","O-thiophosphono-L-serine","C3 H8 N O5 P S","O=P(OCC(C(=O)O)N)(O)S;N[CH](CO[P](O)(S)=O)C(O)=O;C(C(C(=O)O)N)OP(=O)(O)S","InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1","","2014-01-14","2024-09-27","O-thiophosphono-L-serine","2014-05-28"],["TP5","THIOPHENE-3-CARBOXIMIDAMIDE","C5 H6 N2 S","[N@H]=C(N)c1ccsc1;NC(=N)c1cscc1;[H]N=C(c1ccsc1)N","InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)","","2005-09-13","2011-06-04","thiophene-3-carboximidamide",""],["2RY","1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone","C22 H21 F3 N4 O S","FC(F)(F)c1ccccc1CC(=O)N2CCN(CC2)c3ncnc4sc5CCCc5c34;c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F","InChI=1S/C22H21F3N4OS/c23-22(24,25)16-6-2-1-4-14(16)12-18(30)28-8-10-29(11-9-28)20-19-15-5-3-7-17(15)31-21(19)27-13-26-20/h1-2,4,6,13H,3,5,7-12H2","","2014-01-15","2020-02-12","1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone","2014-07-02"],["TP6","3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE","C15 H25 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)CCOP(=O)(O)O","InChI=1S/C15H25N4O11P/c20-7-9(22)11(23)8(21)6-19-12-10(13(24)17-14(25)16-12)18(15(19)26)4-2-1-3-5-30-31(27,28)29/h8-9,11,20-23H,1-7H2,(H2,27,28,29)(H2,16,17,24,25)/t8-,9-,11+/m1/s1","","2005-12-09","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[5-(phosphonooxy)pentyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",""],["2RZ","N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide","C29 H34 N4 O6","O=C(NC(=[N@H])NC(C(=O)NCc1cc(OC)c(OC)cc1)Cc2ccccc2)Cc3ccc(OC)c(OC)c3;COc1ccc(CNC(=O)[CH](Cc2ccccc2)NC(=N)NC(=O)Cc3ccc(OC)c(OC)c3)cc1OC;COc1ccc(cc1OC)CC(=O)NC(=N)NC(Cc2ccccc2)C(=O)NCc3ccc(c(c3)OC)OC","InChI=1S/C29H34N4O6/c1-36-23-12-10-20(15-25(23)38-3)17-27(34)33-29(30)32-22(14-19-8-6-5-7-9-19)28(35)31-18-21-11-13-24(37-2)26(16-21)39-4/h5-13,15-16,22H,14,17-18H2,1-4H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1","","2014-01-16","2014-08-08","N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide","2014-08-13"],["2S0","[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen\nta[a]phenanthren-17-yl] acetate","C30 H37 N O4","O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5;CN(C)c1ccc(cc1)[CH]2C[C]3(C)[CH](CC[C]3(OC(C)=O)C(C)=O)[CH]4CCC5=CC(=O)CCC5=C24;CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)c5ccc(cc5)N(C)C)C)OC(=O)C","InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1","ulipristal acetate","2014-06-19","2020-06-17","(11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate","2014-10-08"],["TP7","Coenzyme B","C11 H22 N O7 P S","C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O;CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O","InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1","7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE","1999-07-08","2021-03-01","(2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid",""],["2S1","2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide","C44 H40 Br Cl2 N3 O8","Brc1cc(OC)c(OC)cc1C(=O)NC(Cc3cccc(Oc2ccccc2)c3)C(O)CN(C(=O)CCN5C(=O)c4ccccc4C5=O)CCc6ccc(Cl)cc6Cl;COc1cc(Br)c(cc1OC)C(=O)N[CH](Cc2cccc(Oc3ccccc3)c2)[CH](O)CN(CCc4ccc(Cl)cc4Cl)C(=O)CCN5C(=O)c6ccccc6C5=O;COc1cc(c(cc1OC)Br)C(=O)NC(Cc2cccc(c2)Oc3ccccc3)C(CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O","InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1","","2014-01-16","2014-08-08","2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide","2014-08-13"],["T","THYMIDINE-5'-MONOPHOSPHATE","C10 H15 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h11,16-17H","","1999-07-08","2008-10-15","5'-thymidylic acid",""],["TP8","5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2-\nMETHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM","C15 H21 N4 O12 P3 S","CC1=NC(=N)[CH](C[n+]2c(C)c(CCO[P]([O-])(=O)O[P](O)([O-])=O)sc2C(O)=CCO[P](O)([O-])=O)C=N1;[H]N=C1C(C=NC(=N1)C)C[n+]2c(c(sc2C(=CCOP(=O)(O)[O-])O)CCOP(=O)([O-])OP(=O)(O)[O-])C","InChI=1S/C15H23N4O12P3S/c1-9-13(4-6-30-34(27,28)31-33(24,25)26)35-15(12(20)3-5-29-32(21,22)23)19(9)8-11-7-17-10(2)18-14(11)16/h3,7,11,16H,4-6,8H2,1-2H3,(H5-,20,21,22,23,24,25,26,27,28)/p-2/b12-3-,16-14+","PUTATIVE ENOL(ATE)-THDP REACTION INTERMEDIATE","2006-10-13","2020-06-17","[(Z)-3-hydroxy-3-[5-[2-[(hydroxy-oxido-phosphoryl)oxy-oxido-phosphoryl]oxyethyl]-3-[[(5S)-4-imino-2-methyl-5H-pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-2-yl]prop-2-enyl] hydrogen phosphate",""],["2S2","(2S)-2-(1H-indol-3-yl)hexanoic acid","C14 H17 N O2","O=C(O)C(c2c1ccccc1nc2)CCCC;CCCC[CH](C(O)=O)c1c[nH]c2ccccc12;CCCCC(c1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C14H17NO2/c1-2-3-6-11(14(16)17)12-9-15-13-8-5-4-7-10(12)13/h4-5,7-9,11,15H,2-3,6H2,1H3,(H,16,17)/t11-/m0/s1","","2008-02-12","2011-06-04","(2S)-2-(1H-indol-3-yl)hexanoic acid",""],["2S3","(2S)-2-(1H-indol-3-yl)pentanoic acid","C13 H15 N O2","O=C(O)C(c2c1ccccc1nc2)CCC;CCC[CH](C(O)=O)c1c[nH]c2ccccc12;CCCC(c1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C13H15NO2/c1-2-5-10(13(15)16)11-8-14-12-7-4-3-6-9(11)12/h3-4,6-8,10,14H,2,5H2,1H3,(H,15,16)/t10-/m0/s1","","2008-02-12","2011-06-04","(2S)-2-(1H-indol-3-yl)pentanoic acid",""],["TP9","(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE","C11 H18 N4 O7 P2 S","CC(NCc1cnc(C)nc1N)=C(S)CCO[P]([O-])(=O)O[P](O)([O-])=O;Cc1ncc(c(n1)N)CNC(=C(CCOP(=O)([O-])OP(=O)(O)[O-])S)C","InChI=1S/C11H20N4O7P2S/c1-7(13-5-9-6-14-8(2)15-11(9)12)10(25)3-4-21-24(19,20)22-23(16,17)18/h6,13,25H,3-5H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/p-2/b10-7-","","2006-10-20","2011-06-04","[[(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanyl-pent-3-enoxy]-oxido-phosphoryl] hydrogen phosphate",""],["TPA","TRANS-2-PHENYLCYCLOPROPYLAMINE","C9 H12 N","c1cccc(c1)C2CC2[NH3+];[NH3+][CH]1C[CH]1c2ccccc2;c1ccc(cc1)C2CC2[NH3+]","InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1","","1999-07-08","2011-06-04","(1S,2R)-2-phenylcyclopropanaminium",""],["2S4","2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide","C19 H23 N3 O3","O=C(NC(=[N@H])NCc1ccc(cc1)C)Cc2cc(OC)c(OC)cc2;COc1ccc(CC(=O)NC(=N)NCc2ccc(C)cc2)cc1OC;Cc1ccc(cc1)CNC(=N)NC(=O)Cc2ccc(c(c2)OC)OC","InChI=1S/C19H23N3O3/c1-13-4-6-14(7-5-13)12-21-19(20)22-18(23)11-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H3,20,21,22,23)","","2014-01-16","2014-08-08","2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide","2014-08-13"],["TPB","4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE","C20 H19 N5","N#Cc1ccc(cc1)Nc2nc(ccn2)Nc3c(cc(cc3C)C)C;Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1;Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C","InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)","","2001-12-19","2011-06-04","4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile",""],["2S6","4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile","C27 H34 N2 O2","N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4;O[C](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4ccccc4;c1ccc(cc1)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O","InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1","","2014-01-17","2014-02-28","4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile","2014-03-05"],["TPC","5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID","C9 H14 N3 O6 P S","O=P(O)(O)SCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CS[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O","InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-20-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2004-10-06","2011-06-04","2'-deoxy-5'-S-phosphono-5'-thiocytidine",""],["2S7","4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile","C26 H33 N3 O2","N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4;O[C](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4ccccn4;c1ccnc(c1)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O","InChI=1S/C26H33N3O2/c27-20-21-9-11-24(12-10-21)31-19-5-16-29-17-13-23(14-18-29)26(30,22-6-1-2-7-22)25-8-3-4-15-28-25/h3-4,8-12,15,22-23,30H,1-2,5-7,13-14,16-19H2/t26-/m0/s1","","2014-01-16","2014-02-28","4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile","2014-03-05"],["TPD","N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE","C9 H10 N2 O4 S4","O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N;N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2sccc2;c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N","InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)","","2001-03-28","2011-06-04","N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide",""],["2S8","(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid","C21 H30 N2 O4","O=C(OC(C)(C)C)NCCCCCCC(c2c1ccccc1nc2)C(=O)O;CC(C)(C)OC(=O)NCCCCCC[CH](C(O)=O)c1c[nH]c2ccccc12;CC(C)(C)OC(=O)NCCCCCCC(c1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1","","2008-02-08","2011-06-04","(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid",""],["2S9","4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile","C27 H33 F N2 O2","Fc1cccc(c1)C(O)(C3CCN(CCCOc2ccc(C#N)cc2)CC3)C4CCCC4;O[C](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4cccc(F)c4;c1cc(cc(c1)F)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O","InChI=1S/C27H33FN2O2/c28-25-8-3-7-24(19-25)27(31,22-5-1-2-6-22)23-13-16-30(17-14-23)15-4-18-32-26-11-9-21(20-29)10-12-26/h3,7-12,19,22-23,31H,1-2,4-6,13-18H2/t27-/m1/s1","","2014-01-16","2014-02-28","4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile","2014-03-05"],["TPE","3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER)","C18 H22 N2 O12 P2","O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3OC(=O)C;CC(=O)O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)Oc2ccccc2)N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)Oc3ccccc3)OC(=O)C","InChI=1S/C18H22N2O12P2/c1-11-9-20(18(23)19-17(11)22)16-8-14(29-12(2)21)15(30-16)10-28-33(24,25)32-34(26,27)31-13-6-4-3-5-7-13/h3-7,9,14-16H,8,10H2,1-2H3,(H,24,25)(H,26,27)(H,19,22,23)/t14-,15+,16+/m0/s1","","2000-03-09","2011-06-04","3'-O-acetyl-5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine",""],["TPF","2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL","C13 H12 F2 N6 O","Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3;OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F;c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O","InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2","FLUCONAZOLE; ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL; ELAZOR;\nTRIFLUCAN; BIOZOLENE","2000-11-03","2020-06-17","2-(2,4-difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol",""],["2SA","2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID","C14 H18 N5 O11 P","O=C(O)CC(C(=O)O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N[CH](CC(O)=O)C(O)=O)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)NC(CC(=O)O)C(=O)O","InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1","ADENYLOSUCCINIC ACID","2002-08-14","2021-03-01","(2S)-2-[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)amino]butanedioic acid (non-preferred name)",""],["TPG","2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE","C23 H35 N10 O18 P3","CN(C)C1=NC2=C(N(C)CN2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)C(=O)N1;CN1CN(C2=C1C(=O)NC(=N2)N(C)C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O","InChI=1S/C23H35N10O18P3/c1-30(2)23-27-17-11(19(39)29-23)31(3)7-33(17)21-15(37)13(35)9(49-21)5-47-53(42,43)51-54(44,45)50-52(40,41)46-4-8-12(34)14(36)20(48-8)32-6-25-10-16(32)26-22(24)28-18(10)38/h6,8-9,12-15,20-21,34-37H,4-5,7H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)(H,27,29,39)(H3,24,26,28,38)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1","","2004-10-01","2011-06-04","[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-dimethylamino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["2SB","(2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide","C15 H14 Br N3 O2","Brc2cc(/C=N/NC(=O)C(c1ccccc1)N)ccc2O;N[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2ccccc2;c1ccc(cc1)C(C(=O)NN=Cc2ccc(c(c2)Br)O)N","InChI=1S/C15H14BrN3O2/c16-12-8-10(6-7-13(12)20)9-18-19-15(21)14(17)11-4-2-1-3-5-11/h1-9,14,20H,17H2,(H,19,21)/b18-9+/t14-/m0/s1","","2010-09-22","2011-09-16","(2S)-2-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide",""],["2SC","(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol","C19 H17 N5 O","n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4;OCc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4;c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4","InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2","","2007-09-20","2011-06-04","{5-phenyl-7-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}methanol",""],["TPH","2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP","C9 H13 N O2","OC(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(O)O;c1ccc(cc1)CC(C(O)O)N","InChI=1/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1","","1999-07-08","2009-01-07","(2S)-2-amino-3-phenylpropane-1,1-diol",""],["2SE","4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide","C25 H35 N3 O4 S","O=S(=O)(N)c4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4;N[S](=O)(=O)c1ccc(OCCCN2CCC(CC2)[C](O)(C3CCCC3)c4ccccn4)cc1;c1ccnc(c1)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O","InChI=1S/C25H35N3O4S/c26-33(30,31)23-11-9-22(10-12-23)32-19-5-16-28-17-13-21(14-18-28)25(29,20-6-1-2-7-20)24-8-3-4-15-27-24/h3-4,8-12,15,20-21,29H,1-2,5-7,13-14,16-19H2,(H2,26,30,31)/t25-/m0/s1","","2014-01-16","2014-02-28","4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide","2014-03-05"],["TPI","4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID","C17 H17 F2 N2 O7 P","O=C(N)C(NC(=O)c1ccc2c(c1)ccc(c2)C(F)(F)P(=O)(O)O)CCC(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O;c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m0/s1","","1999-08-24","2011-06-04","N~2~-({6-[difluoro(phosphono)methyl]naphthalen-2-yl}carbonyl)-L-alpha-glutamine",""],["TPJ","(5R)-5-tert-butyl-L-proline","C9 H17 N O2","O=C(O)C1NC(C(C)(C)C)CC1;CC(C)(C)[CH]1CC[CH](N1)C(O)=O;CC(C)(C)C1CCC(N1)C(=O)O","InChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1","","2012-03-15","2024-09-27","(5R)-5-tert-butyl-L-proline",""],["2SF","4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile","C27 H35 N3 O","N#Cc4ccc(OCCCN1CCC(CC1)C(c2ccccc2)(N)C3CCCC3)cc4;N[C](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4ccccc4;c1ccc(cc1)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N","InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2/t27-/m1/s1","","2014-01-16","2014-02-28","4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile","2014-03-05"],["TPK","(1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol","C6 H13 N O2","C(O)(CO)C1CCCN1;OC[CH](O)[CH]1CCCN1;C1CC(NC1)C(CO)O","InChI=1S/C6H13NO2/c8-4-6(9)5-2-1-3-7-5/h5-9H,1-4H2/t5-,6-/m0/s1","","2012-03-15","2019-10-07","(1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol",""],["2SG","guanosine phosphorodithioate","C10 H16 N5 O6 P S2","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(O)(S)S;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[PH](O)(S)S)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(O)(S)S)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O6PS2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(21-9)1-20-22(19,23)24/h2-3,5-6,9,16-17,19,22-24H,1H2,(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","2014-09-22","2015-09-11","5'-O-[hydroxy(disulfanyl)-lambda~5~-phosphanyl]guanosine","2015-09-16"],["2SH","N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide","C21 H25 Cl F N5 O3","Fc1ccc(cc1Cl)C(NC(=O)N3Cc2nc(ncc2CC3)NC4CCOCC4)CO;OC[CH](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c4ccc(F)c(Cl)c4;c1cc(c(cc1C(CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F","InChI=1S/C21H25ClFN5O3/c22-16-9-13(1-2-17(16)23)19(12-29)27-21(30)28-6-3-14-10-24-20(26-18(14)11-28)25-15-4-7-31-8-5-15/h1-2,9-10,15,19,29H,3-8,11-12H2,(H,27,30)(H,24,25,26)/t19-/m1/s1","","2014-01-16","2014-05-16","N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide","2014-05-21"],["TPL","TRYPTOPHANOL","C11 H14 N2 O","OCC(N)Cc2c1ccccc1nc2;N[CH](CO)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(CO)N","InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1","2-AMINO-3-(1H-INDOL-3-YL)-PROPAN-1-OL","2000-02-08","2024-09-27","(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol",""],["TPM","2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM","C12 H18 N3","c1(ccc(N)cc1)CNC2=[NH+]CCCC2;Nc1ccc(CNC2=[NH+]CCCC2)cc1;c1cc(ccc1CNC2=[NH+]CCCC2)N","InChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1","","2000-06-16","2011-06-04","6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium",""],["2SI","2-O-SULFO-A-L-IDURONIC ACID","C6 H10 O10 S","O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O","InChI=1/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1/f/h9,12H","","2000-04-05","2023-09-18","2-O-sulfo-alpha-L-idopyranuronic acid",""],["TPN","2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE","C11 H17 N4 O5","O=C(N(CC(=O)O)CC[NH3+])CN1C=C(C(=O)NC1=O)C;CC1=CN(CC(=O)N(CC[NH3+])CC(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O","InChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1","","1999-07-08","2024-09-27","2-{(carboxymethyl)[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]amino}ethanaminium",""],["2SJ","N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide","C21 H23 N O6","O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O;COc1cc2CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)O;CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC","InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1","Colchiceine","2014-01-21","2020-06-17","N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide","2014-01-29"],["TPO","PHOSPHOTHREONINE","C4 H10 N O6 P","O=P(O)(O)OC(C(N)C(=O)O)C;C[CH](O[P](O)(O)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OP(=O)(O)O","InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1","PHOSPHONOTHREONINE","1999-07-08","2024-09-27","O-phosphono-L-threonine",""],["2SK","(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL","C13 H19 N O3 S","OC2C(O)C(NCc1ccccc1)C(SC)C2O;CS[CH]1[CH](O)[CH](O)[CH](O)[CH]1NCc2ccccc2;CSC1C(C(C(C1O)O)O)NCc2ccccc2","InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1","","2006-01-24","2011-06-04","(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol",""],["2SL","(2S)-pentan-2-ol","C5 H12 O","OC(C)CCC;CCC[CH](C)O;CCCC(C)O","InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","(S)-2-pentanol","2008-04-13","2020-08-28","(2S)-pentan-2-ol","2020-09-02"],["TPP","THIAMINE DIPHOSPHATE","C12 H19 N4 O7 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N;Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1","","1999-07-08","2011-06-04","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["TPQ","5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE","C9 H9 N O5","O=C1C(=CC(=O)C(O)=C1)CC(C(=O)O)N;N[CH](CC1=CC(=O)C(=CC1=O)O)C(O)=O;C1=C(C(=O)C=C(C1=O)O)CC(C(=O)O)N","InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1","5-(2-CARBOXY-2-AMINOETHYL)-4-HYDROXY-1,2-BENZOQUINONE; 2,4,5-TRIHYDROXYPHENYLALANINE QUINONE; TOPA QUINONE","1999-07-08","2024-09-27","3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-L-alanine",""],["2SM","methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate","C14 H14 N4 O5 S","O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2C(=O)OC;COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nccc(C)n2;Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC","InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)","","2008-10-06","2011-06-04","methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate",""],["TPR","TOSYL-D-PROLINE","C12 H15 N O4 S","O=C(O)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2;Cc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(O)=O;Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O","InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1","","2000-06-13","2011-06-04","1-[(4-methylphenyl)sulfonyl]-D-proline",""],["2SN","7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine","C19 H22 N4","CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1;CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N","InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)","","2015-08-20","2015-10-23","7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine","2015-10-28"],["2SO","3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine","C24 H38 N3 O4","O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO;N[CH](Cc1c[n+](CC[CH](O)CO)cn1CCCCCCCCc2ccccc2)C(O)=O;c1ccc(cc1)CCCCCCCCn2c[n+](cc2CC(C(=O)O)N)CCC(CO)O","InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1","","2014-01-23","2024-09-27","3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine","2014-01-29"],["TPS","THIAMIN PHOSPHATE","C12 H18 N4 O4 P S","O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N;Cc1ncc(C[n+]2csc(CCO[P](O)(O)=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O","InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1","","1999-07-08","2011-06-04","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium",""],["2SP","(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATE","C39 H77 O8 P","O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1/f/h42-43H","","2003-06-27","2009-09-09","(2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate",""],["TPT","2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride","C15 H11 Cl N3 Pt","Cl[Pt+]35n1ccccc1c4cccc(c2ccccn23)n45;Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25;C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl","InChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h1-11H;1H;/q;;+2/p-1","","1999-10-07","2011-09-23","chloro(2,2':6',2''-terpyridine-kappa~3~N~1~,N~1'~,N~1''~)platinum(1+)",""],["TPU","2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-METHYL-1H-1,2,3-TRIAZOL-4-YL}ETHYL TRIHYDROGEN DIPHOSPHATE","C11 H18 N6 O7 P2","O=P(O)(O)OP(=O)(OCCc1nnn(c1C)Cc2cnc(nc2N)C)O;Cc1ncc(Cn2nnc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1;Cc1c(nnn1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C11H18N6O7P2/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)15-16-17(7)6-9-5-13-8(2)14-11(9)12/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)","","2009-10-16","2011-06-04","2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate",""],["2SQ","(2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid","C26 H28 F N O5","O=C(O)C(OC(C)(C)C)C=4N(C(=O)c1ccccc1C=4c3cc(F)c2OCCCc2c3C)C;CN1C(=O)c2ccccc2C(=C1[CH](OC(C)(C)C)C(O)=O)c3cc(F)c4OCCCc4c3C;Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)C(C(=O)O)OC(C)(C)C","InChI=1S/C26H28FNO5/c1-14-15-11-8-12-32-22(15)19(27)13-18(14)20-16-9-6-7-10-17(16)24(29)28(5)21(20)23(25(30)31)33-26(2,3)4/h6-7,9-10,13,23H,8,11-12H2,1-5H3,(H,30,31)/t23-/m0/s1","","2014-01-24","2014-06-06","(2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid","2014-06-11"],["TPV","N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE","C31 H33 F3 N2 O5 S","FC(F)(F)c1ccc(nc1)S(=O)(=O)Nc2cccc(c2)C(C=3C(=O)OC(CCC)(CC=3O)CCc4ccccc4)CC;CCC[C]1(CCc2ccccc2)CC(=C([CH](CC)c3cccc(N[S](=O)(=O)c4ccc(cn4)C(F)(F)F)c3)C(=O)O1)O;CCCC1(CC(=C(C(=O)O1)C(CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4","InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1","TIPRANAVIR","1999-10-06","2021-03-01","N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide",""],["2SR","(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol","C23 H26 O5","O3c2c(c1ccc(OC)c(OC)c1)cc(cc2C(O)=CC3C4CCOCC4)C;COc1ccc(cc1OC)c2cc(C)cc3C(=C[CH](Oc23)C4CCOCC4)O;Cc1cc(c2c(c1)C(=CC(O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC","InChI=1S/C23H26O5/c1-14-10-17(16-4-5-20(25-2)22(12-16)26-3)23-18(11-14)19(24)13-21(28-23)15-6-8-27-9-7-15/h4-5,10-13,15,21,24H,6-9H2,1-3H3/t21-/m0/s1","","2014-01-24","2015-01-16","(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol","2015-01-21"],["TPW","2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE","C13 H19 N3 O7 P2 S","O=P(O)(O)OP(=O)(O)OCCc1scc(c1C)Cc2c(nc(nc2)C)N;Cc1ncc(Cc2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1;Cc1c(csc1CCOP(=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C","InChI=1S/C13H19N3O7P2S/c1-8-11(5-10-6-15-9(2)16-13(10)14)7-26-12(8)3-4-22-25(20,21)23-24(17,18)19/h6-7H,3-5H2,1-2H3,(H,20,21)(H2,14,15,16)(H2,17,18,19)","3-DEAZA-THDP","2007-02-26","2020-06-17","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate",""],["2SS","(2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C29 H34 N2 O7","O=C(NCC1CCC1)c2ccccc2CN(C/C=C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;OC(=O)CC[CH]1COc2c(O1)ccc(CN(CC=C)Cc3ccccc3C(=O)NCC4CCC4)c2C(O)=O;C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C29H34N2O7/c1-2-14-31(16-20-8-3-4-9-23(20)28(34)30-15-19-6-5-7-19)17-21-10-12-24-27(26(21)29(35)36)37-18-22(38-24)11-13-25(32)33/h2-4,8-10,12,19,22H,1,5-7,11,13-18H2,(H,30,34)(H,32,33)(H,35,36)/t22-/m0/s1","","2013-11-11","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclobutylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["2ST","5-METHYL-2'-SE-METHYL-2'-SELENOURIDINE 5'-(DIHYDROGEN PHOSPHATE)","C11 H17 N2 O8 P Se","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2[Se]C)COP(=O)(O)O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)[Se]C","InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8-,10-/m1/s1","","2006-06-16","2011-06-04","5-methyl-2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)",""],["TPX","(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID","C14 H19 N O5 S","O=S(=O)(c1ccc(cc1)C)NCC(C(=O)O)C(C=O)CC;CC[CH](C=O)[CH](CN[S](=O)(=O)c1ccc(C)cc1)C(O)=O;CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)C)C(=O)O","InChI=1S/C14H19NO5S/c1-3-11(9-16)13(14(17)18)8-15-21(19,20)12-6-4-10(2)5-7-12/h4-7,9,11,13,15H,3,8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1","","1999-07-08","2024-09-27","(2S,3S)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid",""],["2SU","alpha-(fluoromethyl)-D-tryptophan","C12 H13 F N2 O2","O=C(O)C(N)(CF)Cc2c1ccccc1nc2;N[C](CF)(Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(CF)(C(=O)O)N","InChI=1S/C12H13FN2O2/c13-7-12(14,11(16)17)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,15H,5,7,14H2,(H,16,17)/t12-/m0/s1","","2014-01-24","2014-10-24","alpha-(fluoromethyl)-D-tryptophan","2014-10-29"],["TPY","(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID","C13 H16 N2 O7 S","O=S(=O)(NCC(C(=O)O)C(C=O)CC)c1ccc([N+]([O-])=O)cc1;CC[CH](C=O)[CH](CN[S](=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O;CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O","InChI=1S/C13H16N2O7S/c1-2-9(8-16)12(13(17)18)7-14-23(21,22)11-5-3-10(4-6-11)15(19)20/h3-6,8-9,12,14H,2,7H2,1H3,(H,17,18)/t9-,12-/m1/s1","","2000-06-09","2024-09-27","(2S,3S)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid",""],["2SW","[(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid","C28 H35 Cl2 N O5 S","O=C(O)CC3(C(=O)N(C(CS(=O)(=O)C(C)(C)C)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3)C;CC[CH](C[S](=O)(=O)C(C)(C)C)N1[CH]([CH](C[C](C)(CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3;CCC(CS(=O)(=O)C(C)(C)C)N1C(C(CC(C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1","","2014-01-25","2014-02-14","[(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid","2014-02-19"],["TPZ","O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine","C9 H18 N O7 P S","O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCS;C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCS)C(O)=O;CC(C(C(=O)O)NC(=O)CCCCS)OP(=O)(O)O","InChI=1S/C9H18NO7PS/c1-6(17-18(14,15)16)8(9(12)13)10-7(11)4-2-3-5-19/h6,8,19H,2-5H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16)/t6-,8+/m1/s1","","2010-03-10","2011-06-04","O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine",""],["TQ0","(2,4-dimethylphenyl)(4-hydroxy-3-methoxy-5-nitrophenyl)methanone","C16 H15 N O5","COc1cc(cc([N+]([O-])=O)c1O)C(=O)c1ccc(C)cc1C;COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)cc2C;Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-]","InChI=1S/C16H15NO5/c1-9-4-5-12(10(2)6-9)15(18)11-7-13(17(20)21)16(19)14(8-11)22-3/h4-8,19H,1-3H3","","2023-01-12","2026-04-05","(2,4-dimethylphenyl)(4-hydroxy-3-methoxy-5-nitrophenyl)methanone","2024-01-17"],["2SX","(5-bromo-1H-indol-3-yl)acetic acid","C10 H8 Br N O2","O=C(O)Cc2c1cc(Br)ccc1nc2;OC(=O)Cc1c[nH]c2ccc(Br)cc12;c1cc2c(cc1Br)c(c[nH]2)CC(=O)O","InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)","","2014-01-27","2014-02-28","(5-bromo-1H-indol-3-yl)acetic acid","2014-03-05"],["TQ1","5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE","C15 H12 N4 O2","O=C1N2c4c(C(=CC2=NN1)CO)ccc(c3cccn3)c4;OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]ccc4;c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO","InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)","","2011-03-30","2012-03-09","5-(hydroxymethyl)-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one",""],["2SY","[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid","C17 H14 Cl N O2","O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(Cl)c3;OC(=O)Cc1cn(Cc2cccc(Cl)c2)c3ccccc13;c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O","InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21)","","2014-01-27","2014-02-28","[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid","2014-03-05"],["2SZ","6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide","C32 H29 N7 O2","O=C(NO)c1cc(c(nc1)n2c3ccccc3nc2)c6ccc(C#Cc4ccc(nc4)CN5CCN(CC5)C)cc6;CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6ccccc56)C(=O)NO;CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO","InChI=1S/C32H29N7O2/c1-37-14-16-38(17-15-37)21-27-13-10-24(19-33-27)7-6-23-8-11-25(12-9-23)28-18-26(32(40)36-41)20-34-31(28)39-22-35-29-4-2-3-5-30(29)39/h2-5,8-13,18-20,22,41H,14-17,21H2,1H3,(H,36,40)","","2014-01-27","2014-09-19","6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide","2014-09-24"],["TQ2","(2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid","C24 H27 N O3","O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c3ccc(c(c3)C)C;Cc1ccc(cc1C)c2c3ccccc3nc(C)c2[CH](OC(C)(C)C)C(O)=O;Cc1ccc(cc1C)c2c3ccccc3nc(c2C(C(=O)O)OC(C)(C)C)C","InChI=1S/C24H27NO3/c1-14-11-12-17(13-15(14)2)21-18-9-7-8-10-19(18)25-16(3)20(21)22(23(26)27)28-24(4,5)6/h7-13,22H,1-6H3,(H,26,27)/t22-/m0/s1","","2012-03-08","2012-04-20","(2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid",""],["2T0","2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate","C11 H11 N2 O4 P S","O=P(O)(O)Oc3ccc2c(c1nc(sc1CC2)N)c3;Nc1sc2CCc3ccc(O[P](O)(O)=O)cc3c2n1;c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2","InChI=1S/C11H11N2O4PS/c12-11-13-10-8-5-7(17-18(14,15)16)3-1-6(8)2-4-9(10)19-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)","","2009-05-11","2011-06-04","2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate",""],["TQ3","5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE","C14 H12 N4 S","n3c2c(c(Sc1ccccc1)ccc2)c(nc3N)N;Nc1nc(N)c2c(Sc3ccccc3)cccc2n1;c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N","InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)","","2001-03-23","2011-06-04","5-(phenylsulfanyl)quinazoline-2,4-diamine",""],["TQ4","5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE","C15 H14 N4 S","n3c2c(c(Sc1ccc(cc1)C)ccc2)c(nc3N)N;Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1;Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N","InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)","","2001-03-23","2011-06-04","5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine",""],["2T1","2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid","C20 H19 F3 N2 O3","O=C(Nc1ccccc1C(=O)O)N3CCC(c2ccccc2C(F)(F)F)CC3;OC(=O)c1ccccc1NC(=O)N2CCC(CC2)c3ccccc3C(F)(F)F;c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F","InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)","","2009-01-05","2011-06-04","2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid",""],["2T2","[1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid","C19 H15 N O2","O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(C#C)c3;OC(=O)Cc1cn(Cc2cccc(c2)C#C)c3ccccc13;C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O","InChI=1S/C19H15NO2/c1-2-14-6-5-7-15(10-14)12-20-13-16(11-19(21)22)17-8-3-4-9-18(17)20/h1,3-10,13H,11-12H2,(H,21,22)","","2014-01-27","2014-02-28","[1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid","2014-03-05"],["TQ5","5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE","C18 H20 N4 S","n3c2c(c(Sc1ccc(cc1)C(C)(C)C)ccc2)c(nc3N)N;CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1;CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N","InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)","","2001-03-23","2011-06-04","5-[(4-tert-butylphenyl)sulfanyl]quinazoline-2,4-diamine",""],["TQ6","5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE","C18 H19 N5 O S","n1c(N)c4c(nc1N)cccc4Sc3ccc(N2CCOCC2)cc3;Nc1nc(N)c2c(Sc3ccc(cc3)N4CCOCC4)cccc2n1;c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N","InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)","","2001-03-23","2011-06-04","5-[(4-morpholin-4-ylphenyl)sulfanyl]quinazoline-2,4-diamine",""],["2T3","(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID","C10 H11 N O5","O=C(Nc1ccccc1)C(O)C(O)C(=O)O;O[CH]([CH](O)C(=O)Nc1ccccc1)C(O)=O;c1ccc(cc1)NC(=O)C(C(C(=O)O)O)O","InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1","","2007-03-14","2011-06-04","(2R,3R)-2,3-dihydroxy-4-oxo-4-(phenylamino)butanoic acid",""],["TQ7","5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide","C19 H16 Br N O S","c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)c3;CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3;CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br","InChI=1S/C19H16BrNOS/c1-21(19(22)16-12-13-17(20)23-16)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3","","2020-03-26","2020-08-28","5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide","2020-09-02"],["2T4","{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid","C11 H11 N2 O4 P S","O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N;Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1;c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2","InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)","","2009-10-22","2011-06-04","{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid",""],["TQ8","N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide","C17 H18 Cl N O3 S","Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl;Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl","InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1","CAS329306","2010-11-17","2024-09-27","N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide",""],["2T5","[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid","C11 H10 N O4 P S","O=P(O)(O)COc1c2c(ccc1)Cc3scnc23;O[P](O)(=O)COc1cccc2Cc3scnc3c12;c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2","InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15)","","2009-10-22","2011-06-04","[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid",""],["TQ9","5-CHLORO-4-OXOPENTANOIC ACID","C5 H7 Cl O3","OC(=O)CCC(=O)CCl;C(CC(=O)O)C(=O)CCl","InChI=1S/C5H7ClO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)","","2010-11-17","2024-09-27","5-chloro-4-oxo-pentanoic acid",""],["2T6","{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid","C12 H11 N2 O5 P S","O=P(O)(O)COc1c2c(c(C(=O)N)cc1)Cc3scnc23;NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23;c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O","InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18)","","2009-10-22","2011-06-04","{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid",""],["TQA","N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide","C33 H28 N6 O3 S","c6cc5C(=O)N(Cc4ccccc4C(Nc1cc(ccc1)c2nc(SC)nc2c3ccnc(c3)NC(C)=O)=O)Cc5cc6;CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4ccccc4CN5Cc6ccccc6C5=O)c3;CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O","InChI=1S/C33H28N6O3S/c1-20(40)35-28-17-22(14-15-34-28)30-29(37-33(38-30)43-2)21-10-7-11-25(16-21)36-31(41)26-12-5-3-8-23(26)18-39-19-24-9-4-6-13-27(24)32(39)42/h3-17H,18-19H2,1-2H3,(H,36,41)(H,37,38)(H,34,35,40)","","2020-03-26","2021-03-26","N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide","2021-03-31"],["2T7","[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid","C18 H16 N2 O5","[O-][N+](=O)c1cc(c(OC)cc1)Cn3c2ccccc2c(c3)CC(=O)O;COc1ccc(cc1Cn2cc(CC(O)=O)c3ccccc23)[N+]([O-])=O;COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-]","InChI=1S/C18H16N2O5/c1-25-17-7-6-14(20(23)24)8-13(17)11-19-10-12(9-18(21)22)15-4-2-3-5-16(15)19/h2-8,10H,9,11H2,1H3,(H,21,22)","","2014-01-27","2014-02-28","[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid","2014-03-05"],["2T8","carbonyl(tetrachloro)oxidoiridium","C Cl4 Ir O2","[O-][Ir](Cl)(Cl)(Cl)(Cl)C#[O+];[O-][Ir](Cl)(Cl)(Cl)(Cl)C#[O+];C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl","InChI=1S/CO.4ClH.Ir.O/c1-2;;;;;;/h;4*1H;;/q+1;;;;;+4;-1/p-4","","2014-01-27","2014-09-12","carbonyl(tetrachloro)oxidoiridium","2014-09-17"],["TQB","7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one","C16 H14 Cl N3 O","CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13;CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3","InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3","","2021-01-12","2021-04-16","7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one","2021-04-21"],["TQC","(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole","C10 H12 N4 O","Cn1ccnc1c1nc(on1)C1CCC1;Cn1ccnc1c2noc(n2)C3CCC3;Cn1ccnc1c2nc(on2)C3CCC3","InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3","","2023-08-28","2023-11-24","(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole","2023-11-29"],["2T9","[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid","C24 H22 N4 O5","[O-][N+](=O)c1cc(c(OC)cc1)Cn3c2cc(ccc2c(c3)CC(=O)O)c4cc(N)cc(N)c4;COc1ccc(cc1Cn2cc(CC(O)=O)c3ccc(cc23)c4cc(N)cc(N)c4)[N+]([O-])=O;COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-]","InChI=1S/C24H22N4O5/c1-33-23-5-3-20(28(31)32)8-17(23)13-27-12-16(10-24(29)30)21-4-2-14(9-22(21)27)15-6-18(25)11-19(26)7-15/h2-9,11-12H,10,13,25-26H2,1H3,(H,29,30)","","2014-01-27","2014-02-28","[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid","2014-03-05"],["2TA","N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide","C27 H36 N6 O3 S","O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCN3CCCC3)cc4;Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C;Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4","InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)","Fedratinib","2014-01-28","2021-03-01","N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide","2014-02-26"],["TQD","(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine","C19 H29 N5 O3","COc1cc(cc(OC)c1OC)N(C)C[CH]2CCC3=C(C2)C(=N[CH](N)N3)N;CN(CC1CCC2=C(C1)C(=NC(N2)N)N)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H29N5O3/c1-24(12-8-15(25-2)17(27-4)16(9-12)26-3)10-11-5-6-14-13(7-11)18(20)23-19(21)22-14/h8-9,11,19,22H,5-7,10,21H2,1-4H3,(H2,20,23)/t11-,19+/m0/s1","","2004-01-19","2011-06-04","(2R)-6-[[methyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine",""],["2TB","1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE","C6 H16 N2 O3","OC1C([NH3+])CC(C(O)C1O)[NH3+];[NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1[NH3+])O)O)O)[NH3+]","InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6-","","1999-07-08","2011-06-04","(1R,3S,4R,5r,6S)-4,5,6-trihydroxycyclohexane-1,3-diaminium",""],["TQE","4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one","C7 H12 N4 O2","CCOC1=NC(=NC(=O)N1)N(C)C;CCOC1=NC(=NC(=O)N1)N(C)C","InChI=1S/C7H12N4O2/c1-4-13-7-9-5(11(2)3)8-6(12)10-7/h4H2,1-3H3,(H,8,9,10,12)","","2021-01-12","2021-04-16","4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one","2021-04-21"],["2TC","(4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE","C22 H21 Cl N2 O7","O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C#N)=C(O)C4N(C)C;CN(C)[CH]1[CH]2C[CH](CC(=O)[C]2(O)C(=O)C(=C1O)C#N)[C]3(C)OC(=O)c4c(O)ccc(Cl)c34;CC1(c2c(ccc(c2C(=O)O1)O)Cl)C3CC4C(C(=C(C(=O)C4(C(=O)C3)O)C#N)O)N(C)C","InChI=1S/C22H21ClN2O7/c1-21(16-12(23)4-5-13(26)15(16)20(30)32-21)9-6-11-17(25(2)3)18(28)10(8-24)19(29)22(11,31)14(27)7-9/h4-5,9,11,17,26,28,31H,6-7H2,1-3H3/t9-,11-,17-,21-,22-/m0/s1","7-CHLOR-2-CYANO-ISO-TETRACYCLINE","2010-02-18","2021-03-01","(4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile",""],["TQF","[(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C29 H30 N2 O3","CCN1CC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCN1CC(C1)Oc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36;CCN1CC(C1)Oc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C29H30N2O3/c1-2-30-18-25(19-30)34-24-11-8-20(9-12-24)27-26-13-10-23(32)16-22(26)17-29(14-15-29)31(27)28(33)21-6-4-3-5-7-21/h3-13,16,25,27,32H,2,14-15,17-19H2,1H3/t27-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["TQG","N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid","C14 H15 N O8","O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O;OC(=O)CC[CH](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O;c1cc(cc(c1)OCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1","","2020-03-26","2021-07-30","N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid","2021-08-04"],["2TD","tridec-12-en-2-one","C13 H24 O","O=C(CCCCCCCCCC=C)C;CC(=O)CCCCCCCCCC=C;CC(=O)CCCCCCCCCC=C","InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3","","2008-11-05","2012-04-27","tridec-12-en-2-one",""],["TQH","~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine","C12 H12 N4 O S","Cc1oc(CNc2[nH]c(nn2)c3sccc3)cc1;Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3","InChI=1S/C12H12N4OS/c1-8-4-5-9(17-8)7-13-12-14-11(15-16-12)10-3-2-6-18-10/h2-6H,7H2,1H3,(H2,13,14,15,16)","","2021-01-12","2022-02-25","~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine","2022-03-02"],["2TE","(2R)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol","C24 H25 F3 N4 O3 S","O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(CC#CC)C(F)(F)F)CC3;CC#CC[C](O)(c1ccc(cc1)N2CCN(C[CH]2C#CC)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F;CC#CCC(c1ccc(cc1)N2CCN(CC2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O","InChI=1S/C24H25F3N4O3S/c1-3-5-13-23(32,24(25,26)27)18-7-9-19(10-8-18)31-15-14-30(17-20(31)6-4-2)35(33,34)21-11-12-22(28)29-16-21/h7-12,16,20,32H,13-15,17H2,1-2H3,(H2,28,29)/t20-,23+/m0/s1","","2014-01-29","2014-10-03","(2R)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol","2014-10-08"],["2TF","(2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol","C21 H23 F3 N4 O4 S","O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)CO)CC3;CC#C[CH]1CN(CCN1c2ccc(cc2)[C](O)(CO)C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3;CC#CC1CN(CCN1c2ccc(cc2)C(CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N","InChI=1S/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/m0/s1","","2014-01-29","2014-07-25","(2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol","2014-07-30"],["TQI","N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN","C18 H14 Cl F3 N2 O4 S","OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(Cl)c(c3)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl","InChI=1S/C18H14ClF3N2O4S/c19-14-6-5-11(8-13(14)18(20,21)22)29(27,28)24-16(17(25)26)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,16,23-24H,7H2,(H,25,26)/t16-/m0/s1","","2011-01-20","2011-06-04","(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid",""],["TQJ","N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE","C19 H25 Br N6 O4 S","ON(C=O)[CH](CCCc1ncccn1)C[S](=O)(=O)N2CCN(CC2)c3ccc(Br)cn3;c1cnc(nc1)CCCC(CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O","InChI=1S/C19H25BrN6O4S/c20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t17-/m0/s1","","2011-01-21","2011-06-04","N-[(2S)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-N-hydroxy-methanamide",""],["2TG","5-{[(3S)-3-(prop-1-yn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine","C19 H20 F3 N5 O3 S2","O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)S(=O)(=N)C(F)(F)F)CC3;CC#C[CH]1CN(CCN1c2ccc(cc2)[S](=N)(=O)C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3;CC#CC1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N","InChI=1S/C19H20F3N5O3S2/c1-2-3-15-13-26(32(29,30)17-8-9-18(23)25-12-17)10-11-27(15)14-4-6-16(7-5-14)31(24,28)19(20,21)22/h4-9,12,15,24H,10-11,13H2,1H3,(H2,23,25)/t15-,31-/m0/s1","","2014-01-29","2014-07-25","5-{[(3S)-3-(prop-1-yn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine","2014-07-30"],["TQK","2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde","C17 H14 N2 O","Cc1cc(ccc1C=O)n2ccnc2c3ccccc3;Cc1cc(ccc1C=O)n2ccnc2c3ccccc3","InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3","","2021-01-12","2024-09-27","2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde","2021-06-16"],["2TH","2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","C16 H13 Cl N2 O2 S","Clc2sc1nc(cc1c2)C(=O)NC4Cc3ccccc3C4O;O[CH]1[CH](Cc2ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3;c1ccc2c(c1)CC(C2O)NC(=O)c3cc4cc(sc4[nH]3)Cl","InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1","","2006-04-07","2011-06-04","2-chloro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide",""],["2TI","(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","C14 H26 N2 O11 P2","CCNC(=O)[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O;CCNC(=O)C(CCP(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C","InChI=1S/C14H26N2O11P2/c1-3-15-13(20)11(16-9(2)17)6-7-28(23,27-29(24,25)26)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,24,25,26)/t10-,11-,28+/m1/s1","","2020-03-03","2020-08-07","(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","2020-08-12"],["TQL","4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol","C12 H10 N2 O3","ON=C(c1cccnc1)c2ccc(O)cc2O;c1cc(cnc1)C(=NO)c2ccc(cc2O)O","InChI=1S/C12H10N2O3/c15-9-3-4-10(11(16)6-9)12(14-17)8-2-1-5-13-7-8/h1-7,15-17H/b14-12+","","2015-11-13","2016-11-18","4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol","2016-11-23"],["TQM","{5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid","C22 H13 F O3 S","c31cc(ccc1oc(C#Cc2cccs2)c3CC(=O)O)c4cccc(c4)F;OC(=O)Cc1c(oc2ccc(cc12)c3cccc(F)c3)C#Cc4sccc4;c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O","InChI=1S/C22H13FO3S/c23-16-4-1-3-14(11-16)15-6-8-20-18(12-15)19(13-22(24)25)21(26-20)9-7-17-5-2-10-27-17/h1-6,8,10-12H,13H2,(H,24,25)","","2020-03-30","2021-03-26","{5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid","2021-03-31"],["2TJ","4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-N-methylbenzenesulfonamide","C19 H23 N5 O4 S2","O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)S(=O)(=O)NC)CC3;CN[S](=O)(=O)c1ccc(cc1)N2CCN(C[CH]2C#CC)[S](=O)(=O)c3ccc(N)nc3;CC#CC1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N","InChI=1S/C19H23N5O4S2/c1-3-4-16-14-23(30(27,28)18-9-10-19(20)22-13-18)11-12-24(16)15-5-7-17(8-6-15)29(25,26)21-2/h5-10,13,16,21H,11-12,14H2,1-2H3,(H2,20,22)/t16-/m0/s1","","2014-01-29","2014-07-25","4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-N-methylbenzenesulfonamide","2014-07-30"],["TQN","[(3~{R})-1-[[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate","C110 H208 N2 O26 P2","CCCCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)N[CH]1[CH](O[CH](CO[CH]2O[CH](CO)[CH](O[P](O)(O)=O)[CH](OC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P](O)(O)=O;CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O","InChI=1S/C110H208N2O26P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-98(117)130-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(135-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(134-110(103)138-140(126,127)128)89-129-109-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)131-99(118)81-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)133-109)137-139(123,124)125)136-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)132-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,123,124,125)(H2,126,127,128)/t90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1","","2021-01-11","2021-04-30","[(3~{R})-1-[[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate","2021-05-05"],["2TK","2-(2-bromophenoxy)-5-hexylphenol","C18 H21 Br O2","Brc2ccccc2Oc1ccc(cc1O)CCCCCC;CCCCCCc1ccc(Oc2ccccc2Br)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br","InChI=1S/C18H21BrO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3","","2014-01-29","2014-04-25","2-(2-bromophenoxy)-5-hexylphenol","2014-04-30"],["TQO","[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid","C20 H28 O4","O=C(O)CC1CCC2(CC1Cc1ccccc1)OCC(C)(C)CO2;CC1(C)COC2(CC[CH](CC(O)=O)[CH](Cc3ccccc3)C2)OC1;CC1(COC2(CCC(C(C2)Cc3ccccc3)CC(=O)O)OC1)C","InChI=1S/C20H28O4/c1-19(2)13-23-20(24-14-19)9-8-16(11-18(21)22)17(12-20)10-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,21,22)/t16-,17+/m0/s1","","2023-05-09","2023-06-09","[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid","2023-06-14"],["2TL","D-allothreonine","C4 H9 N O3","O=C(O)C(N)C(O)C;C[CH](O)[CH](N)C(O)=O;CC(C(C(=O)O)N)O","InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1","","2008-06-03","2024-09-27","D-allothreonine",""],["2TM","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine","C10 H18 N3 O13 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O","InChI=1S/C10H18N3O13P3/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H2,11,12,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1","CMPcPP","2014-01-30","2020-06-17","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine","2014-05-07"],["TQP","(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C24 H35 N4 O19 P3","O=P(OC2OC(C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O)[CH]1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)C)O)O","InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)18(20(31)12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20-,21-,23-/m1/s1","","2009-01-12","2011-06-04","(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["2TN","2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE","C14 H22 N2 O3","O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1;CC(C)NC[CH](O)COc1ccc(CC(N)=O)cc1;CC(C)NCC(COc1ccc(cc1)CC(=O)N)O","InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1","ATENOLOL","2006-11-16","2021-03-01","2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide",""],["TQQ","(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID","C11 H11 N3 O3","O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc2;N[CH](Cc1c[nH]c2C(=O)C(=N)C=Cc12)C(O)=O;[H]N=C1C=Cc2c(c[nH]c2C1=O)CC(C(=O)O)N","InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1","3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE","2005-08-10","2024-09-27","3-[(6Z)-6-imino-7-oxo-6,7-dihydro-1H-indol-3-yl]-L-alanine",""],["TQR","4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one","C9 H13 N3 O4 S","NC1=NC(=O)N(C=C1)[CH]2S[CH](CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O","InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1","","2023-04-29","2024-04-19","4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one","2024-04-24"],["2TO","2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol","C22 H20 F6 N6 O3 S","O=S(=O)(c1ccc(nc1)N)N4CCN(c2ncc(cc2c3cccnc3)C(O)(C(F)(F)F)C(F)(F)F)CC4;Nc1ccc(cn1)[S](=O)(=O)N2CCN(CC2)c3ncc(cc3c4cccnc4)C(O)(C(F)(F)F)C(F)(F)F;c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H20F6N6O3S/c23-21(24,25)20(35,22(26,27)28)15-10-17(14-2-1-5-30-11-14)19(32-12-15)33-6-8-34(9-7-33)38(36,37)16-3-4-18(29)31-13-16/h1-5,10-13,35H,6-9H2,(H2,29,31)","","2014-01-30","2014-07-18","2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol","2014-07-23"],["2TP","2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE","C12 H19 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)NO;Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(NO)n1;Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C12H18N4O8P2S/c1-8-11(3-4-23-26(21,22)24-25(18,19)20)27-7-16(8)6-10-5-13-9(2)14-12(10)15-17/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21,22)/p+1","","2005-10-12","2011-06-04","3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["TQS","(4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol","C12 H17 N3 O2","N2(C13C(CNC1)CC2c4c(C3O)c(no4)C)C;CN1[CH]2C[CH]3CNC[C]13[CH](O)c4c(C)noc24;Cc1c2c(on1)C3CC4CNCC4(C2O)N3C","InChI=1S/C12H17N3O2/c1-6-9-10(17-14-6)8-3-7-4-13-5-12(7,11(9)16)15(8)2/h7-8,11,13,16H,3-5H2,1-2H3/t7-,8+,11+,12-/m0/s1","","2020-03-30","2020-04-03","(4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol","2020-04-08"],["2TQ","(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","C7 H9 N O3","O=C(O)C2N1C(=O)CC1CC2;OC(=O)[CH]1CC[CH]2CC(=O)N12;C1CC(N2C1CC2=O)C(=O)O","InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1","","2014-01-30","2014-03-28","(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","2014-04-02"],["TQT","6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE","C17 H33 N5","NC2NC1CCC(CC1C(N)N2)CN4C3CCCCC3CC4;N[CH]1N[CH](N)[CH]2C[CH](CC[CH]2N1)CN3CC[CH]4CCCC[CH]34;C1CCC2C(C1)CCN2CC3CCC4C(C3)C(NC(N4)N)N","InChI=1S/C17H33N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h11-17,20-21H,1-10,18-19H2/t11-,12+,13+,14-,15-,16+,17+/m0/s1","","2004-01-20","2011-06-04","(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydro-1H-indol-1-ylmethyl]decahydroquinazoline-2,4-diamine",""],["TQU","4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine","C11 H9 N5","n1ccc(c2cc(N)ccc12)n3ncnc3;Nc1ccc2nccc(n3cncn3)c2c1;c1cc2c(cc1N)c(ccn2)n3cncn3","InChI=1S/C11H9N5/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H,12H2","","2012-07-20","2012-08-31","4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine","2012-08-31"],["2TR","6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide","C20 H22 Cl F N4 O2","CN(C)C(=O)c1c(N)ccc(c1F)c1cnc2NCC3(CCC(O)C3)c2c1Cl;CN(C)C(=O)c1c(N)ccc(c1F)c2cnc3NC[C]4(CC[CH](O)C4)c3c2Cl;CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)C4(CCC(C4)O)CN3)N","InChI=1S/C20H22ClFN4O2/c1-26(2)19(28)14-13(23)4-3-11(17(14)22)12-8-24-18-15(16(12)21)20(9-25-18)6-5-10(27)7-20/h3-4,8,10,27H,5-7,9,23H2,1-2H3,(H,24,25)/t10-,20-/m1/s1","","2021-06-30","2021-12-31","6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide","2022-01-05"],["TQV","O-CRESYL-SALIGENIN PHOSPHATE","C14 H15 O5 P","O=P(O)(Oc1ccccc1C)OCc2ccccc2O;Cc1ccccc1O[P](O)(=O)OCc2ccccc2O;Cc1ccccc1OP(=O)(O)OCc2ccccc2O","InChI=1S/C14H15O5P/c1-11-6-2-5-9-14(11)19-20(16,17)18-10-12-7-3-4-8-13(12)15/h2-9,15H,10H2,1H3,(H,16,17)","","2012-10-03","2024-09-27","2-hydroxybenzyl 2-methylphenyl hydrogen (S)-phosphate","2013-02-01"],["2TS","(2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide","C26 H36 Cl N7 O4 S","O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CCCNC(=[N@H])N)CCC3;NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](CCCNC(N)=N)N[S](=O)(=O)Cc3ccccc3;c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCc3cc(ccc3CN)Cl","InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1","(S)-1-((R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoyl)-pyrrolidine-2-carboxylic acid 2aminomethyl-5-chloro-benzylamide","2008-10-01","2021-03-01","N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide",""],["TQW","4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde","C17 H17 N O4 S","COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3;COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3","","2021-01-13","2024-09-27","4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde","2021-06-16"],["2TT","2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide","C16 H14 Cl N3 O2","O=C(Nc1nccc(c1)NC(=O)c2ccccc2Cl)C3CC3;Clc1ccccc1C(=O)Nc2ccnc(NC(=O)C3CC3)c2;c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl","InChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)16(22)19-11-7-8-18-14(9-11)20-15(21)10-5-6-10/h1-4,7-10H,5-6H2,(H2,18,19,20,21,22)","","2014-01-30","2014-05-23","2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide","2014-05-28"],["2TU","1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one","C9 H12 N2 O5 S","O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=S;C1=CN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O","InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1","2-thiouridine","2011-06-24","2021-03-01","1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",""],["TQX","(2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid","C26 H28 F N O4","O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3cc(F)c2OCCCc2c3C)C;Cc1nc2ccccc2c(c3cc(F)c4OCCCc4c3C)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3C(C(=O)O)OC(C)(C)C)C","InChI=1S/C26H28FNO4/c1-14-16-10-8-12-31-23(16)19(27)13-18(14)22-17-9-6-7-11-20(17)28-15(2)21(22)24(25(29)30)32-26(3,4)5/h6-7,9,11,13,24H,8,10,12H2,1-5H3,(H,29,30)/t24-/m0/s1","","2012-03-09","2012-04-20","(2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid",""],["TQY","6-O-octanoyl-alpha-D-glucopyranose","C14 H26 O7","C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O;CCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1","","2020-03-30","2020-07-17","6-O-octanoyl-alpha-D-glucopyranose","2020-07-29"],["2TV","(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C11 H12 N2 O6 S","O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O;CC(=O)OC=C1CS[CH](N=C1C(O)=O)[CH](NC=O)C=O;CC(=O)OC=C1CSC(N=C1C(=O)O)C(C=O)NC=O","InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1","N-formyl 7-aminocephalosporanic acid, bound form","2014-01-30","2024-09-27","(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2014-05-28"],["TQZ","2-AMINO-3-PENTASULFANYLPROPAN-1-OL","C3 H7 N O2 S5","O=C(O)C(N)CSSSSS;N[CH](CSSSSS)C(O)=O;C(C(C(=O)O)N)SSSSS","InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","2013-04-23","2024-09-27","3-pentasulfanyl-L-alanine","2013-11-27"],["2TW","[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid","C27 H31 Cl2 N O6 S","Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(C4CC4)CS(=O)(=O)C(C)(C)C)CC(=O)O;CC(C)(C)[S](=O)(=O)C[CH](C1CC1)N2[CH]([CH](O[CH](CC(O)=O)C2=O)c3cccc(Cl)c3)c4ccc(Cl)cc4;CC(C)(C)S(=O)(=O)CC(C1CC1)N2C(C(OC(C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl","InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1","","2014-01-31","2014-03-14","[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid","2014-03-19"],["TR0","(4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE","C24 H25 N3 O4","O=C(N3C(C(=O)NCc2ccc(c1ccccc1)cc2)CC(O)C3)Cc4onc(c4)C;Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4ccccc4)on1;Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4ccccc4)O","InChI=1S/C24H25N3O4/c1-16-11-21(31-26-16)13-23(29)27-15-20(28)12-22(27)24(30)25-14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-11,20,22,28H,12-15H2,1H3,(H,25,30)/t20-,22+/m1/s1","","2011-07-06","2014-09-05","(4R)-N-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide",""],["2TX","(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane","C30 H50 O","O1C(C)(C)C1CCC(=CCCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1OC1(C)C;CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)C)C)C","InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1","2,3-Oxidosqualene","2014-01-31","2020-06-17","(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane","2015-04-15"],["TR1","2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER","C24 H31 N3 O4 S","O=C(OC)C(NC(=O)CNC(=O)C(NCc1ccc(cc1)c2ccccc2)CS)C(C)C;COC(=O)[CH](NC(=O)CNC(=O)[CH](CS)NCc1ccc(cc1)c2ccccc2)C(C)C;CC(C)C(C(=O)OC)NC(=O)CNC(=O)C(CS)NCc1ccc(cc1)c2ccccc2","InChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1","","1999-08-03","2011-06-04","methyl N-(biphenyl-4-ylmethyl)-L-cysteinylglycyl-L-valinate",""],["2TY","2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE","C17 H18 N2 O4","O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O;N[CH](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O;c1ccc(cc1)CC=Nc2cc(c(cc2O)O)CC(C(=O)O)N","InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1","","2005-07-07","2024-09-27","2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine",""],["TR2","thieno[3,2-b]pyridin-7-ol","C7 H5 N O S","n1ccc(O)c2sccc12;Oc1ccnc2ccsc12;c1cnc2ccsc2c1O","InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)","","2010-06-08","2011-06-04","thieno[3,2-b]pyridin-7-ol",""],["2TZ","[(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid","C26 H31 Cl2 N O6 S","Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(CC)CS(=O)(=O)C(C)(C)C)CC(=O)O;CC[CH](C[S](=O)(=O)C(C)(C)C)N1[CH]([CH](O[CH](CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3;CCC(CS(=O)(=O)C(C)(C)C)N1C(C(OC(C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21+,23+,24+/m0/s1","","2014-02-02","2014-03-28","[(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid","2014-04-02"],["TR3","N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide","C20 H22 N4 O S","O=C(Nc1ccc2c(c1)n(nc2SC)c3ccccc3)C4CCNCC4;CSc1nn(c2ccccc2)c3cc(NC(=O)C4CCNCC4)ccc13;CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4","InChI=1S/C20H22N4OS/c1-26-20-17-8-7-15(22-19(25)14-9-11-21-12-10-14)13-18(17)24(23-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3,(H,22,25)","","2010-06-08","2011-06-04","N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide",""],["2U0","(2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid","C33 H37 Cl2 F N2 O5 S2","O=S(=O)(C(C)(C)C)CC(N3C(=O)C(CC(c1cccc(Cl)c1)C3c2ccc(Cl)c(F)c2)(Cc4ncc(s4)CC(=O)O)C)C5CC5;CC(C)(C)[S](=O)(=O)C[CH](C1CC1)N2[CH]([CH](C[C](C)(Cc3sc(CC(O)=O)cn3)C2=O)c4cccc(Cl)c4)c5ccc(Cl)c(F)c5;CC1(CC(C(N(C1=O)C(CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O","InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1","","2014-02-04","2014-03-28","(2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid","2014-04-02"],["TR4","5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile","C11 H10 N4 S","N#Cc1c(N)n(nc1SC)c2ccccc2;CSc1nn(c(N)c1C#N)c2ccccc2;CSc1c(c(n(n1)c2ccccc2)N)C#N","InChI=1S/C11H10N4S/c1-16-11-9(7-12)10(13)15(14-11)8-5-3-2-4-6-8/h2-6H,13H2,1H3","","2010-06-08","2011-06-04","5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile",""],["2U1","6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid","C33 H36 Cl2 N2 O6 S","O=C(O)c1ccc(nc1)CC3(OC(c2cc(Cl)ccc2)C(N(C3=O)C(C4CC4)CS(=O)(=O)C(C)(C)C)c5ccc(Cl)cc5)C;CC(C)(C)[S](=O)(=O)C[CH](C1CC1)N2[CH]([CH](O[C](C)(Cc3ccc(cn3)C(O)=O)C2=O)c4cccc(Cl)c4)c5ccc(Cl)cc5;CC1(C(=O)N(C(C(O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)C(CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O","InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33+/m1/s1","","2014-02-04","2014-03-28","6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid","2014-04-02"],["TR5","5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine","C13 H17 N6 O7 P","O=P(O)(O)OCC4OC(n1cc2C(=NN(c3ncnc1c23)C)N)C(O)C4O;CN1N=C(N)c2cn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c4ncnc1c24;CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)COP(=O)(O)O)O)O)C(=N1)N","InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1","Triciribine phosphate","2012-07-13","2020-06-17","5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine","2012-12-28"],["2U2","(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid","C19 H20 N6 O11 S","O=C(O)C(=NOCC(C=O)NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CCC(=O)O;Nc1scc(n1)C(=NOCC2=CC(=O)C(=CN2O)O)C(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C=O;c1c(nc(s1)N)C(=NOCC2=CC(=O)C(=CN2O)O)C(=O)NC(CON=C(CCC(=O)O)C(=O)O)C=O","InChI=1S/C19H20N6O11S/c20-19-22-12(8-37-19)16(24-36-7-10-3-13(27)14(28)4-25(10)34)17(31)21-9(5-26)6-35-23-11(18(32)33)1-2-15(29)30/h3-5,8-9,28,34H,1-2,6-7H2,(H2,20,22)(H,21,31)(H,29,30)(H,32,33)/b23-11+,24-16-/t9-/m1/s1","","2014-02-04","2024-09-27","(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid","2014-05-07"],["TR6","Trovafloxacin","C20 H15 F3 N4 O3","O=C(O)C=5C(=O)c1c(nc(c(F)c1)N3CC2C(N)C2C3)N(c4ccc(F)cc4F)C=5;N[CH]1[CH]2CN(C[CH]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F;c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4CC5C(C4)C5N)C(=O)O","InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+","7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid","2013-06-12","2021-03-13","7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid","2014-11-26"],["2U3","(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide","C16 H22 N6 O10 S2","O=S(=O)(O)ONC(C)(C)C(NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CO;CC(C)(NO[S](O)(=O)=O)[CH](CO)NC(=O)C(=NOCC1=CC(=O)C(=CN1O)O)c2csc(N)n2;CC(C)(C(CO)NC(=O)C(=NOCC1=CC(=O)C(=CN1O)O)c2csc(n2)N)NOS(=O)(=O)O","InChI=1S/C16H22N6O10S2/c1-16(2,21-32-34(28,29)30)12(5-23)19-14(26)13(9-7-33-15(17)18-9)20-31-6-8-3-10(24)11(25)4-22(8)27/h3-4,7,12,21,23,25,27H,5-6H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29,30)/b20-13-/t12-/m1/s1","","2014-02-04","2024-09-27","(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide","2014-05-07"],["TR7","methyl L-tryptophanate","C12 H14 N2 O2","O=C(OC)C(N)Cc2c1ccccc1nc2;COC(=O)[CH](N)Cc1c[nH]c2ccccc12;COC(=O)C(Cc1c[nH]c2c1cccc2)N","InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1","","2012-07-16","2014-09-05","methyl L-tryptophanate","2013-02-01"],["2U4","(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid","C25 H24 N6 O14 S","O=C(O)C(N2C(=O)c1cc(O)c(O)cc1C2=O)CC(=NOCC(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N)/C(=O)O;CC(C)(ON=C(C(=O)N[CH](CON=C(C[CH](N1C(=O)c2cc(O)c(O)cc2C1=O)C(O)=O)C(O)=O)C=O)c3csc(N)n3)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(CON=C(CC(C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)C(=O)O)C=O","InChI=1S/C25H24N6O14S/c1-25(2,23(42)43)45-30-17(13-8-46-24(26)28-13)18(35)27-9(6-32)7-44-29-12(21(38)39)5-14(22(40)41)31-19(36)10-3-15(33)16(34)4-11(10)20(31)37/h3-4,6,8-9,14,33-34H,5,7H2,1-2H3,(H2,26,28)(H,27,35)(H,38,39)(H,40,41)(H,42,43)/b29-12+,30-17-/t9-,14+/m1/s1","","2014-02-04","2024-09-27","(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid","2014-05-07"],["TR8","(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)","C32 H52 B N4 O10","O=C(NC([B-](O)(O)O)CCO)C3N2C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC4C1CN(C(=O)OC(C2)C3)C4)C(C)(C)C;CC(C)(C)C1NC(=O)OCC(C)(C)CCCCC2=CC=CC3CN(CC23)C(=O)OC4CC(N(C4)C1=O)C(=O)NC(CCO)[B-](O)(O)O;[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O","InChI=1S/C32H52BN4O10/c1-31(2,3)26-28(40)37-17-22(15-24(37)27(39)34-25(12-14-38)33(43,44)45)47-30(42)36-16-21-11-8-10-20(23(21)18-36)9-6-7-13-32(4,5)19-46-29(41)35-26/h8,10-11,21-26,38,43-45H,6-7,9,12-19H2,1-5H3,(H,34,39)(H,35,41)/q-1","","2010-08-02","2024-09-27","(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)",""],["2U5","6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid","C34 H38 Cl2 N2 O5 S","O=C(O)c1ccc(nc1)CC5(C(=O)N(C(CS(=O)(=O)C(C)(C)C)C2CC2)C(c3ccc(Cl)cc3)C(c4cccc(Cl)c4)C5)C;CC(C)(C)[S](=O)(=O)C[CH](C1CC1)N2[CH]([CH](C[C](C)(Cc3ccc(cn3)C(O)=O)C2=O)c4cccc(Cl)c4)c5ccc(Cl)cc5;CC1(CC(C(N(C1=O)C(CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O","InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/m1/s1","","2014-02-05","2014-03-28","6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid","2014-04-02"],["TR9","(5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione","C7 H8 O4","O=C1C(O)=C(C(=O)C(O)C1)C;CC1=C(O)C(=O)C[CH](O)C1=O;CC1=C(C(=O)CC(C1=O)O)O","InChI=1S/C7H8O4/c1-3-6(10)4(8)2-5(9)7(3)11/h4,8,11H,2H2,1H3/t4-/m0/s1","","2011-02-17","2024-09-27","(5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione",""],["2U6","6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid","C33 H36 Cl2 N2 O6 S","O=C(O)c1ccc(nc1)CC3(OC(c2cc(Cl)ccc2)C(N(C3=O)C(C4CC4)CS(=O)(=O)C(C)(C)C)c5ccc(Cl)cc5)C;CC(C)(C)[S](=O)(=O)C[CH](C1CC1)N2[CH]([CH](O[C](C)(Cc3ccc(cn3)C(O)=O)C2=O)c4cccc(Cl)c4)c5ccc(Cl)cc5;CC1(C(=O)N(C(C(O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)C(CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O","InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1","","2014-02-05","2014-03-28","6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid","2014-04-02"],["TRA","ACONITATE ION","C6 H3 O6","[O-]C(=O)CC(=CC([O-])=O)/C(=O)[O-];[O-]C(=O)CC(=CC([O-])=O)C([O-])=O;C(C(=CC(=O)[O-])C(=O)[O-])C(=O)[O-]","InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1+","","1999-07-08","2011-06-04","(1E)-prop-1-ene-1,2,3-tricarboxylate",""],["2U7","[(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid","C26 H31 Cl2 N O6 S","Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(CC)CS(=O)(=O)C(C)(C)C)CC(=O)O;CC[CH](C[S](=O)(=O)C(C)(C)C)N1[CH]([CH](O[CH](CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3;CCC(CS(=O)(=O)C(C)(C)C)N1C(C(OC(C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl","InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21-,23+,24+/m0/s1","","2014-02-05","2014-03-28","[(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid","2014-04-02"],["TRB","4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE","C16 H20 Cl N3 S","S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)CC=C(/C)C;C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(C)C)c23;CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C","InChI=1/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1/f/h18H","9-CL-TIBO","1999-07-08","2008-10-14","(5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione",""],["2U8","Mavoglurant","C19 H23 N O3","O=C(OC)N3C2CCCC(O)(C#Cc1cccc(c1)C)C2CC3;COC(=O)N1CC[CH]2[CH]1CCC[C]2(O)C#Cc3cccc(C)c3;Cc1cccc(c1)C#CC2(CCCC3C2CCN3C(=O)OC)O","InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1","methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate","2014-02-05","2021-03-13","methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate","2014-07-02"],["TRC","TRICARBALLYLIC ACID","C6 H8 O6","O=C(O)CC(C(=O)O)CC(=O)O;OC(=O)CC(CC(O)=O)C(O)=O;C(C(CC(=O)O)C(=O)O)C(=O)O","InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)","","1999-07-08","2011-06-04","propane-1,2,3-tricarboxylic acid",""],["2U9","N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide","C16 H18 N2 O4 S2","O=S3(=O)CCC(NC(=O)c1nc(sc1)COc2ccc(cc2)C)C3;Cc1ccc(OCc2scc(n2)C(=O)N[CH]3CC[S](=O)(=O)C3)cc1;Cc1ccc(cc1)OCc2nc(cs2)C(=O)NC3CCS(=O)(=O)C3","InChI=1S/C16H18N2O4S2/c1-11-2-4-13(5-3-11)22-8-15-18-14(9-23-15)16(19)17-12-6-7-24(20,21)10-12/h2-5,9,12H,6-8,10H2,1H3,(H,17,19)/t12-/m0/s1","","2014-05-06","2014-09-05","N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide","2014-06-25"],["TRD","TRIDECANE","C13 H28","C(CCCCCCCC)CCCC;CCCCCCCCCCCCC;CCCCCCCCCCCCC","InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3","LIPID FRAGMENT","1999-09-17","2020-06-17","tridecane",""],["2UA","(3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one","C12 H20 N2 O2","O=C1NCCC1CC(N)CCC(=O)C2CC2;N[CH](CCC(=O)C1CC1)C[CH]2CCNC2=O;C1CC1C(=O)CCC(CC2CCNC2=O)N","InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1","","2010-11-10","2012-01-13","(3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one",""],["TRE","TREHALOSE","C12 H22 O11","O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO;OC[CH]1O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1","ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE","2000-04-19","2020-07-17","alpha-D-glucopyranosyl alpha-D-glucopyranoside",""],["2UB","(Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid","C9 H7 Cl O2 S","Clc1ccc(C=C(S)C(=O)O)cc1;OC(=O)C(S)=Cc1ccc(Cl)cc1;c1cc(ccc1C=C(C(=O)O)S)Cl","InChI=1S/C9H7ClO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5+","","2014-05-07","2014-09-05","(2E)-3-(4-chlorophenyl)-2-sulfanylprop-2-enoic acid","2014-08-13"],["TRF","N1-FORMYL-TRYPTOPHAN","C12 H12 N2 O3","O=C(O)C(N)Cc2c1ccccc1n(c2)C=O;N[CH](Cc1cn(C=O)c2ccccc12)C(O)=O;c1ccc2c(c1)c(cn2C=O)CC(C(=O)O)N","InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1","","1999-07-08","2024-09-27","1-formyl-L-tryptophan",""],["2UC","1-[3-(2-oxoethyl)benzyl]guanidine","C10 H13 N3 O2","O=CCc1cccc(c1)CNC(=[N@H])N;NC(=N)NCc1cccc(CC(O)=O)c1;c1cc(cc(c1)CNC(=N)N)CC(=O)O","InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)","","2014-02-07","2024-09-27","1-[3-(2-oxoethyl)benzyl]guanidine","2014-04-09"],["TRG","L-(N,N DIMETHYL)LYSINE","C8 H18 N2 O2","O=C(O)C(N)CCCCN(C)C;CN(C)CCCC[CH](N)C(O)=O;CN(C)CCCCC(C(=O)O)N","InChI=1/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1/f/h11H","","1999-07-08","2009-01-07","N~6~,N~6~-dimethyl-L-lysine",""],["2UD","3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid","C11 H8 Br N O2 S","O=C(O)C(=S)Cc2c1cc(Br)ccc1nc2;OC(=O)C(=S)Cc1c[nH]c2ccc(Br)cc12;c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O","InChI=1S/C11H8BrNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-2,4-5,13H,3H2,(H,14,15)","","2014-05-07","2014-09-05","3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid","2014-08-13"],["TRH","2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE","C16 H26 N2 O15 P2","O=P(OC1OC(C(O)C(O)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O","InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1","","2000-11-28","2011-06-04","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["2UE","1-[4-(2-oxoethyl)benzyl]guanidine","C10 H13 N3 O","C(c1ccc(cc1)CNC(N)=[N@H])C=O;NC(=N)NCc1ccc(CC=O)cc1;c1cc(ccc1CC=O)CNC(=N)N","InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13)","","2015-06-22","2024-09-27","1-[4-(2-oxoethyl)benzyl]guanidine","2015-07-01"],["TRI","1,2,4-TRIAZOLE","C2 H3 N3","n1ncnc1;[nH]1cnnc1;c1[nH]cnn1","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","","1999-07-08","2011-06-04","4H-1,2,4-triazole",""],["2UF","L-gulonate","C6 H12 O7","O=C(O)C(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)O","InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1","","2014-05-07","2014-09-05","L-gulonic acid","2014-05-14"],["TRJ","META-DI(AMINOMETHYL)BENZENE","C8 H12 N2","NCc1cccc(c1)CN;NCc1cccc(CN)c1;c1cc(cc(c1)CN)CN","InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2","","2000-09-12","2011-06-04","benzene-1,3-diyldimethanamine",""],["2UG","4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine","C17 H17 N7","n1c(ccnc1Nc2ccncc2)c3cnc(nc3CC4CC4)N;Nc1ncc(c(CC2CC2)n1)c3ccnc(Nc4ccncc4)n3;c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N","InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)","","2014-05-08","2014-10-24","4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine","2014-10-29"],["TRK","TIRANDAMYCIN D","C22 H27 N O6","O=C1/C(C(=O)NC1)=C(/O)C=CC(=CC(C3OC2(OC(C(=O)C=C2C)C3C)C)C)C;C[CH](C=C(C)C=CC(O)=C1C(=O)CNC1=O)[CH]2O[C]3(C)O[CH]([CH]2C)C(=O)C=C3C;CC1C2C(=O)C=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(=O)CNC3=O)O)C)C","InChI=1S/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,19-,20+,22+/m1/s1","","2010-12-22","2011-06-24","(3Z)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}pyrrolidine-2,4-dione",""],["2UH","N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)","C16 H26 N6 O12 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(NCCCNC(=O)CC)NC1=O)C(O)C3O;CCC(=O)NCCCNC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;CCC(=O)NCCCNC1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1","InChI=1S/C16H26N6O12P2/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(33-15)6-32-36(30,31)34-35(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1","","2014-05-08","2024-09-27","N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)","2014-05-28"],["TRL","{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER","C19 H35 N3 O6 S","O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC(=O)OC(C)(C)C)C(C)C;CC[CH](C=O)[CH]1[CH](CCN1C(=O)[CH](NC(=O)OC(C)(C)C)C(C)C)N[S](C)(=O)=O;CCC(C=O)C1C(CCN1C(=O)C(C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C","InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1","GW472467X","2002-11-01","2024-09-27","tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate",""],["2UI","(3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol","C30 H54 O3","C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O;CC(CCC(CCO)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CC(C)(C)O)C)C","InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23-,24+,25-,26+,27+,29+,30-/m1/s1","CAR-R","2021-06-23","2021-08-27","(3~{R},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol","2021-09-01"],["TRM","1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID","C8 H6 N2 O2","O=C(O)c2nc1ccccc1n2;OC(=O)c1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)C(=O)O","InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)","","2000-09-12","2024-09-27","1H-benzimidazole-2-carboxylic acid",""],["2UJ","N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)","C16 H27 N6 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O;CCC(=O)NCCCNC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2N1;CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1","InChI=1S/C16H27N6O15P3/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(35-15)6-34-39(30,31)37-40(32,33)36-38(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H,32,33)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1","","2014-05-08","2024-09-27","N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)","2014-05-28"],["TRN","NZ2-TRYPTOPHAN","C10 H11 N3 O2","O=C(O)C(N)Cc2c1cccnc1nc2;N[CH](Cc1c[nH]c2ncccc12)C(O)=O;c1cc2c(c[nH]c2nc1)CC(C(=O)O)N","InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1","","1999-07-08","2024-09-27","3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine",""],["2UK","5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine","C16 H28 N7 O14 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O;CCC(=O)NCCCNC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O)c2N1;CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1","InChI=1S/C16H28N7O14P3/c1-2-9(24)17-4-3-5-18-16-20-13-10(14(27)21-16)19-7-23(13)15-12(26)11(25)8(36-15)6-35-40(33,34)37-39(31,32)22-38(28,29)30/h7-8,11-12,15,25-26H,2-6H2,1H3,(H,17,24)(H,33,34)(H2,18,20,21,27)(H4,22,28,29,30,31,32)/t8-,11-,12-,15-/m1/s1","","2014-05-08","2024-09-27","5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine","2014-05-28"],["TRO","2-HYDROXY-TRYPTOPHAN","C11 H12 N2 O3","O=C(O)C(N)Cc2c1ccccc1nc2O;N[CH](Cc1c(O)[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c([nH]2)O)CC(C(=O)O)N","InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1","","1999-07-08","2024-09-27","2-hydroxy-L-tryptophan",""],["2UL","3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid","C17 H19 B N2 O5","O=C(O)c1cccc(c1)CC(B(O)O)NC(=O)C(N)c2ccccc2;N[CH](C(=O)N[CH](Cc1cccc(c1)C(O)=O)B(O)O)c2ccccc2;B(C(Cc1cccc(c1)C(=O)O)NC(=O)C(c2ccccc2)N)(O)O","InChI=1S/C17H19BN2O5/c19-15(12-6-2-1-3-7-12)16(21)20-14(18(24)25)10-11-5-4-8-13(9-11)17(22)23/h1-9,14-15,24-25H,10,19H2,(H,20,21)(H,22,23)/t14-,15+/m0/s1","","2014-02-10","2024-09-27","3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid","2015-05-20"],["TRP","TRYPTOPHAN","C11 H12 N2 O2","O=C(O)C(N)Cc2c1ccccc1nc2;N[CH](Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1","","1999-07-08","2023-11-03","L-tryptophan",""],["2UN","{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID","C19 H21 N O7 S","O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)OC)(C(=O)OC)Cc2ccccc2;COC(=O)C(Cc1ccccc1)(Cc2ccc(N[S](O)(=O)=O)cc2)C(=O)OC;COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC","InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)","","2006-05-16","2011-06-04","{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid",""],["TRQ","2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID","C11 H10 N2 O4","O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2;N[CH](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O;c1c(c2c([nH]1)C(=O)C(=O)C=C2)CC(C(=O)O)N","InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1","","1999-07-08","2024-09-27","3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine",""],["2UO","Mevastatin, Compactin","C23 H34 O5","CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12;CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O","InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1","(1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-\n1-yl (2S)-2-methylbutanoate","2014-02-12","2020-06-17","[(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate","2015-02-18"],["TRR","2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM","C14 H19 N4 O3","O(c1cc(cc(OC)c1OC)Cc2c(nc(N)[nH+]c2)N)C;COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N","InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/p+1","","2002-05-27","2011-06-04","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium",""],["2UP","naphthalene-2-carboximidamide","C11 H10 N2","[N@H]=C(N)c2ccc1c(cccc1)c2;NC(=N)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)C(=N)N","InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)","","2012-07-13","2012-08-17","naphthalene-2-carboximidamide",""],["TRS","2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL","C4 H12 N O3","OCC([NH3+])(CO)CO;[NH3+]C(CO)(CO)CO;C(C(CO)(CO)[NH3+])O","InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1","TRIS BUFFER","1999-07-08","2020-06-17","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium",""],["2UQ","N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide","C13 H12 N4 O","O=C(c1cnc(nc1)C=[N@H])NCc2ccccc2;N=Cc1ncc(cn1)C(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)c2cnc(nc2)C=N","InChI=1S/C13H12N4O/c14-6-12-15-8-11(9-16-12)13(18)17-7-10-4-2-1-3-5-10/h1-6,8-9,14H,7H2,(H,17,18)/b14-6+","","2014-05-08","2024-09-27","N-benzyl-2-[(E)-iminomethyl]pyrimidine-5-carboxamide","2014-09-10"],["TRT","FRAGMENT OF TRITON X-100","C21 H36 O4","O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC;COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C;CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC","InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3","1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE","2003-06-27","2020-06-17","1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene",""],["2UR","(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide","C10 H10 F N O2","Fc2cc1c(OC(C1)C)c(c2)C(=O)N;C[CH]1Cc2cc(F)cc(C(N)=O)c2O1;CC1Cc2cc(cc(c2O1)C(=O)N)F","InChI=1S/C10H10FNO2/c1-5-2-6-3-7(11)4-8(10(12)13)9(6)14-5/h3-5H,2H2,1H3,(H2,12,13)/t5-/m1/s1","","2014-02-12","2014-06-27","(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide","2014-07-02"],["TRU","6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE","C8 H8 Cl3 N3 O4 S2","O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N;N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)C(Cl)Cl)cc1Cl;c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl","InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1","","2005-09-13","2011-06-04","(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",""],["2US","(2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","C16 H11 N O5","O=C(c3cccc1c3O/C(C1=O)=Cc2ccc(O)cc2O)N;NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(O)cc3O;c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3O)O)C2=O","InChI=1S/C16H11NO5/c17-16(21)11-3-1-2-10-14(20)13(22-15(10)11)6-8-4-5-9(18)7-12(8)19/h1-7,18-19H,(H2,17,21)/b13-6-","","2014-02-12","2014-06-27","(2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","2014-07-02"],["TRV","6-O-octanoyl-beta-D-fructofuranose","C14 H26 O7","OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1;CCCCCCCC(=O)OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;CCCCCCCC(=O)OCC1C(C(C(O1)(CO)O)O)O","InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1","","2020-03-30","2020-07-17","6-O-octanoyl-beta-D-fructofuranose","2020-07-29"],["2UT","(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","C22 H22 N2 O5","O=C1c4cccc(C(=O)N)c4O/C1=Cc3ccc(OCCN2CCOCC2)cc3;NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(OCCN4CCOCC4)cc3;c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3)OCCN4CCOCC4)C2=O","InChI=1S/C22H22N2O5/c23-22(26)18-3-1-2-17-20(25)19(29-21(17)18)14-15-4-6-16(7-5-15)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2,(H2,23,26)/b19-14-","","2014-02-12","2014-06-27","(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide","2014-07-02"],["TRW","TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL","C17 H18 N4 O2","O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3;N[CH](Cc1c[nH]c2c(O)c(NNc3ccccc3)ccc12)C=O;c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)CC(C=O)N","InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1","PHENYLHYDRAZINE ADDUCT","2002-08-19","2024-09-27","(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazino)-1H-indol-3-yl]propanal",""],["2UU","4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid","C30 H23 N O5 S","O=S(=O)(Nc3cc(c2c1ccccc1c(cc2)C)ccc3C(=O)O)c5ccc(Oc4ccccc4)cc5;Cc1ccc(c2ccc(C(O)=O)c(N[S](=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)c5ccccc15;Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O","InChI=1S/C30H23NO5S/c1-20-11-17-26(27-10-6-5-9-25(20)27)21-12-18-28(30(32)33)29(19-21)31-37(34,35)24-15-13-23(14-16-24)36-22-7-3-2-4-8-22/h2-19,31H,1H3,(H,32,33)","","2014-02-13","2014-03-07","4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid","2014-03-12"],["TRX","6-HYDROXYTRYPTOPHAN","C11 H12 N2 O3","O=C(O)C(N)Cc2c1ccc(O)cc1nc2;N[CH](Cc1c[nH]c2cc(O)ccc12)C(O)=O;c1cc2c(cc1O)[nH]cc2CC(C(=O)O)N","InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1","","2001-10-29","2024-09-27","6-hydroxy-L-tryptophan",""],["2UV","4-hydroxy-4'-propylbiphenyl-3-carboxylic acid","C16 H16 O3","O=C(O)c1cc(ccc1O)c2ccc(cc2)CCC;CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O;CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O","InChI=1S/C16H16O3/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(10-13)16(18)19/h4-10,17H,2-3H2,1H3,(H,18,19)","","2014-02-13","2014-03-07","4-hydroxy-4'-propylbiphenyl-3-carboxylic acid","2014-03-12"],["TRY","(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid","C11 H10 N2 O2","O=C(O)/C(N)=C/c2c1ccccc1nc2;NC(=Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)C=C(C(=O)O)N","InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-","","2011-03-25","2011-06-04","(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid",""],["2UW","(2S)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol","C17 H13 Cl F3 N3 O3 S2","O=S(=O)(c2sc(c1ncc(cc1Cl)C(O)(C)C(F)(F)F)cc2)c3ccc(nc3)N;C[C](O)(c1cnc(c(Cl)c1)c2sc(cc2)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F;CC(c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O","InChI=1S/C17H13ClF3N3O3S2/c1-16(25,17(19,20)21)9-6-11(18)15(24-7-9)12-3-5-14(28-12)29(26,27)10-2-4-13(22)23-8-10/h2-8,25H,1H3,(H2,22,23)/t16-/m0/s1","","2014-02-13","2014-07-25","(2S)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol","2014-07-30"],["TRZ","TRAZEOLIDE","C20 H28 O3","O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C;CC(C)[CH]1[CH](C)C(C)(C)c2cc(C)c(cc12)C(=O)CCC(O)=O;Cc1cc2c(cc1C(=O)CCC(=O)O)C(C(C2(C)C)C)C(C)C","InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1","","1999-10-07","2011-06-04","4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(1-methylethyl)-2,3-dihydro-1H-inden-5-yl]butanoic acid",""],["2UX","(2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol","C20 H17 F3 N2 O3 S","O=S(=O)(c1cnc(N)cc1)c3ccc(c2ccc(cc2)C(O)(C)C(F)(F)F)cc3;C[C](O)(c1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F;CC(c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O","InChI=1S/C20H17F3N2O3S/c1-19(26,20(21,22)23)15-6-2-13(3-7-15)14-4-8-16(9-5-14)29(27,28)17-10-11-18(24)25-12-17/h2-12,26H,1H3,(H2,24,25)/t19-/m0/s1","","2014-02-13","2014-07-25","(2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol","2014-07-30"],["TS","THYMIDINE-5'-THIOPHOSPHATE","C10 H15 N2 O7 P S","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=S)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)O","InChI=1/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21)/t6-,7+,8+/m0/s1/f/h11,16-17H","","1999-07-08","2009-01-07","5'-O-thiophosphonothymidine",""],["2UY","(2S)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol","C24 H20 F3 N5 O3 S","O=S(=O)(c1ccc(nc1)N)c3nc(c(c2ncc(cc2)C(O)(C)C(F)(F)F)cc3)Nc4ccccc4;C[C](O)(c1ccc(nc1)c2ccc(nc2Nc3ccccc3)[S](=O)(=O)c4ccc(N)nc4)C(F)(F)F;CC(c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O","InChI=1S/C24H20F3N5O3S/c1-23(33,24(25,26)27)15-7-10-19(29-13-15)18-9-12-21(32-22(18)31-16-5-3-2-4-6-16)36(34,35)17-8-11-20(28)30-14-17/h2-14,33H,1H3,(H2,28,30)(H,31,32)/t23-/m0/s1","","2014-02-13","2014-07-25","(2S)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol","2014-07-30"],["TS0","4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE","C14 H23 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O","InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8+,10+/m0/s1","","2004-07-01","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitol",""],["2UZ","(2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C7 H10 N2 O4 S","O=C(O)C(N)C1SCC=C(C(=O)O)N1;N[CH]([CH]1NC(=CCS1)C(O)=O)C(O)=O;C1C=C(NC(S1)C(C(=O)O)N)C(=O)O","InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1","(6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form","2014-02-17","2021-03-13","(2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2014-05-28"],["TS1","4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE","C14 H23 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O","InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8-,10+/m1/s1","","2004-07-01","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",""],["2V0","(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C8 H12 N2 O4 S","O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C;CC1=C(N[CH](SC1)[CH](N)C(O)=O)C(O)=O;CC1=C(NC(SC1)C(C(=O)O)N)C(=O)O","InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1","7-aminodeacetoxycephalosporanic acid, hydrolyzed form","2014-02-17","2020-06-17","(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2014-05-28"],["TS2","2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID","C27 H47 N9 O10 S2","O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1;N[CH](CCC(=O)N[CH]1CSSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(O)=O;C1CCNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCCCNC1)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N","InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1","RING WITH GLUTATHIONE AND SPERMIDINE","1999-07-08","2021-03-01","(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name)",""],["2V1","4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide","C31 H28 N6 O5 S","O=C(c5ccc(Nc4nc(c2cccc(NC(=O)c1ccc(cc1)S(=O)(=O)C)c2)cn3ccnc34)cc5)N6CCOCC6;C[S](=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(Nc5ccc(cc5)C(=O)N6CCOCC6)n3;CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6","InChI=1S/C31H28N6O5S/c1-43(40,41)26-11-7-21(8-12-26)30(38)34-25-4-2-3-23(19-25)27-20-37-14-13-32-29(37)28(35-27)33-24-9-5-22(6-10-24)31(39)36-15-17-42-18-16-36/h2-14,19-20H,15-18H2,1H3,(H,33,35)(H,34,38)","","2014-02-19","2014-05-09","4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide","2014-05-14"],["TS3","BIS[[5-GLUTAMYL-CYSTEINYL-GLYCYL]-AMINOPROPYL]AMINE","C27 H49 N9 O10 S2","O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS;N[CH](CCC(=O)N[CH](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O)C(O)=O;C(CCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N)CNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N","InChI=1/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1/f/h31-36,43,45H","","1999-07-08","2008-10-14","(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name)",""],["2V2","1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea","C27 H29 N5 O3","O=C1C(NC(=O)NC)=CC(=CN1C)c4cccc(N3C=Nc2cc(ccc2C3=O)C(C)(C)C)c4C;CNC(=O)NC1=CC(=CN(C)C1=O)c2cccc(N3C=Nc4cc(ccc4C3=O)C(C)(C)C)c2C;Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C","InChI=1S/C27H29N5O3/c1-16-19(17-12-22(30-26(35)28-5)25(34)31(6)14-17)8-7-9-23(16)32-15-29-21-13-18(27(2,3)4)10-11-20(21)24(32)33/h7-15H,1-6H3,(H2,28,30,35)","","2014-02-19","2014-05-09","1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea","2014-05-14"],["TS4","GLUTATHIONYLSPERMIDINE DISULFIDE","C34 H66 N12 O10 S2","O=C(NC(C(=O)NCC(=O)NCCCNCCCCN)CSSCC(C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N;NCCCCNCCCNC(=O)CNC(=O)[CH](CSSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[CH](N)C(O)=O;C(CCNCCCNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N)CN","InChI=1S/C34H66N12O10S2/c35-11-1-3-13-39-15-5-17-41-29(49)19-43-31(51)25(45-27(47)9-7-23(37)33(53)54)21-57-58-22-26(46-28(48)10-8-24(38)34(55)56)32(52)44-20-30(50)42-18-6-16-40-14-4-2-12-36/h23-26,39-40H,1-22,35-38H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H,45,47)(H,46,48)(H,53,54)(H,55,56)/t23-,24-,25+,26+/m1/s1","","1999-07-08","2011-06-04","(14R,19R,24R)-1,24-diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-oic acid (non-preferred name)",""],["2V3","6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one","C36 H37 F N6 O3","Fc2cc(cc1C=CN(C(=O)c12)c3cccc(c3CO)C=4C=C(C(=O)N(C=4)C)Nc6ncc(N5CCN(CC)CC5)cc6)C7CC7;CCN1CCN(CC1)c2ccc(NC3=CC(=CN(C)C3=O)c4cccc(N5C=Cc6cc(cc(F)c6C5=O)C7CC7)c4CO)nc2;CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7","InChI=1S/C36H37FN6O3/c1-3-41-13-15-42(16-14-41)27-9-10-33(38-20-27)39-31-19-26(21-40(2)35(31)45)28-5-4-6-32(29(28)22-44)43-12-11-24-17-25(23-7-8-23)18-30(37)34(24)36(43)46/h4-6,9-12,17-21,23,44H,3,7-8,13-16,22H2,1-2H3,(H,38,39)","","2014-02-19","2014-05-09","6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one","2014-05-14"],["TS5","GLUTATHIONYLSPERMIDINE","C17 H34 N6 O5 S","O=C(NCC(=O)NCCCNCCCCN)C(NC(=O)CCC(C(=O)O)N)CS;NCCCCNCCCNC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O;C(CCNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N)CN","InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1","","2001-02-28","2024-09-27","L-gamma-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide",""],["2V4","rabelomycin","C19 H14 O6","O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O;C[C]1(O)CC(=O)c2c(C1)cc(O)c3C(=O)c4c(O)cccc4C(=O)c23;CC1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O","InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1","(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione","2014-02-19","2020-06-17","(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione","2014-10-01"],["TS6","Monothiophosphate","H3 O3 P S","O=P(O)(O)S;O[P](O)(S)=O;OP(=O)(O)S","InChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)","phosphorothioic O,O,S-acid","2009-08-31","2021-03-13","phosphorothioic O,O,S-acid",""],["2V5","N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide","C29 H41 N7 O5 S","O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCONC(=[N@H])N;CN1CCN(CC1)C(=O)N[CH](CCCONC(N)=N)C(=O)N[CH](CCc2ccccc2)C=C[S](=O)(=O)c3ccccc3;CN1CCN(CC1)C(=O)NC(CCCONC(=N)N)C(=O)NC(CCc2ccccc2)C=CS(=O)(=O)c3ccccc3","InChI=1S/C29H41N7O5S/c1-35-17-19-36(20-18-35)29(38)33-26(13-8-21-41-34-28(30)31)27(37)32-24(15-14-23-9-4-2-5-10-23)16-22-42(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,32,37)(H,33,38)(H4,30,31,34)/t24-,26-/m0/s1","","2014-05-09","2024-09-27","N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide","2014-11-12"],["TS7","[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C30 H32 N2 O3","CCCN1CC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCCN1CC(C1)Oc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36;CCCN1CC(C1)Oc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C30H32N2O3/c1-2-16-31-19-26(20-31)35-25-11-8-21(9-12-25)28-27-13-10-24(33)17-23(27)18-30(14-15-30)32(28)29(34)22-6-4-3-5-7-22/h3-13,17,26,28,33H,2,14-16,18-20H2,1H3/t28-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["2V6","N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C14 H7 F8 N5","FC(F)(F)c1c(F)cc(cc1F)Nc2cc(nc3nc(nn23)C(F)(F)F)C;Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n3nc(nc3n1)C(F)(F)F;Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F","InChI=1S/C14H7F8N5/c1-5-2-9(27-12(23-5)25-11(26-27)14(20,21)22)24-6-3-7(15)10(8(16)4-6)13(17,18)19/h2-4,24H,1H3","","2014-02-20","2014-05-30","N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2014-06-04"],["TS8","2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose","C14 H20 O9 S","O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C;CC(=O)OC[CH]1O[CH](S)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O;CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C)OC(=O)C)OC(=O)C","InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1","3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL; 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucose;\n2,3,4,6-tetra-O-acetyl-1-thio-D-glucose; 2,3,4,6-tetra-O-acetyl-1-thio-glucose","2011-02-24","2020-07-17","2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose",""],["2V7","(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol","C14 H16 O3","OC(C)C(O)c1ccc2c(c1)ccc(OC)c2;COc1ccc2cc(ccc2c1)[CH](O)[CH](C)O;CC(C(c1ccc2cc(ccc2c1)OC)O)O","InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1","(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form","2014-02-20","2024-09-27","(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol","2014-03-05"],["TS9","(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid","C6 H13 N O4","O=C(O)C(N)C(O)(C)C(O)C;C[CH](O)[C](C)(O)[CH](N)C(O)=O;CC(C(C)(C(C(=O)O)N)O)O","InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1","","2008-03-11","2024-09-27","(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name)",""],["2V8","1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid","C24 H18 Cl2 N2 O2","Clc4cccc(c3c(nc(c1cccc(c1)C)n3c2c(ccc(Cl)c2)C)C(=O)O)c4;Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4;Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O","InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)","","2014-02-21","2014-04-18","1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid","2014-04-23"],["TSA","8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID","C10 H12 O6","O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2;O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O;C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O","InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1","","1999-07-08","2011-06-04","(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",""],["2V9","Lestaurtinib","C26 H21 N3 O4","O=C1NCc2c3c4n(c5ccccc53)C3(C)OC(CC3(O)CO)n3c4c(c21)c1ccccc31;C[C]12O[CH](C[C]1(O)CO)n3c4ccccc4c5c3c6n2c7ccccc7c6c8CNC(=O)c58;CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O","InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1","(5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one","2014-02-24","2022-12-01","(4bR,5S,6S,8R,8aS)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one","2014-08-27"],["TSB","5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE","C14 H21 N7 O8 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(O)C;C[CH](O)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N)O","InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,9-,10-,14-/m1/s1","","2000-04-24","2011-06-04","5'-O-(L-threonylsulfamoyl)adenosine",""],["2VA","2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE","C15 H23 N7 O4","O=C(NC3C(O)C(OC3n2cnc1c(ncnc12)N)CO)C(N)C(C)C;CC(C)[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23;CC(C)C(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N","InChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-11(24)7(3-23)26-15(9)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8+,9-,11-,15-/m1/s1","","2004-08-12","2011-06-04","2'-deoxy-2'-(L-valylamino)adenosine",""],["TSC","(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL","C10 H12 N2 O","OC(N)Cc2c1ccccc1nc2;N[CH](O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(N)O","InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1","","2005-08-09","2011-06-04","(1S)-1-amino-2-(1H-indol-3-yl)ethanol",""],["2VC","N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide","C27 H39 N9 O5 S","O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ncccn2)CCc3ccccc3)CCCONC(=[N@H])N;CN1CCN(CC1)C(=O)N[CH](CCCONC(N)=N)C(=O)N[CH](CCc2ccccc2)C=C[S](=O)(=O)c3ncccn3;CN1CCN(CC1)C(=O)NC(CCCONC(=N)N)C(=O)NC(CCc2ccccc2)C=CS(=O)(=O)c3ncccn3","InChI=1S/C27H39N9O5S/c1-35-15-17-36(18-16-35)27(38)33-23(9-5-19-41-34-25(28)29)24(37)32-22(11-10-21-7-3-2-4-8-21)12-20-42(39,40)26-30-13-6-14-31-26/h2-4,6-8,12-14,20,22-23H,5,9-11,15-19H2,1H3,(H,32,37)(H,33,38)(H4,28,29,34)/b20-12+/t22-,23-/m0/s1","","2014-05-09","2014-11-07","N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide","2014-11-12"],["TSD","3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,-D4","C6 H9 O2 Si","[2H]C([2H])(C([O-])=O)C([2H])([2H])[Si](C)(C)C;C[Si](C)(C)C(C(C([O-])=O)([2H])[2H])([2H])[2H];[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C","InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)/p-1/i4D2,5D2","","2004-07-06","2011-06-08","3-(trimethylsilyl)(~2~H_4_)propanoate",""],["2VD","(2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","C24 H23 Br N2 O5","O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4;OC(=O)[CH]1CCc2c(C1)n(CC(=O)N[CH](Cc3ccccc3)C(O)=O)c4ccc(Br)cc24;c1ccc(cc1)CC(C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2CC(CC4)C(=O)O)Br","InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1","","2014-02-24","2014-02-28","(2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","2014-03-05"],["TSE","THIOPHOSPHONOACETIC ACID","C2 H5 O4 P S","O=C(O)CP(=S)(O)O;OC(=O)C[P](O)(O)=S;C(C(=O)O)P(=S)(O)O","InChI=1S/C2H5O4PS/c3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,8)","","2005-01-14","2011-06-04","thiophosphonoacetic acid",""],["2VE","(2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","C17 H17 Br N2 O5","O=C(O)CNC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3;OC(=O)CNC(=O)Cn1c2C[CH](CCc2c3cc(Br)ccc13)C(O)=O;c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)CC(CC3)C(=O)O","InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1","","2014-02-24","2014-02-28","(2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","2014-03-05"],["TSF","3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE","C15 H23 F2 N4 O10 P","FC(F)(P(=O)(O)O)CCCCN2C=1C(=O)NC(=O)NC=1N(C2=O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCCC(F)(F)[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)CC(F)(F)P(=O)(O)O","InChI=1S/C15H23F2N4O10P/c16-15(17,32(29,30)31)3-1-2-4-20-9-11(18-13(27)19-12(9)26)21(14(20)28)5-7(23)10(25)8(24)6-22/h7-8,10,22-25H,1-6H2,(H2,29,30,31)(H2,18,19,26,27)/t7-,8-,10+/m1/s1","","2005-12-09","2011-06-04","1-deoxy-1-[7-(5,5-difluoro-5-phosphonopentyl)-2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl]-D-arabinitol",""],["2VF","(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","C15 H15 Cl N2 O3","O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N;NC(=O)Cn1c2C[CH](CCc2c3cc(Cl)ccc13)C(O)=O;c1cc2c(cc1Cl)c3c(n2CC(=O)N)CC(CC3)C(=O)O","InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1","","2014-02-24","2014-02-28","(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","2014-03-05"],["TSH","2-(1H-INDOL-3-YL)ETHANIMINE","C10 H10 N2","[N@H]=CCc2c1ccccc1nc2;N=CCc1c[nH]c2ccccc12;[H]N=CCc1c[nH]c2c1cccc2","InChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,6-7,11-12H,5H2/b11-6-","","2005-08-09","2011-06-04","(1Z)-2-(1H-indol-3-yl)ethanimine",""],["2VG","(2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","C13 H12 Cl N O2","O=C(O)C3CCc2c1c(ccc(Cl)c1)nc2C3;OC(=O)[CH]1CCc2c(C1)[nH]c3ccc(Cl)cc23;c1cc2c(cc1Cl)c3c([nH]2)CC(CC3)C(=O)O","InChI=1S/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/m1/s1","","2014-02-24","2014-02-28","(2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","2014-03-05"],["TSI","(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL","C5 H13 N O2","OC(C)C(O)(C)CN;C[CH](O)[C](C)(O)CN;CC(C(C)(CN)O)O","InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1","","2000-11-02","2011-06-04","(2S,3R)-1-amino-2-methylbutane-2,3-diol",""],["2VH","(2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine","C17 H19 F3 N4 O3 S","O=S(=O)(n1nc2c(c1)CN(C2)C3CC(N)C(OC3)c4cc(F)c(F)cc4F)C;C[S](=O)(=O)n1cc2CN(Cc2n1)[CH]3CO[CH]([CH](N)C3)c4cc(F)c(F)cc4F;CS(=O)(=O)n1cc2c(n1)CN(C2)C3CC(C(OC3)c4cc(c(cc4F)F)F)N","InChI=1S/C17H19F3N4O3S/c1-28(25,26)24-6-9-5-23(7-16(9)22-24)10-2-15(21)17(27-8-10)11-3-13(19)14(20)4-12(11)18/h3-4,6,10,15,17H,2,5,7-8,21H2,1H3/t10-,15+,17-/m1/s1","","2014-02-24","2014-04-04","(2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine","2014-04-09"],["TSJ","3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid","C20 H16 F3 N3 O3","FC(F)(F)c1cc(cc(c1)C)c2cc(nn2)NC(=O)c3c(cc(cc3)C(=O)O)C;Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(O)=O;Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O","InChI=1S/C20H16F3N3O3/c1-10-5-13(8-14(6-10)20(21,22)23)16-9-17(26-25-16)24-18(27)15-4-3-12(19(28)29)7-11(15)2/h3-9H,1-2H3,(H,28,29)(H2,24,25,26,27)","","2015-05-28","2015-06-12","3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid","2015-06-17"],["2VI","5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one","C23 H23 Cl F2 N2 O3","COCCCN1CCc2c(Cc3ccc(Cl)cc3)[nH]c4c(OC(F)F)ccc(C1=O)c24;COCCCN1CCc2c([nH]c3c2c(ccc3OC(F)F)C1=O)Cc4ccc(cc4)Cl","InChI=1S/C23H23ClF2N2O3/c1-30-12-2-10-28-11-9-16-18(13-14-3-5-15(24)6-4-14)27-21-19(31-23(25)26)8-7-17(20(16)21)22(28)29/h3-8,23,27H,2,9-13H2,1H3","","2021-07-09","2022-05-13","5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one","2022-05-18"],["TSK","3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione","C22 H14 F I N2 O4","Ic1cc2c(cc1F)c(cn2C)C=5C(=O)NC(=O)C=5c3c4cccc(OC)c4oc3;COc1cccc2c1occ2C3=C(C(=O)NC3=O)c4cn(C)c5cc(I)c(F)cc45;Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC","InChI=1S/C22H14FIN2O4/c1-26-8-12(11-6-14(23)15(24)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)","","2011-06-09","2011-07-29","3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione",""],["2VJ","2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid","C24 H25 Cl2 N5 O3 S","Clc1ccc(cc1Cl)CNC(=O)C4CCCCC4c3nc(Sc2ncc(C(=O)O)n2)cc(n3)CC;CCc1cc(Sc2[nH]c(cn2)C(O)=O)nc(n1)[CH]3CCCC[CH]3C(=O)NCc4ccc(Cl)c(Cl)c4;CCc1cc(nc(n1)C2CCCCC2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O","InChI=1S/C24H25Cl2N5O3S/c1-2-14-10-20(35-24-28-12-19(30-24)23(33)34)31-21(29-14)15-5-3-4-6-16(15)22(32)27-11-13-7-8-17(25)18(26)9-13/h7-10,12,15-16H,2-6,11H2,1H3,(H,27,32)(H,28,30)(H,33,34)/t15-,16-/m0/s1","","2014-02-24","2014-03-07","2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid","2014-03-12"],["TSL","TRANS-ENAMINE INTERMEDIATE OF SULBACTAM","C8 H13 N O5 S","O=S(O)C(C(NC=CC=O)C(=O)O)(C)C;CC(C)([CH](NC=CC=O)C(O)=O)[S](O)=O;CC(C)(C(C(=O)O)NC=CC=O)S(=O)O","InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1","","2005-07-28","2024-09-27","N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine",""],["2VK","4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile","C27 H34 N2 O2","N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4;O[C](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4ccccc4;c1ccc(cc1)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O","InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m0/s1","","2014-02-25","2014-02-28","4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile","2014-03-05"],["TSM","2-methylpropane-2-sulfonic acid","C4 H10 O3 S","O=S(=O)(O)C(C)(C)C;CC(C)(C)[S](O)(=O)=O;CC(C)(C)S(=O)(=O)O","InChI=1S/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)","","1999-07-08","2011-06-04","2-methylpropane-2-sulfonic acid",""],["2VL","N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl\n}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide","C33 H36 N6 O3 S","O=C1N(C)CCN(C)C1c2ccc(cc2)NC3=NC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5sc6c(c5)CCCC6;CN1CCN(C)C(=O)[CH]1c2ccc(NC3=NC(=CN(C)C3=O)c4cccc(NC(=O)c5sc6CCCCc6c5)c4C)cc2;Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C6C(=O)N(CCN6C)C)C","InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1","GDC0834","2014-02-25","2020-06-17","N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide","2015-01-28"],["TSN","TRICHOSTATIN A","C17 H22 N2 O3","O=C(NO)C=CC(=CC(C(=O)c1ccc(N(C)C)cc1)C)C;C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C;CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C","InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1","7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE","1999-07-30","2021-03-13","(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide",""],["2VM","(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","C24 H23 Br N2 O5","O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4;OC(=O)[CH]1CCc2c(C1)n(CC(=O)N[CH](Cc3ccccc3)C(O)=O)c4ccc(Br)cc24;c1ccc(cc1)CC(C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2CC(CC4)C(=O)O)Br","InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1","","2014-02-25","2014-02-28","(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid","2014-03-05"],["TSO","(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID","C10 H12 O6","O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2;O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O;C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O","InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1","","2008-10-16","2012-04-04","(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",""],["2VN","2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid","C29 H46 N2 O3 S","O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3;CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3)cc1)C(O)=O;CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3","InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)","","2014-02-26","2018-12-21","2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid","2018-12-26"],["TSP","3'-THIO-THYMIDINE-5'-PHOSPHATE","C10 H15 N2 O7 P S","P(=O)(O)(O)OCC1OC(CC1S)N2C(=O)NC(=O)C(C)=C2;CC1=CN([CH]2C[CH](S)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)S","InChI=1S/C10H15N2O7PS/c1-5-3-12(10(14)11-9(5)13)8-2-7(21)6(19-8)4-18-20(15,16)17/h3,6-8,21H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1","","1999-07-08","2019-09-04","3'-thiothymidine 5'-(dihydrogen phosphate)",""],["2VO","Phytochromobilin, bound form","C33 H40 N4 O6","CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,19-20,34-35H,2,7,9-13,15H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b27-14-/t19-,20-/m1/s1","","2014-02-26","2023-10-17","3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2014-07-16"],["TSQ","4-(trimethylsilyl)-L-phenylalanine","C12 H19 N O2 Si","c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C;C[Si](C)(C)c1ccc(C[CH](N)C(O)=O)cc1;C[Si](C)(C)c1ccc(cc1)CC(C(=O)O)N","InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1","","2019-02-04","2024-09-27","4-(trimethylsilyl)-L-phenylalanine","2020-09-09"],["2VP","(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","C21 H24 O2","O=C(O)C=C(C=CC=C(/C=C2/c1cc(ccc1CCC2)C)C)C;CC(C=CC=C(C)C=C1CCCc2ccc(C)cc12)=CC(O)=O;Cc1ccc2c(c1)C(=CC(=CC=CC(=CC(=O)O)C)C)CCC2","InChI=1S/C21H24O2/c1-15(6-4-7-16(2)14-21(22)23)12-19-9-5-8-18-11-10-17(3)13-20(18)19/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,22,23)/b7-4+,15-6-,16-14+,19-12+","","2014-02-26","2014-06-13","(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","2014-06-18"],["TSR","2-(1H-INDOL-3-YL)ACETAMIDE","C10 H10 N2 O","O=C(N)Cc2c1ccccc1nc2;NC(=O)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(=O)N","InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)","","2005-08-09","2024-09-27","2-(1H-indol-3-yl)acetamide",""],["2VQ","N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide","C6 H11 N5 O4 S","[O-][N+](=O)c1cnc(n1CCNS(=O)(=O)N)C;Cc1ncc(n1CCN[S](N)(=O)=O)[N+]([O-])=O;Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-]","InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)","","2013-09-13","2013-10-25","N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfuric diamide","2013-10-30"],["TSS","2-(1H-INDOL-3-YL)ETHANAMINE","C10 H12 N2","c1cccc2c1c(cn2)CCN;NCCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCN","InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2","TRYPTAMINE","2005-08-08","2024-09-27","2-(1H-indol-3-yl)ethanamine",""],["2VR","(2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","C21 H24 O2","O=C(O)C=C(C=CC=C(/C=C2/c1c(cccc1CCC2)C)C)C;CC(C=CC=C(C)C=C1CCCc2cccc(C)c12)=CC(O)=O;Cc1cccc2c1C(=CC(=CC=CC(=CC(=O)O)C)C)CCC2","InChI=1S/C21H24O2/c1-15(7-4-8-16(2)14-20(22)23)13-19-12-6-11-18-10-5-9-17(3)21(18)19/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,22,23)/b8-4+,15-7-,16-14+,19-13+","","2014-02-26","2014-06-13","(2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid","2014-06-18"],["TST","4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID","C18 H26 N2 O5 S2","O=S(=O)(N1C(C(=O)NC(C(=O)O)CC(C)C)CSCC1)c2ccc(cc2)C;CC(C)C[CH](NC(=O)[CH]1CSCCN1[S](=O)(=O)c2ccc(C)cc2)C(O)=O;Cc1ccc(cc1)S(=O)(=O)N2CCSCC2C(=O)NC(CC(C)C)C(=O)O","InChI=1S/C18H26N2O5S2/c1-12(2)10-15(18(22)23)19-17(21)16-11-26-9-8-20(16)27(24,25)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1","(3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-LEUCINE","2001-10-18","2021-03-13","N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-leucine",""],["2VS","(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid","C6 H6 O4","O=C(O)C(O)=CC=CC=O;OC(=O)C(O)=CC=CC=O;C(=CC=O)C=C(C(=O)O)O","InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-","","2014-02-26","2024-09-27","(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid","2014-12-24"],["TSU","PARA-TOLUENE SULFONATE","C7 H8 O3 S","O=S(=O)(O)c1ccc(cc1)C;Cc1ccc(cc1)[S](O)(=O)=O;Cc1ccc(cc1)S(=O)(=O)O","InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)","","1999-07-08","2011-06-04","4-methylbenzenesulfonic acid",""],["2VT","N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide","C19 H14 N6 O","N#Cc1cccc(c1)Cn2ncc(c2)NC(=O)c3c4ccccc4nn3;O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c3[nH]nc4ccccc34;c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N","InChI=1S/C19H14N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h1-8,10,12H,11H2,(H,22,26)(H,23,24)","","2014-02-27","2014-05-30","N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide","2014-06-04"],["TSV","(2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8\n,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate","C35 H44 F N5 O9 S","O=S(=O)(NC(=O)C12NC(=O)C5N(C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)CC(OC(=O)n4cc3cccc(F)c3c4)C5)C6CC6;CC(C)(C)OC(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)OC(=O)n4cc5cccc(F)c5c4)C(=O)N[S](=O)(=O)C6CC6;CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6","InChI=1S/C35H44FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,18,20,22-24,27-28H,4-6,8,13-17,19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1","ITMN-191; danoprevir","2010-04-21","2020-06-17","(2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate",""],["A1EAY","Sulfinpyrazone","C23 H20 N2 O3 S","O=C1C(CC[S](=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4;c1ccc(cc1)N2C(=O)C(C(=O)N2c3ccccc3)CCS(=O)c4ccccc4","InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2","1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione","2024-08-20","2025-11-17","1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione","2025-08-13"],["TSW","2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide","C19 H16 N6 O2 S2","O=C(CSC1=Nc2nccnc2C(=O)N1CCc3ccccc3)Nc4sccn4;c1ccc(cc1)CCN2C(=O)c3c(nccn3)N=C2SCC(=O)Nc4nccs4","InChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26)","","2021-01-13","2022-08-26","2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide","2022-08-31"],["A1EAZ","2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one","C25 H32 Cl N5 O2","CCC1=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C(=O)N1CCOc4ccccc4;CCC1=NN(C(=O)N1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl","InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3","Nefazodone","2024-08-20","2026-02-27","2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one","2026-03-04"],["TSX","N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE","C21 H25 N5 O3","O=C(Nc1ccc(cc1)Cc3nc2N(C(=O)N(C(=O)c2n3)CC=C)CCCC)C;CCCCN1C(=O)N(CC=C)C(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc12;CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C","InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)","1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE","2002-07-09","2021-03-01","N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamide",""],["TSY","(2S)-2-amino-3-trisulfanylpropanoic acid","C3 H7 N O2 S3","O=C(O)C(N)CSSS;N[CH](CSSS)C(O)=O;C(C(C(=O)O)N)SSS","InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","2013-04-24","2024-09-27","3-trisulfanyl-L-alanine","2013-11-27"],["A1EBA","4-oxidanylidene-4-phenyl-butanoic acid","C10 H10 O3","OC(=O)CCC(=O)c1ccccc1;c1ccc(cc1)C(=O)CCC(=O)O","InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)","","2024-09-02","2024-09-06","4-oxidanylidene-4-phenyl-butanoic acid","2024-09-11"],["TSZ","HYDRAZINECARBOTHIOAMIDE","C H5 N3 S","S=C(N)NN;NNC(N)=S;C(=S)(N)NN","InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)","THIOSEMICARBAZIDE","2007-04-13","2020-06-17","hydrazinecarbothioamide",""],["A1EBD","piperidine-4-sulfonic acid","C5 H11 N O3 S","O[S](=O)(=O)C1CCNCC1;C1CNCCC1S(=O)(=O)O","InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","","2024-09-02","2025-03-14","piperidine-4-sulfonic acid","2025-03-19"],["TT","[(1R,3R,4S,9R,10S,12R,15AS,15BR,18BR,18CS)-10-HYDROXY-15A,15B-DIMETHYL-13,15,16,18-TETRAOXOHEXADECAHYDRO-8H-9,12-EPOXY-1,4-METHANO-2,5,7-TRIOXA-12A,14,17,18A-TETRAAZACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-3-YL]METHYL DIHYDROGEN PHOSPHATE","C21 H29 N4 O13 P","O=C2NC(=O)C6(C)C1(C(=O)NC(=O)N3C1C6N2C5OC(COP(=O)(O)O)C(OCOCC4OC3CC4O)C5)C;C[C]12[CH]3[CH]4N([CH]5C[CH](OCOC[CH]6O[CH](C[CH]6O)N3C(=O)NC1=O)[CH](CO[P](O)(O)=O)O5)C(=O)NC(=O)[C]24C;CC12C3C4C1(C(=O)NC(=O)N4C5CC(C(O5)COP(=O)(O)O)OCOCC6C(CC(N3C(=O)NC2=O)O6)O)C","InChI=1S/C21H29N4O13P/c1-20-14-15-21(20,2)17(28)23-19(30)25(15)13-4-9(11(38-13)6-36-39(31,32)33)35-7-34-5-10-8(26)3-12(37-10)24(14)18(29)22-16(20)27/h8-15,26H,3-7H2,1-2H3,(H,22,27,29)(H,23,28,30)(H2,31,32,33)/t8-,9-,10+,11+,12+,13+,14+,15-,20-,21+/m0/s1","","2006-11-23","2011-06-04","[(1R,3R,4S,9R,10S,12R,15aS,15bR,18bR,18cS)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate",""],["TT0","[(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol","C86 H172 O6","C[CH]1CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](CO)COCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](CO)COCC[CH](C)CCC1;CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)C)C)C)C)CO)C)C)C)C)C)C)C)C)CO)C)C","InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81-,82-,83+,84+,85-,86-/m0/s1","","2022-06-23","2023-03-17","[(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol","2023-03-22"],["A1EBQ","(~{E})-~{N}-methyl-3-phenyl-prop-2-enamide","C10 H11 N O","CNC(=O)C=Cc1ccccc1;CNC(=O)C=Cc1ccccc1","InChI=1S/C10H11NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+","","2024-09-09","2026-01-09","(~{E})-~{N}-methyl-3-phenyl-prop-2-enamide","2026-01-14"],["TT1","4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole","C20 H16 Cl N3 S2","Clc1ccccc1CSc3nnc(c2sccc2)n3Cc4ccccc4;Clc1ccccc1CSc2nnc(n2Cc3ccccc3)c4sccc4;c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4","InChI=1S/C20H16ClN3S2/c21-17-10-5-4-9-16(17)14-26-20-23-22-19(18-11-6-12-25-18)24(20)13-15-7-2-1-3-8-15/h1-12H,13-14H2","","2007-12-18","2011-06-04","4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole",""],["TT2","(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C35 H52 O3","OC6/C(=C)C(O)CC(=CC=C2C1CCC(C1(C)CCC2)C(/C=C/CC(O)C35CC4CC(CC(C3)C4)C5)C)C6;C[CH](C=CC[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)[CH](O)C6;CC(C=CCC(C12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)O)O)C","InChI=1S/C35H52O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h4,6,9-10,22,25-27,29-33,36-38H,2,5,7-8,11-21H2,1,3H3/b6-4+,28-10+/t22-,25-,26+,27-,29+,30-,31+,32+,33+,34+,35-/m0/s1","","2008-05-13","2011-06-04","(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["TT3","2-(3-fluorophenoxy)-N,N-dimethylacetamide","C10 H12 F N O2","CN(C)C(=O)COc1cccc(F)c1;CN(C)C(=O)COc1cccc(F)c1;CN(C)C(=O)COc1cccc(c1)F","InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3","","2023-08-28","2023-11-24","2-(3-fluorophenoxy)-N,N-dimethylacetamide","2023-11-29"],["A1EBV","(3~{S})-3,7-dimethyloct-6-enal","C10 H18 O","C[CH](CCC=C(C)C)CC=O;CC(CCC=C(C)C)CC=O","InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1","(S)-(-)-Citronellal","2024-09-10","2025-03-21","(3~{S})-3,7-dimethyloct-6-enal","2025-03-26"],["TT4","1-phenyl-1H-1,2,4-triazole-3,5-diamine","C8 H9 N5","n1c(N)n(nc1N)c2ccccc2;Nc1nn(c2ccccc2)c(N)n1;c1ccc(cc1)n2c(nc(n2)N)N","InChI=1S/C8H9N5/c9-7-11-8(10)13(12-7)6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12)","","2015-01-15","2015-08-07","1-phenyl-1H-1,2,4-triazole-3,5-diamine","2015-08-12"],["A1EBW","Adriforant","C13 H22 N6","CN[CH]1CCN(C1)c2cc(NCC3CC3)nc(N)n2;CNC1CCN(C1)c2cc(nc(n2)N)NCC3CC3","InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1","4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine","2024-09-11","2025-11-28","~{N}4-(cyclopropylmethyl)-6-[(3~{R})-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine","2025-12-03"],["TT5","[(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C31 H34 N2 O3","Oc1cc2CC3(CC3)N(C(c2cc1)c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1;Oc1ccc2[CH](N(C(=O)c3ccccc3)C4(CC4)Cc2c1)c5ccc(OCCN6CCCCC6)cc5;c1ccc(cc1)C(=O)N2C(c3ccc(cc3CC24CC4)O)c5ccc(cc5)OCCN6CCCCC6","InChI=1S/C31H34N2O3/c34-26-11-14-28-25(21-26)22-31(15-16-31)33(30(35)24-7-3-1-4-8-24)29(28)23-9-12-27(13-10-23)36-20-19-32-17-5-2-6-18-32/h1,3-4,7-14,21,29,34H,2,5-6,15-20,22H2/t29-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["TT6","4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile","C12 H11 N3 S","Cc1nc(N)sc1Cc2ccc(cc2)C#N;Cc1c(sc(n1)N)Cc2ccc(cc2)C#N","InChI=1S/C12H11N3S/c1-8-11(16-12(14)15-8)6-9-2-4-10(7-13)5-3-9/h2-5H,6H2,1H3,(H2,14,15)","","2023-01-12","2023-05-19","4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile","2023-05-24"],["TT7","4-O-phosphono-beta-D-fructofuranose","C6 H13 O9 P","OC1(OC(C(C1O)OP(=O)(O)O)CO)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O[P](O)(O)=O;C(C1C(C(C(O1)(CO)O)O)OP(=O)(O)O)O","InChI=1S/C6H13O9P/c7-1-3-4(15-16(11,12)13)5(9)6(10,2-8)14-3/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1","","2020-03-30","2020-07-17","4-O-phosphono-beta-D-fructofuranose","2020-07-29"],["A1ECB","1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole","C15 H18 N2","CC(C)(C)C1=NCCc2c1[nH]c3ccccc23;CC(C)(C)C1=NCCc2c1[nH]c3c2cccc3","InChI=1S/C15H18N2/c1-15(2,3)14-13-11(8-9-16-14)10-6-4-5-7-12(10)17-13/h4-7,17H,8-9H2,1-3H3","","2024-09-25","2025-07-18","1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole","2025-07-23"],["TT8","(2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic\nacid","C15 H22 N6 O5 S","O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O;CNc1ncnc2n(cnc12)[CH]3O[CH](CSCC[CH](N)C(O)=O)[CH](O)[CH]3O;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O","InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1","S-(N6-Methyladenosyl)-L-homocysteine","2011-07-13","2020-06-17","(2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid (non-preferred name)",""],["A1ECE","Conivaptan","C32 H26 N4 O2","Cc1[nH]c2CCN(C(=O)c3ccc(NC(=O)c4ccccc4c5ccccc5)cc3)c6ccccc6c2n1;Cc1[nH]c2c(n1)-c3ccccc3N(CC2)C(=O)c4ccc(cc4)NC(=O)c5ccccc5c6ccccc6","InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)","N-[4-[(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)carbonyl]phenyl]-2-phenyl-benzamide","2024-09-26","2025-12-05","~{N}-[4-[(2-methyl-4,5-dihydro-3~{H}-imidazo[4,5-d][1]benzazepin-6-yl)carbonyl]phenyl]-2-phenyl-benzamide","2025-12-10"],["TT9","[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate","C9 H15 N3 O11 P2 S","NC1=NC(=O)N(C=C1)[CH]2S[C](CO)(O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(S2)(CO)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H15N3O11P2S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(3-13,26-7)22-25(20,21)23-24(17,18)19/h1-2,5-7,13-15H,3H2,(H,20,21)(H2,10,11,16)(H2,17,18,19)/t5-,6+,7-,9+/m1/s1","","2023-04-29","2024-04-19","[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate","2024-04-24"],["TTA","TETRAPHENYL-ARSONIUM","C24 H20 As","c1c(cccc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4","InChI=1S/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1","","2001-01-24","2011-06-04","tetraphenylarsonium",""],["A1ECQ","(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(1~{H}-indazol-5-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","C29 H27 N3 O7","COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Nc4ccc5[nH]ncc5c4)c6cc7OCOc7cc26;COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)Nc6ccc7c(c6)cn[nH]7)OCO4","InChI=1S/C29H27N3O7/c1-34-23-7-14(8-24(35-2)28(23)36-3)25-17-9-21-22(39-13-38-21)10-18(17)27(19-12-37-29(33)26(19)25)31-16-4-5-20-15(6-16)11-30-32-20/h4-11,19,25-27,31H,12-13H2,1-3H3,(H,30,32)/t19-,25+,26-,27+/m0/s1","","2024-10-01","2025-07-25","(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(1~{H}-indazol-5-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","2025-07-30"],["TTB","4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID","C24 H28 O2","O=C(O)c1ccc(cc1)C=C(c2ccc3c(c2)C(CCC3(C)C)(C)C)C;CC(=Cc1ccc(cc1)C(O)=O)c2ccc3c(c2)C(C)(C)CCC3(C)C;CC(=Cc1ccc(cc1)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C","InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+","TTNPB","2004-09-14","2020-06-17","4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid",""],["A1ECR","Grapiprant","C26 H29 N5 O3 S","CCc1nc2c(C)nc(C)cc2n1c3ccc(CCNC(=O)N[S](=O)(=O)c4ccc(C)cc4)cc3;CCc1nc2c(nc(cc2n1c3ccc(cc3)CCNC(=O)NS(=O)(=O)c4ccc(cc4)C)C)C","InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)","1-[2-[4-(2-ethyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea; methylbenzenesulfonamide","2024-10-01","2025-11-17","1-[2-[4-(2-ethyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea","2025-10-22"],["TTC","(S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE","C23 H23 N3 O5","O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)c(c(O)cc5)CN(C)C;CC[C]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O;CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O","InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1","TOPOTECAN, HYCAMTIN","2001-12-06","2020-06-17","(4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione",""],["A1ECU","2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide","C31 H40 Cl3 N8 O3 P","COc1cc(N2CCC(CC2)N3CCN(C)CC3)c(NC(=O)C(Cl)Cl)cc1Nc4ncc(Cl)c(Nc5ccccc5[P](C)(C)=O)n4;CN1CCN(CC1)C2CCN(CC2)c3cc(c(cc3NC(=O)C(Cl)Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl)OC","InChI=1S/C31H40Cl3N8O3P/c1-40-13-15-41(16-14-40)20-9-11-42(12-10-20)25-18-26(45-2)24(17-23(25)37-30(43)28(33)34)38-31-35-19-21(32)29(39-31)36-22-7-5-6-8-27(22)46(3,4)44/h5-8,17-20,28H,9-16H2,1-4H3,(H,37,43)(H2,35,36,38,39)","","2024-10-01","2025-06-27","2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide","2025-07-02"],["TTD","CIS-SYN CYCLOBUTANE THYMINE DIMER","C20 H28 N4 O15 P2","O=C1NC(=O)C5(C4N1C2OC(C(O)C2)COP(=O)(O)OC6C(OC(N3C(=O)NC(=O)C5(C34)C)C6)COP(=O)(O)O)C;C[C]12[CH]3[CH]4N([CH]5C[CH](O[P](O)(=O)OC[CH]6O[CH](C[CH]6O)N3C(=O)NC1=O)[CH](CO[P](O)(O)=O)O5)C(=O)NC(=O)[C]24C;CC12C3C4C1(C(=O)NC(=O)N4C5CC(C(O5)COP(=O)(O)O)OP(=O)(OCC6C(CC(N3C(=O)NC2=O)O6)O)O)C","InChI=1S/C20H28N4O15P2/c1-19-13-14-20(19,2)16(27)22-18(29)24(14)12-4-8(10(38-12)6-35-40(30,31)32)39-41(33,34)36-5-9-7(25)3-11(37-9)23(13)17(28)21-15(19)26/h7-14,25H,3-6H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t7-,8-,9+,10+,11+,12+,13+,14-,19-,20+/m0/s1","[(3S,4S,9S,10R,12R,15AR,18BS,18CS)-3,7-DIHYDROXY-15A,15B-DIMETHYL-7-OXIDO-13,15,16,18-TETRAOXOHEXADECAHYDRO-1H-1,4-EPOX\nY-9,12-METHANO-6,8,11-TRIOXA-12A,14,17,18A-TETRAAZA-7-PHOSPHACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-10-YL]METHYL DIHYDROGEN PHOSPHATE","2004-03-16","2020-06-17","[(1R,3R,4S,6S,9R,10S,12R,15aS,15bR,18bR,18cS)-6,10-dihydroxy-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate",""],["TTE","PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER","C11 H19 N2 O13 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O","InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-29(22,23)26-28(20,21)5-27(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1","","2001-01-16","2011-06-04","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]thymidine",""],["A1ECY","methyl 3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoate","C19 H15 Cl2 N3 O4 S","COC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1;COC(=O)c1cccc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl","InChI=1S/C19H15Cl2N3O4S/c1-28-19(25)12-4-2-5-14(10-12)24-29(26,27)17-6-3-9-22-18(17)23-16-8-7-13(20)11-15(16)21/h2-11,24H,1H3,(H,22,23)","","2024-10-03","2025-08-15","methyl 3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoate","2025-08-20"],["TTF","4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE","C8 H5 F3 O2 S","O=C(c1sccc1)CC(=O)C(F)(F)F;FC(F)(F)C(=O)CC(=O)c1sccc1;c1cc(sc1)C(=O)CC(=O)C(F)(F)F","InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2","2-THENOYLTRIFLUOROACETONE","2005-05-18","2021-03-01","4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione",""],["A1ECZ","5-[[[(3~{S})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid","C20 H23 N O6","CCOc1ccc2OC[CH](Cc2c1)C(=O)N(C)Cc3oc(C)c(c3)C(O)=O;CCOc1ccc2c(c1)CC(CO2)C(=O)N(C)Cc3cc(c(o3)C)C(=O)O","InChI=1S/C20H23NO6/c1-4-25-15-5-6-18-13(8-15)7-14(11-26-18)19(22)21(3)10-16-9-17(20(23)24)12(2)27-16/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,23,24)/t14-/m0/s1","","2024-10-04","2025-09-26","5-[[[(3~{S})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid","2025-10-01"],["TTG","2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID","C23 H25 N3 O6","O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC;CC[C](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4c(CN(C)C)c(O)ccc4nc3C2=C1;CCC(C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O","InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1","HYDROLYZED PRODUCT OF TOPOTECAN","2002-01-15","2021-03-01","(2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid",""],["TTH","2,6,10,14-TETRAMETHYL-HEXADECA-2,6,10,14-TETRAENE","C20 H34","C(=C/CCC(=C/C)/C)(CC/C=C(/CC/C=C(C)C)C)C;CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+","","2002-11-20","2009-05-01","(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene",""],["TTI","2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)","C9 H13 N2 O8 P Te","[Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O;C1C(C(OC1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1","5-Tellurium-deoxyuridine-5'-phosphate","2008-12-03","2021-03-01","2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)",""],["A1EDE","2-chloranyl-3-(2,3-dihydro-1~{H}-inden-5-yloxy)-6-nitro-aniline","C15 H13 Cl N2 O3","Nc1c(Cl)c(Oc2ccc3CCCc3c2)ccc1[N+]([O-])=O;c1cc2c(cc1Oc3ccc(c(c3Cl)N)[N+](=O)[O-])CCC2","InChI=1S/C15H13ClN2O3/c16-14-13(7-6-12(15(14)17)18(19)20)21-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3,17H2","","2024-10-12","2026-04-10","2-chloranyl-3-(2,3-dihydro-1~{H}-inden-5-yloxy)-6-nitro-aniline","2026-04-15"],["TTJ","(2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide","C16 H19 N3 O3","C1OCCOC1C(=O)Nc2cc(nn2)c3cc(C)cc(c3)C;Cc1cc(C)cc(c1)c2cc([nH]n2)NC(=O)[CH]3COCCO3;Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)C3COCCO3)C","InChI=1S/C16H19N3O3/c1-10-5-11(2)7-12(6-10)13-8-15(19-18-13)17-16(20)14-9-21-3-4-22-14/h5-8,14H,3-4,9H2,1-2H3,(H2,17,18,19,20)/t14-/m1/s1","","2015-05-28","2015-06-12","(2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide","2015-06-17"],["TTL","TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL","C10 H13 N O","OC2c1ccccc1CCC2N;N[CH]1CCc2ccccc2[CH]1O;c1ccc2c(c1)CCC(C2O)N","InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1","TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL","2005-08-12","2020-06-17","(1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol",""],["A1EDO","(5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one","C29 H32 Cl N5 O4","COc1ccc(cc1Cl)N2[CH](CCC2=O)c3nc(cn3C[CH](C)N4CCOCC4)c5ccc6onc(C)c6c5;Cc1c2cc(ccc2on1)c3cn(c(n3)C4CCC(=O)N4c5ccc(c(c5)Cl)OC)CC(C)N6CCOCC6","InChI=1S/C29H32ClN5O4/c1-18(33-10-12-38-13-11-33)16-34-17-24(20-4-7-26-22(14-20)19(2)32-39-26)31-29(34)25-6-9-28(36)35(25)21-5-8-27(37-3)23(30)15-21/h4-5,7-8,14-15,17-18,25H,6,9-13,16H2,1-3H3/t18-,25-/m0/s1","","2024-10-14","2025-03-07","(5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one","2025-03-12"],["TTM","N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE","C12 H19 N2 O8 P","O=C1N(C(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O)CC;CCN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CCN1C(=O)C(=CN(C1=O)C2CC(C(O2)COP(=O)(O)O)O)C","InChI=1S/C12H19N2O8P/c1-3-13-11(16)7(2)5-14(12(13)17)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,3-4,6H2,1-2H3,(H2,18,19,20)/t8-,9+,10+/m0/s1","","2004-09-13","2011-06-04","3-ethylthymidine 5'-(dihydrogen phosphate)",""],["A1EDR","(1Z,3E,5E,7R,8S,10R,11R,12S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.07,15.08,12]octacosa-1,3,5,13,16,18-hexaene-20,27,28-trione","C29 H36 N2 O4","CC[CH]1[CH](C)C[CH]2[CH]1C=C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH]23)C4=O;CCC1C(CC2C1C=CC3C2C=CC=CC(=C4C(=O)C(CCCNC(=O)C=CC=C3)NC4=O)O)C","InChI=1S/C29H36N2O4/c1-3-20-18(2)17-23-21-10-5-6-12-25(32)27-28(34)24(31-29(27)35)11-8-16-30-26(33)13-7-4-9-19(21)14-15-22(20)23/h4-7,9-10,12-15,18-24,32H,3,8,11,16-17H2,1-2H3,(H,30,33)(H,31,35)/b9-4+,10-5+,12-6+,13-7+,27-25-/t18-,19+,20-,21+,22+,23-,24+/m1/s1","","2024-10-15","2025-06-13","","2025-06-18"],["TTN","TARTRONATE","C3 H2 O5","[O-]C(=O)C(O)C([O-])=O;OC(C([O-])=O)C([O-])=O;C(C(=O)[O-])(C(=O)[O-])O","InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2","","2000-02-16","2011-06-04","hydroxypropanedioate",""],["TTO","(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM","C24 H20 As O2","Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4;Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O","InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1","","2001-02-01","2011-06-04","(3,4-dihydroxyphenyl)(triphenyl)arsonium",""],["TTP","THYMIDINE-5'-TRIPHOSPHATE","C10 H17 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","thymidine 5'-(tetrahydrogen triphosphate)",""],["A1EDY","2-(4-aminophenyl)ethanoic acid","C8 H9 N O2","Nc1ccc(CC(O)=O)cc1;c1cc(ccc1CC(=O)O)N","InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)","4-Aminophenylacetic acid ","2024-10-17","2025-08-22","2-(4-aminophenyl)ethanoic acid","2025-08-27"],["A1EDZ","4-oxidanylidene-4-thiophen-2-yl-butanoic acid","C8 H8 O3 S","OC(=O)CCC(=O)c1sccc1;c1cc(sc1)C(=O)CCC(=O)O","InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)","3-(2-Thenoyl)propionic acid ","2024-10-17","2025-08-22","4-oxidanylidene-4-thiophen-2-yl-butanoic acid","2025-08-27"],["TTQ","6-AMINO-7-HYDROXY-L-TRYPTOPHAN","C11 H13 N3 O3","O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N;N[CH](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O;c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)N","InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1","","2006-08-21","2024-09-27","6-amino-7-hydroxy-L-tryptophan",""],["TTR","9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE","C14 H13 N O2","O=C3c2c(c1c(cccc1)n2C(=O)C)CCC3;CC(=O)n1c2ccccc2c3CCCC(=O)c13;CC(=O)n1c2ccccc2c3c1C(=O)CCC3","InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3","","2005-12-06","2011-06-04","9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one",""],["A1EEA","1,3-dimethylimidazolidin-2-one","C5 H10 N2 O","CN1CCN(C)C1=O;CN1CCN(C1=O)C","InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3","1,3-Dimethyl-2-imidazolidinone ","2024-10-18","2025-08-22","1,3-dimethylimidazolidin-2-one","2025-08-27"],["TTS","3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE","C17 H18 N2 O5","O=C2C=C(O)/C(=N/CCc1ccc(O)cc1)C=C2CC(C(=O)O)N;N[CH](CC1=CC(=NCCc2ccc(O)cc2)C(=CC1=O)O)C(O)=O;c1cc(ccc1CCN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N)O","InChI=1S/C17H18N2O5/c18-13(17(23)24)7-11-8-14(16(22)9-15(11)21)19-6-5-10-1-3-12(20)4-2-10/h1-4,8-9,13,20,22H,5-7,18H2,(H,23,24)/b19-14+/t13-/m0/s1","","2005-09-06","2024-09-27","3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine",""],["A1EEB","6-fluoranyl-1,2-benzothiazol-3-one","C7 H4 F N O S","Fc1ccc2C(=O)NSc2c1;c1cc2c(cc1F)SNC2=O","InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)","","2024-10-18","2024-11-01","6-fluoranyl-1,2-benzothiazol-3-one","2024-11-06"],["TTT","5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide","C20 H20 N2 O","O=C(c1cc(N)ccc1C)NC(c3c2ccccc2ccc3)C;C[CH](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc23;Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)N","InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1","","2008-08-28","2011-06-04","5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide",""],["TTU","[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C30 H32 N2 O3","CCN1CCC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCN1CC[CH](C1)Oc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36;CCN1CCC(C1)Oc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C30H32N2O3/c1-2-31-17-14-26(20-31)35-25-11-8-21(9-12-25)28-27-13-10-24(33)18-23(27)19-30(15-16-30)32(28)29(34)22-6-4-3-5-7-22/h3-13,18,26,28,33H,2,14-17,19-20H2,1H3/t26-,28+/m0/s1","","2022-07-28","2022-11-11","[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-16"],["TTV","beta-D-psicofuranose","C6 H12 O6","OC1(CO)OC(CO)C(O)C1O;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1","beta-D-psicose; D-psicose; psicose","2020-03-30","2020-07-17","beta-D-psicofuranose","2020-07-29"],["A1EEK","(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","C28 H35 F3 N4 O4","CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC(F)(F)F)Cc3ccc(c4c3cccc4)OC","InChI=1S/C28H35F3N4O4/c1-4-18(2)25-26(37)33(16-19-10-11-22(39-3)21-9-6-5-8-20(19)21)17-23-34(15-12-24(36)35(23)25)27(38)32-14-7-13-28(29,30)31/h5-6,8-11,18,23,25H,4,7,12-17H2,1-3H3,(H,32,38)/t18-,23+,25-/m0/s1","","2024-10-22","2025-02-14","(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2025-02-19"],["TTW","5'-O-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine","C10 H18 N3 O13 P3","O=C1C(=CN(C(N1)=O)C2CC(C(O2)COP(OP(NP(=O)(O)O)(O)=O)(O)=O)O)C;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O","InChI=1S/C10H18N3O13P3/c1-5-3-13(10(16)11-9(5)15)8-2-6(14)7(25-8)4-24-29(22,23)26-28(20,21)12-27(17,18)19/h3,6-8,14H,2,4H2,1H3,(H,22,23)(H,11,15,16)(H4,12,17,18,19,20,21)/t6-,7+,8+/m0/s1","","2017-12-19","2018-08-31","5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine","2018-09-05"],["A1EEQ","3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid","C18 H13 Cl2 N3 O4 S","OC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1;c1cc(cc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl)C(=O)O","InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)","","2024-10-30","2025-08-15","3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid","2025-08-20"],["TTX","TENTOXIN","C22 H30 N4 O4","O=C1NC(C(=O)N(/C(C(=O)NCC(=O)N(C)C1C)=Cc2ccccc2)C)CC(C)C;CC(C)C[CH]1NC(=O)[CH](C)N(C)C(=O)CNC(=O)C(=Cc2ccccc2)N(C)C1=O;CC1C(=O)NC(C(=O)N(C(=Cc2ccccc2)C(=O)NCC(=O)N1C)C)CC(C)C","InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1","","2002-01-14","2021-05-11","(3S,6S,12Z)-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylidene)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone",""],["A1EER","[(2R)-2-dodecanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] dodecanoate","C33 H64 O16 P2","CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCC","InChI=1S/C33H64O16P2/c1-3-5-7-9-11-13-15-17-19-21-26(34)45-23-25(47-27(35)22-20-18-16-14-12-10-8-6-4-2)24-46-51(43,44)49-33-30(38)28(36)32(29(37)31(33)39)48-50(40,41)42/h25,28-33,36-39H,3-24H2,1-2H3,(H,43,44)(H2,40,41,42)/t25-,28-,29+,30-,31-,32-,33+/m1/s1","","2024-10-30","2025-10-10","[(2~{R})-2-dodecanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] dodecanoate","2025-10-15"],["TTY","4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid","C9 H8 O4","O=C(O)c1c2c(oc1)CCCC2=O;OC(=O)c1coc2CCCC(=O)c12;c1c(c2c(o1)CCCC2=O)C(=O)O","InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)","","2012-07-23","2012-08-31","4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid","2012-08-31"],["TTZ","N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-\nD-glucopyranosylamine","C13 H22 N2 O9 S","OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO;OC[CH]1O[CH](NC2=N[CH]3[CH](S2)[CH](O)[CH](O)[C]3(O)CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)NC2=NC3C(S2)C(C(C3(CO)O)O)O)O)O)O)O","InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1","N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-\nD-glucosylamine;\nN-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-D-gluc\nosylamine;\nN-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-glucos\nylamine","2007-02-07","2020-07-17","N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-\nD-glucopyranosylamine",""],["A1EEY","Chlorpropamide","C10 H13 Cl N2 O3 S","CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1;CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)","","2024-11-01","2025-11-13","1-(4-chlorophenyl)sulfonyl-3-propyl-urea","2025-04-16"],["TU0","(E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID","C8 H7 Br O4 S","Brc1cc(C=CS(=O)(=O)O)c(O)cc1;Oc1ccc(Br)cc1C=C[S](O)(=O)=O;c1cc(c(cc1Br)C=CS(=O)(=O)O)O","InChI=1S/C8H7BrO4S/c9-7-1-2-8(10)6(5-7)3-4-14(11,12)13/h1-5,10H,(H,11,12,13)/b4-3+","","2012-10-03","2014-09-05","(E)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid","2013-02-01"],["A1EFA","6-Quinolinylmethanol","C10 H9 N O","OCc1ccc2ncccc2c1;c1cc2cc(ccc2nc1)CO","InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2","","2024-11-08","2025-08-22","quinolin-6-ylmethanol","2025-08-27"],["TU1","4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide","C29 H21 F3 N4 O2","Fc1cc(c(F)cc1)c2ccc(c(F)c2)C(=O)NC(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5;Fc1ccc(F)c(c1)c2ccc(C(=O)N[CH](Cc3c[nH]c4ccccc34)C(=O)Nc5ccncc5)c(F)c2;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F","InChI=1S/C29H21F3N4O2/c30-19-6-8-24(31)23(15-19)17-5-7-22(25(32)13-17)28(37)36-27(29(38)35-20-9-11-33-12-10-20)14-18-16-34-26-4-2-1-3-21(18)26/h1-13,15-16,27,34H,14H2,(H,36,37)(H,33,35,38)/t27-/m1/s1","","2013-05-09","2014-09-05","2',3,5'-trifluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide","2014-06-11"],["TU2","[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone","C22 H20 F N O5","C(=O)(c1cc(c(c(c1)OC)OC)OC)c2c(ccc(n2)c3cc(c(cc3)C)O)F;COc1cc(cc(OC)c1OC)C(=O)c2nc(ccc2F)c3ccc(C)c(O)c3;Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F","InChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3","","2020-06-17","2021-08-20","[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone","2021-08-25"],["A1EFB","3-(4-methylpiperazin-1-yl)aniline","C11 H17 N3","CN1CCN(CC1)c2cccc(N)c2;CN1CCN(CC1)c2cccc(c2)N","InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3","148546-99-0 ","2024-11-08","2025-08-22","3-(4-methylpiperazin-1-yl)aniline","2025-08-27"],["TU3","[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone","C21 H20 N2 O5","C(=O)(c1cc(c(c(c1)OC)OC)OC)c2cncc(n2)c3cc(c(cc3)C)O;COc1cc(cc(OC)c1OC)C(=O)c2cncc(n2)c3ccc(C)c(O)c3;Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C21H20N2O5/c1-12-5-6-13(7-17(12)24)15-10-22-11-16(23-15)20(25)14-8-18(26-2)21(28-4)19(9-14)27-3/h5-11,24H,1-4H3","","2020-06-17","2021-08-20","[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone","2021-08-25"],["A1EFE","2,1,3-benzothiadiazol-5-ylmethanol","C7 H6 N2 O S","OCc1ccc2nsnc2c1;c1cc2c(cc1CO)nsn2","InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2","89795-51-7 ","2024-11-08","2025-08-22","2,1,3-benzothiadiazol-5-ylmethanol","2025-08-27"],["TU4","3-O-octanoyl-alpha-D-glucopyranose","C14 H26 O7","C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O;CCCCCCCC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;CCCCCCCC(=O)OC1C(C(OC(C1O)O)CO)O","InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1","","2020-03-31","2020-07-17","3-O-octanoyl-alpha-D-glucopyranose","2020-07-29"],["A1EFF","(2,5-dimethylpyrazol-3-yl)methanol","C6 H10 N2 O","Cn1nc(C)cc1CO;Cc1cc(n(n1)C)CO","InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3","57012-20-1","2024-11-08","2025-08-22","(2,5-dimethylpyrazol-3-yl)methanol","2025-08-27"],["TU5","3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline","C11 H10 F3 N3","Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F;Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F","InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3","","2023-01-12","2023-05-19","3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline","2023-05-24"],["TU6","[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol","C11 H17 N3 O","Cc1cc(nc(CO)n1)N1CCCCC1;Cc1cc(nc(CO)n1)N2CCCCC2;Cc1cc(nc(n1)CO)N2CCCCC2","InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3","","2023-08-28","2023-11-24","[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol","2023-11-29"],["A1EFR","(2~{S})-1-[2-methoxy-4-[(~{E})-prop-1-enyl]phenoxy]-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol","C24 H32 N2 O3","COc1cc(C=CC)ccc1OC[CH](O)CN2CCN(CC2)Cc3ccccc3;CC=Cc1ccc(c(c1)OC)OCC(CN2CCN(CC2)Cc3ccccc3)O","InChI=1S/C24H32N2O3/c1-3-7-20-10-11-23(24(16-20)28-2)29-19-22(27)18-26-14-12-25(13-15-26)17-21-8-5-4-6-9-21/h3-11,16,22,27H,12-15,17-19H2,1-2H3/b7-3+/t22-/m0/s1","","2024-11-12","2025-11-14","(2~{S})-1-[2-methoxy-4-[(~{E})-prop-1-enyl]phenoxy]-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol","2025-11-19"],["TU7","(2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone","C17 H15 Cl2 N O2","C(c1ccc(cc1Cl)Cl)(N3CC(c2ccccc2)OCC3)=O;Clc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc3;c1ccc(cc1)C2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl","InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1","","2020-03-31","2020-07-31","(2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone","2020-08-05"],["A1EFU","(4~{E},16~{E},26~{E})-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one","C41 H58 O2","COC(C)(C)C(=O)C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(=O)C(C)(C)OC)C)C)C)C","InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3","Spheroidenone","2024-11-15","2025-03-28","(4~{E},16~{E},26~{E})-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one","2025-04-02"],["TU8","(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione","C16 H12 F N3 O2","Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O;c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)c4cc(cnc4)F","InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1","","2021-01-13","2022-02-18","(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione","2022-02-23"],["A1EFV","2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoic acid","C18 H19 N O4","CCN(CC)c1ccc(c(O)c1)C(=O)c2ccccc2C(O)=O;CCN(CC)c1ccc(c(c1)O)C(=O)c2ccccc2C(=O)O","InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)","","2024-11-15","2025-05-16","2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoic acid","2025-05-21"],["TU9","[(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C31 H34 N2 O3","CCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;CCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C31H34N2O3/c1-2-32-17-14-22(20-32)21-36-27-11-8-23(9-12-27)29-28-13-10-26(34)18-25(28)19-31(15-16-31)33(29)30(35)24-6-4-3-5-7-24/h3-13,18,22,29,34H,2,14-17,19-21H2,1H3/t22-,29-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["A1EFY","~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]-4-methoxy-benzenesulfonamide","C12 H15 N3 O3 S","COc1ccc(cc1)[S](=O)(=O)NCCc2[nH]cnc2;COc1ccc(cc1)S(=O)(=O)NCCc2cnc[nH]2","InChI=1S/C12H15N3O3S/c1-18-11-2-4-12(5-3-11)19(16,17)15-7-6-10-8-13-9-14-10/h2-5,8-9,15H,6-7H2,1H3,(H,13,14)","","2024-11-19","2025-06-20","~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]-4-methoxy-benzenesulfonamide","2025-06-25"],["OZR","N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide","C14 H16 N2 O8","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O;O[CH]1CO[CH](C=CCNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)[CH]1O;c1c(cc(c(c1C(=O)NCC=CC2C(C(CO2)O)O)O)O)[N+](=O)[O-]","InChI=1S/C14H16N2O8/c17-9-5-7(16(22)23)4-8(12(9)19)14(21)15-3-1-2-11-13(20)10(18)6-24-11/h1-2,4-5,10-11,13,17-20H,3,6H2,(H,15,21)/b2-1+/t10-,11+,13-/m0/s1","","2010-10-10","2011-06-04","(5E)-1,4-anhydro-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-D-ribo-hept-5-enitol",""],["A1EFZ","1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one","C23 H23 N3 O3","CCC(=O)c1cc(c2cc(OC)c(Cn3ccnc3)c(OC)c2)c4ccccn14;CCC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3)OC)Cn4ccnc4)OC","InChI=1S/C23H23N3O3/c1-4-21(27)20-13-17(19-7-5-6-9-26(19)20)16-11-22(28-2)18(23(12-16)29-3)14-25-10-8-24-15-25/h5-13,15H,4,14H2,1-3H3","","2024-11-19","2025-10-31","1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one","2025-11-05"],["A1EGA","2-methyl-~{N}-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide","C17 H19 F3 N4 O3 S","Cn1nc(cc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)C(F)(F)F;Cn1c(cc(n1)C(F)(F)F)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3","InChI=1S/C17H19F3N4O3S/c1-23-14(11-15(22-23)17(18,19)20)16(25)21-12-5-7-13(8-6-12)28(26,27)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,25)","","2024-11-22","2025-07-11","2-methyl-~{N}-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide","2025-07-16"],["OZS","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide","C18 H17 F3 N4 O8","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C3OC(n2cnc(c2)C(F)(F)F)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1C=CCNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C(F)(F)F;c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-]","InChI=1S/C18H17F3N4O8/c19-18(20,21)12-6-24(7-23-12)17-15(29)14(28)11(33-17)2-1-3-22-16(30)9-4-8(25(31)32)5-10(26)13(9)27/h1-2,4-7,11,14-15,17,26-29H,3H2,(H,22,30)/b2-1+/t11-,14-,15-,17-/m1/s1","","2010-10-10","2011-06-04","1-{(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-beta-D-ribo-hept-5-enofuranosyl}-4-(trifluoromethyl)-1H-imidazole",""],["OZT","(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid","C5 H7 N O4","C[CH]1OC(=O)N[CH]1C(O)=O;CC1C(NC(=O)O1)C(=O)O","InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3+/m1/s1","","2009-06-09","2024-09-27","(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid",""],["OZU","~{N}-pyridin-3-ylpropanamide","C8 H10 N2 O","CCC(=O)Nc1cccnc1;CCC(=O)Nc1cccnc1","InChI=1S/C8H10N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)","","2022-09-28","2024-09-27","~{N}-pyridin-3-ylpropanamide","2022-10-05"],["A1EGE","D-Allulose","C6 H12 O6","OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1","","2024-11-25","2025-11-21","(2~{R},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","2025-11-26"],["OZV","5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine","C10 H16 N5 O18 P5","OP4(OP(OP(=O)(OP(O)(=O)OCC3C(C(C(n2c1c(c(N)ncn1)nc2)O3)O)O)OP(O4)(=O)O)(O)=O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N","InChI=1S/C10H16N5O18P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-34(18,19)31-38(26)32-36(22,23)29-35(20,21)30-37(24,25)33-38/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1","","2019-07-22","2019-11-01","5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine","2019-11-06"],["OZW","phenylhydrazinyl phenylalanine","C15 H17 N3 O2","N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O;c1ccc(cc1)NNc2ccc(cc2)CC(C(=O)O)N","InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1","","2020-04-13","2024-09-27","(2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid","2020-07-22"],["A1EGQ","6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-pyridin-3-yl-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione","C23 H15 Cl F3 N7 O2","Cn1cc2cc(NC3=NC(=O)N(C(=O)N3Cc4cc(F)c(F)cc4F)c5cccnc5)c(Cl)cc2n1;Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)c5cccnc5","InChI=1S/C23H15ClF3N7O2/c1-32-10-13-6-20(15(24)7-19(13)31-32)29-21-30-22(35)34(14-3-2-4-28-9-14)23(36)33(21)11-12-5-17(26)18(27)8-16(12)25/h2-10H,11H2,1H3,(H,29,30,35)","","2024-12-02","2025-03-28","6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-pyridin-3-yl-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione","2025-04-02"],["OZX","2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide","C16 H12 Cl N3 O","Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1;Clc1cccc(CC(=O)Nc2cncc3ccccc23)n1;c1ccc2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl","InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21)","","2023-08-18","2023-11-03","2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["OZY","(1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside","C31 H56 N7 O18 P","O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O)O)N)C(N)CC(C5O)N)N)O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CNC[CH]2O[CH](O[CH]3[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](N)C[CH](N)[CH]4O[CH]5O[CH](CN)[CH](O)[CH](O)[CH]5N)[CH](N)[CH](O)[CH]2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC2C(C(C(C(O2)OC3C(OC(C3O)OC4C(C(CC(C4OC5C(C(C(C(O5)CN)O)O)N)N)N)O)CO)N)O)O)O","InChI=1S/C31H56N7O18P/c1-9-19(40)11(10(4-38-9)8-50-57(47,48)49)5-37-6-15-22(43)24(45)18(36)30(52-15)55-27-16(7-39)53-31(25(27)46)56-28-20(41)12(33)2-13(34)26(28)54-29-17(35)23(44)21(42)14(3-32)51-29/h4,12-18,20-31,37,39-46H,2-3,5-8,32-36H2,1H3,(H2,47,48,49)/t12-,13+,14-,15-,16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1","","2018-02-06","2018-02-16","(1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside","2018-02-21"],["OZZ","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide","C19 H19 N3 O9","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C3OC(N2C=CC(=O)C=C2)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1C=CCNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)N3C=CC(=O)C=C3;c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]","InChI=1S/C19H19N3O9/c23-11-3-6-21(7-4-11)19-17(27)16(26)14(31-19)2-1-5-20-18(28)12-8-10(22(29)30)9-13(24)15(12)25/h1-4,6-9,14,16-17,19,24-27H,5H2,(H,20,28)/b2-1+/t14-,16-,17-,19-/m1/s1","","2010-10-10","2011-06-04","1-{(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-beta-D-ribo-hept-5-enofuranosyl}pyridin-4(1H)-one",""],["P00","(2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid","C12 H18 N3 O8 P","Cc1ncc(CO[P](O)(O)=O)c(C=NOCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(C(=O)O)N)O","InChI=1S/C12H18N3O8P/c1-7-11(16)9(5-15-22-3-2-10(13)12(17)18)8(4-14-7)6-23-24(19,20)21/h4-5,10,16H,2-3,6,13H2,1H3,(H,17,18)(H2,19,20,21)/b15-5+/t10-/m0/s1","","2013-03-06","2014-03-21","(2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid","2014-03-26"],["A1EGX","Guaijaverin","C20 H18 O11","O[CH]1CO[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH]1O;c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)OC4C(C(C(CO4)O)O)O)O)O","InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1","","2024-12-03","2025-06-20","2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one","2025-06-25"],["P01","2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL","C19 H25 Cl N6 O","Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO;CC(C)[CH](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1;CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl","InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1","PURVALANOL A","2005-02-07","2020-06-17","(2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol",""],["A1EGY","Genistin","C21 H20 O10","OC[CH]1O[CH](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O","InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1","Genistein 7-O-glucoside","2024-12-03","2025-06-20","7-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one","2025-06-25"],["P02","N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide","C20 H25 F N6 O2 S2","O=S(=O)(N(CC)C)Nc3c(F)c(c1nc(sc1c2nc(ncc2)N)C(C)(C)C)ccc3;CCN(C)[S](=O)(=O)Nc1cccc(c1F)c2nc(sc2c3ccnc(N)n3)C(C)(C)C;CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N","InChI=1S/C20H25FN6O2S2/c1-6-27(5)31(28,29)26-13-9-7-8-12(15(13)21)16-17(14-10-11-23-19(22)24-14)30-18(25-16)20(2,3)4/h7-11,26H,6H2,1-5H3,(H2,22,23,24)","","2013-04-11","2015-10-23","N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide","2015-10-28"],["A1EHA","1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone","C20 H21 N O4","COc1cc(c(OC)cc1[CH](C)O)c2cc(n3ccccc23)C(C)=O;CC(c1cc(c(cc1OC)c2cc(n3c2cccc3)C(=O)C)OC)O","InChI=1S/C20H21NO4/c1-12(22)14-10-20(25-4)16(11-19(14)24-3)15-9-18(13(2)23)21-8-6-5-7-17(15)21/h5-12,22H,1-4H3/t12-/m0/s1","","2024-12-09","2025-10-31","1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone","2025-11-05"],["P03","2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol","C10 H22 O5","OCCOCCCOCCCOCCO;C(COCCCOCCO)COCCO","InChI=1S/C10H22O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h11-12H,1-10H2","","2010-02-19","2011-06-04","2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol",""],["A1EHB","(2,4-dimethyl-1,3-thiazol-5-yl)methanol","C6 H9 N O S","Cc1sc(CO)c(C)n1;Cc1c(sc(n1)C)CO","InChI=1S/C6H9NOS/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3","","2024-12-10","2025-10-03","(2,4-dimethyl-1,3-thiazol-5-yl)methanol","2025-10-08"],["P04","19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one","C19 H21 N7 O","O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)CCCC5;O=C1CCCCc2cnn3c(NC4CC4)nc(Nc5cccc(N1)c5)nc23;c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2","InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)","","2007-11-20","2011-06-04","19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one",""],["A1EHE","quinolin-5-amine","C9 H8 N2","Nc1cccc2ncccc12;c1cc(c2cccnc2c1)N","InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2","","2024-12-10","2025-10-03","quinolin-5-amine","2025-10-08"],["P05","D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide","C20 H24 N4 O2","O=C(NCc1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccncc3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccncc3)N","InChI=1S/C20H24N4O2/c21-17(13-15-5-2-1-3-6-15)20(26)24-12-4-7-18(24)19(25)23-14-16-8-10-22-11-9-16/h1-3,5-6,8-11,17-18H,4,7,12-14,21H2,(H,23,25)/t17-,18+/m1/s1","","2011-07-26","2012-06-15","D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide",""],["A1EHF","4-methylthiophene-2-carboxamide","C6 H7 N O S","Cc1csc(c1)C(N)=O;Cc1cc(sc1)C(=O)N","InChI=1S/C6H7NOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H2,7,8)","","2024-12-10","2025-10-03","4-methylthiophene-2-carboxamide","2025-10-08"],["P06","Dabrafenib","C23 H20 F3 N5 O2 S2","c4(N)nc(c1c(nc(s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)ccn4;CC(C)(C)c1sc(c2ccnc(N)n2)c(n1)c3cccc(N[S](=O)(=O)c4c(F)cccc4F)c3F;CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F","InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)","N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide","2013-04-11","2021-03-13","N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide","2015-10-28"],["A1EHQ","2-phenoxyethanamine","C8 H11 N O","NCCOc1ccccc1;c1ccc(cc1)OCCN","InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2","","2024-12-11","2025-08-22","2-phenoxyethanamine","2025-08-27"],["P07","1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE","C20 H18 N6","n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)cccc5)CC;CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12;CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5","InChI=1S/C20H18N6/c1-3-25-19-15-11-7-5-9-13(15)18-20(26(4-2)24-22-18)16-12-8-6-10-14(16)17(19)21-23-25/h5-12H,3-4H2,1-2H3/b17-14+,18-13+,19-15+,20-16+","","2015-01-22","2024-09-27","1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole (non-preferred name)","2016-01-27"],["A1EHR","5-methyl-1,2-oxazole-3-carbohydrazide","C5 H7 N3 O2","Cc1onc(c1)C(=O)NN;Cc1cc(no1)C(=O)NN","InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)","","2024-12-11","2025-08-22","5-methyl-1,2-oxazole-3-carbohydrazide","2025-08-27"],["P08","PIK-108","C22 H24 N2 O3","O=C1C=C(Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4;C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4;Cc1cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4","InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1","","2011-10-24","2014-09-05","6-methyl-2-(morpholin-4-yl)-8-[(1S)-1-(phenylamino)ethyl]-4H-chromen-4-one",""],["A1EHT","N4-Acetylcytidine","C11 H15 N3 O6","CC(=O)NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O;CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9+,10-/m1/s1","","2024-12-12","2025-08-15","~{N}-[1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]ethanamide","2025-08-20"],["P09","2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid","C22 H19 N O4","O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3;Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)cc1C;Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O","InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)","BPH-1299","2011-06-27","2020-06-17","2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid","2012-12-14"],["A1EHU","methyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate","C19 H15 F N4 O2","COC(=O)c1c(N)n(Cc2ccc(F)cc2)c3nc4ccccc4nc13;COC(=O)c1c2c(nc3ccccc3n2)n(c1N)Cc4ccc(cc4)F","InChI=1S/C19H15FN4O2/c1-26-19(25)15-16-18(23-14-5-3-2-4-13(14)22-16)24(17(15)21)10-11-6-8-12(20)9-7-11/h2-9H,10,21H2,1H3","","2024-12-12","2025-06-20","methyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate","2025-06-25"],["P0A","(2R)-2-aminoheptanedioic acid","C7 H13 N O4","O=C(O)C(N)CCCCC(=O)O;N[CH](CCCCC(O)=O)C(O)=O;C(CCC(=O)O)CC(C(=O)O)N","InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m1/s1","","2011-04-20","2012-01-20","(2R)-2-aminoheptanedioic acid",""],["A1EHX","[9-[5-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethylcarbamoyl]-2-carboxy-phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","C40 H42 N7 O7","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNC(=O)c3ccc(C(O)=O)c(c3)C4=C5C=CC(C=C5Oc6cc(ccc46)N(C)C)=[N+](C)C;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOc5c(cc(cc5OC)Cc6cnc(nc6N)N)OC","InChI=1S/C40H41N7O7/c1-46(2)25-8-11-28-31(19-25)54-32-20-26(47(3)4)9-12-29(32)35(28)30-18-23(7-10-27(30)39(49)50)38(48)43-13-14-53-36-33(51-5)16-22(17-34(36)52-6)15-24-21-44-40(42)45-37(24)41/h7-12,16-21H,13-15H2,1-6H3,(H5-,41,42,43,44,45,48,49,50)/p+1","","2024-12-13","2025-01-17","[9-[5-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethylcarbamoyl]-2-carboxy-phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium","2025-01-22"],["P0B","6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione","C13 H13 Cl F N3 O2","CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl;CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2","InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20)","","2020-04-14","2020-07-10","6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione","2020-07-15"],["A1EHY","2-(2-methylimidazol-1-yl)aniline","C10 H11 N3","Cc1nccn1c2ccccc2N;Cc1nccn1c2ccccc2N","InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3","","2024-12-15","2025-08-22","2-(2-methylimidazol-1-yl)aniline","2025-08-27"],["P0C","6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one","C12 H15 N3 O5","O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C;CC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N=C2N1;CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C(O3)CO)O)O","InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1","6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one","2014-05-16","2021-03-13","6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one","2014-08-13"],["A1EI0","1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium","C27 H45 N2","CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C;CCCCCCCCCCCCCCCCn1cc[n+](c1C)Cc2ccccc2","InChI=1S/C27H45N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3/q+1","","2025-01-02","2026-01-02","1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium","2026-01-07"],["P0D","(2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid","C12 H19 N O7 P2","O=C(O)C(CP(=O)(OP(=O)(O)O)C(N)C)Cc1ccccc1;C[CH](N)[P](=O)(C[CH](Cc1ccccc1)C(O)=O)O[P](O)(O)=O;CC(N)P(=O)(CC(Cc1ccccc1)C(=O)O)OP(=O)(O)O","InChI=1S/C12H19NO7P2/c1-9(13)21(16,20-22(17,18)19)8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H2,17,18,19)/t9-,11-,21+/m1/s1","","2012-01-12","2012-04-06","(2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid",""],["A1EI1","2-ethynyl-4-[4-(5-oxidanylpentoxy)phenyl]benzaldehyde","C20 H20 O3","OCCCCCOc1ccc(cc1)c2ccc(C=O)c(c2)C#C;C#Cc1cc(ccc1C=O)c2ccc(cc2)OCCCCCO","InChI=1S/C20H20O3/c1-2-16-14-18(6-7-19(16)15-22)17-8-10-20(11-9-17)23-13-5-3-4-12-21/h1,6-11,14-15,21H,3-5,12-13H2","","2025-01-02","2026-01-02","2-ethynyl-4-[4-(5-oxidanylpentoxy)phenyl]benzaldehyde","2026-01-07"],["A1EI5","(3~{a}~{R},5~{a}~{S},9~{a}~{S},9~{b}~{R})-3~{a},6,6,9~{a}-tetramethyl-2,4,5,5~{a},7,8,9,9~{b}-octahydro-1~{H}-benzo[e][1]benzofuran","C16 H28 O","CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)OCC[CH]23;CC1(CCCC2(C1CCC3(C2CCO3)C)C)C","InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1","(-)-ambroxide","2025-01-09","2026-01-02","(3~{a}~{R},5~{a}~{S},9~{a}~{S},9~{b}~{R})-3~{a},6,6,9~{a}-tetramethyl-2,4,5,5~{a},7,8,9,9~{b}-octahydro-1~{H}-benzo[e][1]benzofuran","2026-01-07"],["P0E","PHOSPHATIDYL ETHANOL","C39 H73 O9 P","O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCO)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1","(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE","2005-04-29","2020-06-17","(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate",""],["P0F","3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol","C15 H12 Cl F N4 O","Clc1cccc(F)c1CNc2nnc(n2)c3cc(O)ccc3;Oc1cccc(c1)c2[nH]c(NCc3c(F)cccc3Cl)nn2;c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F","InChI=1S/C15H12ClFN4O/c16-12-5-2-6-13(17)11(12)8-18-15-19-14(20-21-15)9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,18,19,20,21)","","2016-03-24","2018-01-12","3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol","2018-01-17"],["A1EIE","VE-822","C24 H25 N5 O3 S","CNCc1ccc(cc1)c2cc(on2)c3nc(cnc3N)c4ccc(cc4)[S](=O)(=O)C(C)C;CC(C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)c3cc(no3)c4ccc(cc4)CNC)N","InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)","Berzosertib","2024-12-25","2025-05-16","3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine","2025-05-21"],["P0G","8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one","C21 H26 N2 O4","O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C)(C)Cc3ccccc3C;Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(=O)COc23;Cc1ccccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O","InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/t17-/m0/s1","","2010-10-18","2011-06-04","5-hydroxy-8-[(1R)-1-hydroxy-2-{[2-methyl-1-(2-methylphenyl)propan-2-yl]amino}ethyl]-2H-1,4-benzoxazin-3(4H)-one",""],["A1EIH","(2~{Z})-2-[(1,2-dimethylquinolin-1-ium-4-yl)methylidene]-3-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzothiazole","C26 H31 N3 S","Cc1cc(C=C2Sc3ccccc3N2CCC[NH+]4CCCC4)c5ccccc5[n+]1C;Cc1cc(c2ccccc2[n+]1C)C=C3N(c4ccccc4S3)CCC[NH+]5CCCC5","InChI=1S/C26H30N3S/c1-20-18-21(22-10-3-4-11-23(22)27(20)2)19-26-29(17-9-16-28-14-7-8-15-28)24-12-5-6-13-25(24)30-26/h3-6,10-13,18-19H,7-9,14-17H2,1-2H3/q+1/p+1","","2024-12-25","2025-12-19","(2~{Z})-2-[(1,2-dimethylquinolin-1-ium-4-yl)methylidene]-3-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzothiazole","2025-12-24"],["P0H","N-[(benzyloxy)carbonyl]glycyl-L-proline","C15 H18 N2 O5","O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2;OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2;c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O","InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1","","2010-11-12","2011-07-13","N-[(benzyloxy)carbonyl]glycyl-L-proline",""],["A1EIQ","(3~{R})-3-[(3~{R})-6-fluoranyl-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]-2-methylidene-butanoic acid","C12 H12 B F O4","C[CH]([CH]1OB(O)c2cc(F)ccc12)C(=C)C(O)=O;B1(c2cc(ccc2C(O1)C(C)C(=C)C(=O)O)F)O","InChI=1S/C12H12BFO4/c1-6(7(2)12(15)16)11-9-4-3-8(14)5-10(9)13(17)18-11/h3-6,11,17H,2H2,1H3,(H,15,16)/t6-,11-/m1/s1","","2024-12-27","2025-12-26","(3~{R})-3-[(3~{R})-6-fluoranyl-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]-2-methylidene-butanoic acid","2025-12-31"],["P0I","4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide","C26 H33 N3 O3","O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC2CCCCC2)c1;O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3;c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3cccc(c3)OCCC4CCCCC4","InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31)","","2022-05-20","2022-11-18","4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide","2022-11-23"],["A1EIU","(2~{S})-2-azanyl-6-[(~{E})-[7-methyl-2,4-bis(oxidanyl)-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]methylideneamino]hexanoic acid","C15 H20 N2 O5","CC1=CC(=O)C(=CC(=C1C=NCCCC[CH](N)C(O)=O)O)O;CC1=CC(=O)C(=CC(=C1C=NCCCCC(C(=O)O)N)O)O","InChI=1S/C15H20N2O5/c1-9-6-13(19)14(20)7-12(18)10(9)8-17-5-3-2-4-11(16)15(21)22/h6-8,11,18H,2-5,16H2,1H3,(H,19,20)(H,21,22)/b17-8+/t11-/m0/s1","","2024-12-30","2026-01-02","(2~{S})-2-azanyl-6-[(~{E})-[7-methyl-2,4-bis(oxidanyl)-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]methylideneamino]hexanoic acid","2026-01-07"],["A1EIV","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H15 N O7 P S","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)[n+]2cccc(S)c2;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)S","InChI=1S/C10H14NO7PS/c12-8-7(5-17-19(14,15)16)18-10(9(8)13)11-3-1-2-6(20)4-11/h1-4,7-10,12-13H,5H2,(H2-,14,15,16,20)/p+1/t7-,8-,9-,10-/m1/s1","","2024-12-31","2025-03-07","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-ium-1-yl)oxolan-2-yl]methyl dihydrogen phosphate","2025-03-12"],["P0J","2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone","H4 O12 P4","O1P(O)(OP(O)(=O)OP(OP1(=O)O)(=O)O)=O;O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O1;OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O","InChI=1S/H4O12P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)","","2019-07-22","2019-11-01","2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone","2019-11-06"],["P0K","6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","C11 H13 N3 O3","CN(CC1=NC(=O)NC(=O)C1)Cc2occc2;CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2","InChI=1S/C11H13N3O3/c1-14(7-9-3-2-4-17-9)6-8-5-10(15)13-11(16)12-8/h2-4H,5-7H2,1H3,(H,13,15,16)","","2020-04-14","2020-07-10","6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione","2020-07-15"],["P0L","(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid","C14 H22 N O5 P","O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1;CC(C)C[CH](N)[P](O)(=O)O[CH](Cc1ccccc1)C(O)=O;CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)O","InChI=1S/C14H22NO5P/c1-10(2)8-13(15)21(18,19)20-12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1","","2010-10-28","2012-01-13","(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid",""],["A1EJ8","4-fluoranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine","C17 H16 F N3 O2 S","Fc1cccc2c1C(=N[S]2(=O)=O)Nc3ccccc3N4CCCC4;c1ccc(c(c1)NC2=NS(=O)(=O)c3c2c(ccc3)F)N4CCCC4","InChI=1S/C17H16FN3O2S/c18-12-6-5-9-15-16(12)17(20-24(15,22)23)19-13-7-1-2-8-14(13)21-10-3-4-11-21/h1-2,5-9H,3-4,10-11H2,(H,19,20)","","2025-01-19","2025-10-10","4-fluoranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine","2025-10-15"],["P0M","(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid","C12 H11 N O5","N[CH](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O;c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N","InChI=1S/C12H11NO5/c13-9(12(16)17)3-6-4-11(15)18-10-5-7(14)1-2-8(6)10/h1-2,4-5,9,14H,3,13H2,(H,16,17)/t9-/m0/s1","","2022-09-28","2023-09-29","(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid","2023-10-04"],["P0N","(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine","C12 H16 Cl N O","CC1(C)CO[CH](CN1)c2ccccc2Cl;CC1(COC(CN1)c2ccccc2Cl)C","InChI=1S/C12H16ClNO/c1-12(2)8-15-11(7-14-12)9-5-3-4-6-10(9)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1","","2020-04-14","2020-07-10","(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine","2020-07-15"],["P0O","(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C29 H47 N5 O5","CC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C;CC(=O)C=CC(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C","InChI=1S/C29H47N5O5/c1-16(35)10-11-18(14-17-12-13-30-23(17)36)31-24(37)21-20-19(29(20,8)9)15-34(21)25(38)22(27(2,3)4)32-26(39)33-28(5,6)7/h10-11,17-22H,12-15H2,1-9H3,(H,30,36)(H,31,37)(H2,32,33,39)/b11-10+/t17-,18+,19-,20-,21-,22+/m0/s1","","2023-02-28","2023-10-13","(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-5-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-18"],["A1EJD","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-diphosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate","C9 H15 N2 O15 P3","O[P](O)(=O)OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(13)10-5)8-7(26-29(20,21)22)6(25-28(17,18)19)4(24-8)3-23-27(14,15)16/h1-2,4,6-8H,3H2,(H,10,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,8-/m1/s1","3h-Uridine tri-phosphate","2025-01-14","2025-11-07","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-diphosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate","2025-11-12"],["P0P","[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE","C8 H12 N O7 P","O=P(O)(O)OCc1cnc(c(O)c1C(O)O)C;Cc1ncc(CO[P](O)(O)=O)c(C(O)O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O","InChI=1S/C8H12NO7P/c1-4-7(10)6(8(11)12)5(2-9-4)3-16-17(13,14)15/h2,8,10-12H,3H2,1H3,(H2,13,14,15)","","2006-04-14","2011-06-04","[4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate",""],["A1EJQ","ethyl (2~{R},3~{S})-3-methyl-3-phenyl-oxirane-2-carboxylate","C12 H14 O3","CCOC(=O)[CH]1O[C]1(C)c2ccccc2;CCOC(=O)C1C(O1)(C)c2ccccc2","InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12-/m0/s1","Ethyl methylphenylglycidate, (E)-; trans-Ethyl 3-Methyl-3-phenylglycidate","2025-01-16","2026-01-23","ethyl (2~{R},3~{S})-3-methyl-3-phenyl-oxirane-2-carboxylate","2026-01-28"],["P0Q","(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine","C13 H18 Cl N O","C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2;CC1C(OCC(N1)(C)C)c2cccc(c2)Cl","InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1","","2020-04-14","2020-07-10","(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine","2020-07-15"],["P0S","2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone","H6 O18 P6","O=P1(OP(=O)(O)OP(O)(OP(OP(OP(O)(O1)=O)(O)=O)(=O)O)=O)O;O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O1;OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O","InChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)","","2019-07-22","2019-11-01","2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone","2019-11-06"],["P0T","cannabidiol","C21 H30 O2","C(=C)(C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC)O;CCCCCc1cc(O)c([CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1;CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O","InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1","(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol","2019-01-16","2021-03-13","(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol","2019-10-16"],["A1EJU","3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one","C16 H12 F N5 O2","COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N;COc1ccnc2c1NC(=O)C(=C2c3ccc(c4c3c[nH]n4)F)N","InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23)","","2025-01-17","2025-04-11","3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one","2025-04-16"],["P0U","(1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one","C14 H17 N O3","COc1cc2C=CN(C)C(=O)[CH](C)c2cc1OC;CC1c2cc(c(cc2C=CN(C1=O)C)OC)OC","InChI=1S/C14H17NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h5-9H,1-4H3/t9-/m1/s1","","2022-09-29","2022-11-25","(1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one","2022-11-30"],["A1EJV","3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one","C15 H9 Cl F N5 O","NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O;c1cc(c2c(c1C3=C(C(=O)Nc4c3ncc(c4)Cl)N)cn[nH]2)F","InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23)","","2025-01-17","2025-04-11","3-azanyl-7-chloranyl-4-(7-fluoranyl-1~{H}-indazol-4-yl)-1~{H}-1,5-naphthyridin-2-one","2025-04-16"],["P0V","9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine","C24 H28 N8 O6","c1c(cccc1C#CCN(CC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O;N[CH](CCN(CC#Cc1cccc(c1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1cc(cc(c1)C(=O)N)C#CCN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C24H28N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18+,19+,23+/m1/s1","","2019-07-22","2019-11-22","9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine","2019-11-27"],["A1EJW","3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one","C15 H12 Cl N3 O2","Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23;Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O","InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)","","2025-01-17","2025-05-09","3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1~{H}-1,5-naphthyridin-2-one","2025-05-14"],["P0W","6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione","C16 H17 N5 O2","CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3;CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3","InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23)","","2020-04-14","2020-07-10","6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione","2020-07-15"],["A1EJZ","(2~{S})-6-[(~{E})-[(2~{S},3~{R},4~{R},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexylidene]amino]-2-azanyl-hexanoic acid","C14 H27 N3 O7","CC(=O)N[CH](C=NCCCC[CH](N)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C=NCCCCC(C(=O)O)N)C(C(C(CO)O)O)O","InChI=1S/C14H27N3O7/c1-8(19)17-10(12(21)13(22)11(20)7-18)6-16-5-3-2-4-9(15)14(23)24/h6,9-13,18,20-22H,2-5,7,15H2,1H3,(H,17,19)(H,23,24)/b16-6+/t9-,10-,11+,12+,13-/m0/s1","","2025-01-17","2025-09-19","(2~{S})-6-[(~{E})-[(2~{S},3~{R},4~{R},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexylidene]amino]-2-azanyl-hexanoic acid","2025-09-24"],["P0X","4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one","C20 H16 Cl N3 O3","O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1;Clc1cccc(c1)N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34;c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl","InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25)","","2023-08-18","2023-11-03","4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one","2023-11-08"],["P0Y","(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid","C22 H29 N3 O3 S","O=C(O)C3N(CC(O)C(N)Cc1ccccc1)CCC(SCc2cccnc2)C3;N[CH](Cc1ccccc1)[CH](O)CN2CC[CH](C[CH]2C(O)=O)SCc3cccnc3;c1ccc(cc1)CC(C(CN2CCC(CC2C(=O)O)SCc3cccnc3)O)N","InChI=1S/C22H29N3O3S/c23-19(11-16-5-2-1-3-6-16)21(26)14-25-10-8-18(12-20(25)22(27)28)29-15-17-7-4-9-24-13-17/h1-7,9,13,18-21,26H,8,10-12,14-15,23H2,(H,27,28)/t18-,19+,20+,21-/m1/s1","","2010-11-03","2012-01-13","(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid",""],["A1EKB","4-fluoranyl-~{N}-(3-fluoranyl-2-pyrrolidin-1-yl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine","C17 H15 F2 N3 O2 S","Fc1cccc(NC2=N[S](=O)(=O)c3cccc(F)c23)c1N4CCCC4;c1cc(c(c(c1)F)N2CCCC2)NC3=NS(=O)(=O)c4c3c(ccc4)F","InChI=1S/C17H15F2N3O2S/c18-11-5-4-8-14-15(11)17(21-25(14,23)24)20-13-7-3-6-12(19)16(13)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,20,21)","","2025-01-19","2025-10-10","4-fluoranyl-~{N}-(3-fluoranyl-2-pyrrolidin-1-yl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine","2025-10-15"],["A1EKC","(3~{R})-3-[(3~{R})-4-fluoranyl-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]-2-methylidene-butanoic acid","C12 H12 B F O4","C[CH]([CH]1OB(O)c2cccc(F)c12)C(=C)C(O)=O;B1(c2cccc(c2C(O1)C(C)C(=C)C(=O)O)F)O","InChI=1S/C12H12BFO4/c1-6(7(2)12(15)16)11-10-8(13(17)18-11)4-3-5-9(10)14/h3-6,11,17H,2H2,1H3,(H,15,16)/t6-,11-/m1/s1","","2025-01-19","2025-12-26","(3~{R})-3-[(3~{R})-4-fluoranyl-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]-2-methylidene-butanoic acid","2025-12-31"],["P0Z","3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide","C17 H25 N3 O3","CNC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2;CC1(COC(CN1CCC(=O)NC(=O)NC)c2ccccc2)C","InChI=1S/C17H25N3O3/c1-17(2)12-23-14(13-7-5-4-6-8-13)11-20(17)10-9-15(21)19-16(22)18-3/h4-8,14H,9-12H2,1-3H3,(H2,18,19,21,22)/t14-/m0/s1","","2020-04-14","2020-07-10","3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide","2020-07-15"],["P10","[1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER","C27 H29 N3 O5","O=C(CO)C(NC(=O)C(NC(=O)OCc1cccnc1)Cc2ccccc2)CCc3ccccc3;OCC(=O)[CH](CCc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3cccnc3;c1ccc(cc1)CCC(C(=O)CO)NC(=O)C(Cc2ccccc2)NC(=O)OCc3cccnc3","InChI=1S/C27H29N3O5/c31-18-25(32)23(14-13-20-8-3-1-4-9-20)29-26(33)24(16-21-10-5-2-6-11-21)30-27(34)35-19-22-12-7-15-28-17-22/h1-12,15,17,23-24,31H,13-14,16,18-19H2,(H,29,33)(H,30,34)/t23-,24-/m0/s1","","2002-08-19","2011-06-04","N-[(1S)-3-hydroxy-2-oxo-1-(2-phenylethyl)propyl]-Nalpha-[(pyridin-3-ylmethoxy)carbonyl]-L-phenylalaninamide",""],["A1EKF","~{N}-[(4-hydroxyphenyl)methyl]-~{N}-[(2~{R})-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]morpholine-4-carboxamide","C21 H26 N2 O5","COc1ccc(cc1)[CH](O)CN(Cc2ccc(O)cc2)C(=O)N3CCOCC3;COc1ccc(cc1)C(CN(Cc2ccc(cc2)O)C(=O)N3CCOCC3)O","InChI=1S/C21H26N2O5/c1-27-19-8-4-17(5-9-19)20(25)15-23(14-16-2-6-18(24)7-3-16)21(26)22-10-12-28-13-11-22/h2-9,20,24-25H,10-15H2,1H3/t20-/m0/s1","","2025-01-20","2026-01-09","~{N}-[(4-hydroxyphenyl)methyl]-~{N}-[(2~{R})-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]morpholine-4-carboxamide","2026-01-14"],["P11","IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE","C41 H56 N17 O8","O=C(c3nc(NC(=O)CCNC(=O)c2cc(NC(=O)c1nccn1C)cn2C)cn3C)NCCC(=O)Nc5nc(C(=O)Nc4cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c4)C)n(c5)C;Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)NCCC(=O)Nc3cn(C)c(n3)C(=O)NCCC(=O)Nc4cn(C)c(n4)C(=O)Nc5cn(C)c(c5)C(=O)NCCC(=O)NCCC[NH+](C)C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C","InChI=1S/C41H55N17O8/c1-53(2)17-8-12-42-31(59)9-13-44-37(62)28-20-26(22-56(28)5)48-41(66)36-52-30(24-58(36)7)50-33(61)11-15-46-39(64)35-51-29(23-57(35)6)49-32(60)10-14-45-38(63)27-19-25(21-55(27)4)47-40(65)34-43-16-18-54(34)3/h16,18-24H,8-15,17H2,1-7H3,(H,42,59)(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,48,66)(H,49,60)(H,50,61)/p+1","","2002-04-24","2011-06-04","N,N-dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl)amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}propan-1-aminium (non-preferred name)",""],["A1EKQ","(S)-N-((2R,3S,3a'R,4R,11'S)-3-((2-amino-6-oxo-1,6-dihydro-7H-purin-7-yl)methyl)-3,7',11'-trihydroxy-5',8'-dioxo-3a',4,5,5',8',9',10',11'-octahydro-3H,3'H-spiro[furan-2,2'-furo[2,3,4-de]naphtho[2,3-h]chromen]-4-yl)-1-methylpiperidine-2-carboxamide","C34 H35 N7 O10","CN1CCCC[CH]1C(=O)N[CH]2CO[C]3(C[CH]4OC(=O)c5cc6c(O)c7C(=O)CC[CH](O)c7cc6c(O3)c45)[C]2(O)Cn8cnc9NC(=NC(=O)c89)N;CN1CCCCC1C(=O)NC2COC3(C2(Cn4cnc5c4C(=O)N=C(N5)N)O)CC6c7c(cc8c(c7O3)cc9c(c8O)C(=O)CCC9O)C(=O)O6","InChI=1S/C34H35N7O10/c1-40-7-3-2-4-18(40)29(45)37-22-11-49-34(33(22,48)12-41-13-36-28-25(41)30(46)39-32(35)38-28)10-21-24-17(31(47)50-21)8-14-15(27(24)51-34)9-16-19(42)5-6-20(43)23(16)26(14)44/h8-9,13,18-19,21-22,42,44,48H,2-7,10-12H2,1H3,(H,37,45)(H3,35,38,39,46)/t18-,19-,21+,22+,33-,34+/m0/s1","","2025-01-24","2025-08-15","","2025-08-20"],["P12","4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM","C16 H29 N5 O2","[N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2;COc1ccc(OCCC[NH3+])c(C[NH+]2CCN(CC2)C(N)=N)c1;[H]N=C(N)N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC","InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2","RBT205 INHIBITOR","2003-12-19","2021-03-01","1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium",""],["A1EKR","4-[5-chloranyl-2-[[3-[(dimethylamino)methyl]phenyl]amino]pyrimidin-4-yl]-~{N}-morpholin-4-yl-thiophene-2-carboxamide","C22 H25 Cl N6 O2 S","CN(C)Cc1cccc(Nc2ncc(Cl)c(n2)c3csc(c3)C(=O)NN4CCOCC4)c1;CN(C)Cc1cccc(c1)Nc2ncc(c(n2)c3cc(sc3)C(=O)NN4CCOCC4)Cl","InChI=1S/C22H25ClN6O2S/c1-28(2)13-15-4-3-5-17(10-15)25-22-24-12-18(23)20(26-22)16-11-19(32-14-16)21(30)27-29-6-8-31-9-7-29/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,27,30)(H,24,25,26)","","2025-01-25","2025-03-28","4-[5-chloranyl-2-[[3-[(dimethylamino)methyl]phenyl]amino]pyrimidin-4-yl]-~{N}-morpholin-4-yl-thiophene-2-carboxamide","2025-04-02"],["P13","N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE","C24 H33 N5 O","O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN;NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc4c3;c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN","InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2","RBT550 INHIBITOR","2003-12-10","2020-06-17","3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine",""],["P14","N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE","C16 H31 N7 O2","O(c1ccc(OC)cc1CNCCCCNC(=[NH2+])N)CCNC(=[NH2+])N;COc1ccc(OCCNC(N)=[NH2+])c(CNCCCCNC(N)=[NH2+])c1;COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N","InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)/p+2","RBT203 INHIBITOR","2003-12-18","2020-06-17","amino{[2-(2-{[(4-{[amino(iminio)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}methaniminium",""],["A1EKV","3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide","C18 H16 Cl2 F3 N3 O","Cn1nc(C(F)F)c(c1F)C(=O)N(CC(=C)c2ccc(Cl)cc2Cl)C3CC3;Cn1c(c(c(n1)C(F)F)C(=O)N(CC(=C)c2ccc(cc2Cl)Cl)C3CC3)F","InChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3","","2025-01-26","2025-08-29","3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide","2025-09-03"],["P15","2,5,8,11,14,17-HEXAOXANONADECAN-19-OL","C13 H28 O7","O(CCOC)CCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCO","InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3","","2006-06-26","2011-06-04","2,5,8,11,14,17-hexaoxanonadecan-19-ol",""],["A1EKY","3-(4-phenoxyphenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine","C22 H22 N6 O","Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)C5CCNCC5;c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4n(n3)C5CCNCC5)N","InChI=1S/C22H22N6O/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)27-28(22(19)26-14-25-21)16-10-12-24-13-11-16/h1-9,14,16,24H,10-13H2,(H2,23,25,26)","N-piperidine Ibrutinib","2025-01-29","2025-05-02","3-(4-phenoxyphenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine","2025-05-07"],["P16","6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE","C21 H16 Cl2 N4 O2","Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C;CN1C(=O)C(=Cc2cnc(Nc3cccc(CO)c3)nc12)c4c(Cl)cccc4Cl;CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl","InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)","PD166326","2003-03-18","2021-03-01","6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one",""],["A1EKZ","(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate","C22 H20 O3","C=CCCOc1c(ccc2ccccc12)C(=O)OCc3ccccc3;C=CCCOc1c2ccccc2ccc1C(=O)OCc3ccccc3","InChI=1S/C22H20O3/c1-2-3-15-24-21-19-12-8-7-11-18(19)13-14-20(21)22(23)25-16-17-9-5-4-6-10-17/h2,4-14H,1,3,15-16H2","benzyl 1-(but-3-en-1-yloxy)-2-naphthoate","2025-01-29","2025-10-17","(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate","2025-10-22"],["P17","6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE","C21 H16 Cl2 N4 O S","Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C;CSc1cccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)c1;CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl","InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)","PD173955","2002-07-31","2021-03-01","6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one",""],["P18","3-hydroxy-1-phenylpropan-1-one","C9 H10 O2","O=C(c1ccccc1)CCO;OCCC(=O)c1ccccc1;c1ccc(cc1)C(=O)CCO","InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2","","2012-08-02","2024-09-27","3-hydroxy-1-phenylpropan-1-one","2013-01-11"],["P19","N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE","C17 H14 N6","n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4;N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2;c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4","InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)","","2007-05-11","2011-06-04","N,N'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine",""],["P1A","2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE","C27 H44 O6","O=C1C=C3C(C2(CC(O)C(O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CCC34O;CC(C)CC[CH](O)[C](C)(O)[CH]1CC[C]2(O)C3=CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C;CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O","InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1","PONASTERONE A; 25-DEOXYECDYSTERONE; 25-DEOXY-20-HYDROXYECDYSONE,","2003-09-25","2020-05-27","(2alpha,3alpha,5alpha,22R)-2,3,14,20,22-pentahydroxycholest-7-en-6-one",""],["A1ELF","N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide","C20 H16 N4 O3 S2","Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccccc4c3)nn2)c1;Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3","InChI=1S/C20H16N4O3S2/c1-13-5-4-8-17(11-13)24-29(26,27)20-23-22-19(28-20)21-18(25)16-10-9-14-6-2-3-7-15(14)12-16/h2-12,24H,1H3,(H,21,22,25)","","2025-02-07","2025-12-19","~{N}-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide","2025-12-24"],["A1ELI","6-bromanyl-3-(1-methylpyrazol-4-yl)-5-[(3~{S})-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine","C15 H18 Br N7","Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[CH]4CCCNC4;Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)C4CCCNC4","InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m0/s1","","2025-02-07","2026-03-06","6-bromanyl-3-(1-methylpyrazol-4-yl)-5-[(3~{S})-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine","2026-03-11"],["P1B","(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione","C19 H20 N2 O3 S","O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3;CCc1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1;CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3","InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1","PIOGLITAZONE","2010-07-14","2020-06-17","(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione",""],["P1C","DEACETOXYCEPHALOSPORIN-C","C14 H19 N3 O6 S","O=C2N1C(=C(CSC1C2NC(=O)CCCC(C(=O)O)N)C)C(=O)O;CC1=C(N2[CH](SC1)[CH](NC(=O)CCC[CH](N)C(O)=O)C2=O)C(O)=O;CC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O","InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1","","2003-09-17","2011-06-04","(6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["A1ELJ","(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile","C24 H21 Cl N4 O2","COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5ccc(cc5c(N2)c34)C#N)C(C)=O;CC(=O)N1CCc2c3c(c4cc(ccc4n2)C#N)NC(CC31)c5ccc(c(c5)Cl)OC","InChI=1S/C24H21ClN4O2/c1-13(30)29-8-7-19-23-21(29)11-20(15-4-6-22(31-2)17(25)10-15)28-24(23)16-9-14(12-26)3-5-18(16)27-19/h3-6,9-10,20-21,28H,7-8,11H2,1-2H3","","2025-02-07","2025-06-13","(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile","2025-06-18"],["P1D","((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO\nL-2-YL)METHYLPHOSPHONIC ACID","C13 H16 N3 O8 P","O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO;OC[CH]1O[CH]([CH]2O[CH](C[P](O)(O)=O)O[CH]12)c3c[nH]c4C(=O)NC=Nc34;c1c(c2c([nH]1)C(=O)NC=N2)C3C4C(C(O3)CO)OC(O4)CP(=O)(O)O","InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1","9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE","2005-08-04","2020-06-17","(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol",""],["A1ELV","Loganin","C17 H26 O10","COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]3[CH](C)[CH](O)C[CH]13;CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1","methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","2025-02-08","2026-01-09","methyl (1~{S},4~{a}~{S},6~{S},7~{R},7~{a}~{S})-1-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4~{a},5,6,7,7~{a}-hexahydrocyclopenta[c]pyran-4-carboxylate","2026-01-14"],["P1E","4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide","C19 H25 F3 N6 O2 S","O=S(=O)(NC)c1ccc(cc1)Nc2nc(c(cn2)C(F)(F)F)NC3CCCC3N(C)C;CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[CH]3CCC[CH]3N(C)C)n2)C(F)(F)F)cc1;CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC3CCCC3N(C)C)C(F)(F)F","InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1","","2009-04-17","2011-06-04","4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide",""],["P1F","2-(2-azanylphenoxy)-5-hexyl-phenol","C18 H23 N O2","O(c1c(N)cccc1)c2ccc(cc2O)CCCCCC;CCCCCCc1ccc(Oc2ccccc2N)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2N","InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3","","2013-05-15","2014-09-05","2-(2-aminophenoxy)-5-hexylphenol","2013-06-05"],["A1ELY","N-phenyl-7-(pyridin-4-ylmethoxy)furo[2,3-d]pyridazin-4-amine","C18 H14 N4 O2","C(Oc1nnc(Nc2ccccc2)c3ccoc13)c4ccncc4;c1ccc(cc1)Nc2c3ccoc3c(nn2)OCc4ccncc4","InChI=1S/C18H14N4O2/c1-2-4-14(5-3-1)20-17-15-8-11-23-16(15)18(22-21-17)24-12-13-6-9-19-10-7-13/h1-11H,12H2,(H,20,21)","","2025-02-12","2026-02-06","~{N}-phenyl-7-(pyridin-4-ylmethoxy)furo[2,3-d]pyridazin-4-amine","2026-02-11"],["P1G","((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID","C12 H16 N5 O8 P","O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)CP(=O)(O)O)CO)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[CH](C[P](O)(O)=O)O[CH]34;c1nc2c(n1C3C4C(C(O3)CO)OC(O4)CP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C12H16N5O8P/c13-12-15-9-6(10(19)16-12)14-3-17(9)11-8-7(4(1-18)23-11)24-5(25-8)2-26(20,21)22/h3-5,7-8,11,18H,1-2H2,(H2,20,21,22)(H3,13,15,16,19)/t4-,5-,7-,8-,11-/m1/s1","GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE","2005-08-04","2021-03-13","2',3'-O-[(1R)-2-phosphonoethylidene]guanosine",""],["A1ELZ","[(2R,3R,4R,5R)-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-(fluoranylmethyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C12 H17 F2 N6 O6 P","CNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[C]3(F)CF;CNc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)(CF)F","InChI=1S/C12H17F2N6O6P/c1-16-8-6-9(19-11(15)18-8)20(4-17-6)10-12(14,3-13)7(21)5(26-10)2-25-27(22,23)24/h4-5,7,10,21H,2-3H2,1H3,(H2,22,23,24)(H3,15,16,18,19)/t5-,7-,10-,12-/m1/s1","","2025-02-13","2025-03-17","[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-(fluoranylmethyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-03-19"],["P1H","{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M\nETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C30 H38 N8 O15 P2","CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;CCCc1cc(ccn1)C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1","2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE","2006-11-10","2020-06-17","[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["P1J","N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine","C8 H9 N3 O5","C(C(O)=O)CNC(C=1NC(=O)NC(C=1)=O)=O;OC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1;C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O","InChI=1S/C8H9N3O5/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16)","","2019-07-23","2020-03-27","N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine","2020-04-01"],["P1K","phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid","C6 H11 B F3 N4 O7 P S","OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O;B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O","InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18)","","2019-08-16","2024-09-27","phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid","2020-06-24"],["A1EMC","2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol","C31 H42 O2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1c(C)c(O)c2ccccc2c1O;Cc1c(c(c2ccccc2c1O)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C31H42O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20,32-33H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+","Menahydroquinone-4; Menaquinol-4; Mkh-4 cpd","2025-02-21","2025-10-03","2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol","2025-10-08"],["P1L","S-PALMITOYL-L-CYSTEINE","C19 H37 N O3 S","O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)SC[CH](N)C(O)=O;CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)N","InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1","","2005-09-03","2024-09-27","S-hexadecanoyl-L-cysteine",""],["A1EMF","3-phenyl-5-prop-2-enylsulfanyl-4~{H}-1,2,4-triazole","C11 H11 N3 S","C=CCSc1[nH]c(nn1)c2ccccc2;C=CCSc1[nH]c(nn1)c2ccccc2","InChI=1S/C11H11N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,13,14)","","2025-02-27","2026-02-27","3-phenyl-5-prop-2-enylsulfanyl-4~{H}-1,2,4-triazole","2026-03-04"],["P1M","(3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine","C15 H21 Br N2","C2(CC1CCCC(N1C)C2)Nc3c(Br)cccc3;CN1[CH]2CCC[CH]1C[CH](C2)Nc3ccccc3Br;CN1C2CCCC1CC(C2)Nc3ccccc3Br","InChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3/t11-,12+,13-","","2019-07-24","2019-09-06","(3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine","2019-09-11"],["P1O","1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C28 H57 N O8 P","O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC","InChI=1S/C28H56NO8P/c1-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29(3,4)5)37-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/p+1/t26-/m1/s1","","2004-07-27","2011-06-04","(4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphanonadecan-1-aminium 4-oxide",""],["A1EMU","3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole","C22 H22 Br N5 O S","COc1ccc(cc1)N2CCN(CC2)Cc3sc4nnc(n4c3)c5ccc(Br)cc5;COc1ccc(cc1)N2CCN(CC2)Cc3cn4c(nnc4s3)c5ccc(cc5)Br","InChI=1S/C22H22BrN5OS/c1-29-19-8-6-18(7-9-19)27-12-10-26(11-13-27)14-20-15-28-21(24-25-22(28)30-20)16-2-4-17(23)5-3-16/h2-9,15H,10-14H2,1H3","","2025-03-07","2025-08-08","3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole","2025-08-13"],["P1P","3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE","C3 H6 O4 P","[O-][PH2+](=O)OCCC[O-];[O-]CCCO[P+]([O-])=O;C(C[O-])CO[P+](=O)[O-]","InChI=1S/C3H6O4P/c4-2-1-3-7-8(5)6/h1-3H2/q-1","PROPYL-1-PHOSPHATE","2005-09-15","2022-04-07","(3-oxidopropoxy)(oxo)phosphoniumolate",""],["P1Q","1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol","C15 H22 Cl N O3","COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2;CC1COC(CN1CC(COC)O)c2cccc(c2)Cl","InChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14?,15-/m0/s1","","2020-04-14","2020-07-10","1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol","2020-07-15"],["P1R","PYRIMIDINE","C4 H4 N2","n1cccnc1;c1cncnc1;c1cncnc1","InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H","","2006-05-02","2011-06-04","pyrimidine",""],["A1EMZ","(1Z,4R,12S,14S,17Z)-12-hydroxy-19,19-dimethyl-5-(2-methylbut-3-en-2-yl)-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione","C32 H32 N4 O3","CC(C)(C=C)N1[CH]2N3[CH](C[C]2(O)c4ccccc14)C(=O)N5C=CC(C)(C)c6[nH]c7ccccc7c6C=C5C3=O;CC1(C=CN2C(=Cc3c1[nH]c4c3cccc4)C(=O)N5C(C2=O)CC6(C5N(c7c6cccc7)C(C)(C)C=C)O)C","InChI=1S/C32H32N4O3/c1-6-31(4,5)36-23-14-10-8-12-21(23)32(39)18-25-27(37)34-16-15-30(2,3)26-20(19-11-7-9-13-22(19)33-26)17-24(34)28(38)35(25)29(32)36/h6-17,25,29,33,39H,1,18H2,2-5H3/t25-,29+,32+/m1/s1","","2025-03-12","2026-02-27","","2026-03-04"],["P1S","(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL","C17 H14 O6","O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO;OCc1ccc2[CH]3Oc4cc5OCOc5cc4[C]3(O)COc2c1;c1cc2c(cc1CO)OCC3(C2Oc4c3cc5c(c4)OCO5)O","InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1","PISATIN","2005-04-28","2021-03-01","(6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol",""],["A1ENA","6-morpholin-4-ylpyridazin-3-amine","C8 H12 N4 O","Nc1ccc(nn1)N2CCOCC2;c1cc(nnc1N)N2CCOCC2","InChI=1S/C8H12N4O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10)","","2025-03-18","2026-03-13","6-morpholin-4-ylpyridazin-3-amine","2026-03-18"],["P1T","2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID","C11 H15 N2 O7 P","O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CNC(=C)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O","InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19)","","2006-09-05","2024-09-27","2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]prop-2-enoic acid",""],["P1U","5-(4-chlorophenyl)furan-2-carboxylic acid","C11 H7 Cl O3","OC(=O)c1ccc(o1)c1ccc(Cl)cc1;OC(=O)c1oc(cc1)c2ccc(Cl)cc2;c1cc(ccc1c2ccc(o2)C(=O)O)Cl","InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)","","2022-05-23","2024-03-01","5-(4-chlorophenyl)furan-2-carboxylic acid","2024-03-06"],["P1V","(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid","C9 H16 N4 O2","Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1;Cc1[nH]nc(n1)CCCCC(C(=O)O)N","InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1","","2022-09-29","2024-09-27","(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid","2023-01-11"],["P1W","3-methylbut-2-en-1-ol","C5 H10 O","CC(C)=CCO;CC(=CCO)C","InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3","","2020-04-14","2020-06-05","3-methylbut-2-en-1-ol","2020-06-10"],["A1ENQ","4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine","C15 H12 N6 O","Nc1nonc1c2nc3ccccc3n2Cc4ccncc4;c1ccc2c(c1)nc(n2Cc3ccncc3)c4c(non4)N","InChI=1S/C15H12N6O/c16-14-13(19-22-20-14)15-18-11-3-1-2-4-12(11)21(15)9-10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,20)","Kcnk13-IN-1","2025-03-19","2026-03-27","4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine","2026-04-01"],["P1X","2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","C19 H18 Cl N5 O4","OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl)cc3)nn2;c1cc(ccc1CCCn2cc(nn2)c3cc(c(nc3)C(=O)NCC(=O)O)O)Cl","InChI=1S/C19H18ClN5O4/c20-14-5-3-12(4-6-14)2-1-7-25-11-15(23-24-25)13-8-16(26)18(21-9-13)19(29)22-10-17(27)28/h3-6,8-9,11,26H,1-2,7,10H2,(H,22,29)(H,27,28)","(5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine","2023-02-28","2024-02-23","2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","2024-02-28"],["A1ENR","2-[(4-bromophenyl)methylsulfanyl]-~{N}-[4-[(2~{S})-butan-2-yl]phenyl]ethanamide","C19 H22 Br N O S","CC[CH](C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1;CCC(C)c1ccc(cc1)NC(=O)CSCc2ccc(cc2)Br","InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)/t14-/m0/s1","","2025-03-20","2025-09-26","2-[(4-bromophenyl)methylsulfanyl]-~{N}-[4-[(2~{S})-butan-2-yl]phenyl]ethanamide","2025-10-01"],["P1Y","2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid","C13 H11 Br N2 O5","O=C(O)c1nc(nc(O)c1O)Cc2cc(Br)c(OC)cc2;COc1ccc(Cc2nc(O)c(O)c(n2)C(O)=O)cc1Br;COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O","InChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)","","2011-02-08","2011-06-04","2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid",""],["A1ENT","~{N}-[4-[4-azanyl-7-methyl-5-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide","C25 H20 N8 O","Cn1cnc2cc(cnc12)C#Cc3c(n(C)c4ncnc(N)c34)c5ccc(NC(=O)C=C)cc5;Cn1cnc2c1ncc(c2)C#Cc3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C=C)C)N","InChI=1S/C25H20N8O/c1-4-20(34)31-17-8-6-16(7-9-17)22-18(21-23(26)28-13-29-25(21)33(22)3)10-5-15-11-19-24(27-12-15)32(2)14-30-19/h4,6-9,11-14H,1H2,2-3H3,(H,31,34)(H2,26,28,29)","","2025-03-21","2025-04-18","~{N}-[4-[4-azanyl-7-methyl-5-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide","2025-04-23"],["P1Z","4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE","C19 H20 N2 O2","O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3;CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3;CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3","","2005-07-26","2011-06-04","4-butyl-1,2-diphenylpyrazolidine-3,5-dione",""],["P20","2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID","C10 H12 Cl N3 O2 S","Clc1ccc(cc1C(C(=O)O)CS)NC(=[N@H])N;NC(=N)Nc1ccc(Cl)c(c1)[CH](CS)C(O)=O;c1cc(c(cc1NC(=N)N)C(CS)C(=O)O)Cl","InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)/t7-/m1/s1","","2005-04-27","2011-06-04","(2R)-2-(5-carbamimidamido-2-chlorophenyl)-3-sulfanylpropanoic acid",""],["A1ENX","[2-[[4-(1,3-benzothiazol-5-yl)-5-fluoranyl-pyrimidin-2-yl]amino]-1,3-thiazol-5-yl]-piperazin-1-yl-methanone","C19 H16 F N7 O S2","Fc1cnc(Nc2sc(cn2)C(=O)N3CCNCC3)nc1c4ccc5scnc5c4;c1cc2c(cc1c3c(cnc(n3)Nc4ncc(s4)C(=O)N5CCNCC5)F)ncs2","InChI=1S/C19H16FN7OS2/c20-12-8-22-18(25-16(12)11-1-2-14-13(7-11)24-10-29-14)26-19-23-9-15(30-19)17(28)27-5-3-21-4-6-27/h1-2,7-10,21H,3-6H2,(H,22,23,25,26)","","2025-03-22","2026-03-20","[2-[[4-(1,3-benzothiazol-5-yl)-5-fluoranyl-pyrimidin-2-yl]amino]-1,3-thiazol-5-yl]-piperazin-1-yl-methanone","2026-03-25"],["A1ENY","7-[1-[~{N}-(2-fluoranylethyl)carbamimidoyl]azetidin-3-yl]oxy-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","C15 H19 B F N3 O5","OB1CCc2ccc(OC3CN(C3)C(=N)NCCF)c(C(O)=O)c2O1;B1(CCc2ccc(c(c2O1)C(=O)O)OC3CN(C3)C(=N)NCCF)O","InChI=1S/C15H19BFN3O5/c17-5-6-19-15(18)20-7-10(8-20)24-11-2-1-9-3-4-16(23)25-13(9)12(11)14(21)22/h1-2,10,23H,3-8H2,(H2,18,19)(H,21,22)","","2025-03-24","2026-03-20","7-[1-[~{N}-(2-fluoranylethyl)carbamimidoyl]azetidin-3-yl]oxy-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","2026-03-25"],["P21","4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide","C24 H31 Cl N2 O2","Clc1ccc(cc1)C(=O)N(C3CCCN(CCc2ccccc2)C3)CCCOC;COCCCN([CH]1CCCN(CCc2ccccc2)C1)C(=O)c3ccc(Cl)cc3;COCCCN(C1CCCN(C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl","InChI=1S/C24H31ClN2O2/c1-29-18-6-16-27(24(28)21-10-12-22(25)13-11-21)23-9-5-15-26(19-23)17-14-20-7-3-2-4-8-20/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3/t23-/m0/s1","","2007-09-28","2011-06-04","4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide",""],["P22","ETHYL DIHYDROGEN DIPHOSPHATE","C2 H8 O7 P2","O=P(OP(=O)(O)OCC)(O)O;CCO[P](O)(=O)O[P](O)(O)=O;CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)","","2004-07-01","2011-06-04","ethyl trihydrogen diphosphate",""],["A1EO9","Forsythiaside A ","C29 H36 O15","C[CH]1O[CH](OC[CH]2O[CH](OCCc3ccc(O)c(O)c3)[CH](O)[CH](O)[CH]2OC(=O)C=Cc4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCc3ccc(c(c3)O)O)O)O)OC(=O)C=Cc4ccc(c(c4)O)O)O)O)O","InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1","[(2R,3S,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate","2025-04-17","2025-10-03","[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] (~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate","2025-10-08"],["P23","PROPYL TRIHYDROGEN DIPHOSPHATE","C3 H10 O7 P2","O=P(O)(OP(=O)(OCCC)O)O;CCCO[P](O)(=O)O[P](O)(O)=O;CCCOP(=O)(O)OP(=O)(O)O","InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)","","2004-07-01","2024-09-27","propyl trihydrogen diphosphate",""],["A1EOA","3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid","C14 H13 N3 O2 S2","OC(=O)c1[nH]nc(c1)N(Cc2cscc2)Cc3cscc3;c1cscc1CN(Cc2ccsc2)c3cc([nH]n3)C(=O)O","InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)","","2025-03-27","2025-10-24","3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid","2025-10-29"],["A1EOE","(4~{a}~{S})-8-azanyl-3-methyl-~{N}-[1-[4-(oxan-4-ylamino)naphthalen-1-yl]cyclopropyl]-2,4,4~{a},5-tetrahydro-1~{H}-pyrazino[2,1-c][1,4]benzoxazine-9-carboxamide","C31 H37 N5 O3","CN1CCN2[CH](COc3cc(N)c(cc23)C(=O)NC4(CC4)c5ccc(NC6CCOCC6)c7ccccc57)C1;CN1CCN2c3cc(c(cc3OCC2C1)N)C(=O)NC4(CC4)c5ccc(c6c5cccc6)NC7CCOCC7","InChI=1S/C31H37N5O3/c1-35-12-13-36-21(18-35)19-39-29-17-26(32)24(16-28(29)36)30(37)34-31(10-11-31)25-6-7-27(23-5-3-2-4-22(23)25)33-20-8-14-38-15-9-20/h2-7,16-17,20-21,33H,8-15,18-19,32H2,1H3,(H,34,37)/t21-/m0/s1","","2025-04-01","2025-12-19","(4~{a}~{S})-8-azanyl-3-methyl-~{N}-[1-[4-(oxan-4-ylamino)naphthalen-1-yl]cyclopropyl]-2,4,4~{a},5-tetrahydro-1~{H}-pyrazino[2,1-c][1,4]benzoxazine-9-carboxamide","2025-12-24"],["P24","1-(AMINOETHYL)AMINO-4-AMINOBUTANE","C6 H17 N3","NCCCCNCCN;NCCCCNCCN;C(CCNCCN)CN","InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2","PA(24)","1999-07-08","2021-03-01","N-(2-aminoethyl)butane-1,4-diamine",""],["A1EOF","[3-(phenylmethyl)imidazol-4-yl]methanimine","C11 H11 N3","N=Cc1cncn1Cc2ccccc2;c1ccc(cc1)Cn2cncc2C=N","InChI=1S/C11H11N3/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2/b12-6+","","2025-04-01","2025-09-03","[3-(phenylmethyl)imidazol-4-yl]methanimine","2025-09-03"],["P25","PENTYL TRIHYDROGEN DIPHOSPHATE","C5 H14 O7 P2","O=P(OP(=O)(OCCCCC)O)(O)O;CCCCCO[P](O)(=O)O[P](O)(O)=O;CCCCCOP(=O)(O)OP(=O)(O)O","InChI=1S/C5H14O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-5H2,1H3,(H,9,10)(H2,6,7,8)","","2004-07-01","2011-06-04","pentyl trihydrogen diphosphate",""],["P26","4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid","C23 H26 O4","O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C;CC1(C)CC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O;CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C","InChI=1S/C23H26O4/c1-21(2)14-22(3,4)19-13-17(9-10-18(19)21)23(26-11-12-27-23)16-7-5-15(6-8-16)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25)","","2009-01-21","2011-06-04","4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid",""],["A1EOQ","Kinsenoside","C10 H16 O8","OC[CH]1O[CH](O[CH]2COC(=O)C2)[CH](O)[CH](O)[CH]1O;C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5-,7-,8+,9-,10-/m1/s1","(4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one","2025-04-04","2026-03-13","(4~{R})-4-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyoxolan-2-one","2026-03-18"],["P27","{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)","C29 H23 F6 N3 O6 P2","FC(F)(c1ccc(cc1)CC(c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O;O[P](O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)(n3nnc4ccccc34)c5ccc(F)c(F)c5)cc1;c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F","InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)","","2003-08-19","2011-06-04","{[2-(1H-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)",""],["P28","3',5'-DINITRO-N-ACETYL-L-THYRONINE","C17 H15 N3 O9","O=[N+]([O-])c2cc(Oc1ccc(cc1)CC(C(=O)O)NC(=O)C)cc([N+]([O-])=O)c2O;CC(=O)N[CH](Cc1ccc(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N+]([O-])=O)cc1)C(O)=O;CC(=O)NC(Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","InChI=1S/C17H15N3O9/c1-9(21)18-13(17(23)24)6-10-2-4-11(5-3-10)29-12-7-14(19(25)26)16(22)15(8-12)20(27)28/h2-5,7-8,13,22H,6H2,1H3,(H,18,21)(H,23,24)/t13-/m0/s1","","1999-07-08","2011-06-04","N-acetyl-O-(4-hydroxy-3,5-dinitrophenyl)-L-tyrosine",""],["A1EOT","[(2~{R})-1-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-heptanoyloxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-decoxy-propan-2-yl] nonanoate","C41 H78 N O17 P","CCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O)[CH](O)[CH](O)[CH]1OC(=O)CCCCCC)OC(=O)CCCCCCCC;CCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C1OC(=O)CCCCCC)O)O)O)OC2C(C(C(C(O2)CO)O)O)N)OC(=O)CCCCCCCC","InChI=1S/C41H78NO17P/c1-4-7-10-13-15-16-18-21-24-53-26-28(55-30(44)22-20-17-14-11-8-5-2)27-54-60(51,52)59-40-38(57-31(45)23-19-12-9-6-3)36(49)35(48)37(50)39(40)58-41-32(42)34(47)33(46)29(25-43)56-41/h28-29,32-41,43,46-50H,4-27,42H2,1-3H3,(H,51,52)/t28-,29-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-/m1/s1","","2025-04-07","2026-04-03","[(2~{R})-1-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-heptanoyloxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-decoxy-propan-2-yl] nonanoate","2026-04-08"],["A1EOU","(4R)-2-[(3-cyclobutyloxy-4-phenyl-pyridin-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol","C22 H23 N3 O2 S","O[CH]1CCCc2sc(Nc3nccc(c3OC4CCC4)c5ccccc5)nc12;c1ccc(cc1)c2ccnc(c2OC3CCC3)Nc4nc5c(s4)CCCC5O","InChI=1S/C22H23N3O2S/c26-17-10-5-11-18-19(17)24-22(28-18)25-21-20(27-15-8-4-9-15)16(12-13-23-21)14-6-2-1-3-7-14/h1-3,6-7,12-13,15,17,26H,4-5,8-11H2,(H,23,24,25)/t17-/m1/s1","","2025-04-08","2026-04-03","(4~{R})-2-[(3-cyclobutyloxy-4-phenyl-pyridin-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol","2026-04-08"],["P29","4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","C17 H15 N9","N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc3ccccc3;N#Cc1cnn2c(NCCc3[nH]cnc3)nc(Nc4ccccc4)nc12;c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N","InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)","","2007-05-11","2011-06-04","4-{[2-(1H-imidazol-5-yl)ethyl]amino}-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile",""],["P2A","1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE","C7 H13 O8 P","O=P(O)(OCC(OC(=O)C)COC(=O)C)O;CC(=O)OC[CH](CO[P](O)(O)=O)OC(C)=O;CC(=O)OCC(COP(=O)(O)O)OC(=O)C","InChI=1S/C7H13O8P/c1-5(8)13-3-7(15-6(2)9)4-14-16(10,11)12/h7H,3-4H2,1-2H3,(H2,10,11,12)/t7-/m1/s1","","2004-06-14","2011-06-04","(2R)-3-(phosphonooxy)propane-1,2-diyl diacetate",""],["A1EOX","9-[1-(2-fluoranylethyl)azetidin-3-yl]oxy-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid","C14 H18 B F N O6","OC(=O)c1c(OC2CN(CCF)C2)ccc3CC[B-](O)(O)Oc13;[B-]1(CCc2ccc(c(c2O1)C(=O)O)OC3CN(C3)CCF)(O)O","InChI=1S/C14H18BFNO6/c16-5-6-17-7-10(8-17)22-11-2-1-9-3-4-15(20,21)23-13(9)12(11)14(18)19/h1-2,10,20-21H,3-8H2,(H,18,19)/q-1","","2025-04-08","2026-04-10","9-[1-(2-fluoranylethyl)azetidin-3-yl]oxy-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid","2026-04-15"],["P2B","3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol","C19 H19 N5 O2","n2c(Nc1cccnc1)cc(nc2N3CCOCC3)c4cccc(O)c4;Oc1cccc(c1)c2cc(Nc3cccnc3)nc(n2)N4CCOCC4;c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4","InChI=1S/C19H19N5O2/c25-16-5-1-3-14(11-16)17-12-18(21-15-4-2-6-20-13-15)23-19(22-17)24-7-9-26-10-8-24/h1-6,11-13,25H,7-10H2,(H,21,22,23)","","2010-10-05","2011-08-12","3-[2-(morpholin-4-yl)-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol",""],["A1EOY","6-[(5-methylimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one","C16 H15 N3 O","Cc1cncn1CC2=CC=C(C(=O)N2)c3ccccc3;Cc1cncn1CC2=CC=C(C(=O)N2)c3ccccc3","InChI=1S/C16H15N3O/c1-12-9-17-11-19(12)10-14-7-8-15(16(20)18-14)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)","","2025-04-08","2026-04-03","6-[(5-methylimidazol-1-yl)methyl]-3-phenyl-1~{H}-pyridin-2-one","2026-04-08"],["P2C","2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID","C13 H9 Cl2 N O5","Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O;OOOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl;c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl","InChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18)","2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID","2004-08-17","2021-03-13","2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid",""],["A1EPA","2',4',5',7'-tetrakis(iodanyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one","C20 H8 I4 O5","Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3[C]24OC(=O)c5ccccc45)c1I;c1ccc2c(c1)C(=O)OC23c4cc(c(c(c4Oc5c3cc(c(c5I)O)I)I)O)I","InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H","Erythrosine","2025-04-17","2026-04-10","2',4',5',7'-tetrakis(iodanyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one","2026-04-15"],["P2D","pentane-2,4-dione","C5 H8 O2","O=C(C)CC(=O)C;CC(=O)CC(C)=O;CC(=O)CC(=O)C","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3","","2013-11-27","2024-09-27","pentane-2,4-dione","2014-09-24"],["A1EPB","4-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-~{N}'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide","C24 H22 N4 O3 S2","Cc1cccc2sc(NNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCc5ccccc5C4)nc12;Cc1cccc2c1nc(s2)NNC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4","InChI=1S/C24H22N4O3S2/c1-16-5-4-8-21-22(16)25-24(32-21)27-26-23(29)18-9-11-20(12-10-18)33(30,31)28-14-13-17-6-2-3-7-19(17)15-28/h2-12H,13-15H2,1H3,(H,25,27)(H,26,29)","","2025-04-17","2026-04-10","4-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-~{N}'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide","2026-04-15"],["P2E","(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid","C20 H32 O5","O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O;CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O","InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1","Prostaglandin E2","2009-06-04","2021-03-01","(5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid","2014-07-23"],["A1EPE","~{N}-[1-methyl-3-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5~{H}-pyrrolo[2,3-b]pyrazin-7-yl]indol-6-yl]propanamide","C27 H30 N8 O2","CCC(=O)Nc1ccc2c(c1)n(C)cc2c3c[nH]c4ncc(nc34)c5cnn(CCN6CCOCC6)c5;CCC(=O)Nc1ccc2c(c1)n(cc2c3c[nH]c4c3nc(cn4)c5cnn(c5)CCN6CCOCC6)C","InChI=1S/C27H30N8O2/c1-3-25(36)31-19-4-5-20-22(17-33(2)24(20)12-19)21-14-28-27-26(21)32-23(15-29-27)18-13-30-35(16-18)7-6-34-8-10-37-11-9-34/h4-5,12-17H,3,6-11H2,1-2H3,(H,28,29)(H,31,36)","","2025-04-18","2025-09-19","~{N}-[1-methyl-3-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5~{H}-pyrrolo[2,3-b]pyrazin-7-yl]indol-6-yl]propanamide","2025-09-24"],["P2F","5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide","C38 H52 N4 O6 S","O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2cccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4CCCC[S]4(=O)=O;CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4cccc(c4)OC)O","InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1","","2014-01-08","2014-09-05","5-(1,1-dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide","2014-06-18"],["A1EPF","~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide","C29 H31 N7 O2","CCC(=O)Nc1ccc2c(c1)n(C)cc2c3cccc4ncc(nc34)c5cnn(CCN6CCOCC6)c5;CCC(=O)Nc1ccc2c(c1)n(cc2c3cccc4c3nc(cn4)c5cnn(c5)CCN6CCOCC6)C","InChI=1S/C29H31N7O2/c1-3-28(37)32-21-7-8-22-24(19-34(2)27(22)15-21)23-5-4-6-25-29(23)33-26(17-30-25)20-16-31-36(18-20)10-9-35-11-13-38-14-12-35/h4-8,15-19H,3,9-14H2,1-2H3,(H,32,37)","","2025-04-18","2025-09-19","~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide","2025-09-24"],["P2G","(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI\nC ACID","C11 H14 N5 O8 P","O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[CH](O[CH]34)[P](O)(O)=O;c1nc2c(n1C3C4C(C(O3)CO)OC(O4)P(=O)(O)O)N=C(NC2=O)N","InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1","GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE","2005-08-04","2020-06-17","2',3'-O-(phosphonomethylidene)guanosine",""],["A1EPQ","10',11'-difluoro-12'-methoxyvinblastine","C47 H58 F2 N4 O10","CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(F)c(F)c(OC)c34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1;CCC1(CC2CC(c3c(c4c([nH]3)cc(c(c4OC)F)F)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O","InChI=1S/C47H58F2N4O10/c1-9-43(57)21-26-22-46(41(55)61-7,37-27(12-16-52(23-26)24-43)34-31(50-37)19-30(48)35(49)36(34)60-6)29-18-28-32(20-33(29)59-5)51(4)39-45(28)14-17-53-15-11-13-44(10-2,38(45)53)40(63-25(3)54)47(39,58)42(56)62-8/h11,13,18-20,26,38-40,50,57-58H,9-10,12,14-17,21-24H2,1-8H3/t26-,38-,39+,40+,43-,44+,45+,46-,47-/m0/s1","","2025-04-24","2025-05-02","","2025-05-07"],["A1EPR","10'-fluorovinblastine","C46 H57 F N4 O9","CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(F)ccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1;CCC1(CC2CC(c3c(c4ccc(cc4[nH]3)F)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O","InChI=1S/C46H57FN4O9/c1-8-42(55)22-27-23-45(40(53)58-6,36-30(13-17-50(24-27)25-42)29-12-11-28(47)19-33(29)48-36)32-20-31-34(21-35(32)57-5)49(4)38-44(31)15-18-51-16-10-14-43(9-2,37(44)51)39(60-26(3)52)46(38,56)41(54)59-7/h10-12,14,19-21,27,37-39,48,55-56H,8-9,13,15-18,22-25H2,1-7H3/t27-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1","","2025-04-24","2025-05-02","","2025-05-07"],["P2H","1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium","C13 H16 N O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)C[n+]2cccc(c1ccccc1)c2;OC(C[n+]1cccc(c1)c2ccccc2)([P](O)(O)=O)[P](O)(O)=O;c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)/p+1","","2009-07-30","2011-06-04","1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium",""],["P2I","1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL","C13 H22 O13 P","O=C(OCC(OC(=O)C)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)C;CC(=O)OC[CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(C)=O;CC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)C","InChI=1S/C13H23O13P/c1-5(14)23-3-7(25-6(2)15)4-24-27(21,22)26-13-11(19)9(17)8(16)10(18)12(13)20/h7-13,16-20H,3-4H2,1-2H3,(H,21,22)/p-1/t7-,8-,9-,10+,11+,12-,13-/m0/s1","","2004-08-02","2011-06-04","(2S)-2,3-bis(acetyloxy)propyl (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate",""],["A1EPS","10'-bromovinblastine","C46 H57 Br N4 O9","CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(Br)ccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1;CCC1(CC2CC(c3c(c4ccc(cc4[nH]3)Br)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O","InChI=1S/C46H57BrN4O9/c1-8-42(55)22-27-23-45(40(53)58-6,36-30(13-17-50(24-27)25-42)29-12-11-28(47)19-33(29)48-36)32-20-31-34(21-35(32)57-5)49(4)38-44(31)15-18-51-16-10-14-43(9-2,37(44)51)39(60-26(3)52)46(38,56)41(54)59-7/h10-12,14,19-21,27,37-39,48,55-56H,8-9,13,15-18,22-25H2,1-7H3/t27-,37-,38+,39+,42+,43+,44+,45-,46-/m0/s1","","2025-04-24","2025-05-02","","2025-05-07"],["A1EPV","1-[3-(3,5-dimethoxyphenyl)quinolin-7-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea","C26 H22 F3 N3 O4","COc1cc(OC)cc(c1)c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2;COc1cc(cc(c1)OC)c2cc3ccc(cc3nc2)NC(=O)NCc4ccc(cc4)OC(F)(F)F","InChI=1S/C26H22F3N3O4/c1-34-22-10-18(11-23(13-22)35-2)19-9-17-5-6-20(12-24(17)30-15-19)32-25(33)31-14-16-3-7-21(8-4-16)36-26(27,28)29/h3-13,15H,14H2,1-2H3,(H2,31,32,33)","","2025-04-29","2026-04-17","1-[3-(3,5-dimethoxyphenyl)quinolin-7-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea","2026-04-22"],["P2J","9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine","C19 H31 N7 O5","c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2;CCCCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1","","2019-07-25","2024-09-27","9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine","2020-08-19"],["P2K","POLYETHYLENE GLYCOL PEG2000","C12 H26 O7","O(CCO)CCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCO)O","InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2","","2006-11-14","2010-03-08","3,6,9,12,15-pentaoxaheptadecane-1,17-diol",""],["P2L","4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one","C11 H17 Cl N4 O","CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2;CN1CCCC(C1)NC2=C(C(=O)N(N=C2)C)Cl","InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1","","2016-12-06","2017-12-15","4-chloranyl-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one","2017-12-20"],["A1EQ8","icosan-1-ol","C20 H42 O","CCCCCCCCCCCCCCCCCCCCO;CCCCCCCCCCCCCCCCCCCCO","InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3","","2025-06-04","2025-09-19","icosan-1-ol","2025-09-24"],["P2M","N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide","C16 H14 N2 O2 S","O=S(=O)(NCc1ncccc1)c3c2ccccc2ccc3;O=[S](=O)(NCc1ccccn1)c2cccc3ccccc23;c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3","InChI=1S/C16H14N2O2S/c19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11,18H,12H2","","2010-08-03","2011-06-04","N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide",""],["P2N","(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE","C17 H19 Cl O5","O=C1OCCC=CCCCCC(=O)Cc2c1c(O)cc(O)c2Cl;Oc1cc(O)c2C(=O)OCCC=CCCCCC(=O)Cc2c1Cl;c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCOC2=O)O","InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+","","2006-03-02","2011-06-04","(5E)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione",""],["A1EQF","(5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione","C16 H22 Mn N4 O9","O=C1C[N]2CCN3CC(=O)O[Mn](O[CH](C2)NCCN4C(=O)CCC4=O)(O1)OC(=O)C3;C1CC(=O)N(C1=O)CCNC2CN3CCN4CC(=O)O[Mn](O2)(OC(=O)C3)OC(=O)C4","InChI=1S/C16H25N4O9.Mn/c21-11(17-3-4-20-12(22)1-2-13(20)23)7-18(8-14(24)25)5-6-19(9-15(26)27)10-16(28)29;/h11,17H,1-10H2,(H,24,25)(H,26,27)(H,28,29);/q-1;+4/p-3/t11-;/m0./s1","","2025-05-13","2025-07-18","(5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione","2025-07-23"],["P2O","3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE","C6 H7 N O2","O=C1OCCN1CC#C;O=C1OCCN1CC#C;C#CCN1CCOC1=O","InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2","1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE","2006-07-26","2020-06-17","3-prop-2-yn-1-yl-1,3-oxazolidin-2-one",""],["A1EQI","2-chloranyl-4-[[(3R)-1-[(3S)-7-(ethylamino)-5-fluoranyl-3-methyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]amino]benzoic acid","C23 H26 Cl F N4 O3","CCNc1cc(F)cc2c1NC(=O)[C]2(C)N3CCC[CH](C3)Nc4ccc(C(O)=O)c(Cl)c4;CCNc1cc(cc2c1NC(=O)C2(C)N3CCCC(C3)Nc4ccc(c(c4)Cl)C(=O)O)F","InChI=1S/C23H26ClFN4O3/c1-3-26-19-10-13(25)9-17-20(19)28-22(32)23(17,2)29-8-4-5-15(12-29)27-14-6-7-16(21(30)31)18(24)11-14/h6-7,9-11,15,26-27H,3-5,8,12H2,1-2H3,(H,28,32)(H,30,31)/t15-,23+/m1/s1","","2025-05-15","2025-06-06","2-chloranyl-4-[[(3~{R})-1-[(3~{S})-7-(ethylamino)-5-fluoranyl-3-methyl-2-oxidanylidene-1~{H}-indol-3-yl]piperidin-3-yl]amino]benzoic acid","2025-06-11"],["P2P","N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE","C10 H13 N4 O8 P","O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3nc(O)ncc23;c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(n1)O","InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1","PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER","2001-07-10","2020-06-17","7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol",""],["P2Q","2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine","C20 H22 N2 O6","N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O;c1ccc(cc1)OCC=CC(C=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N","InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1","3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine","2009-11-10","2024-09-27","(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid",""],["A1EQU","(~{S})-[(1~{S},2~{R},4~{S},5~{R})-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-methoxy-3-[4-(2-phenylhydrazinyl)phenyl]quinolin-4-yl]methanol","C32 H34 N4 O2","COc1ccc2ncc(c3ccc(NNc4ccccc4)cc3)c([CH](O)[CH]5C[CH]6CC[N]5C[CH]6C=C)c2c1;COc1ccc2c(c1)c(c(cn2)c3ccc(cc3)NNc4ccccc4)C(C5CC6CCN5CC6C=C)O","InChI=1S/C32H34N4O2/c1-3-21-20-36-16-15-23(21)17-30(36)32(37)31-27-18-26(38-2)13-14-29(27)33-19-28(31)22-9-11-25(12-10-22)35-34-24-7-5-4-6-8-24/h3-14,18-19,21,23,30,32,34-35,37H,1,15-17,20H2,2H3/t21-,23-,30+,32+/m0/s1","","2025-05-25","2026-03-27","(~{S})-[(1~{S},2~{R},4~{S},5~{R})-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-methoxy-3-[4-(2-phenylhydrazinyl)phenyl]quinolin-4-yl]methanol","2026-04-01"],["P2R","N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide","C25 H26 N4 O2","Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO)c1CCCCc21;Nc1ccc2ccc(CNC(=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1;c1cc(cc2c1ccc(n2)N)CNC(=O)c3ccc4c(c3)c5c(n4CCO)CCCC5","InChI=1S/C25H26N4O2/c26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30/h5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31)","","2022-05-24","2023-04-07","N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide","2023-04-12"],["A1EQV","Macimorelin","C26 H30 N6 O3","CC(C)(N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](Cc3c[nH]c4ccccc34)NC=O;CC(C)(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(Cc3c[nH]c4c3cccc4)NC=O)N","InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1","2-azanyl-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide","2025-05-25","2025-06-27","2-azanyl-~{N}-[(2~{R})-1-[[(1~{R})-1-formamido-2-(1~{H}-indol-3-yl)ethyl]amino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide","2025-07-02"],["P2S","(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID","C9 H19 N2 O8 P S","O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O;CC[CH](C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O)C(O)=O;CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O)O","InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1","N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID","2004-02-13","2021-03-01","(2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid",""],["A1EQX","2-[3,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1H-xanthen-9-yl]-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid","C43 H53 N3 O8","CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3CC=C(C=C3Oc4cc(ccc24)N5[CH]6CC[CH]5COC6)N7[CH]8CC[CH]7COC8;CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3CC=C(C=C3Oc4c2ccc(c4)N5C6CCC5COC6)N7C8CCC7COC8)C(=O)O","InChI=1S/C43H53N3O8/c1-2-3-4-5-17-50-19-20-51-18-16-44-42(47)28-6-13-35(43(48)49)38(21-28)41-36-14-11-29(45-31-7-8-32(45)25-52-24-31)22-39(36)54-40-23-30(12-15-37(40)41)46-33-9-10-34(46)27-53-26-33/h6,11-14,21-23,31-34H,2-5,7-10,15-20,24-27H2,1H3,(H,44,47)(H,48,49)/t31-,32+,33-,34+","","2025-05-27","2025-12-19","2-[3,6-bis[(1~{R},5~{S})-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1~{H}-xanthen-9-yl]-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid","2025-06-11"],["A1ER2","2-[[2-chloranyl-6-ethyl-4-[2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]ethylcarbamoyl]phenyl]amino]benzoic acid","C22 H22 Cl N3 O6","CCc1cc(cc(Cl)c1Nc2ccccc2C(O)=O)C(=O)NCCNC(=O)C=CC(O)=O;CCc1cc(cc(c1Nc2ccccc2C(=O)O)Cl)C(=O)NCCNC(=O)C=CC(=O)O","InChI=1S/C22H22ClN3O6/c1-2-13-11-14(21(30)25-10-9-24-18(27)7-8-19(28)29)12-16(23)20(13)26-17-6-4-3-5-15(17)22(31)32/h3-8,11-12,26H,2,9-10H2,1H3,(H,24,27)(H,25,30)(H,28,29)(H,31,32)/b8-7+","","2025-06-17","2025-10-31","2-[[2-chloranyl-6-ethyl-4-[2-[[(~{E})-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]ethylcarbamoyl]phenyl]amino]benzoic acid","2025-11-05"],["P2T","2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE","C13 H21 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O)(O)O;CCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O","InChI=1S/C13H21N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2004-12-17","2011-06-04","5-methyl-2'-O-propyluridine 5'-(dihydrogen phosphate)",""],["P2U","2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE","C9 H13 N2 O8 P","O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O;C1C(C(OC1C2=CNC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1","","2000-03-23","2011-06-04","(1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol",""],["A1ER5","(2~{S})-2-azanyl-4-oxidanylidene-4-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-butanoic acid","C13 H15 N O6","N[CH](CC(=O)O[CH](Cc1ccccc1)C(O)=O)C(O)=O;c1ccc(cc1)CC(C(=O)O)OC(=O)CC(C(=O)O)N","InChI=1S/C13H15NO6/c14-9(12(16)17)7-11(15)20-10(13(18)19)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,16,17)(H,18,19)/t9-,10+/m0/s1","","2025-06-20","2026-01-02","(2~{S})-2-azanyl-4-oxidanylidene-4-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-butanoic acid","2026-01-07"],["P2V","~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C26 H30 N6 S","CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12;CC(C)c1c2c(c(nc(n2)SC3CCNCC3)NCc4ccccc4c5ccccc5)n[nH]1","InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30)","","2022-09-29","2023-03-24","~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2023-03-29"],["A1ER6","adenosylcobinamide-GDP","C68 H93 Co N21 O21 P2","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N]3C1=C(C)C4=NC(=CC5=[N+]6C(=C(C)C7=[N+]([C]2(C)[C](C)(CC(N)=O)[CH]7CCC(N)=O)[Co]36C[CH]8O[CH]([CH](O)[CH]8O)n9cnc%10c(N)ncnc9%10)[C](C)(CC(N)=O)[CH]5C=CC(N)=O)C(C)(C)[CH]4C=CC(N)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]%11O[CH]([CH](O)[CH]%11O)n%12cnc%13C(=O)NC(=Nc%12%13)N;CC1=C2C(C(C3=[N+]2[Co]45(N6C(C(C(C6=C(C7=[N]4C(=C3)C(C7C=CC(=O)N)(C)C)C)(C)CCC(=O)NCC(C)OP(=O)(O)OP(=O)(O)OCC8C(C(C(O8)n9cnc2c9N=C(NC2=O)N)O)O)CC(=O)N)C2([N+]5=C1C(C2(C)CC(=O)N)CCC(=O)N)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O)C=CC(=O)N)(C)CC(=O)N","InChI=1S/C58H82N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h10-11,13-14,19,24-25,28-31,33,45-46,49,52,82-83H,12,15-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+3/p-1/b13-10+,14-11+;;/t25-,28-,29-,30-,31+,33-,45-,46-,49-,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1","","2025-06-20","2025-10-03","","2025-10-08"],["P2X","2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol","C16 H16 N6 O","n1c(c2c(nc1)n(nc2c4cc3cc(O)ccc3n4)C(C)C)N;CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c4c(N)ncnc14;CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N","InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)","","2013-03-25","2013-05-03","2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol","2013-05-08"],["A1ER9","N-[5-[[4-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]-1-methyl-pyrazole-4-carboxamide","C27 H35 Cl N8 O5","CO[CH]1CO[CH]2[CH](CO[CH]12)Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)c5cnn(C)c5)c4)ncc3Cl;Cn1cc(cn1)C(=O)Nc2cc(ccc2N(C)CCN(C)C)Nc3ncc(c(n3)OC4COC5C4OCC5OC)Cl","InChI=1S/C27H35ClN8O5/c1-34(2)8-9-35(3)20-7-6-17(10-19(20)32-25(37)16-11-30-36(4)13-16)31-27-29-12-18(28)26(33-27)41-22-15-40-23-21(38-5)14-39-24(22)23/h6-7,10-13,21-24H,8-9,14-15H2,1-5H3,(H,32,37)(H,29,31,33)/t21-,22-,23-,24-/m1/s1","","2025-06-24","2026-04-17","~{N}-[5-[[4-[[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-3-methoxy-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]-1-methyl-pyrazole-4-carboxamide","2026-04-22"],["A1ERR","~{N}-[[5-[4-(6-azanyl-8-oxidanylidene-9-piperidin-4-yl-purin-7-yl)phenoxy]-2-fluoranyl-4-oxidanyl-phenyl]methyl]ethanamide","C25 H26 F N7 O4","CC(=O)NCc1cc(Oc2ccc(cc2)N3C(=O)N(C4CCNCC4)c5ncnc(N)c35)c(O)cc1F;CC(=O)NCc1cc(c(cc1F)O)Oc2ccc(cc2)N3c4c(ncnc4N(C3=O)C5CCNCC5)N","InChI=1S/C25H26FN7O4/c1-14(34)29-12-15-10-21(20(35)11-19(15)26)37-18-4-2-16(3-5-18)32-22-23(27)30-13-31-24(22)33(25(32)36)17-6-8-28-9-7-17/h2-5,10-11,13,17,28,35H,6-9,12H2,1H3,(H,29,34)(H2,27,30,31)","","2025-06-10","2025-09-19","~{N}-[[5-[4-(6-azanyl-8-oxidanylidene-9-piperidin-4-yl-purin-7-yl)phenoxy]-2-fluoranyl-4-oxidanyl-phenyl]methyl]ethanamide","2025-09-24"],["P2Y","(2S)-PYRROLIDIN-2-YLMETHYLAMINE","C5 H12 N2","NCC1NCCC1;NC[CH]1CCCN1;C1CC(NC1)CN","InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1","","2003-03-20","2024-09-27","1-[(2S)-pyrrolidin-2-yl]methanamine",""],["P2Z","Promazine","C17 H20 N2 S","S2c1ccccc1N(c3c2cccc3)CCCN(C)C;CN(C)CCCN1c2ccccc2Sc3ccccc13;CN(C)CCCN1c2ccccc2Sc3c1cccc3","InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3","N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine","2013-08-23","2020-06-17","N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine","2014-01-22"],["A1ERS","~{N}-[[3-[4-(6-azanyl-8-oxidanylidene-9-piperidin-4-yl-purin-7-yl)phenoxy]phenyl]methyl]ethanamide","C25 H27 N7 O3","CC(=O)NCc1cccc(Oc2ccc(cc2)N3C(=O)N(C4CCNCC4)c5ncnc(N)c35)c1;CC(=O)NCc1cccc(c1)Oc2ccc(cc2)N3c4c(ncnc4N(C3=O)C5CCNCC5)N","InChI=1S/C25H27N7O3/c1-16(33)28-14-17-3-2-4-21(13-17)35-20-7-5-18(6-8-20)31-22-23(26)29-15-30-24(22)32(25(31)34)19-9-11-27-12-10-19/h2-8,13,15,19,27H,9-12,14H2,1H3,(H,28,33)(H2,26,29,30)","","2025-06-10","2025-09-19","~{N}-[[3-[4-(6-azanyl-8-oxidanylidene-9-piperidin-4-yl-purin-7-yl)phenoxy]phenyl]methyl]ethanamide","2025-09-24"],["P30","1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea","C29 H32 N6 O4 S","O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(ccc(OCCN2CCOCC2)c3)n5c4)cc6;CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c(sc5cc(OCCN6CCOCC6)ccc45)n3)c1;CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6","InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)","Quizartinib; PLX3397","2014-11-14","2020-05-27","1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea","2015-04-15"],["A1ERZ","(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol","C9 H10 N2 O","C[CH](O)c1[nH]c2ccccc2n1;CC(c1[nH]c2ccccc2n1)O","InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/t6-/m0/s1","","2025-06-16","2025-08-22","(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol","2025-08-27"],["P31","5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine","C20 H15 Cl F3 N5","FC(F)(F)c1ncc(cc1)CNc2ncc(cc2)Cc4c3cc(Cl)cnc3nc4;FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1;c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F","InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)","","2014-09-03","2015-08-07","5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine","2015-08-12"],["A1ES3","3-[4-(trifluoromethyl)phenyl]propanoic acid","C10 H9 F3 O2","OC(=O)CCc1ccc(cc1)C(F)(F)F;c1cc(ccc1CCC(=O)O)C(F)(F)F","InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)","","2025-07-07","2025-12-26","3-[4-(trifluoromethyl)phenyl]propanoic acid","2025-12-31"],["A1ESA","Gepirone","C19 H29 N5 O2","CC1(C)CC(=O)N(CCCCN2CCN(CC2)c3ncccn3)C(=O)C1;CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)c3ncccn3)C","InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3","","2025-06-24","2025-11-07","4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione","2025-11-12"],["P32","Cyanopindolol","C16 H21 N3 O2","N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2;CC(C)(C)NC[CH](O)COc1cccc2N=C(Cc12)C#N;CC(C)(C)NCC(COc1cccc2c1CC(=N2)C#N)O","InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1","4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile","2008-05-09","2025-07-10","4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile",""],["P33","3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL","C14 H30 O8","O(CCOCCO)CCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCO)O","InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2","HEPTAETHYLENE GLYCOL; PEG330","2003-04-09","2020-05-27","3,6,9,12,15,18-hexaoxaicosane-1,20-diol",""],["A1ESE","(7~{R})-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol","C16 H25 N O","CCCN(CCC)[CH]1CCc2cccc(O)c2C1;CCCN(CCC)C1CCc2cccc(c2C1)O","InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1","","2025-06-24","2025-11-07","(7~{R})-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol","2025-11-12"],["P34","N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE","C17 H17 N3 O2","O=C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C;CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1;CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2","InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)","","2004-09-30","2011-06-04","N~2~,N~2~-dimethyl-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide",""],["A1ESF","~{N}-[5-[[4-[[(3~{R},3~{a}~{R},6~{a}~{S})-3-methoxy-2,3,3~{a},6~{a}-tetrahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[[(2~{R},8~{R})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide","C30 H33 Cl F N7 O6","CO[CH]1CO[CH]2[CH]1OC=C2Oc3nc(Nc4ccc(OC[C]56CCCN5C[CH](F)C6)c(NC(=O)c7cnn(C)c7)c4)ncc3Cl;Cn1cc(cn1)C(=O)Nc2cc(ccc2OCC34CCCN3CC(C4)F)Nc5ncc(c(n5)OC6=COC7C6OCC7OC)Cl","InChI=1S/C30H33ClFN7O6/c1-38-12-17(10-34-38)27(40)36-21-8-19(4-5-22(21)44-16-30-6-3-7-39(30)13-18(32)9-30)35-29-33-11-20(31)28(37-29)45-24-15-43-25-23(41-2)14-42-26(24)25/h4-5,8,10-12,15,18,23,25-26H,3,6-7,9,13-14,16H2,1-2H3,(H,36,40)(H,33,35,37)/t18-,23-,25-,26-,30-/m1/s1","","2025-06-25","2026-04-17","~{N}-[5-[[4-[[(3~{R},3~{a}~{R},6~{a}~{S})-3-methoxy-2,3,3~{a},6~{a}-tetrahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloranyl-pyrimidin-2-yl]amino]-2-[[(2~{R},8~{R})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide","2026-04-22"],["P35","4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol","C19 H23 N3 O4 S","c1cc(O)cc(c1S(=O)(N2Cc3ccc(cc3C2)NC4CCNCC4)=O)O;Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(NC4CCNCC4)cc3C2;c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O","InChI=1S/C19H23N3O4S/c23-17-3-4-19(18(24)10-17)27(25,26)22-11-13-1-2-16(9-14(13)12-22)21-15-5-7-20-8-6-15/h1-4,9-10,15,20-21,23-24H,5-8,11-12H2","","2016-04-06","2017-01-20","4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol","2017-01-25"],["A1ESQ","Crisugabalin","C12 H19 N O2","NC[C]1(CC(O)=O)[CH]2CC[CH]3C[CH]2[CH]1C3;C1CC2C3CC1CC3C2(CC(=O)O)CN","InChI=1S/C12H19NO2/c13-6-12(5-11(14)15)9-2-1-7-3-8(9)10(12)4-7/h7-10H,1-6,13H2,(H,14,15)/t7-,8-,9+,10-,12-/m0/s1","","2025-06-29","2026-01-02","","2026-01-07"],["A1ESY","[(2~{S})-2-azanyl-2-[[4-[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-phenyl]methyl]-3-oxidanyl-propyl] dihydrogen phosphate","C25 H28 F4 N3 O6 P","N[C](CO)(CO[P](O)(O)=O)Cc1ccc(cc1F)c2noc(n2)c3ccc(C4CCCCC4)c(c3)C(F)(F)F;c1cc(c(cc1c2nc(on2)c3ccc(c(c3)C(F)(F)F)C4CCCCC4)F)CC(CO)(COP(=O)(O)O)N","InChI=1S/C25H28F4N3O6P/c26-21-11-16(6-7-18(21)12-24(30,13-33)14-37-39(34,35)36)22-31-23(38-32-22)17-8-9-19(15-4-2-1-3-5-15)20(10-17)25(27,28)29/h6-11,15,33H,1-5,12-14,30H2,(H2,34,35,36)/t24-/m0/s1","","2025-07-06","2026-01-23","[(2~{S})-2-azanyl-2-[[4-[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-phenyl]methyl]-3-oxidanyl-propyl] dihydrogen phosphate","2026-01-28"],["P36","1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one","C19 H16 Br N O2","BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3;BrC1=C(OCc2ccccc2)C=CN(Cc3ccccc3)C1=O;c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3","InChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2","","2009-06-05","2011-06-04","1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one",""],["P37","N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide","C24 H21 F2 N5 O2","O=C(NC1CC1)c2cc(c(cc2)C)NC=4c3cnn(c3N(C(=O)C=4)C)c5ccc(F)cc5F;CN1C(=O)C=C(Nc2cc(ccc2C)C(=O)NC3CC3)c4cnn(c5ccc(F)cc5F)c14;Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5","InChI=1S/C24H21F2N5O2/c1-13-3-4-14(23(33)28-16-6-7-16)9-19(13)29-20-11-22(32)30(2)24-17(20)12-27-31(24)21-8-5-15(25)10-18(21)26/h3-5,8-12,16,29H,6-7H2,1-2H3,(H,28,33)","","2009-03-12","2011-06-04","N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide",""],["A1ESZ","(2~{Z},5~{Z})-5-[[4-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3-chloranyl-phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one","C23 H25 Cl N2 O4 S","CCCN=C1SC(=Cc2ccc(OC[CH](O)CO)c(Cl)c2)C(=O)N1c3ccccc3C;CCCN=C1N(C(=O)C(=Cc2ccc(c(c2)Cl)OCC(CO)O)S1)c3ccccc3C","InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1","Ponesimod","2025-07-06","2026-01-23","(2~{Z},5~{Z})-5-[[4-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3-chloranyl-phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one","2026-01-28"],["P38","5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","C33 H32 N8 O3","O=C(NC(/c1ccccc1)=C)c6c(c2n(ncnc2Nc3c(ccc(c3)NC(=O)c4cc(ncc4)N5CCOCC5)C)c6)C;Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1Nc4ncnn5cc(C(=O)NC(=C)c6ccccc6)c(C)c45;Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6","InChI=1S/C33H32N8O3/c1-21-9-10-26(38-32(42)25-11-12-34-29(17-25)40-13-15-44-16-14-40)18-28(21)39-31-30-22(2)27(19-41(30)36-20-35-31)33(43)37-23(3)24-7-5-4-6-8-24/h4-12,17-20H,3,13-16H2,1-2H3,(H,37,43)(H,38,42)(H,35,36,39)","","2008-01-16","2011-06-04","5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",""],["A1ET8","(4S,8S,11S,12E)-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","C18 H24 O6","C[CH]1CCC[CH](O)CC[CH](O)C=Cc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(CCC(C=Cc2cc(cc(c2C(=O)O1)O)O)O)O","InChI=1S/C18H24O6/c1-11-3-2-4-13(19)7-8-14(20)6-5-12-9-15(21)10-16(22)17(12)18(23)24-11/h5-6,9-11,13-14,19-22H,2-4,7-8H2,1H3/b6-5+/t11-,13-,14+/m0/s1","","2025-07-26","2026-03-13","(4~{S},8~{S},11~{S},12~{E})-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","2026-03-18"],["P39","5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","C34 H35 N7 O3","O=C(NC(c1ccccc1)C)c6c(c2n(ncnc2Nc3c(ccc(c3)NC(=O)c4cc(ccc4)N5CCOCC5)C)c6)C;C[CH](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N5CCOCC5)ccc3C)c2c1C)c6ccccc6;Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6","InChI=1S/C34H35N7O3/c1-22-12-13-27(38-33(42)26-10-7-11-28(18-26)40-14-16-44-17-15-40)19-30(22)39-32-31-23(2)29(20-41(31)36-21-35-32)34(43)37-24(3)25-8-5-4-6-9-25/h4-13,18-21,24H,14-17H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t24-/m0/s1","","2008-01-16","2011-06-04","5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",""],["A1ETB","4,7-diazaspiro[2.5]octan-7-yl-[6-fluoranyl-2-[1-(4-methylquinazolin-2-yl)azetidin-3-yl]imidazo[1,2-a]pyridin-3-yl]methanone","C26 H26 F N7 O","Cc1nc(nc2ccccc12)N3CC(C3)c4nc5ccc(F)cn5c4C(=O)N6CCNC7(CC7)C6;Cc1c2ccccc2nc(n1)N3CC(C3)c4c(n5cc(ccc5n4)F)C(=O)N6CCNC7(C6)CC7","InChI=1S/C26H26FN7O/c1-16-19-4-2-3-5-20(19)30-25(29-16)33-12-17(13-33)22-23(34-14-18(27)6-7-21(34)31-22)24(35)32-11-10-28-26(15-32)8-9-26/h2-7,14,17,28H,8-13,15H2,1H3","","2025-07-10","2026-01-30","4,7-diazaspiro[2.5]octan-7-yl-[6-fluoranyl-2-[1-(4-methylquinazolin-2-yl)azetidin-3-yl]imidazo[1,2-a]pyridin-3-yl]methanone","2026-02-04"],["A1ETD","(2S)-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one","C22 H28 Cl2 N4 O2","CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(Cl)c(Cl)c2C1=O)C4CCCC4;CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCc3[nH]nnn3)C4CCCC4","InChI=1S/C22H28Cl2N4O2/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(19(23)20(24)18(14)21(22)29)30-11-6-9-17-25-27-28-26-17/h12,15H,2-11,13H2,1H3,(H,25,26,27,28)/t22-/m0/s1","","2025-07-10","2025-09-12","(2~{S})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)propoxy]-3~{H}-inden-1-one","2025-09-17"],["P3A","PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL","C41 H78 O15 P2","O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=C/CCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C41H80O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(45)51-35-39(56-41(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-55-58(49,50)54-34-38(44)33-53-57(47,48)52-32-37(43)31-42/h14,16,37-39,42-44H,3-13,15,17-36H2,1-2H3,(H,47,48)(H,49,50)/p-2/b16-14-/t37-,38+,39+/m0/s1","","2005-04-25","2012-01-05","(2S)-2,3-dihydroxypropyl (2R,8R)-8-[(9Z)-hexadec-9-enoyloxy]-2-hydroxy-5,5-dioxido-11-oxo-4,6,10-trioxa-5-phosphahexacos-1-yl phosphate (non-preferred name)",""],["P3B","(3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid","C15 H19 N2 O9 P","OP(O)(=O)OCC1=CNC(C)=C(C1=[C@H]N=C2/C=C(C(O)=O)CC(C2O)O)O;CC1=C(O)C(=CN=C2C=C(C[CH](O)[CH]2O)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C2C=C(CC(C2O)O)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C15H19N2O9P/c1-7-13(19)10(9(4-16-7)6-26-27(23,24)25)5-17-11-2-8(15(21)22)3-12(18)14(11)20/h2,4-5,12,14,16,18-20H,3,6H2,1H3,(H,21,22)(H2,23,24,25)/b10-5-,17-11+/t12-,14-/m1/s1","","2015-05-15","2015-10-09","(3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid","2015-10-14"],["A1ETE","(2S)-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one","C23 H30 F2 N4 O2","CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(F)c(F)c2C1=O)C4CCCCC4;CCCCC1(Cc2cc(c(c(c2C1=O)F)F)OCCCc3[nH]nnn3)C4CCCCC4","InChI=1S/C23H30F2N4O2/c1-2-3-11-23(16-8-5-4-6-9-16)14-15-13-17(20(24)21(25)19(15)22(23)30)31-12-7-10-18-26-28-29-27-18/h13,16H,2-12,14H2,1H3,(H,26,27,28,29)/t23-/m0/s1","","2025-07-10","2025-09-12","(2~{S})-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)propoxy]-3~{H}-inden-1-one","2025-09-17"],["P3C","TRICHLOROPLATINATE","Cl3 Pt","Cl[Pt-](Cl)Cl;Cl[Pt-](Cl)Cl;Cl[Pt-](Cl)Cl","InChI=1S/3ClH.Pt/h3*1H;/q;;;+2/p-3","","2006-02-15","2021-07-23","trichloroplatinate(1-)","2021-07-28"],["A1ETK","5-[2-fluoranyl-6-oxidanyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one","C15 H15 F N4 O4 S","Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O)c3cnn4CCCCc34;c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3cnn4c3CCCC4","InChI=1S/C15H15FN4O4S/c16-11-5-9(10-7-17-19-4-2-1-3-12(10)19)6-13(21)15(11)20-8-14(22)18-25(20,23)24/h5-7,21H,1-4,8H2,(H,18,22)","","2025-07-11","2025-12-12","5-[2-fluoranyl-6-oxidanyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one","2025-12-17"],["P3D","(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C13 H22 N3 O5 P","O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C;Cc1ncc(CO[P](O)(O)=O)c(C=NCCCCCN)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O","InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+","PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER","2007-05-16","2020-06-17","(4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["P3E","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C28 H36 N10 O18 P3","Cc1cccc(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c7N=C(N)NC(=O)c27)c1;Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O","InChI=1S/C28H35N10O18P3/c1-11-3-2-4-12(5-11)6-36-10-38(22-16(36)24(44)35-28(30)33-22)26-20(42)18(40)14(54-26)8-52-58(47,48)56-59(49,50)55-57(45,46)51-7-13-17(39)19(41)25(53-13)37-9-31-15-21(37)32-27(29)34-23(15)43/h2-5,9-10,13-14,17-20,25-26,39-42H,6-8H2,1H3,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1","","2020-04-14","2020-04-24","[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","2020-04-29"],["A1ETX","(3~{S})-3-(1~{H}-benzimidazol-2-ylamino)-~{N}-(cyanomethyl)-~{N}-methyl-3-[3-(trifluoromethyl)phenyl]propanamide","C20 H18 F3 N5 O","CN(CC#N)C(=O)C[CH](Nc1[nH]c2ccccc2n1)c3cccc(c3)C(F)(F)F;CN(CC#N)C(=O)CC(c1cccc(c1)C(F)(F)F)Nc2[nH]c3ccccc3n2","InChI=1S/C20H18F3N5O/c1-28(10-9-24)18(29)12-17(13-5-4-6-14(11-13)20(21,22)23)27-19-25-15-7-2-3-8-16(15)26-19/h2-8,11,17H,10,12H2,1H3,(H2,25,26,27)/t17-/m0/s1","","2025-07-17","2026-03-06","(3~{S})-3-(1~{H}-benzimidazol-2-ylamino)-~{N}-(cyanomethyl)-~{N}-methyl-3-[3-(trifluoromethyl)phenyl]propanamide","2026-03-11"],["A1EUI","5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","C20 H20 O7","COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2;COc1ccc(cc1)C2=CC(=O)c3c(c(c(c(c3OC)OC)OC)OC)O2","InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3","Tangeretin","2025-07-29","2026-04-17","5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","2026-04-22"],["P3F","PHOSPHORIC ACID MONO-(5-HYDROXY-6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-PYRIDIN-3-YLMETHYL)ESTER","C18 H18 F3 N4 O7 P","FC(F)(F)c1ccccc1C(=O)NCC(=O)N/N=C/c2c(cnc(c2O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)O","InChI=1S/C18H18F3N4O7P/c1-10-16(27)13(11(6-22-10)9-32-33(29,30)31)7-24-25-15(26)8-23-17(28)12-4-2-3-5-14(12)18(19,20)21/h2-7,27H,8-9H2,1H3,(H,23,28)(H,25,26)(H2,29,30,31)/b24-7+","","2006-01-31","2011-06-04","{5-hydroxy-6-methyl-4-[(E)-{[({[2-(trifluoromethyl)phenyl]carbonyl}amino)acetyl]hydrazono}methyl]pyridin-3-yl}methyl dihydrogen phosphate (non-preferred name)",""],["P3G","3,6,9,12,15-PENTAOXAHEPTADECANE","C12 H26 O5","O(CC)CCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCC","InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3","","2003-09-17","2011-06-04","3,6,9,12,15-pentaoxaheptadecane",""],["A1EUN","(3S)-3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione","C24 H21 N3 O4","COc1ccc(Cn2cc(cn2)c3ccc4c(occ4[CH]5CCC(=O)NC5=O)c3)cc1;COc1ccc(cc1)Cn2cc(cn2)c3ccc4c(c3)occ4C5CCC(=O)NC5=O","InChI=1S/C24H21N3O4/c1-30-18-5-2-15(3-6-18)12-27-13-17(11-25-27)16-4-7-19-21(14-31-22(19)10-16)20-8-9-23(28)26-24(20)29/h2-7,10-11,13-14,20H,8-9,12H2,1H3,(H,26,28,29)/t20-/m0/s1","","2025-07-30","2026-04-17","(3~{S})-3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione","2026-04-22"],["P3H","[(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate","C35 H63 O13 P","CCCCCCCCC=CCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O","InChI=1S/C35H63O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-29(37)47-27(25-45-28(36)23-21-19-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h14-15,17-18,27,30-35,38-42H,3-13,16,19-26H2,1-2H3,(H,43,44)/b15-14-,18-17-/t27-,30-,31-,32+,33-,34-,35-/m1/s1","","2019-09-20","2020-06-19","[(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate","2020-06-24"],["A1EUP","(1~{S},3~{R},4~{R},5~{R})-1-[[(1~{R},2~{S})-2-(4-chlorophenyl)cyclopropyl]methoxy]-3-[(~{Z})-3-imidazo[4,5-b]pyridin-1-yl-3-phenyl-prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid","C32 H30 Cl N3 O7","O[CH]1C[C](C[CH](OC(=O)C=C(n2cnc3ncccc23)c4ccccc4)[CH]1O)(OC[CH]5C[CH]5c6ccc(Cl)cc6)C(O)=O;c1ccc(cc1)C(=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)OCC3CC3c4ccc(cc4)Cl)n5cnc6c5cccn6","InChI=1S/C32H30ClN3O7/c33-22-10-8-19(9-11-22)23-13-21(23)17-42-32(31(40)41)15-26(37)29(39)27(16-32)43-28(38)14-25(20-5-2-1-3-6-20)36-18-35-30-24(36)7-4-12-34-30/h1-12,14,18,21,23,26-27,29,37,39H,13,15-17H2,(H,40,41)/b25-14-/t21-,23+,26+,27+,29+,32-/m0/s1","","2025-08-01","2025-11-14","(1~{S},3~{R},4~{R},5~{R})-1-[[(1~{R},2~{S})-2-(4-chlorophenyl)cyclopropyl]methoxy]-3-[(~{Z})-3-imidazo[4,5-b]pyridin-1-yl-3-phenyl-prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid","2025-11-19"],["P3I","N-(6-Amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide","C18 H17 Br N4 O4 S","CN(C1=C(N)N(Cc2ccccc2Br)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3","InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)13-8-3-2-4-9-13)15-16(20)23(18(25)21-17(15)24)11-12-7-5-6-10-14(12)19/h2-10H,11,20H2,1H3,(H,21,24,25)","","2016-01-14","2017-02-17","N-[6-azanyl-1-[(2-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide","2017-02-22"],["A1EUW","Artemisinin","C15 H22 O5","C[CH]1CC[CH]2[CH](C)C(=O)O[CH]3O[C]4(C)CC[CH]1[C]23OO4;CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C","InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1","(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one","2025-08-05","2026-04-17","","2026-04-22"],["P3J","3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE","C8 H8 N4","n1cccc(c1)c2nnc(c2)N;Nc1[nH]nc(c1)c2cccnc2;c1cc(cnc1)c2cc([nH]n2)N","InChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12)","","2012-10-05","2014-09-05","3-(pyridin-3-yl)-1H-pyrazol-5-amine","2013-06-26"],["A1EV1","~{N}-[(3-azanyloxetan-3-yl)methyl]-2-[1,1-bis(oxidanylidene)-3,5-dihydro-2~{H}-1$l^{6},4-benzothiazepin-4-yl]-6-methyl-quinazolin-4-amine","C22 H25 N5 O3 S","Cc1ccc2nc(nc(NCC3(N)COC3)c2c1)N4CC[S](=O)(=O)c5ccccc5C4;Cc1ccc2c(c1)c(nc(n2)N3CCS(=O)(=O)c4ccccc4C3)NCC5(COC5)N","InChI=1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,25,26)","Ziresovir","2025-08-22","2026-01-09","~{N}-[(3-azanyloxetan-3-yl)methyl]-2-[1,1-bis(oxidanylidene)-3,5-dihydro-2~{H}-1$l^{6},4-benzothiazepin-4-yl]-6-methyl-quinazolin-4-amine","2026-01-14"],["P3K","2,3-bis(oxidanyl)benzenecarbonitrile","C7 H5 N O2","Oc1cccc(C#N)c1O;c1cc(c(c(c1)O)O)C#N","InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H","","2020-04-14","2020-12-25","2,3-bis(oxidanyl)benzenecarbonitrile","2020-12-30"],["A1EVP","1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid","C28 H34 F N3 O5","CCOc1cc(CN2CC3(C2)CC(=NO3)N4CCC(CC4)C(O)=O)cc(OCC)c1c5ccc(F)cc5;CCOc1cc(cc(c1c2ccc(cc2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O","InChI=1S/C28H34FN3O5/c1-3-35-23-13-19(14-24(36-4-2)26(23)20-5-7-22(29)8-6-20)16-31-17-28(18-31)15-25(30-37-28)32-11-9-21(10-12-32)27(33)34/h5-8,13-14,21H,3-4,9-12,15-18H2,1-2H3,(H,33,34)","SSTR5 antagonist 1","2025-08-17","2026-01-16","1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid","2026-01-21"],["A1EVQ","4-[8-[(2-cyclopropyl-5-ethoxy-4-methyl-phenyl)methyl]-2-oxidanylidene-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid","C27 H33 N3 O4","CCOc1cc(CN2CCC3(CC2)CN(C(=O)N3)c4ccc(cc4)C(O)=O)c(cc1C)C5CC5;CCOc1cc(c(cc1C)C2CC2)CN3CCC4(CC3)CN(C(=O)N4)c5ccc(cc5)C(=O)O","InChI=1S/C27H33N3O4/c1-3-34-24-15-21(23(14-18(24)2)19-4-5-19)16-29-12-10-27(11-13-29)17-30(26(33)28-27)22-8-6-20(7-9-22)25(31)32/h6-9,14-15,19H,3-5,10-13,16-17H2,1-2H3,(H,28,33)(H,31,32)","","2025-08-17","2026-01-16","4-[8-[(2-cyclopropyl-5-ethoxy-4-methyl-phenyl)methyl]-2-oxidanylidene-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid","2026-01-21"],["P3L","(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C15 H17 Cl N2 O3","O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21;Clc1ccc2OCC[CH](C(=O)N[CH]3CCNC(=O)C3)c2c1;c1cc2c(cc1Cl)C(CCO2)C(=O)NC3CCNC(=O)C3","InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["P3N","N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide","C32 H38 N6 O5","O=C(NCc1ccc(cc1)C)C(NC(=O)C(NC(=O)c2noc(c2)C)Cc3nc(no3)C(C)(C)C)CCc4ccccc4;Cc1onc(c1)C(=O)N[CH](Cc2onc(n2)C(C)(C)C)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccc(C)cc4;Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C(Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C","InChI=1S/C32H38N6O5/c1-20-11-13-23(14-12-20)19-33-28(39)24(16-15-22-9-7-6-8-10-22)34-29(40)25(35-30(41)26-17-21(2)42-37-26)18-27-36-31(38-43-27)32(3,4)5/h6-14,17,24-25H,15-16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,41)/t24-,25-/m0/s1","","2011-06-21","2012-06-08","N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide",""],["A1EVT","(3~{R})-7-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-1-one","C28 H27 F4 N O3","COCCOC[CH]1Cc2ccc(Cc3ccc(F)cc3)cc2C(=O)N1Cc4ccc(cc4)C(F)(F)F;COCCOCC1Cc2ccc(cc2C(=O)N1Cc3ccc(cc3)C(F)(F)F)Cc4ccc(cc4)F","InChI=1S/C28H27F4NO3/c1-35-12-13-36-18-25-16-22-7-2-21(14-19-5-10-24(29)11-6-19)15-26(22)27(34)33(25)17-20-3-8-23(9-4-20)28(30,31)32/h2-11,15,25H,12-14,16-18H2,1H3/t25-/m1/s1","","2025-08-19","2026-04-17","(3~{R})-7-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-1-one","2026-04-22"],["P3O","3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile","C23 H21 Cl N4 O2","Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O)Cc1cccc(C#N)c1;CN1C(=O)N(Cc2ccc(Cl)cc2)C(=O)C3=C1CCN(Cc4cccc(c4)C#N)C3;CN1C2=C(CN(CC2)Cc3cccc(c3)C#N)C(=O)N(C1=O)Cc4ccc(cc4)Cl","InChI=1S/C23H21ClN4O2/c1-26-21-9-10-27(13-18-4-2-3-17(11-18)12-25)15-20(21)22(29)28(23(26)30)14-16-5-7-19(24)8-6-16/h2-8,11H,9-10,13-15H2,1H3","","2022-05-24","2023-01-06","3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile","2023-01-11"],["A1EVZ","~{tert}-butyl (2~{S})-2-methyl-5-oxidanylidene-piperidine-1-carboxylate","C11 H19 N O3","C[CH]1CCC(=O)CN1C(=O)OC(C)(C)C;CC1CCC(=O)CN1C(=O)OC(C)(C)C","InChI=1S/C11H19NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1","","2025-08-22","2026-01-30","~{tert}-butyl (2~{S})-2-methyl-5-oxidanylidene-piperidine-1-carboxylate","2026-02-04"],["P3P","(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID","C5 H13 N O7 P2","O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C;C[P](=O)(CC[CH](N)C(O)=O)O[P](O)(O)=O;CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O","InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1","PHOSPHINOTHRICIN PHOSPHATE","2005-09-27","2021-03-01","(2S)-2-amino-4-[(R)-methyl(phosphonooxy)phosphoryl]butanoic acid",""],["A1EW0","(3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{R})-2,3,3~{a},4-tetrahydro-1~{H}-pyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole","C21 H24 N4","CN1CC[C]2([CH]1Nc3ccccc23)[C]45CCN[CH]4Nc6ccccc56;CN1CCC2(C1Nc3c2cccc3)C45CCNC4Nc6c5cccc6","InChI=1S/C21H24N4/c1-25-13-11-21(15-7-3-5-9-17(15)24-19(21)25)20-10-12-22-18(20)23-16-8-4-2-6-14(16)20/h2-9,18-19,22-24H,10-13H2,1H3/t18-,19-,20-,21+/m0/s1","","2025-09-03","2026-03-27","(3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{R})-2,3,3~{a},4-tetrahydro-1~{H}-pyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole","2026-04-01"],["A1EW5","[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (~{Z})-octadec-9-enoate","C39 H72 O5","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-/m0/s1","1,2-Dioleoyl-sn-glycerol","2025-09-05","2025-10-31","[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (~{Z})-octadec-9-enoate","2025-11-05"],["P3Q","2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine","C21 H24 N2 O5","N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O;c1ccc(cc1)CCCC(=CC=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N","InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1","","2009-11-19","2024-09-27","(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid",""],["P3R","(5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one","C14 H19 N O3","COc1cc2CCN(C)C(=O)[CH](C)c2cc1OC;CC1c2cc(c(cc2CCN(C1=O)C)OC)OC","InChI=1S/C14H19NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h7-9H,5-6H2,1-4H3/t9-/m1/s1","","2022-09-30","2022-11-25","(5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one","2022-11-30"],["A1EWE","3-(3-((2S,3S,5S,5aR,6S,12cR)-11-(tert-butyl)-2,6-dimethyl-7-oxo-1,2,3,4,5,5a,6,7-octahydro-2,5-epoxy-3,12c-methanobenzo[b]cyclohepta[5,6]benzo[1,2-d]thiophen-6-yl)propanamido)-2,4-dihydroxybenzoic acid","C34 H37 N O7 S","CC(C)(C)c1ccc2sc3C(=O)[C](C)(CCC(=O)Nc4c(O)ccc(C(O)=O)c4O)[CH]5[CH]6C[CH]7C[C]5(C[C]7(C)O6)c3c2c1;CC12CC34CC1CC(C3C(C(=O)c5c4c6cc(ccc6s5)C(C)(C)C)(C)CCC(=O)Nc7c(ccc(c7O)C(=O)O)O)O2","InChI=1S/C34H37NO7S/c1-31(2,3)16-6-9-22-19(12-16)24-27(43-22)29(39)32(4,28-21-13-17-14-34(24,28)15-33(17,5)42-21)11-10-23(37)35-25-20(36)8-7-18(26(25)38)30(40)41/h6-9,12,17,21,28,36,38H,10-11,13-15H2,1-5H3,(H,35,37)(H,40,41)/t17-,21+,28+,32+,33+,34+/m1/s1","","2025-08-28","2026-01-23","","2026-01-28"],["P3S","L-METHIONINE-S-SULFOXIMINE PHOSPHATE","C5 H13 N2 O6 P S","O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O;C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O;CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N","InChI=1S/C5H13N2O6PS/c1-15(13,7-14(10,11)12)3-2-4(6)5(8)9/h4H,2-3,6H2,1H3,(H,8,9)(H2,10,11,12)/t4-,15-/m0/s1","","2005-06-23","2011-06-04","(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoic acid",""],["A1EWS","(6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone","C27 H24 Br Cl F N3 O","Fc1ccc2N(CC3(CCN(CC3)CC=Cc4ccc(Cl)cc4)c2c1)C(=O)c5ccc(Br)nc5;c1cc(ccc1C=CCN2CCC3(CC2)CN(c4c3cc(cc4)F)C(=O)c5ccc(nc5)Br)Cl","InChI=1S/C27H24BrClFN3O/c28-25-10-5-20(17-31-25)26(34)33-18-27(23-16-22(30)8-9-24(23)33)11-14-32(15-12-27)13-1-2-19-3-6-21(29)7-4-19/h1-10,16-17H,11-15,18H2/b2-1+","","2025-09-02","2025-10-31","(6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone","2025-11-05"],["P3T","(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C12 H22 N3 O5 P","O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C;Cc1ncc(CO[P](O)(O)=O)c(CNCCCCN)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O","InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19)","PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER","2007-05-16","2024-09-27","(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["P3U","2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE","C24 H30 Cl2 N6 O2 S","Clc3cc(c2ccnc(N1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC(C)C)C)C;CC(C)Cc1nn(C)c(C)c1N[S](=O)(=O)c2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4;Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl","InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3","","2013-10-09","2014-09-12","2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(piperazin-1-yl)pyridin-4-yl]benzenesulfonamide","2014-09-17"],["A1EX3","4-[(4-chlorophenyl)methyl]-1-furo[3,2-c]pyridin-4-yl-piperidin-4-amine","C19 H20 Cl N3 O","NC1(CCN(CC1)c2nccc3occc23)Cc4ccc(Cl)cc4;c1cc(ccc1CC2(CCN(CC2)c3c4ccoc4ccn3)N)Cl","InChI=1S/C19H20ClN3O/c20-15-3-1-14(2-4-15)13-19(21)7-10-23(11-8-19)18-16-6-12-24-17(16)5-9-22-18/h1-6,9,12H,7-8,10-11,13,21H2","","2025-09-12","2026-04-24","4-[(4-chlorophenyl)methyl]-1-furo[3,2-c]pyridin-4-yl-piperidin-4-amine","2026-04-29"],["P3V","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate","C27 H37 N3 O8 S","Nc1ccc(cc1)S(=O)(=O)N(CC(C(Cc2ccccc2)NC(=O)OC3C4C(OC3)OCC4)(O)O)CC(C)C;CC(C)CN(CC(O)(O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C27H37N3O8S/c1-18(2)15-30(39(34,35)21-10-8-20(28)9-11-21)17-27(32,33)24(14-19-6-4-3-5-7-19)29-26(31)38-23-16-37-25-22(23)12-13-36-25/h3-11,18,22-25,32-33H,12-17,28H2,1-2H3,(H,29,31)/t22-,23-,24-,25+/m0/s1","","2019-07-25","2020-06-19","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate","2020-06-24"],["A1EX4","6-[4-[[4-azanyl-1-[7-[bis(fluoranyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]phenyl]-2,3-dihydroisoindol-1-one","C27 H26 F2 N6 O","NC1(CCN(CC1)c2ncnc3n(ccc23)C(F)F)Cc4ccc(cc4)c5ccc6CNC(=O)c6c5;c1cc(ccc1CC2(CCN(CC2)c3c4ccn(c4ncn3)C(F)F)N)c5ccc6c(c5)C(=O)NC6","InChI=1S/C27H26F2N6O/c28-26(29)35-10-7-21-23(32-16-33-24(21)35)34-11-8-27(30,9-12-34)14-17-1-3-18(4-2-17)19-5-6-20-15-31-25(36)22(20)13-19/h1-7,10,13,16,26H,8-9,11-12,14-15,30H2,(H,31,36)","","2025-09-12","2026-04-24","6-[4-[[4-azanyl-1-[7-[bis(fluoranyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]phenyl]-2,3-dihydroisoindol-1-one","2026-04-29"],["P3X","(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate","C35 H68 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCC=CCCCC)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)COP(=O)(O)OCCN","InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10+/t33-/m1/s1","","2022-12-16","2023-02-03","(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate","2023-02-08"],["A1EY2","(~{R})-(4-phenylphenyl)-thiophen-2-yl-methanamine","C17 H15 N S","N[CH](c1sccc1)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)C(c3cccs3)N","InChI=1S/C17H15NS/c18-17(16-7-4-12-19-16)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17H,18H2/t17-/m1/s1","","2025-10-16","2025-10-24","(~{R})-(4-phenylphenyl)-thiophen-2-yl-methanamine","2025-10-29"],["A1EY3","(~{R})-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine","C16 H13 F N2 S","N[CH](c1ccc(cc1)c2ccccc2F)c3sccn3;c1ccc(c(c1)c2ccc(cc2)C(c3nccs3)N)F","InChI=1S/C16H13FN2S/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15(18)16-19-9-10-20-16/h1-10,15H,18H2/t15-/m1/s1","","2025-10-16","2025-10-24","(~{R})-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine","2025-10-29"],["P3Y","5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE","C22 H20 N4 O2","O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccccc3OC)cnc4;COc1ccccc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C;CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC","InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)","","2007-08-02","2011-06-04","5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide",""],["A1EY5","(3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide","C24 H25 N3 O2 S","O=C(CNC(=O)[CH]1CCNC1)N[CH](c2sccc2)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)C(c3cccs3)NC(=O)CNC(=O)C4CCNC4","InChI=1S/C24H25N3O2S/c28-22(16-26-24(29)20-12-13-25-15-20)27-23(21-7-4-14-30-21)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,14,20,23,25H,12-13,15-16H2,(H,26,29)(H,27,28)/t20-,23-/m1/s1","","2025-10-16","2025-10-24","(3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide","2025-10-29"],["P3Z","(S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol","C15 H16 N2 O2","OC(c1cncnc1)(c2ccc(OC)cc2)C3CC3;COc1ccc(cc1)[C](O)(C2CC2)c3cncnc3;COc1ccc(cc1)C(c2cncnc2)(C3CC3)O","InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3/t15-/m0/s1","","2010-11-16","2011-06-04","(S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol",""],["P40","N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide","C25 H29 N5 O2","O=C(NC1CC1)c2cc(c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5;Cc1ccc(cc1c2ccc3nc(NCCN4CCOCC4)ncc3c2)C(=O)NC5CC5;Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5","InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)","N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide","2008-07-16","2021-03-01","N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide",""],["A1EY6","(3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide","C24 H24 F N3 O2 S","Fc1ccccc1c2ccc(cc2)[CH](NC(=O)CNC(=O)[CH]3CCNC3)c4sccc4;c1ccc(c(c1)c2ccc(cc2)C(c3cccs3)NC(=O)CNC(=O)C4CCNC4)F","InChI=1S/C24H24FN3O2S/c25-20-5-2-1-4-19(20)16-7-9-17(10-8-16)23(21-6-3-13-31-21)28-22(29)15-27-24(30)18-11-12-26-14-18/h1-10,13,18,23,26H,11-12,14-15H2,(H,27,30)(H,28,29)/t18-,23-/m1/s1","","2025-10-16","2025-10-24","(3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide","2025-10-29"],["P41","6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine","C19 H16 F N3 O S","Fc1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C;CC(C)Nc1sc2cc(ccc2n1)c3ocnc3c4ccccc4F;CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F","InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)","","2008-02-04","2011-06-04","6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine",""],["A1EYK","(4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-ol","C40 H58 O","CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O;CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)C)C)C)C","InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+","Demethylspheroidene","2025-09-21","2026-03-06","(4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-ol","2026-03-11"],["P42","(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate","C42 H88 N O8 P","[O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC[CH](O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(CCCCCCCCCCCCCCC)O","InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1","1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine","2008-11-25","2020-06-17","(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate",""],["A1EYL","(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-3,6-bis(3,4-dimethoxyphenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan","C22 H26 O6","COc1ccc(cc1OC)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(OC)c(OC)c4;COc1ccc(cc1OC)C2C3COC(C3CO2)c4ccc(c(c4)OC)OC","InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1","","2025-09-22","2026-02-06","(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-3,6-bis(3,4-dimethoxyphenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan","2026-02-11"],["A1EYP","(2S)-2-azanyl-6-[[(1S,4R,5S)-4-methyl-5-(nitromethyl)-4-phenyl-cyclohex-2-en-1-yl]amino]hexanoic acid","C20 H29 N3 O4","C[C]1(C=C[CH](C[CH]1C[N+]([O-])=O)NCCCC[CH](N)C(O)=O)c2ccccc2;CC1(C=CC(CC1C[N+](=O)[O-])NCCCCC(C(=O)O)N)c2ccccc2","InChI=1S/C20H29N3O4/c1-20(15-7-3-2-4-8-15)11-10-17(13-16(20)14-23(26)27)22-12-6-5-9-18(21)19(24)25/h2-4,7-8,10-11,16-18,22H,5-6,9,12-14,21H2,1H3,(H,24,25)/t16-,17-,18+,20+/m1/s1","","2025-09-23","2026-02-06","(2~{S})-2-azanyl-6-[[(1~{S},4~{R},5~{S})-4-methyl-5-(nitromethyl)-4-phenyl-cyclohex-2-en-1-yl]amino]hexanoic acid","2026-02-11"],["P43","1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine","C25 H23 F N2 O2","O=C(c2oc(C#Cc1ccccc1F)cc2)N4CCC(c3cccc(c3)CN)CC4;NCc1cccc(c1)C2CCN(CC2)C(=O)c3oc(cc3)C#Cc4ccccc4F;c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F","InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2","","2011-11-04","2014-09-05","{4-[3-(aminomethyl)phenyl]piperidin-1-yl}{5-[(2-fluorophenyl)ethynyl]furan-2-yl}methanone",""],["P44","2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","C19 H21 N7","N#Cc4cnn1c4nc(nc1Nc2ccccc2)NCC3CCCCC3;N#Cc1cnn2c(Nc3ccccc3)nc(NCC4CCCCC4)nc12;c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4","InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)","","2007-05-11","2011-06-04","2-[(cyclohexylmethyl)amino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile",""],["A1EZ0","(2~{S})-2-azanyl-3-[(~{R})-(3-fluorophenyl)-(2-phenylmethoxyphenyl)methoxy]propanoic acid","C23 H22 F N O4","N[CH](CO[CH](c1cccc(F)c1)c2ccccc2OCc3ccccc3)C(O)=O;c1ccc(cc1)COc2ccccc2C(c3cccc(c3)F)OCC(C(=O)O)N","InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22+/m0/s1","","2025-11-04","2025-11-14","(2~{S})-2-azanyl-3-[(~{R})-(3-fluorophenyl)-(2-phenylmethoxyphenyl)methoxy]propanoic acid","2025-11-19"],["P45","2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","C19 H14 Cl N7","Clc1ccc(cc1)CNc3nc2c(C#N)cnn2c(n3)Nc4ccccc4;Clc1ccc(CNc2nc(Nc3ccccc3)n4ncc(C#N)c4n2)cc1;c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl","InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)","","2007-05-11","2011-06-04","2-[(4-chlorobenzyl)amino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile",""],["A1EZI","[(2~{S})-2-hexadecanoyloxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexadecanoate","C36 H71 O8 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C36H71O8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41-3)44-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3,(H,39,40)/t34-/m0/s1","","2025-10-30","2026-01-30","[(2~{S})-2-hexadecanoyloxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexadecanoate","2026-02-04"],["P46","(3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide","C23 H27 N5 O6 S","c1(cc(c(cc1)S(=O)(=O)n3cc2cc(ccc2c3)NC4CCN(C(C(CC(=O)N)N)=O)CC4)O)O;N[CH](CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3cn(cc3c2)[S](=O)(=O)c4ccc(O)cc4O;c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)C(CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O","InChI=1S/C23H27N5O6S/c24-19(11-22(25)31)23(32)27-7-5-16(6-8-27)26-17-2-1-14-12-28(13-15(14)9-17)35(33,34)21-4-3-18(29)10-20(21)30/h1-4,9-10,12-13,16,19,26,29-30H,5-8,11,24H2,(H2,25,31)/t19-/m0/s1","","2016-04-05","2017-01-20","(3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide","2017-01-25"],["A1EZJ","(2~{R})-2-azanyl-3-[[(2~{R})-2-hexadecanoyloxy-3-pentadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","C37 H72 N O10 P","CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCC)CO[P](O)(=O)OC[CH](N)C(O)=O;CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N","InChI=1S/C37H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)48-33(31-46-49(43,44)47-32-34(38)37(41)42)30-45-35(39)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32,38H2,1-2H3,(H,41,42)(H,43,44)/t33-,34-/m1/s1","","2025-10-30","2026-01-30","(2~{R})-2-azanyl-3-[[(2~{R})-2-hexadecanoyloxy-3-pentadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","2026-02-04"],["A1EZM","(2S,3R)-3-methyl-2-oxidanyl-pentanoic acid","C6 H12 O3","CC[CH](C)[CH](O)C(O)=O;CCC(C)C(C(=O)O)O","InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m1/s1","","2025-10-31","2026-03-06","(2~{S},3~{R})-3-methyl-2-oxidanyl-pentanoic acid","2026-03-11"],["P47","(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid","C17 H15 Cl O2","Clc1ccc(cc1)CCC(c2ccccc2)=CC(=O)O;OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccccc2;c1ccc(cc1)C(=CC(=O)O)CCc2ccc(cc2)Cl","InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-","","2009-06-30","2011-06-04","(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid",""],["P48","N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE","C25 H32 N8 O","O=C(NC)c3nn(c2c1nc(ncc1CC(c23)(C)C)Nc4ccc(cc4)N5CCN(C)CC5)C;CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C)CC5)ncc3CC(C)(C)c12;CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C","InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)","","2009-05-13","2011-06-04","N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide",""],["1FV","N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide","C26 H36 N6 O2","O=C(NCCCNc1nc(ncc1C2CC2)Nc3cc(ccc3)CN4CCOCC4)C5CCC5;O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C4CC4)C5CCC5;c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5","InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)","MRT67307","2013-01-18","2020-06-17","N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide","2013-03-06"],["P49","1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid","C17 H15 N5 O2","O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc4)C;Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3c12;Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4","InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20)","","2009-05-14","2011-06-04","1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid",""],["1FW","(2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide","C20 H21 F N4 O2 S","O=C(Nc1nccs1)C(N3C=Nc2ccc(F)cc2C3=O)CC4CCCCC4;Fc1ccc2N=CN([CH](CC3CCCCC3)C(=O)Nc4sccn4)C(=O)c2c1;c1cc2c(cc1F)C(=O)N(C=N2)C(CC3CCCCC3)C(=O)Nc4nccs4","InChI=1S/C20H21FN4O2S/c21-14-6-7-16-15(11-14)19(27)25(12-23-16)17(10-13-4-2-1-3-5-13)18(26)24-20-22-8-9-28-20/h6-9,11-13,17H,1-5,10H2,(H,22,24,26)/t17-/m0/s1","","2013-01-18","2013-03-15","(2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide","2013-03-20"],["P4A","4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol","C17 H16 N2 O3","Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3;COc1ccc(cc1)c2c(C)[nH]nc2c3ccc(O)cc3O;Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC","InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)","3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole","2007-12-05","2020-06-17","4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol",""],["1FX","(2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide","C20 H21 F N4 O3 S","O=C(Nc1nccs1)C(N3C(=O)c2cc(F)ccc2NC3=O)CC4CCCCC4;Fc1ccc2NC(=O)N([CH](CC3CCCCC3)C(=O)Nc4sccn4)C(=O)c2c1;c1cc2c(cc1F)C(=O)N(C(=O)N2)C(CC3CCCCC3)C(=O)Nc4nccs4","InChI=1S/C20H21FN4O3S/c21-13-6-7-15-14(11-13)18(27)25(20(28)23-15)16(10-12-4-2-1-3-5-12)17(26)24-19-22-8-9-29-19/h6-9,11-12,16H,1-5,10H2,(H,23,28)(H,22,24,26)/t16-/m0/s1","","2013-01-18","2013-03-15","(2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide","2013-03-20"],["1FY","(2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide","C17 H26 N4 O4 S2","O=C(Nc1nccs1)C(N2C(=O)CN(S(=O)(=O)C)CC2)CC3CCCCC3;C[S](=O)(=O)N1CCN([CH](CC2CCCCC2)C(=O)Nc3sccn3)C(=O)C1;CS(=O)(=O)N1CCN(C(=O)C1)C(CC2CCCCC2)C(=O)Nc3nccs3","InChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23)/t14-/m0/s1","","2013-01-18","2013-03-15","(2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide","2013-03-20"],["P4B","(2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid","C6 H14 N2 O3","C[CH](O)N[CH](CCN)C(O)=O;CC(NC(CCN)C(=O)O)O","InChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1","","2020-04-14","2020-05-15","(2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid","2020-05-20"],["P4C","O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL","C14 H28 O8","O=CCOCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCC=O;C(COCCOCCOCCOCCOCCOCC=O)O","InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2","POLYETHYLENE 400","1999-07-08","2021-03-01","20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-al",""],["1FZ","5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine","C10 H18 N3 O13 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H18N3O13P3/c1-5-3-13(10(16)11-9(5)15)8-2-6(14)7(25-8)4-24-27(17,18)12-28(19,20)26-29(21,22)23/h3,6-8,14H,2,4H2,1H3,(H,11,15,16)(H2,21,22,23)(H3,12,17,18,19,20)/t6-,7+,8+/m0/s1","","2013-01-18","2013-04-05","5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine","2013-04-10"],["1G0","cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol","C22 H20 N4 O2","n1ccn2c(c1N)c(nc2C3CC(O)C3)c5ccc(Oc4ccccc4)cc5;Nc1nccn2c(nc(c3ccc(Oc4ccccc4)cc3)c12)[CH]5C[CH](O)C5;c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N","InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+","","2013-01-22","2013-01-25","cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol","2013-01-25"],["P4D","(2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid","C13 H18 N O7 P","O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O;c1cc(ccc1CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O)O","InChI=1S/C13H18NO7P/c14-11(5-8-1-3-10(15)4-2-8)22(20,21)7-9(13(18)19)6-12(16)17/h1-4,9,11,15H,5-7,14H2,(H,16,17)(H,18,19)(H,20,21)/t9-,11+/m0/s1","L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE","2011-05-18","2020-06-17","(2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid",""],["P4E","(2S,4E)-2-amino-5-phenylpent-4-enoic acid","C11 H13 N O2","O=C(O)C(N)C/C=C/c1ccccc1;N[CH](CC=Cc1ccccc1)C(O)=O;c1ccc(cc1)C=CCC(C(=O)O)N","InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1","","2011-10-13","2024-09-27","(2S,4E)-2-amino-5-phenylpent-4-enoic acid",""],["1G1","N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form","C33 H49 N7 O5 S","NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)/N=[N+]=[N-])cc1;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-]","InChI=1S/C33H49N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-14,22-23,27-30H,15-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/t27-,28+,29+,30+/m1/s1","","2013-01-22","2024-09-27","N-[(2S)-2-azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide","2013-01-25"],["1G2","(2S)-2-azido-3-phenylpropanoic acid","C9 H9 N3 O2","O=C(O)C(/N=[N+]=[N-])Cc1ccccc1;OC(=O)[CH](Cc1ccccc1)N=[N+]=[N-];c1ccc(cc1)CC(C(=O)O)N=[N+]=[N-]","InChI=1S/C9H9N3O2/c10-12-11-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1","","2013-01-22","2019-12-11","(2S)-2-azido-3-phenylpropanoic acid","2013-01-25"],["P4F","5,5-difluoro-4-oxo-5-phosphono-D-norvaline","C5 H8 F2 N O6 P","O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N;N[CH](CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O","InChI=1S/C5H8F2NO6P/c6-5(7,15(12,13)14)3(9)1-2(8)4(10)11/h2H,1,8H2,(H,10,11)(H2,12,13,14)/t2-/m1/s1","","2010-12-21","2011-12-30","5,5-difluoro-4-oxo-5-phosphono-D-norvaline",""],["P4G","1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE","C8 H18 O3","O(CCOCCOCC)CC;CCOCCOCCOCC;CCOCCOCCOCC","InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3","","2006-05-15","2011-06-04","1-ethoxy-2-(2-ethoxyethoxy)ethane",""],["1G3","(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine","C12 H20 N2 O2 S","O=S(=O)(C)CCC(N)Cc1ccc(cc1)CN;C[S](=O)(=O)CC[CH](N)Cc1ccc(CN)cc1;CS(=O)(=O)CCC(Cc1ccc(cc1)CN)N","InChI=1S/C12H20N2O2S/c1-17(15,16)7-6-12(14)8-10-2-4-11(9-13)5-3-10/h2-5,12H,6-9,13-14H2,1H3/t12-/m1/s1","","2013-01-22","2020-02-14","(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine","2013-01-25"],["P4H","[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone","C13 H10 O5","Oc1ccc(c(O)c1)C(=O)c2ccc(O)c(O)c2;c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O","InChI=1S/C13H10O5/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,14-17H","","2020-04-15","2021-02-19","[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone","2021-02-24"],["1G4","(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one","C18 H20 N2 O3","O=C2NC(Cc1ccc(O)cc1)CNC2Cc3ccc(O)cc3;Oc1ccc(C[CH]2CN[CH](Cc3ccc(O)cc3)C(=O)N2)cc1;c1cc(ccc1CC2CNC(C(=O)N2)Cc3ccc(cc3)O)O","InChI=1S/C18H20N2O3/c21-15-5-1-12(2-6-15)9-14-11-19-17(18(23)20-14)10-13-3-7-16(22)8-4-13/h1-8,14,17,19,21-22H,9-11H2,(H,20,23)/t14-,17-/m0/s1","","2013-01-22","2013-04-26","(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one","2013-05-01"],["P4I","3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile","C22 H19 Br N4 O","Brc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O;Brc1ccc(CN2C=NC3=C(CN(CC3)Cc4cccc(c4)C#N)C2=O)cc1;c1cc(cc(c1)C#N)CN2CCC3=C(C2)C(=O)N(C=N3)Cc4ccc(cc4)Br","InChI=1S/C22H19BrN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2","","2022-05-24","2023-01-06","3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile","2023-01-11"],["1G5","HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form","C28 H40 N4 O7 S","O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)c1cccc(O)c1C)C(C)C)CO)Cc2ccc(cc2)CN;CC(C)[CH](NC(=O)c1cccc(O)c1C)C(=O)N[CH](CO)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2;Cc1c(cccc1O)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CCS(=O)(=O)C)Cc2ccc(cc2)CN","InChI=1S/C28H40N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-11,17,21,23,25,33-34H,12-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t21-,23+,25+/m1/s1","","2013-01-22","2024-09-27","N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-yl]-L-serinamide","2013-01-25"],["1G6","N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form","C37 H50 N8 O5 S","NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1;CC(C)C[CH](NC(=O)[CH](Cc1ccc(CN)cc1)NC(=O)[CH](Cc2ccccc2)N=[N+]=[N-])C(=O)N[CH](CC[S](C)(=O)=O)Cc3ccc(CN)cc3;CC(C)CC(C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccc(cc2)CN)NC(=O)C(Cc3ccccc3)N=[N+]=[N-]","InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1","","2013-01-22","2024-09-27","4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide","2013-01-25"],["P4J","[(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium","C8 H9 N2 O22 V6","C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2;O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[CH]1O[CH]([CH](O[V])[CH]1O[V]O[V]O[V])n2ccnc2;c1cn(cn1)C2C(C(C(O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O]","InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-8H,3H2;15*1H2;;;;;;;;;/q-3;;;;;;;;;;;;;;;;;;;+2;4*+3;+4/p-15/t5-,6+,7+,8+;;;;;;;;;;;;;;;;;;;;;;;;/m0......................../s1","","2019-07-30","2020-05-18","vanadium(4+) hydroxide dihydroxy(dioxido)vanadium (2R,3R,4R,5S)-2-(1H-imidazol-1-yl)-5-(oxidomethyl)tetrahydrofuran-3,4-diolate trihydroxy(oxido)vanadium (4:10:1:1:1) (non-preferred name)","2020-04-29"],["P4K","polyethylene glycol","C30 H62 O15","OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3","3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol","2017-04-14","2021-03-13","3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol","2017-10-25"],["1G7","(3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione","C18 H18 N2 O5","O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3cc(O)c(O)cc3;Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(O)c3)NC2=O)cc1;c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(c3)O)O)O","InChI=1S/C18H18N2O5/c21-12-4-1-10(2-5-12)7-13-17(24)20-14(18(25)19-13)8-11-3-6-15(22)16(23)9-11/h1-6,9,13-14,21-23H,7-8H2,(H,19,25)(H,20,24)/t13-,14-/m0/s1","","2013-01-22","2013-04-26","(3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione","2013-05-01"],["1G8","4-(aminomethyl)-D-phenylalanine","C10 H14 N2 O2","O=C(O)C(N)Cc1ccc(cc1)CN;NCc1ccc(C[CH](N)C(O)=O)cc1;c1cc(ccc1CC(C(=O)O)N)CN","InChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1","","2013-01-22","2019-12-11","4-(aminomethyl)-D-phenylalanine","2013-01-25"],["P4L","2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol","C12 H11 N3 O S","n1c(O)c3c(nc1c2ncccc2)CCSC3;Oc1nc(nc2CCSCc12)c3ccccn3;c1ccnc(c1)c2nc3c(c(n2)O)CSCC3","InChI=1S/C12H11N3OS/c16-12-8-7-17-6-4-9(8)14-11(15-12)10-3-1-2-5-13-10/h1-3,5H,4,6-7H2,(H,14,15,16)","","2010-04-14","2011-06-04","2-(pyridin-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol",""],["P4M","7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one","C13 H15 N O3","COc1cc2CC(=O)N(C)C=Cc2cc1OC;CN1C=Cc2cc(c(cc2CC1=O)OC)OC","InChI=1S/C13H15NO3/c1-14-5-4-9-6-11(16-2)12(17-3)7-10(9)8-13(14)15/h4-7H,8H2,1-3H3","7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one","2022-09-30","2022-11-25","7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one","2022-11-30"],["1G9","(3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione","C12 H14 N2 O3","O=C1NC(C(=O)NC1C)Cc2ccc(O)cc2;C[CH]1NC(=O)[CH](Cc2ccc(O)cc2)NC1=O;CC1C(=O)NC(C(=O)N1)Cc2ccc(cc2)O","InChI=1S/C12H14N2O3/c1-7-11(16)14-10(12(17)13-7)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6H2,1H3,(H,13,17)(H,14,16)/t7-,10-/m0/s1","","2013-01-22","2013-04-26","(3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione","2013-05-01"],["1GA","Geraniline","C16 H21 N","C2=C(CCC=C(CNc1ccc(cc1)C2)C)C;CC1=CCc2ccc(NCC(=CCC1)C)cc2;CC1=CCc2ccc(cc2)NCC(=CCC1)C","InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+","(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene","2012-01-31","2020-06-17","(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene",""],["P4N","6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one","C22 H20 F3 N5 O3 S","C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1;CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F","InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)","","2020-04-15","2021-02-05","6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one","2021-02-10"],["P4O","2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE","C21 H16 N4 O","O=C2c1cc(nc1CCN2)c5ccnc(c3cc4ccccc4nc3)c5;O=C1NCCc2[nH]c(cc12)c3ccnc(c3)c4cnc5ccccc5c4;c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O","InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)","","2006-12-09","2011-06-04","2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",""],["1GB","(3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione","C20 H19 N3 O3","O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3cnc4ccccc34;Oc1ccc(C[CH]2NC(=O)[CH](Cc3c[nH]c4ccccc34)NC2=O)cc1;c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)N3)Cc4ccc(cc4)O","InChI=1S/C20H19N3O3/c24-14-7-5-12(6-8-14)9-17-19(25)23-18(20(26)22-17)10-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,17-18,21,24H,9-10H2,(H,22,26)(H,23,25)/t17-,18-/m0/s1","","2013-01-22","2013-04-26","(3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione","2013-05-01"],["1GC","2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine","C11 H18 N5 O12 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/t5-,6+,7+/m0/s1","","2010-11-22","2011-06-04","2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine",""],["P4P","TETRAPHENYLPHOSPHONIUM","C24 H20 P","c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4","InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1","","1999-07-08","2011-06-04","tetraphenylphosphonium",""],["P4Q","pyrido[3,2-d]pyrimidin-4-amine","C7 H6 N4","Nc1ncnc2cccnc12;c1cc2c(c(ncn2)N)nc1","InChI=1S/C7H6N4/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H,(H2,8,10,11)","","2020-04-15","2021-04-23","pyrido[3,2-d]pyrimidin-4-amine","2021-04-28"],["1GD","2-phenyl-N-(4-sulfamoylbenzyl)acetamide","C15 H16 N2 O3 S","O=S(=O)(N)c1ccc(cc1)CNC(=O)Cc2ccccc2;N[S](=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1;c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N","InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)","","2013-01-24","2013-12-27","2-phenyl-N-(4-sulfamoylbenzyl)acetamide","2014-01-01"],["1GE","2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid","C31 H27 N3 O4","O=C(O)c1ccc(cc1)c2cc(O)c(OC)cc2C6Nc3ccc(C(=[N@H])N)cc3C5c4ccccc4CC56;COc1cc([CH]2Nc3ccc(cc3[CH]4[CH]2Cc5ccccc45)C(N)=N)c(cc1O)c6ccc(cc6)C(O)=O;COc1cc(c(cc1O)c2ccc(cc2)C(=O)O)C3C4Cc5ccccc5C4c6cc(ccc6N3)C(=N)N","InChI=1S/C31H27N3O4/c1-38-27-15-22(21(14-26(27)35)16-6-8-17(9-7-16)31(36)37)29-24-12-18-4-2-3-5-20(18)28(24)23-13-19(30(32)33)10-11-25(23)34-29/h2-11,13-15,24,28-29,34-35H,12H2,1H3,(H3,32,33)(H,36,37)/t24-,28-,29+/m1/s1","","2013-01-25","2013-03-15","2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid","2013-03-20"],["P4R","(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione","C20 H14 Cl N3 O3","Clc1ccc2OCCC3(NC(=O)N(C3=O)c3cncc4ccccc43)c2c1;Clc1ccc2OCC[C]3(NC(=O)N(C3=O)c4cncc5ccccc45)c2c1;c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O","InChI=1S/C20H14ClN3O3/c21-13-5-6-17-15(9-13)20(7-8-27-17)18(25)24(19(26)23-20)16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8H2,(H,23,26)/t20-/m0/s1","","2023-08-18","2023-11-03","(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione","2023-11-08"],["P4S","(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide","C24 H32 O5","C12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C=C3)CC5C46O5)C)O;C[C]12CC[CH](O)C[C]1(O)CC[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C6=COC(=O)C=C6;CC12CCC(CC1(CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O)O","InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1","","2019-07-30","2019-12-20","(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide","2019-12-25"],["1GF","(~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid","C35 H33 F O8","COc1c(CC=C(C)C)c2C(=O)c3c(Oc2cc1OCc4ccc(F)cc4)cc5OC(C)(C)C=Cc5c3OCC=CC(O)=O;CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OCC=CC(=O)O)C=CC(O5)(C)C)C","InChI=1S/C35H33FO8/c1-20(2)8-13-24-30-26(18-28(33(24)40-5)42-19-21-9-11-22(36)12-10-21)43-27-17-25-23(14-15-35(3,4)44-25)34(31(27)32(30)39)41-16-6-7-29(37)38/h6-12,14-15,17-18H,13,16,19H2,1-5H3,(H,37,38)/b7-6-","","2021-06-21","2021-10-15","(~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid","2021-10-20"],["P4T","2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE","C12 H12 N2 O S","O=C(c1sc(nc1C)Nc2ccccc2)C;CC(=O)c1sc(Nc2ccccc2)nc1C;Cc1c(sc(n1)Nc2ccccc2)C(=O)C","InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)","1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone","2007-09-06","2020-06-17","1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone",""],["1GG","(6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide","C24 H31 Cl N6 O2","O=C1C(=NC(Cl)=C3N1C(C(=O)NCc2ccc(C(=[N@H])N)cc2)CC3(CC)CC)NC4CCC4;CCC1(CC)C[CH](N2C(=O)C(=NC(=C12)Cl)NC3CCC3)C(=O)NCc4ccc(cc4)C(N)=N;CCC1(CC(N2C1=C(N=C(C2=O)NC3CCC3)Cl)C(=O)NCc4ccc(cc4)C(=N)N)CC","InChI=1S/C24H31ClN6O2/c1-3-24(4-2)12-17(22(32)28-13-14-8-10-15(11-9-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-6-5-7-16/h8-11,16-17H,3-7,12-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1","","2013-01-25","2013-02-22","(6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide","2013-02-22"],["P4U","4-propyl, uridine-5'-monophosphate","C12 H19 N2 O9 P","CCCOC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CCCOC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C12H19N2O9P/c1-2-5-21-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)6-22-24(18,19)20/h3-4,7,9-11,15-16H,2,5-6H2,1H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propoxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["1GH","7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE","C23 H21 N5 O3","O=C3Nc2cnc1cc(c(OC)cc1c2N3C(c4ncccc4)C)c5c(onc5C)C;COc1cc2c(cc1c3c(C)onc3C)ncc4NC(=O)N([CH](C)c5ccccn5)c24;Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4C(C)c5ccccn5","InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1","","2011-08-25","2014-09-05","7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one",""],["1GI","8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid","C26 H22 Cl N5 O2 S","O=C(O)c1nc2nc(c3cc4ccsc4cc3)n(Cc3ccc(Cl)cc3)c2c(NC(C)C2CC2)n1;C[CH](Nc1nc(nc2nc(n(Cc3ccc(Cl)cc3)c12)c4ccc5sccc5c4)C(O)=O)C6CC6;CC(C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O","InChI=1S/C26H22ClN5O2S/c1-14(16-4-5-16)28-22-21-23(30-24(29-22)26(33)34)31-25(18-6-9-20-17(12-18)10-11-35-20)32(21)13-15-2-7-19(27)8-3-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,33,34)(H,28,29,30)/t14-/m1/s1","","2021-06-22","2021-11-05","8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid","2021-11-10"],["P4V","rotundine","C21 H25 N O4","COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC;COc1cc2CCN3Cc4c(C[CH]3c2cc1OC)ccc(OC)c4OC;COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)OC)OC","InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1","","2022-05-24","2022-06-24","(7R,13aR)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline","2022-06-29"],["P4W","~{N},~{N}-dimethylisoquinoline-5-sulfonamide","C11 H12 N2 O2 S","CN(C)[S](=O)(=O)c1cccc2cnccc12;CN(C)S(=O)(=O)c1cccc2c1ccnc2","InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3","","2020-04-15","2021-04-23","~{N},~{N}-dimethylisoquinoline-5-sulfonamide","2021-04-28"],["1GJ","4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","C21 H15 F3 N2 O2","FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)Cc4ccccc4;Oc1ccc(c(O)c1)c2n(Cc3ccccc3)nc4c2cccc4C(F)(F)F;c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O","InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(17)25-26(12-13-5-2-1-3-6-13)20(16)15-10-9-14(27)11-18(15)28/h1-11,27-28H,12H2","","2013-01-25","2013-03-22","4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["P4X","(1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one","C18 H21 N3 O3","C[CH]1C(=O)N(C)C=C(c2cnn(C)c2)c3cc(ccc13)[CH](O)CO;CC1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)C(CO)O","InChI=1S/C18H21N3O3/c1-11-14-5-4-12(17(23)10-22)6-15(14)16(9-20(2)18(11)24)13-7-19-21(3)8-13/h4-9,11,17,22-23H,10H2,1-3H3/t11-,17+/m1/s1","","2022-09-30","2022-11-25","(1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one","2022-11-30"],["1GK","N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide","C18 H16 N2 O3","O=C(NCc1occc1)c3cc(C(=O)c2ccccc2C)cn3;Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3;Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3","InChI=1S/C18H16N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-10,19H,11H2,1H3,(H,20,22)","","2010-04-28","2011-06-04","N-(furan-2-ylmethyl)-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide",""],["P4Y","5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid","C20 H15 N3 O4","O=C(O)c1nc(nc(O)c1O)Cc3c2ccccc2nc3c4ccccc4;OC(=O)c1nc(Cc2c([nH]c3ccccc23)c4ccccc4)nc(O)c1O;c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O","InChI=1S/C20H15N3O4/c24-18-17(20(26)27)22-15(23-19(18)25)10-13-12-8-4-5-9-14(12)21-16(13)11-6-2-1-3-7-11/h1-9,21,24H,10H2,(H,26,27)(H,22,23,25)","","2011-02-08","2011-06-04","5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid",""],["1GL","2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose","C7 H14 O4","O(C1C(OC(O)CC1O)C)C;CO[CH]1[CH](C)O[CH](O)C[CH]1O;CC1C(C(CC(O1)O)O)OC","InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1","4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE; 2-deoxy-4-O-methyl-alpha-D-fucopyranose;\n2,6-dideoxy-4-O-methyl-alpha-D-galactose; 2,6-dideoxy-4-O-methyl-D-galactose; 2,6-dideoxy-4-O-methyl-galactose","1999-07-08","2020-07-17","2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose",""],["1GM","4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","C16 H13 F3 N2 O2","FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CC;CCn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O;CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O","InChI=1S/C16H13F3N2O2/c1-2-21-15(10-7-6-9(22)8-13(10)23)11-4-3-5-12(14(11)20-21)16(17,18)19/h3-8,22-23H,2H2,1H3","","2013-01-25","2013-03-22","4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["P4Z","(2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide","C25 H19 Cl F N5 O","CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(Cl)c4F)c1C#N)C(N)=O;CCC(C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl","InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1","","2020-04-15","2021-04-09","(2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide","2021-04-14"],["P50","(19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate","C40 H76 N O9 P","O=C(CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(N)C=O;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C=O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C=O)N)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C40H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(41)33-42)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,33,37-38H,3-16,19-32,34-36,41H2,1-2H3,(H,45,46)/b18-17-/t37-,38-/m0/s1","","2017-10-18","2017-10-27","(19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate","2017-11-01"],["1GN","2-amino-2-deoxy-beta-D-galactopyranose","C6 H13 N O5","OC1C(O)C(OC(O)C1N)CO;N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)O","InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1","beta-D-galactosamine; 2-amino-2-deoxy-beta-D-galactose; 2-amino-2-deoxy-D-galactose; 2-amino-2-deoxy-galactose;\n2-DEOXY-2-AMINOGALACTOSE","1999-07-08","2020-07-17","2-amino-2-deoxy-beta-D-galactopyranose",""],["1GO","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide","C8 H8 N4 O3 S3","O=S(=O)(c1nnc(s1)NC(=O)Cc2sccc2)N;N[S](=O)(=O)c1sc(NC(=O)Cc2sccc2)nn1;c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)","","2013-01-25","2013-12-06","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide","2013-12-11"],["P51","2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol","C25 H31 I N2 O2","Ic2c(O)c(cc(C#CCOc1ccccc1)c2)CN3CCC(N(CC)CC)CC3;CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCOc3ccccc3;CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3","InChI=1S/C25H31IN2O2/c1-3-28(4-2)22-12-14-27(15-13-22)19-21-17-20(18-24(26)25(21)29)9-8-16-30-23-10-6-5-7-11-23/h5-7,10-11,17-18,22,29H,3-4,12-16,19H2,1-2H3","","2012-01-30","2014-09-05","2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol",""],["P52","Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide","C27 H37 N4 O4 P","O=P(O)(C(N)CCc1ccccc1)CC(C(=O)NC(C(=O)N)Cc3c2ccccc2nc3)CC(C)C;CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(N)=O;CC(C)CC(CP(=O)(C(CCc1ccccc1)N)O)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)N","InChI=1S/C27H37N4O4P/c1-18(2)14-21(17-36(34,35)25(28)13-12-19-8-4-3-5-9-19)27(33)31-24(26(29)32)15-20-16-30-23-11-7-6-10-22(20)23/h3-11,16,18,21,24-25,30H,12-15,17,28H2,1-2H3,(H2,29,32)(H,31,33)(H,34,35)/t21-,24+,25-/m1/s1","","2013-03-06","2013-12-06","Nalpha-[(2S)-2-{[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide","2013-12-11"],["1GP","SN-GLYCEROL-1-PHOSPHATE","C3 H9 O6 P","O=P(O)(O)OCC(O)CO;OC[CH](O)CO[P](O)(O)=O;C(C(COP(=O)(O)O)O)O","InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1","","2005-12-27","2024-09-27","(2S)-2,3-dihydroxypropyl dihydrogen phosphate",""],["P53","2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside","C13 H19 O10 P","O=P(O)(O)OCC2OC(Oc1c(cccc1)CO)C(O)C(O)C2O;OCc1ccccc1O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O;c1ccc(c(c1)CO)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O","InChI=1S/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/t9-,10-,11+,12-,13-/m1/s1","Salicin-6-phosphate; 2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucoside; 2-(hydroxymethyl)phenyl\n6-O-phosphono-D-glucoside; 2-(hydroxymethyl)phenyl 6-O-phosphono-glucoside","2012-06-01","2020-07-17","2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside",""],["1GQ","4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","C18 H17 F3 N2 O2","FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CCCC;CCCCn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F;CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O","InChI=1S/C18H17F3N2O2/c1-2-3-9-23-17-13(5-4-6-14(17)18(19,20)21)16(22-23)12-8-7-11(24)10-15(12)25/h4-8,10,24-25H,2-3,9H2,1H3","","2013-01-26","2013-03-22","4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["1GR","4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","C18 H17 F3 N2 O2","FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC(C)C;CC(C)Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F;CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O","InChI=1S/C18H17F3N2O2/c1-10(2)9-23-17-13(4-3-5-14(17)18(19,20)21)16(22-23)12-7-6-11(24)8-15(12)25/h3-8,10,24-25H,9H2,1-2H3","","2013-01-26","2013-03-22","4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["P54","8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine","C18 H19 N5 S","N1=C3C(N=C1Sc2ccc(cc2C)C)=C(N=CN3CCCC#C)N;Cc1ccc(Sc2nc3n(CCCC#C)cnc(N)c3n2)c(C)c1;Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N","InChI=1S/C18H19N5S/c1-4-5-6-9-23-11-20-16(19)15-17(23)22-18(21-15)24-14-8-7-12(2)10-13(14)3/h1,7-8,10-11H,5-6,9,19H2,2-3H3","","2010-07-22","2011-09-30","8-[(2,4-dimethylphenyl)sulfanyl]-3-(pent-4-yn-1-yl)-3H-purin-6-amine",""],["P55","2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","C18 H20 N8","N#Cc1cnn2c(nc(nc12)N3CCN(CC)CC3)Nc4ccccc4;CCN1CCN(CC1)c2nc(Nc3ccccc3)n4ncc(C#N)c4n2;CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N","InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)","","2007-05-11","2011-06-04","2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile",""],["1GS","4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","C18 H17 F3 N2 O2","FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CC(C)C;CC(C)Cn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O;CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O","InChI=1S/C18H17F3N2O2/c1-10(2)9-23-17(12-7-6-11(24)8-15(12)25)13-4-3-5-14(16(13)22-23)18(19,20)21/h3-8,10,24-25H,9H2,1-2H3","","2013-01-26","2013-03-22","4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["P57","3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole","C18 H15 N3","c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4;C(n1ccnc1)c2c([nH]c3ccccc23)c4ccccc4;c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4","InChI=1S/C18H15N3/c1-2-6-14(7-3-1)18-16(12-21-11-10-19-13-21)15-8-4-5-9-17(15)20-18/h1-11,13,20H,12H2","","2019-07-31","2019-12-20","3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole","2019-12-25"],["1GT","4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","C18 H15 F3 N2 O2","FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CCC=C;Oc1ccc(c(O)c1)c2nn(CCC=C)c3c2cccc3C(F)(F)F;C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O","InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17-13(5-4-6-14(17)18(19,20)21)16(22-23)12-8-7-11(24)10-15(12)25/h2,4-8,10,24-25H,1,3,9H2","","2013-01-28","2013-03-22","4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["1GU","4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","C18 H15 F3 N2 O2","FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CCC=C;Oc1ccc(c(O)c1)c2n(CCC=C)nc3c2cccc3C(F)(F)F;C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O","InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17(12-8-7-11(24)10-15(12)25)13-5-4-6-14(16(13)22-23)18(19,20)21/h2,4-8,10,24-25H,1,3,9H2","","2013-01-28","2013-03-22","4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol","2013-03-27"],["P58","benzyl(methyl)carbamodithioic acid","C9 H11 N S2","S=C(S)N(C)Cc1ccccc1;CN(Cc1ccccc1)C(S)=S;CN(Cc1ccccc1)C(=S)S","InChI=1S/C9H11NS2/c1-10(9(11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)","","2010-10-11","2011-10-14","benzyl(methyl)carbamodithioic acid",""],["P59","(2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one","C20 H15 F N2 O","Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4;c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F","InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m1/s1","","2017-02-27","2017-09-29","(2~{R})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one","2017-10-04"],["1GV","4,4'-thiene-2,5-diylbis(3-methylphenol)","C18 H16 O2 S","Oc3ccc(c2sc(c1c(cc(O)cc1)C)cc2)c(c3)C;Cc1cc(O)ccc1c2sc(cc2)c3ccc(O)cc3C;Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O","InChI=1S/C18H16O2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3","","2013-01-28","2013-03-22","4,4'-thiene-2,5-diylbis(3-methylphenol)","2013-03-27"],["1GW","5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DIPHOSPHATE-ALPHA-D-GALACTOSE","C20 H26 N2 O18 P2 S","O=Cc4sc(C=1C(=O)NC(=O)N(C=1)C3OC(COP(=O)(O)OP(=O)(OC2OC(CO)C(O)C(O)C2O)O)C(O)C3O)cc4;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=C(C(=O)NC3=O)c4sc(C=O)cc4)[CH](O)[CH](O)[CH]1O;c1cc(sc1C=O)C2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C20H26N2O18P2S/c23-4-7-1-2-11(43-7)8-3-22(20(31)21-17(8)30)18-15(28)13(26)10(37-18)6-36-41(32,33)40-42(34,35)39-19-16(29)14(27)12(25)9(5-24)38-19/h1-4,9-10,12-16,18-19,24-29H,5-6H2,(H,32,33)(H,34,35)(H,21,30,31)/t9-,10-,12+,13-,14+,15-,16-,18-,19-/m1/s1","","2009-08-17","2011-06-04","{(2R,3S,4R,5R)-5-[5-(5-formylthiophen-2-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["P5A","'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE","C15 H21 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)[CH]4CCCN4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C4CCCN4)O)O)N","InChI=1S/C15H21N7O7S/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t7-,8+,10+,11+,15+/m0/s1","","2003-01-07","2011-06-04","5'-O-(L-prolylsulfamoyl)adenosine",""],["P5B","N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE","C26 H33 N7 O5 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N;CC[S](=O)(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CCC(N)=O)C(=O)NCc3ccc(cc3)C(N)=N;CCS(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1","2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)","2004-12-15","2021-03-01","N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide",""],["1GZ","methylthioacryloyl-CoA","C25 H40 N7 O17 P3 S2","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=CSC;CSC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CSC)O","InChI=1S/C25H40N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h5,8,12-14,18-20,24,35-36H,4,6-7,9-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b8-5+/t14-,18-,19-,20+,24-/m1/s1","","2013-02-01","2014-09-05","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(methylsulfanyl)prop-2-enethioate (non-preferred name)","2013-06-05"],["1H1","ethyl (3R)-4-cyano-3-hydroxybutanoate","C7 H11 N O3","O=C(OCC)CC(O)CC#N;CCOC(=O)C[CH](O)CC#N;CCOC(=O)CC(CC#N)O","InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1","","2013-02-01","2013-02-15","ethyl (3R)-4-cyano-3-hydroxybutanoate","2013-02-15"],["P5C","2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide","C18 H24 N6 O","O=C(c1cnc(nc1Nc2cc(ccc2)C)NC3C(N)CCCC3)N;Cc1cccc(Nc2nc(N[CH]3CCCC[CH]3N)ncc2C(N)=O)c1;Cc1cccc(c1)Nc2c(cnc(n2)NC3CCCCC3N)C(=O)N","InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1","","2009-01-09","2011-06-04","2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide",""],["P5D","(2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid","C13 H18 N O6 P","O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O;c1ccc(cc1)CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O","InChI=1S/C13H18NO6P/c14-11(6-9-4-2-1-3-5-9)21(19,20)8-10(13(17)18)7-12(15)16/h1-5,10-11H,6-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1","L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE","2011-05-18","2021-03-01","(2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid",""],["A1B4R","(3S)-1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide","C16 H20 N2 O2 S","NC(=O)C1CCCN(C1)C(=O)C1CCSc2ccccc21;NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCSc3ccccc23;c1ccc2c(c1)C(CCS2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C16H20N2O2S/c17-15(19)11-4-3-8-18(10-11)16(20)13-7-9-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,13H,3-4,7-10H2,(H2,17,19)/t11-,13-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide","2025-04-02"],["P5E","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate","C9 H15 N2 O14 P3 S","O[CH]1[CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O","InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-28(21,29)25-27(19,20)24-26(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-,28+/m1/s1","","2020-04-15","2020-12-04","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate","2020-12-09"],["A1B4U","(3S)-N~1~-[2-(cyclopropylsulfanyl)phenyl]piperidine-1,3-dicarboxamide","C16 H21 N3 O2 S","O=C(Nc1ccccc1SC1CC1)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Nc2ccccc2SC3CC3;c1ccc(c(c1)NC(=O)N2CCCC(C2)C(=O)N)SC3CC3","InChI=1S/C16H21N3O2S/c17-15(20)11-4-3-9-19(10-11)16(21)18-13-5-1-2-6-14(13)22-12-7-8-12/h1-2,5-6,11-12H,3-4,7-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1","","2025-03-24","2025-03-28","(3S)-N~1~-[2-(cyclopropylsulfanyl)phenyl]piperidine-1,3-dicarboxamide","2025-04-02"],["P5F","N-propargylglycine-modified flavin adenine dinucleotide","C32 H40 N10 O17 P2","Cc1cc2c(cc1C)n(C=CC=NCC(O)=O)c3C(=O)NC(=O)Nc3n2C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O","InChI=1S/C32H40N10O17P2/c1-14-6-16-17(7-15(14)2)41(29-23(30(50)39-32(51)38-29)40(16)5-3-4-34-8-21(45)46)9-18(43)24(47)19(44)10-56-60(52,53)59-61(54,55)57-11-20-25(48)26(49)31(58-20)42-13-37-22-27(33)35-12-36-28(22)42/h3-7,12-13,18-20,24-26,31,43-44,47-49H,8-11H2,1-2H3,(H,45,46)(H,52,53)(H,54,55)(H2,33,35,36)(H2,38,39,50,51)/b5-3+,34-4?/t18-,19+,20+,24-,25+,26+,31+/m0/s1","","2013-11-25","2024-09-27","2-[3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-5-yl]prop-2-enylideneamino]ethanoic acid","2014-02-19"],["A1B4V","(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide","C17 H22 N2 O4","O=C(Cc1ccccc1OC)N1CC2(CC1(C2)COC)C(N)=O;COCC12CC(CN1C(=O)Cc3ccccc3OC)(C2)C(N)=O;COCC12CC(C1)(CN2C(=O)Cc3ccccc3OC)C(=O)N","InChI=1S/C17H22N2O4/c1-22-11-17-8-16(9-17,15(18)21)10-19(17)14(20)7-12-5-3-4-6-13(12)23-2/h3-6H,7-11H2,1-2H3,(H2,18,21)/t16-,17-","","2025-03-24","2025-03-28","(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide","2025-04-02"],["A1B4Y","(3S)-N~1~-[6-(methylsulfanyl)quinolin-5-yl]piperidine-1,3-dicarboxamide","C17 H20 N4 O2 S","O=C(Nc1c2cccnc2ccc1SC)N1CCCC(C1)C(N)=O;CSc1ccc2ncccc2c1NC(=O)N3CCC[CH](C3)C(N)=O;CSc1ccc2c(c1NC(=O)N3CCCC(C3)C(=O)N)cccn2","InChI=1S/C17H20N4O2S/c1-24-14-7-6-13-12(5-2-8-19-13)15(14)20-17(23)21-9-3-4-11(10-21)16(18)22/h2,5-8,11H,3-4,9-10H2,1H3,(H2,18,22)(H,20,23)/t11-/m0/s1","","2025-03-24","2025-03-28","(3S)-N~1~-[6-(methylsulfanyl)quinolin-5-yl]piperidine-1,3-dicarboxamide","2025-04-02"],["P5G","4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)","C20 H24 O5","c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC;COc1cc(C[CH]2COC[CH]2Cc3ccc(O)c(OC)c3)ccc1O;COc1cc(ccc1O)CC2COCC2Cc3ccc(c(c3)OC)O","InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1","","2019-07-31","2019-12-20","4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)","2019-12-25"],["P5H","6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide","C10 H15 N3 O4 S","CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)=O;CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C","InChI=1S/C10H15N3O4S/c1-7-3-4-8(10(15)13-7)9(14)11-5-6-12-18(2,16)17/h3-4,8,12H,5-6H2,1-2H3,(H,11,14)/t8-/m0/s1","","2020-04-15","2020-07-10","6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide","2020-07-15"],["A1B4Z","(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide","C12 H15 Cl N4 O2","O=C(Cc1ncncc1Cl)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Cc2ncncc2Cl;c1c(c(ncn1)CC(=O)N2CCCC(C2)C(=O)N)Cl","InChI=1S/C12H15ClN4O2/c13-9-5-15-7-16-10(9)4-11(18)17-3-1-2-8(6-17)12(14)19/h5,7-8H,1-4,6H2,(H2,14,19)/t8-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide","2025-04-02"],["A1B5A","(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide","C13 H18 N4 O2 S","O=C(Cc1cncnc1SC)N1CCCC(C1)C(N)=O;CSc1ncncc1CC(=O)N2CCC[CH](C2)C(N)=O;CSc1c(cncn1)CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C13H18N4O2S/c1-20-13-10(6-15-8-16-13)5-11(18)17-4-2-3-9(7-17)12(14)19/h6,8-9H,2-5,7H2,1H3,(H2,14,19)/t9-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide","2025-04-02"],["P5I","2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","C17 H12 Cl N3 O5","OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2cc(on2)c3cc(c(nc3)C(=O)NCC(=O)O)O","InChI=1S/C17H12ClN3O5/c18-11-3-1-2-9(4-11)12-6-14(26-21-12)10-5-13(22)16(19-7-10)17(25)20-8-15(23)24/h1-7,22H,8H2,(H,20,25)(H,23,24)","(5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine","2023-02-28","2024-02-23","2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid","2024-02-28"],["P5J","(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one","C27 H22 N6 O","c1(nc2c(cnn2cc1)c3ccc4NC(C(C)(c4c3)Cc5ccccc5)=O)c6cnc(nc6)C;Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[C](C)(Cc6ccccc6)c5c4)c3n2;Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)C(C(=O)N5)(C)Cc6ccccc6","InChI=1S/C27H22N6O/c1-17-28-14-20(15-29-17)23-10-11-33-25(31-23)21(16-30-33)19-8-9-24-22(12-19)27(2,26(34)32-24)13-18-6-4-3-5-7-18/h3-12,14-16H,13H2,1-2H3,(H,32,34)/t27-/m0/s1","","2019-07-31","2019-08-23","(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one","2019-08-28"],["A1B5B","(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide","C16 H21 N3 O3 S","O=C(Cc1ccccc1SC)N1CC(CC(C1)C(N)=O)C(N)=O;CSc1ccccc1CC(=O)N2C[CH](C[CH](C2)C(N)=O)C(N)=O;CSc1ccccc1CC(=O)N2CC(CC(C2)C(=O)N)C(=O)N","InChI=1S/C16H21N3O3S/c1-23-13-5-3-2-4-10(13)7-14(20)19-8-11(15(17)21)6-12(9-19)16(18)22/h2-5,11-12H,6-9H2,1H3,(H2,17,21)(H2,18,22)/t11-,12+","","2025-03-24","2025-03-28","(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide","2025-04-02"],["A1B5E","(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide","C16 H18 N4 O2","NC(=O)C1CC(=O)N(C1)C(c1nccn1C)c1ccccc1;Cn1ccnc1[CH](N2C[CH](CC2=O)C(N)=O)c3ccccc3;Cn1ccnc1C(c2ccccc2)N3CC(CC3=O)C(=O)N","InChI=1S/C16H18N4O2/c1-19-8-7-18-16(19)14(11-5-3-2-4-6-11)20-10-12(15(17)22)9-13(20)21/h2-8,12,14H,9-10H2,1H3,(H2,17,22)/t12-,14-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide","2025-04-02"],["P5K","1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea","C24 H27 N3 O4 S2","O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)Nc4c3ccccc3ccc4;CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1)C(=O)N4CC[S](=O)(=O)CC4;CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4","InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)","","2010-10-12","2011-10-28","1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea",""],["P5L","(1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid","C37 H60 N4 O14","O=C1C=CN(C(=O)N1)C1OC(C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCCCCC)C2C(=O)O)C(O)C3O)C(O)C1O;CCCCCCCCCCCCCCCC(=O)O[CH]1[CH](O)C[N]2C[CH]1NC[CH]3O[CH](O[CH]([CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH]2C(O)=O)[CH](O)[CH]3O;CCCCCCCCCCCCCCCC(=O)OC1C2CN(CC1O)C(C(OC3C(C(C(O3)CN2)O)O)C4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)C(=O)O","InChI=1S/C37H60N4O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(44)53-31-21-19-40(20-22(31)42)26(35(49)50)32(55-36-30(48)27(45)23(52-36)18-38-21)33-28(46)29(47)34(54-33)41-17-16-24(43)39-37(41)51/h16-17,21-23,26-34,36,38,42,45-48H,2-15,18-20H2,1H3,(H,49,50)(H,39,43,51)/t21-,22-,23+,26-,27+,28-,29+,30+,31+,32-,33-,34+,36-/m0/s1","sphaerimicin analogue","2022-05-25","2023-03-24","(1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid","2023-03-29"],["A1B5F","(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide","C16 H22 N2 O2 S","CC1CC(CN(C1)C(=O)Cc1ccccc1SC)C(N)=O;CSc1ccccc1CC(=O)N2C[CH](C)C[CH](C2)C(N)=O;CC1CC(CN(C1)C(=O)Cc2ccccc2SC)C(=O)N","InChI=1S/C16H22N2O2S/c1-11-7-13(16(17)20)10-18(9-11)15(19)8-12-5-3-4-6-14(12)21-2/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)/t11-,13+/m1/s1","","2025-03-24","2025-03-28","(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide","2025-04-02"],["A1B5Q","(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide","C15 H17 N3 O2 S","NC(=O)C1CCCN(C1)C(=O)Cc1cccc2ncsc12;NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3ncsc23;c1cc(c2c(c1)ncs2)CC(=O)N3CCCC(C3)C(=O)N","InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide","2025-04-02"],["P5M","2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium","C16 H13 O7","Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)c2cc3O;COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O;COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O","InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1","Petunidin","2014-10-15","2020-06-17","2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium","2015-01-21"],["P5N","1-(4-methylphenyl)imidazole","C10 H8 N2 O","O=Cc1ccc(cc1)n2ccnc2;c1cc(ccc1C=O)n2ccnc2","InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H","","2020-04-15","2024-09-27","4-imidazol-1-ylbenzaldehyde","2020-09-23"],["A1B5R","(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide","C12 H15 Cl N4 O2","O=C(Cc1ccnc(Cl)n1)N1CCCC(C1)C(N)=O;NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccnc(Cl)n2;c1cnc(nc1CC(=O)N2CCCC(C2)C(=O)N)Cl","InChI=1S/C12H15ClN4O2/c13-12-15-4-3-9(16-12)6-10(18)17-5-1-2-8(7-17)11(14)19/h3-4,8H,1-2,5-7H2,(H2,14,19)/t8-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide","2025-04-02"],["P5O","5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol","C15 H14 O4","COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2;COc1cc(ccc1O)C=Cc2cc(cc(c2)O)O","InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+","","2023-03-03","2023-05-19","5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol","2023-05-24"],["P5P","PURINE RIBOSIDE-5'-MONOPHOSPHATE","C10 H13 N4 O7 P","O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23;c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1","","1999-07-08","2024-09-27","9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine",""],["A1B5V","(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide","C16 H21 Br N2 O2 S","O=C(Cc1cc(Br)ccc1SC)N1CCCC(CC1)C(N)=O;CSc1ccc(Br)cc1CC(=O)N2CCC[CH](CC2)C(N)=O;CSc1ccc(cc1CC(=O)N2CCCC(CC2)C(=O)N)Br","InChI=1S/C16H21BrN2O2S/c1-22-14-5-4-13(17)9-12(14)10-15(20)19-7-2-3-11(6-8-19)16(18)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,21)/t11-/m0/s1","","2025-03-24","2025-03-28","(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide","2025-04-02"],["P5Q","1-(4-methylphenyl)-1,2,4-triazole","C9 H9 N3","Cc1ccc(cc1)n2cncn2;Cc1ccc(cc1)n2cncn2","InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h2-7H,1H3","","2020-04-15","2024-09-27","1-(4-methylphenyl)-1,2,4-triazole","2020-09-23"],["A1B5Y","(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide","C16 H20 N2 O2 S","O=C(Cc1ccccc1SC)N1CC(CC2CC21)C(N)=O;CSc1ccccc1CC(=O)N2C[CH](C[CH]3C[CH]23)C(N)=O;CSc1ccccc1CC(=O)N2CC(CC3C2C3)C(=O)N","InChI=1S/C16H20N2O2S/c1-21-14-5-3-2-4-10(14)8-15(19)18-9-12(16(17)20)6-11-7-13(11)18/h2-5,11-13H,6-9H2,1H3,(H2,17,20)/t11?,12-,13+/m0/s1","","2025-03-24","2025-03-28","(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide","2025-04-02"],["P5R","2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol","C34 H70 O18","OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2","","2023-08-22","2024-06-28","2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol","2024-07-03"],["A1B5Z","(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide","C13 H18 N2 O2 S2","CSc1cscc1CC(=O)N1CCCC(C1)C(N)=O;CSc1cscc1CC(=O)N2CCC[CH](C2)C(N)=O;CSc1cscc1CC(=O)N2CCCC(C2)C(=O)N","InChI=1S/C13H18N2O2S2/c1-18-11-8-19-7-10(11)5-12(16)15-4-2-3-9(6-15)13(14)17/h7-9H,2-6H2,1H3,(H2,14,17)/t9-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide","2025-04-02"],["P5S","O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine","C42 H82 N O10 P","O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1","phosphatidyl serine","2012-07-19","2021-03-01","O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine","2013-06-26"],["A1B6A","2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide","C16 H20 N2 O2 S","O=C(Cc1ccccc1SC)N1CC2CC1(CC(N)=O)C2;CSc1ccccc1CC(=O)N2CC3CC2(C3)CC(N)=O;CSc1ccccc1CC(=O)N2CC3CC2(C3)CC(=O)N","InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-12(13)6-15(20)18-10-11-7-16(18,8-11)9-14(17)19/h2-5,11H,6-10H2,1H3,(H2,17,19)/t11-,16+","","2025-03-24","2025-03-28","2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide","2025-04-02"],["P5T","Meta-Nidocarborane propyl-sulfonamide","C5 H8 B9 N O2 S","N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15;B123B45B167B289B612B744B116B282C93B21C465CCCS(=O)(=O)N","InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-6-4-7-8(5)12(5)11(5,6)9(4,6)10(4,7)13(7,8,12)14(9,10,11)12/h1-3H2,(H2,15,16,17)","","2020-04-15","2020-08-14","","2020-08-19"],["A1B6B","(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide","C16 H20 N2 O2","O=C(Cc1ccccc1C)N1CC2CC(C2)(C1)C(N)=O;Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(N)=O;Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(=O)N","InChI=1S/C16H20N2O2/c1-11-4-2-3-5-13(11)6-14(19)18-9-12-7-16(8-12,10-18)15(17)20/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+","","2025-03-24","2025-03-28","(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide","2025-04-02"],["P5U","O-[(4-cyanophenyl)sulfonyl]-L-serine","C10 H10 N2 O5 S","NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O;N[CH](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O;c1cc(ccc1C#N)S(=O)(=O)OCC(C(=O)O)N","InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1","","2018-06-28","2024-09-27","O-[(4-cyanophenyl)sulfonyl]-L-serine","2019-07-03"],["A1B6C","(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide","C17 H23 N3 O3 S","NC(=O)C1CCCN(C1)C(=O)N1CCCOc2cccc(SC)c12;CSc1cccc2OCCCN(C(=O)N3CCC[CH](C3)C(N)=O)c12;CSc1cccc2c1N(CCCO2)C(=O)N3CCCC(C3)C(=O)N","InChI=1S/C17H23N3O3S/c1-24-14-7-2-6-13-15(14)20(9-4-10-23-13)17(22)19-8-3-5-12(11-19)16(18)21/h2,6-7,12H,3-5,8-11H2,1H3,(H2,18,21)/t12-/m0/s1","","2025-03-24","2025-03-28","(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide","2025-04-02"],["P5V","(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one","C23 H20 N4 O2","C2(=O)Nc1ccc(cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6;O=C1Nc2ccc(cc2[C]13CCCN3C(=O)C4CC4)c5ccc6nccnc6c5;c1cc2c(cc1c3ccc4c(c3)C5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2","InChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1","","2019-07-31","2019-08-23","(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one","2019-08-28"],["A1B6D","(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide","C16 H21 Br N2 O2 S","O=C(Cc1cc(Br)ccc1SC)N1CC(CCC1C)C(N)=O;CSc1ccc(Br)cc1CC(=O)N2C[CH](CC[CH]2C)C(N)=O;CC1CCC(CN1C(=O)Cc2cc(ccc2SC)Br)C(=O)N","InChI=1S/C16H21BrN2O2S/c1-10-3-4-11(16(18)21)9-19(10)15(20)8-12-7-13(17)5-6-14(12)22-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,21)/t10-,11+/m1/s1","","2025-03-24","2025-03-28","(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide","2025-04-02"],["A1B6Y","2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide","C22 H23 F3 N4 O","Cc1cc2cc(ccc2nc1N)C(=O)N(CC(C)C)Cc1ccc(cn1)C(F)(F)F;CC(C)CN(Cc1ccc(cn1)C(F)(F)F)C(=O)c2ccc3nc(N)c(C)cc3c2;Cc1cc2cc(ccc2nc1N)C(=O)N(Cc3ccc(cn3)C(F)(F)F)CC(C)C","InChI=1S/C22H23F3N4O/c1-13(2)11-29(12-18-6-5-17(10-27-18)22(23,24)25)21(30)15-4-7-19-16(9-15)8-14(3)20(26)28-19/h4-10,13H,11-12H2,1-3H3,(H2,26,28)","","2025-03-25","2025-05-02","2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide","2025-05-07"],["P5W","4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid","C16 H12 N2 O2 S","OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1;c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O","InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)","","2020-04-16","2020-07-10","4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid","2020-07-15"],["P5X","N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide","C24 H22 Cl N3 O S","Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2)N(C)C)sc1;CN(C)c1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4ccccc34;CN(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4","InChI=1S/C24H22ClN3OS/c1-27(2)20-7-9-21(10-8-20)28(15-22-12-19(25)16-30-22)24(29)11-18-14-26-13-17-5-3-4-6-23(17)18/h3-10,12-14,16H,11,15H2,1-2H3","","2022-05-25","2023-08-25","N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide","2023-08-30"],["A1B6Z","dimethyl D-glutamate","C7 H13 N O4","NC(CCC(=O)OC)C(=O)OC;COC(=O)CC[CH](N)C(=O)OC;COC(=O)CCC(C(=O)OC)N","InChI=1S/C7H13NO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4,8H2,1-2H3/t5-/m1/s1","","2025-03-25","2026-04-10","dimethyl D-glutamate","2026-04-15"],["P5Y","N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide","C25 H21 F3 N6 O3","c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4;ONC(=O)c1ccc(CN(Cc2nnnn2Cc3ccccc3)C(=O)c4ccccc4C(F)(F)F)cc1;c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F","InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)","","2019-07-31","2020-07-24","N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide","2020-07-29"],["A1B7A","(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benzothiazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C30 H37 F3 I N5 O5 S","FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(I)ccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5ccc(I)cc5n4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5cc(ccc5s4)I)O)C","InChI=1S/C30H37F3IN5O5S/c1-28(2,3)22(38-27(44)30(31,32)33)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(34)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15+,17-,19+,20+,21+,22-/m1/s1","TKB-280-5I","2025-03-28","2025-05-30","(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benzothiazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2025-06-04"],["P5Z","6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid","C17 H11 Cl2 N O3","Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O;Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O;Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O","InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22)","","2023-05-05","2023-06-09","6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid","2023-06-14"],["P60","5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid","C10 H6 F N O3","c1cc(c(cc1)F)c2c(C(O)=O)nco2;OC(=O)c1ncoc1c2ccccc2F;c1ccc(c(c1)c2c(nco2)C(=O)O)F","InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)","","2016-03-17","2017-03-24","5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid","2017-03-29"],["A1B7E","N-(cyclohexylmethyl)-2-[(5-{[(1R)-1-phenylpropyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide","C20 H28 N4 O S2","O=C(CSc1nnc(NC(CC)c2ccccc2)s1)NCC1CCCCC1;CC[CH](Nc1sc(SCC(=O)NCC2CCCCC2)nn1)c3ccccc3;CCC(c1ccccc1)Nc2nnc(s2)SCC(=O)NCC3CCCCC3","InChI=1S/C20H28N4OS2/c1-2-17(16-11-7-4-8-12-16)22-19-23-24-20(27-19)26-14-18(25)21-13-15-9-5-3-6-10-15/h4,7-8,11-12,15,17H,2-3,5-6,9-10,13-14H2,1H3,(H,21,25)(H,22,23)/t17-/m1/s1","","2025-03-31","2025-10-24","N-(cyclohexylmethyl)-2-[(5-{[(1R)-1-phenylpropyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide","2025-10-29"],["P61","(2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid","C17 H18 F N2 O8 P","Fc1c(O)ccc(c1)CC(=N/C=C2C(O)=C(NC=C2COP(=O)(O)O)C)C(=O)O;CC1=C(O)C(=CN=C(Cc2ccc(O)c(F)c2)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(Cc2ccc(c(c2)F)O)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C17H18FN2O8P/c1-9-16(22)12(11(6-19-9)8-28-29(25,26)27)7-20-14(17(23)24)5-10-2-3-15(21)13(18)4-10/h2-4,6-7,19,21-22H,5,8H2,1H3,(H,23,24)(H2,25,26,27)/b12-7-,20-14+","","2011-03-17","2011-09-09","(2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid",""],["P62","5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione","C16 H21 Cl N4 O S","CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)O;CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl","InChI=1S/C16H21ClN4OS/c1-21(2)8-7-18-10-14-13(15(22)20-16(23)19-14)9-11-3-5-12(17)6-4-11/h3-6,18H,7-10H2,1-2H3,(H2,19,20,22,23)","","2020-12-02","2021-11-05","5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione","2021-11-10"],["A1B7Q","(2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one","C37 H33 F4 N7 O3 S","FC(Cc1nccs1)C(=O)N1CCN(CC1)c1nc(OCC23CCCN3CC(F)C2)nc2c1cnc(c1cc(O)cc3ccc(F)c(C#C)c31)c2F;Oc1cc2ccc(F)c(C#C)c2c(c1)c3ncc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7CCN(CC7)C(=O)[CH](F)Cc8sccn8;C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CC(C6)F)N7CCN(CC7)C(=O)C(Cc8nccs8)F)F)F","InChI=1S/C37H33F4N7O3S/c1-2-24-27(39)5-4-21-14-23(49)15-25(30(21)24)32-31(41)33-26(18-43-32)34(45-36(44-33)51-20-37-6-3-8-48(37)19-22(38)17-37)46-9-11-47(12-10-46)35(50)28(40)16-29-42-7-13-52-29/h1,4-5,7,13-15,18,22,28,49H,3,6,8-12,16-17,19-20H2/t22-,28+,37+/m1/s1","(2R)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one adduct","2025-04-02","2025-10-31","(2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one","2025-11-05"],["P63","N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE","C20 H16 N8 O","O=C(Nc1cc(ccc1)Nc3nc2c(C#N)cnn2c(n3)Nc4ccccc4)C;CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n4ncc(C#N)c4n2)c1;CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N","InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)","","2007-05-11","2011-06-04","N-(3-{[8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}phenyl)acetamide",""],["A1B7U","5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)-3-(methylamino)pyridine-2-carboxylic acid","C22 H17 Cl2 F2 N3 O3","OC(=O)c1ncc(cc1NC)CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(F)cc(F)c1;CNc1cc(CN(Cc2cccc(Cl)c2Cl)C(=O)c3cc(F)cc(F)c3)cnc1C(O)=O;CNc1cc(cnc1C(=O)O)CN(Cc2cccc(c2Cl)Cl)C(=O)c3cc(cc(c3)F)F","InChI=1S/C22H17Cl2F2N3O3/c1-27-18-5-12(9-28-20(18)22(31)32)10-29(11-13-3-2-4-17(23)19(13)24)21(30)14-6-15(25)8-16(26)7-14/h2-9,27H,10-11H2,1H3,(H,31,32)","","2025-04-04","2025-05-16","5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)-3-(methylamino)pyridine-2-carboxylic acid","2025-05-21"],["P64","7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine","C20 H24 N4","CN(c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C;CN(C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1;CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N","InChI=1S/C20H24N4/c1-24(2)18-8-4-15(5-9-18)11-12-22-14-16-3-6-17-7-10-20(21)23-19(17)13-16/h3-10,13,22H,11-12,14H2,1-2H3,(H2,21,23)","","2017-05-24","2017-08-11","7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine","2017-08-16"],["P65","2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine","C14 H15 Cl3 N4 O2","Cc1nc(N)nc(N)c1OCCCOc2cc(Cl)c(Cl)cc2Cl;Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl","InChI=1S/C14H15Cl3N4O2/c1-7-12(13(18)21-14(19)20-7)23-4-2-3-22-11-6-9(16)8(15)5-10(11)17/h5-6H,2-4H2,1H3,(H4,18,19,20,21)","","2012-03-02","2012-11-09","6-methyl-5-[3-[2,4,5-tris(chloranyl)phenoxy]propoxy]pyrimidine-2,4-diamine","2012-11-09"],["A1B7V","5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid","C21 H14 Cl2 F2 N2 O3","OC(=O)c1ccc(CN(Cc2cccc(Cl)c2Cl)C(=O)c2cc(F)cc(F)c2)cn1;OC(=O)c1ccc(CN(Cc2cccc(Cl)c2Cl)C(=O)c3cc(F)cc(F)c3)cn1;c1cc(c(c(c1)Cl)Cl)CN(Cc2ccc(nc2)C(=O)O)C(=O)c3cc(cc(c3)F)F","InChI=1S/C21H14Cl2F2N2O3/c22-17-3-1-2-13(19(17)23)11-27(10-12-4-5-18(21(29)30)26-9-12)20(28)14-6-15(24)8-16(25)7-14/h1-9H,10-11H2,(H,29,30)","","2025-04-04","2025-05-16","5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid","2025-05-21"],["P66","4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide","C21 H15 Cl F2 N6 O","O=C(NC1CC1)c2cc(c(Cl)cc2)Nc3nncc4c3cnn4c5c(F)cccc5F;Fc1cccc(F)c1n2ncc3c(Nc4cc(ccc4Cl)C(=O)NC5CC5)nncc23;c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F","InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)","","2009-09-01","2011-06-04","4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide",""],["P68","1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea","C18 H20 Br N3 O2","Brc2ccc(NC(=O)NC(c1cccc(C(=NO)C)c1)(C)C)cc2;CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2;CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br","InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+","","2013-09-30","2013-12-27","1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea","2014-01-01"],["P69","(2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one","C20 H15 F N2 O","Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4;c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F","InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m0/s1","","2017-02-27","2017-09-29","(2~{S})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one","2017-10-04"],["A1B8B","6-(4-methylpiperazin-1-yl)-3-phenyl-4-(pyridin-4-yl)pyridazine","C20 H21 N5","CN1CCN(CC1)c1nnc(c2ccccc2)c(c1)c1ccncc1;CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccccc4;CN1CCN(CC1)c2cc(c(nn2)c3ccccc3)c4ccncc4","InChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3","","2025-04-09","2025-04-25","6-(4-methylpiperazin-1-yl)-3-phenyl-4-(pyridin-4-yl)pyridazine","2025-04-30"],["P6A","3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole","C14 H10 Cl N O2","Cc2c(c(c1oc(cc1)Cl)no2)c3ccccc3;Cc1onc(c2oc(Cl)cc2)c1c3ccccc3;Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3","InChI=1S/C14H10ClNO2/c1-9-13(10-5-3-2-4-6-10)14(16-18-9)11-7-8-12(15)17-11/h2-8H,1H3","","2016-12-09","2017-08-04","3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole","2017-08-09"],["A1B8D","N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide","C20 H16 N4 O5 S","COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc2nonc12;COc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)C(=O)Nc3cccc4nonc34;COc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)Nc3cccc4c3non4","InChI=1S/C20H16N4O5S/c1-28-15-8-10-16(11-9-15)30(26,27)24-14-5-2-4-13(12-14)20(25)21-17-6-3-7-18-19(17)23-29-22-18/h2-12,24H,1H3,(H,21,25)","","2025-04-10","2025-07-04","N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide","2025-07-09"],["P6B","(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol","C13 H15 N3 O2","C3CN(Cc1onc(n1)c2ccccc2)CC3O;O[CH]1CCN(C1)Cc2onc(n2)c3ccccc3;c1ccc(cc1)c2nc(on2)CN3CCC(C3)O","InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1","","2016-03-15","2016-03-18","(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol","2016-03-23"],["P6C","2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID","C10 H11 N5 O2","O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N;CC(C)c1nc(N)nc2ncc(nc12)C(O)=O;CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N","InChI=1S/C10H11N5O2/c1-4(2)6-7-8(15-10(11)14-6)12-3-5(13-7)9(16)17/h3-4H,1-2H3,(H,16,17)(H2,11,12,14,15)","","2002-09-27","2011-06-04","2-amino-4-(1-methylethyl)pteridine-6-carboxylic acid",""],["P6D","2'-azidocytidine","C9 H13 N6 O4","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-];C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[NH-]","InChI=1S/C9H13N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,11,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1","","2019-07-31","2020-07-24","","2020-07-29"],["P6E","N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide","C20 H17 Cl N2 O4 S","N[S](=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc3cccc(Cl)c3;c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl","InChI=1S/C20H17ClN2O4S/c21-15-7-4-8-17(12-15)27-18-10-9-16(13-19(18)28(22,25)26)23-20(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24)(H2,22,25,26)","","2023-03-04","2023-10-13","~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide","2023-10-18"],["A1B8U","3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide","C16 H14 N4 O2","O=C(Nc1cc2CNCc2cc1)c1cccc2onc(N)c12;Nc1noc2cccc(C(=O)Nc3ccc4CNCc4c3)c12;c1cc(c2c(c1)onc2N)C(=O)Nc3ccc4c(c3)CNC4","InChI=1S/C16H14N4O2/c17-15-14-12(2-1-3-13(14)22-20-15)16(21)19-11-5-4-9-7-18-8-10(9)6-11/h1-6,18H,7-8H2,(H2,17,20)(H,19,21)","","2025-04-11","2025-04-18","3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide","2025-04-23"],["A1B8V","N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide","C17 H16 N4 O","O=C(Nc1cc2CNCc2cc1)c1cccc2nn(C)cc12;Cn1cc2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1;Cn1cc2c(cccc2n1)C(=O)Nc3ccc4c(c3)CNC4","InChI=1S/C17H16N4O/c1-21-10-15-14(3-2-4-16(15)20-21)17(22)19-13-6-5-11-8-18-9-12(11)7-13/h2-7,10,18H,8-9H2,1H3,(H,19,22)","","2025-04-11","2025-04-18","N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide","2025-04-23"],["P6F","1,6-di-O-phosphono-D-fructose","C6 H14 O12 P2","O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1","","2009-03-02","2024-09-27","1,6-di-O-phosphono-D-fructose",""],["P6G","HEXAETHYLENE GLYCOL","C12 H26 O7","O(CCO)CCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCO)O","InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2","POLYETHYLENE GLYCOL PEG400","2000-11-29","2021-03-01","3,6,9,12,15-pentaoxaheptadecane-1,17-diol",""],["A1B8Y","(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide","C17 H21 F2 N3 O","CC1CC2(CC(F)(F)C2)CN1C(=O)Nc1cc2CNCc2cc1;C[CH]1CC2(CN1C(=O)Nc3ccc4CNCc4c3)CC(F)(F)C2;CC1CC2(CC(C2)(F)F)CN1C(=O)Nc3ccc4c(c3)CNC4","InChI=1S/C17H21F2N3O/c1-11-5-16(8-17(18,19)9-16)10-22(11)15(23)21-14-3-2-12-6-20-7-13(12)4-14/h2-4,11,20H,5-10H2,1H3,(H,21,23)","","2025-04-11","2025-04-18","(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide","2025-04-23"],["A1B8Z","(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide","C18 H15 Cl N4 O","Clc1cc(c(cc1)n1ccnc1)C(=O)Nc1cc2CNCc2cc1;Clc1ccc(n2ccnc2)c(c1)C(=O)Nc3ccc4CNCc4c3;c1cc2c(cc1NC(=O)c3cc(ccc3n4ccnc4)Cl)CNC2","InChI=1S/C18H15ClN4O/c19-14-2-4-17(23-6-5-20-11-23)16(8-14)18(24)22-15-3-1-12-9-21-10-13(12)7-15/h1-8,11,21H,9-10H2,(H,22,24)","","2025-04-11","2025-04-18","(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide","2025-04-23"],["P6H","(2-methylsulfonylphenyl)methanol","C8 H10 O3 S","C[S](=O)(=O)c1ccccc1CO;CS(=O)(=O)c1ccccc1CO","InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3","","2020-04-16","2024-09-27","(2-methylsulfonylphenyl)methanol","2020-09-23"],["P6I","N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide","C23 H19 Cl N2 O S2","Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(SC)cc2)sc1;CSc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4ccccc34;CSc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4","InChI=1S/C23H19ClN2OS2/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3","","2022-05-25","2023-08-25","N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide","2023-08-30"],["A1B9A","6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide","C19 H19 N5 O","O=C(Nc1cc2CNCc2cc1)c1cc(nc2c1cnn2C)C1CC1;Cn1ncc2c1nc(cc2C(=O)Nc3ccc4CNCc4c3)C5CC5;Cn1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)CNC5","InChI=1S/C19H19N5O/c1-24-18-16(10-21-24)15(7-17(23-18)11-2-3-11)19(25)22-14-5-4-12-8-20-9-13(12)6-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,22,25)","","2025-04-11","2025-04-18","6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide","2025-04-23"],["P6J","N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide","C22 H21 F2 N5 O3 S","COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(F)cc(c3)NC(=O)c4cnc(cn4)OCC#C;COC[C]12C[CH]1[C](C)(N=C(N)S2)c3cc(NC(=O)c4cnc(OCC#C)cn4)cc(F)c3F;CC1(C2CC2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C","InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1","","2019-08-01","2019-10-18","N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide","2019-10-23"],["P6L","(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE","C40 H75 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C/CCCCCCCCC)CCCCC=C/CCCCCCCCC;CCCCCCCCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCCCCC;CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCCCCC","InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,22,24,37-38,41-42H,3-17,19,21,23,25-36H2,1-2H3,(H,45,46)/b20-18+,24-22-/t37-,38+/m1/s1","","2005-03-04","2011-06-04","(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-hexadec-6-enoyloxy]propyl (8E)-octadec-8-enoate",""],["A1B9E","(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide","C21 H22 Cl F2 N3 O","FC(F)CNC(=O)C(Nc1ccc2CNCc2c1)c1cc(cc(Cl)c1)C1CC1;FC(F)CNC(=O)[CH](Nc1ccc2CNCc2c1)c3cc(Cl)cc(c3)C4CC4;c1cc2c(cc1NC(c3cc(cc(c3)Cl)C4CC4)C(=O)NCC(F)F)CNC2","InChI=1S/C21H22ClF2N3O/c22-17-6-14(12-1-2-12)5-15(7-17)20(21(28)26-11-19(23)24)27-18-4-3-13-9-25-10-16(13)8-18/h3-8,12,19-20,25,27H,1-2,9-11H2,(H,26,28)/t20-/m1/s1","","2025-04-11","2025-04-18","(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide","2025-04-23"],["P6M","(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine","C17 H20 F5 N3 S","Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C(SC(C3)C)N;C[CH]1C[C](C)(N=C(N)S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F;CC1CC(N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F","InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1","","2016-09-29","2017-01-06","(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine","2017-01-11"],["P6N","(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one","C11 H12 O","C[CH]1CCc2ccccc2C1=O;CC1CCc2ccccc2C1=O","InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1","","2020-04-16","2024-09-27","(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one","2020-04-29"],["A1B9M","(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide","C20 H22 Cl N5 O","CC(C)NC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12;CC(C)NC(=O)[CH](Nc1ccc2CNCc2c1)c3cc(Cl)cc4[nH]ncc34;CC(C)NC(=O)C(c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)CNC4","InChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1","","2025-04-11","2025-04-18","(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide","2025-04-23"],["A1B9O","N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide","C18 H20 N4 O","NCc1cc(ccc1)NC(=O)c1cccc2[NH]c(nc12)C(C)C;CC(C)c1[nH]c2cccc(C(=O)Nc3cccc(CN)c3)c2n1;CC(C)c1[nH]c2cccc(c2n1)C(=O)Nc3cccc(c3)CN","InChI=1S/C18H20N4O/c1-11(2)17-21-15-8-4-7-14(16(15)22-17)18(23)20-13-6-3-5-12(9-13)10-19/h3-9,11H,10,19H2,1-2H3,(H,20,23)(H,21,22)","","2025-04-11","2025-04-18","N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide","2025-04-23"],["P6O","(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide","C19 H14 Cl N3 O3","Clc1ccc2NC(=O)CC(O)(c2c1)C(=O)Nc1cncc2ccccc21;O[C]1(CC(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;c1ccc2c(c1)cncc2NC(=O)C3(CC(=O)Nc4c3cc(cc4)Cl)O","InChI=1S/C19H14ClN3O3/c20-12-5-6-15-14(7-12)19(26,8-17(24)22-15)18(25)23-16-10-21-9-11-3-1-2-4-13(11)16/h1-7,9-10,26H,8H2,(H,22,24)(H,23,25)/t19-/m0/s1","","2023-08-18","2023-11-03","(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide","2023-11-08"],["P6P","6-O-phosphono-alpha-D-fructofuranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)(CO)C(O)C1O;OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1","alpha fructose-6-phosphate; 6-O-phosphono-alpha-D-fructose; 6-O-phosphono-D-fructose; 6-O-phosphono-fructose","2009-08-17","2020-07-17","6-O-phosphono-alpha-D-fructofuranose",""],["1B9","3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine","C18 H18 Br Cl N2 O2 S","Brc1c(csc1)CC(NC3=NC(C)(C)Cc2cc(Cl)ccc23)C(=O)O;CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3cscc3Br)C(O)=O;CC1(Cc2cc(ccc2C(=N1)NC(Cc3cscc3Br)C(=O)O)Cl)C","InChI=1S/C18H18BrClN2O2S/c1-18(2)7-10-5-12(20)3-4-13(10)16(22-18)21-15(17(23)24)6-11-8-25-9-14(11)19/h3-5,8-9,15H,6-7H2,1-2H3,(H,21,22)(H,23,24)/t15-/m0/s1","","2012-11-21","2013-03-01","3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine","2013-03-06"],["P6Q","Meta-Carborane propyl-sulfonamide","C5 H8 B10 N O2 S","N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B]348%10;B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N","InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-4-8-11(4)5-6-10(4,5)14(6)13-7(5)12(5,11)9(13)15(4,8,13)14/h1-3H2,(H2,16,17,18)","","2020-04-16","2020-08-14","","2020-08-19"],["P6R","N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide","C26 H25 Cl N2 O S","Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2)C(C)(C)C)sc1;CC(C)(C)c1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4ccccc34;CC(C)(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4","InChI=1S/C26H25ClN2OS/c1-26(2,3)20-8-10-22(11-9-20)29(16-23-13-21(27)17-31-23)25(30)12-19-15-28-14-18-6-4-5-7-24(18)19/h4-11,13-15,17H,12,16H2,1-3H3","","2022-05-25","2023-08-25","N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide","2023-08-30"],["1BA","4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE","C17 H20 N2 O2","O=C(c1ccc(O)cc1)NNCc2ccc(cc2)C(C)C;CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1;CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O","InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)","","2006-04-21","2011-06-04","4-hydroxy-N'-[4-(1-methylethyl)benzyl]benzohydrazide",""],["P6S","benzyl hydrogen carbonate","C8 H8 O3","C(OC(=O)O)c1ccccc1;OC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)O","InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)","","2019-08-02","2024-09-27","benzyl hydrogen carbonate","2020-02-05"],["1BB","2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile","C24 H22 Cl N5 O","Clc4cc1c(C(=NC(C)(C)C1)NC(C2=NC(=O)C(C#N)=CN2)Cc3ccccc3)cc4;CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N;CC1(Cc2cc(ccc2C(=N1)NC(Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C","InChI=1S/C24H22ClN5O/c1-24(2)12-16-11-18(25)8-9-19(16)21(30-24)28-20(10-15-6-4-3-5-7-15)22-27-14-17(13-26)23(31)29-22/h3-9,11,14,20H,10,12H2,1-2H3,(H,28,30)(H,27,29,31)/t20-/m0/s1","","2012-11-21","2013-03-01","2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile","2013-03-06"],["P6T","1,6-di-O-phosphono-D-tagatose","C6 H14 O12 P2","O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1","","2009-03-02","2011-06-04","1,6-di-O-phosphono-D-tagatose",""],["1BC","2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one","C27 H29 Cl N6 O S","O=C1N=C(N=CC1)C(/N=C3/c2ccc(Cl)cc2CC(N3)(C)C)Cc5c(scc5c4cnnc4)CCC;CCCc1scc(c1C[CH](N=C2NC(C)(C)Cc3cc(Cl)ccc23)C4=NC(=O)CC=N4)c5c[nH]nc5;CCCc1c(c(cs1)c2c[nH]nc2)CC(C3=NC(=O)CC=N3)N=C4c5ccc(cc5CC(N4)(C)C)Cl","InChI=1S/C27H29ClN6OS/c1-4-5-23-20(21(15-36-23)17-13-30-31-14-17)11-22(26-29-9-8-24(35)33-26)32-25-19-7-6-18(28)10-16(19)12-27(2,3)34-25/h6-7,9-10,13-15,22H,4-5,8,11-12H2,1-3H3,(H,30,31)(H,32,34)/t22-/m0/s1","","2012-11-21","2013-03-01","2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one","2013-03-06"],["1BD","3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid","C11 H10 F3 N O3","FC(F)(F)c1ccccc1C=NOCCC(=O)O;OC(=O)CCON=Cc1ccccc1C(F)(F)F;c1ccc(c(c1)C=NOCCC(=O)O)C(F)(F)F","InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+","(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid","2009-03-27","2020-06-17","3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid",""],["P6U","(4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","C16 H18 F5 N3 S","CC1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F;C[C]1(CCSC(=N1)N)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F;CC1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F","InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1","","2016-08-23","2017-01-06","(4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","2017-01-11"],["P6V","4-(aminomethyl)-N-hydroxybenzamide","C8 H10 N2 O2","C(NO)(c1ccc(CN)cc1)=O;NCc1ccc(cc1)C(=O)NO;c1cc(ccc1CN)C(=O)NO","InChI=1S/C8H10N2O2/c9-5-6-1-3-7(4-2-6)8(11)10-12/h1-4,12H,5,9H2,(H,10,11)","","2019-08-02","2020-01-31","4-(aminomethyl)-N-hydroxybenzamide","2020-02-05"],["1BE","N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine","C24 H27 Cl N4 O2 S","O=C(O)C(NC2=NC(C)(C)Cc1cc(Cl)ccc12)Cc4c(scc4c3cnnc3)CCC;CCCc1scc(c1C[CH](NC2=NC(C)(C)Cc3cc(Cl)ccc23)C(O)=O)c4c[nH]nc4;CCCc1c(c(cs1)c2c[nH]nc2)CC(C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C","InChI=1S/C24H27ClN4O2S/c1-4-5-21-18(19(13-32-21)15-11-26-27-12-15)9-20(23(30)31)28-22-17-7-6-16(25)8-14(17)10-24(2,3)29-22/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t20-/m0/s1","","2012-11-21","2013-03-01","N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine","2013-03-06"],["P6W","pentanediamide","C5 H10 N2 O2","NC(=O)CCCC(N)=O;C(CC(=O)N)CC(=O)N","InChI=1S/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9)","Glutaramide","2020-04-16","2020-06-17","pentanediamide","2020-06-03"],["1BF","N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine","C21 H21 Cl N4 O2 S","O=C(O)C(NC2=NC(C)(C)Cc1cc(Cl)ccc12)Cc4cscc4c3cnnc3;CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3cscc3c4c[nH]nc4)C(O)=O;CC1(Cc2cc(ccc2C(=N1)NC(Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C","InChI=1S/C21H21ClN4O2S/c1-21(2)7-12-5-15(22)3-4-16(12)19(26-21)25-18(20(27)28)6-13-10-29-11-17(13)14-8-23-24-9-14/h3-5,8-11,18H,6-7H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-/m0/s1","","2012-11-21","2013-03-01","N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine","2013-03-06"],["P6X","3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol","C10 H7 Cl2 N3 O S","Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1;Oc1cnnc(SCc2ccc(Cl)c(Cl)c2)n1;c1cc(c(cc1CSc2nc(cnn2)O)Cl)Cl","InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16)","","2023-05-05","2023-06-09","3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol","2023-06-14"],["1BG","(3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide","C30 H45 N5 O3","O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC4c3ccccc3CCC4)C5CCCCC5)C(NC)C;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3CCCN3C[CH]2C(=O)N[CH]4CCCc5ccccc45;CC(C(=O)NC(C1CCCCC1)C(=O)N2CC3CCCN3CC2C(=O)NC4CCCc5c4cccc5)NC","InChI=1S/C30H45N5O3/c1-20(31-2)28(36)33-27(22-11-4-3-5-12-22)30(38)35-18-23-14-9-17-34(23)19-26(35)29(37)32-25-16-8-13-21-10-6-7-15-24(21)25/h6-7,10,15,20,22-23,25-27,31H,3-5,8-9,11-14,16-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,23+,25+,26-,27-/m0/s1","","2012-11-26","2013-07-31","(3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide","2013-01-25"],["P6Y","N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide","C15 H12 F3 N3 O3","c2(C(NCc1ccc(cc1)C(NO)=O)=O)cccnc2C(F)(F)F;ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1;c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO","InChI=1S/C15H12F3N3O3/c16-15(17,18)12-11(2-1-7-19-12)14(23)20-8-9-3-5-10(6-4-9)13(22)21-24/h1-7,24H,8H2,(H,20,23)(H,21,22)","","2019-08-02","2020-01-31","N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide","2020-02-05"],["1BH","N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL","C26 H33 N3 O5","O=C(NC(Cc1ccccc1)C(O)C)C3N(C(=O)C(NC(=O)OCc2ccccc2)C)CCC3;C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)[CH](C)NC(=O)OCc3ccccc3;CC(C(Cc1ccccc1)NC(=O)C2CCCN2C(=O)C(C)NC(=O)OCc3ccccc3)O","InChI=1S/C26H33N3O5/c1-18(27-26(33)34-17-21-12-7-4-8-13-21)25(32)29-15-9-14-23(29)24(31)28-22(19(2)30)16-20-10-5-3-6-11-20/h3-8,10-13,18-19,22-23,30H,9,14-17H2,1-2H3,(H,27,33)(H,28,31)/t18-,19+,22-,23-/m0/s1","","1999-07-08","2024-09-27","N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-prolinamide",""],["P6Z","3-imidazol-1-ylbenzaldehyde","C10 H8 N2 O","O=Cc1cccc(c1)n2ccnc2;c1cc(cc(c1)n2ccnc2)C=O","InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H","","2020-04-16","2024-09-27","3-imidazol-1-ylbenzaldehyde","2020-09-23"],["1BI","3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide","C31 H33 N3 O6 S","O=C(N1CCOCC1)Cn5c3cc(C(=O)NS(=O)(=O)c2ccccc2)ccc3c(c5c4ccoc4)C6CCCCC6;O=C(Cn1c2cc(ccc2c(C3CCCCC3)c1c4cocc4)C(=O)N[S](=O)(=O)c5ccccc5)N6CCOCC6;c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6","InChI=1S/C31H33N3O6S/c35-28(33-14-17-39-18-15-33)20-34-27-19-23(31(36)32-41(37,38)25-9-5-2-6-10-25)11-12-26(27)29(22-7-3-1-4-8-22)30(34)24-13-16-40-21-24/h2,5-6,9-13,16,19,21-22H,1,3-4,7-8,14-15,17-18,20H2,(H,32,36)","","2012-08-21","2013-02-15","3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide","2013-02-15"],["P70","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine","C17 H19 N2 O7 P","C(=O)(O)C(N=Cc1c(c(C)ncc1COP(O)(O)=O)O)Cc2ccccc2;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](Cc2ccccc2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(Cc2ccccc2)C(=O)O)O","InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,15,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b19-9+/t15-/m0/s1","","2018-06-22","2018-10-05","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine","2018-10-10"],["1BJ","trans-4-{[4-(1H-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol","C17 H19 N5 O","OC4CCC(Nc1nccc(n1)n3ncc2ccccc23)CC4;O[CH]1CC[CH](CC1)Nc2nccc(n2)n3ncc4ccccc34;c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O","InChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)22-15-4-2-1-3-12(15)11-19-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,20,21)/t13-,14-","","2012-11-26","2013-10-25","trans-4-{[4-(1H-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol","2013-10-30"],["P71","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid","C17 H19 N2 O7 P","C(C(=NC=C1C(=CNC(=C1O)C)COP(=O)(O)O)Cc2ccccc2)(O)=O;CC1=C(O)C(=CN=C(Cc2ccccc2)C(O)=O)C(=CN1)CO[P](O)(O)=O;CC1=C(C(=CN=C(Cc2ccccc2)C(=O)O)C(=CN1)COP(=O)(O)O)O","InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,18,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b14-9-,19-15+","","2018-06-22","2018-10-05","(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid","2018-10-10"],["1BK","trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol","C21 H27 N5 O4 S","O=S(=O)(C)CCCOc1cccc2c1cnn2c3nc(ncc3)NC4CCC(O)CC4;C[S](=O)(=O)CCCOc1cccc2n(ncc12)c3ccnc(N[CH]4CC[CH](O)CC4)n3;CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O","InChI=1S/C21H27N5O4S/c1-31(28,29)13-3-12-30-19-5-2-4-18-17(19)14-23-26(18)20-10-11-22-21(25-20)24-15-6-8-16(27)9-7-15/h2,4-5,10-11,14-16,27H,3,6-9,12-13H2,1H3,(H,22,24,25)/t15-,16-","","2012-11-26","2013-10-25","trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol","2013-10-30"],["1BL","(2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid","C31 H42 F2 N2 O5","O=C(O)C(O)CCC(=O)NC(C(O)CNC2(c1cccc(c1)C(C)(C)C)CCCCC2)Cc3cc(F)cc(F)c3;CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[CH](O)[CH](Cc3cc(F)cc(F)c3)NC(=O)CC[CH](O)C(O)=O;CC(C)(C)c1cccc(c1)C2(CCCCC2)NCC(C(Cc3cc(cc(c3)F)F)NC(=O)CCC(C(=O)O)O)O","InChI=1S/C31H42F2N2O5/c1-30(2,3)21-8-7-9-22(17-21)31(12-5-4-6-13-31)34-19-27(37)25(16-20-14-23(32)18-24(33)15-20)35-28(38)11-10-26(36)29(39)40/h7-9,14-15,17-18,25-27,34,36-37H,4-6,10-13,16,19H2,1-3H3,(H,35,38)(H,39,40)/t25-,26+,27+/m0/s1","","2012-11-26","2013-03-01","(2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid","2013-03-06"],["P72","4-oxidanylbenzenecarboximidamide","C7 H8 N2 O","NC(=N)c1ccc(O)cc1;c1cc(ccc1C(=N)N)O","InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)","","2020-04-16","2020-12-04","4-oxidanylbenzenecarboximidamide","2020-12-09"],["P73","1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea","C15 H15 Br2 N3 O","CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1;CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br","InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)","","2023-03-04","2023-10-13","1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea","2023-10-18"],["1BM","3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL","C24 H29 N7 O","Oc1cc(c(cc1)C)Nc2nc(nc(NCCN(CC)CC)c2)n3c4ccccc4nc3;CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)n3cnc4ccccc34;CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O","InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29)","","2006-07-19","2011-06-04","3-{[2-(1H-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol",""],["P74","TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE","C24 H36 I N3 O3","O=C(OC(C)(C)C)NCC#Cc1cc(c(O)c(I)c1)CN2CCC(N(CC)CC)CC2;CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCNC(=O)OC(C)(C)C;CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C","InChI=1S/C24H36IN3O3/c1-6-28(7-2)20-10-13-27(14-11-20)17-19-15-18(16-21(25)22(19)29)9-8-12-26-23(30)31-24(3,4)5/h15-16,20,29H,6-7,10-14,17H2,1-5H3,(H,26,30)","","2012-01-30","2014-09-05","tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate",""],["1BN","1-BENZYL-1H-IMIDAZOLE","C10 H10 N2","n1ccn(c1)Cc2ccccc2;C(n1ccnc1)c2ccccc2;c1ccc(cc1)Cn2ccnc2","InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2","1-BENZYLIMIDAZOLE","2005-08-01","2021-03-01","1-benzyl-1H-imidazole",""],["1BO","1-BUTANOL","C4 H10 O","OCCCC;CCCCO;CCCCO","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","BUTAN-1-OL","2000-11-07","2024-09-27","butan-1-ol",""],["P75","4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide","C19 H22 N6 O7 S","CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N","InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1","","2020-04-16","2021-04-23","4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide","2021-04-28"],["1BP","1-BROMOPROPANE-2-OL","C3 H7 Br O","BrCC(O)C;C[CH](O)CBr;CC(CBr)O","InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1","","2003-08-08","2011-06-04","(2R)-1-bromopropan-2-ol",""],["P76","N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide","C24 H27 N3 O4","O=C(NC(C(=O)NO)C(O)C)N3CCC(c2ccc(C#Cc1ccccc1)cc2)CC3;C[CH](O)[CH](NC(=O)N1CC[CH](CC1)c2ccc(cc2)C#Cc3ccccc3)C(=O)NO;CC(C(C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O","InChI=1S/C24H27N3O4/c1-17(28)22(23(29)26-31)25-24(30)27-15-13-21(14-16-27)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,21-22,28,31H,13-16H2,1H3,(H,25,30)(H,26,29)/t17-,22+/m1/s1","","2010-10-20","2011-06-04","N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide",""],["P77","2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine","C20 H24 Cl N3 S","Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4;CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1;CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl","InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3","","2010-03-10","2011-06-04","2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine",""],["1BQ","[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone","C24 H26 N4 O4 S","O=C(N1CCC(CCO)CC1)c2ccc(cc2)c5cc4c3c(cnn3)S(=O)(=O)N(c4cc5)C;CN1c2ccc(cc2c3[nH]ncc3[S]1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CCO)CC5;CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO","InChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26)","","2012-11-28","2013-03-01","[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone","2013-03-06"],["P78","1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea","C24 H27 N3 O4 S2","O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)Nc4cc3ccccc3cc4;CC(C)(C)c1sc(NC(=O)Nc2ccc3ccccc3c2)c(c1)C(=O)N4CC[S](=O)(=O)CC4;CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4","InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-19(22(28)27-10-12-33(30,31)13-11-27)21(32-20)26-23(29)25-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29)","","2010-10-14","2011-10-07","1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea",""],["1BR","N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide","C22 H26 N4 O2 S","O=S2(=O)c1cnn(c1c4c(N2C)ccc(NCc3ccc(cc3)C(C)(C)C)c4)C;Cn1ncc2c1c3cc(NCc4ccc(cc4)C(C)(C)C)ccc3N(C)[S]2(=O)=O;CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C","InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3","","2012-11-28","2013-02-01","N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide","2013-02-01"],["P79","1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea","C24 H29 N5 O4 S","O=S4(=O)CCN(C(=O)Cn3nc(cc3NC(=O)Nc2cc1ccccc1cc2)C(C)(C)C)CC4;CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(CC(=O)N4CC[S](=O)(=O)CC4)n1;CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3","InChI=1S/C24H29N5O4S/c1-24(2,3)20-15-21(29(27-20)16-22(30)28-10-12-34(32,33)13-11-28)26-23(31)25-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-15H,10-13,16H2,1-3H3,(H2,25,26,31)","","2010-10-13","2011-10-07","1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea",""],["1BS","2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one","C26 H24 Cl N5 O","Clc1cc2c(cc1)C(=NC(C)(C)C2)NC(C4=NC(=O)c3cnccc3N4)Cc5ccccc5;CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3ccccc3)C4=NC(=O)c5cnccc5N4;CC1(Cc2cc(ccc2C(=N1)NC(Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C","InChI=1S/C26H24ClN5O/c1-26(2)14-17-13-18(27)8-9-19(17)23(32-26)30-22(12-16-6-4-3-5-7-16)24-29-21-10-11-28-15-20(21)25(33)31-24/h3-11,13,15,22H,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t22-/m0/s1","","2012-11-28","2013-03-01","2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one","2013-03-06"],["1BT","(2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile","C23 H18 N8 S","N#CC=Cc1cc(c(c(c1)C)Nc3nc2c(ncn2)c(n3)Nc4cc5ncsc5cc4)C;Cc1cc(C=CC#N)cc(C)c1Nc2nc3[nH]cnc3c(Nc4ccc5scnc5c4)n2;Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)C=CC#N","InChI=1S/C23H18N8S/c1-13-8-15(4-3-7-24)9-14(2)19(13)29-23-30-21-20(25-11-26-21)22(31-23)28-16-5-6-18-17(10-16)27-12-32-18/h3-6,8-12H,1-2H3,(H3,25,26,28,29,30,31)/b4-3+","","2012-11-28","2013-01-11","(2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile","2013-01-11"],["P7A","1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea","C23 H27 N3 O3 S2","O=S4(=O)CCN(c1sc(cc1NC(=O)Nc3c2ccccc2ccc3)C(C)(C)C)CC4;CC(C)(C)c1sc(N2CC[S](=O)(=O)CC2)c(NC(=O)Nc3cccc4ccccc34)c1;CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4","InChI=1S/C23H27N3O3S2/c1-23(2,3)20-15-19(21(30-20)26-11-13-31(28,29)14-12-26)25-22(27)24-18-10-6-8-16-7-4-5-9-17(16)18/h4-10,15H,11-14H2,1-3H3,(H2,24,25,27)","","2010-10-13","2011-10-07","1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea",""],["P7B","1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea","C25 H28 N4 O3 S","O=C(Nc2sc(cc2C(=O)N1CCC(=O)NCC1)C(C)(C)C)Nc4c3ccccc3ccc4;CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1)C(=O)N4CCNC(=O)CC4;CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4","InChI=1S/C25H28N4O3S/c1-25(2,3)20-15-18(23(31)29-13-11-21(30)26-12-14-29)22(33-20)28-24(32)27-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H,26,30)(H2,27,28,32)","","2010-10-13","2011-10-07","1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea",""],["1BU","1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea","C29 H30 N8 O","O=C(Nc3ccc(Nc2ncnc1c2cc(N)cc1)cc3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C;Cc1cccc(c1)n2nc(cc2NC(=O)Nc3ccc(Nc4ncnc5ccc(N)cc45)cc3)C(C)(C)C;Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N","InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)","1-[4-(6-Amino-quinazolin-4-ylamino)-phenyl]-3-(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-urea","2008-11-05","2021-03-01","1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea",""],["P7C","1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea","C25 H33 Cl2 N5 O3 S","O=C(Nc2sc(cc2C(=O)N1CCC(=O)N(CCN(C)C)CC1)C(C)(C)C)Nc3cccc(Cl)c3Cl;CN(C)CCN1CCN(CCC1=O)C(=O)c2cc(sc2NC(=O)Nc3cccc(Cl)c3Cl)C(C)(C)C;CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C","InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)","","2010-10-13","2011-10-07","1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea",""],["1BV","(2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide","C41 H51 N7 O9 S","O=C(NC2C=CCC=CCCC6CC6(C(=O)NS(=O)(=O)C1(C)CC1)NC(=O)C5N(C2=O)CC(Oc3c4ccc(OC)c(c4nc(OC(C)C)c3)C)C5)c7nn(cc7)C;COc1ccc2c(O[CH]3C[CH]4N(C3)C(=O)[CH](NC(=O)c5ccn(C)n5)C=CCC=CCC[CH]6C[C]6(NC4=O)C(=O)N[S](=O)(=O)C7(C)CC7)cc(OC(C)C)nc2c1C;Cc1c(ccc2c1nc(cc2OC3CC4C(=O)NC5(CC5CCC=CCC=CC(C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC","InChI=1S/C41H51N7O9S/c1-24(2)56-34-21-33(28-14-15-32(55-6)25(3)35(28)43-34)57-27-20-31-37(50)44-41(39(52)46-58(53,54)40(4)17-18-40)22-26(41)12-10-8-7-9-11-13-30(38(51)48(31)23-27)42-36(49)29-16-19-47(5)45-29/h7-8,11,13-16,19,21,24,26-27,30-31H,9-10,12,17-18,20,22-23H2,1-6H3,(H,42,49)(H,44,50)(H,46,52)/b8-7+,13-11+/t26-,27-,30+,31+,41-/m1/s1","","2012-11-28","2012-12-28","(2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide","2012-12-28"],["P7D","Resminostat","C16 H19 N3 O4 S","c1cc(ccc1CN(C)C)S(n2ccc(C=CC(=O)NO)c2)(=O)=O;CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(C=CC(=O)NO)c2;CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C=CC(=O)NO","InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+","(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide","2019-08-02","2020-06-17","(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide","2019-12-04"],["1BW","N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide","C10 H20 N2 O4","O=C(NC1C(O)C(O)C(NC1)CO)CCC;CCCC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O;CCCC(=O)NC1CNC(C(C1O)O)CO","InChI=1S/C10H20N2O4/c1-2-3-8(14)12-6-4-11-7(5-13)10(16)9(6)15/h6-7,9-11,13,15-16H,2-5H2,1H3,(H,12,14)/t6-,7+,9+,10+/m0/s1","","2012-11-29","2013-06-14","N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide","2013-06-19"],["P7E","4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde","C13 H16 N2 O4 S","CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2;CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C13H16N2O4S/c1-11(17)14-6-8-15(9-7-14)20(18,19)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3","","2020-04-16","2024-09-27","4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde","2020-09-23"],["1BX","1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one","C13 H13 N O3","O=C1C=C(C=C(N1O)Cc2ccc(O)cc2)C;CC1=CC(=O)N(O)C(=C1)Cc2ccc(O)cc2;CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O","InChI=1S/C13H13NO3/c1-9-6-11(14(17)13(16)7-9)8-10-2-4-12(15)5-3-10/h2-7,15,17H,8H2,1H3","","2012-11-29","2013-05-17","1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one","2013-05-22"],["P7F","(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid","C28 H30 N2 O6","CC[CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O;CCC(C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3","InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1","","2018-07-10","2020-01-10","(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid","2020-01-15"],["1BY","[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","C7 H12 N2 O6 P2","O=P(O)(O)C(CNc1ncccc1)P(=O)(O)O;O[P](O)(=O)C(CNc1ccccn1)[P](O)(O)=O;c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)","","2006-08-14","2011-06-04","[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)",""],["P7G","7-propyl, guanosine-5'-monophosphate","C13 H22 N5 O8 P","CCCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)N=C(N)N3;CCCN1CN(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C13H22N5O8P/c1-2-3-17-5-18(10-7(17)11(21)16-13(14)15-10)12-9(20)8(19)6(26-12)4-25-27(22,23)24/h6,8-9,12,19-20H,2-5H2,1H3,(H2,22,23,24)(H3,14,15,16,21)/t6-,8-,9-,12-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-7-propyl-3,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["1BZ","6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one","C13 H13 N O2","O=C1C=C(C=C(N1O)Cc2ccccc2)C;CC1=CC(=O)N(O)C(=C1)Cc2ccccc2;CC1=CC(=O)N(C(=C1)Cc2ccccc2)O","InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3","","2012-11-29","2013-05-17","6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one","2013-05-22"],["P7H","Meta-Carborane di-propyl-sulfonamide","C8 H16 B10 N2 O4 S2","N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]47%11[B]%12%13%18[C]%14%16%17%19CCC[S](N)(=O)=O;B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N","InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-8(4-2-6-26(20,23)24)10(7,9)12(7)14(8,10)16(8)13(8,9)11(7,9)15(7,12)17(11,13,16)18(12,14,15)16/h1-6H2,(H2,19,21,22)(H2,20,23,24)","","2020-04-16","2020-08-14","","2020-08-19"],["1C0","5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide","C28 H25 B F2 N2 O6 S","Fc1c6B(O)OCc6cc(c1)CN(c4c(cc2c(oc(c2C(=O)NC)c3ccc(F)cc3)c4)C5CC5)S(=O)(=O)C;CNC(=O)c1c(oc2cc(N(Cc3cc(F)c4B(O)OCc4c3)[S](C)(=O)=O)c(cc12)C5CC5)c6ccc(F)cc6;B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O","InChI=1S/C28H25BF2N2O6S/c1-32-28(34)25-21-11-20(16-3-4-16)23(12-24(21)39-27(25)17-5-7-19(30)8-6-17)33(40(2,36)37)13-15-9-18-14-38-29(35)26(18)22(31)10-15/h5-12,16,35H,3-4,13-14H2,1-2H3,(H,32,34)","","2013-04-26","2013-05-03","5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide","2013-05-08"],["1C1","amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi\nnium","C19 H20 Cl F N5 O2","Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3CNC(=[NH2+])N;NC(=[NH2+])NC[CH]1Cc2ccccc2[CH]1NC(=O)C(=O)Nc3ccc(Cl)c(F)c3;c1ccc2c(c1)CC(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N","InChI=1S/C19H19ClFN5O2/c20-14-6-5-12(8-15(14)21)25-17(27)18(28)26-16-11(9-24-19(22)23)7-10-3-1-2-4-13(10)16/h1-6,8,11,16H,7,9H2,(H,25,27)(H,26,28)(H4,22,23,24)/p+1/t11-,16-/m1/s1","[amino({[(1R,2R)-1-{[(4-chloro-3- fluorophenyl)carbamoyl]formamido}-2,3-dihydro-1H-\ninden-2-yl]methyl}amino)methylidene]azanium","2012-11-30","2020-06-17","amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methaniminium","2013-05-29"],["P7I","(2-aminoethyl)phosphonic acid","C2 H8 N O3 P","O=P(O)(O)CCN;NCC[P](O)(O)=O;C(CP(=O)(O)O)N","InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)","","2010-10-20","2024-11-26","(2-aminoethyl)phosphonic acid",""],["P7J","4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide","C18 H26 N2 O2","c3c(CNCC2CCC1CC2C1(C)C)ccc(C(NO)=O)c3;CC1(C)[CH]2CC[CH](CNCc3ccc(cc3)C(=O)NO)[CH]1C2;CC1(C2CCC(C1C2)CNCc3ccc(cc3)C(=O)NO)C","InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1","","2019-08-02","2020-01-31","4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide","2020-02-05"],["1C2","3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER","C16 H23 N3 O6 S","O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2;CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)OC(C)(C)C;CC(C)(C)OC(=O)N1Cc2cc(ccc2CC1C(=O)NC)NS(=O)(=O)O","InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1","","2005-12-02","2011-06-04","[(3S)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid",""],["P7K","(3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","C20 H16 O5","COc1cccc2C(=O)c3c(ccc4C[C](C)(O)CC(=O)c34)C(=O)c12;CC1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O","InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1","","2020-04-16","2020-09-11","(3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","2020-09-16"],["1C3","1-(3,4,5-trimethoxybenzyl)-L-proline","C15 H21 N O5","O=C(O)C2N(Cc1cc(OC)c(OC)c(OC)c1)CCC2;COc1cc(CN2CCC[CH]2C(O)=O)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CN2CCCC2C(=O)O","InChI=1S/C15H21NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-16-6-4-5-11(16)15(17)18/h7-8,11H,4-6,9H2,1-3H3,(H,17,18)/t11-/m0/s1","","2012-11-30","2024-09-27","1-(3,4,5-trimethoxybenzyl)-L-proline","2013-04-03"],["P7L","N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide","C23 H19 Cl N2 O2 S","Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(OC)cc2)sc1;COc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4ccccc34;COc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4","InChI=1S/C23H19ClN2O2S/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3","","2022-05-25","2023-08-25","N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide","2023-08-30"],["1C4","(2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)","C28 H45 N8 O21 P3 S","O=C(O)C(NC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCC(=O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)N[CH](CCC(O)=O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)NC(CCC(=O)O)C(=O)O)O","InChI=1S/C28H45N8O21P3S/c1-28(2,22(42)25(43)31-6-5-16(37)30-7-8-61-10-17(38)35-14(27(44)45)3-4-18(39)40)11-54-60(51,52)57-59(49,50)53-9-15-21(56-58(46,47)48)20(41)26(55-15)36-13-34-19-23(29)32-12-33-24(19)36/h12-15,20-22,26,41-42H,3-11H2,1-2H3,(H,30,37)(H,31,43)(H,35,38)(H,39,40)(H,44,45)(H,49,50)(H,51,52)(H2,29,32,33)(H2,46,47,48)/t14-,15+,20+,21+,22-,26+/m0/s1","","2012-11-30","2013-01-04","(2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)","2013-01-04"],["1C5","[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE","C26 H39 N4 O10 P","O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)N)CCC2CCCCC2)CCC(=O)O;CC(=O)N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CCC2CCCCC2)C(N)=O;CC(=O)NC(Cc1ccc(cc1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC2CCCCC2)C(=O)N","InChI=1S/C26H39N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)(H2,37,38,39)/t20-,21+,22+/m1/s1","","1999-07-08","2011-06-04","N-acetyl-O-phosphono-L-tyrosyl-N-[(1R)-1-carbamoyl-3-cyclohexylpropyl]-L-alpha-glutamine",""],["P7M","N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide","C11 H6 Br Cl2 N O3 S2","c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O;Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2;c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br","InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)","Tasisulam","2019-08-05","2021-03-01","N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide","2019-11-13"],["P7N","~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide","C22 H22 F3 N7 O3 S","CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)[S](C)(=O)=O;CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C","InChI=1S/C22H22F3N7O3S/c1-32(36(2,34)35)20-14(4-3-9-26-20)11-27-19-16(22(23,24)25)12-28-21(31-19)29-15-6-7-17-13(10-15)5-8-18(33)30-17/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,30,33)(H2,27,28,29,31)","","2020-04-16","2021-02-05","~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide","2021-02-10"],["1C6","6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole","C17 H19 N3 O2 S","n2c1ccc(OC)cc1nc2SCc3ncc(c(OC)c3C)C;COc1ccc2nc([nH]c2c1)SCc3ncc(C)c(OC)c3C;Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC","InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)","omeprazole; prilosec","2013-04-29","2020-05-26","6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole","2013-07-10"],["P7Q","(3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","C20 H16 O6","COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O)c3C(=O)c12;CC1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O","InChI=1S/C20H16O6/c1-20(25)7-9-6-11(21)16-17(14(9)12(22)8-20)18(23)10-4-3-5-13(26-2)15(10)19(16)24/h3-6,21,25H,7-8H2,1-2H3/t20-/m1/s1","","2020-04-16","2020-09-11","(3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","2020-09-16"],["1C7","(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one","C23 H26 N6 O","O=C1N(c3cnc(nc3N(C1CC)C2CCCC2)n5ccnc5c4ccccc4)C;CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5ccccc5;CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C","InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1","","2012-12-03","2013-11-15","(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one","2013-11-20"],["P7R","(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C17 H15 Cl N4 O3","CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21;CN1C(=O)Nc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c12;CN1c2c(cncc2NC(=O)C3CCOc4c3cc(cc4)Cl)NC1=O","InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["1C8","(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one","C20 H23 N7 O S","O=C5N(c1c(nc(nc1)n2ccnc2c3ncsc3)N(C4CCCC4)C5CC)C;CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5cscn5;CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C","InChI=1S/C20H23N7OS/c1-3-15-19(28)25(2)16-10-22-20(24-18(16)27(15)13-6-4-5-7-13)26-9-8-21-17(26)14-11-29-12-23-14/h8-13,15H,3-7H2,1-2H3/t15-/m1/s1","","2012-12-03","2013-08-09","(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one","2013-08-14"],["1C9","(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide","C24 H25 Cl F N5 O2","Fc1ccc(cc1Cl)Nc4ncnc2c4cc(c(OC)c2)NC(=O)/C=C/CN3CCCCC3;COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN4CCCCC4;COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F","InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+","Dacomitinib","2012-12-03","2024-09-27","(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide","2013-01-11"],["P7S","N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide","C22 H29 Cl N4 O6","C2CN(C(C(C(C)(C)C)NC(c1ccc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O)C2;CC(C)(C)[CH](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N2CCC[CH]2C(=O)N[CH](CC(O)=O)C=O;CC(C)(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N","InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1","","2019-08-06","2020-07-31","N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide","2020-08-05"],["P7T","4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde","C13 H17 N O4 S","C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O)cc2;CC1CN(CC(O1)C)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+","","2020-04-16","2024-09-27","4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde","2020-09-23"],["1CA","DESOXYCORTICOSTERONE","C21 H30 O3","O=C4C=C2C(C1CCC3(C(C(=O)CO)CCC3C1CC2)C)(C)CC4;C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO;CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C","InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1","4-PREGNEN-21-OL-3,20-DIONE; DOC; 21-HYDROXYPROGESTERONE","2005-01-11","2020-06-17","(14beta)-21-hydroxypregn-4-ene-3,20-dione",""],["P7U","{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile","C35 H37 Cl F N7 O5","CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2CCC1;C[CH](O)C(O)(O)C(=O)N1CCN(C[CH]1CC#N)c2nc(OCC34CCCN3CCC4)nc5c(F)c(ncc25)c6cccc7cccc(Cl)c67;CC(C(C(=O)N1CCN(CC1CC#N)c2c3cnc(c(c3nc(n2)OCC45CCCN4CCC5)F)c6cccc7c6c(ccc7)Cl)(O)O)O","InChI=1S/C35H37ClFN7O5/c1-21(45)35(47,48)32(46)44-17-16-42(19-23(44)10-13-38)31-25-18-39-29(24-8-2-6-22-7-3-9-26(36)27(22)24)28(37)30(25)40-33(41-31)49-20-34-11-4-14-43(34)15-5-12-34/h2-3,6-9,18,21,23,45,47-48H,4-5,10-12,14-17,19-20H2,1H3/t21-,23-/m0/s1","","2022-05-25","2024-09-27","{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile","2022-08-31"],["1CB","CYCLOPENTANAMINE","C5 H11 N","NC1CCCC1;NC1CCCC1;C1CCC(C1)N","InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2","","2005-09-06","2011-06-04","cyclopentanamine",""],["P7V","2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide","C10 H7 Br N2 O3","C(c2coc(c1ccc(Br)cc1)n2)(NO)=O;ONC(=O)c1coc(n1)c2ccc(Br)cc2;c1cc(ccc1c2nc(co2)C(=O)NO)Br","InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)","","2019-08-06","2020-01-31","2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide","2020-02-05"],["1CC","5-carboxy-2'-deoxycytidine monophosphate","C10 H14 N3 O9 P","O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1C(O)=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O","InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1","","2011-11-17","2024-04-29","5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate)",""],["P7W","pentane-1,3,5-tricarboxylic acid","C8 H12 O6","OC(=O)CCC(CCC(O)=O)C(O)=O;C(CC(=O)O)C(CCC(=O)O)C(=O)O","InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)","","2022-10-03","2023-05-26","pentane-1,3,5-tricarboxylic acid","2023-05-31"],["1CD","(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25\n),18,20-HEPTAENE-23,26-DIONE","C22 H21 N5 O3","O=C5Nc3cccc4OC6CN(CCN2Nc1c(cccc1C2=O)C5=Nc34)C(C)C6;C[CH]1C[CH]2CN1CCN3Nc4c(cccc4C5=Nc6c(NC5=O)cccc6O2)C3=O;CC1CC2CN1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O","InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1","5H,10H-17,19-(IMINOMETHANO)-4,6:9,12-DIMETHANODIBENZ[B,F][1,4,8,9,12]OXATETRAAZACYCLOPENTADECINE-20,23-DIONE,7,8,11,12-\nTETRAHYDRO-10-METHYL-,(10R,12S)","2006-06-21","2020-06-17","(13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.1~6,9~.1~12,15~.0~2,7~.0~21,25~]heptacosa-1(24),2,4,6,17(25),18,20-heptaene-23,27-dione (non-preferred name)",""],["P7Y","2-[(E)-2-nitroethenyl]phenol","C8 H7 N O3","[O-][N+](=O)/C=C/c1ccccc1O;Oc1ccccc1C=C[N+]([O-])=O;c1ccc(c(c1)C=C[N+](=O)[O-])O","InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+","(E)-1-(2'-hydroxyphenyl)-2-nitroethene","2010-10-14","2021-03-01","2-[(E)-2-nitroethenyl]phenol",""],["1CE","3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one","C12 H12 N6 O S","O=C1c3c4c(sc3N=CN1Cc2nnnn2)CCCC4;O=C1N(Cc2[nH]nnn2)C=Nc3sc4CCCCc4c13;C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1","InChI=1S/C12H12N6OS/c19-12-10-7-3-1-2-4-8(7)20-11(10)13-6-18(12)5-9-14-16-17-15-9/h6H,1-5H2,(H,14,15,16,17)","","2009-02-03","2011-06-04","3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one",""],["P7Z","Ortho-Carborane di-propyl-sulfonamide","C8 H16 B10 N2 O4 S2","N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18(CCC[S](N)(=O)=O)[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N","InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-8(4-2-6-26(20,23)24)9(7)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,21,22)(H2,20,23,24)","","2020-04-16","2020-08-14","","2020-08-19"],["1CF","2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside","C8 H16 O6","O(CCO)C1OC(C(O)C(O)C1O)C;C[CH]1O[CH](OCCO)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCCO)O)O)O","InChI=1S/C8H16O6/c1-4-5(10)6(11)7(12)8(14-4)13-3-2-9/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1","2-hydroxyethyl 6-deoxy-beta-L-galactoside; 2-hydroxyethyl 6-deoxy-L-galactoside; 2-hydroxyethyl 6-deoxy-galactoside","2012-12-04","2020-07-17","2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside","2014-01-29"],["P80","3-[(E)-2-nitroethenyl]phenol","C8 H7 N O3","[O-][N+](=O)/C=C/c1cc(O)ccc1;Oc1cccc(C=C[N+]([O-])=O)c1;c1cc(cc(c1)O)C=C[N+](=O)[O-]","InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+","(E)-1-(3'-hydroxyphenyl)-2-nitroethene","2010-10-14","2020-06-17","3-[(E)-2-nitroethenyl]phenol",""],["1CG","[(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid","C23 H18 F N3 O6 S","O=C(O)C(=O)Nc1ccc(cc1)CC(c2nc3ccccc3o2)S(=O)(=O)Nc4ccc(F)cc4;OC(=O)C(=O)Nc1ccc(C[CH](c2oc3ccccc3n2)[S](=O)(=O)Nc4ccc(F)cc4)cc1;c1ccc2c(c1)nc(o2)C(Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F","InChI=1S/C23H18FN3O6S/c24-15-7-11-17(12-8-15)27-34(31,32)20(22-26-18-3-1-2-4-19(18)33-22)13-14-5-9-16(10-6-14)25-21(28)23(29)30/h1-12,20,27H,13H2,(H,25,28)(H,29,30)/t20-/m0/s1","","2012-12-05","2012-12-21","[(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid","2012-12-21"],["1CH","N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine","C20 H22 N2 O2","O=C(O)C(NC1=NC(Cc2ccccc12)(C)C)Cc3ccccc3;CC1(C)Cc2ccccc2C(=N1)N[CH](Cc3ccccc3)C(O)=O;CC1(Cc2ccccc2C(=N1)NC(Cc3ccccc3)C(=O)O)C","InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)/t17-/m0/s1","","2012-12-06","2013-03-01","N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine","2013-03-06"],["P81","4-[(E)-2-nitroethenyl]phenol","C8 H7 N O3","[O-][N+](=O)/C=C/c1ccc(O)cc1;Oc1ccc(cc1)C=C[N+]([O-])=O;c1cc(ccc1C=C[N+](=O)[O-])O","InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+","(E)-1-(4'-hydroxyphenyl)-2-nitroethene","2010-10-14","2020-06-17","4-[(E)-2-nitroethenyl]phenol",""],["P82","Para-Carborane di-propyl-sulfonamide","C8 H16 B10 N2 O4 S2","N[S](=O)(=O)CCC[C]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15[C]%16%17%18%19CCC[S](N)(=O)=O;B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N","InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-10(7)12(7)13(7)11(7,9)15(9)8(4-2-6-26(20,23)24)14(9,10,15)16(8,10,12)18(8,12,13)17(8,11,13)15/h1-6H2,(H2,19,21,22)(H2,20,23,24)","","2020-04-16","2020-08-14","","2020-08-19"],["1CI","1-(4-CHLOROPHENYL)-1H-IMIDAZOLE","C9 H7 Cl N2","Clc1ccc(cc1)n2ccnc2;Clc1ccc(cc1)n2ccnc2;c1cc(ccc1n2ccnc2)Cl","InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H","","2007-06-15","2011-06-04","1-(4-chlorophenyl)-1H-imidazole",""],["P83","1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine","C16 H18 N2","c1cccc3c1c2c(ccc(c2)CNC)n3CC;CCn1c2ccccc2c3cc(CNC)ccc13;CCn1c2ccccc2c3c1ccc(c3)CNC","InChI=1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3","","2008-05-26","2011-06-04","1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine",""],["1CJ","(R)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol","C10 H12 N2 O2","n1cc(c2ccccn12)C(O)OCC;CCO[CH](O)c1cnn2ccccc12;CCOC(c1cnn2c1cccc2)O","InChI=1S/C10H12N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7,10,13H,2H2,1H3/t10-/m1/s1","","2012-12-06","2013-02-01","(R)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol","2013-02-01"],["1CK","4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide","C11 H10 Br N3 O","O=C(Nc1nnc(c1)C)c2ccc(Br)cc2;Cc1[nH]nc(NC(=O)c2ccc(Br)cc2)c1;Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br","InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)","","2011-04-05","2013-04-26","4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide","2013-05-01"],["P84","2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL","C14 H20 I2 N2 O","Ic1cc(c(O)c(I)c1)CN(C)C2CCN(C)CC2;CN1CCC(CC1)N(C)Cc2cc(I)cc(I)c2O;CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I","InChI=1S/C14H20I2N2O/c1-17-5-3-12(4-6-17)18(2)9-10-7-11(15)8-13(16)14(10)19/h7-8,12,19H,3-6,9H2,1-2H3","","2012-01-30","2014-09-05","2,4-diiodo-6-{[methyl(1-methylpiperidin-4-yl)amino]methyl}phenol",""],["1CL","FE(8)-S(7) CLUSTER, OXIDIZED","Fe8 S7","[Fe]|1|2S|3[Fe]S|1[Fe]S|2[Fe]|3[S]45[Fe]|6S|7[Fe]|8S|6[Fe]4S|8[Fe]5|7;[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58","InChI=1S/8Fe.7S","","2011-11-22","2011-12-02","",""],["P85","N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide","C25 H27 F N2 O","Fc1ccc(cc1)CNC(=O)C4CCN(C(c3c2ccccc2ccc3)C)CC4;C[CH](N1CC[CH](CC1)C(=O)NCc2ccc(F)cc2)c3cccc4ccccc34;CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F","InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1","","2014-01-29","2014-09-05","N-(4-fluorobenzyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide","2014-04-23"],["P86","2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL","C16 H24 I2 N2 O","Ic1cc(c(O)c(I)c1)CN2CCC(N(CC)CC)CC2;CCN(CC)C1CCN(CC1)Cc2cc(I)cc(I)c2O;CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I","InChI=1S/C16H24I2N2O/c1-3-20(4-2)14-5-7-19(8-6-14)11-12-9-13(17)10-15(18)16(12)21/h9-10,14,21H,3-8,11H2,1-2H3","","2012-01-30","2014-09-05","2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol",""],["1CM","(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE","C15 H16 N2 O","O=C(Nc1ccncc1)C(c2ccccc2)CC;CC[CH](C(=O)Nc1ccncc1)c2ccccc2;CCC(c1ccccc1)C(=O)Nc2ccncc2","InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/t14-/m1/s1","","2006-03-16","2011-06-04","(2R)-2-phenyl-N-pyridin-4-ylbutanamide",""],["P87","3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one","C11 H19 N O2","O=C(N1CCCC1)CCC2CCOC2;O=C(CC[CH]1CCOC1)N2CCCC2;C1CCN(C1)C(=O)CCC2CCOC2","InChI=1S/C11H19NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h10H,1-9H2/t10-/m0/s1","","2016-03-30","2017-03-31","3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one","2017-04-05"],["1CN","5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE","C8 H7 Cl F N5 O4 S3","O=S(=O)(c1nnc(s1)NS(=O)(=O)c2cc(F)c(N)c(Cl)c2)N;Nc1c(F)cc(cc1Cl)[S](=O)(=O)Nc2sc(nn2)[S](N)(=O)=O;c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)","","2006-07-19","2011-06-04","5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide",""],["1CO","(3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid","C6 H12 O3 S","O=C(O)CC(O)(C)CCS;C[C](O)(CCS)CC(O)=O;CC(CCS)(CC(=O)O)O","InChI=1S/C6H12O3S/c1-6(9,2-3-10)4-5(7)8/h9-10H,2-4H2,1H3,(H,7,8)/t6-/m1/s1","","2012-12-07","2013-07-12","(3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid","2013-07-17"],["P88","7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid","C31 H28 N2 O4","O=C(O)c2ncc1cc(ccc1c2)c5ccc(OCc4c(onc4c3c(cccc3C)C)C(C)C)cc5;CC(C)c1onc(c1COc2ccc(cc2)c3ccc4cc(ncc4c3)C(O)=O)c5c(C)cccc5C;Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C","InChI=1S/C31H28N2O4/c1-18(2)30-26(29(33-37-30)28-19(3)6-5-7-20(28)4)17-36-25-12-10-21(11-13-25)22-8-9-23-15-27(31(34)35)32-16-24(23)14-22/h5-16,18H,17H2,1-4H3,(H,34,35)","","2010-10-18","2011-08-26","7-(4-{[3-(2,6-dimethylphenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid",""],["1CP","COPROPORPHYRINOGEN I","C36 H44 N4 O8","O=C(O)CCc1c(c5nc1Cc2c(c(c(n2)Cc3nc(c(c3C)CCC(=O)O)Cc4nc(c(c4C)CCC(=O)O)C5)CCC(=O)O)C)C;Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC(O)=O)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(C)c3CCC(O)=O;Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C","InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)","","2003-10-14","2014-03-04","3,3',3'',3'''-(3,8,13,18-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl)tetrapropanoic acid",""],["P89","[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate","C19 H31 N2 O6 P","CCCCCCCCCC(=O)CN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O;CCCCCCCCCC(=O)CN=Cc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C19H31N2O6P/c1-3-4-5-6-7-8-9-10-17(22)12-20-13-18-16(14-27-28(24,25)26)11-21-15(2)19(18)23/h11,13,23H,3-10,12,14H2,1-2H3,(H2,24,25,26)/b20-13+","","2009-06-08","2018-09-26","[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate",""],["P8A","5-butyl-1~{H}-pyrazole-3-carboxylic acid","C8 H12 N2 O2","CCCCc1[nH]nc(c1)C(O)=O;CCCCc1cc(n[nH]1)C(=O)O","InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)","","2023-03-04","2023-08-25","5-butyl-1~{H}-pyrazole-3-carboxylic acid","2023-08-30"],["1CQ","4,4'-{3-[(4-hydroxyphenyl)amino]-1H-pyrazole-4,5-diyl}diphenol","C21 H17 N3 O3","Oc4ccc(c1c(c(nn1)Nc2ccc(O)cc2)c3ccc(O)cc3)cc4;Oc1ccc(Nc2n[nH]c(c3ccc(O)cc3)c2c4ccc(O)cc4)cc1;c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O","InChI=1S/C21H17N3O3/c25-16-7-1-13(2-8-16)19-20(14-3-9-17(26)10-4-14)23-24-21(19)22-15-5-11-18(27)12-6-15/h1-12,25-27H,(H2,22,23,24)","","2013-05-30","2013-06-28","4,4'-{3-[(4-hydroxyphenyl)amino]-1H-pyrazole-4,5-diyl}diphenol","2013-07-03"],["P8B","Para-Carborane propyl-sulfonamide","C5 H8 B10 N O2 S","N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%13%14%15[B]%16%17%18[B]8%19([B]169[B]2%16%19[B]3%13%17[B]47%11%14)[C]%10%12%15%18;B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N","InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-11-6-4-7(6,11)9(4)10(4)8(4,6)12(5,6,11)14(5,8,10)15(5,9,10)13(5,7,9)11/h1-3H2,(H2,16,17,18)","","2020-04-16","2020-08-14","","2020-08-19"],["1CR","PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A","C74 H74 N10 O18 S","O=C(O)CCn1nnc(c1)COc%14cc%13c%12cc%14OCCOc2c(OC)cc6c(c2)Cc7cc(OC)c8OCCOc4cc(c(cc4OCc3nnn(c3)CCC(=O)O)Cc%11cc(OCCOc5c(OC)cc(c(c5)C6)Cc7c8)c(OCc9nnn(c9)CCc%10ccc(cc%10)S(=O)(=O)N)cc%11C%12)C%13;COc1cc2Cc3cc4OCCOc5cc6Cc7cc(OCc8cn(CCc9ccc(cc9)[S](N)(=O)=O)nn8)c%10OCCOc%11cc(Cc3cc4OC)c(Cc2cc1OCCOc%12cc(Cc6cc5OCc%13cn(CCC(O)=O)nn%13)c(Cc7c%10)cc%12OCc%14cn(CCC(O)=O)nn%14)cc%11OC;COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O","InChI=1S/C74H74N10O18S/c1-91-61-26-45-21-49-30-66-63(93-3)28-47(49)22-50-31-65-62(92-2)27-46(50)20-48(45)29-64(61)94-14-17-97-67-32-51-24-55-36-71(101-42-58-39-83(80-77-58)12-9-73(85)86)69(99-19-16-96-66)34-53(55)25-56-37-72(102-43-59-40-84(81-78-59)13-10-74(87)88)68(98-18-15-95-65)33-52(56)23-54(51)35-70(67)100-41-57-38-82(79-76-57)11-8-44-4-6-60(7-5-44)103(75,89)90/h4-7,26-40H,8-25,41-43H2,1-3H3,(H,85,86)(H,87,88)(H2,75,89,90)","3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid","2008-05-12","2021-03-13","3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid (non-preferred name)",""],["P8C","[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C24 H40 F2 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCC(CC3)(F)F","InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22+/m0/s1","","2022-05-26","2024-09-27","[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-06-22"],["1CS","1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA","C12 H12 Cl N5 O4 S","Clc1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C;COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2Cl)n1;Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl","InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)","","2004-07-01","2011-06-04","2-chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide",""],["P8D","phosphinate pseudodipeptide L-Ala-D-Asp","C7 H14 N O6 P","O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O;C[CH](N)[P](O)(=O)C[CH](CC(O)=O)C(O)=O;CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O","InChI=1S/C7H14NO6P/c1-4(8)15(13,14)3-5(7(11)12)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5+/m1/s1","(2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid","2009-10-23","2020-06-17","(2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid",""],["1CT","[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid","C15 H13 F3 N O5 P","FC(F)(F)c1ccccc1NC(=O)COc2ccccc2P(=O)(O)O;O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2C(F)(F)F;c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O","InChI=1S/C15H13F3NO5P/c16-15(17,18)10-5-1-2-6-11(10)19-14(20)9-24-12-7-3-4-8-13(12)25(21,22)23/h1-8H,9H2,(H,19,20)(H2,21,22,23)","","2011-07-29","2012-12-21","[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid","2012-12-21"],["P8E","5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid","C9 H18 N2 O6","CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N;C[CH](O)[CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O;CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O","InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1","Pse5Ac7Ac","2020-06-01","2026-02-16","5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid","2020-07-08"],["1CU","COPPER ION, 1 WATER COORDINATED","Cu H2 O","O|[Cu++];[OH2][Cu+2]","InChI=1/Cu.H2O/h;1H2/q+2;/rCuH2O/c1-2/h2H2/q+2","","1999-07-08","2008-10-14","",""],["P8F","Pentacycline","C29 H30 F N3 O7","CN(C)[CH]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O;CN(C)C1C2CC3Cc4cc5ccc(cc5c(c4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F","InChI=1S/C29H30FN3O7/c1-32(2)22-18-8-15-7-14-6-13-4-3-12(9-33-10-16(30)11-33)5-17(13)23(34)19(14)24(35)20(15)26(37)29(18,40)27(38)21(25(22)36)28(31)39/h3-6,15-16,18,22,34,36-37,40H,7-11H2,1-2H3,(H2,31,39)/t15-,18-,22-,29-/m0/s1","(4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide; Pentacycline TP-038","2023-02-09","2023-07-25","(4~{S},4~{a}~{S},5~{a}~{R},14~{a}~{S})-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14~{a}-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-pentacene-2-carboxamide","2023-07-26"],["1CV","(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide","C27 H46 N7 O19 P3 S2","O=C(O)CC(O)(C)CC(S)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;C[C](O)(C[CH](S)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)CC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CC(C)(CC(=O)O)O)S)O","InChI=1S/C27H46N7O19P3S2/c1-26(2,21(39)24(40)30-5-4-15(35)29-6-7-58-17(57)9-27(3,41)8-16(36)37)11-50-56(47,48)53-55(45,46)49-10-14-20(52-54(42,43)44)19(38)25(51-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,17,19-21,25,38-39,41,57H,4-11H2,1-3H3,(H,29,35)(H,30,40)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t14-,17-,19-,20-,21+,25-,27+/m1/s1","","2012-12-07","2013-07-12","(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide","2013-07-17"],["P8G","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol","C25 H40 N6 O16","CO[CH]1O[CH](CO)[CH](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]3O)[CH]1O;COC1C(C(C(C(O1)CO)O)OCc2cn(nn2)C3C(C(C(C(O3)CO)O)OCc4cn(nn4)C5C(C(C(C(O5)CO)O)O)O)O)O","InChI=1S/C25H40N6O16/c1-42-25-20(41)22(16(37)13(6-34)47-25)44-8-10-3-31(29-27-10)24-19(40)21(15(36)12(5-33)46-24)43-7-9-2-30(28-26-9)23-18(39)17(38)14(35)11(4-32)45-23/h2-3,11-25,32-41H,4-8H2,1H3/t11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-/m1/s1","","2019-08-06","2020-04-24","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol","2020-04-29"],["1CW","3-amino-2-hydroxybenzoic acid","C7 H7 N O3","O=C(O)c1cccc(N)c1O;Nc1cccc(C(O)=O)c1O;c1cc(c(c(c1)N)O)C(=O)O","InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)","","2012-12-07","2013-12-06","3-amino-2-hydroxybenzoic acid","2013-12-11"],["1CX","(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide","C15 H12 F3 I N2 O3","Ic2ccc(N=C1C(=CC=C(F)C1F)C(=O)NOCCO)c(F)c2;OCCONC(=O)C1=CC=C(F)[CH](F)C1=Nc2ccc(I)cc2F;c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F","InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,13,22H,5-6H2,(H,21,23)/b20-14-/t13-/m1/s1","","2008-07-28","2011-06-04","(5S,6Z)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide",""],["P8H","3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine","C15 H20 Br N3 O","Brc1cc(cnc1)C(=O)N3CCC(N2CCCC2)CC3;Brc1cncc(c1)C(=O)N2CCC(CC2)N3CCCC3;c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3","InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2","","2010-10-22","2011-06-04","(5-bromopyridin-3-yl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone",""],["P8J","methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside","C16 H27 N3 O11","c2c(COC1C(C(OC)OC(CO)C1O)O)nnn2C3C(C(C(C(CO)O3)O)O)O;CO[CH]1O[CH](CO)[CH](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O;COC1C(C(C(C(O1)CO)O)OCc2cn(nn2)C3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C16H27N3O11/c1-27-16-13(26)14(10(23)8(4-21)30-16)28-5-6-2-19(18-17-6)15-12(25)11(24)9(22)7(3-20)29-15/h2,7-16,20-26H,3-5H2,1H3/t7-,8-,9+,10+,11+,12-,13-,14+,15-,16-/m1/s1","","2019-08-06","2020-04-24","methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside","2020-04-29"],["1CY","1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine","C11 H14 Cl N5","Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N;CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2;CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C","InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)","Cycloguanil","2009-08-25","2021-03-01","1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine",""],["P8K","hexyl(octoxy)phosphinic acid","C14 H31 O3 P","CCCCCCCCO[P](O)(=O)CCCCCC;CCCCCCCCOP(=O)(CCCCCC)O","InChI=1S/C14H31O3P/c1-3-5-7-9-10-11-13-17-18(15,16)14-12-8-6-4-2/h3-14H2,1-2H3,(H,15,16)","","2020-04-17","2024-09-27","hexyl(octoxy)phosphinic acid","2022-07-06"],["1CZ"," (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide","C27 H44 N7 O19 P3 S2","O=C(O)CC(O)(C)CC(=S)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;C[C](O)(CC(O)=O)CC(=S)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=S)CC(C)(CC(=O)O)O)O","InChI=1S/C27H44N7O19P3S2/c1-26(2,21(39)24(40)30-5-4-15(35)29-6-7-58-17(57)9-27(3,41)8-16(36)37)11-50-56(47,48)53-55(45,46)49-10-14-20(52-54(42,43)44)19(38)25(51-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,38-39,41H,4-11H2,1-3H3,(H,29,35)(H,30,40)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t14-,19-,20-,21+,25-,27+/m1/s1","","2012-12-07","2013-07-12","(3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)","2013-07-17"],["P8L","[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C24 H42 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCCCC3","InChI=1S/C24H40N3O8S/c1-14(2)10-19(27-24(31)35-13-17-11-18(17)15-6-4-3-5-7-15)22(29)26-20(23(30)36(32,33)34)12-16-8-9-25-21(16)28/h14-20,23,30H,3-13H2,1-2H3,(H3-2,25,26,27,28,29,31,32,33,34)/q-1/p+2/t16-,17+,18+,19-,20-,23+/m0/s1","","2022-05-26","2024-09-27","[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-06-22"],["1D0","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid","C17 H20 N3 O8 P","O=C(O)/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CNc2ccccc2O;Cc1ncc(CO[P](O)(O)=O)c(CN=C(CNc2ccccc2O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CNc2ccccc2O)C(=O)O)O","InChI=1S/C17H20N3O8P/c1-10-16(22)12(11(6-18-10)9-28-29(25,26)27)7-19-14(17(23)24)8-20-13-4-2-3-5-15(13)21/h2-6,20-22H,7-9H2,1H3,(H,23,24)(H2,25,26,27)/b19-14+","","2012-12-10","2013-12-20","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid","2013-12-25"],["1D1","(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one","C18 H23 N5 O","O=C1N(c3cnc(nc3N(C1CC)C2CCCC2)c4cccn4)C;CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)c4[nH]ccc4;CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C","InChI=1S/C18H23N5O/c1-3-14-18(24)22(2)15-11-20-16(13-9-6-10-19-13)21-17(15)23(14)12-7-4-5-8-12/h6,9-12,14,19H,3-5,7-8H2,1-2H3/t14-/m1/s1","","2012-12-10","2013-12-20","(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one","2013-12-25"],["P8M","2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","C31 H28 F2 N4 O4 S2","C(c2c(Cc1cc(c(S(N)(=O)=O)cc1)F)c(nn2c3scc(n3)C(O)=O)c4ccc(c(c4)C#CC5CCCC5)F)C6CC6;N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c4ccc(F)c(c4)C#CC5CCCC5)c6scc(n6)C(O)=O)cc1F;c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N","InChI=1S/C31H28F2N4O4S2/c32-24-11-10-22(16-21(24)9-7-18-3-1-2-4-18)29-23(13-20-8-12-28(25(33)14-20)43(34,40)41)27(15-19-5-6-19)37(36-29)31-35-26(17-42-31)30(38)39/h8,10-12,14,16-19H,1-6,13,15H2,(H,38,39)(H2,34,40,41)","","2019-08-06","2020-09-18","2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid","2020-09-23"],["P8N","(~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6\n),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide","C29 H27 Cl N6 O3 S","Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)C=CC(=O)NO)c5ccc(cc5)Cl)C","InChI=1S/C29H27ClN6O3S/c1-16-17(2)40-29-26(16)27(21-9-11-22(30)12-10-21)32-23(28-34-33-18(3)36(28)29)14-25(38)31-15-20-6-4-19(5-7-20)8-13-24(37)35-39/h4-13,23,39H,14-15H2,1-3H3,(H,31,38)(H,35,37)/b13-8+/t23-/m0/s1","TW22","2020-04-17","2020-06-17","(~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide","2020-05-27"],["1D2","CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE","C20 H39 N O3","O(C1CCCCCCCCCCC1)C2OC(CC(N(C)C)C2O)C;C[CH]1C[CH]([CH](O)[CH](O1)OC2CCCCCCCCCCC2)N(C)C;CC1CC(C(C(O1)OC2CCCCCCCCCCC2)O)N(C)C","InChI=1S/C20H39NO3/c1-16-15-18(21(2)3)19(22)20(23-16)24-17-13-11-9-7-5-4-6-8-10-12-14-17/h16-20,22H,4-15H2,1-3H3/t16-,18+,19-,20+/m1/s1","","2009-05-08","2011-06-04","cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",""],["P8O","(1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine","C24 H22 F3 N7 S","N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F)F)cnc5n4;c1ccc2c(c1)CC3(C2N)CCN(CC3)c4[nH]c5c(n4)ncc(n5)Sc6cccnc6C(F)(F)F","InChI=1S/C24H22F3N7S/c25-24(26,27)19-16(6-3-9-29-19)35-17-13-30-20-21(31-17)33-22(32-20)34-10-7-23(8-11-34)12-14-4-1-2-5-15(14)18(23)28/h1-6,9,13,18H,7-8,10-12,28H2,(H,30,31,32,33)/t18-/m1/s1","","2022-10-03","2023-01-13","(1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine","2023-01-18"],["1D4","CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE","C21 H41 N O3","O(C1CCCCCCCCCCCC1)C2OC(CC(N(C)C)C2O)C;C[CH]1C[CH]([CH](O)[CH](O1)OC2CCCCCCCCCCCC2)N(C)C;CC1CC(C(C(O1)OC2CCCCCCCCCCCC2)O)N(C)C","InChI=1S/C21H41NO3/c1-17-16-19(22(2)3)20(23)21(24-17)25-18-14-12-10-8-6-4-5-7-9-11-13-15-18/h17-21,23H,4-16H2,1-3H3/t17-,19+,20-,21+/m1/s1","","2009-05-07","2011-06-04","cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",""],["P8P","(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate","C19 H38 O11 P2","O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC","InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1","dioctanoylglycerol pyrophosphate","2011-07-06","2021-03-01","(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate",""],["1D5","(4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid","C21 H13 Br Cl N O5 S2","O=C(C2=C(O)C(=O)N(c1ccc(cc1)CC(=O)O)C2c3scc(Br)c3)c4sc(Cl)cc4;OC(=O)Cc1ccc(cc1)N2[CH](c3scc(Br)c3)C(=C(O)C2=O)C(=O)c4sc(Cl)cc4;c1cc(ccc1CC(=O)O)N2C(C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br","InChI=1S/C21H13BrClNO5S2/c22-11-8-14(30-9-11)18-17(19(27)13-5-6-15(23)31-13)20(28)21(29)24(18)12-3-1-10(2-4-12)7-16(25)26/h1-6,8-9,18,28H,7H2,(H,25,26)/t18-/m0/s1","","2012-12-11","2014-03-14","(4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid","2014-03-19"],["1D6","{4-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid","C27 H20 Cl N O7","O=C(O)Cc1ccc(cc1)N5C(=O)C(O)=C(C(=O)c2cccc(c2)C)C5c3cc4OCOc4c(Cl)c3;Cc1cccc(c1)C(=O)C2=C(O)C(=O)N([CH]2c3cc(Cl)c4OCOc4c3)c5ccc(CC(O)=O)cc5;Cc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O","InChI=1S/C27H20ClNO7/c1-14-3-2-4-16(9-14)24(32)22-23(17-11-19(28)26-20(12-17)35-13-36-26)29(27(34)25(22)33)18-7-5-15(6-8-18)10-21(30)31/h2-9,11-12,23,33H,10,13H2,1H3,(H,30,31)/t23-/m0/s1","","2012-12-11","2014-03-14","{4-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid","2014-03-19"],["P8Q","(S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide","C33 H36 Cl N7 O4 S","Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C","InChI=1S/C33H36ClN7O4S/c1-19-20(2)46-33-30(19)31(22-10-12-23(34)13-11-22)37-26(32-39-38-21(3)41(32)33)18-29(44)36-25-16-14-24(15-17-25)35-27(42)8-6-4-5-7-9-28(43)40-45/h10-17,26,45H,4-9,18H2,1-3H3,(H,35,42)(H,36,44)(H,40,43)/t26-/m0/s1","TW12","2020-04-17","2021-03-01","~{N}-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]phenyl]-~{N}'-oxidanyl-octanediamide","2020-05-06"],["P8R","1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane","C24 H50 O12","COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC","InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3","","2023-08-24","2024-06-28","1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane","2024-07-03"],["1D8","3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid","C26 H15 Cl F3 N O7","FC(F)(F)c1cccc(c1)C(=O)C5=C(O)C(=O)N(c2cc(C(=O)O)ccc2)C5c3cc4OCOc4c(Cl)c3;OC(=O)c1cccc(c1)N2[CH](c3cc(Cl)c4OCOc4c3)C(=C(O)C2=O)C(=O)c5cccc(c5)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N(C2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O","InChI=1S/C26H15ClF3NO7/c27-17-9-14(10-18-23(17)38-11-37-18)20-19(21(32)12-3-1-5-15(7-12)26(28,29)30)22(33)24(34)31(20)16-6-2-4-13(8-16)25(35)36/h1-10,20,33H,11H2,(H,35,36)/t20-/m0/s1","","2012-12-11","2014-03-14","3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid","2014-03-19"],["P8S","heptadecafluoro-1-octanesulfonic acid","C8 H F17 O3 S","FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)","perfluorooctane sulfonate","2012-03-27","2021-03-01","1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid",""],["1D9","3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid","C26 H15 F6 N O5","FC(F)(F)c1cccc(c1)C(=O)C3=C(O)C(=O)N(c2cccc(C(=O)O)c2)C3c4cccc(c4)C(F)(F)F;OC(=O)c1cccc(c1)N2[CH](c3cccc(c3)C(F)(F)F)C(=C(O)C2=O)C(=O)c4cccc(c4)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F","InChI=1S/C26H15F6NO5/c27-25(28,29)16-7-1-4-13(10-16)20-19(21(34)14-5-2-8-17(11-14)26(30,31)32)22(35)23(36)33(20)18-9-3-6-15(12-18)24(37)38/h1-12,20,35H,(H,37,38)/t20-/m0/s1","","2012-12-11","2014-03-14","3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid","2014-03-19"],["P8T","~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t\nrideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide","C32 H28 Cl N7 O2 S","Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C","InChI=1S/C32H28ClN7O2S/c1-17-18(2)43-32-28(17)29(20-8-12-22(33)13-9-20)36-26(30-39-38-19(3)40(30)32)16-27(41)35-23-14-10-21(11-15-23)31(42)37-25-7-5-4-6-24(25)34/h4-15,26H,16,34H2,1-3H3,(H,35,41)(H,37,42)/t26-/m0/s1","TW9","2020-04-17","2020-06-17","~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide","2020-05-06"],["1DA","1-DEAZA-ADENOSINE","C11 H14 N4 O4","n2c1c(N)ccnc1n(c2)C3OC(C(O)C3O)CO;Nc1ccnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1cnc2c(c1N)ncn2C3C(C(C(O3)CO)O)O","InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1","","1999-10-08","2011-06-04","3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine",""],["P8U","[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C24 H42 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCCCC3","InChI=1S/C24H40N3O8S/c1-14(2)10-19(27-24(31)35-13-17-11-18(17)15-6-4-3-5-7-15)22(29)26-20(23(30)36(32,33)34)12-16-8-9-25-21(16)28/h14-20,23,30H,3-13H2,1-2H3,(H3-2,25,26,27,28,29,31,32,33,34)/q-1/p+2/t16-,17+,18+,19-,20-,23-/m0/s1","","2022-05-26","2024-09-27","[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-06-22"],["1DB","1-DECANE-SULFONIC-ACID","C10 H22 O3 S","O=S(=O)(O)CCCCCCCCCC;CCCCCCCCCC[S](O)(=O)=O;CCCCCCCCCCS(=O)(=O)O","InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)","DECANE-1-SULFONIC ACID","2006-02-23","2021-03-01","decane-1-sulfonic acid",""],["P8V","2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid","C31 H25 F N4 O4 S3","C(c1ccc(C)s1)#Cc2cccc(c2)c3nn(c(c3Cc4cc(c(S(N)(=O)=O)cc4)F)CC5CC5)c6nc(cs6)C(O)=O;Cc1sc(cc1)C#Cc2cccc(c2)c3nn(c4scc(n4)C(O)=O)c(CC5CC5)c3Cc6ccc(c(F)c6)[S](N)(=O)=O;Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N","InChI=1S/C31H25FN4O4S3/c1-18-5-10-23(42-18)11-8-19-3-2-4-22(13-19)29-24(14-21-9-12-28(25(32)15-21)43(33,39)40)27(16-20-6-7-20)36(35-29)31-34-26(17-41-31)30(37)38/h2-5,9-10,12-13,15,17,20H,6-7,14,16H2,1H3,(H,37,38)(H2,33,39,40)","","2019-08-06","2020-09-18","2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid","2020-09-23"],["1DC","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide","C18 H18 N4 O2","O=C(NC(c1ccncc1)C)CCC3=Nc2c(cccc2)C(=O)N3;C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccncc3;CC(c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C18H18N4O2/c1-12(13-8-10-19-11-9-13)20-17(23)7-6-16-21-15-5-3-2-4-14(15)18(24)22-16/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1","","2013-06-17","2014-02-14","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide","2014-02-19"],["P8W","2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one","C19 H19 N3 O","CN1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3;CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3","InChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3","Biphenyl-methylamino-dimethylpyridazinone","2020-04-18","2021-03-19","2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one","2021-03-24"],["1DD","1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole","C14 H11 F N2 O2 S","Fc1ccc(cc1)S(=O)(=O)n2c3ccccc3nc2C;Cc1nc2ccccc2n1[S](=O)(=O)c3ccc(F)cc3;Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F","InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3","","2013-06-20","2014-01-24","1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole","2014-01-29"],["P8X","DESMETHYL-HBA","C44 H58 N4 O14","C[CH]1C2=C(CCC(O)=O)C(C)(C)C(=N2)C=C3N=C(C=C4N[C](C)([CH]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](C)(CC(O)=O)[CH]4CCC(O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O;CC1C2=C(C(C(=N2)C=C3C(C(C(=N3)C=C4C(C(C(N4)(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O","InChI=1S/C44H58N4O14/c1-21-37-24(10-13-32(53)54)40(2,3)28(46-37)17-26-22(8-11-30(49)50)42(5,19-35(59)60)29(45-26)18-27-23(9-12-31(51)52)43(6,20-36(61)62)44(7,48-27)39-25(16-34(57)58)41(4,38(21)47-39)15-14-33(55)56/h17-18,21-23,25,39,48H,8-16,19-20H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b26-17-,27-18-/t21-,22-,23-,25+,39-,41-,42+,43+,44+/m1/s1","","2012-05-15","2012-09-14","3-[(1R,2S,3S,4Z,7S,8S,9Z,15R,17R,18R,19R)-2,7,18-tris(2-hydroxy-2-oxoethyl)-8,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-3,8,15,18,19,21-hexahydrocorrin-3-yl]propanoic acid","2012-09-14"],["1DE","3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid","C23 H13 Cl2 N O7 S","O=C(C2=C(O)C(=O)N(c1cc(C(=O)O)ccc1)C2c4cc3OCOc3c(Cl)c4)c5sc(Cl)cc5;OC(=O)c1cccc(c1)N2[CH](c3cc(Cl)c4OCOc4c3)C(=C(O)C2=O)C(=O)c5sc(Cl)cc5;c1cc(cc(c1)N2C(C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O","InChI=1S/C23H13Cl2NO7S/c24-13-7-11(8-14-21(13)33-9-32-14)18-17(19(27)15-4-5-16(25)34-15)20(28)22(29)26(18)12-3-1-2-10(6-12)23(30)31/h1-8,18,28H,9H2,(H,30,31)/t18-/m0/s1","","2012-12-11","2014-03-14","3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid","2014-03-19"],["1DF","4-hydroxy-3-methoxy-5-nitrobenzoic acid","C8 H7 N O6","[O-][N+](=O)c1cc(cc(OC)c1O)C(=O)O;COc1cc(cc(c1O)[N+]([O-])=O)C(O)=O;COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O","InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)","","2012-12-11","2013-07-09","4-hydroxy-3-methoxy-5-nitrobenzoic acid","2013-01-11"],["P8Y","(2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol","C12 H25 N O5 S","C(CS(CC1NCC(C(C1O)O)O)(=O)=O)CC(C)C;CC(C)CCC[S](=O)(=O)C[CH]1NC[CH](O)[CH](O)[CH]1O;CC(C)CCCS(=O)(=O)CC1C(C(C(CN1)O)O)O","InChI=1S/C12H25NO5S/c1-8(2)4-3-5-19(17,18)7-9-11(15)12(16)10(14)6-13-9/h8-16H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1","","2019-08-06","2020-08-14","(2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol","2020-08-19"],["P8Z","2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one","C18 H25 N5 O","CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3;CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C","InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3","dimethyl-methylpiperazinyl-benzyl-aminopyridazinone","2020-04-18","2021-03-19","2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one","2021-03-24"],["1DG","(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE","C27 H33 N8 O18 P3","NC(=O)C1=CN(C=C[CH]1C(=O)c2ccncc2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1cnccc1C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O","InChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1","","2006-03-20","2011-06-04","[(2R,3S,4R,5R)-5-[(4R)-3-aminocarbonyl-4-pyridin-4-ylcarbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["P90","{4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID","C31 H25 F2 N4 O3 P S","FC(F)(c1ccc(cc1)CC(c2nc3ccccc3s2)(n5nnc4ccccc45)CC=Cc6ccccc6)P(=O)(O)O;O[P](O)(=O)C(F)(F)c1ccc(C[C](CC=Cc2ccccc2)(n3nnc4ccccc34)c5sc6ccccc6n5)cc1;c1ccc(cc1)C=CCC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5","InChI=1S/C31H25F2N4O3PS/c32-31(33,41(38,39)40)24-18-16-23(17-19-24)21-30(20-8-11-22-9-2-1-3-10-22,29-34-26-13-5-7-15-28(26)42-29)37-27-14-6-4-12-25(27)35-36-37/h1-19H,20-21H2,(H2,38,39,40)/b11-8+/t30-/m1/s1","","2003-08-18","2011-06-04","[{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid",""],["1DH","5-chloro-1,3-thiazol-2-amine","C3 H3 Cl N2 S","Clc1sc(nc1)N;Nc1sc(Cl)cn1;c1c(sc(n1)N)Cl","InChI=1S/C3H3ClN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)","","2012-12-11","2013-03-22","5-chloro-1,3-thiazol-2-amine","2013-03-27"],["1DI","(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one","C17 H16 Cl2 N2 O","Clc1ccc(c(Cl)c1)CC(N)C(=O)N3Cc2ccccc2C3;N[CH](Cc1ccc(Cl)cc1Cl)C(=O)N2Cc3ccccc3C2;c1ccc2c(c1)CN(C2)C(=O)C(Cc3ccc(cc3Cl)Cl)N","InChI=1S/C17H16Cl2N2O/c18-14-6-5-11(15(19)8-14)7-16(20)17(22)21-9-12-3-1-2-4-13(12)10-21/h1-6,8,16H,7,9-10,20H2/t16-/m1/s1","","2011-06-16","2011-07-15","(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one",""],["P91","8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide","C20 H15 Br Cl N3 O4","Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(c(c3Br)C(=O)NCCO)C;Cn1c2cc(c3ccccc3Cl)c4C(=O)NC(=O)c4c2c(Br)c1C(=O)NCCO;Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl","InChI=1S/C20H15BrClN3O4/c1-25-12-8-10(9-4-2-3-5-11(9)22)13-15(19(28)24-18(13)27)14(12)16(21)17(25)20(29)23-6-7-26/h2-5,8,26H,6-7H2,1H3,(H,23,29)(H,24,27,28)","","2008-04-10","2011-06-04","8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide",""],["1DJ","(1R)-1-phenylprop-2-yn-1-ol","C9 H8 O","C(#C)C(O)c1ccccc1;O[CH](C#C)c1ccccc1;C#CC(c1ccccc1)O","InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1","","2012-12-11","2013-03-22","(1R)-1-phenylprop-2-yn-1-ol","2013-03-27"],["P92","3~{H}-1,3-benzoxazole-2-thione","C7 H5 N O S","S=C1Nc2ccccc2O1;c1ccc2c(c1)NC(=S)O2","InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)","","2020-04-18","2020-06-26","3~{H}-1,3-benzoxazole-2-thione","2020-07-01"],["P93","N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide","C10 H14 N2 O2","O=C(N1CCCC1)NCc2cocc2;O=C(NCc1cocc1)N2CCCC2;c1cocc1CNC(=O)N2CCCC2","InChI=1S/C10H14N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h3,6,8H,1-2,4-5,7H2,(H,11,13)","","2016-03-30","2017-03-31","N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide","2017-04-05"],["1DK","{4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid","C26 H23 N O5 S","O=C(C2=C(O)C(=O)N(c1ccc(cc1)CC(=O)O)C2c3cc(c(cc3C)C)C)c4sccc4;Cc1cc(C)c(cc1C)[CH]2N(C(=O)C(=C2C(=O)c3sccc3)O)c4ccc(CC(O)=O)cc4;Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C","InChI=1S/C26H23NO5S/c1-14-11-16(3)19(12-15(14)2)23-22(24(30)20-5-4-10-33-20)25(31)26(32)27(23)18-8-6-17(7-9-18)13-21(28)29/h4-12,23,31H,13H2,1-3H3,(H,28,29)/t23-/m1/s1","","2012-12-11","2014-02-21","{4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid","2014-02-26"],["P94","4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile","C19 H18 N4","N#Cc3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3;Nc1ccc2ccc(CNCCc3ccc(cc3)C#N)cc2n1;c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N","InChI=1S/C19H18N4/c20-12-15-3-1-14(2-4-15)9-10-22-13-16-5-6-17-7-8-19(21)23-18(17)11-16/h1-8,11,22H,9-10,13H2,(H2,21,23)","","2017-05-24","2017-08-11","4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile","2017-08-16"],["1DL","5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid","C23 H16 Br N O5 S","Brc1cc(sc1)C3N(C(=O)C(O)=C3C(=O)c2ccccc2)c4cc(C(=O)O)c(cc4)C;Cc1ccc(cc1C(O)=O)N2[CH](c3scc(Br)c3)C(=C(O)C2=O)C(=O)c4ccccc4;Cc1ccc(cc1C(=O)O)N2C(C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br","InChI=1S/C23H16BrNO5S/c1-12-7-8-15(10-16(12)23(29)30)25-19(17-9-14(24)11-31-17)18(21(27)22(25)28)20(26)13-5-3-2-4-6-13/h2-11,19,27H,1H3,(H,29,30)/t19-/m0/s1","","2012-12-11","2014-03-14","5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid","2014-03-19"],["P95","~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide","C16 H10 N6 O2 S2","O=C(Nc1sccc1C(=O)Nc2ncccn2)c3sc4ccncc4n3;c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3","InChI=1S/C16H10N6O2S2/c23-12(22-16-18-4-1-5-19-16)9-3-7-25-14(9)21-13(24)15-20-10-8-17-6-2-11(10)26-15/h1-8H,(H,21,24)(H,18,19,22,23)","","2017-07-10","2018-05-11","~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide","2018-05-16"],["1DM","N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE","C24 H36 N4 O11","[O-][N+](=O)c4cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NC(CN2CCOCC2)CN3CCOCC3)c4;OC[CH]1O[CH](Oc2cc(cc(c2)[N+]([O-])=O)C(=O)NC(CN3CCOCC3)CN4CCOCC4)[CH](O)[CH](O)[CH]1O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4","InChI=1S/C24H36N4O11/c29-14-19-20(30)21(31)22(32)24(39-19)38-18-10-15(9-17(11-18)28(34)35)23(33)25-16(12-26-1-5-36-6-2-26)13-27-3-7-37-8-4-27/h9-11,16,19-22,24,29-32H,1-8,12-14H2,(H,25,33)/t19-,20+,21+,22-,24+/m1/s1","","2003-07-17","2011-06-04","3-(alpha-D-galactopyranosyloxy)-N-[2-morpholin-4-yl-1-(morpholin-4-ylmethyl)ethyl]-5-nitrobenzamide",""],["1DN","7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","C20 H17 N7 O2 S","n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(OC)c(OC)c5;COc1cc2nc(n(c3ccc4c(N)nc(N)nc4c3)c2cc1OC)c5sccn5;COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N","InChI=1S/C20H17N7O2S/c1-28-15-8-13-14(9-16(15)29-2)27(18(24-13)19-23-5-6-30-19)10-3-4-11-12(7-10)25-20(22)26-17(11)21/h3-9H,1-2H3,(H4,21,22,25,26)","","2013-07-30","2014-02-14","7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine","2014-02-19"],["P96","2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol","C25 H32 I N3 O","Ic2c(O)c(cc(C#CCNc1ccccc1)c2)CN3CCC(N(CC)CC)CC3;CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCNc3ccccc3;CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3","InChI=1S/C25H32IN3O/c1-3-29(4-2)23-12-15-28(16-13-23)19-21-17-20(18-24(26)25(21)30)9-8-14-27-22-10-6-5-7-11-22/h5-7,10-11,17-18,23,27,30H,3-4,12-16,19H2,1-2H3","","2012-01-30","2014-09-05","2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol",""],["P97","D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide","C20 H23 Cl N4 O2","O=C(NCc1c(Cl)ccnc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cnccc3Cl;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cnccc3Cl)N","InChI=1S/C20H23ClN4O2/c21-16-8-9-23-12-15(16)13-24-19(26)18-7-4-10-25(18)20(27)17(22)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,17-18H,4,7,10-11,13,22H2,(H,24,26)/t17-,18+/m1/s1","","2011-06-21","2012-06-15","D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide",""],["1DO","1-DODECANOL","C12 H26 O","OCCCCCCCCCCCC;CCCCCCCCCCCCO;CCCCCCCCCCCCO","InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3","","2006-02-26","2011-06-04","dodecan-1-ol",""],["P98","2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline","C26 H23 N3 O","n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5;CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5;CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4","InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3","","2013-09-19","2013-12-06","2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline","2013-12-11"],["1DP","N1-deaza-adenosine-5'-monophosphate","C11 H15 N4 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(N)ccnc12)C(O)C3O;Nc1ccnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1cnc2c(c1N)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C11H15N4O7P/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1","3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine","2009-07-01","2021-03-13","3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine",""],["P99","2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide","C16 H16 F2 N2 O4 S2","O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC(=O)N)c(F)c2;NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2)cc1F;c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F","InChI=1S/C16H16F2N2O4S2/c17-13-8-11(9-14(18)16(13)24-10-15(19)21)25-7-6-20-26(22,23)12-4-2-1-3-5-12/h1-5,8-9,20H,6-7,10H2,(H2,19,21)","2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide","2010-03-15","2020-06-17","2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide",""],["1DQ","5-(trifluoromethyl)-1H-imidazole","C4 H3 F3 N2","FC(F)(F)c1cncn1;FC(F)(F)c1[nH]cnc1;c1c([nH]cn1)C(F)(F)F","InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)","","2012-12-13","2013-03-22","5-(trifluoromethyl)-1H-imidazole","2013-03-27"],["P9A","3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid","C24 H29 N O7","O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)CCC34CC2CC(OC2(C3)C)C45)C;C[C]12C[C]34CCC(=O)[C](C)(CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)[CH]3[CH](C[CH]1C4)O2;CC12CC34CCC(=O)C(C3C(O1)CC2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O","InChI=1S/C24H29NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-4,12,15,20,26,29H,5-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1","","2009-03-06","2011-06-04","3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid",""],["1DR","1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde","C15 H10 N2 O","O=Cc4c3c(c2nc1c(cccc1)c2cc3)nc4;O=Cc1c[nH]c2c3[nH]c4ccccc4c3ccc12;c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O","InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H","","2009-09-11","2011-06-04","1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde",""],["P9B","4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide","C13 H8 F5 N3 O3 S","O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2;N[S](=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1;c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N","InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)","","2010-05-26","2011-06-04","4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide",""],["1DS","1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside","C22 H40 O12","O=C(OCC2(OC1OC(CO)C(O)C(O)C1O)OC(C(O)C2O)CO)CCCCCCCCC;CCCCCCCCCC(=O)OC[C]1(O[CH](CO)[CH](O)[CH]1O)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CCCCCCCCCC(=O)OCC1(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-15(25)31-12-22(20(30)17(27)14(11-24)33-22)34-21-19(29)18(28)16(26)13(10-23)32-21/h13-14,16-21,23-24,26-30H,2-12H2,1H3/t13-,14-,16-,17+,18-,19-,20+,21+,22+/m1/s1","","2012-11-16","2013-06-21","1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside","2013-06-26"],["P9C","3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid","C30 H33 N O7","O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)CC(c2ccccc2)C46C3C5OC(C)(C4)C(C5)C6)C;C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C](C)(CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C[CH]4c6ccccc6;CC12CC34CC1CC(C3C(C(=O)CC4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2","InChI=1S/C30H33NO7/c1-28(11-10-23(34)31-24-20(32)9-8-18(25(24)35)27(36)37)22(33)13-19(16-6-4-3-5-7-16)30-14-17-12-21(26(28)30)38-29(17,2)15-30/h3-9,17,19,21,26,32,35H,10-15H2,1-2H3,(H,31,34)(H,36,37)/t17-,19-,21+,26+,28-,29+,30+/m1/s1","","2009-01-30","2011-06-04","3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid",""],["1DT","N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C18 H18 N4 O2","O=C(c3c2nc(Oc1ccccc1)cnc2nc3)NC(C)C4CC4;C[CH](NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12)C4CC4;CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4","InChI=1S/C18H18N4O2/c1-11(12-7-8-12)21-18(23)14-9-19-17-16(14)22-15(10-20-17)24-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3,(H,19,20)(H,21,23)/t11-/m0/s1","","2012-12-13","2013-10-11","N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-10-16"],["P9D","[{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate","C31 H39 N11 O6 S","O=C(Nc1nc(cs1)C(C)(C)C)C5=CC4=NC(N2CCCC(OC(=O)NCC[N+](CC([O-])=O)(C)C)C2)=C(C=Cc3nnnn3)C(=O)N4C=C5;CC(C)(C)c1csc(NC(=O)C2=CC3=NC(=C(C=Cc4[nH]nnn4)C(=O)N3C=C2)N5CCC[CH](C5)OC(=O)NCC[N+](C)(C)CC([O-])=O)n1;CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)C=Cc4[nH]nnn4)N5CCCC(C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]","InChI=1S/C31H39N11O6S/c1-31(2,3)22-18-49-29(33-22)35-27(45)19-10-13-41-24(15-19)34-26(21(28(41)46)8-9-23-36-38-39-37-23)40-12-6-7-20(16-40)48-30(47)32-11-14-42(4,5)17-25(43)44/h8-10,13,15,18,20H,6-7,11-12,14,16-17H2,1-5H3,(H3-,32,33,35,36,37,38,39,43,44,45,47)/t20-/m1/s1","","2012-01-06","2013-06-28","[{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate","2013-07-03"],["1DU","2-(1H-pyrazol-1-yl)ethanol","C5 H8 N2 O","OCCn1nccc1;OCCn1cccn1;c1cnn(c1)CCO","InChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2","","2012-12-13","2013-03-22","2-(1H-pyrazol-1-yl)ethanol","2013-03-27"],["P9E","2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide","C7 H6 N2 O3 S2","N[S](=O)(=O)c1ccc2OC(=S)Nc2c1;c1cc2c(cc1S(=O)(=O)N)NC(=S)O2","InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11)","","2020-04-18","2020-06-26","2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide","2020-07-01"],["1DV","5-methyl-3-(trifluoromethyl)-1H-pyrazole","C5 H5 F3 N2","FC(F)(F)c1nnc(c1)C;Cc1[nH]nc(c1)C(F)(F)F;Cc1cc(n[nH]1)C(F)(F)F","InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)","","2012-12-13","2013-03-22","5-methyl-3-(trifluoromethyl)-1H-pyrazole","2013-03-27"],["P9F","(2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid","C25 H29 Cl N2 O5","OC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3ccc(Cl)cc3;c1ccc(cc1)CC(C(=O)O)NC(=O)C(CC2CCCCC2)NC(=O)Oc3ccc(cc3)Cl","InChI=1S/C25H29ClN2O5/c26-19-11-13-20(14-12-19)33-25(32)28-21(15-17-7-3-1-4-8-17)23(29)27-22(24(30)31)16-18-9-5-2-6-10-18/h2,5-6,9-14,17,21-22H,1,3-4,7-8,15-16H2,(H,27,29)(H,28,32)(H,30,31)/t21-,22-/m0/s1","(2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid","2022-10-04","2024-09-27","(2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid","2023-10-04"],["1DW","2-bromo-5-hydroxybenzaldehyde","C7 H5 Br O2","O=Cc1cc(O)ccc1Br;Oc1ccc(Br)c(C=O)c1;c1cc(c(cc1O)C=O)Br","InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H","","2012-12-13","2013-03-22","2-bromo-5-hydroxybenzaldehyde","2013-03-27"],["P9G","diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum","C23 H27 N8 O7 P Pt","O=P(O)(O)OCC6OC(n2cn(c1c2N=C(N)NC1=O)[Pt](N)(N)n5c3ccccc3c4ccccc4c5)CC6O;N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn([CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6nc(N)[nH]c(=O)c46;C1C(C(OC1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O","InChI=1S/C13H9N.C10H14N5O7P.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;;/h1-9H;3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);2*1H2;/q;;2*-1;+2/t;4-,5+,6+;;;/m.0.../s1","","2014-05-02","2014-06-27","diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum","2014-07-02"],["1DX","4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid","C35 H33 F4 N O5","O=C(O)c1ccc(cc1)CN(CCCCC(=O)O)CCc4cc(F)ccc4OCc3ccc(c2ccc(cc2)C(F)(F)F)cc3;OC(=O)CCCCN(CCc1cc(F)ccc1OCc2ccc(cc2)c3ccc(cc3)C(F)(F)F)Cc4ccc(cc4)C(O)=O;c1cc(ccc1CN(CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O","InChI=1S/C35H33F4NO5/c36-31-16-17-32(45-23-25-6-8-26(9-7-25)27-12-14-30(15-13-27)35(37,38)39)29(21-31)18-20-40(19-2-1-3-33(41)42)22-24-4-10-28(11-5-24)34(43)44/h4-17,21H,1-3,18-20,22-23H2,(H,41,42)(H,43,44)","","2012-12-14","2013-11-15","4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid","2013-11-20"],["P9H","(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","C19 H25 N3 O7 S","N[CH](CCC(=O)N[CH](CS[CH](CC=O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)C(CC=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C19H25N3O7S/c20-13(19(28)29)6-7-16(24)22-14(18(27)21-10-17(25)26)11-30-15(8-9-23)12-4-2-1-3-5-12/h1-5,9,13-15H,6-8,10-11,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/t13-,14-,15+/m0/s1","Glutathionyl-cinnamaldehyde","2020-04-19","2021-03-01","(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","2020-08-26"],["1DY","N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide","C25 H22 N4 O4","O=C(Nc1ccccc1OC)c2ccc(cc2)NC(=O)CCC4=Nc3c(cccc3)C(=O)N4;COc1ccccc1NC(=O)c2ccc(NC(=O)CCC3=Nc4ccccc4C(=O)N3)cc2;COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3","InChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32)","","2012-12-14","2013-02-01","N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide","2013-02-01"],["P9I","1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE","C15 H13 N2 O","OC(=C2C=C(c1ncccc1)c3cccc[n+]23)C;CC(O)=C1C=C(c2ccccn2)c3cccc[n+]13;CC(=C1C=C(c2[n+]1cccc2)c3ccccn3)O","InChI=1S/C15H12N2O/c1-11(18)15-10-12(13-6-2-4-8-16-13)14-7-3-5-9-17(14)15/h2-10H,1H3/p+1","","2011-11-26","2014-09-05","(3Z)-3-(1-hydroxyethylidene)-1-(pyridin-2-yl)-3H-indolizinium",""],["1DZ","1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid","C17 H14 N2 O2","O=C(O)c2nn(c1cccc(c1)C)c(c2)c3ccccc3;Cc1cccc(c1)n2nc(cc2c3ccccc3)C(O)=O;Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3","InChI=1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)","","2013-07-30","2013-12-06","1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid","2013-12-11"],["P9J","4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one","C18 H15 N5 O","O=C3N(N=C(Nc1nnc(c1)C)c2ccccc23)c4ccccc4;Cc1[nH]nc(NC2=NN(c3ccccc3)C(=O)c4ccccc24)c1;Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4","InChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)","","2010-12-15","2011-06-04","4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one",""],["1E0","4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide","C18 H19 N5 O3","O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCCC)cc3;CCCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1;CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N","InChI=1S/C18H19N5O3/c1-2-8-26-12-7-6-11-4-3-5-15(13(11)9-12)23-10-14(21-18(20)25)16(22-23)17(19)24/h3-7,9-10H,2,8H2,1H3,(H2,19,24)(H3,20,21,25)","","2013-08-09","2014-03-28","4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide","2014-04-02"],["P9K","N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide","C22 H19 F3 N6 O3 S","CN(c1ccccc1C=Nc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O;CN(c1ccccc1C=Nc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C","InChI=1S/C22H19F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,11-12H,10H2,1-2H3,(H,29,32)(H,27,28,30)/b26-11+","","2020-04-20","2021-02-05","~{N}-methyl-~{N}-[2-[(~{E})-[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]phenyl]methanesulfonamide","2021-02-10"],["1E1","(2R,3S)-3-amino-4-cyclopropyl-2-hydroxybutanamide","C7 H14 N2 O2","O=C(N)C(O)C(N)CC1CC1;N[CH](CC1CC1)[CH](O)C(N)=O;C1CC1CC(C(C(=O)N)O)N","InChI=1S/C7H14N2O2/c8-5(3-4-1-2-4)6(10)7(9)11/h4-6,10H,1-3,8H2,(H2,9,11)/t5-,6+/m0/s1","","2012-12-18","2012-12-21","(2R,3S)-3-amino-4-cyclopropyl-2-hydroxybutanamide","2012-12-21"],["P9L","1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one","C14 H19 N3 O4 S","O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3;CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3;CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3","InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3","","2011-11-26","2014-09-05","1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one",""],["1E2","(2S)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-D-glucopyranoside","C11 H20 O11 S","O=S(=O)(O)CC1OC(OCC(O)COC(=O)C)C(O)C(O)C1O;CC(=O)OC[CH](O)CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;CC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)O","InChI=1S/C11H20O11S/c1-5(12)20-2-6(13)3-21-11-10(16)9(15)8(14)7(22-11)4-23(17,18)19/h6-11,13-16H,2-4H2,1H3,(H,17,18,19)/t6-,7-,8-,9+,10-,11-/m1/s1","","2012-12-18","2013-04-12","(2S)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-D-glucopyranoside","2013-04-17"],["P9M","N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide","C17 H22 N2 O3 S","O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3CCCC3;Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CCCC3;Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C","InChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3","","2011-11-26","2014-09-05","N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide",""],["1E3","(2S)-2,9-diaminononanoic acid","C9 H20 N2 O2","O=C(O)C(N)CCCCCCCN;NCCCCCCC[CH](N)C(O)=O;C(CCCC(C(=O)O)N)CCCN","InChI=1S/C9H20N2O2/c10-7-5-3-1-2-4-6-8(11)9(12)13/h8H,1-7,10-11H2,(H,12,13)/t8-/m0/s1","","2012-12-18","2024-09-27","(2S)-2,9-diaminononanoic acid","2013-03-06"],["P9N","Pregnanolone","C21 H34 O2","CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1","(3alpha,5beta)-3-Hydroxypregnan-20-one","2017-10-22","2020-06-17","1-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]ethanone","2017-11-01"],["1E4","1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol","C33 H31 Cl F N3 O12 S","O=C(O)c1ccc(nc1)c4cc(OCC(O)C(O)C(O)C(O)COc2c(Cl)cc(c(OC)c2)NC(=O)CSc3ncc(cc3)C(=O)O)cc(F)c4;COc1cc(OC[CH](O)[CH](O)[CH](O)[CH](O)COc2cc(F)cc(c2)c3ccc(cn3)C(O)=O)c(Cl)cc1NC(=O)CSc4ccc(cn4)C(O)=O;COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OCC(C(C(C(COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O","InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m1/s1","","2012-12-18","2013-01-18","1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol","2013-01-18"],["P9O","(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C18 H18 Cl N3 O2","Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2CCNCc21;Clc1ccc2OCC[CH](C(=O)Nc3cncc4CCNCc34)c2c1;c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cncc4c3CNCC4","InChI=1S/C18H18ClN3O2/c19-12-1-2-17-14(7-12)13(4-6-24-17)18(23)22-16-10-21-8-11-3-5-20-9-15(11)16/h1-2,7-8,10,13,20H,3-6,9H2,(H,22,23)/t13-/m1/s1","","2023-08-18","2023-11-03","(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["1E5","6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid","C14 H10 F N O5","O=C(O)COc2cc(c1ncc(cc1)C(=O)O)cc(F)c2;OC(=O)COc1cc(F)cc(c1)c2ccc(cn2)C(O)=O;c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O","InChI=1S/C14H10FNO5/c15-10-3-9(4-11(5-10)21-7-13(17)18)12-2-1-8(6-16-12)14(19)20/h1-6H,7H2,(H,17,18)(H,19,20)","","2012-12-18","2013-01-18","6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid","2013-01-18"],["P9P","2-chloranyl-4-nitro-phenol","C6 H4 Cl N O3","Oc1ccc(cc1Cl)[N](=O)=O;c1cc(c(cc1N(=O)=O)Cl)O","InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H","","2015-10-23","2015-12-11","2-chloranyl-4-nitro-phenol","2015-12-16"],["1E6","6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid","C18 H19 Cl N2 O7 S","Clc1cc(c(OC)cc1OCC(O)CO)NC(=O)CSc2ncc(cc2)C(=O)O;COc1cc(OC[CH](O)CO)c(Cl)cc1NC(=O)CSc2ccc(cn2)C(O)=O;COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OCC(CO)O","InChI=1S/C18H19ClN2O7S/c1-27-15-5-14(28-8-11(23)7-22)12(19)4-13(15)21-16(24)9-29-17-3-2-10(6-20-17)18(25)26/h2-6,11,22-23H,7-9H2,1H3,(H,21,24)(H,25,26)/t11-/m0/s1","","2012-12-18","2013-01-18","6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid","2013-01-18"],["P9Q","(1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol","C15 H32 N2 O4","NCCCCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1CO;C1C(C(C(C(C1O)O)O)CO)NCCCCCCCCN","InChI=1S/C15H32N2O4/c16-7-5-3-1-2-4-6-8-17-12-9-13(19)15(21)14(20)11(12)10-18/h11-15,17-21H,1-10,16H2/t11-,12+,13-,14+,15+/m0/s1","","2020-04-20","2024-09-27","(1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol","2021-02-24"],["1E7","6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid","C15 H13 Cl N2 O4 S","Clc1cc(c(OC)cc1)NC(=O)CSc2ncc(cc2)C(=O)O;COc1ccc(Cl)cc1NC(=O)CSc2ccc(cn2)C(O)=O;COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl","InChI=1S/C15H13ClN2O4S/c1-22-12-4-3-10(16)6-11(12)18-13(19)8-23-14-5-2-9(7-17-14)15(20)21/h2-7H,8H2,1H3,(H,18,19)(H,20,21)","","2012-12-18","2013-01-18","6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid","2013-01-18"],["P9R","[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C25 H42 N3 O8 S","CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)[S+](O)(O)=O;CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2CC3CCCCC3","InChI=1S/C25H40N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h9,15-21,24,31H,3-8,10-14H2,1-2H3,(H2-2,27,28,30,32,33,34,35)/q-1/p+2/t17-,18-,19+,20-,21-,24+/m0/s1","","2022-05-26","2024-09-27","[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2022-06-22"],["1E8","1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one","C25 H24 N6 O2","n1c(c2c(nc1)n(nc2c3ccc(cc3)Oc4ccccc4)C5CCCN(C5)C(=O)C=C)N;Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)[CH]5CCCN(C5)C(=O)C=C;C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N","InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1","Imbruvica; PCI-32765","2012-12-18","2024-09-27","1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one","2014-04-16"],["P9S","dihydroxypropylcysteine","C6 H13 N O4 S","N[CH](CSC[CH](O)CO)C(O)=O;C(C(CSCC(C(=O)O)N)O)O","InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1","","2016-07-26","2024-09-27","(2~{R})-2-azanyl-3-[(2~{R})-2,3-bis(oxidanyl)propyl]sulfanyl-propanoic acid","2017-03-22"],["1E9","N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide","C42 H44 Cl N7 O6 S3","Clc1ccc(cc1)c2ccccc2CN7CCN(c3ccc4c(c3)S(=O)(=O)N=C4NS(=O)(=O)c6cc([N+]([O-])=O)c(NC(CCN(C)C)CSc5ccccc5)cc6)CC7;CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC3=N[S](=O)(=O)c4cc(ccc34)N5CCN(CC5)Cc6ccccc6c7ccc(Cl)cc7;CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl","InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44H,20-25,28-29H2,1-2H3,(H,45,46)/t33-/m1/s1","","2012-12-20","2013-07-05","N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide","2013-07-10"],["P9T","[(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","C10 H7 F2 O5 P","C2(=O)C=C(CP(=O)(O)O)c1c(cc(cc1F)F)O2;O[P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12;c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F","InChI=1S/C10H7F2O5P/c11-6-2-7(12)10-5(4-18(14,15)16)1-9(13)17-8(10)3-6/h1-3H,4H2,(H2,14,15,16)","","2018-04-17","2019-04-12","[(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","2019-04-17"],["1EA","6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid","C26 H22 F N O3","O=C(O)c1c4cc(F)ccc4nc(c1)c3cc(c(Oc2ccccc2)cc3C)C(C)C;CC(C)c1cc(c(C)cc1Oc2ccccc2)c3cc(C(O)=O)c4cc(F)ccc4n3;Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4","InChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30)","","2012-12-20","2013-08-16","6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid","2013-08-21"],["P9U","(2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid","C41 H44 Cl N3 O6","OC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3ccc(NC(=O)C(Cc4ccccc4)Cc5ccccc5)c(Cl)c3;c1ccc(cc1)CC(Cc2ccccc2)C(=O)Nc3ccc(cc3Cl)OC(=O)NC(CC4CCCCC4)C(=O)NC(Cc5ccccc5)C(=O)O","InChI=1S/C41H44ClN3O6/c42-34-27-33(21-22-35(34)43-38(46)32(23-28-13-5-1-6-14-28)24-29-15-7-2-8-16-29)51-41(50)45-36(25-30-17-9-3-10-18-30)39(47)44-37(40(48)49)26-31-19-11-4-12-20-31/h1-2,4-8,11-16,19-22,27,30,32,36-37H,3,9-10,17-18,23-26H2,(H,43,46)(H,44,47)(H,45,50)(H,48,49)/t36-,37-/m0/s1","(2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid","2022-10-04","2024-09-27","(2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid","2023-10-04"],["1EB","N-(4-nitrophenyl)cyclopropanecarboxamide","C10 H10 N2 O3","O=C(Nc1ccc([N+]([O-])=O)cc1)C2CC2;[O-][N+](=O)c1ccc(NC(=O)C2CC2)cc1;c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]","InChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)","","2013-08-13","2013-09-20","N-(4-nitrophenyl)cyclopropanecarboxamide","2013-09-25"],["P9V","(2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol","C8 H17 N O3 S","CSCCC1NCC(C(C1O)O)O;CSCC[CH]1NC[CH](O)[CH](O)[CH]1O;CSCCC1C(C(C(CN1)O)O)O","InChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1","","2019-08-06","2020-08-14","(2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol","2020-08-19"],["1EC","[(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)","C9 H21 B N O6","O=C(O)C(N)(CCCC[B-](O)(O)O)CCCO;N[C](CCCO)(CCCC[B-](O)(O)O)C(O)=O;[B-](CCCCC(CCCO)(C(=O)O)N)(O)(O)O","InChI=1S/C9H21BNO6/c11-9(8(13)14,5-3-7-12)4-1-2-6-10(15,16)17/h12,15-17H,1-7,11H2,(H,13,14)/q-1/t9-/m1/s1","","2013-01-02","2013-03-15","[(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)","2013-03-20"],["P9X","(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid","C12 H10 O4","C[C]1(OC(=CC1=O)C(O)=O)c2ccccc2;CC1(C(=O)C=C(O1)C(=O)O)c2ccccc2","InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1","Acifran","2023-03-05","2023-08-25","(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid","2023-08-30"],["1ED","(3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione","C18 H18 N2 O3","O=C1NC(C(=O)NC1Cc2ccccc2)Cc3ccc(O)cc3;Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccccc3)NC2=O)cc1;c1ccc(cc1)CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O","InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1","","2013-01-02","2013-04-26","(3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione","2013-05-01"],["P9Y","1-[3-(4-chlorophenoxy)propyl]-1H-imidazole","C12 H13 Cl N2 O","c1(ccc(cc1)Cl)OCCCn2ccnc2;Clc1ccc(OCCCn2ccnc2)cc1;c1cc(ccc1OCCCn2ccnc2)Cl","InChI=1S/C12H13ClN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2","","2019-08-07","2020-10-02","1-[3-(4-chlorophenoxy)propyl]-1H-imidazole","2020-10-07"],["1EE","[(5R)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)","C13 H28 B N2 O6","O=C(O)C(N)(CCN1CCC(O)CC1)CCCC[B-](O)(O)O;N[C](CCCC[B-](O)(O)O)(CCN1CC[CH](O)CC1)C(O)=O;[B-](CCCCC(CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O","InChI=1S/C13H28BN2O6/c15-13(12(18)19,5-1-2-7-14(20,21)22)6-10-16-8-3-11(17)4-9-16/h11,17,20-22H,1-10,15H2,(H,18,19)/q-1/t13-/m1/s1","","2013-01-02","2013-03-15","[(5R)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)","2013-03-20"],["PA0","Phenylarsine oxide","C6 H5 As O","O=[As]c1ccccc1;O=[As]c1ccccc1;c1ccc(cc1)[As]=O","InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H","oxo(phenyl)arsane","2008-08-13","2021-03-01","oxo(phenyl)arsane",""],["1EF","N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide","C25 H25 N5 O3","O=C(NO)CC(n1nnc(c1)CNC(=O)c2ccc(cc2)C)Cc4cc3ccccc3cc4;Cc1ccc(cc1)C(=O)NCc2cn(nn2)[CH](CC(=O)NO)Cc3ccc4ccccc4c3;Cc1ccc(cc1)C(=O)NCc2cn(nn2)C(Cc3ccc4ccccc4c3)CC(=O)NO","InChI=1S/C25H25N5O3/c1-17-6-9-20(10-7-17)25(32)26-15-22-16-30(29-27-22)23(14-24(31)28-33)13-18-8-11-19-4-2-3-5-21(19)12-18/h2-12,16,23,33H,13-15H2,1H3,(H,26,32)(H,28,31)/t23-/m1/s1","","2013-01-02","2013-12-13","N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide","2013-12-18"],["PA1","2-amino-2-deoxy-alpha-D-glucopyranose","C6 H13 N O5","OC1C(O)C(OC(O)C1N)CO;N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)O","InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1","alpah-D-glucosamine; 2-amino-2-deoxy-alpha-D-glucose; 2-amino-2-deoxy-D-glucose; 2-amino-2-deoxy-glucose","1999-07-08","2021-08-24","2-amino-2-deoxy-alpha-D-glucopyranose",""],["1EG","5'-O-(L-alpha-glutamylsulfamoyl)guanosine","C15 H21 N7 O10 S","O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n1cnc2c1NC(=NC2=O)N)C(O)C3O;N[CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23;c1nc2c(n1C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)O)N)O)O)NC(=NC2=O)N","InChI=1S/C15H21N7O10S/c16-5(1-2-7(23)24)12(27)21-33(29,30)31-3-6-9(25)10(26)14(32-6)22-4-18-8-11(22)19-15(17)20-13(8)28/h4-6,9-10,14,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H3,17,19,20,28)/t5-,6+,9+,10+,14+/m0/s1","","2013-01-03","2013-12-20","5'-O-(L-alpha-glutamylsulfamoyl)guanosine","2013-12-25"],["PA2","PAROMOMYCIN (RING 2)","C6 H14 N2 O2","OC1CC(N)CC(N)C1O;N[CH]1C[CH](N)[CH](O)[CH](O)C1;C1C(CC(C(C1N)O)O)N","InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/t3-,4+,5-,6-/m0/s1","","1999-07-08","2011-06-04","(1S,2S,3R,5S)-3,5-diaminocyclohexane-1,2-diol",""],["1EH","4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide","C20 H14 Cl N3 O2 S2","O=C(c3sc(c2c1c(sc(C(=O)N)c1)ccc2)cc3)NCc4ccnc(Cl)c4;NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccnc(Cl)c4)c2c1;c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl","InChI=1S/C20H14ClN3O2S2/c21-18-8-11(6-7-23-18)10-24-20(26)16-5-4-15(27-16)12-2-1-3-14-13(12)9-17(28-14)19(22)25/h1-9H,10H2,(H2,22,25)(H,24,26)","","2013-01-03","2013-08-23","4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide","2013-08-28"],["PA3","PAROMOMYCIN (RING 3)","C5 H10 O3","OCC1OCC(O)C1;OC[CH]1C[CH](O)CO1;C1C(COC1CO)O","InChI=1S/C5H10O3/c6-2-5-1-4(7)3-8-5/h4-7H,1-3H2/t4-,5+/m1/s1","","1999-07-08","2013-01-08","1,4-anhydro-3-deoxy-D-erythro-pentitol",""],["1EI","5'-O-(L-alpha-glutamylsulfamoyl)inosine","C15 H20 N6 O10 S","O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O;N[CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)O)N)O)O)N=CNC2=O","InChI=1S/C15H20N6O10S/c16-6(1-2-8(22)23)13(26)20-32(28,29)30-3-7-10(24)11(25)15(31-7)21-5-19-9-12(21)17-4-18-14(9)27/h4-7,10-11,15,24-25H,1-3,16H2,(H,20,26)(H,22,23)(H,17,18,27)/t6-,7+,10+,11+,15+/m0/s1","","2013-01-03","2013-12-20","5'-O-(L-alpha-glutamylsulfamoyl)inosine","2013-12-25"],["1EJ","3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid","C17 H9 Cl F N3 O2 S2","Fc1ccc(cc1)c4nnc(S)n4c3ccc2c(sc(c2Cl)C(=O)O)c3;OC(=O)c1sc2cc(ccc2c1Cl)n3c(S)nnc3c4ccc(F)cc4;c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F","InChI=1S/C17H9ClFN3O2S2/c18-13-11-6-5-10(7-12(11)26-14(13)16(23)24)22-15(20-21-17(22)25)8-1-3-9(19)4-2-8/h1-7H,(H,21,25)(H,23,24)","","2013-01-03","2013-08-09","3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid","2013-08-14"],["PA4","PAROMOMYCIN (RING 4)","C6 H14 N2 O4","OC1C(O)C(OC(O)C1N)CN;NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)N","InChI=1/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5+,6-/m0/s1","","1999-07-08","2008-10-14","2,6-diamino-2,6-dideoxy-beta-L-idopyranose",""],["PA5","5-PHOSPHOARABINONIC ACID","C5 H11 O9 P","O=P(O)(O)OCC(O)C(O)C(O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O","InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1","","2000-03-08","2011-06-04","5-O-phosphono-D-arabinonic acid",""],["1EK","{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid","C18 H12 Cl N3 O2 S2","O=C(O)CSc4nnc(c2sc1ccccc1c2Cl)n4c3ccccc3;OC(=O)CSc1nnc(n1c2ccccc2)c3sc4ccccc4c3Cl;c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl","InChI=1S/C18H12ClN3O2S2/c19-15-12-8-4-5-9-13(12)26-16(15)17-20-21-18(25-10-14(23)24)22(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,24)","","2013-01-03","2013-08-09","{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid","2013-08-14"],["1EL","9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one","C17 H14 N2 O2","O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C;Cc1c2CC=NC(=O)c2c(C)c3c1[nH]c4ccc(O)cc34;Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2","InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3","","2010-09-21","2011-06-04","9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one",""],["PA6","(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE","C9 H17 O8 P","O=P(O)(OCC(OC=O)COC(=O)CCCC)O;CCCCC(=O)OC[CH](CO[P](O)(O)=O)OC=O;CCCCC(=O)OCC(COP(=O)(O)O)OC=O","InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1","PHOSPHATIDIC ACID","2006-11-07","2021-03-01","(2R)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate",""],["PA7","N-PROPYL CARBOXYAMIDO ADENOSINE","C13 H18 N6 O4","O=C(NCCC)C3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1","","2004-07-23","2011-06-04","(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-propyltetrahydrofuran-2-carboxamide (non-preferred name)",""],["1EM","(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE","C26 H50 O5","O=C(OC(COC(=O)CCCCCCCC)CO)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC;CCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC","InChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(29)31-24(22-27)23-30-25(28)20-18-16-10-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m0/s1","","2006-10-03","2011-06-04","(1S)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl tetradecanoate",""],["1EN","3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine","C21 H15 Cl F N3 O","Clc1ccc(cc1)C5(c4nnc3c(Oc2ccccc2F)cccn34)CC5;Fc1ccccc1Oc2cccn3c2nnc3C4(CC4)c5ccc(Cl)cc5;c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F","InChI=1S/C21H15ClFN3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2","","2013-01-07","2014-06-06","3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine","2014-06-11"],["PA8","1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE","C19 H36 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC","InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/p-1/t17-/m1/s1","","2004-08-02","2011-06-04","(2R)-2,3-bis(octanoyloxy)propyl hydrogen phosphate",""],["PA9","N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine","C9 H17 N2 O7 P","O=C(NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O;CC(=O)N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O;CC(=O)NC(CCCNC(=O)CP(=O)(O)O)C(=O)O","InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1","","2008-06-03","2011-06-04","N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine",""],["1EO","(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol","C19 H18 F N3 O2","Fc5ccccc5Oc4cccn1c4nnc1C23CCC(O)(CC2)C3;OC12CCC(CC1)(C2)c3nnc4n3cccc4Oc5ccccc5F;c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F","InChI=1S/C19H18FN3O2/c20-13-4-1-2-5-14(13)25-15-6-3-11-23-16(15)21-22-17(23)18-7-9-19(24,12-18)10-8-18/h1-6,11,24H,7-10,12H2/t18-,19+","","2013-01-07","2014-06-06","(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol","2014-06-11"],["PAB","4-AMINOBENZOIC ACID","C7 H7 N O2","O=C(O)c1ccc(N)cc1;Nc1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)N","InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)","","1999-07-08","2025-02-14","4-aminobenzoic acid",""],["1EP","(5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione","C17 H24 N2 O2","O=C1N(C(=O)NC1C(C)C)Cc2ccc(cc2)C(C)(C)C;CC(C)[CH]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O;CC(C)C1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C","InChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1","","2013-01-07","2013-06-28","(5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione","2013-07-03"],["PAC","2-PHENYLACETIC ACID","C8 H8 O2","O=C(O)Cc1ccccc1;OC(=O)Cc1ccccc1;c1ccc(cc1)CC(=O)O","InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)","","1999-07-08","2024-09-27","phenylacetic acid",""],["1EQ","3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine","C18 H16 Cl N3","Clc1ccc(cc1)C5(c3nnc2c(cccn23)C4CC4)CC5;Clc1ccc(cc1)C2(CC2)c3nnc4n3cccc4C5CC5;c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5","InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2","","2013-01-07","2014-06-06","3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine","2014-06-11"],["PAD","5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE","C21 H27 N7 O14 P2","NC(=O)c1cccc([nH+]1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc([nH+]c(c1)C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1","CPAD","1999-07-08","2020-06-17","[(2R,3S,4R,5S)-5-(6-aminocarbonylpyridin-1-ium-2-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["1ER","3-(3-tert-butylphenyl)pyridin-2(1H)-one","C15 H17 N O","O=C2C(c1cc(ccc1)C(C)(C)C)=CC=CN2;CC(C)(C)c1cccc(c1)C2=CC=CNC2=O;CC(C)(C)c1cccc(c1)C2=CC=CNC2=O","InChI=1S/C15H17NO/c1-15(2,3)12-7-4-6-11(10-12)13-8-5-9-16-14(13)17/h4-10H,1-3H3,(H,16,17)","","2013-01-07","2013-06-28","3-(3-tert-butylphenyl)pyridin-2(1H)-one","2013-07-03"],["PAE","PHOSPHONOACETIC ACID","C2 H5 O5 P","O=C(O)CP(=O)(O)O;OC(=O)C[P](O)(O)=O;C(C(=O)O)P(=O)(O)O","InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)","","2000-05-01","2011-06-04","phosphonoacetic acid",""],["1ES","2-(1-methyl-1H-indol-3-yl)ethanamine","C11 H14 N2","c1cccc2c1c(cn2C)CCN;Cn1cc(CCN)c2ccccc12;Cn1cc(c2c1cccc2)CCN","InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3","","2013-01-08","2014-01-24","2-(1-methyl-1H-indol-3-yl)ethanamine","2014-01-29"],["1ET","6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)","C23 H29 N5","n1c(N)cc(cc1CCc2cc(cc(c2)CN)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C","InChI=1S/C23H29N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6,14,24H2,1-2H3,(H2,25,27)(H2,26,28)","","2013-01-08","2013-04-19","6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)","2013-04-24"],["PAF","PANTOATE","C6 H11 O4","O=C([O-])C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C([O-])=O;CC(C)(CO)C(C(=O)[O-])O","InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/p-1/t4-/m0/s1","2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRATE","2002-11-05","2021-03-13","(2R)-2,4-dihydroxy-3,3-dimethylbutanoate",""],["1EU","1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea","C17 H17 N5 O2","O=C(c2cc(cc1c2nc(n1)NC(=O)NCC)c3cccnc3)C;CCNC(=O)Nc1[nH]c2cc(cc(C(C)=O)c2n1)c3cccnc3;CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3","InChI=1S/C17H17N5O2/c1-3-19-17(24)22-16-20-14-8-12(11-5-4-6-18-9-11)7-13(10(2)23)15(14)21-16/h4-9H,3H2,1-2H3,(H3,19,20,21,22,24)","","2009-01-21","2011-06-04","1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea",""],["PAG","2-PHOSPHO-D-GLYCERIC ACID","C3 H7 O7 P","O=P(O)(O)OC(C(=O)O)CO;OC[CH](O[P](O)(O)=O)C(O)=O;C(C(C(=O)O)OP(=O)(O)O)O","InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1/f/h5,7-8H","","1999-07-08","2008-10-14","(2R)-3-hydroxy-2-(phosphonooxy)propanoic acid",""],["PAH","PHOSPHONOACETOHYDROXAMIC ACID","C2 H6 N O5 P","O=C(NO)CP(=O)(O)O;ONC(=O)C[P](O)(O)=O;C(C(=O)NO)P(=O)(O)O","InChI=1S/C2H6NO5P/c4-2(3-5)1-9(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)","","1999-07-08","2011-06-04","[2-(hydroxyamino)-2-oxoethyl]phosphonic acid",""],["1EV","3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile","C23 H25 N5","N#Cc1cc(cc(c1)CCc2nc(N)cc(c2)C)CCc3nc(N)cc(c3)C;Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)C#N)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C","InChI=1S/C23H25N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6H2,1-2H3,(H2,25,27)(H2,26,28)","","2013-01-08","2013-04-19","3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile","2013-04-24"],["1EW","6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)","C25 H33 N5","n1c(N)cc(cc1CCc2cc(c(cc2)CCCN)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1;Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN","InChI=1S/C25H33N5/c1-17-12-22(29-24(27)14-17)9-6-19-5-7-20(4-3-11-26)21(16-19)8-10-23-13-18(2)15-25(28)30-23/h5,7,12-16H,3-4,6,8-11,26H2,1-2H3,(H2,27,29)(H2,28,30)","","2013-01-08","2013-04-19","6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)","2013-04-24"],["PAI","{[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-TETRAHYDROXY-6-PHOSPHONOOXY-HEXYL)-AMINO]-METHYL}-PHOSPHONIC ACID","C9 H23 N O13 P2","O=P(O)(O)OCC(O)C(O)C(O)C(O)CN(CC(O)O)CP(=O)(O)O;OC(O)CN(C[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)N(CC(O)O)CP(=O)(O)O","InChI=1S/C9H23NO13P2/c11-5(1-10(2-7(13)14)4-24(17,18)19)8(15)9(16)6(12)3-23-25(20,21)22/h5-9,11-16H,1-4H2,(H2,17,18,19)(H2,20,21,22)/t5-,6-,8-,9-/m1/s1","","2000-12-01","2011-06-04","1-deoxy-1-[(2,2-dihydroxyethyl)(phosphonomethyl)amino]-6-O-phosphono-D-mannitol",""],["PAJ","PANTOYL ADENYLATE","C16 H24 N5 O10 P","O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(CO)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C16H24N5O10P/c1-16(2,4-22)11(25)15(26)31-32(27,28)29-3-7-9(23)10(24)14(30-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-11,14,22-25H,3-4H2,1-2H3,(H,27,28)(H2,17,18,19)/t7-,9-,10-,11+,14-/m1/s1","","2002-11-07","2011-06-04","5'-O-[(R)-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["1EX","(11Z,13Z)-hexadeca-11,13-dien-1-ol","C16 H30 O","OCCCCCCCCCC/C=CC=C/CC;CCC=CC=CCCCCCCCCCCO;CCC=CC=CCCCCCCCCCCO","InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,17H,2,7-16H2,1H3/b4-3-,6-5-","","2013-01-08","2013-03-01","(11Z,13Z)-hexadeca-11,13-dien-1-ol","2013-03-06"],["PAK","9-CYANO PAULLONE","C17 H11 N3 O","N#Cc4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4;O=C1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1;c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2","InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21)","","2004-04-26","2011-06-04","6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carbonitrile",""],["1EY","(11Z,13Z)-hexadeca-11,13-dienal","C16 H28 O","O=CCCCCCCCCC/C=CC=C/CC;CCC=CC=CCCCCCCCCCC=O;CCC=CC=CCCCCCCCCCC=O","InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5-","","2013-01-08","2013-03-01","(11Z,13Z)-hexadeca-11,13-dienal","2013-03-06"],["PAL","N-(PHOSPHONACETYL)-L-ASPARTIC ACID","C6 H10 N O8 P","O=C(NC(C(=O)O)CC(=O)O)CP(=O)(O)O;OC(=O)C[CH](NC(=O)C[P](O)(O)=O)C(O)=O;C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O","InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1","","1999-07-08","2011-06-04","N-(phosphonoacetyl)-L-aspartic acid",""],["1EZ","N-(4-sulfamoylphenyl)-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide","C18 H24 N2 O3 S","O=S(=O)(N)c1ccc(cc1)NC(=O)CC24CC3CC(CC(C2)C3)C4;N[S](=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1;c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N","InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23)/t12-,13+,14-,18-","","2013-01-09","2013-02-08","N-(4-sulfamoylphenyl)-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide","2013-02-08"],["PAM","PALMITOLEIC ACID","C16 H30 O2","O=C(O)CCCCCCCC=C/CCCCCC;CCCCCCC=CCCCCCCCC(O)=O;CCCCCCC=CCCCCCCCC(=O)O","InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-","","1999-07-08","2024-09-27","(9Z)-hexadec-9-enoic acid",""],["1F0","[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone","C38 H48 Cl2 N4 O4 S","O=C(N1CCN(CCCS(=O)(=O)C)CC1)N4C(=NC(c2ccc(Cl)cc2)(C4(c3ccc(Cl)cc3)C)C)c5ccc(cc5OCC)C(C)(C)C;CCOc1cc(ccc1C2=N[C](C)(c3ccc(Cl)cc3)[C](C)(N2C(=O)N4CCN(CCC[S](C)(=O)=O)CC4)c5ccc(Cl)cc5)C(C)(C)C;CCOc1cc(ccc1C2=NC(C(N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C","InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1","RO5045337; RG7112","2013-01-10","2020-05-26","[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone","2013-02-15"],["PAN","5-PHOSPHO-D-ARABINOHYDROXAMIC ACID","C5 H12 N O9 P","O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO;ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O","InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1","","2002-01-02","2011-06-04","1-(hydroxyamino)-5-O-phosphono-D-arabinose",""],["1F1","1H-indole-6-carboxylic acid","C9 H7 N O2","O=C(O)c1ccc2c(c1)ncc2;OC(=O)c1ccc2cc[nH]c2c1;c1cc(cc2c1cc[nH]2)C(=O)O","InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)","","2009-10-30","2011-06-04","1H-indole-6-carboxylic acid",""],["1F2","(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate","C41 H64 N4 O11","O=C4OC5(C(OC(=O)C(C(OC(=O)N2C(c1cccnc1)CCC2)C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5N4)C)C)C)CC)C;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)N2CCC[CH]2c3cccnc3)[CH](C)[CH](O[CH]4O[CH](C)C[CH]([CH]4O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]5NC(=O)O[C]15C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)N3CCCC3c4cccnc4)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C","InChI=1S/C41H64N4O11/c1-12-30-41(8)34(43-38(49)56-41)24(4)31(46)22(2)20-40(7,51-11)35(55-37-32(47)29(44(9)10)19-23(3)52-37)25(5)33(26(6)36(48)53-30)54-39(50)45-18-14-16-28(45)27-15-13-17-42-21-27/h13,15,17,21-26,28-30,32-35,37,47H,12,14,16,18-20H2,1-11H3,(H,43,49)/t22-,23-,24+,25+,26-,28-,29+,30-,32-,33+,34-,35-,37+,40-,41-/m1/s1","","2013-01-10","2013-03-01","(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate","2013-03-06"],["PAO","N-(PHOSPHONOACETYL)-L-ORNITHINE","C7 H15 N2 O6 P","O=C(NCCCC(C(=O)O)N)CP(=O)(O)O;N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O;C(CC(C(=O)O)N)CNC(=O)CP(=O)(O)O","InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1","","1999-07-08","2011-06-04","N~5~-(phosphonoacetyl)-L-ornithine",""],["1F3","(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate","C44 H66 N4 O12","O=C(Nc1ccc(cc1)C2N(C=CC2)C(=O)OC4C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5NC(=O)OC5(C(OC(=O)C4C)CC)C)C)C)C;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)N2C=CC[CH]2c3ccc(NC(C)=O)cc3)[CH](C)[CH](O[CH]4O[CH](C)C[CH]([CH]4O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]5NC(=O)O[C]15C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)N3C=CCC3c4ccc(cc4)NC(=O)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C","InChI=1S/C44H66N4O12/c1-13-33-44(9)37(46-41(53)60-44)25(4)34(50)23(2)22-43(8,55-12)38(59-40-35(51)32(47(10)11)21-24(3)56-40)26(5)36(27(6)39(52)57-33)58-42(54)48-20-14-15-31(48)29-16-18-30(19-17-29)45-28(7)49/h14,16-20,23-27,31-33,35-38,40,51H,13,15,21-22H2,1-12H3,(H,45,49)(H,46,53)/t23-,24-,25+,26+,27-,31-,32+,33-,35-,36+,37-,38-,40+,43-,44-/m1/s1","","2013-01-10","2013-03-01","(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate","2013-03-06"],["PAP","3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE","C10 H16 N5 O13 P3","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N","InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)",""],["PAQ","2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE","C14 H16 N4 O4","O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O;N[CH](C[CH]1C=C(NNc2ccccn2)C(=CC1=O)O)C(O)=O;c1ccnc(c1)NNC2=CC(C(=O)C=C2O)CC(C(=O)O)N","InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1","","1999-07-08","2024-09-27","3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine",""],["1F4","(3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate","C43 H68 N4 O11","O=C4OC5(C(OC(=O)C(C(OC(=O)N2C(c1cccnc1)CC(C)(C)C2)C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5N4)C)C)C)CC)C;CC[CH]1OC(=O)[CH](C)[CH](OC(=O)N2CC(C)(C)C[CH]2c3cccnc3)[CH](C)[CH](O[CH]4O[CH](C)C[CH]([CH]4O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]5NC(=O)O[C]15C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)N3CC(CC3c4cccnc4)(C)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C","InChI=1S/C43H68N4O11/c1-14-31-43(10)35(45-39(51)58-43)25(4)32(48)23(2)19-42(9,53-13)36(57-38-33(49)29(46(11)12)18-24(3)54-38)26(5)34(27(6)37(50)55-31)56-40(52)47-22-41(7,8)20-30(47)28-16-15-17-44-21-28/h15-17,21,23-27,29-31,33-36,38,49H,14,18-20,22H2,1-13H3,(H,45,51)/t23-,24-,25-,26+,27-,29+,30-,31-,33-,34+,35-,36-,38+,42-,43-/m1/s1","","2013-01-10","2013-03-01","(3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate","2013-03-06"],["PAR","PAROMOMYCIN","C23 H45 N5 O14","O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO;NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N","InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1","PAROMOMYCIN I; AMMINOSIDIN; CATENULIN; CRESTOMYCIN; MONOMYCIN A; NEOMYCIN E","2000-08-25","2020-05-27","(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",""],["1F5","(1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1\n1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de\ncahydrodicyclopenta[a,d][8]annulene-1,5-diol","C33 H50 O11","O4C(C5OC6C(O)C(OC3C1=C(C(C)C)CCC1(C=C2C(O)(COC)CCC2C(C)C3O)C)OC(C46O5)COC)(C7OC7)C;COC[CH]1O[CH](O[CH]2[CH](O)[CH](C)[CH]3CC[C](O)(COC)C3=C[C]4(C)CCC(=C24)C(C)C)[CH](O)[CH]5O[CH]6O[C]15O[C]6(C)[CH]7CO7;CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)C7CO7)O)C(C)C)C)(COC)O","InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1","Cotylenin A","2013-01-11","2020-06-17","(1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name)","2013-09-25"],["PAS","2-AMINO-4-OXO-4-PHOSPHONOOXY-BUTYRIC ACID","C4 H8 N O7 P","O=C(OP(=O)(O)O)CC(C(=O)O)N;N[CH](CC(=O)O[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)OP(=O)(O)O","InChI=1/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1/f/h7,9-10H","PHOSPHORYLATED ASPARTATE","1999-10-13","2009-01-07","4-oxo-O-phosphono-L-homoserine",""],["1F6","(3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione","C21 H20 F3 N3 O3","FC(F)(F)c3ccc1c(N(C(=O)/C(C(=O)N1C)=CNCCOC)c2ccccc2)c3;COCCNC=C1C(=O)N(C)c2ccc(cc2N(C1=O)c3ccccc3)C(F)(F)F;CN1c2ccc(cc2N(C(=O)C(=CNCCOC)C1=O)c3ccccc3)C(F)(F)F","InChI=1S/C21H20F3N3O3/c1-26-17-9-8-14(21(22,23)24)12-18(17)27(15-6-4-3-5-7-15)20(29)16(19(26)28)13-25-10-11-30-2/h3-9,12-13,25H,10-11H2,1-2H3/b16-13-","","2013-02-01","2013-02-22","(3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione","2013-02-22"],["PAT","ALPHA-PHOSPHONO-TRYPTOPHAN","C11 H13 N2 O5 P","O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2;N[C](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)(N)P(=O)(O)O","InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)","","2001-03-12","2024-09-27","alpha-phosphono-L-tryptophan",""],["1F7","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate","C25 H49 N2 O9 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCCCCCCCC;CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O","InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m1/s1","","2013-01-14","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate","2013-11-13"],["PAU","PANTOTHENOIC ACID","C9 H17 N O5","O=C(NCCC(=O)O)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(O)=O;CC(C)(CO)C(C(=O)NCCC(=O)O)O","InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1","N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE","2004-03-26","2021-03-13","N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine",""],["1F8","2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide","C12 H13 N O2 S","O=C(c1c2ccccc2oc1C)NCCS;Cc1oc2ccccc2c1C(=O)NCCS;Cc1c(c2ccccc2o1)C(=O)NCCS","InChI=1S/C12H13NO2S/c1-8-11(12(14)13-6-7-16)9-4-2-3-5-10(9)15-8/h2-5,16H,6-7H2,1H3,(H,13,14)","","2010-09-08","2024-09-27","2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide",""],["PAV","(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran","C5 H10 O5","OC1(O)C(O)(OCC1O)C;C[C]1(O)OC[CH](O)C1(O)O;CC1(C(C(CO1)O)(O)O)O","InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1","","2004-06-16","2020-07-17","(2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrol (non-preferred name)",""],["1FA","[(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN-\n4-YL)OXY]ACETIC ACID","C32 H27 F3 N2 O4 S","FC(F)(F)c5ccc(C#Cc4nc(C#CCN1CCOCC1)cc(Sc2ccc(OCC(=O)O)c3c2CCC3)c4)cc5;OC(=O)COc1ccc(Sc2cc(nc(c2)C#Cc3ccc(cc3)C(F)(F)F)C#CCN4CCOCC4)c5CCCc15;c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F","InChI=1S/C32H27F3N2O4S/c33-32(34,35)23-9-6-22(7-10-23)8-11-25-20-26(19-24(36-25)3-2-14-37-15-17-40-18-16-37)42-30-13-12-29(41-21-31(38)39)27-4-1-5-28(27)30/h6-7,9-10,12-13,19-20H,1,4-5,14-18,21H2,(H,38,39)","{7-[2-(3-MORPHOLIN-4-YL-PROP-1-YNYL)-6-(4-TRIFLUOROMETHYL-PHENYLETHYNYL) -PYRIDIN-4-YLSULFANYL]-INDAN-4-YLOXY}-ACETIC\nACID","2007-06-06","2020-06-17","[(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]sulfanyl}-2,3-dihydro-1H-inden-4-yl)oxy]acetic acid",""],["PAW","N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE","C8 H23 N5","NCCNCCNCCNCCN;NCCNCCNCCNCCN;C(CNCCNCCNCCN)N","InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2","N1-{2-[2-(2-AMINO-ETHYLAMINO)-ETHYLAMINO]-ETHYL}-ETHANE-1,2-DIAMINE","2006-09-11","2021-03-13","N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine",""],["1FB","1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C15 H16 Cl N5 O","Clc3cccc(Oc2nn(c1ncnc(c12)N)C(C)(C)C)c3;CC(C)(C)n1nc(Oc2cccc(Cl)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl","InChI=1S/C15H16ClN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)","","2013-01-15","2014-01-10","1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-01-15"],["PAX","5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATE","C20 H27 N7 O20 P4","CC1=CN([CH]2C[CH](O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O","InChI=1S/C20H29N7O20P4/c1-8-3-26(20(30)25-18(8)29)12-2-9(10(43-12)4-41-48(31,32)33)45-51(39,40)47-50(37,38)42-5-11-15(46-49(34,35)36)14(28)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28H,2,4-5H2,1H3,(H,37,38)(H,39,40)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)(H2,34,35,36)/p-2/t9-,10+,11+,12+,14+,15+,19+/m0/s1","","2004-07-22","2011-06-04","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-oxido-phosphoryl] phosphate",""],["1FC","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid","C10 H13 F N3 O9 P","O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2F)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)F)N)C(=O)O","InChI=1S/C10H13FN3O9P/c11-5-6(15)4(2-22-24(19,20)21)23-8(5)14-1-3(9(16)17)7(12)13-10(14)18/h1,4-6,8,15H,2H2,(H,16,17)(H2,12,13,18)(H2,19,20,21)/t4-,5+,6-,8-/m1/s1","","2011-11-17","2012-02-10","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid",""],["PAY","OCTANE-1,3,5,7-TETRACARBOXYLIC ACID","C12 H18 O8","O=C(O)C(C)CC(C(=O)O)CC(C(=O)O)CCC(=O)O;C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O;CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7+,8+/m0/s1","(3R,5R,7S)-OCTANE-1,3,5,7-TETRACARBOXYLIC ACID","2007-07-27","2021-03-13","(3R,5R,7S)-octane-1,3,5,7-tetracarboxylic acid",""],["1FD","1-[4-(trifluoromethoxy)phenyl]methanamine","C8 H8 F3 N O","FC(F)(F)Oc1ccc(cc1)CN;NCc1ccc(OC(F)(F)F)cc1;c1cc(ccc1CN)OC(F)(F)F","InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2","","2013-01-15","2013-02-01","1-[4-(trifluoromethoxy)phenyl]methanamine","2013-02-01"],["PAZ","N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine","C9 H18 N O8 P","O=P(OCC(C(O)C(=O)NCCC(=O)O)(C)C)(O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O","InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1","","2007-12-05","2011-06-04","N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine",""],["1FE","N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)glycinamide","C9 H10 N4 O2","O=C(Nc1ccc2c(c1)NC(=O)N2)CN;NCC(=O)Nc1ccc2NC(=O)Nc2c1;c1cc2c(cc1NC(=O)CN)NC(=O)N2","InChI=1S/C9H10N4O2/c10-4-8(14)11-5-1-2-6-7(3-5)13-9(15)12-6/h1-3H,4,10H2,(H,11,14)(H2,12,13,15)","","2013-01-15","2013-02-01","N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)glycinamide","2013-02-01"],["PB","LEAD (II) ION","Pb","Structure should not contain user defined valence;[Pb++];[Pb+2]","InChI=1S/Pb/q+2","","1999-07-08","2011-06-07","lead(2+)",""],["1FF","1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid","C11 H10 N2 O2","O=C(O)c2c(c1ccccc1)n(nc2)C;Cn1ncc(C(O)=O)c1c2ccccc2;Cn1c(c(cn1)C(=O)O)c2ccccc2","InChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)","","2013-01-15","2013-02-01","1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid","2013-02-01"],["PB0","(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide","C36 H50 F2 N4 O5","Fc1cc(cc(F)c1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C)C)CCc3ccccc3)C(O)C4NCC(OCCC)C4;CCCO[CH]1CN[CH](C1)[CH](O)[CH](Cc2cc(F)cc(F)c2)NC(=O)[CH](CCc3ccccc3)N4CC[C](CC(C)C)(NC(C)=O)C4=O;CCCOC1CC(NC1)C(C(Cc2cc(cc(c2)F)F)NC(=O)C(CCc3ccccc3)N4CCC(C4=O)(CC(C)C)NC(=O)C)O","InChI=1S/C36H50F2N4O5/c1-5-15-47-29-20-30(39-22-29)33(44)31(18-26-16-27(37)19-28(38)17-26)40-34(45)32(12-11-25-9-7-6-8-10-25)42-14-13-36(35(42)46,21-23(2)3)41-24(4)43/h6-10,16-17,19,23,29-33,39,44H,5,11-15,18,20-22H2,1-4H3,(H,40,45)(H,41,43)/t29-,30-,31+,32+,33-,36+/m1/s1","","2011-03-21","2011-08-26","(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide",""],["1FG","2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one","C21 H22 N4 O2","O=C1N=C(Nc2ccccc12)CN(C)CC(=O)N4c3ccccc3CCC4;CN(CC(=O)N1CCCc2ccccc12)CC3=NC(=O)c4ccccc4N3;CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4","InChI=1S/C21H22N4O2/c1-24(13-19-22-17-10-4-3-9-16(17)21(27)23-19)14-20(26)25-12-6-8-15-7-2-5-11-18(15)25/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,23,27)","","2013-01-15","2013-02-01","2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one","2013-02-01"],["PB1","3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID","C10 H20 N2 O4","O=C(O)CCC(CN)C(CCN)CC(=O)O;NCC[CH](CC(O)=O)[CH](CN)CCC(O)=O;C(CC(=O)O)C(CN)C(CCN)CC(=O)O","InChI=1S/C10H20N2O4/c11-4-3-7(5-10(15)16)8(6-12)1-2-9(13)14/h7-8H,1-6,11-12H2,(H,13,14)(H,15,16)/t7-,8-/m1/s1","","2003-07-01","2011-06-04","(3R,4S)-3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid",""],["1FH","12-PHENYLHEME","C40 H38 Fe N4 O4","C[CH]1[CH](C=C)C2=Cc3n4[Fe++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C(=C(C=C)C5=C(c7ccccc7)C1=N2)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O","InChI=1S/C40H40N4O4.Fe/c1-7-26-24(6)39-38(25-12-10-9-11-13-25)40-27(8-2)21(3)32(43-40)18-30-22(4)28(14-16-36(45)46)34(41-30)20-35-29(15-17-37(47)48)23(5)31(42-35)19-33(26)44-39;/h7-13,18-20,24,26H,1-2,14-17H2,3-6H3,(H4,41,42,43,44,45,46,47,48);/q;+4/p-2","","2004-05-06","2023-09-23","",""],["1FI","3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide","C13 H11 F3 N4 O","NC(=O)c1nccnc1NCc2ccccc2C(F)(F)F;c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F","InChI=1S/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-20-12-10(11(17)21)18-5-6-19-12/h1-6H,7H2,(H2,17,21)(H,19,20)","","2021-06-09","2021-07-23","3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide","2021-07-28"],["PB2","1-(biphenyl-4-ylmethyl)-1H-imidazole","C16 H14 N2","n1ccn(c1)Cc3ccc(c2ccccc2)cc3;C(n1ccnc1)c2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)Cn3ccnc3","InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2","","2009-02-19","2011-06-04","1-(biphenyl-4-ylmethyl)-1H-imidazole",""],["1FJ","~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide","C17 H13 N3 O2 S3","Cc1cccc(NC(=O)C2=C3NC(=O)c4sccc4N3C(=S)S2)c1C;Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2","InChI=1S/C17H13N3O2S3/c1-8-4-3-5-10(9(8)2)18-16(22)13-14-19-15(21)12-11(6-7-24-12)20(14)17(23)25-13/h3-7H,1-2H3,(H,18,22)(H,19,21)","","2013-01-16","2020-02-12","~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide","2013-09-11"],["PB3","N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE","C22 H22 N4 O2","O=C(c2ncnc(C(=O)NCc1cccc(c1)C)c2)NCc3cccc(c3)C;Cc1cccc(CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(C)c3)c1;Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C","InChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28)","PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)","2004-10-28","2021-03-13","N,N'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide",""],["1FK","1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone","C14 H12 N4 O","O=C(c1cc(c2cc(ccn12)N)c3ncccn3)C;CC(=O)c1cc(c2cc(N)ccn12)c3ncccn3;CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3","InChI=1S/C14H12N4O/c1-9(19)12-8-11(14-16-4-2-5-17-14)13-7-10(15)3-6-18(12)13/h2-8H,15H2,1H3","","2013-01-16","2013-01-18","1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone","2013-01-18"],["PB4","N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE","C22 H20 F2 N4 O2","O=C(c2ncnc(C(=O)NCc1ccc(F)c(c1)C)c2)NCc3ccc(F)c(c3)C;Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(F)c(C)c3)ccc1F;Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F","InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)","PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)","2004-10-28","2020-06-17","N,N'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide",""],["PB5","N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE","C18 H16 N6 O2","O=C(c2ncnc(C(=O)NCc1cccnc1)c2)NCc3cccnc3;O=C(NCc1cccnc1)c2cc(ncn2)C(=O)NCc3cccnc3;c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3","InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)","PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]","2004-10-28","2021-03-13","N,N'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide",""],["1FL","5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID","C13 H8 F2 O3","O=C(O)c1cc(ccc1O)c2ccc(F)cc2F;OC(=O)c1cc(ccc1O)c2ccc(F)cc2F;c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O","InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)","Diflunisal","2005-07-26","2020-06-17","2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid",""],["PB6","3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium","C11 H18 N O6 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(/C=C/CC)c1;CCC=Cc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCC=Cc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C11H17NO6P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(19(13,14)15)20(16,17)18/h3-8,11H,2,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1/b5-3+","","2009-07-31","2011-06-04","3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium",""],["1FM","(3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","C19 H22 O7","O=C1OC(CC=CC(=O)C(O)C(O)CC=Cc2cc(OC)cc(O)c12)C;COc1cc(O)c2C(=O)O[CH](C)CC=CC(=O)[CH](O)[CH](O)CC=Cc2c1;CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O","InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1","(5Z)-7-Oxozeaenol","2013-01-16","2024-09-27","(3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","2013-01-18"],["PB7","(2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide","C38 H50 N4 O5","O=C(NC(Cc1ccccc1)C(O)CNCc2cccc(OC)c2)C(N3C(=O)C(NC(=O)C)(CC3)C(C)CC)CCc4ccccc4;CC[CH](C)[C]1(CCN([CH](CCc2ccccc2)C(=O)N[CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4)C1=O)NC(C)=O;CCC(C)C1(CCN(C1=O)C(CCc2ccccc2)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O)NC(=O)C","InChI=1S/C38H50N4O5/c1-5-27(2)38(41-28(3)43)21-22-42(37(38)46)34(20-19-29-13-8-6-9-14-29)36(45)40-33(24-30-15-10-7-11-16-30)35(44)26-39-25-31-17-12-18-32(23-31)47-4/h6-18,23,27,33-35,39,44H,5,19-22,24-26H2,1-4H3,(H,40,45)(H,41,43)/t27-,33-,34-,35+,38-/m0/s1","","2011-06-24","2011-08-26","(2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide",""],["1FN","1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide","C25 H16 F2 N4 O3","Fc1ccc(cc1)N2C=CC=C(C2=O)C(=O)Nc5ccc(Oc3ccnc4c3ccn4)c(F)c5;Fc1ccc(cc1)N2C=CC=C(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)C2=O;c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F","InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)","","2008-03-03","2011-06-04","1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide",""],["PB8","(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide","C38 H46 F2 N4 O4","Fc1cc(cc(F)c1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C)C)CCc3ccccc3)C(O)C5NCc4ccccc4C5;CC(C)C[C]1(CCN([CH](CCc2ccccc2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH]4Cc5ccccc5CN4)C1=O)NC(C)=O;CC(C)CC1(CCN(C1=O)C(CCc2ccccc2)C(=O)NC(Cc3cc(cc(c3)F)F)C(C4Cc5ccccc5CN4)O)NC(=O)C","InChI=1S/C38H46F2N4O4/c1-24(2)22-38(43-25(3)45)15-16-44(37(38)48)34(14-13-26-9-5-4-6-10-26)36(47)42-33(19-27-17-30(39)21-31(40)18-27)35(46)32-20-28-11-7-8-12-29(28)23-41-32/h4-12,17-18,21,24,32-35,41,46H,13-16,19-20,22-23H2,1-3H3,(H,42,47)(H,43,45)/t32-,33+,34+,35-,38+/m1/s1","","2011-06-24","2011-09-02","(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide",""],["1FO","6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid","C17 H12 F N O5","O=C(c1cc(/C=C/C(=O)C=C(/O)C(=O)O)nc1)c2cccc(F)c2;OC(=O)C(O)=CC(=O)C=Cc1[nH]cc(c1)C(=O)c2cccc(F)c2;c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O","InChI=1S/C17H12FNO5/c18-12-3-1-2-10(6-12)16(22)11-7-13(19-9-11)4-5-14(20)8-15(21)17(23)24/h1-9,19,21H,(H,23,24)/b5-4+,15-8-","","2013-01-17","2013-08-30","(2Z,5E)-6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid","2013-09-04"],["PB9","methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate","C28 H33 N7 O4 S","O=C(OC)N1CCC(CC1)CN(C3Cc2c(ccc(C#N)c2)N(C3)Cc4cncn4C)S(=O)(=O)c5ncccc5;COC(=O)N1CCC(CC1)CN([CH]2CN(Cc3cncn3C)c4ccc(cc4C2)C#N)[S](=O)(=O)c5ccccn5;Cn1cncc1CN2CC(Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5","InChI=1S/C28H33N7O4S/c1-32-20-30-16-25(32)19-34-18-24(14-23-13-22(15-29)6-7-26(23)34)35(40(37,38)27-5-3-4-10-31-27)17-21-8-11-33(12-9-21)28(36)39-2/h3-7,10,13,16,20-21,24H,8-9,11-12,14,17-19H2,1-2H3/t24-/m0/s1","","2007-10-30","2011-06-04","methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate",""],["1FP","piperazine-1-carbaldehyde","C5 H10 N2 O","O=CN1CCNCC1;O=CN1CCNCC1;C1CN(CCN1)C=O","InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2","","2011-04-01","2012-03-16","piperazine-1-carbaldehyde",""],["PBA","PHENYLETHANE BORONIC ACID","C8 H11 B O2","OB(O)CCc1ccccc1;OB(O)CCc1ccccc1;B(CCc1ccccc1)(O)O","InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2","","1999-07-08","2024-09-27","(2-phenylethyl)boronic acid",""],["1FQ","(2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid","C17 H12 F N O5","O=C(c1cc(/C=C/C(=O)C=C(/O)C(=O)O)nc1)c2ccc(F)cc2;OC(=O)C(O)=CC(=O)C=Cc1[nH]cc(c1)C(=O)c2ccc(F)cc2;c1cc(ccc1C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O)F","InChI=1S/C17H12FNO5/c18-12-3-1-10(2-4-12)16(22)11-7-13(19-9-11)5-6-14(20)8-15(21)17(23)24/h1-9,19,21H,(H,23,24)/b6-5+,15-8-","","2013-01-17","2013-08-30","(2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid","2013-09-04"],["PBB","S-(4-BROMOBENZYL)CYSTEINE","C10 H12 Br N O2 S","Brc1ccc(cc1)CSCC(C(=O)O)N;N[CH](CSCc1ccc(Br)cc1)C(O)=O;c1cc(ccc1CSCC(C(=O)O)N)Br","InChI=1S/C10H12BrNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1","","1999-07-08","2011-06-04","S-(4-bromobenzyl)-L-cysteine",""],["1FR","3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol","C23 H22 Cl N3 O2","Clc4cc(cc(c2noc1cnc(cc12)NC(c3ccccc3)C)c4)CCCO;C[CH](Nc1cc2c(onc2c3cc(Cl)cc(CCCO)c3)cn1)c4ccccc4;CC(c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO","InChI=1S/C23H22ClN3O2/c1-15(17-7-3-2-4-8-17)26-22-13-20-21(14-25-22)29-27-23(20)18-10-16(6-5-9-28)11-19(24)12-18/h2-4,7-8,10-15,28H,5-6,9H2,1H3,(H,25,26)/t15-/m0/s1","3-{3-Chloro-5-[5-(1-phenyl-ethylamino)-isoxazolo[5,4-c]pyridin-3-yl]-phenyl}-propan-1-ol","2008-06-16","2020-06-17","3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol",""],["PBC","PHENYL BORONIC ACID","C6 H7 B O2","OB(O)c1ccccc1;OB(O)c1ccccc1;B(c1ccccc1)(O)O","InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H","","2001-08-29","2024-09-27","phenylboronic acid",""],["1FS","2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)","C20 H9 Cl N4 O6","Clc3cc(Oc1ccc([N+]([O-])=O)cc1C#N)c(Oc2ccc([N+]([O-])=O)cc2C#N)cc3;[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Oc3ccc(cc3C#N)[N+]([O-])=O)c(c1)C#N;c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl","InChI=1S/C20H9ClN4O6/c21-14-1-4-19(30-17-5-2-15(24(26)27)7-12(17)10-22)20(9-14)31-18-6-3-16(25(28)29)8-13(18)11-23/h1-9H","","2013-01-17","2015-03-27","2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)","2015-04-01"],["PBD","1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea","C15 H20 N4 O2 S","S=C(NCCCn1ccnc1)Nc2ccc(OC)c(OC)c2;COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC;COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2","InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)","","2010-11-05","2011-06-04","1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea",""],["1FT","4-S-(6-O-phosphono-alpha-L-idopyranosyl)-4-thio-beta-D-glucopyranose","C12 H23 O13 P S","O=P(O)(O)OCC2OC(SC1C(OC(O)C(O)C1O)CO)C(O)C(O)C2O;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O;C(C1C(C(C(C(O1)O)O)O)SC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O","InChI=1S/C12H23O13PS/c13-1-3-10(7(16)8(17)11(19)24-3)27-12-9(18)6(15)5(14)4(25-12)2-23-26(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4+,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1","thiocellobiose-6P","2013-01-17","2020-07-17","4-S-(6-O-phosphono-alpha-L-idopyranosyl)-4-thio-beta-D-glucopyranose","2013-04-24"],["PBE","1,1-DIMETHYL-PROLINIUM","C7 H14 N O2","O=C(O)C1[N+](C)(C)CCC1;C[N+]1(C)CCC[CH]1C(O)=O;C[N+]1(CCCC1C(=O)O)C","InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1","PROLINE BETAINE","2000-04-20","2024-09-27","(2S)-2-carboxy-1,1-dimethylpyrrolidinium",""],["A1B9V","3-[(1S,3S)-1-oxo-2,3-dihydro-1H-1lambda~4~-benzothiophen-3-yl]-L-alanine","C11 H13 N O3 S","O=C(O)C(N)CC1CS(=O)c2ccccc21;N[CH](C[CH]1C[S](=O)c2ccccc12)C(O)=O;c1ccc2c(c1)C(CS2=O)CC(C(=O)O)N","InChI=1S/C11H13NO3S/c12-9(11(13)14)5-7-6-16(15)10-4-2-1-3-8(7)10/h1-4,7,9H,5-6,12H2,(H,13,14)/t7-,9+,16+/m1/s1","","2025-04-14","2026-04-17","3-[(1S,3S)-1-oxo-2,3-dihydro-1H-1lambda~4~-benzothiophen-3-yl]-L-alanine","2026-04-22"],["A1B9Y","4,4'-(thiophene-2,5-diyl)dibenzoic acid","C18 H12 O4 S","O=C(O)c1ccc(cc1)c1ccc(s1)c1ccc(cc1)C(=O)O;OC(=O)c1ccc(cc1)c2sc(cc2)c3ccc(cc3)C(O)=O;c1cc(ccc1c2ccc(s2)c3ccc(cc3)C(=O)O)C(=O)O","InChI=1S/C18H12O4S/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H,19,20)(H,21,22)","","2025-04-15","2025-07-25","4,4'-(thiophene-2,5-diyl)dibenzoic acid","2025-07-30"],["PBF","PARA-(BENZOYL)-PHENYLALANINE","C16 H15 N O3","O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2;N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O;c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N","InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1","","2000-02-22","2024-09-27","4-(phenylcarbonyl)-L-phenylalanine",""],["PBG","3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID","C10 H14 N2 O4","O=C(O)CCc1c(c(nc1)CN)CC(=O)O;NCc1[nH]cc(CCC(O)=O)c1CC(O)=O;c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O","InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)","2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID; PORPHOBILINOGEN;\n5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROLE-3-PROPANOIC ACID","2000-07-14","2020-06-17","3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid",""],["A1B9Z","2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid","C20 H16 O4 S","O=C(O)Cc1ccc(cc1)c1ccc(s1)c1ccc(CC(=O)O)cc1;OC(=O)Cc1ccc(cc1)c2sc(cc2)c3ccc(CC(O)=O)cc3;c1cc(ccc1CC(=O)O)c2ccc(s2)c3ccc(cc3)CC(=O)O","InChI=1S/C20H16O4S/c21-19(22)11-13-1-5-15(6-2-13)17-9-10-18(25-17)16-7-3-14(4-8-16)12-20(23)24/h1-10H,11-12H2,(H,21,22)(H,23,24)","","2025-04-15","2025-07-25","2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid","2025-07-30"],["PBH","(11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one","C34 H40 N6 O4","COc1cc2C(=O)N3CCC[CH]3CNc2cc1OCCCOc4ccc(cc4)c5[nH]c6cc(ccc6n5)N7CCN(C)CC7;CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCCC7CN6","InChI=1S/C34H40N6O4/c1-38-13-15-39(16-14-38)24-8-11-28-30(19-24)37-33(36-28)23-6-9-26(10-7-23)43-17-4-18-44-32-21-29-27(20-31(32)42-2)34(41)40-12-3-5-25(40)22-35-29/h6-11,19-21,25,35H,3-5,12-18,22H2,1-2H3,(H,36,37)/t25-/m0/s1","","2010-02-24","2011-06-04","(6aS)-2-methoxy-3-[3-[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]propoxy]-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",""],["A1BAA","2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol","C12 H18 N4 O","CCC(CC)(CO)Nc1ncnc2[NH]ccc21;CCC(CC)(CO)Nc1ncnc2[nH]ccc12;CCC(CC)(CO)Nc1c2cc[nH]c2ncn1","InChI=1S/C12H18N4O/c1-3-12(4-2,7-17)16-11-9-5-6-13-10(9)14-8-15-11/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16)","","2024-09-24","2025-06-06","2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol","2025-06-11"],["PBI","[2-AMINOMETHYL-5-OXO-4-(4-OXO-CYCLOHEXA-2,5-DIENYLMETHYL)-4,5-DIHYDRO-IMIDAZOL-1-YL] -ACETALDEHYDE","C13 H15 N3 O3","O=C1C=CC(C=C1)CC2N=C(N(C2=O)CC=O)CN;NCC1=N[CH](CC2C=CC(=O)C=C2)C(=O)N1CC=O;C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O","InChI=1S/C13H15N3O3/c14-8-12-15-11(13(19)16(12)5-6-17)7-9-1-3-10(18)4-2-9/h1-4,6,9,11H,5,7-8,14H2/t11-/m0/s1","","1999-09-07","2011-06-04","{(4S)-2-(aminomethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-1-yl}acetaldehyde",""],["A1BAE","(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","C14 H15 N5 O","OCC(Cc1ccccn1)Nc1ncnc2[NH]ccc21;OC[CH](Cc1ccccn1)Nc2ncnc3[nH]ccc23;c1ccnc(c1)CC(CO)Nc2c3cc[nH]c3ncn2","InChI=1S/C14H15N5O/c20-8-11(7-10-3-1-2-5-15-10)19-14-12-4-6-16-13(12)17-9-18-14/h1-6,9,11,20H,7-8H2,(H2,16,17,18,19)/t11-/m0/s1","","2024-09-24","2025-06-06","(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol","2025-06-11"],["PBK","5'-O-[(R)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine","C22 H36 N5 O8 P","P(OC(=O)CCCCCCCCCCC)(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(O)C3O;CCCCCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C22H36N5O8P/c1-2-3-4-5-6-7-8-9-10-11-16(28)35-36(31,32)33-12-15-18(29)19(30)22(34-15)27-14-26-17-20(23)24-13-25-21(17)27/h13-15,18-19,22,29-30H,2-12H2,1H3,(H,31,32)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1","","2010-11-08","2015-11-25","5'-O-[(R)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine",""],["PBL","pentane-2,2,4,4-tetrol","C5 H12 O4","OC(O)(C)CC(O)(O)C;CC(O)(O)CC(C)(O)O;CC(CC(C)(O)O)(O)O","InChI=1S/C5H12O4/c1-4(6,7)3-5(2,8)9/h6-9H,3H2,1-2H3","","2010-05-24","2011-06-04","pentane-2,2,4,4-tetrol",""],["A1BAF","N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide","C70 H83 Cl2 F6 N9 O15","Clc1ccc(c(F)c1)c1c(c[NH]c1/C=C/C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(c(F)cc1)c1ccc(N2CC(C)N(C)C(C)C2)c(NC(=O)C2=CNC(=O)C=C2C(F)(F)F)c1)C(=O)NC(CC(=O)N)c1ccc(F)c(Cl)c1;C[CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5[nH]cc(C(=O)N[CH](CC(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F;CC1CN(CC(N1C)C)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C=Cc5c(c(c[nH]5)C(=O)NC(CC(=O)N)c6ccc(c(c6)Cl)F)c7ccc(cc7F)Cl","InChI=1S/C70H83Cl2F6N9O15/c1-44-42-87(43-45(2)86(44)3)62-12-6-46(36-61(62)85-68(92)52-40-83-65(90)38-54(52)70(76,77)78)51-34-48(5-9-56(51)73)67(91)81-15-17-95-19-21-97-23-25-99-27-29-101-31-33-102-32-30-100-28-26-98-24-22-96-20-18-94-16-14-80-64(89)13-11-59-66(50-8-7-49(71)37-58(50)75)53(41-82-59)69(93)84-60(39-63(79)88)47-4-10-57(74)55(72)35-47/h4-13,34-38,40-41,44-45,60,82H,14-33,39,42-43H2,1-3H3,(H2,79,88)(H,80,89)(H,81,91)(H,83,90)(H,84,93)(H,85,92)/b13-11+/t44-,45+,60-/m0/s1","OICR-41114","2024-09-25","2024-11-01","N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide","2024-11-06"],["PBM","TRIMETHYL LEAD ION","C3 H9 Pb","[Pb+](C)(C)C;C[Pb+](C)C;C[Pb+](C)C","InChI=1S/3CH3.Pb/h3*1H3;/q;;;+1","","1999-07-08","2011-06-04","trimethylplumbanylium",""],["A1BAQ","[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","C13 H18 N4 O","OCC1CC(C)CCN1c1ncnc2[NH]ccc12;C[CH]1CCN([CH](CO)C1)c2ncnc3[nH]ccc23;CC1CCN(C(C1)CO)c2c3cc[nH]c3ncn2","InChI=1S/C13H18N4O/c1-9-3-5-17(10(6-9)7-18)13-11-2-4-14-12(11)15-8-16-13/h2,4,8-10,18H,3,5-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1","","2024-09-25","2025-06-06","[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","2025-06-11"],["PBN","4-PHENYLBUTYLAMINE","C10 H15 N","c1ccccc1CCCCN;NCCCCc1ccccc1;c1ccc(cc1)CCCCN","InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2","","1999-07-08","2011-06-04","4-phenylbutan-1-amine",""],["A1BAR","[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","C13 H18 N4 O","OCC1CCC(C)CN1c1ncnc2[NH]ccc12;C[CH]1CC[CH](CO)N(C1)c2ncnc3[nH]ccc23;CC1CCC(N(C1)c2c3cc[nH]c3ncn2)CO","InChI=1S/C13H18N4O/c1-9-2-3-10(7-18)17(6-9)13-11-4-5-14-12(11)15-8-16-13/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1","","2024-09-25","2025-06-06","[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol","2025-06-11"],["PBO","1-PYRIDIN-3-YLBUTAN-1-ONE","C9 H11 N O","O=C(c1cccnc1)CCC;CCCC(=O)c1cccnc1;CCCC(=O)c1cccnc1","InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3","","2003-07-15","2011-06-04","1-pyridin-3-ylbutan-1-one",""],["A1BAU","(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol","C14 H20 N4 O2","OC1CCC(O)(CC1)CNc1ncnc2[NH]cc(C)c21;Cc1c[nH]c2ncnc(NC[C]3(O)CC[CH](O)CC3)c12;Cc1c[nH]c2c1c(ncn2)NCC3(CCC(CC3)O)O","InChI=1S/C14H20N4O2/c1-9-6-15-12-11(9)13(18-8-17-12)16-7-14(20)4-2-10(19)3-5-14/h6,8,10,19-20H,2-5,7H2,1H3,(H2,15,16,17,18)/t10-,14-","","2024-09-25","2025-06-06","(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol","2025-06-11"],["PBP","p-Bromophenacyl bromide","C8 H6 Br2 O","C(C(c1ccc(cc1)Br)=O)Br;BrCC(=O)c1ccc(Br)cc1;c1cc(ccc1C(=O)CBr)Br","InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2","","1999-07-08","2024-09-27","2-bromo-1-(4-bromophenyl)ethan-1-one",""],["A1BAV","4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol","C13 H18 N4 O2","OC1(CNc2ncnc3[NH]cc(C)c32)CCOCC1;Cc1c[nH]c2ncnc(NCC3(O)CCOCC3)c12;Cc1c[nH]c2c1c(ncn2)NCC3(CCOCC3)O","InChI=1S/C13H18N4O2/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)2-4-19-5-3-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17)","","2024-09-25","2025-06-06","4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol","2025-06-11"],["PBQ","PENTABROMOPSEUDILIN","C10 H4 Br5 N O","Brc2c(c1cc(Br)cc(Br)c1O)nc(Br)c2Br;Oc1c(Br)cc(Br)cc1c2[nH]c(Br)c(Br)c2Br;c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br","InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H","","2008-03-25","2011-06-04","2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol",""],["A1BAY","2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol","C15 H22 N4 O","CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12;CC(C)(O)[CH]1N(CCC1(C)C)c2ncnc3[nH]ccc23;CC1(CCN(C1C(C)(C)O)c2c3cc[nH]c3ncn2)C","InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m1/s1","","2024-09-25","2025-06-06","2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol","2025-06-11"],["A1BAZ","2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol","C15 H22 N4 O","CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12;CC(C)(O)[CH]1N(CCC1(C)C)c2ncnc3[nH]ccc23;CC1(CCN(C1C(C)(C)O)c2c3cc[nH]c3ncn2)C","InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m0/s1","","2024-09-25","2025-06-06","2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol","2025-06-11"],["PBR","PENTABROMOPHENOL","C6 H Br5 O","Brc1c(O)c(Br)c(Br)c(Br)c1Br;Oc1c(Br)c(Br)c(Br)c(Br)c1Br;c1(c(c(c(c(c1Br)Br)Br)Br)Br)O","InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H","","2000-07-07","2011-06-04","pentabromophenol",""],["PBS","(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL","C32 H63 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCC)O)O","InChI=1S/C32H63NO9/c1-3-5-7-9-10-11-12-13-14-15-17-18-20-25(35)28(37)24(33-27(36)21-19-16-8-6-4-2)23-41-32-31(40)30(39)29(38)26(22-34)42-32/h24-26,28-32,34-35,37-40H,3-23H2,1-2H3,(H,33,36)/t24-,25+,26+,28-,29-,30-,31+,32-/m0/s1","","2005-04-11","2011-06-04","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide",""],["PBT","[3-HYDROXY-5-(5-METHYL-2,4-DIOXOTETRAHYDRO-1(2H)-PYRIMIDINYL)TETRAHYDRO-2-FURANYL]METHYL DIHYDROGEN PHOSPHATE","C10 H17 N2 O8 P","O=C1N(CC(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O;C[CH]1CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,7-,8-/m1/s1","","2001-10-04","2011-06-04","5'-thymidylic acid",""],["A1BBB","5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)","C10 H15 N2 O10 P","O=P(O)(O)OCC1OC(N2C=C(CO)C(=O)NC2=O)C(O)C1O;OCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)CO","InChI=1S/C10H15N2O10P/c13-2-4-1-12(10(17)11-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h1,5-7,9,13-15H,2-3H2,(H,11,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1","5-(hydroxymethyl)uridine 5'-monophosphate","2024-09-29","2025-01-31","5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)","2025-02-05"],["PBU","(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1\n,2-DIYL DIBUTANOATE","C17 H33 O19 P3","O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCC;CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC","InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13+,14+,15-,16-,17-/m1/s1","di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate; di-C4-PIP2","2006-05-25","2020-06-17","(2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate",""],["PBV","6-ethylpyridin-2-amine","C7 H10 N2","c1(nc(N)ccc1)CC;CCc1cccc(N)n1;CCc1cccc(n1)N","InChI=1S/C7H10N2/c1-2-6-4-3-5-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)","","2019-08-07","2020-10-02","6-ethylpyridin-2-amine","2020-10-07"],["A1BBF","[(3R,4R)-4-hydroxy-1-{[5-(hydroxymethyl)pyridin-3-yl]methyl}pyrrolidin-3-yl]methyl dihydrogen phosphate","C12 H19 N2 O6 P","O=P(O)(O)OCC1CN(Cc2cncc(CO)c2)CC1O;OCc1cncc(CN2C[CH](O)[CH](CO[P](O)(O)=O)C2)c1;c1c(cncc1CO)CN2CC(C(C2)O)COP(=O)(O)O","InChI=1S/C12H19N2O6P/c15-7-10-1-9(2-13-3-10)4-14-5-11(12(16)6-14)8-20-21(17,18)19/h1-3,11-12,15-16H,4-8H2,(H2,17,18,19)/t11-,12+/m1/s1","","2024-09-29","2025-01-31","[(3R,4R)-4-hydroxy-1-{[5-(hydroxymethyl)pyridin-3-yl]methyl}pyrrolidin-3-yl]methyl dihydrogen phosphate","2025-02-05"],["PBW","(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol","C7 H14 O6","OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7-","","2020-04-20","2024-09-27","(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol","2021-04-28"],["PBX","4-bromobenzene-1,2,3-triol","C6 H5 Br O3","Brc1ccc(O)c(O)c1O;Oc1ccc(Br)c(O)c1O;c1cc(c(c(c1O)O)O)Br","InChI=1S/C6H5BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-2,8-10H","","2012-07-30","2013-07-19","4-bromobenzene-1,2,3-triol","2013-07-24"],["PBY","N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine","C10 H9 Cl N4","c1(cc(ccc1)Cl)Nc2cc(N)ncn2;Nc1cc(Nc2cccc(Cl)c2)ncn1;c1cc(cc(c1)Cl)Nc2cc(ncn2)N","InChI=1S/C10H9ClN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)","","2019-08-07","2020-10-02","N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine","2020-10-07"],["A1BBU","4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","C14 H20 N4","CC(C)(C)C1CCCN1c1ncnc2[NH]ccc12;CC(C)(C)[CH]1CCCN1c2ncnc3[nH]ccc23;CC(C)(C)C1CCCN1c2c3cc[nH]c3ncn2","InChI=1S/C14H20N4/c1-14(2,3)11-5-4-8-18(11)13-10-6-7-15-12(10)16-9-17-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,16,17)/t11-/m1/s1","","2024-10-01","2025-06-06","4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","2025-06-11"],["PBZ","P-AMINO BENZAMIDINE","C7 H10 N3","N/C(c1ccc(N)cc1)=[NH2+];NC(=[NH2+])c1ccc(N)cc1;c1cc(ccc1C(=[NH2+])N)N","InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1","","1999-07-08","2011-06-04","amino(4-aminophenyl)methaniminium",""],["A1BBV","N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide","C26 H23 N3 O3","N#Cc1cccc(CC(=O)Nc2ccc3c(CCCN3C(=O)c3ccccc3)c2)c1OC;COc1c(CC(=O)Nc2ccc3N(CCCc3c2)C(=O)c4ccccc4)cccc1C#N;COc1c(cccc1C#N)CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c4ccccc4","InChI=1S/C26H23N3O3/c1-32-25-20(9-5-10-21(25)17-27)16-24(30)28-22-12-13-23-19(15-22)11-6-14-29(23)26(31)18-7-3-2-4-8-18/h2-5,7-10,12-13,15H,6,11,14,16H2,1H3,(H,28,30)","","2024-10-01","2024-10-11","N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide","2024-10-16"],["PC","PHOSPHOCHOLINE","C5 H15 N O4 P","O=P(O)(O)OCC[N+](C)(C)C;C[N+](C)(C)CCO[P](O)(O)=O;C[N+](C)(C)CCOP(=O)(O)O","InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1","","1999-07-08","2024-09-27","N,N,N-trimethyl-2-(phosphonooxy)ethanaminium",""],["PC0","1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA","C16 H19 F N4 O S","S=C(Nc1ncc(cc1)C)NCCc2nccc(OCC)c2F;CCOc1ccnc(CCNC(=S)Nc2ccc(C)cn2)c1F;CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C","InChI=1S/C16H19FN4OS/c1-3-22-13-7-9-18-12(15(13)17)6-8-19-16(23)21-14-5-4-11(2)10-20-14/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,19,20,21,23)","","2006-07-17","2011-06-04","1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea",""],["A1BBZ","(2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol","C10 H14 N4 O","CC(O)C(C)Nc1ncnc2[NH]ccc21;C[CH](O)[CH](C)Nc1ncnc2[nH]ccc12;CC(C(C)O)Nc1c2cc[nH]c2ncn1","InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7-/m1/s1","","2024-10-01","2025-06-06","(2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol","2025-06-11"],["A1BCA","(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione","C13 H15 N3 O2","O=C1NC(=O)NC21CCN(C2)Cc1ccccc1;O=C1NC(=O)[C]2(CCN(Cc3ccccc3)C2)N1;c1ccc(cc1)CN2CCC3(C2)C(=O)NC(=O)N3","InChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)/t13-/m0/s1","","2024-10-03","2025-05-30","(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione","2025-06-04"],["PC1","1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C44 H88 N O8 P","O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1","3-SN-PHOSPHATIDYLCHOLINE","2003-07-09","2021-03-01","(2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate",""],["A1BCB","ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate","C13 H15 N O4","O=C(OCC)C(C)N1c2ccccc2OCC1=O;CCOC(=O)[CH](C)N1C(=O)COc2ccccc12;CCOC(=O)C(C)N1c2ccccc2OCC1=O","InChI=1S/C13H15NO4/c1-3-17-13(16)9(2)14-10-6-4-5-7-11(10)18-8-12(14)15/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1","","2024-10-03","2025-05-30","ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate","2025-06-04"],["PC2","DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE","C44 H89 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1","","1999-08-31","2012-08-20","(4S,7R)-4-hydroxy-N,N,N-trimethyl-7-(octadecanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide",""],["PC3","COPROPORPHYRIN I CONTAINING CO(III)","C36 H36 Co N4 O8","O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C6=Cc8c(c(c7C=C1N2[Co](n34)(N56)n78)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C;Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[Co]468)C(=C7C)CCC(O)=O)c(CCC(O)=O)c5C)C(=C3C)CCC(O)=O;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C","InChI=1S/C36H36N4O8.Co/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q-4;+4/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-;","","2003-06-23","2011-06-04","[3,3',3'',3'''-(3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt",""],["A1BCE","(1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol","C13 H18 N4 O2","OC1CCC(O)(CC1)CNc1ncnc2[NH]ccc21;O[CH]1CC[C](O)(CC1)CNc2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)NCC3(CCC(CC3)O)O","InChI=1S/C13H18N4O2/c18-9-1-4-13(19,5-2-9)7-15-12-10-3-6-14-11(10)16-8-17-12/h3,6,8-9,18-19H,1-2,4-5,7H2,(H2,14,15,16,17)/t9-,13-","","2024-10-03","2025-06-06","(1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol","2025-06-11"],["PC4","TETRACHLOROPLATINATE(II)","Cl4 Pt","Cl[Pt-2](Cl)(Cl)Cl;Cl[Pt--](Cl)(Cl)Cl;Cl[Pt-2](Cl)(Cl)Cl","InChI=1S/4ClH.Pt/h4*1H;/q;;;;+2/p-4","","2004-02-19","2025-11-11","tetrachloroplatinate(2-)",""],["A1BCF","1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide","C12 H14 N4 O2 S","CN(Cc1nccs1)C(=O)C=1C=CC(=O)N(CC)N=1;CCN1N=C(C=CC1=O)C(=O)N(C)Cc2sccn2;CCN1C(=O)C=CC(=N1)C(=O)N(C)Cc2nccs2","InChI=1S/C12H14N4O2S/c1-3-16-11(17)5-4-9(14-16)12(18)15(2)8-10-13-6-7-19-10/h4-7H,3,8H2,1-2H3","","2024-10-04","2024-10-11","1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide","2024-10-16"],["PC5","1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE","C18 H36 N O6 P S2","O=C(OC(COP([S-])(=S)OCC[N+](C)(C)C)COC(=O)CCCC)CCCC;CCCCC(=O)OC[CH](CO[P]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC;CCCCC(=O)OCC(COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC","InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1","","2003-05-02","2012-01-05","O-[(2R)-2,3-bis(pentanoyloxy)propyl] O-[2-(trimethylammonio)ethyl] dithiophosphate",""],["A1BCQ","1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one","C15 H12 Br N3 O2","Brc1ccc(cc1)Cc1nc(CN2C=CC=CC2=O)no1;Brc1ccc(Cc2onc(CN3C=CC=CC3=O)n2)cc1;c1cc(ccc1Cc2nc(no2)CN3C=CC=CC3=O)Br","InChI=1S/C15H12BrN3O2/c16-12-6-4-11(5-7-12)9-14-17-13(18-21-14)10-19-8-2-1-3-15(19)20/h1-8H,9-10H2","","2024-10-04","2024-10-11","1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one","2024-10-16"],["PC6","7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE","C45 H90 N O8 P","O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P]([O-])(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1","","2005-05-12","2011-06-04","(2R)-3-(dodecanoyloxy)-2-(pentacosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate",""],["A1BCR","N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide","C9 H8 N4 O2 S","O=C(NCC=1C=CC(=O)NN=1)c1cscn1;O=C1NN=C(CNC(=O)c2cscn2)C=C1;c1c(ncs1)C(=O)NCC2=NNC(=O)C=C2","InChI=1S/C9H8N4O2S/c14-8-2-1-6(12-13-8)3-10-9(15)7-4-16-5-11-7/h1-2,4-5H,3H2,(H,10,15)(H,13,14)","","2024-10-04","2024-10-11","N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide","2024-10-16"],["PC7","(7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE","C42 H85 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m0/s1","PHOSPHATIDYLCHOLINE; 1-PALMITOYL-2-STEAROYL-PC","2006-06-29","2020-06-17","(4R,7S)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide",""],["A1BCT","1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one","C16 H18 Cl N5 O2","O=C(CC)N1CCOCC1c1cc(cc(Cl)c1)c1ncnc(N)n1;CCC(=O)N1CCOC[CH]1c2cc(Cl)cc(c2)c3ncnc(N)n3;CCC(=O)N1CCOCC1c2cc(cc(c2)Cl)c3ncnc(n3)N","InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)","","2024-10-04","2024-10-18","1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one","2024-10-23"],["PC8","1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C24 H49 N O8 P","O=C(OCC(OC(=O)CCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC","InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/p+1/t22-/m1/s1","","2004-07-27","2011-06-04","(4R,7R)-4-hydroxy-N,N,N-trimethyl-7-(octanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptadecan-1-aminium 4-oxide",""],["A1BCU","(2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C14 H20 N2 O16 P2","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(=O)C(O)C2O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[CH]2OCC(=O)[CH](O)[CH]2O)N3C=CC(=O)NC3=O;C1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O","InChI=1S/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t6-,8+,9-,10-,11-,12-,13-/m1/s1","Uridine-diphosphate-4-keto-D-xylose","2024-10-06","2025-02-28","(2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2025-03-05"],["A1BCY","N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C21 H28 N4 O5 S","CS(=O)(=O)CCC(C=N)NC(=O)C(CC1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC3CC3)C(=O)N[CH](CC[S](C)(=O)=O)C=N;COc1cccc2c1cc([nH]2)C(=O)NC(CC3CC3)C(=O)NC(CCS(=O)(=O)C)C=N","InChI=1S/C21H28N4O5S/c1-30-19-5-3-4-16-15(19)11-18(24-16)21(27)25-17(10-13-6-7-13)20(26)23-14(12-22)8-9-31(2,28)29/h3-5,11-14,17,22,24H,6-10H2,1-2H3,(H,23,26)(H,25,27)/b22-12+/t14-,17-/m0/s1","","2024-10-07","2025-04-25","N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2025-04-30"],["PC9","(7R,14S)-14,15-DIBROMO-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE","C42 H83 Br2 N O8 P","BrC(CCCCCCCCCCC)C(Br)CCCCC(=O)OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCC[CH](Br)[CH](Br)CCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC(C(CCCCCCCCCCC)Br)Br","InChI=1S/C42H82Br2NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-32-41(46)50-36-38(37-52-54(48,49)51-35-34-45(3,4)5)53-42(47)33-29-28-31-40(44)39(43)30-26-24-22-20-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3/p+1/t38-,39+,40+/m1/s1","6,7-DIBROMO-PHOSPHATIDYLCHOLINE","2006-06-27","2021-03-13","(4S,7R,14S,15S)-14,15-dibromo-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide",""],["PCA","PYROGLUTAMIC ACID","C5 H7 N O3","O=C(O)C1NC(=O)CC1;OC(=O)[CH]1CCC(=O)N1;C1CC(=O)NC1C(=O)O","InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1","","1999-07-08","2024-09-27","5-oxo-L-proline",""],["A1BCZ","N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C23 H29 N5 O4","COc1cccc2[NH]c(cc12)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)C=N;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC3CC3)C(=O)N[CH](C[CH]4CCNC4=O)C=N;COc1cccc2c1cc([nH]2)C(=O)NC(CC3CC3)C(=O)NC(CC4CCNC4=O)C=N","InChI=1S/C23H29N5O4/c1-32-20-4-2-3-17-16(20)11-19(27-17)23(31)28-18(9-13-5-6-13)22(30)26-15(12-24)10-14-7-8-25-21(14)29/h2-4,11-15,18,24,27H,5-10H2,1H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15+,18-/m0/s1","","2024-10-07","2025-04-25","N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2025-04-30"],["PCB","4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL","C14 H10 Cl4 O4 S2","Clc2cc(c(Cl)cc2c1c(Cl)cc(c(Cl)c1)S(=O)(=O)C)S(=O)(=O)C;C[S](=O)(=O)c1cc(Cl)c(cc1Cl)c2cc(Cl)c(cc2Cl)[S](C)(=O)=O;CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl","InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3","","1999-07-08","2011-06-04","2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl",""],["A1BDA","5-chloro-2,3-dihydro-1H-inden-1-one","C9 H7 Cl O","Clc1ccc2C(=O)CCc2c1;Clc1ccc2C(=O)CCc2c1;c1cc2c(cc1Cl)CCC2=O","InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2","5-chloro-1-indanone","2024-10-14","2024-11-22","5-chloro-2,3-dihydro-1H-inden-1-one","2024-11-27"],["PCC","5-OXOPROLINE","C5 H7 N O3","O=C(O)C1NC(=O)CC1;OC(=O)[CH]1CCC(=O)N1;C1CC(=O)NC1C(=O)O","InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/f/h6,8H","PYROGLUTAMIC ACID","1999-07-08","2009-01-07","5-oxo-L-proline",""],["PCD","(MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V)","C19 H26 Mo N8 O16 P2 S2","O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C4=C(C5C(O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O","InChI=1S/C19H26N8O13P2S2.Mo.H2O.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;1H2;;/q;+2;;;/p-2/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1","MOLYBDENUM COFACTOR; MOCO","1999-07-08","2023-09-23","[[(1~{R},10~{R},16~{R})-5-azanyl-13-$l^{3}-oxidanyl-7-oxidanyl-13,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{7}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,6,11(15)-tetraen-16-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate",""],["A1BDE","N~6~-L-seryl-L-lysine","C9 H19 N3 O4","O=C(NCCCCC(N)C(=O)O)C(N)CO;N[CH](CO)C(=O)NCCCC[CH](N)C(O)=O;C(CCNC(=O)C(CO)N)CC(C(=O)O)N","InChI=1S/C9H19N3O4/c10-6(9(15)16)3-1-2-4-12-8(14)7(11)5-13/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)/t6-,7-/m0/s1","","2024-10-15","2025-05-30","N~6~-L-seryl-L-lysine","2025-06-04"],["PCE","2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTYL)-PENT-4-YNOIC ACID","C15 H25 N O3","O=C(O)C(CC#C)CC(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)[CH](O)C[CH](CC#C)C(O)=O;C#CCC(CC(C(CC1CCCCC1)N)O)C(=O)O","InChI=1S/C15H25NO3/c1-2-6-12(15(18)19)10-14(17)13(16)9-11-7-4-3-5-8-11/h1,11-14,17H,3-10,16H2,(H,18,19)/t12-,13+,14-/m1/s1","","1999-07-08","2011-06-04","(2R,4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-yn-1-ylhexanoic acid",""],["PCF","1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE","C40 H80 N O8 P","O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1","","2002-09-09","2011-06-04","(2R)-2,3-bis(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate",""],["A1BDO","N-[2-(6-methylpyridin-3-yl)ethyl]aniline","C14 H16 N2","Cc1ccc(CCNc2ccccc2)cn1;Cc1ccc(CCNc2ccccc2)cn1;Cc1ccc(cn1)CCNc2ccccc2","InChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3","","2024-10-15","2024-10-25","N-[2-(6-methylpyridin-3-yl)ethyl]aniline","2024-10-30"],["PCG","CYCLIC GUANOSINE MONOPHOSPHATE","C10 H12 N5 O7 P","O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O;c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N","InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","1999-07-08","2024-09-27","2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one",""],["PCH","3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-4-YLOXY)BUTAN-2-OL","C15 H24 N2 O2","O(c1ccncc1)CC(O)C(N)CC2CCCCC2;N[CH](CC1CCCCC1)[CH](O)COc2ccncc2;c1cnccc1OCC(C(CC2CCCCC2)N)O","InChI=1S/C15H24N2O2/c16-14(10-12-4-2-1-3-5-12)15(18)11-19-13-6-8-17-9-7-13/h6-9,12,14-15,18H,1-5,10-11,16H2/t14-,15-/m0/s1","","2000-09-25","2011-06-04","(2R,3S)-3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol",""],["PCI","PENTACHLOROPHENOL","C6 H Cl5 O","Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl;Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O","InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H","","2005-01-14","2011-06-04","pentachlorophenol",""],["A1BDV","(2H-1,3-benzodioxol-5-yl)methanol","C8 H8 O3","OCc1ccc2OCOc2c1;OCc1ccc2OCOc2c1;c1cc2c(cc1CO)OCO2","InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2","piperonyl alcohol","2024-10-18","2024-11-22","(2H-1,3-benzodioxol-5-yl)methanol","2024-11-27"],["PCJ","(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE","C54 H105 N O6 S","O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCCC)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CO)CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)NC(CO)CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C54H105NO6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(57)55-50(46-56)48-62-49-51(61-54(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-60-53(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h50-51,56H,4-49H2,1-3H3,(H,55,57)/t50-,51+/m0/s1","","2007-09-19","2024-09-27","(2R)-3-{[(2S)-2-(hexadecanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl dihexadecanoate",""],["A1BDW","(1,4-phenylene)dimethanol","C8 H10 O2","OCc1ccc(CO)cc1;OCc1ccc(CO)cc1;c1cc(ccc1CO)CO","InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2","","2024-10-18","2024-11-22","(1,4-phenylene)dimethanol","2024-11-27"],["PCK","(7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P\nHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE","C44 H85 Br4 N O8 P","BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O;CCCCCCCC[CH](Br)[CH](Br)CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC;CCCCCCCCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br","InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/p+1/t38-,39-,40+,41+,42+/m1/s1","TETRABROMINATED PHOSPHATIDYLCHOLINE; 1,2-DISTEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOCHOLINE","2006-06-30","2020-06-17","(4R,7R,18S,19R)-18,19-dibromo-7-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide",""],["A1BDX","(1-benzofuran-5-yl)methanol","C9 H8 O2","OCc1cc2ccoc2cc1;OCc1ccc2occc2c1;c1cc2c(cco2)cc1CO","InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2","","2024-10-18","2024-11-22","(1-benzofuran-5-yl)methanol","2024-11-27"],["A1BEA","(2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name)","C60 H80 F3 N11 O6 S","CN1C(C2CC2)C1C(=O)N1CCC2(CCN(C2)C(C(C)C)C(=O)NC2Cc3nc(cs3)c3ccc4n(CC(F)(F)F)c(c5cc(cnc5C(C)OC)N5CCN(CC5)C5CC5)c(CC(C)(C)COC(=O)C5CCCN(N5)C2=O)c4c3)C1;CO[CH](C)c1ncc(cc1c2n(CC(F)(F)F)c3ccc4cc3c2CC(C)(C)COC(=O)[CH]5CCC[N](N5)C(=O)[CH](Cc6scc4n6)NC(=O)[CH](C(C)C)N7CC[C]8(CCN(C8)C(=O)[CH]9[CH](C%10CC%10)N9C)C7)N%11CCN(CC%11)C%12CC%12;CC(C)C(C(=O)NC1Cc2nc(cs2)-c3ccc4c(c3)c(c(n4CC(F)(F)F)c5cc(cnc5C(C)OC)N6CCN(CC6)C7CC7)CC(COC(=O)C8CCCN(C1=O)N8)(C)C)N9CCC1(C9)CCN(C1)C(=O)C1C(N1C)C1CC1","InChI=1S/C60H80F3N11O6S/c1-35(2)50(71-19-16-59(31-71)17-20-72(32-59)56(77)53-51(68(53)6)37-10-11-37)54(75)66-45-27-48-65-46(30-81-48)38-12-15-47-41(25-38)43(28-58(4,5)34-80-57(78)44-9-8-18-74(67-44)55(45)76)52(73(47)33-60(61,62)63)42-26-40(29-64-49(42)36(3)79-7)70-23-21-69(22-24-70)39-13-14-39/h12,15,25-26,29-30,35-37,39,44-45,50-51,53,67H,8-11,13-14,16-24,27-28,31-34H2,1-7H3,(H,66,75)/t36-,44?,45?,50?,51?,53?,59+,68+/m1/s1","","2024-10-24","2025-07-18","(2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name)","2025-07-23"],["PCL","PLATINUM(II) DI-CHLORIDE","Cl2 Pt","Cl[Pt]Cl;Cl[Pt]Cl;Cl[Pt]Cl","InChI=1S/2ClH.Pt/h2*1H;/q;;+2/p-2","","1999-07-08","2011-06-04","platinum(2+) dichloride",""],["PCM","1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N","C32 H42 N4 O7","O=C(N2CC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH]2CN(CC2=O)C(=O)[CH](CC(C)C)NC(=O)OCc3ccccc3;CC(C)CC(C(=O)NC1CN(CC1=O)C(=O)C(CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1","","1999-07-08","2024-09-27","N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxopyrrolidin-3-yl]-L-leucinamide",""],["A1BEB","2-Methyllysine","C7 H16 N2 O2","NC(C)(CCCCN)C(=O)O;C[C](N)(CCCCN)C(O)=O;CC(CCCCN)(C(=O)O)N","InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)/t7-/m0/s1","","2024-10-25","2025-01-03","2-methyl-L-lysine","2025-01-08"],["PCN","2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","C14 H19 N5 O5 S2","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)/C(=NOC)c2nc(sc2)N;CON=C(C(=O)N[CH](C=O)[CH]1N[CH](C(O)=O)C(C)(C)S1)c2csc(N)n2;CC1(C(NC(S1)C(C=O)NC(=O)C(=NOC)c2csc(n2)N)C(=O)O)C","InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8-/t6-,9+,11-/m1/s1","","2002-05-07","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["A1BEE","5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide","C30 H36 N6 O3","O=C(Cn1cc(cn1)c1cc(C(C)NC(=O)c2cc(OCCN(C)C)ccc2C)c2ccccc2n1)N(C)C;C[CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(nc3ccccc23)c4cnn(CC(=O)N(C)C)c4;Cc1ccc(cc1C(=O)NC(C)c2cc(nc3c2cccc3)c4cnn(c4)CC(=O)N(C)C)OCCN(C)C","InChI=1S/C30H36N6O3/c1-20-11-12-23(39-14-13-34(3)4)15-25(20)30(38)32-21(2)26-16-28(33-27-10-8-7-9-24(26)27)22-17-31-36(18-22)19-29(37)35(5)6/h7-12,15-18,21H,13-14,19H2,1-6H3,(H,32,38)","","2024-10-28","2025-01-17","5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide","2025-01-22"],["A1BEF","5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide","C29 H34 N6 O","Cn1cc(cn1)c1nc2ccccc2c(c1)C(C)NC(=O)c1cc(ccc1C)N1CC(C)N(C)CC1;C[CH]1CN(CCN1C)c2ccc(C)c(c2)C(=O)N[CH](C)c3cc(nc4ccccc34)c5cnn(C)c5;Cc1ccc(cc1C(=O)NC(C)c2cc(nc3c2cccc3)c4cnn(c4)C)N5CCN(C(C5)C)C","InChI=1S/C29H34N6O/c1-19-10-11-23(35-13-12-33(4)20(2)17-35)14-25(19)29(36)31-21(3)26-15-28(22-16-30-34(5)18-22)32-27-9-7-6-8-24(26)27/h6-11,14-16,18,20-21H,12-13,17H2,1-5H3,(H,31,36)","","2024-10-28","2025-01-17","5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide","2025-01-22"],["PCO","2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE","C11 H20 N2 O4 S","O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NC=CS;CC(C)(CO)C(C(=O)NCCC(=O)NC=CS)O","InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1","PANTOTHENOYLAMINOETHENETHIOL","2002-10-01","2021-03-01","(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide",""],["PCP","1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE","C6 H15 O13 P3","O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O;O[CH]1[CH](O)[CH](C[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O;C1C(C(C(C1OP(=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O","InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1","CARBOXYLIC PRPP; CPRPP","1999-07-08","2020-06-17","(1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate",""],["A1BEQ","2-({1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-4-yl}amino)quinazolin-4(3H)-one","C24 H26 N4 O3","O=C(N1CCC(NC2=Nc3ccccc3C(=O)N2)CC1)C1(CC1)c1ccc(OC)cc1;COc1ccc(cc1)C2(CC2)C(=O)N3CCC(CC3)NC4=Nc5ccccc5C(=O)N4;COc1ccc(cc1)C2(CC2)C(=O)N3CCC(CC3)NC4=Nc5ccccc5C(=O)N4","InChI=1S/C24H26N4O3/c1-31-18-8-6-16(7-9-18)24(12-13-24)22(30)28-14-10-17(11-15-28)25-23-26-20-5-3-2-4-19(20)21(29)27-23/h2-9,17H,10-15H2,1H3,(H2,25,26,27,29)","","2024-11-01","2024-12-06","2-({1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-4-yl}amino)quinazolin-4(3H)-one","2024-12-11"],["PCQ","3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL","C12 H6 Cl4 O2","Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2;Oc1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2;c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl","InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H","","2000-11-03","2011-06-04","3,3',5,5'-tetrachlorobiphenyl-4,4'-diol",""],["A1BET","ethynyl-benzothiophene-cobalamin","C72 H94 Co N13 O14 P S","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#Cc7sc8ccccc8c7)[N]9C(=C(C)C%10=[N+]6C(=C5)[CH](CCC(N)=O)[C]%10(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12cnc%13cc(C)c(C)cc%12%13;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C(C1(C)C)CCC(=O)N)C)C#Cc1cc2ccccc2s1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.C10H5S.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-9-7-8-5-3-4-6-10(8)11-9;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);3-7H;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1","1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-1-[2-(2,3,3~{a},6-tetrahydro-1-benzothiophen-2-yl)ethynyl]-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl [(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate","2024-11-01","2025-09-19","[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-1-[2-(1-benzothiophen-2-yl)ethynyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl hydrogen phosphate","2025-09-24"],["PCR","P-CRESOL","C7 H8 O","Oc1ccc(cc1)C;Cc1ccc(O)cc1;Cc1ccc(cc1)O","InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3","","1999-11-30","2011-06-04","4-methylphenol",""],["PCS","PHENYLALANYLMETHYLCHLORIDE","C10 H12 Cl N O","ClCC(=O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(=O)CCl;c1ccc(cc1)CC(C(=O)CCl)N","InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1","","2000-04-05","2024-11-25","(3S)-3-amino-1-chloro-4-phenylbutan-2-one",""],["PCT","PHOSPHONOACETAMIDE","C2 H6 N O4 P","O=C(N)CP(=O)(O)O;NC(=O)C[P](O)(O)=O;C(C(=O)N)P(=O)(O)O","InChI=1S/C2H6NO4P/c3-2(4)1-8(5,6)7/h1H2,(H2,3,4)(H2,5,6,7)","","2001-01-24","2011-06-04","(2-amino-2-oxoethyl)phosphonic acid",""],["AUS","(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide","C14 H18 N2 O2","O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4;C1CCc2c(c(no2)NC(=O)C3CC34CCC4)C1","InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1","","2021-12-06","2022-12-09","(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide","2022-12-14"],["PCU","CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN","C44 H36 Cu N8","c56C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)(n9%10)n%11%12;CN1C=CC(C=C1)=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C=C%12;CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1","InChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;/q-4;+4","","1999-07-08","2011-06-04","[5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper",""],["AUT","[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine","C15 H15 Cl2 N","CCc1ccccc1c2c(Cl)cc(CN)cc2Cl;CCc1ccccc1c2c(cc(cc2Cl)CN)Cl","InChI=1S/C15H15Cl2N/c1-2-11-5-3-4-6-12(11)15-13(16)7-10(9-18)8-14(15)17/h3-8H,2,9,18H2,1H3","","2017-08-23","2018-02-23","[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine","2018-02-28"],["AUU","(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid","C8 H13 N O2","C(C1(C2CCC(C1)C2)N)(=O)O;N[C]1(C[CH]2CC[CH]1C2)C(O)=O;C1CC2CC1CC2(C(=O)O)N","InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1","","2018-11-21","2019-03-22","(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid","2019-03-27"],["PCV","5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID","C8 H14 N2 O4","O=C1N(C(C(=O)O)C(O)CCN)CC1;NCC[CH](O)[CH](N1CCC1=O)C(O)=O;C1CN(C1=O)C(C(CCN)O)C(=O)O","InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1","PROCLAVAMINIC ACID","2000-01-21","2021-03-01","5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid",""],["PCW","1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C44 H85 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCC=C/CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1","(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE","2004-04-28","2021-03-13","(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",""],["AUV","3-(2-hydroxyphenyl)benzoic acid","C13 H10 O3","OC(=O)c1cccc(c1)c2ccccc2O;c1ccc(c(c1)c2cccc(c2)C(=O)O)O","InChI=1S/C13H10O3/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8,14H,(H,15,16)","","2017-07-27","2018-01-05","3-(2-hydroxyphenyl)benzoic acid","2018-01-10"],["PCX","DEOXYGUANIDINOPROCLAVAMINIC ACID","C9 H16 N4 O3","O=C(O)C(N1C(=O)CC1)CCCNC(=[N@H])N;NC(=N)NCCC[CH](N1CCC1=O)C(O)=O;[H]N=C(N)NCCCC(C(=O)O)N1CCC1=O","InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1","","2002-02-12","2011-06-04","(2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid",""],["AUW","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine","C24 H23 Cl2 N3","CCc1ccccc1c2c(Cl)cc(CNCCc3[nH]c4ccccc4n3)cc2Cl;CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl","InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)","","2017-08-23","2018-02-23","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine","2018-02-28"],["PCY","Pactamycin","C28 H38 N4 O8","O=C(c1cc(ccc1)NC2C(O)(C(O)(C(NC(=O)N(C)C)(C2N)C(O)C)C)COC(=O)c3c(cccc3O)C)C;C[CH](O)[C]1(NC(=O)N(C)C)[CH](N)[CH](Nc2cccc(c2)C(C)=O)[C](O)(COC(=O)c3c(C)cccc3O)[C]1(C)O;Cc1cccc(c1C(=O)OCC2(C(C(C(C2(C)O)(C(C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O","InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1","","2000-12-15","2014-10-07","{(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[(dimethylcarbamoyl)amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl}methyl 2-hydroxy-6-methylbenzoate",""],["AUX","4-METHYL-4-[8-QUINOLINIUM-4-ENE]-4,N-METHYL-THREONINE","C21 H29 N2 O3","CN[CH]([CH](O)[CH](C)CC=CCCC[n+]1cccc2ccccc12)C(O)=O;CC(CC=CCCC[n+]1cccc2c1cccc2)C(C(C(=O)O)NC)O","InChI=1S/C21H28N2O3/c1-16(20(24)19(22-2)21(25)26)10-5-3-4-8-14-23-15-9-12-17-11-6-7-13-18(17)23/h3,5-7,9,11-13,15-16,19-20,22,24H,4,8,10,14H2,1-2H3/p+1/b5-3+/t16-,19+,20-/m1/s1","","2015-05-14","2024-09-27","(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-10-quinolin-1-ium-1-yl-dec-6-enoic acid","2015-12-29"],["PCZ","(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H15 N5 O5 S2","O=CC(C1N=C(C(=C)CS1)C(=O)O)NC(=O)C(=N/OC)c2csc(n2)N;CON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O","InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1","CEFOTAXIME PRODUCT, OPEN FORM; PCNOTAXIME GROUP","2004-12-16","2018-12-05","(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["AUY","3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid","C12 H12 N2 O2 S","Cc1csc(CNc2cnccc2C(O)=O)c1;Cc1cc(sc1)CNc2cnccc2C(=O)O","InChI=1S/C12H12N2O2S/c1-8-4-9(17-7-8)5-14-11-6-13-3-2-10(11)12(15)16/h2-4,6-7,14H,5H2,1H3,(H,15,16)","","2015-11-30","2016-01-22","3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid","2016-01-27"],["PD","PALLADIUM ION","Pd","[Pd+2];[Pd++];[Pd+2]","InChI=1S/Pd/q+2","","2002-01-15","2011-06-04","palladium(2+)",""],["AUZ","bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)","C24 H24 Au2 N4 O2","Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12;Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C","InChI=1S/2C12H12N2.2Au.2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h2*3-8H,1-2H3;;;;/q;;2*+2;;","","2017-01-16","2019-09-05","","2017-05-31"],["AV0","Lauryl Maltose Neopentyl Glycol","C47 H88 O22","C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O;CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1","2,2-didecylpropane-1,3-bis-b-D-maltopyranoside; 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2018-11-21","2023-12-01","2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2019-03-27"],["PD1","1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA","C28 H41 N7 O3","O=C(NC(C)(C)C)Nc1nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC)CC;CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3;CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC","InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)","PD 173074","1999-07-14","2020-06-17","1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea",""],["PD2","PYRIDINE-2,4-DICARBOXYLIC ACID","C7 H5 N O4","O=C(O)c1nccc(C(=O)O)c1;OC(=O)c1ccnc(c1)C(O)=O;c1cnc(cc1C(=O)O)C(=O)O","InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)","","2006-04-07","2011-06-04","pyridine-2,4-dicarboxylic acid",""],["AV1","[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C15 H22 Br N5 O13 P2","O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3c(Br)nc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O)O)O)O)N","InChI=1S/C15H22BrN5O13P2/c16-15-20-8-12(17)18-4-19-13(8)21(15)14-11(25)10(24)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(23)5(22)1-30-6/h4-7,9-11,14,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,17,18,19)/p-2/t5-,6+,7+,9-,10+,11+,14+/m0/s1","8-BROMOADENOSINE-5'-O-DIPHOSPHORIBOSE","2011-09-07","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["PD3","1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea","C25 H24 F3 N7 O","FC(F)(F)c1cc(ccc1)NC(=O)Nc2cccc(c2)Cc4nn(c3ncnc(c34)N)C5CCCC5;Nc1ncnc2n(nc(Cc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)c12)C5CCCC5;c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N","InChI=1S/C25H24F3N7O/c26-25(27,28)16-6-4-8-18(13-16)33-24(36)32-17-7-3-5-15(11-17)12-20-21-22(29)30-14-31-23(21)35(34-20)19-9-1-2-10-19/h3-8,11,13-14,19H,1-2,9-10,12H2,(H2,29,30,31)(H2,32,33,36)","","2008-10-06","2011-06-04","1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea",""],["AV2","ADENOSINE-5'-DIPHOSPHATE-2',3'-VANADATE","C10 H14 N5 O12 P2 V","O=[V]1(OC2C(OC(C2O1)COP(=O)(O)OP(=O)(O)O)n3c4ncnc(N)c4nc3)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[V](O)(=O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N","InChI=1S/C10H13N5O10P2.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);1H2;;/q-2;;;+3/p-1/t4-,6-,7-,10-;;;/m1.../s1","","2002-08-05","2012-01-05","[adenosinato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium",""],["PD4","6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one","C24 H32 N6 O4","O=C3N(c4nc(c1ccc(OC)nc1)ccc4N=C3NCCN2CCOCC2)CCOCCC;CCCOCCN1C(=O)C(=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4;CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4","InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27)","","2009-05-13","2011-08-25","6-(6-methoxypyridin-3-yl)-2-{[2-(morpholin-4-yl)ethyl]amino}-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one",""],["AV3","4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline","C25 H27 F N4 O3","c12CC(C)=Nc1ccc(c2F)Oc4c3cc(OC)c(cc3ncn4)OCCCN5CCCC5;COc1cc2c(Oc3ccc4N=C(C)Cc4c3F)ncnc2cc1OCCCN5CCCC5;CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC","InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,13-15H,3-5,8-12H2,1-2H3","Cediranib","2018-11-26","2020-06-17","4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline","2020-01-01"],["PD5","1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea","C22 H20 F3 N7 O","FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(c3nn(c2ncnc(c23)N)C(C)C)cc4;CC(C)n1nc(c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c4c(N)ncnc14;CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N","InChI=1S/C22H20F3N7O/c1-12(2)32-20-17(19(26)27-11-28-20)18(31-32)13-6-8-15(9-7-13)29-21(33)30-16-5-3-4-14(10-16)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28)(H2,29,30,33)","1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea","2008-10-06","2020-06-17","1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea",""],["AV4","3-[3-(dimethylamino)phenyl]benzoic acid","C15 H15 N O2","CN(C)c1cccc(c1)c2cccc(c2)C(O)=O;CN(C)c1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18)","","2017-07-27","2018-01-05","3-[3-(dimethylamino)phenyl]benzoic acid","2018-01-10"],["AV5","2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid","C20 H14 Cl N3 O3","CC1=Nc2c(nc3ccccc3c2C(=O)N1CC(O)=O)c4ccc(Cl)cc4;CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O","InChI=1S/C20H14ClN3O3/c1-11-22-19-17(20(27)24(11)10-16(25)26)14-4-2-3-5-15(14)23-18(19)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3,(H,25,26)","","2017-08-23","2018-05-04","2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid","2018-05-09"],["PD6","5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one","C18 H19 N3 O","CCCCN1C=CC(=O)c2c(N)nc(cc12)c3ccccc3;CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3","InChI=1S/C18H19N3O/c1-2-3-10-21-11-9-16(22)17-15(21)12-14(20-18(17)19)13-7-5-4-6-8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,19,20)","","2009-05-13","2012-01-05","",""],["AV6","4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol","C17 H14 N2 O2","N=3c2cccc1cccc(c12)NC=3c4ccc(O)c(O)c4;Oc1ccc(cc1O)C2Nc3cccc4cccc(N2)c34;c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O","InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H","4-{2,4-DIAZATRICYCLO[7.3.1.0]TRIDECA- 1(12),5,7,9(13),10-PENTAEN-3-YL}BENZENE-1,2-DIOL","2011-05-03","2020-06-17","4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol",""],["PD7","(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate","C17 H33 O8 P","O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O;CCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCC;CCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCC","InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1","","2007-12-07","2011-06-04","(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate",""],["AV7","3-(3-acetamidophenyl)benzoic acid","C15 H13 N O3","CC(=O)Nc1cccc(c1)c2cccc(c2)C(O)=O;CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C15H13NO3/c1-10(17)16-14-7-3-5-12(9-14)11-4-2-6-13(8-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)","","2017-07-27","2018-01-05","3-(3-acetamidophenyl)benzoic acid","2018-01-10"],["PD8","PHOSPHORYLATED DIHYDROPTEROATE","C14 H13 N6 O6 P","O=P(O)(O)OC(=O)c1ccc(cc1)NCc2nc3C(=O)NC(=Nc3nc2)N;NC1=Nc2ncc(CNc3ccc(cc3)C(=O)O[P](O)(O)=O)nc2C(=O)N1;c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N","InChI=1S/C14H13N6O6P/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)26-27(23,24)25/h1-4,6,16H,5H2,(H2,23,24,25)(H3,15,17,19,20,21)","","2004-08-31","2011-06-04","(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl dihydrogen phosphate",""],["PD9","(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide","C14 H15 N3 O5","CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N;CCN(CC)C(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C#N","InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+","","2015-10-30","2019-07-05","(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide","2019-07-10"],["AV8","2-carboxamido-2-deacetyl-chelocardin","C21 H20 N2 O7","Cc1ccc2c(C)c3C[CH]4[CH](N)C(=C(C(N)=O)C(=O)[C]4(O)C(=O)c3c(O)c2c1O)O;Cc1ccc2c(c3c(c(c2c1O)O)C(=O)C4(C(C3)C(C(=C(C4=O)C(=O)N)O)N)O)C","InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,14,24-26,30H,5,22H2,1-2H3,(H2,23,29)/t10-,14+,21-/m1/s1","(4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,11,12a-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4a,5-dihydro-4H-tetracene-2-carboxamide; amido-chelocardin","2017-08-24","2023-07-28","(4~{S},4~{a}~{R},12~{a}~{R})-4-azanyl-6,9-dimethyl-3,10,11,12~{a}-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4~{a},5-dihydro-4~{H}-tetracene-2-carboxamide","2023-08-02"],["PDA","2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID","C11 H17 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C;C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O","InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1","PYRIDOXYL-ALANINE-5-PHOSPHATE","1999-07-08","2021-03-01","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine",""],["AV9","TIVOZANIB","C22 H19 Cl N4 O5","O=C(N=C1/C=C(ON1)C)Nc4ccc(Oc2c3cc(OC)c(OC)cc3ncc2)cc4Cl;COc1cc2nccc(Oc3ccc(NC(=O)N=C4NOC(=C4)C)c(Cl)c3)c2cc1OC;CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1","InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)","1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea","2012-04-30","2021-03-13","1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea","2012-09-21"],["AVA","3-pyridin-2-ylbenzoic acid","C12 H9 N O2","OC(=O)c1cccc(c1)c2ccccn2;c1ccnc(c1)c2cccc(c2)C(=O)O","InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)","","2017-07-27","2018-01-05","3-pyridin-2-ylbenzoic acid","2018-01-10"],["PDB","1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C15 H12 Cl F3 N4 O","FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccccc3Cl;C[CH](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F;CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F","InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1","","2009-10-08","2013-11-05","1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",""],["PDC","PYRIDINE-2,6-DICARBOXYLIC ACID","C7 H5 N O4","O=C(O)c1nc(C(=O)O)ccc1;OC(=O)c1cccc(n1)C(O)=O;c1cc(nc(c1)C(=O)O)C(=O)O","InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)","DIPICOLINIC ACID","1999-07-08","2025-05-20","pyridine-2,6-dicarboxylic acid",""],["AVB","(3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide","C11 H14 Br N3 O","Brc1ccc(NC(=O)[CH]2CCCNC2)nc1;c1cc(ncc1Br)NC(=O)C2CCCNC2","InChI=1S/C11H14BrN3O/c12-9-3-4-10(14-7-9)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,14,15,16)/t8-/m1/s1","","2017-08-24","2017-11-24","(3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide","2017-11-29"],["PDD","N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE","C11 H17 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C;C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O","InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1","","2002-03-18","2024-09-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alanine",""],["AVC","ADENOSINE-5'-MONOPHOSPHATE-2',3'-VANADATE","C10 H13 N5 O9 P V","O=[V]1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[V](O)(=O)O[CH]34;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)O)O[V](=O)(O4)O)N","InChI=1S/C10H12N5O7P.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;/h2-4,6-7,10H,1H2,(H2,11,12,13)(H2,18,19,20);1H2;;/q-2;;;+3/p-1/t4-,6-,7-,10-;;;/m1.../s1","","2002-07-25","2011-06-04","[5'-adenylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium",""],["PDE","PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE","C13 H17 N2 O8 P","O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NC(C(=O)O)C;C[CH](NC(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O)C(O)=O;CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1","","2002-01-07","2011-06-04","N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-L-alanine",""],["AVD","1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C23 H12 Cl2 F2 N2 O5","Fc1cc(F)cc(Cl)c1Nc4c(Cl)cc2c(C(=O)C(=CN2c3ccccc3C(=O)O)C(=O)O)c4;OC(=O)C1=CN(c2ccccc2C(O)=O)c3cc(Cl)c(Nc4c(F)cc(F)cc4Cl)cc3C1=O;c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O","InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)","","2008-03-11","2011-06-04","1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",""],["AVE","4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid","C16 H8 Cl F5 N2 O5","O=C(c1cc(F)c(F)cc1Cl)NC(=O)Nc2ccc(C(=O)O)cc2OC(F)(F)F;OC(=O)c1ccc(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c(OC(F)(F)F)c1;c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F","InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28)","4-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-3-(trifluoromethoxy)benzoic acid","2008-03-10","2020-06-17","4-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-3-(trifluoromethoxy)benzoic acid",""],["PDF","4,4-difluoro-L-proline","C5 H7 F2 N O2","O=C(O)C1NCC(F)(F)C1;OC(=O)[CH]1CC(F)(F)CN1;C1C(NCC1(F)F)C(=O)O","InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1","","2008-10-07","2024-09-27","4,4-difluoro-L-proline","2015-06-17"],["PDG","N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID","C13 H19 N2 O9 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(=O)O)O","InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m1/s1","N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE","2005-04-25","2020-06-17","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-glutamic acid",""],["AVF","1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid","C20 H17 Cl F3 N3 O4","Fc1cc(c(Cl)cc1F)C(=O)NC(=O)Nc2cc(F)ccc2N3CCC(C(=O)O)CC3;OC(=O)C1CCN(CC1)c2ccc(F)cc2NC(=O)NC(=O)c3cc(F)c(F)cc3Cl;c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O","InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)","1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid","2008-03-11","2020-06-17","1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid",""],["PDH","(2S)-2-AMINO-3-PHENYL-1-PROPANOL","C9 H13 N O","OCC(N)Cc1ccccc1;N[CH](CO)Cc1ccccc1;c1ccc(cc1)CC(CO)N","InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1","D-PHENYLALANINOL","2001-11-16","2020-06-17","(2R)-2-amino-3-phenylpropan-1-ol",""],["AVG","2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID","C6 H14 N2 O3","O=C(O)C(N)CCOCCN;NCCOCC[CH](N)C(O)=O;C(COCCN)C(C(=O)O)N","InChI=1S/C6H14N2O3/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1","","2001-03-26","2011-06-04","O-(2-aminoethyl)-L-homoserine",""],["PDI","PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER","C3 H9 O5 P","O=P(O)(O)OCCCO;OCCCO[P](O)(O)=O;C(CO)COP(=O)(O)O","InChI=1S/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)","","2000-03-08","2011-06-04","3-hydroxypropyl dihydrogen phosphate",""],["AVH","(1R,2R,4R)-4-ethenylcyclohexane-1,2-diol","C8 H14 O2","C1(CCC(C=C)CC1O)O;O[CH]1CC[CH](C[CH]1O)C=C;C=CC1CCC(C(C1)O)O","InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7?,8-/m1/s1","","2016-11-11","2024-09-27","(1R,2R,4R)-4-ethenylcyclohexane-1,2-diol","2017-10-11"],["PDJ","(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE","C38 H75 N O5 S","O=C(OC(CSCC(N)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](N)CO)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(CSCC(CO)N)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C38H75NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)43-32-36(34-45-33-35(39)31-40)44-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,40H,3-34,39H2,1-2H3/t35-,36-/m1/s1","","2007-09-19","2011-06-04","(2R)-3-{[(2R)-2-amino-3-hydroxypropyl]sulfanyl}propane-1,2-diyl dihexadecanoate",""],["AVI","N,N-dimethyl-L-histidine","C8 H13 N3 O2","O=C(O)C(N(C)C)Cc1ncnc1;CN(C)[CH](Cc1c[nH]cn1)C(O)=O;CN(C)C(Cc1c[nH]cn1)C(=O)O","InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1","","2014-05-12","2014-11-28","N,N-dimethyl-L-histidine","2014-12-03"],["PDK","(10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide","C47 H87 N4 O17 P","O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O;CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC","InChI=1S/C47H87N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-46(61)65-38-40(68-47(62)26-24-22-20-18-16-14-12-10-8-6-4-2)39-67-69(63,64)66-32-27-48-41(52)33-50(35-43(55)56)30-28-49(34-42(53)54)29-31-51(36-44(57)58)37-45(59)60/h40H,3-39H2,1-2H3,(H,48,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,63,64)/t40-/m1/s1","PE-DTPA","2009-09-30","2021-03-01","(10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide",""],["AVJ","N,N,N-trimethyl-histidine","C9 H16 N3 O2","O=C(O)C(Cc1cncn1)[N+](C)(C)C;C[N+](C)(C)[CH](Cc1[nH]cnc1)C(O)=O;C[N+](C)(C)C(Cc1cnc[nH]1)C(=O)O","InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1","Hercynine","2014-12-11","2020-06-17","(1S)-1-carboxy-2-(1H-imidazol-5-yl)-N,N,N-trimethylethanaminium","2015-01-28"],["PDL","N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE","C11 H17 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C;C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O","InChI=1/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1/f/h15,17-18H","","2002-03-18","2009-01-07","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine",""],["AVK","~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine","C18 H18 Cl N3","Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3;c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3","InChI=1S/C18H18ClN3/c19-17-12-14(13-20-9-8-18-21-10-11-22-18)6-7-16(17)15-4-2-1-3-5-15/h1-7,10-12,20H,8-9,13H2,(H,21,22)","","2017-08-24","2018-02-23","~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine","2018-02-28"],["PDM","4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID","C14 H16 N2 O5","O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O;O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O;c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O","InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1","PARA-PHENYL DIMALEMIDE","2002-02-06","2024-09-27","(4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid",""],["AVL","2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one","C14 H18 N2 O","O=C(c1c2ccccn2nc1C(C)C)C(C)C;CC(C)C(=O)c1c2ccccn2nc1C(C)C;CC(C)c1c(c2ccccn2n1)C(=O)C(C)C","InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3","","2012-08-28","2013-09-27","2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one","2013-10-02"],["PDN","17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE","C21 H26 O5","O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4(O)C(O)=CO)C;C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(O)=CO;CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C","InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,11,14-15,18,22,25-26H,3-4,6,8,10H2,1-2H3/b17-11-/t14-,15-,18+,19-,20-,21-/m0/s1","PREDNISONE; 1,4 PREGNADIENE-17ALPHA,21-DIOL-3,11,20-TRIONE; 1-CORTISONE; DEHYDROCORTISONE","2001-06-04","2020-06-17","(8alpha,14beta,17alpha,20Z)-17,20,21-trihydroxypregna-1,4,20-triene-3,11-dione",""],["AVM","3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid","C24 H18 N2 O3","CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3ccc4cccnc4c3)C(O)=O;CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3","InChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29)","","2017-07-27","2018-01-05","3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid","2018-01-10"],["AVN","(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID","C5 H7 Cl N2 O3","ClC1=NOC(C(C(=O)O)N)C1;N[CH]([CH]1CC(=NO1)Cl)C(O)=O;C1C(ON=C1Cl)C(C(=O)O)N","InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1","ACIVICIN","2007-09-24","2024-09-27","(2S)-amino[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]ethanoic acid",""],["PDO","1,3-PROPANDIOL","C3 H8 O2","OCCCO;OCCCO;C(CO)CO","InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","","1999-07-08","2024-09-27","propane-1,3-diol",""],["PDP","PYRIDOXAL-5'-DIPHOSPHATE","C8 H11 N O9 P2","O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C;Cc1ncc(CO[P](O)(=O)O[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)OP(=O)(O)O)C=O)O","InChI=1S/C8H11NO9P2/c1-5-8(11)7(3-10)6(2-9-5)4-17-20(15,16)18-19(12,13)14/h2-3,11H,4H2,1H3,(H,15,16)(H2,12,13,14)","","1999-07-08","2024-09-27","(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl trihydrogen diphosphate",""],["AVO","Pyrrolidinohistidine","C10 H17 N3 O2","OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCCC2;c1c([nH]c[nH+]1)CC(C(=O)O)[NH+]2CCCC2","InChI=1S/C10H15N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1","","2018-02-05","2018-06-08","(2~{S})-3-(1~{H}-imidazol-3-ium-5-yl)-2-pyrrolidin-1-ium-1-yl-propanoic acid","2018-06-13"],["PDQ","3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione","C18 H24 F N5 O2","O=C2c1cc(F)c(c(c1N(C(=O)N2N)C3CC3)C)N4CCC(C(N)C)C4;C[CH](N)[CH]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=O)c3cc2F;Cc1c2c(cc(c1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4)N","InChI=1S/C18H24FN5O2/c1-9-15-13(17(25)24(21)18(26)23(15)12-3-4-12)7-14(19)16(9)22-6-5-11(8-22)10(2)20/h7,10-12H,3-6,8,20-21H2,1-2H3/t10-,11+/m0/s1","","2010-03-01","2011-06-04","3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione",""],["AVP","ACYCLOVIR TRIPHOSPHATE","C8 H14 N5 O12 P3","NC1=Nc2n(COCCO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14)","","1999-07-08","2011-06-04","2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate",""],["AVQ","2-[(2,5-DICHLOROBENZYL)SULFANYL]-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL","C13 H10 Cl2 N4 O S","Clc1cc(c(Cl)cc1)CSc2nc3nc(cc(O)n3n2)C;Cc1cc(O)n2nc(SCc3cc(Cl)ccc3Cl)nc2n1;Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O","InChI=1S/C13H10Cl2N4OS/c1-7-4-11(20)19-12(16-7)17-13(18-19)21-6-8-5-9(14)2-3-10(8)15/h2-5,20H,6H2,1H3","","2011-08-02","2014-09-05","2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol",""],["PDR","3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine","C17 H15 Cl N4 O2","Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc4ncc3;COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1OC;Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl","InChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20)","","2010-03-02","2011-06-04","3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine",""],["PDS","3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","C27 H28 N4 O2","O=C5C(c2c1ccccc1nc2C)=C(c4c3ccccc3n(c4C)CCCN(C)C)C(=O)N5;CN(C)CCCn1c(C)c(c2ccccc12)C3=C(C(=O)NC3=O)c4c(C)[nH]c5ccccc45;Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C","InChI=1S/C27H28N4O2/c1-16-22(18-10-5-7-12-20(18)28-16)24-25(27(33)29-26(24)32)23-17(2)31(15-9-14-30(3)4)21-13-8-6-11-19(21)23/h5-8,10-13,28H,9,14-15H2,1-4H3,(H,29,32,33)","","2006-08-11","2011-06-04","3-{1-[3-(dimethylamino)propyl]-2-methyl-1H-indol-3-yl}-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["AVR","(2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one","C13 H17 N3 O","O=C(c1c2ccccn2nc1C(C)C)C(N)C;CC(C)c1nn2ccccc2c1C(=O)[CH](C)N;CC(C)c1c(c2ccccn2n1)C(=O)C(C)N","InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3/t9-/m1/s1","(R)-2-amino-1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one","2009-09-11","2020-06-17","(2R)-2-amino-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one",""],["PDT","1,3-PROPANEDITHIOL","C3 H8 S2","SCCCS;SCCCS;C(CS)CS","InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2","","1999-07-08","2011-06-04","propane-1,3-dithiol",""],["AVT","2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid","C21 H16 F N3 O4","COc1ccc(cc1)c2nc3ccc(F)cc3c4C(=O)N(CC(O)=O)C(=Nc24)C;CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O","InChI=1S/C21H16FN3O4/c1-11-23-20-18(21(28)25(11)10-17(26)27)15-9-13(22)5-8-16(15)24-19(20)12-3-6-14(29-2)7-4-12/h3-9H,10H2,1-2H3,(H,26,27)","","2017-08-24","2019-02-27","2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid","2018-05-09"],["PDU","5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE","C12 H15 N2 O8 P","CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC#CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C12H15N2O8P/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","1999-07-08","2021-07-21","[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-prop-1-ynyl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",""],["AVU","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl\n[(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C15 H22 F N5 O12 P2","FC1C(O)C(OC1)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](F)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)F)O)O)O)N","InChI=1S/C15H22FN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,8-,10+,11-,12-,15-/m1/s1","arabinosyl-2-fluoro-deoxy-adenosine diphosphate ribose, ara-2'F-ADPR","2009-07-14","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["PDV","Divanadate ion","H O7 V2","O[V]1([O-])([O-])O[V]([O-])([O-])O1;O[V]1(O[V](O1)([O-])[O-])([O-])[O-]","InChI=1S/H2O.6O.2V/h1H2;;;;;;;;/q;;;4*-1;;+1/p-1","","2008-11-14","2011-06-07","2,2,4,4-tetrakis(oxidanidyl)-2-oxidanyl-1,3-dioxa-2$l^{5},4$l^{4}-divanadacyclobutane",""],["AVV","[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl\n[(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C15 H22 F N5 O13 P2","O=P(OCC1OCC(O)C1O)(O)OP(=O)(O)OCC4OC(n3cnc2c(nc(F)nc23)N)C(O)C4O;Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O)O)O)O)F)N","InChI=1S/C15H22FN5O13P2/c16-15-19-12(17)8-13(20-15)21(4-18-8)14-11(25)10(24)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(23)5(22)1-30-6/h4-7,9-11,14,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,17,19,20)/t5-,6+,7+,9-,10+,11+,14+/m0/s1","2-fluoro-adenosine diphosphate ribose, 2F-ADPRI","2009-07-14","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["PDW","methyl D-prolinate","C6 H11 N O2","O=C(OC)C1NCCC1;COC(=O)[CH]1CCCN1;COC(=O)C1CCCN1","InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1","","2011-11-30","2024-09-27","methyl D-prolinate","2012-11-16"],["AVW","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C15 H22 F N5 O12 P2","FC1C(O)C(OC1)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](F)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)F)O)O)O)N","InChI=1S/C15H22FN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1","ribosyl-2-fluoro-deoxy-adenosine diphosphate ribose; ribo-2'F-ADPR","2009-07-14","2021-03-13","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["PDX","2,3-di-O-sulfo-alpha-D-glucopyranose","C6 H12 O12 S2","O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O)CO;OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O","InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1","2,3-di-O-sulfo-alpha-D-glucose; 2,3-di-O-sulfo-D-glucose; 2,3-di-O-sulfo-glucose","2002-10-23","2020-07-17","2,3-di-O-sulfo-alpha-D-glucopyranose",""],["AVX","3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine","C11 H10 Br N3 O2","Brc1cc(cc2OCOc12)c3nn(c(N)c3)C;Cn1nc(cc1N)c2cc(Br)c3OCOc3c2;Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N","InChI=1S/C11H10BrN3O2/c1-15-10(13)4-8(14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5,13H2,1H3","","2010-09-29","2011-06-04","3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine",""],["AVY","(1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C31 H48 N4 O10 S","C(CC1CCNC1=O)(C(S(O)(=O)=O)O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(=O)OC(C)(C)C)=O;CC(C)C[CH](NC(=O)OC1(CCN(CC1)C(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3","InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27+/m0/s1","bound form","2017-07-28","2024-09-27","(1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["PDY","N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine","C20 H26 N6 O","n3c(NC1CCCNC1)c(c(Nc2ccc(OCC)cc2)n4nccc34)C;CCOc1ccc(Nc2n3nccc3nc(N[CH]4CCCNC4)c2C)cc1;CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)NC4CCCNC4)C","InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1","{5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine","2009-05-19","2021-03-13","N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine",""],["PDZ","6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one","C17 H12 Cl F N2 O2","O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F;Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3;c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl","InChI=1S/C17H12ClFN2O2/c18-14-8-6-11(10-12-7-9-15(22)21-20-12)16(19)17(14)23-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22)","","2008-06-20","2011-06-04","6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one",""],["AVZ","(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium","C18 H19 Cl N3","Clc1cc(C[NH2+]CCc2c[nH]cn2)ccc1c3ccccc3;c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3","InChI=1S/C18H18ClN3/c19-18-10-14(11-20-9-8-16-12-21-13-22-16)6-7-17(18)15-4-2-1-3-5-15/h1-7,10,12-13,20H,8-9,11H2,(H,21,22)/p+1","","2017-08-24","2018-02-23","(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium","2018-02-28"],["PE0","PTERINE","C6 H5 N5 O","O=C1c2nccnc2N=C(N1)N;NC1=Nc2nccnc2C(=O)N1;c1cnc2c(n1)C(=O)NC(=N2)N","InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)","","2003-07-28","2011-06-04","2-aminopteridin-4(3H)-one",""],["AW0","5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine","C24 H34 N8 O4","O=C(Nc1ccc(cc1)C)NCCCN(C(C)C)CC4OC(n3cnc2c(ncnc23)N)C(O)C4O;CC(C)N(CCCNC(=O)Nc1ccc(C)cc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;Cc1ccc(cc1)NC(=O)NCCCN(CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)C(C)C","InChI=1S/C24H34N8O4/c1-14(2)31(10-4-9-26-24(35)30-16-7-5-15(3)6-8-16)11-17-19(33)20(34)23(36-17)32-13-29-18-21(25)27-12-28-22(18)32/h5-8,12-14,17,19-20,23,33-34H,4,9-11H2,1-3H3,(H2,25,27,28)(H2,26,30,35)/t17-,19-,20-,23-/m1/s1","","2012-04-20","2012-04-27","5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine",""],["PE1","N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE","C14 H24 N3 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCCN;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCCN)C(=O)O)O","InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1","PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE","2004-11-12","2020-06-17","N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-lysine",""],["AW1","5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine","C27 H40 N8 O4","O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC4OC(n3cnc2c(ncnc23)N)C(O)C4O;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1","","2012-04-20","2012-04-27","5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine",""],["PE2","9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE","C10 H15 N5 O3","O=C1c2ncn(c2N=C(N1)N)CCC(CO)CO;NC1=Nc2n(CCC(CO)CO)cnc2C(=O)N1;c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N","InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)","","1999-07-08","2011-06-04","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one",""],["AW2","5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C28 H40 Br N7 O4","Brc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(C(C)C)CCCNC(=O)Nc4ccc(cc4)C(C)(C)C)N;CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC2C(C(C(O2)n3cc(c4c3ncnc4N)Br)O)O","InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1","","2012-04-20","2012-05-11","5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["AW3","5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C25 H34 Br N7 O4","Brc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CNCCCNC(=O)Nc4ccc(cc4)C(C)(C)C)N;CC(C)(C)c1ccc(cc1)NC(=O)NCCCNCC2C(C(C(O2)n3cc(c4c3ncnc4N)Br)O)O","InChI=1S/C25H34BrN7O4/c1-25(2,3)14-5-7-15(8-6-14)32-24(36)29-10-4-9-28-11-17-19(34)20(35)23(37-17)33-12-16(26)18-21(27)30-13-31-22(18)33/h5-8,12-13,17,19-20,23,28,34-35H,4,9-11H2,1-3H3,(H2,27,30,31)(H2,29,32,36)/t17-,19-,20-,23-/m1/s1","","2012-04-20","2012-05-11","5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["PE3","3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL","C28 H58 O15","O(CCOCCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2","POLYETHYLENE GLYCOL","2004-11-04","2020-06-17","3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol",""],["PE4","2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL","C16 H34 O8","O(CCOCCO)CCOCCOCCOCCOCCOCC;CCOCCOCCOCCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3","POLYETHYLENE GLYCOL PEG4000","2003-08-18","2020-06-17","3,6,9,12,15,18,21-heptaoxatricosan-1-ol",""],["AW4","(1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C22 H32 Cl N3 O8 S","C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(O)(=O)=O;CC(C)C[CH](NC(=O)OCCc1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl","InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21-/m0/s1","bound form","2017-07-28","2024-09-27","(1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["PE5","3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL","C18 H38 O9","O(CCOCCOCC)CCOCCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCOCCOCCOCCO;CCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3","2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL; POLYETHYLENE GLYCOL PEG400","2004-07-22","2020-05-27","3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol",""],["AW5","3-methyl-5-oxidanyl-benzoic acid","C8 H8 O3","Cc1cc(O)cc(c1)C(O)=O;Cc1cc(cc(c1)O)C(=O)O","InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)","","2017-08-24","2018-02-23","3-methyl-5-oxidanyl-benzoic acid","2018-02-28"],["AW6","4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide","C20 H12 Cl N O6 S","N(S(=O)(=O)c1ccc(cc1)Cl)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O;Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1N[S](=O)(=O)c4ccc(Cl)cc4;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl","InChI=1S/C20H12ClNO6S/c21-10-5-7-11(8-6-10)29(27,28)22-15-9-14-16(20(26)19(15)25)18(24)13-4-2-1-3-12(13)17(14)23/h1-9,22,25-26H","","2018-11-27","2019-12-06","4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide","2019-12-11"],["PE6","PHOSPHORYL-HEXAETHYLENE GLYCOL","C12 H27 O10 P","O=P(O)(O)OCCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCO[P](O)(O)=O;C(COCCOCCOCCOCCOCCOP(=O)(O)O)O","InChI=1S/C12H27O10P/c13-1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-23(14,15)16/h13H,1-12H2,(H2,14,15,16)","","2000-10-26","2011-06-04","17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl dihydrogen phosphate",""],["PE7","1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL","C14 H30 O7 S","O(CCOCCOCCOCCOCCO)CCOCCS;OCCOCCOCCOCCOCCOCCOCCS;C(COCCOCCOCCOCCOCCOCCS)O","InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2","","2001-09-09","2011-06-04","20-sulfanyl-3,6,9,12,15,18-hexaoxaicosan-1-ol",""],["AW7","2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine","C13 H10 N4 O","[nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2;c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3","InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17)","","2017-07-28","2018-08-03","2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine","2018-08-08"],["PE8","3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL","C16 H34 O9","O(CCOCCO)CCOCCOCCOCCOCCOCCO;OCCOCCOCCOCCOCCOCCOCCOCCO;C(COCCOCCOCCOCCOCCOCCOCCO)O","InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2","","2003-10-07","2011-06-04","3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol",""],["AW8","2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid","C20 H15 Cl F N3 O3","CC1=Nc2c(nc3ccc(F)cc3c2[CH](O)N1CC(O)=O)c4ccc(Cl)cc4;CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)C(N1CC(=O)O)O","InChI=1S/C20H15ClFN3O3/c1-10-23-19-17(20(28)25(10)9-16(26)27)14-8-13(22)6-7-15(14)24-18(19)11-2-4-12(21)5-3-11/h2-8,20,28H,9H2,1H3,(H,26,27)/t20-/m1/s1","","2017-08-24","2018-05-04","2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid","2018-05-09"],["PE9","PENTAN-1-OL","C5 H12 O","OCCCCC;CCCCCO;CCCCCO","InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","","2005-05-16","2011-06-04","pentan-1-ol",""],["AW9","(2Z)-4-methoxy-4-oxobut-2-enoic acid","C5 H6 O4","O=C(O)C=C/C(OC)=O;COC(=O)C=CC(O)=O;COC(=O)C=CC(=O)O","InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)","","2018-11-27","2024-09-27","(2Z)-4-methoxy-4-oxobut-2-enoic acid","2019-08-28"],["PEA","2-PHENYLETHYLAMINE","C8 H12 N","c1ccccc1CC[NH3+];[NH3+]CCc1ccccc1;c1ccc(cc1)CC[NH3+]","InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1","","1999-07-08","2024-09-27","2-phenylethanaminium",""],["AWA","(6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid","C12 H12 N2 O4","COc1ccc(cc1)[CH]2CC(=NC(=O)N2)C(O)=O;COc1ccc(cc1)C2CC(=NC(=O)N2)C(=O)O","InChI=1S/C12H12N2O4/c1-18-8-4-2-7(3-5-8)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)/t9-/m1/s1","","2017-07-28","2018-08-03","(6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid","2018-08-08"],["PEB","PHYCOERYTHROBILIN","C33 H40 N4 O6","CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14-15,19-20,26,34H,2,7,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,29-15-/t19-,20-,26-/m1/s1","","1999-07-08","2024-09-27","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["AWB","[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate","C28 H40 N2 O9","CCCCCC[CH]1[CH](OC(=O)CC(C)C)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O;CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C","InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1","","2015-08-28","2015-09-04","[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate","2015-09-09"],["PEC","S,S-PENTYLTHIOCYSTEINE","C8 H17 N O2 S2","O=C(O)C(N)CSSCCCCC;CCCCCSSC[CH](N)C(O)=O;CCCCCSSCC(C(=O)O)N","InChI=1S/C8H17NO2S2/c1-2-3-4-5-12-13-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1","","1999-07-08","2024-09-27","3-(pentyldisulfanyl)-L-alanine",""],["AWC","2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine","C13 H15 N2 O7 P Se","P(OCC1OC(CC1O)N2C(=O)NC(=O)C(=C2)c3[se]ccc3)(O)=O;O[CH]1C[CH](O[CH]1CO[PH](O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3;c1cc([se]c1)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)O)O","InChI=1S/C13H15N2O7PSe/c16-8-4-11(22-9(8)6-21-23(19)20)15-5-7(10-2-1-3-24-10)12(17)14-13(15)18/h1-3,5,8-9,11,16,23H,4,6H2,(H,19,20)(H,14,17,18)/t8-,9+,11+/m0/s1","","2018-11-28","2019-05-10","2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine","2019-05-15"],["PED","PENTANE-3,4-DIOL-5-PHOSPHATE","C5 H13 O6 P","O=P(O)(O)OCC(O)C(O)CC;CC[CH](O)[CH](O)CO[P](O)(O)=O;CCC(C(COP(=O)(O)O)O)O","InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1","OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE","2001-01-11","2024-09-27","1,2-dideoxy-5-O-phosphono-D-erythro-pentitol",""],["AWD","~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide","C12 H16 F N3 O","CN1CCN(CC1)C(=O)Nc2ccc(F)cc2;CN1CCN(CC1)C(=O)Nc2ccc(cc2)F","InChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)","","2017-07-28","2018-08-03","~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide","2018-08-08"],["AWE","[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine","C13 H11 Cl F N","NCc1ccc(c(Cl)c1)c2cccc(F)c2;c1cc(cc(c1)F)c2ccc(cc2Cl)CN","InChI=1S/C13H11ClFN/c14-13-6-9(8-16)4-5-12(13)10-2-1-3-11(15)7-10/h1-7H,8,16H2","","2017-08-24","2018-02-23","[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine","2018-02-28"],["PEE","1,2-dioleoyl-sn-glycero-3-phosphoethanolamine","C41 H78 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1","DOPE","1999-07-08","2024-09-27","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate",""],["PEF","DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE","C37 H74 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1","3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL","2000-05-24","2021-03-13","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate",""],["AWF","2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol","C22 H23 F N6 O2 S","Fc2cc(c(n1nccn1)cc2)C(Oc4cc(c3sc(nc3C)C(O)(C)C)cnc4N)C;C[CH](Oc1cc(cnc1N)c2sc(nc2C)C(C)(C)O)c3cc(F)ccc3n4nccn4;Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F","InChI=1S/C22H23FN6O2S/c1-12-19(32-21(28-12)22(3,4)30)14-9-18(20(24)25-11-14)31-13(2)16-10-15(23)5-6-17(16)29-26-7-8-27-29/h5-11,13,30H,1-4H3,(H2,24,25)/t13-/m1/s1","","2013-10-28","2014-09-05","2-[5-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propan-2-ol","2014-01-29"],["PEG","DI(HYDROXYETHYL)ETHER","C4 H10 O3","OCCOCCO;OCCOCCO;C(COCCO)O","InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2","","1999-07-08","2024-09-27","2,2'-oxydiethanol",""],["AWG","~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine","C13 H12 N4","Nc1ccccc1Nc2[nH]c3ccccc3n2;c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2","InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)","","2017-07-28","2018-08-03","~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine","2018-08-08"],["PEH","DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE","C41 H82 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1","","2002-07-11","2021-07-08","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctadecanoate",""],["AWH","3-[(Z)-[(5Z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid","C20 H16 N2 O6 S","O=C(O)COc1ccccc1C=C3/S/C(=Nc2cccc(C(=O)O)c2)N(C3=O)C;CN1C(=O)C(SC1=Nc2cccc(c2)C(O)=O)=Cc3ccccc3OCC(O)=O;CN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=Nc3cccc(c3)C(=O)O","InChI=1S/C20H16N2O6S/c1-22-18(25)16(10-12-5-2-3-8-15(12)28-11-17(23)24)29-20(22)21-14-7-4-6-13(9-14)19(26)27/h2-10H,11H2,1H3,(H,23,24)(H,26,27)/b16-10-,21-20-","3-((Z)-((Z)-5-(2(carboxymethoxy)benzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid","2012-12-05","2021-03-01","3-[(Z)-{(5Z)-5-[2-(carboxymethoxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid","2013-08-07"],["PEI","PENTANOIC ACID","C5 H10 O2","O=C(O)CCCC;CCCCC(O)=O;CCCCC(=O)O","InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/f/h6H","N-VALERIC ACID","2003-08-21","2008-10-14","pentanoic acid",""],["AWI","9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one","C34 H35 N O6","COc1c(OCC2CC2)cc3Oc4cc5OC(C)(C)C=Cc5c(OCc6ccncc6)c4C(=O)c3c1CC=C(C)C;CC(=CCc1c2c(cc(c1OC)OCC3CC3)Oc4cc5c(c(c4C2=O)OCc6ccncc6)C=CC(O5)(C)C)C","InChI=1S/C34H35NO6/c1-20(2)6-9-24-29-26(17-28(32(24)37-5)38-18-21-7-8-21)40-27-16-25-23(10-13-34(3,4)41-25)33(30(27)31(29)36)39-19-22-11-14-35-15-12-22/h6,10-17,21H,7-9,18-19H2,1-5H3","","2022-03-25","2023-02-17","9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one","2023-02-22"],["AWJ","(2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol","C22 H25 F N6 O3 S","Fc2cc(c(N1NC=CN1)cc2)C(Oc4cc(c3sc(nc3C)C(O)(C)CO)cnc4N)C;C[CH](Oc1cc(cnc1N)c2sc(nc2C)[C](C)(O)CO)c3cc(F)ccc3N4NC=CN4;Cc1c(sc(n1)C(C)(CO)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3N4NC=CN4)F","InChI=1S/C22H25FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,26-27,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1","","2013-10-30","2014-01-24","(2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol","2014-01-29"],["PEJ","PERIODATE","I O4","[O-]I(=O)(=O)=O;[O-][I](=O)(=O)=O;[O-]I(=O)(=O)=O","InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1","","2004-06-04","2023-09-23","periodate",""],["TUA","prednisolone","C21 H28 O5","C2=CC(=O)C=C3CCC1C4C(CC(C1C23C)O)(C(CC4)(O)C(CO)=O)C;C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO;CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O","InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1","(11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione","2020-03-31","2021-03-13","(11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione","2020-11-04"],["AWK","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine","C25 H26 Cl N3","CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C","InChI=1S/C25H26ClN3/c1-3-19-8-4-5-9-20(19)21-12-11-18(15-22(21)26)16-27-14-13-24-28-23-10-6-7-17(2)25(23)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)","","2017-08-24","2018-02-23","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine","2018-02-28"],["TUB","(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium","C37 H41 N2 O6","Oc7ccc5cc7Oc1cc2c(cc1OC)CCN(C2Cc6ccc(Oc3c4c(cc(OC)c3O)CC[N+](C)(C)C4C5)cc6)C;COc1cc2CC[N+](C)(C)[CH]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4;CN1CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+](C6Cc7ccc(c(c7)O3)O)(C)C)OC","InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29-/m0/s1","d-tubocurarine","2010-11-23","2020-06-17","(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium",""],["AWL","1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone","C22 H29 Cl N2 O","Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C34CC5CC(CC(C5)C3)C4;Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl","InChI=1S/C22H29ClN2O/c1-15-2-3-19(23)11-20(15)24-4-6-25(7-5-24)21(26)22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18H,4-10,12-14H2,1H3/t16-,17+,18-,22-","","2018-11-30","2019-11-22","1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone","2019-11-27"],["TUC","(isoquinolin-5-yloxy)acetic acid","C11 H9 N O3","O=C(O)COc1cccc2c1ccnc2;OC(=O)COc1cccc2cnccc12;c1cc2cnccc2c(c1)OCC(=O)O","InChI=1S/C11H9NO3/c13-11(14)7-15-10-3-1-2-8-6-12-5-4-9(8)10/h1-6H,7H2,(H,13,14)","","2010-11-11","2012-01-13","(isoquinolin-5-yloxy)acetic acid",""],["AWM","2-(4-methylpiperazin-1-yl)-1,3-benzothiazole","C12 H15 N3 S","CN1CCN(CC1)c2sc3ccccc3n2;CN1CCN(CC1)c2nc3ccccc3s2","InChI=1S/C12H15N3S/c1-14-6-8-15(9-7-14)12-13-10-4-2-3-5-11(10)16-12/h2-5H,6-9H2,1H3","","2017-07-28","2018-08-03","2-(4-methylpiperazin-1-yl)-1,3-benzothiazole","2018-08-08"],["TUD","TAUROCHENODEOXYCHOLIC ACID","C26 H45 N O6 S","O=S(=O)(O)CCNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C;C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1","2-(((3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID; TAUROCHENODEOXYCHOLATE","2005-09-22","2020-06-17","2-{[(3beta,5beta,7alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid",""],["AWN","2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine","C22 H20 Cl N3","Clc1cc(CNCCc2[nH]c3ccccc3n2)ccc1c4ccccc4;c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3","InChI=1S/C22H20ClN3/c23-19-14-16(10-11-18(19)17-6-2-1-3-7-17)15-24-13-12-22-25-20-8-4-5-9-21(20)26-22/h1-11,14,24H,12-13,15H2,(H,25,26)","","2017-08-25","2018-02-23","2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine","2018-02-28"],["TUE","7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine","C17 H16 N4 O","Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1;C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N","InChI=1S/C17H16N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10H,1,8,11H2,(H2,18,21)","","2015-08-21","2015-10-23","7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine","2015-10-28"],["AWO","N-(5-ethyl-1,2-oxazol-3-yl)-N'-[4-(2-{[6-(4-ethylpyrazin-1(4H)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea","C25 H25 N9 O2 S","C=5N(C=CN(c4cc(Nc3ncc(c1ccc(cc1)NC(Nc2cc(CC)on2)=O)s3)ncn4)C=5)CC;CCN1C=CN(C=C1)c2cc(Nc3sc(cn3)c4ccc(NC(=O)Nc5cc(CC)on5)cc4)ncn2;CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC","InChI=1S/C25H25N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-16H,3-4H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)","","2018-12-04","2019-11-22","N-(5-ethyl-1,2-oxazol-3-yl)-N'-[4-(2-{[6-(4-ethylpyrazin-1(4H)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea","2019-11-27"],["TUG","3,4-di-O-sulfo-alpha-D-altropyranose","C6 H12 O12 S2","OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)(O)=O)O)O;OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5+,6+/m1/s1","","2020-03-31","2020-07-17","3,4-di-O-sulfo-alpha-D-altropyranose","2020-07-29"],["AWP","1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea","C14 H21 N3 O","O=C(NCCc1ccncc1)NC2CCCCC2;c1cnccc1CCNC(=O)NC2CCCCC2","InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)","","2017-07-28","2018-08-03","1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea","2018-08-08"],["AWQ","3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid","C11 H15 N O4","Cc1[nH]c(C)c(CC(O)=O)c1CCC(O)=O;Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O","InChI=1S/C11H15NO4/c1-6-8(3-4-10(13)14)9(5-11(15)16)7(2)12-6/h12H,3-5H2,1-2H3,(H,13,14)(H,15,16)","","2017-08-29","2024-09-27","3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid","2017-09-06"],["TUH","5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C20 H20 N4 O3","O=C1N(C(=NN1)c2c(O)cc(O)c(c2)C(C)C)c4cc3ccn(c3cc4)C;CC(C)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccc4n(C)ccc4c3;CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C","InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)","Ganetespib","2011-10-07","2021-11-08","5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","2012-09-14"],["TUI","2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID","C21 H18 N6 O4 S2","O=C(Nc2ncc(Sc1ncccc1)s2)NCc4nc(c3ccc(OCC(=O)O)cc3)cn4;OC(=O)COc1ccc(cc1)c2c[nH]c(CNC(=O)Nc3sc(Sc4ccccn4)cn3)n2;c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O","InChI=1S/C21H18N6O4S2/c28-18(29)12-31-14-6-4-13(5-7-14)15-9-23-16(26-15)10-24-20(30)27-21-25-11-19(33-21)32-17-3-1-2-8-22-17/h1-9,11H,10,12H2,(H,23,26)(H,28,29)(H2,24,25,27,30)","","2007-08-13","2011-06-04","(4-{2-[({[5-(pyridin-2-ylsulfanyl)-1,3-thiazol-2-yl]carbamoyl}amino)methyl]-1H-imidazol-4-yl}phenoxy)acetic acid",""],["AWR","4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine","C17 H18 F3 N3 O","FC(F)(F)c3nccc2c1c(cc(OC)cc1)n(c23)CCCCN;COc1ccc2c(c1)n(CCCCN)c3c2ccnc3C(F)(F)F;COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F","InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3","","2015-02-15","2015-02-20","4-[7-methoxy-1-(trifluoromethyl)-9H-beta-carbolin-9-yl]butan-1-amine","2015-02-25"],["TUJ","1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose","C6 H12 O18 S4","OCC1OC(C(C(C1OS(O)(=O)=O)OS(=O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O;OC[CH]1O[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4-,5-,6-/m1/s1","","2020-03-31","2020-07-17","1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose","2020-07-29"],["AWS","8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one","C13 H15 N O3","CN(C)Cc1c(O)ccc2C(=CC(=O)Oc12)C;CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O","InChI=1S/C13H15NO3/c1-8-6-12(16)17-13-9(8)4-5-11(15)10(13)7-14(2)3/h4-6,15H,7H2,1-3H3","","2017-07-28","2018-08-03","8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one","2018-08-08"],["TUK","2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal","C18 H22 N4 O3 S","CSCC[CH](N)[CH]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O;CSCCC(C1N=C(C(=O)N1CC(=O)O)Cc2c[nH]c3c2cccc3)N","InChI=1S/C18H22N4O3S/c1-26-7-6-13(19)17-21-15(18(25)22(17)10-16(23)24)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,17,20H,6-8,10,19H2,1H3,(H,23,24)/t13-,17-/m0/s1","","2021-01-13","2024-09-27","2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanoic acid","2022-03-02"],["AWT","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine","C22 H23 N5 O2","COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC;Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)c4c[nH]nc4)OC)OC","InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1","","2017-08-29","2019-02-01","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine","2019-02-06"],["TUL","2-thioxo-2,3-dihydropyrimidin-4(1H)-one","C4 H4 N2 O S","O=C1C=CNC(=S)N1;O=C1NC(=S)NC=C1;C1=CNC(=S)NC1=O","InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)","","2014-10-28","2015-07-10","2-thioxo-2,3-dihydropyrimidin-4(1H)-one","2015-07-15"],["AWU","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","C15 H24 N2 O16 P2","C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O","InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1","","2018-12-04","2019-09-13","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","2019-09-18"],["TUM","Tunicamycin","C37 H60 N4 O16","[C@H](C(=O)NC1C(OC(C(C1O)O)CC(C2OC(C(O)C2O)N3C(NC(C=C3)=O)=O)O)OC4OC(CO)C(O)C(O)C4NC(C)=O)=CCCCCCCCCC(C)C;CC(C)CCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4NC(C)=O;CC(C)CCCCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O","InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1","","2016-05-03","2017-01-06","N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide (non-preferred name)","2017-01-11"],["AWV","3-(azepan-1-ylmethyl)-1~{H}-indole","C15 H20 N2","C1CCCN(CC1)Cc2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3","InChI=1S/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2","","2017-07-28","2018-08-03","3-(azepan-1-ylmethyl)-1~{H}-indole","2018-08-08"],["TUN","ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE","C6 H16 N O3 P","O=P(O)(OCC)N(CC)CC;CCO[P](O)(=O)N(CC)CC;CCN(CC)P(=O)(O)OCC","InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)","","2009-05-11","2024-09-27","ethyl hydrogen diethylamidophosphate",""],["AWW","[2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol","C24 H27 N3 O3 S","COC1=C(Cc2c(C1)nc(C)nc2N[CH](C)c3sc(cc3)c4ccccc4CO)OC;Cc1nc2c(c(n1)NC(C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC","InChI=1S/C24H27N3O3S/c1-14(22-9-10-23(31-22)17-8-6-5-7-16(17)13-28)25-24-18-11-20(29-3)21(30-4)12-19(18)26-15(2)27-24/h5-10,14,28H,11-13H2,1-4H3,(H,25,26,27)/t14-/m1/s1","","2017-08-29","2019-02-01","[2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol","2019-02-06"],["TUO","2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide","C15 H14 N4 O3 S","O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3)C(=O)NN)N;NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)[S](N)(=O)=O;c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N","InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)","","2007-11-05","2011-06-04","2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide",""],["AWX","N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide","C25 H22 N6 O3","C=[C@H]C(=O)NCc1ccc(cc1)n4c(c2oc3c(c2C)cc(C)cc3)c5c(n4)C(NN=C5N)=O;Cc1ccc2oc(c(C)c2c1)c3n(nc4C(=O)NN=C(N)c34)c5ccc(CNC(=O)C=C)cc5;Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C","InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33)","","2018-12-04","2024-09-27","N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide","2019-10-23"],["AWY","~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide","C15 H17 N O2","COc1ccc2cccc(CCNC(C)=O)c2c1;CC(=O)NCCc1cccc2c1cc(cc2)OC","InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)","","2017-07-28","2018-08-03","~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide","2018-08-08"],["TUP","3-deoxy-3-fluoro-alpha-D-glucopyranose","C6 H11 F O5","FC1C(C(O)OC(C1O)CO)O;OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O;C(C1C(C(C(C(O1)O)O)F)O)O","InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6+/m1/s1","","2020-03-31","2020-07-17","3-deoxy-3-fluoro-alpha-D-glucopyranose","2020-07-29"],["TUQ","4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine","C20 H24 Cl N5 O2","Cn1nc(C)c(Cc2oc(nn2)c3cc(Cl)ccc3OC4CCNCC4)c1C;Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl","InChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3","","2015-05-15","2016-03-18","2-(5-chloranyl-2-piperidin-4-yloxy-phenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole","2016-03-23"],["AWZ","~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine","C23 H25 N5 O2 S","COc1cc2nc(C)nc(N[CH](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC;Cc1nc2cc(c(cc2c(n1)NC(C)c3ccc(s3)c4cnc5n4CCC5)OC)OC","InChI=1S/C23H25N5O2S/c1-13(20-7-8-21(31-20)17-12-24-22-6-5-9-28(17)22)25-23-15-10-18(29-3)19(30-4)11-16(15)26-14(2)27-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26,27)/t13-/m1/s1","","2017-08-29","2019-02-01","~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine","2019-02-06"],["TUR","3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose","C12 H22 O11","O(C1C(O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(O)CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1","","2011-11-01","2020-07-17","3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose",""],["AX0","N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide","C24 H20 N6 O3","C4(=O)NN=C(c5c(c2oc1ccc(cc1c2C)C)n(c3ccc(cc3)NC(/C=C)=O)nc45)N;Cc1ccc2oc(c(C)c2c1)c3n(nc4C(=O)NN=C(N)c34)c5ccc(NC(=O)C=C)cc5;Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C","InChI=1S/C24H20N6O3/c1-4-18(31)26-14-6-8-15(9-7-14)30-21(19-20(29-30)24(32)28-27-23(19)25)22-13(3)16-11-12(2)5-10-17(16)33-22/h4-11H,1H2,2-3H3,(H2,25,27)(H,26,31)(H,28,32)","","2018-12-04","2019-11-01","N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide","2019-11-06"],["TUS","(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one","C23 H29 N O5","C23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(C)=N5)C(CO)=O)C)O)C;CC1=N[C]2([CH](C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[CH]4[CH](O)C[C]23C)O1)C(=O)CO;CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)CO","InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1","","2020-03-31","2020-10-30","(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one","2020-11-04"],["AX1","2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C14 H9 N5 O3","N#Cc4c1C(=O)NC(=Nc1nc4c2ccc3OCOc3c2)N;NC1=Nc2[nH]c(c3ccc4OCOc4c3)c(C#N)c2C(=O)N1;c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2","InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)","","2007-12-20","2011-06-04","2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["TUT","5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide","C21 H24 Cl N3 O3","COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1;COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNCC3)Cl","InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-13-15(22)5-6-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)","","2015-05-15","2016-03-18","5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide","2016-03-23"],["AX2","1,3,5-triazine-2,4,6-triamine","C3 H6 N6","n1c(nc(nc1N)N)N;Nc1nc(N)nc(N)n1;c1(nc(nc(n1)N)N)N","InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)","Melamine","2007-12-20","2021-03-01","1,3,5-triazine-2,4,6-triamine",""],["TUU","4-(1,4-diazepan-1-ylsulfonyl)isoquinoline","C14 H17 N3 O2 S","O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23;c1ccc2c(c1)cncc2S(=O)(=O)N3CCCNCC3","InChI=1S/C14H17N3O2S/c18-20(19,17-8-3-6-15-7-9-17)14-11-16-10-12-4-1-2-5-13(12)14/h1-2,4-5,10-11,15H,3,6-9H2","","2023-01-12","2023-05-19","4-(1,4-diazepan-1-ylsulfonyl)isoquinoline","2023-05-24"],["AX3","N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine","C6 H10 N6","n1c(nc(nc1N)NC2CC2)N;Nc1nc(N)nc(NC2CC2)n1;C1CC1Nc2nc(nc(n2)N)N","InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)","","2007-12-20","2011-06-04","N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine",""],["AX4","6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine","C11 H12 N4 S","S(c1nc(nc(N)c1)N)c2ccc(cc2)C;Cc1ccc(Sc2cc(N)nc(N)n2)cc1;Cc1ccc(cc1)Sc2cc(nc(n2)N)N","InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)","","2007-12-20","2011-06-04","6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine",""],["TUV","vamorolone","C22 H28 O4","C12(C)C=CC(=O)C=C1CCC4C2=CCC3(C)C(C(CO)=O)(C(CC34)C)O;C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)C3=CC[C]2(C)[C]1(O)C(=O)CO;CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)CO)O)C)C","InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18-,20+,21+,22+/m1/s1","(8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione","2020-04-01","2021-03-13","(8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione","2020-11-04"],["TUW","6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile","C29 H27 Cl F N3 O4","CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(cn3)C#N)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5;CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O","InChI=1S/C29H27ClFN3O4/c1-27(2,37)20-11-23-25(24(31)12-20)29(19-4-6-21(30)7-5-19,38-17-28(16-35)9-10-28)34(26(23)36)15-22-8-3-18(13-32)14-33-22/h3-8,11-12,14,35,37H,9-10,15-17H2,1-2H3/t29-/m1/s1","","2021-01-13","2021-04-02","6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile","2021-04-07"],["AX5","6-(benzylsulfanyl)pyrimidine-2,4-diamine","C11 H12 N4 S","S(c1nc(nc(N)c1)N)Cc2ccccc2;Nc1cc(SCc2ccccc2)nc(N)n1;c1ccc(cc1)CSc2cc(nc(n2)N)N","InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)","","2007-12-20","2011-06-04","6-(benzylsulfanyl)pyrimidine-2,4-diamine",""],["TUX","1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL","C22 H41 N O7","O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO;CCCCCCCCCCCCCC(=O)O[CH]1[CH](CO[CH](CO)[CH]1O)CC(=O)NO;CCCCCCCCCCCCCC(=O)OC1C(COC(C1O)CO)CC(=O)NO","InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1","TU-514","2003-03-18","2021-03-01","1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol",""],["AX6","6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine","C12 H14 N4 O S","S(c1nc(nc(N)c1)N)Cc2ccc(OC)cc2;COc1ccc(CSc2cc(N)nc(N)n2)cc1;COc1ccc(cc1)CSc2cc(nc(n2)N)N","InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)","","2007-12-20","2011-06-04","6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine",""],["TUY","(3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,\n21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)","C25 H40 N7 O21 P3 S","O(P(=O)(O)OCC1C(OP(=O)(O)O)C(O)C(O1)n3cnc2c3ncnc2N)P(OCC(C(C(NCCC(=O)NCCSC(=O)C(C(C(O)=O)O)O)=O)O)(C)C)(O)=O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)[CH](O)[CH](O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C(C(=O)O)O)O)O","InChI=1S/C25H40N7O21P3S/c1-25(2,18(37)21(38)28-4-3-12(33)27-5-6-57-24(41)15(35)14(34)23(39)40)8-50-56(47,48)53-55(45,46)49-7-11-17(52-54(42,43)44)16(36)22(51-11)32-10-31-13-19(26)29-9-30-20(13)32/h9-11,14-18,22,34-37H,3-8H2,1-2H3,(H,27,33)(H,28,38)(H,39,40)(H,45,46)(H,47,48)(H2,26,29,30)(H2,42,43,44)/t11-,14-,15-,16-,17-,18+,22-/m1/s1","Tartryl-CoA","2020-04-01","2020-07-10","(3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)","2020-07-15"],["AX7","1H-benzimidazol-2-amine","C7 H7 N3","n2c1ccccc1nc2N;Nc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)N","InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)","","2007-12-20","2011-06-04","1H-benzimidazol-2-amine",""],["TUZ","1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide","C28 H26 Cl2 F N3 O4","CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5;CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O","InChI=1S/C28H26Cl2FN3O4/c1-26(2,37)17-11-21-23(22(31)12-17)28(16-3-5-18(29)6-4-16,38-15-27(9-10-27)25(32)36)34(24(21)35)14-20-8-7-19(30)13-33-20/h3-8,11-13,37H,9-10,14-15H2,1-2H3,(H2,32,36)/t28-/m1/s1","","2021-01-13","2021-04-02","1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide","2021-04-07"],["AX8","1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine","C14 H11 Cl2 N3","Clc1ccc(cc1Cl)Cn2c3ccccc3nc2N;Nc1nc2ccccc2n1Cc3ccc(Cl)c(Cl)c3;c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N","InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)","","2007-12-20","2011-06-04","1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine",""],["TV0","4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one","C9 H13 N3 O5 S","NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(S2)(CO)O)O)O","InChI=1S/C9H13N3O5S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(17,3-13)18-7/h1-2,5-7,13-15,17H,3H2,(H2,10,11,16)/t5-,6+,7-,9+/m1/s1","","2023-04-29","2024-04-19","4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one","2024-04-24"],["AX9","DiCys-(15,16)-Dihydrobiliverdin","C33 H40 N4 O6","O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O;CCC1=C(C)[CH](CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O)NC1=O;CCC1=C(C(NC1=O)CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)CC)C)CCC(=O)O)C(=C2C)CCC(=O)O)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h14-15,26,35H,7-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1","15,16-DIHYDROBILIVERDIN (double Cys bound form); 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid","2021-11-11","2024-09-27","3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid","2023-02-15"],["AXA","(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide","C22 H21 N5 O5 S","O=C1Nc2c(OC1)ccc(c2)CNC(=O)C3=Nc4sc5c(c4C(=O)N3)C(CC(=O)N)CCC5;NC(=O)C[CH]1CCCc2sc3N=C(NC(=O)c3c12)C(=O)NCc4ccc5OCC(=O)Nc5c4;c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCCC5CC(=O)N)C(=O)N3)NC(=O)CO2","InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)/t11-/m0/s1","","2008-07-06","2011-06-04","(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide",""],["TV1","N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide","C27 H37 N5 O4","c1ccc2c(c1)cc(c(n2)OC)c3cnc(n3)C(CCCCCC(CC)(O)O)NC(C4CN(C4)C)=O;CCC(O)(O)CCCCC[CH](NC(=O)C1CN(C)C1)c2[nH]c(cn2)c3cc4ccccc4nc3OC;CCC(CCCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O","InChI=1S/C27H37N5O4/c1-4-27(34,35)13-9-5-6-12-22(30-25(33)19-16-32(2)17-19)24-28-15-23(29-24)20-14-18-10-7-8-11-21(18)31-26(20)36-3/h7-8,10-11,14-15,19,22,34-35H,4-6,9,12-13,16-17H2,1-3H3,(H,28,29)(H,30,33)/t22-/m0/s1","","2020-04-01","2020-05-01","N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide","2020-05-06"],["TV2","5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine","C17 H13 N5 O2","O1c2ccc(cc2OC1)Cc5nc3ccccc3c4nc(nn45)N;Nc1nn2c(Cc3ccc4OCOc4c3)nc5ccccc5c2n1;c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N","InChI=1S/C17H13N5O2/c18-17-20-16-11-3-1-2-4-12(11)19-15(22(16)21-17)8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21)","","2014-04-03","2014-07-03","5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine","2014-07-08"],["AXB","N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide","C24 H21 N5 O6 S2","O=C1C(N)=C(C1=O)N3CCc2ccc(cc2C3)CNC(=O)C5=Nc4sc6c(c4C(=O)N5)CCS(=O)(=O)C6;NC1=C(N2CCc3ccc(CNC(=O)C4=Nc5sc6C[S](=O)(=O)CCc6c5C(=O)N4)cc3C2)C(=O)C1=O;c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)CN(CC2)C6=C(C(=O)C6=O)N","InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)","","2008-07-10","2011-06-04","N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide",""],["TV3","[(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C32 H36 N2 O3","CCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;CCCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C32H36N2O3/c1-2-17-33-18-14-23(21-33)22-37-28-11-8-24(9-12-28)30-29-13-10-27(35)19-26(29)20-32(15-16-32)34(30)31(36)25-6-4-3-5-7-25/h3-13,19,23,30,35H,2,14-18,20-22H2,1H3/t23-,30-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["AXC","5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE","C18 H14 N6 S","Cc1nn2c(SCc3[nH]c4ccccc4n3)nc5ccccc5c2n1;Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4","InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21)","","2010-12-03","2011-06-10","5-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline",""],["TV4","N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide","C15 H15 Br F2 N4 O3 S","Brc2cc(NC(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F)cnc2N;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)Nc2cnc(N)c(Br)c2;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F","InChI=1S/C15H15BrF2N4O3S/c1-2-5-26(24,25)22-11-4-3-10(17)12(13(11)18)15(23)21-8-6-9(16)14(19)20-7-8/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20)(H,21,23)","","2011-09-20","2011-09-30","N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide",""],["AXD","2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID","C21 H29 N5 O3","O=C(O)c1cc(ncc1)N3CCC(NCC(=O)N2C(C#C)CCC2CN)(CC3)C;CC1(CCN(CC1)c2cc(ccn2)C(O)=O)NCC(=O)N3[CH](CN)CC[CH]3C#C;CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3C(CCC3C#C)CN","InChI=1S/C21H29N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,13-14,22H2,2H3,(H,28,29)/t16-,17-/m0/s1","","2006-08-23","2024-09-27","2-[4-({2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid",""],["TV5","(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one","C27 H25 Cl2 F N2 O4","CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(O)CC4)c5ccc(Cl)cc5;CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O","InChI=1S/C27H25Cl2FN2O4/c1-25(2,34)17-11-21-23(22(30)12-17)27(36-15-26(35)9-10-26,16-3-5-18(28)6-4-16)32(24(21)33)14-20-8-7-19(29)13-31-20/h3-8,11-13,34-35H,9-10,14-15H2,1-2H3/t27-/m1/s1","","2021-01-13","2021-04-02","(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one","2021-04-07"],["AXE","6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine","C22 H21 N3 O2","COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC;CC(c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC","InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1","","2017-08-29","2019-02-01","6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine","2019-02-06"],["AXF","(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE","C24 H42 N4 O4 S2","O=C(NCCCC)C(C)CC(O)C1NC(=O)C(NC(=O)C2NCCCC2SCC=CCSC1)C;CCCCNC(=O)[CH](C)C[CH](O)[CH]1CSCC=CCS[CH]2CCCN[CH]2C(=O)N[CH](C)C(=O)N1;CCCCNC(=O)C(C)CC(C1CSCC=CCSC2CCCNC2C(=O)NC(C(=O)N1)C)O","InChI=1S/C24H42N4O4S2/c1-4-5-10-26-22(30)16(2)14-19(29)18-15-33-12-6-7-13-34-20-9-8-11-25-21(20)24(32)27-17(3)23(31)28-18/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20+,21-/m1/s1","","2005-12-07","2011-06-04","(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aS,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-2,3,4,4a,6,9,11,12,13,14,15,16,17,17a-tetradecahydro-1H-pyrido[2,3-i][1,11,4,7]dithiadiazacyclopentadecin-12-yl]butanamide",""],["TV6","1-[3,5-bis(chloranyl)phenoxy]propan-2-amine","C9 H11 Cl2 N O","C[CH](N)COc1cc(Cl)cc(Cl)c1;CC(COc1cc(cc(c1)Cl)Cl)N","InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1","","2023-01-12","2023-05-19","1-[3,5-bis(chloranyl)phenoxy]propan-2-amine","2023-05-24"],["TV7","(1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide","C32 H45 N5 O4","C(C)C(CCCCCC(c3ncc(c1c(nc2c(c1)cccc2)OC)n3)NC(=O)C5CC45CCN(CC)CC4)(O)O;CCN1CCC2(CC1)C[CH]2C(=O)N[CH](CCCCCC(O)(O)CC)c3[nH]c(cn3)c4cc5ccccc5nc4OC;CCC(CCCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CC45CCN(CC5)CC)(O)O","InChI=1S/C32H45N5O4/c1-4-32(39,40)14-10-6-7-13-26(35-29(38)24-20-31(24)15-17-37(5-2)18-16-31)28-33-21-27(34-28)23-19-22-11-8-9-12-25(22)36-30(23)41-3/h8-9,11-12,19,21,24,26,39-40H,4-7,10,13-18,20H2,1-3H3,(H,33,34)(H,35,38)/t24-,26+/m1/s1","","2020-04-01","2020-05-01","(1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide","2020-05-06"],["AXG","1-(phenylmethyl)-4-pyrrol-1-yl-piperidine","C16 H20 N2","C1CN(CCC1n2cccc2)Cc3ccccc3;c1ccc(cc1)CN2CCC(CC2)n3cccc3","InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2","","2017-07-28","2018-08-03","1-(phenylmethyl)-4-pyrrol-1-yl-piperidine","2018-08-08"],["TV8","(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol","C12 H17 N5 O4","CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3OC;CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)OC","InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8+,9-,12-/m1/s1","","2021-01-13","2021-11-19","(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol","2021-11-24"],["AXH","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine","C25 H28 N4 O2 S","CNCc1ccccc1c2csc(c2)[CH](C)Nc3nc(C)nc4cc(OC)c(OC)cc34;Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cs3)c4ccccc4CNC)OC)OC","InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1","","2017-08-29","2019-02-01","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine","2019-02-06"],["TV9","N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide","C11 H14 N2 O","CC(NC(=O)C1CC1)c1cccnc1;C[CH](NC(=O)C1CC1)c2cccnc2;CC(c1cccnc1)NC(=O)C2CC2","InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1","","2023-08-28","2023-11-24","N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide","2023-11-29"],["AXI","AXITINIB","C22 H18 N4 O S","O=C(NC)c4ccccc4Sc2ccc3c(C=Cc1ncccc1)nnc3c2;CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3C=Cc4ccccn4)c2;CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3C=Cc4ccccn4","InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+","N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE","2012-01-24","2024-07-30","N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide","2012-09-21"],["TVA","N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline","C13 H22 N2 O3 S","O=C(O)C(NCC(O)C(N)Cc1sccc1)CCC;CCC[CH](NC[CH](O)[CH](N)Cc1sccc1)C(O)=O;CCCC(C(=O)O)NCC(C(Cc1cccs1)N)O","InChI=1S/C13H22N2O3S/c1-2-4-11(13(17)18)15-8-12(16)10(14)7-9-5-3-6-19-9/h3,5-6,10-12,15-16H,2,4,7-8,14H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1","","2014-06-24","2024-09-27","N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline","2015-07-01"],["AXJ","[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol","C15 H25 N O","CC1(C)[CH]2CC=C(CN3CCC[CH]3CO)[CH]1C2;CC1(C2CC=C(C1C2)CN3CCCC3CO)C","InChI=1S/C15H25NO/c1-15(2)12-6-5-11(14(15)8-12)9-16-7-3-4-13(16)10-17/h5,12-14,17H,3-4,6-10H2,1-2H3/t12-,13+,14-/m0/s1","","2017-07-28","2018-08-03","[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol","2018-08-08"],["TVB","4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde","C17 H17 N O3 S","C[CH]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3;CC1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C17H17NO3S/c1-13-6-9-15-4-2-3-5-17(15)18(13)22(20,21)16-10-7-14(12-19)8-11-16/h2-5,7-8,10-13H,6,9H2,1H3/t13-/m1/s1","","2021-01-13","2024-09-27","4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde","2021-06-16"],["AXK","[(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid","C20 H17 Cl2 O5 P","O[CH](c1cccc(c1)c2ccc(cc2)[CH](O)[P](O)(O)=O)c3ccc(Cl)c(Cl)c3;c1cc(cc(c1)C(c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)C(O)P(=O)(O)O","InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19-20,23-24H,(H2,25,26,27)/t19-,20+/m1/s1","","2017-08-29","2017-11-17","[(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid","2017-11-22"],["TVC","3-naphthalen-2-ylbenzoic acid","C17 H12 O2","OC(=O)c1cccc(c1)c2ccc3ccccc3c2;c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O","InChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19)","","2017-07-27","2018-01-05","3-naphthalen-2-ylbenzoic acid","2018-01-10"],["AXL","2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","C16 H21 N3 O5 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccc(O)cc2)N;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccc(O)cc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccc(cc2)O)N)C(=O)O)C","InChI=1S/C16H21N3O5S/c1-16(2)12(15(23)24)19-14(25-16)10(7-20)18-13(22)11(17)8-3-5-9(21)6-4-8/h3-7,10-12,14,19,21H,17H2,1-2H3,(H,18,22)(H,23,24)/t10-,11-,12+,14-/m1/s1","AMOXICILLIN, bound form","2002-05-07","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["AXM","N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide","C12 H19 N O2","O=C(NO)CC13CC2CC(CC(C1)C2)C3;ONC(=O)CC12CC3CC(CC(C3)C1)C2;C1C2CC3CC1CC(C2)(C3)CC(=O)NO","InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)/t8-,9+,10-,12-","Adamantane acetic acid hydroxamate","2012-10-05","2021-03-01","N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide","2013-01-18"],["TVD","N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine","C10 H18 N2 O6","O=C(C)NC1C(O)C(O)C(OC1NC(C)=O)CO;CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1NC(=O)C)CO)O)O","InChI=1S/C10H18N2O6/c1-4(14)11-7-9(17)8(16)6(3-13)18-10(7)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9-,10-/m1/s1","","2020-04-01","2020-07-17","N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine","2020-07-29"],["TVE","(2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid","C22 H27 N3 O7 S","C[CH](O)[CH](C=O)C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O;CC1C(C(N=C1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-16,18-19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14?,15-,16?,18-,19-/m1/s1","","2021-01-13","2024-09-27","(2~{S},3~{R},4~{R})-3-[(5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid","2021-07-21"],["AXN","~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide","C24 H30 N4 O4 S","CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCCC4;CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C","InChI=1S/C24H30N4O4S/c1-16(2)13-17-7-9-18(10-8-17)33(31,32)25-19-14-21-22(15-20(19)28-11-5-6-12-28)27(4)24(30)23(29)26(21)3/h7-10,14-16,25H,5-6,11-13H2,1-4H3","","2017-08-30","2018-06-22","~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide","2018-06-27"],["TVF","[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C31 H34 N2 O3","CC1CCN(C1)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;C[CH]1CCN(CCOc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;CC1CCN(C1)CCOc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C31H34N2O3/c1-22-13-16-32(21-22)17-18-36-27-10-7-23(8-11-27)29-28-12-9-26(34)19-25(28)20-31(14-15-31)33(29)30(35)24-5-3-2-4-6-24/h2-12,19,22,29,34H,13-18,20-21H2,1H3/t22-,29-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["AXO","(1E)-N-hydroxyethanimine","C2 H5 N O","N(/O)=CC;CC=NO;CC=NO","InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+","Acetaldoxime","2013-08-07","2020-06-17","(1E)-N-hydroxyethanimine","2014-05-28"],["TVG","propyl beta-D-galactofuranoside","C9 H18 O6","OC1C(OC(C1O)OCCC)C(CO)O;CCCO[CH]1O[CH]([CH](O)CO)[CH](O)[CH]1O;CCCOC1C(C(C(O1)C(CO)O)O)O","InChI=1S/C9H18O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-/m1/s1","","2020-04-01","2020-07-17","propyl beta-D-galactofuranoside","2020-07-29"],["AXP","(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol","C10 H20 N O9 P","O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO;CC(=O)N[CH]1[CH](O)C[CH](O[CH]1[CH](O)[CH](O)CO)[P](O)(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)P(=O)(O)O)O","InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1","4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)","1999-07-08","2020-07-17","(1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol",""],["TVH","(3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one","C26 H22 Cl2 N2 O5","OCC1(CC1)CO[C]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c4cccc(Cl)c24)c5ccc(Cl)cc5;c1cc2c(c(c1)Cl)C(N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO","InChI=1S/C26H22Cl2N2O5/c27-19-8-6-18(7-9-19)26(35-16-25(15-31)12-13-25)23-21(2-1-3-22(23)28)24(32)29(26)14-17-4-10-20(11-5-17)30(33)34/h1-11,31H,12-16H2/t26-/m1/s1","","2021-01-14","2021-04-02","(3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one","2021-04-07"],["AXQ","{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER","C31 H55 N5 O7 S2","O=C(NCCCC)C(NC(=O)C(C)CC(O)C1NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CSCC=CCSC1)C)C(C)C;CCCCNC(=O)[CH](NC(=O)[CH](C)C[CH](O)[CH]1CSCC=CCSC[CH](NC(=O)OC(C)(C)C)C(=O)N[CH](C)C(=O)N1)C(C)C;CCCCNC(=O)C(C(C)C)NC(=O)C(C)CC(C1CSCC=CCSCC(C(=O)NC(C(=O)N1)C)NC(=O)OC(C)(C)C)O","InChI=1S/C31H55N5O7S2/c1-9-10-13-32-29(41)25(19(2)3)36-26(38)20(4)16-24(37)22-17-44-14-11-12-15-45-18-23(35-30(42)43-31(6,7)8)28(40)33-21(5)27(39)34-22/h11-12,19-25,37H,9-10,13-18H2,1-8H3,(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,36,38)/b12-11+/t20-,21+,22+,23+,24+,25+/m1/s1","","2005-12-07","2011-06-04","tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate",""],["AXR","methyl alpha-D-arabinofuranoside","C6 H12 O5","OC1C(OC(OC)C1O)CO;CO[CH]1O[CH](CO)[CH](O)[CH]1O;COC1C(C(C(O1)CO)O)O","InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1","1-O-methyl-alpha-D-arabinofuranoside; methyl alpha-D-arabinoside; methyl D-arabinoside; methyl arabinoside","2009-06-03","2020-07-17","methyl alpha-D-arabinofuranoside",""],["TVI","(3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol","C12 H14 Br N5 O2","O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2;c1c(cncc1Br)OCc2cn(nn2)C3CNCC3O","InChI=1S/C12H14BrN5O2/c13-8-1-10(3-14-2-8)20-7-9-6-18(17-16-9)11-4-15-5-12(11)19/h1-3,6,11-12,15,19H,4-5,7H2/t11-,12-/m1/s1","","2023-01-12","2023-05-19","(3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol","2023-05-24"],["AXS","1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine","C12 H16 F N O","Fc1ccc(CNC[CH]2CCCO2)cc1;c1cc(ccc1CNCC2CCCO2)F","InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1","","2017-07-28","2018-08-03","1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine","2018-08-08"],["TVJ","[6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","C10 H13 N4 O7 P","Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)C(N)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)C(=O)N)O","InChI=1S/C10H13N4O7P/c1-5-8(15)7(3-13-14-10(17)9(11)16)6(2-12-5)4-21-22(18,19)20/h2-3,15H,4H2,1H3,(H2,11,16)(H,14,17)(H2,18,19,20)/b13-3+","","2023-05-02","2024-02-09","[6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate","2024-02-14"],["AXT","ASTAXANTHIN","C40 H52 O4","O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C(=O)C(O)CC1(C)C)C)C)C)C)C)C(C)(C)CC2O)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)[CH](O)CC2(C)C;CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C","InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1","3,3'-DIHYDROXY-BETA,BETA-CAROTENE-4,4'-DIONE","2001-08-10","2020-06-17","(3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione",""],["TVK","(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one","C28 H27 Cl2 F N2 O4","CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5;CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O","InChI=1S/C28H27Cl2FN2O4/c1-26(2,36)18-11-22-24(23(31)12-18)28(17-3-5-19(29)6-4-17,37-16-27(15-34)9-10-27)33(25(22)35)14-21-8-7-20(30)13-32-21/h3-8,11-13,34,36H,9-10,14-16H2,1-2H3/t28-/m1/s1","","2021-01-14","2021-04-02","(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one","2021-04-07"],["AXU","4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one","C21 H17 N5 O2","Cc1ccc2oc(c(C)c2c1)c3n(nc4C(=O)NN=C(N)c34)c5ccccc5;Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C","InChI=1S/C21H17N5O2/c1-11-8-9-15-14(10-11)12(2)19(28-15)18-16-17(21(27)24-23-20(16)22)25-26(18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,22,23)(H,24,27)","","2018-12-05","2019-10-18","4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one","2019-10-23"],["TVL","[(1'R)-6'-hydroxy-1'-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C31 H34 N2 O3","CC1CCCN1CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;C[CH]1CCCN1CCOc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36;CC1CCCN1CCOc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C31H34N2O3/c1-22-6-5-17-32(22)18-19-36-27-12-9-23(10-13-27)29-28-14-11-26(34)20-25(28)21-31(15-16-31)33(29)30(35)24-7-3-2-4-8-24/h2-4,7-14,20,22,29,34H,5-6,15-19,21H2,1H3/t22-,29-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-6'-hydroxy-1'-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["TVM","3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose","C14 H20 O7","C2(O)C(OCc1cc(ccc1)OC)C(C(OC2CO)O)O;COc1cccc(CO[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)c1;COc1cccc(c1)COC2C(C(OC(C2O)O)CO)O","InChI=1S/C14H20O7/c1-19-9-4-2-3-8(5-9)7-20-13-11(16)10(6-15)21-14(18)12(13)17/h2-5,10-18H,6-7H2,1H3/t10-,11+,12-,13+,14-/m1/s1","","2020-04-01","2020-07-17","3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose","2020-07-29"],["AXV","1~{H}-benzimidazol-2-ylcyanamide","C8 H6 N4","N#CNc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)NC#N","InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)","","2017-07-28","2018-08-03","1~{H}-benzimidazol-2-ylcyanamide","2018-08-08"],["TVN","N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide","C21 H32 N5 O9 P","O=C(N)CC(C(=O)N)NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)C;CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH](C(C)C)C(=O)N[CH](CC(N)=O)C(N)=O;CC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC","InChI=1S/C21H32N5O9P/c1-11(2)18(21(31)25-15(19(23)29)10-16(22)27)26-20(30)13(9-17(28)24-3)8-12-4-6-14(7-5-12)35-36(32,33)34/h4-7,11,13,15,18H,8-10H2,1-3H3,(H2,22,27)(H2,23,29)(H,24,28)(H,25,31)(H,26,30)(H2,32,33,34)/t13-,15+,18+/m1/s1","","2008-07-15","2011-06-04","N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide",""],["AXW","6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C20 H27 F N4 O","Fc1ccccc1CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCc3ccccc3F)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCc3ccccc3F","InChI=1S/C20H27FN4O/c1-14-8-17(25-20(22)9-14)10-16-12-24-13-19(16)26-7-6-23-11-15-4-2-3-5-18(15)21/h2-5,8-9,16,19,23-24H,6-7,10-13H2,1H3,(H2,22,25)/t16-,19+/m0/s1","","2011-10-18","2012-03-09","6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["TVO","(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol","C13 H18 N2 O","O[CH]1CNC[CH]1N2CCc3ccccc3C2;c1ccc2c(c1)CCN(C2)C3CNCC3O","InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1","","2023-01-12","2023-05-19","(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol","2023-05-24"],["AXX","2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","C13 H16 N2 O2 S","O=C(c1c3c(sc1NC(=O)C2CC2)CCCC3)N;NC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13;C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1","InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)","","2007-05-22","2011-06-04","2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["TVP","(2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE","C12 H15 N O","O=C(N2c1ccccc1CCC2C)C;C[CH]1CCc2ccccc2N1C(C)=O;CC1CCc2ccccc2N1C(=O)C","InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1","","2011-11-26","2014-09-05","1-[(2S)-2-methyl-3,4-dihydroquinolin-1(2H)-yl]ethanone",""],["AXY","(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid","C27 H22 O3","O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc4ccc(c3ccccc3)cc4;OC(=O)[CH](Cc1ccc(cc1)c2ccccc2)Oc3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)Oc3ccc(cc3)c4ccccc4","InChI=1S/C27H22O3/c28-27(29)26(19-20-11-13-23(14-12-20)21-7-3-1-4-8-21)30-25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1","","2013-04-05","2014-03-07","(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid","2014-03-12"],["TVQ","1-isothiocyanato-3-methylsulfinyl-propane","C5 H9 N O S2","C[S](=O)CCCN=C=S;CS(=O)CCCN=C=S","InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3/t9-/m1/s1","iberin","2021-01-14","2022-02-25","1-isothiocyanato-3-methylsulfinyl-propane","2022-03-02"],["AXZ","2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid","C11 H18 N2 O5 S","O=C(O)C(NS(O)(O)c1ccc(cc1)CCN)CO;NCCc1ccc(cc1)[S](O)(O)N[CH](CO)C(O)=O;c1cc(ccc1CCN)S(NC(CO)C(=O)O)(O)O","InChI=1S/C11H18N2O5S/c12-6-5-8-1-3-9(4-2-8)19(17,18)13-10(7-14)11(15)16/h1-4,10,13-14,17-18H,5-7,12H2,(H,15,16)/t10-/m0/s1","","2014-03-05","2014-04-25","N-{[4-(2-aminoethyl)phenyl](dihydroxy)-lambda~4~-sulfanyl}-L-serine","2014-04-30"],["AY0","(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid","C12 H14 N O7 P","O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O;CNC(=O)[CH]1[CH]([CH]1c2ccc(O[P](O)(O)=O)cc2)C(O)=O;CNC(=O)C1C(C1C(=O)O)c2ccc(cc2)OP(=O)(O)O","InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1","","2010-10-09","2024-09-27","(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid",""],["TVR","(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one","C10 H12 F N3 O","Fc1cccnc1N1CC(=O)NC(C)C1;C[CH]1CN(CC(=O)N1)c2ncccc2F;CC1CN(CC(=O)N1)c2c(cccn2)F","InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1","","2023-08-28","2023-11-24","(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one","2023-11-29"],["TVS","prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside","C11 H19 N O6","CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC=C;CC(=O)NC1C(C(C(OC1OCC=C)CO)O)O","InChI=1S/C11H19NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9-,10-,11-/m1/s1","","2020-04-01","2020-07-17","prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside","2020-07-29"],["AY1","[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate","C27 H38 N2 O9","C(Nc1c(c(ccc1)C(=O)NC2C(OC(C(C(C(=O)OC2C)CCCCCC)OC(=O)C(C)C)C)=O)O)=O;CCCCCC[CH]1[CH](OC(=O)C(C)C)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O;CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C","InChI=1S/C27H38N2O9/c1-6-7-8-9-11-19-23(38-25(33)15(2)3)17(5)37-27(35)21(16(4)36-26(19)34)29-24(32)18-12-10-13-20(22(18)31)28-14-30/h10,12-17,19,21,23,31H,6-9,11H2,1-5H3,(H,28,30)(H,29,32)/t16-,17+,19-,21+,23+/m1/s1","","2004-01-13","2016-03-04","(2R,3S,6S,7R,8R)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate (non-preferred name)",""],["AY2","~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide","C25 H23 N3 O4","CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4ccn(C)n4)C(C)=O;CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C","InChI=1S/C25H23N3O4/c1-4-31-23-8-7-17(16(2)29)15-21(23)18-12-19(22-9-10-28(3)27-22)14-20(13-18)26-25(30)24-6-5-11-32-24/h5-15H,4H2,1-3H3,(H,26,30)","","2017-08-30","2018-10-05","~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide","2018-10-10"],["TVT","2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile","C14 H16 F3 N7","CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F;Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F","InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)","2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile","2021-01-14","2021-07-02","2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile","2021-07-07"],["TVU","N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide","C22 H24 N2 O6 S2","COc1ccc(cc1OC)C2=CN(C)C(=O)c3cc(sc23)C(=O)NC4CC[S](=O)(=O)CC4;CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC","InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)","","2015-04-03","2015-04-17","N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide","2015-04-22"],["AY3","4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid","C16 H11 N O3","OC(=O)c1ccc(cc1)C=C2C(=O)Nc3ccccc23;c1ccc2c(c1)C(=Cc3ccc(cc3)C(=O)O)C(=O)N2","InChI=1S/C16H11NO3/c18-15-13(12-3-1-2-4-14(12)17-15)9-10-5-7-11(8-6-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+","","2021-12-06","2022-12-16","4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid","2022-12-21"],["TVV","3-O-prop-2-yn-1-yl-beta-D-galactopyranose","C9 H14 O6","C1(O)C(O)C(C(C(O1)CO)O)OCC#C;OC[CH]1O[CH](O)[CH](O)[CH](OCC#C)[CH]1O;C#CCOC1C(C(OC(C1O)O)CO)O","InChI=1S/C9H14O6/c1-2-3-14-8-6(11)5(4-10)15-9(13)7(8)12/h1,5-13H,3-4H2/t5-,6+,7-,8+,9-/m1/s1","","2020-04-01","2020-07-17","3-O-prop-2-yn-1-yl-beta-D-galactopyranose","2020-07-29"],["AY4","2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol","C9 H6 F2 N2 O","n2ccc(c1cc(F)cc(c1O)F)n2;Oc1c(F)cc(F)cc1c2cc[nH]n2;c1c[nH]nc1c2cc(cc(c2O)F)F","InChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13)","","2017-07-28","2017-10-27","2,4-difluoro-6-(1H-pyrazol-3-yl)phenol","2017-11-01"],["AY5","[(~{S})-[4-[3-[(~{S})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid","C20 H17 Cl2 O5 P","O[CH](c1cccc(c1)c2ccc(cc2)[CH](O)[P](O)(O)=O)c3ccc(Cl)c(Cl)c3;c1cc(cc(c1)C(c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)C(O)P(=O)(O)O","InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19-20,23-24H,(H2,25,26,27)/t19-,20-/m0/s1","","2017-08-30","2017-11-17","[(~{S})-[4-[3-[(~{S})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid","2017-11-22"],["TVW","1H-pyrazolo[3,4-d]pyrimidin-4-amine","C5 H5 N5","Nc1ncnc2n[nH]cc12;c1c2c(ncnc2n[nH]1)N","InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)","2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","2021-01-14","2021-07-02","2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","2021-07-07"],["AY6","5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide","C22 H21 Cl3 N4 O","n2(c(c(C)c(C(=O)NN1CCCCC1)n2)c3ccc(cc3)Cl)c4c(Cl)cc(cc4)Cl;Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4;Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl","InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)","Rimonabant","2018-12-05","2021-03-01","5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide","2018-12-26"],["TVX","[(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C28 H30 N2 O3","CN(C)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CN(C)CCOc1ccc(cc1)[CH]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25;CN(C)CCOc1ccc(cc1)C2c3ccc(cc3CC4(N2C(=O)c5ccccc5)CC4)O","InChI=1S/C28H30N2O3/c1-29(2)16-17-33-24-11-8-20(9-12-24)26-25-13-10-23(31)18-22(25)19-28(14-15-28)30(26)27(32)21-6-4-3-5-7-21/h3-13,18,26,31H,14-17,19H2,1-2H3/t26-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["TVY","(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside","C14 H21 N O6","c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN;NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccccc2;c1ccc(cc1)C(CN)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1","","2020-04-01","2020-07-17","(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside","2020-07-29"],["AY7","asciminib","C20 H18 Cl F2 N5 O3","O[CH]1CCN(C1)c2ncc(cc2c3[nH]ncc3)C(=O)Nc4ccc(OC(F)(F)Cl)cc4;c1cc(ccc1NC(=O)c2cc(c(nc2)N3CCC(C3)O)c4ccn[nH]4)OC(F)(F)Cl","InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1","","2016-12-13","2017-03-28","~{N}-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-(1~{H}-pyrazol-5-yl)pyridine-3-carboxamide","2017-04-02"],["TVZ","3-(4-aminocarbonylphenyl)benzoic acid","C14 H11 N O3","NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O;c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N","InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18)","","2017-07-27","2018-01-05","3-(4-aminocarbonylphenyl)benzoic acid","2018-01-10"],["AY8","[[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid","C19 H21 F2 O4 P","Oc1c(cccc1c2cccc(c2)C(F)(F)[P](O)(O)=O)C3CCCCC3;c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3","InChI=1S/C19H21F2O4P/c20-19(21,26(23,24)25)15-9-4-8-14(12-15)17-11-5-10-16(18(17)22)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H2,23,24,25)","","2017-08-30","2017-11-17","[[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid","2017-11-22"],["TW0","(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol","C12 H15 N5 O","O[CH]1CNCC[CH]1n2cc(nn2)c3ccccn3;c1ccnc(c1)c2cn(nn2)C3CCNCC3O","InChI=1S/C12H15N5O/c18-12-7-13-6-4-11(12)17-8-10(15-16-17)9-3-1-2-5-14-9/h1-3,5,8,11-13,18H,4,6-7H2/t11-,12-/m0/s1","","2023-01-12","2023-05-19","(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol","2023-05-24"],["AY9","Ascopyrone M","C6 H8 O4","O=C1C(O)=CC(OC1)CO;OC[CH]1OCC(=O)C(=C1)O;C1C(=O)C(=CC(O1)CO)O","InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1","","2011-11-15","2020-07-17","(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one",""],["TW2","4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C15 H13 F N6","Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13;Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N","InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21)","4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-14","2021-07-02","4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["AYA","N-ACETYLALANINE","C5 H9 N O3","O=C(NC(C(=O)O)C)C;C[CH](NC(C)=O)C(O)=O;CC(C(=O)O)NC(=O)C","InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1","","1999-07-08","2024-09-27","N-acetyl-L-alanine",""],["AYB","5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine","C20 H32 N7 O10 P","O=C(OCCC)NCCCCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCCOC(=O)NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCOC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C20H32N7O10P/c1-2-7-34-20(31)23-6-4-3-5-11(21)19(30)37-38(32,33)35-8-12-14(28)15(29)18(36-12)27-10-26-13-16(22)24-9-25-17(13)27/h9-12,14-15,18,28-29H,2-8,21H2,1H3,(H,23,31)(H,32,33)(H2,22,24,25)/t11-,12+,14+,15+,18+/m0/s1","NE-ALLYLOXYCARBONYL-L-LYSINE-5'-ADENOSINE MONOPHOSPHATE","2008-02-20","2021-03-01","5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine",""],["TW3","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate","C26 H42 N7 O17 P3 S","CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C","InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20+,21-,25-/m0/s1","","2023-05-09","2024-04-19","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate","2024-04-24"],["TW5","(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide","C33 H30 Cl F N6 O2","O=C(Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3ccc(Cl)cc3)CC4)Cc6c5ccccc5nc6;Fc1cc(ccc1C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)Nc4ccncc4)N5CCN(CC5)c6ccc(Cl)cc6;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl","InChI=1S/C33H30ClFN6O2/c34-23-5-7-25(8-6-23)40-15-17-41(18-16-40)26-9-10-28(29(35)20-26)32(42)39-31(33(43)38-24-11-13-36-14-12-24)19-22-21-37-30-4-2-1-3-27(22)30/h1-14,20-21,31,37H,15-19H2,(H,39,42)(H,36,38,43)/t31-/m1/s1","","2013-08-19","2014-09-05","Nalpha-{4-[4-(4-chlorophenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide","2014-09-03"],["AYC","ALAREMYCIN 2","C8 H13 N O4","O=C(C(NC(=O)C)C)CCC(=O)O;C[CH](NC(C)=O)C(=O)CCC(O)=O;CC(C(=O)CCC(=O)O)NC(=O)C","InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/t5-/m1/s1","(5R)-5-ACETAMIDO-4-OXO-HEXANOIC ACID","2009-07-27","2024-09-27","(5R)-5-(acetylamino)-4-oxohexanoic acid",""],["TW6","[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C27 H28 N2 O3","CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CNCCOc1ccc(cc1)[CH]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25;CNCCOc1ccc(cc1)C2c3ccc(cc3CC4(N2C(=O)c5ccccc5)CC4)O","InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1","","2022-07-28","2023-06-30","[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2023-07-05"],["AYD","4-{[(4'-AMINO-2'-METHYLPYRIMIDIN-5'-YL)METHYL]AMINO}PENT-3-ENYL DIPHOSPHATE","C11 H20 N4 O7 P2","O=P(O)(O)OP(=O)(O)OCC/C=C(/NCc1cnc(nc1N)C)C;CC(NCc1cnc(C)nc1N)=CCCO[P](O)(=O)O[P](O)(O)=O;Cc1ncc(c(n1)N)CNC(=CCCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C11H20N4O7P2/c1-8(13-6-10-7-14-9(2)15-11(10)12)4-3-5-21-24(19,20)22-23(16,17)18/h4,7,13H,3,5-6H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/b8-4+","","2002-10-31","2012-01-05","(3E)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}pent-3-en-1-yl trihydrogen diphosphate",""],["TW7","2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride","C6 H9 F3 O4","C1(F)C(F)(F)C(C(O)C(O1)CO)O;OC[CH]1O[CH](F)C(F)(F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)F)(F)F)O)O)O","InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1","","2020-04-01","2020-07-17","2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride","2020-07-29"],["AYE","prop-2-en-1-amine","C3 H7 N","C=CCN;NCC=C;C=CCN","InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2","ALLYLAMINE","2009-02-02","2024-10-08","prop-2-en-1-amine",""],["TW8","4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde","C15 H14 N2 O3 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23;c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2","","2021-01-14","2024-09-27","4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde","2021-09-15"],["AYG","[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C14 H15 N3 O4","O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2;C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N","InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1","PEPTIDE DERIVED CHROMOPHORE","2006-07-21","2012-05-07","[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["AYH","(1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide","C29 H47 N3 O4","CCCCNC(=O)[CH](C)C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CCC[CH](C2)C(C)(C)NC(C)=O;CCCCNC(=O)C(C)CC(C(Cc1ccccc1)NC(=O)C2CCCC(C2)C(C)(C)NC(=O)C)O","InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1","(1R,3S)-3-(1-Acetylamino-1-methyl-ethyl)-cyclohexanecarboxylic acid ((1S,2S,4R)-1-benzyl-4-butylcarbamoyl-2-hydroxy-pentyl)-amide","2009-12-11","2021-03-13","(1R,3S)-3-(2-acetamidopropan-2-yl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-hexan-2-yl]cyclohexane-1-carboxamide",""],["TWA","2,3,4-tri-O-sulfo-beta-D-altropyranose","C6 H12 O15 S3","C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(=O)(=O)O)O)O;OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O","InChI=1S/C6H12O15S3/c7-1-2-3(19-22(9,10)11)4(20-23(12,13)14)5(6(8)18-2)21-24(15,16)17/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4-,5+,6-/m1/s1","","2020-04-01","2020-07-17","2,3,4-tri-O-sulfo-beta-D-altropyranose","2020-07-29"],["TWB","[(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","C12 H13 O5 P","Cc1c(cc2c(c1)OC(C=C2CP(O)(O)=O)=O)C;Cc1cc2OC(=O)C=C(C[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O","InChI=1S/C12H13O5P/c1-7-3-10-9(6-18(14,15)16)5-12(13)17-11(10)4-8(7)2/h3-5H,6H2,1-2H3,(H2,14,15,16)","","2018-04-17","2019-04-12","[(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid","2019-04-17"],["AYI","(1R,2S,3R,1S',1S\")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester","C22 H32 N5 O9 P","O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)C(C)CC;CC[CH](C)[CH](NC(=O)[CH]1[CH]([CH]1c2ccc(O[P](O)(O)=O)cc2)C(=O)NC)C(=O)N[CH](CC(N)=O)C(N)=O;CCC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C1C(C1C(=O)NC)c2ccc(cc2)OP(=O)(O)O","InChI=1S/C22H32N5O9P/c1-4-10(2)18(22(32)26-13(19(24)29)9-14(23)28)27-21(31)17-15(16(17)20(30)25-3)11-5-7-12(8-6-11)36-37(33,34)35/h5-8,10,13,15-18H,4,9H2,1-3H3,(H2,23,28)(H2,24,29)(H,25,30)(H,26,32)(H,27,31)(H2,33,34,35)/t10-,13-,15-,16+,17+,18-/m0/s1","","2009-09-28","2011-06-04","N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-isoleucyl-L-aspartamide",""],["AYJ","2-[cyclohexyl(methylsulfonyl)amino]ethanamide","C9 H18 N2 O3 S","C[S](=O)(=O)N(CC(N)=O)C1CCCCC1;CS(=O)(=O)N(CC(=O)N)C1CCCCC1","InChI=1S/C9H18N2O3S/c1-15(13,14)11(7-9(10)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,12)","","2017-07-28","2018-08-03","2-[cyclohexyl(methylsulfonyl)amino]ethanamide","2018-08-08"],["TWC","2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one","C6 H7 F3 N2 O","FC(F)(F)C=1CC(=O)N(CC)N=1;CCN1N=C(CC1=O)C(F)(F)F;CCN1C(=O)CC(=N1)C(F)(F)F","InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3","","2023-08-28","2023-11-24","2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one","2023-11-29"],["TWD","2,3-di-O-sulfo-alpha-L-glucopyranose","C6 H12 O12 S2","C(C1C(C(C(C(O1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O;OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O","InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m0/s1","","2020-04-01","2020-07-17","2,3-di-O-sulfo-alpha-L-glucopyranose","2020-07-29"],["AYK","(3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide","C26 H41 N O3","CC(C)NC(=O)C[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(C)NC(=O)CC(C)(C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C)O","InChI=1S/C26H41NO3/c1-17(2)27-24(29)16-26(5,30)23-13-12-22-19(7-6-14-25(22,23)4)9-10-20-15-21(28)11-8-18(20)3/h9-10,17,21-23,28,30H,3,6-8,11-16H2,1-2,4-5H3,(H,27,29)/b19-9+,20-10-/t21-,22-,23-,25-,26-/m0/s1","","2017-08-31","2018-02-02","(3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide","2018-02-07"],["TWE","1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile","C14 H14 N2 O2","O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N;c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N","InChI=1S/C14H14N2O2/c15-9-11-5-7-16(8-6-11)14(18)13-3-1-12(10-17)2-4-13/h1-4,10-11H,5-8H2","","2021-01-14","2024-09-27","1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile","2021-06-16"],["AYL","5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine","C19 H24 N5 O8 P","O=P(OCCCc1ccc(O)cc1)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OCCCc4ccc(O)cc4)[CH](O)[CH]3O;c1cc(ccc1CCCOP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C19H24N5O8P/c20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(32-19)8-31-33(28,29)30-7-1-2-11-3-5-12(25)6-4-11/h3-6,9-10,13,15-16,19,25-27H,1-2,7-8H2,(H,28,29)(H2,20,21,22)/t13-,15-,16-,19-/m1/s1","","2010-06-28","2011-06-04","5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine",""],["TWF","[(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C28 H30 N2 O3","CCNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCNCCOc1ccc(cc1)[CH]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25;CCNCCOc1ccc(cc1)C2c3ccc(cc3CC4(N2C(=O)c5ccccc5)CC4)O","InChI=1S/C28H30N2O3/c1-2-29-16-17-33-24-11-8-20(9-12-24)26-25-13-10-23(31)18-22(25)19-28(14-15-28)30(26)27(32)21-6-4-3-5-7-21/h3-13,18,26,29,31H,2,14-17,19H2,1H3/t26-/m1/s1","","2022-07-28","2022-11-04","[(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["AYM","3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE","C19 H20 N4 O","O=C(C=Cc1ccc(nc1)N)N(C)Cc3cc2ccccc2n3C;CN(Cc1cc2ccccc2n1C)C(=O)C=Cc3ccc(N)nc3;Cn1c2ccccc2cc1CN(C)C(=O)C=Cc3ccc(nc3)N","InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+","","2002-06-25","2011-06-04","(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide",""],["TWG","6-thio-alpha-D-mannopyranose","C6 H12 O5 S","C1(OC(C(C(C1O)O)O)CS)O;O[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)S","InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1","","2020-04-01","2020-08-11","6-thio-alpha-D-mannopyranose","2020-07-29"],["AYN","1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide","C16 H11 F3 N2 O","NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F;c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N","InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)","","2017-08-31","2018-07-27","1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide","2018-08-01"],["TWH","4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C13 H16 N6","C[CH]1CCCN1c2n(C)c3ncnc(N)c3c2C#N;CC1CCCN1c2c(c3c(ncnc3n2C)N)C#N","InChI=1S/C13H16N6/c1-8-4-3-5-19(8)13-9(6-14)10-11(15)16-7-17-12(10)18(13)2/h7-8H,3-5H2,1-2H3,(H2,15,16,17)/t8-/m1/s1","4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-14","2021-07-02","4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["AYO","(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid","C26 H29 Cl2 N3 O5","C(=O)(CC(c2c(c(c1noc(CC(C)(C)C)c1)on2)C3CC3)CCC(O)=O)Nc4ccc(cc4Cl)Cl;CC(C)(C)Cc1onc(c1)c2onc([CH](CCC(O)=O)CC(=O)Nc3ccc(Cl)cc3Cl)c2C4CC4;CC(C)(C)Cc1cc(no1)c2c(c(no2)C(CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4","InChI=1S/C26H29Cl2N3O5/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34)/t15-/m0/s1","","2018-12-07","2019-03-01","(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid","2019-03-06"],["TWI","(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one","C21 H18 Cl F3 N4 O2","CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5Cl)ccc14;CN1c2ccc(cc2C3=C(C1=O)OCC(C(N3)C4CC4)(F)F)Nc5ccnc(c5Cl)F","InChI=1S/C21H18ClF3N4O2/c1-29-14-5-4-11(27-13-6-7-26-19(23)15(13)22)8-12(14)16-17(20(29)30)31-9-21(24,25)18(28-16)10-2-3-10/h4-8,10,18,28H,2-3,9H2,1H3,(H,26,27)/t18-/m0/s1","","2023-01-13","2023-05-15","(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one","2023-04-26"],["AYQ","N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide","C21 H29 N6 O10 P","O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCC(=O)N;CNC(=O)[CH]1[CH]([CH]1c2ccc(O[P](O)(O)=O)cc2)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CC(N)=O)C(N)=O;CNC(=O)C1C(C1C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O","InChI=1S/C21H29N6O10P/c1-25-20(32)16-15(9-2-4-10(5-3-9)37-38(34,35)36)17(16)21(33)26-11(6-7-13(22)28)19(31)27-12(18(24)30)8-14(23)29/h2-5,11-12,15-17H,6-8H2,1H3,(H2,22,28)(H2,23,29)(H2,24,30)(H,25,32)(H,26,33)(H,27,31)(H2,34,35,36)/t11-,12-,15-,16+,17+/m0/s1","","2009-09-28","2011-06-04","N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-glutaminyl-L-aspartamide",""],["TWJ","1-thio-beta-D-talopyranose","C6 H12 O5 S","SC1OC(CO)C(C(O)C1O)O;OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5+,6+/m1/s1","","2020-04-01","2020-07-17","1-thio-beta-D-talopyranose","2020-07-29"],["AYR","(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one","C17 H19 N O3","C(c2ccc1OCOc1c2)=[C@H]C=[C@H]C(N3CCCCC3)=O;O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3;c1cc2c(cc1C=CC=CC(=O)N3CCCCC3)OCO2","InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+","","2018-12-13","2020-04-10","(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one","2020-04-15"],["AYS","2-[(4-chlorophenyl)amino]benzamide","C13 H11 Cl N2 O","NC(=O)c1ccccc1Nc2ccc(Cl)cc2;c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl","InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)","","2017-07-28","2018-08-03","2-[(4-chlorophenyl)amino]benzamide","2018-08-08"],["TWK","4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C14 H9 F2 N5","Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F;Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F","InChI=1S/C14H9F2N5/c1-21-12(7-3-2-4-9(15)11(7)16)8(5-17)10-13(18)19-6-20-14(10)21/h2-4,6H,1H3,(H2,18,19,20)","4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-14","2021-07-02","4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["AYT","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","C27 H44 O2","CC(C)CCC[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(C)CCCC(C)(C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C)O","InChI=1S/C27H44O2/c1-19(2)8-6-17-27(5,29)25-15-14-24-21(9-7-16-26(24,25)4)11-12-22-18-23(28)13-10-20(22)3/h11-12,19,23-25,28-29H,3,6-10,13-18H2,1-2,4-5H3/b21-11+,22-12-/t23-,24-,25-,26-,27-/m0/s1","","2017-08-31","2018-02-02","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","2018-02-07"],["TWL","ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE","C10 H14 N2 O2","CCOC(=O)[CH]1CCc2[nH]ncc2C1;CCOC(=O)C1CCc2c(cn[nH]2)C1","InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m1/s1","","2015-03-10","2015-03-13","ethyl (5R)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate","2015-03-18"],["TWM","4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide","C19 H21 N3 O2","c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3;CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13;CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO","InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)","","2020-04-02","2020-07-17","4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide","2020-07-22"],["AYU","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","C17 H27 N5 O16 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)N","InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17-/m0/s1","","2018-01-11","2018-08-17","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","2018-08-22"],["TWN","(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE","C22 H42 O3","O=C(OCCC(C1OCC(C)C1C)C)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC[CH](C)[CH]1OC[CH](C)[CH]1C;CCCCCCCCCCCC(=O)OCCC(C)C1C(C(CO1)C)C","InChI=1S/C22H42O3/c1-5-6-7-8-9-10-11-12-13-14-21(23)24-16-15-18(2)22-20(4)19(3)17-25-22/h18-20,22H,5-17H2,1-4H3/t18-,19-,20-,22-/m0/s1","","2006-06-12","2011-06-04","(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl dodecanoate",""],["AYV","1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea","C11 H16 N2 O3","CC(CO)(CO)NC(=O)Nc1ccccc1;CC(CO)(CO)NC(=O)Nc1ccccc1","InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)","","2017-07-28","2018-08-03","1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea","2018-08-08"],["TWO","3,4-dimethoxybenzoic acid","C9 H10 O4","O=C(O)c1cc(OC)c(OC)cc1;COc1ccc(cc1OC)C(O)=O;COc1ccc(cc1OC)C(=O)O","InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)","VERATRIC ACID","2012-04-09","2021-03-01","3,4-dimethoxybenzoic acid","2013-02-15"],["AYW","4-methyl-6-oxidanyl-1-benzofuran-3-one","C9 H8 O3","Cc1cc(O)cc2OCC(=O)c12;Cc1cc(cc2c1C(=O)CO2)O","InChI=1S/C9H8O3/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-3,10H,4H2,1H3","","2017-08-31","2018-07-13","4-methyl-6-oxidanyl-1-benzofuran-3-one","2018-07-18"],["TWP","N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide","C16 H14 N2 O2","c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3;ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1;c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO","InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)","","2020-04-02","2020-07-17","N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide","2020-07-22"],["AYX","4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide","C13 H12 N4 O5 S","O=S(=O)(N)c2ccc(NC(=O)Nc1cccc([N+]([O-])=O)c1)cc2;N[S](=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1;c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)","","2010-05-26","2011-06-04","4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide",""],["TWQ","3-[(3S)-3-methoxypiperidin-1-yl]-4-nitrobenzaldehyde","C13 H16 N2 O4","[O-][N+](=O)c1ccc(C=O)cc1N1CCCC(C1)OC;CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N+]([O-])=O;COC1CCCN(C1)c2cc(ccc2[N+](=O)[O-])C=O","InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1","","2021-01-14","2026-04-05","3-[(3S)-3-methoxypiperidin-1-yl]-4-nitrobenzaldehyde","2021-06-09"],["AYZ","3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid","C19 H15 F3 N2 O4","NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1c3cccc(CCC(O)=O)c3;c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O","InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)","","2017-08-31","2018-07-27","3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid","2018-08-01"],["TWR","2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide","C10 H13 F N2 O2","CN(C)C(=O)COc1ccc(N)c(F)c1;CN(C)C(=O)COc1ccc(N)c(F)c1;CN(C)C(=O)COc1ccc(c(c1)F)N","InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3","","2023-08-28","2023-11-24","2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide","2023-11-29"],["AZ0","ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate","C30 H48 N4 O8","O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C;CCOC(=O)[CH](O)CC(=O)N(CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1;CCOC(=O)C(CC(=O)N(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)O","InChI=1S/C30H48N4O8/c1-8-41-29(39)25(35)16-26(36)34(17-21(6)7)33-28(38)24(15-20(4)5)31-27(37)23(14-19(2)3)32-30(40)42-18-22-12-10-9-11-13-22/h9-13,19-21,23-25,35H,8,14-18H2,1-7H3,(H,31,37)(H,32,40)(H,33,38)/t23-,24-,25-/m0/s1","","2009-03-18","2024-09-27","ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate",""],["TWS","N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide","C18 H18 N2 O3","c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23;OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13;c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO","InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22)","","2020-04-02","2020-07-17","N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide","2020-07-22"],["AZ1","AZELAIC ACID","C9 H16 O4","O=C(O)CCCCCCCC(=O)O;OC(=O)CCCCCCCC(O)=O;C(CCCC(=O)O)CCCC(=O)O","InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)","","2004-07-07","2024-09-27","nonanedioic acid",""],["TWT","DOCOSANE","C22 H46","C(CCCCCCCCCCCCCCCCCC)CCC;CCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCC","InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3","","2002-05-24","2011-06-04","docosane",""],["AZ2","(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID","C20 H24 O7 S","O=S(=O)(Oc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(=O)O)C;CCO[CH](Cc1ccc(OCCc2ccc(O[S](C)(=O)=O)cc2)cc1)C(O)=O;CCOC(Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O","InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1","AZ 242","2001-03-30","2020-06-17","(2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid",""],["TWU","(2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one","C24 H29 Cl N6 O2","Clc1c(Nc2cnc(nc2)C2CC2)cccc1C1(C)CC(=O)N(C2CC(C)OCC2)C(=N)N1;C[CH]1C[CH](CCO1)N2C(=N)N[C](C)(CC2=O)c3cccc(Nc4cnc(nc4)C5CC5)c3Cl;CC1CC(CCO1)N2C(=O)CC(NC2=N)(C)c3cccc(c3Cl)Nc4cnc(nc4)C5CC5","InChI=1S/C24H29ClN6O2/c1-14-10-17(8-9-33-14)31-20(32)11-24(2,30-23(31)26)18-4-3-5-19(21(18)25)29-16-12-27-22(28-13-16)15-6-7-15/h3-5,12-15,17,29H,6-11H2,1-2H3,(H2,26,30)/t14-,17-,24-/m0/s1","","2022-07-29","2022-10-14","(2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one","2022-10-19"],["AZ3","4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide","C21 H28 N4 O2","O(c1ccc(cc1)C(=[N@H])N)CCCCCCCOc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(N)=N)cc1;c1cc(ccc1C(=N)N)OCCCCCCCOc2ccc(cc2)C(=N)N","InChI=1S/C21H28N4O2/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25)","","2012-06-26","2012-10-12","4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide","2012-10-12"],["TWV","4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide","C20 H23 N3 O2","c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C;CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13;CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO","InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)","","2020-04-02","2020-07-17","4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide","2020-07-22"],["AZ4","N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide","C19 H23 F4 N7 O5 S","O=S(=O)(N2CCN(c1ncc(OCC(F)(F)F)cn1)CC2)CC(N(O)C=O)CCc3ncc(F)cn3;ON(C=O)[CH](CCc1ncc(F)cn1)C[S](=O)(=O)N2CCN(CC2)c3ncc(OCC(F)(F)F)cn3;c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)CC(CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F","InChI=1S/C19H23F4N7O5S/c20-14-7-24-17(25-8-14)2-1-15(30(32)13-31)11-36(33,34)29-5-3-28(4-6-29)18-26-9-16(10-27-18)35-12-19(21,22)23/h7-10,13,15,32H,1-6,11-12H2/t15-/m0/s1","","2013-12-20","2014-02-28","N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide","2014-03-05"],["AZ5","5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE","C14 H14 Cl F N8","Fc1cnc(nc1)C(Nc3nc(Nc2cc(nn2)C)c(Cl)cn3)C;C[CH](Nc1ncc(Cl)c(Nc2[nH]nc(C)c2)n1)c3ncc(F)cn3;Cc1cc([nH]n1)Nc2c(cnc(n2)NC(C)c3ncc(cn3)F)Cl","InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1","","2010-03-26","2011-06-04","5-chloro-N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N~4~-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine",""],["TWW","(2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid","C8 H13 N O4 S2","CCOC(=O)[C]1(CS)N[CH](CS1)C(O)=O;CCOC(=O)C1(NC(CS1)C(=O)O)CS","InChI=1S/C8H13NO4S2/c1-2-13-7(12)8(4-14)9-5(3-15-8)6(10)11/h5,9,14H,2-4H2,1H3,(H,10,11)/t5-,8+/m0/s1","","2021-01-14","2021-08-20","(2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid","2021-08-25"],["TWX","(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol","C13 H17 N5 O2","Nc1ccc(OCc2cn(nn2)[CH]3CNC[CH]3O)cc1;c1cc(ccc1N)OCc2cn(nn2)C3CNCC3O","InChI=1S/C13H17N5O2/c14-9-1-3-11(4-2-9)20-8-10-7-18(17-16-10)12-5-15-6-13(12)19/h1-4,7,12-13,15,19H,5-6,8,14H2/t12-,13-/m1/s1","","2023-01-13","2023-05-19","(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol","2023-05-24"],["AZ6","3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile","C21 H23 N7 O5 S","O=S(=O)(N3CCN(c2ncc(OCc1cccc(C#N)c1)cn2)CC3)CC4(C(=O)NC(=O)N4)C;C[C]1(C[S](=O)(=O)N2CCN(CC2)c3ncc(OCc4cccc(c4)C#N)cn3)NC(=O)NC1=O;CC1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N","InChI=1S/C21H23N7O5S/c1-21(18(29)25-20(30)26-21)14-34(31,32)28-7-5-27(6-8-28)19-23-11-17(12-24-19)33-13-16-4-2-3-15(9-16)10-22/h2-4,9,11-12H,5-8,13-14H2,1H3,(H2,25,26,29,30)/t21-/m1/s1","","2013-12-20","2014-02-28","3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile","2014-03-05"],["TWY","4-thio-beta-D-xylopyranose","C5 H10 O4 S","SC1C(C(C(OC1)O)O)O;O[CH]1OC[CH](S)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)S","InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1","","2020-04-02","2020-07-17","4-thio-beta-D-xylopyranose","2020-07-29"],["AZ7","(3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID","C17 H13 Cl3 N2 O2","Clc1ccc(cc1)C(CC(=O)O)Cc3nc2cc(Cl)cc(Cl)c2n3;OC(=O)C[CH](Cc1[nH]c2c(Cl)cc(Cl)cc2n1)c3ccc(Cl)cc3;c1cc(ccc1C(Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl","InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24)/t10-/m0/s1","","2011-09-08","2014-09-05","(3S)-3-(4-chlorophenyl)-4-(5,7-dichloro-1H-benzimidazol-2-yl)butanoic acid",""],["TWZ","2-[4-[2-[hydroxy-[[(1R,5S,9S,16R,20R,24S,28S,35R)-22-phosphonooxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl]oxy]phosphoryl]oxyethyl]triazol-1-yl]acetic acid","C48 H39 N3 O10 P2","OC(=O)Cn1cc(CCO[P](O)(=O)Oc2c3[CH]4C[CH](c5cc6[CH]7C[CH](c8ccccc78)c6cc45)c3c(O[P](O)(O)=O)c9[CH]%10C[CH](c%11cc%12[CH]%13C[CH](c%14ccccc%13%14)c%12cc%10%11)c29)nn1;c1ccc2c(c1)C3CC2c4c3cc5c(c4)C6CC5c7c6c(c8c(c7OP(=O)(O)O)C9CC8c1c9cc2c(c1)C1CC2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O","InChI=1S/C48H39N3O10P2/c52-42(53)20-51-19-21(49-50-51)9-10-59-63(57,58)61-48-45-40-17-38(34-13-30-26-11-28(32(30)15-36(34)40)24-7-3-1-5-22(24)26)43(45)47(60-62(54,55)56)44-39-18-41(46(44)48)37-16-33-29-12-27(31(33)14-35(37)39)23-6-2-4-8-25(23)29/h1-8,13-16,19,26-29,38-41H,9-12,17-18,20H2,(H,52,53)(H,57,58)(H2,54,55,56)/t26-,27+,28+,29-,38-,39+,40+,41-","ExoSTWZ molecular tweezer","2020-03-02","2026-01-14","","2021-03-31"],["AZ8","pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione","C5 H3 N5 O2","c12c(ncnn1)C(=O)NC(=O)N2;O=C1NC(=O)c2ncnnc2N1;c1nc2c(nn1)NC(=O)NC2=O","InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12)","1,6-didemethyltoxoflavin","2016-04-18","2021-03-13","pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione","2016-05-04"],["TX0","thiophene-3-carboxylic acid","C5 H4 O2 S","O=C(O)c1ccsc1;OC(=O)c1cscc1;c1cscc1C(=O)O","InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)","","2023-08-28","2023-11-24","thiophene-3-carboxylic acid","2023-11-29"],["AZ9","6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione","C6 H5 N5 O2","c21nncnc1C(N(C)C(N2)=O)=O;CN1C(=O)Nc2nncnc2C1=O;CN1C(=O)c2c(nncn2)NC1=O","InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)","1-demethyltoxoflavin","2016-04-18","2021-03-01","6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione","2016-05-04"],["AZA","8-AZAXANTHINE","C4 H3 N5 O2","O=C2Nc1nnnc1C(=O)N2;O=C1NC(=O)c2nn[nH]c2N1;c12c([nH]nn1)NC(=O)NC2=O","InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)","","1999-07-08","2011-06-04","3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione",""],["TX1","2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate","C21 H13 Br2 Cl N2 O5","Brc2cc(Br)cc(c2OC(=O)c1ccccc1Cl)CNC(=O)c3ccccc3[N+]([O-])=O;[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccccc3Cl;c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]","InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)15-6-2-4-8-18(15)26(29)30)19(16(23)10-13)31-21(28)14-5-1-3-7-17(14)24/h1-10H,11H2,(H,25,27)","","2009-09-04","2011-06-04","2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate",""],["TX2","5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine","C12 H20 N3 O7 P S","O=P(O)(OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O)NCCS;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)NCCS)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NCCS)O)O","InChI=1S/C12H20N3O7PS/c1-7-5-15(12(18)14-11(7)17)10-4-8(16)9(22-10)6-21-23(19,20)13-2-3-24/h5,8-10,16,24H,2-4,6H2,1H3,(H2,13,19,20)(H,14,17,18)/t8-,9+,10+/m0/s1","","2009-10-01","2024-09-27","5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine",""],["AZB","4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol","C15 H16 N2 O","N(=N/c1ccc(O)cc1)c2ccc(cc2)C(C)C;CC(C)c1ccc(cc1)N=Nc2ccc(O)cc2;CC(C)c1ccc(cc1)N=Nc2ccc(cc2)O","InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+","","2011-03-14","2011-10-14","4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol",""],["TX3","2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate","C22 H16 Br2 Cl N O3","Brc2cc(Br)cc(c2OC(=O)c1ccccc1C)CNC(=O)c3ccccc3Cl;Cc1ccccc1C(=O)Oc2c(Br)cc(Br)cc2CNC(=O)c3ccccc3Cl;Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl","InChI=1S/C22H16Br2ClNO3/c1-13-6-2-3-7-16(13)22(28)29-20-14(10-15(23)11-18(20)24)12-26-21(27)17-8-4-5-9-19(17)25/h2-11H,12H2,1H3,(H,26,27)","","2009-09-04","2011-06-04","2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate",""],["AZC","N-(acetylcarbamoyl)-beta-D-glucopyranosylamine","C9 H16 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C;CC(=O)NC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(=O)NC(=O)NC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1","N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA; N-(acetylcarbamoyl)-beta-D-glucosylamine; N-(acetylcarbamoyl)-D-glucosylamine;\nN-(acetylcarbamoyl)-glucosylamine","2001-09-21","2020-07-17","N-(acetylcarbamoyl)-beta-D-glucopyranosylamine",""],["AZD","3'-AZIDO-3'-DEOXYTHYMIDINE-5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2/N=[N+]=[N-];CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]","InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","3'-azido-3'-deoxythymidine 5'-(trihydrogen diphosphate)",""],["TX4","L-THREONOHYDROXAMATE 4-PHOSPHATE","C4 H12 N O8 P","O=P(O)(O)OCC(O)C(O)C(O)NO;ON[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(NO)O)O)O)OP(=O)(O)O","InChI=1S/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/t2-,3+,4-/m0/s1","","2003-08-19","2011-06-04","(2S,3R,4S)-2,3,4-trihydroxy-4-(hydroxyamino)butyl dihydrogen phosphate",""],["TX5","(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL","C26 H40 O3","C[CH](CC#CC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3;CC(CC#CC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C","InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24?,26-/m1/s1","19-NOR-14-EPI-23-YNE-1,25 DIHYDROXYVITAMIN D3; TX522","2004-07-12","2021-03-13","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol",""],["AZE","ALL-TRANS AXEROPHTHENE","C20 H30","C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC)C)C;CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C","InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+","","1999-07-08","2024-09-27","2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexene",""],["AZF","AZAFAGOMINE","C5 H12 N2 O3","OC1C(NNCC1O)CO;OC[CH]1NNC[CH](O)[CH]1O;C1C(C(C(NN1)CO)O)O","InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1","","2006-10-08","2011-06-04","(3R,4R,5R)-3-(hydroxymethyl)hexahydropyridazine-4,5-diol",""],["TX6","(6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile","C17 H21 N3 O2","N#CC1=C(C(C3C(C1)(C)c2nc(C)nc(c2CC3)OC)C)O;COc1nc(C)nc2c1CC[CH]3[CH](C)C(=C(C[C]23C)C#N)O;Cc1nc2c(c(n1)OC)CCC3C2(CC(=C(C3C)O)C#N)C","InChI=1S/C17H21N3O2/c1-9-13-6-5-12-15(19-10(2)20-16(12)22-4)17(13,3)7-11(8-18)14(9)21/h9,13,21H,5-7H2,1-4H3/t9-,13-,17-/m0/s1","","2015-08-20","2024-09-27","(6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile","2016-08-10"],["TX7","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate","C21 H13 Br3 N2 O5","O=[N+]([O-])c1c(cccc1)C(NCc2c(c(cc(c2)Br)Br)OC(c3ccc(Br)cc3)=O)=O;[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccc(Br)cc3;c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-]","InChI=1S/C21H13Br3N2O5/c22-14-7-5-12(6-8-14)21(28)31-19-13(9-15(23)10-17(19)24)11-25-20(27)16-3-1-2-4-18(16)26(29)30/h1-10H,11H2,(H,25,27)","","2018-04-23","2018-08-03","2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate","2018-08-08"],["AZG","5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL","C4 H4 N6 O","n1c(O)c2c(nc1N)nnn2;Nc1nc(O)c2[nH]nnc2n1;c12c(nc(nc1O)N)nn[nH]2","InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)","8-AZAGUANINE","2003-11-10","2021-03-01","5-amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol",""],["AZH","AZIDOHOMOALANINE","C4 H9 N4 O2","O=C(O)C(N)CCN=[N+]=[N@H];N[CH](CCN=[N+]=N)C(O)=O;C(CN=[N+]=N)C(C(=O)O)N","InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1","","2010-08-09","2024-09-27","1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium",""],["TX9","[(1'R)-6'-hydroxy-1'-(4-{[(3S)-1-pentylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C34 H40 N2 O3","CCCCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCCCCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;CCCCCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C34H40N2O3/c1-2-3-7-19-35-20-16-25(23-35)24-39-30-13-10-26(11-14-30)32-31-15-12-29(37)21-28(31)22-34(17-18-34)36(32)33(38)27-8-5-4-6-9-27/h4-6,8-15,21,25,32,37H,2-3,7,16-20,22-24H2,1H3/t25-,32+/m0/s1","","2022-07-29","2022-11-04","[(1'R)-6'-hydroxy-1'-(4-{[(3S)-1-pentylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["TXA","threonylcarbamoyladenylate","C15 H21 N6 O11 P","O=C(O)C(NC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(O)C;C[CH](O)[CH](NC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;CC(C(C(=O)O)NC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1","","2012-03-07","2012-03-09","(3R,7S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-hydroxy-7-[(1R)-1-hydroxyethyl]-5-oxo-2,4-dioxa-6-aza-3-phosphaoctan-8-oic acid 3-oxide (non-preferred name)",""],["AZI","AZIDE ION","N3","[N-]=[N+]=[N-];[N-]=[N+]=[N-];[N-]=[N+]=[N-]","InChI=1S/N3/c1-3-2/q-1","","1999-07-08","2024-09-27","azide",""],["TXB","4-deoxy-4-thio-alpha-D-xylopyranose","C5 H10 O4 S","O[CH]1OC[CH](S)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)S","InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5+/m1/s1","(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol; THIOXYLOPYRANOSE; 4-deoxy-4-thio-alpha-D-xylose; 4-deoxy-4-thio-D-xylose;\n4-deoxy-4-thio-xylose","2015-08-26","2020-07-17","(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol","2016-09-21"],["AZJ","ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate","C23 H26 N4 O5 S","O=S(=O)(NC(=O)C2CCN(c1nc(c(C(=O)OCC)cc1C#N)C)CC2)Cc3ccccc3;CCOC(=O)c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)N[S](=O)(=O)Cc3ccccc3;CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N","InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)","","2013-12-04","2014-03-21","ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate","2014-03-26"],["TXC","2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate","C13 H20 N6 O4","O=C2NC(=Nc1c2ncn1COCCOC(=O)C(N)C(C)C)N;CC(C)[CH](N)C(=O)OCCOCn1cnc2C(=O)NC(=Nc12)N;CC(C)C(C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N","InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1","Valacyclovir","2012-04-18","2020-06-17","2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate",""],["AZK","(S)-2-AMINO-6-AZIDOHEXANOIC ACID","C6 H14 N4 O","[N-]=[N+]=N/CCCCC(N)CO;N[CH](CO)CCCCN=[N+]=[N-];C(CCN=[N+]=[N-])CC(CO)N","InChI=1S/C6H14N4O/c7-6(5-11)3-1-2-4-9-10-8/h6,11H,1-5,7H2/t6-/m0/s1","EPSILON-AZIDO-LYSINE","2005-08-04","2024-09-27","(2S)-2-amino-6-azidohexan-1-ol",""],["TXD","1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE","C21 H31 N7 O14 P2","NC(=O)[CH]1CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N","InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-2,7-11,13-16,20-21,29-32H,3-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t9?,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2007-02-15","2011-06-04","[(2R,3S,4R,5R)-5-(3-aminocarbonyl-3,6-dihydro-2H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["AZL","1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE","C21 H33 N5 O4","O=C(NNCCCCN)C2N(C(=O)C(NC(=O)OCC)Cc1ccccc1)CCC2;CCOC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NNCCCCN;CCOC(=O)NC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NNCCCCN","InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1","","1999-07-08","2011-06-04","ethyl {(2R)-1-[(2S)-2-{[2-(4-aminobutyl)hydrazinyl]carbonyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate (non-preferred name)",""],["AZM","5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE","C4 H6 N4 O3 S2","O=S(=O)(c1nnc(s1)NC(=O)C)N;CC(=O)Nc1sc(nn1)[S](N)(=O)=O;CC(=O)Nc1nnc(s1)S(=O)(=O)N","InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)","","1999-07-08","2024-09-27","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide",""],["TXE","[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph\nosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate","C21 H31 N7 O14 P2","NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC(CC=C5)C(=O)N)O)O)O)O)N","InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE","2013-10-31","2020-06-17","[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2014-10-29"],["TXF","(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL","C27 H31 N O3","O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CCCO)CCN(C)C;CN(C)CCOc1ccc(cc1)C(=C(CCCO)c2ccccc2)c3ccc(O)cc3;CN(C)CCOc1ccc(cc1)C(=C(CCCO)c2ccccc2)c3ccc(cc3)O","InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-","GSK5182","2005-11-16","2021-03-01","4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol",""],["AZN","ALIZARIN RED","C14 H8 O7 S","O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O;Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O","InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)","","2003-01-21","2011-06-04","3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",""],["TXG","(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2S)-oxiran-2-yl]hexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","C34 H44 N4 O7","O=C2C(NC(C(NC(=O)C(CCCCCC(O)(O)C1OC1)NC(C3CCCCN23)=O)Cc4ccccc4)=O)Cc5ccccc5;OC(O)(CCCCC[CH]1NC(=O)[CH]2CCCCN2C(=O)[CH](Cc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC1=O)[CH]5CO5;c1ccc(cc1)CC2C(=O)NC(C(=O)N3CCCCC3C(=O)NC(C(=O)N2)CCCCCC(C4CO4)(O)O)Cc5ccccc5","InChI=1S/C34H44N4O7/c39-30-25(16-8-3-10-18-34(43,44)29-22-45-29)35-32(41)28-17-9-11-19-38(28)33(42)27(21-24-14-6-2-7-15-24)37-31(40)26(36-30)20-23-12-4-1-5-13-23/h1-2,4-7,12-15,25-29,43-44H,3,8-11,16-22H2,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28+,29-/m0/s1","","2017-04-17","2017-09-01","(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2S)-oxiran-2-yl]hexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","2017-09-06"],["AZO","METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE","C22 H17 N3 O5","O=C(OC)C(=COC)c3ccccc3Oc2ncnc(Oc1c(C#N)cccc1)c2;COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2;COC=C(c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)C(=O)OC","InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+","AZOXYSTROBIN","2004-03-28","2021-03-01","methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate",""],["AZP","(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE","C32 H43 N5 O9","O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2)CCC(=O)N;CCOC(=O)[CH](O)CC(=O)N(CCC(N)=O)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2;CCOC(=O)C(CC(=O)N(CCC(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2)O","InChI=1S/C32H43N5O9/c1-4-45-31(43)26(38)19-28(40)37(16-15-27(33)39)36-30(42)25(18-22-11-7-5-8-12-22)34-29(41)24(17-21(2)3)35-32(44)46-20-23-13-9-6-10-14-23/h5-14,21,24-26,38H,4,15-20H2,1-3H3,(H2,33,39)(H,34,41)(H,35,44)(H,36,42)/t24-,25-,26-/m0/s1","","2005-07-25","2024-09-27","ethyl (5S,8S,14S)-11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate (non-preferred name)",""],["TXH","~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate","C17 H22 N4 O4","CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)NNC=O;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NNC=O","InChI=1S/C17H22N4O4/c1-17(2,3)25-16(24)20-14(15(23)21-19-10-22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14,18H,8H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t14-/m0/s1","","2023-01-13","2024-09-27","~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate","2023-01-25"],["AZQ","AZAPROPAZONE","C16 H20 N4 O2","CCC[CH]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C;CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C","InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1","","2005-07-25","2018-05-18","5-(dimethylamino)-9-methyl-2-propyl-pyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione",""],["TXI","(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide","C10 H18 Cl N O4","O=C(NCCC(=O)CCl)C(O)C(C)(C)CO;CC(C)(CO)[CH](O)C(=O)NCCC(=O)CCl;CC(C)(CO)C(C(=O)NCCC(=O)CCl)O","InChI=1S/C10H18ClNO4/c1-10(2,6-13)8(15)9(16)12-4-3-7(14)5-11/h8,13,15H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1","","2011-09-06","2024-09-27","(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide",""],["TXJ","[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid","C8 H16 N3 O12 P3","NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1;C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1","","2023-05-10","2024-05-03","[(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid","2024-05-08"],["AZR","2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid","C13 H19 N5 O8 S2","O=S(=O)(O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c1nc(sc1)N;C[CH](N[S](O)(=O)=O)[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)C=O;CC(C(C=O)NC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)NS(=O)(=O)O","InChI=1S/C13H19N5O8S2/c1-6(18-28(23,24)25)7(4-19)15-10(20)9(8-5-27-12(14)16-8)17-26-13(2,3)11(21)22/h4-7,18H,1-3H3,(H2,14,16)(H,15,20)(H,21,22)(H,23,24,25)/b17-9-/t6-,7+/m0/s1","AZTREONAM, open form","2000-09-12","2024-09-27","2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid",""],["TXK","[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C33 H38 N2 O2","CCCN1CCC(C1)CCc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCCN1CC[CH](CCc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;CCCN1CCC(C1)CCc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C33H38N2O2/c1-2-19-34-20-16-25(23-34)9-8-24-10-12-26(13-11-24)31-30-15-14-29(36)21-28(30)22-33(17-18-33)35(31)32(37)27-6-4-3-5-7-27/h3-7,10-15,21,25,31,36H,2,8-9,16-20,22-23H2,1H3/t25-,31-/m1/s1","","2022-07-29","2022-11-04","[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-09"],["AZS","O-DIAZOACETYL-L-SERINE","C5 H7 N3 O4","O=C(OCC(N)C(=O)O)C=[N+]=[N-];N[CH](COC(=O)C=[N+]=[N-])C(O)=O;C(C(C(=O)O)N)OC(=O)C=[N+]=[N-]","InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1","ASASERINE","2007-09-20","2024-09-27","O-(diazoacetyl)-L-serine",""],["TXL","TAXOTERE","C43 H53 N O14","O=C(OC(C)(C)C)NC(c1ccccc1)C(O)C(=O)OC4C(=C3C(O)C(=O)C6(C(C(OC(=O)c2ccccc2)C(O)(C3(C)C)C4)C5(OC(=O)C)C(OC5)CC6O)C)C;CC(=O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[CH](OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](O)[CH](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([CH](O)C3=O)C5(C)C)C;CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O","InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1","","1999-07-08","2011-06-04","(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate",""],["AZT","3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE","C10 H16 N5 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2N=[N+]=[N-];CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]","InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","3'-azido-3'-deoxythymidine 5'-(tetrahydrogen triphosphate)",""],["TXM","(2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid","C20 H18 O3 S","c3cc1c(c(C(C(C)C)C(O)=O)c(o1)C#Cc2sccc2)cc3C;CC(C)[CH](C(O)=O)c1c(oc2ccc(C)cc12)C#Cc3sccc3;Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)C(C(C)C)C(=O)O","InChI=1S/C20H18O3S/c1-12(2)18(20(21)22)19-15-11-13(3)6-8-16(15)23-17(19)9-7-14-5-4-10-24-14/h4-6,8,10-12,18H,1-3H3,(H,21,22)/t18-/m0/s1","","2020-04-02","2021-04-02","(2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid","2021-04-07"],["AZU","2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate","C10 H15 N3 O4 S","CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O;CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O","InChI=1S/C10H15N3O4S/c1-10(2,3)5-17-6(14)4-18-8-7(15)11-9(16)13-12-8/h4-5H2,1-3H3,(H2,11,13,15,16)","","2015-11-11","2020-05-27","2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate","2016-04-20"],["TXN","(2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(3R,4R)-4-({[(S)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (S)-phosphate","C37 H52 N15 O20 P3","O=C9N=C(N=C1C9=NCN1C8OC(CO)C(OP(=O)(O)OCC7CN(Cc3c2ncnc(N)c2nc3)CC7OP(=O)(O)OCC6OC(n4cnc5c4NC(=NC5=O)N)C(OC)C6OP(=O)(OCCCO)O)C8OC)N;CO[CH]1[CH](O[P](O)(=O)OC[CH]2CN(C[CH]2O[P](O)(=O)OC[CH]3O[CH]([CH](OC)[CH]3O[P](O)(=O)OCCCO)n4cnc5C(=O)N=C(N)Nc45)Cc6c[nH]c7c(N)ncnc67)[CH](CO)O[CH]1N8CN=C9C(=O)N=C(N)N=C89;COC1C(C(OC1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OC4CN(CC4COP(=O)(O)OC5C(OC(C5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)OP(=O)(O)OCCCO","InChI=1S/C37H52N15O20P3/c1-63-27-25(19(10-54)68-34(27)51-14-44-23-30(51)46-36(39)48-32(23)55)71-75(61,62)66-11-17-8-50(7-16-6-41-22-21(16)42-13-43-29(22)38)9-18(17)70-74(59,60)67-12-20-26(72-73(57,58)65-5-3-4-53)28(64-2)35(69-20)52-15-45-24-31(52)47-37(40)49-33(24)56/h6,13,15,17-20,25-28,34-35,41,53-54H,3-5,7-12,14H2,1-2H3,(H,57,58)(H,59,60)(H,61,62)(H2,38,42,43)(H2,39,48,55)(H3,40,47,49,56)/t17-,18+,19-,20-,25-,26-,27-,28-,34-,35-/m1/s1","","2009-05-22","2011-06-04","(2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(3R,4R)-4-({[(S)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (S)-phosphate (non-preferred name)",""],["AZV","N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine","C26 H31 F3 N4 O4 S","O=C(NCc1ccc(NC(C(=O)O)C(C)C)cc1)C3SCCN3C(=O)CC(N)Cc2cc(F)c(F)cc2F;CC(C)[CH](Nc1ccc(CNC(=O)[CH]2SCCN2C(=O)C[CH](N)Cc3cc(F)c(F)cc3F)cc1)C(O)=O;CC(C)C(C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)CC(Cc3cc(c(cc3F)F)F)N","InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25-/m1/s1","","2011-01-18","2011-06-04","N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine",""],["AZW","4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate","C14 H15 N2 O5 P","P(O)(OCc1ccc(cc1)N=Nc2ccc(cc2)CO)(O)=O;OCc1ccc(cc1)N=Nc2ccc(CO[P](O)(O)=O)cc2;c1cc(ccc1CO)N=Nc2ccc(cc2)COP(=O)(O)O","InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+","","2015-12-04","2016-02-12","4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate","2016-02-17"],["TXO","5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid","C15 H9 F6 N O4","FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)Oc1ccccc1;OC(=O)c1cc(Oc2ccccc2)c(OCC(F)(F)F)nc1C(F)(F)F;c1ccc(cc1)Oc2cc(c(nc2OCC(F)(F)F)C(F)(F)F)C(=O)O","InChI=1S/C15H9F6NO4/c16-14(17,18)7-25-12-10(26-8-4-2-1-3-5-8)6-9(13(23)24)11(22-12)15(19,20)21/h1-6H,7H2,(H,23,24)","","2023-05-09","2023-06-09","5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid","2023-06-14"],["TXP","1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE","C21 H32 N7 O17 P3","NC(=O)[CH]1CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC=CC(C5)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H32N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-2,7-11,13-16,20-21,29-31H,3-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t9-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1","","2007-02-15","2011-06-04","[(2R,3S,4R,5R)-5-[(3S)-3-aminocarbonyl-3,6-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["AZX","4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE","C19 H18 Cl F3 N2 O5 S","Clc1cc(ccc1NC(=O)C(O)(C)C(F)(F)F)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2;CN(C)C(=O)c1ccc(cc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O)C(F)(F)F)c(Cl)c2;CC(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O","InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1","","2007-06-12","2011-06-04","4-[(3-chloro-4-{[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-N,N-dimethylbenzamide",""],["TXQ","1,2,5,8-tetrahydroxyanthracene-9,10-dione","C14 H8 O6","O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O;Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O;c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O","InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H","1,2,5,8-tetrahydroxy-anthraquinone","2008-12-22","2020-06-17","1,2,5,8-tetrahydroxyanthracene-9,10-dione",""],["AZY","3-AZIDO-L-TYROSINE","C9 H10 N4 O3","O=C(O)C(N)Cc1ccc(O)c(N=[N+]=[N-])c1;N[CH](Cc1ccc(O)c(c1)N=[N+]=[N-])C(O)=O;c1cc(c(cc1CC(C(=O)O)N)N=[N+]=[N-])O","InChI=1S/C9H10N4O3/c10-6(9(15)16)3-5-1-2-8(14)7(4-5)12-13-11/h1-2,4,6,14H,3,10H2,(H,15,16)/t6-/m0/s1","","2007-07-11","2011-06-04","3-azido-L-tyrosine",""],["AZZ","3'-azido-3'-deoxythymidine","C10 H13 N5 O4","O=C1NC(=O)N(C=C1C)C2OC(C(N=[N+]=[N-])C2)CO;CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]","InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1","Azidothymidine; Zidovudine","2007-11-14","2020-06-17","3'-azido-3'-deoxythymidine",""],["TXR","5-(3-carboxyphenyl)furan-2-carboxylic acid","C12 H8 O5","OC(=O)c1oc(cc1)c2cccc(c2)C(O)=O;c1cc(cc(c1)C(=O)O)c2ccc(o2)C(=O)O","InChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16)","","2023-08-30","2023-11-10","5-(3-carboxyphenyl)furan-2-carboxylic acid","2023-11-15"],["TXS","1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione","C14 H21 N3 O4","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3;CC1=CN([CH]2C[CH](O)[CH](CN3CCCC3)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3CCCC3)O","InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1","5'-deoxy-5'-pyrrolidin-1-ylthymidine","2008-05-28","2020-06-17","1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["B00","2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one","C14 H15 N3 O","O=C1C=C(N=C(N)N1C)C3CC3c2ccccc2;CN1C(=NC(=CC1=O)[CH]2C[CH]2c3ccccc3)N;CN1C(=O)C=C(N=C1N)C2CC2c3ccccc3","InChI=1S/C14H15N3O/c1-17-13(18)8-12(16-14(17)15)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H2,15,16)/t10-,11-/m0/s1","","2012-07-26","2012-10-19","2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one","2012-10-19"],["TXT","4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-allopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose","C31 H55 N O23","O(C1C(OC(O)C(O)C1O)CO)C5OC(C(OC4OC(CO)C(OC3OC(C)C(NC2CC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O)O[CH]4CO)[CH](O)[CH](O)[CH]1N[CH]5C[CH](CO)[CH](O)[CH](O)[CH]5O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)NC5CC(C(C(C5O)O)O)CO","InChI=1S/C31H55NO23/c1-7-13(32-9-2-8(3-33)14(37)17(40)15(9)38)16(39)22(45)29(49-7)53-26-11(5-35)51-31(23(46)19(26)42)55-27-12(6-36)52-30(24(47)20(27)43)54-25-10(4-34)50-28(48)21(44)18(25)41/h7-48H,2-6H2,1H3/t7-,8+,9+,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1","","2009-09-29","2011-06-04","4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-allopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["B01","D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide","C20 H23 Cl N4 O2","O=C(NCc1nccc(Cl)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccn3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cc(ccn3)Cl)N","InChI=1S/C20H23ClN4O2/c21-15-8-9-23-16(12-15)13-24-19(26)18-7-4-10-25(18)20(27)17(22)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,17-18H,4,7,10-11,13,22H2,(H,24,26)/t17-,18+/m1/s1","","2011-06-22","2012-06-15","D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide",""],["TXU","N-methylmyosmine","C10 H12 N2","CN1CCC=C1c1cnccc1;CN1CCC=C1c2cccnc2;CN1CCC=C1c2cccnc2","InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3","","2022-07-29","2023-07-21","(3P)-3-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridine","2023-07-26"],["B02","2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one","C21 H21 N3 O","O=C1C=C(N=C(N)N1C)C4CC4c3ccc(c2cccc(c2)C)cc3;CN1C(=NC(=CC1=O)[CH]2C[CH]2c3ccc(cc3)c4cccc(C)c4)N;Cc1cccc(c1)c2ccc(cc2)C3CC3C4=CC(=O)N(C(=N4)N)C","InChI=1S/C21H21N3O/c1-13-4-3-5-16(10-13)14-6-8-15(9-7-14)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1","","2012-07-26","2012-10-19","2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one","2012-10-19"],["TXV","~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide","C25 H17 Cl F2 N4 O2","CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(F)c(c2F)C(=O)c3c[nH]c4ncc(Cl)cc34;CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F","InChI=1S/C25H17ClF2N4O2/c1-25(2,12-29)14-5-3-4-13(8-14)24(34)32-19-7-6-18(27)20(21(19)28)22(33)17-11-31-23-16(17)9-15(26)10-30-23/h3-11H,1-2H3,(H,30,31)(H,32,34)","","2023-01-18","2023-02-17","~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide","2023-02-22"],["B03","D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide","C20 H24 N4 O2","O=C(NCc1ncccc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccccn3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccccn3)N","InChI=1S/C20H24N4O2/c21-17(13-15-7-2-1-3-8-15)20(26)24-12-6-10-18(24)19(25)23-14-16-9-4-5-11-22-16/h1-5,7-9,11,17-18H,6,10,12-14,21H2,(H,23,25)/t17-,18+/m1/s1","","2011-06-22","2012-06-15","D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide",""],["TXW","5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one","C12 H14 N2 O","O=C2C=Cc1c(nc(cc1N2)CCC)C;CCCc1cc2NC(=O)C=Cc2c(C)n1;CCCc1cc2c(c(n1)C)C=CC(=O)N2","InChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15)","","2014-05-30","2015-01-09","5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one","2015-01-14"],["B04","D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide","C21 H27 N4 O2","O=C(NCc1[n+](cccc1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3;C[n+]1ccccc1CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3;C[n+]1ccccc1CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N","InChI=1S/C21H26N4O2/c1-24-12-6-5-10-17(24)15-23-20(26)19-11-7-13-25(19)21(27)18(22)14-16-8-3-2-4-9-16/h2-6,8-10,12,18-19H,7,11,13-15,22H2,1H3/p+1/t18-,19+/m1/s1","","2011-06-22","2012-06-15","D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide",""],["TXY","3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine","C9 H13 N O4","O=C(O)C(N)CC1=CC=C(O)C(O)C1;N[CH](CC1=CC=C(O)[CH](O)C1)C(O)=O;C1C(C(=CC=C1CC(C(=O)O)N)O)O","InChI=1S/C9H13NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,6,8,11-12H,3-4,10H2,(H,13,14)/t6-,8-/m0/s1","","2013-05-27","2024-09-27","3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine","2014-06-25"],["B05","N-[2-(benzyloxy)phenyl]-3-nitrobenzamide","C20 H16 N2 O4","O=[N+]([O-])c3cc(C(=O)Nc1c(cccc1)OCc2ccccc2)ccc3;[O-][N+](=O)c1cccc(c1)C(=O)Nc2ccccc2OCc3ccccc3;c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]","InChI=1S/C20H16N2O4/c23-20(16-9-6-10-17(13-16)22(24)25)21-18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)","","2015-09-29","2024-09-27","N-[2-(benzyloxy)phenyl]-3-nitrobenzamide","2016-09-21"],["TXZ","O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine","C10 H20 N O7 P S","O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCCS;C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCS)C(O)=O;CC(C(C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O","InChI=1S/C10H20NO7PS/c1-7(18-19(15,16)17)9(10(13)14)11-8(12)5-3-2-4-6-20/h7,9,20H,2-6H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)/t7-,9+/m1/s1","","2010-03-12","2011-06-04","O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine",""],["B06","3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid","C16 H10 F3 N O3","OC(=O)c1cccc2CN(C(=O)c12)c3cccc(c3)C(F)(F)F;c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F","InChI=1S/C16H10F3NO3/c17-16(18,19)10-4-2-5-11(7-10)20-8-9-3-1-6-12(15(22)23)13(9)14(20)21/h1-7H,8H2,(H,22,23)","","2016-06-20","2017-02-10","3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid","2017-02-15"],["TY0","(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one","C14 H21 N O3","O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1;CC(C)(C)Oc1ccc(C[CH](N)C(=O)CO)cc1;CC(C)(C)Oc1ccc(cc1)CC(C(=O)CO)N","InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1","Z-Phe-Tyr(OBut)-COCHO","2010-11-01","2020-06-17","(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one",""],["B07","2,6 DIMETHOXYBENZAMIDOBORONIC ACID","C10 H14 B N O5","O=C(c1c(OC)cccc1OC)NCB(O)O;COc1cccc(OC)c1C(=O)NCB(O)O;B(CNC(=O)c1c(cccc1OC)OC)(O)O","InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)","","2011-07-27","2024-09-27","{[(2,6-dimethoxybenzoyl)amino]methyl}boronic acid",""],["TY1","O-tert-butyl-L-tyrosine","C13 H19 N O3","O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1;CC(C)(C)Oc1ccc(C[CH](N)C(O)=O)cc1;CC(C)(C)Oc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1","","2010-10-06","2024-09-27","O-tert-butyl-L-tyrosine",""],["B08","(1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID","C20 H20 O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccc(c1)c3cccc(c2ccccc2)c3;OC(Cc1cccc(c1)c2cccc(c2)c3ccccc3)([P](O)(O)=O)[P](O)(O)=O;c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)","[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YL)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","2007-01-30","2021-03-13","[1-hydroxy-2-(1,1':3',1''-terphenyl-3-yl)ethane-1,1-diyl]bis(phosphonic acid)",""],["B09","N-methoxybenzenesulfonamide","C7 H9 N O3 S","O=S(=O)(NOC)c1ccccc1;CON[S](=O)(=O)c1ccccc1;CONS(=O)(=O)c1ccccc1","InChI=1S/C7H9NO3S/c1-11-8-12(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3","","2011-08-02","2012-06-15","N-methoxybenzenesulfonamide",""],["TY2","3-AMINO-L-TYROSINE","C9 H12 N2 O3","O=C(O)C(N)Cc1ccc(O)c(N)c1;N[CH](Cc1ccc(O)c(N)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)N)O","InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1","","2007-11-17","2024-09-27","3-amino-L-tyrosine",""],["TY3","3-HYDROXY-L-TYROSINE","C9 H11 N O4","O=C(O)C(N)Cc1cc(O)c(O)cc1;N[CH](Cc1ccc(O)c(O)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)O)O","InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/f/h13H","","2007-11-17","2009-01-07","3-hydroxy-L-tyrosine",""],["B0A","~{N}-cyclohexyl-2-phenoxy-ethanamide","C14 H19 N O2","O=C(COc1ccccc1)NC2CCCCC2;c1ccc(cc1)OCC(=O)NC2CCCCC2","InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)","","2017-07-28","2018-08-03","~{N}-cyclohexyl-2-phenoxy-ethanamide","2018-08-08"],["TY4","4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate","C22 H15 Br Cl3 N O3","Brc2cc(c(OC(=O)c1ccc(Cl)cc1Cl)c(c2)CNC(=O)c3ccccc3Cl)C;Cc1cc(Br)cc(CNC(=O)c2ccccc2Cl)c1OC(=O)c3ccc(Cl)cc3Cl;Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br","InChI=1S/C22H15BrCl3NO3/c1-12-8-14(23)9-13(11-27-21(28)16-4-2-3-5-18(16)25)20(12)30-22(29)17-7-6-15(24)10-19(17)26/h2-10H,11H2,1H3,(H,27,28)","","2009-09-08","2011-06-04","4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate",""],["B0B","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","C27 H42 O2","CC(C)=CCC[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(=CCCC(C)(C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C)O)C","InChI=1S/C27H42O2/c1-19(2)8-6-17-27(5,29)25-15-14-24-21(9-7-16-26(24,25)4)11-12-22-18-23(28)13-10-20(22)3/h8,11-12,23-25,28-29H,3,6-7,9-10,13-18H2,1-2,4-5H3/b21-11+,22-12-/t23-,24-,25-,26-,27-/m0/s1","","2017-08-31","2018-02-02","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","2018-02-07"],["TY5","O-benzyl-L-tyrosine","C16 H17 N O3","O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2;N[CH](Cc1ccc(OCc2ccccc2)cc1)C(O)=O;c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)N","InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1","","2010-12-10","2024-09-27","O-benzyl-L-tyrosine",""],["B0C","N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide","C24 H35 N5 O3","N1(CCN(C)CC1)CC(Nc2ccc(c(c2)C3=NC(CC)=C(CC)C(N3)=O)OCCC)=O;CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1C3=NC(=C(CC)C(=O)N3)CC;CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C","InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31)","","2018-12-13","2019-12-06","N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide","2019-12-11"],["TY6","(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol","C6 H15 N3 O5","NNNC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)NNN","InChI=1S/C6H15N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,8-13H,1,7H2/t2-,3+,4-,5+,6-/m0/s1","","2023-05-11","2023-09-29","(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol","2023-10-04"],["B0D","(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","C6 H10 F2 O5","FC1OC(F)(C(O)C(O)C1O)CO;OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O;C(C1(C(C(C(C(O1)F)O)O)O)F)O","InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1","","2009-08-18","2020-07-17","(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)",""],["TY8","2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine","C9 H11 N O7","O=C(O)C(N)Cc1c(OO)cc(OO)c(O)c1;N[CH](Cc1cc(O)c(OO)cc1OO)C(O)=O;c1c(c(cc(c1O)OO)OO)CC(C(=O)O)N","InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)3-7(4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1","","2010-07-19","2024-09-27","2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine",""],["B0E","1,3-bis(oxidanyl)benzo[c]chromen-6-one","C13 H8 O4","Oc1cc(O)c2c(OC(=O)c3ccccc23)c1;c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O","InChI=1S/C13H8O4/c14-7-5-10(15)12-8-3-1-2-4-9(8)13(16)17-11(12)6-7/h1-6,14-15H","","2017-08-31","2018-10-05","1,3-bis(oxidanyl)benzo[c]chromen-6-one","2018-10-10"],["B0F","(4R)-3-[(2S,3S)-3-[2-[4-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide","C45 H56 N6 O8 S2","Cc1cc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)cc(C)c1OCC(=O)N[CH](Cc4ccccc4)[CH](O)C(=O)N5CSC(C)(C)[CH]5C(=O)N[CH]6[CH](O)Cc7ccccc67;Cc1cc(cc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC4c5ccccc5CC4O)(C)C)O)C)NC(=O)CCCCC6C7C(CS6)NC(=O)N7","InChI=1S/C45H56N6O8S2/c1-25-18-29(46-35(53)17-11-10-16-34-38-32(23-60-34)48-44(58)50-38)19-26(2)40(25)59-22-36(54)47-31(20-27-12-6-5-7-13-27)39(55)43(57)51-24-61-45(3,4)41(51)42(56)49-37-30-15-9-8-14-28(30)21-33(37)52/h5-9,12-15,18-19,31-34,37-39,41,52,55H,10-11,16-17,20-24H2,1-4H3,(H,46,53)(H,47,54)(H,49,56)(H2,48,50,58)/t31-,32-,33+,34-,37-,38-,39-,41+/m0/s1","","2018-12-20","2019-05-17","(4~{R})-3-[(2~{S},3~{S})-3-[2-[4-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide","2019-05-22"],["TY9","3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine","C9 H11 N O7","O=C(O)C(N)Cc1cc(O)c(OO)c(OO)c1;N[CH](Cc1cc(O)c(OO)c(OO)c1)C(O)=O;c1c(cc(c(c1O)OO)OO)CC(C(=O)O)N","InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)7(3-4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1","","2010-07-19","2024-09-27","3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine",""],["TYA","PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER","C19 H24 N6 O8 P","[O-]P(=O)(OCC(N)Cc1ccc(O)cc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;N[CH](CO[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccc(O)cc4;c1cc(ccc1CC(COP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O","InChI=1S/C19H25N6O8P/c20-11(5-10-1-3-12(26)4-2-10)6-31-34(29,30)32-7-13-15(27)16(28)19(33-13)25-9-24-14-17(21)22-8-23-18(14)25/h1-4,8-9,11,13,15-16,19,26-28H,5-7,20H2,(H,29,30)(H2,21,22,23)/p-1/t11-,13+,15+,16+,19+/m0/s1","","1999-07-08","2011-06-04","5'-O-({[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]oxy}phosphinato)adenosine",""],["B0G","(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate","C13 H17 N O3","OC1CCN(CC1)C(=O)OCc2ccccc2;c1ccc(cc1)COC(=O)N2CCC(CC2)O","InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2","","2017-07-28","2018-08-03","(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate","2018-08-08"],["TYB","TYROSINAL","C9 H11 N O2","O=CC(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)C=O;c1cc(ccc1CC(C=O)N)O","InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1","","2000-12-01","2024-09-27","(2S)-2-amino-3-(4-hydroxyphenyl)propanal",""],["B0H","~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide","C17 H24 N4 O2 S","C[CH]1C[CH](C)CN(C1)Cc2csc(NC(=O)c3oc(C)nc3C)n2;Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3CC(CC(C3)C)C","InChI=1S/C17H24N4O2S/c1-10-5-11(2)7-21(6-10)8-14-9-24-17(19-14)20-16(22)15-12(3)18-13(4)23-15/h9-11H,5-8H2,1-4H3,(H,19,20,22)/t10-,11+","","2017-09-01","2018-06-22","~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide","2018-06-27"],["TYC","L-TYROSINAMIDE","C9 H12 N2 O2","O=C(N)C(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)C(N)=O;c1cc(ccc1CC(C(=O)N)N)O","InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1","","2004-12-06","2024-09-27","L-tyrosinamide",""],["B0I","3,3'-dimethyl-1,1'-biphenyl","C14 H14","Cc2cc(c1cc(C)ccc1)ccc2;Cc1cccc(c1)c2cccc(C)c2;Cc1cccc(c1)c2cccc(c2)C","InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3","","2017-08-15","2024-09-27","3,3'-dimethyl-1,1'-biphenyl","2018-02-21"],["TYD","THYMIDINE-5'-DIPHOSPHATE","C10 H16 N2 O11 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","thymidine 5'-(trihydrogen diphosphate)",""],["B0J","4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol","C14 H21 N O2","CC1(C)C[CH](CCO1)NCc2ccc(O)cc2;CC1(CC(CCO1)NCc2ccc(cc2)O)C","InChI=1S/C14H21NO2/c1-14(2)9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h3-6,12,15-16H,7-10H2,1-2H3/t12-/m0/s1","","2017-07-28","2018-08-03","4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol","2018-08-08"],["B0K","3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine","C10 H9 Br4 N3","NCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12;c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br","InChI=1S/C10H9Br4N3/c11-5-6(12)8(14)10-9(7(5)13)16-4-17(10)3-1-2-15/h4H,1-3,15H2","","2017-09-01","2018-07-20","3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine","2018-07-25"],["TYE","4-[(2S)-2-amino-3-hydroxypropyl]phenol","C9 H13 N O2","Oc1ccc(cc1)CC(N)CO;N[CH](CO)Cc1ccc(O)cc1;c1cc(ccc1CC(CO)N)O","InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1","tyrosinol; bound form of TYROSINAL","2010-10-11","2024-09-27","4-[(2S)-2-amino-3-hydroxypropyl]phenol",""],["B0L","4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one","C22 H25 N O3","c1ccccc1C=2C(=C(C(C(C)CCCC=[C@H]C=[C@H]C)=O)C(=O)NC=2)O;CC=CC=CCCC[CH](C)C(=O)C1=C(O)C(=CNC1=O)c2ccccc2;CC=CC=CCCCC(C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O","InChI=1S/C22H25NO3/c1-3-4-5-6-7-9-12-16(2)20(24)19-21(25)18(15-23-22(19)26)17-13-10-8-11-14-17/h3-6,8,10-11,13-16H,7,9,12H2,1-2H3,(H2,23,25,26)/b4-3+,6-5+/t16-/m0/s1","","2018-12-21","2019-07-12","4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one","2019-07-17"],["TYF","(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid","C9 H10 O4","O=C(O)C(O)Cc1ccc(O)cc1;O[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)O)O","InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1","","2013-10-01","2024-09-27","(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid","2013-10-30"],["B0M","1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone","C14 H17 N3 O","CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2;CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2","InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3","","2017-07-28","2018-08-03","1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone","2018-08-08"],["TYG","8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one","C15 H13 N3 O S","c1cc3c(c(C)c1)N=C(CSc2ccncc2)NC3=O;Cc1cccc2C(=O)NC(=Nc12)CSc3ccncc3;Cc1cccc2c1N=C(NC2=O)CSc3ccncc3","InChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19)","","2020-04-02","2021-03-19","8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one","2021-03-24"],["TYI","3,5-DIIODOTYROSINE","C9 H9 I2 N O3","Ic1cc(cc(I)c1O)CC(C(=O)O)N;N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O;c1c(cc(c(c1I)O)I)CC(C(=O)O)N","InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1","","1999-07-08","2024-09-27","3,5-diiodo-L-tyrosine",""],["B0N","[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol","C15 H15 N3 O","Cn1nnc2ccc(Cc3cccc(CO)c3)cc12;Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO","InChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3","","2017-09-04","2018-10-05","[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol","2018-10-10"],["TYJ","2,5-dihydroxy-N-methyl-L-tyrosine","C10 H13 N O5","O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1;CN[CH](Cc1cc(O)c(O)cc1O)C(O)=O;CNC(Cc1cc(c(cc1O)O)O)C(=O)O","InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1","","2011-02-09","2024-09-27","2,5-dihydroxy-N-methyl-L-tyrosine",""],["B0O","(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one","C22 H25 N O2","C2(=O)C=1C4C(C(C=CC)OC=1C(=CN2)c3ccccc3)CCCC4C;CC=C[CH]1OC2=C([CH]3[CH](C)CCC[CH]13)C(=O)NC=C2c4ccccc4;CC=CC1C2CCCC(C2C3=C(O1)C(=CNC3=O)c4ccccc4)C","InChI=1S/C22H25NO2/c1-3-8-18-16-12-7-9-14(2)19(16)20-21(25-18)17(13-23-22(20)24)15-10-5-4-6-11-15/h3-6,8,10-11,13-14,16,18-19H,7,9,12H2,1-2H3,(H,23,24)/b8-3+/t14-,16+,18+,19+/m0/s1","","2018-12-21","2019-07-12","(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one","2019-07-17"],["B0Q","~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide","C18 H16 N6 O","Cn1nnc2ccc(NC(=O)c3nccn3Cc4ccccc4)cc12;Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4","InChI=1S/C18H16N6O/c1-23-16-11-14(7-8-15(16)21-22-23)20-18(25)17-19-9-10-24(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,25)","","2017-09-04","2018-10-05","~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide","2018-10-10"],["TYK","TYLOSIN","C46 H77 N O17","O=C4C=CC(=CC(COC1OC(C(O)C(OC)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC=O)CC4C)CC)C;CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](O)[CH](C)O3)[CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O)C=CC(=C[CH]1CO[CH]4O[CH](C)[CH](O)[CH](OC)[CH]4OC)C;CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC","InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1","","2001-10-31","2011-06-04","[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside",""],["TYL","N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)","C8 H9 N O2","O=C(Nc1ccc(O)cc1)C;CC(=O)Nc1ccc(O)cc1;CC(=O)Nc1ccc(cc1)O","InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)","","1999-07-08","2011-06-04","N-(4-hydroxyphenyl)acetamide",""],["B0R","2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide","C17 H17 F2 N5 O4 S","O=S(=O)(Nc1ccc(F)c(c1F)C(=O)Nc2cc3c(OC)nnc3nc2)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(OC)c3c2)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F","InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)","","2011-09-20","2011-09-30","2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide",""],["TYM","TRYPTOPHANYL-5'AMP","C21 H24 N7 O8 P","O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc5c4ccccc4nc5;N[CH](Cc1c[nH]c2ccccc12)C(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;c1ccc2c(c1)c(c[nH]2)CC(C(=O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N","InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1","","2001-03-08","2011-06-04","5'-O-[(R)-{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["B0S","tridecylboronic acid","C13 H29 B O2","OB(O)CCCCCCCCCCCCC;CCCCCCCCCCCCCB(O)O;B(CCCCCCCCCCCCC)(O)O","InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3","","2013-08-09","2024-09-27","tridecylboronic acid","2013-08-28"],["TYN","AMINOBENZOFURAZAN-O-TYROSINE","C15 H16 N4 O4","O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3;N[CH](Cc1ccc(Oc2ccc(N)c3NONc23)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)Oc2ccc(c3c2NON3)N","InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1","","1999-07-08","2024-09-27","O-(7-amino-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)-L-tyrosine",""],["B0T","(2S)-6-[[[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C26 H32 N2 O7","O=C(NC(C)CC)c1ccccc1CN(C)Cc3ccc2OC(COc2c3C(=O)O)CCC(=O)O;CC[CH](C)NC(=O)c1ccccc1CN(C)Cc2ccc3O[CH](CCC(O)=O)COc3c2C(O)=O;CCC(C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OCC(O3)CCC(=O)O","InChI=1S/C26H32N2O7/c1-4-16(2)27-25(31)20-8-6-5-7-17(20)13-28(3)14-18-9-11-21-24(23(18)26(32)33)34-15-19(35-21)10-12-22(29)30/h5-9,11,16,19H,4,10,12-15H2,1-3H3,(H,27,31)(H,29,30)(H,32,33)/t16-,19-/m0/s1","","2013-11-13","2014-09-05","(2S)-6-{[{2-[(2S)-butan-2-ylcarbamoyl]benzyl}(methyl)amino]methyl}-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-27"],["B0U","3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid","C9 H19 N O5","NCCOCCOCCOCCC(O)=O;C(COCCOCCOCCN)C(=O)O","InChI=1S/C9H19NO5/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12/h1-8,10H2,(H,11,12)","","2018-12-27","2019-08-23","3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid","2019-08-28"],["TYO","(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID","C9 H13 N O5","O=C(O)C(N)CC(C=CO)=CC=COO;N[CH](CC(C=CO)=CC=COO)C(O)=O;C(C(C(=O)O)N)C(=CC=COO)C=CO","InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1","","2006-09-22","2024-09-27","(2S,4Z,6E)-2-amino-7-hydroperoxy-4-[(E)-2-hydroxyethenyl]hepta-4,6-dienoic acid",""],["TYP","CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR","C14 H16 N2 O3","O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3;Oc1ccc(C[CH]2NC(=O)[CH]3CCCN3C2=O)cc1;c1cc(ccc1CC2C(=O)N3CCCC3C(=O)N2)O","InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1","(3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE","2004-06-24","2020-06-17","(3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",""],["B0V","2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide","C12 H17 N O2","COCC(=O)Nc1c(C)cc(C)cc1C;Cc1cc(c(c(c1)C)NC(=O)COC)C","InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)","","2017-07-28","2018-08-03","2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide","2018-08-08"],["TYQ","3-AMINO-6-HYDROXY-TYROSINE","C9 H12 N2 O4","O=C(O)C(N)Cc1c(O)cc(O)c(N)c1;N[CH](Cc1cc(N)c(O)cc1O)C(O)=O;c1c(c(cc(c1N)O)O)CC(C(=O)O)N","InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1","","1999-08-26","2024-09-27","3-amino-6-hydroxy-L-tyrosine",""],["B0W","4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid","C15 H17 N3 O7","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)C(O)=O;c1cc(ccc1c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O)C(=O)O","InChI=1S/C15H17N3O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-16-13(17-18-14)6-1-3-7(4-2-6)15(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1","","2017-09-05","2018-02-23","4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid","2018-02-28"],["TYR","TYROSINE","C9 H11 N O3","O=C(O)C(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)O","InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1","","1999-07-08","2024-09-27","L-tyrosine",""],["B0X","3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","C23 H21 N3 O4","Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)cc13;Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C","InChI=1S/C23H21N3O4/c1-14-7-10-21(15(2)24-14)30-18-8-9-19-20(12-18)26(3)22(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)","","2018-12-28","2019-03-22","3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","2019-03-27"],["B0Y","5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide","C12 H15 N3 O S","CCc1sc(cc1)C(=O)NCc2cnn(C)c2;CCc1ccc(s1)C(=O)NCc2cnn(c2)C","InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)","","2017-07-28","2018-08-03","5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide","2018-08-08"],["TYS","O-SULFO-L-TYROSINE","C9 H11 N O6 S","O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1;N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O","InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1","","1999-07-08","2024-09-27","O-sulfo-L-tyrosine",""],["TYT","TYROSINE DERIVATIVE","C18 H20 N2 O4","O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3;NC(CC1CC(=NC2CC2c3ccccc3)C(=CC1=O)O)C(O)=O;c1ccc(cc1)C2CC2N=C3CC(C(=O)C=C3O)CC(C(=O)O)N","InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+","2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID","2002-06-21","2024-09-27","3-{(5E)-4-hydroxy-2-oxo-5-[(2-phenylcyclopropyl)imino]cyclohex-3-en-1-yl}alanine",""],["B0Z","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","C15 H16 F3 N3 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)C(F)(F)F;c1cc(ccc1c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O)C(F)(F)F","InChI=1S/C15H16F3N3O5/c16-15(17,18)7-3-1-6(2-4-7)13-19-14(21-20-13)12-11(25)10(24)9(23)8(5-22)26-12/h1-4,8-12,22-25H,5H2,(H,19,20,21)/t8-,9-,10+,11-,12-/m1/s1","","2017-09-05","2018-02-23","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","2018-02-28"],["TYU","TETRAHYDROURIDINE","C9 H16 N2 O6","O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2CC[CH](O)NC2=O;C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O","InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1","1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE","2004-11-11","2021-03-13","(4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one",""],["B10","N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide","C33 H39 N5 O5 S","O=S(=O)(Nc1cc(cc(c1OC)NC(=O)Nc3c2c(cccc2)c(cc3)c4ccc(nc4)CN5CCOCC5)C(C)(C)C)C;COc1c(NC(=O)Nc2ccc(c3ccc(CN4CCOCC4)nc3)c5ccccc25)cc(cc1N[S](C)(=O)=O)C(C)(C)C;CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5","InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)","","2009-03-20","2011-06-04","N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide",""],["TYV","alpha-D-Tyvelopyranose","C6 H12 O4","OC1C(OC(O)C(O)C1)C;C[CH]1O[CH](O)[CH](O)C[CH]1O;CC1C(CC(C(O1)O)O)O","InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1","alpha-D-Tyvelose; 3,6-dideoxy-alpha-D-arabino-hexopyranose; 3,6-dideoxy-alpha-D-mannopyranose;\n3,6-dideoxy-alpha-D-altropyranose; 3-deoxy-alpha-D-rhamnopyranose; D-Tyvelose; Tyvelose","1999-07-08","2020-07-17","3,6-dideoxy-alpha-D-arabino-hexopyranose",""],["B11","N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE","C24 H26 F N3 O4 S","O=S(=O)(Nc2cccc(Oc1ccc(F)cc1)c2)N4CCC(NCc3ccccc3O)CC4;Oc1ccccc1CNC2CCN(CC2)[S](=O)(=O)Nc3cccc(Oc4ccc(F)cc4)c3;c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O","InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2","4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE","2005-06-27","2021-03-01","N-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide",""],["TYW","(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol","C9 H13 N O3","Oc1ccc(cc1)CC(N)C(O)O;N[CH](Cc1ccc(O)cc1)C(O)O;c1cc(ccc1CC(C(O)O)N)O","InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1","","2011-09-27","2024-09-27","(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol",""],["B12","COBALAMIN","C62 H89 Co N13 O14 P","[Co++]|1|2|3|N4C5=CC6=N|1C(=C(C)C7=N|2[C](C)([CH]8N|3=C(C(=C4[CH](CCC(N)=O)C5(C)C)C)[C](C)(CCC(=O)NC[CH](C)O[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(C)c(C)cc%10%11)[CH]8CC(N)=O)[C](C)(CC(N)=O)[CH]7CCC(N)=O)[C](C)(CC(N)=O)[CH]6CCC(N)=O;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,72,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q;+2/b42-23-,50-32-,55-33-;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1","","1999-07-08","2012-10-16","",""],["TYX","S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE","C11 H14 N2 O3 S","O=C(Nc1ccccc1)CSCC(C(=O)O)N;N[CH](CSCC(=O)Nc1ccccc1)C(O)=O;c1ccc(cc1)NC(=O)CSCC(C(=O)O)N","InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1","","2007-05-07","2024-09-27","S-[2-oxo-2-(phenylamino)ethyl]-L-cysteine",""],["B13","5-HYDROXYBENZIMIDAZOLYLCOB(III)AMIDE","C60 H88 Co N13 O15 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N3[CH]1C(=C4[CH](CCC(N)=O)C(C)(C)[CH]5C=C6[CH](CCC(N)=O)[C](C)(CC(N)=O)C7=C(C)[CH]8[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]2(C)N8[Co]3(N45)N67)C)O[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)ccc%10%11;CC1=C2C(C(C3=CC4C(C(C5=C(C6C(C(C7N6[Co](N45)(N32)N8C1C(C(C78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC9C(OC(C9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N","InChI=1S/C60H88N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;/h10,14,20,22,27-28,32-35,39-40,49-52,54-55,74-75,83H,11-13,15-19,21,23-26H2,1-9H3,(H2,61,76)(H2,62,77)(H2,63,78)(H2,64,79)(H2,65,80)(H2,66,81)(H,67,82)(H,84,85);/q-4;+4/b36-22-,48-29-,53-30-;/t28-,32-,33-,34-,35+,39-,40+,49-,50-,51-,52+,54-,55+,57-,58+,59+,60+;/m1./s1","","2006-08-24","2011-06-04","",""],["TYY","3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE","C9 H10 N2 O4","O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N;N[CH](CC1=CC(=N)C(=CC1=O)O)C(O)=O;C1=C(C(=O)C=C(C1=N)O)CC(C(=O)O)N","InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1","","1999-08-26","2024-09-27","3-[(3Z)-4-hydroxy-3-imino-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine",""],["B14","1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE","C19 H16 F2 N6 O","N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4;NC1=NC2(CCN(CC2)C(=O)c3ccc(nc3)C#N)Nc4c(F)ccc(F)c14;c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N","InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)","AR-C102222","2005-10-03","2020-06-17","5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile",""],["TYZ","PARA ACETAMIDO BENZOIC ACID","C9 H9 N O3","O=C(Nc1ccc(cc1)C(=O)O)C;CC(=O)Nc1ccc(cc1)C(O)=O;CC(=O)Nc1ccc(cc1)C(=O)O","InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)","","2004-08-07","2024-09-27","4-(acetylamino)benzoic acid",""],["B15","[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-)-KAPPAO]COPPER","C20 H21 Cu N3 O7 S","O=C1O[Cu]OC(=O)CN(C1)Cc3ccc(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)cc3;N[S](=O)(=O)c1ccc(CCNC(=O)c2ccc(CN3CC(=O)O[Cu]OC(=O)C3)cc2)cc1;c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N","InChI=1S/C20H23N3O7S.Cu/c21-31(29,30)17-7-3-14(4-8-17)9-10-22-20(28)16-5-1-15(2-6-16)11-23(12-18(24)25)13-19(26)27;/h1-8H,9-13H2,(H,22,28)(H,24,25)(H,26,27)(H2,21,29,30);/q;+2/p-2","","2006-02-02","2011-06-04","{2,2'-[(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzyl)imino]diacetato(2-)-kappaO}copper",""],["TZ0","1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one","C22 H22 N6 O3","COc1cc(OC)cc(c1)C#Cc3c2c(ncnc2N)n(n3)C4CN(CC4)C([C@H]=C)=O;COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O)C=C)c4ncnc(N)c24;COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N","InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1","","2018-11-06","2024-09-27","1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one","2019-01-16"],["B16","1,6-di-O-phosphono-beta-D-glucopyranose","C6 H14 O12 P2","O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)(O)=O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1","1,6-di-O-phosphono-beta-D-glucose; 1,6-di-O-phosphono-D-glucose; 1,6-di-O-phosphono-glucose","2011-12-06","2020-07-17","1,6-di-O-phosphono-beta-D-glucopyranose",""],["TZ1","N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide","C16 H9 Cl N4 O S3","Clc4ccc3c(Sc1nnc(s1)NC(=O)c2sccc2)ccnc3c4;Clc1ccc2c(Sc3sc(NC(=O)c4sccc4)nn3)ccnc2c1;c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl","InChI=1S/C16H9ClN4OS3/c17-9-3-4-10-11(8-9)18-6-5-12(10)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22)","","2010-07-16","2011-06-04","N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide",""],["B17","{1-[4-(AMINOSULFONYL)PHENYL]-11-[(CARBOXY-KAPPAO)METHYL]-1-OXO-5,8-DIOXA-2,11-DIAZATRIDECAN-13-OATO(2-)-KAPPAO~13~}COPPER","C17 H23 Cu N3 O9 S","O=C1O[Cu]OC(=O)CN(C1)CCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2;c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N","InChI=1S/C17H25N3O9S.Cu/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24;/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27);/q;+2/p-2","","2006-03-27","2023-09-23","{11-[(carboxy-kappaO)methyl]-1-oxo-1-(4-sulfamoylphenyl)-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappaO~13~}copper",""],["B18","(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE","C21 H24 N6 O3 S","O=C(Nc1nc(C(=O)NCCN(C)C)cs1)c4ccc3nc2C(=O)NCC(c2c3c4)C;C[CH]1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc4scc(n4)C(=O)NCCN(C)C;CC1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C","InChI=1S/C21H24N6O3S/c1-11-9-23-20(30)17-16(11)13-8-12(4-5-14(13)24-17)18(28)26-21-25-15(10-31-21)19(29)22-6-7-27(2)3/h4-5,8,10-11,24H,6-7,9H2,1-3H3,(H,22,29)(H,23,30)(H,25,26,28)/t11-/m0/s1","","2007-06-19","2011-06-04","(4R)-N-(4-{[2-(dimethylamino)ethyl]carbamoyl}-1,3-thiazol-2-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydro-1H-beta-carboline-6-carboxamide",""],["TZ2","~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine","C15 H17 N5","[N-]=[N+]=NCCNc1c2CCCCc2nc3ccccc13;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-]","InChI=1S/C15H17N5/c16-20-18-10-9-17-15-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10H2,(H,17,19)","","2015-10-29","2016-01-15","~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine","2016-01-20"],["TZ3","{(1'R)-6'-hydroxy-1'-[4-({[(3S)-1-propylpyrrolidin-3-yl]methyl}sulfanyl)phenyl]-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl}(phenyl)methanone","C32 H36 N2 O2 S","CCCN1CCC(C1)CSc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;CCCN1CC[CH](CSc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;CCCN1CCC(C1)CSc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O","InChI=1S/C32H36N2O2S/c1-2-17-33-18-14-23(21-33)22-37-28-11-8-24(9-12-28)30-29-13-10-27(35)19-26(29)20-32(15-16-32)34(30)31(36)25-6-4-3-5-7-25/h3-13,19,23,30,35H,2,14-18,20-22H2,1H3/t23-,30+/m0/s1","","2022-07-29","2022-11-04","{(1'R)-6'-hydroxy-1'-[4-({[(3S)-1-propylpyrrolidin-3-yl]methyl}sulfanyl)phenyl]-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl}(phenyl)methanone","2022-11-09"],["B19","N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE","C12 H22 N2 O7 S","O=S(=O)(N)NCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C;CC1(C)O[CH]2CO[C]3(CN[S](N)(=O)=O)OC(C)(C)O[CH]3[CH]2O1;CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CNS(=O)(=O)N)C","InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1","","2006-05-19","2011-06-04","N-{[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide (non-preferred name)",""],["TZ4","3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM","C42 H45 N8","n2c1c(cccc1)c(c3c2CCCC3)NCCn4nnc(c4)CCCCCC[n+]8c5cc(N)ccc5c6ccc(N)cc6c8c7ccccc7;Nc1ccc2c3ccc(N)cc3[n+](CCCCCCc4cn(CCNc5c6CCCCc6nc7ccccc57)nn4)c(c8ccccc8)c2c1;c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N","InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1","","2003-09-18","2011-06-04","3,8-diamino-6-phenyl-5-(6-{1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1H-1,2,3-triazol-4-yl}hexyl)phenanthridinium",""],["B1A","~{N}-(4-phenylazanylphenyl)ethanamide","C14 H14 N2 O","CC(=O)Nc1ccc(Nc2ccccc2)cc1;CC(=O)Nc1ccc(cc1)Nc2ccccc2","InChI=1S/C14H14N2O/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,15,17)","","2017-07-28","2018-08-03","~{N}-(4-phenylazanylphenyl)ethanamide","2018-08-08"],["TZ5","3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM","C42 H45 N8","n2c1c(cccc1)c(c3c2CCCC3)NCCn4nncc4CCCCCC[n+]8c5cc(N)ccc5c6ccc(N)cc6c8c7ccccc7;Nc1ccc2c3ccc(N)cc3[n+](CCCCCCc4cnnn4CCNc5c6CCCCc6nc7ccccc57)c(c8ccccc8)c2c1;c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N","InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1","","2003-09-18","2011-06-04","3,8-diamino-6-phenyl-5-(6-{1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1H-1,2,3-triazol-5-yl}hexyl)phenanthridinium",""],["B1B","(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C14 H20 Cl N3 O3","CC(C)C[CH](NC(=O)NCc1ccccc1Cl)C(=O)NO;CC(C)CC(C(=O)NO)NC(=O)NCc1ccccc1Cl","InChI=1S/C14H20ClN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1","","2017-07-26","2018-07-27","(2~{S})-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["TZ6","9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","C17 H18 F2 N2 O4 Ru2","CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5;CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F","InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;;/h1-8H,9H2;2*2H,1H3;;/q3*-2;2*+3","","2023-01-18","2023-06-23","9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane","2023-06-28"],["B1C","N-(tert-butoxycarbonyl)-L-tyrosine","C14 H19 N O5","O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O;CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C(=O)O","InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1","BOC-TYR","2016-11-14","2020-06-17","N-(tert-butoxycarbonyl)-L-tyrosine","2016-11-30"],["TZ7","2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one","C16 H20 N2 O2 S","c3cc2C(=O)NC(CSC1CCC(CC1)O)=Nc2c(C)c3;Cc1cccc2C(=O)NC(=Nc12)CS[CH]3CC[CH](O)CC3;Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O","InChI=1S/C16H20N2O2S/c1-10-3-2-4-13-15(10)17-14(18-16(13)20)9-21-12-7-5-11(19)6-8-12/h2-4,11-12,19H,5-9H2,1H3,(H,17,18,20)/t11-,12-","","2020-04-02","2021-03-19","2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one","2021-03-24"],["B1E","3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide","C27 H25 N5 O2","N#CC(c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc3ccc4N=CN(C(=O)c4c3)C)(C)C;CN1C=Nc2ccc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)cc2C1=O;Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N","InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)","","2012-07-27","2012-11-09","3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide","2012-11-09"],["B1F","PHENYLALANINE BORONIC ACID","C8 H12 B N O2","OB(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)B(O)O;B(C(Cc1ccccc1)N)(O)O","InChI=1/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1","","1999-07-08","2009-01-07","[(1R)-1-amino-2-phenylethyl]boronic acid",""],["TZ8","(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","C17 H30 N4 O6 S2","CCCCCCNC(=S)SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCCCCCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C17H30N4O6S2/c1-2-3-4-5-8-19-17(28)29-10-12(15(25)20-9-14(23)24)21-13(22)7-6-11(18)16(26)27/h11-12H,2-10,18H2,1H3,(H,19,28)(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t11-,12+/m1/s1","","2021-01-14","2022-02-25","(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","2022-03-02"],["B1H","(1S)-1,5-anhydro-1-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol","C14 H16 N4 O7","OC1C(O)C(O)C(OC1CO)c1nc(n[NH]1)c1ccc(cc1)[N+]([O-])=O;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+]([O-])=O;c1cc(ccc1c2nc([nH]n2)C3C(C(C(C(O3)CO)O)O)O)[N+](=O)[O-]","InChI=1S/C14H16N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1","[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl\n]-oxidanyl-oxidanylidene-azanium","2017-09-05","2026-04-04","(1S)-1,5-anhydro-1-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol","2018-02-28"],["TZ9","6,8-bis(fluoranyl)chromene","C9 H6 F2 O","Fc1cc(F)c2OCC=Cc2c1;Fc1cc(F)c2OCC=Cc2c1;c1c(cc(c2c1C=CCO2)F)F","InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2","","2023-08-28","2023-11-24","6,8-difluoro-2H-1-benzopyran","2023-11-29"],["B1I","N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine","C19 H24 F N5 O","Fc1cccc(c1)N1CCCC(C1)Nc1cc(ncn1)N1CCOCC1;Fc1cccc(c1)N2CCC[CH](C2)Nc3cc(ncn3)N4CCOCC4;c1cc(cc(c1)F)N2CCCC(C2)Nc3cc(ncn3)N4CCOCC4","InChI=1S/C19H24FN5O/c20-15-3-1-5-17(11-15)25-6-2-4-16(13-25)23-18-12-19(22-14-21-18)24-7-9-26-10-8-24/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,21,22,23)/t16-/m1/s1","","2021-11-11","2021-12-10","N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine","2021-12-15"],["TZA","TRANS-AMICLENOMYCIN","C10 H16 N2 O2","O=C(O)C(N)CCC1C=CC(N)C=C1;N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O;C1=CC(C=CC1CCC(C(=O)O)N)N","InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1","2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID","2002-09-11","2021-03-13","(2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid",""],["B1J","[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol","C9 H8 Cl N3 O","OCc1cn(nn1)c2ccc(Cl)cc2;c1cc(ccc1n2cc(nn2)CO)Cl","InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2","","2017-07-28","2018-08-03","[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol","2018-08-08"],["TZB","(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID","C7 H10 N2 O2 S","O=C(O)C1N=C(SC1)C(N)=CC;CC=C(N)C1=N[CH](CS1)C(O)=O;CC=C(C1=NC(CS1)C(=O)O)N","InChI=1S/C7H10N2O2S/c1-2-4(8)6-9-5(3-12-6)7(10)11/h2,5H,3,8H2,1H3,(H,10,11)/b4-2-/t5-/m1/s1","","2000-11-02","2011-06-04","(4S)-2-[(1Z)-1-aminoprop-1-en-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid",""],["TZC","1,2,4-TRIAZOLE-CARBOXAMIDINE","C3 H6 N5","n1cnn(C(=[NH2+])N)c1;NC(=[NH2+])n1cncn1;c1ncn(n1)C(=[NH2+])N","InChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)/p+1","","1999-12-16","2011-06-04","amino(1H-1,2,4-triazol-1-yl)methaniminium",""],["B1K","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","C15 H19 N3 O6","COc1ccc(cc1)c2[nH]nc(n2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;COc1ccc(cc1)c2[nH]nc(n2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H19N3O6/c1-23-8-4-2-7(3-5-8)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)24-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1","JLH270","2017-09-05","2021-03-01","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","2018-02-28"],["TZD","2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN\nDIPHOSPHATE","C12 H18 N4 O8 P2 S","O=C1SC(=C(N1Cc2c(nc(nc2)C)N)C)CCOP(=O)(O)OP(=O)(O)O;Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)SC2=O)C)c(N)n1;Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)","THIAMIN THIAZOLONE DIPHOSPHATE","2003-12-17","2020-06-17","2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate",""],["B1L","3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE","C20 H22 N2 O5","O=C(OC2CCCNCC2NC(=O)c1ccc(O)cc1)c3ccc(O)cc3;Oc1ccc(cc1)C(=O)N[CH]2CNCCC[CH]2OC(=O)c3ccc(O)cc3;c1cc(ccc1C(=O)NC2CNCCCC2OC(=O)c3ccc(cc3)O)O","InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1","BALANOL ANALOG 1","2003-12-02","2020-06-17","(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-hydroxybenzoate",""],["TZE","2-(4-METHYL-THIAZOL-5-YL)-ETHANOL","C6 H9 N O S","OCCc1scnc1C;Cc1ncsc1CCO;Cc1c(scn1)CCO","InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3","4-METHYL-5-HYDROXYETHYLTHIAZOLE","1999-07-30","2020-06-17","2-(4-methyl-1,3-thiazol-5-yl)ethanol",""],["B1M","CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE","C61 H86 Co N13 O15 P","NC(=O)CCC1C2=[N+]3C(=CC4=[N+]5C(=C(C)C6=[N+]7[Co]35[N+]=3C(=C2C)C(C)(CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n5cnc8cc(OC)ccc85)C2O)C(CC(N)=O)C=3C7(C)C(C)(CC(N)=O)C6CCC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C1(C)C;COc1ccc2n(cnc2c1)[CH]3O[CH](CO)[CH](O[P](O)(=O)O[CH](C)CNC(=O)CC[C]4(C)[CH](CC(N)=O)C5=[N+]6C4=C(C)C7=[N+]8C(=CC9=[N+]%10C(=C(C)C%11=[N+]([C]5(C)[C](C)(CC(N)=O)[CH]%11CCC(N)=O)[Co]68%10)[C](C)(CC(N)=O)[CH]9CCC(N)=O)C(C)(C)[CH]7CCC(N)=O)[CH]3O;CC1=C2C(C(C3=[N+]2[Co]45[N+]6=C1C(C(C6=CC7=[N+]4C(=C(C8=[N+]5C3(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC9C(OC(C9O)n1cnc2c1ccc(c2)OC)CO","InChI=1S/C61H86N13O15P.Co/c1-29(88-90(84,85)89-52-40(27-75)87-56(51(52)83)74-28-69-38-21-32(86-10)11-15-39(38)74)26-68-48(82)19-20-58(6)36(22-45(65)79)55-61(9)60(8,25-47(67)81)35(14-18-44(64)78)50(73-61)31(3)54-59(7,24-46(66)80)33(12-16-42(62)76)37(70-54)23-41-57(4,5)34(13-17-43(63)77)49(71-41)30(2)53(58)72-55;/h11,15,21,23,28-29,33-36,40,51-52,56,75,83H,12-14,16-20,22,24-27H2,1-10H3,(H2,62,76)(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H,68,82)(H,84,85);/q;+4/b41-23-,53-30-,54-31-;/t29-,33-,34-,35-,36+,40-,51-,52-,56+,58-,59+,60+,61+;/m1./s1","FACTOR IIIM","2005-01-07","2025-03-12","[(2R,3S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-(5-methoxy-1H-1,3-benzimidazol-1-yl)oxolan-3-yl (2R)-1-{3-[(1R,3R,4R,8S,13S,14S,18S,19S)-3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-2(23),5,7(22),10,12(21),15,17(20)-heptaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogen (S)-phosphato]cobalt(4+) (non-preferred name)",""],["TZF","4-(1H-1,2,4-triazol-1-yl)phenol","C8 H7 N3 O","n1cn(nc1)c2ccc(O)cc2;Oc1ccc(cc1)n2cncn2;c1cc(ccc1n2cncn2)O","InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H","","2012-07-23","2012-08-31","4-(1H-1,2,4-triazol-1-yl)phenol","2012-08-31"],["B1N","(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol","C14 H17 N3 O6","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3;c1cc(ccc1c2nc([nH]n2)C3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol","2017-09-05","2020-07-17","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol","2018-02-28"],["TZG","(S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid","C12 H13 Cl N2 O6","O=[N+]([O-])c1cc(c(cc1Cl)CC(C(=O)O)N)CCC(=O)O;N[CH](Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O;c1c(c(cc(c1[N+](=O)[O-])Cl)CC(C(=O)O)N)CCC(=O)O","InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)/t9-/m0/s1","","2011-10-04","2011-10-21","2-(2-carboxyethyl)-5-chloro-4-nitro-L-phenylalanine",""],["B1O","3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","C23 H20 F N3 O4","Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)c(F)c13;Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C","InChI=1S/C23H20FN3O4/c1-13-7-9-18(14(2)25-13)31-19-10-8-17-22(21(19)24)27(3)20(26-17)12-30-16-6-4-5-15(11-16)23(28)29/h4-11H,12H2,1-3H3,(H,28,29)","","2018-12-28","2019-03-22","3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","2019-03-27"],["TZH","5-methyl-2-nitrophenyl cyclobutanecarboxylate","C12 H13 N O4","[O-][N+](=O)c1ccc(C)cc1OC(=O)C1CCC1;Cc1ccc(c(OC(=O)C2CCC2)c1)[N+]([O-])=O;Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)[O-]","InChI=1S/C12H13NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3","","2021-01-14","2026-04-05","5-methyl-2-nitrophenyl cyclobutanecarboxylate","2021-06-09"],["B1P","2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSE","C5 H11 O7 P","O=P(OCC1OC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(OC1O)COP(=O)(O)O)O","InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1/f/h8-9H","ABASIC DEOXYRIBOSE","2006-08-03","2009-09-10","2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose",""],["B1Q","(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one","C20 H28 F N3 O3","COc1cc2CCN3C[CH]([CH](N)C[CH]3c2cc1OC)N4C[CH](CF)CC4=O;COc1cc2c(cc1OC)C3CC(C(CN3CC2)N4CC(CC4=O)CF)N","InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1","","2009-12-02","2011-06-04","(4S)-1-[(2S,3S,5R,11bS)-2-azanyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one",""],["TZI","[(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","C32 H35 F N2 O3","FCCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1;Oc1ccc2[CH](N(C(=O)c3ccccc3)C4(CC4)Cc2c1)c5ccc(OC[CH]6CCN(CCCF)C6)cc5;c1ccc(cc1)C(=O)N2C(c3ccc(cc3CC24CC4)O)c5ccc(cc5)OCC6CCN(C6)CCCF","InChI=1S/C32H35FN2O3/c33-16-4-17-34-18-13-23(21-34)22-38-28-10-7-24(8-11-28)30-29-12-9-27(36)19-26(29)20-32(14-15-32)35(30)31(37)25-5-2-1-3-6-25/h1-3,5-12,19,23,30,36H,4,13-18,20-22H2/t23-,30-/m1/s1","","2022-07-29","2022-11-11","[(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone","2022-11-16"],["TZJ","N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide","C10 H5 Cl2 N3 O2 S3","Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cccc2nsnc12;Clc1sc(Cl)c(c1)[S](=O)(=O)Nc2cccc3nsnc23;c1cc2c(c(c1)NS(=O)(=O)c3cc(sc3Cl)Cl)nsn2","InChI=1S/C10H5Cl2N3O2S3/c11-8-4-7(10(12)18-8)20(16,17)15-6-3-1-2-5-9(6)14-19-13-5/h1-4,15H","","2023-05-09","2023-06-09","N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide","2023-06-14"],["B1R","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium","C20 H16 N2 O2 Ru S","O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57;[Ru]|1|2|3|4|5|6|7|8(|C9C|1=C|2C|3=C|49)|C%10=C|5C|6(C|7=C|8%10)C(=O)CCCC[CH]%11SC[CH]%12NC(=O)N[CH]%11%12;C1C2C(C(S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2","InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14;1-2-4-5-3-1;/h11,13-14H,3-4,7-9H2,(H2,16,17,19);1H;/t11-,13-,14-;;/m0../s1","biotinylruthenocene","2012-12-06","2021-03-01","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium","2013-08-14"],["TZK","4-(4-methylphenyl)sulfonylmorpholine","C11 H15 N O3 S","Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2;Cc1ccc(cc1)S(=O)(=O)N2CCOCC2","InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3","","2021-01-14","2024-09-27","4-(4-methylphenyl)sulfonylmorpholine","2021-09-15"],["B1S","(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H31 N3 O8 S","C(c1ccccc1)OC(=O)NC(C(=O)NC(C(S(=O)(=O)O)O)CC2CCNC2=O)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20+/m0/s1","","2017-07-31","2024-09-27","(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["TZL","2-(SEC-BUTYL)THIAZOLE","C7 H11 N S","n1ccsc1C(C)CC;CC[CH](C)c1sccn1;CCC(C)c1nccs1","InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m1/s1","","1999-07-08","2011-06-04","2-[(1R)-1-methylpropyl]-1,3-thiazole",""],["B1T","2,2'-sulfanediylbis(4,6-dichlorophenol)","C12 H6 Cl4 O2 S","Clc2cc(Cl)cc(Sc1cc(Cl)cc(Cl)c1O)c2O;Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O;c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl","InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H","","2008-11-04","2011-06-04","2,2'-sulfanediylbis(4,6-dichlorophenol)",""],["B1U","5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine","C17 H17 N7 O9 S","[O-][N+](c1c(cccc1)C(NS(OCC2OC(C(C2O)O)n3cnc4c3ncnc4N)(=O)=O)=O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4ccccc4[N+]([O-])=O)[CH](O)[CH]3O;c1ccc(c(c1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-]","InChI=1S/C17H17N7O9S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(33-17)5-32-34(30,31)22-16(27)8-3-1-2-4-9(8)24(28)29/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1","","2019-01-08","2019-04-12","5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine","2019-04-17"],["TZM","3-(1H-1,2,4-triazol-1-ylmethyl)aniline","C9 H10 N4","n1cn(nc1)Cc2cc(N)ccc2;Nc1cccc(Cn2cncn2)c1;c1cc(cc(c1)N)Cn2cncn2","InChI=1S/C9H10N4/c10-9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2","","2012-07-23","2012-08-31","3-(1H-1,2,4-triazol-1-ylmethyl)aniline","2012-08-31"],["B1V","2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL","C12 H14 F3 N3 O2 S","O=C(N1CCCCC1)CSc2nc(cc(O)n2)C(F)(F)F;Oc1cc(nc(SCC(=O)N2CCCCC2)n1)C(F)(F)F;c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F","InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)","2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)THIO]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4(1H)-ONE","2004-06-22","2020-06-17","2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol",""],["TZN","[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone","C19 H25 N5 O4","O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)C4OCCC4;COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[CH]4CCCO4;COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4CCCO4","InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/t14-/m1/s1","Terazosin","2014-01-10","2020-06-17","[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone","2014-10-29"],["TZO","1,3-THIAZOLE-4-CARBOXYLIC ACID","C4 H3 N O2 S","O=C(O)c1ncsc1;OC(=O)c1cscn1;c1c(ncs1)C(=O)O","InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)","","2000-11-02","2011-09-28","1,3-thiazole-4-carboxylic acid",""],["B1W","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol","C14 H18 N4 O5","Nc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;c1cc(ccc1c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O)N","InChI=1S/C14H18N4O5/c15-7-3-1-6(2-4-7)13-16-14(18-17-13)12-11(22)10(21)9(20)8(5-19)23-12/h1-4,8-12,19-22H,5,15H2,(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1","","2017-09-05","2018-02-23","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol","2018-02-28"],["TZP","4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE","C6 H10 N O4 P S","O=P(OCCc1scnc1C)(O)O;Cc1ncsc1CCO[P](O)(O)=O;Cc1c(scn1)CCOP(=O)(O)O","InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)","","2000-11-15","2011-06-04","2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate",""],["B1X","5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine","C18 H17 N7 O7 S","c21n(cnc1c(ncn2)N)C4OC(COS(NC(c3cc(C#N)ccc3)=O)(=O)=O)C(C4O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(c4)C#N)[CH](O)[CH]3O;c1cc(cc(c1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)C#N","InChI=1S/C18H17N7O7S/c19-5-9-2-1-3-10(4-9)17(28)24-33(29,30)31-6-11-13(26)14(27)18(32-11)25-8-23-12-15(20)21-7-22-16(12)25/h1-4,7-8,11,13-14,18,26-27H,6H2,(H,24,28)(H2,20,21,22)/t11-,13-,14-,18-/m1/s1","","2019-01-08","2019-04-12","5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine","2019-04-17"],["TZQ","5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid","C12 H8 Cl F O4","OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1;c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F","InChI=1S/C12H8ClFO4/c13-9-5-7(1-3-10(9)14)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)","","2021-01-15","2022-02-25","5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid","2022-03-02"],["B1Y","(1R,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C7 H14 N2 O5 S","NC(C(S(=O)(=O)O)O)CC1CCNC1=O;N[CH](C[CH]1CCNC1=O)[CH](O)[S](O)(=O)=O;C1CNC(=O)C1CC(C(O)S(=O)(=O)O)N","InChI=1S/C7H14N2O5S/c8-5(7(11)15(12,13)14)3-4-1-2-9-6(4)10/h4-5,7,11H,1-3,8H2,(H,9,10)(H,12,13,14)/t4-,5-,7+/m0/s1","","2017-07-31","2018-03-29","(1R,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["B1Z","Adenosylcobalamin","C72 H101 Co N18 O17 P","C[CH]1CNC(=O)CC[C]2(C)[CH](CC(N)=O)[CH]3N|4=C2C(=C5N|6=C(C=C7N|8=C(C(=C9[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]3(C)[N]9[Co]|4|6|8(C[CH]%10O[CH]([CH](O)[CH]%10O)n%11cnc%12c(N)ncnc%11%12)|n%13cn([CH]%14O[CH](CO)[CH](O[P](O)(=O)O1)[CH]%14O)c%15cc(C)c(C)cc%13%15)C)[C](C)(CC(N)=O)[CH]7CCC(N)=O)C(C)(C)[CH]5CCC(N)=O)C;Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O","InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1","Cobamamide","2012-09-13","2020-06-17","","2012-10-12"],["TZR","1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one","C13 H17 N O2","OCC1CN(CC1c1ccccc1)C(=O)C;CC(=O)N1C[CH](CO)[CH](C1)c2ccccc2;CC(=O)N1CC(C(C1)c2ccccc2)CO","InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1","","2023-08-28","2023-11-24","1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one","2023-11-29"],["B2","(2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE","C12 H10 F N3 S","Fc3c1c(NC(N=C1N)c2sccc2)ccc3;NC1=N[CH](Nc2cccc(F)c12)c3sccc3;c1cc2c(c(c1)F)C(=NC(N2)c3cccs3)N","InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)/t12-/m1/s1","","2006-01-25","2011-06-04","(2R)-5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine",""],["TZS","N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide","C16 H25 N5 O4 S","c21c(ncnc1CC(OC)=C(C2)OC)N3CCC(CC3)CNS(=O)(N)=O;COC1=C(Cc2c(C1)ncnc2N3CCC(CC3)CN[S](N)(=O)=O)OC;COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC","InChI=1S/C16H25N5O4S/c1-24-14-7-12-13(8-15(14)25-2)18-10-19-16(12)21-5-3-11(4-6-21)9-20-26(17,22)23/h10-11,20H,3-9H2,1-2H3,(H2,17,22,23)","","2020-04-03","2020-09-04","N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide","2020-09-09"],["TZT","SOBLIDOTIN","C39 H67 N5 O6","O=C(N2C(C(OC)C(C(=O)NCCc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(N(C)C)C(C)C)C(C)C)C)C(C)CC;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)NCCc2ccccc2)OC)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30+,31+,33+,34+,35+,36-/m1/s1","TZT-1027","2008-08-12","2020-06-17","N,N-dimethyl-L-valyl-N-{(1S,2S)-2-methoxy-4-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}pyrrolidin-1-yl]-1-[(1R)-1-methylpropyl]-4-oxobutyl}-N-methyl-L-valinamide",""],["B20","1,2-dihydro-1,2-azaborinine","C4 H6 B N","B1C=CC=CN1;B1NC=CC=C1;B1C=CC=CN1","InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-6H","1,2-DIHYDRO-1,2-AZABORINE","2009-05-21","2021-03-13","1,2-dihydro-1,2-azaborinine",""],["TZU","(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one","C17 H16 O5","O=C1OC2C(Cc3ccccc32)C1COC1C=C(C)C(=O)O1;CC1=C[CH](OC[CH]2[CH]3Cc4ccccc4[CH]3OC2=O)OC1=O;CC1=CC(OC1=O)OCC2C3Cc4ccccc4C3OC2=O","InChI=1S/C17H16O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,12-15H,7-8H2,1H3/t12-,13+,14-,15-/m1/s1","GR24","2022-07-29","2023-06-09","(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one","2023-06-14"],["B21","5-(2-METHOXYPHENYL)-2-FUROIC ACID","C12 H10 O4","O=C(O)c2oc(c1c(OC)cccc1)cc2;COc1ccccc1c2oc(cc2)C(O)=O;COc1ccccc1c2ccc(o2)C(=O)O","InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)","","2007-06-26","2011-06-04","5-(2-methoxyphenyl)furan-2-carboxylic acid",""],["TZV","N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide","C16 H15 N3 O4 S","c1cc(NS(=O)(=O)N)ccc1Oc3c2ccc(OC)cc2ncc3;COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1;COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N","InChI=1S/C16H15N3O4S/c1-22-13-6-7-14-15(10-13)18-9-8-16(14)23-12-4-2-11(3-5-12)19-24(17,20)21/h2-10,19H,1H3,(H2,17,20,21)","","2020-04-03","2020-09-04","N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide","2020-09-09"],["B22","[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-2-OXOETHYL]IMINO}DIACETATO(2-)-KAPPAO]COPPER","C21 H22 Cu N4 O8 S","O=C1O[Cu]OC(=O)CN(C1)CC(=O)Nc3cc(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)ccc3;N[S](=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN3CC(=O)O[Cu]OC(=O)C3)c2)cc1;c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C21H24N4O8S.Cu/c22-34(32,33)17-6-4-14(5-7-17)8-9-23-21(31)15-2-1-3-16(10-15)24-18(26)11-25(12-19(27)28)13-20(29)30;/h1-7,10H,8-9,11-13H2,(H,23,31)(H,24,26)(H,27,28)(H,29,30)(H2,22,32,33);/q;+2/p-2","","2006-03-27","2011-06-04","[2,2'-({2-oxo-2-[(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)amino]ethyl}imino)diacetato(2-)-kappaO]copper",""],["TZW","3-(4-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde","C12 H14 N2 O4","[O-][N+](=O)c1ccc(C=O)cc1N1CCC(O)CC1;OC1CCN(CC1)c2cc(C=O)ccc2[N+]([O-])=O;c1cc(c(cc1C=O)N2CCC(CC2)O)[N+](=O)[O-]","InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2","","2021-01-15","2026-04-05","3-(4-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde","2021-06-09"],["B23","5-(2-NITROPHENYL)-2-FUROIC ACID","C11 H7 N O5","O=C(O)c2oc(c1c([N+]([O-])=O)cccc1)cc2;OC(=O)c1oc(cc1)c2ccccc2[N+]([O-])=O;c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-]","InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)12(15)16/h1-6H,(H,13,14)","","2007-06-26","2011-06-04","5-(2-nitrophenyl)furan-2-carboxylic acid",""],["B24","1-ethyl-1,2-dihydro-1,2-azaborinine","C6 H10 B N","B1C=CC=CN1CC;CCN1BC=CC=C1;B1C=CC=CN1CC","InChI=1S/C6H10BN/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3","1-ETHYL-2-HYDRO-1,2-AZABORINE","2009-05-21","2021-03-13","1-ethyl-1,2-dihydro-1,2-azaborinine",""],["TZX","9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine","C26 H29 N3 O4","COc1cc(cc(OC)c1OC)c2cncc3c2CCOc4cc(ccc34)N5CCNCC5;COc1cc(cc(c1OC)OC)c2cncc-3c2CCOc4c3ccc(c4)N5CCNCC5","InChI=1S/C26H29N3O4/c1-30-24-12-17(13-25(31-2)26(24)32-3)21-15-28-16-22-19(21)6-11-33-23-14-18(4-5-20(22)23)29-9-7-27-8-10-29/h4-5,12-16,27H,6-11H2,1-3H3","","2023-01-18","2023-01-27","9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine","2023-02-01"],["TZY","6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE","C18 H15 F N4 O","Fc4ccc(c1ncoc1c3ccc2nnc(n2c3)C(C)C)cc4;CC(C)c1nnc2ccc(cn12)c3ocnc3c4ccc(F)cc4;CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F","InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3","TRIAZOLOPYRIDINE","2005-06-16","2020-06-17","6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridine",""],["B25","5-nitro-1H-indole-2-carboximidamide","C9 H8 N4 O2","[O-][N+](=O)c1cc2c(cc1)nc(c2)C(=[N@H])N;NC(=N)c1[nH]c2ccc(cc2c1)[N+]([O-])=O;c1cc2c(cc1[N+](=O)[O-])cc([nH]2)C(=N)N","InChI=1S/C9H8N4O2/c10-9(11)8-4-5-3-6(13(14)15)1-2-7(5)12-8/h1-4,12H,(H3,10,11)","5-nitro-1H-indole-2-amidine","2010-05-10","2020-06-17","5-nitro-1H-indole-2-carboximidamide",""],["B26","N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide","C42 H45 Br F2 I N6 O11 P","Brc4ccc(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CNC(=O)Cc1ccc(O)c(OC)c1)CCCNC(=O)c2cccc(I)c2)Cc3ccc(cc3)C(F)(F)P(=O)(O)O)cc4C;COc1cc(CC(=O)NC[CH](NC(=O)[CH](CCCNC(=O)c2cccc(I)c2)NC(=O)[CH](Cc3ccc(cc3)C(F)(F)[P](O)(O)=O)NC(=O)c4ccc(Br)c(C)c4)C(N)=O)ccc1O;Cc1cc(ccc1Br)C(=O)NC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)NC(CCCNC(=O)c3cccc(c3)I)C(=O)NC(CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N","InChI=1S/C42H45BrF2IN6O11P/c1-23-17-27(11-14-30(23)43)39(57)51-32(18-24-8-12-28(13-9-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)21-26)40(58)52-33(37(47)55)22-49-36(54)20-25-10-15-34(53)35(19-25)63-2/h3,5-6,8-15,17,19,21,31-33,53H,4,7,16,18,20,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)/t31-,32-,33+/m0/s1","","2012-08-10","2012-10-26","N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide","2012-10-26"],["TZZ","TRIMETHYL PHOSPHATE","C3 H9 O4 P","O=P(OC)(OC)OC;CO[P](=O)(OC)OC;COP(=O)(OC)OC","InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3","","2005-09-13","2011-06-04","trimethyl phosphate",""],["U00","3-(4-{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepan-1-yl)propyl 3,4-dimethoxy-5-[(4-nitrophenyl)methoxy]benzoate","C37 H47 N3 O12","[O-][N+](=O)c1ccc(cc1)COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(OC)c(OC)c1;COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OCc4ccc(cc4)[N+]([O-])=O)c3)CC2;COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OCc4ccc(cc4)[N+](=O)[O-])OC)OC","InChI=1S/C37H47N3O12/c1-45-30-21-27(22-31(46-2)34(30)48-4)36(41)50-19-7-15-38-13-6-14-39(18-17-38)16-8-20-51-37(42)28-23-32(47-3)35(49-5)33(24-28)52-25-26-9-11-29(12-10-26)40(43)44/h9-12,21-24H,6-8,13-20,25H2,1-5H3","","2023-08-28","2026-04-05","3-(4-{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepan-1-yl)propyl 3,4-dimethoxy-5-[(4-nitrophenyl)methoxy]benzoate","2024-08-28"],["B27","(2R,3S) 3-amino-4-mercapto-2-butanol","C4 H11 N O S","OC(C)C(N)CS;C[CH](O)[CH](N)CS;CC(C(CS)N)O","InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1","(2R,3S)-3-amino-4-sulfanylbutan-2-ol","2009-05-20","2024-09-27","(2R,3S)-3-amino-4-sulfanylbutan-2-ol",""],["U01","3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE","C19 H17 Br O3","Brc1ccc(cc1)C(C2=C(O)c3c(OC2=O)cccc3)C(C)C;CC(C)[CH](c1ccc(Br)cc1)C2=C(O)c3ccccc3OC2=O;CC(C)C(c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O","InChI=1S/C19H17BrO3/c1-11(2)16(12-7-9-13(20)10-8-12)17-18(21)14-5-3-4-6-15(14)23-19(17)22/h3-11,16,21H,1-2H3/t16-/m0/s1","PARA-BROMOPHENYL ANALOGUE OF PHEN-PROCOUMON 3-(ALPHA-ETHYLBENZYL)-4-HYDROXYCOUMARIN","1999-07-08","2020-06-17","3-[(1S)-1-(4-bromophenyl)-2-methylpropyl]-4-hydroxy-2H-chromen-2-one",""],["B28","(1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID","C20 H20 O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccc(c1)c3ccc(c2ccccc2)cc3;OC(Cc1cccc(c1)c2ccc(cc2)c3ccccc3)([P](O)(O)=O)[P](O)(O)=O;c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)","[1-HYDROXY-2-(1,1':4',1''-TERPHENYL-3-YL)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","2007-01-30","2021-03-13","[1-hydroxy-2-(1,1':4',1''-terphenyl-3-yl)ethane-1,1-diyl]bis(phosphonic acid)",""],["B29","[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID","C20 H18 O8 P2","O=P(O)(O)C(O)(P(=O)(O)O)Cc4cccc(c2cccc1c3c(oc12)cccc3)c4;OC(Cc1cccc(c1)c2cccc3c2oc4ccccc34)([P](O)(O)=O)[P](O)(O)=O;c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)","[2-(3-DIBENZO[B,D]FURAN-4-YLPHENYL)-1-HYDROXYETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","2007-01-30","2021-03-13","[2-(3-dibenzo[b,d]furan-4-ylphenyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)",""],["U02","[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-METHYL}-PHENYLCARBAMOYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER","C33 H38 N2 O6","O=C1OC(=CC(O)=C1C(c2cccc(NC(=O)CCNC(=O)OC(C)(C)C)c2)C3C=C3)C(Cc4ccccc4)CC;CC[CH](Cc1ccccc1)C2=CC(=C([CH](C3C=C3)c4cccc(NC(=O)CCNC(=O)OC(C)(C)C)c4)C(=O)O2)O;CCC(Cc1ccccc1)C2=CC(=C(C(=O)O2)C(c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O","InChI=1S/C33H38N2O6/c1-5-22(18-21-10-7-6-8-11-21)27-20-26(36)30(31(38)40-27)29(23-14-15-23)24-12-9-13-25(19-24)35-28(37)16-17-34-32(39)41-33(2,3)4/h6-15,19-20,22-23,29,36H,5,16-18H2,1-4H3,(H,34,39)(H,35,37)/t22-,29+/m1/s1","","1999-07-08","2011-06-04","tert-butyl [3-({3-[(S)-{6-[(1R)-1-benzylpropyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}(cycloprop-2-en-1-yl)methyl]phenyl}amino)-3-oxopropyl]carbamate",""],["U03","4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE","C19 H18 O4","O=C2Oc1cc(OC)ccc1C(O)=C2C(c3ccccc3)CC;CC[CH](c1ccccc1)C2=C(O)c3ccc(OC)cc3OC2=O;CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O","InChI=1S/C19H18O4/c1-3-14(12-7-5-4-6-8-12)17-18(20)15-10-9-13(22-2)11-16(15)23-19(17)21/h4-11,14,20H,3H2,1-2H3/t14-/m0/s1","","1999-07-08","2011-06-04","4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]-2H-chromen-2-one",""],["B2A","ALANINE BORONIC ACID","C2 H8 B N O2","OB(O)C(N)C;C[CH](N)B(O)O;B(C(C)N)(O)O","InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-aminoethyl]boronic acid",""],["U04","({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER","C25 H28 N2 O6","O=C(OC(C)(C)C)NCC(=O)Nc1cccc(c1)C(C2=C(O)c3c(OC2=O)cccc3)CC;CC[CH](c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1)C2=C(O)c3ccccc3OC2=O;CCC(c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O","InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1","U097410","1999-07-08","2021-03-01","tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate",""],["B2B","(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade\nca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid","C34 H54 O12","O=C(OC(C)C(C)C(O)CC(=O)C(C)C(O)CCC(C)CC(C)CCC=C(C=CC(=O)O)CC)CC(O)C(=C(C(=O)O)C)C(=O)O;CCC(=CCC[CH](C)C[CH](C)CC[CH](O)[CH](C)C(=O)C[CH](O)[CH](C)[CH](C)OC(=O)C[CH](O)C(C(O)=O)=C(C)C(O)=O)C=CC(O)=O;CCC(=CCCC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)O)O)C=CC(=O)O","InChI=1S/C34H54O12/c1-8-25(13-15-30(39)40)11-9-10-19(2)16-20(3)12-14-26(35)22(5)28(37)17-27(36)21(4)24(7)46-31(41)18-29(38)32(34(44)45)23(6)33(42)43/h11,13,15,19-22,24,26-27,29,35-36,38H,8-10,12,14,16-18H2,1-7H3,(H,39,40)(H,42,43)(H,44,45)/b15-13+,25-11+,32-23-/t19-,20-,21+,22-,24+,26-,27+,29+/m0/s1","tautomycetin analogue TTNB1B","2010-04-26","2020-06-17","(2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13S,16E,18E)-19-carboxy-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6-oxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid",""],["U05","6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE","C15 H14 N4 O3","[O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C;CCN1c2cc(ccc2N(C)C(=O)c3cccnc13)[N+]([O-])=O;CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]","InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3","1051U91","1999-07-08","2021-03-01","11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one",""],["B2C","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H16 Br N3 O5","C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(Br)c2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(c(c2)Br)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1","","2019-04-02","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2020-04-08"],["U06","4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid","C23 H22 N4 O3","CCc1nc(N)nc(N)c1C#CCc2cc(ccc2OC)c3ccc(cc3)C(O)=O;CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O","InChI=1S/C23H22N4O3/c1-3-19-18(21(24)27-23(25)26-19)6-4-5-17-13-16(11-12-20(17)30-2)14-7-9-15(10-8-14)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)","3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid; UCP1106","2016-01-07","2020-06-17","4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid","2016-08-23"],["B2D","7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine","C21 H17 N7 O","n1nc4ccc(nn4c1CNc2c3ncc(OC)cc3ncc2)c5ccccc5;COc1cnc2c(NCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1;COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1","InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)","","2009-07-09","2011-06-04","7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine",""],["B2E","(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine","C9 H11 N3 O6","CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O;CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O","InChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)","","2017-09-06","2017-10-13","2-[[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid","2017-10-18"],["U07","(2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one","C18 H14 O4","C2(O)=C(c1ccccc1)C(C(=C(C2O)c3ccccc3)O)=O;O[CH]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O;c1ccc(cc1)C2=C(C(=O)C(=C(C2O)O)c3ccccc3)O","InChI=1S/C18H14O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,15,19-21H/t15-/m0/s1","","2020-04-06","2021-04-02","(2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one","2021-04-07"],["U08","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile","C12 H13 N5 O4","Nc1ncnn2c1ccc2[C]3(O[CH](CO)[CH](O)[CH]3O)C#N;c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)CO)O)O)C#N","InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1","Remdesivir, reacted form","2021-01-15","2022-07-20","(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile","2021-01-27"],["B2F","PHENYLALANINE BORONIC ACID","C8 H12 B N O2","OB(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)B(O)O;B(C(Cc1ccccc1)N)(O)O","InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-amino-2-phenylethyl]boronic acid",""],["B2G","GALACTOBIOSE","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11-,12+/m1/s1","BETA-1,4-GALACTOBIOSIDE","2003-10-23","2020-07-17","4-O-beta-D-galactopyranosyl-beta-D-galactopyranose",""],["U0A","11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide","C22 H19 N3 O4 S2","c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O;N[S](=O)(=O)c1ccc(CCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)cc1;c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N","InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29)","","2020-04-06","2020-05-29","11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide","2020-06-03"],["U0C","6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine","C27 H32 N4 O3","COc1cc(cc(OC)c1OC)c2cncc3c2CN(C)Cc4cc(ccc34)N5CCNCC5;CN1Cc2cc(ccc2-c3cncc(c3C1)c4cc(c(c(c4)OC)OC)OC)N5CCNCC5","InChI=1S/C27H32N4O3/c1-30-16-19-11-20(31-9-7-28-8-10-31)5-6-21(19)23-15-29-14-22(24(23)17-30)18-12-25(32-2)27(34-4)26(13-18)33-3/h5-6,11-15,28H,7-10,16-17H2,1-4H3","","2023-01-18","2023-02-03","6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine","2023-02-08"],["B2H","Chromophore (Thr, Trp, Gly)","C17 H20 N4 O4","C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O;CC(C(c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O","InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1","","2017-09-06","2024-09-27","2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid","2017-11-29"],["U0D","4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine","C31 H36 F3 N7","n2(cnc(c1ccc(cc1)C(F)(F)F)c2c3ccnc(n3)Nc4cc(cc(c4)C)C)C5CCN(CC5)CCN(C)C;CN(C)CCN1CCC(CC1)n2cnc(c3ccc(cc3)C(F)(F)F)c2c4ccnc(Nc5cc(C)cc(C)c5)n4;Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C","InChI=1S/C31H36F3N7/c1-21-17-22(2)19-25(18-21)37-30-35-12-9-27(38-30)29-28(23-5-7-24(8-6-23)31(32,33)34)36-20-41(29)26-10-13-40(14-11-26)16-15-39(3)4/h5-9,12,17-20,26H,10-11,13-16H2,1-4H3,(H,35,37,38)","","2020-04-07","2020-10-02","4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine","2020-10-07"],["B2I","ISOLEUCINE BORONIC ACID","C5 H14 B N O2","OB(O)C(N)C(C)CC;CC[CH](C)[CH](N)B(O)O;B(C(C(C)CC)N)(O)O","InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1","","1999-07-08","2024-09-27","[(1R,2R)-1-amino-2-methylbutyl]boronic acid",""],["U0E","N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE","C28 H52 N8 O6","O=C(N)C(NC(=O)C(NC(=O)C(C(C)C)CC(O)C(NC(=O)C)CC1CCCCC1)CCC(=O)N)CCCNC(=[N@H])N;CC(C)[CH](C[CH](O)[CH](CC1CCCCC1)NC(C)=O)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CCCNC(N)=N)C(N)=O;CC(C)C(CC(C(CC1CCCCC1)NC(=O)C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N","InChI=1S/C28H52N8O6/c1-16(2)19(15-23(38)22(34-17(3)37)14-18-8-5-4-6-9-18)26(41)36-21(11-12-24(29)39)27(42)35-20(25(30)40)10-7-13-33-28(31)32/h16,18-23,38H,4-15H2,1-3H3,(H2,29,39)(H2,30,40)(H,34,37)(H,35,42)(H,36,41)(H4,31,32,33)/t19-,20-,21-,22-,23-/m0/s1","","1999-07-08","2011-06-04","N~2~-[(2S,4S,5S)-5-(acetylamino)-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoyl]-L-glutaminyl-L-argininamide",""],["B2J","4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine","C6 H10 N4 S","S(c1nc(nc(n1)N)C)CC;CCSc1nc(C)nc(N)n1;CCSc1nc(nc(n1)N)C","InChI=1S/C6H10N4S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)","","2011-08-02","2011-09-09","4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine",""],["U0G","4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile","C18 H20 N2 O3","COc2c(cc(c(CCNCc1c(cccc1)O)c2)OC)C#N;COc1cc(C#N)c(OC)cc1CCNCc2ccccc2O;COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O","InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3","","2020-04-08","2020-09-18","4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile","2020-09-23"],["B2K","4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine","C12 H13 N3 O2 S","O=S(=O)(c1nc(nc(c1)C)N)c2ccc(cc2)C;Cc1ccc(cc1)[S](=O)(=O)c2cc(C)nc(N)n2;Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C","InChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)","","2011-08-02","2011-09-09","4-methyl-6-[(4-methylphenyl)sulfonyl]pyrimidin-2-amine",""],["U0H","~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide","C20 H25 N3 O4","COc1cccc(C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C)c1C;Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C","InChI=1S/C20H25N3O4/c1-13-14(9-7-11-16(13)26-5)17(24)22-23(20(2,3)4)19(25)15-10-8-12-21-18(15)27-6/h7-12H,1-6H3,(H,22,24)","","2021-01-15","2021-04-02","~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide","2021-04-07"],["B2L","4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine","C17 H15 N3 O","n1c(cc(nc1N)c2ccc4c3c2cccc3COC4)C;Cc1cc(nc(N)n1)c2ccc3COCc4cccc2c34;Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3","InChI=1S/C17H15N3O/c1-10-7-15(20-17(18)19-10)13-6-5-12-9-21-8-11-3-2-4-14(13)16(11)12/h2-7H,8-9H2,1H3,(H2,18,19,20)","","2011-08-02","2011-09-09","4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine",""],["U0I","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide","C22 H20 F3 N3 O5","OC1=C(N=C(Cc2ccccc2C(F)(F)F)NC1=O)C(=O)NCCc1ccc(O)c(OC)c1;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)Cc3ccccc3C(F)(F)F)ccc1O;COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)Cc3ccccc3C(F)(F)F)O","InChI=1S/C22H20F3N3O5/c1-33-16-10-12(6-7-15(16)29)8-9-26-20(31)18-19(30)21(32)28-17(27-18)11-13-4-2-3-5-14(13)22(23,24)25/h2-7,10,29-30H,8-9,11H2,1H3,(H,26,31)(H,27,28,32)","","2022-08-01","2022-09-09","5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide","2022-09-14"],["B2M","6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide","C18 H12 Br Cl2 N3 O2","Clc1cc(c(O)c(Cl)c1)C=N/NC(=O)c2c3cc(Br)ccc3nc(c2)C;Cc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c3cc(Br)ccc3n1;Cc1cc(c2cc(ccc2n1)Br)C(=O)NN=Cc3cc(cc(c3O)Cl)Cl","InChI=1S/C18H12BrCl2N3O2/c1-9-4-14(13-6-11(19)2-3-16(13)23-9)18(26)24-22-8-10-5-12(20)7-15(21)17(10)25/h2-8,25H,1H3,(H,24,26)/b22-8-","","2008-06-20","2011-06-04","6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide",""],["U0J","{(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)ruthenium","C19 H16 Cl2 N2 Ru","C4=CN(Cc2c1ccccc1cc3ccccc23)C(N4C)[Ru](Cl)Cl;CN1CN(Cc2c3ccccc3cc4ccccc24)C=C1.Cl[Ru]Cl;CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4","InChI=1S/C19H17N2.2ClH.Ru/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19;;;/h2-12,14H,13H2,1H3;2*1H;/q;;;+2/p-2","","2020-04-08","2021-10-01","{(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)ruthenium","2021-10-06"],["B2N","(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid","C5 H10 N2 O3","O=C(N)CC(CN)C(=O)O;NC[CH](CC(N)=O)C(O)=O;C(C(CN)C(=O)O)C(=O)N","InChI=1S/C5H10N2O3/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1","","2016-01-22","2024-09-27","(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid","2016-02-24"],["U0K","4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C21 H27 N9 O","C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N;Cc1c(cnn1C2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCCC5C)C#N)N","InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14-/m1/s1","4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{R})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-15","2021-07-02","4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{R})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["B2O","4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid","C26 H30 N O3","OC(=O)CCC[NH+]1CCc2cccc(OCCc3cccc4ccccc34)c2CC1;c1ccc2c(c1)cccc2CCOc3cccc4c3CC[NH+](CC4)CCCC(=O)O","InChI=1S/C26H29NO3/c28-26(29)12-5-16-27-17-13-21-9-4-11-25(24(21)14-18-27)30-19-15-22-8-3-7-20-6-1-2-10-23(20)22/h1-4,6-11H,5,12-19H2,(H,28,29)/p+1","","2021-12-07","2022-08-22","4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1~{H}-3-benzazepin-3-ium-3-yl]butanoic acid","2022-08-10"],["U0L","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide","C21 H19 Cl F N3 O2 S","CC(C)(Oc1ccc(Cl)c(F)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(c(c3)F)Cl","InChI=1S/C21H19ClFN3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)","","2023-01-18","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide","2023-08-02"],["B2P","2-bromo-2-methylpropanoic acid","C4 H7 Br O2","BrC(C(=O)O)(C)C;CC(C)(Br)C(O)=O;CC(C)(C(=O)O)Br","InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)","","2013-10-16","2013-11-22","2-bromo-2-methylpropanoic acid","2013-11-27"],["U0M","5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine","C9 H12 F N3 S","C=1CCN(CC=1F)Cc2nnc(C)s2;Cc1sc(CN2CCC=C(F)C2)nn1;Cc1nnc(s1)CN2CCC=C(C2)F","InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3","","2020-04-08","2020-04-10","5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine","2020-04-15"],["B2Q","(2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine","C19 H30 N2 O2","CCCC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1N;CCCCC1CN2CCc3cc(c(cc3C2CC1N)OC)OC","InChI=1S/C19H30N2O2/c1-4-5-6-14-12-21-8-7-13-9-18(22-2)19(23-3)10-15(13)17(21)11-16(14)20/h9-10,14,16-17H,4-8,11-12,20H2,1-3H3/t14-,16+,17-/m1/s1","","2009-12-02","2011-06-04","(2S,3R,5S,11bR)-3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine",""],["B2R","3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate","C26 H29 N7 O4","Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1;Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C","InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)","Naphthyridine Carbamate Dimer","2019-01-08","2020-06-17","3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate","2019-12-25"],["U0N","4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C18 H23 N9","C[CH]1CCCN1c2n(C)c3nc(Nc4cn(C)nc4C)nc(N)c3c2C#N;Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCCC4C)C#N)N","InChI=1S/C18H23N9/c1-10-6-5-7-27(10)17-12(8-19)14-15(20)22-18(23-16(14)26(17)4)21-13-9-25(3)24-11(13)2/h9-10H,5-7H2,1-4H3,(H3,20,21,22,23)/t10-/m1/s1","4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-15","2021-07-02","4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["B2S","(3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one","C15 H20 O6","O=C4C(=CC3OC2C1(OC1)C(CC2O)(C3(CO)C4O)C)C;CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]34CO4)[C]2(CO)[CH](O)C1=O;CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO","InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9+,11-,12-,13-,14-,15+/m1/s1","","2007-11-26","2011-06-04","(3alpha,7beta)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one",""],["U0O","5-iodo-1H-imidazole","C3 H3 I N2","Ic1cnc[NH]1;Ic1[nH]cnc1;c1c([nH]cn1)I","InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)","","2023-08-28","2023-11-24","5-iodo-1H-imidazole","2023-11-29"],["U0P","N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea","C10 H15 N3 O2","C(N(C)Cc1noc(c1)C)(NC2CC2)=O;CN(Cc1cc(C)on1)C(=O)NC2CC2;Cc1cc(no1)CN(C)C(=O)NC2CC2","InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)","","2020-04-08","2020-04-10","N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea","2020-04-15"],["B2T","4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine","C10 H9 Cl N4 S","Clc2c(c1nc(nc(SC)n1)N)cccc2;CSc1nc(N)nc(n1)c2ccccc2Cl;CSc1nc(nc(n1)N)c2ccccc2Cl","InChI=1S/C10H9ClN4S/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15)","","2011-08-03","2011-09-09","4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine",""],["U0Q","4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C17 H21 N9","C[CH]1CCCN1c2n(C)c3nc(Nc4cnn(C)c4)nc(N)c3c2C#N;CC1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N","InChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1","4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-15","2021-07-02","4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["B2U","N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine","C20 H18 Cl N O6","c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O;C[CH]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[CH](Cc3ccccc3)C(O)=O;CC1Cc2c(cc(c(c2C(=O)O1)O)C(=O)NC(Cc3ccccc3)C(=O)O)Cl","InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1","","2019-01-09","2019-02-22","N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine","2019-02-27"],["U0R","5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde","C13 H8 Br2 Cl N O2","O=Cc1ncc(Br)cc1OCc1cc(Br)ccc1Cl;Clc1ccc(Br)cc1COc2cc(Br)cnc2C=O;c1cc(c(cc1Br)COc2cc(cnc2C=O)Br)Cl","InChI=1S/C13H8Br2ClNO2/c14-9-1-2-11(16)8(3-9)7-19-13-4-10(15)5-17-12(13)6-18/h1-6H,7H2","","2022-08-01","2024-09-27","5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde","2023-07-05"],["B2V","VALINE BORONIC ACID","C4 H12 B N O2","OB(O)C(N)C(C)C;CC(C)[CH](N)B(O)O;B(C(C(C)C)N)(O)O","InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-amino-2-methylpropyl]boronic acid",""],["U0S","(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane","C11 H15 N3 O","C3CC2(CN(c1nccnc1)CC2)CO3;C1C[C]2(CCN(C2)c3cnccn3)CO1;c1cnc(cn1)N2CCC3(C2)CCOC3","InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1","","2020-04-08","2020-04-10","(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane","2020-04-15"],["B2W","5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine","C6 H7 F3 N2","FC(F)(F)C1=NCCNC=C1;C1CN=C(C=CN1)C(F)(F)F","InChI=1S/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,10H,3-4H2","","2017-09-06","2018-05-11","5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine","2018-05-16"],["U0T","4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C21 H27 N9 O","C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N;Cc1c(cnn1C2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCCC5C)C#N)N","InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14+/m1/s1","4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-01-15","2021-07-02","4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2021-07-07"],["B2X","4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine","C16 H13 Cl N4 O S","Clc2c(c1cccc3c1c(c2)COC3)c4nc(nc(SC)n4)N;CSc1nc(N)nc(n1)c2c(Cl)cc3COCc4cccc2c34;CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4","InChI=1S/C16H13ClN4OS/c1-23-16-20-14(19-15(18)21-16)13-10-4-2-3-8-6-22-7-9(12(8)10)5-11(13)17/h2-5H,6-7H2,1H3,(H2,18,19,20,21)","","2011-08-03","2011-09-09","4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine",""],["U0U","[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid","C16 H16 F2 N O5 P","O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2;c1ccc(cc1)C(CNC(=O)COc2ccccc2P(=O)(O)O)(F)F","InChI=1S/C16H16F2NO5P/c17-16(18,12-6-2-1-3-7-12)11-19-15(20)10-24-13-8-4-5-9-14(13)25(21,22)23/h1-9H,10-11H2,(H,19,20)(H2,21,22,23)","","2023-01-18","2024-04-26","[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid","2024-05-01"],["B2Y","1-biphenyl-2-ylmethanamine","C13 H13 N","c2(c1ccccc1CN)ccccc2;NCc1ccccc1c2ccccc2;c1ccc(cc1)c2ccccc2CN","InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2","","2008-02-27","2011-06-04","1-biphenyl-2-ylmethanamine",""],["U0V","2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide","C14 H13 F N2 O","c2(CCNC(c1c(F)cccc1)=O)ccncc2;Fc1ccccc1C(=O)NCCc2ccncc2;c1ccc(c(c1)C(=O)NCCc2ccncc2)F","InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)","","2020-04-08","2020-04-10","2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide","2020-04-15"],["B2Z","(3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE)","C19 H20 F N3 O2","C[CH](CC(=O)N[CH](C)c1ccc2NC(=O)Nc2c1)c3ccccc3F;CC(CC(=O)NC(C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F","InChI=1S/C19H20FN3O2/c1-11(14-5-3-4-6-15(14)20)9-18(24)21-12(2)13-7-8-16-17(10-13)23-19(25)22-16/h3-8,10-12H,9H2,1-2H3,(H,21,24)(H2,22,23,25)/t11-,12+/m0/s1","","2015-08-25","2015-09-04","(3S)-3-(2-fluorophenyl)-N-[(1R)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]butanamide","2015-09-09"],["B30","{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER","C13 H15 Cu N3 O7 S","O=C1O[Cu]OC(=O)CN(C1)CCNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2;c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N","InChI=1S/C13H17N3O7S.Cu/c14-24(22,23)10-3-1-9(2-4-10)13(21)15-5-6-16(7-11(17)18)8-12(19)20;/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)(H2,14,22,23);/q;+2/p-2","","2006-03-27","2011-06-04","{2,2'-[(2-{[(4-sulfamoylphenyl)carbonyl]amino}ethyl)imino]diacetato(2-)-kappaO}copper",""],["U0W","5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid","C15 H14 O4","OC(=O)c1oc(COc2ccc3CCCc3c2)cc1;c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2","InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17)","5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid; 5-(indan-5-yloxymethyl)furan-2-carboxylic acid; 5-(Indan-5-yloxymethyl)-furan-2-carboxylic acid; 5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxylic acid","2021-01-16","2022-02-25","5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid","2022-03-02"],["U0X","(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol","C12 H20 F2 O9","O[CH]1[CH](O)[CH](CF)O[CH](O[CH]2O[CH](CF)[CH](O)[CH](O)[CH]2O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CF)O)O)O)O)O)O)F","InChI=1S/C12H20F2O9/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-12,15-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1","","2023-05-11","2023-09-22","(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol","2023-09-27"],["B31","(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide","C21 H41 N5 O12","O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN;NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2N)[CH](O[CH]3O[CH](CO)[CH](O)[CH]3O)[CH]1O;C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CN)O)O)N)N","InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1","Butirosin A","2009-05-10","2021-03-01","(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide",""],["U0Y","1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one","C14 H18 N2 O2","N2(CCN(C(c1ccc(cc1)C)=O)CC2)C(C)=O;CC(=O)N1CCN(CC1)C(=O)c2ccc(C)cc2;Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C","InChI=1S/C14H18N2O2/c1-11-3-5-13(6-4-11)14(18)16-9-7-15(8-10-16)12(2)17/h3-6H,7-10H2,1-2H3","","2020-04-08","2024-09-27","1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one","2020-04-15"],["B32","5'-S-[2-(decylamino)ethyl]-5'-thioadenosine","C22 H38 N6 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N;CCCCCCCCCCNCCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCNCCSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1","S-adenosyl-N-decyl-aminoethyl (SADAE)","2009-05-04","2021-03-01","5'-S-[2-(decylamino)ethyl]-5'-thioadenosine",""],["U0Z","5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline","C10 H10 N2 S","N=C1Sc2cccc3CCCN1c23;c1cc2c3c(c1)SC(=N)N3CCC2","InChI=1S/C10H10N2S/c11-10-12-6-2-4-7-3-1-5-8(13-10)9(7)12/h1,3,5,11H,2,4,6H2/b11-10+","3-Thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-imine","2021-01-17","2021-03-12","3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-imine","2021-03-17"],["B33","N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE","C11 H27 N3","N(CCC)CCCNCCCNCC;CCCNCCCNCCCNCC;CCCNCCCNCCCNCC","InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3","BE3","2006-01-03","2020-06-17","N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine",""],["U1","URANIUM ATOM","U","[U];[U];[U]","InChI=1S/U","","1999-07-08","2011-06-04","uranium",""],["B34","(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one","C21 H20 N2 O4 S","O=C4N(Cc1ccccc1)C(C(O)=C4C3=NS(=O)(=O)c2ccccc23)C(C)C;CC(C)[CH]1N(Cc2ccccc2)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34;CC(C)C1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O","InChI=1S/C21H20N2O4S/c1-13(2)19-20(24)17(21(25)23(19)12-14-8-4-3-5-9-14)18-15-10-6-7-11-16(15)28(26,27)22-18/h3-11,13,19,24H,12H2,1-2H3/t19-/m0/s1","","2008-05-11","2011-06-04","(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one",""],["B35","4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine","C19 H19 F N4 O4","[O-][N+](=O)c1cc(c(OC)cc1)CC(c2nc(N)nc2)c3ccc(OC)c(F)c3;COc1ccc(cc1F)[CH](Cc2cc(ccc2OC)[N+]([O-])=O)c3c[nH]c(N)n3;COc1ccc(cc1CC(c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-]","InChI=1S/C19H19FN4O4/c1-27-17-6-4-13(24(25)26)7-12(17)8-14(16-10-22-19(21)23-16)11-3-5-18(28-2)15(20)9-11/h3-7,9-10,14H,8H2,1-2H3,(H3,21,22,23)/t14-/m0/s1","","2009-04-18","2011-06-04","4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine",""],["U10","UBIQUINONE-10","C59 H90 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+","Coenzyme Q10","1999-07-08","2020-06-17","2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",""],["U11","METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE","C16 H20 F3 N3 O5","FC(F)(F)c1ccc(cc1)C(N)C(O)C(=O)NC(C(=O)NCC(=O)OC)C;COC(=O)CNC(=O)[CH](C)NC(=O)[CH](O)[CH](N)c1ccc(cc1)C(F)(F)F;CC(C(=O)NCC(=O)OC)NC(=O)C(C(c1ccc(cc1)C(F)(F)F)N)O","InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1","{2-[3-AMINO-2-HYDROXY-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-ACETIC ACID METHYL ESTER","2006-04-03","2020-06-17","methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}-L-alanylglycinate",""],["B36","6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline","C31 H28 N2 O","O=C(c3c1ccccc1cc2ccccc23)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6;Cc1ccc2cc(CC3CCN(CC3)C(=O)c4c5ccccc5cc6ccccc46)ccc2n1;Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6","InChI=1S/C31H28N2O/c1-21-10-12-26-19-23(11-13-29(26)32-21)18-22-14-16-33(17-15-22)31(34)30-27-8-4-2-6-24(27)20-25-7-3-5-9-28(25)30/h2-13,19-20,22H,14-18H2,1H3","Anthracen-9-yl-[4-(2-methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-methanon","2009-04-17","2020-06-17","6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline",""],["U12","5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE","C10 H7 F3 N6","FC(F)(F)c2cccc(/N=N/C=1C(=[N@H])N=NC=1N)c2;NC1=C(N=Nc2cccc(c2)C(F)(F)F)C(=N)N=N1;c1cc(cc(c1)N=NC2=C(N=NC2=N)N)C(F)(F)F","InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+","","2006-03-29","2011-06-04","(3Z)-3-imino-4-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}-3H-pyrazol-5-amine",""],["B37","4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline","C32 H29 N3 O","O=C(c2c3ccccc3nc(c1ccccc1)c2)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6;Cc1ccc2cc(CC3CCN(CC3)C(=O)c4cc(nc5ccccc45)c6ccccc6)ccc2n1;Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6","InChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3","[4-(2-Methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-(2-phenyl-quinolin-4-yl)-methanon","2009-04-17","2020-06-17","4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline",""],["U13","4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PYRAZOL-3-YLAMINE","C9 H7 F N6","Fc2ccc(/N=N/C=1C(=[N@H])N=NC=1N)cc2;NC1=C(N=Nc2ccc(F)cc2)C(=N)N=N1;[H]N=C1C(=C(N=N1)N)N=Nc2ccc(cc2)F","InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11H,12H2/b11-8+,14-13+","","2006-03-29","2011-06-04","(3E)-4-[(E)-(4-fluorophenyl)diazenyl]-3-imino-3H-pyrazol-5-amine",""],["B38","1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one","C22 H21 N3 O3","O=C4c5c(OC3(CCN(C(=O)c2cccc1cnnc12)CC3)C4)ccc(c5)C;Cc1ccc2OC3(CCN(CC3)C(=O)c4cccc5cn[nH]c45)CC(=O)c2c1;Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5","InChI=1S/C22H21N3O3/c1-14-5-6-19-17(11-14)18(26)12-22(28-19)7-9-25(10-8-22)21(27)16-4-2-3-15-13-23-24-20(15)16/h2-6,11,13H,7-10,12H2,1H3,(H,23,24)","","2009-04-17","2011-06-04","1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one",""],["U14","3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZO)-BENZOIC ACID","C10 H8 N6 O2","O=C(O)c2cc(/N=N/C=1C(=[N@H])N=NC=1N)ccc2;NC1=C(N=Nc2cccc(c2)C(O)=O)C(=N)N=N1;[H]N=C1C(=C(N=N1)N)N=Nc2cccc(c2)C(=O)O","InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11H,12H2,(H,17,18)/b11-8-,14-13+","","2006-04-03","2011-06-04","3-{(E)-[(3Z)-5-amino-3-imino-3H-pyrazol-4-yl]diazenyl}benzoic acid",""],["B39","[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate","C21 H25 N5 O4 S","O=S(=O)(OCC5CC(n2c1ncnc(c1cc2)NC4c3ccccc3CC4)CC5O)N;N[S](=O)(=O)OC[CH]1C[CH](C[CH]1O)n2ccc3c(N[CH]4CCc5ccccc45)ncnc23;c1ccc2c(c1)CCC2Nc3c4ccn(c4ncn3)C5CC(C(C5)O)COS(=O)(=O)N","InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1","","2009-04-17","2024-09-27","[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate",""],["U15","METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE","C20 H31 N3 O5","O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C)C)CC(C)C;COC(=O)[CH](CC(C)C)NC(=O)[CH](C)NC(=O)[CH](O)[CH](N)c1ccc(C)cc1;Cc1ccc(cc1)C(C(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)OC)O)N","InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15+,16+,17-/m0/s1","2-[2-(3-AMINO-2-HYDROXY-3-P-TOLYL-PROPIONYLAMINO)-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER","2006-04-03","2020-06-17","methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-L-alanyl-D-leucinate",""],["B3A","(3S)-3-AMINOBUTANOIC ACID","C4 H9 N O2","O=C(O)CC(N)C;C[CH](N)CC(O)=O;CC(CC(=O)O)N","InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","2007-02-28","2024-09-27","(3S)-3-aminobutanoic acid",""],["U16","METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE","C22 H35 N3 O5","O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C;COC(=O)[CH](CC(C)C)NC(=O)[CH](C)NC(=O)[CH](O)[CH](N)c1ccc(cc1)C(C)C;CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(C(c1ccc(cc1)C(C)C)N)O","InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1","2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER","2006-04-03","2021-03-01","methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate",""],["B3B","2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde","C17 H13 N3 O S","O=Cc3c(/C=N/Nc1nc(cs1)c2ccccc2)cccc3;O=Cc1ccccc1C=NNc2scc(n2)c3ccccc3;c1ccc(cc1)c2csc(n2)NN=Cc3ccccc3C=O","InChI=1S/C17H13N3OS/c21-11-15-9-5-4-8-14(15)10-18-20-17-19-16(12-22-17)13-6-2-1-3-7-13/h1-12H,(H,19,20)/b18-10+","","2013-08-01","2014-07-18","2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde","2014-07-23"],["U17","METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-L-SERYL-L-LEUCINATE","C17 H33 N3 O6","O=C(NC(C(=O)OC)CC(C)C)C(NC(=O)C(O)C(N)CCCC)CO;CCCC[CH](N)[CH](O)C(=O)N[CH](CO)C(=O)N[CH](CC(C)C)C(=O)OC;CCCCC(C(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)OC)O)N","InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1","2-[2-(3-AMINO-2-HYDROXY-HEPTANOYLAMINO)-3-HYDROXY-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER","2006-04-03","2020-06-17","methyl N-[(2S,3R)-3-amino-2-hydroxyheptanoyl]-L-seryl-L-leucinate",""],["B3C","benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate","C44 H51 N5 O7","O=C(OCc1ccccc1)NC(C(=O)N3CC(OCc2ccc(cc2)C)CC3C(=O)NC(CCCCN)C(O)c4nc5ccccc5o4)CCc6ccccc6;Cc1ccc(CO[CH]2C[CH](N(C2)C(=O)[CH](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[CH](CCCCN)[CH](O)c5oc6ccccc6n5)cc1;Cc1ccc(cc1)COC2CC(N(C2)C(=O)C(CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)NC(CCCCN)C(c5nc6ccccc6o5)O","InChI=1S/C44H51N5O7/c1-30-19-21-33(22-20-30)28-54-34-26-38(41(51)46-36(17-10-11-25-45)40(50)42-47-35-16-8-9-18-39(35)56-42)49(27-34)43(52)37(24-23-31-12-4-2-5-13-31)48-44(53)55-29-32-14-6-3-7-15-32/h2-9,12-16,18-22,34,36-38,40,50H,10-11,17,23-29,45H2,1H3,(H,46,51)(H,48,53)/t34-,36+,37-,38+,40+/m1/s1","","2008-08-05","2011-06-04","benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate",""],["U18","(S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID","C27 H24 N4 O6","O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O;CC1=Nc2ccc3ccc(CNc4ccc5c(CN([CH](CCC(O)=O)C(O)=O)C5=O)c4)cc3c2C(=O)N1;CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)C(CCC(=O)O)C(=O)O","InChI=1/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1/f/h30,32,36H","","1999-07-08","2008-10-14","(2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid",""],["B3D","3-AMINOPENTANEDIOIC ACID","C5 H9 N O4","O=C(O)CC(N)CC(=O)O;NC(CC(O)=O)CC(O)=O;C(C(CC(=O)O)N)C(=O)O","InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)","BETA-HOMOASPARTATE","2007-02-28","2024-09-27","3-aminopentanedioic acid",""],["U19","5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE","C10 H7 F3 N6","FC(F)(F)c2c(/N=N/C=1C(=[N@H])N=NC=1N)cccc2;NC1=C(N=Nc2ccccc2C(F)(F)F)C(=N)N=N1;[H]N=C1C(=C(N=N1)N)N=Nc2ccccc2C(F)(F)F","InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8-,17-16+","","2006-04-03","2011-06-04","(3Z)-3-imino-4-{(E)-[2-(trifluoromethyl)phenyl]diazenyl}-3H-pyrazol-5-amine",""],["B3E","(3S)-3-AMINOHEXANEDIOIC ACID","C6 H11 N O4","O=C(O)CCC(N)CC(=O)O;N[CH](CCC(O)=O)CC(O)=O;C(CC(=O)O)C(CC(=O)O)N","InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1","","2007-02-28","2024-09-27","(3S)-3-aminohexanedioic acid",""],["U1A","1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C13 H18 N2 O3 S","N1(CCN(CC1)S(c2ccc(cc2)C)(=O)=O)C(=O)C;CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2;Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C","InChI=1S/C13H18N2O3S/c1-11-3-5-13(6-4-11)19(17,18)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3","","2020-04-08","2024-09-27","1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-04-15"],["B3F","~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide","C20 H26 N2 O2","CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1;CCCCCOc1cccc(c1)Nc2ccccc2NC(=O)CC","InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23)","","2023-07-17","2024-09-27","~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide","2023-12-13"],["U1B","4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde","C12 H14 N2 O4","O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O;c1cc(c(cc1C=O)N2CCCC(C2)O)N(=O)=O","InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1","4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde; 3-(3-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde","2021-01-17","2024-09-27","4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde","2021-06-09"],["B3G","(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C22 H32 Cl N3 O8 S","C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O;CC(C)C[CH](NC(=O)OCCc1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl","InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1","","2017-07-31","2024-09-27","(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["U1C","Dantrolene","C14 H10 N4 O5","[O-][N+](=O)c1ccc(cc1)c1ccc(C=N/N2CC(=O)NC2=O)o1;[O-][N+](=O)c1ccc(cc1)c2oc(cc2)C=NN3CC(=O)NC3=O;c1cc(ccc1c2ccc(o2)C=NN3CC(=O)NC3=O)[N+](=O)[O-]","InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7-","1-[(Z)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione","2022-08-01","2024-12-06","1-[(Z)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione","2024-12-11"],["B3H","(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE","C16 H30 O5","O=C(OC(COC(=O)CCCCCCCC)CO)CCC;CCCCCCCCC(=O)OC[CH](CO)OC(=O)CCC;CCCCCCCCC(=O)OCC(CO)OC(=O)CCC","InChI=1S/C16H30O5/c1-3-5-6-7-8-9-11-15(18)20-13-14(12-17)21-16(19)10-4-2/h14,17H,3-13H2,1-2H3/t14-/m0/s1","","2006-06-16","2011-06-04","(2S)-2-(butanoyloxy)-3-hydroxypropyl nonanoate",""],["U1D","N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide","C11 H14 N2 O2 S","N(NC(C)=O)C(c2cc1CCCCc1s2)=O;CC(=O)NNC(=O)c1sc2CCCCc2c1;CC(=O)NNC(=O)c1cc2c(s1)CCCC2","InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)","","2020-04-08","2024-09-27","N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide","2020-04-15"],["B3I","2,3,5-TRIIODOBENZOIC ACID","C7 H3 I3 O2","Ic1c(C(=O)O)cc(I)cc1I;OC(=O)c1cc(I)cc(I)c1I;c1c(cc(c(c1C(=O)O)I)I)I","InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)","","1999-07-08","2011-06-04","2,3,5-triiodobenzoic acid",""],["U1E","~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine","C14 H18 N2","CN(C)c1cccc2cccc(N(C)C)c12;CN(C)c1cccc2c1c(ccc2)N(C)C","InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3","","2021-01-18","2022-02-25","~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine","2022-03-02"],["B3J","(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C31 H48 N4 O10 S","C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O;CC(C)C[CH](NC(=O)OC1(CCN(CC1)C(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3","InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1","","2017-07-31","2024-09-27","(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["U1F","(3,5-dimethylphenyl)(4-hydroxy-3-methoxy-5-nitrophenyl)methanone","C16 H15 N O5","COc1cc(cc([N+]([O-])=O)c1O)C(=O)c1cc(C)cc(C)c1;COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(C)cc(C)c2;Cc1cc(cc(c1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-])C","InChI=1S/C16H15NO5/c1-9-4-10(2)6-11(5-9)15(18)12-7-13(17(20)21)16(19)14(8-12)22-3/h4-8,19H,1-3H3","","2023-01-19","2026-04-06","(3,5-dimethylphenyl)(4-hydroxy-3-methoxy-5-nitrophenyl)methanone","2024-01-17"],["B3K","(3S)-3,7-DIAMINOHEPTANOIC ACID","C7 H16 N2 O2","O=C(O)CC(N)CCCCN;NCCCC[CH](N)CC(O)=O;C(CCN)CC(CC(=O)O)N","InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1","","2007-02-28","2024-09-27","(3S)-3,7-diaminoheptanoic acid",""],["U1G","1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one","C11 H14 N2 O3","N1(CCN(CC1)C(C)=O)C(c2ccco2)=O;CC(=O)N1CCN(CC1)C(=O)c2occc2;CC(=O)N1CCN(CC1)C(=O)c2ccco2","InChI=1S/C11H14N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3","","2020-04-08","2024-09-27","1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one","2020-04-15"],["B3L","(3S)-3-amino-5-methylhexanoic acid","C7 H15 N O2","O=C(O)CC(N)CC(C)C;CC(C)C[CH](N)CC(O)=O;CC(C)CC(CC(=O)O)N","InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1","(S)-beta-3-homoleucine","2008-02-05","2024-09-27","(3S)-3-amino-5-methylhexanoic acid",""],["U1H","[4-(trifluoromethyl)phenyl]methanamine","C8 H8 F3 N","NCc1ccc(cc1)C(F)(F)F;c1cc(ccc1CN)C(F)(F)F","InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2","4-(Trifluoromethyl)benzylamine; p-trifluoromethylbenzylamine; 4-Aminomethylbenzotrifluoride","2021-01-18","2022-08-12","[4-(trifluoromethyl)phenyl]methanamine","2022-08-17"],["B3M","(3R)-3-amino-5-(methylsulfanyl)pentanoic acid","C6 H13 N O2 S","O=C(O)CC(N)CCSC;CSCC[CH](N)CC(O)=O;CSCCC(CC(=O)O)N","InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1","","2008-11-19","2024-09-27","(3R)-3-amino-5-(methylsulfanyl)pentanoic acid",""],["B3N","4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide","C16 H25 N3 O3","O=C(NO)CCCCCCNC(=O)c1ccc(N(C)C)cc1;CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO;CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO","InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)","M344","2004-05-10","2020-06-17","4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide",""],["U1I","methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate","C13 H17 N O2","COC(=O)C1(CCNC1)c1ccc(C)cc1;COC(=O)[C]1(CCNC1)c2ccc(C)cc2;Cc1ccc(cc1)C2(CCNC2)C(=O)OC","InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1","","2023-08-29","2023-11-24","methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate","2023-11-29"],["U1J","5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde","C14 H11 Br N2 O4","O=Cc1ncc(Br)cc1OCc1ccc(C)c(c1)[N+]([O-])=O;Cc1ccc(COc2cc(Br)cnc2C=O)cc1[N+]([O-])=O;Cc1ccc(cc1[N+](=O)[O-])COc2cc(cnc2C=O)Br","InChI=1S/C14H11BrN2O4/c1-9-2-3-10(4-13(9)17(19)20)8-21-14-5-11(15)6-16-12(14)7-18/h2-7H,8H2,1H3","","2022-08-02","2024-09-27","5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde","2023-06-28"],["B3O","(1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione","C22 H25 N O2","C2(C)C=CC1CCCC(C1C23C(=O)NC=C(C3=O)c4ccccc4)C;C[CH]1CCC[CH]2C=C[CH](C)[C]3([CH]12)C(=O)NC=C(C3=O)c4ccccc4;CC1CCCC2C1C3(C(C=C2)C)C(=O)C(=CNC3=O)c4ccccc4","InChI=1S/C22H25NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(13-23-21(22)25)16-8-4-3-5-9-16/h3-5,8-9,11-15,17,19H,6-7,10H2,1-2H3,(H,23,25)/t14-,15+,17-,19+,22+/m0/s1","","2019-01-10","2019-07-12","(1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione","2019-07-17"],["B3P","2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL","C11 H26 N2 O6","OCC(NCCCNC(CO)(CO)CO)(CO)CO;OCC(CO)(CO)NCCCNC(CO)(CO)CO;C(CNC(CO)(CO)CO)CNC(CO)(CO)CO","InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2","","1999-10-15","2011-06-04","2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]",""],["U1K","(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID","C10 H16 N2 O3 S","[O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C;CC(C)(C)c1snc([O-])c1C[CH]([NH3+])C(O)=O;CC(C)(C)c1c(c(ns1)[O-])CC(C(=O)O)[NH3+]","InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1","THIO-ATPA","2003-08-05","2021-03-01","4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate",""],["U1L","4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide","C15 H17 N5 O3","C[CH](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO;CC(C(=O)NO)Nc1c2ccccc2nc(n1)C(=O)NCC=C","InChI=1S/C15H17N5O3/c1-3-8-16-15(22)13-18-11-7-5-4-6-10(11)12(19-13)17-9(2)14(21)20-23/h3-7,9,23H,1,8H2,2H3,(H,16,22)(H,20,21)(H,17,18,19)/t9-/m0/s1","","2023-01-19","2024-01-26","4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide","2024-01-31"],["B3Q","(3S)-3,6-diamino-6-oxohexanoic acid","C6 H12 N2 O3","O=C(N)CCC(N)CC(=O)O;N[CH](CCC(N)=O)CC(O)=O;C(CC(=O)N)C(CC(=O)O)N","InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1","(S)-beta-3-homoglutamine","2008-02-05","2024-09-27","(3S)-3,6-diamino-6-oxohexanoic acid",""],["B3R","3-bromophenol","C6 H5 Br O","Brc1cc(O)ccc1;Oc1cccc(Br)c1;c1cc(cc(c1)Br)O","InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H","","2010-05-05","2011-06-04","3-bromophenol",""],["U1M","1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C14 H20 N2 O3 S","N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O;CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C;Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C","InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3","","2020-04-08","2024-09-27","1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-04-15"],["U1N","4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE","C19 H21 F N2 O2","O=C(c1ccc(F)cc1)CNC(C)CCc2ccc(C(=O)N)cc2;C[CH](CCc1ccc(cc1)C(N)=O)NCC(=O)c2ccc(F)cc2;CC(CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F","InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1","","2007-01-10","2011-06-04","4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide",""],["B3S","(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID","C4 H9 N O3","O=C(O)CC(N)CO;N[CH](CO)CC(O)=O;C(C(CO)N)C(=O)O","InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1","","2007-02-28","2024-09-27","(3R)-3-amino-4-hydroxybutanoic acid",""],["U1O","N-(9-oxidanylidenethioxanthen-2-yl)ethanamide","C15 H11 N O2 S","CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1;CC(=O)Nc1ccc2c(c1)C(=O)c3ccccc3S2","InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17)","","2023-05-11","2024-09-27","~{N}-(9-oxidanylidenethioxanthen-2-yl)ethanamide","2024-07-17"],["B3T","3-amino-2,3,5-trideoxy-D-threo-pentonic acid","C5 H11 N O3","O=C(O)CC(N)C(O)C;C[CH](O)[CH](N)CC(O)=O;CC(C(CC(=O)O)N)O","InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1","","2008-11-10","2024-09-27","3-amino-2,3,5-trideoxy-D-threo-pentonic acid",""],["U1P","6-[(E)-iminomethyl]uridine 5'-phosphate","C10 H14 N3 O9 P","O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C=N;[H]N=CC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1","","2008-10-23","2024-09-27","6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate)",""],["B3U","2-amino-L-histidine","C6 H10 N4 O2","O=C(O)C(N)Cc1cnc(N)n1;N[CH](Cc1[nH]c(N)nc1)C(O)=O;c1c([nH]c(n1)N)CC(C(=O)O)N","InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1","","2007-11-07","2024-09-27","2-amino-L-histidine",""],["U1Q","5-fluoranylpyridin-2-amine","C5 H5 F N2","Nc1ccc(F)cn1;c1cc(ncc1F)N","InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)","","2021-01-18","2022-02-25","5-fluoranylpyridin-2-amine","2022-03-02"],["B3V","N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide","C13 H22 N2 O3 S","O=S(=O)(NCCN(CC)CC)c1cc(OC)ccc1;CCN(CC)CCN[S](=O)(=O)c1cccc(OC)c1;CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC","InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3","","2012-08-24","2014-09-05","N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide","2013-09-04"],["U1R","5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde","C17 H12 Br N O2","O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1;Brc1cnc(C=O)c(OCc2ccc3ccccc3c2)c1;c1ccc2cc(ccc2c1)COc3cc(cnc3C=O)Br","InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2","","2022-08-02","2024-09-27","5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde","2023-06-28"],["B3W","4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide","C12 H19 Cl N2 O2 S","O=S(=O)(c1ccc(Cl)cc1)NCCN(CC)CC;CCN(CC)CCN[S](=O)(=O)c1ccc(Cl)cc1;CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl","InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3","","2012-08-24","2014-09-05","4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide","2013-09-04"],["B3X","(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID","C5 H10 N2 O3","O=C(N)CC(N)CC(=O)O;N[CH](CC(N)=O)CC(O)=O;C(C(CC(=O)O)N)C(=O)N","InChI=1S/C5H10N2O3/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1","","2007-02-28","2024-09-27","(3S)-3,5-diamino-5-oxopentanoic acid",""],["U1S","1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-L-arabinofuranosyl}pyrimidine-2,4(1H,3H)-dione","C17 H25 N3 O7","O=C(OCC)C1CCN(CC1)CC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O;CCOC(=O)[CH]1CCN(CC1)C[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CCOC(=O)C1CCN(CC1)CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C17H25N3O7/c1-2-26-16(24)10-3-6-19(7-4-10)9-11-13(22)14(23)15(27-11)20-8-5-12(21)18-17(20)25/h5,8,10-11,13-15,22-23H,2-4,6-7,9H2,1H3,(H,18,21,25)/t11-,13-,14+,15+/m0/s1","","2008-06-10","2011-06-04","1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-L-arabinofuranosyl}pyrimidine-2,4(1H,3H)-dione",""],["U1T","5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one","C21 H22 N2 O","O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCCC3)C;Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCCC4)cc3;Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4","InChI=1S/C21H22N2O/c1-15-5-4-6-18-19(15)13-20(22-21(18)24)17-9-7-16(8-10-17)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,24)","","2014-08-08","2015-07-24","5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one","2015-07-29"],["B3Y","(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID","C10 H13 N O3","O=C(O)CC(N)Cc1ccc(O)cc1;N[CH](CC(O)=O)Cc1ccc(O)cc1;c1cc(ccc1CC(CC(=O)O)N)O","InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1","","2007-02-28","2024-09-27","(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid",""],["U1U","~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine","C21 H19 Cl N4 O","COc1ccc(Nc2ncnc3n(ccc23)c4ccc(C)c(C)c4)cc1Cl;Cc1ccc(cc1C)n2ccc3c2ncnc3Nc4ccc(c(c4)Cl)OC","InChI=1S/C21H19ClN4O/c1-13-4-6-16(10-14(13)2)26-9-8-17-20(23-12-24-21(17)26)25-15-5-7-19(27-3)18(22)11-15/h4-12H,1-3H3,(H,23,24,25)","","2023-01-19","2023-04-21","~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine","2023-04-26"],["B3Z","N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide","C12 H19 F N2 O2 S","Fc1ccccc1S(=O)(=O)NCCN(CC)CC;CCN(CC)CCN[S](=O)(=O)c1ccccc1F;CCN(CC)CCNS(=O)(=O)c1ccccc1F","InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3","","2012-08-24","2014-09-05","N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide","2013-09-04"],["U1V","1-(4-fluoro-2-methylphenyl)methanesulfonamide","C8 H10 F N O2 S","c1cc(CS(N)(=O)=O)c(C)cc1F;Cc1cc(F)ccc1C[S](N)(=O)=O;Cc1cc(ccc1CS(=O)(=O)N)F","InChI=1S/C8H10FNO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)","","2020-04-08","2020-04-10","1-(4-fluoro-2-methylphenyl)methanesulfonamide","2020-04-15"],["B40","(2S)-N-methyl-1-phenylpropan-2-amine","C10 H15 N","N(C(Cc1ccccc1)C)C;CN[CH](C)Cc1ccccc1;CC(Cc1ccccc1)NC","InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1","Methamphetamine","2009-03-19","2021-03-01","(2S)-N-methyl-1-phenylpropan-2-amine",""],["U1W","3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine","C12 H15 N3","CCN1C(=N)N2CCCc3cccc1c23;CCN1c2cccc3c2N(C1=N)CCC3","InChI=1S/C12H15N3/c1-2-14-10-7-3-5-9-6-4-8-15(11(9)10)12(14)13/h3,5,7,13H,2,4,6,8H2,1H3/b13-12+","","2021-01-18","2021-03-12","3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine","2021-03-17"],["B41","(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine","C11 H15 N O2","O1c2ccc(cc2OC1)CC(NC)C;CN[CH](C)Cc1ccc2OCOc2c1;CC(Cc1ccc2c(c1)OCO2)NC","InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1","3,4 methylenedioxy-n-methylamphetamine; MDMA; Ecstasy","2009-03-18","2020-05-26","(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine",""],["U1X","N-phenylpyrrolidine-1-carboxamide","C11 H14 N2 O","O=C(Nc1ccccc1)N1CCCC1;O=C(Nc1ccccc1)N2CCCC2;c1ccc(cc1)NC(=O)N2CCCC2","InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)","","2023-08-29","2023-11-24","N-phenylpyrrolidine-1-carboxamide","2023-11-29"],["B42","N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","C24 H34 N4 O6 S2","O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)N=C(N2)C3=C(O)C(C)(CCC(C)C)CN(C3=O)C4CCCC4)C;CC(C)CC[C]1(C)CN(C2CCCC2)C(=O)C(=C1O)C3=N[S](=O)(=O)c4cc(N[S](C)(=O)=O)ccc4N3;CC(C)CCC1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C","InChI=1S/C24H34N4O6S2/c1-15(2)11-12-24(3)14-28(17-7-5-6-8-17)23(30)20(21(24)29)22-25-18-10-9-16(26-35(4,31)32)13-19(18)36(33,34)27-22/h9-10,13,15,17,26,29H,5-8,11-12,14H2,1-4H3,(H,25,27)/t24-/m1/s1","N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-6H-pyridin-3-yl]-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-7-yl]methanesulfonamide","2009-04-09","2021-03-13","N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["B43","4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane","C23 H22 N4 O","n1c(c2c(nc1)n(cc2c4ccc(Oc3ccccc3)cc4)C5CCCC5)N;Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCCC5;c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5","InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)","7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2009-02-27","2020-06-17","7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["U1Y","methyl 6-thio-beta-D-glucopyranoside","C7 H14 O5 S","SCC1OC(C(C(C1O)O)O)OC;CO[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CS)O)O)O","InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1","","2020-04-08","2020-07-17","methyl 6-thio-beta-D-glucopyranoside","2020-07-29"],["B44","N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)","C18 H24 N5 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)NCCc3ccccc3)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(NCCc4ccccc4)ncnc23;c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C18H24N5O13P3/c24-14-12(8-33-38(29,30)36-39(31,32)35-37(26,27)28)34-18(15(14)25)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-25H,6-8H2,(H,29,30)(H,31,32)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1","","2009-02-25","2011-06-04","N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)",""],["U1Z","4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile","C20 H19 N7","Cn1cc(CCn2cnc(c3cnn(C)c3)c2c4ccc(cc4)C#N)cn1;Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C","InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3","BAZ2-ICR","2021-01-18","2022-02-25","4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile","2022-03-02"],["U20","uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine","C31 H53 N3 O19 P2","O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O;CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O","InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1","(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox\nytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-\npyran-4-yl (3R)-3-hydroxytetradecanoate","2007-07-30","2020-06-17","(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name)",""],["B45","5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one","C28 H27 Cl3 F N3 O","Fc1ccc(c(Cl)c1)c2cc(cc4c2CNC(=O)N4c3c(Cl)cccc3Cl)C5CCN(C(C)C)CC5;CC(C)N1CCC(CC1)c2cc3N(C(=O)NCc3c(c2)c4ccc(F)cc4Cl)c5c(Cl)cccc5Cl;CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F","InChI=1S/C28H27Cl3FN3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(32)14-25(20)31)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36)","","2009-02-25","2011-06-04","5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one",""],["B46","prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate","C21 H22 N6 O2 S","O=C(OCC#C)NCc4nnc(c1sc(nc1N2CCCCC2)c3cnccc3)c4;O=C(NCc1cc([nH]n1)c2sc(nc2N3CCCCC3)c4cccnc4)OCC#C;C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4","InChI=1S/C21H22N6O2S/c1-2-11-29-21(28)23-14-16-12-17(26-25-16)18-19(27-9-4-3-5-10-27)24-20(30-18)15-7-6-8-22-13-15/h1,6-8,12-13H,3-5,9-11,14H2,(H,23,28)(H,25,26)","","2009-02-11","2011-06-04","prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate",""],["U21","uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine","C27 H45 N3 O19 P2","O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O;CCCCCCCC(CC(=O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O","InChI=1S/C27H45N3O19P2/c1-3-4-5-6-7-8-15(33)11-19(35)47-24-20(28-14(2)32)26(46-16(12-31)22(24)37)48-51(42,43)49-50(40,41)44-13-17-21(36)23(38)25(45-17)30-10-9-18(34)29-27(30)39/h9-10,15-17,20-26,31,33,36-38H,3-8,11-13H2,1-2H3,(H,28,32)(H,40,41)(H,42,43)(H,29,34,39)/t15-,16-,17-,20-,21-,22-,23-,24-,25-,26-/m1/s1","(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox\nytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-\npyran-4-yl (3R)-3-hydroxydecanoate","2007-07-31","2020-06-17","(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxydecanoate (non-preferred name)",""],["U22","uridine-5'-diphosphate-3-N-(R-3-hydroxylauroyl)-N-acetyl-D-glucosamine","C29 H50 N4 O18 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(NC(=O)CC(O)CCCCCCCCC)C3NC(=O)C)CO)O)O;CCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O;CCCCCCCCCC(CC(=O)NC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O","InChI=1S/C29H50N4O18P2/c1-3-4-5-6-7-8-9-10-17(36)13-21(38)31-22-23(30-16(2)35)28(49-18(14-34)24(22)39)50-53(45,46)51-52(43,44)47-15-19-25(40)26(41)27(48-19)33-12-11-20(37)32-29(33)42/h11-12,17-19,22-28,34,36,39-41H,3-10,13-15H2,1-2H3,(H,30,35)(H,31,38)(H,43,44)(H,45,46)(H,32,37,42)/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1","(2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y\nl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen\ndiphosphate","2009-07-30","2020-06-17","(2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["B47","methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate","C20 H23 N5 O3 S","O=C(OC)NCc4nnc(c1sc(nc1N2CCC(O)CC2)c3ccccc3)c4;COC(=O)NCc1cc([nH]n1)c2sc(nc2N3CCC(O)CC3)c4ccccc4;COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O","InChI=1S/C20H23N5O3S/c1-28-20(27)21-12-14-11-16(24-23-14)17-18(25-9-7-15(26)8-10-25)22-19(29-17)13-5-3-2-4-6-13/h2-6,11,15,26H,7-10,12H2,1H3,(H,21,27)(H,23,24)","","2009-02-11","2011-06-04","methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate",""],["U23","URIDINE-5'-MONOPHOSPHATE-2',3'-CYCLIC PHOSPHATE","C9 H12 N2 O11 P2","N1(C(=O)NC(=O)C=C1)C3C2C(OP(O2)(=O)O)C(O3)COP(=O)(O)O;O[P](O)(=O)OC[CH]1O[CH]([CH]2O[P](O)(=O)O[CH]12)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C3C(C(O2)COP(=O)(O)O)OP(=O)(O3)O","InChI=1S/C9H12N2O11P2/c12-5-1-2-11(9(13)10-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H,10,12,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1","","2020-07-31","2020-09-04","[(2S,3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate","2020-09-09"],["B48","4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole","C12 H11 N3 S3","s1cccc1c2nc(c(s2)c3cc(SC)nn3)C;CSc1cc([nH]n1)c2sc(nc2C)c3sccc3;Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC","InChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15)","","2009-02-11","2011-06-04","4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole",""],["U25","URIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17H","","2002-08-23","2009-01-07","5'-uridylic acid",""],["B49","N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo\nxamide","C22 H27 F N4 O2","O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C;CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C;CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C","InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-","SUNITINIB","2009-01-29","2020-06-17","N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide",""],["U26","(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione","C19 H14 F N3 O2","Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1;Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1;c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F","InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2","","2022-08-02","2023-06-23","(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione","2023-06-28"],["B4A","2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","C25 H26 N8 O2 S2","N(C(Cc1ccccc1)=O)c5nnc(NC2CCN(CC2)c3sc(nn3)NC(=O)Cc4ccccc4)s5;O=C(Cc1ccccc1)Nc2sc(NC3CCN(CC3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)","","2017-07-31","2018-01-05","2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","2018-01-10"],["U27","2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","C24 H23 N7 O3 S2","C5C(Oc1sc(nn1)NC(Cc2ccccc2)=O)CN(c4nnc(NC(Cc3ccccc3)=O)s4)C5;O=C(Cc1ccccc1)Nc2sc(O[CH]3CCN(C3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C24H23N7O3S2/c32-19(13-16-7-3-1-4-8-16)25-21-27-29-23(35-21)31-12-11-18(15-31)34-24-30-28-22(36-24)26-20(33)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,27,32)(H,26,28,33)/t18-/m1/s1","","2019-10-10","2020-10-09","2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide","2020-10-14"],["B4B","5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline","C25 H22 N6","C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5cccc6ncccc56;c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6","InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2","","2017-09-07","2017-09-15","5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline","2017-09-20"],["B4C","benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate","C37 H48 N6 O6","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCCN)C(O)c2nc3ccccc3o2)CCc4ccccc4)CCCCN;NCCCC[CH](NC(=O)[CH](CCc1ccccc1)NC(=O)[CH](CCCCN)NC(=O)OCc2ccccc2)[CH](O)c3oc4ccccc4n3;c1ccc(cc1)CCC(C(=O)NC(CCCCN)C(c2nc3ccccc3o2)O)NC(=O)C(CCCCN)NC(=O)OCc4ccccc4","InChI=1S/C37H48N6O6/c38-23-11-9-18-29(33(44)36-42-28-17-7-8-20-32(28)49-36)40-35(46)31(22-21-26-13-3-1-4-14-26)41-34(45)30(19-10-12-24-39)43-37(47)48-25-27-15-5-2-6-16-27/h1-8,13-17,20,29-31,33,44H,9-12,18-19,21-25,38-39H2,(H,40,46)(H,41,45)(H,43,47)/t29-,30-,31-,33-/m0/s1","","2008-08-12","2011-06-04","benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate",""],["U28","methyl (Z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate","C19 H24 Cl N O4","CCC1(CCN(CC1)Cc2cccc(Cl)c2)C(=O)C=C(O)C(=O)OC;CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)C=C(C(=O)OC)O","InChI=1S/C19H24ClNO4/c1-3-19(17(23)12-16(22)18(24)25-2)7-9-21(10-8-19)13-14-5-4-6-15(20)11-14/h4-6,11-12,22H,3,7-10,13H2,1-2H3/b16-12-","","2021-06-01","2022-02-11","methyl (~{Z})-4-[1-[(3-chlorophenyl)methyl]-4-ethyl-piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["B4D","(3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","C11 H14 Cl N3 O4 S3","O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)CSC/C=C)N;N[S](=O)(=O)c1cc2c(N[CH](CSCC=C)N[S]2(=O)=O)cc1Cl;C=CCSCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl","InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)/t11-/m0/s1","","2009-08-06","2011-06-04","(3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",""],["U29","methyl (5S)-1-acetyl-5-methyl-L-prolinate","C9 H15 N O3","CC1CCC(C(=O)OC)N1C(=O)C;COC(=O)[CH]1CC[CH](C)N1C(C)=O;CC1CCC(N1C(=O)C)C(=O)OC","InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1","","2023-08-29","2023-11-24","methyl (5S)-1-acetyl-5-methyl-L-prolinate","2023-11-29"],["U2A","methyl 2-thio-beta-D-glucopyranoside","C7 H14 O5 S","SC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S;COC1C(C(C(C(O1)CO)O)O)S","InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1","","2020-04-08","2020-07-17","methyl 2-thio-beta-D-glucopyranoside","2020-07-29"],["B4E","cyclical inhibitor OD36","C16 H15 Cl N4 O2","Clc1cc2OCCOCCNc3ccn4ncc(c(c1)c2)c4n3;c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3","InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)","","2017-09-12","2017-09-22","","2017-09-27"],["U2B","(1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione","C20 H15 N3 O2","O=C1N(C(=O)NC21CCc1ccccc12)c1cncc2ccccc21;O=C1N[C]2(CCc3ccccc23)C(=O)N1c4cncc5ccccc45;c1ccc2c(c1)cncc2N3C(=O)C4(CCc5c4cccc5)NC3=O","InChI=1S/C20H15N3O2/c24-18-20(10-9-13-5-2-4-8-16(13)20)22-19(25)23(18)17-12-21-11-14-6-1-3-7-15(14)17/h1-8,11-12H,9-10H2,(H,22,25)/t20-/m1/s1","","2022-08-02","2023-06-23","(1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione","2023-06-28"],["B4F","biotin-4-fluorescein","C33 H32 N4 O8 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCNC(=O)c6ccc(C=4c5ccc(O)cc5OC3=CC(=O)C=CC3=4)c(C(=O)O)c6;OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)C(=O)NCCNC(=O)CCCC[CH]5SC[CH]6NC(=O)N[CH]56;c1cc(c(cc1C(=O)NCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O","InChI=1S/C33H32N4O8S/c38-18-6-9-21-25(14-18)45-26-15-19(39)7-10-22(26)29(21)20-8-5-17(13-23(20)32(42)43)31(41)35-12-11-34-28(40)4-2-1-3-27-30-24(16-46-27)36-33(44)37-30/h5-10,13-15,24,27,30,38H,1-4,11-12,16H2,(H,34,40)(H,35,41)(H,42,43)(H2,36,37,44)/t24-,27-,30-/m0/s1","","2013-07-09","2014-09-05","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-{[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]carbamoyl}benzoic acid","2013-09-25"],["U2C","(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide","C17 H17 Cl N4 O3","C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO;CC(Cc1c2cc(ccc2nc(n1)NCc3ccco3)Cl)C(=O)NO","InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1","","2023-01-19","2024-01-26","(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide","2024-01-31"],["B4G","GALACTOTRIOSE","C18 H32 O16","O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1","BETA-1,4-GALACTOTRIOSIDE","2003-10-23","2020-07-17","beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose",""],["U2D","6-O-decanoyl-alpha-D-glucopyranose","C16 H30 O7","C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O;CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1","","2020-04-09","2020-07-17","6-O-decanoyl-alpha-D-glucopyranose","2020-07-29"],["B4H","N-methylidene-3-nitrobenzamide","C8 H6 N2 O3","O=[N+](c1cc(ccc1)C(=O)N=C)[O-];[O-][N+](=O)c1cccc(c1)C(=O)N=C;C=NC(=O)c1cccc(c1)[N+](=O)[O-]","InChI=1S/C8H6N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H2","","2015-09-30","2024-09-27","N-methylidene-3-nitrobenzamide","2016-09-21"],["B4I","4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid","C27 H26 Cl2 N2 O6","Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2ccc(cc2[N+]([O-])=O)C(=O)O)C1c1ccccc1;OC[CH](O[CH]1CCCN(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)[CH]1c3ccccc3)c4cc(Cl)cc(Cl)c4;c1ccc(cc1)C2C(CCCN2Cc3ccc(cc3[N+](=O)[O-])C(=O)O)OC(CO)c4cc(cc(c4)Cl)Cl","InChI=1S/C27H26Cl2N2O6/c28-21-11-20(12-22(29)14-21)25(16-32)37-24-7-4-10-30(26(24)17-5-2-1-3-6-17)15-19-9-8-18(27(33)34)13-23(19)31(35)36/h1-3,5-6,8-9,11-14,24-26,32H,4,7,10,15-16H2,(H,33,34)/t24-,25+,26-/m0/s1","","2021-11-11","2022-08-19","4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid","2022-08-24"],["U2E","methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate","C25 H31 N3 O6","CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCNCC3)c(c2)C(=O)OC)C(C)=O;CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C","InChI=1S/C25H31N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-8,15-16,26H,4,9-14H2,1-3H3,(H,27,30)","","2021-01-19","2022-02-25","methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate","2022-03-02"],["B4J","3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide","C24 H26 N4 O4 S","c1(cc(ccc1OC)C(NCc2cccc(c2)C(Nc4nc3CCN(Cc3s4)C)=O)=O)OC;COc1ccc(cc1OC)C(=O)NCc2cccc(c2)C(=O)Nc3sc4CN(C)CCc4n3;CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1","InChI=1S/C24H26N4O4S/c1-28-10-9-18-21(14-28)33-24(26-18)27-23(30)16-6-4-5-15(11-16)13-25-22(29)17-7-8-19(31-2)20(12-17)32-3/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,27,30)","","2017-08-01","2018-07-27","3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide","2018-08-01"],["U2F","URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE","C15 H23 F N2 O16 P2","O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O","InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1","","2003-10-20","2011-06-04","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["U2G","URIDYLYL-2'-5'-PHOSPHO-GUANOSINE","C19 H24 N7 O13 P","O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N","InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1","PHOSPHORIC ACID-2'-[2'-DEOXY-URIDINE]ESTER-5'-GUANOSINE ESTER","1999-07-08","2020-06-17","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)",""],["B4K","~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide","C14 H12 N4 O3","CC(=O)Nc1n[nH]c2nc(ccc12)c3ccc(O)c(O)c3;CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O","InChI=1S/C14H12N4O3/c1-7(19)15-13-9-3-4-10(16-14(9)18-17-13)8-2-5-11(20)12(21)6-8/h2-6,20-21H,1H3,(H2,15,16,17,18,19)","","2017-09-08","2017-10-27","~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide","2017-11-01"],["U2H","~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine","C20 H24 N2 O","CCCN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12;CCCN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3","InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3","","2023-05-11","2024-02-02","~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine","2024-02-07"],["B4L","3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","C13 H19 N5 O","CN1CCC[CH](C1)NC2=Nc3cc[nH]c3C(=O)N2C;CN1CCCC(C1)NC2=Nc3cc[nH]c3C(=O)N2C","InChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1","","2019-01-11","2019-05-14","3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","2019-05-01"],["U2I","(2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide","C20 H19 N3 O2","O=C(Nc1cncc2ccccc21)N1Cc2ccccc2OC(C)C1;C[CH]1CN(Cc2ccccc2O1)C(=O)Nc3cncc4ccccc34;CC1CN(Cc2ccccc2O1)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H19N3O2/c1-14-12-23(13-16-7-3-5-9-19(16)25-14)20(24)22-18-11-21-10-15-6-2-4-8-17(15)18/h2-11,14H,12-13H2,1H3,(H,22,24)/t14-/m0/s1","","2022-08-02","2023-06-23","(2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide","2023-06-28"],["B4M","tris(bromanyl)methane","C H Br3","BrC(Br)Br;BrC(Br)Br;C(Br)(Br)Br","InChI=1S/CHBr3/c2-1(3)4/h1H","Bromoform","2012-12-11","2014-09-14","tribromomethane","2013-02-01"],["B4N","bis(4-nitrophenyl) hydrogen phosphate","C12 H9 N2 O8 P","[O-][N+](=O)c2ccc(OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)O)cc2;O[P](=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc2ccc(cc2)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]","InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)","","2008-06-20","2011-06-04","bis(4-nitrophenyl) hydrogen phosphate",""],["U2J","(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide","C23 H24 N10 O5 S","c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O;CNC(=O)c1csc(n1)[CH]2C[CH](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[CH]5CC(=O)N(C)C(=O)N5;CNC(=O)c1csc(n1)C2CC(CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)C5CC(=O)N(C(=O)N5)C","InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16-/m0/s1","","2020-04-09","2020-06-26","(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide","2020-07-01"],["U2K","1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone","C16 H15 N3 O2","CC(=O)n1cc(c2ccccc12)c3c(C)nn4CCOc34;Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C","InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3","","2021-01-19","2022-02-25","1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone","2022-03-02"],["B4O","6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one","C12 H17 N O2","CC1=CC(=O)N(O)C(=C1)C2CCCCC2;CC1=CC(=O)N(C(=C1)C2CCCCC2)O","InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3","","2019-01-11","2019-04-12","6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one","2019-04-17"],["U2L","5-METHYL-3'-O-METHOXYETHYL URIDINE-5'-MONOPHOSPHATE","C13 H21 N2 O10 P","O=C1NC(=O)N(C=C1C)C2OC(C(OCCOC)C2O)COP(=O)(O)O;COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OCCOC)O","InChI=1S/C13H21N2O10P/c1-7-5-15(13(18)14-11(7)17)12-9(16)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2004-10-29","2011-06-04","3'-O-(2-methoxyethyl)-5-methyluridine 5'-(dihydrogen phosphate)",""],["B4P","BIS(ADENOSINE)-5'-TETRAPHOSPHATE","C20 H28 N10 O19 P4","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N","InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2005-08-25","2011-06-04","[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["B4Q","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine","C25 H27 N3","CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C;CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3","InChI=1S/C25H27N3/c1-3-20-8-4-5-9-22(20)21-13-12-19(16-18(21)2)17-26-15-14-25-27-23-10-6-7-11-24(23)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)","CAM4739","2017-09-09","2021-03-01","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine","2018-02-28"],["U2M","(2S)-2-amino-7-sulfanylheptanoic acid","C7 H15 N O2 S","NC(C(O)=O)CCCCCS;N[CH](CCCCCS)C(O)=O;C(CCC(C(=O)O)N)CCS","InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1","","2020-04-09","2024-09-27","(2S)-2-amino-7-sulfanylheptanoic acid","2021-04-21"],["U2N","2'-AMINO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)","C9 H14 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(N)C2O;N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N","InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2006-11-16","2011-12-12","2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["B4R","{4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid","C28 H39 B N2 O9 S","O=S(=O)(N(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccccc3)CC(C)C)c4ccc(cc4)B(O)O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CCO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)B(O)O;B(c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(C(Cc2ccccc2)NC(=O)OC3CCOC4C3CCO4)O)(O)O","InChI=1S/C28H39BN2O9S/c1-19(2)17-31(41(36,37)22-10-8-21(9-11-22)29(34)35)18-25(32)24(16-20-6-4-3-5-7-20)30-28(33)40-26-13-15-39-27-23(26)12-14-38-27/h3-11,19,23-27,32,34-35H,12-18H2,1-2H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1","","2019-09-04","2019-10-04","{4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid","2019-10-09"],["U2O","(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide","C15 H17 Cl N4 O2","C[CH](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO;CC(Cc1c2cc(ccc2nc(n1)NCC=C)Cl)C(=O)NO","InChI=1S/C15H17ClN4O2/c1-3-6-17-15-18-12-5-4-10(16)8-11(12)13(19-15)7-9(2)14(21)20-22/h3-5,8-9,22H,1,6-7H2,2H3,(H,20,21)(H,17,18,19)/t9-/m1/s1","","2023-01-20","2024-01-26","(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide","2024-01-31"],["B4S","3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide","C13 H9 F4 N O2 S","O=S(=O)(N)c2ccc(c1ccc(c(F)c1)C(F)(F)F)cc2;N[S](=O)(=O)c1ccc(cc1)c2ccc(c(F)c2)C(F)(F)F;c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N","InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)","","2014-01-16","2015-01-16","3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide","2015-01-21"],["U2P","PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL]\nESTER","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO;OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OP(=O)(O)O","InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","URIDINE-2'-PHOSPHATE; 2'-URIDINEMONOPHOSPHATE","2003-02-26","2020-06-17","2'-uridylic acid",""],["B4T","mono-PEGylated sulfonatocalix[4]arene","C63 H94 O33 S4","O=S(O)(=O)c1cc3c(c(c1)Cc2cc(cc(c2O)Cc5c(c(Cc4c(c(C3)cc(S(=O)(O)=O)c4)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc(S(O)(=O)=O)c5)O)S(O)(=O)=O)O;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C63H94O33S4/c1-79-2-3-80-4-5-81-6-7-82-8-9-83-10-11-84-12-13-85-14-15-86-16-17-87-18-19-88-20-21-89-22-23-90-24-25-91-26-27-92-28-29-93-30-31-94-32-33-95-34-35-96-63-54-38-52-44-57(98(70,71)72)42-50(61(52)65)36-48-40-56(97(67,68)69)41-49(60(48)64)37-51-43-58(99(73,74)75)45-53(62(51)66)39-55(63)47-59(46-54)100(76,77)78/h40-47,64-66H,2-39H2,1H3,(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)","","2017-09-14","2018-10-05","25-[(2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-heptadecaoxadopentacontan-52-yl)oxy]-26,27,28-trihydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid","2018-10-10"],["U2Q","2-[(3-Nitro-2-pyridyl)thio]acetic acid","C7 H6 N2 O4 S","OC(=O)CSc1ncccc1[N+]([O-])=O;c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-]","InChI=1S/C7H6N2O4S/c10-6(11)4-14-7-5(9(12)13)2-1-3-8-7/h1-3H,4H2,(H,10,11)","2-[3-[bis(oxidanyl)amino]pyridin-2-yl]sulfanylethanoic acid; 2-(3-nitropyridin-2-yl)sulfanylacetic acid","2021-01-19","2022-02-25","2-(3-nitropyridin-2-yl)sulfanylethanoic acid","2022-03-02"],["B4U","6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one","C23 H31 F N8 O","C[CH](F)CN1C=Cc2nc(Nc3cnn(c3)C4CCN(C)CC4)nc(NC5(C)CC5)c2C1=O;CC(CN1C=Cc2c(c(nc(n2)Nc3cnn(c3)C4CCN(CC4)C)NC5(CC5)C)C1=O)F","InChI=1S/C23H31FN8O/c1-15(24)13-31-11-6-18-19(21(31)33)20(29-23(2)7-8-23)28-22(27-18)26-16-12-25-32(14-16)17-4-9-30(3)10-5-17/h6,11-12,14-15,17H,4-5,7-10,13H2,1-3H3,(H2,26,27,28,29)/t15-/m0/s1","","2021-12-07","2022-08-22","6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one","2022-05-04"],["U2R","(4-fluorophenoxy)acetic acid","C8 H7 F O3","O=C(O)COc1ccc(F)cc1;OC(=O)COc1ccc(F)cc1;c1cc(ccc1OCC(=O)O)F","InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)","","2023-08-29","2023-11-24","(4-fluorophenoxy)acetic acid","2023-11-29"],["B4V","1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide","C21 H22 N10 O3 S","c15CN(CCc1nc(NC(c4cccc(CNC(c2c(C)n(nn2)c3nonc3N)=O)c4)=O)s5)C;CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(c4C)c5nonc5N)c3)sc2C1;Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C","InChI=1S/C21H22N10O3S/c1-11-16(26-29-31(11)18-17(22)27-34-28-18)20(33)23-9-12-4-3-5-13(8-12)19(32)25-21-24-14-6-7-30(2)10-15(14)35-21/h3-5,8H,6-7,9-10H2,1-2H3,(H2,22,27)(H,23,33)(H,24,25,32)","","2017-08-01","2018-07-27","1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide","2018-08-01"],["U2S","1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione","C13 H19 N3 O6","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCOCC3;O[CH]1[CH](O)[CH](O[CH]1CN2CCOCC2)N3C=CC(=O)NC3=O;C1COCCN1CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C13H19N3O6/c17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(22-12)7-15-3-5-21-6-4-15/h1-2,8,10-12,18-19H,3-7H2,(H,14,17,20)/t8-,10-,11+,12+/m0/s1","","2008-06-10","2011-06-04","1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["B4W","2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL","C18 H18 N4 O","n1c(nc3c(c1NC2CCNC2)cccc3)c4ccccc4O;Oc1ccccc1c2nc(N[CH]3CCNC3)c4ccccc4n2;c1ccc2c(c1)c(nc(n2)c3ccccc3O)NC4CCNC4","InChI=1S/C18H18N4O/c23-16-8-4-2-6-14(16)18-21-15-7-3-1-5-13(15)17(22-18)20-12-9-10-19-11-12/h1-8,12,19,23H,9-11H2,(H,20,21,22)/t12-/m0/s1","","2010-07-26","2011-06-04","2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol",""],["U2T","3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide","C13 H16 N4 O2","CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN;CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN","InChI=1S/C13H16N4O2/c1-13(2,3)9-6-4-8(5-7-9)10-15-12(19-17-10)11(18)16-14/h4-7H,14H2,1-3H3,(H,16,18)","","2021-01-19","2022-02-25","3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide","2022-03-02"],["B4X","di-PEGylated sulfonatocalix[4]arene","C82 H132 O42 S4","COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)[S](O)(=O)=O)c3O)[S](O)(=O)=O;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C82H132O42S4/c1-97-3-5-99-7-9-101-11-13-103-15-17-105-19-21-107-23-25-109-27-29-111-31-33-113-35-37-115-39-41-117-43-45-119-47-49-121-51-53-123-81-71-55-67-59-75(125(85,86)87)61-69(79(67)83)57-73-65-78(128(94,95)96)66-74(58-70-62-76(126(88,89)90)60-68(80(70)84)56-72(81)64-77(63-71)127(91,92)93)82(73)124-54-52-122-50-48-120-46-44-118-42-40-116-38-36-114-34-32-112-30-28-110-26-24-108-22-20-106-18-16-104-14-12-102-10-8-100-6-4-98-2/h59-66,83-84H,3-58H2,1-2H3,(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)","","2017-09-14","2018-10-05","","2018-10-10"],["U2U","N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide","C23 H21 N3 O4 S","COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1;COc1ccccc1[S](=O)(=O)Nc2ccc(C)cc2Oc3ccc4c(N)nccc4c3;Cc1ccc(c(c1)Oc2ccc3c(c2)ccnc3N)NS(=O)(=O)c4ccccc4OC","InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)","","2022-08-02","2022-10-28","N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide","2022-11-02"],["B4Y","(2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide","C28 H30 N6 O2 S","n1c5c(sc1NC(c4cccc(C2CCCN2C(Nc3cc(C#N)ccc3)=O)c4)=O)CC(CC5)N(C)C;CN(C)[CH]1CCc2nc(NC(=O)c3cccc(c3)[CH]4CCCN4C(=O)Nc5cccc(c5)C#N)sc2C1;CN(C)C1CCc2c(sc(n2)NC(=O)c3cccc(c3)C4CCCN4C(=O)Nc5cccc(c5)C#N)C1","InChI=1S/C28H30N6O2S/c1-33(2)22-11-12-23-25(16-22)37-27(31-23)32-26(35)20-8-4-7-19(15-20)24-10-5-13-34(24)28(36)30-21-9-3-6-18(14-21)17-29/h3-4,6-9,14-15,22,24H,5,10-13,16H2,1-2H3,(H,30,36)(H,31,32,35)/t22-,24+/m0/s1","","2017-08-01","2018-07-27","(2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide","2018-08-01"],["B4Z","~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide","C18 H19 N3 O2 S","O=[S](=O)(NCCNCc1ccccc1)c2cccc3cnccc23;c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3","InChI=1S/C18H19N3O2S/c22-24(23,18-8-4-7-16-14-19-10-9-17(16)18)21-12-11-20-13-15-5-2-1-3-6-15/h1-10,14,20-21H,11-13H2","","2017-09-13","2018-10-05","~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide","2018-10-10"],["U2V","5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide","C23 H27 Cl F3 N5 O5 S","c1cc(NC(NCCCCC(NO)=O)=O)ccc1S(N3CCN(c2cc(cc(c2)C(F)(F)F)Cl)CC3)(=O)=O;ONC(=O)CCCCNC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)c3cc(Cl)cc(c3)C(F)(F)F;c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F","InChI=1S/C23H27ClF3N5O5S/c24-17-13-16(23(25,26)27)14-19(15-17)31-9-11-32(12-10-31)38(36,37)20-6-4-18(5-7-20)29-22(34)28-8-2-1-3-21(33)30-35/h4-7,13-15,35H,1-3,8-12H2,(H,30,33)(H2,28,29,34)","","2020-04-10","2020-07-24","5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide","2020-07-29"],["B50","4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide","C29 H37 Cl N4 O3","Clc1ccc(cc1)c3c(c2ccccc2)c(n(c3)CCC(O)CO)C(=O)NCCCN4CCN(CC4)C;CN1CCN(CCCNC(=O)c2n(CC[CH](O)CO)cc(c3ccc(Cl)cc3)c2c4ccccc4)CC1;CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CCC(CO)O)c3ccc(cc3)Cl)c4ccccc4","InChI=1S/C29H37ClN4O3/c1-32-16-18-33(19-17-32)14-5-13-31-29(37)28-27(23-6-3-2-4-7-23)26(22-8-10-24(30)11-9-22)20-34(28)15-12-25(36)21-35/h2-4,6-11,20,25,35-36H,5,12-19,21H2,1H3,(H,31,37)/t25-/m0/s1","","2011-07-07","2012-06-22","4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide",""],["U2W","4,5-dichloro-6-nitropyridazin-3(2H)-one","C4 H Cl2 N3 O3","ClC1=C(Cl)C(=O)NN=C1[N+](=O)[O-];[O-][N+](=O)C1=NNC(=O)C(=C1Cl)Cl;C1(=C(C(=NNC1=O)[N+](=O)[O-])Cl)Cl","InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)","","2021-01-19","2026-04-06","4,5-dichloro-6-nitropyridazin-3(2H)-one","2022-03-02"],["U2X","O-(cyclohexylmethyl)-L-tyrosine","C16 H23 N O3","O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2;N[CH](Cc1ccc(OCC2CCCCC2)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OCC2CCCCC2","InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1","","2012-01-12","2024-09-27","O-(cyclohexylmethyl)-L-tyrosine",""],["B51","NICKEL/IRON/SULFUR CLUSTER","FE3 NI S4","S|12[Fe]|3S|4[Fe]|1S5|[Fe]2S|3[Ni]|45;[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45","InChI=1S/3Fe.Ni.4S","","2007-11-07","2019-01-16","",""],["B52","(2R)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid","C10 H11 N5 O4","O=C(O)C(C1=NN(C=2N=C(NC(=O)C=2C1=O)N)C)C;C[CH](C(O)=O)C1=NN(C)C2=C(C(=O)NC(=N2)N)C1=O;CC(C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O","InChI=1S/C10H11N5O4/c1-3(9(18)19)5-6(16)4-7(15(2)14-5)12-10(11)13-8(4)17/h3H,1-2H3,(H,18,19)(H3,11,12,13,17)/t3-/m1/s1","","2009-04-24","2011-06-04","(2R)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid",""],["U2Y","{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid","C10 H14 B N O3","N(C)(CC)C(=O)c1ccc(B(O)O)cc1;CCN(C)C(=O)c1ccc(cc1)B(O)O;B(c1ccc(cc1)C(=O)N(C)CC)(O)O","InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3","","2020-04-10","2024-09-27","{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid","2020-04-22"],["U2Z","[1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol","C12 H15 N3 O","n1c(cc(n1c2c(cccc2)CN)C)CO;Cc1cc(CO)nn1c2ccccc2CN;Cc1cc(nn1c2ccccc2CN)CO","InChI=1S/C12H15N3O/c1-9-6-11(8-16)14-15(9)12-5-3-2-4-10(12)7-13/h2-6,16H,7-8,13H2,1H3","","2013-12-04","2014-04-29","{1-[2-(aminomethyl)phenyl]-5-methyl-1H-pyrazol-3-yl}methanol","2013-12-11"],["B53","2,6-diamino-5-nitrosopyrimidin-4(3H)-one","C4 H5 N5 O2","O=C1C(N=O)=C(N=C(N)N1)N;NC1=NC(=C(N=O)C(=O)N1)N;C1(=C(N=C(NC1=O)N)N)N=O","InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)","","2009-04-24","2011-06-04","2,6-diamino-5-nitrosopyrimidin-4(3H)-one",""],["U30","3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile","C23 H22 N8 O","Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N;Cc1c(cccc1c2cc(nc(n2)N)c3cn(nn3)Cc4cccc(n4)C(C)(C)O)C#N","InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)","","2023-01-23","2023-05-26","3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile","2023-05-31"],["B54","4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid","C14 H15 N5 O5","O=C1C(N=O)=C(N=C(N)N1)NCCCOc2ccc(C(=O)O)cc2;NC1=NC(=C(N=O)C(=O)N1)NCCCOc2ccc(cc2)C(O)=O;c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O","InChI=1S/C14H15N5O5/c15-14-17-11(10(19-23)12(20)18-14)16-6-1-7-24-9-4-2-8(3-5-9)13(21)22/h2-5H,1,6-7H2,(H,21,22)(H4,15,16,17,18,20)","","2009-05-05","2011-06-04","4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid",""],["U31","2'-O-3-AMINOPROPYL 2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C12 H20 N3 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2OCCCN)COP(=O)(O)O;NCCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCCN","InChI=1S/C12H20N3O9P/c13-3-1-5-22-10-9(17)7(6-23-25(19,20)21)24-11(10)15-4-2-8(16)14-12(15)18/h2,4,7,9-11,17H,1,3,5-6,13H2,(H,14,16,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1","","1999-12-02","2011-06-04","2'-O-(3-aminopropyl)uridine 5'-(dihydrogen phosphate)",""],["B55","2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one","C5 H5 N5 O S","O=C1c2nc(S)nc2N=C(N1)N;NC1=Nc2[nH]c(S)nc2C(=O)N1;c12c([nH]c(n1)S)N=C(NC2=O)N","InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)","2-amino-8-mercapto-1H-purin-6(9H)-one","2009-04-24","2020-06-17","2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one",""],["U32","4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE","C12 H15 N3 O2 S2","O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2;CC(C)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1;CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)","PNU-230032","2005-06-06","2020-06-17","4-{[5-(1-methylethyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide",""],["B56","2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid","C8 H9 N5 O3","O=C1NC(=NC=2N(CC(=NC1=2)C(=O)O)C)N;CN1CC(=NC2=C1N=C(N)NC2=O)C(O)=O;CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O","InChI=1S/C8H9N5O3/c1-13-2-3(7(15)16)10-4-5(13)11-8(9)12-6(4)14/h2H2,1H3,(H,15,16)(H3,9,11,12,14)","","2009-05-05","2011-06-04","2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid",""],["U33","5-BROMO-2'-DEOXY URIDINE","C9 H11 Br N2 O5","BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO;OC[CH]1O[CH](C[CH]1O)N2C=C(Br)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O","InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1","","1993-07-15","2011-06-04","5-bromo-2'-deoxyuridine",""],["B57","2,6-diamino-5-nitropyrimidin-4(3H)-one","C4 H5 N5 O3","O=C1C([N+]([O-])=O)=C(N=C(N)N1)N;NC1=NC(=C(C(=O)N1)[N+]([O-])=O)N;C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-]","InChI=1S/C4H5N5O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)","","2009-04-24","2011-06-04","2,6-diamino-5-nitropyrimidin-4(3H)-one",""],["B58","1H-imidazo[4,5-d]pyridazine-4,7-diamine","C5 H6 N6","n1nc(c2ncnc2c1N)N;Nc1nnc(N)c2nc[nH]c12;c1[nH]c2c(n1)c(nnc2N)N","InChI=1S/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9)","","2009-04-24","2011-06-04","1H-imidazo[4,5-d]pyridazine-4,7-diamine",""],["U34","URIDINE 5'-MONOMETHYLPHOSPHATE","C10 H15 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CC(O)P(=O)(O)O;O[CH](C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)[P](O)(O)=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CC(O)P(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c13-5-1-2-12(10(17)11-5)9-8(16)7(15)4(21-9)3-6(14)22(18,19)20/h1-2,4,6-9,14-16H,3H2,(H,11,13,17)(H2,18,19,20)/t4-,6+,7-,8-,9-/m1/s1","","2000-04-17","2011-06-04","1-[(6S)-5-deoxy-6-C-phosphono-beta-D-ribo-hexofuranosyl]pyrimidine-2,4(1H,3H)-dione",""],["U35","(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","C24 H29 N5 O3","CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[CH](C(C)C)C(O)=O;CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)C(C(C)C)C(=O)O","InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1","(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; Diovan; Tareg; Provas; Exforge; N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine","2021-01-19","2022-02-25","(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","2022-03-02"],["B59","1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde","C9 H8 N4 O4","O=C1N(C(=O)N(C=2NC(=O)C(=NC1=2)C=O)C)C;CN1C(=O)N(C)C2=C(N=C(C=O)C(=O)N2)C1=O;CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O","InChI=1S/C9H8N4O4/c1-12-6-5(8(16)13(2)9(12)17)10-4(3-14)7(15)11-6/h3H,1-2H3,(H,11,15)","","2009-04-24","2024-09-27","1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde",""],["B5A","1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C11 H16 N6","n1c(c2c(nc1)n(nc2)CC3CCNCC3)N;Nc1ncnc2n(CC3CCNCC3)ncc12;c1c2c(ncnc2n(n1)CC3CCNCC3)N","InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)","","2011-12-22","2012-03-09","1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["U36","2'-O-METHYOXYETHYL-URIDINE-5'-MONOPHOSPHATE","C12 H19 N2 O10 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCCOC)C2O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;COCCOC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C12H19N2O10P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)14-3-2-8(15)13-12(14)17/h2-3,7,9-11,16H,4-6H2,1H3,(H,13,15,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1","","1999-05-12","2013-02-19","2'-O-(2-methoxyethyl)uridine 5'-(dihydrogen phosphate)",""],["U37","URIDINE 5'-MONOTHIOPHOSPHATE","C9 H13 N2 O8 P S","O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)O","InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1","","1998-01-07","2011-06-04","5'-O-thiophosphonouridine",""],["B5B","1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole","C19 H24 N4","CC(C)Cc1n(CCCn2ccnc2)cnc1c3ccccc3;CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3","InChI=1S/C19H24N4/c1-16(2)13-18-19(17-7-4-3-5-8-17)21-15-23(18)11-6-10-22-12-9-20-14-22/h3-5,7-9,12,14-16H,6,10-11,13H2,1-2H3","","2017-09-13","2018-10-05","1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole","2018-10-10"],["U38","Estradiol-17beta-glucuronide","C24 H32 O8","C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O;CC12CCC3c4ccc(cc4CCC3C1CCC2OC5C(C(C(C(O5)C(=O)O)O)O)O)O","InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1","","2023-05-12","2023-06-02","(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2023-06-07"],["B5C","2-oxo-2H-1,3-benzoxathiol-5-yl acetate","C9 H6 O4 S","C2(Sc1cc(OC(C)=O)ccc1O2)=O;CC(=O)Oc1ccc2OC(=O)Sc2c1;CC(=O)Oc1ccc2c(c1)SC(=O)O2","InChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3","","2019-01-15","2019-12-20","2-oxo-2H-1,3-benzoxathiol-5-yl acetate","2019-12-25"],["B5D","(3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","C8 H9 Cl N2 O2 S","Clc1ccc2c(c1)S(=O)(=O)NC(N2)C;C[CH]1Nc2ccc(Cl)cc2[S](=O)(=O)N1;CC1Nc2ccc(cc2S(=O)(=O)N1)Cl","InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3/t5-/m0/s1","","2009-08-07","2011-06-04","(3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",""],["U39","2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide","C18 H20 N2 O4 S","O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1;CCOc1ccccc1NC(=O)c2ccccc2N[S](=O)(=O)C3CC3;CCOc1ccccc1NC(=O)c2ccccc2NS(=O)(=O)C3CC3","InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)","","2022-08-02","2022-10-28","2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide","2022-11-02"],["U3A","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide","C20 H17 F3 N4 O4","C=2(NC(c1ccccc1C(F)(F)F)=NC(C=2O)=O)C(NCCc3ccnc(c3)OC)=O;COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3ccccc3C(F)(F)F)ccn1;COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O","InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-4-2-3-5-13(12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30)","","2020-04-10","2021-04-09","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide","2021-04-14"],["B5E","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine","C25 H24 F3 N3","CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C(F)(F)F;CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3","InChI=1S/C25H24F3N3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25(26,27)28)16-29-14-13-24-30-22-9-5-6-10-23(22)31-24/h3-12,15,29H,2,13-14,16H2,1H3,(H,30,31)","","2017-09-15","2018-02-23","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine","2018-02-28"],["U3B","Omadacycline","C29 H40 N4 O7","CN(C)[CH]1[CH]2C[CH]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=C3C(=O)[C]2(O)C(=C(C(N)=O)C1=O)O)O)N(C)C;CC(C)(C)CNCc1cc(c2c(c1O)C(=C3C(C2)CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)N)N(C)C)O)N(C)C","InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1","Omadacycline; (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide","2023-01-24","2023-07-28","(4~{S},4~{a}~{S},5~{a}~{R},12~{a}~{R})-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12~{a}-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-tetracene-2-carboxamide","2023-08-02"],["B5F","BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE","C12 H15 O20 P5","O=P(O)(O)Oc2cc(c1c(OP(=O)(O)O)cc(OP(=O)(O)O)cc1OP(=O)(O)O)cc(OP(=O)(O)O)c2;O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(c(O[P](O)(O)=O)c1)c2cc(O[P](O)(O)=O)cc(O[P](O)(O)=O)c2;c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C12H15O20P5/c13-33(14,15)28-7-1-6(2-8(3-7)29-34(16,17)18)12-10(31-36(22,23)24)4-9(30-35(19,20)21)5-11(12)32-37(25,26)27/h1-5H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)","","2011-11-27","2014-09-05","biphenyl-2,3',4,5',6-pentayl pentakis[dihydrogen (phosphate)]",""],["U3C","N-(6-methylpyridin-2-yl)-D-prolinamide","C11 H15 N3 O","O=C(Nc1cccc(C)n1)C1CCCN1;Cc1cccc(NC(=O)[CH]2CCCN2)n1;Cc1cccc(n1)NC(=O)C2CCCN2","InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1","","2023-08-29","2023-11-24","N-(6-methylpyridin-2-yl)-D-prolinamide","2023-11-29"],["B5G","(2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide","C26 H26 N6 O2 S","C1Cc5c(CN1C)sc(NC(c2cccc(c2)C4CCCN4C(Nc3cc(C#N)ccc3)=O)=O)n5;CN1CCc2nc(NC(=O)c3cccc(c3)[CH]4CCCN4C(=O)Nc5cccc(c5)C#N)sc2C1;CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)C4CCCN4C(=O)Nc5cccc(c5)C#N)C1","InChI=1S/C26H26N6O2S/c1-31-12-10-21-23(16-31)35-25(29-21)30-24(33)19-7-3-6-18(14-19)22-9-4-11-32(22)26(34)28-20-8-2-5-17(13-20)15-27/h2-3,5-8,13-14,22H,4,9-12,16H2,1H3,(H,28,34)(H,29,30,33)/t22-/m1/s1","","2017-08-01","2018-07-27","(2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide","2018-08-01"],["U3D","[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate","C46 H88 N O8 P","C(C=[C@H]CCCCCCCC)CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C;CCCCCCCCC=CCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20-22,24,44H,6-19,23,25-43H2,1-5H3/b22-20-,24-21-/t44-/m1/s1","[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-icos-11-enoate","2020-04-13","2021-03-01","(2R)-3-{[(11Z)-icos-11-enoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate","2020-07-01"],["B5H","(5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione","C10 H7 Br N2 O2","O=C2NC(=Cc1cc(Br)ccc1)/C(=O)N2;Brc1cccc(c1)C=C2NC(=O)NC2=O;c1cc(cc(c1)Br)C=C2C(=O)NC(=O)N2","InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-","","2014-05-01","2014-06-27","(5Z)-5-(3-bromobenzylidene)imidazolidine-2,4-dione","2014-07-02"],["U3E","2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide","C21 H18 N4 O2","O=C(Nc1cc(ccn1)C(=O)Nc1cc(cnc1)c1ccccc1)C1CC1;O=C(Nc1cc(ccn1)C(=O)Nc2cncc(c2)c3ccccc3)C4CC4;c1ccc(cc1)c2cc(cnc2)NC(=O)c3ccnc(c3)NC(=O)C4CC4","InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-11-16(8-9-23-19)21(27)24-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26)","","2022-08-03","2023-03-17","2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide","2023-03-22"],["B5I","2-propyl-L-norvaline","C8 H17 N O2","CCCC(N)(CCC)C(=O)O;CCCC(N)(CCC)C(O)=O;CCCC(CCC)(C(=O)O)N","InChI=1S/C8H17NO2/c1-3-5-8(9,6-4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)","","2022-09-21","2024-09-27","2-propyl-L-norvaline","2024-09-04"],["B5J","methyltriphenylphosphonium","C19 H18 P","C[P+](c1ccccc1)(c1ccccc1)c1ccccc1;C[P+](c1ccccc1)(c2ccccc2)c3ccccc3;C[P+](c1ccccc1)(c2ccccc2)c3ccccc3","InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1","","2021-11-12","2022-02-25","methyl(triphenyl)phosphanium","2022-03-02"],["U3F","4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide","C29 H27 Cl F4 N2 O4","NC(=O)c1ccc(OC(F)F)c(F)c1c2c(Cl)c(F)cc3O[C](CN[CH]4CC[CH](O)CC4)(Cc23)c5ccccc5;c1ccc(cc1)C2(Cc3c(cc(c(c3c4c(ccc(c4F)OC(F)F)C(=O)N)Cl)F)O2)CNC5CCC(CC5)O","InChI=1S/C29H27ClF4N2O4/c30-25-20(31)12-22-19(23(25)24-18(27(35)38)10-11-21(26(24)32)39-28(33)34)13-29(40-22,15-4-2-1-3-5-15)14-36-16-6-8-17(37)9-7-16/h1-5,10-12,16-17,28,36-37H,6-9,13-14H2,(H2,35,38)/t16-,17-,29-/m1/s1","","2023-01-24","2023-04-07","4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide","2023-04-12"],["U3G","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","C43 H76 N O8 P","[C@H](=CCCCCCCCC)CCCCCCCC(=O)OC(COC(CCCC=C/CC=[C@H]CC=[C@H]C[C@H]=[C@H]CCCCC)=O)COP(O)(=O)OCCN;CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OCCN","InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1","","2020-04-13","2020-06-26","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","2020-07-01"],["B5K","3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid","C23 H21 Cl F3 N3 O4","CC(C)(C)NC(=O)[CH](N(Cc1cc(F)c(F)c(F)c1)C=O)c2c([nH]c3cc(Cl)ccc23)C(O)=O;CC(C)(C)NC(=O)C(c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O","InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-14(25)18(27)15(26)7-11)17-13-5-4-12(24)8-16(13)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)/t20-/m1/s1","","2017-09-15","2019-02-08","3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid","2019-02-13"],["U3H","3'-DEOXY-URIDINE 5'-TRIPHOSPHATE","C9 H17 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C=CC(=O)NC1O)C(O)C2;O[CH]1C[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)N[CH]2O;C1C(OC(C1O)N2C=CC(=O)NC2O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C9H17N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8-9,12,14H,3-4H2,(H,10,13)(H,18,19)(H,20,21)(H2,15,16,17)/t5-,6+,8+,9+/m0/s1","","2002-10-29","2011-06-04","(2R)-1-{3-deoxy-5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-2-hydroxy-2,3-dihydropyrimidin-4(1H)-one",""],["B5L","N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium","C13 H38 N5","C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+];[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+];C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]","InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4","N4-bis(aminopropyl)spermidine","2019-01-16","2021-03-01","N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium","2019-06-26"],["U3I","(3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione","C22 H29 N3 O4","CCN1CCCCC1C(C)Oc1cc2CN(C3CCC(=O)NC3=O)C(=O)c2cc1;CCN1CCCC[CH]1[CH](C)Oc2ccc3C(=O)N(Cc3c2)[CH]4CCC(=O)NC4=O;CCN1CCCCC1C(C)Oc2ccc3c(c2)CN(C3=O)C4CCC(=O)NC4=O","InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19+/m1/s1","","2023-08-29","2024-07-05","(3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione","2024-07-10"],["B5M","9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine","C18 H20 N5 O9 P","C2(COP(OC(=O)c1c(C)cccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34;Cc1cccc(O)c1C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;Cc1cccc(c1C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C18H20N5O9P/c1-8-3-2-4-9(24)11(8)18(27)32-33(28,29)30-5-10-13(25)14(26)17(31-10)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,10,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t10-,13+,14+,17+/m0/s1","","2017-08-01","2018-05-18","9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine","2018-05-23"],["B5N","[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone","C19 H21 F N2 O","Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(F)cc3;Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F","InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3","","2017-09-17","2018-04-20","[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone","2018-04-25"],["U3J","xanthosine diphosphate","C10 H14 N4 O12 P2","N1C(=O)c2ncn(c2NC1=O)C3C(O)C(C(COP(O)(=O)OP(=O)(O)O)O3)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O","InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5+,6+,9-/m1/s1","","2020-04-13","2020-08-28","9-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-D-lyxofuranosyl}-3,9-dihydro-1H-purine-2,6-dione","2020-09-02"],["B5O","(6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one","C22 H20 F3 N3 O2","CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cc(CO)ccc4F)c2C1;CC(C)C1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1","InChI=1S/C22H20F3N3O2/c1-11(2)13-6-19-22(20(30)7-13)26-27-28(19)14-8-17(24)21(18(25)9-14)15-5-12(10-29)3-4-16(15)23/h3-5,8-9,11,13,29H,6-7,10H2,1-2H3/t13-/m1/s1","","2019-01-17","2019-08-16","(6~{R})-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one","2019-08-21"],["U3K","~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine","C14 H17 N O","CN(Cc1oc(C)cc1)Cc2ccccc2;Cc1ccc(o1)CN(C)Cc2ccccc2","InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3","","2021-01-19","2022-01-07","~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine","2022-01-12"],["U3L","(2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one","C8 H8 Br N3 O2","OC1=C(NC(Br)=CC1=O)C1=NCCN1;OC1=C(NC(=CC1=O)Br)C2=NCCN2;C1CN=C(N1)C2=C(C(=O)C=C(N2)Br)O","InChI=1S/C8H8BrN3O2/c9-5-3-4(13)7(14)6(12-5)8-10-1-2-11-8/h3,14H,1-2H2,(H,10,11)(H,12,13)","","2022-08-03","2022-12-16","(2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one","2022-12-21"],["B5P","N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","C19 H22 N6 O6 S2","O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)N=C(N2)C4=C(O)n3ccnc3N(C4=O)CCC(C)C)C;CC(C)CCN1C(=O)C(=C(O)n2ccnc12)C3=N[S](=O)(=O)c4cc(N[S](C)(=O)=O)ccc4N3;CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O","InChI=1S/C19H22N6O6S2/c1-11(2)6-8-24-17(26)15(18(27)25-9-7-20-19(24)25)16-21-13-5-4-12(22-32(3,28)29)10-14(13)33(30,31)23-16/h4-5,7,9-11,22,27H,6,8H2,1-3H3,(H,21,23)","","2009-05-06","2011-06-04","N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["B5Q","[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone","C25 H23 N5 O","CNCc1ccccc1c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2;CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4","InChI=1S/C25H23N5O/c1-27-13-17-6-4-5-9-20(17)16-10-11-22-21(12-16)23(29-25(26)28-22)24(31)30-14-18-7-2-3-8-19(18)15-30/h2-12,27H,13-15H2,1H3,(H2,26,28,29)","","2017-09-18","2018-05-25","[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone","2018-05-30"],["U3M","3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid","C25 H16 N2 O2","OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4;c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5","InChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29)","","2017-07-27","2018-01-05","3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid","2018-01-10"],["U3N","1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea","C13 H12 F N3 O2 S Se","N[S](=O)(=O)c1ccc(NC(=[Se])Nc2ccc(F)cc2)cc1;c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C13H12FN3O2SSe/c14-9-1-3-10(4-2-9)16-13(21)17-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21)","","2021-01-19","2022-02-25","1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea","2022-03-02"],["B5R","(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","C18 H13 Cl F4 N2 O3","Fc2cc(OCC(O)(C(=O)Nc1cc(c(C#N)cc1)C(F)(F)F)C)ccc2Cl;C[C](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F;CC(COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O","InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1","","2007-11-28","2011-06-04","(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide",""],["U3O","(2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid","C16 H11 Cl2 F3 O3 S","C[CH](Sc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1Cl)C(O)=O;CC(C(=O)O)Sc1cc(ccc1Cl)Oc2ccc(cc2Cl)C(F)(F)F","InChI=1S/C16H11Cl2F3O3S/c1-8(15(22)23)25-14-7-10(3-4-11(14)17)24-13-5-2-9(6-12(13)18)16(19,20)21/h2-8H,1H3,(H,22,23)/t8-/m1/s1","","2023-01-24","2023-04-07","(2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid","2023-04-12"],["B5S","3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium","C23 H26 N3 O4","O=C(Nc1ccccc1)c2ccc(cc2OCCC[NH3+])Nc3cc(O)cc(OC)c3;COc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCC[NH3+])c2)c1;COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3","InChI=1S/C23H25N3O4/c1-29-20-13-18(12-19(27)15-20)25-17-8-9-21(22(14-17)30-11-5-10-24)23(28)26-16-6-3-2-4-7-16/h2-4,6-9,12-15,25,27H,5,10-11,24H2,1H3,(H,26,28)/p+1","","2014-05-21","2014-10-03","3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium","2014-10-08"],["U3P","3'-URIDINEMONOPHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)O","InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","3'-uridylic acid",""],["B5T","4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide","C18 H14 N4 O2 S","N[S](=O)(=O)c1ccc(cc1)c2cnc3[nH]cc(c4cccnc4)c3c2;c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N","InChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24)","","2017-09-19","2018-08-24","4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide","2018-08-29"],["U3Q","1-Naphthalenepentanoic acid","C15 H16 O2","OC(=O)CCCCc1cccc2ccccc12;c1ccc2c(c1)cccc2CCCCC(=O)O","InChI=1S/C15H16O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,5-6,8-10H,2,4,7,11H2,(H,16,17)","5-naphthalen-1-ylpentanoic acid","2021-01-19","2022-02-25","5-naphthalen-1-ylpentanoic acid","2022-03-02"],["B5U","6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide","C27 H34 N6 O2","O=C(N)c2nc(c1ccc(c(c1)C)C)cnc2Nc4ccc(OCCCN3CCN(CC3)C)cc4;CN1CCN(CCCOc2ccc(Nc3ncc(nc3C(N)=O)c4ccc(C)c(C)c4)cc2)CC1;Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C","InChI=1S/C27H34N6O2/c1-19-5-6-21(17-20(19)2)24-18-29-27(25(31-24)26(28)34)30-22-7-9-23(10-8-22)35-16-4-11-33-14-12-32(3)13-15-33/h5-10,17-18H,4,11-16H2,1-3H3,(H2,28,34)(H,29,30)","","2012-08-09","2014-09-05","6-(3,4-dimethylphenyl)-3-({4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrazine-2-carboxamide","2013-01-18"],["U3R","(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid","C13 H15 N O3","OC(=O)C1CN(CC1c1ccccc1)C(=O)C;CC(=O)N1C[CH]([CH](C1)c2ccccc2)C(O)=O;CC(=O)N1CC(C(C1)C(=O)O)c2ccccc2","InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1","","2023-08-29","2023-11-24","(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid","2023-11-29"],["B5V","9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine","C17 H18 N5 O9 P","C2(COP(OC(=O)c1ccccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)c4ccccc4O)[CH](O)[CH]3O;c1ccc(c(c1)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12+,13+,16+/m0/s1","","2017-08-01","2018-05-18","9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine","2018-05-23"],["B5W","(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium","C22 H23 Cl N","Clc1cc(C[NH2+]CCCc2ccccc2)ccc1c3ccccc3;c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3","InChI=1S/C22H22ClN/c23-22-16-19(13-14-21(22)20-11-5-2-6-12-20)17-24-15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-14,16,24H,7,10,15,17H2/p+1","","2017-09-19","2018-02-23","(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium","2018-02-28"],["U3S","1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione","C14 H21 N3 O5","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCCCC3;O[CH]1[CH](O)[CH](O[CH]1CN2CCCCC2)N3C=CC(=O)NC3=O;C1CCN(CC1)CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/t9-,11-,12+,13+/m0/s1","","2008-06-10","2011-06-04","1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["U3T","6-(2-prop-2-ynoxyphenyl)hexanoic acid","C15 H18 O3","OC(=O)CCCCCc1ccccc1OCC#C;C#CCOc1ccccc1CCCCCC(=O)O","InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17)","Benzenehexanoic acid, 2-(2-propyn-1-yloxy)-; 6-{2-[(Prop-2-yn-1-yl)oxy]phenyl}hexanoic acid","2021-01-19","2022-02-25","6-(2-prop-2-ynoxyphenyl)hexanoic acid","2022-03-02"],["B5X","(6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one","C23 H24 F2 N4 O","CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cccc(c4)N(C)C)c2C1;CC(C)C1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1","InChI=1S/C23H24F2N4O/c1-13(2)15-9-20-23(21(30)10-15)26-27-29(20)17-11-18(24)22(19(25)12-17)14-6-5-7-16(8-14)28(3)4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m1/s1","","2019-01-17","2019-08-16","(6~{R})-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one","2019-08-21"],["U3U","6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide","C7 H7 Br N2 O4","OC1=C(NC(Br)=CC1=O)C(=O)NOC;CONC(=O)C1=C(O)C(=O)C=C(Br)N1;CONC(=O)C1=C(C(=O)C=C(N1)Br)O","InChI=1S/C7H7BrN2O4/c1-14-10-7(13)5-6(12)3(11)2-4(8)9-5/h2,12H,1H3,(H,9,11)(H,10,13)","","2022-08-03","2022-12-16","6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide","2022-12-21"],["B5Y","9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine","C18 H20 N5 O9 P","C2(COP(OC(=O)c1cc(C)ccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(ncnc34)N;Cc1ccc(O)c(c1)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;Cc1ccc(c(c1)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C18H20N5O9P/c1-8-2-3-10(24)9(4-8)18(27)32-33(28,29)30-5-11-13(25)14(26)17(31-11)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,11,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t11-,13+,14+,17+/m0/s1","","2017-08-01","2018-05-18","9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine","2018-05-23"],["U3V","(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide","C24 H38 N6 O4","c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O;CNC(=O)[CH](CC1CCN(CC1)C(=O)c2cc(nn2C)C(C)(C)C)NC(=O)[CH]3CCCC(=O)N3;CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)CC(C(=O)NC)NC(=O)C3CCCC(=O)N3","InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1","","2020-04-15","2020-06-26","(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide","2020-07-01"],["B5Z","~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide","C23 H26 N6 O3 S","O=C(NCCN1CCOCC1)Nc2cccc(c2)c3ccc4nc(NC(=O)C5CC5)sc4n3;c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5","InChI=1S/C23H26N6O3S/c30-20(15-4-5-15)28-23-27-19-7-6-18(26-21(19)33-23)16-2-1-3-17(14-16)25-22(31)24-8-9-29-10-12-32-13-11-29/h1-3,6-7,14-15H,4-5,8-13H2,(H2,24,25,31)(H,27,28,30)","","2017-09-19","2018-08-24","~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide","2018-08-29"],["B60","2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one","C7 H9 N5 O","O=C1C=2N=CCN(C=2N=C(N1)N)C;CN1CC=NC2=C1N=C(N)NC2=O;CN1CC=NC2=C1N=C(NC2=O)N","InChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)","","2009-04-23","2011-06-04","2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one",""],["U3W","2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione","C10 H10 N2 O2 S","CN1SC(=O)N(Cc2ccccc2)C1=O;CN1C(=O)N(C(=O)S1)Cc2ccccc2","InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3","","2021-01-20","2022-02-25","2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione","2022-03-02"],["U3X","4-[(cyclohexylmethyl)amino]-L-phenylalanine","C16 H24 N2 O2","O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2;N[CH](Cc1ccc(NCC2CCCCC2)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)NCC2CCCCC2","InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1","","2013-05-06","2024-09-27","4-[(cyclohexylmethyl)amino]-L-phenylalanine","2013-06-19"],["B61","2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one","C11 H17 N5 O2","O=C1NC(=NC=2N(CC(=NC1=2)CC(O)(C)C)C)N;CN1CC(=NC2=C1N=C(N)NC2=O)CC(C)(C)O;CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O","InChI=1S/C11H17N5O2/c1-11(2,18)4-6-5-16(3)8-7(13-6)9(17)15-10(12)14-8/h18H,4-5H2,1-3H3,(H3,12,14,15,17)","","2009-04-23","2011-06-04","2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one",""],["U3Y","(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide","C23 H24 N10 O5 S","c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O;CNC(=O)c1csc(n1)[CH]2C[CH](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[CH]5CC(=O)N(C)C(=O)N5;CNC(=O)c1csc(n1)C2CC(CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)C5CC(=O)N(C(=O)N5)C","InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1","","2020-04-15","2020-06-26","(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide","2020-07-01"],["B62","(6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one","C7 H11 N5 O","O=C1C=2NC(CNC=2N=C(N1)N)C;C[CH]1CNC2=C(N1)C(=O)NC(=N2)N;CC1CNC2=C(N1)C(=O)NC(=N2)N","InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m1/s1","","2009-04-24","2011-06-04","(6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one",""],["U3Z","(3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one","C31 H30 Cl N O4","CC(C)(O)c1ccc2c(c1)C(=O)N(Cc3ccc(cc3)C#C)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5;CC(C)(c1ccc2c(c1)C(=O)N(C2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O","InChI=1S/C31H30ClNO4/c1-4-21-5-7-22(8-6-21)18-33-28(35)26-17-24(29(2,3)36)11-14-27(26)31(33,23-9-12-25(32)13-10-23)37-20-30(19-34)15-16-30/h1,5-14,17,34,36H,15-16,18-20H2,2-3H3/t31-/m1/s1","","2021-01-20","2021-04-02","(3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one","2021-04-07"],["B63","4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid","C15 H16 N6 O3","O=C(O)c1ccc(cc1)NCCC2=NC=3C(=O)NC(=NC=3NC2)N;NC1=NC2=C(N=C(CCNc3ccc(cc3)C(O)=O)CN2)C(=O)N1;c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N","InChI=1S/C15H16N6O3/c16-15-20-12-11(13(22)21-15)19-10(7-18-12)5-6-17-9-3-1-8(2-4-9)14(23)24/h1-4,17H,5-7H2,(H,23,24)(H4,16,18,20,21,22)","","2009-04-24","2011-06-04","4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid",""],["U40","8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","C29 H30 N4 O3","O=C1NC(=O)C2(CCN(CC2)C(=O)c3cc(nc4ccccc34)c5ccc(cc5)C6CCCCC6)N1;c1ccc2c(c1)c(cc(n2)c3ccc(cc3)C4CCCCC4)C(=O)N5CCC6(CC5)C(=O)NC(=O)N6","InChI=1S/C29H30N4O3/c34-26(33-16-14-29(15-17-33)27(35)31-28(36)32-29)23-18-25(30-24-9-5-4-8-22(23)24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h4-5,8-13,18-19H,1-3,6-7,14-17H2,(H2,31,32,35,36)","","2023-01-24","2023-09-22","8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","2023-09-27"],["B64","4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid","C14 H11 N O5 S2","O=C(OC)c1sc(cc1NC(=O)/C=CC(=O)O)c2sccc2;COC(=O)c1sc(cc1NC(=O)C=CC(O)=O)c2sccc2;COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O","InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4-","(2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid","2009-05-29","2020-06-17","(2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid",""],["B65","(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid","C16 H19 O7 P S","O=S(=O)(O)C(P(=O)(O)O)CCCc2cc(Oc1ccccc1)ccc2;O[P](O)(=O)[CH](CCCc1cccc(Oc2ccccc2)c1)[S](O)(=O)=O;c1ccc(cc1)Oc2cccc(c2)CCCC(P(=O)(O)O)S(=O)(=O)O","InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1","BPH-652","2007-11-14","2021-03-01","(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid",""],["U41","3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide","C21 H20 Cl F N2 O2","C(=O)(c1cccc(c1)Cl)NC24CC(C2)(C(C(=O)Nc3ccc(cc3)F)C)C4;C[CH](C(=O)Nc1ccc(F)cc1)C23CC(C2)(C3)NC(=O)c4cccc(Cl)c4;CC(C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl","InChI=1S/C21H20ClFN2O2/c1-13(18(26)24-17-7-5-16(23)6-8-17)20-10-21(11-20,12-20)25-19(27)14-3-2-4-15(22)9-14/h2-9,13H,10-12H2,1H3,(H,24,26)(H,25,27)/t13-,20-,21+/m1/s1","","2020-04-15","2020-08-21","3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide","2020-08-26"],["U42","[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate","C61 H96 O7","CCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC(C)(C)CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C)C)O)O)O","InChI=1S/C61H96O7/c1-12-13-14-15-16-17-18-19-20-21-22-23-41-55(62)66-46-54-56(63)57(64)58(65)59(67-54)68-61(10,11)45-29-39-50(5)37-27-36-49(4)35-26-33-47(2)31-24-25-32-48(3)34-28-38-51(6)42-43-53-52(7)40-30-44-60(53,8)9/h24-28,31-38,42-43,54,56-59,63-65H,12-23,29-30,39-41,44-46H2,1-11H3/b25-24+,33-26+,34-28+,36-27+,43-42+,47-31+,48-32+,49-35+,50-37+,51-38+/t54-,56-,57+,58-,59-/m1/s1","","2023-05-15","2023-11-17","[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate","2023-11-22"],["B66","4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile","C18 H16 F3 N3 O5","FC(F)(F)c1cc(ccc1C#N)NC(O)C(O)(COc2ccc(cc2)[N+]([O-])=O)C;C[C](O)(COc1ccc(cc1)[N+]([O-])=O)[CH](O)Nc2ccc(C#N)c(c2)C(F)(F)F;CC(COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O","InChI=1S/C18H16F3N3O5/c1-17(26,10-29-14-6-4-13(5-7-14)24(27)28)16(25)23-12-3-2-11(9-22)15(8-12)18(19,20)21/h2-8,16,23,25-26H,10H2,1H3/t16-,17+/m1/s1","","2007-11-28","2011-06-04","4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile",""],["U43","N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine","C8 H9 F3 N2","Nc1cc(ccc1NC)C(F)(F)F;CNc1ccc(cc1N)C(F)(F)F;CNc1ccc(cc1N)C(F)(F)F","InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3","","2022-08-03","2023-05-26","N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine","2023-05-31"],["B67","(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide","C17 H10 F8 N2 O5","[O-][N+](=O)c1ccc(cc1C(F)(F)F)NC(=O)C(O)(COc2c(F)c(F)c(F)c(F)c2F)C;C[C](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O;CC(COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O","InChI=1S/C17H10F8N2O5/c1-16(29,5-32-14-12(21)10(19)9(18)11(20)13(14)22)15(28)26-6-2-3-8(27(30)31)7(4-6)17(23,24)25/h2-4,29H,5H2,1H3,(H,26,28)/t16-/m0/s1","","2007-11-28","2011-06-04","(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide",""],["U44","(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide","C11 H22 N2 O3 S","C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O;CC(C)(C)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(C)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1","","2020-04-16","2024-09-27","(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide","2020-07-01"],["B68","(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide","C19 H18 F3 N3 O6","FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(COc2ccc(cc2)NC(=O)C)C;CC(=O)Nc1ccc(OC[C](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1;CC(=O)Nc1ccc(cc1)OCC(C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O","InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1","","2007-11-29","2011-06-04","(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide",""],["U45","3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide","C24 H20 N4 O3","NC(=O)C1=NN(C[CH](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15;c1ccc2c(c1)c3ccccc3n2CC(CN4C(=O)c5ccccc5C(=N4)C(=O)N)O","InChI=1S/C24H20N4O3/c25-23(30)22-18-9-1-2-10-19(18)24(31)28(26-22)14-15(29)13-27-20-11-5-3-7-16(20)17-8-4-6-12-21(17)27/h1-12,15,29H,13-14H2,(H2,25,30)/t15-/m1/s1","","2023-01-24","2023-09-22","3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide","2023-09-27"],["B69","tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate","C20 H24 K3 O6 P S","[K]OP(=O)(O[K])C(CCCc1ccc(cc1)c2ccc(cc2)CCCC)S(=O)(=O)O[K];CCCCc1ccc(cc1)c2ccc(CCC[CH]([P](=O)(O[K])O[K])[S](=O)(=O)O[K])cc2;CCCCc1ccc(cc1)c2ccc(cc2)CCCC(P(=O)(O[K])O[K])S(=O)(=O)O[K]","InChI=1S/C20H27O6PS.3K/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26;;;/h8-15,20H,2-7H2,1H3,(H2,21,22,23)(H,24,25,26);;;/q;3*+1/p-3/t20-;;;/m1.../s1","","2007-11-15","2011-06-04","tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate",""],["U46","(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID","C21 H34 O4","O=C(O)CCCC=C/CC2C(/C=C/C(O)CCCCC)C1OCC2C1;CCCCC[CH](O)C=C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O","InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20-/m1/s1","9,11-DIDEOXY-9,11-METHANOEPOXY PROSTAGLANDIN F2","2005-11-11","2020-06-17","(5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3R)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid",""],["B6A","[2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone","C20 H22 N4 O","O=C(c1ccc2nc(N)n(c2c1)CC3CCNCC3)c4ccccc4;Nc1nc2ccc(cc2n1CC3CCNCC3)C(=O)c4ccccc4;c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4","InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)","","2011-12-22","2012-03-09","[2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone",""],["U47","(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(1H-1,2,3-triazol-4-yl)methoxy]methyl}piperazine","C18 H21 F4 N5 O4 S","c3(F)cc(CN2C(COCc1cnnn1)CN(CC2)S(C=C)(=O)=O)ccc3OC(F)(F)F;Fc1cc(CN2CCN(C[CH]2COCc3c[nH]nn3)[S](=O)(=O)C=C)ccc1OC(F)(F)F;C=CS(=O)(=O)N1CCN(C(C1)COCc2c[nH]nn2)Cc3ccc(c(c3)F)OC(F)(F)F","InChI=1S/C18H21F4N5O4S/c1-2-32(28,29)27-6-5-26(15(10-27)12-30-11-14-8-23-25-24-14)9-13-3-4-17(16(19)7-13)31-18(20,21)22/h2-4,7-8,15H,1,5-6,9-12H2,(H,23,24,25)/t15-/m1/s1","","2020-04-16","2025-10-31","(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(1H-1,2,3-triazol-4-yl)methoxy]methyl}piperazine","2025-11-05"],["B6B","[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone","C17 H15 N5 O2","COc1ccc(N)cc1c2cnc(N)c(n2)C(=O)c3cccnc3;COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N","InChI=1S/C17H15N5O2/c1-24-14-5-4-11(18)7-12(14)13-9-21-17(19)15(22-13)16(23)10-3-2-6-20-8-10/h2-9H,18H2,1H3,(H2,19,21)","","2017-09-19","2018-08-24","[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone","2018-08-29"],["U48","5-METHYL-2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE","C10 H17 N3 O7 P","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)[NH+]=C1N;CC1=CN(C(=O)[NH+]=C1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/p+1/t6-,7+,8+/m0/s1","[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-3-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-01-20","2021-11-05","[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-3-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-11-10"],["B6C","2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide","C18 H16 Cl2 N4 O2","c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl;Cc1[nH]nc(C)c1c2cc(Cl)c(Nc3ccccc3C(=O)NO)c(Cl)c2;Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl","InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25)","","2019-01-17","2021-07-16","2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide","2021-07-21"],["U49","(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI\nAZA-CYCLOOCTADECOSINE-9-CARBONITRILE","C26 H21 N5 O2","O=C3N4c6c5cc(Oc1cc(ccc1C#N)Cn2cncc2CNC3CC4)ccc5ccc6;O=C1[CH]2CCN1c3cccc4ccc(Oc5cc(Cn6cncc6CN2)ccc5C#N)cc34;c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N","InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1","COMPOUND 49","2002-04-25","2020-06-17","(5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyclo[18.6.2.1~2,5~.1~14,18~.0~8,12~.0~23,27~]triaconta-1(27),8,10,14(29),15,17,20(28),21,23,25-decaene-17-carbonitrile (non-preferred name)",""],["B6D","2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose","C10 H18 N2 O5","O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C;C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(C)=O;CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C","InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1","2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose; 2,4-diacetamido-2,4,6-trideoxy-beta-D-glucopyranose;\nbacillosamine; 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucose; 2,4-bisacetamido-2,4,6-trideoxy-D-glucose;\n2,4-bisacetamido-2,4,6-trideoxy-glucose","2008-05-01","2024-09-27","2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose",""],["U4B","3-fluoranylpyridine-2,4-dicarboxylic acid","C7 H4 F N O4","OC(=O)c1ccnc(C(O)=O)c1F;c1cnc(c(c1C(=O)O)F)C(=O)O","InChI=1S/C7H4FNO4/c8-4-3(6(10)11)1-2-9-5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)","","2021-01-20","2021-05-28","3-fluoranylpyridine-2,4-dicarboxylic acid","2021-06-02"],["B6E","~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide","C26 H17 F4 N5 O4","Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5occc5)nc4c3)cc2)C(F)(F)F;c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F","InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)","","2017-09-19","2017-10-27","~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide","2017-11-01"],["B6F","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron","C32 H38 Fe N4 O4 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C3%10C%12=C%11C6=C3[Fe]4=564789%10C(=C4C=57)C9C=58;[Fe]|1|2|3|4|5|6|7|8(|C9C|1=C|2C|3=C|49)|C%10=C|5C|6(C|7=C|8%10)C(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[CH]%11SC[CH]%12NC(=O)N[CH]%11%12;C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2","InChI=1S/C27H37N4O4S.C5H.Fe/c32-22(20-11-5-6-12-20)13-3-1-9-17-28-24(33)15-4-2-10-18-29-25(34)16-8-7-14-23-26-21(19-36-23)30-27(35)31-26;1-2-4-5-3-1;/h21,23,26H,1-4,7-10,13-19H2,(H,28,33)(H,29,34)(H2,30,31,35);1H;/t21-,23-,26-;;/m0../s1","","2013-03-13","2013-11-15","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron","2013-11-20"],["U4C","(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one","C12 H14 N2 O","O=C1Nc2ccccc2CC21CCCN2;O=C1Nc2ccccc2C[C]13CCCN3;c1ccc2c(c1)CC3(CCCN3)C(=O)N2","InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1","","2023-08-29","2023-11-24","(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one","2023-11-29"],["U4D","5-(trifluoromethyl)pyridin-2-one","C6 H4 F3 N O","FC(F)(F)c1cnc(O)cc1;Oc1ccc(cn1)C(F)(F)F;c1cc(ncc1C(F)(F)F)O","InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)","","2022-08-03","2023-05-26","5-(trifluoromethyl)pyridin-2-ol","2023-05-31"],["B6G","(2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate","C14 H21 N6 O8 P","C1(OC(C(C1O)O)OP(OC(=O)C(C(C)C)N)(O)=O)n2c3c(nc2)c(ncn3)N;CC(C)[CH](N)C(=O)O[P](O)(=O)O[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)C(C(=O)OP(=O)(O)OC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C14H21N6O8P/c1-5(2)6(15)13(23)27-29(24,25)28-14-9(22)8(21)12(26-14)20-4-19-7-10(16)17-3-18-11(7)20/h3-6,8-9,12,14,21-22H,15H2,1-2H3,(H,24,25)(H2,16,17,18)/t6-,8+,9-,12+,14-/m0/s1","","2017-08-01","2018-03-09","(2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate","2018-03-14"],["U4F","15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one","C23 H20 N2 O3","O=C1c2ccccc2c3cc(nc4cccc1c34)N5CCC6(CC5)OCCO6;c1ccc2c(c1)-c3cc(nc4c3c(ccc4)C2=O)N5CCC6(CC5)OCCO6","InChI=1S/C23H20N2O3/c26-22-16-5-2-1-4-15(16)18-14-20(24-19-7-3-6-17(22)21(18)19)25-10-8-23(9-11-25)27-12-13-28-23/h1-7,14H,8-13H2","","2023-01-24","2023-09-22","15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one","2023-09-27"],["B6H","~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide","C25 H30 N6 O3 S","CCC(=O)Nc1ccc(cc1)C(=O)c2sc(Nc3ccc(cc3OC)N4CCN(C)CC4)nc2N;CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N","InChI=1S/C25H30N6O3S/c1-4-21(32)27-17-7-5-16(6-8-17)22(33)23-24(26)29-25(35-23)28-19-10-9-18(15-20(19)34-3)31-13-11-30(2)12-14-31/h5-10,15H,4,11-14,26H2,1-3H3,(H,27,32)(H,28,29)","","2017-09-19","2018-08-24","~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide","2018-08-29"],["U4G","N-octylguanidine","C9 H21 N3","C(C)CCCCCCNC(N)=N;CCCCCCCCNC(N)=N;CCCCCCCCNC(=N)N","InChI=1S/C9H21N3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)","","2020-04-16","2020-10-23","N-octylguanidine","2020-10-28"],["B6I","6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one","C21 H28 N8 O","CN1CCC(CC1)n2cc(Nc3nc(NC4(C)CC4)c5C(=O)N(C)C=Cc5n3)cn2;CC1(CC1)Nc2c3c(nc(n2)Nc4cnn(c4)C5CCN(CC5)C)C=CN(C3=O)C","InChI=1S/C21H28N8O/c1-21(7-8-21)26-18-17-16(6-11-28(3)19(17)30)24-20(25-18)23-14-12-22-29(13-14)15-4-9-27(2)10-5-15/h6,11-13,15H,4-5,7-10H2,1-3H3,(H2,23,24,25,26)","","2021-12-07","2022-08-22","6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one","2022-05-04"],["B6J","3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol","C18 H14 N6 O2","c1c(cccc1c4c(c2cccc(O)c2)nc3c(c(nc(n3)N)N)n4)O;Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4;c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O","InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)","","2017-08-02","2018-05-04","3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol","2018-05-09"],["U4I","N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide","C19 H21 F2 N3 O4 S","O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F;CN(CC(=O)Nc1cccc(NC(C)=O)c1)[S](=O)(=O)c2cc(C)cc(c2)C(F)F;Cc1cc(cc(c1)S(=O)(=O)N(C)CC(=O)Nc2cccc(c2)NC(=O)C)C(F)F","InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26)","","2023-08-30","2023-12-29","N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide","2024-01-03"],["U4J","3-(4-methoxyphenyl)benzoic acid","C14 H12 O3","COc1ccc(cc1)c2cccc(c2)C(O)=O;COc1ccc(cc1)c2cccc(c2)C(=O)O","InChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)","","2017-07-27","2018-01-05","3-(4-methoxyphenyl)benzoic acid","2018-01-10"],["B6K","Biphenyl 3,3',4,4',5,5'-hexakisphosphate","C12 H16 O24 P6","O[P](O)(=O)Oc1cc(cc(O[P](O)(O)=O)c1O[P](O)(O)=O)c2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)c(O[P](O)(O)=O)c2;c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C12H16O24P6/c13-37(14,15)31-7-1-5(2-8(32-38(16,17)18)11(7)35-41(25,26)27)6-3-9(33-39(19,20)21)12(36-42(28,29)30)10(4-6)34-40(22,23)24/h1-4H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)","","2015-07-07","2016-04-08","[2,3-diphosphonooxy-5-(3,4,5-triphosphonooxyphenyl)phenyl] dihydrogen phosphate","2016-04-13"],["U4K","2-isoquinolin-1-ylsulfanylethanoic acid","C11 H9 N O2 S","OC(=O)CSc1nccc2ccccc12;c1ccc2c(c1)ccnc2SCC(=O)O","InChI=1S/C11H9NO2S/c13-10(14)7-15-11-9-4-2-1-3-8(9)5-6-12-11/h1-6H,7H2,(H,13,14)","(Isoquinolin-1-ylsulfanyl)-acetic acid; 2-(Isoquinolin-1-ylthio)acetic acid","2021-01-21","2022-02-25","2-isoquinolin-1-ylsulfanylethanoic acid","2022-03-02"],["B6L","2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide","C25 H20 F7 N O4 S","c1cc(S(CC)(=O)=O)ccc1CC(Nc2ccc(cc2)c3c(F)cc(cc3)C(C(F)(F)F)(C(F)(F)F)O)=O;CC[S](=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(O)(C(F)(F)F)C(F)(F)F)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)","","2019-01-17","2019-04-26","2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide","2019-05-01"],["B6M","(1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside","C23 H45 N5 O14","C1(OC(C(C(C1N)O)O)CO)OC2C(CC(N)C(C2OC3OC(C(C3O)OC4C(N)C(C(C(CN)O4)O)O)CO)O)N;NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N","InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6-,7+,8-,9+,10-,11-,12+,13+,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-/m1/s1","","2017-08-02","2018-02-16","(1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside","2018-02-21"],["U4L","(4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile","C26 H30 N8 O","CCC(=O)N1CC2(CCN(C2)c2nc(nc(c3c(C)ccc4[NH]ncc34)c2C#N)N2CCCC2)C1;CCC(=O)N1CC2(CCN(C2)c3nc(nc(c3C#N)c4c(C)ccc5[nH]ncc45)N6CCCC6)C1;CCC(=O)N1CC2(C1)CCN(C2)c3c(c(nc(n3)N4CCCC4)c5c(ccc6c5cn[nH]6)C)C#N","InChI=1S/C26H30N8O/c1-3-21(35)34-15-26(16-34)8-11-33(14-26)24-18(12-27)23(29-25(30-24)32-9-4-5-10-32)22-17(2)6-7-20-19(22)13-28-31-20/h6-7,13H,3-5,8-11,14-16H2,1-2H3,(H,28,31)","","2022-08-04","2024-09-27","(4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile","2022-08-17"],["U4M","1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione","C10 H14 F N2 O8 P","C1(OC(C(C1F)O)(COP(O)(=O)O)C)N2C(NC(C=C2)=O)=O;C[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O;CC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O","InChI=1S/C10H14FN2O8P/c1-10(4-20-22(17,18)19)7(15)6(11)8(21-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1","2'-F,4'-alpha-methyl uridine 5--(dihydrogen phosphate)","2018-04-06","2021-03-13","1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione","2018-08-29"],["B6N","1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one","C22 H12 F4 N4 O","Fc1ccc(N2C(=O)C=Cc3cnc4ccc(cc4c23)c5c[nH]nc5)c(c1)C(F)(F)F;c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F","InChI=1S/C22H12F4N4O/c23-15-3-5-19(17(8-15)22(24,25)26)30-20(31)6-2-13-9-27-18-4-1-12(7-16(18)21(13)30)14-10-28-29-11-14/h1-11H,(H,28,29)","","2017-09-19","2018-08-24","1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one","2018-08-29"],["U4N","2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide","C26 H25 F3 N6 O3 S","FC(F)(F)C[S](=O)(=O)Nc1ccc(Oc2ncccc2c3ccnc(N[CH]4CCCNC4)n3)c5ccccc15;c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)NS(=O)(=O)CC(F)(F)F","InChI=1S/C26H25F3N6O3S/c27-26(28,29)16-39(36,37)35-22-9-10-23(19-7-2-1-6-18(19)22)38-24-20(8-4-13-31-24)21-11-14-32-25(34-21)33-17-5-3-12-30-15-17/h1-2,4,6-11,13-14,17,30,35H,3,5,12,15-16H2,(H,32,33,34)/t17-/m0/s1","","2021-01-21","2021-09-24","2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide","2021-09-29"],["B6O","3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione","C24 H16 F2 N4 O2","CN(C)c1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34;CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F","InChI=1S/C24H16F2N4O2/c1-29(2)14-7-5-6-13(10-14)20-18(25)11-15(12-19(20)26)30-22-21(27-28-30)23(31)16-8-3-4-9-17(16)24(22)32/h3-12H,1-2H3","","2019-01-17","2020-09-25","3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione","2020-09-30"],["U4O","[4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone","C29 H26 N4 O3","O=C(N1CCN(CC1)C(=O)c2c3CCCC(=Cc4occc4)c3nc5ccccc25)c6ccccn6;c1ccc2c(c1)c(c3c(n2)C(=Cc4ccco4)CCC3)C(=O)N5CCN(CC5)C(=O)c6ccccn6","InChI=1S/C29H26N4O3/c34-28(25-12-3-4-13-30-25)32-14-16-33(17-15-32)29(35)26-22-9-1-2-11-24(22)31-27-20(7-5-10-23(26)27)19-21-8-6-18-36-21/h1-4,6,8-9,11-13,18-19H,5,7,10,14-17H2/b20-19+","","2023-01-24","2023-09-22","[4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone","2023-09-27"],["B6P","P1,P6-Di(adenosine-5') hexaphosphate","C20 H30 N10 O25 P6","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N","InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2011-05-27","2011-07-22","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate",""],["U4P","5'-deoxyuridine","C9 H12 N2 O5","O=C1NC(=O)C=CN1C2C(C(C(O2)C)O)O;C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O","InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1","","2020-04-16","2021-04-16","5'-deoxyuridine","2021-04-21"],["B6Q","~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide","C24 H28 N6 O2 S","CCC(=O)Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)N4CCN(C)CC4)nc2N;CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N","InChI=1S/C24H28N6O2S/c1-3-20(31)26-18-6-4-5-16(15-18)21(32)22-23(25)28-24(33-22)27-17-7-9-19(10-8-17)30-13-11-29(2)12-14-30/h4-10,15H,3,11-14,25H2,1-2H3,(H,26,31)(H,27,28)","","2017-09-19","2018-08-24","~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide","2018-08-29"],["U4Q","5-fluoranylpyridine-2,4-dicarboxylic acid","C7 H4 F N O4","OC(=O)c1cc(C(O)=O)c(F)cn1;c1c(c(cnc1C(=O)O)F)C(=O)O","InChI=1S/C7H4FNO4/c8-4-2-9-5(7(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13)","","2021-01-21","2021-05-28","5-fluoranylpyridine-2,4-dicarboxylic acid","2021-06-02"],["B6R","3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione","C23 H13 F2 N3 O3","COc1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34;COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F","InChI=1S/C23H13F2N3O3/c1-31-14-6-4-5-12(9-14)19-17(24)10-13(11-18(19)25)28-21-20(26-27-28)22(29)15-7-2-3-8-16(15)23(21)30/h2-11H,1H3","","2019-01-17","2020-09-25","3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione","2020-09-30"],["B6S","1,3-benzothiazole-6-sulfonic acid","C7 H5 N O3 S2","O=S(=O)(O)c1ccc2ncsc2c1;O[S](=O)(=O)c1ccc2ncsc2c1;c1cc2c(cc1S(=O)(=O)O)scn2","InChI=1S/C7H5NO3S2/c9-13(10,11)5-1-2-6-7(3-5)12-4-8-6/h1-4H,(H,9,10,11)","","2011-06-06","2012-06-01","1,3-benzothiazole-6-sulfonic acid",""],["U4R","(2E)-but-2-en-1-yl dihydrogen phosphate","C4 H9 O4 P","O=P(O)(O)OCC=CC;CC=CCO[P](O)(O)=O;CC=CCOP(=O)(O)O","InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+","","2023-08-30","2024-02-16","(2E)-but-2-en-1-yl dihydrogen phosphate","2024-02-21"],["U4S","1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione","C13 H19 N3 O5","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCCC3;O[CH]1[CH](O)[CH](O[CH]1CN2CCCC2)N3C=CC(=O)NC3=O;C1CCN(C1)CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C13H19N3O5/c17-9-3-6-16(13(20)14-9)12-11(19)10(18)8(21-12)7-15-4-1-2-5-15/h3,6,8,10-12,18-19H,1-2,4-5,7H2,(H,14,17,20)/t8-,10-,11+,12+/m0/s1","","2008-06-10","2011-06-04","1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["B6T","8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile","C16 H14 N4 O","CC(C)c1c(O)c2ncc(C#N)n2nc1c3ccccc3;CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O","InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-20-12(8-17)9-18-16(20)15(13)21/h3-7,9-10,21H,1-2H3","","2017-09-19","2018-04-27","8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile","2018-05-02"],["U4T","4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid","C13 H10 O2 S","OC(=O)c1sc2c(CCc3ccccc23)c1;c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O","InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)","4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid; 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid","2021-01-21","2022-02-25","4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid","2022-03-02"],["B6U","3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione","C23 H12 F3 N3 O3","OCc1ccc(F)c(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34;c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O","InChI=1S/C23H12F3N3O3/c24-16-6-5-11(10-30)7-15(16)19-17(25)8-12(9-18(19)26)29-21-20(27-28-29)22(31)13-3-1-2-4-14(13)23(21)32/h1-9,30H,10H2","","2019-01-17","2020-09-25","3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione","2020-09-30"],["U4U","1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one","C23 H22 Cl F N2 O3","Oc1cccc(Cl)c1c1c(C#C)cc2CN3CCN(CC3COc2c1F)C(=O)CC;CCC(=O)N1CCN2Cc3cc(C#C)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl;CCC(=O)N1CCN2Cc3cc(c(c(c3OCC2C1)F)c4c(cccc4Cl)O)C#C","InChI=1S/C23H22ClFN2O3/c1-3-14-10-15-11-26-8-9-27(19(29)4-2)12-16(26)13-30-23(15)22(25)20(14)21-17(24)6-5-7-18(21)28/h1,5-7,10,16,28H,4,8-9,11-13H2,2H3/t16-/m1/s1","","2022-08-04","2024-09-27","1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one","2022-08-17"],["B6V","(2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one","C21 H27 N3 O3","CCN1C(=O)C2=C(O[C](C)(CC=NO)C[CH]2C=C(C)C)c3ccc(C)nc13;CCN1c2c(ccc(n2)C)C3=C(C1=O)C(CC(O3)(C)CC=NO)C=C(C)C","InChI=1S/C21H27N3O3/c1-6-24-19-16(8-7-14(4)23-19)18-17(20(24)25)15(11-13(2)3)12-21(5,27-18)9-10-22-26/h7-8,10-11,15,26H,6,9,12H2,1-5H3/b22-10+/t15-,21+/m1/s1","","2022-03-25","2022-07-01","(2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one","2022-07-06"],["U4V","3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine","C19 H23 N7 O6 S","c1(S(=O)(=O)N)ccc(cc1)NCc4nnn(C3CC(N2C=C(C(=O)NC2=O)C)OC3CO)c4;CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(CNc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N","InChI=1S/C19H23N7O6S/c1-11-8-25(19(29)22-18(11)28)17-6-15(16(10-27)32-17)26-9-13(23-24-26)7-21-12-2-4-14(5-3-12)33(20,30)31/h2-5,8-9,15-17,21,27H,6-7,10H2,1H3,(H2,20,30,31)(H,22,28,29)/t15-,16+,17+/m0/s1","","2020-04-21","2021-02-19","3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine","2021-02-24"],["B6W","2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide","C17 H18 Cl N7 O2","CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(CCNC(=O)CCl)c3;CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl","InChI=1S/C17H18ClN7O2/c1-10(2)14-15(23-16-11(6-19)7-22-25(16)17(14)27)12-8-21-24(9-12)4-3-20-13(26)5-18/h7-10,23H,3-5H2,1-2H3,(H,20,26)","","2017-09-20","2018-04-27","2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide","2018-05-02"],["U4W","N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE","C32 H36 F2 N6 O2","CN1CCN(CC1)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N[CH]6CC[CH](O)CC6)c2;CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F","InChI=1S/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-","","2016-01-14","2016-04-01","N-[5-[[3,5-bis(fluoranyl)phenyl]methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide","2016-04-06"],["B6X","(3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid","C11 H20 O4 S","O=C(O)CSC(CC(=O)O)CCCCCC;CCCCCC[CH](CC(O)=O)SCC(O)=O;CCCCCCC(CC(=O)O)SCC(=O)O","InChI=1S/C11H20O4S/c1-2-3-4-5-6-9(7-10(12)13)16-8-11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)/t9-/m1/s1","","2019-01-17","2019-06-07","(3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid","2019-06-12"],["U4X","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol","C26 H33 N O5","OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCOCc2cc3ccccc3c4ccccc24;c1ccc2c(c1)cc(c3c2cccc3)COCCCCCN4CC(C(C(C4CO)O)O)O","InChI=1S/C26H33NO5/c28-16-23-25(30)26(31)24(29)15-27(23)12-6-1-7-13-32-17-19-14-18-8-2-3-9-20(18)22-11-5-4-10-21(19)22/h2-5,8-11,14,23-26,28-31H,1,6-7,12-13,15-17H2/t23-,24+,25-,26-/m1/s1","","2023-01-25","2023-09-08","(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol","2023-09-13"],["B6Y","(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C26 H46 N4 O10 S","C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC;CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1","bound form","2017-08-02","2024-09-27","(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2018-04-04"],["U4Y","(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid","C23 H28 N6 O7 S","c1(N)ncnc2c1ncn2C4OC(CSCCC(NC(=O)[C@H]=[C@H]C3C=CC(C=C3)O)C(O)=O)C(C4O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCC[CH](NC(=O)C=C[CH]4C=C[CH](O)C=C4)C(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)NC(=O)C=CC4C=CC(C=C4)O)O)O)N","InChI=1S/C23H28N6O7S/c24-20-17-21(26-10-25-20)29(11-27-17)22-19(33)18(32)15(36-22)9-37-8-7-14(23(34)35)28-16(31)6-3-12-1-4-13(30)5-2-12/h1-6,10-15,18-19,22,30,32-33H,7-9H2,(H,28,31)(H,34,35)(H2,24,25,26)/b6-3+/t12-,13?,14-,15+,18+,19+,22+/m0/s1","","2020-04-22","2020-05-08","(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid (non-preferred name)","2020-05-13"],["B6Z","[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone","C22 H25 N5 O2 S","COc1cc(ccc1Nc2sc(c(N)n2)C(=O)c3ccccc3)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N","InChI=1S/C22H25N5O2S/c1-26-10-12-27(13-11-26)16-8-9-17(18(14-16)29-2)24-22-25-21(23)20(30-22)19(28)15-6-4-3-5-7-15/h3-9,14H,10-13,23H2,1-2H3,(H,24,25)","","2017-09-20","2018-08-24","[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone","2018-08-29"],["U4Z","gamma-Carotene","C40 H56","CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C","InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+","2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene","2023-05-15","2023-11-24","2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene","2023-11-22"],["B70","tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate","C16 H16 K3 O6 P S","[K]OP(=O)(O[K])C(CCCc1ccc(cc1)c2ccccc2)S(=O)(=O)O[K];[K]O[P](=O)(O[K])[CH](CCCc1ccc(cc1)c2ccccc2)[S](=O)(=O)O[K];c1ccc(cc1)c2ccc(cc2)CCCC(P(=O)(O[K])O[K])S(=O)(=O)O[K]","InChI=1S/C16H19O6PS.3K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3/t16-;;;/m1.../s1","","2007-11-15","2011-06-04","tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate",""],["U50","2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide","C23 H29 Cl2 N7 O2","CCC(=O)N1CC(C1)NC(=O)c1c(Cl)nc(CNc2n[NH]c3cc(Cl)c(cc32)C(C)(C)C)n1C;CCC(=O)N1CC(C1)NC(=O)c2n(C)c(CNc3n[nH]c4cc(Cl)c(cc34)C(C)(C)C)nc2Cl;CCC(=O)N1CC(C1)NC(=O)c2c(nc(n2C)CNc3c4cc(c(cc4[nH]n3)Cl)C(C)(C)C)Cl","InChI=1S/C23H29Cl2N7O2/c1-6-18(33)32-10-12(11-32)27-22(34)19-20(25)28-17(31(19)5)9-26-21-13-7-14(23(2,3)4)15(24)8-16(13)29-30-21/h7-8,12H,6,9-11H2,1-5H3,(H,27,34)(H2,26,29,30)","","2022-08-04","2024-09-27","2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide","2022-08-17"],["B71","3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM","C17 H32 N O7 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCCCCC)c1;CCCCCCCCCCOc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)/p+1","2-(3-DECYLOXY-PYRIDINUM-1-YL)-1,1-BISPHOSPHONIC ACID","2007-01-30","2021-03-13","3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium",""],["U51","(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid","C20 H32 N2 O2","O=C(O)CCC/C=CCC2C1N=NC(C1)C2/C=C/CCCCCC;CCCCCCC=C[CH]1[CH]2C[CH](N=N2)[CH]1CC=CCCCC(O)=O;CCCCCCC=CC1C2CC(C1CC=CCCCC(=O)O)N=N2","InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1","9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID; U-51605","2005-11-11","2020-06-17","(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid",""],["B72","{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid","C20 H24 O4","CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O;Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O","InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)","","2009-06-25","2011-06-04","2-[4-[(4-hydroxy-3-propan-2-yl-phenyl)methyl]-3,5-dimethyl-phenoxy]ethanoic acid",""],["B73","3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium","C17 H35 N2 O6 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1ccn(c1)CCCCCCCCCCCC;CCCCCCCCCCCCn1cc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C17H34N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(16-18)15-17(26(20,21)22)27(23,24)25/h13-14,16-17H,2-12,15H2,1H3,(H3-,20,21,22,23,24,25)/p+1","","2010-04-06","2012-02-24","3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium",""],["U52","2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide","C24 H29 Cl N6 O3","CNC(=O)COC1=Cc2cc(Nc3nc(ncc3Cl)N4C[CH](C)C[CH](C)C4)ccc2N(C)C1=O;CC1CC(CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C","InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+","","2017-01-18","2017-09-29","2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide","2017-10-04"],["B74","(3-methylphenyl)methanol","C8 H10 O","C(O)c1cc(ccc1)C;Cc1cccc(CO)c1;Cc1cccc(c1)CO","InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3","","2017-08-02","2024-09-27","(3-methylphenyl)methanol","2017-10-04"],["U53","ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate","C16 H16 N2 O3 S","CCOC(=O)c1cnc2ccc(OC)cc2c1SCCC#N;CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC","InChI=1S/C16H16N2O3S/c1-3-21-16(19)13-10-18-14-6-5-11(20-2)9-12(14)15(13)22-8-4-7-17/h5-6,9-10H,3-4,8H2,1-2H3","","2016-04-06","2017-02-10","ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate","2017-02-15"],["B75","1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID","C24 H23 N O9 P2 S","O=S(=O)(Nc1cc(ccc1)c2cccc(c2)CC(O)(P(=O)(O)O)P(=O)(O)O)c4cc3ccccc3cc4;OC(Cc1cccc(c1)c2cccc(N[S](=O)(=O)c3ccc4ccccc4c3)c2)([P](O)(O)=O)[P](O)(O)=O;c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32)","(1-HYDROXY-2-{3'-[(2-NAPHTHYLSULFONYL)AMINO]BIPHENYL-3-YL}ETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","2007-01-30","2021-03-13","(1-hydroxy-2-{3'-[(naphthalen-2-ylsulfonyl)amino]biphenyl-3-yl}ethane-1,1-diyl)bis(phosphonic acid)",""],["U54","(1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol","C21 H41 N5 O4","NCCCCc1cn(CCCCCCCCN[CH]2C[CH](O)[CH](O)[CH](O)[CH]2CO)nn1;c1c(nnn1CCCCCCCCNC2CC(C(C(C2CO)O)O)O)CCCCN","InChI=1S/C21H41N5O4/c22-10-6-5-9-16-14-26(25-24-16)12-8-4-2-1-3-7-11-23-18-13-19(28)21(30)20(29)17(18)15-27/h14,17-21,23,27-30H,1-13,15,22H2/t17-,18+,19-,20+,21+/m0/s1","","2023-01-25","2024-09-27","(1~{S},2~{R},3~{R},4~{R},5~{R})-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol","2023-09-13"],["U55","4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE","C10 H11 N5 O2 S","O=S(=O)(N)c2ccc(Nc1ncnc(N)c1)cc2;Nc1cc(Nc2ccc(cc2)[S](N)(=O)=O)ncn1;c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N","InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)","","2001-08-21","2011-06-04","4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide",""],["B76","[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","C20 H20 O8 P2","O=P(O)(O)C(O)(COc1cc(ccc1)c3cccc(c2ccccc2)c3)P(=O)(O)O;OC(COc1cccc(c1)c2cccc(c2)c3ccccc3)([P](O)(O)=O)[P](O)(O)=O;c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)","","2007-01-31","2011-06-04","[1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid)",""],["U56","N-hydroxycytidine","C9 H13 N3 O6","ONC1=NC(=O)N(C=C1)C1OC(CO)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)NO;C1=CN(C(=O)N=C1NO)C2C(C(C(O2)CO)O)O","InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1","","2023-08-30","2024-03-08","N-hydroxycytidine","2024-03-13"],["B77","2-[(2-methoxy-5-methylphenoxy)methyl]pyridine","C14 H15 N O2","O(c1cc(ccc1OC)C)Cc2ncccc2;COc1ccc(C)cc1OCc2ccccn2;Cc1ccc(c(c1)OCc2ccccn2)OC","InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3","","2009-07-21","2024-09-27","2-[(2-methoxy-5-methylphenoxy)methyl]pyridine",""],["U57","(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol","C14 H20 F N5 O","C(CC)CC(CO)(C)Nc2c1c(cc(cn1)F)nc(n2)N;CCCC[C](C)(CO)Nc1nc(N)nc2cc(F)cnc12;CCCCC(C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N","InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1","","2020-04-22","2021-01-29","(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol","2021-02-03"],["B78","4-[(5-methoxy-2-methylphenoxy)methyl]pyridine","C14 H15 N O2","O(c1cc(OC)ccc1C)Cc2ccncc2;COc1ccc(C)c(OCc2ccncc2)c1;Cc1ccc(cc1OCc2ccncc2)OC","InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3","","2009-07-21","2024-09-27","4-[(5-methoxy-2-methylphenoxy)methyl]pyridine",""],["U58","3-(quinazolin-4-ylsulfanyl)propanoic acid","C11 H10 N2 O2 S","OC(=O)CCSc1ncnc2ccccc12;c1ccc2c(c1)c(ncn2)SCCC(=O)O","InChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15)","3-quinazolin-4-ylsulfanylpropanoic acid; 3-(Quinazolin-4-ylthio)propanoic acid; 3-quinazolin-4-ylthiopropanoic acid; 3-(4-quinazolinylsulfanyl)propanoic acid","2021-01-21","2022-02-25","3-quinazolin-4-ylsulfanylpropanoic acid","2022-03-02"],["B79","(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide","C33 H38 N4 O2","COc1ccc(NC(=O)N2CCCCN3[CH](CN(C)C)[CH]([CH]3C2)c4ccc(cc4)C#Cc5ccccc5)cc1;CN(C)CC1C(C2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5","InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1","","2020-12-22","2022-03-18","(8~{R},9~{S},10~{S})-10-[(dimethylamino)methyl]-~{N}-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide","2022-03-23"],["U59","(4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one","C25 H25 F N4 O4 S","FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OCC3CC3)S(C)(=O)=O)c2c1;CN1C=C(c2cc(ccc2OCC3CC3)[S](C)(=O)=O)c4cc(ccc4C1=O)c5cn(CCF)nn5;CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OCC5CC5)S(=O)(=O)C","InChI=1S/C25H25FN4O4S/c1-29-13-22(21-12-18(35(2,32)33)6-8-24(21)34-15-16-3-4-16)20-11-17(5-7-19(20)25(29)31)23-14-30(10-9-26)28-27-23/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3","","2022-08-05","2023-03-24","(4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one","2023-03-29"],["B7A","2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)","C10 H15 N2 O15 P3","C2(COP(=O)(O)OP(O)(OP(=O)(O)O)=O)C(CC(N1C(NC(C(C=O)=C1)=O)=O)O2)O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C=O)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H15N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,14H,1,4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1","5-FodUTP","2017-08-03","2021-03-01","2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)","2017-09-13"],["B7B","4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide","C23 H28 N6 O2","CN1C(=O)[CH]2CCC[CH]2N(C3CCCC3)c4nc(Nc5ccc(cc5)C(N)=O)ncc14;CN1c2cnc(nc2N(C3CCCC3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N","InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1","","2017-09-20","2018-08-24","4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide","2018-08-29"],["U5A","[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","C10 H17 N7 O2","NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3;NC(=O)OC[CH]1NC(=N)N2CCC[C]23NC(=N)N[CH]13;C1CC23C(C(NC(=N)N2C1)COC(=O)N)NC(=N)N3","InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1","","2020-04-23","2020-06-12","[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","2020-06-17"],["U5B","2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid","C14 H12 O2 S","OC(=O)CSc1ccc2CCc3cccc1c23;c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2","InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)","(Acenaphthen-5-ylsulfanyl)-acetic acid","2021-01-21","2022-02-25","2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid","2022-03-02"],["B7C","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3H)-one","C12 H16 N3 O7 P","O=C1N=C3C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C=CCN3;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3C=CCNC3=NC2=O;C1C=CC2=CN(C(=O)N=C2N1)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H16N3O7P/c16-8-4-10(22-9(8)6-21-23(18,19)20)15-5-7-2-1-3-13-11(7)14-12(15)17/h1-2,5,8-10,16H,3-4,6H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","2009-04-30","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3H)-one",""],["U5C","2,2-bis(oxidanyl)pentanedioic acid","C5 H8 O6","OC(=O)CCC(O)(O)C(O)=O;C(CC(C(=O)O)(O)O)C(=O)O","InChI=1S/C5H8O6/c6-3(7)1-2-5(10,11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)","2,2-dihydroxyglutarate; 2,2-dihydroxypentanedioic acid","2023-05-03","2023-08-04","2,2-bis(oxidanyl)pentanedioic acid","2023-08-09"],["B7D","(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","C8 H8 Cl3 N3 O4 S2","O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N;N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)C(Cl)Cl)cc1Cl;c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl","InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1","","2009-08-10","2011-12-12","(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",""],["B7E","compound 28","C22 H26 N4 O2","CO[CH]1CC[C]2(C[CH]1C)Cc3ccc(cc3[C]24COC(=N4)N)c5cncnc5;CC1CC2(CCC1OC)Cc3ccc(cc3C24COC(=N4)N)c5cncnc5","InChI=1S/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22-/m0/s1","","2017-09-20","2018-04-13","","2018-04-18"],["U5D","2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one","C23 H20 N2 O4","CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=N2)C)c3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3","","2023-05-17","2024-05-03","2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one","2024-05-08"],["U5E","N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide","C14 H13 N O S","CNC(=O)c1sc2c(CCc3ccccc23)c1;CNC(=O)c1cc2c(s1)-c3ccccc3CC2","InChI=1S/C14H13NOS/c1-15-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3,(H,15,16)","~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide; N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide; N-Methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxamide; N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide; N-methyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxamide","2021-01-22","2022-02-25","~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide","2022-03-02"],["B7F","2,2,3,3,4,4,4-heptafluorobutan-1-ol","C4 H3 F7 O","FC(F)(F)C(F)(F)C(F)(F)CO;OCC(F)(F)C(F)(F)C(F)(F)F;C(C(C(C(F)(F)F)(F)F)(F)F)O","InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2","","2020-07-20","2020-07-31","2,2,3,3,4,4,4-heptafluorobutan-1-ol","2020-08-05"],["B7G","heptyl beta-D-glucopyranoside","C13 H26 O6","O(CCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1","HEPTYL-BETA-D-GLUCOPYRANOSIDE; heptyl beta-D-glucoside; heptyl D-glucoside; heptyl glucoside","1999-07-08","2020-07-17","heptyl beta-D-glucopyranoside",""],["U5F","5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine","C9 H17 N2 O21 P5","C1(OC(C(C1O)O)COP(=O)(O)OP(=O)(O)OP(O)(=O)OP(OP(=O)(O)O)(O)=O)N2C(NC(=O)C=C2)=O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H17N2O21P5/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(28-8)3-27-34(19,20)30-36(23,24)32-37(25,26)31-35(21,22)29-33(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2019-07-22","2019-11-01","5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine","2019-11-06"],["U5G","boceprevir (bound form)","C27 H47 N5 O5","C(=O)(NC(C)(C)C)NC(C(C)(C)C)C(N1CC3C(C1C(=O)NC(CC2CCC2)C(O)C(=O)N)C3(C)C)=O;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CC3CCC3)[CH](O)C(N)=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(C(=O)N)O)C","InChI=1S/C27H47N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-20,33H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,19+,20+/m0/s1","(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2020-04-23","2024-09-27","(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2020-05-06"],["B7H","5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile","C15 H13 F N4 O","Cc1c([nH]nc1C#N)c2cc(F)c3NC(=O)C(C)(C)c3c2;Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N","InChI=1S/C15H13FN4O/c1-7-11(6-17)19-20-12(7)8-4-9-13(10(16)5-8)18-14(21)15(9,2)3/h4-5H,1-3H3,(H,18,21)(H,19,20)","","2015-03-08","2015-05-08","5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile","2015-05-13"],["B7I","2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)","C25 H28 N4 O2","c1cc(ccc1c2nccn2)OCCCCCCCOc3ccc(cc3)c4nccn4;C(CCCOc1ccc(cc1)c2[nH]ccn2)CCCOc3ccc(cc3)c4[nH]ccn4;c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4","InChI=1S/C25H28N4O2/c1(2-4-18-30-22-10-6-20(7-11-22)24-26-14-15-27-24)3-5-19-31-23-12-8-21(9-13-23)25-28-16-17-29-25/h6-17H,1-5,18-19H2,(H,26,27)(H,28,29)","","2015-09-07","2016-01-15","2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)","2016-01-20"],["U5H","(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one","C10 H12 N2 O","CN1[CH](CCC1=O)c2cccnc2;CN1C(CCC1=O)c2cccnc2","InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1","","2021-01-22","2022-02-25","(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one","2022-03-02"],["U5I","(5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid","C52 H48 N4 O8","O=C(O)c1cc(cc(c1)NCc1ccccc1OCCOCCOCCOc1ccccc1CNc1cc(cc(c1)c1ccnc2CC=CCc12)C(=O)O)c1ccnc2ccccc21;OC(=O)c1cc(NCc2ccccc2OCCOCCOCCOc3ccccc3CNc4cc(cc(c4)c5ccnc6ccccc56)C(O)=O)cc(c1)c7ccnc8CC=CCc78;c1ccc(c(c1)CNc2cc(cc(c2)C(=O)O)c3ccnc4c3cccc4)OCCOCCOCCOc5ccccc5CNc6cc(cc(c6)C(=O)O)c7ccnc8c7CC=CC8","InChI=1S/C52H48N4O8/c57-51(58)39-27-37(43-17-19-53-47-13-5-3-11-45(43)47)29-41(31-39)55-33-35-9-1-7-15-49(35)63-25-23-61-21-22-62-24-26-64-50-16-8-2-10-36(50)34-56-42-30-38(28-40(32-42)52(59)60)44-18-20-54-48-14-6-4-12-46(44)48/h1-11,13,15-20,27-32,55-56H,12,14,21-26,33-34H2,(H,57,58)(H,59,60)","","2022-08-05","2022-09-02","(5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid","2022-09-07"],["B7J","2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)","C10 H16 N3 O14 P3","C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O;NC1=NC(=O)N(C=C1C=O)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1","5-FodCTP","2017-08-03","2021-03-01","2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)","2017-09-13"],["U5J","[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury","C13 H17 Hg N O6","c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O;CO[CH](CNC(=O)c1ccccc1OCC(O)=O)C[Hg]O;COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O","InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1/t9-;;/m0../s1","","2020-04-23","2021-04-02","[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury","2021-04-07"],["B7K","7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C21 H23 N7 O2","CC(C)[CH]1C(=O)n2ncc(C#N)c2N=C1c3cnn(c3)C4CCN(CC4)C(=O)C=C;CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C","InChI=1S/C21H23N7O2/c1-4-17(29)26-7-5-16(6-8-26)27-12-15(11-23-27)19-18(13(2)3)21(30)28-20(25-19)14(9-22)10-24-28/h4,10-13,16,18H,1,5-8H2,2-3H3/t18-/m0/s1","","2017-09-20","2018-04-27","7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2018-05-02"],["U5L","(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C26 H32 O4","Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC(C)(C)C)C(O)=O;Cc1ccc(c(c1C(C(=O)O)OC(C)(C)C)c2ccc3c(c2C)CCCO3)C4CC4","InChI=1S/C26H32O4/c1-15-8-11-20(17-9-10-17)23(22(15)24(25(27)28)30-26(3,4)5)19-12-13-21-18(16(19)2)7-6-14-29-21/h8,11-13,17,24H,6-7,9-10,14H2,1-5H3,(H,27,28)/t24-/m0/s1","","2023-01-26","2023-06-02","(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2023-06-07"],["B7L","2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid","C17 H12 N4 O4","O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12;OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12;c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4","InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24)","","2021-11-12","2022-02-04","2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid","2022-02-09"],["U5M","1-(2,6-dideoxy-2-fluoro-5-O-phosphono-alpha-L-talofuranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H14 F N2 O8 P","O=C1NC(=O)C=CN1C2OC(C(C2F)O)C(C)OP(=O)(O)O;C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O;CC(C1C(C(C(O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O","InChI=1S/C10H14FN2O8P/c1-4(21-22(17,18)19)8-7(15)6(11)9(20-8)13-3-2-5(14)12-10(13)16/h2-4,6-9,15H,1H3,(H,12,14,16)(H2,17,18,19)/t4-,6+,7-,8+,9+/m0/s1","","2015-08-18","2016-06-24","1-(2,6-dideoxy-2-fluoro-5-O-phosphono-alpha-L-talofuranosyl)pyrimidine-2,4(1H,3H)-dione","2016-06-29"],["B7M","(10E,12Z)-hexadeca-10,12-dienal","C16 H28 O","O=CCCCCCCCCC=CC=C/CCC;CCCC=CC=CCCCCCCCCC=O;CCCC=CC=CCCCCCCCCC=O","InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+","","2009-03-12","2025-04-24","(10E,12Z)-hexadeca-10,12-dienal",""],["U5N","(2~{R})-2-methyl-2~{H}-furan-5-one","C5 H6 O2","C[CH]1OC(=O)C=C1;CC1C=CC(=O)O1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","","2021-01-22","2022-07-08","(2~{R})-2-methyl-2~{H}-furan-5-one","2022-07-13"],["B7N","(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate","C45 H85 O13 P","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OC1C(O)C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C45H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40-45,48-52H,3-17,19,21-36H2,1-2H3,(H,53,54)/b20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1","","2007-11-16","2011-06-04","(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate",""],["B7O","~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide","C26 H26 N2 O4","CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc4OCCOc4c3)cc2;CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4","InChI=1S/C26H26N2O4/c1-26(2,3)19-7-4-17(5-8-19)24(29)27-20-9-11-21(12-10-20)28-25(30)18-6-13-22-23(16-18)32-15-14-31-22/h4-13,16H,14-15H2,1-3H3,(H,27,29)(H,28,30)","","2019-01-18","2019-12-27","~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide","2020-01-01"],["U5O","(2E)-2-methylbut-2-en-1-yl dihydrogen phosphate","C5 H11 O4 P","O=P(O)(O)OCC(C)=CC;CC=C(C)CO[P](O)(O)=O;CC=C(C)COP(=O)(O)O","InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+","","2023-08-30","2024-02-16","(2E)-2-methylbut-2-en-1-yl dihydrogen phosphate","2024-02-21"],["U5P","URIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2024-09-27","5'-uridylic acid",""],["B7P","2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate)","C9 H14 F N2 O14 P3","C1=C(F)C(=O)NC(N1C2CC(O)C(O2)COP(=O)(O)OP(O)(OP(=O)(O)O)=O)=O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(F)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H14FN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","5-FdUTP","2017-08-03","2021-03-01","2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate)","2017-09-13"],["U5Q","(5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid","C17 H13 N O3","O=C(O)c1cc(ccc1O)c1c(C)ccc2ncccc12;Cc1ccc2ncccc2c1c3ccc(O)c(c3)C(O)=O;Cc1ccc2c(c1c3ccc(c(c3)C(=O)O)O)cccn2","InChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21)","","2022-08-05","2022-09-02","(5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid","2022-09-07"],["B7Q","5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C20 H22 Cl N7 O2","CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(c3)C4CCN(CC4)C(=O)CCl;CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl","InChI=1S/C20H22ClN7O2/c1-12(2)17-18(25-19-13(8-22)9-24-28(19)20(17)30)14-10-23-27(11-14)15-3-5-26(6-4-15)16(29)7-21/h9-12,15,25H,3-7H2,1-2H3","","2017-09-20","2018-04-27","5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2018-05-02"],["U5R","1-(2,6-dideoxy-2-fluoro-5-O-phosphono-beta-D-allofuranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H14 F N2 O8 P","O=C1NC(=O)C=CN1C2OC(C(C2F)O)C(C)OP(O)(O)=O;C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O;CC(C1C(C(C(O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O","InChI=1S/C10H14FN2O8P/c1-4(21-22(17,18)19)8-7(15)6(11)9(20-8)13-3-2-5(14)12-10(13)16/h2-4,6-9,15H,1H3,(H,12,14,16)(H2,17,18,19)/t4-,6-,7+,8-,9-/m1/s1","","2015-09-01","2016-06-24","1-(2,6-dideoxy-2-fluoro-5-O-phosphono-beta-D-allofuranosyl)pyrimidine-2,4(1H,3H)-dione","2016-06-29"],["B7R","4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one","C24 H28 N10 O","CN1CCC(CC1)n2cc(Nc3nc(NC4(C)CC4)c5C(=O)N(C=Cc5n3)c6cncnc6)cn2;CC1(CC1)Nc2c3c(nc(n2)Nc4cnn(c4)C5CCN(CC5)C)C=CN(C3=O)c6cncnc6","InChI=1S/C24H28N10O/c1-24(6-7-24)31-21-20-19(5-10-33(22(20)35)18-12-25-15-26-13-18)29-23(30-21)28-16-11-27-34(14-16)17-3-8-32(2)9-4-17/h5,10-15,17H,3-4,6-9H2,1-2H3,(H2,28,29,30,31)","","2021-12-07","2022-08-22","4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one","2022-05-04"],["B7S","5,7-dihydroxy-4H-1-benzopyran-4-one","C9 H6 O4","C1(C=COc2c1c(cc(c2)O)O)=O;Oc1cc(O)c2C(=O)C=COc2c1;c1c(cc2c(c1O)C(=O)C=CO2)O","InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H","","2017-08-04","2018-08-03","5,7-dihydroxy-4H-1-benzopyran-4-one","2018-08-08"],["U5S","(2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid","C25 H27 F O4","Cc1ccc(C2CC2)c(c3cc(F)c4OCCCc4c3C)c1[CH](OC5CC5)C(O)=O;Cc1ccc(c(c1C(C(=O)O)OC2CC2)c3cc(c4c(c3C)CCCO4)F)C5CC5","InChI=1S/C25H27FO4/c1-13-5-10-18(15-6-7-15)22(21(13)24(25(27)28)30-16-8-9-16)19-12-20(26)23-17(14(19)2)4-3-11-29-23/h5,10,12,15-16,24H,3-4,6-9,11H2,1-2H3,(H,27,28)/t24-/m0/s1","","2023-01-26","2023-06-02","(2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid","2023-06-07"],["U5T","(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one","C16 H15 N3 O2","Cn1cc(cn1)C=C2N=C(OC2=O)c3ccc(C)c(C)c3;Cc1ccc(cc1C)C2=NC(=Cc3cnn(c3)C)C(=O)O2","InChI=1S/C16H15N3O2/c1-10-4-5-13(6-11(10)2)15-18-14(16(20)21-15)7-12-8-17-19(3)9-12/h4-9H,1-3H3/b14-7+","","2021-01-22","2022-02-25","(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one","2022-03-02"],["B7T","(1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine","C23 H27 N3 O2","CO[CH]1CC[C]2(CC1)Cc3ccc(cc3[C]24COC(=N4)N)c5cncc(C)c5;Cc1cc(cnc1)c2ccc3c(c2)C4(COC(=N4)N)C5(C3)CCC(CC5)OC","InChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19-,22-,23-/m0/s1","","2017-09-20","2018-04-13","","2018-04-18"],["U5U","~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine","C15 H15 N4 Pd S","CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd];CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2S1)c4ccccc4","InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-11H,1-2H3,(H,18,20);/q;+1/p-1/b17-14+;","","2023-05-17","2024-04-26","~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine","2024-05-01"],["B7U","(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide","C17 H19 N O","O=C(C(C)c1ccccc1)NC(C)c2ccccc2;C[CH](NC(=O)[CH](C)c1ccccc1)c2ccccc2;CC(c1ccccc1)C(=O)NC(C)c2ccccc2","InChI=1S/C17H19NO/c1-13(15-9-5-3-6-10-15)17(19)18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,18,19)/t13-,14+/m0/s1","","2019-01-21","2019-12-27","(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide","2020-01-01"],["U5V","1-(2-fluorophenyl)methanamine","C7 H8 F N","C(N)c1c(F)cccc1;NCc1ccccc1F;c1ccc(c(c1)CN)F","InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2","","2020-04-23","2021-04-23","1-(2-fluorophenyl)methanamine","2021-04-28"],["B7V","3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide","C17 H18 Cl N5 O3","C(c2cn(C1C(CCOC1)C#N)nc2Nc3cc(OC)c(cc3)Cl)(N)=O;COc1cc(Nc2nn(cc2C(N)=O)[CH]3COCC[CH]3C#N)ccc1Cl;COc1cc(ccc1Cl)Nc2c(cn(n2)C3COCCC3C#N)C(=O)N","InChI=1S/C17H18ClN5O3/c1-25-15-6-11(2-3-13(15)18)21-17-12(16(20)24)8-23(22-17)14-9-26-5-4-10(14)7-19/h2-3,6,8,10,14H,4-5,9H2,1H3,(H2,20,24)(H,21,22)/t10-,14+/m1/s1","","2017-08-04","2017-12-01","3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide","2017-12-06"],["U5W","1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3","C28 H42 O3","CC(C)(O)CCCC1(CC1)C2=CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CC=C2C4(CC4)CCCC(C)(C)O","InChI=1S/C28H42O3/c1-19-21(17-22(29)18-24(19)30)9-8-20-7-5-13-27(4)23(20)10-11-25(27)28(15-16-28)14-6-12-26(2,3)31/h8-9,11,22-24,29-31H,1,5-7,10,12-18H2,2-4H3/b20-8+,21-9-/t22-,23+,24+,27+/m1/s1","(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[1-(4-methyl-4-oxidanyl-pentyl)cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2021-01-22","2022-02-25","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[1-(4-methyl-4-oxidanyl-pentyl)cyclopropyl]-3~{a},5,6,7-tetrahydro-3~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2022-03-02"],["B7W","3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline","C18 H14 N4","Nc1cccc(c1)c2cnc3[nH]cc(c4cccnc4)c3c2;c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4","InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22)","","2017-09-20","2018-08-24","3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline","2018-08-29"],["U5X","(5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine","C21 H16 Cl N3","Clc1ncc(cc1c1cccc2ncccc12)NCc1ccccc1;Clc1ncc(NCc2ccccc2)cc1c3cccc4ncccc34;c1ccc(cc1)CNc2cc(c(nc2)Cl)c3cccc4c3cccn4","InChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2","","2022-08-05","2022-09-02","(5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine","2022-09-07"],["B7X","(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)","C26 H40 N7 O20 P3 S","c1nc(c2c(n1)n(cn2)C3C(O)C(C(COP(=O)(O)OP(OCC(C(O)C(=O)NCCC(NCCSC(CC(=O)CC(O)=O)=O)=O)(C)C)(=O)O)O3)OP(O)(O)=O)N;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O","InChI=1S/C26H40N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-12,14,19-21,25,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,19-,20-,21+,25-/m1/s1","","2019-01-21","2024-09-27","(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)","2019-09-11"],["U5Y","(12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide","C39 H39 F N4 O5","C2(CCc1cccc(c1)Oc6ccc(CC(NC(C(N2)CC(N4CCCC4c3ccccc3)=O)=O)C(=O)NCc5c(F)cccc5)cc6)=O;Fc1ccccc1CNC(=O)[CH]2Cc3ccc(Oc4cccc(CCC(=O)N[CH](CC(=O)N5CCC[CH]5c6ccccc6)C(=O)N2)c4)cc3;c1ccc(cc1)C2CCCN2C(=O)CC3C(=O)NC(Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F","InChI=1S/C39H39FN4O5/c40-32-13-5-4-11-29(32)25-41-38(47)33-23-27-15-18-30(19-16-27)49-31-12-6-8-26(22-31)17-20-36(45)42-34(39(48)43-33)24-37(46)44-21-7-14-35(44)28-9-2-1-3-10-28/h1-6,8-13,15-16,18-19,22,33-35H,7,14,17,20-21,23-25H2,(H,41,47)(H,42,45)(H,43,48)/t33-,34-,35+/m0/s1","","2020-04-23","2021-04-23","(12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide","2021-04-28"],["B7Y","methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate","C17 H22 Cl N O4","COC(=O)[CH](NC(=O)c1cccc(c1)C(=O)CCCCl)C(C)C;CC(C)C(C(=O)OC)NC(=O)c1cccc(c1)C(=O)CCCCl","InChI=1S/C17H22ClNO4/c1-11(2)15(17(22)23-3)19-16(21)13-7-4-6-12(10-13)14(20)8-5-9-18/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,19,21)/t15-/m0/s1","","2023-05-17","2024-09-27","methyl (2~{S})-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate","2024-05-15"],["B7Z","8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C19 H23 N7 O2","CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3nccc4C(=O)NC=Nc34;CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4","InChI=1S/C19H23N7O2/c1-2-16(27)25-9-7-24(8-10-25)6-4-14-11-23-26(12-14)18-17-15(3-5-20-18)19(28)22-13-21-17/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,28)","","2017-09-20","2024-09-27","8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2018-05-02"],["U5Z","1-[(4-fluorophenyl)amino]thiourea","C7 H8 F N3 S","NC(=S)NNc1ccc(F)cc1;c1cc(ccc1NNC(=S)N)F","InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)","","2021-01-25","2022-02-25","1-[(4-fluorophenyl)amino]thiourea","2022-03-02"],["U60","(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid","C25 H28 O4","Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC5CC5)C(O)=O;Cc1ccc(c(c1C(C(=O)O)OC2CC2)c3ccc4c(c3C)CCCO4)C5CC5","InChI=1S/C25H28O4/c1-14-5-10-20(16-6-7-16)23(22(14)24(25(26)27)29-17-8-9-17)19-11-12-21-18(15(19)2)4-3-13-28-21/h5,10-12,16-17,24H,3-4,6-9,13H2,1-2H3,(H,26,27)/t24-/m0/s1","","2023-01-26","2023-06-02","(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid","2023-06-07"],["B80","N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","C22 H23 F N4 O6 S2","Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)CC4CC;CC[CH]1CC(=C(C(=O)N1Cc2ccc(F)cc2)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O;CCC1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O","InChI=1S/C22H23FN4O6S2/c1-3-16-11-18(28)20(22(29)27(16)12-13-4-6-14(23)7-5-13)21-24-17-9-8-15(25-34(2,30)31)10-19(17)35(32,33)26-21/h4-10,16,25,28H,3,11-12H2,1-2H3,(H,24,26)/t16-/m0/s1","","2009-07-29","2011-06-04","N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",""],["U61","2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol","C23 H23 F N6 O4","c1c(ccc(c1)F)c2cn(nn2)CC3C(O)C(C(C(O3)CO)O)n4cc(nn4)c5ccccc5;OC[CH]1O[CH](Cn2cc(nn2)c3ccc(F)cc3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5ccccc5;c1ccc(cc1)c2cn(nn2)C3C(C(OC(C3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O","InChI=1S/C23H23FN6O4/c24-16-8-6-15(7-9-16)17-10-29(27-25-17)12-19-22(32)21(23(33)20(13-31)34-19)30-11-18(26-28-30)14-4-2-1-3-5-14/h1-11,19-23,31-33H,12-13H2/t19-,20+,21+,22-,23-/m0/s1","","2020-04-23","2021-04-02","2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol","2021-04-07"],["B81","(3alpha,8alpha,17beta)-androst-5-ene-3,17-diol","C19 H30 O2","OC4CCC1(C(=CCC2C1CCC3(C2CCC3O)C)C4)C;C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)O)C","InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1","5-Androstenediol","2009-07-29","2021-03-01","(3alpha,8alpha,17beta)-androst-5-ene-3,17-diol",""],["U62","4~{H}-thieno[3,2-c]chromene-2-carboxylic acid","C12 H8 O3 S","OC(=O)c1sc2c(COc3ccccc23)c1;c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2","InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)","","2021-01-25","2022-02-25","4~{H}-thieno[3,2-c]chromene-2-carboxylic acid","2022-03-02"],["B82","2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid","C18 H19 Br N2 O5 S","CCN(CC)[S](=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(O)=O;CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O","InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)","2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid","2009-08-10","2021-03-01","2-[[4-bromo-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid",""],["B83","2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid","C27 H28 N2 O4","C[CH]1C[CH](C)CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(O)=O;CC1CC(CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C","InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)/t18-,19+","2-({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxybenzoyl}amino)benzoic acid","2009-08-10","2021-03-13","2-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-phenoxy-phenyl]carbonylamino]benzoic acid",""],["U63","2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose","C12 H21 F O10","FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O)CO)O)O)O)O","InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12+/m1/s1","","2014-10-06","2020-07-17","2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose","2015-01-14"],["U64","6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile","C25 H23 F2 N5 O2 S","c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N;C[C]1(N=C(N)S[C]2(C[CH]12)C(=O)N3CCOCC3)c4cc(ccc4F)C=C(F)c5ccc(cn5)C#N;CC1(C2CC2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)C=C(c5ccc(cn5)C#N)F","InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1","","2020-04-27","2020-05-29","6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile","2020-06-03"],["B84","(2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide","C26 H33 N5 O4 S2","O=S(=O)(N1CCN(C)CC1)c2ccc(cc2)C(C(=O)Nc3nc4ccc(nc4s3)OC)CC5CCCC5;COc1ccc2nc(NC(=O)[CH](CC3CCCC3)c4ccc(cc4)[S](=O)(=O)N5CCN(C)CC5)sc2n1;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC","InChI=1S/C26H33N5O4S2/c1-30-13-15-31(16-14-30)37(33,34)20-9-7-19(8-10-20)21(17-18-5-3-4-6-18)24(32)29-26-27-22-11-12-23(35-2)28-25(22)36-26/h7-12,18,21H,3-6,13-17H2,1-2H3,(H,27,29,32)/t21-/m1/s1","","2009-08-14","2011-06-04","(2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide",""],["U65","methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate","C13 H10 O3 S","COC(=O)c1sc2c(COc3ccccc23)c1;COC(=O)c1cc2c(s1)-c3ccccc3OC2","InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3","","2021-01-25","2022-02-25","methyl 4~{H}-thieno[3,2-c]chromene-2-carboxylate","2022-03-02"],["B85","benzylphosphonic acid","C7 H9 O3 P","O=P(O)(O)Cc1ccccc1;O[P](O)(=O)Cc1ccccc1;c1ccc(cc1)CP(=O)(O)O","InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)","","2009-08-19","2011-06-04","benzylphosphonic acid",""],["U66","(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIA\nZACYCLONOADECOSINE-9-CARBONITRILE","C27 H27 N5 O2","O=C3N4c6c5cc(OC1CC(=CCC1C#N)Cn2cncc2CCNC3CC4)ccc5ccc6;O=C1[CH]2CCN1c3cccc4ccc(O[CH]5CC(=CC[CH]5C#N)Cn6cncc6CCN2)cc34;c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N","InChI=1S/C27H27N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-4,6-7,13,15,17,20,24,26,30H,5,8-12,16H2/t20-,24+,26?/m1/s1","COMPOUND 66","2002-04-24","2020-06-17","(5S,18R,19R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1~2,5~.1~15,19~.0~9,13~.0~24,28~]hentriaconta-1(27),9,11,15,21,23,25,28-octaene-18-carbonitrile (non-preferred name)",""],["B86","2'-deoxy-5-fluorocytidine","C9 H12 F N3 O4","FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)CO)N;NC1=NC(=O)N(C=C1F)[CH]2C[CH](O)[CH](CO)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O","InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1","","2009-08-19","2011-06-04","2'-deoxy-5-fluorocytidine",""],["U67","4-methylpentan-1-amine","C6 H15 N","CC(C)CCCN;CC(C)CCCN;CC(C)CCCN","InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3","","2020-04-27","2024-09-27","4-methylpentan-1-amine","2020-09-02"],["B87","4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine","C22 H25 N5 O S","O=C(N1CCCC1)CN5CCN(c4ncnc(c3sc2ccccc2c3)c4)CC5;O=C(CN1CCN(CC1)c2cc(ncn2)c3sc4ccccc4c3)N5CCCC5;c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5","InChI=1S/C22H25N5OS/c28-22(27-7-3-4-8-27)15-25-9-11-26(12-10-25)21-14-18(23-16-24-21)20-13-17-5-1-2-6-19(17)29-20/h1-2,5-6,13-14,16H,3-4,7-12,15H2","","2009-08-19","2011-06-04","2-{4-[6-(1-benzothiophen-2-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(pyrrolidin-1-yl)ethanone",""],["U68","4-nitrophenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate","C20 H17 N O5","O=C(Oc1ccc(cc1)[N+]([O-])=O)C(C)c1cc2ccc(OC)cc2cc1;COc1ccc2cc(ccc2c1)[CH](C)C(=O)Oc3ccc(cc3)[N+]([O-])=O;CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)[N+](=O)[O-]","InChI=1S/C20H17NO5/c1-13(20(22)26-18-9-6-17(7-10-18)21(23)24)14-3-4-16-12-19(25-2)8-5-15(16)11-14/h3-13H,1-2H3/t13-/m0/s1","","2021-01-25","2026-04-06","4-nitrophenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate","2021-03-03"],["B88","(2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid","C7 H14 N O6 P","O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O;C[CH](N)[P](O)(=O)C[CH](CC(O)=O)C(O)=O;CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O","InChI=1S/C7H14NO6P/c1-4(8)15(13,14)3-5(7(11)12)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1","","2009-09-15","2011-06-04","(2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid",""],["U69","2-cyclopentylideneethyl dihydrogen phosphate","C7 H13 O4 P","O=P(O)(O)OCC=C1CCCC1;O[P](O)(=O)OCC=C1CCCC1;C1CCC(=CCOP(=O)(O)O)C1","InChI=1S/C7H13O4P/c8-12(9,10)11-6-5-7-3-1-2-4-7/h5H,1-4,6H2,(H2,8,9,10)","","2023-08-30","2024-02-16","2-cyclopentylideneethyl dihydrogen phosphate","2024-02-21"],["B89","(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one","C17 H24 Cl N O4","Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC;CCC(=NOCC=CCl)C1=C(O)C[CH](CC1=O)C2CCOCC2;CCC(=NOCC=CCl)C1=C(CC(CC1=O)C2CCOCC2)O","InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1","tepraloxydim","2009-10-19","2021-03-01","(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one",""],["U6A","N-carboxy-L-threonine","C5 H9 N O5","C(NC(C(C)O)C(=O)O)(O)=O;C[CH](O)[CH](NC(O)=O)C(O)=O;CC(C(C(=O)O)NC(=O)O)O","InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1","","2020-04-27","2024-09-27","N-carboxy-L-threonine","2020-09-23"],["B8B","cobaltcarborane","C6 H7 B18 Co N2 O2 S","N[S](=O)(=O)NCC[C]1234[C]56[B]789[B]15%10[B]7%11%12[B]8%13%14[B]69%15[B]%13%16%17[B]%11%14%18[B]2%10%12[B]3%16%18[Co]4%15%17%19%20[B]%21%22%23[C]%24%25[C]%26%27[B]%24%28%29[B]%21%25%30[B]%28%31%32[B]%26%29%33[B]%19%27%34[B]%31%33%35[B]%22%30%32[B]%20%23%34%35;B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N","InChI=1S/C4H7B9N2O2S.C2B9.Co/c14-18(16,17)15-2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11;1-2-4-5-3(1)7(1)6(1,2)8(2,4)10(4,5)9(3,5,7)11(6,7,8)10;/h15H,1-2H2,(H2,14,16,17);;/q2*-3;+6","","2017-09-21","2019-05-13","","2018-08-01"],["U6B","4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE","C22 H24 N4 O2","O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3(N)CCOCC3;NC1(CCOCC1)C(=O)N[CH](Cc2ccc(cc2)c3ccc(cc3)C#N)C=N;c1cc(ccc1CC(C=N)NC(=O)C2(CCOCC2)N)c3ccc(cc3)C#N","InChI=1S/C22H24N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,15,20,24H,9-13,25H2,(H,26,27)/b24-15+/t20-/m0/s1","","2013-10-31","2024-09-27","4-amino-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]tetrahydro-2H-pyran-4-carboxamide","2014-03-19"],["B8C","(~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid","C21 H25 N4 O15 P","Cc1cc2N[C]3(OC(C(O)=O)=C(O)C(O)=O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)OC(=C(C(=O)O)O)C(=O)O)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C21H25N4O15P/c1-7-3-9-10(4-8(7)2)25(5-11(26)13(28)12(27)6-39-41(36,37)38)18-21(24-9,19(34)23-20(35)22-18)40-15(17(32)33)14(29)16(30)31/h3-4,11-13,24,26-29H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,23,34,35)(H2,36,37,38)/b15-14+/t11-,12-,13-,21-/m0/s1","","2019-01-21","2019-06-14","(~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid","2019-06-19"],["U6C","(5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine","C25 H28 N6 O","N(CCN1CCOCC1)c1n[NH]c2ccc(cc21)c1cc(NCc2ccccc2)cnc1;C(CN1CCOCC1)Nc2n[nH]c3ccc(cc23)c4cncc(NCc5ccccc5)c4;c1ccc(cc1)CNc2cc(cnc2)c3ccc4c(c3)c(n[nH]4)NCCN5CCOCC5","InChI=1S/C25H28N6O/c1-2-4-19(5-3-1)16-28-22-14-21(17-26-18-22)20-6-7-24-23(15-20)25(30-29-24)27-8-9-31-10-12-32-13-11-31/h1-7,14-15,17-18,28H,8-13,16H2,(H2,27,29,30)","","2022-08-05","2022-09-02","(5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine","2022-09-07"],["B8D","4-O-methyl-alpha-D-glucopyranose","C7 H14 O6","OC1C(OC)C(OC(O)C1O)CO;CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO;COC1C(OC(C(C1O)O)O)CO","InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1","4-O-methyl-alpha-D-glucose; 4-O-methyl-D-glucose; 4-O-methyl-glucose","2009-08-18","2020-07-17","4-O-methyl-alpha-D-glucopyranose",""],["U6D","(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline","C28 H33 F4 N3 O","C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C;C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(C)(C)F)c4c(F)cc(OCCN5CC(CF)C5)cc4F;CC1Cc2c3ccccc3[nH]c2C(N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F","InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1","","2020-04-27","2020-06-26","(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline","2020-07-01"],["B8E","methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate","C13 H13 N O2 S","COC(=O)Cc1nc(sc1C)c2ccccc2;Cc1c(nc(s1)c2ccccc2)CC(=O)OC","InChI=1S/C13H13NO2S/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3","","2017-09-22","2018-10-05","methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate","2018-10-10"],["B8F","(5beta)-3-oxours-12-en-28-oic acid","C30 H46 O3","C1C(=O)C(C3C(C1)(C2CC=C4C(C2(C)CC3)(CCC5(C4C(C(CC5)C)C)C(=O)O)C)C)(C)C;C[CH]1CC[C]2(CC[C]3(C)C(=CC[CH]4[C]5(C)CCC(=O)C(C)(C)[CH]5CC[C]34C)[CH]2[CH]1C)C(O)=O;CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O","InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1","Ursonic acid","2019-01-22","2020-06-17","(5beta)-3-oxours-12-en-28-oic acid","2020-01-15"],["U6E","4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide","C16 H18 Cl N7 O S","Cc1csc(NC(=O)[CH]2CC[CH](CC2)n3cnc4c(N)nc(Cl)nc34)n1;Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl","InChI=1S/C16H18ClN7OS/c1-8-6-26-16(20-8)23-14(25)9-2-4-10(5-3-9)24-7-19-11-12(18)21-15(17)22-13(11)24/h6-7,9-10H,2-5H2,1H3,(H2,18,21,22)(H,20,23,25)/t9-,10+","","2021-01-25","2021-10-08","4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide","2021-10-13"],["U6F","5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine","C9 H18 N2 O24 P6","O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H18N2O24P6/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(30-8)3-29-37(19,20)32-39(23,24)34-41(27,28)35-40(25,26)33-38(21,22)31-36(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2022-12-15","2023-12-15","5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine","2023-12-20"],["B8H","[(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H15 N2 O9 P","CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CN1C=C(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1","","2017-09-25","2019-05-06","[(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["U6G","4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide","C24 H20 Cl2 N2 O2","c4(ccc(C(=O)NCc1ccc2c(c1)CCCN2C(=O)c3cccc(c3)Cl)cc4)Cl;Clc1ccc(cc1)C(=O)NCc2ccc3N(CCCc3c2)C(=O)c4cccc(Cl)c4;c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl","InChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29)","","2020-04-28","2021-03-05","4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide","2021-03-10"],["B8I","methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate","C25 H32 N10 O3","COC(=O)N1CCN(CC1)[CH]2CC[CH](CC2)Nc3nc(Nc4cnn(C)c4)nc5C=CN(CC#N)C(=O)c35;Cn1cc(cn1)Nc2nc3c(c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)C(=O)N(C=C3)CC#N","InChI=1S/C25H32N10O3/c1-32-16-18(15-27-32)29-24-30-20-7-9-34(10-8-26)23(36)21(20)22(31-24)28-17-3-5-19(6-4-17)33-11-13-35(14-12-33)25(37)38-2/h7,9,15-17,19H,3-6,10-14H2,1-2H3,(H2,28,29,30,31)/t17-,19-","","2021-12-07","2022-08-22","methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate","2022-05-04"],["U6H","4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide","C24 H25 N7 O2","COc1cccc(NC(=O)[CH]2CC[CH](CC2)n3cnc4c(N)nc(nc34)c5ccncc5)c1;COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5","InChI=1S/C24H25N7O2/c1-33-19-4-2-3-17(13-19)28-24(32)16-5-7-18(8-6-16)31-14-27-20-21(25)29-22(30-23(20)31)15-9-11-26-12-10-15/h2-4,9-14,16,18H,5-8H2,1H3,(H,28,32)(H2,25,29,30)/t16-,18+","","2021-01-25","2021-10-08","4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide","2021-10-13"],["B8J","1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one","C33 H35 F3 N8 O2","c21ccccc1N(C(=O)N2C3CCN(CC3)CCCn4c6c(c(n4)c5ccc(cc5)C(F)(F)F)CN(CC6)C(c7ncnc7)=O)C;CN1C(=O)N(C2CCN(CCCn3nc(c4ccc(cc4)C(F)(F)F)c5CN(CCc35)C(=O)c6[nH]cnc6)CC2)c7ccccc17;CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7","InChI=1S/C33H35F3N8O2/c1-40-28-5-2-3-6-29(28)44(32(40)46)24-11-16-41(17-12-24)14-4-15-43-27-13-18-42(31(45)26-19-37-21-38-26)20-25(27)30(39-43)22-7-9-23(10-8-22)33(34,35)36/h2-3,5-10,19,21,24H,4,11-18,20H2,1H3,(H,37,38)","","2017-08-07","2017-12-15","1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one","2017-12-20"],["U6J","(1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H18 O24 P6","C1(OP(O)(=O)O)C(OP(O)(OP(O)(O)=O)=O)C(C(C(O)C1OP(O)(O)=O)OP(O)(O)=O)OP(=O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+","","2020-04-28","2021-02-26","(1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","2021-03-03"],["B8K","7-acetyl, guanosine-5'-monophosphate","C12 H18 N5 O9 P","CC(=O)N1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N;CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C12H18N5O9P/c1-4(18)16-3-17(9-6(16)10(21)15-12(13)14-9)11-8(20)7(19)5(26-11)2-25-27(22,23)24/h5,7-8,11,19-20H,2-3H2,1H3,(H2,22,23,24)(H3,13,14,15,21)/t5-,7-,8-,11-/m1/s1","","2017-09-25","2019-05-06","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["B8L","3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE","C32 H36 N2 O7","O=C(c1cc(OC)ccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)c(c3)C(C)CC;CC[CH](C)c1cc(ccc1O)C(=O)N[CH]2CNCCC[CH]2OC(=O)c3ccc(cc3)C(=O)c4cc(OC)ccc4O;CCC(C)c1cc(ccc1O)C(=O)NC2CNCCCC2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC","InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1","BALANOL ANALOG 8","2003-12-03","2021-03-01","(3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoate",""],["U6K","(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol","C20 H23 N5 O4","N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O;c1cc2ccc(cc2nc1)OCC3C(C(C(O3)N4C=CC5C4NC=NC5N)O)O","InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1","","2021-01-25","2022-02-25","(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol","2022-03-02"],["B8M","(8E,10Z)-HEXADECA-8,10-DIEN-1-OL","C16 H30 O","OCCCCCCC/C=C/C=CCCCCC;CCCCCC=CC=CCCCCCCCO;CCCCCC=CC=CCCCCCCCO","InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-9,17H,2-5,10-16H2,1H3/b7-6-,9-8+","","2009-03-12","2011-06-04","(8E,10Z)-hexadeca-8,10-dien-1-ol",""],["U6L","(1~{R})-1-(3-ethylphenyl)ethane-1,2-diol","C10 H14 O2","CCc1cccc(c1)[CH](O)CO;CCc1cccc(c1)C(CO)O","InChI=1S/C10H14O2/c1-2-8-4-3-5-9(6-8)10(12)7-11/h3-6,10-12H,2,7H2,1H3/t10-/m0/s1","SCHEMBL24015313","2023-09-05","2025-05-23","(1~{R})-1-(3-ethylphenyl)ethane-1,2-diol","2025-05-28"],["U6M","6-methyluridine 5'-(dihydrogen phosphate)","C10 H15 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1C)C(O)C2O;CC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1","","2013-10-29","2013-11-29","6-methyluridine 5'-(dihydrogen phosphate)","2013-12-04"],["B8N","(2~{R})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid","C14 H22 N3 O11 P","CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O;CN1C=C(C(=O)N(C1=O)CCC(C(=O)O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8-,9-,10-,11+/m1/s1","","2017-09-25","2018-01-19","(2~{R})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid","2018-01-24"],["U6N","(2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","C28 H27 Cl N4 O2","CCc1n(CC#CC)c2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc(Cl)c4C;CCc1c(c2c(ncnc2n1CC#CC)NC(Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl","InChI=1S/C28H27ClN4O2/c1-4-6-15-33-23(5-2)24(20-13-10-14-21(29)18(20)3)25-26(30-17-31-27(25)33)32-22(28(34)35)16-19-11-8-7-9-12-19/h7-14,17,22H,5,15-16H2,1-3H3,(H,34,35)(H,30,31,32)/t22-/m1/s1","","2021-01-25","2021-10-08","(2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","2021-10-13"],["B8O","2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","C21 H25 N5 O3","C1(CN(CC(C1)NC2=Nc3c(C(N2C)=O)ncc3)C)c4cc5c(cc4)OCCO5;CN1C[CH](C[CH](C1)c2ccc3OCCOc3c2)NC4=Nc5cc[nH]c5C(=O)N4C;CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5","InChI=1S/C21H25N5O3/c1-25-11-14(13-3-4-17-18(10-13)29-8-7-28-17)9-15(12-25)23-21-24-16-5-6-22-19(16)20(27)26(21)2/h3-6,10,14-15,22H,7-9,11-12H2,1-2H3,(H,23,24)/t14-,15+/m0/s1","","2019-01-22","2019-04-26","2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","2019-05-01"],["U6O","2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C18 H19 N3 O4 S","O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCC=1C(=O)O;Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)c3onc(n3)C4CC4;Cc1c(sc(c1c2nc(no2)C3CC3)NC(=O)C4=C(CCC4)C(=O)O)C","InChI=1S/C18H19N3O4S/c1-8-9(2)26-17(13(8)16-19-14(21-25-16)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)","","2023-05-09","2023-06-09","2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["B8P","3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid","C17 H15 N3 O3","c21ccccc1nc(CCC(=O)O)c(n2)OCc3ccccn3;OC(=O)CCc1nc2ccccc2nc1OCc3ccccn3;c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O","InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22)","","2017-08-07","2017-08-18","3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid","2017-08-23"],["U6Q","(2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","C24 H22 Cl N3 O2 S","CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc(Cl)c4C;CCc1c(c2c(ncnc2s1)NC(Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl","InChI=1S/C24H22ClN3O2S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)28-18(24(29)30)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,29,30)(H,26,27,28)/t18-/m1/s1","","2021-01-25","2021-10-08","(2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","2021-10-13"],["B8Q","3-methyl, cytidine-5'-monophosphate","C10 H18 N3 O8 P","CN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/t5-,6+,7-,8-,9-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",""],["U6R","3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine","C16 H15 N3 O2","COc1ccc(cc1)c2n(O)ccc3nnc(C4CC4)c23;COc1ccc(cc1)c2c-3c(nnc3ccn2O)C4CC4","InChI=1S/C16H15N3O2/c1-21-12-6-4-11(5-7-12)16-14-13(8-9-19(16)20)17-18-15(14)10-2-3-10/h4-10,20H,2-3H2,1H3","","2023-08-30","2024-03-15","3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine","2024-03-20"],["B8R","(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid","C13 H27 N3 O3","C(C(CCCCCCCC(N)C(=O)N(C)C)N)(=O)O;CN(C)C(=O)[CH](N)CCCCCCC[CH](N)C(O)=O;CN(C)C(=O)C(CCCCCCCC(C(=O)O)N)N","InChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1","","2019-01-22","2024-09-27","(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid","2019-02-13"],["U6S","(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide","C22 H20 N6 O","O=C(Nc1cnccc1c1ccccc1)c1ccnn2c(cnc12)NCC1CC1;O=C(Nc1cnccc1c2ccccc2)c3ccnn4c(NCC5CC5)cnc34;c1ccc(cc1)c2ccncc2NC(=O)c3ccnn4c3ncc4NCC5CC5","InChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29)","","2022-08-08","2023-03-17","(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide","2023-03-22"],["B8S","N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide","C34 H33 Cl2 F N6 O3","CN5C(=O)N(C1CCN(CC1)CCCN2C(C(=CC=N2)c4ccc(Cl)c(CNC(=O)c3ccc(cc3)F)c4)=O)c6cc(Cl)ccc56;CN1C(=O)N(C2CCN(CCCN3N=CC=C(C3=O)c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc(Cl)ccc16;CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl","InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44)","","2017-08-07","2017-12-15","N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide","2017-12-20"],["U6T","4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide","C19 H19 F3 N6 O3 S","Nc1ncnc2n(cnc12)[CH]3CC[CH](CC3)C(=O)Nc4ccc(cc4)[S](=O)(=O)C(F)(F)F;c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F","InChI=1S/C19H19F3N6O3S/c20-19(21,22)32(30,31)14-7-3-12(4-8-14)27-18(29)11-1-5-13(6-2-11)28-10-26-15-16(23)24-9-25-17(15)28/h3-4,7-11,13H,1-2,5-6H2,(H,27,29)(H2,23,24,25)/t11-,13+","","2021-01-25","2021-10-08","4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide","2021-10-13"],["B8T","4-methyl, cytidine-5'-monophosphate","C10 H16 N3 O8 P","CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H16N3O8P/c1-11-6-2-3-13(10(16)12-6)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1","","2017-09-25","2019-05-02","[(2~{R},3~{S},4~{R},5~{R})-5-[4-(methylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["U6V","N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","C28 H35 F N4 O3 S","C(c1ccc(F)cc1)N(CCc2ccc(cc2)S(N)(=O)=O)C(CN(CCc3ccccc3)CCCN)=O;NCCCN(CCc1ccccc1)CC(=O)N(CCc2ccc(cc2)[S](N)(=O)=O)Cc3ccc(F)cc3;c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F","InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36)","","2020-04-29","2020-06-19","N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","2020-06-24"],["B8V","(2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol","C35 H46 F3 N5 O2 S","c1(ccc(C(F)(F)F)c(c1)SCCN2CCCCC2)c3nn(c4c3CNCC4)CC(CN5CCC(CC5)c6ccccc6OC)O;COc1ccccc1C2CCN(CC2)C[CH](O)Cn3nc(c4CNCCc34)c5ccc(c(SCCN6CCCCC6)c5)C(F)(F)F;COc1ccccc1C2CCN(CC2)CC(Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O","InChI=1S/C35H46F3N5O2S/c1-45-32-8-4-3-7-28(32)25-12-17-42(18-13-25)23-27(44)24-43-31-11-14-39-22-29(31)34(40-43)26-9-10-30(35(36,37)38)33(21-26)46-20-19-41-15-5-2-6-16-41/h3-4,7-10,21,25,27,39,44H,2,5-6,11-20,22-24H2,1H3/t27-/m0/s1","","2017-08-07","2017-12-15","(2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol","2017-12-20"],["B8W","6-methyl, guanosine-5'-monophosphate","C11 H16 N5 O8 P","COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C11H16N5O8P/c1-22-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1","","2017-09-25","2019-04-30","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["U6W","5-methyl-3~{H}-furan-2-one","C5 H6 O2","CC1=CCC(=O)O1;CC1=CCC(=O)O1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3","alpha-angelica lactone","2021-01-25","2022-07-08","5-methyl-3~{H}-furan-2-one","2022-07-13"],["B8X","2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","C25 H27 N O3 S","CCCc1ccc(cc1[CH]2C[CH]2c3ccccn3)c4ccc(cc4)[S](=O)(=O)CCO;CCCc1ccc(cc1C2CC2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO","InChI=1S/C25H27NO3S/c1-2-5-19-7-8-20(18-9-11-21(12-10-18)30(28,29)15-14-27)16-22(19)23-17-24(23)25-6-3-4-13-26-25/h3-4,6-13,16,23-24,27H,2,5,14-15,17H2,1H3/t23-,24-/m1/s1","","2019-01-24","2019-02-22","2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol","2019-02-27"],["U6X","Levosulpiride","C15 H23 N3 O4 S","CCN1CCC[CH]1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O;CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N","InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1","~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide","2023-05-19","2024-05-10","~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide","2024-05-15"],["U6Y","benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate","C29 H41 N5 O7","CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)C(=O)NC1CC1)N1CC(CC1=O)NC(=O)OCc1ccccc1;CC(C)C[CH](N1C[CH](CC1=O)NC(=O)OCc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC2CC2)O)N3CC(CC3=O)NC(=O)OCc4ccccc4","InChI=1S/C29H41N5O7/c1-17(2)12-23(34-15-21(14-24(34)35)32-29(40)41-16-18-6-4-3-5-7-18)27(38)33-22(13-19-10-11-30-26(19)37)25(36)28(39)31-20-8-9-20/h3-7,17,19-23,25,36H,8-16H2,1-2H3,(H,30,37)(H,31,39)(H,32,40)(H,33,38)/t19-,21-,22-,23-,25+/m0/s1","","2022-08-08","2024-09-27","benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate","2023-04-05"],["B8Y","N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide","C34 H33 Cl2 F N6 O3","C1C(CCN(C1)CCCN2C(C(=NC=C2)c4ccc(Cl)c(CNC(=O)c3ccc(cc3)F)c4)=O)N6C(=O)N(C)c5c6cc(cc5)Cl;CN1C(=O)N(C2CCN(CCCN3C=CN=C(C3=O)c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc(Cl)ccc16;CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl","InChI=1S/C34H33Cl2FN6O3/c1-40-29-10-6-25(35)20-30(29)43(34(40)46)27-11-16-41(17-12-27)14-2-15-42-18-13-38-31(33(42)45)23-5-9-28(36)24(19-23)21-39-32(44)22-3-7-26(37)8-4-22/h3-10,13,18-20,27H,2,11-12,14-17,21H2,1H3,(H,39,44)","","2017-08-07","2017-12-15","N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide","2017-12-20"],["U6Z","1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione","C8 H6 N4 O5","O=C1CN(N=Cc2oc(cc2)[N](=O)=O)C(=O)N1;c1cc(oc1C=NN2CC(=O)NC2=O)N(=O)=O","InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+","Nitrofurantoin","2021-01-25","2021-07-16","1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione","2021-07-21"],["B8Z","~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide","C20 H16 F N3 O4 S2","COc1cc2sc(NC(=O)c3csc(COc4ccc(F)cc4)n3)nc2cc1OC;COc1cc2c(cc1OC)sc(n2)NC(=O)c3csc(n3)COc4ccc(cc4)F","InChI=1S/C20H16FN3O4S2/c1-26-15-7-13-17(8-16(15)27-2)30-20(23-13)24-19(25)14-10-29-18(22-14)9-28-12-5-3-11(21)4-6-12/h3-8,10H,9H2,1-2H3,(H,23,24,25)","","2022-03-26","2024-09-27","~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide","2023-03-22"],["B90","N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine","C23 H22 N7 O P","O=P(c1ccc(cc1)Nc5ncnc2c5ncn2C=Cc3c(ccc4c3cnn4)C)(C)C;Cc1ccc2[nH]ncc2c1C=Cn3cnc4c(Nc5ccc(cc5)[P](C)(C)=O)ncnc34;Cc1ccc2c(c1C=Cn3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2","InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11-30-14-26-21-22(24-13-25-23(21)30)28-16-5-7-17(8-6-16)32(2,3)31/h4-14H,1-3H3,(H,27,29)(H,24,25,28)/b11-10+","","2009-10-29","2011-06-04","N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine",""],["U70","[(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine","C22 H21 Cl2 N7 S","Cc1csc(n1)[C]2(CN)[CH]3CCN(C[CH]23)c4cnc5c([nH]nc5n4)c6cccc(Cl)c6Cl;Cc1csc(n1)C2(C3C2CN(CC3)c4cnc5c([nH]nc5n4)c6cccc(c6Cl)Cl)CN","InChI=1S/C22H21Cl2N7S/c1-11-9-32-21(27-11)22(10-25)13-5-6-31(8-14(13)22)16-7-26-19-18(29-30-20(19)28-16)12-3-2-4-15(23)17(12)24/h2-4,7,9,13-14H,5-6,8,10,25H2,1H3,(H,28,29,30)/t13-,14+,22+/m1/s1","","2023-01-26","2023-04-21","[(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine","2023-04-26"],["U71","(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H19 O27 P7","C1(C(C(OP(O)(O)=O)C(OP(O)(OP(O)(O)=O)=O)C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OP(O)(O)=O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m0/s1","","2020-04-29","2021-02-26","(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","2021-03-03"],["B91","3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide","C29 H25 F3 N8 O","FC(F)(F)c2cc(cc(n1cc(nc1)C)c2)NC(=O)c3cc(c(cc3)C)C=Cn4c5ncnc(c5nc4)NC6CC6;Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(C=Cn4cnc5c(NC6CC6)ncnc45)c3)cc(c2)C(F)(F)F;Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F","InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+","","2009-10-29","2011-06-04","3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide",""],["U72","2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine","C12 H15 N3","CN1Cc2cccc3CCCN(C1=N)c23;CN1Cc2cccc3c2N(C1=N)CCC3","InChI=1S/C12H15N3/c1-14-8-10-5-2-4-9-6-3-7-15(11(9)10)12(14)13/h2,4-5,13H,3,6-8H2,1H3/b13-12+","3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine","2021-01-27","2021-03-12","3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine","2021-03-17"],["B92","(3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid","C29 H35 N5 O9","CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C2CCCC[CH]2N3N1C(=O)N(C[CH](CCC(O)=O)NC(=O)Cc4ccccc4)C3=O;CC(=O)C(CC(=O)O)NC(=O)C1C=C2CCCCC2N3N1C(=O)N(C3=O)CC(CCC(=O)O)NC(=O)Cc4ccccc4","InChI=1S/C29H35N5O9/c1-17(35)21(15-26(39)40)31-27(41)23-14-19-9-5-6-10-22(19)33-28(42)32(29(43)34(23)33)16-20(11-12-25(37)38)30-24(36)13-18-7-3-2-4-8-18/h2-4,7-8,14,20-23H,5-6,9-13,15-16H2,1H3,(H,30,36)(H,31,41)(H,37,38)(H,39,40)/t20-,21-,22-,23-/m0/s1","","2009-11-05","2024-09-27","(3S)-3-[[(5S,10aS)-2-[(2S)-5-hydroxy-5-oxo-2-(2-phenylethanoylamino)pentyl]-1,3-dioxo-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonylamino]-4-oxo-pentanoic acid",""],["U73","N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE","C13 H15 N3 O S","O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2;CC(C)c1sc(NC(=O)Cc2cccnc2)nc1;CC(C)c1cnc(s1)NC(=O)Cc2cccnc2","InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)","","2005-06-06","2025-09-01","N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide",""],["B93","(3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid","C29 H35 N7 O7","CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C(CC2CCCCC2)CN3N1C(=O)N(CCNC(=O)c4ccc5[nH]cnc5c4)C3=O;CC(=O)C(CC(=O)O)NC(=O)C1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5","InChI=1S/C29H35N7O7/c1-17(37)22(14-25(38)39)33-27(41)24-12-19(11-18-5-3-2-4-6-18)15-35-28(42)34(29(43)36(24)35)10-9-30-26(40)20-7-8-21-23(13-20)32-16-31-21/h7-8,12-13,16,18,22,24H,2-6,9-11,14-15H2,1H3,(H,30,40)(H,31,32)(H,33,41)(H,38,39)/t22-,24-/m0/s1","","2009-11-05","2024-09-27","(3S)-3-[[(8S)-2-[2-(1H-benzimidazol-5-ylcarbonylamino)ethyl]-6-(cyclohexylmethyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-8-yl]carbonylamino]-4-oxo-pentanoic acid",""],["U74","3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine","C16 H15 N3 O","COc1ccc(cc1)c2nccc3[nH]nc(C4CC4)c23;COc1ccc(cc1)c2c3c(ccn2)[nH]nc3C4CC4","InChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)15-14-13(8-9-17-15)18-19-16(14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19)","","2023-08-30","2024-03-15","3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine","2024-03-20"],["000","methyl hydrogen carbonate","C2 H4 O3","O=C(O)OC;COC(O)=O;COC(=O)O","InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)","","2010-04-27","2025-08-29","methyl hydrogen carbonate",""],["U75","4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid","C23 H22 N4 O3","CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc(cc3)C(O)=O;CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O","InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)","3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid; UCP1175","2016-01-07","2020-06-17","4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid","2017-01-18"],["001","1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID\n4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER","C35 H42 F2 N2 O6","O=C(N3C(C(=O)OC(CCCc1ccccc1)CCCc2cccnc2)CCCC3)C(F)(F)c4cc(OC)c(OC)c(OC)c4;COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N2CCCC[CH]2C(=O)O[CH](CCCc3ccccc3)CCCc4cccnc4;COc1cc(cc(c1OC)OC)C(C(=O)N2CCCCC2C(=O)OC(CCCc3ccccc3)CCCc4cccnc4)(F)F","InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/s1","FKB-001","2001-11-06","2020-06-17","(1S)-4-phenyl-1-(3-pyridin-3-ylpropyl)butyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate",""],["U76","(3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate","C30 H41 F2 N5 O7","O=C1NCCC1CC(NC(=O)C(CC(C)C)N1CC(CCC1=O)NC(=O)OCc1cc(F)cc(F)c1)C(O)C(=O)NC1CC1;CC(C)C[CH](N1C[CH](CCC1=O)NC(=O)OCc2cc(F)cc(F)c2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC2CC2)O)N3CC(CCC3=O)NC(=O)OCc4cc(cc(c4)F)F","InChI=1S/C30H41F2N5O7/c1-16(2)9-24(28(41)36-23(12-18-7-8-33-27(18)40)26(39)29(42)34-21-3-4-21)37-14-22(5-6-25(37)38)35-30(43)44-15-17-10-19(31)13-20(32)11-17/h10-11,13,16,18,21-24,26,39H,3-9,12,14-15H2,1-2H3,(H,33,40)(H,34,42)(H,35,43)(H,36,41)/t18-,22-,23-,24-,26+/m0/s1","","2022-08-08","2024-09-27","(3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate","2023-04-05"],["002","N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE","C23 H35 N3 O6","O=C(O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C(C)CC)CC(C)C;CC[CH](C)[CH](NC(=O)[CH](CC(=O)NO)Cc1ccccc1)C(=O)N[CH](CC(C)C)C(O)=O;CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(Cc1ccccc1)CC(=O)NO","InChI=1S/C23H35N3O6/c1-5-15(4)20(22(29)24-18(23(30)31)11-14(2)3)25-21(28)17(13-19(27)26-32)12-16-9-7-6-8-10-16/h6-10,14-15,17-18,20,32H,5,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t15-,17+,18-,20-/m0/s1","","2006-02-02","2011-06-04","N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-isoleucyl-L-leucine",""],["U77","N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine","C26 H31 N3 O6 S","c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC(O)=O)=O)Cc3occc3)S(N)(=O)=O;N[S](=O)(=O)c1ccc(CCN(Cc2occc2)C(=O)CN(CCC(O)=O)CCc3ccccc3)cc1;c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3","InChI=1S/C26H31N3O6S/c27-36(33,34)24-10-8-22(9-11-24)13-17-29(19-23-7-4-18-35-23)25(30)20-28(16-14-26(31)32)15-12-21-5-2-1-3-6-21/h1-11,18H,12-17,19-20H2,(H,31,32)(H2,27,33,34)","","2020-04-29","2020-06-19","N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine","2020-06-24"],["003","5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE","C26 H25 N5 O2","O=C3c2c(c1ccncc1)n(nc2N(C(=O)N3C)CC(C)C)Cc5c4ccccc4ccc5;CC(C)CN1C(=O)N(C)C(=O)c2c1nn(Cc3cccc4ccccc34)c2c5ccncc5;CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C","InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3","","2007-02-06","2011-06-04","5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione",""],["U78","~{N}-[2-(2-methylphenyl)ethyl]ethanamide","C11 H15 N O","CC(=O)NCCc1ccccc1C;Cc1ccccc1CCNC(=O)C","InChI=1S/C11H15NO/c1-9-5-3-4-6-11(9)7-8-12-10(2)13/h3-6H,7-8H2,1-2H3,(H,12,13)","","2021-01-26","2021-02-26","~{N}-[2-(2-methylphenyl)ethyl]ethanamide","2021-03-03"],["004","(2S)-amino(phenyl)ethanoic acid","C8 H9 N O2","O=C(O)C(N)c1ccccc1;N[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)N","InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1","L-Phenylglycine","2010-04-27","2024-09-27","(2S)-amino(phenyl)ethanoic acid",""],["U79","methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate","C44 H38 N8 O5 S2","COC(=O)C[CH]1N=C(c2ccc(cc2)c3ccc(cc3)C(=O)NCc4ccc(cc4)[S](=O)(=O)Nc5ccc(C)c6c5[nH]cc6C#N)c7c(C)c(C)sc7n8c(C)nnc18;Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CNC(=O)c4ccc(cc4)c5ccc(cc5)C6=NC(c7nnc(n7-c8c6c(c(s8)C)C)C)CC(=O)OC","InChI=1S/C44H38N8O5S2/c1-24-6-19-35(41-38(24)33(21-45)23-46-41)51-59(55,56)34-17-7-28(8-18-34)22-47-43(54)32-15-11-30(12-16-32)29-9-13-31(14-10-29)40-39-25(2)26(3)58-44(39)52-27(4)49-50-42(52)36(48-40)20-37(53)57-5/h6-19,23,36,46,51H,20,22H2,1-5H3,(H,47,54)/t36-/m0/s1","","2023-01-27","2023-05-12","methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate","2023-05-17"],["005","(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid","C10 H13 N O3","O=C(O)C(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)C(O)=O;c1ccc(cc1)CC(C(C(=O)O)O)N","InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1","","2010-04-27","2024-09-27","(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid",""],["006","(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C35 H41 N3 O6 S","O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(cccc3C)C)Cc4ccccc4)CSC5(C)C;Cc1cccc(C)c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC4c5ccccc5CC4O)(C)C)O)C","InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1","KNI-10006","2008-07-03","2021-03-01","(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["U7A","N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","C29 H34 N4 O3 S","c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC#N)=O)CCc3ccccc3)S(N)(=O)=O;N[S](=O)(=O)c1ccc(CCN(CCc2ccccc2)C(=O)CN(CCC#N)CCc3ccccc3)cc1;c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N","InChI=1S/C29H34N4O3S/c30-19-7-20-32(21-16-25-8-3-1-4-9-25)24-29(34)33(22-17-26-10-5-2-6-11-26)23-18-27-12-14-28(15-13-27)37(31,35)36/h1-6,8-15H,7,16-18,20-24H2,(H2,31,35,36)","","2020-04-29","2020-06-19","N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","2020-06-24"],["007","1-METHYLAMINE-1-BENZYL-CYCLOPENTANE","C12 H17 N","c1c(cccc1)C2(CN)CCCC2;NCC1(CCCC1)c2ccccc2;c1ccc(cc1)C2(CCCC2)CN","InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2","1-(1-PHENYLCYCLOPENTYL)METHANAMINE","2005-06-09","2020-06-17","1-(1-phenylcyclopentyl)methanamine",""],["U7B","2'-deoxy-2'2'-difluorodeoxycytidine","C9 H12 F2 N3 O7 P","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)C2(F)F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)(F)F","InChI=1S/C9H12F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1","[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","2021-01-27","2021-04-02","[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-04-07"],["U7C","5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid","C12 H8 N2 O3","OC(=O)c1cc(on1)c2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)c3cc(no3)C(=O)O","InChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)","","2023-05-21","2024-02-23","5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid","2024-02-28"],["008","(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE","C20 H22 F N3 O2","Fc1ccccc1CC(N)CC(=O)N3C(C(=O)N)Cc2c(cccc2)C3;N[CH](CC(=O)N1Cc2ccccc2C[CH]1C(N)=O)Cc3ccccc3F;c1ccc2c(c1)CC(N(C2)C(=O)CC(Cc3ccccc3F)N)C(=O)N","InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1","","2005-06-09","2011-06-04","(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide",""],["009","(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide","C37 H43 N5 O3","O=C4N(Cc1ccccc1)CC(C(=O)NC(Cc2ccccc2)C(O)CNCc3cccc(N(C)C)c3)(N4)Cc5ccccc5;CN(C)c1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(=O)[C]3(CN(Cc4ccccc4)C(=O)N3)Cc5ccccc5)c1;CN(C)c1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O","InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1","","2008-03-17","2011-06-04","(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide",""],["U7D","1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea","C14 H12 F3 N3 S","Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1;Cc1ccnc(c1)NC(=S)Nc2cccc(c2)C(F)(F)F","InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)","CHEMBL2134995","2023-09-07","2023-12-29","1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea","2024-01-03"],["U7E","5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE","C7 H7 N5 O2 S","N[S](=O)(=O)c1cccc(c1)c2[nH]nnn2;c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2","InChI=1S/C7H7N5O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H2,8,13,14)(H,9,10,11,12)","","2015-06-30","2015-10-16","3-(1H-1,2,3,4-tetrazol-5-yl)benzenesulfonamide","2015-10-21"],["00A","5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine","C17 H17 Cl N5 O8 P","Clc1ccc(cc1)C(=O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)c4ccc(Cl)cc4)[CH](O)[CH]3O;c1cc(ccc1C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)Cl","InChI=1S/C17H17ClN5O8P/c18-9-3-1-8(2-4-9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,27,28)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1","","2008-04-28","2011-06-04","5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine",""],["U7F","[(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid","C13 H17 F3 N O4 P","CC(C)C[CH](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O;CC(C)CC(C(=O)Nc1ccc(cc1)C(F)(F)F)P(=O)(O)O","InChI=1S/C13H17F3NO4P/c1-8(2)7-11(22(19,20)21)12(18)17-10-5-3-9(4-6-10)13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m1/s1","","2023-01-27","2023-12-01","[(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid","2023-12-06"],["00B","(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C6 H11 N O2 S","O=C(O)C1NCSC1(C)C;CC1(C)SCN[CH]1C(O)=O;CC1(C(NCS1)C(=O)O)C","InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1","","2010-04-27","2011-06-04","(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["U7G","N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","C26 H34 N4 O4 S","c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCCN)=O)Cc3occc3)S(N)(=O)=O;NCCCN(CCc1ccccc1)CC(=O)N(CCc2ccc(cc2)[S](N)(=O)=O)Cc3occc3;c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3","InChI=1S/C26H34N4O4S/c27-15-5-16-29(17-13-22-6-2-1-3-7-22)21-26(31)30(20-24-8-4-19-34-24)18-14-23-9-11-25(12-10-23)35(28,32)33/h1-4,6-12,19H,5,13-18,20-21,27H2,(H2,28,32,33)","","2020-04-29","2020-06-19","N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","2020-06-24"],["00C","3-sulfo-D-alanine","C3 H7 N O5 S","O=C(O)C(N)CS(=O)(=O)O;N[CH](C[S](O)(=O)=O)C(O)=O;C(C(C(=O)O)N)S(=O)(=O)O","InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1","D-Cysteine sulfinic acid","2008-12-24","2024-09-27","3-sulfo-D-alanine",""],["U7H","2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one","C27 H29 N5 O2","Cc1nn(C[C](C)(O)C(=O)N2CCN(CC2)c3cccc4cnccc34)cc1c5ccccc5;Cc1c(cn(n1)CC(C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5","InChI=1S/C27H29N5O2/c1-20-24(21-7-4-3-5-8-21)18-32(29-20)19-27(2,34)26(33)31-15-13-30(14-16-31)25-10-6-9-22-17-28-12-11-23(22)25/h3-12,17-18,34H,13-16,19H2,1-2H3/t27-/m0/s1","(2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one","2021-01-28","2021-03-12","(2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one","2021-03-17"],["00D","(2R)-3,3-dimethylbutan-2-amine","C6 H15 N","NC(C)C(C)(C)C;C[CH](N)C(C)(C)C;CC(C(C)(C)C)N","InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1","","2010-04-27","2012-01-13","(2R)-3,3-dimethylbutan-2-amine",""],["U7I","2'-deoxy-2'-fluoro-2'-methyluridine","C10 H13 F N2 O5","O=C1NC(=O)N(C=C1)C1OC(CO)C(O)C1(C)F;C[C]1(F)[CH](O)[CH](CO)O[CH]1N2C=CC(=O)NC2=O;CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F","InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1","PSI-6206","2023-08-30","2024-03-08","2'-deoxy-2'-fluoro-2'-methyluridine","2024-03-13"],["00E","morpholin-4-ylacetic acid","C6 H11 N O3","O=C(O)CN1CCOCC1;OC(=O)CN1CCOCC1;C1COCCN1CC(=O)O","InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)","","2010-04-27","2024-09-27","morpholin-4-ylacetic acid",""],["00F","(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid","C12 H18 N O4 P","O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1;C[CH](C[P](O)(=O)[CH](N)Cc1ccccc1)C(O)=O;CC(CP(=O)(C(Cc1ccccc1)N)O)C(=O)O","InChI=1S/C12H18NO4P/c1-9(12(14)15)8-18(16,17)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m1/s1","","2010-08-16","2012-01-13","(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid",""],["U7J","N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine","C32 H35 N3 O5 S","C(=O)(N(Cc2ccc1ccccc1c2)CCc3ccc(cc3)S(N)(=O)=O)CN(CCc4ccccc4)CCC(O)=O;N[S](=O)(=O)c1ccc(CCN(Cc2ccc3ccccc3c2)C(=O)CN(CCC(O)=O)CCc4ccccc4)cc1;c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3","InChI=1S/C32H35N3O5S/c33-41(39,40)30-14-11-26(12-15-30)17-21-35(23-27-10-13-28-8-4-5-9-29(28)22-27)31(36)24-34(20-18-32(37)38)19-16-25-6-2-1-3-7-25/h1-15,22H,16-21,23-24H2,(H,37,38)(H2,33,39,40)","","2020-04-29","2020-06-19","N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine","2020-06-24"],["U7K","(E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one","C27 H29 N5 O2 S","C[C](O)(CN=C1Sc2cccc3CCCN1c23)C(=O)N4CCN(CC4)c5cccc6cnccc56;CC(CN=C1N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O","InChI=1S/C27H29N5O2S/c1-27(34,18-29-26-32-12-4-7-19-5-3-9-23(35-26)24(19)32)25(33)31-15-13-30(14-16-31)22-8-2-6-20-17-28-11-10-21(20)22/h2-3,5-6,8-11,17,34H,4,7,12-16,18H2,1H3/b29-26+/t27-/m0/s1","(2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one","2021-01-28","2021-03-12","(2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one","2021-03-17"],["00G","5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole","C14 H14 N2 O","O(c1cc2c(cc1)ncc2)CCn3cccc3;C(Cn1cccc1)Oc2ccc3[nH]ccc3c2;c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3","InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2","","2009-01-20","2011-06-04","5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole",""],["U7L","4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid","C14 H12 N2 O4","Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13;Cn1cc(c2c1cccc2)c3c(c(no3)C(=O)O)CO","InChI=1S/C14H12N2O4/c1-16-6-9(8-4-2-3-5-11(8)16)13-10(7-17)12(14(18)19)15-20-13/h2-6,17H,7H2,1H3,(H,18,19)","","2023-05-21","2024-02-23","4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid","2024-02-28"],["00H","3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid","C11 H16 N O4 P","O=C(O)CCP(=O)(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[P](O)(=O)CCC(O)=O;c1ccc(cc1)CC(N)P(=O)(CCC(=O)O)O","InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1","","2010-08-21","2012-01-13","3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid",""],["U7M","1-butyl-3-(4-sulfamoylphenyl)urea","C11 H17 N3 O3 S","CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O;CCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N","InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15)","4-(3-butylureido)benzenesulfonamide","2023-01-27","2024-02-16","1-butyl-3-(4-sulfamoylphenyl)urea","2024-02-21"],["00I","N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine","C30 H35 N5 O6 S","O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4;NC(=N)c1ccc(C[CH](NC(=O)[CH](CCC(O)=O)N[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCCC4)cc1;c1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O)O)C(=O)NC(Cc3ccc(cc3)C(=N)N)C(=O)N4CCCCC4","InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1","","2010-10-19","2024-09-27","N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine",""],["00J","N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE","C26 H27 N3 O5","O=C(NC)c4c5ccc(Oc3ccnc2cc(OCCN1CCOCC1)ccc23)cc5oc4C;CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)ccc12;Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC","InChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30)","PF-00337210","2010-06-30","2020-06-17","N,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide",""],["U7O","5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one","C18 H22 N4 O3","CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O;Cc1c(ccc2c1N(C(=O)N2C)C(C)C)C(=O)c3c(nn(c3O)C)C","InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3","","2023-05-24","2024-05-03","5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one","2024-05-08"],["U7P","(8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one","C24 H29 N O","C35C2C(C)(C(c1cnccc1)=CC2)CCC3C4(C(=CC(=O)CC4)CC5)C;C[C]12CCC(=O)C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5;CC12CCC(=O)C=C1CCC3C2CCC4(C3CC=C4c5cccnc5)C","InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1","3-keto-delta4-abiraterone analog","2020-04-30","2021-04-30","(8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one","2021-05-05"],["00K","(1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide","C28 H44 N6 O4","O=C(NC1CCCCC1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCCN;NCCCC[CH](NC(=O)[CH]1CCN2CC[C](N)(Cc3ccccc3)C(=O)N12)[CH](O)C(=O)NC4CCCCC4;c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C(=O)NC(CCCCN)C(C(=O)NC4CCCCC4)O)N","InChI=1S/C28H44N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-24,35H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,24-,28+/m0/s1","MOL-106","2010-10-27","2024-09-27","(1S,7S)-7-amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide",""],["U7Q","~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine","C15 H10 F4 N2","Fc1ccc(cc1)C#CCNc2ccnc(c2)C(F)(F)F;c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F","InChI=1S/C15H10F4N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,8H2,(H,20,21)","","2021-01-28","2021-10-01","~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine","2021-10-06"],["00L","(1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide","C30 H42 N8 O4","O=C(NCCc1ccccc1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NC(=O)[CH]1CCN2CC[C](N)(Cc3ccccc3)C(=O)N12)[CH](O)C(=O)NCCc4ccccc4;c1ccc(cc1)CCNC(=O)C(C(CCCNC(=N)N)NC(=O)C2CCN3N2C(=O)C(CC3)(Cc4ccccc4)N)O","InChI=1S/C30H42N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-25,39H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,25-,30+/m0/s1","MOL-126","2010-10-28","2024-09-27","(1S,7S)-7-amino-7-benzyl-N-{(2S,3S)-6-carbamimidamido-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]hexan-3-yl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide",""],["00M","(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid","C10 H13 N O3","O=C(O)C(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)C(O)=O;c1ccc(cc1)CC(C(C(=O)O)O)N","InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m0/s1","","2010-07-16","2024-09-27","(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid",""],["U7R","(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one","C22 H21 F N4 O4 S","FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OC)S(C)(=O)=O)c2c1;COc1ccc(cc1C2=CN(C)C(=O)c3ccc(cc23)c4cn(CCF)nn4)[S](C)(=O)=O;CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OC)S(=O)(=O)C","InChI=1S/C22H21FN4O4S/c1-26-12-19(18-11-15(32(3,29)30)5-7-21(18)31-2)17-10-14(4-6-16(17)22(26)28)20-13-27(9-8-23)25-24-20/h4-7,10-13H,8-9H2,1-3H3","","2022-08-10","2023-03-24","(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one","2023-03-29"],["U7S","2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one","C20 H21 Br F N3 O S","c3(c(Br)c(c(CNCCCNC=1Nc2c(C(C=1)=O)cccc2)s3)C)C(=C)F;Cc1c(Br)c(sc1CNCCCNC2=CC(=O)c3ccccc3N2)C(F)=C;Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2","InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)","","2020-04-30","2021-04-16","2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one","2021-04-21"],["00N","(1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra\nzolo[1,2-a]pyridazine-1-carboxamide","C24 H34 N8 O3 S","O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4;NC(=N)NCCC[CH](NC(=O)[CH]1CCN2CC[C](N)(Cc3ccccc3)C(=O)N12)[CH](O)c4sccn4;c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C(=O)NC(CCCNC(=N)N)C(c4nccs4)O)N","InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1","MOL-127","2010-10-28","2024-09-27","(1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide",""],["U7T","[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite","C12 H14 N5 O6 P","O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23;c1cn2cnc3c(c2n1)NC(=O)N3C4CC(C(O4)COP(O)O)O","InChI=1S/C12H14N5O6P/c18-6-3-8(23-7(6)4-22-24(20)21)17-11-9(15-12(17)19)10-13-1-2-16(10)5-14-11/h1-2,5-8,18,20-21H,3-4H2,(H,15,19)/t6-,7+,8+/m0/s1","7,8-dihydro-8-oxo-1,N6-ethenoadenine","2021-01-28","2022-02-25","[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite","2022-03-02"],["00O","beta-phenyl-D-phenylalanine","C15 H15 N O2","O=C(O)C(N)C(c1ccccc1)c2ccccc2;N[CH](C(c1ccccc1)c2ccccc2)C(O)=O;c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N","InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m1/s1","","2010-11-12","2012-01-13","beta-phenyl-D-phenylalanine",""],["U7U","Mn-Mo(6)-O(24)-C(10) cluster","C10 H18 Mn Mo6 O24","CC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%13([O-])([O-])O[Mo]%14%15([O-])([O-])O[Mo]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%10)[O++]5%16CC(C)(C[O++]6%11%12)C[O++]7%13%14)[O++]8%15C2;CC12C[O+2]34[Mn]5678[O+2]9(C1)[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41([O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]44([O+2]8(C2)[Mo]3(O1)(O4)([O-])[O-])([O-])[O-])([O-])[O-])C)([O-])[O-])([O-])[O-])([O-])[O-]","InChI=1S/2C5H9O3.Mn.6Mo.18O/c2*1-5(2-6,3-7)4-8;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-4H2,1H3;;;;;;;;;;;;;;;;;;;;;;;;;/q2*+6;;;;;;;;;;;;;;12*-1","methyl-functionalised Anderson-Evans polyoxometalate","2022-11-30","2023-03-03","","2023-03-08"],["00P","(5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide","C22 H29 N5 O5 S","O=S(=O)(c1ccccc1)CCN2C(=O)N3N(C2=O)C(C=CC3)C(=O)NCC4CCC(N)CC4;N[CH]1CC[CH](CC1)CNC(=O)[CH]2C=CCN3N2C(=O)N(CC[S](=O)(=O)c4ccccc4)C3=O;c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=CC(N3C2=O)C(=O)NCC4CCC(CC4)N","InChI=1S/C22H29N5O5S/c23-17-10-8-16(9-11-17)15-24-20(28)19-7-4-12-26-21(29)25(22(30)27(19)26)13-14-33(31,32)18-5-2-1-3-6-18/h1-7,16-17,19H,8-15,23H2,(H,24,28)/t16-,17-,19-/m0/s1","","2010-10-28","2011-07-13","(5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide",""],["00Q","D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide","C27 H35 N7 O3 S","O=C(N1CCCC1C(=O)NC(CCCNC(=[N@H])N)C(O)c2nc3ccccc3s2)C(N)Cc4ccccc4;N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCNC(N)=N)[CH](O)c3sc4ccccc4n3;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(c3nc4ccccc4s3)O)N","InChI=1S/C27H35N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21,23,35H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20+,21+,23+/m1/s1","RWJ-30353","2010-10-28","2024-09-27","D-phenylalanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-prolinamide",""],["U7V","Tedizolid","C17 H15 F N6 O3","c2cc(c1nn(C)nn1)ncc2c3c(F)cc(cc3)N4CC(OC4=O)CO;Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[CH](CO)OC4=O;Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CO","InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1","torezolid; Sivextro, TR-700","2020-04-30","2020-06-17","(5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one","2020-06-03"],["U7W","2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone","C16 H16 N4 O S","C[CH]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34;CC1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3","InChI=1S/C16H16N4OS/c1-11-12-7-9-22-15(12)6-8-19(11)16(21)10-20-14-5-3-2-4-13(14)17-18-20/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m0/s1","","2021-01-28","2022-02-18","2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone","2022-02-23"],["00R","(5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide","C24 H29 N7 O5 S","O=S(=O)(c1ccccc1)CCN2C(=O)N3N(C2=O)C(C=CC3)C(=O)NC5CCC(c4cnc(N)n4)CC5;Nc1[nH]c(cn1)[CH]2CC[CH](CC2)NC(=O)[CH]3C=CCN4N3C(=O)N(CC[S](=O)(=O)c5ccccc5)C4=O;c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=CC(N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N","InChI=1S/C24H29N7O5S/c25-22-26-15-19(28-22)16-8-10-17(11-9-16)27-21(32)20-7-4-12-30-23(33)29(24(34)31(20)30)13-14-37(35,36)18-5-2-1-3-6-18/h1-7,15-17,20H,8-14H2,(H,27,32)(H3,25,26,28)/t16-,17-,20-/m0/s1","","2010-10-28","2011-07-13","(5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide",""],["U7X","4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one","C24 H19 F2 N5 O2","Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(OC(F)F)cc6;Cn1cc2cc(ccc2n1)C3=Cc4c(c([nH]n4)C5CC5)N(C3=O)c6ccc(cc6)OC(F)F","InChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28)","","2023-08-30","2024-03-15","4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one","2024-03-20"],["00S","4-(aminomethyl)benzenecarboximidamide","C8 H11 N3","[N@H]=C(c1ccc(cc1)CN)N;NCc1ccc(cc1)C(N)=N;c1cc(ccc1CN)C(=N)N","InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)","","2010-11-12","2024-09-27","4-(aminomethyl)benzenecarboximidamide",""],["U7Y","Tedizolid isomer","C17 H15 F N6 O3","c4(c1ncc(cc1)c2c(cc(cc2)N3C(=O)OC(C3)CO)F)n(C)nnn4;Cn1nnnc1c2ccc(cn2)c3ccc(cc3F)N4C[CH](CO)OC4=O;Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CO","InChI=1S/C17H15FN6O3/c1-23-16(20-21-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1","(5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one","2020-04-30","2021-03-13","(5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one","2020-06-03"],["00T","(4-chlorobenzene-1,2-diyl)dimethanamine","C8 H11 Cl N2","Clc1cc(c(cc1)CN)CN;NCc1ccc(Cl)cc1CN;c1cc(c(cc1Cl)CN)CN","InChI=1S/C8H11ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2","","2010-11-12","2012-01-13","(4-chlorobenzene-1,2-diyl)dimethanamine",""],["00U","(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid","C15 H19 N3 O3","O=C(O)C2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3;N[C]1(CCN2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3;c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C(=O)O)N","InChI=1S/C15H19N3O3/c16-15(10-11-4-2-1-3-5-11)7-9-17-8-6-12(13(19)20)18(17)14(15)21/h1-5,12H,6-10,16H2,(H,19,20)/t12-,15+/m0/s1","","2010-11-12","2012-01-13","(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid",""],["U7Z","4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide","C18 H18 Cl N3 O4 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl;c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl","InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26)","4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative","2021-01-28","2021-07-09","4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide","2021-07-14"],["U81","5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6H)-one","C19 H19 Br2 N3 O2 S","c1(Br)cc(Br)cc2c1OCCC2NCCCNC3=CC(c4c(N3)ccs4)=O;Brc1cc(Br)c2OCC[CH](NCCCNC3=CC(=O)c4sccc4N3)c2c1;c1csc2c1NC(=CC2=O)NCCCNC3CCOc4c3cc(cc4Br)Br","InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1","","2020-04-30","2021-04-16","5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(4H)-one","2021-04-21"],["00V","(2S,3S)-3,7-diamino-2-hydroxyheptanoic acid","C7 H16 N2 O3","O=C(O)C(O)C(N)CCCCN;NCCCC[CH](N)[CH](O)C(O)=O;C(CCN)CC(C(C(=O)O)O)N","InChI=1S/C7H16N2O3/c8-4-2-1-3-5(9)6(10)7(11)12/h5-6,10H,1-4,8-9H2,(H,11,12)/t5-,6-/m0/s1","","2010-11-12","2012-01-13","(2S,3S)-3,7-diamino-2-hydroxyheptanoic acid",""],["U82","3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine","C20 H19 N3 O","CC(C)(C)c1ccc(cc1)c2coc3ccc(nc23)c4c[nH]nc4;CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4","InChI=1S/C20H19N3O/c1-20(2,3)15-6-4-13(5-7-15)16-12-24-18-9-8-17(23-19(16)18)14-10-21-22-11-14/h4-12H,1-3H3,(H,21,22)","3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine","2021-01-28","2021-02-26","3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine","2021-03-03"],["00W","3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid","C7 H16 N4 O3","O=C(O)C(O)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)[CH](O)C(O)=O;C(CC(C(C(=O)O)O)N)CNC(=N)N","InChI=1S/C7H16N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1","","2010-11-12","2011-06-04","3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid",""],["00X","(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol","C9 H11 N O","OC2Cc1ccccc1C2N;N[CH]1[CH](O)Cc2ccccc12;c1ccc2c(c1)CC(C2N)O","InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1","","2010-07-16","2012-01-13","(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol",""],["U83","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C37 H44 Cl N O8 S","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4sc(Cl)cc4)c5cccc(OCC(O)=O)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(c4ccc(s4)Cl)C5CCCCC5","InChI=1S/C37H44ClNO8S/c1-44-30-17-15-24(21-31(30)45-2)14-16-29(26-11-8-12-27(22-26)46-23-34(40)41)47-37(43)28-13-6-7-20-39(28)36(42)35(25-9-4-3-5-10-25)32-18-19-33(38)48-32/h8,11-12,15,17-19,21-22,25,28-29,35H,3-7,9-10,13-14,16,20,23H2,1-2H3,(H,40,41)/t28-,29+,35+/m0/s1","","2023-01-30","2023-04-21","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2023-04-26"],["U85","1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium","C26 H26 N7","N1=C2C(N=C1)=C(N=CN2Cc5ccc(c3ccc(cc3)C[n+]4ccc(N(C)C)cc4)cc5)N;CN(C)c1cc[n+](Cc2ccc(cc2)c3ccc(Cn4cnc(N)c5ncnc45)cc3)cc1;CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N","InChI=1S/C26H26N7/c1-31(2)23-11-13-32(14-12-23)15-19-3-7-21(8-4-19)22-9-5-20(6-10-22)16-33-18-30-25(27)24-26(33)29-17-28-24/h3-14,17-18H,15-16,27H2,1-2H3/q+1","","2013-06-04","2014-09-05","1-({4'-[(6-amino-3H-purin-3-yl)methyl]biphenyl-4-yl}methyl)-4-(dimethylamino)pyridinium","2013-06-19"],["00Y","1-[(4S,5S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine","C9 H17 N5 O S","OC(c1nccs1)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)[CH](O)c1sccn1;c1csc(n1)C(C(CCCNC(=N)N)N)O","InChI=1S/C9H17N5OS/c10-6(2-1-3-14-9(11)12)7(15)8-13-4-5-16-8/h4-7,15H,1-3,10H2,(H4,11,12,14)/t6-,7-/m0/s1","","2010-11-12","2012-01-13","1-[(4S,5S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine",""],["U86","3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid","C20 H20 N4 O2","CCc1nc(N)nc(N)c1Cc2ccc(cc2)c3cccc(c3)C(O)=O;CCc1c(c(nc(n1)N)N)Cc2ccc(cc2)c3cccc(c3)C(=O)O","InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)10-12-6-8-13(9-7-12)14-4-3-5-15(11-14)19(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H4,21,22,23,24)","","2023-05-24","2023-08-18","3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid","2023-08-23"],["010","phenylmethanol","C7 H8 O","OCc1ccccc1;OCc1ccccc1;c1ccc(cc1)CO","InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2","","2010-11-15","2024-09-27","phenylmethanol","2013-12-25"],["U87","5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine","C26 H34 Cl2 N8 O5","C(=O)(O)C(N)CCN(CCCC1c2c(CNC1)c(c(cc2)Cl)Cl)CC3C(C(C(O3)n5c4ncnc(c4nc5)N)O)O;N[CH](CCN(CCC[CH]1CNCc2c(Cl)c(Cl)ccc12)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1cc(c(c2c1C(CNC2)CCCN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)Cl)Cl","InChI=1S/C26H34Cl2N8O5/c27-16-4-3-14-13(8-31-9-15(14)19(16)28)2-1-6-35(7-5-17(29)26(39)40)10-18-21(37)22(38)25(41-18)36-12-34-20-23(30)32-11-33-24(20)36/h3-4,11-13,17-18,21-22,25,31,37-38H,1-2,5-10,29H2,(H,39,40)(H2,30,32,33)/t13-,17-,18+,21+,22+,25+/m0/s1","","2020-05-01","2020-07-31","5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine","2020-08-05"],["011","7-aminoheptanoic acid","C7 H15 N O2","O=C(O)CCCCCCN;NCCCCCCC(O)=O;C(CCCN)CCC(=O)O","InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)","","2010-11-16","2024-09-27","7-aminoheptanoic acid",""],["U88","5-nitro-1,3-thiazole","C3 H2 N2 O2 S","O=[N](=O)c1scnc1;c1c(scn1)N(=O)=O","InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H","halicin","2021-01-28","2024-09-27","5-nitro-1,3-thiazole","2021-03-03"],["012","(4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide","C31 H39 N5 O4","O=C3NC(C(=O)NC(Cc1ccccc1)C(O)CNCc2cccc(N(C)C)c2)CN3Cc4cc(OC)ccc4;COc1cccc(CN2C[CH](NC2=O)C(=O)N[CH](Cc3ccccc3)[CH](O)CNCc4cccc(c4)N(C)C)c1;CN(C)c1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3CN(C(=O)N3)Cc4cccc(c4)OC)O","InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1","(S)-1-(3-methoxy-benzyl)-2-oxo-imidazolidine-4-carboxylic acid[(1S,2R)-1-benzyl-3-(3-dimethylamino-benzylamino)-2-hydroxy-propyl]-amide","2008-03-17","2021-03-13","(4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide",""],["U89","N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID","C27 H38 N7 O12 P S","O=C1C(=C(N=C(N)N1)N)CCCN(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)C(=O)CSCC(=O)NCCCCOP(=O)(O)O;NC1=NC(=C(CCCN(C(=O)CSCC(=O)NCCCCO[P](O)(O)=O)c2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1)N;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O","InChI=1S/C27H38N7O12PS/c28-23-18(25(40)33-27(29)32-23)4-3-12-34(21(36)15-48-14-20(35)30-11-1-2-13-46-47(43,44)45)17-7-5-16(6-8-17)24(39)31-19(26(41)42)9-10-22(37)38/h5-8,19H,1-4,9-15H2,(H,30,35)(H,31,39)(H,37,38)(H,41,42)(H2,43,44,45)(H5,28,29,32,33,40)/t19-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](12,12-dihydroxy-12-oxido-5-oxo-11-oxa-3-thia-6-aza-12-phosphadodecan-1-oyl)amino}phenyl)carbonyl]-L-glutamic acid",""],["013","1,3-thiazol-5-ylmethyl hydrogen carbonate","C5 H5 N O3 S","O=C(O)OCc1scnc1;OC(=O)OCc1scnc1;c1c(scn1)COC(=O)O","InChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8)","","2010-12-10","2012-01-13","1,3-thiazol-5-ylmethyl hydrogen carbonate",""],["U8B","(2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","C22 H29 N5 O9 S2","N[CH](CCC(=O)N[CH](CS[C]1(Cc2ccccc2)NC(=O)[C](S)(CO)NC1=O)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)CC2(C(=O)NC(C(=O)N2)(CO)S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C22H29N5O9S2/c23-13(18(33)34)6-7-15(29)25-14(17(32)24-9-16(30)31)10-38-22(8-12-4-2-1-3-5-12)20(36)26-21(37,11-28)19(35)27-22/h1-5,13-14,28,37H,6-11,23H2,(H,24,32)(H,25,29)(H,26,36)(H,27,35)(H,30,31)(H,33,34)/t13-,14-,21+,22+/m0/s1","","2021-01-28","2021-05-07","(2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","2021-05-12"],["014","1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid","C11 H6 Cl F N4 O2","O=C(O)c1cn(nc1)c2nc3c(n2)cc(F)c(Cl)c3;OC(=O)c1cnn(c1)c2[nH]c3cc(F)c(Cl)cc3n2;c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O","InChI=1S/C11H6ClFN4O2/c12-6-1-8-9(2-7(6)13)16-11(15-8)17-4-5(3-14-17)10(18)19/h1-4H,(H,15,16)(H,18,19)","","2010-09-15","2011-06-04","1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid",""],["015","(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol","C18 H24 N2 O","OC(C(N)Cc1ccccc1)CC(N)Cc2ccccc2;N[CH](C[CH](O)[CH](N)Cc1ccccc1)Cc2ccccc2;c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)N","InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1","","2010-12-10","2012-01-13","(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol",""],["U8C","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C37 H45 N O8 S","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4sccc4)c5cccc(OCC(O)=O)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(c4cccs4)C5CCCCC5","InChI=1S/C37H45NO8S/c1-43-31-19-17-25(22-32(31)44-2)16-18-30(27-12-8-13-28(23-27)45-24-34(39)40)46-37(42)29-14-6-7-20-38(29)36(41)35(33-15-9-21-47-33)26-10-4-3-5-11-26/h8-9,12-13,15,17,19,21-23,26,29-30,35H,3-7,10-11,14,16,18,20,24H2,1-2H3,(H,39,40)/t29-,30+,35+/m0/s1","","2023-01-30","2023-04-21","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2023-04-26"],["U8D","(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid","C22 H27 N2 O5 P","O=P(O)(O)CCCOc1cc2c(cc1)n(c(c2CC(=O)N)CC)Cc3ccccc3;CCc1n(Cc2ccccc2)c3ccc(OCCC[P](O)(O)=O)cc3c1CC(N)=O;CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N","InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)","","2011-10-31","2012-10-12","(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid","2012-10-12"],["016","(4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-\ninden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C35 H41 N3 O6 S","O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(cccc3C)C)Cc4ccccc4)CSC5(C)C;Cc1cccc(C)c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC4c5ccccc5CC4O)(C)C)O)C","InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30+,32+/m0/s1","KNI-10772","2010-07-12","2020-06-17","(4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["U8E","4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one","C23 H19 F2 N3 O3","COc1ccc(cc1)C2=Cc3n[nH]c(C4CC4)c3N(C2=O)c5ccc(OC(F)F)cc5;COc1ccc(cc1)C2=Cc3c(c([nH]n3)C4CC4)N(C2=O)c5ccc(cc5)OC(F)F","InChI=1S/C23H19F2N3O3/c1-30-16-8-4-13(5-9-16)18-12-19-21(20(27-26-19)14-2-3-14)28(22(18)29)15-6-10-17(11-7-15)31-23(24)25/h4-12,14,23H,2-3H2,1H3,(H,26,27)","","2023-08-30","2024-03-15","4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one","2024-03-20"],["017","(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE","C27 H37 N3 O7 S","O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1","Darunavir; TMC114; UIC-94017","2004-01-27","2020-05-22","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["U8G","(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium","C14 H23 N3 O4 Rh","c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C)(C)C)=O;COC(=O)C(Cc1c[n](C)c([Rh])n1C)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC","InChI=1S/C14H23N3O4.Rh/c1-14(2,3)21-13(19)15-11(12(18)20-6)7-10-8-16(4)9-17(10)5;/h8,11H,7H2,1-6H3,(H,15,19);","","2020-05-04","2020-12-11","(5-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-1H-imidazol-3-ium-2-yl)rhodium","2020-12-16"],["018","2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline","C12 H9 F3 N2 O2 S","FC(F)(F)c1ccc(c([N+]([O-])=O)c1)NCc2ccsc2;[O-][N+](=O)c1cc(ccc1NCc2cscc2)C(F)(F)F;c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2","InChI=1S/C12H9F3N2O2S/c13-12(14,15)9-1-2-10(11(5-9)17(18)19)16-6-8-3-4-20-7-8/h1-5,7,16H,6H2","","2009-05-07","2011-06-04","2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline",""],["U8H","6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione","C11 H11 N3 O S2","COc1ccc(cc1)CC1=NNC(=S)NC1=S;COc1ccc(CC2=NNC(=S)NC2=S)cc1;COc1ccc(cc1)CC2=NNC(=S)NC2=S","InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)6-9-10(16)12-11(17)14-13-9/h2-5H,6H2,1H3,(H2,12,14,16,17)","","2023-05-09","2023-06-09","6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione","2023-06-14"],["019","methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid","C9 H14 N2 O2 S","O=C(O)N(Cc1nc(sc1)C(C)C)C;CC(C)c1scc(CN(C)C(O)=O)n1;CC(C)c1nc(cs1)CN(C)C(=O)O","InChI=1S/C9H14N2O2S/c1-6(2)8-10-7(5-14-8)4-11(3)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)","","2010-12-10","2012-01-13","methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid",""],["U8I","4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid","C20 H20 N4 O2","CCc1nc(N)nc(N)c1Cc2cccc(c2)c3ccc(cc3)C(O)=O;CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3ccc(cc3)C(=O)O","InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)11-12-4-3-5-15(10-12)13-6-8-14(9-7-13)19(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H4,21,22,23,24)","","2023-05-24","2023-08-18","4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid","2023-08-23"],["01A","4-Chlorophenacyl-coenzyme A","C29 H41 Cl N7 O17 P3 S","Clc1ccc(cc1)C(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(Cl)cc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O","InChI=1S/C29H41ClN7O17P3S/c1-29(2,24(41)27(42)33-8-7-20(39)32-9-10-58-12-18(38)16-3-5-17(30)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)37-15-36-21-25(31)34-14-35-26(21)37/h3-6,14-15,19,22-24,28,40-41H,7-13H2,1-2H3,(H,32,39)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1","","2008-04-28","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["U8J","N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide","C20 H21 N7 O","c1(ccc(C(=O)NC)cc1)Nc2nc(c3c(n2)ncc3)c4cn(CCC)nc4;CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C(=O)NC)nc4[nH]ccc24;CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC","InChI=1S/C20H21N7O/c1-3-10-27-12-14(11-23-27)17-16-8-9-22-18(16)26-20(25-17)24-15-6-4-13(5-7-15)19(28)21-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,28)(H2,22,24,25,26)","","2020-05-04","2021-04-30","N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide","2021-05-05"],["01B","(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid","C10 H13 N O3","O=C(O)C(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)C(O)=O;c1ccc(cc1)CC(C(C(=O)O)O)N","InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1","","2010-06-18","2024-09-27","(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid",""],["U8K","3-(phenylsulfonylamino)pyridine-2-carboxylic acid","C12 H10 N2 O4 S","OC(=O)c1ncccc1N[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O","InChI=1S/C12H10N2O4S/c15-12(16)11-10(7-4-8-13-11)14-19(17,18)9-5-2-1-3-6-9/h1-8,14H,(H,15,16)","","2017-01-24","2018-02-23","3-(phenylsulfonylamino)pyridine-2-carboxylic acid","2018-02-28"],["01C","(4S)-4-amino-1,1,1,2,2-pentafluoro-5-(1H-indol-3-yl)pentan-3-one","C13 H11 F5 N2 O","FC(F)(F)C(F)(F)C(=O)C(N)Cc2c1ccccc1nc2;N[CH](Cc1c[nH]c2ccccc12)C(=O)C(F)(F)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)C(C(F)(F)F)(F)F)N","InChI=1S/C13H11F5N2O/c14-12(15,13(16,17)18)11(21)9(19)5-7-6-20-10-4-2-1-3-8(7)10/h1-4,6,9,20H,5,19H2/t9-/m0/s1","","2011-02-22","2012-01-13","(4S)-4-amino-1,1,1,2,2-pentafluoro-5-(1H-indol-3-yl)pentan-3-one",""],["U8L","(1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde","C30 H23 N O5","Oc1ccc(NC2C#CCCC#CC3C(=CC(C)=C2C3C=O)OC)c2c1C(=O)c1ccccc1C2=O;COC1=CC(=C2[CH](Nc3ccc(O)c4C(=O)c5ccccc5C(=O)c34)C#CCCC#C[CH]1[CH]2C=O)C;CC1=C2C(C#CCCC#CC(C2C=O)C(=C1)OC)Nc3ccc(c4c3C(=O)c5ccccc5C4=O)O","InChI=1S/C30H23NO5/c1-17-15-25(36-2)18-9-5-3-4-6-12-22(26(17)21(18)16-32)31-23-13-14-24(33)28-27(23)29(34)19-10-7-8-11-20(19)30(28)35/h7-8,10-11,13-16,18,21-22,31,33H,3-4H2,1-2H3/t18-,21-,22-/m0/s1","","2022-08-10","2022-11-04","(1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde","2022-11-09"],["01E","(2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]-\n1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide","C31 H44 I N5 O6","O=C(n1cccc1)CC(C(=O)NC(C)C(O)C(=O)NCc2ccc(I)cc2)NC(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C;C[CH](NC(=O)[CH](CC(=O)n1cccc1)NC(=O)[CH](NC(=O)CC(C)(C)C)C(C)(C)C)[CH](O)C(=O)NCc2ccc(I)cc2;CC(C(C(=O)NCc1ccc(cc1)I)O)NC(=O)C(CC(=O)n2cccc2)NC(=O)C(C(C)(C)C)NC(=O)CC(C)(C)C","InChI=1S/C31H44IN5O6/c1-19(25(40)28(42)33-18-20-10-12-21(32)13-11-20)34-27(41)22(16-24(39)37-14-8-9-15-37)35-29(43)26(31(5,6)7)36-23(38)17-30(2,3)4/h8-15,19,22,25-26,40H,16-18H2,1-7H3,(H,33,42)(H,34,41)(H,35,43)(H,36,38)/t19-,22-,25-,26+/m0/s1","BILC 821","2008-11-07","2024-09-27","(2S,3S)-3-{[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl-N,N-bis{1-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl-N-{(1S,2S)-1-hydroxy-1-[N-(4-iodobenzyl)amide]propan-2-yl}-L-alpha-asparaginyl]-1H-pyrrol-2-yl}-L-asparaginyl]amino}-2-hydroxy-N-(4-iodobenzyl)butanamide",""],["01F","ethyl hydrogen carbonate","C3 H6 O3","O=C(O)OCC;CCOC(O)=O;CCOC(=O)O","InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)","","2011-02-22","2012-01-13","ethyl hydrogen carbonate",""],["U8M","3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine","C11 H9 F2 N5","n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N;Nc1ccc(N=Nc2cccc(F)c2F)c(N)n1;c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N","InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)","","2020-05-04","2020-12-18","3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine","2020-12-23"],["U8N","4-oxidanyl-2~{H}-isoquinolin-1-one","C9 H7 N O2","OC1=CNC(=O)c2ccccc12;c1ccc2c(c1)C(=CNC2=O)O","InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-5,11H,(H,10,12)","","2021-02-02","2021-09-17","4-oxidanyl-2~{H}-isoquinolin-1-one","2021-09-22"],["01G","8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)","C14 H23 N6 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2c(nc1c2N=C(N)NC1=O)N3CCOCC3)C(O)C4O;NC1=Nc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c(nc2C(=O)N1)N4CCOCC4;C1COCCN1c2nc3c(n2C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N","InChI=1S/C14H23N6O15P3/c15-13-17-10-7(11(23)18-13)16-14(19-1-3-31-4-2-19)20(10)12-9(22)8(21)6(33-12)5-32-37(27,28)35-38(29,30)34-36(24,25)26/h6,8-9,12,21-22H,1-5H2,(H,27,28)(H,29,30)(H2,24,25,26)(H3,15,17,18,23)/t6-,8-,9-,12-/m1/s1","","2007-09-18","2011-06-04","8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)",""],["U8O","[1,2]thiazolo[5,4-b]pyridin-3-amine","C6 H5 N3 S","Nc1nsc2ncccc12;c1cc2c(nsc2nc1)N","InChI=1S/C6H5N3S/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9)","","2023-01-30","2024-02-02","[1,2]thiazolo[5,4-b]pyridin-3-amine","2024-02-07"],["01H","4-hydrazinylbutan-1-amine","C4 H13 N3","NCCCCNN;NCCCCNN;C(CCNN)CN","InChI=1S/C4H13N3/c5-3-1-2-4-7-6/h7H,1-6H2","","2011-02-22","2012-01-13","4-hydrazinylbutan-1-amine",""],["U8P","tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate","C27 H30 N8 O4 S","c4c(c2nc(Nc1ccc(C(=O)OC(C)(C)C)cc1)nc3nccc23)cnn4C5(CN(C5)S(CC)(=O)=O)CC#N;CC[S](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4ccc(cc4)C(=O)OC(C)(C)C)nc5[nH]ccc35;CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C","InChI=1S/C27H30N8O4S/c1-5-40(37,38)34-16-27(17-34,11-12-28)35-15-19(14-30-35)22-21-10-13-29-23(21)33-25(32-22)31-20-8-6-18(7-9-20)24(36)39-26(2,3)4/h6-10,13-15H,5,11,16-17H2,1-4H3,(H2,29,31,32,33)","","2020-05-04","2021-04-30","tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate","2021-05-05"],["01I","naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid","C16 H8 O6","O=C(O)c1oc4c(c1)c3cc2oc(cc2cc3cc4)C(=O)O;OC(=O)c1oc2cc3c(ccc4oc(cc34)C(O)=O)cc2c1;c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O","InChI=1S/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)","","2010-03-26","2011-06-04","naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid",""],["U8Q","4-[4-(trifluoromethyl)phenoxy]piperidine","C12 H14 F3 N O","FC(F)(F)c1ccc(OC2CCNCC2)cc1;c1cc(ccc1C(F)(F)F)OC2CCNCC2","InChI=1S/C12H14F3NO/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16H,5-8H2","","2021-02-02","2021-04-02","4-[4-(trifluoromethyl)phenoxy]piperidine","2021-04-07"],["01J","N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine","C20 H24 N2 O4","O=C(O)C(NC(O)N1CCOCC1)C(c2ccccc2)c3ccccc3;O[CH](N[CH](C(c1ccccc1)c2ccccc2)C(O)=O)N3CCOCC3;c1ccc(cc1)C(c2ccccc2)C(C(=O)O)NC(N3CCOCC3)O","InChI=1S/C20H24N2O4/c23-19(24)18(21-20(25)22-11-13-26-14-12-22)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20-21,25H,11-14H2,(H,23,24)/t18-,20+/m1/s1","","2011-02-22","2012-01-13","N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine",""],["U8R","4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one","C16 H13 F2 N3 O2","FC(F)Oc1ccc(cc1)N2C(=O)C=Cc3n[nH]c(C4CC4)c23;c1cc(ccc1N2c3c(n[nH]c3C4CC4)C=CC2=O)OC(F)F","InChI=1S/C16H13F2N3O2/c17-16(18)23-11-5-3-10(4-6-11)21-13(22)8-7-12-15(21)14(20-19-12)9-1-2-9/h3-9,16H,1-2H2,(H,19,20)","","2023-08-30","2024-03-15","4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one","2024-03-20"],["01K","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate","C31 H53 N10 O19 P3 S","O=C(N)C(NC(=O)C)CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(=O)N[CH](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(N)=O;CC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N","InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19-,23-,24-,25+,30-/m1/s1","Lysine-COENZYME A derivative","2007-12-13","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate",""],["U8S","3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine","C6 H11 N3 O3","NC(CC1=CNC(O)N1)C(=O)O;N[CH](CC1=CN[CH](O)N1)C(O)=O;C1=C(NC(N1)O)CC(C(=O)O)N","InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1","","2022-08-10","2024-10-15","3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine","2023-10-18"],["01L","[(1R)-1-amino-4-methoxybutyl]boronic acid","C5 H14 B N O3","OB(O)C(N)CCCOC;COCCC[CH](N)B(O)O;B(C(CCCOC)N)(O)O","InChI=1S/C5H14BNO3/c1-10-4-2-3-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1","","2011-02-22","2012-01-13","[(1R)-1-amino-4-methoxybutyl]boronic acid",""],["01M","(3S)-1-carbamimidoylpiperidine-3-carboxylic acid","C7 H13 N3 O2","O=C(O)C1CCCN(C(=[N@H])N)C1;NC(=N)N1CCC[CH](C1)C(O)=O;C1CC(CN(C1)C(=N)N)C(=O)O","InChI=1S/C7H13N3O2/c8-7(9)10-3-1-2-5(4-10)6(11)12/h5H,1-4H2,(H3,8,9)(H,11,12)/t5-/m0/s1","","2011-02-22","2012-01-13","(3S)-1-carbamimidoylpiperidine-3-carboxylic acid",""],["U8T","6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one","C13 H14 Br N O2","Brc1ccc2OC3(CCNCC3)CC(=O)c2c1;c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3","InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2","","2021-02-02","2021-04-02","6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one","2021-04-07"],["U8U","5-METHYLAMINOMETHYL-2-THIOURIDINE-5'-MONOPHOSPHATE","C11 H18 N3 O8 P S","O=C1NC(=S)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O;CNCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O;CNCC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H18N3O8PS/c1-12-2-5-3-14(11(24)13-9(5)17)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,24)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1","","2000-05-16","2011-06-04","5-[(methylamino)methyl]-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",""],["01N","N-(carboxymethyl)-3-cyclohexyl-D-alanine","C11 H19 N O4","O=C(O)C(NCC(=O)O)CC1CCCCC1;OC(=O)CN[CH](CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)NCC(=O)O","InChI=1S/C11H19NO4/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8/h8-9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m1/s1","","2011-02-24","2012-01-13","N-(carboxymethyl)-3-cyclohexyl-D-alanine",""],["U8V","6-O-butanoyl-alpha-D-glucopyranose","C10 H18 O7","OC1C(C(O)C(O)C(COC(=O)CCC)O1)O;CCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CCCC(=O)OCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1","","2020-05-04","2020-07-17","6-O-butanoyl-alpha-D-glucopyranose","2020-07-29"],["01O","4-(aminomethyl)-1-methyl-1H-pyrrole-2-carboximidamide","C7 H12 N4","[N@H]=C(c1cc(cn1C)CN)N;Cn1cc(CN)cc1C(N)=N;Cn1cc(cc1C(=N)N)CN","InChI=1S/C7H12N4/c1-11-4-5(3-8)2-6(11)7(9)10/h2,4H,3,8H2,1H3,(H3,9,10)","","2011-02-24","2012-01-13","4-(aminomethyl)-1-methyl-1H-pyrrole-2-carboximidamide",""],["U8W","(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid","C6 H15 O11 P S","O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O;C(C(C(C(C(CS(=O)(=O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1","","2021-02-03","2024-09-27","(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid","2021-04-14"],["01P","N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine","C24 H24 N6 O2","n1c5c(cc(c1)Nc2nc(ncc2)Nc4cc(OC)c(N3CCOCC3)cc4)cccc5;COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N5CCOCC5;COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4","InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29)","","2011-02-17","2021-05-11","N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine",""],["U8X","~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide","C11 H11 N3 O2","Oc1ccc(NC(=O)Cn2cccn2)cc1;c1cnn(c1)CC(=O)Nc2ccc(cc2)O","InChI=1S/C11H11N3O2/c15-10-4-2-9(3-5-10)13-11(16)8-14-7-1-6-12-14/h1-7,15H,8H2,(H,13,16)","","2023-01-30","2024-02-02","~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide","2024-02-07"],["01Q","5-(aminomethyl)-1-methyl-1H-pyrrole-2-carboximidamide","C7 H12 N4","[N@H]=C(c1ccc(n1C)CN)N;Cn1c(CN)ccc1C(N)=N;Cn1c(ccc1C(=N)N)CN","InChI=1S/C7H12N4/c1-11-5(4-8)2-3-6(11)7(9)10/h2-3H,4,8H2,1H3,(H3,9,10)","","2011-02-24","2012-01-13","5-(aminomethyl)-1-methyl-1H-pyrrole-2-carboximidamide",""],["01R","N-(pyridin-4-yl)ethane-1,2-diamine","C7 H11 N3","n1ccc(NCCN)cc1;NCCNc1ccncc1;c1cnccc1NCCN","InChI=1S/C7H11N3/c8-3-6-10-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2,(H,9,10)","","2011-02-24","2012-01-13","N-(pyridin-4-yl)ethane-1,2-diamine",""],["U8Y","3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid","C20 H20 N4 O2","CCc1nc(N)nc(N)c1Cc2cccc(c2)c3cccc(c3)C(O)=O;CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3cccc(c3)C(=O)O","InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)10-12-5-3-6-13(9-12)14-7-4-8-15(11-14)19(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H4,21,22,23,24)","","2023-05-24","2023-08-18","3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid","2023-08-23"],["01S","N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide","C12 H22 N4 O5","O=C(N)CNC(=O)C(NC(=O)C(C(=O)NO)CC(C)C)C;CC(C)C[CH](C(=O)NO)C(=O)N[CH](C)C(=O)NCC(N)=O","InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1","","2008-12-12","2011-07-13","N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide",""],["RSN","(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid","C17 H23 N5 O10 S","N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23;c1c(cc2c(c1N)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O)CO","InChI=1S/C17H23N5O10S/c18-8-1-7(4-23)2-10-13(8)22(6-20-10)17-15(27)14(26)11(32-17)5-31-33(29,30)21-16(28)9(19)3-12(24)25/h1-2,6,9,11,14-15,17,23,26-27H,3-5,18-19H2,(H,21,28)(H,24,25)/t9-,11+,14+,15+,17+/m0/s1","","2020-10-20","2020-12-04","(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid","2020-12-09"],["RSO","R-STYRENE OXIDE","C8 H8 O","O2C(c1ccccc1)C2;C1O[CH]1c2ccccc2;c1ccc(cc1)C2CO2","InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1","","2003-08-12","2011-06-04","(2R)-2-phenyloxirane",""],["01T","[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid","C22 H30 N2 O2","O=C(O)Cc1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)(C)C)CC;CCc1nc(CC(C)(C)C)c(CN)c(c2ccc(C)cc2)c1CC(O)=O;CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O","InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)","TAK-100","2010-08-06","2020-06-17","[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid",""],["RSP","4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione","C9 H14 N3 O7 P S","NC1=NC(=S)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=S)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(21)11-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H2,10,11,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1","","2010-01-11","2019-12-05","[(2R,3S,4R,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",""],["01U","1,3-benzothiazole-2,6-diamine","C7 H7 N3 S","n1c2ccc(cc2sc1N)N;Nc1sc2cc(N)ccc2n1;c1cc2c(cc1N)sc(n2)N","InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)","","2011-02-24","2012-01-13","1,3-benzothiazole-2,6-diamine",""],["RSQ","5-formylcytidine 5'-(dihydrogen phosphate)","C10 H14 N3 O9 P","P(O)(O)(OCC2C(C(C(N1C(N=C(N)C(C=O)=C1)=O)O2)O)O)=O;NC1=NC(=O)N(C=C1C=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C=O","InChI=1S/C10H14N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1-2,5-7,9,15-16H,3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1","","2010-01-25","2016-02-04","5-formylcytidine 5'-(dihydrogen phosphate)",""],["01V","1-(2,5-dichlorophenyl)methanamine","C7 H7 Cl2 N","Clc1ccc(Cl)cc1CN;NCc1cc(Cl)ccc1Cl;c1cc(c(cc1Cl)CN)Cl","InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2","","2011-02-24","2012-01-13","1-(2,5-dichlorophenyl)methanamine",""],["01W","(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate","C10 H12 N4 O6","[O-][N+](=O)c1ccc(NCCC(C([O-])=O)[NH3+])c(c1)[N+]([O-])=O;N[CH](CCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCC(C(=O)O)N","InChI=1S/C10H12N4O6/c11-7(10(15)16)3-4-12-8-2-1-6(13(17)18)5-9(8)14(19)20/h1-2,5,7,12H,3-4,11H2,(H,15,16)/t7-/m0/s1","","2008-07-21","2024-09-27","(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate",""],["RSR","(8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H17 F2 N5 O2","O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12;Nc1nc2[nH]c3cc(F)ccc3c2c(n1)N4CC5(CCC5)[C](F)(C4)C(O)=O;c1cc2c(cc1F)[nH]c3c2c(nc(n3)N)N4CC5(CCC5)C(C4)(C(=O)O)F","InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/m1/s1","","2022-06-23","2022-07-01","(8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["RSS","5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID","C25 H35 N3 O4","O=C(O)CC(C(=O)NC3C(=O)NCCCCCCn2c1ccccc1c(c2)C3)CC(C)C;CC(C)C[CH](CC(O)=O)C(=O)N[CH]1Cc2cn(CCCCCCNC1=O)c3ccccc23;CC(C)CC(CC(=O)O)C(=O)NC1Cc2cn(c3c2cccc3)CCCCCCNC1=O","InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1","","1999-07-08","2011-06-04","(3R)-5-methyl-3-{[(10S)-9-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,12-(metheno)-1,8-benzodiazacyclotetradecin-10-yl]carbamoyl}hexanoic acid",""],["01X","[2-(aminomethyl)-4-chlorophenoxy]acetic acid","C9 H10 Cl N O3","Clc1cc(c(OCC(=O)O)cc1)CN;NCc1cc(Cl)ccc1OCC(O)=O;c1cc(c(cc1Cl)CN)OCC(=O)O","InChI=1S/C9H10ClNO3/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3H,4-5,11H2,(H,12,13)","","2011-02-24","2012-01-13","[2-(aminomethyl)-4-chlorophenoxy]acetic acid",""],["RST","3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose","C6 H13 N O3","OC1C(OC(O)CC1N)C;C[CH]1O[CH](O)C[CH](N)[CH]1O;CC1C(C(CC(O1)O)N)O","InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1","RISTOSAMINE; 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexose; 3-amino-2,3,6-trideoxy-L-ribo-hexose;\n3-amino-2,3,6-trideoxy-ribo-hexose","2002-09-02","2024-09-27","3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose",""],["01Y","(cyclopentyloxy)acetic acid","C7 H12 O3","O=C(O)COC1CCCC1;OC(=O)COC1CCCC1;C1CCC(C1)OCC(=O)O","InChI=1S/C7H12O3/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)","","2011-02-24","2012-01-13","(cyclopentyloxy)acetic acid",""],["RSU","(2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C21 H30 N6 O","CC[CH](CO)Nc1nc(NCCCc2ccccc2)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCc3ccccc3","InChI=1S/C21H30N6O/c1-4-17(13-28)24-21-25-19(18-20(26-21)27(14-23-18)15(2)3)22-12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14-15,17,28H,4,8,11-13H2,1-3H3,(H2,22,24,25,26)/t17-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["01Z","(cyclohexyloxy)acetic acid","C8 H14 O3","O=C(O)COC1CCCCC1;OC(=O)COC1CCCCC1;C1CCC(CC1)OCC(=O)O","InChI=1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)","","2011-02-24","2012-01-13","(cyclohexyloxy)acetic acid",""],["RSV","6-(thiophen-3-yl)quinolin-2-amine","C13 H10 N2 S","n3c2ccc(c1ccsc1)cc2ccc3N;Nc1ccc2cc(ccc2n1)c3cscc3;c1cc(nc2c1cc(cc2)c3ccsc3)N","InChI=1S/C13H10N2S/c14-13-4-2-10-7-9(1-3-12(10)15-13)11-5-6-16-8-11/h1-8H,(H2,14,15)","","2011-05-04","2011-08-26","6-(thiophen-3-yl)quinolin-2-amine",""],["020","N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline","C12 H9 F3 N2 O3","FC(F)(F)c1ccc(c([N+]([O-])=O)c1)NCc2occc2;[O-][N+](=O)c1cc(ccc1NCc2occc2)C(F)(F)F;c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F","InChI=1S/C12H9F3N2O3/c13-12(14,15)8-3-4-10(11(6-8)17(18)19)16-7-9-2-1-5-20-9/h1-6,16H,7H2","","2009-05-07","2011-06-04","N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline",""],["RSW","[(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)","C25 H16 Cl N3 O4 Ru","O=C(O)C1%12C8C9C%10C%11C1[Ru]589%10%11%12(Cl)[n+]7c2c(c6c(c3c2n5c4c3cccc4)C(=O)NC6=O)cc(c7)C;Cc1cc2c3C(=O)NC(=O)c3c4c5ccccc5n6[Ru]|7|8|9|%10|%11(Cl)(|C%12C|7C|8C|9(C|%10C|%11%12)C(O)=O)[n+](c1)c2c46;Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912(C4C7C8C9(C1C24)C(=O)O)Cl)C(=O)NC3=O","InChI=1S/C18H11N3O2.C7H6O2.ClH.Ru/c1-8-6-10-13-14(18(23)21-17(13)22)12-9-4-2-3-5-11(9)20-16(12)15(10)19-7-8;8-7(9)6-4-2-1-3-5-6;;/h2-7H,1H3,(H2,19,20,21,22,23);1-5H,(H,8,9);1H;/q;;;+3/p-2","","2011-02-15","2011-06-04","[(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)",""],["021","N-cyclopentylglycine","C7 H13 N O2","O=C(O)CNC1CCCC1;OC(=O)CNC1CCCC1;C1CCC(C1)NCC(=O)O","InChI=1S/C7H13NO2/c9-7(10)5-8-6-3-1-2-4-6/h6,8H,1-5H2,(H,9,10)","","2011-02-24","2012-01-13","N-cyclopentylglycine",""],["022","3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acid","C24 H22 N4 O3","O=C(O)CCc4ccc(c2ccc(n1ccnc1)cc2)n4c3c(cc(C(=O)N)cc3)C;Cc1cc(ccc1n2c(CCC(O)=O)ccc2c3ccc(cc3)n4ccnc4)C(N)=O;Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N","InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)","N6022","2011-02-09","2020-06-17","3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acid",""],["RSX","(4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)","C8 H17 N O6 P2","O=P(O)(O)C2(CC1C(NCCC1)C2)P(=O)(O)O;O[P](O)(=O)C1(C[CH]2CCCN[CH]2C1)[P](O)(O)=O;C1CC2CC(CC2NC1)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H17NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h6-7,9H,1-5H2,(H2,10,11,12)(H2,13,14,15)/t6-,7+/m0/s1","","2008-04-03","2011-06-04","(4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)",""],["RSY","N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide","C31 H43 Cl N6 O6","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CC(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCl)C(C)C)c2ncccc2;CC(C)C[CH](NC(=O)[CH](CCl)NC(=O)C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(=O)c2ccccn2)C(C)C)C(N)=O;CC(C)CC(C(=O)N)NC(=O)C(CCl)NC(=O)CC(C(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)c2ccccn2)O","InChI=1S/C31H43ClN6O6/c1-18(2)14-23(28(33)41)37-30(43)24(17-32)35-26(40)16-25(39)22(15-20-10-6-5-7-11-20)36-31(44)27(19(3)4)38-29(42)21-12-8-9-13-34-21/h5-13,18-19,22-25,27,39H,14-17H2,1-4H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,43)(H,38,42)/t22-,23-,24-,25-,27+/m0/s1","","2011-04-25","2012-03-30","N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide",""],["023","N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE","C21 H33 N3 O4","O=C(NC)C(NC(=O)C(CCCc1ccccc1)C(N(O)C=O)C)C(C)(C)C;CNC(=O)[CH](NC(=O)[CH](CCCc1ccccc1)[CH](C)N(O)C=O)C(C)(C)C;CC(C(CCCc1ccccc1)C(=O)NC(C(=O)NC)C(C)(C)C)N(C=O)O","InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1","","2009-07-22","2011-06-04","N~2~-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide",""],["RSZ","N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide","C34 H39 N5 O5","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CC(=O)NC(C(=O)NCC#C)Cc2ccccc2)C(C)C)c3ncccc3;CC(C)[CH](NC(=O)c1ccccn1)C(=O)N[CH](Cc2ccccc2)[CH](O)CC(=O)N[CH](Cc3ccccc3)C(=O)NCC#C;CC(C)C(C(=O)NC(Cc1ccccc1)C(CC(=O)NC(Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3","InChI=1S/C34H39N5O5/c1-4-18-36-32(42)28(21-25-15-9-6-10-16-25)37-30(41)22-29(40)27(20-24-13-7-5-8-14-24)38-34(44)31(23(2)3)39-33(43)26-17-11-12-19-35-26/h1,5-17,19,23,27-29,31,40H,18,20-22H2,2-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t27-,28+,29-,31-/m0/s1","","2011-04-25","2012-03-30","N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide",""],["024","4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID","C19 H20 Br N O5 S","O=C(O)c3sc(c1cc(ccc1)NC2CCCCC2)c(Br)c3OCC(=O)O;OC(=O)COc1c(Br)c(sc1C(O)=O)c2cccc(NC3CCCCC3)c2;c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br","InChI=1S/C19H20BrNO5S/c20-15-16(26-10-14(22)23)18(19(24)25)27-17(15)11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h4-5,8-9,12,21H,1-3,6-7,10H2,(H,22,23)(H,24,25)","","2006-06-20","2011-06-04","4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid",""],["RT","RIBOSYLTHYMINE-5'-MONOPHOSPHATE","C10 H15 N2 O9 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1/f/h11,17-18H","","2001-06-01","2009-01-07","5-methyluridine 5'-(dihydrogen phosphate)",""],["025","3-(trifluoromethyl)benzenesulfonic acid","C7 H5 F3 O3 S","FC(F)(F)c1cc(ccc1)S(=O)(=O)O;O[S](=O)(=O)c1cccc(c1)C(F)(F)F;c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F","InChI=1S/C7H5F3O3S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H,11,12,13)","","2011-02-25","2012-01-13","3-(trifluoromethyl)benzenesulfonic acid",""],["RT0","(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid","C13 H13 F N4 O2","O=C(O)C3NCC(n1nnc(c1)c2ccc(F)cc2)C3;OC(=O)[CH]1C[CH](CN1)n2cc(nn2)c3ccc(F)cc3;c1cc(ccc1c2cn(nn2)C3CC(NC3)C(=O)O)F","InChI=1S/C13H13FN4O2/c14-9-3-1-8(2-4-9)12-7-18(17-16-12)10-5-11(13(19)20)15-6-10/h1-4,7,10-11,15H,5-6H2,(H,19,20)/t10-,11-/m0/s1","","2013-04-23","2019-10-07","(4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-L-proline","2013-05-01"],["026","3-(piperazin-1-yl)propan-1-amine","C7 H17 N3","N1CCN(CCCN)CC1;NCCCN1CCNCC1;C1CN(CCN1)CCCN","InChI=1S/C7H17N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1-8H2","","2011-02-25","2012-01-13","3-(piperazin-1-yl)propan-1-amine",""],["RT1","(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid","C12 H18 N O4 P","O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1;C[CH](C[P](O)(=O)[CH](N)Cc1ccccc1)C(O)=O;CC(CP(=O)(C(Cc1ccccc1)N)O)C(=O)O","InChI=1S/C12H18NO4P/c1-9(12(14)15)8-18(16,17)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m1/s1","","2010-03-14","2012-01-13","(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid",""],["027","7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one","C20 H27 N7 O","O=C4N(N=C(Nc1nnc(c1)C)c3ccc(N2CCN(C)CC2)cc34)C(C)C;CC(C)N1N=C(Nc2cc(C)[nH]n2)c3ccc(cc3C1=O)N4CCN(C)CC4;Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C","InChI=1S/C20H27N7O/c1-13(2)27-20(28)17-12-15(26-9-7-25(4)8-10-26)5-6-16(17)19(24-27)21-18-11-14(3)22-23-18/h5-6,11-13H,7-10H2,1-4H3,(H2,21,22,23,24)","","2010-11-09","2011-06-04","7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one",""],["028","(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","C7 H18 O7 P2","O=P(O)(O)C(O)(CCCCCC)P(=O)(O)O;CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O;CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)","","2007-06-28","2011-06-04","(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)",""],["RT2","Tofogliflozin","C22 H26 O6","CCc1ccc(Cc2ccc3CO[C]4(O[CH](CO)[CH](O)[CH](O)[CH]4O)c3c2)cc1;CCc1ccc(cc1)Cc2ccc3c(c2)C4(C(C(C(C(O4)CO)O)O)O)OC3","InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+,22+/m1/s1","","2020-10-20","2020-11-27","(3~{S},3'~{S},4'~{S},5'~{S},6'~{R})-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1~{H}-2-benzofuran-3,2'-oxane]-3',4',5'-triol","2020-12-02"],["RT3","S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate","C19 H20 Cl N3 O4 S2","Cc1ccc2N(CCCc2c1)C(=O)SCC(=O)Nc3ccc(cc3Cl)[S](N)(=O)=O;Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N","InChI=1S/C19H20ClN3O4S2/c1-12-4-7-17-13(9-12)3-2-8-23(17)19(25)28-11-18(24)22-16-6-5-14(10-15(16)20)29(21,26)27/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,24)(H2,21,26,27)","S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate","2009-06-26","2021-03-13","S-[2-[(2-chloro-4-sulfamoyl-phenyl)amino]-2-oxo-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate",""],["029","cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid","C9 H17 N3 O2","O=C(O)C1CCC(CNC(=[N@H])N)CC1;NC(=N)NC[CH]1CC[CH](CC1)C(O)=O;C1CC(CCC1CNC(=N)N)C(=O)O","InChI=1S/C9H17N3O2/c10-9(11)12-5-6-1-3-7(4-2-6)8(13)14/h6-7H,1-5H2,(H,13,14)(H4,10,11,12)/t6-,7+","","2011-02-25","2012-01-13","cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid",""],["RT4","(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H21 Cl N4 O3","Clc1ccc2C(=O)N(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1;Clc1ccc2C(=O)N(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)NC5CC5;c1ccc2c(c1)cncc2NC(=O)C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC5CC5","InChI=1S/C24H21ClN4O3/c25-15-5-8-18-19(9-15)20(12-29(24(18)32)13-22(30)27-16-6-7-16)23(31)28-21-11-26-10-14-3-1-2-4-17(14)21/h1-5,8-11,16,20H,6-7,12-13H2,(H,27,30)(H,28,31)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["02A","(2S)-azetidine-2-carboxylic acid","C4 H7 N O2","O=C(O)C1NCC1;OC(=O)[CH]1CCN1;C1CNC1C(=O)O","InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1","","2011-02-25","2024-09-27","(2S)-azetidine-2-carboxylic acid",""],["RT5","(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","C18 H17 F2 N5 O2","O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12;Nc1nc2[nH]c3cc(F)ccc3c2c(n1)N4CC5(CCC5)[C](F)(C4)C(O)=O;c1cc2c(cc1F)[nH]c3c2c(nc(n3)N)N4CC5(CCC5)C(C4)(C(=O)O)F","InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/m0/s1","","2022-06-23","2022-07-01","(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-06"],["02B","4-methoxy-2,3,6-trimethylbenzenesulfonic acid","C10 H14 O4 S","O=S(=O)(O)c1c(c(c(OC)cc1C)C)C;COc1cc(C)c(c(C)c1C)[S](O)(=O)=O;Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC","InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13)","","2011-02-25","2012-01-13","4-methoxy-2,3,6-trimethylbenzenesulfonic acid",""],["02C","2-(aminomethyl)-1,3-thiazole-4-carboximidamide","C5 H8 N4 S","n1c(C(=[N@H])N)csc1CN;NCc1scc(n1)C(N)=N;c1c(nc(s1)CN)C(=N)N","InChI=1S/C5H8N4S/c6-1-4-9-3(2-10-4)5(7)8/h2H,1,6H2,(H3,7,8)","","2011-02-25","2012-01-13","2-(aminomethyl)-1,3-thiazole-4-carboximidamide",""],["RT6","(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside","C19 H33 N O9","OCC1=CC(NC2CCCCC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](NC3CCCCC3)C=C2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)NC2C=C(C(C(C2O)O)OC3C(C(C(C(O3)CO)O)O)O)CO","InChI=1S/C19H33NO9/c21-7-9-6-11(20-10-4-2-1-3-5-10)13(23)16(26)18(9)29-19-17(27)15(25)14(24)12(8-22)28-19/h6,10-27H,1-5,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18+,19+/m0/s1","","2022-05-02","2022-10-14","(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside","2022-10-19"],["RT7","S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate","C18 H16 Cl3 N3 O4 S2","N[S](=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1;c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl","InChI=1S/C18H16Cl3N3O4S2/c19-11-6-10-2-1-5-24(17(10)14(21)7-11)18(26)29-9-16(25)23-15-4-3-12(8-13(15)20)30(22,27)28/h3-4,6-8H,1-2,5,9H2,(H,23,25)(H2,22,27,28)","S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate","2009-06-26","2021-03-13","S-[2-[(2-chloro-4-sulfamoyl-phenyl)amino]-2-oxo-ethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate",""],["02D","5-(aminomethyl)thiophene-2-carboximidamide","C6 H9 N3 S","[N@H]=C(N)c1sc(cc1)CN;NCc1sc(cc1)C(N)=N;c1cc(sc1CN)C(=N)N","InChI=1S/C6H9N3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H3,8,9)","","2011-02-25","2012-01-13","5-(aminomethyl)thiophene-2-carboximidamide",""],["RT8","NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE","C24 H28 N4 O2","O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)Cc4c3ccccc3nc4;C[CH]1CC[CH](CC1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)Nc4ccncc4;CC1CCC(CC1)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4","InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30)/t16-,17-,22-/m1/s1","","2010-04-16","2011-06-04","Nalpha-[(trans-4-methylcyclohexyl)carbonyl]-N-pyridin-4-yl-D-tryptophanamide",""],["02E","(E,1S)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine","C17 H22 N O5 P","OP(Oc1ccccc1)(Oc2ccccc2)(O)C(N)CC=COC;COC=CC[CH](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2;COC=CCC(N)P(O)(O)(Oc1ccccc1)Oc2ccccc2","InChI=1S/C17H22NO5P/c1-21-14-8-13-17(18)24(19,20,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-12,14,17,19-20H,13,18H2,1H3/b14-8+/t17-/m0/s1","","2011-04-06","2012-01-13","[(1S,3E)-1-amino-4-methoxybut-3-en-1-yl](dihydroxy)diphenoxy-lambda~5~-phosphane",""],["RT9","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H22 Cl N3 O5 S","COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21;COC1(CC1)C[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2=O;COC1(CC1)CS(=O)(=O)N2CC(c3cc(ccc3C2=O)Cl)C(=O)Nc4cncc5c4cccc5","InChI=1S/C24H22ClN3O5S/c1-33-24(8-9-24)14-34(31,32)28-13-20(19-10-16(25)6-7-18(19)23(28)30)22(29)27-21-12-26-11-15-4-2-3-5-17(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,27,29)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["02F","[(1S)-1-amino-4-methoxybutyl]phosphonic acid","C5 H14 N O4 P","O=P(O)(O)C(N)CCCOC;COCCC[CH](N)[P](O)(O)=O;COCCCC(N)P(=O)(O)O","InChI=1S/C5H14NO4P/c1-10-4-2-3-5(6)11(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m0/s1","","2011-04-06","2012-01-13","[(1S)-1-amino-4-methoxybutyl]phosphonic acid",""],["RTA","(2,2':6',2''-TERPYRIDINE)-(2,2''-BIPYRIDINE) RUTHENIUM (II)","C25 H42 N5 Ru","N14CCCCC1C2N8C(CCC2)C3N(CCCC3)[Ru+2]478N5CCC=CC5C6N7CCCC6;C1CCN2[CH](C1)[CH]3CCC[CH]4[CH]5CCCCN5[Ru++]26(N7CCCC[CH]7[CH]8C=CCCN68)N34;C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8","InChI=1S/C15H26N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12-15H,1-11H2;1,5,9-10H,2-4,6-8H2;/q-3;-2;+7/t12-,13?,14?,15?;9?,10-;/m10./s1","","2001-10-03","2011-06-04","[(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN][(2R,2'S,2''R,6'S)-2,2':6',2''-terpiperidinato(3-)-kappa~3~N~1~,N~1'~,N~1''~]ruthenium(2+)",""],["02G","(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid","C7 H12 O3 S","O=C(O)CC(O)/C=C/CCS;O[CH](CC(O)=O)C=CCCS;C(CS)C=CC(CC(=O)O)O","InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1","","2011-05-04","2024-09-27","(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid",""],["RTB","(2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II)","C27 H19 N5 Ru","[Ru++].c1ccc(nc1)c2cccc(n2)c3ccccn3.c4cnc5c(c4)ccc6cccnc56;C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98","InChI=1S/C15H11N3.C12H8N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11H;1-8H;/q;;+2","","2001-10-03","2023-09-23","",""],["02H","(2S,3S,5S)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol","C23 H27 N3 O","OC(CC(N)Cc1ccccc1)C(N)Cc3ccc(c2cccnc2)cc3;N[CH](C[CH](O)[CH](N)Cc1ccc(cc1)c2cccnc2)Cc3ccccc3;c1ccc(cc1)CC(CC(C(Cc2ccc(cc2)c3cccnc3)N)O)N","InChI=1S/C23H27N3O/c24-21(13-17-5-2-1-3-6-17)15-23(27)22(25)14-18-8-10-19(11-9-18)20-7-4-12-26-16-20/h1-12,16,21-23,27H,13-15,24-25H2/t21-,22-,23-/m0/s1","","2011-06-03","2012-04-06","(2S,3S,5S)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol",""],["RTC","RHENIUM (I) TRICARBONYL","C3 O3 Re","[Re+].[C-]#[O+].[C-]#[O+].[C-]#[O+];C(#O)[Re+](C#O)C#O","InChI=1S/3CO.Re/c3*1-2;/q;;;+1","","2001-03-06","2023-09-23","tris($l^{3}-oxidanylidynemethyl)rhenium(1+)",""],["02I","(6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate","C10 H12 N5 O6 P","O=P(O)(O)OC3c2nc1c(ncnc1N)n2C4OC3C(O)C4;Nc1ncnc2n3[CH]4C[CH](O)[CH](O4)[CH](O[P](O)(O)=O)c3nc12;c1nc(c2c(n1)n3c(n2)C(C4C(CC3O4)O)OP(=O)(O)O)N","InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15-4-1-3(16)6(20-4)7(10(15)14-5)21-22(17,18)19/h2-4,6-7,16H,1H2,(H2,11,12,13)(H2,17,18,19)/t3-,4+,6-,7+/m0/s1","","2011-07-27","2012-06-22","(6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate",""],["RTD","(2R)-phenyl(sulfanyl)ethanoic acid","C8 H8 O2 S","O=C(O)C(S)c1ccccc1;OC(=O)[CH](S)c1ccccc1;c1ccc(cc1)C(C(=O)O)S","InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1","alpha-mercaptophenylacetic acid, R-thiomandelic acid","2013-02-26","2020-06-17","(2R)-phenyl(sulfanyl)ethanoic acid","2013-10-09"],["02J","5-methyl-1,2-oxazole-3-carboxylic acid","C5 H5 N O3","O=C(O)c1noc(c1)C;Cc1onc(c1)C(O)=O;Cc1cc(no1)C(=O)O","InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)","","2011-06-17","2024-09-27","5-methyl-1,2-oxazole-3-carboxylic acid",""],["02K","1-aminocyclohexanecarboxylic acid","C7 H13 N O2","O=C(O)C1(N)CCCCC1;NC1(CCCCC1)C(O)=O;C1CCC(CC1)(C(=O)O)N","InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)","","2011-06-15","2024-09-27","1-aminocyclohexanecarboxylic acid",""],["RTE","3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid","C22 H16 Cl F N2 O4","c1(c(F)cc(cc1)Oc2cc3c(cc2)nc(n3C)COc4cc(ccc4)C(O)=O)Cl;Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(Cl)c(F)c4)cc13;Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl","InChI=1S/C22H16ClFN2O4/c1-26-20-11-16(30-15-5-7-17(23)18(24)10-15)6-8-19(20)25-21(26)12-29-14-4-2-3-13(9-14)22(27)28/h2-11H,12H2,1H3,(H,27,28)","4-[[6-(4-chloro-3-fluoro-phenoxy)-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","2018-01-30","2020-06-17","3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid","2018-10-17"],["RTF","3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","C23 H21 N3 O4","Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ncc(C)cc4C)cc13;Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C","InChI=1S/C23H21N3O4/c1-14-9-15(2)22(24-12-14)30-18-7-8-19-20(11-18)26(3)21(25-19)13-29-17-6-4-5-16(10-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)","","2018-02-02","2018-10-12","3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid","2018-10-17"],["02L","N-(2,2-dimethylpropyl)-L-asparagine","C9 H18 N2 O3","O=C(NCC(C)(C)C)CC(N)C(=O)O;CC(C)(C)CNC(=O)C[CH](N)C(O)=O;CC(C)(C)CNC(=O)CC(C(=O)O)N","InChI=1S/C9H18N2O3/c1-9(2,3)5-11-7(12)4-6(10)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t6-/m0/s1","N-beta-neopentyl asparagine","2011-06-17","2021-03-01","N-(2,2-dimethylpropyl)-L-asparagine",""],["RTG","6-O-phosphono-alpha-L-idopyranose","C6 H13 O9 P","O=P(O)(OCC1OC(C(C(C1O)O)O)O)O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5+,6+/m0/s1","","2020-02-25","2020-07-17","6-O-phosphono-alpha-L-idopyranose","2020-07-29"],["02N","1-(4-methylphenyl)methanamine","C8 H11 N","NCc1ccc(cc1)C;Cc1ccc(CN)cc1;Cc1ccc(cc1)CN","InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3","","2011-06-17","2024-09-27","1-(4-methylphenyl)methanamine",""],["02O","3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-L-alanine","C9 H15 N3 O3","O=C(O)C(N)Cc1nc(no1)C(C)(C)C;CC(C)(C)c1noc(C[CH](N)C(O)=O)n1;CC(C)(C)c1nc(on1)CC(C(=O)O)N","InChI=1S/C9H15N3O3/c1-9(2,3)8-11-6(15-12-8)4-5(10)7(13)14/h5H,4,10H2,1-3H3,(H,13,14)/t5-/m0/s1","","2011-06-21","2012-06-08","3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-L-alanine",""],["RTH","6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine","C21 H20 N2","C(#Cc3ccccc3c1ccc2nc(ccc2c1)N)C(C)(C)C;CC(C)(C)C#Cc1ccccc1c2ccc3nc(N)ccc3c2;CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N","InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23)","","2011-05-04","2011-08-26","6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine",""],["RTI","(1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H16 N2 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]ccc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)cc[nH]4)C(=O)O","InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/m0/s1","","2022-06-23","2022-07-01","(1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["02P","D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide","C21 H26 Cl N4 O2","O=C(NCc1[n+](ccc(Cl)c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3;C[n+]1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3;C[n+]1ccc(cc1CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N)Cl","InChI=1S/C21H25ClN4O2/c1-25-11-9-16(22)13-17(25)14-24-20(27)19-8-5-10-26(19)21(28)18(23)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,13,18-19H,5,8,10,12,14,23H2,1H3/p+1/t18-,19+/m1/s1","","2011-03-18","2012-03-02","D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide",""],["RTJ","(7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C20 H19 F2 N5 O2","c4(F)c(O)c(cc(Nc1nc2c(cn1)N(CC#C)C(=O)C(C)N2CC3CC3)c4)F;C[CH]1N(CC2CC2)c3nc(Nc4cc(F)c(O)c(F)c4)ncc3N(CC#C)C1=O;CC1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C","InChI=1S/C20H19F2N5O2/c1-3-6-26-16-9-23-20(24-13-7-14(21)17(28)15(22)8-13)25-18(16)27(10-12-4-5-12)11(2)19(26)29/h1,7-9,11-12,28H,4-6,10H2,2H3,(H,23,24,25)/t11-/m1/s1","","2020-02-25","2021-02-26","(7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2021-03-03"],["02Q","3-(2-methylphenyl)propanoic acid","C10 H12 O2","O=C(O)CCc1ccccc1C;Cc1ccccc1CCC(O)=O;Cc1ccccc1CCC(=O)O","InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)","","2011-06-24","2012-01-13","3-(2-methylphenyl)propanoic acid",""],["RTK","trimethyl(3-oxidanylphosphonoylpropyl)azanium","C6 H17 N O2 P","O=P(O)CCC[N+](C)(C)C;C[N+](C)(C)CCC[PH](O)=O;C[N+](C)(C)CCCP(=O)O","InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1","","2013-03-27","2014-09-05","3-[(R)-hydroxy(oxido)-lambda~5~-phosphanyl]-N,N,N-trimethylpropan-1-aminium","2014-03-12"],["02R","1-(2-chlorophenyl)methanamine","C7 H8 Cl N","Clc1ccccc1CN;NCc1ccccc1Cl;c1ccc(c(c1)CN)Cl","InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2","","2011-06-24","2012-01-13","1-(2-chlorophenyl)methanamine",""],["RTL","RETINOL","C20 H30 O","C1(CCCC(=C1C=CC(=CC=CC(=CCO)C)C)C)(C)C;CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C","InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+","","1999-07-08","2020-09-03","retinol",""],["02S","4-(benzyloxy)benzoic acid","C14 H12 O3","O=C(O)c2ccc(OCc1ccccc1)cc2;OC(=O)c1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)C(=O)O","InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)","","2011-06-27","2012-01-13","4-(benzyloxy)benzoic acid",""],["RTM","3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide","C19 H25 N3 O","O=C(N(C1CCCCC1)C)CCc2cc3ccccc3nc2N;CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N;CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N","InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21)","","2011-05-04","2011-08-26","3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide",""],["02T","1-(3-methylthiophen-2-yl)methanamine","C6 H9 N S","s1c(c(cc1)C)CN;Cc1ccsc1CN;Cc1ccsc1CN","InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3","","2011-06-27","2012-01-13","1-(3-methylthiophen-2-yl)methanamine",""],["RTN","3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide","C25 H29 N3 O","O=C(NC1CCCCC1)CCc2cc3cc(ccc3nc2N)c4ccccc4C;Cc1ccccc1c2ccc3nc(N)c(CCC(=O)NC4CCCCC4)cc3c2;Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4","InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29)","","2011-05-05","2011-08-26","3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide",""],["02U","14-methylhexadec-9-enoic acid","C17 H32 O2","O=C(O)CCCCCCC/C=C/CCCC(C)CC;CCC(C)CCCC=CCCCCCCCC(O)=O;CCC(C)CCCC=CCCCCCCCC(=O)O","InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)","","2011-06-10","2024-09-27","14-methylhexadec-9-enoic acid",""],["RTO","4-(dipropylsulfamoyl)benzoic acid","C13 H19 N O4 S","CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O;CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O","InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)","","2022-12-06","2023-07-14","4-(dipropylsulfamoyl)benzoic acid","2023-07-19"],["02V","(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid","C9 H11 N O4","O=C(O)C(c1cc(O)c(O)cc1)NC;CN[CH](C(O)=O)c1ccc(O)c(O)c1;CNC(c1ccc(c(c1)O)O)C(=O)O","InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1","","2011-06-10","2024-09-27","(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid",""],["RTP","RIBAVIRIN TRIPHOSPHATE","C8 H15 N4 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n1nc(nc1)C(=O)N)C(O)C2O;NC(=O)c1ncn(n1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;c1nc(nn1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N","InChI=1S/C8H15N4O14P3/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(24-8)1-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H,19,20)(H,21,22)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1","","2002-09-09","2011-06-04","1-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-1,2,4-triazole-3-carboxamide",""],["02W","2-(2-methyl-1H-benzimidazol-1-yl)ethanamine","C10 H13 N3","n2c1ccccc1n(c2C)CCN;Cc1nc2ccccc2n1CCN;Cc1nc2ccccc2n1CCN","InChI=1S/C10H13N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7,11H2,1H3","","2011-07-12","2012-01-13","2-(2-methyl-1H-benzimidazol-1-yl)ethanamine",""],["RTQ","(2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone","C35 H45 N3 O8","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)CNC(=O)COc4cccc2c4)C5CCCCC5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCC(=O)NCC(=O)NC(C(=O)N4CCCCC4C(=O)O2)C5CCCCC5","InChI=1S/C35H45N3O8/c1-43-29-17-15-23(19-30(29)44-2)14-16-28-25-11-8-12-26(20-25)45-22-32(40)36-21-31(39)37-33(24-9-4-3-5-10-24)34(41)38-18-7-6-13-27(38)35(42)46-28/h8,11-12,15,17,19-20,24,27-28,33H,3-7,9-10,13-14,16,18,21-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28+,33+/m0/s1","(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone","2020-10-20","2021-04-16","(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone","2021-04-21"],["02X","(2S)-2-(propan-2-yl)butanedioic acid","C7 H12 O4","O=C(O)C(CC(=O)O)C(C)C;CC(C)[CH](CC(O)=O)C(O)=O;CC(C)C(CC(=O)O)C(=O)O","InChI=1S/C7H12O4/c1-4(2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1","2-Isopropylmaleic acid","2011-07-12","2025-06-30","(2S)-2-(propan-2-yl)butanedioic acid",""],["RTR","4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE","C20 H19 Cl N4 O3 S2","O=C2N(Cc1ccc(C(=[N@H])N)cc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4;NC(=N)c1ccc(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)cc1;c1cc(ccc1CN2CCN(CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N","InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)","","2003-01-31","2011-06-04","4-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide",""],["02Y","6-diazonio-5-oxo-L-norleucine","C6 H10 N3 O3","O=C(CCC(N)C(=O)O)C[N+]#N;N[CH](CCC(=O)C[N+]#N)C(O)=O;C(CC(=O)C[N+]#N)C(C(=O)O)N","InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1","","2011-07-18","2024-09-27","6-diazonio-5-oxo-L-norleucine",""],["02Z","4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide","C10 H10 N4 O S","O=C(c1sc(nc1N)Nc2ccccc2)N;NC(=O)c1sc(Nc2ccccc2)nc1N;c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N","InChI=1S/C10H10N4OS/c11-8-7(9(12)15)16-10(14-8)13-6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)(H,13,14)","","2011-05-12","2012-10-26","4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide","2012-10-26"],["RTS","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C22 H21 Cl N4 O4 S","CNC(=O)CN1CC(C)(c2cc(Cl)ccc2S1(=O)=O)C(=O)Nc1cncc2ccccc21;CNC(=O)CN1C[C](C)(C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4[S]1(=O)=O;CC1(CN(S(=O)(=O)c2c1cc(cc2)Cl)CC(=O)NC)C(=O)Nc3cncc4c3cccc4","InChI=1S/C22H21ClN4O4S/c1-22(21(29)26-18-11-25-10-14-5-3-4-6-16(14)18)13-27(12-20(28)24-2)32(30,31)19-8-7-15(23)9-17(19)22/h3-11H,12-13H2,1-2H3,(H,24,28)(H,26,29)/t22-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["RTT","(2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone","C37 H47 N3 O8","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C4(CC4)NC(=O)COc5cccc2c5)C6CCCCC6)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)NC(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6","InChI=1S/C37H47N3O8/c1-45-30-17-15-24(21-31(30)46-2)14-16-29-26-11-8-12-27(22-26)47-23-32(41)39-37(18-19-37)36(44)38-33(25-9-4-3-5-10-25)34(42)40-20-7-6-13-28(40)35(43)48-29/h8,11-12,15,17,21-22,25,28-29,33H,3-7,9-10,13-14,16,18-20,23H2,1-2H3,(H,38,44)(H,39,41)/t28-,29+,33+/m0/s1","(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone","2020-10-20","2021-04-16","(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone","2021-04-21"],["030","(3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl hydrogen carbonate","C8 H12 O5","O=C(O)OC2CC1C(OCC1O)C2;O[CH]1CO[CH]2C[CH](C[CH]12)OC(O)=O;C1C(CC2C1C(CO2)O)OC(=O)O","InChI=1S/C8H12O5/c9-6-3-12-7-2-4(1-5(6)7)13-8(10)11/h4-7,9H,1-3H2,(H,10,11)/t4-,5-,6+,7-/m1/s1","","2011-07-28","2012-01-13","(3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl hydrogen carbonate",""],["RTU","(1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H16 N2 O4","O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]ccc4c3;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)cc[nH]4)C(=O)O","InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/m1/s1","","2022-06-23","2022-07-01","(1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-06"],["031","(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate","C30 H39 N3 O8 S","O=C1NC(CC1)CN(S(=O)(=O)c2ccc(OC)cc2)CC(O)C(NC(=O)OC4CC3C(OCC3)C4)Cc5ccccc5;COc1ccc(cc1)[S](=O)(=O)N(C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4CCO[CH]4C3)C[CH]5CCC(=O)N5;COc1ccc(cc1)S(=O)(=O)N(CC2CCC(=O)N2)CC(C(Cc3ccccc3)NC(=O)OC4CC5CCOC5C4)O","InChI=1S/C30H39N3O8S/c1-39-23-8-10-25(11-9-23)42(37,38)33(18-22-7-12-29(35)31-22)19-27(34)26(15-20-5-3-2-4-6-20)32-30(36)41-24-16-21-13-14-40-28(21)17-24/h2-6,8-11,21-22,24,26-28,34H,7,12-19H2,1H3,(H,31,35)(H,32,36)/t21-,22+,24+,26-,27+,28+/m0/s1","","2009-04-22","2011-06-04","(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate",""],["RTV","2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol","C8 H15 N O5","OC1C(C(NC(C)=O)COC1CO)O;CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O;CC(=O)NC1COC(C(C1O)O)CO","InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1","","2020-02-25","2023-09-20","2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol","2020-07-29"],["032","N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide","C23 H18 Cl F2 N3 O3 S","O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4ccc(Cl)cc4)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F","InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)","Vemurafenib; PLX4032","2010-08-17","2020-05-22","N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide",""],["RTW","2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione","C18 H21 N5 O S","COc1ccccc1c2nc3C(=S)N=C(N)Nc3n2C4CCCCC4;COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N","InChI=1S/C18H21N5OS/c1-24-13-10-6-5-9-12(13)15-20-14-16(21-18(19)22-17(14)25)23(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H3,19,21,22,25)","TH8321","2020-10-20","2021-05-28","2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione","2021-06-02"],["033","N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE","C26 H24 N2 O6 S","O=C(O)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c4oc3ccccc3c4)C(C)C;CC(C)[CH](N[S](=O)(=O)c1ccc(cc1)c2ccc(NC(=O)c3oc4ccccc4c3)cc2)C(O)=O;CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3","InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1","WAY033","2005-06-10","2020-06-17","N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]biphenyl-4-yl}sulfonyl)-L-valine",""],["034","5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid","C28 H22 Cl2 N2 O4","O=C(O)c2nc1ccc(cc1c2)c5ccc(OCc4c(onc4c3c(Cl)cccc3Cl)C(C)C)cc5;CC(C)c1onc(c1COc2ccc(cc2)c3ccc4[nH]c(cc4c3)C(O)=O)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O","InChI=1S/C28H22Cl2N2O4/c1-15(2)27-20(26(32-36-27)25-21(29)4-3-5-22(25)30)14-35-19-9-6-16(7-10-19)17-8-11-23-18(12-17)13-24(31-23)28(33)34/h3-13,15,31H,14H2,1-2H3,(H,33,34)","","2011-05-10","2011-09-16","5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid",""],["RTX","4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine","C20 H25 Cl N2 O","Clc2cc1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC;CCN(CC)CCCCN1c2ccccc2Oc3ccc(Cl)cc13;CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl","InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3","10-DEBC","2013-09-10","2021-03-01","4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine","2014-02-26"],["035","(2S)-2,7-bis(phosphonooxy)heptanoic acid","C7 H16 O10 P2","O=C(O)C(OP(=O)(O)O)CCCCCOP(=O)(O)O;OC(=O)[CH](CCCCCO[P](O)(O)=O)O[P](O)(O)=O;C(CCC(C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O","InChI=1S/C7H16O10P2/c8-7(9)6(17-19(13,14)15)4-2-1-3-5-16-18(10,11)12/h6H,1-5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)/t6-/m0/s1","","2010-11-09","2011-06-04","(2S)-2,7-bis(phosphonooxy)heptanoic acid",""],["RTY","4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid","C14 H20 Br N O4","BrCC(O)C(N)Cc1ccc(OCCCC(=O)O)cc1;N[CH](Cc1ccc(OCCCC(O)=O)cc1)[CH](O)CBr;c1cc(ccc1CC(C(CBr)O)N)OCCCC(=O)O","InChI=1S/C14H20BrNO4/c15-9-13(17)12(16)8-10-3-5-11(6-4-10)20-7-1-2-14(18)19/h3-6,12-13,17H,1-2,7-9,16H2,(H,18,19)/t12-,13-/m0/s1","","2009-07-01","2024-09-27","4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid",""],["RTZ","10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine","C21 H26 N2 S2","S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C;CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c1;CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC","InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m1/s1","","2011-08-10","2012-08-03","10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine",""],["036","(2R)-2,7-bis(phosphonooxy)heptanoic acid","C7 H16 O10 P2","O=C(O)C(OP(=O)(O)O)CCCCCOP(=O)(O)O;OC(=O)[CH](CCCCCO[P](O)(O)=O)O[P](O)(O)=O;C(CCC(C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O","InChI=1S/C7H16O10P2/c8-7(9)6(17-19(13,14)15)4-2-1-3-5-16-18(10,11)12/h6H,1-5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)/t6-/m1/s1","","2010-11-09","2011-06-04","(2R)-2,7-bis(phosphonooxy)heptanoic acid",""],["RU","RUTHENIUM ION","Ru","[Ru+3];[Ru+3];[Ru+3]","InChI=1S/Ru/q+3","","2003-02-14","2011-06-04","ruthenium(3+)",""],["037","(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid","C8 H13 N O2","O=C(O)C1NCC2CCCC12;OC(=O)[CH]1NC[CH]2CCC[CH]12;C1CC2CNC(C2C1)C(=O)O","InChI=1S/C8H13NO2/c10-8(11)7-6-3-1-2-5(6)4-9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1","","2011-08-08","2012-08-31","(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid","2012-08-31"],["RU0","Tetrakis(acetato)chloridodiruthenium(II,III)","C8 H12 Cl2 O8 Ru2","Cl[Ru]2314oc(o[Ru]4(Cl)(oc(o1)C)(oc(o2)C)oc(o3)C)C;CC1=O|[Ru]|234(Cl)|O=C(C)O[Ru]|2(Cl)(|O=C(C)O3)(|O=C(C)O4)O1;CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl","InChI=1S/4C2H4O2.2ClH.2Ru/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H;;/q;;;;;;2*+3/p-6","","2014-03-11","2014-06-13","bis(mu-acetato-kappaO:kappaO')[bis(mu-acetato-kappaO':kappaO)]dichlorodiruthenium(Ru-Ru)","2014-06-18"],["038","3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid","C34 H46 N10 O8","CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](N)CNC(=O)c1[nH]nnn1)C(C)C)C(=O)NC[C](O)(CCc2ccccc2)C(=O)Nc3cccc(c3)C(O)=O;CC(C)CC(C(=O)NCC(CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)C(C(C)C)NC(=O)C(CNC(=O)c3[nH]nnn3)N","InChI=1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25-,26-,34+/m0/s1","","2010-05-14","2012-01-05","3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid",""],["RU1","bis(oxidaniumylidynemethyl)ruthenium(2+)","C2 O2 Ru","[O+]#C[Ru+2]C#[O+];[O+]#C[Ru++]C#[O+];C(#[O+])[Ru+2]C#[O+]","InChI=1S/2CO.Ru/c2*1-2;/q2*+1;+2","","2014-07-02","2014-12-26","dicarbonylruthenium(4+)","2014-12-31"],["039","2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE","C21 H15 Cl N6 O2 S","Clc2cccc3N=C(N(c1ccccc1OC)C(=O)c23)CSc5ncnc4c5ncn4;COc1ccccc1N2C(=O)c3c(Cl)cccc3N=C2CSc4ncnc5[nH]cnc45;COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4","InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)","PIK-39","2006-03-16","2021-03-01","5-chloro-3-(2-methoxyphenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]quinazolin-4(3H)-one",""],["RU2","pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium","C H10 O6 Ru","[OH2+][Ru]([OH2+])([OH2+])([OH2+])([OH2+])C#[O+];C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+]","InChI=1S/CO.5H2O.Ru/c1-2;;;;;;/h;5*1H2;/q+1;;;;;;+5","","2017-06-27","2025-11-11","pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium","2017-07-26"],["03A","(3S)-3-amino-N-cyclopropyl-2-oxohexanamide","C9 H16 N2 O2","O=C(C(=O)NC1CC1)C(N)CCC;CCC[CH](N)C(=O)C(=O)NC1CC1;CCCC(C(=O)C(=O)NC1CC1)N","InChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)/t7-/m0/s1","","2011-08-08","2021-04-23","(3S)-3-amino-N-cyclopropyl-2-oxohexanamide","2012-08-31"],["RU3","ruthenium(6+) formate azanide tetraamino(formato-kappaO)oxidoruthenate(1-) (1/1/4/1)","C2 H18 N8 O5 Ru2","N[Ru](O[Ru](N)(N)(N)(N)OC=O)(N)(N)(N)OC=O;N[Ru](N)(N)(N)(OC=O)O[Ru](N)(N)(N)(N)OC=O;C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O","InChI=1S/2CH2O2.8H2N.O.2Ru/c2*2-1-3;;;;;;;;;;;/h2*1H,(H,2,3);8*1H2;;;/q;;8*-1;;2*+5/p-2","","2019-11-26","2020-02-21","ruthenium(6+) formate azanide tetraamino(formato-kappaO)oxidoruthenate(1-) (1/1/4/1)","2020-02-26"],["03B","5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid","C47 H50 Cl N7 O6 S2","[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc3ccc(cc3)N7CCN(c6cccc(c5c(c4ccc(Cl)cc4)n(c(c5C(=O)O)C)C)c6)CC7;CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)Nc3ccc(cc3)N4CCN(CC4)c5cccc(c5)c6c(n(C)c(C)c6C(O)=O)c7ccc(Cl)cc7;Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NC(CCN(C)C)CSc7ccccc7)C(=O)O","InChI=1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/m1/s1","","2011-07-07","2012-06-29","5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid",""],["03C","[5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone","C23 H26 N4 O3 S","O=S(=O)(N4CCC(c3cccc(C(=O)c1c(N)n(nc1)c2ccccc2C)c3)CC4)C;Cc1ccccc1n2ncc(c2N)C(=O)c3cccc(c3)C4CCN(CC4)[S](C)(=O)=O;Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N","InChI=1S/C23H26N4O3S/c1-16-6-3-4-9-21(16)27-23(24)20(15-25-27)22(28)19-8-5-7-18(14-19)17-10-12-26(13-11-17)31(2,29)30/h3-9,14-15,17H,10-13,24H2,1-2H3","","2010-11-09","2011-06-04","[5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone",""],["RU4","4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate","C11 H11 N3 O2 S","N(C(Oc1ccc(cc1)c2nnsc2)=O)CC;CCNC(=O)Oc1ccc(cc1)c2csnn2;CCNC(=O)Oc1ccc(cc1)c2csnn2","InChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)","","2020-02-25","2020-03-27","4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate","2020-04-01"],["RU5","2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE","C20 H14 Cl N3 O2","Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3)cc4;NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4ccc(Cl)cc4)cc3;c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl","InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)","","2011-11-28","2014-09-05","2-[4-(4-chlorophenoxy)phenyl]-1H-benzimidazole-6-carboxamide","2012-10-05"],["03D","(2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide","C30 H49 N O5","O=C(NC(CC1CCCCC1)C(O)C(O)CC(C)C)C(CC2CC2)CC(O)C(O)Cc3ccccc3;CC(C)C[CH](O)[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](CC2CC2)C[CH](O)[CH](O)Cc3ccccc3;CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2CC2)CC(C(Cc3ccccc3)O)O)O)O","InChI=1S/C30H49NO5/c1-20(2)15-28(34)29(35)25(17-21-9-5-3-6-10-21)31-30(36)24(16-23-13-14-23)19-27(33)26(32)18-22-11-7-4-8-12-22/h4,7-8,11-12,20-21,23-29,32-35H,3,5-6,9-10,13-19H2,1-2H3,(H,31,36)/t24-,25+,26+,27+,28+,29-/m1/s1","","2011-08-12","2011-08-19","(2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide",""],["RU6","(3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-1-[4-(4-PYRIDIN-3-YL-1H-IMIDAZOL-1-YL)BUTYL]-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL 2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBO-HEXOPYRANOSIDE","C51 H81 N5 O13","O=C6OC(CC)C3(OC(=O)N(CCCCn1cc(nc1)c2cccnc2)C3C(C(=O)C(C)CC(OC)(C)C(OC4OC(C)CC(N(C)C)C4O)C(C(OC5OC(C(O)C(OC)(C5)C)C)C6C)C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]4N(CCCCn5cnc(c5)c6cccnc6)C(=O)O[C]14C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C","InChI=1S/C51H81N5O13/c1-15-38-51(10)43(56(48(61)69-51)22-17-16-21-55-27-36(53-28-55)35-19-18-20-52-26-35)31(4)40(57)29(2)24-50(9,63-14)45(68-47-41(58)37(54(11)12)23-30(3)64-47)32(5)42(33(6)46(60)66-38)67-39-25-49(8,62-13)44(59)34(7)65-39/h18-20,26-34,37-39,41-45,47,58-59H,15-17,21-25H2,1-14H3/t29-,30-,31+,32+,33-,34+,37+,38-,39+,41-,42+,43-,44+,45-,47+,49-,50-,51-/m1/s1","(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-OXAN-2-YL]OXY-13-ETHYL-9-[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYL-OXAN-2-YL]OXY-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-[4-(4-PYRIDIN-3-YLIMIDAZOL-1-YL)BUTYL]-12,15-DIOXA-17-AZABICYCLO[12.3.0]HEPTADECANE-3,11,16-TRIONE","2007-01-17","2021-03-13","(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside",""],["03E","1-aminocycloheptanecarboxylic acid","C8 H15 N O2","O=C(O)C1(N)CCCCCC1;NC1(CCCCCC1)C(O)=O;C1CCCC(CC1)(C(=O)O)N","InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)","","2011-08-14","2024-09-27","1-aminocycloheptanecarboxylic acid",""],["RU7","PARA-CYMENE RUTHENIUM CHLORIDE","C10 H14 Cl2 Ru","Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C;CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C;CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl","InChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2","","2005-05-13","2013-03-25","dichlororuthenium; 1-methyl-4-[(2R)-propan-2-yl]benzene",""],["03F","(9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide","C42 H79 N O8","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O","InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1","N-(9Z-octadecenoyl)-1--glucosyl-sphing-4-enine","2011-08-21","2020-06-17","(9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide",""],["03G","N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide","C17 H24 Cl N3 O2","Clc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C;CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc2ccc(Cl)cc2;CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C","InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)","NBD-556","2011-08-24","2021-03-01","N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide",""],["RU8","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)","C34 H26 I N7 O Ru","ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccccc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10;[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9cc(NC(=O)CI)c%10cccn|3c%10c89;c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61","InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H,8H2,(H,18,19);2*1-8H;/q;;;+2","","2010-07-20","2024-09-27","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)",""],["RU9","2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE","C20 H15 N3 O3","O=C(c3ccc4nc(c2ccc(Oc1cccc(O)c1)cc2)nc4c3)N;NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4cccc(O)c4)cc3;c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O","InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23)","","2011-11-28","2014-09-05","2-[4-(3-hydroxyphenoxy)phenyl]-1H-benzimidazole-6-carboxamide","2012-10-05"],["03H","(2S)-2-chloro-4-methylpentanoic acid","C6 H11 Cl O2","ClC(C(=O)O)CC(C)C;CC(C)C[CH](Cl)C(O)=O;CC(C)CC(C(=O)O)Cl","InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1","(S)-alpha-chloroisocaproate","2011-09-28","2021-03-01","(2S)-2-chloro-4-methylpentanoic acid","2012-09-28"],["RUA","(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE)","C32 H56 N6 Ru","N92C(C1N(CCC(C1)C)[Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCCC7)CC(=CC9)C;C[CH]1CCN2[CH](C1)[CH]3CC(=CCN3[Ru]245(N6CCCC[CH]6[CH]7CCCCN47)N8CCCC[CH]8[CH]9CCCCN59)C;CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C","InChI=1S/C12H20N2.2C10H18N2.Ru/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3,10-12H,4-8H2,1-2H3;2*9-10H,1-8H2;/q3*-2;+6/t10-,11?,12?;2*9-,10?;/m011./s1","","2005-05-26","2024-09-27","[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium",""],["03I","(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide","C25 H34 N2 O6 S","O=S(=O)(C)C(C(=O)NO)(C)CCc1ccc(cc1)c3ccc(OCCCN2CCOCC2)cc3;C[C](CCc1ccc(cc1)c2ccc(OCCCN3CCOCC3)cc2)(C(=O)NO)[S](C)(=O)=O;CC(CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1","","2011-10-04","2011-12-30","(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide",""],["03J","3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid","C19 H16 O2 S","O=C(O)CCc3ccc(c2scc(c1ccccc1)c2)cc3;OC(=O)CCc1ccc(cc1)c2scc(c2)c3ccccc3;c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O","InChI=1S/C19H16O2S/c20-19(21)11-8-14-6-9-16(10-7-14)18-12-17(13-22-18)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2,(H,20,21)","","2011-09-29","2012-01-13","3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid",""],["RUB","RIBULOSE-1,5-DIPHOSPHATE","C5 H12 O11 P2","O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1","","1999-07-08","2011-06-04","1,5-di-O-phosphono-D-ribulose",""],["03K","N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide","C14 H14 N4 O2","O=C(Nc1nnc(c1)C2CC2)c3ccc(C(=O)N)cc3;NC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3;c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3","InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20)","","2011-04-05","2013-04-26","N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide","2013-05-01"],["RUC","(eta6-benzene)ruthenium","C6 H6 Ru","[Ru].C1=CC=CC=C1;[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63","InChI=1S/C6H6.Ru/c1-2-4-6-5-3-1;/h1-6H;","","2008-06-09","2023-09-23","",""],["RUD","[ethane6-3-(p-tolyl)propanoic acid]Ru(1,3,5-triaza-7-phosphaadamantane)Cl2","C16 H24 Cl2 N3 O2 P Ru","[Ru](P13CN2CN(C1)CN(C2)C3)(Cl)Cl.c1(C)ccc(cc1)CCC(=O)O;Cc1ccc(CCC(O)=O)cc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4;Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl","InChI=1S/C10H12O2.C6H12N3P.2ClH.Ru/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h2-5H,6-7H2,1H3,(H,11,12);1-6H2;2*1H;/q;;;;+1/p-1","","2015-08-21","2017-10-06","3-(4-methylphenyl)propanoic acid - dichloro(1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-yl)ruthenium (1:1)","2017-10-11"],["03L","2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid","C21 H14 Cl3 N O3 S","Clc3cc(Cl)ccc3Sc1cccc(Cl)c1CNC(=O)c2ccccc2C(=O)O;OC(=O)c1ccccc1C(=O)NCc2c(Cl)cccc2Sc3ccc(Cl)cc3Cl;c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O","InChI=1S/C21H14Cl3NO3S/c22-12-8-9-19(17(24)10-12)29-18-7-3-6-16(23)15(18)11-25-20(26)13-4-1-2-5-14(13)21(27)28/h1-10H,11H2,(H,25,26)(H,27,28)","","2011-08-18","2012-03-30","2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid",""],["RUE","3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid","C18 H18 N2 O6","ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2cccc(c2)C(O)=O;c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO","InChI=1S/C18H18N2O6/c21-16(19-26)11-20(9-12-3-1-5-14(7-12)17(22)23)10-13-4-2-6-15(8-13)18(24)25/h1-8,26H,9-11H2,(H,19,21)(H,22,23)(H,24,25)","3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid; MWT-S-270; CHEMBL4216076","2020-10-20","2021-02-26","3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid","2021-03-03"],["03M","(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione","C20 H14 Cl F2 N3 O2","Clc1ccc2c(c1C)ncc2/C=C3/C(=O)N(C(=O)N3)Cc4cc(F)c(F)cc4;Cc1c(Cl)ccc2c(c[nH]c12)C=C3NC(=O)N(Cc4ccc(F)c(F)c4)C3=O;Cc1c(ccc2c1[nH]cc2C=C3C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl","InChI=1S/C20H14ClF2N3O2/c1-10-14(21)4-3-13-12(8-24-18(10)13)7-17-19(27)26(20(28)25-17)9-11-2-5-15(22)16(23)6-11/h2-8,24H,9H2,1H3,(H,25,28)/b17-7-","","2011-10-04","2012-06-22","(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione",""],["RUF","7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione","C18 H21 Cl N6 O2","Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4CCNCC4;CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4ccccc4Cl)c2C1=O;CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C","InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3","","2009-02-03","2011-06-04","7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione",""],["03N","4-(aminomethyl)piperidine-1-carboximidamide","C7 H16 N4","[N@H]=C(N)N1CCC(CN)CC1;NCC1CCN(CC1)C(N)=N;C1CN(CCC1CN)C(=N)N","InChI=1S/C7H16N4/c8-5-6-1-3-11(4-2-6)7(9)10/h6H,1-5,8H2,(H3,9,10)","","2011-09-30","2012-01-13","4-(aminomethyl)piperidine-1-carboximidamide",""],["RUG","1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole","C9 H15 N3 O6","n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(CO)nn2;c1c(nnn1C2C(C(C(C(O2)CO)O)O)O)CO","InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1","1-beta-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole; 1-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole;\n1-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole","2009-02-05","2020-07-17","1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole",""],["03O","4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid","C15 H18 N6 O3","O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C;CN1[CH](CNc2ccc(cc2)C(O)=O)CNC3=C1C(=O)NC(=N3)N;CN1C(CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O","InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1","5-methyl tetrahydropteroic acid","2011-11-04","2024-09-27","4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid",""],["RUH","(ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl","C16 H22 Cl N2 Ru","[Ru]493215(C=68C1=C2C3=C4C5=6CC=7CC=CCC=7C8)(NCCN9)Cl;NCCN.Cl[Ru].C1C=CCC2=C1CC3=C(C2)C=CC=C3;C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl","InChI=1S/C14H10.C2H6N2.ClH.Ru/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3-1-2-4;;/h1-2H,5-6,9-10H2;3-4H,1-2H2;1H;/q;-2;;+3/p-1","","2015-07-29","2016-05-27","chloro(ethane-1,2-diylbisazanido-kappaN)[(1,2,3,4,4a,9a-eta)-5,8,9,10-tetrahydroanthracene-1,2,3,4-tetrayl]ruthenium","2016-06-01"],["03P","N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide","C26 H25 Cl F3 N5 O3","FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CC(O)(C)C)ccc4;CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12;CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O","InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)","TAK-285","2010-11-30","2021-03-01","N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide",""],["RUI","Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium","C18 H7 N2 O2 Ru","[Ru]|1|2|3|45(|[C-]#[O+])(|C6C|1=C|2C|3=C|46)|n7cccc8ccc9c(=O)[nH]cc5c9c78;c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O","InChI=1S/C12H7N2O.C5H.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12;1-2-4-5-3-1;1-2;/h1-4,6-7H,(H,14,15);1H;;","","2013-07-23","2014-05-16","","2014-05-21"],["03Q","2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol","C22 H19 Cl F3 N5 O3","FC(F)(F)c4cc(Oc1ncc(cc1Cl)Nc2ncnc3c2n(cc3)CCOCCO)ccc4;OCCOCCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12;c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F","InChI=1S/C22H19ClF3N5O3/c23-17-11-15(12-27-21(17)34-16-3-1-2-14(10-16)22(24,25)26)30-20-19-18(28-13-29-20)4-5-31(19)6-8-33-9-7-32/h1-5,10-13,32H,6-9H2,(H,28,29,30)","","2010-11-30","2011-06-04","2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol",""],["RUJ","3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE","C7 H17 N2 O2","O=C(O)CCN([N+](C)(C)C)C;CN(CCC(O)=O)[N+](C)(C)C;CN(CCC(=O)O)[N+](C)(C)C","InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3/p+1","","2013-04-03","2014-09-05","2-(2-carboxyethyl)-1,1,1,2-tetramethylhydrazinium","2014-03-12"],["03R","2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}-3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]-2-PYRIDINYL}OXY)BENZOIC ACID","C29 H26 F2 N4 O4","O=C(O)c4c(Oc2nc(Oc1cc(C(=[N@H])N)ccc1)c(F)c(c2F)NC(C)CCc3ccccc3)cccc4;C[CH](CCc1ccccc1)Nc2c(F)c(Oc3cccc(c3)C(N)=N)nc(Oc4ccccc4C(O)=O)c2F;[H]N=C(c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)NC(C)CCc4ccccc4)F)N","InChI=1S/C29H26F2N4O4/c1-17(14-15-18-8-3-2-4-9-18)34-25-23(30)27(38-20-11-7-10-19(16-20)26(32)33)35-28(24(25)31)39-22-13-6-5-12-21(22)29(36)37/h2-13,16-17H,14-15H2,1H3,(H3,32,33)(H,34,35)(H,36,37)/t17-/m0/s1","","2005-08-01","2011-06-04","2-{[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-{[(1S)-1-methyl-3-phenylpropyl]amino}pyridin-2-yl]oxy}benzoic acid",""],["RUL","tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)","C64 H44 N14 Ru2","n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20;[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11;C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51","InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2","","2013-08-26","2013-09-27","tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)","2013-10-02"],["03S","methanesulfonic acid","C H4 O3 S","O=S(=O)(O)C;C[S](O)(=O)=O;CS(=O)(=O)O","InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)","","2011-09-30","2024-09-27","methanesulfonic acid",""],["03T","1-benzothiophene-2-sulfonamide","C8 H7 N O2 S2","O=S(=O)(c2sc1ccccc1c2)N;N[S](=O)(=O)c1sc2ccccc2c1;c1ccc2c(c1)cc(s2)S(=O)(=O)N","InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)","","2011-10-05","2011-10-14","1-benzothiophene-2-sulfonamide",""],["RUM","2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile","C17 H18 Br N5 O","N#Cc1ccccc1CN3C(=O)C(Br)=CN=C3N2CC(N)CCC2;N[CH]1CCCN(C1)C2=NC=C(Br)C(=O)N2Cc3ccccc3C#N;c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCCC(C3)N)Br)C#N","InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1","","2009-02-03","2011-06-04","2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile",""],["RUN","2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE","C38 H46 N4 O5","O=C(OCc1ccccc1)NC(C(=O)NC(C(O)CC(c2ncc(n2)C(=O)C(C)C)Cc3ccccc3)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)c4[nH]c(cn4)C(=O)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4","InChI=1S/C38H46N4O5/c1-25(2)34(42-38(46)47-24-29-18-12-7-13-19-29)37(45)41-31(21-28-16-10-6-11-17-28)33(43)22-30(20-27-14-8-5-9-15-27)36-39-23-32(40-36)35(44)26(3)4/h5-19,23,25-26,30-31,33-34,43H,20-22,24H2,1-4H3,(H,39,40)(H,41,45)(H,42,46)/t30-,31+,33+,34+/m1/s1","SB206343","1999-07-08","2020-06-17","N-{(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl}-N~2~-[(benzyloxy)carbonyl]-L-valinamide",""],["03U","methyl 4-{[(2Z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate","C20 H17 F N2 O4","O=C(Nc1cc(c(cc1)c2ccc(F)cc2)C(=O)OC)C(/C#N)=C(O)CC;CCC(O)=C(C#N)C(=O)Nc1ccc(c2ccc(F)cc2)c(c1)C(=O)OC;CCC(=C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)O","InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,24H,3H2,1-2H3,(H,23,25)/b18-17-","","2011-10-05","2011-11-11","methyl 4-{[(2Z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate",""],["RUO","oxo-centered triruthenium cluster","O Ru3","[Ru][O]([Ru])[Ru];O([Ru])([Ru])[Ru]","InChI=1S/O.3Ru","","2011-01-06","2011-04-22","",""],["03V","naphthalen-2-ol","C10 H8 O","Oc2ccc1c(cccc1)c2;Oc1ccc2ccccc2c1;c1ccc2cc(ccc2c1)O","InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H","2-Naphtol","2011-10-10","2020-06-17","naphthalen-2-ol",""],["RUP","(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE","C29 H37 N5 O2","O=C(NCCc1ccccc1)C(NC(=O)NC23CC4CC(C2)CC(C3)C4)Cc5cc(C(=[N@H])N)ccc5;NC(=N)c1cccc(C[CH](NC(=O)NC23CC4CC(CC(C4)C2)C3)C(=O)NCCc5ccccc5)c1;c1ccc(cc1)CCNC(=O)C(Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4","InChI=1S/C29H37N5O2/c30-26(31)24-8-4-7-20(14-24)15-25(27(35)32-10-9-19-5-2-1-3-6-19)33-28(36)34-29-16-21-11-22(17-29)13-23(12-21)18-29/h1-8,14,21-23,25H,9-13,15-18H2,(H3,30,31)(H,32,35)(H2,33,34,36)/t21-,22+,23-,25-,29-/m1/s1","","2002-02-07","2011-06-04","3-carbamimidoyl-N-(2-phenylethyl)-Nalpha-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]-D-phenylalaninamide",""],["03W","(2R)-propane-1,1,2,3-tetrol","C3 H8 O4","OCC(O)C(O)O;OC[CH](O)C(O)O;C(C(C(O)O)O)O","InChI=1S/C3H8O4/c4-1-2(5)3(6)7/h2-7H,1H2/t2-/m1/s1","","2011-10-11","2011-10-21","(2R)-propane-1,1,2,3-tetrol",""],["RUQ","(dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper","Cu3 H S2","S[Cu][S+]([Cu])[Cu];S[Cu][S+]([Cu])[Cu]","InChI=1S/3Cu.H2S.S/h;;;1H2;/q;;+1;;+1/p-1","","2020-10-20","2021-01-22","dicupriosulfonio(sulfanyl)copper","2021-01-27"],["03X","N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","C29 H25 F N4 O5","Fc3c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(c3)NC(=O)C=5C(=O)N(c4ccccc4)N(C=5C)C;COc1cc2nccc(Oc3ccc(NC(=O)C4=C(C)N(C)N(C4=O)c5ccccc5)cc3F)c2cc1OC;CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC","InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9-19)28(35)32-18-10-11-24(21(30)14-18)39-23-12-13-31-22-16-26(38-4)25(37-3)15-20(22)23/h5-16H,1-4H3,(H,32,35)","","2011-10-13","2012-02-17","N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",""],["RUR","[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium","C34 H36 N4 O4 Ru","O=C(O)CCC1=C(C2=Cc7c(c(c6C=C8N3=C(C=C4C(=C(C5=CC1=N2[Ru]3(N45)n67)CCC(=O)O)C)C(=C8CC)C)C)CC)C;CCC1=C(C)C2=N3|[Ru]45|N6=C(C=c7n4c(=C2)c(C)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C)c8CC)CCC(O)=O;CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C","InChI=1S/C34H38N4O4.Ru/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","MESOPORPHYRIN IX CONTAINING RU","2010-03-23","2021-03-01","[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium",""],["03Y","2-methyl-L-cysteine","C4 H9 N O2 S","O=C(O)C(N)(C)CS;C[C](N)(CS)C(O)=O;CC(CS)(C(=O)O)N","InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1","","2011-05-04","2024-09-27","2-methyl-L-cysteine",""],["03Z","4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide","C16 H14 N4 O3 S2","O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2)N)cc3;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-4-2-1-3-5-10)24-16(20-15)19-11-6-8-12(9-7-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)","","2011-03-29","2012-10-26","4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide","2012-10-26"],["RUS","1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one","C9 H13 N2 O8 P Se","O=P(O)(O)OCC2OC(N1C(=NC(=O)C=C1)[SeH])C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)N=C2[SeH];C1=CN(C(=NC1=O)[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1","","2011-06-02","2011-06-24","1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one",""],["RUT","RUTIN","C27 H30 O16","O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O)C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5;C[CH]1O[CH](OC[CH]2O[CH](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O","InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1","2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE","2004-01-06","2021-03-13","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",""],["040","4-(2-methylphenyl)-2,4-dioxobutanoic acid","C11 H10 O4","O=C(c1ccccc1C)CC(=O)C(=O)O;Cc1ccccc1C(=O)CC(=O)C(O)=O;Cc1ccccc1C(=O)CC(=O)C(=O)O","InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)","","2011-06-06","2012-11-02","4-(2-methylphenyl)-2,4-dioxobutanoic acid","2012-11-02"],["RUU","alpha-L-ribulofuranose","C5 H10 O5","OCC1(O)OCC(O)C1O;OC[C]1(O)OC[CH](O)[CH]1O;C1C(C(C(O1)(CO)O)O)O","InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1","alpha-L-ribulose; L-ribulose; ribulose","2013-12-05","2020-07-17","alpha-L-ribulofuranose","2014-05-28"],["041","2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL","C15 H10 F N O3","Fc3c(O)ccc(c1nc2cc(O)cc(c2o1)C=C)c3;Oc1cc(C=C)c2oc(nc2c1)c3ccc(O)c(F)c3;C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O","InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2","","2004-08-19","2011-06-04","7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol",""],["RUV","4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide","C11 H11 N5 O2","N(C(C)=O)c1ccc(cc1)C(=O)Nn2cnnc2;CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2;CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2","InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)","","2020-02-25","2020-03-27","4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide","2020-04-01"],["042","N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE","C16 H26 N2 O8","O=C(NC(C(=O)NC(C(=O)O)C(C)CC)C(O)C)C1OC1C(=O)OCC;CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)O)C(=O)N[CH]([CH](C)CC)C(O)=O;CCC(C)C(C(=O)O)NC(=O)C(C(C)O)NC(=O)C1C(O1)C(=O)OCC","InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7-,8+,9-,10-,11-,12-/m0/s1","CA042; N-(L-3-TRANS-ETHOXYCARBONYLOXIRANE-2-CARBONYL)-L-THREONYL-L-ISOLEUCINE","2006-01-04","2024-09-27","N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-threonyl-L-isoleucine",""],["RUW","(2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C20 H36 N6 O","CCCCCCCCNc1nc(N[CH](CC)CO)nc2n(cnc12)C(C)C;CCCCCCCCNc1c2c(nc(n1)NC(CC)CO)n(cn2)C(C)C","InChI=1S/C20H36N6O/c1-5-7-8-9-10-11-12-21-18-17-19(26(14-22-17)15(3)4)25-20(24-18)23-16(6-2)13-27/h14-16,27H,5-13H2,1-4H3,(H2,21,23,24,25)/t16-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["043","4-(3-bromophenyl)-2,4-dioxobutanoic acid","C10 H7 Br O4","O=C(c1cc(Br)ccc1)CC(=O)C(=O)O;OC(=O)C(=O)CC(=O)c1cccc(Br)c1;c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O","InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)","","2011-06-06","2012-11-02","4-(3-bromophenyl)-2,4-dioxobutanoic acid","2012-11-02"],["RUX","[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium","C29 H24 N4 O5 Ru","O=C(Oc1c(OC)cccc1OC)C2(C=CC=C2)[Ru]5([C-]#[O+])n6c(c4cc3c(nc(nc3cc45)C)N)cccc6;COc1cccc(OC)c1OC(=O)C2([Ru]3(|[C-]#[O+])|n4ccccc4c5cc6c(N)nc(C)nc6cc35)C=CC=C2;Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC","InChI=1S/C14H11N4.C14H13O4.CO.Ru/c1-9-17-13-6-5-10(8-11(13)14(15)18-9)12-4-2-3-7-16-12;1-16-11-8-5-9-12(17-2)13(11)18-14(15)10-6-3-4-7-10;1-2;/h2-4,6-8H,1H3,(H2,15,17,18);3-9H,1-2H3;;","","2013-09-19","2014-02-07","[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium","2014-02-12"],["044","N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","C30 H27 F N4 O5","Fc3c(Oc1c2ccc(OC)cc2ncc1)ccc(c3)NC(=O)C=5C(=O)N(c4ccccc4)N(C=5C)CC(O)C;COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(C[CH](C)O)N(C4=O)c5ccccc5)cc3F)ccnc2c1;CC1=C(C(=O)N(N1CC(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC","InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m1/s1","","2011-10-14","2012-02-17","N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",""],["045","beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside","C18 H32 O16","O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)COC3(OC(CO)C(O)C3O)CO)CO;OC[CH]1O[CH](O[C]2(CO)O[CH](CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)COC3(C(C(C(O3)CO)O)O)CO)O)O)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1","6-KESTOSE","2011-11-04","2020-07-17","beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside",""],["RUY","4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine","C7 H12 N4 O","N2(c1nonc1N)CCCCC2;Nc1nonc1N2CCCCC2;C1CCN(CC1)c2c(non2)N","InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)","","2020-02-25","2020-03-27","4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine","2020-04-01"],["046","5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide","C28 H30 F3 N7 O3","O=C(Nc5ncnc(Oc1cc4c(cc1)N(C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCN(CC3)C)CC4)c5)C;CN1CCN(CC1)Cc2ccc(NC(=O)N3CCc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F;CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C","InChI=1S/C28H30F3N7O3/c1-18(39)34-25-15-26(33-17-32-25)41-22-5-6-24-19(13-22)7-8-38(24)27(40)35-21-4-3-20(23(14-21)28(29,30)31)16-37-11-9-36(2)10-12-37/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,35,40)(H,32,33,34,39)","","2011-11-10","2012-06-29","5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide",""],["RUZ","[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","C16 H23 N5 O9 S","N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23;c1c(cc2c(c1N)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CO)N)O)O)CO","InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1","SerS7HMDDA","2020-10-21","2020-11-06","[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate","2020-11-11"],["RV0","(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C20 H18 Cl N3 O3 S","Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21;CC[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34;CCC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4","InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["047","1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE","C23 H28 N2","c1cccc2c1c(cn2c3ccc(cc3)C)CNCC4CCCCC4;Cc1ccc(cc1)n2cc(CNCC3CCCCC3)c4ccccc24;Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4","InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3","","2007-04-19","2011-06-04","1-cyclohexyl-N-{[1-(4-methylphenyl)-1H-indol-3-yl]methyl}methanamine",""],["RV1","N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide","C10 H12 N2 O3 S","O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2;Nc1ccc(cc1)[S](=O)(=O)NC(=O)C2CC2;c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2","InChI=1S/C10H12N2O3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)","","2014-07-02","2015-02-27","N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide","2015-03-04"],["048","N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide","C24 H21 F N2 O2","Fc2ccc(cc2NC(=O)c1ccccc1)Nc4cc3c(C(=O)CCCC3)cc4;Fc1ccc(Nc2ccc3C(=O)CCCCc3c2)cc1NC(=O)c4ccccc4;c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O","InChI=1S/C24H21FN2O2/c25-21-13-11-19(15-22(21)27-24(29)16-6-2-1-3-7-16)26-18-10-12-20-17(14-18)8-4-5-9-23(20)28/h1-3,6-7,10-15,26H,4-5,8-9H2,(H,27,29)","","2011-12-14","2012-11-02","N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide","2012-11-02"],["RV2","5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid","C19 H13 Cl N2 O5","OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3;c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3","InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26)","5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid; TM5484; CHEMBL4210355","2020-10-21","2021-02-12","5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid","2021-02-17"],["049","2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol","C14 H19 N O3","O=C(NC(C(O)C1(OC1)C)Cc2ccccc2)C;CC(=O)N[CH](Cc1ccccc1)[CH](O)[C]2(C)CO2;CC(=O)NC(Cc1ccccc1)C(C2(CO2)C)O","InChI=1S/C14H19NO3/c1-10(16)15-12(13(17)14(2)9-18-14)8-11-6-4-3-5-7-11/h3-7,12-13,17H,8-9H2,1-2H3,(H,15,16)/t12-,13+,14+/m0/s1","","2011-11-18","2024-09-27","2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol",""],["RV3","3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid","C18 H14 N4 O3","O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1ccc2[NH]cnc2c1;OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]cnc4c3;c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc[nH]4","InChI=1S/C18H14N4O3/c23-17(10-5-6-14-15(7-10)21-9-20-14)19-8-12-11-3-1-2-4-13(11)22-16(12)18(24)25/h1-7,9,22H,8H2,(H,19,23)(H,20,21)(H,24,25)","","2022-06-23","2022-07-01","3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid","2022-07-06"],["04A","N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)","C24 H24 N6 O2 S3","O=C(Nc1nnc(s1)CCSCCc2nnc(s2)NC(=O)Cc3ccccc3)Cc4ccccc4;O=C(Cc1ccccc1)Nc2sc(CCSCCc3sc(NC(=O)Cc4ccccc4)nn3)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4","InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)","BPTES","2011-11-22","2020-06-17","N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)",""],["04B","2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-D-xylitol","C12 H19 N O2","OCC(C)C(O)C(N)Cc1ccccc1;C[CH](CO)[CH](O)[CH](N)Cc1ccccc1;CC(CO)C(C(Cc1ccccc1)N)O","InChI=1S/C12H19NO2/c1-9(8-14)12(15)11(13)7-10-5-3-2-4-6-10/h2-6,9,11-12,14-15H,7-8,13H2,1H3/t9-,11+,12+/m1/s1","","2011-12-27","2012-07-17","2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-D-xylitol",""],["RV4","N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide","C13 H18 N2 O2","N(C(C)=O)c1ccc(cc1)CN2CCOCC2;CC(=O)Nc1ccc(CN2CCOCC2)cc1;CC(=O)Nc1ccc(cc1)CN2CCOCC2","InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)","","2020-02-25","2020-03-27","N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide","2020-04-01"],["RV5","N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327","C14 H17 N5 O2 S","O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2;c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2","InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)","1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea","2020-10-22","2021-03-13","1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea","2021-03-03"],["04C","1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol","C31 H44 N4 O7","O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(C)CO)Cc2ccc(OC)cc2)C)CN3CCOCC3;COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)[CH](O)[CH](C)CO)cc1;CC(CO)C(C(Cc1ccccc1)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3)O","InChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+,29+/m1/s1","","2011-12-29","2024-09-27","1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol",""],["RV6","(2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol","C23 H27 N7 O","CC[CH](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(cc3)c4ccccn4","InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-10-8-16(9-11-18)19-7-5-6-12-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol","2023-09-13"],["04D","(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol","C9 H21 N O2","OCC(C(O)C(N)CC(C)C)C;CC(C)C[CH](N)[CH](O)[CH](C)CO;CC(C)CC(C(C(C)CO)O)N","InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1","","2012-01-10","2024-09-27","(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol",""],["RV7","4-amino-4,6-dideoxy-alpha-D-glucopyranose","C6 H13 N O4","C1(OC(C(C(C1O)O)N)C)O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N;CC1C(C(C(C(O1)O)O)O)N","InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1","","2020-02-26","2020-08-11","4-amino-4,6-dideoxy-alpha-D-glucopyranose","2020-07-29"],["04E","iodoacetic acid","C2 H3 I O2","ICC(=O)O;OC(=O)CI;C(C(=O)O)I","InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)","","2012-05-07","2024-09-27","iodoacetic acid",""],["RV8","Triglycidyl isocyanurate","C12 H15 N3 O6","O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4;C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4","InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1","1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione","2020-10-22","2021-03-13","1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione","2020-12-02"],["04F","(1S,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C7 H14 N2 O5 S","O=C1NCCC1CC(N)C(O)S(=O)(=O)O;N[CH](C[CH]1CCNC1=O)[CH](O)[S](O)(=O)=O;C1CNC(=O)C1CC(C(O)S(=O)(=O)O)N","InChI=1S/C7H14N2O5S/c8-5(7(11)15(12,13)14)3-4-1-2-9-6(4)10/h4-5,7,11H,1-3,8H2,(H,9,10)(H,12,13,14)/t4-,5-,7?/m0/s1","","2012-06-20","2012-08-31","(1S,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2012-08-31"],["RVA","3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid","C16 H12 O6","O=C(O)c2cccc(O/C(C(=O)O)=Cc1ccccc1)c2O;OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2;c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O)O","InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9-","","2011-05-12","2012-05-10","3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid",""],["04G","7-hydroxy-3H-phenoxazin-3-one","C12 H7 N O3","O=C2C=CC1=Nc3c(OC1=C2)cc(O)cc3;Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1;c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2","InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H","RESORUFIN","2011-10-19","2021-03-01","7-hydroxy-3H-phenoxazin-3-one",""],["RVB","3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid","C13 H14 O6","O=C(O)c1cccc(O/C(C(=O)O)=CC(C)C)c1O;CC(C)C=C(Oc1cccc(C(O)=O)c1O)C(O)=O;CC(C)C=C(C(=O)O)Oc1cccc(c1O)C(=O)O","InChI=1S/C13H14O6/c1-7(2)6-10(13(17)18)19-9-5-3-4-8(11(9)14)12(15)16/h3-7,14H,1-2H3,(H,15,16)(H,17,18)/b10-6-","","2011-05-12","2012-05-10","3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid",""],["04H","(3S)-3-(aminomethyl)piperidine-1-carboximidamide","C7 H16 N4","[N@H]=C(N)N1CCCC(CN)C1;NC[CH]1CCCN(C1)C(N)=N;C1CC(CN(C1)C(=N)N)CN","InChI=1S/C7H16N4/c8-4-6-2-1-3-11(5-6)7(9)10/h6H,1-5,8H2,(H3,9,10)/t6-/m0/s1","","2012-06-24","2014-09-05","(3S)-3-(aminomethyl)piperidine-1-carboximidamide",""],["RVC","3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid","C13 H12 O6","O=C(O)c2c(O)c(OC(=C/C1CC1)C(=O)O)ccc2;OC(=O)C(Oc1cccc(C(O)=O)c1O)=CC2CC2;c1cc(c(c(c1)OC(=CC2CC2)C(=O)O)O)C(=O)O","InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6-","","2011-05-12","2012-05-10","3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid",""],["04J","Aminopterin","C19 H20 N8 O5","O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3N)N)CCC(=O)O;Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2n1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N","InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1","N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid","2011-11-23","2020-06-17","N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid","2013-08-07"],["RVD","3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid","C12 H12 O6","O=C(O)c1cccc(O/C(C(=O)O)=CCC)c1O;CCC=C(Oc1cccc(C(O)=O)c1O)C(O)=O;CCC=C(C(=O)O)Oc1cccc(c1O)C(=O)O","InChI=1S/C12H12O6/c1-2-4-9(12(16)17)18-8-6-3-5-7(10(8)13)11(14)15/h3-6,13H,2H2,1H3,(H,14,15)(H,16,17)/b9-4-","","2011-05-12","2012-05-04","3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid",""],["04K","2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one","C26 H28 F N5 O3","Fc4ccc(OC3=Cc1c(nc(nc1)Nc2ccc(OCCN(CC)CC)cc2)N(C3=O)C)cc4;CCN(CC)CCOc1ccc(Nc2ncc3C=C(Oc4ccc(F)cc4)C(=O)N(C)c3n2)cc1;CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C","InChI=1S/C26H28FN5O3/c1-4-32(5-2)14-15-34-21-12-8-20(9-13-21)29-26-28-17-18-16-23(25(33)31(3)24(18)30-26)35-22-10-6-19(27)7-11-22/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,29,30)","","2010-11-09","2011-06-04","2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one",""],["RVE","3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid","C10 H8 O6","O=C(O)c1cccc(O/C(C(=O)O)=C)c1O;OC(=O)C(=C)Oc1cccc(C(O)=O)c1O;C=C(C(=O)O)Oc1cccc(c1O)C(=O)O","InChI=1S/C10H8O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,11H,1H2,(H,12,13)(H,14,15)","","2011-07-19","2012-05-25","3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid",""],["04L","2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide","C29 H23 N5 O2","O=C(C=Cc1ccccc1)Nc2cc(c(cc2)C)C(=O)Nc4cc5nc(c3ccccc3)nc5nc4;Cc1ccc(NC(=O)C=Cc2ccccc2)cc1C(=O)Nc3cnc4[nH]c(nc4c3)c5ccccc5;Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)C=Cc5ccccc5","InChI=1S/C29H23N5O2/c1-19-12-14-22(31-26(35)15-13-20-8-4-2-5-9-20)16-24(19)29(36)32-23-17-25-28(30-18-23)34-27(33-25)21-10-6-3-7-11-21/h2-18H,1H3,(H,31,35)(H,32,36)(H,30,33,34)/b15-13+","","2010-11-09","2011-06-04","2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide",""],["RVF","3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid","C18 H14 N4 O4","O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1;OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]c(O)nc4c3;c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc([nH]4)O","InChI=1S/C18H14N4O4/c23-16(9-5-6-13-14(7-9)22-18(26)21-13)19-8-11-10-3-1-2-4-12(10)20-15(11)17(24)25/h1-7,20H,8H2,(H,19,23)(H,24,25)(H2,21,22,26)","","2022-06-23","2022-07-01","3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid","2022-07-06"],["04M","5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid","C26 H35 N O7 S","O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3;CCCCCCCCOc1cccc(COc2ccc(cc2C(O)=O)[S](=O)(=O)N3CCOCC3)c1;CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3","InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29)","BPH-1158","2011-06-16","2021-03-01","5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid","2016-09-07"],["RVG","6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose","C8 H16 O5","OC1C(OC)C(OC)C(OC1C)O;CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1OC;CC1C(C(C(C(O1)O)OC)OC)O","InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1","","2020-02-26","2020-07-17","6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose","2020-07-29"],["04N","2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranose","C13 H17 N O5","O1C(O)C(N)C(O)C2OC(OCC12)c3ccccc3;N[CH]1[CH](O)O[CH]2CO[CH](O[CH]2[CH]1O)c3ccccc3;c1ccc(cc1)C2OCC3C(O2)C(C(C(O3)O)N)O","InChI=1S/C13H17NO5/c14-9-10(15)11-8(18-12(9)16)6-17-13(19-11)7-4-2-1-3-5-7/h1-5,8-13,15-16H,6,14H2/t8-,9-,10-,11-,12+,13-/m1/s1","","2012-07-26","2014-09-05","2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranose","2013-08-07"],["RVH","(2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide","C18 H16 N4 O2","C[CH](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3;CC(C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O","InChI=1S/C18H16N4O2/c1-11(22-10-12-6-2-3-7-13(12)17(22)24)16(23)21-18-19-14-8-4-5-9-15(14)20-18/h2-9,11H,10H2,1H3,(H2,19,20,21,23)/t11-/m1/s1","","2022-12-06","2023-09-08","(2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide","2023-09-13"],["04O","2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose","C15 H21 N O5","O1C(O)C(N)C(O)C2OC(OCC12)CCc3ccccc3;N[CH]1[CH](O)O[CH]2CO[CH](CCc3ccccc3)O[CH]2[CH]1O;c1ccc(cc1)CCC2OCC3C(O2)C(C(C(O3)O)N)O","InChI=1S/C15H21NO5/c16-12-13(17)14-10(20-15(12)18)8-19-11(21-14)7-6-9-4-2-1-3-5-9/h1-5,10-15,17-18H,6-8,16H2/t10-,11-,12-,13-,14-,15+/m1/s1","","2012-07-26","2014-09-05","2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose","2013-08-07"],["RVI","(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide","C29 H37 N3 O","O=C(NCC1CCCCC1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C;CCC[CH](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4;CCCC(Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4","InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33)/t23-/m1/s1","2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide","2011-05-10","2020-06-17","(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide",""],["04P","(3R)-3-(hydroxymethyl)piperidine-1-carboximidamide","C7 H15 N3 O","[N@H]=C(N)N1CCCC(CO)C1;NC(=N)N1CCC[CH](CO)C1;C1CC(CN(C1)C(=N)N)CO","InChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m1/s1","","2012-06-22","2014-09-05","(3R)-3-(hydroxymethyl)piperidine-1-carboximidamide",""],["RVJ","3-triazan-1-yl-L-alanine","C3 H10 N4 O2","NC(CNNN)C(=O)O;NNNC[CH](N)C(O)=O;C(C(C(=O)O)N)NNN","InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1","","2020-02-26","2024-09-27","3-triazan-1-yl-L-alanine","2020-07-01"],["04Q","N-benzylglycine","C9 H11 N O2","O=C(O)CNCc1ccccc1;OC(=O)CNCc1ccccc1;c1ccc(cc1)CNCC(=O)O","InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)","","2012-06-22","2024-09-27","N-benzylglycine",""],["RVK","Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere","C16 H25 N5 O14 P2","CO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O;COC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O","InChI=1S/C16H25N5O14P2/c1-30-16-12(25)10(23)7(34-16)3-32-37(28,29)35-36(26,27)31-2-6-9(22)11(24)15(33-6)21-5-20-8-13(17)18-4-19-14(8)21/h4-7,9-12,15-16,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl hydrogen phosphate; J3.653.949F; alpha-1''-O-methyl-ADP ribose","2020-10-23","2021-06-11","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2021-06-16"],["04R","[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid","C10 H11 F3 N2 O2","FC(F)(F)c1nn(c2c1CCCC2)CC(=O)O;OC(=O)Cn1nc(c2CCCCc12)C(F)(F)F;C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1","InChI=1S/C10H11F3N2O2/c11-10(12,13)9-6-3-1-2-4-7(6)15(14-9)5-8(16)17/h1-5H2,(H,16,17)","","2012-08-01","2012-08-03","[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid",""],["RVL","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H21 Cl N4 O3","CNC(=O)C1(CC1)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21;CNC(=O)C1(CC1)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2=O;CNC(=O)C1(CC1)N2CC(c3cc(ccc3C2=O)Cl)C(=O)Nc4cncc5c4cccc5","InChI=1S/C24H21ClN4O3/c1-26-23(32)24(8-9-24)29-13-19(18-10-15(25)6-7-17(18)22(29)31)21(30)28-20-12-27-11-14-4-2-3-5-16(14)20/h2-7,10-12,19H,8-9,13H2,1H3,(H,26,32)(H,28,30)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["04S","(3R)-pyrrolidin-3-amine","C4 H10 N2","NC1CCNC1;N[CH]1CCNC1;C1CNCC1N","InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m1/s1","","2012-08-01","2012-08-03","(3R)-pyrrolidin-3-amine",""],["RVM","4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose","C8 H16 O4","C1C(OC)C(OC)C(OC1C)O;CO[CH]1C[CH](C)O[CH](O)[CH]1OC;CC1CC(C(C(O1)O)OC)OC","InChI=1S/C8H16O4/c1-5-4-6(10-2)7(11-3)8(9)12-5/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1","","2020-02-26","2020-07-17","4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose","2020-07-29"],["04T","N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide","C15 H15 N3 O5 S","O=S(=O)(c2cc(c(Nc1ccc(NC(=O)C)cc1)cc2)[N+]([O-])=O)C;CC(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)[S](C)(=O)=O)cc1;CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C","InChI=1S/C15H15N3O5S/c1-10(19)16-11-3-5-12(6-4-11)17-14-8-7-13(24(2,22)23)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19)","","2012-09-26","2013-12-20","N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide","2013-12-25"],["04U","azanylidene-[(3S,5S)-5-carboxypyrrolidin-3-yl]imino-azanium","C5 H9 N4 O2","O=C(O)C1NCC(/N=[N+]=[N@H])C1;OC(=O)[CH]1C[CH](CN1)N=[N+]=N;C1C(CNC1C(=O)O)N=[N+]=N","InChI=1S/C5H8N4O2/c6-9-8-3-1-4(5(10)11)7-2-3/h3-4,6-7H,1-2H2/p+1/t3-,4-/m0/s1","","2012-10-02","2019-04-14","(4S)-4-triaza-1,2-dien-2-ium-1-yl-L-proline","2013-03-13"],["RVN","5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid","C17 H11 N O5","O=C2Nc1ccccc1/C2=Cc3ccc4OCOc4c3C(=O)O;OC(=O)c1c(ccc2OCOc12)C=C3C(=O)Nc4ccccc34;c1ccc2c(c1)C(=Cc3ccc4c(c3C(=O)O)OCO4)C(=O)N2","InChI=1S/C17H11NO5/c19-16-11(10-3-1-2-4-12(10)18-16)7-9-5-6-13-15(23-8-22-13)14(9)17(20)21/h1-7H,8H2,(H,18,19)(H,20,21)/b11-7+","","2013-12-20","2014-04-15","5-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["RVO","5-chloro-6-{(3R)-3-[(pyridin-4-yl)oxy]pyrrolidin-1-yl}pyrimidin-4-amine","C13 H14 Cl N5 O","Clc1c(ncnc1N)N1CCC(C1)Oc1ccncc1;Nc1ncnc(N2CC[CH](C2)Oc3ccncc3)c1Cl;c1cnccc1OC2CCN(C2)c3c(c(ncn3)N)Cl","InChI=1S/C13H14ClN5O/c14-11-12(15)17-8-18-13(11)19-6-3-10(7-19)20-9-1-4-16-5-2-9/h1-2,4-5,8,10H,3,6-7H2,(H2,15,17,18)/t10-/m1/s1","","2022-06-23","2022-07-08","5-chloro-6-{(3R)-3-[(pyridin-4-yl)oxy]pyrrolidin-1-yl}pyrimidin-4-amine","2022-07-13"],["04V","(2S)-pyrrolidine-2-carboximidic acid","C5 H10 N2 O","[N@H]=C(O)C1NCCC1;OC(=N)[CH]1CCCN1;C1CC(NC1)C(=N)O","InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1","","2012-10-02","2019-04-14","(2S)-pyrrolidine-2-carboximidic acid","2013-03-13"],["RVP","RIBAVIRIN MONOPHOSPHATE","C8 H13 N4 O8 P","O=C(c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC(=O)c1ncn(n1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1nc(nn1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N","InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1","","2002-08-09","2011-06-04","1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide",""],["04W","2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid","C24 H31 N O6","[O-][N+](=O)c2ccc(OCc1cccc(OCCCCCCCCCC)c1)c(c2)C(=O)O;CCCCCCCCCCOc1cccc(COc2ccc(cc2C(O)=O)[N+]([O-])=O)c1;CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-]","InChI=1S/C24H31NO6/c1-2-3-4-5-6-7-8-9-15-30-21-12-10-11-19(16-21)18-31-23-14-13-20(25(28)29)17-22(23)24(26)27/h10-14,16-17H,2-9,15,18H2,1H3,(H,26,27)","BPH-1186","2011-06-17","2021-03-01","2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid","2016-09-07"],["04X","(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid","C11 H18 N2 O3","O=C(O)C1NCC(=CC1)CN2CCOCC2;OC(=O)[CH]1CC=C(CN1)CN2CCOCC2;C1COCCN1CC2=CCC(NC2)C(=O)O","InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1","","2014-06-19","2024-09-27","(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid","2014-07-30"],["RVQ","~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine","C20 H22 Cl2 N8 O","CC(C)n1cnc2c(NCc3[nH]c4cc(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5;CC(C)n1cnc2c1nc(nc2NCc3[nH]c4cc(c(cc4n3)Cl)Cl)N5CCOCC5","InChI=1S/C20H22Cl2N8O/c1-11(2)30-10-24-17-18(27-20(28-19(17)30)29-3-5-31-6-4-29)23-9-16-25-14-7-12(21)13(22)8-15(14)26-16/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,23,27,28)","","2022-12-06","2023-09-08","~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine","2023-09-13"],["04Y","N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide","C20 H23 N3 O","O=C(NC1CC1)C1CCN(CC1)c1cnccc1c1ccccc1;O=C(NC1CC1)C2CCN(CC2)c3cnccc3c4ccccc4;c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4","InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)16-9-12-23(13-10-16)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24)","","2021-06-01","2022-02-18","N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide","2022-02-23"],["RVR","(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C18 H18 Cl N3 O3 S","Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21;Clc1ccc2c(c1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4CCCCc34;c1cc2c(cc1Cl)C(CNS2(=O)=O)C(=O)Nc3cncc4c3CCCC4","InChI=1S/C18H18ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h5-8,10,15,21H,1-4,9H2,(H,22,23)/t15-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["RVS","(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid","C22 H23 N3 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CCC1C(=O)O;OC(=O)[CH]1CCc2ccccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3;c1ccc2c(c1)CCC(C2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C22H23N3O4/c26-20(14-5-8-15(9-6-14)23-22(29)24-16-10-11-16)25-19-17-4-2-1-3-13(17)7-12-18(19)21(27)28/h1-6,8-9,16,18-19H,7,10-12H2,(H,25,26)(H,27,28)(H2,23,24,29)/t18-,19+/m0/s1","","2022-06-23","2022-07-08","(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid","2022-07-13"],["04Z","4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C17 H16 N4 O4 S2","O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(OC)c2)N)cc3;COc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N;COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)","","2011-03-29","2012-10-26","4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["051","(1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID","C26 H23 F N2 O7 S","O=S(=O)(NC1C(C(=O)O)CC(C(=O)O)CC1)c4cc3ccc(OCc2ccc(C#N)cc2F)cc3cc4;OC(=O)[CH]1CC[CH](N[S](=O)(=O)c2ccc3cc(OCc4ccc(cc4F)C#N)ccc3c2)[CH](C1)C(O)=O;c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)NC4CCC(CC4C(=O)O)C(=O)O","InChI=1S/C26H23FN2O7S/c27-23-9-15(13-28)1-2-19(23)14-36-20-6-3-17-11-21(7-4-16(17)10-20)37(34,35)29-24-8-5-18(25(30)31)12-22(24)26(32)33/h1-4,6-7,9-11,18,22,24,29H,5,8,12,14H2,(H,30,31)(H,32,33)/t18-,22-,24+/m1/s1","","2010-08-26","2011-06-04","(1R,3R,4S)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid",""],["RVU","~{N}-(1~{H}-benzimidazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide","C20 H20 N4 O3","COc1ccc(C)cc1N2C[CH](CC2=O)C(=O)Nc3[nH]c4ccccc4n3;Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccccc4n3)OC","InChI=1S/C20H20N4O3/c1-12-7-8-17(27-2)16(9-12)24-11-13(10-18(24)25)19(26)23-20-21-14-5-3-4-6-15(14)22-20/h3-9,13H,10-11H2,1-2H3,(H2,21,22,23,26)/t13-/m0/s1","","2022-12-07","2023-09-08","~{N}-(1~{H}-benzimidazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide","2023-09-13"],["052","N-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide","C29 H32 N6 O3","c4(c1cc(C)c(cc1)C(NC2CC2)=O)cnn5c(NCCN3CCOCC3)cc(nc45)Oc6ccccc6;Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c(NCCN5CCOCC5)cc(Oc6ccccc6)nc34;Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6","InChI=1S/C29H32N6O3/c1-20-17-21(7-10-24(20)29(36)32-22-8-9-22)25-19-31-35-26(30-11-12-34-13-15-37-16-14-34)18-27(33-28(25)35)38-23-5-3-2-4-6-23/h2-7,10,17-19,22,30H,8-9,11-16H2,1H3,(H,32,36)","","2015-04-24","2016-04-22","N-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide","2016-04-27"],["RVV","2,4-dimethylpyridine","C7 H9 N","Cc1cc(C)ncc1;Cc1ccnc(C)c1;Cc1ccnc(c1)C","InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3","","2020-02-27","2021-01-22","2,4-dimethylpyridine","2021-01-27"],["RVW","(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol","C6 H12 O5 S","OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)S)O)O)O)O","InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m0/s1","thioglucose","2020-10-25","2024-09-27","(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol","2020-12-02"],["053","1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid","C21 H15 F3 N4 O3","FC(F)(F)c1cc2c(cc1)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4ccnc(N)c4;Nc1cc(Cn2c3ccc(cc3c(C4=CC=CNC4=O)c2C(O)=O)C(F)(F)F)ccn1;c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O","InChI=1S/C21H15F3N4O3/c22-21(23,24)12-3-4-15-14(9-12)17(13-2-1-6-27-19(13)29)18(20(30)31)28(15)10-11-5-7-26-16(25)8-11/h1-9H,10H2,(H2,25,26)(H,27,29)(H,30,31)","","2011-06-28","2011-08-26","1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid",""],["RVX","O-[methyl(2-methylpropoxy)phosphoryl]-L-serine","C8 H18 N O5 P","O=C(O)C(N)COP(=O)(OCC(C)C)C;CC(C)CO[P](C)(=O)OC[CH](N)C(O)=O;CC(C)COP(=O)(C)OCC(C(=O)O)N","InChI=1S/C8H18NO5P/c1-6(2)4-13-15(3,12)14-5-7(9)8(10)11/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-,15+/m0/s1","","2013-02-04","2024-09-27","O-[(R)-methyl(2-methylpropoxy)phosphoryl]-L-serine","2013-03-27"],["054","1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid","C22 H14 F3 N5 O4 S","FC(F)(F)c1ccc4c(c1)c(N3C(=O)c2cscc2NC3=O)c(C(=O)O)n4Cc5ccnc(N)c5;Nc1cc(Cn2c3ccc(cc3c(N4C(=O)Nc5cscc5C4=O)c2C(O)=O)C(F)(F)F)ccn1;c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O","InChI=1S/C22H14F3N5O4S/c23-22(24,25)11-1-2-15-12(6-11)17(30-19(31)13-8-35-9-14(13)28-21(30)34)18(20(32)33)29(15)7-10-3-4-27-16(26)5-10/h1-6,8-9H,7H2,(H2,26,27)(H,28,34)(H,32,33)","","2011-06-29","2011-08-26","1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid",""],["RVY","(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione","C14 H14 N4 O2","n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C;C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O;CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3","InChI=1S/C14H14N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,20)/t14-/m0/s1","","2020-02-27","2020-07-03","(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione","2020-07-08"],["055","(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid","C27 H22 Cl N3 O4","Clc4cccc(c4NC(=O)Nc3cc1ccccc1cc3C(=O)NC(c2ccccc2)C(=O)O)C;Cc1cccc(Cl)c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[CH](C(O)=O)c4ccccc4;Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)NC(c4ccccc4)C(=O)O)Cl","InChI=1S/C27H22ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h2-15,24H,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1","","2008-06-10","2011-06-04","(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid",""],["RVZ","2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile","C17 H12 N6 S","Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#N;c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N","InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)","","2020-10-25","2021-04-02","2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile","2021-04-07"],["056","3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID","C15 H12 Cl2 O2 S","Clc1cc(Cl)ccc1CSCc2cccc(C(=O)O)c2;OC(=O)c1cccc(CSCc2ccc(Cl)cc2Cl)c1;c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl","InChI=1S/C15H12Cl2O2S/c16-13-5-4-12(14(17)7-13)9-20-8-10-2-1-3-11(6-10)15(18)19/h1-7H,8-9H2,(H,18,19)","","2011-06-04","2014-09-05","3-{[(2,4-dichlorobenzyl)sulfanyl]methyl}benzoic acid",""],["RW0","(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C24 H23 Cl N4 O5 S","CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1c2cc(Cl)ccc2C(=O)N(CC(=O)NC)C1C;CNC(=O)CN1[CH](C)[CH](C(=O)Nc2cncc3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1=O;CC1C(c2cc(ccc2C(=O)N1CC(=O)NC)Cl)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O)C","InChI=1S/C24H23ClN4O5S/c1-13-22(19-9-15(25)4-6-18(19)24(32)29(13)12-21(30)26-2)23(31)28-20-11-27-10-14-8-16(35(3,33)34)5-7-17(14)20/h4-11,13,22H,12H2,1-3H3,(H,26,30)(H,28,31)/t13-,22-/m1/s1","","2023-08-22","2023-11-03","(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["057","N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide","C21 H22 N4 O2","O=C(c1cc2c(cc1)n(cc2c4cc3cccnc3n4)C)NC(C)(C)CO;Cn1cc(c2[nH]c3ncccc3c2)c4cc(ccc14)C(=O)NC(C)(C)CO;CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3","InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27)","","2009-01-09","2011-06-04","N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide",""],["RW1","4-phenylpyrimidine","C10 H8 N2","n1ccc(nc1)c2ccccc2;c1ccc(cc1)c2ccncn2;c1ccc(cc1)c2ccncn2","InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H","6-phenylpyrimidine","2007-11-30","2024-09-27","4-phenylpyrimidine",""],["058","1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid","C22 H15 Cl F N O2","Fc4ccccc4c2c1cc(Cl)ccc1n(c2C(=O)O)Cc3ccccc3;OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1c4ccccc4F;c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl","InChI=1S/C22H15ClFNO2/c23-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)24)21(22(26)27)25(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27)","","2011-06-27","2011-08-26","1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid",""],["RW2","(1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid","C15 H19 N2 O9 P","O=C(O)C2=C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C(=O)O)C2;Cc1ncc(CO[P](O)(O)=O)c(CNC2=C(C[CH](C2)C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(CC(C2)C(=O)O)C(=O)O)O","InChI=1S/C15H19N2O9P/c1-7-13(18)11(9(4-16-7)6-26-27(23,24)25)5-17-12-3-8(14(19)20)2-10(12)15(21)22/h4,8,17-18H,2-3,5-6H2,1H3,(H,19,20)(H,21,22)(H2,23,24,25)/t8-/m0/s1","","2015-02-10","2015-02-20","(1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid","2015-02-25"],["059","(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID","C22 H31 N2 O6 P S","O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCc2ccccc2;CC(C)[CH](N[S](=O)(=O)CCc1ccccc1)[P](O)(=O)C[CH](C(O)=O)c2cccc(CN)c2;CC(C)C(NS(=O)(=O)CCc1ccccc1)P(=O)(CC(c2cccc(c2)CN)C(=O)O)O","InChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-10,13,16,20-21,24H,11-12,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1","","2007-04-20","2011-06-04","(2S)-2-[3-(aminomethyl)phenyl]-3-{(S)-hydroxy[(1R)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid",""],["05A","[(1R,3R,4R,7S)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-[2-[[(1S,3R,4R,7S)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methylamino]-2-oxidanylidene-ethyl]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","C24 H30 N5 O14 P","CC1=CN([CH]2O[C]3(CNC(=O)C[CH]4[CH]5OC[C]4(CO[P](O)(O)=O)O[CH]5N6C=C(C)C(=O)NC6=O)CO[CH]2[CH]3O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)COP(=O)(O)O)CC(=O)NCC45COC(C4O)C(O5)N6C=C(C(=O)NC6=O)C","InChI=1S/C24H30N5O14P/c1-10-4-28(21(34)26-17(10)32)19-14-12(24(43-19,8-39-14)9-41-44(36,37)38)3-13(30)25-6-23-7-40-15(16(23)31)20(42-23)29-5-11(2)18(33)27-22(29)35/h4-5,12,14-16,19-20,31H,3,6-9H2,1-2H3,(H,25,30)(H,26,32,34)(H,27,33,35)(H2,36,37,38)/t12-,14+,15+,16-,19+,20+,23-,24+/m0/s1","","2021-05-28","2023-03-09","[(1~{R},3~{R},4~{R},7~{S})-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-[2-[[(1~{S},3~{R},4~{R},7~{S})-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methylamino]-2-oxidanylidene-ethyl]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","2022-08-03"],["RW3","N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide","C29 H28 N10 O S","O=C(Nc1nc2ccc(cc2s1)c4nn(c3ncnc(N)c34)Cc6cc7ccccc7nc6N5CCN(C)CC5)C;CN1CCN(CC1)c2nc3ccccc3cc2Cn4nc(c5ccc6nc(NC(C)=O)sc6c5)c7c(N)ncnc47;CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N","InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40)","","2009-11-09","2011-06-04","N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide",""],["RW4","3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C27 H26 N10 S","n1c2ccc(cc2sc1N)c4nn(c3ncnc(N)c34)Cc6cc7ccccc7nc6N5CCN(C)CC5;CN1CCN(CC1)c2nc3ccccc3cc2Cn4nc(c5ccc6nc(N)sc6c5)c7c(N)ncnc47;CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N","InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)","","2009-11-09","2011-06-04","3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["05B","2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one","C22 H21 N5 O3","O=C3c1cc(nc1C2(CCNCC2)CN3)c4nc(ncc4)c5ccc6OCOc6c5;O=C1NCC2(CCNCC2)c3[nH]c(cc13)c4ccnc(n4)c5ccc6OCOc6c5;c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2","InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)","","2011-03-17","2011-06-04","2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one",""],["RW5","[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone","C18 H20 N4 O2","CC1CCN(C(C1)c1ccc(C)o1)C(=O)c1ncnc2[NH]ccc21;C[CH]1CCN([CH](C1)c2oc(C)cc2)C(=O)c3ncnc4[nH]ccc34;Cc1ccc(o1)C2CC(CCN2C(=O)c3c4cc[nH]c4ncn3)C","InChI=1S/C18H20N4O2/c1-11-6-8-22(14(9-11)15-4-3-12(2)24-15)18(23)16-13-5-7-19-17(13)21-10-20-16/h3-5,7,10-11,14H,6,8-9H2,1-2H3,(H,19,20,21)/t11-,14-/m0/s1","","2022-06-23","2022-07-08","[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone","2022-07-13"],["05C","7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine","C29 H38 N6 O","C[CH]1CNCCN1c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(C)c56;Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNCC5C)OCC6CCCN6C)C3","InChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1","","2021-06-01","2021-12-24","7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine","2021-12-29"],["05D","N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide","C17 H23 N5 O","CN(C)C(=O)C1CCN(CC1)c1cnccc1n1cc(C)cn1;CN(C)C(=O)C1CCN(CC1)c2cnccc2n3cc(C)cn3;Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C","InChI=1S/C17H23N5O/c1-13-10-19-22(12-13)15-4-7-18-11-16(15)21-8-5-14(6-9-21)17(23)20(2)3/h4,7,10-12,14H,5-6,8-9H2,1-3H3","","2021-06-01","2022-02-18","N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide","2022-02-23"],["RW6","2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one","C18 H19 N3 O3 S","COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC;COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)C3","InChI=1S/C18H19N3O3S/c1-23-14-7-12-13(8-15(14)24-2)19-17(20-18(12)22)10-21-5-3-16-11(9-21)4-6-25-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,20,22)","","2022-12-07","2023-09-08","2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one","2023-09-13"],["05E","2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","C8 H18 N O9 P","NCCO[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C(COP(=O)(O)OC1C(C(C(OC1O)CO)O)O)N","InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)18-7-6(12)5(11)4(3-10)17-8(7)13/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1","","2022-01-19","2022-04-22","2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","2022-04-27"],["RW7","(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","C14 H18 N2 O2","N2c1ccccc1C(=O)N(C)C(C)(CCC)C2=O;CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O;CCCC1(C(=O)Nc2ccccc2C(=O)N1C)C","InChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m0/s1","","2020-02-27","2020-07-03","(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","2020-07-08"],["05F","4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine","C30 H38 N6 O","CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4[CH]5CC[CH]4CNC5)c6cccc7cccc(C)c67;Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C6CCC5CNC6)OCC7CCCN7C)C3","InChI=1S/C30H38N6O/c1-20-6-3-7-21-8-4-10-27(28(20)21)35-15-13-25-26(18-35)32-30(37-19-24-9-5-14-34(24)2)33-29(25)36-22-11-12-23(36)17-31-16-22/h3-4,6-8,10,22-24,31H,5,9,11-19H2,1-2H3/t22-,23+,24-/m0/s1","","2021-06-01","2021-12-24","4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine","2021-12-29"],["RW8","methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate","C13 H15 N O3","COC(=O)CCC(=O)N1CCc2ccccc12;COC(=O)CCC(=O)N1CCc2c1cccc2","InChI=1S/C13H15NO3/c1-17-13(16)7-6-12(15)14-9-8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3","","2020-10-27","2024-09-27","methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate","2021-08-04"],["RW9","2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","C24 H21 Cl N4 O3","CNC(=O)CN1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O;CNC(=O)CN1C[C]2(CCN(C2=O)c3cncc4ccccc34)c5cc(Cl)ccc5C1=O;CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl","InChI=1S/C24H21ClN4O3/c1-26-21(30)13-28-14-24(19-10-16(25)6-7-18(19)22(28)31)8-9-29(23(24)32)20-12-27-11-15-4-2-3-5-17(15)20/h2-7,10-12H,8-9,13-14H2,1H3,(H,26,30)/t24-/m1/s1","","2023-08-22","2023-11-03","2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","2023-11-08"],["05G","6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid","C18 H16 N2 O8 S2","Cc1cc(/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)O)c(cc1S(O)(=O)=O)OC;COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)[S](O)(=O)=O)[S](O)(=O)=O;Cc1cc(c(cc1S(=O)(=O)O)OC)N=Nc2c3ccc(cc3ccc2O)S(=O)(=O)O","InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+","","2021-06-01","2022-05-27","6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid","2022-06-01"],["05H","[(1R,3R,4R,7S)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-[2-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","C23 H30 N5 O13 P","CC1=CN([CH]2C[CH](O)[CH](CNC(=O)C[CH]3[CH]4OC[C]3(CO[P](O)(O)=O)O[CH]4N5C=C(C)C(=O)NC5=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)CC3C4C(OC3(CO4)COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O","InChI=1S/C23H30N5O13P/c1-10-6-27(21(33)25-18(10)31)16-4-13(29)14(40-16)5-24-15(30)3-12-17-20(28-7-11(2)19(32)26-22(28)34)41-23(12,8-38-17)9-39-42(35,36)37/h6-7,12-14,16-17,20,29H,3-5,8-9H2,1-2H3,(H,24,30)(H,25,31,33)(H,26,32,34)(H2,35,36,37)/t12-,13-,14+,16+,17+,20+,23+/m0/s1","","2021-05-28","2023-03-09","[(1~{R},3~{R},4~{R},7~{S})-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-[2-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate","2022-08-03"],["RWA","(5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione","C16 H18 N4 O2","n3n(c1ccccc1)cc(CC2(NC(=O)C(C2=O)(C)C)C)n3;C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)C(C)(C)C1=O;CC1(C(=O)C(NC1=O)(C)Cc2cn(nn2)c3ccccc3)C","InChI=1S/C16H18N4O2/c1-15(2)13(21)16(3,17-14(15)22)9-11-10-20(19-18-11)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,22)/t16-/m1/s1","","2020-02-27","2020-07-03","(5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione","2020-07-08"],["RWB","dodecaethylene glycol monomethyl ether","C25 H52 O13","COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3","PEG-MME fragment n=12;polyethylene glycol monomethyl ether fragment n=12;PEG 550 MME","2020-10-27","2021-11-12","2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol","2021-11-17"],["05I","4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine","C30 H38 N6 O","CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4C[CH]5CC[CH](C4)N5)c6cccc7cccc(C)c67;Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CC6CCC(C5)N6)OCC7CCCN7C)C3","InChI=1S/C30H38N6O/c1-20-6-3-7-21-8-4-10-27(28(20)21)35-15-13-25-26(18-35)32-30(37-19-24-9-5-14-34(24)2)33-29(25)36-16-22-11-12-23(17-36)31-22/h3-4,6-8,10,22-24,31H,5,9,11-19H2,1-2H3/t22-,23+,24-/m0/s1","","2021-06-01","2021-12-24","4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine","2021-12-29"],["05J","1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","C29 H34 N8 O2","CN1CCN(CC1)c1ccc(cc1)Nc1ncc2C(=O)N(CC=C)N(c2n1)c1ccc2CCC(O)(CC)c2n1;CC[C]1(O)CCc2ccc(nc12)N3N(CC=C)C(=O)c4cnc(Nc5ccc(cc5)N6CCN(C)CC6)nc34;CCC1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O","InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1","","2021-06-02","2022-04-07","1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","2021-09-01"],["RWC","(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid","C21 H21 N3 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1CC(Cc2ccccc21)C(=O)O;OC(=O)[CH]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)c4ccccc4C1;c1ccc2c(c1)CC(CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C21H21N3O4/c25-19(13-5-7-16(8-6-13)22-21(28)23-17-9-10-17)24-12-15(20(26)27)11-14-3-1-2-4-18(14)24/h1-8,15,17H,9-12H2,(H,26,27)(H2,22,23,28)/t15-/m0/s1","","2022-06-23","2022-07-08","(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid","2022-07-13"],["RWD","(4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one","C14 H16 N4 O2","n1(cc(nn1)CC2(C)NC(CC2O)=O)c3ccccc3;C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[CH]1O;CC1(C(CC(=O)N1)O)Cc2cn(nn2)c3ccccc3","InChI=1S/C14H16N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,15,20)/t12-,14+/m0/s1","","2020-02-27","2020-07-03","(4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one","2020-07-08"],["05K","[(2S,3R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[2-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]oxolan-2-yl]methyl dihydrogen phosphate","C22 H30 N5 O12 P","CC1=CN([CH]2C[CH](O)[CH](CNC(=O)C[CH]3C[CH](O[CH]3CO[P](O)(O)=O)N4C=C(C)C(=O)NC4=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)CC(=O)NCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O","InChI=1S/C22H30N5O12P/c1-10-7-26(21(32)24-19(10)30)17-4-12(15(39-17)9-37-40(34,35)36)3-16(29)23-6-14-13(28)5-18(38-14)27-8-11(2)20(31)25-22(27)33/h7-8,12-15,17-18,28H,3-6,9H2,1-2H3,(H,23,29)(H,24,30,32)(H,25,31,33)(H2,34,35,36)/t12-,13-,14+,15+,17+,18+/m0/s1","","2021-05-28","2023-03-09","[(2~{S},3~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[2-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]oxolan-2-yl]methyl dihydrogen phosphate","2022-08-03"],["RWE","(2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C23 H28 N6 O","CC[CH](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc4ccccc4c3","InChI=1S/C23H28N6O/c1-4-19(13-30)26-23-27-21(20-22(28-23)29(14-25-20)15(2)3)24-12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,14-15,19,30H,4,12-13H2,1-3H3,(H2,24,26,27,28)/t19-/m1/s1","","2022-12-07","2023-09-08","(2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["05L","heptyl 1-seleno-beta-D-glucopyranoside","C13 H26 O5 Se","[Se](CCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCC[Se][CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCC[Se]C1C(C(C(C(O1)CO)O)O)O","InChI=1S/C13H26O5Se/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1","heptyl 1-seleno-beta-D-glucoside; heptyl 1-seleno-D-glucoside; heptyl 1-seleno-glucoside","2011-11-29","2020-07-17","heptyl 1-seleno-beta-D-glucopyranoside",""],["05M","2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione","C37 H45 O4 P","COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccc4;CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4","InChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26,42H,4-9,19-20,27-28H2,1-3H3","","2021-06-02","2021-12-31","2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione","2022-01-05"],["RWF","R-WARFARIN","C19 H16 O4","O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3;CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O;CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O","InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1","","2003-07-29","2011-11-03","4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-chromen-2-one",""],["RWG","(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione","C14 H13 F N4 O2","n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)CC3=O;C[C]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O;CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F","InChI=1S/C14H13FN4O2/c1-14(12(20)6-13(21)16-14)7-10-8-19(18-17-10)11-4-2-9(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,21)/t14-/m1/s1","","2020-02-27","2020-07-03","(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione","2020-07-08"],["05N","(3R,4R)-4-hydroxy-3-methyl-L-proline","C6 H11 N O3","O=C(O)C1NCC(O)C1C;C[CH]1[CH](O)CN[CH]1C(O)=O;CC1C(CNC1C(=O)O)O","InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1","","2012-10-25","2024-09-27","(3R,4R)-4-hydroxy-3-methyl-L-proline","2012-12-21"],["RWH","3-(3-methyl-3-phenethylureido)benzenesulfonamide","C16 H19 N3 O3 S","CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O;CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N","InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22)","1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea","2020-10-27","2021-11-19","1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea","2021-11-24"],["05O","(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal","C10 H10 F3 N O3","FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O;N[CH](Cc1ccc(OC(F)(F)F)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OC(F)(F)F","InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1","","2021-06-02","2024-09-27","O-(trifluoromethyl)-L-tyrosine","2021-09-29"],["RWI","(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid","C11 H18 N2 O11","O=C(NC1C(O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO;OC[CH]1O[CH](O[CH](CC(O)=O)C(O)=O)[CH](NC(=O)NO)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC(CC(=O)O)C(=O)O)NC(=O)NO)O)O)O","InChI=1S/C11H18N2O11/c14-2-4-7(17)8(18)6(12-11(21)13-22)10(24-4)23-3(9(19)20)1-5(15)16/h3-4,6-8,10,14,17-18,22H,1-2H2,(H,15,16)(H,19,20)(H2,12,13,21)/t3-,4+,6+,7+,8+,10-/m0/s1","(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid;\n(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-D-glucosyl}oxy)butanedioic acid;\n(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-glucosyl}oxy)butanedioic acid","2019-10-09","2020-07-17","(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid","2020-01-08"],["05Q","6-benzyloxo-2-chloropurine","C12 H9 Cl N4 O","Clc1nc(OCc2ccccc2)c3[nH]cnc3n1;c1ccc(cc1)COc2c3c(nc[nH]3)nc(n2)Cl","InChI=1S/C12H9ClN4O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,16,17)","2-chloranyl-6-phenylmethoxy-7H-purine","2021-05-28","2022-04-29","2-chloranyl-6-phenylmethoxy-7~{H}-purine","2022-05-04"],["05R","2-(3,4-dichlorophenyl)ethanoic acid","C8 H6 Cl2 O2","Clc1ccc(cc1Cl)CC(=O)O;OC(=O)Cc1ccc(Cl)c(Cl)c1;c1cc(c(cc1CC(=O)O)Cl)Cl","InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)","","2012-10-26","2014-09-05","(3,4-dichlorophenyl)acetic acid","2013-03-27"],["RWJ","CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE","C19 H25 N5 O2 S","O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3;NC(=N)NCCC[CH](NC(=O)C1CCCC1)C(=O)c2sc3ccccc3n2;c1ccc2c(c1)nc(s2)C(=O)C(CCCNC(=N)N)NC(=O)C3CCCC3","InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1","RWJ-51084","1999-07-08","2024-09-27","N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide",""],["05S","(6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide","C24 H32 N4 O2","O=C(N)c1ccc4cc1NC(C)CNCCCc3c(c2C(=O)CC(Cc2n34)(C)C)C;C[CH]1CNCCCc2n(c3CC(C)(C)CC(=O)c3c2C)c4ccc(C(N)=O)c(N1)c4;Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC(CNCCC2)C)C(=O)N","InChI=1S/C24H32N4O2/c1-14-13-26-9-5-6-19-15(2)22-20(11-24(3,4)12-21(22)29)28(19)16-7-8-17(23(25)30)18(10-16)27-14/h7-8,10,14,26-27H,5-6,9,11-13H2,1-4H3,(H2,25,30)/t14-/m0/s1","","2011-02-24","2011-06-04","(6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide",""],["RWL","9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine","C9 H8 Cl N7 S","Clc1nc(Cn2cnc3c(N)nc(N)nc23)cs1;Nc1nc(N)c2ncn(Cc3csc(Cl)n3)c2n1;c1c(nc(s1)Cl)Cn2cnc3c2nc(nc3N)N","InChI=1S/C9H8ClN7S/c10-8-14-4(2-18-8)1-17-3-13-5-6(11)15-9(12)16-7(5)17/h2-3H,1H2,(H4,11,12,15,16)","","2022-06-23","2022-07-08","9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine","2022-07-13"],["RWM","(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione","C15 H14 N2 O3","n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3;C[C]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O;CC1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3","InChI=1S/C15H14N2O3/c1-15(13(18)8-14(19)16-15)9-11-7-12(17-20-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,19)/t15-/m0/s1","","2020-02-27","2020-07-03","(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione","2020-07-08"],["05T","1-[4-(aminomethyl)cyclohexyl]guanidine","C8 H18 N4","[N@H]=C(N)NC1CCC(CC1)CN;NC[CH]1CC[CH](CC1)NC(N)=N;C1CC(CCC1CN)NC(=N)N","InChI=1S/C8H18N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h6-7H,1-5,9H2,(H4,10,11,12)/t6-,7-","","2012-10-26","2014-09-05","1-[trans-4-(aminomethyl)cyclohexyl]guanidine","2013-03-27"],["05U","(3S,4S)-4-azanyl-2,6-dimethyl-heptan-3-ol","C9 H21 N O","CC(C)C[CH](N)[CH](O)C(C)C;CC(C)CC(C(C(C)C)O)N","InChI=1S/C9H21NO/c1-6(2)5-8(10)9(11)7(3)4/h6-9,11H,5,10H2,1-4H3/t8-,9-/m0/s1","","2012-11-01","2014-01-24","(3S,4S)-4-azanyl-2,6-dimethyl-heptan-3-ol","2014-01-29"],["RWN","(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C22 H32 N6 O","CC[CH](CO)Nc1nc(NCCCc2cccc(C)c2)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCc3cccc(c3)C","InChI=1S/C22H32N6O/c1-5-18(13-29)25-22-26-20(19-21(27-22)28(14-24-19)15(2)3)23-11-7-10-17-9-6-8-16(4)12-17/h6,8-9,12,14-15,18,29H,5,7,10-11,13H2,1-4H3,(H2,23,25,26,27)/t18-/m1/s1","","2022-12-07","2023-09-08","(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-13"],["05W","(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol","C9 H21 N O2","CC(C)C[CH](N)[CH](O)[CH](C)CO;CC(C)CC(C(C(C)CO)O)N","InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9+/m1/s1","","2012-12-10","2024-09-27","(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol","2014-02-12"],["RWO","(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C19 H20 Cl N3 O3 S","Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21;C[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4CCCCc34;CC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3CCCC4","InChI=1S/C19H20ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h6-10,22H,2-5,11H2,1H3,(H,23,24)/t19-/m0/s1","","2023-08-22","2023-11-03","(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["05X","2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide","C19 H18 F3 N3 O2","CN1CCC(CC1)C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2;CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F","InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)","","2021-06-04","2021-07-30","2,4,6-tris(fluoranyl)-~{N}-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide","2021-08-04"],["RWP","methyl 4-[(trifluoroacetyl)amino]benzoate","C10 H8 F3 N O3","c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC;COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1;COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F","InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)","","2020-02-28","2020-05-08","methyl 4-[(trifluoroacetyl)amino]benzoate","2020-05-13"],["RWQ","[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol","C16 H17 F N4 O","Fc1ccc2c3c(ncnc3[NH]c2c1)N1CCCC(CO)C1;OC[CH]1CCCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23;c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)CO","InChI=1S/C16H17FN4O/c17-11-3-4-12-13(6-11)20-15-14(12)16(19-9-18-15)21-5-1-2-10(7-21)8-22/h3-4,6,9-10,22H,1-2,5,7-8H2,(H,18,19,20)/t10-/m1/s1","","2022-06-23","2022-07-08","[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol","2022-07-13"],["05Y","~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide","C17 H18 N4 O","CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3;CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3","InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)","","2021-06-03","2024-09-27","~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide","2022-04-06"],["RWR","(2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","C25 H30 O4","Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O;Cc1ccc(c(c1C(C(=O)O)OC(C)(C)C)c2ccc3c(c2)CCCO3)C4CC4","InChI=1S/C25H30O4/c1-15-7-11-19(16-8-9-16)22(21(15)23(24(26)27)29-25(2,3)4)18-10-12-20-17(14-18)6-5-13-28-20/h7,10-12,14,16,23H,5-6,8-9,13H2,1-4H3,(H,26,27)/t23-/m0/s1","","2022-12-07","2023-06-02","(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid","2023-06-07"],["05Z","6-benzylthio-2-chloropurine","C12 H9 Cl N4 S","Clc1nc(SCc2ccccc2)c3[nH]cnc3n1;c1ccc(cc1)CSc2c3c(nc[nH]3)nc(n2)Cl","InChI=1S/C12H9ClN4S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,16,17)","2-chloranyl-6-phenylmethylsulfanyl-7H-purine","2021-05-28","2022-04-29","2-chloranyl-6-(phenylmethylsulfanyl)-7~{H}-purine","2022-05-04"],["RWS","1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine","C8 H13 N3 S","n1nc(C)sc1N2CCCCC2;Cc1sc(nn1)N2CCCCC2;Cc1nnc(s1)N2CCCCC2","InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3","","2020-02-28","2020-10-23","1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine","2020-10-28"],["060","S-methyl-D-cysteine","C4 H9 N O2 S","O=C(O)C(N)CSC;CSC[CH](N)C(O)=O;CSCC(C(=O)O)N","InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1","","2013-01-25","2024-09-27","S-methyl-D-cysteine","2013-03-20"],["061","2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE","C26 H24 N6 O2","O=C1c5cc(O)ccc5N=C(N1Cc4ccc(c2ccccc2c3nnnn3)cc4)CCCC;CCCCC1=Nc2ccc(O)cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5;CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O","InChI=1S/C26H24N6O2/c1-2-3-8-24-27-23-14-13-19(33)15-22(23)26(34)32(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-28-30-31-29-25/h4-7,9-15,33H,2-3,8,16H2,1H3,(H,28,29,30,31)","L-159,061","1999-07-08","2021-03-13","2-butyl-6-hydroxy-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}quinazolin-4(3H)-one",""],["RWT","(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","C19 H20 Cl N3 O3 S","Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21;C[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4CCCCc34;CC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3CCCC4","InChI=1S/C19H20ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h6-10,22H,2-5,11H2,1H3,(H,23,24)/t19-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide","2023-11-08"],["RWV","1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine","C11 H19 N3 S","N1(CCC(CC1)CN)Cc2csc(n2)C;Cc1scc(CN2CCC(CN)CC2)n1;Cc1nc(cs1)CN2CCC(CC2)CN","InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3","","2020-02-28","2020-10-23","1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine","2020-10-28"],["062","3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE","C26 H25 Cl N4 O4","O=C(NCc1cc(Cl)ccc1CN)C5N(C(=O)C4(O)c2ccccc2c3c[n+]([O-])ccc34)CCC5;NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[C]3(O)c4ccccc4c5c[n+]([O-])ccc35;c1ccc2c(c1)-c3c[n+](ccc3C2(C(=O)N4CCCC4C(=O)NCc5cc(ccc5CN)Cl)O)[O-]","InChI=1S/C26H25ClN4O4/c27-18-8-7-16(13-28)17(12-18)14-29-24(32)23-6-3-10-31(23)25(33)26(34)21-5-2-1-4-19(21)20-15-30(35)11-9-22(20)26/h1-2,4-5,7-9,11-12,15,23,34H,3,6,10,13-14,28H2,(H,29,32)/t23-,26+/m0/s1","","2005-05-26","2011-06-04","N-[2-(aminomethyl)-5-chlorobenzyl]-1-{[(5R)-5-hydroxy-2-oxido-5H-indeno[1,2-c]pyridin-5-yl]carbonyl}-L-prolinamide",""],["RWX","2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid","C19 H21 Br Cl N7 O4 S","Brc1c(Cl)c(nc1C(=O)NC4C(OC)CN(c2nc(c(s2)C(=O)O)c3ncnn3C)CC4)C;CO[CH]1CN(CC[CH]1NC(=O)c2[nH]c(C)c(Cl)c2Br)c3sc(C(O)=O)c(n3)c4ncnn4C;Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl","InChI=1S/C19H21BrClN7O4S/c1-8-12(21)11(20)13(24-8)17(29)25-9-4-5-28(6-10(9)32-3)19-26-14(15(33-19)18(30)31)16-22-7-23-27(16)2/h7,9-10,24H,4-6H2,1-3H3,(H,25,29)(H,30,31)/t9-,10+/m1/s1","","2012-09-13","2014-09-05","2-[(3S,4R)-4-{[(3-bromo-4-chloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylic acid","2013-10-30"],["063","4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid","C53 H69 F N8 O13 S","N1CCc5c(C1(CC(Nc2nccs2)=O)C)cc(Oc4ccc(c3ccc(C(=O)O)cc3)c(F)c4)c(OCCOCCNC(=O)C(NC(OC(C)(C)C)=O)CCCN/C(=N/C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)c5;CC(C)(C)OC(=O)N[CH](CCCNC(NC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)C(=O)NCCOCCOc1cc2CCN[C](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(c(F)c4)c5ccc(cc5)C(O)=O;CC1(c2cc(c(cc2CCN1)OCCOCCNC(=O)C(CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5","InChI=1S/C53H69FN8O13S/c1-50(2,3)73-47(67)59-39(12-11-20-56-45(61-48(68)74-51(4,5)6)62-49(69)75-52(7,8)9)43(64)55-22-24-70-25-26-71-40-28-34-19-21-58-53(10,31-42(63)60-46-57-23-27-76-46)37(34)30-41(40)72-35-17-18-36(38(54)29-35)32-13-15-33(16-14-32)44(65)66/h13-18,23,27-30,39,58H,11-12,19-22,24-26,31H2,1-10H3,(H,55,64)(H,59,67)(H,65,66)(H,57,60,63)(H2,56,61,62,68,69)/t39-,53+/m0/s1","","2019-08-20","2019-11-01","4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid","2019-11-06"],["064","3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid","C28 H22 Cl3 N O4","O=C(O)c1cccc(c1)C=Cc4ccc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)cc4Cl;CC(C)c1onc(c1COc2ccc(C=Cc3cccc(c3)C(O)=O)c(Cl)c2)c4c(Cl)cccc4Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)C=Cc4cccc(c4)C(=O)O","InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+","","2008-06-05","2011-06-04","3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid",""],["RWY","2-(4-phenoxyphenoxy)ethyl thiocyanate","C15 H13 N O2 S","N#CSCCOc2ccc(Oc1ccccc1)cc2;N#CSCCOc1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)OCCSC#N","InChI=1S/C15H13NO2S/c16-12-19-11-10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-11H2","","2011-05-11","2012-04-20","2-(4-phenoxyphenoxy)ethyl thiocyanate",""],["065","(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE","C28 H36 N2 O9 S","O=S(=O)(c2ccc1OCOc1c2)N(CC(C)C)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5OCOc5c4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5","InChI=1S/C28H36N2O9S/c1-18(2)14-30(40(33,34)20-8-9-24-25(13-20)38-17-37-24)15-23(31)22(12-19-6-4-3-5-7-19)29-28(32)39-26-16-36-27-21(26)10-11-35-27/h3-9,13,18,21-23,26-27,31H,10-12,14-17H2,1-2H3,(H,29,32)/t21-,22-,23+,26-,27+/m0/s1","RL-98065; [(1R,5S,6R)-2,8-DIOXABICYCLO[3.3.0]OCT-6-YL]N-[(2S,3R)-4-[(3,4-METHYLENEDIOXYPHENYL)SULFONYL-(2-METHYLPROPYL)AMINO]-3-HYDROXY-1-PHENYL-BUTAN-2-YL] CARBAMATE","2007-07-03","2020-05-26","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}carbamate",""],["RWZ","N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine","C22 H38 N2","C(=CCCC(=C/CNCCNC3C1CC2CC3CC(C1)C2)C)(C)C;CC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3;CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C","InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7-/t18-,19+,20-,21+,22-","","2011-05-11","2012-04-20","N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine",""],["RX0","[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone","C29 H40 N2 O4","O=C(N3CCCC(C(O)(c2ccccc2c1ccccc1)CCCCOC)C3)C4CC(N)C(O)C4;COCCCC[C](O)([CH]1CCCN(C1)C(=O)[CH]2C[CH](N)[CH](O)C2)c3ccccc3c4ccccc4;COCCCCC(c1ccccc1c2ccccc2)(C3CCCN(C3)C(=O)C4CC(C(C4)O)N)O","InChI=1S/C29H40N2O4/c1-35-17-8-7-15-29(34,25-14-6-5-13-24(25)21-10-3-2-4-11-21)23-12-9-16-31(20-23)28(33)22-18-26(30)27(32)19-22/h2-6,10-11,13-14,22-23,26-27,32,34H,7-9,12,15-20,30H2,1H3/t22-,23+,26+,27-,29-/m0/s1","","2011-02-14","2011-07-29","[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone",""],["066","6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide","C27 H26 N4 O5 S","O=C(N(C)C)c1cc(ccc1)S(=O)(=O)c2cc(c3ncc(c(c3c2)Nc4cccc(OC)c4)C(=O)N)C;COc1cccc(Nc2c(cnc3c(C)cc(cc23)[S](=O)(=O)c4cccc(c4)C(=O)N(C)C)C(N)=O)c1;Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C","InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)","","2009-04-03","2011-06-04","6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide",""],["067","p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide","C18 H8 N4 O2 Ru S","O=S9(=O)N;[Ru]|1|2|3|4|5|6|7|8(|[CH]9[C]|1=[C]|2[C]|3=[C]|49)|[C]%10=[C]|5[C]|6([C]|7=[C]|8%10)c%11cn(nn%11)c%12ccc(cc%12)[S](N)(=O)=O;c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N","InChI=1S/C13H7N4O2S.C5H.Ru/c14-20(18,19)12-7-5-11(6-8-12)17-9-13(15-16-17)10-3-1-2-4-10;1-2-4-5-3-1;/h5-9H,(H2,14,18,19);1H;","","2010-11-05","2011-10-07","[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]cyclopentadienyl}ruthenium",""],["RX3","N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT\nOPHAN","C33 H36 N3 O7 P","O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4;OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH]3CCC[CH]3[P](O)(=O)[CH](Cc4ccccc4)NC(=O)OCc5ccccc5;c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(C3CCCC3C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O)O","InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1","RXPA380","2007-01-04","2020-06-17","N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan",""],["RX4","N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-L-alpha-asparagine","C21 H31 N4 O8 P","O=C(N)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)C(NC(=O)C)CC(=O)O)Cc1ccccc1)C;C[CH](C[P](O)(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(O)=O)NC(C)=O)C(=O)N[CH](C)C(N)=O;CC(CP(=O)(C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C)O)C(=O)NC(C)C(=O)N","InChI=1S/C21H31N4O8P/c1-12(20(30)23-13(2)19(22)29)11-34(32,33)17(9-15-7-5-4-6-8-15)25-21(31)16(10-18(27)28)24-14(3)26/h4-8,12-13,16-17H,9-11H2,1-3H3,(H2,22,29)(H,23,30)(H,24,26)(H,25,31)(H,27,28)(H,32,33)/t12-,13+,16+,17-/m1/s1","Ac-Asp-(L)Phe(PO2CH2)(L)Ala-Ala-NH2; RXP407","2010-03-15","2020-01-26","N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-L-alpha-asparagine",""],["068","(3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID","C19 H20 O4","O=C(c2ccc(c1ccc(cc1)CCC(O)CC(=O)O)cc2)C;CC(=O)c1ccc(cc1)c2ccc(CC[CH](O)CC(O)=O)cc2;CC(=O)c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O","InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)/t18-/m0/s1","","2009-07-22","2011-06-04","(3S)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid",""],["RX5","methyl\n(2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]\nmethoxy}ethyl)carbamate","C26 H41 Cl N4 O5","Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3;CN[CH](CNC(=O)N1CCC[CH](C1)[CH](OCCNC(=O)OC)c2cccc(Cl)c2)C[CH]3CCCOC3;CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC","InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1","VTP-27999","2011-02-14","2020-06-17","methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate",""],["069","N,3-DIHYDROXYBENZAMIDE","C7 H7 N O3","O=C(c1cc(O)ccc1)NO;ONC(=O)c1cccc(O)c1;c1cc(cc(c1)O)C(=O)NO","InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)","","2009-02-02","2011-06-04","N,3-dihydroxybenzamide",""],["RX6","methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate","C26 H41 Cl N4 O5","Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NC(CC2CCCOC2)CNC)C3;CNC[CH](C[CH]1CCCOC1)NC(=O)N2CCC[CH](C2)[CH](OCCNC(=O)OC)c3cccc(Cl)c3;CNCC(CC1CCCOC1)NC(=O)N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC","InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1","","2011-02-14","2011-11-25","methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate",""],["06A"," 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one","C19 H25 F N6 O2","C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(CC(F)C5)C4;CC(C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3","InChI=1S/C19H25FN6O2/c1-11(17(28)25-9-19(10-25)6-12(20)7-19)22-18-23-15-14(16(27)24-18)8-21-26(15)13-4-2-3-5-13/h8,11-13H,2-7,9-10H2,1H3,(H2,22,23,24,27)/t11-/m1/s1","","2021-06-07","2022-04-08","1-cyclopentyl-6-[[(2~{R})-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one","2022-04-13"],["RX7","2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol","C10 H17 N O S","c1(c(C)ccs1)CNC(C)(C)CO;Cc1ccsc1CNC(C)(C)CO;Cc1ccsc1CNC(C)(C)CO","InChI=1S/C10H17NOS/c1-8-4-5-13-9(8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3","","2020-02-28","2020-10-23","2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol","2020-10-28"],["06B","3-bromo-2,6-dimethoxybenzoic acid","C9 H9 Br O4","Brc1ccc(OC)c(c1OC)C(=O)O;COc1ccc(Br)c(OC)c1C(O)=O;COc1ccc(c(c1C(=O)O)OC)Br","InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)","","2013-04-29","2013-09-13","3-bromo-2,6-dimethoxybenzoic acid","2013-09-18"],["06C","Iodomethane","C H3 I","IC;CI;CI","InChI=1S/CH3I/c1-2/h1H3","Methyl iodine","2011-03-03","2021-03-01","iodomethane",""],["RX8","1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol","C17 H22 N4 O2","n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N;CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O;CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N","InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)","R848; Resiquimod","2013-01-22","2021-03-13","1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol","2013-04-03"],["RX9","Dehydroisoleucine","C6 H11 N O2","CCC(C)=C(N)C(O)=O;CCC(=C(C(=O)O)N)C","InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+","(E)-2-azanyl-3-methyl-pent-2-enoic acid","2022-12-09","2024-09-27","(~{E})-2-azanyl-3-methyl-pent-2-enoic acid","2023-01-18"],["06D","1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one","C14 H19 N O2","CCC(=O)N1CCC[CH]1c2ccc(OC)cc2;CCC(=O)N1CCCC1c2ccc(cc2)OC","InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1","","2021-06-03","2024-09-27","1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one","2022-04-06"],["RXA","isoquinoline-1,3,4(2H)-trione","C9 H5 N O3","O=C2c1c(cccc1)C(=O)C(=O)N2;O=C1NC(=O)c2ccccc2C1=O;c1ccc2c(c1)C(=O)C(=O)NC2=O","InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)","","2008-06-13","2011-06-04","isoquinoline-1,3,4(2H)-trione",""],["06E","6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid","C16 H17 Br N4 O3 S","OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1;c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br","InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24)","","2021-05-28","2024-09-27","6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid","2021-08-04"],["RXB","(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate","C19 H14 N2 O6","O=C(OC(c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O)C;CC(=O)O[CH](C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c3ccccc3;CC(=O)OC(c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O","InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)/t16-/m0/s1","","2008-06-13","2011-06-04","(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",""],["06F","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea","C32 H35 N5 O2","O=C5c1c(cc(cc1)Nc2cccc(c2)NC(=O)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C)CCCC5;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3cccc(Nc4ccc5C(=O)CCCCc5c4)c3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O","InChI=1S/C32H35N5O2/c1-21-12-15-26(16-13-21)37-30(20-29(36-37)32(2,3)4)35-31(39)34-24-10-7-9-23(19-24)33-25-14-17-27-22(18-25)8-5-6-11-28(27)38/h7,9-10,12-20,33H,5-6,8,11H2,1-4H3,(H2,34,35,39)","","2011-12-14","2012-12-14","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea","2012-12-14"],["06G","D-myo-inositol 1,4,6-trisphosphate","C6 H15 O15 P3","O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O","InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4+,5+,6+/m0/s1","[(1R,2R,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2023-07-10","2024-02-23","[(1~{R},2~{R},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate","2024-02-28"],["RXC","(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate","C19 H13 Cl N2 O6","Clc1cccc(c1)C(OC(=O)C)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O;CC(=O)O[CH](C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c3cccc(Cl)c3;CC(=O)OC(c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O","InChI=1S/C19H13ClN2O6/c1-9(23)28-16(10-4-2-5-11(20)8-10)19(27)21-13-7-3-6-12-14(13)15(24)18(26)22-17(12)25/h2-8,16H,1H3,(H,21,27)(H,22,25,26)/t16-/m0/s1","","2008-06-12","2011-06-04","(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",""],["RXD","N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide","C21 H18 F N3 O6","FCCOc1cccc(c1)NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2;FCCOc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1;c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O","InChI=1S/C21H18FN3O6/c22-8-9-31-14-3-1-2-12(10-14)23-17(26)6-7-18(27)24-13-4-5-15-16(11-13)19(28)21(30)25-20(15)29/h1-5,10-11H,6-9H2,(H,23,26)(H,24,27)(H,25,29,30)","","2008-06-13","2011-06-04","N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide",""],["06H","(6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide","C25 H32 N4 O3","C[CH]1Nc2cc(ccc2C(N)=O)n3c(CCCN(C)C1=O)c(C)c4C(=O)CC(C)(C)Cc34;Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC(C(=O)N(CCC2)C)C)C(=O)N","InChI=1S/C25H32N4O3/c1-14-19-7-6-10-28(5)24(32)15(2)27-18-11-16(8-9-17(18)23(26)31)29(19)20-12-25(3,4)13-21(30)22(14)20/h8-9,11,15,27H,6-7,10,12-13H2,1-5H3,(H2,26,31)/t15-/m0/s1","","2011-04-01","2011-06-04","",""],["06I","5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","C25 H18 Cl N5 O4 S","O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(cc(Cl)c1)OCc1ncsc1C;Cc1scnc1COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O","InChI=1S/C25H18ClN5O4S/c1-14-22(29-13-36-14)12-35-19-6-15(5-17(26)8-19)20-7-16(21-10-28-25(34)30-23(21)32)11-31(24(20)33)18-3-2-4-27-9-18/h2-11,13H,12H2,1H3,(H2,28,30,32,34)","","2021-06-03","2021-07-16","5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione","2021-07-21"],["RXE","~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide","C23 H22 Br4 Cl2 N4 O2","Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl;c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl","InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35)","KN2","2020-10-29","2021-07-30","~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide","2021-08-04"],["RXF","methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate","C15 H18 N6 O6 S","CCOc1nc(NC)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)n1;CCOc1nc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)NC","InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)","Ethametsulfuron methyl","2023-04-03","2023-07-28","methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate","2023-08-02"],["06J","(3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide","C26 H34 N4 O2","Cc1c2CCCN3CCC[CH]3CNc4cc(ccc4C(N)=O)n2c5CC(C)(C)CC(=O)c15;Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NCC5CCCN5CCC2)C(=O)N","InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1","","2011-04-01","2011-06-04","",""],["RXG","2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one","C12 H10 F N O2","C(Oc1ccc(cc1)F)C(=O)n2cccc2;Fc1ccc(OCC(=O)n2cccc2)cc1;c1ccn(c1)C(=O)COc2ccc(cc2)F","InChI=1S/C12H10FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h1-8H,9H2","","2020-02-28","2020-10-23","2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one","2020-10-28"],["06K","2,6-bis(chloranyl)-7H-purine","C5 H2 Cl2 N4","Clc1nc(Cl)c2[nH]cnc2n1;c1[nH]c2c(n1)nc(nc2Cl)Cl","InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)","2,6-dichloropurine","2021-05-28","2022-04-29","2,6-bis(chloranyl)-7~{H}-purine","2022-05-04"],["06L","Betulinic acid","C30 H48 O3","CC(=C)[CH]1CC[C]2(CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C)[CH]12)C(O)=O;CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O","InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1","","2022-09-28","2023-06-02","(1~{R},3~{a}~{S},5~{a}~{R},5~{b}~{R},7~{a}~{R},9~{S},11~{a}~{R},11~{b}~{R},13~{a}~{R},13~{b}~{R})-5~{a},5~{b},8,8,11~{a}-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7~{a},9,10,11,11~{b},12,13,13~{a},13~{b}-hexadecahydrocyclopenta[a]chrysene-3~{a}-carboxylic acid","2023-06-07"],["RXH","Naproxen Methyl Ester","C15 H16 O3","COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1;CC(c1ccc2cc(ccc2c1)OC)C(=O)OC","InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1","Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate; (S)-Methyl 2-(6-methoxynaphthalen-2-yl)propanoate; (S)-Naproxen Methyl Ester; methyl-naproxen; ","2020-10-29","2021-02-26","methyl (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate","2021-03-03"],["RXI","(6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid","C18 H20 N6 O4","O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1Cc2nnc(C)n2CC1C(=O)O;Cc1nnc2CN([CH](Cn12)C(O)=O)C(=O)c3ccc(NC(=O)NC4CC4)cc3;Cc1nnc2n1CC(N(C2)C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O","InChI=1S/C18H20N6O4/c1-10-21-22-15-9-24(14(17(26)27)8-23(10)15)16(25)11-2-4-12(5-3-11)19-18(28)20-13-6-7-13/h2-5,13-14H,6-9H2,1H3,(H,26,27)(H2,19,20,28)/t14-/m0/s1","","2022-06-23","2022-07-11","(4S,6S)-7-[4-(cyclopropylcarbamamido)benzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid","2022-07-13"],["06M","6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","C26 H25 N7 O2 S","CS(=N)(=O)C1(CC1)c1cc(nc(n1)c1ccnc2[NH]ccc21)C1=CN(CCC=C)C(=O)c2[NH]ccc12;C[S](=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4[nH]ccc34)C5=CN(CCC=C)C(=O)c6[nH]ccc56;CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C","InChI=1S/C26H25N7O2S/c1-3-4-13-33-15-19(16-5-10-28-22(16)25(33)34)20-14-21(26(8-9-26)36(2,27)35)32-24(31-20)18-7-12-30-23-17(18)6-11-29-23/h3,5-7,10-12,14-15,27-28H,1,4,8-9,13H2,2H3,(H,29,30)/t36-/m1/s1","","2021-06-03","2021-06-04","6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","2021-06-09"],["RXJ","4-(4-methylpiperazin-1-yl)benzonitrile","C12 H15 N3","N2(c1ccc(cc1)C#N)CCN(CC2)C;CN1CCN(CC1)c2ccc(cc2)C#N;CN1CCN(CC1)c2ccc(cc2)C#N","InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3","","2020-02-28","2020-10-23","4-(4-methylpiperazin-1-yl)benzonitrile","2020-10-28"],["06N","4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol","C13 H14 N4 O S","CCCNc1sc2ncc(n2n1)c3ccc(O)cc3;CCCNc1nn2c(cnc2s1)c3ccc(cc3)O","InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16)","","2021-05-31","2021-07-16","4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol","2021-07-21"],["06O","[(2~{R})-1-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propan-2-yl] (9~{Z},11~{Z})-octadeca-9,11-dienoate","C59 H109 O14 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CC=CCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1OC(=O)CCCCCCCCCCCCCCC)O)O)O)O)OC(=O)CCCCCCCC=CC=CCCCCCC","InChI=1S/C59H109O14P/c1-4-7-10-13-16-19-22-25-26-29-32-34-37-40-43-46-52(61)71-50(48-69-51(60)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-70-74(67,68)73-59-57(66)55(64)54(63)56(65)58(59)72-53(62)47-44-41-38-35-31-28-24-21-18-15-12-9-6-3/h19,22,25-26,50,54-59,63-66H,4-18,20-21,23-24,27-49H2,1-3H3,(H,67,68)/b22-19-,26-25-/t50-,54+,55+,56-,57-,58-,59+/m1/s1","","2022-01-19","2022-04-22","[(2~{R})-1-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propan-2-yl] (9~{Z},11~{Z})-octadeca-9,11-dienoate","2022-04-27"],["RXK","cyclohexanecarboxylic acid","C7 H12 O2","OC(=O)C1CCCCC1;C1CCC(CC1)C(=O)O","InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)","","2020-10-30","2021-02-26","cyclohexanecarboxylic acid","2021-03-03"],["06P","D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide","C21 H27 N4 O2","O=C(NCc1cc[n+](cc1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3;C[n+]1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)cc1;C[n+]1ccc(cc1)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N","InChI=1S/C21H26N4O2/c1-24-12-9-17(10-13-24)15-23-20(26)19-8-5-11-25(19)21(27)18(22)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,18-19H,5,8,11,14-15,22H2,1H3/p+1/t18-,19+/m1/s1","","2011-03-18","2012-02-24","D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide",""],["RXL","Dehydrovaline","C5 H9 N O2","CC(C)=C(N)C(O)=O;CC(=C(C(=O)O)N)C","InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)","2-azanyl-3-methyl-but-2-enoic acid","2022-12-09","2024-09-27","2-azanyl-3-methyl-but-2-enoic acid","2023-01-18"],["RXM","(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1\n5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2\n5-yl acetate","C43 H51 N3 O11","N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn3c6c4c5O)O)C)C)OC)OC(C)=O)O)O;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)c5n6ccc(C)cc6nc5c4c3C2=O;Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1","Rifaximin","2017-10-26","2020-06-17","(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate","2018-07-18"],["06Q","N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","C34 H35 F N4 O6","O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)C(C(CC2CCCNC2=O)NC(=O)C(Cc3ccc(cc3)F)NC(=O)c4cc5ccccc5o4)O","InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26-,27-,30-/m0/s1","","2022-09-29","2024-09-27","~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","2023-06-07"],["RXN","(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide","C24 H22 Cl N5 O4","CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O;CN1c2ccc(cc2OCC(C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl","InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1","6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide; LIJTF500025","2020-10-31","2020-12-18","6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide","2020-12-23"],["06R","2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","C15 H9 F3 N2 O","FC(F)(F)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F","InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)","","2015-03-27","2016-04-08","2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","2016-04-13"],["06S","O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate","C19 H26 N7 O16 P3 S3","O=P(O)(S)OC1C(O)C(OC1COP(=O)(S)OC3C(OC(N2C(=O)NC(=O)C=C2)C3O)COP(=O)(O)S)n4c5NC(=NC(=O)c5nc4)N;NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](S)(=O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(S)=O)N5C=CC(=O)NC5=O)[CH](O[P](O)(S)=O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(OC4C(OC(C4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N","InChI=1S/C19H26N7O16P3S3/c20-18-23-14-9(15(30)24-18)21-5-26(14)17-10(28)12(41-44(34,35)47)7(40-17)4-38-45(36,48)42-13-6(3-37-43(32,33)46)39-16(11(13)29)25-2-1-8(27)22-19(25)31/h1-2,5-7,10-13,16-17,28-29H,3-4H2,(H,36,48)(H,22,27,31)(H2,32,33,46)(H2,34,35,47)(H3,20,23,24,30)/t6-,7-,10-,11-,12-,13-,16-,17-,45+/m1/s1","","2014-10-17","2015-01-09","O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate (non-preferred name)","2015-01-14"],["RXO","4-arsanyl-2-nitrophenol","C6 H6 As N O3","O=[N+]([O-])c1cc(ccc1O)[AsH2];Oc1ccc([AsH2])cc1[N+]([O-])=O;c1cc(c(cc1[AsH2])[N+](=O)[O-])O","InChI=1S/C6H6AsNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2","","2014-02-04","2014-05-16","4-arsanyl-2-nitrophenol","2014-05-21"],["06T","(5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide","C28 H39 N5 O3","O=C2c1c(c3n(c1CC(C)(C)C2)c4ccc(c(NC(C(C)CN(C(=O)C(N)C)CC3)C)c4)C(=O)N)C;C[CH](N)C(=O)N1CCc2n(c3CC(C)(C)CC(=O)c3c2C)c4ccc(C(N)=O)c(N[CH](C)[CH](C)C1)c4;Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC(C(CN(CC2)C(=O)C(C)N)C)C)C(=O)N","InChI=1S/C28H39N5O3/c1-15-14-32(27(36)17(3)29)10-9-22-16(2)25-23(12-28(5,6)13-24(25)34)33(22)19-7-8-20(26(30)35)21(11-19)31-18(15)4/h7-8,11,15,17-18,31H,9-10,12-14,29H2,1-6H3,(H2,30,35)/t15-,17+,18+/m1/s1","","2011-04-25","2011-07-08","(5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide",""],["RXP","1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID","C39 H43 N4 O6 P","O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)CC(C(=O)NC(C(=O)N)Cc4c3ccccc3nc4)CCCc5ccccc5;NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCc3ccccc3)C[P](O)(=O)[CH](Cc4ccccc4)NC(=O)OCc5ccccc5;c1ccc(cc1)CCCC(CP(=O)(C(Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)N","InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1","","2001-01-15","2011-06-04","Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide",""],["RXQ","N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide","C26 H16 Cl F2 N3 O3 S","Fc1ccc(N[S](=O)(=O)c2ccccc2)c(F)c1C(=O)c3c[nH]c4ncc(cc34)c5ccc(Cl)cc5;c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F","InChI=1S/C26H16ClF2N3O3S/c27-17-8-6-15(7-9-17)16-12-19-20(14-31-26(19)30-13-16)25(33)23-21(28)10-11-22(24(23)29)32-36(34,35)18-4-2-1-3-5-18/h1-14,32H,(H,30,31)","N-[3-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide; LIJTF500127","2020-10-31","2020-11-20","~{N}-[3-[[5-(4-chlorophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide","2020-11-25"],["06U","6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","C22 H23 N5 O","n3c(c(C#CC(c2cc(c1ccncc1)cc(OC)c2)C)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)c3ccncc3;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccncc3","InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m0/s1","","2011-05-03","2012-05-04","6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine",""],["06V","6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","C21 H27 N5 O2","n3c(c(C#CC(c1cc(cc(OC)c1)N2CCOCC2)C)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)N3CCOCC3;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)N3CCOCC3","InChI=1S/C21H27N5O2/c1-4-19-18(20(22)25-21(23)24-19)6-5-14(2)15-11-16(13-17(12-15)27-3)26-7-9-28-10-8-26/h11-14H,4,7-10H2,1-3H3,(H4,22,23,24,25)/t14-/m0/s1","","2011-05-03","2012-05-04","6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine",""],["RXR","[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical","C10 H18 N O S2","ON1C(C(=C(CS)C1(C)C)CS)(C)C;CC1(C)N([O])C(C)(C)C(=C1CS)CS;CC1(C(=C(C(N1[O])(C)C)CS)CS)C","InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3","3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical","2010-01-08","2024-09-27","2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol",""],["RXS","3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile","C12 H11 N3","n2(Cc1cc(ccc1)C#N)c(ncc2)C;Cc1nccn1Cc2cccc(c2)C#N;Cc1nccn1Cc2cccc(c2)C#N","InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3","","2020-02-28","2020-10-23","3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile","2020-10-28"],["06W","6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine","C22 H23 N5 O","n3c(c(C#CC(c2cc(c1ccncc1)cc(OC)c2)C)c(nc3N)N)CC;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)c3ccncc3;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccncc3","InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m1/s1","","2011-07-23","2012-03-02","6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine",""],["RXT","(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","C17 H18 N6","N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4;N#CC[CH](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)c3cnn(c3)C(CC#N)C4CCCC4","InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1","Ruxolitinib","2014-07-31","2021-03-01","(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile","2014-09-17"],["06X","Amlodipine","C20 H25 Cl N2 O5","CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C;CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN","InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m1/s1","O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate","2011-09-15","2020-06-17","O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate","2012-09-07"],["RXU","2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","C24 H27 Cl N4 O2","CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3CCCCc32)C1;CNC(=O)CN1Cc2ccc(Cl)cc2[C]3(CCN(C3=O)c4cncc5CCCCc45)C1;CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4CCCC5)Cl","InChI=1S/C24H27ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h6-7,10-12H,2-5,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1","","2023-08-22","2023-11-03","2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","2023-11-08"],["06Y","2-phenoxyethanoic acid","C8 H8 O3","O=C(O)COc1ccccc1;OC(=O)COc1ccccc1;c1ccc(cc1)OCC(=O)O","InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)","","2011-09-19","2012-08-10","phenoxyacetic acid",""],["RXV","6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE","C25 H27 N5 O2 S","N#Cc2cnc1c(cc(OC)cc1)c2CCN5CCC(NCc3ncc4OCSc4c3)CC5;COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc4cc5SCOc5cn4)c2c1;COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5","InChI=1S/C25H27N5O2S/c1-31-20-2-3-23-22(11-20)21(17(12-26)13-29-23)6-9-30-7-4-18(5-8-30)27-14-19-10-25-24(15-28-19)32-16-33-25/h2-3,10-11,13,15,18,27H,4-9,14,16H2,1H3","","2010-04-25","2011-06-04","6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile",""],["06Z","{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone","C16 H12 F N3 O S","Fc3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3;Nc1nc(Nc2cccc(F)c2)sc1C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N","InChI=1S/C16H12FN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20)","","2011-04-18","2012-10-26","{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone","2012-10-26"],["070","(1R,2S)-2-azanyl-3-phenyl-1-[(2R,3R)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol","C18 H21 N O2","OC(C2OC2Cc1ccccc1)C(N)Cc3ccccc3;N[CH](Cc1ccccc1)[CH](O)[CH]2O[CH]2Cc3ccccc3;c1ccc(cc1)CC2C(O2)C(C(Cc3ccccc3)N)O","InChI=1S/C18H21NO2/c19-15(11-13-7-3-1-4-8-13)17(20)18-16(21-18)12-14-9-5-2-6-10-14/h1-10,15-18,20H,11-12,19H2/t15-,16+,17+,18-/m0/s1","","2011-09-19","2012-08-10","2-amino-4,5-anhydro-1,2,6-trideoxy-1,6-diphenyl-D-galactitol",""],["RXW","(5-methyl-1H-indazol-6-yl)boronic acid","C8 H9 B N2 O2","Cc1cc2cn[nH]c2cc1B(O)O;B(c1cc2c(cc1C)cn[nH]2)(O)O","InChI=1S/C8H9BN2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)","5-Methyl-1H-indazole-6-boronic acid; 5-METHYL-1H-INDAZOL-6-YL-6-BORONIC ACID; Boronic acid, B-(5-methyl-1H-indazol-6-yl)-","2020-10-31","2024-09-27","(5-methyl-1~{H}-indazol-6-yl)boronic acid","2021-08-11"],["071","8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide","C23 H28 N8 O2","O=C(c2nn(c3c1nc(ncc1CCc23)Nc5cc(N4CCN(C)CC4)ccc5OC)C)N;COc1ccc(cc1Nc2ncc3CCc4c(nn(C)c4c3n2)C(N)=O)N5CCN(C)CC5;Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C","InChI=1S/C23H28N8O2/c1-29-8-10-31(11-9-29)15-5-7-18(33-3)17(12-15)26-23-25-13-14-4-6-16-20(22(24)32)28-30(2)21(16)19(14)27-23/h5,7,12-13H,4,6,8-11H2,1-3H3,(H2,24,32)(H,25,26,27)","","2009-10-22","2011-06-04","8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide",""],["RXX","9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine","C14 H13 N7 O S","Nc1nc(N)nc2c1ncn2Cc1csc(n1)c1oc(C)cc1;Cc1oc(cc1)c2scc(Cn3cnc4c(N)nc(N)nc34)n2;Cc1ccc(o1)c2nc(cs2)Cn3cnc4c3nc(nc4N)N","InChI=1S/C14H13N7OS/c1-7-2-3-9(22-7)13-18-8(5-23-13)4-21-6-17-10-11(15)19-14(16)20-12(10)21/h2-3,5-6H,4H2,1H3,(H4,15,16,19,20)","","2022-06-23","2022-07-08","9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine","2022-07-13"],["RXY","(7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate","C39 H74 N O8 P","CCCCCCCCC=C/CCCCCCCC(=O)OC(COP(=O)(O)OCCN)COC(=O)CCCCCCC[C@H]=CCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN","InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1","","2020-02-28","2020-11-20","(7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate","2020-11-25"],["072","(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE","C37 H46 N2 O4 S","O=C(O)c1ccc(cc1)CCCCN2C(=O)C(SC2CCCCCCC)CC(=O)N(Cc3ccccc3)Cc4ccccc4;CCCCCCC[CH]1S[CH](CC(=O)N(Cc2ccccc2)Cc3ccccc3)C(=O)N1CCCCc4ccc(cc4)C(O)=O;CCCCCCCC1N(C(=O)C(S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O","InChI=1S/C37H46N2O4S/c1-2-3-4-5-12-20-35-39(25-14-13-15-29-21-23-32(24-22-29)37(42)43)36(41)33(44-35)26-34(40)38(27-30-16-8-6-9-17-30)28-31-18-10-7-11-19-31/h6-11,16-19,21-24,33,35H,2-5,12-15,20,25-28H2,1H3,(H,42,43)/t33-,35-/m0/s1","THIAZOLIDINONE; GW0072","1999-07-08","2020-06-17","4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid",""],["073","(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID","C32 H28 F2 N3 O5 P","FC(F)(c1ccc(cc1)CC(c2ccc(C(=O)OC)cc2)(n4nnc3ccccc34)CC=Cc5ccccc5)P(=O)(O)O;COC(=O)c1ccc(cc1)[C](CC=Cc2ccccc2)(Cc3ccc(cc3)C(F)(F)[P](O)(O)=O)n4nnc5ccccc45;COC(=O)c1ccc(cc1)C(CC=Cc2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4","InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+/t31-/m1/s1","","2006-01-05","2011-06-04","[(4-{(2R,4E)-2-(1H-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-en-1-yl}phenyl)(difluoro)methyl]phosphonic acid",""],["RXZ","SPHINX31","C27 H24 F3 N5 O2","FC(F)(F)c1ccc(N2CCN(CC2)Cc3ccccn3)c(NC(=O)c4oc(cc4)c5ccncc5)c1;c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F","InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)","","2017-01-26","2017-05-05","5-pyridin-4-yl-~{N}-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide","2017-05-10"],["RY","5'-3,6-dihydrocytidylic acid","C9 H16 N3 O8 P","P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O;NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1;C1C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2018-09-06","2018-10-26","5'-3,6-dihydrocytidylic acid","2018-10-31"],["074","[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE","C18 H31 N3 O6","O=C(N1C(C(=O)O)CCC1)C(NC(=O)CC(O)C(=O)NCCC)C(C)CC;CCCNC(=O)[CH](O)CC(=O)N[CH]([CH](C)CC)C(=O)N1CCC[CH]1C(O)=O;CCCNC(=O)C(CC(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)O)O","InChI=1S/C18H31N3O6/c1-4-8-19-16(24)13(22)10-14(23)20-15(11(3)5-2)17(25)21-9-6-7-12(21)18(26)27/h11-13,15,22H,4-10H2,1-3H3,(H,19,24)(H,20,23)(H,26,27)/t11-,12-,13-,15-/m0/s1","CA-074; [N-(L-3-TRANS-PROPYLCARBAMOYL-OXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE]","1999-07-12","2024-09-27","N-[(3S)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]-L-isoleucyl-L-proline",""],["075","(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl\nsulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C40 H45 N5 O9 S2","O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CS(=O)(=O)C)Cc5ccccc5)CSC6(C)C;CC1(C)SCN([CH]1C(=O)N[CH]2[CH](O)Cc3ccccc23)C(=O)[CH](O)[CH](Cc4ccccc4)NC(=O)[CH](C[S](C)(=O)=O)NC(=O)COc5cccc6cnccc56;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)NC5c6ccccc6CC5O)C","InChI=1S/C40H45N5O9S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-55-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-56(3,52)53)42-33(47)21-54-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1","KNI-10075","2007-04-18","2020-06-17","(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methylsulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["RY0","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide","C22 H20 Cl N3 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC3)Oc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C22H20ClN3O2S/c23-16-5-7-18(8-6-16)28-22(9-2-10-22)21(27)26-17-4-1-3-14(11-17)15-12-19(20(24)25)29-13-15/h1,3-8,11-13H,2,9-10H2,(H3,24,25)(H,26,27)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide","2023-08-02"],["RY2","(3-(1H-tetrazol-5-yl)phenyl)boronic acid","C7 H7 B N4 O2","OB(O)c1cccc(c1)c2n[nH]nn2;B(c1cccc(c1)c2n[nH]nn2)(O)O","InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)","[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid; 3-(1H-Tetrazol-5-yl)phenylboronic Acid; 3-(2H-Tetrazol-5-yl)-phenyl-boronic acid; 3-(TETRAZOL-5-YL)PHENYLBORONIC ACID; Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]-","2020-10-31","2024-09-27","[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid","2021-08-11"],["076","(S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide","C31 H36 N2 O5","O=C(NC(C(=O)NC(C(O)C2OC2Cc1ccccc1)Cc3ccccc3)C(C)C)COc4ccccc4;CC(C)[CH](NC(=O)COc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH]3O[CH]3Cc4ccccc4;CC(C)C(C(=O)NC(Cc1ccccc1)C(C2C(O2)Cc3ccccc3)O)NC(=O)COc4ccccc4","InChI=1S/C31H36N2O5/c1-21(2)28(33-27(34)20-37-24-16-10-5-11-17-24)31(36)32-25(18-22-12-6-3-7-13-22)29(35)30-26(38-30)19-23-14-8-4-9-15-23/h3-17,21,25-26,28-30,35H,18-20H2,1-2H3,(H,32,36)(H,33,34)/t25-,26+,28-,29+,30-/m0/s1","","2011-09-19","2012-08-10","4,5-anhydro-1,2,6-trideoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-galactitol",""],["077","(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid","C17 H18 O3","O=C(O)CC(O)CCc1ccc(cc1)c2ccccc2;O[CH](CCc1ccc(cc1)c2ccccc2)CC(O)=O;c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O","InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)/t16-/m0/s1","","2009-07-22","2011-06-04","(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid",""],["RY3","(2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol","C12 H15 N O7","C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O","InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1","","2023-04-04","2024-03-29","(2~{S},3~{R},4~{R},5~{R},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol","2024-04-03"],["078","(2R,3R,4R,5S)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol","C18 H24 N2 O2","OC(Cc1ccccc1)C(N)C(O)C(N)Cc2ccccc2;N[CH](Cc1ccccc1)[CH](O)[CH](N)[CH](O)Cc2ccccc2;c1ccc(cc1)CC(C(C(C(Cc2ccccc2)O)N)O)N","InChI=1S/C18H24N2O2/c19-15(11-13-7-3-1-4-8-13)18(22)17(20)16(21)12-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12,19-20H2/t15-,16+,17+,18+/m0/s1","","2011-09-19","2012-08-10","2,4-diamino-1,2,4,6-tetradeoxy-1,6-diphenyl-D-glucitol",""],["RY4","N-[4-(aminomethyl)phenyl]methanesulfonamide","C8 H12 N2 O2 S","N(S(C)(=O)=O)c1ccc(cc1)CN;C[S](=O)(=O)Nc1ccc(CN)cc1;CS(=O)(=O)Nc1ccc(cc1)CN","InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3","","2020-02-28","2020-06-26","N-[4-(aminomethyl)phenyl]methanesulfonamide","2020-07-01"],["079","(S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide","C31 H39 N3 O5","O=C(NC(Cc1ccccc1)C(O)C(N)C(O)Cc2ccccc2)C(NC(=O)COc3ccccc3)C(C)C;CC(C)[CH](NC(=O)COc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](N)[CH](O)Cc3ccccc3;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3","InChI=1S/C31H39N3O5/c1-21(2)29(34-27(36)20-39-24-16-10-5-11-17-24)31(38)33-25(18-22-12-6-3-7-13-22)30(37)28(32)26(35)19-23-14-8-4-9-15-23/h3-17,21,25-26,28-30,35,37H,18-20,32H2,1-2H3,(H,33,38)(H,34,36)/t25-,26+,28+,29-,30+/m0/s1","","2011-09-19","2012-08-10","4-amino-1,2,4,6-tetradeoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol",""],["RY5","(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione","C15 H12 Cl N3 O3","Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1;c1cc2c(cc1Cl)CCC23C(=O)N(C(=O)N3)Cc4ccon4","InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1","","2020-11-02","2022-02-18","(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione","2022-02-23"],["RY6","(1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C18 H17 N3 O5","NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)cccc23)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)N)C(=O)O","InChI=1S/C18H17N3O5/c19-18(26)20-10-6-4-9(5-7-10)16(23)21-15-11-2-1-3-14(22)12(11)8-13(15)17(24)25/h1-7,13,15,22H,8H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-,15+/m0/s1","","2022-06-23","2022-07-08","(1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["07B","dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate","C10 H16 O6","O=C(OC)C1CC(O)C(O)CC1C(=O)OC;COC(=O)[CH]1C[CH](O)[CH](O)C[CH]1C(=O)OC;COC(=O)C1CC(C(CC1C(=O)OC)O)O","InChI=1S/C10H16O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1","","2010-09-10","2011-10-14","dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate",""],["07C","2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline","C12 H8 N4 O2 S","CSc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O;CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]","InChI=1S/C12H8N4O2S/c1-19-12-14-6-8-4-7-5-13-3-2-9(7)11(16(17)18)10(8)15-12/h2-6H,1H3","","2021-06-01","2021-07-16","2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline","2021-07-21"],["RY7","4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose","C13 H25 N O8","C1(CC(C(C(C1O)O)O)CO)NC2C(C(C(O)OC2C)O)O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C[CH](CO)[CH](O)[CH](O)[CH]2O;CC1C(C(C(C(O1)O)O)O)NC2CC(C(C(C2O)O)O)CO","InChI=1S/C13H25NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h4-21H,2-3H2,1H3/t4-,5-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1","","2020-03-02","2020-07-17","4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose","2020-07-29"],["RY8","N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide","C19 H19 N3 O3 S2","Cc1scc(n1)c2ccc(cc2)C(=O)Nc3cc(cc(C)c3C)[S](N)(=O)=O;Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N","InChI=1S/C19H19N3O3S2/c1-11-8-16(27(20,24)25)9-17(12(11)2)22-19(23)15-6-4-14(5-7-15)18-10-26-13(3)21-18/h4-10H,1-3H3,(H,22,23)(H2,20,24,25)","","2020-11-02","2020-12-11","~{N}-(2,3-dimethyl-5-sulfamoyl-phenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide","2020-12-16"],["07D","Trans-Geranyl BACTERIOCHLOROPHYLL A","C55 H64 Mg N4 O6","CCc1c(C)c2C=C3N=C(C=C4[N]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[CH](C(=O)OC)C(=O)C7=C6C)C(=C3C(C)=O)C;CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC)C)C","InChI=1S/C55H65N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h17,19,21,25,27-29,51H,13-16,18,20,22-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b31-19+,32-21+,33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-;/t51-;/m1./s1","","2021-06-07","2021-08-13","","2021-08-18"],["RYA","(7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one","C17 H15 F2 N5 O2","C[CH]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C1=O;CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C","InChI=1S/C17H15F2N5O2/c1-4-5-24-9(2)16(26)23(3)13-8-20-17(22-15(13)24)21-10-6-11(18)14(25)12(19)7-10/h1,6-9,25H,5H2,2-3H3,(H,20,21,22)/t9-/m1/s1","","2020-03-02","2020-03-06","(7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one","2020-03-11"],["07E","(3S)-3-hydroxybutyl beta-D-xylopyranoside","C9 H18 O6","O(CCC(O)C)C1OCC(O)C(O)C1O;C[CH](O)CCO[CH]1OC[CH](O)[CH](O)[CH]1O;CC(CCOC1C(C(C(CO1)O)O)O)O","InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1","(3S)-3-hydroxybutyl beta-D-xyloside; (3S)-3-hydroxybutyl D-xyloside; (3S)-3-hydroxybutyl xyloside","2011-09-23","2024-09-27","(3S)-3-hydroxybutyl beta-D-xylopyranoside","2017-07-12"],["RYB","1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","C30 H32 Cl N5 O4 S","CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O;CN(C)CCOc1ccc2cncc(N3CC[C]4(CN(Cc5ccc(Cl)cc45)[S](=O)(=O)CC6(CC6)C#N)C3=O)c2c1;CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N","InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1","","2023-08-22","2023-11-03","1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","2023-11-08"],["07F","5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one","C26 H23 F N2 O2","Fc1cccc(C2=NC(C)=C(Cc3ccccc3)C(=O)N2CCc2ccccc2)c1O;CC1=C(Cc2ccccc2)C(=O)N(CCc3ccccc3)C(=N1)c4cccc(F)c4O;CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4","InChI=1S/C26H23FN2O2/c1-18-22(17-20-11-6-3-7-12-20)26(31)29(16-15-19-9-4-2-5-10-19)25(28-18)21-13-8-14-23(27)24(21)30/h2-14,30H,15-17H2,1H3","","2021-06-04","2021-08-20","5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one","2021-08-25"],["07G","3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid","C23 H22 Cl F2 N3 O4","CC(C)(C)NC(=O)C(c1c2ccc(Cl)cc2[NH]c1C(=O)O)N(C=O)Cc1ccc(F)c(F)c1;CC(C)(C)NC(=O)[CH](N(Cc1ccc(F)c(F)c1)C=O)c2c([nH]c3cc(Cl)ccc23)C(O)=O;CC(C)(C)NC(=O)C(c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O","InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)/t20-/m0/s1","","2011-09-26","2024-05-21","3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid",""],["RYC","(1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","C18 H17 N3 O5","NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)cccc23)C(O)=O;c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)N)C(=O)O","InChI=1S/C18H17N3O5/c19-18(26)20-10-6-4-9(5-7-10)16(23)21-15-11-2-1-3-14(22)12(11)8-13(15)17(24)25/h1-7,13,15,22H,8H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-,15+/m1/s1","","2022-06-23","2022-07-08","(1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["RYD","(1-methylbenzotriazol-5-yl)methanol","C8 H9 N3 O","Cn1nnc2cc(CO)ccc12;Cn1c2ccc(cc2nn1)CO","InChI=1S/C8H9N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-4,12H,5H2,1H3","","2020-03-02","2020-12-25","(1-methylbenzotriazol-5-yl)methanol","2020-12-30"],["07H","[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone","C24 H24 N4 O2","O=C(N1CCN(CC1)CC2=Cc3ccccc3OC2)c4cccc(c4)c5[nH]ncc5;c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5","InChI=1S/C24H24N4O2/c29-24(21-6-3-5-19(15-21)22-8-9-25-26-22)28-12-10-27(11-13-28)16-18-14-20-4-1-2-7-23(20)30-17-18/h1-9,14-15H,10-13,16-17H2,(H,25,26)","","2011-09-26","2011-10-14","[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone",""],["07I","Spliceostatin E (form I)","C26 H37 N O6","C[CH]1C[CH](NC(=O)C=C[CH](C)OC(C)=O)[CH](C)O[CH]1CC=C(C)C=C[CH]2CC(=CC(=O)O2)C;CC1CC(C(OC1CC=C(C)C=CC2CC(=CC(=O)O2)C)C)NC(=O)C=CC(C)OC(=O)C","InChI=1S/C26H37NO6/c1-16(7-10-22-13-17(2)14-26(30)33-22)8-11-24-18(3)15-23(20(5)32-24)27-25(29)12-9-19(4)31-21(6)28/h7-10,12,14,18-20,22-24H,11,13,15H2,1-6H3,(H,27,29)/b10-7+,12-9-,16-8+/t18-,19-,20+,22+,23+,24-/m0/s1","[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate; [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate; 90123658","2021-06-01","2021-07-30","[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-2,5-dimethyl-6-[(2~{E},4~{E})-3-methyl-5-[(2~{S})-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate","2021-08-04"],["RYE","hydrolyzed ceftazidime","C22 H25 N6 O8 S2","CC(C)(ON=C(C(=O)N[CH]([CH]1NC(=C(CS1)C[n+]2ccccc2)C(O)=O)C(O)=O)c3csc(N)n3)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O","InChI=1S/C22H24N6O8S2/c1-22(2,20(34)35)36-27-14(12-10-38-21(23)24-12)16(29)25-15(19(32)33)17-26-13(18(30)31)11(9-37-17)8-28-6-4-3-5-7-28/h3-7,10,15,17,26H,8-9H2,1-2H3,(H5-,23,24,25,29,30,31,32,33,34,35)/p+1/b27-14-/t15-,17+/m0/s1","(2R)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2020-11-03","2020-12-11","(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2020-12-16"],["RYF","~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","C11 H8 I N5","Ic1ccc(Nc2ncnc3[nH]ncc23)cc1;c1cc(ccc1Nc2c3cn[nH]c3ncn2)I","InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)","","2022-12-09","2024-05-10","~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","2024-05-15"],["07J","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea","C26 H31 Cl2 N7 O3","Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc4ccc(N3CCN(CC)CC3)cc4)C;CCN1CCN(CC1)c2ccc(Nc3cc(ncn3)N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)cc2;CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl","InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)","BGJ398","2011-09-27","2020-06-17","3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea",""],["07K","8-methylquinolin-4-amine","C10 H10 N2","n1ccc(c2cccc(c12)C)N;Cc1cccc2c(N)ccnc12;Cc1cccc2c1nccc2N","InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12)","","2011-09-29","2011-10-21","8-methylquinolin-4-amine",""],["RYG","~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide","C11 H14 N2 O3","O=C1NCCCC[CH]1NC(=O)c2occc2;c1cc(oc1)C(=O)NC2CCCCNC2=O","InChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)/t8-/m1/s1","","2020-03-02","2020-06-26","~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide","2020-07-01"],["07L","7-hydroxy-2H-chromen-2-one","C9 H6 O3","O=C2Oc1cc(O)ccc1C=C2;Oc1ccc2C=CC(=O)Oc2c1;c1cc2c(cc1O)OC(=O)C=C2","InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H","7-hydroxycoumarin","2011-09-29","2021-03-01","7-hydroxy-2H-chromen-2-one",""],["RYH","4-(4-aminocarbonylphenoxy)benzoic acid","C14 H11 N O4","NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1;c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)O","InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)","","2023-04-05","2024-09-27","4-(4-aminocarbonylphenoxy)benzoic acid","2023-04-12"],["07M","8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile","C16 H12 N4 O2 S","N#Cc1ncccc1CSc2nc(O)c(C#N)c3c2COCC3;Oc1nc(SCc2cccnc2C#N)c3COCCc3c1C#N;c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3","InChI=1S/C16H12N4O2S/c17-6-12-11-3-5-22-8-13(11)16(20-15(12)21)23-9-10-2-1-4-19-14(10)7-18/h1-2,4H,3,5,8-9H2,(H,20,21)","","2011-09-29","2011-10-28","8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile",""],["RYI","(5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione","C14 H18 N4 O2 S","O=S1(=O)CCC2(CCCN(C2)c2ncnc3[NH]ccc32)C1;O=[S]1(=O)CC[C]2(CCCN(C2)c3ncnc4[nH]ccc34)C1;c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CCS(=O)(=O)C4","InChI=1S/C14H18N4O2S/c19-21(20)7-4-14(9-21)3-1-6-18(8-14)13-11-2-5-15-12(11)16-10-17-13/h2,5,10H,1,3-4,6-9H2,(H,15,16,17)/t14-/m1/s1","","2022-06-23","2022-07-08","(5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione","2022-07-13"],["07N","2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid","C15 H15 Cl2 F N4 O3 S","Clc1c(Cl)c(nc1C(=O)NC3C(F)CN(c2ncc(s2)C(=O)O)CC3)C;Cc1[nH]c(C(=O)N[CH]2CCN(C[CH]2F)c3sc(cn3)C(O)=O)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2F)c3ncc(s3)C(=O)O)Cl)Cl","InChI=1S/C15H15Cl2FN4O3S/c1-6-10(16)11(17)12(20-6)13(23)21-8-2-3-22(5-7(8)18)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/m0/s1","","2011-09-30","2011-11-11","2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid",""],["RYJ","4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide","C9 H9 F3 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1;N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F;c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N","InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)","","2011-05-13","2011-08-05","4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide",""],["07O","S-[(2S)-2-phenylpropanoyl]-L-cysteine","C12 H15 N O3 S","O=C(O)C(N)CSC(=O)C(c1ccccc1)C;C[CH](C(=O)SC[CH](N)C(O)=O)c1ccccc1;CC(c1ccccc1)C(=O)SCC(C(=O)O)N","InChI=1S/C12H15NO3S/c1-8(9-5-3-2-4-6-9)12(16)17-7-10(13)11(14)15/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1","","2011-09-30","2024-09-27","S-[(2S)-2-phenylpropanoyl]-L-cysteine",""],["RYK","(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide","C24 H28 N2 O7","CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4OCc5c4ccc(OC)c5OC;CCNC(=O)N1CCc2cc3c(c(c2C1C4c5ccc(c(c5CO4)OC)OC)OC)OCO3","InChI=1S/C24H28N2O7/c1-5-25-24(27)26-9-8-13-10-17-22(33-12-32-17)23(30-4)18(13)19(26)21-14-6-7-16(28-2)20(29-3)15(14)11-31-21/h6-7,10,19,21H,5,8-9,11-12H2,1-4H3,(H,25,27)/t19-,21+/m1/s1","","2020-11-03","2021-07-02","(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide","2021-07-07"],["07P","N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide","C55 H107 N O8","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCC2CC2CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CCCCCCC[CH]2C[CH]2CCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCCC2CC2CCCCCCCCCC)O","InChI=1S/C55H107NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-38-42-51(59)56-48(45-63-55-54(62)53(61)52(60)50(44-57)64-55)49(58)41-37-33-30-32-36-40-47-43-46(47)39-35-31-28-12-10-8-6-4-2/h46-50,52-55,57-58,60-62H,3-45H2,1-2H3,(H,56,59)/t46-,47-,48+,49-,50-,52+,53+,54-,55+/m1/s1","SMC124","2011-10-03","2020-06-17","N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide",""],["RYM","4-(benzimidazol-1-ylmethyl)benzenecarbonitrile","C15 H11 N3","N#Cc1ccc(Cn2cnc3ccccc23)cc1;c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N","InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2","","2020-03-02","2020-06-26","4-(benzimidazol-1-ylmethyl)benzenecarbonitrile","2020-07-01"],["07Q","1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea","C18 H18 N4 O2 S","COc1cccc(c1)[CH](C)NC(=O)Nc2scc(n2)c3ccncc3;CC(c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3","InChI=1S/C18H18N4O2S/c1-12(14-4-3-5-15(10-14)24-2)20-17(23)22-18-21-16(11-25-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H2,20,21,22,23)/t12-/m1/s1","","2011-10-03","2012-02-10","1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea",""],["RYN","N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine","C9 H17 N5 S","S(c1nc(nc(n1)NC(C)C)NCC)C;CCNc1nc(NC(C)C)nc(SC)n1;CCNc1nc(nc(n1)SC)NC(C)C","InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)","Ametryn","2010-03-05","2020-06-17","N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine",""],["RYO","bryostatin-1","C47 H68 O17","O=C(OC)C=C1CC2CC3(O)OC(CC(OC(C)=O)C3(C)C)CC(O)CC(=O)OC(CC3CC(=C/C(=O)OC)C(OC(=O)C=CC=CCCC)C(O)(O3)C(C)(C)C=CC(C1)O2)C(C)O;CCCC=CC=CC(=O)O[CH]1C(C[CH]2C[CH](OC(=O)C[CH](O)C[CH]3C[CH](OC(C)=O)C(C)(C)[C](O)(C[CH]4CC(C[CH](O4)C=CC(C)(C)[C]1(O)O2)=CC(=O)OC)O3)[CH](C)O)=CC(=O)OC;CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O","InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1","(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1~3,7~.1~11,15~]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate","2023-06-20","2026-03-13","(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1~3,7~.1~11,15~]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate","2026-03-18"],["07R","1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea","C16 H14 N4 O2 S","Oc1cccc(CNC(=O)Nc2scc(n2)c3ccncc3)c1;c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3","InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)","","2011-10-03","2012-08-17","1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea",""],["07S","1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone","C23 H27 N7 O2 S","O=C(N1CCOCC1)CN5CCN(c2cc(ncc2)Nc3ncc(s3)c4cccnc4)CC5;O=C(CN1CCN(CC1)c2ccnc(Nc3sc(cn3)c4cccnc4)c2)N5CCOCC5;c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5","InChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27)","","2011-10-03","2012-04-06","1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone",""],["RYP","~{N}-methyl-1-pyridin-4-yl-methanamine","C7 H10 N2","CNCc1ccncc1;CNCc1ccncc1","InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3","","2020-03-02","2020-04-17","~{N}-methyl-1-pyridin-4-yl-methanamine","2020-04-22"],["RYQ","9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine","C10 H11 N7 S","Cc1nc(Cn2cnc3c(N)nc(N)nc23)cs1;Cc1scc(Cn2cnc3c(N)nc(N)nc23)n1;Cc1nc(cs1)Cn2cnc3c2nc(nc3N)N","InChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16)","","2022-06-23","2022-07-08","9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine","2022-07-13"],["07T","6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one","C17 H16 N4 O2 S2","O=C1N(N=Cc3c1n(c2cc(sc23)S(=O)C)C)Cc4cccc(N)c4;Cn1c2cc(sc2c3C=NN(Cc4cccc(N)c4)C(=O)c13)[S](C)=O;Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)S(=O)C","InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3/t25-/m1/s1","","2011-10-05","2012-09-07","6-(3-aminobenzyl)-4-methyl-2-[(R)-methylsulfinyl]-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one","2012-09-07"],["07U","2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine","C17 H19 N5","n2cc1cc(nc(c1cc2)NCC(N)(C)C)c3ccncc3;CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3;CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N","InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)","","2011-10-06","2011-11-25","2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine",""],["RYR","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide","C22 H20 F3 N3 O2 S","CC(C)(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)C(F)(F)F","InChI=1S/C22H20F3N3O2S/c1-21(2,30-17-8-6-15(7-9-17)22(23,24)25)20(29)28-16-5-3-4-13(10-16)14-11-18(19(26)27)31-12-14/h3-12H,1-2H3,(H3,26,27)(H,28,29)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide","2023-08-02"],["07V","(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one","C10 H14 O","O=C1C(=CCC(C(=C)C)C1)C;CC(=C)[CH]1CC=C(C)C(=O)C1;CC1=CCC(CC1=O)C(=C)C","InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1","R-carvone","2011-10-07","2020-06-17","(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one","2012-09-21"],["RYS","6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","C16 H19 F3 N4 O3","C[C]1(O)CCN(C1)c2nc(cc(c2C#N)C(F)(F)F)N3C[CH](O)[CH](O)C3;CC1(CCN(C1)c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O","InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12+,15-/m0/s1","","2020-03-03","2020-09-18","6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","2020-09-23"],["07Y","(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol","C11 H13 N O7","OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O","InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m0/s1","","2021-06-07","2021-11-12","(2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol","2021-11-17"],["RYT","pentadecaphosphate","H17 O46 P15","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H17O46P15/c1-47(2,3)33-49(7,8)35-51(11,12)37-53(15,16)39-55(19,20)41-57(23,24)43-59(27,28)45-61(31,32)46-60(29,30)44-58(25,26)42-56(21,22)40-54(17,18)38-52(13,14)36-50(9,10)34-48(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,1,2,3)(H2,4,5,6)","bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate","2020-11-04","2021-05-20","bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate","2021-05-19"],["RYU","(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE","C22 H23 N3 O5 S","O=S(=O)(c4cc3C(=C2Nc1ccccc1C2(O)C)C(=O)Nc3cc4)N5CCC(O)CC5;C[C]1(O)C(Nc2ccccc12)=C3C(=O)Nc4ccc(cc34)[S](=O)(=O)N5CCC(O)CC5;CC1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O","InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,23,26,28H,8-11H2,1H3,(H,24,27)/b20-19-/t22-/m0/s1","","2005-01-11","2011-06-04","(2Z,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one",""],["07Z","4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid","C16 H12 N4 O3 S","O=C(O)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3;Nc1nc(Nc2ccc(cc2)C(O)=O)sc1C(=O)c3cccnc3;c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N","InChI=1S/C16H12N4O3S/c17-14-13(12(21)10-2-1-7-18-8-10)24-16(20-14)19-11-5-3-9(4-6-11)15(22)23/h1-8H,17H2,(H,19,20)(H,22,23)","","2011-04-18","2012-10-26","4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid","2012-10-26"],["RYV","N-ethyl-4-sulfamoylbenzamide","C9 H12 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCC)cc1;CCNC(=O)c1ccc(cc1)[S](N)(=O)=O;CCNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)","","2011-05-13","2011-08-05","N-ethyl-4-sulfamoylbenzamide",""],["082","(5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione","C26 H20 N4 O6","O=C1NC(=O)OC1(c2cccc(c2)CN6c3ccccc3N(c5noc4cc(OC)ccc45)C6=O)C;COc1ccc2c(onc2N3C(=O)N(Cc4cccc(c4)[C]5(C)OC(=O)NC5=O)c6ccccc36)c1;CC1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC","InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1","","2011-10-10","2011-11-18","(5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione",""],["RYW","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide","C29 H31 Cl F N5 O5","COc1cc(F)cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl;CC(C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1","ASTX029","2020-11-04","2021-10-01","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide","2021-10-06"],["083","4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide","C21 H18 N6","n1c(cc(nc1C(=N/c4nc(c2ncccc2)cc3c4cccc3)/N)C)C;Cc1cc(C)nc(n1)C(N)=Nc2nc(cc3ccccc23)c4ccccn4;Cc1cc(nc(n1)C(=Nc2c3ccccc3cc(n2)c4ccccn4)N)C","InChI=1S/C21H18N6/c1-13-11-14(2)25-21(24-13)19(22)27-20-16-8-4-3-7-15(16)12-18(26-20)17-9-5-6-10-23-17/h3-12H,1-2H3,(H2,22,26,27)","","2013-03-21","2014-09-05","4,6-dimethyl-N'-[3-(pyridin-2-yl)isoquinolin-1-yl]pyrimidine-2-carboximidamide","2013-05-22"],["084","4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE","C28 H29 F3 N6","FC(F)(F)c5cccc(c1nc(n(c1c2nc(ncc2)NC(c3ccccc3)C)C)C4CCNCC4)c5;C[CH](Nc1nccc(n1)c2n(C)c(nc2c3cccc(c3)C(F)(F)F)C4CCNCC4)c5ccccc5;CC(c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F","InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1","","2003-03-25","2011-06-04","4-{1-methyl-2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]pyrimidin-2-amine",""],["RYX","N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide","C10 H9 F5 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cc1;N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)F;c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N","InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)5-17-8(18)6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)","","2011-05-16","2011-08-05","N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide",""],["RYY","N-propyl-4-sulfamoylbenzamide","C10 H14 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCCC)cc1;CCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;CCCNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C10H14N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)","","2011-05-16","2011-08-05","N-propyl-4-sulfamoylbenzamide",""],["085","4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide","C22 H16 N4 O3","O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5;NC(=O)c1ccc(cc1)c2[nH]c(c3ccc4OCOc4c3)c(n2)c5ccccn5;c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5","InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)","SB431542","2011-10-11","2020-06-17","4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide",""],["RYZ","N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide","C11 H9 F7 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1;N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F;c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N","InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)","","2011-05-16","2011-08-05","N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide",""],["087","2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide","C17 H18 Cl3 N5 O2","Clc1c(Cl)c(nc1C(=O)NC3CCN(c2nc(Cl)cc(C(=O)N)c2)CC3)C;Cc1[nH]c(C(=O)NC2CCN(CC2)c3cc(cc(Cl)n3)C(N)=O)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl","InChI=1S/C17H18Cl3N5O2/c1-8-13(19)14(20)15(22-8)17(27)23-10-2-4-25(5-3-10)12-7-9(16(21)26)6-11(18)24-12/h6-7,10,22H,2-5H2,1H3,(H2,21,26)(H,23,27)","","2011-10-12","2012-01-06","2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide",""],["088","3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid","C29 H24 Cl2 N2 O4","O=C(O)c1cc(ccc1)Cn5ccc4cc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)ccc45;CC(C)c1onc(c1COc2ccc3n(Cc4cccc(c4)C(O)=O)ccc3c2)c5c(Cl)cccc5Cl;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O","InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)","","2009-05-06","2011-06-04","3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid",""],["RZ0","N-butyl-4-sulfamoylbenzamide","C11 H16 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCCCC)cc1;CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)","","2011-05-16","2011-08-05","N-butyl-4-sulfamoylbenzamide",""],["08A","(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid","C29 H30 N4 O3","n5c4c(C)c(C(CC(O)=O)c2cc1CN(CCc1c(c2)C)C(=O)c3ccccc3)ccc4n(CC)n5;CCn1nnc2c(C)c(ccc12)[CH](CC(O)=O)c3cc(C)c4CCN(Cc4c3)C(=O)c5ccccc5;CCn1c2ccc(c(c2nn1)C)C(CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C","InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1","","2019-08-12","2020-01-10","(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid","2020-01-15"],["RZ1","N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide","C12 H9 F9 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1;N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N","InChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)5-23-8(24)6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26)","","2011-05-16","2011-08-05","N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide",""],["RZ4","O-tert-butyl-L-serine","C7 H15 N O3","O=C(O)C(N)COC(C)(C)C;CC(C)(C)OC[CH](N)C(O)=O;CC(C)(C)OCC(C(=O)O)N","InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1","","2011-09-23","2024-09-27","O-tert-butyl-L-serine",""],["08B","4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide","C16 H18 Br N5 O3","Brc1cc(nc1C)C(=O)NC3CCN(c2ncccc2[N+]([O-])=O)CC3;Cc1[nH]c(cc1Br)C(=O)NC2CCN(CC2)c3ncccc3[N+]([O-])=O;Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br","InChI=1S/C16H18BrN5O3/c1-10-12(17)9-13(19-10)16(23)20-11-4-7-21(8-5-11)15-14(22(24)25)3-2-6-18-15/h2-3,6,9,11,19H,4-5,7-8H2,1H3,(H,20,23)","","2011-10-12","2012-01-06","4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide",""],["RZ5","N-pentyl-4-sulfamoylbenzamide","C12 H18 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1;CCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)","","2011-05-16","2011-08-05","N-pentyl-4-sulfamoylbenzamide",""],["08C","2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one","C15 H12 N2 O2","O=C2c3ccccc3N=C(c1ccc(OC)cc1)N2;COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)","","2013-06-20","2014-09-05","2-(4-methoxyphenyl)quinazolin-4(3H)-one","2013-10-30"],["08D","Sulfamethoxazole","C10 H11 N3 O3 S","O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2;Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1;Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N","InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)","4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; SMX; SMZ","2011-10-13","2020-05-26","4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide",""],["RZ7","4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide","C13 H9 F11 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1;N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N","InChI=1S/C13H9F11N2O3S/c14-9(15,10(16,17)11(18,19)12(20,21)13(22,23)24)5-26-8(27)6-1-3-7(4-2-6)30(25,28)29/h1-4H,5H2,(H,26,27)(H2,25,28,29)","","2011-05-17","2011-08-05","4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide",""],["08E","1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid","C20 H15 Cl N4 O3","O=C4NC=CC=C4c2c1cc(Cl)ccc1n(c2C(=O)O)Cc3ccnc(N)c3;Nc1cc(Cn2c3ccc(Cl)cc3c(C4=CC=CNC4=O)c2C(O)=O)ccn1;c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O","InChI=1S/C20H15ClN4O3/c21-12-3-4-15-14(9-12)17(13-2-1-6-24-19(13)26)18(20(27)28)25(15)10-11-5-7-23-16(22)8-11/h1-9H,10H2,(H2,22,23)(H,24,26)(H,27,28)","","2011-10-13","2011-12-02","1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid",""],["RZ8","N-hexyl-4-sulfamoylbenzamide","C13 H20 N2 O3 S","O=S(=O)(N)c1ccc(C(=O)NCCCCCC)cc1;CCCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18)","","2011-05-17","2011-08-05","N-hexyl-4-sulfamoylbenzamide",""],["08F","1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide","C27 H23 Cl N6 O6 S2","O=S(=O)(Nc1cc(ccc1)S(=O)(=O)NC(=O)c3c(c2cc(Cl)ccc2n3Cc4ccnc(N)c4)C5=CC=CNC5=O)C;C[S](=O)(=O)Nc1cccc(c1)[S](=O)(=O)NC(=O)c2n(Cc3ccnc(N)c3)c4ccc(Cl)cc4c2C5=CC=CNC5=O;CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O","InChI=1S/C27H23ClN6O6S2/c1-41(37,38)32-18-4-2-5-19(14-18)42(39,40)33-27(36)25-24(20-6-3-10-31-26(20)35)21-13-17(28)7-8-22(21)34(25)15-16-9-11-30-23(29)12-16/h2-14,32H,15H2,1H3,(H2,29,30)(H,31,35)(H,33,36)","","2011-10-13","2011-12-02","1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide",""],["RZ9","5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one","C13 H14 N6 O2","O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]ccc21;O=C1NN=C(O1)[CH]2CCCN(C2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCCC(C3)C4=NNC(=O)O4","InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m0/s1","","2022-06-23","2022-07-08","5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one","2022-07-13"],["RZA","6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","C15 H17 F3 N4 O3","C[CH]1[CH](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[CH](O)[CH](O)C3;CC1C(CN1c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O","InChI=1S/C15H17F3N4O3/c1-7-10(23)6-22(7)14-8(3-19)9(15(16,17)18)2-13(20-14)21-4-11(24)12(25)5-21/h2,7,10-12,23-25H,4-6H2,1H3/t7-,10+,11-,12+/m0/s1","","2020-03-03","2020-09-18","6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","2020-09-23"],["08G","1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea","C16 H17 N5 O2","C[CH](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3;CC(c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO","InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m0/s1","","2021-06-01","2022-01-28","1-[4-(hydroxymethyl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1~{S})-1-phenylethyl]urea","2022-02-02"],["08H","8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine","C17 H13 Cl N4","Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4;Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12;Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl","InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3","ALPRAZOLAM","2011-10-13","2020-06-17","8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",""],["RZB","(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid","C17 H16 Cl N5 O3","N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O;c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3ccc(cc3)Cl","InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1","","2020-11-04","2021-02-12","(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid","2021-02-17"],["RZC","2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide","C21 H19 Cl2 N3 O2 S","CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(c(c3)Cl)Cl","InChI=1S/C21H19Cl2N3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)","","2022-12-09","2023-07-28","2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide","2023-08-02"],["08I","Trans-Geranyl BACTERIOPHEOPHYTIN A","C55 H66 N4 O6","CCc1c(C)c2[nH]c1cc3nc4c([CH](C(=O)OC)C(=O)c4c3C)c5[nH]c(cc6nc(c2)c(C(C)=O)c6C)c(C)c5CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CCc1c(c2cc3nc(cc4c(c(c([nH]4)c5c6nc(cc1[nH]2)C(=C6C(=O)C5C(=O)OC)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C(=C3C(=O)C)C)C","InChI=1S/C55H66N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h17,19,21,25,27-29,51,56,58H,13-16,18,20,22-24,26H2,1-12H3/b31-19+,32-21+,33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t51-/m1/s1","","2021-06-07","2021-08-13","","2021-08-18"],["RZD","(2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate","C20 H29 N4 O6 P","O=P(O)(O)OCC(NC(=O)C)CN3C(C(=O)NCCc2c1ccccc1nc2)CCC3;CC(=O)N[CH](CO[P](O)(O)=O)CN1CCC[CH]1C(=O)NCCc2c[nH]c3ccccc23;CC(=O)NC(CN1CCCC1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O","InChI=1S/C20H29N4O6P/c1-14(25)23-16(13-30-31(27,28)29)12-24-10-4-7-19(24)20(26)21-9-8-15-11-22-18-6-3-2-5-17(15)18/h2-3,5-6,11,16,19,22H,4,7-10,12-13H2,1H3,(H,21,26)(H,23,25)(H2,27,28,29)/t16-,19+/m1/s1","","2010-07-19","2011-12-30","(2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate",""],["08J","8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine","C18 H13 Cl F N3","Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C;Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12;Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl","InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3","Midazolam","2011-10-13","2020-06-17","8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine",""],["RZE","(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid","C16 H14 Cl F N6 O3","N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O;c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3c(cc(cn3)Cl)F","InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1","","2020-11-04","2021-02-12","(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid","2021-02-17"],["08K","8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine","C17 H14 Cl N5","Clc3ccc2n1c(nnc1C)N(N=C(c2c3)c4ccccc4)C;CN1N=C(c2ccccc2)c3cc(Cl)ccc3n4c(C)nnc14;Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl","InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3","","2011-10-13","2011-11-18","8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine",""],["08L","(2S,5S,8S,13S,16Z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid","C36 H46 N8 O8","O=C(O)C1NC(=O)C=CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1)CCCNC(=O)c2nccnc2)Cc3ccccc3)CC4CCCCC4;OC(=O)[CH]1CCNC(=O)[CH](CCCNC(=O)c2cnccn2)NC(=O)[CH](Cc3ccccc3)NC(=O)[CH](CC4CCCCC4)NC(=O)C=CC(=O)N1;c1ccc(cc1)CC2C(=O)NC(C(=O)NCCC(NC(=O)C=CC(=O)NC(C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4","InChI=1S/C36H46N8O8/c45-30-13-14-31(46)42-27(20-23-8-3-1-4-9-23)34(49)44-28(21-24-10-5-2-6-11-24)35(50)43-25(32(47)40-17-15-26(41-30)36(51)52)12-7-16-39-33(48)29-22-37-18-19-38-29/h2,5-6,10-11,13-14,18-19,22-23,25-28H,1,3-4,7-9,12,15-17,20-21H2,(H,39,48)(H,40,47)(H,41,45)(H,42,46)(H,43,50)(H,44,49)(H,51,52)/b14-13-/t25-,26-,27-,28-/m0/s1","","2011-10-13","2012-02-17","(2S,5S,8S,13S,16Z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid",""],["RZF","2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","C24 H20 Cl2 N4 O3","Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=O)NC)C(=O)c3ccc(Cl)cc32)C1=O;CNC(=O)CN1C[C]2(CCN(C2=O)c3cncc4ccc(Cl)cc34)c5cc(Cl)ccc5C1=O;CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl","InChI=1S/C24H20Cl2N4O3/c1-27-21(31)12-29-13-24(19-9-16(26)4-5-17(19)22(29)32)6-7-30(23(24)33)20-11-28-10-14-2-3-15(25)8-18(14)20/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,31)/t24-/m1/s1","","2023-08-22","2023-11-03","2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide","2023-11-08"],["RZG","methyl 4-sulfamoylbenzoate","C8 H9 N O4 S","COC(=O)c1ccc(cc1)[S](N)(=O)=O;COC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)","","2020-03-03","2020-03-06","methyl 4-sulfamoylbenzoate","2020-03-11"],["08M","N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine","C10 H14 N4 O3","O=C(NCCCC(C(=O)O)N)c1nccnc1;N[CH](CCCNC(=O)c1cnccn1)C(O)=O;c1cnc(cn1)C(=O)NCCCC(C(=O)O)N","InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1","","2011-10-13","2024-09-27","N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine",""],["08N","noscapine","C22 H23 N O7","COc1c2OCOc2cc2CCN(C)C(C3OC(=O)c4c(OC)c(ccc43)OC)c12;COc1ccc2[CH](OC(=O)c2c1OC)[CH]3N(C)CCc4cc5OCOc5c(OC)c34;CN1CCc2cc3c(c(c2C1C4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3","InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1","(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one","2021-06-07","2022-06-24","(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one","2022-06-29"],["RZH","2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN","C13 H17 Br N2","CCc1cc(Br)cc2c(CCN)c(C)[nH]c12;CCc1cc(cc2c1[nH]c(c2CCN)C)Br","InChI=1S/C13H17BrN2/c1-3-9-6-10(14)7-12-11(4-5-15)8(2)16-13(9)12/h6-7,16H,3-5,15H2,1-2H3","","2015-09-10","2015-12-11","2-(5-bromanyl-7-ethyl-2-methyl-1H-indol-3-yl)ethanamine","2015-12-16"],["RZI","9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine","C12 H13 N7 S","Nc1nc(N)nc2c1ncn2Cc1csc(n1)C1CC1;Nc1nc(N)c2ncn(Cc3csc(n3)C4CC4)c2n1;c1c(nc(s1)C2CC2)Cn3cnc4c3nc(nc4N)N","InChI=1S/C12H13N7S/c13-9-8-10(18-12(14)17-9)19(5-15-8)3-7-4-20-11(16-7)6-1-2-6/h4-6H,1-3H2,(H4,13,14,17,18)","","2022-06-23","2022-07-08","9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine","2022-07-13"],["08O","(Z)-docos-13-enoic acid","C22 H42 O2","CCCCCCCCC=CCCCCCCCCCCCC(O)=O;CCCCCCCCC=CCCCCCCCCCCCC(=O)O","InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-","","2022-01-19","2023-01-20","(~{Z})-docos-13-enoic acid","2023-01-25"],["08P","N-(carboxycarbonyl)-D-cysteine","C5 H7 N O5 S","O=C(C(=O)O)NC(C(=O)O)CS;OC(=O)[CH](CS)NC(=O)C(O)=O;C(C(C(=O)O)NC(=O)C(=O)O)S","InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1","N-oxalyl-D-cysteine","2011-10-17","2021-03-01","N-(carboxycarbonyl)-D-cysteine",""],["RZJ","1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide","C10 H14 N2 O2 S","CN1CCCc2ccc(cc12)[S](N)(=O)=O;CN1CCCc2c1cc(cc2)S(=O)(=O)N","InChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)","","2020-03-03","2020-03-06","1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide","2020-03-11"],["RZK","2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine","C10 H13 N5 O","COc1ccc(cc1)c2nnn(CCN)n2;COc1ccc(cc1)c2nnn(n2)CCN","InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3","","2020-11-04","2021-02-12","2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine","2021-02-17"],["08Q","5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine","C12 H20 N3 O7 P S","O=P(O)(OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O)NCCS;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)NCCS)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NCCS)O)O","InChI=1S/C12H20N3O7PS/c1-7-5-15(12(18)14-11(7)17)10-4-8(16)9(22-10)6-21-23(19,20)13-2-3-24/h5,8-10,16,24H,2-4,6H2,1H3,(H2,13,19,20)(H,14,17,18)/t8-,9+,10-/m0/s1","","2011-10-15","2024-09-27","5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine",""],["08R","6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H30 N4 O2","O(CCNCc1ccccc1OC)C2C(CNC2)Cc3nc(N)cc(c3)C;COc1ccccc1CNCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3;Cc1cc(nc(c1)N)CC2CNCC2OCCNCc3ccccc3OC","InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1","","2011-10-18","2012-03-09","6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["RZL","2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide","C21 H20 Br N3 O2 S","CC(C)(Oc1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)Br","InChI=1S/C21H20BrN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)","","2022-12-09","2023-07-28","2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide","2023-08-02"],["08S","3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE","C22 H20 Cl F N4 O3 S3","CC(C)c1sc(N[S](=O)(=O)c2ccc(CCNC(=O)c3sc4cc(F)ccc4c3Cl)cc2)nn1;CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl","InChI=1S/C22H20ClFN4O3S3/c1-12(2)21-26-27-22(33-21)28-34(30,31)15-6-3-13(4-7-15)9-10-25-20(29)19-18(23)16-8-5-14(24)11-17(16)32-19/h3-8,11-12H,9-10H2,1-2H3,(H,25,29)(H,27,28)","","2010-11-19","2011-06-04","3-chloro-6-fluoro-N-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide",""],["RZM","(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside","C12 H23 N O9","O(C1C(O)C(NC1CO)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1N[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O;C(C1C(C(C(N1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C12H23NO9/c14-1-4-7(17)11(5(2-15)13-4)22-12-10(20)9(19)8(18)6(3-16)21-12/h4-20H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1","(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucoside;\n(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl D-glucoside;\n(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl glucoside","2014-07-24","2020-07-17","(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside","2015-08-12"],["08T","[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium ","C10 H14 Be F3 N5 O10 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[CH](O)[CH]3O;[Be](OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(F)(F)F","InChI=1S/C10H15N5O10P2.Be.3FH/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;3*1H/q;+4;;;/p-4/t4-,6-,7-,10-;;;;/m1..../s1","","2011-10-18","2011-12-30","[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium",""],["RZN","(4-phenoxyphenyl)methanol","C13 H12 O2","OCc1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)CO","InChI=1S/C13H12O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2","","2020-11-04","2021-02-12","(4-phenoxyphenyl)methanol","2021-02-17"],["08U","2-bromanyl-N-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide","C7 H12 Br N O5","OC[CH]1O[CH](NC(=O)CBr)[CH](O)[CH]1O;C(C1C(C(C(O1)NC(=O)CBr)O)O)O","InChI=1S/C7H12BrNO5/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7/h3,5-7,10,12-13H,1-2H2,(H,9,11)/t3-,5-,6+,7-/m0/s1","","2021-06-07","2021-11-12","2-bromanyl-~{N}-[(2~{S},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide","2021-11-17"],["RZO","[bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid","C6 H12 Cl2 O7 P2","CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O;CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO","InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+","","2023-04-07","2023-09-08","[bis(chloranyl)-[[(~{E})-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid","2023-09-13"],["RZP","(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","C12 H21 N O12 P2","CC(=O)N[CH](CCC(O)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O;CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O","InChI=1S/C12H21NO12P2/c1-7(14)13-9(3-5-11(17)18)26(21,25-27(22,23)24)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26-/m1/s1","","2020-03-03","2020-08-07","(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","2020-08-12"],["08V","glaucine","C21 H25 N O4","COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC;COc1cc2C[CH]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34;CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC","InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1","(6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","2021-06-07","2022-06-24","(6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","2022-06-29"],["RZR","(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H19 N3 O4","CNC(=O)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O;CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O;CNC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O","InChI=1S/C19H19N3O4/c1-20-19(26)21-13-8-6-11(7-9-13)17(23)22-16-14-5-3-2-4-12(14)10-15(16)18(24)25/h2-9,15-16H,10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t15-,16-/m0/s1","","2022-06-23","2022-07-08","(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["08W","N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide","C15 H13 F3 N6 O5 S","O=C(NC)c3ncn(c2c(cc1c(C(=O)N(C(=O)N1)NS(=O)(=O)C)c2)C(F)(F)F)c3;CNC(=O)c1cn(cn1)c2cc3c(NC(=O)N(N[S](C)(=O)=O)C3=O)cc2C(F)(F)F;CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C","InChI=1S/C15H13F3N6O5S/c1-19-12(25)10-5-23(6-20-10)11-3-7-9(4-8(11)15(16,17)18)21-14(27)24(13(7)26)22-30(2,28)29/h3-6,22H,1-2H3,(H,19,25)(H,21,27)","","2011-10-26","2012-01-06","N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide",""],["08X","(2S,5S,8S,13S,16Z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide","C38 H49 N9 O7","O=C1NC(C(=O)NC(C(=O)NCCC(C(=O)N)NC(=O)C=CC(=O)NC1CC=Cc2ccccc2)CCCNC(=O)c3nccnc3)CC4CCCCC4;NC(=O)[CH]1CCNC(=O)[CH](CCCNC(=O)c2cnccn2)NC(=O)[CH](CC3CCCCC3)NC(=O)[CH](CC=Cc4ccccc4)NC(=O)C=CC(=O)N1;c1ccc(cc1)C=CCC2C(=O)NC(C(=O)NC(C(=O)NCCC(NC(=O)C=CC(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4","InChI=1S/C38H49N9O7/c39-34(50)27-18-20-43-35(51)28(15-8-19-42-36(52)31-24-40-21-22-41-31)46-38(54)30(23-26-11-5-2-6-12-26)47-37(53)29(45-33(49)17-16-32(48)44-27)14-7-13-25-9-3-1-4-10-25/h1,3-4,7,9-10,13,16-17,21-22,24,26-30H,2,5-6,8,11-12,14-15,18-20,23H2,(H2,39,50)(H,42,52)(H,43,51)(H,44,48)(H,45,49)(H,46,54)(H,47,53)/b13-7+,17-16-/t27-,28-,29-,30-/m0/s1","","2011-10-27","2012-02-17","(2S,5S,8S,13S,16Z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-[(2E)-3-phenylprop-2-en-1-yl]-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide",""],["RZS","6-(ethylamino)pyridine-3-carbonitrile","C8 H9 N3","CCNc1ccc(cn1)C#N;CCNc1ccc(cn1)C#N","InChI=1S/C8H9N3/c1-2-10-8-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)","","2020-03-03","2020-03-06","6-(ethylamino)pyridine-3-carbonitrile","2020-03-11"],["RZT","4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide","C24 H25 Cl N4 O2 S","N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c4)C(N)=N;c1cc(cc(c1)NC(=O)C2(CCC(CC2)N)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C24H25ClN4O2S/c25-17-4-6-20(7-5-17)31-24(10-8-18(26)9-11-24)23(30)29-19-3-1-2-15(12-19)16-13-21(22(27)28)32-14-16/h1-7,12-14,18H,8-11,26H2,(H3,27,28)(H,29,30)/t18-,24+","","2022-12-09","2023-07-28","4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide","2023-08-02"],["08Y","bromoergocryptine","C32 H40 Br N5 O5","Brc7nc6cccc5C4=CC(C(=O)NC1(OC3(O)N(C1=O)C(C(=O)N2CCCC23)CC(C)C)C(C)C)CN(C)C4Cc7c56;CC(C)C[CH]1N2C(=O)[C](NC(=O)[CH]3CN(C)[CH]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C]2(O)[CH]7CCCN7C1=O)C(C)C;CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O","InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1","bromocriptine","2011-10-31","2021-03-01","(5alpha,5'beta)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman",""],["RZU","1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide","C26 H23 Cl N4 O3","CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O;CNC(=O)C1(CC1)N2C[C]3(CCN(C3=O)c4cncc5ccccc45)c6cc(Cl)ccc6C2=O;CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl","InChI=1S/C26H23ClN4O3/c1-28-23(33)26(8-9-26)31-15-25(20-12-17(27)6-7-19(20)22(31)32)10-11-30(24(25)34)21-14-29-13-16-4-2-3-5-18(16)21/h2-7,12-14H,8-11,15H2,1H3,(H,28,33)/t25-/m1/s1","","2023-08-22","2023-11-03","1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide","2023-11-08"],["08Z","4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide","C16 H13 N5 O2 S","O=C(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3;NC(=O)c1ccc(Nc2sc(c(N)n2)C(=O)c3cccnc3)cc1;c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N","InChI=1S/C16H13N5O2S/c17-14-13(12(22)10-2-1-7-19-8-10)24-16(21-14)20-11-5-3-9(4-6-11)15(18)23/h1-8H,17H2,(H2,18,23)(H,20,21)","","2011-04-18","2012-10-26","4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide","2012-10-26"],["RZV","(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid","C12 H20 N O9 P","CC(=O)N[CH](CCC(O)=O)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O;CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O","InChI=1S/C12H20NO9P/c1-7(14)13-9(3-5-11(17)18)23(21,22)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9-/m1/s1","","2020-03-03","2020-08-07","(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid","2020-08-12"],["090","N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE","C18 H16 N5 O3","O=C(c1cccnc1)Nc3nc2c(OC)c(OC)ccc2c4[n+]3ccn4;COc1ccc2c3[nH]cc[n+]3c(NC(=O)c4cccnc4)nc2c1OC;COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4","InChI=1S/C18H15N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-10H,1-2H3,(H,20,21,22,24)/p+1","N-(7,8-DIMETHOXY-1,8-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)NICOTINAMIDE; PIK-90","2006-10-19","2020-05-26","7,8-dimethoxy-5-[(pyridin-3-ylcarbonyl)amino]-1H-imidazo[1,2-c]quinazolin-4-ium",""],["091","(3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one","C11 H12 N2 O","O=C2Nc1c(cccc1)C23CCNC3;O=C1Nc2ccccc2[C]13CCNC3;c1ccc2c(c1)C3(CCNC3)C(=O)N2","InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1","","2011-11-01","2012-04-13","(3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one",""],["RZW","5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one","C14 H17 N O4","O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C;COc1cc(OC)c2N(C)C(=O)C=C(C)c2c1OC;CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C","InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3","","2010-06-29","2012-01-06","5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one",""],["RZX","2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole","C18 H21 N3 O3 S","O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C;COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3n2)c1C;Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC","InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1","Rabeprazole","2010-11-09","2021-03-01","2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole",""],["092","methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C13 H14 N2 O3","O=C(OC)C3NCC1(c2c(NC1=O)cccc2)C3;COC(=O)[CH]1C[C]2(CN1)C(=O)Nc3ccccc23;COC(=O)C1CC2(CN1)c3ccccc3NC2=O","InChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1","","2011-11-01","2012-04-13","methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["RZY","(2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","C10 H19 N O10 P2","C[CH](NC(C)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O;CC(NC(=O)C)P(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O","InChI=1S/C10H19NO10P2/c1-6(12)11-7(2)22(17,21-23(18,19)20)5-8(10(15)16)3-4-9(13)14/h7-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)(H2,18,19,20)/t7-,8+,22+/m0/s1","","2020-03-03","2020-08-07","(2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","2020-08-12"],["093","N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE","C14 H16 Cl N3 O4 S2","O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C;CC(=O)N=C1NC(=C(S1)c2ccc(Cl)c(c2)[S](=O)(=O)NCCO)C;CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl","InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)","PIK-93; N-[(2Z)-5-(4-CHLORO-3-{[(2-HYDROXYETHYL)AMINO]SULFONYL}PHENYL)-4-METHYL-1,3-THIAZOL-2(3H)-YLIDENE]ACETAMIDE","2006-03-16","2020-06-17","N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide",""],["RZZ","1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid","C8 H7 B O4","OB1OCc2ccc(cc12)C(O)=O;B1(c2cc(ccc2CO1)C(=O)O)O","InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)","1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid; 1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxylic acid; 5-Carboxybenzoboroxole; 2,1-Benzoxaborole-6-carboxylic acid, 1,3-dihydro-1-hydroxy-","2020-11-04","2024-09-27","1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid","2021-08-11"],["094","1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE","C24 H18 Cl2 F2 N4 O S","Clc1cccc(Cl)c1N3c2cc(c(nc2CNC3=O)Sc4ccc(F)cc4F)C5=CCNCC5;Fc1ccc(Sc2nc3CNC(=O)N(c3cc2C4=CCNCC4)c5c(Cl)cccc5Cl)c(F)c1;c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl","InChI=1S/C24H18Cl2F2N4OS/c25-16-2-1-3-17(26)22(16)32-20-11-15(13-6-8-29-9-7-13)23(31-19(20)12-30-24(32)33)34-21-5-4-14(27)10-18(21)28/h1-6,10-11,29H,7-9,12H2,(H,30,33)","","2003-03-27","2011-06-04","1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one",""],["095","tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C17 H20 N2 O4","O=C(OC1CCOCC1)C4NCC3(c2ccccc2NC3=O)C4;O=C(OC1CCOCC1)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34;c1ccc2c(c1)C3(CC(NC3)C(=O)OC4CCOCC4)C(=O)N2","InChI=1S/C17H20N2O4/c20-15(23-11-5-7-22-8-6-11)14-9-17(10-18-14)12-3-1-2-4-13(12)19-16(17)21/h1-4,11,14,18H,5-10H2,(H,19,21)/t14-,17-/m1/s1","","2011-11-01","2012-04-13","tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["S00","N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C29 H39 N5 O4 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C4N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CC3CCCCC3)CCC4;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)cc1;c1ccc(cc1)CS(=O)(=O)NC(CC2CCCCC2)C(=O)N3CCCC3C(=O)NCc4ccc(cc4)C(=N)N","InChI=1S/C29H39N5O4S/c30-27(31)24-15-13-22(14-16-24)19-32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h2,5-6,10-11,13-16,21,25-26,33H,1,3-4,7-9,12,17-20H2,(H3,30,31)(H,32,35)/t25-,26+/m1/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["096","(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one","C23 H30 N4 O3 S","O=C2N(c1cnccc1)C(SC2)c3cc(OC)c(O)cc3CCCN4CCN(C)CC4;COc1cc([CH]2SCC(=O)N2c3cccnc3)c(CCCN4CCN(C)CC4)cc1O;CN1CCN(CC1)CCCc2cc(c(cc2C3N(C(=O)CS3)c4cccnc4)OC)O","InChI=1S/C23H30N4O3S/c1-25-9-11-26(12-10-25)8-4-5-17-13-20(28)21(30-2)14-19(17)23-27(22(29)16-31-23)18-6-3-7-24-15-18/h3,6-7,13-15,23,28H,4-5,8-12,16H2,1-2H3/t23-/m1/s1","","2009-08-31","2011-06-04","(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-(pyridin-3-yl)-1,3-thiazolidin-4-one",""],["S01","1-[4-(8-CHLORO-3-METHYL-5,6-DIHYDRO-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YLIDENE)-PIPERIDIN-1-YL]-2-PYRIDIN-4-YL-ETHANONE","C27 H26 Cl N3 O","O=C(N4CCC(=C2/c1ccc(Cl)cc1CCc3cc(cnc23)C)CC4)Cc5ccncc5;Cc1cnc2c(CCc3cc(Cl)ccc3C2=C4CCN(CC4)C(=O)Cc5ccncc5)c1;Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl","InChI=1S/C27H26ClN3O/c1-18-14-22-3-2-21-16-23(28)4-5-24(21)26(27(22)30-17-18)20-8-12-31(13-9-20)25(32)15-19-6-10-29-11-7-19/h4-7,10-11,14,16-17H,2-3,8-9,12-13,15H2,1H3","","1999-07-08","2011-06-04","8-chloro-3-methyl-11-[1-(pyridin-4-ylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine",""],["097","(2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide","C15 H29 N3 O5","CNC(=O)[CH](NC(=O)[CH](CC(C)C)[CH](O)C(=O)NO)C(C)(C)C;CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C","InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1","MARIMASTAT","2003-10-16","2021-03-01","(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-butan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide",""],["S02","PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER","C18 H31 O7 P","O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2;OCCO[CH]1CC[C](CC1)=[CH][CH]=[C]2CC[CH](CC2)OCCO[P](O)(O)=O;C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO","InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1","STILBENEDIETHER NUCLEOTIDE LINKER","1999-08-18","2021-03-01","2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate",""],["098","(3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide","C24 H29 N3 O5","O=C(NO)C(NCC1CC1)C(C(=O)NC3c2ccccc2CC3O)Cc4cccc(O)c4;ONC(=O)[CH](NCC1CC1)[CH](Cc2cccc(O)c2)C(=O)N[CH]3[CH](O)Cc4ccccc34;c1ccc2c(c1)CC(C2NC(=O)C(Cc3cccc(c3)O)C(C(=O)NO)NCC4CC4)O","InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1","","2009-06-24","2011-06-04","(3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide",""],["S03","1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL","C25 H27 N5 O2","O(c1cccc(c1)c3c2c(ncnc2n(c3)c4ccc(cc4)CN5CCC(O)CC5)N)C;COc1cccc(c1)c2cn(c3ccc(CN4CCC(O)CC4)cc3)c5ncnc(N)c25;COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O","InChI=1S/C25H27N5O2/c1-32-21-4-2-3-18(13-21)22-15-30(25-23(22)24(26)27-16-28-25)19-7-5-17(6-8-19)14-29-11-9-20(31)10-12-29/h2-8,13,15-16,20,31H,9-12,14H2,1H3,(H2,26,27,28)","","2005-02-07","2011-06-04","1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol",""],["099","(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide","C20 H22 N2 O5","O=C(NO)CC(C(=O)NC2c1ccccc1CC2O)Cc3cccc(O)c3;ONC(=O)C[CH](Cc1cccc(O)c1)C(=O)N[CH]2[CH](O)Cc3ccccc23;c1ccc2c(c1)CC(C2NC(=O)C(Cc3cccc(c3)O)CC(=O)NO)O","InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1","","2009-06-24","2011-06-04","(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide",""],["S04","N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide","C29 H39 Cl N4 O4 S","O=C(NCc1cc(Cl)ccc1CN)C4N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CC3CCCCC3)CCC4;NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4;c1ccc(cc1)CS(=O)(=O)NC(CC2CCCCC2)C(=O)N3CCCC3C(=O)NCc4cc(ccc4CN)Cl","InChI=1S/C29H39ClN4O4S/c30-25-14-13-23(18-31)24(17-25)19-32-28(35)27-12-7-15-34(27)29(36)26(16-21-8-3-1-4-9-21)33-39(37,38)20-22-10-5-2-6-11-22/h2,5-6,10-11,13-14,17,21,26-27,33H,1,3-4,7-9,12,15-16,18-20,31H2,(H,32,35)/t26-,27+/m1/s1","","2011-04-26","2012-04-20","N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide",""],["09A","benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C19 H18 N2 O3","O=C(OCc1ccccc1)C4NCC2(c3c(NC2=O)cccc3)C4;O=C(OCc1ccccc1)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34;c1ccc(cc1)COC(=O)C2CC3(CN2)c4ccccc4NC3=O","InChI=1S/C19H18N2O3/c22-17(24-11-13-6-2-1-3-7-13)16-10-19(12-20-16)14-8-4-5-9-15(14)21-18(19)23/h1-9,16,20H,10-12H2,(H,21,23)/t16-,19-/m1/s1","","2011-11-01","2012-04-13","benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["S05","3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone","C18 H22 N4 O","O=C(N2c1ccccc1CCC2)N4CCC(c3cncn3)CC4;O=C(N1CCC(CC1)c2[nH]cnc2)N3CCCc4ccccc34;c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4","InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)","","2011-02-18","2012-02-17","3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone",""],["S06","(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol","C18 H21 N O6","O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO;OC[CH]1O[C]2(C[CH](NO2)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)C3CC4(C(C(C(C(O4)CO)O)O)O)ON3","InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1","(1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]","2007-09-04","2020-06-17","(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-naphthalen-2-yl-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",""],["09B","4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C20 H17 N3 O3","N#Cc1ccc(cc1)COC(=O)C4NCC2(c3c(NC2=O)cccc3)C4;O=C1Nc2ccccc2[C]13CN[CH](C3)C(=O)OCc4ccc(cc4)C#N;c1ccc2c(c1)C3(CC(NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2","InChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1","","2011-11-01","2012-04-13","4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["09C","(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one","C20 H16 Br2 N4 O","Brc1cc2c(cc1)c(cn2)C5C(=O)NCC(c3cnc4cc(Br)ccc34)N5;Brc1ccc2c([nH]cc2[CH]3CNC(=O)[CH](N3)c4c[nH]c5cc(Br)ccc45)c1;c1cc2c(cc1Br)[nH]cc2C3CNC(=O)C(N3)c4c[nH]c5c4ccc(c5)Br","InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1","cis-3,4-dihydrohamacanthin B","2011-07-26","2020-06-17","(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one",""],["S07","2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone","C14 H19 N O3","Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1;Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2","InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3","","2020-03-03","2020-06-26","2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone","2020-07-01"],["09D","(4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C21 H19 Br N2 O3 S","O=C2Nc1ccccc1C23CC(NC3)C(=O)OC4c5c(SCC4)ccc(Br)c5;Brc1ccc2SCC[CH](OC(=O)[CH]3C[C]4(CN3)C(=O)Nc5ccccc45)c2c1;c1ccc2c(c1)C3(CC(NC3)C(=O)OC4CCSc5c4cc(cc5)Br)C(=O)N2","InChI=1S/C21H19BrN2O3S/c22-12-5-6-18-13(9-12)17(7-8-28-18)27-19(25)16-10-21(11-23-16)14-3-1-2-4-15(14)24-20(21)26/h1-6,9,16-17,23H,7-8,10-11H2,(H,24,26)/t16-,17+,21-/m1/s1","","2011-11-01","2012-04-13","(4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["S08","2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid","C18 H17 B N2 O6","NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3;B1(c2cc(ccc2C(O1)CC(=O)O)C(=O)NC(c3ccccc3)C(=O)N)O","InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1","2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid","2020-11-04","2024-09-27","2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid","2021-08-11"],["S09","(1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C24 H21 N3 O5","O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3;c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=O)NC3c4cccc(c4CC3C(=O)O)O","InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m1/s1","","2022-06-23","2022-07-08","(1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["09E","(4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C21 H19 Br N2 O5 S","O=C2Nc1ccccc1C23CC(NC3)C(=O)OC5c4c(ccc(Br)c4)S(=O)(=O)CC5;Brc1ccc2c(c1)[CH](CC[S]2(=O)=O)OC(=O)[CH]3C[C]4(CN3)C(=O)Nc5ccccc45;c1ccc2c(c1)C3(CC(NC3)C(=O)OC4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2","InChI=1S/C21H19BrN2O5S/c22-12-5-6-18-13(9-12)17(7-8-30(18,27)28)29-19(25)16-10-21(11-23-16)14-3-1-2-4-15(14)24-20(21)26/h1-6,9,16-17,23H,7-8,10-11H2,(H,24,26)/t16-,17+,21-/m1/s1","","2011-11-01","2012-04-13","(4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["S0A","1-[(1R)-1-cyclopropylethyl]-3-phenylurea","C12 H16 N2 O","O=C(Nc1ccccc1)NC(C)C2CC2;C[CH](NC(=O)Nc1ccccc1)C2CC2;CC(C1CC1)NC(=O)Nc2ccccc2","InChI=1S/C12H16N2O/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14,15)/t9-/m1/s1","","2013-11-05","2014-04-11","1-[(1R)-1-cyclopropylethyl]-3-phenylurea","2014-04-16"],["09F","1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C19 H21 N3 O3","N#CC4(OC(=O)C3NCC1(c2c(NC1=O)cccc2)C3)CCCCC4;O=C1Nc2ccccc2[C]13CN[CH](C3)C(=O)OC4(CCCCC4)C#N;c1ccc2c(c1)C3(CC(NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2","InChI=1S/C19H21N3O3/c20-11-18(8-4-1-5-9-18)25-16(23)15-10-19(12-21-15)13-6-2-3-7-14(13)22-17(19)24/h2-3,6-7,15,21H,1,4-5,8-10,12H2,(H,22,24)/t15-,19-/m1/s1","","2011-11-01","2012-04-13","1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["09G","3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate","C20 H16 Br N3 O3","N#Cc1ccc(cc1Br)COC(=O)C4NCC2(c3c(NC2=O)cccc3)C4;Brc1cc(COC(=O)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34)ccc1C#N;c1ccc2c(c1)C3(CC(NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2","InChI=1S/C20H16BrN3O3/c21-15-7-12(5-6-13(15)9-22)10-27-18(25)17-8-20(11-23-17)14-3-1-2-4-16(14)24-19(20)26/h1-7,17,23H,8,10-11H2,(H,24,26)/t17-,20-/m1/s1","","2011-11-01","2012-04-13","3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate",""],["S0B","(5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine","C12 H16 N2 S","N1=C(SC(C)C1)NCCc2ccccc2;C[CH]1CN=C(NCCc2ccccc2)S1;CC1CN=C(S1)NCCc2ccccc2","InChI=1S/C12H16N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1","","2013-11-06","2014-04-11","(5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine","2014-04-16"],["09H","2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide","C22 H22 N4 O2 S","O=C(c1nc(sc1)c3cc2c(OCC2)cc3)Nc5ccccc5N4CCNCC4;O=C(Nc1ccccc1N2CCNCC2)c3csc(n3)c4ccc5OCCc5c4;c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5","InChI=1S/C22H22N4O2S/c27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20/h1-6,13-14,23H,7-12H2,(H,24,27)","","2011-11-01","2012-01-20","2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide",""],["S0C","2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide","C10 H14 N2 O S","O=C(Nc1nccs1)CC2CCCC2;O=C(CC1CCCC1)Nc2sccn2;c1csc(n1)NC(=O)CC2CCCC2","InChI=1S/C10H14N2OS/c13-9(7-8-3-1-2-4-8)12-10-11-5-6-14-10/h5-6,8H,1-4,7H2,(H,11,12,13)","","2013-11-06","2014-04-11","2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide","2014-04-16"],["S0D","2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole","C11 H10 N4","n3cc(c1nc2c(n1)cccc2)cn3C;Cn1cc(cn1)c2[nH]c3ccccc3n2;Cn1cc(cn1)c2[nH]c3ccccc3n2","InChI=1S/C11H10N4/c1-15-7-8(6-12-15)11-13-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,13,14)","","2013-11-06","2014-04-11","2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole","2014-04-16"],["09I","3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide","C20 H22 F N7 O2","NC(=N)NC(=O)c1nc(c2oc3cccc(F)c3c2)c(nc1N)N4CCCCCC4;c1cc2c(cc(o2)c3c(nc(c(n3)C(=O)NC(=N)N)N)N4CCCCCC4)c(c1)F","InChI=1S/C20H22FN7O2/c21-12-6-5-7-13-11(12)10-14(30-13)15-18(28-8-3-1-2-4-9-28)26-17(22)16(25-15)19(29)27-20(23)24/h5-7,10H,1-4,8-9H2,(H2,22,26)(H4,23,24,27,29)","","2018-02-16","2018-12-14","3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide","2018-12-19"],["09J","3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide","C24 H21 Cl F N5 O2","O=C(NC1CC1)c5cc(C3=Cc2nnc(n2N(C3=O)CC)c4c(F)cccc4Cl)c(cc5)C;CCN1n2c(C=C(C1=O)c3cc(ccc3C)C(=O)NC4CC4)nnc2c5c(F)cccc5Cl;CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5","InChI=1S/C24H21ClFN5O2/c1-3-30-24(33)17(16-11-14(8-7-13(16)2)23(32)27-15-9-10-15)12-20-28-29-22(31(20)30)21-18(25)5-4-6-19(21)26/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,27,32)","","2011-11-02","2012-08-24","3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide","2012-08-24"],["S0E","6-(trifluoromethyl)-1,3-benzothiazol-2-amine","C8 H5 F3 N2 S","FC(F)(F)c1ccc2nc(sc2c1)N;Nc1sc2cc(ccc2n1)C(F)(F)F;c1cc2c(cc1C(F)(F)F)sc(n2)N","InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)","","2013-11-06","2014-04-11","6-(trifluoromethyl)-1,3-benzothiazol-2-amine","2014-04-16"],["09K","N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide","C15 H14 F3 N3 O2","FC(F)(F)Oc1ccc(cc1)CC(=O)Nc2cc(nn2)C3CC3;FC(F)(F)Oc1ccc(CC(=O)Nc2[nH]nc(c2)C3CC3)cc1;c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F","InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)","","2011-07-05","2013-05-03","N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide","2013-05-08"],["S0F","5-(4-bromobenzyl)-1,3-thiazol-2-amine","C10 H9 Br N2 S","Brc1ccc(cc1)Cc2sc(nc2)N;Nc1sc(Cc2ccc(Br)cc2)cn1;c1cc(ccc1Cc2cnc(s2)N)Br","InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)","","2013-11-06","2014-04-11","5-(4-bromobenzyl)-1,3-thiazol-2-amine","2014-04-16"],["09L","4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one","C24 H23 F N4 O3","O=C(N4CCN(C(=O)c1c(F)ccc(c1)CC3=NNC(=O)c2c3cccc2)CC4)C5CC5;Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5;c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F","InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)","Olaparib","2011-11-03","2021-03-01","4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one",""],["S0G","6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione","C10 H16 N4 O2","O=C1C(=C(N)N(C(=O)N1)C)N2CCCCC2;CN1C(=C(N2CCCCC2)C(=O)NC1=O)N;CN1C(=C(C(=O)NC1=O)N2CCCCC2)N","InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)","","2013-11-06","2014-04-11","6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione","2014-04-16"],["09M","(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C17 H18 N3 O7 P","O=P(O)(O)OCc1cnc(c(O)c1CNC3=Cc2c(cccc2)N(O)C3=O)C;Cc1ncc(CO[P](O)(O)=O)c(CNC2=Cc3ccccc3N(O)C2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O","InChI=1S/C17H18N3O7P/c1-10-16(21)13(12(7-18-10)9-27-28(24,25)26)8-19-14-6-11-4-2-3-5-15(11)20(23)17(14)22/h2-7,19,21,23H,8-9H2,1H3,(H2,24,25,26)","","2011-11-03","2012-01-27","(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["S0H","(S)-2-HYDROXYPROPYLPHOSPHONIC ACID","C3 H9 O4 P","O=P(O)(O)CC(O)C;C[CH](O)C[P](O)(O)=O;CC(CP(=O)(O)O)O","InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1","","2005-07-06","2011-06-04","[(2S)-2-hydroxypropyl]phosphonic acid",""],["09N","(11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide","C44 H83 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCC=C/CC=C/CCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCC=CCC=CCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCC=CCC=CCCCCC)O)O","InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11-,18-17-/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1","C20:2-alpha-galactosylceramide","2011-11-04","2021-03-01","(11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide",""],["S0I","4-benzyl-3,4-dihydroquinoxalin-2(1H)-one","C15 H14 N2 O","O=C2Nc1c(cccc1)N(C2)Cc3ccccc3;O=C1CN(Cc2ccccc2)c3ccccc3N1;c1ccc(cc1)CN2CC(=O)Nc3c2cccc3","InChI=1S/C15H14N2O/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h1-9H,10-11H2,(H,16,18)","","2013-11-07","2014-04-11","4-benzyl-3,4-dihydroquinoxalin-2(1H)-one","2014-04-16"],["09O","1-(pyridin-3-yl)-1,4-diazepane","C10 H15 N3","n1cc(ccc1)N2CCCNCC2;C1CNCCN(C1)c2cccnc2;c1cc(cnc1)N2CCCNCC2","InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2","","2011-11-07","2011-12-09","1-(pyridin-3-yl)-1,4-diazepane",""],["S0J","4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine","C14 H19 N3 O S","n3c(c1c(n(c(c1)C)CC2OCCC2)C)csc3N;Cc1cc(c(C)n1C[CH]2CCCO2)c3csc(N)n3;Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)N","InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)/t11-/m1/s1","","2013-11-07","2014-04-11","4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine","2014-04-16"],["09P","1-(5-ethoxypyridin-3-yl)-1,4-diazepane","C12 H19 N3 O","O(c1cc(cnc1)N2CCCNCC2)CC;CCOc1cncc(c1)N2CCCNCC2;CCOc1cc(cnc1)N2CCCNCC2","InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3","","2011-11-07","2011-12-09","1-(5-ethoxypyridin-3-yl)-1,4-diazepane",""],["S0K","N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide","C15 H16 N2 O2 S","O=C(Nc1ccccc1N2CCOCC2)c3ccsc3;O=C(Nc1ccccc1N2CCOCC2)c3cscc3;c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3","InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18)","","2013-11-07","2014-04-11","N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide","2014-04-16"],["S0L","4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide","C23 H21 N7 O","N(c3cc(c1nncn1C2CC2)ccc3)C(=O)c4nccc(c4)n5cnc(c5)C6CC6;O=C(Nc1cccc(c1)c2nncn2C3CC3)c4cc(ccn4)n5cnc(c5)C6CC6;c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6","InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)","","2018-07-13","2018-09-14","4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide","2018-09-19"],["09Q","1-(5-phenylpyridin-3-yl)-1,4-diazepane","C16 H19 N3","n2cc(cc(c1ccccc1)c2)N3CCCNCC3;C1CNCCN(C1)c2cncc(c2)c3ccccc3;c1ccc(cc1)c2cc(cnc2)N3CCCNCC3","InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2","","2011-11-07","2011-12-09","1-(5-phenylpyridin-3-yl)-1,4-diazepane",""],["S0N","o-succinylbenzoyl-N-coenzyme A","C32 H45 N8 O20 P3","O=C(O)c1ccccc1C(=O)CCC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O","InChI=1S/C32H45N8O20P3/c1-32(2,26(45)29(46)36-10-9-22(43)35-12-11-34-21(42)8-7-19(41)17-5-3-4-6-18(17)31(47)48)14-57-63(54,55)60-62(52,53)56-13-20-25(59-61(49,50)51)24(44)30(58-20)40-16-39-23-27(33)37-15-38-28(23)40/h3-6,15-16,20,24-26,30,44-45H,7-14H2,1-2H3,(H,34,42)(H,35,43)(H,36,46)(H,47,48)(H,52,53)(H,54,55)(H2,33,37,38)(H2,49,50,51)/t20-,24-,25-,26+,30-/m1/s1","","2011-08-05","2011-08-19","2-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19,22-tetraoxo-2,4,6-trioxa-11,15,18-triaza-3lambda~5~,5lambda~5~-diphosphadocosan-22-yl}benzoic acid (non-preferred name)",""],["09R","1-(6-bromopyridin-3-yl)-1,4-diazepane","C10 H14 Br N3","Brc1ncc(cc1)N2CCCNCC2;Brc1ccc(cn1)N2CCCNCC2;c1cc(ncc1N2CCCNCC2)Br","InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2","","2011-11-07","2011-12-09","1-(6-bromopyridin-3-yl)-1,4-diazepane",""],["09S","1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane","C12 H18 Br N3 O","Brc1ncc(cc1OCC)N2CCCNCC2;CCOc1cc(cnc1Br)N2CCCNCC2;CCOc1cc(cnc1Br)N2CCCNCC2","InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3","","2011-11-07","2011-12-09","1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane",""],["S0O","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide","C21 H21 N3 O2 S","CC(C)(Oc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccccc3","InChI=1S/C21H21N3O2S/c1-21(2,26-17-9-4-3-5-10-17)20(25)24-16-8-6-7-14(11-16)15-12-18(19(22)23)27-13-15/h3-13H,1-2H3,(H3,22,23)(H,24,25)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide","2023-08-02"],["09T","1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole","C16 H14 Cl2 N2","Clc1ccc(cc1Cl)Cn2c3cc(c(cc3nc2)C)C;Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C;Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl","InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3","","2011-11-09","2012-06-01","1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole",""],["S0P","~{N}-(4-cyanophenyl)ethanamide","C9 H8 N2 O","CC(=O)Nc1ccc(cc1)C#N;CC(=O)Nc1ccc(cc1)C#N","InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)","","2020-03-03","2020-06-26","~{N}-(4-cyanophenyl)ethanamide","2020-07-01"],["S0Q","2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid","C17 H20 B N3 O7","CN1CCN(CC1=O)C(=O)CNC(=O)c2ccc3[CH](CC(O)=O)OB(O)c3c2;B1(c2cc(ccc2C(O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O","InChI=1S/C17H20BN3O7/c1-20-4-5-21(9-15(20)23)14(22)8-19-17(26)10-2-3-11-12(6-10)18(27)28-13(11)7-16(24)25/h2-3,6,13,27H,4-5,7-9H2,1H3,(H,19,26)(H,24,25)/t13-/m0/s1","2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid","2020-11-04","2024-09-27","2-[(3~{S})-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid","2021-08-11"],["09U","(methoxymethyl)cyclopropane","C5 H10 O","cyclopropylmethyl methyl ether;COCC1CC1;COCC1CC1","InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","","2011-11-15","2012-12-07","(methoxymethyl)cyclopropane","2012-12-07"],["09V","cyclopropylmethanol","C4 H8 O","OCC1CC1;OCC1CC1;C1CC1CO","InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","","2011-11-16","2012-12-07","cyclopropylmethanol","2012-12-07"],["S0R","(2S)-2-benzamido-4-methyl-pentanoic acid","C13 H17 N O3","CC(C)C[CH](NC(=O)c1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)c1ccccc1","InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1","","2023-04-07","2024-09-27","(2~{S})-2-benzamido-4-methyl-pentanoic acid","2023-04-19"],["09W","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide","C21 H19 N3 O2 S","NC(=N)c1sc(CNC(=O)c2cccc3CCOc23)c(c1)c4ccccc4;c1ccc(cc1)c2cc(sc2CNC(=O)c3cccc4c3OCC4)C(=N)N","InChI=1S/C21H19N3O2S/c22-20(23)17-11-16(13-5-2-1-3-6-13)18(27-17)12-24-21(25)15-8-4-7-14-9-10-26-19(14)15/h1-8,11H,9-10,12H2,(H3,22,23)(H,24,25)","","2021-06-03","2022-06-17","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide","2022-06-22"],["S0S","(3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol","C10 H14 N2 O3 S","O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2;c1cc(cnc1)CNC2CS(=O)(=O)CC2O","InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1","","2020-03-03","2020-06-26","(3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol","2020-07-01"],["09X","2-bromanyl-N-[(2R,3R,4R,5S}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide","C7 H12 Br N O5","OC[CH]1O[CH](NC(=O)CBr)[CH](O)[CH]1O;C(C1C(C(C(O1)NC(=O)CBr)O)O)O","InChI=1S/C7H12BrNO5/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7/h3,5-7,10,12-13H,1-2H2,(H,9,11)/t3-,5-,6+,7+/m0/s1","","2021-06-07","2021-11-12","2-bromanyl-~{N}-[(2~{R},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide","2021-11-17"],["S0T","(1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","C24 H21 N3 O5","O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O;OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3;c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=O)NC3c4cccc(c4CC3C(=O)O)O","InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m0/s1","","2022-06-23","2022-07-08","(1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["09Y","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide","C20 H20 N4 O4","OC1=C(N=C(NC1=O)c1ccccc1C)C(=O)NCCc1ccnc(OC)c1;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3C)ccn1;Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccnc(c3)OC","InChI=1S/C20H20N4O4/c1-12-5-3-4-6-14(12)18-23-16(17(25)20(27)24-18)19(26)22-10-8-13-7-9-21-15(11-13)28-2/h3-7,9,11,25H,8,10H2,1-2H3,(H,22,26)(H,23,24,27)","","2021-06-07","2022-06-03","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2022-06-08"],["S0U","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide","C21 H22 N4 O S","CC(C)(Nc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Nc3ccccc3","InChI=1S/C21H22N4OS/c1-21(2,25-16-8-4-3-5-9-16)20(26)24-17-10-6-7-14(11-17)15-12-18(19(22)23)27-13-15/h3-13,25H,1-2H3,(H3,22,23)(H,24,26)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide","2023-08-02"],["S0V","morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone","C7 H9 N3 O2 S","O=C(N1CCOCC1)c2csnn2;c1c(nns1)C(=O)N2CCOCC2","InChI=1S/C7H9N3O2S/c11-7(6-5-13-9-8-6)10-1-3-12-4-2-10/h5H,1-4H2","","2020-03-03","2020-06-26","morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone","2020-07-01"],["09Z","[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","C12 H14 N4 O S","O=C(c1sc(nc1N)NC(C)C)c2cccnc2;CC(C)Nc1sc(c(N)n1)C(=O)c2cccnc2;CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N","InChI=1S/C12H14N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7H,13H2,1-2H3,(H,15,16)","","2011-04-18","2012-10-26","[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","2012-10-26"],["0A","L-ADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1","","2009-07-27","2015-04-24","9-(5-O-phosphono-beta-L-ribofuranosyl)-9H-purin-6-amine","2015-04-29"],["S0W","3-(4-CHLOROPHENYL)PROPANOIC ACID","C9 H9 Cl O2","OC(=O)CCc1ccc(Cl)cc1;c1cc(ccc1CCC(=O)O)Cl","InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)","","2015-11-16","2016-04-08","3-(4-chlorophenyl)propanoic acid","2016-04-13"],["0A0","2-methyl-L-aspartic acid","C5 H9 N O4","O=C(O)CC(N)(C(=O)O)C;C[C](N)(CC(O)=O)C(O)=O;CC(CC(=O)O)(C(=O)O)N","InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1","","2007-11-09","2024-09-27","2-methyl-L-aspartic acid",""],["S0X","2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide","C27 H27 Cl N4 O2","Clc1ccc2CN(CC3(CCN(C3=O)c3cncc4ccccc43)c2c1)CC(=O)NCC1CC1;Clc1ccc2CN(CC(=O)NCC3CC3)C[C]4(CCN(C4=O)c5cncc6ccccc56)c2c1;c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6","InChI=1S/C27H27ClN4O2/c28-21-8-7-20-15-31(16-25(33)30-12-18-5-6-18)17-27(23(20)11-21)9-10-32(26(27)34)24-14-29-13-19-3-1-2-4-22(19)24/h1-4,7-8,11,13-14,18H,5-6,9-10,12,15-17H2,(H,30,33)/t27-/m1/s1","","2023-08-22","2023-11-03","2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide","2023-11-08"],["0A1","O-methyl-L-tyrosine","C10 H13 N O3","O=C(O)C(N)Cc1ccc(OC)cc1;COc1ccc(C[CH](N)C(O)=O)cc1;COc1ccc(cc1)CC(C(=O)O)N","InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1","","2007-11-09","2024-09-27","O-methyl-L-tyrosine",""],["S0Y","2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid","C13 H10 O3","Cc1ccc2oc(C#C)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O","InChI=1S/C13H10O3/c1-3-11-10(7-13(14)15)9-6-8(2)4-5-12(9)16-11/h1,4-6H,7H2,2H3,(H,14,15)","","2020-03-03","2021-02-26","2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid","2021-03-03"],["0A2","[(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)","C9 H24 B N2 O3","O[B-](OCC)(OCC)C(N)CCCCN;CCO[B-](O)(OCC)[CH](N)CCCCN;[B-](C(CCCCN)N)(O)(OCC)OCC","InChI=1S/C9H24BN2O3/c1-3-14-10(13,15-4-2)9(12)7-5-6-8-11/h9,13H,3-8,11-12H2,1-2H3/q-1/t9-/m0/s1","","2007-11-09","2011-06-04","[(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)",""],["S0Z","methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate","C17 H16 B N O5","COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3;B1(c2cc(ccc2CO1)C(=O)NC(c3ccccc3)C(=O)OC)O","InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1","methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate","2020-11-04","2024-09-27","methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate","2021-08-11"],["0A3","(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H17 N5 O6 S2","O=C(O)C(NC(=O)/C(=NOC)c1nc(sc1)N)C2SCC(=C(N2)C(=O)O)C;CON=C(C(=O)N[CH]([CH]1NC(=C(C)CS1)C(O)=O)C(O)=O)c2csc(N)n2;CC1=C(NC(SC1)C(C(=O)O)NC(=O)C(=NOC)c2csc(n2)N)C(=O)O","InChI=1S/C14H17N5O6S2/c1-5-3-26-11(18-7(5)12(21)22)9(13(23)24)17-10(20)8(19-25-2)6-4-27-14(15)16-6/h4,9,11,18H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,21,22)(H,23,24)/b19-8-/t9-,11+/m0/s1","","2007-11-09","2017-01-20","(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["S10","DIETHYL PROPANE-1,3-DIYLBISCARBAMATE","C9 H18 N2 O4","O=C(OCC)NCCCNC(=O)OCC;CCOC(=O)NCCCNC(=O)OCC;CCOC(=O)NCCCNC(=O)OCC","InChI=1S/C9H18N2O4/c1-3-14-8(12)10-6-5-7-11-9(13)15-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)","","2005-10-26","2011-06-04","diethyl propane-1,3-diylbiscarbamate",""],["0A4","(2R)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H14 N2 O5 S2","O=C(O)C(NC(=O)Cc1sccc1)C2N=C(C(=C)CS2)C(=O)O;OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2SCC(=C)C(=N2)C(O)=O;C=C1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)Cc2cccs2","InChI=1S/C14H14N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12H,1,5-6H2,(H,15,17)(H,18,19)(H,20,21)/t11-,12+/m0/s1","","2007-11-09","2011-06-04","(2R)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["S11","5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE","C20 H20 Cl2 N4 O2 S","O=C(OCc2nc(c(Sc1cc(Cl)cc(Cl)c1)n2Cc3ccncc3)C(C)C)N;CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc3cc(Cl)cc(Cl)c3;CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl","InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)","","2000-03-29","2011-06-04","{5-[(3,5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl}methyl carbamate",""],["S12","O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine","C24 H46 N O9 P","O=C(O)C(N)COP(=O)(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)O;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O","InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m0/s1","1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine","2012-03-29","2020-06-17","O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine","2012-09-07"],["0A5","4-bromobutanoic acid","C4 H7 Br O2","OC(=O)CCCBr;C(CC(=O)O)CBr","InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)","","2009-03-26","2011-08-06","4-bromobutanoic acid",""],["0A6","(3R)-4-ethoxy-3-hydroxy-4-oxobutanoic acid","C6 H10 O5","O=C(O)CC(O)C(=O)OCC;CCOC(=O)[CH](O)CC(O)=O;CCOC(=O)C(CC(=O)O)O","InChI=1S/C6H10O5/c1-2-11-6(10)4(7)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1","","2007-11-09","2011-06-04","(3R)-4-ethoxy-3-hydroxy-4-oxobutanoic acid",""],["S13","(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol","C15 H21 N O6","O1C(C(O)C(O)C(O)C13ONC(c2ccc(cc2)C)C3)CO;Cc1ccc(cc1)[CH]2C[C]3(ON2)O[CH](CO)[CH](O)[CH](O)[CH]3O;Cc1ccc(cc1)C2CC3(C(C(C(C(O3)CO)O)O)O)ON2","InChI=1S/C15H21NO6/c1-8-2-4-9(5-3-8)10-6-15(22-16-10)14(20)13(19)12(18)11(7-17)21-15/h2-5,10-14,16-20H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+/m0/s1","(1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]","2007-09-04","2021-03-13","(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",""],["0A7","2-(carboxymethyl)benzoic acid","C9 H8 O4","O=C(O)Cc1ccccc1C(=O)O;OC(=O)Cc1ccccc1C(O)=O;c1ccc(c(c1)CC(=O)O)C(=O)O","InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)","","2007-11-09","2011-06-04","2-(carboxymethyl)benzoic acid",""],["S14","6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM","C22 H25 F N6 O2","FC4CCN(C(=O)C(N)C(C(=O)N(C)C)c3ccc(c1ccc2ncnn2c1)cc3)C4;CN(C)C(=O)[CH]([CH](N)C(=O)N1CC[CH](F)C1)c2ccc(cc2)c3ccc4ncnn4c3;CN(C)C(=O)C(c1ccc(cc1)c2ccc3ncnn3c2)C(C(=O)N4CCC(C4)F)N","InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1","","2006-01-26","2011-06-04","(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]pyridin-6-ylphenyl)butanamide",""],["0A8","S-[(2-chloroethyl)carbamoyl]-L-cysteine","C6 H11 Cl N2 O3 S","O=C(O)C(N)CSC(=O)NCCCl;N[CH](CSC(=O)NCCCl)C(O)=O;C(CCl)NC(=O)SCC(C(=O)O)N","InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1","","2007-11-09","2024-09-27","S-[(2-chloroethyl)carbamoyl]-L-cysteine",""],["S16","3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid","C14 H11 Cl N2 O3","OC(c1cc(ccc1)NC(Nc2ccc(Cl)cc2)=O)=O;OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1;c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O","InChI=1S/C14H11ClN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)","","2016-02-18","2016-08-12","3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid","2016-08-17"],["0A9","methyl L-phenylalaninate","C10 H13 N O2","O=C(OC)C(N)Cc1ccccc1;COC(=O)[CH](N)Cc1ccccc1;COC(=O)C(Cc1ccccc1)N","InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1","","2007-11-09","2024-09-27","methyl L-phenylalaninate",""],["S17","methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate","C18 H25 Br N2 O5","Brc1ccc(cc1)CC(C(=O)OC)NC(=O)CCCCCCC(=O)NO;COC(=O)[CH](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO;COC(=O)C(Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO","InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1","","2007-09-24","2011-06-04","methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate",""],["S18","[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper","C26 H37 Cu N9 O2 S","[Cu]N=[N+]=[NH-].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Cu.HN3/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;;1-3-2/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);;1H/q;+1;-1/t22-,23-,25-;;/m0../s1","","2017-05-02","2018-04-13","","2018-04-18"],["0AA","methyl L-valinate","C6 H13 N O2","O=C(OC)C(N)C(C)C;COC(=O)[CH](N)C(C)C;CC(C)C(C(=O)OC)N","InChI=1/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1","","2007-11-09","2009-01-07","methyl L-valinate",""],["0AB","(3S,4S)-3-amino-4-methyl-3,4-dihydro-2H-pyran-2-one","C6 H9 N O2","O=C1OC=CC(C)C1N;C[CH]1C=COC(=O)[CH]1N;CC1C=COC(=O)C1N","InChI=1S/C6H9NO2/c1-4-2-3-9-6(8)5(4)7/h2-5H,7H2,1H3/t4-,5-/m0/s1","","2007-11-10","2011-06-04","(3S,4S)-3-amino-4-methyl-3,4-dihydro-2H-pyran-2-one",""],["S19","2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide","C17 H22 N6 O2","O=C(N)c1c(nc(nc1)NC2CCOCC2N)Nc3ccc(cc3)C;Cc1ccc(Nc2nc(N[CH]3CCOC[CH]3N)ncc2C(N)=O)cc1;Cc1ccc(cc1)Nc2c(cnc(n2)NC3CCOCC3N)C(=O)N","InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1","GSK143","2011-07-12","2020-06-17","2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide",""],["0AC","(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid","C12 H17 N O3","O=C(O)CCC(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)[CH](O)CCC(O)=O;c1ccc(cc1)CC(C(CCC(=O)O)O)N","InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1","","2007-11-10","2015-02-18","(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid",""],["S1A","SORAPHEN A","C29 H44 O8","O=C3OC(c1ccccc1)CCCCC(OC)C(OC)C=CC(C2OC(O)(C(OC)C(O)C2C)C3C)C;CO[CH]1CCCC[CH](OC(=O)[CH](C)[C]2(O)O[CH]([CH](C)C=C[CH]1OC)[CH](C)[CH](O)[CH]2OC)c3ccccc3;CC1C=CC(C(CCCCC(OC(=O)C(C2(C(C(C(C1O2)C)O)OC)O)C)c3ccccc3)OC)OC","InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1","","2004-10-06","2011-06-04","(1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name)",""],["S1B","4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one","C15 H19 B N2 O4","CN1CCN(C(=O)c2ccc3COB(O)c3c2)C(C)(C)C1=O;B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O","InChI=1S/C15H19BN2O4/c1-15(2)14(20)17(3)6-7-18(15)13(19)10-4-5-11-9-22-16(21)12(11)8-10/h4-5,8,21H,6-7,9H2,1-3H3","1,3,3-trimethyl-4-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one;  4-(1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one","2020-11-04","2024-09-27","1,3,3-trimethyl-4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one","2021-08-11"],["0AD","2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate)","C13 H20 N5 O7 P","O=C1c2ncn(c2N=C(NCCC)N1)C3OC(C(O)C3)COP(=O)(O)O;CCCNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCCNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1","InChI=1S/C13H20N5O7P/c1-2-3-14-13-16-11-10(12(20)17-13)15-6-18(11)9-4-7(19)8(25-9)5-24-26(21,22)23/h6-9,19H,2-5H2,1H3,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1","","2007-11-10","2024-09-27","2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate)",""],["0AE","(3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol","C37 H47 N6 O","CC(C)[CH]1[NH+](Cc2ccc3c(NC[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)cccc3c2)CC17CCC7;CC(C)C1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NCC5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O","InChI=1S/C37H46N6O/c1-27(2)35-36(15-7-16-36)24-43(35)22-29-13-14-31-30(19-29)11-6-12-32(31)39-23-37(44)17-8-18-42(25-37)34-20-33(40-26-41-34)38-21-28-9-4-3-5-10-28/h3-6,9-14,19-20,26-27,35,39,44H,7-8,15-18,21-25H2,1-2H3,(H,38,40,41)/p+1/t35-,37+/m0/s1","","2021-06-03","2021-10-15","(3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol","2021-10-20"],["S1C","3-(4-acetamidophenyl)benzoic acid","C15 H13 N O3","CC(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O;CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O","InChI=1S/C15H13NO3/c1-10(17)16-14-7-5-11(6-8-14)12-3-2-4-13(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)","","2017-07-27","2018-01-05","3-(4-acetamidophenyl)benzoic acid","2018-01-10"],["0AF","7-hydroxy-L-tryptophan","C11 H12 N2 O3","O=C(O)C(N)Cc2c1cccc(O)c1nc2;N[CH](Cc1c[nH]c2c(O)cccc12)C(O)=O;c1cc2c(c[nH]c2c(c1)O)CC(C(=O)O)N","InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1","","2007-11-11","2024-09-27","7-hydroxy-L-tryptophan",""],["S1D","3-(4-fluorophenyl)benzoic acid","C13 H9 F O2","OC(=O)c1cccc(c1)c2ccc(F)cc2;c1cc(cc(c1)C(=O)O)c2ccc(cc2)F","InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)","","2017-07-27","2018-01-05","3-(4-fluorophenyl)benzoic acid","2018-01-10"],["0AG","N-(ethoxycarbonyl)-L-leucine","C9 H17 N O4","O=C(OCC)NC(C(=O)O)CC(C)C;CCOC(=O)N[CH](CC(C)C)C(O)=O;CCOC(=O)NC(CC(C)C)C(=O)O","InChI=1S/C9H17NO4/c1-4-14-9(13)10-7(8(11)12)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)/t7-/m0/s1","","2007-11-11","2011-06-04","N-(ethoxycarbonyl)-L-leucine",""],["S1E","N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide","C22 H20 B N O3","OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)Cc4ccccc4;B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O","InChI=1S/C22H20BNO3/c25-22(19-11-12-20-16-27-23(26)21(20)13-19)24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2","1-oxidanyl-N,N-bis(phenylmethyl)-3H-2,1-benzoxaborole-6-carboxamide","2020-11-05","2024-09-27","1-oxidanyl-~{N},~{N}-bis(phenylmethyl)-3~{H}-2,1-benzoxaborole-6-carboxamide","2021-08-11"],["0AH","O-(bromoacetyl)-L-serine","C5 H8 Br N O4","BrCC(=O)OCC(C(=O)O)N;N[CH](COC(=O)CBr)C(O)=O;C(C(C(=O)O)N)OC(=O)CBr","InChI=1S/C5H8BrNO4/c6-1-4(8)11-2-3(7)5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1","","2007-11-11","2024-09-27","O-(bromoacetyl)-L-serine",""],["S1F","(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C19 H18 N2 O5","O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O;COC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O;COC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O","InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1","","2022-06-23","2022-07-08","(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["0AI","methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosiduronic acid","C9 H15 N O7","O=C(O)C1OC(OC)C(NC(=O)C)C(O)C1O;CO[CH]1O[CH]([CH](O)[CH](O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C(C(OC1OC)C(=O)O)O)O","InChI=1S/C9H15NO7/c1-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16-2/h4-7,9,12-13H,1-2H3,(H,10,11)(H,14,15)/t4-,5-,6-,7+,9+/m1/s1","","2007-11-11","2011-06-04","methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosiduronic acid",""],["S1G","4-[(phenylmethyl)amino]benzoic acid","C14 H13 N O2","OC(=O)c1ccc(NCc2ccccc2)cc1;c1ccc(cc1)CNc2ccc(cc2)C(=O)O","InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)","","2020-03-03","2020-06-26","4-[(phenylmethyl)amino]benzoic acid","2020-07-01"],["0AJ","(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane","C5 H12 S2","S(C)C(SCC)C;CCS[CH](C)SC;CCSC(C)SC","InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","","2007-11-11","2011-06-04","(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane",""],["S1H","1-HEXADECANOSULFONYL-O-L-SERINE","C19 H39 N O5 S","O=S(=O)(OCC(N)C(=O)O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC[S](=O)(=O)OC[CH](N)C(O)=O;CCCCCCCCCCCCCCCCS(=O)(=O)OCC(C(=O)O)N","InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1","","2000-10-04","2024-09-27","O-(hexadecylsulfonyl)-L-serine",""],["0AK","(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid","C6 H10 Cl N O4","O=C(OCCCl)CC(N)C(=O)O;N[CH](CC(=O)OCCCl)C(O)=O;C(CCl)OC(=O)CC(C(=O)O)N","InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1","","2007-11-11","2024-09-27","(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid (non-preferred name)",""],["S1I","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide","C24 H23 F2 N3 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC(F)(F)CC3)Oc4ccccc4)c2;c1ccc(cc1)OC2(CCC(CC2)(F)F)C(=O)Nc3cccc(c3)c4cc(sc4)C(=N)N","InChI=1S/C24H23F2N3O2S/c25-24(26)11-9-23(10-12-24,31-19-7-2-1-3-8-19)22(30)29-18-6-4-5-16(13-18)17-14-20(21(27)28)32-15-17/h1-8,13-15H,9-12H2,(H3,27,28)(H,29,30)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide","2023-08-02"],["0AL","4-O-phosphono-D-glycero-beta-D-manno-heptopyranose","C7 H15 O10 P","O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O;C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O","InChI=1/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1/f/h13-14H","","2007-11-11","2009-09-10","4-O-phosphono-D-glycero-beta-D-manno-heptopyranose",""],["S1J","3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid","C13 H13 N3 O2","Nc1cc(ccc1NCc2cccnc2)C(O)=O;c1cc(cnc1)CNc2ccc(cc2N)C(=O)O","InChI=1S/C13H13N3O2/c14-11-6-10(13(17)18)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)","","2020-03-03","2020-06-26","3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid","2020-07-01"],["0AM","2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)","C16 H26 N5 O6 P S2","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCCSSCCC)CC3O;CCCSSCCCNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CCCSSCCCNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1/C16H26N5O6PS2/c1-2-5-29-30-6-3-4-17-15-14-16(19-9-18-15)21(10-20-14)13-7-11(22)12(27-13)8-26-28(23,24)25/h9-13,22H,2-8H2,1H3,(H,17,18,19)(H2,23,24,25)/t11-,12+,13+/m0/s1/f/h17,23-24H","","2007-11-11","2009-08-25","2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)",""],["S1K","2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid","C16 H15 B O5","OB1O[CH](CC(O)=O)c2cc(OCc3ccccc3)ccc12;B1(c2ccc(cc2C(O1)CC(=O)O)OCc3ccccc3)O","InChI=1S/C16H15BO5/c18-16(19)9-15-13-8-12(6-7-14(13)17(20)22-15)21-10-11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,18,19)/t15-/m0/s1","2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid","2020-11-05","2024-09-27","2-[(3~{S})-1-oxidanyl-5-phenylmethoxy-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid","2021-08-11"],["S1L","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C31 H30 Cl N5 O3","Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc(ccc1)N1CCOCC1;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)Nc5cccc(c5)N6CCOCC6;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)Nc5cccc(c5)N6CCOCC6","InChI=1S/C31H30ClN5O3/c32-23-9-8-22-18-36(20-30(38)34-24-5-3-6-25(15-24)37-10-12-40-13-11-37)19-28(27(22)14-23)31(39)35-29-17-33-16-21-4-1-2-7-26(21)29/h1-9,14-17,28H,10-13,18-20H2,(H,34,38)(H,35,39)/t28-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["0AN","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C28 H26 Cl3 N3 O3 S","Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=Cc4ccccc4Cl)Cc5ccccn5;c1ccc(c(c1)C=CC2CN(C(=O)C3CCCC2N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)Cc5ccccn5)Cl","InChI=1S/C28H26Cl3N3O3S/c29-21-14-22(30)16-24(15-21)38(36,37)34-26-9-5-10-27(34)28(35)33(18-23-7-3-4-13-32-23)17-20(26)12-11-19-6-1-2-8-25(19)31/h1-4,6-8,11-16,20,26-27H,5,9-10,17-18H2/b12-11+/t20-,26+,27-/m0/s1","","2023-07-10","2023-08-04","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2023-08-09"],["0AO","(2S)-2-amino-3-naphthalen-1-ylpropanal","C13 H13 N O","O=CC(N)Cc2cccc1ccccc12;N[CH](Cc1cccc2ccccc12)C=O;c1ccc2c(c1)cccc2CC(C=O)N","InChI=1S/C13H13NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,12H,8,14H2/t12-/m0/s1","","2007-11-11","2011-06-04","(2S)-2-amino-3-naphthalen-1-ylpropanal",""],["S1M","methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate","C9 H14 N2 O4","COC(=O)C[CH]1N(CCNC1=O)C(C)=O;CC(=O)N1CCNC(=O)C1CC(=O)OC","InChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1","","2020-03-03","2020-06-26","methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate","2020-07-01"],["0AP","2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)","C9 H15 N3 O10 P2","O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O","InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(13)11-7)8-3-5(22-24(17,18)19)6(21-8)4-20-23(14,15)16/h1-2,5-6,8H,3-4H2,(H2,10,11,13)(H2,14,15,16)(H2,17,18,19)/t5-,6+,8+/m0/s1","","2007-11-11","2011-06-04","2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)",""],["S1N","(~{E})-4-methylnon-4-enedial","C10 H16 O2","CC(CCC=O)=CCCCC=O;CC(=CCCCC=O)CCC=O","InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+","","2020-11-05","2024-09-27","(~{E})-4-methylnon-4-enedial","2020-11-18"],["0AR","N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide","C8 H16 N4 O3","O=C(O)C(N)CCCNC(=[N@H])NC(=O)C;CC(=O)NC(=N)NCCC[CH](N)C(O)=O;CC(=O)NC(=N)NCCCC(C(=O)O)N","InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1","","2009-07-10","2024-09-27","N~5~-(N-acetylcarbamimidoyl)-L-ornithine",""],["S1O","{1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol","C14 H17 N7 O","OCc1cn(nn1)C1CN(CCC1)c1ncnc2[NH]ccc21;OCc1cn(nn1)[CH]2CCCN(C2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCCC(C3)n4cc(nn4)CO","InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m0/s1","","2022-06-23","2022-07-08","{1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol","2022-07-13"],["0AS","asiatic acid","C30 H48 O5","O=C(O)C54C(C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)CO)(C)C3(C)CC4)C(C)C(C)CC5;C[CH]1CC[C]2(CC[C]3(C)C(=CC[CH]4[C]5(C)C[CH](O)[CH](O)[C](C)(CO)[CH]5CC[C]34C)[CH]2[CH]1C)C(O)=O;CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O","InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1","(2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid","2007-08-06","2020-06-17","(2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid",""],["S1P","(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate","C18 H38 N O5 P","O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(O)O;CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(O)=O;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O","InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1","sphingosine 1-phosphate","2009-07-14","2020-06-17","(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate",""],["0AT","2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose","C8 H16 N O9 P","O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1/f/h9,14-15H","","2007-11-11","2008-10-14","2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose",""],["S1Q","(5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one","C19 H17 N3 O3","COc1cc(O)ccc1C=C2N=C(C=Cc3ccncc3)N(C)C2=O;CN1C(=NC(=Cc2ccc(cc2OC)O)C1=O)C=Cc3ccncc3","InChI=1S/C19H17N3O3/c1-22-18(6-3-13-7-9-20-10-8-13)21-16(19(22)24)11-14-4-5-15(23)12-17(14)25-2/h3-12,23H,1-2H3/b6-3+,16-11-","","2020-11-05","2021-04-23","(5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one","2021-04-28"],["S1R","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide","C23 H23 N3 O3 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccccc4)c2;c1ccc(cc1)OC2(CCOCC2)C(=O)Nc3cccc(c3)c4cc(sc4)C(=N)N","InChI=1S/C23H23N3O3S/c24-21(25)20-14-17(15-30-20)16-5-4-6-18(13-16)26-22(27)23(9-11-28-12-10-23)29-19-7-2-1-3-8-19/h1-8,13-15H,9-12H2,(H3,24,25)(H,26,27)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide","2023-08-02"],["0AU","5-iodouridine 5'-(dihydrogen phosphate)","C9 H12 I N2 O9 P","IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(I)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)I","InChI=1/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1/f/h11,17-18H","","2007-11-11","2009-01-07","5-iodouridine 5'-(dihydrogen phosphate)",""],["S1S","2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID","C41 H46 N4 O10","O=C(O)C(C(=O)O)c1ccc(cc1)C2C=CCC(CNC(=O)C(NC(=O)C3(NC(=O)C2CC(=O)O)CCCCC3)CC(=O)N)Cc5c4ccccc4ccc5;NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)[CH](CC(O)=O)[CH](C=CC[CH](CNC1=O)Cc3cccc4ccccc34)c5ccc(cc5)C(C(O)=O)C(O)=O;c1ccc2c(c1)cccc2CC3CC=CC(C(C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O","InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/b13-6+/t24-,30+,31-,32+/m0/s1","","2005-09-02","2011-06-04","{4-[(9S,10S,11E,14S,18R)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}propanedioic acid",""],["0AV","2'-O-methyladenosine 5'-(dihydrogen phosphate)","C11 H16 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OC)C3O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3c(N)ncnc23;COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O","InChI=1/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1/f/h18-19H,12H2","","2007-11-11","2009-01-07","2'-O-methyladenosine 5'-(dihydrogen phosphate)",""],["S1T","2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE","C15 H23 N3 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C;C[CH](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)c1Cc2cnc(C)nc2N;Cc1c(sc(c1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1","2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP","2007-06-18","2020-06-17","2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate",""],["0AW","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide","C21 H19 N3 O2 S","NC(=N)c1sc(CNC(=O)c2ccc3OCCc3c2)c(c1)c4ccccc4;c1ccc(cc1)c2cc(sc2CNC(=O)c3ccc4c(c3)CCO4)C(=N)N","InChI=1S/C21H19N3O2S/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-24-21(25)15-6-7-17-14(10-15)8-9-26-17/h1-7,10-11H,8-9,12H2,(H3,22,23)(H,24,25)","","2021-06-03","2022-06-03","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide","2022-06-08"],["0AX","N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","C34 H42 N4 O6","O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)C(C(CC2CCCNC2=O)NC(=O)C(CC3CCCCC3)NC(=O)c4cc5ccccc5o4)O","InChI=1S/C34H42N4O6/c39-30(34(43)36-21-23-12-5-2-6-13-23)26(19-25-15-9-17-35-31(25)40)37-32(41)27(18-22-10-3-1-4-11-22)38-33(42)29-20-24-14-7-8-16-28(24)44-29/h2,5-8,12-14,16,20,22,25-27,30,39H,1,3-4,9-11,15,17-19,21H2,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t25-,26-,27-,30+/m0/s1","","2022-09-29","2024-09-27","~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide","2023-09-27"],["S1U","(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C33 H35 Cl N6 O2","CCN1CCN(CC1)c1ccc(NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccccc32)cc1;CCN1CCN(CC1)c2ccc(NC(=O)CN3C[CH](C(=O)Nc4cncc5ccccc45)c6cc(Cl)ccc6C3)cc2;CCN1CCN(CC1)c2ccc(cc2)NC(=O)CN3Cc4ccc(cc4C(C3)C(=O)Nc5cncc6c5cccc6)Cl","InChI=1S/C33H35ClN6O2/c1-2-38-13-15-40(16-14-38)27-11-9-26(10-12-27)36-32(41)22-39-20-24-7-8-25(34)17-29(24)30(21-39)33(42)37-31-19-35-18-23-5-3-4-6-28(23)31/h3-12,17-19,30H,2,13-16,20-22H2,1H3,(H,36,41)(H,37,42)/t30-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["0AY","diethyl [(1R)-1,5-diaminopentyl]boronate","C9 H23 B N2 O2","O(B(OCC)C(N)CCCCN)CC;CCOB(OCC)[CH](N)CCCCN;B(C(CCCCN)N)(OCC)OCC","InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1","","2007-11-09","2011-06-04","diethyl [(1R)-1,5-diaminopentyl]boronate",""],["S1V","1-ethanoylpiperidine-4-carbonitrile","C8 H12 N2 O","CC(=O)N1CCC(CC1)C#N;CC(=O)N1CCC(CC1)C#N","InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3","","2020-03-03","2020-06-26","1-ethanoylpiperidine-4-carbonitrile","2020-07-01"],["0AZ","(4R)-4-hydroxy-D-proline","C5 H9 N O3","O=C(O)C1NCC(O)C1;O[CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)O","InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1","","1999-07-08","2013-01-24","(4R)-4-hydroxy-D-proline",""],["S1W","3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol","C18 H18 N4 O2","CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1;CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O","InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21)","","2020-11-06","2020-11-27","3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol","2020-12-02"],["0B0","(3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one","C22 H26 N6 O","O=C1C(CCCN1C1CN(CCC1)c1ncnc2[NH]ccc21)Nc1ccccc1;O=C1[CH](CCCN1[CH]2CCCN(C2)c3ncnc4[nH]ccc34)Nc5ccccc5;c1ccc(cc1)NC2CCCN(C2=O)C3CCCN(C3)c4c5cc[nH]c5ncn4","InChI=1S/C22H26N6O/c29-22-19(26-16-6-2-1-3-7-16)9-5-13-28(22)17-8-4-12-27(14-17)21-18-10-11-23-20(18)24-15-25-21/h1-3,6-7,10-11,15,17,19,26H,4-5,8-9,12-14H2,(H,23,24,25)/t17-,19-/m1/s1","","2021-06-07","2022-05-13","(3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one","2022-05-18"],["S1X","(1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H20 N2 O4","O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1;OC(=O)[CH]1Cc2ccccc2[CH]1NC(=O)c3ccc(NC(=O)C4CC4)cc3;c1ccc2c(c1)CC(C2NC(=O)c3ccc(cc3)NC(=O)C4CC4)C(=O)O","InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m0/s1","","2022-06-23","2022-07-08","(1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["S1Y","[(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid","C14 H27 N5 O5 S","O=S(=O)(O)NC2C(C=O)N(C(=O)NC1CCCN(CCN)CC1)CC2;NCCN1CCC[CH](CC1)NC(=O)N2CC[CH](N[S](O)(=O)=O)[CH]2C=O;C1CC(CCN(C1)CCN)NC(=O)N2CCC(C2C=O)NS(=O)(=O)O","InChI=1S/C14H27N5O5S/c15-5-9-18-6-1-2-11(3-7-18)16-14(21)19-8-4-12(13(19)10-20)17-25(22,23)24/h10-13,17H,1-9,15H2,(H,16,21)(H,22,23,24)/t11-,12+,13+/m0/s1","","2011-05-17","2024-09-27","[(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid",""],["0B1","2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one","C21 H21 N3 O2","O=C1C=C(N=C(N)N1C)C4CC4c3cccc(c2cccc(OC)c2)c3;COc1cccc(c1)c2cccc(c2)[CH]3C[CH]3C4=CC(=O)N(C)C(=N4)N;CN1C(=O)C=C(N=C1N)C2CC2c3cccc(c3)c4cccc(c4)OC","InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1","","2012-07-26","2020-06-01","2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one","2012-10-19"],["0B2","(2S,4R)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one","C12 H23 N O2","O=C(C(N)CC1CCCCC1)C(C)CO;C[CH](CO)C(=O)[CH](N)CC1CCCCC1;CC(CO)C(=O)C(CC1CCCCC1)N","InChI=1S/C12H23NO2/c1-9(8-14)12(15)11(13)7-10-5-3-2-4-6-10/h9-11,14H,2-8,13H2,1H3/t9-,11+/m1/s1","","2014-07-07","2014-07-21","(2S,4R)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one",""],["S1Z","(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol","C17 H18 N6 O","CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3;CCC(CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4","InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1","","2020-11-06","2020-11-13","(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol","2020-11-18"],["0B3","(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one","C14 H19 N3 O","O=C2N(C(=NC(CCc1ccccc1)(C2)C)N)C;CN1C(=O)C[C](C)(CCc2ccccc2)N=C1N;CC1(CC(=O)N(C(=N1)N)C)CCc2ccccc2","InChI=1S/C14H19N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7H,8-10H2,1-2H3,(H2,15,16)/t14-/m1/s1","","2013-05-23","2013-09-27","(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one","2013-10-02"],["S20","(1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol","C22 H26 N4 O","n1c(N)cc(cc1CCc2cccc(c2)C(O)Cc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cccc(c2)[CH](O)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)O","InChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26)/t20-/m0/s1","","2014-03-17","2014-05-02","(1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol","2014-05-07"],["0B4","(6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one","C15 H19 N3 O","O=C3N(C(=NC(C2CC2c1ccccc1)(C3)C)N)C;CN1C(=O)C[C](C)(N=C1N)[CH]2C[CH]2c3ccccc3;CC1(CC(=O)N(C(=N1)N)C)C2CC2c3ccccc3","InChI=1S/C15H19N3O/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17)/t11-,12+,15-/m0/s1","","2013-05-28","2013-09-27","(6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one","2013-10-02"],["S21","4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione","C10 H6 F3 N O4","O=[N+]([O-])c1ccc(C(=O)CC(=O)C(F)(F)F)cc1;[O-][N+](=O)c1ccc(cc1)C(=O)CC(=O)C(F)(F)F;c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-]","InChI=1S/C10H6F3NO4/c11-10(12,13)9(16)5-8(15)6-1-3-7(4-2-6)14(17)18/h1-4H,5H2","","2010-04-30","2012-02-24","4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione",""],["0B5","~{N}-[3-[(4~{R},5~{R},6~{S})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","C19 H18 F5 N5 O3","CC(F)(F)[CH]1OC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N;CC1(C(C(OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF","InChI=1S/C19H18F5N5O3/c1-18(14(22)15(19(2,23)24)32-17(25)29-18)10-5-9(3-4-11(10)21)28-16(30)12-6-27-13(7-26-12)31-8-20/h3-7,14-15H,8H2,1-2H3,(H2,25,29)(H,28,30)/t14-,15-,18+/m0/s1","","2017-09-28","2018-08-03","~{N}-[3-[(4~{R},5~{R},6~{S})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","2018-08-08"],["S22","1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol","C28 H33 N5 O4 S","O=S(=O)(c1ccccc1Nc2cc(nc3c2ccn3)Nc4c(OC)cc(cc4)N5CCC(O)CC5)C(C)C;COc1cc(ccc1Nc2cc(Nc3ccccc3[S](=O)(=O)C(C)C)c4cc[nH]c4n2)N5CCC(O)CC5;CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O","InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)","","2009-03-04","2011-06-04","1-(3-methoxy-4-{[4-({2-[(1-methylethyl)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}phenyl)piperidin-4-ol",""],["0B6","~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","C19 H15 F2 N5 O2","C[C]1(C=C(CF)OC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1","","2017-09-28","2018-05-18","~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide","2018-05-23"],["S23","N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine","C21 H27 N2 O5 P","O=P(O)(C(N)C)CC(C(=O)NC(C(=O)O)Cc1ccccc1)Cc2ccccc2;C[CH](N)[P](O)(=O)C[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(O)=O;CC(N)P(=O)(CC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)O)O","InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,18-,19+/m1/s1","","2008-12-25","2011-06-04","N-{(2S)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine",""],["S24","S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate","C7 H6 O4 S","O=C(Sc1ccc(O)cc1O)O;OC(=O)Sc1ccc(O)cc1O;c1cc(c(cc1O)O)SC(=O)O","InChI=1S/C7H6O4S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,8-9H,(H,10,11)","","2007-12-20","2011-06-04","S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate",""],["0B7","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide","C21 H18 N4 O S","NC(=N)c1sc(CNC(=O)c2ccc3cc[nH]c3c2)c(c1)c4ccccc4;c1ccc(cc1)c2cc(sc2CNC(=O)c3ccc4cc[nH]c4c3)C(=N)N","InChI=1S/C21H18N4OS/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-25-21(26)15-7-6-14-8-9-24-17(14)10-15/h1-11,24H,12H2,(H3,22,23)(H,25,26)","","2021-06-03","2022-06-17","~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide","2022-06-22"],["0B8","2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate","C37 H30 N2 O8","CN1C(=O)N(CC(=O)OCCOc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC(=O)OCCOc3ccc4ccc5cccc6c5c4c3cc6)C(=O)C7=C(CCCC7=O)O","InChI=1S/C37H30N2O8/c1-20-24(35(43)34-27(40)7-4-8-28(34)41)14-15-26-31(20)36(44)39(37(45)38(26)2)19-30(42)47-18-17-46-29-16-12-23-10-9-21-5-3-6-22-11-13-25(29)33(23)32(21)22/h3,5-6,9-16,40H,4,7-8,17-19H2,1-2H3","","2022-01-20","2022-09-16","2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate","2022-09-21"],["S25","N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide","C20 H23 N7 O2 S","O=C(NCCN)c4cc(c1sc(nc1)Nc3nccc(N2CCOCC2)c3)cnc4;NCCNC(=O)c1cncc(c1)c2sc(Nc3cc(ccn3)N4CCOCC4)nc2;c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN","InChI=1S/C20H23N7O2S/c21-2-4-24-19(28)15-9-14(11-22-12-15)17-13-25-20(30-17)26-18-10-16(1-3-23-18)27-5-7-29-8-6-27/h1,3,9-13H,2,4-8,21H2,(H,24,28)(H,23,25,26)","","2011-10-03","2012-04-06","N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide",""],["0B9","(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide","C22 H24 Cl F N6 O","Fc1cc(cc(Cl)c1)NC(C1CC1)C(=O)NC1CCCN(C1)c1ncnc2[NH]ccc12;Fc1cc(Cl)cc(N[CH](C2CC2)C(=O)N[CH]3CCCN(C3)c4ncnc5[nH]ccc45)c1;c1c[nH]c2c1c(ncn2)N3CCCC(C3)NC(=O)C(C4CC4)Nc5cc(cc(c5)Cl)F","InChI=1S/C22H24ClFN6O/c23-14-8-15(24)10-17(9-14)28-19(13-3-4-13)22(31)29-16-2-1-7-30(11-16)21-18-5-6-25-20(18)26-12-27-21/h5-6,8-10,12-13,16,19,28H,1-4,7,11H2,(H,29,31)(H,25,26,27)/t16-,19-/m1/s1","","2021-06-07","2022-05-13","(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide","2022-05-18"],["S26","ethyl\n(2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate","C18 H13 Cl N2 O4 S2","CCOC(=O)C1=C(O)C(=O)N([CH]1c2sccc2)c3sc4cc(Cl)ccc4n3;CCOC(=O)C1=C(C(=O)N(C1c2cccs2)c3nc4ccc(cc4s3)Cl)O","InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3/t14-/m1/s1","PS267","2016-12-22","2020-06-17","ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate","2017-01-18"],["0BA","2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide","C29 H38 N6 O3","CC(C)[CH]1N(Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4ncnc5[nH]ccc45)CC16CCC6;CC(C)C1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NCC4(CCCN(C4)c5c6cc[nH]c6ncn5)O","InChI=1S/C29H38N6O3/c1-19(2)24-28(8-3-9-28)16-35(24)14-20-5-6-21(23(36)13-20)27(37)31-15-29(38)10-4-12-34(17-29)26-22-7-11-30-25(22)32-18-33-26/h5-7,11,13,18-19,24,36,38H,3-4,8-10,12,14-17H2,1-2H3,(H,31,37)(H,30,32,33)/t24-,29+/m0/s1","","2021-06-03","2021-10-15","2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide","2021-10-20"],["S27","N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID","C20 H27 N2 O3 P","O=C(NO)C(N(P(=O)(c1ccccc1)C)Cc2ccccc2)CC(C)C;CC(C)C[CH](N(Cc1ccccc1)[P](C)(=O)c2ccccc2)C(=O)NO;CC(C)CC(C(=O)NO)N(Cc1ccccc1)P(=O)(C)c2ccccc2","InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1","","1999-07-08","2011-06-04","N~2~-benzyl-N-hydroxy-N~2~-[(R)-methyl(phenyl)phosphoryl]-D-leucinamide",""],["0BB","4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid","C21 H20 N2 O3 S","O=C(O)CCCN2c1ccccc1N(C2=O)Cc3c4c(cccc4sc3)C;Cc1cccc2scc(CN3C(=O)N(CCCC(O)=O)c4ccccc34)c12;Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O","InChI=1S/C21H20N2O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22(21(23)26)11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)","","2011-05-23","2011-07-15","4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid",""],["S28","N-(benzylsulfonyl)glycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C22 H27 N5 O4 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNS(=O)(=O)Cc2ccccc2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3)cc1;c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C22H27N5O4S/c23-21(24)18-10-8-16(9-11-18)13-25-22(29)19-7-4-12-27(19)20(28)14-26-32(30,31)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,26H,4,7,12-15H2,(H3,23,24)(H,25,29)/t19-/m0/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)glycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["0BC","~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide","C21 H18 N6 O3 S","CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(C)=O;CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C","InChI=1S/C21H18N6O3S/c1-3-30-19-5-4-13(12(2)28)9-17(19)23-21(29)16-7-14(18-10-31-11-22-18)6-15(8-16)20-24-26-27-25-20/h4-11H,3H2,1-2H3,(H,23,29)(H,24,25,26,27)","","2016-12-16","2018-01-12","~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide","2018-01-17"],["S29","N-(benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C23 H29 N5 O4 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)C)CCC3;C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CC(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3","InChI=1S/C23H29N5O4S/c1-16(27-33(31,32)15-18-6-3-2-4-7-18)23(30)28-13-5-8-20(28)22(29)26-14-17-9-11-19(12-10-17)21(24)25/h2-4,6-7,9-12,16,20,27H,5,8,13-15H2,1H3,(H3,24,25)(H,26,29)/t16-,20+/m1/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["0BD","3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside","C21 H40 O11","CC(C)CC(CC(C)C)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CC(C)CC(CC(C)C)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C21H40O11/c1-9(2)5-11(6-10(3)4)29-20-18(28)16(26)19(13(8-23)31-20)32-21-17(27)15(25)14(24)12(7-22)30-21/h9-28H,5-8H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1","2,6-dimethyl-4-heptyl 4-O-methyl-beta-D-glucopyranoside","2009-01-20","2020-06-17","(2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-(2,6-dimethylheptan-4-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",""],["S2A","(1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE","C33 H33 N O6","O=C7C=Cc1ccc(OC)cc1C76C=CC5C(OC2OC(C(O)C(O)C2NC)C)c4cc3ccccc3cc4C56;CN[CH]1[CH](O)[CH](O)[CH](C)O[CH]1O[CH]2[CH]3C=C[C]4([CH]3c5cc6ccccc6cc25)C(=O)C=Cc7ccc(OC)cc47;CC1C(C(C(C(O1)OC2c3cc4ccccc4cc3C5C2C=CC56c7cc(ccc7C=CC6=O)OC)NC)O)O","InChI=1S/C33H33NO6/c1-17-29(36)30(37)28(34-2)32(39-17)40-31-22-12-13-33(25-16-21(38-3)10-8-18(25)9-11-26(33)35)27(22)23-14-19-6-4-5-7-20(19)15-24(23)31/h4-17,22,27-32,34,36-37H,1-3H3/t17-,22-,27+,28-,29+,30-,31+,32-,33-/m1/s1","SPIROCYCLIC ALKENE","2007-01-10","2021-03-01","(1R,3a'S,10'S,10a'R)-7-methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside",""],["0BE","BERYLLIUM","Be","[Be+2];[Be++];[Be+2]","InChI=1S/Be/q+2","","2014-03-28","2014-07-11","beryllium","2014-07-16"],["S2B","3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one","C16 H12 B2 O8","O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12;[B-]1(c2ccc(cc2C(=O)O1)C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O","InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+","","2019-08-20","2024-09-27","3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one","2021-01-27"],["S2C","S-2-(BORONOETHYL)-L-CYSTEINE","C5 H13 B N O5 S","O=C(O)C(N)CSCC[B-](O)(O)O;N[CH](CSCC[B-](O)(O)O)C(O)=O;[B-](CCSCC(C(=O)O)N)(O)(O)O","InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1","","2000-12-18","2011-06-04","(2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}ethyl)(trihydroxy)borate(1-)",""],["0BF","8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one","C24 H23 Cl N2 O3 S","ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4cccc5ccccc45;c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl","InChI=1S/C24H23ClN2O3S/c25-14-22(28)26-12-10-24(11-13-26)27(23(29)16-31-24)15-18-8-9-21(30-18)20-7-3-5-17-4-1-2-6-19(17)20/h1-9H,10-16H2","","2021-06-08","2024-09-27","8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one","2022-02-16"],["0BG","N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide","C17 H20 N6 O","O=C(CNc1ccccc1)NCCN(C)c1ncnc2[NH]ccc21;CN(CCNC(=O)CNc1ccccc1)c2ncnc3[nH]ccc23;CN(CCNC(=O)CNc1ccccc1)c2c3cc[nH]c3ncn2","InChI=1S/C17H20N6O/c1-23(17-14-7-8-19-16(14)21-12-22-17)10-9-18-15(24)11-20-13-5-3-2-4-6-13/h2-8,12,20H,9-11H2,1H3,(H,18,24)(H,19,21,22)","","2021-06-07","2022-05-13","N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide","2022-05-18"],["S2D","N-BENZOYL-D-ALANINE","C10 H11 N O3","O=C(NC(C(=O)O)C)c1ccccc1;C[CH](NC(=O)c1ccccc1)C(O)=O;CC(C(=O)O)NC(=O)c1ccccc1","InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1","","2006-12-23","2024-09-27","N-benzoyl-D-alanine",""],["0BH","N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide","C36 H44 N6 O3 S","CC(C)[CH]1N(Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5cccc6sccc56)ncn4)CC17CCC7;CC(C)C1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NCC4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O","InChI=1S/C36H44N6O3S/c1-24(2)33-35(11-4-12-35)21-42(33)19-25-8-9-28(29(43)16-25)34(44)38-20-36(45)13-5-14-41(22-36)32-17-31(39-23-40-32)37-18-26-6-3-7-30-27(26)10-15-46-30/h3,6-10,15-17,23-24,33,43,45H,4-5,11-14,18-22H2,1-2H3,(H,38,44)(H,37,39,40)/t33-,36+/m0/s1","","2021-06-03","2021-10-15","~{N}-[[(3~{R})-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide","2021-10-20"],["S2E","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide","C23 H22 Cl N3 O3 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCOCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C23H22ClN3O3S/c24-17-4-6-19(7-5-17)30-23(8-10-29-11-9-23)22(28)27-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14H,8-11H2,(H3,25,26)(H,27,28)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide","2023-08-02"],["S2F","(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid","C22 H28 F2 O5","O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)[CH]1CC=CCCCC(O)=O;c1ccc(cc1)OCC(C=CC2C(CC(C2CC=CCCCC(=O)O)O)O)(F)F","InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1","Tafluprost acid","2023-04-08","2023-07-07","(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid","2023-07-12"],["0BI","(4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric\nyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one","C35 H45 N3 O4","COCc1cc2NCCCCOc3cccc(C[CH](NC(=O)c(c1)c2)[CH](O)CNC4(CC4)c5cccc(c5)C(C)C)c3;CC(C)c1cccc(c1)C2(CC2)NCC(C3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O","InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1","(S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11-oxa\n3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6,8,10(22),17 ,19-hexaen-2-one","2009-11-18","2020-06-17","",""],["S2G","(2S)-2-HYDROXYPENTANEDIOIC ACID","C5 H8 O5","O=C(O)C(O)CCC(=O)O;O[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)O","InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1","","2011-03-10","2011-06-04","(2S)-2-hydroxypentanedioic acid",""],["0BJ","methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate","C16 H14 O6","COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O;Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC","InChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3","","2021-06-08","2022-04-15","methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate","2022-04-20"],["S2H","Hydrogen disulfide","H2 S2","SS;SS","InChI=1S/H2S2/c1-2/h1-2H","","2011-08-05","2024-09-27","",""],["0BK","N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide","C20 H23 F2 N5 O4 S","FCC1(CCC(C)(C(N)=N1)S(C)(=O)=O)c1cc(NC(=O)c2cc(OC)ncn2)ccc1F;COc1cc(ncn1)C(=O)Nc2ccc(F)c(c2)[C]3(CF)CC[C](C)(C(=N3)N)[S](C)(=O)=O;CC1(CCC(N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C","InChI=1S/C20H23F2N5O4S/c1-19(32(3,29)30)6-7-20(10-21,27-18(19)23)13-8-12(4-5-14(13)22)26-17(28)15-9-16(31-2)25-11-24-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,23,27)(H,26,28)/t19-,20-/m1/s1","","2021-06-07","2021-10-01","N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide","2021-10-06"],["0BL","(2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide","C22 H21 N3 O2 S","C[CH]1[CH](Oc2ccccc12)C(=O)NCc3sc(cc3c4ccccc4)C(N)=N;CC1c2ccccc2OC1C(=O)NCc3c(cc(s3)C(=N)N)c4ccccc4","InChI=1S/C22H21N3O2S/c1-13-15-9-5-6-10-17(15)27-20(13)22(26)25-12-19-16(11-18(28-19)21(23)24)14-7-3-2-4-8-14/h2-11,13,20H,12H2,1H3,(H3,23,24)(H,25,26)/t13-,20-/m0/s1","","2021-06-04","2022-06-17","(2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide","2022-06-22"],["S2I","3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol","C22 H25 N5 O","OCCCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3;c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO","InChI=1S/C22H25N5O/c28-15-5-12-24-20-16-21(26-22(25-20)19-8-3-4-11-23-19)27-13-9-17-6-1-2-7-18(17)10-14-27/h1-4,6-8,11,16,28H,5,9-10,12-15H2,(H,24,25,26)","","2015-05-01","2015-06-12","3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol","2015-06-17"],["0BM","N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide","C22 H34 N6 O4 S","O=C(NCC1CCN(C(=[N@H])N)CC1)C3N(C(=O)C(NS(=O)(=O)C)Cc2ccccc2)CCC3;C[S](=O)(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCC3CCN(CC3)C(N)=N;CS(=O)(=O)NC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)C(=N)N","InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)/t18-,19+/m1/s1","","2011-09-30","2011-10-07","N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide",""],["S2J","methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate","C10 H17 N3 O4","CCNC(=O)N1CCNC(=O)[CH]1CC(=O)OC;CCNC(=O)N1CCNC(=O)C1CC(=O)OC","InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1","","2020-03-03","2020-06-26","methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate","2020-07-01"],["S2K","(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid","C12 H21 N3 O7","N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(C(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1","","2020-11-06","2024-09-27","(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid","2021-10-06"],["0BN","4-carbamimidoyl-L-phenylalanine","C10 H13 N3 O2","O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N;N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(=N)N","InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1","","2010-09-25","2024-09-27","4-carbamimidoyl-L-phenylalanine",""],["0BO","N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide","C30 H40 N4 O6","O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5;c1ccc2c(c1)cc(o2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCCNC4=O)C(C(=O)NC5CC5)O","InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26+/m0/s1","","2022-09-29","2024-09-27","~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide","2023-09-27"],["S2L","5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol","C14 H11 Cl O3","c1c(cc(cc1O)[C@H]=Cc2c(cc(cc2)O)Cl)O;Oc1ccc(C=Cc2cc(O)cc(O)c2)c(Cl)c1;c1cc(c(cc1O)Cl)C=Cc2cc(cc(c2)O)O","InChI=1S/C14H11ClO3/c15-14-8-11(16)4-3-10(14)2-1-9-5-12(17)7-13(18)6-9/h1-8,16-18H/b2-1+","","2016-12-06","2017-09-22","5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol","2017-09-27"],["0BP","2,2'-bipyridine","C10 H8 N2","n2c(c1ccccn1)cccc2;c1ccc(nc1)c2ccccn2;c1ccnc(c1)c2ccccn2","InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H","","2017-04-25","2017-04-28","2,2'-bipyridine","2017-05-03"],["S2M","2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE","C13 H21 N2 O9 P S","O=C1NC(=S)N(C=C1C)C2OC(C(O)C2OCCOC)COP(=O)(O)O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=S;CC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOC","InChI=1S/C13H21N2O9PS/c1-7-5-15(13(26)14-11(7)17)12-10(22-4-3-21-2)9(16)8(24-12)6-23-25(18,19)20/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,26)(H2,18,19,20)/t8-,9-,10-,12-/m1/s1","","2005-09-16","2011-06-04","1-[2-O-(2-methoxyethyl)-5-O-phosphono-beta-D-ribofuranosyl]-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",""],["0BQ","5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C9 H7 N5 O","O=C1NC(=NN1)c1[NH]c2ccccc2n1;O=C1NN=C(N1)c2[nH]c3ccccc3n2;c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3","InChI=1S/C9H7N5O/c15-9-12-8(13-14-9)7-10-5-3-1-2-4-6(5)11-7/h1-4H,(H,10,11)(H2,12,13,14,15)","","2021-06-07","2021-09-03","5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","2021-09-08"],["S2N","S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate","C24 H47 N2 O9 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OC)CC(O)CCCCCCCCC;CCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)OC;CCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OC)O)O","InChI=1S/C24H47N2O9PS/c1-5-6-7-8-9-10-11-12-19(27)17-21(29)37-16-15-25-20(28)13-14-26-23(31)22(30)24(2,3)18-35-36(32,33)34-4/h19,22,27,30H,5-18H2,1-4H3,(H,25,28)(H,26,31)(H,32,33)/t19-,22+/m1/s1","","2009-07-07","2011-06-04","S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate",""],["S2O","4-(2-hydroxyethyl)benzenesulfonamide","C8 H11 N O3 S","O=S(=O)(N)c1ccc(cc1)CCO;N[S](=O)(=O)c1ccc(CCO)cc1;c1cc(ccc1CCO)S(=O)(=O)N","InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)","","2015-03-24","2016-01-29","4-(2-hydroxyethyl)benzenesulfonamide","2016-02-03"],["0BR","(4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol","C20 H26 N2 O2","O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(CC)C3)cc4)C;CC[CH]1C[N]2CC[CH]1C[CH]2[CH](O)c3ccnc4ccc(OC)cc34;CCC1CN2CCC1CC2C(c3ccnc4c3cc(cc4)OC)O","InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14+,19-,20+/m0/s1","","2011-11-19","2012-02-10","(4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol",""],["S2P","(2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid","C5 H7 N3 O3 S","O=C(O)C(N)Cc1nsnc1O;N[CH](Cc1nsnc1O)C(O)=O;C(c1c(nsn1)O)C(C(=O)O)N","InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m0/s1","","2007-11-29","2011-06-04","3-(4-hydroxy-1,2,5-thiadiazol-3-yl)-L-alanine",""],["0BS","2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide","C21 H19 N3 O3 S","NC(=N)c1sc(CNC(=O)Cc2ccc3OCOc3c2)c(c1)c4ccccc4;c1ccc(cc1)c2cc(sc2CNC(=O)Cc3ccc4c(c3)OCO4)C(=N)N","InChI=1S/C21H19N3O3S/c22-21(23)18-10-15(14-4-2-1-3-5-14)19(28-18)11-24-20(25)9-13-6-7-16-17(8-13)27-12-26-16/h1-8,10H,9,11-12H2,(H3,22,23)(H,24,25)","","2021-06-04","2022-06-17","2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide","2022-06-22"],["0BT","1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","C17 H18 I N2 O8 P","O=C1C(=CN(C(=O)N1)C4OC2C(OC(OC2)(c3ccc(I)cc3)P(=O)(O)O)C4)C;CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccc(I)cc4)[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(O3)(c4ccc(cc4)I)P(=O)(O)O","InChI=1S/C17H18IN2O8P/c1-9-7-20(16(22)19-15(9)21)14-6-12-13(27-14)8-26-17(28-12,29(23,24)25)10-2-4-11(18)5-3-10/h2-5,7,12-14H,6,8H2,1H3,(H,19,21,22)(H2,23,24,25)/t12-,13-,14-,17-/m1/s1","","2011-11-21","2014-09-05","1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione","2014-09-10"],["S2Q","3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide","C18 H20 N4 O4 S","CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O;CC(C)c1c2cc(cnc2on1)C(=O)NC(C)c3cccc(c3)S(=O)(=O)N","InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1","","2020-11-06","2021-03-19","3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide","2021-03-24"],["0BU","8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic\nacid","C35 H26 N4 O21 S6","O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O;O[S](=O)(=O)c1cc2c(ccc(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc5ccc(c6cc(cc(c56)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)c3)c2c(c1)[S](O)(=O)=O)[S](O)(=O)=O;c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C35H26N4O21S6/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)","NF023","2011-11-23","2020-06-17","8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid",""],["S2R","(1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","C21 H20 N2 O4","O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1;OC(=O)[CH]1Cc2ccccc2[CH]1NC(=O)c3ccc(NC(=O)C4CC4)cc3;c1ccc2c(c1)CC(C2NC(=O)c3ccc(cc3)NC(=O)C4CC4)C(=O)O","InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m1/s1","","2022-06-23","2022-07-08","(1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid","2022-07-13"],["S2S","4-(methylsulfonylamino)benzamide","C8 H10 N2 O3 S","C[S](=O)(=O)Nc1ccc(cc1)C(N)=O;CS(=O)(=O)Nc1ccc(cc1)C(=O)N","InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)","","2020-03-03","2020-06-26","4-(methylsulfonylamino)benzamide","2020-07-01"],["0BV","phenanthren-9-ylacetaldehyde","C16 H12 O","O=CCc2cc3c(c1c2cccc1)cccc3;O=CCc1cc2ccccc2c3ccccc13;c1ccc2c(c1)cc(c3c2cccc3)CC=O","InChI=1S/C16H12O/c17-10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,10-11H,9H2","9-ethylphenanthrene, oxidized and bound form","2011-11-28","2024-09-27","phenanthren-9-ylacetaldehyde","2013-01-04"],["0BW","methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate","C21 H25 N3 O4","O=C(OC)c2ccc(c(NC(=O)c1cccc(OC)c1)c2)N3CCN(C)CC3;COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c3cccc(OC)c3)c1;CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC","InChI=1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)","","2011-11-28","2011-12-09","methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate",""],["S2T","(2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid","C10 H9 Cl O4","Clc1ccccc1C(OC(=O)C)C(=O)O;CC(=O)O[CH](C(O)=O)c1ccccc1Cl;CC(=O)OC(c1ccccc1Cl)C(=O)O","InChI=1S/C10H9ClO4/c1-6(12)15-9(10(13)14)7-4-2-3-5-8(7)11/h2-5,9H,1H3,(H,13,14)/t9-/m0/s1","","2014-01-23","2014-07-18","(2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid","2014-07-23"],["0BX","4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid","C17 H14 N4 O2","O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3)n2)cc1;c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O","InChI=1S/C17H14N4O2/c22-16(23)12-6-8-14(9-7-12)20-17-18-11-10-15(21-17)19-13-4-2-1-3-5-13/h1-11H,(H,22,23)(H2,18,19,20,21)","","2011-11-29","2012-01-20","4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid",""],["S2U","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide","C22 H23 N3 O3 S","COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)OC","InChI=1S/C22H23N3O3S/c1-22(2,28-18-9-7-17(27-3)8-10-18)21(26)25-16-6-4-5-14(11-16)15-12-19(20(23)24)29-13-15/h4-13H,1-3H3,(H3,23,24)(H,25,26)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide","2023-08-02"],["S2V","(1-methylpiperidin-4-yl) 3-fluoranylbenzoate","C13 H16 F N O2","CN1CCC(CC1)OC(=O)c2cccc(F)c2;CN1CCC(CC1)OC(=O)c2cccc(c2)F","InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3","","2020-03-03","2020-06-26","(1-methylpiperidin-4-yl) 3-fluoranylbenzoate","2020-07-01"],["0BY","4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid","C17 H13 Cl N4 O2","O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3Cl;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1;c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl","InChI=1S/C17H13ClN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)","","2011-11-29","2012-01-23","4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid",""],["0BZ","4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid","C17 H13 F N4 O2","O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3F;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1;c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F","InChI=1S/C17H13FN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)","","2011-11-29","2012-01-20","4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid",""],["S2W","~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine","C18 H17 F3 N4","C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F;Cc1nc2ccccc2c(n1)NC(C)c3cc(cc(c3)N)C(F)(F)F","InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1","","2020-11-06","2021-03-19","~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine","2021-03-24"],["S2X","2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid","C14 H12 N2 O4","CC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O;CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O","InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)","","2015-07-09","2016-01-08","2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid","2016-01-13"],["0C","L-CYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1","","2009-07-16","2011-06-04","4-amino-1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one",""],["0C0","4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid","C23 H18 N4 O2","O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc4ccccc4c3ccccc3;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3c4ccccc4)n2)cc1;c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O","InChI=1S/C23H18N4O2/c28-22(29)17-10-12-18(13-11-17)25-23-24-15-14-21(27-23)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,28,29)(H2,24,25,26,27)","","2011-11-29","2012-01-20","4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid",""],["S2Y","~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline","C14 H14 F N O","COc1ccc(NCc2ccc(F)cc2)cc1;COc1ccc(cc1)NCc2ccc(cc2)F","InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3","","2020-03-03","2020-06-26","~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline","2020-07-01"],["S2Z","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine","C19 H21 N3 O2","COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2cc1OC;Cc1nc2cc(c(cc2c(n1)NC(C)c3ccccc3)OC)OC","InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1","","2020-11-06","2021-03-19","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine","2021-03-24"],["0C1","6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide","C24 H19 F2 N3 O5 S","O=S(=O)(NC(=O)c1n(c4c(c1C2=CC=CNC2=O)c3OCCc3cc4)Cc5cc(F)ccc5F)C;C[S](=O)(=O)NC(=O)c1n(Cc2cc(F)ccc2F)c3ccc4CCOc4c3c1C5=CC=CNC5=O;CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O","InChI=1S/C24H19F2N3O5S/c1-35(32,33)28-24(31)21-19(16-3-2-9-27-23(16)30)20-18(7-4-13-8-10-34-22(13)20)29(21)12-14-11-15(25)5-6-17(14)26/h2-7,9,11H,8,10,12H2,1H3,(H,27,30)(H,28,31)","","2011-11-29","2012-01-20","6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide",""],["0C2","(3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide","C25 H21 F2 N3 O5 S","O=S(=O)(NC(=O)c1n(c4c(c1C2=CC=CNC2=O)c3OCC(c3cc4)C)Cc5cc(F)ccc5F)C;C[CH]1COc2c1ccc3n(Cc4cc(F)ccc4F)c(C(=O)N[S](C)(=O)=O)c(C5=CC=CNC5=O)c23;CC1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O","InChI=1S/C25H21F2N3O5S/c1-13-12-35-23-16(13)6-8-19-21(23)20(17-4-3-9-28-24(17)31)22(25(32)29-36(2,33)34)30(19)11-14-10-15(26)5-7-18(14)27/h3-10,13H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t13-/m1/s1","","2011-11-29","2012-01-20","(3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide",""],["S30","2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one","C25 H21 N7 O2","O=C2N(c1ccccc1C)C(=Nc3cccc(c23)C)Cn5nc(C#CCO)c4c(ncnc45)N;Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(C#CCO)c5c(N)ncnc45;Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N","InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28)","","2009-11-09","2011-06-04","2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one",""],["0C3","4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid","C18 H13 F3 N4 O2","FC(F)(F)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1;c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O","InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)","","2011-11-29","2012-01-20","4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid",""],["S31","[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper","C27 H39 Cu N9 O3 S","O.[Cu]N=[N+]=[NH-].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C27H38N6O2S.Cu.HN3.H2O/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22;;1-3-2;/h3-6,8-9,14-15,23-24,26H,1-2,7,10-13,16-20H2,(H,30,34)(H2,31,32,35);;1H;1H2/q;+2;-1;/p-1/t23-,24-,26-;;;/m0.../s1","","2017-05-02","2018-04-13","","2018-04-18"],["S32","[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper","C27 H38 Cu N6 O3 S","O=C1NC2CSC(C2N1)CCCCC(NCCCN45CCc3ccccn3[Cu]4(n6c(CC5)cccc6)O)=O;O.[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C27H38N6O2S.Cu.H2O/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22;;/h3-6,8-9,14-15,23-24,26H,1-2,7,10-13,16-20H2,(H,30,34)(H2,31,32,35);;1H2/q;+1;/p-1/t23-,24-,26-;;/m0../s1","","2017-05-02","2018-04-13","[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper","2018-04-18"],["0C4","4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid","C17 H13 Br N4 O2","O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3Br;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1;c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br","InChI=1S/C17H13BrN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)","","2011-11-29","2012-01-20","4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid",""],["0C5","4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid","C18 H13 N5 O2","O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3C#N;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1;c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O","InChI=1S/C18H13N5O2/c19-11-13-3-1-2-4-15(13)22-16-9-10-20-18(23-16)21-14-7-5-12(6-8-14)17(24)25/h1-10H,(H,24,25)(H2,20,21,22,23)","","2011-11-29","2012-01-20","4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid",""],["S33","(2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide","C32 H34 Cl2 N6 O6 S","O=C(NCc1cc(Cl)ccc1CN)C4N(C(=O)C(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC(=O)NCc3ccc(C#N)cc3)CCC4;COc1ccc(cc1Cl)[S](=O)(=O)N[CH](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[CH]3C(=O)NCc4cc(Cl)ccc4CN;COc1ccc(cc1Cl)S(=O)(=O)NC(CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCCC3C(=O)NCc4cc(ccc4CN)Cl","InChI=1S/C32H34Cl2N6O6S/c1-46-29-11-10-25(14-26(29)34)47(44,45)39-27(15-30(41)37-18-21-6-4-20(16-35)5-7-21)32(43)40-12-2-3-28(40)31(42)38-19-23-13-24(33)9-8-22(23)17-36/h4-11,13-14,27-28,39H,2-3,12,15,17-19,36H2,1H3,(H,37,41)(H,38,42)/t27-,28-/m0/s1","","2011-10-27","2012-10-19","N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide","2012-10-19"],["S34","2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide","C9 H9 N3 O","O=C(CC#N)NCc1ccncc1;c1cnccc1CNC(=O)CC#N","InChI=1S/C9H9N3O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,7H2,(H,12,13)","","2020-03-03","2020-06-26","2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide","2020-07-01"],["0C6","4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid","C17 H12 Cl F N4 O2","O=C(O)c1ccc(cc1)Nc2nc(c(F)cn2)Nc3ccccc3Cl;OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1;c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl","InChI=1S/C17H12ClFN4O2/c18-12-3-1-2-4-14(12)22-15-13(19)9-20-17(23-15)21-11-7-5-10(6-8-11)16(24)25/h1-9H,(H,24,25)(H2,20,21,22,23)","","2011-11-29","2012-01-20","4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid",""],["0C7","N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine","C17 H13 Cl N8","Clc1ccccc1Nc2nc(ncc2)Nc4ccc(c3nnnn3)cc4;Clc1ccccc1Nc2ccnc(Nc3ccc(cc3)c4[nH]nnn4)n2;c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl","InChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26)","","2011-12-02","2012-01-20","N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine",""],["S35","(3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid","C26 H30 F N3 O5","O=C(O)CC(c1ccccc1C)NC(=O)c3nn(c2c(F)cccc2)c(OCC(O)C(C)(C)C)c3;Cc1ccccc1[CH](CC(O)=O)NC(=O)c2cc(OC[CH](O)C(C)(C)C)n(n2)c3ccccc3F;Cc1ccccc1C(CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OCC(C(C)(C)C)O","InChI=1S/C26H30FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19,22,31H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-,22-/m0/s1","","2012-06-22","2014-09-05","(3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid","2012-09-21"],["0C8","4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid","C18 H13 F3 N4 O3","FC(F)(F)Oc1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3OC(F)(F)F)n2)cc1;c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F","InChI=1S/C18H13F3N4O3/c19-18(20,21)28-14-4-2-1-3-13(14)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)","","2011-12-02","2012-01-20","4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid",""],["S36","3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone","C19 H21 N O3","O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2c(cccc2)CC3;CC(C)c1cc(c(O)cc1O)C(=O)N2CCc3ccccc3C2;CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2","InChI=1S/C19H21NO3/c1-12(2)15-9-16(18(22)10-17(15)21)19(23)20-8-7-13-5-3-4-6-14(13)11-20/h3-6,9-10,12,21-22H,7-8,11H2,1-2H3","","2013-06-24","2014-06-13","3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone","2014-06-18"],["S37","(2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid","C12 H20 N O9 P","CC(=O)N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(=O)NC(CCP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O","InChI=1S/C12H20NO9P/c1-7(14)13-9(12(19)20)4-5-23(21,22)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9+/m1/s1","","2020-03-03","2020-08-07","(2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid","2020-08-12"],["0C9","2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid","C18 H14 N4 O4","O=C(O)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3;OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1;c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O","InChI=1S/C18H14N4O4/c23-16(24)11-5-7-12(8-6-11)20-18-19-10-9-15(22-18)21-14-4-2-1-3-13(14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)","","2011-12-02","2012-01-20","2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid",""],["0CA","1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid","C31 H35 N5 O3","O=C(O)c2cc(OC1CCN(C(=[N@H])C)CC1)cc3c2cc(n3Cc5cc4cc(C(=[N@H])N)ccc4cc5)C(C)C;CC(C)c1cc2c(cc(OC3CCN(CC3)C(C)=N)cc2C(O)=O)n1Cc4ccc5ccc(cc5c4)C(N)=N;CC(C)c1cc2c(cc(cc2n1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C)C(=O)O","InChI=1S/C31H35N5O3/c1-18(2)28-16-26-27(31(37)38)14-25(39-24-8-10-35(11-9-24)19(3)32)15-29(26)36(28)17-20-4-5-21-6-7-22(30(33)34)13-23(21)12-20/h4-7,12-16,18,24,32H,8-11,17H2,1-3H3,(H3,33,34)(H,37,38)","","2011-12-04","2012-11-16","1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid","2012-11-16"],["S38","4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide","C17 H14 N2 O","O=C(NC2CC2c1ccccc1)c3ccc(C#N)cc3;O=C(N[CH]1C[CH]1c2ccccc2)c3ccc(cc3)C#N;c1ccc(cc1)C2CC2NC(=O)c3ccc(cc3)C#N","InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1","","2010-09-27","2011-06-04","4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide",""],["0CB","{[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid","C27 H31 N5 O5 S","O=C(O)CS(=O)(=O)N(c2ccc(OC1CCN(C(=[N@H])C)CC1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4;CC(=N)N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)C(N)=N)[S](=O)(=O)CC(O)=O;CC(=N)N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)C(=N)N)S(=O)(=O)CC(=O)O","InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)/b28-18+","","2011-12-04","2012-11-30","{[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid","2012-11-30"],["S39","(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C28 H22 Cl N5 O2 S","Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc2ncsc2cc1;Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)Nc5ccc6scnc6c5;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)Nc5ccc6c(c5)ncs6","InChI=1S/C28H22ClN5O2S/c29-19-6-5-18-13-34(15-27(35)32-20-7-8-26-24(10-20)31-16-37-26)14-23(22(18)9-19)28(36)33-25-12-30-11-17-3-1-2-4-21(17)25/h1-12,16,23H,13-15H2,(H,32,35)(H,33,36)/t23-/m1/s1","","2023-08-22","2023-11-03","(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["0CC","Andiconin D","C25 H30 O4","CC1(C)[CH]2CC[C]34C[C]5(C)C=C6C(=O)OC[C]36[C](C)(C[CH]4[C]2(C)C=CC1=O)C5=O;CC1(C2CCC34CC5(C=C6C3(COC6=O)C(C5=O)(CC4C2(C=CC1=O)C)C)C)C","InChI=1S/C25H30O4/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(20)26/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1","","2021-06-08","2022-04-15","","2022-04-20"],["S3A","(2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","C12 H21 N O12 P2","CC(=O)N[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)C(O)=O;CC(=O)NC(CCP(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O","InChI=1S/C12H21NO12P2/c1-7(14)13-9(12(19)20)4-5-26(21,25-27(22,23)24)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26+/m1/s1","","2020-03-03","2020-08-07","(2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid","2020-08-12"],["0CE","2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one","C28 H28 N4 O2","CC(C)n1c2ccc(cc2c3c4C=NC(=O)c4c5c(CCc6nn(C)cc56)c13)[CH]7CCCCO7;CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)C7CCCCO7","InChI=1S/C28H28N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12-15,23H,4-6,8-9,11H2,1-3H3/t23-/m0/s1","","2010-01-13","2011-06-04","",""],["S3B","3-methyl-2-(propanoyloxy)benzoic acid","C11 H12 O4","O=C(Oc1c(cccc1C)C(=O)O)CC;CCC(=O)Oc1c(C)cccc1C(O)=O;CCC(=O)Oc1c(cccc1C(=O)O)C","InChI=1S/C11H12O4/c1-3-9(12)15-10-7(2)5-4-6-8(10)11(13)14/h4-6H,3H2,1-2H3,(H,13,14)","","2008-11-25","2011-06-04","3-methyl-2-(propanoyloxy)benzoic acid",""],["S3C","(2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid","C9 H5 Cl3 O2 S","Clc1c(C=C(/S)C(=O)O)c(Cl)ccc1Cl;OC(=O)C(S)=Cc1c(Cl)ccc(Cl)c1Cl;c1cc(c(c(c1Cl)C=C(C(=O)O)S)Cl)Cl","InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-","","2014-04-08","2014-11-14","(2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid","2014-11-19"],["0CG","prop-2-yn-1-yl trihydrogen diphosphate","C3 H6 O7 P2","O=P(O)(O)OP(=O)(OCC#C)O;O[P](O)(=O)O[P](O)(=O)OCC#C;C#CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6)","","2011-12-08","2012-08-31","prop-2-yn-1-yl trihydrogen diphosphate","2012-08-31"],["0CH","4-hydroxybutyl trihydrogen diphosphate","C4 H12 O8 P2","O=P(O)(O)OP(=O)(OCCCCO)O;OCCCCO[P](O)(=O)O[P](O)(O)=O;C(CCOP(=O)(O)OP(=O)(O)O)CO","InChI=1S/C4H12O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)","","2011-12-08","2012-08-31","4-hydroxybutyl trihydrogen diphosphate","2012-08-31"],["S3E","[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid","C12 H14 N4 O3","O=C(O)CC1CN(CCO1)c1ncnc2[NH]ccc12;OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCOC(C3)CC(=O)O","InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m0/s1","","2022-06-23","2022-07-08","[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid","2022-07-13"],["0CI","5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","C18 H19 N5 O3","CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1;CCC(=O)N1CC[CH](C1)Oc2nc(cc3ccccc23)C4=NNC(=O)N4;CCC(=O)N1CCC(C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4","InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1","","2021-06-07","2024-09-27","5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one","2021-09-08"],["S3F","oxidized [Fe4-S3] cluster","Fe4 O S3","O|[Fe]|1S|2[Fe]S[Fe]|2S|1[Fe];[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]","InChI=1S/4Fe.H2O.3S/h;;;;1H2;;;/q;;;+1;;;;/p-1","","2013-01-30","2014-03-28","(2-$l^{1}-oxidanyl-1$l^{3},3$l^{3},5-trithia-2$l^{3},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-3-yl)iron","2014-04-02"],["S3G","5-[(2S)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid","C21 H24 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3ccncc3;CC(C)C[CH](CNC(=O)c1ccncc1)Cc2ccc3OCOc3c2C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3","InChI=1S/C21H24N2O5/c1-13(2)9-14(11-23-20(24)15-5-7-22-8-6-15)10-16-3-4-17-19(28-12-27-17)18(16)21(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1","","2013-12-19","2014-09-05","5-[(2S)-4-methyl-2-{[(pyridin-4-ylcarbonyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["0CJ","4-oxopentyl trihydrogen diphosphate","C5 H12 O8 P2","O=P(O)(O)OP(=O)(OCCCC(=O)C)O;CC(=O)CCCO[P](O)(=O)O[P](O)(O)=O;CC(=O)CCCOP(=O)(O)OP(=O)(O)O","InChI=1S/C5H12O8P2/c1-5(6)3-2-4-12-15(10,11)13-14(7,8)9/h2-4H2,1H3,(H,10,11)(H2,7,8,9)","","2011-12-08","2012-08-31","4-oxopentyl trihydrogen diphosphate","2012-08-31"],["0CK","4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine","C19 H20 F N5","Fc4ccc(c1ncn(c1c2nc(ncc2)N)C3CCCCC3)cc4;Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCCCC4;c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F","InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)","","2011-12-08","2012-01-06","4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine",""],["S3H","trisulfane","H2 S3","SSS;SSS;SSS","InChI=1S/H2S3/c1-3-2/h1-2H","","2009-05-11","2024-09-27","trisulfane",""],["0CL","1,3-dichloropropane","C3 H6 Cl2","ClCCCCl;ClCCCCl;C(CCl)CCl","InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2","","2009-02-17","2011-06-04","1,3-dichloropropane",""],["S3I","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide","C23 H23 N3 O3 S","CC(=O)c1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1;CC(=O)c1ccc(cc1)OC(C)(C)C(=O)Nc2cccc(c2)c3cc(sc3)C(=N)N","InChI=1S/C23H23N3O3S/c1-14(27)15-7-9-19(10-8-15)29-23(2,3)22(28)26-18-6-4-5-16(11-18)17-12-20(21(24)25)30-13-17/h4-13H,1-3H3,(H3,24,25)(H,26,28)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide","2023-08-02"],["S3J","2-(4-phenylpiperidin-1-yl)ethanoic acid","C13 H17 N O2","OC(=O)CN1CCC(CC1)c2ccccc2;c1ccc(cc1)C2CCN(CC2)CC(=O)O","InChI=1S/C13H17NO2/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)","","2020-03-04","2020-04-17","2-(4-phenylpiperidin-1-yl)ethanoic acid","2020-04-22"],["0CM","but-2-yn-1-yl trihydrogen diphosphate","C4 H8 O7 P2","O=P(O)(O)OP(=O)(OCC#CC)O;CC#CCO[P](O)(=O)O[P](O)(O)=O;CC#CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h4H2,1H3,(H,8,9)(H2,5,6,7)","","2011-12-08","2012-08-31","but-2-yn-1-yl trihydrogen diphosphate","2012-08-31"],["S3M","(1-methyl-5-phenyl-pyrazol-3-yl)methanol","C11 H12 N2 O","Cn1nc(CO)cc1c2ccccc2;Cn1c(cc(n1)CO)c2ccccc2","InChI=1S/C11H12N2O/c1-13-11(7-10(8-14)12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3","","2020-03-04","2020-04-17","(1-methyl-5-phenyl-pyrazol-3-yl)methanol","2020-04-22"],["0CN","buta-2,3-dien-1-yl trihydrogen diphosphate","C4 H8 O7 P2","O=P(O)(O)OP(=O)(OCC=C=C)O;O[P](O)(=O)O[P](O)(=O)OC[CH]=[C]=[CH2];C=C=CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h3H,1,4H2,(H,8,9)(H2,5,6,7)","","2011-12-15","2012-08-31","buta-2,3-dien-1-yl trihydrogen diphosphate","2012-08-31"],["S3N","7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","C20 H16 F3 N3 O2","FC(F)(F)c1ccc(cc1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3;c1cc(ccc1C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O)C(F)(F)F","InChI=1S/C20H16F3N3O2/c21-20(22,23)13-4-1-11(2-5-13)18(27)16-9-24-8-15(16)12-3-6-14-17(7-12)25-10-26-19(14)28/h1-7,10,15-16,24H,8-9H2,(H,25,26,28)/t15-,16+/m1/s1","","2015-04-09","2016-04-08","7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","2016-04-13"],["0CO","(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol","C28 H44 O4","OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)CC(O)C2)CCCC34C)(C)C;CC(C)(O)C[CH]1CO[C](C)(C1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C4(CC(CO4)CC(C)(C)O)C","InChI=1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22-,23+,24+,25+,27+,28+/m1/s1","","2008-05-13","2011-06-04","(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol",""],["0CP","5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one","C18 H24 N2 O3","COc1ccc(cc1O[CH]2C[CH]3CC[CH]2C3)C4CNC(=O)NC4;COc1ccc(cc1OC2CC3CCC2C3)C4CNC(=O)NC4","InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1","","2009-11-11","2011-06-04","5-[3-[[(1R,4S,5S)-5-bicyclo[2.2.1]heptanyl]oxy]-4-methoxy-phenyl]-1,3-diazinan-2-one",""],["S3O","N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide","C18 H21 N3 O","C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C;CC(=O)Nc1cc2NCCCc2c(n1)c3cccc(C)c3C;Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3","InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)","","2019-10-25","2020-03-27","N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide","2020-04-01"],["0CR","MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y\nl)propanoic acid]-cryptophane-A","C74 H74 N10 O18 S","O=C(O)CCn1nnc(c1)COc%14cc%13c%12cc%14OCCOc2c(OC)cc6c(c2)Cc7cc(OC)c8OCCOc4cc(c(cc4OCc3nnn(c3)CCC(=O)O)Cc%11cc(OCCOc5c(OC)cc(c(c5)C6)Cc7c8)c(OCc9nnn(c9)CCc%10ccc(cc%10)S(=O)(=O)N)cc%11C%12)C%13;COc1cc2Cc3cc4OCCOc5cc6Cc7cc(OCc8cn(CCc9ccc(cc9)[S](N)(=O)=O)nn8)c%10OCCOc%11cc(Cc3cc4OC)c(Cc2cc1OCCOc%12cc(Cc6cc5OCc%13cn(CCC(O)=O)nn%13)c(Cc7c%10)cc%12OCc%14cn(CCC(O)=O)nn%14)cc%11OC;COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O","InChI=1S/C74H74N10O18S/c1-91-61-26-45-21-49-30-66-63(93-3)28-47(49)22-50-31-65-62(92-2)27-46(50)20-48(45)29-64(61)94-14-17-97-67-32-51-24-55-36-71(101-42-58-39-83(80-77-58)12-9-73(85)86)69(99-19-16-96-66)34-53(55)25-56-37-72(102-43-59-40-84(81-78-59)13-10-74(87)88)68(98-18-15-95-65)33-52(56)23-54(51)35-70(67)100-41-57-38-82(79-76-57)11-8-44-4-6-60(7-5-44)103(75,89)90/h4-7,26-40H,8-25,41-43H2,1-3H3,(H,85,86)(H,87,88)(H2,75,89,90)","3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxad\necacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54)\n,14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropa\nnoic acid","2008-04-28","2020-06-17","3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid (non-preferred name)",""],["S3P","SHIKIMATE-3-PHOSPHATE","C7 H11 O8 P","O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O)C1;O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O;C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O","InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1","","2000-11-16","2011-06-04","(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["0CS","3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINE","C3 H7 N O5 S","O=C(O)C(N)CS(=O)OO;N[CH](C[S](=O)OO)C(O)=O;C(C(C(=O)O)N)S(=O)OO","InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(8)9-7/h2,7H,1,4H2,(H,5,6)/t2-,10-/m0/s1","","2007-01-19","2024-09-27","3-[(S)-hydroperoxysulfinyl]-L-alanine",""],["S3Q","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine","C20 H20 F3 N3 O2","COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC;Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)C(F)(F)F)OC)OC","InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1","","2020-11-06","2021-03-19","6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine","2021-03-24"],["0CT","1H-benzotriazole","C6 H5 N3","n1nnc2ccccc12;[nH]1nnc2ccccc12;c1ccc2c(c1)[nH]nn2","InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)","","2011-12-09","2012-06-01","1H-benzotriazole",""],["S3R","5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine","C11 H14 Cl N7","Nc1ncc(Cl)nc1NCc1nnc(C)n1C1CC1;Cc1nnc(CNc2nc(Cl)cnc2N)n1C3CC3;Cc1nnc(n1C2CC2)CNc3c(ncc(n3)Cl)N","InChI=1S/C11H14ClN7/c1-6-17-18-9(19(6)7-2-3-7)5-15-11-10(13)14-4-8(12)16-11/h4,7H,2-3,5H2,1H3,(H2,13,14)(H,15,16)","","2022-06-23","2022-07-08","5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine","2022-07-13"],["0CU","5,7-dichloro-1H-benzotriazole","C6 H3 Cl2 N3","Clc1cc2nnnc2c(Cl)c1;Clc1cc(Cl)c2[nH]nnc2c1;c1c(cc(c2c1nn[nH]2)Cl)Cl","InChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)","","2011-12-09","2012-06-01","5,7-dichloro-1H-benzotriazole",""],["S3S","ethyl 2-pyridin-4-ylethanoate","C9 H11 N O2","CCOC(=O)Cc1ccncc1;CCOC(=O)Cc1ccncc1","InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3","","2020-03-04","2020-04-17","ethyl 2-pyridin-4-ylethanoate","2020-04-22"],["0CV","6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline","C17 H21 N5 O","n2c1c(cc(OC)cc1c(c3c2nnc3C)N4CCNCC4)C;COc1cc(C)c2nc3[nH]nc(C)c3c(N4CCNCC4)c2c1;Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC","InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)","","2011-12-09","2012-01-20","6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline",""],["S3T","~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine","C19 H22 N4 O2","COc1cc2nc(C)nc(N[CH](C)c3cccc(N)c3)c2cc1OC;Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)N)OC)OC","InChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1","","2020-11-06","2021-03-19","~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine","2021-03-24"],["0CX","(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1H-as-indaceno[3,2-d]oxacyclododecine-7,15-dione","C24 H34 O5","O=C3OC(CCCC(O)C(C(=O)C2=CC1C4CC(O)CC4C=CC1C2C3)C)CC;CC[CH]1CCC[CH](O)[CH](C)C(=O)C2=C[CH]3[CH]4C[CH](O)C[CH]4C=C[CH]3[CH]2CC(=O)O1;CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)O)C)O","InChI=1S/C24H34O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h7-8,11,13-20,22,25-26H,3-6,9-10,12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20+,22+/m1/s1","","2011-12-12","2012-02-10","(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1H-as-indaceno[3,2-d]oxacyclododecine-7,15-dione",""],["S3U","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide","C24 H25 N3 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccccc4)c2;c1ccc(cc1)OC2(CCCCC2)C(=O)Nc3cccc(c3)c4cc(sc4)C(=N)N","InChI=1S/C24H25N3O2S/c25-22(26)21-15-18(16-30-21)17-8-7-9-19(14-17)27-23(28)24(12-5-2-6-13-24)29-20-10-3-1-4-11-20/h1,3-4,7-11,14-16H,2,5-6,12-13H2,(H3,25,26)(H,27,28)","","2022-12-09","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide","2023-08-02"],["0CZ","4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol","C15 H10 F6 O2","FC(F)(F)C(c1ccc(O)cc1)(c2ccc(O)cc2)C(F)(F)F;Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F;c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O","InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H","BISPHENOL AF","2011-12-13","2021-03-01","4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol",""],["S3V","pyridine-4-carboxylic acid","C6 H5 N O2","OC(=O)c1ccncc1;c1cnccc1C(=O)O","InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)","","2020-03-04","2020-04-17","pyridine-4-carboxylic acid","2020-04-22"],["0D1","4,4'-(2,2-dichloroethene-1,1-diyl)diphenol","C14 H10 Cl2 O2","Cl/C(Cl)=C(/c1ccc(O)cc1)c2ccc(O)cc2;Oc1ccc(cc1)C(=C(Cl)Cl)c2ccc(O)cc2;c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O","InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H","","2011-12-13","2012-08-17","4,4'-(2,2-dichloroethene-1,1-diyl)diphenol",""],["S3W","N-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-N'-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]butanediamide","C20 H33 N5 O12","n2c(CNC(CCC(NC1C(C(C(O)C(CO)O1)O)O)=O)=O)cn(n2)CC3C(O)C(C(C(OC)O3)O)O;CO[CH]1O[CH](Cn2cc(CNC(=O)CCC(=O)N[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nn2)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)Cn2cc(nn2)CNC(=O)CCC(=O)NC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C20H33N5O12/c1-35-20-18(34)16(32)13(29)9(37-20)6-25-5-8(23-24-25)4-21-11(27)2-3-12(28)22-19-17(33)15(31)14(30)10(7-26)36-19/h5,9-10,13-20,26,29-34H,2-4,6-7H2,1H3,(H,21,27)(H,22,28)/t9-,10+,13-,14+,15+,16+,17-,18-,19-,20+/m1/s1","","2019-12-18","2020-10-23","N-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-N'-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]butanediamide (non-preferred name)","2020-10-28"],["0D2","(4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone","C18 H14 N4 O4","O=C2NC(=O)NC2(c1ccccc1)C3(C(=O)NC(=O)N3)c4ccccc4;O=C1NC(=O)[C](N1)(c2ccccc2)[C]3(NC(=O)NC3=O)c4ccccc4;c1ccc(cc1)C2(C(=O)NC(=O)N2)C3(C(=O)NC(=O)N3)c4ccccc4","InChI=1S/C18H14N4O4/c23-13-17(21-15(25)19-13,11-7-3-1-4-8-11)18(12-9-5-2-6-10-12)14(24)20-16(26)22-18/h1-10H,(H2,19,21,23,25)(H2,20,22,24,26)/t17-,18+","","2011-12-13","2012-12-28","(4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone","2012-12-28"],["S3X","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C29 H26 Cl N5 O4","[O-][N+](=O)c1ccc(cc1)C(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;C[CH](NC(=O)CN1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1)c5ccc(cc5)[N+]([O-])=O;CC(c1ccc(cc1)[N+](=O)[O-])NC(=O)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C29H26ClN5O4/c1-18(19-7-10-23(11-8-19)35(38)39)32-28(36)17-34-15-21-6-9-22(30)12-25(21)26(16-34)29(37)33-27-14-31-13-20-4-2-3-5-24(20)27/h2-14,18,26H,15-17H2,1H3,(H,32,36)(H,33,37)/t18-,26+/m0/s1","","2023-08-22","2024-01-23","(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["S3Y","[(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol","C9 H12 Cl N3 O","C(O)C1NNN(C1)c2ccc(cc2)Cl;OC[CH]1CN(NN1)c2ccc(Cl)cc2;c1cc(ccc1N2CC(NN2)CO)Cl","InChI=1S/C9H12ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-4,8,11-12,14H,5-6H2","","2020-03-04","2020-04-17","[(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol","2020-04-22"],["0D3","N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide","C15 H21 N3 O3 S","O=C(N)CNC(=O)C(NC(=O)C(CS)Cc1ccccc1)C;C[CH](NC(=O)[CH](CS)Cc1ccccc1)C(=O)NCC(N)=O","InChI=1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12+/m0/s1","","2008-12-17","2011-07-13","N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide",""],["0D6","N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide","C28 H40 N4 O4 S","O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)CC(C)C)N3CCNCC3;CC(C)C[CH](NC(=O)N1CCNCC1)C(=O)N[CH](CCc2ccccc2)CC[S](=O)(=O)c3ccccc3;CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3","InChI=1S/C28H40N4O4S/c1-22(2)21-26(31-28(34)32-18-16-29-17-19-32)27(33)30-24(14-13-23-9-5-3-6-10-23)15-20-37(35,36)25-11-7-4-8-12-25/h3-12,22,24,26,29H,13-21H2,1-2H3,(H,30,33)(H,31,34)/t24-,26-/m0/s1","APC3328","2008-11-07","2024-09-27","N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide",""],["S3Z","~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine","C20 H21 F3 N4 O2","COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1OC;Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cc(c3)N)C(F)(F)F)OC)OC","InChI=1S/C20H21F3N4O2/c1-10(12-5-13(20(21,22)23)7-14(24)6-12)25-19-15-8-17(28-3)18(29-4)9-16(15)26-11(2)27-19/h5-10H,24H2,1-4H3,(H,25,26,27)/t10-/m1/s1","","2020-11-06","2021-03-19","~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine","2021-03-24"],["0D8","3-aminopropan-1-ol","C3 H9 N O","OCCCN;NCCCO;C(CN)CO","InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2","","2008-12-10","2024-09-27","3-aminopropan-1-ol",""],["S40","3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide","C23 H23 N3 O3 S","Cc1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4;Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4","InChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27)","","2020-01-21","2021-01-15","3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-~{N}-(pyridin-3-ylmethyl)benzamide","2021-01-20"],["0DA","2'-DEOXY-L-RIBO-FURANOSYL ADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m1/s1","","2009-07-27","2015-05-01","9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine","2015-05-06"],["S41","N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide","C22 H20 N6 O4","O=C(N(C)C)c4ncc(Oc2cc(cc1oc(cc12)C)C(=O)Nc3ncc(nc3)C)cn4;CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc4cnc(C)cn4)cn1;Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C","InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)","","2011-05-27","2011-09-09","N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide",""],["0DB","N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan","C28 H32 N2 O5","O=C(O)C(CCc1ccccc1)CC4(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CCCC4;OC(=O)[CH](CCc1ccccc1)CC2(CCCC2)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O","InChI=1S/C28H32N2O5/c31-25(32)20(13-12-19-8-2-1-3-9-19)17-28(14-6-7-15-28)27(35)30-24(26(33)34)16-21-18-29-23-11-5-4-10-22(21)23/h1-5,8-11,18,20,24,29H,6-7,12-17H2,(H,30,35)(H,31,32)(H,33,34)/t20-,24+/m1/s1","CCT","2008-11-12","2021-03-01","N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan",""],["S42","6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine","C23 H29 N5","n1c(N)cc(cc1CCc2cccc(c2)C(Cc3nc(N)cc(c3)C)CN)C;Cc1cc(N)nc(CCc2cccc(c2)[CH](CN)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)CN","InChI=1S/C23H29N5/c1-15-8-20(27-22(25)10-15)7-6-17-4-3-5-18(12-17)19(14-24)13-21-9-16(2)11-23(26)28-21/h3-5,8-12,19H,6-7,13-14,24H2,1-2H3,(H2,25,27)(H2,26,28)/t19-/m0/s1","","2014-03-17","2014-05-02","6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine","2014-05-07"],["S43","(4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione","C28 H45 N3 O5","CC(C)[CH]1NC(=O)C[CH](O)[CH](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O;CC(C)C1C(=O)NCCCCCCCCCCCOC(=O)NC(C(CC(=O)N1)O)Cc2ccccc2","InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1","","2018-12-21","2020-01-24","(4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione","2020-01-29"],["0DC","2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE","C9 H14 N3 O7 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1","","2009-07-16","2011-06-04","4-amino-1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one",""],["0DF","1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one","C13 H11 N3 O","O=C2Nc1ncc(cc1N2C)c3ccccc3;CN1C(=O)Nc2ncc(cc12)c3ccccc3;CN1c2cc(cnc2NC1=O)c3ccccc3","InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)","","2011-12-14","2012-01-27","1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one",""],["S44","(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid","C32 H41 N O4","O=C(O)C(CC)Cc1cc(c(OCCC)cc1)CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C4)C5;CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C34CC5CC(CC(C5)C3)C4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)CC(CC)C(=O)O","InChI=1S/C32H41NO4/c1-3-11-37-29-10-5-21(15-25(4-2)31(35)36)16-27(29)20-33-30(34)26-6-8-28(9-7-26)32-17-22-12-23(18-32)14-24(13-22)19-32/h5-10,16,22-25H,3-4,11-15,17-20H2,1-2H3,(H,33,34)(H,35,36)/t22-,23+,24-,25-,32-/m0/s1","(S)-2-{3-[(4-adamantan-1-ylbenzoylamino)methyl]-4-propoxybenzyl} butyric acid","2008-05-09","2020-06-17","(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid",""],["0DG","2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m1/s1","","2000-07-16","2011-06-04","2-amino-9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["S45","(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine","C13 H14 Cl N3 O","Clc3ccc(c1nc(on1)C2CCCNC2)cc3;Clc1ccc(cc1)c2noc(n2)[CH]3CCCNC3;c1cc(ccc1c2nc(on2)C3CCCNC3)Cl","InChI=1S/C13H14ClN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2/t10-/m1/s1","","2009-05-12","2011-06-04","(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine",""],["S46","(4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone","C12 H16 N2 O2","O=C(N1CCN(C)CC1)c2ccc(O)cc2;CN1CCN(CC1)C(=O)c2ccc(O)cc2;CN1CCN(CC1)C(=O)c2ccc(cc2)O","InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3","","2013-06-24","2014-06-13","(4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone","2014-06-18"],["0DI","(2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one","C20 H20 Cl F2 N3 O2","O=C(N2CCN(C(=O)c1cc(F)ccc1F)CC2)C(N)Cc3cccc(Cl)c3;N[CH](Cc1cccc(Cl)c1)C(=O)N2CCN(CC2)C(=O)c3cc(F)ccc3F;c1cc(cc(c1)Cl)CC(C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N","InChI=1S/C20H20ClF2N3O2/c21-14-3-1-2-13(10-14)11-18(24)20(28)26-8-6-25(7-9-26)19(27)16-12-15(22)4-5-17(16)23/h1-5,10,12,18H,6-9,11,24H2/t18-/m1/s1","","2011-06-16","2011-07-15","(2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one",""],["0DJ","3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide","C14 H12 N4 O2","O=C(N)c3cccc(c1cc2c(nc1)NC(=O)N2C)c3;CN1C(=O)Nc2ncc(cc12)c3cccc(c3)C(N)=O;CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N","InChI=1S/C14H12N4O2/c1-18-11-6-10(7-16-13(11)17-14(18)20)8-3-2-4-9(5-8)12(15)19/h2-7H,1H3,(H2,15,19)(H,16,17,20)","","2011-12-14","2012-01-27","3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide",""],["S47","(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)","C28 H25 N O4","O=C(OC3C(OC(=O)Cc2c1ccccc1ccc2)CNC3)Cc5c4ccccc4ccc5;O=C(Cc1cccc2ccccc12)O[CH]3CNC[CH]3OC(=O)Cc4cccc5ccccc45;c1ccc2c(c1)cccc2CC(=O)OC3CNCC3OC(=O)Cc4cccc5c4cccc5","InChI=1S/C28H25NO4/c30-27(15-21-11-5-9-19-7-1-3-13-23(19)21)32-25-17-29-18-26(25)33-28(31)16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,25-26,29H,15-18H2/t25-,26-/m0/s1","","2011-01-13","2011-12-30","(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)",""],["0DN","5'-deoxy-5'-fluorothymidine","C10 H13 F N2 O4","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CF;CC1=CN([CH]2C[CH](O)[CH](CF)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CF)O","InChI=1S/C10H13FN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1","","2011-12-14","2012-01-27","5'-deoxy-5'-fluorothymidine",""],["S48","METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE","C27 H30 N6 O4 S","O=S(=O)(c1ncn(c1)C)N(C4Cc3c(ccc(c2ccccc2)c3)N(C4)Cc5cncn5C)CC(=O)OC;COC(=O)CN([CH]1CN(Cc2cncn2C)c3ccc(cc3C1)c4ccccc4)[S](=O)(=O)c5cn(C)cn5;Cn1cc(nc1)S(=O)(=O)N(CC(=O)OC)C2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5","InChI=1S/C27H30N6O4S/c1-30-16-26(29-19-30)38(35,36)33(17-27(34)37-3)23-12-22-11-21(20-7-5-4-6-8-20)9-10-25(22)32(14-23)15-24-13-28-18-31(24)2/h4-11,13,16,18-19,23H,12,14-15,17H2,1-3H3/t23-/m0/s1","","2006-09-21","2011-06-04","methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate",""],["S49","(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide","C29 H33 N5 O4 S","C(S(=O)(=O)NC(Cc1ccccc1)C(N3C(C(=O)NCc2ccc(/C(N)=N)cc2)CCC3)=O)c4ccccc4;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](Cc3ccccc3)N[S](=O)(=O)Cc4ccccc4)cc1;c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)Cc4ccccc4","InChI=1S/C29H33N5O4S/c30-27(31)24-15-13-22(14-16-24)19-32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,33H,7,12,17-20H2,(H3,30,31)(H,32,35)/t25-,26+/m1/s1","","2015-03-23","2020-09-03","N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","2015-07-15"],["0DO","(2R,4S)-N-tert-butyl-1-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide","C35 H46 N4 O6 S","O=S(=O)(c1ccncc1)C4CC(C(=O)NC(C)(C)C)N(CC(O)C(NC(=O)COc2c(cccc2C)C)Cc3ccccc3)CC4;Cc1cccc(C)c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)CN3CC[CH](C[CH]3C(=O)NC(C)(C)C)[S](=O)(=O)c4ccncc4;Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CN3CCC(CC3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C","InChI=1S/C35H46N4O6S/c1-24-10-9-11-25(2)33(24)45-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(21-30(39)34(42)38-35(3,4)5)46(43,44)27-14-17-36-18-15-27/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1","","2008-11-07","2011-07-13","(2S,4R)-N-tert-butyl-1-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide",""],["0DQ","4-phenyl-1,2,3-thiadiazol-5-amine","C8 H7 N3 S","n1nsc(c1c2ccccc2)N;Nc1snnc1c2ccccc2;c1ccc(cc1)c2c(snn2)N","InChI=1S/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2","","2011-12-16","2024-09-27","4-phenyl-1,2,3-thiadiazol-5-amine",""],["S4A","2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)","C10 H14 N5 O5 P S","O=P(O)(O)OCC3SC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)S3;c1nc(c2c(n1)n(cn2)C3CC(C(S3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(22-7)2-20-21(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1","","2007-11-28","2011-06-04","2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)",""],["S4B","{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid","C14 H13 B O4","c2(ccc(C=Cc1cc(O)cc(O)c1)cc2)B(O)O;OB(O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1;B(c1ccc(cc1)C=Cc2cc(cc(c2)O)O)(O)O","InChI=1S/C14H13BO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-19H/b2-1+","","2016-12-06","2017-09-22","{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid","2017-09-27"],["0DS","N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide","C23 H36 N4 O5","O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](CC(=O)NO)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc1ccccc1)C(N)=O;CC(C)CC(CC(=O)NO)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)N","InChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1","ICI U24522","2008-11-10","2021-03-01","N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide",""],["0DT","2'-DEOXY-L-RIBO-FURANOSYL THYMIDINE-5'-MONOPHOSPHATE","C10 H15 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1","","2009-07-27","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["S4C","4'-THIO-4'-DEOXY-CYTOSINE-5'-MONOPHOSPHATE","C9 H14 N3 O7 P S","O=C1N=C(N)C=CN1C2SC(C(O)C2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2S[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(S2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2005-07-01","2011-06-04","4'-thiocytidine 5'-(dihydrogen phosphate)",""],["0DU","N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine","C24 H19 Cl2 F3 N2 O4","O=C3C(c1ccc(cc1)CC(C(=O)O)NC(=O)c2c(Cl)cccc2Cl)=C(C=C(N3C)C)C(F)(F)F;CN1C(=CC(=C(C1=O)c2ccc(C[CH](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)C(F)(F)F)C;CC1=CC(=C(C(=O)N1C)c2ccc(cc2)CC(C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F","InChI=1S/C24H19Cl2F3N2O4/c1-12-10-15(24(27,28)29)19(22(33)31(12)2)14-8-6-13(7-9-14)11-18(23(34)35)30-21(32)20-16(25)4-3-5-17(20)26/h3-10,18H,11H2,1-2H3,(H,30,32)(H,34,35)/t18-/m0/s1","","2011-12-16","2012-01-06","N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine",""],["S4D","(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine","C14 H19 N O2","c1cc(cc2c1OCO2)CNC3CC(C)CC3;C[CH]1CC[CH](C1)NCc2ccc3OCOc3c2;CC1CCC(C1)NCc2ccc3c(c2)OCO3","InChI=1S/C14H19NO2/c1-10-2-4-12(6-10)15-8-11-3-5-13-14(7-11)17-9-16-13/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3","","2020-03-04","2020-04-17","(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine","2020-04-22"],["S4E","N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine","C24 H30 N6 O3","COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5;COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5","InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30)","~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine","2020-11-06","2021-03-01","~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine","2021-03-03"],["0DV","(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod\nicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside","C26 H42 O8","O(C3C1=C(C(C)C)CCC1(C=C2C(CO)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO;CC(C)C1=C2[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](C)[CH]4CC[CH](CO)C4=C[C]2(C)CC1;CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C(C(C(O4)CO)O)O)O)C(C)C)C)CO","InChI=1S/C26H42O8/c1-12(2)15-7-8-26(4)9-17-14(10-27)5-6-16(17)13(3)20(29)24(19(15)26)34-25-23(32)22(31)21(30)18(11-28)33-25/h9,12-14,16,18,20-25,27-32H,5-8,10-11H2,1-4H3/b17-9-/t13-,14-,16+,18-,20-,21+,22-,23-,24-,25-,26-/m1/s1","Fusicoccin H","2011-12-17","2020-06-17","(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside","2012-12-28"],["0DX","4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","C44 H66 N10 O6","O=C6c2c5c3c(c(NCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCN4CCN(C)CC4)c5C(=O)N6CCCN7CCOCC7)CCCN8CCOCC8;CN1CCN(CCCNc2cc3C(=O)N(CCCN4CCOCC4)C(=O)c5c(NCCCN6CCN(C)CC6)cc7C(=O)N(CCCN8CCOCC8)C(=O)c2c7c35)CC1;CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8","InChI=1S/C44H66N10O6/c1-47-15-19-49(20-16-47)9-3-7-45-35-31-33-38-37-34(42(56)53(43(57)39(35)37)13-5-11-51-23-27-59-28-24-51)32-36(46-8-4-10-50-21-17-48(2)18-22-50)40(38)44(58)54(41(33)55)14-6-12-52-25-29-60-30-26-52/h31-32,45-46H,3-30H2,1-2H3","","2011-12-19","2012-12-28","4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","2012-12-28"],["S4F","3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid","C12 H17 Cl N4 O2","O=C(O)CCC1CCCN(C1)c1ncnc(N)c1Cl;Nc1ncnc(N2CCC[CH](CCC(O)=O)C2)c1Cl;c1nc(c(c(n1)N2CCCC(C2)CCC(=O)O)Cl)N","InChI=1S/C12H17ClN4O2/c13-10-11(14)15-7-16-12(10)17-5-1-2-8(6-17)3-4-9(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,16)/t8-/m1/s1","","2022-06-23","2022-07-08","3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid","2022-07-13"],["0DY","N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide","C18 H27 N5 O5","O=C(NO)C(C(=O)NC(C(=O)NCc1cc(N)ccc1)CC(=O)N)CC(C)C;CC(C)C[CH](C(=O)NO)C(=O)N[CH](CC(N)=O)C(=O)NCc1cccc(N)c1","InChI=1S/C18H27N5O5/c1-10(2)6-13(17(26)23-28)16(25)22-14(8-15(20)24)18(27)21-9-11-4-3-5-12(19)7-11/h3-5,7,10,13-14,28H,6,8-9,19H2,1-2H3,(H2,20,24)(H,21,27)(H,22,25)(H,23,26)/t13-,14-/m0/s1","HONH-iBM-Asn-NHBn(m-NH2)","2008-11-07","2020-06-17","N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide",""],["S4G","2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)","C10 H14 N5 O6 P S","O=C1c2ncn(c2N=C(N)N1)C3SC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)S3;c1nc2c(n1C3CC(C(S3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(23-6)2-21-22(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2007-11-28","2011-06-04","2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)",""],["0E0","(3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one","C16 H19 N O3","O=C2c1c(cccc1)C3=C(N2)CC(OC3)C(C)(C)CO;CC(C)(CO)[CH]1CC2=C(CO1)c3ccccc3C(=O)N2;CC(C)(CO)C1CC2=C(CO1)c3ccccc3C(=O)N2","InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)/t14-/m1/s1","","2012-08-01","2015-08-07","(3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one","2015-08-12"],["S4H","trithiosulfurous acid","H2 S4","S[S](S)=S;SS(=S)S","InChI=1S/H2S4/c1-4(2)3/h(H2,1,2,3)","","2009-11-18","2011-06-04","",""],["S4I","1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-1,5-dihydro-2H-pyrrol-2-one","C11 H10 Cl N O3","Clc1ccc(CN2CC(O)=C(O)C2=O)cc1;OC1=C(O)C(=O)N(C1)Cc2ccc(Cl)cc2;c1cc(ccc1CN2CC(=C(C2=O)O)O)Cl","InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,14-15H,5-6H2","","2023-05-09","2025-07-25","1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-1,5-dihydro-2H-pyrrol-2-one","2023-06-14"],["0E1","(7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile","C12 H14 N2 O2","N#Cc1cc2c(nc1O)CC(OC2)C(C)C;CC(C)[CH]1Cc2nc(O)c(cc2CO1)C#N;CC(C)C1Cc2c(cc(c(n2)O)C#N)CO1","InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)/t11-/m1/s1","","2012-08-01","2015-08-07","(7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile","2015-08-12"],["S4K","1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide","C31 H23 F2 N5 O3","CN1N(C(=O)C(=C1C)C(=O)Nc2ccc(Oc3ccnc4[nH]cc(c5ccccc5)c34)c(F)c2)c6ccc(F)cc6;CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6","InChI=1S/C31H23F2N5O3/c1-18-27(31(40)38(37(18)2)22-11-8-20(32)9-12-22)30(39)36-21-10-13-25(24(33)16-21)41-26-14-15-34-29-28(26)23(17-35-29)19-6-4-3-5-7-19/h3-17H,1-2H3,(H,34,35)(H,36,39)","~{N}-[3-fluoranyl-4-[(3-phenyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazole-4-carboxamide; N-(3-fluoro-4-((3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-2-(4-fluorophenyl)-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide","2020-11-06","2021-02-26","~{N}-[3-fluoranyl-4-[(3-phenyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazole-4-carboxamide","2021-03-03"],["0E5","(2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid","C6 H13 N O3","O=C(O)C(N)C(O)(C)CC;CC[C](C)(O)[CH](N)C(O)=O;CCC(C)(C(C(=O)O)N)O","InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1","","2011-12-22","2024-09-27","(2S,3S)-2-amino-3-hydroxy-3-methylpentanoic acid (non-preferred name)",""],["0E6","amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met\nhaniminium","C25 H33 Cl N5 O5","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)CCl)COCc2ccccc2)CCCNC(=[NH2+])N;NC(=[NH2+])NCCC[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](COCc2ccccc2)C(=O)CCl;c1ccc(cc1)COCC(C(=O)CCl)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2","InChI=1S/C25H32ClN5O5/c26-14-22(32)21(17-35-15-18-8-3-1-4-9-18)30-23(33)20(12-7-13-29-24(27)28)31-25(34)36-16-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,30,33)(H,31,34)(H4,27,28,29)/p+1/t20-,21-/m0/s1","benzyloxycarbonyl-Arg-Ser(O-Bzl) chloromethylketone","2008-11-07","2024-09-27","amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}methaniminium",""],["S4L","(1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H35 N3 O8 S","O=C(OCc1ccccc1)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)OCc3ccccc3)[S](O)(=O)=O;c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)NC(CC3CCNC3=O)C(O)S(=O)(=O)O","InChI=1S/C24H35N3O8S/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-20,23,30H,1,3-4,7-8,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t18-,19-,20-,23-/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-05-04"],["0E7","methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate","C28 H38 N6 O6","O=C(NC(C(=O)NC(C(=O)NC(C(=O)OC)Cc1ccccc1)C(O)C)Cc2ccccc2)CCCNC(=[N@H])N;COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)CCCNC(N)=N)[CH](C)O;CC(C(C(=O)NC(Cc1ccccc1)C(=O)OC)NC(=O)C(Cc2ccccc2)NC(=O)CCCNC(=N)N)O","InChI=1S/C28H38N6O6/c1-18(35)24(26(38)33-22(27(39)40-2)17-20-12-7-4-8-13-20)34-25(37)21(16-19-10-5-3-6-11-19)32-23(36)14-9-15-31-28(29)30/h3-8,10-13,18,21-22,24,35H,9,14-17H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H4,29,30,31)/t18-,21-,22-,24-/m0/s1","BMS-183507","2008-09-14","2020-06-17","methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate",""],["S4M","5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE","C14 H24 N6 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS(CCCN)C)N;C[SH](CCCN)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CS(CCCN)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H24N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22,24H,2-5,15H2,1H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1","","2006-11-29","2011-06-04","5'-[(S)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine",""],["S4N","(R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine","C24 H32 F2 N6 O2","C[CH]1CN(CCN1)c2cnc(Nc3cc(F)c(OCC4CC4)c(F)c3)nc2NC5CCOCC5;CC1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F","InChI=1S/C24H32F2N6O2/c1-15-13-32(7-6-27-15)21-12-28-24(31-23(21)29-17-4-8-33-9-5-17)30-18-10-19(25)22(20(26)11-18)34-14-16-2-3-16/h10-12,15-17,27H,2-9,13-14H2,1H3,(H2,28,29,30,31)/t15-/m1/s1","~{N}2-[4-(cyclopropylmethoxy)-3,5-bis(fluoranyl)phenyl]-5-[(3~{R})-3-methylpiperazin-1-yl]-~{N}4-(oxan-4-yl)pyrimidine-2,4-diamine","2020-11-06","2021-03-13","~{N}2-[4-(cyclopropylmethoxy)-3,5-bis(fluoranyl)phenyl]-5-[(3~{R})-3-methylpiperazin-1-yl]-~{N}4-(oxan-4-yl)pyrimidine-2,4-diamine","2021-03-03"],["0E8","di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate","C30 H45 N3 O6","O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNCC(O)C(NC(=O)OC(C)(C)C)Cc2ccccc2;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)[CH](O)CNC[CH](O)[CH](Cc2ccccc2)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CNCC(C(Cc2ccccc2)NC(=O)OC(C)(C)C)O)O","InChI=1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1","BMS-182193","2008-11-06","2020-06-17","di-tert-butyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate",""],["0E9","benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate","C43 H52 N4 O7","O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)C(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)Cc4ccccc4)C(C)C;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)OCc4ccccc4)C(C)C","InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1","A-74704","2008-11-07","2021-03-01","benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name)",""],["S4O","4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one","C13 H13 N3 O5","OC=1C=C(OC(=O)C=1)C(=O)N1Cc2n(C)nc(O)c2CC1;Cn1nc(O)c2CCN(Cc12)C(=O)C3=CC(=CC(=O)O3)O;Cn1c2c(c(n1)O)CCN(C2)C(=O)C3=CC(=CC(=O)O3)O","InChI=1S/C13H13N3O5/c1-15-9-6-16(3-2-8(9)12(19)14-15)13(20)10-4-7(17)5-11(18)21-10/h4-5,17H,2-3,6H2,1H3,(H,14,19)","","2022-06-23","2022-07-08","4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one","2022-07-13"],["0EA","(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine","C10 H13 N O5","O=C(O)C(NC)C(O)c1cc(O)c(O)cc1;CN[CH]([CH](O)c1ccc(O)c(O)c1)C(O)=O;CNC(C(c1ccc(c(c1)O)O)O)C(=O)O","InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1","","2011-12-22","2024-09-27","(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine",""],["S4P","Dihydrogen tetrasulfide","H2 S4","SSSS;SSSS","InChI=1S/H2S4/c1-3-4-2/h1-2H","Tetrasulfane","2016-06-10","2024-09-27","","2018-11-21"],["S4Q","2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine","C18 H19 F2 N5 O","CNc1nc(OC2CCCC2)nc3n(Cc4c(F)cccc4F)cnc13;CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F","InChI=1S/C18H19F2N5O/c1-21-16-15-17(24-18(23-16)26-11-5-2-3-6-11)25(10-22-15)9-12-13(19)7-4-8-14(12)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,23,24)","9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentyloxy-~{N}-methyl-purin-6-amine","2020-11-06","2021-03-13","9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentyloxy-~{N}-methyl-purin-6-amine","2021-03-03"],["0EC","6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine","C14 H19 N5 O2","n1c(N)c3c(nc1N2CCNCC2)cc(OC)c(OC)c3;COc1cc2nc(nc(N)c2cc1OC)N3CCNCC3;COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3","InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)","","2012-08-02","2012-08-24","6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine","2012-08-24"],["0ED","N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide","C33 H47 N5 O7","O=C(O)C(NC(C(=O)NC(C(=O)NCCN1CCOCC1)Cc2ccccc2)CC(C)C)CCNC(=O)OCc3ccccc3;CC(C)C[CH](N[CH](CCNC(=O)OCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2ccccc2)C(=O)NCCN3CCOCC3","InChI=1S/C33H47N5O7/c1-24(2)21-28(36-27(32(41)42)13-14-35-33(43)45-23-26-11-7-4-8-12-26)31(40)37-29(22-25-9-5-3-6-10-25)30(39)34-15-16-38-17-19-44-20-18-38/h3-12,24,27-29,36H,13-23H2,1-2H3,(H,34,39)(H,35,43)(H,37,40)(H,41,42)/t27-,28+,29+/m1/s1","","2008-11-12","2011-07-13","N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide",""],["S4R","Itacitinib","C26 H23 F4 N9 O","Fc1c(ccnc1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)n4cc(cn4)c5ncnc6[nH]ccc56;c1c[nH]c2c1c(ncn2)c3cnn(c3)C4(CN(C4)C5CCN(CC5)C(=O)c6ccnc(c6F)C(F)(F)F)CC#N","InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)","2-[1-[1-[3-fluoranyl-2-(trifluoromethyl)pyridin-4-yl]carbonylpiperidin-4-yl]-3-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]ethanenitrile","2022-12-13","2023-12-15","2-[1-[1-[3-fluoranyl-2-(trifluoromethyl)pyridin-4-yl]carbonylpiperidin-4-yl]-3-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]ethanenitrile","2023-12-20"],["S4T","N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide","C29 H27 F3 N8 O3","FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)ccc1CN5CCn6ccnc6C5;c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6","InChI=1S/C29H27F3N8O3/c30-29(31,32)23-13-21(4-3-19(23)15-39-11-12-40-10-9-33-25(40)16-39)37-28(42)36-20-5-7-22(8-6-20)43-26-14-24(34-17-35-26)38-27(41)18-1-2-18/h3-10,13-14,17-18H,1-2,11-12,15-16H2,(H2,36,37,42)(H,34,35,38,41)","~{N}-[6-[4-[[4-(6,8-dihydro-5~{H}-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide","2020-11-06","2021-03-13","~{N}-[6-[4-[[4-(6,8-dihydro-5~{H}-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide","2021-03-03"],["0EF","N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide","C22 H32 N4 O6","O=C(NC(NC(=O)O)Cc1ccccc1)C2N(C(=O)C(NC(=O)OC(C)(C)C)C)CCC2;C[CH](NC(=O)OC(C)(C)C)C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)NC(O)=O;CC(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C","InChI=1S/C22H32N4O6/c1-14(23-21(31)32-22(2,3)4)19(28)26-12-8-11-16(26)18(27)24-17(25-20(29)30)13-15-9-6-5-7-10-15/h5-7,9-10,14,16-17,25H,8,11-13H2,1-4H3,(H,23,31)(H,24,27)(H,29,30)/t14-,16-,17+/m0/s1","N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOYL HYDROXYLAMINE","2008-10-27","2024-09-27","N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide",""],["0EG","N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide","C17 H32 B N3 O6","O=C(NC(B(O)O)C(C)C)C1N(C(=O)C(NC(=O)OC(C)(C)C)C)CCC1;CC(C)[CH](NC(=O)[CH]1CCCN1C(=O)[CH](C)NC(=O)OC(C)(C)C)B(O)O","InChI=1S/C17H32BN3O6/c1-10(2)13(18(25)26)20-14(22)12-8-7-9-21(12)15(23)11(3)19-16(24)27-17(4,5)6/h10-13,25-26H,7-9H2,1-6H3,(H,19,24)(H,20,22)/t11-,12-,13-/m0/s1","N-tert-butyloxycarbonylalanylprolylvaline boronic acid","2008-09-14","2024-09-27","N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide",""],["S4U","4-THIOURIDINE-5'-PHOSPHATE","C9 H13 N2 O8 P S","S=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=S)NC2=O;C1=CN(C(=O)NC1=S)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1/f/h10,15-16H","","1999-07-08","2009-01-07","1-(5-O-phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1H)-one",""],["0EH","(2R)-2-amino-2-methylnonanoic acid","C10 H21 N O2","O=C(O)C(N)(CCCCCCC)C;CCCCCCC[C](C)(N)C(O)=O;CCCCCCCC(C)(C(=O)O)N","InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1","","2011-12-26","2024-09-27","(2R)-2-amino-2-methylnonanoic acid",""],["S4V","~{N}2-pyridin-2-ylbenzene-1,2-diamine","C11 H11 N3","Nc1ccccc1Nc2ccccn2;c1ccc(c(c1)N)Nc2ccccn2","InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)","","2020-03-04","2020-04-17","~{N}2-pyridin-2-ylbenzene-1,2-diamine","2020-04-22"],["S4W","5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine","C23 H18 Cl N5 O","CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4)c5ccccc5Cl;CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl","InChI=1S/C23H18ClN5O/c1-28(14-16-6-11-21-25-12-13-29(21)15-16)23-27-26-22(30-23)18-9-7-17(8-10-18)19-4-2-3-5-20(19)24/h2-13,15H,14H2,1H3","5-[4-(2-chlorophenyl)phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine","2020-11-06","2021-03-13","5-[4-(2-chlorophenyl)phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine","2021-03-03"],["0EI","4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide","C36 H37 F N8 O S","CSc1nc(c2ccc(F)cc2)c(n1C)c3ccnc(Nc4ccc5N=Nc6ccc(NC(=O)CCCN(C)C)cc6CCc5c4)c3;Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc5c(c4)CCc6cc(ccc6N=N5)NC(=O)CCCN(C)C","InChI=1S/C36H37FN8OS/c1-44(2)19-5-6-33(46)40-29-14-16-31-25(21-29)8-7-24-20-28(13-15-30(24)42-43-31)39-32-22-26(17-18-38-32)35-34(41-36(47-4)45(35)3)23-9-11-27(37)12-10-23/h9-18,20-22H,5-8,19H2,1-4H3,(H,38,39)(H,40,46)/b43-42-","","2021-06-05","2021-07-16","4-(dimethylamino)-~{N}-[(5~{Z})-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide","2021-07-21"],["S4X","(4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C31 H33 Cl N4 O3","OC12CC3CC(CC(C3)(C2)NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccccc32)C1;OC12C[CH]3C[CH](C1)CC(C3)(C2)NC(=O)CN4C[CH](C(=O)Nc5cncc6ccccc56)c7cc(Cl)ccc7C4;c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)NC56CC7CC(C5)CC(C7)(C6)O","InChI=1S/C31H33ClN4O3/c32-23-6-5-22-15-36(17-28(37)35-30-9-19-7-20(10-30)12-31(39,11-19)18-30)16-26(25(22)8-23)29(38)34-27-14-33-13-21-3-1-2-4-24(21)27/h1-6,8,13-14,19-20,26,39H,7,9-12,15-18H2,(H,34,38)(H,35,37)/t19-,20+,26-,30+,31-/m1/s1","","2023-08-22","2023-11-03","(4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["0EJ","(2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid","C8 H20 O25 P6","O=P(O)(O)CC(=O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;O[P](O)(=O)CC(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(C(=O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O","InChI=1S/C8H20O25P6/c9-2(1-34(10,11)12)28-3-4(29-35(13,14)15)6(31-37(19,20)21)8(33-39(25,26)27)7(32-38(22,23)24)5(3)30-36(16,17)18/h3-8H,1H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t3-,4-,5+,6+,7-,8+","","2012-08-03","2013-12-18","(2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid",""],["0EK","6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine","C50 H77 N9 O9","O=C(O)C(NC(=O)C(NC(=O)N(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2cnc[nH+]2)CC3CCCCC3)CCCC[NH3+])Cc4ccccc4;CC(C)CN(C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2c[nH]c[nH+]2)NC(=O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[CH](CCCC[NH3+])C(=O)N[CH](Cc4ccccc4)C(O)=O","InChI=1S/C50H75N9O9/c1-33(2)30-59(48(66)57-38(23-15-16-24-51)44(61)56-42(47(64)65)27-36-21-13-8-14-22-36)31-43(60)39(25-34-17-9-6-10-18-34)54-46(63)41(28-37-29-52-32-53-37)55-45(62)40(26-35-19-11-7-12-20-35)58-49(67)68-50(3,4)5/h7-8,11-14,19-22,29,32-34,38-43,60H,6,9-10,15-18,23-28,30-31,51H2,1-5H3,(H,52,53)(H,54,63)(H,55,62)(H,56,61)(H,57,66)(H,58,67)(H,64,65)/p+2/t38-,39-,40-,41-,42-,43-/m0/s1","CP-69,799","2008-09-14","2021-03-13","6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine",""],["S4Y","(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide","C11 H13 Cl N2 O2","c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2;NNC(=O)[CH]1CC[CH](O1)c2ccc(Cl)cc2;c1cc(ccc1C2CCC(O2)C(=O)NN)Cl","InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15)","","2020-03-04","2020-04-17","(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide","2020-04-22"],["S4Z","2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide","C20 H18 Cl F3 N6 O2 S","CNC(=O)c1sc(nc1C(F)(F)F)N2CC3CC2(CNC(=O)c4c[nH]c5ncc(Cl)cc45)C3;CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F","InChI=1S/C20H18ClF3N6O2S/c1-25-17(32)13-14(20(22,23)24)29-18(33-13)30-7-9-3-19(30,4-9)8-28-16(31)12-6-27-15-11(12)2-10(21)5-26-15/h2,5-6,9H,3-4,7-8H2,1H3,(H,25,32)(H,26,27)(H,28,31)/t9-,19+","2-[1-[[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonylamino]methyl]-2-azabicyclo[2.1.1]hexan-2-yl]-~{N}-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide","2020-11-06","2021-03-13","2-[1-[[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonylamino]methyl]-2-azabicyclo[2.1.1]hexan-2-yl]-~{N}-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide","2021-03-03"],["0EL","6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine","C51 H78 N8 O9","O=C(O)C(NC(=O)C(NC(=O)C(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2cnc[nH+]2)CC3CCCCC3)CCCC[NH3+])Cc4ccccc4;CC(C)C[CH](C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2c[nH]c[nH+]2)NC(=O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[CH](CCCC[NH3+])C(=O)NC(Cc4ccccc4)C(O)=O","InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/p+2/t37-,39+,40+,41+,42+,43?,44+/m1/s1","","2009-01-12","2011-07-13","6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine",""],["S50","1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide","C16 H19 N5 O2 S","O=S(=O)(Nc1cc2cc[NH]c2nc1)c1cc(C)nn1C1CCCC1;Cc1cc(n(n1)C2CCCC2)[S](=O)(=O)Nc3cnc4[nH]ccc4c3;Cc1cc(n(n1)C2CCCC2)S(=O)(=O)Nc3cc4cc[nH]c4nc3","InChI=1S/C16H19N5O2S/c1-11-8-15(21(19-11)14-4-2-3-5-14)24(22,23)20-13-9-12-6-7-17-16(12)18-10-13/h6-10,14,20H,2-5H2,1H3,(H,17,18)","","2022-06-23","2022-07-08","1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide","2022-07-13"],["0EM","N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide","C32 H52 N6 O7 P","O=C(NCC(C)CC)CP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2cnc[nH+]2)CC(C)C;CC[CH](C)CNC(=O)C[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](Cc1c[nH]c[nH+]1)NC(=O)[CH](Cc2ccccc2)NC(=O)OC(C)(C)C","InChI=1S/C32H51N6O7P/c1-8-22(4)17-34-27(39)19-46(43,44)28(14-21(2)3)38-30(41)26(16-24-18-33-20-35-24)36-29(40)25(15-23-12-10-9-11-13-23)37-31(42)45-32(5,6)7/h9-13,18,20-22,25-26,28H,8,14-17,19H2,1-7H3,(H,33,35)(H,34,39)(H,36,40)(H,37,42)(H,38,41)(H,43,44)/p+1/t22-,25-,26-,28+/m0/s1","PD-130,328","2008-09-14","2021-03-13","N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide",""],["S51","2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole","C26 H25 N3 O","O=C(c3c1ccccc1n(c2ccccc2)c3Cc4ccccc4)N5CCNCC5;O=C(N1CCNCC1)c2c(Cc3ccccc3)n(c4ccccc4)c5ccccc25;c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5","InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2","(2-Benzyl-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone","2010-09-03","2020-06-17","(2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone",""],["0EN","N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide","C26 H31 N3 O3","O=C(N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C)c3occc3;CC(C)(C)NC(=O)[CH](N(C(=O)c1occc1)c2ccc(cc2)C(C)(C)C)c3cccnc3;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3","InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1","","2011-12-27","2013-01-11","N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide","2013-01-11"],["0EO","(2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]\n-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid","C34 H55 N3 O8","O=C(O)C(NC(=O)CC(O)C(NC(=O)CCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)CC2CCCCC2)CC(C)C;CC(C)C[CH](NC(=O)C[CH](O)[CH](CC1CCCCC1)NC(=O)CC[CH](O)[CH](Cc2ccccc2)NC(=O)OC(C)(C)C)C(O)=O;CC(C)CC(C(=O)O)NC(=O)CC(C(CC1CCCCC1)NC(=O)CCC(C(Cc2ccccc2)NC(=O)OC(C)(C)C)O)O","InChI=1S/C34H55N3O8/c1-22(2)18-27(32(42)43)36-31(41)21-29(39)26(20-24-14-10-7-11-15-24)35-30(40)17-16-28(38)25(19-23-12-8-6-9-13-23)37-33(44)45-34(3,4)5/h6,8-9,12-13,22,24-29,38-39H,7,10-11,14-21H2,1-5H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t25-,26-,27-,28-,29-/m0/s1","PD125754","2008-09-14","2020-06-17","(6S,7S,12S,13S,17S)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid (non-preferred name)",""],["S52","2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole","C25 H23 N3 O2","O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5;O=C(N1CCNCC1)c2c(Oc3ccccc3)n(c4ccccc4)c5ccccc25;c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5","InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2","(2-Phenoxy-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone","2010-09-10","2020-06-17","(2-phenoxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone",""],["S53","[7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone","C32 H29 F N4 O2","O=C(c4c1ccnc(c1n(c2ccccc2)c4Oc3cc(F)ccc3C)Cc5ccccc5)N6CCNCC6;Cc1ccc(F)cc1Oc2n(c3ccccc3)c4c(Cc5ccccc5)nccc4c2C(=O)N6CCNCC6;Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F","InChI=1S/C32H29FN4O2/c1-22-12-13-24(33)21-28(22)39-32-29(31(38)36-18-16-34-17-19-36)26-14-15-35-27(20-23-8-4-2-5-9-23)30(26)37(32)25-10-6-3-7-11-25/h2-15,21,34H,16-20H2,1H3","","2011-06-20","2011-08-26","[7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone",""],["0ER","methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate","C16 H14 O7","COC(=O)c1c(O)c(C)cc(O)c1C(=O)c2c(O)cccc2O;Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O","InChI=1S/C16H14O7/c1-7-6-10(19)12(13(14(7)20)16(22)23-2)15(21)11-8(17)4-3-5-9(11)18/h3-6,17-20H,1-2H3","","2021-06-09","2022-04-15","methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate","2022-04-20"],["S54","N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","C25 H33 N5 O4 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)C(C)C)CCC3;CC(C)[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;CC(C)C(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3","InChI=1S/C25H33N5O4S/c1-17(2)22(29-35(33,34)16-19-7-4-3-5-8-19)25(32)30-14-6-9-21(30)24(31)28-15-18-10-12-20(13-11-18)23(26)27/h3-5,7-8,10-13,17,21-22,29H,6,9,14-16H2,1-2H3,(H3,26,27)(H,28,31)/t21-,22+/m0/s1","","2011-04-25","2012-04-20","N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide",""],["0ET","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2R)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate","C32 H58 N7 O17 P3 S","O=C(NCCSCC(O)CCCCCCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCCCCCCCC[CH](O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCC(CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O","InChI=1S/C32H58N7O17P3S/c1-4-5-6-7-8-9-10-11-21(40)17-60-15-14-34-23(41)12-13-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-16-22-26(55-57(45,46)47)25(42)31(54-22)39-20-38-24-28(33)36-19-37-29(24)39/h19-22,25-27,31,40,42-43H,4-18H2,1-3H3,(H,34,41)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,22-,25-,26-,27+,31-/m1/s1","undecan-2-one-CoA","2012-08-08","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxyundecyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2012-08-24"],["0EU","1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea","C27 H36 N4 O4 S","O=C1OC(C)(C)CC12CCCN(C2)C5CCN(C(=O)c3c4ccccc4sc3NC(=O)NCC)CC5;CCNC(=O)Nc1sc2ccccc2c1C(=O)N3CCC(CC3)N4CCC[C]5(C4)CC(C)(C)OC5=O;CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)N4CCCC5(C4)CC(OC5=O)(C)C","InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1","","2011-08-24","2011-10-07","1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea",""],["S55","METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE","C27 H36 N2 O9","O=C(OC)C2=COC(OC1OC(C(O)C(O)C1O)CO)C(CC)C2CC5c4nc3ccccc3c4CCN5;CC[CH]1[CH](C[CH]2NCCc3c2[nH]c4ccccc34)C(=CO[CH]1O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(=O)OC;CCC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC3c4c(c5ccccc5[nH]4)CCN3","InChI=1S/C27H36N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h4-7,12-13,16,19-20,22-24,26-33H,3,8-11H2,1-2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1","","2007-01-26","2011-06-04","methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate",""],["S56","(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide","C28 H30 N6 O3","O=C(C(C#N)Cc3c(c2ccc(Oc1ccccc1)cc2)c4c(n3CCOC)ncnc4N)NC(C)C;COCCn1c(C[CH](C#N)C(=O)NC(C)C)c(c2ccc(Oc3ccccc3)cc2)c4c(N)ncnc14;CC(C)NC(=O)C(Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N","InChI=1S/C28H30N6O3/c1-18(2)33-28(35)20(16-29)15-23-24(25-26(30)31-17-32-27(25)34(23)13-14-36-3)19-9-11-22(12-10-19)37-21-7-5-4-6-8-21/h4-12,17-18,20H,13-15H2,1-3H3,(H,33,35)(H2,30,31,32)/t20-/m0/s1","Rao-IV-156, bound form","2016-09-28","2024-09-27","(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide","2017-09-27"],["0EV","4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C26 H32 N6 O","O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=CN3)CCNCC5CCCCC5;O=C1NC=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCCc5ccccc5)nc4cc12;c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O","InChI=1S/C26H32N6O/c33-25-21-15-22-24(32-26(31-22)28-14-11-18-7-3-1-4-8-18)20(23(21)29-17-30-25)12-13-27-16-19-9-5-2-6-10-19/h1,3-4,7-8,15,17,19,27H,2,5-6,9-14,16H2,(H2,28,31,32)(H,29,30,33)","","2012-08-09","2013-08-30","4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-09-04"],["0EW","N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide","C22 H22 F4 N4 O5 S","CCS(=O)(=O)C1(C)CCC(CF)(N=C1N)c1cc(ccc1F)NC(=O)c1cc2OC(F)(F)Oc2cn1;CC[S](=O)(=O)[C]1(C)CC[C](CF)(N=C1N)c2cc(NC(=O)c3cc4OC(F)(F)Oc4cn3)ccc2F;CCS(=O)(=O)C1(CCC(N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C","InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1","","2021-06-08","2021-10-01","N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide","2021-10-06"],["S57","1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE","C16 H21 Cl N2 O2","Clc2cc(OC)ccc2OCCCCCCn1ccnc1;COc1ccc(OCCCCCCn2ccnc2)c(Cl)c1;COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2","InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3","","1999-07-08","2011-06-04","1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1H-imidazole",""],["S58","1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE","C16 H11 Br F3 N3 O2 S","O=S(=O)(c3ccc(n1nc(cc1c2ccc(Br)cc2)C(F)(F)F)cc3)N;N[S](=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Br)cc3)C(F)(F)F;c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br","InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)","","1999-07-08","2011-06-04","4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide",""],["0EX","6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C26 H27 N7 O","O=C2c3cc1nc(nc1c(c3N=C(N)N2)CCNCc4ccccc4)NCCc5ccccc5;NC1=Nc2c(CCNCc3ccccc3)c4nc(NCCc5ccccc5)[nH]c4cc2C(=O)N1;c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N","InChI=1S/C26H27N7O/c27-25-31-22-19(12-13-28-16-18-9-5-2-6-10-18)23-21(15-20(22)24(34)33-25)30-26(32-23)29-14-11-17-7-3-1-4-8-17/h1-10,15,28H,11-14,16H2,(H2,29,30,32)(H3,27,31,33,34)","","2012-08-10","2013-08-30","6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","2013-09-04"],["S59","Ilginatinib","C21 H20 F N7","C[CH](Nc1cc(cc(Nc2cnccn2)n1)c3cnn(C)c3)c4ccc(F)cc4;CC(c1ccc(cc1)F)Nc2cc(cc(n2)Nc3cnccn3)c4cnn(c4)C","InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1","~{N}6-[(1~{S})-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-~{N}2-pyrazin-2-yl-pyridine-2,6-diamine","2022-12-13","2023-12-15","~{N}6-[(1~{S})-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-~{N}2-pyrazin-2-yl-pyridine-2,6-diamine","2023-12-20"],["0EY","1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine","C12 H15 N5 O6","O=C1C=CN(C(=O)N1)Cc2nnn(c2)C3OC(C(O)C3O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)n2cc(CN3C=CC(=O)NC3=O)nn2;c1c(nnn1C2C(C(C(O2)CO)O)O)CN3C=CC(=O)NC3=O","InChI=1S/C12H15N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1-2,4,7,9-11,18,20-21H,3,5H2,(H,13,19,22)/t7-,9-,10+,11+/m0/s1","","2012-08-10","2012-11-16","1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine","2012-11-16"],["0EZ","tert-butyl [(1S,2S)-1-benzyl-2-hydroxy-3-{[(8S,11R)-8-[(1R)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate","C33 H48 N4 O6","O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC;CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C;CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O","InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1","","2008-09-14","2012-07-19","tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["S5A","3-[4-(4-hydroxyphenyl)phenyl]propanoic acid","C15 H14 O3","OC(=O)CCc1ccc(cc1)c2ccc(O)cc2;c1cc(ccc1CCC(=O)O)c2ccc(cc2)O","InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)","","2020-03-04","2020-04-17","3-[4-(4-hydroxyphenyl)phenyl]propanoic acid","2020-04-22"],["0F0","3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide","C28 H29 N7 O2","O=C(Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nc(ccn3)c4cccnc4)CCCN(C)C;CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)cc2;CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4","InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)","","2011-12-28","2024-09-27","3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide",""],["S5B","4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid","C25 H25 N3 O3","O=C(O)c3cnc1cc(ccc1c3Nc2ccccc2C(C)(C)C)c4c(onc4C)C;Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(cnc3c2)C(O)=O;Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O","InChI=1S/C25H25N3O3/c1-14-22(15(2)31-28-14)16-10-11-17-21(12-16)26-13-18(24(29)30)23(17)27-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H,26,27)(H,29,30)","","2012-02-26","2014-09-05","4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid",""],["S5D","(R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine","C22 H27 N5","n1c(N)cc(cc1CCc2cccc(c2)C(N)Cc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cccc(c2)[CH](N)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)N","InChI=1S/C22H27N5/c1-14-8-18(26-21(24)10-14)7-6-16-4-3-5-17(12-16)20(23)13-19-9-15(2)11-22(25)27-19/h3-5,8-12,20H,6-7,13,23H2,1-2H3,(H2,24,26)(H2,25,27)/t20-/m1/s1","","2014-03-17","2014-05-02","6-[(2R)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine","2014-05-07"],["0F1","3,6-dichloro-1-benzothiophene-2-carboxylic acid","C9 H4 Cl2 O2 S","O=C(O)c2sc1cc(Cl)ccc1c2Cl;OC(=O)c1sc2cc(Cl)ccc2c1Cl;c1cc2c(cc1Cl)sc(c2Cl)C(=O)O","InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)","","2011-12-30","2013-01-11","3,6-dichloro-1-benzothiophene-2-carboxylic acid","2013-01-11"],["S5E","3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide","C29 H29 F3 N6 O4 S","CNC(=O)C[CH](NC(=O)[CH](CCc1ccccc1)NC(=O)c2c(C)noc2c3snnc3C)c4ccc(cc4)C(F)(F)F;Cc1c(c(on1)c2c(nns2)C)C(=O)NC(CCc3ccccc3)C(=O)NC(CC(=O)NC)c4ccc(cc4)C(F)(F)F","InChI=1S/C29H29F3N6O4S/c1-16-24(25(42-37-16)26-17(2)36-38-43-26)28(41)34-21(14-9-18-7-5-4-6-8-18)27(40)35-22(15-23(39)33-3)19-10-12-20(13-11-19)29(30,31)32/h4-8,10-13,21-22H,9,14-15H2,1-3H3,(H,33,39)(H,34,41)(H,35,40)/t21-,22-/m1/s1","3-methyl-~{N}-[(2~{R})-1-[[(1~{R})-3-(methylamino)-3-oxidanylidene-1-[4-(trifluoromethyl)phenyl]propyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazole-4-carboxamide","2020-11-06","2021-03-13","3-methyl-~{N}-[(2~{R})-1-[[(1~{R})-3-(methylamino)-3-oxidanylidene-1-[4-(trifluoromethyl)phenyl]propyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazole-4-carboxamide","2021-03-03"],["0F2","3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol","C24 H30 N4 O3 S","CCC(O)(CC)c1cc2[nH]c(cc2c(OCCN3CCOCC3)c1)c4n[nH]c5ccsc45;CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O","InChI=1S/C24H30N4O3S/c1-3-24(29,4-2)16-13-19-17(21(14-16)31-11-8-28-6-9-30-10-7-28)15-20(25-19)22-23-18(26-27-22)5-12-32-23/h5,12-15,25,29H,3-4,6-11H2,1-2H3,(H,26,27)","","2011-12-30","2020-02-12","3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol",""],["0F3","4-(sulfamoylamino)benzenesulfonamide","C6 H9 N3 O4 S2","O=S(=O)(N)c1ccc(NS(=O)(=O)N)cc1;N[S](=O)(=O)Nc1ccc(cc1)[S](N)(=O)=O;c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N","InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)","","2012-01-03","2012-07-20","4-(sulfamoylamino)benzenesulfonamide",""],["S5F","6-chloro-4-{(8S)-8-[(4H-1,2,4-triazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl}pyrimidin-2(1H)-one","C14 H17 Cl N6 O","ClC1=CC(=NC(=O)N1)N1CC(Cn2cnnc2)C2(CCC2)C1;ClC1=CC(=NC(=O)N1)N2C[CH](Cn3cnnc3)C4(CCC4)C2;c1nncn1CC2CN(CC23CCC3)C4=NC(=O)NC(=C4)Cl","InChI=1S/C14H17ClN6O/c15-11-4-12(19-13(22)18-11)21-6-10(5-20-8-16-17-9-20)14(7-21)2-1-3-14/h4,8-10H,1-3,5-7H2,(H,18,19,22)/t10-/m0/s1","","2022-06-23","2022-07-08","6-chloro-4-{(8S)-8-[(4H-1,2,4-triazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl}pyrimidin-2(1H)-one","2022-07-13"],["S5G","(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione","C6 H12 N2 O S2","CN1C(=S)S[CH](NO)C1(C)C;CC1(C(SC(=S)N1C)NO)C","InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1","","2020-03-04","2020-04-17","(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione","2020-04-22"],["0F4","1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea","C27 H20 F3 N5 O2","FC(F)(F)c1cc(ccc1)NC(=O)Nc2cccc(c2)Nc3ccc4c(c3)NC(=O)C/4=C/c5cccn5;FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4c(NC(=O)C4=Cc5[nH]ccc5)c3)c2)c1;c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc4c(c3)NC(=O)C4=Cc5ccc[nH]5)C(F)(F)F","InChI=1S/C27H20F3N5O2/c28-27(29,30)16-4-1-5-18(12-16)33-26(37)34-20-7-2-6-19(13-20)32-21-9-10-22-23(14-17-8-3-11-31-17)25(36)35-24(22)15-21/h1-15,31-32H,(H,35,36)(H2,33,34,37)/b23-14-","","2012-01-03","2012-02-03","1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea",""],["S5H","5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE","C25 H38 O5","O=C(O)CCC(=O)OC4CCC3(C1C(C2C(CC1)(C)C(C(=O)C)CC2)CCC3C4)C;CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O;CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCC(=O)O)C)C","InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1","","1999-07-08","2011-06-04","4-oxo-4-{[(3alpha,5beta,8alpha,14beta,17alpha)-20-oxopregnan-3-yl]oxy}butanoic acid",""],["0F5","(5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione","C20 H21 N5 O2 S","N[CH]1CC[CH](CC1)Nc2cncc(n2)c3cccc(C=C4SC(=O)NC4=O)c3;c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)C=C4C(=O)NC(=O)S4","InChI=1S/C20H21N5O2S/c21-14-4-6-15(7-5-14)23-18-11-22-10-16(24-18)13-3-1-2-12(8-13)9-17-19(26)25-20(27)28-17/h1-3,8-11,14-15H,4-7,21H2,(H,23,24)(H,25,26,27)/b17-9-/t14-,15-","","2012-01-04","2020-02-12","(5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione",""],["S5I","Cerdulatinib","C20 H27 N7 O3 S","CC[S](=O)(=O)N1CCN(CC1)c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2;CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N","InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)","4-(cyclopropylamino)-2-[[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide","2022-12-13","2023-12-15","4-(cyclopropylamino)-2-[[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide","2023-12-20"],["0F7","N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide","C25 H35 F2 N3 O7","O=C(O)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C)CC(F)F;CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)C)C(=O)N[CH](CC(F)F)C(=O)C(O)=O","InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1","","2008-12-08","2024-09-27","N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide",""],["S5J","2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile","C13 H17 N3 O","COc1ccccc1N2CCN(CC2)CC#N;COc1ccccc1N2CCN(CC2)CC#N","InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3","","2020-03-04","2020-04-17","2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile","2020-04-22"],["0F9","4-chloro-2-(1H-pyrazol-3-yl)phenol","C9 H7 Cl N2 O","Clc2ccc(O)c(c1nncc1)c2;Oc1ccc(Cl)cc1c2cc[nH]n2;c1cc(c(cc1Cl)c2cc[nH]n2)O","InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)","","2012-01-04","2012-03-16","4-chloro-2-(1H-pyrazol-3-yl)phenol",""],["0FA","N~2~-phosphono-L-leucinamide","C6 H15 N2 O4 P","O=P(O)(O)NC(C(=O)N)CC(C)C;CC(C)C[CH](N[P](O)(O)=O)C(N)=O;CC(C)CC(C(=O)N)NP(=O)(O)O","InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1","","2008-11-12","2011-06-04","N~2~-phosphono-L-leucinamide",""],["S5K","[(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid","C17 H20 B N O5","OB(O)[CH](Cc1coc2ccccc12)NC(=O)[CH]3C[CH]4CC[CH]3O4;B(C(Cc1coc2c1cccc2)NC(=O)C3CC4CCC3O4)(O)O","InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1","[(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid; [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid; ((R)-2-(benzofuran-3-yl)-1-((1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carboxamido)ethyl)boronic acid; [(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid","2020-11-08","2024-09-27","[(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid","2021-06-09"],["S5L","(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","C29 H26 Cl N5 O3","CC(=O)Nc1ccc(cc1)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;CC(=O)Nc1ccc(NC(=O)CN2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2)cc1;CC(=O)Nc1ccc(cc1)NC(=O)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl","InChI=1S/C29H26ClN5O3/c1-18(36)32-22-8-10-23(11-9-22)33-28(37)17-35-15-20-6-7-21(30)12-25(20)26(16-35)29(38)34-27-14-31-13-19-4-2-3-5-24(19)27/h2-14,26H,15-17H2,1H3,(H,32,36)(H,33,37)(H,34,38)/t26-/m1/s1","","2023-08-22","2023-11-03","(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide","2023-11-08"],["B94","(3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid","C26 H30 Cl N5 O9","CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C[CH](CCNC(=O)Cc2ccc(Cl)cc2)N3N1C(=O)N(CCCC(O)=O)C3=O;CC(=O)C(CC(=O)O)NC(=O)C1C=CC(N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl","InChI=1S/C26H30ClN5O9/c1-15(33)19(14-23(37)38)29-24(39)20-9-8-18(10-11-28-21(34)13-16-4-6-17(27)7-5-16)31-25(40)30(26(41)32(20)31)12-2-3-22(35)36/h4-9,18-20H,2-3,10-14H2,1H3,(H,28,34)(H,29,39)(H,35,36)(H,37,38)/t18-,19-,20-/m0/s1","","2009-11-05","2024-09-27","(3S)-3-[[(5R,8S)-5-[2-[2-(4-chlorophenyl)ethanoylamino]ethyl]-2-(4-hydroxy-4-oxo-butyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-8-yl]carbonylamino]-4-oxo-pentanoic acid",""],["B95","N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide","C17 H16 Br N3 O2","Brc1ccccc1OCC(=O)NCCc2[nH]c3ccccc3n2;c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br","InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)","","2009-11-10","2011-06-04","N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)ethanamide",""],["S5M","4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide","C24 H24 N4 O","CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3ncnc4[nH]ccc34;CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3","InChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28)","","2020-03-04","2020-12-11","4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide","2020-12-16"],["S5N","N-((1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)methyl)benzenesulfonamide","C18 H18 N2 O3 S","CN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12;CC1=CC(=O)N(c2c1cc(cc2)CNS(=O)(=O)c3ccccc3)C","InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-14(11-16(13)17)12-19-24(22,23)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3","~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide; ","2020-11-08","2023-01-13","~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide","2023-01-18"],["B96","1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA","C31 H37 N5 O3","O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)Nc5c3c(cccc3)c(OCCN4CCOCC4)cc5;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5","InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)","","2002-02-01","2011-06-04","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea",""],["S5O","(1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid","C14 H17 N5 O2","O=C(O)C1CC2CCC1CN(C2)c1ncnc2nc[NH]c21;OC(=O)[CH]1C[CH]2CC[CH]1CN(C2)c3ncnc4nc[nH]c34;c1[nH]c2c(n1)ncnc2N3CC4CCC(C3)C(C4)C(=O)O","InChI=1S/C14H17N5O2/c20-14(21)10-3-8-1-2-9(10)5-19(4-8)13-11-12(16-6-15-11)17-7-18-13/h6-10H,1-5H2,(H,20,21)(H,15,16,17,18)/t8-,9-,10-/m1/s1","","2022-06-23","2022-07-08","(1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid","2022-07-13"],["B97","(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one","C21 H18 N4 O S","O=C3NC(CNc2c4c1ccc(nc1ccc4sc23)c5ccc(nc5)C)C;C[CH]1CNc2c(sc3ccc4nc(ccc4c23)c5ccc(C)nc5)C(=O)N1;Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)NC(CN5)C","InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1","","2009-01-28","2011-06-04","(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one",""],["S5P","6-sulfanyluridine-5'-phosphate","C9 H13 N2 O9 P S","O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=CC(=O)NC2=O)S;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)S","InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1","6-mercaptouridine-5'-monophosphate","2008-10-23","2021-03-01","6-sulfanyluridine 5'-(dihydrogen phosphate)",""],["B98","(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one","C13 H15 N3 O2 S","O=C2NC(CNc1c3cc(OC)ccc3sc12)CN;COc1ccc2sc3C(=O)N[CH](CN)CNc3c2c1;COc1ccc2c(c1)c3c(s2)C(=O)NC(CN3)CN","InChI=1S/C13H15N3O2S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t7-/m1/s1","","2009-01-28","2011-06-04","(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one",""],["S5Q","FeFe cofactor","C Fe8 S9","S1[Fe]23[S-]4[Fe]5[S-]2[Fe]67S[Fe]89[S-]%10[Fe]%11[S-]%12[Fe]1%10[C++]368%13[Fe]4(S[Fe]%12%13[S-]9%11)[S-]57;[C+2]12345[Fe]67S[Fe]18[S-]9[Fe]21S[Fe]32[S-]6[Fe]3[S-]7[Fe]4([S-]23)S[Fe]52[S-]8[Fe]9[S-]12","InChI=1S/C.8Fe.9S/q+2;;;;;;;;;;;;6*-1","","2022-12-13","2023-06-09","","2023-06-14"],["B99","(2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine","C28 H25 N5 O2","Cc1[nH]nc2ccc(cc12)c3cc(OC[CH](N)Cc4c[nH]c5ccccc45)cnc3c6cocc6;Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OCC(Cc5c[nH]c6c5cccc6)N","InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1","","2009-11-10","2011-06-04","(2S)-1-[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-(1H-indol-3-yl)propan-2-amine",""],["B9A","MACROCYCLIC-BIS-9-AMINO-ACRIDINE","C46 H58 N8 O2 S2","O=C4NCCSCc7c6nc1c(cccc1)c(NCCCNCCCCNCCCNc3c5c(nc2c(cccc23)CSCCNC(O)CC4)cccc5)c6ccc7;OC1CCC(=O)NCCSCc2cccc3c(NCCCNCCCCNCCCNc4c5ccccc5nc6c(CSCCN1)cccc46)c7ccccc7nc23;c1ccc2c(c1)c3c4cccc(c4n2)CSCCNC(CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O","InChI=1S/C46H58N8O2S2/c55-41-19-20-42(56)50-28-30-58-32-34-12-8-16-38-44(34)54-40-18-4-2-14-36(40)46(38)52-26-10-24-48-22-6-5-21-47-23-9-25-51-45-35-13-1-3-17-39(35)53-43-33(11-7-15-37(43)45)31-57-29-27-49-41/h1-4,7-8,11-18,41,47-49,51-52,55H,5-6,9-10,19-32H2,(H,50,56)","","2000-08-02","2011-06-04","14-hydroxy-7,18-dithia-10,15,26,34,38,43,47,55-octaazaheptacyclo[46.8.0.0~5,56~.0~20,25~.0~24,33~.0~27,32~.0~49,54~]hexapentaconta-1(56),2,4,20,22,24,26,27,29,31,32,48,50,52,54-pentadecaen-11-one (non-preferred name)",""],["S5R","(2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid","C12 H19 N2 O8 P","Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(CO)C(=O)O)O","InChI=1S/C12H19N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3,14-16H,4-6H2,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m1/s1","","2023-04-10","2024-04-05","(2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid","2024-04-10"],["S5S","2-sulfanyl-2lambda~4~-tetrasulfane","H4 S5","SS[SH](S)S;SSS(S)S","InChI=1S/H4S5/c1-4-5(2)3/h1-3,5H","","2009-11-18","2011-06-04","",""],["B9B","6-propyl, guanosine-5'-monophosphate","C13 H20 N5 O8 P","CCCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;CCCOc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C13H20N5O8P/c1-2-3-24-11-7-10(16-13(14)17-11)18(5-15-7)12-9(20)8(19)6(26-12)4-25-27(21,22)23/h5-6,8-9,12,19-20H,2-4H2,1H3,(H2,14,16,17)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1","","2017-09-25","2019-04-29","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-propoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["S5T","Monolacunary Keggin (STA)","O39 Si W11","O=[W]12(=O)O[W]345(=O)O[W]678(=O)O[W]9%10(=O)(O3)O[W]%11%12%13(=O)O[W]%14%15(=O)(O6)O[W]%16%17(=O)(O7)O[W]%18(=O)(O1)(O4)O[W]%19(=O)(=O)(O%16)O[W](=O)(=O)(O%14)(O%11)[O]%12%15[Si](O[W](=O)(=O)(O2)(O9)O%13)([O]58%10)[O]%17%18%19;O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1","InChI=1S/O4Si.35O.11W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2020-11-09","2021-01-08","","2021-01-13"],["B9C","N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide","C24 H27 N7 O2 S","C1N(CCNC1)c2ncc(cc2)c3nnc4c3cc(cc4)NCc5ccccc5NS(C)(=O)=O;C[S](=O)(=O)Nc1ccccc1CNc2ccc3[nH]nc(c4ccc(nc4)N5CCNCC5)c3c2;CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5","InChI=1S/C24H27N7O2S/c1-34(32,33)30-21-5-3-2-4-17(21)15-26-19-7-8-22-20(14-19)24(29-28-22)18-6-9-23(27-16-18)31-12-10-25-11-13-31/h2-9,14,16,25-26,30H,10-13,15H2,1H3,(H,28,29)","","2019-01-25","2019-07-12","N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide","2019-07-17"],["S5U","4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid","C12 H14 N4 O3","O=C(O)CCCN(C)C(=O)c1ncnc2[NH]ccc12;CN(CCCC(O)=O)C(=O)c1ncnc2[nH]ccc12;CN(CCCC(=O)O)C(=O)c1c2cc[nH]c2ncn1","InChI=1S/C12H14N4O3/c1-16(6-2-3-9(17)18)12(19)10-8-4-5-13-11(8)15-7-14-10/h4-5,7H,2-3,6H2,1H3,(H,17,18)(H,13,14,15)","","2022-06-23","2022-07-08","4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid","2022-07-13"],["B9D","5-fluoro-alpha-L-idopyranose","C6 H11 F O6","FC1(OC(O)C(O)C(O)C1O)CO;OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1(C(C(C(C(O1)O)O)O)O)F)O","InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1","(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 5-fluoro-alpha-L-idose; 5-fluoro-L-idose;\n5-fluoro-idose","2009-08-18","2024-09-27","(2R,3R,4R,5S,6R)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)",""],["B9F","[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron","C20 H26 Fe N2 O2 S","[Fe].O[CH](CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C3CCCC3.C4CCCC4;C1C2C(C(S1)CCCCC(C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2","InChI=1S/C15H21N2O2S.C5H5.Fe/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14;1-2-4-5-3-1;/h1-2,5-6,11-14,18H,3-4,7-9H2,(H2,16,17,19);1-5H;/t11-,12-,13-,14-;;/m0../s1","","2016-01-18","2017-01-13","[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron","2017-01-18"],["S5V","2-methyl-5-propan-2-yl-phenol","C10 H14 O","CC(C)c1ccc(C)c(O)c1;Cc1ccc(cc1O)C(C)C","InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3","","2022-12-13","2023-03-17","2-methyl-5-propan-2-yl-phenol","2023-03-22"],["S5W","Macrocyclic SAFit analogue 55","C41 H51 N O9","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCOc6cccc2c6)c(OC)c5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCCOc4c(cc(cc4OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)OC","InChI=1S/C41H51NO9/c1-45-34-19-17-27(23-35(34)46-2)16-18-33-29-13-10-14-31(24-29)49-21-22-50-39-36(47-3)25-30(26-37(39)48-4)38(28-11-6-5-7-12-28)40(43)42-20-9-8-15-32(42)41(44)51-33/h10,13-14,17,19,23-26,28,32-33,38H,5-9,11-12,15-16,18,20-22H2,1-4H3/t32-,33+,38-/m0/s1","","2020-11-10","2021-03-12","","2021-03-17"],["B9H","2'-methyl, 3-propyl, cytidine-5'-monophosphate","C13 H24 N3 O8 P","CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O;CCCN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC)N","InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1","","2017-09-26","2019-05-06","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3-propyl-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["S5Y","2-(2-ethoxyethoxy)ethanethiol","C6 H14 O2 S","CCOCCOCCS;CCOCCOCCS","InChI=1S/C6H14O2S/c1-2-7-3-4-8-5-6-9/h9H,2-6H2,1H3","","2020-03-04","2024-09-27","2-(2-ethoxyethoxy)ethanethiol","2020-09-23"],["B9I","(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid","C26 H20 O11","O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc3c(Oc4cc(O)ccc4[C]35OC(=O)c6ccccc56)c2;c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)OC6C(C(C(C(O6)C(=O)O)O)O)O)O","InChI=1S/C26H20O11/c27-11-5-7-15-17(9-11)35-18-10-12(34-25-21(30)19(28)20(29)22(36-25)23(31)32)6-8-16(18)26(15)14-4-2-1-3-13(14)24(33)37-26/h1-10,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26+/m0/s1","","2021-12-07","2022-10-07","(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid","2022-10-12"],["S5Z","4-phenyl-2-(sulfanylmethyl)benzoic acid","C14 H12 O2 S","OC(=O)c1ccc(cc1CS)c2ccccc2;c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O","InChI=1S/C14H12O2S/c15-14(16)13-7-6-11(8-12(13)9-17)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,15,16)","","2016-05-21","2017-06-02","4-phenyl-2-(sulfanylmethyl)benzoic acid","2017-06-07"],["B9K","4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine","C20 H23 N5 O S","CSc1[nH]c(c(C)n1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2;Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4","InChI=1S/C20H23N5OS/c1-14-19(24-20(22-14)27-2)15-7-8-21-18(13-15)23-16-3-5-17(6-4-16)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,21,23)(H,22,24)","","2017-09-26","2018-08-03","4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine","2018-08-08"],["B9L","N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide","C21 H25 N3 O2","N(C(C(=O)NC(Cc2c1c(cccc1)nc2)CO)Cc3ccccc3)C;CN[CH](Cc1ccccc1)C(=O)N[CH](CO)Cc2c[nH]c3ccccc23;CNC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c3c2cccc3)CO","InChI=1S/C21H25N3O2/c1-22-20(11-15-7-3-2-4-8-15)21(26)24-17(14-25)12-16-13-23-19-10-6-5-9-18(16)19/h2-10,13,17,20,22-23,25H,11-12,14H2,1H3,(H,24,26)/t17-,20-/m0/s1","","2019-01-29","2019-08-02","N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide","2019-08-07"],["S60","6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C10 H9 N5 O","O=C1c3c(N=C(N)N1)cc2nc(nc2c3)C;Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N;Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N","InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)","2-methyl-lin-Benzoguanine","2008-01-31","2020-06-17","6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["B9M","(10E)-hexadec-10-en-12-yn-1-ol","C16 H28 O","C(#CC=CCCCCCCCCCO)CCC;CCCC#CC=CCCCCCCCCCO;CCCC#CC=CCCCCCCCCCO","InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,17H,2-3,8-16H2,1H3/b7-6+","","2009-03-12","2011-06-04","(10E)-hexadec-10-en-12-yn-1-ol",""],["S61","(S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid","C20 H18 F N3 O4","O=C(O)CC(c1ccccc1C)NC(=O)C3=CC(=O)N(c2c(F)cccc2)N3;Cc1ccccc1[CH](CC(O)=O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F;Cc1ccccc1C(CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F","InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1","","2012-06-22","2014-09-05","(3S)-3-({[1-(2-fluorophenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid","2012-09-21"],["S62","1,3-benzothiazole-2,5-disulfonic acid","C7 H5 N O6 S3","O=S(=O)(O)c1cc2nc(sc2cc1)S(=O)(=O)O;O[S](=O)(=O)c1ccc2sc(nc2c1)[S](O)(=O)=O;c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O","InChI=1S/C7H5NO6S3/c9-16(10,11)4-1-2-6-5(3-4)8-7(15-6)17(12,13)14/h1-3H,(H,9,10,11)(H,12,13,14)","","2011-03-01","2011-06-24","1,3-benzothiazole-2,5-disulfonic acid",""],["B9N","(2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid","C24 H22 O7 S","COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3[CH](CCC(O)=O)C(O)=O;COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3C(CCC(=O)O)C(=O)O","InChI=1S/C24H22O7S/c1-31-18-10-6-16(7-11-18)17-8-12-19(13-9-17)32(29,30)22-5-3-2-4-20(22)21(24(27)28)14-15-23(25)26/h2-13,21H,14-15H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1","","2017-09-26","2018-05-11","(2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid","2018-05-16"],["B9O","N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide","C17 H24 N2 O2 S","N(C(C(=O)NC(Cc2c1ccccc1sc2)CO)C(C)C)C;CN[CH](C(C)C)C(=O)N[CH](CO)Cc1csc2ccccc12;CC(C)C(C(=O)NC(Cc1csc2c1cccc2)CO)NC","InChI=1S/C17H24N2O2S/c1-11(2)16(18-3)17(21)19-13(9-20)8-12-10-22-15-7-5-4-6-14(12)15/h4-7,10-11,13,16,18,20H,8-9H2,1-3H3,(H,19,21)/t13-,16-/m0/s1","","2019-01-29","2019-08-02","N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide","2019-08-07"],["S63","(3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid","C15 H16 Cl N3 O3","CC1(CCN(C1)C(=O)Cc1c[NH]c2nccc(Cl)c21)C(=O)O;C[C]1(CCN(C1)C(=O)Cc2c[nH]c3nccc(Cl)c23)C(O)=O;CC1(CCN(C1)C(=O)Cc2c[nH]c3c2c(ccn3)Cl)C(=O)O","InChI=1S/C15H16ClN3O3/c1-15(14(21)22)3-5-19(8-15)11(20)6-9-7-18-13-12(9)10(16)2-4-17-13/h2,4,7H,3,5-6,8H2,1H3,(H,17,18)(H,21,22)/t15-/m1/s1","","2022-06-23","2022-07-08","(3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid","2022-07-13"],["B9P","1-biotinylpyrene","C26 H24 N2 O2 S","O=C(CCCCC1C2C(CS1)NC(N2)=O)c3c5c6c(cc3)ccc4c6c(ccc4)cc5;O=C1N[CH]2CS[CH](CCCCC(=O)c3ccc4ccc5cccc6ccc3c4c56)[CH]2N1;c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H24N2O2S/c29-21(6-1-2-7-22-25-20(14-31-22)27-26(30)28-25)18-12-10-17-9-8-15-4-3-5-16-11-13-19(18)24(17)23(15)16/h3-5,8-13,20,22,25H,1-2,6-7,14H2,(H2,27,28,30)/t20-,22-,25-/m0/s1","","2016-03-15","2016-10-07","(3aS,4S,6aR)-4-[5-oxo-5-(pyren-1-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","2016-10-12"],["S64","(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine","C14 H17 N O S","COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23;COc1ccc(cc1)C2=NCCC3C2CCS3","InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1","","2020-03-04","2020-04-17","(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine","2020-04-22"],["S65","heptachlor endo-epoxide","C10 H5 Cl7 O","Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl;C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1","(1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene","2020-11-10","2021-01-08","","2021-01-13"],["B9Q","~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide","C26 H25 F N4 O3","COc1ccc(cn1)[CH](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[CH](C)NC(=O)C5CC5;CC(C(c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5","InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1","","2017-09-28","2018-02-16","~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide","2018-02-21"],["B9R","N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide","C17 H25 N3 O2","N(C)C(C(NC(Cc2c1c(cccc1)nc2)CO)=O)C(C)C;CN[CH](C(C)C)C(=O)N[CH](CO)Cc1c[nH]c2ccccc12;CC(C)C(C(=O)NC(Cc1c[nH]c2c1cccc2)CO)NC","InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1","","2019-01-29","2019-08-02","N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide","2019-08-07"],["S68","endosulfan","C9 H6 Cl6 O3 S","ClC1=C(Cl)[C]2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl;C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+","6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxathiepine 3-oxide; (1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide","2020-11-10","2021-01-08","(1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide","2021-01-13"],["S69","N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide","C17 H18 N2 O4","O=C(N/N=C/c1c(cc(O)cc1O)C)Cc2cccc(OC)c2;COc1cccc(CC(=O)NN=Cc2c(C)cc(O)cc2O)c1;Cc1cc(cc(c1C=NNC(=O)Cc2cccc(c2)OC)O)O","InChI=1S/C17H18N2O4/c1-11-6-13(20)9-16(21)15(11)10-18-19-17(22)8-12-4-3-5-14(7-12)23-2/h3-7,9-10,20-21H,8H2,1-2H3,(H,19,22)/b18-10+","","2010-12-03","2011-11-11","N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide",""],["B9S","(2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol","C32 H41 F4 N5 O3 S","c1cc(ccc1F)CNCc5cc(c2nn(c3c2CN(CC3)S(C)(=O)=O)CC(CN4CCC(C)(CC4)C)O)ccc5C(F)(F)F;CC1(C)CCN(CC1)C[CH](O)Cn2nc(c3ccc(c(CNCc4ccc(F)cc4)c3)C(F)(F)F)c5CN(CCc25)[S](C)(=O)=O;CC1(CCN(CC1)CC(Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C","InChI=1S/C32H41F4N5O3S/c1-31(2)11-14-39(15-12-31)19-26(42)20-41-29-10-13-40(45(3,43)44)21-27(29)30(38-41)23-6-9-28(32(34,35)36)24(16-23)18-37-17-22-4-7-25(33)8-5-22/h4-9,16,26,37,42H,10-15,17-21H2,1-3H3/t26-/m0/s1","","2017-08-07","2017-12-15","(2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol","2017-12-20"],["S6B","3-chloranyl-4-imidazol-1-yl-benzaldehyde","C10 H9 Cl N2 O","OCc1ccc(n2ccnc2)c(Cl)c1;c1cc(c(cc1CO)Cl)n2ccnc2","InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2","","2020-11-10","2024-09-27","(3-chloranyl-4-imidazol-1-yl-phenyl)methanol","2021-06-16"],["B9T","~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide","C20 H19 Br F2 N4 O2","C[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc(cc1Br)C#N)c2cnc(nc2)C3CC3;CC(C(c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F","InChI=1S/C20H19BrF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1","","2017-09-28","2018-02-16","~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide","2018-02-21"],["B9U","(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide","C16 H22 N2 O3","c1cccc2c1c(cn2)CC(NC(C(O)C(C)C)=O)CO;CC(C)[CH](O)C(=O)N[CH](CO)Cc1c[nH]c2ccccc12;CC(C)C(C(=O)NC(Cc1c[nH]c2c1cccc2)CO)O","InChI=1S/C16H22N2O3/c1-10(2)15(20)16(21)18-12(9-19)7-11-8-17-14-6-4-3-5-13(11)14/h3-6,8,10,12,15,17,19-20H,7,9H2,1-2H3,(H,18,21)/t12-,15-/m0/s1","","2019-01-29","2019-08-02","(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide","2019-08-07"],["S6C","[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]acetic acid","C12 H15 N5 O2","O=C(O)CC1CCCN(C1)c1ncnc2nc[NH]c12;OC(=O)C[CH]1CCCN(C1)c2ncnc3nc[nH]c23;c1[nH]c2c(n1)ncnc2N3CCCC(C3)CC(=O)O","InChI=1S/C12H15N5O2/c18-9(19)4-8-2-1-3-17(5-8)12-10-11(14-6-13-10)15-7-16-12/h6-8H,1-5H2,(H,18,19)(H,13,14,15,16)/t8-/m0/s1","","2022-06-23","2022-07-08","[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]acetic acid","2022-07-13"],["B9W","2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide","C27 H28 F2 N4 O3","CC(C)[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc2n(ncc2c1)C3=CN(C)C(=O)C=C3)c4ccccc4;CC(C)C(C(c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F","InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1","","2017-09-28","2018-02-16","2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide","2018-02-21"],["S6D","2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid","C16 H19 F3 N4 O2","C[CH]1CCN1c2nc(cc(n2)C(F)(F)F)N3C[CH]4[CH](C3)C4CC(O)=O;CC1CCN1c2nc(cc(n2)N3CC4C(C3)C4CC(=O)O)C(F)(F)F","InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1","","2020-03-04","2020-09-18","2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid","2020-09-23"],["S6E","(-)cis-chlordane","C10 H6 Cl8","Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl;C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m1/s1","(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene;  (1S,2R,3aR,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene","2020-11-10","2021-01-08","(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene","2021-01-13"],["B9X","[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate","C17 H26 N5 O9 P","CCOCCOCCC(=O)O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23;CCOCCOCCC(=O)OC1CC(OC1COP(=O)(O)O)n2cnc3c2ncnc3N","InChI=1S/C17H26N5O9P/c1-2-27-5-6-28-4-3-14(23)31-11-7-13(30-12(11)8-29-32(24,25)26)22-10-21-15-16(18)19-9-20-17(15)22/h9-13H,2-8H2,1H3,(H2,18,19,20)(H2,24,25,26)/t11-,12+,13+/m0/s1","","2019-03-14","2019-08-23","[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate","2019-08-28"],["S6F","~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide","C11 H12 Cl N O2","CC(=O)N[CH](Cc1ccccc1Cl)C=O;CC(=O)NC(Cc1ccccc1Cl)C=O","InChI=1S/C11H12ClNO2/c1-8(15)13-10(7-14)6-9-4-2-3-5-11(9)12/h2-5,7,10H,6H2,1H3,(H,13,15)/t10-/m0/s1","","2022-12-13","2024-09-27","~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide","2022-12-21"],["B9Y","1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one","C30 H41 F4 N5 O3 S","C(CN1CCC(CC1)F)Sc5cc(c2nn(c3c2CN(CC3)C(CO)=O)CC(O)CN4CCCCC4)ccc5C(F)(F)F;OCC(=O)N1CCc2n(C[CH](O)CN3CCCCC3)nc(c4ccc(c(SCCN5CCC(F)CC5)c4)C(F)(F)F)c2C1;c1cc(c(cc1c2c3c(n(n2)CC(CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F","InChI=1S/C30H41F4N5O3S/c31-22-6-11-36(12-7-22)14-15-43-27-16-21(4-5-25(27)30(32,33)34)29-24-19-38(28(42)20-40)13-8-26(24)39(35-29)18-23(41)17-37-9-2-1-3-10-37/h4-5,16,22-23,40-41H,1-3,6-15,17-20H2/t23-/m0/s1","","2017-08-07","2017-12-15","1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one","2017-12-20"],["S6G","6-THIO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P S","S=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=S)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=S)N","InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(23)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(17,18)19/h3-6,16H,1-2H2,(H2,17,18,19)(H3,11,13,14,23)/t4-,5+,6+/m0/s1","","2001-11-13","2012-01-05","2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione",""],["B9Z","(2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid","C24 H22 O5 S","COc1ccc(cc1)c2ccc(Sc3ccccc3[CH](CCC(O)=O)C(O)=O)cc2;COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3C(CCC(=O)O)C(=O)O","InChI=1S/C24H22O5S/c1-29-18-10-6-16(7-11-18)17-8-12-19(13-9-17)30-22-5-3-2-4-20(22)21(24(27)28)14-15-23(25)26/h2-13,21H,14-15H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1","","2017-09-28","2018-05-11","(2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid","2018-05-16"],["BA","BARIUM ION","Ba","[Ba+2];[Ba++];[Ba+2]","InChI=1S/Ba/q+2","","1999-07-08","2011-06-04","barium",""],["S6H","(+)cis-chlordane","C10 H6 Cl8","Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl;C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1","(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene; (1R,2S,3aS,4S,7R,7aS)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene","2020-11-10","2021-01-08","(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene","2021-01-13"],["BA0","(7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","C27 H31 N5 O3","C1CN(C(CC)=O)CCC1C3CCNc2c(C(N)=O)c(nn23)c4ccc(cc4)Oc5ccccc5;CCC(=O)N1CCC(CC1)[CH]2CCNc3n2nc(c4ccc(Oc5ccccc5)cc4)c3C(N)=O;CCC(=O)N1CCC(CC1)C2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C27H31N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h3-11,18,22,29H,2,12-17H2,1H3,(H2,28,34)/t22-/m0/s1","Zanubrutinib","2019-01-30","2024-09-27","(7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","2019-10-23"],["S6I","4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide","C12 H17 N3 O3 S","O=C(Nc1ccc(cc1)S(=O)(=O)N)NC2CCCC2;N[S](=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1;c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N","InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)","","2010-05-26","2011-06-04","4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide",""],["S6J","6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","C17 H19 F3 N4 O2","C[CH]1[CH](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[CH]4C(CO)[CH]4C3;CC1C(CN1c2c(c(cc(n2)N3CC4C(C3)C4CO)C(F)(F)F)C#N)O","InChI=1S/C17H19F3N4O2/c1-8-14(26)6-24(8)16-9(3-21)13(17(18,19)20)2-15(22-16)23-4-10-11(5-23)12(10)7-25/h2,8,10-12,14,25-26H,4-7H2,1H3/t8-,10-,11+,12+,14+/m0/s1","","2020-03-04","2020-09-18","6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile","2020-09-23"],["BA1","BALANOL","C28 H26 N2 O10","O=C(O)c1cccc(O)c1C(=O)c2c(O)cc(cc2O)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3;OC(=O)c1cccc(O)c1C(=O)c2c(O)cc(cc2O)C(=O)O[CH]3CCCNC[CH]3NC(=O)c4ccc(O)cc4;c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O","InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1","","1999-07-08","2011-06-04","2-{[2,6-dihydroxy-4-({[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid",""],["S6K","1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","C27 H25 Cl N4 O3 S","N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21;C[CH]1CN(C(=O)[C]12CN(Cc3ccc(Cl)cc23)[S](=O)(=O)CC4(CC4)C#N)c5cncc6ccccc56;CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6","InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/m0/s1","","2023-08-22","2023-11-03","1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","2023-11-08"],["BA2","5'-DEOXY-5'-(ETHYLAMINO)-8-{[4-({5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOYL}AMINO)BUTYL]AMINO}ADENOSINE","C26 H42 N10 O5 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCNc3nc5c(ncnc5n3C4OC(CNCC)C(O)C4O)N;CCNC[CH]1O[CH]([CH](O)[CH]1O)n2c(NCCCCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)nc5c(N)ncnc25;CCNCC1C(C(C(O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O","InChI=1S/C26H42N10O5S/c1-2-28-11-15-20(38)21(39)24(41-15)36-23-19(22(27)31-13-32-23)34-25(36)30-10-6-5-9-29-17(37)8-4-3-7-16-18-14(12-42-16)33-26(40)35-18/h13-16,18,20-21,24,28,38-39H,2-12H2,1H3,(H,29,37)(H,30,34)(H2,27,31,32)(H2,33,35,40)/t14-,15+,16-,18-,20+,21+,24+/m0/s1","","2007-02-07","2011-06-04","5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine",""],["S6L","2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide","C24 H21 N5 O2","NCC(=O)Nc1ccc(Oc2ccc3n(Cc4ccccc4)c(N)c(C#N)c3c2)cc1;c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN","InChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30)","","2015-02-27","2015-04-17","2-azanyl-N-[4-[2-azanyl-3-cyano-1-(phenylmethyl)indol-5-yl]oxyphenyl]ethanamide","2015-04-22"],["BA3","BIS(ADENOSINE)-5'-TRIPHOSPHATE","C20 H27 N10 O16 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N","InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2003-12-04","2011-06-04","[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["S6M","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate","C20 H31 N6 O9 P","CC1(C)CC(CC(C)(C)N1O)n2cc(nn2)[CH]3[CH](O)[CH](CO[P](O)(O)=O)O[CH]3N4C=CC(=O)NC4=O;CC1(CC(CC(N1O)(C)C)n2cc(nn2)C3C(C(OC3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C","InChI=1S/C20H31N6O9P/c1-19(2)7-11(8-20(3,4)26(19)30)25-9-12(22-23-25)15-16(28)13(10-34-36(31,32)33)35-17(15)24-6-5-14(27)21-18(24)29/h5-6,9,11,13,15-17,28,30H,7-8,10H2,1-4H3,(H,21,27,29)(H2,31,32,33)/t13-,15-,16-,17-/m1/s1","","2019-01-25","2020-02-07","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate","2020-02-12"],["BA4","[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate","C17 H23 N3 O7","O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCC)Nc2ccccc2;CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CCCC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1","N-butyryl-PUGNAc","2009-04-15","2011-12-12","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]butanamide (non-preferred name)",""],["S6N","(3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid","C15 H18 N4 O3","O=C(c1ncnc2[NH]ccc21)N1CC(CCC1(C)C)C(=O)O;CC1(C)CC[CH](CN1C(=O)c2ncnc3[nH]ccc23)C(O)=O;CC1(CCC(CN1C(=O)c2c3cc[nH]c3ncn2)C(=O)O)C","InChI=1S/C15H18N4O3/c1-15(2)5-3-9(14(21)22)7-19(15)13(20)11-10-4-6-16-12(10)18-8-17-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,22)(H,16,17,18)/t9-/m0/s1","","2022-06-23","2022-07-08","(3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid","2022-07-13"],["BA5","methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate","C10 H9 N3 O4","COC(=O)C1=C(N)c2cccnc2N(O)C1=O;COC(=O)C1=C(c2cccnc2N(C1=O)O)N","InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3","XZ462","2017-09-29","2021-03-01","methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate","2018-04-11"],["S6O","~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide","C23 H27 Cl N4 O2 S","CN(CCN(C)c1cccc2sc(cc12)C(N)=N)C(=O)C(C)(C)Oc3ccc(Cl)cc3;CC(C)(C(=O)N(C)CCN(C)c1cccc2c1cc(s2)C(=N)N)Oc3ccc(cc3)Cl","InChI=1S/C23H27ClN4O2S/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28(4)13-12-27(3)18-6-5-7-19-17(18)14-20(31-19)21(25)26/h5-11,14H,12-13H2,1-4H3,(H3,25,26)","","2022-12-14","2023-08-25","~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide","2023-08-30"],["BA6","(2S)-heptane-1,2,7-triol","C7 H16 O3","OCCCCCC(O)CO;OCCCCC[CH](O)CO;C(CCC(CO)O)CCO","InChI=1S/C7H16O3/c8-5-3-1-2-4-7(10)6-9/h7-10H,1-6H2/t7-/m0/s1","","2019-01-31","2019-10-25","(2S)-heptane-1,2,7-triol","2019-10-30"],["S6P","D-SORBITOL-6-PHOSPHATE","C6 H15 O9 P","O=P(O)(O)OCC(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O","InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1","1-O-PHOSPHONO-D-GLUCITOL; D-GLUCITOL-6-PHOSPHATE","2004-10-28","2020-05-27","6-O-phosphono-D-glucitol",""],["BA7","[(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate","C22 H27 N5 O15 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](OC(=O)c5ccccc5)[CH]4O)[CH](O)[CH]3O;c1ccc(cc1)C(=O)OC2C(C(OC2O)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C22H27N5O15P2/c23-18-13-19(25-8-24-18)27(9-26-13)20-16(30)14(28)11(39-20)6-37-43(33,34)42-44(35,36)38-7-12-15(29)17(22(32)40-12)41-21(31)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-17,20,22,28-30,32H,6-7H2,(H,33,34)(H,35,36)(H2,23,24,25)/t11-,12-,14-,15-,16-,17-,20-,22-/m1/s1","","2021-06-26","2022-03-11","[(2~{R},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate","2022-03-16"],["S6Q","~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine","C23 H22 N2 O3 S","O=[S](=O)(n1ccc2c(OCCNCc3ccccc3)cccc12)c4ccccc4;c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4","InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2","","2020-11-10","2021-09-24","~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine","2021-09-29"],["BA8","4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol","C22 H18 Cl N3 O2","Oc1cc(O)c(cc1CCc2ccccn2)c3ccnn3c4ccccc4Cl;c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl","InChI=1S/C22H18ClN3O2/c23-18-6-1-2-7-20(18)26-19(10-12-25-26)17-13-15(21(27)14-22(17)28)8-9-16-5-3-4-11-24-16/h1-7,10-14,27-28H,8-9H2","","2017-09-29","2018-05-25","4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol","2018-05-30"],["BA9","propane-2,2-diol","C3 H8 O2","OC(C)(O)C;CC(C)(O)O;CC(C)(O)O","InChI=1S/C3H8O2/c1-3(2,4)5/h4-5H,1-2H3","","2019-01-31","2019-10-25","propane-2,2-diol","2019-10-30"],["S6R","1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid","C34 H31 Cl N2 O5","OC(=O)C1(CCN(CC1)C(=O)c2ccc(cc2)c3cccc(Cl)c3)NC(=O)Cc4ccc(OCc5ccccc5)cc4;c1ccc(cc1)COc2ccc(cc2)CC(=O)NC3(CCN(CC3)C(=O)c4ccc(cc4)c5cccc(c5)Cl)C(=O)O","InChI=1S/C34H31ClN2O5/c35-29-8-4-7-28(22-29)26-11-13-27(14-12-26)32(39)37-19-17-34(18-20-37,33(40)41)36-31(38)21-24-9-15-30(16-10-24)42-23-25-5-2-1-3-6-25/h1-16,22H,17-21,23H2,(H,36,38)(H,40,41)","","2023-04-11","2024-03-15","1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid","2024-03-20"],["S6S","2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid","C18 H19 F3 N4 O3","C[CH]1[CH](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[CH]4[CH](C3)C4CC(O)=O;CC1C(CN1c2c(c(cc(n2)N3CC4C(C3)C4CC(=O)O)C(F)(F)F)C#N)O","InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1","","2020-03-04","2020-09-18","2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid","2020-09-23"],["BAA","(TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE","C11 H21 N3 O4","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N)C)C;C[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(N)=O;CC(C(=O)N)NC(=O)C(C)NC(=O)OC(C)(C)C","InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1","","1999-07-08","2024-09-27","N-(tert-butoxycarbonyl)-L-alanyl-L-alaninamide",""],["S6T","pretilachlor","C17 H26 Cl N O2","CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC;CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl","InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3","2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide; 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide ","2020-11-10","2024-09-27","2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide","2021-01-13"],["BAB","BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE","C17 H19 N8","n2c1ccc(cc1nc2Cc4[nH+]c3ccc(C(=[NH2+])N)cc3n4)C(=[NH2+])N;NC(=[NH2+])c1ccc2nc(Cc3[nH]c4cc(ccc4[nH+]3)C(N)=[NH2+])[nH]c2c1;c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N","InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+3","","1999-07-08","2011-06-04","6-[amino(iminio)methyl]-2-({6-[amino(iminio)methyl]-1H-benzimidazol-2-yl}methyl)-1H-benzimidazol-3-ium",""],["BAC","N-(4-IODO-BENZYL)-FORMAMIDE","C8 H8 I N O","Ic1ccc(cc1)CNC=O;Ic1ccc(CNC=O)cc1;c1cc(ccc1CNC=O)I","InChI=1S/C8H8INO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)","","1999-07-08","2011-08-06","N-(4-iodobenzyl)formamide",""],["S6U","2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate","C12 H12 N4 O4","O=C1OCCN1CCOC(=O)c1ncnc2[NH]ccc21;O=C1OCCN1CCOC(=O)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)C(=O)OCCN3CCOC3=O","InChI=1S/C12H12N4O4/c17-11(19-5-3-16-4-6-20-12(16)18)9-8-1-2-13-10(8)15-7-14-9/h1-2,7H,3-6H2,(H,13,14,15)","","2022-06-23","2022-07-08","2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate","2022-07-13"],["S6V","1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea","C13 H17 N3 O2","O=C(NCCN1CCCC1=O)Nc2ccccc2;c1ccc(cc1)NC(=O)NCCN2CCCC2=O","InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)","","2020-03-04","2020-04-10","1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea","2020-04-15"],["BAE","N-methyltrimethylacetamide","C6 H13 N O","O=C(NC)C(C)(C)C;CNC(=O)C(C)(C)C;CC(C)(C)C(=O)NC","InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8)","N,2,2-trimethylpropanamide","2013-01-10","2021-03-13","N,2,2-trimethylpropanamide","2013-10-02"],["S6W","fipronil","C12 H4 Cl2 F6 N4 O S","Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F;c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F","InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1","5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile; 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile; 5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulphinyl pyrazole; 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-[(~{R})-trifluoromethylsulfinyl]pyrazole-3-carbonitrile","2020-11-10","2021-01-08","5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile","2021-01-13"],["BAF","(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE","C11 H21 N3 O4","O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C;C[CH](NC=O)NC(=O)[CH](C)NC(=O)OC(C)(C)C;CC(C(=O)NC(C)NC=O)NC(=O)OC(C)(C)C","InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1","","1999-07-08","2024-09-27","N~2~-(tert-butoxycarbonyl)-N-[(1S)-1-(formylamino)ethyl]-L-alaninamide",""],["S6X","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide","C21 H20 Cl N3 O2 S","CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N;CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)Cl","InChI=1S/C21H20ClN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)","","2022-12-14","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide","2023-08-02"],["BAG","N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE","C13 H19 N5 O2","O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1;NC(O)=C(CCCNC(N)=N)NC(=O)c1ccccc1;c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N","InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17)","BENZOYL-L-ARGININE AMIDE","2004-05-13","2021-03-01","N-{(1E)-1-[amino(hydroxy)methylidene]-4-carbamimidamidobutyl}benzamide",""],["BAH","BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE","C17 H18 N8 O2","n1c4ccc(C(=[NH2+])N)cc4nc1C(O)(O)c3nc2ccc(cc2n3)C(=[NH2+])N;NC(=[NH2+])c1ccc2nc([nH]c2c1)C(O)(O)c3[nH]c4cc(ccc4n3)C(N)=[NH2+];c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O","InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2","","1999-07-28","2011-06-04","[(dihydroxymethanediyl)bis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium)",""],["S6Y","6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid","C9 H12 N2 O3","CC(C)CC1=NC(=O)NC(=C1)C(O)=O;CC(C)CC1=NC(=O)NC(=C1)C(=O)O","InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)","","2020-03-05","2021-01-08","4-(2-methylpropyl)-2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid","2021-01-13"],["S6Z","oxadiazon","C15 H18 Cl2 N2 O3","CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl;CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C","InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3","3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one; 5-(tert-butyl)-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3H)-one","2020-11-10","2021-01-08","3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one","2021-01-13"],["BAI","(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE","C16 H14 N6","[N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N;NC(=N)c1ccc2[nH]c(Cc3[nH]c4ccccc4n3)nc2c1;c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N","InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)","HEMI-BABIM","1999-08-02","2020-06-17","2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide",""],["BAJ","1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine","C34 H45 F4 N5 O2 S","C(c4cc(c1nn(c2CCN(Cc12)S(C)(=O)=O)CCCN3CCC(CC3)C(C)(C)C)ccc4C(F)(F)F)NCc5ccc(cc5)F;CC(C)(C)C1CCN(CCCn2nc(c3ccc(c(CNCc4ccc(F)cc4)c3)C(F)(F)F)c5CN(CCc25)[S](C)(=O)=O)CC1;CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C","InChI=1S/C34H45F4N5O2S/c1-33(2,3)27-12-17-41(18-13-27)15-5-16-43-31-14-19-42(46(4,44)45)23-29(31)32(40-43)25-8-11-30(34(36,37)38)26(20-25)22-39-21-24-6-9-28(35)10-7-24/h6-11,20,27,39H,5,12-19,21-23H2,1-4H3","","2017-08-07","2017-12-15","1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine","2017-12-20"],["S70","3-HYDROXY-2-OXO-4-PHOPHONOXY- BUTYL)-PHOSPHONIC ACID","C4 H10 O9 P2","O=P(O)(O)OCC(O)C(=O)CP(=O)(O)O;O[CH](CO[P](O)(O)=O)C(=O)C[P](O)(O)=O;C(C(C(=O)CP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C4H10O9P2/c5-3(1-13-15(10,11)12)4(6)2-14(7,8)9/h3,5H,1-2H2,(H2,7,8,9)(H2,10,11,12)/t3-/m0/s1","","2003-09-09","2011-06-04","[(3S)-3-hydroxy-2-oxo-4-(phosphonooxy)butyl]phosphonic acid",""],["S71","(R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine","C22 H28 N6","n1c(N)cc(cc1CCc2cc(cnc2)C(Cc3nc(N)cc(c3)C)CN)C;Cc1cc(N)nc(CCc2cncc(c2)[CH](CN)Cc3cc(C)cc(N)n3)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)C(Cc3cc(cc(n3)N)C)CN","InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m0/s1","","2014-03-15","2014-05-02","6-[(2R)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine","2014-05-07"],["BAK","BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE","C17 H16 N8 O","O=C(c2nc1ccc(cc1n2)C(=[NH2+])N)c3nc4ccc(C(=[NH2+])N)cc4n3;NC(=[NH2+])c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)=[NH2+];c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N","InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2","","1999-07-28","2011-06-04","[carbonylbis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium)",""],["BAL","BETA-ALANINE","C3 H7 N O2","O=C(O)CCN;NCCC(O)=O;C(CN)C(=O)O","InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)","","1999-07-08","2024-09-27","beta-alanine",""],["S72","1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide","C29 H35 F N6 O3","Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(F)cc4)CC(=O)NC;CNC(=O)CN(Cc1ccc(F)cc1)C(=O)C[CH]2CC[CH](CC2)NC(=O)c3nnn(Cc4ccccc4)c3C;Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC","InChI=1S/C29H35FN6O3/c1-20-28(33-34-36(20)18-22-6-4-3-5-7-22)29(39)32-25-14-10-21(11-15-25)16-27(38)35(19-26(37)31-2)17-23-8-12-24(30)13-9-23/h3-9,12-13,21,25H,10-11,14-19H2,1-2H3,(H,31,37)(H,32,39)/t21-,25+","","2016-03-24","2016-11-25","1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide","2016-11-30"],["S73","(2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol","C19 H20 F3 N3 O4","[N+](c1c(CO)ccc(c1)NC3CCN(Cc2ccc(cc2)OC(F)(F)F)C3)([O-])=O;OCc1ccc(N[CH]2CCN(C2)Cc3ccc(OC(F)(F)F)cc3)cc1[N+]([O-])=O;c1cc(ccc1CN2CCC(C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F","InChI=1S/C19H20F3N3O4/c20-19(21,22)29-17-5-1-13(2-6-17)10-24-8-7-16(11-24)23-15-4-3-14(12-26)18(9-15)25(27)28/h1-6,9,16,23,26H,7-8,10-12H2/t16-/m0/s1","","2018-09-11","2018-09-28","(2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol","2018-10-03"],["BAM","BENZAMIDINE","C7 H9 N2","[NH2+]=C(/N)c1ccccc1;NC(=[NH2+])c1ccccc1;c1ccc(cc1)C(=[NH2+])N","InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1","","1999-09-10","2022-02-08","amino(phenyl)methaniminium",""],["S74","3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid","C30 H32 N2 O4","O=C(NC3C(c1ccccc1)C3c2ccccc2)N5CCC(Oc4ccc(cc4)CCC(=O)O)CC5;OC(=O)CCc1ccc(O[CH]2CCN(CC2)C(=O)N[CH]3[CH]([CH]3c4ccccc4)c5ccccc5)cc1;c1ccc(cc1)C2C(C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5","InChI=1S/C30H32N2O4/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)/t27-,28+,29+","","2014-12-12","2015-04-03","3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid","2015-04-08"],["BAN","HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE","C21 H23 N5 O7","O=C(Nc1ccc(cc1)[N+]([O-])=O)CNC(=O)C(NC(=O)C(C(=O)NO)Cc2ccccc2)C;C[CH](NC(=O)[CH](Cc1ccccc1)C(=O)NO)C(=O)NCC(=O)Nc2ccc(cc2)[N+]([O-])=O;CC(C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO","InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1","","1999-07-08","2011-06-04","N-[(2S)-2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamide",""],["BAO","BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE","C17 H14 N8 O","O=C(c2nc1ccc(cc1n2)C(=[N@H])N)c3nc4ccc(C(=[N@H])N)cc4n3;NC(=N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)=N;c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N","InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)","","1999-07-08","2011-06-04","2,2'-carbonylbis(1H-benzimidazole-6-carboximidamide)",""],["S76","6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE","C5 H7 N3 O2","CNC1=CC(=O)NC(=O)N1;CNC1=CC(=O)NC(=O)N1","InChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10)","","2016-01-06","2017-01-13","6-(methylamino)-1H-pyrimidine-2,4-dione","2017-01-18"],["BAP","1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE","C20 H16 O3","OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O;O[CH]1Cc2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O","InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1","","1999-07-08","2011-06-04","(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol",""],["S77","2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine","C18 H19 F N6","Cn1cnnc1C2CCN(CC2)c3ncccc3c4ccc(F)nc4;Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F","InChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3","","2018-04-16","2018-09-14","2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine","2018-09-19"],["S78","2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium","C28 H38 N3 O3","CC(C)(C)OC(=O)N1CCC[CH](C[NH2+]CCOc2cccc3n(Cc4ccccc4)ccc23)C1;CC(C)(C)OC(=O)N1CCCC(C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4","InChI=1S/C28H37N3O3/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3/p+1/t23-/m1/s1","[(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium","2020-11-10","2021-09-24","[(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium","2021-09-29"],["BAQ","pyrrolidin-2-one","C4 H7 N O","O=C1NCCC1;O=C1CCCN1;C1CC(=O)NC1","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","","2013-01-10","2013-09-27","pyrrolidin-2-one","2013-10-02"],["BAR","8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID","C10 H12 O6","O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2;O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O;C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O","InChI=1/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1/f/h12,14H","","1999-07-08","2008-10-14","(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",""],["S79","6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C20 H16 N6 O","O=C1NC(=Nc3c1cc2nc(nc2c3)NCc5c4ccccc4ccc5)N;NC1=Nc2cc3[nH]c(NCc4cccc5ccccc45)nc3cc2C(=O)N1;c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N","InChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27)","","2007-08-23","2011-06-04","6-amino-2-[(naphthalen-1-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["S7A","3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one","C7 H11 F3 N2 O","FC(F)(F)CC(=O)N1CCNCC1;C1CN(CCN1)C(=O)CC(F)(F)F","InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2","","2020-03-05","2020-04-17","3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one","2020-04-22"],["BAS","N-(1-PHENYL-PROPYL)-FORMAMIDE","C10 H13 N O","O=CNC(c1ccccc1)CC;CC[CH](NC=O)c1ccccc1;CCC(c1ccccc1)NC=O","InChI=1S/C10H13NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,11,12)/t10-/m1/s1","","2001-08-24","2011-06-04","N-[(1R)-1-phenylpropyl]formamide",""],["BAT","4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE","C23 H31 N3 O4 S2","O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2;CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)[CH](CSc2sccc2)C(=O)NO;CC(C)CC(C(CSc1cccs1)C(=O)NO)C(=O)NC(Cc2ccccc2)C(=O)NC","InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1","BATIMASTAT; BB94","1999-07-08","2020-06-17","(2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide",""],["S7B","2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid","C12 H12 O4","O=C(Oc1c(cccc1C(=O)O)C)C2CC2;Cc1cccc(C(O)=O)c1OC(=O)C2CC2;Cc1cccc(c1OC(=O)C2CC2)C(=O)O","InChI=1S/C12H12O4/c1-7-3-2-4-9(11(13)14)10(7)16-12(15)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,13,14)","","2008-11-04","2011-06-04","2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid",""],["S7C","1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","C28 H27 Cl N4 O3 S","N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21;CC[CH]1CN(C(=O)[C]12CN(Cc3ccc(Cl)cc23)[S](=O)(=O)CC4(CC4)C#N)c5cncc6ccccc56;CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6","InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1","","2023-08-22","2023-11-03","1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile","2023-11-08"],["BAU","1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE","C14 H16 N2 O4","O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2;OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O;c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO","InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)","","2004-08-09","2011-06-04","5-benzyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione",""],["S7D","1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone","C10 H15 N3 O2","C[CH]1CN(CCO1)C(=O)Cn2cccn2;CC1CN(CCO1)C(=O)Cn2cccn2","InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1","","2020-03-05","2020-08-20","1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone","2020-03-25"],["BAV","(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-\ndione","C29 H49 N3 O3","O=C2NC(C(O)CNCc1cccc(c1)C(C)C)CC(C)CCCCCCCCC(=O)N(C)C2C;CC(C)c1cccc(CNC[CH](O)[CH]2C[CH](C)CCCCCCCCC(=O)N(C)[CH](C)C(=O)N2)c1;CC1CCCCCCCCC(=O)N(C(C(=O)NC(C1)C(CNCc2cccc(c2)C(C)C)O)C)C","InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1","(3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione","2008-07-21","2020-06-17","(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione",""],["BAW","4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol","C18 H17 F N2 O2","CCc1cc(c(O)cc1O)c2[nH]nc(C)c2c3ccccc3F;CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F","InChI=1S/C18H17FN2O2/c1-3-11-8-13(16(23)9-15(11)22)18-17(10(2)20-21-18)12-6-4-5-7-14(12)19/h4-9,22-23H,3H2,1-2H3,(H,20,21)","","2017-09-29","2018-05-25","4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol","2018-05-30"],["S7E","4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide","C26 H32 N12 O5","Cn1cc(N)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(n3)C(=O)Nc4cn(C)c(n4)C(=O)NCC[CH](N)C=O;Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCCC(C=O)N)C)C)N","InChI=1S/C26H32N12O5/c1-35-9-15(28)7-17(35)23(40)30-16-8-18(36(2)10-16)24(41)33-19-11-38(4)22(32-19)26(43)34-20-12-37(3)21(31-20)25(42)29-6-5-14(27)13-39/h7-14H,5-6,27-28H2,1-4H3,(H,29,42)(H,30,40)(H,33,41)(H,34,43)/t14-/m0/s1","","2020-03-18","2020-06-19","4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide","2020-06-24"],["BAX","4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE","C21 H16 Cl F3 N4 O3","O=C(c3nccc(Oc2ccc(NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)cc2)c3)NC;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1;CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl","InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)","Sorafenib","2004-02-05","2020-06-17","4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide",""],["S7F","(3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide","C12 H18 N4 O3 S","O=S(=O)(c1cc(C)c(N)nc1)N1CCCC(C1)C(N)=O;Cc1cc(cnc1N)[S](=O)(=O)N2CCC[CH](C2)C(N)=O;Cc1cc(cnc1N)S(=O)(=O)N2CCCC(C2)C(=O)N","InChI=1S/C12H18N4O3S/c1-8-5-10(6-15-11(8)13)20(18,19)16-4-2-3-9(7-16)12(14)17/h5-6,9H,2-4,7H2,1H3,(H2,13,15)(H2,14,17)/t9-/m0/s1","","2022-06-23","2022-07-08","(3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide","2022-07-13"],["S7G","~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide","C11 H14 N2 O","CC(=O)N[CH]1CNc2ccccc2C1;CC(=O)NC1Cc2ccccc2NC1","InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1","","2020-03-05","2020-04-17","~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide","2020-04-22"],["BAY","N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE","C64 H82 N4 O10 S2","O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(O)C(NC(=O)C(NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc3c2ccccc2ccc3)C(C)C)Cc4ccccc4)C(C)C)Cc6c5ccccc5ccc6;CC(C)[CH](NC(=O)[CH](Cc1cccc2ccccc12)C[S](=O)(=O)C(C)(C)C)C(=O)N[CH](Cc3ccccc3)[CH](O)[CH](O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)[CH](Cc5cccc6ccccc56)C[S](=O)(=O)C(C)(C)C)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)C(Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C","InChI=1S/C64H82N4O10S2/c1-41(2)55(67-59(71)49(39-79(75,76)63(5,6)7)37-47-31-21-29-45-27-17-19-33-51(45)47)61(73)65-53(35-43-23-13-11-14-24-43)57(69)58(70)54(36-44-25-15-12-16-26-44)66-62(74)56(42(3)4)68-60(72)50(40-80(77,78)64(8,9)10)38-48-32-22-30-46-28-18-20-34-52(46)48/h11-34,41-42,49-50,53-58,69-70H,35-40H2,1-10H3,(H,65,73)(H,66,74)(H,67,71)(H,68,72)/t49-,50-,53+,54+,55+,56+,57-,58-/m1/s1","","1999-07-08","2011-06-04","(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-{[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino}-3-methylbutanamide) (non-preferred name)",""],["BAZ","BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC","C17 H16 N8 Zn","[Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1;c1cc2c(cc1C(=N)N)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N","InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15;/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25);/q;+2","","1999-07-08","2023-09-23","[5-carbamimidoyl-2-[(6-carbamimidoyl-1H-benzoimidazol-2-yl)methyl]-3H-benzoimidazol-1-yl]zinc",""],["S7H","1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione","C12 H17 N3 O6","C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O;CC(CN1C(=O)N(C(=O)N(C1=O)CC2CO2)CC3CO3)O","InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1","","2020-11-10","2024-09-27","1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione","2020-12-02"],["S7I","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide","C23 H22 Cl N3 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCC3)Oc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C23H22ClN3O2S/c24-17-6-8-19(9-7-17)29-23(10-1-2-11-23)22(28)27-18-5-3-4-15(12-18)16-13-20(21(25)26)30-14-16/h3-9,12-14H,1-2,10-11H2,(H3,25,26)(H,27,28)","","2022-12-14","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide","2023-08-02"],["BB0","1-[6-(dimethylamino)naphthalen-2-yl]ethanone","C14 H15 N O","CN(C)c1ccc2cc(ccc2c1)C(C)=O;CC(=O)c1ccc2cc(ccc2c1)N(C)C","InChI=1S/C14H15NO/c1-10(16)11-4-5-13-9-14(15(2)3)7-6-12(13)8-11/h4-9H,1-3H3","","2010-04-11","2011-06-04","1-[6-(dimethylamino)naphthalen-2-yl]ethanone",""],["BB1","2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE","C16 H31 N3 O4","O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C;CCCC[CH](CN(O)C=O)C(=O)N[CH](C(=O)N(C)C)C(C)(C)C;CCCCC(CN(C=O)O)C(=O)NC(C(=O)N(C)C)C(C)(C)C","InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1","BB-3497","2000-10-22","2021-03-01","(2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide",""],["S7J","2-(trifluoromethyl)pyrimidine-5-carboxamide","C6 H4 F3 N3 O","NC(=O)c1cnc(nc1)C(F)(F)F;c1c(cnc(n1)C(F)(F)F)C(=O)N","InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)","","2020-03-05","2020-04-17","2-(trifluoromethyl)pyrimidine-5-carboxamide","2020-04-22"],["S7K","(S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine","C22 H26 N4","n1ccc(cc1CCc2cccc(c2)C(N)Cc3nc(N)cc(c3)C)C;Cc1ccnc(CCc2cccc(c2)[CH](N)Cc3cc(C)cc(N)n3)c1;Cc1ccnc(c1)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)N","InChI=1S/C22H26N4/c1-15-8-9-25-19(10-15)7-6-17-4-3-5-18(13-17)21(23)14-20-11-16(2)12-22(24)26-20/h3-5,8-13,21H,6-7,14,23H2,1-2H3,(H2,24,26)/t21-/m0/s1","","2014-03-17","2014-05-02","6-[(2S)-2-amino-2-{3-[2-(4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine","2014-05-07"],["BB2","ACTINONIN","C19 H35 N3 O5","O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C;CCCCC[CH](CC(=O)NO)C(=O)N[CH](C(C)C)C(=O)N1CCC[CH]1CO;CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO","InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1","2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE","2000-10-23","2021-03-01","(2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide",""],["S7L","1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium","C24 H22 N2","C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3;c1ccc(cc1)C[n+]2ccc(cc2)c3cc[n+](cc3)Cc4ccccc4","InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2","","2023-04-11","2024-04-12","1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium","2024-04-17"],["BB3","3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE","C19 H17 Br2 N O5 S","Brc1cc(cc(Br)c1O)C(=O)c2c3ccc(cc3oc2CC)S(=O)(=O)N(C)C;CCc1oc2cc(ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3)[S](=O)(=O)N(C)C;CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br","InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3","","2004-04-29","2011-06-04","3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide",""],["BB4","2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide","C10 H9 Br N2 O2","Brc1cc2c(cc1)ncc2CC(=O)NO;ONC(=O)Cc1c[nH]c2ccc(Br)cc12;c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO","InChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14)","","2010-08-09","2011-06-04","2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide",""],["S7M","[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls\nulfonium","C16 H25 N6 O5 S","O=C(O)C(N)CC[S+](CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CC[S+](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC[S+](CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)/p+1/t8-,9+,11+,12+,15+,28-/m0/s1","S-ADENOSYL ETHIONINE","2013-06-07","2020-06-17","[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethylsulfonium (non-preferred name)","2013-06-19"],["S7N","(phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate","C22 H33 N3 O5 S","CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O;CC(C)C(C(=O)NC(C)C(=O)NC(CCSC)C(=O)C)NC(=O)OCc1ccccc1","InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m0/s1","Z-VAM-FMK;zVAM.fmk","2020-11-10","2024-09-27","(phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate","2021-07-28"],["BB6","(2Z)-2-amino-3-sulfanylbut-2-enoic acid","C4 H7 N O2 S","O=C(O)/C(N)=C(/S)C;CC(S)=C(N)C(O)=O;CC(=C(C(=O)O)N)S","InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2-","","2009-01-15","2024-09-27","(2Z)-2-amino-3-sulfanylbut-2-enoic acid",""],["S7O","2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid","C10 H11 N4 O4","O=C(O)CN(C)C(=O)c1c[n+]2C(=O)NNc2cc1;CN(CC(O)=O)C(=O)c1ccc2NNC(=O)[n+]2c1;CN(CC(=O)O)C(=O)c1ccc2[n+](c1)C(=O)NN2","InChI=1S/C10H10N4O4/c1-13(5-8(15)16)9(17)6-2-3-7-11-12-10(18)14(7)4-6/h2-4H,5H2,1H3,(H2,12,15,16,18)/p+1","","2022-06-23","2022-07-08","N-methyl-N-(3-oxo-2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-carbonyl)glycine","2022-07-13"],["BB7","(2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid","C5 H9 N O3 S","O=C(O)/C(N)=C(/S)COC;COCC(S)=C(N)C(O)=O;COCC(=C(C(=O)O)N)S","InChI=1S/C5H9NO3S/c1-9-2-3(10)4(6)5(7)8/h10H,2,6H2,1H3,(H,7,8)/b4-3-","","2009-01-15","2024-09-27","(2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid",""],["BB8","(2S,3S)-BETA-HYDROXY-PHENYLALANINE","C9 H11 N O3","O=C(O)C(N)C(O)c1ccccc1;N[CH]([CH](O)c1ccccc1)C(O)=O;c1ccc(cc1)C(C(C(=O)O)N)O","InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1","BETA-HYDROXY-PHENYLALANINE; THREO-BETA-HYDROXY-L-PHENYLALANINE; (BETAS)-BETA-HYDROXY-L-PHENYLALANINE; L-THREO-3-PHENYLSERINE; L-THREO-BETA-PHENYLSERINE; 3-HYDROXY-L-PHENYLALANINE","2009-01-15","2024-09-27","(betaS)-beta-hydroxy-L-phenylalanine",""],["S7P","1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose","C7 H15 O10 P","O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O;OC[C]1(O)O[CH]([CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1","1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose; 1-C-(hydroxymethyl)-6-O-phosphono-D-altrose;\n1-C-(hydroxymethyl)-6-O-phosphono-altrose","2014-08-28","2020-07-17","1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose","2015-08-12"],["BB9","(2Z)-2-amino-3-sulfanylprop-2-enoic acid","C3 H5 N O2 S","O=C(O)/C(N)=C/S;NC(=CS)C(O)=O;C(=C(C(=O)O)N)S","InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-","","2009-01-15","2024-09-27","(2Z)-2-amino-3-sulfanylprop-2-enoic acid",""],["U8Z","[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate","C3 H7 O6 P","OCC(O)=CO[P](O)(O)=O;C(C(=COP(=O)(O)O)O)O","InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+","","2021-02-03","2024-09-27","[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate","2021-04-14"],["BBA","2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE","C23 H28 N4 O","O=C1C(CCCCC1Cc2ccc(C(=[N@H])N)cc2)Cc3ccc(C(=[N@H])N)cc3;NC(=N)c1ccc(C[CH]2CCCC[CH](Cc3ccc(cc3)C(N)=N)C2=O)cc1;c1cc(ccc1CC2CCCCC(C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N","InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1","BIS-BENZAMIDINE","1999-07-08","2021-03-01","4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamide",""],["U90","3-O-methyl-alpha-D-mannopyranose","C7 H14 O6","OC1C(OC)C(O)C(CO)OC1O;CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O;COC1C(C(OC(C1O)O)CO)O","InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1","","2022-08-10","2022-09-16","3-O-methyl-alpha-D-mannopyranose","2022-09-21"],["BBB","1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE","C21 H22 N2 O6","O=C1C(=C(O)N(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3;OCCOCN1C(=O)NC(=O)C(=C1O)Cc2cccc(OCc3ccccc3)c2;c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O","InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)","","2004-08-10","2011-06-04","5-[3-(benzyloxy)benzyl]-6-hydroxy-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione",""],["U91","1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide","C18 H13 F4 N3 O2","Cn1nc(O)c(c1C)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3;Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F","InChI=1S/C18H13F4N3O2/c1-8-10(18(27)24-25(8)2)17(26)23-16-14(21)12(19)11(13(20)15(16)22)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,23,26)(H,24,27)","","2017-01-16","2017-03-03","1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide","2017-03-08"],["U93","(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid","C17 H30 N4 O12 P2","Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C(NCCCCC(C=O)N)NC(COP(=O)(O)O)C(=O)O)O","InChI=1S/C17H30N4O12P2/c1-10-15(23)14(11(6-20-10)8-32-34(26,27)28)16(19-5-3-2-4-12(18)7-22)21-13(17(24)25)9-33-35(29,30)31/h6-7,12-13,16,19,21,23H,2-5,8-9,18H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t12-,13-,16+/m0/s1","","2023-01-30","2023-03-24","(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid","2023-03-29"],["BBC","3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL","C7 H16 N2 O2 S","O=S(CC(=[N@H])CO)CCCCN;NCCCC[S](=O)CC(=N)CO;C(CCS(=O)CC(=N)CO)CN","InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1","","2005-05-18","2024-09-27","(2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol",""],["U94","4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid","C20 H21 Cl2 N O6","Clc2cc(c1ccc(cc1)CC(NC(=O)COC)C(O)C(O)C(=O)O)cc(Cl)c2;COCC(=O)N[CH](Cc1ccc(cc1)c2cc(Cl)cc(Cl)c2)[CH](O)[CH](O)C(O)=O;COCC(=O)NC(Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)C(C(C(=O)O)O)O","InChI=1S/C20H21Cl2NO6/c1-29-10-17(24)23-16(18(25)19(26)20(27)28)6-11-2-4-12(5-3-11)13-7-14(21)9-15(22)8-13/h2-5,7-9,16,18-19,25-26H,6,10H2,1H3,(H,23,24)(H,27,28)/t16-,18-,19+/m0/s1","","2011-05-23","2011-07-01","4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid",""],["BBE","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide","C19 H20 N4 O4 S","O=S(=O)(c1cc(ccc1)C)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C;CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3cccc(C)c3;Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N","InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)","","2012-08-03","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide","2012-10-26"],["U95","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid","C22 H14 Cl F3 N2 O4","OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4[nH]ccc4)cc1;c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F","InChI=1S/C22H14ClF3N2O4/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(32-28-19)17-5-2-10-27-17)11-31-13-8-6-12(7-9-13)21(29)30/h1-10,27H,11H2,(H,29,30)","","2021-02-03","2021-05-28","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid","2021-06-02"],["BBF","1-bromo-2,3,4,5,6-pentafluorobenzene","C6 Br F5","Fc1c(F)c(F)c(F)c(Br)c1F;Fc1c(F)c(F)c(Br)c(F)c1F;c1(c(c(c(c(c1F)F)Br)F)F)F","InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9","","2008-07-11","2011-06-04","1-bromo-2,3,4,5,6-pentafluorobenzene",""],["U96","3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one","C23 H20 N6 O","Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(C)nc6;Cc1ccc(cn1)N2c3c(n[nH]c3C4CC4)C=C(C2=O)c5ccc6c(c5)cn(n6)C","InChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26)","","2023-08-30","2024-03-15","3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one","2024-03-20"],["BBH","1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE","C19 H21 N3 O6 S","O=S(=O)(c1ccc(OC)cc1)N3C(C(=O)NO)CC(=O)N(Cc2ccccc2)C3;COc1ccc(cc1)[S](=O)(=O)N2CN(Cc3ccccc3)C(=O)C[CH]2C(=O)NO;COc1ccc(cc1)S(=O)(=O)N2CN(C(=O)CC2C(=O)NO)Cc3ccccc3","InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1","","1999-10-28","2011-06-04","(4R)-1-benzyl-N-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-6-oxohexahydropyrimidine-4-carboxamide",""],["BBI","(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone","C25 H29 I2 N O3","Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c3ccccc3oc2CCCC;CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3;CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I","InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3","","2014-01-17","2015-04-17","(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone","2015-04-22"],["U97","2-O-sulfo-beta-L-galactopyranuronic acid","C6 H10 O10 S","C1(C(C(=O)O)OC(O)C(C1O)OS(O)(=O)=O)O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O","InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3+,4-,6-/m0/s1","","2020-05-04","2020-07-17","2-O-sulfo-beta-L-galactopyranuronic acid","2020-07-29"],["U98","2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide","C12 H10 F3 N3 O2 S","FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N;N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F;c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F","InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20)","","2013-05-20","2013-09-13","2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-sulfonamide","2013-09-18"],["BBJ","N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide","C11 H13 Br F N7 O4 S","c1c(cc(Br)c(c1)F)NC(=N/O)c2nonc2NCCNS(N)(=O)=O;N[S](=O)(=O)NCCNc1nonc1C(Nc2ccc(F)c(Br)c2)=NO;c1cc(c(cc1NC(=NO)c2c(non2)NCCNS(=O)(=O)N)Br)F","InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)","","2017-08-07","2017-12-01","N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide","2017-12-06"],["U99","methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate","C23 H30 O8","O=C(OC)C1CC(OCOC)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1;COCO[CH]1C[CH](C(=O)OC)[C]2(C)CC[CH]3C(=O)O[CH](C[C]3(C)[CH]2C1=O)c4cocc4;CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)OCOC)C)c4ccoc4","InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1","","2022-08-11","2023-04-28","methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate","2023-05-03"],["BBK","2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose","C8 H15 N O5 S","C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O;CC(=O)N[CH]1[CH](O)S[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(SC1O)CO)O)O","InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1","2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose; 2-acetamido-2-deoxy-5-thio-alpha-D-galactose;\n2-acetamido-2-deoxy-5-thio-D-galactose; 2-acetamido-2-deoxy-5-thio-galactose","2014-04-30","2020-07-17","2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose","2014-05-28"],["U9A","[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid","C5 H11 N O11 S2","C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O;O[CH]1O[CH](O[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O;C1(C(C(C(OC1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O","InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1","","2020-05-04","2020-07-17","[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name)","2020-07-29"],["BBL","N-[(BENZYLOXY)CARBONYL]-L-ALANINE","C11 H13 N O4","O=C(O)C(NC(=O)OCc1ccccc1)C;C[CH](NC(=O)OCc1ccccc1)C(O)=O;CC(C(=O)O)NC(=O)OCc1ccccc1","InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1","N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE","2005-07-07","2024-09-27","N-[(benzyloxy)carbonyl]-L-alanine",""],["U9B","(1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide","C16 H27 N2 O4 P","[NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2ccccc2)C(O)=O;c1ccc(cc1)C[NH+]2CCP(=O)(C(C2)(CCCC[NH3+])C(=O)O)O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/p+2/t16-/m0/s1","4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium","2021-02-04","2021-04-02","4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium","2021-04-07"],["BBM","5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE","C16 H13 Br F3 I N2 O4","Fc1c(c(cc(Br)c1F)C(=O)NOCC(O)CO)Nc2ccc(I)cc2F;OC[CH](O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc2ccc(I)cc2F;c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOCC(CO)O","InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)/t8-/m0/s1","","2004-02-10","2011-06-04","5-bromo-N-{[(2S)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide",""],["BBN","1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide","C8 H8 B N3 O2","B2(c1c(cccc1)C=NN2C(N)=O)O;NC(=O)N1N=Cc2ccccc2B1O;B1(c2ccccc2C=NN1C(=O)N)O","InChI=1S/C8H8BN3O2/c10-8(13)12-9(14)7-4-2-1-3-6(7)5-11-12/h1-5,14H,(H2,10,13)","","2015-07-09","2015-12-04","1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide","2015-12-09"],["U9C","~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine","C13 H12 N4 S","Nc1ccc(Nc2ccc3c(N)nsc3c2)cc1;c1cc(ccc1N)Nc2ccc3c(c2)snc3N","InChI=1S/C13H12N4S/c14-8-1-3-9(4-2-8)16-10-5-6-11-12(7-10)18-17-13(11)15/h1-7,16H,14H2,(H2,15,17)","","2023-01-31","2024-02-02","~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine","2024-02-07"],["BBO","2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione","C19 H20 N2 O3","c1c3c4c(cc1)cccc4C(=O)N(CCCN2CCOCC2)C3=O;O=C1N(CCCN2CCOCC2)C(=O)c3cccc4cccc1c34;c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4","InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2","","2019-01-31","2019-05-10","2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione","2019-05-15"],["U9D","4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose","C9 H18 O5","C1C(OC(C(C1OC)OC)O)COC;COC[CH]1C[CH](OC)[CH](OC)[CH](O)O1;COCC1CC(C(C(O1)O)OC)OC","InChI=1S/C9H18O5/c1-11-5-6-4-7(12-2)8(13-3)9(10)14-6/h6-10H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1","","2020-05-05","2020-07-17","4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose","2020-07-29"],["U9E","3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid","C21 H17 Cl N2 O2","CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34;CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl","InChI=1S/C21H17ClN2O2/c1-2-12-18(15-6-3-4-8-16(15)22)20(21(25)26)24-19(12)14-7-5-9-17-13(14)10-11-23-17/h3-11,23-24H,2H2,1H3,(H,25,26)","","2021-02-04","2021-06-11","3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid","2021-06-16"],["BBP","(5R)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyrazol-5-ol","C14 H14 Cl N3 O S","CC(C)(C)C=1CC(=O)N(N=1)c1nc2ccc(Cl)cc2s1;CC(C)(C)C1=NN(C(=O)C1)c2sc3cc(Cl)ccc3n2;CC(C)(C)C1=NN(C(=O)C1)c2nc3ccc(cc3s2)Cl","InChI=1S/C14H14ClN3OS/c1-14(2,3)11-7-12(19)18(17-11)13-16-9-5-4-8(15)6-10(9)20-13/h4-6H,7H2,1-3H3","","2009-05-27","2025-11-20","5-tert-butyl-2-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one",""],["BBQ","CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE","C32 H44 B N4 O9","CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56;B12(C(CCO1)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O","InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1","","2010-04-22","2011-06-04","cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate",""],["U9F","{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron","C47 H46 B F3 I N9 O7","F[B-]1(F)[N+]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O)NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O)N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1;CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)CCOCCOCCNC(=O)CCC6=[N+]7C(=Cc8ccc(n8[B-]7(F)F)c9[nH]ccc9)C=C6)c5)C;[B-]1(n2c(ccc2c3ccc[nH]3)C=C4[N+]1=C(C=C4)CCC(=O)NCCOCCOCCC(=O)Nc5cccc(c5)N6C7=C(C(=O)N(C(=C7C(=O)N(C6=O)C8CC8)Nc9ccc(cc9F)I)C)C)(F)F","InChI=1S/C47H46BF3IN9O7/c1-28-43-42(44(57(2)45(28)64)56-37-15-8-29(52)25-36(37)49)46(65)59(31-9-10-31)47(66)58(43)33-6-3-5-30(26-33)55-41(63)18-21-67-23-24-68-22-20-54-40(62)17-14-32-11-12-34-27-35-13-16-39(38-7-4-19-53-38)61(35)48(50,51)60(32)34/h3-8,11-13,15-16,19,25-27,31,53,56H,9-10,14,17-18,20-24H2,1-2H3,(H,54,62)(H,55,63)","","2023-08-30","2023-09-22","{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron","2023-09-27"],["U9G","2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose","C8 H16 O9 S","OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O;CO[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1OC;COC1C(C(OC(C1OC)O)COS(=O)(=O)O)O","InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1","","2020-05-05","2020-07-17","2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose","2020-07-29"],["BBR","(3-bromo-2-oxo-propoxy)phosphonic acid","C3 H6 Br O5 P","O=P(O)(O)OCC(=O)CBr;O[P](O)(=O)OCC(=O)CBr;C(C(=O)CBr)OP(=O)(O)O","InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)","","2007-10-25","2024-09-27","3-bromo-2-oxopropyl dihydrogen phosphate",""],["U9H","2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione","C15 H16 F N3 O2","Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4)C2=O;c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O","InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)/t10-,15-","2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione","2021-02-04","2022-02-18","2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione","2022-02-23"],["BBS","4-TERT-BUTYLBENZENESULFONIC ACID","C10 H14 O3 S","O=S(=O)(O)c1ccc(cc1)C(C)(C)C;CC(C)(C)c1ccc(cc1)[S](O)(=O)=O;CC(C)(C)c1ccc(cc1)S(=O)(=O)O","InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)","","2000-03-31","2024-09-27","4-tert-butylbenzenesulfonic acid",""],["U9I","methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate","C19 H25 Cl2 N3 O3","Clc1ccc(cc1Cl)CC(=O)N1CCN(CC1CN1CCCC1)C(=O)OC;COC(=O)N1CCN([CH](CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3;COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl","InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m1/s1","","2022-08-11","2023-04-28","methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate","2023-05-03"],["BBT","2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE","C17 H21 N3 O4","O=C2NC(=NC(=O)C2(c1ccccc1)N3CCC(CC3)CCO)O;OCC[CH]1CCN(CC1)[C]2(C(=O)NC(=NC2=O)O)c3ccccc3;c1ccc(cc1)C2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO","InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)","","2001-07-16","2011-06-04","(5R)-2-hydroxy-5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenylpyrimidine-4,6(1H,5H)-dione",""],["U9J","(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol","C8 H16 O7","OC1C(OC(C(C1OC)OC)O)C(O)O;CO[CH]1[CH](O)O[CH](C(O)O)[CH](O)[CH]1OC;COC1C(C(OC(C1OC)O)C(O)O)O","InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1","","2020-05-05","2020-07-17","(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)","2020-07-29"],["BBU","1-BROMOBUTANE","C4 H9 Br","BrCCCC;CCCCBr;CCCCBr","InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3","","2004-11-01","2011-06-04","1-bromobutane",""],["BBV","benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside","C15 H21 N O6","O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCc2ccccc2;CC(=O)NC1C(C(C(OC1OCc2ccccc2)CO)O)O","InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1","benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside; benzyl 2-acetamido-2-deoxy-alpha-D-glucoside; benzyl\n2-acetamido-2-deoxy-D-glucoside; benzyl 2-acetamido-2-deoxy-glucoside","2012-04-09","2020-07-17","benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside",""],["U9K","(1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide","C20 H30 F N4 O4 P","Cn1cncc1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C](CCCC[NH3+])(C3)C(O)=O;Cn1cncc1c2cc(ccc2C[NH+]3CCP(=O)(C(C3)(CCCC[NH3+])C(=O)O)O)F","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/p+2/t20-/m0/s1","4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium","2021-02-07","2021-04-02","4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium","2021-04-07"],["U9L","1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline","C22 H21 Cl N4","Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1;c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n2)N5CCNCC5","InChI=1S/C22H21ClN4/c23-17-5-3-4-16(14-17)15-27-11-8-19-21(27)18-6-1-2-7-20(18)25-22(19)26-12-9-24-10-13-26/h1-8,11,14,24H,9-10,12-13,15H2","","2023-01-31","2023-10-06","1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline","2023-10-11"],["BBW","7-methylquinazolin-4-amine","C9 H9 N3","Cc1ccc2c(N)ncnc2c1;Cc1ccc2c(c1)ncnc2N","InChI=1S/C9H9N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12)","","2015-09-23","2016-09-30","7-methylquinazolin-4-amine","2016-10-05"],["U9M","(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol","C8 H16 O7","OC1C(OC(C(C1OC)OC)O)C(O)O;CO[CH]1[CH](O)O[CH](C(O)O)[CH](O)[CH]1OC;COC1C(C(OC(C1OC)O)C(O)O)O","InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5-,6+,8+/m0/s1","","2020-05-05","2020-07-17","(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)","2020-07-29"],["BBX","1-BROMOETHANE","C2 H5 Br","BrCC;CCBr;CCBr","InChI=1S/C2H5Br/c1-2-3/h2H2,1H3","","2004-11-01","2011-06-04","bromoethane",""],["BBY","5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine","C11 H10 Br N3 O2","Brc1cc(cc2OCOc12)c3cc(nn3C)N;Cn1nc(N)cc1c2cc(Br)c3OCOc3c2;Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3","InChI=1S/C11H10BrN3O2/c1-15-8(4-10(13)14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5H2,1H3,(H2,13,14)","","2010-09-29","2011-06-04","5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine",""],["U9N","[(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate","C33 H66 N O8 P","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC","InChI=1S/C33H66NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-19-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m0/s1","","2021-02-08","2021-04-16","[(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate","2021-04-21"],["U9O","5-azanyl-1-oxidanyl-pentan-2-one","C5 H11 N O2","NCCCC(=O)CO;C(CC(=O)CO)CN","InChI=1S/C5H11NO2/c6-3-1-2-5(8)4-7/h7H,1-4,6H2","","2023-08-31","2024-09-27","5-azanyl-1-oxidanyl-pentan-2-one","2024-02-21"],["BBZ","2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE","C27 H29 N7","n2c(c1ccc(N(C)C)cc1)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C)CC6;CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6)N(C)C;CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C","InChI=1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31)","","1999-07-08","2011-06-04","N,N-dimethyl-4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]aniline",""],["U9P","(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide","C23 H26 N8 O2","CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC;CNC(=O)c1cncc(c1)c2cnn3cc(c(N[CH]4CCOC4)nc23)c5ccn(n5)C(C)C;CC(C)n1ccc(n1)c2cn3c(c(cn3)c4cc(cnc4)C(=O)NC)nc2NC5CCOC5","InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1","","2022-08-12","2022-11-18","(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide","2022-11-23"],["BC","BENZO[G]CHRYSENE","C22 H18 O3","OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O;O[CH]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[CH](O)[CH]1O;c1ccc2c(c1)c3ccccc3c4c2ccc5c4CC(C(C5O)O)O","InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1","","1999-08-17","2011-06-04","(11S,12S,13S)-11,12,13,14-tetrahydrobenzo[g]chrysene-11,12,13-triol",""],["U9Q","1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline","C21 H19 Cl N4 O2 S","Clc1cccc(c1)[S](=O)(=O)n2ccc3c(nc4ccccc4c23)N5CCNCC5;c1ccc2c(c1)c3c(ccn3S(=O)(=O)c4cccc(c4)Cl)c(n2)N5CCNCC5","InChI=1S/C21H19ClN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2","","2023-01-31","2023-10-06","1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline","2023-10-11"],["BC0","2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine","C20 H19 Cl N4 S2","N4(C=Cc3c1c(nc(nc1NCC=C)SCc2ccc(cc2)Cl)sc3C4)C;CN1Cc2sc3nc(SCc4ccc(Cl)cc4)nc(NCC=C)c3c2C=C1;CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1","InChI=1S/C20H19ClN4S2/c1-3-9-22-18-17-15-8-10-25(2)11-16(15)27-19(17)24-20(23-18)26-12-13-4-6-14(21)7-5-13/h3-8,10H,1,9,11-12H2,2H3,(H,22,23,24)","","2019-01-31","2019-05-10","2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine","2019-05-15"],["U9R","(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)","C8 H11 N3 O2 S","O=C(Nc1cnns1)C1OCCC1C;C[CH]1CCO[CH]1C(=O)Nc2snnc2;CC1CCOC1C(=O)Nc2cnns2","InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m1/s1","","2023-08-31","2023-11-24","(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)","2023-11-29"],["BC1","3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID","C19 H17 N3 O3","O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C;CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c3ccccc13;CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O","InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)","","2002-06-18","2011-06-04","N-[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine",""],["BC2","MACBECIN","C30 H42 N2 O8","O=C1C=C2C(=O)C(=C1)NC(=O)C(=CC=CC(C(OC(=O)N)C(=CC(C)C(OC)C(OC)CC(C)C2OC)C)C)C;CO[CH]1C[CH](C)[CH](OC)C2=CC(=O)C=C(NC(=O)C(=CC=C[CH](C)[CH](OC(N)=O)C(=C[CH](C)[CH]1OC)C)C)C2=O;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C=C(C1OC)C2=O)C)C)OC(=O)N)C)C)OC)OC","InChI=1S/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9?,17-11+,18-12+/t16-,19-,20-,24-,26+,27+,28+/m0/s1","","2008-01-16","2011-06-04","(4E,6Z,8S,9R,10E,12S,13R,14S,16S,17R)-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate",""],["U9S","(2R,3S)-oxirane-2,3-dicarboxylic acid","C4 H4 O5","C(C1C(O1)C(O)=O)(=O)O;OC(=O)[CH]1O[CH]1C(O)=O;C1(C(O1)C(=O)O)C(=O)O","InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+","cis-2,3-epoxysuccinic acid","2020-05-05","2021-03-19","(2R,3S)-oxirane-2,3-dicarboxylic acid","2021-03-24"],["BC3","2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","C12 H11 N5 O","O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3;NC1=Nc2c(Cc3cccnc3)c[nH]c2C(=O)N1;c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N","InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)","peldesine,BCX-34","2008-06-25","2020-06-17","2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["U9T","~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide","C15 H21 F N2 O","CC1CCN(CC1)C(=O)NCCc2ccccc2F;CC1CCN(CC1)C(=O)NCCc2ccccc2F","InChI=1S/C15H21FN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,17,19)","","2021-02-09","2022-02-18","~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide","2022-02-23"],["BC4","(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","C11 H16 N2 O S","O=C1NC2C(SCC2N1)CCCCC#C;O=C1N[CH]2CS[CH](CCCCC#C)[CH]2N1;C#CCCCCC1C2C(CS1)NC(=O)N2","InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1","biotin acetylene","2013-10-17","2020-06-17","(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","2013-10-30"],["U9U","5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide","C20 H17 F3 N4 O3","FC(F)(F)c1ccccc1CC1=NC(=O)C(O)=C(N1)C(=O)NCCc1ccncc1;OC1=C(NC(=NC1=O)Cc2ccccc2C(F)(F)F)C(=O)NCCc3ccncc3;c1ccc(c(c1)CC2=NC(=O)C(=C(N2)C(=O)NCCc3ccncc3)O)C(F)(F)F","InChI=1S/C20H17F3N4O3/c21-20(22,23)14-4-2-1-3-13(14)11-15-26-16(17(28)19(30)27-15)18(29)25-10-7-12-5-8-24-9-6-12/h1-6,8-9,28H,7,10-11H2,(H,25,29)(H,26,27,30)","","2022-08-15","2022-09-09","5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide","2022-09-14"],["BC5","4'-aminobiphenyl-4-sulfonamide","C12 H12 N2 O2 S","S(=O)(N)(=O)c1ccc(cc1)c2ccc(cc2)N;Nc1ccc(cc1)c2ccc(cc2)[S](N)(=O)=O;c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N","InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)","","2015-10-01","2016-01-15","4'-aminobiphenyl-4-sulfonamide","2016-01-20"],["U9V","pentadecyl(tetradecyl)peroxyanhydride","C33 H64 O4","O(C(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC","InChI=1S/C33H64O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-30-36-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3","","2020-05-05","2021-01-15","2-(pentadecanoyloxy)ethyl hexadecanoate","2021-01-20"],["U9W","~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide","C13 H17 Cl N2 O","CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2;CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl","InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)","","2021-02-09","2022-02-18","~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide","2022-02-23"],["BC6","(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate","C28 H42 N2 O6","O=C(OC2C(=CC(C)C(O)C(OC)CC(C)Cc1cc(cc(O)c1)NC(=O)C(=CCCC2C)C)C)N;CO[CH]1C[CH](C)Cc2cc(O)cc(NC(=O)C(=CCC[CH](C)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)c2;CC1CCC=C(C(=O)Nc2cc(cc(c2)O)CC(CC(C(C(C=C(C1OC(=O)N)C)C)O)OC)C)C","InChI=1S/C28H42N2O6/c1-16-10-21-13-22(15-23(31)14-21)30-27(33)18(3)9-7-8-17(2)26(36-28(29)34)20(5)12-19(4)25(32)24(11-16)35-6/h9,12-17,19,24-26,31-32H,7-8,10-11H2,1-6H3,(H2,29,34)(H,30,33)/b18-9+,20-12+/t16-,17+,19+,24+,25-,26-/m1/s1","","2008-06-16","2011-06-04","(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate",""],["BC7","2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone","C32 H44 F3 N5 O4 S","CC(=O)N1CCc2n(C[CH](O)CN3CCC(CC3)C(C)(C)O)nc(c4ccc(c(SCC(=O)N5CCCC5)c4)C(F)(F)F)c2C1;CC(=O)N1CCc2c(c(nn2CC(CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1","InChI=1S/C32H44F3N5O4S/c1-21(41)39-15-10-27-25(19-39)30(36-40(27)18-24(42)17-37-13-8-23(9-14-37)31(2,3)44)22-6-7-26(32(33,34)35)28(16-22)45-20-29(43)38-11-4-5-12-38/h6-7,16,23-24,42,44H,4-5,8-15,17-20H2,1-3H3/t24-/m1/s1","","2017-08-08","2017-12-15","2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone","2017-12-20"],["U9X","[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate","C34 H60 N4 O7","CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[CH](CC(C)C)C(=CC1=O)OC;CCC(C)C(C(=O)OC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)CCC(=O)N1C(C(=CC1=O)OC)CC(C)C)N(C)C","InChI=1S/C34H60N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h19-26,28,31H,13-18H2,1-12H3,(H,35,41)(H,36,42)/t23-,24-,25-,26-,28-,31-/m0/s1","","2023-01-31","2024-09-27","[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate","2024-02-07"],["U9Y","1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine","C17 H18 Cl2 N6","c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c4cccc(c4Cl)Cl;CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c4Cl)n2;CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N","InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)","","2020-05-05","2021-03-12","1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine","2021-03-17"],["BC8","beta-citryl-L-glutamic acid","C11 H15 N O10","OC(=O)CC(O)(CC(O)=O)C(=O)NC(C(=O)O)CCC(O)=O;OC(=O)CC[CH](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O","InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1","","2015-06-01","2016-05-27","N-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-L-glutamic acid","2016-06-01"],["U9Z","4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide","C14 H17 F3 N2 O","CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F;CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F","InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)","","2021-02-09","2022-02-18","4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide","2022-02-23"],["BC9","(1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid","C27 H43 N O6","O=C(O)C1CCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CCCC2)C;C[CH]1C[CH](C)C[CH](C)[CH](O)C(=CCCC[CH](OC(=O)C[CH](O)[CH](C)C1)[CH]2CC[CH]2C(O)=O)C#N;CC1CC(CC(C(C(=CCCCC(OC(=O)CC(C(C1)C)O)C2CCC2C(=O)O)C#N)O)C)C","InChI=1S/C27H43NO6/c1-16-11-17(2)13-19(4)26(31)20(15-28)7-5-6-8-24(21-9-10-22(21)27(32)33)34-25(30)14-23(29)18(3)12-16/h7,16-19,21-24,26,29,31H,5-6,8-14H2,1-4H3,(H,32,33)/b20-7+/t16-,17+,18-,19-,21+,22+,23-,24-,26+/m0/s1","","2014-06-24","2015-09-25","(1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid","2015-09-30"],["UA0","~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide","C12 H15 Cl N2 O","Clc1cccc(NC(=O)CN2CCCC2)c1;c1cc(cc(c1)Cl)NC(=O)CN2CCCC2","InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)","","2023-08-31","2024-09-06","~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide","2024-09-11"],["BCA","4-HYDROXYBENZOYL COENZYME A","C28 H40 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccc(O)cc4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccc(O)cc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O","InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1","","1999-07-08","2011-06-04","S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 4-hydroxybenzenecarbothioate (non-preferred name)",""],["BCB","BACTERIOCHLOROPHYLL B","C55 H72 Mg N4 O6","COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=[N+]5C(=Cc6n7c(C=C8[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C9=[N+]8[Mg]57[N]3C2=C19)c(C)c6C(C)=O)[CH](C)C4=CC;CC=C1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5C(C4=O)C(=O)OC)C(C9C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)c(c8C(=O)C)C)C1C)C","InChI=1S/C55H73N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,25,27-32,34-35,40,51H,14-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+4/p-1/b33-25+,39-13+;/t31-,32-,34-,35+,40+,51-;/m1./s1","","1999-07-08","2023-09-23","",""],["UA1","N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE","C24 H32 N4 O8 S","O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)NC)NC(=O)C(NC(=O)OC(C)(C)C)Cc2ccc(O)cc2;CNC(=O)[CH](Cc1ccc(N[S](O)(=O)=O)cc1)NC(=O)[CH](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C;CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC","InChI=1S/C24H32N4O8S/c1-24(2,3)36-23(32)27-20(14-16-7-11-18(29)12-8-16)22(31)26-19(21(30)25-4)13-15-5-9-17(10-6-15)28-37(33,34)35/h5-12,19-20,28-29H,13-14H2,1-4H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34,35)/t19-,20-/m0/s1","","2006-08-23","2011-06-04","N-(tert-butoxycarbonyl)-L-tyrosyl-N-methyl-4-(sulfoamino)-L-phenylalaninamide",""],["UA2","3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R","C11 H15 N5 O3","OC3C(c2c1ncnc(N)c1nc2)NC(CO)C3O;Nc1ncnc2c1[nH]cc2[CH]3N[CH](CO)[CH](O)[CH]3O;c1c(c2c([nH]1)c(ncn2)N)C3C(C(C(N3)CO)O)O","InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1","","2006-08-23","2012-12-06","(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol",""],["BCC","(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid","C16 H20 N2 O3","O=C(O)C2N1C(=O)C(N)(CCC1CC2)Cc3ccccc3;N[C]1(CC[CH]2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3;c1ccc(cc1)CC2(CCC3CCC(N3C2=O)C(=O)O)N","InChI=1S/C16H20N2O3/c17-16(10-11-4-2-1-3-5-11)9-8-12-6-7-13(14(19)20)18(12)15(16)21/h1-5,12-13H,6-10,17H2,(H,19,20)/t12-,13+,16+/m1/s1","","1999-07-08","2013-06-26","(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid",""],["BCD","BETA-CYCLODEXTRIN","C42 H70 O35","O1C8C(O)C(O)C(OC7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO)OC8CO;OC[CH]1O[CH]2O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH]1[CH](O)[CH]2O;C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O","InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1","CYCLO-HEPTA-AMYLOSE","1999-07-08","2020-07-17","(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)",""],["UA3","URACIL ARABINOSE-3'-PHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)O","InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1","1-(3-O-PHOSPHONO-BETA-L-ARABINOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE","2004-07-27","2021-03-13","1-(3-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["UA4","(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE","C25 H27 F2 N5 O3","Fc1cc(cc(F)c1)C4(Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC)C;CCc1nc(N)nc(N)c1c2ccc3O[C](C)(C(=O)N(CCCOC)c3c2)c4cc(F)cc(F)c4;CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)c4cc(cc(c4)F)F)CCCOC","InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)/t25-/m0/s1","","2006-08-23","2011-06-04","(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one",""],["BCE","(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide","C17 H14 N2 O2","N#CC(=C(O)C)C(=O)Nc2ccc(c1ccccc1)cc2;CC(O)=C(C#N)C(=O)Nc1ccc(cc1)c2ccccc2;CC(=C(C#N)C(=O)Nc1ccc(cc1)c2ccccc2)O","InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-","","2008-11-12","2011-06-04","(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide",""],["BCF","1-chloro-2,3,4,5,6-pentafluorobenzene","C6 Cl F5","Fc1c(F)c(F)c(F)c(Cl)c1F;Fc1c(F)c(F)c(Cl)c(F)c1F;c1(c(c(c(c(c1F)F)Cl)F)F)F","InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9","","2008-07-11","2011-06-04","1-chloro-2,3,4,5,6-pentafluorobenzene",""],["UA5","(4-ETHYLPHENYL)SULFAMIC ACID","C8 H11 N O3 S","O=S(=O)(O)Nc1ccc(cc1)CC;CCc1ccc(N[S](O)(=O)=O)cc1;CCc1ccc(cc1)NS(=O)(=O)O","InChI=1S/C8H11NO3S/c1-2-7-3-5-8(6-4-7)9-13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)","","2006-08-28","2011-06-04","(4-ethylphenyl)sulfamic acid",""],["BCG","3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID","C16 H19 N O4","O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2;CN1[CH]2CC[CH]1[CH]([CH](C2)OC(=O)c3ccccc3)C(O)=O;CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)O","InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1","BENZOYLECGONINE","2003-09-15","2020-06-17","(1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid",""],["UA6","2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide","C23 H15 F6 N3 O","FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F;FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c3ccccc3)c(c1)C(F)(F)F;c1ccc(cc1)N(CC#Cc2cccnn2)C(=O)Cc3ccc(cc3C(F)(F)F)C(F)(F)F","InChI=1S/C23H15F6N3O/c24-22(25,26)17-11-10-16(20(15-17)23(27,28)29)14-21(33)32(19-8-2-1-3-9-19)13-5-7-18-6-4-12-30-31-18/h1-4,6,8-12,15H,13-14H2","","2022-08-15","2022-09-23","2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide","2022-09-28"],["UA7","Brodifacoum","C31 H23 Br O3","C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O;OC1=C([CH]2C[CH](Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)Oc6ccccc16;c1ccc2c(c1)CC(CC2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br","InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1","3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one","2020-05-06","2020-11-06","3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one","2020-11-11"],["BCH","2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM","C9 H20 N O S","O=C(SCC[N+](C)(C)C)CCC;CCCC(=O)SCC[N+](C)(C)C;CCCC(=O)SCC[N+](C)(C)C","InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1","BUTYRYLTHIOCHOLINE","2003-04-17","2021-03-01","2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium",""],["BCJ","(4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one","C34 H49 F3 N6 O5 S2","C[CH]1CCN(CCSc2cc(ccc2C(F)(F)F)c3nn(C[CH](O)CN4CC[CH](CC4)N5C[CH](O)CC5=O)c6CCN(Cc36)[S](C)(=O)=O)CC1;CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)CC(CN5CCC(CC5)N6CC(CC6=O)O)O)CCN(C4)S(=O)(=O)C","InChI=1S/C34H49F3N6O5S2/c1-23-5-10-39(11-6-23)15-16-49-31-17-24(3-4-29(31)34(35,36)37)33-28-22-41(50(2,47)48)14-9-30(28)43(38-33)21-27(45)19-40-12-7-25(8-13-40)42-20-26(44)18-32(42)46/h3-4,17,23,25-27,44-45H,5-16,18-22H2,1-2H3/t26-,27-/m0/s1","","2017-08-08","2017-12-15","(4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one","2017-12-20"],["UA8","~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide","C14 H26 N2 O","CC1CCN(CC1)C(=O)NC2CCCCCC2;CC1CCN(CC1)C(=O)NC2CCCCCC2","InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)","","2021-02-09","2022-02-18","~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide","2022-02-23"],["BCK","(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol","C11 H12 N2 O","OCc2c(c1ccccc1)n(nc2)C;Cn1ncc(CO)c1c2ccccc2;Cn1c(c(cn1)CO)c2ccccc2","InChI=1S/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3","","2012-03-27","2013-01-25","(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol","2013-01-25"],["UA9","[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate","C40 H56 N4 O7","COC1=CC(=O)N([CH]1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc3)N(C)C;CC(C)CC(C(=O)NC(C)CCC(=O)N1C(C(=CC1=O)OC)Cc2ccccc2)NC(=O)C(CC(C)C)OC(=O)C(Cc3ccccc3)N(C)C","InChI=1S/C40H56N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-18,25-28,31-33,35H,19-24H2,1-8H3,(H,41,47)(H,42,48)/t28-,31-,32-,33-,35-/m0/s1","","2023-01-31","2024-09-27","[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate","2024-02-21"],["UAA","URACIL-6-ACETIC ACID","C6 H6 N2 O4","O=C1NC(=CC(=O)N1)CC(=O)O;OC(=O)CC1=CC(=O)NC(=O)N1;C1=C(NC(=O)NC1=O)CC(=O)O","InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)","6-CARBOXYMETHYLURACIL","2002-01-14","2020-06-17","(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid",""],["BCL","BACTERIOCHLOROPHYLL A","C55 H74 Mg N4 O6","[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O;CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C","InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1","","1999-07-08","2023-09-23","",""],["BCM","BICYCLOMYCIN","C12 H18 N2 O7","O=C2NC1(OCCC(=C)C2(O)NC1=O)C(O)C(O)(C)CO;C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2;CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O","InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1","","2004-10-22","2011-06-04","(1S,6R)-6-hydroxy-5-methylidene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione",""],["UAB","4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide","C17 H26 N2 O","CC1CCN(CC1)C(=O)NCCCCc2ccccc2;CC1CCN(CC1)C(=O)NCCCCc2ccccc2","InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20)","","2021-02-09","2022-02-18","4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide","2022-02-23"],["UAC","(2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide","C45 H65 Cl N8 O6","C[CH](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N4CCNCC4;CC(C(=O)N1CCNCC1)N(CCC(C)(C)C)C(=O)C(C)N(C)C(=O)C(C)N(Cc2c[nH]c3c2ccc(c3)Cl)C(=O)C(C)N(C)C(=O)C(C)N(Cc4ccccc4)C(=O)C","InChI=1S/C45H65ClN8O6/c1-29(43(59)52(22-19-45(7,8)9)33(5)42(58)51-23-20-47-21-24-51)49(10)41(57)32(4)54(28-36-26-48-39-25-37(46)17-18-38(36)39)44(60)30(2)50(11)40(56)31(3)53(34(6)55)27-35-15-13-12-14-16-35/h12-18,25-26,29-33,47-48H,19-24,27-28H2,1-11H3/t29-,30-,31-,32-,33-/m0/s1","","2023-05-25","2024-04-26","(2~{S})-2-[[(2~{S})-2-[(6-chloranyl-1~{H}-indol-3-yl)methyl-[(2~{S})-2-[[(2~{S})-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-~{N}-(3,3-dimethylbutyl)-~{N}-[(2~{S})-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide","2024-05-01"],["BCN","BICINE","C6 H13 N O4","O=C(O)CN(CCO)CCO;OCCN(CCO)CC(O)=O;C(CO)N(CCO)CC(=O)O","InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)","","1999-07-08","2011-06-04","N,N-bis(2-hydroxyethyl)glycine",""],["BCO","Butyryl Coenzyme A","C25 H42 N7 O17 P3 S","O=P(O)(O)OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(=O)(O)OCC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC)C)(O)=O;CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} butanethioate (non-preferred name)","2008-10-14","2021-03-13","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} butanethioate (non-preferred name)",""],["UAD","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate","C14 H22 N2 O16 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OCC(O)C(O)C3O)O)O;O[CH]1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH]1O;C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O","InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13-/m0/s1","","2010-08-24","2011-06-04","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["UAE","~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide","C13 H24 N2 O","CC1CCN(CC1)C(=O)NC2CCCCC2;CC1CCN(CC1)C(=O)NC2CCCCC2","InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)","","2021-02-09","2022-02-18","~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide","2022-02-23"],["BCP","2-BROMO-6-CHLORO-PURINE","C5 H2 Br Cl N4","Clc1nc(Br)nc2ncnc12;Clc1nc(Br)nc2nc[nH]c12;c1[nH]c2c(n1)nc(nc2Cl)Br","InChI=1S/C5H2BrClN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11)","","2002-07-17","2011-06-04","2-bromo-6-chloro-7H-purine",""],["UAF","N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide","C16 H14 F3 N3 S","FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N(C)c1ccccc1;CN(C(=S)Cn1[nH]c2cccc2c1C(F)(F)F)c3ccccc3;CN(c1ccccc1)C(=S)Cn2c(c-3cccc3[nH]2)C(F)(F)F","InChI=1S/C16H14F3N3S/c1-21(11-6-3-2-4-7-11)14(23)10-22-15(16(17,18)19)12-8-5-9-13(12)20-22/h2-9,20H,10H2,1H3","","2022-08-15","2022-09-23","N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide","2022-09-28"],["BCQ","N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE","C31 H42 N4 O8 S2","O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4;C[CH]1ONC(=C1C[S](=O)(=O)C[CH](NC(=O)N2CCOCC2)C(=O)N[CH](CCc3ccccc3)CC[S](=O)(=O)c4ccccc4)C;CC1C(=C(NO1)C)CS(=O)(=O)CC(C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4","InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1","","2006-02-08","2024-09-27","N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide",""],["BCR","BETA-CAROTENE","C40 H56","C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C)C)C;CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C(C)(C)CCC1;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C","InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+","","2001-06-26","2011-06-04","beta,beta-carotene",""],["UAG","URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE","C28 H43 N5 O23 P2","O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(=O)N[CH](CCC(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1","","1999-07-08","2011-06-04","(2R)-2-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}pentanedioic acid (non-preferred name)",""],["BCS","BENZYLCYSTEINE","C10 H13 N O2 S","O=C(O)C(N)CSCc1ccccc1;N[CH](CSCc1ccccc1)C(O)=O;c1ccc(cc1)CSCC(C(=O)O)N","InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1","","1999-07-08","2024-09-27","S-benzyl-L-cysteine",""],["UAH","(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","C7 H10 N O5 P","Cc1ncc(cc1O)COP(O)(O)=O;Cc1ncc(CO[P](O)(O)=O)cc1O;Cc1c(cc(cn1)COP(=O)(O)O)O","InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12)","4'-deformyl pyidoxal phosphote","2016-03-15","2021-03-01","(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate","2017-03-29"],["UAI","2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol","C15 H14 Cl2 O2","CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2;CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O","InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3","","2023-01-31","2024-02-02","2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol","2024-02-07"],["BCT","BICARBONATE ION","C H O3","[O-]C(=O)O;OC([O-])=O;C(=O)(O)[O-]","InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1","","1999-07-08","2024-09-27","hydrogen carbonate",""],["BCU","(3R)-3,4-dihydro-2H-chromen-3-ylmethanol","C10 H12 O2","OCC1Cc2c(OC1)cccc2;OC[CH]1COc2ccccc2C1;c1ccc2c(c1)CC(CO2)CO","InChI=1S/C10H12O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8,11H,5-7H2/t8-/m1/s1","(3R)-3,4-dihydro-2H-1-benzopyran-3-ylmethanol","2012-03-28","2021-03-13","(3R)-3,4-dihydro-2H-chromen-3-ylmethanol","2013-01-25"],["UAJ","Chlorophacinone","C23 H15 Cl O3","c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4;Clc1ccc(cc1)[CH](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4;c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O","InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1","2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione","2020-05-06","2020-11-06","2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione","2020-11-11"],["UAK","4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide","C15 H22 N2 O","CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2;CC1CCN(CC1)C(=O)NC(C)c2ccccc2","InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1","","2021-02-09","2022-02-18","4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide","2022-02-23"],["BCV","D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE","C14 H23 N3 O6 S","O=C(O)C(NC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)C1CC1;N[CH](CCCC(=O)N[CH](CS)C(=O)N[CH](C1CC1)C(O)=O)C(O)=O;C1CC1C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H23N3O6S/c15-8(13(20)21)2-1-3-10(18)16-9(6-24)12(19)17-11(14(22)23)7-4-5-7/h7-9,11,24H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1","","2006-06-13","2011-06-04","N~6~-[(1R)-2-{[(R)-carboxy(cyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["BCW","6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-(ace\ntylamino)-2-deoxy-alpha-D-glucopyranose","C26 H45 N O19","C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)O)CO)O)O)O","InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)44-20-10(5-29)42-23(39)11(27-8(3)30)21(20)45-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-/m0/s1","","2010-01-26","2020-07-17","N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide",""],["UAL","(2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid","C4 H7 N3 O3","NC(=O)NC=C(N)C(O)=O;C(=C(C(=O)O)N)NC(=O)N","InChI=1S/C4H7N3O3/c5-2(3(8)9)1-7-4(6)10/h1H,5H2,(H,8,9)(H3,6,7,10)/b2-1-","","2010-02-05","2024-09-27","(Z)-3-(aminocarbonylamino)-2-azanyl-prop-2-enoic acid",""],["UAM","Amicoumacin A","C20 H29 N3 O7","O=C(N)CC(N)C(O)C(O)C(=O)NC(C2OC(=O)c1c(cccc1O)C2)CC(C)C;CC(C)C[CH](NC(=O)[CH](O)[CH](O)[CH](N)CC(N)=O)[CH]1Cc2cccc(O)c2C(=O)O1;CC(C)CC(C1Cc2cccc(c2C(=O)O1)O)NC(=O)C(C(C(CC(=O)N)N)O)O","InChI=1S/C20H29N3O7/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)14-7-10-4-3-5-13(24)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,25)(H,23,28)/t11-,12-,14-,17-,18-/m0/s1","","2014-09-25","2014-10-10","(2S,3S,4S)-4-amino-2,3-dihydroxy-N~1~-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}hexanediamide (non-preferred name)","2014-10-15"],["BCX","(3R)-3-amino-4-sulfanylbutanoic acid","C4 H9 N O2 S","O=C(O)CC(N)CS;N[CH](CS)CC(O)=O;C(C(CS)N)C(=O)O","InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1","","2001-06-05","2024-09-27","(3R)-3-amino-4-sulfanylbutanoic acid",""],["UAN","9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE","C7 H9 N5 O","CNC1=Nc2n(C)cnc2C(=O)N1;CNC1=Nc2c(ncn2C)C(=O)N1","InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11,13)","","2016-01-06","2016-07-15","9-methyl-2-(methylamino)-1H-purin-6-one","2016-07-20"],["BCY","CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZANONAN-2-ONE","C9 H15 N3 O2","O=CC2N1C(=O)C(N)(CCN1CC2)C;C[C]1(N)CCN2CC[CH](C=O)N2C1=O;CC1(CCN2CCC(N2C1=O)C=O)N","InChI=1S/C9H15N3O2/c1-9(10)3-5-11-4-2-7(6-13)12(11)8(9)14/h6-7H,2-5,10H2,1H3/t7-,9-/m0/s1","","1999-07-08","2011-06-04","(1S,7S)-7-amino-7-methyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde",""],["BCZ","3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID","C15 H28 N4 O4","O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O;CCC(CC)[CH](NC(C)=O)[CH]1[CH](O)[CH](C[CH]1NC(N)=N)C(O)=O;CCC(CC)C(C1C(CC(C1O)C(=O)O)NC(=N)N)NC(=O)C","InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1","BCX-1812","2002-03-18","2020-06-17","(1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid",""],["UAO","(5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one","C12 H12 N2 O","O=C1CC[CH](N1)c2[nH]c3ccccc3c2;c1ccc2c(c1)cc([nH]2)C3CCC(=O)N3","InChI=1S/C12H12N2O/c15-12-6-5-10(14-12)11-7-8-3-1-2-4-9(8)13-11/h1-4,7,10,13H,5-6H2,(H,14,15)/t10-/m0/s1","","2023-08-31","2024-09-06","(5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one","2024-09-11"],["BD0","[(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone","C22 H23 Cl F2 N2 O3","Oc1cc(O)c(cc1Cl)C(=O)N2CCC[CH]2c3ccc(CN4CCC(F)(F)C4)cc3;c1cc(ccc1CN2CCC(C2)(F)F)C3CCCN3C(=O)c4cc(c(cc4O)O)Cl","InChI=1S/C22H23ClF2N2O3/c23-17-10-16(19(28)11-20(17)29)21(30)27-8-1-2-18(27)15-5-3-14(4-6-15)12-26-9-7-22(24,25)13-26/h3-6,10-11,18,28-29H,1-2,7-9,12-13H2/t18-/m1/s1","1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium","2009-05-11","2023-05-11","[(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone",""],["UAP","4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid","C6 H8 O9 S","O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(O)C=1;O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;C1=C(OC(C(C1O)OS(=O)(=O)O)O)C(=O)O","InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4+,6+/m0/s1","4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid; 4-deoxy-2-O-sulfo-L-threo-hex-4-enuronic acid;\n4-deoxy-2-O-sulfo-threo-hex-4-enuronic acid","1999-07-08","2020-07-17","4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid",""],["UAQ","~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide","C12 H18 N2 O2","CC1CCN(CC1)C(=O)NCc2occc2;CC1CCN(CC1)C(=O)NCc2ccco2","InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)","","2021-02-09","2022-02-18","~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide","2022-02-23"],["BD1","3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE","C7 H10 O3","O1C2CC=CCC2OC1O;O[CH]1O[CH]2CC=CC[CH]2O1;C1C=CCC2C1OC(O2)O","InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+","","2003-03-14","2024-09-27","(2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol",""],["BD2","3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE","C27 H26 N2 O6","O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3;Oc1ccc(cc1)C(=O)N[CH]2CNCCC[CH]2OC(=O)c3ccc(cc3)C(=O)c4ccccc4O;c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O","InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1","BALANOL ANALOG 2","2003-12-01","2021-03-01","(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate",""],["UAR","URACIL ARABINOSE-5'-PHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1","","2000-12-18","2011-06-04","1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["UAS","Phenindione","C15 H10 O2","c1c2C(C(C(=O)c2ccc1)c3ccccc3)=O;O=C1C(c2ccccc2)C(=O)c3ccccc13;c1ccc(cc1)C2C(=O)c3ccccc3C2=O","InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H","2-phenyl-1H-indene-1,3(2H)-dione","2020-05-06","2021-03-13","2-phenyl-1H-indene-1,3(2H)-dione","2020-11-11"],["BD3","Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide","C23 H28 N8 O3","O=C(NCC=[N@H])C(NC(=O)c1cc(nn1C)C(C)(C)C)Cc3cc(c2nnc(o2)C=[N@H])ccc3;Cn1nc(cc1C(=O)N[CH](Cc2cccc(c2)c3oc(C=N)nn3)C(=O)NCC=N)C(C)(C)C;[H]N=CCNC(=O)C(Cc1cccc(c1)c2nnc(o2)C=N[H])NC(=O)c3cc(nn3C)C(C)(C)C","InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-8,10,12-13,16,24-25H,9,11H2,1-4H3,(H,26,32)(H,27,33)/b24-8+,25-13-/t16-/m0/s1","","2009-06-19","2024-09-27","Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide",""],["BD4","6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE","C19 H19 N3 O2","O=C4c3c2c1cc(ccc1n(c2cc(c3C(=O)N4)C)CCCN)C;Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1;Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C","InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)","","2005-01-07","2011-06-04","6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione",""],["UAT","4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide","C14 H20 N2 O","CC1CCN(CC1)C(=O)NCc2ccccc2;CC1CCN(CC1)C(=O)NCc2ccccc2","InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)","","2021-02-09","2022-02-18","4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide","2022-02-23"],["UAU","(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide","C23 H22 N6 O2","O=C(Nc1cnccc1N1CC(C)OCC1)c1ccnn2cc(nc21)c1ccccc1;C[CH]1CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc34)c5ccccc5;CC1CN(CCO1)c2ccncc2NC(=O)c3ccnn4c3nc(c4)c5ccccc5","InChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)/t16-/m0/s1","","2022-08-15","2023-03-17","(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide","2023-03-22"],["BD5","N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine","C35 H35 N3 O8","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc2ccc(O)cc2)Cc3ccccc3)Cc4ccc(O)cc4;OC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](Cc3ccc(O)cc3)NC(=O)OCc4ccccc4;c1ccc(cc1)CC(C(=O)NC(Cc2ccc(cc2)O)C(=O)O)NC(=O)C(Cc3ccc(cc3)O)NC(=O)OCc4ccccc4","InChI=1S/C35H35N3O8/c39-27-15-11-24(12-16-27)20-30(38-35(45)46-22-26-9-5-2-6-10-26)33(42)36-29(19-23-7-3-1-4-8-23)32(41)37-31(34(43)44)21-25-13-17-28(40)18-14-25/h1-18,29-31,39-40H,19-22H2,(H,36,42)(H,37,41)(H,38,45)(H,43,44)/t29-,30+,31-/m0/s1","","2009-06-22","2011-06-04","N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine",""],["UAV","(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione","C31 H48 O3","c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O;CC(C)CCCC(C)CCC[CH](C)CCCC(C)=CC[C]1(O)[CH](C)C(=O)c2ccccc2C1=O;CC1C(=O)c2ccccc2C(=O)C1(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)O","InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1","","2020-05-06","2020-11-06","(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione","2020-11-11"],["BD6","N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tryptophanamide","C35 H37 N7 O6","O=C(OCc1ccccc1)NC(C(=O)N(C)C(C(=O)NC(C(=O)NO)Cc3c2ccccc2nc3)Cc4ccccc4)Cc5cncn5;CN([CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)NO)C(=O)[CH](Cc4[nH]cnc4)NC(=O)OCc5ccccc5;CN(C(Cc1ccccc1)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)C(Cc4cnc[nH]4)NC(=O)OCc5ccccc5","InChI=1S/C35H37N7O6/c1-42(34(45)30(18-26-20-36-22-38-26)40-35(46)48-21-24-12-6-3-7-13-24)31(16-23-10-4-2-5-11-23)33(44)39-29(32(43)41-47)17-25-19-37-28-15-9-8-14-27(25)28/h2-15,19-20,22,29-31,37,47H,16-18,21H2,1H3,(H,36,38)(H,39,44)(H,40,46)(H,41,43)/t29-,30-,31-/m0/s1","","2009-06-22","2011-06-04","N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tryptophanamide",""],["UAW","~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide","C13 H18 N2 O2","CC1CCN(CC1)C(=O)Nc2ccc(O)cc2;CC1CCN(CC1)C(=O)Nc2ccc(cc2)O","InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17)","","2021-02-09","2022-02-18","~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide","2022-02-23"],["BD7","N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tyrosinamide","C33 H36 N6 O7","O=C(NO)C(NC(=O)C(N(C(=O)C(NC(=O)OCc1ccccc1)Cc2cncn2)C)Cc3ccccc3)Cc4ccc(O)cc4;CN([CH](Cc1ccccc1)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)NO)C(=O)[CH](Cc3[nH]cnc3)NC(=O)OCc4ccccc4;CN(C(Cc1ccccc1)C(=O)NC(Cc2ccc(cc2)O)C(=O)NO)C(=O)C(Cc3cnc[nH]3)NC(=O)OCc4ccccc4","InChI=1S/C33H36N6O7/c1-39(32(43)28(18-25-19-34-21-35-25)37-33(44)46-20-24-10-6-3-7-11-24)29(17-22-8-4-2-5-9-22)31(42)36-27(30(41)38-45)16-23-12-14-26(40)15-13-23/h2-15,19,21,27-29,40,45H,16-18,20H2,1H3,(H,34,35)(H,36,42)(H,37,44)(H,38,41)/t27-,28-,29-/m0/s1","","2009-06-22","2011-06-04","N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tyrosinamide",""],["BD8","N-undecanoyl-L-histidyl-L-phenylalanyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide","C43 H57 N7 O5","O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2ncnc2)Cc3ccccc3)Cc4ccc(O)cc4;CCCCCCCCCCC(=O)N[CH](Cc1c[nH]cn1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](Cc3ccc(O)cc3)C(=O)N(C)CCc4ccccn4;CCCCCCCCCCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4","InChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1","","2009-06-22","2011-06-04","N-undecanoyl-L-histidyl-L-phenylalanyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide",""],["UAX","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C31 H41 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NCc4ccccc4)O","InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23+,24+,25+/m1/s1","(S,S,R)-13b; ketoamide inhibitor 13b (bound)","2023-01-31","2024-09-27","~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2024-08-07"],["UAY","7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione","C13 H8 N2 O2 S","c1(ccccc1)c3sc2c(C(NC(C/2=N)=O)=O)c3;N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3;c1ccc(cc1)c2cc3c(s2)C(=N)C(=O)NC3=O","InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)/b14-10-","","2020-05-06","2020-05-15","(7E)-7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione","2020-05-20"],["BD9","N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide","C40 H55 N9 O5","O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2cncn2)Cc3ncnc3)Cc4ccc(O)cc4;CCCCCCCCCCC(=O)N[CH](Cc1[nH]cnc1)C(=O)N[CH](Cc2c[nH]cn2)C(=O)N[CH](Cc3ccc(O)cc3)C(=O)N(C)CCc4ccccn4;CCCCCCCCCCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4","InChI=1S/C40H55N9O5/c1-3-4-5-6-7-8-9-10-14-37(51)46-34(23-31-25-41-27-44-31)38(52)47-35(24-32-26-42-28-45-32)39(53)48-36(22-29-15-17-33(50)18-16-29)40(54)49(2)21-19-30-13-11-12-20-43-30/h11-13,15-18,20,25-28,34-36,50H,3-10,14,19,21-24H2,1-2H3,(H,41,44)(H,42,45)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-/m0/s1","","2009-06-22","2011-06-04","N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide",""],["BDA","4-METHYLBENZYL-N-BIS[DAUNOMYCIN]","C62 H66 N2 O20","O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O)C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)C%10)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH]([NH2+]Cc6ccc(C[NH2+][CH]7C[CH](O[CH](C)[CH]7O)O[CH]8C[C](O)(Cc9c(O)c%10C(=O)c%11cccc(OC)c%11C(=O)c%10c(O)c89)C(C)=O)cc6)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(C)=O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+]C7CC(OC(C7O)C)OC8CC(Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O","InChI=1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1","WP631","1999-07-08","2021-03-01","(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-aminium) (non-preferred name)",""],["UAZ","~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide","C14 H20 N2 O2","COc1ccc(NC(=O)N2CCC(C)CC2)cc1;CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC","InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17)","","2021-02-09","2022-02-18","~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide","2022-02-23"],["UB0","(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid","C46 H49 Cl N6 O12 S2","O=C1NC(=O)CCC1N1c2ccc(cc2OC1=O)C1CCN(CC1)CC(=O)Nc1cccc(c1)CS(=O)(=O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=O)O)c1Cl)C(=O)O;CC1(C)C[CH](CCN1[S](=O)(=O)Cc2cccc(NC(=O)CN3CCC(CC3)c4ccc5N([CH]6CCC(=O)NC6=O)C(=O)Oc5c4)c2)Nc7cccc(c7)c8sc(C(O)=O)c(OCC(O)=O)c8Cl;CC1(CC(CCN1S(=O)(=O)Cc2cccc(c2)NC(=O)CN3CCC(CC3)c4ccc5c(c4)OC(=O)N5C6CCC(=O)NC6=O)Nc7cccc(c7)c8c(c(c(s8)C(=O)O)OCC(=O)O)Cl)C","InChI=1S/C46H49ClN6O12S2/c1-46(2)22-32(48-31-8-4-6-29(20-31)41-39(47)40(64-24-38(56)57)42(66-41)44(59)60)15-18-52(46)67(62,63)25-26-5-3-7-30(19-26)49-37(55)23-51-16-13-27(14-17-51)28-9-10-33-35(21-28)65-45(61)53(33)34-11-12-36(54)50-43(34)58/h3-10,19-21,27,32,34,48H,11-18,22-25H2,1-2H3,(H,49,55)(H,56,57)(H,59,60)(H,50,54,58)/t32-,34+/m0/s1","","2023-08-31","2024-08-30","(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid","2024-09-04"],["BDB","4,4'-BIPHENYLDIBORONIC ACID","C12 H12 B2 O4","OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O;OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O;B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O","InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H","","2001-11-20","2024-09-27","biphenyl-4,4'-diyldiboronic acid",""],["BDC","BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE","C44 H54 N8 O2","O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6;CN(C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12;CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C","InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54)","BIS-DACA","2001-10-12","2021-03-01","9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}",""],["UB1","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid","C14 H13 Br2 N3 O6 S","Brc1c(c(sc1Br)C(=O)O)CN2C(=O)C(=CN(C2=O)CC(C(=O)O)N)C;CC1=CN(C[CH](N)C(O)=O)C(=O)N(Cc2c(Br)c(Br)sc2C(O)=O)C1=O;CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)CC(C(=O)O)N","InChI=1S/C14H13Br2N3O6S/c1-5-2-18(4-7(17)12(21)22)14(25)19(11(5)20)3-6-8(15)10(16)26-9(6)13(23)24/h2,7H,3-4,17H2,1H3,(H,21,22)(H,23,24)/t7-/m0/s1","","2007-09-11","2011-06-04","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid",""],["UB2","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-alanyl-L-leucine","C18 H28 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H28N3O7P/c1-12(2)9-15(17(23)24)20-16(22)13(3)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/t13-,15-/m0/s1","","2009-02-05","2011-06-04","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-alanyl-L-leucine",""],["BDD","BROMO-DODECANOL","C12 H25 Br O","BrCCCCCCCCCCCCO;OCCCCCCCCCCCCBr;C(CCCCCCBr)CCCCCO","InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2","","2002-11-26","2011-06-04","12-bromododecan-1-ol",""],["UB3","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine","C20 H32 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)C(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(C)C)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H32N3O7P/c1-13(2)10-16(19(25)26)22-18(24)17(14(3)4)23-31(28,29)12-21-20(27)30-11-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/t16-,17-/m0/s1","","2008-12-22","2011-06-04","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine",""],["BDE","N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE","C13 H9 Br2 N3 O3","O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)c2cccnc2;Oc1c(Br)cc(C=NNC(=O)c2cccnc2)c(O)c1Br;c1cc(cnc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br","InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+","","2006-04-10","2011-06-04","N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide",""],["BDF","beta-D-fructopyranose","C6 H12 O6","OC1C(O)(OCC(O)C1O)CO;OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1","beta-D-fructose; D-fructose; fructose","2002-11-01","2024-09-27","beta-D-fructopyranose",""],["UB4","(2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid","C11 H12 N2 O2 S","C(O)(C(CCc2nc1ccccc1s2)N)=O;N[CH](CCc1sc2ccccc2n1)C(O)=O;c1ccc2c(c1)nc(s2)CCC(C(=O)O)N","InChI=1S/C11H12N2O2S/c12-7(11(14)15)5-6-10-13-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6,12H2,(H,14,15)/t7-/m0/s1","","2020-05-06","2024-09-27","(2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid","2020-05-20"],["BDG","2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose","C6 H14 N2 O4","OC1C(O)C(OC(O)C1N)CN;NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)N","InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1","O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE; 2,6-diamino-2,6-dideoxy-alpha-D-glucose;\n2,6-diamino-2,6-dideoxy-D-glucose; 2,6-diamino-2,6-dideoxy-glucose","1999-07-08","2020-07-17","2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose",""],["UB5","4-methyl-~{N}-pentyl-piperidine-1-carboxamide","C12 H24 N2 O","CCCCCNC(=O)N1CCC(C)CC1;CCCCCNC(=O)N1CCC(CC1)C","InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)","","2021-02-09","2022-02-18","4-methyl-~{N}-pentyl-piperidine-1-carboxamide","2022-02-23"],["UB6","(5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide","C27 H32 N6 O3 S","CCC(=O)NC1CCCC1NC(=O)c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C;CCC(=O)N[CH]1CCC[CH]1NC(=O)c2sc3nccc4N(C(=O)Nc2c34)c5cnc(CC(C)C)cc5C;CCC(=O)NC1CCCC1NC(=O)c2c3c4c(ccnc4s2)N(C(=O)N3)c5cnc(cc5C)CC(C)C","InChI=1S/C27H32N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h9-10,12-14,17-18H,5-8,11H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1","","2022-08-16","2024-09-27","(5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide","2022-11-16"],["BDH","L-BETA-ASPARTYLHISTIDINE","C10 H14 N4 O5","O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1;N[CH](CC(=O)N[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O;c1c([nH]cn1)CC(C(=O)O)NC(=O)CC(C(=O)O)N","InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1","","2005-02-01","2011-06-04","L-beta-aspartyl-L-histidine",""],["BDI","2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE","C9 H12 N4 O2","O=C2c1nc(nc1C(=O)NN2)CCCC;CCCCc1[nH]c2C(=O)NNC(=O)c2n1;CCCCc1[nH]c2c(n1)C(=O)NNC2=O","InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)","","2002-11-05","2011-06-04","2-butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione",""],["UB7","terephthalic acid","C8 H6 O4","c1c(ccc(c1)C(O)=O)C(=O)O;OC(=O)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)C(=O)O","InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)","benzene-1,4-dicarboxylic acid","2020-05-06","2021-03-13","benzene-1,4-dicarboxylic acid","2020-09-16"],["UB8","(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid","C15 H8 Cl3 N O2","Clc1ccccc1c1c2cc(Cl)c(Cl)cc2[NH]c1C(=O)O;OC(=O)c1[nH]c2cc(Cl)c(Cl)cc2c1c3ccccc3Cl;c1ccc(c(c1)c2c3cc(c(cc3[nH]c2C(=O)O)Cl)Cl)Cl","InChI=1S/C15H8Cl3NO2/c16-9-4-2-1-3-7(9)13-8-5-10(17)11(18)6-12(8)19-14(13)15(20)21/h1-6,19H,(H,20,21)","","2023-05-09","2023-06-09","(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid","2023-06-14"],["BDJ","(2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one","C12 H14 Cl N3 O","CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O;CC1(C(=O)N(C(=N)N1)Cc2cccc(c2)Cl)C","InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15)","","2010-01-11","2011-06-04","3-[(3-chlorophenyl)methyl]-2-imino-5,5-dimethyl-imidazolidin-4-one",""],["BDK","2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE","C23 H30 F2 N6 O5 S","O=C(NCCN1CCOCC1)C(F)(F)C(=O)C(NC(=O)CN2C(=NC=C(N)C2=O)c3sccc3)C(C)C;CC(C)[CH](NC(=O)CN1C(=O)C(=CN=C1c2sccc2)N)C(=O)C(F)(F)C(=O)NCCN3CCOCC3;CC(C)C(C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3","InChI=1S/C23H30F2N6O5S/c1-14(2)18(19(33)23(24,25)22(35)27-5-6-30-7-9-36-10-8-30)29-17(32)13-31-20(16-4-3-11-37-16)28-12-15(26)21(31)34/h3-4,11-12,14,18H,5-10,13,26H2,1-2H3,(H,27,35)(H,29,32)/t18-/m0/s1","","1999-07-08","2024-09-27","(4S)-4-{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide",""],["UB9","2,6-dimethoxy-4-methylphenol","C9 H12 O3","COc1cc(C)cc(OC)c1O;COc1cc(C)cc(OC)c1O;Cc1cc(c(c(c1)OC)O)OC","InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3","","2023-09-01","2024-07-19","2,6-dimethoxy-4-methylphenol","2024-07-24"],["UBA","(S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE","C14 H15 N3 O6 S","O=C(O)C(N)CN1C(=O)N(C(=O)C(=C1)C)Cc2c(scc2)C(=O)O;CC1=CN(C[CH](N)C(O)=O)C(=O)N(Cc2ccsc2C(O)=O)C1=O;CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)CC(C(=O)O)N","InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1","","2005-12-06","2011-06-04","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid",""],["BDL","N-(biphenyl-4-ylsulfonyl)-D-leucine","C18 H21 N O4 S","O=C(O)C(NS(=O)(=O)c2ccc(c1ccccc1)cc2)CC(C)C;CC(C)C[CH](N[S](=O)(=O)c1ccc(cc1)c2ccccc2)C(O)=O;CC(C)CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2","InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1","(R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid","2008-09-18","2020-06-17","N-(biphenyl-4-ylsulfonyl)-D-leucine",""],["UBB","2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O7 P","O=C1NC(=O)N(C=C1)C2OC(CC2)COP(=O)(O)O;O[P](O)(=O)OC[CH]1CC[CH](O1)N2C=CC(=O)NC2=O;C1CC(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O","InChI=1S/C9H13N2O7P/c12-7-3-4-11(9(13)10-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H,10,12,13)(H2,14,15,16)/t6-,8+/m0/s1","","2003-02-13","2024-09-27","[(2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate",""],["BDM","BRODIMOPRIM-4,6-DICARBOXYLATE","C20 H24 Br N4 O6","[O-]C(=O)C(CCC([O-])=O)CCCOc1c(Br)c(OC)cc(c1)Cc2c(nc(N)[nH+]c2)N;COc1cc(Cc2c[nH+]c(N)nc2N)cc(OCCC[CH](CCC([O-])=O)C([O-])=O)c1Br;COc1cc(cc(c1Br)OCCCC(CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N","InChI=1S/C20H25BrN4O6/c1-30-14-8-11(7-13-10-24-20(23)25-18(13)22)9-15(17(14)21)31-6-2-3-12(19(28)29)4-5-16(26)27/h8-10,12H,2-7H2,1H3,(H,26,27)(H,28,29)(H4,22,23,24,25)/p-1/t12-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate",""],["BDN","BENZAMIDINE","C7 H8 N2","[N@H]=C(N)c1ccccc1;NC(=N)c1ccccc1;c1ccc(cc1)C(=N)N","InChI=1/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/f/h8H,9H2","","1999-07-08","2008-10-14","benzenecarboximidamide",""],["UBC","(S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONE","C15 H15 N3 O6","O=C(O)c1ccccc1CN2C(=O)C=CN(C2=O)CC(N)C(=O)O;N[CH](CN1C=CC(=O)N(Cc2ccccc2C(O)=O)C1=O)C(O)=O;c1ccc(c(c1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O","InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1","","2005-12-07","2011-06-04","2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid",""],["BDO","(2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one","C15 H20 Cl N3 O","CC(C)C[C]1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O;CC(C)CC1(C(=O)N(C(=N)N1)Cc2cccc(c2)Cl)C","InChI=1S/C15H20ClN3O/c1-10(2)8-15(3)13(20)19(14(17)18-15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H2,17,18)/t15-/m1/s1","","2010-01-11","2011-06-04","(5R)-3-[(3-chlorophenyl)methyl]-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one",""],["UBD","URIDINE 3',5'-BIS(DIHYDROGEN PHOSPHATE)","C9 H14 N2 O12 P2","O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1","","2007-06-07","2013-03-22","uridine 3',5'-bis(dihydrogen phosphate)","2013-03-27"],["UBE","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid","C20 H19 N3 O6 S","O=C(O)c1sc(cc1CN2C(=O)C(=CN(C2=O)CC(C(=O)O)N)C)c3ccccc3;CC1=CN(C[CH](N)C(O)=O)C(=O)N(Cc2cc(sc2C(O)=O)c3ccccc3)C1=O;CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)CC(C(=O)O)N","InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1","","2007-09-11","2011-06-04","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid",""],["BDP","beta-D-glucopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1","beta-D-glucuronic acid; D-glucuronic acid; glucuronic acid","2001-11-26","2024-09-27","beta-D-glucopyranuronic acid",""],["BDQ","1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea","C24 H28 N6 O2","CC(C)C[C]1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccc(cc3)C#N)cc2)C1=O;CC(C)CC1(C(=O)N(C(=N)N1)Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)C","InChI=1S/C24H28N6O2/c1-16(2)12-24(3)21(31)30(22(26)29-24)15-19-6-4-18(5-7-19)14-27-23(32)28-20-10-8-17(13-25)9-11-20/h4-11,16H,12,14-15H2,1-3H3,(H2,26,29)(H2,27,28,32)/t24-/m1/s1","","2010-01-11","2011-06-04","1-(4-cyanophenyl)-3-[[4-[[(4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxo-imidazolidin-1-yl]methyl]phenyl]methyl]urea",""],["UBF","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid","C13 H12 Br N3 O6 S","O=C(O)C(N)CN1C(=O)N(C(=O)C(Br)=C1)Cc2c(scc2)C(=O)O;N[CH](CN1C=C(Br)C(=O)N(Cc2ccsc2C(O)=O)C1=O)C(O)=O;c1csc(c1CN2C(=O)C(=CN(C2=O)CC(C(=O)O)N)Br)C(=O)O","InChI=1S/C13H12BrN3O6S/c14-7-4-16(5-8(15)11(19)20)13(23)17(10(7)18)3-6-1-2-24-9(6)12(21)22/h1-2,4,8H,3,5,15H2,(H,19,20)(H,21,22)/t8-/m0/s1","","2007-09-11","2011-06-04","3-({3-[(2S)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid",""],["UBG","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C27 H34 N9 O18 P3","P(O)(OP(OCC(C(C(CN2c3c(N=C1C(NC(N=C12)=O)=O)cc(c(C)c3)C)O)O)O)(O)=O)(=O)OCC4OC(C(C4OP(=O)(O)O)O)n5c6c(nc5)c(N)ncn6;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc56)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O","InChI=1S/C27H34N9O18P3/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(41)34-27(42)33-24)5-14(37)19(39)15(38)6-50-56(46,47)54-57(48,49)51-7-16-21(53-55(43,44)45)20(40)26(52-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-40H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,28,29,30)(H,34,41,42)(H2,43,44,45)/t14-,15+,16+,19-,20+,21+,26+/m0/s1","","2020-05-06","2020-05-15","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2020-05-20"],["BDR","beta-D-ribofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1","beta-D-ribose; D-ribose; ribose; BETA-D-RIBOFURANOSYL","1999-07-08","2020-07-17","beta-D-ribofuranose",""],["BDS","2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID","C20 H18 O8","O=C(O)C(Cc2ccc1OCOc1c2)C(C(=O)O)Cc3ccc4OCOc4c3;OC(=O)[CH](Cc1ccc2OCOc2c1)[CH](Cc3ccc4OCOc4c3)C(O)=O;c1cc2c(cc1CC(C(Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2","InChI=1S/C20H18O8/c21-19(22)13(5-11-1-3-15-17(7-11)27-9-25-15)14(20(23)24)6-12-2-4-16-18(8-12)28-10-26-16/h1-4,7-8,13-14H,5-6,9-10H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1","","2001-07-11","2011-06-04","(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid",""],["UBH","3-O-methyl-alpha-D-rhamnopyranose","C7 H14 O5","OC1C(OC)C(O)C(C)OC1O;CO[CH]1[CH](O)[CH](C)O[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)OC)O","InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m1/s1","6-deoxy-3-O-methyl-alpha-D-mannopyranose","2022-08-16","2022-09-16","6-deoxy-3-O-methyl-alpha-D-mannopyranose","2022-09-21"],["UBI","2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","C14 H22 N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(C(=O)NCC(C)C)=C1)CC2O;CC(C)CNC(=O)C1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC(C)CNC(=O)C1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C14H22N3O9P/c1-7(2)4-15-12(19)8-5-17(14(21)16-13(8)20)11-3-9(18)10(26-11)6-25-27(22,23)24/h5,7,9-11,18H,3-4,6H2,1-2H3,(H,15,19)(H,16,20,21)(H2,22,23,24)/t9-,10+,11+/m0/s1","","2012-11-07","2012-11-16","2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","2012-11-16"],["BDT","5-beta-DIHYDROTESTOSTERONE","C19 H30 O2","O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C;C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C","InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1","(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one","2008-07-15","2020-06-17","(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one",""],["UBK","(2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone","C35 H41 N3 O8 S","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)NC(=O)COc4cccc2c4)c5sccc5)cc1OC;CC1(C(=O)NC(C(=O)N2CCCCC2C(=O)OC(c3cccc(c3)OCC(=O)N1)CCc4ccc(c(c4)OC)OC)c5cccs5)C","InChI=1S/C35H41N3O8S/c1-35(2)34(42)36-31(29-12-8-18-47-29)32(40)38-17-6-5-11-25(38)33(41)46-26(15-13-22-14-16-27(43-3)28(19-22)44-4)23-9-7-10-24(20-23)45-21-30(39)37-35/h7-10,12,14,16,18-20,25-26,31H,5-6,11,13,15,17,21H2,1-4H3,(H,36,42)(H,37,39)/t25-,26+,31+/m0/s1","","2023-02-01","2023-04-21","(2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone","2023-04-26"],["BDU","ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC","C25 H30 N2 O9","O=C(c2ccc(c1ccccc1)cc2)NCC(O)C(O)C3OC(OC)(C(=O)O)CC(O)C3NC(=O)C;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CNC(=O)c2ccc(cc2)c3ccccc3)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O","InChI=1S/C25H30N2O9/c1-14(28)27-20-18(29)12-25(35-2,24(33)34)36-22(20)21(31)19(30)13-26-23(32)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-22,29-31H,12-13H2,1-2H3,(H,26,32)(H,27,28)(H,33,34)/t18-,19+,20+,21+,22+,25+/m0/s1","","2003-02-14","2011-06-04","methyl 5-(acetylamino)-9-[(biphenyl-4-ylcarbonyl)amino]-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["BDV","1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea","C21 H33 N5 O2","CCCCNC(=O)NCc1ccc(CN2C(=N)N[C](C)(CC(C)C)C2=O)cc1;CCCCNC(=O)NCc1ccc(cc1)CN2C(=O)C(NC2=N)(C)CC(C)C","InChI=1S/C21H33N5O2/c1-5-6-11-23-20(28)24-13-16-7-9-17(10-8-16)14-26-18(27)21(4,12-15(2)3)25-19(26)22/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,25)(H2,23,24,28)/t21-/m1/s1","","2010-01-11","2011-06-04","1-butyl-3-[[4-[[(4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxo-imidazolidin-1-yl]methyl]phenyl]methyl]urea",""],["UBL","[(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate","C21 H41 O7 P","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1","","2023-05-25","2023-10-27","[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] (~{Z})-octadec-9-enoate","2023-11-01"],["BDW","(4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one","C32 H49 N5 O2","CCC[CH]1CN(Cc2ccc(CN3C(=N)N[C](CCC4CCCCC4)(CC5CCCCC5)C3=O)cc2)C(=O)N1;CCCC1CN(C(=O)N1)Cc2ccc(cc2)CN3C(=O)C(NC3=N)(CCC4CCCCC4)CC5CCCCC5","InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1","","2010-01-11","2011-06-04","(5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-[[4-[[(4S)-2-oxo-4-propyl-imidazolidin-1-yl]methyl]phenyl]methyl]imidazolidin-4-one",""],["UBM","COENZYME F420-4","C39 H50 N7 O24 P","C1(NC(=O)N=C3C1=Cc2ccc(cc2N3CC(C(C(COP(=O)(O)OC(C)C(NC(C(=O)O)CCC(NC(C(O)=O)CCC(NC(C(=O)O)CCC(NC(C(O)=O)CCC(O)=O)=O)=O)=O)=O)O)O)O)O)=O;C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O","InChI=1S/C39H50N7O24P/c1-16(70-71(67,68)69-15-26(49)31(55)25(48)14-46-24-13-18(47)3-2-17(24)12-19-32(46)44-39(66)45-34(19)57)33(56)43-23(38(64)65)6-10-29(52)41-21(36(60)61)4-8-27(50)40-20(35(58)59)5-9-28(51)42-22(37(62)63)7-11-30(53)54/h2-3,12-13,16,20-23,25-26,31,47-49,55H,4-11,14-15H2,1H3,(H,40,50)(H,41,52)(H,42,51)(H,43,56)(H,53,54)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,67,68)(H,45,57,66)/t16-,20-,21-,22-,23-,25-,26+,31-/m0/s1","(2~{S})-2-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanyl\nidene-4-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)-1~{H}-pyrim\nido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanedi\noic acid","2020-05-07","2021-04-30","(3S,8S,13S,18S,21S,23R,26R,27S,28S)-23,26,27,28-tetrahydroxy-29-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-21-methyl-5,10,15,20-tetraoxo-22,24-dioxa-4,9,14,19-tetraaza-23-phosphanonacosane-1,3,8,13,18-pentacarboxylic acid 23-oxide (non-preferred name)","2021-05-05"],["BDX","(2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one","C19 H33 N3 O","CN1C(=N)N[C](CCC2CCCCC2)(CC3CCCCC3)C1=O;CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCCC3","InChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1","","2010-01-11","2011-06-04","(5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methyl-imidazolidin-4-one",""],["UBN","4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide","C15 H30 N2 O","CCCCCCCCNC(=O)N1CCC(C)CC1;CCCCCCCCNC(=O)N1CCC(CC1)C","InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)","","2021-02-09","2022-02-18","4-methyl-~{N}-octyl-piperidine-1-carboxamide","2022-02-23"],["BDY","N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine","C27 H30 Cl2 N6 O","Nc1ncc(nc1NCc2c(Cl)cccc2Cl)c3ccc(cc3)C(=O)N4CCC[CH]4CN5CCCC5;c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCCC4CN5CCCC5)N)Cl","InChI=1S/C27H30Cl2N6O/c28-22-6-3-7-23(29)21(22)15-32-26-25(30)31-16-24(33-26)18-8-10-19(11-9-18)27(36)35-14-4-5-20(35)17-34-12-1-2-13-34/h3,6-11,16,20H,1-2,4-5,12-15,17H2,(H2,30,31)(H,32,33)/t20-/m1/s1","","2010-01-20","2011-06-04","[4-[5-azanyl-6-[(2,6-dichlorophenyl)methylamino]pyrazin-2-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone",""],["UBO","beta-D-rhamnopyranose","C6 H12 O5","OC1C(O)C(C)OC(O)C1O;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)O)O)O","InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m1/s1","6-deoxy-beta-D-mannopyranose","2022-08-16","2022-09-16","6-deoxy-beta-D-mannopyranose","2022-09-21"],["BDZ","6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace\ntylamino)-2-deoxy-beta-D-glucopyranose","C26 H45 N O19","C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)CO)O)NC(=O)C)O)O)O","InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1","","2010-01-26","2020-07-17","N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide",""],["UBP","3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine","C10 H13 N3 O6","O=C(O)C(N)CN1C=CC(=O)N(C1=O)CCC(=O)O;N[CH](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O;C1=CN(C(=O)N(C1=O)CCC(=O)O)CC(C(=O)O)N","InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m0/s1","(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione","2009-04-09","2021-03-13","3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine",""],["UBQ","4-methyl-~{N}-undecyl-pyridine-1-carboxamide","C18 H36 N2 O","CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1;CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C","InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1","","2021-02-09","2022-02-18","4-methyl-~{N}-undecyl-3,4,5,6-tetrahydro-2~{H}-pyridine-1-carboxamide","2022-02-23"],["BE0","piperidine-1-sulfonamide","C5 H12 N2 O2 S","O=S(=O)(N)N1CCCCC1;N[S](=O)(=O)N1CCCCC1;C1CCN(CC1)S(=O)(=O)N","InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)","","2010-03-11","2011-06-04","piperidine-1-sulfonamide",""],["UBR","5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)","C9 H12 Br N2 O8 P","BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O","InChI=1/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","2008-03-26","2009-04-07","5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["BE1","N-BROMOACETYL-AMINOETHYL PHOSPHATE","C4 H9 Br N O5 P","O=P(O)(OCCN(Br)C(=O)C)O;CC(=O)N(Br)CCO[P](O)(O)=O;CC(=O)N(CCOP(=O)(O)O)Br","InChI=1S/C4H9BrNO5P/c1-4(7)6(5)2-3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10)","","2000-03-08","2024-09-27","2-[acetyl(bromo)amino]ethyl dihydrogen phosphate",""],["UBS","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-valine","C20 H32 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C(C)C;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](C(C)C)C(O)=O;CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H32N3O7P/c1-13(2)10-16(18(24)22-17(14(3)4)19(25)26)23-31(28,29)12-21-20(27)30-11-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/t16-,17-/m0/s1","","2011-08-03","2012-07-27","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-valine",""],["BE2","2-AMINOBENZOIC ACID","C7 H7 N O2","O=C(O)c1ccccc1N;Nc1ccccc1C(O)=O;c1ccc(c(c1)C(=O)O)N","InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)","","1999-07-08","2024-09-27","2-aminobenzoic acid",""],["BE3","N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]","C38 H38 F2 N2 O8","Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3cccc(F)c3)[CH](O)[CH](O)[CH](OCc4cccc(F)c4)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O","InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1","INHIBITOR BEA403","2004-08-10","2020-06-17","(2R,3R,4R,5R)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["UBT","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine","C17 H26 N3 O7 P","O=C(O)CNC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(O)=O;CC(C)CC(C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/t14-/m0/s1","","2011-08-03","2012-07-27","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine",""],["BE4","(2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN\nEDIAMIDE","C38 H36 F4 N2 O8","Fc1ccc(c(F)c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccc(F)cc4F)C(=O)NC6c5ccccc5CC6O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccc(F)cc3F)[CH](O)[CH](O)[CH](OCc4ccc(F)cc4F)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O","InChI=1S/C38H36F4N2O8/c39-23-11-9-21(27(41)15-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)13-29(31)45)33(47)34(48)36(52-18-22-10-12-24(40)16-28(22)42)38(50)44-32-26-8-4-2-6-20(26)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1","INHIBITOR BEA403","2004-08-10","2020-06-17","(2R,3R,4R,5R)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["UBU","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide","C17 H28 N3 O5 P","O=C(NCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/t15-/m0/s1","","2011-08-03","2012-07-27","N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide",""],["BE5","(2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN\nEDIAMIDE","C38 H36 F4 N2 O8","Fc1cccc(c1F)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4F)C(=O)NC6c5ccccc5CC6O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3cccc(F)c3F)[CH](O)[CH](O)[CH](OCc4cccc(F)c4F)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O","InChI=1S/C38H36F4N2O8/c39-25-13-5-9-21(29(25)41)17-51-35(37(49)43-31-23-11-3-1-7-19(23)15-27(31)45)33(47)34(48)36(52-18-22-10-6-14-26(40)30(22)42)38(50)44-32-24-12-4-2-8-20(24)16-28(32)46/h1-14,27-28,31-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1","HIV-1 INHIBITOR","2004-08-10","2020-06-17","(2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["UBV","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine","C21 H34 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C(C)CC;CC[CH](C)[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H34N3O7P/c1-5-15(4)18(20(26)27)23-19(25)17(11-14(2)3)24-32(29,30)13-22-21(28)31-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t15-,17-,18-/m0/s1","","2011-08-03","2012-07-27","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine",""],["UBW","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-norvaline","C20 H32 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CCC;CCC[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CCCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H32N3O7P/c1-4-8-16(19(25)26)22-18(24)17(11-14(2)3)23-31(28,29)13-21-20(27)30-12-15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,4,8,11-13H2,1-3H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/t16-,17-/m0/s1","","2011-08-03","2012-07-27","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-norvaline",""],["BE6","(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE","C38 H36 F4 N2 O8","Fc1cc(c(F)cc1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cc(F)ccc4F)C(=O)NC6c5ccccc5CC6O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3cc(F)ccc3F)[CH](O)[CH](O)[CH](OCc4cc(F)ccc4F)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O","InChI=1S/C38H36F4N2O8/c39-23-9-11-27(41)21(13-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)15-29(31)45)33(47)34(48)36(52-18-22-14-24(40)10-12-28(22)42)38(50)44-32-26-8-4-2-6-20(26)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1","HIV-1 INHIBITOR","2004-08-10","2021-03-01","(2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["BE7","(4-CARBOXYPHENYL)(CHLORO)MERCURY","C7 H5 Cl Hg O2","O=C(O)c1ccc([Hg]Cl)cc1;OC(=O)c1ccc([Hg]Cl)cc1;c1cc(ccc1C(=O)O)[Hg]Cl","InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1","P-CHLOROMERCURIBENZOIC ACID;(4-carboxyphenyl)-chloranyl-mercury","2005-09-13","2024-09-27","(4-carboxyphenyl)(chloro)mercury",""],["UBX","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-methyl-L-leucinamide","C16 H26 N3 O5 P","O=C(NC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C;CNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1;CC(C)CC(C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C16H26N3O5P/c1-12(2)9-14(15(20)17-3)19-25(22,23)11-18-16(21)24-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,20)(H,18,21)(H2,19,22,23)/t14-/m0/s1","","2011-08-03","2012-07-27","N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-methyl-L-leucinamide",""],["UBY","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-alanine","C18 H28 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](C)C(O)=O;CC(C)CC(C(=O)NC(C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/t13-,15-/m0/s1","","2011-08-03","2012-07-27","N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-alanine",""],["BE8","[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid","C29 H54 B N5 O7 S","O=C(N3C(C(=O)NC(B(O)O)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C(C)(C)C)CN(C)S(=O)(=O)C)C(C)(C)C;CN(C[CH](NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CC3CCC3)B(O)O)C2(C)C)C(C)(C)C)C(C)(C)C)[S](C)(=O)=O;B(C(CC1CCC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(CN(C)S(=O)(=O)C)C(C)(C)C)(O)O","InChI=1S/C29H54BN5O7S/c1-27(2,3)19(16-34(9)43(10,41)42)31-26(38)33-23(28(4,5)6)25(37)35-15-18-21(29(18,7)8)22(35)24(36)32-20(30(39)40)14-17-12-11-13-17/h17-23,39-40H,11-16H2,1-10H3,(H,32,36)(H2,31,33,38)/t18-,19+,20-,21-,22-,23+/m0/s1","","2008-11-03","2024-09-27","[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid",""],["UBZ","(2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid","C19 H30 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC;CC[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;CCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C19H30N3O7P/c1-4-15(18(24)25)21-17(23)16(10-13(2)3)22-30(27,28)12-20-19(26)29-11-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t15-,16-/m0/s1","","2011-08-03","2012-07-27","(2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid",""],["BE9","phenyl N-sulfamoylmorpholine-4-carboximidoate","C11 H15 N3 O4 S","O=S(=O)(/N=C(Oc1ccccc1)N2CCOCC2)N;N[S](=O)(=O)N=C(Oc1ccccc1)N2CCOCC2;c1ccc(cc1)OC(=NS(=O)(=O)N)N2CCOCC2","InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11-","","2010-03-09","2011-06-04","phenyl N-sulfamoylmorpholine-4-carboximidoate",""],["BEA","5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE","C9 H8 N3 S","n2[nH+]c3sc1c(c(ccc1)C)n3c2;Cc1cccc2sc3[nH+]ncn3c12;Cc1cccc2c1n3cn[nH+]c3s2","InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3/p+1","TRICYCLAZOLE","1999-07-08","2021-03-01","5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium",""],["UC0","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C34 H38 Cl N O8 S","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](CC=C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(CC=C)c4ccc(s4)Cl","InChI=1S/C34H38ClNO8S/c1-4-8-25(30-16-17-31(35)45-30)33(39)36-18-6-5-11-26(36)34(40)44-27(23-9-7-10-24(20-23)43-21-32(37)38)14-12-22-13-15-28(41-2)29(19-22)42-3/h4,7,9-10,13,15-17,19-20,25-27H,1,5-6,8,11-12,14,18,21H2,2-3H3,(H,37,38)/t25-,26+,27-/m1/s1","","2023-02-01","2023-04-21","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2023-04-26"],["BEB","N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]","C38 H40 N2 O8","O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3)[CH](O)[CH](O)[CH](OCc4ccccc4)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc(cc1)COC(C(C(C(C(=O)NC2c3ccccc3CC2O)OCc4ccccc4)O)O)C(=O)NC5c6ccccc6CC5O","InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1","INHIBITOR BEA369","2000-01-31","2020-06-17","(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["UC1","2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE","C17 H18 Cl N O2 S","S=C(Nc1ccc(Cl)c(OCC=C(/C)C)c1)c2c(occ2)C;CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl;Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl","InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)","UC781","1999-07-08","2021-03-01","N-{4-chloro-3-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2-methylfuran-3-carbothioamide",""],["BEC","[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE","C35 H43 N3 O8","O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(C)C;CNC(=O)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O)[CH](O)[CH](OCc2ccccc2)C(=O)N[CH]3[CH](O)Cc4ccccc34)C(C)C;CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC1c2ccccc2CC1O)OCc3ccccc3)O)O)OCc4ccccc4","InChI=1S/C35H43N3O8/c1-21(2)27(33(42)36-3)37-34(43)31(45-19-22-12-6-4-7-13-22)29(40)30(41)32(46-20-23-14-8-5-9-15-23)35(44)38-28-25-17-11-10-16-24(25)18-26(28)39/h4-17,21,26-32,39-41H,18-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44)/t26-,27+,28+,29-,30-,31-,32-/m1/s1","INHIBITOR BEA388","2000-01-31","2020-06-17","(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide (non-preferred name)",""],["UC2","N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE","C17 H19 Cl N2 O2 S","S=C(Nc1cc(C=NOC(C)(C)C)c(Cl)cc1)c2c(occ2)C;Cc1occc1C(=S)Nc2ccc(Cl)c(C=NOC(C)(C)C)c2;Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)(C)C)Cl","InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+","UC10","1999-07-08","2020-06-17","N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide",""],["BED","N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]","C38 H38 F2 N2 O8","Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3F)[CH](O)[CH](O)[CH](OCc4ccccc4F)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O","InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1","INHIBITOR BEA403","2000-01-31","2020-06-17","(2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["UC3","1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE","C14 H18 Cl N O3 S","O=C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C;CC(C)OC(=S)Nc1ccc(Cl)c(c1)C(=O)OC(C)C;CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C","InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20)","UC38","1999-07-08","2020-06-17","1-methylethyl 2-chloro-5-{[(1-methylethoxy)carbonothioyl]amino}benzoate",""],["UC4","1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE","C16 H18 Cl N O4 S","O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(Cl)cc2;CC(C)OC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1Cl;CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl","InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)","UC84","1999-07-08","2020-06-17","1-methylethyl 2-chloro-5-{[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl]amino}benzoate",""],["BEE","N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]","C40 H50 N4 O8 S2","O=C(NC)C(NC(=O)C(OCc2ccc(c1ccsc1)cc2)C(O)C(O)C(OCc4ccc(c3ccsc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C;CNC(=O)[CH](NC(=O)[CH](OCc1ccc(cc1)c2cscc2)[CH](O)[CH](O)[CH](OCc3ccc(cc3)c4cscc4)C(=O)N[CH](C(C)C)C(=O)NC)C(C)C;CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4","InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1","INHIBITOR BEA409","2000-01-31","2021-03-01","(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-thiophen-3-ylbenzyl)oxy]hexanediamide (non-preferred name)",""],["BEF","BERYLLIUM TRIFLUORIDE ION","Be F3","F[Be-](F)F;F[Be-](F)F;[Be-](F)(F)F","InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3","","1999-07-08","2024-09-27","trifluoroberyllate(1-)",""],["UC5","2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE","C10 H16 N2 O10 P2","O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP(=O)(O)O)O)O","InChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","","2006-07-26","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine",""],["BEG","2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE]","C38 H40 N2 O7","O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)CC(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O;O[CH](C[CH](OCc1ccccc1)C(=O)N[CH]2[CH](O)Cc3ccccc23)[CH](OCc4ccccc4)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc(cc1)COC(CC(C(C(=O)NC2c3ccccc3CC2O)OCc4ccccc4)O)C(=O)NC5c6ccccc6CC5O","InChI=1S/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32-,33-,34+,35+,36-/m1/s1","INHIBITOR BEA425","1999-10-05","2021-03-01","(2R,3R,5R)-2,5-bis(benzyloxy)-3-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["UC6","1,5-anhydro-D-ribo-hex-3-ulose","C6 H10 O5","OC1C(CO)OCC(O)C1=O;OC[CH]1OC[CH](O)C(=O)[CH]1O;C1C(C(=O)C(C(O1)CO)O)O","InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-4,6-8,10H,1-2H2","","2023-09-01","2024-06-07","1,5-anhydro-D-ribo-hex-3-ulose","2024-06-12"],["UC7","2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione","C20 H24 N2 O2","O=C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32;CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23;CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC","InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3","","2022-08-16","2022-10-21","2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione","2022-10-26"],["BEH","2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE","C36 H38 N2 O7","O=C(NCc1ccccc1)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3)[CH](O)[CH](O)[CH](OCc4ccccc4)C(=O)NCc5ccccc5;c1ccc(cc1)CNC(=O)C(C(C(C(C(=O)NC2c3ccccc3CC2O)OCc4ccccc4)O)O)OCc5ccccc5","InChI=1S/C36H38N2O7/c39-29-20-27-18-10-11-19-28(27)30(29)38-36(43)34(45-23-26-16-8-3-9-17-26)32(41)31(40)33(44-22-25-14-6-2-7-15-25)35(42)37-21-24-12-4-1-5-13-24/h1-19,29-34,39-41H,20-23H2,(H,37,42)(H,38,43)/t29-,30+,31-,32-,33-,34-/m1/s1","INHIBITOR BEA435","1999-10-05","2020-06-17","(2R,3R,4R,5R)-N-benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)",""],["BEI","N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]","C34 H50 N4 O8","O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC(C(=O)NC)C(C)CC)C(C)CC;CC[CH](C)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O)[CH](O)[CH](OCc2ccccc2)C(=O)N[CH]([CH](C)CC)C(=O)NC)C(=O)NC;CCC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2","InChI=1S/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22-,25-,26-,27+,28+,29+,30+/m0/s1","INHIBITOR BEA322","2000-01-31","2021-03-01","(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2S)-2-methyl-1-(methylcarbamoyl)butyl]hexanediamide (non-preferred name)",""],["UC8","~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide","C35 H36 N6 O3","CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1;CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6","InChI=1S/C35H36N6O3/c1-3-32(42)38-27-13-14-30-31(20-27)41(35(44)39-30)28-15-17-40(18-16-28)22-23-9-11-25(12-10-23)33-29(24-7-5-4-6-8-24)19-26(21-37-33)34(43)36-2/h4-14,19-21,28H,3,15-18,22H2,1-2H3,(H,36,43)(H,38,42)(H,39,44)","","2021-02-10","2021-09-03","~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide","2021-09-08"],["BEJ","N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]","C42 H52 N6 O8","O=C(NC)C(NC(=O)C(OCc2ccc(c1cccnc1)cc2)C(O)C(O)C(OCc4ccc(c3cccnc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C;CNC(=O)[CH](NC(=O)[CH](OCc1ccc(cc1)c2cccnc2)[CH](O)[CH](O)[CH](OCc3ccc(cc3)c4cccnc4)C(=O)N[CH](C(C)C)C(=O)NC)C(C)C;CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4","InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1","INHIBITOR BEA428","2000-01-31","2020-06-17","(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-pyridin-3-ylbenzyl)oxy]hexanediamide (non-preferred name)",""],["UC9","4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid","C24 H22 N4 O4","c4(CC)c(C#CC(c2cc1OCOc1c(c2)c3ccc(cc3)C(=O)O)C)c(nc(n4)N)N;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2)c4ccc(cc4)C(O)=O;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O","InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m1/s1","","2016-04-20","2017-04-14","4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid","2017-04-19"],["BEK","2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE","C8 H5 F4 N O2","Fc1c(F)c(c(F)c(F)c1OC)C(=O)N;COc1c(F)c(F)c(C(N)=O)c(F)c1F;COc1c(c(c(c(c1F)F)C(=O)N)F)F","InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)","","2001-12-13","2011-06-04","2,3,5,6-tetrafluoro-4-methoxybenzamide",""],["UCA","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate","C34 H52 N7 O19 P3 S","O=C1CCC2C1(C)CCC(=O)C2CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC[CH]4[CH]5CCC(=O)[C]5(C)CCC4=O;CC12CCC(=O)C(C1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O","InChI=1S/C34H52N7O19P3S/c1-33(2,28(47)31(48)37-11-9-23(44)36-12-13-64-24(45)7-4-18-19-5-6-22(43)34(19,3)10-8-20(18)42)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)41-17-40-25-29(35)38-16-39-30(25)41/h16-19,21,26-28,32,46-47H,4-15H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t18-,19-,21+,26+,27+,28-,32+,34-/m0/s1","HIP-CoA","2014-08-27","2021-03-01","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]propanethioate (non-preferred name)","2014-11-26"],["BEL","2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE","C14 H14 Br2 N4 O7","O=CC(=O)CNC(=O)c1cc(N(CCBr)CCBr)c(cc1[N+]([O-])=O)[N+]([O-])=O;[O-][N+](=O)c1cc(c(cc1N(CCBr)CCBr)C(=O)NCC(=O)C=O)[N+]([O-])=O;c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O","InChI=1S/C14H14Br2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,8H,1-4,7H2,(H,17,23)","","2003-03-10","2011-06-04","5-[bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide",""],["UCB","1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM","C29 H37 Cl2 N2 O2","Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC[N+](CC)(CC3CCCCCC3)CC4)cc5;CC[N+]1(CC[CH](CC1)NC(=O)[CH]2c3cc(Cl)ccc3Oc4ccc(Cl)cc24)CC5CCCCCC5;CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5","InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1/t23-,33-","UCB35625","2004-12-07","2020-06-17","trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium",""],["UCC","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate","C32 H56 N7 O17 P3 S","O=C(CCCCCCCCCC)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(O)(OCC1OC(C(C1OP(O)(O)=O)O)n2cnc3c2ncnc3N)=O)O;CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27+,31-/m1/s1","undecanoyl coenzyme A","2015-03-06","2021-03-01","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate (non-preferred name)","2015-06-03"],["BEM","beta-D-mannopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1","beta-D-mannuronic acid; D-mannuronic acid; mannuronic acid; (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic\nacid","2007-11-05","2020-07-17","beta-D-mannopyranuronic acid",""],["BEN","BENZAMIDINE","C7 H8 N2","[N@H]=C(N)c1ccccc1;NC(=N)c1ccccc1;[H]N=C(c1ccccc1)N","InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)","","1999-07-08","2011-06-04","benzenecarboximidamide",""],["UCD","(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5\n,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID","C14 H21 N O11","O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O[CH]2OC(=C[CH](O)[CH]2O)C(O)=O;CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)O)O)O","InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1","4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE; UNSATURATED CHONDROITIN DISACCHARIDE","2005-08-04","2020-07-17","2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose",""],["UCE","~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide","C34 H35 N5 O3","CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(CO)cc5c6ccccc6)c2c1;CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6","InChI=1S/C34H35N5O3/c1-2-32(41)36-27-12-13-30-31(19-27)39(34(42)37-30)28-14-16-38(17-15-28)21-23-8-10-26(11-9-23)33-29(18-24(22-40)20-35-33)25-6-4-3-5-7-25/h3-13,18-20,28,40H,2,14-17,21-22H2,1H3,(H,36,41)(H,37,42)","","2021-02-10","2021-09-03","~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide","2021-09-08"],["BEO","BUTENOIC ACID","C4 H6 O2","O=C(O)/C=C/C;CC=CC(O)=O;CC=CC(=O)O","InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+","","1999-07-08","2011-06-04","(2E)-but-2-enoic acid",""],["UCF","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C33 H38 Cl N O8 S","CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccc(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4sc(Cl)cc4;CCC(c1ccc(s1)Cl)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O","InChI=1S/C33H38ClNO8S/c1-4-24(29-15-16-30(34)44-29)32(38)35-17-6-5-10-25(35)33(39)43-26(22-8-7-9-23(19-22)42-20-31(36)37)13-11-21-12-14-27(40-2)28(18-21)41-3/h7-9,12,14-16,18-19,24-26H,4-6,10-11,13,17,20H2,1-3H3,(H,36,37)/t24-,25+,26-/m1/s1","","2023-02-01","2023-04-21","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2023-04-26"],["BEP","1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE","C24 H34 N2 O","O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3;CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CCCC3;CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3","InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1","BEPRIDIL","2000-01-24","2020-06-17","N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline",""],["BEQ","N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT","C19 H38 N2 O3","[O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C;CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O;CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]","InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)","N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE; COCOAMIDOPROPYLBETAINE","2005-01-12","2020-05-26","{[3-(dodecanoylamino)propyl](dimethyl)ammonio}acetate",""],["UCG","3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)","C19 H24 N7 O18 P3","O=P(O)(O)OCC6OC(N1C=CC(=O)NC1=O)C(O)C6OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C5OP(=O)(O)OC45;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(O)=O)N5C=CC(=O)NC5=O)[CH]6O[P](O)(=O)O[CH]36;c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N","InChI=1S/C19H24N7O18P3/c20-18-23-14-9(15(29)24-18)21-5-26(14)17-13-12(43-47(36,37)44-13)7(41-17)4-39-46(34,35)42-11-6(3-38-45(31,32)33)40-16(10(11)28)25-2-1-8(27)22-19(25)30/h1-2,5-7,10-13,16-17,28H,3-4H2,(H,34,35)(H,36,37)(H,22,27,30)(H2,31,32,33)(H3,20,23,24,29)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1","","2014-08-19","2015-01-09","3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)","2015-01-14"],["UCH","1-pyridin-4-ylpiperidine-4-carboxylic acid","C11 H14 N2 O2","OC(=O)C1CCN(CC1)c2ccncc2;c1cnccc1N2CCC(CC2)C(=O)O","InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)","","2023-05-26","2023-12-22","1-pyridin-4-ylpiperidine-4-carboxylic acid","2023-12-27"],["BER","BERBERINE","C20 H18 N O4","O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5;COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC;COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5","InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1","","2001-09-12","2011-06-04","9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium",""],["UCI","(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form)","C21 H23 F3 N2 O4 S","O=S(=O)(CC)N1CC(CC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1;CC[S](=O)(=O)N1C[CH](C[CH](C1)c2ccccc2)C(=O)Nc3ccc(OC(F)(F)F)cc3;CCS(=O)(=O)N1CC(CC(C1)C(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccccc3","InChI=1S/C21H23F3N2O4S/c1-2-31(28,29)26-13-16(15-6-4-3-5-7-15)12-17(14-26)20(27)25-18-8-10-19(11-9-18)30-21(22,23)24/h3-11,16-17H,2,12-14H2,1H3,(H,25,27)/t16-,17-/m1/s1","","2022-08-16","2024-09-27","(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide","2023-05-10"],["BES","2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID","C16 H24 N2 O4","O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C;CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O","InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1","BESTATIN","2000-12-27","2020-06-17","N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine",""],["BET","TRIMETHYL GLYCINE","C5 H12 N O2","O=C(O)C[N+](C)(C)C;C[N+](C)(C)CC(O)=O;C[N+](C)(C)CC(=O)O","InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1","","1999-07-08","2024-09-27","carboxy-N,N,N-trimethylmethanaminium",""],["UCJ","propan-2-yl hydrogen (S)-methylphosphonate","C4 H11 O3 P","O=P(OC(C)C)(O)C;CC(C)O[P](C)(O)=O;CC(C)OP(=O)(C)O","InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)","","2020-05-07","2024-09-27","propan-2-yl hydrogen (S)-methylphosphonate","2021-02-17"],["UCK","(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C19 H18 Cl2 N2 O3","O=C(c1ccccc1Cl)N3C(C(=O)NCc2ccc(Cl)cc2)CC(O)C3;O[CH]1C[CH](N(C1)C(=O)c2ccccc2Cl)C(=O)NCc3ccc(Cl)cc3;c1ccc(c(c1)C(=O)N2CC(CC2C(=O)NCc3ccc(cc3)Cl)O)Cl","InChI=1S/C19H18Cl2N2O3/c20-13-7-5-12(6-8-13)10-22-18(25)17-9-14(24)11-23(17)19(26)15-3-1-2-4-16(15)21/h1-8,14,17,24H,9-11H2,(H,22,25)/t14-,17+/m1/s1","","2012-08-31","2014-09-05","(4R)-1-(2-chlorobenzoyl)-N-(4-chlorobenzyl)-4-hydroxy-L-prolinamide","2012-10-19"],["BEU","N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE","C9 H16 N2 O4","O=C(NC1C(C=C(C(O)C1O)CO)N)C;CC(=O)N[CH]1[CH](N)C=C(CO)[CH](O)[CH]1O;CC(=O)NC1C(C=C(C(C1O)O)CO)N","InChI=1S/C9H16N2O4/c1-4(13)11-7-6(10)2-5(3-12)8(14)9(7)15/h2,6-9,12,14-15H,3,10H2,1H3,(H,11,13)/t6-,7+,8-,9-/m1/s1","2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE","2007-07-03","2021-03-01","N-[(1S,2R,5R,6R)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide",""],["BEV","N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide","C3 H7 N3 O2 S2","O=S(=O)(/N=C1SCCN1)N;N[S](=O)(=O)N=C1NCCS1;C1CSC(=NS(=O)(=O)N)N1","InChI=1S/C3H7N3O2S2/c4-10(7,8)6-3-5-1-2-9-3/h1-2H2,(H,5,6)(H2,4,7,8)","","2010-03-11","2011-06-04","N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfuric diamide",""],["UCL","5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)","C9 H12 Cl N2 O8 P","ClC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(Cl)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O","InChI=1S/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","2006-09-07","2011-06-04","5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["UCM","REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE","C24 H15 N3 O3","O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(=O)N5)c7ccccc67)CC8;O=C1NC(=O)c2c1c3c4ccccc4n5[CH]6CC[CH](O6)n7c8ccccc8c2c7c35;c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2C8CCC7O8)C(=O)NC4=O","InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+","SB218078","2003-02-13","2021-03-01","(5R,8S)-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-13,15(14H)-dione",""],["BEW","1-hydroxy-2-sulfanylpyridinium","C5 H6 N O S","O[n+]1ccccc1S;O[n+]1ccccc1S;c1cc[n+](c(c1)S)O","InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H/p+1","","2010-03-11","2011-06-04","1-hydroxy-2-sulfanylpyridinium",""],["UCN","7-HYDROXYSTAUROSPORINE","C28 H26 N4 O4","O=C5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6[CH](O)NC(=O)c6c7c8ccccc8n2c7c35;CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8O)NC)OC","InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1","","2003-02-11","2011-06-04","(5S,6R,7R,9R,16R)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one",""],["BEX","N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide","C15 H19 N3 O5 S","O=S(=O)(N)NC(Oc1ccccc1)Nc2cc(OC)c(OC)cc2;COc1ccc(N[CH](N[S](N)(=O)=O)Oc2ccccc2)cc1OC;COc1ccc(cc1OC)NC(NS(=O)(=O)N)Oc2ccccc2","InChI=1S/C15H19N3O5S/c1-21-13-9-8-11(10-14(13)22-2)17-15(18-24(16,19)20)23-12-6-4-3-5-7-12/h3-10,15,17-18H,1-2H3,(H2,16,19,20)/t15-/m1/s1","","2010-03-11","2011-06-04","N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfuric diamide",""],["UCO","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C40 H44 Cl N O11 S","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](c3sc(Cl)cc3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC;COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(c4ccc(s4)Cl)c5cc(c(c(c5)OC)OC)OC","InChI=1S/C40H44ClNO11S/c1-47-30-15-13-24(19-31(30)48-2)12-14-29(25-9-8-10-27(20-25)52-23-36(43)44)53-40(46)28-11-6-7-18-42(28)39(45)37(34-16-17-35(41)54-34)26-21-32(49-3)38(51-5)33(22-26)50-4/h8-10,13,15-17,19-22,28-29,37H,6-7,11-12,14,18,23H2,1-5H3,(H,43,44)/t28-,29+,37+/m0/s1","","2023-02-01","2023-04-21","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2023-04-26"],["BEY","(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid","C19 H24 N O4 P","O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2;N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccccc2)C(=O)O)O","InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1","","2008-09-16","2011-06-04","(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid",""],["BEZ","BENZOIC ACID","C7 H6 O2","O=C(O)c1ccccc1;OC(=O)c1ccccc1;c1ccc(cc1)C(=O)O","InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)","","1999-07-08","2024-09-27","benzoic acid",""],["UCP","PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER","C10 H17 N2 O13 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O","InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]uridine",""],["BF0","methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate","C25 H32 N2 O6","O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6;COC(=O)CCC(=O)N[CH]1CC[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3CC6CC6)c45;COC(=O)CCC(=O)NC1CCC2(C3Cc4ccc(c5c4C2(C1O5)CCN3CC6CC6)O)O","InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1","beta-funaltrexamine, bound form","2012-02-07","2024-09-27","methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate",""],["UCQ","(2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid","C9 H15 N3 O2","CN(C)[CH](Cc1cncn1C)C(O)=O;Cn1cncc1CC(C(=O)O)N(C)C","InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1","","2023-09-04","2024-09-06","(2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid","2024-09-11"],["BF2","BERYLLIUM DIFLUORIDE","Be F2","F[Be]F;F[Be]F;[Be](F)F","InChI=1S/Be.2FH/h;2*1H/q+2;;/p-2","","1999-07-08","2011-06-04","beryllium difluoride",""],["UCR","N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide","C74 H90 F N13 O16","O=C1NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=C1)Cc1cn(nn1)CCCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc1;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1Cc4cn(CCC[CH]5NC(=O)[CH](NC(=O)c6ncccc6O)[CH](C)OC(=O)[CH](NC(=O)[CH]7C[CH](O)CCN7C(=O)[CH](Cc8ccccc8)N(C)C(=O)[CH]9CCCN9C5=O)c%10ccccc%10)nn4)n3;CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCCn6cc(nn6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co8)C(=O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O)c1c(cccn1)O","InChI=1S/C74H90FN13O16/c1-43(2)65-48(26-27-60(92)76-29-12-17-44(3)35-52(90)38-49(75)39-61-78-54(42-102-61)70(97)87-33-16-24-56(87)73(100)104-65)37-50-41-85(83-82-50)31-14-22-53-69(96)86-32-15-23-55(86)71(98)84(5)58(36-46-18-8-6-9-19-46)72(99)88-34-28-51(89)40-57(88)66(93)81-63(47-20-10-7-11-21-47)74(101)103-45(4)62(67(94)79-53)80-68(95)64-59(91)25-13-30-77-64/h6-13,17-21,25-27,30,35,41-43,45,48-49,51-53,55-58,62-63,65,89-91H,14-16,22-24,28-29,31-34,36-40H2,1-5H3,(H,76,92)(H,79,94)(H,80,95)(H,81,93)/b17-12+,27-26+,44-35+/t45-,48+,49-,51-,52-,53-,55+,56-,57+,58+,62+,63+,65-/m1/s1","","2022-08-17","2023-06-23","N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide","2023-06-28"],["BF3","2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione","C15 H9 Cl F N O4","Clc1cccc(c1F)CN3C(=O)c2ccc(O)c(O)c2C3=O;Oc1ccc2C(=O)N(Cc3cccc(Cl)c3F)C(=O)c2c1O;c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O","InChI=1S/C15H9ClFNO4/c16-9-3-1-2-7(12(9)17)6-18-14(21)8-4-5-10(19)13(20)11(8)15(18)22/h1-5,19-20H,6H2","","2012-10-08","2012-10-26","2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione","2012-10-26"],["UCS","N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-L-leucinamide","C22 H33 N3 O7 S","c1ccccc1COC(NC(C(=O)NC(C(O)S(=O)(O)=C)CC2CCNC2=O)CC(C)C)=O;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=C)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=C)(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C22H33N3O7S/c1-14(2)11-17(25-22(29)32-13-15-7-5-4-6-8-15)20(27)24-18(21(28)33(3,30)31)12-16-9-10-23-19(16)26/h4-8,14,16-18,21,28H,3,9-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31)/t16-,17-,18-,21+/m0/s1","","2020-05-07","2020-11-17","N~2~-[(benzyloxy)carbonyl]-N-{(1R,2S)-1-hydroxy-1-[hydroxy(methylidene)oxo-lambda~6~-sulfanyl]-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-05-20"],["BF4","BERYLLIUM TETRAFLUORIDE ION","Be F4","F[Be-2](F)(F)F;F[Be--](F)(F)F;[Be-2](F)(F)(F)F","InChI=1S/Be.4FH/h;4*1H/q+2;;;;/p-4","","2002-03-20","2011-06-04","tetrafluoroberyllate(2-)",""],["UCT","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","C32 H36 Cl N O8 S","COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1OC;CC(c1ccc(s1)Cl)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O","InChI=1S/C32H36ClNO8S/c1-20(28-14-15-29(33)43-28)31(37)34-16-5-4-9-24(34)32(38)42-25(22-7-6-8-23(18-22)41-19-30(35)36)12-10-21-11-13-26(39-2)27(17-21)40-3/h6-8,11,13-15,17-18,20,24-25H,4-5,9-10,12,16,19H2,1-3H3,(H,35,36)/t20-,24+,25-/m1/s1","","2023-02-01","2023-04-21","2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid","2023-04-26"],["UCU","(2R)-2-oxidanylbutanoic acid","C4 H8 O3","CC[CH](O)C(O)=O;CCC(C(=O)O)O","InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1","(R)-2-Hydroxybutanoic acid","2023-05-26","2023-10-13","(2~{R})-2-oxidanylbutanoic acid","2023-10-18"],["BF5","(3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE","C17 H19 F N4 O4","[O-]C(=O)C=1C(O)=C4C=2N(C=1)C(COC=2C(N3CCN(N)CC3)=C(F)C4)C;C[CH]1COC2=C3N1C=C(C([O-])=O)C(=C3CC(=C2N4CCN(N)CC4)F)O;CC1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-]","InChI=1S/C17H21FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h7,9,23H,2-6,8,19H2,1H3,(H,24,25)/p-1/t9-/m0/s1","","2010-06-08","2011-06-04","(3S)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate",""],["UCV","1-[(2~{S})-2-azanyl-3-methyl-butyl]urea","C6 H15 N3 O","CC(C)[CH](N)CNC(N)=O;CC(C)C(CNC(=O)N)N","InChI=1S/C6H15N3O/c1-4(2)5(7)3-9-6(8)10/h4-5H,3,7H2,1-2H3,(H3,8,9,10)/t5-/m1/s1","","2018-08-22","2024-09-27","1-[(2~{S})-2-azanyl-3-methyl-butyl]urea","2020-07-08"],["BF6","[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C20 H17 N3 O4","C(=C1N=C(CN)N(CC(O)=O)C1=O)c3ccc(C(c2ccccc2)=O)cc3;NCC1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N1CC(O)=O;c1ccc(cc1)C(=O)c2ccc(cc2)C=C3C(=O)N(C(=N3)CN)CC(=O)O","InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10-","PEPTIDE DERIVED CHROMOPHORE","2018-12-20","2024-09-27","[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","2019-01-30"],["BF7","4-bromo-D-phenylalanine","C9 H10 Br N O2","NC(Cc1ccc(cc1)Br)C(=O)O;N[CH](Cc1ccc(Br)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)Br","InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1","","2019-07-18","2024-09-27","4-bromo-D-phenylalanine","2020-07-01"],["UCW","tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate","C26 H38 N8 O3","COc1cc(ccc1NC(=O)OC(C)(C)C)c2nn(CCN3CCC(CC3)N(C)C)c4ncnc(N)c24;CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N","InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)","~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate","2021-02-10","2021-09-10","~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate","2021-09-15"],["BF8","FE(4)-NI(1)-S(5) CLUSTER with Oxygen","Fe4 Ni O S4","O1[Fe]S[Fe]S[Fe]S[Fe]S[Ni]1;O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51","InChI=1S/4Fe.Ni.O.4S","","2017-09-29","2017-12-29","","2018-01-03"],["UCX","(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione","C30 H38 F N3 O6","CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC#C;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC#C)n3;CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC#C)C(C)C)F)O","InChI=1S/C30H38FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h1,6,9,11-12,15,18-19,21-23,25,28,35H,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1","","2022-08-17","2023-06-23","(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione","2023-06-28"],["BF9","[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C22 H21 N3 O5","c1ccccc1C(c3ccc(C=C2C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O;C[CH](O)[CH](N)C1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N1CC(=O)O)N)O","InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1","PEPTIDE DERIVED CHROMOPHORE","2018-12-19","2024-09-27","[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","2019-01-30"],["UCY","(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate","C8 H17 O2 P","CP(=O)OC1C(C)(CCC1)C;C[PH](=O)O[CH]1CCCC1(C)C;CC1(CCCC1OP(=O)C)C","InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1","2,2-dimethylcyclopentyl methylphosphinate","2020-05-07","2024-09-27","(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate","2021-02-17"],["BFA","9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE","C17 H17 Br N4 O","O=C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br;CN(C)CCNC(=O)c1cccc2nc3cccc(Br)c3nc12;CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br","InChI=1S/C17H17BrN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)","","2000-02-22","2011-06-04","9-bromo-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide",""],["UCZ","(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol","C15 H18 Cl N3 O","CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc(cc2)Cl)O;CC(C)(C)[CH](O)C(=Cc1ccc(Cl)cc1)n2cncn2;CC(C)(C)C(C(=Cc1ccc(cc1)Cl)n2cncn2)O","InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1","","2018-06-13","2019-06-07","(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol","2019-06-12"],["UD0","(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid","C25 H34 N5 O22 P3","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O;CC(=O)N[CH]1[CH](O[CH]([CH](O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)C(=O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O","InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15+,16+,18-,19-,20-,21-,22+,24+/m0/s1","","2010-07-13","2011-06-04","(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid",""],["BFB","N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE","C14 H20 N4 O2","O=C(NC(C(=O)N)CCCNC(=[N@H])C)c1ccccc1;CC(=N)NCCC[CH](NC(=O)c1ccccc1)C(N)=O;[H]N=C(C)NCCCC(C(=O)N)NC(=O)c1ccccc1","InChI=1S/C14H20N4O2/c1-10(15)17-9-5-8-12(13(16)19)18-14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H2,15,17)(H2,16,19)(H,18,20)/t12-/m0/s1","(S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE","2006-08-09","2024-09-27","N-{(1S)-1-carbamoyl-4-[(1Z)-ethanimidoylamino]butyl}benzamide",""],["BFC","(R)-3-HYDROXYTETRADECANAL","C14 H28 O2","O=CCC(O)CCCCCCCCCCC;CCCCCCCCCCC[CH](O)CC=O;CCCCCCCCCCCC(CC=O)O","InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13-14,16H,2-12H2,1H3/t14-/m1/s1","","2006-11-02","2011-06-04","(3R)-3-hydroxytetradecanal",""],["UD1","URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE","C17 H27 N3 O17 P2","O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1","","1999-07-08","2011-06-04","(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["BFD","ASPARTATE BERYLLIUM TRIFLUORIDE","C4 H6 Be F3 N O4","O=C(O[Be-2](F)(F)F)CC(N)C(=O)O;N[CH](CC(=O)O[Be--](F)(F)F)C(O)=O;[Be-2](OC(=O)CC(C(=O)O)N)(F)(F)F","InChI=1S/C4H7NO4.Be.3FH/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;3*1H/q;+2;;;/p-4/t2-;;;;/m0..../s1","","2000-09-26","2024-09-27","(L-aspartato-kappaO~4~)(trifluoro)beryllate(2-)",""],["UD2","URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE","C17 H27 N3 O17 P2","O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1","(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl\n[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen\ndiphosphate","2001-02-21","2020-06-17","(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["UD4","UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose","C17 H28 N4 O15 P2","O=P(OC1OC(C(N)C(O)C1NC(=O)C)C)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1N;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N","InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8-,10-,11-,12-,13+,14-,15-,16-/m1/s1","(2R,3R,4S,5S,6R)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl","2008-05-21","2021-03-13","(2R,3R,4S,5S,6R)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["BFE","N-(2-sulfanylethyl)benzamide","C9 H11 N O S","O=C(NCCS)c1ccccc1;SCCNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCCS","InChI=1S/C9H11NOS/c11-9(10-6-7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)","","2010-03-11","2024-09-27","N-(2-sulfanylethyl)benzamide",""],["BFF","3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide","C20 H24 Br F2 N5 O3 S","NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc3c(F)cc(Br)cc3F;c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br","InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)","3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide","2010-01-16","2021-03-13","3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide",""],["UD5","5-FLUOROURIDINE","C9 H12 F N2 O8 P","FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(O)O;O[CH]1[CH](O)[CH](O[CH]1COP(O)O)N2C=C(F)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(O)O)O)O)F","InChI=1S/C9H12FN2O8P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(20-8)2-19-21(17)18/h1,4-6,8,13-14,17-18H,2H2,(H,11,15,16)/t4-,5-,6-,8-/m1/s1","","2005-06-01","2011-06-04","5'-O-(dihydroxyphosphanyl)-5-fluorouridine",""],["BFG","3,3-diphenyl-N-(2-sulfanylethyl)propanamide","C17 H19 N O S","O=C(NCCS)CC(c1ccccc1)c2ccccc2;SCCNC(=O)CC(c1ccccc1)c2ccccc2;c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2","InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19)","","2010-03-15","2024-09-27","3,3-diphenyl-N-(2-sulfanylethyl)propanamide",""],["UD6","[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]\n[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate","C18 H28 N2 O17 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O;CC(=O)C[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)CC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10-,12-,13+,14-,15-,16-,17-/m1/s1","UDP-2-ketoGlc","2011-05-11","2020-06-17","(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["BFH","1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid","C15 H11 N O4","O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O;OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O;c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O","InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)","","2010-05-26","2011-06-04","1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid",""],["UD7","[(2R,3R,4R,6R)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C17 H25 N3 O16 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3NC(=O)C)C)O)O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)C1=O;CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O","InChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10,12-16,24-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8-,10-,12-,13-,14-,15-,16-/m1/s1","","2012-08-02","2013-08-23","(2R,3R,4R,6R)-3-(acetylamino)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2013-08-28"],["BFI","2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE","C19 H11 Br F2 N2 O4","Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O;Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C]4(CC(=O)NC4=O)c2c1;c1cc2c(cc1F)C3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br","InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1","MINALRESTAT","2003-07-07","2020-06-17","(4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone",""],["UD8","N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide","C24 H36 N6 O6 S","CC1(C)O[CH]2CN(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)=O)nn3)C[CH](O)[CH]2O1;CC1(OC2CN(CC(C2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C","InChI=1S/C24H36N6O6S/c1-24(2)35-21-16-29(15-20(31)22(21)36-24)11-5-3-4-6-12-30-14-18(27-28-30)13-26-23(32)17-7-9-19(10-8-17)37(25,33)34/h7-10,14,20-22,31H,3-6,11-13,15-16H2,1-2H3,(H,26,32)(H2,25,33,34)/t20-,21+,22+/m1/s1","~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide","2021-02-10","2022-02-18","~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide","2022-02-23"],["UD9","(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C17 H27 N3 O17 P2","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1","UDP-N-acetyl-alpha-D-mannosamine","2021-06-03","2021-12-24","(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2021-12-29"],["BFK","[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol","C24 H30 N6 O3 S","CN1CCN(CC1)c2cc(Nc3ncc(C)c(Nc4cccc(CO)c4)n3)cc(c2)[S](C)(=O)=O;Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C","InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)","","2017-09-29","2018-10-05","[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol","2018-10-10"],["BFL","2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID","C15 H14 O2","O=C(O)C(c2ccc(c1ccccc1)cc2)C;C[CH](C(O)=O)c1ccc(cc1)c2ccccc2;CC(c1ccc(cc1)c2ccccc2)C(=O)O","InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1","","2003-08-18","2011-06-04","(2S)-2-biphenyl-4-ylpropanoic acid",""],["UDA","3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE","C20 H32 N3 O23 P3","O=P(OC1OC(C(O)C(OC(OP(=O)(O)O)(C(=O)O)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O[CH](CO)[CH](O)[CH]1O[C](C)(O[P](O)(O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(C)(C(=O)O)OP(=O)(O)O","InChI=1S/C20H32N3O23P3/c1-7(25)21-11-15(43-20(2,18(30)31)45-47(33,34)35)13(28)8(5-24)42-17(11)44-49(38,39)46-48(36,37)40-6-9-12(27)14(29)16(41-9)23-4-3-10(26)22-19(23)32/h3-4,8-9,11-17,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,36,37)(H,38,39)(H,22,26,32)(H2,33,34,35)/t8-,9-,11-,12-,13-,14-,15-,16-,17-,20+/m1/s1","","2003-08-14","2011-06-04","(2S)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-2-(phosphonooxy)propanoic acid (non-preferred name)",""],["UDB","(S)-N-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-N-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide","C21 H30 F2 N4 O4","Fc1cc(cc(F)c1)NC(=O)NC(C(=O)N(CC(=O)NO)CC2CCCC2)C(C)(C)C;CC(C)(C)[CH](NC(=O)Nc1cc(F)cc(F)c1)C(=O)N(CC2CCCC2)CC(=O)NO;CC(C)(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F","InChI=1S/C21H30F2N4O4/c1-21(2,3)18(25-20(30)24-16-9-14(22)8-15(23)10-16)19(29)27(12-17(28)26-31)11-13-6-4-5-7-13/h8-10,13,18,31H,4-7,11-12H2,1-3H3,(H,26,28)(H2,24,25,30)/t18-/m1/s1","","2011-10-19","2012-06-22","N-[(3,5-difluorophenyl)carbamoyl]-3-methyl-L-valyl-N~2~-(cyclopentylmethyl)-N-hydroxyglycinamide",""],["BFM","3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid","C4 H2 F6 O3","FC(F)(F)C(O)(C(=O)O)C(F)(F)F;OC(=O)C(O)(C(F)(F)F)C(F)(F)F;C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O","InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)","","2012-06-23","2013-06-21","3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid","2013-06-26"],["UDC","2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose","C13 H23 N O10","O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)(C)C(O)CO;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O[C](C)([CH](O)CO)C(O)=O;CC(=O)NC1C(C(C(OC1O)CO)O)OC(C)(C(CO)O)C(=O)O","InChI=1S/C13H23NO10/c1-5(17)14-8-10(9(19)6(3-15)23-11(8)20)24-13(2,12(21)22)7(18)4-16/h6-11,15-16,18-20H,3-4H2,1-2H3,(H,14,17)(H,21,22)/t6-,7+,8-,9-,10-,11+,13+/m1/s1","2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose;\nN-acetyl-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-alpha-D-glucosamine;\n2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucose;\n2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-D-glucose;\n2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-glucose","2007-05-31","2020-07-17","2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose",""],["BFN","5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid","C18 H23 F N2 O9","O=C(c1ccccc1)NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=O)C;CC(=O)N[CH]1[CH](O)[CH](F)[C](O)(O[CH]1[CH](O)[CH](O)CNC(=O)c2ccccc2)C(O)=O;CC(=O)NC1C(C(C(OC1C(C(CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O","InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1","5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;\n5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;\n5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;\n5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid","2007-11-07","2024-09-27","5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid",""],["BFO","benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate","C35 H43 N3 O8","O=CC(C(C)CC)C(O)C(=O)NCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc3cc2ccccc2cc3)C;CC[CH](C)[CH](C=O)[CH](O)C(=O)NCCC[CH](NC(=O)[CH](C)NC(=O)OCc1ccc2ccccc2c1)C(=O)OCc3ccccc3;CCC(C)C(C=O)C(C(=O)NCCCC(C(=O)OCc1ccccc1)NC(=O)C(C)NC(=O)OCc2ccc3ccccc3c2)O","InChI=1S/C35H43N3O8/c1-4-23(2)29(20-39)31(40)33(42)36-18-10-15-30(34(43)45-21-25-11-6-5-7-12-25)38-32(41)24(3)37-35(44)46-22-26-16-17-27-13-8-9-14-28(27)19-26/h5-9,11-14,16-17,19-20,23-24,29-31,40H,4,10,15,18,21-22H2,1-3H3,(H,36,42)(H,37,44)(H,38,41)/t23-,24-,29-,30-,31+/m0/s1","","2011-08-24","2024-09-27","benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate",""],["UDD","N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine","C23 H20 F6 N4","FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc(cc3)C(F)(F)F)CC4;FC(F)(F)c1ccc(cc1)N(C2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4;c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F","InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2","","2012-12-14","2014-09-05","N-[4-(trifluoromethyl)phenyl]-N-{1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}pyridin-3-amine","2013-09-25"],["UDE","3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide","C20 H24 N8 O7 S","CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N","InChI=1S/C20H24N8O7S/c1-11-8-27(20(32)24-18(11)30)17-6-15(16(10-29)35-17)28-9-13(25-26-28)7-22-19(31)23-12-3-2-4-14(5-12)36(21,33)34/h2-5,8-9,15-17,29H,6-7,10H2,1H3,(H2,21,33,34)(H2,22,23,31)(H,24,30,32)/t15-,16+,17+/m0/s1","1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea","2021-02-10","2022-02-18","1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea","2022-02-23"],["BFP","BETA FRUCTOSE 1,6-DIPHOSPHATE","C6 H14 O12 P2","O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O;O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O","InChI=1/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1/f/h10-11,13-14H","","1999-07-08","2008-10-14","1,6-di-O-phosphono-beta-D-fructofuranose",""],["BFQ","IBANDRONATE","C9 H23 N O7 P2","O=P(O)(O)C(O)(CCN(CCCCC)C)P(=O)(O)O;CCCCCN(C)CCC(O)([P](O)(O)=O)[P](O)(O)=O;CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)","[1-HYDROXY-3-(METHYL-PENTYL-AMINO)-1-PHOSPHONO-PROPYL]-PHOSPHONIC ACID","2006-01-11","2021-03-01","{1-hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid)",""],["UDF","~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide","C43 H51 N10 O10","C[CH]1OC(=O)[CH](NC(=O)[CH]2C[CH](O)CCN2C(=O)[CH](Cc3ccccc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH](CCN=[N]=N)NC(=O)[CH]1NC(=O)c5ncccc5O)c6ccccc6;CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCN=[N]=N)NC(=O)c6c(cccn6)O","InChI=1S/C43H51N10O10/c1-25-34(48-39(58)36-33(55)16-9-19-45-36)38(57)47-29(17-20-46-50-44)40(59)52-21-10-15-30(52)41(60)51(2)32(23-26-11-5-3-6-12-26)42(61)53-22-18-28(54)24-31(53)37(56)49-35(43(62)63-25)27-13-7-4-8-14-27/h3-9,11-14,16,19,25,28-32,34-35,44,54-55H,10,15,17-18,20-24H2,1-2H3,(H,47,57)(H,48,58)(H,49,56)/t25-,28-,29-,30+,31+,32+,34+,35+/m1/s1","","2022-08-17","2023-06-23","~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide","2023-06-28"],["BFR","N-butyl-N'-(diaminomethylidene)guanidine","C6 H15 N5","C(C)CCNC(=N)N=C(/N)N;CCCCNC(=N)N=C(N)N;CCCCNC(=N)N=C(N)N","InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)","Buformin","2017-01-19","2020-06-17","N-butyl-N'-(diaminomethylidene)guanidine","2018-01-31"],["UDG","(2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate","C43 H77 N3 O20 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C3NC(=O)CC(O)CCCCCCCCCCC)CO)O)O;CCCCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO)[CH](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O","InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29-,30-,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1","","2012-08-08","2012-09-28","(2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name)","2012-09-28"],["UDH","6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE","C15 H27 N3 O12 P2","O=P(O)(OCCCCCCN)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCCCCCN)O)O","InChI=1S/C15H27N3O12P2/c16-6-3-1-2-4-8-27-31(23,24)30-32(25,26)28-9-10-12(20)13(21)14(29-10)18-7-5-11(19)17-15(18)22/h5,7,10,12-14,20-21H,1-4,6,8-9,16H2,(H,23,24)(H,25,26)(H,17,19,22)/t10-,12-,13-,14-/m1/s1","","2004-07-07","2012-01-05","5'-O-[(R)-{[(S)-[(6-aminohexyl)oxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]uridine",""],["BFS","N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE","C15 H13 Br F N O2","Brc1ccc(cc1)C(NC(=O)c2cc(F)ccc2O)C;C[CH](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2;CC(c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F","InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1","","1999-07-08","2011-06-04","N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide",""],["BFT","S-BENZOYLTHIAMINE O-MONOPHOSPHATE","C19 H25 N4 O6 P S","O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C;C[CH]([CH](CCO[P](O)(O)=O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O;Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2","InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1","BENFOTIAMINE","2006-07-20","2020-06-17","2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol",""],["UDI","butane-1,4-dithiol","C4 H10 S2","SCCCCS;C(CCS)CS","InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2","1,2-dithiane 1-oxide (reacted)","2023-02-01","2024-09-27","butane-1,4-dithiol","2023-12-13"],["BFU","1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA","C18 H17 Br F N3 O3","O=C(Nc1ncc(Br)cc1)NC3CC3c2c(F)ccc(C(=O)CC)c2O;CCC(=O)c1ccc(F)c([CH]2C[CH]2NC(=O)Nc3ccc(Br)cn3)c1O;CCC(=O)c1ccc(c(c1O)C2CC2NC(=O)Nc3ccc(cn3)Br)F","InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1","MSC204","2000-02-10","2021-03-01","1-(5-bromopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea",""],["UDJ","(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one","C24 H31 N O","c1ccncc1C=4C3(CCC5C2(CCC(=O)CC2CCC5C3CC=4)C)C;C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5;CC12CCC(=O)CC1CCC3C2CCC4(C3CC=C4c5cccnc5)C","InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1","","2020-05-08","2021-05-21","(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one","2021-05-26"],["UDK","(R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide","C25 H36 N6 O2","CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2;CC1CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NC)O","InChI=1S/C25H36N6O2/c1-19-8-12-30(13-9-19)15-20-4-6-21(7-5-20)24(32)27-16-25(33)10-3-11-31(17-25)23-14-22(26-2)28-18-29-23/h4-7,14,18-19,33H,3,8-13,15-17H2,1-2H3,(H,27,32)(H,26,28,29)/t25-/m1/s1","~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide","2021-02-10","2021-10-15","~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide","2021-10-20"],["BFV","N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine","C36 H40 Cl N5 O3 S","C1COCCN1CCCn5c6c(c(c4ccc(Cl)c(C#Cc2cccc(c2)CNCc3ccccc3)c4)n5)CN(CC6)S(C)(=O)=O;C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)c4ccc(Cl)c(c4)C#Cc5cccc(CNCc6ccccc6)c5;CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1","InChI=1S/C36H40ClN5O3S/c1-46(43,44)41-18-15-35-33(27-41)36(39-42(35)17-6-16-40-19-21-45-22-20-40)32-13-14-34(37)31(24-32)12-11-28-9-5-10-30(23-28)26-38-25-29-7-3-2-4-8-29/h2-5,7-10,13-14,23-24,38H,6,15-22,25-27H2,1H3","","2017-08-08","2017-12-15","N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine","2017-12-20"],["UDL","(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid","C8 H15 N O4","CC(C)[CH](O)[CH](NC(C)=O)C(O)=O;CC(C)C(C(C(=O)O)NC(=O)C)O","InChI=1S/C8H15NO4/c1-4(2)7(11)6(8(12)13)9-5(3)10/h4,6-7,11H,1-3H3,(H,9,10)(H,12,13)/t6-,7+/m0/s1","","2023-09-04","2025-03-14","(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid","2025-03-19"],["BFW","4-N-Furfurylcytosine","C9 H9 N3 O2","O=C1NC(=CC=N1)NCc2occc2;c1cc(oc1)CNC2=CC=NC(=O)N2","InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)","","2017-10-01","2018-04-27","6-(furan-2-ylmethylamino)-1~{H}-pyrimidin-2-one","2018-05-02"],["BFX","4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide","C31 H31 Br Cl F N2 O2","Clc1ccccc1CN(C(=O)C4=C(c2ccc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5;Fc1ccc(Br)c(OCCCc2ccc(cc2)C3=C(CNCC3)C(=O)N(Cc4ccccc4Cl)C5CC5)c1;c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl","InChI=1S/C31H31BrClFN2O2/c32-28-14-11-24(34)18-30(28)38-17-3-4-21-7-9-22(10-8-21)26-15-16-35-19-27(26)31(37)36(25-12-13-25)20-23-5-1-2-6-29(23)33/h1-2,5-11,14,18,25,35H,3-4,12-13,15-17,19-20H2","","2009-10-08","2011-06-04","4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide",""],["UDM","URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE","C18 H29 N3 O16 P2","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1","((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC\n(((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC)\nANHYDRIDE","2005-09-21","2020-06-17","[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",""],["BFZ","7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE","C21 H23 Br F N3 O","Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br)cc1)CCN(CC)CC;CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Br)ccc13;CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br","InChI=1S/C21H23BrFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3","BROMOFLURAZEPAM","2011-11-24","2020-06-17","7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one","2012-10-12"],["UDN","Uridine-Diphosphate-Methylene-N-acetyl-galactosamine","C18 H29 N3 O16 P2","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9+,10-,12+,13+,14-,15-,16-,17-/m1/s1","","2017-10-15","2018-02-02","[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-phosphinic acid","2018-02-07"],["BG0","(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile","C18 H17 Br N4 O3","COc3cc(C1C(=C(N)Oc2c(N)c(N)ccc12)C#N)cc(c3OC)Br;COc1cc(cc(Br)c1OC)[CH]2c3ccc(N)c(N)c3OC(=C2C#N)N;COc1cc(cc(c1OC)Br)C2c3ccc(c(c3OC(=C2C#N)N)N)N","InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1","","2019-01-31","2019-03-08","(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile","2019-03-13"],["UDO","(S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone","C24 H21 Cl F3 N3 O","O=C(N2CCN(c1ccc(cc1)C(F)(F)F)CC2)C(c3ccc(Cl)cc3)c4cccnc4;FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[CH](c3ccc(Cl)cc3)c4cccnc4;c1cc(cnc1)C(c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F","InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1","","2012-12-14","2014-09-05","(2S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone","2013-09-25"],["UDP","URIDINE-5'-DIPHOSPHATE","C9 H14 N2 O12 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2024-09-27","uridine 5'-(trihydrogen diphosphate)",""],["BG1","O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-L-serine","C10 H21 N3 O6 S","O=S(=O)(NC)N(C(C(=O)OCC(C(=O)O)N)CCC)C;CCC[CH](N(C)[S](=O)(=O)NC)C(=O)OC[CH](N)C(O)=O;CCCC(C(=O)OCC(C(=O)O)N)N(C)S(=O)(=O)NC","InChI=1S/C10H21N3O6S/c1-4-5-8(13(3)20(17,18)12-2)10(16)19-6-7(11)9(14)15/h7-8,12H,4-6,11H2,1-3H3,(H,14,15)/t7-,8-/m0/s1","","2007-11-08","2024-09-27","O-{(2S)-2-[methyl(methylsulfamoyl)amino]pentanoyl}-L-serine",""],["BG2","8-bromoguanosine","C10 H12 Br N5 O5","O=C1c2nc(Br)n(c2N=C(N)N1)C3OC(C(O)C3O)CO;NC1=Nc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(Br)nc2C(=O)N1;C(C1C(C(C(O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O","InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1","","2012-01-20","2012-09-21","8-bromoguanosine","2012-09-21"],["UDQ","N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide","C24 H34 N6 O2","CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2;CNc1cc(ncn1)N2CCCC(C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O","InChI=1S/C24H34N6O2/c1-25-21-14-22(28-18-27-21)30-13-5-10-24(32,17-30)16-26-23(31)20-8-6-19(7-9-20)15-29-11-3-2-4-12-29/h6-9,14,18,32H,2-5,10-13,15-17H2,1H3,(H,26,31)(H,25,27,28)/t24-/m1/s1","~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide","2021-02-10","2021-10-15","~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide","2021-10-20"],["BG3","3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID","C6 H11 N O5 S","O=S(=O)(O)C1NC(C(=O)O)C(C)C1;C[CH]1C[CH](N[CH]1C(O)=O)[S](O)(=O)=O;CC1CC(NC1C(=O)O)S(=O)(=O)O","InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1","","2004-07-14","2024-09-27","(3R,5S)-3-methyl-5-sulfo-D-proline",""],["UDR","(E)-S-Methyl\n5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy\nlbenzothioate","C27 H29 N3 O5 S","O=C(SC)c1c(OC)c(cc(c1)C(c3cc2c(OC(=O)N2C)c(c3)C)=C/CCCc4nnc(o4)C)C;COc1c(C)cc(cc1C(=O)SC)C(=CCCCc2oc(C)nn2)c3cc(C)c4OC(=O)N(C)c4c3;Cc1cc(cc2c1OC(=O)N2C)C(=CCCCc3nnc(o3)C)c4cc(c(c(c4)C(=O)SC)OC)C","InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+","S-methyl\n5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox\ny-3-methylbenzenecarbothioate","2009-08-25","2020-06-17","S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methoxy-3-methylbenzenecarbothioate",""],["UDS","N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE","C13 H12 N2 O5","O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO;OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O;c1ccc2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O","InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1","","2010-07-14","2011-06-04","N-[(3-hydroxyquinolin-2-yl)carbonyl]-D-serine",""],["BG4","5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID","C7 H14 N2 O3","O=C(O)C1NC(N(O)C)CC1C;C[CH]1C[CH](N[CH]1C(O)=O)N(C)O;CC1CC(NC1C(=O)O)N(C)O","InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1","","2004-07-14","2024-09-27","(3R,5R)-5-[hydroxy(methyl)amino]-3-methyl-D-proline",""],["BG5","5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID","C6 H12 N2 O3","O=C(O)C1NC(NO)CC1C;C[CH]1C[CH](NO)N[CH]1C(O)=O;CC1CC(NC1C(=O)O)NO","InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1","","2004-07-14","2024-09-27","(3R,5R)-5-(hydroxyamino)-3-methyl-D-proline",""],["UDT","O-DECYL HYDROGEN THIOCARBONATE","C11 H22 O2 S","O=C(OCCCCCCCCCC)S;CCCCCCCCCCOC(S)=O;CCCCCCCCCCOC(=O)S","InChI=1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-10-13-11(12)14/h2-10H2,1H3,(H,12,14)","","2007-07-26","2011-06-04","O-decyl hydrogen thiocarbonate",""],["BG6","6-O-phosphono-beta-D-glucopyranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1","BETA-D-GLUCOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-glucose; 6-O-phosphono-D-glucose; 6-O-phosphono-glucose","2000-08-29","2020-07-17","6-O-phosphono-beta-D-glucopyranose",""],["UDU","N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide","C73 H88 F N13 O16","CC1=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=CC(=O)NCC=C1)Cc1cn(nn1)CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc1;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1Cc4cn(CC[CH]5NC(=O)[CH](NC(=O)c6ncccc6O)[CH](C)OC(=O)[CH](NC(=O)[CH]7C[CH](O)CCN7C(=O)[CH](Cc8ccccc8)N(C)C(=O)[CH]9CCCN9C5=O)c%10ccccc%10)nn4)n3;CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCn6cc(nn6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co8)C(=O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O)c1c(cccn1)O","InChI=1S/C73H88FN13O16/c1-42(2)64-47(24-25-59(91)75-28-12-16-43(3)34-51(89)37-48(74)38-60-77-53(41-101-60)69(96)86-31-15-22-55(86)72(99)103-64)36-49-40-84(82-81-49)32-27-52-68(95)85-30-14-21-54(85)70(97)83(5)57(35-45-17-8-6-9-18-45)71(98)87-33-26-50(88)39-56(87)65(92)80-62(46-19-10-7-11-20-46)73(100)102-44(4)61(66(93)78-52)79-67(94)63-58(90)23-13-29-76-63/h6-13,16-20,23-25,29,34,40-42,44,47-48,50-52,54-57,61-62,64,88-90H,14-15,21-22,26-28,30-33,35-39H2,1-5H3,(H,75,91)(H,78,93)(H,79,94)(H,80,92)/b16-12+,25-24+,43-34+/t44-,47+,48-,50-,51-,52-,54+,55-,56+,57+,61+,62+,64-/m1/s1","","2022-08-17","2023-06-23","N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide","2023-06-28"],["BG7","N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide","C31 H43 F3 N6 O2","C1(CCNCC1)CC(N2CCc3c(C2)c(nn3CCCN(C)C)c4cc(c(cc4)C(F)(F)F)CNC(=O)C=C(C)C)=O;CN(C)CCCn1nc(c2ccc(c(CNC(=O)C=C(C)C)c2)C(F)(F)F)c3CN(CCc13)C(=O)CC4CCNCC4;CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C","InChI=1S/C31H43F3N6O2/c1-21(2)16-28(41)36-19-24-18-23(6-7-26(24)31(32,33)34)30-25-20-39(29(42)17-22-8-11-35-12-9-22)15-10-27(25)40(37-30)14-5-13-38(3)4/h6-7,16,18,22,35H,5,8-15,17,19-20H2,1-4H3,(H,36,41)","","2017-08-08","2017-12-15","N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide","2017-12-20"],["UDV","6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]","C23 H19 Cl N6","c4(C)nnc5C1(CC1)N=C(c2c(ccc(c2)c3cn(C)nc3)n45)c6ccc(cc6)Cl;Cn1cc(cn1)c2ccc3n4c(C)nnc4C5(CC5)N=C(c6ccc(Cl)cc6)c3c2;Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C","InChI=1S/C23H19ClN6/c1-14-27-28-22-23(9-10-23)26-21(15-3-6-18(24)7-4-15)19-11-16(5-8-20(19)30(14)22)17-12-25-29(2)13-17/h3-8,11-13H,9-10H2,1-2H3","","2020-05-08","2021-08-27","6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]","2021-09-01"],["BG8","2-(benzoylamino)-2-deoxy-beta-D-glucopyranose","C13 H17 N O6","C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O;OC[CH]1O[CH](O)[CH](NC(=O)c2ccccc2)[CH](O)[CH]1O;c1ccc(cc1)C(=O)NC2C(C(C(OC2O)CO)O)O","InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13-/m1/s1","N-benzoyl-beta-D-glucosamine; 2-(benzoylamino)-2-deoxy-beta-D-glucose; 2-(benzoylamino)-2-deoxy-D-glucose;\n2-(benzoylamino)-2-deoxy-glucose","2015-06-02","2020-07-17","2-(benzoylamino)-2-deoxy-beta-D-glucopyranose","2015-06-17"],["UDW","(S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide","C17 H23 N5 O3 S","N[S](=O)(=O)c1cccc(CNc2cc(ncn2)N3CCC[CH](CO)C3)c1;c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCCC(C3)CO","InChI=1S/C17H23N5O3S/c18-26(24,25)15-5-1-3-13(7-15)9-19-16-8-17(21-12-20-16)22-6-2-4-14(10-22)11-23/h1,3,5,7-8,12,14,23H,2,4,6,9-11H2,(H2,18,24,25)(H,19,20,21)/t14-/m1/s1","3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide","2021-02-11","2021-10-15","3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide","2021-10-20"],["UDX","URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE","C14 H22 N2 O16 P2","O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;O[CH]1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH]1O;C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O","InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1","UDP-ALPHA-D-XYLOPYRANOSE","1999-12-13","2021-03-01","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["BG9","(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)","C12 H10 O4","c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[C@H]C(O)=O;OC(=O)C=Cc1ccccc1C=CC(O)=O;c1ccc(c(c1)C=CC(=O)O)C=CC(=O)O","InChI=1S/C12H10O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+","","2019-01-31","2020-01-10","(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)","2020-01-15"],["BGC","beta-D-glucopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1","beta-D-glucose; D-glucose; glucose","2002-01-22","2026-01-27","beta-D-glucopyranose",""],["UDY","6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine","C15 H9 F N4 S2","Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1;c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F","InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)","","2017-01-27","2017-10-20","6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine","2017-10-25"],["BGD","N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE","C32 H34 F4 N4 O12 P2","FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C(NC(=O)c2ccccc2)CCC(=O)O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O)P(=O)(O)O;NC(=O)[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)NC(=O)[CH](Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)c3ccccc3;c1ccc(cc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)NC(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N","InChI=1S/C32H34F4N4O12P2/c33-31(34,53(47,48)49)21-10-6-18(7-11-21)16-24(27(37)43)39-30(46)25(17-19-8-12-22(13-9-19)32(35,36)54(50,51)52)40-29(45)23(14-15-26(41)42)38-28(44)20-4-2-1-3-5-20/h1-13,23-25H,14-17H2,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)(H,41,42)(H2,47,48,49)(H2,50,51,52)/t23-,24-,25-/m0/s1","4-BENZOYLAMINO-4-{1-{1-CARBAMOYL-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-BUTYRIC ACID","2002-05-16","2021-03-01","N-(phenylcarbonyl)-L-alpha-glutamyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide",""],["UDZ","[(2R,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium","C17 H27 N6 O16 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3NC(=O)C)C/N=[N+]=[N@H])O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CN=[N+]=N)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O","InChI=1S/C17H26N6O16P2/c1-6(24)20-10-13(28)11(26)7(4-19-22-18)37-16(10)38-41(33,34)39-40(31,32)35-5-8-12(27)14(29)15(36-8)23-3-2-9(25)21-17(23)30/h2-3,7-8,10-16,18,26-29H,4-5H2,1H3,(H3-,20,21,24,25,30,31,32,33,34)/p+1/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1","","2012-11-30","2013-06-07","1-{[(2R,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]methyl}triaza-1,2-dien-2-ium (non-preferred name)","2013-06-12"],["UE0","(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid","C15 H19 N O3","CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2;Cc1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O","InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1","","2023-02-01","2024-02-16","(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid","2024-02-21"],["BGE","4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine","C19 H21 N5 O","Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2;Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4","InChI=1S/C19H21N5O/c1-14-19(22-13-21-14)15-6-7-20-18(12-15)23-16-2-4-17(5-3-16)24-8-10-25-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,22)","","2017-10-02","2018-08-03","4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine","2018-08-08"],["BGF","2,5-BIS(4-GUANYLPHENYL)FURAN","C18 H18 N4 O","o1c(ccc1c2ccc(C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])N)cc3;NC(=[NH2+])c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH2+];c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N","InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2","","1999-07-08","2011-06-04","(furan-2,5-diyldibenzene-4,1-diyl)bis(aminomethaniminium)",""],["UE1","(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-\n1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate","C23 H27 N10 O13 S2","O=C1N(C(=NN1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=NOC(C([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3)CC(O)CO;CC(C)(ON=C(C(=O)N[CH](CNC(=O)N[S](=O)(=O)N1N=C(N(C[CH](O)CO)C1=O)c2cc(O)c(O)cn2)C=O)c3csc(N)n3)C([O-])=O;CC(C)(C(=O)[O-])ON=C(c1csc(n1)N)C(=O)NC(CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)CC(CO)O)C=O","InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)46-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21(42)31-48(44,45)33-22(43)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,27,39)(H,40,41)(H2,26,31,42)/p-1/b30-16-/t10-,11+/m0/s1","MC-1 (open form)","2011-11-14","2024-09-27","(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate",""],["BGG","CARBONIC ACID MONOBENZYL ESTER","C8 H8 O3","O=C(OCc1ccccc1)O;OC(=O)OCc1ccccc1;c1ccc(cc1)COC(=O)O","InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)","","2000-04-06","2012-04-05","benzyl hydrogen carbonate",""],["UE2","(R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide","C26 H38 N6 O2","CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3)C2;CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NC)O)C","InChI=1S/C26H38N6O2/c1-25(2)10-13-31(14-11-25)16-20-5-7-21(8-6-20)24(33)28-17-26(34)9-4-12-32(18-26)23-15-22(27-3)29-19-30-23/h5-8,15,19,34H,4,9-14,16-18H2,1-3H3,(H,28,33)(H,27,29,30)/t26-/m1/s1","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide","2021-02-11","2021-08-27","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide","2021-09-01"],["BGH","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C13 H20 N5 O9 P","CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2CN(C(C)=O)C3=C2N=C(N)NC3=O;CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)OC","InChI=1S/C13H20N5O9P/c1-5(19)17-4-18(10-7(17)11(21)16-13(14)15-10)12-9(25-2)8(20)6(27-12)3-26-28(22,23)24/h6,8-9,12,20H,3-4H2,1-2H3,(H2,22,23,24)(H3,14,15,16,21)/t6-,8-,9-,12-/m1/s1","","2017-10-04","2018-10-20","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2018-01-24"],["UE3","(2R)-2-oxidanylpentanoic acid","C5 H10 O3","CCC[CH](O)C(O)=O;CCCC(C(=O)O)O","InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1","(2R)-2-hydroxypentanoic acid","2023-05-26","2023-10-13","(2~{R})-2-oxidanylpentanoic acid","2023-10-18"],["BGI","(2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name)","C20 H25 N5 O10","Oc1ccc(nc1)C(O)C(C)C(N)C(=O)NC(C1OC(N2C=CC(=O)NC2=O)C(O)C1O)C(=O)O;C[CH]([CH](N)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)C(O)=O)[CH](O)c3ccc(O)cn3;CC(C(c1ccc(cn1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N","InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1","Nikkomycin Z","2021-11-15","2022-07-08","(2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name)","2022-07-13"],["UE5","(R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide","C32 H42 N6 O2","CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4;CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C","InChI=1S/C32H42N6O2/c1-31(2)14-17-37(18-15-31)21-26-9-11-27(12-10-26)30(39)34-22-32(40)13-6-16-38(23-32)29-19-28(35-24-36-29)33-20-25-7-4-3-5-8-25/h3-5,7-12,19,24,40H,6,13-18,20-23H2,1-2H3,(H,34,39)(H,33,35,36)/t32-/m1/s1","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-02-11","2021-10-15","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["UE6","N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide","C34 H47 F N8 O7","NCc1cn(nn1)CCNC(=O)CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC1C(C)C;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC(=O)NCCn4cc(CN)nn4)n3;CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC(=O)NCCn4cc(nn4)CN)C(C)C)F)O","InChI=1S/C34H47FN8O7/c1-21(2)32-23(15-30(46)38-11-13-42-19-25(18-36)40-41-42)8-9-29(45)37-10-4-6-22(3)14-26(44)16-24(35)17-31-39-27(20-49-31)33(47)43-12-5-7-28(43)34(48)50-32/h4,6,8-9,14,19-21,23-24,26,28,32,44H,5,7,10-13,15-18,36H2,1-3H3,(H,37,45)(H,38,46)/b6-4+,9-8+,22-14+/t23-,24+,26+,28+,32+/m0/s1","","2022-08-17","2023-06-23","N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide","2023-06-28"],["BGJ","1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine","C39 H44 Cl2 N6 O2 S","C7C(N1CCN(CC1)CCCn5c6c(c(c2cc(c(cc2)Cl)C#Cc4ccc(CNCc3ccc(cc3)Cl)cc4)n5)CN(CC6)S(C)(=O)=O)C7;C[S](=O)(=O)N1CCc2n(CCCN3CCN(CC3)C4CC4)nc(c5ccc(Cl)c(c5)C#Cc6ccc(CNCc7ccc(Cl)cc7)cc6)c2C1;CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1","InChI=1S/C39H44Cl2N6O2S/c1-50(48,49)46-20-17-38-36(28-46)39(43-47(38)19-2-18-44-21-23-45(24-22-44)35-14-15-35)33-11-16-37(41)32(25-33)10-7-29-3-5-30(6-4-29)26-42-27-31-8-12-34(40)13-9-31/h3-6,8-9,11-13,16,25,35,42H,2,14-15,17-24,26-28H2,1H3","","2017-08-08","2017-12-15","1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine","2017-12-20"],["BGK","4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde","C13 H8 N2 O2 S","O=Cc1ccc(Oc2sc3cccnc3n2)cc1;c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O","InChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H","","2017-10-04","2017-12-08","4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde","2017-12-13"],["UE7","1-ethyl-3-(4-sulfamoylphenyl)urea","C9 H13 N3 O3 S","CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O;CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13)","4-(3-ethylureido)benzenesulfonamide","2023-02-02","2024-02-16","1-ethyl-3-(4-sulfamoylphenyl)urea","2024-02-21"],["BGL","2-O-octyl-beta-D-glucopyranose","C14 H28 O6","O(CCCCCCCC)C1C(O)C(O)C(OC1O)CO;CCCCCCCCO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(OC1O)CO)O)O","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1","2-O-octyl-beta-D-glucose; 2-O-octyl-D-glucose; 2-O-octyl-glucose","1999-07-08","2020-07-17","2-O-octyl-beta-D-glucopyranose",""],["UE8","2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one","C10 H12 N4 O2 S","O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13;c1[nH]c2c(n1)C(=O)NC(=S)N2CC3CCCO3","InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1","3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one","2021-02-11","2022-02-18","3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one","2022-02-23"],["UE9","5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide","C22 H18 F4 N4 O2","FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC;CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(c3)C(F)(F)F)c1;Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)F)C(F)(F)F","InChI=1S/C22H18F4N4O2/c1-12-5-3-4-6-17(12)29-19-18(9-14(11-28-19)20(31)27-2)30-21(32)13-7-15(22(24,25)26)10-16(23)8-13/h3-11H,1-2H3,(H,27,31)(H,28,29)(H,30,32)","","2023-09-04","2023-11-17","5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide","2023-11-22"],["BGM","8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C10 H13 Br N5 O7 P","O=P(O)(O)OCC1OC(CC1O)n1c(Br)nc2c1N=C(N)NC2=O;NC1=Nc2n([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c(Br)nc2C(=O)N1;C1C(C(OC1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O","InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1","","2002-11-21","2024-03-21","8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate)",""],["BGN","2-(butanoylamino)-2-deoxy-beta-D-glucopyranose","C10 H19 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)CCC;CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CCCC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10-/m1/s1","N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE; N-BUTANOYL-GLUCOSAMINE; N-butanoyl-beta-D-glucosamine;\n2-(butanoylamino)-2-deoxy-beta-D-glucose; 2-(butanoylamino)-2-deoxy-D-glucose; 2-(butanoylamino)-2-deoxy-glucose","2001-07-31","2020-07-17","2-(butanoylamino)-2-deoxy-beta-D-glucopyranose",""],["UEA","beta-D-sorbofuranose","C6 H12 O6","OC1(C(C(C(O1)CO)O)O)CO;OC[CH]1O[C](O)(CO)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4+,5-,6-/m1/s1","beta-D-sorbose; D-sorbose; sorbose","2020-05-09","2020-07-17","beta-D-sorbofuranose","2020-07-29"],["BGO","3'-O-(N-methylanthraniloyl)guanosine-5'-diphosphate","C18 H22 N6 O12 P2","O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N;CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=C(NC4=O)N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C18H22N6O12P2/c1-20-9-5-3-2-4-8(9)17(27)35-13-10(6-33-38(31,32)36-37(28,29)30)34-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,31,32)(H2,28,29,30)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1","","2011-08-16","2011-12-09","3'-O-[2-(methylamino)benzoyl]guanosine 5'-(trihydrogen diphosphate)",""],["UEB","(S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","C20 H18 N4 O S","N[CH](c1ccccc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34;c1ccc(cc1)C(c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N","InChI=1S/C20H18N4OS/c21-17(13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-24-16-10-11-22-18(16)19(25)23-20(24)26/h1-11,17,22H,12,21H2,(H,23,25,26)/t17-/m1/s1","1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","2021-02-11","2022-02-18","1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one","2022-02-23"],["BGP","6-O-phosphono-beta-D-galactopyranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)C(O)C(O)C1O;O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1","BETA-GALACTOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-galactose; 6-O-phosphono-D-galactose; 6-O-phosphono-galactose","1999-07-08","2020-07-17","6-O-phosphono-beta-D-galactopyranose",""],["UEC","2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide","C38 H47 F N8 O7","CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn1cc(nn1)c1ccncc1;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC(=O)NCCn4cc(nn4)c5ccncc5)n3;CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C)F)O","InChI=1S/C38H47FN8O7/c1-24(2)36-27(19-34(50)42-15-17-46-22-30(44-45-46)26-10-13-40-14-11-26)8-9-33(49)41-12-4-6-25(3)18-29(48)20-28(39)21-35-43-31(23-53-35)37(51)47-16-5-7-32(47)38(52)54-36/h4,6,8-11,13-14,18,22-24,27-29,32,36,48H,5,7,12,15-17,19-21H2,1-3H3,(H,41,49)(H,42,50)/b6-4+,9-8+,25-18+/t27-,28+,29+,32+,36+/m0/s1","","2022-08-17","2023-06-23","2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide","2023-06-28"],["BGQ","2-HYDROXY BUTANE-1,4-DIOL","C4 H10 O3","OCC(O)CCO;OCC[CH](O)CO;C(CO)C(CO)O","InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1","","2014-09-29","2025-12-15","(2R)-butane-1,2,4-triol","2016-01-20"],["UED","N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C21 H31 N3 O5","C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2","InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1","GC373 bound form, GC376 bound form","2020-05-11","2024-09-27","N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-05-20"],["UEE","(R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide","C31 H38 N6 O2","O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)C5)cc4;c1ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O","InChI=1S/C31H38N6O2/c38-29(26-10-8-25(9-11-26)18-36-20-30(21-36)12-4-13-30)33-19-31(39)14-5-15-37(22-31)28-16-27(34-23-35-28)32-17-24-6-2-1-3-7-24/h1-3,6-11,16,23,39H,4-5,12-15,17-22H2,(H,33,38)(H,32,34,35)/t31-/m1/s1","4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-02-11","2021-10-15","4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["BGR","[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide","C10 H16 B N5 O6 P","[BH3-][P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N;[BH3-]P(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O","InChI=1S/C10H16BN5O6P/c11-23(19,20)21-2-5-4(17)1-6(22-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,11H3,(H,19,20)(H3,12,14,15,18)/q-1/t4-,5+,6+/m0/s1","","2011-04-13","2011-06-24","[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide",""],["BGS","(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol","C8 H16 O7 S","O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC;CC[S](=O)(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCS(=O)(=O)C1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1","BETA-D-GLUCOPYRANOSYLSULFONYLETHANE","2005-10-26","2024-09-27","(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol",""],["UEF","~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide","C12 H15 N3 O S","CC1(C)CC(C1)NC(=O)c2csc3cncn23;CC1(CC(C1)NC(=O)c2csc3n2cnc3)C","InChI=1S/C12H15N3OS/c1-12(2)3-8(4-12)14-11(16)9-6-17-10-5-13-7-15(9)10/h5-8H,3-4H2,1-2H3,(H,14,16)","","2023-02-02","2024-02-16","~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide","2024-02-21"],["BGT","TERT-BUTYL D-ALPHA-GLUTAMINATE","C9 H18 N2 O3","O=C(OC(C)(C)C)C(N)CCC(=O)N;CC(C)(C)OC(=O)[CH](N)CCC(N)=O;CC(C)(C)OC(=O)C(CCC(=O)N)N","InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H2,11,12)/t6-/m0/s1","GLUTAMINE T-BUTYL ESTER","2005-07-29","2021-03-01","tert-butyl L-glutaminate",""],["UEG","4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol","C8 H11 N O3","Oc1c(c(cnc1C)CO)CO;Cc1ncc(CO)c(CO)c1O;Cc1c(c(c(cn1)CO)CO)O","InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3","","2013-09-12","2024-09-27","4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol","2014-03-19"],["UEH","(R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide","C34 H45 N7 O4","CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C](O)(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1;CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C","InChI=1S/C34H45N7O4/c1-33(2)11-14-40(15-12-33)20-25-8-9-27(28(42)17-25)32(44)37-21-34(45)10-5-13-41(22-34)30-18-29(38-23-39-30)36-19-24-6-4-7-26(16-24)31(43)35-3/h4,6-9,16-18,23,42,45H,5,10-15,19-22H2,1-3H3,(H,35,43)(H,37,44)(H,36,38,39)/t34-/m1/s1","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","2021-02-11","2021-10-15","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","2021-10-20"],["BGU","2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C9 H8 N6 O","O=C1c3c(N=C(N1)N)cc2nc(N)nc2c3;NC1=Nc2cc3nc(N)[nH]c3cc2C(=O)N1;c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N","InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)","2-Amino-lin-Benzogunaine","2007-08-28","2021-03-01","2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["UEI","(2R,3S)-3-methyl-2-oxidanyl-pentanoic acid","C6 H12 O3","CC[CH](C)[CH](O)C(O)=O;CCC(C)C(C(=O)O)O","InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1","(2R,3S)-2-hydroxy-3-methylpentanoic acid","2023-05-27","2023-10-13","(2~{R},3~{S})-3-methyl-2-oxidanyl-pentanoic acid","2023-10-18"],["BGV","(3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate","C17 H20 O5","O=C1C=CC2C(CC3OC(=O)C(=C)C3C(OC(=O)C)C12C)C;C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH]1C=CC3=O;CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1","bigelovin","2010-10-07","2021-03-01","(3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate",""],["BGW","1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid","C20 H20 N2 O3 S","OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc2;c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O","InChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24)","","2017-10-04","2017-12-08","1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid","2017-12-13"],["UEJ","N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide","C33 H25 F N6 O5 S","c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O)Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)c3)O)C(c5c6)=O;CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4c(F)ccc(O)c4CN5C(=O)c6ccccc6C5=O)c3;CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F","InChI=1S/C33H25FN6O5S/c1-17(41)36-26-15-19(12-13-35-26)29-28(38-33(39-29)46-2)18-6-5-7-20(14-18)37-30(43)27-23(25(42)11-10-24(27)34)16-40-31(44)21-8-3-4-9-22(21)32(40)45/h3-15,42H,16H2,1-2H3,(H,37,43)(H,38,39)(H,35,36,41)","","2020-05-12","2021-05-14","N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide","2021-05-19"],["BGX","4-METHYL-PYRROLINE-5-CARBOXYLIC ACID","C6 H9 N O2","O=C(O)C1NC=CC1C;C[CH]1C=CN[CH]1C(O)=O;CC1C=CNC1C(=O)O","InChI=1S/C6H9NO2/c1-4-2-3-7-5(4)6(8)9/h2-5,7H,1H3,(H,8,9)/t4-,5-/m1/s1","","2002-03-05","2011-06-04","(2R,3R)-3-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid",""],["UEK","N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide","C29 H30 Cl2 F N3 O3","O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1)c2)C(CO)C3)CC(N)Cc4ccc(Cl)cc4;N[CH](CC(=O)N1C[CH](CO)[CH](C1)c2ccc(Cl)c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4;c1cc(ccc1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl","InChI=1S/C29H30Cl2FN3O3/c30-22-6-1-18(2-7-22)11-24(33)14-29(38)35-15-21(17-36)25(16-35)20-5-10-26(31)27(13-20)34-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,36H,11-12,14-17,33H2,(H,34,37)/t21-,24-,25-/m1/s1","","2014-04-14","2014-09-26","N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide","2014-10-01"],["BGY","tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate","C31 H43 Cl I N5 O4","C(CCn2c3c(c(c1cc(c(cc1)Cl)I)n2)CN(CC3)C(=O)CC4CCN(CC4)C(=O)OC(C)(C)C)N5CCOCC5;CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3n(CCCN4CCOCC4)nc(c5ccc(Cl)c(I)c5)c3C2;CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2","InChI=1S/C31H43ClIN5O4/c1-31(2,3)42-30(40)36-12-7-22(8-13-36)19-28(39)37-14-9-27-24(21-37)29(23-5-6-25(32)26(33)20-23)34-38(27)11-4-10-35-15-17-41-18-16-35/h5-6,20,22H,4,7-19,21H2,1-3H3","","2017-08-08","2017-12-15","tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate","2017-12-20"],["UEL","(7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol","C9 H14 N5 O7 P","O=P(O)(O)OCC1OC(CC1O)n1nnc2c1N=CNC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2nnc3[CH](O)NC=Nc23;C1C(C(OC1n2c3c(nn2)C(NC=N3)O)COP(=O)(O)O)O","InChI=1S/C9H14N5O7P/c15-4-1-6(21-5(4)2-20-22(17,18)19)14-8-7(12-13-14)9(16)11-3-10-8/h3-6,9,15-16H,1-2H2,(H,10,11)(H2,17,18,19)/t4-,5+,6+,9+/m0/s1","","2022-08-17","2023-01-06","(7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol","2023-01-11"],["BGZ","[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate","C30 H48 O8","CC[CH](O)[CH](C)[CH]1O[CH]1C[CH](C)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C;CCC(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O","InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1","","2017-10-04","2018-06-15","[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate","2018-06-20"],["UEM","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","C27 H27 N5 O5 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(O)=O;c1ccc2c(c1)cccc2C#Cc3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O)N)O)O","InChI=1S/C27H27N5O5S/c28-19(27(35)36)10-11-38-13-20-22(33)23(34)26(37-20)32-12-17(21-24(29)30-14-31-25(21)32)9-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12,14,19-20,22-23,26,33-34H,10-11,13,28H2,(H,35,36)(H2,29,30,31)/t19-,20+,22+,23+,26+/m0/s1","","2023-02-02","2023-03-31","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","2023-04-05"],["BH0","3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE","C32 H30 N4 O6 S","O=S(=O)(c1cccc(C#N)c1)N2N(C(=O)N(C(C(O)C2)Cc3ccccc3)Cc4ccc(O)cc4)Cc5ccc(O)cc5;O[CH]1CN(N(Cc2ccc(O)cc2)C(=O)N(Cc3ccc(O)cc3)[CH]1Cc4ccccc4)[S](=O)(=O)c5cccc(c5)C#N;c1ccc(cc1)CC2C(CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O","InChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1","","2004-05-11","2011-06-04","3-{[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitrile",""],["UEN","N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C18 H20 F N5","Fc4ccc(c3c1c(nc(nc1NC2CCCCC2)N)nc3)cc4;Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC4)n1;c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F","InChI=1S/C18H20FN5/c19-12-8-6-11(7-9-12)14-10-21-16-15(14)17(24-18(20)23-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H4,20,21,22,23,24)","","2014-01-16","2015-01-16","N~4~-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["UEO","1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one","C19 H24 N6 O2","CCC(=O)N1CCCC(CC1)Oc1nc(cn2nccc12)c1cn(C)nc1;CCC(=O)N1CCC[CH](CC1)Oc2nc(cn3nccc23)c4cnn(C)c4;CCC(=O)N1CCCC(CC1)Oc2c3ccnn3cc(n2)c4cnn(c4)C","InChI=1S/C19H24N6O2/c1-3-18(26)24-9-4-5-15(7-10-24)27-19-17-6-8-20-25(17)13-16(22-19)14-11-21-23(2)12-14/h6,8,11-13,15H,3-5,7,9-10H2,1-2H3/t15-/m1/s1","","2023-09-04","2024-06-21","1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one","2024-06-26"],["BH1","BACTERIOPHEOPHYTIN","C55 H78 N4 O6","O=C(OC)C3C(=O)c2c(c1C=C6NC(=Cc5nc(C=C4NC(=C3c2n1)C(C4C)CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)c(c5C(=O)C)C)C(C)C6CC)C;CC[CH]1[CH](C)C2=Cc3[nH]c(C=C4NC(=C5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)C=C1N2)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c(C)c3C(C)=O;CCC1C(C2=Cc3c(c(c([nH]3)C=C4C(C(C(=C5c6c(c(c([nH]6)C=C1N2)C)C(=O)C5C(=O)OC)N4)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C","InChI=1S/C55H78N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,56-59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,45-28-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1","","2004-12-07","2013-03-18","methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14,24,26-tetrahydrophorbine-21-carboxylate",""],["UEP","6-ethyluridine 5'-phosphate","C11 H17 N2 O9 P","O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O;CCC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CCC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1","6-ethyl-UMP","2008-10-23","2024-09-27","6-ethyluridine 5'-(dihydrogen phosphate)",""],["BH2","(3R)-3-hydroxy-L-aspartic acid","C4 H7 N O5","O=C(O)C(O)C(C(=O)O)N;N[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)N","InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1","","2011-01-07","2024-09-27","(3R)-3-hydroxy-L-aspartic acid",""],["BH3","hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","C20 H40 N2 O6 P2","[O-]P(=O)(O)C(P(=O)(O)O)Cn1cc[n+](c1)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCC[n+]1ccn(C[CH]([P](O)(O)=O)[P](O)([O-])=O)c1;CCCCCCCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-]","InChI=1S/C20H40N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(29(23,24)25)30(26,27)28/h16-17,19-20H,2-15,18H2,1H3,(H3-,23,24,25,26,27,28)","","2013-06-14","2014-06-13","hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","2014-06-18"],["UEQ","4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","C34 H42 N6 O2","O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)[CH]5C7CC7)cc4;c1ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5C7CC7)CCC6)O","InChI=1S/C34H42N6O2/c41-32(28-10-8-26(9-11-28)20-40-22-33(14-4-15-33)31(40)27-12-13-27)36-21-34(42)16-5-17-39(23-34)30-18-29(37-24-38-30)35-19-25-6-2-1-3-7-25/h1-3,6-11,18,24,27,31,42H,4-5,12-17,19-23H2,(H,36,41)(H,35,37,38)/t31-,34-/m1/s1","4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-02-11","2021-10-15","4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["BH4","(6R,1'R,2'S)-5,6,7,8 TETRAHYDROBIOPTERIN","C9 H15 N5 O3","O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C;C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N;CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O","InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1/f/h11,14H,10H2","","1999-07-08","2008-10-14","(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one",""],["UER","1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one","C21 H23 Cl F3 N3 O3 S","FC(F)(F)c1ccc(nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1;CC(C)(C(=O)N1CCN(CC1)Cc2ccc(Cl)cc2)[S](=O)(=O)c3ccc(cn3)C(F)(F)F;CC(C)(C(=O)N1CCN(CC1)Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cn3)C(F)(F)F","InChI=1S/C21H23ClF3N3O3S/c1-20(2,32(30,31)18-8-5-16(13-26-18)21(23,24)25)19(29)28-11-9-27(10-12-28)14-15-3-6-17(22)7-4-15/h3-8,13H,9-12,14H2,1-2H3","","2022-08-17","2023-08-04","1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one","2023-08-09"],["BH5","hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","C20 H40 N2 O7 P2","[O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1cc[n+](c1)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCC[n+]1ccn(C[C](O)([P](O)(O)=O)[P](O)([O-])=O)c1;CCCCCCCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]","InChI=1S/C20H40N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(23,30(24,25)26)31(27,28)29/h16-17,19,23H,2-15,18H2,1H3,(H3-,24,25,26,27,28,29)","","2013-06-18","2014-06-13","hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","2014-06-18"],["UES","~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine","C24 H26 N6","CN1CCC(CC1)c2ccc(Nc3ncc4ccc(cc4n3)c5cnn(C)c5)cc2;Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)C5CCN(CC5)C","InChI=1S/C24H26N6/c1-29-11-9-18(10-12-29)17-5-7-22(8-6-17)27-24-25-14-20-4-3-19(13-23(20)28-24)21-15-26-30(2)16-21/h3-8,13-16,18H,9-12H2,1-2H3,(H,25,27,28)","","2023-02-02","2023-08-11","~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine","2023-08-16"],["BH6","{[(2-chlorobenzoyl)amino]methyl}boronic acid","C8 H9 B Cl N O3","O=C(c1ccccc1Cl)NCB(O)O;OB(O)CNC(=O)c1ccccc1Cl;B(CNC(=O)c1ccccc1Cl)(O)O","InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)","","2011-01-13","2024-09-27","{[(2-chlorobenzoyl)amino]methyl}boronic acid",""],["UET","N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE","C26 H29 N5 O4 S","O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)Cc2ccccc2)Cc3ccccc3;NC(=N)c1ccc(CNC(=O)CNC(=O)[CH](Cc2ccccc2)N[S](=O)(=O)Cc3ccccc3)cc1;c1ccc(cc1)CC(C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3","InChI=1S/C26H29N5O4S/c27-25(28)22-13-11-20(12-14-22)16-29-24(32)17-30-26(33)23(15-19-7-3-1-4-8-19)31-36(34,35)18-21-9-5-2-6-10-21/h1-14,23,31H,15-18H2,(H3,27,28)(H,29,32)(H,30,33)/t23-/m1/s1","","2015-01-27","2015-08-21","N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)glycinamide","2015-08-26"],["UEU","4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile","C28 H27 F2 N3 O2","CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4;CC(C)(Cc1ccc(c(c1)F)c2ccc(cc2c3ccc(c(c3)F)C#N)C(=O)N4CCC(C4)N)O","InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1","","2023-05-29","2024-05-17","4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile","2024-05-22"],["BH7","E-AMINO BIOTINYL CAPROIC ACID","C16 H27 N3 O4 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O;OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2","InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1","6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID","2002-04-15","2020-06-17","6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid",""],["BH8","hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","C15 H30 N2 O6 P2","[O-]P(=O)(O)C(P(=O)(O)O)Cn1cc[n+](c1)CCCCCCCCCC;CCCCCCCCCC[n+]1ccn(C[CH]([P](O)(O)=O)[P](O)([O-])=O)c1;CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-]","InChI=1S/C15H30N2O6P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(24(18,19)20)25(21,22)23/h11-12,14-15H,2-10,13H2,1H3,(H3-,18,19,20,21,22,23)","","2013-06-14","2014-06-13","hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate","2014-06-18"],["UEV","(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","C6 H19 O27 P7","C1(C(C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(O)(=O)O)C1OP(=O)(O)O)OP(O)(O)=O)OP(=O)(O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4+,5-,6+","","2020-05-13","2021-02-26","(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate","2021-03-03"],["BH9","4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide","C21 H21 N5 O","O=C(c1ccc(cc1)C(C)(C)C)Nc4nc3n(cc(c2cnnc2)cc3)c4;CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4;CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4","InChI=1S/C21H21N5O/c1-21(2,3)17-7-4-14(5-8-17)20(27)25-18-13-26-12-15(6-9-19(26)24-18)16-10-22-23-11-16/h4-13H,1-3H3,(H,22,23)(H,25,27)","","2013-04-04","2013-06-28","4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide","2013-07-03"],["UEW","N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide","C34 H44 N6 O2","CC(C)[CH]1N(Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6;CC(C)C1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NCC4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O","InChI=1S/C34H44N6O2/c1-25(2)31-33(14-6-15-33)22-40(31)20-27-10-12-28(13-11-27)32(41)36-21-34(42)16-7-17-39(23-34)30-18-29(37-24-38-30)35-19-26-8-4-3-5-9-26/h3-5,8-13,18,24-25,31,42H,6-7,14-17,19-23H2,1-2H3,(H,36,41)(H,35,37,38)/t31-,34+/m0/s1","~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide","2021-02-11","2021-10-15","~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide","2021-10-20"],["UEX","6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid","C25 H23 Cl N6 O3","C[CH](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4;Cc1cc2c(c(c1)C(C)Nc3ccc(nc3C(=O)O)Cl)N=C(N(C2=O)C)N4Cc5ccncc5C4","InChI=1S/C25H23ClN6O3/c1-13-8-17(14(2)28-19-4-5-20(26)29-22(19)24(34)35)21-18(9-13)23(33)31(3)25(30-21)32-11-15-6-7-27-10-16(15)12-32/h4-10,14,28H,11-12H2,1-3H3,(H,34,35)/t14-/m1/s1","","2023-09-08","2024-04-12","6-chloranyl-3-[[(1~{R})-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid","2024-04-17"],["BHA","2-HYDROXY-4-AMINOBENZOIC ACID","C7 H7 N O3","O=C(O)c1ccc(cc1O)N;Nc1ccc(C(O)=O)c(O)c1;c1cc(c(cc1N)O)C(=O)O","InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)","","1999-07-08","2011-06-04","4-amino-2-hydroxybenzoic acid",""],["BHB","2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE","C13 H19 N5 O S","O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCN(C)C;CN(C)CCSCc1cc(N)cc2C(=O)NC(=Nc12)N;CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N","InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19)","","2003-08-15","2011-06-04","2,6-diamino-8-({[2-(dimethylamino)ethyl]sulfanyl}methyl)quinazolin-4(3H)-one",""],["UEY","7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C19 H17 N5","c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4;Nc1cc([CH](Cc2ccccc2)c3ccccc3)c4nn[nH]c4n1;c1ccc(cc1)CC(c2ccccc2)c3cc(nc4c3nn[nH]4)N","InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1","","2020-05-14","2020-10-09","7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2020-10-14"],["BHC","BENZENE HEXACARBOXYLIC ACID","C12 H6 O12","O=C(O)c1c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O;OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O;c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)","","1999-07-08","2011-06-04","benzene-1,2,3,4,5,6-hexacarboxylic acid",""],["UEZ","(R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol","C35 H44 N6 O","CC1(C)CCN(CC1)Cc2ccc3c(NC[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)cccc3c2;CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NCC4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C","InChI=1S/C35H44N6O/c1-34(2)15-18-40(19-16-34)23-28-12-13-30-29(20-28)10-6-11-31(30)37-24-35(42)14-7-17-41(25-35)33-21-32(38-26-39-33)36-22-27-8-4-3-5-9-27/h3-6,8-13,20-21,26,37,42H,7,14-19,22-25H2,1-2H3,(H,36,38,39)/t35-/m1/s1","(3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol","2021-02-11","2021-10-15","(3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol","2021-10-20"],["BHD","(3S)-3-hydroxy-L-aspartic acid","C4 H7 N O5","O=C(O)C(O)C(C(=O)O)N;N[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)N","InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1","BETA-HYDROXYASPARTIC ACID","1999-07-08","2024-09-27","(3S)-3-hydroxy-L-aspartic acid",""],["UF0","O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine","C16 H31 N4 O11 P","CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CO;CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCNC(=O)CO)O","InChI=1S/C16H31N4O11P/c1-16(2,9-31-32(28,29)30-8-10(17)15(26)27)13(24)14(25)20-4-3-11(22)18-5-6-19-12(23)7-21/h10,13,21,24H,3-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,25)(H,26,27)(H,28,29)/t10-,13-/m0/s1","","2009-11-20","2024-09-27","(2S)-2-azanyl-3-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxyethanoylamino)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl]oxy-propanoic acid",""],["BHE","octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside","C20 H38 O10","O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O;CCCCCCCCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)C)O)O)O","InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1","H-antigen acceptor; alpha-L-Fucp-(1,2)-Beta-D-Galp-O(CH2)7CH3","2008-01-04","2020-06-17","octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside",""],["UF2","1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione","C9 H12 F N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O;O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1","2'-fluoro-2'-deoxyuridine","2011-11-04","2020-06-17","1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["BHF","2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE","C19 H12 O2","O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4;O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4;c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2","InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H","7,8-BENZOFLAVONE; ALPHA-NAPHTHOFLAVONE","2006-06-30","2020-06-17","2-phenyl-4H-benzo[h]chromen-4-one",""],["UF3","9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione","C11 H6 Cl N3 O2","Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1;c1cc2c(cc1Cl)c3c(cn2)NC(=O)C(=O)N3","InChI=1S/C11H6ClN3O2/c12-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)11(17)15-9/h1-4H,(H,14,16)(H,15,17)","","2023-02-03","2024-02-16","9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione","2024-02-21"],["BHG","hexyl beta-D-galactopyranoside","C12 H24 O6","O(CCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1","2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL; hexyl beta-D-galactoside; hexyl D-galactoside; hexyl\ngalactoside","2000-10-11","2020-07-17","hexyl beta-D-galactopyranoside",""],["UF4","4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine","C26 H25 N5 O3","CC(N)(C#Cc1cnc2n(cnc2c1)Cc3cc4c(cc3)OC(CO4)c5cnc(cc5)OC)C;COc1ccc(cn1)[CH]2COc3cc(Cn4cnc5cc(cnc45)C#CC(C)(C)N)ccc3O2;CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OCC(O4)c5ccc(nc5)OC)N","InChI=1S/C26H25N5O3/c1-26(2,27)9-8-17-10-20-25(29-12-17)31(16-30-20)14-18-4-6-21-22(11-18)33-15-23(34-21)19-5-7-24(32-3)28-13-19/h4-7,10-13,16,23H,14-15,27H2,1-3H3/t23-/m1/s1","","2020-05-14","2021-02-05","4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine","2021-02-10"],["BHH","N-BUTYL-N'-HYDROXYGUANIDINE","C5 H13 N3 O","[N@H]=C(NCCCC)NO;CCCCNC(=N)NO;CCCCNC(=N)NO","InChI=1S/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)","","2002-06-25","2011-06-04","1-butyl-3-hydroxyguanidine",""],["UF5","6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide","C8 H9 Cl N2 O2 S2","Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3;c1c2c(sc1Cl)S(=O)(=O)NCN2C3CC3","InChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2","","2023-09-05","2023-12-22","6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide","2023-12-27"],["UF6","(2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol","C23 H32 N4 O6","[O-][N+](=O)c1cc(cc(c1)NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ccncc1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2cc(cc(c2)[N+]([O-])=O)c3ccncc3;c1cnccc1c2cc(cc(c2)[N+](=O)[O-])NCCCCCCN3CC(C(C(C3CO)O)O)O","InChI=1S/C23H32N4O6/c28-15-20-22(30)23(31)21(29)14-26(20)10-4-2-1-3-7-25-18-11-17(12-19(13-18)27(32)33)16-5-8-24-9-6-16/h5-6,8-9,11-13,20-23,25,28-31H,1-4,7,10,14-15H2/t20-,21+,22-,23-/m0/s1","","2022-08-18","2023-02-17","(2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol","2023-02-22"],["BHI","4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE","C5 H13 Br O8 P2","O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O;C[C](O)(CBr)CCO[P](O)(=O)O[P](O)(O)=O;CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O","InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m1/s1","","2002-11-12","2024-09-27","(3R)-4-bromo-3-hydroxy-3-methylbutyl trihydrogen diphosphate",""],["BHJ","{(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone","C37 H45 Cl N6 O4 S","C7N(CCCn5c6c(c(c1ccc(c(c1)C#Cc2ccc3c(c2)CNC(C3)C(N4CCCCC4)=O)Cl)n5)CN(CC6)S(C)(=O)=O)CCOC7;C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)c4ccc(Cl)c(c4)C#Cc5ccc6C[CH](NCc6c5)C(=O)N7CCCCC7;CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CNC(C6)C(=O)N7CCCCC7)Cl)C1","InChI=1S/C37H45ClN6O4S/c1-49(46,47)43-17-12-35-32(26-43)36(40-44(35)16-5-13-41-18-20-48-21-19-41)30-10-11-33(38)29(23-30)9-7-27-6-8-28-24-34(39-25-31(28)22-27)37(45)42-14-3-2-4-15-42/h6,8,10-11,22-23,34,39H,2-5,12-21,24-26H2,1H3/t34-/m0/s1","","2017-08-08","2017-12-15","{(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone","2017-12-20"],["UF7","7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C29 H28 N6","C3C(c1ccccc1)c2ccccc2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6;Nc1cc([CH](CCN[CH]2C[CH](c3ccccc3)c4ccccc24)c5ccccc5)c6nn[nH]c6n1;c1ccc(cc1)C2CC(c3c2cccc3)NCCC(c4ccccc4)c5cc(nc6c5nn[nH]6)N","InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1","","2020-05-14","2020-10-09","7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2020-10-14"],["BHK","(2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid","C12 H14 O4","O=C(CO)CC(C(=O)O)Cc1ccccc1;OCC(=O)C[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(CC(=O)CO)C(=O)O","InChI=1S/C12H14O4/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,15,16)/t10-/m1/s1","","2009-01-22","2011-06-04","(2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid",""],["UF8","2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one","C21 H17 N O3 S2","O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5;c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5","InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2","2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one","2021-02-12","2021-08-27","2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one","2021-09-01"],["BHL","6-BROMOHEXAN-1-OL","C6 H13 Br O","BrCCCCCCO;OCCCCCCBr;C(CCCBr)CCO","InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2","6-BROMOHEXANOL","2004-11-01","2021-03-01","6-bromohexan-1-ol",""],["UF9","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","C23 H25 N5 O5 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3ccccc3)c4c(N)ncnc24)C(O)=O;c1ccc(cc1)C#Cc2cn(c3c2c(ncn3)N)C4C(C(C(O4)CSCCC(C(=O)O)N)O)O","InChI=1S/C23H25N5O5S/c24-15(23(31)32)8-9-34-11-16-18(29)19(30)22(33-16)28-10-14(7-6-13-4-2-1-3-5-13)17-20(25)26-12-27-21(17)28/h1-5,10,12,15-16,18-19,22,29-30H,8-9,11,24H2,(H,31,32)(H2,25,26,27)/t15-,16+,18+,19+,22+/m0/s1","","2023-02-03","2023-03-31","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","2023-04-05"],["BHM","(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE","C11 H10 Br F3 N2 O4","O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(O)(C)CBr;C[C](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O;CC(CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O","InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1","","2005-09-14","2011-06-04","(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide",""],["UFA","7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C26 H30 N6","c1ccc(cc1)C(c3cc(nc2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5;Nc1cc([CH](CCN[CH]2CC[CH](CC2)c3ccccc3)c4ccccc4)c5nn[nH]c5n1;c1ccc(cc1)C2CCC(CC2)NCCC(c3ccccc3)c4cc(nc5c4nn[nH]5)N","InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19-,21-,22-/m1/s1","","2020-05-14","2020-10-09","7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2020-10-14"],["UFB","2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate)","C10 H14 F N2 O9 P","C1(C(F)C(O)C(O1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O;CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O;COC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O","InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10+/m1/s1","","2018-04-06","2018-08-24","[(2S,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","2018-08-29"],["BHN","2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid","C20 H24 N2 O6","O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O;OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2O;c1ccc(c(c1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(=O)O)O","InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)","N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid","2010-05-26","2020-06-17","2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name)",""],["BHO","BENZHYDROXAMIC ACID","C7 H7 N O2","O=C(NO)c1ccccc1;ONC(=O)c1ccccc1;c1ccc(cc1)C(=O)NO","InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)","","1999-07-08","2011-06-04","N-hydroxybenzamide",""],["UFD","7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","C28 H32 N6","c1cccc(c1)C(c3cc(nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6;Nc1cc([CH](CCNC23CCC(CC2)(CC3)c4ccccc4)c5ccccc5)c6nn[nH]c6n1;c1ccc(cc1)C(CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N","InChI=1S/C28H32N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-10,19,22,30H,11-18H2,(H3,29,31,32,33,34)/t22-,27-,28+/m1/s1","","2020-05-14","2020-10-09","7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine","2020-10-14"],["BHP","(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID","C31 H37 N O4","O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)Cc3ccc(OCc2ccccc2)cc3;OC(=O)CC[CH](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc3ccccc3;c1ccc(cc1)CCCCCCC(=O)NC(CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3","InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1","","2002-12-06","2011-06-04","(4S)-5-[4-(benzyloxy)phenyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid",""],["UFE","Fe(III) Uroporphyrin","C40 H36 Fe N4 O16","O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C=6C=C8C(=C(C7=CC1=N2[Fe](n34)(N5=6)N78)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O;OC(=O)CCC1=C(CC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C8CCC(O)=O)CC(O)=O)c(CC(O)=O)c7CCC(O)=O;C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C40H38N4O16.Fe/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29;/h13-16H,1-12H2,(H10,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2014-04-17","2014-07-25","{3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}iron","2014-07-30"],["UFF","FE(7)-S(7) CLUSTER","Fe7 S7","S1[Fe]S[Fe](S[Fe]1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3;S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58","InChI=1S/7Fe.HS.6S/h;;;;;;;1H;;;;;;","","2022-08-18","2022-12-09","","2022-12-14"],["BHQ","2,5-DITERT-BUTYLBENZENE-1,4-DIOL","C14 H22 O2","Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C;CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C;CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O","InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3","2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE","2005-07-29","2021-03-13","2,5-di-tert-butylbenzene-1,4-diol",""],["UFG","URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE","C15 H23 F N2 O16 P2","O=P(OC1OC(C(F)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1F;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)F)O)O)O)O","InChI=1S/C15H23FN2O16P2/c16-8-5(3-19)32-14(12(24)10(8)22)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["BHR","2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid","C20 H24 N2 O7","O=C(O)CN(Cc1cccc(O)c1O)CCN(Cc2ccccc2O)CC(=O)O;OC(=O)CN(CCN(CC(O)=O)Cc1cccc(O)c1O)Cc2ccccc2O;c1ccc(c(c1)CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O","InChI=1S/C20H24N2O7/c23-16-6-2-1-4-14(16)10-21(12-18(25)26)8-9-22(13-19(27)28)11-15-5-3-7-17(24)20(15)29/h1-7,23-24,29H,8-13H2,(H,25,26)(H,27,28)","","2010-05-26","2011-06-04","[{2-[(carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid (non-preferred name)",""],["BHS","6S-5,6,7,8-TETRAHYDROBIOPTERIN","C9 H15 N5 O3","O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C;C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N;CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O","InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1","","1999-12-16","2011-06-04","(6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one",""],["UFH","2-bromanyl-4-imidazol-1-yl-benzaldehyde","C10 H7 Br N2 O","Brc1cc(ccc1C=O)n2ccnc2;c1cc(c(cc1n2ccnc2)Br)C=O","InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H","","2021-02-12","2024-09-27","2-bromanyl-4-imidazol-1-yl-benzaldehyde","2021-06-16"],["UFI","6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione","C13 H9 N O4","COc1ccc2C(=O)N(O)C(=O)c3cccc1c23;COc1ccc2c3c1cccc3C(=O)N(C2=O)O","InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3","","2023-02-03","2024-02-16","6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione","2024-02-21"],["BHT","N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM","C37 H30 N3 O9 S3","O=S(=O)(O)c1cccc(c1)Nc2ccc(cc2)C(=C4/C=C/C(=[NH+]c3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c5)S(=O)(=O)O)cc6;O[S](=O)(=O)c1ccc(cc1)[NH+]=C2C=CC(C=C2)=C(c3ccc(Nc4cccc(c4)[S](O)(=O)=O)cc3)c5ccc(Nc6cccc(c6)[S](O)(=O)=O)cc5;c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O","InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)/p+1","BLUE HT","2005-06-03","2021-03-01","N-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]-4-sulfoanilinium",""],["BHU","[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid","C5 H12 B N O3 S","C[CH](CS)C(=O)NCB(O)O;B(CNC(=O)C(C)CS)(O)O","InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1","(S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid","2019-02-01","2021-03-01","[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid","2019-07-17"],["UFJ","N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide","C14 H19 I N2 O3","c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I;ONC(=O)CCCCCCC(=O)Nc1ccc(I)cc1;c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I","InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)","","2020-05-14","2020-08-28","N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide","2020-09-02"],["BHV","tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate","C38 H53 F3 N6 O5","C(NC(C=C(/C)C)=O)c1cc(ccc1C(F)(F)F)c3c4c(n(CCCN2CCOCC2)n3)CCN(C4)C(=O)CC5CCN(CC5)C(OC(C)(C)C)=O;CC(C)=CC(=O)NCc1cc(ccc1C(F)(F)F)c2nn(CCCN3CCOCC3)c4CCN(Cc24)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C;CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C","InChI=1S/C38H53F3N6O5/c1-26(2)21-33(48)42-24-29-23-28(7-8-31(29)38(39,40)41)35-30-25-46(16-11-32(30)47(43-35)13-6-12-44-17-19-51-20-18-44)34(49)22-27-9-14-45(15-10-27)36(50)52-37(3,4)5/h7-8,21,23,27H,6,9-20,22,24-25H2,1-5H3,(H,42,48)","","2017-08-08","2017-12-15","tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate","2017-12-20"],["UFK","Cinnamtannin B1","C45 H36 O18","O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](Oc4c3c(O)cc5O[C]6(Oc7cc(O)cc(O)c7[CH]([CH]6O)c45)c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c%10ccc(O)c(O)c%10;c1cc(c(cc1C2C(Cc3c(cc(c(c3O2)C4c5c(cc6c(c5OC(C4O)c7ccc(c(c7)O)O)C8c9c(cc(cc9OC(C8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O","InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1","(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol","2021-02-12","2021-08-13","","2021-08-18"],["BHW","Coumermycin A1","C55 H59 N5 O20","CO[CH]1[CH](OC(=O)c2[nH]c(C)cc2)[CH](O)[CH](Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(=O)NC6=C(O)c7ccc(O[CH]8OC(C)(C)[CH](OC)[CH](OC(=O)c9[nH]c(C)cc9)[CH]8O)c(C)c7OC6=O)c5C)C(=O)Oc4c3C)O)OC1(C)C;Cc1ccc([nH]1)C(=O)OC2C(C(OC(C2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O","InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1","","2017-10-04","2019-04-05","[(3~{R},4~{S},5~{R},6~{R})-3-methoxy-6-[3-[[5-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-methoxy-6,6-dimethyl-4-[(5-methyl-1~{H}-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-4-oxidanyl-2-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1~{H}-pyrrol-3-yl]carbonylamino]-8-methyl-4-oxidanyl-2-oxidanylidene-chromen-7-yl]oxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] 5-methyl-1~{H}-pyrrole-2-carboxylate","2019-04-10"],["UFM","URIDINE-5'-DIPHOSPHATE-MANNOSE","C15 H24 N2 O17 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12+,13-,14-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["BHX","(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid","C9 H15 O8 P","O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O;OC(=O)CC[CH](C[P](O)(=O)CCC(O)=O)C(O)=O;C(CC(=O)O)C(CP(=O)(CCC(=O)O)O)C(=O)O","InChI=1S/C9H15O8P/c10-7(11)2-1-6(9(14)15)5-18(16,17)4-3-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t6-/m1/s1","","2007-11-30","2011-06-04","(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid",""],["UFN","Modified form of Cinnamtannin B1 with sp3 hybridized C5'","C45 H38 O18","O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](OC4=C3[CH](O)CC5=C4[CH]6[CH](O)[C](O5)(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c%10ccc(O)c(O)c%10;c1cc(c(cc1C2C(Cc3c(cc(c(c3O2)C4C(C(OC5=C4C(CC6=C5C7c8c(cc(cc8OC(C7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O","InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13,29-30,37-41,44,46-59H,12,14H2/t29-,30+,37-,38+,39+,40+,41+,44+,45-/m0/s1","Cca6","2021-02-12","2021-08-13","","2021-08-18"],["UFO","1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine","C11 H17 N3","c2c(cc1c(N(CCN1C)C)c2)CN;CN1CCN(C)c2cc(CN)ccc12;CN1CCN(c2c1ccc(c2)CN)C","InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3","","2009-03-26","2011-06-04","1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine",""],["BHY","N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide","C20 H28 N2 O4 S2","O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C;C[CH](CN[S](C)(=O)=O)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S](C)(=O)=O;CC(CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)C(C)CNS(=O)(=O)C","InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1","(R,R)-N,N-(2,2'-(biphenyl-4-4'-diyl)bis(propane-2,1-diyl))dimethanesulfonamide","2007-11-12","2021-03-13","N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide",""],["BHZ","2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid","C20 H24 N2 O5","O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(=O)O;OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2;c1ccc(cc1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(=O)O","InChI=1S/C20H24N2O5/c23-18-9-5-4-8-17(18)13-22(15-20(26)27)11-10-21(14-19(24)25)12-16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,25)(H,26,27)","","2010-05-20","2011-06-04","[{2-[benzyl(carboxymethyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid (non-preferred name)",""],["UFP","5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C9 H12 F N2 O8 P","FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(F)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O","InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","1999-07-08","2024-09-27","2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)",""],["BI1","3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","C25 H24 N4 O2","O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5;CN(C)CCCn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45;CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5","InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)","RBT205 INHIBITOR","2003-12-16","2020-06-17","3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["UFQ","Cytosine 5'-[gamma-thio]triphosphate","C9 H16 N3 O13 P3 S","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O","InChI=1S/C9H16N3O13P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H2,10,11,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1","[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid","2021-02-13","2021-09-03","[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid","2021-09-08"],["BI2","3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","C27 H26 N4 O2","O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)c4c6ccccc6n(c4)CCC5N(C)CCC5;CN1CCC[CH]1CCn2cc(c3ccccc23)C4=C(C(=O)NC4=O)c5c[nH]c6ccccc56;CN1CCCC1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6","InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)/t17-/m1/s1","","2003-12-16","2011-06-04","3-(1H-indol-3-yl)-4-(1-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["UFR","2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE)","C10 H13 N2 O9 P","O=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=O)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O","InChI=1S/C10H13N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2-3,6-8,14H,1,4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1","","2006-10-19","2011-06-04","2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)",""],["BI3","3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","C23 H20 N4 O2","O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5;NCCCn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN","InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)","INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1","2003-12-16","2020-06-17","3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["UFS","N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide","C27 H31 N3 O5","c1cc(NC(CCCCCCC(NO)=O)=O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O;ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=O)CCCC#C)cc2;C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO","InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33)","","2020-05-14","2020-08-28","N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide","2020-09-02"],["UFT","2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)","C9 H12 F N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O;O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2008-07-07","2024-09-27","2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)",""],["BI4","3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE","C27 H26 N4 O2","O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)c4c6ccccc6n(c4)CCC5N(C)CCC5;CN1CCC[CH]1CCn2cc(c3ccccc23)C4=C(C(=O)NC4=O)c5c[nH]c6ccccc56;CN1CCCC1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6","InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)/t17-/m0/s1","","2004-04-26","2011-06-04","3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["UFU","cobalt Streptavidin","C41 H50 Co N6 O5 S","CC(C)(C)C1=CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O)NCCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)C1=O;CC(C)(C)c1cccc2c1O[Co]34=[N](C=C5C=CC=C(C5=O3)C(C)(C)C)c6cc(ccc6[N]4=C2)C(=O)NCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8","InChI=1S/C41H52N6O5S.Co/c1-40(2,3)28-13-9-11-26(36(28)49)22-44-30-18-17-25(21-31(30)45-23-27-12-10-14-29(37(27)50)41(4,5)6)38(51)43-20-19-42-34(48)16-8-7-15-33-35-32(24-53-33)46-39(52)47-35;/h9-14,17-18,21-23,32-33,35H,7-8,15-16,19-20,24H2,1-6H3,(H6,42,43,44,45,46,47,48,49,50,51,52);/q;+2/p-2/t32-,33-,35-;/m0./s1","","2023-09-05","2024-07-26","","2024-07-31"],["BI5","4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE","C19 H16 N2 O2","O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3;O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2;c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3","InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)","","2005-06-14","2011-06-04","4-phenoxy-N-(pyridin-2-ylmethyl)benzamide",""],["BI6","(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE","C29 H34 N4 O3","O=C(NC1C=CCCC4N(C1=O)C(C(=O)NC(c2ccccc2)c3ccccc3)CC4)C(/N=C)CC;CC[CH](N=C)C(=O)N[CH]1C=CCC[CH]2CC[CH](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4;CCC(C(=O)NC1C=CCCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C","InChI=1S/C29H34N4O3/c1-3-23(30-2)27(34)31-24-17-11-10-16-22-18-19-25(33(22)29(24)36)28(35)32-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,11-15,17,22-26H,2-3,10,16,18-19H2,1H3,(H,31,34)(H,32,35)/t22-,23-,24-,25-/m0/s1","","2008-08-21","2011-06-04","(3S,6S,7Z,10aS)-N-(diphenylmethyl)-6-{[(2S)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide",""],["UFV","3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE","C7 H6 Br F3 N2","Nc1cc(cc(Br)c1N)C(F)(F)F;c1c(cc(c(c1N)N)Br)C(F)(F)F","InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2","","2015-09-10","2015-12-11","3-bromanyl-5-(trifluoromethyl)benzene-1,2-diamine","2015-12-16"],["UFW"," ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold","C32 H43 Au N5 O2 S","Cc1cc(C)c(N2C[CH](CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)N(C2=[Au])c5c(C)cc(C)cc5C)c(C)c1;Cc1cc(c(c(c1)C)N2CC(N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCCC4C5C(CS4)NC(=O)N5)C","InChI=1S/C32H43N5O2S.Au/c1-19-11-21(3)30(22(4)12-19)36-16-25(37(18-36)31-23(5)13-20(2)14-24(31)6)15-33-28(38)10-8-7-9-27-29-26(17-40-27)34-32(39)35-29;/h11-14,25-27,29H,7-10,15-17H2,1-6H3,(H,33,38)(H2,34,35,39);/t25-,26-,27-,29-;/m0./s1","[(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold;  [(4S)-4-[[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold","2021-02-14","2021-07-09","[(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold","2021-07-14"],["BI7","3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium","C22 H28 Cl N4 O3 S","C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4cc(on4)c5sc(Cl)cc5;C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4cc(on4)c5ccc(s5)Cl","InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)18-14-6-4-9-25(14)20(19(18)22(26)29)13-12-15(30-24-13)16-7-8-17(23)31-16/h7-8,12,14,18-20H,4-6,9-11H2,1-3H3/q+1/t14-,18-,19-,20-/m0/s1","","2008-08-28","2019-10-18","3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium",""],["BI8","3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","C24 H22 N4 O2","O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5;Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCN)c5ccccc45;Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN","InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)","","2004-01-22","2011-06-04","3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["UFX","4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide","C19 H18 F2 N2 O4","FC(F)C(C)(O)C(NC(=O)c1ccc(cc1)C#CC#CC1CC1)C(=O)NO;C[C](O)(C(F)F)[CH](NC(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CC2CC2)(C(F)F)O","InChI=1S/C19H18F2N2O4/c1-19(26,18(20)21)15(17(25)23-27)22-16(24)14-10-8-13(9-11-14)5-3-2-4-12-6-7-12/h8-12,15,18,26-27H,6-7H2,1H3,(H,22,24)(H,23,25)/t15-,19+/m1/s1","","2022-08-18","2023-08-18","4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide","2023-08-23"],["BI9","2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE","C23 H25 Cl N6 O3","O=C(NC)c1ccccc1Nc2nc(ncc2Cl)Nc4c(OC)cc(N3CCOCC3)cc4;CNC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3OC)N4CCOCC4)ncc2Cl;CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl","InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)","","2008-08-28","2011-06-04","2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-N-methylbenzamide",""],["UFY","N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide","C19 H25 B N4 O4","c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O;CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)O","InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1","","2020-05-15","2024-09-27","N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide","2021-04-14"],["BIA","1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE","C20 H20 F3 N3 O5","[O-][N+](=O)c3c(O)c(O)cc(C(=O)CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3;Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)CCN2CCN(CC2)c3cccc(c3)C(F)(F)F;c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F","InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2","BIA 3-335","2002-07-12","2021-03-01","1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one",""],["UFZ","(phenylmethyl)azanium","C7 H10 N","[NH3+]Cc1ccccc1;c1ccc(cc1)C[NH3+]","InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1","","2016-12-21","2018-02-23","(phenylmethyl)azanium","2018-02-28"],["BIB","BETA-AMINO ISOBUTYRATE","C4 H8 N O2","[O-]C(=O)C(C)CN;C[CH](CN)C([O-])=O;CC(CN)C(=O)[O-]","InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1","","2003-10-17","2011-06-04","(2S)-3-amino-2-methylpropanoate",""],["UG0","6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide","C14 H13 F N2 O","Cc1ccc(CNC(=O)c2ccc(F)nc2)cc1;Cc1ccc(cc1)CNC(=O)c2ccc(nc2)F","InChI=1S/C14H13FN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-13(15)16-9-12/h2-7,9H,8H2,1H3,(H,17,18)","","2023-02-03","2024-02-16","6-fluoranyl-~{N}-[(4-methylphenyl)methyl]pyridine-3-carboxamide","2024-02-21"],["UG1","5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide","C9 H9 N5 O","C(c1ncn(c1N)c2ccncc2)(N)=O;NC(=O)c1ncn(c2ccncc2)c1N;c1cnccc1n2cnc(c2N)C(=O)N","InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15)","","2020-05-15","2021-03-19","5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide","2021-03-24"],["BIC","3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE","C15 H19 N3 O2","O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3;N[C]1(CCN2CC[CH](C=O)N2C1=O)Cc3ccccc3;c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C=O)N","InChI=1S/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1","","1999-07-08","2011-06-04","(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde",""],["BID","BISTRAMIDE A","C40 H68 N2 O8","O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C(=O)NCCCC3OC2(OC(CCC2)CCC(C=C(/C)C(O)C)C)CCC3C)C;CC=CC(=O)C[CH]1CC[CH](C)[CH](CC(=O)NC[CH](O)[CH](C)C(=O)NCCC[CH]2O[C]3(CCC[CH](CC[CH](C)C=C(C)[CH](C)O)O3)CC[CH]2C)O1;CC=CC(=O)CC1CCC(C(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)C=C(C)C(C)O)C)O)C","InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1","(2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]U\nNDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BU\nTANAMIDE","2006-02-09","2020-06-17","(2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamide",""],["UG2","[4-(2-phenylimidazol-1-yl)phenyl]methanol","C16 H14 N2 O","OCc1ccc(cc1)n2ccnc2c3ccccc3;c1ccc(cc1)c2nccn2c3ccc(cc3)CO","InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2","","2021-02-16","2024-09-27","[4-(2-phenylimidazol-1-yl)phenyl]methanol","2021-06-16"],["BIE","(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE","C13 H9 N O5","[O-][N+](=O)c2c(C(=O)c1ccccc1)ccc(O)c2O;Oc1ccc(C(=O)c2ccccc2)c(c1O)[N+]([O-])=O;c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O","InChI=1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H","BIA 3-335","2006-04-26","2021-03-01","(3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone",""],["UG3","bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate","H7 O16 P5","O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O;OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/H7O16P5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)","","2023-05-29","2024-05-10","bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate","2024-05-15"],["UG4","5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide","C9 H9 N5 O","c1(cccnc1)n2c(c(nc2)C(N)=O)N;NC(=O)c1ncn(c2cccnc2)c1N;c1cc(cnc1)n2cnc(c2N)C(=O)N","InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15)","","2020-05-16","2021-03-19","5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide","2021-03-24"],["BIF","(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID","C15 H15 N O2","O=C(O)C(N)Cc1ccc(cc1)c2ccccc2;N[CH](Cc1ccc(cc1)c2ccccc2)C(O)=O;c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)N","InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1","BIPHENYLALANINE","2005-03-29","2024-09-27","(2S)-2-amino-3-biphenyl-4-ylpropanoic acid (non-preferred name)",""],["BIG","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol","C16 H25 N5 O S","S(CCCC)CC3CN(Cc2cnc1c2ncnc1N)CC3O;CCCCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23;CCCCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1","butylthio-DADMe-Immucillin A","2008-07-10","2021-03-01","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol",""],["UG5","4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde","C11 H7 F3 N2 O","FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2;c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F","InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H","","2021-02-16","2024-09-27","4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde","2021-06-16"],["BIH","NAPHTHALENE-2,6-DISULFONIC ACID","C10 H8 O6 S2","O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O;O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O;c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)","2,6-NAPHTHALENEDISULFONIC ACID; 2,6-NAPHTHALENEDISULPHONIC ACID","2004-08-11","2020-06-17","naphthalene-2,6-disulfonic acid",""],["UG6","methyl N-acetyl-L-cysteinate","C6 H11 N O3 S","COC(=O)C(NC(=O)C)CS;COC(=O)[CH](CS)NC(C)=O;CC(=O)NC(CS)C(=O)OC","InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11)6(9)10-2/h5,11H,3H2,1-2H3,(H,7,8)/t5-/m0/s1","","2022-08-18","2023-08-18","methyl N-acetyl-L-cysteinate","2023-08-23"],["BII","2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE","C25 H32 Cl N7 O3 S","O=S(=O)(NC(C)C)c1ccccc1Nc2nc(ncc2Cl)/N=C3/C(OC)=CC(C=C3)N4CCC(NC)C4;CN[CH]1CCN(C1)[CH]2C=CC(=Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)NC(C)C)n3)C(=C2)OC;CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CCC(C4)NC)Cl","InChI=1S/C25H32ClN7O3S/c1-16(2)32-37(34,35)23-8-6-5-7-21(23)29-24-19(26)14-28-25(31-24)30-20-10-9-18(13-22(20)36-4)33-12-11-17(15-33)27-3/h5-10,13-14,16-18,27,32H,11-12,15H2,1-4H3,(H,28,29,31)/b30-20+/t17-,18?/m1/s1","","2008-08-28","2011-06-04","2-{[5-chloro-2-({(1E,4R)-2-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-N-(1-methylethyl)benzenesulfonamide",""],["UG7","N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide","C26 H28 F3 N5 O3 S2","c1cc(cc(c1)c5c2c(cc(cc2)CNC(C3CNC3)=O)n(C4CCN(CC4)S(C(F)(F)F)(=O)=O)c5)C(N)=S;NC(=S)c1cccc(c1)c2cn(C3CCN(CC3)[S](=O)(=O)C(F)(F)F)c4cc(CNC(=O)C5CNC5)ccc24;c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F","InChI=1S/C26H28F3N5O3S2/c27-26(28,29)39(36,37)33-8-6-20(7-9-33)34-15-22(17-2-1-3-18(11-17)24(30)38)21-5-4-16(10-23(21)34)12-32-25(35)19-13-31-14-19/h1-5,10-11,15,19-20,31H,6-9,12-14H2,(H2,30,38)(H,32,35)","","2020-05-17","2021-04-02","N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide","2021-04-07"],["BIJ","7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE","C25 H28 Cl N7 O2","O=C2N(C)Cc1cccc(c12)NC3=NC(N=CC3Cl)=N/c4ccc(cc4OC)N5CCN(C)CC5;COc1cc(ccc1N=C2N=C[CH](Cl)C(=N2)Nc3cccc4CN(C)C(=O)c34)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(c(c2)OC)N=C3N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl","InChI=1S/C25H28ClN7O2/c1-31-9-11-33(12-10-31)17-7-8-19(21(13-17)35-3)29-25-27-14-18(26)23(30-25)28-20-6-4-5-16-15-32(2)24(34)22(16)20/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,28,29,30)/t18-/m0/s1","","2008-08-28","2011-06-04","7-{[(2Z,5S)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1H-isoindol-1-one",""],["UG8","4-piperidin-1-ylsulfonylbenzaldehyde","C12 H15 N O3 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2;c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2","InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2","","2021-02-16","2024-09-27","4-piperidin-1-ylsulfonylbenzaldehyde","2021-06-09"],["BIK","3,7-DIHYDROXY-2-NAPHTHOIC ACID","C11 H8 O4","O=C(O)c2cc1c(ccc(O)c1)cc2O;OC(=O)c1cc2cc(O)ccc2cc1O;c1cc(cc2c1cc(c(c2)C(=O)O)O)O","InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)","3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID","2004-08-11","2020-06-17","3,7-dihydroxynaphthalene-2-carboxylic acid",""],["UG9","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","C15 H20 I N5 O5 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(I)c3c(N)ncnc23)C(O)=O;c1c(c2c(ncnc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)I","InChI=1S/C15H20IN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1","","2023-02-03","2023-03-31","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","2023-04-05"],["BIL","(3R,4S)-3-amino-4-methylhexanoic acid","C7 H15 N O2","O=C(O)CC(N)C(CC)C;CC[CH](C)[CH](N)CC(O)=O;CCC(C)C(CC(=O)O)N","InChI=1S/C7H15NO2/c1-3-5(2)6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m0/s1","(R,S)-beta-3-homoisoleucine","2008-02-05","2024-09-27","(3R,4S)-3-amino-4-methylhexanoic acid",""],["UGA","URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID","C15 H22 N2 O18 P2","O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O","InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1","UDP-GLUCURONIC ACID","1999-12-13","2021-03-01","(2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["BIM","BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE","C34 H33 N5 O2","O=C6C=5c2c1ccccc1n(c2)CCCCc3c(nc(cc3)CCCn7c4ccccc4c(C=5C(=O)N6)c7)N(C)C;CN(C)c1nc2CCCn3cc(c4ccccc34)C5=C(C(=O)NC5=O)c6cn(CCCCc1cc2)c7ccccc67;CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O","InChI=1S/C34H33N5O2/c1-37(2)32-22-10-7-8-18-38-20-26(24-12-3-5-14-28(24)38)30-31(34(41)36-33(30)40)27-21-39(29-15-6-4-13-25(27)29)19-9-11-23(35-32)17-16-22/h3-6,12-17,20-21H,7-11,18-19H2,1-2H3,(H,36,40,41)","","2007-04-13","2011-06-04","31-(dimethylamino)-5,15,25,32-tetraazaheptacyclo[28.2.2.1~5,12~.1~18,25~.0~6,11~.0~13,17~.0~19,24~]hexatriaconta-1(32),6,8,10,12(36),13(17),18(35),19,21,23,30,33-dodecaene-14,16-dione (non-preferred name)",""],["UGB","(2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid","C15 H22 N2 O18 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3O)O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O","InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12-,14-/m1/s1","","2010-08-24","2011-06-04","(2S,3R,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid",""],["UGC","(2S)-(carbamoylamino)(hydroxy)ethanoic acid","C3 H6 N2 O4","O=C(O)C(O)NC(=O)N;NC(=O)N[CH](O)C(O)=O;C(C(=O)O)(NC(=O)N)O","InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1","(S)-Ureidoglycolate","2014-04-09","2021-03-01","(2S)-(carbamoylamino)(hydroxy)ethanoic acid","2014-07-23"],["BIN","2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM","C20 H21 Cl N O6","O=C(OC(C)C)c1c(c(c([n+](c1C)CC)C(=O)O)C(=O)O)c2ccccc2Cl;CC[n+]1c(C)c(C(=O)OC(C)C)c(c2ccccc2Cl)c(C(O)=O)c1C(O)=O;CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C","InChI=1S/C20H20ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10H,5H2,1-4H3,(H-,23,24,25,26)/p+1","","1999-07-08","2011-06-04","2,3-dicarboxy-4-(2-chlorophenyl)-1-ethyl-6-methyl-5-[(1-methylethoxy)carbonyl]pyridinium",""],["UGD","N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide","C15 H14 N4 O3","n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O;O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2;c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3","InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1","","2020-05-18","2020-05-22","N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide","2020-05-27"],["BIO","BIOPTERIN","C9 H11 N5 O3","O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C;C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1;CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O","InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1","","1999-07-08","2011-06-04","2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]pteridin-4(3H)-one",""],["BIP","2-BENZYL-3-IODOPROPANOIC ACID","C10 H11 I O2","O=C(O)C(CI)Cc1ccccc1;OC(=O)[CH](CI)Cc1ccccc1;c1ccc(cc1)CC(CI)C(=O)O","InChI=1S/C10H11IO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1","","1999-07-08","2024-09-27","(2R)-2-benzyl-3-iodopropanoic acid",""],["UGE","4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde","C16 H15 N O3 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23;c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2","","2021-02-16","2024-09-27","4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde","2021-06-09"],["UGF","(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany\nl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C15 H21 F N2 O17 P2","O[CH]1[CH](O)[CH](O[CH]([CH]1F)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)F)O)O)O)O","InChI=1S/C15H21FN2O17P2/c16-6-8(21)10(23)14(33-11(6)13(24)25)34-37(29,30)35-36(27,28)31-3-4-7(20)9(22)12(32-4)18-2-1-5(19)17-15(18)26/h1-2,4,6-12,14,20-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,17,19,26)/t4-,6+,7-,8+,9-,10-,11+,12-,14-/m1/s1","UDP-4-Deoxy-4-Fluoro-Glucuronic acid","2020-06-01","2020-07-24","(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2020-07-29"],["BIQ","BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE","C33 H36 N6 O9","[O-][N+](=O)c4ccc3cc4Oc1ccc(cc1)CC(C(=O)NCCC)NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)C3)CC(=O)N;CCCNC(=O)[CH]1Cc2ccc(Oc3cc(C[CH](NC(=O)OCc4ccccc4)C(=O)N[CH](CC(N)=O)C(=O)N1)ccc3[N+]([O-])=O)cc2;CCCNC(=O)C1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])CC(C(=O)NC(C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4","InChI=1S/C33H36N6O9/c1-2-14-35-30(41)24-15-20-8-11-23(12-9-20)48-28-17-22(10-13-27(28)39(45)46)16-25(31(42)37-26(18-29(34)40)32(43)36-24)38-33(44)47-19-21-6-4-3-5-7-21/h3-13,17,24-26H,2,14-16,18-19H2,1H3,(H2,34,40)(H,35,41)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-/m0/s1","","2006-04-25","2011-06-04","benzyl [(9S,12S,15S)-12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-(propylcarbamoyl)-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate",""],["BIR","N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE","C21 H27 N2 O5 P","O=C(O)C(NC(=O)C(CP(=O)(O)C(N)C)Cc1ccc(cc1)c2ccccc2)C;C[CH](N)[P](O)(=O)C[CH](Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](C)C(O)=O;CC(C(=O)O)NC(=O)C(Cc1ccc(cc1)c2ccccc2)CP(=O)(C(C)N)O","InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1","","2003-11-06","2011-06-04","N-[(2S)-3-[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-(biphenyl-4-ylmethyl)propanoyl]-L-alanine",""],["UGG","2-(isoquinolin-4-yl)-N-phenylacetamide","C17 H14 N2 O","N(c1ccccc1)C(=O)Cc2c3c(cnc2)cccc3;O=C(Cc1cncc2ccccc12)Nc3ccccc3;c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3","InChI=1S/C17H14N2O/c20-17(19-15-7-2-1-3-8-15)10-14-12-18-11-13-6-4-5-9-16(13)14/h1-9,11-12H,10H2,(H,19,20)","","2020-05-18","2020-05-22","2-(isoquinolin-4-yl)-N-phenylacetamide","2020-05-27"],["BIS","1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER","C15 H22 F4 N5 O12 P3","FC(F)(P(=O)(O)O)CCCC(F)(F)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)CCCC(F)(F)[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N","InChI=1S/C15H22F4N5O12P3/c16-14(17,37(27,28)29)2-1-3-15(18,19)38(30,31)36-39(32,33)34-4-7-9(25)10(26)13(35-7)24-6-23-8-11(20)21-5-22-12(8)24/h5-7,9-10,13,25-26H,1-4H2,(H,30,31)(H,32,33)(H2,20,21,22)(H2,27,28,29)/t7-,9-,10-,13-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(R)-hydroxy{[(R)-hydroxy(1,1,5,5-tetrafluoro-5-phosphonopentyl)phosphoryl]oxy}phosphoryl]adenosine",""],["UGH","WR-1065","C5 H14 N2 S","NCCCNCCS;C(CN)CNCCS","InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2","","2021-02-16","2021-11-26","2-(3-azanylpropylamino)ethanethiol","2021-12-01"],["BIT","(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE","C18 H16 N2 O2","O=C2c4c(N=C3N(c1ccccc1)CCC23O)ccc(c4)C;Cc1ccc2N=C3N(CC[C]3(O)C(=O)c2c1)c4ccccc4;Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O","InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1","(S)-BLEBBISTATIN; (3AS)-3A-HYDROXY-6-METHYL-1-PHENYL-3,3A-DIHYDRO-1H-PYRROLO[2,3-B]QUINOLIN-4(2H)-ONE","2005-02-25","2020-05-26","(3aS)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",""],["UGI","5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine","C18 H21 F3 N6 O","Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F;c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F","InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-5-7-28-8-6-26)25-17(24-14)27-3-1-2-4-27/h9-11H,1-8H2,(H2,22,23)","","2016-10-31","2017-03-17","5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine","2017-03-22"],["BIU","5-bromo-L-isoleucine","C6 H12 Br N O2","BrCCC(C(N)C(=O)O)C;C[CH](CCBr)[CH](N)C(O)=O;CC(CCBr)C(C(=O)O)N","InChI=1S/C6H12BrNO2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1","","2008-09-08","2024-09-27","5-bromo-L-isoleucine",""],["UGJ","3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile","C15 H8 Cl N5 S","Clc3ccccc3c1c(C#N)c(nc2sc(C#N)c(c12)N)N;Nc1nc2sc(C#N)c(N)c2c(c3ccccc3Cl)c1C#N;c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl","InChI=1S/C15H8ClN5S/c16-9-4-2-1-3-7(9)11-8(5-17)14(20)21-15-12(11)13(19)10(6-18)22-15/h1-4H,19H2,(H2,20,21)","","2012-11-27","2014-09-05","3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile","2012-12-21"],["UGK","8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one","C23 H21 F N6 O3","COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C;Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC","InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3","","2021-02-16","2021-08-27","8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one","2021-09-01"],["BIV","21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E)","C32 H54 O4","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(CCCC(O)(C)C)CCCC(O)(C)C)CCC12)CC(O)C3;CC(C)(O)CCCC(CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C(CCCC(C)(C)O)CCCC(C)(C)O","InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28+,29+,32-/m1/s1","GEMINI","2006-06-20","2021-03-01","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-methylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["BIW","1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid","C27 H30 N2 O6","O=C(O)C5CCN(C(=O)Cn2c1c(ccc(C(=O)O)c1)c(c2c3ccoc3)C4CCCCC4)CC5;OC(=O)C1CCN(CC1)C(=O)Cn2c3cc(ccc3c(C4CCCCC4)c2c5cocc5)C(O)=O;c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O","InChI=1S/C27H30N2O6/c30-23(28-11-8-18(9-12-28)26(31)32)15-29-22-14-19(27(33)34)6-7-21(22)24(17-4-2-1-3-5-17)25(29)20-10-13-35-16-20/h6-7,10,13-14,16-18H,1-5,8-9,11-12,15H2,(H,31,32)(H,33,34)","","2010-05-07","2011-06-04","1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid",""],["UGL","(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid","C9 H13 N3 O3","C[CH](CCC(O)=O)NC(=O)c1cc[nH]n1;CC(CCC(=O)O)NC(=O)c1cc[nH]n1","InChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)11-9(15)7-4-5-10-12-7/h4-6H,2-3H2,1H3,(H,10,12)(H,11,15)(H,13,14)/t6-/m1/s1","","2023-09-05","2024-01-05","(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid","2024-01-10"],["BIX","(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid","C10 H18 N O8 P","O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(C(=O)O)N;N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(CP(=O)(CCC(C(=O)O)N)O)C(=O)O","InChI=1S/C10H18NO8P/c11-7(10(16)17)3-4-20(18,19)5-6(9(14)15)1-2-8(12)13/h6-7H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7+/m1/s1","","2007-11-30","2024-09-27","(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid",""],["UGM","2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide","C13 H10 N4 O","N#Cc1cncc(c1)CC(=O)Nc2cccnc2;O=C(Cc1cncc(c1)C#N)Nc2cccnc2;c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N","InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18)","","2020-05-18","2020-05-22","2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide","2020-05-27"],["BIY","(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid","C8 H11 N O4 S","O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1;CC1(C)SC(=CN[CH]1C(O)=O)C(O)=O;CC1(C(NC=C(S1)C(=O)O)C(=O)O)C","InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1","","2009-06-04","2024-09-27","(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid",""],["UGN","1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine","C15 H24 N2 O2 S","CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2;Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C","InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3","","2021-02-17","2024-09-27","1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine","2021-06-09"],["BIZ","BIZELESIN","C43 H38 N8 O5","O=C(N3c2cc(O)c1c(c(cn1)C)c2C(C)C3)c5cc4cc(ccc4n5)NC(=O)Nc6cc7cc(nc7cc6)C(=O)N%10c9cc(O)c8c(c(cn8)C)c9C(C)C%10;C[CH]1CN(C(=O)c2[nH]c3ccc(NC(=O)Nc4ccc5[nH]c(cc5c4)C(=O)N6C[CH](C)c7c6cc(O)c8[nH]cc(C)c78)cc3c2)c9cc(O)c%10[nH]cc(C)c%10c19;Cc1c[nH]c2c1c3c(cc2O)N(CC3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8CC(c9c8cc(c1c9c(c[nH]1)C)O)C","InChI=1S/C43H38N8O5/c1-19-15-44-39-33(52)13-31-35(37(19)39)21(3)17-50(31)41(54)29-11-23-9-25(5-7-27(23)48-29)46-43(56)47-26-6-8-28-24(10-26)12-30(49-28)42(55)51-18-22(4)36-32(51)14-34(53)40-38(36)20(2)16-45-40/h5-16,21-22,44-45,48-49,52-53H,17-18H2,1-4H3,(H2,46,47,56)/t21-,22-/m1/s1","","1999-07-08","2011-06-04","1,3-bis(2-{[(1S)-5-hydroxy-1,8-dimethyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)urea",""],["UGO","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol","C22 H31 N5 O6","[O-][N+](=O)c1cc(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)c3ncccn3;c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN3CC(C(C(C3CO)O)O)O","InChI=1S/C22H31N5O6/c28-14-18-20(30)21(31)19(29)13-26(18)11-4-2-1-3-8-23-16-7-6-15(12-17(16)27(32)33)22-24-9-5-10-25-22/h5-7,9-10,12,18-21,23,28-31H,1-4,8,11,13-14H2/t18-,19+,20-,21-/m1/s1","","2022-08-18","2026-04-06","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol","2023-02-22"],["UGP","2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide","C15 H13 N3 O","N(C(Cc1cccc(C#N)c1)=O)c2cnccc2C;Cc1ccncc1NC(=O)Cc2cccc(c2)C#N;Cc1ccncc1NC(=O)Cc2cccc(c2)C#N","InChI=1S/C15H13N3O/c1-11-5-6-17-10-14(11)18-15(19)8-12-3-2-4-13(7-12)9-16/h2-7,10H,8H2,1H3,(H,18,19)","","2020-05-18","2020-05-22","2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide","2020-05-27"],["BJ1","(1R,2S)-1-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate","C10 H20 O10 S2","OC[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(C(CO)O)OS(=O)(=O)[O-])O)CO)O)O","InChI=1S/C10H20O10S2/c11-1-5(13)10(20-22(17,18)19)7(15)4-21-3-6(14)9(16)8(21)2-12/h5-16H,1-4H2/t5-,6+,7+,8+,9-,10+,21-/m0/s1","","2010-01-14","2011-06-04","[(2S,3R,4S)-1-[(1S,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5-trihydroxy-pentan-3-yl] sulfate",""],["BJ2","(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","C18 H28 N4 O8","C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)CC(O)=O)C(O)=O)C(=O)N2CCC[CH]2C(O)=O;CC(C(=O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)C(CC(=O)O)N)C(=O)O","InChI=1S/C18H28N4O8/c1-9(15(25)22-7-3-5-12(22)17(27)28)20-14(18(29)30)11-4-2-6-21(11)16(26)10(19)8-13(23)24/h9-12,14,20H,2-8,19H2,1H3,(H,23,24)(H,27,28)(H,29,30)/t9-,10-,11-,12-,14-/m0/s1","","2017-10-05","2017-12-15","(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","2017-12-20"],["UGQ","2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline","C16 H17 N O2 S","Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2;Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2","InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3","","2021-02-17","2024-09-27","2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline","2021-06-09"],["BJ3","~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-[(4~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide","C62 H84 N11 O9 P S","NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](CC3CCCCC3)NC(=O)[CH](Cc4ccccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc7ccccc7)Oc8ccccc8;c1ccc(cc1)CC(C(=O)NC(CC2CCCCC2)C(=O)NC(CC3CNc4c3cccc4)C(=O)NC(CCCNC(=N)N)P(=O)(Oc5ccccc5)Oc6ccccc6)NC(=O)CCCCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8","InChI=1S/C62H84N11O9PS/c63-61(64)66-36-20-34-56(83(80,81-45-25-10-3-11-26-45)82-46-27-12-4-13-28-46)72-60(78)51(39-44-40-67-48-30-16-15-29-47(44)48)70-59(77)50(38-43-23-8-2-9-24-43)69-58(76)49(37-42-21-6-1-7-22-42)68-55(75)33-14-5-19-35-65-54(74)32-18-17-31-53-57-52(41-84-53)71-62(79)73-57/h1,3-4,6-7,10-13,15-16,21-22,25-30,43-44,49-53,56-57,67H,2,5,8-9,14,17-20,23-24,31-41H2,(H,65,74)(H,68,75)(H,69,76)(H,70,77)(H,72,78)(H4,63,64,66)(H2,71,73,79)/t44-,49-,50+,51+,52?,53?,56-,57?/m1/s1","","2021-12-08","2024-01-25","~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-(2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide","2022-11-09"],["UGR","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","C26 H26 N6 O5 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c(N)ncnc25)C(O)=O;c1ccc2c(c1)cc(cn2)C#Cc3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O)N)O)O","InChI=1S/C26H26N6O5S/c27-17(26(35)36)7-8-38-12-19-21(33)22(34)25(37-19)32-11-16(20-23(28)30-13-31-24(20)32)6-5-14-9-15-3-1-2-4-18(15)29-10-14/h1-4,9-11,13,17,19,21-22,25,33-34H,7-8,12,27H2,(H,35,36)(H2,28,30,31)/t17-,19+,21+,22+,25+/m0/s1","","2023-02-03","2023-03-31","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","2023-04-05"],["UGS","N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide","C18 H16 N2 O2","N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC;COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1;COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2","InChI=1S/C18H16N2O2/c1-22-16-8-9-19-17(12-16)20-18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,19,20,21)","","2020-05-18","2020-05-22","N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide","2020-05-27"],["BJ4","8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one","C16 H14 N2 O2","COc1cccc2C(=O)NC(=Nc12)c3ccc(C)cc3;Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2","InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)","","2015-03-27","2016-04-08","8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one","2016-04-13"],["BJ5","desferrioxamine B","C25 H45 Fe N6 O8","CC(=O)[N]1CCCCCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(CCCCCN)O[Fe](O1)O2;CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN","InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+3","","2017-10-05","2018-04-27","","2018-05-02"],["UGT","N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide","C16 H19 N3 O S","NC(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3;c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3","InChI=1S/C16H19N3OS/c17-16(15-5-2-8-21-15)19-13-4-1-3-12(9-13)11-20-14-6-7-18-10-14/h1-5,8-9,14,18H,6-7,10-11H2,(H2,17,19)/t14-/m1/s1","","2015-03-22","2015-06-19","N'-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide","2015-06-24"],["BJ6","3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid","C18 H15 N O3","OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3;c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3ccccc3","InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)","","2022-03-29","2022-11-18","3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid","2022-11-23"],["UGU","(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid","C20 H34 O5","CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O","InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1","Dinoprost; Prostaglandin F2a; PGF2alpha","2023-05-30","2023-11-01","(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid","2023-07-12"],["BJ8","Double cubane cluster","Fe8 S9","S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4;S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71","InChI=1S/8Fe.9S","","2017-10-05","2018-03-09","","2018-03-14"],["UGV","2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide","C11 H9 Cl N2 O S","n2cccc(NC(Cc1ccc(s1)Cl)=O)c2;Clc1sc(CC(=O)Nc2cccnc2)cc1;c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl","InChI=1S/C11H9ClN2OS/c12-10-4-3-9(16-10)6-11(15)14-8-2-1-5-13-7-8/h1-5,7H,6H2,(H,14,15)","","2020-05-18","2020-05-22","2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide","2020-05-27"],["BJ9","1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name)","C17 H23 N5 O14","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1OC(N2C=C(C(=O)NC2=O)C(=O)O)C(O)C1O)C(=O)O;N[CH]([CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]1O)N2C=C(C(O)=O)C(=O)NC2=O)C(O)=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N)O)O)C(=O)O","InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1","Polyoxin d","2021-11-15","2022-07-08","1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name)","2022-07-13"],["UGW","2,4-di~{tert}-butylphenol","C14 H22 O","CC(C)(C)c1ccc(O)c(c1)C(C)(C)C;CC(C)(C)c1ccc(c(c1)C(C)(C)C)O","InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3","","2021-02-22","2022-02-25","2,4-di~{tert}-butylphenol","2022-03-02"],["BJA","(2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide","C26 H36 N8 O4 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CCCNC(=[N@H])N)CCC3;NC(=N)NCCC[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N;c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=N)N","InChI=1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1","","2011-10-26","2012-10-19","N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","2012-10-19"],["UGX","N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide","C18 H23 N3 O2 S","O=C3c2n(cc(c1ccsc1)c2)C(CC(=O)NCC(C)(C)C)CN3;CC(C)(C)CNC(=O)C[CH]1CNC(=O)c2cc(cn12)c3cscc3;CC(C)(C)CNC(=O)CC1CNC(=O)c2n1cc(c2)c3ccsc3","InChI=1S/C18H23N3O2S/c1-18(2,3)11-20-16(22)7-14-8-19-17(23)15-6-13(9-21(14)15)12-4-5-24-10-12/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1","","2013-07-29","2014-09-05","N-(2,2-dimethylpropyl)-2-[(4S)-1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide","2013-10-30"],["BJB","4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid","C19 H15 Cl N2 O4 S2","OC(=O)CCCc1cc2cc(Cl)ccc2n1[S](=O)(=O)c3ccc4ncsc4c3;c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2","InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)","","2017-10-06","2018-03-09","4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloranyl-indol-2-yl]butanoic acid","2018-03-14"],["UGY","(2S)-amino(carbamoylamino)ethanoic acid","C3 H7 N3 O3","O=C(N)NC(N)C(=O)O;N[CH](NC(N)=O)C(O)=O;C(C(=O)O)(N)NC(=O)N","InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1","(S)-2-ureidoglycine","2012-03-20","2020-06-17","(2S)-amino(carbamoylamino)ethanoic acid",""],["BJC","(1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy\nl]cyclohexanecarboxamide","C35 H51 N3 O3","CC(C)c1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CCC[CH](C3)C(C)(C)N4CCCCC4=O)c1;CC(C)c1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3CCCC(C3)C(C)(C)N4CCCCC4=O)O","InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32-/m1/s1","(1R,3S)-3-[1-Methyl-1-(2-oxo-piperidin-1-yl)-ethyl]-cyclohexanecarboxylic acid\n[(1S,2R)-1-benzyl-2-hydroxy-3-(3-isopropyl-benzylamino)-propyl]-amide","2009-12-11","2020-06-17","(1R,3S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide",""],["UGZ","N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide","C25 H27 Cl N2 O5 S","COc1cc(ccc1CNCCN[S](C)(=O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3;COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4","InChI=1S/C25H27ClN2O5S/c1-31-23-14-17(6-7-19(23)16-27-10-11-28-34(2,29)30)20-4-3-5-21(25(20)26)18-8-9-22-24(15-18)33-13-12-32-22/h3-9,14-15,27-28H,10-13,16H2,1-2H3","~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide","2021-02-23","2021-08-06","~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide","2021-08-11"],["UH0","~{N}-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-2-[methyl-[(2~{R},3~{R},4~{S},6~{R})-6-methyl-2,3-bis(oxidanyl)oxan-4-yl]amino]ethanamide","C26 H31 F N8 O6","OC1C(CC(C)OC1O)N(C)CC(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c(F)c2)C(=O)O1;C[CH]1C[CH]([CH](O)[CH](O)O1)N(C)CC(=O)NC[CH]2CN(C(=O)O2)c3ccc(c(F)c3)c4ccc(nc4)c5nnn(C)n5;CC1CC(C(C(O1)O)O)N(C)CC(=O)NCC2CN(C(=O)O2)c3ccc(c(c3)F)c4ccc(nc4)c5nnn(n5)C","InChI=1S/C26H31FN8O6/c1-14-8-21(23(37)25(38)40-14)33(2)13-22(36)29-11-17-12-35(26(39)41-17)16-5-6-18(19(27)9-16)15-4-7-20(28-10-15)24-30-32-34(3)31-24/h4-7,9-10,14,17,21,23,25,37-38H,8,11-13H2,1-3H3,(H,29,36)/t14-,17+,21+,23-,25-/m1/s1","","2022-08-18","2023-06-23","2-{[(2R,3R,4S,6R)-2,3-dihydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name)","2023-06-28"],["BJD","N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine","C36 H39 Cl2 N5 O3 S","Clc1c(cc(cc1)C#Cc2c(ccc(c2)c4c3CN(S(=O)(=O)C)CCc3n(n4)CCCN5CCOCC5)Cl)CNCc6ccccc6;C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)c4ccc(Cl)c(c4)C#Cc5ccc(Cl)c(CNCc6ccccc6)c5;CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1","InChI=1S/C36H39Cl2N5O3S/c1-47(44,45)42-17-14-35-32(26-42)36(40-43(35)16-5-15-41-18-20-46-21-19-41)30-11-13-33(37)29(23-30)10-8-27-9-12-34(38)31(22-27)25-39-24-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,22-23,39H,5,14-21,24-26H2,1H3","","2017-08-08","2017-12-15","N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine","2017-12-20"],["BJE","2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil","C9 H10 N2 O5","OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O;C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O","InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1","Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE","2017-10-06","2020-06-17","(2~{R},4~{R},5~{R},6~{R})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one",""],["UH1","2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide","C14 H11 N3 O","N(C(Cc1cc(ccc1)C#N)=O)c2cccnc2;O=C(Cc1cccc(c1)C#N)Nc2cccnc2;c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2","InChI=1S/C14H11N3O/c15-9-12-4-1-3-11(7-12)8-14(18)17-13-5-2-6-16-10-13/h1-7,10H,8H2,(H,17,18)","","2020-05-18","2020-05-22","2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide","2020-05-27"],["BJF","{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid","C14 H25 N3 O3","Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O;CC(C)C[CH](N)c1nc(CC(C)C)c(O)n1CC(O)=O;CC(C)Cc1c(n(c(n1)C(CC(C)C)N)CC(=O)O)O","InChI=1S/C14H25N3O3/c1-8(2)5-10(15)13-16-11(6-9(3)4)14(20)17(13)7-12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,18,19)/t10-/m0/s1","CHROMOPHORE (LEU-LEU-GLY)","2019-02-06","2024-09-27","{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid","2019-03-20"],["UH2","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","C24 H25 N7 O5 S","N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3[nH]c4ccccc4n3)c5c(N)ncnc25)C(O)=O;c1ccc2c(c1)[nH]c(n2)C#Cc3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O)N)O)O","InChI=1S/C24H25N7O5S/c25-13(24(34)35)7-8-37-10-16-19(32)20(33)23(36-16)31-9-12(18-21(26)27-11-28-22(18)31)5-6-17-29-14-3-1-2-4-15(14)30-17/h1-4,9,11,13,16,19-20,23,32-33H,7-8,10,25H2,(H,29,30)(H,34,35)(H2,26,27,28)/t13-,16+,19+,20+,23+/m0/s1","","2023-02-03","2023-03-31","(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid","2023-04-05"],["BJG","2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide","C28 H30 Cl N7 O","Clc1cc(c(cc1)C)c2c(C(=O)N)cc(n2C)c3nc(ncc3)Nc4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cc(C(N)=O)c(n4C)c5cc(Cl)ccc5C)cc2;Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl","InChI=1S/C28H30ClN7O/c1-18-4-5-19(29)16-22(18)26-23(27(30)37)17-25(35(26)3)24-10-11-31-28(33-24)32-20-6-8-21(9-7-20)36-14-12-34(2)13-15-36/h4-11,16-17H,12-15H2,1-3H3,(H2,30,37)(H,31,32,33)","","2014-05-05","2014-07-18","2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide","2014-07-23"],["UH3","(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide","C14 H12 N4 O2","Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O;Cc1c([nH]cn1)C=C2c3cc(ccc3NC2=O)C(=O)N","InChI=1S/C14H12N4O2/c1-7-12(17-6-16-7)5-10-9-4-8(13(15)19)2-3-11(9)18-14(10)20/h2-6H,1H3,(H2,15,19)(H,16,17)(H,18,20)","","2023-09-05","2023-09-08","(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide","2023-09-13"],["BJH","1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID","C11 H14 B N O6","O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C;CC(=O)N[CH](Cc1cccc(C(O)=O)c1O)B(O)O;B(C(Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O","InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1","","2000-04-20","2024-09-27","3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid",""],["UH4","N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea","C11 H11 N3 O S","N(C(Nc1ccc(s1)C)=O)c2cccnc2;Cc1sc(NC(=O)Nc2cccnc2)cc1;Cc1ccc(s1)NC(=O)Nc2cccnc2","InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15)","","2020-05-18","2020-05-22","N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea","2020-05-27"],["UH5","3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside","C17 H24 N4 O5","NCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3ccccc3;c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCCCN)CO)O)O","InChI=1S/C17H24N4O5/c18-7-4-8-25-17-14(16(24)15(23)13(10-22)26-17)21-9-12(19-20-21)11-5-2-1-3-6-11/h1-3,5-6,9,13-17,22-24H,4,7-8,10,18H2/t13-,14+,15-,16-,17+/m1/s1","(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(3-azanylpropoxy)-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol","2021-02-23","2021-10-22","(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(3-azanylpropoxy)-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol","2021-10-27"],["BJI","1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID","C11 H14 B N O5","O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O;CC(=O)N[CH](Cc1cccc(c1)C(O)=O)B(O)O;B(C(Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O","InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1","","2000-04-17","2024-09-27","3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid",""],["BJJ","N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine","C36 H43 Cl2 N5 O3 S","c12CN(CCc1n(nc2c3ccc(Cl)c(c3)CCc4ccc(c(c4)CNCc5ccccc5)Cl)CCCN6CCOCC6)S(C)(=O)=O;C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)c4ccc(Cl)c(CCc5ccc(Cl)c(CNCc6ccccc6)c5)c4;CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1","InChI=1S/C36H43Cl2N5O3S/c1-47(44,45)42-17-14-35-32(26-42)36(40-43(35)16-5-15-41-18-20-46-21-19-41)30-11-13-33(37)29(23-30)10-8-27-9-12-34(38)31(22-27)25-39-24-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,22-23,39H,5,8,10,14-21,24-26H2,1H3","","2017-08-08","2017-12-15","N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine","2017-12-20"],["UH6","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","C58 H90 F N9 O15 S","Cn1nc(nn1)c1ccc(cn1)c1ccc(cc1F)N1CC(OC1=O)CNC(=O)CSCCN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)CCSCC(=O)NC[CH]4CN(C(=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7)[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CCSCC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O","InChI=1S/C58H90FN9O15S/c1-15-44-58(10,76)49(71)35(6)66(12)28-31(2)24-56(8,75)51(33(4)48(34(5)53(73)81-44)82-46-25-57(9,77-14)50(72)36(7)79-46)83-54-47(70)43(22-32(3)78-54)65(11)20-21-84-30-45(69)61-27-39-29-68(55(74)80-39)38-17-18-40(41(59)23-38)37-16-19-42(60-26-37)52-62-64-67(13)63-52/h16-19,23,26,31-36,39,43-44,46-51,54,70-72,75-76H,15,20-22,24-25,27-30H2,1-14H3,(H,61,69)/t31-,32-,33+,34-,35-,36+,39+,43+,44-,46+,47-,48+,49-,50+,51-,54+,56-,57-,58-/m1/s1","","2022-08-18","2023-06-23","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","2023-06-28"],["BJK","(4-methoxy-3-oxidanyl-phenyl)methylazanium","C8 H12 N O2","COc1ccc(C[NH3+])cc1O;COc1ccc(cc1O)C[NH3+]","InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3/p+1","","2017-10-06","2018-02-23","(4-methoxy-3-oxidanyl-phenyl)methylazanium","2018-02-28"],["UH7","2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide","C14 H13 Cl N2 O","N(C(Cc1cccc(c1)Cl)=O)c2cnccc2C;Cc1ccncc1NC(=O)Cc2cccc(Cl)c2;Cc1ccncc1NC(=O)Cc2cccc(c2)Cl","InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)","","2020-05-18","2020-05-22","2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide","2020-05-27"],["UH8","Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside","C14 H18 N4 O5","CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3cccnc3;COC1C(C(C(C(O1)CO)O)O)n2cc(nn2)c3cccnc3","InChI=1S/C14H18N4O5/c1-22-14-11(13(21)12(20)10(7-19)23-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12-,13-,14+/m1/s1","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol","2021-02-23","2021-10-22","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol","2021-10-27"],["BJL","N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine","C15 H19 N O7","C(c1ccc(cc1)O)C(C(O)=O)NC(CC(O)C(OCC)=O)=O;CCOC(=O)[CH](O)CC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O;CCOC(=O)C(CC(=O)NC(Cc1ccc(cc1)O)C(=O)O)O","InChI=1S/C15H19NO7/c1-2-23-15(22)12(18)8-13(19)16-11(14(20)21)7-9-3-5-10(17)6-4-9/h3-6,11-12,17-18H,2,7-8H2,1H3,(H,16,19)(H,20,21)/t11-,12+/m0/s1","","2019-02-07","2024-09-27","N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine","2019-05-01"],["UH9","[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid","C16 H15 F3 N O5 P","O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2;c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P(=O)(O)O","InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)","","2023-02-03","2024-04-26","[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid","2024-05-01"],["BJM","(2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad\namantyl]ethanone","C18 H27 N3 O2","N[CH](C(=O)N1[CH](C[CH]2C[CH]12)C=N)C34C[CH]5C[CH](CC(O)(C5)C3)C4;C1C2CC2N(C1C=N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N","InChI=1S/C18H27N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h8,10-15,19,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1","Saxagliptin, bound form","2007-12-13","2024-09-27","(2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-adamantyl]ethanone",""],["BJN","2-pyridin-3-ylethylazanium","C7 H11 N2","[NH3+]CCc1cccnc1;c1cc(cnc1)CC[NH3+]","InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2/p+1","","2017-10-06","2018-02-23","2-pyridin-3-ylethylazanium","2018-02-28"],["UHA","(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide","C15 H15 Cl N2 O","n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O;C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(C)c2cccc(c2)Cl","InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1","","2020-05-18","2020-05-22","(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide","2020-05-27"],["BJO","(4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid","C16 H15 N3 O6","O=C(CCC(=C2/N=C(C=C1/C=CC(C=C1)=O)C(=O)N2CC(=O)O)N)O;NC(CCC(O)=O)=C1N=C(C=C2C=CC(=O)C=C2)C(=O)N1CC(O)=O;C1=CC(=O)C=CC1=CC2=NC(=C(CCC(=O)O)N)N(C2=O)CC(=O)O","InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7H,5-6,8,17H2,(H,21,22)(H,23,24)/b15-11-","CHROMOPHORE (GLU-TYR-GLY)","2019-02-07","2024-09-27","(4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid","2019-03-20"],["UHB","2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide","C24 H27 N9 O6","O=C6C5=CC=C/C(=N/C(=O)CN4CCN(C(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CC4)C5=CN6;Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)N4CCN(CC4)CC(=O)Nc5cccc6C(=O)NCc56;c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)C4C(C(C(O4)n5cnc6c5ncnc6N)O)O)CNC2=O","InChI=1S/C24H25N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,8,10-11,17-19,24,35-36H,4-7,9H2,(H,26,37)(H2,25,27,28)/b30-14-/t17-,18+,19-,24+/m0/s1","","2013-04-18","2013-12-06","2-(4-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}piperazin-1-yl)-N-[(4Z)-1-oxo-1,2-dihydro-4H-isoindol-4-ylidene]acetamide (non-preferred name)","2013-12-11"],["BJP","(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID","C17 H18 B N O5","O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O;OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2;B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O","InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1","","2000-04-19","2024-09-27","3-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid",""],["UHC","~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate","C19 H35 N2 O9 P S","CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H35N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h17,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t17-/m1/s1","","2023-06-02","2024-09-27","~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate","2023-11-15"],["BJQ","[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium","C10 H14 N O2","COC(=O)[CH]([NH3+])Cc1ccccc1;COC(=O)C(Cc1ccccc1)[NH3+]","InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1/t9-/m0/s1","","2017-10-06","2018-02-23","[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium","2018-02-28"],["UHD","6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE","C18 H25 N O3 S","O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC;CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O;CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O","InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3","3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL; UHDBT","2004-03-29","2020-06-17","6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione",""],["BJR","(4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium","C42 H85 N O8 P","O(C(COP(=O)(O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m1/s1","","2019-02-07","2022-04-22","(4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium","2022-04-27"],["UHE","(S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide","C13 H19 N O2 S","COc1ccc(NC(=O)[CH](S)CC(C)C)cc1;CC(C)CC(C(=O)Nc1ccc(cc1)OC)S","InChI=1S/C13H19NO2S/c1-9(2)8-12(17)13(15)14-10-4-6-11(16-3)7-5-10/h4-7,9,12,17H,8H2,1-3H3,(H,14,15)/t12-/m0/s1","(2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide","2021-02-23","2022-09-02","(2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide","2022-09-07"],["UHF","N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide","C19 H30 N4 O4","O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C;CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1ccc(C)cn1)C(C)C;CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc(cn1)C","InChI=1S/C19H30N4O4/c1-5-6-7-15(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-9-8-14(4)10-20-16/h8-10,12-13,15,17,27H,5-7,11H2,1-4H3,(H2,20,21,22,26)/t15-,17+/m1/s1","","2011-10-20","2012-06-22","1-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]-3-(5-methylpyridin-2-yl)urea",""],["BJS","2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide","C38 H40 Cl2 N6 O3","C(CCn2c1c(CN(C(C(=O)N)=O)CC1)c(n2)c3cc(c(cc3)Cl)C#Cc4ccc(c(c4)CNCc5ccccc5)Cl)N6CCOCC6C;C[CH]1COCCN1CCCn2nc(c3ccc(Cl)c(c3)C#Cc4ccc(Cl)c(CNCc5ccccc5)c4)c6CN(CCc26)C(=O)C(N)=O;CC1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N","InChI=1S/C38H40Cl2N6O3/c1-26-25-49-19-18-44(26)15-5-16-46-35-14-17-45(38(48)37(41)47)24-32(35)36(43-46)30-11-13-33(39)29(21-30)10-8-27-9-12-34(40)31(20-27)23-42-22-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,20-21,26,42H,5,14-19,22-25H2,1H3,(H2,41,47)/t26-/m0/s1","","2017-08-08","2017-12-15","2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide","2017-12-20"],["UHG","(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid","C15 H12 Cl N O2","c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O;C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1;CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O","InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1","","2020-05-18","2020-05-22","(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid","2020-05-27"],["BJT","[(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate","C26 H56 O34 P4","OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC(COP(=O)(O)OCC(C(C(COP(=O)(O)O)O)O)O)C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O","InChI=1S/C26H56O34P4/c27-1-10(29)19(36)12(31)4-53-62(46,47)54-5-14(33)21(38)15(34)6-55-63(48,49)57-8-16(35)22(39)18(60-26-25(42)24(41)23(40)17(2-28)59-26)9-58-64(50,51)56-7-13(32)20(37)11(30)3-52-61(43,44)45/h10-42H,1-9H2,(H,46,47)(H,48,49)(H,50,51)(H2,43,44,45)/t10-,11+,12+,13-,14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26-/m0/s1","","2021-12-08","2023-12-01","[(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate","2023-12-06"],["BJU","N-tetradecanoylglycine","C16 H31 N O3","C(CCCC(=O)NCC(O)=O)CCCCCCCCC;CCCCCCCCCCCCCC(=O)NCC(O)=O;CCCCCCCCCCCCCC(=O)NCC(=O)O","InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)","","2019-02-07","2024-09-27","N-tetradecanoylglycine","2024-03-27"],["UHH","(3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE","C24 H39 N O4","O=C(N)CCC(C3CCC2C1C(O)CC4CC(O)C=CC4(C)C1CC(O)C23C)C;C[CH](CCC(N)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)C=C[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(C=CC(C4)O)C)O)O)C","InChI=1S/C24H39NO4/c1-13(4-7-21(25)29)16-5-6-17-22-18(12-20(28)24(16,17)3)23(2)9-8-15(26)10-14(23)11-19(22)27/h8-9,13-20,22,26-28H,4-7,10-12H2,1-3H3,(H2,25,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1","","2007-01-19","2018-05-11","(3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide","2018-05-16"],["BJV","N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine","C37 H42 Cl N5 O4 S","C1CN(CCO1)CCCn5c6c(c(c2ccc(c(c2)C#Cc3ccc(c(c3)CNCc4ccccc4)OC)Cl)n5)CN(CC6)S(C)(=O)=O;COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4nn(CCCN5CCOCC5)c6CCN(Cc46)[S](C)(=O)=O;COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C","InChI=1S/C37H42ClN5O4S/c1-46-36-14-10-28(23-32(36)26-39-25-29-7-4-3-5-8-29)9-11-30-24-31(12-13-34(30)38)37-33-27-42(48(2,44)45)18-15-35(33)43(40-37)17-6-16-41-19-21-47-22-20-41/h3-5,7-8,10,12-14,23-24,39H,6,15-22,25-27H2,1-2H3","","2017-08-08","2017-12-15","N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine","2017-12-20"],["UHI","(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one","C21 H21 N O4 S","CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(OCC2CC2)cc1;CN1C=C(c2ccccc2C1=O)c3cc(ccc3OCC4CC4)[S](C)(=O)=O;CN1C=C(c2ccccc2C1=O)c3cc(ccc3OCC4CC4)S(=O)(=O)C","InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3","Trotabresib","2022-08-18","2023-03-24","(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one","2023-03-29"],["BJW","4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid","C48 H64 N10 O19 P2 S","CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(CCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8;CC(C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CCCCNC3(OC4C(C(OC4S3)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8","InChI=1S/C48H64N10O19P2S/c1-26(2)55-44(65)32(19-28-20-50-30-14-7-6-13-29(28)30)56-43(64)31(57-47(66)71-21-27-11-4-3-5-12-27)15-8-9-18-54-48(17-10-16-35(59)60)76-40-38(62)34(75-46(40)80-48)23-73-79(69,70)77-78(67,68)72-22-33-37(61)39(63)45(74-33)58-25-53-36-41(49)51-24-52-42(36)58/h3-7,11-14,20,24-26,31-34,37-40,45-46,50,54,61-63H,8-10,15-19,21-23H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,49,51,52)/t31-,32-,33+,34+,37+,38+,39+,40+,45+,46+,48+/m0/s1","","2017-10-07","2017-10-27","4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid","2017-11-01"],["UHJ","N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide","C16 H14 N4 O3 S2","CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C(S3)=N)(=O)=O;C[S](=O)(=O)Nc1ccc(cc1)c2cncc(C=C3SC(=N)NC3=O)c2;CS(=O)(=O)Nc1ccc(cc1)c2cc(cnc2)C=C3C(=O)NC(=N)S3","InChI=1S/C16H14N4O3S2/c1-25(22,23)20-13-4-2-11(3-5-13)12-6-10(8-18-9-12)7-14-15(21)19-16(17)24-14/h2-9,20H,1H3,(H2,17,19,21)/b14-7-","","2019-11-08","2020-12-04","N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide","2020-12-09"],["BJX","Repaglinide","C27 H36 N2 O4","C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C;CCOc1cc(CC(=O)N[CH](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O;CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCCC3","InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1","2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid","2019-02-07","2020-06-17","2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid","2019-05-22"],["UHK","(S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide","C13 H19 N O S","CC(C)C[CH](S)C(=O)Nc1ccc(C)cc1;Cc1ccc(cc1)NC(=O)C(CC(C)C)S","InChI=1S/C13H19NOS/c1-9(2)8-12(16)13(15)14-11-6-4-10(3)5-7-11/h4-7,9,12,16H,8H2,1-3H3,(H,14,15)/t12-/m0/s1","(2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide","2021-02-23","2022-09-02","(2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide","2022-09-07"],["UHL","5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine","C5 H9 N3 O2","COCCc1oc(N)nn1;COCCc1nnc(o1)N","InChI=1S/C5H9N3O2/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8)","","2023-02-03","2024-02-16","5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine","2024-02-21"],["BJY","5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium","C29 H34 F3 N6 O4 S","c5(c1CN(CCc1n(CC(O)CN4CCC(c2cnc3cc[n+](cc23)O)CC4)n5)S(C)(=O)=O)c6ccc(cc6)C(F)(F)F;C[S](=O)(=O)N1CCc2n(C[CH](O)CN3CCC(CC3)c4c[nH]c5cc[n+](O)cc45)nc(c6ccc(cc6)C(F)(F)F)c2C1;CS(=O)(=O)N1CCc2c(c(nn2CC(CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1","InChI=1S/C29H33F3N6O4S/c1-43(41,42)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)34-38(27)16-22(39)15-35-10-6-19(7-11-35)23-14-33-26-8-12-36(40)17-24(23)26/h2-5,8,12,14,17,19,22,39-40H,6-7,9-11,13,15-16,18H2,1H3/p+1/t22-/m0/s1","","2017-08-08","2017-12-15","5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium","2017-12-20"],["BJZ","6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid","C26 H19 Cl2 N5 O4","O=C(O)c1ccc(nc1)N5CC(c2ccc(C#N)cc2)C3(C(=O)N(C(=O)N3C)c4cc(Cl)cc(Cl)c4)C5;CN1C(=O)N(C(=O)[C]12CN(C[CH]2c3ccc(cc3)C#N)c4ccc(cn4)C(O)=O)c5cc(Cl)cc(Cl)c5;CN1C(=O)N(C(=O)C12CN(CC2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl","InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1","","2010-04-20","2011-06-04","6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid",""],["UHM","2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide","C13 H11 N3 O2 S","n2scc(CNC(c1c(OCC#N)cccc1)=O)c2;O=C(NCc1csnc1)c2ccccc2OCC#N;c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N","InChI=1S/C13H11N3O2S/c14-5-6-18-12-4-2-1-3-11(12)13(17)15-7-10-8-16-19-9-10/h1-4,8-9H,6-7H2,(H,15,17)","","2020-05-18","2020-05-22","2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide","2020-05-27"],["BK0","N-(3-chlorophenyl)pyridine-2-carboxamide","C12 H9 Cl N2 O","Clc1cccc(NC(=O)c2ccccn2)c1;c1ccnc(c1)C(=O)Nc2cccc(c2)Cl","InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)","","2023-05-17","2023-06-16","~{N}-(3-chlorophenyl)pyridine-2-carboxamide","2023-06-21"],["UHN","4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde","C16 H22 N2 O3 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3;c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3","InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2","","2021-02-23","2024-09-27","4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde","2021-06-09"],["BK1","1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C19 H19 N5","n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N;CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14;CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N","InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)","4-Amino-1-iso-propyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine","2009-07-09","2020-06-17","3-(naphthalen-1-ylmethyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["UHO","2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid","C23 H25 N3 O6 S2","N[S](=O)(=O)c1ccc(CCN(Cc2cccc(NCC(O)=O)c2)[S](=O)(=O)c3ccccc3)cc1;c1ccc(cc1)S(=O)(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)NCC(=O)O","InChI=1S/C23H25N3O6S2/c24-33(29,30)21-11-9-18(10-12-21)13-14-26(34(31,32)22-7-2-1-3-8-22)17-19-5-4-6-20(15-19)25-16-23(27)28/h1-12,15,25H,13-14,16-17H2,(H,27,28)(H2,24,29,30)","","2023-09-05","2024-09-06","2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid","2024-09-11"],["BK2","1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C19 H19 N5","n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C(C)(C)C)N;CC(C)(C)n1nc(c2ccc3ccccc3c2)c4c(N)ncnc14;CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N","InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)","4-Amino-1-tert-butyl-3-(2-naphthyl)pyrazolo[3,4-d]pyrimidine","2009-07-09","2021-03-13","1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["UHP","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","C51 H85 N7 O17","[O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)Cn1cc(nn1)CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)Cc4cn(CC(=O)N[CH](CO)[CH](O)c5ccc(cc5)[N+]([O-])=O)nn4)[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)Cc4cn(nn4)CC(=O)NC(CO)C(c5ccc(cc5)[N+](=O)[O-])O)O)(C)O)C)C)C)O)(C)O","InChI=1S/C51H85N7O17/c1-14-38-51(10,67)44(63)31(6)55(11)22-27(2)20-49(8,66)46(29(4)43(30(5)47(65)73-38)74-40-21-50(9,70-13)45(64)32(7)72-40)75-48-42(62)37(19-28(3)71-48)56(12)23-34-24-57(54-53-34)25-39(60)52-36(26-59)41(61)33-15-17-35(18-16-33)58(68)69/h15-18,24,27-32,36-38,40-46,48,59,61-64,66-67H,14,19-23,25-26H2,1-13H3,(H,52,60)/t27-,28-,29+,30-,31-,32+,36-,37+,38-,40+,41-,42-,43+,44-,45+,46-,48+,49-,50-,51-/m1/s1","","2022-08-18","2023-06-23","(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","2023-06-28"],["BK3","3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C22 H24 N6","n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)CC5CCNCC5)N;Nc1ncnc2n(CC3CCNCC3)nc(Cc4cccc5ccccc45)c12;c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N","InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)","","2010-05-10","2011-06-04","3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["UHQ","4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde","C14 H20 N2 O3 S","CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2;CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3","","2021-02-23","2024-09-27","4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde","2021-06-09"],["BK4","3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C19 H19 N5 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)C(C)C)N;COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34;CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N","InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)","RM-1-87","2011-07-27","2021-03-01","3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["UHR","[(2R)-oxan-2-yl]methanamine","C6 H13 N O","NC[CH]1CCCCO1;C1CCOC(C1)CN","InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1","","2023-02-06","2024-02-16","[(2~{R})-oxan-2-yl]methanamine","2024-02-21"],["BK5","3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C20 H21 N5 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)C(C)C)N;CCOc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34;CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N","InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)","RM-1-89","2011-07-27","2020-06-17","3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["UHS","N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide","C21 H30 N4 O3","N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2;CCC(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2cc(on2)C(C)(C)C;CCC(=O)N(c1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C","InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1","","2020-05-18","2024-09-27","N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide","2020-05-27"],["U","URIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O9 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","5'-uridylic acid",""],["BK6","3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C22 H24 N6 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)CC5CCNCC5)N;COc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35;COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N","InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)","RM-1-130","2011-07-27","2021-03-01","3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["BK7","3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C23 H26 N6 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC5CCNCC5)N;CCOc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35;CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N","InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)","RM-1-132","2011-07-27","2020-06-17","3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["UHT","~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide","C14 H19 N O3 S","CN(C1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2;CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3","","2021-02-23","2024-09-27","~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide","2021-06-09"],["UHU","(1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol","C6 H11 N O3","OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12;C(C1C2C(N2)C(C1O)O)O","InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1","","2023-09-05","2023-12-08","(1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol","2023-12-13"],["BK8","4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine","C24 H27 N5 O","Nc1nnc2c1c(cc(c2)CN3CCNCC3)c4ccc5c(c4)ccc(c5)OCC;CCOc1ccc2cc(ccc2c1)c3cc(CN4CCNCC4)cc5n[nH]c(N)c35;CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5","InChI=1S/C24H27N5O/c1-2-30-20-6-5-17-13-19(4-3-18(17)14-20)21-11-16(15-29-9-7-26-8-10-29)12-22-23(21)24(25)28-27-22/h3-6,11-14,26H,2,7-10,15H2,1H3,(H3,25,27,28)","","2015-03-25","2016-04-01","4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine","2016-04-06"],["UHV","N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C25 H30 N4 O4","N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC;CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on3)C(C)(C)C;CCC(=O)N(c1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC","InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1","","2020-05-18","2024-09-27","N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-05-27"],["BK9","4-ethoxyquinazoline","C10 H10 N2 O","n2c1c(cccc1)c(OCC)nc2;CCOc1ncnc2ccccc12;CCOc1c2ccccc2ncn1","InChI=1S/C10H10N2O/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3","","2014-06-27","2015-02-20","4-ethoxyquinazoline","2015-02-25"],["BKA","3-oxoheptanoic acid","C7 H12 O3","O=C(CCCC)CC(=O)O;CCCCC(=O)CC(O)=O;CCCCC(=O)CC(=O)O","InChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2-5H2,1H3,(H,9,10)","","2008-11-05","2012-04-27","3-oxoheptanoic acid",""],["UHW","4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde","C12 H16 N2 O3 S","CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3","","2021-02-23","2024-09-27","4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde","2021-06-09"],["BKB","5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide","C25 H29 Cl F3 N5 O5 S","O=S(=O)(c1cc2CCN(C(=O)NCCCCC(=O)NO)c2cc1)N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F;ONC(=O)CCCCNC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F;c1cc2c(cc1S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F)CCN2C(=O)NCCCCC(=O)NO","InChI=1S/C25H29ClF3N5O5S/c26-19-14-18(25(27,28)29)15-20(16-19)32-9-11-33(12-10-32)40(38,39)21-4-5-22-17(13-21)6-8-34(22)24(36)30-7-2-1-3-23(35)31-37/h4-5,13-16,37H,1-3,6-12H2,(H,30,36)(H,31,35)","","2021-11-17","2023-04-07","5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide","2023-04-12"],["UHX","6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C19 H16 F N5 O","Fc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccc(OC)cc3)cc4;COc1ccc(cc1)c2c([nH]c3nc(N)nc(N)c23)c4ccc(F)cc4;COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N","InChI=1S/C19H16FN5O/c1-26-13-8-4-10(5-9-13)14-15-17(21)24-19(22)25-18(15)23-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H5,21,22,23,24,25)","","2014-01-16","2015-01-16","6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["BKC","Bongkrekic acid","C28 H38 O7","CO[CH](CC=CC=CCCC=CC[CH](C)C=CC(CC(O)=O)=CC(O)=O)C(C)=CC=C(C)C(O)=O;CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O","InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1","Bongkrek acid","2018-04-17","2021-03-01","(2~{E},4~{Z},6~{R},8~{Z},10~{E},14~{E},17~{S},18~{E},20~{Z})-20-(2-hydroxy-2-oxoethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid","2019-01-09"],["UHY","N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide","C27 H32 N4 O2","N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc2)C(CC)=O)c3cnccc3;CCC(=O)N([CH](C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3ccc(nc3)C(C)C;CCc1cccc(c1NC(=O)C(c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C","InChI=1S/C27H32N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h8-18,26H,6-7H2,1-5H3,(H,30,33)/t26-/m1/s1","","2020-05-18","2024-09-27","N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide","2020-05-27"],["BKD","1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one","C20 H22 N4 O","C5C(Cn4c1CCN(C(C)=O)Cc1c(c2c3c(ccc2)ncc3)n4)C5;CC(=O)N1CCc2n(CC3CC3)nc(c2C1)c4cccc5[nH]ccc45;CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1","InChI=1S/C20H22N4O/c1-13(25)23-10-8-19-17(12-23)20(22-24(19)11-14-5-6-14)16-3-2-4-18-15(16)7-9-21-18/h2-4,7,9,14,21H,5-6,8,10-12H2,1H3","","2017-08-09","2018-08-03","1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one","2018-08-08"],["UHZ","(5-methanoyl-2-nitro-phenyl) methanesulfonate","C8 H7 N O6 S","C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O;CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O","InChI=1S/C8H7NO6S/c1-16(13,14)15-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3","","2021-02-23","2024-09-27","(5-methanoyl-2-nitro-phenyl) methanesulfonate","2021-09-15"],["BKE","7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C19 H15 N3 O2","O=C1c2c(cn(c2N=CN1)c3ccc(OC)cc3)c4ccccc4;COc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24;COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4","InChI=1S/C19H15N3O2/c1-24-15-9-7-14(8-10-15)22-11-16(13-5-3-2-4-6-13)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)","","2014-10-30","2016-01-15","7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2016-01-20"],["UI0","(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","C40 H46 F N5 O8","CC(COC(=O)Nc1cc2ccccc2cn1)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC=C;C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=O)c5coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]3CC=C)n5;CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC=C)C(C)COC(=O)Nc4cc5ccccc5cn4)F)O","InChI=1S/C40H46FN5O8/c1-4-9-27-14-15-35(48)42-16-7-10-25(2)18-31(47)20-30(41)21-36-44-32(24-52-36)38(49)46-17-8-13-33(46)39(50)54-37(27)26(3)23-53-40(51)45-34-19-28-11-5-6-12-29(28)22-43-34/h4-7,10-12,14-15,18-19,22,24,26-27,30-31,33,37,47H,1,8-9,13,16-17,20-21,23H2,2-3H3,(H,42,48)(H,43,45,51)/b10-7+,15-14+,25-18+/t26-,27-,30-,31-,33-,37-/m1/s1","","2022-08-18","2023-06-23","(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate","2023-06-28"],["BKF","(1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate","C32 H43 Cl N2 O9","C3C(C4(C)C(C(C)C1OC(=O)NC(C1)(C(C=CC=C(C)Cc2cc(c(c(c2)N(C3=O)C)Cl)OC)OC)O)O4)OC(=O)C(C)C;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)C(C)C)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O","InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9-,18-10-/t19-,23-,24+,25-,28-,31-,32-/m0/s1","","2019-02-12","2022-02-11","(1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate","2022-02-16"],["UI1","6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE","C23 H21 N7 O","NCc1ccc(cc1)NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N;NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c4cc(ccc4c2)C(N)=N)cc1;c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN","InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30)","","2004-03-26","2021-05-13","N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-[(pyrimidin-2-yl)amino]naphthalene-2-carboxamide",""],["BKH","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H16 Cl2 F3 N3 O4 S","OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(c(cc1SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl","InChI=1S/C20H16Cl2F3N3O4S/c21-10-2-1-9(5-11(10)22)33-20-19(31)17(18(30)15(7-29)32-20)28-6-14(26-27-28)8-3-12(23)16(25)13(24)4-8/h1-6,15,17-20,29-31H,7H2/t15-,17+,18+,19-,20-/m1/s1","","2017-10-10","2018-08-17","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2018-08-22"],["UI2","8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE","C15 H13 N5","n1cccnc1Nc2cccc3c2cc(C(=[N@H])N)cc3;NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1;c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N","InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)","","2004-03-26","2011-06-04","8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide",""],["UI3","7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE","C16 H16 N4 O3 S","O=S(=O)(n3ncc(c1c(OC)ccc2c1cc(C(=[N@H])N)cc2)c3)C;COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C(N)=N;[H]N=C(c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N","InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)","","2004-03-26","2011-06-04","7-methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-yl]naphthalene-2-carboximidamide",""],["BKI","5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C18 H12 Br N3 O","Brc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)cc4;Brc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O)c24;c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br","InChI=1S/C18H12BrN3O/c19-13-8-6-12(7-9-13)15-10-22(14-4-2-1-3-5-14)17-16(15)18(23)21-11-20-17/h1-11H,(H,20,21,23)","","2014-10-30","2016-01-15","5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2016-01-20"],["UI4","4-pyridin-2-ylphenol","C11 H9 N O","Oc1ccc(cc1)c2ccccn2;c1ccnc(c1)c2ccc(cc2)O","InChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H","","2023-02-06","2024-02-16","4-pyridin-2-ylphenol","2024-02-21"],["BKJ","1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","C26 H28 N6 O2","C6CC(n5c1CCN(C(C)=O)Cc1c(c2cccc3c2cnc(c3)c4cnn(c4)C)n5)CCO6;Cn1cc(cn1)c2cc3cccc(c3cn2)c4nn(C5CCOCC5)c6CCN(Cc46)C(C)=O;CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1","InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3","","2017-08-09","2018-10-12","1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","2018-10-17"],["BKK","(2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","C20 H17 Cl F3 N3 O4 S","OC[CH]1O[CH](Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4;c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O","InChI=1S/C20H17ClF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20+/m1/s1","","2017-10-10","2018-08-17","(2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol","2018-08-22"],["UI5","(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol","C6 H13 N O3","N[CH]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C(C1O)O)CO)N","InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1","","2023-09-05","2024-09-27","(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol","2023-12-13"],["BKL","(1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione","C28 H37 Cl N2 O8","C2C(N(c1c(Cl)c(OC)cc(c1)CC(=CC=CC(C4(NC(OC(C(C3C(C)(C2O)O3)C)C4)=O)O)OC)C)C)=O;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](O)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)O)C)C)OC)(NC(=O)O2)O","InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21-,22+,25-,27-,28-/m0/s1","","2019-02-13","2021-07-02","(1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione","2021-07-07"],["UI6","2-{[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name)","C56 H86 F N9 O15","Cn1nc(nn1)c1ccc(cn1)c1ccc(cc1F)N1CC(OC1=O)CNC(=O)CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)CC(=O)NC[CH]4CN(C(=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7)[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O;CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O","InChI=1S/C56H86FN9O15/c1-15-42-56(10,74)47(69)33(6)63(11)26-29(2)22-54(8,73)49(31(4)46(32(5)51(71)79-42)80-44-23-55(9,75-14)48(70)34(7)77-44)81-52-45(68)41(20-30(3)76-52)64(12)28-43(67)59-25-37-27-66(53(72)78-37)36-17-18-38(39(57)21-36)35-16-19-40(58-24-35)50-60-62-65(13)61-50/h16-19,21,24,29-34,37,41-42,44-49,52,68-70,73-74H,15,20,22-23,25-28H2,1-14H3,(H,59,67)/t29-,30-,31+,32-,33-,34+,37+,41+,42-,44+,45-,46+,47-,48+,49-,52+,54-,55-,56-/m1/s1","","2022-08-18","2023-06-23","2-{[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name)","2023-06-28"],["BKM","(2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid","C33 H52 O11","C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)O)=O)O)C)=O)CC;CCC(C=C)=CC(=O)C[CH](C)C[CH](C)CC[CH](O)[CH](C)C(=O)C[CH](O)[CH](C)[CH](C)OC(=O)C[CH](O)C(C(O)=O)=C(C)C(O)=O;CCC(=CC(=O)CC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)O)O)C=C","InChI=1S/C33H52O11/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)44-30(39)17-29(38)31(33(42)43)22(7)32(40)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3,(H,40,41)(H,42,43)/b24-15-,31-22-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1","Tautomycetin diacid form","2017-08-10","2024-09-27","(2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid","2017-11-29"],["UI7","N-[3-(hydroxymethyl)phenyl]ethanamide","C9 H11 N O2","CC(=O)Nc1cccc(CO)c1;CC(=O)Nc1cccc(c1)CO","InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-5,11H,6H2,1H3,(H,10,12)","","2023-02-06","2024-02-16","~{N}-[3-(hydroxymethyl)phenyl]ethanamide","2024-02-21"],["BKN","ethyl 5-oxohexanoate","C8 H14 O3","CCOC(=O)CCCC(C)=O;CCOC(=O)CCCC(=O)C","InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3","","2017-10-10","2018-10-26","ethyl 5-oxidanylidenehexanoate","2018-10-31"],["UI8","7-$l^{3}-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine","C14 H12 B N2 O","O[B]12N=Cc3ccccc3N1Cc4ccccc24;B12(c3ccccc3CN1c4ccccc4C=N2)O","InChI=1S/C14H12BN2O/c18-15-13-7-3-1-6-12(13)10-17(15)14-8-4-2-5-11(14)9-16-15/h1-9,18H,10H2","","2023-06-02","2025-03-06","7-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine","2025-03-05"],["BKO","1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{E})-2-phenylethenyl]phenoxy]butan-1-one","C26 H30 N2 O4 S","O[CH]1C[CH](N(C1)C(=O)CCCOc2ccccc2C=Cc3ccccc3)C(=O)N4CCSC4;c1ccc(cc1)C=Cc2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O","InChI=1S/C26H30N2O4S/c29-22-17-23(26(31)27-14-16-33-19-27)28(18-22)25(30)11-6-15-32-24-10-5-4-9-21(24)13-12-20-7-2-1-3-8-20/h1-5,7-10,12-13,22-23,29H,6,11,14-19H2/b13-12+","","2019-02-14","2020-01-31","1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{E})-2-phenylethenyl]phenoxy]butan-1-one","2020-02-05"],["UI9","2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide","C19 H17 Cl F N7 O3","O=C(NCC1CN(C(=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1)CCl;Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[CH](CNC(=O)CCl)OC4=O;Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CNC(=O)CCl","InChI=1S/C19H17ClFN7O3/c1-27-25-18(24-26-27)16-5-2-11(8-22-16)14-4-3-12(6-15(14)21)28-10-13(31-19(28)30)9-23-17(29)7-20/h2-6,8,13H,7,9-10H2,1H3,(H,23,29)/t13-/m0/s1","","2022-08-18","2023-06-23","2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide","2023-06-28"],["UIA","[(2~{R})-1-azanylpropan-2-yl]carbamic acid","C4 H10 N2 O2","C[CH](CN)NC(O)=O;CC(CN)NC(=O)O","InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1","","2019-10-12","2024-09-27","[(2~{R})-1-azanylpropan-2-yl]carbamic acid","2021-02-17"],["BKP","5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine","C10 H17 N5 O17 P4","P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C(C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O;NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N","InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","2017-08-14","2019-01-11","5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine","2019-01-16"],["UIB","(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE","C26 H32 N4 O3","O=C1N(C(CC)C3C1C(c2ccc(C(=[N@H])N)cc2)N(C)C3(C)C)Cc4ccc5OCOc5c4;CC[CH]1[CH]2[CH]([CH](N(C)C2(C)C)c3ccc(cc3)C(N)=N)C(=O)N1Cc4ccc5OCOc5c4;CCC1C2C(C(N(C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5","InChI=1S/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18-,21+,22-,23+/m1/s1","","2003-08-05","2011-06-04","4-[(1R,3aS,4R,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide",""],["BKQ","ethyl levulinate","C7 H12 O3","CCOC(=O)CCC(C)=O;CCOC(=O)CCC(=O)C","InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3","","2017-10-10","2018-10-26","ethyl 4-oxidanylidenepentanoate","2018-10-31"],["BKR","Deacetyltaxol","C45 H49 N O13","O=C(NC(C(O)C(OC3C(C)=C4C(C(C2(C(O)CC1OCC1(OC(=O)C)C2C(C(C3)(C4(C)C)O)OC(c5ccccc5)=O)C)=O)O)=O)c6ccccc6)c7ccccc7;CC(=O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[CH](OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](O)[CH](NC(=O)c6ccccc6)c7ccccc7)C(=C([CH](O)C3=O)C5(C)C)C;CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O","InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1","","2019-02-14","2020-02-21","(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(benzenecarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate","2020-02-26"],["UIC","(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE","C29 H40 N2 O7 S","O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc(cc4)CO","InChI=1/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1/f/h30H","","2006-05-23","2008-10-14","(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate",""],["BKS","5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C18 H12 Cl N3 O","Clc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)cc4;Clc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O)c24;c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl","InChI=1S/C18H12ClN3O/c19-13-8-6-12(7-9-13)15-10-22(14-4-2-1-3-5-14)17-16(15)18(23)21-11-20-17/h1-11H,(H,20,21,23)","","2014-10-30","2016-01-15","5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2016-01-20"],["UID","ethyl (E)-3-(4-aminophenyl)prop-2-enoate","C11 H13 N O2","CCOC(=O)C=Cc1ccc(N)cc1;CCOC(=O)C=Cc1ccc(cc1)N","InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+","","2023-02-06","2024-02-16","ethyl (~{E})-3-(4-aminophenyl)prop-2-enoate","2024-02-21"],["BKU","(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)","C38 H54 Cl N3 O10 S2","c42cc(OC)c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C(OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C(=O)CC(C)(C)SSC)c4;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CC(C)(C)SSC)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O","InChI=1S/C38H54ClN3O10S2/c1-21-13-12-14-28(49-10)38(47)19-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)31(44)20-36(4,5)54-53-11)18-30(43)42(8)25-16-24(15-21)17-26(48-9)32(25)39/h12-14,16-17,22-23,27-29,33,47H,15,18-20H2,1-11H3,(H,40,46)/b14-12+,21-13+/t22-,23-,27-,28-,29-,33-,37+,38+/m0/s1","","2019-02-20","2022-02-18","(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)","2022-02-23"],["UIE","2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid","C22 H23 N3 O6 S2","N[S](=O)(=O)c1ccc(CN(Cc2cccc(NCC(O)=O)c2)[S](=O)(=O)c3ccccc3)cc1;c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)NCC(=O)O","InChI=1S/C22H23N3O6S2/c23-32(28,29)20-11-9-17(10-12-20)15-25(33(30,31)21-7-2-1-3-8-21)16-18-5-4-6-19(13-18)24-14-22(26)27/h1-13,24H,14-16H2,(H,26,27)(H2,23,28,29)","","2023-09-05","2024-09-06","2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid","2024-09-11"],["UIF","[(2~{S},3~{S},4~{R},6~{R})-4-[[2-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-amino]-6-methyl-2-(phenylcarbonyloxy)oxan-3-yl] benzoate","C40 H39 F N8 O8","O=C(OC1OC(C)CC(C1OC(=O)c1ccccc1)N(C)CC(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c(F)c2)C(=O)O1)c1ccccc1;CC1CC(C(OC(=O)c2ccccc2)C(O1)OC(=O)c3ccccc3)N(C)CC(=O)NC[CH]4CN(C(=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7;CC1CC(C(C(O1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc6)c7nnn(n7)C","InChI=1S/C40H39FN8O8/c1-24-18-33(35(56-37(51)25-10-6-4-7-11-25)39(54-24)57-38(52)26-12-8-5-9-13-26)47(2)23-34(50)43-21-29-22-49(40(53)55-29)28-15-16-30(31(41)19-28)27-14-17-32(42-20-27)36-44-46-48(3)45-36/h4-17,19-20,24,29,33,35,39H,18,21-23H2,1-3H3,(H,43,50)/t24?,29-,33?,35?,39?/m0/s1","","2022-08-18","2023-06-23","2-(benzoyloxy)-4-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl](methyl)amino}-6-methyloxan-3-yl benzoate (non-preferred name)","2023-06-28"],["BKV","7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C18 H12 Br N3 O","Brc1ccc(cc1)n3cc(c2C(=O)NC=Nc23)c4ccccc4;Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24;c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br","InChI=1S/C18H12BrN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)","","2014-10-30","2016-01-15","7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","2016-01-20"],["UIH","6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C18 H14 Br N5","Brc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccccc3)cc4;Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4ccccc4)n1;c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N","InChI=1S/C18H14BrN5/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(20)23-18(21)24-17(14)22-15/h1-9H,(H5,20,21,22,23,24)","","2014-01-16","2015-01-16","6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["BKW","2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid","C21 H18 O5 S","COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(O)=O;COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O","InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)","","2017-10-10","2018-05-11","2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid","2018-05-16"],["BKX","(1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)","C36 H50 Cl N3 O10 S2","c42cc(c(Cl)c(N(C)C(CC(C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(=O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)OC;CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O","InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28-,32-,35-,36+/m1/s1","","2019-02-20","2021-07-02","(1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)","2021-07-07"],["UII","2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid","C17 H21 N3 O6 S2","C[S](=O)(=O)N(Cc1ccc(cc1)[S](N)(=O)=O)Cc2cccc(NCC(O)=O)c2;CS(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)N)Cc2cccc(c2)NCC(=O)O","InChI=1S/C17H21N3O6S2/c1-27(23,24)20(11-13-5-7-16(8-6-13)28(18,25)26)12-14-3-2-4-15(9-14)19-10-17(21)22/h2-9,19H,10-12H2,1H3,(H,21,22)(H2,18,25,26)","","2023-09-05","2024-09-06","2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid","2024-09-11"],["BKY","4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid","C24 H16 O5","c1(ccc(cc1)COc2c(cccc2)C=C4/C(c3c(cccc3)C4=O)=O)C(O)=O;OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C3=O)cc1;c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O","InChI=1S/C24H16O5/c25-22-18-6-2-3-7-19(18)23(26)20(22)13-17-5-1-4-8-21(17)29-14-15-9-11-16(12-10-15)24(27)28/h1-13H,14H2,(H,27,28)","","2017-08-14","2018-02-09","4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid","2018-02-14"],["UIJ","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol","C21 H31 N5 O7","OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(C)on1;Cc1onc(n1)c2ccc(NCCCCCCN3C[CH](O)[CH](O)[CH](O)[CH]3CO)c(c2)[N+]([O-])=O;Cc1nc(no1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN3CC(C(C(C3CO)O)O)O","InChI=1S/C21H31N5O7/c1-13-23-21(24-33-13)14-6-7-15(16(10-14)26(31)32)22-8-4-2-3-5-9-25-11-18(28)20(30)19(29)17(25)12-27/h6-7,10,17-20,22,27-30H,2-5,8-9,11-12H2,1H3/t17-,18+,19-,20-/m1/s1","","2022-08-19","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol","2023-02-22"],["BKZ","4-(4-hydroxyphenyl)butan-2-one","C10 H12 O2","CC(=O)CCc1ccc(O)cc1;CC(=O)CCc1ccc(cc1)O","InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3","","2017-10-10","2018-10-19","4-(4-hydroxyphenyl)butan-2-one","2018-10-24"],["UIK","[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol","C22 H22 N4 O","CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4;Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(cc4)CO","InChI=1S/C22H22N4O/c1-15-4-3-5-17(10-15)12-26(2)22-19-11-20(25-21(19)23-14-24-22)18-8-6-16(13-27)7-9-18/h3-11,14,27H,12-13H2,1-2H3,(H,23,24,25)","","2023-02-06","2023-05-19","[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol","2023-05-24"],["UIL","[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid","C7 H16 N2 O2","CC(C)C[CH](CN)NC(O)=O;CC(C)CC(CN)NC(=O)O","InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m1/s1","","2019-10-14","2024-09-27","[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid","2021-02-17"],["BL0","1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide","C5 H10 N4 O2 S2","O=S(=O)(N)Cc1nnc(s1)N(C)C;CN(C)c1sc(C[S](N)(=O)=O)nn1;CN(C)c1nnc(s1)CS(=O)(=O)N","InChI=1S/C5H10N4O2S2/c1-9(2)5-8-7-4(12-5)3-13(6,10)11/h3H2,1-2H3,(H2,6,10,11)","2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide","2007-12-11","2021-03-13","1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide",""],["UIM","N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide","C28 H27 N7 O2","CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)cc1;CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncnc(N)c3c2c4ccc(Oc5nccc(C)n5)cc4;Cc1ccnc(n1)Oc2ccc(cc2)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C)C)C)N","InChI=1S/C28H27N7O2/c1-16(2)27(36)34-20-9-5-19(6-10-20)24-22(23-25(29)31-15-32-26(23)35(24)4)18-7-11-21(12-8-18)37-28-30-14-13-17(3)33-28/h5-16H,1-4H3,(H,34,36)(H2,29,31,32)","","2023-09-05","2024-09-27","N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide","2024-02-14"],["BL1","4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide","C16 H16 Cl N3 O3 S","O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C;C[CH]1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)[S](N)(=O)=O;CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl","InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m0/s1","Indapamide","2007-12-11","2020-06-17","4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide",""],["BL2","N-(tert-butoxycarbonyl)-L-leucine","C11 H21 N O4","O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C;CC(C)C[CH](NC(=O)OC(C)(C)C)C(O)=O;CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C","InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1","","2012-05-31","2024-09-27","N-(tert-butoxycarbonyl)-L-leucine","2013-05-22"],["UIN","5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE","C20 H24 O3","O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCCCC3;CC[CH](c1ccccc1)C2=C(O)C3=C(CCCCCC3)OC2=O;CCC(c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O","InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3/t15-/m0/s1","","1999-07-08","2011-06-04","4-hydroxy-3-[(1S)-1-phenylpropyl]-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-2-one",""],["BL3","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy\nl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H34 N4 O6","Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C=C)C;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H34N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)33(43)37-27/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-","BILIVERDIN XIII ALPHA","2009-07-21","2020-06-17","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["UIO","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol","C26 H38 N6 O7","OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(ncc1)N1CCOCC1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)c3ccnc(n3)N4CCOCC4;c1cc(c(cc1c2ccnc(n2)N3CCOCC3)[N+](=O)[O-])NCCCCCCN4CC(C(C(C4CO)O)O)O","InChI=1S/C26H38N6O7/c33-17-22-24(35)25(36)23(34)16-31(22)10-4-2-1-3-8-27-20-6-5-18(15-21(20)32(37)38)19-7-9-28-26(29-19)30-11-13-39-14-12-30/h5-7,9,15,22-25,27,33-36H,1-4,8,10-14,16-17H2/t22-,23+,24-,25-/m1/s1","","2022-08-19","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol","2023-02-22"],["BL4","(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","C18 H16 N2 O2","O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O)C;Cc1cccc2N=C3N(CC[C]3(O)C(=O)c12)c4ccccc4;Cc1cccc2c1C(=O)C3(CCN(C3=N2)c4ccccc4)O","InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1","S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one","2008-01-19","2020-06-17","(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",""],["UIP","(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE","C26 H30 N4 O3","O=C1N(C(CC)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5;CC[CH]1[CH]2[CH]3CCCN3[CH]([CH]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N;CCC1C2C3CCCN3C(C2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N","InChI=1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18-,19+,22+,23+,24+/m1/s1","","2003-06-26","2011-06-04","4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["BL5","2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE","C38 H62 N8 O4","O=C(Nc1ccccc1)C(NC(=O)C(CCCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)CCCC)CCCCN;CCCC[CH](CNNC[CH](CCCC)C(=O)N[CH](CCCCN)C(=O)Nc1ccccc1)C(=O)N[CH](CCCCN)C(=O)Nc2ccccc2;CCCCC(CNNCC(CCCC)C(=O)NC(CCCCN)C(=O)Nc1ccccc1)C(=O)NC(CCCCN)C(=O)Nc2ccccc2","InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30-,33-,34-/m0/s1","","2003-12-02","2011-06-04","(2S,2'S)-2,2'-(hydrazine-1,2-diylbis{methanediyl[(2S)-1-oxohexane-2,1-diyl]imino})bis(6-amino-N-phenylhexanamide) (non-preferred name)",""],["UIQ","(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE","C27 H32 N4 O3","O=C1N(C(C(C)C)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5;CC(C)[CH]1[CH]2[CH]3CCCN3[CH]([CH]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N;[H]N=C(c1ccc(cc1)C2C3C(C4N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)N","InChI=1S/C27H32N4O3/c1-15(2)24-22-19-4-3-11-30(19)25(17-6-8-18(9-7-17)26(28)29)23(22)27(32)31(24)13-16-5-10-20-21(12-16)34-14-33-20/h5-10,12,15,19,22-25H,3-4,11,13-14H2,1-2H3,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1","","2003-06-26","2011-06-04","4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["BL6","(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","C18 H16 N2 O2","O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C;Cc1ccc2C(=O)[C]3(O)CCN(c4ccccc4)C3=Nc2c1;Cc1ccc2c(c1)N=C3C(C2=O)(CCN3c4ccccc4)O","InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1","S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","2008-01-19","2021-03-13","(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",""],["UIR","(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE","C27 H30 N4 O3","O=C2N(C(C1CC1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC45)Cc6ccc7OCOc7c6;NC(=N)c1ccc(cc1)[CH]2[CH]3[CH]([CH]4CCCN24)[CH](C5CC5)N(Cc6ccc7OCOc7c6)C3=O;c1cc(ccc1C2C3C(C4N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N","InChI=1S/C27H30N4O3/c28-26(29)18-8-6-17(7-9-18)25-23-22(19-2-1-11-30(19)25)24(16-4-5-16)31(27(23)32)13-15-3-10-20-21(12-15)34-14-33-20/h3,6-10,12,16,19,22-25H,1-2,4-5,11,13-14H2,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1","","2003-07-16","2011-06-04","4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["UIS","N-[3-(diethylamino)phenyl]ethanamide","C12 H18 N2 O","CCN(CC)c1cccc(NC(C)=O)c1;CCN(CC)c1cccc(c1)NC(=O)C","InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)","","2023-02-06","2024-02-16","~{N}-[3-(diethylamino)phenyl]ethanamide","2024-02-21"],["BL7","(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","C17 H14 N2 O2","O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4;O[C]12CCN(c3ccccc3)C1=Nc4ccccc4C2=O;c1ccc(cc1)N2CCC3(C2=Nc4ccccc4C3=O)O","InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1","(S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one","2008-01-19","2021-03-13","(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",""],["BL8","3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20-/m1/s1","","2015-03-16","2024-09-27","3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2015-12-09"],["UIT","(2R)-2-oxidanyloctanoic acid","C8 H16 O3","CCCCCC[CH](O)C(O)=O;CCCCCCC(C(=O)O)O","InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1","","2023-06-03","2023-10-13","(2~{R})-2-oxidanyloctanoic acid","2023-10-18"],["BLA","BILIVERDINE IX ALPHA","C33 H34 N4 O6","Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-","","1999-07-08","2024-09-27","3-{2-((Z)-{3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid",""],["UIU","N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide","C59 H85 F N8 O14 S","Oc1ccc(cc1)CC(NC(C)=O)C(=O)NC(CCSC)C(=O)Nc1cccc(c1)c1cn(nn1)CCCCN1C(=O)OC2(C)C(OC(=O)C(C)(F)C(=O)C(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)(OC)CC(C)C(=O)C(C)C12)CC;CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6)NC(C)=O)c5)C(=O)O[C]13C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CCSC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C)C","InChI=1S/C59H85FN8O14S/c1-14-46-59(9)49(35(4)47(71)33(2)31-57(7,78-12)51(36(5)50(73)58(8,60)55(76)80-46)81-54-48(72)45(66(10)11)28-34(3)79-54)68(56(77)82-59)26-16-15-25-67-32-44(64-65-67)39-18-17-19-40(30-39)62-52(74)42(24-27-83-13)63-53(75)43(61-37(6)69)29-38-20-22-41(70)23-21-38/h17-23,30,32-36,42-43,45-46,48-49,51,54,70,72H,14-16,24-29,31H2,1-13H3,(H,61,69)(H,62,74)(H,63,75)/t33-,34-,35+,36+,42+,43+,45+,46-,48-,49-,51-,54+,57-,58+,59-/m1/s1","L-linker solithromycin conjugate","2022-08-19","2023-06-23","N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide","2023-06-28"],["BLB","BLEOMYCIN B2","C55 H85 N20 O21 S2","O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C(=O)NCCCCNC(=[NH2+])N)cs3)C(O)C)C)C(OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc6)C)CC(=O)N;C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N)C(N)=O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](OC(N)=O)[CH]3O)c4c[nH]cn4)C(=O)NCCc5scc(n5)c6scc(n6)C(=O)NCCCCNC(N)=[NH2+];Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O","InChI=1S/C55H84N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/p+1/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1","","2000-11-21","2011-06-04","amino[(4-{[(2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-13-[(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbonyl]amino}butyl)amino]methaniminium (non-preferred name)",""],["UIV","~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide","C13 H21 N3 O","Cn1cc(CN(C)C(=O)C2CCCCC2)cn1;Cn1cc(cn1)CN(C)C(=O)C2CCCCC2","InChI=1S/C13H21N3O/c1-15(9-11-8-14-16(2)10-11)13(17)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3","","2023-02-06","2024-02-16","~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide","2024-02-21"],["BLD","Brassinolide","C28 H48 O6","O=C1OCC3C(C2(C1CC(O)C(O)C2)C)CCC4(C)C(C(C)C(O)C(O)C(C)C(C)C)CCC34;CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3COC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C;CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O","InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1","(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dime\nthylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one","2011-04-19","2020-06-17","(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one",""],["UIW","5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide","C21 H18 Br F N4 O2","Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC;CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(Br)c3)c1;Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)Br)F","InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29)","","2023-09-05","2023-11-17","5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide","2023-11-22"],["UIX","[(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate","C42 H58 O5","CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O)C1;CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C","InChI=1S/C42H58O5/c1-30(18-14-20-32(3)22-23-37-38(6,7)28-36(46-34(5)43)29-40(37,10)45)16-12-13-17-31(2)19-15-21-33(4)24-25-42-39(8,9)26-35(44)27-41(42,11)47-42/h12-22,24-25,35-36,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,25-24+,30-16+,31-17+,32-20+,33-21+/t23-,35-,36-,40+,41+,42-/m0/s1","Dinoxanthin","2023-06-06","2024-02-23","[(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate","2024-02-28"],["BLE","LEUCINE BORONIC ACID","C5 H14 B N O2","OB(O)C(N)CC(C)C;CC(C)C[CH](N)B(O)O;B(C(CC(C)C)N)(O)O","InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t5-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-amino-3-methylbutyl]boronic acid",""],["UIY","AB-8939","C22 H24 N4 O3","CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1;CCOCc1ccc(c(c1)Nc2ncc(o2)c3ccc(cc3)N4CCNC4=O)C","InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)","1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one","2023-02-06","2024-11-11","1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one","2024-08-14"],["BLF","6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide","C31 H29 Cl2 N5 O2","Clc1ccc(cc1)Cn3cnc(c2ccccc2)c3c5c4ccc(Cl)cc4nc5C(=O)NCCN6CCOCC6;Clc1ccc(Cn2cnc(c3ccccc3)c2c4c([nH]c5cc(Cl)ccc45)C(=O)NCCN6CCOCC6)cc1;c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl","InChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39)","","2012-02-01","2012-04-27","6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide",""],["BLG","4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE","C16 H30 N3 O14 S2","O=S(=O)(O)CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C(CO)[NH2+]2;CC(=O)N[CH]1[CH](O)[CH](O[S](O)(=O)=O)[CH](CO)O[CH]1O[CH]2C[CH]([NH2+][CH]2CO)C(=O)NCC[S](O)(=O)=O;CC(=O)NC1C(C(C(OC1OC2CC([NH2+]C2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O","InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1","BULGECIN A","1999-07-08","2021-03-01","(2R,3S,5S)-2-(hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]pyrrolidinium-3-yl 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranoside",""],["UIZ","(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE","C31 H32 N4 O3","O=C2N(C(Cc1ccccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC45)Cc6ccc7OCOc7c6;NC(=N)c1ccc(cc1)[CH]2[CH]3[CH]([CH]4CCCN24)[CH](Cc5ccccc5)N(Cc6ccc7OCOc7c6)C3=O;[H]N=C(c1ccc(cc1)C2C3C(C4N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)N","InChI=1S/C31H32N4O3/c32-30(33)22-11-9-21(10-12-22)29-28-27(23-7-4-14-34(23)29)24(15-19-5-2-1-3-6-19)35(31(28)36)17-20-8-13-25-26(16-20)38-18-37-25/h1-3,5-6,8-13,16,23-24,27-29H,4,7,14-15,17-18H2,(H3,32,33)/t23-,24?,27+,28-,29-/m0/s1","","2005-02-03","2011-06-04","4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide",""],["BLI","4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE","C22 H32 N6 O5 S","O=S(=O)(N3CC(=O)N2C(C(=O)NCC1CCN(C(=NO)/N)CC1)CCC2C3)Cc4ccccc4;NC(=NO)N1CC[CH](CC1)CNC(=O)[CH]2CC[CH]3CN(CC(=O)N23)[S](=O)(=O)Cc4ccccc4;c1ccc(cc1)CS(=O)(=O)N2CC3CCC(N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N","InChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1","","2001-11-08","2011-06-04","(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide",""],["UJ0","N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide","C19 H22 F2 N2 O2","Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O)NC3CCCC3;C=CC(=O)N(C1CC1)C(c2cc(cc(c2)F)F)C(=O)NC3CCCC3","InChI=1S/C19H22F2N2O2/c1-2-17(24)23(16-7-8-16)18(12-9-13(20)11-14(21)10-12)19(25)22-15-5-3-4-6-15/h2,9-11,15-16,18H,1,3-8H2,(H,22,25)/t18-/m1/s1","","2023-06-07","2024-06-07","~{N}-[(1~{R})-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-~{N}-cyclopropyl-prop-2-enamide","2024-06-12"],["UJ1","N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C26 H33 N5 O2","N(c1c(cccc1C)CC)C(=O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3;CCC(=O)N([CH](C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3cc([nH]n3)C(C)(C)C;CCc1cccc(c1NC(=O)C(c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C","InChI=1S/C26H33N5O2/c1-7-18-12-9-11-17(3)23(18)28-25(33)24(19-13-10-14-27-16-19)31(22(32)8-2)21-15-20(29-30-21)26(4,5)6/h9-16,24H,7-8H2,1-6H3,(H,28,33)(H,29,30)/t24-/m1/s1","","2020-05-18","2024-09-27","N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-05-27"],["BLJ","(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid","C5 H12 As N O4","[As](CCC(C(=O)O)N)(=O)(O)C;C[As](O)(=O)CC[CH](N)C(O)=O;C[As](=O)(CCC(C(=O)O)N)O","InChI=1S/C5H12AsNO4/c1-6(10,11)3-2-4(7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1","","2017-08-14","2018-10-05","(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid","2018-10-10"],["BLK","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate","C21 H34 N7 O10 P","O=C(OC(C)(C)C)NCCCCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CC(C)(C)OC(=O)NCCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(C)OC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C21H34N7O10P/c1-21(2,3)37-20(32)24-7-5-4-6-11(22)19(31)38-39(33,34)35-8-12-14(29)15(30)18(36-12)28-10-27-13-16(23)25-9-26-17(13)28/h9-12,14-15,18,29-30H,4-8,22H2,1-3H3,(H,24,32)(H,33,34)(H2,23,25,26)/t11-,12+,14+,15+,18+/m0/s1","","2012-05-01","2012-12-28","5'-O-[(R)-({(2S)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine","2012-12-28"],["UJ2","2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid","C22 H18 N2 O3","CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4ccccc4;COC(c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O","InChI=1S/C22H18N2O3/c1-27-20(16-9-7-15(8-10-16)14-5-3-2-4-6-14)21-23-18-12-11-17(22(25)26)13-19(18)24-21/h2-13,20H,1H3,(H,23,24)(H,25,26)/t20-/m0/s1","","2021-02-23","2021-09-17","2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid","2021-09-22"],["BLL","(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE","C40 H44 N2 O6","O=C(NC2c1ccccc1CC2O)C(CCc3ccccc3)C(O)C(O)C(C(=O)NC5c4ccccc4CC5O)CCc6ccccc6;O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](CCc3ccccc3)[CH](O)[CH](O)[CH](CCc4ccccc4)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc(cc1)CCC(C(C(C(CCc2ccccc2)C(=O)NC3c4ccccc4CC3O)O)O)C(=O)NC5c6ccccc6CC5O","InChI=1S/C40H44N2O6/c43-33-23-27-15-7-9-17-29(27)35(33)41-39(47)31(21-19-25-11-3-1-4-12-25)37(45)38(46)32(22-20-26-13-5-2-6-14-26)40(48)42-36-30-18-10-8-16-28(30)24-34(36)44/h1-18,31-38,43-46H,19-24H2,(H,41,47)(H,42,48)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1","","2004-11-02","2011-06-04","(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide (non-preferred name)",""],["UJ3","1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea","C22 H22 F N3 O3","CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc4ccc(F)cc4c3C;Cc1c2cc(ccc2oc1C(C(C)C)NC(=O)Nc3ccc4c(c3)CNC4=O)F","InChI=1S/C22H22FN3O3/c1-11(2)19(20-12(3)17-9-14(23)4-7-18(17)29-20)26-22(28)25-15-5-6-16-13(8-15)10-24-21(16)27/h4-9,11,19H,10H2,1-3H3,(H,24,27)(H2,25,26,28)/t19-/m0/s1","SCHEMBL24756013","2023-09-08","2024-04-12","1-[(1~{S})-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea","2024-04-17"],["BLM","BLEOMYCIN A2","C55 H85 N17 O21 S3","O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C(=O)NCCCS(C)C)cs3)C(O)C)C)C(OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc6)C)CC(=O)N;C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N)C(N)=O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](OC(N)=O)[CH]3O)c4c[nH]cn4)C(=O)NCCc5scc(n5)c6scc(n6)C(=O)NCCC[SH](C)C;Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O","InChI=1S/C55H85N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81,96H,7-13,15-16,56H2,1-6H3,(H2,57,76)(H2,59,82)(H2,60,88)(H,61,65)(H,62,84)(H,63,85)(H,66,87)(H,70,83)(H,71,86)(H2,58,69,72)/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1","N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE","1999-12-01","2020-06-17","(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(1R,2S,3S)-4-{[(1S,2R)-1-{[2-(4-{[3-(dimethyl-lambda~4~-sulfanyl)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]carbamoyl}-2-hydroxypropyl]amino}-2-hydroxy-1,3-dimethyl-4-oxobutyl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)",""],["UJ4","N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C27 H31 N3 O4","N(c1c(C)cc(cc1)OC)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(OC)C)C(CC)=O;CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3ccc(cc3)[CH](C)OC;CCC(=O)N(c1ccc(cc1)C(C)OC)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC","InChI=1S/C27H31N3O4/c1-6-25(31)30(22-11-9-20(10-12-22)19(3)33-4)26(21-8-7-15-28-17-21)27(32)29-24-14-13-23(34-5)16-18(24)2/h7-17,19,26H,6H2,1-5H3,(H,29,32)/t19-,26+/m0/s1","","2020-05-18","2024-09-27","N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-05-27"],["BLN","MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE","C21 H30 N4 O4","O=C(NC(C(=O)NC(C#N)COCc1ccccc1)CC(C)C)N2CCOCC2;CC(C)C[CH](NC(=O)N1CCOCC1)C(=O)N[CH](COCc2ccccc2)C#N;CC(C)CC(C(=O)NC(COCc1ccccc1)C#N)NC(=O)N2CCOCC2","InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1","","2002-10-04","2024-09-27","N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide",""],["UJ5","2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid","C19 H20 N2 O3","CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)C(C)C;CC(C)c1ccc(cc1)C(c2[nH]c3cc(ccc3n2)C(=O)O)OC","InChI=1S/C19H20N2O3/c1-11(2)12-4-6-13(7-5-12)17(24-3)18-20-15-9-8-14(19(22)23)10-16(15)21-18/h4-11,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m0/s1","","2021-02-23","2021-09-17","2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid","2021-09-22"],["UJ6","5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid","C17 H13 N O5","O=C2Nc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O;OC(=O)c1c(C[CH]2C(=O)Nc3ccccc23)ccc4OCOc14;c1ccc2c(c1)C(C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C17H13NO5/c19-16-11(10-3-1-2-4-12(10)18-16)7-9-5-6-13-15(23-8-22-13)14(9)17(20)21/h1-6,11H,7-8H2,(H,18,19)(H,20,21)/t11-/m0/s1","","2013-11-25","2013-11-29","5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid","2013-12-04"],["BLO","1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IMINO)METHYL](METHYL)AMINO}PENTANOYL]AMINO}-2,3,4-TRIDEOXY-D-ERYTHRO-HEX-2-ENOPYRANURONOSYL)-4-HYDROXYPYRIMIDIN-2(1H)-ONE","C17 H25 N7 O6","O=C1N=C(O)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C;CN(CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1C(O)=O)N2C=CC(=NC2=O)O)C(N)=N;[H]N=C(N)N(C)CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)O)N","InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9-,10-,13+,14-/m0/s1","DEAMINOHYDROXY BLASTICIDIN-S","2006-05-10","2021-03-01","1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxypyrimidin-2(1H)-one",""],["BLP","(5-HYDROXY-6-METHYL-4-((2-(2-(2-NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C17 H20 N5 O9 P","[O-][N+](=O)c1ccccc1C(=O)NCC(=O)NNCc2c(cnc(c2O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNNC(=O)CNC(=O)c2ccccc2[N+]([O-])=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O","InChI=1S/C17H20N5O9P/c1-10-16(24)13(11(6-18-10)9-31-32(28,29)30)7-20-21-15(23)8-19-17(25)12-4-2-3-5-14(12)22(26)27/h2-6,20,24H,7-9H2,1H3,(H,19,25)(H,21,23)(H2,28,29,30)","","2006-04-28","2011-06-04","(5-hydroxy-6-methyl-4-{[2-({[(2-nitrophenyl)carbonyl]amino}acetyl)hydrazino]methyl}pyridin-3-yl)methyl dihydrogen phosphate (non-preferred name)",""],["UJ7","(2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide","C35 H49 N5 O3 S","N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3CCCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N=6;C[CH]1N=C(O[CH]1c2ccccc2)N3CCN([CH](C3)C(=O)NCc4sccc4)C(=O)[CH](CC5CCCCC5)NC6CCCCC6;CC1C(OC(=N1)N2CCN(C(C2)C(=O)NCc3cccs3)C(=O)C(CC4CCCCC4)NC5CCCCC5)c6ccccc6","InChI=1S/C35H49N5O3S/c1-25-32(27-14-7-3-8-15-27)43-35(37-25)39-19-20-40(31(24-39)33(41)36-23-29-18-11-21-44-29)34(42)30(22-26-12-5-2-6-13-26)38-28-16-9-4-10-17-28/h3,7-8,11,14-15,18,21,25-26,28,30-32,38H,2,4-6,9-10,12-13,16-17,19-20,22-24H2,1H3,(H,36,41)/t25-,30-,31+,32-/m1/s1","","2020-05-18","2021-05-14","(2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide","2021-05-19"],["BLQ","(3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid","C17 H15 N3 O6","O=C2C=CC(=N/Nc1ccc(C(=O)NCCC(=O)O)cc1)C=C2C(=O)O;OC(=O)CCNC(=O)c1ccc(NN=C2C=CC(=O)C(=C2)C(O)=O)cc1;c1cc(ccc1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O","InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-12+","balsalazide","2010-02-25","2020-06-17","(3E)-3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid",""],["UJ8","(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol","C17 H18 N2 O","CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2;CC(C)c1ccc(cc1)C(c2[nH]c3ccccc3n2)O","InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1","","2021-02-23","2021-09-17","(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol","2021-09-22"],["UJ9","Cefepime (open)","C19 H29 N6 O5 S2","CON=C(C(=O)N[CH](CO)[CH]1SC[CH](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3csc(N)n3;C[N+]1(CCCC1)CC2CSC(N=C2C(=O)O)C(CO)NC(=O)C(=NOC)c3csc(n3)N","InChI=1S/C19H28N6O5S2/c1-25(5-3-4-6-25)7-11-9-31-17(23-14(11)18(28)29)12(8-26)21-16(27)15(24-30-2)13-10-32-19(20)22-13/h10-12,17,26H,3-9H2,1-2H3,(H3-,20,21,22,27,28,29)/p+1/b24-15-/t11-,12-,17-/m1/s1","(2R,5S)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; Cefepimum (reacted)","2023-02-06","2024-09-27","(2~{R},5~{S})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2024-09-04"],["BLR","3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-","Bilirubin IX alpha","2015-01-26","2024-09-27","3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2015-02-04"],["BLS","BLASTICIDIN S","C17 H26 N8 O5","O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C;CN(CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1C(O)=O)N2C=CC(=NC2=O)N)C(N)=N;[H]N=C(N)N(C)CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N","InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1","","2001-11-09","2011-06-04","4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]pyrimidin-2(1H)-one",""],["UJA","(2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide","C32 H42 Cl N5 O3 S","C3N(c1oc2c(n1)cc(Cl)cc2)CCN(C3C(NCc4cccs4)=O)C(=O)C(CC5CCCCC5)NC6CCCCC6;Clc1ccc2oc(nc2c1)N3CCN([CH](C3)C(=O)NCc4sccc4)C(=O)[CH](CC5CCCCC5)NC6CCCCC6;c1cc(sc1)CNC(=O)C2CN(CCN2C(=O)C(CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl","InChI=1S/C32H42ClN5O3S/c33-23-13-14-29-26(19-23)36-32(41-29)37-15-16-38(28(21-37)30(39)34-20-25-12-7-17-42-25)31(40)27(18-22-8-3-1-4-9-22)35-24-10-5-2-6-11-24/h7,12-14,17,19,22,24,27-28,35H,1-6,8-11,15-16,18,20-21H2,(H,34,39)/t27-,28+/m1/s1","","2020-05-18","2021-05-14","(2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide","2021-05-19"],["BLT","1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT","C9 H18 O9 S Se","[O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1;OC[CH](O[S]([O-])([O-])[O-])[CH](O)C[Se+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([Se+]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O","InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,20+/m0/s1","DIASTEREOMER OF SELENO-SALACINOL","2004-06-22","2020-06-17","({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)",""],["UJB","(2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one","C19 H22 Cl F3 N4 O2 S","Clc1sc(cc1)CN4C3=NC(N2C(C)COCC2C)=CC(=O)N3CCC4C(F)(F)F;C[CH]1COC[CH](C)N1C2=CC(=O)N3CC[CH](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F)F;CC1COCC(N1C2=CC(=O)N3CCC(N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C","InChI=1S/C19H22ClF3N4O2S/c1-11-9-29-10-12(2)27(11)16-7-17(28)25-6-5-14(19(21,22)23)26(18(25)24-16)8-13-3-4-15(20)30-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,12-,14+/m1/s1","","2014-08-12","2014-11-21","(8S)-9-[(5-chlorothiophen-2-yl)methyl]-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one","2014-11-26"],["BLV","BILIVERDIN IX GAMMA CHROMOPHORE","C33 H34 N4 O6","CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(=CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C","InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15-","","1999-07-08","2011-06-04","3-(4-methyl-5-methylene-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid",""],["UJC","(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide","C25 H19 F4 N3 O3","FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1ccccc1C)C(=O)NC;CNC(=O)c1cc(NC(=O)c2cc(F)cc(c2)C(F)(F)F)c3[CH](NC(=O)c3c1)c4ccccc4C;Cc1ccccc1C2c3c(cc(cc3NC(=O)c4cc(cc(c4)F)C(F)(F)F)C(=O)NC)C(=O)N2","InChI=1S/C25H19F4N3O3/c1-12-5-3-4-6-17(12)21-20-18(24(35)32-21)9-14(22(33)30-2)10-19(20)31-23(34)13-7-15(25(27,28)29)11-16(26)8-13/h3-11,21H,1-2H3,(H,30,33)(H,31,34)(H,32,35)/t21-/m0/s1","","2023-09-05","2023-11-17","(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide","2023-11-22"],["BLY","LYSINE BORONIC ACID","C5 H16 B N2 O2","OB(O)C(N)CCCC[NH3+];N[CH](CCCC[NH3+])B(O)O;B(C(CCCC[NH3+])N)(O)O","InChI=1S/C5H15BN2O2/c7-4-2-1-3-5(8)6(9)10/h5,9-10H,1-4,7-8H2/p+1/t5-/m0/s1","","1999-07-08","2011-06-04","(5R)-5-amino-5-(dihydroxyboranyl)pentan-1-aminium",""],["UJD","1,3-dithiolane-2-carboxylic acid","C4 H6 O2 S2","C(C1SCCS1)(O)=O;OC(=O)C1SCCS1;C1CSC(S1)C(=O)O","InChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)","","2020-05-18","2021-09-24","1,3-dithiolane-2-carboxylic acid","2021-09-29"],["UJE","5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide","C14 H24 N4 O2 S","O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3CCNC3;C1CNCC1NC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C14H24N4O2S/c19-12(16-9-5-6-15-7-9)4-2-1-3-11-13-10(8-21-11)17-14(20)18-13/h9-11,13,15H,1-8H2,(H,16,19)(H2,17,18,20)/t9-,10-,11-,13-/m0/s1","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide","2021-02-23","2021-08-13","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide","2021-08-18"],["BLZ","5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE","C22 H20 Cl N3 O4 S","Clc1ccccc1C(Oc4c(sc(n3cnc2cc(OC)c(OC)cc23)c4)C(=O)N)C;COc1cc2ncn(c3sc(C(N)=O)c(O[CH](C)c4ccccc4Cl)c3)c2cc1OC;CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC","InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1","","2006-08-23","2011-06-04","3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-benzimidazol-1-yl)thiophene-2-carboxamide",""],["BM0","1-butyl-3-methyl-1H-imidazol-3-ium","C8 H15 N2","C(C)CCn1cc[n+](c1)C;CCCCn1cc[n+](C)c1;CCCCn1cc[n+](c1)C","InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1","1-butyl-3-methylimidazolium","2015-07-24","2020-06-17","1-butyl-3-methyl-1H-imidazol-3-ium","2015-11-04"],["UJF","4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol","C14 H14 I N O2","NCCc1ccc(Oc2ccc(O)cc2)c(I)c1;c1cc(ccc1O)Oc2ccc(cc2I)CCN","InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2","","2023-06-07","2023-11-10","4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol","2023-11-15"],["BM1","(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE","C17 H15 N O S","O=C2c1c(cccc1)C3(SCCN23)c4cccc(c4)C;Cc1cccc(c1)[C]23SCCN2C(=O)c4ccccc34;Cc1cccc(c1)C23c4ccccc4C(=O)N2CCS3","InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1","BM+21.1326","1999-07-20","2020-06-17","(9bR)-9b-(3-methylphenyl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one",""],["UJG","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C31 H41 N9 O15 P2 S","P(=O)(O)(OCC1OC(C(C1O)O)n2cnc3c(N)ncnc23)OP(OCC(C(C(CN5c7c(N(C=4C(NC(NC=45)=O)=O)C6CCCS6)cc(C)c(C)c7)O)O)O)(=O)O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N([CH]7CCCS7)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7CCCS7","InChI=1S/C31H41N9O15P2S/c1-13-6-15-16(7-14(13)2)40(20-4-3-5-58-20)22-28(36-31(47)37-29(22)46)38(15)8-17(41)23(43)18(42)9-52-56(48,49)55-57(50,51)53-10-19-24(44)25(45)30(54-19)39-12-35-21-26(32)33-11-34-27(21)39/h6-7,11-12,17-20,23-25,30,41-45H,3-5,8-10H2,1-2H3,(H,48,49)(H,50,51)(H2,32,33,34)(H2,36,37,46,47)/t17-,18+,19+,20+,23-,24+,25+,30+/m0/s1","","2020-05-18","2021-09-24","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2021-09-29"],["UJH","1-methoxy-4-oxoquinoline","C10 H9 N O2","CON1C=CC(=O)c2ccccc12;CON1C=CC(=O)c2c1cccc2","InChI=1S/C10H9NO2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3","1-methoxyquinolin-4-one","2021-02-23","2021-09-17","1-methoxyquinolin-4-one","2021-09-22"],["BM2","S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL]\nMETHYL]BUTANAMIDE","C23 H32 N6 O5 S","O=C(N1C(CNC(=O)CCCNC(=[N@H])N)CCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)CO;NC(=N)NCCCC(=O)NC[CH]1CCCN1C(=O)[CH](CO)N[S](=O)(=O)c2ccc3ccccc3c2;c1ccc2cc(ccc2c1)S(=O)(=O)NC(CO)C(=O)N3CCCC3CNC(=O)CCCNC(=N)N","InChI=1S/C23H32N6O5S/c24-23(25)26-11-3-8-21(31)27-14-18-7-4-12-29(18)22(32)20(15-30)28-35(33,34)19-10-9-16-5-1-2-6-17(16)13-19/h1-2,5-6,9-10,13,18,20,28,30H,3-4,7-8,11-12,14-15H2,(H,27,31)(H4,24,25,26)/t18-,20-/m0/s1","BMS-186282","1999-07-08","2020-06-17","4-carbamimidamido-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)butanamide",""],["UJI","tetrakis(oxidanyl)antimony","H4 O4 Sb","O[Sb](O)(O)O;O[Sb](O)(O)O","InChI=1S/4H2O.Sb.H/h4*1H2;;/q;;;;+4;/p-4","antimony oxyanion","2023-02-06","2023-07-07","tetrakis(oxidanyl)antimony","2023-07-12"],["BM3","2-acetamido-2-deoxy-alpha-D-mannopyranose","C8 H15 N O6","O=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8+/m1/s1","N-acetyl-alpha-D-mannosamine; 2-acetamido-2-deoxy-alpha-D-mannose; 2-acetamido-2-deoxy-D-mannose;\n2-acetamido-2-deoxy-mannose; 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANNOPYRANOSE","2006-08-03","2020-07-17","2-(acetylamino)-2-deoxy-alpha-D-mannopyranose",""],["BM4","3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol","C37 H58 N2 O2","Oc1cccc(c1)C2(CC)CCCCN(C2)CCCCCCCCCN4CCCCC(c3cccc(O)c3)(CC)C4;CC[C]1(CCCCN(CCCCCCCCCN2CCCC[C](CC)(C2)c3cccc(O)c3)C1)c4cccc(O)c4;CCC1(CCCCN(C1)CCCCCCCCCN2CCCCC(C2)(CC)c3cccc(c3)O)c4cccc(c4)O","InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37+","","2009-01-06","2011-06-04","3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol",""],["UJJ","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C30 H39 N9 O15 P2 S2","C1(C2=C(NC(=O)N1)N(c4cc(c(cc4N2C3SCCS3)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC5OC(C(C5O)O)n6cnc7c(N)ncnc67)=O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C7SCCS7)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7","InChI=1S/C30H39N9O15P2S2/c1-12-5-14-15(6-13(12)2)39(30-57-3-4-58-30)20-26(35-29(46)36-27(20)45)37(14)7-16(40)21(42)17(41)8-51-55(47,48)54-56(49,50)52-9-18-22(43)23(44)28(53-18)38-11-34-19-24(31)32-10-33-25(19)38/h5-6,10-11,16-18,21-23,28,30,40-44H,3-4,7-9H2,1-2H3,(H,47,48)(H,49,50)(H2,31,32,33)(H2,35,36,45,46)/t16-,17+,18+,21-,22+,23+,28+/m0/s1","","2020-05-18","2021-09-24","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2021-09-29"],["BM5","(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER","C18 H15 N O3 S","O=C2c1c(cccc1)C3(SCC(N23)C(=O)OC)c4ccccc4;COC(=O)[CH]1CS[C]2(N1C(=O)c3ccccc23)c4ccccc4;COC(=O)C1CSC2(N1C(=O)c3c2cccc3)c4ccccc4","InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1","BM +50.0934","1999-07-20","2021-03-01","methyl (3R,9bR)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate",""],["UJK","1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid","C10 H9 N3 O2","Cc1ccccc1n2cc(nn2)C(O)=O;Cc1ccccc1n2cc(nn2)C(=O)O","InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)","1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid,  1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104","2021-02-24","2021-09-08","1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid","2021-04-07"],["BM6","4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID","C24 H27 O4","[O-]C(=O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CCC4(C)C;CC1(C)CCC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C([O-])=O;CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C","InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)/p-1","BMS649","2002-09-27","2020-06-17","4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate",""],["UJL","1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine","C9 H13 N O S","CNC[CH]1OCCc2ccsc12;CNCC1c2c(ccs2)CCO1","InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1","Ulotaront; SEP-363856 ; SEP-856","2023-06-07","2023-11-10","1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine","2023-11-15"],["BM7","2-acetamido-2-deoxy-beta-D-mannopyranose","C8 H15 N O6","C1(OC(C(C(C1NC(=O)C)O)O)CO)O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1","N-acetyl-beta-D-mannosamine; 2-acetamido-2-deoxy-beta-D-mannose; 2-acetamido-2-deoxy-D-mannose;\n2-acetamido-2-deoxy-mannose; 2-(acetylamino)-2-deoxy-beta-D-mannopyranose","2015-05-13","2020-07-17","2-(acetylamino)-2-deoxy-beta-D-mannopyranose","2016-06-01"],["UJM","(2S)-thiolane-2-carboxylic acid","C5 H8 O2 S","C(O)(C1SCCC1)=O;OC(=O)[CH]1CCCS1;C1CC(SC1)C(=O)O","InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1","","2020-05-18","2021-09-24","(2S)-thiolane-2-carboxylic acid","2021-09-29"],["BM8","4-(1,3-benzothiazol-2-yl)-2-methyl-aniline","C14 H12 N2 S","Cc1cc(ccc1N)c2sc3ccccc3n2;Cc1cc(ccc1N)c2nc3ccccc3s2","InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3","","2017-10-10","2021-10-01","4-(1,3-benzothiazol-2-yl)-2-methyl-aniline","2021-10-06"],["UJN","[oxidanyl-[(2S,3R,5S,6S)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid","C14 H26 O23 P6","O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;c1ccc(cc1)COC2C(C(C(C(C2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C14H26O23P6/c15-38(16,17)7-39(18,19)33-12-13(36-42(26,27)28)10(34-40(20,21)22)9(32-6-8-4-2-1-3-5-8)11(35-41(23,24)25)14(12)37-43(29,30)31/h1-5,9-14H,6-7H2,(H,18,19)(H2,15,16,17)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t9-,10-,11+,12-,13-,14-/m1/s1","[oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid","2021-02-25","2022-03-18","[oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid","2022-03-23"],["BM9","[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA\nMIDE","C25 H34 N6 O5 S","O=C(N2C(CNC(=O)C1CCCN(C(=[N@H])N)C1)CCC2)C(NS(=O)(=O)c4cc3ccccc3cc4)CO;NC(=N)N1CCC[CH](C1)C(=O)NC[CH]2CCCN2C(=O)[CH](CO)N[S](=O)(=O)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)S(=O)(=O)NC(CO)C(=O)N3CCCC3CNC(=O)C4CCCN(C4)C(=N)N","InChI=1S/C25H34N6O5S/c26-25(27)30-11-3-7-19(15-30)23(33)28-14-20-8-4-12-31(20)24(34)22(16-32)29-37(35,36)21-10-9-17-5-1-2-6-18(17)13-21/h1-2,5-6,9-10,13,19-20,22,29,32H,3-4,7-8,11-12,14-16H2,(H3,26,27)(H,28,33)/t19-,20-,22-/m0/s1","BMS-189090","1999-07-08","2020-06-17","(3S)-1-carbamimidoyl-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)piperidine-3-carboxamide",""],["UJO","~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide","C29 H57 N O3","CCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCCCCCC;CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCC)O","InChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(32)27(26-31)30-29(33)25-23-21-19-16-12-10-8-6-4-2/h22,24,27-28,31-32H,3-21,23,25-26H2,1-2H3,(H,30,33)/b24-22-/t27-,28+/m0/s1","","2023-09-08","2024-02-23","~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide","2024-02-28"],["UJP","(2R)-thiolane-2-carboxylic acid","C5 H8 O2 S","C(O)(C1CCCS1)=O;OC(=O)[CH]1CCCS1;C1CC(SC1)C(=O)O","InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1","","2020-05-18","2021-09-24","(2R)-thiolane-2-carboxylic acid","2021-09-29"],["BMA","beta-D-mannopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1","beta-D-mannose; D-mannose; mannose","1999-07-08","2024-09-27","beta-D-mannopyranose",""],["BMB","(3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide","C37 H47 N5 O3","O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(NC)CC)C(CCC3CC4)CCNCc5ccccc5;CC[CH](NC)C(=O)N[CH]1[CH](CCNCc2ccccc2)CC[CH]3CC[CH](N3C1=O)C(=O)NC(c4ccccc4)c5ccccc5;CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC","InChI=1S/C37H47N5O3/c1-3-31(38-2)35(43)41-34-29(23-24-39-25-26-13-7-4-8-14-26)19-20-30-21-22-32(42(30)37(34)45)36(44)40-33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,29-34,38-39H,3,19-25H2,1-2H3,(H,40,44)(H,41,43)/t29-,30+,31+,32+,34+/m1/s1","","2010-10-06","2011-06-04","(3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide",""],["UJQ","9~{H}-xanthene-9-carboxylic acid","C14 H10 O3","OC(=O)C1c2ccccc2Oc3ccccc13;c1ccc2c(c1)C(c3ccccc3O2)C(=O)O","InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)","","2021-02-25","2021-06-25","9~{H}-xanthene-9-carboxylic acid","2021-06-30"],["BMC","3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid","C12 H10 N2 O4","O=C(O)c1cc(nn1C)c2ccc3OCOc3c2;Cn1nc(cc1C(O)=O)c2ccc3OCOc3c2;Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O","InChI=1S/C12H10N2O4/c1-14-9(12(15)16)5-8(13-14)7-2-3-10-11(4-7)18-6-17-10/h2-5H,6H2,1H3,(H,15,16)","","2010-09-29","2011-06-04","3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid",""],["UJR","(2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal","C7 H8 I N3 O S","N[CH](CSc1ncc(I)cn1)C=O;c1c(cnc(n1)SCC(C=O)N)I","InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1","arylated cysteine","2023-02-06","2024-09-27","(2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal","2023-12-13"],["BMD","BUTYRAMIDE","C4 H9 N O","O=C(N)CCC;CCCC(N)=O;CCCC(=O)N","InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","","1999-10-19","2011-06-04","butanamide",""],["UJS","(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]","C24 H16 N2 O3","c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)n4cc5c(c4)cccc5;Oc1ccc(cc1C(=O)n2cc3ccccc3c2)C(=O)n4cc5ccccc5c4;c1ccc2cn(cc2c1)C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O","InChI=1S/C24H16N2O3/c27-22-10-9-16(23(28)25-12-17-5-1-2-6-18(17)13-25)11-21(22)24(29)26-14-19-7-3-4-8-20(19)15-26/h1-15,27H","","2020-05-18","2023-08-11","(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]","2023-08-16"],["BME","BETA-MERCAPTOETHANOL","C2 H6 O S","OCCS;OCCS;C(CS)O","InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2","","1999-07-08","2024-09-27","2-sulfanylethanol",""],["UJT","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-oxidanylpropyl)amino]methyl]oxolane-3,4-diol","C26 H33 N11 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCO)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCO)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C26H33N11O8/c27-21-15-23(31-9-29-21)36(11-33-15)25-19(42)17(40)12(44-25)7-35(5-2-6-38)4-1-3-14-34-16-22(28)30-10-32-24(16)37(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,38-43H,2,4-8H2,(H2,27,29,31)(H2,28,30,32)/t12-,13+,17+,18+,19+,20+,25-,26-/m0/s1","","2023-09-06","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-oxidanylpropyl)amino]methyl]oxolane-3,4-diol","2025-03-19"],["UJU","5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide","C17 H22 N4 O2","CCc1[nH]nc(C(=O)Nc2ccc(cc2)[CH]3CNCCO3)c1C;CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)C3CNCCO3)C","InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1","Ralmitaront ","2023-06-07","2023-11-10","5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide","2023-11-15"],["BMF","Bromosporine","C17 H20 N6 O4 S","c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C;CCOC(=O)Nc1cc(nn2c(C)nnc12)c3ccc(C)c(N[S](C)(=O)=O)c3;CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C","InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)","ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate","2015-06-19","2021-03-13","ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate","2015-07-07"],["BMG","(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth\nyl-4,5-dihydro-1H-pyrrole-2-carboxylate","C15 H20 N4 O4 S","O=CC(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1C2)C3C;C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2Cn3cnc[n+]3C2)[CH]1C)C([O-])=O;CC1C(NC(=C1SC2Cn3cnc[n+]3C2)C(=O)[O-])C(C=O)C(C)O","InChI=1S/C15H20N4O4S/c1-8-12(11(5-20)9(2)21)17-13(15(22)23)14(8)24-10-3-18-6-16-7-19(18)4-10/h5-12,17,21H,3-4H2,1-2H3/t8-,9-,11-,12-/m1/s1","(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-\nmethyl-4,5-dihydro-1H-pyrrole-2-carboxylate","2007-11-05","2024-09-27","(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate",""],["UJV","[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone","C25 H17 F N2 O4","c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(cc3)OC)c4)=O)c(F)ccc5;COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(F)c5c4;COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F","InChI=1S/C25H17FN2O4/c1-32-19-7-5-16-11-27(13-18(16)9-19)25(31)20-10-15(6-8-23(20)29)24(30)28-12-17-3-2-4-22(26)21(17)14-28/h2-14,29H,1H3","","2020-05-18","2023-08-11","[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone","2023-08-16"],["UJW","5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide","C13 H15 N3 S","NCCc1sc(cc1c2ccccc2)C(N)=N;c1ccc(cc1)c2cc(sc2CCN)C(=N)N","InChI=1S/C13H15N3S/c14-7-6-11-10(8-12(17-11)13(15)16)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H3,15,16)","5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide","2021-02-25","2022-01-20","5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide","2022-01-12"],["BMH","5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM,\n6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER\nSALT, (4R-(4ALPHA,5BETA,6BETA(R*)))-","C15 H22 N4 O5 S","O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1C2)C3C)C([O-])O;C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]3C2)[CH]1C)[CH](O)[O-])C(O)=O;CC1C(NC(=C1SC2Cn3cnc[n+]3C2)C(O)[O-])C(C(C)O)C(=O)O","InChI=1S/C15H22N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,15,17,20,23H,3-4H2,1-2H3,(H,21,22)/t7-,8-,10-,11-,15-/m1/s1","BIAPENEM (HYDLYZED)","2004-08-25","2020-06-17","(S)-[(4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-4,5-dihydro-1H-pyrrol-2-yl](hydroxy)methanolate",""],["BMI","3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE","C22 H19 N7 O","O=C2NC=CC(NCc1ncccc1)=C2c5nc3c(c(cc(c3)n4ccnc4)C)n5;Cc1cc(cc2nc([nH]c12)C3=C(NCc4ccccn4)C=CNC3=O)n5ccnc5;Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5","InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30)","","2007-01-25","2011-06-04","3-[5-(1H-imidazol-1-yl)-7-methyl-1H-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one",""],["UJX"," ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate","C19 H18 N2 O5","CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3;CCOC(=O)C1=C(Oc2cc(ccc2C1c3cccnc3)O)NC(=O)C","InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1","ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate; ethyl 2-(acetylamino)-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate","2023-02-06","2024-01-26","ethyl (4~{S})-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4~{H}-chromene-3-carboxylate","2024-01-31"],["UJY","[2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone","C45 H37 N2 O4 P","c1(cc(ccc1O)C(n3cc2c(cccc2)c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6ccccc6)(c7ccccc7)c8ccccc8;Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccccc8c7;c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(=O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7ccccc7)c8ccccc8","InChI=1S/C45H37N2O4P/c48-43-24-22-33(44(49)46-29-34-13-10-11-14-35(34)30-46)28-42(43)45(50)47-31-36-21-23-38(27-37(36)32-47)51-25-12-26-52(39-15-4-1-5-16-39,40-17-6-2-7-18-40)41-19-8-3-9-20-41/h1-11,13-24,27-32,48,52H,12,25-26H2","","2020-05-18","2023-08-11","[2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone","2023-08-16"],["BMJ","(12R)-12-methyltetradecanoic acid","C15 H30 O2","C(CC(CC)C)CCCCCCCCC(O)=O;CC[CH](C)CCCCCCCCCCC(O)=O;CCC(C)CCCCCCCCCCC(=O)O","InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m1/s1","","2017-08-14","2018-11-16","(12R)-12-methyltetradecanoic acid","2018-11-21"],["BMK","(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene","C16 H15 N","CC23c1c(cccc1)CC(N2)c4ccccc34;C[C]12N[CH](Cc3ccccc13)c4ccccc24;CC12c3ccccc3CC(N1)c4c2cccc4","InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1","","2017-01-31","2017-03-17","(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene","2017-03-22"],["UJZ","4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole","C8 H4 Br F3 N2","FC(F)(F)c1cc(Br)c2nc[nH]c2c1;c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F","InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)","","2021-02-26","2021-06-25","4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole","2021-06-30"],["UK0","(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid","C20 H28 O3","C[CH]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3;CC1CCC2(C(C1(C)CCc3ccoc3)CCC=C2C(=O)O)C","InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1","","2023-06-07","2023-06-09","(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid","2023-06-14"],["BML","4-BROMOPHENOL","C6 H5 Br O","Brc1ccc(O)cc1;Oc1ccc(Br)cc1;c1cc(ccc1O)Br","InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H","","2004-04-29","2011-06-04","4-bromophenol",""],["BMM","BROMOMETHANE","C H3 Br","BrC;CBr;CBr","InChI=1S/CH3Br/c1-2/h1H3","","2004-11-03","2011-06-04","bromomethane",""],["UK1","3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one","C47 H49 F2 N11 O5","c1(cc(cc(c1F)C)n7c(c2c(CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c9c(c%10c(cc9)n(C)nc%10)F)C;CCC[CH](n1c2ccc(cc2cc1C(=O)N3CCc4nn(c5cc(C)c(F)c(C)c5)c(N6C=CN(C6=O)c7ccc8n(C)ncc8c7F)c4[CH]3C)N9CCOC(C)(C)C9)C%10=NOC(=O)N%10;CCCC(C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)C4C)N1CCOC(C1)(C)C","InChI=1S/C47H49F2N11O5/c1-8-9-37(42-51-45(62)65-53-42)59-34-11-10-30(55-18-19-64-47(5,6)25-55)22-29(34)23-38(59)44(61)56-15-14-33-39(28(56)4)43(60(52-33)31-20-26(2)40(48)27(3)21-31)58-17-16-57(46(58)63)36-13-12-35-32(41(36)49)24-50-54(35)7/h10-13,16-17,20-24,28,37H,8-9,14-15,18-19,25H2,1-7H3,(H,51,53,62)/t28-,37-/m0/s1","","2020-05-19","2020-09-04","3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one","2020-09-09"],["BMN","(1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol","C16 H19 O7 P","O=P(O)(OCC3OC(c2cc1ccccc1cc2OC)CC3O)O;COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C16H19O7P/c1-21-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(23-15)9-22-24(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H2,18,19,20)/t13-,15+,16+/m0/s1","","2011-07-29","2012-06-01","(1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol",""],["UK2","(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron","C7 H8 B N O4","Cc1ccc(cc1[N+]([O-])=O)B(O)O;B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O","InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3","","2021-02-26","2021-06-25","(4-methyl-3-nitro-phenyl)boronic acid","2021-06-30"],["UK3","(2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide","C101 H135 F N16 O25 S","CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCCN7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9ccccc89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CCSC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C(CCCCN)NC(=O)C7CCCN7C(=O)C(CO)NC(=O)C(Cc8c[nH]c9c8cccc9)NC(=O)CN(CCCCNC(=O)c1cccc(c1O)O)C(=O)c1cccc(c1O)O)C","InChI=1S/C101H135FN16O25S/c1-12-80-101(7)87(58(4)82(124)56(2)47-79(139-10)86(59(5)88(128)100(6,102)98(137)141-80)142-97-85(127)76(114(8)9)48-57(3)140-97)118(99(138)143-101)44-20-19-43-116-53-73(112-113-116)61-25-21-26-63(50-61)106-90(130)70(39-46-144-11)108-92(132)71(49-60-35-37-64(120)38-36-60)110-91(131)69(31-15-16-40-103)109-94(134)75-32-24-45-117(75)96(136)74(55-119)111-93(133)72(51-62-52-105-68-30-14-13-27-65(62)68)107-81(123)54-115(95(135)67-29-23-34-78(122)84(67)126)42-18-17-41-104-89(129)66-28-22-33-77(121)83(66)125/h13-14,21-23,25-30,33-38,50,52-53,56-59,69-72,74-76,79-80,85-87,97,105,119-122,125-127H,12,15-20,24,31-32,39-49,51,54-55,103H2,1-11H3,(H,104,129)(H,106,130)(H,107,123)(H,108,132)(H,109,134)(H,110,131)(H,111,133)/t56-,57-,58+,59-,69-,70-,71-,72-,74-,75-,76+,79-,80-,85-,86-,87-,97+,100+,101-/m1/s1","","2022-08-19","2023-06-23","(2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide","2023-06-28"],["BMO","N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE","C32 H31 N5","n2c1c(cccc1)c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cccc6;C(CNCCCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46;c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6","InChI=1S/C32H31N5/c1-5-15-27-23(11-1)31(24-12-2-6-16-28(24)36-27)34-21-9-19-33-20-10-22-35-32-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)32/h1-8,11-18,33H,9-10,19-22H2,(H,34,36)(H,35,37)","1,3-PROPANEDIAMINE; N-9-ACRIDINYL-N -[3-(9-ACRIDINYLAMINO)PROPYL]","2006-04-25","2020-05-26","N-acridin-9-yl-N'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine",""],["BMP","6-HYDROXYURIDINE-5'-PHOSPHATE","C9 H13 N2 O10 P","O=C1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)O","InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1","","2000-01-14","2011-06-04","6-hydroxyuridine 5'-(dihydrogen phosphate)",""],["UK4","2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid","C31 H30 F N5 O4","C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5;OC(=O)c1ccc2nc(CN3CCC(CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH]6CCO6)c2c1;c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4CC6CCO6)C(=O)O","InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1","","2020-05-19","2020-09-04","2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid","2020-09-09"],["UK5","1-oxidanylquinolin-4-one","C9 H7 N O2","ON1C=CC(=O)c2ccccc12;c1ccc2c(c1)C(=O)C=CN2O","InChI=1S/C9H7NO2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H","","2021-02-26","2021-09-17","1-oxidanylquinolin-4-one","2021-09-22"],["BMQ","1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID","C9 H13 N2 O10 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=O;C1C(=O)NC(=O)N(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1","","2000-03-02","2011-06-24","6-oxouridine 5'-(dihydrogen phosphate)",""],["UK6","sclareol","C20 H36 O2","CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[C](C)(O)C=C;CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C","InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1","(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol; (13R)-Labd-14-ene-8,13-diol","2023-02-06","2024-02-16","(1~{R},2~{R},4~{a}~{S},8~{a}~{S})-2,5,5,8~{a}-tetramethyl-1-[(3~{R})-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-2-ol","2024-02-21"],["8G2","(4-methoxycarbonylphenyl)methylazanium","C9 H12 N O2","COC(=O)c1ccc(C[NH3+])cc1;COC(=O)c1ccc(cc1)C[NH3+]","InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3/p+1","","2017-02-06","2025-08-01","(4-methoxycarbonylphenyl)methylazanium","2018-02-28"],["8G3","2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol","C14 H13 N7 O","Cc1cc2nc(CCc3nn4cccnc4n3)cc(O)n2n1;Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3","InChI=1S/C14H13N7O/c1-9-7-12-16-10(8-13(22)21(12)18-9)3-4-11-17-14-15-5-2-6-20(14)19-11/h2,5-8,22H,3-4H2,1H3","","2017-07-03","2018-03-09","2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol","2018-03-14"],["UK7","3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide","C18 H19 N3 O S","C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3;NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(N)=S;c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO","InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23)","","2020-05-19","2021-04-02","3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide","2021-04-07"],["8G4","(1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione","C28 H24 Cl F N4 O6","Fc1ccc(cc1Cl)CN2C(C=7C(CC2)=C3N(C6(N(C3=O)CCN4C(C=CC4=O)=O)C5CC5CC6)C(=O)C=7O)=O;OC1=C2C(=O)N(CCC2=C3N(C1=O)[C]4(CC[CH]5C[CH]45)N(CCN6C(=O)C=CC6=O)C3=O)Cc7ccc(F)c(Cl)c7;c1cc(c(cc1CN2CCC3=C4C(=O)N(C5(N4C(=O)C(=C3C2=O)O)CCC6C5C6)CCN7C(=O)C=CC7=O)Cl)F","InChI=1S/C28H24ClFN4O6/c29-18-11-14(1-2-19(18)30)13-31-8-6-16-22(25(31)38)24(37)27(40)34-23(16)26(39)33(28(34)7-5-15-12-17(15)28)10-9-32-20(35)3-4-21(32)36/h1-4,11,15,17,37H,5-10,12-13H2/t15-,17+,28+/m1/s1","","2017-02-03","2017-03-24","(1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione","2017-03-29"],["UK8","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid","C21 H13 Cl F3 N3 O4","OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]nc4)cc1;c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F","InChI=1S/C21H13ClF3N3O4/c22-16-3-1-2-15(21(23,24)25)17(16)18-14(19(32-28-18)12-8-26-27-9-12)10-31-13-6-4-11(5-7-13)20(29)30/h1-9H,10H2,(H,26,27)(H,29,30)","","2021-02-26","2021-05-28","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid","2021-06-02"],["UK9","7,8-bis(oxidanyl)-2-phenyl-chromen-4-one","C15 H10 O4","Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3;c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O","InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H","","2023-09-06","2024-06-07","7,8-bis(oxidanyl)-2-phenyl-chromen-4-one","2024-06-12"],["8G5","(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one","C12 H16 N2 O2 S","Nc1scc(n1)[CH]2CC(=O)OC23CCCCC3;c1c(nc(s1)N)C2CC(=O)OC23CCCCC3","InChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)/t8-/m1/s1","","2017-02-06","2018-02-23","(4~{R})-4-(2-azanyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one","2018-02-28"],["UKA","6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide","C40 H47 N11 O6","O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccccc6)c7ccccc7;CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(nc23)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7;CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O","InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1","","2011-01-12","2011-06-04","6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide (non-preferred name)",""],["8G6","7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine","C13 H10 Cl N3","Cc1cc2nccc(n2n1)c3ccc(Cl)cc3;Cc1cc2nccc(n2n1)c3ccc(cc3)Cl","InChI=1S/C13H10ClN3/c1-9-8-13-15-7-6-12(17(13)16-9)10-2-4-11(14)5-3-10/h2-8H,1H3","","2017-07-03","2018-03-09","7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine","2018-03-14"],["8G7","(2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one","C19 H24 N2 O3","CN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3cccnc13;CC(=CC1CC(OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C","InChI=1S/C19H24N2O3/c1-12(2)10-13-11-19(3,7-9-22)24-16-14-6-5-8-20-17(14)21(4)18(23)15(13)16/h5-6,8,10,13,22H,7,9,11H2,1-4H3/t13-,19+/m1/s1","","2021-12-10","2022-03-11","(2~{R},4~{S})-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one","2022-03-16"],["UKB","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid","C22 H13 Cl F4 N2 O4","OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)cc1F;c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F","InChI=1S/C22H13ClF4N2O4/c23-16-3-1-2-15(22(25,26)27)18(16)19-14(20(33-29-19)11-6-7-28-9-11)10-32-12-4-5-13(21(30)31)17(24)8-12/h1-9,28H,10H2,(H,30,31)","","2021-02-26","2021-05-28","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid","2021-06-02"],["8G8","2-chloranyl-9-methyl-purine","C6 H5 Cl N4","Cn1cnc2cnc(Cl)nc12;Cn1cnc2c1nc(nc2)Cl","InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3","","2017-02-06","2018-02-23","2-chloranyl-9-methyl-purine","2018-02-28"],["UKC","8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE","C17 H17 N5 O","n3c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC;CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14;CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C","InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3","","1999-07-08","2011-06-04","9-ethyl-7-methoxy-3-methyl-9H-imidazo[1,2-d]dipyrido[2,3-b:3',2'-f][1,4]diazepine",""],["UKD","3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine","C5 H9 N4 O5 P","OP(=O)(O)c1nnn(c1)CC(N)C(O)=O;N[CH](Cn1cc(nn1)[P](O)(O)=O)C(O)=O;c1c(nnn1CC(C(=O)O)N)P(=O)(O)O","InChI=1S/C5H9N4O5P/c6-3(5(10)11)1-9-2-4(7-8-9)15(12,13)14/h2-3H,1,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1","pHis","2020-05-20","2024-09-27","3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine","2021-02-03"],["8G9","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C26 H45 N5 O5","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CO)C[CH]3CCNC3=O)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)CO)C","InChI=1S/C26H45N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h14-19,32H,9-13H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["UKE","5-methoxy-1,3-benzoxazole-2-carboxylic acid","C9 H7 N O4","COc1ccc2oc(nc2c1)C(O)=O;COc1ccc2c(c1)nc(o2)C(=O)O","InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)","5-Methoxybenzo[d]oxazole-2-carboxylic acid","2021-02-26","2021-06-25","5-methoxy-1,3-benzoxazole-2-carboxylic acid","2021-06-30"],["8GA","5-Se-methyl-5-seleno-alpha-D-ribofuranose","C6 H12 O4 Se","C[Se]CC1OC(O)C(O)C1O;C[Se]C[CH]1O[CH](O)[CH](O)[CH]1O;C[Se]CC1C(C(C(O1)O)O)O","InChI=1S/C6H12O4Se/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1","5-Se-methyl-5-seleno-alpha-D-ribose; 5-Se-methyl-5-seleno-D-ribose; 5-Se-methyl-5-seleno-ribose","2017-02-04","2020-07-17","5-Se-methyl-5-seleno-alpha-D-ribofuranose","2018-09-12"],["8GB","1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone","C9 H8 Cl2 O2","CC(=O)c1cc(Cl)cc(CCl)c1O;CC(=O)c1cc(cc(c1O)CCl)Cl","InChI=1S/C9H8Cl2O2/c1-5(12)8-3-7(11)2-6(4-10)9(8)13/h2-3,13H,4H2,1H3","","2017-02-06","2018-02-23","1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone","2018-02-28"],["UKF","(2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","C24 H35 N5 O7","OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(on1)C1CCC1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CCC4;c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O-])NCCCCCCN4CC(C(C(C4CO)O)O)O","InChI=1S/C24H35N5O7/c30-14-19-21(32)22(33)20(31)13-28(19)11-4-2-1-3-10-25-17-9-8-16(12-18(17)29(34)35)23-26-24(36-27-23)15-6-5-7-15/h8-9,12,15,19-22,25,30-33H,1-7,10-11,13-14H2/t19-,20+,21-,22-/m1/s1","","2022-08-22","2023-02-17","(2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["8GC","3-carbamoyl-1-methylpyridin-1-ium","C7 H9 N2 O","C(N)(=O)c1ccc[n+](C)c1;C[n+]1cccc(c1)C(N)=O;C[n+]1cccc(c1)C(=O)N","InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1","1-methylnicotinamide","2017-07-03","2020-06-17","3-carbamoyl-1-methylpyridin-1-ium","2017-08-02"],["UKG","4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide","C11 H7 Br Cl N5 O2 S2","Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3;c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl)Br)c3[nH]nnn3","InChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18)","","2023-02-06","2024-01-26","4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide","2024-01-31"],["8GD","2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate)","C10 H15 N5 O11 P2","NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1;C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1","8-oxo-7,8-dihydro-2'-deoxy-guanosine-5'-diphosphate","2010-01-09","2021-03-13","[(2R,3S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",""],["UKH","p-nitrophenylboronic acid","C6 H6 B N O4","OB(O)c1ccc(cc1)[N+]([O-])=O;B(c1ccc(cc1)[N+](=O)[O-])(O)O","InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H","(4-nitrophenyl)boronic acid","2021-02-26","2021-06-25","(4-nitrophenyl)boronic acid","2021-06-30"],["UKI","Sulfatinib","C24 H28 N6 O3 S","CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1;Cc1cc2cc(ccc2[nH]1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C","InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)","N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide","2023-06-08","2024-11-11","~{N}-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1~{H}-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide","2024-03-27"],["8GE","4-(1~{H}-indol-2-yl)benzenesulfonamide","C14 H12 N2 O2 S","N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2;c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)","","2017-02-06","2017-12-22","4-(1~{H}-indol-2-yl)benzenesulfonamide","2017-12-27"],["8GF","2-methylpyrimidin-4-amine","C5 H7 N3","Cc1nccc(N)n1;Cc1nccc(n1)N","InChI=1S/C5H7N3/c1-4-7-3-2-5(6)8-4/h2-3H,1H3,(H2,6,7,8)","2-methyl-4-aminopyrimidine","2017-07-05","2021-03-01","2-methylpyrimidin-4-amine","2018-04-25"],["UKJ","1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene","C13 H7 Br F3 N O5 S","[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O;[O-][N+](=O)c1cc(ccc1Oc2cc(F)cc(Br)c2)[S](=O)(=O)C(F)F;c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F","InChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H","","2020-05-20","2021-05-21","1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene","2021-05-26"],["8GG","5-Se-methyl-5-seleno-beta-D-ribofuranose","C6 H12 O4 Se","O1C(C[Se]C)C(C(C1O)O)O;C[Se]C[CH]1O[CH](O)[CH](O)[CH]1O;C[Se]CC1C(C(C(O1)O)O)O","InChI=1S/C6H12O4Se/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1","5-Se-methyl-5-seleno-beta-D-ribose; 5-Se-methyl-5-seleno-D-ribose; 5-Se-methyl-5-seleno-ribose","2017-02-04","2020-07-17","5-Se-methyl-5-seleno-beta-D-ribofuranose","2018-09-12"],["UKK","6-phenoxy-3-pyridinamine","C11 H10 N2 O","Nc1ccc(Oc2ccccc2)nc1;c1ccc(cc1)Oc2ccc(cn2)N","InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2","6-phenoxypyridin-3-amine","2021-02-27","2021-06-25","6-phenoxypyridin-3-amine","2021-06-30"],["UKL","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)","C37 H66 N7 O17 P3 S","CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O;CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26(45)22-65-20-19-39-28(46)17-18-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-21-27-31(60-62(50,51)52)30(47)36(59-27)44-25-43-29-33(38)41-24-42-34(29)44/h24-25,27,30-32,36,47-48H,4-23H2,1-3H3,(H,39,46)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t27-,30-,31-,32+,36-/m1/s1","","2022-08-22","2022-12-16","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)","2022-12-21"],["8GH","4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide","C16 H15 N3 O2 S","N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2;c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)","","2017-02-06","2017-12-22","4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide","2017-12-27"],["UKM","(1R)-1-hydroxybutane-1-sulfonic acid","C4 H10 O4 S","C(CCC)(O)S(=O)(O)=O;CCC[CH](O)[S](O)(=O)=O;CCCC(O)S(=O)(=O)O","InChI=1S/C4H10O4S/c1-2-3-4(5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1","","2020-05-20","2021-11-19","(1R)-1-hydroxybutane-1-sulfonic acid","2021-11-24"],["8GI","1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea","C20 H24 N2 O5 S","CC(C)(O)c1coc(c1)[S](=O)(=O)NC(=O)Nc2c3CCCc3cc4CCCc24;CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O","InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)","","2021-10-12","2022-08-22","1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea","2022-01-26"],["UKN","(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate","C12 H8 Cl F N2 O4","O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1;FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2;c1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl","InChI=1S/C12H8ClFN2O4/c13-7-3-1-6(2-4-7)5-20-11(18)9-8(14)10(17)16-12(19)15-9/h1-4H,5H2,(H2,15,16,17,19)","","2023-05-09","2023-06-09","(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate","2023-06-14"],["8GJ","(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C18 H21 F N2 O6 S","C2(c1ccc(cc1F)OC)=CC(N(C=C2)CCC(C)(S(C)(=O)=O)C(NO)=O)=O;COc1ccc(c(F)c1)C2=CC(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C=C2;CC(CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C","InChI=1S/C18H21FN2O6S/c1-18(17(23)20-24,28(3,25)26)7-9-21-8-6-12(10-16(21)22)14-5-4-13(27-2)11-15(14)19/h4-6,8,10-11,24H,7,9H2,1-3H3,(H,20,23)/t18-/m1/s1","","2017-02-04","2017-03-24","(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2017-03-29"],["8GK","~{N}-oxidanylnaphthalene-1-carboxamide","C11 H9 N O2","ONC(=O)c1cccc2ccccc12;c1ccc2c(c1)cccc2C(=O)NO","InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)","","2017-02-06","2018-02-16","~{N}-oxidanylnaphthalene-1-carboxamide","2018-02-21"],["UKO","~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide","C14 H18 N4 O3 S2","NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[CH]3CCCS3;C1CC(SC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3","InChI=1S/C14H18N4O3S2/c15-13-10(3-1-7-16-23(20,21)11-5-6-11)9-18(14(19)17-13)12-4-2-8-22-12/h9,11-12,16H,2,4-8H2,(H2,15,17,19)/t12-/m1/s1","","2023-09-06","2024-09-06","~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide","2024-09-11"],["8GL","(2S)-2-azanyl-2-oxidanyl-pentanedioic acid","C5 H9 N O5","N[C](O)(CCC(O)=O)C(O)=O;C(CC(C(=O)O)(N)O)C(=O)O","InChI=1S/C5H9NO5/c6-5(11,4(9)10)2-1-3(7)8/h11H,1-2,6H2,(H,7,8)(H,9,10)/t5-/m0/s1","","2017-07-05","2018-03-16","(2~{S})-2-azanyl-2-oxidanyl-pentanedioic acid","2018-03-21"],["UKP","[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE","C32 H48 N6 O4 S","O=C(N3CCN(C(=O)C(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc2cc(C(=[N@H])N)ccc2)CC3)CCN;CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3)C(=O)CCN;CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C","InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1","[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINE]]-PIPERAZINE-N'-BETA-ALANINE","2000-08-21","2021-03-13","3-[(2S)-3-(4-beta-alanylpiperazin-1-yl)-3-oxo-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propyl]benzenecarboximidamide",""],["8GM","[(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O9 P","NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1;C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O","InChI=1S/C10H14N5O9P/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1","8-oxoguanosine-5'-phosphate","2016-06-17","2021-03-01","[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2017-04-19"],["UKQ","(1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol","C7 H12 O5","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12;C(C1C(C(C(C2C1O2)O)O)O)O","InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5+,6+,7-/m1/s1","(1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol; epi-manno-cyclophellitol","2021-02-28","2021-04-23","(1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol","2021-04-28"],["8GN","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide","C24 H29 N9 O","CN(C)[CH]1CCN(C1)c2ccc(Nc3cc(NC4CC4)n5ncc(C#N)c5n3)cc2NC(C)=O;CC(=O)Nc1cc(ccc1N2CCC(C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C24H29N9O/c1-15(34)27-20-10-18(6-7-21(20)32-9-8-19(14-32)31(2)3)28-22-11-23(29-17-4-5-17)33-24(30-22)16(12-25)13-26-33/h6-7,10-11,13,17,19,29H,4-5,8-9,14H2,1-3H3,(H,27,34)(H,28,30)/t19-/m1/s1","","2017-02-06","2017-05-12","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide","2017-05-17"],["UKR","1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid","C31 H40 F2 N2 O4 S","Fc1ccc(cc1)S(=O)(=O)CCC1CCN(CC1)CC1CN(CC2(CCCC2)C(=O)O)CC1c1cccc(F)c1;OC(=O)C1(CCCC1)CN2C[CH](CN3CCC(CC3)CC[S](=O)(=O)c4ccc(F)cc4)[CH](C2)c5cccc(F)c5;c1cc(cc(c1)F)C2CN(CC2CN3CCC(CC3)CCS(=O)(=O)c4ccc(cc4)F)CC5(CCCC5)C(=O)O","InChI=1S/C31H40F2N2O4S/c32-26-6-8-28(9-7-26)40(38,39)17-12-23-10-15-34(16-11-23)19-25-20-35(22-31(30(36)37)13-1-2-14-31)21-29(25)24-4-3-5-27(33)18-24/h3-9,18,23,25,29H,1-2,10-17,19-22H2,(H,36,37)/t25-,29+/m0/s1","","2022-08-22","2023-03-03","1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid","2023-03-08"],["8GO","(2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one","C21 H28 N2 O3","CCN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3ccc(C)nc13;CCN1c2c(ccc(n2)C)C3=C(C1=O)C(CC(O3)(C)CCO)C=C(C)C","InChI=1S/C21H28N2O3/c1-6-23-19-16(8-7-14(4)22-19)18-17(20(23)25)15(11-13(2)3)12-21(5,26-18)9-10-24/h7-8,11,15,24H,6,9-10,12H2,1-5H3/t15-,21+/m1/s1","","2021-12-10","2022-03-11","(2~{R},4~{S})-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one","2022-03-16"],["UKS","[(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid","C20 H27 B N4 O4","C(CCC)(NC(c1cnccn1)=O)C(=O)NC(B(O)O)CCCc2ccccc2;CCC[CH](NC(=O)c1cnccn1)C(=O)N[CH](CCCc2ccccc2)B(O)O;B(C(CCCc1ccccc1)NC(=O)C(CCC)NC(=O)c2cnccn2)(O)O","InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1","","2020-05-20","2024-09-27","[(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid","2021-04-14"],["8GP","N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine","C11 H18 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)NC2CC2;OC[CH]1O[CH](NC(=O)C(=O)NC2CC2)[CH](O)[CH](O)[CH]1O;C1CC1NC(=O)C(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C11H18N2O7/c14-3-5-6(15)7(16)8(17)11(20-5)13-10(19)9(18)12-4-1-2-4/h4-8,11,14-17H,1-3H2,(H,12,18)(H,13,19)/t5-,6-,7+,8-,11-/m1/s1","N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE; N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucosylamine;\nN-[(cyclopropylamino)(oxo)acetyl]-D-glucosylamine; N-[(cyclopropylamino)(oxo)acetyl]-glucosylamine","2006-01-25","2020-07-17","N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine",""],["UKT","(1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol","C7 H14 O5","OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1O)O)O)CO)O","InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1","(1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol","2021-02-28","2024-09-27","(1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol","2021-04-28"],["8GQ","pyrazolo-pyrimidine macrocycle","C25 H25 N7 O4","OC[CH]1C[CH]2C[N]1c3cc(Nc4cc5CCC(=O)Nc5c(OCC=CCO2)c4)n6ncc(C#N)c6n3;c1c2cc(c3c1CCC(=O)N3)OCC=CCOC4CC(N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO","InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1","","2017-02-06","2017-05-12","","2017-05-17"],["UKU","[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid","C21 H34 N6 O16 P2","CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23;CC(C)C(C(C(=O)NP(=O)(O)OC1CC(C(O1)n2cnc3c2ncnc3NP(=O)(O)OC4C(C(C(OC4O)CO)O)O)O)O)O","InChI=1S/C21H34N6O16P2/c1-7(2)12(30)15(33)19(34)26-45(38,39)42-10-3-8(29)20(41-10)27-6-24-11-17(22-5-23-18(11)27)25-44(36,37)43-16-14(32)13(31)9(4-28)40-21(16)35/h5-10,12-16,20-21,28-33,35H,3-4H2,1-2H3,(H2,26,34,38,39)(H2,22,23,25,36,37)/t8-,9+,10+,12-,13+,14-,15+,16+,20+,21-/m0/s1","Agrocin 84 (alpha-D-glucopyranose form)","2023-02-07","2024-01-19","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-~{N}-[9-[(2~{R},3~{S},5~{R})-5-[[[(2~{R},3~{S})-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid","2024-01-24"],["8GR","(2Z)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one","C23 H23 N3 O3","COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4c[nH]c5ccccc45;COc1ccc2c(c1CN3CCNCC3)OC(=Cc4c[nH]c5c4cccc5)C2=O","InChI=1S/C23H23N3O3/c1-28-20-7-6-17-22(27)21(12-15-13-25-19-5-3-2-4-16(15)19)29-23(17)18(20)14-26-10-8-24-9-11-26/h2-7,12-13,24-25H,8-11,14H2,1H3/b21-12-","","2017-07-06","2017-12-08","(2~{Z})-2-(1~{H}-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one","2017-12-13"],["UKV","(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C11 H9 N O2 S2","COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2;COc1cccc(c1)C=C2SC(=S)NC2=O;COc1cccc(c1)C=C2C(=O)NC(=S)S2","InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-","","2020-05-20","2020-06-05","(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2020-06-10"],["UKW","4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide","C13 H12 N2 O4","O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C)cc1;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C(=O)N=O;CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O","InChI=1S/C13H12N2O4/c1-3-9-4-6-10(7-5-9)12(17)14-11(8(2)16)13(18)15-19/h1,4-8,11,16H,2H3,(H,14,17)/t8-,11+/m1/s1","","2010-10-14","2011-06-04","4-ethynyl-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide",""],["8GS","2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","C18 H17 N5 O","c4n(c(c3cccc(N2C(c1c(cccc1)C2)=O)n3)nn4)C(C)C;CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O;CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O","InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3","","2017-02-05","2017-06-02","2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","2017-06-07"],["8GT","8-OXO-GUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)C(O)C3O;NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1;C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H16N5O15P3/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1","","2004-12-16","2011-06-04","8-oxoguanosine 5'-(tetrahydrogen triphosphate)",""],["UKX","(2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide","C8 H14 N2 O2","CC[CH](N1CCCC1=O)C(N)=O;CCC(C(=O)N)N1CCCC1=O","InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1","levetiracetam","2023-06-09","2024-04-26","(2~{S})-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide","2024-05-01"],["8GU","(2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one","C22 H22 N4 O3","COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4c[nH]c5cccnc45;COc1ccc2c(c1CN3CCNCC3)OC(=Cc4c[nH]c5c4nccc5)C2=O","InChI=1S/C22H22N4O3/c1-28-18-5-4-15-21(27)19(11-14-12-25-17-3-2-6-24-20(14)17)29-22(15)16(18)13-26-9-7-23-8-10-26/h2-6,11-12,23,25H,7-10,13H2,1H3/b19-11-","","2017-07-06","2017-12-08","(2~{Z})-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1~{H}-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one","2017-12-13"],["UKY","3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine","C5 H9 N4 O5 P","C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O;N[CH](Cn1nncc1[P](O)(O)=O)C(O)=O;c1c(n(nn1)CC(C(=O)O)N)P(=O)(O)O","InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1","","2020-05-20","2024-09-27","3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine","2021-02-03"],["8GV","6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","C24 H28 N6 O3","n1cn(c(n1)c2cccc(n2)N5Cc3c(cc(cc3)OCC4CN(C)CCO4)C5=O)C(C)C;CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(OC[CH]5CN(C)CCO5)cc4C3=O;CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OCC5CN(CCO5)C","InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1","","2017-02-05","2017-06-02","6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one","2017-06-07"],["UKZ","N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide","C21 H23 Cl N2 O3","CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(Cl)c3C;CCCC(C(c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3","InChI=1S/C21H23ClN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1","~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide; N-[(1S,2R)-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide","2021-03-01","2021-04-02","~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide","2021-04-07"],["UL0","1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid","C32 H47 F N4 O2","CCc1nn(CC)c(c1CC)C1CCN(CC2CN(CC3(CCCC3)C(=O)O)CC2c2cccc(F)c2)CC1;CCn1nc(CC)c(CC)c1C2CCN(CC2)C[CH]3CN(C[CH]3c4cccc(F)c4)CC5(CCCC5)C(O)=O;CCc1c(nn(c1C2CCN(CC2)CC3CN(CC3c4cccc(c4)F)CC5(CCCC5)C(=O)O)CC)CC","InChI=1S/C32H47FN4O2/c1-4-27-29(5-2)34-37(6-3)30(27)23-12-16-35(17-13-23)19-25-20-36(22-32(31(38)39)14-7-8-15-32)21-28(25)24-10-9-11-26(33)18-24/h9-11,18,23,25,28H,4-8,12-17,19-22H2,1-3H3,(H,38,39)/t25-,28+/m0/s1","","2022-08-22","2023-03-03","1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid","2023-03-08"],["8GW","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C31 H52 N6 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCC3CC3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCC4CC4)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)NCC4CC4)O)C","InChI=1S/C31H52N6O6/c1-29(2,3)23(35-28(43)36-30(4,5)6)27(42)37-15-18-20(31(18,7)8)21(37)25(40)34-19(13-17-11-12-32-24(17)39)22(38)26(41)33-14-16-9-10-16/h16-23,38H,9-15H2,1-8H3,(H,32,39)(H,33,41)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,22+,23+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["UL1","(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C12 H11 N O3 S2","COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC;COc1ccc(cc1OC)C=C2SC(=S)NC2=O;COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2","InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6-","","2020-05-20","2020-06-05","(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2020-06-10"],["8GX","(2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one","C22 H22 N4 O3","COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4c[nH]c5cnccc45;COc1ccc2c(c1CN3CCNCC3)OC(=Cc4c[nH]c5c4ccnc5)C2=O","InChI=1S/C22H22N4O3/c1-28-19-3-2-16-21(27)20(10-14-11-25-18-12-24-5-4-15(14)18)29-22(16)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3/b20-10-","","2017-07-06","2017-12-08","(2~{Z})-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1~{H}-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one","2017-12-13"],["8GY","2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one","C21 H23 N5 O3","c1(OC(C)C)ccc4c(c1)C(N(c3cccc(c2n(cnn2)C(CO)C)n3)C4)=O;CC(C)Oc1ccc2CN(C(=O)c2c1)c3cccc(n3)c4nncn4[CH](C)CO;CC(C)Oc1ccc2c(c1)C(=O)N(C2)c3cccc(n3)c4nncn4C(C)CO","InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1","","2017-02-05","2017-06-02","2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one","2017-06-07"],["UL2","N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide","C20 H22 N2 O4","CCC[CH](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc3C;CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3","InChI=1S/C20H22N2O4/c1-3-6-15(18(23)14-8-5-4-7-12(14)2)21-19(24)13-9-10-17-16(11-13)22-20(25)26-17/h4-5,7-11,15,18,23H,3,6H2,1-2H3,(H,21,24)(H,22,25)/t15-,18+/m1/s1","~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide; N-[(1S,2R)-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-5-carboxamide","2021-03-01","2021-04-02","~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide","2021-04-07"],["UL4","3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid","C18 H17 N O5","O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC)C(=O)C;CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(C)=O;CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C","InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)","","2014-06-12","2015-06-19","3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid","2015-06-24"],["8GZ","D-Prolinol","C5 H11 N O","OC[CH]1CCCN1;C1CC(NC1)CO","InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1","[(2~{R})-pyrrolidin-2-yl]methanol; [(2R)-pyrrolidin-2-yl]methanol; (pyrrolidin-2-yl)methanol; (2R)-pyrrolidin-2-ylmethanol","2021-10-13","2022-10-07","[(2~{R})-pyrrolidin-2-yl]methanol","2022-10-12"],["8H0","N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine","C23 H26 N6 O","CCCc1cc(OC2CCNCC2)c3nc(Nc4ccc5cn[nH]c5c4)ncc3c1;CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4","InChI=1S/C23H26N6O/c1-2-3-15-10-17-13-25-23(27-18-5-4-16-14-26-29-20(16)12-18)28-22(17)21(11-15)30-19-6-8-24-9-7-19/h4-5,10-14,19,24H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28)","","2017-07-06","2017-07-28","~{N}-(1~{H}-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine","2017-08-02"],["UL5","~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide","C19 H21 N3 O2","CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[CH]3C[CH]3C;CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3","InChI=1S/C19H21N3O2/c1-12-8-16(12)22-18(23)14-10-15(9-13-6-4-3-5-7-13)21-17(11-14)19(24)20-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,20,24)(H,22,23)/t12-,16-/m0/s1","","2021-03-01","2021-07-16","~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide","2021-07-21"],["8H1","2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine","C28 H27 N5 O3","n2c1cc(OC)c(OC)cc1c5c(c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N;COc1cc2ncc3c(N)nc(cc3c2cc1OC)c4cncc(OC[CH](N)Cc5ccccc5)c4;COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OCC(Cc5ccccc5)N","InChI=1S/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/m0/s1","","2009-08-17","2011-06-04","2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine",""],["UL6","[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C13 H23 N O8","CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO1;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH]2COCCO2;CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)O)O","InChI=1S/C13H23NO8/c1-7(16)14-10-12(18)11(17)9(4-15)22-13(10)21-6-8-5-19-2-3-20-8/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9+,10+,11+,12+,13+/m0/s1","","2023-03-14","2023-05-19","[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["8H2","[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid","C10 H14 N5 O5 P Se","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3;c1nc2c(n1C3CC(C(O3)COP(O)[SeH])O)N=C(NC2=O)N","InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21-/m0/s1","","2023-03-28","2025-12-15","[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid","2024-01-10"],["UL7","1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]","C17 H24 Br Cl N2 O2","OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c3O;c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl","InChI=1S/C17H24BrClN2O2/c18-16-10-13(19)9-12(17(16)23)11-20-5-1-14(2-6-20)21-7-3-15(22)4-8-21/h9-10,14-15,22-23H,1-8,11H2","","2015-08-04","2015-12-11","1-[1-[(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-4-yl]piperidin-4-ol","2015-12-16"],["UL8","~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide","C20 H22 N4 O2","CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1)c3cn(C)nn3;CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccccc3","InChI=1S/C20H22N4O2/c1-4-21-20(25)16-10-11-19(17(12-16)18-13-24(3)23-22-18)26-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,21,25)/t14-/m0/s1","","2021-03-01","2021-03-19","~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide","2021-03-24"],["8H3","(1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C31 H54 N6 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCCCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CCCCNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C;CCCCNC(=O)C(C(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)O","InChI=1S/C31H54N6O6/c1-10-11-13-32-26(41)22(38)19(15-17-12-14-33-24(17)39)34-25(40)21-20-18(31(20,8)9)16-37(21)27(42)23(29(2,3)4)35-28(43)36-30(5,6)7/h17-23,38H,10-16H2,1-9H3,(H,32,41)(H,33,39)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,22+,23+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["8H4","1~{H}-indazol-5-amine","C7 H7 N3","Nc1ccc2[nH]ncc2c1;c1cc2c(cc1N)cn[nH]2","InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)","","2017-02-06","2017-03-10","1~{H}-indazol-5-amine","2017-03-15"],["UL9","3-isothiocyanatoprop-1-ene","C4 H5 N S","C=CCN=C=S;C=CCN=C=S;C=CCN=C=S","InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2","","2022-08-23","2022-10-21","3-isothiocyanatoprop-1-ene","2022-10-26"],["ULA","ULAPUALIDE A","C46 H66 N4 O13","O=C(OC(C(/C=CN(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O)CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C)C)C)C;CO[CH](C[CH]1OC(=O)C[CH](O)CCCC(=O)C[CH](C)c2coc(n2)c3coc(n3)c4coc(C=CC[CH](OC)[CH]1C)n4)[CH](C)CCC(=O)[CH](C)C(OC(C)=O)C(C)C=CN(C)CO;CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=Cc2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)C=CN(C)CO)OC(=O)C)OC)O","InChI=1S/C46H66N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-25,27-31,34,39-41,44,51,54H,10,12-14,16-17,20-22,26H2,1-9H3/b15-11+,19-18?/t27-,28?,29-,30+,31+,34-,39-,40-,41-,44?/m0/s1","","2004-02-09","2011-06-04","(2S,6S,7S)-8-[(10S,16S,20S,21R,22S,24E)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-1-{3-[(hydroxymethyl)(methyl)amino]-1-methylprop-2-en-1-yl}-7-methoxy-2,6-dimethyl-3-oxooctyl acetate",""],["8H5","Verruculogen","C27 H33 N3 O7","COc1ccc2c(c1)n3[CH](OOC(C)(C)C[CH]4N5C(=O)[CH]6CCCN6C(=O)[C]5(O)[CH](O)c2c34)C=C(C)C;CC(=CC1n2c3cc(ccc3c4c2C(CC(OO1)(C)C)N5C(=O)C6CCCN6C(=O)C5(C4O)O)OC)C","InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1","","2021-10-13","2022-08-22","(9~{R},14~{S},17~{S},23~{R},24~{S})-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-23,24-bis(oxidanyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0^{2,7}.0^{8,25}.0^{15,23}.0^{17,21}]pentacosa-1(25),2,4,6-tetraene-16,22-dione","2021-12-15"],["8H6","S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate","C17 H30 N2 O6 S","CCC(=O)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO;CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O","InChI=1S/C17H30N2O6S/c1-5-12(21)11(2)16(25)26-9-8-18-13(22)6-7-19-15(24)14(23)17(3,4)10-20/h11,14,20,23H,5-10H2,1-4H3,(H,18,22)(H,19,24)/t11-,14+/m1/s1","","2017-07-07","2018-06-01","~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2~{R})-2-methyl-3-oxidanylidene-pentanethioate","2018-06-06"],["ULB","3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole","C16 H15 N3 O","Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3;Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3","InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)","","2021-03-01","2021-03-19","3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole","2021-03-24"],["8H7","(2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid","C34 H29 N3 O6","C[CH](O)[CH](NCc1cc2C(=O)N(C(=O)c2cc1OCc3cccc(c3)C#N)c4cccc(c4C)c5ccccc5)C(O)=O;Cc1c(cccc1N2C(=O)c3cc(c(cc3C2=O)OCc4cccc(c4)C#N)CNC(C(C)O)C(=O)O)c5ccccc5","InChI=1S/C34H29N3O6/c1-20-26(24-10-4-3-5-11-24)12-7-13-29(20)37-32(39)27-15-25(18-36-31(21(2)38)34(41)42)30(16-28(27)33(37)40)43-19-23-9-6-8-22(14-23)17-35/h3-16,21,31,36,38H,18-19H2,1-2H3,(H,41,42)/t21-,31-/m0/s1","","2021-12-14","2022-09-09","(2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid","2022-09-14"],["ULC","~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate","C18 H20 N2 O2 S","COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2;CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3","InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3","","2023-02-07","2024-02-16","~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate","2024-02-21"],["8H8","2-fluoro-4-hydroxybenzonitrile","C7 H4 F N O","Fc1c(C#N)ccc(O)c1;Oc1ccc(C#N)c(F)c1;c1cc(c(cc1O)F)C#N","InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H","","2014-09-22","2014-12-05","2-fluoro-4-hydroxybenzonitrile","2014-12-10"],["ULD","cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile","C15 H12 F5 N O4 S","N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(=O)C(F)(F)F;O[CH]1c2c(CC1(F)F)c(O[CH]3C[CH](C3)C#N)ccc2[S](=O)(=O)C(F)(F)F;c1cc(c2c(c1OC3CC(C3)C#N)CC(C2O)(F)F)S(=O)(=O)C(F)(F)F","InChI=1S/C15H12F5NO4S/c16-14(17)5-9-10(25-8-3-7(4-8)6-21)1-2-11(12(9)13(14)22)26(23,24)15(18,19)20/h1-2,7-8,13,22H,3-5H2/t7-,8+,13-/m0/s1","","2020-05-21","2021-05-21","cis-3-({(1S)-2,2-difluoro-1-hydroxy-7-[(trifluoromethyl)sulfonyl]-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile","2021-05-26"],["ULE","~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide","C19 H21 N3 O2","CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3CC3;CC(c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3","InChI=1S/C19H21N3O2/c1-12(13-6-4-3-5-7-13)16-10-14(18(23)21-15-8-9-15)11-17(22-16)19(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1","","2021-03-01","2021-07-16","~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide","2021-07-21"],["8H9","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C33 H58 N6 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCCCCCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CCCCCCNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C;CCCCCCNC(=O)C(C(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)O","InChI=1S/C33H58N6O6/c1-10-11-12-13-15-34-28(43)24(40)21(17-19-14-16-35-26(19)41)36-27(42)23-22-20(33(22,8)9)18-39(23)29(44)25(31(2,3)4)37-30(45)38-32(5,6)7/h19-25,40H,10-18H2,1-9H3,(H,34,43)(H,35,41)(H,36,42)(H2,37,38,45)/t19-,20-,21-,22-,23-,24+,25+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["8HA","4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide","C21 H23 Br N4 O3","COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(Br)cccc34)ccc1C;Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)Br","InChI=1S/C21H23BrN4O3/c1-13-6-7-14(12-18(13)29-2)23-20(27)25-10-8-15(9-11-25)26-17-5-3-4-16(22)19(17)24-21(26)28/h3-7,12,15H,8-11H2,1-2H3,(H,23,27)(H,24,28)","","2021-10-14","2022-10-28","4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide","2022-11-02"],["ULF","[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate","C11 H14 F N2 O8 P","O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(F)C2)C3O;O[CH]1[CH]2[CH](F)C[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)NC3=O;C1C(C2C(C1(OC2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F","InChI=1S/C11H14FN2O8P/c12-5-3-11(4-21-23(18,19)20)8(16)7(5)9(22-11)14-2-1-6(15)13-10(14)17/h1-2,5,7-9,16H,3-4H2,(H,13,15,17)(H2,18,19,20)/t5-,7-,8+,9-,11-/m1/s1","","2012-10-29","2013-11-15","[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate","2013-11-20"],["8HB","(2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid","C24 H40 N7 O18 P3 S","C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)=O;CC(C(=O)O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H40N7O18P3S/c1-12(23(36)37)53-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(33)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13+,16+,17+,18-,22+/m0/s1","","2017-02-07","2024-09-27","(2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid","2017-03-15"],["ULG","(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol","C16 H11 F5 O2","FC(F)(F)c1ccc(c2c1C(O)CC2)Oc3cc(F)cc(c3)F;O[CH]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F)(F)F;c1cc(c2c(c1C(F)(F)F)C(CC2)O)Oc3cc(cc(c3)F)F","InChI=1S/C16H11F5O2/c17-8-5-9(18)7-10(6-8)23-14-4-2-12(16(19,20)21)15-11(14)1-3-13(15)22/h2,4-7,13,22H,1,3H2/t13-/m1/s1","","2020-05-21","2021-05-21","(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol","2021-05-26"],["ULH","~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide","C19 H21 N3 O3","CNC(=O)C1=CC(=CN([CH](C)c2ccccc2)C1=O)C(=O)NC3CC3;CC(c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3","InChI=1S/C19H21N3O3/c1-12(13-6-4-3-5-7-13)22-11-14(17(23)21-15-8-9-15)10-16(19(22)25)18(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1","","2021-03-01","2021-07-16","~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide","2021-07-21"],["8HC","8-hydroxyquinoline-2-carboxylic acid","C10 H7 N O3","O=C(O)c1nc2c(O)cccc2cc1;OC(=O)c1ccc2cccc(O)c2n1;c1cc2ccc(nc2c(c1)O)C(=O)O","InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)","","2013-08-08","2014-01-03","8-hydroxyquinoline-2-carboxylic acid","2014-01-08"],["ULI","tetracontane","C40 H82","C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3","n-Tetracontane","2011-08-18","2021-03-01","tetracontane",""],["8HD","N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide","C35 H42 N4 O7 S","c4(ccc(S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1cccc(c1)C(=O)N(C)Cc2nc(co2)C)Cc3ccccc3)=O)cc4)CO;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(=O)N(C)Cc3occ(C)n3)[S](=O)(=O)c4ccc(CO)cc4;Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)NC(Cc3ccccc3)C(CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O","InChI=1S/C35H42N4O7S/c1-24(2)19-39(47(44,45)30-15-13-27(22-40)14-16-30)20-32(41)31(17-26-9-6-5-7-10-26)37-34(42)28-11-8-12-29(18-28)35(43)38(4)21-33-36-25(3)23-46-33/h5-16,18,23-24,31-32,40-41H,17,19-22H2,1-4H3,(H,37,42)/t31-,32+/m0/s1","","2017-02-06","2017-05-05","N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide","2017-05-10"],["8HE","4-(4-cyanophenyl)benzenesulfonamide","C13 H10 N2 O2 S","N[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)C#N;c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C13H10N2O2S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18(15,16)17/h1-8H,(H2,15,16,17)","","2017-02-07","2017-12-22","4-(4-cyanophenyl)benzenesulfonamide","2017-12-27"],["ULJ","5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide","C18 H17 Br F N5 O3","COc3ccc(OC)c(NC(=O)c2c(N)n(Cc1c(F)cc(cc1)Br)nn2)c3;COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1;COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC","InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)","","2020-05-21","2020-11-13","5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide","2020-11-18"],["8HF","propyl (2~{R})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate","C28 H32 Cl N3 O4","CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3c(Cl)cc(nc3c2)c4ccc(cc4)C(C)(C)O;CCCOC(=O)N1CCN(CC1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O","InChI=1S/C28H32ClN3O4/c1-5-14-36-27(34)32-13-12-31(17-18(32)2)26(33)20-8-11-22-23(29)16-24(30-25(22)15-20)19-6-9-21(10-7-19)28(3,4)35/h6-11,15-16,18,35H,5,12-14,17H2,1-4H3/t18-/m1/s1","","2017-07-10","2024-09-27","propyl (2~{R})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate","2018-08-08"],["ULK","~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide","C19 H21 N3 O3","CNC(=O)c1cc(cc(n1)[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C;CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc3)O","InChI=1S/C19H21N3O3/c1-11-8-14(11)22-18(24)13-9-15(21-16(10-13)19(25)20-2)17(23)12-6-4-3-5-7-12/h3-7,9-11,14,17,23H,8H2,1-2H3,(H,20,25)(H,22,24)/t11-,14-,17-/m0/s1","","2021-03-01","2021-07-16","~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide","2021-07-21"],["8HG","2'-DEOXY-8-OXOGUANOSINE","C10 H13 N5 O5","O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)CO;NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO)O3)C(=O)N1;C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O","InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1","","2004-10-21","2011-06-04","2'-deoxy-8-oxoguanosine",""],["ULL","propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate","C26 H24 Br N3 O3","O=C(c1ccc(Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC(C)C)cc1;CC(C)OC(=O)Nc1ccc(cc1)C2=NN([CH](C2)c3ccccc3)C(=O)c4ccc(Br)cc4;CC(C)OC(=O)Nc1ccc(cc1)C2=NN(C(C2)c3ccccc3)C(=O)c4ccc(cc4)Br","InChI=1S/C26H24BrN3O3/c1-17(2)33-26(32)28-22-14-10-18(11-15-22)23-16-24(19-6-4-3-5-7-19)30(29-23)25(31)20-8-12-21(27)13-9-20/h3-15,17,24H,16H2,1-2H3,(H,28,32)/t24-/m0/s1","","2023-09-06","2023-09-08","propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate","2023-09-13"],["8HH","~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine","C13 H13 N5","CCNc1cc(nc2ccnn12)c3cccnc3;CCNc1cc(nc2n1ncc2)c3cccnc3","InChI=1S/C13H13N5/c1-2-15-13-8-11(10-4-3-6-14-9-10)17-12-5-7-16-18(12)13/h3-9,15H,2H2,1H3","","2017-02-07","2017-05-12","~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine","2017-05-17"],["ULM","(6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol","C13 H11 F6 N O2","c1(cnc(c2c1CC(C2O)F)C(F)(F)F)OC3CC(C3)(F)F;O[CH]1[CH](F)Cc2c(OC3CC(F)(F)C3)cnc(c12)C(F)(F)F;c1c(c2c(c(n1)C(F)(F)F)C(C(C2)F)O)OC3CC(C3)(F)F","InChI=1S/C13H11F6NO2/c14-7-1-6-8(22-5-2-12(15,16)3-5)4-20-11(13(17,18)19)9(6)10(7)21/h4-5,7,10,21H,1-3H2/t7-,10-/m1/s1","","2020-05-22","2021-05-21","(6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol","2021-05-26"],["8HI","(3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid","C33 H36 F N3 O7 S","O=S(=O)(N)c1ccc(cc1)NC(=O)c2c(c(c(n2C(C)C)CCC(O)CC(O)CC(=O)O)c3ccc(F)cc3)c4ccccc4;CC(C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)Nc4ccc(cc4)[S](N)(=O)=O;CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CCC(CC(CC(=O)O)O)O","InChI=1S/C33H36FN3O7S/c1-20(2)37-28(17-14-25(38)18-26(39)19-29(40)41)30(22-8-10-23(34)11-9-22)31(21-6-4-3-5-7-21)32(37)33(42)36-24-12-15-27(16-13-24)45(35,43)44/h3-13,15-16,20,25-26,38-39H,14,17-19H2,1-2H3,(H,36,42)(H,40,41)(H2,35,43,44)/t25-,26-/m1/s1","","2008-02-27","2011-06-04","(3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid",""],["ULN","~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide","C21 H23 N3 O3","CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3[CH]4COC[CH]34;CC(c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3C4C3COC4","InChI=1S/C21H23N3O3/c1-12(13-6-4-3-5-7-13)17-8-14(9-18(23-17)21(26)22-2)20(25)24-19-15-10-27-11-16(15)19/h3-9,12,15-16,19H,10-11H2,1-2H3,(H,22,26)(H,24,25)/t12-,15-,16+,19+/m0/s1","","2021-03-01","2021-07-16","~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide","2021-07-21"],["8HJ","7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one","C9 H9 N O2","Oc1ccc2CCC(=O)Nc2c1;c1cc2c(cc1O)NC(=O)CC2","InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)","","2017-02-07","2017-03-10","7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one","2017-03-15"],["ULO","nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane","C15 H33 O P","O=P(CCCCCCCCC)(C(C)C)C(C)C;CCCCCCCCC[P](=O)(C(C)C)C(C)C;CCCCCCCCCP(=O)(C(C)C)C(C)C","InChI=1S/C15H33OP/c1-6-7-8-9-10-11-12-13-17(16,14(2)3)15(4)5/h14-15H,6-13H2,1-5H3","","2022-08-23","2022-10-21","nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane","2022-10-26"],["8HK","4-pyridin-3-ylbenzenesulfonamide","C11 H10 N2 O2 S","N[S](=O)(=O)c1ccc(cc1)c2cccnc2;c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)","","2017-02-07","2017-12-22","4-pyridin-3-ylbenzenesulfonamide","2017-12-27"],["T1C","TIGECYCLINE","C29 H41 N5 O8","O=C2C1=C(O)C4(O)C(=O)C(=C(O)C(C4CC1Cc3c2c(O)c(NC(=O)CNC(C)(C)C)cc3[NH+](C)C)[NH+](C)C)C(=O)N;C[NH+](C)[CH]1[CH]2C[CH]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)[NH+](C)C;CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C(C4(C(CC3C2)C(C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C","InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+2/t12-,14-,21-,29-/m0/s1","","2011-11-07","2014-09-05","(1S,4aS,11aR,12aS)-8-[(N-tert-butylglycyl)amino]-3-carbamoyl-2,4a,5,7-tetrahydroxy-N,N,N',N'-tetramethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-1,10-diaminium","2012-11-16"],["8HL","2-heptyl-4,6-bis(oxidanyl)benzoic acid","C14 H20 O4","CCCCCCCc1cc(O)cc(O)c1C(O)=O;CCCCCCCc1cc(cc(c1C(=O)O)O)O","InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18/h8-9,15-16H,2-7H2,1H3,(H,17,18)","","2021-12-14","2022-01-28","2-heptyl-4,6-bis(oxidanyl)benzoic acid","2022-02-02"],["T1D","5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE","C15 H14 N2 O4 S","O=S3(=O)NC(=O)CN3c2c(OC)ccc(c1ccccc1)c2;COc1ccc(cc1N2CC(=O)N[S]2(=O)=O)c3ccccc3;COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3","InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)","","2004-12-21","2011-06-04","5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide",""],["8HM","6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one","C24 H27 N5 O3 S","N2(c4c(c1ncnn1C2=O)c3CCN(Cc3s4)CC5CCOCC5)Cc6ccc(cc6)OC;COc1ccc(CN2C(=O)n3ncnc3c4c5CCN(CC6CCOCC6)Cc5sc24)cc1;COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O","InChI=1S/C24H27N5O3S/c1-31-18-4-2-16(3-5-18)13-28-23-21(22-25-15-26-29(22)24(28)30)19-6-9-27(14-20(19)33-23)12-17-7-10-32-11-8-17/h2-5,15,17H,6-14H2,1H3","","2017-02-07","2017-04-21","6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one","2017-04-26"],["T1E","1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine","C16 H26 N4 O2","CNC(NC1CCN(CC1)c2cc(OC)cc(OC)c2)=NC;CNC(=NC)NC1CCN(CC1)c2cc(cc(c2)OC)OC","InChI=1S/C16H26N4O2/c1-17-16(18-2)19-12-5-7-20(8-6-12)13-9-14(21-3)11-15(10-13)22-4/h9-12H,5-8H2,1-4H3,(H2,17,18,19)","","2020-12-10","2021-10-15","1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine","2021-10-20"],["8HN","2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid","C22 H21 N7 O3","OC(=O)C[CH]1CCCN1c2cc(Nc3ccc4NC(=O)CCc4c3)n5ncc(C#N)c5n2;c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCCC5CC(=O)O)CCC(=O)N2","InChI=1S/C22H21N7O3/c23-11-14-12-24-29-19(25-15-4-5-17-13(8-15)3-6-20(30)26-17)10-18(27-22(14)29)28-7-1-2-16(28)9-21(31)32/h4-5,8,10,12,16,25H,1-3,6-7,9H2,(H,26,30)(H,31,32)/t16-/m0/s1","","2017-02-07","2017-05-12","2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid","2017-05-17"],["T1F","(4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide","C40 H45 N7 O4","CN1[CH](CN(C1=O)C2=CC=CN([CH](c3ccc(C)cc3)c4cn(nc4c5ccccc5C)C6CCCC6)C2=O)C(=O)NC78CCC(CC7)NC8=O;Cc1ccc(cc1)C(c2cn(nc2c3ccccc3C)C4CCCC4)N5C=CC=C(C5=O)N6CC(N(C6=O)C)C(=O)NC78CCC(CC7)NC8=O","InChI=1S/C40H45N7O4/c1-25-14-16-27(17-15-25)35(31-23-47(29-10-5-6-11-29)43-34(31)30-12-7-4-9-26(30)2)45-22-8-13-32(37(45)49)46-24-33(44(3)39(46)51)36(48)42-40-20-18-28(19-21-40)41-38(40)50/h4,7-9,12-17,22-23,28-29,33,35H,5-6,10-11,18-21,24H2,1-3H3,(H,41,50)(H,42,48)/t28-,33-,35+,40-/m1/s1","","2023-04-19","2023-11-03","(4~{R})-1-[1-[(~{S})-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-~{N}-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide","2023-11-08"],["8HO","2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid","C19 H16 N2 O5","Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12;Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3","InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)","","2017-07-11","2019-10-18","2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid","2019-10-23"],["T1G","(2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA","C26 H40 N7 O18 P3 S","C[CH](O)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23;CC(C(C)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O","InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14-,15+,18+,19+,20-,24+/m0/s1","","2011-08-18","2012-08-03","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-2,2-dimethyl-4-[[3-[2-[(2S,3S)-2-methyl-3-oxidanyl-butanoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate",""],["8HP","6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one","C18 H15 Cl N4 O S","c5c(CN3C(n4c(c2c1CCCCc1sc23)ncn4)=O)ccc(c5)Cl;Clc1ccc(CN2C(=O)n3ncnc3c4c5CCCCc5sc24)cc1;c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl","InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2","","2017-02-07","2017-04-21","6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one","2017-04-26"],["T1H","2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide","C21 H30 N10 O","CNC(NC1CCN(CC1)CC(=O)NCc2ccc3[nH]c(nc3c2)c4cnnn4C)=NC;CNC(=NC)NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C","InChI=1S/C21H30N10O/c1-22-21(23-2)26-15-6-8-31(9-7-15)13-19(32)24-11-14-4-5-16-17(10-14)28-20(27-16)18-12-25-29-30(18)3/h4-5,10,12,15H,6-9,11,13H2,1-3H3,(H,24,32)(H,27,28)(H2,22,23,26)","","2020-12-10","2021-10-15","2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide","2021-10-20"],["T1I","(1P)-[1,1'-biphenyl]-3,3'-diol","C12 H10 O2","Oc1cc(ccc1)c1cc(O)ccc1;Oc1cccc(c1)c2cccc(O)c2;c1cc(cc(c1)O)c2cccc(c2)O","InChI=1S/C12H10O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8,13-14H","3,3'-Biphenol","2022-07-14","2022-10-28","(1P)-[1,1'-biphenyl]-3,3'-diol","2022-11-02"],["8HQ","8-hydroxyquinoline-4-carboxylic acid","C10 H7 N O3","O=C(O)c1c2cccc(O)c2ncc1;OC(=O)c1ccnc2c(O)cccc12;c1cc2c(ccnc2c(c1)O)C(=O)O","InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)","","2013-04-12","2014-09-05","8-hydroxyquinoline-4-carboxylic acid","2014-02-05"],["8HR","propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate","C24 H24 Cl N3 O3","CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(Cl)cc(nc3c2)c4ccccc4;CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4","InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3","","2017-07-11","2024-09-27","propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate","2018-08-08"],["T1J","2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol","C14 H13 N3 O","c3(NCc1c(O)cccc1)nc2ccccc2n3;Oc1ccccc1CNc2[nH]c3ccccc3n2;c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O","InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)","","2020-03-16","2020-03-20","2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol","2020-03-25"],["T1K","2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol","C15 H16 N4 O","CCN(C)c1cc(nc2nccn12)c3ccccc3O;CCN(C)c1cc(nc2n1ccn2)c3ccccc3O","InChI=1S/C15H16N4O/c1-3-18(2)14-10-12(11-6-4-5-7-13(11)20)17-15-16-8-9-19(14)15/h4-10,20H,3H2,1-2H3","","2020-12-11","2021-02-26","2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol","2021-03-03"],["8HS","[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate","C7 H14 N O8 P","CC1(OC(C(=O)NO)C(COP(O)(=O)O)O1)C;CC1(C)O[CH](CO[P](O)(O)=O)[CH](O1)C(=O)NO;CC1(OC(C(O1)C(=O)NO)COP(=O)(O)O)C","InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1","","2017-02-08","2018-08-17","[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate","2018-08-22"],["8HT","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide","C26 H26 F N5 O","FCC(=N)NCCC[CH](NC(=O)c1ccc(cc1)c2ccccc2)c3[nH]c4ccccc4n3;c1ccc(cc1)c2ccc(cc2)C(=O)NC(CCCNC(=N)CF)c3[nH]c4ccccc4n3","InChI=1S/C26H26FN5O/c27-17-24(28)29-16-6-11-23(25-30-21-9-4-5-10-22(21)31-25)32-26(33)20-14-12-19(13-15-20)18-7-2-1-3-8-18/h1-5,7-10,12-15,23H,6,11,16-17H2,(H2,28,29)(H,30,31)(H,32,33)/t23-/m0/s1","","2017-02-07","2024-09-27","~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide","2017-05-24"],["T1L","4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide","C24 H20 Cl N3 O4 S","Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)c(Oc5ccccn5)c4;Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4ccccn4)Cl)C(=O)NS(=O)(=O)C5CC5","InChI=1S/C24H20ClN3O4S/c1-14-18(24(29)28-33(30,31)16-6-7-16)13-19(17-9-11-27-23(14)17)15-5-8-20(25)21(12-15)32-22-4-2-3-10-26-22/h2-5,8-13,16,27H,6-7H2,1H3,(H,28,29)","","2022-12-20","2024-01-05","4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide","2024-01-10"],["8HV","5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide","C24 H26 F N3 O3","N(C(n2cc1c(ccc(F)c1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)(O)C)cc4;CC(C)(O)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccc(F)cc4c3)cc2;CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O","InChI=1S/C24H26FN3O3/c1-24(2,31)22(29)27-11-9-17(10-12-27)16-4-7-21(8-5-16)26-23(30)28-14-18-3-6-20(25)13-19(18)15-28/h3-8,13-15,17,31H,9-12H2,1-2H3,(H,26,30)","","2017-02-09","2017-06-23","5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide","2017-06-28"],["T1M","(2R,3R)-1-benzyl-2-methylpiperidin-3-ol","C13 H19 N O","c2(CN1C(C)C(CCC1)O)ccccc2;C[CH]1[CH](O)CCCN1Cc2ccccc2;CC1C(CCCN1Cc2ccccc2)O","InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1","","2020-03-16","2020-03-20","(2R,3R)-1-benzyl-2-methylpiperidin-3-ol","2020-03-25"],["T1N","(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid","C14 H14 O2 S","O=C(O)C(c1ccc2c(c1)ccc(SC)c2)C;CSc1ccc2cc(ccc2c1)[CH](C)C(O)=O;CC(c1ccc2cc(ccc2c1)SC)C(=O)O","InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1","","2010-07-07","2011-06-04","(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid",""],["8HW","4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid","C27 H25 F2 N O6","Cc1c(COc2cc(F)c(CNCC(=O)CC(O)=O)cc2F)cccc1c3ccc4OCCOc4c3;Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F","InChI=1S/C27H25F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,30H,7-8,11,13-15H2,1H3,(H,32,33)","","2017-02-07","2017-06-23","4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid","2017-06-28"],["8HX","8-hydroxy-3,9-dihydro-1H-purine-2,6-dione","C5 H4 N4 O3","O=C2c1nc(O)nc1NC(=O)N2;Oc1[nH]c2NC(=O)NC(=O)c2n1;c12c([nH]c(n1)O)NC(=O)NC2=O","InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)","8-hydroxyxanthine","2013-10-29","2020-06-17","8-hydroxy-3,9-dihydro-1H-purine-2,6-dione","2014-02-05"],["T1O","5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide","C13 H21 N3 O3 S","O=C2NC1C(SCC1N2)CCCCC(=O)NCC(=O)C;CC(=O)CNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;CC(=O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2","InChI=1S/C13H21N3O3S/c1-8(17)6-14-11(18)5-3-2-4-10-12-9(7-20-10)15-13(19)16-12/h9-10,12H,2-7H2,1H3,(H,14,18)(H2,15,16,19)/t9-,10+,12-/m0/s1","","2017-07-08","2024-09-27","5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide","2018-07-11"],["T1P","3-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE","C13 H21 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(O)O","InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9+/m1/s1","","2004-06-18","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",""],["8HY","N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide","C25 H23 N3 O2","N(C(c1ccc(cc1)NC(n3cc2c(cccc2)c3)=O)=O)CCCc4ccccc4;O=C(Nc1ccc(cc1)C(=O)NCCCc2ccccc2)n3cc4ccccc4c3;c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3","InChI=1S/C25H23N3O2/c29-24(26-16-6-9-19-7-2-1-3-8-19)20-12-14-23(15-13-20)27-25(30)28-17-21-10-4-5-11-22(21)18-28/h1-5,7-8,10-15,17-18H,6,9,16H2,(H,26,29)(H,27,30)","","2017-02-09","2017-06-23","N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide","2017-06-28"],["8HZ","4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol","C21 H19 N3 O","Cc1ccc(Nc2n3cccc(C)c3nc2c4ccc(O)cc4)cc1;Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O","InChI=1S/C21H19N3O/c1-14-5-9-17(10-6-14)22-21-19(16-7-11-18(25)12-8-16)23-20-15(2)4-3-13-24(20)21/h3-13,22,25H,1-2H3","","2017-02-08","2017-05-26","4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol","2017-05-31"],["T1Q","N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide","C20 H23 F2 N5 O4 S","O=S(=O)(Nc3ccc(F)c(C2=Cc1c(nc(nc1)NCCCO)N(C2=O)C)c3F)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C2=Cc3cnc(NCCCO)nc3N(C)C2=O;CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F","InChI=1S/C20H23F2N5O4S/c1-3-9-32(30,31)26-15-6-5-14(21)16(17(15)22)13-10-12-11-24-20(23-7-4-8-28)25-18(12)27(2)19(13)29/h5-6,10-11,26,28H,3-4,7-9H2,1-2H3,(H,23,24,25)","","2012-03-16","2012-05-04","N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide",""],["8I0","(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C34 H52 N6 O6","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCc3ccccc3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C;CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C2(C)C)C(C)(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)NCc4ccccc4)O)C","InChI=1S/C34H52N6O6/c1-32(2,3)26(38-31(46)39-33(4,5)6)30(45)40-18-21-23(34(21,7)8)24(40)28(43)37-22(16-20-14-15-35-27(20)42)25(41)29(44)36-17-19-12-10-9-11-13-19/h9-13,20-26,41H,14-18H2,1-8H3,(H,35,42)(H,36,44)(H,37,43)(H2,38,39,46)/t20-,21-,22-,23-,24-,25+,26+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["T1R","(1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C30 H40 N2 O8 S","c1c(ccc(c1)OC)S(=O)(N(CC(C)C)CC(O)C(NC(OC3C4CC2C(OCC2C3)O4)=O)Cc5ccccc5)=O;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4CO[CH]5O[CH]3C[CH]45;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3COC4C3CC2O4)O)S(=O)(=O)c5ccc(cc5)OC","InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(35,36)23-11-9-22(37-3)10-12-23)17-26(33)25(13-20-7-5-4-6-8-20)31-30(34)40-27-14-21-18-38-29-24(21)15-28(27)39-29/h4-12,19,21,24-29,33H,13-18H2,1-3H3,(H,31,34)/t21-,24-,25+,26-,27-,28+,29-/m1/s1","","2020-01-31","2020-05-08","(1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2020-05-13"],["8I1","2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine","C28 H27 N5 O3","n2c1cc(OC)c(OC)cc1c5c(c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N;COc1cc2ncc3c(N)nc(cc3c2cc1OC)c4cncc(OC[CH](N)Cc5ccccc5)c4;COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OCC(Cc5ccccc5)N","InChI=1S/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/m1/s1","","2009-08-17","2011-06-04","2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine",""],["T1S","4-[(3-chlorophenyl)methyl]morpholine","C11 H14 Cl N O","C1CN(CCO1)Cc2cccc(Cl)c2;Clc1cccc(CN2CCOCC2)c1;c1cc(cc(c1)Cl)CN2CCOCC2","InChI=1S/C11H14ClNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2","","2020-03-16","2020-03-20","4-[(3-chlorophenyl)methyl]morpholine","2020-03-25"],["T1T","7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide","C17 H12 F3 N5 O S","FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25;c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4","InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1","","2020-12-11","2021-07-30","","2021-08-04"],["8I2","(3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone","C60 H90 N6 O14","CC(C)C[CH]1N(C)C(=O)[CH](C)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc2ccc(cc2)N3CCOCC3)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](C)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc4ccc(cc4)N5CCOCC5)OC1=O;CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C","InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1","","2021-10-14","2022-08-22","(3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone","2021-12-15"],["8I4","(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid","C7 H12 O7","O[CH]1[CH](O)[CH](O)[CH]([CH](O)[CH]1O)C(O)=O;C1(C(C(C(C(C1O)O)O)O)O)C(=O)O","InChI=1S/C7H12O7/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,8-12H,(H,13,14)/t1-,2-,3?,4+,5+,6-/m1/s1","(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2021-09-16","2024-09-27","(2~{R},3~{S},5~{S},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid","2022-08-03"],["T1U","(1-methyl-1H-benzimidazol-2-yl)methanol","C9 H10 N2 O","OCc1nc2ccccc2n1C;Cn1c(CO)nc2ccccc12;Cn1c2ccccc2nc1CO","InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3","","2023-08-28","2023-11-24","(1-methyl-1H-benzimidazol-2-yl)methanol","2023-11-29"],["8I5","3N methyl nemycin B","C24 H48 N6 O13","CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O)[CH]1O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N;CNC1CC(C(C(C1OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N","InChI=1S/C24H48N6O13/c1-30-7-2-6(27)13(32)21(19(7)41-22-11(28)16(35)14(33)8(3-25)38-22)43-24-18(37)20(10(5-31)40-24)42-23-12(29)17(36)15(34)9(4-26)39-23/h6-24,30-37H,2-5,25-29H2,1H3/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1","","2021-10-19","2022-10-28","(2~{R},3~{S},4~{R},5~{S},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-2-[(2~{S},3~{R},4~{R},5~{S})-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4-azanyl-6-(methylamino)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-diol","2022-11-02"],["T1V","1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one","C10 H14 N2 O3 S2","N1(CCN(CC1)C(C)=O)S(c2cccs2)(=O)=O;CC(=O)N1CCN(CC1)[S](=O)(=O)c2sccc2;CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2","InChI=1S/C10H14N2O3S2/c1-9(13)11-4-6-12(7-5-11)17(14,15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3","","2020-03-16","2024-09-27","1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8I6","2-nonyl-4,6-bis(oxidanyl)benzoic acid","C16 H24 O4","CCCCCCCCCc1cc(O)cc(O)c1C(O)=O;CCCCCCCCCc1cc(cc(c1C(=O)O)O)O","InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20/h10-11,17-18H,2-9H2,1H3,(H,19,20)","","2021-12-14","2022-01-28","2-nonyl-4,6-bis(oxidanyl)benzoic acid","2022-02-02"],["T1W","[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone","C11 H20 N2 O2","C[CH]1CCCCN1C(=O)N2CCOCC2;CC1CCCCN1C(=O)N2CCOCC2","InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1","","2020-12-13","2022-01-07","[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone","2022-01-12"],["T1X","7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C30 H33 F2 N5 O5 S","COc1ccc(F)c2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)c1nc2c(F)cccc2s1;COc1ccc(F)c2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5cccc(F)c5n4;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(c2nc3c(cccc3s2)F)O)NC(=O)c4cc5c(ccc(c5[nH]4)F)OC","InChI=1S/C30H33F2N5O5S/c1-14(2)11-20(36-29(41)21-13-16-22(42-3)8-7-18(32)24(16)34-21)28(40)35-19(12-15-9-10-33-27(15)39)26(38)30-37-25-17(31)5-4-6-23(25)43-30/h4-8,13-15,19-20,26,34,38H,9-12H2,1-3H3,(H,33,39)(H,35,40)(H,36,41)/t15-,19-,20-,26-/m0/s1","","2022-07-15","2024-09-27","7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2022-08-24"],["8I7","(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C26 H44 N4 O5","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)CC(C)C)C(C)(C)C;CC(C)CC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CO)C[CH]3CCNC3=O)C2(C)C)C(C)(C)C;CC(C)CC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC3CCNC3=O)CO)C2(C)C)C(C)(C)C","InChI=1S/C26H44N4O5/c1-14(2)10-18(32)29-21(25(3,4)5)24(35)30-12-17-19(26(17,6)7)20(30)23(34)28-16(13-31)11-15-8-9-27-22(15)33/h14-17,19-21,31H,8-13H2,1-7H3,(H,27,33)(H,28,34)(H,29,32)/t15-,16-,17-,19-,20-,21+/m0/s1","","2021-09-16","2024-09-27","(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-07-27"],["8I8","[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[(3~{S})-3-[2-[(1~{S})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{R})-5-azanyl-3-[(4~{S},5~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{E})-3-azanyl-6-(azanylmethylidene)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-2-[(2~{S},3~{R},4~{R},5~{S})-3-azanyl-6-(iminomethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]amino]-1-oxidanyl-ethyl]sulfanylethylamino]-3-oxidanyl-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","C46 H82 N13 O30 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCC[CH](O)NCCS[C](C)(O)N[CH]4C[CH](N)[CH](O)[CH](O[CH]5O[CH](CO)[CH](O[CH]6OC(=CN)[CH](O)[CH](O)[CH]6N)[CH]5O)[CH]4O[CH]7O[CH](C=N)[CH](O)[CH](O)[CH]7N;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(NCCSC(C)(NC4CC(C(C(C4OC5C(C(C(C(O5)C=N)O)O)N)OC6C(C(C(O6)CO)OC7C(C(C(C(=CN)O7)O)O)N)O)O)N)O)O)O","InChI=1S/C46H82N13O30P3S/c1-45(2,13-80-92(77,78)89-91(75,76)79-12-21-35(88-90(72,73)74)31(67)41(81-21)59-15-57-25-38(52)55-14-56-39(25)59)37(69)40(70)54-5-4-22(61)53-6-7-93-46(3,71)58-17-8-16(49)26(62)36(33(17)85-42-23(50)29(65)27(63)18(9-47)82-42)87-44-32(68)34(20(11-60)84-44)86-43-24(51)30(66)28(64)19(10-48)83-43/h9-10,14-18,20-24,26-37,41-44,47,53,58,60-69,71H,4-8,11-13,48-51H2,1-3H3,(H,54,70)(H,75,76)(H,77,78)(H2,52,55,56)(H2,72,73,74)/b19-10+,47-9+/t16-,17+,18-,20-,21-,22+,23-,24-,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,41-,42-,43-,44+,46+/m1/s1","","2021-10-19","2022-10-28","[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[(3~{S})-3-[2-[(1~{S})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{R})-5-azanyl-3-[(4~{S},5~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{E})-3-azanyl-6-(azanylmethylidene)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-2-[(2~{S},3~{R},4~{R},5~{S})-3-azanyl-6-(iminomethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]amino]-1-oxidanyl-ethyl]sulfanylethylamino]-3-oxidanyl-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","2022-11-02"],["T1Y","1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C12 H15 F N2 O3 S","N2(CCN(S(c1cccc(c1)F)(=O)=O)CC2)C(=O)C;CC(=O)N1CCN(CC1)[S](=O)(=O)c2cccc(F)c2;CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F","InChI=1S/C12H15FN2O3S/c1-10(16)14-5-7-15(8-6-14)19(17,18)12-4-2-3-11(13)9-12/h2-4,9H,5-8H2,1H3","","2020-03-16","2024-09-27","1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8I9","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate","C34 H60 N7 O17 P3 S","CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29+,33-/m1/s1","","2021-12-14","2022-01-28","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate","2022-02-02"],["T1Z","[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol","C9 H7 Cl2 N3 O","OCc1cn(nn1)c2ccc(Cl)c(Cl)c2;c1cc(c(cc1n2cc(nn2)CO)Cl)Cl","InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2","","2020-12-13","2022-01-07","[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol","2022-01-12"],["T20","3-nitro-N-{1-phenyl-5-[(piperidin-1-yl)methyl]-1H-1,3-benzimidazol-2-yl}benzamide","C26 H25 N5 O3","[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1c1ccccc1;[O-][N+](=O)c1cccc(c1)C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2c5ccccc5;c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)[N+](=O)[O-])CN5CCCCC5","InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32)","","2014-10-24","2026-04-05","3-nitro-N-{1-phenyl-5-[(piperidin-1-yl)methyl]-1H-1,3-benzimidazol-2-yl}benzamide","2016-03-23"],["8IA","~{N},~{N}-dimethylcyclohexanamine","C8 H17 N","CN(C)C1CCCCC1;CN(C)C1CCCCC1","InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3","","2023-03-31","2023-05-26","~{N},~{N}-dimethylcyclohexanamine","2023-05-31"],["T21","2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one","C14 H8 F3 N O2","C3=Cc2c(cc(c1cccc(C(F)(F)F)c1)o2)C(N3)=O;FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2;c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O","InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)","","2015-03-04","2015-09-18","2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one","2015-09-23"],["8IB","2-Hydroxyterephthalic acid","C8 H6 O5","OC(=O)c1ccc(C(O)=O)c(O)c1;c1cc(c(cc1C(=O)O)O)C(=O)O","InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)","2-oxidanylterephthalic acid; 2-hydroxybenzene-1,4-dicarboxylic acid; 2-hydroxyterephthalate","2021-10-19","2022-08-22","2-oxidanylterephthalic acid","2022-03-30"],["T22","2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile","C18 H21 N5 O2","N#Cc1ccccc1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C;CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3ccccc3C#N)C1=O;CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCCC(C3)N","InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1","Alogliptin","2009-02-03","2021-03-01","2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile",""],["8ID","NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE","C21 H27 I N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c(I)nc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N","InChI=1S/C21H26IN7O14P2/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1","3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-8-IODO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]PYRIDINIUM","2006-06-20","2021-03-13","[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-amino-8-iodo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["T23","2'-O-METHYL-3'-METHYL-3'-DEOXY-ARABINOFURANOSYL-THYMINE-5'-PHOSPHATE","C12 H19 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(C2OC)C)COP(=O)(O)O;CO[CH]1[CH](C)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1C(OC(C1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O","InChI=1S/C12H19N2O8P/c1-6-4-14(12(16)13-10(6)15)11-9(20-3)7(2)8(22-11)5-21-23(17,18)19/h4,7-9,11H,5H2,1-3H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1","","1999-12-29","2022-06-13","3'-deoxy-3',5-dimethyl-2'-O-methyluridine 5'-(dihydrogen phosphate)",""],["8IE","(4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine","C18 H17 N5 S","CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n21;C[CH]1CN(Cc2ccccc12)c3nc4ccsc4c5nnc(C)n35;Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5C(C4)C","InChI=1S/C18H17N5S/c1-11-9-22(10-13-5-3-4-6-14(11)13)18-19-15-7-8-24-16(15)17-21-20-12(2)23(17)18/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1","","2021-09-20","2021-09-24","(4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine","2021-09-29"],["T24","(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid","C18 H30 O3","O=C(O)CCCCCCC/C=CC=CC(O)CC=C/CC;CCC=CC[CH](O)C=CC=CCCCCCCCC(O)=O;CCC=CCC(C=CC=CCCCCCCCC(=O)O)O","InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1","","2007-10-05","2011-06-04","(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid",""],["8IF","(Z,2R,4S)-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione","C20 H28 O5","CCCCCC=CC(=O)[CH](C)C[CH](C)C(=O)C1=C(OC)C(=C)OC1=O;CCCCCC=CC(=O)C(C)CC(C)C(=O)C1=C(C(=C)OC1=O)OC","InChI=1S/C20H28O5/c1-6-7-8-9-10-11-16(21)13(2)12-14(3)18(22)17-19(24-5)15(4)25-20(17)23/h10-11,13-14H,4,6-9,12H2,1-3,5H3/t13-,14+/m0/s1","","2021-10-19","2024-12-19","(~{Z},2~{R},4~{S})-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione","2022-11-16"],["T25","(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid","C18 H32 O3","O=C(O)CCCCCCC/C=CCC1OC1CCCCC;CCCCC[CH]1O[CH]1CC=CCCCCCCCC(O)=O;CCCCCC1C(O1)CC=CCCCCCCCC(=O)O","InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1","12R,13S-epoxy-9(Z)-octadecenoic acid","2007-10-10","2020-06-17","(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid",""],["8IG","8-IODO-GUANINE","C5 H4 I N5 O","Ic2nc1c(N=C(NC1=O)N)n2;NC1=Nc2[nH]c(I)nc2C(=O)N1;c12c([nH]c(n1)I)N=C(NC2=O)N","InChI=1S/C5H4IN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)","","1999-08-05","2011-06-04","2-amino-8-iodo-1,9-dihydro-6H-purin-6-one",""],["8IH","(2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid","C17 H13 Cl2 F3 O2","CC[CH](C(O)=O)c1ccc(c2cc(Cl)cc(Cl)c2)c(c1)C(F)(F)F;CCC(c1ccc(c(c1)C(F)(F)F)c2cc(cc(c2)Cl)Cl)C(=O)O","InChI=1S/C17H13Cl2F3O2/c1-2-13(16(23)24)9-3-4-14(15(7-9)17(20,21)22)10-5-11(18)8-12(19)6-10/h3-8,13H,2H2,1H3,(H,23,24)/t13-/m1/s1","","2022-03-08","2023-03-03","(2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid","2023-03-08"],["T26","(2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID","C23 H21 N3 O6 S2","OC(=O)CC[CH](NC(=O)c1cccc(NCc2ccc(cc2)C=C3SC(=S)NC3=O)c1)C(O)=O;c1cc(cc(c1)NCc2ccc(cc2)C=C3C(=O)NC(=S)S3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-10-/t17-/m1/s1","","2010-12-09","2011-12-23","(2R)-2-[[3-[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid",""],["8II","3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol","C18 H18 Cl N5 O","OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1;OCCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2;c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCCO","InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)","","2021-09-20","2022-11-04","3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol","2022-11-09"],["T27","4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile","C22 H18 N6","N#CC=Cc1cc(c(c(c1)C)Nc2nc(ncc2)Nc3ccc(C#N)cc3)C;Cc1cc(C=CC#N)cc(C)c1Nc2ccnc(Nc3ccc(cc3)C#N)n2;Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)C=CC#N","InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+","Rilpivirine","2007-11-21","2020-06-17","4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile",""],["8IJ","(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate","C45 H87 O13 P","OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40-,41-,42+,43-,44-,45-/m1/s1","","2023-04-20","2023-05-05","(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate","2023-05-10"],["T28","11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine","C15 H13 Br N4","Brc3cc4c2c1nc(ncc1CCCc2nc4cc3)N;Nc1ncc2CCCc3[nH]c4ccc(Br)cc4c3c2n1;c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N","InChI=1S/C15H13BrN4/c16-9-4-5-11-10(6-9)13-12(19-11)3-1-2-8-7-18-15(17)20-14(8)13/h4-7,19H,1-3H2,(H2,17,18,20)","","2013-01-11","2013-04-12","11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine","2013-04-17"],["T29","TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)","C22 H34 B N5 O5 S","O=C(NC(B(O)O)CCCSC(=[N@H])N)C2N(C(=O)C(NC(=O)CC)Cc1ccccc1)CCC2;CCC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCSC(N)=N)B(O)O;B(C(CCCSC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)CC)(O)O","InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1","","1999-07-08","2024-09-27","N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamide",""],["8IK","(2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid","C12 H14 N2 O2","Cc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1;Cc1ccc2c(c1)[nH]cc2CC(C(=O)O)N","InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1","","2021-12-15","2022-10-14","(2~{S})-2-azanyl-3-(6-methyl-1~{H}-indol-3-yl)propanoic acid","2022-10-19"],["8IL","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid","C18 H15 F3 N2 O2","FC(F)(F)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O;OC(=O)c1cc(ccc1NCCc2c[nH]c3ccccc23)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)C(F)(F)F","InChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25)","","2021-09-20","2022-09-23","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid","2022-09-28"],["T2A","5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine","C21 H21 N5 O3","n1c(nn2c(c1)c(nc2c3ccccc3)C)Nc4cc(OC)c(OC)c(OC)c4;COc1cc(Nc2ncc3n(n2)c(nc3C)c4ccccc4)cc(OC)c1OC;Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC","InChI=1S/C21H21N5O3/c1-13-16-12-22-21(25-26(16)20(23-13)14-8-6-5-7-9-14)24-15-10-17(27-2)19(29-4)18(11-15)28-3/h5-12H,1-4H3,(H,24,25)","","2008-10-09","2011-06-04","5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine",""],["8IM","2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide","C52 H68 B F2 N13 O8","Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6ncc7c6nc(N)n8nc(nc78)c9occc9;[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F","InChI=1S/C52H68BF2N13O8/c1-36-31-38(3)66-47(36)42(48-37(2)32-39(4)67(48)53(66,54)55)9-6-5-7-15-57-45(69)34-74-30-29-73-28-27-72-26-25-71-24-16-58-46(70)35-76-41-13-11-40(12-14-41)64-20-17-63(18-21-64)19-22-65-50-43(33-59-65)51-60-49(44-10-8-23-75-44)62-68(51)52(56)61-50/h8,10-14,23,31-33H,5-7,9,15-22,24-30,34-35H2,1-4H3,(H2,56,61)(H,57,69)(H,58,70)","","2021-10-20","2022-08-22","2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]pentyl]ethanamide","2022-03-02"],["T2B","4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol","C15 H15 I2 N O3","Ic2cc(cc(I)c2Oc1ccc(O)cc1)CC(N)CO;N[CH](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1;c1cc(ccc1O)Oc2c(cc(cc2I)CC(CO)N)I","InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1","","2013-09-03","2014-01-31","4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol","2014-02-05"],["8IN","[3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID","C21 H25 N2 O5 P","O=P(O)(O)CCCOc1cc2c(cc1)n(c(c2CC(=O)N)C)Cc3ccccc3;Cc1n(Cc2ccccc2)c3ccc(OCCC[P](O)(O)=O)cc3c1CC(N)=O;Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N","InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)","","1999-11-04","2011-06-04","(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-methyl-1H-indol-5-yl]oxy}propyl)phosphonic acid",""],["T2C","(2S)-1,3-thiazolidine-2-carboxylic acid","C4 H7 N O2 S","C1(C(O)=O)NCCS1;OC(=O)[CH]1NCCS1;C1CSC(N1)C(=O)O","InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1","","2019-09-25","2025-09-19","(2S)-1,3-thiazolidine-2-carboxylic acid","2020-03-18"],["8IO","[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2S,3R,5R,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate","C43 H81 O13 P","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38-,39-,40-,41+,42+,43-/m1/s1","","2021-12-16","2022-03-04","[(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate","2022-03-09"],["T2D","1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE","C8 H8 N2 O3 S","O=S2(=O)NC(=O)CN2c1ccccc1;O=C1CN(c2ccccc2)[S](=O)(=O)N1;c1ccc(cc1)N2CC(=O)NS2(=O)=O","InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)","","2006-10-19","2011-06-04","5-phenyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide",""],["8IP","N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE","C17 H16 N4","n1cccc(c1)c2cccc(c2)CNc3cccnc3N;Nc1ncccc1NCc2cccc(c2)c3cccnc3;c1cc(cc(c1)c2cccnc2)CNc3cccnc3N","InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)","","2007-01-12","2011-06-04","N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine",""],["T2E","5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid","C13 H13 N3 O2","Nc1ccc(NCc2cccnc2)c(c1)C(O)=O;c1cc(cnc1)CNc2ccc(cc2C(=O)O)N","InChI=1S/C13H13N3O2/c14-10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)","","2020-12-13","2022-01-07","5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid","2022-01-12"],["8IQ","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid","C18 H15 F3 N2 O3","FC(F)(F)Oc1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O;OC(=O)c1cc(OC(F)(F)F)ccc1NCCc2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)OC(F)(F)F","InChI=1S/C18H15F3N2O3/c19-18(20,21)26-12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25)","","2021-09-20","2022-09-23","2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid","2022-09-28"],["T2F","4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid","C16 H12 Cl N O2","Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3;Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O","InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)","","2022-12-20","2024-01-05","4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid","2024-01-10"],["8IR","N-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide","C25 H19 Cl N4 O3","COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccncn3)c4ccccc4Cl;COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4","InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)","","2015-08-31","2016-01-08","N-(2-chlorophenyl)-4-[(4-methoxyphenyl)carbonylamino]-N-pyrimidin-4-yl-benzamide","2016-01-13"],["T2G","1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one","C14 H20 N2 O","N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C;CC(=O)N1CCN(CC1)Cc2cccc(C)c2;Cc1cccc(c1)CN2CCN(CC2)C(=O)C","InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3","","2020-03-16","2024-09-27","1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["T2H","5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine","C10 H11 N3 O S","CCOc1cccc(c1)c2sc(N)nn2;CCOc1cccc(c1)c2nnc(s2)N","InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13)","","2020-12-13","2022-01-07","5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine","2022-01-12"],["8IS","N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide","C24 H32 N2 O2","O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3;c1ccc(cc1)C(c2ccccc2)C(=O)NCC(CNCC3CCCCC3)O","InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m0/s1","N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide","2021-10-21","2022-11-11","~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide","2022-11-16"],["8IT","(2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid","C14 H13 F N2 O2","CC[CH](C(O)=O)c1ccc(c(F)c1)c2cncnc2;CCC(c1ccc(c(c1)F)c2cncnc2)C(=O)O","InChI=1S/C14H13FN2O2/c1-2-11(14(18)19)9-3-4-12(13(15)5-9)10-6-16-8-17-7-10/h3-8,11H,2H2,1H3,(H,18,19)/t11-/m1/s1","","2022-03-08","2023-03-03","(2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid","2023-03-08"],["T2I","1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C28 H24 N2 O5","CN1C(=O)N(Cc2cccc3ccccc23)C(=O)c4c(C)c(ccc14)C(=O)C5=C(O)CCCC5=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3cccc4c3cccc4)C(=O)C5=C(CCCC5=O)O","InChI=1S/C28H24N2O5/c1-16-19(26(33)25-22(31)11-6-12-23(25)32)13-14-21-24(16)27(34)30(28(35)29(21)2)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-10,13-14,31H,6,11-12,15H2,1-2H3","","2023-04-19","2023-12-15","1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2023-12-20"],["T2J","1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one","C12 H15 N3 O3","N2(c1ccccc1[N+]([O-])=O)CCN(CC2)C(=O)C;CC(=O)N1CCN(CC1)c2ccccc2[N+]([O-])=O;CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-]","InChI=1S/C12H15N3O3/c1-10(16)13-6-8-14(9-7-13)11-4-2-3-5-12(11)15(17)18/h2-5H,6-9H2,1H3","","2020-03-16","2024-09-27","1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one","2020-03-25"],["8IU","(3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine","C18 H21 N5","CN(C)C1CCN(C1)c1cc(nc2ccnn12)c1ccccc1;CN(C)[CH]1CCN(C1)c2cc(nc3ccnn23)c4ccccc4;CN(C)C1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4","InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m1/s1","","2021-09-20","2021-11-12","(3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine","2021-11-17"],["8IV","N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide","C24 H32 N2 O2","O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3;c1ccc(cc1)C(c2ccccc2)C(=O)NCC(CNCC3CCCCC3)O","InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m1/s1","N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide","2021-10-21","2022-11-11","~{N}-[(2~{R})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide","2022-11-16"],["T2K","3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid","C18 H13 Cl2 N O3","OC(=O)CCc1oc(c2cc(Cl)cc(Cl)c2)c(n1)c3ccccc3;c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl","InChI=1S/C18H13Cl2NO3/c19-13-8-12(9-14(20)10-13)18-17(11-4-2-1-3-5-11)21-15(24-18)6-7-16(22)23/h1-5,8-10H,6-7H2,(H,22,23)","","2020-12-13","2021-01-08","3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid","2021-01-13"],["8IW","5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide","C23 H20 N4 O4","COc1cc(O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C;CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4cc(c(cc4OC)O)C=O","InChI=1S/C23H20N4O4/c1-27(2)23(30)15-4-13(8-24-9-15)14-5-18-19(11-26-22(18)25-10-14)17-6-16(12-28)20(29)7-21(17)31-3/h4-12,29H,1-3H3,(H,25,26)","","2021-12-17","2022-04-22","5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide","2022-04-27"],["T2L","(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C30 H37 F4 N5 O5 S","FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5cccc(F)c5n4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5c(cccc5s4)F)O)C","InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-14-18(29(14,4)5)20(39)24(42)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20-22,40H,9-12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,14-,16-,18-,20-,21-,22+/m0/s1","","2022-07-15","2024-09-27","(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2022-09-21"],["8IX","N-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine","C22 H29 N O3","O=C(O)C(Cc1ccccc1)NC(=O)C12CC3(C)CC(CC(C)(C1)C3)C2;C[C]12CC3C[C](C)(C1)CC(C3)(C2)C(=O)N[CH](Cc4ccccc4)C(O)=O;CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(Cc4ccccc4)C(=O)O)C","InChI=1S/C22H29NO3/c1-20-9-16-10-21(2,12-20)14-22(11-16,13-20)19(26)23-17(18(24)25)8-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,23,26)(H,24,25)/t16-,17-,20+,21-,22-/m1/s1","","2021-09-20","2021-11-12","N-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine","2021-11-17"],["T2M","TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE","C7 H13 N3 O2","O=C(OC(C)(C)C)NN(C#N)C;CN(NC(=O)OC(C)(C)C)C#N;CC(C)(C)OC(=O)NN(C)C#N","InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)","","2005-02-07","2024-09-27","tert-butyl 2-cyano-2-methylhydrazinecarboxylate",""],["T2N","3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane","Fe4 O2 S2","O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1;O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1","InChI=1S/4Fe.2O.2S/q;;;;;;;+1","","2020-12-14","2022-01-07","3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane","2022-01-12"],["8IY","(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide","C32 H37 F N4 O5","CO[CH](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5;COC(CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NCC3CC(CN3C(=O)C4CC4)NC(=O)C5CC(CN5)F","InChI=1S/C32H37FN4O5/c1-42-29(19-38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1","","2021-10-22","2022-11-18","(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-1-methoxy-2-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide","2022-11-23"],["T2O","4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide","C19 H17 Cl N2 O3 S","Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)cc4;Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)NS(=O)(=O)C4CC4","InChI=1S/C19H17ClN2O3S/c1-11-16(19(23)22-26(24,25)14-6-7-14)10-17(15-8-9-21-18(11)15)12-2-4-13(20)5-3-12/h2-5,8-10,14,21H,6-7H2,1H3,(H,22,23)","","2022-12-20","2024-01-05","4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide","2024-01-10"],["8IZ","5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione","C10 H14 N2 O6","CN1C=C([CH]2O[CH](CO)[CH](O)[CH]2O)C(=O)NC1=O;CN1C=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1","","2021-12-17","2022-06-17","5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione","2022-06-22"],["T2P","3-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE","C13 H21 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(O)O","InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9+/m0/s1","","2004-06-18","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitol",""],["8J0","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C35 H50 O3","C[CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](O)C6=C;CC(CC#CC(C12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(CC(C6=C)O)O)C","InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24-,25+,26-,29-,30-,31+,32+,33-,34-,35-/m1/s1","","2017-07-13","2018-07-20","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2018-07-25"],["8J1","4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine","C19 H21 N3 O","Nc2nc1cc(ccc1c(c2)C)COc3cc(ccc3)CNC;CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1;Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N","InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)","","2017-02-09","2017-04-28","4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine","2017-05-03"],["T2Q","1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one","C27 H25 F3 N4 O5 S","C[S](=O)(=O)C1CCN(CC1)c2cccc(CN3C=C(C=CC3=O)c4onc(n4)c5ccc(OC(F)(F)F)cc5)c2;CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F","InChI=1S/C27H25F3N4O5S/c1-40(36,37)23-11-13-33(14-12-23)21-4-2-3-18(15-21)16-34-17-20(7-10-24(34)35)26-31-25(32-39-26)19-5-8-22(9-6-19)38-27(28,29)30/h2-10,15,17,23H,11-14,16H2,1H3","","2020-12-14","2021-05-21","1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one","2021-05-26"],["8J2","propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate","C24 H29 N3 O4","CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3;CC1CC(c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C","InChI=1S/C24H29N3O4/c1-14(2)31-24(30)26-22-11-15(3)27(17(5)29)23-10-9-19(13-21(22)23)18-7-6-8-20(12-18)25-16(4)28/h6-10,12-15,22H,11H2,1-5H3,(H,25,28)(H,26,30)/t15-,22+/m0/s1","","2017-02-08","2018-02-23","propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate","2018-02-28"],["T2R","(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate","C33 H44 N4 O8 S","c1(NC(C)C)oc2c(n1)ccc(c2)S(=O)(N(CC(O)C(NC(OC4CC3C5C(OC3)OC4C5)=O)Cc6ccccc6)CC(C)C)=O;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2C[CH]3CO[CH]4O[CH]2C[CH]34)[S](=O)(=O)c5ccc6nc(NC(C)C)oc6c5;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3COC4C3CC2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C","InChI=1S/C33H44N4O8S/c1-19(2)16-37(46(40,41)23-10-11-25-28(14-23)44-32(35-25)34-20(3)4)17-27(38)26(12-21-8-6-5-7-9-21)36-33(39)45-29-13-22-18-42-31-24(22)15-30(29)43-31/h5-11,14,19-20,22,24,26-27,29-31,38H,12-13,15-18H2,1-4H3,(H,34,35)(H,36,39)/t22-,24-,26-,27+,29-,30+,31-/m0/s1","","2020-01-31","2020-05-08","(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate","2020-05-13"],["8J3","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C35 H50 O3","C[CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](O)C6=C;CC(CC#CC(C12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(CC(C6=C)O)O)C","InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24-,25+,26-,29-,30-,31+,32+,33+,34-,35-/m1/s1","","2017-07-13","2018-07-20","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2018-07-25"],["T2S","THYMIDINE-5'-DITHIOPHOSPHORATE","C10 H15 N2 O6 P S2","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)S;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(S)=S)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)S)O","InChI=1S/C10H15N2O6PS2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21)/t6-,7+,8+/m0/s1","","2001-11-02","2022-06-13","5'-O-[(dithiophosphono)]thymidine",""],["T2T","[(2S,3S,5R)-3-[(2S)-3-({[(2R,3S,4R,5R)-3-HYDROXY-4-METHOXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL}AMINO)-2-METHYL-3-OXOPROPYL]-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","C25 H36 N5 O13 P","O=C1C(=CN(C(=O)N1)C2OC(COP(=O)(O)O)C(C2)CC(C(=O)NCC4OC(N3C(=O)NC(=O)C(=C3)C)C(OC)C4O)C)C;CO[CH]1[CH](O)[CH](CNC(=O)[CH](C)C[CH]2C[CH](O[CH]2CO[P](O)(O)=O)N3C=C(C)C(=O)NC3=O)O[CH]1N4C=C(C)C(=O)NC4=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)CC(C)C(=O)NCC3C(C(C(O3)N4C=C(C(=O)NC4=O)C)OC)O","InChI=1S/C25H36N5O13P/c1-11(5-14-6-17(42-16(14)10-41-44(37,38)39)29-8-12(2)21(33)27-24(29)35)20(32)26-7-15-18(31)19(40-4)23(43-15)30-9-13(3)22(34)28-25(30)36/h8-9,11,14-19,23,31H,5-7,10H2,1-4H3,(H,26,32)(H,27,33,35)(H,28,34,36)(H2,37,38,39)/t11-,14-,15+,16+,17+,18+,19+,23+/m0/s1","","2006-05-12","2011-06-04","[(2S,3S,5R)-3-[(2S)-3-({[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",""],["8J4","7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine","C20 H23 N3 O","c31nc(N)ccc1ccc(COc2cc(CNC)cc(c2)CC)c3;CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1;CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC","InChI=1S/C20H23N3O/c1-3-14-8-16(12-22-2)10-18(9-14)24-13-15-4-5-17-6-7-20(21)23-19(17)11-15/h4-11,22H,3,12-13H2,1-2H3,(H2,21,23)","","2017-02-09","2017-04-28","7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine","2017-05-03"],["8J6","4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine","C24 H29 N3 S","CC1(C)CC(CC(C)(C)N1)Nc2scc(n2)c3cccc(c3)c4ccccc4;CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C","InChI=1S/C24H29N3S/c1-23(2)14-20(15-24(3,4)27-23)25-22-26-21(16-28-22)19-12-8-11-18(13-19)17-9-6-5-7-10-17/h5-13,16,20,27H,14-15H2,1-4H3,(H,25,26)","","2017-07-14","2017-12-08","4-(3-phenylphenyl)-~{N}-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine","2017-12-13"],["T2U","2-chloro-1,3-benzoxazole","C7 H4 Cl N O","Clc1nc2ccccc2o1;Clc1oc2ccccc2n1;c1ccc2c(c1)nc(o2)Cl","InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H","","2023-08-28","2023-11-24","2-chloro-1,3-benzoxazole","2023-11-29"],["8J7","4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine","C20 H23 N3","c31nc(N)cc(C)c1ccc(CCc2cc(ccc2)CNC)c3;CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1;Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N","InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)","","2017-02-09","2017-04-28","4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine","2017-05-03"],["T2V","1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one","C14 H16 N2 O S","n2c(C1CCCN(C1)C(C)=O)sc3c2cccc3;CC(=O)N1CCC[CH](C1)c2sc3ccccc3n2;CC(=O)N1CCCC(C1)c2nc3ccccc3s2","InChI=1S/C14H16N2OS/c1-10(17)16-8-4-5-11(9-16)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m1/s1","","2020-03-16","2024-09-27","1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one","2020-03-25"],["8J8","~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide","C27 H32 N2 O4","COc1cc(OCc2cccc(c2C)c3ccccc3)cc(OC)c1CNCCNC(C)=O;Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC","InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)","","2017-02-08","2017-06-23","~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide","2017-06-28"],["T2W","[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate","C27 H44 N2 O5","CNC(=O)O[CH](C)C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]2C[C](C)(O)CC(C)(C)O2;CC(C=CC(=O)NC1CCC(CC1)CC=C(C)C=CC2CC(CC(O2)(C)C)(C)O)OC(=O)NC","InChI=1S/C27H44N2O5/c1-19(8-15-23-17-27(5,32)18-26(3,4)34-23)7-10-21-11-13-22(14-12-21)29-24(30)16-9-20(2)33-25(31)28-6/h7-9,15-16,20-23,32H,10-14,17-18H2,1-6H3,(H,28,31)(H,29,30)/b15-8+,16-9-,19-7+/t20-,21-,22+,23+,27+/m0/s1","","2020-12-14","2024-09-27","[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate","2021-08-04"],["T2X","(2R)-2-hydroxy-5-methylhexanoic acid","C7 H14 O3","CC(C)CCC(O)C(O)=O;CC(C)CC[CH](O)C(O)=O;CC(C)CCC(C(=O)O)O","InChI=1S/C7H14O3/c1-5(2)3-4-6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1","","2022-07-15","2024-09-27","(2R)-2-hydroxy-5-methylhexanoic acid","2023-05-24"],["8J9","(2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid","C25 H32 N2 O6","CCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2ccc(O)cc2)C(O)=O;CCCCC(C(=O)NC(Cc1ccc(cc1)O)C(=O)O)NC(CCc2ccccc2)C(=O)O","InChI=1S/C25H32N2O6/c1-2-3-9-20(26-21(24(30)31)15-12-17-7-5-4-6-8-17)23(29)27-22(25(32)33)16-18-10-13-19(28)14-11-18/h4-8,10-11,13-14,20-22,26,28H,2-3,9,12,15-16H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-,21-,22-/m0/s1","","2021-10-25","2022-08-22","(2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid","2022-02-16"],["8JA","N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide","C12 H18 N4 O5","ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)NC(=O)CCCCCCC(=O)NO","InChI=1S/C12H18N4O5/c17-9(5-3-1-2-4-6-10(18)16-21)14-8-7-13-12(20)15-11(8)19/h7,21H,1-6H2,(H,14,17)(H,16,18)(H2,13,15,19,20)","","2021-12-17","2024-05-24","~{N}-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]-~{N}'-oxidanyl-octanediamide","2024-05-29"],["T2Y","N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide","C10 H11 N O3","c2cc1c(OCO1)cc2CNC(C)=O;CC(=O)NCc1ccc2OCOc2c1;CC(=O)NCc1ccc2c(c1)OCO2","InChI=1S/C10H11NO3/c1-7(12)11-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3,(H,11,12)","","2020-03-16","2024-09-27","N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide","2020-03-25"],["8JB","(2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid","C8 H13 N3 O5 S","N[CH](CSC1=NO[CH](C1)[CH](N)C(O)=O)C(O)=O;C1C(ON=C1SCC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-4,6H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4-,6-/m0/s1","","2017-02-08","2024-09-27","(2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid","2017-04-05"],["T2Z","[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate","C30 H48 O9","CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C;CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O)O","InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1","","2020-12-14","2021-07-30","[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate","2021-08-04"],["8JC","N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide","C27 H28 F3 N7 O3","COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(C)=O;CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F","InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)","","2017-07-14","2024-09-27","~{N}-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide","2017-12-13"],["T3","3,5,3'TRIIODOTHYRONINE","C15 H12 I3 N O4","O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2;N[CH](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O;c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O","InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1","T3; THYROID HORMONE; LIOTHYRONINE","1999-07-12","2024-09-27","O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine",""],["8JD","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","C23 H39 N7 O13 P2 S","Nc2ncnc3n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OCC(C)(C(C(NCCC(NCCSCC)=O)=O)O)C)cnc23;CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C23H39N7O13P2S/c1-4-46-8-7-25-14(31)5-6-26-21(35)18(34)23(2,3)10-41-45(38,39)43-44(36,37)40-9-13-16(32)17(33)22(42-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-34H,4-10H2,1-3H3,(H,25,31)(H,26,35)(H,36,37)(H,38,39)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1","Ethyl Coenzyme A","2017-02-09","2021-03-01","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2018-03-14"],["T30","3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole","C21 H19 F4 N3 O","Fc1ccc(cc1)C4(c3nnc(c2ccc(OC(F)(F)F)cc2)n3C(C)C)CC4;CC(C)n1c(nnc1C2(CC2)c3ccc(F)cc3)c4ccc(OC(F)(F)F)cc4;CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F","InChI=1S/C21H19F4N3O/c1-13(2)28-18(14-3-9-17(10-4-14)29-21(23,24)25)26-27-19(28)20(11-12-20)15-5-7-16(22)8-6-15/h3-10,13H,11-12H2,1-2H3","","2008-05-28","2011-06-04","3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole",""],["8JE","5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide","C29 H24 F N3 O4","Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3;Cn1c2ccc(cc2cn1)C(c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O","InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m0/s1","","2016-12-17","2017-11-17","5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide","2017-11-22"],["T31","THYMIDINE 5'-MONOTHIOPHOSPHATE","C9 H13 N2 O8 P S","O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)O","InChI=1/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1/f/h10,16,21H","","1998-01-07","2009-01-07","5'-O-thiophosphonouridine",""],["8JF","N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide","C18 H17 N3 O","c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3;CC(=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C;Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C","InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)","","2019-10-25","2020-03-27","N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide","2020-04-01"],["T32","6'-ALPHA-METHYL CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE","C12 H19 N2 O7 P","O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O)C;C[CH]1[CH](CO[P](O)(O)=O)[CH](O)C[CH]1N2C=C(C)C(=O)NC2=O;CC1C(CC(C1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C","InChI=1S/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1","","1996-12-07","2011-06-04","[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate",""],["T33","3,3'-DEIODO-THYROXINE","C15 H13 I2 N O4","O=C(O)C(N)Cc2ccc(Oc1cc(I)c(O)cc1)c(I)c2;N[CH](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)I)Oc2ccc(c(c2)I)O","InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1","","1999-07-08","2011-06-04","O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine",""],["8JG","(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid","C20 H32 O4","C43CC(O)C12CC(O)(C(C1)CCC2C3(C)CCCC4(C)C(=O)O)C;C[C]1(O)C[C]23C[CH]1CC[CH]2[C]4(C)CCC[C](C)([CH]4C[CH]3O)C(O)=O;CC12CCCC(C1CC(C34C2CCC(C3)C(C4)(C)O)O)(C)C(=O)O","InChI=1S/C20H32O4/c1-17-7-4-8-18(2,16(22)23)14(17)9-15(21)20-10-12(5-6-13(17)20)19(3,24)11-20/h12-15,21,24H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14+,15-,17+,18-,19-,20-/m1/s1","","2017-02-09","2017-02-17","(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid","2017-02-22"],["8JH","~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","C19 H33 N4 O5 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCCN;CC(C)CC(C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C19H33N4O5P/c1-15(2)12-17(18(24)21-11-7-6-10-20)23-29(26,27)14-22-19(25)28-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14,20H2,1-2H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1","","2017-02-08","2017-06-16","~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","2017-06-21"],["T34","4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide","C15 H16 N2 O2","Cc1ccc(cc1NCc2ccccc2)C(=O)NO;Cc1ccc(cc1NCc2ccccc2)C(=O)NO","InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)","","2018-10-08","2018-10-26","4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide","2018-10-31"],["8JI","N-succinyl-L-phenylglycine","C12 H13 N O5","O=C(O)CCC(=O)NC(C(=O)O)c1ccccc1;OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m0/s1","","2021-09-21","2021-10-01","4-{[(S)-carboxy(phenyl)methyl]amino}-4-oxobutanoic acid","2021-10-06"],["T35","2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid","C33 H35 N3 O9","CC[CH](OC(=O)N(Cc1ccccc1)C(=O)Nc2cc(OC)cc(OC)c2)c3onc(c3)c4ccc(OC(C)(C)C(O)=O)cc4;CCC(c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC","InChI=1S/C33H35N3O9/c1-6-28(29-19-27(35-45-29)22-12-14-24(15-13-22)44-33(2,3)30(37)38)43-32(40)36(20-21-10-8-7-9-11-21)31(39)34-23-16-25(41-4)18-26(17-23)42-5/h7-19,28H,6,20H2,1-5H3,(H,34,39)(H,37,38)/t28-/m0/s1","","2016-11-11","2017-06-30","2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid","2017-07-05"],["8JJ","5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine","C30 H44 N5 O10 P","C1C67CC(C1(C)O)CCC7C2(C(C(CCC2)(C)C(=O)OP(=O)(O)OCC5C(C(C(n3cnc4c3ncnc4N)O5)O)O)CC6O)C;C[C]1(O)C[C]23C[CH]1CC[CH]2[C]4(C)CCC[C](C)([CH]4C[CH]3O)C(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67;CC12CCCC(C1CC(C34C2CCC(C3)C(C4)(C)O)O)(C)C(=O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O","InChI=1S/C30H44N5O10P/c1-27-7-4-8-28(2,18(27)9-19(36)30-10-15(5-6-17(27)30)29(3,40)12-30)26(39)45-46(41,42)43-11-16-21(37)22(38)25(44-16)35-14-34-20-23(31)32-13-33-24(20)35/h13-19,21-22,25,36-38,40H,4-12H2,1-3H3,(H,41,42)(H2,31,32,33)/t15-,16-,17+,18+,19-,21-,22-,25-,27+,28-,29-,30-/m1/s1","","2017-02-09","2017-02-17","5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine","2017-02-22"],["T36","SPLIT LINKAGE THYMIDINE 5'-MONOPHOSPHATE","C10 H15 N2 O7 P","O=C1N=CC(=CN1C2OC(C(O)C2)COP(=O)(O)O)C;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1;CC1=CN(C(=O)N=C1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1/C10H15N2O7P/c1-6-3-11-10(14)12(4-6)9-2-7(13)8(19-9)5-18-20(15,16)17/h3-4,7-9,13H,2,5H2,1H3,(H2,15,16,17)/t7-,8+,9+/m0/s1/f/h15-16H","","2004-07-12","2009-01-07","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one",""],["8JL","4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid","C18 H14 F N O5 S","COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O;COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O","InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)","","2017-07-19","2018-06-01","4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid","2018-06-06"],["T37","3'-AMINO-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE","C10 H16 N3 O7 P","O=C1NC(=O)N(C=C1C)C2OC(C(N)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](N)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N","InChI=1/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h12,16-17H","","1998-01-28","2009-01-07","3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate)",""],["8JM","4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol","C20 H18 N4 O","c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3c4ccc(cc4)O)N;CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3;CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4","InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)","","2017-02-09","2017-10-20","4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol","2017-10-25"],["T38","2'-O-ETHOXYMETHYLENE THYMIDINE 5'-MONOPHOSPHATE","C13 H21 N2 O10 P","P(=O)(O)(O)OCC1OC(C(C1O)OCOCC)N2C(=O)NC(=O)C(C)=C2;CCOCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CCOCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O","InChI=1S/C13H21N2O10P/c1-3-22-6-23-10-9(16)8(5-24-26(19,20)21)25-12(10)15-4-7(2)11(17)14-13(15)18/h4,8-10,12,16H,3,5-6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","1998-07-29","2018-03-14","2'-O-(ethoxymethyl)-5-methyluridine 5'-(dihydrogen phosphate)",""],["8JN","1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione","C21 H28 N4 O3","CCCCN1C(=O)N(C=CCO)c2nc([nH]c2C1=O)C34C[CH]5C[CH](CC3C5)C4;CCCCN1C(=O)c2c(nc([nH]2)C34CC5CC(C3)CC4C5)N(C1=O)C=CCO","InChI=1S/C21H28N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h4,6,13-15,26H,2-3,5,7-12H2,1H3,(H,22,23)/b6-4+/t13-,14+,15-,21-","","2017-02-08","2017-07-21","1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione","2017-07-26"],["T39","2'-O-METHOXYETHYLENE THYMIDINE 5'-MONOPHOSPHATE","C13 H21 N2 O10 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)C(OCCOC)C2O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOC","InChI=1S/C13H21N2O10P/c1-7-5-15(13(18)14-11(7)17)12-10(23-4-3-22-2)9(16)8(25-12)6-24-26(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","1998-07-29","2013-01-10","2'-O-(2-methoxyethyl)-5-methyluridine 5'-(dihydrogen phosphate)",""],["T3A","N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID","C7 H17 N O6 S","O=S(=O)(O)CCCNC(CO)(CO)CO;OCC(CO)(CO)NCCC[S](O)(=O)=O;C(CNC(CO)(CO)CO)CS(=O)(=O)O","InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)","","2005-05-11","2011-06-04","3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propane-1-sulfonic acid",""],["8JO","2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid","C18 H14 F N O5 S","COc1ccc(c2ccccc12)[S](=O)(=O)Nc3ccc(F)c(c3)C(O)=O;COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F","InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)18(21)22/h2-10,20H,1H3,(H,21,22)","","2017-07-19","2018-06-01","2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid","2018-06-06"],["8JP","6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide","C20 H20 N4 O2","c2(c1ccc(C(=O)NC)nc1)cnc(c(c2CC)c3ccc(cc3)O)N;CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc(nc3)C(=O)NC;CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC","InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)","","2017-02-09","2017-10-20","6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide","2017-10-25"],["T3B","2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide","C30 H31 N5 O5 S2","CC(C)C(=O)Nc1sc(cn1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)[S](=O)(=O)Nc4ccccc4;CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4","InChI=1S/C30H31N5O5S2/c1-21(2)27(36)33-30-32-19-26(41-30)28(37)31-17-18-35(20-22-9-5-3-6-10-22)29(38)23-13-15-25(16-14-23)42(39,40)34-24-11-7-4-8-12-24/h3-16,19,21,34H,17-18,20H2,1-2H3,(H,31,37)(H,32,33,36)","","2020-12-14","2021-12-17","2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide","2021-12-22"],["T3C","2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile","C21 H24 N8 S","N#Cc1c(nc(nc1)Nc3cccc(N2CCCNCC2)c3)c4sc(nc4C)NC;CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)N4CCCNCC4)ncc2C#N;Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N","InChI=1S/C21H24N8S/c1-14-19(30-21(23-2)26-14)18-15(12-22)13-25-20(28-18)27-16-5-3-6-17(11-16)29-9-4-7-24-8-10-29/h3,5-6,11,13,24H,4,7-10H2,1-2H3,(H,23,26)(H,25,27,28)","","2012-10-02","2014-09-05","2-{[3-(1,4-diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile","2013-04-17"],["8JQ","~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","C17 H29 N4 O5 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCN;CC(C)CC(C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C17H29N4O5P/c1-13(2)10-15(16(22)19-9-8-18)21-27(24,25)12-20-17(23)26-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12,18H2,1-2H3,(H,19,22)(H,20,23)(H2,21,24,25)/t15-/m0/s1","","2017-02-08","2017-06-16","~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","2017-06-21"],["8JR","2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid","C18 H14 F N O5 S","COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O)=O)c3F;COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O","InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)","","2017-07-20","2018-06-01","2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid","2018-06-06"],["T3D","(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid","C27 H42 N7 O19 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC=CCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC=CCC(=O)O)O","InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b4-3+/t15-,20-,21-,22+,26-/m1/s1","","2019-08-19","2019-12-06","(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid","2019-12-11"],["8JS","4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide","C13 H12 F N3 O2 S2","c1cc(ccc1NC(Nc2ccc(cc2)S(N)(=O)=O)=S)F;N[S](=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1;c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C13H12FN3O2S2/c14-9-1-3-10(4-2-9)16-13(20)17-11-5-7-12(8-6-11)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)","","2017-02-09","2017-10-06","4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide","2017-10-11"],["T3E","3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide","C16 H15 N7 O2 S2","O=S(=O)(N)c1cccc(c1)Nc2ncc(C#N)c(n2)c3sc(nc3C)NC;CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)[S](N)(=O)=O)ncc2C#N;Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N","InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)","","2012-10-02","2014-09-05","3-({5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide","2013-01-04"],["8JT","1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium","C13 H18 N O2","C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2;c1cc2c(cc1C[NH2+]C3CCCC3)OCO2","InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2/p+1","","2017-02-09","2018-02-23","1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium","2018-02-28"],["T3F","(3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate","C16 H27 N3 O14 P2","O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N)O","InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1","thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminogalactose","2009-02-02","2021-03-13","(2R,3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["T3G","1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C12 H14 F2 N2 O3 S","N2(CCN(S(c1c(cccc1F)F)(=O)=O)CC2)C(=O)C;CC(=O)N1CCN(CC1)[S](=O)(=O)c2c(F)cccc2F;CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F","InChI=1S/C12H14F2N2O3S/c1-9(17)15-5-7-16(8-6-15)20(18,19)12-10(13)3-2-4-11(12)14/h2-4H,5-8H2,1H3","","2020-03-16","2024-09-27","1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8JU","FE4-S4-O CLUSTER","Fe4 O S4","O1[Fe]S[Fe]2S[Fe](S[Fe]1)S2;O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3","InChI=1S/4Fe.O.4S","","2017-07-20","2018-06-22","","2018-06-27"],["8JV","(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid","C24 H28 N2 O5","Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CN[CH](CCc3ccccc3)C(O)=O)C(O)=O;Cc1ccc(cc1)C2CCC(N2C(=O)CNC(CCc3ccccc3)C(=O)O)C(=O)O","InChI=1S/C24H28N2O5/c1-16-7-10-18(11-8-16)20-13-14-21(24(30)31)26(20)22(27)15-25-19(23(28)29)12-9-17-5-3-2-4-6-17/h2-8,10-11,19-21,25H,9,12-15H2,1H3,(H,28,29)(H,30,31)/t19-,20+,21-/m0/s1","","2021-10-25","2022-08-22","(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid","2022-02-16"],["T3H","(2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide","C25 H30 N10 O","CNC(Nc1ccc(cc1)N2CCC[CH]2C(=O)NCc3ccc4[nH]c(nc4c3)c5cnnn5C)=NC;CNC(=NC)Nc1ccc(cc1)N2CCCC2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C","InChI=1S/C25H30N10O/c1-26-25(27-2)30-17-7-9-18(10-8-17)35-12-4-5-21(35)24(36)28-14-16-6-11-19-20(13-16)32-23(31-19)22-15-29-33-34(22)3/h6-11,13,15,21H,4-5,12,14H2,1-3H3,(H,28,36)(H,31,32)(H2,26,27,30)/t21-/m0/s1","","2020-12-14","2021-10-15","(2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide","2021-10-20"],["8JW","3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one","C6 H5 F3 N2 O","NC1=CC(=CNC1=O)C(F)(F)F;C1=C(C(=O)NC=C1C(F)(F)F)N","InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)","","2017-02-09","2018-02-23","3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one","2018-02-28"],["T3I","4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide","C18 H18 Cl N3 O3 S","CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)cc2)c3cc[nH]c3c1C;Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)NS(=O)(=O)N(C)C","InChI=1S/C18H18ClN3O3S/c1-11-15(18(23)21-26(24,25)22(2)3)10-16(14-8-9-20-17(11)14)12-4-6-13(19)7-5-12/h4-10,20H,1-3H3,(H,21,23)","","2022-12-20","2024-01-05","4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide","2024-01-10"],["T3J","1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one","C12 H14 F N O2","c1(ccc(F)cc1)C2CN(C(C)=O)CCO2;CC(=O)N1CCO[CH](C1)c2ccc(F)cc2;CC(=O)N1CCOC(C1)c2ccc(cc2)F","InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1","","2020-03-16","2024-09-27","1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one","2020-03-25"],["8JX","5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid","C16 H19 N O5 S","COc1ccc(c2ccccc12)[S](=O)(=O)NCCCCC(O)=O;COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O","InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)","","2017-07-20","2018-06-01","5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid","2018-06-06"],["T3K","3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one","C21 H30 N2 O5","COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3;CC(=NOCCC(=O)N1CCOCC1)c2ccc(c(c2)OC3CCCC3)OC","InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+","","2020-12-14","2021-06-25","3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one","2021-06-30"],["8JY","[2-[[(2~{R})-2-hexanoyloxy-3-[(~{E})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{E},4~{E})-hepta-2,4-dienoate","C28 H47 O13 P","CCCCCCOC[CH](CO[P](O)(=O)Oc1c(O)c(O)c(O)c(O)c1OC(=O)CCCCCC)OC(=O)CCCCC;CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OCC(COCCCCCC)OC(=O)CCCCC)O)O)O)O","InChI=1S/C28H47O13P/c1-4-7-10-13-16-22(30)40-27-25(33)23(31)24(32)26(34)28(27)41-42(35,36)38-19-20(18-37-17-14-11-8-5-2)39-21(29)15-12-9-6-3/h20,31-34H,4-19H2,1-3H3,(H,35,36)/t20-/m1/s1","","2021-12-20","2022-02-11","[2-[[(2~{R})-2-hexanoyloxy-3-hexoxy-propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] heptanoate","2022-02-16"],["8JZ","butyl acetate","C6 H12 O2","O=C(OCCCC)C;CCCCOC(C)=O;CCCCOC(=O)C","InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3","","2009-05-27","2011-06-04","butyl acetate",""],["T3M","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid","C20 H19 N3 O5","O=C(O)c1ccc(cc1)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3;COc1cc(cc(OC)c1OC)c2cnc(N)c(n2)c3ccc(cc3)C(O)=O;COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N","InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25)","","2010-07-07","2011-06-04","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid",""],["8K0","5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid","C15 H16 Br N O4 S","OC(=O)CCCCN[S](=O)(=O)c1ccc(Br)c2ccccc12;c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O","InChI=1S/C15H16BrNO4S/c16-13-8-9-14(12-6-2-1-5-11(12)13)22(20,21)17-10-4-3-7-15(18)19/h1-2,5-6,8-9,17H,3-4,7,10H2,(H,18,19)","","2017-07-20","2018-06-01","5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid","2018-06-06"],["T3N","2-(4-acetamidophenoxy)ethanoic acid","C10 H11 N O4","CC(=O)Nc1ccc(OCC(O)=O)cc1;CC(=O)Nc1ccc(cc1)OCC(=O)O","InChI=1S/C10H11NO4/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)","","2020-12-14","2022-01-07","2-(4-acetamidophenoxy)ethanoic acid","2022-01-12"],["8K1","5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine","C30 H42 N5 O10 P","C1(C)(CCCC2(C1CC(C34C2C5CC(C3)C(C)(C4)O5)O)C)C(OP(O)(=O)OCC6C(O)C(O)C(O6)n7cnc8c7ncnc8N)=O;C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C]5(C)CCC[C](C)([CH]5C[CH]4O)C(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78;CC12CCCC(C1CC(C34C2C5CC(C3)C(C4)(O5)C)O)(C)C(=O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O","InChI=1S/C30H42N5O10P/c1-27-5-4-6-28(2,17(27)8-18(36)30-9-14-7-15(22(27)30)44-29(14,3)11-30)26(39)45-46(40,41)42-10-16-20(37)21(38)25(43-16)35-13-34-19-23(31)32-12-33-24(19)35/h12-18,20-22,25,36-38H,4-11H2,1-3H3,(H,40,41)(H2,31,32,33)/t14-,15+,16-,17+,18-,20-,21-,22+,25-,27-,28-,29+,30+/m1/s1","","2017-02-10","2017-02-17","5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine","2017-02-22"],["T3O","4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","C17 H22 O2","Oc1ccc(cc1)C3OC(C2CC=C(C3C2)C)(C)C;CC1=CC[CH]2C[CH]1[CH](OC2(C)C)c3ccc(O)cc3;CC1=CCC2CC1C(OC2(C)C)c3ccc(cc3)O","InChI=1S/C17H22O2/c1-11-4-7-13-10-15(11)16(19-17(13,2)3)12-5-8-14(18)9-6-12/h4-6,8-9,13,15-16,18H,7,10H2,1-3H3/t13-,15-,16-/m0/s1","","2006-03-24","2011-06-04","4-[(1S,2R,5S)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol",""],["T3P","THYMIDINE-3'-PHOSPHATE","C10 H15 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO;CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE","1999-08-26","2020-06-17","3'-thymidylic acid",""],["8K2","5-chloranylthiophene-2-sulfonamide","C4 H4 Cl N O2 S2","N[S](=O)(=O)c1sc(Cl)cc1;c1cc(sc1S(=O)(=O)N)Cl","InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)","","2017-02-09","2018-02-23","5-chloranylthiophene-2-sulfonamide","2018-02-28"],["8K3","3-(2-azanylethyl)-1H-indole-5-carboxamide","C11 H13 N3 O","NCCc1c[nH]c2ccc(cc12)C(N)=O;c1cc2c(cc1C(=O)N)c(c[nH]2)CCN","InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)","","2022-03-08","2022-07-15","3-(2-azanylethyl)-1~{H}-indole-5-carboxamide","2022-07-20"],["T3Q","[(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate","C16 H27 N3 O14 P2","O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N)O","InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12-,13-,15-/m1/s1","thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminoglucose","2009-02-02","2021-03-13","(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["8K4","2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone ","C22 H28 F N O2","c1c(ccc(c1)F)C3(CC(=O)N2CC(C2)OC)C4CC5CC3CC(C4)C5;CO[CH]1CN(C1)C(=O)C[C]2(C3CC4CC(C3)CC2C4)c5ccc(F)cc5;COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F","InChI=1S/C22H28FNO2/c1-26-20-12-24(13-20)21(25)11-22(16-2-4-19(23)5-3-16)17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-18,20H,6-13H2,1H3/t14-,15+,17-,18+,22-","","2017-02-10","2017-10-27","2-[(1R,2s,3S,5S,7S)-2-(4-fluorophenyl)tricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-methoxyazetidin-1-yl)ethan-1-one","2017-11-01"],["T3R","N,5-dimethyl-L-norleucine","C8 H17 N O2","CNC(CCC(C)C)C(=O)O;CN[CH](CCC(C)C)C(O)=O;CC(C)CCC(C(=O)O)NC","InChI=1S/C8H17NO2/c1-6(2)4-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1","","2022-07-15","2024-09-27","N,5-dimethyl-L-norleucine","2023-05-24"],["8K5","[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium","C8 H10 Cl N2 S","NC(=[NH2+])SCc1ccc(Cl)cc1;c1cc(ccc1CSC(=[NH2+])N)Cl","InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)/p+1","","2017-02-09","2018-02-23","[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium","2018-02-28"],["T3S","5'-deoxy-5'-piperidin-1-ylthymidine","C15 H23 N3 O4","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCCC3;CC1=CN([CH]2C[CH](O)[CH](CN3CCCCC3)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3CCCCC3)O","InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1","","2008-05-28","2011-06-04","5'-deoxy-5'-piperidin-1-ylthymidine",""],["T3T","1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine","C14 H14 N2 O2","C1Oc2ccc(CNCc3ccccn3)cc2O1;c1ccnc(c1)CNCc2ccc3c(c2)OCO3","InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2","","2020-12-14","2022-01-07","1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine","2022-01-12"],["8K6","Octadecane","C18 H38","C(CCCCCCCCCCCCCCCC)C;CCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC","InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3","N-Octadecane","2012-08-07","2021-03-01","octadecane","2013-02-08"],["8K7","1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE","C22 H28 F N O3","c1cc(ccc1C3(CC(N2CC(O)C2)=O)C4CC5CC3CC(C4)(C5)OC)F;COC12CC3C[CH](C1)[C](CC(=O)N4C[CH](O)C4)([CH](C3)C2)c5ccc(F)cc5;COC12CC3CC(C1)C(C(C3)C2)(CC(=O)N4CC(C4)O)c5ccc(cc5)F","InChI=1S/C22H28FNO3/c1-27-21-8-14-6-16(9-21)22(17(7-14)10-21,15-2-4-18(23)5-3-15)11-20(26)24-12-19(25)13-24/h2-5,14,16-17,19,25H,6-13H2,1H3/t14-,16-,17+,21-,22-","","2017-02-10","2017-10-27","2-[(1R,2s,3S,5R,7R)-2-(4-fluorophenyl)-5-methoxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one","2017-11-01"],["T3U","4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide","C22 H20 Cl N5 O4 S","CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3cnccn3)c2)c4cc[nH]c4c1C;Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4cnccn4)Cl)C(=O)NS(=O)(=O)N(C)C","InChI=1S/C22H20ClN5O4S/c1-13-16(22(29)27-33(30,31)28(2)3)11-17(15-6-7-26-21(13)15)14-4-5-18(23)19(10-14)32-20-12-24-8-9-25-20/h4-12,26H,1-3H3,(H,27,29)","","2022-12-20","2024-01-05","4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide","2024-01-10"],["T3V","1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C12 H15 F N2 O3 S","N2(CCN(S(c1ccccc1F)(=O)=O)CC2)C(=O)C;CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2F;CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F","InChI=1S/C12H15FN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3","","2020-03-16","2024-09-27","1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8K8","1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione","C21 H30 N4 O3","CCCCN1C(=O)N(CCCO)c2nc([nH]c2C1=O)C34C[CH]5C[CH](CC3C5)C4;CCCCN1C(=O)c2c(nc([nH]2)C34CC5CC(C3)CC4C5)N(C1=O)CCCO","InChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)/t13-,14+,15-,21-","","2017-02-09","2017-07-21","1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione","2017-07-26"],["8K9","(1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one","C30 H44 N2 O3","CCC(C)(C)c1ccc(OC[CH](O)CN2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3)c(c1)C(C)(C)CC;CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCC(CN2CC3CC(C2)C4=CC=CC(=O)N4C3)O","InChI=1S/C30H44N2O3/c1-7-29(3,4)23-12-13-27(25(15-23)30(5,6)8-2)35-20-24(33)19-31-16-21-14-22(18-31)26-10-9-11-28(34)32(26)17-21/h9-13,15,21-22,24,33H,7-8,14,16-20H2,1-6H3/t21-,22+,24+/m0/s1","","2017-07-24","2018-07-20","(1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one","2018-07-25"],["T3W","2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one","C12 H8 I N3 O","Ic1ccc(cc1)c2cn3C(=O)N=CCc3n2;c1cc(ccc1c2cn3c(n2)CC=NC3=O)I","InChI=1S/C12H8IN3O/c13-9-3-1-8(2-4-9)10-7-16-11(15-10)5-6-14-12(16)17/h1-4,6-7H,5H2","","2020-12-14","2021-02-26","2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one","2021-03-03"],["8KA","2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE","C27 H30 F N O3","N1(CC(O)C1)C(=O)CC4(c2ccc(cc2)c3ccc(F)cc3)C6CC5C(C(CC4C5)C6)O;O[CH]1CN(C1)C(=O)C[C]2(C3CC4CC2CC(C3)[CH]4O)c5ccc(cc5)c6ccc(F)cc6;c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O","InChI=1S/C27H30FNO3/c28-23-7-3-17(4-8-23)16-1-5-20(6-2-16)27(13-25(31)29-14-24(30)15-29)21-9-18-10-22(27)12-19(11-21)26(18)32/h1-8,18-19,21-22,24,26,30,32H,9-15H2/t18-,19+,21-,22+,26-,27-/m1/s1","","2017-02-10","2017-10-27","2-[(1R,2S,3S,5R,6S,7S)-2-(4'-fluoro[1,1'-biphenyl]-4-yl)-6-hydroxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one","2017-11-01"],["T3X","4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide","C29 H27 F3 N6 O","FC(F)(F)c1cc(ccc1CN1CCN(C)CC1)NC(=O)c1cc(C#Cc2cc3cn[NH]c3nc2)c(C)cc1;CN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5[nH]ncc5c4)cc2C(F)(F)F;Cc1ccc(cc1C#Cc2cc3cn[nH]c3nc2)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C","InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)","","2023-08-28","2023-12-01","4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide","2023-12-06"],["8KB","(6~{R})-1,4-oxazepan-6-ol","C5 H11 N O2","O[CH]1CNCCOC1;C1COCC(CN1)O","InChI=1S/C5H11NO2/c7-5-3-6-1-2-8-4-5/h5-7H,1-4H2/t5-/m1/s1","","2017-02-09","2018-02-23","(6~{R})-1,4-oxazepan-6-ol","2018-02-28"],["T3Y","25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid","C28 H24 O16 S4","O=S(=O)(O)c1cc5c(O)c(c1)Cc2c(O)c(cc(c2)S(=O)(=O)O)Cc3c(O)c(cc(c3)S(=O)(=O)O)Cc4cc(cc(c4O)C5)S(=O)(=O)O;Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O","InChI=1S/C28H24O16S4/c29-25-13-1-14-6-22(46(36,37)38)8-16(26(14)30)3-18-10-24(48(42,43)44)12-20(28(18)32)4-19-11-23(47(39,40)41)9-17(27(19)31)2-15(25)7-21(5-13)45(33,34)35/h5-12,29-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)","5,11,17,23-tetra-sulphonato-calix[4]arene-25,26,27,28-tetrol","2011-10-14","2021-03-13","25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid",""],["8KC","(2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid","C27 H33 N3 O5","CCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O;CCCCC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(CCc3ccccc3)C(=O)O","InChI=1S/C27H33N3O5/c1-2-3-12-22(29-23(26(32)33)15-14-18-9-5-4-6-10-18)25(31)30-24(27(34)35)16-19-17-28-21-13-8-7-11-20(19)21/h4-11,13,17,22-24,28-29H,2-3,12,14-16H2,1H3,(H,30,31)(H,32,33)(H,34,35)/t22-,23-,24-/m0/s1","","2021-10-25","2022-08-22","(2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid","2022-02-16"],["T3Z","(R)-N-(1-cyclopropylethyl)-6-methylpicolinamide","C12 H16 N2 O","C[CH](NC(=O)c1cccc(C)n1)C2CC2;Cc1cccc(n1)C(=O)NC(C)C2CC2","InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1","~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide","2020-12-14","2021-01-08","~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide","2021-01-13"],["T40","5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one","C21 H23 N3 O","O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCNCC3)C;Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCNCC4)cc3;Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4","InChI=1S/C21H23N3O/c1-15-3-2-4-18-19(15)13-20(23-21(18)25)17-7-5-16(6-8-17)14-24-11-9-22-10-12-24/h2-8,13,22H,9-12,14H2,1H3,(H,23,25)","","2014-07-28","2015-07-02","5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one","2015-07-07"],["8KD","2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE","C22 H29 N O3","c1ccccc1CC3(CC(=O)N2CC(O)C2)C5CC4C(C(CC3C4)C5)O;O[CH]1CN(C1)C(=O)C[C]2(Cc3ccccc3)C4CC5CC2CC(C4)[CH]5O;c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O","InChI=1S/C22H29NO3/c24-19-12-23(13-19)20(25)11-22(10-14-4-2-1-3-5-14)17-6-15-7-18(22)9-16(8-17)21(15)26/h1-5,15-19,21,24,26H,6-13H2/t15-,16+,17-,18+,21-,22-/m0/s1","","2017-02-10","2017-10-27","2-[(1R,2R,3S,5R,6R,7S)-2-benzyl-6-hydroxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one","2017-11-01"],["8KE","[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3S)-3-oxidanylpyrrolidin-1-yl]methanone","C19 H20 N6 O3","COc1ccc(Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[CH](O)C4)cc1;COc1ccc(cc1)Nc2cc(ncn2)n3cc(cn3)C(=O)N4CCC(C4)O","InChI=1S/C19H20N6O3/c1-28-16-4-2-14(3-5-16)23-17-8-18(21-12-20-17)25-10-13(9-22-25)19(27)24-7-6-15(26)11-24/h2-5,8-10,12,15,26H,6-7,11H2,1H3,(H,20,21,23)/t15-/m0/s1","","2023-07-14","2025-08-08","[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3~{S})-3-oxidanylpyrrolidin-1-yl]methanone","2025-08-13"],["T41","1-(2-O-METHYL-BETA-D-ARABINOFURANOSYL)THYMIDINE 5'-MONOPHOSPHATE","C11 H17 N2 O9 P","N1(C(NC(C(C)=C1)=O)=O)C2C(OC)C(C(O2)COP(=O)(O)O)O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC","InChI=1S/C11H17N2O9P/c1-5-3-13(11(16)12-9(5)15)10-8(20-2)7(14)6(22-10)4-21-23(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8+,10-/m1/s1","","1995-10-15","2018-03-14","5-methyl-1-(2-O-methyl-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["8KF","2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid","C20 H13 F3 N2 O2","FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O;OC(=O)c1cc(ccc1Nc2ccc3[nH]c4ccccc4c3c2)C(F)(F)F;c1ccc2c(c1)c3cc(ccc3[nH]2)Nc4ccc(cc4C(=O)O)C(F)(F)F","InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27)","","2021-09-22","2022-09-30","2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid","2022-10-05"],["T42","MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID","C30 H39 B N4 O7","O=C(NC(B(O)O)CCCOC)c1cccn1C(=O)C(NC(O)N2CCOCC2)C(c3ccccc3)c4ccccc4;COCCC[CH](NC(=O)c1cccn1C(=O)[CH](N[CH](O)N2CCOCC2)C(c3ccccc3)c4ccccc4)B(O)O;B(C(CCCOC)NC(=O)c1cccn1C(=O)C(C(c2ccccc2)c3ccccc3)NC(N4CCOCC4)O)(O)O","InChI=1S/C30H39BN4O7/c1-41-19-9-15-25(31(39)40)32-28(36)24-14-8-16-35(24)29(37)27(33-30(38)34-17-20-42-21-18-34)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-14,16,25-27,30,33,38-40H,9,15,17-21H2,1H3,(H,32,36)/t25-,27+,30-/m0/s1","","1999-07-08","2011-06-04","[(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutyl]boronic acid",""],["T43","2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide","C30 H35 F4 N5 O4 S2","FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=S)NC(CC1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=S)N[CH](C[CH]3CCNC3=O)C(=O)c4sc5cccc(F)c5n4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=S)NC(CC3CCNC3=O)C(=O)c4nc5c(cccc5s4)F)C","InChI=1S/C30H35F4N5O4S2/c1-28(2,3)22(38-27(43)30(32,33)34)26(42)39-12-14-18(29(14,4)5)20(39)24(44)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,44)(H,38,43)/t13-,14-,16-,18-,20-,22+/m0/s1","","2022-07-18","2024-09-27","2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide","2022-08-24"],["8KG","2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE","C21 H27 N O3","c1c(cccc1)C3(CC(=O)N2CC(O)C2)C4CC5CC3CC(C4)C5O;O[CH]1CN(C1)C(=O)C[C]2(C3CC4CC2CC(C3)[CH]4O)c5ccccc5;c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O","InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14+,16-,17+,20-,21-/m1/s1","","2017-02-10","2020-06-01","1-(3-hydroxyazetidin-1-yl)-2-[(1R,2S,3S,5R,6S,7S)-6-hydroxy-2-phenyltricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one","2017-11-01"],["8KH","N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide","C52 H60 F3 N9 O7 S","CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4ccc(cc4)C(=O)NCCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O","InChI=1S/C52H60F3N9O7S/c1-31-45(72-30-59-31)34-11-9-32(10-12-34)27-58-49(70)42-25-37(65)29-64(42)50(71)46(51(2,3)4)61-43(66)8-6-7-19-56-47(68)35-15-13-33(14-16-35)36-17-18-41(63-22-20-62(5)21-23-63)40(24-36)60-48(69)38-28-57-44(67)26-39(38)52(53,54)55/h9-18,24,26,28,30,37,42,46,65H,6-8,19-23,25,27,29H2,1-5H3,(H,56,68)(H,57,67)(H,58,70)(H,60,69)(H,61,66)/t37-,42+,46-/m1/s1","Homer (chemical degrader probe)","2021-10-26","2022-08-22","~{N}-[5-[4-[[5-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1~{H}-pyridine-3-carboxamide","2021-11-24"],["T44","3,5,3',5'-TETRAIODO-L-THYRONINE","C15 H11 I4 N O4","O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2;N[CH](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O;c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N","InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1","","1999-07-08","2024-09-27","O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine",""],["8KI","(1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione","C12 H20 N2 O6","C[CH]1CCO[C]2(NC(=O)[CH]1NC2=O)[CH](O)[C](C)(O)CO;CC1CCOC2(C(=O)NC1C(=O)N2)C(C(C)(CO)O)O","InChI=1S/C12H20N2O6/c1-6-3-4-20-12(9(17)11(2,19)5-15)10(18)13-7(6)8(16)14-12/h6-7,9,15,17,19H,3-5H2,1-2H3,(H,13,18)(H,14,16)/t6-,7-,9-,11-,12-/m0/s1","","2021-12-20","2023-02-10","(1~{S},5~{S},6~{S})-5-methyl-1-[(1~{S},2~{S})-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione","2023-02-15"],["T45","METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE","C4 H5 N3 O2","O=C(OC)c1nnnc1;COC(=O)c1cn[nH]n1;COC(=O)c1cn[nH]n1","InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)","","2007-01-10","2011-06-04","methyl 2H-1,2,3-triazole-4-carboxylate",""],["8KK","~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","C18 H31 N4 O5 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCN;CC(C)CC(C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H31N4O5P/c1-14(2)11-16(17(23)20-10-6-9-19)22-28(25,26)13-21-18(24)27-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,23)(H,21,24)(H2,22,25,26)/t16-/m0/s1","","2017-02-09","2017-06-16","~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid","2017-06-21"],["T46","dTDP-4-keto-6-deoxyglucose","C16 H24 N2 O15 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)C1=O;CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O","InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1","","2014-01-08","2014-04-04","(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-04-09"],["8KL","9-O-3'-quinolinium propylberberine","C31 H28 N2 O4","COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OCCC[n+]6cccc7ccccc67;COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7","InChI=1S/C31H28N2O4/c1-34-28-10-9-22-16-27-24-18-30-29(36-20-37-30)17-23(24)11-14-33(27)19-25(22)31(28)35-15-5-13-32-12-4-7-21-6-2-3-8-26(21)32/h2-4,6-10,12,16-19H,5,11,13-15,20H2,1H3/q+2","","2017-07-26","2018-01-19","","2018-01-24"],["T47","1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one","C13 H17 Cl N2 O","N1(CCN(C(C)=O)CC1)Cc2cccc(c2)Cl;CC(=O)N1CCN(CC1)Cc2cccc(Cl)c2;CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl","InChI=1S/C13H17ClN2O/c1-11(17)16-7-5-15(6-8-16)10-12-3-2-4-13(14)9-12/h2-4,9H,5-8,10H2,1H3","","2020-03-16","2024-09-27","1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8KM","N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide","C18 H18 N2 O2 S","C1CC1c2c(ccc(c2)NS(Cc3ccc(cc3)C)(=O)=O)C#N;Cc1ccc(C[S](=O)(=O)Nc2ccc(C#N)c(c2)C3CC3)cc1;Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N","InChI=1S/C18H18N2O2S/c1-13-2-4-14(5-3-13)12-23(21,22)20-17-9-8-16(11-19)18(10-17)15-6-7-15/h2-5,8-10,15,20H,6-7,12H2,1H3","","2017-02-11","2017-11-17","N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide","2017-11-22"],["T48","6'-ALPHA-HYDROXY CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE","C11 H17 N2 O8 P","O=P(O)(O)OCC2C(O)C(N1C=C(C(=O)NC1=O)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(C2O)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c1-5-3-13(11(17)12-10(5)16)7-2-8(14)6(9(7)15)4-21-22(18,19)20/h3,6-9,14-15H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+,9+/m1/s1","","1996-12-07","2011-06-04","[(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate",""],["T49","S4'-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE","C10 H15 N2 O7 P S","O=C1NC(=O)N(C=C1C)C2SC(C(O)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)S2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(S2)COP(=O)(O)O)O","InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(21-8)4-19-20(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1996-06-20","2011-06-04","4'-thiothymidine 5'-(dihydrogen phosphate)",""],["8KN","(2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid","C20 H33 N4 O7 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCN)C(O)=O;CC(C)CC(C(=O)NC(CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C20H33N4O7P/c1-14(2)11-17(18(25)23-16(19(26)27)9-6-10-21)24-32(29,30)13-22-20(28)31-12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,21H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17-/m0/s1","","2017-02-09","2017-06-16","(2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid","2017-06-21"],["8KO","(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide","C16 H25 N3 O4","CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(=O)NO;CC(C)CC(C(=O)NO)NC(=O)C(C(Cc1ccccc1)N)O","InChI=1S/C16H25N3O4/c1-10(2)8-13(15(21)19-23)18-16(22)14(20)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,20,23H,8-9,17H2,1-2H3,(H,18,22)(H,19,21)/t12-,13+,14+/m1/s1","","2017-07-26","2018-07-27","(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["T4A","3,3',5,5'-TETRAIODOTHYROACETIC ACID","C14 H8 I4 O4","Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O;OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1;c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O","InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)","","2001-11-27","2011-06-04","[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid",""],["T4B","((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID","C31 H26 N2 O3","O=C(O)COc5cccc(c1ccccc1n2nc(c(c2CC)c3ccccc3)c4ccccc4)c5;CCc1n(nc(c2ccccc2)c1c3ccccc3)c4ccccc4c5cccc(OCC(O)=O)c5;CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5","InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)","","2006-11-06","2011-06-04","{[2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)biphenyl-3-yl]oxy}acetic acid",""],["8KP","N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide","C18 H20 N2 O2 S","CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C;CCc1cc(N[S](=O)(=O)Cc2ccc(C)cc2)cc(C)c1C#N;CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C","InChI=1S/C18H20N2O2S/c1-4-16-10-17(9-14(3)18(16)11-19)20-23(21,22)12-15-7-5-13(2)6-8-15/h5-10,20H,4,12H2,1-3H3","","2017-02-11","2017-11-24","N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide","2017-11-29"],["8KQ","2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid","C20 H17 F3 N2 O2","FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O;OC(=O)c1cc(ccc1N[CH]2CCc3[nH]c4ccccc4c3C2)C(F)(F)F;c1ccc2c(c1)c3c([nH]2)CCC(C3)Nc4ccc(cc4C(=O)O)C(F)(F)F","InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1","","2021-09-22","2022-09-30","2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid","2022-10-05"],["T4C","4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid","C15 H10 Cl N O2","OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3;c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl","InChI=1S/C15H10ClNO2/c16-11-3-1-9(2-4-11)13-7-10(15(18)19)8-14-12(13)5-6-17-14/h1-8,17H,(H,18,19)","","2022-12-20","2024-01-05","4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid","2024-01-10"],["8KR","(2R)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-N-oxidanyl-pentanamide","C14 H21 N3 O3","CC(C)C[CH](NC(=O)Nc1ccccc1C)C(=O)NO;Cc1ccccc1NC(=O)NC(CC(C)C)C(=O)NO","InChI=1S/C14H21N3O3/c1-9(2)8-12(13(18)17-20)16-14(19)15-11-7-5-4-6-10(11)3/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1","","2017-07-26","2018-07-27","(2~{R})-4-methyl-2-[(2-methylphenyl)carbamoylamino]-~{N}-oxidanyl-pentanamide","2018-08-01"],["T4D","2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile","C13 H15 N3 O3 S","N1(CCN(CC1)C(C)=O)S(c2ccccc2C#N)(=O)=O;CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2C#N;CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N","InChI=1S/C13H15N3O3S/c1-11(17)15-6-8-16(9-7-15)20(18,19)13-5-3-2-4-12(13)10-14/h2-5H,6-9H2,1H3","","2020-03-16","2024-09-27","2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile","2020-03-25"],["8KS","(1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid","C28 H22 O4","C3(C(Oc1cccc2ccccc12)=O)C(C(C(=O)O)C3c4ccccc4)c5ccccc5;OC(=O)[CH]1[CH]([CH]([CH]1c2ccccc2)C(=O)Oc3cccc4ccccc34)c5ccccc5;c1ccc(cc1)C2C(C(C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O","InChI=1S/C28H22O4/c29-27(30)25-23(19-11-3-1-4-12-19)26(24(25)20-13-5-2-6-14-20)28(31)32-22-17-9-15-18-10-7-8-16-21(18)22/h1-17,23-26H,(H,29,30)/t23-,24-,25-,26-/m0/s1","","2017-02-13","2017-08-18","(1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid","2017-08-23"],["T4E","4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol","C15 H11 Cl N4 O","Clc3cc(c1nnc(nc1c2ccccc2)N)ccc3O;Nc1nnc(c2ccc(O)c(Cl)c2)c(n1)c3ccccc3;c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O","InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20)","","2011-12-22","2012-03-16","4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol",""],["8KT","4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid","C9 H5 F3 N2 O2","OC(=O)c1ccc(cc1)C2(N=N2)C(F)(F)F;c1cc(ccc1C(=O)O)C2(N=N2)C(F)(F)F","InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)","","2022-03-09","2023-09-01","4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid","2023-09-06"],["T4F","(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta\nnyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid","C25 H46 N4 O5 S","CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O;CC1(C2CCC1(C(C2)NC(=O)C(CC3CCCCC3)NS(=O)(=O)NC(CCCCN)C(=O)O)C)C","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","tafCPB","2016-09-28","2020-06-17","(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid","2016-10-26"],["T4G","6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine","C16 H15 N5","n2c(nnc(c1cc(nc(c1)C)C)c2c3ccccc3)N;Cc1cc(cc(C)n1)c2nnc(N)nc2c3ccccc3;Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3","InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)","","2011-12-22","2012-03-16","6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine",""],["8KU","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide","C26 H25 Cl N4 O5 S","C3(=O)C(O)=C(C(=O)NCC2Cc1ccccc1O2)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O;OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NC[CH]4Cc5ccccc5O4;c1ccc2c(c1)CC(O2)CNC(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)CSc5ccccc5Cl)O","InChI=1S/C26H25ClN4O5S/c27-17-7-2-4-10-20(17)37-14-21(32)31-11-5-8-18(31)24-29-22(23(33)26(35)30-24)25(34)28-13-16-12-15-6-1-3-9-19(15)36-16/h1-4,6-7,9-10,16,18,33H,5,8,11-14H2,(H,28,34)(H,29,30,35)/t16-,18-/m0/s1","SRI-30027","2017-07-11","2021-03-01","2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2018-01-03"],["T4H","3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide","C12 H11 Cl N2 O3 S","Clc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O;c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O","InChI=1S/C12H11ClN2O3S/c13-9-3-1-2-8(6-9)11(17)14-4-5-15-10(16)7-19-12(15)18/h1-3,6H,4-5,7H2,(H,14,17)","~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide","2020-12-14","2021-01-15","~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide","2021-01-20"],["8KV","N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea","C19 H19 N3 O3","c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3;COc1cc(ccc1c2ocnc2)[CH](C)NC(=O)Nc3ccccc3;CC(c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3","InChI=1S/C19H19N3O3/c1-13(21-19(23)22-15-6-4-3-5-7-15)14-8-9-16(17(10-14)24-2)18-11-20-12-25-18/h3-13H,1-2H3,(H2,21,22,23)/t13-/m0/s1","","2017-02-13","2017-02-17","N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea","2017-02-22"],["8KW","3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol","C15 H16 O3","COc1cc(O)cc(CCc2ccccc2O)c1;COc1cc(cc(c1)O)CCc2ccccc2O","InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3","","2017-02-09","2017-03-24","3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol","2017-03-29"],["T4I","1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C28 H24 N2 O5","CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)c4c(C)c(ccc14)C(=O)C5=C(O)CCCC5=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccc4ccccc4c3)C(=O)C5=C(CCCC5=O)O","InChI=1S/C28H24N2O5/c1-16-20(26(33)25-22(31)8-5-9-23(25)32)12-13-21-24(16)27(34)30(28(35)29(21)2)15-17-10-11-18-6-3-4-7-19(18)14-17/h3-4,6-7,10-14,31H,5,8-9,15H2,1-2H3","","2023-04-19","2023-12-15","1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2023-12-20"],["T4J","N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide","C13 H16 N2 O2 S","N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O;CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2;CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2","InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)","","2020-03-16","2024-09-27","N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide","2020-03-25"],["8KX","3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide","C21 H12 F3 N O6 S","Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](=O)(=O)Nc4ccc(cc4)C(F)(F)F;c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F","InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H","","2017-07-27","2018-08-03","3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide","2018-08-08"],["8KY","{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid","C21 H23 Cl N2 O4","CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OCC(=O)O)c(Cl)cc2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(OCC(O)=O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl","InChI=1S/C21H23ClN2O4/c1-13(2)14-6-5-7-15(10-14)21(3,4)24-20(27)23-16-8-9-17(22)18(11-16)28-12-19(25)26/h5-11H,1,12H2,2-4H3,(H,25,26)(H2,23,24,27)","","2017-02-13","2017-02-24","{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid","2017-03-01"],["T4K","(2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","C24 H35 N4 O19 P3","O=P(OC2OC(C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)O)OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)C)O","InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18-,20+,21-,23-/m1/s1","","2007-05-03","2011-06-04","(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["T4L","(2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol","C19 H28 N8 O","CC(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3[NH]ncc23)n[NH]1;CC(C)c1[nH]nc(Nc2nc(N[CH](CO)C3CCCCC3)nc4[nH]ncc24)c1;CC(C)c1cc(n[nH]1)Nc2c3cn[nH]c3nc(n2)NC(CO)C4CCCCC4","InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m0/s1","","2022-07-18","2022-08-12","(2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol","2022-08-17"],["8KZ","3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol","C15 H14 O3","COc1cc(O)cc(C=Cc2ccc(O)cc2)c1;COc1cc(cc(c1)O)C=Cc2ccc(cc2)O","InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+","Pinostilbene","2021-12-21","2022-12-16","3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol","2022-12-21"],["8L0","(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C14 H20 Cl N3 O3","CC(C)C[CH](NC(=O)NCc1cccc(Cl)c1)C(=O)NO;CC(C)CC(C(=O)NO)NC(=O)NCc1cccc(c1)Cl","InChI=1S/C14H20ClN3O3/c1-9(2)6-12(13(19)18-21)17-14(20)16-8-10-4-3-5-11(15)7-10/h3-5,7,9,12,21H,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1","","2017-07-27","2018-07-27","(2~{S})-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["T4M","N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide","C14 H15 N O","c1(cccc2c1cccc2)C(NC(=O)C)C;C[CH](NC(C)=O)c1cccc2ccccc12;CC(c1cccc2c1cccc2)NC(=O)C","InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1","","2020-03-16","2024-09-27","N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide","2020-03-25"],["8L1","N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea","C22 H20 Cl F3 N4 O2 S","c1(cccc(C(C)=NO)c1)C(C)(C)NC(=O)Nc2cc(c(cc2)Cl)c3nc(cs3)C(F)(F)F;CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)c3scc(n3)C(F)(F)F;CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl","InChI=1S/C22H20ClF3N4O2S/c1-12(30-32)13-5-4-6-14(9-13)21(2,3)29-20(31)27-15-7-8-17(23)16(10-15)19-28-18(11-33-19)22(24,25)26/h4-11,32H,1-3H3,(H2,27,29,31)/b30-12+","","2017-02-13","2017-02-24","N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea","2017-03-01"],["T4N","~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide","C13 H16 N2 O3 S","COc1ccc(NC(=O)C[CH]2SCCNC2=O)cc1;COc1ccc(cc1)NC(=O)CC2C(=O)NCCS2","InChI=1S/C13H16N2O3S/c1-18-10-4-2-9(3-5-10)15-12(16)8-11-13(17)14-6-7-19-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1","","2020-12-14","2021-02-26","~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide","2021-03-03"],["8L2","(2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid","C18 H29 N4 O7 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CN)C(O)=O;CC(C)CC(C(=O)NC(CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C18H29N4O7P/c1-12(2)8-14(16(23)21-15(9-19)17(24)25)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1","","2017-02-09","2017-06-16","(2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid","2017-06-21"],["T4O","4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide","C23 H21 Cl N4 O4 S","CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3ccccn3)c2)c4cc[nH]c4c1C;Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4ccccn4)Cl)C(=O)NS(=O)(=O)N(C)C","InChI=1S/C23H21ClN4O4S/c1-14-17(23(29)27-33(30,31)28(2)3)13-18(16-9-11-26-22(14)16)15-7-8-19(24)20(12-15)32-21-6-4-5-10-25-21/h4-13,26H,1-3H3,(H,27,29)","","2022-12-20","2024-01-05","4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide","2024-01-10"],["8L3","3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine","C18 H20 Cl2 N2 O","Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl;c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl","InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2","","2017-07-27","2018-08-03","3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine","2018-08-08"],["T4P","3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE","C13 H21 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(O)O","InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9-/m1/s1","","2004-06-18","2011-06-04","5-deoxy-5-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",""],["T4Q","2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide","C17 H16 N2 O S2","SCCCNC(=O)c1ccccc1Sc2ccccc2C#N;c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS","InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20)","","2020-12-15","2024-09-27","2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide","2021-07-07"],["8L4","3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide","C17 H19 Cl N4 O2","C(=N)(c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO;CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO;CC(C)(c1cccc(c1)C(=N)NO)NC(=O)Nc2ccc(cc2)Cl","InChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23)","","2017-02-13","2017-02-24","3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide","2017-03-01"],["T4R","5-iodo-1H-pyrazole","C3 H3 I N2","Ic1ccn[NH]1;Ic1[nH]ncc1;c1cn[nH]c1I","InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)","","2023-08-28","2023-11-24","5-iodo-1H-pyrazole","2023-11-29"],["8L5","N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide","C16 H27 N4 O5 P","NCNC(=O)C(CC(C)C)NP(=O)(O)CNC(=O)OCc1ccccc1;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCN;CC(C)CC(C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C16H27N4O5P/c1-12(2)8-14(15(21)18-10-17)20-26(23,24)11-19-16(22)25-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11,17H2,1-2H3,(H,18,21)(H,19,22)(H2,20,23,24)/t14-/m0/s1","","2017-02-09","2024-05-08","N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide","2017-06-21"],["8L6","Physachenolide C","C30 H42 O9","CC=1CC(OC(=O)C=1C)C(C)(O)C1(O)CCC2(O)C3CC4OC44CCCC(=O)C4(C)C3CCC12COC(C)=O;CC(=O)OC[C]12CC[CH]3[CH](C[CH]4O[C]45CCCC(=O)[C]35C)[C]1(O)CC[C]2(O)[C](C)(O)[CH]6CC(=C(C)C(=O)O6)C;CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)CCC6)C)O5)COC(=O)C)O)O)O)C","InChI=1S/C30H42O9/c1-16-13-22(38-24(33)17(16)2)26(5,34)30(36)12-11-28(35)20-14-23-29(39-23)9-6-7-21(32)25(29,4)19(20)8-10-27(28,30)15-37-18(3)31/h19-20,22-23,34-36H,6-15H2,1-5H3/t19-,20+,22-,23+,25-,26-,27+,28+,29+,30+/m0/s1","","2021-09-22","2022-09-16","(22S)-14,17,20-trihydroxy-1,26-dioxo-5beta,6beta,9beta,17alpha-5,6:22,26-diepoxyergost-24-en-18-yl acetate","2022-09-21"],["T4S","1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-HYDROSELENO-5-METHYLPYRIMIDIN-2(1H)-ONE","C10 H15 N2 O7 P Se","O=C1N=C([SeH])C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1[SeH];CC1=CN(C(=O)N=C1[SeH])C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(14)11-9(5)21)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1","","2006-11-06","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-4-selanylpyrimidin-2(1H)-one",""],["8L7","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine","C24 H30 Cl N3 O5","c1(cccc(c1)C(=C)C)C(C)(NC(Nc3ccc(Cl)c(NC2OC(C(C2O)O)CO)c3)=O)C;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3O[CH](CO)[CH](O)[CH]3O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(O3)CO)O)O)Cl","InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22+/m1/s1","","2017-02-13","2017-02-24","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine","2017-03-01"],["T4T","2-tetradecylsulfanylethanoic acid","C16 H32 O2 S","CCCCCCCCCCCCCCSCC(O)=O;CCCCCCCCCCCCCCSCC(=O)O","InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)","","2018-07-10","2020-11-06","2-tetradecylsulfanylethanoic acid","2020-11-11"],["8L8","(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol","C21 H24 O5","OC[CH]1O[CH](CC=Cc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)C=CCC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C21H24O5/c22-13-18-20(24)21(25)19(23)17(26-18)8-4-5-14-9-11-16(12-10-14)15-6-2-1-3-7-15/h1-7,9-12,17-25H,8,13H2/b5-4-/t17-,18-,19-,20-,21-/m1/s1","","2015-07-31","2016-03-04","(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol","2016-03-09"],["T4U","(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine","C11 H14 Cl N","Clc1cc2c(CCNCC2C)cc1;C[CH]1CNCCc2ccc(Cl)cc12;CC1CNCCc2c1cc(cc2)Cl","InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1","Lorcaserin","2022-07-18","2022-08-19","(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine","2022-08-24"],["8L9","5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid","C20 H14 Br Cl2 F N2 O6 S2","Cc1cc(F)c(Br)cc1N[S](=O)(=O)c2ccc(N[S](=O)(=O)c3cc(Cl)cc(Cl)c3)cc2C(O)=O;Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F","InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28)","","2017-07-28","2018-11-02","5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid","2018-11-07"],["T4V","1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one","C17 H20 N2 O","N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23;CC(=O)N1CCN(CC1)Cc2cccc3ccccc23;CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3","InChI=1S/C17H20N2O/c1-14(20)19-11-9-18(10-12-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3","","2020-03-16","2024-09-27","1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["T4W","2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide","C16 H14 N2 O S2","SCCNC(=O)c1ccccc1Sc2ccccc2C#N;c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS","InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19)","","2020-12-15","2024-09-27","2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide","2021-07-07"],["8LA","N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea","C24 H29 Cl N2 O6","c3(C(C)(C)NC(=O)Nc1ccc(c(c1)OC2C(O)C(O)C(CO)O2)Cl)cccc(c3)/C(C)=C;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(O[CH]3O[CH](CO)[CH](O)[CH]3O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC3C(C(C(O3)CO)O)O)Cl","InChI=1S/C24H29ClN2O6/c1-13(2)14-6-5-7-15(10-14)24(3,4)27-23(31)26-16-8-9-17(25)18(11-16)32-22-21(30)20(29)19(12-28)33-22/h5-11,19-22,28-30H,1,12H2,2-4H3,(H2,26,27,31)/t19-,20-,21-,22+/m1/s1","","2017-02-13","2017-03-03","N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea","2017-03-08"],["8LB","(2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid","C21 H35 N4 O7 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCCN)C(O)=O;CC(C)CC(C(=O)NC(CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C21H35N4O7P/c1-15(2)12-18(19(26)24-17(20(27)28)10-6-7-11-22)25-33(30,31)14-23-21(29)32-13-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,22H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1","","2017-02-09","2017-06-16","(2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid","2017-06-21"],["T4X","3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid","C14 H9 F3 O4","OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2;c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F","InChI=1S/C14H9F3O4/c15-14(16,17)21-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(18)6-9/h1-7,18H,(H,19,20)","","2022-12-20","2024-01-05","3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid","2024-01-10"],["8LC","N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE)","C22 H28 N2 O6","Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O","InChI=1S/C22H28N2O6/c25-17-11-7-9-15(19(17)27)21(29)23-13-5-3-1-2-4-6-14-24-22(30)16-10-8-12-18(26)20(16)28/h7-12,25-28H,1-6,13-14H2,(H,23,29)(H,24,30)","","2015-08-19","2016-09-23","N-[8-[[2,3-bis(oxidanyl)phenyl]carbonylamino]octyl]-2,3-bis(oxidanyl)benzamide","2016-09-28"],["T4Y","1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one","C15 H22 N2 O","N2(CCCN(Cc1ccccc1C)CC2)C(=O)C;CC(=O)N1CCCN(CC1)Cc2ccccc2C;Cc1ccccc1CN2CCCN(CC2)C(=O)C","InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3","","2020-03-16","2024-09-27","1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one","2020-03-25"],["T4Z","2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide","C11 H14 Cl N O S2","SCCCNC(=O)CSc1ccc(Cl)cc1;c1cc(ccc1SCC(=O)NCCCS)Cl","InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)","","2020-12-15","2024-09-27","2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide","2021-07-07"],["8LD","2,2'-oxydi(ethyn-1-ol)","C4 H2 O3","OC#COC#CO;OC#COC#CO;C(#COC#CO)O","InChI=1S/C4H2O3/c5-1-3-7-4-2-6/h5-6H","","2017-02-13","2017-05-26","2,2'-oxydi(ethyn-1-ol)","2017-05-31"],["8LE","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate","C14 H20 N5 O9 P","CC(C)(O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C14H20N5O9P/c1-14(2,23)13(22)28-29(24,25)26-3-6-8(20)9(21)12(27-6)19-5-18-7-10(15)16-4-17-11(7)19/h4-6,8-9,12,20-21,23H,3H2,1-2H3,(H,24,25)(H2,15,16,17)/t6-,8-,9-,12-/m1/s1","","2017-02-09","2019-08-23","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate","2019-08-28"],["T50","1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE","C21 H14 F4 N2","Fc1cccc(F)c1Cn2c4cccc(c4nc2c3c(F)cccc3F)C;Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)c4c(F)cccc4F;Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F","InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3","","2005-10-11","2011-06-04","1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1H-benzimidazole",""],["T51","N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide","C34 H35 N5 O5","O=[N+](c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC(=O)c4ccc(cc4)CN5CCN(CC5)C)[O-];CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+]([O-])=O;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]","InChI=1S/C34H35N5O5/c1-37-17-19-38(20-18-37)23-25-13-15-26(16-14-25)33(40)35-22-28-7-2-3-8-29(28)24-44-32-12-5-4-11-31(32)36-34(41)27-9-6-10-30(21-27)39(42)43/h2-16,21H,17-20,22-24H2,1H3,(H,35,40)(H,36,41)","","2015-09-30","2024-09-27","N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide","2016-09-21"],["8LF","~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide","C21 H15 N O6 S","Cc1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O;Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O","InChI=1S/C21H15NO6S/c1-11-6-8-12(9-7-11)29(27,28)22-16-10-15-17(21(26)20(16)25)19(24)14-5-3-2-4-13(14)18(15)23/h2-10,22,25-26H,1H3","","2017-07-31","2018-08-03","~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide","2018-08-08"],["T52","N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide","C30 H39 N4 O8 S","CCCOc1cc(OCCCC[NH3+])cc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1;CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+]","InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3/p+1","~{N}-[6-[3-(4-azanylbutoxy)-5-propoxy-phenoxy]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]-3,4-dimethoxy-benzenesulfonamide","2020-12-15","2022-01-07","4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]oxy-5-propoxy-phenoxy]butylazanium","2022-01-12"],["8LG","pyridine-2,3-diol","C5 H5 N O2","Oc1cccnc1O;Oc1cccnc1O;c1cc(c(nc1)O)O","InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)","","2013-01-24","2013-05-24","pyridine-2,3-diol","2013-05-29"],["8LH","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate","C14 H20 N5 O9 P","C[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(CO)C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H20N5O9P/c1-6(2-20)14(23)28-29(24,25)26-3-7-9(21)10(22)13(27-7)19-5-18-8-11(15)16-4-17-12(8)19/h4-7,9-10,13,20-22H,2-3H2,1H3,(H,24,25)(H2,15,16,17)/t6-,7-,9-,10-,13-/m1/s1","","2017-02-09","2023-09-21","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate","2019-08-28"],["T53","N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide","C34 H35 N5 O5","O=[N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc(ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(COc4ccccc4NC(=O)c5cccc(c5)[N+]([O-])=O)c3;CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]","InChI=1S/C34H35N5O5/c1-37-16-18-38(19-17-37)23-25-12-14-28(15-13-25)33(40)35-22-26-6-4-7-27(20-26)24-44-32-11-3-2-10-31(32)36-34(41)29-8-5-9-30(21-29)39(42)43/h2-15,20-21H,16-19,22-24H2,1H3,(H,35,40)(H,36,41)","","2015-09-30","2024-09-27","N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide","2016-09-21"],["T54","(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide","C10 H13 N O S","c1c(csc1)C2C(C(N)=O)CCC2;NC(=O)[CH]1CCC[CH]1c2cscc2;c1cscc1C2CCCC2C(=O)N","InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1","","2020-03-16","2020-03-20","(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide","2020-03-25"],["8LI","(4Z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4H)-one","C9 H11 N O4 S","O=C1OC(=NC1=C(/S)O)C(=O)CC(C)C;CC(C)CC(=O)C1=NC(=C(O)S)C(=O)O1;CC(C)CC(=O)C1=NC(=C(O)S)C(=O)O1","InChI=1S/C9H11NO4S/c1-4(2)3-5(11)7-10-6(9(13)15)8(12)14-7/h4,13,15H,3H2,1-2H3/b9-6-","","2010-07-07","2011-06-04","(4Z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4H)-one",""],["T55","8-METHYLNONANOIC ACID","C10 H20 O2","O=C(N)CCCCCCC(C)C;CC(C)CCCCCCC(O)=O;CC(C)CCCCCCC(=O)O","InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)","","2009-03-27","2011-06-04","8-methylnonanoic acid",""],["8LJ","(2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid","C5 H7 N O2","C(=O)(O)C1NC=CC1;OC(=O)[CH]1CC=CN1;C1C=CNC1C(=O)O","InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1,3-4,6H,2H2,(H,7,8)/t4-/m0/s1","","2017-02-13","2024-09-27","(2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid","2018-02-14"],["8LK","Pyrrolo-dC","C12 H15 N3 O4","CC1=CC2=CN([CH]3C[CH](O)[CH](CO)O3)C(=O)N=C2N1;CC1=CC2=CN(C(=O)N=C2N1)C3CC(C(O3)CO)O","InChI=1S/C12H15N3O4/c1-6-2-7-4-15(12(18)14-11(7)13-6)10-3-8(17)9(5-16)19-10/h2,4,8-10,16-17H,3,5H2,1H3,(H,13,14,18)/t8-,9+,10+/m0/s1","3-[(2R,4S,5R)-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one; 6-Methyl-3-(beta-D-2-deoxyribofuranosyl)pyrrolo[2,3-d]pyrimidin-2-one; N-Pyrrolo-2'-deoxycytidine","2021-10-28","2022-08-22","3-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-2-one","2021-11-17"],["T56","(E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide","C15 H11 N O3","ONC(=O)C=Cc1cccc2c1oc3ccccc23;c1ccc2c(c1)c3cccc(c3o2)C=CC(=O)NO","InChI=1S/C15H11NO3/c17-14(16-18)9-8-10-4-3-6-12-11-5-1-2-7-13(11)19-15(10)12/h1-9,18H,(H,16,17)/b9-8+","","2021-10-26","2022-08-22","(~{E})-3-dibenzofuran-4-yl-~{N}-oxidanyl-prop-2-enamide","2021-12-15"],["T57","N-{6-[(4-fluorobenzoyl)amino]hexanoyl}-L-gamma-glutamyl-5-{[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-L-norvaline","C28 H40 F N4 O14 P","O=C(c1ccc(F)cc1)NCCCCCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCCOP(=O)(O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](N[P](O)(=O)OCCC[CH](NC(=O)CC[CH](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O;c1cc(ccc1C(=O)NCCCCCC(=O)NC(CCC(=O)NC(CCCOP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F","InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1","","2013-04-17","2014-03-28","N-{6-[(4-fluorobenzoyl)amino]hexanoyl}-L-gamma-glutamyl-5-{[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-L-norvaline","2014-04-02"],["8LL","5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide","C22 H34 N2 O4 S","CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C;CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C","InChI=1S/C22H34N2O4S/c1-4-5-6-7-15-27-17-18-28-16-14-23-29(25,26)22-13-9-10-19-20(22)11-8-12-21(19)24(2)3/h8-13,23H,4-7,14-18H2,1-3H3","","2017-08-02","2017-09-01","5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide","2017-09-06"],["8LM","2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni\nc acid","C21 H26 N4 O8","C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C;CC(C)C(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)n2cc(nn2)c3ccccc3;CC(C)C(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O","InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1","","2017-02-15","2020-07-17","2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni\nc acid","2018-06-27"],["T58","2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione","C43 H53 N O9","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC)c(OCC=CCOc6cccc2c6)c5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCC=CCOc4cc(cc(c4OC)OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6","InChI=1S/C43H53NO9/c1-47-36-21-19-29(25-37(36)48-2)18-20-35-31-15-12-16-33(26-31)51-23-10-11-24-52-39-28-32(27-38(49-3)41(39)50-4)40(30-13-6-5-7-14-30)42(45)44-22-9-8-17-34(44)43(46)53-35/h10-12,15-16,19,21,25-28,30,34-35,40H,5-9,13-14,17-18,20,22-24H2,1-4H3/b11-10+/t34-,35+,40-/m0/s1","","2020-12-15","2021-03-12","","2021-03-17"],["T5A","P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE","C20 H30 N7 O23 P5","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1","","1999-07-08","2011-06-04","[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",""],["8LN","5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine","C20 H21 Cl N8","Cc1nn(cc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C5CCNCC5;Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl","InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)","","2016-03-02","2016-10-14","5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine","2016-10-19"],["8LO","(2R)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-N-oxidanyl-pentanamide","C17 H27 N3 O3","CCc1cccc(CC)c1NC(=O)N[CH](CC(C)C)C(=O)NO;CCc1cccc(c1NC(=O)NC(CC(C)C)C(=O)NO)CC","InChI=1S/C17H27N3O3/c1-5-12-8-7-9-13(6-2)15(12)19-17(22)18-14(10-11(3)4)16(21)20-23/h7-9,11,14,23H,5-6,10H2,1-4H3,(H,20,21)(H2,18,19,22)/t14-/m1/s1","","2017-08-02","2018-07-27","(2~{R})-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide","2018-08-01"],["T5B","2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione","C43 H55 N O11","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)c5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCC(C(COc4cc(cc(c4OC)OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)O)O","InChI=1S/C43H55NO11/c1-49-36-19-17-27(21-37(36)50-2)16-18-35-29-13-10-14-31(22-29)53-25-33(45)34(46)26-54-39-24-30(23-38(51-3)41(39)52-4)40(28-11-6-5-7-12-28)42(47)44-20-9-8-15-32(44)43(48)55-35/h10,13-14,17,19,21-24,28,32-35,40,45-46H,5-9,11-12,15-16,18,20,25-26H2,1-4H3/t32-,33+,34+,35+,40-/m0/s1","","2020-12-15","2021-03-12","","2021-03-17"],["T5C","2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM","C32 H39 N2 O12 S4","O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O;CC(C=CC=C1N(CC[S](O)(=O)=O)c2ccc(cc2C1(C)C)[S](O)(=O)=O)=CC=CC3=[N+](CC[S](O)(=O)=O)c4ccc(cc4C3(C)C)[S](O)(=O)=O;CC(=CC=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C=CC=C3C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C","InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1","TETRASULFOCYANINE","2006-12-03","2021-03-01","2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium",""],["8LP","6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione","C27 H23 N3 O3","N5C=2C(=CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4ccccc4)C5=O;O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4;c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5","InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32)","","2017-02-15","2017-07-14","6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione","2017-07-19"],["8LQ","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{S})-3-oxidanylbutanoate","C14 H20 N5 O9 P","C[CH](O)CC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(CC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C14H20N5O9P/c1-6(20)2-8(21)28-29(24,25)26-3-7-10(22)11(23)14(27-7)19-5-18-9-12(15)16-4-17-13(9)19/h4-7,10-11,14,20,22-23H,2-3H2,1H3,(H,24,25)(H2,15,16,17)/t6-,7+,10+,11+,14+/m0/s1","","2017-02-09","2019-08-23","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{S})-3-oxidanylbutanoate","2019-08-28"],["T5D","[1-(pyridin-2-yl)cyclopentyl]methanol","C11 H15 N O","c1ccc(nc1)C2(CCCC2)CO;OCC1(CCCC1)c2ccccn2;c1ccnc(c1)C2(CCCC2)CO","InChI=1S/C11H15NO/c13-9-11(6-2-3-7-11)10-5-1-4-8-12-10/h1,4-5,8,13H,2-3,6-7,9H2","","2020-03-16","2020-03-20","[1-(pyridin-2-yl)cyclopentyl]methanol","2020-03-25"],["T5E","2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1\n,3,6,8(2H,7H)-tetrone","C50 H80 N12 O4","O=C6c2c5c3c(c(NCCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCCN4CCN(C)CC4)c5C(=O)N6CCCCN7CCN(CC7)C)CCCCN8CCN(C)CC8;CN1CCN(CCCCNc2cc3C(=O)N(CCCCN4CCN(C)CC4)C(=O)c5c(NCCCCN6CCN(C)CC6)cc7C(=O)N(CCCCN8CCN(C)CC8)C(=O)c2c7c35)CC1;CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C","InChI=1S/C50H80N12O4/c1-53-21-29-57(30-22-53)15-7-5-13-51-41-37-39-44-43-40(48(64)61(49(65)45(41)43)19-11-9-17-59-33-25-55(3)26-34-59)38-42(52-14-6-8-16-58-31-23-54(2)24-32-58)46(44)50(66)62(47(39)63)20-12-10-18-60-35-27-56(4)28-36-60/h37-38,51-52H,5-36H2,1-4H3","BMSG-SH2","2011-08-03","2020-06-17","2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone",""],["8LR","2-hydroxyethyl alpha-D-mannopyranoside","C8 H16 O7","O(CCO)C1OC(C(O)C(O)C1O)CO;OCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(COC1C(C(C(C(O1)CO)O)O)O)O","InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1","2-hydroxyethyl alpha-D-mannoside; 2-hydroxyethyl D-mannoside; 2-hydroxyethyl mannoside","2014-04-22","2024-09-27","2-hydroxyethyl alpha-D-mannopyranoside","2015-04-22"],["8LS","6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione","C29 H25 F N4 O3","c51CCC(Oc1cc(N4CC3=CN(Cc2ccccc2)C(CC3=NC4=O)=O)c(C)c5)c6c(cccn6)F;Cc1cc2CC[CH](Oc2cc1N3CC4=CN(Cc5ccccc5)C(=O)CC4=NC3=O)c6ncccc6F;Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)OC(CC2)c6c(cccn6)F","InChI=1S/C29H25FN4O3/c1-18-12-20-9-10-25(28-22(30)8-5-11-31-28)37-26(20)14-24(18)34-17-21-16-33(15-19-6-3-2-4-7-19)27(35)13-23(21)32-29(34)36/h2-8,11-12,14,16,25H,9-10,13,15,17H2,1H3/t25-/m1/s1","","2017-02-15","2017-07-14","6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione","2017-07-19"],["T5F","(2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid","C25 H44 N4 O5 S","NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O;C1CCC(CC1)CC(C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)NC(CCCCN)C(=O)O","InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1","tafCPB","2016-09-28","2021-03-01","(2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid","2016-10-26"],["8LT","(3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one","C27 H37 N O7 S","COc1ccc(CN2C[CH](O)[C](CCC(C)C)(C2=O)c3ccc(cc3O[CH](C)CO)[S](C)(=O)=O)cc1;CC(C)CCC1(C(CN(C1=O)Cc2ccc(cc2)OC)O)c3ccc(cc3OC(C)CO)S(=O)(=O)C","InChI=1S/C27H37NO7S/c1-18(2)12-13-27(23-11-10-22(36(5,32)33)14-24(23)35-19(3)17-29)25(30)16-28(26(27)31)15-20-6-8-21(34-4)9-7-20/h6-11,14,18-19,25,29-30H,12-13,15-17H2,1-5H3/t19-,25-,27+/m0/s1","","2021-12-21","2022-10-28","(3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one","2022-11-02"],["T5G","4-bromobenzene-1-sulfonamide","C6 H6 Br N O2 S","c1c(ccc(c1)Br)S(N)(=O)=O;N[S](=O)(=O)c1ccc(Br)cc1;c1cc(ccc1S(=O)(=O)N)Br","InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)","","2020-03-16","2020-03-20","4-bromobenzene-1-sulfonamide","2020-03-25"],["8LU","(2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide","C28 H31 Cl F2 N6 O4","FCC(=O)N1CCC[CH]1C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN5CCOCC5;c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)C5CCCN5C(=O)CF)Cl)F","InChI=1S/C28H31ClF2N6O4/c29-20-13-18(4-5-21(20)31)34-27-19-14-23(35-28(39)24-3-1-7-37(24)26(38)16-30)25(15-22(19)32-17-33-27)41-10-2-6-36-8-11-40-12-9-36/h4-5,13-15,17,24H,1-3,6-12,16H2,(H,35,39)(H,32,33,34)/t24-/m1/s1","","2017-08-02","2024-09-27","(2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide","2018-07-25"],["T5H","2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione","C43 H55 N O11","COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)c(OC)c5)cc1OC;COc1ccc(cc1OC)CCC2c3cccc(c3)OCC(C(COc4c(cc(cc4OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)OC)O)O","InChI=1S/C43H55NO11/c1-49-36-19-17-27(21-37(36)50-2)16-18-35-29-13-10-14-31(22-29)53-25-33(45)34(46)26-54-41-38(51-3)23-30(24-39(41)52-4)40(28-11-6-5-7-12-28)42(47)44-20-9-8-15-32(44)43(48)55-35/h10,13-14,17,19,21-24,28,32-35,40,45-46H,5-9,11-12,15-16,18,20,25-26H2,1-4H3/t32-,33+,34-,35+,40-/m0/s1","","2020-12-15","2021-03-12","","2021-03-17"],["T5I","2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one","C19 H25 Cl O6 S Si","C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)C(=O)C2=C(O)CCCC2=O;C[Si](C)(C)CCOc1c(ccc(c1Cl)C(=O)C2=C(CCCC2=O)O)S(=O)(=O)C","InChI=1S/C19H25ClO6SSi/c1-27(24,25)15-9-8-12(17(20)19(15)26-10-11-28(2,3)4)18(23)16-13(21)6-5-7-14(16)22/h8-9,21H,5-7,10-11H2,1-4H3","","2023-04-19","2023-12-15","2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one","2023-12-20"],["8LV","3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid","C23 H24 N4 O4 S","c1(C(O)=O)cccc(c1)c5oc(CC=3C(N=C4SC(C2CCCCC2)NN4C=3N)=O)cc5;NC1=C(Cc2oc(cc2)c3cccc(c3)C(O)=O)C(=O)N=C4S[CH](NN14)C5CCCCC5;c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)SC(N4)C5CCCCC5)N","InChI=1S/C23H24N4O4S/c24-19-17(12-16-9-10-18(31-16)14-7-4-8-15(11-14)22(29)30)20(28)25-23-27(19)26-21(32-23)13-5-2-1-3-6-13/h4,7-11,13,21,26H,1-3,5-6,12,24H2,(H,29,30)/t21-/m1/s1","","2017-02-15","2017-07-14","3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid","2017-07-19"],["8LW","2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione","C22 H17 N3 O3","CN1C(=O)N(C)c2cc(N3C(=O)c4cccc5cccc(C3=O)c45)c(C)cc12;Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C","InChI=1S/C22H17N3O3/c1-12-10-17-18(24(3)22(28)23(17)2)11-16(12)25-20(26)14-8-4-6-13-7-5-9-15(19(13)14)21(25)27/h4-11H,1-3H3","","2017-02-10","2017-04-28","2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione","2017-05-03"],["T5J","2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol","C17 H15 F N2 O","Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F;Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C","InChI=1S/C17H15FN2O/c1-10-6-7-12(9-13(10)18)19-16-8-11(2)17-14(20-16)4-3-5-15(17)21/h3-9,21H,1-2H3,(H,19,20)","","2015-03-08","2015-05-08","2-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methyl-quinolin-5-ol","2015-05-13"],["8LX","(5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","C24 H24 N4 O5 S","COc1ccc(Oc2cc(ncn2)N(C)CCOc3ccc(C[CH]4SC(=O)NC4=O)cc3)cc1;CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC","InChI=1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)/t20-/m0/s1","Lobeglitazone","2017-08-03","2021-03-01","(5~{S})-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","2017-12-20"],["T5K","[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","C24 H35 N4 O19 P3","CC1C(C(C(C(O1)OP(OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O)(=O)O)O)O)N=Cc4c(cnc(C)c4O)COP(O)(O)=O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)O)OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)C)O","InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20+,21-,23-/m1/s1","","2014-09-17","2015-04-15","(2R,3R,4S,5R,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-09-24"],["T5L","(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid","C8 H12 O4","OC(=O)[CH]1CCCC[CH]1C(O)=O;C1CCC(C(C1)C(=O)O)C(=O)O","InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1","","2022-12-20","2024-01-05","(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid","2024-01-10"],["8LY","N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine","C23 H22 Cl F N6","c5c(Cl)cc(c4cc(Nc1c3c(ncc1)cn(CC2CCNCC2)n3)ccn4)c(F)c5;Fc1ccc(Cl)cc1c2cc(Nc3ccnc4cn(CC5CCNCC5)nc34)ccn2;c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F","InChI=1S/C23H22ClFN6/c24-16-1-2-19(25)18(11-16)21-12-17(5-9-27-21)29-20-6-10-28-22-14-31(30-23(20)22)13-15-3-7-26-8-4-15/h1-2,5-6,9-12,14-15,26H,3-4,7-8,13H2,(H,27,29)","","2017-02-15","2017-04-07","N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine","2017-04-12"],["8LZ","(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium","C12 H16 N O2","C1C[NH2+][CH](C1)c2ccc3OCCOc3c2;c1cc2c(cc1C3CCC[NH2+]3)OCCO2","InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1","","2017-02-10","2018-02-23","(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium","2018-02-28"],["T5M","2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL","C19 H21 N O2","O=C(c1ccc(O)c(c1)C(C)(C)C)N3Cc2ccccc2C3;CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2;CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2","InChI=1S/C19H21NO2/c1-19(2,3)16-10-13(8-9-17(16)21)18(22)20-11-14-6-4-5-7-15(14)12-20/h4-10,21H,11-12H2,1-3H3","","2010-06-21","2011-06-04","2-tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol",""],["T5N","2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","C12 H16 Br N O2 S","CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br","InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)","","2020-12-15","2024-09-27","2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["8M0","bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI)","Mo8 O28","[O-][Mo]|123(=O)O[Mo]|45([O-])(=O)O[Mo]678([O-])O|1[Mo]([O-])(=O)(=O)(O2)|O6[Mo]9%10([O-])(=O)O[Mo]%11%12([O-])(O|4[Mo]|%13([O-])(=O)(=O)O[Mo]([O-])(=O)(O%11|%13)(O9)[O]7%10%12)[O]358;[O-][Mo]12(=O)(=O)O[Mo]34(=O)(O1[Mo]567(O2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)(O2[Mo]11(O36[Mo](=O)(O51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]","InChI=1S/8Mo.28O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*-1","Octamolybdate [Mo(VI)8O28]8-","2012-06-28","2025-11-10","",""],["T5O","2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)","C10 H15 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(OC)=C1)CC2O;COC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;COC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O9P/c1-19-6-3-12(10(15)11-9(6)14)8-2-5(13)7(21-8)4-20-22(16,17)18/h3,5,7-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,7+,8+/m0/s1","5-methoxy-2'-deoxyuridine-5'-phosphate","2009-08-05","2021-03-01","2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)",""],["8M1","N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide","C26 H28 N6 O","C3(CCC(Nc2ncc1ccccc1n2)CC3)N(c4ccc(cc4)c5cnn(C)c5)C(C)=O;Cn1cc(cn1)c2ccc(cc2)N([CH]3CC[CH](CC3)Nc4ncc5ccccc5n4)C(C)=O;CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4","InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)/t22-,24-","","2017-02-15","2018-08-24","N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide","2018-08-29"],["T5P","3-{2,6,8-TRIOXO-9-[(2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE","C13 H21 N4 O11 P","O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O;C(CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(O)O","InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9-/m0/s1","","2004-06-18","2011-06-04","1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-ribitol",""],["8M2","[azanyl(thiophen-3-yl)methylidene]azanium","C5 H7 N2 S","NC(=[NH2+])c1cscc1;c1cscc1C(=[NH2+])N","InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1","","2017-02-10","2018-02-23","[azanyl(thiophen-3-yl)methylidene]azanium","2018-02-28"],["T5Q","2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide","C12 H15 F2 N O2 S","CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F","InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)","","2020-12-15","2024-09-27","2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["8M4","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid","C27 H29 N3 O4","c4(CC1CCCCC1)cccc(C(Nc2ccc(C(O)=O)cc2Nc3ccc(cc3)OC)=O)n4;COc1ccc(Nc2cc(ccc2NC(=O)c3cccc(CC4CCCCC4)n3)C(O)=O)cc1;COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O","InChI=1S/C27H29N3O4/c1-34-22-13-11-20(12-14-22)28-25-17-19(27(32)33)10-15-23(25)30-26(31)24-9-5-8-21(29-24)16-18-6-3-2-4-7-18/h5,8-15,17-18,28H,2-4,6-7,16H2,1H3,(H,30,31)(H,32,33)","","2017-02-15","2017-03-10","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid","2017-03-15"],["8M5","1-methyl-N-phenyl-indole-3-carboxamide","C16 H14 N2 O","O=C(c2c1ccccc1n(c2)C)Nc3ccccc3;Cn1cc(C(=O)Nc2ccccc2)c3ccccc13;Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3","InChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19)","","2013-05-17","2014-09-05","1-methyl-N-phenyl-1H-indole-3-carboxamide","2013-09-18"],["T5R","6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one","C23 H18 F3 N O4 S","OC1=C(C(=O)CCC1)C(=O)c2ccc3SCC(=O)N(Cc4ccc(cc4)C(F)(F)F)c3c2;c1cc(ccc1CN2c3cc(ccc3SCC2=O)C(=O)C4=C(CCCC4=O)O)C(F)(F)F","InChI=1S/C23H18F3NO4S/c24-23(25,26)15-7-4-13(5-8-15)11-27-16-10-14(6-9-19(16)32-12-20(27)30)22(31)21-17(28)2-1-3-18(21)29/h4-10,28H,1-3,11-12H2","","2023-04-20","2023-12-15","6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one","2023-12-20"],["8M6","2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide","C24 H23 N5 O4 S2","CC(=O)N1CCc2c(C1)sc3N=C(SCC(=O)Nc4cccnc4C)N(Cc5occc5)C(=O)c23;Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5","InChI=1S/C24H23N5O4S2/c1-14-18(6-3-8-25-14)26-20(31)13-34-24-27-22-21(23(32)29(24)11-16-5-4-10-33-16)17-7-9-28(15(2)30)12-19(17)35-22/h3-6,8,10H,7,9,11-13H2,1-2H3,(H,26,31)","","2021-10-28","2022-08-22","2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide","2022-04-20"],["T5S","\n2'-deoxy-5-(methylselanyl)uridine 5'-phosphate","C10 H15 N2 O8 P Se","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C([Se]C)=C1)CC2O;C[Se]C1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;C[Se]C1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8PSe/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1","","2007-12-27","2011-06-04","2'-deoxy-5-(methylselanyl)uridine 5'-(dihydrogen phosphate)",""],["T5T","2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","C12 H16 F N O2 S","CC(C)(Oc1ccc(F)cc1)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1ccc(cc1)F","InChI=1S/C12H16FNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)","","2020-12-15","2021-07-02","2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["8M7","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide","C19 H27 N3 O7","C(C)C(CC)C(NC1C(C(O)C(CO)OC/1=N/OC(Nc2ccccc2)=O)O)=O;CCC(CC)C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CCC(CC)C(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C19H27N3O7/c1-3-11(4-2)17(26)21-14-16(25)15(24)13(10-23)28-18(14)22-29-19(27)20-12-8-6-5-7-9-12/h5-9,11,13-16,23-25H,3-4,10H2,1-2H3,(H,20,27)(H,21,26)/b22-18-/t13-,14-,15-,16-/m1/s1","","2017-02-16","2017-04-14","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide (non-preferred name)","2017-04-19"],["T5U","(4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine","C13 H18 N2 O","CC[CH](C[CH]1COC(=N)N1)c2ccccc2;CCC(CC1COC(=N)N1)c2ccccc2","InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1","RO5256390 ","2023-09-05","2023-11-17","(4~{S})-4-[(2~{S})-2-phenylbutyl]-1,3-oxazolidin-2-imine","2023-11-22"],["8M8","3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile","C9 H8 N4 S","Cc1c(C)c(sc1C#N)c2n[nH]cn2;Cc1c(c(sc1C#N)c2nc[nH]n2)C","InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13)","","2017-02-11","2018-02-23","3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile","2018-02-28"],["8M9","4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine","C14 H15 Cl N6 O","COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C;Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl","InChI=1S/C14H15ClN6O/c1-7-4-17-10(8(2)11(7)22-3)6-21-13-9(5-18-21)12(15)19-14(16)20-13/h4-5H,6H2,1-3H3,(H2,16,19,20)","","2017-08-04","2017-08-25","4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine","2017-08-30"],["T5V","pyrimidin-5-amine","C4 H5 N3","n1cncc(N)c1;Nc1cncnc1;c1c(cncn1)N","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","","2020-03-16","2020-03-20","pyrimidin-5-amine","2020-03-25"],["8MA","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid","C26 H26 F N3 O3","C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4ccc(cc4)F)=O;OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc4ccc(F)cc4)c1;c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4","InChI=1S/C26H26FN3O3/c27-19-10-12-20(13-11-19)28-24-16-18(26(32)33)9-14-22(24)30-25(31)23-8-4-7-21(29-23)15-17-5-2-1-3-6-17/h4,7-14,16-17,28H,1-3,5-6,15H2,(H,30,31)(H,32,33)","","2017-02-16","2017-03-24","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid","2017-03-29"],["T5W","2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide","C12 H15 Cl2 N O2 S","CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl","InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)","","2020-12-15","2024-09-27","2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["8MB","(~{E})-3-(4-methylphenyl)prop-2-enoic acid","C10 H10 O2","Cc1ccc(cc1)C=CC(O)=O;Cc1ccc(cc1)C=CC(=O)O","InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+","","2017-02-11","2018-02-23","(~{E})-3-(4-methylphenyl)prop-2-enoic acid","2018-02-28"],["T5X","2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia\nzol-3-ium-2-yl}-5-O-phosphono-D-xylitol","C17 H30 N4 O15 P3 S","O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CO)[CH](O)[CH](O)CO[P](O)(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CO)(C(C(COP(=O)(O)O)O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C17H29N4O15P3S/c1-9-13(3-4-34-39(32,33)36-38(29,30)31)40-16(21(9)6-11-5-19-10(2)20-15(11)18)17(25,8-22)14(24)12(23)7-35-37(26,27)28/h5,12,14,22-25H,3-4,6-8H2,1-2H3,(H6-,18,19,20,26,27,28,29,30,31,32,33)/p+1/t12-,14+,17+/m1/s1","D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT","2007-10-25","2020-06-17","2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-5-O-phosphono-D-xylitol",""],["8MC","(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid","C12 H10 O5","O=C(O)CC=1c2c(OC(=O)C=1)cc(OC)cc2;COc1ccc2C(=CC(=O)Oc2c1)CC(O)=O;COc1ccc2c(c1)OC(=O)C=C2CC(=O)O","InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)","","2013-05-07","2024-09-27","(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid","2014-03-12"],["T5Y","pyridin-2-ol","C5 H5 N O","c1nc(O)ccc1;Oc1ccccn1;c1ccnc(c1)O","InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)","","2020-03-16","2020-03-20","pyridin-2-ol","2020-03-25"],["8MD","(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol","C8 H14 O2","C1(CCC(C=C)CC1O)O;O[CH]1CC[CH](C[CH]1O)C=C;C=CC1CCC(C(C1)O)O","InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8-/m0/s1","","2017-02-17","2024-09-27","(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol","2017-10-11"],["T5Z","2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","C13 H18 Br N O3 S","COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br;CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br","InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16)","","2020-12-15","2024-09-27","2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["8ME","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide","C18 H18 N4 O2","O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3;C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccn3;CC(c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2","InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1","","2012-09-19","2013-06-14","3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide","2013-06-19"],["T60","ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate","C20 H20 N4 O3","CCOC(=O)c1ccc(NC(=O)NCc2ccc(cc2)n3cccn3)cc1;CCOC(=O)c1ccc(cc1)NC(=O)NCc2ccc(cc2)n3cccn3","InChI=1S/C20H20N4O3/c1-2-27-19(25)16-6-8-17(9-7-16)23-20(26)21-14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H2,21,23,26)","ethyl 4-(3-(4-(1H-pyrazol-1-yl)benzyl)ureido)benzoate","2022-12-21","2024-01-26","ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate","2024-01-31"],["T61","3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide","C14 H11 Cl N2 O3","ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1;c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO","InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)","","2018-10-04","2018-10-26","3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide","2018-10-31"],["8MF","1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine","C13 H9 Br Cl N5 O2","Nc1nc(Cl)c2cnn(Cc3cc4OCOc4cc3Br)c2n1;c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl","InChI=1S/C13H9BrClN5O2/c14-8-2-10-9(21-5-22-10)1-6(8)4-20-12-7(3-17-20)11(15)18-13(16)19-12/h1-3H,4-5H2,(H2,16,18,19)","","2017-08-04","2017-08-25","1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine","2017-08-30"],["8MG","8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C11 H16 N5 O7 P","O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C;Cc1nc2C(=O)NC(=Nc2n1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N;Cc1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1","","2003-10-08","2011-06-04","2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate)",""],["T62","5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol","C16 H13 N5 O2","n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4;Nc1nn2c(Cc3cc(O)cc(O)c3)nc4ccccc4c2n1;c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N","InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20)","","2014-04-03","2014-07-03","5-[(2-amino[1,2,4]triazolo[1,5-c]quinazolin-5-yl)methyl]benzene-1,3-diol","2014-07-08"],["8MH","3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide","C25 H35 N5 O5","CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c(NNN)ccc(C1=O)c23;CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O","InChI=1S/C25H35N5O5/c1-2-3-4-5-14-34-16-17-35-15-12-27-22(31)11-13-30-24(32)19-8-6-7-18-21(28-29-26)10-9-20(23(18)19)25(30)33/h6-10,28-29H,2-5,11-17,26H2,1H3,(H,27,31)","","2021-12-21","2022-01-28","3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-~{N}-[2-(2-hexoxyethoxy)ethyl]propanamide","2022-02-02"],["T63","2-phenylpyrimidin-5-ol","C10 H8 N2 O","Oc1cnc(nc1)c1ccccc1;Oc1cnc(nc1)c2ccccc2;c1ccc(cc1)c2ncc(cn2)O","InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H","","2023-08-28","2023-11-24","2-phenylpyrimidin-5-ol","2023-11-29"],["8MI","N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE","C25 H35 N6 O4","O=C(Nc1ccccc1)C(CCCNC(=[NH2+])N)NC(=O)C(CCc1ccccc1)NC(C)C(=O)O;C[CH](N[CH](CCc1ccccc1)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)Nc2ccccc2)C(O)=O;CC(C(=O)O)NC(CCc1ccccc1)C(=O)NC(CCCNC(=[NH2+])N)C(=O)Nc2ccccc2","InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/p+1/t17-,20+,21+/m1/s1","","2021-09-22","2021-10-22","amino{[(4S)-5-anilino-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]amino}methaniminium","2021-09-29"],["T64","(6-4)photoproduct","C20 H28 N4 O15 P2","OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O;CC1=C[N]2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5[CH](C1=NC2=O)[C](C)(O)C(=O)NC5=O)O3;CC1=CN2C3CC(C(O3)COP(=O)(OC4CC(N5C(C1=NC2=O)C(C(=O)NC5=O)(C)O)OC4COP(=O)(O)O)O)O","InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1","[(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-\ntetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate","2011-07-26","2020-06-17","[(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name)","2015-12-02"],["8MJ","8-oxidanylquinoline-2-carbaldehyde","C10 H7 N O2","Oc1cccc2ccc(C=O)nc12;c1cc2ccc(nc2c(c1)O)C=O","InChI=1S/C10H7NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h1-6,13H","","2021-10-28","2022-08-22","8-oxidanylquinoline-2-carbaldehyde","2022-02-02"],["T65","2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid","C18 H31 N O3","CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O;CCCCCCCCCCC=CCCC(=O)C=NCC(=O)O","InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-19-16-18(21)22/h11-12,15H,2-10,13-14,16H2,1H3,(H,21,22)/b12-11+,19-15+","","2016-12-01","2024-09-27","2-[(~{E})-[(~{E})-2-oxidanylidenehexadec-5-enylidene]amino]ethanoic acid","2017-11-22"],["T66","2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-THYMINE","C15 H25 N5 O5","O=C(N(C(C(=O)O)CCCCN)CCN)CN1C=C(C(=O)NC1=O)C;CC1=CN(CC(=O)N(CCN)[CH](CCCCN)C(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)C(CCCCN)C(=O)O","InChI=1S/C15H25N5O5/c1-10-8-19(15(25)18-13(10)22)9-12(21)20(7-6-17)11(14(23)24)4-2-3-5-16/h8,11H,2-7,9,16-17H2,1H3,(H,23,24)(H,18,22,25)/t11-/m1/s1","","2003-02-19","2024-09-27","N~2~-(2-aminoethyl)-N~2~-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]-D-lysine",""],["8MK","(~{E})-4-(4-hydroxyphenyl)but-3-en-2-one","C10 H10 O2","CC(=O)C=Cc1ccc(O)cc1;CC(=O)C=Cc1ccc(cc1)O","InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+","","2017-02-11","2018-02-23","(~{E})-4-(4-hydroxyphenyl)but-3-en-2-one","2018-02-28"],["8ML","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate","C18 H33 N4 O16 P3 S","Cc1ncc(CN2[CH](S[CH](CCO[P](O)(=O)O[P](O)(O)=O)C2=C)[C](O)(CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c(N)n1;Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)C(CO)(C(C(C(COP(=O)(O)O)O)O)O)O","InChI=1S/C18H33N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12-15,17,23-27H,1,3-4,6-8H2,2H3,(H,34,35)(H2,19,20,21)(H2,28,29,30)(H2,31,32,33)/t12-,13-,14-,15+,17?,18+/m1/s1","","2017-08-04","2018-06-22","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2~{S},3~{S},4~{R},5~{R})-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate","2018-06-27"],["T67","1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one","C14 H18 N4 O","N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C;CN1CCN(CC1)C(=O)Cc2c[nH]c3ncccc23;CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3","InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)13(19)9-11-10-16-14-12(11)3-2-4-15-14/h2-4,10H,5-9H2,1H3,(H,15,16)","","2020-03-16","2020-03-20","1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one","2020-03-25"],["T68","N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","C13 H17 N3 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2;OC[CH]1O[CH](NC(=O)NC(=O)c2ccccn2)[CH](O)[CH](O)[CH]1O;c1ccnc(c1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1","N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine; N-[(pyridin-2-ylcarbonyl)carbamoyl]-D-glucosylamine;\nN-[(pyridin-2-ylcarbonyl)carbamoyl]-glucosylamine","2012-11-22","2020-07-17","N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","2013-12-11"],["8MM","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside","C21 H41 N5 O8","C1CC(OC(C1NC(C)=O)OC3C(C(OC2C(O)C(NC)C(C)(O)CO2)C(CC3N)N)O)CN;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3NC(C)=O)[CH]2O;CC(=O)NC1CCC(OC1OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)CN","InChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1","N2'-acetylgentamicin C1A","2017-02-28","2021-03-01","(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside","2017-03-15"],["T69","(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid","C19 H35 N O4 S","CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O;C[CH](C[CH](O)[CH](C)[CH]1N[CH](CS1)C=C(C)C(O)=O)C[CH](O)C(C)(C)C;CC(CC(C(C)C1NC(CS1)C=C(C)C(=O)O)O)CC(C(C)(C)C)O","InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1","","2022-07-18","2024-09-27","(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid","2023-05-24"],["8MN","2-(4-chlorophenyl)sulfanylethanehydrazide","C8 H9 Cl N2 O S","NNC(=O)CSc1ccc(Cl)cc1;c1cc(ccc1SCC(=O)NN)Cl","InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)","","2017-02-11","2018-02-23","2-(4-chlorophenyl)sulfanylethanehydrazide","2018-02-28"],["T6A","N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE","C15 H21 N6 O11 P","O=C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C;C[CH](O)[CH](NC(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(O)=O;CC(C(C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)O","InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1","N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE","1999-07-08","2021-03-01","(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)",""],["8MO","METHOXSALEN","C12 H8 O4","O=C3Oc2c(OC)c1occc1cc2C=C3;COc1c2occc2cc3C=CC(=O)Oc13;COc1c2c(cco2)cc3c1OC(=O)C=C3","InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3","9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE","2005-03-09","2021-03-13","9-methoxy-7H-furo[3,2-g]chromen-7-one",""],["8MP","N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide","C10 H20 N2 O4","C(C(NC1CNCC(C(C1O)O)O)=O)CC;CCCC(=O)N[CH]1CNC[CH](O)[CH](O)[CH]1O;CCCC(=O)NC1CNCC(C(C1O)O)O","InChI=1S/C10H20N2O4/c1-2-3-8(14)12-6-4-11-5-7(13)10(16)9(6)15/h6-7,9-11,13,15-16H,2-5H2,1H3,(H,12,14)/t6-,7-,9+,10+/m0/s1","","2017-02-17","2017-04-14","N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide","2017-04-19"],["T6B","[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone","C17 H17 N3 O3","Cn1ccc2c(ccnc12)c3oc(cc3)C(=O)N4CCOCC4;Cn1ccc2c1nccc2c3ccc(o3)C(=O)N4CCOCC4","InChI=1S/C17H17N3O3/c1-19-7-5-13-12(4-6-18-16(13)19)14-2-3-15(23-14)17(21)20-8-10-22-11-9-20/h2-7H,8-11H2,1H3","1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine","2022-12-21","2023-03-03","[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone","2023-03-08"],["8MQ","2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one","C17 H22 N2 O","CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23;CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3","InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3","","2017-02-12","2018-02-23","2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one","2018-02-28"],["T6C","2,4,6-trichlorophenol","C6 H3 Cl3 O","Clc1cc(Cl)cc(Cl)c1O;Oc1c(Cl)cc(Cl)cc1Cl;c1c(cc(c(c1Cl)O)Cl)Cl","InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H","","2013-05-09","2013-08-30","2,4,6-trichlorophenol","2013-09-04"],["8MR","(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID","C11 H12 F2 O5 S","FC(F)C(S(=O)(=O)c1ccc(OC)cc1)CC(=O)O;COc1ccc(cc1)[S](=O)(=O)[CH](CC(O)=O)C(F)F;COc1ccc(cc1)S(=O)(=O)C(CC(=O)O)C(F)F","InChI=1S/C11H12F2O5S/c1-18-7-2-4-8(5-3-7)19(16,17)9(11(12)13)6-10(14)15/h2-5,9,11H,6H2,1H3,(H,14,15)/t9-/m1/s1","","2007-02-16","2011-06-04","(3R)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid",""],["T6D","alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside","C22 H40 O12","C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)OC2C(C(C(C(CO)O2)O)O)O;CCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;CCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O","InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-14(24)31-11-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(10-23)32-21/h12-13,15-23,25-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1","trehalose 6-decanoate","2018-10-02","2020-07-17","alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside","2019-09-18"],["8MS","(R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol","C19 H36 N4 O4","CCCCCCOCCOCCOCCN[CH](O)c1ccc(NNN)cc1;CCCCCCOCCOCCOCCNC(c1ccc(cc1)NNN)O","InChI=1S/C19H36N4O4/c1-2-3-4-5-11-25-13-15-27-16-14-26-12-10-21-19(24)17-6-8-18(9-7-17)22-23-20/h6-9,19,21-24H,2-5,10-16,20H2,1H3/t19-/m1/s1","","2021-12-21","2022-01-28","(~{R})-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol","2022-02-02"],["T6E","1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea","C20 H13 F4 N5 O S","FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc4ccc(c2c3c(ncnc3sc2)N)cc4;Nc1ncnc2scc(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12;c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F","InChI=1S/C20H13F4N5OS/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)","","2012-05-03","2014-09-05","1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea",""],["8MT","4,5-bis(bromanyl)thiophene-2-carbohydrazide","C5 H4 Br2 N2 O S","NNC(=O)c1sc(Br)c(Br)c1;c1c(c(sc1C(=O)NN)Br)Br","InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)","","2017-02-13","2018-02-23","4,5-bis(bromanyl)thiophene-2-carbohydrazide","2018-02-28"],["T6F","2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol","C18 H32 N4 O16 P3 S","O=P(O)(O)OCC(O)C(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CO)(C(C(C(COP(=O)(O)O)O)O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C18H31N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12,14-15,23-27H,3-4,6-8H2,1-2H3,(H6-,19,20,21,28,29,30,31,32,33,34,35)/p+1/t12-,14-,15+,18+/m1/s1","D-FRUCTOSE-6-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT","2007-10-26","2021-03-01","2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol",""],["8MU","5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine","C24 H25 N5 O2","CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)c1ccc(CN)cc1;CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2)c4ccc(CN)cc4;CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CN","InChI=1S/C24H25N5O2/c1-3-20-18(23(26)29-24(27)28-20)9-4-14(2)17-10-19(22-21(11-17)30-13-31-22)16-7-5-15(12-25)6-8-16/h5-8,10-11,14H,3,12-13,25H2,1-2H3,(H4,26,27,28,29)/t14-/m1/s1","","2021-09-22","2022-05-20","5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine","2022-05-25"],["T6H","2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide","C12 H17 N O2 S","CC(C)(Oc1ccccc1)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1ccccc1","InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14)","","2020-12-15","2024-09-27","2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["T6I","(2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid","C23 H26 F N O3","C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O;Cc1ccc(cc1)C(C(C)C(=O)O)NC(=O)C(c2ccc3c(c2)CCCC3)F","InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1","","2023-04-20","2023-06-09","(2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid","2023-06-14"],["8MV","(5-formylfuran-2-yl)methyl acetate","C8 H8 O4","C(c1ccc(COC(C)=O)o1)=O;CC(=O)OCc1oc(C=O)cc1;CC(=O)OCc1ccc(o1)C=O","InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3","","2017-02-17","2024-09-27","(5-formylfuran-2-yl)methyl acetate","2017-03-15"],["T6J","2-[(methylsulfonyl)methyl]-1H-benzimidazole","C9 H10 N2 O2 S","n1c(nc2ccccc12)CS(C)(=O)=O;C[S](=O)(=O)Cc1[nH]c2ccccc2n1;CS(=O)(=O)Cc1[nH]c2ccccc2n1","InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)","","2020-03-16","2020-03-20","2-[(methylsulfonyl)methyl]-1H-benzimidazole","2020-03-25"],["8MW","2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid","C12 H12 N2 O2 S","Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3;Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C","InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16)","","2017-02-13","2018-02-23","2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid","2018-02-28"],["8MX","1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","C21 H24 F N3 O3","Cc1c(c(cc2c1N(C=C(C2=O)C(O)=O)C3CC3)F)N4CC5C(C4)CCCN5;Cc1c(N2C[CH]3CCCN[CH]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(O)=O;Cc1c2c(cc(c1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O","InChI=1S/C21H24FN3O3/c1-11-18-14(20(26)15(21(27)28)9-25(18)13-4-5-13)7-16(22)19(11)24-8-12-3-2-6-23-17(12)10-24/h7,9,12-13,17,23H,2-6,8,10H2,1H3,(H,27,28)/t12-,17+/m0/s1","8-methyl-moxifloxacin","2015-06-04","2021-03-01","1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","2016-03-02"],["T6K","(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl {(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate","C16 H26 N2 O15 P2","C3(C(OC(OP(O)(OP(OCC1OC(CC1O)N2C(NC(C(C2)C)=O)=O)(=O)O)=O)C(O)C3O)C)=O;C[CH]1CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3O[CH](C)C(=O)[CH](O)[CH]3O)O2)C(=O)NC1=O;CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(=O)C(O3)C)O)O)O","InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h6-10,12-13,15,19,21-22H,3-5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t6-,7-,8+,9-,10-,12+,13-,15-/m1/s1","","2015-03-18","2015-03-27","(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl {(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate (non-preferred name)","2015-04-01"],["8MY","4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile","C15 H13 N7 O","c3(nc(Nc1ccc(C#N)cc1)nc(n2ccc(CO)n2)c3)N;Nc1cc(nc(Nc2ccc(cc2)C#N)n1)n3ccc(CO)n3;c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N","InChI=1S/C15H13N7O/c16-8-10-1-3-11(4-2-10)18-15-19-13(17)7-14(20-15)22-6-5-12(9-23)21-22/h1-7,23H,9H2,(H3,17,18,19,20)","","2017-02-20","2017-06-02","4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile","2017-06-07"],["T6L","(6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide","C20 H17 Cl F5 N5 O4","Fc1cccc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O;CCN1C(=NN(C1=O)c2nc(O[CH](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(F)cccc3Cl)CO;CCN1C(=NN(C1=O)c2c(cc(c(n2)OC(C)C(F)(F)F)C(=O)Nc3c(cccc3Cl)F)F)CO","InChI=1S/C20H17ClF5N5O4/c1-3-30-14(8-32)29-31(19(30)34)16-13(23)7-10(18(28-16)35-9(2)20(24,25)26)17(33)27-15-11(21)5-4-6-12(15)22/h4-7,9,32H,3,8H2,1-2H3,(H,27,33)/t9-/m0/s1","","2022-07-19","2022-08-12","(6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide","2022-08-17"],["8MZ","5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one","C10 H8 N4 O S","Nc1scc(n1)c2ccc3NC(=O)Nc3c2;c1cc2c(cc1c3csc(n3)N)NC(=O)N2","InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)","","2017-02-13","2018-02-23","5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one","2018-02-28"],["T6M","1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C12 H15 Cl N2 O3 S","N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O;CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2;CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl","InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3","","2020-03-16","2024-09-27","1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["T6N","2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide","C13 H19 N O2 S","Cc1ccc(OC(C)(C)C(=O)NCCS)cc1;Cc1ccc(cc1)OC(C)(C)C(=O)NCCS","InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15)","","2020-12-15","2021-07-02","2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide","2021-07-07"],["8N0","2-bromanylpyridin-3-ol","C5 H4 Br N O","Oc1cccnc1Br;c1cc(c(nc1)Br)O","InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H","","2021-10-28","2022-08-22","2-bromanylpyridin-3-ol","2022-02-02"],["8N1","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-xylofuranosylamine","C24 H30 Cl N3 O5","c1(cccc(c1)C(=C)C)C(C)(C)NC(Nc2ccc(c(c2)NC3OC(C(C3O)O)CO)Cl)=O;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3O[CH](CO)[CH](O)[CH]3O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(O3)CO)O)O)Cl","InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20+,21-,22-/m1/s1","","2017-02-20","2017-03-03","N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-xylofuranosylamine","2017-03-08"],["T6O","aztreonam","C13 H17 N5 O8 S2","C[CH]1[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)C(=O)N1[S](O)(=O)=O;CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(n2)N","InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m1/s1","2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid","2022-12-21","2023-05-15","2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid","2023-03-08"],["T6P","Trehalose-6-phosphate","C12 H23 O14 P","O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O;OC[CH]1O[CH](O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O","InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1","6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside","1999-08-20","2020-07-17","6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside",""],["8N2","(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid","C11 H12 O4","COc1cccc(C=CC(O)=O)c1OC;COc1cccc(c1OC)C=CC(=O)O","InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+","","2017-02-13","2018-02-23","(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid","2018-02-28"],["8N3","(2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide","C15 H23 N3 O3","CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO;Cc1cccc(c1)CNC(=O)NC(CC(C)C)C(=O)NO","InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1","","2017-08-07","2018-08-03","(2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide","2018-08-08"],["T6Q","2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile","C23 H26 N8 O S","O=C(N4CCCN(c1cccc(c1)Nc2ncc(C#N)c(n2)c3sc(nc3C)NC)CC4)C;CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)N4CCCN(CC4)C(C)=O)ncc2C#N;Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N","InChI=1S/C23H26N8OS/c1-15-21(33-23(25-3)27-15)20-17(13-24)14-26-22(29-20)28-18-6-4-7-19(12-18)31-9-5-8-30(10-11-31)16(2)32/h4,6-7,12,14H,5,8-11H2,1-3H3,(H,25,27)(H,26,28,29)","","2012-10-02","2014-09-05","2-{[3-(4-acetyl-1,4-diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile","2013-01-04"],["T6R","1-ethyl-1H-benzimidazole","C9 H10 N2","CCn1cnc2ccccc21;CCn1cnc2ccccc12;CCn1cnc2c1cccc2","InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3","","2023-08-28","2023-11-24","1-ethyl-1H-benzimidazole","2023-11-29"],["8N4","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid","C27 H26 F3 N3 O4","C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4cccc(c4)OC(F)(F)F)=O;OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc4cccc(OC(F)(F)F)c4)c1;c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O","InChI=1S/C27H26F3N3O4/c28-27(29,30)37-21-10-4-8-20(16-21)32-24-15-18(26(35)36)12-13-22(24)33-25(34)23-11-5-9-19(31-23)14-17-6-2-1-3-7-17/h4-5,8-13,15-17,32H,1-3,6-7,14H2,(H,33,34)(H,35,36)","","2017-02-21","2017-03-24","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid","2017-03-29"],["8N5","2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one","C10 H8 N2 O S","O=C1NNC2=C1SCc3ccccc23;c1ccc2c(c1)CSC3=C2NNC3=O","InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13)","","2017-02-13","2018-02-23","2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one","2018-02-28"],["T6S","alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside","C12 H22 O14 S","C1(C(O)C(O)C(C(O1)OC2C(O)C(O)C(C(O2)CO)O)O)COS(O)(=O)=O;OC[CH]1O[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O)O)O)O)O)O","InChI=1S/C12H22O14S/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1","","2018-08-07","2020-08-21","alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside","2020-08-26"],["8N6","(5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","C19 H20 N2 O3 S","CCc1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1;CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3","InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m0/s1","Pioglitazone","2017-08-09","2021-03-01","(5~{S})-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione","2017-12-20"],["T6T","alpha-D-tagatopyranose","C6 H12 O6","OC1C(OCC(C1O)O)(CO)O;OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1","alpha-D-tagatose; D-tagatose; tagatose","2015-07-13","2020-07-17","alpha-D-tagatopyranose","2015-07-22"],["8N7","6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide","C25 H30 N6 O3","C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5;O=C(Nc1ccc(cc1OC2CCOCC2)c3[nH]nnn3)c4cccc(CC5CCCCC5)n4;c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5","InChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31)","","2017-02-21","2017-03-10","6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide","2017-03-15"],["T6U","(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one","C8 H6 Br N3 O3","OC1=C(NC(Br)=CC1=O)c1nc(C)on1;Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2;Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O","InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)","","2022-07-19","2022-12-16","(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one","2022-12-21"],["8N8","3,4-bis(bromanyl)thiophene-2-carboxylic acid","C5 H2 Br2 O2 S","OC(=O)c1scc(Br)c1Br;c1c(c(c(s1)C(=O)O)Br)Br","InChI=1S/C5H2Br2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9)","","2017-02-13","2018-02-23","3,4-bis(bromanyl)thiophene-2-carboxylic acid","2018-02-28"],["T6V","N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide","C12 H13 N O3 S","c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O;CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccccc2;CC(=O)N(c1ccccc1)C2CS(=O)(=O)C=C2","InChI=1S/C12H13NO3S/c1-10(14)13(11-5-3-2-4-6-11)12-7-8-17(15,16)9-12/h2-8,12H,9H2,1H3/t12-/m0/s1","","2020-03-16","2024-09-27","N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide","2020-03-25"],["8N9","2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","C14 H22 N4 O9 P2 S","Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)SC2=C(O)CO)C)c(N)n1;Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CO)O)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11+","(E)-2(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydrothiazol-5-yl)ethyl trihydrogen diphosphate","2017-08-09","2021-03-13","2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","2018-06-27"],["T6W","2-(2-chloro-4-nitrophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide","C12 H15 Cl N2 O4 S","Clc1cc(ccc1OC(C)(C)C(=O)NCCS)[N+]([O-])=O;CC(C)(Oc1ccc(cc1Cl)[N+]([O-])=O)C(=O)NCCS;CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)[O-]","InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7,20H,5-6H2,1-2H3,(H,14,16)","","2020-12-15","2026-04-05","2-(2-chloro-4-nitrophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide","2021-07-07"],["8NA","alpha-Diphosphopyridine nucleotide","C21 H27 N7 O14 P2","NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N","InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1","alpha-NAD","2013-08-29","2020-06-17","[(2R,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate","2014-08-13"],["T6X","(2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","C27 H36 N6 O","CC[CH](CO)Nc1nc(NCCCCCc2cccc3ccccc23)c4ncn(C(C)C)c4n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCCCc3cccc4c3cccc4","InChI=1S/C27H36N6O/c1-4-22(17-34)30-27-31-25(24-26(32-27)33(18-29-24)19(2)3)28-16-9-5-6-11-20-13-10-14-21-12-7-8-15-23(20)21/h7-8,10,12-15,18-19,22,34H,4-6,9,11,16-17H2,1-3H3,(H2,28,30,31,32)/t22-/m1/s1","","2022-12-21","2023-09-15","(2~{R})-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol","2023-09-20"],["T6Y","1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one","C11 H15 Cl N2 O S","N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl;CC(=O)N1CCN(CC1)Cc2sc(Cl)cc2;CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl","InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3","","2020-03-16","2024-09-27","1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8NB","~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide","C9 H10 Cl N O2","COc1ccc(NC(C)=O)cc1Cl;CC(=O)Nc1ccc(c(c1)Cl)OC","InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)","","2017-02-13","2024-09-27","~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide","2017-04-05"],["8NC","(3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}","C25 H24 F2 N4 O6 S","O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(OC)c(F)c3)CN(S(=O)(=O)C)C4;COc1ccc(NC(=O)[CH]2CN(C[CH]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)[S](C)(=O)=O)cc1F;COc1ccc(cc1F)NC(=O)C2CN(CC2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C","InChI=1S/C25H24F2N4O6S/c1-37-22-9-6-15(11-20(22)27)28-24(33)17-13-30(38(2,35)36)14-18(17)25(34)29-21-8-7-16(12-19(21)26)31-10-4-3-5-23(31)32/h3-12,17-18H,13-14H2,1-2H3,(H,28,33)(H,29,34)/t17-,18-/m0/s1","","2010-04-15","2011-06-04","(3R,4R)-N-(3-fluoro-4-methoxyphenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide",""],["T6Z","[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","C11 H12 N O4 P","CN2C(C=C(CP(O)(=O)O)c1ccccc12)=O;CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12;CN1c2ccccc2C(=CC1=O)CP(=O)(O)O","InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16)","","2018-04-17","2019-04-12","[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid","2019-04-17"],["8ND","(2S)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate","C37 H73 N O5","C(COCCN)(COC(CCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](COCCN)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COCCN)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C37H73NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)42-34-35(33-41-32-31-38)43-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3/t35-/m0/s1","","2017-02-21","2017-04-07","(2S)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate","2017-04-12"],["T70","PF-05089771","C18 H12 Cl2 F N5 O3 S2","Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4;c1cc(c(cc1Cl)c2cn[nH]c2N)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4cscn4)F","InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)","4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide","2023-04-20","2023-11-01","4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide","2023-06-14"],["8NE","[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium","C8 H8 F3 N2","NC(=[NH2+])c1ccc(cc1)C(F)(F)F;c1cc(ccc1C(=[NH2+])N)C(F)(F)F","InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1","","2017-02-13","2018-02-23","[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium","2018-02-28"],["T71","1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one","C14 H20 N2 O3 S","N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O;CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc(C)ccc2C;Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C","InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3","","2020-03-16","2024-09-27","1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["T72","3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid","C20 H13 F6 N O3","OC(=O)CCc1oc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)c3ccccc3;c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F","InChI=1S/C20H13F6NO3/c21-19(22,23)13-8-12(9-14(10-13)20(24,25)26)18-17(11-4-2-1-3-5-11)27-15(30-18)6-7-16(28)29/h1-5,8-10H,6-7H2,(H,28,29)","3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid","2020-12-16","2021-02-05","3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid","2021-02-10"],["8NF","5-amino-2,4-dimethylpyridine","C7 H10 N2","Cc1cc(C)c(N)cn1;Cc1cc(ncc1N)C","InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3","","2021-12-21","2021-12-31","4,6-dimethylpyridin-3-amine","2022-01-05"],["T73","(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate","C17 H22 O3","O=C(OC1C2(C(C(C1)CC2)(C)C)C)c3ccc(cc3)O;CC1(C)[CH]2CC[C]1(C)[CH](C2)OC(=O)c3ccc(O)cc3;CC1(C2CCC1(C(C2)OC(=O)c3ccc(cc3)O)C)C","InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m0/s1","","2016-02-26","2017-03-03","(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate","2017-03-08"],["8NG","N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide","C22 H19 F2 N3 O4 S","c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)C4=CN(C)C(c3c4ccn3)=O;CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4[nH]ccc34;CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F","InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3","","2017-02-22","2017-06-16","N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide","2017-06-21"],["8NH","2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE","C14 H12 Cl N3 O3","N#Cc1ccc(c(c1Cl)C)N2C(=O)C3N(C2=O)CCC3O;Cc1c(Cl)c(ccc1N2C(=O)[CH]3[CH](O)CCN3C2=O)C#N;Cc1c(ccc(c1Cl)C#N)N2C(=O)C3C(CCN3C2=O)O","InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1","","2006-11-15","2011-06-04","2-chloro-4-[(7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-3-methylbenzonitrile",""],["T74","N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine","C29 H38 N8 O","O(C)C(C)(C)CCn5nc(Nc1c(cccc1C)C)c2c5nc(nc2)Nc3ccc(cc3)N4CCNCC4;COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c3cnc(Nc4ccc(cc4)N5CCNCC5)nc13;Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C","InChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34)","","2008-10-02","2011-06-04","N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine",""],["8NI","N-[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","C10 H16 N5 O8 P","O=P(O)(O)OCC1OC(NC2=NC(N)=NC(=O)C2NC=O)CC1O;NC1=NC(=O)[CH](NC=O)C(=N1)N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1NC2=NC(=NC(=O)C2NC=O)N)COP(=O)(O)O)O","InChI=1S/C10H16N5O8P/c11-10-14-8(7(12-3-16)9(18)15-10)13-6-1-4(17)5(23-6)2-22-24(19,20)21/h3-7,17H,1-2H2,(H,12,16)(H2,19,20,21)(H3,11,13,14,15,18)/t4-,5+,6+,7-/m0/s1","","2021-09-22","2022-07-29","N-[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","2022-08-03"],["T75","TAK-715","C24 H21 N3 O S","O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C)CC)c4;CCc1sc(c2ccnc(NC(=O)c3ccccc3)c2)c(n1)c4cccc(C)c4;CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C","InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)","N-{4-[2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL-5-YL]PYRIDIN-2-YL}BENZAMIDE","2011-06-28","2020-06-17","N-{4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}benzamide",""],["T76","(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE","C25 H33 Cl N4 O5","Clc4cc1c(OCC(=O)NCCC(=O)NC(C(=O)N2C(C(=O)NC1)CCC2)C3CCCCC3)cc4;Clc1ccc2OCC(=O)NCCC(=O)N[CH](C3CCCCC3)C(=O)N4CCC[CH]4C(=O)NCc2c1;c1cc2c(cc1Cl)CNC(=O)C3CCCN3C(=O)C(NC(=O)CCNC(=O)CO2)C4CCCCC4","InChI=1S/C25H33ClN4O5/c26-18-8-9-20-17(13-18)14-28-24(33)19-7-4-12-30(19)25(34)23(16-5-2-1-3-6-16)29-21(31)10-11-27-22(32)15-35-20/h8-9,13,16,19,23H,1-7,10-12,14-15H2,(H,27,32)(H,28,33)(H,29,31)/t19-,23+/m0/s1","","2003-02-20","2011-06-04","(6R,21aS)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1H,5H-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraazacycloheptadecine-5,8,12,21(9H,13H,21aH)-tetrone",""],["8NJ","6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","C20 H16 N2 O2","c1cccc(c1)Oc2ccccc2C=4c3ccnc3C(N(C=4)C)=O;CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O;CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4","InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3","","2017-02-22","2017-06-09","6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","2017-06-14"],["T77","6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C26 H29 N5 O S2","n4c(NCC1SCCS1)c5c(c2ccccc2)c(c3ccc(OCCN(C)C)cc3)nc5nc4;CN(C)CCOc1ccc(cc1)c2[nH]c3ncnc(NCC4SCCS4)c3c2c5ccccc5;CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5","InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30)","","2012-05-02","2012-09-14","6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2012-09-14"],["8NK","7-methylguanosine 5'-diphosphate","C11 H18 N5 O11 P2","C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1","","2017-02-13","2024-02-25","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2017-05-24"],["8NL","(2-methyl-3-phenyl-phenyl)methyl (1~{S})-3-[(~{E})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","C23 H22 Cl F3 O2","Cc1c(COC(=O)[CH]2[CH](C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3;Cc1c(cccc1c2ccccc2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl","InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20+/m0/s1","","2017-08-11","2018-08-10","(2-methyl-3-phenyl-phenyl)methyl (1~{S})-3-[(~{E})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","2018-08-15"],["T78","(6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide","C20 H19 Cl F4 N6 O4","Cc1ccnc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O;CCN1C(=NN(C1=O)c2nc(O[CH](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(C)ccnc3Cl)CO;CCN1C(=NN(C1=O)c2c(cc(c(n2)OC(C)C(F)(F)F)C(=O)Nc3c(ccnc3Cl)C)F)CO","InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1","","2022-07-19","2022-08-12","(6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide","2022-08-17"],["8NM","N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide","C21 H19 N3 O4 S","c1cc(c(cc1NS(C)(=O)=O)C3=CN(C)C(c2c3ccn2)=O)Oc4ccccc4;CN1C=C(c2cc[nH]c2C1=O)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4;CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C","InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3","","2017-02-22","2017-06-16","N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide","2017-06-21"],["T79","(2S)-2-azanylhex-4-ynoic acid","C6 H9 N O2","CC#CC[CH](N)C(O)=O;CC#CCC(C(=O)O)N","InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)/t5-/m0/s1","(S)-2-Aminohex-4-ynoic acid; peptide staple","2022-12-21","2024-09-27","(2~{S})-2-azanylhex-4-ynoic acid","2023-03-15"],["8NN","(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan","C21 H16 Cl N3 O4","OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3nc(Cl)c4ccccc4c3O;c1ccc2c(c1)c(c(nc2Cl)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)O","InChI=1S/C21H16ClN3O4/c22-19-14-7-2-1-6-13(14)18(26)17(25-19)20(27)24-16(21(28)29)9-11-10-23-15-8-4-3-5-12(11)15/h1-8,10,16,23,26H,9H2,(H,24,27)(H,28,29)/t16-/m0/s1","","2017-02-13","2017-05-12","(2~{S})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid","2017-05-17"],["T7A","N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide","C10 H10 N2 O2 S","n2c1c(cccc1OC)sc2NC(C)=O;COc1cccc2sc(NC(C)=O)nc12;CC(=O)Nc1nc2c(cccc2s1)OC","InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13)","","2020-03-16","2024-09-27","N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide","2020-03-25"],["8NO","2-[[3-(2-phenylethoxy)phenyl]amino]benzamide","C21 H20 N2 O2","NC(=O)c1ccccc1Nc2cccc(OCCc3ccccc3)c2;c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N","InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)","","2017-08-11","2017-09-01","2-[[3-(2-phenylethoxy)phenyl]amino]benzamide","2017-09-06"],["T7B","(1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione","C11 H10 N2 O2","O=C1NC(=O)NC21CCc1ccccc12;O=C1NC(=O)[C]2(CCc3ccccc23)N1;c1ccc2c(c1)CCC23C(=O)NC(=O)N3","InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1","","2023-08-28","2023-11-24","(1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione","2023-11-29"],["8NP","3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one","C18 H15 N O2","c1cccc(c1)Oc2c(cccc2)C=3C=C(C(NC=3)=O)C;CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3;CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3","InChI=1S/C18H15NO2/c1-13-11-14(12-19-18(13)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20)","","2017-02-22","2017-06-09","3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one","2017-06-14"],["T7C","3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid","C7 H14 N2 O3 S","O=C(N)CNCCSCCC(=O)O;NC(=O)CNCCSCCC(O)=O;C(CSCCNCC(=O)N)C(=O)O","InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)","","2022-07-19","2024-09-27","3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid","2023-05-24"],["8NQ","1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide","C21 H19 Br N6 O3","NC(=O)c1nn(CC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(Br)n4)c5ccccc15;c1ccc2c(c1)c(nn2CC(=O)N3C4CC4CC3C(=O)Nc5cccc(n5)Br)C(=O)N","InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1","","2017-02-13","2017-06-23","1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide","2017-06-28"],["T7D","N-(1-acetylpiperidin-4-yl)benzamide","C14 H18 N2 O2","N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O;CC(=O)N1CCC(CC1)NC(=O)c2ccccc2;CC(=O)N1CCC(CC1)NC(=O)c2ccccc2","InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)","","2020-03-16","2024-09-27","N-(1-acetylpiperidin-4-yl)benzamide","2020-03-25"],["T7F","Vinpocetine","C22 H26 N2 O2","CCOC(=O)C1=C[C]2(CC)CCCN3CCc4c5ccccc5n1c4[CH]23;CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3","InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1","Ethyl apovincaminate","2023-04-20","2023-11-01","","2023-06-14"],["8NR","ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate","C21 H25 N3 O3","CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4CCCCc4nc3c2;CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4","InChI=1S/C21H25N3O3/c1-2-27-21(26)24-11-9-23(10-12-24)20(25)17-8-7-16-13-15-5-3-4-6-18(15)22-19(16)14-17/h7-8,13-14H,2-6,9-12H2,1H3","","2017-08-14","2024-09-27","ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate","2018-08-29"],["T7G","1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide","C14 H18 N2 O3","N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O;CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O;CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O","InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)","","2020-03-16","2024-09-27","1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide","2020-03-25"],["8NS","7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one","C21 H23 N3 O3 S","n4c5c3C(c1c(ccc(c1)S(CC)(=O)=O)N(CC2CC2)Cc3c4)=CN(C)C5=O;CC[S](=O)(=O)c1ccc2N(CC3CC3)Cc4c[nH]c5C(=O)N(C)C=C(c2c1)c45;CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C","InChI=1S/C21H23N3O3S/c1-3-28(26,27)15-6-7-18-16(8-15)17-12-23(2)21(25)20-19(17)14(9-22-20)11-24(18)10-13-4-5-13/h6-9,12-13,22H,3-5,10-11H2,1-2H3","","2017-02-22","2017-06-16","7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one","2017-06-21"],["T7H","3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid","C7 H13 N O4 S","OC(=O)CNCCSCCC(=O)O;OC(=O)CCSCCNCC(O)=O;C(CSCCNCC(=O)O)C(=O)O","InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)","","2022-07-19","2024-09-27","3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid","2023-05-24"],["8NT","3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid","C11 H21 N O4 S3","O[S](=O)(=O)CCCNC(=O)CCCC[CH]1CCSS1;C1CSSC1CCCCC(=O)NCCCS(=O)(=O)O","InChI=1S/C11H21NO4S3/c13-11(12-7-3-9-19(14,15)16)5-2-1-4-10-6-8-17-18-10/h10H,1-9H2,(H,12,13)(H,14,15,16)/t10-/m0/s1","","2017-02-14","2017-10-27","3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid","2017-11-01"],["8NU","3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one","C23 H27 F N4 O2","CC=1N=C5CCCCN5C(C=1CCN2CCC(CC2)c4c3c(cc(cc3)F)on4)=O;CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1;CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F","InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3","","2017-08-17","2018-01-26","3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one","2018-01-31"],["T7I","3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one","C19 H12 F3 N3 O","FC(F)(F)C1=C(c2ccccc2)C3=NC(=CC(=O)N3N1)c4ccccc4;c1ccc(cc1)C2=CC(=O)N3C(=N2)C(=C(N3)C(F)(F)F)c4ccccc4","InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-11,24H","","2022-12-22","2023-01-27","3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one","2023-02-01"],["8NV","7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one","C22 H25 N3 O3 S","c5c3c4c(C(N(C)C=C4c1c(ccc(c1)S(C(C)C)(=O)=O)N(CC2CC2)C3)=O)n5;CC(C)[S](=O)(=O)c1ccc2N(CC3CC3)Cc4c[nH]c5C(=O)N(C)C=C(c2c1)c45;CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C","InChI=1S/C22H25N3O3S/c1-13(2)29(27,28)16-6-7-19-17(8-16)18-12-24(3)22(26)21-20(18)15(9-23-21)11-25(19)10-14-4-5-14/h6-9,12-14,23H,4-5,10-11H2,1-3H3","","2017-02-22","2017-06-16","7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one","2017-06-21"],["T7J","N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide","C13 H15 N O3 S","C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O;CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(C)cc2;Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C","InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1","","2020-03-16","2024-09-27","N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide","2020-03-25"],["T7K","neutral Yb(III)-caged complex","C21 H29 N4 O7 Yb","Oc1ccc(CN2CCN3CCN4CCN(CC2)CC(=O)O[Yb](OC(=O)C4)OC(=O)C3)cc1;c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O","InChI=1S/C21H32N4O7.Yb/c26-18-3-1-17(2-4-18)13-22-5-7-23(14-19(27)28)9-11-25(16-21(31)32)12-10-24(8-6-22)15-20(29)30;/h1-4,26H,5-16H2,(H,27,28)(H,29,30)(H,31,32);/q;+7/p-3","8-[(4-hydroxyphenyl)methyl]-2,17,18-trioxa-5,8,11,14-tetraza-1(gamma)-ytterbatricyclo[9.6.3.25,14]docosane-3,16,19-trione; Yb(III) clathrochelate","2020-12-17","2021-07-16","","2021-07-21"],["8NW","5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide","C11 H21 N O2 S2","OCCCNC(=O)CCCC[CH]1CCSS1;C1CSSC1CCCCC(=O)NCCCO","InChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1","","2017-02-14","2017-10-27","5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide","2017-11-01"],["8NX","8-nitro-3,7-dihydro-1H-purine-2,6-dione","C5 H3 N5 O4","[O-][N+](=O)c1[nH]c2C(=O)NC(=O)Nc2n1;c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O","InChI=1S/C5H3N5O4/c11-3-1-2(8-5(12)9-3)7-4(6-1)10(13)14/h(H3,6,7,8,9,11,12)","8-nitro xanthine","2010-02-03","2021-03-01","8-nitro-3,7-dihydropurine-2,6-dione",""],["T7L","2-phenyl-1,3-thiazole-5-carboxylic acid","C10 H7 N O2 S","O=C(O)c1cnc(s1)c1ccccc1;OC(=O)c1sc(nc1)c2ccccc2;c1ccc(cc1)c2ncc(s2)C(=O)O","InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)","","2023-08-28","2023-11-24","2-phenyl-1,3-thiazole-5-carboxylic acid","2023-11-29"],["T7M","(2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","C46 H82 O16 P2","O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1","Phosphatidylinositol-4-phosphate","2011-07-22","2021-03-01","(2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate",""],["8NY","5-iodanyl-1H-indazole","C7 H5 I N2","Ic1ccc2[nH]ncc2c1;c1cc2c(cc1I)cn[nH]2","InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)","","2015-03-06","2015-05-08","5-iodanyl-1H-indazole","2015-05-13"],["8NZ","5-bromanyl-1~{H}-indole-3-carboxylic acid","C9 H6 Br N O2","OC(=O)c1c[nH]c2ccc(Br)cc12;c1cc2c(cc1Br)c(c[nH]2)C(=O)O","InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)","","2017-02-14","2018-03-02","5-bromanyl-1~{H}-indole-3-carboxylic acid","2018-03-07"],["T7O","3-[3-(acetyloxymethyl)phenyl]benzoic acid","C16 H14 O4","CC(=O)OCc1cccc(c1)c2cccc(c2)C(O)=O;CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C16H14O4/c1-11(17)20-10-12-4-2-5-13(8-12)14-6-3-7-15(9-14)16(18)19/h2-9H,10H2,1H3,(H,18,19)","","2017-07-27","2018-01-05","3-[3-(acetyloxymethyl)phenyl]benzoic acid","2018-01-10"],["T7P","N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide","C12 H12 F N O3 S","C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2;CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(F)cc2;CC(=O)N(c1ccc(cc1)F)C2CS(=O)(=O)C=C2","InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1","","2020-03-16","2024-09-27","N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide","2020-03-25"],["8O0","Hapalindole A","C21 H23 Cl N2","CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34;CC1(c2cccc3c2c(c[nH]3)C4C1CC(C(C4[N+]#[C-])(C)C=C)Cl)C","InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1","","2017-08-21","2018-07-13","","2018-07-18"],["T7Q","(2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid","C16 H15 N2 O3","O=C(O)C([NH3+])Cc1cc2C(=O)c3ccccc3Nc2cc1;[NH3+][CH](Cc1ccc2Nc3ccccc3C(=O)c2c1)C(O)=O;c1ccc2c(c1)C(=O)c3cc(ccc3N2)CC(C(=O)O)[NH3+]","InChI=1S/C16H14N2O3/c17-12(16(20)21)8-9-5-6-14-11(7-9)15(19)10-3-1-2-4-13(10)18-14/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/p+1/t12-/m0/s1","acridone amino acid (RS1)","2022-07-20","2022-12-02","(1S)-1-carboxy-2-(9-oxo-9,10-dihydroacridin-2-yl)ethan-1-aminium","2022-12-07"],["8O1","4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","C20 H23 N3 O3 S","c1c(c(ccc1S(CC)(=O)=O)NCC2CC2)C=3c4c(C(N(C=3)C)=O)ncc4;CC[S](=O)(=O)c1ccc(NCC2CC2)c(c1)C3=CN(C)C(=O)c4[nH]ccc34;CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4","InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3","","2017-02-22","2017-06-16","4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one","2017-06-21"],["8O3","(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one","C14 H16 F3 N3 O2","C(=O)(CC(Cc1c(cc(F)c(c1)F)F)N)N2CC(NCC2)=O;N[CH](CC(=O)N1CCNC(=O)C1)Cc2cc(F)c(F)cc2F;c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCNC(=O)C2)N","InChI=1S/C14H16F3N3O2/c15-10-6-12(17)11(16)4-8(10)3-9(18)5-14(22)20-2-1-19-13(21)7-20/h4,6,9H,1-3,5,7,18H2,(H,19,21)/t9-/m1/s1","","2017-08-22","2019-03-15","4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-2-one","2019-03-20"],["T7R","tungsten cofactor","C20 H24 N10 O14 P2 S4 W","NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C4=C3S[W]5(=O)(=O)(S4)SC6=C(S5)[CH]7NC8=C(N[CH]7O[CH]6CO[P](O)(O)=O)N=C(N)NC8=O)C(=O)N1;C(C1C2=C(C3C(O1)NC4=C(N3)C(=O)NC(=N4)N)S[W]5(=O)(=O)(S2)SC6=C(S5)C7C(NC8=C(N7)C(=O)NC(=N8)N)OC6COP(=O)(O)O)OP(=O)(O)O","InChI=1S/2C10H14N5O6PS2.2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;;;;+4/p-4/t2*2-,3+,9-;;;/m11.../s1","[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-6-sulfanyl-3,4~{a},5,5~{a},8,9~{a}-hexahydropyrano[3,2-g]pteridin-7-yl]sulfanyl-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-7-sulfanyl-3,5,5~{a},6,7,8,9~{a},10-octahydropyrano[3,2-g]pteridin-6-yl]sulfanyl]-bis($l^{1}-oxidanyl)tungsten","2022-12-22","2023-05-26","[(1~{R},1'~{R},10~{R},10'~{R},16~{R},16'~{R})-5,5'-bis(azanyl)-7,7',13,13-tetrakis(oxidanylidene)-16'-(phosphonooxymethyl)-13,13'-spirobi[17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{8}-tungstatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-triene]-16-yl]methyl dihydrogen phosphate","2023-05-31"],["8O4","7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one","C21 H23 N3 O3 S","c5c3c4c(C(N(C=C4c1cc(CS(C)(=O)=O)ccc1N(CC2CC2)C3)C)=O)n5;CN1C=C2c3cc(C[S](C)(=O)=O)ccc3N(CC4CC4)Cc5c[nH]c(C1=O)c25;CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C","InChI=1S/C21H23N3O3S/c1-23-11-17-16-7-14(12-28(2,26)27)5-6-18(16)24(9-13-3-4-13)10-15-8-22-20(19(15)17)21(23)25/h5-8,11,13,22H,3-4,9-10,12H2,1-2H3","","2017-02-22","2017-06-16","7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one","2017-06-21"],["T7S","1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one","C13 H22 N2 O2","N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O;CC(=O)N1CCC(CC1)C(=O)N2CCCCC2;CC(=O)N1CCC(CC1)C(=O)N2CCCCC2","InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3","","2020-03-16","2024-09-27","1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one","2020-03-25"],["8O5","(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide","C30 H36 N4 O5","O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)NC(=O)C=Cc3ccccc3)C(=O)NCc4ccccc4;c1ccc(cc1)CNC(=O)C(C(CC2CCNC2=O)NC(=O)C(CC3CC3)NC(=O)C=Cc4ccccc4)O","InChI=1S/C30H36N4O5/c35-26(14-13-20-7-3-1-4-8-20)33-25(17-21-11-12-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-9-5-2-6-10-22/h1-10,13-14,21,23-25,27,36H,11-12,15-19H2,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-,27+/m0/s1","","2017-02-14","2024-09-27","(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide","2018-03-07"],["T7U","N-cyclopropyl-2-hydroxybenzamide","C10 H11 N O2","O=C(NC1CC1)c1ccccc1O;Oc1ccccc1C(=O)NC2CC2;c1ccc(c(c1)C(=O)NC2CC2)O","InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)","","2023-08-28","2023-11-24","N-cyclopropyl-2-hydroxybenzamide","2023-11-29"],["8O7","N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami\nde","C22 H24 N4 O3 S2","C(N)CNS(=O)(c1ccc(cc1)c2ccc(cc2)CSC4=NC=3CCCC=3C(N4)=O)=O;NCCN[S](=O)(=O)c1ccc(cc1)c2ccc(CSC3=NC4=C(CCC4)C(=O)N3)cc2;c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN","InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)","N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfon\namide","2017-02-22","2020-06-17","N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfonamide","2017-07-12"],["T7V","N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide","C10 H12 Cl N O","c1cc(Cl)cc(C(C)NC(=O)C)c1;C[CH](NC(C)=O)c1cccc(Cl)c1;CC(c1cccc(c1)Cl)NC(=O)C","InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1","","2020-03-16","2024-09-27","N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide","2020-03-25"],["8O8","~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide","C22 H23 N3 O","CN(Cc1cccc2cnccc12)C(=O)c3ccccc3[CH]4CCNC4;CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3C4CCNC4","InChI=1S/C22H23N3O/c1-25(15-18-6-4-5-16-13-24-12-10-19(16)18)22(26)21-8-3-2-7-20(21)17-9-11-23-14-17/h2-8,10,12-13,17,23H,9,11,14-15H2,1H3/t17-/m0/s1","","2017-02-14","2018-03-02","~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide","2018-03-07"],["T7W","(R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid","C20 H22 N6 O4","CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4;CC(C)(CC(=O)N1Cc2c([nH]cn2)CC1c3nc(no3)c4ccncc4)CC(=O)O","InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1"," 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid","2020-12-17","2022-01-07","3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid","2022-01-12"],["8O9","(3S)-piperidin-3-ol","C5 H11 N O","O[CH]1CCCNC1;C1CC(CNC1)O","InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1","(S)-3-Hydroxypiperidine","2021-10-28","2022-11-04","(3~{S})-piperidin-3-ol","2022-11-09"],["T7X","Phosphatidylinositol","C47 H83 O13 P","C1(C(C(C(C(C1O)O)O)O)O)OP(OCC(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CCC=CCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC","InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1","","2016-02-02","2017-01-26","(2R)-1-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11E,14E)-icosa-5,8,11,14-tetraenoate","2017-02-01"],["8OA","(R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide","C25 H28 N4 O4 S","O=C(NC)C(NC(c1oc(cc1)c2ccc(cc2)CSC3=NC4=C(C(N3)=O)CCC4)=O)C(C)C;CNC(=O)[CH](NC(=O)c1oc(cc1)c2ccc(CSC3=NC4=C(CCC4)C(=O)N3)cc2)C(C)C;CC(C)C(C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3","InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m1/s1","","2017-02-22","2017-07-07","N-methyl-N~2~-[5-(4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}phenyl)furan-2-carbonyl]-D-valinamide","2017-07-12"],["T7Y","N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide","C12 H14 N2 O2","N2(c1cccc(c1)NC(C)=O)CCCC2=O;CC(=O)Nc1cccc(c1)N2CCCC2=O;CC(=O)Nc1cccc(c1)N2CCCC2=O","InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)","","2020-03-16","2024-09-27","N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide","2020-03-25"],["T7Z","4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile","C21 H23 N7 O3 S2","O=S(=O)(N1CCOCC1)c2c(ccc(c2)Nc3ncc(C#N)c(n3)C=4S/C(=N/C)NC=4C)C;CN=C1NC(=C(S1)c2nc(Nc3ccc(C)c(c3)[S](=O)(=O)N4CCOCC4)ncc2C#N)C;Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N","InChI=1S/C21H23N7O3S2/c1-13-4-5-16(10-17(13)33(29,30)28-6-8-31-9-7-28)26-20-24-12-15(11-22)18(27-20)19-14(2)25-21(23-3)32-19/h4-5,10,12H,6-9H2,1-3H3,(H,23,25)(H,24,26,27)","","2012-10-02","2014-09-05","4-[(2E)-4-methyl-2-(methylimino)-2,3-dihydro-1,3-thiazol-5-yl]-2-{[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]amino}pyrimidine-5-carbonitrile","2013-01-04"],["8OB","4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol","C11 H7 Cl2 N O2","Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1;c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl","InChI=1S/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H","","2017-02-14","2017-07-14","4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol","2017-07-19"],["8OC","(3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one","C26 H26 F N O5 S","COc1ccc(CN2C[CH](O)[C](Cc3ccc(F)cc3)(C2=O)c4ccc(cc4)[S](C)(=O)=O)cc1;COc1ccc(cc1)CN2CC(C(C2=O)(Cc3ccc(cc3)F)c4ccc(cc4)S(=O)(=O)C)O","InChI=1S/C26H26FNO5S/c1-33-22-11-5-19(6-12-22)16-28-17-24(29)26(25(28)30,15-18-3-9-21(27)10-4-18)20-7-13-23(14-8-20)34(2,31)32/h3-14,24,29H,15-17H2,1-2H3/t24-,26+/m0/s1","","2021-12-22","2022-10-28","(3~{R})-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one","2022-11-02"],["T80","METHYLPENTA(OXYETHYL) HEPTADECANOATE","C29 H58 O7","O=C(OCCOCCOCCOCCOCCOC)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC;CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC","InChI=1S/C29H58O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(30)36-28-27-35-26-25-34-24-23-33-22-21-32-20-19-31-2/h3-28H2,1-2H3","","1999-07-08","2011-06-04","3,6,9,12,15-pentaoxahexadec-1-yl octadecanoate",""],["8OD","[(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate","C10 H15 N5 O11 P2","O=P(O)(O)OP(=O)(O)OCC3OC(N2C(=O)Nc1c(ncnc12)N)C(O)C3O;Nc1ncnc2N([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)Nc12;c1nc(c2c(n1)N(C(=O)N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H15N5O11P2/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H,22,23)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","2010-06-15","2011-06-04","8-oxoadenosine 5'-(trihydrogen diphosphate)",""],["T81","1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one","C11 H15 Br N2 O S","N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Br;CC(=O)N1CCN(CC1)Cc2sc(Br)cc2;CC(=O)N1CCN(CC1)Cc2ccc(s2)Br","InChI=1S/C11H15BrN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3","","2020-03-16","2024-09-27","1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8OE","4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline","C11 H8 Cl2 N2 O","Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1;c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl","InChI=1S/C11H8Cl2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2","","2017-02-14","2017-07-14","4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline","2017-07-19"],["T82","(S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium","C16 H15 Br Cl N3 O2","NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2;c1cc(cc(c1)Cl)C(CN)C(=O)NN=Cc2ccc(c(c2)Br)O","InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1","(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide","2020-12-17","2022-01-07","(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide","2022-01-12"],["8OF","N-(4-methoxyphenyl)quinolin-4-amine","C16 H14 N2 O","COc1ccc(Nc2ccnc3ccccc23)cc1;COc1ccc(cc1)Nc2ccnc3c2cccc3","InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)","","2017-08-22","2018-08-03","~{N}-(4-methoxyphenyl)quinolin-4-amine","2018-08-08"],["T83","7-hydroxy-6-methoxy-2H-1-benzopyran-2-one","C10 H8 O4","COc1cc2C=CC(=O)Oc2cc1O;COc1cc2C=CC(=O)Oc2cc1O;COc1cc2c(cc1O)OC(=O)C=C2","InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3","","2022-07-20","2023-01-06","7-hydroxy-6-methoxy-2H-1-benzopyran-2-one","2023-01-11"],["T84","1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one","C11 H16 N2 O S","N1(CCN(CC1)C(C)=O)Cc2ccsc2;CC(=O)N1CCN(CC1)Cc2cscc2;CC(=O)N1CCN(CC1)Cc2ccsc2","InChI=1S/C11H16N2OS/c1-10(14)13-5-3-12(4-6-13)8-11-2-7-15-9-11/h2,7,9H,3-6,8H2,1H3","","2020-03-16","2024-09-27","1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8OG","8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)N1;C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1","8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","2000-10-03","2021-03-13","2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate)",""],["T85","2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde","C16 H11 I N2 O","Ic1cc(ccc1C=O)n2ccnc2c3ccccc3;c1ccc(cc1)c2nccn2c3ccc(c(c3)I)C=O","InChI=1S/C16H11IN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H","","2022-12-22","2024-09-27","2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde","2023-06-14"],["8OH","2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine","C19 H16 N4 S","Nc1ccc2c(NCc3sccc3)nc(nc2c1)c4ccccc4;c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N","InChI=1S/C19H16N4S/c20-14-8-9-16-17(11-14)22-18(13-5-2-1-3-6-13)23-19(16)21-12-15-7-4-10-24-15/h1-11H,12,20H2,(H,21,22,23)","","2017-02-14","2017-09-15","2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine","2017-09-20"],["8OJ","(S)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide","C25 H28 N4 O4 S","CNC(C(C(C)C)NC(=O)c1oc(cc1)c4ccc(CSC3=NC=2CCCC=2C(N3)=O)cc4)=O;CNC(=O)[CH](NC(=O)c1oc(cc1)c2ccc(CSC3=NC4=C(CCC4)C(=O)N3)cc2)C(C)C;CC(C)C(C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3","InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m0/s1","","2017-02-22","2017-07-07","N-methyl-N~2~-[5-(4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}phenyl)furan-2-carbonyl]-L-valinamide","2017-07-12"],["T86","3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide","C15 H12 Cl2 N2 O4","COc1ccc(cc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)NO;COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO","InChI=1S/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)19-22)6-12(13)18-15(21)10-4-3-9(16)7-11(10)17/h2-7,22H,1H3,(H,18,21)(H,19,20)","","2018-10-08","2018-10-26","3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide","2018-10-31"],["8OK","2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine","C26 H27 N5 O","Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)c4ccc(cc4)N5CCOCC5;c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N","InChI=1S/C26H27N5O/c27-21-8-11-23-24(18-21)29-25(30-26(23)28-13-12-19-4-2-1-3-5-19)20-6-9-22(10-7-20)31-14-16-32-17-15-31/h1-11,18H,12-17,27H2,(H,28,29,30)","","2017-02-14","2017-09-15","2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine","2017-09-20"],["T87","[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER","C29 H31 N7 O3","O=C(OCC)CON=C(c1ncccc1)C5(c4ccc2c(nc(n2C)CNc3ccc(C(=[N@H])N)cc3)c4)CC5;CCOC(=O)CON=C(c1ccccn1)C2(CC2)c3ccc4n(C)c(CNc5ccc(cc5)C(N)=N)nc4c3;[H]N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)C(=NOCC(=O)OCC)c5ccccn5)N","InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-","","2000-11-22","2011-06-04","ethyl ({[(1E)-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)cyclopropyl](pyridin-2-yl)methylidene]amino}oxy)acetate",""],["8OL","(S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one","C19 H26 F3 N3 O3","C(CC(Cc1c(cc(c(c1)F)F)F)N)(=O)N2C(C(=O)NCC2)COC(C)(C)C;CC(C)(C)OC[CH]1N(CCNC1=O)C(=O)C[CH](N)Cc2cc(F)c(F)cc2F;CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(Cc2cc(c(cc2F)F)F)N","InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16+/m1/s1","","2017-08-22","2019-03-15","(3S)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butoxymethyl)piperazin-2-one","2019-03-20"],["T88","N-{4-[(2R)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C22 H30 Cl2 N2 O4 S","c1(c(Cl)ccc(c1)CCN(CC(COc2ccc(cc2)NS(=O)(C)=O)O)CCCC)Cl;CCCCN(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2;CCCCN(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O","InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m1/s1","","2018-07-30","2019-01-25","N-{4-[(2R)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["8OM","(S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid","C25 H27 N3 O5 S2","c4c(c3ccc(CSC=1NC(C2=C(N=1)CCC2)=O)cc3)ccc(c4)S(NC(C(=O)O)C(C)C)(=O)=O;CC(C)[CH](N[S](=O)(=O)c1ccc(cc1)c2ccc(CSC3=NC4=C(CCC4)C(=O)N3)cc2)C(O)=O;CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3","InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1","","2017-02-22","2017-07-07","N-[(4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-yl)sulfonyl]-L-valine","2017-07-12"],["T89","[4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone","C13 H17 N O2","O=C(c1ccccc1)N1CCC(CO)CC1;OCC1CCN(CC1)C(=O)c2ccccc2;c1ccc(cc1)C(=O)N2CCC(CC2)CO","InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2","","2023-08-28","2023-11-24","[4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone","2023-11-29"],["8ON","1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone","C28 H30 N6 O","CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc(NCCc4ccccc4)c5ccc(N)cc5n3;CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N","InChI=1S/C28H30N6O/c1-20(35)33-15-17-34(18-16-33)24-10-7-22(8-11-24)27-31-26-19-23(29)9-12-25(26)28(32-27)30-14-13-21-5-3-2-4-6-21/h2-12,19H,13-18,29H2,1H3,(H,30,31,32)","","2017-02-14","2017-09-15","1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone","2017-09-20"],["T8A","1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one","C17 H17 N O","c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2;CC(=O)N1C[CH](c2ccccc2)c3ccccc3C1;CC(=O)N1Cc2ccccc2C(C1)c3ccccc3","InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1","","2020-03-16","2024-09-27","1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one","2020-03-25"],["T8B","Thermorubin","C32 H24 O12","O=C(OC)C=5OC(=O)c4c(O)c3c(OC)c2c(OC)c(C(=O)C=C(/O)c1ccccc1O)c(cc2cc3cc4C=5)CC(=O)O;COC(=O)C1=Cc2cc3cc4cc(CC(O)=O)c(C(=O)C=C(O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2C(=O)O1;COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)C=C(c4ccccc4O)O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC","InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-","{12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid","2011-12-09","2021-03-13","{12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid",""],["8OP","[(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O8 P","O=P(O)(O)OCC3OC(N2C(=O)Nc1c(ncnc12)N)C(O)C3O;Nc1ncnc2N([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)Nc12;c1nc(c2c(n1)N(C(=O)N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O8P/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1","","2010-05-19","2011-06-04","8-oxoadenosine 5'-(dihydrogen phosphate)",""],["8OQ","alpha-D-aceric acid","C6 H10 O6","C[CH]1O[CH](O)[CH](O)[C]1(O)C(O)=O;CC1C(C(C(O1)O)O)(C(=O)O)O","InChI=1S/C6H10O6/c1-2-6(11,5(9)10)3(7)4(8)12-2/h2-4,7-8,11H,1H3,(H,9,10)/t2-,3+,4+,6+/m1/s1","","2017-02-14","2020-07-17","(2~{R},3~{R},4~{R},5~{S})-2-methyl-3,4,5-tris(oxidanyl)oxolane-3-carboxylic acid","2017-03-22"],["T8D","1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one","C10 H13 Cl N2 O3 S2","N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O;CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2;CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl","InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3","","2020-03-16","2024-09-27","1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8OR","2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one","C20 H24 N6 O3 S","C[S](=O)(=O)c1ccc(Nc2nc(N[CH]3CCCC[CH]3N)nc4C=CNC(=O)c24)cc1;CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)NC4CCCCC4N)C=CNC3=O","InChI=1S/C20H24N6O3S/c1-30(28,29)13-8-6-12(7-9-13)23-18-17-16(10-11-22-19(17)27)25-20(26-18)24-15-5-3-2-4-14(15)21/h6-11,14-15H,2-5,21H2,1H3,(H,22,27)(H2,23,24,25,26)/t14-,15-/m0/s1","(1S,2S)-2-((4-((4-(methylsulfonyl)phenyl)amino)-5-oxo-5,6-dihydropyrido[4,3-d]pyrimidin-2-yl)amino)cyclohexan-1-aminium","2017-08-23","2020-06-17","2-[[(1~{S},2~{S})-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6~{H}-pyrido[4,3-d]pyrimidin-5-one","2018-06-27"],["T8E","~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide","C11 H13 N O2 S","C[CH](S)C(=O)Nc1ccc(cc1)C(C)=O;CC(C(=O)Nc1ccc(cc1)C(=O)C)S","InChI=1S/C11H13NO2S/c1-7(13)9-3-5-10(6-4-9)12-11(14)8(2)15/h3-6,8,15H,1-2H3,(H,12,14)/t8-/m0/s1","","2020-12-17","2023-05-05","~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide","2023-05-10"],["8OS","5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine","C14 H18 N7 O7 P","O=C1NC(N)=Nc2c1ncn2C3OC(C(C3O)O)COP(c4ncnc4C)(O)=O;Cc1nc[nH]c1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N;Cc1c([nH]cn1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C14H18N7O7P/c1-5-12(17-3-16-5)29(25,26)27-2-6-8(22)9(23)13(28-6)21-4-18-7-10(21)19-14(15)20-11(7)24/h3-4,6,8-9,13,22-23H,2H2,1H3,(H,16,17)(H,25,26)(H3,15,19,20,24)/t6-,8-,9-,13-/m1/s1","","2017-02-22","2017-03-03","5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine","2017-03-08"],["T8G","(2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C18 H27 N O6 S","C[CH](O)[CH](C=O)[CH]1N=C([CH](SCC(=O)OC2CCCCC2)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SCC(=O)OC2CCCCC2","InChI=1S/C18H27NO6S/c1-10-15(13(8-20)11(2)21)19-16(18(23)24)17(10)26-9-14(22)25-12-6-4-3-5-7-12/h8,10-13,15,17,21H,3-7,9H2,1-2H3,(H,23,24)/t10-,11-,13-,15-,17-/m1/s1","","2015-09-30","2016-10-07","(2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2016-10-12"],["8OT","2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine","C20 H18 N4 S","Nc1ccc2c(NCCc3sccc3)nc(nc2c1)c4ccccc4;c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N","InChI=1S/C20H18N4S/c21-15-8-9-17-18(13-15)23-19(14-5-2-1-3-6-14)24-20(17)22-11-10-16-7-4-12-25-16/h1-9,12-13H,10-11,21H2,(H,22,23,24)","","2017-02-14","2017-09-15","2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine","2017-09-20"],["T8H","3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C22 H24 N2 O5","CN1C(=O)N(C2CCCC2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)C3CCCC3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C22H24N2O5/c1-12-14(20(27)19-16(25)8-5-9-17(19)26)10-11-15-18(12)21(28)24(22(29)23(15)2)13-6-3-4-7-13/h10-11,13,25H,3-9H2,1-2H3","","2023-04-20","2023-12-15","3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2023-12-20"],["8OU","4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one","C20 H21 N7 O2","Cn1ncc2cc(Nc3nc(nc4CC=NC(=O)c34)N5CCC(O)CC5)ccc12;Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O","InChI=1S/C20H21N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-3,7,10-11,14,28H,4-6,8-9H2,1H3,(H,23,24,25)","2-(4-hydroxypiperidin-1-yl)-4-((1-methyl-1H-indazol-5-yl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one","2017-08-23","2020-06-17","4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8~{H}-pyrido[4,3-d]pyrimidin-5-one","2018-06-27"],["T8I","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide","C20 H17 F3 N4 O4","COc1nccc(c1)CCNC(=O)C=1NC(=NC(=O)C=1O)c1ccc(cc1)C(F)(F)F;COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3ccc(cc3)C(F)(F)F)ccn1;COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccc(cc3)C(F)(F)F)O","InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-2-4-13(5-3-12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30)","","2022-07-20","2022-09-09","5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide","2022-09-14"],["8OV","N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide","C27 H30 F3 N7 O3","n1cc(c(nc1Nc2c(cc(cc2)N3CCN(C(=O)C)CC3)OC)Nc4cccc(c4)NC(CC)=O)C(F)(F)F;CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(cc3OC)N4CCN(CC4)C(C)=O)ncc2C(F)(F)F)c1;CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F","InChI=1S/C27H30F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h5-9,14-16H,4,10-13H2,1-3H3,(H,32,39)(H2,31,33,34,35)","","2017-02-23","2024-09-27","N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide","2017-10-18"],["T8J","1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one","C11 H14 N2 O2 S","N1(CCN(CC1)C(C)=O)C(c2cccs2)=O;CC(=O)N1CCN(CC1)C(=O)c2sccc2;CC(=O)N1CCN(CC1)C(=O)c2cccs2","InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3","","2020-03-16","2024-09-27","1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one","2020-03-25"],["T8K","[1-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-methyl-imidazol-1-ium-2-yl]-nitrooxy-tris(oxidanyl)ruthenium","C10 H19 N3 O11 Ru","Cn1cc[n+]([CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)c1[Ru](O)(O)(O)O[N+]([O-])=O;Cn1cc[n+](c1[Ru](O)(O)(O)O[N+](=O)[O-])C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H16N2O5.NO3.3H2O.Ru/c1-11-2-3-12(5-11)10-9(16)8(15)7(14)6(4-13)17-10;2-1(3)4;;;;/h2-3,6-10,13-16H,4H2,1H3;;3*1H2;/q+1;-1;;;;+4/p-3/t6-,7+,8+,9-,10-;;;;;/m1...../s1","(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione","2023-01-04","2024-01-05","[1-[(3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-methyl-imidazol-1-ium-2-yl]-nitrooxy-tris(oxidanyl)ruthenium","2024-01-10"],["8OW","~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine","C21 H17 F N4","Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4;c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N","InChI=1S/C21H17FN4/c22-16-8-6-14(7-9-16)13-24-21-18-11-10-17(23)12-19(18)25-20(26-21)15-4-2-1-3-5-15/h1-12H,13,23H2,(H,24,25,26)","","2017-02-14","2017-09-15","~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine","2017-09-20"],["8OX","6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one","C10 H13 N5 O5","O=C2Nc1c(ncnc1N2C3OC(C(O)C3O)CO)N;Nc1ncnc2N([CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)Nc12;c1nc(c2c(n1)N(C(=O)N2)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H13N5O5/c11-7-4-8(13-2-12-7)15(10(19)14-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,14,19)(H2,11,12,13)/t3-,5-,6-,9-/m1/s1","8-oxoadenosine","2010-05-19","2021-03-01","8-oxoadenosine",""],["T8L","Thio-phosohothreonine","C4 H10 N O5 P S","C[CH](O[P](O)(S)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OP(=O)(O)S","InChI=1S/C4H10NO5PS/c1-2(3(5)4(6)7)10-11(8,9)12/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,12)/t2-,3+/m1/s1","","2017-12-22","2024-09-27","(2~{S},3~{R})-2-azanyl-3-[oxidanyl(sulfanyl)phosphoryl]oxy-butanoic acid","2018-01-03"],["T8M","1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one","C11 H16 N2 O S","N1(CCN(CC1)C(C)=O)Cc2cccs2;CC(=O)N1CCN(CC1)Cc2sccc2;CC(=O)N1CCN(CC1)Cc2cccs2","InChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3","","2020-03-16","2024-09-27","1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one","2020-03-25"],["8OY","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid","C26 H27 N3 O3","O=C(Nc1c(cc(cc1)C(O)=O)Nc2ccccc2)c4nc(CC3CCCCC3)ccc4;OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc4ccccc4)c1;c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O","InChI=1S/C26H27N3O3/c30-25(23-13-7-12-21(28-23)16-18-8-3-1-4-9-18)29-22-15-14-19(26(31)32)17-24(22)27-20-10-5-2-6-11-20/h2,5-7,10-15,17-18,27H,1,3-4,8-9,16H2,(H,29,30)(H,31,32)","","2017-02-23","2017-03-03","4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid","2017-03-08"],["8OZ","2-Phenylacrylic acid","C9 H8 O2","OC(=O)C(=C)c1ccccc1;C=C(c1ccccc1)C(=O)O","InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)","","2017-02-15","2017-05-12","2-phenylprop-2-enoic acid","2017-05-17"],["T8N","(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid","C7 H8 O6","O=C(O)/C(=C/C(=O)O)CC(=O)OC;COC(=O)CC(=CC(O)=O)C(O)=O;COC(=O)CC(=CC(=O)O)C(=O)O","InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+","","2009-02-10","2011-06-04","(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid",""],["8P0","pyrene","C16 H10","c1cc4c3c(c1)ccc2cccc(c23)cc4;c1cc2ccc3cccc4ccc(c1)c2c34;c1cc2ccc3cccc4c3c2c(c1)cc4","InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H","","2017-04-13","2018-04-20","pyrene","2018-04-25"],["T8O","4-[(difluoromethyl)sulfanyl]aniline","C7 H7 F2 N S","FC(F)Sc1ccc(N)cc1;Nc1ccc(SC(F)F)cc1;c1cc(ccc1N)SC(F)F","InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2","","2023-08-28","2023-11-24","4-[(difluoromethyl)sulfanyl]aniline","2023-11-29"],["T8P","1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one","C13 H18 N2 O2","N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C;COc1ccc(cc1)N2CCN(CC2)C(C)=O;CC(=O)N1CCN(CC1)c2ccc(cc2)OC","InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3","","2020-03-16","2024-09-27","1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one","2020-03-25"],["8P1","6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one","C10 H11 N O","Nc1ccc2C(=O)CCCc2c1;c1cc2c(cc1N)CCCC2=O","InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2","","2017-02-24","2017-03-10","6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one","2017-03-15"],["8P2","[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium","C7 H11 N2 O4","O[CH]1[CH](O)[CH](C[N+]#N)[CH]2O[CH]2[CH]1O;C(C1C(C(C(C2C1O2)O)O)O)[N+]#N","InChI=1S/C7H11N2O4/c8-9-1-2-3(10)4(11)5(12)7-6(2)13-7/h2-7,10-12H,1H2/q+1/t2-,3-,4+,5-,6-,7+/m1/s1","","2017-02-16","2017-02-24","[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium","2017-03-01"],["T8Q","N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine","C23 H36 N6 O6","CC(C)(C)OC(=O)N1CCC(CC1)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;CC(C)(C)OC(=O)N1CCC(CCCNc2ncnc3n(cnc23)[CH]4O[CH](CO)[CH](O)[CH]4O)CC1;CC(C)(C)OC(=O)N1CCC(CC1)CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O","InChI=1S/C23H36N6O6/c1-23(2,3)35-22(33)28-9-6-14(7-10-28)5-4-8-24-19-16-20(26-12-25-19)29(13-27-16)21-18(32)17(31)15(11-30)34-21/h12-15,17-18,21,30-32H,4-11H2,1-3H3,(H,24,25,26)/t15-,17-,18-,21-/m1/s1","","2022-07-20","2023-01-06","N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine","2023-01-11"],["8P3","2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid","C16 H13 N O3","O=C(O)c1ccccc1CN3c2ccccc2CC3=O;OC(=O)c1ccccc1CN2C(=O)Cc3ccccc23;c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O","InChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20)","","2013-11-22","2013-11-29","2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid","2013-12-04"],["T8R","5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one","C22 H21 N O4","CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14;CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O","InChI=1S/C22H21NO4/c1-2-3-6-9-23-13-16(15-7-4-5-8-17(15)23)20-12-19(26)22-18(25)10-14(24)11-21(22)27-20/h4-5,7-8,10-13,24-25H,2-3,6,9H2,1H3","","2023-01-04","2023-11-17","5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one","2023-11-22"],["T8S","1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide","C12 H22 N2 O2","N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C;CC(C)N(C)C(=O)C1CCN(CC1)C(C)=O;CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C","InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3","","2020-03-16","2024-09-27","1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide","2020-03-25"],["8P4","1-(4-fluorophenyl)thiourea","C7 H7 F N2 S","NC(=S)Nc1ccc(F)cc1;c1cc(ccc1NC(=S)N)F","InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)","","2017-02-24","2017-03-10","1-(4-fluorophenyl)thiourea","2017-03-15"],["8P5","azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium","C13 H23 N4 O5","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2[CH]1[CH]2C(=O)NCCCCN=[N+]=N;C(CCN=[N+]=N)CNC(=O)C1C2C1C(C(C(C2CO)O)O)O","InChI=1S/C13H22N4O5/c14-17-16-4-2-1-3-15-13(22)9-7-6(5-18)10(19)12(21)11(20)8(7)9/h6-12,14,18-21H,1-5H2/p+1/t6-,7+,8-,9-,10+,11-,12-/m0/s1","","2017-02-16","2017-02-24","azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium","2017-03-01"],["T8T","2'-deoxyguanosine-5'-O-(1-thiotriphosphate)","C10 H16 N5 O12 P3 S","O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n1cnc2c1NC(=NC2=O)N)CC3O;NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)c2N1;c1nc2c(n1C3CC(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N","InChI=1S/C10H16N5O12P3S/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-30(23,31)27-29(21,22)26-28(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,31)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,30+/m0/s1","","2013-07-25","2013-10-18","2'-deoxy-5'-O-[(R)-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]guanosine","2013-10-23"],["8P6","Hapalindole U","C21 H24 N2","CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34;CC1(c2cccc3c2c(c[nH]3)C4C1CCC(C4[N+]#[C-])(C)C=C)C","InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1","","2017-08-23","2018-07-13","","2018-07-18"],["T8U","3-[(4-fluorophenyl)methyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C24 H21 F N2 O5","CN1C(=O)N(Cc2ccc(F)cc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccc(cc3)F)C(=O)C4=C(CCCC4=O)O","InChI=1S/C24H21FN2O5/c1-13-16(22(30)21-18(28)4-3-5-19(21)29)10-11-17-20(13)23(31)27(24(32)26(17)2)12-14-6-8-15(25)9-7-14/h6-11,28H,3-5,12H2,1-2H3","","2023-04-20","2023-12-15","3-[(4-fluorophenyl)methyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2023-12-20"],["T8V","N-(2-chloropyridin-3-yl)acetamide","C7 H7 Cl N2 O","n1cccc(c1Cl)NC(C)=O;CC(=O)Nc1cccnc1Cl;CC(=O)Nc1cccnc1Cl","InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11)","","2020-03-16","2024-09-27","N-(2-chloropyridin-3-yl)acetamide","2020-03-25"],["8P7","2-methyl-1~{H}-benzimidazole","C8 H8 N2","Cc1[nH]c2ccccc2n1;Cc1[nH]c2ccccc2n1","InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)","","2017-02-24","2017-03-10","2-methyl-1~{H}-benzimidazole","2017-03-15"],["8P8","C Fe7 S8 V","C Fe7 S8 V","S1[Fe]23[S-]4[V]5[S-]6[Fe]4[C++]2789[Fe]%10[S-]%11[Fe]%12[S-]%10[Fe]7(S[Fe]68[S-]35)[S-]%12[Fe]19%11;[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81","InChI=1S/C.7Fe.8S.V/q+2;;;;;;;;;;6*-1;","","2017-02-17","2017-07-21","","2017-07-26"],["T8W","4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate","C112 H88 O32 S8","Oc1c2Cc3cc(Cc4ccc(cc4)[S]([O-])(=O)=O)cc(Cc5cc(Cc6ccc(cc6)[S]([O-])(=O)=O)cc(Cc7cc(Cc8ccc(cc8)[S]([O-])(=O)=O)cc(Cc9cc(Cc%10ccc(cc%10)[S]([O-])(=O)=O)cc(Cc%11cc(Cc%12ccc(cc%12)[S]([O-])(=O)=O)cc(Cc%13cc(Cc%14ccc(cc%14)[S]([O-])(=O)=O)cc(Cc%15cc(Cc%16ccc(cc%16)[S]([O-])(=O)=O)cc(Cc1cc(Cc%17ccc(cc%17)[S]([O-])(=O)=O)c2)c%15O)c%13O)c%11O)c9O)c7O)c5O)c3O;c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-]","InChI=1S/C112H96O32S8/c113-105-81-41-73(33-65-1-17-97(18-2-65)145(121,122)123)42-82(105)58-84-44-75(35-67-5-21-99(22-6-67)147(127,128)129)46-86(107(84)115)60-88-48-77(37-69-9-25-101(26-10-69)149(133,134)135)50-90(109(88)117)62-92-52-79(39-71-13-29-103(30-14-71)151(139,140)141)54-94(111(92)119)64-96-56-80(40-72-15-31-104(32-16-72)152(142,143)144)55-95(112(96)120)63-93-53-78(38-70-11-27-102(28-12-70)150(136,137)138)51-91(110(93)118)61-89-49-76(36-68-7-23-100(24-8-68)148(130,131)132)47-87(108(89)116)59-85-45-74(43-83(57-81)106(85)114)34-66-3-19-98(20-4-66)146(124,125)126/h1-32,41-56,113-120H,33-40,57-64H2,(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)/p-8","p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane","2020-12-18","2021-10-15","","2021-10-20"],["T8X","2-O-sulfo-alpha-D-glucopyranosyl\n2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside","C56 H104 O16 S","O=S(=O)(O)OC2C(O)C(O)C(OC2OC1OC(CO)C(O)C(OC(=O)/C(=C/C(C)CC(C)CC(C)CCCCCCCCCCCCCCCC)C)C1OC(=O)CCCCCCCCCCCCCCC)CO;CCCCCCCCCCCCCCCC[CH](C)C[CH](C)C[CH](C)C=C(C)C(=O)O[CH]1[CH](O)[CH](CO)O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[S](O)(=O)=O)[CH]1OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C=C(C)C(=O)OC1C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2C(C(C(C(O2)CO)O)O)OS(=O)(=O)O)CO)O","InChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1","2-Palmitoyl-3-[2S,4S,6S,8S-tetramethyl-trans-2-tetracosenoyl]-2'-sulfate-alpha-alpha'-D-trehalose","2011-08-18","2020-06-17","2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside",""],["8P9","5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide","C16 H15 Cl N2 O5 S","COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Cl)ccc3OC;Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl","InChI=1S/C16H15ClN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3","","2017-08-24","2018-06-08","5-chloranyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide","2018-06-13"],["8PA","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium","C20 H26 N5 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)C=Cc3cccnc3;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)C=Cc3cccnc3)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C=Cc3cccnc3)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C20H25N5O8P2S/c1-13-18(7-9-32-35(30,31)33-34(27,28)29)36-20(17(26)6-5-15-4-3-8-22-10-15)25(13)12-16-11-23-14(2)24-19(16)21/h3-6,8,10-11,17,26H,7,9,12H2,1-2H3,(H4-,21,23,24,27,28,29,30,31)/p+1/b6-5+/t17-/m0/s1","","2008-11-07","2011-06-04","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium",""],["T8Y","1,1'-(piperazine-1,4-diyl)di(ethan-1-one)","C8 H14 N2 O2","N1(CCN(CC1)C(C)=O)C(=O)C;CC(=O)N1CCN(CC1)C(C)=O;CC(=O)N1CCN(CC1)C(=O)C","InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3","","2020-03-16","2024-09-27","1,1'-(piperazine-1,4-diyl)di(ethan-1-one)","2020-03-25"],["8PB","(3R)-1-methylpyrrolidin-3-ol","C5 H11 N O","CN1CC[CH](O)C1;CN1CCC(C1)O","InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m1/s1","(R)-3-Hydroxy-1-methylpyrrolidine","2021-10-28","2022-11-04","(3~{R})-1-methylpyrrolidin-3-ol","2022-11-09"],["T8Z","2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole","C20 H21 N7","Cn1nncc1c2[nH]c3cc(CN4CCC[CH]4c5ccncc5)ccc3n2;Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCCC4c5ccncc5","InChI=1S/C20H21N7/c1-26-19(12-22-25-26)20-23-16-5-4-14(11-17(16)24-20)13-27-10-2-3-18(27)15-6-8-21-9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,23,24)/t18-/m0/s1","2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-1~{H}-benzimidazole","2020-12-18","2021-10-15","2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-1~{H}-benzimidazole","2021-10-20"],["8PC","2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL","C18 H13 Cl2 N O2","Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3;Oc1cc(Cc2ccccn2)ccc1Oc3ccc(Cl)cc3Cl;c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl","InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2","","2007-04-25","2011-06-04","2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol",""],["T90","1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone","C20 H21 N3 O2 S","COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O;Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C","InChI=1S/C20H21N3O2S/c1-14(24)17-9-10-19(25-3)18(11-17)13-26-20-22-21-15(2)23(20)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3","","2016-06-08","2019-08-16","1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone","2019-08-21"],["8PD","(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid","C20 H39 N O4","CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O;CCCCCCCCCCCCCCCC(=O)NC(CCO)C(=O)O","InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1","","2021-12-23","2022-12-09","(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid","2022-12-14"],["T91","N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide","C14 H19 N3 O","n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2;CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1;CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1","InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)","","2020-03-16","2020-04-17","N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide","2020-04-22"],["8PE","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate","C37 H74 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC","InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1","3-SN-PHOSPHATIDYLETHANOLAMINE","2008-04-28","2021-03-01","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate",""],["T92","2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate","C24 H25 Cl N6 O2","CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Nc3ccccc3OC([C@H]=C)=O)n4;CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4OC(=O)C=C)n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl","InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)","","2016-04-21","2024-09-27","2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate","2017-02-15"],["T93","[[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid","C12 H22 N2 O7 P2","CCCCCCOc1ccnc(NC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C12H22N2O7P2/c1-2-3-4-5-8-21-10-6-7-13-11(9-10)14-12(22(15,16)17)23(18,19)20/h6-7,9,12H,2-5,8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)","","2017-10-03","2018-09-21","[[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid","2018-09-26"],["8PF","pentadecafluorooctanoic acid","C8 H F15 O2","C(F)(C(F)(C(C(F)(F)F)(F)F)F)(C(F)(C(F)(F)C(F)(F)C(O)=O)F)F;OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)","","2016-04-22","2016-09-30","pentadecafluorooctanoic acid","2016-10-05"],["8PG","(8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID","C20 H32 O4","O=C(O)CCCCCCC1C(=O)C=CC1/C=C/C(O)CCCCC;CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O;CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O","InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1","8-ISO PROSTAGLANDIN A1 (8-ISO PGA1)","2006-02-27","2021-03-01","(8beta,12alpha,13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid",""],["T94","1-(3,4,5-trihydroxyphenyl)nonan-1-one","C15 H22 O4","O=C(c1cc(O)c(O)c(O)c1)CCCCCCCC;CCCCCCCCC(=O)c1cc(O)c(O)c(O)c1;CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3","","2013-03-13","2013-12-13","1-(3,4,5-trihydroxyphenyl)nonan-1-one","2013-12-18"],["8PH","hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate","C15 H30 N2 O7 P2","[O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1cc[n+](c1)CCCCCCCCCC;CCCCCCCCCC[n+]1ccn(C[C](O)([P](O)(O)=O)[P](O)([O-])=O)c1;CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]","InChI=1S/C15H30N2O7P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(18,25(19,20)21)26(22,23)24/h11-12,14,18H,2-10,13H2,1H3,(H3-,19,20,21,22,23,24)","","2013-06-12","2014-06-13","hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate","2014-06-18"],["T95","N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide","C33 H38 N6 O4","O=C(Nc1c(cccc1C)C)c3c(Oc2ccccc2OCC)nc(nc3)Nc5ccc(N4CCN(CCO)CC4)cc5;CCOc1ccccc1Oc2nc(Nc3ccc(cc3)N4CCN(CCO)CC4)ncc2C(=O)Nc5c(C)cccc5C;CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C","InChI=1S/C33H38N6O4/c1-4-42-28-10-5-6-11-29(28)43-32-27(31(41)36-30-23(2)8-7-9-24(30)3)22-34-33(37-32)35-25-12-14-26(15-13-25)39-18-16-38(17-19-39)20-21-40/h5-15,22,40H,4,16-21H2,1-3H3,(H,36,41)(H,34,35,37)","","2008-10-02","2011-06-04","N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide",""],["8PI","1-{[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]amino}-1,2-dideoxy-5-O-phosphono-D-erythro-pentitol","C10 H18 N5 O8 P","O=C1N=C(N)N=C(NCCC(O)C(O)COP(=O)(O)O)C1NC=O;NC1=NC(=O)[CH](NC=O)C(=N1)NCC[CH](O)[CH](O)CO[P](O)(O)=O;C(CNC1=NC(=NC(=O)C1NC=O)N)C(C(COP(=O)(O)O)O)O","InChI=1S/C10H18N5O8P/c11-10-14-8(7(13-4-16)9(19)15-10)12-2-1-5(17)6(18)3-23-24(20,21)22/h4-7,17-18H,1-3H2,(H,13,16)(H2,20,21,22)(H3,11,12,14,15,19)/t5-,6+,7-/m0/s1","","2021-09-23","2022-07-29","1-{[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]amino}-1,2-dideoxy-5-O-phosphono-D-erythro-pentitol","2022-08-03"],["T96","N-[(4-aminophenyl)methyl]adenosine","C17 H20 N6 O4","Nc1ccc(cc1)CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;Nc1ccc(CNc2ncnc3n(cnc23)[CH]4O[CH](CO)[CH](O)[CH]4O)cc1;c1cc(ccc1CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)N","InChI=1S/C17H20N6O4/c18-10-3-1-9(2-4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6,18H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1","","2022-07-20","2023-01-06","N-[(4-aminophenyl)methyl]adenosine","2023-01-11"],["8PJ","3-nitropyridin-2-ol","C5 H4 N2 O3","Oc1ncccc1[N+]([O-])=O;c1cc(c(nc1)O)[N+](=O)[O-]","InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)","","2017-02-24","2017-03-10","3-nitropyridin-2-ol","2017-03-15"],["T97","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","C22 H30 Cl2 N2 O4 S","c1(Cl)c(Cl)ccc(c1)CCN(CC(C)C)CC(O)COc2ccc(cc2)NS(=O)(=O)C;CC(C)CN(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2;CC(C)CN(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O","InChI=1S/C22H30Cl2N2O4S/c1-16(2)13-26(11-10-17-4-9-21(23)22(24)12-17)14-19(27)15-30-20-7-5-18(6-8-20)25-31(3,28)29/h4-9,12,16,19,25,27H,10-11,13-15H2,1-3H3/t19-/m0/s1","","2018-07-30","2019-01-25","N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide","2019-01-30"],["8PK","4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose","C9 H18 O6","CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O;CC1C(C(C(C(O1)O)OC)O)OC(C)O","InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1","2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose; 6-deoxy-4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-galactopyranose;\n4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucose; 4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-L-fucose;\n4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-fucose","2017-02-18","2020-07-17","(2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol","2017-03-22"],["T98","5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE","C16 H15 N3 O S","N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C;Cn1c(ccc1c2ccc3NC(=S)OC(C)(C)c3c2)C#N;CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C","InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)","TANAPROGET","2005-06-17","2021-03-01","5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile",""],["8PL","(2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid","C12 H14 F N O3 S","C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(F)cc1;CC(CS)C(=O)NC(c1ccc(cc1)F)C(=O)O","InChI=1S/C12H14FNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,14,15)(H,16,17)/t7-,10-/m1/s1","(R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid","2017-08-24","2020-06-17","(2~{R})-2-(4-fluorophenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid","2018-01-24"],["T99","ADENOSINE-5'-SP-ALPHA-THIO-TRIPHOSPHATE","C10 H16 N5 O12 P3 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N","InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30+/m1/s1","","2017-12-17","2018-06-01","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate","2018-06-06"],["T9A","(5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one","C23 H21 Br N2 O2 S","c1c(C)cc(C)cc1C3c4cc(C)ccc4NC(CN3C(=O)c2ccc(s2)Br)=O;Cc1ccc2NC(=O)CN([CH](c3cc(C)cc(C)c3)c2c1)C(=O)c4sc(Br)cc4;Cc1ccc2c(c1)C(N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C","InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1","","2020-03-17","2020-04-24","(5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one","2020-04-29"],["8PM","N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide","C17 H27 N5 O3 S2","c1(c2c(c(N(C)C)cc1)nsn2)S(=O)(N(C)CC(NCCCCCC)=O)=O;CCCCCCNC(=O)CN(C)[S](=O)(=O)c1ccc(N(C)C)c2nsnc12;CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C","InChI=1S/C17H27N5O3S2/c1-5-6-7-8-11-18-15(23)12-22(4)27(24,25)14-10-9-13(21(2)3)16-17(14)20-26-19-16/h9-10H,5-8,11-12H2,1-4H3,(H,18,23)","","2017-02-26","2024-09-27","N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide","2017-03-08"],["T9B","(2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide","C13 H17 N O3","COc1ccc(CNC(=O)[CH]2CCCO2)cc1;COc1ccc(cc1)CNC(=O)C2CCCO2","InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1","(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide","2020-12-20","2022-01-07","(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide","2022-01-12"],["8PN","(2S)-but-3-yn-2-amine","C4 H7 N","C[CH](N)C#C;CC(C#C)N","InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3/t4-/m0/s1","2-Aminobutin","2021-10-28","2022-11-18","(2~{S})-but-3-yn-2-amine","2022-11-23"],["T9C","(S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid","C26 H19 N3 O6","Cc1ccc2c(NC(=O)[C]2(c3c[nH]nc3)c4cc(ccc4O)c5ccc(cc5C(O)=O)C(O)=O)c1;Cc1ccc2c(c1)NC(=O)C2(c3cc(ccc3O)c4ccc(cc4C(=O)O)C(=O)O)c5c[nH]nc5","InChI=1S/C26H19N3O6/c1-13-2-6-19-21(8-13)29-25(35)26(19,16-11-27-28-12-16)20-10-14(4-7-22(20)30)17-5-3-15(23(31)32)9-18(17)24(33)34/h2-12,30H,1H3,(H,27,28)(H,29,35)(H,31,32)(H,33,34)/t26-/m1/s1","4-[3-[(3S)-6-methyl-2-oxidanylidene-3-(1H-pyrazol-4-yl)-1H-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid","2023-01-04","2023-09-08","4-[3-[(3~{S})-6-methyl-2-oxidanylidene-3-(1~{H}-pyrazol-4-yl)-1~{H}-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid","2023-09-13"],["8PO","(2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid","C12 H15 N O4 S","C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(O)cc1;CC(CS)C(=O)NC(c1ccc(cc1)O)C(=O)O","InChI=1S/C12H15NO4S/c1-7(6-18)11(15)13-10(12(16)17)8-2-4-9(14)5-3-8/h2-5,7,10,14,18H,6H2,1H3,(H,13,15)(H,16,17)/t7-,10-/m1/s1","(R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid","2017-08-24","2021-03-01","(2~{R})-2-(4-hydroxyphenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid","2018-01-24"],["T9D","5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one","C18 H17 F3 N4 O2","C1(=C(C=NNC1=O)n2cc3c(c2)ccc(c3)OC4CCNCC4)C(F)(F)F;FC(F)(F)C1=C(C=NNC1=O)n2cc3ccc(OC4CCNCC4)cc3c2;c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F","InChI=1S/C18H17F3N4O2/c19-18(20,21)16-15(8-23-24-17(16)26)25-9-11-1-2-14(7-12(11)10-25)27-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H,24,26)","","2020-03-17","2020-10-02","5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one","2020-10-07"],["8PP","2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL","C46 H70 O","Oc1ccccc1C/C=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccccc1O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1ccccc1O)C)C)C)C)C)C)C)C","InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+","","2004-12-06","2011-06-04","2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]phenol",""],["T9E","Selenothreonine","C4 H9 N O2 Se","C[CH]([SeH])[CH](N)C(O)=O;CC(C(C(=O)O)N)[SeH]","InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1","","2018-02-17","2024-09-27","(2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid","2019-02-20"],["8PQ","4-bromanyl-3,5-dimethyl-1~{H}-pyrazole","C5 H7 Br N2","Cc1[nH]nc(C)c1Br;Cc1c(c(n[nH]1)C)Br","InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)","","2017-02-21","2018-03-16","4-bromanyl-3,5-dimethyl-1~{H}-pyrazole","2018-03-21"],["8PR","Paroxetine","C19 H20 F N O3","Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3;Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc4c3;c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)F","InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1","(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine","2011-07-11","2020-06-17","(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine","2012-09-21"],["T9F","4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine","C12 H15 N O","COc1ccc(cc1)C1=CCNCC1;COc1ccc(cc1)C2=CCNCC2;COc1ccc(cc1)C2=CCNCC2","InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3","","2023-08-28","2023-11-24","4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine","2023-11-29"],["8PS","5-OCTYL-2-PHENOXYPHENOL","C20 H26 O2","O(c1ccccc1)c2ccc(cc2O)CCCCCCCC;CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1;CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3","","2005-10-05","2011-06-04","5-octyl-2-phenoxyphenol",""],["T9G","2-[(1R)-1-aminopropyl]phenol","C9 H13 N O","c1cccc(O)c1C(N)CC;CC[CH](N)c1ccccc1O;CCC(c1ccccc1O)N","InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m1/s1","","2020-03-18","2020-05-29","2-[(1R)-1-aminopropyl]phenol","2020-06-03"],["8PT","~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine","C22 H29 N7 O","Cc1cc(ccc1Nc2nc(NC3CCCCC3)c4[nH]cnc4n2)N5CCOCC5;Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5","InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)","","2017-02-21","2017-05-26","~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine","2017-05-31"],["T9H","2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide","C31 H29 F N6 O4 S2","O=S(=O)(N5CCN(c4ccc(C(=O)NC(C(=O)Nc1ccncc1)Cc3c2ccccc2nc3)c(F)c4)CC5)c6sccc6;Fc1cc(ccc1C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)Nc4ccncc4)N5CCN(CC5)[S](=O)(=O)c6sccc6;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6","InChI=1S/C31H29FN6O4S2/c32-26-19-23(37-13-15-38(16-14-37)44(41,42)29-6-3-17-43-29)7-8-25(26)30(39)36-28(31(40)35-22-9-11-33-12-10-22)18-21-20-34-27-5-2-1-4-24(21)27/h1-12,17,19-20,28,34H,13-16,18H2,(H,36,39)(H,33,35,40)/t28-/m1/s1","","2012-10-08","2014-09-05","Nalpha-{2-fluoro-4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]benzoyl}-N-pyridin-4-yl-D-tryptophanamide","2014-04-02"],["8PU","5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide","C15 H13 Br N2 O5 S","COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2O;Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br","InChI=1S/C15H13BrN2O5S/c1-8-10-6-11(12(19)7-14(10)23-17-8)18-24(20,21)15-5-9(16)3-4-13(15)22-2/h3-7,18-19H,1-2H3","","2017-08-24","2018-06-08","5-bromanyl-2-methoxy-~{N}-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide","2018-06-13"],["T9I","N-[(1R)-2,3-dihydro-1H-inden-1-yl]adenosine","C19 H21 N5 O4","OCC1OC(n2cnc3c(NC4CCc5ccccc54)ncnc32)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N[CH]4CCc5ccccc45)ncnc23;c1ccc2c(c1)CCC2Nc3c4c(ncn3)n(cn4)C5C(C(C(O5)CO)O)O","InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t12-,13-,15-,16-,19-/m1/s1","","2022-07-20","2023-01-06","N-[(1R)-2,3-dihydro-1H-inden-1-yl]adenosine","2023-01-11"],["T9J","Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide","C14 H15 Br N2 O3","N(C(Cc1ccc(cc1)O)C(=O)NCC#CBr)C(C)=O;CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC#CBr;CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC#CBr","InChI=1S/C14H15BrN2O3/c1-10(18)17-13(14(20)16-8-2-7-15)9-11-3-5-12(19)6-4-11/h3-6,13,19H,8-9H2,1H3,(H,16,20)(H,17,18)/t13-/m0/s1","","2020-03-18","2020-04-10","Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide","2020-04-15"],["8PV","N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide","C22 H20 N6 O","N(Cc1ccccc1)C(=O)c2cccc(c2)NCc4nc(c3ccncc3)nn4;O=C(NCc1ccccc1)c2cccc(NCc3[nH]c(nn3)c4ccncc4)c2;c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4","InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)","","2017-02-27","2017-07-21","N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide","2017-07-26"],["8PW","(2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide","C23 H25 F6 N3 O5 S","O=S(=O)(c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C)CC3)C4;CC1(CC1)C(=O)N2C[CH](C[CH]2C(=O)NC3(CC3)C=N)[S](=O)(=O)c4ccc(OCC(F)(F)F)cc4C(F)(F)F;CC1(CC1)C(=O)N2CC(CC2C(=O)NC3(CC3)C=N)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F","InChI=1S/C23H25F6N3O5S/c1-20(4-5-20)19(34)32-10-14(9-16(32)18(33)31-21(11-30)6-7-21)38(35,36)17-3-2-13(37-12-22(24,25)26)8-15(17)23(27,28)29/h2-3,8,11,14,16,30H,4-7,9-10,12H2,1H3,(H,31,33)/b30-11+/t14-,16+/m1/s1","","2013-06-03","2024-09-27","(4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide","2014-06-18"],["T9K","methyl 2-(4-cyanophenoxy)ethanoate","C10 H9 N O3","COC(=O)COc1ccc(cc1)C#N;COC(=O)COc1ccc(cc1)C#N","InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3","methyl 2-(4-cyanophenoxy)acetate","2020-12-20","2022-01-07","methyl 2-(4-cyanophenoxy)ethanoate","2022-01-12"],["T9L","(1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium","C5 H12 N2 O4 Ru","Cn1cc[n+](C)c1[Ru](O)(O)(O)O;Cn1cc[n+](c1[Ru](O)(O)(O)O)C","InChI=1S/C5H8N2.4H2O.Ru/c1-6-3-4-7(2)5-6;;;;;/h3-4H,1-2H3;4*1H2;/q+1;;;;;+4/p-4","","2023-01-04","2024-01-05","(1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium","2024-01-10"],["8PX","5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide","C16 H15 Br N2 O5 S","COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC;Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br","InChI=1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3","","2017-08-24","2018-06-08","5-bromanyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide","2018-06-13"],["8PY","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C28 H25 N6 O8 P","CC(=O)N(c1cc2ccc3cccc4ccc(c1)c2c34)c5nc6C(=O)NC(=Nc6n5[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)N;CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5C7CC(C(O7)COP(=O)(O)O)O)N=C(NC6=O)N","InChI=1S/C28H25N6O8P/c1-13(35)33(18-9-16-7-5-14-3-2-4-15-6-8-17(10-18)23(16)22(14)15)28-30-24-25(31-27(29)32-26(24)37)34(28)21-11-19(36)20(42-21)12-41-43(38,39)40/h2-10,19-21,36H,11-12H2,1H3,(H2,38,39,40)(H3,29,31,32,37)/t19-,20+,21+/m0/s1","","2016-04-22","2019-05-07","[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2016-06-01"],["T9M","N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide","C9 H16 N2 O3","N(C(C)=O)C(C(=O)NCC=C)C(C)O;C[CH](O)[CH](NC(C)=O)C(=O)NCC=C;CC(C(C(=O)NCC=C)NC(=O)C)O","InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1","","2020-03-18","2024-09-27","N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide","2020-04-15"],["8PZ","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-phenyl-propanoyl]sulfamate","C19 H23 N7 O7 S","N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccccc4;c1ccc(cc1)C(CC(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C19H23N7O7S/c20-11(10-4-2-1-3-5-10)6-13(27)25-34(30,31)32-7-12-15(28)16(29)19(33-12)26-9-24-14-17(21)22-8-23-18(14)26/h1-5,8-9,11-12,15-16,19,28-29H,6-7,20H2,(H,25,27)(H2,21,22,23)/t11-,12+,15+,16+,19+/m0/s1","","2017-02-22","2017-12-08","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-phenyl-propanoyl]sulfamate","2017-12-13"],["T9N","2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile","C16 H14 N6 O S","N#Cc1c(nc(nc1)Nc2cccc(O)c2)c3sc(nc3C)NC;CNc1sc(c(C)n1)c2nc(Nc3cccc(O)c3)ncc2C#N;Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N","InChI=1S/C16H14N6OS/c1-9-14(24-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(23)6-11/h3-6,8,23H,1-2H3,(H,18,20)(H,19,21,22)","","2012-10-02","2014-09-05","2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile","2013-01-04"],["8Q1","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate","C23 H45 N2 O8 P S","O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O;CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1","S-dodecanoyl-4'-phosphopantetheine","2017-02-28","2024-09-27","S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate","2017-06-21"],["T9O","(5R)-2-butanimidoyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one","C15 H25 N O2 S","CCCC(=N)C1=C(O)C[CH](C[CH](C)SCC)CC1=O;CCCC(=N)C1=C(CC(CC1=O)CC(C)SCC)O","InChI=1S/C15H25NO2S/c1-4-6-12(16)15-13(17)8-11(9-14(15)18)7-10(3)19-5-2/h10-11,16-17H,4-9H2,1-3H3/b16-12+/t10-,11-/m1/s1","","2023-04-20","2023-12-15","(5~{R})-2-butanimidoyl-5-[(2~{R})-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one","2023-12-20"],["8Q2","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate","C22 H25 N7 O8 S","N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccc(OCC#C)cc4;C#CCOc1ccc(cc1)C(CC(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C22H25N7O8S/c1-2-7-35-13-5-3-12(4-6-13)14(23)8-16(30)28-38(33,34)36-9-15-18(31)19(32)22(37-15)29-11-27-17-20(24)25-10-26-21(17)29/h1,3-6,10-11,14-15,18-19,22,31-32H,7-9,23H2,(H,28,30)(H2,24,25,26)/t14-,15+,18+,19+,22+/m0/s1","","2017-02-22","2017-12-08","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate","2017-12-13"],["T9P","N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide","C9 H15 N3 O3","N(C(CC(N)=O)C(NCC=C)=O)C(C)=O;CC(=O)N[CH](CC(N)=O)C(=O)NCC=C;CC(=O)NC(CC(=O)N)C(=O)NCC=C","InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1","","2020-03-18","2024-09-27","N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide","2020-04-15"],["8Q3","5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide","C16 H15 Br N2 O4 S","COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2C;Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C","InChI=1S/C16H15BrN2O4S/c1-9-6-15-12(10(2)18-23-15)8-13(9)19-24(20,21)16-7-11(17)4-5-14(16)22-3/h4-8,19H,1-3H3","","2017-08-24","2018-06-08","5-bromanyl-~{N}-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide","2018-06-13"],["T9Q","N-Benzyl-2-methoxyacetamide","C10 H13 N O2","COCC(=O)NCc1ccccc1;COCC(=O)NCc1ccccc1","InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)","2-methoxy-~{N}-(phenylmethyl)ethanamide","2020-12-20","2022-01-07","2-methoxy-~{N}-(phenylmethyl)ethanamide","2022-01-12"],["T9R","N-[(4-hydroxyphenyl)methyl]adenosine","C17 H19 N5 O5","Oc1ccc(cc1)CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4ccc(O)cc4)ncnc23;c1cc(ccc1CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)O","InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1","","2022-07-20","2023-01-06","N-[(4-hydroxyphenyl)methyl]adenosine","2023-01-11"],["8Q4","2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate","C20 H21 Cl N2 O4","CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(OC(O)=O)c2;CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl","InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24)","","2017-02-28","2017-03-24","2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate","2017-03-29"],["T9S","ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate","C10 H12 N2 O2","c21CN(Cc1cncc2)C(=O)OCC;CCOC(=O)N1Cc2ccncc2C1;CCOC(=O)N1Cc2ccncc2C1","InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3","","2020-03-18","2020-06-05","ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate","2020-06-10"],["8Q5","~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide","C20 H23 N5 O","CC(C)CNc1nccn2c(cnc12)c3ccc(cc3)C(=O)NC4CC4;CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4","InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)","","2017-02-23","2017-05-26","~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide","2017-05-31"],["8Q6","dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate","C20 H21 N O6","CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(C)=O;CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C","InChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3","","2016-12-09","2017-12-15","dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate","2017-12-20"],["T9T","triphenylstannanyl","C18 H15 Sn","c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3;c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3","InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;","","2009-12-14","2011-06-04","triphenyltin",""],["8Q7","9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one","C22 H19 F2 N5 O3 S","N3(Cc1ccc(OC)cc1)c5c(c2ncnn2C3=O)c4CCN(Cc4s5)C(C6C(C6)(F)F)=O;COc1ccc(CN2C(=O)n3ncnc3c4c5CCN(Cc5sc24)C(=O)[CH]6CC6(F)F)cc1;COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)C5CC5(F)F)-c6ncnn6C2=O","InChI=1S/C22H19F2N5O3S/c1-32-13-4-2-12(3-5-13)9-28-20-17(18-25-11-26-29(18)21(28)31)14-6-7-27(10-16(14)33-20)19(30)15-8-22(15,23)24/h2-5,11,15H,6-10H2,1H3/t15-/m0/s1","","2017-02-28","2017-04-21","9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one","2017-04-26"],["T9U","(1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium","C5 H10 N2 O2 Ru","CN1C=CN(C)C1[Ru](O)=O;CN1C=CN(C1[Ru](=O)O)C","InChI=1S/C5H9N2.H2O.O.Ru/c1-6-3-4-7(2)5-6;;;/h3-5H,1-2H3;1H2;;/q;;;+1/p-1","","2023-01-04","2024-01-05","(1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium","2024-01-10"],["8Q8","(2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide","C27 H31 N5 O3","CC(C)(N)[CH](N[CH]1CCc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)C(=O)NO;CC(C)(C(C(=O)NO)NC1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N","InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25-/m1/s1","","2017-02-23","2017-03-24","(2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide","2017-03-29"],["T9V","N-(4-methoxyphenyl)acetamide","C9 H11 N O2","c1cc(ccc1OC)NC(=O)C;COc1ccc(NC(C)=O)cc1;CC(=O)Nc1ccc(cc1)OC","InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)","","2020-03-18","2020-06-05","N-(4-methoxyphenyl)acetamide","2020-06-10"],["8Q9","2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide","C23 H27 Br N4 O7 S","COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2OCC(=O)NCCN4CCOCC4;Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br","InChI=1S/C23H27BrN4O7S/c1-15-17-12-18(27-36(30,31)22-11-16(24)3-4-19(22)32-2)21(13-20(17)35-26-15)34-14-23(29)25-5-6-28-7-9-33-10-8-28/h3-4,11-13,27H,5-10,14H2,1-2H3,(H,25,29)","","2017-08-24","2018-06-08","2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-~{N}-(2-morpholin-4-ylethyl)ethanamide","2018-06-13"],["T9W","2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate","C12 H10 N O5","[O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O;c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-]","InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1","2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid","2020-12-20","2022-01-07","2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate","2022-01-12"],["T9X","5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole","C9 H15 N3 O","CC(C)c1nc(no1)C1NCCC1;CC(C)c1onc(n1)[CH]2CCCN2;CC(C)c1nc(no1)C2CCCN2","InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1","","2023-08-28","2023-11-24","5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole","2023-11-29"],["8QA","(2S)-2-azanyl-6-[(5-oxidanyl-5-oxidanylidene-pentanethioyl)amino]hexanoic acid","C11 H20 N2 O4 S","N[CH](CCCCNC(=S)CCCC(O)=O)C(O)=O;C(CCNC(=S)CCCC(=O)O)CC(C(=O)O)N","InChI=1S/C11H20N2O4S/c12-8(11(16)17)4-1-2-7-13-9(18)5-3-6-10(14)15/h8H,1-7,12H2,(H,13,18)(H,14,15)(H,16,17)/t8-/m0/s1","","2022-03-09","2023-09-01","(2~{S})-2-azanyl-6-[(5-oxidanyl-5-oxidanylidene-pentanethioyl)amino]hexanoic acid","2023-09-06"],["T9Y","ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate","C7 H7 F3 N2 O2","c1c(c(C(F)(F)F)nn1)C(OCC)=O;CCOC(=O)c1cn[nH]c1C(F)(F)F;CCOC(=O)c1cn[nH]c1C(F)(F)F","InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)","","2020-03-18","2020-06-05","ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate","2020-06-10"],["8QB","7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one","C16 H19 N5 O2","O=C1NCCn2cc(cc12)c3ccnc(NC4CCOCC4)n3;c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4","InChI=1S/C16H19N5O2/c22-15-14-9-11(10-21(14)6-5-17-15)13-1-4-18-16(20-13)19-12-2-7-23-8-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,17,22)(H,18,19,20)","","2017-02-24","2017-04-14","7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one","2017-04-19"],["8QC","5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide","C16 H16 Br N3 O4 S","CNc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC;Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br","InChI=1S/C16H16BrN3O4S/c1-9-11-7-13(12(18-2)8-15(11)24-19-9)20-25(21,22)16-6-10(17)4-5-14(16)23-3/h4-8,18,20H,1-3H3","","2017-08-24","2018-06-08","5-bromanyl-2-methoxy-~{N}-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide","2018-06-13"],["T9Z","2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol","C15 H18 N O2","Oc1c(C[NH+]2CCOCC2)ccc3ccccc13;c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3","InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1","","2020-12-20","2022-01-07","2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol","2022-01-12"],["8QD","(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol","C24 H33 N O","c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5;CC12CCC(CC1CCC3C2CCC4(C3CC=C4c5cccnc5)C)O","InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1","","2017-03-01","2018-02-23","(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol","2018-02-28"],["TA0","Tantalum","Ta","[Ta];[Ta];[Ta]","InChI=1S/Ta","","2011-06-08","2013-09-06","tantalum","2013-09-11"],["8QE","4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide","C17 H20 N6 O","CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N;CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N","InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)","","2017-02-24","2017-05-26","4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide","2017-05-31"],["TA1","TAXOL","C47 H51 N O14","O=C(c1ccccc1)NC(c2ccccc2)C(O)C(=O)OC5C(=C4C(OC(=O)C)C(=O)C7(C(C(OC(=O)c3ccccc3)C(O)(C4(C)C)C5)C6(OC(=O)C)C(OC6)CC7O)C)C;CC(=O)O[CH]1C(=O)[C]2(C)[CH](O)C[CH]3OC[C]3(OC(C)=O)[CH]2[CH](OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](O)[CH](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C;CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C","InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1","","2001-07-05","2024-09-27","(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate",""],["8QF","[(2~{S},3~{S},5~{S},6~{S},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-17-[(2~{R})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate","C28 H50 O12 S3","C[CH](CCCC(C)(C)C)[CH]1CC[CH]2[CH]3C[CH](O[S](O)(=O)=O)[CH]4C[CH](O[S](O)(=O)=O)[CH](C[C]4(C)[CH]3CC[C]12C)O[S](O)(=O)=O;CC(CCCC(C)(C)C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C","InChI=1S/C28H50O12S3/c1-17(8-7-12-26(2,3)4)19-9-10-20-18-14-23(38-41(29,30)31)22-15-24(39-42(32,33)34)25(40-43(35,36)37)16-28(22,6)21(18)11-13-27(19,20)5/h17-25H,7-16H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/t17-,18+,19-,20-,21+,22-,23+,24+,25+,27-,28-/m1/s1","","2017-08-25","2018-05-11","[(2~{S},3~{S},5~{S},6~{S},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-17-[(2~{R})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate","2018-05-16"],["TA2","(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL","C9 H11 N O3","OCC(O)C(N)c1ccccc1;N[CH]([CH](O)C(O)=O)c1ccccc1;c1ccc(cc1)C(C(C(=O)O)O)N","InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1","","2006-09-22","2024-09-27","(2R,3S)-3-amino-3-phenylpropane-1,2-diol",""],["8QG","4-(5-chlorothiophen-2-yl)-1H-pyrazole","C7 H5 Cl N2 S","c1nncc1c2ccc(Cl)s2;Clc1sc(cc1)c2c[nH]nc2;c1cc(sc1c2c[nH]nc2)Cl","InChI=1S/C7H5ClN2S/c8-7-2-1-6(11-7)5-3-9-10-4-5/h1-4H,(H,9,10)","","2017-03-01","2017-03-03","4-(5-chlorothiophen-2-yl)-1H-pyrazole","2017-03-08"],["TA3","(4S,5R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYL-1,3-DIAZABICYCLO[2.2.0]HEXAN-2-ONE","C10 H17 N2 O7 P","O=C2N1CC(C1N2C3OC(C(O)C3)COP(=O)(O)O)C;C[CH]1CN2[CH]1N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=O;CC1CN2C1N(C2=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C10H17N2O7P/c1-5-3-11-9(5)12(10(11)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h5-9,13H,2-4H2,1H3,(H2,15,16,17)/t5-,6+,7-,8-,9+/m1/s1","","2006-10-16","2011-06-04","(4S,5R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one",""],["8QH","(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one","C20 H15 Cl2 N O3","Cc1ccc(NC=C2C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1;Cc1ccc(cc1)NC=C2c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O","InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+","","2017-02-25","2018-02-23","(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one","2018-02-28"],["TA4","(S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID","C9 H16 N4 O2","O=C(O)C(n1nnc(c1)CN)CC(C)C;CC(C)C[CH](n1cc(CN)nn1)C(O)=O;CC(C)CC(C(=O)O)n1cc(nn1)CN","InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1","","2004-08-13","2024-09-27","(2S)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid",""],["8QI","({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid","C11 H19 N5 O10 P2","O=P(O)(O)COCC(OCC(O)P(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O;NC1=Nc2n(C[CH](COC[P](O)(O)=O)OC[CH](O)[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(COCP(=O)(O)O)OCC(O)P(=O)(O)O)N=C(NC2=O)N","InChI=1S/C11H19N5O10P2/c12-11-14-9-8(10(18)15-11)13-4-16(9)1-6(2-25-5-27(19,20)21)26-3-7(17)28(22,23)24/h4,6-7,17H,1-3,5H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)/t6-,7-/m0/s1","","2021-09-24","2022-02-25","({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid","2022-03-02"],["TA5","2H-1,2,3-TRIAZOL-4-YLMETHANOL","C3 H5 N3 O","OCc1nnnc1;OCc1cn[nH]n1;c1c(n[nH]n1)CO","InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h1,7H,2H2,(H,4,5,6)","","2007-01-09","2011-06-04","2H-1,2,3-triazol-4-ylmethanol",""],["8QJ","(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium","C9 H16 N3 O3 S","OSc1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1;C[N+](C)(C)[CH](Cc1c[nH]c(SO)n1)C(O)=O;C[N+](C)(C)C(Cc1c[nH]c(n1)SO)C(=O)O","InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1","","2017-03-01","2024-04-25","(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium","2018-03-07"],["TA6","6-O-phosphono-beta-D-tagatofuranose","C6 H13 O9 P","O=P(O)(O)OCC1OC(O)(CO)C(O)C1O;OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O","InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1","6-O-phosphono-beta-D-tagatose; 6-O-phosphono-D-tagatose; 6-O-phosphono-tagatose","2006-03-24","2020-07-17","6-O-phosphono-beta-D-tagatofuranose",""],["8QK","1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol","C20 H13 Cl2 N O4","COc1ccc(cc1)N=Cc2c(O)ccc3c2oc4cc(Cl)c(O)c(Cl)c34;COc1ccc(cc1)N=Cc2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O","InChI=1S/C20H13Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-9,24-25H,1H3/b23-9+","","2017-02-25","2018-02-23","1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol","2018-02-28"],["TA7","4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione","C11 H9 F3 O3","FC(F)(F)C(=O)CC(=O)c1ccc(OC)cc1;COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F;COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F","InChI=1S/C11H9F3O3/c1-17-8-4-2-7(3-5-8)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3","","2011-02-22","2012-08-17","4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione",""],["8QL","(3S,6S,8S,9S,10R,13S,14R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol","C19 H30 O2","C[C]12CCC[CH]1[CH]3C[CH](O)C4=C[CH](O)CC[C]4(C)[CH]3CC2;CC12CCCC1C3CC(C4=CC(CCC4(C3CC2)C)O)O","InChI=1S/C19H30O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h10,12-15,17,20-21H,3-9,11H2,1-2H3/t12-,13-,14+,15-,17-,18-,19+/m0/s1","","2017-08-25","2018-08-24","(3~{S},6~{S},8~{S},9~{S},10~{R},13~{S},14~{R})-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6-diol","2018-08-29"],["TA8","POLYACRYLIC ACID","C12 H18 O8","O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C;C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O;CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1","OCTANE-1,3,5,7-TETRACARBOXYLIC ACID","2011-11-08","2021-03-13","(3S,5S,7S)-octane-1,3,5,7-tetracarboxylic acid",""],["8QM","4-cyclopropylbenzoic acid","C10 H10 O2","C2(c1ccc(C(O)=O)cc1)CC2;OC(=O)c1ccc(cc1)C2CC2;c1cc(ccc1C2CC2)C(=O)O","InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)","","2017-03-01","2018-02-23","4-cyclopropylbenzoic acid","2018-02-28"],["TA9","9-oxo-N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide","C21 H22 N2 O5","O=C3c4ccccc4c2cccc(C(=O)NCC1NC(C(O)C(O)C1O)C)c23;C[CH]1N[CH](CNC(=O)c2cccc3c4ccccc4C(=O)c23)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O","InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)/t10-,15+,17+,19+,20+/m0/s1","","2010-06-30","2011-06-04","9-oxo-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-9H-fluorene-1-carboxamide",""],["8QN","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate","C14 H21 N6 O9 P","C[CH](O)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N)O","InChI=1S/C14H21N6O9P/c1-5(21)7(15)14(24)29-30(25,26)27-2-6-9(22)10(23)13(28-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-7,9-10,13,21-23H,2,15H2,1H3,(H,25,26)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1","","2017-02-27","2017-07-21","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate","2017-07-26"],["TAA","[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]-PHOSPHONIC ACID MONO-[2-(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER","C20 H21 Cl2 F3 N3 O8 P","FC(F)(F)C(=O)Nc1ccc(cc1)CP(=O)(OC(c2ccc(cc2)[N+]([O-])=O)C(NC(O)C(Cl)Cl)CO)O;OC[CH](N[CH](O)C(Cl)Cl)[CH](O[P](O)(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c2ccc(cc2)[N+]([O-])=O;c1cc(ccc1CP(=O)(O)OC(c2ccc(cc2)[N+](=O)[O-])C(CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F","InChI=1S/C20H21Cl2F3N3O8P/c21-17(22)18(30)27-15(9-29)16(12-3-7-14(8-4-12)28(32)33)36-37(34,35)10-11-1-5-13(6-2-11)26-19(31)20(23,24)25/h1-8,15-18,27,29-30H,9-10H2,(H,26,31)(H,34,35)/t15-,16-,18+/m1/s1","","1999-09-02","2011-06-04","(1R,2R)-2-{[(1S)-2,2-dichloro-1-hydroxyethyl]amino}-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen (S)-{4-[(trifluoroacetyl)amino]benzyl}phosphonate",""],["8QO","5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol","C11 H14 N2 O2","COc1ccc(c(O)c1)C2=NC[CH](C)N2;CC1CN=C(N1)c2ccc(cc2O)OC","InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1","","2017-08-25","2018-08-03","5-methoxy-2-[(5~{R})-5-methyl-4,5-dihydro-1~{H}-imidazol-2-yl]phenol","2018-08-08"],["TAB","ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER","C23 H26 Cl N7 O2","Clc3ccc(c1c(nc(nc1CC)N)N)cc3/N=N/N(Cc2ccccc2)CCOC(=O)C;CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=NN(CCOC(C)=O)Cc3ccccc3;CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl","InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+","","1999-10-28","2011-06-04","2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate",""],["8QP","[(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid","C17 H21 N O3","c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3;CCc1cccc2c3CCO[C](CC)(CC(O)=O)c3[nH]c12;CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O","InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1","(S)-Etodolac","2017-03-02","2020-06-17","[(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid","2017-03-15"],["TAC","TETRACYCLINE","C22 H24 N2 O8","O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1CC2C(O)(c4cccc(O)c34)C)C(=O)N;CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)cccc4[C]3(C)O;CC1(c2cccc(c2C(=O)C3=C(C4(C(CC31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O","InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1","","1999-07-08","2011-06-04","(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["TAD","BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE","C20 H27 N7 O13 P2 S","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC5OC(c4nc(cs4)C(=O)N)C(O)C5O;NC(=O)c1csc(n1)[CH]2O[CH](CO[P](O)(=O)C[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c(nc(s1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N","InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name)",""],["8QQ","3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one","C29 H31 F3 N6 O3","Cn1nc2C(=O)N(CC3(O)CCN(CC3)C(=O)C[CH](c4ccccc4)C(F)(F)F)C=Nc2c1c5ccc(CN)cc5;Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)CC(c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN","InChI=1S/C29H31F3N6O3/c1-36-26(21-9-7-19(16-33)8-10-21)24-25(35-36)27(40)38(18-34-24)17-28(41)11-13-37(14-12-28)23(39)15-22(29(30,31)32)20-5-3-2-4-6-20/h2-10,18,22,41H,11-17,33H2,1H3/t22-/m1/s1","","2017-02-27","2017-12-01","3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one","2017-12-06"],["8QR","(3R)-3-aminopyrrolidin-2-one","C4 H8 N2 O","N[CH]1CCNC1=O;C1CNC(=O)C1N","InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1","(3R)-3-azanylpyrrolidin-2-one","2021-10-28","2022-11-04","(3~{R})-3-azanylpyrrolidin-2-one","2022-11-09"],["TAE","N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE","C9 H14 N2 O8 P2","CC1=CN(CC=CC[P](O)(=O)O[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC=CCP(=O)(O)OP(=O)(O)O","InChI=1S/C9H14N2O8P2/c1-7-6-11(9(13)10-8(7)12)4-2-3-5-20(14,15)19-21(16,17)18/h2-3,6H,4-5H2,1H3,(H,14,15)(H,10,12,13)(H2,16,17,18)/b3-2+","","2010-11-08","2011-12-02","[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl]-phosphonooxy-phosphinic acid",""],["8QS","[(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid","C17 H21 N O3","C1COC(CC(O)=O)(CC)c2nc3c(c12)cccc3CC;CCc1cccc2c3CCO[C](CC)(CC(O)=O)c3[nH]c12;CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O","InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1","(R)-Etodolac","2017-03-02","2020-06-17","[(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid","2017-03-15"],["TAF","2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE-5'-PHOSPHATE","C10 H14 F N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2F)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1","","1999-07-08","2011-06-04","1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["8QT","(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol","C19 H27 N7 O","CC[CH](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)[CH](C)O;CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3","InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1","CCT068127","2016-12-05","2020-06-17","(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol","2017-12-20"],["TAG","D-tagatose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1","","2007-08-15","2011-06-04","D-tagatose",""],["8QU","(3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid","C12 H12 N4 O5","OC(=O)[CH]1CCCN(C1)c2ccc(c3nonc23)[N+]([O-])=O;c1cc(c2c(c1N3CCCC(C3)C(=O)O)non2)[N+](=O)[O-]","InChI=1S/C12H12N4O5/c17-12(18)7-2-1-5-15(6-7)8-3-4-9(16(19)20)11-10(8)13-21-14-11/h3-4,7H,1-2,5-6H2,(H,17,18)/t7-/m0/s1","","2021-12-24","2022-12-16","(3~{S})-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid","2022-12-21"],["TAH","2-(benzyloxy)benzohydrazide","C14 H14 N2 O2","NNC(=O)c1ccccc1OCc2ccccc2;c1ccc(cc1)COc2ccccc2C(=O)NN","InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)","2-phenylmethoxybenzohydrazide; 935766","2020-12-20","2022-01-07","2-phenylmethoxybenzohydrazide","2022-01-12"],["8QV","(5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine","C27 H22 N4 O3","C=1COCCC=1c2ncc3Oc5c(C4(c3c2)COC(=N4)N)cc(cc5)c6cncc(c6)C#CC;CC#Cc1cncc(c1)c2ccc3Oc4cnc(cc4[C]5(COC(=N5)N)c3c2)C6=CCOCC6;CC#Cc1cc(cnc1)c2ccc3c(c2)C4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6","InChI=1S/C27H22N4O3/c1-2-3-17-10-20(14-29-13-17)19-4-5-24-21(11-19)27(16-33-26(28)31-27)22-12-23(30-15-25(22)34-24)18-6-8-32-9-7-18/h4-6,10-15H,7-9,16H2,1H3,(H2,28,31)/t27-/m0/s1","","2017-03-02","2017-05-12","(5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine","2017-05-17"],["TAI","N-[3-(4-aminophenyl)propyl]adenosine","C19 H24 N6 O4","Nc1ccc(cc1)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;Nc1ccc(CCCNc2ncnc3n(cnc23)[CH]4O[CH](CO)[CH](O)[CH]4O)cc1;c1cc(ccc1CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)N","InChI=1S/C19H24N6O4/c20-12-5-3-11(4-6-12)2-1-7-21-17-14-18(23-9-22-17)25(10-24-14)19-16(28)15(27)13(8-26)29-19/h3-6,9-10,13,15-16,19,26-28H,1-2,7-8,20H2,(H,21,22,23)/t13-,15-,16-,19-/m1/s1","","2022-07-20","2023-01-06","N-[3-(4-aminophenyl)propyl]adenosine","2023-01-11"],["8QW","(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide","C29 H26 F N5 O4 S","COc1cc(ccc1Nc2nn3cc(ccc3n2)c4ccc(NC(=O)[CH](C)c5ccc(F)cc5)cc4)[S](C)(=O)=O;CC(c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C","InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1","","2017-02-27","2017-05-26","(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide","2017-05-31"],["TAJ","taccalonolide AJ","C34 H46 O14","C[CH]1C[C]2(O)OC(=O)[C](C)(O)[C]2(C)[CH]3[CH](O)[CH]4[CH]5[CH](O)C(=O)[CH]6C[CH]7O[CH]7[CH](OC(C)=O)[C]6(C)[CH]5[CH](OC(C)=O)[CH](OC(C)=O)[C]4(C)[CH]13;CC1CC2(C(C3C1C4(C(C3O)C5C(C(C4OC(=O)C)OC(=O)C)C6(C(CC7C(C6OC(=O)C)O7)C(=O)C5O)C)C)(C(C(=O)O2)(C)O)C)O","InChI=1S/C34H46O14/c1-11-10-34(43)32(7,33(8,42)29(41)48-34)21-18(11)31(6)19(24(21)40)17-20(26(44-12(2)35)28(31)46-14(4)37)30(5)15(22(38)23(17)39)9-16-25(47-16)27(30)45-13(3)36/h11,15-21,23-28,39-40,42-43H,9-10H2,1-8H3/t11-,15-,16+,17+,18+,19-,20-,21+,23-,24-,25+,26+,27+,28+,30+,31-,32+,33-,34+/m1/s1","","2015-12-01","2024-09-27","","2017-01-11"],["8QX","6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one","C23 H26 Br F N4 O2","CC(C)N1CCC[CH](C1)CN2C(=Nc3ccc(Oc4ccc(Br)cc4F)nc3C2=O)C;CC1=Nc2ccc(nc2C(=O)N1CC3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br","InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1","","2017-08-28","2020-08-07","6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one","2020-08-12"],["TAK","6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine","C24 H25 N5 O","O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5;C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5;c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5","InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2","Dorsomorphin","2008-01-21","2021-03-01","6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine",""],["8QY","N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea","C19 H27 N3 O2 S","Oc1ccc(cc1)CC(CNC(=O)NC(C)Cc1ccsc1)N(C)C;C[CH](Cc1cscc1)NC(=O)NC[CH](Cc2ccc(O)cc2)N(C)C;CC(Cc1ccsc1)NC(=O)NCC(Cc2ccc(cc2)O)N(C)C","InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1","","2021-09-27","2022-04-15","N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea","2022-04-20"],["TAL","9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE","C12 H16 N4 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C;C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(C)ncnc23;Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C)O)O)O","InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8-,9+,10+,12+/m0/s1","","2003-04-03","2011-06-04","9-(6-deoxy-alpha-L-talofuranosyl)-6-methyl-9H-purine",""],["TAM","TRIS(HYDROXYETHYL)AMINOMETHANE","C7 H17 N O3","OCCC(N)(CCO)CCO;NC(CCO)(CCO)CCO;C(CO)C(CCO)(CCO)N","InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2","","1999-07-08","2011-06-04","3-amino-3-(2-hydroxyethyl)pentane-1,5-diol",""],["8QZ","~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide","C39 H53 N9 O7","CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC)nc34;CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC","InChI=1S/C39H53N9O7/c1-6-30-36(32(7-2)48(44-30)18-19-54-22-23-55-21-20-51-3)42-38(50)29-12-13-47-33(29)11-8-27-25-40-39(43-37(27)47)41-31-10-9-28(24-34(31)53-5)45-14-16-46(17-15-45)35(49)26-52-4/h9-10,12-13,24-25H,6-8,11,14-23,26H2,1-5H3,(H,42,50)(H,40,41,43)","","2017-02-27","2017-05-26","~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide","2017-05-31"],["TAN","2,2-dimethylpropanenitrile","C5 H9 N","CC(C)(C)C#N;CC(C)(C)C#N","InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3","Trimethylacetonitrile","2009-10-06","2020-06-17","2,2-dimethylpropanenitrile",""],["8R0","(3R)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione","C17 H16 N2 O2","CN1[CH](Cc2ccccc2)C(=O)Nc3ccccc3C1=O;CN1C(C(=O)Nc2ccccc2C1=O)Cc3ccccc3","InChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m1/s1","","2017-08-29","2018-01-19","(3~{R})-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione","2018-01-24"],["8R1","(R)-2-Aminobutanamide","C4 H10 N2 O","CC[CH](N)C(N)=O;CCC(C(=O)N)N","InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1","(2R)-2-azanylbutanamide","2021-10-28","2022-11-04","(2~{R})-2-azanylbutanamide","2022-11-09"],["TAO","TROLEANDOMYCIN","C41 H67 N O15","O=C(OC4C(N(C)C)CC(OC4OC3C(C(OC1OC(C(OC(=O)C)C(OC)C1)C)C(C(=O)OC(C)C(C)C(OC(=O)C)C(C(=O)C2(OC2)CC3C)C)C)C)C)C;CO[CH]1C[CH](O[CH](C)[CH]1OC(C)=O)O[CH]2[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3OC(C)=O)N(C)C)[CH](C)C[C]4(CO4)C(=O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](C)OC(=O)[CH]2C;CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C","InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20-,21+,22-,23-,24-,25-,26+,30+,31+,32+,33+,34-,35+,36+,37-,40+,41-/m1/s1","(3R,5S,6S,7R,8S,11S,12R,13S,14R,15S)-12-[(4-O-ACETYL-2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSYL)OXY]-14-{[2-O-ACETYL-3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-1,9-DIOXASPIRO[2.13]HEXADEC-6-YL ACETATE","2003-03-03","2021-03-13","(3R,5R,6R,7S,8R,11R,12S,13R,14S,15R)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadec-6-yl acetate",""],["8R2","(2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide","C18 H17 N5 O3","O=C(Nc3ccc(Oc1cc2c(cc1)nc(c2C#N)N)cc3)C(N)CO;N[CH](CO)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1;c1cc(ccc1NC(=O)C(CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N","InChI=1S/C18H17N5O3/c19-8-14-13-7-12(5-6-16(13)23-17(14)21)26-11-3-1-10(2-4-11)22-18(25)15(20)9-24/h1-7,15,23-24H,9,20-21H2,(H,22,25)/t15-/m0/s1","","2015-02-27","2015-04-17","N-{4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl}-L-serinamide","2015-04-22"],["TAP","7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE","C21 H28 N7 O16 P3 S","NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N","InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","TATP","1999-07-08","2021-03-01","[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["8R3","3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid","C24 H28 Cl N5 O5","COc1ccc(Cl)cc1C[CH]2CNC(CN(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)=NN(C)C;CN(C)N=C1CN(C(=O)C(CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C24H28ClN5O5/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34)/t17-/m1/s1","","2017-08-29","2017-11-24","3-[2-[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid","2017-11-29"],["TAQ","2,4,6-TRIAMINOQUINAZOLINE","C8 H9 N5","n2c1c(cc(cc1)N)c(nc2N)N;Nc1ccc2nc(N)nc(N)c2c1;c1cc2c(cc1N)c(nc(n2)N)N","InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)","","2004-06-02","2011-06-04","quinazoline-2,4,6-triamine",""],["8R4","2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid","C25 H21 N O3","c1(c(C(O)=O)ccc(c1)c2coc3ncc(cc23)c4ccccc4)C5CCCC5;OC(=O)c1ccc(cc1C2CCCC2)c3coc4ncc(cc34)c5ccccc5;c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O","InChI=1S/C25H21NO3/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28)","","2017-03-03","2017-03-24","2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid","2017-03-29"],["TAR","D(-)-TARTARIC ACID","C4 H6 O6","O=C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)O","InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1","","1999-07-08","2024-09-27","(2S,3S)-2,3-dihydroxybutanedioic acid",""],["8R5","3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid","C17 H15 Cl N2 O4","C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccccn3;CC(c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O","InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1","","2017-02-27","2017-06-16","3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid","2017-06-21"],["TAS","TRIHYDROXYARSENITE(III)","As H3 O3","O[As](O)O;O[As](O)O;O[As](O)O","InChI=1S/AsH3O3/c2-1(3)4/h2-4H","","2001-05-02","2011-06-04","arsenous acid",""],["TAT","ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE","C10 H16 N5 O12 P3 S","O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N","InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30-/m1/s1","","2004-11-06","2012-01-25","5'-O-[(R)-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]adenosine",""],["8R6","(2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid","C22 H25 N5 O9","CC1=C(CC(=O)NCCCC[CH](N(CC(O)=O)CC(O)=O)C(O)=O)C(=O)Oc2cc(ccc12)N=[N+]=[N-];CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O","InChI=1S/C22H25N5O9/c1-12-14-6-5-13(25-26-23)8-17(14)36-22(35)15(12)9-18(28)24-7-3-2-4-16(21(33)34)27(10-19(29)30)11-20(31)32/h5-6,8,16H,2-4,7,9-11H2,1H3,(H,24,28)(H,29,30)(H,31,32)(H,33,34)/t16-/m0/s1","","2017-08-30","2018-01-19","(2~{S})-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid","2018-01-24"],["8R7","2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid","C22 H21 N O3","c2cc(c(C1CCCC1)cc2c3ccnc4cc(OC)ccc34)C(O)=O;COc1ccc2c(c1)nccc2c3ccc(C(O)=O)c(c3)C4CCCC4;COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O","InChI=1S/C22H21NO3/c1-26-16-7-9-18-17(10-11-23-21(18)13-16)15-6-8-19(22(24)25)20(12-15)14-4-2-3-5-14/h6-14H,2-5H2,1H3,(H,24,25)","","2017-03-03","2017-04-21","2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid","2017-04-26"],["TAU","2-AMINOETHANESULFONIC ACID","C2 H7 N O3 S","O=S(=O)(O)CCN;NCC[S](O)(=O)=O;C(CS(=O)(=O)O)N","InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)","","2001-12-05","2024-09-27","2-aminoethanesulfonic acid",""],["8R8","3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid","C17 H15 Cl N2 O5","C[CH](Oc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl)c3ccccn3;CC(c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O","InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1","","2017-02-27","2017-06-16","3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid","2017-06-21"],["TAV","N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID","C32 H26 N2 O10 S2","O=S(=O)(Oc1cc(c(cc1)NS(=O)(=O)c3cc2ccccc2cc3)C(=O)N(C(C(=O)O)CC(=O)O)C)c5cc4ccccc4cc5;CN([CH](CC(O)=O)C(O)=O)C(=O)c1cc(O[S](=O)(=O)c2ccc3ccccc3c2)ccc1N[S](=O)(=O)c4ccc5ccccc5c4;CN(C(CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4","InChI=1S/C32H26N2O10S2/c1-34(29(32(38)39)19-30(35)36)31(37)27-18-24(44-46(42,43)26-14-11-21-7-3-5-9-23(21)17-26)12-15-28(27)33-45(40,41)25-13-10-20-6-2-4-8-22(20)16-25/h2-18,29,33H,19H2,1H3,(H,35,36)(H,38,39)/t29-/m0/s1","(S)-2-{METHYL-[2-(NAPHTHALENE-2-SULFONYLAMINO)-5-(NAPHTHALENE-2-SULFONYLOXY)-BENZOYL]-AMINO}-SUCCINIC ACID","2005-01-21","2020-06-17","N-methyl-N-({2-[(naphthalen-2-ylsulfonyl)amino]-5-[(naphthalen-2-ylsulfonyl)oxy]phenyl}carbonyl)-L-aspartic acid",""],["TAW","Futibatinib","C22 H22 N6 O3","COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O)C=C)c4ncnc(N)c24;COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N","InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m1/s1","TAS-120","2020-10-02","2022-02-02","1-[(3~{R})-3-[4-azanyl-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one","2021-12-22"],["8R9","[[(3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate","C15 H19 N3 O10 S","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)OC1=NOC(=O)Nc2ccccc2;CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)COS(=O)(=O)O)O)O","InChI=1S/C15H19N3O10S/c1-8(19)16-11-13(21)12(20)10(7-26-29(23,24)25)27-14(11)18-28-15(22)17-9-5-3-2-4-6-9/h2-6,10-13,20-21H,7H2,1H3,(H,16,19)(H,17,22)(H,23,24,25)/t10-,11-,12-,13-/m1/s1","","2021-12-24","2022-12-23","[[(3~{R},4~{R},5~{S},6~{R})-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate","2022-12-28"],["8RA","1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one","C11 H15 N3 O","N1(C(C)=O)CCN(CC1)c2ncccc2;CC(=O)N1CCN(CC1)c2ccccn2;CC(=O)N1CCN(CC1)c2ccccn2","InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3","","2017-03-03","2017-03-10","1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one","2017-03-15"],["TAX","(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM","C26 H30 N O","O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C;CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCC[NH+](C)C)cc3;CCC(=C(c1ccccc1)c2ccc(cc2)OCC[NH+](C)C)c3ccccc3","InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+","CIS FORM OF TAMOXIFEN","2000-08-14","2021-03-01","2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium",""],["8RB","3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid","C17 H16 Cl N3 O4","C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccc(C)nn3;Cc1ccc(nn1)C(C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O","InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1","","2017-02-27","2017-06-16","3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid","2017-06-21"],["TAY","2,2-dimethylpropanamide","C5 H11 N O","CC(C)(C)C(N)=O;CC(C)(C)C(=O)N","InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)","Trimethylacetamide","2009-10-07","2021-03-01","2,2-dimethylpropanamide",""],["8RC","6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin\ne-2-carboxamide","C30 H42 N8 O3","CCc1nc(C(N)=O)c(Nc2ccc(cc2)N3CCC(CC3)N4CCN(C)CC4)nc1O[CH]5CCN(C5)C(=O)C=C;CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)OC5CCN(C5)C(=O)C=C","InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1","Naquotinib","2017-08-31","2024-09-27","6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide","2018-07-11"],["TAZ","TAZOBACTAM","C10 H12 N4 O5 S","O=S1(=O)C2CC(=O)N2C(C(=O)O)C1(C)Cn1ccnn1;C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O;CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3","InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1","","2000-11-21","2025-04-30","(1S,2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["8RD","{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1H-pyrazol-3-yl}(morpholin-4-yl)methanone","C26 H30 F N7 O3","c2(cn1c(CNC)nnc1cc2)c3ccc(cc3OCCc4c(nn(c4C)C)C(N5CCOCC5)=O)F;CNCc1nnc2ccc(cn12)c3ccc(F)cc3OCCc4c(C)n(C)nc4C(=O)N5CCOCC5;Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F","InChI=1S/C26H30FN7O3/c1-17-20(25(31-32(17)3)26(35)33-9-12-36-13-10-33)8-11-37-22-14-19(27)5-6-21(22)18-4-7-23-29-30-24(15-28-2)34(23)16-18/h4-7,14,16,28H,8-13,15H2,1-3H3","","2017-03-03","2018-03-02","{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1H-pyrazol-3-yl}(morpholin-4-yl)methanone","2018-03-07"],["TB","TERBIUM(III) ION","Tb","[Tb+3];[Tb+3];[Tb+3]","InChI=1S/Tb/q+3","","1999-07-08","2011-06-04","terbium(3+)",""],["8RE","3,4-dihydroxylysine","C6 H14 N2 O4","NCC[CH](O)[CH](O)[CH](N)C(O)=O;C(CN)C(C(C(C(=O)O)N)O)O","InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5-/m0/s1","","2017-02-28","2024-09-27","(2~{S},3~{R},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid","2018-03-14"],["TB0","tert-butyl isocyanide","C5 H9 N","2-isocyano-2-methylpropane;CC(C)(C)[N+]#[C-];CC(C)(C)[N+]#[C-]","InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3","","2008-07-14","2011-06-04","tert-butyl isocyanide",""],["8RH","BAY 1217389","C27 H24 F5 N5 O3","COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(n3n2)c4ccc(c(C)c4)C(=O)NC5CC5)c(F)c1F;Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC","InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)","","2017-02-28","2017-05-26","4-[6-[2,3-bis(fluoranyl)-4-methoxy-phenoxy]-8-[3,3,3-tris(fluoranyl)propylamino]imidazo[1,2-b]pyridazin-3-yl]-~{N}-cyclopropyl-2-methyl-benzamide","2017-05-31"],["TB1","(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID","C11 H13 N O5","O=C(O)C(N)C(OCc1ccccc1)C(=O)O;N[CH]([CH](OCc1ccccc1)C(O)=O)C(O)=O;c1ccc(cc1)COC(C(C(=O)O)N)C(=O)O","InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1","D,L-THREO-BENZYLOXYASPARTATE","2007-01-15","2020-06-17","(3S)-3-(benzyloxy)-L-aspartic acid",""],["TB2","(4-tert-butylphenyl)acetaldehyde","C12 H16 O","O=CCc1ccc(cc1)C(C)(C)C;CC(C)(C)c1ccc(CC=O)cc1;CC(C)(C)c1ccc(cc1)CC=O","InChI=1S/C12H16O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,9H,8H2,1-3H3","","2011-03-16","2024-09-27","(4-tert-butylphenyl)acetaldehyde",""],["8RI","(2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide","C24 H26 N2 O2","Oc1ccc(CC(CNC(=O)/C=C/c2cccc3ccccc32)N(C)C)cc1;CN(C)[CH](CNC(=O)C=Cc1cccc2ccccc12)Cc3ccc(O)cc3;CN(C)C(Cc1ccc(cc1)O)CNC(=O)C=Cc2cccc3c2cccc3","InChI=1S/C24H26N2O2/c1-26(2)21(16-18-10-13-22(27)14-11-18)17-25-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,21,27H,16-17H2,1-2H3,(H,25,28)/b15-12+/t21-/m0/s1","","2021-09-29","2022-04-15","(2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide","2022-04-20"],["TB3","(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid","C10 H7 Br Cl N O3","Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1;OC(=O)C=CC(=O)Nc1ccc(Br)cc1Cl;c1cc(c(cc1Br)Cl)NC(=O)C=CC(=O)O","InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-","","2023-05-09","2023-06-09","(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid","2023-06-14"],["8RJ","(R)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE","C8 H13 N2 O7 P","P(OCC(CN1C(NC(=O)C(C)=C1)=O)O)(O)(O)=O;CC1=CN(C[CH](O)CO[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(COP(=O)(O)O)O","InChI=1S/C8H13N2O7P/c1-5-2-10(8(13)9-7(5)12)3-6(11)4-17-18(14,15)16/h2,6,11H,3-4H2,1H3,(H,9,12,13)(H2,14,15,16)/t6-/m1/s1","","2017-03-03","2022-06-13","(2R)-2-hydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl dihydrogen phosphate","2017-06-21"],["TB4","Vixotrigine","C18 H19 F N2 O2","NC(=O)[CH]1CC[CH](N1)c2ccc(OCc3ccccc3F)cc2;c1ccc(c(c1)COc2ccc(cc2)C3CCC(N3)C(=O)N)F","InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1","(2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide","2023-04-21","2023-11-01","(2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide","2023-06-14"],["8RK","3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid","C11 H10 Cl N O4","Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl;Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O","InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)","","2017-02-28","2017-06-16","3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid","2017-06-21"],["8RM","N-methylquinoline-3-carboxamide","C11 H10 N2 O","N(C(=O)c2cc1ccccc1nc2)C;CNC(=O)c1cnc2ccccc2c1;CNC(=O)c1cc2ccccc2nc1","InChI=1S/C11H10N2O/c1-12-11(14)9-6-8-4-2-3-5-10(8)13-7-9/h2-7H,1H3,(H,12,14)","","2017-03-03","2017-03-10","N-methylquinoline-3-carboxamide","2017-03-15"],["TB5","4-(4-pyrrol-1-ylphenyl)morpholine","C14 H16 N2 O","C1CN(CCO1)c2ccc(cc2)n3cccc3;c1ccn(c1)c2ccc(cc2)N3CCOCC3","InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2","4-[4-(1H-pyrrol-1-yl)phenyl]morpholine","2020-12-20","2022-01-07","4-(4-pyrrol-1-ylphenyl)morpholine","2022-01-12"],["8RN","7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one","C22 H24 Br N3 O3 S","C[CH](CC(=O)N1CCC(O)(CC1)CN2C=Nc3c(Br)csc3C2=O)c4ccccc4;CC(CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4","InChI=1S/C22H24BrN3O3S/c1-15(16-5-3-2-4-6-16)11-18(27)25-9-7-22(29,8-10-25)13-26-14-24-19-17(23)12-30-20(19)21(26)28/h2-6,12,14-15,29H,7-11,13H2,1H3/t15-/m1/s1","","2017-02-28","2017-12-01","7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one","2017-12-06"],["TB6","[(2R)-2-hydroxypropyl]phosphonic acid","C3 H9 O4 P","O=P(O)(O)CC(O)C;C[CH](O)C[P](O)(O)=O;CC(CP(=O)(O)O)O","InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1","","2011-06-09","2011-07-01","[(2R)-2-hydroxypropyl]phosphonic acid",""],["8RO","[(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","C10 H15 N2 O6 P S","CC1=C2SN2C(=O)N(C1)[CH]3C[CH](O)[CH](COP(O)O)O3;CC1=C2N(S2)C(=O)N(C1)C3CC(C(O3)COP(O)O)O","InChI=1S/C10H15N2O6PS/c1-5-3-11(10(14)12-9(5)20-12)8-2-6(13)7(18-8)4-17-19(15)16/h6-8,13,15-16H,2-4H2,1H3/t6-,7+,8+,12?/m0/s1","","2017-09-01","2017-09-15","[(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite","2017-09-20"],["TB7","TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE","C15 H19 N5 O3","O=C2c3cccnc3N=C(NC1CN(C(=O)OC(C)(C)C)C1)N2;CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3ncccc3C(=O)N2;CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2","InChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)20-7-9(8-20)17-13-18-11-10(12(21)19-13)5-4-6-16-11/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19,21)","","2012-04-17","2014-09-05","tert-butyl 3-[(4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate","2012-11-23"],["8RP","1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one","C13 H17 N O3","N2(C(C)=O)CCc1cc(c(cc1C2)OC)OC;COc1cc2CCN(Cc2cc1OC)C(C)=O;CC(=O)N1CCc2cc(c(cc2C1)OC)OC","InChI=1S/C13H17NO3/c1-9(15)14-5-4-10-6-12(16-2)13(17-3)7-11(10)8-14/h6-7H,4-5,8H2,1-3H3","","2017-03-03","2017-03-10","1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one","2017-03-15"],["TB8","(~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide","C9 H8 Cl N O2","ONC(=O)C=Cc1ccccc1Cl;c1ccc(c(c1)C=CC(=O)NO)Cl","InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+","","2018-06-27","2018-08-10","(~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide","2018-08-15"],["8RQ","~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide","C33 H46 Cl N3 O5 S2","CN=CC(CCCN(CC1CCCCC1)[S](=O)(=O)c2ccc(cc2)[S](=O)(=O)N(Cc3ccc(Cl)cc3)C4CCCC4)=C(C)O;CC(=C(CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)C=NC)O","InChI=1S/C33H46ClN3O5S2/c1-26(38)29(23-35-2)11-8-22-36(24-27-9-4-3-5-10-27)43(39,40)32-18-20-33(21-19-32)44(41,42)37(31-12-6-7-13-31)25-28-14-16-30(34)17-15-28/h14-21,23,27,31,38H,3-13,22,24-25H2,1-2H3/b29-26-,35-23+","","2017-02-28","2024-09-27","~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide","2017-05-10"],["TB9","4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE","C16 H20 Cl N3 S","S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)CC=C(/C)C;C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(C)C)c23;CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C","InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1","","1999-07-08","2011-06-04","(5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione",""],["8RR","2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid","C21 H18 F3 N O3 S Se","Cc1cc(SCc2[se]c(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O;Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C","InChI=1S/C21H18F3NO3SSe/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)","","2017-09-01","2018-07-27","2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid","2018-08-01"],["TBA","TETRABUTYLAMMONIUM ION","C16 H36 N","CCCC[N+](CCCC)(CCCC)CCCC;CCCC[N+](CCCC)(CCCC)CCCC;CCCC[N+](CCCC)(CCCC)CCCC","InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1","","2001-05-24","2011-06-04","N,N,N-tributylbutan-1-aminium",""],["8RS","1-(4-phenylpiperazin-1-yl)ethan-1-one","C12 H16 N2 O","N1(C(C)=O)CCN(CC1)c2ccccc2;CC(=O)N1CCN(CC1)c2ccccc2;CC(=O)N1CCN(CC1)c2ccccc2","InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3","","2017-03-03","2017-03-10","1-(4-phenylpiperazin-1-yl)ethan-1-one","2017-03-15"],["TBB","tert-butylcarbamic acid","C5 H11 N O2","O=C(O)NC(C)(C)C;CC(C)(C)NC(O)=O;CC(C)(C)NC(=O)O","InChI=1S/C5H11NO2/c1-5(2,3)6-4(7)8/h6H,1-3H3,(H,7,8)","","2013-05-09","2014-03-21","tert-butylcarbamic acid","2014-03-26"],["TBC","(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE","C20 H16 O","OC5Cc2c(cc1ccc4c3c1c2ccc3ccc4)CC5;OC1CCc2cc3ccc4cccc5ccc(c2C1)c3c45;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(CC4)O","InChI=1S/C20H16O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-5,7,9-10,16,21H,6,8,11H2","","2002-11-26","2011-06-04","(9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-9-ol",""],["8RT","(2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","C22 H21 F3 N4 O3","Cn1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14;Cn1cc(c2c1cccc2)NC(=O)N3CCCC3C(=O)Nc4cccc(c4)OC(F)(F)F","InChI=1S/C22H21F3N4O3/c1-28-13-17(16-8-2-3-9-18(16)28)27-21(31)29-11-5-10-19(29)20(30)26-14-6-4-7-15(12-14)32-22(23,24)25/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,26,30)(H,27,31)/t19-/m0/s1","","2017-02-28","2018-03-16","(2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","2018-03-21"],["8RU","4-ethylbenzene-1,2-diol","C8 H10 O2","CCc1ccc(O)c(O)c1;CCc1ccc(c(c1)O)O","InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3","","2021-10-28","2022-08-22","4-ethylbenzene-1,2-diol","2022-04-06"],["TBD","2*-DEOXY-THYMIDINE-5*-ALPHA BORANO DIPHOSPHATE (ISOMER RP)","C10 H19 B N2 O10 P2","O=P(O)(O)O[P+](O)(OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O)[BH3-];[BH3-][P+](O)(OC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O)O[P](O)(O)=O;[BH3-][P+](O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O","InChI=1S/C10H19BN2O10P2/c1-5-3-13(10(16)12-9(5)15)8-2-6(14)7(22-8)4-21-24(11,17)23-25(18,19)20/h3,6-8,14,17H,2,4H2,1,11H3,(H,12,15,16)(H2,18,19,20)/t6-,7+,8+,24+/m0/s1","","2000-09-06","2012-01-05","trihydrido{5'-O-[(1R)-1,3,3-trihydroxy-3-oxidodiphosphoxanyl-kappaP~1~]thymidine}boron",""],["8RV","N-(1-benzylpiperidin-4-yl)acetamide","C14 H20 N2 O","N(C(C)=O)C1CCN(CC1)Cc2ccccc2;CC(=O)NC1CCN(CC1)Cc2ccccc2;CC(=O)NC1CCN(CC1)Cc2ccccc2","InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17)","","2017-03-03","2017-03-10","N-(1-benzylpiperidin-4-yl)acetamide","2017-03-15"],["TBE","TAZOBACTAM INTERMEDIATE","C10 H14 N4 O5 S","O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=CC=O;C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O;CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O","InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1","","2004-07-28","2024-09-27","(3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine",""],["8RW","(2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","C22 H20 F3 N5 O4","NC(=O)n1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14;c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCCC3C(=O)Nc4cccc(c4)OC(F)(F)F","InChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-6-3-5-13(11-14)27-19(31)18-9-4-10-29(18)21(33)28-16-12-30(20(26)32)17-8-2-1-7-15(16)17/h1-3,5-8,11-12,18H,4,9-10H2,(H2,26,32)(H,27,31)(H,28,33)/t18-/m0/s1","","2017-02-28","2017-06-23","(2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","2017-06-28"],["TBF","TERT-BUTYL FORMATE","C5 H10 O2","O=COC(C)(C)C;CC(C)(C)OC=O;CC(C)(C)OC=O","InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3","TERTIARY BUTOXY CARBONYL","2003-12-18","2024-09-27","tert-butyl formate",""],["8RX","(3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid","C11 H17 N3 O S","SC(=N)N1CC[CH](C1)C(=O)NCCCC#C;C#CCCCNC(=O)C1CCN(C1)C(=N)S","InChI=1S/C11H17N3OS/c1-2-3-4-6-13-10(15)9-5-7-14(8-9)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)/t9-/m1/s1","","2023-07-14","2024-09-27","(3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid","2024-01-31"],["TBG","3-methyl-L-valine","C6 H13 N O2","O=C(O)C(N)C(C)(C)C;CC(C)(C)[CH](N)C(O)=O;CC(C)(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1","","1999-07-08","2024-09-27","3-methyl-L-valine",""],["8RY","N-methylpyrimidine-2-carboxamide","C6 H7 N3 O","N(C)C(c1ncccn1)=O;CNC(=O)c1ncccn1;CNC(=O)c1ncccn1","InChI=1S/C6H7N3O/c1-7-6(10)5-8-3-2-4-9-5/h2-4H,1H3,(H,7,10)","","2017-03-03","2017-03-10","N-methylpyrimidine-2-carboxamide","2017-03-15"],["TBH","5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID","C31 H47 N3 O9","O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC;CCCCCN[CH](O)[CH](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)N[CH](O)[CH](Cc2ccccc2)N[CH](O)OC(C)(C)C;CCCCCNC(C(Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(C(Cc2ccccc2)NC(O)OC(C)(C)C)O)O","InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1","PNU177836","2001-06-26","2021-03-01","5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid",""],["TBI","TAZOBACTAM TRANS-ENAMINE INTERMEDIATE","C10 H14 N4 O5 S","O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)NC=CC=O;C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O;CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O","InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1","","2003-11-20","2024-09-27","(3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine",""],["8RZ","(1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide","C23 H20 F3 N5 O4","NC(=O)n1cc(NC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(OC(F)(F)F)c4)c5ccccc15;c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C4CC4CC3C(=O)Nc5cccc(c5)OC(F)(F)F","InChI=1S/C23H20F3N5O4/c24-23(25,26)35-14-5-3-4-13(10-14)28-20(32)19-9-12-8-18(12)31(19)22(34)29-16-11-30(21(27)33)17-7-2-1-6-15(16)17/h1-7,10-12,18-19H,8-9H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-,19+/m1/s1","","2017-02-28","2017-06-23","(1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide","2017-06-28"],["TBJ","N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea","C11 H20 N2 O2","C2C(NC(NCC1CCCO1)=O)CCC2;O=C(NC[CH]1CCCO1)NC2CCCC2;C1CCC(C1)NC(=O)NCC2CCCO2","InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1","","2020-03-19","2020-05-29","N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea","2020-06-03"],["8S0","L-glucono-1,5-lactone","C6 H10 O6","OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(=O)O1)O)O)O)O","InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1","(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one","2017-09-07","2020-07-17","(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one","2018-05-23"],["8S1","5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile","C10 H7 Cl N4","n1cc(c(N)n1c2ccccc2Cl)C#N;Nc1n(ncc1C#N)c2ccccc2Cl;c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl","InChI=1S/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2","","2017-03-03","2017-03-10","5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile","2017-03-15"],["TBK","~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide","C32 H42 N6 O5 S","C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnc5ccccn45)cc3;CS(=O)(=O)N1CCCC(C1)NC(=O)C(CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5","InChI=1S/C32H42N6O5S/c1-44(42,43)37-18-7-10-26(22-37)35-31(40)27(17-14-23-8-3-2-4-9-23)36-30(39)25-15-12-24(13-16-25)20-34-32(41)28-21-33-29-11-5-6-19-38(28)29/h5-6,11-13,15-16,19,21,23,26-27H,2-4,7-10,14,17-18,20,22H2,1H3,(H,34,41)(H,35,40)(H,36,39)/t26-,27-/m0/s1","","2020-12-20","2021-02-26","~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide","2021-03-03"],["8S2","(2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","C22 H21 F3 N6 O4","N[CH]1C[CH](N(C1)C(=O)Nc2cn(C(N)=O)c3ccccc23)C(=O)Nc4cccc(OC(F)(F)F)c4;c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CC(CC3C(=O)Nc4cccc(c4)OC(F)(F)F)N","InChI=1S/C22H21F3N6O4/c23-22(24,25)35-14-5-3-4-13(9-14)28-19(32)18-8-12(26)10-31(18)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10,26H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-/m0/s1","","2017-03-01","2017-06-23","(2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","2017-06-28"],["TBL","N-[(4-methoxyphenyl)sulfonyl]-D-alanine","C10 H13 N O5 S","O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C;COc1ccc(cc1)[S](=O)(=O)N[CH](C)C(O)=O;CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)OC","InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1","(R)-2-(4-methoxyphenylsulfonamido)propanoic acid","2008-09-18","2021-03-01","N-[(4-methoxyphenyl)sulfonyl]-D-alanine",""],["8S3","2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid","C18 H14 Cl2 N2 O3","Cc1onc(C)c1c2cc(Cl)c(Nc3ccccc3C(O)=O)c(Cl)c2;Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl","InChI=1S/C18H14Cl2N2O3/c1-9-16(10(2)25-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(23)24/h3-8,21H,1-2H3,(H,23,24)","","2017-09-07","2019-05-24","2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid","2019-05-29"],["TBM","4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMETHYL-THREONINE","C11 H21 N O3","O=C(O)C(N(C)C)C(O)C(C/C=C/C)C;CC=CC[CH](C)[CH](O)[CH](N(C)C)C(O)=O;CC=CCC(C)C(C(C(=O)O)N(C)C)O","InChI=1S/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1","","1999-07-08","2011-12-12","4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(dimethylamino)-L-xylonic acid",""],["8S4","1-[(4-methoxyphenyl)methyl]-1H-tetrazole","C9 H10 N4 O","n2(Cc1ccc(OC)cc1)cnnn2;COc1ccc(Cn2cnnn2)cc1;COc1ccc(cc1)Cn2cnnn2","InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3","","2017-03-03","2017-03-10","1-[(4-methoxyphenyl)methyl]-1H-tetrazole","2017-03-15"],["TBN","'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL","C11 H14 N4 O4","OCC3OC(n2ccc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(ccc12)[CH]3O[CH](CO)[CH](O)[CH]3O;c1cn(c2c1c(ncn2)N)C3C(C(C(O3)CO)O)O","InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1","7-DEAZAADENOSINE","2003-06-23","2020-06-17","7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["8S5","(2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","C22 H19 F4 N5 O4","NC(=O)n1cc(NC(=O)N2C[CH](F)C[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14;c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CC(CC3C(=O)Nc4cccc(c4)OC(F)(F)F)F","InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18+/m1/s1","","2017-03-01","2017-06-23","(2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide","2017-06-28"],["TBO","5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE","C16 H20 Cl N3 S","S=C2Nc1ccc(Cl)c3c1N2CC(N(C3)CC=C(/C)C)C;C[CH]1CN2C(=S)Nc3ccc(Cl)c(CN1CC=C(C)C)c23;CC1CN2c3c(ccc(c3CN1CC=C(C)C)Cl)NC2=S","InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1","TBO 8; TIBO R86183","1999-07-08","2020-06-17","(5S)-8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione",""],["TBP","2,4,6-TRIBROMOPHENOL","C6 H3 Br3 O","Brc1cc(Br)cc(Br)c1O;Oc1c(Br)cc(Br)cc1Br;c1c(cc(c(c1Br)O)Br)Br","InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H","","2000-07-24","2011-06-04","2,4,6-tribromophenol",""],["8S6","(3R)-3-(oxaloamino)butanoic acid","C6 H9 N O5","CC(NC(=O)C(=O)O)CC(=O)O;C[CH](CC(O)=O)NC(=O)C(O)=O;CC(CC(=O)O)NC(=O)C(=O)O","InChI=1S/C6H9NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3H,2H2,1H3,(H,7,10)(H,8,9)(H,11,12)/t3-/m1/s1","","2021-09-29","2022-03-18","(3R)-3-(oxaloamino)butanoic acid","2022-03-23"],["8S7","N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide","C8 H10 N2 O2","N(c1cc(C)no1)C(C2CC2)=O;Cc1cc(NC(=O)C2CC2)on1;Cc1cc(on1)NC(=O)C2CC2","InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11)","","2017-03-03","2017-03-10","N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide","2017-03-15"],["TBQ","(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","C16 H22 Cl N3 O","CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2;CC(C)(C)C(CCc1ccc(cc1)Cl)(Cn2cncn2)O","InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1","(R)-tebuconazole","2015-10-20","2021-03-01","(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","2016-02-10"],["8S8","(3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid","C34 H40 Cl N5 O7","C[CH]1C=C[CH]2CC[CH](N2C(=O)[CH]1NC(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34)C(O)=O;CC1C=CC2CCC(N2C(=O)C1NC(=O)C3CCC4N3C(=O)C5(CCCN5C(=O)C(Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O","InChI=1S/C34H40ClN5O7/c1-19-8-9-22-11-13-27(32(45)46)39(22)31(44)28(19)37-29(42)26-12-10-23-14-16-34(33(47)40(23)26)15-5-17-38(34)30(43)25(36-20(2)41)18-21-6-3-4-7-24(21)35/h3-4,6-9,14,16,19,22-23,25-28H,5,10-13,15,17-18H2,1-2H3,(H,36,41)(H,37,42)(H,45,46)/t19-,22+,23+,25+,26+,27+,28+,34-/m1/s1","","2017-03-02","2017-05-19","(3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid","2017-05-24"],["TBR","HEXATANTALUM DODECABROMIDE","Br12 Ta6","Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10;Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6","InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1","DODECABROMOHEXATANTALUM","1999-11-12","2021-03-01","",""],["TBS","4,5,6,7-TETRABROMOBENZOTRIAZOLE","C6 H Br4 N3","Brc2c1c(nnn1)c(Br)c(Br)c2Br;Brc1c(Br)c(Br)c2nn[nH]c2c1Br;c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2","InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)","TETRABROMO-2-BENZOTRIAZOLE","2001-05-31","2020-06-17","4,5,6,7-tetrabromo-1H-benzotriazole",""],["8S9","3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid","C22 H13 Cl2 N O3","OC(=O)c1cccc(c1)c2oc(c3ccccc3)c(n2)c4ccc(Cl)c(Cl)c4;c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl","InChI=1S/C22H13Cl2NO3/c23-17-10-9-14(12-18(17)24)19-20(13-5-2-1-3-6-13)28-21(25-19)15-7-4-8-16(11-15)22(26)27/h1-12H,(H,26,27)","","2017-01-18","2018-02-23","3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid","2018-02-28"],["8SA","5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine","C9 H10 N2 O S","N(c1noc(C)c1)Cc2cccs2;Cc1onc(NCc2sccc2)c1;Cc1cc(no1)NCc2cccs2","InChI=1S/C9H10N2OS/c1-7-5-9(11-12-7)10-6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,11)","","2017-03-03","2017-03-10","5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine","2017-03-15"],["TBT","8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL","C18 H16 O3","OC4c3c(cc1c(ccc2ccccc12)c3)CC(O)C4O;O[CH]1Cc2cc3c(ccc4ccccc34)cc2[CH](O)[CH]1O;c1ccc2c(c1)ccc3c2cc4c(c3)C(C(C(C4)O)O)O","InChI=1S/C18H16O3/c19-16-9-12-8-14-11(7-15(12)17(20)18(16)21)6-5-10-3-1-2-4-13(10)14/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1","","1999-12-06","2011-06-04","(8S,9S,10S)-8,9,10,11-tetrahydrotetraphene-8,9,10-triol",""],["8SB","(3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S},13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C35 H40 Cl N5 O7","CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CC[CH]3C=C[CH]4CC[CH](N4C(=O)[CH]23)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCC3C2C(=O)N4C(CCC4C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)O)C=C6)C=C3","InChI=1S/C35H40ClN5O7/c1-19(42)37-26(18-22-4-2-3-5-25(22)36)31(43)38-16-14-20-6-8-23-10-12-27(40(23)33(45)29(20)38)32(44)39-17-15-21-7-9-24-11-13-28(35(47)48)41(24)34(46)30(21)39/h2-9,20-21,23-24,26-30H,10-18H2,1H3,(H,37,42)(H,47,48)/t20-,21+,23-,24+,26+,27-,28+,29-,30+/m1/s1","","2017-03-02","2017-05-19","(3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S},13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2017-05-24"],["TBU","TERTIARY-BUTYL ALCOHOL","C4 H10 O","OC(C)(C)C;CC(C)(C)O;CC(C)(C)O","InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","2-METHYL-2-PROPANOL","1999-07-08","2020-06-17","2-methylpropan-2-ol",""],["8SC","3'3'-c-(2'F,2'dA-isonucA)MP","C20 H23 F N10 O10 P2","Nc1ncnc2n(cnc12)[CH]3CO[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]34)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3COC4C3OP(=O)(OCC5C(C(C(O5)n6cnc7c6ncnc7N)F)OP(=O)(OC4)O)O)N","InChI=1S/C20H23FN10O10P2/c21-11-15-10(39-20(11)31-7-29-13-17(23)25-5-27-19(13)31)3-38-42(32,33)40-14-8(1-36-9(14)2-37-43(34,35)41-15)30-6-28-12-16(22)24-4-26-18(12)30/h4-11,14-15,20H,1-3H2,(H,32,33)(H,34,35)(H2,22,24,26)(H2,23,25,27)/t8-,9-,10-,11-,14+,15-,20-/m1/s1","9-[(1R,6R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-9-yl]purin-6-amine","2021-10-29","2022-08-22","9-[(1~{R},6~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-9-yl]purin-6-amine","2022-06-15"],["TBV","3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL\n-2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID","C37 H46 N4 O6","Cc1c(Cc2[nH]c(OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O)=O;Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C37H46N4O6/c1-10-23-22(6)36(47-37(7,8)9)41-30(23)17-28-21(5)26(13-15-34(44)45)32(39-28)18-31-25(12-14-33(42)43)20(4)27(38-31)16-29-19(3)24(11-2)35(46)40-29/h10-11,16,38-39,41H,1-2,12-15,17-18H2,3-9H3,(H,40,46)(H,42,43)(H,44,45)/b29-16-","BILIVERDIN","2009-03-19","2020-06-17","3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["8SD","5-hydroxy-1,3-dihydro-2H-indol-2-one","C8 H7 N O2","N1C(Cc2cc(ccc12)O)=O;Oc1ccc2NC(=O)Cc2c1;c1cc2c(cc1O)CC(=O)N2","InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-3,10H,4H2,(H,9,11)","","2017-03-03","2017-03-10","5-hydroxy-1,3-dihydro-2H-indol-2-one","2017-03-15"],["TBW","3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","C11 H12 N4 O3 S2","O=S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1;N[S](=O)(=O)c1sc(NC(=O)CCc2ccccc2)nn1;c1ccc(cc1)CCC(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1S/C11H12N4O3S2/c12-20(17,18)11-15-14-10(19-11)13-9(16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17,18)(H,13,14,16)","","2022-07-21","2022-12-09","3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","2022-12-14"],["8SE","(3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R},13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C35 H40 Cl N5 O7","CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CC[CH]3C=C[CH]4CC[CH](N4C(=O)[CH]23)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCC3C2C(=O)N4C(CCC4C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)O)C=C6)C=C3","InChI=1S/C35H40ClN5O7/c1-19(42)37-26(18-22-4-2-3-5-25(22)36)31(43)38-16-14-20-6-8-23-10-12-27(40(23)33(45)29(20)38)32(44)39-17-15-21-7-9-24-11-13-28(35(47)48)41(24)34(46)30(21)39/h2-9,20-21,23-24,26-30H,10-18H2,1H3,(H,37,42)(H,47,48)/t20-,21-,23-,24-,26-,27-,28-,29-,30-/m0/s1","","2017-03-02","2017-05-19","(3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R},13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2017-05-24"],["TBX","(3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","C16 H22 Cl N3 O","CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2;CC(C)(C)C(CCc1ccc(cc1)Cl)(Cn2cncn2)O","InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1","(S)-tebuconazole","2015-10-20","2020-06-17","(3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","2016-02-10"],["8SF","1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole","C10 H12 N4 S","CC(C)Sc1nnnn1c2ccccc2;CC(C)Sc1nnnn1c2ccccc2","InChI=1S/C10H12N4S/c1-8(2)15-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3","","2017-09-09","2018-08-31","1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole","2018-09-05"],["TBY","tributylstannanyl","C12 H27 Sn","[Sn](CCCC)(CCCC)CCCC;CCCC[Sn](CCCC)CCCC;CCCC[Sn](CCCC)CCCC","InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;","tributyltin","2008-09-05","2021-03-01","tributylstannane",""],["TBZ","2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE","C32 H29 N8 O","O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)c6nc7c(n6)cc(cc7)N8CCC(C8)[NH3+])C;COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)N8CC[CH]([NH3+])C8;COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)N8CCC(C8)[NH3+]","InChI=1S/C32H28N8O/c1-41-23-7-2-18(3-8-23)30-34-24-9-4-19(14-27(24)37-30)31-35-25-10-5-20(15-28(25)38-31)32-36-26-11-6-22(16-29(26)39-32)40-13-12-21(33)17-40/h2-11,14-16,21H,12-13,17,33H2,1H3,(H,34,37)(H,35,38)(H,36,39)/p+1/t21-/m0/s1","TRIBIZ; TRIS(BENZIMIDAZOLE) DERIVATIVE","1999-07-08","2020-06-17","(3S)-1-[2''-(4-methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]pyrrolidin-3-aminium",""],["8SG","N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide","C9 H8 N2 O3","N(C(=O)c1ccco1)c2cc(C)no2;Cc1cc(NC(=O)c2occc2)on1;Cc1cc(on1)NC(=O)c2ccco2","InChI=1S/C9H8N2O3/c1-6-5-8(14-11-6)10-9(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)","","2017-03-03","2017-03-10","N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide","2017-03-15"],["TC","4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one","C8 H11 N3 O7 P","NC1=NC(=O)N(C=C1)[CH]2OC[CH](O[P](O)(=O)=O)[CH]2O;C1C(C(C(O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O","InChI=1S/C8H11N3O7P/c9-5-1-2-11(8(13)10-5)7-6(12)4(3-17-7)18-19(14,15)16/h1-2,4,6-7,12H,3H2,(H2,9,10,13)(H,14,15,16)/t4-,6+,7+/m0/s1","","2018-10-23","2019-05-30","4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one","2019-06-05"],["8SH","(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol","C15 H25 O3 P S","CCO[P](=O)(OCC)[CH](CS)CCCc1ccccc1;CCOP(=O)(C(CCCc1ccccc1)CS)OCC","InChI=1S/C15H25O3PS/c1-3-17-19(16,18-4-2)15(13-20)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,20H,3-4,8,11-13H2,1-2H3/t15-/m1/s1","","2016-12-09","2017-03-24","(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol","2017-03-29"],["8SJ","(4-nitrophenyl)methyl carbamimidothioate","C8 H9 N3 O2 S","[N+]([O-])(=O)c1ccc(cc1)CSC(=[N@H])N;NC(=N)SCc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1CSC(=N)N)[N+](=O)[O-]","InChI=1S/C8H9N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)","","2017-03-03","2017-03-10","(4-nitrophenyl)methyl carbamimidothioate","2017-03-15"],["TC0","4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL","C25 H24 N4 O2","Oc1ccc(c(O)c1)c5ccc(c2cc(nn2)Nc3ccc(cc3)CNC4CC4)cc5;Oc1ccc(c(O)c1)c2ccc(cc2)c3[nH]nc(Nc4ccc(CNC5CC5)cc4)c3;c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O","InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)","","2012-09-26","2014-09-05","4'-[3-({4-[(cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]biphenyl-2,4-diol","2012-10-12"],["8SK","benzo[a]pyren-3-ol","C20 H12 O","Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35;c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O","InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H","","2017-03-02","2017-06-23","benzo[a]pyren-3-ol","2017-06-28"],["TC1","3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1,3-DIAZA-PHENOTHIAZINE","C15 H16 N3 O7 P S","O=P(O)(O)OCC4OC(N2C(=O)N=C1Nc3c(SC1=C2)cccc3)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3Sc4ccccc4NC3=NC2=O;c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C15H16N3O7PS/c19-9-5-13(25-10(9)7-24-26(21,22)23)18-6-12-14(17-15(18)20)16-8-3-1-2-4-11(8)27-12/h1-4,6,9-10,13,19H,5,7H2,(H,16,17,20)(H2,21,22,23)/t9-,10+,13+/m0/s1","","2004-07-18","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzothiazin-2(10H)-one",""],["8SL","3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole","C21 H25 N3 O S","COc1ccc(CSc2nnc(CC(C)C)n2Cc3ccccc3)cc1;CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC","InChI=1S/C21H25N3OS/c1-16(2)13-20-22-23-21(24(20)14-17-7-5-4-6-8-17)26-15-18-9-11-19(25-3)12-10-18/h4-12,16H,13-15H2,1-3H3","","2017-09-09","2018-08-31","3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole","2018-09-05"],["TC2","N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide","C26 H29 N5 O9","O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c2cccc(O)c2O)N3O;ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)c2cccc(O)c2O)CCNC(=O)c3cccc(O)c3O;c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O","InChI=1S/C26H29N5O9/c32-19-7-1-4-16(22(19)35)24(37)27-10-13-30(14-11-28-25(38)17-5-2-8-20(33)23(17)36)15-12-29-26(39)18-6-3-9-21(34)31(18)40/h1-9,32-33,35-36,40H,10-15H2,(H,27,37)(H,28,38)(H,29,39)","Tren bis-2,3-catecholamido mono-N-hydroxypyridin-2-one-6-amide","2009-06-19","2021-03-13","N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide",""],["8SM","2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine","C13 H12 N4","n2(cc(c1ccccn1)c(n2)n3cccc3)C;Cn1cc(c2ccccn2)c(n1)n3cccc3;Cn1cc(c(n1)n2cccc2)c3ccccn3","InChI=1S/C13H12N4/c1-16-10-11(12-6-2-3-7-14-12)13(15-16)17-8-4-5-9-17/h2-10H,1H3","","2017-03-03","2017-03-10","2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine","2017-03-15"],["TC3","ETHYL HYDROGEN METHYLAMIDOPHOSPHATE","C3 H10 N O3 P","O=P(O)(OCC)NC;CCO[P](O)(=O)NC;CCOP(=O)(NC)O","InChI=1S/C3H10NO3P/c1-3-7-8(5,6)4-2/h3H2,1-2H3,(H2,4,5,6)","","2009-05-11","2024-09-27","ethyl hydrogen methylamidophosphate",""],["8SN","(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C13 H18 N2 O3","C[CH]1C[CH](N2[CH]1C=C[CH]3CCN[CH]3C2=O)C(O)=O;CC1CC(N2C1C=CC3CCNC3C2=O)C(=O)O","InChI=1S/C13H18N2O3/c1-7-6-10(13(17)18)15-9(7)3-2-8-4-5-14-11(8)12(15)16/h2-3,7-11,14H,4-6H2,1H3,(H,17,18)/t7-,8+,9+,10+,11+/m1/s1","","2017-03-03","2024-09-27","(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2018-03-21"],["TC4","BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLCARBAMOYLOXY-PROPYL ESTER GROUP","C17 H35 N2 O6 P","O=P(OCC(OC(=O)NCCCC)COC(=O)NCCCC)CCCC;CCCCNC(=O)OC[CH](CO[PH](=O)CCCC)OC(=O)NCCCC;CCCCNC(=O)OCC(COP(=O)CCCC)OC(=O)NCCCC","InChI=1S/C17H35N2O6P/c1-4-7-10-18-16(20)23-13-15(14-24-26(22)12-9-6-3)25-17(21)19-11-8-5-2/h15,26H,4-14H2,1-3H3,(H,18,20)(H,19,21)/t15-/m1/s1","","1999-07-08","2024-09-27","(2R)-2,3-bis[(butylcarbamoyl)oxy]propyl (S)-butylphosphinate",""],["TC5","ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE","C5 H14 N O3 P","O=P(O)(OCC)NCCC;CCCN[P](O)(=O)OCC;CCCNP(=O)(O)OCC","InChI=1S/C5H14NO3P/c1-3-5-6-10(7,8)9-4-2/h3-5H2,1-2H3,(H2,6,7,8)","","2009-05-12","2024-09-27","ethyl hydrogen propylamidophosphate",""],["8SO","N-[(2R)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide","C21 H30 N2 O4 S2","CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(CCN[S](C)(=O)=O)cc2;CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C","InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1","","2017-09-11","2018-01-12","~{N}-[(2~{R})-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide","2018-01-17"],["8SP","O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine","C22 H42 N O10 P","O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC","InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1","","2013-01-22","2013-02-08","O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine","2013-02-08"],["TC6","(2E)-Hexenoyl-CoA","C27 H40 N7 O17 P3 S","CCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23;CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O","InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b7-6+/t16-,20-,21-,22+,26-/m1/s1","","2011-07-29","2012-08-03","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-hex-2-enoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate",""],["8SQ","3-naphthalen-1-yl-~{N}-oxidanyl-propanamide","C13 H13 N O2","ONC(=O)CCc1cccc2ccccc12;c1ccc2c(c1)cccc2CCC(=O)NO","InChI=1S/C13H13NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,16H,8-9H2,(H,14,15)","","2017-03-03","2018-02-16","3-naphthalen-1-yl-~{N}-oxidanyl-propanamide","2018-02-21"],["TC7","2,4,5-trichlorophenol","C6 H3 Cl3 O","Clc1cc(O)c(Cl)cc1Cl;Oc1cc(Cl)c(Cl)cc1Cl;c1c(c(cc(c1Cl)Cl)Cl)O","InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H","","2007-09-20","2011-06-04","2,4,5-trichlorophenol",""],["8SR","2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C16 H17 F3 N4 O2 S","Cc1cc(nn1CC(=O)Nc2sc3CCCCc3c2C(N)=O)C(F)(F)F;Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F","InChI=1S/C16H17F3N4O2S/c1-8-6-11(16(17,18)19)22-23(8)7-12(24)21-15-13(14(20)25)9-4-2-3-5-10(9)26-15/h6H,2-5,7H2,1H3,(H2,20,25)(H,21,24)","","2017-09-11","2018-01-12","2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","2018-01-17"],["TC8","3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one","C15 H10 F2 N2 O S","Fc3cccc(F)c3N1C(=O)c2c(N=C1SC)cccc2;CSC1=Nc2ccccc2C(=O)N1c3c(F)cccc3F;CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F","InChI=1S/C15H10F2N2OS/c1-21-15-18-12-8-3-2-5-9(12)14(20)19(15)13-10(16)6-4-7-11(13)17/h2-8H,1H3","3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one","2009-02-03","2021-03-13","3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one",""],["8SS","4-(4-bromophenyl)-1H-pyrazol-3-amine","C9 H8 Br N3","n2cc(c1ccc(cc1)Br)c(N)n2;Nc1n[nH]cc1c2ccc(Br)cc2;c1cc(ccc1c2c[nH]nc2N)Br","InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)","","2017-03-03","2017-03-10","4-(4-bromophenyl)-1H-pyrazol-3-amine","2017-03-15"],["TC9","D-TUBOCURARINE","C37 H42 N2 O6","COc1cc2CC[N+](C)(C)[CH]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4;C[NH+]1CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+](C6Cc7ccc(c(c7)O3)O)(C)C)OC","InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1","","2010-11-19","2011-06-04","",""],["TCA","PHENYLETHYLENECARBOXYLIC ACID","C9 H8 O2","O=C(O)C=Cc1ccccc1;OC(=O)C=Cc1ccccc1;c1ccc(cc1)C=CC(=O)O","InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+","","1999-07-08","2025-02-28","(2E)-3-phenylprop-2-enoic acid",""],["8ST","N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide","C19 H16 Cl N3 O","Clc1ccc(cc1)NC(=O)c3c(NCc2ccncc2)cccc3;Clc1ccc(NC(=O)c2ccccc2NCc3ccncc3)cc1;c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3","InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)","","2009-06-01","2011-06-04","N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide",""],["8SU","(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid","C20 H30 O4","CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CC=CCCCC(O)=O;CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O","InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1","PROSTAGLANDIN A2 (PGA2)","2017-09-12","2024-09-27","(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid","2019-03-27"],["TCB","THIOCELLOBIOSE","C12 H22 O10 S","S(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](S[CH]2[CH](CO)O[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1","","2001-04-16","2020-07-17","4-S-beta-D-glucopyranosyl-4-thio-beta-D-glucopyranose",""],["TCC","2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL","C12 H9 Cl2 N O","Clc2cc(Cl)ccc2Nc1ccccc1O;Oc1ccccc1Nc2ccc(Cl)cc2Cl;c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O","InChI=1S/C12H9Cl2NO/c13-8-5-6-10(9(14)7-8)15-11-3-1-2-4-12(11)16/h1-7,15-16H","","2003-01-17","2011-06-04","2-[(2,4-dichlorophenyl)amino]phenol",""],["8SV","1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one","C10 H12 N4 O3","N(c2c(cc1N(C(=O)N(c1c2)C)C)[N+]([O-])=O)C;CNc1cc2N(C)C(=O)N(C)c2cc1[N+]([O-])=O;CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C","InChI=1S/C10H12N4O3/c1-11-6-4-8-9(5-7(6)14(16)17)13(3)10(15)12(8)2/h4-5,11H,1-3H3","","2017-03-03","2017-03-10","1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one","2017-03-15"],["TCD","3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE","C16 H8 Cl4 N2 O2","Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2;Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1;c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl","InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H","","2004-10-27","2011-06-04","2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine)",""],["8SW","~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide","C32 H32 N6 O12","Oc1cccc(C(=O)NCC(=O)NC[CH](NC(=O)c2cccc(O)c2O)C(=O)NC[CH](NC(=O)c3cccc(O)c3O)C(=O)NCC#C)c1O;C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O","InChI=1S/C32H32N6O12/c1-2-12-33-31(49)20(38-30(48)18-8-5-11-23(41)27(18)45)14-35-32(50)19(37-29(47)17-7-4-10-22(40)26(17)44)13-34-24(42)15-36-28(46)16-6-3-9-21(39)25(16)43/h1,3-11,19-20,39-41,43-45H,12-15H2,(H,33,49)(H,34,42)(H,35,50)(H,36,46)(H,37,47)(H,38,48)/t19-,20-/m0/s1","","2017-03-03","2018-03-16","~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide","2018-03-21"],["8SX","preaustinoid A1","C26 H36 O7","COC(=O)[C]12C(=C)[C](C)(C[CH]3[C]4(C)CCC(=O)OC(C)(C)[CH]4CC[C]13C)C(=O)[C](C)(O)C2=O;CC1(C2CCC3(C(C2(CCC(=O)O1)C)CC4(C(=C)C3(C(=O)C(C4=O)(C)O)C(=O)OC)C)C)C","InChI=1S/C26H36O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1","","2017-09-13","2018-01-19","","2018-01-24"],["TCE","3,3',3''-phosphanetriyltripropanoic acid","C9 H15 O6 P","O=C(O)CCP(CCC(=O)O)CCC(=O)O;OC(=O)CCP(CCC(O)=O)CCC(O)=O;C(CP(CCC(=O)O)CCC(=O)O)C(=O)O","InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)","3-[bis(2-carboxyethyl)phosphanyl]propanoic acid","2009-01-12","2021-03-01","3,3',3''-phosphanetriyltripropanoic acid",""],["8SY","6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one","C10 H12 N2 O","N1(C(CCc2cc(ccc12)N)=O)C;CN1C(=O)CCc2cc(N)ccc12;CN1c2ccc(cc2CCC1=O)N","InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3","","2017-03-03","2017-03-10","6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one","2017-03-15"],["TCF","3-(4-BROMOPHENYL)PROPANAMIDE","C9 H10 Br N O","Brc1ccc(cc1)CCC(=O)N;NC(=O)CCc1ccc(Br)cc1;c1cc(ccc1CCC(=O)N)Br","InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)","PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE","2010-03-31","2021-03-01","3-(4-bromophenyl)propanamide",""],["8SZ","(2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide","C6 H15 N3 O2","NCCCC[CH](N)C(=O)NO;C(CCN)CC(C(=O)NO)N","InChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)9-11/h5,11H,1-4,7-8H2,(H,9,10)/t5-/m0/s1","","2017-03-03","2018-02-16","(2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide","2018-02-21"],["TCG","2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety\nlamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","C33 H59 N4 O20","O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4[N+](C)(C)C)[CH](O)[CH]3NC(C)=O)[CH](O)[CH]2NC(C)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O","InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1","TMG-chitotriomycin","2012-06-14","2020-07-17","2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","2013-01-11"],["TCH","TAUROCHOLIC ACID","C26 H45 N O7 S","O=S(=O)(O)CCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C;C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1","","1999-07-08","2011-08-04","2-{[(3beta,5beta,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid",""],["8T0","preaustinoid A2","C26 H34 O7","COC(=O)[C]12C(=C)[C](C)(C[CH]3[C]1(C)CC[CH]4C(C)(C)OC(=O)C=C[C]34C)C(=O)[C](C)(O)C2=O;CC1(C2CCC3(C(C2(C=CC(=O)O1)C)CC4(C(=C)C3(C(=O)C(C4=O)(C)O)C(=O)OC)C)C)C","InChI=1S/C26H34O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h10-11,15-16,31H,1,9,12-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1","","2017-09-13","2018-01-19","","2018-01-24"],["TCI","(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol","C21 H30 O2","CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1;CCCCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O","InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1","Tetrahydrocannabinol","2010-02-23","2021-03-01","(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol",""],["8T1","6-amino-1-methylquinolin-2(1H)-one","C10 H10 N2 O","N1(C)C(=O)C=Cc2c1ccc(c2)N;CN1C(=O)C=Cc2cc(N)ccc12;CN1c2ccc(cc2C=CC1=O)N","InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3","","2017-03-03","2017-03-10","6-amino-1-methylquinolin-2(1H)-one","2017-03-15"],["TCJ","[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate","C13 H18 N3 O7 P","CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)N=C1N;CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)OP(=O)(O)O)O","InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1","","2018-03-12","2019-05-06","[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate","2018-06-06"],["8T2","~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide","C31 H36 N4 O10","Oc1cccc(C(=O)NCCCCNC(=O)[CH](CCCCNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O;c1cc(c(c(c1)O)O)C(=O)NCCCCC(C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O","InChI=1S/C31H36N4O10/c36-22-12-5-8-18(25(22)39)28(42)32-15-2-1-11-21(35-30(44)20-10-7-14-24(38)27(20)41)31(45)34-17-4-3-16-33-29(43)19-9-6-13-23(37)26(19)40/h5-10,12-14,21,36-41H,1-4,11,15-17H2,(H,32,42)(H,33,43)(H,34,45)(H,35,44)/t21-/m0/s1","","2017-03-03","2018-03-16","~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide","2018-03-21"],["8T3","N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox\namide","C19 H18 Cl F N4 O","Clc1ccc(nc1)C(=O)Nc2cc(c(F)cc2)C4(N=C(N)C3CC3C4)C;C[C]1(C[CH]2C[CH]2C(=N1)N)c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F;CC1(CC2CC2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl","InChI=1S/C19H18ClFN4O/c1-19(8-10-6-13(10)17(22)25-19)14-7-12(3-4-15(14)21)24-18(26)16-5-2-11(20)9-23-16/h2-5,7,9-10,13H,6,8H2,1H3,(H2,22,25)(H,24,26)/t10-,13-,19-/m0/s1","N-[3-[(1S,3S,6S)-5-amino-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide","2013-03-18","2020-06-17","N-{3-[(1S,4S,6S)-2-amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide","2013-06-19"],["TCK","N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide","C14 H21 Cl N2 O3 S","O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C;Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)C(=O)CCl;Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl","InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1","Tos-Lys-CH2Cl","1999-07-08","2024-09-27","N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide",""],["TCL","TRICLOSAN","C12 H7 Cl3 O2","Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O;Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl;c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl","InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H","","1999-07-08","2011-06-04","5-chloro-2-(2,4-dichlorophenoxy)phenol",""],["8T4","1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole","C14 H13 N3","Cn3c(n1cccc1)c(c2ccccc2)cn3;Cn1ncc(c2ccccc2)c1n3cccc3;Cn1c(c(cn1)c2ccccc2)n3cccc3","InChI=1S/C14H13N3/c1-16-14(17-9-5-6-10-17)13(11-15-16)12-7-3-2-4-8-12/h2-11H,1H3","","2017-03-03","2017-03-10","1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole","2017-03-15"],["TCM","THIOCAMPHOR","C10 H16 S","S=C1CC2CCC1(C)C2(C)C;CC1(C)[CH]2CC[C]1(C)C(=S)C2;CC1(C2CCC1(C(=S)C2)C)C","InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1","","1999-07-08","2011-06-04","(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione",""],["8T5","(1~{S},4~{S},7~{R},10~{R})-14-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid","C36 H42 Cl N5 O7","CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CCC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O;CC(=O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4C3=O)C(=O)N5CCCC6C5C(=O)N7C(CCC7C(=O)O)C=C6","InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-2-3-8-26(23)37)31(44)40-19-5-16-36(40)17-15-25-11-13-28(42(25)35(36)49)32(45)39-18-4-7-22-9-10-24-12-14-29(34(47)48)41(24)33(46)30(22)39/h2-3,6,8-10,15,17,22,24-25,27-30H,4-5,7,11-14,16,18-20H2,1H3,(H,38,43)(H,47,48)/t22-,24+,25+,27+,28+,29+,30+,36-/m1/s1","","2017-03-06","2017-06-09","(1~{S},4~{S},7~{R},10~{R})-14-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid","2017-06-14"],["8T6","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide","C23 H32 N4 O4","CC(C)(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)C[CH](NC(=O)c1[nH]c2ccccc2c1)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)c2cc3ccccc3[nH]2","InChI=1S/C23H32N4O4/c1-23(2,3)12-19(22(31)25-16(13-28)10-15-8-9-24-20(15)29)27-21(30)18-11-14-6-4-5-7-17(14)26-18/h4-7,11,15-16,19,26,28H,8-10,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,27,30)/t15-,16-,19-/m0/s1","","2021-09-30","2024-09-27","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide","2022-11-09"],["TCN","TETRACYANONICKELATE ION","C4 N4 Ni","N#C[Ni-2](C#N)(C#N)C#N;N#C[Ni--](C#N)(C#N)C#N;C(#N)[Ni-2](C#N)(C#N)C#N","InChI=1S/4CN.Ni/c4*1-2;/q;;;;-2","","1999-07-08","2011-06-04","tetrakis(cyano-kappaC)nickelate(2-)",""],["8T7","1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine","C11 H10 F3 N3","n2(C)nc(C(F)(F)F)c(c1ccccc1)c2N;Cn1nc(c(c1N)c2ccccc2)C(F)(F)F;Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N","InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3","","2017-03-03","2017-03-10","1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine","2017-03-15"],["TCO","TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE","C13 H23 N O3","O=C(OC(C)(C)C)NC(C=O)C1CCCCC1;CC(C)(C)OC(=O)N[CH](C=O)C1CCCCC1;CC(C)(C)OC(=O)NC(C=O)C1CCCCC1","InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1","","2003-08-29","2024-09-27","tert-butyl [(1S)-1-cyclohexyl-2-oxoethyl]carbamate",""],["8T8","(1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine","C20 H18 Br F3 N2 O","FC(F)(F)Oc1ccc2c([nH]c3[CH](CCCc23)NCc4ccc(Br)cc4)c1;c1cc(ccc1CNC2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br","InChI=1S/C20H18BrF3N2O/c21-13-6-4-12(5-7-13)11-25-17-3-1-2-16-15-9-8-14(27-20(22,23)24)10-18(15)26-19(16)17/h4-10,17,25-26H,1-3,11H2/t17-/m0/s1","","2017-03-06","2018-01-05","(1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine","2018-01-10"],["TCP","5'-METHYLTHYMIDINE","C11 H16 N2 O5","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COC;COC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC)O","InChI=1S/C11H16N2O5/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(18-9)5-17-2/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1","","1999-07-08","2011-06-04","5'-O-methylthymidine",""],["8T9","preaustinoid A3","C26 H32 O7","COC(=O)[C]12C(=C)[C](C)(CC3=C(C)[C]4(CC[C]13C)C=CC(=O)OC4(C)C)C(=O)[C](C)(O)C2=O;CC1=C2CC3(C(=C)C(C2(CCC14C=CC(=O)OC4(C)C)C)(C(=O)C(C3=O)(C)O)C(=O)OC)C","InChI=1S/C26H32O7/c1-14-16-13-22(5)15(2)26(20(30)32-8,19(29)24(7,31)18(22)28)23(16,6)11-12-25(14)10-9-17(27)33-21(25,3)4/h9-10,31H,2,11-13H2,1,3-8H3/t22-,23+,24+,25+,26+/m1/s1","","2017-09-13","2018-01-19","methyl (1'~{S},2'~{S},3~{R},9'~{R},11'~{S})-2,2,2',6',9',11'-hexamethyl-13'-methylidene-11'-oxidanyl-6,10',12'-tris(oxidanylidene)spiro[pyran-3,5'-tricyclo[7.3.1.0^{2,7}]tridec-6-ene]-1'-carboxylate","2018-01-24"],["TCQ","(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium","C18 H19 N2 O4","O=C(O)C(N)CC=3C(=O)C=C(O)C(=[NH+]C2CC2c1ccccc1)C=3;N[CH](CC1=CC(=[NH+][CH]2C[CH]2c3ccccc3)C(=CC1=O)O)C(O)=O;c1ccc(cc1)C2CC2[NH+]=C3C=C(C(=O)C=C3O)CC(C(=O)O)N","InChI=1S/C18H18N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,7,9,12-14,22H,6,8,19H2,(H,23,24)/p+1/b20-15+/t12-,13+,14+/m1/s1","","2004-07-27","2024-09-27","(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium",""],["8TA","2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine","C12 H10 N4","n1ccccc1c2cnnc2n3cccc3;[nH]1ncc(c1n2cccc2)c3ccccn3;c1ccnc(c1)c2cn[nH]c2n3cccc3","InChI=1S/C12H10N4/c1-2-6-13-11(5-1)10-9-14-15-12(10)16-7-3-4-8-16/h1-9H,(H,14,15)","","2017-03-03","2017-03-10","2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine","2017-03-15"],["TCR","CYCLOMETHYLTRYPTOPHAN","C12 H12 N2 O2","O=C(O)C3NCc1c(c2c(n1)cccc2)C3;OC(=O)[CH]1Cc2c(CN1)[nH]c3ccccc23;c1ccc2c(c1)c3c([nH]2)CNC(C3)C(=O)O","InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1","","1999-07-08","2011-06-04","(3S)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid",""],["8TB","(3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","C36 H42 Cl N5 O7","C[CH]1C[CH](N2[CH]1C=C[CH]3CCN([CH]3C2=O)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45)C(O)=O;CC1CC(N2C1C=CC3CCN(C3C2=O)C(=O)C4CCC5N4C(=O)C6(CCCN6C(=O)C(Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O","InChI=1S/C36H42ClN5O7/c1-20-18-29(34(47)48)42-27(20)10-8-22-13-17-39(30(22)33(42)46)32(45)28-11-9-24-12-15-36(35(49)41(24)28)14-5-16-40(36)31(44)26(38-21(2)43)19-23-6-3-4-7-25(23)37/h3-4,6-8,10,12,15,20,22,24,26-30H,5,9,11,13-14,16-19H2,1-2H3,(H,38,43)(H,47,48)/t20-,22+,24+,26+,27+,28+,29+,30+,36-/m1/s1","","2017-03-06","2018-03-16","(3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid","2018-03-21"],["TCT","6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL","C16 H11 Cl O3","Clc3cc(O)c(Oc2cc1ccc(O)cc1cc2)cc3;Oc1ccc2cc(Oc3ccc(Cl)cc3O)ccc2c1;c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O","InChI=1S/C16H11ClO3/c17-12-3-6-16(15(19)9-12)20-14-5-2-10-7-13(18)4-1-11(10)8-14/h1-9,18-19H","","2003-01-17","2011-06-04","6-(4-chloro-2-hydroxyphenoxy)naphthalen-2-ol",""],["8TC","berkeleyone A","C26 H38 O6","COC(=O)[C]12C(=C)[C](C)(C[CH]3[C]4(C)CC[CH](O)C(C)(C)[CH]4CC[C]13C)C(=O)[C](C)(O)C2=O;CC1(C2CCC3(C(C2(CCC1O)C)CC4(C(=C)C3(C(=O)C(C4=O)(C)O)C(=O)OC)C)C)C","InChI=1S/C26H38O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-17,27,31H,1,9-13H2,2-8H3/t15-,16+,17-,22-,23-,24+,25+,26+/m1/s1","","2017-09-14","2018-01-19","","2018-01-24"],["TCU","5-HEXYL-2-(2-METHYLPHENOXY)PHENOL","C19 H24 O2","O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC;CCCCCCc1ccc(Oc2ccccc2C)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccccc2C","InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3","2-(O-TOLYLOXY)-5-HEXYLPHENOL","2010-01-10","2021-03-01","5-hexyl-2-(2-methylphenoxy)phenol",""],["8TD","5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one","C9 H11 N3 O","N1(C)C(=O)N(c2cc(N)ccc12)C;CN1C(=O)N(C)c2cc(N)ccc12;CN1c2ccc(cc2N(C1=O)C)N","InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3","","2017-03-03","2017-03-10","5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one","2017-03-15"],["TCV","1,1,2-trichloroethene","C2 H Cl3","Cl[C@H]=C(Cl)Cl;ClC=C(Cl)Cl;C(=C(Cl)Cl)Cl","InChI=1S/C2HCl3/c3-1-2(4)5/h1H","","2014-06-25","2014-10-10","1,1,2-trichloroethene","2014-10-15"],["TCW","Tolcapone","C14 H11 N O5","[O-][N+](=O)c2cc(C(=O)c1ccc(cc1)C)cc(O)c2O;Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O;Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]","InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3","(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone","2011-06-09","2021-03-13","(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone",""],["8TE","p-Methylphosphonatocalix[4]arene","C32 H36 O16 P4","Oc1c2Cc3cc(C[P](O)(O)=O)cc(Cc4cc(C[P](O)(O)=O)cc(Cc5cc(C[P](O)(O)=O)cc(Cc1cc(C[P](O)(O)=O)c2)c5O)c4O)c3O;c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O","InChI=1S/C32H36O16P4/c33-29-21-1-17(13-49(37,38)39)2-22(29)10-24-5-19(15-51(43,44)45)6-27(31(24)35)12-28-8-20(16-52(46,47)48)7-26(32(28)36)11-25-4-18(14-50(40,41)42)3-23(9-21)30(25)34/h1-8,33-36H,9-16H2,(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)","","2017-03-07","2018-03-09","","2018-03-14"],["TCX","ethylphosphoramidic acid","C2 H8 N O3 P","O=P(O)(O)NCC;CCN[P](O)(O)=O;CCNP(=O)(O)O","InChI=1S/C2H8NO3P/c1-2-3-7(4,5)6/h2H2,1H3,(H3,3,4,5,6)","","2009-05-12","2024-09-27","ethylphosphoramidic acid",""],["8TF","2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione","C30 H34 N2 O2","CCN1c2ccccc2C(C)(C)C1=C[CH]3C(=O)[CH](C=C4N(CC)c5ccccc5C4(C)C)C3=O;CCN1c2ccccc2C(C1=CC3C(=O)C(C3=O)C=C4C(c5ccccc5N4CC)(C)C)(C)C","InChI=1S/C30H34N2O2/c1-7-31-23-15-11-9-13-21(23)29(3,4)25(31)17-19-27(33)20(28(19)34)18-26-30(5,6)22-14-10-12-16-24(22)32(26)8-2/h9-20H,7-8H2,1-6H3/b25-17+,26-18+/t19-,20-","Dye with squaraine-scaffold","2021-10-29","2022-08-22","2,4-bis[(~{E})-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione","2022-06-01"],["TCY","(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate","C13 H16 N5 O6 P","O=P(O)(O)OC54CC5CC3(O)C4OC(n1c2ncnc(N)c2nc1)C3;Nc1ncnc2n(cnc12)[CH]3C[C]4(O)C[CH]5C[C]5(O[P](O)(O)=O)[CH]4O3;c1nc(c2c(n1)n(cn2)C3CC4(CC5CC5(C4O3)OP(=O)(O)O)O)N","InChI=1S/C13H16N5O6P/c14-9-8-10(16-4-15-9)18(5-17-8)7-3-12(19)1-6-2-13(6,11(12)23-7)24-25(20,21)22/h4-7,11,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)/t6-,7-,11+,12+,13-/m1/s1","","2007-11-08","2011-06-04","(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",""],["8TG","7-bromo-1-methyl-6-nitroquinolin-2(1H)-one","C10 H7 Br N2 O3","N1(C)C(=O)C=Cc2c1cc(c(c2)[N+]([O-])=O)Br;CN1C(=O)C=Cc2cc(c(Br)cc12)[N+]([O-])=O;CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br","InChI=1S/C10H7BrN2O3/c1-12-8-5-7(11)9(13(15)16)4-6(8)2-3-10(12)14/h2-5H,1H3","","2017-03-03","2017-03-10","7-bromo-1-methyl-6-nitroquinolin-2(1H)-one","2017-03-15"],["TCZ","1,3,5-TRICHLORO-BENZENE","C6 H3 Cl3","Clc1cc(Cl)cc(Cl)c1;Clc1cc(Cl)cc(Cl)c1;c1c(cc(cc1Cl)Cl)Cl","InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H","","2002-01-09","2011-06-04","1,3,5-trichlorobenzene",""],["8TH","chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium","C30 H35 Cl Ir N3 O4 S2","O=S(=O)(c1ccccc1)N2Cc8n([Ir]23456(Cl)C7(C)C3(C)C4(C)C5(CCC)C67C)ccc(c8)c9ccc(S(N)(=O)=O)cc9;CCCC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(cc2)c3ccnc(CN([Ir]Cl)[S](=O)(=O)c4ccccc4)c3;CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C","InChI=1S/C18H16N3O4S2.C12H19.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18;1-6-7-12-10(4)8(2)9(3)11(12)5;;/h1-12H,13H2,(H2,19,22,23);6-7H2,1-5H3;1H;/q-1;;;+2/p-1","","2015-06-11","2015-06-19","chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium","2015-06-24"],["8TJ","N-methylthieno[2,3-b]pyridine-2-carboxamide","C9 H8 N2 O S","N(C(=O)c2cc1c(nccc1)s2)C;CNC(=O)c1sc2ncccc2c1;CNC(=O)c1cc2cccnc2s1","InChI=1S/C9H8N2OS/c1-10-8(12)7-5-6-3-2-4-11-9(6)13-7/h2-5H,1H3,(H,10,12)","","2017-03-03","2017-03-10","N-methylthieno[2,3-b]pyridine-2-carboxamide","2017-03-15"],["TD1","O-[(2S)-2-amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine","C13 H16 N2 O8","O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(N)CO;N[CH](CO)C(=O)OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(COC(=O)C(CO)N)C(=O)O","InChI=1S/C13H16N2O8/c14-7(4-16)13(22)23-5-8(12(20)21)15-11(19)6-2-1-3-9(17)10(6)18/h1-3,7-8,16-18H,4-5,14H2,(H,15,19)(H,20,21)/t7-,8-/m0/s1","","2011-08-05","2011-08-12","O-[(2S)-2-amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine",""],["8TK","4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile","C21 H18 N6 O S","C[CH](Nc1ncnc(N)c1C#N)C2=C(C(=O)N3C(=CSC3=C2)C)c4ccccc4;CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)C(C)Nc4c(c(ncn4)N)C#N","InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1","","2017-03-07","2017-06-16","4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile","2017-06-21"],["TD2","3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside","C28 H30 F2 N6 O8 S","C3(C(C(n1cc(nn1)c2cc(ccc2)F)C(O)C(CO)O3)O)SC4C(C(C(C(O4)CO)O)n6cc(c5cc(F)ccc5)nn6)O;OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH]([CH]1O)n5cc(nn5)c6cccc(F)c6;c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O","InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1","","2015-03-11","2016-04-22","3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside","2016-04-27"],["TD3","2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate","C6 H14 N O7 P","O=P(OCC(=O)N(O)CCCCO)(O)O;OCCCCN(O)C(=O)CO[P](O)(O)=O;C(CCO)CN(C(=O)COP(=O)(O)O)O","InChI=1S/C6H14NO7P/c8-4-2-1-3-7(10)6(9)5-14-15(11,12)13/h8,10H,1-5H2,(H2,11,12,13)","","2010-06-08","2011-06-04","2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate",""],["8TL","propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate","C20 H35 N3 O5 S","CC[CH]1ON([CH]2CN(CCC(C)C)C(=O)[CH](CCSC)N2C1=O)C(=O)OC(C)C;CCC1C(=O)N2C(CN(C(=O)C2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C","InChI=1S/C20H35N3O5S/c1-7-16-19(25)22-15(9-11-29-6)18(24)21(10-8-13(2)3)12-17(22)23(28-16)20(26)27-14(4)5/h13-17H,7-12H2,1-6H3/t15-,16+,17-/m0/s1","","2017-09-14","2017-09-29","propan-2-yl (3~{R},6~{S},9~{a}~{S})-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9~{a}-dihydro-6~{H}-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate","2017-10-04"],["8TM","N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE","C15 H10 F3 N3 S","FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1;c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F","InChI=1S/C15H10F3N3S/c16-15(17,18)22-11-7-5-10(6-8-11)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H,(H,19,20,21)","","2015-03-08","2015-05-08","N-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine","2015-05-13"],["TD4","4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate","C6 H15 N O10 P2","O=P(O)(O)OCC(=O)N(O)CCCCOP(=O)(O)O;ON(CCCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O;C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O","InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)","","2010-06-08","2011-06-04","4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate",""],["TD5","(4~{R})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid","C16 H25 N4 O10 P2 S","Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CCC(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1/t12-/m1/s1","","2015-11-20","2016-10-28","(4~{R})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid","2016-11-02"],["8TN","4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile","C24 H25 N7 O S","C[CH](Nc1ncnc(N)c1C#N)C2=C(C(=O)N3C(=CSC3=C2)C)c4cccc(CN(C)C)c4;CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)C(C)Nc4c(c(ncn4)N)C#N","InChI=1S/C24H25N7OS/c1-14-12-33-20-9-18(15(2)29-23-19(10-25)22(26)27-13-28-23)21(24(32)31(14)20)17-7-5-6-16(8-17)11-30(3)4/h5-9,12-13,15H,11H2,1-4H3,(H3,26,27,28,29)/t15-/m0/s1","","2017-03-07","2017-06-16","4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile","2017-06-21"],["8TO","(4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate","C33 H50 N4 O8","O=C1C(NCCN(C)C)=C2C(=O)C(=C1C)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(NCCN(C)C)C(=O)C(=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O)C;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C33H54N4O8/c1-18-15-23-27(35-13-14-37(6)7)29(39)22(5)26(30(23)40)36-32(41)19(2)11-10-12-24(43-8)31(45-33(34)42)21(4)17-20(3)28(38)25(16-18)44-9/h10-11,18,20,22-28,31,35,38H,2,4,12-17H2,1,3,5-9H3,(H2,34,42)(H,36,41)/b11-10+/t18-,20-,22?,23+,24+,25+,26+,27-,28-,31-/m1/s1","","2012-05-01","2013-03-29","(4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate","2013-04-03"],["TD6","(4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid","C16 H25 N4 O10 P2 S","O=C(O)CCC(O)c1sc(c(n1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CCC(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C16H26N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,20-21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26)/t12-/m0/s1","","2013-02-08","2013-11-08","(4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid","2013-11-13"],["8TP","N-[2-(phenylamino)ethyl]acetamide","C10 H14 N2 O","N(C(C)=O)CCNc1ccccc1;CC(=O)NCCNc1ccccc1;CC(=O)NCCNc1ccccc1","InChI=1S/C10H14N2O/c1-9(13)11-7-8-12-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,11,13)","","2017-03-03","2017-03-10","N-[2-(phenylamino)ethyl]acetamide","2017-03-15"],["TD7","(4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid","C16 H24 N4 O10 P2 S","O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)CCC(=O)O)N(C=1C)Cc2cnc(nc2N)C;Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)SC2=C(O)CCC(O)=O)C)c(N)n1;Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26)/b16-12+","","2010-10-05","2011-06-10","(4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid",""],["TD8","(5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate","C17 H27 N4 O10 P2 S","[O-]C(=O)CCCC(O)c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP([O-])(=O)OP([O-])([O-])=O;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CCCC(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C17H26N4O10P2S/c1-10-14(6-7-30-33(28,29)31-32(25,26)27)34-17(13(22)4-3-5-15(23)24)21(10)9-12-8-19-11(2)20-16(12)18/h8,13,22H,3-7,9H2,1-2H3,(H5-,18,19,20,23,24,25,26,27,28,29)/p-3/t13-/m1/s1","","2013-02-22","2013-11-08","(5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate","2013-11-13"],["8TQ","(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde","C12 H16 N2 O2","O=C[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12;C1CC(N2C1C=CC3CCNC3C2=O)C=O","InChI=1S/C12H16N2O2/c15-7-10-4-3-9-2-1-8-5-6-13-11(8)12(16)14(9)10/h1-2,7-11,13H,3-6H2/t8-,9-,10-,11-/m0/s1","","2017-03-07","2024-09-27","(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde","2018-03-21"],["8TR","hypochlorous acid","Cl H O","OCl;OCl","InChI=1S/ClHO/c1-2/h2H","","2017-09-15","2018-11-23","hypochlorous acid","2018-11-28"],["TD9","(5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate","C17 H27 N4 O10 P2 S","[O-]C(=O)CCCC(O)c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP([O-])(=O)OP([O-])([O-])=O;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CCCC(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C17H26N4O10P2S/c1-10-14(6-7-30-33(28,29)31-32(25,26)27)34-17(13(22)4-3-5-15(23)24)21(10)9-12-8-19-11(2)20-16(12)18/h8,13,22H,3-7,9H2,1-2H3,(H5-,18,19,20,23,24,25,26,27,28,29)/p-3/t13-/m0/s1","","2013-02-22","2013-11-08","(5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate","2013-11-13"],["8TS","6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile","C12 H14 N4 O","N1(CCN(CC1)c2ccc(C#N)cn2)C(C)=O;CC(=O)N1CCN(CC1)c2ccc(cn2)C#N;CC(=O)N1CCN(CC1)c2ccc(cn2)C#N","InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-3-2-11(8-13)9-14-12/h2-3,9H,4-7H2,1H3","","2017-03-03","2017-03-10","6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile","2017-03-15"],["TDA","N-TRIDECANOIC ACID","C13 H26 O2","O=C(O)CCCCCCCCCCCC;CCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCC(=O)O","InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)","","1999-09-01","2025-01-20","tridecanoic acid",""],["TDB","6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL","C9 H13 B N2 O3 S2","O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC;CCC[S](=O)(=O)N1N=Cc2sc(C)cc2B1O;B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O","InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3","Diazaborine","1999-07-08","2021-06-23","6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol",""],["8TU","(6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid","C16 H32 O6","CCC[CH](CC(C)(O)O)[CH](CO)C[CH](O)CCCCC(O)=O;CCCC(CC(C)(O)O)C(CC(CCCCC(=O)O)O)CO","InChI=1S/C16H32O6/c1-3-6-12(10-16(2,21)22)13(11-17)9-14(18)7-4-5-8-15(19)20/h12-14,17-18,21-22H,3-11H2,1-2H3,(H,19,20)/t12-,13+,14+/m0/s1","","2017-09-20","2018-09-14","(6~{R},8~{S},9~{S})-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid","2018-09-19"],["8TV","1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one","C11 H15 N3 O","N1(C(C)=O)CCN(CC1)c2ccncc2;CC(=O)N1CCN(CC1)c2ccncc2;CC(=O)N1CCN(CC1)c2ccncc2","InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11/h2-5H,6-9H2,1H3","","2017-03-03","2017-03-10","1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one","2017-03-15"],["TDC","5A,6-ANHYDROTETRACYCLINE","C22 H22 N2 O7","O=C(N)C3=C(O)C(N(C)C)C4Cc2c(c1cccc(O)c1c(O)c2C(=O)C4(O)C3=O)C;CN(C)[CH]1[CH]2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C]2(O)C(=O)C(=C1O)C(N)=O;Cc1c2cccc(c2c(c3c1CC4C(C(=C(C(=O)C4(C3=O)O)C(=O)N)O)N(C)C)O)O","InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1","","2008-01-02","2011-06-04","(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide",""],["8TW","(1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid","C7 H8 Cl2 O4 S","OC(=O)[CH]1C=[SH][CH]2[CH]1C(O)(O)C2(Cl)Cl;C1=SC2C(C1C(=O)O)C(C2(Cl)Cl)(O)O","InChI=1S/C7H8Cl2O4S/c8-6(9)4-3(7(6,12)13)2(1-14-4)5(10)11/h1-4,12-14H,(H,10,11)/t2-,3-,4+/m1/s1","","2017-03-08","2018-01-12","(1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid","2018-01-17"],["TDD","(2R)-2-amino-3,3-dimethyl-butanoic acid","C6 H13 N O2","O=C(O)C(N)C(C)(C)C;CC(C)(C)[CH](N)C(O)=O;CC(C)(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1","D-tert-leucine","2008-06-02","2024-09-27","3-methyl-D-valine",""],["8TX","8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione","C5 H4 N4 O2 S","O=C1NC(=O)C2=C(N1)NC(=S)N2;C12=C(NC(=O)NC1=O)NC(=S)N2","InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)9-3)8-5(12)6-1/h(H4,6,7,8,9,10,11,12)","","2010-01-21","2011-06-04","8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione",""],["TDE","(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE","C18 H32 N2 O7","O=C1NCC(O)CCC1NC(=O)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C;CO[CH]([CH](O)[CH](O)[CH](O)C=CC(C)(C)C)C(=O)N[CH]1CC[CH](O)CNC1=O;CC(C)(C)C=CC(C(C(C(C(=O)NC1CCC(CNC1=O)O)OC)O)O)O","InChI=1S/C18H32N2O7/c1-18(2,3)8-7-12(22)13(23)14(24)15(27-4)17(26)20-11-6-5-10(21)9-19-16(11)25/h7-8,10-15,21-24H,5-6,9H2,1-4H3,(H,19,25)(H,20,26)/b8-7+/t10-,11+,12-,13+,14-,15-/m1/s1","","2003-09-19","2011-06-04","(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxoazepan-3-yl]-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)",""],["TDF","4-(trifluoromethyl)-D-phenylalanine","C10 H10 F3 N O2","FC(F)(F)c1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(F)(F)F","InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1","","2011-09-15","2024-09-27","4-(trifluoromethyl)-D-phenylalanine",""],["8TY","1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one","C7 H14 N2 O3 S","N1(C(C)=O)CCN(CC1)S(C)(=O)=O;CC(=O)N1CCN(CC1)[S](C)(=O)=O;CC(=O)N1CCN(CC1)S(=O)(=O)C","InChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3","","2017-03-03","2017-03-10","1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one","2017-03-15"],["TDG","THIODIGALACTOSIDE","C12 H22 O10 S","O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO;OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O)O)O)O)O)O","InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1","","1999-07-08","2020-07-17","beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside",""],["8TZ","(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol","C13 H15 F N2 O","CCCc1cc(F)ccc1[CH](O)c2[nH]ccn2;CCCc1cc(ccc1C(c2[nH]ccn2)O)F","InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1","","2017-03-08","2017-04-28","(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol","2017-05-03"],["8U0","N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide","C24 H20 N2 O4 S","CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2;CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3","InChI=1S/C24H20N2O4S/c1-17(27)25-20-9-14-24(15-10-20)31(28,29)26-21-7-12-22(13-8-21)30-23-11-6-18-4-2-3-5-19(18)16-23/h2-16,26H,1H3,(H,25,27)","","2017-09-25","2018-07-20","~{N}-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide","2018-07-25"],["TDH","4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol","C14 H11 N3 O2","n2nn(c1ccc(O)cc1)c(c2)c3ccc(O)cc3;Oc1ccc(cc1)n2nncc2c3ccc(O)cc3;c1cc(ccc1c2cnnn2c3ccc(cc3)O)O","InChI=1S/C14H11N3O2/c18-12-5-1-10(2-6-12)14-9-15-16-17(14)11-3-7-13(19)8-4-11/h1-9,18-19H","","2012-07-20","2012-08-31","4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol","2012-08-31"],["TDI","(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL","C13 H19 N5 O S","S(C)CC3CN(Cc2cnc1c2ncnc1N)CC3O;CSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23;CSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1","(3R,4S)-1-[9-DEAZAADENIN-9-YL)METHYL]-3-HYDROXY-4-(METHYLTHIOMETHYL)PYRROLIDINE","2004-12-13","2021-03-13","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol",""],["8U1","N-[(4-methoxyphenyl)methyl]acetamide","C10 H13 N O2","N(C(C)=O)Cc1ccc(cc1)OC;COc1ccc(CNC(C)=O)cc1;CC(=O)NCc1ccc(cc1)OC","InChI=1S/C10H13NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3-6H,7H2,1-2H3,(H,11,12)","","2017-03-03","2017-03-10","N-[(4-methoxyphenyl)methyl]acetamide","2017-03-15"],["TDJ","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","C22 H13 N2 O6 Ru S","C/%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)N=C(C%12=C)C(=O)O;OC(=O)[CH](NC(=O)CCC(=O)C1([Ru])CCCC1)[CH]2SCC(=C)C(=N2)C(O)=O.C3CCCC3;C=C1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12","InChI=1S/C17H17N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10;1-2-4-5-3-1;/h2-5,14-15H,1,6-8H2,(H,18,21)(H,22,23)(H,24,25);1-5H;/t14-,15+;;/m0../s1","","2020-03-19","2024-09-27","[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium","2020-04-01"],["8U2","2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide","C32 H37 Cl N6 O3","COc1cc(CNC(=O)Cc2cn(CCCC[CH]3C[CH]4C[CH](C3)c5c(N)c6ccc(Cl)cc6nc5C4)nn2)ccc1O;COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3","InChI=1S/C32H37ClN6O3/c1-42-29-14-20(5-8-28(29)40)17-35-30(41)16-24-18-39(38-37-24)9-3-2-4-19-10-21-12-22(11-19)31-27(13-21)36-26-15-23(33)6-7-25(26)32(31)34/h5-8,14-15,18-19,21-22,40H,2-4,9-13,16-17H2,1H3,(H2,34,36)(H,35,41)/t19-,21+,22-/m1/s1","","2017-03-09","2021-10-01","","2021-10-06"],["TDK","3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM","C15 H26 N4 O11 P3 S","O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(P(=O)(OC)O)C;CO[P](O)(=O)[C](C)(O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(O)P(=O)(O)OC)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H25N4O11P3S/c1-9-12(5-6-29-33(26,27)30-32(23,24)25)34-14(15(3,20)31(21,22)28-4)19(9)8-11-7-17-10(2)18-13(11)16/h7,20H,5-6,8H2,1-4H3,(H5-,16,17,18,21,22,23,24,25,26,27)/p+1/t15-/m0/s1","2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE","2005-12-01","2021-03-01","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["8U3","N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide","C7 H7 F2 N O2 S","C[S](=O)(=O)Nc1ccc(F)c(F)c1;CS(=O)(=O)Nc1ccc(c(c1)F)F","InChI=1S/C7H7F2NO2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3","","2017-09-26","2018-07-20","~{N}-[3,4-bis(fluoranyl)phenyl]methanesulfonamide","2018-07-25"],["8U4","N-[(3-chlorophenyl)methyl]acetamide","C9 H10 Cl N O","N(C(C)=O)Cc1cccc(c1)Cl;CC(=O)NCc1cccc(Cl)c1;CC(=O)NCc1cccc(c1)Cl","InChI=1S/C9H10ClNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12)","","2017-03-03","2017-03-10","N-[(3-chlorophenyl)methyl]acetamide","2017-03-15"],["TDL","3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM","C15 H23 N4 O10 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(C(=O)O)C;Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](C)(O)C(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1","2-LACTYLTHIAMIN DIPHOSPHATE","2005-12-01","2021-03-01","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-carboxy-1-hydroxyethyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["8U5","E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide","C35 H46 Cl N3 O3","COc1cc(CNC(=O)CCCCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O;CC1CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C1)C2","InChI=1S/C35H46ClN3O3/c1-23-16-25-18-26(17-23)34-30(19-25)39-29-21-27(36)12-13-28(29)35(34)37-15-9-7-5-3-4-6-8-10-33(41)38-22-24-11-14-31(40)32(20-24)42-2/h11-14,20-21,23,25-26,40H,3-10,15-19,22H2,1-2H3,(H,37,39)(H,38,41)/t23-,25-,26+/m0/s1","","2017-03-09","2021-10-01","","2021-10-06"],["TDM","2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL\nTRIHYDROGEN DIPHOSPHATE","C14 H22 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)C)N(C=1C)Cc2cnc(nc2N)C;CC(O)=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O;Cc1ncc(c(n1)N)CN2C(=C(SC2=C(C)O)CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/b14-9+","2-HYDROXYETHYLTHIAMIN DIPHOSPHATE","2005-12-01","2020-06-17","2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate",""],["8U6","N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide","C25 H19 N3 O4 S","CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)c(c2)C#N;CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3","InChI=1S/C25H19N3O4S/c1-17(29)27-21-7-11-24(12-8-21)33(30,31)28-22-9-13-25(20(14-22)16-26)32-23-10-6-18-4-2-3-5-19(18)15-23/h2-15,28H,1H3,(H,27,29)","","2017-09-26","2018-07-20","~{N}-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide","2018-07-25"],["TDN","2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","C15 H24 N4 O8 P2 S","CCC(O)=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O;CCC(=C1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O","InChI=1S/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,20H,4-6,8H2,1-3H3,(H,24,25)(H2,16,17,18)(H2,21,22,23)/b15-12+","","2016-04-07","2016-09-23","2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","2016-09-28"],["8U7","N-(1-benzylpiperidin-4-yl)-N'-methylurea","C14 H21 N3 O","N(C)C(NC1CCN(CC1)Cc2ccccc2)=O;CNC(=O)NC1CCN(CC1)Cc2ccccc2;CNC(=O)NC1CCN(CC1)Cc2ccccc2","InChI=1S/C14H21N3O/c1-15-14(18)16-13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16,18)","","2017-03-03","2017-03-10","N-(1-benzylpiperidin-4-yl)-N'-methylurea","2017-03-15"],["TDO","DTDP-4-KETO-L-RHAMNOSE","C16 H24 N2 O15 P2","O=C1C(O)C(O)C(OC1C)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)C1=O;CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O","InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1","","2006-07-08","2011-06-04","(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["TDP","THIAMIN DIPHOSPHATE","C12 H18 N4 O7 P2 S","Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)[O-]","InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)","","1999-07-08","2022-02-08","[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["8U8","(2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","C16 H16 O9","CC1=CC(=O)Oc2cc(O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O)=O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)C(=O)O)O)O)O","InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14+,16+/m0/s1","","2017-03-09","2018-07-06","(2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2018-07-11"],["8U9","4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid","C21 H12 Cl F3 N2 O5 S","OC(=O)c1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc(Cl)c(c3)C(F)(F)F)c(c2)C#N;c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl","InChI=1S/C21H12ClF3N2O5S/c22-18-7-4-15(10-17(18)21(23,24)25)32-19-8-3-14(9-13(19)11-26)27-33(30,31)16-5-1-12(2-6-16)20(28)29/h1-10,27H,(H,28,29)","","2017-09-26","2018-07-20","4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid","2018-07-25"],["TDR","THYMINE","C5 H6 N2 O2","O=C1C(=CNC(=O)N1)C;CC1=CNC(=O)NC1=O;CC1=CNC(=O)NC1=O","InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)","","1999-07-08","2024-12-02","5-methylpyrimidine-2,4(1H,3H)-dione",""],["TDS","8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE","C25 H38 O5","O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC;CCCCCCCCCCCCCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1;CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C","InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3","TRIDECYL-STIGMATELLIN","2003-10-02","2021-03-01","8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4H-chromen-4-one",""],["8UA","N-[(pyridin-2-yl)methyl]acetamide","C8 H10 N2 O","N(C(C)=O)Cc1ccccn1;CC(=O)NCc1ccccn1;CC(=O)NCc1ccccn1","InChI=1S/C8H10N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)","","2017-03-03","2017-03-10","N-[(pyridin-2-yl)methyl]acetamide","2017-03-15"],["TDT","1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT","C40 H44 N12 O15 P2 S","NC(=O)C1=CN(C=C[CH]1n2cc3C(=S)N(C=Nc3n2)[CH](C(=O)N4CCCCCC4)c5ccccc5)[CH]6O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]7O[CH]([CH]([O-])[CH]7[O-])n8cnc9c(N)ncnc89)[CH](O)[CH]6O;c1ccc(cc1)C(C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O)([O-])OP(=O)([O-])OCC7C(C(C(O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S","InChI=1S/C40H46N12O15P2S/c41-33-27-36(44-18-43-33)51(19-45-27)39-32(56)30(54)26(66-39)17-64-69(61,62)67-68(59,60)63-16-25-29(53)31(55)38(65-25)49-13-10-24(22(14-49)34(42)57)52-15-23-35(47-52)46-20-50(40(23)70)28(21-8-4-3-5-9-21)37(58)48-11-6-1-2-7-12-48/h3-5,8-10,13-15,18-20,24-26,28-32,38-39,53,55H,1-2,6-7,11-12,16-17H2,(H2,42,57)(H,59,60)(H,61,62)(H2,41,43,44)/q-2/p-2/t24-,25+,26+,28-,29+,30+,31+,32+,38+,39+/m0/s1","","2004-08-09","2012-01-05","[[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-[5-[(1S)-2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-2-yl]-4H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanidyl)oxolan-2-yl]methyl phosphate",""],["8UB","3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one","C14 H10 N2 O S","O=C1Nc2ccccc2N=C1C=Cc3sccc3;c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3","InChI=1S/C14H10N2OS/c17-14-13(8-7-10-4-3-9-18-10)15-11-5-1-2-6-12(11)16-14/h1-9H,(H,16,17)","","2017-03-09","2019-09-04","3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one","2018-05-16"],["8UC","(3~{S})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5'-carbonitrile","C23 H20 F N5 O","Cc1[nH]nc2OC(=C(C#N)[C]3(c4cc(cc(F)c4CC3(C)C)c5ccncc5)c12)N;Cc1c2c(n[nH]1)OC(=C(C23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N","InChI=1S/C23H20FN5O/c1-12-19-21(29-28-12)30-20(26)17(11-25)23(19)16-8-14(13-4-6-27-7-5-13)9-18(24)15(16)10-22(23,2)3/h4-9H,10,26H2,1-3H3,(H,28,29)/t23-/m1/s1","","2017-09-26","2018-06-01","(3~{S})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5'-carbonitrile","2018-06-06"],["TDU","1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea","C15 H18 N4 O S","O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2;O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2;c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2","InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)","1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea","2011-07-07","2020-06-17","1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea",""],["8UD","2-amino-N-methylpyridine-3-carboxamide","C7 H9 N3 O","N(C)C(c1cccnc1N)=O;CNC(=O)c1cccnc1N;CNC(=O)c1cccnc1N","InChI=1S/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)","","2017-03-03","2017-03-10","2-amino-N-methylpyridine-3-carboxamide","2017-03-15"],["TDV","1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one","C27 H30 F N5 O2","Fc5ccc(c1nnn(c1)C4CN(C(=O)CCCc2ccccc2)C(C(=O)N3CCCC3)C4)cc5;Fc1ccc(cc1)c2cn(nn2)[CH]3C[CH](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5;c1ccc(cc1)CCCC(=O)N2CC(CC2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F","InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1","","2012-10-01","2014-09-05","1-[(2S,4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one",""],["8UE"," 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide","C34 H34 Cl N3 O3","COc1cc(CNC(=O)Cc2ccc(CNc3c4ccc(Cl)cc4nc5C[CH]6C[CH](C=C(C)C6)c35)cc2)ccc1O;CC1=CC2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O","InChI=1S/C34H34ClN3O3/c1-20-11-24-13-25(12-20)33-29(14-24)38-28-17-26(35)8-9-27(28)34(33)37-18-22-5-3-21(4-6-22)16-32(40)36-19-23-7-10-30(39)31(15-23)41-2/h3-10,12,15,17,24-25,39H,11,13-14,16,18-19H2,1-2H3,(H,36,40)(H,37,38)/t24-,25+/m0/s1","","2017-03-09","2021-10-01","","2021-10-06"],["TDW","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate","C14 H23 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc(C(O)C)n(c1C)Cc2cnc(nc2N)C;C[CH](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C14H24N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,18-19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/t9-/m0/s1","","2013-02-08","2013-11-08","2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-hydroxyethyl]-4-methyl-1,3lambda~5~-thiazol-5-yl}ethyl trihydrogen diphosphate","2013-11-13"],["TDX","THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE","C15 H24 N2 O15 P2","O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3OC[CH](O)[CH](O)[CH]3O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(CO3)O)O)O)O","InChI=1S/C15H24N2O15P2/c1-6-3-17(15(23)16-13(6)22)10-2-7(18)9(30-10)5-29-33(24,25)32-34(26,27)31-14-12(21)11(20)8(19)4-28-14/h3,7-12,14,18-21H,2,4-5H2,1H3,(H,24,25)(H,26,27)(H,16,22,23)/t7-,8+,9+,10+,11-,12+,14+/m0/s1","","2001-11-23","2011-06-04","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["8UF","2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid","C25 H28 F N5 O3","Cc1[nH]nc2OC(=C(C#N)[C]3(c4cc(cc(F)c4CC3(C)C)N5CCC(CC5)CC(O)=O)c12)N;Cc1c2c(n[nH]1)OC(=C(C23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N","InChI=1S/C25H28FN5O3/c1-13-21-23(30-29-13)34-22(28)18(12-27)25(21)17-9-15(10-19(26)16(17)11-24(25,2)3)31-6-4-14(5-7-31)8-20(32)33/h9-10,14H,4-8,11,28H2,1-3H3,(H,29,30)(H,32,33)/t25-/m1/s1","","2017-09-26","2018-06-01","2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid","2018-06-06"],["TDY","5-(METHYLAMINO)THYMIDINE 5'-(DIHYDROGEN PHOSPHATE)","C11 H20 N3 O8 P","O=C1N(CC(C(=O)N1)(NC)C)C2OC(C(O)C2)COP(=O)(O)O;CN[C]1(C)CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)NC","InChI=1S/C11H20N3O8P/c1-11(12-2)5-14(10(17)13-9(11)16)8-3-6(15)7(22-8)4-21-23(18,19)20/h6-8,12,15H,3-5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,11+/m0/s1","","2009-08-14","2011-06-04","5-(methylamino)thymidine 5'-(dihydrogen phosphate)",""],["8UG","ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","C10 H14 N2 O2","n2cc1c(CCC(C1)C(OCC)=O)n2;CCOC(=O)[CH]1CCc2n[nH]cc2C1;CCOC(=O)C1CCc2c(c[nH]n2)C1","InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1","","2017-03-03","2017-03-10","ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","2017-03-15"],["TDZ","(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE","C24 H27 N O5 S","O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4;Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3ccc(C[CH]4SC(=O)NC4=O)cc3;Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C","InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1","TROGLITAZONE","2007-07-20","2021-03-01","(5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione",""],["8UH","6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide","C31 H36 Cl N3 O3","COc1cc(CNC(=O)CCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O;CC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C2)C1","InChI=1S/C31H36ClN3O3/c1-19-12-21-14-22(13-19)30-26(15-21)35-25-17-23(32)8-9-24(25)31(30)33-11-5-3-4-6-29(37)34-18-20-7-10-27(36)28(16-20)38-2/h7-10,12,16-17,21-22,36H,3-6,11,13-15,18H2,1-2H3,(H,33,35)(H,34,37)/t21-,22+/m0/s1","","2017-03-09","2021-10-01","","2021-10-06"],["8UI","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C24 H34 N4 O5","COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)(C)C)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H34N4O5/c1-24(2,3)12-19(23(32)26-15(13-29)10-14-8-9-25-21(14)30)28-22(31)18-11-16-17(27-18)6-5-7-20(16)33-4/h5-7,11,14-15,19,27,29H,8-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,28,31)/t14-,15-,19-/m0/s1","","2021-09-30","2024-09-27","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2022-11-09"],["TE","TELLURIUM","Te","[Te];[TeH2]","InChI=1S/H2Te/h1H2","","1999-07-08","2011-06-04","hydrogen telluride",""],["TE0","1-(ethanesulfonyl)piperidine-4-carboxylic acid","C8 H15 N O4 S","O=S(=O)(CC)N1CCC(CC1)C(=O)O;CC[S](=O)(=O)N1CCC(CC1)C(O)=O;CCS(=O)(=O)N1CCC(CC1)C(=O)O","InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)","","2023-08-28","2023-11-24","1-(ethanesulfonyl)piperidine-4-carboxylic acid","2023-11-29"],["8UJ","N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide","C11 H20 N2 O3 S","N(CC1CC(=O)N(C1)C2CCCC2)S(C)(=O)=O;C[S](=O)(=O)NC[CH]1CN(C2CCCC2)C(=O)C1;CS(=O)(=O)NCC1CC(=O)N(C1)C2CCCC2","InChI=1S/C11H20N2O3S/c1-17(15,16)12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1","","2017-03-03","2017-03-10","N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide","2017-03-15"],["8UK"," 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide","C32 H38 Cl N3 O3","COc1cc(CNC(=O)CCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O;CC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C2)C1","InChI=1S/C32H38ClN3O3/c1-20-13-22-15-23(14-20)31-27(16-22)36-26-18-24(33)9-10-25(26)32(31)34-12-6-4-3-5-7-30(38)35-19-21-8-11-28(37)29(17-21)39-2/h8-11,13,17-18,22-23,37H,3-7,12,14-16,19H2,1-2H3,(H,34,36)(H,35,38)/t22-,23+/m0/s1","","2017-03-09","2021-10-01","","2021-10-06"],["TE1","(2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid","C15 H20 O5","O=C(O)C=C/c1c(O)cc(OC)c(c1)C(O)CC(C)C;COc1cc(O)c(C=CC(O)=O)cc1[CH](O)CC(C)C;CC(C)CC(c1cc(c(cc1OC)O)C=CC(=O)O)O","InChI=1S/C15H20O5/c1-9(2)6-13(17)11-7-10(4-5-15(18)19)12(16)8-14(11)20-3/h4-5,7-9,13,16-17H,6H2,1-3H3,(H,18,19)/b5-4-/t13-/m0/s1","","2008-11-17","2011-06-04","(2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid",""],["8UL","1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid","C23 H26 F N5 O3","CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)C(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N","InChI=1S/C23H26FN5O3/c1-12(2)23(18(11-25)20(26)32-21-19(23)13(3)27-28-21)15-8-16(24)10-17(9-15)29-6-4-14(5-7-29)22(30)31/h8-10,12,14H,4-7,26H2,1-3H3,(H,27,28)(H,30,31)/t23-/m0/s1","","2017-09-26","2018-09-21","1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid","2018-09-26"],["TE2","3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide","C47 H61 N5 O3 S","O=S(=O)(N)c1ccc(cc1)CCC(=O)NCCCCCCNC=4/C(=CC=C3N(c2ccccc2C3(C)C)C)CCCC=4CC=C6/N(c5ccccc5C6(C)C)C;CN1c2ccccc2C(C)(C)C1=CCC3=C(NCCCCCCNC(=O)CCc4ccc(cc4)[S](N)(=O)=O)C(CCC3)=CC=C5N(C)c6ccccc6C5(C)C;CC1(c2ccccc2N(C1=CCC3=C(C(=CC=C4C(c5ccccc5N4C)(C)C)CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C","InChI=1S/C47H61N5O3S/c1-46(2)38-18-9-11-20-40(38)51(5)42(46)29-25-35-16-15-17-36(26-30-43-47(3,4)39-19-10-12-21-41(39)52(43)6)45(35)50-33-14-8-7-13-32-49-44(53)31-24-34-22-27-37(28-23-34)56(48,54)55/h9-12,18-23,25,27-30,50H,7-8,13-17,24,26,31-33H2,1-6H3,(H,49,53)(H2,48,54,55)/b35-25-,42-29+,43-30-","","2010-07-05","2011-06-17","3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide",""],["TE3","2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide","C10 H16 N4 O3 S2","O=S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1;N[S](=O)(=O)c1sc(NC(=O)CC2CCCCC2)nn1;C1CCC(CC1)CC(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1S/C10H16N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,16,17)(H,12,13,15)","","2022-07-21","2022-12-09","2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide","2022-12-14"],["8UM","5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide","C21 H20 F N3 O4 S2","c3(NS(c2ccc(C1=CNC(=O)C(C1)(C)CC)s2)(=O)=O)cc4c(cc3F)C=CNC4=O;CC[C]1(C)CC(=CNC1=O)c2sc(cc2)[S](=O)(=O)Nc3cc4C(=O)NC=Cc4cc3F;CCC1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C","InChI=1S/C21H20FN3O4S2/c1-3-21(2)10-13(11-24-20(21)27)17-4-5-18(30-17)31(28,29)25-16-9-14-12(8-15(16)22)6-7-23-19(14)26/h4-9,11,25H,3,10H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1","","2017-03-03","2018-01-05","5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide","2018-01-10"],["8UN","2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide","C30 H27 Br N4 O3","C[CH](C1CCCCC1)n2c3ccc(cc3nc2c4cc5OCOc5cc4Br)C(=O)Nc6ccc(cc6)C#N;CC(C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N","InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1","","2017-03-09","2017-04-28","2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide","2017-05-03"],["TE4","Tetracaine","C15 H24 N2 O2","O=C(OCCN(C)C)c1ccc(NCCCC)cc1;CCCCNc1ccc(cc1)C(=O)OCCN(C)C;CCCCNc1ccc(cc1)C(=O)OCCN(C)C","InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3","2-(dimethylamino)ethyl 4-(butylamino)benzoate","2014-02-11","2021-03-01","2-(dimethylamino)ethyl 4-(butylamino)benzoate","2014-11-19"],["8UO","2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid","C24 H28 F N5 O3","CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)CC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N","InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)/t24-/m0/s1","","2017-09-26","2018-06-01","2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid","2018-06-06"],["TE5","4-methoxy-6-phenyl-pyrimidin-2-amine","C11 H11 N3 O","COc1cc(nc(N)n1)c2ccccc2;COc1cc(nc(n1)N)c2ccccc2","InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)","4-methoxy-6-phenylpyrimidin-2-ylamine; 4-methoxy-6-phenylpyrimidin-2-amine","2020-12-21","2022-01-07","4-methoxy-6-phenyl-pyrimidin-2-amine","2022-01-12"],["8UP","8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide","C15 H17 Br N2 O2","BrCCCOc1c2c(ccc1OC)ccc(c2)C(=[N@H])N;COc1ccc2ccc(cc2c1OCCCBr)C(N)=N;COc1ccc2ccc(cc2c1OCCCBr)C(=N)N","InChI=1S/C15H17BrN2O2/c1-19-13-6-5-10-3-4-11(15(17)18)9-12(10)14(13)20-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H3,17,18)","","2012-07-01","2012-08-17","8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide",""],["TE6","Orthotelluric acid","H6 O6 Te","O[Te](O)(O)(O)(O)O;O[Te](O)(O)(O)(O)O","InChI=1S/H6O6Te/c1-7(2,3,4,5)6/h1-6H","","2010-02-25","2011-06-04","",""],["8UQ","8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide","C33 H42 Cl N3 O3","COc1cc(CNC(=O)CCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O;CC1CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C1)C2","InChI=1S/C33H42ClN3O3/c1-21-14-23-16-24(15-21)32-28(17-23)37-27-19-25(34)10-11-26(27)33(32)35-13-7-5-3-4-6-8-31(39)36-20-22-9-12-29(38)30(18-22)40-2/h9-12,18-19,21,23-24,38H,3-8,13-17,20H2,1-2H3,(H,35,37)(H,36,39)/t21-,23-,24+/m0/s1","","2017-03-09","2021-10-01","","2021-10-06"],["TE7","5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one","C19 H20 N4 O2","O=C2c1c(ccc(OC)c1)n3c4c2c(NCCN(C)C)ccc4nc3;COc1ccc2n3cnc4ccc(NCCN(C)C)c(C(=O)c2c1)c34;CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC","InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3","","2011-08-15","2011-09-16","5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one",""],["8UR","2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid","C25 H28 F3 N5 O3","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)N3CCC(CC3)CC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N","InChI=1S/C25H28F3N5O3/c1-13(2)24(19(12-29)22(30)36-23-21(24)14(3)31-32-23)16-9-17(25(26,27)28)11-18(10-16)33-6-4-15(5-7-33)8-20(34)35/h9-11,13,15H,4-8,30H2,1-3H3,(H,31,32)(H,34,35)/t24-/m0/s1","","2017-09-26","2018-09-21","2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid","2018-09-26"],["TE8","(2~{R})-2-(4-phenylphenoxy)propanoic acid","C15 H14 O3","C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)c2ccccc2","InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1","","2020-12-21","2022-01-07","(2~{R})-2-(4-phenylphenoxy)propanoic acid","2022-01-12"],["8US","N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide","C17 H16 F N3 O4 S2","c3(NS(c1ccc(s1)N2CCC(C2)O)(=O)=O)cc4c(cc3F)C=CNC4=O;O[CH]1CCN(C1)c2sc(cc2)[S](=O)(=O)Nc3cc4C(=O)NC=Cc4cc3F;c1cc(sc1N2CCC(C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O","InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1","","2017-03-03","2018-01-05","N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide","2018-01-10"],["TE9","delafloxacin","C18 H12 Cl F3 N4 O4","Nc1nc(N2C=C(C(O)=O)C(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c23)c(F)cc1F;c1c2c(c(c(c1F)N3CC(C3)O)Cl)N(C=C(C2=O)C(=O)O)c4c(cc(c(n4)N)F)F","InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)","1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid","2023-01-05","2024-01-05","1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid","2024-01-10"],["8UU","3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid","C26 H30 F3 N5 O3","CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)N3CCC(CC3)CCC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N;Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N","InChI=1S/C26H30F3N5O3/c1-14(2)25(20(13-30)23(31)37-24-22(25)15(3)32-33-24)17-10-18(26(27,28)29)12-19(11-17)34-8-6-16(7-9-34)4-5-21(35)36/h10-12,14,16H,4-9,31H2,1-3H3,(H,32,33)(H,35,36)/t25-/m0/s1","","2017-09-26","2018-09-21","3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid","2018-09-26"],["TEA","TRIETHYLAMMONIUM ION","C6 H16 N","CC[NH+](CC)CC;CC[NH+](CC)CC;CC[NH+](CC)CC","InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3/p+1","","1999-07-08","2011-06-04","N,N-diethylethanaminium",""],["TEB","(4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid","C16 H23 N3 O4 S2","O=C(O)C=3NC(C(C=O)C(O)C)C(C=3SC2CN(C1=NCCS1)C2)C;C[CH](O)[CH](C=O)[CH]1NC(=C(SC2CN(C2)C3=NCCS3)[CH]1C)C(O)=O;CC1C(NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)C(C=O)C(C)O","InChI=1S/C16H23N3O4S2/c1-8-12(11(7-20)9(2)21)18-13(15(22)23)14(8)25-10-5-19(6-10)16-17-3-4-24-16/h7-12,18,21H,3-6H2,1-2H3,(H,22,23)/t8-,9-,11-,12-/m1/s1","Tebipenem (open form)","2007-11-04","2024-09-27","(4R,5S)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",""],["8UV","N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide","C17 H16 N4 O2 S","COc3cccc(CC(Nc1nc(cs1)c2ccnc(c2)N)=O)c3;COc1cccc(CC(=O)Nc2scc(n2)c3ccnc(N)c3)c1;COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N","InChI=1S/C17H16N4O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22)","","2017-03-06","2018-03-02","N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide","2018-03-07"],["TEC","2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose","C16 H31 N O6","O=C(OCC1OC(O)C(N)C(O)C1O)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O;CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)N)O)O","InChI=1S/C16H31NO6/c1-2-3-4-5-6-7-8-9-12(18)22-10-11-14(19)15(20)13(17)16(21)23-11/h11,13-16,19-21H,2-10,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1","","2014-04-29","2014-09-05","2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose","2014-09-10"],["42M","[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methanol","C14 H12 N2 O7","COc1cc(ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)CO;COc1cc(CO)ccc1Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O;COc1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])CO","InChI=1S/C14H12N2O7/c1-22-14-6-9(8-17)2-4-13(14)23-12-5-3-10(15(18)19)7-11(12)16(20)21/h2-7,17H,8H2,1H3","","2011-12-11","2026-04-03","[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methanol","2012-09-21"],["TED","5-[(1E)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)","C24 H35 N6 O16 P","O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)C=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=CC(=O)NCCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=CC(=O)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O","InChI=1S/C24H35N6O16P/c31-15-7-19(46-16(15)13-45-47(42,43)44)30-8-14(23(40)27-24(30)41)1-2-17(32)25-3-4-26-18(33)9-28(10-20(34)35)5-6-29(11-21(36)37)12-22(38)39/h1-2,8,15-16,19,31H,3-7,9-13H2,(H,25,32)(H,26,33)(H,34,35)(H,36,37)(H,38,39)(H,27,40,41)(H2,42,43,44)/b2-1+/t15-,16+,19+/m0/s1","","2010-07-22","2011-06-04","5-[(13E)-1-carboxy-2,5-bis(carboxymethyl)-7,12-dioxo-2,5,8,11-tetraazatetradec-13-en-14-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["42O","(3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","C22 H19 N O3 S","OC(=O)[CH]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cccc5ccccc45;c1ccc2c(c1)cccc2CC3=CC(=O)N4C(CSC4=C3C5CC5)C(=O)O","InChI=1S/C22H19NO3S/c24-19-11-16(10-15-6-3-5-13-4-1-2-7-17(13)15)20(14-8-9-14)21-23(19)18(12-27-21)22(25)26/h1-7,11,14,18H,8-10,12H2,(H,25,26)/t18-/m0/s1","","2015-01-22","2016-03-11","(3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","2016-03-16"],["42P","(1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol","C21 H26 Cl N5 O4 S","Clc4nc(nc(NC1CC(CO)C(O)C1O)c4c2nc3ccccc3s2)NCCCOC;COCCCNc1nc(Cl)c(c(N[CH]2C[CH](CO)[CH](O)[CH]2O)n1)c3sc4ccccc4n3;COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)NC4CC(C(C4O)O)CO","InChI=1S/C21H26ClN5O4S/c1-31-8-4-7-23-21-26-18(22)15(20-25-12-5-2-3-6-14(12)32-20)19(27-21)24-13-9-11(10-28)16(29)17(13)30/h2-3,5-6,11,13,16-17,28-30H,4,7-10H2,1H3,(H2,23,24,26,27)/t11-,13-,16-,17+/m1/s1","","2015-01-22","2015-05-08","(1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol","2015-05-13"],["TEE","2-AMINO-ETHENETHIOL","C2 H5 N S","S/C=CN;NC=CS;C(=CS)N","InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-","2-THIOETHENAMINE","2002-10-04","2024-09-27","(Z)-2-aminoethenethiol",""],["TEF","4-(2H-tetrazol-2-yl)-L-phenylalanine","C10 H11 N5 O2","O=C(O)C(N)Cc1ccc(cc1)n2ncnn2;N[CH](Cc1ccc(cc1)n2ncnn2)C(O)=O;c1cc(ccc1CC(C(=O)O)N)n2ncnn2","InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1","p-(2-tetrazolyl)-phenylalanine","2010-06-03","2021-03-01","4-(2H-tetrazol-2-yl)-L-phenylalanine",""],["42Q","1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea","C21 H15 F4 N5 O2","FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(Oc2ncnc3c2n(cc3)C)cc4F;Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12;Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)","","2011-09-08","2011-10-28","1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea",""],["42R","(3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one","C13 H14 Br N O2","Brc2ccc(C1=CC(=O)C(O)(C)CN1C)cc2;CN1C[C](C)(O)C(=O)C=C1c2ccc(Br)cc2;CC1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O","InChI=1S/C13H14BrNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-7,17H,8H2,1-2H3/t13-/m0/s1","","2015-01-23","2015-05-01","(3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one","2015-05-06"],["TEG","[2-(2-hydroxyethoxy)ethoxy]acetic acid","C6 H12 O5","C(=O)(O)COCCOCCO;OCCOCCOCC(O)=O;C(COCCOCC(=O)O)O","InChI=1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)","","2015-08-25","2015-10-23","[2-(2-hydroxyethoxy)ethoxy]acetic acid","2015-10-28"],["42S","N'-hydroxy-N-phenyl-3-(trifluoromethyl)benzenecarboximidamide","C14 H11 F3 N2 O","FC(F)(F)c2cccc(C(=NO)Nc1ccccc1)c2;ON=C(Nc1ccccc1)c2cccc(c2)C(F)(F)F;c1ccc(cc1)NC(=NO)c2cccc(c2)C(F)(F)F","InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-4-5-10(9-11)13(19-20)18-12-7-2-1-3-8-12/h1-9,20H,(H,18,19)","","2015-01-23","2015-07-17","N'-hydroxy-N-phenyl-3-(trifluoromethyl)benzenecarboximidamide","2015-07-22"],["TEH","4-(2-phenoxyethanoyl)piperazin-2-one","C12 H14 N2 O3","O=C1CN(CCN1)C(=O)COc2ccccc2;c1ccc(cc1)OCC(=O)N2CCNC(=O)C2","InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)","","2020-12-21","2022-01-07","4-(2-phenoxyethanoyl)piperazin-2-one","2022-01-12"],["42T","3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide","C21 H15 Cl2 F3 N4 O2","Clc3cccc(Cl)c3NC(=O)Nc2cc(C(=Nc1ccccc1)/NO)cc(c2)C(F)(F)F;ONC(=Nc1ccccc1)c2cc(NC(=O)Nc3c(Cl)cccc3Cl)cc(c2)C(F)(F)F;c1ccc(cc1)N=C(c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)NO","InChI=1S/C21H15Cl2F3N4O2/c22-16-7-4-8-17(23)18(16)29-20(31)28-15-10-12(9-13(11-15)21(24,25)26)19(30-32)27-14-5-2-1-3-6-14/h1-11,32H,(H,27,30)(H2,28,29,31)","CBR-9379","2015-01-23","2020-06-17","3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide","2015-07-22"],["TEI","2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID","C16 H16 N2 O3 S","N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)O)C;CC(C)COc1ccc(cc1C#N)c2sc(C(O)=O)c(C)n2;Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O","InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)","","2002-11-12","2011-06-04","2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",""],["42U","4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline","C22 H23 F4 N5","FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4;Fc1ccc(cc1)c2n[nH]cc2c3ccc(NCCN4CCNCC4)c(c3)C(F)(F)F;c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F","InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30)","CBR-9393","2015-01-23","2021-03-01","4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline","2015-07-22"],["TEJ","(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one","C27 H38 O4","O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C;C[CH](C[CH]1CC(=C)C(=O)O1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC(CC1CC(=C)C(=O)O1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C","InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1","(23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone","2009-05-21","2020-06-17","(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one",""],["42V","5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one","C10 H9 N3 O2 S","S=C2NC(=CC=1C=CC(=O)NC=1)C(=O)N2C;CN1C(=S)NC(=CC2=CNC(=O)C=C2)C1=O;CN1C(=O)C(=CC2=CNC(=O)C=C2)NC1=S","InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)4-6-2-3-8(14)11-5-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-4+","","2015-01-27","2015-12-04","5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one","2015-12-09"],["TEK","~{N}-(1-ethylbenzimidazol-2-yl)ethanamide","C11 H13 N3 O","CCn1c(NC(C)=O)nc2ccccc12;CCn1c2ccccc2nc1NC(=O)C","InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)","","2020-12-21","2022-01-07","~{N}-(1-ethylbenzimidazol-2-yl)ethanamide","2022-01-12"],["42W","(E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one","C17 H15 N3 O2 S","C=2C(N(Cc1ccccc1)C=C(C=2)C=C3NC(N(C)C3=O)=S)=O;CN1C(=S)NC(=CC2=CN(Cc3ccccc3)C(=O)C=C2)C1=O;CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S","InChI=1S/C17H15N3O2S/c1-19-16(22)14(18-17(19)23)9-13-7-8-15(21)20(11-13)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,23)/b14-9+","1-benzyl-5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one","2015-01-23","2020-06-17","1-benzyl-5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one","2016-07-27"],["TEL","TELITHROMYCIN","C43 H65 N5 O10","CC12C(CC)OC(C(C)C(=O)C(C)C(C(CC(C(C(C1N(C(O2)=O)CCCCn3cnc(c3)c4cccnc4)C)=O)C)(OC)C)OC5C(C(N(C)C)CC(O5)C)O)=O;CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cnc(c4)c5cccnc5)C(=O)O[C]13C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C","InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1","(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside","2003-05-14","2021-03-13","(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",""],["42X","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide","C14 H28 N3 O8 P","O=P(OCC(C(O)C(=O)NCCC(=O)NCCNC(=O)CC)(C)C)(O)O;CCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C14H28N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h12,20H,4-9H2,1-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m0/s1","","2015-01-23","2024-09-27","N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide","2016-01-27"],["TEM","N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE","C7 H11 N O3","O=CC=CNCC(O)CC=O;O[CH](CNC=CC=O)CC=O;C(C=O)C(CNC=CC=O)O","InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1","","1999-07-08","2024-09-27","(3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal",""],["TEN","TRIETHYL PHOSPHATE","C6 H15 O4 P","O=P(OCC)(OCC)OCC;CCO[P](=O)(OCC)OCC;CCOP(=O)(OCC)OCC","InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3","","2000-06-13","2011-06-04","triethyl phosphate",""],["42Y","O-propanoyl-L-serine","C6 H11 N O4","O=C(OCC(C(=O)O)N)CC;CCC(=O)OC[CH](N)C(O)=O;CCC(=O)OCC(C(=O)O)N","InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1","","2015-01-23","2024-09-27","O-propanoyl-L-serine","2016-01-27"],["TEO","MALATE LIKE INTERMEDIATE","C4 H4 O5","[O-]/C(O)=C/C(O)C([O-])=O;O[CH](C=C(O)[O-])C([O-])=O;C(=C(O)[O-])C(C(=O)[O-])O","InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1","","1999-07-08","2012-01-05","(2R,3Z)-2,4-dihydroxy-4-oxidobut-3-enoate",""],["42Z","N-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonyl]glycine","C10 H7 Cl2 N3 O3","O=C(O)CNC(=O)c2nc1cc(Cl)c(Cl)cc1n2;OC(=O)CNC(=O)c1[nH]c2cc(Cl)c(Cl)cc2n1;c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O","InChI=1S/C10H7Cl2N3O3/c11-4-1-6-7(2-5(4)12)15-9(14-6)10(18)13-3-8(16)17/h1-2H,3H2,(H,13,18)(H,14,15)(H,16,17)","","2010-09-15","2011-06-04","N-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonyl]glycine",""],["TEP","THEOPHYLLINE","C7 H8 N4 O2","O=C2N(c1ncnc1C(=O)N2C)C;CN1C(=O)N(C)c2nc[nH]c2C1=O;CN1c2c([nH]cn2)C(=O)N(C1=O)C","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","","1999-07-08","2011-06-04","1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",""],["430","5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide","C21 H16 F3 N3 O2 S","FC(F)(F)c1ccccc1C(Oc4c(sc(n3cnc2ccccc23)c4)C(=O)N)C;C[CH](Oc1cc(sc1C(N)=O)n2cnc3ccccc23)c4ccccc4C(F)(F)F;CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4","InChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-17-10-18(30-19(17)20(25)28)27-11-26-15-8-4-5-9-16(15)27/h2-12H,1H3,(H2,25,28)/t12-/m1/s1","","2010-08-05","2011-06-04","5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide",""],["431","2-(4-methylphenyl)-4H-chromen-4-one","C16 H12 O2","O=C1c3c(OC(=C1)c2ccc(cc2)C)cccc3;Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2;Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2","InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3","4'-methylflavone","2012-10-19","2020-06-17","2-(4-methylphenyl)-4H-chromen-4-one","2012-10-26"],["TEQ","5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine","C21 H19 F N6","Cc1ncccc1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45;Cc1c(cccn1)C2CC(Nc3n2ncc3F)c4cccc5c4ccc(n5)N","InChI=1S/C21H19FN6/c1-12-13(5-3-9-24-12)19-10-18(27-21-16(22)11-25-28(19)21)14-4-2-6-17-15(14)7-8-20(23)26-17/h2-9,11,18-19,27H,10H2,1H3,(H2,23,26)/t18-,19+/m0/s1","5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine","2020-12-21","2021-07-23","5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine","2021-07-28"],["432","O-butanoyl-L-serine","C7 H13 N O4","O=C(OCC(C(=O)O)N)CCC;CCCC(=O)OC[CH](N)C(O)=O;CCCC(=O)OCC(C(=O)O)N","InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1","","2015-01-23","2024-09-27","O-butanoyl-L-serine","2016-01-27"],["TER","N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE","C10 H26 N4","N(CCCCN)CCCNCCCN;NCCCCNCCCNCCCN;C(CCNCCCNCCCN)CN","InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2","THERMOSPERMINE; PA(334)","1999-07-08","2020-06-17","N-{3-[(3-aminopropyl)amino]propyl}butane-1,4-diamine",""],["433","2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC\nACID","C28 H28 Cl3 F N2 O4","Clc3c(NC(=O)N(CCc1c(F)cccc1Cl)CCCc2ccc(OC(C(=O)O)(C)C)cc2)cccc3Cl;CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc3cccc(Cl)c3Cl)cc1)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl","InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)","GW2433","1999-07-08","2020-06-17","2-[4-(3-{[2-(2-chloro-6-fluorophenyl)ethyl][(2,3-dichlorophenyl)carbamoyl]amino}propyl)phenoxy]-2-methylpropanoic acid",""],["TES","TESTOSTERONE","C19 H28 O2","O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4;C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C","InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1","","1999-07-08","2011-06-04","(8alpha,10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one",""],["434","SPIRO[3-CARBOXY-4-{(4-[1,2,3]THIADIAZOL-4-YL-PHENYL)-AMINO-CARBONYL}\n-5-[3,4-DICHLORO-PHENYL]-TETRAHYDROFURAN-2,2'-5-METHYL-INDAN-1,3-DIONE]","C29 H19 Cl2 N3 O6 S","Clc1ccc(cc1Cl)C6OC3(C(=O)c2ccc(cc2C3=O)C)C(C(=O)O)C6C(=O)Nc5ccc(c4nnsc4)cc5;Cc1ccc2C(=O)[C]3(O[CH]([CH]([CH]3C(O)=O)C(=O)Nc4ccc(cc4)c5csnn5)c6ccc(Cl)c(Cl)c6)C(=O)c2c1;Cc1ccc2c(c1)C(=O)C3(C2=O)C(C(C(O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O","InChI=1S/C29H19Cl2N3O6S/c1-13-2-8-17-18(10-13)26(36)29(25(17)35)23(28(38)39)22(24(40-29)15-5-9-19(30)20(31)11-15)27(37)32-16-6-3-14(4-7-16)21-12-41-34-33-21/h2-12,22-24H,1H3,(H,32,37)(H,38,39)/t22-,23-,24-,29+/m0/s1","BILH 434","2003-11-10","2020-06-17","(2R,3R,4S,5R)-5-(3,4-dichlorophenyl)-5'-methyl-1',3'-dioxo-4-{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl}-1',3',4,5-tetrahydro-3H-spiro[furan-2,2'-indene]-3-carboxylic acid",""],["TET","URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID","C20 H31 F N3 O23 P3","O=P(OC1OC(C(O)C(OC(OP(=O)(O)O)(C(=O)O)CF)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;CC(=O)N[CH]1[CH](O[CH](CO)[CH](O)[CH]1O[C](CF)(O[P](O)(O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(CF)(C(=O)O)OP(=O)(O)O","InChI=1S/C20H31FN3O23P3/c1-7(26)22-11-15(44-20(6-21,18(31)32)46-48(34,35)36)13(29)8(4-25)43-17(11)45-50(39,40)47-49(37,38)41-5-9-12(28)14(30)16(42-9)24-3-2-10(27)23-19(24)33/h2-3,8-9,11-17,25,28-30H,4-6H2,1H3,(H,22,26)(H,31,32)(H,37,38)(H,39,40)(H,23,27,33)(H2,34,35,36)/t8-,9-,11-,12-,13-,14-,15-,16-,17-,20+/m1/s1","","1999-07-08","2011-06-04","(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-3-fluoro-2-(phosphonooxy)propanoic acid (non-preferred name)",""],["435","4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide","C19 H18 N4 O3 S","O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(c2)C)C)cc3;Cc1cc(cc(C)c1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3;Cc1cc(cc(c1O)C)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3","InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+","","2014-01-09","2014-03-28","4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide","2014-04-02"],["TEU","1-O-alpha-D-glucopyranosyl-D-fructose","C12 H22 O11","O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1","1-O-alpha-D-glucosyl-D-fructose; 1-O-D-glucosyl-D-fructose; 1-O-glucosyl-D-fructose","2012-10-04","2020-07-17","1-O-alpha-D-glucopyranosyl-D-fructose","2013-09-25"],["436","(2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide","C42 H56 F2 N8 O6","O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)CC(O)C6)C(NC(=O)C(NC)C)CC;CC[CH](NC(=O)[CH](C)NC)C(=O)N1C[CH](O)C[CH]1Cc2c([nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4C[CH]6C[CH](O)CN6C(=O)[CH](CC)NC(=O)[CH](C)NC;CCC(C(=O)N1CC(CC1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)F)O)NC(=O)C(C)NC","InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34+/m0/s1","","2013-05-22","2014-05-09","(2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide (non-preferred name)","2014-05-14"],["TEV","6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid","C6 H6 N2 O3","O=C1N=C(CC(=N1)C)C(O)=O;CC1=NC(=O)N=C(C1)C(O)=O;CC1=NC(=O)N=C(C1)C(=O)O","InChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H2,1H3,(H,9,10)","","2020-03-20","2021-01-08","6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid","2021-01-13"],["TEW","6-tungstotellurate(VI)","O24 Te W6","[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]","InChI=1S/O6Te.H2O.17O.6W/c1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;/h;1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;6*-1;;;;;;+1/p-1","","2014-03-24","2014-06-20","","2014-06-25"],["437","1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea","C25 H26 N4 O2","O=C(Nc2c1ccccc1ccc2)Nc4cc(nn4c3ccc(cc3)CO)C(C)(C)C;CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4ccc(CO)cc4;CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4","InChI=1S/C25H26N4O2/c1-25(2,3)22-15-23(29(28-22)19-13-11-17(16-30)12-14-19)27-24(31)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-15,30H,16H2,1-3H3,(H2,26,27,31)","","2010-06-29","2012-11-27","1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea",""],["TEX","(2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one","C27 H39 N3 O2","c1cc(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(C)([C@H]=C)CCC=C(/C)C;CC(C)[CH]1N(C)c2ccc(c3[nH]cc(C[CH](CO)NC1=O)c23)[C](C)(CCC=C(C)C)C=C;CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3C(C)(CCC=C(C)C)C=C)N1C)CO","InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1","Teleocidin A 1","2016-03-31","2021-03-01","(2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one","2016-09-28"],["438","2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid","C33 H35 F2 N5 O4","O=C(O)c5ccc(N(C)C)cc5Oc3nc(Oc2cc(c1cccc(c1)CN)ccc2)c(F)c(c3F)N4CCC(N(C)C)C4;CN(C)[CH]1CCN(C1)c2c(F)c(Oc3cccc(c3)c4cccc(CN)c4)nc(Oc5cc(ccc5C(O)=O)N(C)C)c2F;CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CCC(C5)N(C)C)F)C(=O)O","InChI=1S/C33H35F2N5O4/c1-38(2)23-11-12-26(33(41)42)27(17-23)44-32-29(35)30(40-14-13-24(19-40)39(3)4)28(34)31(37-32)43-25-10-6-9-22(16-25)21-8-5-7-20(15-21)18-36/h5-12,15-17,24H,13-14,18-19,36H2,1-4H3,(H,41,42)/t24-/m1/s1","","2009-08-10","2011-06-04","2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid",""],["439","6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE","C25 H26 Cl N3 O3 S","CN(C)[CH]1CCc2cc(ccc12)N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O;CN(C)C1CCc2c1ccc(c2)N3CCC(C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl","InChI=1S/C25H26ClN3O3S/c1-28(2)24-10-5-18-14-20(7-9-22(18)24)29-12-11-23(25(29)30)27-33(31,32)21-8-4-16-13-19(26)6-3-17(16)15-21/h3-4,6-9,13-15,23-24,27H,5,10-12H2,1-2H3/t23-,24+/m0/s1","","2011-02-02","2011-06-04","6-chloro-N-[(3S)-1-[(1R)-1-dimethylamino-2,3-dihydro-1H-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide",""],["TEY","(1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol","C30 H48 N4 O3","n1cnnn1CCC4C(O)CC(=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23)C(=C)C4O;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](CCn4ncnn4)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)CCn4ncnn4)O)C","InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-32-19-31-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1","","2013-01-24","2014-01-17","(1S,2S,3R,5Z,7E,14beta,17alpha)-2-[2-(2H-tetrazol-2-yl)ethyl]-9,10-secocholesta-5,7,10-triene-1,3,25-triol","2014-01-22"],["43A","(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE","C20 H16 N2 O3","O=C2C(c1ccc(cc1N2)c3ccc(O)c(OC)c3)=C/c4cccn4;COc1cc(ccc1O)c2ccc3c(NC(=O)C3=Cc4[nH]ccc4)c2;COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4","InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-","","2005-10-05","2011-06-04","(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one",""],["TEZ","N-(2,1,3-Benzothiadiazol-5-yl)acetamide","C8 H7 N3 O S","CC(=O)Nc1ccc2nsnc2c1;CC(=O)Nc1ccc2c(c1)nsn2","InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)","~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide","2020-12-21","2022-01-07","~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide","2022-01-12"],["43B","3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE","C36 H30 N4 O5 S3","[O-][N+](=O)c2cc(ccc2NCCSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(c3cc4nc(sc4cc3)CCc5ccccc5)cc6;[O-][N+](=O)c1cc(ccc1NCCSc2ccccc2)[S](=O)(=O)NC(=O)c3ccc(cc3)c4ccc5sc(CCc6ccccc6)nc5c4;c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6","InChI=1S/C36H30N4O5S3/c41-36(39-48(44,45)30-17-18-31(33(24-30)40(42)43)37-21-22-46-29-9-5-2-6-10-29)27-14-12-26(13-15-27)28-16-19-34-32(23-28)38-35(47-34)20-11-25-7-3-1-4-8-25/h1-10,12-19,23-24,37H,11,20-22H2,(H,39,41)","","2005-03-09","2011-06-04","N-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]-4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzamide",""],["TF0","2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose","C14 H25 N O11","C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1","TF antigen","2017-08-17","2020-07-17","2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose","2018-02-28"],["43C","4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile","C21 H18 N6","N#Cc1ccc(cc1)c3n(cnc3c2ccccc2)CCn4nnc(c4)C;Cc1cn(CCn2cnc(c3ccccc3)c2c4ccc(cc4)C#N)nn1;Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4","InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3","","2015-01-25","2015-03-06","4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile","2015-03-11"],["TF1","4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE","C18 H20 F3 N3 O3","O=C(c1ccc(C#N)cc1)N2CC(N(C(=O)C(O)(C)C(F)(F)F)CC2C)C;C[CH]1CN([CH](C)CN1C(=O)c2ccc(cc2)C#N)C(=O)[C](C)(O)C(F)(F)F;CC1CN(C(CN1C(=O)C(C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N","InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1","","2005-06-08","2011-06-04","4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile",""],["TF2","(N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE","C19 H21 F3 N2 O4 S","O=S(=O)(N(c1ccccc1)CC)c2ccc(NC(=O)C(O)(C)C(F)(F)F)c(c2)C;CCN(c1ccccc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O)C(F)(F)F)c(C)c2;CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)C(C)(C(F)(F)F)O","InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1","","2005-06-08","2011-06-04","(2R)-N-{4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide",""],["43D","4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile","C19 H18 N8","N#Cc1ccc(cc1)c3n(cnc3c2cn(nc2)C)CCn4nnc(c4)C;Cn1cc(cn1)c2ncn(CCn3cc(C)nn3)c2c4ccc(cc4)C#N;Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C","InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3","","2015-01-25","2015-03-06","4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile","2015-03-11"],["TF3","N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE","C20 H25 Cl N2 O2","Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN;CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1;CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN","InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24)","","2005-06-08","2011-06-04","N-(2-aminoethyl)-2-(3-chloro-4-{[4-(1-methylethyl)benzyl]oxy}phenyl)acetamide",""],["43E","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea","C15 H17 Cl2 N3 O S","O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc2ccsc2;Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cscc2)c1;c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl","InChI=1S/C15H17Cl2N3OS/c16-12-6-11(7-13(17)8-12)9-18-3-1-4-19-15(21)20-14-2-5-22-10-14/h2,5-8,10,18H,1,3-4,9H2,(H2,19,20,21)","","2011-10-10","2012-09-28","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea","2012-09-28"],["43F","2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE","C14 H11 Cl3 O2","Clc2cc(Cl)ccc2Oc1ccc(cc1OC)CCl;COc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl;COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl","InChI=1S/C14H11Cl3O2/c1-18-14-6-9(8-15)2-4-13(14)19-12-5-3-10(16)7-11(12)17/h2-7H,8H2,1H3","","2011-12-12","2014-09-05","2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene (non-preferred name)","2012-09-21"],["TF4","DICHLORO-ACETIC ACID","C2 H2 Cl2 O2","ClC(Cl)C(=O)O;OC(=O)C(Cl)Cl;C(C(=O)O)(Cl)Cl","InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)","","2005-06-08","2011-06-04","dichloroacetic acid",""],["43G","1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one","C17 H13 N O2","O=C3C=CN(c2cccc(c1ccccc1)c2)C=C3O;OC1=CN(C=CC1=O)c2cccc(c2)c3ccccc3;c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O","InChI=1S/C17H13NO2/c19-16-9-10-18(12-17(16)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,20H","","2015-01-26","2015-04-10","1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one","2015-04-15"],["TF5","2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL","C14 H11 F3 O2","Fc2ccc(c1ccccc1OCCO)c(F)c2F;OCCOc1ccccc1c2ccc(F)c(F)c2F;c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO","InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2","","2007-02-15","2011-06-04","2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol",""],["TF6","4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid","C19 H19 F3 N2 O3","FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O)O)CC3;OC(=O)N1CCC(CC1)Cc2cccc(Oc3ccc(cn3)C(F)(F)F)c2;c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O","InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-5-17(23-12-15)27-16-3-1-2-14(11-16)10-13-6-8-24(9-7-13)18(25)26/h1-5,11-13H,6-10H2,(H,25,26)","","2010-01-29","2011-12-06","4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid",""],["43H","[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid","C17 H14 B N O4","O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O;OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3;B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O","InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H","","2015-01-26","2015-04-10","[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid","2015-04-15"],["43I","3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide","C23 H31 Cl2 N7 O","CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O;CCC1CN(CCN1C2CCN(CC2)Cc3ccc(cc3)Cl)c4c(nc(c(n4)N)C(=O)N)Cl","InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1","","2023-01-04","2023-11-24","3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide","2023-11-29"],["TF7","(3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine","C7 H14 N4 O4 S","O=C(O)C(N)C(S(O)O)(Cn1nncc1)C;C[C](Cn1ccnn1)([CH](N)C(O)=O)[SH](O)O;CC(Cn1ccnn1)(C(C(=O)O)N)S(O)O","InChI=1S/C7H14N4O4S/c1-7(16(14)15,5(8)6(12)13)4-11-3-2-9-10-11/h2-3,5,14-16H,4,8H2,1H3,(H,12,13)/t5-,7-/m0/s1","","2011-02-17","2011-06-04","(3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine",""],["43J","2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one","C17 H14 N2 O2","O=C3C(O)=CN=C(c2cccc(c1ccccc1)c2)N3C;CN1C(=O)C(=CN=C1c2cccc(c2)c3ccccc3)O;CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3","InChI=1S/C17H14N2O2/c1-19-16(18-11-15(20)17(19)21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,20H,1H3","","2015-01-26","2015-04-10","2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one","2015-04-15"],["TF8","(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid","C6 H12 O6","C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;CC(C(C(C(C(=O)O)O)O)O)O","InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4-,5+/m0/s1","(2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid","2020-12-22","2021-04-02","(2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid","2021-04-07"],["TF9","acetohexamide","C15 H20 N2 O4 S","CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2;CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)","1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea","2023-04-21","2024-11-11","1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea","2024-04-24"],["43K","(5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine","C24 H15 F2 N5 O2","Fc1nccc(c1)c6ncc5Oc3ccc(c2cccnc2F)cc3C4(N=C(OC4)N)c5c6;NC1=N[C]2(CO1)c3cc(ccc3Oc4cnc(cc24)c5ccnc(F)c5)c6cccnc6F;c1cc(c(nc1)F)c2ccc3c(c2)C4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F","InChI=1S/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1","","2015-01-26","2015-01-30","(5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine","2015-02-04"],["43L","(5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine","C16 H13 Br2 N5","Brc1cccc(c1)C3n4nnnc4NC(c2cccc(Br)c2)C3;Brc1cccc(c1)[CH]2C[CH](n3nnnc3N2)c4cccc(Br)c4;c1cc(cc(c1)Br)C2CC(n3c(nnn3)N2)c4cccc(c4)Br","InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1","","2015-01-28","2015-12-04","(5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine","2015-12-09"],["TFA","trifluoroacetic acid","C2 H F3 O2","FC(F)(F)C(=O)O;OC(=O)C(F)(F)F;C(=O)(C(F)(F)F)O","InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)","","1999-07-08","2026-02-04","trifluoroacetic acid",""],["TFB","TETRAHYDROFURAN-2-CARBOXYLIC ACID","C5 H8 O3","O=C(O)C1OCCC1;OC(=O)[CH]1CCCO1;C1CC(OC1)C(=O)O","InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1","","2001-11-09","2011-06-04","(2S)-tetrahydrofuran-2-carboxylic acid",""],["43M","4-CHLORO-3-METHYLPHENOL","C7 H7 Cl O","Clc1ccc(O)cc1C;Cc1cc(O)ccc1Cl;Cc1cc(ccc1Cl)O","InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3","","2007-04-16","2011-06-04","4-chloro-3-methylphenol",""],["TFC","1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE","C11 H19 F3 O S","FC(F)(F)C(=O)CSCCCCCCCC;CCCCCCCCSCC(=O)C(F)(F)F;CCCCCCCCSCC(=O)C(F)(F)F","InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3","","2006-01-24","2024-09-27","1,1,1-trifluoro-3-(octylsulfanyl)propan-2-one",""],["43N","2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid","C32 H33 Cl N4 O5","O=C(O)c2c(NCC)cc(cc2Oc1cccc(Cl)c1)C(c3ccccc3)N5CCCC(N4C=C(C(=O)NC4=O)C)C5;CCNc1cc(cc(Oc2cccc(Cl)c2)c1C(O)=O)[CH](N3CCC[CH](C3)N4C=C(C)C(=O)NC4=O)c5ccccc5;CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)C(c3ccccc3)N4CCCC(C4)N5C=C(C(=O)NC5=O)C","InChI=1S/C32H33ClN4O5/c1-3-34-26-15-22(16-27(28(26)31(39)40)42-25-13-7-11-23(33)17-25)29(21-9-5-4-6-10-21)36-14-8-12-24(19-36)37-18-20(2)30(38)35-32(37)41/h4-7,9-11,13,15-18,24,29,34H,3,8,12,14,19H2,1-2H3,(H,39,40)(H,35,38,41)/t24-,29+/m0/s1","","2015-01-29","2015-02-06","2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid","2015-02-11"],["43O","N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide","C14 H18 N2 O3","O=C(NCCc2c1cc(O)ccc1nc2C)COC;COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12;Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC","InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)","","2015-01-29","2015-06-26","N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide","2015-07-01"],["TFD","N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine","C18 H16 Cl F3 N6","FC(F)(F)c1nc(ccc1)NCCNc2nc(nc(c2Cl)C)c3ncccc3;Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)c3ccccn3;Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl","InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(26-11)12-5-2-3-8-23-12)25-10-9-24-14-7-4-6-13(27-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,24,27)(H,25,26,28)","","2013-01-10","2013-12-06","N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine","2013-12-11"],["43P","4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE","C14 H14 N4 O2","n1cncc1c2c(nnc2)c3cc(c(O)cc3O)CC;CCc1cc(c(O)cc1O)c2n[nH]cc2c3c[nH]cn3;CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3","InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)","","2005-02-01","2011-06-04","4-ethyl-6-[4-(1H-imidazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol",""],["TFE","2'-O-[2-(TRIFLUORO)ETHYL] THYMIDINE-5'-MONOPHOSPHATE","C12 H16 F3 N2 O9 P","FC(F)(F)COC2C(O)C(OC2N1C(=O)NC(=O)C(=C1)C)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCC(F)(F)F)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCC(F)(F)F","InChI=1S/C12H16F3N2O9P/c1-5-2-17(11(20)16-9(5)19)10-8(24-4-12(13,14)15)7(18)6(26-10)3-25-27(21,22)23/h2,6-8,10,18H,3-4H2,1H3,(H,16,19,20)(H2,21,22,23)/t6-,7-,8-,10-/m1/s1","","2004-12-17","2011-06-04","5-methyl-2'-O-(2,2,2-trifluoroethyl)uridine 5'-(dihydrogen phosphate)",""],["43Q","(3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate","C5 H13 O9 P2","OP(OP(=O)(O)OCC([C+](C)CO)O)(O)=O;C[C+](CO)[CH](O)CO[P](O)(=O)O[P](O)(O)=O;C[C+](CO)C(COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C5H12O9P2/c1-4(2-6)5(7)3-13-16(11,12)14-15(8,9)10/h5-7H,2-3H2,1H3,(H2-,8,9,10,11,12)/p+1/t5-/m1/s1","","2015-01-30","2015-04-24","(3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium","2015-04-29"],["TFF","5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine","C12 H17 F4 N2 O12 P3","CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C(F)(F)[P](O)(=O)C(F)(F)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C(F)(F)P(=O)(C(F)(F)P(=O)(O)O)O)O)O","InChI=1S/C12H17F4N2O12P3/c1-5-3-18(10(21)17-9(5)20)8-2-6(19)7(30-8)4-29-33(27,28)12(15,16)31(22,23)11(13,14)32(24,25)26/h3,6-8,19H,2,4H2,1H3,(H,22,23)(H,27,28)(H,17,20,21)(H2,24,25,26)/t6-,7+,8+/m0/s1","","2010-02-04","2011-06-04","[[[difluoro-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid",""],["43R","N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide","C14 H16 N4 O2 S","O=C(Nc1nc3c(s1)CN(c2cc(OC)cnc2)CC3)C;COc1cncc(c1)N2CCc3nc(NC(C)=O)sc3C2;CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC","InChI=1S/C14H16N4O2S/c1-9(19)16-14-17-12-3-4-18(8-13(12)21-14)10-5-11(20-2)7-15-6-10/h5-7H,3-4,8H2,1-2H3,(H,16,17,19)","","2015-02-02","2015-07-31","N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide","2015-08-05"],["TFG","2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL","C19 H16 F3 N3 O3 S","O=C(c1sc(cc1)C(O)(O)C(F)(F)F)N4Cc3ncc(c2ccccc2)n3CC4;OC(O)(c1sc(cc1)C(=O)N2CCn3c(C2)ncc3c4ccccc4)C(F)(F)F;c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O","InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2","","2008-03-17","2011-06-04","2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol",""],["43S","6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine","C13 H8 Br N5 O","Brc2cc1c(occ1)c(c2)c4nc(nc3c4ncn3)N;Nc1nc2[nH]cnc2c(n1)c3cc(Br)cc4ccoc34;c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br","InChI=1S/C13H8BrN5O/c14-7-3-6-1-2-20-11(6)8(4-7)9-10-12(17-5-16-10)19-13(15)18-9/h1-5H,(H3,15,16,17,18,19)","","2015-02-02","2015-03-06","6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine","2015-03-11"],["TFH","NITROGEN OF TRIFLUORO-ETHYLHYDRAZINE","N2","N#N;N#N;N#N","InChI=1/N2/c1-2","","1999-07-08","2008-10-14","nitrogen",""],["TFI","2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE","C19 H22 F3 N5 O5 S","FC(F)(F)C(=O)C(NC(=O)CN2C(=O)C(=CN=C2c1ccc(N)cc1)NS(=O)(=O)C)C(C)C;CC(C)[CH](NC(=O)CN1C(=O)C(=CN=C1c2ccc(N)cc2)N[S](C)(=O)=O)C(=O)C(F)(F)F;CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N","InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)/t15-/m0/s1","","1999-07-08","2024-09-27","2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide",""],["43T","3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide","C24 H29 F N4 O2","O=C(NC(c1ccccc1)C)c2cc(cc(F)c2)CN3C(=NC(CC3=O)(C)C(C)C)N;CC(C)[C]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[CH](C)c3ccccc3)C(=N1)N;CC(C)C1(CC(=O)N(C(=N1)N)Cc2cc(cc(c2)F)C(=O)NC(C)c3ccccc3)C","InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1","","2015-01-30","2015-02-20","3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide","2015-02-25"],["43U","6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine","C12 H10 Br N5 O","Brc3cc(c2nc(nc1c2ncn1)N)c(OC)cc3;COc1ccc(Br)cc1c2nc(N)nc3[nH]cnc23;COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br","InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18)","","2015-02-02","2015-03-06","6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine","2015-03-11"],["TFJ","(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate","C32 H58 N2 O8","N(C=O)([C@H]=CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN)C)OC(C1OCCC1)=O)OC)C)CC;CCN(C=O)C=C[CH](C)[CH](OC)[CH](C)[CH](CC[CH](C)[CH](C[CH](OC(=O)CCCN)C(C)C)OC)OC(=O)[CH]1CCCO1;CCN(C=CC(C)C(C(C)C(CCC(C)C(CC(C(C)C)OC(=O)CCCN)OC)OC(=O)C1CCCO1)OC)C=O","InChI=1S/C32H58N2O8/c1-9-34(21-35)18-16-24(5)31(39-8)25(6)26(42-32(37)27-12-11-19-40-27)15-14-23(4)29(38-7)20-28(22(2)3)41-30(36)13-10-17-33/h16,18,21-29,31H,9-15,17,19-20,33H2,1-8H3/b18-16+/t23-,24+,25-,26+,27+,28-,29-,31+/m0/s1","","2020-03-20","2020-10-16","(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate","2020-10-21"],["TFK","3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE","C20 H23 F3 N4 O5 S","O=C(NC(C(=O)C(F)(F)F)C(C)C)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2;CN[S](=O)(=O)NC1=CC=C(N(CC(=O)N[CH](C(C)C)C(=O)C(F)(F)F)C1=O)c2ccccc2;CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2","InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1","","1999-07-08","2024-09-27","2-{3-[(methylsulfamoyl)amino]-2-oxo-6-phenylpyridin-1(2H)-yl}-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide",""],["43V","N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide","C25 H20 Cl2 N2 O3 S2","O=C(Nc2nc(c1cc(Cl)ccc1Cl)c(s2)c3ccccc3)Cc4ccc(cc4)S(=O)(=O)CC;CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(c3ccccc3)c(n2)c4cc(Cl)ccc4Cl)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl","InChI=1S/C25H20Cl2N2O3S2/c1-2-34(31,32)19-11-8-16(9-12-19)14-22(30)28-25-29-23(20-15-18(26)10-13-21(20)27)24(33-25)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,28,29,30)","","2015-02-03","2015-08-07","N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide","2015-08-12"],["43W","but-3-yn-1-yl trihydrogen diphosphate","C4 H8 O7 P2","O=P(O)(O)OP(=O)(OCCC#C)O;O[P](O)(=O)O[P](O)(=O)OCCC#C;C#CCCOP(=O)(O)OP(=O)(O)O","InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)","","2015-01-31","2015-04-24","but-3-yn-1-yl trihydrogen diphosphate","2015-04-29"],["TFL","2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM","C16 H17 N2 O S","Oc3ccc1c(sc([n+]1C)c2ccc(N(C)C)cc2)c3;CN(C)c1ccc(cc1)c2sc3cc(O)ccc3[n+]2C;C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O","InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1","","2006-10-19","2011-06-04","2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium",""],["43X","[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate","C8 H11 F N3 O6 P S","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2;NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(O)=O)O2;C1C(OC(S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F","InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1","FTC-MP","2015-02-03","2021-03-01","[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate","2017-01-11"],["TFM","S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA","C10 H11 F3 N2 S","FC(F)(F)c1ccc(N=C(/SCC)N)cc1;CCSC(N)=Nc1ccc(cc1)C(F)(F)F;CCSC(=Nc1ccc(cc1)C(F)(F)F)N","InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)","","2001-10-23","2011-06-04","ethyl N'-[4-(trifluoromethyl)phenyl]imidothiocarbamate",""],["43Y","[(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate","C14 H29 N O8 P","O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC;CCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC;CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC","InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1","1,2-dipropionyl-sn-glycero-3-phosphocholine","2015-02-03","2020-06-17","(4S,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(propanoyloxy)-3,5,9-trioxa-4-phosphadodecan-1-aminium 4-oxide","2016-02-03"],["TFN","N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide","C24 H33 N5 O5 S","O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)COC(C)(C)C)Cc2ccccc2;CC(C)(C)OC[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N;CC(C)(C)OCC(C(=O)NCC(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2ccccc2","InChI=1S/C24H33N5O5S/c1-24(2,3)34-15-20(29-35(32,33)16-18-7-5-4-6-8-18)23(31)28-14-21(30)27-13-17-9-11-19(12-10-17)22(25)26/h4-12,20,29H,13-16H2,1-3H3,(H3,25,26)(H,27,30)(H,28,31)/t20-/m1/s1","","2010-11-18","2012-01-11","N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide",""],["TFO","[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID","C9 H14 N5 O4 P","O=P(O)(O)COC(C)Cn1c2ncnc(c2nc1)N;C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(O)=O;CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)O","InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1","TENOFOVIR","2004-04-21","2021-03-01","{[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonic acid",""],["43Z","Optactamide","C13 H15 Cl F N O3","O=C(NCc1cccc(F)c1Cl)C2CC(O)C(O)C2;O[CH]1C[CH](C[CH]1O)C(=O)NCc2cccc(F)c2Cl;c1cc(c(c(c1)F)Cl)CNC(=O)C2CC(C(C2)O)O","InChI=1S/C13H15ClFNO3/c14-12-7(2-1-3-9(12)15)6-16-13(19)8-4-10(17)11(18)5-8/h1-3,8,10-11,17-18H,4-6H2,(H,16,19)/t8-,10+,11-","","2015-02-03","2016-02-05","(1r,3R,4S)-N-(2-chloro-3-fluorobenzyl)-3,4-dihydroxycyclopentanecarboxamide","2016-02-10"],["440","3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol","C13 H16 O3 S2","O=S(=O)(c1ccc(OCC#CC)cc1)CCCS;CC#CCOc1ccc(cc1)[S](=O)(=O)CCCS;CC#CCOc1ccc(cc1)S(=O)(=O)CCCS","InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3","","2007-11-05","2011-06-04","3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol",""],["TFP","10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE","C21 H24 F3 N3 S","FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4;CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1;CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F","InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3","","1999-07-08","2011-06-04","10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine",""],["442","2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL","C23 H23 Br2 N O5","Brc3cc(cc(Br)c3Oc1cc(c(O)cc1)C(O)NCCc2ccccc2)CC(O)O;OC(O)Cc1cc(Br)c(Oc2ccc(O)c(c2)[CH](O)NCCc3ccccc3)c(Br)c1;c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O","InChI=1S/C23H23Br2NO5/c24-18-10-15(12-21(28)29)11-19(25)22(18)31-16-6-7-20(27)17(13-16)23(30)26-9-8-14-4-2-1-3-5-14/h1-7,10-11,13,21,23,26-30H,8-9,12H2","[3,5-DIBROMO-4-(4-HYDROXY-3-PHENETHYLCARBAMOYL-PHENOXY)-PHENYL]-ACETIC ACID","2003-11-21","2020-06-17","2-[3,5-dibromo-4-(4-hydroxy-3-{(R)-hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol",""],["TFQ","4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE","C11 H12 F3 N O2","FC(F)(F)Cc1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(CC(F)(F)F)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)CC(F)(F)F","InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1","","2007-05-31","2011-06-04","4-(2,2,2-trifluoroethyl)-L-phenylalanine",""],["443","1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one","C22 H26 Cl N3 O5 S","O[CH](C[S](=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N3CC[CH](CC3)N4CCCNC4=O;c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)CC(C(=O)N3CCC(CC3)N4CCCNC4=O)O","InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1","","2009-11-10","2011-06-04","1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-propanoyl]piperidin-4-yl]-1,3-diazinan-2-one",""],["TFR","(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid","C11 H19 F3 N2 O4","FC(F)(F)C(O)C(NC(=O)CCCCC(C(=O)O)N)C;C[CH](NC(=O)CCCC[CH](N)C(O)=O)[CH](O)C(F)(F)F;CC(C(C(F)(F)F)O)NC(=O)CCCCC(C(=O)O)N","InChI=1S/C11H19F3N2O4/c1-6(9(18)11(12,13)14)16-8(17)5-3-2-4-7(15)10(19)20/h6-7,9,18H,2-5,15H2,1H3,(H,16,17)(H,19,20)/t6-,7-,9+/m1/s1","","2012-11-23","2024-09-27","(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid","2013-03-27"],["444","N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE","C17 H12 F9 N O3 S","O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)CC(F)(F)F)c2ccccc2;OC(c1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F;c1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2","","2003-07-18","2011-06-04","N-(2,2,2-trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide",""],["TFS","trifluoromethanesulfonic acid","C H F3 O3 S","FC(F)(F)S(=O)(=O)O;O[S](=O)(=O)C(F)(F)F;C(F)(F)(F)S(=O)(=O)O","InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)","","2007-11-19","2011-06-04","trifluoromethanesulfonic acid",""],["TFT","(L)-ALPHA-THREOFURANOSYL-THYMINE-3'-MONOPHOSPHATE","C9 H13 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OCC(OP(=O)(O)O)C2O;CC1=CN([CH]2OC[CH](O[P](O)(O)=O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(CO2)OP(=O)(O)O)O","InChI=1S/C9H13N2O8P/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-18-8)19-20(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2002-11-06","2011-06-04","(3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl dihydrogen phosphate",""],["445","N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine","C14 H18 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ccccc2;OC[CH]1O[CH](NC(=O)C(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)NC(=O)C(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1","N-[oxo(phenylamino)acetyl]-beta-D-glucosylamine; N-[oxo(phenylamino)acetyl]-D-glucosylamine;\nN-[oxo(phenylamino)acetyl]-glucosylamine","2008-04-23","2020-07-17","N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine",""],["446","4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid","C28 H23 Br N2 O6","O=C(O)CCC(=O)Nc1ccc(cc1)CN3C(=C(c2c(ccc(Br)c2)C3=O)c4ccccc4)C(=O)OC;COC(=O)C1=C(c2ccccc2)c3cc(Br)ccc3C(=O)N1Cc4ccc(NC(=O)CCC(O)=O)cc4;COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4","InChI=1S/C28H23BrN2O6/c1-37-28(36)26-25(18-5-3-2-4-6-18)22-15-19(29)9-12-21(22)27(35)31(26)16-17-7-10-20(11-8-17)30-23(32)13-14-24(33)34/h2-12,15H,13-14,16H2,1H3,(H,30,32)(H,33,34)","","2007-11-28","2011-06-04","4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid",""],["TFU","methyl 1-seleno-beta-L-fucopyranoside","C7 H14 O4 Se","C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)[Se]C)O)O)O","InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1","(2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol; methyl 6-deoxy-1-seleno-beta-L-galactopyranoside; methyl\n1-seleno-beta-L-fucoside; methyl 1-seleno-L-fucoside; methyl 1-seleno-fucoside","2015-11-12","2020-07-17","(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-methylselanyl-oxane-3,4,5-triol","2016-06-29"],["447","N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide","C29 H31 N5 O4","O=C(c1ccccc1)Nc2ccc(cc2)Nc5ncnc4cc(OCCCN3CCOCC3)c(OC)cc45;COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN5CCOCC5;COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5","InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)","","2008-04-16","2011-06-04","N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide",""],["TFV","N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine","C18 H16 Cl F3 N6","FC(F)(F)c1ccc(nc1)NCCNc2nc(nc(c2Cl)C)c3ncccc3;Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)c3ccccn3;Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl","InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)","","2013-01-10","2013-12-06","N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine","2013-12-11"],["448","(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE","C17 H17 F6 N5 O","Fc1cc(c(F)cc1F)CC(N)CC(=O)N3C(c2nc(nn2CC3)C(F)(F)F)C;C[CH]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[CH](N)Cc3cc(F)c(F)cc3F;CC1c2nc(nn2CCN1C(=O)CC(Cc3cc(c(cc3F)F)F)N)C(F)(F)F","InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1","","2007-07-25","2011-06-04","(2R)-4-[(8R)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine",""],["TFW","5,6,7-trifluoro-tryptophan","C11 H9 F3 N2 O2","N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O;c1c2c(c[nH]c2c(c(c1F)F)F)CC(C(=O)O)N","InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1","(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid","2022-02-10","2024-09-27","(2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid","2022-11-23"],["449","4-carboxy-1,1-dimethylpiperidin-1-ium","C8 H16 N O2","O=C(O)C1CC[N+](C)(C)CC1;C[N+]1(C)CCC(CC1)C(O)=O;C[N+]1(CCC(CC1)C(=O)O)C","InChI=1S/C8H15NO2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3/p+1","","2014-04-02","2014-09-12","4-carboxy-1,1-dimethylpiperidinium","2014-09-17"],["TFX","2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium","C17 H19 N2 S","s2c1cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C;CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C;Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C","InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1","Thioflavin T","2010-05-12","2021-03-01","2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium",""],["TFY","(1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol","C30 H48 N4 O3","n1nnn(c1)CCC4C(O)CC(=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23)C(=C)C4O;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](CCn4cnnn4)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)CCn4cnnn4)O)C","InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-19-31-32-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1","","2013-01-24","2014-01-17","(1S,2S,3R,5Z,7E,14beta,17alpha)-2-[2-(1H-tetrazol-1-yl)ethyl]-9,10-secocholesta-5,7,10-triene-1,3,25-triol","2014-01-22"],["44A","9-beta-D-ribofuranuronosyl-9H-purin-6-amine","C10 H11 N5 O5","O=C(O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)O)O)O)N","InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1","","2010-05-25","2012-01-13","9-(beta-D-ribofuranuronosyl)-9H-purin-6-amine",""],["TFZ","N-phenyl-2-(trifluoromethyl)benzamide","C14 H10 F3 N O","FC(F)(F)c1ccccc1C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F","InChI=1S/C14H10F3NO/c15-14(16,17)12-9-5-4-8-11(12)13(19)18-10-6-2-1-3-7-10/h1-9H,(H,18,19)","","2010-02-10","2011-06-04","N-phenyl-2-(trifluoromethyl)benzamide",""],["44B","1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL","C11 H8 F9 N O","FC(F)(F)C(O)(c1ccc(NCC(F)(F)F)cc1)C(F)(F)F;OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F;c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F","InChI=1S/C11H8F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h1-4,21-22H,5H2","","2003-07-18","2011-06-04","1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol",""],["44C","4'-(4-{4-[(2-CARBOXYPHENYL)AMINO]PHENOXY}BUTOXY)-1,1'-BIPHENYL-4-CARBOXYLIC ACID","C30 H27 N O6","O=C(O)c1ccc(cc1)c4ccc(OCCCCOc2ccc(cc2)Nc3ccccc3C(=O)O)cc4;OC(=O)c1ccc(cc1)c2ccc(OCCCCOc3ccc(Nc4ccccc4C(O)=O)cc3)cc2;c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O","InChI=1S/C30H27NO6/c32-29(33)23-9-7-21(8-10-23)22-11-15-25(16-12-22)36-19-3-4-20-37-26-17-13-24(14-18-26)31-28-6-2-1-5-27(28)30(34)35/h1-2,5-18,31H,3-4,19-20H2,(H,32,33)(H,34,35)","","2005-12-19","2011-06-04","4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)biphenyl-4-carboxylic acid",""],["ULP","(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)","C25 H34 N5 O22 P3","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O;CC(=O)N[CH]1[CH](O[CH]([CH](O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)C(=O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O","InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15-,16-,18-,19+,20-,21+,22-,24-/m1/s1","","2010-07-16","2011-06-04","(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["44D","7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE","C32 H37 N O13","O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C;C[CH]1O[CH](C[CH](N)[CH]1O)O[CH]2[CH](C)O[CH](C[CH]2O)O[CH]3C[C](O)(Cc4c(O)c5C(=O)c6ccccc6C(=O)c5c(O)c34)C(=O)CO;CC1C(C(CC(O1)OC2C(OC(CC2O)OC3CC(Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O","InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1","4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN","2002-12-16","2021-03-01","(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside",""],["ULQ","6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide","C21 H23 N3 O4","CNC(=O)c1cc(cc(n1)[CH](OC)c2ccccc2)C(=O)NC3[CH]4COC[CH]34;CNC(=O)c1cc(cc(n1)C(c2ccccc2)OC)C(=O)NC3C4C3COC4","InChI=1S/C21H23N3O4/c1-22-21(26)17-9-13(20(25)24-18-14-10-28-11-15(14)18)8-16(23-17)19(27-2)12-6-4-3-5-7-12/h3-9,14-15,18-19H,10-11H2,1-2H3,(H,22,26)(H,24,25)/t14-,15+,18+,19-/m0/s1","","2021-03-01","2021-07-16","6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide","2021-07-21"],["ULR","4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide","C20 H23 F N6 O","CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)nc4cn3;CCC1CN(CCN1)c2ccc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C","InChI=1S/C20H23FN6O/c1-3-14-11-26(7-6-22-14)15-4-5-16(17(21)8-15)20(28)25-18-12-27-10-13(2)24-19(27)9-23-18/h4-5,8-10,12,14,22H,3,6-7,11H2,1-2H3,(H,25,28)/t14-/m0/s1","SMN-CY","2023-02-07","2024-02-16","4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide","2024-02-21"],["44E","(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate","C15 H29 O8 P","O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC;CCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCC","InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1","","2015-02-03","2016-01-29","(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate","2016-02-03"],["ULS","3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile","C16 H10 F4 N2 O2","N#Cc1cc(cc(c1)Oc2cnc(c3c2CCC3O)C(F)(F)F)F;O[CH]1CCc2c(Oc3cc(F)cc(c3)C#N)cnc(c12)C(F)(F)F;c1c(cc(cc1Oc2cnc(c3c2CCC3O)C(F)(F)F)F)C#N","InChI=1S/C16H10F4N2O2/c17-9-3-8(6-21)4-10(5-9)24-13-7-22-15(16(18,19)20)14-11(13)1-2-12(14)23/h3-5,7,12,23H,1-2H2/t12-/m1/s1","","2020-05-22","2021-05-21","3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile","2021-05-26"],["44F","1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea","C16 H20 Cl N3 O2 S","O=C(NCCCNCc1cc(OC)cc(Cl)c1)Nc2ccsc2;COc1cc(Cl)cc(CNCCCNC(=O)Nc2cscc2)c1;COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2","InChI=1S/C16H20ClN3O2S/c1-22-15-8-12(7-13(17)9-15)10-18-4-2-5-19-16(21)20-14-3-6-23-11-14/h3,6-9,11,18H,2,4-5,10H2,1H3,(H2,19,20,21)","","2011-10-10","2012-09-28","1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea","2012-09-28"],["ULT","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid","C22 H14 Cl F3 N2 O4","OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)cc1;c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F","InChI=1S/C22H14ClF3N2O4/c23-17-3-1-2-16(22(24,25)26)18(17)19-15(20(32-28-19)13-8-9-27-10-13)11-31-14-6-4-12(5-7-14)21(29)30/h1-10,27H,11H2,(H,29,30)","FM156","2021-03-01","2021-05-28","4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid","2021-06-02"],["44G","(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate","C18 H35 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCC)CCCCC;CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC;CCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC","InChI=1S/C18H35O10P/c1-3-5-7-9-17(21)25-13-16(28-18(22)10-8-6-4-2)14-27-29(23,24)26-12-15(20)11-19/h15-16,19-20H,3-14H2,1-2H3,(H,23,24)/t15-,16+/m1/s1","","2015-02-03","2016-01-29","(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate","2016-02-03"],["44H","D-Mannitol-1-phosphate","C6 H15 O9 P","O=P(OCC(O)C(O)C(O)C(O)CO)(O)O;OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O","InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1","1-O-phosphono-D-mannitol","2015-02-11","2022-04-22","1-O-phosphono-D-mannitol","2022-04-27"],["ULU","~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]-3-[(azanylidene-$l^{4}-azanylidene)amino]propanamide","C29 H38 N15 O8","Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCNC(=O)CCN=[N]=N)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCNC(=O)CCN=[N]=N)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C29H38N15O8/c30-24-18-26(36-11-34-24)43(13-38-18)28-22(49)20(47)14(51-28)9-42(8-2-5-33-17(46)4-6-39-41-32)7-1-3-16-40-19-25(31)35-12-37-27(19)44(16)29-23(50)21(48)15(10-45)52-29/h11-15,20-23,28-29,32,45,47-50H,2,4-10H2,(H,33,46)(H2,30,34,36)(H2,31,35,37)/t14-,15+,20+,21+,22+,23+,28-,29-/m0/s1","","2023-09-06","2025-03-14","~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]-3-[(azanylidene-$l^{4}-azanylidene)amino]propanamide","2025-03-19"],["44I","6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy\nrrolidin-3-yl}naphthalene-2-sulfonamide","C27 H36 Cl N5 O4 S","Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CC3)C(C(=O)N4CC5CC(C4)CN(C5)CCNC)C;CNCCN1C[CH]2C[CH](C1)CN(C2)C(=O)[CH](C)N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O;CC(C(=O)N1CC2CC(C1)CN(C2)CCNC)N3CCC(C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl","InChI=1S/C27H36ClN5O4S/c1-18(26(34)32-16-19-11-20(17-32)15-31(14-19)10-8-29-2)33-9-7-25(27(33)35)30-38(36,37)24-6-4-21-12-23(28)5-3-22(21)13-24/h3-6,12-13,18-20,25,29-30H,7-11,14-17H2,1-2H3/t18-,19-,20+,25-/m0/s1","GTC000441","2015-02-13","2020-06-17","6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide","2015-09-30"],["ULV","4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide","C26 H22 F3 N7 O3","n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N;Nc1nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C(F)(F)F)c12)[CH]5CC[CH]6COC(=O)N6C5;c1cc(ccc1c2c3c(nccn3c(n2)C4CCC5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F","InChI=1S/C26H22F3N7O3/c27-26(28,29)17-7-8-31-19(11-17)33-24(37)15-3-1-14(2-4-15)20-21-22(30)32-9-10-35(21)23(34-20)16-5-6-18-13-39-25(38)36(18)12-16/h1-4,7-11,16,18H,5-6,12-13H2,(H2,30,32)(H,31,33,37)/t16-,18+/m1/s1","","2020-05-22","2020-07-17","4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide","2020-07-22"],["ULW","[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate","C22 H35 N O4","CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O;CC(C)CCCC(=CCCC(=CCOC(=O)CCN1C(=O)CCC1=O)C)C","InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-","","2021-03-01","2024-09-27","[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate","2021-09-22"],["44J","N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C21 H31 N9 O6 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5CC(n3c4ncnc(N)c4nc3)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3C[CH](CN[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)N","InChI=1S/C21H31N9O6S2/c22-19-16-20(24-8-23-19)30(9-25-16)12-5-10(17(32)18(12)33)6-26-38(35,36)29-14(31)4-2-1-3-13-15-11(7-37-13)27-21(34)28-15/h8-13,15,17-18,26,32-33H,1-7H2,(H,29,31)(H2,22,23,24)(H2,27,28,34)/t10-,11+,12-,13+,15+,17+,18-/m1/s1","","2015-02-04","2016-01-08","N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2016-01-13"],["44K","N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C21 H31 N9 O4 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5CCC(n3c4ncnc(N)c4nc3)C5;Nc1ncnc2n(cnc12)[CH]3CC[CH](CN[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)C3;c1nc(c2c(n1)n(cn2)C3CCC(C3)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)N","InChI=1S/C21H31N9O4S2/c22-19-18-20(24-10-23-19)30(11-25-18)13-6-5-12(7-13)8-26-36(33,34)29-16(31)4-2-1-3-15-17-14(9-35-15)27-21(32)28-17/h10-15,17,26H,1-9H2,(H,29,31)(H2,22,23,24)(H2,27,28,32)/t12-,13+,14+,15+,17+/m1/s1","","2015-02-04","2015-08-28","N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2015-09-02"],["ULX","[4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol","C29 H29 F3 N4 O3","FC(F)(F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)cc1[N+]([O-])=O;OCc1ccc(NC[C]2(CCN(Cc3c[nH]c4ccccc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)[N+]([O-])=O;c1ccc2c(c1)c(c[nH]2)CN3CCC(C3)(Cc4ccc(cc4)C(F)(F)F)CNc5ccc(cc5[N+](=O)[O-])CO","InChI=1S/C29H29F3N4O3/c30-29(31,32)23-8-5-20(6-9-23)14-28(18-34-26-10-7-21(17-37)13-27(26)36(38)39)11-12-35(19-28)16-22-15-33-25-4-2-1-3-24(22)25/h1-10,13,15,33-34,37H,11-12,14,16-19H2/t28-/m0/s1","","2022-08-23","2026-04-06","[4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol","2023-07-26"],["44L","2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","C20 H28 F N9 O6 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(F)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)F)N","InChI=1S/C20H28FN9O6S2/c21-13-16(32)10(36-19(13)30-8-25-15-17(22)23-7-24-18(15)30)5-26-38(34,35)29-12(31)4-2-1-3-11-14-9(6-37-11)27-20(33)28-14/h7-11,13-14,16,19,26,32H,1-6H2,(H,29,31)(H2,22,23,24)(H2,27,28,33)/t9-,10+,11-,13+,14-,16+,19+/m0/s1","","2015-02-04","2015-08-28","2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","2015-09-02"],["ULY","4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide","C28 H26 F3 N7 O3","n1ccn2c(c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)C(Nc6nccc(c6)C(F)(F)F)=O;COc1cc(ccc1c2nc([CH]3CC[CH]4CCC(=O)N4C3)n5ccnc(N)c25)C(=O)Nc6cc(ccn6)C(F)(F)F;COc1cc(ccc1c2c3c(nccn3c(n2)C4CCC5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F","InChI=1S/C28H26F3N7O3/c1-41-20-12-15(27(40)35-21-13-17(8-9-33-21)28(29,30)31)3-6-19(20)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/m1/s1","","2020-05-22","2020-07-17","4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide","2020-07-22"],["44M","2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","C20 H28 N12 O6 S2","[N-]=[N+]=N/C3C(C(CNS(NC(CCCCC2C1C(NC(N1)=O)CS2)=O)(=O)=O)OC3n5c4c(c(N)ncn4)nc5)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3N=[N+]=[N-];c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)N=[N+]=[N-])N","InChI=1S/C20H28N12O6S2/c21-17-15-18(24-7-23-17)32(8-25-15)19-14(29-31-22)16(34)10(38-19)5-26-40(36,37)30-12(33)4-2-1-3-11-13-9(6-39-11)27-20(35)28-13/h7-11,13-14,16,19,26,34H,1-6H2,(H,30,33)(H2,21,23,24)(H2,27,28,35)/t9-,10+,11-,13-,14+,16+,19+/m0/s1","","2015-02-04","2015-08-28","2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","2015-09-02"],["ULZ","4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine","C18 H19 Br N4 O","Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)c2c1;c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4","InChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2","","2021-03-02","2022-01-28","4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine","2022-02-02"],["44N","2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine","C21 H30 N8 O8 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)(C)C5O;C[C]1(O)[CH](O)[CH](CO[S](=O)(=O)NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)O[CH]1n4cnc5c(N)ncnc45;CC1(C(C(OC1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O","InChI=1S/C21H30N8O8S2/c1-21(33)16(31)11(37-19(21)29-9-25-15-17(22)23-8-24-18(15)29)6-36-39(34,35)28-13(30)5-3-2-4-12-14-10(7-38-12)26-20(32)27-14/h8-12,14,16,19,31,33H,2-7H2,1H3,(H,28,30)(H2,22,23,24)(H2,26,27,32)/t10-,11+,12-,14-,16+,19+,21+/m0/s1","","2015-02-04","2015-08-28","2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine","2015-09-02"],["UM0","(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid","C14 H24 N2 O9","O=C(O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C;C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C","InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6+,8+,9+,10+,11+,14-/m0/s1","","2009-03-24","2011-06-04","(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)",""],["44O","[(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate","C20 H29 N9 O6 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)CNC5;Nc1ncnc2n(cnc12)[CH]3CNC[CH](CO[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)O3;c1nc(c2c(n1)n(cn2)C3CNCC(O3)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)N","InChI=1S/C20H29N9O6S2/c21-18-17-19(24-9-23-18)29(10-25-17)15-6-22-5-11(35-15)7-34-37(32,33)28-14(30)4-2-1-3-13-16-12(8-36-13)26-20(31)27-16/h9-13,15-16,22H,1-8H2,(H,28,30)(H2,21,23,24)(H2,26,27,31)/t11-,12-,13-,15+,16-/m0/s1","","2015-02-04","2015-08-28","[(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate","2015-09-02"],["UM1","(2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid","C8 H15 N3 O4","O=C(NC(C(=O)O)C)C(NC(=O)CN)C;C[CH](NC(=O)[CH](C)NC(=O)CN)C(O)=O;CC(C(=O)NC(C)C(=O)O)NC(=O)CN","InChI=1S/C8H15N3O4/c1-4(10-6(12)3-9)7(13)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t4-,5-/m1/s1","glycyl-D-alanyl-D-alanine","2009-03-24","2020-06-17","glycyl-D-alanyl-D-alanine",""],["44P","5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE","C10 H16 N2 O11 P2","O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1","","2010-06-07","2011-06-04","5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine",""],["UM2","(2S)-2-amino-N-butyl-propanamide","C7 H16 N2 O","O=C(NCCCC)C(N)C;CCCCNC(=O)[CH](C)N;CCCCNC(=O)C(C)N","InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1","N-butyl-L-alaninamide","2009-03-24","2024-09-27","N-butyl-L-alaninamide",""],["44Q","3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","C20 H29 N9 O6 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(O)C5;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)C[CH]3O;c1nc(c2c(n1)n(cn2)C3C(CC(O3)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)N","InChI=1S/C20H29N9O6S2/c21-17-16-18(23-8-22-17)29(9-24-16)19-12(30)5-10(35-19)6-25-37(33,34)28-14(31)4-2-1-3-13-15-11(7-36-13)26-20(32)27-15/h8-13,15,19,25,30H,1-7H2,(H,28,31)(H2,21,22,23)(H2,26,27,32)/t10-,11-,12+,13-,15-,19+/m0/s1","","2015-02-04","2015-08-28","3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","2015-09-02"],["UM3","2'-DEOXYURIDINE 3'-MONOPHOSPHATE","C9 H13 N2 O8 P","O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO;OC[CH]1O[CH](C[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O","InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-3'-uridylic acid",""],["UM4","4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide","C30 H28 F3 N7 O3","n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N;Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)Nc5cc(ccn5)C(F)(F)F)c12)[CH]6CC[CH]7CCC(=O)N7C6;c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)C6CCC7CCC(=O)N7C6)N","InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1","","2020-05-22","2020-07-17","4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide","2020-07-22"],["44R","N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C18 H27 N9 O5 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCCOCn3c4ncnc(N)c4nc3;Nc1ncnc2n(COCCN[S](=O)(=O)NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)cnc12;c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCCC3C4C(CS3)NC(=O)N4)N","InChI=1S/C18H27N9O5S2/c19-16-15-17(21-8-20-16)27(9-22-15)10-32-6-5-23-34(30,31)26-13(28)4-2-1-3-12-14-11(7-33-12)24-18(29)25-14/h8-9,11-12,14,23H,1-7,10H2,(H,26,28)(H2,19,20,21)(H2,24,25,29)/t11-,12-,14-/m0/s1","","2015-02-04","2015-08-28","N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2015-09-02"],["UM5","N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide","C18 H19 N5 O2","CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3;CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3","InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24)","~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide","2021-03-02","2021-03-19","~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide","2021-03-24"],["44S","2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose","C6 H13 O8 P","O=P(O)(O)OCC(O)C1OC(O)CC1O;O[CH]1C[CH](O)[CH](O1)[CH](O)CO[P](O)(O)=O;C1C(C(OC1O)C(COP(=O)(O)O)O)O","InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1","tagatose-6-phosphate, bound form; 2-deoxy-6-O-phosphono-beta-D-lyxo-hexose; 2-deoxy-6-O-phosphono-D-lyxo-hexose;\n2-deoxy-6-O-phosphono-lyxo-hexose","2015-02-11","2024-09-27","2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose","2016-01-20"],["44T","7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C23 H32 N6 O3 S","CCc1ccncc1CNCCCCSCC1OC(n2ccc3c(N)ncnc32)C(O)C1O;CCc1ccncc1CNCCCCSC[CH]2O[CH]([CH](O)[CH]2O)n3ccc4c(N)ncnc34;CCc1ccncc1CNCCCCSCC2C(C(C(O2)n3ccc4c3ncnc4N)O)O","InChI=1S/C23H32N6O3S/c1-2-15-5-8-26-12-16(15)11-25-7-3-4-10-33-13-18-19(30)20(31)23(32-18)29-9-6-17-21(24)27-14-28-22(17)29/h5-6,8-9,12,14,18-20,23,25,30-31H,2-4,7,10-11,13H2,1H3,(H2,24,27,28)/t18-,19-,20-,23-/m1/s1","","2021-07-07","2021-08-06","7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2021-08-11"],["UM6","7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one","C18 H15 Cl F N3 O","F[CH]1CCN(C1)C2=NC(=O)N(c3ccccc3)c4cc(Cl)ccc24;c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CCC(C4)F)Cl","InChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1","","2023-02-07","2023-08-25","7-chloranyl-4-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one","2023-08-30"],["UM7","methyl (3S)-hexahydropyridazine-3-carboxylate","C6 H12 N2 O2","C1NNC(CC1)C(=O)OC;COC(=O)[CH]1CCCNN1;COC(=O)C1CCCNN1","InChI=1S/C6H12N2O2/c1-10-6(9)5-3-2-4-7-8-5/h5,7-8H,2-4H2,1H3/t5-/m0/s1","","2020-05-22","2020-06-19","methyl (3S)-hexahydropyridazine-3-carboxylate","2020-06-24"],["44U","beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide","C23 H29 N3 O2","O=C(NCCC)C3N(C(=O)C(N)C(c1ccccc1)c2ccccc2)CCC3;CCCNC(=O)[CH]1CCCN1C(=O)[CH](N)C(c2ccccc2)c3ccccc3;CCCNC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3ccccc3)N","InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1","","2008-06-02","2011-06-04","beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide",""],["44V","(6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one","C7 H11 N5 O","O=C1C2=C(N=C(N)N1)NCC(N2)C;C[CH]1CNC2=C(N1)C(=O)NC(=N2)N;CC1CNC2=C(N1)C(=O)NC(=N2)N","InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m0/s1","","2015-02-05","2016-02-19","(6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one","2016-02-24"],["UM8","2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide","C19 H19 N5 O","Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4CC4;Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4","InChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25)","~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide","2021-03-02","2021-03-19","~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide","2021-03-24"],["44W","2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one","C7 H9 N5 O","O=C1C=2N=C(CNC=2N=C(N)N1)C;CC1=NC2=C(NC1)N=C(N)NC2=O;CC1=NC2=C(NC1)N=C(NC2=O)N","InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)","","2015-02-05","2016-02-19","2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one","2016-02-24"],["UM9","2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","C14 H25 N O7","CC(=O)C(C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC(C)(C)C(C)=O;CC(=O)C(C)(C)COC1C(C(C(C(O1)CO)O)O)NC(=O)C","InChI=1S/C14H25NO7/c1-7(17)14(3,4)6-21-13-10(15-8(2)18)12(20)11(19)9(5-16)22-13/h9-13,16,19-20H,5-6H2,1-4H3,(H,15,18)/t9-,10-,11-,12-,13-/m1/s1","","2023-03-14","2023-05-19","2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside","2023-05-24"],["44X","6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline","C24 H22 F N5 O3","Fc4cc(cn1c4nnc1C(c3cc2cc(OCCOC)cnc2cc3)C)c5onc(c5)C;COCCOc1cnc2ccc(cc2c1)[CH](C)c3nnc4n3cc(cc4F)c5onc(C)c5;Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)c4ccc5c(c4)cc(cn5)OCCOC)F","InChI=1S/C24H22FN5O3/c1-14-8-22(33-29-14)18-11-20(25)24-28-27-23(30(24)13-18)15(2)16-4-5-21-17(9-16)10-19(12-26-21)32-7-6-31-3/h4-5,8-13,15H,6-7H2,1-3H3/t15-/m0/s1","","2015-02-05","2015-03-06","6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline","2015-03-11"],["UMA","URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE","C23 H36 N4 O20 P2","O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1","","1999-07-08","2024-09-27","(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)",""],["44Z","4-[[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one","C31 H33 Cl N4 O5","COc1cccc(c1)[CH]2N=C(N([CH]2c3ccc(Cl)cc3)C(=O)N4CCNC(=O)C4)c5ccc(OC)cc5OC(C)C;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC","InChI=1S/C31H33ClN4O5/c1-19(2)41-26-17-24(40-4)12-13-25(26)30-34-28(21-6-5-7-23(16-21)39-3)29(20-8-10-22(32)11-9-20)36(30)31(38)35-15-14-33-27(37)18-35/h5-13,16-17,19,28-29H,14-15,18H2,1-4H3,(H,33,37)/t28-,29+/m0/s1","","2015-03-15","2016-01-22","4-[[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one","2016-01-27"],["UMB","6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide","C19 H21 N3 O3","CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[CH]3C[CH](O)C3;CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O","InChI=1S/C19H21N3O3/c1-20-19(25)17-9-13(18(24)22-15-10-16(23)11-15)8-14(21-17)7-12-5-3-2-4-6-12/h2-6,8-9,15-16,23H,7,10-11H2,1H3,(H,20,25)(H,22,24)/t15-,16-","~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide","2021-03-02","2021-03-19","~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide","2021-03-24"],["UMC","2'-deoxy-5'-uridylic acid","C9 H15 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O;C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2012-08-03","2024-09-27","2'-deoxy-5'-uridylic acid","2012-08-24"],["450","{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE","C33 H38 N4 O3","OC2C(N(Cc1cccc(N)c1)C(O)N(C(C2O)Cc3ccccc3)Cc4cccc(N)c4)Cc5ccccc5;Nc1cccc(CN2[CH](O)N(Cc3cccc(N)c3)[CH](Cc4ccccc4)[CH](O)[CH](O)[CH]2Cc5ccccc5)c1;c1ccc(cc1)CC2C(C(C(N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O","InChI=1/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1","DMP450","1999-07-08","2008-10-14","(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol",""],["UME","N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide","C19 H21 N5 O","CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3ccccc3;CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C","InChI=1S/C19H21N5O/c1-4-20-19(25)15-10-16(13(2)14-8-6-5-7-9-14)21-17(11-15)18-12-24(3)23-22-18/h5-13H,4H2,1-3H3,(H,20,25)/t13-/m0/s1","~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide","2021-03-02","2021-04-02","~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide","2021-04-07"],["451","N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide","C22 H27 N O7","O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C;CC(=O)Nc1ccc2OCCOCCOc3ccccc3OCCOCCOc2c1;CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2","InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)","N-(Dibenzo-18-crown-6-ether)-acetamide","2009-01-28","2024-09-27","N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide",""],["UMF","2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE","C9 H12 F N2 O8 P","O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO;OC[CH]1O[CH]([CH](F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)F","InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE","2004-07-27","2021-03-13","2'-deoxy-2'-fluorouridine 3'-(dihydrogen phosphate)",""],["452","2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID","C17 H14 Cl F N2 O4","Fc1cc(C(=O)C)c(cc1Cl)NCC(=O)Nc2ccccc2C(=O)O;CC(=O)c1cc(F)c(Cl)cc1NCC(=O)Nc2ccccc2C(O)=O;CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F","InChI=1S/C17H14ClFN2O4/c1-9(22)11-6-13(19)12(18)7-15(11)20-8-16(23)21-14-5-3-2-4-10(14)17(24)25/h2-7,20H,8H2,1H3,(H,21,23)(H,24,25)","","2007-06-28","2011-06-04","2-{[N-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid",""],["453","(4S)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide","C26 H22 F N7 O3","Fc2ccc(cc2C(=O)NCc1ncccc1)C5NC(=O)NC(=C5C(=O)Nc3cc4c(cc3)nnc4)C;CC1=C([CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCc3ccccn3)C(=O)Nc4ccc5[nH]ncc5c4;CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5","InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)/t23-/m0/s1","","2015-02-06","2015-06-05","(4S)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide","2015-06-10"],["UMG","METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE","C34 H47 N3 O18","O=C5Oc4c(ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)CO)c4)C(=C5)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](NC(C)=O)[CH](O[CH]3CO)Oc4ccc5C(=CC(=O)Oc5c4)C;CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C","InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+/m1/s1","METHYLUMBELLIFERYL CHITOTRIOSE","1999-07-08","2020-06-17","4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside",""],["454","8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine","C18 H18 N4","N2=C(N)N1C(=NCCC1)C2(c3ccccc3)c4ccccc4;NC1=NC(c2ccccc2)(c3ccccc3)C4=NCCCN14;c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4","InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21)","","2009-07-28","2011-06-04","8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine",""],["UMH","6-methoxyquinoline-3-carboxylic acid","C11 H9 N O3","COc1ccc2ncc(cc2c1)C(O)=O;COc1ccc2c(c1)cc(cn2)C(=O)O","InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)","","2021-03-02","2021-06-25","6-methoxyquinoline-3-carboxylic acid","2021-06-30"],["455","(3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}","C23 H21 Cl F N5 O5 S","O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(Cl)cc3)CN(S(=O)(=O)N)C4;N[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4;c1cc(ccc1NC(=O)C2CN(CC2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl","InChI=1S/C23H21ClFN5O5S/c24-14-4-6-15(7-5-14)27-22(32)17-12-29(36(26,34)35)13-18(17)23(33)28-20-9-8-16(11-19(20)25)30-10-2-1-3-21(30)31/h1-11,17-18H,12-13H2,(H,27,32)(H,28,33)(H2,26,34,35)/t17-,18-/m0/s1","","2010-04-15","2011-06-04","(3R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-sulfamoylpyrrolidine-3,4-dicarboxamide",""],["UMI","[4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-2-nitrophenyl]methanol","C29 H29 F3 N4 O3","FC(F)(F)c1cccc(c1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)[N+]([O-])=O;OCc1ccc(NC[C]2(CCN(Cc3c[nH]c4ccccc34)C2)Cc5cccc(c5)C(F)(F)F)cc1[N+]([O-])=O;c1ccc2c(c1)c(c[nH]2)CN3CCC(C3)(Cc4cccc(c4)C(F)(F)F)CNc5ccc(c(c5)[N+](=O)[O-])CO","InChI=1S/C29H29F3N4O3/c30-29(31,32)23-5-3-4-20(12-23)14-28(18-34-24-9-8-21(17-37)27(13-24)36(38)39)10-11-35(19-28)16-22-15-33-26-7-2-1-6-25(22)26/h1-9,12-13,15,33-34,37H,10-11,14,16-19H2/t28-/m0/s1","","2022-08-23","2026-04-06","[4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-2-nitrophenyl]methanol","2023-07-26"],["456","N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide","C13 H15 N5 O2 S","O=C(Nc1nc3c(s1)CN(c2nc(OC)cnc2)CC3)C;COc1cncc(n1)N2CCc3nc(NC(C)=O)sc3C2;CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC","InChI=1S/C13H15N5O2S/c1-8(19)15-13-16-9-3-4-18(7-10(9)21-13)11-5-14-6-12(17-11)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,16,19)","","2015-02-06","2016-01-29","N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide","2016-02-03"],["UMJ","1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid","C15 H18 N2 O2","c2cccc(Cn1c(C(O)=O)cc(n1)C(C)(C)C)c2;CC(C)(C)c1cc(n(Cc2ccccc2)n1)C(O)=O;CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O","InChI=1S/C15H18N2O2/c1-15(2,3)13-9-12(14(18)19)17(16-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,19)","","2020-05-22","2020-08-07","1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid","2020-08-12"],["458","4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","C16 H20 O3","Oc1ccc(cc1)C2OCC3(CC=C(C2C3)C)CO;CC1=CC[C]2(CO)CO[CH]([CH]1C2)c3ccc(O)cc3;CC1=CCC2(CC1C(OC2)c3ccc(cc3)O)CO","InChI=1S/C16H20O3/c1-11-6-7-16(9-17)8-14(11)15(19-10-16)12-2-4-13(18)5-3-12/h2-6,14-15,17-18H,7-10H2,1H3/t14-,15+,16-/m0/s1","","2005-09-30","2011-06-04","4-[(1S,2S,5S)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol",""],["UMK","4-(4-BROMOPHENYL)PIPERIDIN-4-OL","C11 H14 Br N O","Brc1ccc(cc1)C2(O)CCNCC2;OC1(CCNCC1)c2ccc(Br)cc2;c1cc(ccc1C2(CCNCC2)O)Br","InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2","","2014-07-02","2015-02-27","4-(4-bromophenyl)piperidin-4-ol","2015-03-04"],["UML","Uridine 5'Diphospho N-acetyl muramoyl-L-Alanyl-D-Glutamyl-L-Lysine","C34 H55 N7 O24 P2","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C(OC3C(O)C(OC(OP(=O)(OP(=O)(OCC2OC(N1C=CC(=O)NC1=O)C(O)C2O)O)O)C3NC(=O)C)CO)C)C)CCCCN;C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(=O)N[CH](CCC(=O)N[CH](CCCCN)C(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)NC(CCCCN)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1","","2013-08-09","2014-09-05","(2S)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxybutanoyl]amino}-6-aminohexanoic acid (non-preferred name)","2013-10-02"],["459","4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","C17 H24 O3","Oc1ccc(cc1)C2OCC3(CCC(C2C3C)C)CO;C[CH]1CC[C]2(CO)CO[CH]([CH]1[CH]2C)c3ccc(O)cc3;CC1CCC2(COC(C1C2C)c3ccc(cc3)O)CO","InChI=1S/C17H24O3/c1-11-7-8-17(9-18)10-20-16(15(11)12(17)2)13-3-5-14(19)6-4-13/h3-6,11-12,15-16,18-19H,7-10H2,1-2H3/t11-,12+,15+,16+,17-/m0/s1","","2005-12-15","2011-06-04","4-[(1R,2S,5S,8S,9R)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-2-yl]phenol",""],["45A","5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine","C11 H16 N5 O6 P","O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C;C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1","","2015-02-09","2019-05-07","5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine","2015-11-18"],["UMM","tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate","C28 H42 N4 O7","CC(C)(OC(NC(C(=O)NC3Cc1cccc(c1)OCCCCOC(=O)C2CCCN(N2)C3=O)C(C)C)=O)C;CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N[CH]1Cc2cccc(OCCCCOC(=O)[CH]3CCC[N](N3)C1=O)c2;CC(C)C(C(=O)NC1Cc2cccc(c2)OCCCCOC(=O)C3CCCN(C1=O)N3)NC(=O)OC(C)(C)C","InChI=1S/C28H42N4O7/c1-18(2)23(30-27(36)39-28(3,4)5)24(33)29-22-17-19-10-8-11-20(16-19)37-14-6-7-15-38-26(35)21-12-9-13-32(31-21)25(22)34/h8,10-11,16,18,21-23,31H,6-7,9,12-15,17H2,1-5H3,(H,29,33)(H,30,36)/t21-,22-,23-/m0/s1","","2020-05-22","2020-06-19","tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate","2020-06-24"],["45B","4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide","C31 H29 Cl F N7 O3","O=C(N5CCN(C(=O)Cc4ccc(Nc3nc(Nc2ccc(C(=O)Nc1ccccc1Cl)cc2)c(F)cn3)cc4)CC5)C;CC(=O)N1CCN(CC1)C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)n3)cc2;CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F","InChI=1S/C31H29ClFN7O3/c1-20(41)39-14-16-40(17-15-39)28(42)18-21-6-10-24(11-7-21)36-31-34-19-26(33)29(38-31)35-23-12-8-22(9-13-23)30(43)37-27-5-3-2-4-25(27)32/h2-13,19H,14-18H2,1H3,(H,37,43)(H2,34,35,36,38)","","2009-04-15","2011-06-04","4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide",""],["UMN","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide","C29 H30 Cl N5 O4","OC[C]1(CCc2ccccc12)NC(=O)CN3Cc4ccc(cc4C3=O)c5nc(NC6CCOCC6)ncc5Cl;c1ccc2c(c1)CCC2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl","InChI=1S/C29H30ClN5O4/c30-24-14-31-28(32-21-8-11-39-12-9-21)33-26(24)19-5-6-20-15-35(27(38)22(20)13-19)16-25(37)34-29(17-36)10-7-18-3-1-2-4-23(18)29/h1-6,13-14,21,36H,7-12,15-17H2,(H,34,37)(H,31,32,33)/t29-/m1/s1","","2021-03-02","2021-10-01","2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide","2021-10-06"],["45C","4,5-dichlorobenzene-1,2-diol","C6 H4 Cl2 O2","Clc1cc(O)c(O)cc1Cl;Oc1cc(Cl)c(Cl)cc1O;c1c(c(cc(c1Cl)Cl)O)O","InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H","","2009-07-09","2011-06-04","4,5-dichlorobenzene-1,2-diol",""],["UMO","2'-F-4'-OMe U","C10 H14 F N2 O9 P","C2(N1C(NC(=O)C=C1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O;CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O;COC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O","InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1","[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl\ndihydrogen phosphate","2017-05-18","2020-06-17","[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","2017-10-04"],["45D","beta,beta-carotene-4,4'-dione","C40 H52 O2","O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C(=O)CCC1(C)C)C)C)C)C)C)C(C)(C)CC2)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C;CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C","InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+","Isomer of Canthaxanthin","2015-02-09","2020-06-17","beta,beta-carotene-4,4'-dione","2015-07-15"],["UMP","2'-DEOXYURIDINE 5'-MONOPHOSPHATE","C9 H13 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","DUMP","1999-07-08","2024-09-27","2'-deoxy-5'-uridylic acid",""],["45E","1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone","C22 H26 N2 O5","O=C(N2CCN(C(=O)c1cccc(OC)c1OC)CC2)COc3cc(ccc3)C;COc1cccc(C(=O)N2CCN(CC2)C(=O)COc3cccc(C)c3)c1OC;Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC","InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3","","2014-12-03","2015-02-27","1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone","2015-03-04"],["UMQ","UNDECYL-MALTOSIDE","C23 H44 O11","O(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1","UNDECYL-BETA-D-MALTOPYRANOSIDE","2002-09-09","2021-03-01","undecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["UMR","(1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C23 H26 Cl2 N4 O2 S","CN=[S](=O)(N1[CH]2CCC[CH]1C(=O)N(C[CH]2C=C)Cc3ccccn3)c4cc(Cl)cc(Cl)c4;CN=S(=O)(c1cc(cc(c1)Cl)Cl)N2C3CCCC2C(=O)N(CC3C=C)Cc4ccccn4","InChI=1S/C23H26Cl2N4O2S/c1-3-16-14-28(15-19-7-4-5-10-27-19)23(30)22-9-6-8-21(16)29(22)32(31,26-2)20-12-17(24)11-18(25)13-20/h3-5,7,10-13,16,21-22H,1,6,8-9,14-15H2,2H3/t16-,21+,22-,32-/m0/s1","","2023-02-08","2023-09-01","(1~{S},5~{S},6~{R})-10-[~{S}-[3,5-bis(chloranyl)phenyl]-~{N}-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2023-09-06"],["45F","(4S)-4-(prop-2-yn-1-yloxy)-L-proline","C8 H11 N O3","O=C(O)C1NCC(OCC#C)C1;OC(=O)[CH]1C[CH](CN1)OCC#C;C#CCOC1CC(NC1)C(=O)O","InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1","","2015-02-09","2024-09-27","(4S)-4-(prop-2-yn-1-yloxy)-L-proline","2015-02-25"],["UMS","2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE","C10 H15 N2 O8 P Se","O=C1NC(=O)N(C=C1)C2OC(C(O)C2[Se]C)COP(=O)(O)O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H15N2O8PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1","","2002-08-15","2011-06-04","2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)",""],["45H","beta,beta-carotene-4,4'-dione","C40 H52 O2","O=C1CCC(C)(C(=C1C)[C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(=[C@H]C=CC=C(C=CC=C(C=CC=2C(C)(CCC(=O)C=2C)C)C)C)C)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C;CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C","InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+","Isomer of Canthaxanthin","2015-02-09","2015-12-21","beta,beta-carotene-4,4'-dione","2015-07-15"],["UMT","4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine","C18 H20 N4 O","C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2;c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4","InChI=1S/C18H20N4O/c1-2-4-17-16(3-1)14(13-20-17)5-6-15-7-8-19-18(21-15)22-9-11-23-12-10-22/h1-4,7-8,13,20H,5-6,9-12H2","","2021-03-02","2022-01-28","4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine","2022-02-02"],["45I","2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID","C15 H16 N2 O6 S2","N[S](=O)(=O)c1ccc(C(O)=O)c(c1)[S](=O)(=O)NCCc2ccccc2;c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N","InChI=1S/C15H16N2O6S2/c16-24(20,21)12-6-7-13(15(18)19)14(10-12)25(22,23)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)(H2,16,20,21)","","2015-03-10","2015-04-03","2-(2-phenylethylsulfamoyl)-4-sulfamoyl-benzoic acid","2015-04-08"],["UMU","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","C26 H32 N12 O8","CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CCNC(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#CCOCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C26H32N12O8/c1-2-29-26(43)30-6-11-16(39)19(42)25(45-11)38-13(36-15-21(28)32-9-34-23(15)38)4-3-5-44-7-12-17(40)18(41)24(46-12)37-10-35-14-20(27)31-8-33-22(14)37/h8-12,16-19,24-25,39-42H,2,5-7H2,1H3,(H2,27,31,33)(H2,28,32,34)(H2,29,30,43)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1","","2023-09-06","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","2025-03-19"],["45J","4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol","C6 H6 B Cl N2 O S","ClC1=NN(B(O)c2sccc12)C;CN1N=C(Cl)c2ccsc2B1O;B1(c2c(ccs2)C(=NN1C)Cl)O","InChI=1S/C6H6BClN2OS/c1-10-7(11)5-4(2-3-12-5)6(8)9-10/h2-3,11H,1H3","","2015-02-10","2016-02-12","4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol","2016-02-17"],["45K","(8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one","C18 H13 N3 O3 S2","O=S2(=O)Cc1cc(ccc1C2)NC=C3/C(=O)Nc5c3c4scnc4cc5;O=C1Nc2ccc3ncsc3c2C1=CNc4ccc5C[S](=O)(=O)Cc5c4;c1cc2c(cc1NC=C3c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2","InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-","","2012-06-15","2013-05-03","(8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one","2013-05-08"],["UMV","methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate","C27 H23 N3 O6","c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC)ccc3)OCCN4C=CC(NC4=O)=O;COC(=O)Cc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N","InChI=1S/C27H23N3O6/c1-17-21-13-18(16-28)7-8-20(21)19(15-26(32)34-2)14-24(17)36-23-6-4-3-5-22(23)35-12-11-30-10-9-25(31)29-27(30)33/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,31,33)","","2020-05-25","2020-07-17","methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate","2020-07-22"],["45L","3-methylbenzohydrazide","C8 H10 N2 O","O=C(NN)c1cccc(c1)C;Cc1cccc(c1)C(=O)NN;Cc1cccc(c1)C(=O)NN","InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)","","2015-02-10","2016-02-12","3-methylbenzohydrazide","2016-02-17"],["UMW","1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol","C8 H18 N2 O","CC(C)(O)CN1CC[CH](N)C1;CC(C)(CN1CCC(C1)N)O","InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m0/s1","","2021-03-02","2021-03-05","1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol","2021-03-10"],["45M","4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide","C11 H12 Br N3 O","O=C(NNC1=NCCC1)c2ccc(Br)cc2;Brc1ccc(cc1)C(=O)NNC2=NCCC2;c1cc(ccc1C(=O)NNC2=NCCC2)Br","InChI=1S/C11H12BrN3O/c12-9-5-3-8(4-6-9)11(16)15-14-10-2-1-7-13-10/h3-6H,1-2,7H2,(H,13,14)(H,15,16)","","2015-02-10","2016-02-12","4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide","2016-02-17"],["UMX","[(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate","C12 H17 N2 O8 P","O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O;C[CH]1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=CC(=O)NC3=O;CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O","InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8+,9-,10+,12+/m0/s1","","2010-10-11","2011-06-04","[(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate",""],["45N","N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine","C13 H17 N O2","O1c2ccc(cc2OC1)CNC3CCCC3;C1CCC(C1)NCc2ccc3OCOc3c2;c1cc2c(cc1CNC3CCCC3)OCO2","InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2","","2015-02-10","2016-02-12","N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine","2016-02-17"],["UMY","7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile","C24 H18 F N3 O4","c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)F;Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(F)c4ccc(cc14)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N","InChI=1S/C24H18FN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)","","2020-05-25","2020-07-17","7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile","2020-07-22"],["45O","6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine","C13 H24 N6","n1c(nc(nc1N(C)C)N)CN2CC(CC(C2)C)C;C[CH]1C[CH](C)CN(C1)Cc2nc(N)nc(n2)N(C)C;CC1CC(CN(C1)Cc2nc(nc(n2)N(C)C)N)C","InChI=1S/C13H24N6/c1-9-5-10(2)7-19(6-9)8-11-15-12(14)17-13(16-11)18(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)/t9-,10+","","2015-02-10","2016-02-12","6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine","2016-02-17"],["UMZ","3-(2-pyrimidin-4-ylethyl)-1~{H}-indole","C14 H13 N3","C(Cc1c[nH]c2ccccc12)c3ccncn3;c1ccc2c(c1)c(c[nH]2)CCc3ccncn3","InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2","","2021-03-02","2022-01-28","3-(2-pyrimidin-4-ylethyl)-1~{H}-indole","2022-02-02"],["45P","3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE","C18 H13 Cl2 N7 O2","Clc1cc(cc(Cl)c1)CNC(=O)c2cc(ccc2)n3nc4nc(nc(O)c4n3)N;Nc1nc(O)c2nn(nc2n1)c3cccc(c3)C(=O)NCc4cc(Cl)cc(Cl)c4;c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl","InChI=1S/C18H13Cl2N7O2/c19-11-4-9(5-12(20)7-11)8-22-16(28)10-2-1-3-13(6-10)27-25-14-15(26-27)23-18(21)24-17(14)29/h1-7H,8H2,(H,22,28)(H3,21,23,24,26,29)","","2003-12-22","2011-06-04","3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)benzamide",""],["UN1","2-AMINOHEXANEDIOIC ACID","C6 H11 N O4","O=C(O)CCCC(N)C(=O)O;N[CH](CCCC(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)O","InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1","","2002-06-19","2024-09-27","(2S)-2-aminohexanedioic acid",""],["45Q","N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C23 H28 N6 O","c2(nnc(c1cc(c(N)cc1)C)c2)NC(c3ccc(cc3)CN4CCN(CC4)C)=O;CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3[nH]nc(c3)c4ccc(N)c(C)c4;Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C","InChI=1S/C23H28N6O/c1-16-13-19(7-8-20(16)24)21-14-22(27-26-21)25-23(30)18-5-3-17(4-6-18)15-29-11-9-28(2)10-12-29/h3-8,13-14H,9-12,15,24H2,1-2H3,(H2,25,26,27,30)","","2016-03-24","2016-05-13","N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2016-05-18"],["UN2","2-AMINO-4,4-DIHYDROXYBUTANOIC ACID","C4 H9 N O4","O=C(O)C(N)CC(O)O;N[CH](CC(O)O)C(O)=O;C(C(C(=O)O)N)C(O)O","InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2-3,6-7H,1,5H2,(H,8,9)/t2-/m0/s1","","2002-06-19","2024-09-27","4-hydroxy-L-homoserine",""],["UN3","(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID","C10 H11 N3 O3 S","O=S(=O)(O)Nc1cc(nn1C)c2ccccc2;Cn1nc(cc1N[S](O)(=O)=O)c2ccccc2;Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O","InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)","1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID","2005-12-01","2020-06-17","(1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid",""],["45R","7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium","C21 H23 N4 O2","O=C(c2c(OC)cc(c1cnnc1)cc2)Nc3cc4c(cc3)CC[NH2+]CC4;COc1cc(ccc1C(=O)Nc2ccc3CC[NH2+]CCc3c2)c4c[nH]nc4;COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4","InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)/p+1","","2014-05-13","2014-10-10","7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium","2014-10-15"],["45S","N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide","C19 H23 Cl N4 O2","C(c1ccc(C)n1)(=O)N2C(CCC2)C(=O)NCc3c(ccc(Cl)c3)CN;Cc1[nH]c(cc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CN;Cc1ccc([nH]1)C(=O)N2CCCC2C(=O)NCc3cc(ccc3CN)Cl","InChI=1S/C19H23ClN4O2/c1-12-4-7-16(23-12)19(26)24-8-2-3-17(24)18(25)22-11-14-9-15(20)6-5-13(14)10-21/h4-7,9,17,23H,2-3,8,10-11,21H2,1H3,(H,22,25)/t17-/m0/s1","","2015-02-26","2015-06-12","N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide","2015-06-17"],["UN4","5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE","C10 H12 N6 O2","O=C1NC(CC1)COc3nc(nc2c3ncn2)N;Nc1nc2[nH]cnc2c(OC[CH]3CCC(=O)N3)n1;c1[nH]c2c(n1)c(nc(n2)N)OCC3CCC(=O)N3","InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1","","2002-06-27","2011-06-04","(5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrrolidin-2-one",""],["UN5","{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID","C20 H24 N4 O8 S2","O=S(=O)(O)Nc1cccc(c1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(cc2)NS(=O)(=O)O)C3;CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CCc3cccc(N[S](O)(=O)=O)c3;CNC(=O)C1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O","InChI=1S/C20H24N4O8S2/c1-21-20(26)18-11-14-6-7-17(23-34(30,31)32)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(9-13)22-33(27,28)29/h2-4,6-7,9-10,18,22-23H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)(H,30,31,32)/t18-/m0/s1","","2005-12-01","2011-06-04","(3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydroisoquinolin-2(1H)-yl]-3-oxopropyl}phenyl)sulfamic acid",""],["45T","{[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)","C12 H21 N5 O9 P2","O=P(O)(O)CCOCC(Cn2c1N=C(N)NC(c1nc2)=O)OCCP(O)(O)=O;NC1=Nc2n(C[CH](COCC[P](O)(O)=O)OCC[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CC(COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)5-8(26-2-4-28(22,23)24)6-25-1-3-27(19,20)21/h7-8H,1-6H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/t8-/m0/s1","","2015-03-17","2015-05-15","{[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)","2015-05-20"],["45U","(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide","C20 H28 N4 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)COC2CCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)COC3CCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)COC3CCCC3)C(=N)N","InChI=1S/C20H28N4O3/c21-19(22)15-9-7-14(8-10-15)12-23-20(26)17-6-3-11-24(17)18(25)13-27-16-4-1-2-5-16/h7-10,16-17H,1-6,11-13H2,(H3,21,22)(H,23,26)/t17-/m0/s1","","2007-11-29","2012-01-05","N-(4-carbamimidoylbenzyl)-1-[(cyclopentyloxy)acetyl]-L-prolinamide",""],["UN6","(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID","C16 H19 N3 O7 S2","O=S(=O)(O)Nc1cc(ccc1)CNC(=O)CCc2cccc(NS(=O)(=O)O)c2;O[S](=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(N[S](O)(=O)=O)c2)c1;c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O","InChI=1S/C16H19N3O7S2/c20-16(8-7-12-3-1-5-14(9-12)18-27(21,22)23)17-11-13-4-2-6-15(10-13)19-28(24,25)26/h1-6,9-10,18-19H,7-8,11H2,(H,17,20)(H,21,22,23)(H,24,25,26)","","2005-12-02","2011-06-04","[3-(3-oxo-3-{[3-(sulfoamino)benzyl]amino}propyl)phenyl]sulfamic acid",""],["UN7","3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID","C21 H23 N3 O7 S","O=C(O)c1cc(ccc1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(cc2)NS(=O)(=O)O)C3;CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CCc3cccc(c3)C(O)=O;CNC(=O)C1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O","InChI=1S/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1","","2005-12-02","2011-06-04","3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydroisoquinolin-2(1H)-yl]-3-oxopropyl}benzoic acid",""],["45V","2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide","C15 H18 N2 O2","O=C(N(C)C)CC1c2ccccc2C=CN1C(=O)C;CN(C)C(=O)C[CH]1N(C=Cc2ccccc12)C(C)=O;CC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)C","InChI=1S/C15H18N2O2/c1-11(18)17-9-8-12-6-4-5-7-13(12)14(17)10-15(19)16(2)3/h4-9,14H,10H2,1-3H3/t14-/m0/s1","","2015-02-10","2016-02-12","2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide","2016-02-17"],["UN8","N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE","C27 H28 F N7 O4 S","O=S(=O)(c1ncn(c1)C)Nc2ccc(cc2)Cc4nc3N(C(=O)N(C(=O)c3n4)Cc5ccccc5F)CCCC;CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(N[S](=O)(=O)c5cn(C)cn5)cc4)nc13;CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F","InChI=1S/C27H28FN7O4S/c1-3-4-13-34-25-24(26(36)35(27(34)37)15-19-7-5-6-8-21(19)28)30-22(31-25)14-18-9-11-20(12-10-18)32-40(38,39)23-16-33(2)17-29-23/h5-12,16-17,32H,3-4,13-15H2,1-2H3,(H,30,31)","","2006-04-11","2011-06-04","N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide",""],["45W","(4S)-4-(ethynyloxy)-D-proline","C7 H9 N O3","O=C(O)C1NCC(OC#C)C1;OC(=O)[CH]1C[CH](CN1)OC#C;C#COC1CC(NC1)C(=O)O","InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1","","2015-02-10","2024-09-27","(4S)-4-(ethynyloxy)-D-proline","2015-05-13"],["UN9","N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE","C12 H9 Cl N2 O4","O=C(O)CNC(=O)c1nc(Cl)c2c(c1O)cccc2;OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O;c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O","InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)","","2006-06-15","2024-09-27","N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine",""],["45X","2-(pyridin-3-yl)ethanamine","C7 H10 N2","n1cccc(c1)CCN;NCCc1cccnc1;c1cc(cnc1)CCN","InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2","","2015-02-10","2016-02-12","2-(pyridin-3-yl)ethanamine","2016-02-17"],["45Y","2-(4-fluorophenyl)acetohydrazide","C8 H9 F N2 O","Fc1ccc(cc1)CC(=O)NN;NNC(=O)Cc1ccc(F)cc1;c1cc(ccc1CC(=O)NN)F","InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)","","2015-02-10","2016-02-12","2-(4-fluorophenyl)acetohydrazide","2016-02-17"],["UNA","UNDECANAL","C11 H22 O","O=CCCCCCCCCCC;CCCCCCCCCCC=O;CCCCCCCCCCC=O","InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3","","2000-03-13","2011-06-04","undecanal",""],["45Z","2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)","C20 H9 F N4 O6","[O-][N+](=O)c3ccc(Oc2ccc(F)cc2Oc1c(C#N)cc([N+]([O-])=O)cc1)c(C#N)c3;[O-][N+](=O)c1ccc(Oc2ccc(F)cc2Oc3ccc(cc3C#N)[N+]([O-])=O)c(c1)C#N;c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F","InChI=1S/C20H9FN4O6/c21-14-1-4-19(30-17-5-2-15(24(26)27)7-12(17)10-22)20(9-14)31-18-6-3-16(25(28)29)8-13(18)11-23/h1-9H","","2015-02-10","2015-03-27","2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)","2015-04-01"],["UNB","N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE","C27 H26 N4 O4 S","O=S(=O)(Nc1ccc(c(c1O)CC(=O)NCc2ccc(C(=[N@H])N)cc2)C)c4c3ccccc3ccc4;Cc1ccc(N[S](=O)(=O)c2cccc3ccccc23)c(O)c1CC(=O)NCc4ccc(cc4)C(N)=N;[H]N=C(c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)N","InChI=1S/C27H26N4O4S/c1-17-9-14-23(31-36(34,35)24-8-4-6-19-5-2-3-7-21(19)24)26(33)22(17)15-25(32)30-16-18-10-12-20(13-11-18)27(28)29/h2-14,31,33H,15-16H2,1H3,(H3,28,29)(H,30,32)","","2005-11-08","2011-06-04","N-(4-carbamimidoylbenzyl)-2-{2-hydroxy-6-methyl-3-[(naphthalen-1-ylsulfonyl)amino]phenyl}acetamide",""],["460","2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE","C17 H15 N5","n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C;Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3;Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4","InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3","NAPHTHYRIDINE INHIBITOR","2004-04-21","2021-03-01","2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine",""],["UNC","5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE","C4 H4 N4 O4","O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N;NC1=C(NC(=O)NC1=O)[N+]([O-])=O;C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N","InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)","5-AMINO 6-NITRO URACIL","2004-10-28","2020-06-17","5-amino-6-nitropyrimidine-2,4(1H,3H)-dione",""],["461","(E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE","C20 H23 Cl F N3 O3 S2","Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(cc1F)C(N(C)C)C)CC2)cc3;C[CH](N(C)C)c1ccc(N2CC[CH](N[S](=O)(=O)C=Cc3sc(Cl)cc3)C2=O)c(F)c1;CC(c1ccc(c(c1)F)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl)N(C)C","InChI=1S/C20H23ClFN3O3S2/c1-13(24(2)3)14-4-6-18(16(22)12-14)25-10-8-17(20(25)26)23-30(27,28)11-9-15-5-7-19(21)29-15/h4-7,9,11-13,17,23H,8,10H2,1-3H3/b11-9+/t13-,17+/m1/s1","","2009-11-16","2011-06-04","(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-{4-[(1R)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide",""],["UND","UNDECANE","C11 H24","C(CCCCCCCC)CC;CCCCCCCCCCC;CCCCCCCCCCC","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3","LIPID FRAGMENT","1999-09-17","2021-03-01","undecane",""],["462","N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide","C22 H22 Cl N3 O2 S","Clc3ccccc3c2scc(c1ccc(OCCC)cc1)c2CC(=O)NC(=[N@H])N;CCCOc1ccc(cc1)c2csc(c2CC(=O)NC(N)=N)c3ccccc3Cl;[H]N=C(N)NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC","InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)","","2007-09-11","2011-06-04","N-carbamimidoyl-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-3-yl]acetamide",""],["UNE","5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid","C10 H7 Br O4","O=C(O)c2oc1c(OC)cc(Br)cc1c2;COc1cc(Br)cc2cc(oc12)C(O)=O;COc1cc(cc2c1oc(c2)C(=O)O)Br","InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)","","2011-03-08","2011-06-04","5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid",""],["463","N-[3-(aminomethyl)phenyl]acetamide","C9 H12 N2 O","O=C(Nc1cc(ccc1)CN)C;CC(=O)Nc1cccc(CN)c1;CC(=O)Nc1cccc(c1)CN","InChI=1S/C9H12N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H,11,12)","","2015-02-10","2016-02-12","N-[3-(aminomethyl)phenyl]acetamide","2016-02-17"],["UNH","({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER","C35 H54 N6 O8","O=C(N)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCC(C)C)C2CCCCC2)CC(C)C)CCC;CCC[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[CH](C(N)=O)c2ccccc2;CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C2CCCCC2)NC(=O)OCC(C)C","InChI=1S/C35H54N6O8/c1-6-13-25(30(43)34(47)37-19-27(42)40-28(31(36)44)23-14-9-7-10-15-23)38-32(45)26(18-21(2)3)39-33(46)29(24-16-11-8-12-17-24)41-35(48)49-20-22(4)5/h7,9-10,14-15,21-22,24-26,28-29H,6,8,11-13,16-20H2,1-5H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,46)(H,40,42)(H,41,48)/t25-,26-,28-,29-/m0/s1","","2005-07-27","2024-09-27","N-[(1S)-1-{[(2-{[(1S)-2-amino-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-N~2~-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetyl]-L-leucinamide",""],["UNI","4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE","C28 H28 N2 O5 S","N#Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5;OC1=C([CH](C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4)C#N)c3)C(=O)OC5=C1CCCCCC5;c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)C(C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O","InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1","","1999-07-08","2011-06-04","4-cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide",""],["464","3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE","C28 H30 N6 O3","O=C(N)NC=1C=CC2=NC(=O)C(=C2C=1)Cc3cc(cn3)c4cccc(c4)C(=O)NCCN5CCCCC5;NC(=O)NC1=CC2=C(Cc3[nH]cc(c3)c4cccc(c4)C(=O)NCCN5CCCCC5)C(=O)N=C2C=C1;c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N","InChI=1S/C28H30N6O3/c29-28(37)32-21-7-8-25-23(15-21)24(27(36)33-25)16-22-14-20(17-31-22)18-5-4-6-19(13-18)26(35)30-9-12-34-10-2-1-3-11-34/h4-8,13-15,17,31H,1-3,9-12,16H2,(H,30,35)(H3,29,32,37)","","2007-04-04","2011-06-04","3-(5-{[5-(carbamoylamino)-2-oxo-2H-indol-3-yl]methyl}-1H-pyrrol-3-yl)-N-(2-piperidin-1-ylethyl)benzamide",""],["465","8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide","C13 H10 Cl N5 O2","Clc3c(N=C)c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N;CN1C(=O)c2cc(nc3c(N=C)c(Cl)c(N)c1c23)C(N)=O;CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O","InChI=1S/C13H10ClN5O2/c1-17-10-7(14)8(15)11-6-4(13(21)19(11)2)3-5(12(16)20)18-9(6)10/h3H,1,15H2,2H3,(H2,16,20)","","2012-01-09","2012-01-13","8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide",""],["UNJ","5-bromo-1-benzofuran-2-carboxylic acid","C9 H5 Br O3","O=C(O)c2oc1ccc(Br)cc1c2;OC(=O)c1oc2ccc(Br)cc2c1;c1cc2c(cc1Br)cc(o2)C(=O)O","InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)","","2011-03-08","2011-06-04","5-bromo-1-benzofuran-2-carboxylic acid",""],["466","N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide","C22 H19 N3 O2","CCOc1cccc(c1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2;CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4","InChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26)","","2021-06-28","2021-11-26","~{N}-[6-(3-ethoxyphenyl)-1~{H}-indazol-3-yl]benzamide","2021-12-01"],["UNK","UNKNOWN","C4 H9 N O2","O=C(O)C(N)CC;CC[CH](N)C(O)=O;CCC(C(=O)O)N","InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2023-11-03","(2S)-2-aminobutanoic acid",""],["467","N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide","C17 H15 Cl F4 N6 O","Fc1c(nc(nc1)c3c2cc(Cl)cnc2nc3)NC(C)(C)C(NCC(F)(F)F)=O;CC(C)(Nc1nc(ncc1F)c2c[nH]c3ncc(Cl)cc23)C(=O)NCC(F)(F)F;CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F","InChI=1S/C17H15ClF4N6O/c1-16(2,15(29)26-7-17(20,21)22)28-14-11(19)6-25-13(27-14)10-5-24-12-9(10)3-8(18)4-23-12/h3-6H,7H2,1-2H3,(H,23,24)(H,26,29)(H,25,27,28)","","2015-03-20","2015-08-07","N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide","2015-08-12"],["UNL","Unknown ligand","","","","","2008-04-10","2008-12-05","",""],["468","(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE","C18 H23 Cl N2 O2","Clc1cccc(c1C)NC(=O)C3CC(=O)N(C2CCCCC2)C3;Cc1c(Cl)cccc1NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2;Cc1c(cccc1Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3","InChI=1S/C18H23ClN2O2/c1-12-15(19)8-5-9-16(12)20-18(23)13-10-17(22)21(11-13)14-6-3-2-4-7-14/h5,8-9,13-14H,2-4,6-7,10-11H2,1H3,(H,20,23)/t13-/m0/s1","","2006-06-16","2011-06-04","(3S)-N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide",""],["UNM","7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid","C15 H17 Br N2 O3","O=C(O)c2oc1c(cc(Br)cc1c2)NC3CCC(N)CC3;N[CH]1CC[CH](CC1)Nc2cc(Br)cc3cc(oc23)C(O)=O;c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O","InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+","","2011-03-09","2011-06-04","7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid",""],["469","2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide","C27 H30 Cl F N4 O3","O=C(N(C)C)C(=O)c2c1cc(c(Cl)cc1n(c2)C)C(=O)N4CC(N(Cc3ccc(F)cc3)CC4C)C;C[CH]1CN([CH](C)CN1Cc2ccc(F)cc2)C(=O)c3cc4c(cc3Cl)n(C)cc4C(=O)C(=O)N(C)C;CC1CN(C(CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F","InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1","","2009-06-16","2011-06-04","2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide",""],["UNN","(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE","C23 H19 F2 N3","Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccccc3)cc4F;C[CH](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4;CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F","InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1","","1999-07-08","2011-06-04","6,7-difluoro-N-[(1S)-1-methyl-2,2-diphenylethyl]quinazolin-4-amine",""],["UNP","5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine","C9 H16 N3 O14 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O","InChI=1S/C9H16N3O14P3/c13-5-1-2-12(9(16)10-5)8-7(15)6(14)4(25-8)3-24-29(22,23)26-28(20,21)11-27(17,18)19/h1-2,4,6-8,14-15H,3H2,(H,22,23)(H,10,13,16)(H4,11,17,18,19,20,21)/t4-,6-,7-,8-/m1/s1","","2008-06-30","2013-07-12","5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine","2013-07-17"],["46A","N-butyl-4,6-dimethyl-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine","C24 H27 N7","n1c(nnn1)c2c(cccc2)c3ccc(cc3)CN(c4nc(cc(n4)C)C)CCCC;CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(C)cc(C)n4;CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C","InChI=1S/C24H27N7/c1-4-5-14-31(24-25-17(2)15-18(3)26-24)16-19-10-12-20(13-11-19)21-8-6-7-9-22(21)23-27-29-30-28-23/h6-13,15H,4-5,14,16H2,1-3H3,(H,27,28,29,30)","","2010-08-03","2011-06-04","N-butyl-4,6-dimethyl-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine",""],["UNQ","5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid","C19 H20 N4 O3","O=C(O)c2oc1ccc(cc1c2)c4nc(NC3CCC(N)CC3)cnc4;N[CH]1CC[CH](CC1)Nc2cncc(n2)c3ccc4oc(cc4c3)C(O)=O;c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O","InChI=1S/C19H20N4O3/c20-13-2-4-14(5-3-13)22-18-10-21-9-15(23-18)11-1-6-16-12(7-11)8-17(26-16)19(24)25/h1,6-10,13-14H,2-5,20H2,(H,22,23)(H,24,25)/t13-,14-","","2011-03-08","2011-06-04","5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid",""],["46B","{4-[6-BROMO-3-(BUTYLAMINO)IMIDAZO[1,2-A]PYRIDIN-2-YL]PHENOXY}ACETIC ACID","C19 H20 Br N3 O3","O=C(O)COc3ccc(c1nc2ccc(Br)cn2c1NCCCC)cc3;CCCCNc1n2cc(Br)ccc2nc1c3ccc(OCC(O)=O)cc3;CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O","InChI=1S/C19H20BrN3O3/c1-2-3-10-21-19-18(22-16-9-6-14(20)11-23(16)19)13-4-7-15(8-5-13)26-12-17(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,24,25)","","2011-12-15","2014-09-05","{4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid","2012-10-19"],["46C","4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid","C26 H20 Cl N O4","O=C(O)c1ccc(cc1)CN3C(=C(c2c(ccc(Cl)c2)C3=O)c4ccccc4)C(=O)CC;CCC(=O)C1=C(c2ccccc2)c3cc(Cl)ccc3C(=O)N1Cc4ccc(cc4)C(O)=O;CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4","InChI=1S/C26H20ClNO4/c1-2-22(29)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(30)28(24)15-16-8-10-18(11-9-16)26(31)32/h3-14H,2,15H2,1H3,(H,31,32)","","2007-11-28","2011-06-04","4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid",""],["UNR","3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium","C8 H14 N O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)Cc1ccc[n+](c1)C;C[n+]1cccc(CC(O)([P](O)(O)=O)[P](O)(O)=O)c1;C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1","","2011-05-12","2011-06-04","3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium",""],["UNS","7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile","C25 H20 F N3 O4","c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F)C;Cc1cc(Oc2ccc(F)cc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N;Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F","InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)","","2020-05-25","2020-07-17","7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile","2020-07-22"],["46D","(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID)","C15 H22 O14","O=C(O)C3OC(O)C(O)C(O)C3OC1OC2COC(OC2C(O)C1O)(C(=O)O)C;C[C]1(OC[CH]2O[CH](O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3C(O)=O)[CH](O)[CH](O)[CH]2O1)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)OC3C(C(C(OC3C(=O)O)O)O)O)O)O)C(=O)O","InChI=1S/C15H22O14/c1-15(14(23)24)25-2-3-8(29-15)5(17)7(19)13(26-3)28-9-4(16)6(18)12(22)27-10(9)11(20)21/h3-10,12-13,16-19,22H,2H2,1H3,(H,20,21)(H,23,24)/t3-,4-,5-,6-,7+,8-,9+,10+,12?,13+,15+/m1/s1","4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE-(1->4)-BETA-D-GLUCURONIC ACID","2005-04-11","2021-03-03","4-O-{4,6-O-[(1S)-1-carboxyethylidene]-beta-D-mannopyranosyl}-beta-D-glucopyranuronic acid",""],["UNT","(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid","C24 H24 N4 O3","O=C(O)C(n1nccn1)Cc2ccc(cc2)CCCc3nc(oc3C)c4ccccc4;Cc1oc(nc1CCCc2ccc(C[CH](n3nccn3)C(O)=O)cc2)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)CC(C(=O)O)n4nccn4","InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1","","2009-07-15","2011-06-04","(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid",""],["46E","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate","C33 H66 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC","InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1","","2015-02-10","2016-07-15","(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate","2016-07-20"],["46F","(2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide","C24 H23 Cl F3 N5 O5 S","O=S(=O)(c1ccc(OC(F)(F)F)cc1)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nnc(Cl)cc3)CC4;COc1ccc(CNC(=O)[CH]2CN(CCN2[S](=O)(=O)c3ccc(OC(F)(F)F)cc3)c4ccc(Cl)nn4)cc1;COc1ccc(cc1)CNC(=O)C2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl","InChI=1S/C24H23ClF3N5O5S/c1-37-17-4-2-16(3-5-17)14-29-23(34)20-15-32(22-11-10-21(25)30-31-22)12-13-33(20)39(35,36)19-8-6-18(7-9-19)38-24(26,27)28/h2-11,20H,12-15H2,1H3,(H,29,34)/t20-/m1/s1","","2011-02-12","2011-06-04","(2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide",""],["UNU","BENZAMIDE","C7 H7 N O","O=C(N)c1ccccc1;NC(=O)c1ccccc1;c1ccc(cc1)C(=O)N","InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)","","2007-04-20","2011-06-04","benzamide",""],["46G","6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline","C22 H17 F2 N5 O2","Fc4cc(cn1c4nnc1C(F)(c3cc2cc(OC)cnc2cc3)C)c5onc(c5)C;COc1cnc2ccc(cc2c1)[C](C)(F)c3nnc4n3cc(cc4F)c5onc(C)c5;Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)(c4ccc5c(c4)cc(cn5)OC)F)F","InChI=1S/C22H17F2N5O2/c1-12-6-19(31-28-12)14-9-17(23)20-26-27-21(29(20)11-14)22(2,24)15-4-5-18-13(7-15)8-16(30-3)10-25-18/h4-11H,1-3H3/t22-/m1/s1","","2015-02-10","2015-03-06","6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline","2015-03-11"],["UNV","6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)","C8 H11 N O6 P2","O=P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O;O[P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O;c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H11NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h1-3H,4-5H2,(H2,10,11,12)(H2,13,14,15)","","2011-05-20","2011-06-24","6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)",""],["46H","(3S)-piperidin-3-yl(piperidin-1-yl)methanone","C11 H20 N2 O","O=C(N1CCCCC1)C2CCCNC2;O=C([CH]1CCCNC1)N2CCCCC2;C1CCN(CC1)C(=O)C2CCCNC2","InChI=1S/C11H20N2O/c14-11(10-5-4-6-12-9-10)13-7-2-1-3-8-13/h10,12H,1-9H2/t10-/m0/s1","","2015-02-11","2016-02-12","(3S)-piperidin-3-yl(piperidin-1-yl)methanone","2016-02-17"],["UNW","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one","C29 H30 Cl N5 O3","Clc1cnc(NC2CCOCC2)nc1c3ccc4CN(CC(=O)N5CCCc6ccccc6C5)C(=O)c4c3;c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl","InChI=1S/C29H30ClN5O3/c30-25-15-31-29(32-23-9-12-38-13-10-23)33-27(25)20-7-8-22-17-35(28(37)24(22)14-20)18-26(36)34-11-3-6-19-4-1-2-5-21(19)16-34/h1-2,4-5,7-8,14-15,23H,3,6,9-13,16-18H2,(H,31,32,33)","ASTX029","2021-03-02","2021-10-01","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one","2021-10-06"],["46I","beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate","C6 H16 O18 P4","O[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O)O[P](O)(O)=O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H16O18P4/c7-3-5(23-27(14,15)16)4(22-26(11,12)13)2(1-20-25(8,9)10)21-6(3)24-28(17,18)19/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5-,6+/m1/s1","[(2S,3R,4R,5R,6R)-3-oxidanyl-2,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate","2023-07-12","2024-02-23","[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-oxidanyl-2,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate","2024-02-28"],["UNX","UNKNOWN ATOM OR ION","X","*","","","1999-07-08","2008-12-05","",""],["46J","(3R)-piperidin-3-yl(piperidin-1-yl)methanone","C11 H20 N2 O","O=C(N1CCCCC1)C2CCCNC2;O=C([CH]1CCCNC1)N2CCCCC2;C1CCN(CC1)C(=O)C2CCCNC2","InChI=1S/C11H20N2O/c14-11(10-5-4-6-12-9-10)13-7-2-1-3-8-13/h10,12H,1-9H2/t10-/m1/s1","","2015-02-11","2016-02-12","(3R)-piperidin-3-yl(piperidin-1-yl)methanone","2016-02-17"],["UNY","(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","C21 H23 F N2 O6 S","COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2;CC(CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C","InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m1/s1","","2018-11-09","2019-12-13","(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","2019-12-18"],["46K","N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide","C18 H14 N4 O4 S2","O=C(NS(=O)(=O)c1ccc(cc1)NC=C2/C(=O)Nc4c2c3scnc3cc4)C;CC(=O)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1;CC(=O)NS(=O)(=O)c1ccc(cc1)NC=C2c3c(ccc4c3scn4)NC2=O","InChI=1S/C18H14N4O4S2/c1-10(23)22-28(25,26)12-4-2-11(3-5-12)19-8-13-16-14(21-18(13)24)6-7-15-17(16)27-9-20-15/h2-9,19H,1H3,(H,21,24)(H,22,23)/b13-8-","","2011-07-13","2013-05-03","N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide","2013-05-08"],["UNZ","(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","C21 H23 F N2 O6 S","COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2;CC(CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C","InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m0/s1","","2018-11-12","2019-12-13","(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide","2019-12-18"],["46L","6-(dimethylamino)pyridine-3-carboxylic acid","C8 H10 N2 O2","O=C(O)c1cnc(N(C)C)cc1;CN(C)c1ccc(cn1)C(O)=O;CN(C)c1ccc(cn1)C(=O)O","InChI=1S/C8H10N2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5H,1-2H3,(H,11,12)","","2015-02-11","2016-02-12","6-(dimethylamino)pyridine-3-carboxylic acid","2016-02-17"],["UO1","N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide","C19 H18 N2 O3","CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)=O)cccc3;CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13;Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O","InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3","","2015-10-12","2015-10-23","N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide","2015-10-28"],["46M","(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID","C9 H14 O8","O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C;C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O","InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5+,6-,7-,9+/m1/s1","[4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE]","2005-04-11","2021-03-13","4,6-O-[(1S)-1-carboxyethylidene]-beta-D-mannopyranose",""],["UO2","(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide","C18 H21 N5 O3 S","C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1;CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N","InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1","","2021-03-02","2021-04-02","(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide","2021-04-07"],["46O","(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine","C12 H15 N O2","O1c2c(OCC1)cc(cc2)C3NCCC3;C1CN[CH](C1)c2ccc3OCCOc3c2;c1cc2c(cc1C3CCCN3)OCCO2","InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/t10-/m1/s1","","2015-02-11","2016-02-12","(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine","2016-02-17"],["UO3","4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol","C15 H21 N4 O S2","CCCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1;CCCCCCSC1=NC(=[N](C(=N1)S)Cc2cccnc2)O","InChI=1S/C15H21N4OS2/c1-2-3-4-5-9-22-13-17-14(20)19(15(21)18-13)11-12-7-6-8-16-10-12/h6-8,10H,2-5,9,11H2,1H3,(H2,17,18,20,21)","","2023-05-09","2023-06-09","4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol","2023-06-14"],["UO4","5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile","C28 H25 N3 O4","c1c(c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)OCCN5C=CC(NC5=O)=O;Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(CC4CC4)c5ccc(cc15)C#N;Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N","InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33)","","2020-05-25","2020-07-17","5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile","2020-07-22"],["46P","4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine","C8 H10 N4 S","n1c(c(sc1N)c2nccn2C)C;Cn1ccnc1c2sc(N)nc2C;Cc1c(sc(n1)N)c2nccn2C","InChI=1S/C8H10N4S/c1-5-6(13-8(9)11-5)7-10-3-4-12(7)2/h3-4H,1-2H3,(H2,9,11)","","2015-02-11","2016-02-12","4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine","2016-02-17"],["UO5","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one","C29 H30 Cl N5 O3","Clc1cnc(NC2CCOCC2)nc1c3ccc4CN(CC(=O)N5CCc6ccccc6CC5)C(=O)c4c3;c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl","InChI=1S/C29H30ClN5O3/c30-25-16-31-29(32-23-9-13-38-14-10-23)33-27(25)21-5-6-22-17-35(28(37)24(22)15-21)18-26(36)34-11-7-19-3-1-2-4-20(19)8-12-34/h1-6,15-16,23H,7-14,17-18H2,(H,31,32,33)","","2021-03-02","2021-10-01","6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one","2021-10-06"],["46Q","(2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine","C9 H20 N2 O","O1CCN(C(CN)(C)CC)CC1;CC[C](C)(CN)N1CCOCC1;CCC(C)(CN)N1CCOCC1","InChI=1S/C9H20N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-8,10H2,1-2H3/t9-/m1/s1","","2015-02-11","2016-02-12","(2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine","2016-02-17"],["46R","N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide","C6 H5 F3 N2 O2","O=C(NCC(F)(F)F)c1nocc1;FC(F)(F)CNC(=O)c1ccon1;c1conc1C(=O)NCC(F)(F)F","InChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-13-11-4/h1-2H,3H2,(H,10,12)","","2015-02-11","2016-02-12","N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide","2016-02-17"],["UO6","4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid","C14 H14 N3 O12 P S2","Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(c(n1)N=Nc2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O","InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+","Ppads","2023-06-10","2023-11-24","4-[(~{E})-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid","2023-11-29"],["46S","1-(6-methylpyrimidin-4-yl)azepane","C11 H17 N3","n1c(cc(nc1)C)N2CCCCCC2;Cc1cc(ncn1)N2CCCCCC2;Cc1cc(ncn1)N2CCCCCC2","InChI=1S/C11H17N3/c1-10-8-11(13-9-12-10)14-6-4-2-3-5-7-14/h8-9H,2-7H2,1H3","","2015-02-11","2016-02-12","1-(6-methylpyrimidin-4-yl)azepane","2016-02-17"],["UO7","(2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone","C28 H35 N5 O5","C(C)(C)C1C(=O)NC(C(=O)N4CCCC(C(=O)OC(c3cc2cc(C=CCC(N1)=O)ncc2cc3)C)N4)C;CC(C)[CH]1NC(=O)CC=Cc2cc3cc(ccc3cn2)[CH](C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1=O;CC1c2ccc3cnc(cc3c2)C=CCC(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C","InChI=1S/C28H35N5O5/c1-16(2)25-26(35)30-17(3)27(36)33-12-6-8-23(32-33)28(37)38-18(4)19-10-11-20-15-29-22(14-21(20)13-19)7-5-9-24(34)31-25/h5,7,10-11,13-18,23,25,32H,6,8-9,12H2,1-4H3,(H,30,35)(H,31,34)/b7-5+/t17-,18+,23-,25-/m0/s1","","2020-05-26","2020-06-19","(2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (non-preferred name)","2020-06-24"],["UO8","2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione","C11 H15 N5 S","NC1=NC(=S)c2ncn(C3CCCCC3)c2N1;c1nc2c(n1C3CCCCC3)NC(=NC2=S)N","InChI=1S/C11H15N5S/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,14,15,17)","","2021-03-03","2022-03-18","2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione","2022-03-23"],["46T","(1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine","C13 H20 N2","N(=C1/C(=N/C(C)C)/C=CC=CC1)C(C)C;CC(C)N=C1CC=CC=CC1=NC(C)C;CC(C)N=C1CC=CC=CC1=NC(C)C","InChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11H,9H2,1-4H3/b14-12+,15-13+","","2015-02-11","2016-02-12","(1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine","2016-02-17"],["UO9","(2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid","C24 H37 N3 O9 S2","CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)[S](=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O)c2ccccc2","InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22+,37-/m0/s1","","2022-08-23","2024-09-27","(1R,2S)-2-{[N-({2-[(S)-benzenesulfinyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-07"],["46U","(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide","C21 H30 N4 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)COC2CCCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)COC3CCCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)COC3CCCCC3)C(=N)N","InChI=1S/C21H30N4O3/c22-20(23)16-10-8-15(9-11-16)13-24-21(27)18-7-4-12-25(18)19(26)14-28-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1","","2007-11-29","2012-01-05","N-(4-carbamimidoylbenzyl)-1-[(cyclohexyloxy)acetyl]-L-prolinamide",""],["46V","1-(4-bromo-2-chlorophenyl)-3-methylthiourea","C8 H8 Br Cl N2 S","Brc1cc(Cl)c(NC(=S)NC)cc1;CNC(=S)Nc1ccc(Br)cc1Cl;CNC(=S)Nc1ccc(cc1Cl)Br","InChI=1S/C8H8BrClN2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)","","2015-02-11","2016-02-26","1-(4-bromo-2-chlorophenyl)-3-methylthiourea","2016-03-02"],["UOA","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","C11 H17 N2 O10 P","COC1C(OC(C1O)(OC)COP(O)(=O)O)N2C(NC(=O)C=C2)=O;CO[CH]1[CH](O)[C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O;COC1C(C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O","InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11-/m1/s1","","2018-04-06","2018-09-27","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","2018-08-29"],["UOB","2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate)","C11 H17 N2 O10 P","C1(OC(C(C1OC)O)(COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O;CO[CH]1[CH](O)[C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O;COC1C(C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O","InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11+/m1/s1","","2018-04-06","2018-08-24","[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)","2018-08-29"],["46W","4-methylpiperidine-1-carboximidamide","C7 H15 N3","[N@H]=C(N)N1CCC(C)CC1;CC1CCN(CC1)C(N)=N;CC1CCN(CC1)C(=N)N","InChI=1S/C7H15N3/c1-6-2-4-10(5-3-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)","","2015-02-11","2016-02-26","4-methylpiperidine-1-carboximidamide","2016-03-02"],["46X","3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile","C8 H11 N5","N#Cc2c(N1CCCC1)nnc2N;Nc1n[nH]c(N2CCCC2)c1C#N;C1CCN(C1)c2c(c(n[nH]2)N)C#N","InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)","","2015-02-11","2016-02-26","3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile","2016-03-02"],["UOC","undecan-2-one","C11 H22 O","O=C(CCCCCCCCC)C;CCCCCCCCCC(C)=O;CCCCCCCCCC(=O)C","InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3","","2008-11-12","2011-06-04","undecan-2-one",""],["46Y","4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile","C15 H22 N4 O","N#Cc1c(cc(nc1NCCCN2CCOCC2)C)C;Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1;Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C","InChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)","","2015-02-11","2016-02-12","4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile","2016-02-17"],["UOD","(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone","C30 H39 N5 O5","c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4;CC(C)[CH]1NC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[CH](C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1=O;CC1c2ccc3ccc(cc3n2)C=CC(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C)(C)C","InChI=1S/C30H39N5O5/c1-17(2)25-26(36)31-18(3)27(37)35-15-7-8-23(34-35)28(38)40-19(4)22-12-11-21-10-9-20(16-24(21)32-22)13-14-30(5,6)29(39)33-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,33,39)/b14-13+/t18-,19+,23-,25-/m0/s1","","2020-05-26","2020-06-19","(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name)","2020-06-24"],["46Z","(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate","C12 H16 F O7 P","O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2;O[CH]1O[CH](O[P](O)(=O)OCCc2ccccc2)[CH](O)[CH]1F;c1ccc(cc1)CCOP(=O)(O)OC2C(C(C(O2)O)F)O","InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1","Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form","2011-05-12","2024-09-27","(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate",""],["UOE","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide","C32 H39 Cl N8 O4","C[CH](N1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl)C(=O)N[CH](CO)c5cccc(n5)N6CCN(C)CC6;CC(C(=O)NC(CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl","InChI=1S/C32H39ClN8O4/c1-20(30(43)37-27(19-42)26-4-3-5-28(36-26)40-12-10-39(2)11-13-40)41-18-22-7-6-21(16-24(22)31(41)44)29-25(33)17-34-32(38-29)35-23-8-14-45-15-9-23/h3-7,16-17,20,23,27,42H,8-15,18-19H2,1-2H3,(H,37,43)(H,34,35,38)/t20-,27-/m1/s1","","2021-03-03","2021-10-01","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide","2021-10-06"],["470","(3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine","C28 H35 N","N(c1ccccc1)C23C(=C(/C(=C/CCC)CCC)CC3CCC2)c4ccccc4;CCCC=C(CCC)C1=C(c2ccccc2)[C]3(CCC[CH]3C1)Nc4ccccc4;CCCC=C(CCC)C1=C(C2(CCCC2C1)Nc3ccccc3)c4ccccc4","InChI=1S/C28H35N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h6-11,14-16,18-19,24,29H,3-5,12-13,17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1","","2010-11-16","2011-06-04","(3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine",""],["UOF","1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline","C18 H16 Cl2 N2 O3","OC(=O)C1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1c1ccccc1;OC(=O)[CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3;c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O","InChI=1S/C18H16Cl2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1","","2023-05-09","2023-06-09","1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline","2023-06-14"],["UOG","(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone","C30 H39 N5 O5","C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O;CC(C)[CH]1OC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[CH](C)NC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1=O;CC1c2ccc3ccc(cc3n2)C=CC(C(=O)OC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)N1)C)C(C)C)(C)C","InChI=1S/C30H39N5O5/c1-17(2)25-27(37)32-19(4)28(38)35-15-7-8-23(34-35)26(36)31-18(3)22-12-11-21-10-9-20(16-24(21)33-22)13-14-30(5,6)29(39)40-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,32,37)/b14-13+/t18-,19+,23+,25+/m1/s1","","2020-05-26","2020-06-19","(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name)","2020-06-24"],["471","N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE","C35 H36 F3 N3 O4","FC(F)(F)c1ccc(cc1)C(=O)C=C(/NC(CNC(=O)CC)Cc4ccc(OCCc2nc(oc2C)c3ccccc3)cc4)C;CCC(=O)NC[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)NC(C)=CC(=O)c4ccc(cc4)C(F)(F)F;CCC(=O)NCC(Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)NC(=CC(=O)c4ccc(cc4)C(F)(F)F)C","InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1","","2001-12-19","2011-06-04","N-[(2S)-2-({(1Z)-1-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]prop-1-en-1-yl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]propanamide",""],["472","(5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one","C20 H17 N5 O","O=C2N(C(=NC2(c1ccncc1)c4cccc(c3cccnc3)c4)N)C;CN1C(=N[C](c2ccncc2)(c3cccc(c3)c4cccnc4)C1=O)N;CN1C(=O)C(N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4","InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24)/t20-/m1/s1","","2009-08-17","2011-06-04","(5S)-2-amino-3-methyl-5-(pyridin-4-yl)-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one",""],["UOH","(2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide","C27 H26 Cl F N8 O4","COc1cc(F)cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl;CC(C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl","InChI=1S/C27H26ClFN8O4/c1-14(25(39)32-22(13-38)17-6-18(29)9-19(7-17)41-3)37-12-16-5-4-15(8-20(16)26(37)40)24-21(28)10-30-27(34-24)33-23-11-31-36(2)35-23/h4-11,14,22,38H,12-13H2,1-3H3,(H,32,39)(H,30,33,34,35)/t14-,22-/m1/s1","","2021-03-03","2021-10-01","(2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide","2021-10-06"],["UOI","3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide","C10 H9 N3 O2","Cc2cc(C(Nc1ccncc1)=O)on2;Cc1cc(on1)C(=O)Nc2ccncc2;Cc1cc(on1)C(=O)Nc2ccncc2","InChI=1S/C10H9N3O2/c1-7-6-9(15-13-7)10(14)12-8-2-4-11-5-3-8/h2-6H,1H3,(H,11,12,14)","","2016-03-24","2016-04-01","3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide","2016-04-06"],["474","(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE","C22 H30 F2 N6 O2","FC4(F)CCN(C(=O)C(N)C(C(=O)N(C)C)C3CCC(c1ccc2ncnn2c1)CC3)C4;CN(C)C(=O)[CH]([CH](N)C(=O)N1CCC(F)(F)C1)[CH]2CC[CH](CC2)c3ccc4ncnn4c3;CN(C)C(=O)C(C1CCC(CC1)c2ccc3ncnn3c2)C(C(=O)N4CCC(C4)(F)F)N","InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1","6-(4-{(1S,2S)-2-AMMONIO-3-(3,3-DIFLUOROPYRROLIDIN-1-YL)-1-[(DIMETHYLAMINO)CARBONYL] -3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-1-IUM","2007-09-05","2021-03-13","(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide",""],["475","N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine","C13 H17 N3 O7","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ncccc2;OC[CH]1O[CH](NC(=O)C(=O)Nc2ccccn2)[CH](O)[CH](O)[CH]1O;c1ccnc(c1)NC(=O)C(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H17N3O7/c17-5-6-8(18)9(19)10(20)13(23-6)16-12(22)11(21)15-7-3-1-2-4-14-7/h1-4,6,8-10,13,17-20H,5H2,(H,16,22)(H,14,15,21)/t6-,8-,9+,10-,13-/m1/s1","N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucosylamine; N-[oxo(pyridin-2-ylamino)acetyl]-D-glucosylamine;\nN-[oxo(pyridin-2-ylamino)acetyl]-glucosylamine","2008-04-23","2020-07-17","N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine",""],["UOJ","(2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone","C31 H39 N5 O5","C5(C1C(NC(C(N4CCCC(C(NC(c3ccc2c(cc(C=CC(C(=O)O1)(C)C)cc2)n3)C)=O)N4)=O)C)=O)CCC5;C[CH]1NC(=O)[CH](OC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[CH](C)NC(=O)[CH]4CCC[N](N4)C1=O)C5CCC5;CC1c2ccc3ccc(cc3n2)C=CC(C(=O)OC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)N1)C)C5CCC5)(C)C","InChI=1S/C31H39N5O5/c1-18-23-13-12-21-11-10-20(17-25(21)34-23)14-15-31(3,4)30(40)41-26(22-7-5-8-22)28(38)33-19(2)29(39)36-16-6-9-24(35-36)27(37)32-18/h10-15,17-19,22,24,26,35H,5-9,16H2,1-4H3,(H,32,37)(H,33,38)/b15-14+/t18-,19+,24+,26+/m1/s1","","2020-05-26","2020-06-19","(2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name)","2020-06-24"],["476","3-butyl-1-(2,2-diphosphonoethyl)pyridinium","C11 H20 N O6 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(c1)CCCC;CCCCc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1;CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C11H19NO6P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(19(13,14)15)20(16,17)18/h4,6-8,11H,2-3,5,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1","","2013-04-05","2014-02-28","3-butyl-1-(2,2-diphosphonoethyl)pyridinium","2014-03-05"],["UOK","2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile","C11 H10 N2 O","COc1ccc2[nH]cc(CC#N)c2c1;COc1ccc2c(c1)c(c[nH]2)CC#N","InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3","","2021-03-03","2021-06-25","2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile","2021-06-30"],["477","3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol","C19 H19 F2 N3 O S","FC(F)c3sc4c(c2cc1ccc(cc1n2)C(O)(CC)CC)nnc4c3;CCC(O)(CC)c1ccc2cc([nH]c2c1)c3[nH]nc4cc(sc34)C(F)F;CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O","InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)","","2012-01-05","2012-04-27","3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol",""],["UOL","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","C27 H35 N13 O7","CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CCNC(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#CCN(C)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C27H35N13O7/c1-3-30-27(45)31-7-12-17(41)20(44)26(46-12)40-14(37-16-22(29)33-10-35-24(16)40)5-4-6-38(2)8-13-18(42)19(43)25(47-13)39-11-36-15-21(28)32-9-34-23(15)39/h9-13,17-20,25-26,41-44H,3,6-8H2,1-2H3,(H2,28,32,34)(H2,29,33,35)(H2,30,31,45)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1","","2023-09-06","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","2025-03-19"],["478","{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER","C25 H35 N3 O6 S","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CCOC2)[S](=O)(=O)c3ccc(N)cc3;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOC2)O)S(=O)(=O)c3ccc(cc3)N","InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1","Amprenavir","1999-07-08","2020-06-17","(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",""],["UOM","6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile","C21 H24 N4 O","CC(C)c1ccc(cc1)CC(=O)N3CCN(c2ccc(cn2)C#N)CC3;CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(cn3)C#N)cc1;CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N","InChI=1S/C21H24N4O/c1-16(2)19-6-3-17(4-7-19)13-21(26)25-11-9-24(10-12-25)20-8-5-18(14-22)15-23-20/h3-8,15-16H,9-13H2,1-2H3","","2020-05-26","2021-11-19","6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile","2021-11-24"],["479","4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide","C15 H16 N2 O2 S","O=C(c1sccc1)CCC(=O)NC(c2cccnc2)C;C[CH](NC(=O)CCC(=O)c1sccc1)c2cccnc2;CC(c1cccnc1)NC(=O)CCC(=O)c2cccs2","InChI=1S/C15H16N2O2S/c1-11(12-4-2-8-16-10-12)17-15(19)7-6-13(18)14-5-3-9-20-14/h2-5,8-11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1","","2015-02-11","2016-02-12","4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide","2016-02-17"],["UON","4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde","C15 H11 Cl N2 O2","COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3;COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl","InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3","","2021-03-03","2024-09-27","4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde","2021-06-09"],["UOO","(3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C15 H24 Br N5 O14 P2","OC1C(COP(=O)(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c3nc2Br)OC(O)C1O;Nc1ncnc2n([CH](O)[CH](O)[CH](O)CCO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]3O)c(Br)nc12;c1nc(c2c(n1)n(c(n2)Br)C(C(C(CCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)O)O)O)O)O)O)N","InChI=1S/C15H24BrN5O14P2/c16-15-20-7-11(17)18-4-19-12(7)21(15)13(26)8(23)5(22)1-2-32-36(28,29)35-37(30,31)33-3-6-9(24)10(25)14(27)34-6/h4-6,8-10,13-14,22-27H,1-3H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6+,8-,9-,10+,13-,14-/m1/s1","","2022-08-23","2024-08-09","(3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2024-08-14"],["47A","2-amino-1-(4-bromophenyl)ethanone","C8 H8 Br N O","O=C(c1ccc(Br)cc1)CN;NCC(=O)c1ccc(Br)cc1;c1cc(ccc1C(=O)CN)Br","InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2","","2015-02-11","2016-02-26","2-amino-1-(4-bromophenyl)ethanone","2016-03-02"],["UOP","4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide","C19 H20 N6 O","CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C#N)CC3;CC(C)c1ccc(NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N)cc1;CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N","InChI=1S/C19H20N6O/c1-14(2)15-3-5-16(6-4-15)21-19(26)25-11-9-24(10-12-25)18-8-7-17(13-20)22-23-18/h3-9,11,14H,10,12H2,1-2H3,(H,21,26)","","2020-05-26","2021-11-19","4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide","2021-11-24"],["47B","3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine","C11 H6 F2 N4","Fc3ccc(c1nnc2nccn2c1)cc3F;Fc1ccc(cc1F)c2cn3ccnc3nn2;c1cc(c(cc1c2cn3ccnc3nn2)F)F","InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H","","2015-02-11","2016-02-26","3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine","2016-03-02"],["UOQ","undeca-2-one coenzyme A","C32 H56 N7 O17 P3 S","O=C(CCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-21(40)17-60-15-14-34-23(41)12-13-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-16-22-26(55-57(45,46)47)25(42)31(54-22)39-20-38-24-28(33)36-19-37-29(24)39/h19-20,22,25-27,31,42-43H,4-18H2,1-3H3,(H,34,41)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t22-,25+,26+,27+,31+/m1/s1","","2011-06-10","2014-07-25","[(2R,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxoundecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)","2014-07-30"],["47C","2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE)","C12 H18 N3 O8 P","O=C1N=C(NOC/C=C)C=CN1C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)NOCC=C;C=CCONC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C12H18N3O8P/c1-2-5-21-14-10-3-4-15(12(17)13-10)11-6-8(16)9(23-11)7-22-24(18,19)20/h2-4,8-9,11,16H,1,5-7H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,11+/m0/s1","","2010-08-10","2019-04-29","2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)",""],["UOR","2-chloro-5-(1H-pyrrol-1-yl)benzoic acid","C11 H8 Cl N O2","O=C(O)c1cc(ccc1Cl)n1cccc1;OC(=O)c1cc(ccc1Cl)n2cccc2;c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl","InChI=1S/C11H8ClNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h1-7H,(H,14,15)","","2023-05-09","2023-06-09","2-chloro-5-(1H-pyrrol-1-yl)benzoic acid","2023-06-14"],["47D","{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID","C14 H10 Cl N3 O4 S","O=C1C=CN(C(=O)N1Cc2nc3cc(Cl)ccc3s2)CC(=O)O;OC(=O)CN1C=CC(=O)N(Cc2sc3ccc(Cl)cc3n2)C1=O;c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O","InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)","","2007-04-16","2011-06-04","{3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}acetic acid",""],["47E","(2R)-(3-chlorophenyl)(hydroxy)ethanoic acid","C8 H7 Cl O3","Clc1cc(ccc1)C(O)C(=O)O;O[CH](C(O)=O)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(C(=O)O)O","InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1","","2015-02-11","2016-02-26","(2R)-(3-chlorophenyl)(hydroxy)ethanoic acid","2016-03-02"],["UOS","1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one","C19 H23 Cl N4 O","c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)CC3)Cl;CC(C)c1ccc(CC(=O)N2CCN(CC2)c3cnc(Cl)cn3)cc1;CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl","InChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)11-19(25)24-9-7-23(8-10-24)18-13-21-17(20)12-22-18/h3-6,12-14H,7-11H2,1-2H3","","2020-05-26","2021-11-19","1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one","2021-11-24"],["47F","N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]acetamide","C17 H15 N3 O S","CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2)n1;CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3)n2;CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3","InChI=1S/C17H15N3OS/c1-12(21)18-15-9-7-13(8-10-15)16-11-22-17(20-16)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20)","","2021-07-08","2022-04-22","N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]acetamide","2022-04-27"],["UOT","4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde","C15 H11 Cl N2 O2","COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1;COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O","InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3","","2021-03-03","2024-09-27","4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde","2021-06-09"],["47G","5-(aminomethyl)-2-methoxyphenol","C8 H11 N O2","Oc1cc(ccc1OC)CN;COc1ccc(CN)cc1O;COc1ccc(cc1O)CN","InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3","","2015-02-11","2016-02-26","5-(aminomethyl)-2-methoxyphenol","2016-03-02"],["UOU","1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine","C22 H22 Cl N O2","CNCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1;CNCc1ccc(cc1)OCc2ccccc2OCc3ccc(cc3)Cl","InChI=1S/C22H22ClNO2/c1-24-14-17-8-12-21(13-9-17)25-16-19-4-2-3-5-22(19)26-15-18-6-10-20(23)11-7-18/h2-13,24H,14-16H2,1H3","","2023-06-13","2023-08-25","1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-~{N}-methyl-methanamine","2023-08-30"],["47H","6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline","C13 H15 N O2","O1c3c(OC1)cc2NC(C=C(c2c3)C)(C)C;CC1=CC(C)(C)Nc2cc3OCOc3cc12;CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C","InChI=1S/C13H15NO2/c1-8-6-13(2,3)14-10-5-12-11(4-9(8)10)15-7-16-12/h4-6,14H,7H2,1-3H3","","2015-02-11","2016-02-12","6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline","2016-02-17"],["UOV","N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide","C21 H24 N2 O2","C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4;Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2;Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4","InChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24)","","2020-05-26","2020-10-16","N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide","2020-10-21"],["47I","4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol","C23 H23 N4 O","Oc1ccc(cc1)c2ccc3c([nH]nc3c4ccc(cc4)N5CC[NH2+]CC5)c2;c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5","InChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1","4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol (uncharged compound's name)","2021-06-28","2022-08-22","4-[3-(4-piperazin-4-ium-1-ylphenyl)-1~{H}-indazol-6-yl]phenol","2021-12-01"],["UOW","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide","C28 H31 Cl N6 O5","COc1cc(ccn1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl;CC(C(=O)NC(CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl","InChI=1S/C28H31ClN6O5/c1-16(26(37)33-23(15-36)17-5-8-30-24(12-17)39-2)35-14-19-4-3-18(11-21(19)27(35)38)25-22(29)13-31-28(34-25)32-20-6-9-40-10-7-20/h3-5,8,11-13,16,20,23,36H,6-7,9-10,14-15H2,1-2H3,(H,33,37)(H,31,32,34)/t16-,23-/m1/s1","","2021-03-03","2021-10-01","(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide","2021-10-06"],["47J","1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine","C6 H11 N3","n1c(cc(n1C)CN)C;Cn1nc(C)cc1CN;Cc1cc(n(n1)C)CN","InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3","","2015-02-11","2024-09-27","1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine","2016-03-02"],["UOX","3-(oxido-lambda~4~-selanyl)-L-alanine","C3 H6 N O3 Se","O=C(O)C(N)C[SeH]=O;N[CH](C[Se-]=O)C(O)=O;C(C(C(=O)O)N)[Se-]=O","InChI=1S/C3H6NO3Se/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1","","2013-06-13","2024-09-27","3-(oxido-lambda~4~-selanyl)-L-alanine",""],["47K","2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide","C14 H23 N3 O2","O=C(Nc1onc(c1)C(C)C)CN2CCC(C)CC2;CC1CCN(CC1)CC(=O)Nc2onc(c2)C(C)C;CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C","InChI=1S/C14H23N3O2/c1-10(2)12-8-14(19-16-12)15-13(18)9-17-6-4-11(3)5-7-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)","","2015-02-11","2016-02-12","2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide","2016-02-17"],["UOY","4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine","C19 H22 N2 O4","C(=O)(c1cnc(cc1)Oc2ccccc2)NC(C(=O)O)CC(C)(C)C;CC(C)(C)C[CH](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O;CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2","InChI=1S/C19H22N2O4/c1-19(2,3)11-15(18(23)24)21-17(22)13-9-10-16(20-12-13)25-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3,(H,21,22)(H,23,24)/t15-/m0/s1","","2020-05-26","2020-08-07","4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine","2020-08-12"],["UOZ","[(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C21 H27 N5 O13 P2","OC1C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncnc(N)c3nc2c2ccccc2)OC(O)C1O;Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)O3)c(nc12)c5ccccc5;c1ccc(cc1)c2nc3c(ncnc3n2C4CC(C(O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)O)O)O)O)N","InChI=1S/C21H27N5O13P2/c22-18-15-20(24-9-23-18)26(19(25-15)10-4-2-1-3-5-10)14-6-11(27)12(37-14)7-35-40(31,32)39-41(33,34)36-8-13-16(28)17(29)21(30)38-13/h1-5,9,11-14,16-17,21,27-30H,6-8H2,(H,31,32)(H,33,34)(H2,22,23,24)/t11-,12+,13+,14+,16+,17-,21+/m0/s1","","2022-08-23","2024-08-09","[(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2024-08-14"],["47L","N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide","C12 H21 N O2","O=C(NCC1OCCC1)C2CCCCC2;O=C(NC[CH]1CCCO1)C2CCCCC2;C1CCC(CC1)C(=O)NCC2CCCO2","InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)/t11-/m1/s1","","2015-02-11","2016-02-26","N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide","2016-03-02"],["47M","1-[5-(trifluoromethyl)furan-2-yl]methanamine","C6 H6 F3 N O","FC(F)(F)c1oc(cc1)CN;NCc1oc(cc1)C(F)(F)F;c1cc(oc1CN)C(F)(F)F","InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2","","2015-02-11","2016-02-26","1-[5-(trifluoromethyl)furan-2-yl]methanamine","2016-03-02"],["UP0","(1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid","C16 H22 O7","CCC[CH]1[CH](O)C(=O)C[CH](O)C(CC(=C1C(O)=O)C(O)=O)=CC;CCCC1C(C(=O)CC(C(=CC)CC(=C1C(=O)O)C(=O)O)O)O","InChI=1S/C16H22O7/c1-3-5-9-13(16(22)23)10(15(20)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3,(H,20,21)(H,22,23)/b8-4-,13-10-/t9-,11+,14+/m1/s1","","2023-02-08","2023-03-17","(1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid","2023-03-22"],["47N","NEOAGAROBIOSE","C12 H20 O10","O(C2OC1C(O)C(OC1)C2O)C3C(O)C(OC(O)C3O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O[CH]2O[CH]3CO[CH]([CH]3O)[CH]2O)[CH]1O;C1C2C(C(O1)C(C(O2)OC3C(C(OC(C3O)O)CO)O)O)O","InChI=1S/C12H20O10/c13-1-3-5(14)10(7(16)11(18)20-3)22-12-8(17)9-6(15)4(21-12)2-19-9/h3-18H,1-2H2/t3-,4+,5+,6-,7-,8+,9-,10+,11-,12+/m1/s1","","2012-02-21","2014-09-05","3-O-(3,6-anhydro-alpha-L-galactopyranosyl)-beta-D-galactopyranose",""],["UP1","URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE","C15 H23 F N2 O16 P2","O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O","InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8+,9+,10+,11+,12-,13-,14-/m1/s1","","2006-12-22","2011-06-04","[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["47P","2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one","C15 H19 N3 O","O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C;C[CH](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2;CC(C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2","InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1","","2015-02-11","2016-02-26","2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one","2016-03-02"],["UP2","UROPORPHYRINOGEN III","C40 H44 N4 O16","O=C(O)Cc1c(c5nc1Cc2nc(c(c2CCC(=O)O)CC(=O)O)Cc3c(c(c(n3)Cc4c(c(c(n4)C5)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O;OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC(O)=O)c(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CC(O)=O)c3CCC(O)=O;C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O","InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)","","2011-03-09","2011-06-04","3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid",""],["UP3","3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid","C40 H38 N4 O16","O=C(O)CC1=C(c3nc1cc5nc(cc2nc(C(=C2CC(=O)O)CCC(=O)O)cc4c(c(c(c3)n4)CC(=O)O)CCC(=O)O)c(c5CCC(=O)O)CC(=O)O)CCC(=O)O;OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(CCC(O)=O)c5CC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O;c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O","InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13?,26-13-,27-14-,28-15?,29-14-,30-15-,31-16-,32-16-","","2008-05-28","2011-06-04","3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid",""],["47Q","5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one","C13 H12 N4 O","O=C2Nc1ccc(cc1N2)NCc3ncccc3;O=C1Nc2ccc(NCc3ccccn3)cc2N1;c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3","InChI=1S/C13H12N4O/c18-13-16-11-5-4-9(7-12(11)17-13)15-8-10-3-1-2-6-14-10/h1-7,15H,8H2,(H2,16,17,18)","","2015-02-11","2016-02-26","5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one","2016-03-02"],["UP4","N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine","C15 H19 Cl2 N O3","C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(C)C;CC(C)(C)CC[CH](NC(=O)c1cc(Cl)cc(Cl)c1)C(O)=O;CC(C)(C)CCC(C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl","InChI=1S/C15H19Cl2NO3/c1-15(2,3)5-4-12(14(20)21)18-13(19)9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)(H,20,21)/t12-/m0/s1","","2020-05-26","2020-08-07","N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine","2020-08-12"],["47R","(1Z)-N,N-diethylethanimidamide","C6 H14 N2","[N@H]=C(N(CC)CC)C;CCN(CC)C(C)=N;CCN(CC)C(=N)C","InChI=1S/C6H14N2/c1-4-8(5-2)6(3)7/h7H,4-5H2,1-3H3/b7-6-","","2015-02-11","2016-02-26","(1Z)-N,N-diethylethanimidamide","2016-03-02"],["UP5","P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE","C19 H28 N7 O24 P5","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)O)O)N","InChI=1S/C19H28N7O24P5/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(46-18)4-44-52(35,36)48-54(39,40)50-55(41,42)49-53(37,38)47-51(33,34)43-3-7-11(28)13(30)17(45-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,20,21,22)(H,24,27,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate",""],["47S","3-(dimethylamino)benzohydrazide","C9 H13 N3 O","O=C(c1cc(N(C)C)ccc1)NN;CN(C)c1cccc(c1)C(=O)NN;CN(C)c1cccc(c1)C(=O)NN","InChI=1S/C9H13N3O/c1-12(2)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)","","2015-02-11","2016-02-26","3-(dimethylamino)benzohydrazide","2016-03-02"],["47T","(2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide","C12 H21 N O2","O=C(NC1CCC(C)CC1)C2OCCC2;C[CH]1CC[CH](CC1)NC(=O)[CH]2CCCO2;CC1CCC(CC1)NC(=O)C2CCCO2","InChI=1S/C12H21NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10-,11-/m1/s1","","2015-02-11","2016-02-26","(2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide","2016-03-02"],["UP6","6-AZA URIDINE 5'-MONOPHOSPHATE","C8 H12 N3 O9 P","O=C1N(N=CC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O;C1=NN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1","6-AZA-UMP","2000-02-02","2020-06-17","2-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione",""],["47U","N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide","C13 H16 N4 O","O=C(Nc1ncccc1)Cc2c(n(nc2C)C)C;Cn1nc(C)c(CC(=O)Nc2ccccn2)c1C;Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2","InChI=1S/C13H16N4O/c1-9-11(10(2)17(3)16-9)8-13(18)15-12-6-4-5-7-14-12/h4-7H,8H2,1-3H3,(H,14,15,18)","","2015-02-11","2016-02-26","N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide","2016-03-02"],["UP8","3-AMINOBENZENE-1,2-DICARBOXYLIC ACID","C8 H7 N O4","Nc1cccc(C(O)=O)c1C(O)=O;c1cc(c(c(c1)N)C(=O)O)C(=O)O","InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)","","2015-12-02","2015-12-18","3-azanylphthalic acid","2015-12-23"],["UP9","(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide","C28 H38 F N7 O3","O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O;CN1CCN(CC1)C(=O)[CH]2CCc3c(C2)[nH]c4c(cc(F)c(N5CCC[CH](C5)N6CCN(C)C6=O)c34)C(N)=O;CN1CCN(CC1)C(=O)C2CCc3c([nH]c4c3c(c(cc4C(=O)N)F)N5CCCC(C5)N6CCN(C6=O)C)C2","InChI=1S/C28H38FN7O3/c1-32-8-11-34(12-9-32)27(38)17-5-6-19-22(14-17)31-24-20(26(30)37)15-21(29)25(23(19)24)35-7-3-4-18(16-35)36-13-10-33(2)28(36)39/h15,17-18,31H,3-14,16H2,1-2H3,(H2,30,37)/t17-,18-/m0/s1","","2023-09-06","2024-01-26","(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide","2024-01-31"],["47V","2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide","C12 H12 N2 O2","O=C(c1cc(oc1C)C)Nc2ccncc2;Cc1oc(C)c(c1)C(=O)Nc2ccncc2;Cc1cc(c(o1)C)C(=O)Nc2ccncc2","InChI=1S/C12H12N2O2/c1-8-7-11(9(2)16-8)12(15)14-10-3-5-13-6-4-10/h3-7H,1-2H3,(H,13,14,15)","","2015-02-11","2016-02-26","2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide","2016-03-02"],["UPA","URIDYLYL-2'-5'-PHOSPHO-ADENOSINE","C19 H24 N7 O12 P","O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)NC5=O)CO)O)O)O)N","InChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-27)36-18(14)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)",""],["47W","1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium","C24 H27 N3 O2","O(c3c(ccc(OCC#Cc1cc2c(cc1)ccnc2)c3)C[NH+]4CC[NH2+]CC4)C;COc1cc(OCC#Cc2ccc3ccncc3c2)ccc1C[NH+]4CC[NH2+]CC4;COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3","InChI=1S/C24H25N3O2/c1-28-24-16-23(7-6-21(24)18-27-12-10-25-11-13-27)29-14-2-3-19-4-5-20-8-9-26-17-22(20)15-19/h4-9,15-17,25H,10-14,18H2,1H3/p+2","","2014-05-21","2014-10-17","1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium","2014-10-22"],["UPB","3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","CC=C1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;CC=C1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,29-15-/t19-/m1/s1","","2021-03-16","2021-08-20","3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(3~{Z},4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2021-08-25"],["47X","3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one","C15 H10 O5","Oc1ccc2C(=O)C(=COc2c1)c3ccc(O)c(O)c3;c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O","InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H","","2010-01-06","2011-06-04","3-(3,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one",""],["UPC","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine","C10 H17 N2 O13 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,13H,3-5H2,(H,16,17)(H,18,19)(H,11,14,15)(H2,20,21,22)/t6-,7+,9+/m0/s1","","2011-07-11","2011-10-07","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine",""],["47Y","3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine","C13 H20 N4 O","N1=CN(C(=[N@H])c2c(c(oc12)C)C)CCCN(C)C;CN(C)CCCN1C=Nc2oc(C)c(C)c2C1=N;Cc1c(oc2c1C(=N)N(C=N2)CCCN(C)C)C","InChI=1S/C13H20N4O/c1-9-10(2)18-13-11(9)12(14)17(8-15-13)7-5-6-16(3)4/h8,14H,5-7H2,1-4H3/b14-12+","","2015-02-11","2016-02-26","3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine","2016-03-02"],["UPD","1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide","C14 H19 N3 O3","N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O;COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1;CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC","InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19)","","2020-05-26","2024-09-27","1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide","2020-06-10"],["47Z","(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine","C7 H14 N4","CC(C)[CH](N)c1ncnn1C;CC(C)C(c1ncnn1C)N","InChI=1S/C7H14N4/c1-5(2)6(8)7-9-4-10-11(7)3/h4-6H,8H2,1-3H3/t6-/m0/s1","","2021-07-22","2022-07-15","(1~{S})-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine","2022-07-20"],["UPE","2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","C18 H22 N3 O9 P","O=P(O)(O)OCC3OC(N2C(=O)NC(=O)C(C(=O)NCCc1ccccc1)=C2)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3ccccc3)C(=O)NC2=O;c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C18H22N3O9P/c22-13-8-15(30-14(13)10-29-31(26,27)28)21-9-12(17(24)20-18(21)25)16(23)19-7-6-11-4-2-1-3-5-11/h1-5,9,13-15,22H,6-8,10H2,(H,19,23)(H,20,24,25)(H2,26,27,28)/t13-,14+,15+/m0/s1","","2012-11-07","2012-11-16","2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)","2012-11-16"],["480","(2S)-2,3-dihydroxypropyl octanoate","C11 H22 O4","O=C(OCC(O)CO)CCCCCCC;CCCCCCCC(=O)OC[CH](O)CO;CCCCCCCC(=O)OCC(CO)O","InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3/t10-/m0/s1","","2015-02-11","2015-04-03","(2S)-2,3-dihydroxypropyl octanoate","2015-04-08"],["UPF","URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE","C15 H23 F N2 O16 P2","O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O","InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1","URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER","2000-11-30","2020-06-17","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["481","4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide","C35 H37 N7 O2","O=C(N1CCN(C)CC1)c6ccc(Nc5nc(c3cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c3)cn4ccnc45)cc6;CN1CCN(CC1)C(=O)c2ccc(Nc3nc(cn4ccnc34)c5cccc(NC(=O)c6ccc(cc6)C(C)(C)C)c5)cc2;CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C","InChI=1S/C35H37N7O2/c1-35(2,3)27-12-8-24(9-13-27)33(43)38-29-7-5-6-26(22-29)30-23-42-17-16-36-32(42)31(39-30)37-28-14-10-25(11-15-28)34(44)41-20-18-40(4)19-21-41/h5-17,22-23H,18-21H2,1-4H3,(H,37,39)(H,38,43)","","2014-02-19","2014-05-09","4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide","2014-05-14"],["482","3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide","C10 H15 N O4","O=C1OCCC1NC(=O)CC(=O)CCC;CCCC(=O)CC(=O)N[CH]1CCOC1=O;CCCC(=O)CC(=O)NC1CCOC1=O","InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1","","2015-02-11","2015-04-03","3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide","2015-04-08"],["UPG","URIDINE-5'-DIPHOSPHATE-GLUCOSE","C15 H24 N2 O17 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O;OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1","URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER","1999-07-08","2024-09-27","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["UPH","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol","C24 H38 N4 O7","OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC2;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N3[CH]4CC[CH]3COC4;c1cc(c(cc1N2C3CCC2COC3)[N+](=O)[O-])NCCCCCCN4CC(C(C(C4CO)O)O)O","InChI=1S/C24H38N4O7/c29-13-21-23(31)24(32)22(30)12-26(21)10-4-2-1-3-9-25-19-8-7-16(11-20(19)28(33)34)27-17-5-6-18(27)15-35-14-17/h7-8,11,17-18,21-25,29-32H,1-6,9-10,12-15H2/t17-,18+,21-,22+,23-,24-/m1/s1","","2022-08-23","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol","2023-02-22"],["483","2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide","C12 H19 N3 O","O=C(NC1CCC(C)CC1)Cn2ccnc2;C[CH]1CC[CH](CC1)NC(=O)Cn2ccnc2;CC1CCC(CC1)NC(=O)Cn2ccnc2","InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)/t10-,11-","","2015-02-11","2016-02-26","2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide","2016-03-02"],["UPI","3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid","C40 H38 N4 O16","OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O;c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O","InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-","uroporphyrin I","2023-02-01","2024-01-26","3-[(1~{Z},9~{Z})-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid","2024-01-31"],["484","3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol","C31 H40 O3","OCc1cc(ccc1CO)CCc3ccc(c(c2ccc(cc2CCC)C(O)(CC)CC)c3)C;CCCc1cc(ccc1c2cc(CCc3ccc(CO)c(CO)c3)ccc2C)C(O)(CC)CC;CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O","InChI=1S/C31H40O3/c1-5-8-25-19-28(31(34,6-2)7-3)15-16-29(25)30-18-24(10-9-22(30)4)12-11-23-13-14-26(20-32)27(17-23)21-33/h9-10,13-19,32-34H,5-8,11-12,20-21H2,1-4H3","","2012-07-13","2012-09-21","3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol","2012-09-21"],["UPJ","1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide","C15 H20 N2 O2","N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O;CN(C(=O)C1CCN(CC1)C(C)=O)c2ccccc2;CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2","InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3","","2020-05-26","2024-09-27","1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide","2020-06-10"],["485","[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID","C17 H24 N2 O8","O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C;C[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](NC(=O)[CH](N)Cc2ccc(O)cc2)C(O)=O;CC1C(C(C(C(O1)C(C(=O)O)NC(=O)C(Cc2ccc(cc2)O)N)O)O)O","InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1","SB-284485","2001-07-05","2021-03-01","3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid",""],["UPK","2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol","C16 H12 N2 O2","Oc1cc(ccc1C=O)n2ccnc2c3ccccc3;c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O","InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H","","2021-03-04","2024-09-27","2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde","2021-06-16"],["486","11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE","C29 H35 N O2","O=C5C=C4C(=C3C(c1ccc(N(C)C)cc1)CC2(C(CCC2(C#CC)O)C3CC4)C)CC5;CC#C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3[CH](C[C]12C)c5ccc(cc5)N(C)C;CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)c5ccc(cc5)N(C)C)C)O","InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1","RU-486; MIFEPRISTONE","2002-12-27","2020-05-26","(11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one",""],["487","6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine","C13 H24 N6","n1c(nc(nc1C(N2CCCCCC2)C)N(C)C)N;C[CH](N1CCCCCC1)c2nc(N)nc(n2)N(C)C;CC(c1nc(nc(n1)N(C)C)N)N2CCCCCC2","InChI=1S/C13H24N6/c1-10(19-8-6-4-5-7-9-19)11-15-12(14)17-13(16-11)18(2)3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1","","2015-02-11","2016-02-26","6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine","2016-03-02"],["UPL","UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID","C34 H70","C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCCC;CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC;CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC","InChI=1S/C34H70/c1-4-7-10-13-16-18-19-21-24-27-30-33-34(31-28-25-22-15-12-9-6-3)32-29-26-23-20-17-14-11-8-5-2/h34H,4-33H2,1-3H3","UNKNOWN PHOSPHOLIPID FRAGMENT","2002-06-13","2020-06-17","12-nonylpentacosane",""],["UPM","URIDINE-5'-DIPHOSPHATE-N-1-HYDROOXY-ETHANOYL MURAMAIC ACID","C20 H31 N3 O20 P2","O=P(OC1OC(C(O)C(OC(C(=O)O)C)C1NC(=O)CO)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(=O)CO)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO","InChI=1S/C20H31N3O20P2/c1-7(18(31)32)39-16-12(21-11(27)5-25)19(41-8(4-24)14(16)29)42-45(36,37)43-44(34,35)38-6-9-13(28)15(30)17(40-9)23-3-2-10(26)22-20(23)33/h2-3,7-9,12-17,19,24-25,28-30H,4-6H2,1H3,(H,21,27)(H,31,32)(H,34,35)(H,36,37)(H,22,26,33)/t7-,8-,9-,12-,13-,14-,15-,16-,17-,19-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-{[(2R,3R,4R,5S,6R)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-3-[(hydroxyacetyl)amino]-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid (non-preferred name)",""],["488","(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid","C14 H16 N2 O3 S2","O=C(O)C1N(C)C(SC1)C2N=C(SC2)c3ccccc3O;CN1[CH](CS[CH]1[CH]2CSC(=N2)c3ccccc3O)C(O)=O;CN1C(CSC1C2CSC(=N2)c3ccccc3O)C(=O)O","InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1","Pyochelin","2011-10-11","2020-06-17","(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid",""],["UPN","2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid","C20 H29 N3 O19 P2","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(=C)C(=O)O)C3NC(=O)C)CO)O)O;CC(=O)N[CH]1[CH](O[CH](CO)[CH](O)[CH]1OC(=C)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O","InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14+,15-,16-,17-,19-/m1/s1","","2011-08-01","2012-03-02","2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid (non-preferred name)",""],["489","(1S)-2-amino-1-(4-fluorophenyl)ethanol","C8 H10 F N O","Fc1ccc(cc1)C(O)CN;NC[CH](O)c1ccc(F)cc1;c1cc(ccc1C(CN)O)F","InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1","","2015-02-12","2016-02-26","(1S)-2-amino-1-(4-fluorophenyl)ethanol","2016-03-02"],["UPO","4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine","C22 H24 N4 O3","COc1cccc(c1)c2cc(nc(N)n2)N3CCc4cc(OC)c(OC)cc4C3;COc1cccc(c1)c2cc(nc(n2)N)N3CCc4cc(c(cc4C3)OC)OC","InChI=1S/C22H24N4O3/c1-27-17-6-4-5-15(9-17)18-12-21(25-22(23)24-18)26-8-7-14-10-19(28-2)20(29-3)11-16(14)13-26/h4-6,9-12H,7-8,13H2,1-3H3,(H2,23,24,25)","","2023-06-14","2024-03-22","4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine","2024-03-27"],["48B","2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide","C23 H17 Cl F N5 O2","Clc1ccccc1C(=O)Nc2ccc(cc2)Nc3nc(ncc3F)Nc4ccc(O)cc4;Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1;c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl","InChI=1S/C23H17ClFN5O2/c24-19-4-2-1-3-18(19)22(32)28-15-7-5-14(6-8-15)27-21-20(25)13-26-23(30-21)29-16-9-11-17(31)12-10-16/h1-13,31H,(H,28,32)(H2,26,27,29,30)","","2009-04-15","2011-06-04","2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide",""],["48C","5'-(D-alanylamino)-5'-deoxyuridine","C12 H18 N4 O6","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CNC(=O)C(N)C;C[CH](N)C(=O)NC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;CC(C(=O)NCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)N","InChI=1S/C12H18N4O6/c1-5(13)10(20)14-4-6-8(18)9(19)11(22-6)16-3-2-7(17)15-12(16)21/h2-3,5-6,8-9,11,18-19H,4,13H2,1H3,(H,14,20)(H,15,17,21)/t5-,6-,8-,9-,11-/m1/s1","","2015-02-12","2015-09-11","5'-(D-alanylamino)-5'-deoxyuridine","2015-09-16"],["UPP","PHENYL-URIDINE-5'-DIPHOSPHATE","C15 H18 N2 O12 P2","O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O;c1ccc(cc1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O","InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]uridine",""],["UPQ","4-(4-methylimidazol-1-yl)benzaldehyde","C11 H10 N2 O","Cc1cn(cn1)c2ccc(C=O)cc2;Cc1cn(cn1)c2ccc(cc2)C=O","InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3","","2021-03-04","2024-09-27","4-(4-methylimidazol-1-yl)benzaldehyde","2021-06-16"],["48D","(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one","C17 H28 O3","CO[CH]1C=CCCCCC(=O)CCC(=C[CH](C)[CH]1O)C;CC1C=C(CCC(=O)CCCCC=CC(C1O)OC)C","InChI=1S/C17H28O3/c1-13-10-11-15(18)8-6-4-5-7-9-16(20-3)17(19)14(2)12-13/h7,9,12,14,16-17,19H,4-6,8,10-11H2,1-3H3/b9-7+,13-12+/t14-,16-,17-/m0/s1","","2010-02-04","2011-06-04","(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethyl-cyclotetradeca-4,9-dien-1-one",""],["48E","5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine","C20 H22 N6 O7","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CNC(=O)C(n4nnc(c3ccccc3)c4)CO;OC[CH](n1cc(nn1)c2ccccc2)C(=O)NC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O;c1ccc(cc1)c2cn(nn2)C(CO)C(=O)NCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O","InChI=1S/C20H22N6O7/c27-10-13(26-9-12(23-24-26)11-4-2-1-3-5-11)18(31)21-8-14-16(29)17(30)19(33-14)25-7-6-15(28)22-20(25)32/h1-7,9,13-14,16-17,19,27,29-30H,8,10H2,(H,21,31)(H,22,28,32)/t13-,14-,16-,17-,19-/m1/s1","","2015-02-12","2015-09-11","5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine","2015-09-16"],["UPR","2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOPHOSPHORANE-TRIPHOSPHATE","C9 H18 N3 O14 P3","P(O)(O)(O)(NP(=O)(O)OP(=O)(O)O)OCC1OC(CC1O)N2C(=O)NC(=O)C=C2;O[CH]1C[CH](O[CH]1CO[P](O)(O)(O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(NP(=O)(O)OP(=O)(O)O)(O)(O)O)O","InChI=1S/C9H18N3O14P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)25-6(5)4-24-29(21,22,23)11-27(16,17)26-28(18,19)20/h1-2,5-6,8,13,21-23H,3-4H2,(H,10,14,15)(H2,11,16,17)(H2,18,19,20)/t5-,6+,8+/m0/s1","","2003-12-26","2018-09-25","2'-deoxy-5'-O-[(3R)-1,1,1,3-tetrahydroxy-3-oxo-3-(phosphonooxy)-1lambda~5~,3lambda~5~-diphosphazan-1-yl]uridine",""],["UPS","2'-deoxy-5'-O-thiophosphonouridine","C9 H13 N2 O7 P S","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=S)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=S)(O)O)O","InChI=1S/C9H13N2O7PS/c12-5-3-8(11-2-1-7(13)10-9(11)14)18-6(5)4-17-19(15,16)20/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,20)/t5-,6+,8+/m0/s1","","2009-02-10","2011-06-04","2'-deoxy-5'-O-thiophosphonouridine",""],["48F","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate","C15 H23 N5 O14 P2","O=C(CO)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)[CH](O)C(=O)CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(=O)CO)O)O)O)O)N","InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h4-5,7-8,10-12,15,21,23-26H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t7-,8-,10+,11-,12-,15-/m1/s1","","2015-02-12","2016-03-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R)-2,3,5-trihydroxy-4-oxopentyl dihydrogen diphosphate (non-preferred name)","2016-03-09"],["48G","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(naphthalen-1-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","C61 H106 N2 O10","O=C(OCC1OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C1O)Nc3c2ccccc2ccc3;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](COC(=O)Nc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C61H106N2O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(65)62-52(56(66)53(64)45-36-34-32-30-28-16-14-12-10-8-6-4-2)47-71-60-59(69)58(68)57(67)54(73-60)48-72-61(70)63-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,64,66-69H,3-37,45-48H2,1-2H3,(H,62,65)(H,63,70)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1","","2015-02-12","2015-05-29","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(naphthalen-1-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","2015-06-03"],["UPT","1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione","C9 H11 N2 O7 P S","S=P1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)O;OC[CH]1O[CH]([CH]2O[P](O)(=S)O[CH]12)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)OP(=S)(O3)O","InChI=1S/C9H11N2O7PS/c12-3-4-6-7(18-19(15,20)17-6)8(16-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,20)(H,10,13,14)/t4-,6-,7-,8-,19-/m1/s1","","2014-10-20","2015-01-09","1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione","2015-01-14"],["48H","2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid","C17 H24 N6 O14 P2","O=C(O)C/N=C(/C(=O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C;CC(=NCC(O)=O)C(=O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(=NCC(=O)O)C(=O)C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O","InChI=1S/C17H24N6O14P2/c1-7(19-2-10(25)26)12(27)8(24)3-34-38(30,31)37-39(32,33)35-4-9-13(28)14(29)17(36-9)23-6-22-11-15(18)20-5-21-16(11)23/h5-6,8-9,13-14,17,24,28-29H,2-4H2,1H3,(H,25,26)(H,30,31)(H,32,33)(H2,18,20,21)/b19-7+/t8-,9-,13-,14-,17-/m1/s1","","2015-02-12","2016-03-04","(3R,5R,8R,10E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-10-en-13-oic acid 3,5-dioxide (non-preferred name)","2016-03-09"],["UPU","[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL HYDROGEN (S)-PHOSPHATE","C18 H23 N4 O14 P","O=C1C=CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O)C4O;OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O","InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1","","2007-05-24","2011-06-04","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)",""],["48I","[3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid","C13 H10 Cl N3 O6","[O-][N+](=O)c1c(Cl)ccc(c1)CN2C(=O)C=CN(C2=O)CC(=O)O;OC(=O)CN1C=CC(=O)N(Cc2ccc(Cl)c(c2)[N+]([O-])=O)C1=O;c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl","InChI=1S/C13H10ClN3O6/c14-9-2-1-8(5-10(9)17(22)23)6-16-11(18)3-4-15(13(16)21)7-12(19)20/h1-5H,6-7H2,(H,19,20)","","2015-02-04","2015-11-13","[3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid","2015-11-18"],["UPV","2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)","C15 H23 N2 O11 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCOC(=O)C(C)(C)C)C2O;CC(C)(C)C(=O)OCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;CC(C)(C)C(=O)OCOC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C15H23N2O11P/c1-15(2,3)13(20)26-7-25-11-10(19)8(6-27-29(22,23)24)28-12(11)17-5-4-9(18)16-14(17)21/h4-5,8,10-12,19H,6-7H2,1-3H3,(H,16,18,21)(H2,22,23,24)/t8-,10-,11-,12-/m1/s1","","2012-07-30","2013-04-05","2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)","2013-04-10"],["UPW","N-[3-hydroxy-6-(4-nitroanilino)pyridine-2-carbonyl]glycine","C14 H12 N4 O6","O=C(O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O;OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O;c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-]","InChI=1S/C14H12N4O6/c19-10-5-6-11(17-13(10)14(22)15-7-12(20)21)16-8-1-3-9(4-2-8)18(23)24/h1-6,19H,7H2,(H,15,22)(H,16,17)(H,20,21)","N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium","2021-03-04","2026-04-06","N-[3-hydroxy-6-(4-nitroanilino)pyridine-2-carbonyl]glycine","2021-10-13"],["48J","dihydroxyacetic acid","C2 H4 O4","O=C(O)C(O)O;OC(O)C(O)=O;C(C(=O)O)(O)O","InChI=1S/C2H4O4/c3-1(4)2(5)6/h1,3-4H,(H,5,6)","glyoxylate hydrate","2021-07-08","2021-11-26","dihydroxyacetic acid","2021-12-01"],["UPX","N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE","C20 H17 N7 O3","[O-][N+](=O)c2cccc1cc(nc12)C(=O)Nc4ccc(/C(=N/Nc3nccn3)C)cc4;CC(=NNc1[nH]ccn1)c2ccc(NC(=O)c3[nH]c4c(cccc4[N+]([O-])=O)c3)cc2;CC(=NNc1[nH]ccn1)c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]","InChI=1S/C20H17N7O3/c1-12(25-26-20-21-9-10-22-20)13-5-7-15(8-6-13)23-19(28)16-11-14-3-2-4-17(27(29)30)18(14)24-16/h2-11,24H,1H3,(H,23,28)(H2,21,22,26)/b25-12+","","2011-03-16","2011-11-11","N-{4-[(1E)-N-1H-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide",""],["48K","N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide","C19 H22 N4 O3 S","O=S(=O)(NCCN(C)C)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O;CN(C)CCN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1;CN(C)CCNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O","InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,20-21H,11-12H2,1-2H3,(H,22,24)/b17-13-","","2011-07-13","2013-05-03","N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide","2013-05-08"],["UPZ","ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate","C10 H11 N3 O3","CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1;CCOC(=O)C1=C(N2C(=CC(=O)N2)N=C1)C","InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-9(14)12-13(8)6(7)2/h4-5H,3H2,1-2H3,(H,12,14)","","2021-03-04","2023-02-10","ethyl 7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxylate","2023-02-15"],["48L","4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one","C30 H29 Br Cl F N4 O4","N4=C(c1ccc(cc1OC(C)C)OC)N(C(N2CCNC(=O)C2)=O)C(c3ccc(cc3)Cl)C4c5cc(ccc5F)Br;COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5cc(Br)ccc5F;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC","InChI=1S/C30H29BrClFN4O4/c1-17(2)41-25-15-21(40-3)9-10-22(25)29-35-27(23-14-19(31)6-11-24(23)33)28(18-4-7-20(32)8-5-18)37(29)30(39)36-13-12-34-26(38)16-36/h4-11,14-15,17,27-28H,12-13,16H2,1-3H3,(H,34,38)/t27-,28+/m0/s1","","2015-03-28","2016-01-22","4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one","2016-01-27"],["UQ","Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer","C59 H90 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)C/C=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26?,46-28?,47-30-,48-32+,49-34+,50-36+,51-38-,52-40+,53-42-","","1999-07-08","2011-06-04","2-[(2Z,6E,10Z,14E,18E,22E,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",""],["48M","4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile","C30 H27 Cl2 N5 O3","CC(C)Oc1cc(ccc1C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5cccc(Cl)c5)C#N;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N","InChI=1S/C30H27Cl2N5O3/c1-18(2)40-25-14-19(16-33)6-11-24(25)29-35-27(21-4-3-5-23(32)15-21)28(20-7-9-22(31)10-8-20)37(29)30(39)36-13-12-34-26(38)17-36/h3-11,14-15,18,27-28H,12-13,17H2,1-2H3,(H,34,38)/t27-,28+/m0/s1","","2015-03-28","2016-01-22","4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile","2016-01-27"],["48N","(2E)-2-[(2S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid","C17 H24 N6 O14 P2","O=C(O)/C=N/C(C(=O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C;C[CH](N=CC(O)=O)C(=O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C(=O)C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O)N=CC(=O)O","InChI=1S/C17H24N6O14P2/c1-7(19-2-10(25)26)12(27)8(24)3-34-38(30,31)37-39(32,33)35-4-9-13(28)14(29)17(36-9)23-6-22-11-15(18)20-5-21-16(11)23/h2,5-9,13-14,17,24,28-29H,3-4H2,1H3,(H,25,26)(H,30,31)(H,32,33)(H2,18,20,21)/b19-2+/t7-,8+,9+,13+,14+,17+/m0/s1","","2015-02-12","2016-03-04","(3R,5R,8R,10S,11E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-11-en-13-oic acid 3,5-dioxide (non-preferred name)","2016-03-09"],["UQ0","2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE","C9 H10 O4","O=C1C=C(C(=O)C(OC)=C1OC)C;COC1=C(OC)C(=O)C(=CC1=O)C;CC1=CC(=O)C(=C(C1=O)OC)OC","InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3","","2011-11-26","2024-09-27","2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione","2023-11-08"],["UQ1","UBIQUINONE-1","C14 H18 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C","InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3","","1999-07-08","2024-09-27","2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione",""],["48O","5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine","C12 H17 N6 O6","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CNC(=O)C(/N=[N+]=[N@H])C;C[CH](N=[N+]=N)C(=O)NC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;CC(C(=O)NCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N","InChI=1S/C12H16N6O6/c1-5(16-17-13)10(22)14-4-6-8(20)9(21)11(24-6)18-3-2-7(19)15-12(18)23/h2-3,5-6,8-9,11,13,20-21H,4H2,1H3,(H-,14,15,19,22,23)/p+1/t5-,6+,8+,9+,11+/m0/s1","","2015-02-12","2015-09-11","5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine","2015-09-16"],["UQ2","UBIQUINONE-2","C19 H26 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C","InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+","","1999-07-08","2011-06-04","2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",""],["48P","(1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid","C8 H12 O6","O=C(O)C1(O)C=C(CO)C(O)C(O)C1;OCC1=C[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(=CC1(C(=O)O)O)CO)O)O","InChI=1S/C8H12O6/c9-3-4-1-8(14,7(12)13)2-5(10)6(4)11/h1,5-6,9-11,14H,2-3H2,(H,12,13)/t5-,6-,8+/m1/s1","","2013-12-17","2014-09-05","(1R,4R,5R)-1,4,5-trihydroxy-3-(hydroxymethyl)cyclohex-2-ene-1-carboxylic acid","2014-04-16"],["UQ3","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate","C24 H40 N7 O18 P3 S","CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O;C[CH](O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O","InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13-,16-,17-,18+,22-/m1/s1","Lactyl-CoA","2022-08-23","2024-02-23","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate (non-preferred name)","2024-02-28"],["48Q","~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide","C39 H52 N4 O4","CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(=Cc2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4CCCCC4;CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)NC(=Cc3ccccc3)C(CNC(C)(C)c4cccc(c4)OC)O","InChI=1S/C39H52N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,23-27,36,40,44H,6-7,9,12-13,19-22,28H2,1-5H3,(H,41,45)/b35-23-/t36-/m1/s1","","2015-02-13","2015-12-04","~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide","2015-12-09"],["UQ4","N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine","C9 H8 N4 O5","C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O;OC(=O)CCNc1ccc(c2nonc12)[N](=O)=O;c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O","InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)","","2020-05-27","2024-09-27","N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine","2020-06-03"],["48R","(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide","C18 H18 N2 O4 S","O=S(=O)(NC(=O)C(C)CON=C3/c1ccccc1c2c3cccc2)C;C[CH](CON=C1c2ccccc2c3ccccc13)C(=O)N[S](C)(=O)=O;CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C","InChI=1S/C18H18N2O4S/c1-12(18(21)20-25(2,22)23)11-24-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1","","2014-06-12","2015-06-19","(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide","2015-06-24"],["UQ5","2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE","C34 H50 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C34H50O4/c1-24(2)14-10-15-25(3)16-11-17-26(4)18-12-19-27(5)20-13-21-28(6)22-23-30-29(7)31(35)33(37-8)34(38-9)32(30)36/h14,16,18,20,22H,10-13,15,17,19,21,23H2,1-9H3/b25-16+,26-18+,27-20+,28-22+","","2000-10-11","2011-06-04","2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-yl]cyclohexa-2,5-diene-1,4-dione",""],["48S","[(2R)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid","C12 H18 N O5 P","O=P(O)(O)CC(c1ccc(cc1)C)CC(=O)N(O)C;CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccc(C)cc1;Cc1ccc(cc1)C(CC(=O)N(C)O)CP(=O)(O)O","InChI=1S/C12H18NO5P/c1-9-3-5-10(6-4-9)11(8-19(16,17)18)7-12(14)13(2)15/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)/t11-/m0/s1","","2015-02-13","2015-03-27","[(2R)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid","2015-04-01"],["48T","L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine","C24 H27 N3 O7 S","O=C(c2ccc(c1ccccc1)cc2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSCC(=O)c1ccc(cc1)c2ccccc2)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)c2ccc(cc2)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C24H27N3O7S/c25-18(24(33)34)10-11-21(29)27-19(23(32)26-12-22(30)31)13-35-14-20(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,26,32)(H,27,29)(H,30,31)(H,33,34)/t18-,19-/m0/s1","","2012-02-29","2014-09-05","L-gamma-glutamyl-S-[2-(biphenyl-4-yl)-2-oxoethyl]-L-cysteinylglycine","2013-02-01"],["UQ6","5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL","C39 H60 O4","O(c1c(O)c(c(c(O)c1OC)CC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C)C;COc1c(O)c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1OC;Cc1c(c(c(c(c1O)OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22-,32-24+,33-26+","","2000-06-20","2011-06-04","2-[(2E,6E,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol",""],["48U","4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide","C19 H19 Cl F N3 O4 S2","Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3;CN(C)C(=O)c1ccc(N2CC[CH](N[S](=O)(=O)C=Cc3sc(Cl)cc3)C2=O)c(F)c1;CN(C)C(=O)c1ccc(c(c1)F)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl","InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1","GTC000101","2015-02-13","2021-03-01","4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide","2015-09-30"],["UQ7","UBIQUINONE-7","C44 H66 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+","","2005-03-15","2011-06-04","2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",""],["UQ8","Ubiquinone-8","C49 H74 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+","2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc\ntaen-1-yl]cyclohexa-2,5-diene-1,4-dione","2008-08-21","2020-06-17","2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione",""],["48V","{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid","C5 H10 N2 O3 S","O=C(N)C(N)CSCC(=O)O;N[CH](CSCC(O)=O)C(N)=O;C(C(C(=O)N)N)SCC(=O)O","InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1","","2015-02-13","2024-09-27","{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid","2015-09-23"],["UQ9","Ubiquinone-9","C54 H82 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)C;COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+","2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18\n,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione","2009-06-25","2020-06-17","2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione",""],["48W","6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf\nonamide","C23 H27 Cl N4 O5 S","O=C4N(C)CCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)CC4;C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCN(C)C(=O)CC4;CC(C(=O)N1CCC(=O)N(CC1)C)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl","InChI=1S/C23H27ClN4O5S/c1-15(22(30)27-9-8-21(29)26(2)11-12-27)28-10-7-20(23(28)31)25-34(32,33)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-15,20,25H,7-12H2,1-2H3/t15-,20-/m0/s1","GTC000398","2015-02-13","2020-06-17","6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide","2015-09-30"],["UQA","5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione","C12 H12 N2 O3","CCC1(C(NC(=O)NC1=O)=O)c2ccccc2;CCC1(C(=O)NC(=O)NC1=O)c2ccccc2;CCC1(C(=O)NC(=O)NC1=O)c2ccccc2","InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)","Phenobarbital","2020-05-27","2021-03-01","5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione","2020-09-09"],["48X","3-(phosphonooxy)propanoic acid","C3 H7 O6 P","O=P(OCCC(=O)O)(O)O;OC(=O)CCO[P](O)(O)=O;C(COP(=O)(O)O)C(=O)O","InChI=1S/C3H7O6P/c4-3(5)1-2-9-10(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)","","2015-02-14","2015-07-10","3-(phosphonooxy)propanoic acid","2015-07-15"],["UQB","(1R)-2-amino-1-(4-fluorophenyl)ethanol","C8 H10 F N O","NC[CH](O)c1ccc(F)cc1;c1cc(ccc1C(CN)O)F","InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1","(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol","2021-03-06","2022-03-18","(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol","2022-03-23"],["48Y","(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid","C7 H10 O7","O=C(O)C(CCC(=O)O)C(O)C(=O)O;O[CH]([CH](CCC(O)=O)C(O)=O)C(O)=O;C(CC(=O)O)C(C(C(=O)O)O)C(=O)O","InChI=1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/t3-,5+/m0/s1","","2015-02-15","2016-03-04","(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid","2016-03-09"],["48Z","2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose","C5 H10 F O6 P S","FC1C(O)C(OC1O)COP(=O)(O)S;O[CH]1O[CH](CO[P](O)(S)=O)[CH](O)[CH]1F;C(C1C(C(C(O1)O)F)O)OP(=O)(O)S","InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1","","2011-05-11","2024-09-27","2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose",""],["UQC","Cortisone","C21 H28 O5","C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23;CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C","InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1","(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione; 17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione","2023-02-08","2023-05-05","(8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione","2023-05-10"],["UQD","3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide","C18 H16 Cl N5 O","n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)=N)cc3Cl;Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3Cl)C(N)=N)c2O;Cc1ccc(cc1)c2c(c(ncn2)Nc3ccc(cc3Cl)C(=N)N)O","InChI=1S/C18H16ClN5O/c1-10-2-4-11(5-3-10)15-16(25)18(23-9-22-15)24-14-7-6-12(17(20)21)8-13(14)19/h2-9,25H,1H3,(H3,20,21)(H,22,23,24)","","2020-05-27","2020-06-19","3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide","2020-06-24"],["490","1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one","C25 H23 N5 O2","O=C5C=CC(c1cn(nc1COc4ccc(c3cccc2n(cnc23)C)cc4)C)=CN5C;Cn1cc(c(COc2ccc(cc2)c3cccc4n(C)cnc34)n1)C5=CN(C)C(=O)C=C5;Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C","InChI=1S/C25H23N5O2/c1-28-13-18(9-12-24(28)31)21-14-30(3)27-22(21)15-32-19-10-7-17(8-11-19)20-5-4-6-23-25(20)26-16-29(23)2/h4-14,16H,15H2,1-3H3","","2015-02-15","2015-06-12","1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one","2015-06-17"],["UQE","(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide","C21 H20 N6 O5 S2","ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2;c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc3cn(nn3)C(Cc4ccc(cc4)O)C(=O)NO","InChI=1S/C21H20N6O5S2/c28-16-6-4-14(5-7-16)11-18(21(29)25-30)27-13-15(24-26-27)12-23-34(31,32)20-9-8-19(33-20)17-3-1-2-10-22-17/h1-10,13,18,23,28,30H,11-12H2,(H,25,29)/t18-/m0/s1","","2021-03-08","2022-06-17","(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide","2022-06-22"],["491","2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose","C11 H20 N O11 P","O=C(O)C(OC1C(O)C(OC(OP(=O)(O)O)C1NC(=O)C)CO)C;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(O)=O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)O)NC(=O)C","InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1","2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;\nN-acetyl-3-O-[(1R)-1-carboxyethyl]-1-O-phosphono-alpha-D-glucosamine;\n2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucose;\n2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-D-glucose;\n2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-glucose","2015-02-16","2020-07-17","2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose","2015-03-18"],["UQF","1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine","C27 H36 N14 O7","NC(=N)NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCNC(=N)N)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N","InChI=1S/C27H36N14O7/c28-21-15-23(35-9-33-21)40(11-37-15)25-19(45)17(43)12(47-25)7-39(6-2-4-32-27(30)31)5-1-3-14-38-16-22(29)34-10-36-24(16)41(14)26-20(46)18(44)13(8-42)48-26/h9-13,17-20,25-26,42-46H,2,4-8H2,(H2,28,33,35)(H2,29,34,36)(H4,30,31,32)/t12-,13?,17+,18+,19+,20+,25-,26-/m0/s1","","2023-09-06","2025-03-14","1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine","2025-03-19"],["492","1-(2,2'-bithiophen-5-yl)methanamine","C9 H9 N S2","s2c(c1sc(cc1)CN)ccc2;NCc1sc(cc1)c2sccc2;c1cc(sc1)c2ccc(s2)CN","InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2","(5-thiophen-2-ylthiophen-2-yl)methylamine","2009-01-20","2021-03-01","1-(2,2'-bithiophen-5-yl)methanamine",""],["493","{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID","C32 H36 N3 O9 P","O=C(O)COc1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4;CC(=O)N[CH](Cc1ccc(OCC(O)=O)c(c1)[P](O)(O)=O)C(=O)N[CH]2CCCCN(Cc3ccc(cc3)c4ccccc4)C2=O;CC(=O)NC(Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1","RU85493","2003-06-20","2020-06-17","{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-phosphonophenoxy}acetic acid",""],["UQG","4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide","C18 H17 N5 O","n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(cc3)/C(N)=N;Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3)C(N)=N)c2O;Cc1ccc(cc1)c2c(c(ncn2)Nc3ccc(cc3)C(=N)N)O","InChI=1S/C18H17N5O/c1-11-2-4-12(5-3-11)15-16(24)18(22-10-21-15)23-14-8-6-13(7-9-14)17(19)20/h2-10,24H,1H3,(H3,19,20)(H,21,22,23)","","2020-05-27","2020-06-19","4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide","2020-06-24"],["494","(2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","C21 H15 Cl2 N3 O4","N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Cl)c3;Clc1ccc(Oc2cc(Cl)cc(C=CC#N)c2)c(OCCN3C=CC(=O)NC3=O)c1;c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C=CC#N","InChI=1S/C21H15Cl2N3O4/c22-15-3-4-18(30-17-11-14(2-1-6-24)10-16(23)12-17)19(13-15)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+","","2012-09-19","2012-11-30","(2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile","2012-11-30"],["UQH","(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","C25 H36 N4 O4","OCC1C(O)C(O)C(O)CN1CCCCCCNc1cc(cc(c1)C1CC1)c1cccnn1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2cc(cc(c2)c3cccnn3)C4CC4;c1cc(nnc1)c2cc(cc(c2)NCCCCCCN3CC(C(C(C3CO)O)O)O)C4CC4","InChI=1S/C25H36N4O4/c30-16-22-24(32)25(33)23(31)15-29(22)11-4-2-1-3-9-26-20-13-18(17-7-8-17)12-19(14-20)21-6-5-10-27-28-21/h5-6,10,12-14,17,22-26,30-33H,1-4,7-9,11,15-16H2/t22-,23+,24-,25-/m1/s1","","2022-08-23","2023-02-17","(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["495","4-chlorophthalazin-1(2H)-one","C8 H5 Cl N2 O","O=C2c1c(cccc1)C(Cl)=NN2;ClC1=NNC(=O)c2ccccc12;c1ccc2c(c1)C(=O)NN=C2Cl","InChI=1S/C8H5ClN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12)","","2013-02-06","2013-07-05","4-chlorophthalazin-1(2H)-one","2013-07-10"],["UQI","(1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C22 H24 Cl2 N4 O2 S","Clc1cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4;C=CC1CN(C(=O)C2CCCC1N2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4","InChI=1S/C22H24Cl2N4O2S/c1-2-15-13-27(14-18-6-3-4-9-26-18)22(29)21-8-5-7-20(15)28(21)31(25,30)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21,25H,1,5,7-8,13-14H2/t15-,20+,21-,31+/m0/s1","","2023-02-09","2023-09-01","(1~{S},5~{S},6~{R})-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2023-09-06"],["UQJ","3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide","C6 H7 F2 N3 O","NC(=O)c1c(C(F)F)nn(c1)C;Cn1cc(C(N)=O)c(n1)C(F)F;Cn1cc(c(n1)C(F)F)C(=O)N","InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)","","2020-05-27","2020-06-05","3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide","2020-06-10"],["496","2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C16 H17 F3 N4 O3 S","FC(F)(F)c1nn(cc1CO)CC(=O)Nc2sc3c(c2C(=O)N)CCCC3;NC(=O)c1c(NC(=O)Cn2cc(CO)c(n2)C(F)(F)F)sc3CCCCc13;c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO","InChI=1S/C16H17F3N4O3S/c17-16(18,19)13-8(7-24)5-23(22-13)6-11(25)21-15-12(14(20)26)9-3-1-2-4-10(9)27-15/h5,24H,1-4,6-7H2,(H2,20,26)(H,21,25)","","2012-05-29","2012-07-06","2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["UQK","N-oxalyl-alpha-methylalanine","C6 H9 N O5","CC(C)(NC(=O)C(O)=O)C(O)=O;CC(C)(C(=O)O)NC(=O)C(=O)O","InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12)","2-(carboxycarbonylamino)-2-methyl-propanoic acid","2021-03-09","2021-03-12","2-(carboxycarbonylamino)-2-methyl-propanoic acid","2021-03-17"],["497","6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE","C23 H24 N4 O","O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(CNC4)CC;CC[CH]1CNCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12;CCC1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N","InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1","6-[N-(4-ETHYL-1,2,3,4-TETRAHYDRO-6-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE","2003-04-09","2021-03-13","6-carbamimidoyl-N-[(4R)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]naphthalene-2-carboxamide",""],["498","p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide","C18 H8 N4 O2 Ru S","O=S(=O)(c1ccc(cc1)n2nncc2C3%11C%13=C%12C5=C34)N;[Ru]|1|2|3|4|5|6|7|8(|C9C|1=C|2C|3=C|49)|C%10=C|5C|6(C|7=C|8%10)c%11cnnn%11c%12ccc(cc%12)[S](N)(=O)=O;c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N","InChI=1S/C13H7N4O2S.C5H.Ru/c14-20(18,19)12-7-5-11(6-8-12)17-13(9-15-16-17)10-3-1-2-4-10;1-2-4-5-3-1;/h5-9H,(H2,14,18,19);1H;","","2010-11-01","2011-09-16","[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-5-yl]cyclopentadienyl}ruthenium",""],["UQL","2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine","C13 H17 Cl N2","CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12;Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C","InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3","ST1936","2023-06-15","2023-06-23","2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-ethanamine","2023-06-28"],["UQM","N-[4-(2-amino-2-oxoethyl)phenyl]acetamide","C10 H12 N2 O2","NC(Cc1ccc(NC(C)=O)cc1)=O;CC(=O)Nc1ccc(CC(N)=O)cc1;CC(=O)Nc1ccc(cc1)CC(=O)N","InChI=1S/C10H12N2O2/c1-7(13)12-9-4-2-8(3-5-9)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)","","2020-05-27","2020-06-05","N-[4-(2-amino-2-oxoethyl)phenyl]acetamide","2020-06-10"],["499","5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine","C17 H12 N6 O","n1nc(oc1c4cnc5ncc(c3c2ccccc2nc3)cc45)N;Nc1oc(nn1)c2c[nH]c3ncc(cc23)c4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N","InChI=1S/C17H12N6O/c18-17-23-22-16(24-17)13-8-21-15-11(13)5-9(6-20-15)12-7-19-14-4-2-1-3-10(12)14/h1-8,19H,(H2,18,23)(H,20,21)","","2015-02-16","2015-05-01","5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine","2015-05-06"],["49A","4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID","C11 H19 N3 O6","O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(C=1)N;CC(=O)N[CH]1[CH](N)C=C(O[CH]1[CH](O)[CH](O)CN)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CN)O)O)C(=O)O)N","InChI=1S/C11H19N3O6/c1-4(15)14-8-5(13)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,16-17H,3,12-13H2,1H3,(H,14,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1","","2000-07-26","2020-07-17","5-(acetylamino)-4,9-diamino-2,6-anhydro-3,4,5,9-tetradeoxy-D-glycero-D-galacto-non-2-enonic acid",""],["UQN","1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole","C16 H12 Br2 N2","Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br;Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br","InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3","","2021-03-09","2024-09-27","1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole","2021-06-16"],["UQO","(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H37 N3 O10 S2","CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)[S](=O)(=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O)(=O)c2ccccc2","InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1","","2022-08-23","2024-09-27","(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-21"],["49B","5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione","C16 H11 N5 O S","S=C1OC(=NN1)c4c(ncc(c2cc3ccccc3nc2)c4)N;Nc1ncc(cc1C2=NNC(=S)O2)c3cnc4ccccc4c3;c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4","InChI=1S/C16H11N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H,(H2,17,19)(H,21,23)","","2015-02-16","2015-05-01","5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione","2015-05-06"],["UQS","N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine","C10 H10 F N3","n2ncc(NCc1ccccc1F)c2;Fc1ccccc1CNc2c[nH]nc2;c1ccc(c(c1)CNc2c[nH]nc2)F","InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)","","2020-05-27","2020-06-05","N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine","2020-06-10"],["49C","(1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one","C19 H15 Cl O3 S","Clc4ccccc4SC1=C(O)CC3(OC1=O)c2ccccc2CC3;OC1=C(Sc2ccccc2Cl)C(=O)O[C]3(CCc4ccccc34)C1;c1ccc2c(c1)CCC23CC(=C(C(=O)O3)Sc4ccccc4Cl)O","InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2/t19-/m1/s1","","2014-10-28","2014-11-07","(1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one","2014-11-12"],["UQV","[2-(acetylamino)phenyl]acetic acid","C10 H11 N O3","c1ccc(CC(=O)O)c(NC(C)=O)c1;CC(=O)Nc1ccccc1CC(O)=O;CC(=O)Nc1ccccc1CC(=O)O","InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-2-4-8(9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)","","2020-05-27","2020-06-05","[2-(acetylamino)phenyl]acetic acid","2020-06-10"],["49D","6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C18 H20 Cl N5 O","Clc1ccc(cc1)C(NC2=Nc3c(C(=O)N2)cnn3C4CCCC4)C;C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)c4ccc(Cl)cc4;CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2","InChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m0/s1","","2015-02-16","2015-09-11","6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2015-09-16"],["49E","6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C18 H20 Cl N5 O","Clc1ccc(cc1)C(NC2=Nc3c(C(=O)N2)cnn3C4CCCC4)C;C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)c4ccc(Cl)cc4;CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2","InChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m1/s1","","2015-02-16","2015-09-11","6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2015-09-16"],["UQW","[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate","C17 H20 N2 O3","CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12;CCC(C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C","InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1","[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate","2021-03-09","2021-06-11","[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate","2021-06-16"],["UQX","(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide","C31 H30 N6 O3","CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1;CNC(=O)[CH]1Cc2c(CN1C(=O)[CH](Cc3cccc(C)c3)NC(=O)c4ccc5[nH]ncc5c4)[nH]c6ccccc26;Cc1cccc(c1)CC(C(=O)N2Cc3c(c4ccccc4[nH]3)CC2C(=O)NC)NC(=O)c5ccc6c(c5)cn[nH]6","InChI=1S/C31H30N6O3/c1-18-6-5-7-19(12-18)13-26(35-29(38)20-10-11-24-21(14-20)16-33-36-24)31(40)37-17-27-23(15-28(37)30(39)32-2)22-8-3-4-9-25(22)34-27/h3-12,14,16,26,28,34H,13,15,17H2,1-2H3,(H,32,39)(H,33,36)(H,35,38)/t26-,28-/m1/s1","","2023-09-06","2024-01-26","(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide","2024-01-31"],["49F","(2S)-2-(2-methoxyethyl)pyrrolidine","C7 H15 N O","O(C)CCC1NCCC1;COCC[CH]1CCCN1;COCCC1CCCN1","InChI=1S/C7H15NO/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1","","2015-02-17","2015-12-18","(2S)-2-(2-methoxyethyl)pyrrolidine","2015-12-23"],["UQY","1-(methylamino)cyclopentane-1-carboxamide","C7 H14 N2 O","NC(=O)C1(CCCC1)NC;CNC1(CCCC1)C(N)=O;CNC1(CCCC1)C(=O)N","InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)","","2020-05-27","2020-06-05","1-(methylamino)cyclopentane-1-carboxamide","2020-06-10"],["49G","N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine","C13 H17 N3","n1c(ccn1C)CNCCc2ccccc2;Cn1ccc(CNCCc2ccccc2)n1;Cn1ccc(n1)CNCCc2ccccc2","InChI=1S/C13H17N3/c1-16-10-8-13(15-16)11-14-9-7-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11H2,1H3","","2015-02-17","2015-05-01","N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine","2015-05-06"],["UQZ","~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide","C22 H24 N2 O5","CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc(O)c3)C(=O)C=C;CCCN(C(c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C","InChI=1S/C22H24N2O5/c1-3-10-24(20(26)4-2)21(16-6-5-7-17(25)12-16)22(27)23-13-15-8-9-18-19(11-15)29-14-28-18/h4-9,11-12,21,25H,2-3,10,13-14H2,1H3,(H,23,27)/t21-/m0/s1","","2021-03-09","2021-06-11","~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide","2021-06-16"],["49H","4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one","C30 H30 Cl2 N4 O4","N4=C(c1ccc(cc1OC(C)C)OC)N(C(N2CCNC(=O)C2)=O)C(c3ccc(cc3)Cl)C4c5cc(ccc5)Cl;COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5cccc(Cl)c5;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC","InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)11-12-24(25)29-34-27(20-5-4-6-22(32)15-20)28(19-7-9-21(31)10-8-19)36(29)30(38)35-14-13-33-26(37)17-35/h4-12,15-16,18,27-28H,13-14,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1","","2015-03-28","2016-01-22","4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one","2016-01-27"],["UR0","1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one","C19 H18 O3","Oc1ccc(C=CCCC(=O)C=Cc2ccc(O)cc2)cc1;c1cc(ccc1C=CCCC(=O)C=Cc2ccc(cc2)O)O","InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-14,21-22H,2,4H2/b3-1+,10-7+","","2023-06-15","2023-12-15","(1~{E},6~{E})-1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one","2023-12-20"],["49I","2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid","C22 H19 N O3 S","OC(=O)c1c(NC(=O)c2ccccc2)scc1[CH]3CCc4ccccc4C3;c1ccc(cc1)C(=O)Nc2c(c(cs2)C3CCc4ccccc4C3)C(=O)O","InChI=1S/C22H19NO3S/c24-20(15-7-2-1-3-8-15)23-21-19(22(25)26)18(13-27-21)17-11-10-14-6-4-5-9-16(14)12-17/h1-9,13,17H,10-12H2,(H,23,24)(H,25,26)/t17-/m1/s1","","2021-06-30","2022-05-20","2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid","2022-05-25"],["UR1","3-fluoro-5-methylbenzene-1-sulfonamide","C7 H8 F N O2 S","c1c(S(N)(=O)=O)cc(C)cc1F;Cc1cc(F)cc(c1)[S](N)(=O)=O;Cc1cc(cc(c1)S(=O)(=O)N)F","InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)","","2020-05-27","2020-06-05","3-fluoro-5-methylbenzene-1-sulfonamide","2020-06-10"],["49J","2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline","C17 H18 N4 O2 S","n1cc(cc2nsc(c12)N3CCOCC3)c4ccc(N)c(OC)c4;COc1cc(ccc1N)c2cnc3c(snc3c2)N4CCOCC4;COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2","InChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3","","2015-02-17","2015-04-03","2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline","2015-04-08"],["UR2","4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID","C25 H38 N3 O10 P","O=P(O)(O)Oc1ccc(cc1)CN(C(=O)NC(C(=O)N(CCCC2CCCCC2)C)CCC(=O)O)CC(=O)O;CN(CCCC1CCCCC1)C(=O)[CH](CCC(O)=O)NC(=O)N(CC(O)=O)Cc2ccc(O[P](O)(O)=O)cc2;CN(CCCC1CCCCC1)C(=O)C(CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O","InChI=1S/C25H38N3O10P/c1-27(15-5-8-18-6-3-2-4-7-18)24(33)21(13-14-22(29)30)26-25(34)28(17-23(31)32)16-19-9-11-20(12-10-19)38-39(35,36)37/h9-12,18,21H,2-8,13-17H2,1H3,(H,26,34)(H,29,30)(H,31,32)(H2,35,36,37)/t21-/m0/s1","","1999-07-08","2011-06-04","N~2~-{(carboxymethyl)[4-(phosphonooxy)benzyl]carbamoyl}-N-(3-cyclohexylpropyl)-N-methyl-L-alpha-glutamine",""],["49K","N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine","C13 H17 F N4","Fc2ccc(c1c(cnn1)CN(C)CCN)cc2;CN(CCN)Cc1cn[nH]c1c2ccc(F)cc2;CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F","InChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17)","","2015-02-17","2015-04-17","N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine","2015-04-22"],["49L","N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine","C25 H38 N4 O3","O(CCC1CCOCC1)C4CC(Oc3ccc(c2nncc2CN(CCNC)C)cc3)C4;CNCCN(C)Cc1c[nH]nc1c2ccc(O[CH]3C[CH](C3)OCCC4CCOCC4)cc2;CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4","InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)/t23-,24-","","2015-02-17","2015-04-17","N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine","2015-04-22"],["UR3","3-METHYLURIDINE-5'-MONOPHOSHATE","C10 H15 N2 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O;CN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1","","2004-03-17","2011-12-06","3-methyluridine 5'-(dihydrogen phosphate)",""],["UR4","2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide","C12 H12 N2 O2 S","n1c(csc1NC(COC)=O)c2ccccc2;COCC(=O)Nc1scc(n1)c2ccccc2;COCC(=O)Nc1nc(cs1)c2ccccc2","InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)","","2020-05-27","2020-06-05","2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide","2020-06-10"],["49M","(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol","C54 H105 N O8","O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](C=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C=CC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C54H105NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(58)55-46(43-44-48-52(60)54(62)53(61)49(45-56)63-48)51(59)47(57)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h43-44,46-49,51-54,56-57,59-62H,3-42,45H2,1-2H3,(H,55,58)/b44-43+/t46-,47+,48+,49+,51-,52-,53-,54+/m0/s1","GCK127","2015-02-17","2020-06-17","(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol","2015-05-27"],["UR5","(+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid","C6 H8 N2 O4","OC(=O)[CH]1NC[CH]2[CH]1ONC2=O;C1C2C(C(N1)C(=O)O)ONC2=O","InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1","(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid","2021-03-09","2022-03-11","(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid","2022-03-16"],["49N","1-[3-(trifluoromethyl)pyridin-2-yl]piperazine","C10 H12 F3 N3","FC(F)(F)c1c(nccc1)N2CCNCC2;FC(F)(F)c1cccnc1N2CCNCC2;c1cc(c(nc1)N2CCNCC2)C(F)(F)F","InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2","","2015-02-18","2015-05-01","1-[3-(trifluoromethyl)pyridin-2-yl]piperazine","2015-05-06"],["UR7","1-(3-fluoro-4-methylphenyl)methanesulfonamide","C8 H10 F N O2 S","c1(cc(F)c(C)cc1)CS(N)(=O)=O;Cc1ccc(C[S](N)(=O)=O)cc1F;Cc1ccc(cc1F)CS(=O)(=O)N","InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)","","2020-05-27","2020-06-05","1-(3-fluoro-4-methylphenyl)methanesulfonamide","2020-06-10"],["49O","2-(piperazin-1-yl)pyridine-3-carbonitrile","C10 H12 N4","N#Cc1c(nccc1)N2CCNCC2;N#Cc1cccnc1N2CCNCC2;c1cc(c(nc1)N2CCNCC2)C#N","InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2","","2015-02-18","2015-05-01","2-(piperazin-1-yl)pyridine-3-carbonitrile","2015-05-06"],["UR8","(-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid","C6 H8 N2 O4","OC(=O)[CH]1NC[CH]2[CH]1ONC2=O;C1C2C(C(N1)C(=O)O)ONC2=O","InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m1/s1","(3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid","2021-03-09","2022-03-11","(3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid","2022-03-16"],["49P","1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol","C10 H7 F3 N2 O","FC(F)(F)c1cccc(c1)n2ncc(O)c2;Oc1cnn(c1)c2cccc(c2)C(F)(F)F;c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F","InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H","","2015-02-18","2015-05-01","1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol","2015-05-06"],["49Q","3-[4-(benzyloxy)phenyl]propan-1-ol","C16 H18 O2","O(c1ccc(cc1)CCCO)Cc2ccccc2;OCCCc1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)CCCO","InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2","","2015-02-18","2015-05-01","3-[4-(benzyloxy)phenyl]propan-1-ol","2015-05-06"],["UR9","Monomethyl fumarate","C5 H6 O4","COC(=O)C=CC(O)=O;COC(=O)C=CC(=O)O","InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+","(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid","2023-06-18","2024-11-12","(~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid","2024-03-06"],["49R","tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate","C14 H20 N2 O2","O=C(OC(C)(C)C)NC2Cc1c(cccc1)NC2;CC(C)(C)OC(=O)N[CH]1CNc2ccccc2C1;CC(C)(C)OC(=O)NC1Cc2ccccc2NC1","InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)/t11-/m1/s1","","2015-02-18","2015-05-01","tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate","2015-05-06"],["URA","URACIL","C4 H4 N2 O2","O=C1C=CNC(=O)N1;O=C1NC=CC(=O)N1;C1=CNC(=O)NC1=O","InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)","","1999-07-08","2011-06-04","pyrimidine-2,4(1H,3H)-dione",""],["49S","2-acetamido-2-deoxy-beta-D-mannopyranuronic acid","C8 H13 N O7","O=C(O)C1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;CC(=O)NC1C(C(C(OC1O)C(=O)O)O)O","InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4+,5-,6-,8+/m0/s1","2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid; 2-acetamido-2-deoxy-beta-D-mannuronic acid;\n2-acetamido-2-deoxy-D-mannuronic acid; 2-acetamido-2-deoxy-mannuronic acid","2015-02-18","2020-07-17","2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid","2017-02-01"],["URB","5-bromopyrimidine-2,4(1H,3H)-dione","C4 H3 Br N2 O2","BrC1=CNC(=O)NC1=O;BrC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)Br","InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)","5-bromouracil","2008-04-25","2020-06-17","5-bromopyrimidine-2,4(1H,3H)-dione",""],["49T","2-acetamido-2-deoxy-alpha-D-fucopyranose","C8 H15 N O5","O=C(NC1C(O)C(O)C(OC1O)C)C;C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)NC(=O)C)O)O","InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8+/m1/s1","2-acetamido-2,6-deoxy-alpha-D-galactopyranose; 6-deoxy-N-acetyl-alpha-D-galactosamine;\nN-acetyl-alpha-D-fucopyranosamine; 2-acetamido-2-deoxy-alpha-D-fucose; 2-acetamido-2-deoxy-D-fucose;\n2-acetamido-2-deoxy-fucose; 2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose","2015-02-18","2020-07-17","2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose","2017-02-01"],["URC","URIC ACID","C5 H4 N4 O3","O=C1C2=C(NC(=O)N1)NC(=O)N2;O=C1NC(=O)C2=C(N1)NC(=O)N2;C12=C(NC(=O)N1)NC(=O)NC2=O","InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)","7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE","2002-03-15","2021-03-13","7,9-dihydro-1H-purine-2,6,8(3H)-trione",""],["URD","1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE","C10 H13 N O6","O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)CC2=O;C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O","InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1","3-DEAZAURIDINE","2005-04-08","2021-03-01","1-beta-D-ribofuranosylpyridine-2,4(1H,3H)-dione",""],["49U","(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide","C21 H30 N4 O2","O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCC2CCCC2)CCC3;NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCC3CCCC3)cc1;c1cc(ccc1CNC(=O)C2CCCN2C(=O)CCC3CCCC3)C(=N)N","InChI=1S/C21H30N4O2/c22-20(23)17-10-7-16(8-11-17)14-24-21(27)18-6-3-13-25(18)19(26)12-9-15-4-1-2-5-15/h7-8,10-11,15,18H,1-6,9,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1","","2007-11-29","2012-01-05","N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)-L-prolinamide",""],["49V","2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid","C8 H11 N O6","O=C(O)C=1OC(O)C(NC(=O)C)C(O)C=1;CC(=O)N[CH]1[CH](O)OC(=C[CH]1O)C(O)=O;CC(=O)NC1C(C=C(OC1O)C(=O)O)O","InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1","2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid;\n2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enuronic acid; 2-acetamido-2,4-dideoxy-L-erythro-hex-4-enuronic acid;\n2-acetamido-2,4-dideoxy-erythro-hex-4-enuronic acid","2015-02-18","2020-07-17","2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid","2017-02-01"],["URE","UREA","C H4 N2 O","O=C(N)N;NC(N)=O;C(=O)(N)N","InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)","","1999-07-08","2024-09-27","urea",""],["URF","5-FLUOROURACIL","C4 H3 F N2 O2","FC1=CNC(=O)NC1=O;FC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)F","InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)","","1999-07-08","2011-06-04","5-fluoropyrimidine-2,4(1H,3H)-dione",""],["49W","N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide","C37 H47 N5 O3","O=C(NC(Cc1ccccc1)C(O)CNC(c2ncccc2)(C)C)c3cc(cc(C(=O)N(CCC)CCC)c3)N4C=CC=CC4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNC(C)(C)c3ccccn3)N4CC=CC=C4;CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4ccccn4)O","InChI=1S/C37H47N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-31(26-30)41-21-13-8-14-22-41)35(44)40-32(23-28-15-9-7-10-16-28)33(43)27-39-37(3,4)34-17-11-12-18-38-34/h7-18,21,24-26,32-33,39,43H,5-6,19-20,22-23,27H2,1-4H3,(H,40,44)/t32-,33-/m0/s1","","2015-02-18","2015-12-04","N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide","2015-12-09"],["URH","~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide","C21 H18 N2 O4 S","N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-10-18(11-13-19)21(25)23-14-15-6-8-17(9-7-15)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27)","","2021-03-10","2022-03-11","~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide","2022-03-16"],["49X","(1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol","C39 H67 N O8","O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](NC(=O)CCCCCCCc1ccccc1)C=C[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;CCCCCCCCCCCCCCC(C(C(C=CC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O","InChI=1S/C39H67NO8/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-32(42)36(44)31(27-28-33-37(45)39(47)38(46)34(29-41)48-33)40-35(43)26-21-15-12-13-17-22-30-23-18-16-19-24-30/h16,18-19,23-24,27-28,31-34,36-39,41-42,44-47H,2-15,17,20-22,25-26,29H2,1H3,(H,40,43)/b28-27+/t31-,32+,33+,34+,36-,37-,38-,39+/m0/s1","GCK152","2015-02-18","2021-03-01","(1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol","2015-05-27"],["URI","URIDINE","C9 H12 N2 O6","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1","","2001-03-08","2011-06-04","uridine",""],["49Y","(4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide","C46 H87 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCC=C/CCCCC2CC2CCCCCCCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCC=CCCCC[CH]2C[CH]2CCCCCCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCC=CCCCCC2CC2CCCCCCCCCC)O)O","InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-14-15-16-18-23-27-31-39(49)42(51)38(35-55-46-45(54)44(53)43(52)40(34-48)56-46)47-41(50)32-28-24-20-19-22-26-30-37-33-36(37)29-25-21-17-12-10-8-6-4-2/h20,24,36-40,42-46,48-49,51-54H,3-19,21-23,25-35H2,1-2H3,(H,47,50)/b24-20-/t36-,37-,38+,39+,40-,42+,43+,44+,45-,46+/m1/s1","","2015-02-18","2015-05-22","(4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide","2015-05-27"],["URJ","4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide","C23 H22 F N5 O","c5(ccc(C(=O)NC1(CC1)c2ccc3c(n2)CCCN3c4ccnc(n4)C)cc5)F;Cc1nccc(n1)N2CCCc3nc(ccc23)C4(CC4)NC(=O)c5ccc(F)cc5;Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F","InChI=1S/C23H22FN5O/c1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16/h4-10,13H,2-3,11-12,14H2,1H3,(H,28,30)","","2020-05-28","2021-05-28","4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide","2021-06-02"],["49Z","2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine","C14 H16 F N S","Fc1ccccc1CCNCc2sc(cc2)C;Cc1sc(CNCCc2ccccc2F)cc1;Cc1ccc(s1)CNCCc2ccccc2F","InChI=1S/C14H16FNS/c1-11-6-7-13(17-11)10-16-9-8-12-4-2-3-5-14(12)15/h2-7,16H,8-10H2,1H3","","2015-02-19","2015-05-01","2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine","2015-05-06"],["4A0","2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol","C19 H27 N O","Oc1ccccc1CNCCC24CC3CC(CC(C2)C3)C4;Oc1ccccc1CNCCC23CC4CC(CC(C4)C2)C3;c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O","InChI=1S/C19H27NO/c21-18-4-2-1-3-17(18)13-20-6-5-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16,20-21H,5-13H2/t14-,15+,16-,19+","","2015-02-19","2015-05-01","2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol","2015-05-06"],["URK","[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate","C20 H20 N2 O7","COc1cccc(CNC(=O)[CH](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC;COc1cccc(c1OC)CNC(=O)C(c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C","InChI=1S/C20H20N2O7/c1-4-17(23)29-19(13-8-10-15(11-9-13)22(25)26)20(24)21-12-14-6-5-7-16(27-2)18(14)28-3/h4-11,19H,1,12H2,2-3H3,(H,21,24)/t19-/m0/s1","[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate; FSP006","2021-03-10","2024-09-27","[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate","2021-06-16"],["4A1","2-[(propylsulfonyl)amino]benzoic acid","C10 H13 N O4 S","O=S(=O)(Nc1ccccc1C(=O)O)CCC;CCC[S](=O)(=O)Nc1ccccc1C(O)=O;CCCS(=O)(=O)Nc1ccccc1C(=O)O","InChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)","","2013-06-05","2014-05-16","2-[(propylsulfonyl)amino]benzoic acid","2014-05-21"],["URL","[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid","C7 H16 N2 O2","CC(C)C[CH](N)CNC(O)=O;CC(C)CC(CNC(=O)O)N","InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1","","2018-08-22","2024-09-27","[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid","2021-02-17"],["4A2","(2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylic acid","C23 H17 F4 N3 O3","FC(F)(F)c1ccccc1CN4c2ccc(cc2NC4=N/c3ccc(OC)c(F)c3)C(=O)O;COc1ccc(cc1F)N=C2Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(O)=O;COc1ccc(cc1F)N=C2Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O","InChI=1S/C23H17F4N3O3/c1-33-20-9-7-15(11-17(20)24)28-22-29-18-10-13(21(31)32)6-8-19(18)30(22)12-14-4-2-3-5-16(14)23(25,26)27/h2-11H,12H2,1H3,(H,28,29)(H,31,32)","","2012-11-23","2014-09-05","(2E)-2-[(3-fluoro-4-methoxyphenyl)imino]-1-[2-(trifluoromethyl)benzyl]-2,3-dihydro-1H-benzimidazole-5-carboxylic acid","2013-01-18"],["URM","(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic\n(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)\nanhydride","C16 H26 N2 O16 P2","OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(CC3C(C(C(C(O3)CO)O)O)O)O)O)O","InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1","Uridine diphospho methylene galactopyranose","2010-04-14","2020-06-17","[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid",""],["URN","5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE","C4 H6 N4 O2","O=C1NC(N)=C(N)C(=O)N1;NC1=C(N)C(=O)NC(=O)N1;C1(=C(NC(=O)NC1=O)N)N","InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)","5,6-DIAMINOURACIL","2004-11-02","2020-06-17","5,6-diaminopyrimidine-2,4(1H,3H)-dione",""],["4A3","4-AMINO-3-HYDROXYBENZOIC ACID","C7 H7 N O3","O=C(O)c1cc(O)c(N)cc1;Nc1ccc(cc1O)C(O)=O;c1cc(c(cc1C(=O)O)O)N","InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)","","2006-06-21","2011-06-04","4-amino-3-hydroxybenzoic acid",""],["4A5","(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid","C8 H9 Br N2 O2","O=C(O)Cn1nc(c(Br)c1)C2CC2;OC(=O)Cn1cc(Br)c(n1)C2CC2;c1c(c(nn1CC(=O)O)C2CC2)Br","InChI=1S/C8H9BrN2O2/c9-6-3-11(4-7(12)13)10-8(6)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)","","2015-02-19","2015-05-01","(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid","2015-05-06"],["URO","(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID","C6 H6 N2 O2","O=C(O)C=Cc1ncnc1;OC(=O)C=Cc1c[nH]cn1;c1c(nc[nH]1)C=CC(=O)O","InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+","","2004-02-05","2011-06-04","(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid",""],["URP","N-(AMINOCARBONYL)-BETA-ALANINE","C4 H8 N2 O3","O=C(O)CCNC(=O)N;NC(=O)NCCC(O)=O;C(CNC(=O)N)C(=O)O","InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)","N-CARBAMYL-BETA-ALANINE; BETA-UREIDOPROPIONATE","2006-02-06","2020-05-26","N-carbamoyl-beta-alanine",""],["4A6","[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium","C10 H14 Ru","[Ru]|1|2|3|4|5|C6=C|1[C]|2(=C|3C|4=[C]|56=C)=C(C)C;CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C","InChI=1S/C10H8.Ru/c1-8(2)10-6-4-9(3)5-7-10;/h3H2,1-2H3;","","2015-02-27","2016-01-22","","2016-01-27"],["URQ","(2S)-3-(carbamoylamino)-2-methylpropanoic acid","C5 H10 N2 O3","O=C(NCC(C(=O)O)C)N;C[CH](CNC(N)=O)C(O)=O;CC(CNC(=O)N)C(=O)O","InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1","","2013-07-02","2013-09-13","(2S)-3-(carbamoylamino)-2-methylpropanoic acid","2013-09-18"],["4A7","2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide","C18 H20 N2 O5 S","O=S(=O)(c1ccc(OC)cc1OC)Nc2ccc3c(c2)CCC(=O)N3C;COc1ccc(c(OC)c1)[S](=O)(=O)Nc2ccc3N(C)C(=O)CCc3c2;CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC","InChI=1S/C18H20N2O5S/c1-20-15-7-5-13(10-12(15)4-9-18(20)21)19-26(22,23)17-8-6-14(24-2)11-16(17)25-3/h5-8,10-11,19H,4,9H2,1-3H3","","2015-02-19","2015-06-19","2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide","2015-06-24"],["URR","N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide","C24 H37 N3 O9 S2","CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)[S](=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O)c2ccccc2","InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22-,37?/m0/s1","","2022-08-23","2024-09-27","(1S,2S)-2-[(N-{[2-(benzenesulfinyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-07"],["4A8","N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide","C16 H17 N3 O4 S","O=S(=O)(c1ccc(OC)cc1)Nc2ccc3c(c2)N(C(=O)N3C)C;COc1ccc(cc1)[S](=O)(=O)Nc2ccc3N(C)C(=O)N(C)c3c2;CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC","InChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3","","2015-02-19","2015-06-19","N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide","2015-06-24"],["URS","N-PHENYLTHIOUREA","C7 H8 N2 S","S=C(Nc1ccccc1)N;NC(=S)Nc1ccccc1;c1ccc(cc1)NC(=S)N","InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)","","1999-07-15","2011-06-04","1-phenylthiourea",""],["4A9","2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide","C29 H29 F3 N8 O3 S","FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)NC(=O)c3sc(nc3)Nc5nc(nc(N4CCN(CCO)CC4)c5)C;Cc1nc(Nc2sc(cn2)C(=O)Nc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)cc(n1)N5CCN(CCO)CC5;Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F","InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)","","2015-02-19","2016-02-26","2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide","2016-03-02"],["4AA","4-CHLORO-3-HYDROXYANTHRANILIC ACID","C7 H6 Cl N O3","Clc1ccc(c(N)c1O)C(=O)O;Nc1c(O)c(Cl)ccc1C(O)=O;c1cc(c(c(c1C(=O)O)N)O)Cl","InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)","2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID","2005-01-07","2020-06-17","2-amino-4-chloro-3-hydroxybenzoic acid",""],["URT","({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid","C10 H11 F N5 O5 P","Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(O)=O)C=C3F;c1nc(c2c(n1)n(cn2)C3C(=CC(O3)OCP(=O)(O)O)F)N","InChI=1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1","","2009-11-24","2011-06-04","[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid",""],["URU","((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(2- ((((2R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate","C20 H26 N5 O14 P","O=P(O)(O)OCC2OC(N1C=CC(=O)NC1=O)C(O)C2CC(=O)NCC4OC(N3C(=O)NC(=O)C=C3)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]1CNC(=O)C[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)CC(=O)NCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O","InChI=1S/C20H26N5O14P/c26-11-1-3-24(19(32)22-11)17-14(29)8(10(39-17)7-37-40(34,35)36)5-13(28)21-6-9-15(30)16(31)18(38-9)25-4-2-12(27)23-20(25)33/h1-4,8-10,14-18,29-31H,5-7H2,(H,21,28)(H,22,26,32)(H,23,27,33)(H2,34,35,36)/t8-,9-,10-,14-,15-,16-,17-,18-/m1/s1","","2014-01-07","2014-07-03","{(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-[2-({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino)-2-oxoethyl]-4-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate (non-preferred name)","2014-07-08"],["4AB","2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE","C9 H16 N6 O2","n2c(nc1c(NC(CN1)C(O)C(O)C)c2N)N;C[CH](O)[CH](O)[CH]1CNc2nc(N)nc(N)c2N1;CC(C(C1CNc2c(c(nc(n2)N)N)N1)O)O","InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1","4-AMINO 5,6,7,8-TETRAHYDROBIOPTERIN","1999-12-16","2021-03-13","(1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol",""],["URV","[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid","C6 H14 N2 O2","CC(C)[CH](N)CNC(O)=O;CC(C)C(CNC(=O)O)N","InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1","","2019-10-12","2024-09-27","[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid","2021-02-17"],["4AC","N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE","C11 H16 N3 O9 P","O=C(NC1=NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)C;CC(=O)NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1","","2001-01-18","2025-12-12","N-acetylcytidine 5'-(dihydrogen phosphate)",""],["URW","2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide","C26 H24 F2 N6 O5","CNC(=O)[CH](C)N(Cc1ccccc1OC(F)F)C(=O)c2[nH]c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O;CC(C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N","InChI=1S/C26H24F2N6O5/c1-14(23(36)30-2)34(13-17-5-3-4-6-20(17)39-26(27)28)24(37)19-10-31-22(32-19)25(38)33-11-16-8-7-15(21(29)35)9-18(16)12-33/h3-12,14,26H,13H2,1-2H3,(H2,29,35)(H,30,36)(H,31,32)/t14-/m1/s1","","2021-03-10","2021-04-02","2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide","2021-04-07"],["4AD","4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE","C14 H21 N7 O9 P","O=C(N)CC(C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+];NC(=O)C[CH]([NH3+])C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CC(=O)N)[NH3+])O)O)N","InChI=1S/C14H20N7O9P/c15-5(1-7(16)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)21-4-20-8-11(17)18-3-19-12(8)21/h3-6,9-10,13,23-24H,1-2,15H2,(H2,16,22)(H,26,27)(H2,17,18,19)/p+1/t5-,6+,9+,10+,13+/m0/s1","ASNAMP","2005-05-20","2021-03-01","5'-O-[(R)-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["4AE","N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide","C22 H21 N3 O5 S","O=S(=O)(c1ccccc1)Nc3cc4c(cc3Oc2ccc(OC)cc2)N(C(=O)N4C)C;COc1ccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccccc4)cc1;CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4","InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-7-5-4-6-8-17)21(14-20(19)25(2)22(24)26)30-16-11-9-15(29-3)10-12-16/h4-14,23H,1-3H3","","2015-02-19","2015-06-19","N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide","2015-06-24"],["URX","[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate","C12 H17 N2 O8 P","O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O;C[CH]1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=CC(=O)NC3=O;CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O","InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8-,9+,10-,12-/m1/s1","","2010-10-11","2011-06-04","[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate",""],["URY","3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid","C22 H23 N5 O2","C(O)(=O)CCNc3nc(nc(N2CCc1ccccc1CC2)c3)c4ncccc4;OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3;c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O","InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)","","2015-12-04","2016-01-12","N-[2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-4-yl]-beta-alanine","2016-01-13"],["4AF","4-ACETYL-L-PHENYLALANINE","C11 H13 N O3","O=C(O)C(N)Cc1ccc(cc1)C(=O)C;CC(=O)c1ccc(C[CH](N)C(O)=O)cc1;CC(=O)c1ccc(cc1)CC(C(=O)O)N","InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1","P-ACETYLPHENYLALANINE","2005-05-04","2024-09-27","4-acetyl-L-phenylalanine",""],["4AG","(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE","C35 H68 O5","O=C(OC(COC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1","SN-1,2-DIPALMITOYL DIACYLGLYCEROL","2011-03-31","2020-06-17","(2R)-3-hydroxypropane-1,2-diyl dihexadecanoate",""],["US0","4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide","C16 H17 F2 N5 O2","Fc1cc(F)cc(c1)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3;c1c(cc(cc1F)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3","InChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24)","","2023-02-09","2023-06-09","4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide","2023-06-14"],["US1","2'-DEOXY-3'-THIOURIDINE 5'-(DIHYDROGEN PHOSPHATE)","C9 H13 N2 O7 P S","O=C1NC(=O)N(C=C1)C2OC(C(S)C2)COP(=O)(O)O;O[P](O)(=O)OC[CH]1O[CH](C[CH]1S)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)S","InChI=1S/C9H13N2O7PS/c12-7-1-2-11(9(13)10-7)8-3-6(20)5(18-8)4-17-19(14,15)16/h1-2,5-6,8,20H,3-4H2,(H,10,12,13)(H2,14,15,16)/t5-,6+,8-/m1/s1","","2006-10-19","2011-06-04","2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)",""],["4AH","{(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER","C39 H45 N5 O6","O=C(NC2c1ccccc1CC2O)C(O)(Cc3ccccc3)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc5ccc(c4cccnc4)cc5;COC(=O)N[CH](C(=O)NN(Cc1ccc(cc1)c2cccnc2)C[C](O)(Cc3ccccc3)C(=O)N[CH]4[CH](O)Cc5ccccc45)C(C)(C)C;CC(C)(C)C(C(=O)NN(Cc1ccc(cc1)c2cccnc2)CC(Cc3ccccc3)(C(=O)NC4c5ccccc5CC4O)O)NC(=O)OC","InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-16-18-28(19-17-27)30-14-10-20-40-23-30)25-39(49,22-26-11-6-5-7-12-26)36(47)41-33-31-15-9-8-13-29(31)21-32(33)45/h5-20,23,32-34,45,49H,21-22,24-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1","","2006-02-08","2011-06-04","methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-pyridin-3-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["US2","2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)","C10 H15 N2 O8 P S","O=C1NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O;CSC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CSC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8PS/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1","5-SMe-deoxyuridine-5'-phosphate","2009-06-10","2021-03-01","2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)",""],["4AI","(3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide","C33 H44 N6 O4","NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4;c1ccc(cc1)C(=O)CCC(=O)N2Cc3ccccc3CC2C(=O)NC(CCCNC(=N)N)C(=O)NCC4CCCCC4","InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1","PS372424","2023-01-05","2026-02-13","(3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide","2023-11-29"],["US3","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one","C10 H15 N2 O7 P Se","O=P(O)(O)OCC2OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=NC1=O)[SeH];CC1=CN(C(=NC1=O)[SeH])C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1","2-Se-Thymidine-5'-phosphate","2009-06-15","2021-03-01","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one",""],["4AJ","2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol","C14 H8 Cl2 N2 O3","Clc3c(O)c(Cl)cc(c1nnc(o1)c2cccc(O)c2)c3;Oc1cccc(c1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3;c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl","InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-2-1-3-9(19)4-7/h1-6,19-20H","","2015-02-20","2015-07-10","2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol","2015-07-15"],["US4","[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate","C21 H28 N7 O11 P","O=C1C(=CN(C(=O)N1)C5OC(COP(=O)(O)O)C(OCOCC4OC(n3cnc2c(ncnc23)N)CC4O)C5)C;CC1=CN([CH]2C[CH](OCOC[CH]3O[CH](C[CH]3O)n4cnc5c(N)ncnc45)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OCOCC3C(CC(O3)n4cnc5c4ncnc5N)O","InChI=1S/C21H28N7O11P/c1-10-4-27(21(31)26-20(10)30)16-3-12(14(39-16)6-37-40(32,33)34)36-9-35-5-13-11(29)2-15(38-13)28-8-25-17-18(22)23-7-24-19(17)28/h4,7-8,11-16,29H,2-3,5-6,9H2,1H3,(H2,22,23,24)(H,26,30,31)(H2,32,33,34)/t11-,12-,13+,14+,15+,16+/m0/s1","","2009-06-12","2015-03-19","[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",""],["4AK","N~6~-sulfo-L-lysine","C6 H14 N2 O5 S","O=S(=O)(O)NCCCCC(C(=O)O)N;N[CH](CCCCN[S](O)(=O)=O)C(O)=O;C(CCNS(=O)(=O)O)CC(C(=O)O)N","InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1","","2015-02-20","2024-09-27","N~6~-sulfo-L-lysine","2015-07-15"],["US5","1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one","C9 H13 N2 O8 P Se","O=P(O)(O)OCC2OC(N1C(=O)N=C([SeH])C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)[SeH];C1=CN(C(=O)N=C1[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1","4-Se-ribouridine-5'-phosphate","2009-07-17","2021-03-01","1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one",""],["4AL","[4-(aminomethyl)phenyl]methanol","C8 H11 N O","NCc1ccc(CO)cc1;c1cc(ccc1CN)CO","InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2","","2009-11-05","2011-06-04","[4-(aminomethyl)phenyl]methanol",""],["4AM","4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID","C11 H18 N2 O7","O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(C=1)N;CC(=O)N[CH]1[CH](N)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N","InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1","4-amino-Neu5Ac2en","1999-07-08","2020-07-17","5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid",""],["US6","(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone","C35 H45 N O10","C[CH]1C=CC=C(C)C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C(=O)C(=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH]1O)C;Cc1c(c2c3c(c1O)C(=O)C(=CC3=O)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C(C=C(C2=O)C)C)O)C)O)C)O)C)O)C)C)O","InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1","34a-Deoxy-rifamycin W ","2023-09-11","2025-03-07","","2025-03-12"],["4AN","6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE","C12 H8 N2 O2","O=C2c1c3c(c(cc1)N)cccc3C(=O)N2;Nc1ccc2C(=O)NC(=O)c3cccc1c23;c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N","InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)","4-AMINO-1,8-NAPHTHALIMIDE","1999-07-08","2020-06-17","6-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione",""],["US7","1-[4-(methylsulfonyl)phenyl]piperazine","C11 H16 N2 O2 S","N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2;C[S](=O)(=O)c1ccc(cc1)N2CCNCC2;CS(=O)(=O)c1ccc(cc1)N2CCNCC2","InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3","","2020-05-28","2020-06-05","1-[4-(methylsulfonyl)phenyl]piperazine","2020-06-10"],["US8","2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide","C16 H16 N2 O2 S","CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3;CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3","InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)","2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide","2021-03-10","2024-09-27","2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide","2021-06-16"],["4AO","2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine","C12 H15 N5 O","n2c1c(cccc1C)c(OCC)nc2N=C(/N)N;CCOc1nc(N=C(N)N)nc2c(C)cccc12;CCOc1c2cccc(c2nc(n1)N=C(N)N)C","InChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)","","2015-02-20","2016-02-26","2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine","2016-03-02"],["US9","(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide","C15 H19 F3 N2 O4 S","O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1;CC[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2;CCS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(cc2)OC(F)(F)F","InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1","","2022-08-24","2024-09-27","(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide","2023-05-10"],["4AP","4-AMINOPYRIDINE","C5 H7 N2","Nc1cc[nH+]cc1;Nc1cc[nH+]cc1;c1c[nH+]ccc1N","InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/p+1","","1999-07-08","2011-06-04","4-aminopyridinium",""],["USA","(E)-1-(1H-imidazol-2-yl)methanimine","C4 H5 N3","n1ccnc1/C=N;N=Cc1[nH]ccn1;c1cnc([nH]1)C=N","InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+","","2020-05-28","2024-09-27","(E)-1-(1H-imidazol-2-yl)methanimine","2020-06-10"],["4AQ","2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine","C16 H19 N3","N(CCc2c1ccccc1nc2)Cc3cccn3C;Cn1cccc1CNCCc2c[nH]c3ccccc23;Cn1cccc1CNCCc2c[nH]c3c2cccc3","InChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3","","2015-02-20","2016-02-26","2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine","2016-03-02"],["USB","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate","C16 H25 N6 O8 P","CC(C)C[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)CC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C16H25N6O8P/c1-7(2)3-8(17)16(25)30-31(26,27)28-4-9-11(23)12(24)15(29-9)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1","","2021-03-11","2022-08-26","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate","2022-08-31"],["4AR","amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium","C16 H25 N4 O3","O=C(OCC(=O)C(N)CCCNC(=[NH2+])N)c1c(cccc1C)C;Cc1cccc(C)c1C(=O)OCC(=O)[CH](N)CCCNC(N)=[NH2+];Cc1cccc(c1C(=O)OCC(=O)C(CCCNC(=[NH2+])N)N)C","InChI=1S/C16H24N4O3/c1-10-5-3-6-11(2)14(10)15(22)23-9-13(21)12(17)7-4-8-20-16(18)19/h3,5-6,12H,4,7-9,17H2,1-2H3,(H4,18,19,20)/p+1/t12-/m0/s1","","2013-01-09","2024-09-27","amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium",""],["4AS","N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine","C6 H11 N3","n1ccn(c1CNC)C;CNCc1nccn1C;CNCc1nccn1C","InChI=1S/C6H11N3/c1-7-5-6-8-3-4-9(6)2/h3-4,7H,5H2,1-2H3","","2015-02-21","2016-02-26","N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine","2016-03-02"],["USC","5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid","C9 H9 N O6 S","O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C;C[S](=O)(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O;CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O","InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)","","2011-12-08","2024-09-27","5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid","2013-01-11"],["USD","(E)-1-(pyrimidin-2-yl)methanimine","C5 H5 N3","n1cccnc1/C=N;N=Cc1ncccn1;c1cnc(nc1)C=N","InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+","","2020-05-28","2024-09-27","(E)-1-(pyrimidin-2-yl)methanimine","2020-06-10"],["4AT","5-OXOHEXANOIC ACID","C6 H10 O3","O=C(C)CCCC(=O)O;CC(=O)CCCC(O)=O;CC(=O)CCCC(=O)O","InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)","4-ACETYLBUTYRIC ACID","2007-02-28","2021-03-01","5-oxohexanoic acid",""],["USE","Orientin","C21 H20 O11","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4;c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)C4C(C(C(C(O4)CO)O)O)O)O)O)O)O","InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1","2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one; 5281675; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","2021-03-12","2021-07-23","2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one","2021-07-28"],["4AU","1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone","C12 H9 N3 O","O=C(c2nc1ccccc1n2)c3cccn3;O=C(c1[nH]ccc1)c2[nH]c3ccccc3n2;c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3","InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15)","","2012-05-15","2014-09-05","1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone","2013-02-01"],["USF","2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one","C27 H29 F N8 O2","CC(C)N1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)c5cnc6OCCNc6c5C)nn2CC1=O;Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N)Nc5cc6n(n5)CC(=O)N(CC6)C(C)C","InChI=1S/C27H29FN8O2/c1-14(2)35-6-4-17-10-22(34-36(17)13-23(35)37)33-21-9-16-8-18(24(28)25(29)20(16)12-31-21)19-11-32-27-26(15(19)3)30-5-7-38-27/h8-12,14,30H,4-7,13,29H2,1-3H3,(H,31,33,34)","2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one","2023-02-10","2023-08-11","2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one","2023-08-16"],["4AV","1-(2-chloro-5-nitrophenyl)-N-methylmethanamine","C8 H9 Cl N2 O2","Clc1ccc(cc1CNC)[N+]([O-])=O;CNCc1cc(ccc1Cl)[N+]([O-])=O;CNCc1cc(ccc1Cl)[N+](=O)[O-]","InChI=1S/C8H9ClN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3","","2015-02-21","2016-02-26","1-(2-chloro-5-nitrophenyl)-N-methylmethanamine","2016-03-02"],["4AW","4-AZATRYPTOPHAN","C10 H11 N3 O2","O=C(O)C(N)Cc2c1ncccc1nc2;N[CH](Cc1c[nH]c2cccnc12)C(O)=O;c1cc2c(c(c[nH]2)CC(C(=O)O)N)nc1","InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1","","2012-07-16","2024-09-27","3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine","2013-05-29"],["USG","4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one","C22 H25 F2 N O2","C2CN(CCCC(c1ccc(cc1)F)=O)CCC2(Cc3ccc(cc3)F)O;OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F)cc3;c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F","InChI=1S/C22H25F2NO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2","","2020-05-29","2021-05-28","1-(4-fluorophenyl)-4-{4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl}butan-1-one","2021-06-02"],["4AX","(R)-4-AMINO-ISOXAZOLIDIN-3-ONE","C3 H6 N2 O2","O=C1NOCC1N;N[CH]1CONC1=O;C1C(C(=O)NO1)N","InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1","","2003-05-19","2011-06-04","(4R)-4-aminoisoxazolidin-3-one",""],["USH","2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide","C14 H19 Cl N2 O3","CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl;CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl","InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)","","2021-03-12","2024-09-27","2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide","2021-06-16"],["USI","~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine","C20 H19 N5 O","COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2;COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc[nH]4","InChI=1S/C20H19N5O/c1-26-16-4-2-3-14(10-16)18-11-19(25-20(21)24-18)23-12-13-5-6-17-15(9-13)7-8-22-17/h2-11,22H,12H2,1H3,(H3,21,23,24,25)","","2023-06-18","2024-03-22","~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine","2024-03-27"],["4AY","4-(bromomethyl)benzoic acid","C8 H7 Br O2","BrCc1ccc(C(=O)O)cc1;OC(=O)c1ccc(CBr)cc1;c1cc(ccc1CBr)C(=O)O","InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)","","2015-02-21","2024-09-27","4-(bromomethyl)benzoic acid","2016-03-02"],["USJ","(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol","C9 H11 N O2","c1cc2c(cc1)C(N(C2O)C)O;CN1[CH](O)c2ccccc2[CH]1O;CN1C(c2ccccc2C1O)O","InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8-9,11-12H,1H3/t8-,9-/m0/s1","","2020-05-29","2020-06-05","(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol","2020-06-10"],["4AZ","4-(aminomethyl)benzoic acid","C8 H9 N O2","NCc1ccc(cc1)C(O)=O;c1cc(ccc1CN)C(=O)O","InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)","","2009-11-04","2011-06-04","4-(aminomethyl)benzoic acid",""],["USK","(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide","C23 H23 N5 O5 S2","ONC(=O)C[CH](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3C(Cc4ccc(cc4)O)CC(=O)NO","InChI=1S/C23H23N5O5S2/c29-20-8-6-16(7-9-20)12-18(13-22(30)26-31)28-19(14-24-27-28)15-25-35(32,33)23-11-10-21(34-23)17-4-2-1-3-5-17/h1-11,14,18,25,29,31H,12-13,15H2,(H,26,30)/t18-/m0/s1","","2021-03-12","2022-06-17","(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide","2022-06-22"],["4B0","3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol","C9 H7 Br4 N3 O","Brc2c1c(nnn1CCCO)c(Br)c(Br)c2Br;OCCCn1nnc2c(Br)c(Br)c(Br)c(Br)c12;C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO","InChI=1S/C9H7Br4N3O/c10-4-5(11)7(13)9-8(6(4)12)14-15-16(9)2-1-3-17/h17H,1-3H2","","2010-08-16","2011-06-04","3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol",""],["4B1","N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide","C30 H29 N5 O8 S2","O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc([N+]([O-])=O)cc2)CNC3)Cc4ccccc4)c5cc([N+]([O-])=O)ccc5;[O-][N+](=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5cccc(c5)[N+]([O-])=O;c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-]","InChI=1S/C30H29N5O8S2/c36-34(37)25-14-16-27(17-15-25)44(40,41)32(21-23-8-3-1-4-9-23)29-19-31-20-30(29)33(22-24-10-5-2-6-11-24)45(42,43)28-13-7-12-26(18-28)35(38)39/h1-18,29-31H,19-22H2/t29-,30-/m0/s1","","2015-02-23","2016-01-29","N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide","2016-02-03"],["USL","3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline","C23 H24 F N3 O9","O=C(O)C1=CN(C2CC2)c2cc(c(F)cc2C1=O)N1CCN(C=C1)C1OC(C(O)C(O)C1O)C(=O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(C=C2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5;c1c2c(cc(c1F)N3CCN(C=C3)C4C(C(C(C(O4)C(=O)O)O)O)O)N(C=C(C2=O)C(=O)O)C5CC5","InChI=1S/C23H24FN3O9/c24-13-7-11-14(27(10-1-2-10)9-12(16(11)28)22(32)33)8-15(13)25-3-5-26(6-4-25)21-19(31)17(29)18(30)20(36-21)23(34)35/h3,5,7-10,17-21,29-31H,1-2,4,6H2,(H,32,33)(H,34,35)/t17-,18-,19+,20-,21+/m0/s1","","2022-08-24","2023-06-16","3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline","2023-06-21"],["4B2","(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","C15 H14 F2 N4 S","Fc2c(c1cncnc1)cc(c(F)c2)C3(N=C(SCC3)N)C;C[C]1(CCSC(=N1)N)c2cc(c(F)cc2F)c3cncnc3;CC1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3","InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1","LY2811376; BACE inhibitor","2015-02-23","2020-06-17","(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine","2015-04-01"],["USM","2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate)","C10 H15 N2 O8 P S","O=C1NC(=O)N(C=C1)C2OC(C(O)C2SC)COP(=O)(O)O;CS[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;CSC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H15N2O8PS/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1","","2008-10-29","2011-06-04","2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate)",""],["4B3","4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID","C23 H28 Br N O5 S","O=C(O)c3sc(c1cc(ccc1)NC2CC(C)(C)CC(C)(C)C2)c(Br)c3OCC(=O)O;CC1(C)CC(CC(C)(C)C1)Nc2cccc(c2)c3sc(C(O)=O)c(OCC(O)=O)c3Br;CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C","InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-6-13(8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)","","2006-06-26","2011-06-04","4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid",""],["USN","Dimethylated-F430 cofactor","C44 H55 N6 Ni O13","C[CH]1C[C]2(C)[CH](CC(O)=O)[CH]3CC4=N[CH](C[C]56NC(=O)C[C]5(C)[CH](CCC(O)=O)C(=N6)C=C7[CH](CC(O)=O)[CH](CCC(O)=O)C(=C(C1=O)C2=N3)[N]7[Ni])[CH](CCC(O)=O)[C]4(C)CC(N)=O;CC1CC2(C(C3CC4=[N]5C(CC67C(CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C(C4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C","InChI=1S/C44H56N6O13.Ni/c1-19-15-42(3)24(12-36(61)62)26-14-29-41(2,17-30(45)51)22(6-9-33(55)56)28(46-29)16-44-43(4,18-31(52)50-44)23(7-10-34(57)58)27(49-44)13-25-21(11-35(59)60)20(5-8-32(53)54)38(47-25)37(39(19)63)40(42)48-26;/h13,19-24,26,28H,5-12,14-18H2,1-4H3,(H9,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t19-,20?,21?,22?,23?,24?,26?,28?,41-,42-,43-,44-;/m0./s1","","2021-03-14","2021-07-09","","2021-07-14"],["USP","(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol","C8 H10 N2 O2","c1(ccc2c(c1)OC(O)N2C)N;CN1[CH](O)Oc2cc(N)ccc12;CN1c2ccc(cc2OC1O)N","InChI=1S/C8H10N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4,8,11H,9H2,1H3/t8-/m1/s1","","2020-05-29","2020-06-05","(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol","2020-06-10"],["4B5","N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide","C39 H52 N4 O6","O=C(N)C(NC(=O)C(NC(=O)C(Cc1ccccc1)CC(O)C(NC(=O)OC(C)(C)C)Cc2ccccc2)CC(C)C)Cc3ccccc3;CC(C)C[CH](NC(=O)[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O;CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O","InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34+/m1/s1","","2015-02-24","2015-03-13","N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide","2015-03-18"],["USQ","SULFOQUINOVOSE-URIDINE-C1,5'-DIPHOSPHATE","C15 H24 N2 O19 P2 S","O=P(OC1OC(C(O)C(O)C1O)CS(=O)(=O)O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O;O[CH]1[CH](O)[CH](C[S](O)(=O)=O)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CS(=O)(=O)O)O)O)O)O)O","InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1","","2001-02-13","2011-06-04","[(2S,3S,4S,5R,6R)-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methanesulfonic acid (non-preferred name)",""],["4B6","N-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide","C17 H14 F N3 O S","CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2F)n1;CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2;CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F","InChI=1S/C17H14FN3OS/c1-11(22)19-13-8-6-12(7-9-13)16-10-23-17(21-16)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,19,22)(H,20,21)","","2021-07-08","2022-04-22","N-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide","2022-04-27"],["USR","methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside","C18 H31 N O15","OCC(O)C(O)C1OC(OC2C(O)C(OC)OC(CO)C2O)(CC(O)C1NC(=O)CO)C(=O)O;CO[CH]1O[CH](CO)[CH](O)[CH](O[C]2(C[CH](O)[CH](NC(=O)CO)[CH](O2)[CH](O)[CH](O)CO)C(O)=O)[CH]1O;COC1C(C(C(C(O1)CO)O)OC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)CO)O)C(=O)O)O","InChI=1S/C18H31NO15/c1-31-16-13(28)15(12(27)8(4-21)32-16)34-18(17(29)30)2-6(23)10(19-9(25)5-22)14(33-18)11(26)7(24)3-20/h6-8,10-16,20-24,26-28H,2-5H2,1H3,(H,19,25)(H,29,30)/t6-,7-,8+,10+,11+,12-,13-,14+,15-,16+,18-/m0/s1","","2023-09-06","2024-05-10","methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside","2024-05-15"],["4B7","2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide","C27 H29 N7 O3 S","O=C(c1sc(nc1)Nc3nc(nc(N2CCN(CCO)CC2)c3)C)Nc5ccc(Oc4ccccc4)cc5;Cc1nc(Nc2sc(cn2)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc(n1)N5CCN(CCO)CC5;Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5","InChI=1S/C27H29N7O3S/c1-19-29-24(17-25(30-19)34-13-11-33(12-14-34)15-16-35)32-27-28-18-23(38-27)26(36)31-20-7-9-22(10-8-20)37-21-5-3-2-4-6-21/h2-10,17-18,35H,11-16H2,1H3,(H,31,36)(H,28,29,30,32)","","2015-02-24","2016-02-26","2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide","2016-03-02"],["USS","3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one","C22 H22 F N3 O2","Fc4ccc(C(=O)CCCN1CC=C(CC1)N2C(Nc3c2cccc3)=O)cc4;Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N3C(=O)Nc4ccccc34;c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F","InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)","droperidol","2020-05-29","2021-05-28","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one","2021-06-02"],["4B8","2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol","C14 H8 Cl2 N2 O3","Clc3c(O)c(Cl)cc(c1nnc(o1)c2ccc(O)cc2)c3;Oc1ccc(cc1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3;c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O","InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-1-3-9(19)4-2-7/h1-6,19-20H","","2015-02-25","2015-07-10","2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol","2015-07-15"],["UST","4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde","C15 H13 N O3 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23;c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2","","2021-03-15","2024-09-27","4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde","2021-06-09"],["4BA","4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID","C11 H13 N O4","O=C(O)c1ccc(cc1)CNCCC(=O)O;OC(=O)CCNCc1ccc(cc1)C(O)=O;c1cc(ccc1CNCCC(=O)O)C(=O)O","InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16)","","2000-08-08","2024-09-27","4-{[(2-carboxyethyl)amino]methyl}benzoic acid",""],["USU","(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide","C27 H27 F N4 O3","Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C)C(=O)N(CC21)Cc1cccc2ccccc21;C[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(F)cc5;CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3)F)Cc4cccc5c4cccc5","InChI=1S/C27H27FN4O3/c1-18-26(34)30(16-21-7-4-6-20-5-2-3-8-23(20)21)17-24-31(14-13-25(33)32(18)24)27(35)29-15-19-9-11-22(28)12-10-19/h2-12,18,24H,13-17H2,1H3,(H,29,35)/t18-,24+/m0/s1","","2022-08-24","2023-06-30","(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide","2023-07-05"],["4BB","4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","C18 H18 Br2 N2 O3","Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(cc2)C(C)(C)C;CC(C)(C)c1ccc(cc1)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O;CC(C)(C)c1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br","InChI=1S/C18H18Br2N2O3/c1-18(2,3)12-6-4-10(5-7-12)17(25)22-21-9-11-8-13(19)16(24)14(20)15(11)23/h4-9,23-24H,1-3H3,(H,22,25)/b21-9+","","2008-07-16","2011-06-04","4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",""],["USV","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C22 H23 Cl2 N3 O3 S","Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4;C=CC1CN(C(=O)C2CCCC1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4","InChI=1S/C22H23Cl2N3O3S/c1-2-15-13-26(14-18-6-3-4-9-25-18)22(28)21-8-5-7-20(15)27(21)31(29,30)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21H,1,5,7-8,13-14H2/t15-,20+,21-/m0/s1","","2023-02-11","2023-09-01","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2023-09-06"],["4BC","4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID","C19 H16 N2 O6","O=C(O)c4nnc(c1cc(c(O)cc1O)CC)c4c2ccc3OCOc3c2;CCc1cc(c(O)cc1O)c2n[nH]c(C(O)=O)c2c3ccc4OCOc4c3;CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4","InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,22-23H,2,8H2,1H3,(H,20,21)(H,24,25)","","2005-02-01","2011-06-04","4-(1,3-benzodioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid",""],["USW","4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde","C15 H12 Cl N O4 S","Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3;c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl","InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2","","2021-03-15","2024-09-27","4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde","2021-06-09"],["4BD","5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine","C11 H17 F2 N2 O13 P3","O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C(F)(F)[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C(F)(F)P(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-29(19,20)11(12,13)30(21,22)28-31(23,24)25/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,21,22)(H,14,17,18)(H2,23,24,25)/t6-,7+,8+/m0/s1","","2009-03-20","2011-06-04","5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine",""],["USX","2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide","C20 H20 N2 O5","COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O;CC(=O)N1c2ccccc2C(=O)C1Cc3ccc(c(c3)OC)OCC(=O)N","InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1","","2023-06-19","2024-09-27","2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide","2024-06-19"],["4BE","4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","C14 H9 Br3 N2 O3","Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(Br)cc2;Oc1c(Br)cc(C=NNC(=O)c2ccc(Br)cc2)c(O)c1Br;c1cc(ccc1C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br)Br","InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+","","2008-07-16","2011-06-04","4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",""],["USY","N-[4-(4-fluorophenyl)-4-oxobutyl]guanidine","C11 H14 F N3 O","C(=N)(N)NCCCC(c1ccc(F)cc1)=O;NC(=N)NCCCC(=O)c1ccc(F)cc1;c1cc(ccc1C(=O)CCCNC(=N)N)F","InChI=1S/C11H14FN3O/c12-9-5-3-8(4-6-9)10(16)2-1-7-15-11(13)14/h3-6H,1-2,7H2,(H4,13,14,15)","","2020-06-01","2021-05-28","N-[4-(4-fluorophenyl)-4-oxobutyl]guanidine","2021-06-02"],["4BF","4-BROMO-L-PHENYLALANINE","C9 H10 Br N O2","Brc1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(Br)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)Br","InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","P-BROMO-L-PHENYLALANINE","2005-08-22","2024-09-27","4-bromo-L-phenylalanine",""],["USZ","~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide","C28 H32 F N3 O2","CCC(=O)N([CH](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C)(C)C;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCc3cccc(c3)F","InChI=1S/C28H32FN3O2/c1-5-25(33)32(24-13-11-22(12-14-24)28(2,3)4)26(21-9-7-16-30-19-21)27(34)31-17-15-20-8-6-10-23(29)18-20/h6-14,16,18-19,26H,5,15,17H2,1-4H3,(H,31,34)/t26-/m1/s1","","2021-03-16","2024-09-27","~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide","2021-07-07"],["4BG","N-[4-(benzyloxy)phenyl]glycinamide","C15 H16 N2 O2","O=C(Nc2ccc(OCc1ccccc1)cc2)CN;NCC(=O)Nc1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)NC(=O)CN","InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)","2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide","2008-03-14","2020-06-17","N-[4-(benzyloxy)phenyl]glycinamide",""],["UT0","1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone","C19 H20 N2 O4 S","CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O;CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C","InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3","UT07C","2016-12-09","2021-03-01","1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone","2017-12-20"],["4BH","4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL","C13 H15 Cl N4 O2","Clc1cc(c(O)cc1O)c2c(cnn2)N3CCNCC3;Oc1cc(O)c(cc1Cl)c2[nH]ncc2N3CCNCC3;c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3","InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17)","","2006-01-18","2011-06-04","4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,3-diol",""],["UT2","N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide","C19 H17 N3 O7 S2","COc1ccc(N[S](=O)(=O)c2cc(NC(=O)c3sc(cc3)[N](=O)=O)ccc2OC)cc1;COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O","InChI=1S/C19H17N3O7S2/c1-28-14-6-3-12(4-7-14)21-31(26,27)17-11-13(5-8-15(17)29-2)20-19(23)16-9-10-18(30-16)22(24)25/h3-11,21H,1-2H3,(H,20,23)","~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide; N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide","2021-03-16","2022-03-25","~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide","2022-03-30"],["4BI","(2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid","C22 H22 Cl N O3","O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c3ccc(Cl)cc3;Cc1nc2ccccc2c(c3ccc(Cl)cc3)c1[CH](OC(C)(C)C)C(O)=O;Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)C(C(=O)O)OC(C)(C)C","InChI=1S/C22H22ClNO3/c1-13-18(20(21(25)26)27-22(2,3)4)19(14-9-11-15(23)12-10-14)16-7-5-6-8-17(16)24-13/h5-12,20H,1-4H3,(H,25,26)/t20-/m0/s1","","2014-01-09","2014-06-20","(2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid","2014-06-25"],["UT4","3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one","C19 H18 N2 O4 S","C2(C=C(N1CCNCC1)Oc3c2scc3c5ccc4OCCOc4c5)=O;O=C1C=C(Oc2c1scc2c3ccc4OCCOc4c3)N5CCNCC5;c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2","InChI=1S/C19H18N2O4S/c22-14-10-17(21-5-3-20-4-6-21)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11,20H,3-8H2","","2020-06-01","2020-07-31","3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one","2020-08-05"],["4BJ","N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide","C30 H29 N3 O7 S","O=S(=O)(c1cc(OC)c(OC)cc1)Nc4cc5c(cc4Oc3cccc(OCc2ccccc2)c3)N(C(=O)N5C)C;COc1ccc(cc1OC)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2Oc4cccc(OCc5ccccc5)c4;CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC","InChI=1S/C30H29N3O7S/c1-32-25-17-24(31-41(35,36)23-13-14-27(37-3)29(16-23)38-4)28(18-26(25)33(2)30(32)34)40-22-12-8-11-21(15-22)39-19-20-9-6-5-7-10-20/h5-18,31H,19H2,1-4H3","","2015-02-25","2015-06-19","N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide","2015-06-24"],["4BK","N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide","C24 H29 N5 O5 S","O=S(=O)(c1nc(n(c1)C)C)Nc3cc4c(cc3Oc2cccc(OCC(C)C)c2)N(C(=O)N4C)C;CC(C)COc1cccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4cn(C)c(C)n4)c1;Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C","InChI=1S/C24H29N5O5S/c1-15(2)14-33-17-8-7-9-18(10-17)34-22-12-21-20(28(5)24(30)29(21)6)11-19(22)26-35(31,32)23-13-27(4)16(3)25-23/h7-13,15,26H,14H2,1-6H3","","2015-02-25","2015-06-19","N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide","2015-06-24"],["UT5","N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide","C20 H21 F N4 O2","COc1cc(F)ccc1c2ccnc3nc([nH]c23)[CH]4CC[CH](C4)NC(C)=O;CC(=O)NC1CCC(C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F","InChI=1S/C20H21FN4O2/c1-11(26)23-14-5-3-12(9-14)19-24-18-16(7-8-22-20(18)25-19)15-6-4-13(21)10-17(15)27-2/h4,6-8,10,12,14H,3,5,9H2,1-2H3,(H,23,26)(H,22,24,25)/t12-,14-/m1/s1","~{N}-[(1~{R},3~{R})-3-[7-(4-fluoranyl-2-methoxy-phenyl)-1~{H}-imidazo[4,5-b]pyridin-2-yl]cyclopentyl]ethanamide","2021-03-17","2021-10-22","~{N}-[(1~{R},3~{R})-3-[7-(4-fluoranyl-2-methoxy-phenyl)-1~{H}-imidazo[4,5-b]pyridin-2-yl]cyclopentyl]ethanamide","2021-10-27"],["4BL","6-methyl-1H-indole-2-carboxylic acid","C10 H9 N O2","O=C(O)c2cc1ccc(cc1n2)C;Cc1ccc2cc([nH]c2c1)C(O)=O;Cc1ccc2cc([nH]c2c1)C(=O)O","InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13)","","2009-10-21","2011-06-04","6-methyl-1H-indole-2-carboxylic acid",""],["UT6","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C22 H23 Cl2 N3 O2 S","Clc1cc(Cl)cc(c1)[S](=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4;C=CC1CN(C(=O)C2CCCC1N2S(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4","InChI=1S/C22H23Cl2N3O2S/c1-2-15-13-26(14-18-6-3-4-9-25-18)22(28)21-8-5-7-20(15)27(21)30(29)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21H,1,5,7-8,13-14H2/t15-,20+,21-,30+/m0/s1","","2023-02-11","2023-09-01","(1~{S},5~{S},6~{R})-10-[(~{R})-[3,5-bis(chloranyl)phenyl]sulfinyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2023-09-06"],["4BM","N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide","C16 H14 F3 I N2 O4","O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F;OC[CH](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOCC(CO)O","InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1","","2008-10-13","2011-06-04","N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide",""],["UT7","oxa(dethia)-CoA","C21 H36 N7 O17 P3","OCCNC(=O)CCNC(C(O)C(COP(OP(O)(=O)OCC1C(OP(O)(O)=O)C(O)C(O1)n3c2ncnc(c2nc3)N)(O)=O)(C)C)=O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCO;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCO)O","InChI=1S/C21H36N7O17P3/c1-21(2,16(32)19(33)24-4-3-12(30)23-5-6-29)8-42-48(39,40)45-47(37,38)41-7-11-15(44-46(34,35)36)14(31)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,29,31-32H,3-8H2,1-2H3,(H,23,30)(H,24,33)(H,37,38)(H,39,40)(H2,22,25,26)(H2,34,35,36)/t11-,14-,15-,16+,20-/m1/s1","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl\n(3R)-3-hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate","2020-06-01","2021-05-28","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2021-06-02"],["4BN","3-oxo-4-pregnene-20-carboxyl-Coenzyme A","C43 H66 N7 O18 P3 S","O=C7C=C6CCC5C(CCC1(C)C5CCC1C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C)C6(C)CC7;C[CH]([CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O[P](O)(O)=O)n6cnc7c(N)ncnc67;CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O","InChI=1S/C43H66N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-23,26-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t23-,26-,27+,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1","","2014-10-15","2014-10-24","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)","2014-10-29"],["UT8","4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde","C16 H15 N O5 S","COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3;COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3","","2021-03-17","2024-09-27","4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde","2021-06-09"],["UTA","acetyl-oxa(dethia)-CoA","C23 H38 N7 O18 P3","n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(O)(=O)OP(OCC(C)(C)C(C(NCCC(NCCOC(C)=O)=O)=O)O)(=O)O)OP(O)(O)=O;CC(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C23H38N7O18P3/c1-12(31)43-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-45-51(41,42)48-50(39,40)44-8-13-17(47-49(36,37)38)16(33)22(46-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1","(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl acetate","2020-06-01","2021-05-28","(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl acetate (non-preferred name)","2021-06-02"],["4BO","(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid","C17 H18 N2 O4","O=C(O)CC(N)C(=O)Nc2ccc(OCc1ccccc1)cc2;N[CH](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)NC(=O)C(CC(=O)O)N","InChI=1S/C17H18N2O4/c18-15(10-16(20)21)17(22)19-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,22)(H,20,21)/t15-/m0/s1","","2008-03-18","2011-06-04","N-[4-(benzyloxy)phenyl]-L-alpha-asparagine",""],["UTB","1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione","C27 H20 N2 O5","OC[CH]1O[CH](C[CH]1O)N2C=C(C#Cc3ccc4ccc5cccc6ccc3c4c56)C(=O)NC2=O;c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)C6CC(C(O6)CO)O","InChI=1S/C27H20N2O5/c30-14-22-21(31)12-23(34-22)29-13-19(26(32)28-27(29)33)9-5-15-4-6-18-8-7-16-2-1-3-17-10-11-20(15)25(18)24(16)17/h1-4,6-8,10-11,13,21-23,30-31H,12,14H2,(H,28,32,33)/t21-,22+,23+/m0/s1","","2021-03-17","2021-07-30","1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione","2021-08-04"],["4BP","4,4'-bis(bromomethyl)biphenyl","C14 H12 Br2","BrCc2ccc(c1ccc(cc1)CBr)cc2;BrCc1ccc(cc1)c2ccc(CBr)cc2;c1cc(ccc1CBr)c2ccc(cc2)CBr","InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2","","2012-09-28","2024-09-27","4,4'-bis(bromomethyl)biphenyl","2012-11-30"],["4BQ","(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid","C18 H20 N2 O4","O=C(O)C(N)CCC(=O)Nc2ccc(OCc1ccccc1)cc2;N[CH](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O;c1ccc(cc1)COc2ccc(cc2)NC(=O)CCC(C(=O)O)N","InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1","N-[4-(phenylmethoxy)phenyl]-L-glutamine","2008-03-14","2021-03-01","N-[4-(benzyloxy)phenyl]-L-glutamine",""],["UTC","(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide","C33 H32 N4 O4","Oc1ccc(cc1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2ccccc21;Oc1ccc(C[CH]2N3[CH](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1;c1ccc(cc1)CNC(=O)N2CCC(=O)N3C2CN(C(=O)C3Cc4ccc(cc4)O)Cc5cccc6c5cccc6","InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1","","2022-08-25","2023-06-30","(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide","2023-07-05"],["UTD","4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one","C21 H21 Cl F N O","Fc3ccc(C(=O)CCCN1CC=C(CC1)c2ccc(cc2)Cl)cc3;Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)c3ccc(Cl)cc3;c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl","InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2","","2020-06-01","2021-05-28","4-[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-(4-fluorophenyl)butan-1-one","2021-06-02"],["4BR","2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE","C9 H12 O3 P","[O-]P(=O)CCOc1ccc(cc1)C;Cc1ccc(OCC[PH]([O-])=O)cc1;Cc1ccc(cc1)OCCP(=O)[O-]","InChI=1S/C9H13O3P/c1-8-2-4-9(5-3-8)12-6-7-13(10)11/h2-5,13H,6-7H2,1H3,(H,10,11)/p-1","","2003-05-23","2011-06-04","[2-(4-methylphenoxy)ethyl]phosphinate",""],["UTE","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile","C20 H14 F3 N3 O3","Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(C)cc2C#N;Cc1ccccc1Oc2cc(c(cc2C#N)C)N3C(=O)C=C(NC3=O)C(F)(F)F","InChI=1S/C20H14F3N3O3/c1-11-5-3-4-6-15(11)29-16-8-14(12(2)7-13(16)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28)","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile","2021-03-17","2022-10-28","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile","2022-11-02"],["4BS","4-amino-N-[4-(benzyloxy)phenyl]butanamide","C17 H20 N2 O2","O=C(Nc2ccc(OCc1ccccc1)cc2)CCCN;NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN","InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)","","2008-03-17","2011-06-04","4-amino-N-[4-(benzyloxy)phenyl]butanamide",""],["UTF","(9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid","C43 H58 N6 O8","C[CH]1NC(=O)[CH](Cc2ccc(NC(=O)[CH](NC(=O)Cc3ccccc3)C4CCCCC4)cc2)NC(=O)CC5(CCCC5)CC(=O)N[CH](CCCCNC1=O)C(O)=O;CC1C(=O)NCCCCC(NC(=O)CC2(CCCC2)CC(=O)NC(C(=O)N1)Cc3ccc(cc3)NC(=O)C(C4CCCCC4)NC(=O)Cc5ccccc5)C(=O)O","InChI=1S/C43H58N6O8/c1-28-39(53)44-23-11-8-16-33(42(56)57)47-36(51)26-43(21-9-10-22-43)27-37(52)48-34(40(54)45-28)24-30-17-19-32(20-18-30)46-41(55)38(31-14-6-3-7-15-31)49-35(50)25-29-12-4-2-5-13-29/h2,4-5,12-13,17-20,28,31,33-34,38H,3,6-11,14-16,21-27H2,1H3,(H,44,53)(H,45,54)(H,46,55)(H,47,51)(H,48,52)(H,49,50)(H,56,57)/t28-,33+,34+,38+/m1/s1","","2023-02-13","2023-12-01","(9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid","2023-12-06"],["4BT","2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA","C12 H18 N4 S2","S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N;NC(=N)SCCc1ccc(CCSC(N)=N)cc1;[H]N=C(N)SCCc1ccc(cc1)CCSC(=N)N","InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)","S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA","1999-09-23","2020-06-17","benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate)",""],["UTG","N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea","C12 H11 Cl N2 O S","c1cccc(c1NC(NCc2ccco2)=S)Cl;Clc1ccccc1NC(=S)NCc2occc2;c1ccc(c(c1)NC(=S)NCc2ccco2)Cl","InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17)","","2020-06-01","2021-07-23","N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea","2021-07-28"],["4BU","(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid","C19 H22 N2 O5","O=C(O)C(N)CCC(=O)Nc2ccc(OCC(O)c1ccccc1)cc2;N[CH](CCC(=O)Nc1ccc(OC[CH](O)c2ccccc2)cc1)C(O)=O;c1ccc(cc1)C(COc2ccc(cc2)NC(=O)CCC(C(=O)O)N)O","InChI=1S/C19H22N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)/t16-,17+/m0/s1","","2008-03-17","2011-06-04","N-{4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl}-L-glutamine",""],["4BV","N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide","C24 H27 N5 O6 S","O=S(=O)(c1ncn(c1)C)Nc4cc5c(cc4Oc3cc(OCC2CCOC2)ccc3)N(C(=O)N5C)C;Cn1cnc(c1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2Oc4cccc(OC[CH]5CCOC5)c4;Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC5CCOC5)N(C(=O)N3C)C","InChI=1S/C24H27N5O6S/c1-27-12-23(25-15-27)36(31,32)26-19-10-20-21(29(3)24(30)28(20)2)11-22(19)35-18-6-4-5-17(9-18)34-14-16-7-8-33-13-16/h4-6,9-12,15-16,26H,7-8,13-14H2,1-3H3/t16-/m0/s1","","2015-02-25","2015-06-19","N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide","2015-06-24"],["UTH","4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid","C24 H24 N4 O3","O=C(O)c4c(Nc1ccccc1C(C)(C)C)c3c(nc(c2c(onc2C)C)cc3)nc4;Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(cnc3n2)C(O)=O;Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C","InChI=1S/C24H24N4O3/c1-13-20(14(2)31-28-13)19-11-10-15-21(16(23(29)30)12-25-22(15)27-19)26-18-9-7-6-8-17(18)24(3,4)5/h6-12H,1-5H3,(H,29,30)(H,25,26,27)","","2013-06-29","2014-09-05","4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid","2013-09-11"],["UTI","(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol","C30 H33 Br F N3 O5","COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cccc(OC)c2F)c3cc4cc(Br)ccc4nc3OC;CN(C)CCC(c1cc(nc(c1)OC)OC)(C(c2cccc(c2F)OC)c3cc4cc(ccc4nc3OC)Br)O","InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1","TBAJ-587","2023-06-21","2024-04-26","(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol","2024-05-01"],["4BW","2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one","C20 H24 N10 O13 P2","O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(O)OC4C(OC(n2c3ncnc(N)c3nc2)C4O)COP(=O)(OC5C6O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N","InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","3',3' cGAMP; c-GMP-AMP; c[G(3',5')pA(3',5')p]","2015-02-25","2020-05-26","2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one","2015-04-15"],["UTJ","[4-(isoquinolin-8-yl)phenyl]acetonitrile","C17 H12 N2","n2cc3c(c1ccc(cc1)CC#N)cccc3cc2;N#CCc1ccc(cc1)c2cccc3ccncc23;c1cc2ccncc2c(c1)c3ccc(cc3)CC#N","InChI=1S/C17H12N2/c18-10-8-13-4-6-15(7-5-13)16-3-1-2-14-9-11-19-12-17(14)16/h1-7,9,11-12H,8H2","","2020-06-02","2021-01-08","[4-(isoquinolin-8-yl)phenyl]acetonitrile","2021-01-13"],["4BX","3-(1H-benzimidazol-2-yl)propanoic acid","C10 H10 N2 O2","O=C(O)CCc2nc1ccccc1n2;OC(=O)CCc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)CCC(=O)O","InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)","","2009-10-22","2011-06-04","3-(1H-benzimidazol-2-yl)propanoic acid",""],["UTK","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","C19 H11 F4 N3 O3","Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(F)cc2C#N;Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3=O)C(F)(F)F","InChI=1S/C19H11F4N3O3/c1-10-4-2-3-5-14(10)29-15-7-13(12(20)6-11(15)9-24)26-17(27)8-16(19(21,22)23)25-18(26)28/h2-8H,1H3,(H,25,28)","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","2021-03-17","2022-10-28","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","2022-11-02"],["4BY","5-methyl-1H-indole-2-carboxylic acid","C10 H9 N O2","O=C(O)c2cc1cc(ccc1n2)C;Cc1ccc2[nH]c(cc2c1)C(O)=O;Cc1ccc2c(c1)cc([nH]2)C(=O)O","InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)","","2009-10-27","2011-06-04","5-methyl-1H-indole-2-carboxylic acid",""],["4BZ","4-(HYDROXYMETHYL)BENZAMIDINE","C8 H10 N2 O","OCc1ccc(C(=[N@H])N)cc1;NC(=N)c1ccc(CO)cc1;[H]N=C(c1ccc(cc1)CO)N","InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)","","2004-01-26","2011-06-04","4-(hydroxymethyl)benzenecarboximidamide",""],["UTL","(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H36 F N3 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2ccc(cc2)F","InChI=1S/C24H36FN3O8S2/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1","","2022-08-25","2024-09-27","(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-07"],["UTM","8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline","C36 H35 N5 O","N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)ccnc4)c5cnc6c5cncc6)CCN(C)CC7;CN1CCN(CC1)Cc2ccc(c(OCCc3ccc(cc3)c4cccc5ccncc45)c2)c6c[nH]c7ccncc67;CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7","InChI=1S/C36H35N5O/c1-40-16-18-41(19-17-40)25-27-7-10-31(33-24-39-35-12-15-38-23-34(33)35)36(21-27)42-20-13-26-5-8-29(9-6-26)30-4-2-3-28-11-14-37-22-32(28)30/h2-12,14-15,21-24,39H,13,16-20,25H2,1H3","","2020-06-02","2021-01-08","8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline","2021-01-13"],["4C0","3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine","C19 H19 N3 O3","O=C(O)C(NC(=O)CCc1ccccc1)Cc3nc2ccccc2n3;OC(=O)[CH](Cc1[nH]c2ccccc2n1)NC(=O)CCc3ccccc3;c1ccc(cc1)CCC(=O)NC(Cc2[nH]c3ccccc3n2)C(=O)O","InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1","(R)-3-(1H-Benzoimidazol-2-yl)-2-(3-phenyl-propionylamino)-propionic acid","2009-10-22","2021-03-01","3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine",""],["4C1","N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide","C32 H42 N4 O8 S","O=S(=O)(c1cc(OC)c(OC)cc1)Nc3cc4c(cc3Oc2cc(OCCC)cc(OCCCCN(C)C)c2)N(C(=O)N4C)C;CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1;CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C","InChI=1S/C32H42N4O8S/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7/h11-12,16-21,33H,8-10,13-15H2,1-7H3","","2015-02-25","2015-06-19","N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide","2015-06-24"],["UTN","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile","C20 H14 F3 N3 O4","COc1cc(C#N)c(Oc2ccccc2C)cc1N3C(=O)NC(=CC3=O)C(F)(F)F;Cc1ccccc1Oc2cc(c(cc2C#N)OC)N3C(=O)C=C(NC3=O)C(F)(F)F","InChI=1S/C20H14F3N3O4/c1-11-5-3-4-6-14(11)30-15-8-13(16(29-2)7-12(15)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28)","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile","2021-03-17","2022-10-28","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile","2022-11-02"],["UTO","6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide","C13 H12 N8 O","NNC(=O)c1ccc(Cn2nnc(n2)c3ccccn3)nc1;c1ccnc(c1)c2nnn(n2)Cc3ccc(cn3)C(=O)NN","InChI=1S/C13H12N8O/c14-17-13(22)9-4-5-10(16-7-9)8-21-19-12(18-20-21)11-3-1-2-6-15-11/h1-7H,8,14H2,(H,17,22)","","2023-02-13","2023-10-13","6-[(5-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]pyridine-3-carbohydrazide","2023-10-18"],["4C2","N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide","C22 H23 F3 N4 O5 S","C=2(NS(c1c(noc1C)C)(=O)=O)C(C(=O)C=2N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F)=O;Cc1onc(C)c1[S](=O)(=O)NC2=C(N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F)C(=O)C2=O;Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F","InChI=1S/C22H23F3N4O5S/c1-12-21(13(2)34-27-12)35(32,33)28-17-18(20(31)19(17)30)29-9-7-16(8-10-29)26-11-14-3-5-15(6-4-14)22(23,24)25/h3-6,16,26,28H,7-11H2,1-2H3","","2015-02-26","2015-03-06","N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide","2015-03-11"],["UTP","URIDINE 5'-TRIPHOSPHATE","C9 H15 N2 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2002-03-27","2011-06-04","uridine 5'-(tetrahydrogen triphosphate)",""],["4C4","Myxopyronin B","C24 H33 N O6","C=1(C(OC(=CC=1O)C(C)CC[C@H]=[C@H]NC(=O)OC)=O)C(=O)C(C)=[C@H]C=C(/C)CCCC;CCCCC(C)=CC=C(C)C(=O)C1=C(O)C=C(OC1=O)[CH](C)CCC=CNC(=O)OC;CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C","InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h9,12-15,17,26H,6-8,10-11H2,1-5H3,(H,25,29)/b14-9+,16-12+,18-13+/t17-/m1/s1","","2015-02-26","2016-03-18","methyl [(1E,5R)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}hex-1-en-1-yl]carbamate","2015-03-11"],["4C5","(2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid","C23 H23 N O3 S","COc1ccc(cc1)C(SC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3;COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCC(C(=O)O)N","InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1","","2018-04-19","2018-10-05","(2~{R})-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid","2018-10-10"],["UTQ","3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione","C13 H10 Cl F3 N2 O4","COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F;COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl)OC","InChI=1S/C13H10ClF3N2O4/c1-22-8-4-9(23-2)7(3-6(8)14)19-11(20)5-10(13(15,16)17)18-12(19)21/h3-5H,1-2H3,(H,18,21)","3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione","2021-03-17","2022-10-28","3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione","2022-11-02"],["UTR","2-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamoyl]benzoic acid","C31 H31 N11 O10","Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CNC(=O)c7ccccc7C(O)=O)[CH](O)[CH]6O)[CH](O)[CH]3O;c1ccc(c(c1)C(=O)NCC2C(C(C(O2)n3c(nc4c3ncnc4N)C#CCOCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)C(=O)O","InChI=1S/C31H31N11O10/c32-24-18-26(37-10-35-24)41(12-39-18)29-22(45)21(44)16(52-29)9-50-7-3-6-17-40-19-25(33)36-11-38-27(19)42(17)30-23(46)20(43)15(51-30)8-34-28(47)13-4-1-2-5-14(13)31(48)49/h1-2,4-5,10-12,15-16,20-23,29-30,43-46H,7-9H2,(H,34,47)(H,48,49)(H2,32,35,37)(H2,33,36,38)/t15-,16-,20-,21-,22-,23-,29-,30-/m1/s1","","2023-09-07","2025-03-14","2-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamoyl]benzoic acid","2025-03-19"],["4C6","3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide","C22 H25 N3 O5 S","C4(NS(c1c(C)onc1C)(=O)=O)=C(N3CCC(Cc2ccc(cc2)C)CC3)C(=O)C4=O;Cc1ccc(CC2CCN(CC2)C3=C(N[S](=O)(=O)c4c(C)onc4C)C(=O)C3=O)cc1;Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C","InChI=1S/C22H25N3O5S/c1-13-4-6-16(7-5-13)12-17-8-10-25(11-9-17)19-18(20(26)21(19)27)24-31(28,29)22-14(2)23-30-15(22)3/h4-7,17,24H,8-12H2,1-3H3","","2015-02-26","2015-03-06","3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide","2015-03-11"],["UTS","1-benzyl-1H-benzimidazole","C14 H12 N2","c1ccc(cc1)Cn3cnc2ccccc23;C(n1cnc2ccccc12)c3ccccc3;c1ccc(cc1)Cn2cnc3c2cccc3","InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2","","2020-06-02","2021-01-08","1-benzyl-1H-benzimidazole","2021-01-13"],["4C7","(3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate","C15 H34 O7 P2","C(CC(CCCC(C)CCCC(C)C)C)OP(OP(O)(O)=O)(O)=O;CC(C)CCC[CH](C)CCC[CH](C)CCO[P](O)(=O)O[P](O)(O)=O;CC(C)CCCC(C)CCCC(C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C15H34O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h13-15H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18)/t14-,15+/m0/s1","","2015-02-26","2016-07-01","(3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate","2016-07-06"],["4C8","2,4-dibromophenyl 2,4,6-tribromophenyl ether","C12 H5 Br5 O","1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene;Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1;c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br","InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H","","2015-02-26","2016-04-22","2,4-dibromophenyl 2,4,6-tribromophenyl ether","2016-04-27"],["UTT","2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C17 H14 Cl F2 N5 O","CCCC1=CC(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2N1;CCCC1=CC(=O)n2c(c(c(n2)NCc3c(cc(cc3F)Cl)F)C#N)N1","InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24)","2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2021-03-17","2022-10-28","2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2022-11-02"],["UTU","[2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C24 H36 F N3 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)F","InChI=1S/C24H36FN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1","","2022-08-25","2024-09-27","(1R,2S)-2-{[N-({2-[(3-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-07"],["4C9","(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile","C30 H33 N7 O2","N#CC(C(=O)N5CCCC(n2nc(c1c(ncnc12)N)c4ccc(Oc3ccccc3)cc4)C5)CC(C)(C)C;CC(C)(C)C[CH](C#N)C(=O)N1CCC[CH](C1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CC(C)(C)CC(C#N)C(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N","InChI=1S/C30H33N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,19,21-22H,7-8,15-16,18H2,1-3H3,(H2,32,33,34)/t21-,22-/m1/s1","","2015-02-27","2024-09-27","(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile","2015-05-13"],["UTV","1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one","C18 H17 F2 N O2","c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F;CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O;CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C","InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3","","2020-06-02","2021-01-08","1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one","2021-01-13"],["4CA","4-HYDROXYBENZYL COENZYME A","C28 H42 N7 O17 P3 S","O=C(NCCSCc1ccc(O)cc1)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCc4ccc(O)cc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O","InChI=1S/C28H42N7O17P3S/c1-28(2,23(39)26(40)31-8-7-19(37)30-9-10-56-12-16-3-5-17(36)6-4-16)13-49-55(46,47)52-54(44,45)48-11-18-22(51-53(41,42)43)21(38)27(50-18)35-15-34-20-24(29)32-14-33-25(20)35/h3-6,14-15,18,21-23,27,36,38-39H,7-13H2,1-2H3,(H,30,37)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t18-,21-,22-,23+,27-/m1/s1","","2002-05-13","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["4CB","4-CARBOXYPHENYLBORONIC ACID","C7 H7 B O4","O=C(O)c1ccc(B(O)O)cc1;OB(O)c1ccc(cc1)C(O)=O;B(c1ccc(cc1)C(=O)O)(O)O","InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)","","2001-11-20","2024-09-27","4-(dihydroxyboranyl)benzoic acid",""],["UTX","2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide","C21 H29 B12 N6 O5 S","ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21;B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N","InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1","UTX-97","2016-12-08","2021-03-01","","2017-06-28"],["UTY","3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile","C28 H29 N7 O3","N5(CCN(c1ncc(cn1)c3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5C)C(CO)=O;C[CH]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4C(=O)C(C)(C)N(Cc5cccnc5C#N)c4c3;CC1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N","InChI=1S/C28H29N7O3/c1-18-15-33(9-10-34(18)25(37)17-36)27-31-13-21(14-32-27)19-6-7-22-24(11-19)35(28(2,3)26(22)38)16-20-5-4-8-30-23(20)12-29/h4-8,11,13-14,18,36H,9-10,15-17H2,1-3H3/t18-/m1/s1","","2020-06-02","2021-01-08","3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile","2021-01-13"],["4CC","N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine","C25 H25 N7 O3","n2(C)c(CNc1ccc(cc1)/C(N)=N)nc3cc(ccc23)C(N(c4ncccc4)CCC(=O)O)=O;Cn1c(CNc2ccc(cc2)C(N)=N)nc3cc(ccc13)C(=O)N(CCC(O)=O)c4ccccn4;Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O)c4ccccn4","InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)","","2015-02-27","2015-03-06","N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine","2015-03-11"],["UU0","9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate","C24 H32 O6","C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O;CC1CC2C3CCC4=CC(=O)CCC4(C35C(O5)CC2(C1(C(=O)COC(=O)C)O)C)C","InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1","","2023-06-22","2023-07-07","","2023-07-12"],["4CD","4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol","C18 H18 Cl N O3","O=C(c1cc(Cl)c(O)cc1O)N3C(c2c(cccc2)C)CCC3;Cc1ccccc1[CH]2CCCN2C(=O)c3cc(Cl)c(O)cc3O;Cc1ccccc1C2CCCN2C(=O)c3cc(c(cc3O)O)Cl","InChI=1S/C18H18ClNO3/c1-11-5-2-3-6-12(11)15-7-4-8-20(15)18(23)13-9-14(19)17(22)10-16(13)21/h2-3,5-6,9-10,15,21-22H,4,7-8H2,1H3/t15-/m1/s1","","2009-10-22","2011-06-04","(5-chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone",""],["UU1","2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol","C5 H7 Br N2 O","n1cc(cn1CCO)Br;OCCn1cc(Br)cn1;c1c(cn(n1)CCO)Br","InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2","","2020-06-02","2020-06-12","2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol","2020-06-17"],["4CE","(2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide","C30 H28 Cl2 N10 O4","c1c(ccc2NC(C=C(c12)O)=O)c3c(nc(n3)C(NC(C=[C@H]c4cc(ccc4n5cnnn5)Cl)=O)CC(N6CCN(CC6)C)=O)Cl;CN1CCN(CC1)C(=O)C[CH](NC(=O)C=Cc2cc(Cl)ccc2n3cnnn3)c4[nH]c(Cl)c(n4)c5ccc6NC(=O)C=C(O)c6c5;CN1CCN(CC1)C(=O)CC(c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)C=Cc5cc(ccc5n6cnnn6)Cl","InChI=1S/C30H28Cl2N10O4/c1-40-8-10-41(11-9-40)27(46)14-22(35-25(44)7-3-17-12-19(31)4-6-23(17)42-16-33-38-39-42)30-36-28(29(32)37-30)18-2-5-21-20(13-18)24(43)15-26(45)34-21/h2-7,12-13,15-16,22H,8-11,14H2,1H3,(H,35,44)(H,36,37)(H2,34,43,45)/b7-3+/t22-/m0/s1","","2015-02-27","2015-05-22","(2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide","2015-05-27"],["UU2","4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","C25 H16 F3 N3 O3","Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)c4ccccc4)c(F)cc2C#N;Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3=O)C(c4ccccc4)(F)F","InChI=1S/C25H16F3N3O3/c1-15-7-5-6-10-20(15)34-21-12-19(18(26)11-16(21)14-29)31-23(32)13-22(30-24(31)33)25(27,28)17-8-3-2-4-9-17/h2-13H,1H3,(H,30,33)","4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","2021-03-19","2022-10-28","4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","2022-11-02"],["4CF","4-cyano-L-phenylalanine","C10 H10 N2 O2","O=C(O)C(N)Cc1ccc(C#N)cc1;N[CH](Cc1ccc(cc1)C#N)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C#N","InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1","","2010-09-07","2024-09-27","4-cyano-L-phenylalanine",""],["UU3","(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione","C6 H6 O6","O=C1C(=O)OC(C1=O)C(O)CO;OC[CH](O)[CH]1OC(=O)C(=O)C1=O;C(C(C1C(=O)C(=O)C(=O)O1)O)O","InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1","Dehydroascorbic Acid; DHA","2014-10-15","2020-06-17","(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name)","2017-03-22"],["4CG","(1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid","C9 H16 N O6 P","C1(/C(CCC1)C(=O)O)=C/C(COP(O)(O)=O)N;N[CH](CO[P](O)(O)=O)C=C1CCC[CH]1C(O)=O;C1CC(C(=CC(COP(=O)(O)O)N)C1)C(=O)O","InChI=1S/C9H16NO6P/c10-7(5-16-17(13,14)15)4-6-2-1-3-8(6)9(11)12/h4,7-8H,1-3,5,10H2,(H,11,12)(H2,13,14,15)/b6-4-/t7-,8-/m1/s1","","2015-02-27","2024-09-27","(1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid","2015-09-16"],["4CH","4-chlorophenol","C6 H5 Cl O","Clc1ccc(O)cc1;Oc1ccc(Cl)cc1;c1cc(ccc1O)Cl","InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H","","2009-01-13","2011-06-04","4-chlorophenol",""],["UU4","(2S)-2-amino-4-(L-serylamino)butanoic acid","C7 H15 N3 O4","O=C(NCCC(C(=O)O)N)C(N)CO;N[CH](CO)C(=O)NCC[CH](N)C(O)=O;C(CNC(=O)C(CO)N)C(C(=O)O)N","InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1","","2012-11-14","2024-09-27","(2S)-2-amino-4-(L-serylamino)butanoic acid","2013-08-21"],["4CI","N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide","C21 H13 N O5 S","Oc1ccc2c(Oc3cc(O)ccc3[C]24OC(=O)c5cc(NC=S)ccc45)c1;c1cc2c(cc1NC=S)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O","InChI=1S/C21H13NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-10,23-24H,(H,22,28)","","2021-07-27","2024-09-27","~{N}-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide","2022-07-06"],["UU5","(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid","C6 H10 N2 O4","O=C(O)C(N)CCNC(=O)C=O;N[CH](CCNC(=O)C=O)C(O)=O;C(CNC(=O)C=O)C(C(=O)O)N","InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1","","2012-11-12","2024-09-27","(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid","2013-08-21"],["UU6","(1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile","C24 H26 N6 O","CC(C)(O)C1CCN(C1)c1cc(ncn1)n1ncc2ccc(cc21)C1(C#N)CC21CC2;CC(C)(O)[CH]1CCN(C1)c2cc(ncn2)n3ncc4ccc(cc34)[C]5(CC56CC6)C#N;CC(C)(C1CCN(C1)c2cc(ncn2)n3c4cc(ccc4cn3)C5(CC56CC6)C#N)O","InChI=1S/C24H26N6O/c1-22(2,31)18-5-8-29(12-18)20-10-21(27-15-26-20)30-19-9-17(4-3-16(19)11-28-30)24(14-25)13-23(24)6-7-23/h3-4,9-11,15,18,31H,5-8,12-13H2,1-2H3/t18-,24-/m1/s1","","2022-08-26","2023-02-17","(1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile","2023-02-22"],["4CJ","N-{4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide","C17 H14 F N3 O S","CC(=O)Nc1ccc(cc1)c1csc(Nc2cc(F)ccc2)n1;CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(F)c3)n2;CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)F","InChI=1S/C17H14FN3OS/c1-11(22)19-14-7-5-12(6-8-14)16-10-23-17(21-16)20-15-4-2-3-13(18)9-15/h2-10H,1H3,(H,19,22)(H,20,21)","","2021-07-08","2022-04-22","N-{4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide","2022-04-27"],["UU8","4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","C24 H16 F N3 O5 S","Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc2C#N;Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3=O)S(=O)(=O)c4ccccc4","InChI=1S/C24H16FN3O5S/c1-15-7-5-6-10-20(15)33-21-12-19(18(25)11-16(21)14-26)28-23(29)13-22(27-24(28)30)34(31,32)17-8-3-2-4-9-17/h2-13H,1H3,(H,27,30)","4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","2021-03-19","2022-10-28","4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile","2022-11-02"],["4CK","4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid","C14 H13 N3 O3","O=C(Nc1nnc(c1)C2CC2)c3ccc(C(=O)O)cc3;OC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3;c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O","InChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)","","2011-07-05","2013-05-03","4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid","2013-05-08"],["UUA","uridine uronic acid","C9 H10 N2 O7","O[CH]1[CH](O)[CH](O[CH]1N2C=CC(=O)NC2=O)C(O)=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)O)O)O","InChI=1S/C9H10N2O7/c12-3-1-2-11(9(17)10-3)7-5(14)4(13)6(18-7)8(15)16/h1-2,4-7,13-14H,(H,15,16)(H,10,12,17)/t4-,5+,6-,7+/m0/s1","","2017-08-05","2017-08-18","(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid","2017-08-23"],["4CL","4-CHLOROBENZENE-1,2-DIOL","C6 H5 Cl O2","Clc1cc(O)c(O)cc1;Oc1ccc(Cl)cc1O;c1cc(c(cc1Cl)O)O","InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H","","2007-06-18","2011-06-04","4-chlorobenzene-1,2-diol",""],["UUB","(E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide","C30 H33 Cl N6 O2","CN(C)CC=CC(=O)Nc1ccc(O[CH]2CCC[CH](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45)cc1;CN(C)CC=CC(=O)Nc1ccc(cc1)OC2CCCC(C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl","InChI=1S/C30H33ClN6O2/c1-37(2)16-6-11-28(38)34-20-12-14-22(15-13-20)39-23-8-5-7-21(17-23)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-4,6,9-15,18-19,21,23,32H,5,7-8,16-17H2,1-2H3,(H,34,38)(H,33,35,36)/t21-,23-/m1/s1","(~{E})-~{N}-[4-[(1~{R},3~{R})-3-[[5-chloranyl-4-(1~{H}-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide","2021-03-19","2021-05-07","(~{E})-~{N}-[4-[(1~{R},3~{R})-3-[[5-chloranyl-4-(1~{H}-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide","2021-05-12"],["4CM","(4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID","C8 H11 N2 O2 P","O=P(O)(c1ccc(C(=[N@H])N)cc1)C;C[P](O)(=O)c1ccc(cc1)C(N)=N;CP(=O)(c1ccc(cc1)C(=N)N)O","InChI=1S/C8H11N2O2P/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)(H,11,12)","","2005-08-15","2011-06-04","(R)-(4-carbamimidoylphenyl)methylphosphinic acid",""],["4CN","1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one","C13 H12 N2 O S","Cc1scc(n1)c3cc2CC(N(c2cc3)C)=O;CN1C(=O)Cc2cc(ccc12)c3csc(C)n3;Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C","InChI=1S/C13H12N2OS/c1-8-14-11(7-17-8)9-3-4-12-10(5-9)6-13(16)15(12)2/h3-5,7H,6H2,1-2H3","","2015-02-27","2015-06-19","1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one","2015-06-24"],["UUC","(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-[[[1,1-bis(oxidanyl)-1$l^{6}-thia-3-azabicyclo[1.1.0]butan-1-yl]amino]methyl]oxolane-3,4-diol","C25 H32 N12 O9 S","Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CN[S]78(O)(O)CN7C8)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNS78(CN7C8)(O)O)O)O)N)O)O)N","InChI=1S/C25H32N12O9S/c26-20-14-22(30-6-28-20)36(8-32-14)24-18(40)17(39)12(46-24)5-44-3-1-2-13-34-15-21(27)29-7-31-23(15)37(13)25-19(41)16(38)11(45-25)4-33-47(42,43)9-35(47)10-47/h6-8,11-12,16-19,24-25,33,38-43H,3-5,9-10H2,(H2,26,28,30)(H2,27,29,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1","","2023-09-07","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-[[[1,1-bis(oxidanyl)-1$l^{6}-thia-3-azabicyclo[1.1.0]butan-1-yl]amino]methyl]oxolane-3,4-diol","2025-03-19"],["UUD","N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE","C9 H8 N2 O S","O=C(/N=C2Sc1ccccc1N2)C;CC(=O)N=C1Nc2ccccc2S1;CC(=O)N=C1Nc2ccccc2S1","InChI=1S/C9H8N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H,1H3,(H,10,11,12)","","2014-08-05","2015-09-25","N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]acetamide","2015-09-30"],["4CO","4-HYDROXYPHENACYL COENZYME A","C29 H42 N7 O18 P3 S","O=C(c1ccc(O)cc1)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(O)cc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O","InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-20(39)31-9-10-58-12-18(38)16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,19,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,39)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1","","2002-05-09","2012-01-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-{[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["UUE","8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene","C21 H28 B F2 N5","CCn1cc(CCCCC2=C3C(=CC(=[N+]3[B-](F)(F)n4c(C)cc(C)c24)C)C)nn1;[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F","InChI=1S/C21H28BF2N5/c1-6-27-13-18(25-26-27)9-7-8-10-19-20-14(2)11-16(4)28(20)22(23,24)29-17(5)12-15(3)21(19)29/h11-13H,6-10H2,1-5H3","","2021-03-19","2022-03-25","8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene","2022-03-30"],["4CP","2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE","C18 H20 Cl N5 O2 S","Clc2ccc(SCC(=O)NC(C(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2;NC(=N)Nc1ccc(C[CH](NC(=O)CSc2ccc(Cl)cc2)C(N)=O)cc1;[H]N=C(N)Nc1ccc(cc1)CC(C(=O)N)NC(=O)CSc2ccc(cc2)Cl","InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1","","2005-07-04","2011-06-04","4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide",""],["UUF","2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol","C22 H23 N7 O","CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)n1ncc2ccc(cc12)c1ccn[NH]1;CC(C)(O)C12CC(C1)N(C2)c3cc(ncn3)n4ncc5ccc(cc45)c6[nH]ncc6;CC(C)(C12CC(C1)N(C2)c3cc(ncn3)n4c5cc(ccc5cn4)c6ccn[nH]6)O","InChI=1S/C22H23N7O/c1-21(2,30)22-9-16(10-22)28(12-22)19-8-20(24-13-23-19)29-18-7-14(17-5-6-25-27-17)3-4-15(18)11-26-29/h3-8,11,13,16,30H,9-10,12H2,1-2H3,(H,25,27)/t16-,22-","","2022-08-26","2023-02-17","2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol","2023-02-22"],["4CQ","6-O-alpha-D-Glucosyl-beta-cyclodextrin","C48 H80 O40","OC1C(C(O)C(CO)OC1OCC5C6OC2OC(CO)C(C(C2O)O)OC3OC(CO)C(C(C3O)O)OC4OC(CO)C(C(C4O)O)OC9OC(C(OC8OC(C(OC7OC(C(OC(O5)C(C6O)O)C(C7O)O)CO)C(C8O)O)CO)C(C9O)O)CO)O;OC[CH]1O[CH](OC[CH]2O[CH]3O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH]9[CH](O)[CH](O)[CH](O[CH]9CO)O[CH]2[CH](O)[CH]3O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O3)C(C9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O","InChI=1S/C48H80O40/c49-1-9-17(56)18(57)26(65)41(74-9)73-8-16-40-25(64)33(72)48(81-16)87-39-15(7-55)79-46(31(70)23(39)62)85-37-13(5-53)77-44(29(68)21(37)60)83-35-11(3-51)75-42(27(66)19(35)58)82-34-10(2-50)76-43(28(67)20(34)59)84-36-12(4-52)78-45(30(69)22(36)61)86-38-14(6-54)80-47(88-40)32(71)24(38)63/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-/m1/s1","","2015-02-27","2020-07-17","(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)","2015-04-01"],["4CR","(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM","C17 H23 N2 O2","O=C(Oc1cccc2c1CCC2[N+](=CC=C)C)N(CC)C;CCN(C)C(=O)Oc1cccc2[CH](CCc12)[N+](C)=CC=C;CCN(C)C(=O)Oc1cccc2c1CCC2[N+](=CC=C)C","InChI=1S/C17H23N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h5,7-9,12,15H,1,6,10-11H2,2-4H3/q+1/b19-12+/t15-/m1/s1","","2005-11-07","2011-06-04","(1R)-4-{[ethyl(methyl)carbamoyl]oxy}-N-methyl-N-[(1E)-prop-2-en-1-ylidene]-2,3-dihydro-1H-inden-1-aminium",""],["UUG","(4-bromo-2-methoxyphenyl)methanol","C8 H9 Br O2","c1(c(OC)cc(cc1)Br)CO;COc1cc(Br)ccc1CO;COc1cc(ccc1CO)Br","InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3","","2020-06-02","2020-06-12","(4-bromo-2-methoxyphenyl)methanol","2020-06-17"],["4CS","(4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID","C6 H10 N2 O2","O=C(O)C1N=C(NCC1)C;CC1=N[CH](CCN1)C(O)=O;CC1=NC(CCN1)C(=O)O","InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1","ECTOINE","2007-06-15","2021-03-01","(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid",""],["UUH","(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol","C26 H36 B F2 N5 O4","Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O)[CH]5O)nn4;[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC5C(CC(C(C5O)O)O)O)C)C)(F)F","InChI=1S/C26H36BF2N5O4/c1-14-9-16(3)33-23(14)19(24-15(2)10-17(4)34(24)27(33,28)29)8-6-5-7-18-12-32(31-30-18)13-20-21(35)11-22(36)26(38)25(20)37/h9-10,12,20-22,25-26,35-38H,5-8,11,13H2,1-4H3/t20-,21-,22-,25+,26+/m0/s1","","2021-03-19","2024-09-27","(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol","2022-03-30"],["UUI","(1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","C22 H24 Cl2 N4 O2 S","Clc1cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4;C=CC1CN(C(=O)C2CCCC1N2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4","InChI=1S/C22H24Cl2N4O2S/c1-2-15-13-27(14-18-6-3-4-9-26-18)22(29)21-8-5-7-20(15)28(21)31(25,30)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21,25H,1,5,7-8,13-14H2/t15-,20+,21-,31-/m0/s1","","2023-02-14","2023-09-01","(1~{S},5~{S},6~{R})-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one","2023-09-06"],["4CT","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol","C18 H20 Cl N5 O S","Clc4ccc(SCC3CN(Cc2cnc1c2ncnc1N)CC3O)cc4;Nc1ncnc2c(CN3C[CH](O)[CH](CSc4ccc(Cl)cc4)C3)c[nH]c12;c1cc(ccc1SCC2CN(CC2O)Cc3c[nH]c4c3ncnc4N)Cl","InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)/t12-,15+/m1/s1","","2010-07-29","2011-06-04","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol",""],["UUJ","5-bromo-2-hydroxybenzonitrile","C7 H4 Br N O","c1(cc(c(cc1)O)C#N)Br;Oc1ccc(Br)cc1C#N;c1cc(c(cc1Br)C#N)O","InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H","","2020-06-02","2020-06-12","5-bromo-2-hydroxybenzonitrile","2020-06-17"],["4CU","(~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid","C21 H22 O4","CCCOc1ccc(CC=C)cc1c2cc(C=CC(O)=O)ccc2O;CCCOc1ccc(cc1c2cc(ccc2O)C=CC(=O)O)CC=C","InChI=1S/C21H22O4/c1-3-5-15-7-10-20(25-12-4-2)18(14-15)17-13-16(6-9-19(17)22)8-11-21(23)24/h3,6-11,13-14,22H,1,4-5,12H2,2H3,(H,23,24)/b11-8+","","2016-12-05","2017-11-03","(~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid","2017-11-08"],["UUK","tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate","C29 H41 N3 O4","CC(C)C[CH](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2;CC(C)CC(C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C","InChI=1S/C29H41N3O4/c1-22(2)19-25(31-28(35)36-29(3,4)5)27(34)30-18-12-17-26(33)32(20-23-13-8-6-9-14-23)21-24-15-10-7-11-16-24/h6-11,13-16,22,25H,12,17-21H2,1-5H3,(H,30,34)(H,31,35)/t25-/m0/s1","~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; acrylamide inhibitor Gu3110","2021-03-19","2024-09-27","~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2021-09-08"],["4CV","3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide","C17 H19 Br N6 O3 S","c2(N1CCOCC1)ccc(S(NC)(=O)=O)cc2Nc4c3c(Br)cnc3ncn4;CN[S](=O)(=O)c1ccc(N2CCOCC2)c(Nc3ncnc4[nH]cc(Br)c34)c1;CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4","InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)","","2015-02-28","2015-09-18","3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide","2015-09-23"],["4CW","N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide","C12 H12 N6 O2 S","N(c1cccc(c1)S(NC)(=O)=O)c2ncnc3c2ncn3;CN[S](=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1;CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2","InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)","","2015-02-28","2015-09-18","N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide","2015-09-23"],["UUL","4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol","C15 H11 Cl N2 O S","Clc3ccc(c1nc(sc1)Nc2ccc(O)cc2)cc3;Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1;c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl","InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)","","2012-10-17","2013-04-26","4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol","2013-05-01"],["4CX","N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide","C28 H27 F3 N2 O3 S","N(C(Cc1ccc(cc1)S(=O)(=O)CC)=O)c3ccc(c2ccc(CC(C)C)c(c2)C#N)c(c3)C(F)(F)F;CC[S](=O)(=O)c1ccc(CC(=O)Nc2ccc(c3ccc(CC(C)C)c(c3)C#N)c(c2)C(F)(F)F)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C","InChI=1S/C28H27F3N2O3S/c1-4-37(35,36)24-10-5-19(6-11-24)14-27(34)33-23-9-12-25(26(16-23)28(29,30)31)21-8-7-20(13-18(2)3)22(15-21)17-32/h5-12,15-16,18H,4,13-14H2,1-3H3,(H,33,34)","","2015-03-02","2018-02-02","N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide","2018-02-07"],["UUM","5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide","C9 H10 N4 O2","N(c1cn(C)nc1)C(=O)c2noc(C)c2;Cn1cc(NC(=O)c2cc(C)on2)cn1;Cc1cc(no1)C(=O)Nc2cnn(c2)C","InChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)9(14)11-7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,14)","","2020-06-02","2020-06-12","5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide","2020-06-17"],["4CY","nitrilo-L-methionine","C5 H8 N2 O2 S","N#CSCCC(C(=O)O)N;N[CH](CCSC#N)C(O)=O;C(CSC#N)C(C(=O)O)N","InChI=1S/C5H8N2O2S/c6-3-10-2-1-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1","","2010-09-07","2024-09-27","nitrilo-L-methionine",""],["UUN","N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide","C12 H11 N3 O3 S","C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(NO)=O;ONC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2;c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO","InChI=1S/C12H11N3O3S/c16-10-6-9(8-4-2-1-3-5-8)13-12(14-10)19-7-11(17)15-18/h1-6,18H,7H2,(H,15,17)(H,13,14,16)","","2016-03-16","2017-03-24","N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide","2017-03-29"],["UUO","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide","C32 H41 N13 O7","NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(CCCC#C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;C#CCCCN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CNC(=O)CCCN)O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C32H41N13O7/c1-2-3-4-10-43(13-18-24(48)25(49)31(52-18)44-16-41-21-27(34)37-14-39-29(21)44)11-6-7-19-42-22-28(35)38-15-40-30(22)45(19)32-26(50)23(47)17(51-32)12-36-20(46)8-5-9-33/h1,14-18,23-26,31-32,47-50H,3-5,8-13,33H2,(H,36,46)(H2,34,37,39)(H2,35,38,40)/t17-,18+,23-,24-,25-,26-,31+,32+/m1/s1","","2023-09-07","2025-03-14","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide","2025-03-19"],["4CZ","2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide","C30 H30 N2 O4 S2","N(c2sc(c(c1ccccc1)n2)C(c3c(cccc3)CC(C)C)=O)C(Cc4ccc(cc4)S(CC)(=O)=O)=O;CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3CC(C)C)c(n2)c4ccccc4)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4","InChI=1S/C30H30N2O4S2/c1-4-38(35,36)24-16-14-21(15-17-24)19-26(33)31-30-32-27(22-10-6-5-7-11-22)29(37-30)28(34)25-13-9-8-12-23(25)18-20(2)3/h5-17,20H,4,18-19H2,1-3H3,(H,31,32,33)","","2015-03-02","2018-03-29","2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide","2018-04-04"],["UUP","N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide","C10 H10 N4 O","n1n3cccnc3c(c1)C(NC2CC2)=O;O=C(NC1CC1)c2cnn3cccnc23;c1cnc2c(cnn2c1)C(=O)NC3CC3","InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)","","2020-06-02","2020-06-12","N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide","2020-06-17"],["4D0","N-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-D-glucopyranosylamine","C22 H26 N2 O7","c1c(ccc(c1)CCC(=O)NC(=O)NC2OC(CO)C(O)C(C2O)O)c3ccccc3;OC[CH]1O[CH](NC(=O)NC(=O)CCc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C22H26N2O7/c25-12-16-18(27)19(28)20(29)21(31-16)24-22(30)23-17(26)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18-21,25,27-29H,8,11-12H2,(H2,23,24,26,30)/t16-,18-,19+,20-,21-/m1/s1","","2015-03-02","2015-11-13","N-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-D-glucopyranosylamine","2015-11-18"],["UUQ","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile","C23 H14 F3 N3 O3","Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N;Cc1ccccc1Oc2cc(c3ccccc3c2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F","InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31)","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile","2021-03-21","2022-10-28","4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile","2022-11-02"],["4D1","N-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-D-glucopyranosylamine","C19 H26 N2 O7","c2c(C=CC(=O)NC(NC1OC(CO)C(O)C(C1O)O)=O)ccc(C(C)C)c2;CC(C)c1ccc(C=CC(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;CC(C)c1ccc(cc1)C=CC(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C19H26N2O7/c1-10(2)12-6-3-11(4-7-12)5-8-14(23)20-19(27)21-18-17(26)16(25)15(24)13(9-22)28-18/h3-8,10,13,15-18,22,24-26H,9H2,1-2H3,(H2,20,21,23,27)/b8-5+/t13-,15-,16+,17-,18-/m1/s1","","2015-03-02","2015-11-13","N-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-D-glucopyranosylamine","2015-11-18"],["4D2","5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid","C21 H24 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3cccnc3;CC(C)C[CH](CNC(=O)c1cccnc1)Cc2ccc3OCOc3c2C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3","InChI=1S/C21H24N2O5/c1-13(2)8-14(10-23-20(24)16-4-3-7-22-11-16)9-15-5-6-17-19(28-12-27-17)18(15)21(25)26/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1","","2013-12-22","2014-09-05","5-[(2S)-4-methyl-2-{[(pyridin-3-ylcarbonyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-08"],["UUR","2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C22 H33 N3 O8 S2","CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCCSc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCSc2ccccc2","InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21-/m0/s1","","2022-08-26","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","2022-09-07"],["UUS","4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one","C7 H8 Br N O2","C=1C(Br)=CC(N(C=1)CCO)=O;OCCN1C=CC(=CC1=O)Br;C1=CN(C(=O)C=C1Br)CCO","InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2","","2020-06-02","2020-06-12","4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one","2020-06-17"],["4D3","methyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate","C11 H8 F N O2","COC(=O)[C@H]=C(C#N)c1ccc(cc1)F;COC(=O)C=C(C#N)c1ccc(F)cc1;COC(=O)C=C(C#N)c1ccc(cc1)F","InChI=1S/C11H8FNO2/c1-15-11(14)6-9(7-13)8-2-4-10(12)5-3-8/h2-6H,1H3/b9-6+","","2015-03-02","2016-01-15","methyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate","2016-01-20"],["UUT","(2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol","C9 H20 O4","C[CH](O)CO[CH](C)CO[CH](C)CO;CC(CO)OCC(C)OCC(C)O","InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m0/s1","(2~{S})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol","2021-03-23","2021-07-09","(2~{S})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol","2021-07-14"],["4D4","(2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid","C6 H14 N4 O3","C(O)(=O)C(C(CCN/C(N)=N)O)N;N[CH]([CH](O)CCNC(N)=N)C(O)=O;C(CNC(=N)N)C(C(C(=O)O)N)O","InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4+/m1/s1","","2015-03-02","2024-09-27","(2S,3R)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name)","2015-03-18"],["UUU","(1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C7 H15 N O5","C1(C(C(C(C(C1CO)N)O)O)O)O;N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;C(C1C(C(C(C(C1O)O)O)O)N)O","InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4-,5-,6-,7-/m0/s1","","2016-04-13","2024-09-27","(1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2017-05-10"],["4D5","methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate","C28 H27 Cl2 N9 O5","c1(ccc(cc1)c2c(nc(n2)C(NC(=O)[C@H]=[C@H]c3cc(ccc3n4cnnn4)Cl)CC(=O)N5CCOCC5)Cl)NC(OC)=O;COC(=O)Nc1ccc(cc1)c2[nH]c(nc2Cl)[CH](CC(=O)N3CCOCC3)NC(=O)C=Cc4cc(Cl)ccc4n5cnnn5;COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)C(CC(=O)N3CCOCC3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)Cl","InChI=1S/C28H27Cl2N9O5/c1-43-28(42)32-20-6-2-17(3-7-20)25-26(30)35-27(34-25)21(15-24(41)38-10-12-44-13-11-38)33-23(40)9-4-18-14-19(29)5-8-22(18)39-16-31-36-37-39/h2-9,14,16,21H,10-13,15H2,1H3,(H,32,42)(H,33,40)(H,34,35)/b9-4+/t21-/m0/s1","","2015-03-03","2015-05-22","methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate","2015-05-27"],["4D6","Vaborbactam","C12 H16 B N O5 S","c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2;OB1O[CH](CC[CH]1NC(=O)Cc2sccc2)CC(O)=O;B1(C(CCC(O1)CC(=O)O)NC(=O)Cc2cccs2)O","InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1","{(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid;  2-((3R,6S)-2-hydroxy-3-(2-(thiophen-2-yl)acetamido)-1,2-oxaborinan-6-yl)acetic acid; 2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid; 1,2-Oxaborinane-6-acetic acid, 2-hydroxy-3-((2-(2-thienyl)acetyl)amino)-, (3R,6S)-","2015-03-03","2024-09-27","{(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid","2015-04-01"],["UUV","4-bromo-1-(2-methoxyethyl)-1H-pyrazole","C6 H9 Br N2 O","n1n(cc(c1)Br)CCOC;COCCn1cc(Br)cn1;COCCn1cc(cn1)Br","InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3","","2020-06-02","2020-06-12","4-bromo-1-(2-methoxyethyl)-1H-pyrazole","2020-06-17"],["4D7","3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine","C16 H15 N3 O4","O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C;Cc1occc1C(=O)N[CH](Cc2[nH]c3ccccc3n2)C(O)=O;Cc1c(cco1)C(=O)NC(Cc2[nH]c3ccccc3n2)C(=O)O","InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1","(R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid","2009-10-22","2020-06-17","3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine",""],["UUW","N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide","C31 H46 N4 O3","CC(C)C[CH](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2;CC(C)CC(C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C","InChI=1S/C31H46N4O3/c1-25(2)22-28(33-29(36)18-11-12-21-34(3)4)31(38)32-20-13-19-30(37)35(23-26-14-7-5-8-15-26)24-27-16-9-6-10-17-27/h5-10,14-17,25,28H,11-13,18-24H2,1-4H3,(H,32,38)(H,33,36)/t28-/m0/s1","(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide; activity-based probe Gu3416; (2S)-N-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide","2021-03-21","2024-09-27","(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide","2021-09-08"],["4D8","(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid","C29 H46 O3","O=C(O)C1(C2CCC3=C(C2(CCC1O)C)CCC4(C)C(C(C)CCC=C(/C)C)CCC34)C;C[CH](CCC=C(C)C)[CH]1CC[CH]2C3=C(CC[C]12C)[C]4(C)CC[CH](O)[C](C)([CH]4CC3)C(O)=O;CC(CCC=C(C)C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4(C)C(=O)O)O)C)C","InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1","4alpha-carboxy-4beta-methyl-zymosterol","2015-01-29","2021-03-01","(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid","2015-02-11"],["UUX","(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine","C24 H25 N5","CC(C)(C)c1nc(Cc2ccccc2)c(C)c(c1c1nnn[NH]1)c1ccccc1;Cc1c(Cc2ccccc2)nc(c(c3[nH]nnn3)c1c4ccccc4)C(C)(C)C;Cc1c(nc(c(c1c2ccccc2)c3[nH]nnn3)C(C)(C)C)Cc4ccccc4","InChI=1S/C24H25N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3,(H,26,27,28,29)","","2023-05-09","2025-07-25","(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine","2023-06-14"],["UUY","2-[methyl(pyridin-2-yl)amino]ethan-1-ol","C8 H12 N2 O","n1ccccc1N(C)CCO;CN(CCO)c1ccccn1;CN(CCO)c1ccccn1","InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3","","2020-06-02","2020-06-12","2-[methyl(pyridin-2-yl)amino]ethan-1-ol","2020-06-17"],["4D9","3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine","C19 H15 N3 O3 S","O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4;OC(=O)[CH](Cc1[nH]c2ccccc2n1)NC(=O)c3sc4ccccc4c3;c1ccc2c(c1)cc(s2)C(=O)NC(Cc3[nH]c4ccccc4n3)C(=O)O","InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1","(R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid","2009-10-22","2020-06-17","3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine",""],["UUZ","3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione","C22 H14 Cl F3 N2 O3","Cc1ccccc1Oc2cc(N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccc4c2Cl;Cc1ccccc1Oc2cc(c3ccccc3c2Cl)N4C(=O)CC(=NC4=O)C(F)(F)F","InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-10H,11H2,1H3","","2021-03-22","2022-10-28","3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione","2022-11-02"],["4DB","(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid","C14 H17 N3 O4","O=C(O)C(N)CCN2C(=O)c1ccc(cc1C2=O)N(C)C;CN(C)c1ccc2C(=O)N(CC[CH](N)C(O)=O)C(=O)c2c1;CN(C)c1ccc2c(c1)C(=O)N(C2=O)CCC(C(=O)O)N","InChI=1S/C14H17N3O4/c1-16(2)8-3-4-9-10(7-8)13(19)17(12(9)18)6-5-11(15)14(20)21/h3-4,7,11H,5-6,15H2,1-2H3,(H,20,21)/t11-/m0/s1","","2009-09-23","2024-09-27","(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid",""],["4DC","(2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide","C18 H22 N2 O3 S2","O=C(Nc1nccs1)C(c2ccc(cc2)S(=O)(=O)C)CC3CCCC3;C[S](=O)(=O)c1ccc(cc1)[CH](CC2CCCC2)C(=O)Nc3sccn3;CS(=O)(=O)c1ccc(cc1)C(CC2CCCC2)C(=O)Nc3nccs3","InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1","","2012-01-23","2012-02-03","(2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide",""],["UV0","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-naphthalen-1-yl-urea","C35 H37 N13 O7","CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)Nc4cccc5ccccc45)[CH](O)[CH]3O)C[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78;CN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CNC(=O)Nc4cccc5c4cccc5)O)O)N)CC6C(C(C(O6)n7cnc8c7ncnc8N)O)O","InChI=1S/C35H37N13O7/c1-46(13-21-26(50)27(51)33(55-21)47-16-43-23-29(36)39-14-41-31(23)47)11-5-10-22-45-24-30(37)40-15-42-32(24)48(22)34-28(52)25(49)20(54-34)12-38-35(53)44-19-9-4-7-17-6-2-3-8-18(17)19/h2-4,6-9,14-16,20-21,25-28,33-34,49-52H,11-13H2,1H3,(H2,36,39,41)(H2,37,40,42)(H2,38,44,53)/t20-,21-,25-,26-,27-,28-,33-,34-/m1/s1","","2023-09-07","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-naphthalen-1-yl-urea","2025-03-19"],["4DD","(2R)-4-phenylbutan-2-amine","C10 H15 N","C(CCc1ccccc1)(N)C;C[CH](N)CCc1ccccc1;CC(CCc1ccccc1)N","InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1","","2015-03-04","2016-04-01","(2R)-4-phenylbutan-2-amine","2016-04-06"],["UV1","6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one","C11 H13 N O2","c2c1NC(CCCc1c(OC)cc2)=O;COc1cccc2NC(=O)CCCc12;COc1cccc2c1CCCC(=O)N2","InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)","","2020-06-02","2020-06-12","6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one","2020-06-17"],["UV2","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","C22 H33 N3 O8 S2","CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCCSc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCSc2ccccc2","InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21+/m0/s1","","2022-08-26","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid","2022-09-07"],["4DE","1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","C15 H18 N2 O3","O=C(OCC)c2c(nn(c1ccc(OC)cc1)c2C)C;CCOC(=O)c1c(C)nn(c1C)c2ccc(OC)cc2;CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C","InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3","","2004-11-23","2011-06-04","ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate",""],["4DF","5-chloro-N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine","C20 H18 Cl N7 O2 S","CCN(c3nc(Nc2ccc1CNS(=O)(c1c2)=O)ncc3Cl)c4cccc5c4cnn5;CCN(c1cccc2[nH]ncc12)c3nc(Nc4ccc5CN[S](=O)(=O)c5c4)ncc3Cl;CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl","InChI=1S/C20H18ClN7O2S/c1-2-28(17-5-3-4-16-14(17)10-23-27-16)19-15(21)11-22-20(26-19)25-13-7-6-12-9-24-31(29,30)18(12)8-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,27)(H,22,25,26)","","2015-03-04","2015-09-25","5-chloro-N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine","2015-09-30"],["UV3","7-bromo-L-tryptophan","C11 H11 Br N2 O2","N[CH](Cc1c[nH]c2c(Br)cccc12)C(O)=O;c1cc2c(c[nH]c2c(c1)Br)CC(C(=O)O)N","InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1","","2023-02-14","2023-06-09","(2~{S})-2-azanyl-3-(7-bromanyl-1~{H}-indol-3-yl)propanoic acid","2023-06-14"],["4DG","2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate","C8 H12 N5 O6 P","NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)","acyclic guanosine monophosphate; acyclovir monophosphate","2009-11-09","2020-12-12","2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate",""],["UV4","3-(benzoylamino)-N-oxobenzamide","C14 H10 N2 O3","c1ccc(C(=O)N=O)cc1NC(=O)c2ccccc2;O=NC(=O)c1cccc(NC(=O)c2ccccc2)c1;c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O","InChI=1S/C14H10N2O3/c17-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(18)16-19/h1-9H,(H,15,17)","","2016-01-26","2016-03-04","3-(benzoylamino)-N-oxobenzamide","2016-03-09"],["4DH","3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine","C21 H19 N5 O3","O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4;Cn1nc(cc1C(=O)N[CH](Cc2[nH]c3ccccc3n2)C(O)=O)c4ccccc4;Cn1c(cc(n1)c2ccccc2)C(=O)NC(Cc3[nH]c4ccccc4n3)C(=O)O","InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1","(R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid","2009-10-23","2020-06-17","3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine",""],["UV5","3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide","C19 H13 F3 N6 O3","CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F;CNC(=O)c1ccn2c(c1)nc(c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4","InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30)","","2021-03-22","2022-10-28","3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide","2022-11-02"],["4DI","4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE","C7 H17 N3 S","[N@H]=C(SCCCCN(C)C)N;CN(C)CCCCSC(N)=N;[H]N=C(N)SCCCCN(C)C","InChI=1S/C7H17N3S/c1-10(2)5-3-4-6-11-7(8)9/h3-6H2,1-2H3,(H3,8,9)","SKF-91488; 4-(-DIMETHYLAMINO)BUTYL ESTER 4(-N,N-DIMETHYLAMINO)BUTYLISOTHIOUREA","2005-09-01","2020-05-26","4-(dimethylamino)butyl imidothiocarbamate",""],["UV6","~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide","C18 H25 N O8","C[CH]1C[CH](O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12;CC1CC(Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O","InChI=1S/C18H25NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,8,13-18,20,22-24H,5,7H2,1-2H3,(H,19,21)/t8-,13-,14-,15-,16-,17-,18-/m1/s1","","2023-06-22","2024-05-17","~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide","2024-05-22"],["4DJ","3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol","C22 H22 N8 O","Cn1c2c(cn1)cc(cc2)Nc3nccc(n3)N(CCCO)c4c5c(ccc4)nnc5;Cn1ncc2cc(Nc3nccc(n3)N(CCCO)c4cccc5[nH]ncc45)ccc12;Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5","InChI=1S/C22H22N8O/c1-29-19-7-6-16(12-15(19)13-25-29)26-22-23-9-8-21(27-22)30(10-3-11-31)20-5-2-4-18-17(20)14-24-28-18/h2,4-9,12-14,31H,3,10-11H2,1H3,(H,24,28)(H,23,26,27)","","2015-03-04","2015-09-25","3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol","2015-09-30"],["UV7","N-[(1H-pyrazol-4-yl)methyl]acetamide","C6 H9 N3 O","n1cc(cn1)CNC(C)=O;CC(=O)NCc1c[nH]nc1;CC(=O)NCc1c[nH]nc1","InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)","","2020-06-02","2020-06-12","N-[(1H-pyrazol-4-yl)methyl]acetamide","2020-06-17"],["UV8","3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid","C24 H27 Br O2","O=C(O)c1ccc(c(Br)c1)C=C(c2ccc3c(c2)C(CCC3(C)C)(C)C)C;CC(=Cc1ccc(cc1Br)C(O)=O)c2ccc3c(c2)C(C)(C)CCC3(C)C;CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C","InChI=1S/C24H27BrO2/c1-15(12-17-6-7-18(22(26)27)14-21(17)25)16-8-9-19-20(13-16)24(4,5)11-10-23(19,2)3/h6-9,12-14H,10-11H2,1-5H3,(H,26,27)","","2014-09-28","2017-02-10","3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid","2017-02-15"],["4DK","3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol","C24 H23 N7 O2","Cc1c(ocn1)c2cc(ccc2)Nc3nccc(n3)N(CCCO)c4c5c(ccc4)nnc5;Cc1ncoc1c2cccc(Nc3nccc(n3)N(CCCO)c4cccc5[nH]ncc45)c2;Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5","InChI=1S/C24H23N7O2/c1-16-23(33-15-26-16)17-5-2-6-18(13-17)28-24-25-10-9-22(29-24)31(11-4-12-32)21-8-3-7-20-19(21)14-27-30-20/h2-3,5-10,13-15,32H,4,11-12H2,1H3,(H,27,30)(H,25,28,29)","","2015-03-04","2015-09-25","3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol","2015-09-30"],["4DL","2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol","C20 H19 N7 O3 S","OCCN(c1nc(ncc1)Nc2cc3c(cc2)CNS3(=O)=O)c4cccc5nncc45;OCCN(c1ccnc(Nc2ccc3CN[S](=O)(=O)c3c2)n1)c4cccc5[nH]ncc45;c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5","InChI=1S/C20H19N7O3S/c28-9-8-27(17-3-1-2-16-15(17)12-22-26-16)19-6-7-21-20(25-19)24-14-5-4-13-11-23-31(29,30)18(13)10-14/h1-7,10,12,23,28H,8-9,11H2,(H,22,26)(H,21,24,25)","","2015-03-04","2015-09-25","2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol","2015-09-30"],["UV9","1-amino-4,4-dimethylcyclohexane-1-carboxamide","C9 H18 N2 O","O=C(N)C1(N)CCC(C)(C)CC1;CC1(C)CCC(N)(CC1)C(N)=O;CC1(CCC(CC1)(C(=O)N)N)C","InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12)","","2022-08-26","2022-10-28","1-amino-4,4-dimethylcyclohexane-1-carboxamide","2022-11-02"],["UVA","N-methyl-2-(methylsulfonyl)aniline","C8 H11 N O2 S","c1cc(S(C)(=O)=O)c(NC)cc1;CNc1ccccc1[S](C)(=O)=O;CNc1ccccc1S(=O)(=O)C","InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3","","2020-06-02","2020-06-12","N-methyl-2-(methylsulfonyl)aniline","2020-06-17"],["4DM","(4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide","C20 H17 N O7","O=C(N)C3=C(O)CC4Cc2c(c1cccc(O)c1c(O)c2C(=O)C4(O)C3=O)C;Cc1c2C[CH]3CC(=C(C(N)=O)C(=O)[C]3(O)C(=O)c2c(O)c4c(O)cccc14)O;Cc1c2cccc(c2c(c3c1CC4CC(=C(C(=O)C4(C3=O)O)C(=O)N)O)O)O","InChI=1S/C20H17NO7/c1-7-9-3-2-4-11(22)13(9)16(24)14-10(7)5-8-6-12(23)15(19(21)27)18(26)20(8,28)17(14)25/h2-4,8,22-24,28H,5-6H2,1H3,(H2,21,27)/t8-,20-/m0/s1","","2009-01-06","2011-06-04","(4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide",""],["4DN","3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol","C21 H21 N7 O3 S","O=S1(=O)NCc2c1cc(cc2)Nc3nc(ccn3)N(CCCO)c4cccc5nncc45;OCCCN(c1ccnc(Nc2ccc3CN[S](=O)(=O)c3c2)n1)c4cccc5[nH]ncc45;c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5","InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)","","2015-03-04","2015-09-25","3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol","2015-09-30"],["UVB","4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde","C12 H15 N O4 S","O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2;c1cc(ccc1C=O)S(=O)(=O)N2CCCC(C2)O","InChI=1S/C12H15NO4S/c14-9-10-3-5-12(6-4-10)18(16,17)13-7-1-2-11(15)8-13/h3-6,9,11,15H,1-2,7-8H2/t11-/m0/s1","","2021-03-23","2024-09-27","4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde","2021-06-09"],["4DO","N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine","C19 H16 F N7 O2 S","O=S1(=O)NCc2c1cc(cc2)Nc3ncc(F)c(n3)N(C)c4cccc5c4cnn5;CN(c1cccc2[nH]ncc12)c3nc(Nc4ccc5CN[S](=O)(=O)c5c4)ncc3F;CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F","InChI=1S/C19H16FN7O2S/c1-27(16-4-2-3-15-13(16)9-22-26-15)18-14(20)10-21-19(25-18)24-12-6-5-11-8-23-30(28,29)17(11)7-12/h2-7,9-10,23H,8H2,1H3,(H,22,26)(H,21,24,25)","","2015-03-04","2015-09-25","N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine","2015-09-30"],["UVC","URIDINE-2',3'-VANADATE","C9 H12 N2 O9 V","O=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O;OC[CH]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(O3)(O)O","InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6-,7-,8-;;;;/m1..../s1","","1999-07-08","2011-06-04","dihydroxy(oxo)[uridinato(2-)-kappa~2~O~2'~,O~3'~]vanadium",""],["4DP","3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-ALANINE","C13 H15 N3 O4","O=C(O)C(N)CN2C(=O)c1ccc(cc1C2=O)N(C)C;CN(C)c1ccc2C(=O)N(C[CH](N)C(O)=O)C(=O)c2c1;CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC(C(=O)O)N","InChI=1S/C13H15N3O4/c1-15(2)7-3-4-8-9(5-7)12(18)16(11(8)17)6-10(14)13(19)20/h3-5,10H,6,14H2,1-2H3,(H,19,20)/t10-/m0/s1","4-(N,N-DIMETHYLAMINO)PHTHALIMIDOALANYL; DAPA","2006-10-25","2024-09-27","3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine",""],["UVD","methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate","C14 H14 N2 O2","n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2;COC(=O)Nc1ccc(Cc2ccncc2)cc1;COC(=O)Nc1ccc(cc1)Cc2ccncc2","InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)","","2020-06-02","2020-06-12","methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate","2020-06-17"],["UVE","4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde","C15 H13 N O4 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23;c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O","InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2","","2021-03-23","2024-09-27","4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde","2021-06-09"],["4DQ","N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine","C20 H18 F N7 O2 S","Fc3c(N(c2c1cnnc1ccc2)CC)nc(nc3)Nc5cc4S(=O)(=O)NCc4cc5;CCN(c1cccc2[nH]ncc12)c3nc(Nc4ccc5CN[S](=O)(=O)c5c4)ncc3F;CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F","InChI=1S/C20H18FN7O2S/c1-2-28(17-5-3-4-16-14(17)10-23-27-16)19-15(21)11-22-20(26-19)25-13-7-6-12-9-24-31(29,30)18(12)8-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,27)(H,22,25,26)","","2015-03-04","2015-09-25","N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine","2015-09-30"],["4DS","4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid","C16 H10 N2 O6 S4","O=S(=O)(O)c1cc(N=C=S)ccc1C=Cc2ccc(N=C=S)cc2S(=O)(=O)O;O[S](=O)(=O)c1cc(ccc1C=Cc2ccc(cc2[S](O)(=O)=O)N=C=S)N=C=S;c1cc(c(cc1N=C=S)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)N=C=S","InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+","","2014-01-16","2024-09-27","5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid","2014-03-05"],["UVF","3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione","C22 H24 N6 O2","CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4cn5CCCCc5n4)nc12;CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccccc5)C(=O)NC1=O","InChI=1S/C22H24N6O2/c1-2-27-20-19(21(29)25-22(27)30)28(13-15-8-4-3-5-9-15)18(24-20)12-16-14-26-11-7-6-10-17(26)23-16/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,25,29,30)","","2023-02-14","2024-01-05","3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione","2024-01-10"],["4DT","3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol","C23 H25 F N8 O","Fc3cnc(NC1=CCC=2C(=C1)N(NC=2)CCCO)nc3N(c5c4cnnc4ccc5)CC;CCN(c1cccc2[nH]ncc12)c3nc(NC4=CCC5=CNN(CCCO)C5=C4)ncc3F;CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F","InChI=1S/C23H25FN8O/c1-2-31(20-6-3-5-19-17(20)13-26-30-19)22-18(24)14-25-23(29-22)28-16-8-7-15-12-27-32(9-4-10-33)21(15)11-16/h3,5-6,8,11-14,27,33H,2,4,7,9-10H2,1H3,(H,26,30)(H,25,28,29)","","2015-03-04","2015-10-09","3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol","2015-10-14"],["UVG","N,N-dimethyl-1H-pyrazole-4-carboxamide","C6 H9 N3 O","n1ncc(c1)C(N(C)C)=O;CN(C)C(=O)c1c[nH]nc1;CN(C)C(=O)c1c[nH]nc1","InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)","","2020-06-02","2020-06-12","N,N-dimethyl-1H-pyrazole-4-carboxamide","2020-06-17"],["4DU","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine","C11 H15 N4 O6 P","O=P(O)(O)OCC1OC(CC1O)n1cnc2c1ccnc2N;Nc1nccc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1cnc(c2c1n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C11H15N4O6P/c12-11-10-6(1-2-13-11)15(5-14-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13)(H2,17,18,19)/t7-,8+,9+/m0/s1","","2012-03-28","2025-07-21","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine",""],["UVH","4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde","C14 H20 N2 O3 S","CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2;CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3","","2021-03-23","2024-09-27","4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde","2021-06-09"],["UVI","~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]ethanamide","C28 H36 N12 O8","CC(=O)NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CC(=O)NCCCN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C28H36N12O8/c1-13(42)31-5-3-7-38(8-14-19(43)21(45)27(47-14)39-12-36-17-23(29)32-10-34-25(17)39)6-2-4-16-37-18-24(30)33-11-35-26(18)40(16)28-22(46)20(44)15(9-41)48-28/h10-12,14-15,19-22,27-28,41,43-46H,3,5-9H2,1H3,(H,31,42)(H2,29,32,34)(H2,30,33,35)/t14-,15-,19-,20-,21-,22-,27-,28-/m1/s1","","2023-09-07","2025-03-14","~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]ethanamide","2025-03-19"],["4DV","3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid","C34 H31 Cl F N O2","O=C(O)C(Cc5n(Cc1ccc(Cl)cc1)c2c(cc(cc2)c3ccc(c(c3)F)c4ccccc4C)c5C)(C)C;Cc1ccccc1c2ccc(cc2F)c3ccc4n(Cc5ccc(Cl)cc5)c(CC(C)(C)C(O)=O)c(C)c4c3;Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C","InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)","","2015-03-04","2015-07-10","3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid","2015-07-15"],["4DW","N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid","C20 H19 N5 O6","c1(ccc(cc1)C(=O)NC(C(O)=O)[C@H]=[C@H]C(=O)O)CCc2c3c(nc2)NC(=NC3=O)N;NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[CH](C=CC(O)=O)C(O)=O)c[nH]c2N1;c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(C=CC(=O)O)C(=O)O","InChI=1S/C20H19N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,7-9,13H,3,6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/b8-7+/t13-/m0/s1","pemetrexed","2015-03-05","2021-03-01","(2E,4S)-4-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pent-2-enedioic acid","2015-12-16"],["UVJ","3-(2-methyl-1H-benzimidazol-1-yl)propanamide","C11 H13 N3 O","n2(c1ccccc1nc2C)CCC(N)=O;Cc1nc2ccccc2n1CCC(N)=O;Cc1nc2ccccc2n1CCC(=O)N","InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)","","2020-06-02","2020-06-12","3-(2-methyl-1H-benzimidazol-1-yl)propanamide","2020-06-17"],["4DX","(1S,2S)-2-methylcyclohexanol","C7 H14 O","OC1CCCCC1C;C[CH]1CCCC[CH]1O;CC1CCCCC1O","InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1","trans-2-methylcyclohexanol","2009-10-27","2020-06-17","(1S,2S)-2-methylcyclohexanol",""],["UVK","4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde","C15 H12 F N O4 S","Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3;c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F","InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2","","2021-03-23","2024-09-27","4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde","2021-06-09"],["4DY","(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide","C18 H27 N O3","c1(CNC(CCCC[C@H]=CC(C)C)=O)cc(OC)c(cc1)O;COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O;CC(C)C=CCCCCC(=O)NCc1ccc(c(c1)OC)O","InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+","Capsaicin; 8-Methyl-N-vanillyl-trans-6-nonenamide; NGX-4010","2015-04-30","2020-05-26","(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide","2016-07-06"],["UVM","ethyl morpholine-4-carboxylate","C7 H13 N O3","C1OCCN(C(OCC)=O)C1;CCOC(=O)N1CCOCC1;CCOC(=O)N1CCOCC1","InChI=1S/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3","","2020-06-02","2020-06-12","ethyl morpholine-4-carboxylate","2020-06-17"],["UVN","4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde","C11 H12 N2 O4 S","O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2;c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2","InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)","","2021-03-23","2024-09-27","4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde","2021-06-09"],["4DZ","2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile","C23 H11 Cl N4","c5ccc(C#N)c(c4nc3c1c(cc(Cl)cc1)c2ccccc2c3n4)c5C#N;Clc1ccc2c3[nH]c(nc3c4ccccc4c2c1)c5c(cccc5C#N)C#N;c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl","InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)","","2015-03-05","2015-06-05","2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile","2015-06-10"],["4E0","1-[butyl(fluoranyl)phosphoryl]oxyhexadecane","C20 H42 F O2 P","CCCCCCCCCCCCCCCCO[P](F)(=O)CCCC;CCCCCCCCCCCCCCCCOP(=O)(CCCC)F","InChI=1S/C20H42FO2P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(21,22)20-6-4-2/h3-20H2,1-2H3/t24-/m0/s1","","2021-07-01","2024-09-27","1-[butyl(fluoranyl)phosphoryl]oxyhexadecane","2021-09-15"],["UVO","5-methoxy-2-nitrosophenol","C7 H7 N O3","O=Nc1ccc(cc1O)OC;COc1ccc(N=O)c(O)c1;COc1ccc(c(c1)O)N=O","InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3","","2022-08-26","2022-10-28","5-methoxy-2-nitrosophenol","2022-11-02"],["UVP","1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium","C11 H16 N2 O8 P","O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O;CO[CH]1[CH](O)[CH](O[CH]1[n+]2ccc(O)nc2O)C=C[P](O)(O)=O;COC1C(C(OC1[n+]2ccc(nc2O)O)C=CP(=O)(O)O)O","InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1","uridine vinyl phosphonate","2016-11-15","2021-03-01","1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium","2016-12-14"],["4E1","10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid","C16 H9 I N2 O2","c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I;OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13;c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O","InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)","","2015-03-05","2015-03-20","10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid","2015-03-25"],["4E2","10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid","C16 H8 Cl I N2 O2","O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Cl;OC(=O)c1nc2ccc(I)cc2c3[nH]c4c(Cl)cccc4c13;c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl","InChI=1S/C16H8ClIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)","","2015-03-05","2015-03-20","10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid","2015-03-25"],["UVQ","4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde","C16 H14 F N O3 S","Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3;c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F","InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2","","2021-03-23","2024-09-27","4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde","2021-06-09"],["UVS","5-(methoxymethyl)-1,3,4-thiadiazol-2-amine","C4 H7 N3 O S","n1nc(COC)sc1N;COCc1sc(N)nn1;COCc1nnc(s1)N","InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)","","2020-06-02","2020-06-12","5-(methoxymethyl)-1,3,4-thiadiazol-2-amine","2020-06-17"],["4E3","10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid","C16 H8 Br I N2 O2","O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Br;OC(=O)c1nc2ccc(I)cc2c3[nH]c4c(Br)cccc4c13;c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br","InChI=1S/C16H8BrIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)","","2015-03-05","2015-03-20","10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid","2015-03-25"],["4E4","2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide","C13 H20 N2 O2","C(C)C(CO)(C(=O)Nc1cnc(C)cc1)CC;CCC(CC)(CO)C(=O)Nc1ccc(C)nc1;CCC(CC)(CO)C(=O)Nc1ccc(nc1)C","InChI=1S/C13H20N2O2/c1-4-13(5-2,9-16)12(17)15-11-7-6-10(3)14-8-11/h6-8,16H,4-5,9H2,1-3H3,(H,15,17)","","2015-03-06","2024-09-27","2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide","2016-06-29"],["UVT","4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde","C12 H15 N O3 S","C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2;CC1CCCN1S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C12H15NO3S/c1-10-3-2-8-13(10)17(15,16)12-6-4-11(9-14)5-7-12/h4-7,9-10H,2-3,8H2,1H3/t10-/m0/s1","","2021-03-23","2024-09-27","4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde","2021-06-09"],["4E5","(3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline","C12 H13 N O5","N1C(C(O)=O)C(CC1)c2cc(cc(c2)O)C(O)=O;OC(=O)[CH]1NCC[CH]1c2cc(O)cc(c2)C(O)=O;c1c(cc(cc1C(=O)O)O)C2CCNC2C(=O)O","InChI=1S/C12H13NO5/c14-8-4-6(3-7(5-8)11(15)16)9-1-2-13-10(9)12(17)18/h3-5,9-10,13-14H,1-2H2,(H,15,16)(H,17,18)/t9-,10+/m1/s1","","2015-03-06","2015-07-31","(3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline","2015-08-05"],["UVU","3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione","C25 H24 N8 O2 S","CCN1C(=O)NC(=O)c2n(Cc3ccc(cc3)c4ccn(C)n4)c(Cc5cn6cc(C)sc6n5)nc12;CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)Cc5ccc(cc5)c6ccn(n6)C)C(=O)NC1=O","InChI=1S/C25H24N8O2S/c1-4-32-22-21(23(34)28-24(32)35)33(13-16-5-7-17(8-6-16)19-9-10-30(3)29-19)20(27-22)11-18-14-31-12-15(2)36-25(31)26-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,28,34,35)","","2023-02-14","2024-01-05","3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione","2024-01-10"],["4E6","(4E,6E)-hexadeca-1,4,6-triene","C16 H28","C(=C/C=C/CCCCCCCCC)CC=C;CCCCCCCCCC=CC=CCC=C;CCCCCCCCCC=CC=CCC=C","InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14-16H2,2H3/b9-7+,13-11+","","2010-10-12","2011-06-04","(4E,6E)-hexadeca-1,4,6-triene",""],["UVV","3-amino-1,6-dimethylpyridin-2(1H)-one","C7 H10 N2 O","N1(C(C)=CC=C(C1=O)N)C;CN1C(=CC=C(N)C1=O)C;CC1=CC=C(C(=O)N1C)N","InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(10)9(5)2/h3-4H,8H2,1-2H3","","2020-06-02","2020-06-12","3-amino-1,6-dimethylpyridin-2(1H)-one","2020-06-17"],["UVW","ACETYLPHOSPHATE","C2 H5 O5 P","O=C(OP(=O)(O)O)C;CC(=O)O[P](O)(O)=O;CC(=O)OP(=O)(O)O","InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)","","2000-08-25","2011-06-04","acetyl dihydrogen phosphate",""],["4E7","(3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline","C15 H19 N O4","N1C(C(C(C1)CCC)c2cc(ccc2)C(=O)O)C(O)=O;CCC[CH]1CN[CH]([CH]1c2cccc(c2)C(O)=O)C(O)=O;CCCC1CNC(C1c2cccc(c2)C(=O)O)C(=O)O","InChI=1S/C15H19NO4/c1-2-4-11-8-16-13(15(19)20)12(11)9-5-3-6-10(7-9)14(17)18/h3,5-7,11-13,16H,2,4,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13+/m1/s1","","2015-03-06","2015-07-31","(3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline","2015-08-05"],["4E8","3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine","C18 H20 F N5","Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3;Fc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1;c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3","InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2","N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine","2014-10-21","2020-06-17","3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine","2014-12-24"],["UVX","[(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate","C12 H15 N2 O8 P","O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(=C)C2)C3O;O[CH]1[CH]2[CH](O[C]1(CO[P](O)(O)=O)CC2=C)N3C=CC(=O)NC3=O;C=C1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O","InChI=1S/C12H15N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,8-10,16H,1,4-5H2,(H,13,15,17)(H2,18,19,20)/t8-,9+,10-,12-/m1/s1","","2010-10-11","2011-06-04","[(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate",""],["4E9","2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)","C27 H23 N6 O8 P","O(CC7OC(n2c1N=C(NC(c1nc2Nc4c5cccc6C(=O)c3ccccc3c(cc4)c56)=O)N)CC7O)P(O)(O)=O;NC1=Nc2n([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c(Nc4ccc5c6ccccc6C(=O)c7cccc4c57)nc2C(=O)N1;c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5C7CC(C(O7)COP(=O)(O)O)O)N=C(NC6=O)N","InChI=1S/C27H23N6O8P/c28-26-31-24-22(25(36)32-26)30-27(33(24)20-10-18(34)19(41-20)11-40-42(37,38)39)29-17-9-8-13-12-4-1-2-5-14(12)23(35)16-7-3-6-15(17)21(13)16/h1-9,18-20,34H,10-11H2,(H,29,30)(H2,37,38,39)(H3,28,31,32,36)/t18-,19+,20+/m0/s1","","2015-07-16","2016-07-01","2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)","2016-07-06"],["UVY","2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol","C7 H12 N2 O","n1cc(CCO)cn1CC;CCn1cc(CCO)cn1;CCn1cc(cn1)CCO","InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3","","2020-06-02","2020-06-12","2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol","2020-06-17"],["4EA","(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE","C23 H22 N4 O","n1ccc(cc1)C=Cc4cc(OCC(N)Cc3c2ccccc2nc3)cnc4;N[CH](COc1cncc(C=Cc2ccncc2)c1)Cc3c[nH]c4ccccc34;c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)C=Cc4ccncc4)N","InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1","","2005-12-23","2011-06-04","(2S)-1-(1H-indol-3-yl)-3-({5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl}oxy)propan-2-amine",""],["UVZ","4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde","C16 H14 Cl N O3 S","Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3;c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl","InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2","","2021-03-23","2024-09-27","4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde","2021-06-09"],["UW0","[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid","C19 H24 N O5 P","ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O;c1ccc(cc1)CCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O","InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1","","2023-06-23","2024-05-17","[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid","2024-05-22"],["4EB","4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE","C29 H26 F N3 O5 S2","Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccc(cc4C)C;Cc1ccc(SCCNc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)c4ccc(F)cc4)c(C)c1;Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F","InChI=1S/C29H26FN3O5S2/c1-19-3-14-28(20(2)17-19)39-16-15-31-26-13-12-25(18-27(26)33(35)36)40(37,38)32-29(34)23-6-4-21(5-7-23)22-8-10-24(30)11-9-22/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,34)","","2005-03-09","2011-06-04","N-{[4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluorobiphenyl-4-carboxamide",""],["4ED","5,6-dimethyl-2-[(E)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole","C16 H14 N2 S","c1ccncc1C=Cc3nc2cc(C)c(cc2s3)C;Cc1cc2sc(C=Cc3cccnc3)nc2cc1C;Cc1cc2c(cc1C)sc(n2)C=Cc3cccnc3","InChI=1S/C16H14N2S/c1-11-8-14-15(9-12(11)2)19-16(18-14)6-5-13-4-3-7-17-10-13/h3-10H,1-2H3/b6-5+","","2015-03-06","2015-05-22","5,6-dimethyl-2-[(E)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole","2015-05-27"],["UW1","5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide","C19 H23 N5 O2","O=C(c3c(N)n(nc3c1cnc2c(c1)ccc(OCC)c2)C(C)(C)C)N;CCOc1ccc2cc(cnc2c1)c3nn(c(N)c3C(N)=O)C(C)(C)C;CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N","InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)","","2014-01-30","2014-03-14","5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide","2014-03-19"],["4EE","6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","C19 H18 N4 O2 S","C4(c1ccc(OCC)cc1)=Nn3c(c2ccccc2OC)nnc3SC4;CCOc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4OC;CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC","InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3","","2015-03-06","2019-12-08","6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","2015-05-27"],["UW2","1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol","C21 H22 N6 O2","n1c(c2c(nc1)n(nc2c5cc4ccc(OC3CC3)nc4cc5)CC(O)(C)C)N;CC(C)(O)Cn1nc(c2ccc3nc(OC4CC4)ccc3c2)c5c(N)ncnc15;CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O","InChI=1S/C21H22N6O2/c1-21(2,28)10-27-20-17(19(22)23-11-24-20)18(26-27)13-3-7-15-12(9-13)4-8-16(25-15)29-14-5-6-14/h3-4,7-9,11,14,28H,5-6,10H2,1-2H3,(H2,22,23,24)","","2014-07-14","2014-09-05","1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol","2014-08-27"],["4EF","3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide","C17 H19 Cl N6 O3 S","c43c(Nc2c(N1CCOCC1)ccc(c2)S(=O)(=O)NC)ncnc3ncc4Cl;CN[S](=O)(=O)c1ccc(N2CCOCC2)c(Nc3ncnc4[nH]cc(Cl)c34)c1;CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4","InChI=1S/C17H19ClN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)","","2015-03-06","2016-03-11","3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide","2016-03-16"],["UW3","5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide","C23 H27 N5 O2","O=C(c1c(N)n(nc1c3cc4ccc(OC2CCC2)cc4nc3)C5CCCCC5)N;NC(=O)c1c(N)n(nc1c2cnc3cc(OC4CCC4)ccc3c2)C5CCCCC5;c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5","InChI=1S/C23H27N5O2/c24-22-20(23(25)29)21(27-28(22)16-5-2-1-3-6-16)15-11-14-9-10-18(12-19(14)26-13-15)30-17-7-4-8-17/h9-13,16-17H,1-8,24H2,(H2,25,29)","","2014-09-22","2014-10-10","5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide","2014-10-15"],["UW4","5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide","C21 H25 N5 O2","O=C(c1c(n(C(C)(C)C)nc1c3ccc2nc(ccc2c3)OC4CCC4)N)N;CC(C)(C)n1nc(c2ccc3nc(OC4CCC4)ccc3c2)c(C(N)=O)c1N;CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N","InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)","","2015-03-09","2015-11-20","5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide","2015-11-25"],["4EG","methyl (2Z)-3-cyano-3-phenylprop-2-enoate","C11 H9 N O2","COC(=O)[C@H]=C(C#N)c1ccccc1;COC(=O)C=C(C#N)c1ccccc1;COC(=O)C=C(C#N)c1ccccc1","InChI=1S/C11H9NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h2-7H,1H3/b10-7+","","2015-03-09","2016-01-15","methyl (2Z)-3-cyano-3-phenylprop-2-enoate","2016-01-20"],["4EH","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol","C16 H19 N7 O S","OC3CN(Cc1cnc2c1ncnc2N)CC3CSc4cnccn4;Nc1ncnc2c(CN3C[CH](O)[CH](CSc4cnccn4)C3)c[nH]c12;c1cnc(cn1)SCC2CN(CC2O)Cc3c[nH]c4c3ncnc4N","InChI=1S/C16H19N7OS/c17-16-15-14(21-9-22-16)10(3-20-15)5-23-6-11(12(24)7-23)8-25-13-4-18-1-2-19-13/h1-4,9,11-12,20,24H,5-8H2,(H2,17,21,22)/t11-,12+/m1/s1","","2015-03-09","2015-11-20","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol","2015-11-25"],["UW5","1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol","C22 H23 N5 O2","OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C;CC(C)(O)Cn1nc(c2ccc3cc(OC4CC4)ccc3c2)c5c(N)ncnc15;CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O","InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)","UW1553","2017-10-30","2021-03-01","1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol","2017-12-06"],["UW6","5-methylpyridazin-3(2H)-one","C5 H6 N2 O","O=C1C=C(C)C=NN1;CC1=CC(=O)NN=C1;CC1=CC(=O)NN=C1","InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)","","2022-08-26","2022-10-28","5-methylpyridazin-3(2H)-one","2022-11-02"],["4EI","perfluoroheptanoic acid","C7 H F13 O2","OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)","","2021-07-27","2022-07-15","2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoic acid","2022-07-20"],["4EJ","4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile","C20 H15 N5","c1(ccc(cc1)c3n2nc(ccc2nc3)NCc4ccccc4)C#N;N#Cc1ccc(cc1)c2cnc3ccc(NCc4ccccc4)nn23;c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N","InChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24)","","2015-03-09","2015-05-29","4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile","2015-06-03"],["UW7","(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid","C8 H11 N3 O2","n2n(c1CC(C(O)=O)CCc1n2)C;Cn1nnc2CC[CH](Cc12)C(O)=O;Cn1c2c(nn1)CCC(C2)C(=O)O","InChI=1S/C8H11N3O2/c1-11-7-4-5(8(12)13)2-3-6(7)9-10-11/h5H,2-4H2,1H3,(H,12,13)/t5-/m0/s1","","2020-06-02","2020-06-12","(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid","2020-06-17"],["UW8","2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid","C18 H18 O21 Ti","OC(=O)CC1(CC(O)=O)O[Ti]23(OC1=O)(OC(=O)C(CC(O)=O)(CC(O)=O)O2)OC(=O)C(CC(O)=O)(CC(O)=O)O3;C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O","InChI=1S/3C6H7O7.Ti/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;/h3*1-2H2,(H,7,8)(H,9,10)(H,11,12);/q3*-1;+6/p-3","","2021-03-23","2022-04-08","2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid","2022-04-13"],["4EK","6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine","C21 H18 F N5","c1(cccc(c1)C5CCCN5c4nn3c(ncc3c2ncccc2)cc4)F;Fc1cccc(c1)[CH]2CCCN2c3ccc4ncc(n4n3)c5ccccn5;c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F","InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1","","2015-03-10","2015-05-29","6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine","2015-06-03"],["4EL","3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid","C23 H21 N5 O5 S2","c2c(c1ccc(OC)nc1)cc(cc2CNc4ccc(S(=O)(Nc3nnc(C)s3)=O)cc4)C(O)=O;COc1ccc(cn1)c2cc(CNc3ccc(cc3)[S](=O)(=O)Nc4sc(C)nn4)cc(c2)C(O)=O;Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC","InChI=1S/C23H21N5O5S2/c1-14-26-27-23(34-14)28-35(31,32)20-6-4-19(5-7-20)24-12-15-9-17(11-18(10-15)22(29)30)16-3-8-21(33-2)25-13-16/h3-11,13,24H,12H2,1-2H3,(H,27,28)(H,29,30)","","2015-03-10","2015-06-12","3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid","2015-06-17"],["UW9","1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C24 H30 N6 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC(N(C)C)C(C)C)N;CCOc1ccc2cc(ccc2c1)c3nn(C[CH](C(C)C)N(C)C)c4ncnc(N)c34;CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC(C(C)C)N(C)C)N","InChI=1S/C24H30N6O/c1-6-31-19-10-9-16-11-18(8-7-17(16)12-19)22-21-23(25)26-14-27-24(21)30(28-22)13-20(15(2)3)29(4)5/h7-12,14-15,20H,6,13H2,1-5H3,(H2,25,26,27)/t20-/m1/s1","","2011-12-23","2012-03-09","1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["4EM","(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate","C16 H27 N4 O8 P","P(OCC(C(C(NCCC(=O)NCCNC(=O)c1cccn1)=O)O)(C)C)(O)(O)=O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)c1[nH]ccc1;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O","InChI=1S/C16H27N4O8P/c1-16(2,10-28-29(25,26)27)13(22)15(24)19-7-5-12(21)18-8-9-20-14(23)11-4-3-6-17-11/h3-4,6,13,17,22H,5,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t13-/m0/s1","","2015-07-21","2024-09-27","(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate","2015-09-16"],["UWA","3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C21 H23 N5 O","n1c(c2c(nc1)n(nc2c4cc3cc(OCC)ccc3cc4)CC(C)C)N;CCOc1ccc2ccc(cc2c1)c3nn(CC(C)C)c4ncnc(N)c34;CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N","InChI=1S/C21H23N5O/c1-4-27-17-8-7-14-5-6-15(9-16(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24)","","2014-09-22","2014-10-10","3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-10-15"],["4EN","[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O6 P","Nc1ncnc2nn(cc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1c2c(ncnc2nn1C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-9-5-2-15(14-10(5)13-4-12-9)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,17,18,19)(H2,11,12,13,14)/t6-,7+,8+/m0/s1","","2015-07-27","2016-09-02","[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2016-09-07"],["UWB","3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C23 H26 N6 O","n1c(c2c(nc1)n(nc2c4cc3cc(OCC)ccc3cc4)CC5CCNCC5)N;CCOc1ccc2ccc(cc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35;CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N","InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-3-4-17(11-18(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)","","2014-09-22","2014-10-10","3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-10-15"],["UWC","methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate","C27 H32 N8 O5","CCN1C(=O)NC(=O)c2n(Cc3cccc(c3)C(=O)NC[CH](N)C(=O)OC)c(Cc4cn5CCCCc5n4)nc12;CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5cccc(c5)C(=O)NCC(C(=O)OC)N)C(=O)NC1=O","InChI=1S/C27H32N8O5/c1-3-34-23-22(25(37)32-27(34)39)35(21(31-23)12-18-15-33-10-5-4-9-20(33)30-18)14-16-7-6-8-17(11-16)24(36)29-13-19(28)26(38)40-2/h6-8,11,15,19H,3-5,9-10,12-14,28H2,1-2H3,(H,29,36)(H,32,37,39)/t19-/m0/s1","","2023-02-14","2024-01-05","methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate","2024-01-10"],["4EO","1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one","C15 H14 N2 O3","O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CC;CCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O;CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O","InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)","","2015-03-11","2016-03-04","1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one","2016-03-09"],["4EP","1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one","C16 H16 N2 O3","O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CCC;CCCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O;CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O","InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)","","2015-03-11","2016-03-04","1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one","2016-03-09"],["UWD","N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine","C8 H10 N4","n2c(n1ccccc1n2)CNC;CNCc1nnc2ccccn12;CNCc1nnc2n1cccc2","InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3","","2020-06-02","2020-06-12","N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine","2020-06-17"],["4EQ","1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one","C19 H17 Cl N4 O5 S","OS(O)(c1cnccc1)NCc2cc3c(cc2)N(C(N3)=O)c4cc(Cl)c(cc4O)O;Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](O)(O)c4cccnc4)ccc23;c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O","InChI=1S/C19H17ClN4O5S/c20-13-7-16(18(26)8-17(13)25)24-15-4-3-11(6-14(15)23-19(24)27)9-22-30(28,29)12-2-1-5-21-10-12/h1-8,10,22,25-26,28-29H,9H2,(H,23,27)","","2015-03-11","2016-03-04","1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one","2016-03-09"],["UWE","$l^{3}-oxidanylidynemethylnickel","C Ni O","[Ni]C#[O+];C(#[O+])[Ni]","InChI=1S/CO.Ni/c1-2;/q+1;","","2021-03-23","2022-04-08","oxidaniumylidynemethylnickel","2022-04-13"],["4ER","6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine","C9 H8 Cl N5","Clc1c(cccc1)c2nc(nc(n2)N)N;Nc1nc(N)nc(n1)c2ccccc2Cl;c1ccc(c(c1)c2nc(nc(n2)N)N)Cl","InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)","","2015-03-11","2016-03-04","6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine","2016-03-09"],["UWF","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-propan-2-yl-amino]methyl]oxolane-3,4-diol","C26 H33 N11 O7","CC(C)N(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CC(C)N(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C26H33N11O7/c1-11(2)35(6-12-17(39)19(41)25(43-12)36-10-33-15-21(27)29-8-31-23(15)36)5-3-4-14-34-16-22(28)30-9-32-24(16)37(14)26-20(42)18(40)13(7-38)44-26/h8-13,17-20,25-26,38-42H,5-7H2,1-2H3,(H2,27,29,31)(H2,28,30,32)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1","","2023-09-07","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-propan-2-yl-amino]methyl]oxolane-3,4-diol","2025-03-19"],["UWG","(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol","C10 H16 N2 O","n1(cc(C(C)O)cn1)C2CCCC2;C[CH](O)c1cnn(c1)C2CCCC2;CC(c1cnn(c1)C2CCCC2)O","InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1","","2020-06-02","2020-06-12","(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol","2020-06-17"],["4ES","4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine","C11 H9 Cl N4 O2","[O-][N+](=O)c1ccc(c(c1)Cl)c2cc(nc(n2)N)C;Cc1cc(nc(N)n1)c2ccc(cc2Cl)[N+]([O-])=O;Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-]","InChI=1S/C11H9ClN4O2/c1-6-4-10(15-11(13)14-6)8-3-2-7(16(17)18)5-9(8)12/h2-5H,1H3,(H2,13,14,15)","","2015-03-11","2016-03-04","4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine","2016-03-09"],["4ET","(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone","C13 H9 Cl O3","Clc1cc(c(cc1)O)C(c2ccc(cc2)O)=O;Oc1ccc(cc1)C(=O)c2cc(Cl)ccc2O;c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O","InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H","","2015-03-11","2016-03-04","(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone","2016-03-09"],["UWH","4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde","C14 H20 N2 O4 S","COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2;COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C14H20N2O4S/c1-20-11-10-15-6-8-16(9-7-15)21(18,19)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3","","2021-03-23","2024-09-27","4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde","2021-06-09"],["4EU","(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone","C13 H10 O4","O=C(c1ccc(cc1O)O)c2ccc(cc2)O;Oc1ccc(cc1)C(=O)c2ccc(O)cc2O;c1cc(ccc1C(=O)c2ccc(cc2O)O)O","InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H","","2015-03-11","2016-03-04","(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone","2016-03-09"],["UWI","oxane-4-carboxamide","C6 H11 N O2","NC(=O)C1CCOCC1;NC(=O)C1CCOCC1;C1COCCC1C(=O)N","InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)","","2022-08-26","2022-10-28","oxane-4-carboxamide","2022-11-02"],["4EV","(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone","C13 H10 O4","O=C(c1ccc(cc1O)O)c2cccc(c2)O;Oc1ccc(c(O)c1)C(=O)c2cccc(O)c2;c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O","InChI=1S/C13H10O4/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,14-16H","","2015-03-11","2016-03-04","(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone","2016-03-09"],["UWJ","5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione","C11 H17 N2 O8 P Se","C1(NC(C(=CN1C2OC(COP(=O)(O)O)C(O)C2[Se]C)C)=O)=O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)[Se]C","InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8+,10-/m1/s1","","2020-06-02","2021-05-28","5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione","2021-06-02"],["UWK","4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde","C13 H17 N O4 S","CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2;COC1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C13H17NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t12-/m1/s1","","2021-03-24","2024-09-27","4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde","2021-06-09"],["4EW","2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine","C20 H19 Cl F N9","C1C6CCC(C1)C(Nc4c(cnc(c3c2cc(Cl)cnc2nc3)n4)F)C6c5nnnn5;Fc1cnc(nc1N[CH]2C3CCC(CC3)[CH]2c4[nH]nnn4)c5c[nH]c6ncc(Cl)cc56;c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)NC4C5CCC(C4c6[nH]nnn6)CC5)F)Cl","InChI=1S/C20H19ClFN9/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20-28-30-31-29-20/h5-10,15-16H,1-4H2,(H,23,24)(H,25,26,27)(H,28,29,30,31)/t9-,10+,15-,16-/m0/s1","","2015-03-12","2015-04-10","2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine","2015-04-15"],["4EX","(3~{a}~{S},6~{S},6~{a}~{R})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{H}-furo[2,3-d][1,3,2]dioxaborol-6-ol","C5 H10 B O6","C[C]12OC[CH](O)[CH]1O[B](O)(O)O2;B1(OC2C(COC2(O1)C)O)(O)O","InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/t3-,4+,5+/m0/s1","","2015-03-13","2017-09-11","(3aS,6S,6aR)-3a-methyl-2,2-bis(oxidanyl)-6,6a-dihydro-5H-furo[2,3-d][1,3,2]dioxaborol-6-ol","2016-03-23"],["UWL","1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone","C26 H28 Cl F N4 O2","CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[CH]2c5ccc(Cl)cc5F;CCc1c(ccc(n1)C)OCC(=O)N2CCc3c(n4c(n3)CCCC4)C2c5ccc(cc5F)Cl","InChI=1S/C26H28ClFN4O2/c1-3-20-22(10-7-16(2)29-20)34-15-24(33)32-13-11-21-26(31-12-5-4-6-23(31)30-21)25(32)18-9-8-17(27)14-19(18)28/h7-10,14,25H,3-6,11-13,15H2,1-2H3/t25-/m0/s1","","2023-02-14","2024-01-05","1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone","2024-01-10"],["UWM","trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile","C20 H17 N9","n1c(cn4c(c1c2cnn(c2)C3(CC#N)CC(C#N)C3)ccn4)c5cn(nc5)C;Cn1cc(cn1)c2cn3nccc3c(n2)c4cnn(c4)[C]5(CC#N)C[CH](C5)C#N;Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N","InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-","","2020-06-02","2020-11-20","trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile","2020-11-25"],["4EY","3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium","C12 H15 N O8 P S2","O=C(S)c1cc(c[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O)C=S;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)[n+]2cc(C=S)cc(c2)C(S)=O;c1c(c[n+](cc1C(=O)S)C2C(C(C(O2)COP(=O)(O)O)O)O)C=S","InChI=1S/C12H14NO8PS2/c14-9-8(4-20-22(17,18)19)21-11(10(9)15)13-2-6(5-23)1-7(3-13)12(16)24/h1-3,5,8-11,14-15H,4H2,(H2-,16,17,18,19,24)/p+1/t8-,9-,10-,11-/m1/s1","Dithiodinicotinic acid mononucleotide","2015-03-13","2024-09-27","3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium","2015-07-15"],["4EZ","{[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol","C14 H23 N5 O","C(O)N(CCCCCC)Cc2c1ncnc(c1nc2)N;CCCCCCN(CO)Cc1c[nH]c2c(N)ncnc12;CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO","InChI=1S/C14H23N5O/c1-2-3-4-5-6-19(10-20)8-11-7-16-13-12(11)17-9-18-14(13)15/h7,9,16,20H,2-6,8,10H2,1H3,(H2,15,17,18)","","2015-03-13","2015-11-20","{[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol","2015-11-25"],["UWN","[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}","C32 H43 N5 O2","O=C(N2CCC(N1CCCC1)CC2)c4ccc(c(Nc3ccccc3)c4)C(=O)N6CCC(N5CCCC5)CC6;O=C(N1CCC(CC1)N2CCCC2)c3ccc(C(=O)N4CC[CH](CC4)N5CCCC5)c(Nc6ccccc6)c3;c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6","InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2","","2011-12-05","2012-03-02","[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}",""],["UWO","methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate","C24 H21 F3 N2 O4","COC(=O)c1ccc2N([CH](c3ccc(cc3)C(F)(F)F)C4=C(CCCC4=O)Nc2c1)C(C)=O;CC(=O)N1c2ccc(cc2NC3=C(C1c4ccc(cc4)C(F)(F)F)C(=O)CCC3)C(=O)OC","InChI=1S/C24H21F3N2O4/c1-13(30)29-19-11-8-15(23(32)33-2)12-18(19)28-17-4-3-5-20(31)21(17)22(29)14-6-9-16(10-7-14)24(25,26)27/h6-12,22,28H,3-5H2,1-2H3/t22-/m1/s1","","2023-06-23","2024-09-27","methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate","2023-08-16"],["4F0","(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol","C13 H19 N5 O S","c1nc(c3c(n1)c(CN2CC(CSC)C(C2)O)cn3)N;CSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23;CSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m0/s1","","2015-03-13","2015-08-21","(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol","2015-08-26"],["4F1","4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid","C22 H12 Cl F3 N2 O3","n3(C(=O)c1c(Cl)cccc1C(F)(F)F)c4ccccc4c(c2ccc(cc2)C(O)=O)n3;OC(=O)c1ccc(cc1)c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c4ccccc24;c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O","InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)","","2015-03-13","2015-12-11","4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid","2015-12-16"],["UWP","[3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile","C20 H18 F3 N9","n15c(c(nc(c1)c2cnn(C)c2)c3cn(nc3)C4(CN(C4)CC(F)(F)F)CC#N)ccn5;Cn1cc(cn1)c2cn3nccc3c(n2)c4cnn(c4)C5(CC#N)CN(CC(F)(F)F)C5;Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N","InChI=1S/C20H18F3N9/c1-29-8-14(6-26-29)16-10-31-17(2-5-25-31)18(28-16)15-7-27-32(9-15)19(3-4-24)11-30(12-19)13-20(21,22)23/h2,5-10H,3,11-13H2,1H3","","2020-06-02","2020-11-20","[3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile","2020-11-25"],["4F2","1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea","C22 H32 N6 O2","C1CC(CCC1Nc4nc3c(C=CC(=O)N3C2CCCC2)cn4)NC(NC(C)C)=O;CC(C)NC(=O)N[CH]1CC[CH](CC1)Nc2ncc3C=CC(=O)N(C4CCCC4)c3n2;CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4","InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-","","2015-03-13","2015-05-01","1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea","2015-05-06"],["UWQ","4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde","C13 H17 N O4 S","COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2;COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3","","2021-03-24","2024-09-27","4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde","2021-06-09"],["4F3","[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-FLUORO-1H-INDOL-3-YLMETHYL)-5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID","C17 H19 F N4 O4","O=C(O)Cn1c(O)c(nc1C(N)C(O)C)Cc3c2c(F)cccc2nc3;C[CH](O)[CH](N)c1nc(Cc2c[nH]c3cccc(F)c23)c(O)n1CC(O)=O;CC(C(c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O","InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,15,20,23,26H,5,7,19H2,1H3,(H,24,25)/t8-,15-/m0/s1","","2003-12-16","2024-09-27","{2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid",""],["UWR","(2R)-amino(3-chlorophenyl)acetonitrile","C8 H7 Cl N2","NC(C#N)c1cc(Cl)ccc1;N[CH](C#N)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(C#N)N","InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m0/s1","","2022-08-26","2022-10-28","(2R)-amino(3-chlorophenyl)acetonitrile","2022-11-02"],["UWS","6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one","C10 H11 N3 O2","N=2N(Cc1cc(C)no1)C(C=CC=2C)=O;CC1=NN(Cc2onc(C)c2)C(=O)C=C1;Cc1cc(on1)CN2C(=O)C=CC(=N2)C","InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3","","2020-06-03","2020-06-12","6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one","2020-06-17"],["4F4","N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide","C24 H19 N5 O2 S2","c2(ccc(NC(=O)c1cccs1)cc2)N(C(=O)Cn4c3c(cccc3)nn4)Cc5cscc5;O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)c5sccc5)cc4;c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5","InChI=1S/C24H19N5O2S2/c30-23(15-29-21-5-2-1-4-20(21)26-27-29)28(14-17-11-13-32-16-17)19-9-7-18(8-10-19)25-24(31)22-6-3-12-33-22/h1-13,16H,14-15H2,(H,25,31)","","2015-03-15","2015-07-31","N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide","2015-08-05"],["4F5","N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide","C26 H28 N6 O3 S","CC(Nc4ccc(N(C(c1cscc1)C(NC(C)(C)C)=O)C(=O)Cn2nnc3c2cccc3)cc4)=O;CC(=O)Nc1ccc(cc1)N([CH](C(=O)NC(C)(C)C)c2cscc2)C(=O)Cn3nnc4ccccc34;CC(=O)Nc1ccc(cc1)N(C(c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3","InChI=1S/C26H28N6O3S/c1-17(33)27-19-9-11-20(12-10-19)32(23(34)15-31-22-8-6-5-7-21(22)29-30-31)24(18-13-14-36-16-18)25(35)28-26(2,3)4/h5-14,16,24H,15H2,1-4H3,(H,27,33)(H,28,35)/t24-/m1/s1","","2015-03-15","2015-07-31","N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide","2015-08-05"],["UWT","(2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol","C9 H20 O4","C[CH](O)CO[CH](C)CO[CH](C)CO;CC(CO)OCC(C)OCC(C)O","InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9-/m0/s1","(2~{R})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol","2021-03-24","2021-07-09","(2~{R})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol","2021-07-14"],["4F6","4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile","C23 H18 F N5 O","c5(cc(C4N(c3ccc1n(c(cn1)c2ccc(cc2)C#N)n3)CCOC4)ccc5)F;Fc1cccc(c1)[CH]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N;c1cc(cc(c1)F)C2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N","InChI=1S/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2/t21-/m0/s1","","2015-03-16","2015-05-29","4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile","2015-06-03"],["UWU","6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one","C15 H9 Cl O3","Clc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3;Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl;c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl","InChI=1S/C15H9ClO3/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,17H","","2012-06-10","2014-09-05","6-chloro-7-hydroxy-4-phenyl-2H-chromen-2-one","2013-01-18"],["4F7","2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline","C19 H16 N4","c1ccccc1c2nc(nc2)CCc4cnc3ccccc3n4;C(Cc1cnc2ccccc2n1)c3[nH]cc(n3)c4ccccc4;c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3","InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)","","2015-03-16","2015-04-24","2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline","2015-04-29"],["UWV","2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline","C10 H10 F N3","n2nc(CNc1ccccc1F)cc2;Fc1ccccc1NCc2cc[nH]n2;c1ccc(c(c1)NCc2cc[nH]n2)F","InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)","","2020-06-03","2020-06-12","2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline","2020-06-17"],["UWX","~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide","C24 H30 N4 O5 S","CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCOCC4;CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C","InChI=1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3","","2017-01-18","2018-02-09","~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide","2018-02-14"],["4F8","2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID","C11 H8 N2 O4","O=C(O)c2nc(c1ccccc1)nc2C(=O)O;OC(=O)c1[nH]c(nc1C(O)=O)c2ccccc2;c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O","InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)","","2010-08-25","2011-06-04","2-phenyl-1H-imidazole-4,5-dicarboxylic acid",""],["4F9","4-(1H-imidazol-5-yl)pyridine","C8 H7 N3","c1c(ccnc1)c2cncn2;[nH]1cncc1c2ccncc2;c1cnccc1c2cnc[nH]2","InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H,(H,10,11)","","2015-03-16","2016-03-11","4-(1H-imidazol-5-yl)pyridine","2016-03-16"],["UWY","N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide","C11 H17 N3 O","N(c1cnn(c1)CC)C(=O)C2CCCC2;CCn1cc(NC(=O)C2CCCC2)cn1;CCn1cc(cn1)NC(=O)C2CCCC2","InChI=1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)","","2020-06-03","2020-06-12","N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide","2020-06-17"],["4FA","4-FLUOROPHENETHYL ALCOHOL","C8 H9 F O","Fc1ccc(cc1)CCO;OCCc1ccc(F)cc1;c1cc(ccc1CCO)F","InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2","","2003-04-01","2011-06-04","2-(4-fluorophenyl)ethanol",""],["UWZ","~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide","C20 H23 F2 N5 O4","CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3;CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3","InChI=1S/C20H23F2N5O4/c1-23-16(28)12-27(11-13-6-2-3-7-15(13)31-20(21)22)18(29)14-10-24-17(25-14)19(30)26-8-4-5-9-26/h2-3,6-7,10,20H,4-5,8-9,11-12H2,1H3,(H,23,28)(H,24,25)","","2021-03-25","2021-04-02","~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide","2021-04-07"],["4FB","(4S)-4-FLUORO-L-PROLINE","C5 H8 F N O2","O=C(O)C1NCC(F)C1;OC(=O)[CH]1C[CH](F)CN1;C1C(CNC1C(=O)O)F","InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1","","2007-06-06","2024-09-27","(4S)-4-fluoro-L-proline",""],["UX0","(1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL","C15 H19 N3 O4","COc1cccc2ncnc(N[CH]3C[CH](CO)[CH](O)[CH]3O)c12;COc1cccc2c1c(ncn2)NC3CC(C(C3O)O)CO","InChI=1S/C15H19N3O4/c1-22-11-4-2-3-9-12(11)15(17-7-16-9)18-10-5-8(6-19)13(20)14(10)21/h2-4,7-8,10,13-14,19-21H,5-6H2,1H3,(H,16,17,18)/t8-,10-,13-,14+/m1/s1","","2015-09-22","2016-09-30","(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(5-methoxyquinazolin-4-yl)amino]cyclopentane-1,2-diol","2016-10-05"],["UX1","1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide","C12 H14 F N O","c1(c(cccc1)F)CC2(CC2)C(NC)=O;CNC(=O)C1(CC1)Cc2ccccc2F;CNC(=O)C1(CC1)Cc2ccccc2F","InChI=1S/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)","","2020-06-03","2020-06-12","1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide","2020-06-17"],["4FC","4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID","C13 H9 F O2","Fc2ccc(c1ccc(C(=O)O)cc1)cc2;OC(=O)c1ccc(cc1)c2ccc(F)cc2;c1cc(ccc1c2ccc(cc2)F)C(=O)O","InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)","","2005-03-04","2011-06-04","4'-fluorobiphenyl-4-carboxylic acid",""],["4FD","6-(benzylamino)pyridine-3-carboxamide","C13 H13 N3 O","NC(c1cnc(cc1)NCc2ccccc2)=O;NC(=O)c1ccc(NCc2ccccc2)nc1;c1ccc(cc1)CNc2ccc(cn2)C(=O)N","InChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16)","","2015-03-16","2016-03-11","6-(benzylamino)pyridine-3-carboxamide","2016-03-16"],["UX2","9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine","C13 H8 Cl N5 O","Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4;c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl","InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)","","2021-03-25","2022-09-30","9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine","2022-10-05"],["UX3","3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione","C28 H28 N6 O2","CCN1C(=O)NC(=O)c2n(Cc3ccc(cc3)c4ccccc4)c(Cc5cn6CCCCc6n5)nc12;CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccc(cc5)c6ccccc6)C(=O)NC1=O","InChI=1S/C28H28N6O2/c1-2-33-26-25(27(35)31-28(33)36)34(17-19-11-13-21(14-12-19)20-8-4-3-5-9-20)24(30-26)16-22-18-32-15-7-6-10-23(32)29-22/h3-5,8-9,11-14,18H,2,6-7,10,15-17H2,1H3,(H,31,35,36)","","2023-02-14","2024-01-05","3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione","2024-01-10"],["4FE","(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","C10 H10 O4","O=C(O)C=Cc1ccc(OC)c(O)c1;COc1ccc(C=CC(O)=O)cc1O;COc1ccc(cc1O)C=CC(=O)O","InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+","3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPENOIC ACID","2008-02-25","2021-03-01","(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid",""],["4FF","5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID","C11 H10 N2 O2","O=C(O)c2nc(c1ccccc1)nc2C;Cc1[nH]c(nc1C(O)=O)c2ccccc2;Cc1c(nc([nH]1)c2ccccc2)C(=O)O","InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)","","2010-08-25","2011-06-04","5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid",""],["UX4","ethyl 4-[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate","C21 H29 N5 O4 S","O=C(OCC)N1CCN(CC1)C(=O)Nc2sc3c(c2C)C(N4C(=N3)CCC(C)CC4)=O;CCOC(=O)N1CCN(CC1)C(=O)Nc2sc3N=C4CC[CH](C)CCN4C(=O)c3c2C;CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CCC(CCN4C3=O)C)C","InChI=1S/C21H29N5O4S/c1-4-30-21(29)25-11-9-24(10-12-25)20(28)23-17-14(3)16-18(31-17)22-15-6-5-13(2)7-8-26(15)19(16)27/h13H,4-12H2,1-3H3,(H,23,28)/t13-/m1/s1","","2017-12-07","2018-11-30","ethyl 4-{[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoyl}piperazine-1-carboxylate","2018-12-05"],["UX5","N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide","C15 H15 N5 O2","CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3;CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(cc3)N","InChI=1S/C15H15N5O2/c1-9-12(8-17-13-6-14(21)19-20(9)13)15(22)18-7-10-2-4-11(16)5-3-10/h2-6,8H,7,16H2,1H3,(H,18,22)(H,19,21)","~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide","2021-03-25","2023-02-10","~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide","2023-02-15"],["4FG","6-aminopyridine-3-carboxamide","C6 H7 N3 O","c1c(cnc(c1)N)C(=O)N;NC(=O)c1ccc(N)nc1;c1cc(ncc1C(=O)N)N","InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)","","2015-03-16","2016-03-11","6-aminopyridine-3-carboxamide","2016-03-16"],["4FH","1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione","C6 H4 F3 N O S","S=C1C=C(C=CN1O)C(F)(F)F;ON1C=CC(=CC1=S)C(F)(F)F;C1=CN(C(=S)C=C1C(F)(F)F)O","InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-10(11)5(12)3-4/h1-3,11H","","2014-04-29","2015-03-06","1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione","2015-03-11"],["UX6","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-carbamimidamido-butanamide","C28 H36 N14 O8","NC(=N)NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)CCCNC(=N)N)O)O)N)O)O)N","InChI=1S/C28H36N14O8/c29-22-16-24(37-9-35-22)41(11-39-16)26-20(46)19(45)13(50-26)8-48-6-2-3-14-40-17-23(30)36-10-38-25(17)42(14)27-21(47)18(44)12(49-27)7-34-15(43)4-1-5-33-28(31)32/h9-13,18-21,26-27,44-47H,1,4-8H2,(H,34,43)(H2,29,35,37)(H2,30,36,38)(H4,31,32,33)/t12-,13+,18-,19-,20-,21-,26+,27+/m1/s1","","2023-09-07","2025-03-14","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-carbamimidamido-butanamide","2025-03-19"],["4FI","(2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid","C24 H21 N3 O3","O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4cc3ccccc3cc4;Cn1nc(cc1C(=O)N[CH](Cc2ccc3ccccc3c2)C(O)=O)c4ccccc4;Cn1c(cc(n1)c2ccccc2)C(=O)NC(Cc3ccc4ccccc4c3)C(=O)O","InChI=1S/C24H21N3O3/c1-27-22(15-20(26-27)18-8-3-2-4-9-18)23(28)25-21(24(29)30)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3,(H,25,28)(H,29,30)/t21-/m1/s1","","2009-10-23","2011-06-04","(2R)-2-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid (non-preferred name)",""],["UX7","N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide","C12 H12 N2 O2 S","N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3;COc1ccc2nc(NC(=O)C3CC3)sc2c1;COc1ccc2c(c1)sc(n2)NC(=O)C3CC3","InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)","","2020-06-03","2020-06-12","N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide","2020-06-17"],["4FJ","1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]","C30 H30 F N5 O2","Fc7ccc2c(nc(c1ncccc1)c(c2N5c3cc(cnc3C4(CCOCC4)C5)N6CCOCC6)C)c7;Cc1c(nc2cc(F)ccc2c1N3CC4(CCOCC4)c5ncc(cc35)N6CCOCC6)c7ccccn7;Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7","InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3","","2012-06-20","2012-10-19","1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]","2012-10-19"],["UX8","(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid","C11 H12 N2 O3","N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)C(C(C(=O)O)N)O","InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10+/m0/s1","","2021-03-25","2024-09-27","(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid","2021-04-21"],["UX9","methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate","C42 H49 N5 O6","O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C;COC(=O)N[CH](C(=O)NN(CC[C]1(Cc2ccccc2)[CH](O)CN([CH]3[CH](O)Cc4ccccc34)C1=O)Cc5ccc(cc5)c6ccncc6)C(C)(C)C;CC(C)(C)C(C(=O)NN(CCC1(C(CN(C1=O)C2c3ccccc3CC2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC","InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1","","2011-10-20","2020-05-30","methyl [(1S)-1-{[2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-(4-pyridin-4-ylbenzyl)hydrazino]carbonyl}-2,2-dimethylpropyl]carbamate (non-preferred name)","2012-11-02"],["4FK","N-{4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide","C17 H14 F N3 O S","CC(=O)Nc1ccc(cc1)c1csc(Nc2ccc(F)cc2)n1;CC(=O)Nc1ccc(cc1)c2csc(Nc3ccc(F)cc3)n2;CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)F","InChI=1S/C17H14FN3OS/c1-11(22)19-14-6-2-12(3-7-14)16-10-23-17(21-16)20-15-8-4-13(18)5-9-15/h2-10H,1H3,(H,19,22)(H,20,21)","","2021-07-08","2022-04-22","N-{4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide","2022-04-27"],["4FL","4-(1H-imidazol-2-yl)pyridine","C8 H7 N3","c1c(ccnc1)c2nccn2;[nH]1ccnc1c2ccncc2;c1cnccc1c2[nH]ccn2","InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H,(H,10,11)","","2015-03-16","2016-03-11","4-(1H-imidazol-2-yl)pyridine","2016-03-16"],["UXA","~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide","C11 H11 N O3","c1(cc2c(cc1)OCO2)C(NC3CC3)=O;O=C(NC1CC1)c2ccc3OCOc3c2;c1cc2c(cc1C(=O)NC3CC3)OCO2","InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)","","2020-06-03","2020-06-12","N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide","2020-06-17"],["4FM","4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide","C10 H9 Cl N4 O2","c1c(ccc(c1)Cl)CNC(c2c(non2)N)=O;Nc1nonc1C(=O)NCc2ccc(Cl)cc2;c1cc(ccc1CNC(=O)c2c(non2)N)Cl","InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)","","2015-03-16","2016-03-11","4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide","2016-03-16"],["UXB","(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol","C9 H12 Cl N O","NC(CCO)c1cc(Cl)ccc1;N[CH](CCO)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(CCO)N","InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1","","2022-08-26","2022-10-28","(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol","2022-11-02"],["4FN","N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide","C26 H31 N3 O3","N(C1(CCCCC1)CNC(c2cccc(c2)C(C)(C)C)=O)C(c4cccc3c4con3)=O;CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4nocc34;CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4","InChI=1S/C26H31N3O3/c1-25(2,3)19-10-7-9-18(15-19)23(30)27-17-26(13-5-4-6-14-26)28-24(31)20-11-8-12-22-21(20)16-32-29-22/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,30)(H,28,31)","","2015-03-16","2016-03-11","N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide","2016-03-16"],["UXC","3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione","C18 H20 N6 O3 S","CCN1C(=O)NC(=O)c2n(CC3COC3)c(Cc4cn5cc(C)sc5n4)nc12;CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)CC5COC5)C(=O)NC1=O","InChI=1S/C18H20N6O3S/c1-3-23-15-14(16(25)21-17(23)26)24(6-11-8-27-9-11)13(20-15)4-12-7-22-5-10(2)28-18(22)19-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,21,25,26)","","2023-02-14","2024-01-05","3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione","2024-01-10"],["UXD","(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone","C8 H11 N3 O","n1cc(cn1)C(N2CCCC2)=O;O=C(N1CCCC1)c2c[nH]nc2;c1c(cn[nH]1)C(=O)N2CCCC2","InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)","","2020-06-03","2020-06-12","(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone","2020-06-17"],["4FO","(2R)-2,4-diaminobutanoic acid","C4 H10 N2 O2","NC(CCN)C(=O)O;NCC[CH](N)C(O)=O;C(CN)C(C(=O)O)N","InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1","","2015-08-03","2024-09-27","(2R)-2,4-diaminobutanoic acid","2016-09-21"],["4FP","4-(4-FLUOROBENZYL)PIPERIDINE","C12 H16 F N","Fc1ccc(cc1)CC2CCNCC2;Fc1ccc(CC2CCNCC2)cc1;c1cc(ccc1CC2CCNCC2)F","InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2","","2007-01-12","2011-06-04","4-(4-fluorobenzyl)piperidine",""],["UXE","4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol","C30 H41 N7 O","CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)cn2;CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C","InChI=1S/C30H41N7O/c1-29(2)10-14-36(15-11-29)21-26-9-8-25(20-31-26)33-22-30(38)12-16-37(17-13-30)28-18-27(34-23-35-28)32-19-24-6-4-3-5-7-24/h3-9,18,20,23,33,38H,10-17,19,21-22H2,1-2H3,(H,32,34,35)","","2021-03-25","2021-08-27","4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol","2021-09-01"],["4FQ","4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid","C28 H25 N5 O8 S2","CC(C)C(c2c1n(cccc1)nc2Cc3cccc(c3)N=Nc5ccc4c(S(O)(=O)=O)cc(c(c4c5O)N)S(O)(=O)=O)=O;CC(C)C(=O)c1c(Cc2cccc(c2)N=Nc3ccc4c(cc(c(N)c4c3O)[S](O)(=O)=O)[S](O)(=O)=O)nn5ccccc15;CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)N=Nc4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C28H25N5O8S2/c1-15(2)27(34)25-20(32-33-11-4-3-8-21(25)33)13-16-6-5-7-17(12-16)30-31-19-10-9-18-22(42(36,37)38)14-23(43(39,40)41)26(29)24(18)28(19)35/h3-12,14-15,35H,13,29H2,1-2H3,(H,36,37,38)(H,39,40,41)/b31-30+","","2015-03-17","2019-11-22","4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid","2019-11-27"],["UXG","1-(diphenylmethyl)azetidin-3-ol","C16 H17 N O","c1(ccccc1)C(c2ccccc2)N3CC(C3)O;OC1CN(C1)C(c2ccccc2)c3ccccc3;c1ccc(cc1)C(c2ccccc2)N3CC(C3)O","InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2","","2020-06-03","2020-06-12","1-(diphenylmethyl)azetidin-3-ol","2020-06-17"],["4FR","3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide","C34 H34 Cl N7 O3","O=C(N)c1ccccc1c2cc(cc(Cl)c2)n6nc(c3c6cc(nc3)Nc5ccc(C(=O)NC4CCN(C)CC4)cc5OC)C;COc1cc(ccc1Nc2cc3n(nc(C)c3cn2)c4cc(Cl)cc(c4)c5ccccc5C(N)=O)C(=O)NC6CCN(C)CC6;Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C","InChI=1S/C34H34ClN7O3/c1-20-28-19-37-32(39-29-9-8-21(16-31(29)45-3)34(44)38-24-10-12-41(2)13-11-24)18-30(28)42(40-20)25-15-22(14-23(35)17-25)26-6-4-5-7-27(26)33(36)43/h4-9,14-19,24H,10-13H2,1-3H3,(H2,36,43)(H,37,39)(H,38,44)","3'-Chloro-5'-{6-[2-methoxy-4-(1-methyl-piperidin-4-ylcarbamoyl)-phenylamino]-3-methyl-pyrazolo[4,3-c]pyridin-1-yl}-biphenyl-2-carboxylic acid amide","2008-06-18","2021-03-13","3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide",""],["UXH","6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide","C12 H10 Cl N5 O2","Clc3c(c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N)N;CN1C(=O)c2cc(nc3c(N)c(Cl)c(N)c1c23)C(N)=O;CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O","InChI=1S/C12H10ClN5O2/c1-18-10-5-3(12(18)20)2-4(11(16)19)17-9(5)7(14)6(13)8(10)15/h2H,14-15H2,1H3,(H2,16,19)","","2012-01-09","2012-01-13","6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide",""],["UXJ","2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline","C11 H12 F N3","n2cc(CNc1ccccc1F)c(n2)C;Cc1n[nH]cc1CNc2ccccc2F;Cc1c(c[nH]n1)CNc2ccccc2F","InChI=1S/C11H12FN3/c1-8-9(7-14-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3,(H,14,15)","","2020-06-03","2020-06-12","2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline","2020-06-17"],["4FS","quinolin-3-amine","C9 H8 N2","c2c(N)cc1ccccc1n2;Nc1cnc2ccccc2c1;c1ccc2c(c1)cc(cn2)N","InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2","","2015-03-17","2015-08-07","quinolin-3-amine","2015-08-12"],["4FT","phthalazine","C8 H6 N2","c2c1ccccc1cnn2;c1ccc2cnncc2c1;c1ccc2cnncc2c1","InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H","","2015-03-17","2015-05-01","phthalazine","2015-05-06"],["UXK","6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine","C32 H43 N7 O","CC1(C)CCN(CC1)Cc2ccc(cn2)N3CCOC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3;CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C","InChI=1S/C32H43N7O/c1-31(2)10-14-37(15-11-31)23-27-8-9-28(22-33-27)39-18-19-40-32(24-39)12-16-38(17-13-32)30-20-29(35-25-36-30)34-21-26-6-4-3-5-7-26/h3-9,20,22,25H,10-19,21,23-24H2,1-2H3,(H,34,35,36)","","2021-03-25","2021-08-27","6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-~{N}-(phenylmethyl)pyrimidin-4-amine","2021-09-01"],["UXL","7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione","C20 H26 N6 O2","CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12;CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)CC5CCC5)C(=O)NC1=O","InChI=1S/C20H26N6O2/c1-2-25-18-17(19(27)23-20(25)28)26(11-13-6-5-7-13)16(22-18)10-14-12-24-9-4-3-8-15(24)21-14/h12-13H,2-11H2,1H3,(H,23,27,28)","","2023-02-14","2024-01-05","7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione","2024-01-10"],["4FU","(1R,2S)-cyclohexane-1,2-dicarboxylic acid","C8 H12 O4","C(=O)(O)C1C(CCCC1)C(O)=O;OC(=O)[CH]1CCCC[CH]1C(O)=O;C1CCC(C(C1)C(=O)O)C(=O)O","InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+","","2015-08-04","2024-09-27","(1R,2S)-cyclohexane-1,2-dicarboxylic acid","2015-10-28"],["UXM","(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide","C22 H24 N6 O S","C(C(c1ccccc1)Sc3c(c(CC)c(c(N2CCC(CC2)N)n3)C#N)C#N)(N)=O;CCc1c(C#N)c(S[CH](C(N)=O)c2ccccc2)nc(N3CCC(N)CC3)c1C#N;CCc1c(c(nc(c1C#N)SC(c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N","InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)/t19-/m1/s1","","2020-06-03","2021-07-02","(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide","2021-07-07"],["4FV","4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide","C8 H12 N4 O3","c1(c(non1)N)C(=O)NC2CCC(C2)O;Nc1nonc1C(=O)N[CH]2CC[CH](O)C2;C1CC(CC1NC(=O)c2c(non2)N)O","InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(14)10-4-1-2-5(13)3-4/h4-5,13H,1-3H2,(H2,9,12)(H,10,14)/t4-,5+/m1/s1","","2015-03-17","2016-03-11","4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide","2016-03-16"],["UXN","4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide","C13 H17 N O4 S","CN(C1CCOCC1)[S](=O)(=O)c2ccc(C=O)cc2;CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O","InChI=1S/C13H17NO4S/c1-14(12-6-8-18-9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3","4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide","2021-03-25","2024-09-27","4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide","2021-06-09"],["4FW","4-FLUOROTRYPTOPHANE","C11 H11 F N2 O2","O=C(O)C(N)Cc2c1c(F)cccc1nc2;N[CH](Cc1c[nH]c2cccc(F)c12)C(O)=O;c1cc2c(c(c1)F)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1","","2003-12-16","2024-09-27","4-fluoro-L-tryptophan",""],["UXO","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-pent-4-ynyl-amino]methyl]oxolane-3,4-diol","C28 H33 N11 O7","Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCC#C)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;C#CCCCN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C28H33N11O7/c1-2-3-4-7-37(9-14-19(41)21(43)27(45-14)38-13-35-17-23(29)31-11-33-25(17)38)8-5-6-16-36-18-24(30)32-12-34-26(18)39(16)28-22(44)20(42)15(10-40)46-28/h1,11-15,19-22,27-28,40-44H,3-4,7-10H2,(H2,29,31,33)(H2,30,32,34)/t14-,15+,19+,20+,21+,22+,27-,28-/m0/s1","","2023-09-07","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-pent-4-ynyl-amino]methyl]oxolane-3,4-diol","2025-03-19"],["4FX","6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide","C14 H15 N3 O2","c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC;COc1ccccc1CNc2ccc(cn2)C(N)=O;COc1ccccc1CNc2ccc(cn2)C(=O)N","InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)","","2015-03-17","2016-03-11","6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide","2016-03-16"],["UXP","[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol","C17 H22 N8 O","C1CC1c2cc(nn2)Nc4nc(nc3c4cnn3)N5C(CO)CCCC5;OC[CH]1CCCCN1c2nc(Nc3cc([nH]n3)C4CC4)c5c[nH]nc5n2;c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCCC4CO)C5CC5","InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)/t11-/m1/s1","","2020-06-03","2020-08-28","[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol","2020-09-02"],["4FY","4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID","C15 H15 N3 O4","O=C(c2nc(c1ccccc1)nc2C(=O)O)N3CCOCC3;OC(=O)c1[nH]c(nc1C(=O)N2CCOCC2)c3ccccc3;c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O","InChI=1S/C15H15N3O4/c19-14(18-6-8-22-9-7-18)11-12(15(20)21)17-13(16-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)(H,20,21)","","2010-08-25","2011-06-04","4-(morpholin-4-ylcarbonyl)-2-phenyl-1H-imidazole-5-carboxylic acid",""],["4FZ","4-formylbenzenecarboximidamide","C8 H8 N2 O","NC(=N)c1ccc(C=O)cc1;c1cc(ccc1C=O)C(=N)N","InChI=1S/C8H8N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5H,(H3,9,10)","4-formylbenzimidamide","2009-11-19","2021-03-01","4-methanoylbenzenecarboximidamide",""],["UXQ","(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid","C12 H15 Cl N2 O3","N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)CNC(=O)CCl","InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1","","2021-03-26","2024-09-27","(2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid","2021-10-13"],["UXR","(2S)-2-phosphonopropanoic acid","C3 H7 O5 P","O=C(O)C(C)P(=O)(O)O;C[CH](C(O)=O)[P](O)(O)=O;CC(C(=O)O)P(=O)(O)O","InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1","","2022-08-28","2023-06-09","(2S)-2-phosphonopropanoic acid","2023-06-14"],["4G0","6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide","C15 H18 N4 O","c1cc(cc(c1)N(C)C)CNc2ccc(cn2)C(=O)N;CN(C)c1cccc(CNc2ccc(cn2)C(N)=O)c1;CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N","InChI=1S/C15H18N4O/c1-19(2)13-5-3-4-11(8-13)9-17-14-7-6-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)","","2015-03-17","2016-03-11","6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide","2016-03-16"],["4G1","N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide","C22 H23 N3 O3","c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O;Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34;Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4","InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)","","2015-03-17","2016-03-11","N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide","2016-03-16"],["UXS","(2S)-2-amino-4-(methylsulfanyl)butan-1-ol","C5 H13 N O S","C(C(N)CCSC)O;CSCC[CH](N)CO;CSCCC(CO)N","InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1","","2020-06-04","2024-09-27","(2S)-2-amino-4-(methylsulfanyl)butan-1-ol","2020-06-17"],["4G2","2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID","C11 H9 Cl N2 O2","Clc1cccc(c1)c2nc(c(n2)C)C(=O)O;Cc1[nH]c(nc1C(O)=O)c2cccc(Cl)c2;Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O","InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16)","","2010-08-25","2011-06-04","2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid",""],["UXT","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C33 H43 N7 O","CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3;CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C","InChI=1S/C33H43N7O/c1-32(2)12-16-38(17-13-32)22-27-8-10-28(11-9-27)40-23-31(41)37-33(24-40)14-18-39(19-15-33)30-20-29(35-25-36-30)34-21-26-6-4-3-5-7-26/h3-11,20,25H,12-19,21-24H2,1-2H3,(H,37,41)(H,34,35,36)","","2021-03-26","2021-09-10","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-15"],["4G3","6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide","C13 H13 N3 O2","c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N;NC(=O)c1ccc(NCc2cccc(O)c2)nc1;c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N","InChI=1S/C13H13N3O2/c14-13(18)10-4-5-12(16-8-10)15-7-9-2-1-3-11(17)6-9/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)","","2015-03-17","2016-03-11","6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide","2016-03-16"],["UXU","(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol","C14 H10 F4 O3 S2","C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3;CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CC(C2O)(F)F","InChI=1S/C14H10F4O3S2/c1-23(20,21)13-10-9(5-14(17,18)12(10)19)11(22-13)6-2-7(15)4-8(16)3-6/h2-4,12,19H,5H2,1H3/t12-/m0/s1","","2023-02-15","2023-07-14","(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol","2023-07-19"],["UXW","4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C32 H42 N8 O","CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3;CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C","InChI=1S/C32H42N8O/c1-31(2)10-14-38(15-11-31)21-26-8-9-27(20-33-26)40-22-30(41)37-32(23-40)12-16-39(17-13-32)29-18-28(35-24-36-29)34-19-25-6-4-3-5-7-25/h3-9,18,20,24H,10-17,19,21-23H2,1-2H3,(H,37,41)(H,34,35,36)","","2021-03-26","2021-08-27","4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-01"],["4G4","6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide","C15 H18 N4 O","c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N(C)C;CN(C)c1ccccc1CNc2ccc(cn2)C(N)=O;CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N","InChI=1S/C15H18N4O/c1-19(2)13-6-4-3-5-11(13)9-17-14-8-7-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)","","2015-03-17","2016-03-11","6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide","2016-03-16"],["4G5","4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid","C14 H14 N4 O4","O=C(N)CN(C(=O)c2nc(c1ccccc1)nc2C(=O)O)C;CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)c2ccccc2;CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O","InChI=1S/C14H14N4O4/c1-18(7-9(15)19)13(20)10-11(14(21)22)17-12(16-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,19)(H,16,17)(H,21,22)","","2010-08-25","2011-06-04","4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid",""],["UXX","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","C31 H39 N13 O7","CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(CCCC#C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CCNC(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#CCN(CCCC#C)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C31H39N13O7/c1-3-5-6-9-42(12-17-22(46)23(47)29(51-17)43-15-40-19-25(32)36-13-38-27(19)43)10-7-8-18-41-20-26(33)37-14-39-28(20)44(18)30-24(48)21(45)16(50-30)11-35-31(49)34-4-2/h1,13-17,21-24,29-30,45-48H,4-6,9-12H2,2H3,(H2,32,36,38)(H2,33,37,39)(H2,34,35,49)/t16-,17-,21-,22-,23-,24-,29-,30-/m1/s1","","2023-09-07","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","2025-03-19"],["4G6","2-methylpropane-1,2-diamine","C4 H12 N2","CC(C)(N)CN;CC(C)(N)CN;CC(C)(CN)N","InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3","","2015-08-04","2024-09-27","2-methylpropane-1,2-diamine","2015-10-28"],["UXY","(4R)-4-hydroxy-L-lysine","C6 H14 N2 O3","NC(C(O)=O)CC(CCN)O;NCC[CH](O)C[CH](N)C(O)=O;C(CN)C(CC(C(=O)O)N)O","InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1","","2020-06-04","2024-09-27","(4R)-4-hydroxy-L-lysine","2020-10-07"],["4G7","3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid","C17 H14 F N O6","C(NC(c1c(OCC(O)=O)cc(cc1)F)=O)c2cc(C(O)=O)ccc2;OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)C(O)=O;c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F","InChI=1S/C17H14FNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)","","2015-03-17","2016-03-18","3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid","2016-03-23"],["UXZ","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C27 H39 N7 O","CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4;CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C","InChI=1S/C27H39N7O/c1-26(2)8-12-32(13-9-26)17-21-4-6-22(7-5-21)34-18-25(35)31-27(19-34)10-14-33(15-11-27)24-16-23(28-3)29-20-30-24/h4-7,16,20H,8-15,17-19H2,1-3H3,(H,31,35)(H,28,29,30)","","2021-03-26","2021-09-10","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-15"],["UY0","N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide","C27 H35 Cl N6 O3 S","CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(OCCN2CCCC2)cc1;Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)OCCN4CCCC4","InChI=1S/C27H35ClN6O3S/c1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4/h7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32)","","2022-08-29","2022-09-02","N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide","2022-09-07"],["4G8","4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID","C20 H17 N3 O5","O=C(O)CN(C(=O)c2nc(c1ccccc1)nc2C(=O)O)Cc3ccccc3;OC(=O)CN(Cc1ccccc1)C(=O)c2nc([nH]c2C(O)=O)c3ccccc3;c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O","InChI=1S/C20H17N3O5/c24-15(25)12-23(11-13-7-3-1-4-8-13)19(26)16-17(20(27)28)22-18(21-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,21,22)(H,24,25)(H,27,28)","","2010-08-25","2011-06-04","4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid",""],["4G9","2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide","C10 H12 Cl2 N2 O3 S","Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O;CN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl;CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl","InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)","","2015-03-17","2024-09-27","2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide","2016-10-12"],["UY1","2'-O-methylpseudouridine-5'-monophosphate","C10 H15 N2 O9 P","C1(C(OC)C(O)C(O1)COP(=O)(O)O)C2C(=O)NC(N=C2)=O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1C2=CNC(=O)NC2=O;COC1C(C(OC1C2=CNC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H15N2O9P/c1-19-8-6(13)5(3-20-22(16,17)18)21-7(8)4-2-11-10(15)12-9(4)14/h2,5-8,13H,3H2,1H3,(H2,16,17,18)(H2,11,12,14,15)/t5-,6-,7+,8-/m1/s1","","2020-06-04","2021-05-27","(1S)-1,4-anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-5-yl]-2-O-methyl-5-O-phosphono-D-ribitol","2020-10-07"],["UY2","3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one","C26 H37 N7 O","CNc1cc(ncn1)N2CCC3(CC2)CN(C(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4;CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C","InChI=1S/C26H37N7O/c1-25(2)8-12-31(13-9-25)17-20-4-6-21(7-5-20)33-18-26(30-24(33)34)10-14-32(15-11-26)23-16-22(27-3)28-19-29-23/h4-7,16,19H,8-15,17-18H2,1-3H3,(H,30,34)(H,27,28,29)","","2021-03-26","2021-09-10","3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one","2021-09-15"],["4GA","1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium","C9 H19 N2 O7 P2","O=P(O)(O)C(O)(P(=O)(O)O)C[n+]1ccn(c1)CCCC;CCCCn1cc[n+](CC(O)([P](O)(O)=O)[P](O)(O)=O)c1;CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C9H18N2O7P2/c1-2-3-4-10-5-6-11(8-10)7-9(12,19(13,14)15)20(16,17)18/h5-6,8,12H,2-4,7H2,1H3,(H3-,13,14,15,16,17,18)/p+1","","2012-08-06","2013-05-03","1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium","2013-05-08"],["4GB","N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide","C17 H26 N2 O4 S2","O=S(c1ccc(OCSCC)c(c1)NC(=O)C)(=O)N2CCCCCC2;CCSCOc1ccc(cc1NC(C)=O)[S](=O)(=O)N2CCCCCC2;CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2","InChI=1S/C17H26N2O4S2/c1-3-24-13-23-17-9-8-15(12-16(17)18-14(2)20)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)","","2015-03-17","2024-09-27","N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide","2016-10-12"],["UY3","(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol","C15 H12 F4 O3 S2","C[S](=O)(=O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3;CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CCC(C2O)(F)F","InChI=1S/C15H12F4O3S2/c1-24(21,22)14-11-10(2-3-15(18,19)13(11)20)12(23-14)7-4-8(16)6-9(17)5-7/h4-6,13,20H,2-3H2,1H3/t13-/m0/s1","","2023-02-15","2023-07-14","(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol","2023-07-19"],["UY4","(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid","C15 H21 N6 O11 P","c23n(C1OC(C(C1O)O)COP(O)(=O)O)cnc2c(ncn3)NC(NC(C(=O)O)C(C)O)=O;C[CH](O)[CH](NC(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(O)=O;CC(C(C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)O","InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6+,7-,9+,10+,13+/m0/s1","","2020-06-04","2020-10-02","(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)","2020-10-07"],["4GC","Beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose","C24 H42 O21","O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O)O[CH]4CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O","InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+/m1/s1","","2008-11-11","2020-08-19","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["UY5","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C29 H43 N7 O","CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4;CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C","InChI=1S/C29H43N7O/c1-22(2)32-25-17-26(31-21-30-25)35-15-11-29(12-16-35)20-36(19-27(37)33-29)24-7-5-23(6-8-24)18-34-13-9-28(3,4)10-14-34/h5-8,17,21-22H,9-16,18-20H2,1-4H3,(H,33,37)(H,30,31,32)","","2021-03-26","2021-09-10","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-15"],["4GD","N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C17 H14 N6 O","N(c1n(nc(c1)C)c2ccccc2)C(=O)c3cnn4c3nccc4;Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4;Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4","InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24)","","2015-03-17","2015-05-15","N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2015-05-20"],["4GE","5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID","C19 H16 Cl N3 O3","Clc1cccc(c1)c2nc(c(n2)C(=O)N(Cc3ccccc3)C)C(=O)O;CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3;CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O","InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26)","","2010-08-25","2011-06-04","5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1H-imidazole-4-carboxylic acid",""],["UY6","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol","C26 H27 N11 O3","CN(CC#Cc1nc2c(N)ncnc2n1Cc3ccccc3)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CN(CC#Cc1nc2c(ncnc2n1Cc3ccccc3)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C26H27N11O3/c1-35(11-16-20(38)21(39)26(40-16)37-14-33-18-22(27)29-12-31-24(18)37)9-5-8-17-34-19-23(28)30-13-32-25(19)36(17)10-15-6-3-2-4-7-15/h2-4,6-7,12-14,16,20-21,26,38-39H,9-11H2,1H3,(H2,27,29,31)(H2,28,30,32)/t16-,20-,21-,26-/m1/s1","","2023-09-07","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol","2025-03-19"],["4GF","N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","C27 H30 F N7 O","N(c1n(nc(c1)C2CCN(C(C)C)CC2)c3c(F)cc(cc3)C4CC4)C(=O)c5cnn6c5nccc6;CC(C)N1CCC(CC1)c2cc(NC(=O)c3cnn4cccnc34)n(n2)c5ccc(cc5F)C6CC6;CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6","InChI=1S/C27H30FN7O/c1-17(2)33-12-8-19(9-13-33)23-15-25(31-27(36)21-16-30-34-11-3-10-29-26(21)34)35(32-23)24-7-6-20(14-22(24)28)18-4-5-18/h3,6-7,10-11,14-19H,4-5,8-9,12-13H2,1-2H3,(H,31,36)","","2015-03-17","2015-05-15","N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide","2015-05-20"],["UY7","(4S)-4-hydroxy-D-proline","C5 H9 N O3","C1C(O)CNC1C(O)=O;O[CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)O","InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1","","2020-06-04","2024-09-27","(4S)-4-hydroxy-D-proline","2020-12-30"],["UY9","6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide","C31 H28 F3 N7 O2","FC(F)(F)c1nn(C)cc1c1cc(Cn2ccnc2)cc2C(=O)N(CCc12)c1ccnc2c1cc(CC)cc2C(=O)NC;CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4c6cn(C)nc6C(F)(F)F)C3=O)c2c1;CCc1cc2c(ccnc2c(c1)C(=O)NC)N3CCc4c(cc(cc4C3=O)Cn5ccnc5)c6cn(nc6C(F)(F)F)C","InChI=1S/C31H28F3N7O2/c1-4-18-11-23-26(5-7-37-27(23)24(12-18)29(42)35-2)41-9-6-20-21(25-16-39(3)38-28(25)31(32,33)34)13-19(14-22(20)30(41)43)15-40-10-8-36-17-40/h5,7-8,10-14,16-17H,4,6,9,15H2,1-3H3,(H,35,42)","","2022-08-29","2023-01-06","6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide","2023-01-11"],["4GG","2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide","C15 H19 N3 O S","O=C(CSCC)N(C)Cc1cn(nc1)c2ccccc2;CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2;CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2","InChI=1S/C15H19N3OS/c1-3-20-12-15(19)17(2)10-13-9-16-18(11-13)14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3","","2015-03-17","2024-09-27","2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide","2016-10-12"],["4GH","N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide","C50 H99 N O7","O=C(NC(COC1OC(CC(O)C1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)C[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(CC(O1)CO)O)O)C(CCCCCCCCCCCCCCC)O","InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(55)51-45(43-57-50-49(56)47(54)41-44(42-52)58-50)46(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-47,49-50,52-54,56H,3-43H2,1-2H3,(H,51,55)/t44-,45-,46+,47-,49+,50-/m0/s1","","2010-12-06","2011-06-04","N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide",""],["UYA","(4R)-4-hydroxy-D-proline","C5 H9 N O3","N1CC(CC1C(O)=O)O;O[CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)O","InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1","","2020-06-04","2024-09-27","(4R)-4-hydroxy-D-proline","2020-12-30"],["4GI","3-(pyridin-3-yl)propyl (2S)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate","C20 H23 N3 O6 S","c3cc(S(N1C(CCCC1)C(=O)OCCCc2cccnc2)(=O)=O)cc(c3)[N+]([O-])=O;[O-][N+](=O)c1cccc(c1)[S](=O)(=O)N2CCCC[CH]2C(=O)OCCCc3cccnc3;c1cc(cc(c1)S(=O)(=O)N2CCCCC2C(=O)OCCCc3cccnc3)[N+](=O)[O-]","InChI=1S/C20H23N3O6S/c24-20(29-13-5-7-16-6-4-11-21-15-16)19-10-1-2-12-22(19)30(27,28)18-9-3-8-17(14-18)23(25)26/h3-4,6,8-9,11,14-15,19H,1-2,5,7,10,12-13H2/t19-/m0/s1","","2012-08-17","2017-07-05","3-(pyridin-3-yl)propyl (2S)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate","2012-08-31"],["UYC","3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H38 N4 O6","CCC1=C(C)C(NC1=O)=Cc2[nH]c(C=C3N=C(C=C4NC(=O)[CH](C)C4=CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C","InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,34H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,29-15-/t19-/m1/s1","","2021-02-18","2021-08-20","3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2021-08-25"],["4GJ","3-(pyridin-4-yldisulfanyl)-L-alanine","C8 H10 N2 O2 S2","n1ccc(SSCC(N)C(O)=O)cc1;N[CH](CSSc1ccncc1)C(O)=O;c1cnccc1SSCC(C(=O)O)N","InChI=1S/C8H10N2O2S2/c9-7(8(11)12)5-13-14-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1","","2015-03-17","2024-09-27","3-(pyridin-4-yldisulfanyl)-L-alanine","2015-07-15"],["UYD","(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol","C21 H26 N8 O","C(Nc3nc(Nc1nn(C)c(c1)C(C)(C)C)c2c(nnc2)n3)(CO)c4ccccc4;Cn1nc(Nc2nc(N[CH](CO)c3ccccc3)nc4[nH]ncc24)cc1C(C)(C)C;CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)NC(CO)c4ccccc4","InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1","","2020-06-04","2020-08-28","(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol","2020-09-02"],["UYF","(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol","C14 H18 F2 O4 S2","C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13;CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC(C2O)(F)F","InChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1","","2023-02-15","2023-07-14","(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol","2023-07-19"],["4GK","2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline","C20 H19 N7","Cn3c2ccc1ncccc1c2nc3CCc4nc5n(n4)c(C)cnc5C;Cn1c(CCc2nn3c(C)cnc(C)c3n2)nc4c1ccc5ncccc45;Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C","InChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3","","2015-03-17","2015-04-24","2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline","2015-04-29"],["UYG","(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione","C16 H19 N3 O2","c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23;CC(C)[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O;CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3","InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1","","2020-06-05","2021-06-04","(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione","2021-06-09"],["4GL","alpha-D-gulopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6+/m1/s1","alpha-D-gulose; D-gulose; gulose","2011-08-18","2020-07-17","alpha-D-gulopyranose","2020-07-29"],["4GM","6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide","C13 H13 N3 O2","c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)O;NC(=O)c1ccc(NCc2ccccc2O)nc1;c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O","InChI=1S/C13H13N3O2/c14-13(18)10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)17/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)","","2015-03-17","2016-03-11","6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide","2016-03-16"],["UYH","[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate","C45 H86 O10","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42-,43+,44-,45-/m1/s1","","2021-03-29","2022-02-25","[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate","2022-03-02"],["4GN","6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide","C12 H17 N3 O","c1c(cnc(c1)NCC2CCCC2)C(N)=O;NC(=O)c1ccc(NCC2CCCC2)nc1;c1cc(ncc1C(=O)N)NCC2CCCC2","InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15)","","2015-03-17","2016-03-11","6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide","2016-03-16"],["UYI","Anamorelin","C31 H42 N6 O3","CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccccc4;CC(C)(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)N3CCCC(C3)(Cc4ccccc4)C(=O)N(C)N(C)C)N","InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1","2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide; DB06645","2023-06-27","2025-11-19","2-azanyl-~{N}-[(2~{R})-1-[(3~{R})-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide","2025-01-22"],["UYK","(R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole","C25 H30 N4 O4","COC[CH](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4c(C)onc4C)C5CCOCC5;Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)COC)C5CCOCC5","InChI=1S/C25H30N4O4/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17/h10-12,14,17H,6-9,13H2,1-5H3/t14-/m1/s1","4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole; 4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","2021-03-29","2021-10-08","4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","2021-10-13"],["4GO","6-(cyclopentylamino)pyridine-3-carboxamide","C11 H15 N3 O","c1c(cnc(c1)NC2CCCC2)C(=O)N;NC(=O)c1ccc(NC2CCCC2)nc1;c1cc(ncc1C(=O)N)NC2CCCC2","InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)","","2015-03-17","2016-03-11","6-(cyclopentylamino)pyridine-3-carboxamide","2016-03-16"],["4GP","N-(carboxycarbonyl)-beta-D-glucopyranosylamine","C8 H13 N O8","O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)O;OC[CH]1O[CH](NC(=O)C(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)NC(=O)C(=O)O)O)O)O)O","InChI=1S/C8H13NO8/c10-1-2-3(11)4(12)5(13)7(17-2)9-6(14)8(15)16/h2-5,7,10-13H,1H2,(H,9,14)(H,15,16)/t2-,3-,4+,5-,7-/m1/s1","N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID; N-(carboxycarbonyl)-beta-D-glucosylamine; N-(carboxycarbonyl)-D-glucosylamine;\nN-(carboxycarbonyl)-glucosylamine","2006-01-24","2020-07-17","N-(carboxycarbonyl)-beta-D-glucopyranosylamine",""],["UYL","(5R)-2,7-diazaspiro[4.5]dec-1-en-3-one","C8 H12 N2 O","O=C1N=CC2(C1)CCCNC2;O=C1C[C]2(CCCNC2)C=N1;C1CC2(CC(=O)N=C2)CNC1","InChI=1S/C8H12N2O/c11-7-4-8(6-10-7)2-1-3-9-5-8/h6,9H,1-5H2/t8-/m1/s1","","2022-08-29","2022-10-28","(5R)-2,7-diazaspiro[4.5]dec-1-en-3-one","2022-11-02"],["UYM","(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione","C22 H20 N4 O2","n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5;O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N[CH]1Cc4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)N3)Cc4c[nH]c5c4cccc5","InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1","","2020-06-05","2021-06-04","(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione","2021-06-09"],["4GQ","N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide","C29 H38 Cl2 N4 O4","c1c4c(c(cc1)C(CNCCN(C2CCCCC2)C(CCNCCc3cc(c(cc3)Cl)Cl)=O)O)OCC(=O)N4;O[CH](CNCCN(C1CCCCC1)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c3cccc4NC(=O)COc34;c1cc(c2c(c1)NC(=O)CO2)C(CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O","InChI=1S/C29H38Cl2N4O4/c30-23-10-9-20(17-24(23)31)11-13-32-14-12-28(38)35(21-5-2-1-3-6-21)16-15-33-18-26(36)22-7-4-8-25-29(22)39-19-27(37)34-25/h4,7-10,17,21,26,32-33,36H,1-3,5-6,11-16,18-19H2,(H,34,37)/t26-/m0/s1","","2015-03-17","2015-05-15","N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide","2015-05-20"],["UYN","[[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium","C12 H21 N9","CC(=NNC(N)=[NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+];CC(=NNC(=[NH2+])N)c1cc(cc(c1)N)C(=NNC(=[NH2+])N)C","InChI=1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/p+2/b18-6+,19-7+","BEV241","2021-03-30","2021-08-27","[[(2~{E})-2-[1-[3-[(~{E})-~{N}-[[azaniumylidene(azanyl)methyl]amino]-~{C}-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium","2021-09-01"],["4GR","methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate","C29 H24 Cl2 N8 O3","C(=O)(C=Cc1c(ccc(c1)Cl)n2cnnn2)NC(c3nc(c(Cl)n3)c4ccc(cc4)NC(OC)=O)Cc5ccccc5;COC(=O)Nc1ccc(cc1)c2[nH]c(nc2Cl)[CH](Cc3ccccc3)NC(=O)C=Cc4cc(Cl)ccc4n5cnnn5;COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)C(Cc3ccccc3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)Cl","InChI=1S/C29H24Cl2N8O3/c1-42-29(41)33-22-11-7-19(8-12-22)26-27(31)36-28(35-26)23(15-18-5-3-2-4-6-18)34-25(40)14-9-20-16-21(30)10-13-24(20)39-17-32-37-38-39/h2-14,16-17,23H,15H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1","","2015-03-18","2015-05-22","methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate","2015-05-27"],["UYO","(1S,3R,5Z,7E,13xi)-25-nitro-9,10-secocholesta-5,7,10-triene-1,3-diol","C27 H43 N O4","C=C1C(/CC(O)CC1O)=CC=C1/CCCC2(C)C(CCC12)C(C)CCCC(C)(C)[N+]([O-])=O;C[CH](CCCC(C)(C)[N+]([O-])=O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CCCC(C)(C)[N+](=O)[O-])C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C27H43NO4/c1-18(8-6-14-26(3,4)28(31)32)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1","25-nitro derivative of 1,25D3","2023-02-15","2026-04-06","(1S,3R,5Z,7E,13xi)-25-nitro-9,10-secocholesta-5,7,10-triene-1,3-diol","2023-04-26"],["4GS","4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide","C8 H13 N5 O2","c1(c(non1)N)C(=O)NC2CCNCC2;Nc1nonc1C(=O)NC2CCNCC2;C1CNCCC1NC(=O)c2c(non2)N","InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)","","2015-03-18","2016-03-11","4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide","2016-03-16"],["UYP","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-phenyl-urea","C31 H35 N13 O7","CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)Nc4ccccc4)[CH](O)[CH]3O)C[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67;CN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CNC(=O)Nc4ccccc4)O)O)N)CC5C(C(C(O5)n6cnc7c6ncnc7N)O)O","InChI=1S/C31H35N13O7/c1-42(11-17-22(46)23(47)29(51-17)43-14-39-19-25(32)35-12-37-27(19)43)9-5-8-18-41-20-26(33)36-13-38-28(20)44(18)30-24(48)21(45)16(50-30)10-34-31(49)40-15-6-3-2-4-7-15/h2-4,6-7,12-14,16-17,21-24,29-30,45-48H,9-11H2,1H3,(H2,32,35,37)(H2,33,36,38)(H2,34,40,49)/t16-,17-,21-,22-,23-,24-,29-,30-/m1/s1","","2023-09-07","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-phenyl-urea","2025-03-19"],["4GT","4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide","C10 H15 N5 O","c1c(C(N)=O)c(nc(n1)NC2CCCC2)N;NC(=O)c1cnc(NC2CCCC2)nc1N;c1c(c(nc(n1)NC2CCCC2)N)C(=O)N","InChI=1S/C10H15N5O/c11-8-7(9(12)16)5-13-10(15-8)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,16)(H3,11,13,14,15)","","2015-03-18","2016-03-11","4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide","2016-03-16"],["4GU","N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C11 H8 F N5","Fc1ccccc1Nc2ncnc3c2cnn3;Fc1ccccc1Nc2ncnc3[nH]ncc23;c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F","InChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17)","","2012-09-10","2013-08-30","N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2013-09-04"],["UYQ","[[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium","C10 H16 N8","NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+];c1cc(ccc1C=NNC(=[NH2+])N)C=NNC(=[NH2+])N","InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+","","2021-03-30","2021-08-27","[[(2~{E})-2-[[4-[(~{E})-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium","2021-09-01"],["4GW","5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)","C14 H16 N2 O13 P2 S","O=Cc3sc(C=1C(=O)NC(=O)N(C=1)C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)cc3;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3sc(C=O)cc3;c1cc(sc1C=O)C2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C14H16N2O13P2S/c17-4-6-1-2-9(32-6)7-3-16(14(21)15-12(7)20)13-11(19)10(18)8(28-13)5-27-31(25,26)29-30(22,23)24/h1-4,8,10-11,13,18-19H,5H2,(H,25,26)(H,15,20,21)(H2,22,23,24)/t8-,10-,11-,13-/m1/s1","","2012-01-13","2013-01-18","5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)","2013-01-18"],["UYR","(2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide","C8 H6 N2 O S","O=C(N)C(=C/c1ccsc1)/C#N;NC(=O)C(=Cc1cscc1)C#N;c1cscc1C=C(C#N)C(=O)N","InChI=1S/C8H6N2OS/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H2,10,11)/b7-3+","","2022-08-29","2022-10-28","(2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide","2022-11-02"],["UYS","3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide","C16 H17 N7 O","c1(c(N(C)C)nc(N)c(n1)C(N=C(/N)N)=O)C#Cc2ccccc2;CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(=O)N=C(N)N;CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2","InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24)","","2020-06-08","2020-08-28","3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide","2020-09-02"],["4GX","(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone","C13 H16 N6 O2","n3c(c(C(N1CCN(CC1)Cc2ccccn2)=O)no3)N;Nc1nonc1C(=O)N2CCN(CC2)Cc3ccccn3;c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N","InChI=1S/C13H16N6O2/c14-12-11(16-21-17-12)13(20)19-7-5-18(6-8-19)9-10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17)","","2015-03-18","2016-03-11","(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone","2016-03-16"],["4GY","4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide","C10 H16 N4 O2","Nc1nonc1C(=O)NCC2CCCCC2;Nc1nonc1C(=O)NCC2CCCCC2;C1CCC(CC1)CNC(=O)c2c(non2)N","InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)","","2015-03-18","2016-03-11","4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide","2016-03-16"],["UYT","[azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium","C9 H13 N4","CC(=NNC(N)=[NH2+])c1ccccc1;CC(=NNC(=[NH2+])N)c1ccccc1","InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+","Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium; 7377553","2021-03-30","2021-08-27","[azanyl-[(2~{E})-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium","2021-09-01"],["4GZ","6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide","C23 H30 N4 O2","c1cc(cc(c1)C(NCCC2(CCCCC2)CNc3ccc(cn3)C(N)=O)=O)C;Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(N)=O;Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N","InChI=1S/C23H30N4O2/c1-17-6-5-7-18(14-17)22(29)25-13-12-23(10-3-2-4-11-23)16-27-20-9-8-19(15-26-20)21(24)28/h5-9,14-15H,2-4,10-13,16H2,1H3,(H2,24,28)(H,25,29)(H,26,27)","","2015-03-18","2015-11-06","6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide","2015-11-11"],["UYU","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C27 H45 N O2","C[CH](CCCC(C)(C)N)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CCCC(C)(C)N)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C27H45NO2/c1-18(8-6-14-26(3,4)28)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17,28H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1","","2023-02-15","2023-04-21","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-6-azanyl-6-methyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2023-04-26"],["4H0","(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid","C11 H9 F4 N O4","O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N;N[CH](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F;c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F","InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1","","2012-12-13","2024-09-27","(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid","2013-03-20"],["UYW","[azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium","C15 H16 Cl N4 O","NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2;c1ccc(c(c1)C=NNC(=[NH2+])N)OCc2ccc(cc2)Cl","InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+","","2021-03-30","2021-08-27","[azanyl-[(2~{E})-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium","2021-09-01"],["UYX","3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione","C22 H22 F N3 O3","Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O;c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F","InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)","","2023-06-27","2023-11-24","3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione","2023-11-29"],["4H1","6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide","C14 H22 N4 O","c1c(cnc(c1)NCC2CCCC(C2)CN)C(N)=O;NC[CH]1CCC[CH](CNc2ccc(cn2)C(N)=O)C1;c1cc(ncc1C(=O)N)NCC2CCCC(C2)CN","InChI=1S/C14H22N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h4-5,9-11H,1-3,6-8,15H2,(H2,16,19)(H,17,18)/t10-,11+/m0/s1","","2015-03-18","2016-03-11","6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide","2016-03-16"],["UYY","2-methoxybenzamide","C8 H9 N O2","COc1ccccc1C(N)=O;COc1ccccc1C(N)=O;COc1ccccc1C(=O)N","InChI=1S/C8H9NO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)","","2022-08-29","2022-10-28","2-methoxybenzamide","2022-11-02"],["4H2","4-methylpyridine-2(1H)-thione","C6 H7 N S","S=C1C=C(C=CN1)C;CC1=CC(=S)NC=C1;CC1=CC(=S)NC=C1","InChI=1S/C6H7NS/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)","","2014-04-29","2015-03-06","4-methylpyridine-2(1H)-thione","2015-03-11"],["4H3","6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide","C12 H17 N3 O3","c1c(cnc(c1)NC2CC(C(C2)O)CO)C(N)=O;NC(=O)c1ccc(N[CH]2C[CH](O)[CH](CO)C2)nc1;c1cc(ncc1C(=O)N)NC2CC(C(C2)O)CO","InChI=1S/C12H17N3O3/c13-12(18)7-1-2-11(14-5-7)15-9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H2,13,18)(H,14,15)/t8-,9-,10+/m1/s1","","2015-03-18","2016-03-11","6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide","2016-03-16"],["UYZ","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one","C28 H37 N7 O","CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5ncnc6[nH]ccc56)C3;CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C","InChI=1S/C28H37N7O/c1-27(2)8-13-33(14-9-27)17-21-3-5-22(6-4-21)35-18-24(36)32-28(19-35)10-15-34(16-11-28)26-23-7-12-29-25(23)30-20-31-26/h3-7,12,20H,8-11,13-19H2,1-2H3,(H,32,36)(H,29,30,31)","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one","2021-03-30","2021-09-10","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-15"],["4H4","4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide","C12 H13 N5 O4 S","c1c(ccc(c1)S(N)(=O)=O)C2CC2NC(c3c(N)non3)=O;Nc1nonc1C(=O)N[CH]2C[CH]2c3ccc(cc3)[S](N)(=O)=O;c1cc(ccc1C2CC2NC(=O)c3c(non3)N)S(=O)(=O)N","InChI=1S/C12H13N5O4S/c13-11-10(16-21-17-11)12(18)15-9-5-8(9)6-1-3-7(4-2-6)22(14,19)20/h1-4,8-9H,5H2,(H2,13,17)(H,15,18)(H2,14,19,20)/t8-,9+/m1/s1","","2015-03-18","2016-03-11","4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide","2016-03-16"],["UZ0","2'-azido-2'-deoxyuridine","C9 H11 N5 O5","N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO;OC[CH]1O[CH]([CH](N=[N+]=[N-])[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]","InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1","","2019-01-21","2019-11-22","2'-azido-2'-deoxyuridine","2019-11-27"],["UZ1","cyclopropanamine","C3 H7 N","NC1CC1;NC1CC1;C1CC1N","InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2","","2020-06-08","2024-09-27","cyclopropanamine","2020-06-17"],["4H5","(1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile","C14 H10 Cl N3 O","c21ccc(cc1n(c3c2ccnc3Cl)CC#N)OC;COc1ccc2c(c1)n(CC#N)c3c(Cl)nccc23;COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl","InChI=1S/C14H10ClN3O/c1-19-9-2-3-10-11-4-6-17-14(15)13(11)18(7-5-16)12(10)8-9/h2-4,6,8H,7H2,1H3","","2015-03-18","2015-03-20","(1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile","2015-03-25"],["4H6","6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide","C17 H20 N4 O2","c2cc(CNc1ccc(cn1)C(N)=O)c(cc2)N3CCOCC3;NC(=O)c1ccc(NCc2ccccc2N3CCOCC3)nc1;c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3","InChI=1S/C17H20N4O2/c18-17(22)14-5-6-16(20-12-14)19-11-13-3-1-2-4-15(13)21-7-9-23-10-8-21/h1-6,12H,7-11H2,(H2,18,22)(H,19,20)","","2015-03-19","2016-03-11","6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide","2016-03-16"],["UZ2","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C28 H41 N7 O","CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3C)c4ccc(CN5CCC(C)(C)CC5)cc4;CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C","InChI=1S/C28H41N7O/c1-27(2)9-13-33(14-10-27)18-22-5-7-23(8-6-22)35-19-26(36)32(4)28(20-35)11-15-34(16-12-28)25-17-24(29-3)30-21-31-25/h5-8,17,21H,9-16,18-20H2,1-4H3,(H,29,30,31)","","2021-03-30","2021-09-10","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-15"],["UZ3","2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide","C15 H13 Cl2 N3 O3","COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1;COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N","InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22)","","2023-02-15","2024-02-23","2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide","2024-02-28"],["4H7","6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide","C18 H23 N5 O","c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N3CCN(CC3)C;CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(N)=O;CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N","InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)16-5-3-2-4-14(16)12-20-17-7-6-15(13-21-17)18(19)24/h2-7,13H,8-12H2,1H3,(H2,19,24)(H,20,21)","","2015-03-19","2016-03-11","6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide","2016-03-16"],["4H8","4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide","C10 H17 N5 O","CC(CNc1ncc(C(N)=O)c(n1)N)(C)C;CC(C)(C)CNc1ncc(C(N)=O)c(N)n1;CC(C)(C)CNc1ncc(c(n1)N)C(=O)N","InChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15)","","2015-03-19","2016-03-11","4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide","2016-03-16"],["UZ4","(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid","C8 H14 N2 O4","NC(C(O)C(O)=O)CC1CCNC1=O;N[CH](C[CH]1CCNC1=O)[CH](O)C(O)=O;C1CNC(=O)C1CC(C(C(=O)O)O)N","InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1","","2020-06-08","2024-09-27","(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid","2020-06-17"],["UZ5","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C27 H37 F2 N7 O","CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)(C)CC5)cc4F;CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C","InChI=1S/C27H37F2N7O/c1-26(2)4-8-34(9-5-26)15-19-12-21(29)22(13-20(19)28)36-16-25(37)33-27(17-36)6-10-35(11-7-27)24-14-23(30-3)31-18-32-24/h12-14,18H,4-11,15-17H2,1-3H3,(H,33,37)(H,30,31,32)","","2021-03-30","2021-08-27","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-01"],["4H9","(5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone","C10 H10 N4 O2","c2cc(C(n1ncnc1N)=O)ccc2OC;COc1ccc(cc1)C(=O)n2ncnc2N;COc1ccc(cc1)C(=O)n2c(ncn2)N","InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13)","","2015-03-19","2016-03-11","(5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone","2016-03-16"],["UZ6","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","C29 H40 N14 O7","CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(CCCN)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CCNC(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#CCN(CCCN)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C29H40N14O7/c1-2-33-29(48)34-9-14-19(44)22(47)28(49-14)43-16(40-18-24(32)36-12-38-26(18)43)5-3-7-41(8-4-6-30)10-15-20(45)21(46)27(50-15)42-13-39-17-23(31)35-11-37-25(17)42/h11-15,19-22,27-28,44-47H,2,4,6-10,30H2,1H3,(H2,31,35,37)(H2,32,36,38)(H2,33,34,48)/t14-,15-,19-,20-,21-,22-,27-,28-/m1/s1","","2023-09-07","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea","2025-03-19"],["4HA","4-HYDROXYBUTAN-1-AMINIUM","C4 H12 N O","OCCCC[NH3+];[NH3+]CCCCO;C(CCO)C[NH3+]","InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1","","2004-02-02","2011-06-04","4-hydroxybutan-1-aminium",""],["4HB","4,4'-DIHYDROXYBIPHENYL","C12 H10 O2","Oc2ccc(c1ccc(O)cc1)cc2;Oc1ccc(cc1)c2ccc(O)cc2;c1cc(ccc1c2ccc(cc2)O)O","InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H","","2011-07-23","2014-09-05","biphenyl-4,4'-diol",""],["UZ7","phenyl hydrogen carbonate","C7 H6 O3","c1cc(ccc1)OC(O)=O;OC(=O)Oc1ccccc1;c1ccc(cc1)OC(=O)O","InChI=1S/C7H6O3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)","","2020-06-08","2024-09-27","phenyl hydrogen carbonate","2020-06-17"],["4HC","4-HYDROXY-2H-CHROMEN-2-ONE","C9 H6 O3","O=C2Oc1ccccc1C(O)=C2;OC1=CC(=O)Oc2ccccc12;c1ccc2c(c1)C(=CC(=O)O2)O","InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H","4-HYDROXY-1-BENZOPYRAN-2-ONE; 4-HYDROXYCOUMARIN","2003-12-22","2020-06-17","4-hydroxy-2H-chromen-2-one",""],["UZ8","[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone","C11 H14 N2 O S","O=C(c1cccnc1SC)N1CCCC1;CSc1ncccc1C(=O)N2CCCC2;CSc1c(cccn1)C(=O)N2CCCC2","InChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3","","2022-08-29","2022-10-28","[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone","2022-11-02"],["UZ9","(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID","C30 H50 N2 O4","O=C(O)C(N)CCCCNC(=O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C;C[CH](CCC(=O)NCCCC[CH](N)C(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)NCCCCC(C(=O)O)N)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C","InChI=1S/C30H50N2O4/c1-19(7-12-27(34)32-17-5-4-6-26(31)28(35)36)23-10-11-24-22-9-8-20-18-21(33)13-15-29(20,2)25(22)14-16-30(23,24)3/h19-20,22-26H,4-18,31H2,1-3H3,(H,32,34)(H,35,36)/t19-,20-,22+,23-,24+,25+,26+,29+,30-/m1/s1","","2004-03-08","2024-09-27","N~6~-[(5beta,14beta,17alpha)-3,24-dioxocholan-24-yl]-L-lysine",""],["4HD","(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid","C22 H32 O3","O=C(O)CCC(O)C=CC=C/CC=C/CC=C/CC=C/CC=C/CC;CCC=CCC=CCC=CCC=CCC=CC=C[CH](O)CCC(O)=O;CCC=CCC=CCC=CCC=CCC=CC=CC(CCC(=O)O)O","InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1","","2008-06-02","2011-06-04","(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid",""],["4HE","(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron","C40 H36 Cl Fe N4 O4","O=C(O)CCC1=C(C=7N2C1=CC5=N4[Fe]26(n3c(c([C@H]=C)c(C)c3C=C4C(C)=C5CCC(O)=O)C=C8N6=C(C=7)C(=C8C)C=C)c9ccc(cc9)Cl)C;CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe]([N]5C(=CC6=NC(=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C)c7ccc(Cl)cc7;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C","InChI=1S/C34H34N4O4.C6H4Cl.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;7-6-4-2-1-3-5-6;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2-5H;/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;","","2016-03-14","2016-09-16","(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron","2016-09-21"],["UZA","(2S,6E)-2-amino-2-methylnon-6-enoic acid","C10 H19 N O2","NC(C(=O)O)(C)CCCC=CCC;CCC=CCCC[C](C)(N)C(O)=O;CCC=CCCCC(C)(C(=O)O)N","InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1","","2020-06-08","2024-09-27","(2S,6E)-2-amino-2-methylnon-6-enoic acid","2020-07-22"],["4HF","N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC\nACID","C19 H23 N5 O6 S","O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O;NC1=NC2=C(C[CH](CCc3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1;c1cc(sc1CCC2CC3=C(NC2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1","6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID; LY309887","2006-02-27","2020-06-17","N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid",""],["UZB","9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one","C28 H36 Cl N7 O","CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5nc(Cl)nc6[nH]ccc56)C3;CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C","InChI=1S/C28H36ClN7O/c1-27(2)8-13-34(14-9-27)17-20-3-5-21(6-4-20)36-18-23(37)33-28(19-36)10-15-35(16-11-28)25-22-7-12-30-24(22)31-26(29)32-25/h3-7,12H,8-11,13-19H2,1-2H3,(H,33,37)(H,30,31,32)","","2021-03-30","2021-09-10","9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-15"],["4HG","N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE","C12 H9 I N2 O4","O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O;OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O;c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I","InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)","","2006-02-22","2011-06-04","N-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine",""],["UZC","3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane)","C4 B18 Fe","B12[B+]34[B-]56[B]78[B]39%10[C]%11%12[C]%13%14[B]15([B]67%13[B]89%11%14)[Fe]%15%16([B]24%10%12)[B]%17%18%19[C]%20%21[C]%22%23[B]%20%24%25[B]%17%21%26[B]%24%27%28[B]%22%25%29[B]%27%30%31[B]%18%26%28[B]%15%19%30[B]%16%23%29%31;B123B45B67B189B212B33B44%10B565[Fe]78678%11%12(C911B234C%10516)B123B745B116B227B833B228B711B644B121C%1145C%12813","InChI=1S/2C2B9.Fe/c1-2-4-5-3(1)7(1)6(1,2)8(2,4)10(4,5)9(3,5,7)11(6,7,8)10;3-4-1-2-5(3)7-6(3,4)10(1,4)8(7)9(1,2,10)11(2,5,7)8;/q-3;-2;+5","","2023-02-16","2023-02-24","","2023-03-01"],["UZD","methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside","C15 H29 N O7","O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC;CCCCCCCNC(=O)OC[CH]1O[CH](OC)[CH](O)[CH](O)[CH]1O;CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)O","InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1","","2020-06-08","2020-12-18","methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside","2020-12-23"],["AG7","4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER","C31 H41 F N4 O7","O=C(NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccc(F)cc2)C(C)C)c3noc(c3)C;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(=O)[CH](NC(=O)c2cc(C)on2)C(C)C)Cc3ccc(F)cc3;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccc(cc2)F)CC(=O)C(C(C)C)NC(=O)c3cc(on3)C","InChI=1S/C31H41FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-9,14,18,21-22,24,28H,5,10-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22+,24+,28-/m0/s1","RUPINTRIVIR, bound form","1999-08-20","2024-09-27","ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate",""],["UZE","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C27 H38 F N7 O","CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4F;CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C","InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-22(21(28)14-20)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31)","","2021-03-30","2021-08-27","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-01"],["AG8","S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate","C19 H37 N O6 P2 S","O=P(O)(OP(=O)(O)SC/C=C(/CCC=C(/C)CCC=C(/C)CCCN(C)C)C)O;CN(C)CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)CCCN(C)C","InChI=1S/C19H37NO6P2S/c1-17(9-6-11-18(2)13-8-15-20(4)5)10-7-12-19(3)14-16-29-28(24,25)26-27(21,22)23/h10-11,14H,6-9,12-13,15-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b17-10+,18-11+,19-14+","","2010-12-21","2011-06-04","S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate",""],["AG9","AGMATIDINE","C14 H30 N7 O7 P","[O-]P([O-])(=O)OCC2OC([n+]1c(nc(N)cc1)NCCCCNC(=[NH2+])N)C(O)C2O;NC(N)NCCCCNC1=N[CH](N)C=CN1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=NC1N)NCCCCNC(N)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/t8-,10-,11-,12-/m1/s1","","2013-02-14","2013-03-29","4-amino-2-[(4-{[amino(iminio)methyl]amino}butyl)amino]-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyrimidin-1-ium","2013-04-03"],["UZF","1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone","C16 H15 N O S","SCC(=O)N1c2ccccc2CCc3ccccc13;c1ccc2c(c1)CCc3ccccc3N2C(=O)CS","InChI=1S/C16H15NOS/c18-16(11-19)17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2","","2023-06-30","2023-08-25","1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone","2023-08-30"],["AGA","(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE","C19 H36 O10 P","O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCC)CCCCCCC;CCCCCCCC(=O)O[CH](COC(=O)CCCC)CO[P]([O-])(=O)OC[CH](O)CO;CCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)([O-])OCC(CO)O","InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1","PHOSPHATIDYL GLYCEROL","2003-08-21","2020-06-17","(2S)-2,3-dihydroxypropyl (2R)-2-(octanoyloxy)-3-(pentanoyloxy)propyl phosphate",""],["UZG","2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide","C22 H20 N4 O3","COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N;COc1ccc(Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N)cc1OC;COc1ccc(cc1OC)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=N)N","InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)","","2020-06-08","2020-12-25","2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide","2020-12-30"],["UZH","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","C27 H38 F N7 O","CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c(F)c4;CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C","InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-21(14-22(20)28)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31)","","2021-03-30","2021-08-27","4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one","2021-09-01"],["AGB","N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA","C19 H27 N5 O","O=C(NCc1ccc(NC(=[N@H])N)cc1)NC24CC3CC(CC(C2)C3)C4;NC(=N)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1;[H]N=C(N)Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3","InChI=1S/C19H27N5O/c20-17(21)23-16-3-1-12(2-4-16)11-22-18(25)24-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H4,20,21,23)(H2,22,24,25)/t13-,14+,15-,19-","","2000-04-25","2011-06-04","1-(4-carbamimidamidobenzyl)-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]urea",""],["AGC","ALPHA-D-GLUCOSE","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1","","2003-10-15","2008-10-14","alpha-D-glucopyranose",""],["UZJ","2-deoxy-beta-D-ribopyranose","C5 H10 O4","C1(O)C(CC(O)OC1)O;O[CH]1C[CH](O)[CH](O)CO1;C1C(C(COC1O)O)O","InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m0/s1","2-deoxy-beta-D-erythro-pentopyranose","2020-06-09","2021-05-28","2-deoxy-beta-D-erythro-pentopyranose","2021-06-02"],["UZK","(2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide","C22 H28 N4 O3","C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[CH]4C[CH]4C3)C(=O)NCCC5CC5;CC1CC(=O)Nc2cc(ccc2N1C(=O)N3CC4CC4C3)C(=O)NCCC5CC5","InChI=1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16-,17+/m0/s1","(2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide","2021-03-30","2021-07-02","(2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide","2021-07-07"],["AGD","3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine","C8 H10 N6 O3","O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N;N[CH](Cn1cnc2C(=O)NC(=Nc12)N)C(O)=O;c1nc2c(n1CC(C(=O)O)N)N=C(NC2=O)N","InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1","","2008-02-12","2024-09-27","3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine",""],["UZL","O2'-methylycytidine","C10 H15 N3 O5","CO[CH]1[CH](O)[CH](CO)O[CH]1N2C=CC(=NC2=O)N;COC1C(C(OC1N2C=CC(=NC2=O)N)CO)O","InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1","4-azanyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one","2023-02-17","2023-02-24","4-azanyl-1-[(2~{R},3~{R},4~{R},5~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one","2023-03-01"],["AGE","(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide","C16 H16 N2 O3","O=C(c1cc(C=CC(=O)NO)n(c1)C)Cc2ccccc2;Cn1cc(cc1C=CC(=O)NO)C(=O)Cc2ccccc2;Cn1cc(cc1C=CC(=O)NO)C(=O)Cc2ccccc2","InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+","APHA Compound 8; 3-(1-Methyl-4-phenylacetyl-1H-2-pyrrolyl)-N-hydroxypropenamide","2008-11-03","2020-06-17","(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide",""],["UZM","(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide","C14 H18 Cl2 N2 O3 S","c1c(cc(c(c1)C(CC(NO)=O)CC(=O)NCCCS)Cl)Cl;ONC(=O)C[CH](CC(=O)NCCCS)c1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)C(CC(=O)NCCCS)CC(=O)NO","InChI=1S/C14H18Cl2N2O3S/c15-10-2-3-11(12(16)8-10)9(7-14(20)18-21)6-13(19)17-4-1-5-22/h2-3,8-9,21-22H,1,4-7H2,(H,17,19)(H,18,20)/t9-/m0/s1","","2020-06-09","2024-09-27","(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide","2020-09-23"],["AGF","O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE","C21 H25 N2 O8 P","O=C(O)C(OP(=O)(O)CNC(=O)C(NC(=O)OCc1ccccc1)C)Cc2ccccc2;C[CH](NC(=O)OCc1ccccc1)C(=O)NC[P](O)(=O)O[CH](Cc2ccccc2)C(O)=O;CC(C(=O)NCP(=O)(O)OC(Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2","InChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-{[(R)-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid",""],["UZN","[(2~{S})-2-azanylhexyl]carbamic acid","C7 H16 N2 O2","CCCC[CH](N)CNC(O)=O;CCCCC(CNC(=O)O)N","InChI=1S/C7H16N2O2/c1-2-3-4-6(8)5-9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1","","2019-10-12","2024-09-27","[(2~{S})-2-azanylhexyl]carbamic acid","2021-02-17"],["AGG","TIROFIBAN","C22 H36 N2 O5 S","O=S(=O)(NC(C(=O)O)Cc2ccc(OCCCCC1CCNCC1)cc2)CCCC;CCCC[S](=O)(=O)N[CH](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O;CCCCS(=O)(=O)NC(Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O","InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1","N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE","2004-07-19","2020-06-17","N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine",""],["AGH","N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE","C50 H99 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1","","2005-06-06","2011-06-04","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide",""],["UZO","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-(phenylmethyl)urea","C34 H42 N14 O7","NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)NCc4ccccc4)[CH](O)[CH]3O)C[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67;c1ccc(cc1)CNC(=O)NCC2C(C(C(O2)n3c(nc4c3ncnc4N)C#CCN(CCCN)CC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O","InChI=1S/C34H42N14O7/c35-9-5-11-46(14-20-25(50)26(51)32(55-20)47-17-44-22-28(36)40-15-42-30(22)47)10-4-8-21-45-23-29(37)41-16-43-31(23)48(21)33-27(52)24(49)19(54-33)13-39-34(53)38-12-18-6-2-1-3-7-18/h1-3,6-7,15-17,19-20,24-27,32-33,49-52H,5,9-14,35H2,(H2,36,40,42)(H2,37,41,43)(H2,38,39,53)/t19-,20+,24-,25-,26-,27-,32+,33+/m1/s1","","2023-09-07","2025-03-14","1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-(phenylmethyl)urea","2025-03-19"],["AGI","5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one","C15 H10 O5","O=C1c3c(OC(=C1)c2ccc(O)cc2)cc(O)cc3O;Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2;c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","Apigenin","2008-03-06","2020-06-17","5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",""],["UZP","(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide","C16 H22 Cl2 N2 O3","c1c(cc(c(C(CC(=O)NCCCCC)CC(=O)NO)c1)Cl)Cl;CCCCCNC(=O)C[CH](CC(=O)NO)c1ccc(Cl)cc1Cl;CCCCCNC(=O)CC(CC(=O)NO)c1ccc(cc1Cl)Cl","InChI=1S/C16H22Cl2N2O3/c1-2-3-4-7-19-15(21)8-11(9-16(22)20-23)13-6-5-12(17)10-14(13)18/h5-6,10-11,23H,2-4,7-9H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1","","2020-06-09","2020-09-18","(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide","2020-09-23"],["UZQ","(2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide","C22 H24 F N3 O3","CCCCNC(=O)c1ccc2N([CH](C)CC(=O)Nc2c1)C(=O)c3ccccc3F;CCCCNC(=O)c1ccc2c(c1)NC(=O)CC(N2C(=O)c3ccccc3F)C","InChI=1S/C22H24FN3O3/c1-3-4-11-24-21(28)15-9-10-19-18(13-15)25-20(27)12-14(2)26(19)22(29)16-7-5-6-8-17(16)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,28)(H,25,27)/t14-/m0/s1","(2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide","2021-03-30","2021-07-02","(2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide","2021-07-07"],["AGJ","N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide","C18 H20 N2 O4","O=C(Cc1ccccc1)N(Cc2ccc(C(=O)NO)cc2)CCO;OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc2ccccc2;c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO","InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)","","2017-07-17","2017-12-01","N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide","2017-12-06"],["AGK","(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol","C5 H12 N2 O3","OC[CH]1NNC[CH](O)[CH]1O;C1C(C(C(NN1)CO)O)O","InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m1/s1","AZA-GALACTO-FAGOMINE","2015-03-17","2020-06-17","(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol","2015-03-25"],["UZR","2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate","C9 H13 N5 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(N=[N+]=[N@H])C2O;O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1N=[N+]=N)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=N","InChI=1S/C9H12N5O8P/c10-13-12-6-7(16)4(3-21-23(18,19)20)22-8(6)14-2-1-5(15)11-9(14)17/h1-2,4,6-8,10,16H,3H2,(H2-,11,15,17,18,19,20)/p+1/t4-,6-,7-,8-/m1/s1","","2011-06-08","2012-04-06","2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yluridine 5'-(dihydrogen phosphate)",""],["UZS","N-hydroxy-7-sulfanylheptanamide","C7 H15 N O2 S","ONC(CCCCCCS)=O;ONC(=O)CCCCCCS;C(CCCS)CCC(=O)NO","InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)","","2020-06-09","2024-09-27","N-hydroxy-7-sulfanylheptanamide","2021-06-09"],["AGL","4-amino-4,6-dideoxy-alpha-D-glucopyranose","C6 H13 N O4","OC1C(N)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N;CC1C(C(C(C(O1)O)O)O)N","InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1","4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE; 4-amino-4-deoxy-alpha-D-quinovopyranose; 4-amino-4,6-dideoxy-alpha-D-glucose;\n4-amino-4,6-dideoxy-D-glucose; 4-amino-4,6-dideoxy-glucose","1999-07-08","2020-07-17","4-amino-4,6-dideoxy-alpha-D-glucopyranose",""],["A","ADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2026-03-05","5'-adenylic acid",""],["UZT","(2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide","C22 H31 N5 O3","C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC3)C(=O)NCCC4CC4;CC1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4","InChI=1S/C22H31N5O3/c1-14-12-20(28)25-18-13-16(21(29)24-9-6-15-2-3-15)4-5-19(18)27(14)22(30)26-10-7-17(23)8-11-26/h4-5,13-15,17H,2-3,6-12,23H2,1H3,(H,24,29)(H,25,28)/t14-/m0/s1","(2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide","2021-03-30","2021-07-02","(2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide","2021-07-07"],["UZV","N-hydroxy-5-sulfanylpentanamide","C5 H11 N O2 S","C(CCCCS)(NO)=O;ONC(=O)CCCCS;C(CCS)CC(=O)NO","InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7)","","2020-06-09","2024-09-27","N-hydroxy-5-sulfanylpentanamide","2020-09-23"],["AG","SILVER ION","Ag","[Ag+];[Ag+];[Ag+]","InChI=1S/Ag/q+1","","1999-07-08","2011-06-04","silver(1+)",""],["UZW","~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide","C13 H11 N5 O2 S","ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1;c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO","InChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19)","","2021-03-31","2021-10-22","~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide","2021-10-27"],["AGM","5-METHYL-ARGININE","C7 H17 N4 O2","O=C(O)C(N)CCC(NC(=[NH2+])N)C;C[CH](CC[CH](N)C(O)=O)NC(N)=[NH2+];CC(CCC(C(=O)O)N)NC(=[NH2+])N","InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1","","1999-07-08","2024-09-27","amino{[(1S,4S)-4-amino-4-carboxy-1-methylbutyl]amino}methaniminium",""],["AGN","PHOSPHOAMINOPHOSPHONIC ACID 3'-O-(N-METHYLANTHRANILOYL-2'-DEOXYGUANYLATE ESTER","C18 H24 N7 O13 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)CC4OC(=O)c3ccccc3NC;CNc1ccccc1C(=O)O[CH]2C[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N;CNc1ccccc1C(=O)OC2CC(OC2COP(=O)(O)OP(=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N","InChI=1S/C18H24N7O13P3/c1-20-10-5-3-2-4-9(10)17(27)37-11-6-13(25-8-21-14-15(25)22-18(19)23-16(14)26)36-12(11)7-35-41(33,34)38-40(31,32)24-39(28,29)30/h2-5,8,11-13,20H,6-7H2,1H3,(H,33,34)(H3,19,22,23,26)(H4,24,28,29,30,31,32)/t11-,12+,13+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-{[2-(methylamino)phenyl]carbonyl}guanosine",""],["UZX","2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide","C14 H11 Cl2 N3 O2","NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2;c1ccc(c(c1)C(=O)N)NC(=O)Nc2cc(cc(c2)Cl)Cl","InChI=1S/C14H11Cl2N3O2/c15-8-5-9(16)7-10(6-8)18-14(21)19-12-4-2-1-3-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)","","2023-02-17","2024-02-16","2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide","2024-02-21"],["AGO","2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one","C18 H22 N7 O14 P3","O=P(OCC2OC(C(=O)C2OC(=O)c1ccccc1NC)n3c4N=C(N)NC(=O)c4nc3)(O)OP(=O)(O)NP(=O)(O)O;CNc1ccccc1C(=O)O[CH]2[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O[CH](n3cnc4C(=O)NC(=Nc34)N)C2=O;CNc1ccccc1C(=O)OC2C(OC(C2=O)n3cnc4c3N=C(NC4=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O","InChI=1S/C18H22N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,13,16,20H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,13-,16-/m1/s1","","2009-08-06","2011-06-04","2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one",""],["UZY","N-hydroxy-6-sulfanylhexanamide","C6 H13 N O2 S","C(CCCCCS)(NO)=O;ONC(=O)CCCCCS;C(CCC(=O)NO)CCS","InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8)","","2020-06-09","2024-09-27","N-hydroxy-6-sulfanylhexanamide","2020-09-23"],["UZZ","1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine","C33 H55 N11 O6","NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)[CH](CNC(=O)CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)Cc2ccccc2;c1ccc(cc1)CC2CNC(=O)CNC(=O)CNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC2=O)CCCCN)CCCCN)NC(=N)N","InChI=1S/C33H55N11O6/c34-15-7-4-12-24-30(48)38-17-9-6-14-25(44-33(36)37)31(49)41-21-28(46)40-20-27(45)39-19-23(18-22-10-2-1-3-11-22)29(47)42-26(32(50)43-24)13-5-8-16-35/h1-3,10-11,23-26H,4-9,12-21,34-35H2,(H,38,48)(H,39,45)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H4,36,37,44)/t23-,24-,25+,26-/m0/s1","","2021-03-31","2022-04-01","1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine","2022-04-06"],["AGP","2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE","C6 H16 N O8 P","O=P(O)(O)OCC(O)C(O)C(O)C(N)CO;N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O","InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1","","1999-07-08","2011-06-04","2-amino-2-deoxy-6-O-phosphono-D-glucitol",""],["V00","~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide","C26 H29 F N2 O2","COc1cc2ccccc2c(c1)[CH](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4;CC(c1cc(cc2c1cccc2)OC)N3CCC(CC3)C(=O)NCc4cccc(c4)F","InChI=1S/C26H29FN2O2/c1-18(25-16-23(31-2)15-21-7-3-4-9-24(21)25)29-12-10-20(11-13-29)26(30)28-17-19-6-5-8-22(27)14-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H,28,30)/t18-/m1/s1","","2023-06-30","2024-06-28","~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide","2024-07-03"],["AGQ","3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine","C10 H13 N5 O4","O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N;N[CH](CC1=CC(=NNC(N)=N)C(=CC1=O)O)C(O)=O;C1=C(C(=O)C=C(C1=NNC(=N)N)O)CC(C(=O)O)N","InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1","","2010-05-17","2024-09-27","3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine",""],["V01","N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide","C24 H21 N5 O4","O=C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc4ncncc4)=O)C5CC5;O=C1COc2cc(ccc2N1)C(=O)N(Cc3ccc(cc3)C(=O)Nc4ccncn4)C5CC5;c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5","InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)","","2020-06-09","2020-07-17","N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide","2020-07-22"],["AGR","[(2R,3S,4S,5S)-2,5-bis(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany\nl-oxolan-3-yl] [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate","C17 H31 O18 P","O=P(OC1C(O)C(O)COC1O)(OC3C(OC(OC2OC(CO)C(O)C(O)C2O)(CO)C3O)CO)O;OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O[P](O)(=O)O[CH]3[CH](O)OC[CH](O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)OP(=O)(O)OC2C(OC(C2O)(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O","InChI=1S/C17H31O18P/c18-1-6-9(23)10(24)11(25)16(31-6)33-17(4-20)14(26)12(7(2-19)32-17)34-36(28,29)35-13-8(22)5(21)3-30-15(13)27/h5-16,18-27H,1-4H2,(H,28,29)/t5-,6+,7+,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1","agrocinopine A","2014-03-12","2020-07-17","(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl (2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl hydrogen (R)-phosphate (non-preferred name)","2015-08-19"],["AGS","PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER","C10 H16 N5 O12 P3 S","O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N","InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1","ATP-GAMMA-S; ADENOSINE 5'-(3-THIOTRIPHOSPHATE); ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE); ADENOSINE-5'-DIPHOSPHATE\nMONOTHIOPHOSPHATE","1999-07-08","2020-06-17","5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine",""],["V02","3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol","C23 H25 N O S","S(C(c1cc(O)ccc1)(c2ccccc2)c3cccc(c3)CC)CCN;CCc1cccc(c1)[C](SCCN)(c2ccccc2)c3cccc(O)c3;CCc1cccc(c1)C(c2ccccc2)(c3cccc(c3)O)SCCN","InChI=1S/C23H25NOS/c1-2-18-8-6-11-20(16-18)23(26-15-14-24,19-9-4-3-5-10-19)21-12-7-13-22(25)17-21/h3-13,16-17,25H,2,14-15,24H2,1H3/t23-/m1/s1","","2012-09-22","2014-09-05","3-[(R)-[(2-aminoethyl)sulfanyl](3-ethylphenyl)phenylmethyl]phenol","2013-05-15"],["V03","(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol","C10 H15 N O2","COc1ccc(cc1)C(N)CCO;COc1ccc(cc1)[CH](N)CCO;COc1ccc(cc1)C(CCO)N","InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1","","2022-08-29","2022-10-28","(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol","2022-11-02"],["AGT","S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE","C8 H20 N4 O2 S","O=C(O)C(N)CSC(NCCCCN)N;NCCCCN[CH](N)SC[CH](N)C(O)=O;C(CCNC(N)SCC(C(=O)O)N)CN","InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1","","2006-08-17","2024-09-27","S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine",""],["V04","4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide","C16 H14 F I N4 O3","Ic1ccc(c(F)c1)Nc2c(ccc3c2cnn3)C(=O)NOCCO;OCCONC(=O)c1ccc2[nH]ncc2c1Nc3ccc(I)cc3F;c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO","InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)","","2012-01-11","2012-05-04","4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide",""],["AGU","AMINOGUANIDINE","C H6 N4","[N@H]=C(N)NN;NNC(N)=N;C(=N)(N)NN","InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)","","1999-07-08","2011-06-04","hydrazinecarboximidamide",""],["V05","3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide","C13 H9 F2 N7 O2","ONC(=O)c1cc(F)c(Cn2nnc(n2)c3ncccn3)c(F)c1;c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F","InChI=1S/C13H9F2N7O2/c14-9-4-7(13(23)20-24)5-10(15)8(9)6-22-19-12(18-21-22)11-16-2-1-3-17-11/h1-5,24H,6H2,(H,20,23)","","2021-03-31","2021-10-22","3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide","2021-10-27"],["AGV","(2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol","C12 H17 N5 O3","OCC3N(Cc2cnc1c2ncnc1N)CC(O)C3O;Nc1ncnc2c(CN3C[CH](O)[CH](O)[CH]3CO)c[nH]c12;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3CO)O)O","InChI=1S/C12H17N5O3/c13-12-10-9(15-5-16-12)6(1-14-10)2-17-3-8(19)11(20)7(17)4-18/h1,5,7-8,11,14,18-20H,2-4H2,(H2,13,15,16)/t7-,8+,11-/m1/s1","","2012-12-06","2013-08-02","(2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol","2013-08-07"],["V06","3-bromopyridin-4-amine","C5 H5 Br N2","Nc1ccncc1Br;Nc1ccncc1Br;c1cncc(c1N)Br","InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)","","2022-08-03","2023-05-26","3-bromopyridin-4-amine","2023-05-31"],["AGW","[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate","C24 H35 O19 P","O=C(OC3C(OC1OC(CO)C(O)C(O)C1O)(OC(CO)C3OP(=O)(OC2C(O)C(O)COC2O)O)CO)c4ccccc4;OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O[P](O)(=O)O[CH]3[CH](O)OC[CH](O)[CH]3O)[CH]2OC(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)OP(=O)(O)OC4C(C(COC4O)O)O","InChI=1S/C24H35O19P/c25-6-12-15(30)16(31)17(32)23(38-12)41-24(9-27)20(39-21(33)10-4-2-1-3-5-10)18(13(7-26)40-24)42-44(35,36)43-19-14(29)11(28)8-37-22(19)34/h1-5,11-20,22-23,25-32,34H,6-9H2,(H,35,36)/t11-,12+,13+,14-,15-,16+,17+,18+,19+,20-,22+,23+,24-/m0/s1","","2014-03-20","2015-08-14","(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-4-{[(R)-hydroxy{[(2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl]oxy}phosphoryl]oxy}-2-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl benzoate (non-preferred name)","2015-08-19"],["V07","7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine","C19 H21 F N4","c3(n1c(c(cn1)c2ccc(cc2)F)nc(C)c3)N4CCCCCC4;Cc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1;Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4","InChI=1S/C19H21FN4/c1-14-12-18(23-10-4-2-3-5-11-23)24-19(22-14)17(13-21-24)15-6-8-16(20)9-7-15/h6-9,12-13H,2-5,10-11H2,1H3","MAC-0547630","2020-06-09","2021-07-30","7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine","2021-08-04"],["AGX","(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate","C16 H13 Cl2 N3 O2","Clc1ccc(cc1Cl)NC(=O)OC(c3nc2ccccc2n3)C;C[CH](OC(=O)Nc1ccc(Cl)c(Cl)c1)c2[nH]c3ccccc3n2;CC(c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl","InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1","","2009-09-18","2011-06-04","(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate",""],["V08","(2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid","C7 H12 O4","CC(C)[CH](C=O)[CH](O)C(O)=O;CC(C)C(C=O)C(C(=O)O)O","InChI=1S/C7H12O4/c1-4(2)5(3-8)6(9)7(10)11/h3-6,9H,1-2H3,(H,10,11)/t5-,6+/m0/s1","","2021-03-31","2022-04-08","(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoic acid","2022-04-13"],["AGY","2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide","C22 H22 N4 O4","[O-][N+](=O)c1c(ccc(c1)C(=O)NNC(=O)Nc3cccc2ccccc23)C(C)(C)C;CC(C)(C)c1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)Nc2cccc3ccccc23;CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3","InChI=1S/C22H22N4O4/c1-22(2,3)17-12-11-15(13-19(17)26(29)30)20(27)24-25-21(28)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H,24,27)(H2,23,25,28)","","2009-09-18","2011-06-04","2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-(naphthalen-1-yl)hydrazinecarboxamide",""],["AH0","2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID","C11 H17 N O7","O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C;C[CH](O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C2OCC(C1O)O2)NC(=O)C","InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1","1,6-anhydro-N-acetylmuramic acid","1999-07-08","2024-09-27","(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)",""],["V09","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol","C25 H24 N10 O4","Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4Cc6ccccc6)[CH](O)[CH]3O;c1ccc(cc1)Cn2c(nc3c2ncnc3N)C#CCOCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C25H24N10O4/c26-21-17-23(30-11-28-21)35(13-32-17)25-20(37)19(36)15(39-25)10-38-8-4-7-16-33-18-22(27)29-12-31-24(18)34(16)9-14-5-2-1-3-6-14/h1-3,5-6,11-13,15,19-20,25,36-37H,8-10H2,(H2,26,28,30)(H2,27,29,31)/t15-,19-,20-,25-/m1/s1","","2023-09-07","2025-03-14","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol","2025-03-19"],["AH1","AHA001","C33 H34 N2 O5","O=C1N(C(C(O)C(O)C(N1Cc2ccccc2)COc3ccccc3)COc4ccccc4)Cc5ccccc5;O[CH]1[CH](O)[CH](COc2ccccc2)N(Cc3ccccc3)C(=O)N(Cc4ccccc4)[CH]1COc5ccccc5;c1ccc(cc1)CN2C(C(C(C(N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5","InChI=1S/C33H34N2O5/c36-31-29(23-39-27-17-9-3-10-18-27)34(21-25-13-5-1-6-14-25)33(38)35(22-26-15-7-2-8-16-26)30(32(31)37)24-40-28-19-11-4-12-20-28/h1-20,29-32,36-37H,21-24H2/t29-,30-,31+,32+/m1/s1","(4R,5S, 6S, 7R)-1,3-DIBENZYL-4,7-BIS(PHENOXYMETHYL)-5,6-DIHYDROXY-1,3 DIAZEPAN-2-ONE","1999-07-08","2021-03-13","(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one",""],["V0A","(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione","C22 H27 N O5","C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C;C[CH](C=C(C)C=CC(O)=C1C(=O)C=NC1=O)[CH]2O[C]3(C)O[CH](CC=C3C)[CH]2C;CC1C2CC=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(=O)C=NC3=O)O)C)C","InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1","Tirandamycin C","2020-06-09","2021-06-04","(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione","2021-06-09"],["V0B","N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide","C18 H15 N5 O2","Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3)cn2c1;Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3","InChI=1S/C18H15N5O2/c1-12-5-6-15-20-13(11-22(15)10-12)9-19-18(25)14-8-17(24)23-7-3-2-4-16(23)21-14/h2-8,10-11H,9H2,1H3,(H,19,25)","~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide","2021-03-31","2021-04-02","~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide","2021-04-07"],["AH2","1-deoxy-alpha-D-mannopyranose","C6 H12 O5","OC[CH]1OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)CO)O)O)O","InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1","1,5-Anhydromannitol; 1-deoxy-alpha-D-mannose; 1-deoxy-D-mannose; 1-deoxy-mannose","2017-01-13","2020-07-17","(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)oxane-3,4,5-triol","2018-02-14"],["AH3","7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C13 H17 N O3","c2c1c(CCN(C1)C=O)cc(c2OCC)OC;CCOc1cc2CN(CCc2cc1OC)C=O;CCOc1cc2c(cc1OC)CCN(C2)C=O","InChI=1S/C13H17NO3/c1-3-17-13-7-11-8-14(9-15)5-4-10(11)6-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3","","2018-11-01","2019-10-18","7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SMA","STIGMATELLIN A","C30 H42 O7","CO[CH](C=CC=CC(C)=CC)[CH](C)[CH](OC)[CH](C)CCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1;CC=C(C)C=CC=CC(C(C)C(C(C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC","InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12?,18-10+/t19-,21+,22-,29-/m0/s1","","1999-07-08","2011-09-20","2-[(3S,4S,5S,6S,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-5,7-dimethoxy-3-methyl-8-oxidanyl-chromen-4-one",""],["AH4","2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide","C24 H27 N5 O3","N(O)C(CCCCCCNC(c3cnc(N(c1ccccc1)c2ccccc2)nc3)=O)=O;ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3;c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO","InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)","","2017-07-17","2017-12-01","2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide","2017-12-06"],["SMB","2-METHYLBUTANOIC ACID","C5 H10 O2","O=C(O)C(C)CC;CC[CH](C)C(O)=O;CCC(C)C(=O)O","InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1","","2003-08-21","2012-01-05","(2S)-2-methylbutanoic acid",""],["AH6","6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C13 H17 N O3","c2c1CN(CCc1cc(c2OC)OCC)C=O;CCOc1cc2CCN(Cc2cc1OC)C=O;CCOc1cc2c(cc1OC)CN(CC2)C=O","InChI=1S/C13H17NO3/c1-3-17-13-6-10-4-5-14(9-15)8-11(10)7-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3","","2018-11-01","2019-10-18","6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SMC","S-METHYLCYSTEINE","C4 H9 N O2 S","O=C(O)C(N)CSC;CSC[CH](N)C(O)=O;CSCC(C(=O)O)N","InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","1999-07-08","2024-09-27","S-methyl-L-cysteine",""],["SMD","METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE","C13 H24 O10 S","S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;COC1C(C(C(C(O1)CO)O)O)SC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1","","2004-09-03","2020-07-17","methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside",""],["AH7","2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide","C17 H18 F2 N4 O2","C2(Nc1ncc(cn1)C(NO)=O)(CCC(CC2)(F)F)c3ccccc3;ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c3ccccc3)nc1;c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO","InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)","","2017-07-17","2017-12-01","2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide","2017-12-06"],["SME","METHIONINE SULFOXIDE","C5 H11 N O3 S","O=C(O)C(N)CCS(=O)C;C[S](=O)CC[CH](N)C(O)=O;CS(=O)CCC(C(=O)O)N","InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid",""],["AH8","(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol","C5 H9 N3 O4","[N-]=[N+]=N/C1OC(C(O)C1O)CO;OC[CH]1O[CH](N=[N+]=[N-])[CH](O)[CH]1O;C(C1C(C(C(O1)N=[N+]=[N-])O)O)O","InChI=1S/C5H9N3O4/c6-8-7-5-4(11)3(10)2(1-9)12-5/h2-5,9-11H,1H2/t2-,3-,4+,5+/m0/s1","(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol","2010-08-03","2020-07-17","(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (non-preferred name)",""],["SMF","4-SULFOMETHYL-L-PHENYLALANINE","C10 H13 N O5 S","O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O;N[CH](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)CS(=O)(=O)O","InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1","","2003-03-18","2024-09-27","4-(sulfomethyl)-L-phenylalanine",""],["AH9","6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C12 H15 N O3","c2c1CN(CCc1cc(c2OC)OC)C=O;COc1cc2CCN(Cc2cc1OC)C=O;COc1cc2c(cc1OC)CN(CC2)C=O","InChI=1S/C12H15NO3/c1-15-11-5-9-3-4-13(8-14)7-10(9)6-12(11)16-2/h5-6,8H,3-4,7H2,1-2H3","","2018-11-02","2019-10-18","6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SMG","N-SUCCINYL METHIONINE","C9 H15 N O5 S","O=C(NC(C(=O)O)CCSC)CCC(=O)O;CSCC[CH](NC(=O)CCC(O)=O)C(O)=O;CSCCC(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1","","2004-03-04","2011-06-04","N-(3-carboxypropanoyl)-D-methionine",""],["AHA","6-AMINO HEXANOIC ACID","C6 H13 N O2","O=C(O)CCCCCN;NCCCCCC(O)=O;C(CCC(=O)O)CCN","InChI=1/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)/f/h8H","","1999-07-08","2008-10-14","6-aminohexanoic acid",""],["SMH","N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide","C28 H38 N2 O7 S","O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN4CCCC3(Oc2c(cc(O)cc2)C(=O)C3)C4;CCOCCN(C[CH](O)CN1CCC[C]2(C1)CC(=O)c3cc(O)ccc3O2)[S](=O)(=O)c4c(C)cccc4C;CCOCCN(CC(CN1CCCC2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C","InChI=1S/C28H38N2O7S/c1-4-36-14-13-30(38(34,35)27-20(2)7-5-8-21(27)3)18-23(32)17-29-12-6-11-28(19-29)16-25(33)24-15-22(31)9-10-26(24)37-28/h5,7-10,15,23,31-32H,4,6,11-14,16-19H2,1-3H3/t23-,28+/m0/s1","","2011-02-10","2011-06-04","N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide",""],["AHB","BETA-HYDROXYASPARAGINE","C4 H8 N2 O4","O=C(O)C(N)C(O)C(=O)N;N[CH]([CH](O)C(N)=O)C(O)=O;C(C(C(=O)N)O)(C(=O)O)N","InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1","","1999-07-08","2024-09-27","(3S)-3-hydroxy-L-asparagine",""],["SMI","SPECTINOMYCIN","C14 H26 N2 O8","O1C3C(OC2(O)C1OC(C)CC2(O)O)C(NC)C(O)C(NC)C3O;CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH](O[CH](C)CC3(O)O)O[CH]2[CH]1O;CC1CC(C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O)(O)O","InChI=1S/C14H26N2O8/c1-5-4-13(19,20)14(21)12(22-5)23-11-9(18)6(15-2)8(17)7(16-3)10(11)24-14/h5-12,15-21H,4H2,1-3H3/t5-,6-,7+,8+,9+,10-,11-,12+,14-/m1/s1","(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol","2009-06-30","2021-03-13","(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol",""],["AHC","4-AMINOHYDROCINNAMIC ACID","C9 H11 N O2","O=C(O)CCc1ccc(N)cc1;Nc1ccc(CCC(O)=O)cc1;c1cc(ccc1CCC(=O)O)N","InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)","","1999-07-08","2011-06-04","3-(4-aminophenyl)propanoic acid",""],["SMK","(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide","C29 H39 N5 O3","O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(N)CC)C(CCC3CC4)CCN;CC[CH](N)C(=O)N[CH]1[CH](CCN)CC[CH]2CC[CH](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4;CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N","InChI=1S/C29H39N5O3/c1-2-23(31)27(35)33-26-21(17-18-30)13-14-22-15-16-24(34(22)29(26)37)28(36)32-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-26H,2,13-18,30-31H2,1H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1","","2008-10-22","2011-06-04","(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide",""],["AHD","4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE","C4 H9 N O7 P2","[O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-];NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O;C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN","InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4","ALENDRONATE; FOSAMAX (TM)","2005-01-11","2020-05-26","(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonate)",""],["SML","PHENYL METHYL SULFONE","C7 H8 O2 S","methyl phenyl sulfone;C[S](=O)(=O)c1ccccc1;CS(=O)(=O)c1ccccc1","InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3","","1999-10-19","2011-06-04","(methylsulfonyl)benzene",""],["AHE","2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-BUTYRIC ACID","C11 H19 N3 O7 S","O=C(NC(C(=O)NCC(=O)O)CSCO)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CSCO)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSCO)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1","S-HYDROXYMETHYL GLUTATHIONE","2002-08-27","2021-03-01","L-gamma-glutamyl-S-(hydroxymethyl)-L-cysteinylglycine",""],["SMM","S-ADENOSYLMETHIONINE METHYL ESTER","C16 H26 N6 O5 S","O=C(OC)C(N)CCS(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;COC(=O)[CH](N)CC[SH](C)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;COC(=O)C(CCS(C)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C16H26N6O5S/c1-26-16(25)8(17)3-4-28(2)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24,28H,3-5,17H2,1-2H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1","","2001-03-13","2024-09-27","5'-[(S)-[(3S)-3-amino-4-methoxy-4-oxobutyl](methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine",""],["AHF","2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL","C35 H40 N2 O9 S","O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccc(cc1)C(O)OC)COc3ccccc3)COc4ccccc4)Cc5ccc(cc5)CO;CO[CH](O)c1ccc(CN2[CH](COc3ccccc3)[CH](O)[CH](O)[CH](COc4ccccc4)N(Cc5ccc(CO)cc5)[S]2(=O)=O)cc1;COC(c1ccc(cc1)CN2C(C(C(C(N(S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O","InChI=1S/C35H40N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-35,38-41H,20-24H2,1H3/t31-,32-,33+,34+,35+/m1/s1","","2000-11-02","2011-06-04","(3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide",""],["SMN","(S)-MANDELIC ACID","C8 H8 O3","O=C(O)C(O)c1ccccc1;O[CH](C(O)=O)c1ccccc1;c1ccc(cc1)C(C(=O)O)O","InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1","","1999-07-08","2011-06-04","(2S)-hydroxy(phenyl)ethanoic acid",""],["AHG","2,5-anhydro-1,6-di-O-phosphono-D-glucitol","C6 H14 O11 P2","O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1","2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE","1999-07-08","2020-07-17","2,5-anhydro-1,6-di-O-phosphono-D-glucitol",""],["SMO","DIOXOSULFIDOMOLYBDENUM(VI) ION","Mo O2 S","O=[Mo](=O)=S;O=[Mo](=O)=S;O=[Mo](=O)=S","InChI=1S/Mo.2O.S","","2004-06-01","2011-06-04","dioxo(thioxo)molybdenum",""],["AHH","AMINO-HYDROXYHEPTANOIC ACID","C7 H15 N O3","O=C(O)C(O)C(N)CCCC;CCCC[CH](N)[CH](O)C(O)=O;CCCCC(C(C(=O)O)O)N","InChI=1S/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6+/m1/s1","","1999-07-08","2024-09-27","(2S,3R)-3-amino-2-hydroxyheptanoic acid",""],["SMP","2'-DEOXY-ADENOSINE-5'-SP-MONOMETHYLPHOSPHONATE","C11 H16 N5 O5 P","O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)CC3O)C;C[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23;CP(=O)(O)OCC1C(CC(O1)n2cnc3c2ncnc3N)O","InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1","","2001-10-09","2011-06-04","2'-deoxy-5'-O-[(R)-hydroxy(methyl)phosphoryl]adenosine",""],["AHI","3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM","C4 H13 N4 O","N(/O)=C(/N)NCCC[NH3+];NC(NCCC[NH3+])=NO;C(C[NH3+])CNC(=NO)N","InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1","DESCARBOXY-NOR-N(OMEGA)-HYDROXY-L-ARGININE","2004-05-20","2020-06-17","3-(N''-hydroxycarbamimidamido)propan-1-aminium",""],["SMQ","SIMOCYCLINONE C4","C37 H38 O15","O=C(O)CCCCCCCCC(=O)OC1CC(OC(C)C1OC(=O)C)c6ccc5C(=O)C34OC4(C(O)CC2(O)CC(=CC(=O)C23O)C)C(O)c5c6O;C[CH]1O[CH](C[CH](OC(=O)C=CC=CC=CC=CC(O)=O)[CH]1OC(C)=O)c2ccc3C(=O)[C]45O[C]4([CH](O)C[C]6(O)CC(=CC(=O)[C]56O)C)[CH](O)c3c2O;CC1C(C(CC(O1)c2ccc3c(c2O)C(C45C(CC6(CC(=CC(=O)C6(C4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC(=O)C","InChI=1S/C37H38O15/c1-18-14-25(39)36(48)34(47,16-18)17-26(40)35-33(46)29-22(32(45)37(35,36)52-35)13-12-21(30(29)44)23-15-24(31(19(2)49-23)50-20(3)38)51-28(43)11-9-7-5-4-6-8-10-27(41)42/h4-14,19,23-24,26,31,33,40,44,46-48H,15-17H2,1-3H3,(H,41,42)/b6-4+,7-5+,10-8+,11-9+/t19-,23-,24-,26+,31-,33+,34-,35+,36-,37-/m1/s1","","2010-12-17","2011-06-04","(1R)-4-O-acetyl-1,5-anhydro-3-O-(9-carboxynonanoyl)-2,6-dideoxy-1-[(4aR,6S,6aS,7S,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl]-D-arabino-hexitol",""],["AHK","2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium","C24 H25 Cl N3","CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3","InChI=1S/C24H24ClN3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25)16-26-14-13-24-27-22-9-5-6-10-23(22)28-24/h3-12,15,26H,2,13-14,16H2,1H3,(H,27,28)/p+1","","2017-08-18","2018-02-23","2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium","2018-02-28"],["SMR","N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide","C29 H40 N4 O5 S","O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(Oc3c(c2cnnc2cc3)CC4)C5;CCOCCN(C[CH](O)CN1CCC[C]2(CCc3c(O2)ccc4[nH]ncc34)C1)[S](=O)(=O)c5c(C)cccc5C;CCOCCN(CC(CN1CCCC2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C","InChI=1S/C29H40N4O5S/c1-4-37-16-15-33(39(35,36)28-21(2)7-5-8-22(28)3)19-23(34)18-32-14-6-12-29(20-32)13-11-24-25-17-30-31-26(25)9-10-27(24)38-29/h5,7-10,17,23,34H,4,6,11-16,18-20H2,1-3H3,(H,30,31)/t23-,29+/m0/s1","","2011-02-10","2011-06-04","N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide",""],["AHL","N-HYDROXY-L-ARGININAMIDE","C6 H15 N5 O2","O=C(NO)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)C(=O)NO;[H]N=C(N)NCCCC(C(=O)NO)N","InChI=1S/C6H15N5O2/c7-4(5(12)11-13)2-1-3-10-6(8)9/h4,13H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1","L-ARGININE HYDROXAMATE","2006-03-07","2021-03-01","N-hydroxy-L-argininamide",""],["SMS","SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER","C9 H15 N O10 S2","O=S(=O)(OCC12OCC3OS(=O)(=O)OC3C2OC(O1)(C)C)N;CC1(C)O[CH]2[CH]3O[S](=O)(=O)O[CH]3CO[C]2(CO[S](N)(=O)=O)O1;CC1(OC2C3C(COC2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C","InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1","","2000-04-12","2011-06-04","[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetrahydro-5aH-[1,3,2]dioxathiolo[4,5-d][1,3]dioxolo[4,5-b]pyran-5a-yl]methyl sulfamate",""],["AHM","2,5-anhydro-1,6-di-O-phosphono-D-mannitol","C6 H14 O11 P2","O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O;C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1","2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE","1999-07-08","2020-07-17","2,5-anhydro-1,6-di-O-phosphono-D-mannitol",""],["SMT","2'-[(METHYLTHIO)ETHYLOXY]-THYMIDINE-5'-MONOPHOSPHATE","C13 H21 N2 O9 P S","P(=O)(O)(O)OCC1OC(C(C1O)OCCSC)N2C(=O)NC(=O)C(C)=C2;CSCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCSC","InChI=1S/C13H21N2O9PS/c1-7-5-15(13(18)14-11(7)17)12-10(22-3-4-26-2)9(16)8(24-12)6-23-25(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2002-09-10","2018-03-14","5-methyl-2'-O-[2-(methylsulfanyl)ethyl]uridine 5'-(dihydrogen phosphate)",""],["AHN","N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE","C7 H11 N3 O","O=C(NCCc1ncnc1)C;CC(=O)NCCc1c[nH]cn1;CC(=O)NCCc1c[nH]cn1","InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)","N-ACETYLHISTAMINE","2005-07-29","2020-06-17","N-[2-(1H-imidazol-4-yl)ethyl]acetamide",""],["SMU","[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese","C32 H20 Mn N4","c45ccc6C(c1ccccc1)=C7C=CC=8C=C2N9C(C=C2)=C(C3=[N+](C(C=C3)=C4)[Mn]9(n56)[N+]7=8)c%10ccccc%10;c1ccc(cc1)C2=C3C=CC4=[N+]3[Mn]56n7c(ccc27)C=C8C=CC(=[N+]58)C(=C9C=CC(=C4)[N]69)c%10ccccc%10;c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1","InChI=1S/C32H20N4.Mn/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24;/h1-20H;/q-2;+4/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-;","","2020-08-13","2021-01-08","[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese(2+)","2021-01-13"],["AHO","N-ACETYL-N-HYDROXY-L-ORNITHINE","C7 H14 N2 O4","O=C(N(O)CCCC(N)C(=O)O)C;CC(=O)N(O)CCC[CH](N)C(O)=O;CC(=O)N(CCCC(C(=O)O)N)O","InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1","5-(ACETYL-HYDROXY-AMINO)-2-AMINO-PENTANOIC ACID","1999-08-13","2024-09-27","N~5~-acetyl-N~5~-hydroxy-L-ornithine",""],["SMV","thiophene-2-carbothioamide","C5 H5 N S2","NC(=S)c1sccc1;c1cc(sc1)C(=S)N","InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)","","2020-03-11","2020-07-17","thiophene-2-carbothioamide","2020-07-22"],["AHP","2-AMINO-HEPTANOIC ACID","C7 H15 N O2","O=C(O)C(N)CCCCC;CCCCC[CH](N)C(O)=O;CCCCCC(C(=O)O)N","InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1","","2000-06-15","2024-09-27","(2S)-2-aminoheptanoic acid",""],["SMW","(2S)-2-amino-3-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid","C51 H92 N4 O18 P2","CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(O)(OC[CH](N)C(O)=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(O)(O)(OCC(C(=O)O)N)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C51H92N4O18P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(56)67-37-41(71-46(57)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-69-75(65,66,70-39-42(52)50(60)61)73-74(63,64)68-40-43-47(58)48(59)49(72-43)55-36-35-44(53)54-51(55)62/h17-20,35-36,41-43,47-49,58-59,65-66H,3-16,21-34,37-40,52H2,1-2H3,(H,60,61)(H,63,64)(H2,53,54,62)/b19-17-,20-18-/t41-,42+,43-,47-,48-,49-/m1/s1","(2~{S})-2-azanyl-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[(2~{R})-2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propoxy]-bis(oxidanyl)-$l^{5}-phosphanyl]oxy-propanoic acid","2020-11-25","2021-12-03","(2~{S})-2-azanyl-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[(2~{R})-2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propoxy]-bis(oxidanyl)-$l^{5}-phosphanyl]oxy-propanoic acid","2021-12-08"],["AHQ","(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid","C14 H14 N2 O8","O=C(O)C3Nc1c(c(O)c(O)c2c1C(C(=O)O)CC(C(=O)O)N2)C3;OC(=O)[CH]1C[CH](C(O)=O)c2c(N1)c(O)c(O)c3C[CH](Nc23)C(O)=O;C1c2c(c3c(c(c2O)O)NC(CC3C(=O)O)C(=O)O)NC1C(=O)O","InChI=1S/C14H14N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h3,5-6,15-18H,1-2H2,(H,19,20)(H,21,22)(H,23,24)/t3-,5-,6+/m1/s1","","2009-06-02","2011-06-04","(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid",""],["SMX","(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","C18 H18 N6 O5 S2","O=C(O)C=2N4C(=O)C(NC(=O)C(O)c1ccccc1)C4SCC=2CSc3nnnn3C;Cn1nnnc1SCC2=C(N3[CH](SC2)[CH](NC(=O)[CH](O)c4ccccc4)C3=O)C(O)=O;Cn1c(nnn1)SCC2=C(N3C(C(C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O","InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1","CEFAMANDOLE, free form","2010-09-17","2021-03-13","(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["AHR","alpha-L-arabinofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1","alpha-L-arabinose; L-arabinose; arabinose","2002-04-23","2024-09-27","alpha-L-arabinofuranose",""],["SMY","(2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine","C22 H26 N6 O S","O=C(N3CCN(c1ncnc2c1C(SC2)C)CC3)C(N)Cc5c4ccccc4nc5;C[CH]1SCc2ncnc(N3CCN(CC3)C(=O)[CH](N)Cc4c[nH]c5ccccc45)c12;CC1c2c(ncnc2N3CCN(CC3)C(=O)C(Cc4c[nH]c5c4cccc5)N)CS1","InChI=1S/C22H26N6OS/c1-14-20-19(12-30-14)25-13-26-21(20)27-6-8-28(9-7-27)22(29)17(23)10-15-11-24-18-5-3-2-4-16(15)18/h2-5,11,13-14,17,24H,6-10,12,23H2,1H3/t14-,17+/m0/s1","","2010-09-20","2011-06-04","(2R)-2-amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one",""],["AHS","(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTYL)-ISOBUTYL-CARBAMIC ACID","C15 H30 N2 O3","O=C(O)N(CC(C)C)CC(O)C(N)CC1CCCCC1;CC(C)CN(C[CH](O)[CH](N)CC1CCCCC1)C(O)=O;CC(C)CN(CC(C(CC1CCCCC1)N)O)C(=O)O","InChI=1S/C15H30N2O3/c1-11(2)9-17(15(19)20)10-14(18)13(16)8-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,19,20)/t13-,14-/m0/s1","","1999-07-08","2011-06-04","[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamic acid",""],["SMZ","N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine","C7 H15 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])SC;CSC(=N)NCCC[CH](N)C(O)=O;[H]N=C(NCCCC(C(=O)O)N)SC","InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1","S-methyl-L-thiocitrulline","2008-01-15","2024-09-27","N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine",""],["AHT","4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL","C11 H18 N2 O2","Oc1ccc(cc1)CC(N)CCC(O)N;N[CH](O)CC[CH](N)Cc1ccc(O)cc1;c1cc(ccc1CC(CCC(N)O)N)O","InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1","","1999-07-08","2011-06-04","4-[(2R,5S)-2,5-diamino-5-hydroxypentyl]phenol",""],["SN0","N-(3-CARBOXYPROPANOYL)-L-NORVALINE","C9 H15 N O5","O=C(NC(C(=O)O)CCC)CCC(=O)O;CCC[CH](NC(=O)CCC(O)=O)C(O)=O;CCCC(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1","","2006-01-16","2011-06-04","N-(3-carboxypropanoyl)-L-norvaline",""],["AHU","1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL","C10 H13 I N2 O5","IC1=CN(C(=O)NC1=O)C2CC(O)C(OC2)CO;OC[CH]1OC[CH](C[CH]1O)N2C=C(I)C(=O)NC2=O;C1C(COC(C1O)CO)N2C=C(C(=O)NC2=O)I","InChI=1S/C10H13IN2O5/c11-6-2-13(10(17)12-9(6)16)5-1-7(15)8(3-14)18-4-5/h2,5,7-8,14-15H,1,3-4H2,(H,12,16,17)/t5-,7-,8+/m0/s1","","1999-07-08","2011-06-04","1,5-anhydro-2,3-dideoxy-2-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-D-arabino-hexitol",""],["SN1","2,4-DIHYDROXY-TRANS CINNAMIC ACID","C9 H8 O4","O=C(O)/C=C/c1ccc(O)cc1O;OC(=O)C=Cc1ccc(O)cc1O;c1cc(c(cc1O)O)C=CC(=O)O","InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+","","2001-10-05","2011-06-04","(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid",""],["AHW","2-ethyl-7-methoxy-naphthalene","C13 H14 O","CCc1ccc2ccc(OC)cc2c1;CCc1ccc2ccc(cc2c1)OC","InChI=1S/C13H14O/c1-3-10-4-5-11-6-7-13(14-2)9-12(11)8-10/h4-9H,3H2,1-2H3","","2017-08-21","2017-10-27","2-ethyl-7-methoxy-naphthalene","2017-11-01"],["SN2","5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE","C11 H12 Cl2 N4 O5","[O-][N+](=O)c1c(cc(N(CCCl)CCCl)c(c1)[N+]([O-])=O)C(=O)N;NC(=O)c1cc(N(CCCl)CCCl)c(cc1[N+]([O-])=O)[N+]([O-])=O;c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N","InChI=1S/C11H12Cl2N4O5/c12-1-3-15(4-2-13)9-5-7(11(14)18)8(16(19)20)6-10(9)17(21)22/h5-6H,1-4H2,(H2,14,18)","","2003-03-11","2011-06-04","5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide",""],["AHX","SERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE","C13 H20 N7 O9 P","O=P(O)(ONC(=O)C(N)CO)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CO)C(=O)NO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)ONC(=O)C(CO)N)O)O)N","InChI=1S/C13H20N7O9P/c14-5(1-21)12(24)19-29-30(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H,25,26)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1","","1999-07-08","2011-06-04","5'-O-{(S)-hydroxy[(L-serylamino)oxy]phosphoryl}adenosine",""],["SN3","(R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTA\nHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE","C26 H43 Cl N6 O10 S","O=S(=O)(O)OCC(OC)C(=O)NC(C(=O)N2C(C(=O)NCCC1=CCN(C(=[N@H])N)C1)CC3CC(O)C(O)CC23)C(Cl)C(C)C;CO[CH](CO[S](O)(=O)=O)C(=O)N[CH]([CH](Cl)C(C)C)C(=O)N1[CH]2C[CH](O)[CH](O)C[CH]2C[CH]1C(=O)NCCC3=CCN(C3)C(N)=N;CC(C)C(C(C(=O)N1C2CC(C(CC2CC1C(=O)NCCC3=CCN(C3)C(=N)N)O)O)NC(=O)C(COS(=O)(=O)O)OC)Cl","InChI=1S/C26H43ClN6O10S/c1-13(2)21(27)22(31-24(37)20(42-3)12-43-44(39,40)41)25(38)33-16-10-19(35)18(34)9-15(16)8-17(33)23(36)30-6-4-14-5-7-32(11-14)26(28)29/h5,13,15-22,34-35H,4,6-12H2,1-3H3,(H3,28,29)(H,30,36)(H,31,37)(H,39,40,41)/t15-,16+,17+,18+,19+,20-,21-,22-/m1/s1","CHLORODYSINOSIN","2006-03-29","2020-06-17","(2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chloro-4-methyl-1-oxopentan-2-yl}amino)-2-methoxy-3-oxopropyl hydrogen sulfate (non-preferred name)",""],["AHY","(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID","C10 H21 N O3","O=C(O)C(O)C(N)CCCCCCC;CCCCCCC[CH](N)[CH](O)C(O)=O;CCCCCCCC(C(C(=O)O)O)N","InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1","","2006-11-06","2024-09-27","(2S,3R)-3-amino-2-hydroxydecanoic acid",""],["SN4","6-methoxypyridine-3-carbothioamide","C7 H8 N2 O S","COc1ccc(cn1)C(N)=S;COc1ccc(cn1)C(=S)N","InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)","","2020-03-11","2020-07-17","6-methoxypyridine-3-carbothioamide","2020-07-22"],["AHZ","ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID","C17 H19 N6 O12 P2 S","O=C([O-])c1nc(c(s1)CCOP([O-])(=O)OP([O-])(=O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C;Cc1nc(sc1CCO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C([O-])=O;Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/p-3/t8-,11-,12-,16-/m1/s1","","2003-12-09","2012-01-05","5'-O-[({[2-(2-carboxylato-4-methyl-1,3-thiazol-5-yl)ethoxy]phosphinato}oxy)phosphinato]adenosine",""],["SN5","2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose","C8 H15 N O5 S","S=C(NC1C(O)C(O)C(OC1O)CO)C;CC(=S)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CC(=S)NC1C(C(C(OC1O)CO)O)O","InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1","N-ethanethioyl-beta-D-glucosamine; 2-deoxy-2-(ethanethioylamino)-beta-D-glucose;\n2-deoxy-2-(ethanethioylamino)-D-glucose; 2-deoxy-2-(ethanethioylamino)-glucose","2009-06-04","2020-07-17","2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose",""],["AI","(2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]","C44 H64 N8 O6","O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)CC4CCCCC4)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1ccccn1)C(=O)N[CH](CC2CCCCC2)[CH](O)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)N(C)Cc4ccccn4)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(CC2CCCCC2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4","InChI=1S/C44H64N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7,9-10,13-18,21-24,29-30,32,35-40,53-54H,8,11-12,19-20,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40-/m0/s1","","2006-02-03","2011-06-04","(2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)",""],["SN6","1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM","C29 H27 N5 O","O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C;C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3)cc2)cc1;C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C","InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2","SN6999","1999-07-08","2021-03-01","1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium",""],["AI0","1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide","C17 H14 N2 O2","Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12;c1ccc(cc1)C[N+](=Cc2ccc3cccc(c3n2)O)[O-]","InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12-","(Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide","2021-11-26","2022-11-25","1-(8-oxidanylquinolin-2-yl)-~{N}-(phenylmethyl)methanimine oxide","2022-11-30"],["SN7","4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE","C29 H29 N7 O","O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C;C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3N)cc2)cc1;C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C","InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2","SN7167","1999-07-08","2021-03-01","6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium",""],["AI1","N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE","C20 H23 N O7","O=C(NCc1ccccc1)c3cc(OC2OC(C(O)C(O)C2O)CO)ccc3;OC[CH]1O[CH](Oc2cccc(c2)C(=O)NCc3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)CNC(=O)c2cccc(c2)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C20H23NO7/c22-11-15-16(23)17(24)18(25)20(28-15)27-14-8-4-7-13(9-14)19(26)21-10-12-5-2-1-3-6-12/h1-9,15-18,20,22-25H,10-11H2,(H,21,26)/t15-,16+,17+,18-,20+/m1/s1","N-BENZYL-3-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE; BMSC001;\n3-BENZYLAMINOCARBONYLPHENYL-ALPHA-D-GALACTOSIDE; BAPG","2000-07-20","2020-06-17","N-benzyl-3-(alpha-D-galactopyranosyloxy)benzamide",""],["SN8","1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM","C30 H47 N5 O","O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5;CN1CCC(CC1)N[CH]2CC[CH](CC2)NC(=O)[CH]3CC[CH](CC3)NC4=CCN(C)c5ccc(C)cc45;Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C","InChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22?,23-,24?,25+","SN8315","2005-05-20","2021-03-01","trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide",""],["AI2","3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL","C5 H10 B O7","OC1C2(O[B-](OC2(OC1)C)(O)O)O;C[C]12OC[CH](O)[C]1(O)O[B-](O)(O)O2;[B-]1(OC2(C(O1)(C(CO2)O)O)C)(O)O","InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1","(2S,3R,4S)-2-METHYL-3,4-DIHYDROXY-OXOLAN-2,3-DIOXY-BORATE","2001-09-13","2021-03-13","dihydroxy[(2S,3R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrolato(2-)-kappa~2~O~2~,O~3~]borate(1-) (non-preferred name)",""],["SN9","8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM","C30 H47 N5 O2","O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cccc(OC)c3N(C)CC=4)CC5;COc1cccc2C(=CCN(C)c12)N[CH]3CC[CH](CC3)C(=O)N[CH]4CC[CH](CC4)NC5CCN(C)CC5;CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C","InChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23+,24?","SN8224","2005-05-20","2020-06-17","cis-4-[(8-methoxy-1-methyl-1,2-dihydroquinolin-4-yl)amino]-N-{trans-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide",""],["AI3","2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM","C19 H16 N O4","O1c2c(OC1)cc5c(c2)c3c(c4c(c[nH+]3)cc(OC)c(OC)c4)C5;COc1cc2c[nH+]c3c(Cc4cc5OCOc5cc34)c2cc1OC;COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5","InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3/p+1","AI-III-52","2004-10-06","2020-06-17","2,3-dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium",""],["SNA","N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID","C32 H41 F4 N5 O13 P2 S","FC(F)(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)NCCCCCC(=O)NC(C(=O)N)CS)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)CC(=O)O)P(=O)(O)O;NC(=O)C(CS)NC(=O)CCCCCNC(=O)[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)Cc2ccc(cc2)C(F)(F)[P](O)(O)=O;c1cc(ccc1CC(C(=O)NCCCCCC(=O)NC(CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O","InChI=1S/C32H41F4N5O13P2S/c33-31(34,55(49,50)51)20-9-5-18(6-10-20)14-22(29(47)38-13-3-1-2-4-25(42)40-24(17-57)28(37)46)41-30(48)23(16-27(44)45)39-26(43)15-19-7-11-21(12-8-19)32(35,36)56(52,53)54/h5-12,22-24,57H,1-4,13-17H2,(H2,37,46)(H,38,47)(H,39,43)(H,40,42)(H,41,48)(H,44,45)(H2,49,50,51)(H2,52,53,54)/t22-,23?,24?/m0/s1","","2002-11-20","2011-06-04","N-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-L-alpha-aspartyl-N-(6-{[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino}-6-oxohexyl)-4-[difluoro(phosphono)methyl]-L-phenylalaninamide",""],["AI4","4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide","C33 H34 F N5 O4","COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCC(CC5)c6ccc(cc6)C(N)=O;Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)OCCCN5CCC(CC5)c6ccc(cc6)C(=O)N)OC","InChI=1S/C33H34FN5O4/c1-20-16-24-26(38-20)8-9-28(31(24)34)43-33-25-17-29(41-2)30(18-27(25)36-19-37-33)42-15-3-12-39-13-10-22(11-14-39)21-4-6-23(7-5-21)32(35)40/h4-9,16-19,22,38H,3,10-15H2,1-2H3,(H2,35,40)","","2022-03-16","2023-04-07","4-[1-[3-[4-[(4-fluoranyl-2-methyl-1~{H}-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide","2023-04-12"],["SNB","1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE","C16 H13 Br Cl N O","Brc3cccc(C1=NCCc2cc(OC)c(Cl)cc12)c3;COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl;COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br","InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3","","2009-02-08","2011-06-04","1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline",""],["AI5","(2~{S})-4-[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{R},3~{R},4~{R},5~{R})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid","C26 H39 N10 O12 P","N[CH](CCN(CCO[CH]1[CH](O)[CH](COP(O)O)O[CH]1N2C=CC(=NC2=O)N)CC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCN(CCC(C(=O)O)N)CCOC4C(C(OC4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N","InChI=1S/C26H39N10O12P/c27-12(25(40)41)1-4-34(5-2-13-17(37)19(39)23(47-13)36-11-32-16-21(29)30-10-31-22(16)36)7-8-45-20-18(38)14(9-46-49(43)44)48-24(20)35-6-3-15(28)33-26(35)42/h3,6,10-14,17-20,23-24,37-39,43-44H,1-2,4-5,7-9,27H2,(H,40,41)(H2,28,33,42)(H2,29,30,31)/t12-,13+,14+,17+,18+,19+,20+,23+,24+/m0/s1","","2021-11-08","2022-03-25","(2~{S})-4-[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{R},3~{R},4~{R},5~{R})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid","2022-03-30"],["SNC","S-NITROSO-CYSTEINE","C3 H6 N2 O3 S","O=C(O)C(N)CSN=O;N[CH](CSN=O)C(O)=O;C(C(C(=O)O)N)SN=O","InChI=1S/C3H6N2O3S/c4-2(3(6)7)1-9-5-8/h2H,1,4H2,(H,6,7)/t2-/m0/s1","","1999-07-08","2024-09-27","S-nitroso-L-cysteine",""],["AI6","N-tert-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide","C24 H32 N4 O2","CC(C)(C)[N+]([O-])=Cc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1;CC(C)(C)[N+](=Cc1ccc2cccc(c2n1)OCCCN3CCN(CC3)CC#C)[O-]","InChI=1S/C24H32N4O2/c1-5-12-26-14-16-27(17-15-26)13-7-18-30-22-9-6-8-20-10-11-21(25-23(20)22)19-28(29)24(2,3)4/h1,6,8-11,19H,7,12-18H2,2-4H3/b28-19-","(Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide","2021-11-26","2022-11-25","~{N}-~{tert}-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide","2022-11-30"],["SND","THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE","C21 H27 N7 O13 P2 S","NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N","InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1","","2001-04-26","2012-01-05","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate",""],["AI7","3-(heptyloxy)benzoic acid","C14 H20 O3","O=C(O)c1cc(OCCCCCCC)ccc1;CCCCCCCOc1cccc(c1)C(O)=O;CCCCCCCOc1cccc(c1)C(=O)O","InChI=1S/C14H20O3/c1-2-3-4-5-6-10-17-13-9-7-8-12(11-13)14(15)16/h7-9,11H,2-6,10H2,1H3,(H,15,16)","3-heptyloxybenzoate","2006-12-07","2021-03-01","3-(heptyloxy)benzoic acid",""],["SNE","Sabinene","C10 H16","C=C1/CCC2(C(C)C)CC12;CC(C)[C]12CCC(=C)[CH]1C2;CC(C)C12CCC(=C)C1C2","InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1","(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane","2014-11-06","2021-03-13","(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane","2015-01-28"],["AI8","Ceftaroline, bound form","C22 H23 N8 O5 S4","[O-]C(=O)C=3NC(SCC=3Sc2nc(c1cc[n+](cc1)C)cs2)C(C=O)NC(=O)C(=NOCC)/c4nc(sn4)N;CCON=C(C(=O)N[CH](C=O)[CH]1NC(=C(CS1)Sc2scc(n2)c3cc[n+](C)cc3)C(O)=O)c4nsc(N)n4;CCON=C(c1nc(sn1)N)C(=O)NC(C=O)C2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O","InChI=1S/C22H22N8O5S4/c1-3-35-28-16(17-27-21(23)39-29-17)18(32)24-12(8-31)19-26-15(20(33)34)14(10-36-19)38-22-25-13(9-37-22)11-4-6-30(2)7-5-11/h4-9,12,19,26H,3,10H2,1-2H3,(H3-,23,24,27,29,32,33,34)/t12-,19-/m1/s1","","2012-12-13","2024-09-27","(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-2-oxoethyl]-5-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylate","2013-10-09"],["AI9","[(2R,3S,4S,5E)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C9 H15 N4 O9 P","O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N;NC1=C(NC(=O)NC1=O)N=C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C=NC1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O","InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4+,6-/m0/s1","","2012-10-05","2013-02-15","(2R,3S,4S,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name)","2013-02-15"],["SNF","(N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt","C15 H16 N4 Ni","c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5;[Ni]|1|2|3|N(=Cc4ccccn|14)C[CH](C)N|2=Cc5ccccn|35;CC1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3","InChI=1S/C15H16N4.Ni/c1-13(19-12-15-7-3-5-9-18-15)10-16-11-14-6-2-4-8-17-14;/h2-9,11-13H,10H2,1H3;/b16-11+,19-12+;/t13-;/m1./s1","","2013-06-12","2014-05-23","{N,N'-propane-1,2-diylbis[1-(pyridin-2-yl-kappaN)methanimine-kappaN]}nickel","2014-05-28"],["SNG","methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside","C9 H17 N O5 Se","O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C;C[Se][CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C(C(OC1[Se]C)CO)O)O","InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1","METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE; methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucoside;\nmethyl 2-acetamido-2-deoxy-1-seleno-D-glucoside; methyl 2-acetamido-2-deoxy-1-seleno-glucoside","2002-12-20","2020-07-17","methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside",""],["AIA","(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE","C14 H23 N3 O","O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2;NC[CH]1CC[CH](C#C)N1C(=O)[CH](N)C2CCCC2;C#CC1CCC(N1C(=O)C(C2CCCC2)N)CN","InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1","","2006-03-28","2024-09-27","(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine",""],["SNH","5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID","C19 H17 N O5 S3","O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1C)C)c3sc(C(=O)C)cc3;CC(=O)c1sc(cc1)c2sc(C(O)=O)c(N[S](=O)(=O)c3ccc(C)cc3C)c2;Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C","InChI=1S/C19H17NO5S3/c1-10-4-7-17(11(2)8-10)28(24,25)20-13-9-16(27-18(13)19(22)23)15-6-5-14(26-15)12(3)21/h4-9,20H,1-3H3,(H,22,23)","","2005-10-06","2011-06-04","5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid",""],["AIB","ALPHA-AMINOISOBUTYRIC ACID","C4 H9 N O2","O=C(O)C(N)(C)C;CC(C)(N)C(O)=O;CC(C)(C(=O)O)N","InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)","","1999-07-08","2024-09-27","2-methyl-L-alanine",""],["SNI","9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE","C10 H12 N4 O4 Se","[Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=[Se])NC=Nc23;c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=[Se]","InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1","SELENOINOSINE","2004-02-25","2021-03-01","9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone",""],["AIC","(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC\nACID","C16 H19 N3 O4 S","O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC2(C)C;CC1(C)S[CH]2[CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C(O)=O;CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccccc3)N)C(=O)O)C","InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1","AMPICILLIN; D(-)-ALPHA-AMINOBENZYLPENICILLIN; 6-[D(-)-ALPHA-AMINOPHENYLLACETAMIDO]PENICILLANIC ACID","2001-02-17","2020-06-17","(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["SNJ","2,5-diphenyl-4~{H}-pyrazol-3-one","C15 H12 N2 O","O=C1CC(=NN1c2ccccc2)c3ccccc3;c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3","InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2","","2020-03-11","2020-07-17","2,5-diphenyl-4~{H}-pyrazol-3-one","2020-07-22"],["AIE","3-ethanoyl-N-phenyl-benzamide","C15 H13 N O2","CC(=O)c1cccc(c1)C(=O)Nc2ccccc2;CC(=O)c1cccc(c1)C(=O)Nc2ccccc2","InChI=1S/C15H13NO2/c1-11(17)12-6-5-7-13(10-12)15(18)16-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,18)","AKOS000277907","2023-05-16","2024-09-27","3-ethanoyl-~{N}-phenyl-benzamide","2024-05-15"],["SNK","(2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid","C8 H11 N3 O3 S","CC(=O)Sc1nc[nH]c1C[CH](N)C(O)=O;CC(=O)Sc1c([nH]cn1)CC(C(=O)O)N","InChI=1S/C8H11N3O3S/c1-4(12)15-7-6(10-3-11-7)2-5(9)8(13)14/h3,5H,2,9H2,1H3,(H,10,11)(H,13,14)/t5-/m1/s1","","2020-11-25","2024-09-27","(2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid","2021-06-16"],["AIF","[(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate","C9 H15 N4 O9 P","O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N;NC1=C(NC(=O)NC1=O)N=C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(C=NC1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O","InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4-,6+/m1/s1","","2008-10-22","2011-06-04","(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name)",""],["SNL","SPIRONOLACTONE","C24 H32 O4 S","O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5;CC(=O)S[CH]1CC2=CC(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]45CCC(=O)O5)[CH]13;CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C","InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1","17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID; GAMMA-LACTONE ACETATE","2005-07-18","2020-05-27","S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate",""],["AIG","hexyl 3-amino-3-deoxy-beta-D-galactopyranoside","C12 H25 N O5","O(CCCCCC)C1OC(C(O)C(N)C1O)CO;CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O;CCCCCCOC1C(C(C(C(O1)CO)O)N)O","InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1","4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL; hexyl 3-amino-3-deoxy-beta-D-galactoside; hexyl\n3-amino-3-deoxy-D-galactoside; hexyl 3-amino-3-deoxy-galactoside","2003-10-27","2020-07-17","hexyl 3-amino-3-deoxy-beta-D-galactopyranoside",""],["SNM","N,N-dimethyl-L-serine","C5 H11 N O3","CN(C)[CH](CO)C(O)=O;CN(C)C(CO)C(=O)O","InChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1","","2017-12-12","2024-09-27","(2~{S})-2-(dimethylamino)-3-oxidanyl-propanoic acid","2018-05-30"],["AIH","(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-\nOL","C28 H31 N O4 S","O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CC(C)C(C)C3)cc4)cc(O)cc5;C[CH]1CN(CCOc2ccc(cc2)[CH]3Oc4ccc(O)cc4S[CH]3c5ccc(O)cc5)C[CH]1C;CC1CN(CC1C)CCOc2ccc(cc2)C3C(Sc4cc(ccc4O3)O)c5ccc(cc5)O","InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27-,28+/m0/s1","COMPOUND 15","2004-10-12","2020-06-17","(2S,3R)-2-(4-{2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol",""],["SNN","L-3-AMINOSUCCINIMIDE","C4 H6 N2 O2","O=C1NC(=O)C(N)C1;N[CH]1CC(=O)NC1=O;C1C(C(=O)NC1=O)N","InChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1","","1999-07-08","2024-09-27","(3S)-3-aminopyrrolidine-2,5-dione",""],["AII","2-propyl-1H-imidazole-4,5-dicarboxylic acid","C8 H10 N2 O4","CCCc1nc(C(=O)O)c([NH]1)C(=O)O;CCCc1[nH]c(C(O)=O)c(n1)C(O)=O;CCCc1[nH]c(c(n1)C(=O)O)C(=O)O","InChI=1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)","","2021-11-09","2026-02-06","2-propyl-1H-imidazole-4,5-dicarboxylic acid","2026-02-11"],["SNO","(S)-PARA-NITROSTYRENE OXIDE","C8 H7 N O3","[O-][N+](=O)c1ccc(cc1)C2OC2;[O-][N+](=O)c1ccc(cc1)[CH]2CO2;c1cc(ccc1C2CO2)[N+](=O)[O-]","InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m1/s1","(2S)-2-(4-NITROPHENYL)OXIRANE","2005-05-20","2021-03-01","(2S)-2-(4-nitrophenyl)oxirane",""],["AIJ","(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL","C27 H29 N O4 S","O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCC(N3CCCC3)C)cc4)cc(O)cc5;C[CH](COc1ccc(cc1)[CH]2Oc3ccc(O)cc3S[CH]2c4ccc(O)cc4)N5CCCC5;CC(COc1ccc(cc1)C2C(Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5","InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26-,27+/m0/s1","COMPOUND 18","2004-10-12","2020-06-17","(2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2S)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol",""],["SNP","1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL","C16 H21 N O2","OC(CNC(C)C)COc2cccc1ccccc12;CC(C)NC[CH](O)COc1cccc2ccccc12;CC(C)NCC(COc1cccc2c1cccc2)O","InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1","S-PROPRANOLOL","2000-01-26","2021-03-01","(2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol",""],["AIK","N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE","C25 H34 N8 O4 S","O=C(Nc1nc(C(=O)NCCCN(C)C)c(s1)C(C)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C;CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCCN(C)C;CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C","InChI=1S/C25H34N8O4S/c1-15(2)21-20(24(37)26-8-7-9-31(3)4)29-25(38-21)30-23(36)19-11-17(13-33(19)6)28-22(35)18-10-16(27-14-34)12-32(18)5/h10-15H,7-9H2,1-6H3,(H,26,37)(H,27,34)(H,28,35)(H,29,30,36)","","2003-12-05","2011-06-04","N-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(1-methylethyl)-1,3-thiazole-4-carboxamide",""],["SNQ","5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile","C11 H9 N3","Nc1ccc(n2cccc2)c(c1)C#N;c1ccn(c1)c2ccc(cc2C#N)N","InChI=1S/C11H9N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h1-7H,13H2","","2011-07-11","2020-04-17","5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile","2020-04-22"],["AIL","N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE","C13 H18 N4 O2 S2","O=C(N1CSCC1)C3NCC(CNC(=O)c2ncsc2)C3;O=C(NC[CH]1CN[CH](C1)C(=O)N2CCSC2)c3cscn3;c1c(ncs1)C(=O)NCC2CC(NC2)C(=O)N3CCSC3","InChI=1S/C13H18N4O2S2/c18-12(11-6-21-7-16-11)15-5-9-3-10(14-4-9)13(19)17-1-2-20-8-17/h6-7,9-10,14H,1-5,8H2,(H,15,18)/t9-,10-/m0/s1","","2007-01-18","2011-06-04","N-{[(3S,5S)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide",""],["SNR","NORBIOTIN","C9 H14 N2 O3 S","O=C1NC2C(SCC2N1)CCCC(=O)O;OC(=O)CCC[CH]1SC[CH]2NC(=O)N[CH]12;C1C2C(C(S1)CCCC(=O)O)NC(=O)N2","InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1","4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID","2002-04-10","2020-06-17","4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid",""],["AIM","4-(4-AMINO-CYCLOHEXYLIDENE)-4H-IMIDAZOL-2-YLAMINE","C9 H14 N4","N=2C(=C1/CCC(N)CC1)C=NC=2N;N[CH]1CC[C](CC1)=[C]2C=NC(=N2)N;C1CC(=C2C=NC(=N2)N)CCC1N","InChI=1S/C9H14N4/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h5,7H,1-4,10H2,(H2,11,13)/b8-6-/t7-/m1/s1","","1999-10-18","2011-06-04","(4Z)-4-[(4R)-4-aminocyclohexylidene]-4H-imidazol-2-amine",""],["SNS","3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine","C27 H31 F2 N5 O2","O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5;F[CH]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[CH](F)C5)cc4nc3c2)C1;c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCC(C4)F)NC(=O)CCN5CCC(C5)F","InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m0/s1","N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}","2010-07-27","2021-03-13","N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}",""],["AIN","2-(ACETYLOXY)BENZOIC ACID","C9 H8 O4","O=C(Oc1ccccc1C(=O)O)C;CC(=O)Oc1ccccc1C(O)=O;CC(=O)Oc1ccccc1C(=O)O","InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)","ACETYLSALICYLIC ACID; ASPIRIN","2004-04-08","2020-05-26","2-(acetyloxy)benzoic acid",""],["SNT","(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine","C23 H27 N5","N(=C/c1c(n(nc1C)c2ccccc2)C)N3CCN(CC3)Cc4ccccc4;Cc1nn(c2ccccc2)c(C)c1C=NN3CCN(CC3)Cc4ccccc4;Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4","InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+","SANT-1","2013-10-18","2020-06-17","(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine","2014-01-22"],["AIO","[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID","C13 H26 B N3 O4","O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC;CC[CH](C)[CH](NC(=O)[CH](C)N)C(=O)N1CCC[CH]1B(O)O;B(C1CCCN1C(=O)C(C(C)CC)NC(=O)C(C)N)(O)O","InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1","","2007-02-23","2024-09-27","[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid",""],["SNU","4-(1H-pyrrol-1-yl)aniline","C10 H10 N2","c1(ccc(cc1)n2cccc2)N;Nc1ccc(cc1)n2cccc2;c1ccn(c1)c2ccc(cc2)N","InChI=1S/C10H10N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,11H2","","2011-07-11","2013-01-25","4-(1H-pyrrol-1-yl)aniline","2013-01-25"],["AIQ","2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE","C12 H12 N6 O S","O=C1c2c(N=C(N)N1)c(cc(N)c2)CSc3nccn3;NC1=Nc2c(CSc3[nH]ccn3)cc(N)cc2C(=O)N1;c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N","InChI=1S/C12H12N6OS/c13-7-3-6(5-20-12-15-1-2-16-12)9-8(4-7)10(19)18-11(14)17-9/h1-4H,5,13H2,(H,15,16)(H3,14,17,18,19)","","2001-10-16","2011-06-04","2,6-diamino-8-[(1H-imidazol-2-ylsulfanyl)methyl]quinazolin-4(3H)-one",""],["SNV","2-[4-(2-aminophenyl)piperazin-1-yl]ethanol","C12 H19 N3 O","Nc1ccccc1N2CCN(CCO)CC2;c1ccc(c(c1)N)N2CCN(CC2)CCO","InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2","","2020-03-11","2020-07-17","2-[4-(2-aminophenyl)piperazin-1-yl]ethanol","2020-07-22"],["AIR","5-AMINOIMIDAZOLE RIBONUCLEOTIDE","C8 H14 N3 O7 P","O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O;Nc1cncn1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1c(n(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1","","1999-10-21","2024-09-27","1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine",""],["SNW","Deoxyfructosylglutamine","C11 H20 N2 O8","NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O;C1C(C(C(C(O1)(CNC(CCC(=O)N)C(=O)O)O)O)O)O","InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1","santhopine","2016-06-12","2020-06-17","(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{S},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]pentanoic acid","2016-09-21"],["AIS","5-AMINOIMIDAZOLE RIBONUCLEOSIDE","C8 H13 N3 O4","n1cc(n(c1)C2OC(C(O)C2O)CO)N;Nc1cncn1[CH]2O[CH](CO)[CH](O)[CH]2O;c1c(n(cn1)C2C(C(C(O2)CO)O)O)N","InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1","","2004-10-05","2011-06-04","1-beta-D-ribofuranosyl-1H-imidazol-5-amine",""],["SNX","2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide","C22 H23 N3 O3","O=C(N)c1ccc(cc1NCCOC)n3c4c(c2C(=O)CCCc23)cccc4;COCCNc1cc(ccc1C(N)=O)n2c3CCCC(=O)c3c4ccccc24;COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O","InChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27)","","2008-05-05","2011-06-04","2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide",""],["AIT","(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL","C27 H29 N O4 S","O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCC(N3CCCC3)C)cc4)cc(O)cc5;C[CH](COc1ccc(cc1)[CH]2Oc3ccc(O)cc3S[CH]2c4ccc(O)cc4)N5CCCC5;CC(COc1ccc(cc1)C2C(Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5","InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26+,27-/m1/s1","COMPOUND 19","2004-10-12","2021-03-01","(2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2R)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol",""],["SNY","(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal","C11 H12 O4","O=CC=Cc1cc(OC)c(O)c(OC)c1;COc1cc(C=CC=O)cc(OC)c1O;COc1cc(cc(c1O)OC)C=CC=O","InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+","Sinapaldehyde","2010-10-25","2021-03-01","(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal",""],["AIU","(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL","C28 H31 N O4 S","O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CC(C)C(C)C3)cc4)cc(O)cc5;C[CH]1CN(CCOc2ccc(cc2)[CH]3Oc4ccc(O)cc4S[CH]3c5ccc(O)cc5)C[CH]1C;CC1CN(CC1C)CCOc2ccc(cc2)C3C(Sc4cc(ccc4O3)O)c5ccc(cc5)O","InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27+,28-/m1/s1","COMPOUND 16","2004-10-13","2021-03-01","(2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol",""],["SNZ","N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea","C15 H16 N2 O5","N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O;Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O;c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O","InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22)","","2019-09-19","2020-09-11","N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea","2020-09-16"],["AIV","hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~N,O)vanadium(3+)","C12 H9 N2 O6 V","O=C4O[V+3]2(=O)(O)(OC(=O)c1[n+]2cccc1)[n+]3ccccc34;O[V+3]12(=O)(OC(=O)c3cccc[n+]13)OC(=O)c4cccc[n+]24;c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O","InChI=1S/2C6H5NO2.H2O.O.V/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);1H2;;/q;;;;+8/p-3","","2013-08-28","2014-09-05","hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~N,O)vanadium(5+)","2014-07-08"],["SO0","(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide","C23 H29 Cl2 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)cc1Cl;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)COc4ccc(Cl)cc4Cl;c1cc(c(cc1Cl)Cl)OCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)CO","InChI=1S/C23H29Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-14,16-17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1","","2023-08-28","2024-09-27","(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide","2024-08-28"],["AIW","phenylmethaneselenol","C7 H8 Se","[SeH]Cc1ccccc1;c1ccc(cc1)C[SeH]","InChI=1S/C7H8Se/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2","","2021-11-26","2022-08-22","phenylmethaneselenol","2022-03-16"],["SO1","[1R-(1.ALPHA.,3A.BETA.,4.BETA.,4A.BETA.,7.BETA.,7A.ALPHA.,8A.BETA.)]8A-[(6-DEOXY-4-O-METHYL-BETA-D-ALTROPYRANOSYLOXY)METHYL]-4-FORMYL-4,4A,5,6,7,7A,8,8A-OCTAHYDRO-7-METHYL-3-(1-METHYLETHYL)-1,4-METHANO-S-INDACENE-3A(1H)-CARBOXYLIC ACID","C27 H42 O8","O=C(O)C53C4(COC1OC(C(OC)C(O)C1O)C)CC2C(C)CCC2C3(C=O)CC4CC5C(C)C;CO[CH]1[CH](C)O[CH](OC[C]23C[CH]4[CH](C)CC[CH]4[C]5(C[CH]2C[CH](C(C)C)[C]35C(O)=O)C=O)[CH](O)[CH]1O;CC1CCC2C1CC3(C4CC(C3(C2(C4)C=O)C(=O)O)C(C)C)COC5C(C(C(C(O5)C)OC)O)O","InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/t14-,15-,16+,17-,18-,19?,20+,21+,22-,23-,25+,26+,27+/m1/s1","SORDARIN","2003-01-20","2021-03-01","(1S,3R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-beta-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(1-methylethyl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid",""],["AIX","(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H21 N3 O4 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=O)O)C","InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14-/m1/s1","AMPICILLIN (open form)","2009-07-02","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["SO2","SULFUR DIOXIDE","O2 S","O=S=O;O=[S]=O;O=S=O","InChI=1S/O2S/c1-3-2","","1999-07-08","2024-09-27","oxosulfane oxide",""],["AIY","(9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one","C18 H16 O7","CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C]2(C)C1=O;Cc1c(c(c2c(c1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O","InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1","(+)-Usnic acid; (+)-Usniacin","2022-03-17","2022-05-27","(9~{b}~{R})-2,6-diethanoyl-8,9~{b}-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one","2022-06-01"],["SO3","SULFITE ION","O3 S","[O-]S([O-])=O;[O-][S]([O-])=O;[O-]S(=O)[O-]","InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2","","1999-07-08","2024-09-27","sulfite",""],["AIZ","3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID","C26 H26 Cl N5 O3","Clc1ccccc1Nc2ccc3c(c2)nnc3c4cc(C(=O)O)cc(NC(=O)CCCN(C)C)c4;CN(C)CCCC(=O)Nc1cc(cc(c1)c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)C(O)=O;CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl","InChI=1S/C26H26ClN5O3/c1-32(2)11-5-8-24(33)29-19-13-16(12-17(14-19)26(34)35)25-20-10-9-18(15-23(20)30-31-25)28-22-7-4-3-6-21(22)27/h3-4,6-7,9-10,12-15,28H,5,8,11H2,1-2H3,(H,29,33)(H,30,31)(H,34,35)","","2005-09-26","2011-06-04","3-{6-[(2-chlorophenyl)amino]-1H-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid",""],["SO4","SULFATE ION","O4 S","[O-]S([O-])(=O)=O;[O-][S]([O-])(=O)=O;[O-]S(=O)(=O)[O-]","InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2","","1999-07-08","2011-06-04","sulfate",""],["AJ1","N-(2-METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE","C10 H11 N3 O S","O=C(Nc1ccc2nc(sc2c1)NC)C;CNc1sc2cc(NC(C)=O)ccc2n1;CC(=O)Nc1ccc2c(c1)sc(n2)NC","InChI=1S/C10H11N3OS/c1-6(14)12-7-3-4-8-9(5-7)15-10(11-2)13-8/h3-5H,1-2H3,(H,11,13)(H,12,14)","","2012-02-15","2014-09-05","N-[2-(methylamino)-1,3-benzothiazol-6-yl]acetamide",""],["SO5","(2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid","C24 H40 N7 O21 P3 S","O=S(=O)(O)C(C)C(=O)OCCNC(CCNC(=O)C(C(C)(COP(O)(=O)OP(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(C3OP(O)(O)=O)O)C)O)=O;C[CH](C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[S](O)(=O)=O;CC(C(=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O","InChI=1S/C24H40N7O21P3S/c1-12(56(44,45)46)23(36)47-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-49-55(42,43)52-54(40,41)48-8-13-17(51-53(37,38)39)16(33)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13-,16-,17-,18+,22-/m1/s1","","2018-12-03","2019-04-05","(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)","2019-04-10"],["AJ2","4-methylquinolin-2-ol","C10 H9 N O","Oc1nc2ccccc2c(c1)C;Cc1cc(O)nc2ccccc12;Cc1cc(nc2c1cccc2)O","InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)","","2013-01-29","2013-07-05","4-methylquinolin-2-ol","2013-07-10"],["SO7","(3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide","C14 H18 N2 O4","CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)cc2;CN(C(=O)C1CC(=O)N(C1)c2ccc(cc2)OC)OC","InChI=1S/C14H18N2O4/c1-15(20-3)14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1","","2020-03-11","2020-07-17","(3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide","2020-07-22"],["AJ3","3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL","C6 H10 O S2","O=S(CC=C)CC=CS;SC=CC[S](=O)CC=C;C=CCS(=O)CC=CS","InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1","","1999-07-08","2024-09-27","(1E)-3-[(R)-prop-2-en-1-ylsulfinyl]prop-1-ene-1-thiol",""],["SO8","2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE","C16 H25 N7 O4","CC[CH](C)[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23;CCC(C)C(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N","InChI=1S/C16H25N7O4/c1-3-7(2)9(17)15(26)22-10-12(25)8(4-24)27-16(10)23-6-21-11-13(18)19-5-20-14(11)23/h5-10,12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,10+,12+,16+/m0/s1","","2015-11-24","2016-07-29","(2S,3S)-N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-3-methyl-pentanamide","2016-08-03"],["AJ4","7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one","C16 H12 F N O","Fc3ccccc3c1ccc2c(c1)NC(=O)C=C2C;CC1=CC(=O)Nc2cc(ccc12)c3ccccc3F;CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F","InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)","","2013-01-29","2013-06-21","7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one","2013-06-26"],["SO9","(1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide","C25 H26 N6 O2 S","NC(=O)C1C2C=CC(C2)C1Nc1nc(nc2ccsc12)Nc1cc(ccc1)C(=O)N1CCCC1;NC(=O)[CH]1[CH]2C[CH](C=C2)[CH]1Nc3nc(Nc4cccc(c4)C(=O)N5CCCC5)nc6ccsc36;c1cc(cc(c1)Nc2nc3ccsc3c(n2)NC4C5CC(C4C(=O)N)C=C5)C(=O)N6CCCC6","InChI=1S/C25H26N6O2S/c26-22(32)19-14-6-7-15(12-14)20(19)29-23-21-18(8-11-34-21)28-25(30-23)27-17-5-3-4-16(13-17)24(33)31-9-1-2-10-31/h3-8,11,13-15,19-20H,1-2,9-10,12H2,(H2,26,32)(H2,27,28,29,30)/t14-,15+,19+,20-/m1/s1","","2022-07-07","2022-07-29","(1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide","2022-08-03"],["AJ5","3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide","C20 H19 Cl N2 O3","O=C(NCCOC)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3;COCCNC(=O)c1ccc(c(Cl)c1)c2ccc3C(=CC(=O)Nc3c2)C;CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC","InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)","","2013-02-12","2013-06-21","3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide","2013-06-26"],["SOA","ISATOIC ANHYDRIDE","C7 H9 N O","OCc1ccccc1N;Nc1ccccc1CO;c1ccc(c(c1)CO)N","InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2","","1999-07-08","2024-09-27","(2-aminophenyl)methanol",""],["AJ6","7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one","C16 H13 Cl N2 O","Clc3cc(N)ccc3c1ccc2c(c1)NC(=O)C=C2C;CC1=CC(=O)Nc2cc(ccc12)c3ccc(N)cc3Cl;CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N","InChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20)","","2013-02-22","2013-06-21","7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one","2013-06-26"],["SOC","DIOXYSELENOCYSTEINE","C3 H7 N O4 Se","O=C(O)C(N)C[SeH](=O)=O;N[CH](C[SeH](=O)=O)C(O)=O;C(C(C(=O)O)N)[SeH](=O)=O","InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2023-09-16","3-(dioxidoselanyl)-L-alanine",""],["AJ7","3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide","C23 H24 Cl N3 O3","O=C2C=C(c1ccc(cc1N2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4)C;CC1=CC(=O)Nc2cc(ccc12)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4;CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4","InChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28)","","2013-02-22","2013-06-21","3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide","2013-06-26"],["SOD","(1S,4S,5S,6R,9S,11S)-6-CHLORO-9-FORMYL-13-ISOPROPYL-5-METHYL-2-({[(3AR,5R,7R ,7AS)-7-METHYL-3-METHYLENEHEXAHYDRO-2H-FURO[2,3-C]PYRAN-5-YL]OXY}METHYL)TETR ACYCLO[7.4.0.02,11.04,8]TRIDEC-12-ENE-1-CARBOXYLIC ACI","C29 H39 Cl O6","ClC6CC2C(CC3(C1C=C(C(C)C)C3(C(=O)O)C2(C=O)C1)COC5OC(C4OC/C(=C)C4C5)C)C6C;CC(C)C1=C[CH]2C[C]3(C=O)[CH]4C[CH](Cl)[CH](C)[CH]4C[C]2(CO[CH]5C[CH]6[CH](OCC6=C)[CH](C)O5)[C]13C(O)=O;CC1C(CC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5CC6C(C(O5)C)OCC6=C)Cl","InChI=1S/C29H39ClO6/c1-14(2)21-6-18-9-27(12-31)22-8-23(30)16(4)20(22)10-28(18,29(21,27)26(32)33)13-35-24-7-19-15(3)11-34-25(19)17(5)36-24/h6,12,14,16-20,22-25H,3,7-11,13H2,1-2,4-5H3,(H,32,33)/t16-,17+,18-,19-,20+,22+,23+,24+,25+,27-,28-,29-/m0/s1","","2006-11-06","2011-06-04","(1R,3aR,4S,4aR,6R,7S,7aS,8aS)-6-chloro-4-formyl-7-methyl-3-(1-methylethyl)-8a-({[(3aS,5R,7R,7aS)-7-methyl-3-methylidenehexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid",""],["AJ8","3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid","C17 H12 Cl N O3","O=C(O)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3;CC1=CC(=O)Nc2cc(ccc12)c3ccc(cc3Cl)C(O)=O;CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O","InChI=1S/C17H12ClNO3/c1-9-6-16(20)19-15-8-10(2-4-12(9)15)13-5-3-11(17(21)22)7-14(13)18/h2-8H,1H3,(H,19,20)(H,21,22)","","2013-02-22","2013-06-21","3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid","2013-06-26"],["SOE","alpha-L-sorbopyranose","C6 H12 O6","OC1C(O)(OCC(O)C1O)CO;OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1","alpha-L-sorbose; L-sorbose; sorbose; L-sorbose in pyranose form","2010-05-14","2020-07-17","alpha-L-sorbopyranose",""],["AJ9","3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one","C24 H27 N O3","CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O;CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C","InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3","7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one","2021-11-29","2022-08-22","3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one","2022-04-06"],["SOF","2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone","C25 H33 N3 O2","CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4;CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4","InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3","","2016-01-28","2016-09-16","1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone","2016-09-21"],["AJA","(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID","C25 H36 O4","O=C(O)C3=CCC1C(c2c(OC1(C)C)cc(cc2O)C(C)(C)CCCCCC)C3;CCCCCCC(C)(C)c1cc(O)c2[CH]3CC(=CC[CH]3C(C)(C)Oc2c1)C(O)=O;CCCCCCC(C)(C)c1cc(c2c(c1)OC(C3C2CC(=CC3)C(=O)O)(C)C)O","InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1","AJULEMIC ACID; CT-3; IP-751; 1',1'-DIMETHYLHEPTYL-DELTA8-TETRAHYDROCANNABINOL-11-OIC ACID","2007-02-02","2020-06-17","(6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid",""],["SOG","octyl 1-thio-beta-D-glucopyranoside","C14 H28 O5 S","S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCCS[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1","2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL; 1-S-OCTYL-BETA-D-THIOGLUCOSIDE; octyl\n1-thio-beta-D-glucoside; octyl 1-thio-D-glucoside; octyl 1-thio-glucoside","2003-01-21","2020-07-17","octyl 1-thio-beta-D-glucopyranoside",""],["AJB","2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide","C14 H14 N6 O S2","O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3N;Cn1cnnc1Sc2ccc(N)c(c2)C(=O)Nc3scc(C)n3;Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C","InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)","2-amino-5-(4-methyl-4H-[1,2,4]triazole-3-yl-sulfanyl)-N-(4-methyl-thiazole-2-yl)benzamide","2009-01-08","2020-06-17","2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",""],["SOH","HYDROGEN SULFATE","H O4 S","[O-]S(=O)(=O)O;O[S]([O-])(=O)=O;OS(=O)(=O)[O-]","InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1","HYDROSULFATE ION","2004-02-27","2011-08-06","hydrogen sulfate",""],["AJD","5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid","C12 H15 Br N2 O2","O=C(O)c2c(NC1CCCNC1)ccc(Br)c2;OC(=O)c1cc(Br)ccc1N[CH]2CCCNC2;c1cc(c(cc1Br)C(=O)O)NC2CCCNC2","InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1","","2009-09-16","2011-06-04","5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid",""],["SOI","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide","C23 H23 Cl N4 O2 S","NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Oc4ccc(Cl)cc4)c2;c1cc(cc(c1)NC(=O)C2(CCNCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N","InChI=1S/C23H23ClN4O2S/c24-17-4-6-19(7-5-17)30-23(8-10-27-11-9-23)22(29)28-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14,27H,8-11H2,(H3,25,26)(H,28,29)","","2022-12-19","2023-07-28","~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide","2023-08-02"],["AJE","(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid","C9 H14 N2 O5","O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O;N[CH]1CN(C[CH]1C(O)=O)C(=O)CCC(O)=O;C1C(C(CN1C(=O)CCC(=O)O)N)C(=O)O","InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1","","2015-02-04","2024-09-27","(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid","2015-09-09"],["SOJ","~{N}4-phenylbenzene-1,4-diamine","C12 H12 N2","Nc1ccc(Nc2ccccc2)cc1;c1ccc(cc1)Nc2ccc(cc2)N","InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2","","2020-03-11","2020-07-17","~{N}4-phenylbenzene-1,4-diamine","2020-07-22"],["AJF","methyl (2S)-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate","C19 H19 N O4","COC(=O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O;CC(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(=O)OC","InChI=1S/C19H19NO4/c1-13(21)15-9-6-10-16(12-15)18(22)20-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12,17H,11H2,1-2H3,(H,20,22)/t17-/m0/s1","","2023-05-16","2024-09-27","methyl (2~{S})-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate","2024-05-15"],["SOK","3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one","C16 H15 Cl N2 O","Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl;Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O","InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3","","2020-11-25","2022-06-03","3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one","2022-06-08"],["AJG","N-(6-CYANO-3H-1,3-BENZOTHIAZOL-2-YLIDENE)ETHANAMIDE","C10 H7 N3 O S","CC(=O)N=C1Nc2ccc(cc2S1)C#N;CC(=O)N=C1Nc2ccc(cc2S1)C#N","InChI=1S/C10H7N3OS/c1-6(14)12-10-13-8-3-2-7(5-11)4-9(8)15-10/h2-4H,1H3,(H,12,13,14)","","2015-06-15","2016-06-24","N-(6-cyano-3H-1,3-benzothiazol-2-ylidene)ethanamide","2016-06-29"],["SOL","L-sorbose","C6 H12 O6","O=C(C(O)C(O)C(O)CO)CO;OC[CH](O)[CH](O)[CH](O)C(=O)CO;C(C(C(C(C(=O)CO)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1","","2010-05-14","2020-06-24","L-sorbose",""],["AJH","4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid","C23 H24 F3 N3 O4","O=C(N2CCCN(C(=O)c1ccc(C(=O)O)cc1)CC2)CC(N)Cc3cc(F)c(F)cc3F;N[CH](CC(=O)N1CCCN(CC1)C(=O)c2ccc(cc2)C(O)=O)Cc3cc(F)c(F)cc3F;c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)CC(Cc3cc(c(cc3F)F)F)N)C(=O)O","InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1","","2008-09-25","2011-06-04","4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid",""],["SOM","METHYL PHOSPHINIC ACID","C H5 O2 P","O=P(O)C;C[PH](O)=O;CP(=O)O","InChI=1/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/f/h2H","","1999-07-08","2008-10-14","(R)-methylphosphinic acid",""],["AJI","3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide","C19 H15 F N6 O S3","O=C(Nc1nc(cs1)C)c4nc(Sc2nncn2C)ccc4Sc3ccc(F)cc3;Cn1cnnc1Sc2ccc(Sc3ccc(F)cc3)c(n2)C(=O)Nc4scc(C)n4;Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F","InChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27)","3-[(4-fluorophenyl)thio]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]pyridine-2-carboxamide","2009-03-24","2021-03-13","3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide",""],["SON","ADENOSINE PHOSPHONOACETIC ACID","C12 H16 N5 O8 P","O=P(O)(O)CC(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](COC(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COC(=O)CP(=O)(O)O)O)O)N","InChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(20)8(19)5(25-12)1-24-6(18)2-26(21,22)23/h3-5,8-9,12,19-20H,1-2H2,(H2,13,14,15)(H2,21,22,23)/t5-,8-,9-,12-/m1/s1","","2004-01-26","2011-06-04","5'-O-(phosphonoacetyl)adenosine",""],["AJJ","4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol","C14 H17 N3 O2","C1CN(C)CCC1c2noc(n2)c3ccc(cc3)O;CN1CCC(CC1)c2noc(n2)c3ccc(O)cc3;CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O","InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3","","2017-07-18","2017-12-08","4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol","2017-12-13"],["SOO","S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate","C19 H35 N2 O8 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)/C=C/CCCCC;CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H35N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h8-9,17,24H,4-7,10-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/b9-8+/t17-/m1/s1","","2009-10-15","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (2E)-oct-2-enethioate",""],["AJK","(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium","C19 H20 Cl N2","Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3;c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3","InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1","","2017-08-21","2018-02-23","(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium","2018-02-28"],["SOP","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL\n(3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN\nDIPHOSPHATE","C24 H40 N7 O17 P3 S","O=C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1","S-(2-OXOPROPYL)-COENZYME A","2006-03-24","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)",""],["AJL","(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C21 H22 N2 O3","c2c1C(N(CCc1cc(c2OC)OC)C=O)Cc3cnc4ccccc34;COc1cc2CCN(C=O)[CH](Cc3c[nH]c4ccccc34)c2cc1OC;COc1cc2c(cc1OC)C(N(CC2)C=O)Cc3c[nH]c4c3cccc4","InChI=1S/C21H22N2O3/c1-25-20-10-14-7-8-23(13-24)19(17(14)11-21(20)26-2)9-15-12-22-18-6-4-3-5-16(15)18/h3-6,10-13,19,22H,7-9H2,1-2H3/t19-/m0/s1","","2018-11-03","2019-10-18","(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SOQ","N-methyl-L-aspartic acid","C5 H9 N O4","CN[CH](CC(O)=O)C(O)=O;CNC(CC(=O)O)C(=O)O","InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1","","2020-11-26","2024-09-27","(2~{S})-2-(methylamino)butanedioic acid","2021-12-01"],["AJM","AJMALINE","C18 H22 N2 O2","OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C;CN1[CH]2[CH]3C[CH]4C[CH](O)N3[CH]5C[C]2([CH](O)[CH]45)c6ccccc16;CN1c2ccccc2C34C1C5CC6CC(N5C(C3)C6C4O)O","InChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1","","2005-06-03","2011-06-04","(5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol",""],["SOR","sorbitol","C6 H14 O6","OC(C(O)CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)CO;C(C(C(C(C(CO)O)O)O)O)O","InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1","D-sorbitol; D-glucitol","1999-07-08","2020-07-17","D-glucitol",""],["AJN","Ajmalicine","C21 H24 N2 O3","O=C(OC)C4=COC(C5CN3CCc1c(nc2ccccc12)C3CC45)C;COC(=O)C1=CO[CH](C)[CH]2CN3CCc4c([nH]c5ccccc45)[CH]3C[CH]12;CC1C2CN3CCc4c5ccccc5[nH]c4C3CC2C(=CO1)C(=O)OC","InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1","methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate","2014-10-15","2021-03-13","methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate","2015-01-14"],["SOS","[(1R,2S,4R)-4-({2-AMINO-5-[BENZYL(FORMYL)AMINO]-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL}AMINO)-2-HYDROXYCYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE","C18 H24 N5 O7 P","O=C2C(N(C=O)Cc1ccccc1)=C(N=C(N)N2)NC3CC(COP(=O)(O)O)C(O)C3;NC1=NC(=C(N(Cc2ccccc2)C=O)C(=O)N1)N[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C3;c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)NC3CC(C(C3)O)COP(=O)(O)O","InChI=1S/C18H24N5O7P/c19-18-21-16(20-13-6-12(14(25)7-13)9-30-31(27,28)29)15(17(26)22-18)23(10-24)8-11-4-2-1-3-5-11/h1-5,10,12-14,25H,6-9H2,(H2,27,28,29)(H4,19,20,21,22,26)/t12-,13-,14+/m1/s1","","2007-01-23","2011-06-04","[(1R,2S,4R)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate",""],["AJO","2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide","C11 H14 N4 O","CN(CC#N)CC(=O)Nc1cccc(C)n1;Cc1cccc(n1)NC(=O)CN(C)CC#N","InChI=1S/C11H14N4O/c1-9-4-3-5-10(13-9)14-11(16)8-15(2)7-6-12/h3-5H,7-8H2,1-2H3,(H,13,14,16)","","2021-11-09","2024-06-26","2-[cyanomethyl(methyl)amino]-~{N}-(6-methylpyridin-2-yl)ethanamide","2024-06-19"],["SOT","morpholine-4-sulfonic acid","C4 H9 N O4 S","O=S(=O)(O)N1CCOCC1;O[S](=O)(=O)N1CCOCC1;C1COCCN1S(=O)(=O)O","InChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)","","1999-07-08","2024-09-27","morpholine-4-sulfonic acid",""],["AJP","Digitonin","C56 H92 O29","CC1C2C(OC31CCC(C)CO3)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21C;C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O[CH]9OC[CH](O)[CH](O)[CH]9O)[CH]8O[CH]%10O[CH](CO)[CH](O)[CH](O[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)[CH]%10O)[CH](O)[CH]7O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C;CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1","InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1","","2017-07-18","2021-08-12","(25R)-2beta,15alpha-dihydroxy-5beta,8alpha,10alpha,14beta,17beta-spirostan-3alpha-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside","2017-08-02"],["SOU","[(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate","C12 H20 O2","CC(=O)OCC=C(C)CCC=C(C)C;CC(=CCCC(=CCOC(=O)C)C)C","InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+","","2023-04-13","2024-06-14","[(2~{E})-3,7-dimethylocta-2,6-dienyl] ethanoate","2024-06-19"],["AJQ","[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid","C21 H30 N10 O15 P3 S3","C[n+]1cn([CH]2O[CH](CS[P](O)(=O)O[P](S)(=O)O[P](O)(=O)SC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N=C(N)Nc45)[CH](O)[CH]2O)c6N=C(N)NC(=O)c16;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CSP(=O)(O)OP(=O)(OP(=O)(O)SCC4C(C(C(O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O","InChI=1S/C21H29N10O15P3S3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(44-19)3-52-48(40,41)46-49(42,50)45-47(38,39)51-2-6-10(32)12(34)18(43-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,50)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-,49-/m1/s1","","2017-08-21","2018-04-27","[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid","2018-05-02"],["SOV","5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile","C12 H8 N2 O2","Cc1ccc(cc1C#N)N2C(=O)C=CC2=O;Cc1ccc(cc1C#N)N2C(=O)C=CC2=O","InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3","","2020-03-11","2020-07-17","5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile","2020-07-22"],["AJR","2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol)","C20 H28 N6 O3","n2c(N(CCO)CCO)nc1c(ncn1C(C)C)c2NCc3ccc(cc3)OC;COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1;CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO","InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)","","2018-11-06","2019-10-25","2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol)","2019-10-30"],["SOW","[(2-amino-2-oxoethyl)amino]acetic acid","C4 H8 N2 O3","NC(=O)CNCC(=O)O;NC(=O)CNCC(O)=O;C(C(=O)N)NCC(=O)O","InChI=1S/C4H8N2O3/c5-3(7)1-6-2-4(8)9/h6H,1-2H2,(H2,5,7)(H,8,9)","","2022-07-07","2024-09-27","[(2-amino-2-oxoethyl)amino]acetic acid","2022-12-07"],["AJT","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide","C25 H31 N7 O3","O=C(NC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5;c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)NC(=O)C5CCCN5","InChI=1S/C25H31N7O3/c33-23(20-6-3-9-26-20)29-18-7-12-32(13-8-18)25(35)31-22-21(27-10-11-28-22)24(34)30-19-14-16-4-1-2-5-17(16)15-19/h1-2,4-5,10-11,18-20,26H,3,6-9,12-15H2,(H,29,33)(H,30,34)(H,28,31,35)/t20-/m0/s1","","2021-11-30","2022-08-22","~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide","2022-05-04"],["SOX","N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC\nETAMIDE","C16 H20 N2 O5 S","O=C2N1C(C(=O)O)C(C)(C)S(O)C1C2NC(=O)Cc3ccccc3;CC1(C)[CH](N2[CH]([CH](NC(=O)Cc3ccccc3)C2=O)[SH]1O)C(O)=O;CC1(C(N2C(S1O)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O)C","InChI=1S/C16H20N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14,23-24H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1","OXIDISED PENICILLIN G","2001-09-11","2020-06-17","(2S,4S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["AJU","2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid","C17 H24 O8","O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2;OC(=O)c1ccc2OCCOCCOCCOCCOCCOc2c1;c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2","InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)","4'-Carboxybenzo-18-crown 6-Ether","2018-11-07","2021-03-01","2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid","2019-03-13"],["SOY","OXACILLIN-ACYLATED SERINE","C22 H26 N4 O8 S","O=C(NC(C(=O)OCC(C(=O)O)N)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C;Cc1onc(c2ccccc2)c1C(=O)N[CH]([CH]3N[CH](C(O)=O)C(C)(C)S3)C(=O)OC[CH](N)C(O)=O;Cc1c(c(no1)c2ccccc2)C(=O)NC(C3NC(C(S3)(C)C)C(=O)O)C(=O)OCC(C(=O)O)N","InChI=1S/C22H26N4O8S/c1-10-13(14(26-34-10)11-7-5-4-6-8-11)17(27)24-15(21(32)33-9-12(23)19(28)29)18-25-16(20(30)31)22(2,3)35-18/h4-8,12,15-16,18,25H,9,23H2,1-3H3,(H,24,27)(H,28,29)(H,30,31)/t12-,15-,16-,18+/m0/s1","","2006-10-19","2017-07-25","(2R,4S)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["AJV","7-fluoro-3-(hydroxyamino)-2H-indol-2-one","C8 H5 F N2 O2","C=21C=CC=C(C1=NC(C=2NO)=O)F;ONC1=C2C=CC=C(F)C2=NC1=O;C1=CC2=C(C(=O)N=C2C(=C1)F)NO","InChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1-3,13H,(H,10,11,12)","","2017-07-19","2017-12-15","7-fluoro-3-(hydroxyamino)-2H-indol-2-one","2017-12-20"],["SOZ","5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine","C19 H13 F5 N6","Cc1nc2ccc(F)cc2n1c3nc(N)c(F)c(Nc4ccc(cc4)C(F)(F)F)n3;Cc1nc2ccc(cc2n1c3nc(c(c(n3)Nc4ccc(cc4)C(F)(F)F)F)N)F","InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)","","2022-12-19","2022-12-23","5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine","2022-12-28"],["AJW","7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one","C23 H29 N3 O2","O=C1CCc2ccc(OCCCCN3CCN(CC3)c4ccccc4)cc2N1;c1ccc(cc1)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4","InChI=1S/C23H29N3O2/c27-23-11-9-19-8-10-21(18-22(19)24-23)28-17-5-4-12-25-13-15-26(16-14-25)20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17H2,(H,24,27)","","2022-03-24","2022-09-02","7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1~{H}-quinolin-2-one","2022-09-07"],["SP0","3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE","C19 H13 F2 N3 O2 S2","Fc1cccc(c1)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4;Fc1ccc(cc1)n2nc(cc2N[S](=O)(=O)c3cccc(F)c3)c4sccc4;c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F","InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H","","2006-02-15","2011-06-04","3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]benzenesulfonamide",""],["AJX","(1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C23 H26 N2 O3","c4c3C(CCCc1cnc2ccccc12)N(CCc3cc(c4OC)OC)C=O;COc1cc2CCN(C=O)[CH](CCCc3c[nH]c4ccccc34)c2cc1OC;COc1cc2c(cc1OC)C(N(CC2)C=O)CCCc3c[nH]c4c3cccc4","InChI=1S/C23H26N2O3/c1-27-22-12-16-10-11-25(15-26)21(19(16)13-23(22)28-2)9-5-6-17-14-24-20-8-4-3-7-18(17)20/h3-4,7-8,12-15,21,24H,5-6,9-11H2,1-2H3/t21-/m0/s1","","2018-11-08","2019-10-18","(1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SP1","6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL","C10 H12 N5 O5 P S","S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=S)(O4)O)O)N","InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1","SP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE","2002-12-13","2021-03-13","(2S,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide",""],["AJY","(3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one","C9 H7 Br N2 O2","c/12c(NC(=O)C1=NO)cc(c(c2)C)Br;Cc1cc2c(NC(=O)C2=NO)cc1Br;Cc1cc2c(cc1Br)NC(=O)C2=NO","InChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,14H,1H3,(H,11,12,13)","","2017-07-19","2017-12-15","(3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one","2017-12-20"],["SP2","3,4-DIHYDROSPHEROIDENE","C41 H62 O","O(C(CCCC(=CC=CC(=CC=CC(=CC=C/C=C(/C=C/C=C(C)CCC=C(/C)CCC=C(/C)C)C)C)C)C)(C)C)C;COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC)C)C)C)C","InChI=1S/C41H62O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18,20-22,24-28,30-31H,14,17,19,23,29,32-33H2,1-11H3/b13-12-,24-15+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+","","2003-12-22","2011-06-04","(15cis)-1-methoxy-1,2,7',8'-tetrahydro-psi,psi-carotene",""],["AJZ","3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol","C16 H15 N3 O2 S","Oc1cccc(c1)c2nc3ccsc3c(n2)N4CCOCC4;c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4","InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2","","2010-02-15","2011-06-04","3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol",""],["SP3","N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE","C21 H12 F7 N3 O2 S2","FC(F)(F)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4;Fc1ccc(cc1)n2nc(cc2N[S](=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4sccc4;c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F","InChI=1S/C21H12F7N3O2S2/c22-14-3-5-15(6-4-14)31-19(11-17(29-31)18-2-1-7-34-18)30-35(32,33)16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-11,30H","","2006-02-15","2011-06-04","N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide",""],["AK0","(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C22 H23 F N2 O3","c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)F;COc1cc2CCN(C=O)[CH](CCc3c[nH]c4cc(F)ccc34)c2cc1OC;COc1cc2c(cc1OC)C(N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F","InChI=1S/C22H23FN2O3/c1-27-21-9-14-7-8-25(13-26)20(18(14)11-22(21)28-2)6-3-15-12-24-19-10-16(23)4-5-17(15)19/h4-5,9-13,20,24H,3,6-8H2,1-2H3/t20-/m0/s1","","2018-11-08","2019-10-18","(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SP5","N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide","C12 H28 N4 O","O=C(NCCCNCCCCNCCCN)C;CC(=O)NCCCNCCCCNCCCN;CC(=O)NCCCNCCCCNCCCN","InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)","N1-AcSpermine","2008-03-31","2020-06-17","N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide",""],["AK1","1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea","C19 H15 F3 N6 O S2","FC(F)(F)c1cc(ccc1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3;FC(F)(F)c1cccc(NC(=O)Nc2sc(CCNc3ncnc4ccsc34)cn2)c1;c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F","InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)","","2008-05-05","2011-06-04","1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea",""],["SP6","BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE","C21 H16 N2 O4 S","O=C(OCc1ccccc1)C=2SC3=CC(=O)N(C(=O)N3C=2)Cc4ccccc4;O=C(OCc1ccccc1)C2=CN3C(=O)N(Cc4ccccc4)C(=O)C=C3S2;c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4","InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2","","2007-02-16","2011-06-04","benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate",""],["AK2","1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea","C18 H15 Cl N6 O S2","Clc1cccc(c1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3;Clc1cccc(NC(=O)Nc2sc(CCNc3ncnc4ccsc34)cn2)c1;c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3","InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)","","2008-05-05","2011-06-04","1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea",""],["SP7","N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide","C10 H23 N3 O","O=C(NC(CCNCCCCN)C)C;C[CH](CCNCCCCN)NC(C)=O;CC(CCNCCCCN)NC(=O)C","InChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1","S-N1-AcMeSpermidine","2008-03-31","2021-03-01","N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide",""],["AK3","1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea","C19 H17 F3 N8 O S","O=C(Nc1ncc(s1)CCNc3ncnc2c3n(nc2)C)Nc4cc(ccc4)C(F)(F)F;Cn1ncc2ncnc(NCCc3sc(NC(=O)Nc4cccc(c4)C(F)(F)F)nc3)c12;Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C19H17F3N8OS/c1-30-15-14(9-27-30)25-10-26-16(15)23-6-5-13-8-24-18(32-13)29-17(31)28-12-4-2-3-11(7-12)19(20,21)22/h2-4,7-10H,5-6H2,1H3,(H,23,25,26)(H2,24,28,29,31)","","2008-05-12","2011-06-04","1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea",""],["SP8","N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide","C15 H25 N3 O","O=C(NC(C)CCNCCCCN)c1ccccc1;C[CH](CCNCCCCN)NC(=O)c1ccccc1;CC(CCNCCCCN)NC(=O)c1ccccc1","InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m0/s1","S-Bz-MeSpermidine","2008-03-31","2021-03-01","N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide",""],["AK4","(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid","C19 H17 Cl N8 O3 S","O=C(Nc1ncc(s1)CCNc3ncnc2c3n(nc2)CC(=O)O)Nc4cccc(Cl)c4;OC(=O)Cn1ncc2ncnc(NCCc3sc(NC(=O)Nc4cccc(Cl)c4)nc3)c12;c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3","InChI=1S/C19H17ClN8O3S/c20-11-2-1-3-12(6-11)26-18(31)27-19-22-7-13(32-19)4-5-21-17-16-14(23-10-24-17)8-25-28(16)9-15(29)30/h1-3,6-8,10H,4-5,9H2,(H,29,30)(H,21,23,24)(H2,22,26,27,31)","","2008-05-12","2011-06-04","(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid",""],["SP9","N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide","C15 H25 N3 O","O=C(NC(C)CCNCCCCN)c1ccccc1;C[CH](CCNCCCCN)NC(=O)c1ccccc1;CC(CCNCCCCN)NC(=O)c1ccccc1","InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1","R-Bz-MeSpermidine","2008-03-31","2021-03-01","N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide",""],["AK5","3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide","C21 H20 Br N5 O3 S","Brc3c(SCCC(=O)Nc2cc(C(=O)Nc1ccccc1)ccc2OC)ncnc3N;COc1ccc(cc1NC(=O)CCSc2ncnc(N)c2Br)C(=O)Nc3ccccc3;COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3","InChI=1S/C21H20BrN5O3S/c1-30-16-8-7-13(20(29)26-14-5-3-2-4-6-14)11-15(16)27-17(28)9-10-31-21-18(22)19(23)24-12-25-21/h2-8,11-12H,9-10H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25)","","2008-06-24","2011-06-04","3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide",""],["SPA","THIOPHENEACETIC ACID","C6 H6 O2 S","O=C(O)Cc1sccc1;OC(=O)Cc1sccc1;c1cc(sc1)CC(=O)O","InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)","","1999-07-08","2011-06-04","thiophen-2-ylacetic acid",""],["AK6","4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide","C25 H24 N4 O3 S","O=C(Nc1ccccc1)c2cc(c(OC)cc2)NC(=O)CCSCc3cc4c(nc3)ncc4;COc1ccc(cc1NC(=O)CCSCc2cnc3[nH]ccc3c2)C(=O)Nc4ccccc4;COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4","InChI=1S/C25H24N4O3S/c1-32-22-8-7-19(25(31)28-20-5-3-2-4-6-20)14-21(22)29-23(30)10-12-33-16-17-13-18-9-11-26-24(18)27-15-17/h2-9,11,13-15H,10,12,16H2,1H3,(H,26,27)(H,28,31)(H,29,30)","","2008-06-24","2011-06-04","4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide",""],["SPB","4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID","C19 H19 N O3","O=C(Nc1ccc(cc1)C=Cc2ccccc2)CCCC(=O)O;OC(=O)CCCC(=O)Nc1ccc(cc1)C=Cc2ccccc2;c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O","InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+","5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID; N-(TRANS-4-STILBENYL)-5-AMINO-5-OXO-PENTANOIC ACID","2000-09-20","2020-06-17","5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid",""],["AK7","1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea","C17 H15 Br F3 N7 O S","O=C(Nc1ncc(s1)CCNc2ncnc(N)c2Br)Nc3cccc(c3)C(F)(F)F;Nc1ncnc(NCCc2sc(NC(=O)Nc3cccc(c3)C(F)(F)F)nc2)c1Br;c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F","InChI=1S/C17H15BrF3N7OS/c18-12-13(22)25-8-26-14(12)23-5-4-11-7-24-16(30-11)28-15(29)27-10-3-1-2-9(6-10)17(19,20)21/h1-3,6-8H,4-5H2,(H3,22,23,25,26)(H2,24,27,28,29)","","2008-06-24","2011-06-04","1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea",""],["SPC","N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE","C13 H19 N3 O6 S","O=S(=O)(c1ccc(OC)cc1)N2C(C(=O)NO)CC(NOC)C2;CON[CH]1C[CH](N(C1)[S](=O)(=O)c2ccc(OC)cc2)C(=O)NO;COc1ccc(cc1)S(=O)(=O)N2CC(CC2C(=O)NO)NOC","InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1","","1999-10-26","2011-06-04","(4S)-N-hydroxy-4-(methoxyamino)-1-[(4-methoxyphenyl)sulfonyl]-D-prolinamide",""],["AK8","1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea","C25 H21 F3 N6 O2","FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(Oc3ncccc3c2nc(ncc2)NC)c(c4)C;CNc1nccc(n1)c2cccnc2Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3C;Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C25H21F3N6O2/c1-15-13-18(33-24(35)32-17-6-3-5-16(14-17)25(26,27)28)8-9-21(15)36-22-19(7-4-11-30-22)20-10-12-31-23(29-2)34-20/h3-14H,1-2H3,(H,29,31,34)(H2,32,33,35)","","2008-09-24","2011-06-04","1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea",""],["SPD","SPERMIDINE","C7 H19 N3","NCCCNCCCCN;NCCCCNCCCN;C(CCNCCCN)CN","InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2","N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE; PA(34)","1999-07-08","2024-09-27","N-(3-aminopropyl)butane-1,4-diamine",""],["AKA","10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)","C40 H51 N O13","O=C2c1cc7c(c(O)c1C(=O)c3c2cccc3O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7;CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O[CH]3C[CH](O)[CH](O[CH]4CCC(=O)[CH](C)O4)[CH](C)O3)[CH](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1;CCC1(Cc2cc3c(c(c2C(C1)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)OC6CCC(=O)C(O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O","InChI=1S/C40H51NO13/c1-7-40(48)16-21-13-23-34(37(47)33-22(35(23)45)9-8-10-26(33)43)36(46)32(21)28(17-40)52-30-14-24(41(5)6)38(19(3)50-30)54-31-15-27(44)39(20(4)51-31)53-29-12-11-25(42)18(2)49-29/h8-10,13,18-20,24,27-31,38-39,43-44,46,48H,7,11-12,14-17H2,1-6H3/t18-,19+,20+,24+,27+,28+,29+,30+,31-,38-,39+,40+/m1/s1","10-{4-DIMETHYLAMINO-5-[4-HYDROXY-6-METHYL-5-(6-METHYL-5-OXO-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRANE-2-YLOXY]-6-METH\nYL-TETRAHYDRO-PYRAN-2-YLOXY}-8-ETHYL-1,8,11-TRIHYDROXY-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE","2003-08-18","2020-06-17","(1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-beta-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside",""],["SPE","THERMINE","C9 H24 N4","NCCCNCCCNCCCN;NCCCNCCCNCCCN;C(CN)CNCCCNCCCN","InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2","","1999-07-08","2011-06-04","N,N'-bis(3-aminopropyl)propane-1,3-diamine",""],["AKB","2-AMINO-3-KETOBUTYRIC ACID","C4 H7 N O3","O=C(C)C(N)C(=O)O;CC(=O)[CH](N)C(O)=O;CC(=O)C(C(=O)O)N","InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1","","2000-08-04","2011-06-04","(2S)-2-amino-3-oxobutanoic acid",""],["SPF","SINAPOYL COENZYME A","C32 H44 N7 O20 P3 S","O=C(SCCNC(=O)CCNC(=O)C4(O)C(C)(C)C4OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc5cc(OC)c(O)c(OC)c5;COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)[C]2(O)[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)ncnc45)C2(C)C)cc(OC)c1O;CC1(C(C1(C(=O)NCCC(=O)NCCSC(=O)C=Cc2cc(c(c(c2)OC)O)OC)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C","InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32?/m1/s1","","2004-03-30","2011-06-04","S-(2-{[3-({[(1R,3R)-3-{[(S)-{[(S)-{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-1-hydroxy-2,2-dimethylcyclopropyl]carbonyl}amino)propanoyl]amino}ethyl) (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate (non-preferred name)",""],["AKC","2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE","C36 H39 N3 O7","O=C(OCCOCC)NC(Cc1ccccc1)C(O)CC2(NC=C(C2=O)C4c3c(cccc3)C5NC(=O)OC45)Cc6ccccc6;CCOCCOC(=O)N[CH](Cc1ccccc1)[CH](O)C[C]2(Cc3ccccc3)NC=C([CH]4[CH]5OC(=O)N[CH]5c6ccccc46)C2=O;CCOCCOC(=O)NC(Cc1ccccc1)C(CC2(C(=O)C(=CN2)C3c4ccccc4C5C3OC(=O)N5)Cc6ccccc6)O","InChI=1S/C36H39N3O7/c1-2-44-17-18-45-34(42)38-28(19-23-11-5-3-6-12-23)29(40)21-36(20-24-13-7-4-8-14-24)33(41)27(22-37-36)30-25-15-9-10-16-26(25)31-32(30)46-35(43)39-31/h3-16,22,28-32,37,40H,2,17-21H2,1H3,(H,38,42)(H,39,43)/t28-,29-,30+,31+,32-,36-/m0/s1","2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE","2005-10-19","2021-03-13","2-ethoxyethyl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(3aR,8R,8aS)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-8-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate",""],["SPG","2-DEAMINO-6-DEOXY-6THIOPHOSPHITE-5'-PHOSPHATE GUANOSINE","C10 H15 N4 O10 P2 S","O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O;O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2cnc3c(S[P](O)(O)=O)[nH+]cnc23;c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)SP(=O)(O)O","InChI=1/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1/fC10H15N4O10P2S/h12,17-18,20-21H/q+1","","1999-07-08","2008-10-14","9-(5-O-phosphono-beta-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium",""],["AKD","5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate","C12 H14 Br N2 O2","[O-]C(=O)c2c(NC1CCCNC1)ccc(Br)c2;[O-]C(=O)c1cc(Br)ccc1N[CH]2CCCNC2;c1cc(c(cc1Br)C(=O)[O-])NC2CCCNC2","InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/p-1/t9-/m0/s1","","2009-09-16","2011-06-04","5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate",""],["SPH","SPHINGOSINE","C18 H37 N O2","OCC(N)C(O)C=C/CCCCCCCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO;CCCCCCCCCCCCCC=CC(C(CO)N)O","InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m1/s1","","1999-07-08","2011-06-04","(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol",""],["AKE","1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione","C22 H28 N4 O4","O=C2c1ccccc1C(=O)c3c2c(ccc3NCCNCCO)NCCNCCO;OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12;c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO","InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2","ametantrone","2012-08-03","2020-06-17","1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione","2013-07-17"],["SPI","N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE","C20 H23 N3 O7 S","O=S(=O)(c1ccc(OC)cc1)N3C(C(=O)NO)CN(C(=O)OCc2ccccc2)CC3;COc1ccc(cc1)[S](=O)(=O)N2CCN(C[CH]2C(=O)NO)C(=O)OCc3ccccc3;COc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCc3ccccc3","InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)/t18-/m1/s1","","1999-10-27","2011-06-04","benzyl (3R)-3-(hydroxycarbamoyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine-1-carboxylate",""],["AKF","(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate","C20 H24 F N3 O3 S","O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1cc(O)c(F)cc1;CC(C)(NC(=O)O[CH]1CN2CCC1CC2)c3csc(n3)c4ccc(F)c(O)c4;CC(C)(c1csc(n1)c2ccc(c(c2)O)F)NC(=O)OC3CN4CCC3CC4","InChI=1S/C20H24FN3O3S/c1-20(2,23-19(26)27-16-10-24-7-5-12(16)6-8-24)17-11-28-18(22-17)13-3-4-14(21)15(25)9-13/h3-4,9,11-12,16,25H,5-8,10H2,1-2H3,(H,23,26)/t16-/m1/s1","","2021-11-09","2022-11-11","(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate","2022-11-16"],["SPJ","(3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine","C12 H30 N4","NC(CCNCCCCNCCC(N)C)C;C[CH](N)CCNCCCCNCC[CH](C)N;CC(CCNCCCCNCCC(C)N)N","InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m1/s1","bis-(3R,3'R)-methyl spermine","2007-12-19","2021-03-13","(3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine",""],["AKG","2-OXOGLUTARIC ACID","C5 H6 O5","O=C(O)C(=O)CCC(=O)O;OC(=O)CCC(=O)C(O)=O;C(CC(=O)O)C(=O)C(=O)O","InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)","","1999-07-08","2024-09-27","2-oxopentanedioic acid",""],["SPK","SPERMINE (FULLY PROTONATED FORM)","C10 H30 N4","C(CCC[NH2+]CCC[NH3+])[NH2+]CCC[NH3+];[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+];C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]","InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4","","2001-12-07","2011-06-07","N,N'-bis(3-ammoniopropyl)butane-1,4-diaminium",""],["AKH","1-BENZOFURAN-7-CARBOXYLIC ACID","C9 H6 O3","O=C(O)c2cccc1c2occ1;OC(=O)c1cccc2ccoc12;c1cc2ccoc2c(c1)C(=O)O","InChI=1S/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)","","2012-02-07","2014-09-05","1-benzofuran-7-carboxylic acid",""],["SPL","OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE","C26 H51 N O3","O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCC;CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCC)O","InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24?,25-/m1/s1","CERAMIDE","2003-11-05","2020-06-17","N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octanamide",""],["AKI","1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea","C33 H27 N5 O2","O=C(Nc1ccccc1)Nc2ccc(cc2)CCNc3ncnc4oc(c(c34)c5ccccc5)c6ccccc6;O=C(Nc1ccccc1)Nc2ccc(CCNc3ncnc4oc(c5ccccc5)c(c6ccccc6)c34)cc2;c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6","InChI=1S/C33H27N5O2/c39-33(37-26-14-8-3-9-15-26)38-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)40-32(29)36-22-35-31/h1-19,22H,20-21H2,(H,34,35,36)(H2,37,38,39)","","2010-03-18","2011-06-04","1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea",""],["SPM","SPERMINE","C10 H26 N4","NCCCNCCCCNCCCN;NCCCNCCCCNCCCN;C(CCNCCCN)CNCCCN","InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2","","1999-07-08","2024-09-27","N,N'-bis(3-aminopropyl)butane-1,4-diamine",""],["AKJ","1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one","C16 H20 F2 O4","C(F)(F)Oc2c(OC1COCC1)cc(cc2)C(=O)CC(C)C;CC(C)CC(=O)c1ccc(OC(F)F)c(O[CH]2CCOC2)c1;CC(C)CC(=O)c1ccc(c(c1)OC2CCOC2)OC(F)F","InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m0/s1","","2017-07-19","2018-07-13","1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one","2018-07-18"],["SPN","SPEROIDENONE","C41 H70 O2","O=C(C/C=C(C)CCC=C(/C)CCC=C(/C)CCCCC(=C/CCC(C)CCC=C(/C)CCC=C(/C)C)/C)C(OC)(C)C;COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[CH](C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCCCC(=CCCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)C)CCC=C(C)CCC=C(C)C","InChI=1S/C41H70O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h19,23-25,29,31,37H,12-18,20-22,26-28,30,32H2,1-11H3/b34-23+,35-24+,36-25+,38-29+,39-31+/t37-/m0/s1","","1999-07-08","2011-06-04","(8E,9'S,12E,12'E)-1-methoxy-4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-psi,psi-caroten-2-one",""],["AKK","(1Z)-prop-1-en-1-amine","C3 H7 N","C(=CN)C;CC=CN;CC=CN","InChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3/b3-2-","","2011-03-25","2024-09-27","(1Z)-prop-1-en-1-amine",""],["SPO","SPHEROIDENE","C41 H60 O","O(C(CC=CC(=CC=CC(=CC=CC(=C/C=C/C=C(/C=C/C=C(C)CCC=C(/C)CCC=C(/C)C)C)C)C)C)(C)C)C;COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C","InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+","","1999-07-08","2011-06-04","(3E,13cis)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene",""],["AKL","3-AMINO-5-CHLORO-4-OXOPENTANOIC ACID","C5 H8 Cl N O3","O=C(CCl)C(N)CC(=O)O;N[CH](CC(O)=O)C(=O)CCl;C(C(C(=O)CCl)N)C(=O)O","InChI=1S/C5H8ClNO3/c6-2-4(8)3(7)1-5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1","ASPARTIC ACID CHLOROMETHYL KETONE","2006-04-19","2011-08-06","(3S)-3-amino-5-chloro-4-oxopentanoic acid",""],["SPP","(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE","C22 H28 N6 O3 S","O=C(c2cc1cc(NS(=O)(=O)C)ccc1n2)N4CCN(c3ncccc3NC(C)C)CC4;CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3[nH]c4ccc(N[S](C)(=O)=O)cc4c3;CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C","InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3","Delavirdine","1999-07-08","2021-03-01","N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide",""],["AKM","[(2R,4S,6R)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","C17 H29 N3 O14 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)(O)C(N)(C3)C)C)O)O)C;C[CH]1O[CH](C[C](C)(N)C1(O)O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1C(C(CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O","InChI=1S/C17H29N3O14P2/c1-8-6-20(15(23)19-14(8)22)12-4-10(21)11(32-12)7-30-35(26,27)34-36(28,29)33-13-5-16(3,18)17(24,25)9(2)31-13/h6,9-13,21,24-25H,4-5,7,18H2,1-3H3,(H,26,27)(H,28,29)(H,19,22,23)/t9-,10+,11-,12-,13-,16+/m1/s1","dTDP-3-amino-2,3,6-trideoxy-4-keto-3-methyl-D-glucose (hydrated at C4)","2013-04-29","2021-03-13","(2R,4S,6R)-4-amino-5,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["SPQ","(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID","C10 H15 F O14 P2","O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)CF;O[CH]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)O[C](CF)(O[P](O)(O)=O)C(O)=O;C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)OC(CF)(C(=O)O)OP(=O)(O)O","InChI=1S/C10H15FO14P2/c11-3-10(9(15)16,25-27(20,21)22)23-5-1-4(8(13)14)2-6(7(5)12)24-26(17,18)19/h2,5-7,12H,1,3H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)/t5-,6-,7+,10+/m1/s1","","2003-11-12","2011-06-04","(3R,4S,5R)-5-[(1R)-1-carboxy-2-fluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",""],["AKN","(2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S\n,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide","C22 H43 N5 O13","O=C(NC3C(OC1OC(C(O)C(N)C1O)CO)C(O)C(OC2OC(CN)C(O)C(O)C2O)C(N)C3)C(O)CCN;NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O;C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N","InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1","AMIKACIN","2006-02-28","2020-06-17","(2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide",""],["SPR","SPIRAMYCIN I","C43 H74 N2 O14","O=CCC4C(OC2OC(C(OC1OC(C)C(O)C(O)(C)C1)C(N(C)C)C2O)C)C(OC)C(O)CC(=O)OC(C)CC=CC=CC(OC3OC(C)C(N(C)C)CC3)C(C)C4;CO[CH]1[CH](O)CC(=O)O[CH](C)CC=CC=C[CH](O[CH]2CC[CH]([CH](C)O2)N(C)C)[CH](C)C[CH](CC=O)[CH]1O[CH]3O[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]([CH]3O)N(C)C;CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C","InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1","","2001-11-14","2011-06-04","[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name)",""],["AKO","(1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C23 H26 N2 O3","c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)C;COc1cc2CCN(C=O)[CH](CCc3c[nH]c4cc(C)ccc34)c2cc1OC;Cc1ccc2c(c1)[nH]cc2CCC3c4cc(c(cc4CCN3C=O)OC)OC","InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1","","2018-11-08","2019-10-18","(1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SPS","SPARSOMYCIN","C13 H19 N3 O5 S2","O=C1NC(=C(C=CC(=O)NC(CS(=O)CSC)CO)C(=O)N1)C;CSC[S](=O)C[CH](CO)NC(=O)C=CC1=C(C)NC(=O)NC1=O;CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC","InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1","","2002-08-01","2012-01-05","(2E)-N-[(1S)-2-hydroxy-1-({(R)-[(methylsulfanyl)methyl]sulfinyl}methyl)ethyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide",""],["AKP","N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE","C41 H60 N7 O13 P","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3;CC[CH](C)[CH](NC(=O)[CH](CC(C)C)NC(=O)c1cnccn1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CC=C)C(O)(O)C(=O)N[CH](Cc3ccc(O[P](O)(O)=O)cc3)C(O)=O;CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC=C)C(C(=O)NC(Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)C(CC(C)C)NC(=O)c3cnccn3","InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1","","2004-08-30","2024-09-27","N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide",""],["SPT","5'-THIO-THYMIDINE PHOSPHONIC ACID","C10 H15 N2 O7 P S","O=P(O)(O)SCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CS[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CSP(=O)(O)O)O","InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-21-20(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","2001-12-05","2011-06-04","5'-S-phosphono-5'-thiothymidine",""],["AKQ","(2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide","C17 H18 Cl N5 O2","C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O;CC1CC(c2cc(ccc2N1C(=O)C)C(=O)N)Nc3ncc(cn3)Cl","InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1","(2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide","2021-11-30","2022-12-09","(2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide","2022-12-14"],["SPU","2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium","C23 H50 N2 O5 P","O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O;CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)N)O","InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1","sphingosylphosphorylcholine, sphingosine phosphorylcholine","2009-07-28","2020-06-17","2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium",""],["AKR","ACRYLIC ACID","C3 H4 O2","O=C(O)C=C;OC(=O)C=C;C=CC(=O)O","InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)","","2000-11-28","2025-02-21","prop-2-enoic acid",""],["SPV","SULFOPYRUVATE","C3 H4 O6 S","O=C(O)C(=O)CS(=O)(=O)O;OC(=O)C(=O)C[S](O)(=O)=O;C(C(=O)C(=O)O)S(=O)(=O)O","InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)","","2002-06-19","2011-06-04","2-oxo-3-sulfopropanoic acid",""],["AKS","N-(hex-5-yn-1-yl)hexanamide","C12 H21 N O","C(CCCC(=O)NCCCCC#C)C;CCCCCC(=O)NCCCCC#C;CCCCCC(=O)NCCCCC#C","InChI=1S/C12H21NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h1H,4-11H2,2H3,(H,13,14)","","2017-07-19","2017-07-21","N-(hex-5-yn-1-yl)hexanamide","2017-07-26"],["SPW","N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM","C10 H20 N4","[2H][N+]([2H])(CCC[N+]([2H])([2H])[2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H];[N+](CCC[N+](CCCC[N+](CCC[N+]([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])([2H])[2H];[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]","InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4/i/hD10","SPERMINE (FULLY DEUTERATED FORM)","2004-02-13","2021-03-01","N,N'-bis[3-(~2~H_3_)ammoniopropyl]butane-1,4-(~2~H_4_)diaminium",""],["AKT","10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)","C28 H33 N O8","O=C2c1cc5c(c(O)c1C(=O)c3c2cccc3O)C(OC4OC(C(O)C(N(C)C)C4)C)CC(O)(CC)C5;CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O)[CH](C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3C1;CCC1(Cc2cc3c(c(c2C(C1)OC4CC(C(C(O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O","InChI=1S/C28H33NO8/c1-5-28(35)11-14-9-16-23(27(34)22-15(25(16)32)7-6-8-18(22)30)26(33)21(14)19(12-28)37-20-10-17(29(3)4)24(31)13(2)36-20/h6-9,13,17,19-20,24,30-31,33,35H,5,10-12H2,1-4H3/t13-,17-,19-,20-,24+,28-/m0/s1","10-(4-DIMETHYLAMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-8-ETHYL-1,8,11-TRIHYDROXY-7,8,9,10-TETRAHYDRO-NAPHTHAC\nENE-5,12-DIONE","2003-08-18","2020-06-17","(1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside",""],["SPX","SPHINXOLIDE B","C53 H85 N O14","O=CN(C=CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(O)CC(OC)C=CC1C)C)C2O)C)C;CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH](C[CH](O)[CH](C)C=C[CH](C[CH](OC)[CH](C)[CH]2OC(=O)C=C(C1)[CH]2O)OC)OC)[CH](C)[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=O)OC)C;CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)OC)OC","InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3/b19-15-,23-20+,24-21+,26-16+,33-17+/t34-,35-,36-,37-,38+,39-,41-,42+,43+,45-,46+,47-,50-,51-,52-,53-/m0/s1","N-((4R,5R,9S,10S,11S,E)-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25S,29S)-17,29-DIHYDROXY-3,15,21,23-TETRAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXODODEC-1-ENYL)-N-METHYLFORMAMIDE","2005-08-30","2021-03-13","N-{(1E,4R,5R,9S,10S,11S)-11-[(3R,5E,7Z,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25S,29S)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl}-N-methylformamide",""],["AKU","(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","C22 H24 N2 O3","c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3cccc4;COc1cc2CCN(C=O)[CH](CCc3c[nH]c4ccccc34)c2cc1OC;COc1cc2c(cc1OC)C(N(CC2)C=O)CCc3c[nH]c4c3cccc4","InChI=1S/C22H24N2O3/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,11-14,20,23H,7-10H2,1-2H3/t20-/m0/s1","","2018-11-08","2019-10-18","(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde","2019-10-23"],["SPY","pyridine-4-sulfonic acid","C5 H5 N O3 S","O=S(=O)(O)c1ccncc1;O[S](=O)(=O)c1ccncc1;c1cnccc1S(=O)(=O)O","InChI=1S/C5H5NO3S/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H,7,8,9)","","1999-07-08","2011-08-06","pyridine-4-sulfonic acid",""],["AKV","{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE","C22 H22 O8","O=C2c1cccc(O)c1C(=O)c3c2cc(c(c3O)C(O)CC(O)CC)CC(=O)OC;CC[CH](O)C[CH](O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(=O)OC;CCC(CC(c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O","InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1","DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)","2006-02-07","2021-03-01","methyl {3-[(1R,3S)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}acetate",""],["SPZ","(3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine","C12 H30 N4","NC(CCNCCCCNCCC(N)C)C;C[CH](N)CCNCCCCNCC[CH](C)N;CC(CCNCCCCNCCC(C)N)N","InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m0/s1","bis-(3S,3'S)-methyl spermine","2007-12-19","2021-03-13","(3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine",""],["AKW","[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid","C21 H30 N10 O16 P3 S2","C[n+]1cn([CH]2O[CH](CS[P](O)(=O)O[P](O)(=O)O[P](O)(=O)SCC3OC(C(O)C3O)n4cnc5C(=O)NC(=Nc45)N)[CH](O)[CH]2O)c6NC(=NC(=O)c16)N;C[n+]1cn(c2c1C(=O)N=C(N2)N)C3C(C(C(O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O","InChI=1S/C21H29N10O16P3S2/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(45-19)3-52-50(42,43)47-48(38,39)46-49(40,41)51-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6?,7-,10?,11-,12?,13-,18?,19-/m1/s1","","2017-08-21","2018-04-27","[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid","2018-05-02"],["SQ","3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE","C7 H12 N2 O2","O=C1C(=O)C(NCC)C1NC;CCN[CH]1[CH](NC)C(=O)C1=O;CCNC1C(C(=O)C1=O)NC","InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3","SQUARIC ACID","2002-08-13","2020-06-17","(3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione",""],["AKX","(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","C39 H52 O3","C[CH](CCCC(O)(Cc1ccccc1)Cc2ccccc2)[CH]3CC[CH]4C(CCC[C]34C)=CC=C5C[CH](O)C(=C)[CH](O)C5;CC(CCCC(Cc1ccccc1)(Cc2ccccc2)O)C3CCC4C3(CCCC4=CC=C5CC(C(=C)C(C5)O)O)C","InChI=1S/C39H52O3/c1-28(12-10-23-39(42,26-30-13-6-4-7-14-30)27-31-15-8-5-9-16-31)34-20-21-35-33(17-11-22-38(34,35)3)19-18-32-24-36(40)29(2)37(41)25-32/h4-9,13-16,18-19,28,34-37,40-42H,2,10-12,17,20-27H2,1,3H3/b33-19+/t28-,34-,35+,36-,37-,38-/m1/s1","2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxy vitamin D3","2016-05-11","2021-03-13","(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol","2016-06-29"],["SQ0","3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione","C14 H24 N2 O5","O=C1C(NCCCCCCO)=C(NCCOCCO)C1=O;OCCCCCCNC1=C(NCCOCCO)C(=O)C1=O;C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO","InChI=1S/C14H24N2O5/c17-7-4-2-1-3-5-15-11-12(14(20)13(11)19)16-6-9-21-10-8-18/h15-18H,1-10H2","","2021-04-12","2021-06-11","3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione","2021-06-16"],["AKY","METHYL\n(2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H\n-PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-C\nARBOXYLATE","C42 H53 N O15","O=C2c1cc7c(c(O)c1C(=O)c3c2cccc3O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7C(=O)OC;CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O[CH]3C[CH](O)[CH](O[CH]4CCC(=O)[CH](C)O4)[CH](C)O3)[CH](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[CH]1C(=O)OC;CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1C(=O)OC)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19+,20+,24-,27+,28-,29+,30-,31+,35-,39+,40-,42+/m0/s1","ACLACINOMYCIN Y","2006-10-20","2020-06-17","methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2S,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-D-lyxo-hexopyranosyl}-3-(dimethylamino)-beta-D-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate",""],["SQ1","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide]copper","C26 H36 Cu N6 O2 S","[Cu]15N(CCc2n1cccc2)(CCNC(CCCCC3C4C(CS3)NC(N4)=O)=O)CCc6n5cccc6;[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Cu/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);/t22-,23-,25-;/m0./s1","","2017-07-06","2017-11-17","[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide]copper","2017-11-22"],["AKZ","(3S)-3-amino-4,4-dihydroxybutanoic acid","C4 H9 N O4","O=C(O)CC(N)C(O)O;N[CH](CC(O)=O)C(O)O;C(C(C(O)O)N)C(=O)O","InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1","","2011-01-25","2024-09-27","(3S)-3-amino-4,4-dihydroxybutanoic acid",""],["SQ2","2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one","C14 H18 N4 O","CC1CCN(CC1)C(=O)Cn2nnc3ccccc23;CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2","InChI=1S/C14H18N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5,11H,6-10H2,1H3","2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone","2020-11-27","2022-02-18","2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone","2022-02-23"],["AL","ALUMINUM ION","Al","[Al+3];[Al+3];[Al+3]","InChI=1S/Al/q+3","","1999-07-08","2011-06-04","aluminum",""],["AL0","3-[HYDROXY(NITROSO)AMINO]-L-ALANINE","C3 H7 N3 O4","O=C(O)C(N)CN(O)N=O;N[CH](CN(O)N=O)C(O)=O;C(C(C(=O)O)N)N(N=O)O","InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1","L-ALANOSINE","2005-08-16","2020-06-17","3-[hydroxy(nitroso)amino]-L-alanine",""],["SQ3","(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C23 H29 Cl2 N3 O5","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(Cl)cc1Cl;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)COc4ccc(Cl)cc4Cl;CC1(C2C1C(N(C2)C(=O)COc3ccc(cc3Cl)Cl)C(=O)NC(CC4CCNC4=O)CO)C","InChI=1S/C23H29Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,12,14-15,19-20,29H,5-7,9-11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1","","2023-08-28","2024-09-27","(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2024-08-28"],["SQ4","1-(4-aminophenyl)pyrrole-2,5-dione","C10 H8 N2 O2","Nc1ccc(cc1)N2C(=O)C=CC2=O;c1cc(ccc1N)N2C(=O)C=CC2=O","InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2","","2020-03-11","2020-07-17","1-(4-aminophenyl)pyrrole-2,5-dione","2020-07-22"],["AL1","3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C13 H14 N2 O5 S3","O=S(=O)(c1sc3c(c1)CCN(c2cccc(OC)c2)S3(=O)=O)N;COc1cccc(c1)N2CCc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O;COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N","InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17)","AL7182","1999-07-08","2020-06-17","2-(3-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQ5","(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione","C15 H18 F N3 O2","Fc1cncc(c1)N2C(=O)N[CH](CC3CCCCC3)C2=O;c1c(cncc1F)N2C(=O)C(NC2=O)CC3CCCCC3","InChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1","(5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione","2020-11-27","2022-02-18","(5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione","2022-02-23"],["AL2","3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C13 H14 N2 O6 S3","O=S(=O)(c1sc3c(c1)C(O)CN(c2ccc(OC)cc2)S3(=O)=O)N;COc1ccc(cc1)N2C[CH](O)c3cc(sc3[S]2(=O)=O)[S](N)(=O)=O;COc1ccc(cc1)N2CC(c3cc(sc3S2(=O)=O)S(=O)(=O)N)O","InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1","AL5424","1999-07-08","2021-03-01","(4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQ6","2,2'-azanediyldiacetic acid","C4 H7 N O4","O=C(O)CNCC(=O)O;OC(=O)CNCC(O)=O;C(C(=O)O)NCC(=O)O","InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)","","2022-07-07","2024-09-27","2,2'-azanediyldiacetic acid","2022-12-07"],["AL3","3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C11 H12 N2 O5 S4","O=S(=O)(c1sc3c(c1)C(O)CN(Cc2sccc2)S3(=O)=O)N;N[S](=O)(=O)c1sc2c(c1)[CH](O)CN(Cc3sccc3)[S]2(=O)=O;c1cc(sc1)CN2CC(c3cc(sc3S2(=O)=O)S(=O)(=O)N)O","InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1","AL5300","1999-07-08","2021-03-01","(4R)-4-hydroxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQ7","3-(4-chlorophenyl)imidazole-2,4-dione","C9 H5 Cl N2 O2","Clc1ccc(cc1)N2C(=O)C=NC2=O;c1cc(ccc1N2C(=O)C=NC2=O)Cl","InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H","","2020-03-11","2020-07-17","3-(4-chlorophenyl)imidazole-2,4-dione","2020-07-22"],["AL4","(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C11 H19 N3 O5 S3","O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOC)S2(=O)=O)N;CCN[CH]1CN(CCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O;CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC","InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1","AL4623","1999-07-08","2021-03-01","(4R)-4-(ethylamino)-2-(2-methoxyethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQ8","1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one","C25 H23 Cl F N5 O3","CNc1cc2N(C[CH]3OC[CH](N)CO3)C(=O)C(=Cc2cn1)c4ccc(cc4Cl)c5ncccc5F;CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F","InChI=1S/C25H23ClFN5O3/c1-29-22-9-21-15(10-31-22)7-18(25(33)32(21)11-23-34-12-16(28)13-35-23)17-5-4-14(8-19(17)26)24-20(27)3-2-6-30-24/h2-10,16,23H,11-13,28H2,1H3,(H,29,31)/t16-,23-","","2020-11-30","2020-12-11","1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one","2020-12-16"],["AL5","THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)","C12 H14 N2 O4 S3","O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2ccc(cc2)C)N;Cc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1;Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N","InChI=1S/C12H14N2O4S3/c1-9-2-4-10(5-3-9)8-14-21(17,18)12-7-6-11(19-12)20(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)","AL5917","1999-07-08","2020-06-17","N-(4-methylbenzyl)thiophene-2,5-disulfonamide",""],["SQ9","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide","C19 H24 N6 O3 S","O=S(=O)(N)c4cccc(c3nc2nc(nc(OCC1CCCCC1)c2n3)N)c4C;Cc1c(cccc1[S](N)(=O)=O)c2[nH]c3c(OCC4CCCCC4)nc(N)nc3n2;Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N","InChI=1S/C19H24N6O3S/c1-11-13(8-5-9-14(11)29(21,26)27)16-22-15-17(23-16)24-19(20)25-18(15)28-10-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H2,21,26,27)(H3,20,22,23,24,25)","","2013-11-20","2013-12-13","3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide","2013-12-18"],["AL6","2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE","C13 H12 N2 O5 S3","O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N;COc1cccc(c1)N2C=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O;COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N","InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)","AL6528","1999-07-08","2021-03-01","2-(3-methoxyphenyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQA","2-AZASQUALENE","C29 H51 N","C(=C(/CCCN(C)C)C)CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C;CN(C)CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCCN(C)C)C)C)C","InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+","(4E,8E,12Z,16Z)-N,N,4,8,13,17,21-HEPTAMETHYLDOCOSA-4,8,12,16,20-PENTAEN-1-AMINE","2003-08-27","2021-03-13","(4E,8E,12E,16E)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine",""],["AL7","(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C14 H17 N3 O5 S3","O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N;CN[CH]1CN(c2cccc(OC)c2)[S](=O)(=O)c3sc(cc13)[S](N)(=O)=O;CNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC","InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1","AL7099A","1999-07-08","2020-06-17","(4S)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQB","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C26 H27 Cl N6 O4","CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5OC;Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC","InChI=1S/C26H27ClN6O4/c1-14-4-7-21(35-3)23(31-14)15-5-6-18(20(27)9-15)19-8-16-10-30-26(29-2)32-24(16)33(25(19)34)11-22-36-12-17(28)13-37-22/h4-10,17,22H,11-13,28H2,1-3H3,(H,29,30,32)/t17-,22-","","2020-11-30","2020-12-11","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2020-12-16"],["AL8","(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C14 H17 N3 O5 S3","O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N;CN[CH]1CN(c2cccc(OC)c2)[S](=O)(=O)c3sc(cc13)[S](N)(=O)=O;CNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC","InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1","AL7089A","1999-07-08","2020-06-17","(4R)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["SQC","3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione","C20 H19 N3 O3","O=C1C(NCc2ccccn2)=C(C1=O)c1ccc(cc1)N1CCOCC1;O=C1C(=O)C(=C1NCc2ccccn2)c3ccc(cc3)N4CCOCC4;c1ccnc(c1)CNC2=C(C(=O)C2=O)c3ccc(cc3)N4CCOCC4","InChI=1S/C20H19N3O3/c24-19-17(18(20(19)25)22-13-15-3-1-2-8-21-15)14-4-6-16(7-5-14)23-9-11-26-12-10-23/h1-8,22H,9-13H2","","2023-02-01","2023-02-10","3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione","2023-02-15"],["AL9","N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE","C12 H14 N2 O5 S3","O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2ccc(OC)cc2)N;COc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1;COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N","InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)","AL5927","1999-07-08","2020-06-17","N-(4-methoxybenzyl)thiophene-2,5-disulfonamide",""],["SQD","1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL","C41 H78 O12 S","O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1","SULFOQUINOVOSYLDIACYLGLYCEROL","2003-11-03","2021-03-01","(2S)-2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside",""],["ALA","ALANINE","C3 H7 N O2","O=C(O)C(N)C;C[CH](N)C(O)=O;CC(C(=O)O)N","InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","L-alanine",""],["SQE","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C25 H23 Cl F2 N6 O3","CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5cccc(n5)C(F)F;CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N","InChI=1S/C25H23ClF2N6O3/c1-30-25-31-9-14-7-17(24(35)34(23(14)33-25)10-21-36-11-15(29)12-37-21)16-6-5-13(8-18(16)26)19-3-2-4-20(32-19)22(27)28/h2-9,15,21-22H,10-12,29H2,1H3,(H,30,31,33)/t15-,21-","","2020-11-30","2020-12-11","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2020-12-16"],["ALB","DELTA-2-ALBOMYCIN A1","C37 H57 Fe N12 O18 S","CN1C(=O)N(C=CC1=NC(N)=O)[CH]2S[CH]([CH](O)[CH]2O)[CH](O)[CH](NC(=O)[CH](CO)NC(=O)[CH]3CCC[N](O[Fe]4O[N](CCC[CH](N)C(=O)N[CH](CCC[N](O4)C(=O)C)C(=O)N3)C(=O)C)C(=O)C)C(O)=O;CC1=O[Fe]2345O=C(N(O2)CCCC(C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NC(CO)C(=O)NC(C(C6C(C(C(S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C","InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24-;/t20-,21-,22+,23+,25-,26-,27+,28+,29-,34-;/m1./s1","","1999-07-20","2023-09-23","",""],["SQG","2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide","C10 H7 F3 N2 O2","FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1;c1cc(ccc1NC(=O)CC#N)OC(F)(F)F","InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)","","2020-03-11","2020-07-17","2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide","2020-07-22"],["ALC","2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID","C9 H17 N O2","O=C(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)N","InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1","","2000-06-30","2024-09-27","3-cyclohexyl-L-alanine",""],["SQH","2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one","C15 H10 O6","Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2;c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O","InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H","3',4',7,8-Tetrahydroxyflavone","2020-05-15","2021-05-07","2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one","2021-05-12"],["ALD","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide","C26 H43 N3 O5","O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1;CC(C)CC(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1","InChI=1S/C26H43N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,17-19,21-23,30H,12-16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1","","1999-07-08","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide",""],["SQI","hexadecan-1-amine","C16 H35 N","CCCCCCCCCCCCCCCCN;CCCCCCCCCCCCCCCCN;CCCCCCCCCCCCCCCCN","InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3","","2022-07-07","2024-09-27","hexadecan-1-amine","2022-12-07"],["ALE","L-EPINEPHRINE","C9 H13 N O3","Oc1ccc(cc1O)C(O)CNC;CNC[CH](O)c1ccc(O)c(O)c1;CNCC(c1ccc(c(c1)O)O)O","InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1","ADRENALINE","1999-07-08","2021-03-01","4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol",""],["SQK","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","C25 H24 Cl F N6 O3","CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5F;Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F","InChI=1S/C25H24ClFN6O3/c1-13-3-6-20(27)22(31-13)14-4-5-17(19(26)8-14)18-7-15-9-30-25(29-2)32-23(15)33(24(18)34)10-21-35-11-16(28)12-36-21/h3-9,16,21H,10-12,28H2,1-2H3,(H,29,30,32)/t16-,21-","","2020-11-30","2020-12-11","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one","2020-12-16"],["ALF","TETRAFLUOROALUMINATE ION","Al F4","F[Al-](F)(F)F;F[Al-](F)(F)F;F[Al-](F)(F)F","InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4","","1999-07-08","2011-06-04","tetrafluoroaluminate(1-)",""],["SQL","(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","C30 H50","C(=C/CC/C(=C/CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C)(C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C","InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+","squalene","2012-06-07","2021-03-01","(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","2013-05-15"],["ALG","4-carbamimidamidobutanoic acid","C5 H11 N3 O2","O=C(O)CCCNC(=[N@H])N;NC(=N)NCCCC(O)=O;C(CC(=O)O)CNC(=N)N","InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)","","1999-07-08","2011-06-04","4-carbamimidamidobutanoic acid",""],["SQM","4-benzamido-2-methyl-pyrazole-3-carboxamide","C12 H12 N4 O2","Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O;Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N","InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)","","2020-03-11","2020-07-17","4-benzamido-2-methyl-pyrazole-3-carboxamide","2020-07-22"],["ALH","6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE","C16 H17 N3 O","n1c3c(ncc1)c(c(c2ccc(O)cc2)n3)CCCC;CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3;CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2","InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)","ALOISINE A","2003-09-09","2020-06-17","4-(7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol",""],["SQO","2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C15 H18 N6 O2","O=C1c2cc3nc(nc3cc2N=CN1)NCCN4CCOCC4;O=C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12;c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O","InChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)","","2009-03-04","2011-06-04","2-[(2-morpholin-4-ylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["ALI","METHYL N-ACETYL ALLOSAMINE","C8 H12 N2 O4","N1=C(N=C)OC2C1C(O)C(O)C2CO;OC[CH]1[CH](O)[CH](O)[CH]2N=C(O[CH]12)N=C;C=NC1=NC2C(C(C(C2O1)CO)O)O","InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1","(4R,5R,6R)-6-(HYDROXYMETHYL)-2-(METHYLENEAMINO)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]OXAZOLE-4,5-DIOL","2003-03-10","2021-03-13","(3aR,4R,5R,6R,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol",""],["SQP","2-(4-aminophenyl)benzoic acid","C13 H11 N O2","Nc1ccc(cc1)c2ccccc2C(O)=O;c1ccc(c(c1)c2ccc(cc2)N)C(=O)O","InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)","","2020-03-11","2020-07-17","2-(4-aminophenyl)benzoic acid","2020-07-22"],["ALJ","CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR","C11 H19 N5 O2","O=C1N2C(C(=O)NC1CCC/N=C(N)N)CCC2;NC(N)=NCCC[CH]1NC(=O)[CH]2CCCN2C1=O;C1CC2C(=O)NC(C(=O)N2C1)CCCN=C(N)N","InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1","N''-{3-[(3S,8AR)-1,4-DIOXOOCTAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]PROPYL}GUANIDINE","2004-06-24","2021-03-13","2-{3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine",""],["SQQ","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one","C31 H29 Cl N6 O4","COc1ccccc1Nc2ncc3C=C(C(=O)N(C[CH]4OC[CH](N)CO4)c3n2)c5ccc(cc5Cl)c6cccc(C)n6;Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC","InChI=1S/C31H29ClN6O4/c1-18-6-5-8-25(35-18)19-10-11-22(24(32)13-19)23-12-20-14-34-31(36-26-7-3-4-9-27(26)40-2)37-29(20)38(30(23)39)15-28-41-16-21(33)17-42-28/h3-14,21,28H,15-17,33H2,1-2H3,(H,34,36,37)/t21-,28-","","2020-11-30","2020-12-11","8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one","2020-12-16"],["ALK","methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid","C3 H9 O4 P","CO[P](O)(=O)[CH](C)O;CC(O)P(=O)(O)OC","InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1","","2007-12-14","2024-09-27","methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid",""],["SQR","4-nitrophenyl 2-acetamido-2-deoxy-4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranoside","C20 H28 N2 O16 S","[O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(OC2OC(CO)C(O)C(OS(=O)(=O)O)C2O)C(O)C1NC(C)=O;CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]2O)[CH](CO)O[CH]1Oc3ccc(cc3)[N+]([O-])=O;CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)OC3C(C(C(C(O3)CO)O)OS(=O)(=O)O)O)O","InChI=1S/C20H28N2O16S/c1-8(25)21-13-15(27)17(12(7-24)36-19(13)34-10-4-2-9(3-5-10)22(29)30)37-20-16(28)18(38-39(31,32)33)14(26)11(6-23)35-20/h2-5,11-20,23-24,26-28H,6-7H2,1H3,(H,21,25)(H,31,32,33)/t11-,12-,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1","","2022-12-19","2026-04-05","4-nitrophenyl 2-acetamido-2-deoxy-4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranoside","2023-03-01"],["ALL","beta-D-allopyranose","C6 H12 O6","C1(C(C(C(C(CO)O1)O)O)O)O;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1","beta-D-allose; D-allose; allose; D-ALLOPYRANOSE","1999-07-08","2020-07-17","beta-D-allopyranose",""],["SQS","(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol","C18 H37 N O2","OCC(N)C(O)/C=C/CCCCCCCCCCCCC;CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO;CCCCCCCCCCCCCC=CC(C(CO)N)O","InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1","D-Sphingosine","2013-04-26","2020-06-17","(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol","2013-05-08"],["ALM","1-METHYL-ALANINAL","C4 H9 N O","O=C(C)C(N)C;C[CH](N)C(C)=O;CC(C(=O)C)N","InChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/t3-/m0/s1","3-AMINO-BUTAN-2-ONE","1999-07-08","2011-08-06","(3S)-3-aminobutan-2-one",""],["SQT","6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide","C16 H19 N5","N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1;NC(=N)c1ccc(nc1)N2CCN(CC2)c3ccccc3;c1ccc(cc1)N2CCN(CC2)c3ccc(cn3)C(=N)N","InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)","","2023-08-28","2023-11-24","6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide","2023-11-29"],["ALN","NAPHTHALEN-2-YL-3-ALANINE","C13 H13 N O2","O=C(O)C(N)Cc2cccc1ccccc12;N[CH](Cc1cccc2ccccc12)C(O)=O;c1ccc2c(c1)cccc2CC(C(=O)O)N","InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (non-preferred name)",""],["ALO","ALLO-THREONINE","C4 H9 N O3","O=C(O)C(N)C(O)C;C[CH](O)[CH](N)C(O)=O;CC(C(C(=O)O)N)O","InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1","","1999-07-08","2024-09-27","L-allothreonine",""],["SQU","2,10,23-TRIMETHYL-TETRACOSANE","C27 H56","C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C;CC(C)CCCCCCCCCCCCC(C)CCCCCCCC(C)C;CC(C)CCCCCCCCCCCCC(C)CCCCCCCC(C)C","InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1","LIPID FRAGMENT","1999-09-16","2020-06-17","(10R)-2,10,23-trimethyltetracosane",""],["SQV","methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate","C10 H13 N O3","COC(=O)[CH](C)c1cc(OC)ccn1;CC(c1cc(ccn1)OC)C(=O)OC","InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1","","2020-03-11","2020-07-17","methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate","2020-07-22"],["ALP","2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","C9 H15 N O5 S","O=C(O)C(CO)C1SC(C(C(=O)O)N1)(C)C;CC1(C)S[CH](N[CH]1C(O)=O)[CH](CO)C(O)=O;CC1(C(NC(S1)C(CO)C(=O)O)C(=O)O)C","InChI=1S/C9H15NO5S/c1-9(2)5(8(14)15)10-6(16-9)4(3-11)7(12)13/h4-6,10-11H,3H2,1-2H3,(H,12,13)(H,14,15)/t4-,5+,6-/m1/s1","","1999-07-08","2024-09-27","(2R,4S)-2-[(1S)-1-carboxy-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["SQW","propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate","C15 H17 N O3","CC(C)OC(=O)CCC(=O)n1ccc2ccccc12;CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2","InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3","","2020-11-30","2024-09-27","propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate","2021-08-04"],["ALQ","2-METHYL-PROPIONIC ACID","C4 H8 O2","O=C(O)C(C)C;CC(C)C(O)=O;CC(C)C(=O)O","InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)","","2000-08-25","2024-09-27","2-methylpropanoic acid",""],["SQX","13-DESMETHYL SPIROLIDE C","C42 H63 N O7","O=C7OC(C4=C(C)C3C=C(C)C(O)CC6OC5(OC1(OC(CCC1(O)C)CC(=C)CCCC2=NCC(C)C(C)CC23CC4)CC5)CC6)CC7C;C[CH]1CN=C2CCCC(=C)C[CH]3CC[C](C)(O)[C]4(CC[C]5(CC[CH](C[CH](O)C(=C[CH]6C(=C(CC[C]26C[CH]1C)[CH]7C[CH](C)C(=O)O7)C)C)O5)O4)O3;CC1CC(OC1=O)C2=C(C3C=C(C(CC4CCC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC7=NCC(C(CC37CC2)C)C)(C)O)O)C)C","InChI=1S/C42H63NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20,27-29,31-32,34-36,44,46H,1,8-19,21-24H2,2-7H3/b26-20+/t27-,28-,29-,31-,32-,34-,35-,36-,39+,40+,41+,42+/m0/s1","","2009-12-03","2011-06-04","(3S,5S)-5-[(1R,4R,7S,9S,10E,12S,17R,19S,20R,29S,32R)-9,32-dihydroxy-10,13,19,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1~1,4~.1~4,7~.0~12,17~.0~17,23~]pentatriaconta-10,13,22-trien-14-yl]-3-methyldihydrofuran-2(3H)-one (non-preferred name)",""],["ALR","ALRESTATIN","C14 H9 N O4","O=C2c1c3c(ccc1)cccc3C(=O)N2CC(=O)O;OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23;c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O","InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)","","1999-07-08","2011-06-04","(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid",""],["SQY","methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate","C15 H14 Br N O2","COC(=O)[CH](Cc1ccc(Br)cc1)c2ccncc2;COC(=O)C(Cc1ccc(cc1)Br)c2ccncc2","InChI=1S/C15H14BrNO2/c1-19-15(18)14(12-6-8-17-9-7-12)10-11-2-4-13(16)5-3-11/h2-9,14H,10H2,1H3/t14-/m1/s1","","2020-03-11","2020-07-17","methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate","2020-07-22"],["ALS","(3S)-3-(sulfooxy)-L-serine","C3 H7 N O7 S","C(C(C(OS(O)(=O)=O)O)N)(O)=O;N[CH]([CH](O)O[S](O)(=O)=O)C(O)=O;C(C(O)OS(=O)(=O)O)(C(=O)O)N","InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1","","1999-07-08","2024-09-27","(3S)-3-(sulfooxy)-L-serine",""],["SQZ","5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole","C24 H16 F N5 O","C[CH](n1nnc2cnc3ccc(cc3c12)c4ccc5ocnc5c4)c6ccc(F)cc6;CC(c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6","InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1","(S)-5-(1-(1-(4-fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole","2017-03-08","2021-03-13","5-[1-[(1~{S})-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole","2017-08-16"],["ALT","THIOALANINE","C3 H7 N O S","S=C(O)C(N)C;C[CH](N)C(O)=S;CC(C(=S)O)N","InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-aminopropanethioic O-acid",""],["SR","STRONTIUM ION","Sr","[Sr+2];[Sr++];[Sr+2]","InChI=1S/Sr/q+2","","1999-07-08","2011-06-04","strontium",""],["ALU","METHYL HYDROGEN (S)-ACETYLPHOSPHONATE","C3 H7 O4 P","O=C(C)P(=O)(O)OC;CO[P](O)(=O)C(C)=O;CC(=O)P(=O)(O)OC","InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)","","2007-12-14","2011-06-04","methyl hydrogen (S)-acetylphosphonate",""],["SR0","N~1~-(3-azaniumylpropyl)butane-1,4-diaminium","C7 H22 N3","[NH3+]CCCC[NH2+]CCC[NH3+];[NH3+]CCCC[NH2+]CCC[NH3+];C(CC[NH2+]CCC[NH3+])C[NH3+]","InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3","spermidine, fully protonated form","2017-12-11","2021-03-13","N~1~-(3-azaniumylpropyl)butane-1,4-diaminium","2017-12-20"],["ALV","(2S)-2-aminopropane-1,1-diol","C3 H9 N O2","OC(O)C(N)C;C[CH](N)C(O)O;CC(C(O)O)N","InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1","","2010-10-07","2024-09-27","(2S)-2-aminopropane-1,1-diol",""],["ALW","METHYL 5-(PROPYLSULFINYL)-1H-BENZIMIDAZOL-2-YLCARBAMATE","C12 H15 N3 O3 S","O=S(c2ccc1c(nc(n1)NC(=O)OC)c2)CCC;CCC[S](=O)c1ccc2[nH]c(NC(=O)OC)nc2c1;CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC","InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m0/s1","ALBENDAZOLE SULPHOXIDE","2003-06-27","2020-06-17","methyl {5-[(S)-propylsulfinyl]-1H-benzimidazol-2-yl}carbamate",""],["SR1","5-S-methyl-5-thio-alpha-D-ribofuranose","C6 H12 O4 S","OC1C(OC(O)C1O)CSC;CSC[CH]1O[CH](O)[CH](O)[CH]1O;CSCC1C(C(C(O1)O)O)O","InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1","5-S-methyl-5-thio-alpha-D-ribose; 5-S-methyl-5-thio-D-ribose; 5-S-methyl-5-thio-ribose","2005-03-31","2020-07-17","5-S-methyl-5-thio-alpha-D-ribofuranose",""],["SR2","(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide","C20 H20 Br N5 O","Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C;CN(C)CC=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1;CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br","InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+","","2007-08-06","2024-09-27","(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide",""],["ALX","2-O-phosphono-alpha-D-glucopyranose","C6 H13 O9 P","O=P(OC1C(O)C(O)C(OC1O)CO)(O)O;OC[CH]1O[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OP(=O)(O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1","2-O-phosphono-alpha-D-glucose; 2-O-phosphono-D-glucose; 2-O-phosphono-glucose","2014-09-11","2020-07-17","2-O-phosphono-alpha-D-glucopyranose","2015-08-19"],["SR3","(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid","C10 H16 N2 O8 S","O=C(O)C(NC=CC=O)C(C(=O)OCC(=O)N)(C)S(O)O;C[C]([CH](NC=CC=O)C(O)=O)([SH](O)O)C(=O)OCC(N)=O;CC(C(C(=O)O)NC=CC=O)(C(=O)OCC(=O)N)S(O)O","InChI=1S/C10H16N2O8S/c1-10(21(18)19,9(17)20-5-6(11)14)7(8(15)16)12-3-2-4-13/h2-4,7,12,18-19,21H,5H2,1H3,(H2,11,14)(H,15,16)/b3-2+/t7-,10+/m0/s1","","2011-05-12","2024-09-27","(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid (non-preferred name)",""],["ALY","N(6)-ACETYLLYSINE","C8 H16 N2 O3","O=C(NCCCCC(N)C(=O)O)C;CC(=O)NCCCC[CH](N)C(O)=O;CC(=O)NCCCCC(C(=O)O)N","InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1","","2000-08-18","2024-09-27","N~6~-acetyl-L-lysine",""],["SR4","2,3-dihydro-1-benzoxepine-5-carboxylic acid","C11 H10 O3","OC(=O)C1=CCCOc2ccccc12;c1ccc2c(c1)C(=CCCO2)C(=O)O","InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)","","2020-03-11","2020-07-17","2,3-dihydro-1-benzoxepine-5-carboxylic acid","2020-07-22"],["ALZ","2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER","C17 H26 N4 O3","O=C(OCc1ccccc1)N2C(C(=O)NNCCCCN)CCC2;NCCCCNNC(=O)[CH]1CCCN1C(=O)OCc2ccccc2;c1ccc(cc1)COC(=O)N2CCCC2C(=O)NNCCCCN","InChI=1S/C17H26N4O3/c18-10-4-5-11-19-20-16(22)15-9-6-12-21(15)17(23)24-13-14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13,18H2,(H,20,22)/t15-/m0/s1","","1999-07-08","2012-04-02","benzyl (2S)-2-{[2-(4-aminobutyl)hydrazinyl]carbonyl}pyrrolidine-1-carboxylate (non-preferred name)",""],["SR5","(2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid","C27 H27 Cl N4 O5","COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)N[CH](CC(C)C)C(O)=O;CC(C)CC(C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC","InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1","","2020-06-08","2021-02-05","(2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid","2021-02-10"],["AM","AMERICIUM ION","Am","[Am+3];[Am+3];[Am+3]","InChI=1S/Am/q+3","","2015-04-28","2015-07-31","americium(3+)","2015-08-05"],["SR6","dolastatin-10","C42 H68 N6 O6 S","O=C(NC(Cc1ccccc1)c1nccs1)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)c3sccn3)OC)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C)C(C)C;CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1","N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2022-07-07","2022-07-15","N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide","2022-07-20"],["AM0","N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine","C25 H23 N7 O3","O(c1cc(cc(OC)c1OC)Nc2ncnc(n2)n3c5ccccc5nc3Nc4ccccc4)C;COc1cc(Nc2ncnc(n2)n3c(Nc4ccccc4)nc5ccccc35)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5","InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31)","","2008-01-21","2011-06-04","N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine",""],["SR7","N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide","C25 H23 N7 O S","O=C(c1nc2c(nc1)cccc2)Nc6c(c3nc4scc(n4c3)CN5CCNCC5)cccc6;O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5;c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5","InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)","","2013-05-14","2013-06-21","N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide","2013-06-26"],["AM1","(S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID","C8 H10 N2 O5","O=C(O)c1noc(c1CC(C(=O)O)N)C;Cc1onc(C(O)=O)c1CC(N)C(O)=O;Cc1c(c(no1)C(=O)O)CC(C(=O)O)N","InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)","ACPA","2002-07-11","2021-03-01","4-(2-amino-2-carboxyethyl)-5-methylisoxazole-3-carboxylic acid",""],["SR8","1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA","C19 H20 N4 O3","CC(C)(C)c1onc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1;CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3","InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)","","2015-09-24","2015-10-16","1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea","2015-10-21"],["AM2","APRAMYCIN","C21 H41 N5 O11","O3C(OC1OC(CO)C(N)C(O)C1O)C(NC)C(O)C4OC(OC2C(N)CC(N)C(O)C2O)C(N)CC34;CN[CH]1[CH](O)[CH]2O[CH](O[CH]3[CH](N)C[CH](N)[CH](O)[CH]3O)[CH](N)C[CH]2O[CH]1O[CH]4O[CH](CO)[CH](N)[CH](O)[CH]4O;CNC1C(C2C(CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(C(C(O4)CO)N)O)O)O","InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1","NEBRAMYCIN II; 4-O-(3ALPHA-AMINO-6ALPHA-((4-AMINO-4-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY)-2,3,4,5ABETA,6,7,8,8AALPHA-OCTAHYDRO-8BETA-HYDROXY-7BETA-(METHYLAMINO)PYRANO(3,2-B)PYRAN-2ALPHA-YL)-2-DEOXY-D-STREPTAMINE","2005-02-17","2020-05-26","(2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name)",""],["SR9","(2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid","C24 H23 N3 O5 S","CC(C)C[CH](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3cccc4cccnc34)C(O)=O;CC(C)CC(C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4","InChI=1S/C24H23N3O5S/c1-15(2)13-19(24(29)30)26-23(28)18-14-27(20-10-4-3-9-17(18)20)33(31,32)21-11-5-7-16-8-6-12-25-22(16)21/h3-12,14-15,19H,13H2,1-2H3,(H,26,28)(H,29,30)/t19-/m0/s1","","2020-06-04","2021-02-05","(2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid","2021-02-10"],["AM3","(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol","C15 H28 N2 O5","N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC;CCCCCCCCN=C1OC[CH]2[CH](O)[CH](O)[CH](O)[CH](O)N12;CCCCCCCCN=C1N2C(CO1)C(C(C(C2O)O)O)O","InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11+,12+,13-,14+/m1/s1","","2009-04-07","2011-06-04","(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol",""],["SRA","ADENOSINE -5'-THIO-MONOPHOSPHATE","C10 H14 N5 O6 P S","S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=S)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=S)(O)O)O)O)N","InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/t4-,6-,7-,10-/m1/s1","","1999-09-15","2011-06-04","5'-O-thiophosphonoadenosine",""],["AM4","4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE","C8 H10 N2 O2 S","O=S(=O)(c1ccc(C(=[N@H])N)cc1)C;C[S](=O)(=O)c1ccc(cc1)C(N)=N;CS(=O)(=O)c1ccc(cc1)C(=N)N","InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)","","2004-07-15","2011-06-04","4-(methylsulfonyl)benzenecarboximidamide",""],["SRB","L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID","C14 H17 B N O4","O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C;CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)O;[B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O","InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)",""],["AM5","4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide","C31 H30 F3 N7 O2","FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(Nc3ncc(NC(=O)c4cc(ccc4C)C(=O)Nc5cccc(c5)C(F)(F)F)cn3)cc2;Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)","","2008-01-21","2011-06-04","4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide",""],["SRC","[[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C11 H20 N5 O14 P3","CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N;CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10-/m1/s1","","2022-12-19","2023-12-22","[[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-12-27"],["AM6","2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide","C32 H32 F3 N7 O2","FC(F)(F)c1cccc(c1C)C(=O)Nc2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccc(c5C)C(F)(F)F)ccc4C)cn3)cc2;Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F","InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)","","2008-01-21","2011-06-04","2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide",""],["SRD","D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID","C14 H17 B N O4","O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C;CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)O;[B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O","InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m1/s1","","1999-07-08","2024-09-27","[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)",""],["AM7","2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one","C35 H35 F N4 O5","O=C1N(C(=NC=C1c5ccc(Oc4ccnc3cc(OCCCN2CCOCC2)c(OC)cc34)c(F)c5)Cc6ccccc6)C;COc1cc2c(Oc3ccc(cc3F)C4=CN=C(Cc5ccccc5)N(C)C4=O)ccnc2cc1OCCCN6CCOCC6;CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6","InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3","","2007-10-03","2011-06-04","2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one",""],["SRE","(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine","C17 H17 Cl2 N","Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3;CN[CH]1CC[CH](c2ccc(Cl)c(Cl)c2)c3ccccc13;CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl","InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1","Sertraline","2009-04-03","2020-06-17","(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine",""],["AM8","N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide","C23 H22 Cl N3 O3 S","Clc1cccc(c1)N(C)S(=O)(=O)C4=CC=2C(=NC(=O)C=2Cc3c(c(c(n3)C)C)C)C=C4;CN(c1cccc(Cl)c1)[S](=O)(=O)C2=CC3=C(Cc4[nH]c(C)c(C)c4C)C(=O)N=C3C=C2;Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C","InChI=1S/C23H22ClN3O3S/c1-13-14(2)22(25-15(13)3)12-20-19-11-18(8-9-21(19)26-23(20)28)31(29,30)27(4)17-7-5-6-16(24)10-17/h5-11,25H,12H2,1-4H3","","2007-10-03","2011-06-04","N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide",""],["SRF","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","C27 H42 F2 O2","C[CH](CCC(F)(F)C(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(CCC(C(C)(C)O)(F)F)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C","InChI=1S/C27H42F2O2/c1-18-8-11-22(30)17-21(18)10-9-20-7-6-15-26(5)23(12-13-24(20)26)19(2)14-16-27(28,29)25(3,4)31/h9-10,19,22-24,30-31H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23-,24+,26-/m1/s1","","2023-04-13","2024-03-22","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","2024-03-27"],["AM9","6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one","C31 H30 N8 O","O=C3N(c1c(cccc1C)C)c6nc7ccccc7n6c2nc(ncc23)Nc4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(c5nc6ccccc6n5c4n3)c7c(C)cccc7C)cc2;Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C","InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35)","","2008-01-21","2011-06-04","6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one",""],["SRG","(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid","C24 H39 N5 O6","O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC=C1)C(C)C)C(C)C)C(C)C;CC(C)[CH]1NC(=O)[CH](NC(=O)[CH](NC(=O)N[CH](C(C)C)C(O)=O)C(C)C)C=CCCNC(=O)C=C1;CC(C)C1C=CC(=O)NCCC=CC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O","InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10?/t16-,17+,19+,20+/m1/s1","Syringolin A","2007-11-20","2024-09-27","N-{[(1S)-2-methyl-1-{[(3E,5S,8S,9E)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]carbamoyl}propyl]carbamoyl}-L-valine",""],["AMA","2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID","C13 H19 N2 O9 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(CC(=O)O)C(=O)O)O","InChI=1/C13H19N2O9P/c1-7-11(18)9(8(4-14-7)6-24-25(21,22)23)5-15-13(2,12(19)20)3-10(16)17/h4,15,18H,3,5-6H2,1-2H3,(H,16,17)(H,19,20)(H2,21,22,23)/t13-/m0/s1/f/h16,19,21-22H","N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE","1999-07-08","2008-10-14","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-aspartic acid",""],["SRH","ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate","C14 H17 N O3","CCOC(=O)CCC(=O)N1CCc2ccccc12;CCOC(=O)CCC(=O)N1CCc2c1cccc2","InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3","","2020-11-30","2024-09-27","ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate","2021-08-04"],["AMB","L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID","C5 H9 N O3","O=C(O)C(/C=COC)N;COC=C[CH](N)C(O)=O;COC=CC(C(=O)O)N","InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1","","1999-09-21","2011-06-04","(2S,3Z)-2-amino-4-methoxybut-3-enoic acid",""],["SRI","(2Z)-3-HYDROXY-2-IMINOPROPANOIC ACID","C3 H5 N O3","O=C(O)C(=[N@H])CO;OCC(=N)C(O)=O;C(C(=N)C(=O)O)O","InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+","IMINO-SERINE","2006-12-14","2011-12-12","(2E)-3-hydroxy-2-iminopropanoic acid",""],["AMC","AMINOMETHYLCYCLOHEXANE","C7 H16 N","[NH3+]CC1CCCCC1;[NH3+]CC1CCCCC1;C1CCC(CC1)C[NH3+]","InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1","","1999-07-08","2011-06-04","cyclohexylmethanaminium",""],["SRJ","(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol","C18 H25 N O2","O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4;c1ccc(cc1)C(C2C3(CCC(N2CC4CC4)CC3)O)O","InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1","","2020-03-11","2020-07-17","(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol","2020-07-22"],["AMD","ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE","C14 H19 N6 O9 P","O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;N[CH](CC(O)=O)C(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OC(=O)C(CC(=O)O)N)O)N","InChI=1S/C14H19N6O9P/c15-6(1-10(22)23)14(24)29-30(25,26)27-3-8-7(21)2-9(28-8)20-5-19-11-12(16)17-4-18-13(11)20/h4-9,21H,1-3,15H2,(H,22,23)(H,25,26)(H2,16,17,18)/t6-,7-,8+,9+/m0/s1","","1999-07-20","2020-02-14","5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine",""],["SRK","4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid","C12 H13 N O3","OC(=O)CCC(=O)N1CCc2ccccc12;c1ccc2c(c1)CCN2C(=O)CCC(=O)O","InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,15,16)","","2020-11-30","2021-07-30","4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid","2021-08-04"],["AME","N-ACETYLMETHIONINE","C7 H13 N O3 S","O=C(NC(C(=O)O)CCSC)C;CSCC[CH](NC(C)=O)C(O)=O;CC(=O)NC(CCSC)C(=O)O","InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1","","2000-05-11","2024-09-27","N-acetyl-L-methionine",""],["SRL","[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER","C24 H42 O7 P2","O=P(OCC)(OCC)/C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC;CCO[P](=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)[P](=O)(OCC)OCC;CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC","InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3","SR12813","2001-05-22","2020-06-17","tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate)",""],["AMF","(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol","C15 H28 N2 O4 S","N(=C1SCC2N1C(O)C(O)C(O)C2O)CCCCCCCC;CCCCCCCCN=C1SC[CH]2[CH](O)[CH](O)[CH](O)[CH](O)N12;CCCCCCCCN=C1N2C(CS1)C(C(C(C2O)O)O)O","InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1","","2009-04-07","2011-06-04","(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol",""],["SRM","SIROHEME","C42 H44 Fe N4 O16","O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O;C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=NC1=CC3=NC(=Cc4n5[Fe][N]6C(=C2)C(=C(CCC(O)=O)C6=Cc5c(CCC(O)=O)c4CC(O)=O)CC(O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O;CC1(C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36N7C(=C5)C(=C(C7=CC8=[N]6C(=C2)C(C8CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23?,24-,41+,42+;/m1./s1","","1999-07-08","2024-09-27","{3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron",""],["AMG","methyl alpha-D-galactopyranoside","C7 H14 O6","OC1C(O)C(O)C(OC1OC)CO;CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1","ALPHA-METHYL-D-GALACTOSIDE; methyl alpha-D-galactoside; methyl D-galactoside; methyl galactoside","1999-07-08","2020-07-17","methyl alpha-D-galactopyranoside",""],["SRN","SORANGICIN A","C47 H66 O11","O=C2OC1C=CC(OC1C(=C/C(C)CCCCC(=O)O)/C)CC=CCCC=CC(O)C(O)C5OC(CC=CC4OC3CC(OC3C=CC=CC=C2)C4C)C(C)C(O)C5;C[CH](CCCCC(O)=O)C=C(C)[CH]1O[CH]2CC=CCCC=C[CH](O)[CH](O)[CH]3C[CH](O)[CH](C)[CH](CC=C[CH]4O[CH]5C[CH](O[CH]5C=CC=CC=CC(=O)O[CH]1C=C2)[CH]4C)O3;CC1C2CC=CC3C(C4CC(O3)C(O4)C=CC=CC=CC(=O)OC5C=CC(CC=CCCC=CC(C(C(O2)CC1O)O)O)OC5C(=CC(C)CCCCC(=O)O)C)C","InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30-,32-,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,46+,47+/m1/s1","","2005-01-25","2011-06-04","(6R,7E)-6-methyl-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E,34S,36S,40R)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1~12,16~.1~20,24~.0~10,14~]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid (non-preferred name)",""],["AMH","TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID","C8 H15 N O2","O=C(O)C1CCC(CN)CC1;NC[CH]1CC[CH](CC1)C(O)=O;C1CC(CCC1CN)C(=O)O","InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-","","1999-07-08","2011-06-04","trans-4-(aminomethyl)cyclohexanecarboxylic acid",""],["SRO","SEROTONIN","C10 H12 N2 O","Oc1cc2c(cc1)ncc2CCN;NCCc1c[nH]c2ccc(O)cc12;c1cc2c(cc1O)c(c[nH]2)CCN","InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2","3-(2-AMINOETHYL)-1H-INDOL-5-OL","2007-07-11","2024-09-27","3-(2-aminoethyl)-1H-indol-5-ol",""],["AMI","ALLOSAMIZOLINE","C9 H16 N2 O4","N1=C(OC2C1C(O)C(O)C2CO)N(C)C;CN(C)C1=N[CH]2[CH](O)[CH](O)[CH](CO)[CH]2O1;CN(C)C1=NC2C(C(C(C2O1)CO)O)O","InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1","","1999-07-08","2011-06-04","(3aR,4R,5R,6R,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol",""],["SRP","SERYL ADENYLATE","C13 H19 N6 O9 P","O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO;N[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CO)N)O)O)N","InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1","","2004-06-29","2011-06-04","5'-O-[(S)-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["AMJ","N~2~-acetyl-N-benzyl-O-methyl-L-serinamide","C13 H18 N2 O3","O=C(NC(C(=O)NCc1ccccc1)COC)C;COC[CH](NC(C)=O)C(=O)NCc1ccccc1;CC(=O)NC(COC)C(=O)NCc1ccccc1","InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1","","2009-07-30","2011-06-04","N~2~-acetyl-N-benzyl-O-methyl-L-serinamide",""],["SRQ","2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate","C14 H15 F2 N O3","FC(F)COC(=O)CCC(=O)N1CCc2ccccc12;c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F","InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2","","2020-11-30","2024-09-27","2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate","2021-08-04"],["AML","AMYLAMINE","C5 H13 N","NCCCCC;CCCCCN;CCCCCN","InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3","","2001-07-05","2024-09-27","pentan-1-amine",""],["SRR","4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol","C24 H24 O3","O(c1ccc(cc1)/C(=C(/c2ccc(O)cc2)c3ccc(O)cc3)CC)CC;CCOc1ccc(cc1)C(CC)=C(c2ccc(O)cc2)c3ccc(O)cc3;CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC","InChI=1S/C24H24O3/c1-3-23(17-9-15-22(16-10-17)27-4-2)24(18-5-11-20(25)12-6-18)19-7-13-21(26)14-8-19/h5-16,25-26H,3-4H2,1-2H3","","2011-01-20","2012-01-06","4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol",""],["AMM","(2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SILYL]METHYL}-4-METHYLPENTANAL","C8 H19 N O3 Si","O=CC(CC(C)C)C[Si](O)(O)CN;CC(C)C[CH](C[Si](O)(O)CN)C=O;CC(C)CC(C[Si](CN)(O)O)C=O","InChI=1S/C8H19NO3Si/c1-7(2)3-8(4-10)5-13(11,12)6-9/h4,7-8,11-12H,3,5-6,9H2,1-2H3/t8-/m0/s1","","2005-01-14","2011-06-04","(2S)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal",""],["SRS","4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE","C25 H39 N5 O2 S","O=C(NC3C(=O)NCCCCCCn2c1ccccc1c(c2)C3)C(CS(=N)(=N)C)CC(C)C;CC(C)C[CH](C[S](C)(=N)=N)C(=O)N[CH]1Cc2cn(CCCCCCNC1=O)c3ccccc23;CC(C)CC(CS(=N)(=N)C)C(=O)NC1Cc2cn(c3c2cccc3)CCCCCCNC1=O","InChI=1S/C25H39N5O2S/c1-18(2)14-20(17-33(3,26)27)24(31)29-22-15-19-16-30(23-11-7-6-10-21(19)23)13-9-5-4-8-12-28-25(22)32/h6-7,10-11,16,18,20,22,26-27H,4-5,8-9,12-15,17H2,1-3H3,(H,28,32)(H,29,31)/t20-,22+/m1/s1","","1999-07-08","2011-06-04","(2S)-4-methyl-2-[(S-methylsulfonodiimidoyl)methyl]-N-[(10S)-9-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,12-(metheno)-1,8-benzodiazacyclotetradecin-10-yl]pentanamide",""],["AMN","methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C12 H22 N2 O8","O=C(O)C1(OC)OC(C(O)C(O)CN)C(NC(=O)C)C(O)C1;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CN)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CN)O)O)(C(=O)O)OC)O","InChI=1S/C12H22N2O8/c1-5(15)14-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-13/h6-10,16-18H,3-4,13H2,1-2H3,(H,14,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1","9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID; methyl\n5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-galacto-non-2-ulosidonic acid","1999-07-08","2020-07-17","methyl 5-(acetylamino)-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["SRT","S,R MESO-TARTARIC ACID","C4 H6 O6","O=C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)O","InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+","","2005-09-15","2011-06-04","(2R,3S)-2,3-dihydroxybutanedioic acid",""],["AMO","ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE","C14 H19 N6 O10 P","O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC(O)=O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CC(=O)O)N)O)O)N","InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1","","2000-11-16","2011-06-04","5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine",""],["SRU","1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one","C19 H20 N2 O3","O=C(C)N1N=C(CC1c1ccc(OC)c(OC)c1)c1ccccc1;COc1ccc(cc1OC)[CH]2CC(=NN2C(C)=O)c3ccccc3;CC(=O)N1C(CC(=N1)c2ccccc2)c3ccc(c(c3)OC)OC","InChI=1S/C19H20N2O3/c1-13(22)21-17(12-16(20-21)14-7-5-4-6-8-14)15-9-10-18(23-2)19(11-15)24-3/h4-11,17H,12H2,1-3H3/t17-/m0/s1","","2022-07-08","2024-09-27","1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one","2023-05-17"],["AMP","ADENOSINE MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2025-04-15","5'-adenylic acid",""],["SRV","(2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid","C45 H84 O11","OC1C(O)C(O)C(OC1C(O)=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)COC(=O)CCCCCCCC[CH](C)CCCCCCCC;CCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)C(=O)O)O)O)O)COC(=O)CCCCCCCCC(C)CCCCCCCC","InChI=1S/C45H84O11/c1-4-6-8-10-12-13-14-15-16-17-18-19-25-29-33-39(47)55-37(35-54-45-42(50)40(48)41(49)43(56-45)44(51)52)34-53-38(46)32-28-24-21-20-23-27-31-36(3)30-26-22-11-9-7-5-2/h36-37,40-43,45,48-50H,4-35H2,1-3H3,(H,51,52)/t36-,37+,40-,41-,42+,43-,45-/m0/s1","","2018-10-18","2019-09-27","(2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid","2019-10-02"],["AMQ","(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID","C7 H10 N2 O4","O=C(O)C(N)Cc1c(onc1O)C;Cc1onc(O)c1C[CH](N)C(O)=O;Cc1c(c(no1)O)CC(C(=O)O)N","InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1","AMPA","2000-09-27","2020-06-17","3-(3-hydroxy-5-methylisoxazol-4-yl)-L-alanine",""],["SRW","2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol","C26 H31 F N4 O2","COc5c(C4CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC4)cccc5;COc1ccccc1C2CCN(CC2)c3nc(nc4ccc(cc34)N(C)CCO)C5(F)CC5;CN(CCO)c1ccc2c(c1)c(nc(n2)C3(CC3)F)N4CCC(CC4)c5ccccc5OC","InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3","","2019-11-22","2023-03-24","2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol","2023-03-29"],["AMR","3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE","C6 H8 Cl N7 O","Clc1nc(C(=O)NC(=[N@H])N)c(nc1N)N;NC(=N)NC(=O)c1nc(Cl)c(N)nc1N;c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N","InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)","AMILORIDE","2000-07-18","2020-06-17","3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide",""],["SRX","chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)","C30 H34 Cl N4 O3 Ru S","O=S(=O)(N)c1ccc(cc1)C(=O)NC4c2[n+](cccc2)[Ru]%10%109876([n+]3ccccc34)C5(C%10(C9(C8(C7(C)C56C)C)C)C)C;CC1|2C|3(C)C|4(C)C|5(C)C|6(C)C1(C)|[Ru]7|2|3|4|5|6(Cl)[n+]8ccccc8[CH](NC(=O)c9ccc(cc9)[S](N)(=O)=O)c%10cccc[n+]7%10;CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C","InChI=1S/C18H16N4O3S.C12H18.ClH.Ru/c19-26(24,25)14-9-7-13(8-10-14)18(23)22-17(15-5-1-3-11-20-15)16-6-2-4-12-21-16;1-7-8(2)10(4)12(6)11(5)9(7)3;;/h1-12,17H,(H,22,23)(H2,19,24,25);1-6H3;1H;/q;;;+3/p-1","","2011-02-15","2011-07-08","chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)",""],["AMS","3-MERCURI-4-AMINOBENZENESULFONAMIDE","C6 H7 Hg N2 O2 S","O=S(=O)(c1cc([Hg])c(N)cc1)N;Nc1ccc(cc1[Hg])[S](N)(=O)=O;c1cc(c(cc1S(=O)(=O)N)[Hg])N","InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;/h1,3-4H,7H2,(H2,8,9,10);","","1999-07-08","2011-06-04","(2-amino-5-sulfamoylphenyl)mercury",""],["SRY","STREPTOMYCIN","C21 H39 N7 O12","O=CC3(O)C(OC1OC(C(O)C(O)C1NC)CO)C(OC2C(NC(=[N@H])N)C(O)C(NC(=[N@H])N)C(O)C2O)OC3C;CN[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O[CH](C)[C]2(O)C=O)O[CH]3[CH](O)[CH](O)[CH](NC(N)=N)[CH](O)[CH]3NC(N)=N;CC1C(C(C(O1)OC2C(C(C(C(C2O)O)NC(=N)N)O)NC(=N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O","InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1","STREPTOMYCIN A","2000-08-25","2020-06-17","N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine",""],["AMT","2-AMINOTHIAZOLE","C3 H4 N2 S","n1ccsc1N;Nc1sccn1;c1csc(n1)N","InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","","1999-07-08","2011-06-04","1,3-thiazol-2-amine",""],["SRZ","PROPOXY-L-SERINE","C6 H13 N O4","O=C(O)C(N)COCCCO;N[CH](COCCCO)C(O)=O;C(CO)COCC(C(=O)O)N","InChI=1S/C6H13NO4/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1","","2013-11-05","2024-09-27","O-(3-hydroxypropyl)-L-serine","2013-12-04"],["AMU","N-acetyl-beta-muramic acid","C11 H19 N O8","O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C;C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C","InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1","N-acetyl-muramic acid; BETA-N-ACETYLMURAMIC ACID","1999-07-08","2024-09-27","2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose",""],["SS0","(8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine","C18 H29 N5 O","n3c2ccc1OCC(Cc1c2n(c3N)CCCN(C)C)CN(C)C;CN(C)CCCn1c(N)nc2ccc3OC[CH](CN(C)C)Cc3c12;CN(C)CCCn1c2c(ccc3c2CC(CO3)CN(C)C)nc1N","InChI=1S/C18H29N5O/c1-21(2)8-5-9-23-17-14-10-13(11-22(3)4)12-24-16(14)7-6-15(17)20-18(23)19/h6-7,13H,5,8-12H2,1-4H3,(H2,19,20)/t13-/m1/s1","","2011-10-06","2012-03-16","(8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine",""],["AMV","methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside","C12 H21 N O8","O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C;CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O;CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C","InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1","METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE; methyl\n2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucoside; methyl\n2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucoside; methyl\n2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-glucoside","2006-10-25","2024-09-27","methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside",""],["SS1","1-PHENYLETHANOL","C8 H10 O","OC(c1ccccc1)C;C[CH](O)c1ccccc1;CC(c1ccccc1)O","InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1","(1S)-1-PHENYL-ETHANOL","2003-09-30","2021-03-01","(1S)-1-phenylethanol",""],["AMW","ADENOSINE MONOTUNGSTATE","C10 H14 N5 O7 W","O=[W](O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[W](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[W](=O)(O)O)O)O)N","InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);2*1H2;;/q-1;;;;+3/p-2/t4-,6-,7-,10-;;;;/m1..../s1","","1999-07-08","2011-06-04","(adenosinato-kappaO~5'~)(dihydroxy)oxotungsten",""],["SS2","(1R)-1-PHENYLETHANOL","C8 H10 O","OC(c1ccccc1)C;C[CH](O)c1ccccc1;CC(c1ccccc1)O","InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1","1-PHENYLETHANOL","2005-06-13","2020-06-17","(1R)-1-phenylethanol",""],["AMX","AMIDOCARBOXYMETHYLDETHIA COENZYME *A","C23 H39 N8 O17 P3","O=C(N)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCCC(N)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCC(=O)N)O","InChI=1S/C23H39N8O17P3/c1-23(2,18(35)21(36)27-7-5-14(33)26-6-3-4-13(24)32)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H2,24,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1","","1999-07-08","2011-06-04","(3R)-4-({3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["SS3","(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE","C22 H22 N4 O","n2c(c1cc(ccc1n2)c4cc(OCC(N)Cc3ccccc3)cnc4)C;Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4ccccc4)c3;Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4ccccc4)N","InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1","","2007-05-01","2011-06-04","(2S)-1-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine",""],["AMY","ANTIMYCIN","C27 H38 N2 O9","O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)CC(C)C)C(C(=O)OC2C)CCCCC)C;CCCCC[CH]1[CH](OC(=O)CC(C)C)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O;CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C","InChI=1S/C27H38N2O9/c1-6-7-8-10-19-24(38-21(31)13-15(2)3)17(5)37-27(35)22(16(4)36-26(19)34)29-25(33)18-11-9-12-20(23(18)32)28-14-30/h9,11-12,14-17,19,22,24,32H,6-8,10,13H2,1-5H3,(H,28,30)(H,29,33)/t16-,17+,19+,22-,24-/m0/s1","","1999-07-08","2011-06-04","(2S,3S,6R,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl 3-methylbutanoate (non-preferred name)",""],["SS4","3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE","C22 H21 Br N4 O","Brc1ccc(cc1)CC(N)COc4cc(c2cc3c(cc2)nnc3C)cnc4;Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4ccc(Br)cc4)c3;Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4ccc(cc4)Br)N","InChI=1S/C22H21BrN4O/c1-14-21-10-16(4-7-22(21)27-26-14)17-9-20(12-25-11-17)28-13-19(24)8-15-2-5-18(23)6-3-15/h2-7,9-12,19H,8,13,24H2,1H3,(H,26,27)/t19-/m0/s1","","2007-05-02","2011-06-04","(2S)-1-(4-bromophenyl)-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine",""],["AMZ","AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE","C9 H15 N4 O8 P","O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N;NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N","InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1","AICAR","2002-08-15","2020-06-17","5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide",""],["SS5","(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE","C29 H34 N4 O2","O(c1cccc(c1)CC(N)COc4cc(c2cc3c(cc2)nnc3C)cnc4)CC5CCCCC5;Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4cccc(OCC5CCCCC5)c4)c3;Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4cccc(c4)OCC5CCCCC5)N","InChI=1S/C29H34N4O2/c1-20-28-15-23(10-11-29(28)33-32-20)24-14-27(17-31-16-24)35-19-25(30)12-22-8-5-9-26(13-22)34-18-21-6-3-2-4-7-21/h5,8-11,13-17,21,25H,2-4,6-7,12,18-19,30H2,1H3,(H,32,33)/t25-/m0/s1","","2007-05-01","2011-06-04","(2S)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine",""],["AN0","N-ACETYL-L-NORVALINE","C7 H13 N O3","O=C(NC(C(=O)O)CCC)C;CCC[CH](NC(C)=O)C(O)=O;CCCC(C(=O)O)NC(=O)C","InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1","","2005-06-08","2011-06-04","N-acetyl-L-norvaline",""],["SS6","1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea","C29 H30 N8 O","O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C;Cc1cccc(c1)n2nc(cc2NC(=O)Nc3cccc(Nc4ncnc5ccc(N)cc45)c3)C(C)(C)C;Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N","InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)","","2009-03-06","2011-06-04","1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea",""],["AN1","3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID","C18 H16 O2","O=C(O)CCc2c3c(c(c1c2cccc1)C)cccc3;Cc1c2ccccc2c(CCC(O)=O)c3ccccc13;Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O","InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)","","2002-06-20","2011-06-04","3-(10-methylanthracen-9-yl)propanoic acid",""],["SS7","4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate","C21 H21 N O5","O=C(Oc3cc(c(OCC(N2C(=O)c1ccccc1C2=O)C)c(c3)C)C)C;C[CH](COc1c(C)cc(OC(C)=O)cc1C)N2C(=O)c3ccccc3C2=O;Cc1cc(cc(c1OCC(C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C","InChI=1S/C21H21NO5/c1-12-9-16(27-15(4)23)10-13(2)19(12)26-11-14(3)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-10,14H,11H2,1-4H3/t14-/m0/s1","","2014-01-07","2014-12-26","4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate","2014-12-31"],["AN2","AMP PHOSPHORAMIDATE","C10 H16 N6 O9 P2","O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](N)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(N)O)O)O)N","InChI=1S/C10H16N6O9P2/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-27(21,22)25-26(12,19)20/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1","","2004-12-17","2011-06-04","5'-O-[(S)-{[(S)-amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["SS8","3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID","C15 H11 N O3","O=C(O)c3cc2occ(C=C/c1ccccc1)c2n3;OC(=O)c1[nH]c2c(occ2C=Cc3ccccc3)c1;c1ccc(cc1)C=Cc2coc3c2[nH]c(c3)C(=O)O","InChI=1S/C15H11NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)/b7-6-","","2013-02-15","2013-05-10","3-[(Z)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid","2013-05-15"],["AN3","ANTHRACENE","C14 H10","c3ccc2cc1ccccc1cc2c3;c1ccc2cc3ccccc3cc2c1;c1ccc2cc3ccccc3cc2c1","InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H","","2006-07-13","2011-06-04","anthracene",""],["SS9","5-[(3-aminopropyl)amino]pentane-1-thiol","C8 H20 N2 S","C(N)CCNCCCCCS;NCCCNCCCCCS;C(CCNCCCN)CCS","InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2","","2015-05-18","2015-07-24","5-[(3-aminopropyl)amino]pentane-1-thiol","2015-07-29"],["AN4","3,4,5,6-tetrahydro-2,3'-bipyridine","C10 H12 N2","n2cc(C1=NCCCC1)ccc2;C1CCC(=NC1)c2cccnc2;c1cc(cnc1)C2=NCCCC2","InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2","anabaseine","2009-07-09","2020-06-17","3,4,5,6-tetrahydro-2,3'-bipyridine",""],["SSA","5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE","C13 H19 N7 O8 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO;N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CO)N)O)O)N","InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1","","1999-07-08","2011-06-04","5'-O-(L-serylsulfamoyl)adenosine",""],["AN5","5-amino-1-pyridin-3-ylpentan-1-one","C10 H14 N2 O","O=C(c1cccnc1)CCCCN;NCCCCC(=O)c1cccnc1;c1cc(cnc1)C(=O)CCCCN","InChI=1S/C10H14N2O/c11-6-2-1-5-10(13)9-4-3-7-12-8-9/h3-4,7-8H,1-2,5-6,11H2","","2009-07-09","2011-06-04","5-amino-1-pyridin-3-ylpentan-1-one",""],["SSB","3-BUTYLTHIOLANE 1-OXIDE","C8 H16 O S","O=S1CCC(CCCC)C1;CCCC[CH]1CC[S](=O)C1;CCCCC1CCS(=O)C1","InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m0/s1","","1999-07-08","2012-01-05","(1S,3S)-3-butyltetrahydrothiophene 1-oxide",""],["AN6","5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine","C16 H25 N7 O5","O=C(O)C(N)CCN(CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C16H25N7O5/c1-2-22(4-3-8(17)16(26)27)5-9-11(24)12(25)15(28-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-25H,2-5,17H2,1H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1","","2009-07-28","2024-09-27","5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine",""],["SSC","(2S,5S)-5-CARBOXYMETHYLPROLINE","C7 H11 N O4","O=C(O)CC1NC(C(=O)O)CC1;OC(=O)C[CH]1CC[CH](N1)C(O)=O;C1CC(NC1CC(=O)O)C(=O)O","InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1","","2003-07-24","2011-06-04","(5S)-5-(carboxymethyl)-L-proline",""],["AN7","(3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid","C11 H12 N O8 P","O=C(O)C(=O)C=Cc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=CC(=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=O)C(=O)O)O","InChI=1S/C11H12NO8P/c1-6-10(14)8(2-3-9(13)11(15)16)7(4-12-6)5-20-21(17,18)19/h2-4,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/b3-2+","","2010-02-27","2011-06-04","(3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid",""],["SSD","1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT","C9 H18 O9 S2","[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1;OC[CH](O[S]([O-])([O-])[O-])[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O","InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,19+/m0/s1","DIASTEREOMER OF SALACINOL","2004-06-22","2020-06-17","({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)",""],["AN8","(2S)-2-aminononanoic acid","C9 H19 N O2","O=C(O)C(N)CCCCCCC;CCCCCCC[CH](N)C(O)=O;CCCCCCCC(C(=O)O)N","InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1","","2011-07-15","2012-01-13","(2S)-2-aminononanoic acid",""],["SSE","1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT","C9 H18 O9 S Se","[O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1;OC[CH](O[S]([O-])([O-])[O-])[CH](O)C[Se+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([Se+]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O","InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7-,8-,9+,20-/m1/s1","SELENO-SALACINOL; BLINTOL","2004-06-22","2020-05-27","({[(1R,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)",""],["AN9","1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE","C28 H36 N4 O4","O=C(Nc3c2C(=O)c1cccc(c1C(=O)c2ccc3)NC(=O)CCN(CC)CC)CCN(CC)CC;CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(NC(=O)CCN(CC)CC)cccc3C(=O)c12;CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC","InChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)","","2004-10-26","2011-06-04","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis[3-(diethylamino)propanamide] (non-preferred name)",""],["SSF","2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid","C18 H16 N2 O4","O=C(O)c1c(N)ccc(c1)C(=O)c2c(c(OC)c3ccccn23)C;COc1c(C)c(n2ccccc12)C(=O)c3ccc(N)c(c3)C(O)=O;Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC","InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)","","2011-06-02","2012-06-01","2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid",""],["ANA","methyl 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C14 H23 N O10","O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(OC(=O)C)C1;CO[C]1(C[CH](OC(C)=O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC)OC(=O)C","InChI=1S/C14H23NO10/c1-6(17)15-10-9(24-7(2)18)4-14(23-3,13(21)22)25-12(10)11(20)8(19)5-16/h8-12,16,19-20H,4-5H2,1-3H3,(H,15,17)(H,21,22)/t8-,9+,10-,11-,12-,14-/m1/s1","4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID; methyl\n4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosidonic acid","1999-07-08","2020-07-17","methyl 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["SSG","1,4-dithio-beta-D-glucopyranose","C6 H12 O4 S2","OC1C(S)C(OC(S)C1O)CO;OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)S)O)O)S)O","InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1","1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE; 1,4-dithio-beta-D-glucose; 1,4-dithio-D-glucose; 1,4-dithio-glucose","2000-07-13","2020-07-17","1,4-dithio-beta-D-glucopyranose",""],["ANB","ANDROSTA-1,4-DIENE-3,17-DIONE","C19 H24 O2","O=C1C=CC3(C(=C1)CCC4C2CCC(=O)C2(CCC34)C)C;C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C","InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1","","2001-06-04","2011-06-04","(8alpha,14beta)-androsta-1,4-diene-3,17-dione",""],["SSH","3-DEOXY-D-ARABINO-HEXONIC ACID","C6 H12 O6","O=C(O)C(O)CC(O)C(O)CO;OC[CH](O)[CH](O)C[CH](O)C(O)=O;C(C(C(CO)O)O)C(C(=O)O)O","InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1","D-2-KETO-3-DEOXYGLUCONATE","2004-07-17","2024-09-27","3-deoxy-D-arabino-hexonic acid",""],["ANC","ANTHRACEN-1-YLAMINE","C14 H11 N","c3cc2cc1cccc(N)c1cc2cc3;Nc1cccc2cc3ccccc3cc12;c1ccc2cc3c(cccc3N)cc2c1","InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2","AMINOANTHRACENE","2000-12-08","2020-06-17","anthracen-1-amine",""],["SSI","[(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid","C11 H17 N4 O5 P","O=P(O)(O)CCC(NCc2c1N=CNC(=O)c1nc2)CO;OC[CH](CC[P](O)(O)=O)NCc1c[nH]c2C(=O)NC=Nc12;c1c(c2c([nH]1)C(=O)NC=N2)CNC(CCP(=O)(O)O)CO","InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1","S-SerMe-ImmH phosphonate","2010-09-27","2020-06-17","[(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid",""],["AND","3-BETA-HYDROXY-5-ANDROSTEN-17-ONE","C19 H28 O2","O=C3CCC4C1C(C2(C(=CC1)CC(O)CC2)C)CCC34C;C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C","InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1","","1999-07-08","2011-06-04","(3alpha,8alpha)-3-hydroxyandrost-5-en-17-one",""],["SSJ","2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)","C19 H28 N3 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(C#CC1=CC(N(O)C1(C)C)(C)C)=C2)CC3O;CC1(C)C=C(C#CC2=CN([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C(=O)NC2=O)C(C)(C)N1O;CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C","InChI=1S/C19H28N3O15P3/c1-18(2)8-12(19(3,4)22(18)26)6-5-11-9-21(17(25)20-16(11)24)15-7-13(23)14(35-15)10-34-39(30,31)37-40(32,33)36-38(27,28)29/h8-9,13-15,23,26H,7,10H2,1-4H3,(H,30,31)(H,32,33)(H,20,24,25)(H2,27,28,29)/t13-,14+,15+/m0/s1","","2010-09-20","2011-06-04","2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)",""],["ANE","ADENINE","C5 H5 N5","n1c(c2ncnc2nc1)N;Nc1ncnc2[nH]cnc12;c1[nH]c2c(n1)c(ncn2)N","InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/f/h9H,6H2","","1999-07-08","2008-10-14","9H-purin-6-amine",""],["SSK","(1S,2S)-1,2-diphenylethane-1,2-diamine","C14 H16 N2","NC(C(N)c1ccccc1)c2ccccc2;N[CH]([CH](N)c1ccccc1)c2ccccc2;c1ccc(cc1)C(C(c2ccccc2)N)N","InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1","","2015-09-03","2017-10-06","(1S,2S)-1,2-diphenylethane-1,2-diamine","2017-10-11"],["ANF","ANTHRONE","C14 H10 O","Oc2c3c(cc1c2cccc1)cccc3;Oc1c2ccccc2cc3ccccc13;c1ccc2c(c1)cc3ccccc3c2O","InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H","","2005-02-04","2011-06-04","anthracen-9-ol",""],["SSL","(3-{[2-(DIHYDROXYAMINO)-4-(2LAMBDA~5~-TRIAZA-1,2-DIENYL)PHENYL]AMINO}-9-HYDROXY-8,8,10,10-TETRAMETHYL-1,5-DIOXA-9-AZASPIRO[5.5]UNDEC-3-YL)METHYL TRIHYDROGEN DIPHOSPHATE","C19 H30 N6 O12 P2","[O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NC2(COC3(OC2)CC(N(O)C(C)(C)C3)(C)C)COP(=O)(O)OP(=O)(O)O;CC1(C)CC2(CC(C)(C)N1O)OCC(CO2)(CO[P](O)(=O)O[P](O)(O)=O)Nc3ccc(cc3[N+]([O-])=O)N=[N+]=[N-];CC1(CC2(CC(N1O)(C)C)OCC(CO2)(COP(=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C","InChI=1S/C19H30N6O12P2/c1-16(2)8-19(9-17(3,4)25(16)28)34-10-18(11-35-19,12-36-39(32,33)37-38(29,30)31)21-14-6-5-13(22-23-20)7-15(14)24(26)27/h5-7,21,28H,8-12H2,1-4H3,(H,32,33)(H2,29,30,31)","","2003-04-22","2011-06-04","{3-[(4-azido-2-nitrophenyl)amino]-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl}methyl trihydrogen diphosphate",""],["ANG","8-AMINOGUANINE","C5 H6 N6 O","O=C1c2nc(nc2N=C(N1)N)N;NC1=Nc2[nH]c(N)nc2C(=O)N1;c12c([nH]c(n1)N)N=C(NC2=O)N","InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)","","2002-06-13","2011-06-04","2,8-diamino-1,9-dihydro-6H-purin-6-one",""],["SSM","(2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide","C8 H16 N2 O3 S","O=C(NC(C(=O)NC)CCS(=O)C)C;CNC(=O)[CH](CC[S](C)=O)NC(C)=O;CC(=O)NC(CCS(=O)C)C(=O)NC","InChI=1S/C8H16N2O3S/c1-6(11)10-7(8(12)9-2)4-5-14(3)13/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-,14-/m0/s1","","2007-12-26","2011-06-04","(2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide",""],["ANH","METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE","C20 H24 N4 O5 S","O=S(=O)(c1ccc(cc1)C)NCC(=O)NC(C(=O)OC)Cc2cc(ccc2)C(=[N@H])N;COC(=O)[CH](Cc1cccc(c1)C(N)=N)NC(=O)CN[S](=O)(=O)c2ccc(C)cc2;Cc1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)OC","InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1","NALPHA-(2-NAPHTHYLSULFONYLGLYCYL)-3-AMIDINO-D,L-PHENYLALANINE-ISOPROPYLESTER","2003-10-20","2021-03-13","methyl N-[(4-methylphenyl)sulfonyl]glycyl-3-carbamimidoyl-L-phenylalaninate",""],["SSN","4-oxobutanoic acid","C4 H6 O3","O=CCCC(=O)O;OC(=O)CCC=O;C(CC(=O)O)C=O","InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)","Succinic semialdehyde","2011-01-31","2024-09-27","4-oxobutanoic acid",""],["ANI","4-(trifluoromethyl)aniline","C7 H6 F3 N","FC(F)(F)c1ccc(N)cc1;Nc1ccc(cc1)C(F)(F)F;c1cc(ccc1C(F)(F)F)N","InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2","","1999-07-08","2011-06-04","4-(trifluoromethyl)aniline",""],["SSO","1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT","C9 H18 O9 S2","[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1;OC[CH](O[S]([O-])([O-])[O-])[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O","InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1","SALACINOL","2004-06-22","2021-03-01","({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)",""],["ANJ","(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE","C28 H40 N2 O9","O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)C(C)CC)C(C(=O)OC2C)CCCCCC)C;CCCCCC[CH]1[CH](OC(=O)[CH](C)CC)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O;CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)CC","InChI=1S/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)/t16-,17+,18-,20+,22-,24-/m0/s1","","2006-03-02","2011-06-04","(2R,3S,6S,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2S)-2-methylbutanoate (non-preferred name)",""],["SSP","DITHIOBIS-(PROPANE)","C6 H14 S2","dipropyl disulfide;CCCSSCCC;CCCSSCCC","InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3","","1999-07-08","2011-06-04","1,1'-disulfanediyldipropane",""],["ANK","9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine","C10 H17 N6 O12 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N","InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m0/s1","","2010-09-13","2011-09-02","9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine",""],["SSQ","6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one","C11 H7 Cl N4 O S","Clc1ccccc1SC2=NN3C(=O)NN=C3C=C2;c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl","InChI=1S/C11H7ClN4OS/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17)","6-(2-chlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one;  6-(2-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2020-11-30","2021-12-03","6-(2-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2021-12-08"],["ANL","ANILINE","C6 H7 N","Nc1ccccc1;Nc1ccccc1;c1ccc(cc1)N","InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2","","1999-07-08","2011-06-04","aniline",""],["SSR","2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol","C28 H28 F N3 O2","O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5;Cc1c(F)cccc1Cc2n(c3ccccc3)c4ccc(O)c(C)c4c2C(=O)N5CCNCC5;Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5","InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3","[2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone","2010-09-01","2020-06-17","[2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone",""],["ANM","ANISOMYCIN","C14 H19 N O4","O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C;COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1;CC(=O)OC1C(CNC1Cc2ccc(cc2)OC)O","InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1","","2001-10-30","2011-06-04","(2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate",""],["SSS","N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID","C13 H19 N4 O12 P","O=C(O)CC(C(=O)O)NC(=O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O;Nc1n(cnc1C(=O)N[CH](CC(O)=O)C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9-,12+/m0/s1","N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID","2006-05-24","2021-03-01","N-{[5-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid",""],["ANN","4-METHOXYBENZOIC ACID","C8 H8 O3","O=C(O)c1ccc(OC)cc1;COc1ccc(cc1)C(O)=O;COc1ccc(cc1)C(=O)O","InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)","P-ANISIC ACID","2003-03-20","2024-09-27","4-methoxybenzoic acid",""],["SST","L-arabinitol","C5 H12 O5","OC(CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO;C(C(C(C(CO)O)O)O)O","InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1","(2S,4S)-pentane-1,2,3,4,5-pentol","2014-09-02","2020-06-17","L-arabinitol","2015-08-12"],["ANO","5-BETA-ANDROSTANE-3,17-DIONE","C19 H28 O2","O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C;C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O;CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C","InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1","","1999-07-08","2011-06-04","(5beta,8alpha)-androstane-3,17-dione",""],["SSU","URIDINE-5'-PHOSPHOROTHIOATE","C9 H13 N2 O8 P S","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=S)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)O)O)O","InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1","SP-SULFUR-SUBSTITUTED URIDINE","2003-04-09","2020-06-17","5'-O-thiophosphonouridine",""],["ANP","PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER","C10 H17 N6 O12 P3","O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N","InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine",""],["SSV","(3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one","C15 H18 O","O=C(C=CC=CC=CC=CC=CC=CC)C;CC=CC=CC=CC=CC=CC=CC(C)=O;CC=CC=CC=CC=CC=CC=CC(=O)C","InChI=1S/C15H18O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H,1-2H3/b4-3+,6-5+,8-7+,10-9+,12-11+,14-13+","","2010-05-17","2011-06-04","(3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one",""],["ANQ","ACENAPHTHENEQUINONE","C12 H6 O2","O=C3c2cccc1cccc(c12)C3=O;O=C1C(=O)c2cccc3cccc1c23;c1cc2cccc3c2c(c1)C(=O)C3=O","InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H","","2003-01-21","2011-06-04","acenaphthylene-1,2-dione",""],["SSW","6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one","C12 H7 F3 N4 O2 S","FC(F)(F)Oc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1;c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F","InChI=1S/C12H7F3N4O2S/c13-12(14,15)21-7-2-1-3-8(6-7)22-10-5-4-9-16-17-11(20)19(9)18-10/h1-6H,(H,17,20)","6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one; 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2020-11-30","2021-12-03","6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2021-12-08"],["ANR","ANHYDRORETINOL","C20 H28","C(=C1/C(=CCCC1(C)C)C)C=C(C=CC=C(C=C)C)C;CC(C=C)=CC=CC(C)=CC=C1C(=CCCC1(C)C)C;CC1=CCCC(C1=CC=C(C)C=CC=C(C)C=C)(C)C","InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-","(6E)-6-[(2E,4E,6E)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENYLIDENE]-1,5,5-TRIMETHYLCYCLOHEXENE","2004-08-31","2024-09-27","(6E)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ylidene]-1,5,5-trimethylcyclohexene",""],["SSX","4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide","C14 H19 N3 O S","COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N;CC(Cc1ccc(c2c1cc(s2)C(=N)N)OC)CN","InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m1/s1","","2022-12-19","2023-07-28","4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide","2023-08-02"],["ANS","5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)","C12 H13 N O3 S","O=S(=O)(O)c1cccc2c1cccc2N(C)C;CN(C)c1cccc2c1cccc2[S](O)(=O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)O","InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)","DANSYL ACID","1999-07-08","2024-09-27","5-(dimethylamino)naphthalene-1-sulfonic acid",""],["SSY","~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide","C10 H8 F3 N O2","CC(=O)c1cccc(NC(=O)C(F)(F)F)c1;CC(=O)c1cccc(c1)NC(=O)C(F)(F)F","InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)","","2020-03-11","2020-07-17","~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide","2020-07-22"],["ANT","ANTHRAMYCIN","C16 H17 N3 O4","O=C(N)C=CC3=CN2C(=O)c1c(c(O)c(cc1)C)NC(O)C2C3;Cc1ccc2C(=O)N3C=C(C[CH]3[CH](O)Nc2c1O)C=CC(N)=O;Cc1ccc2c(c1O)NC(C3CC(=CN3C2=O)C=CC(=O)N)O","InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15-/m0/s1","","1999-07-08","2011-06-04","(2E)-3-[(11S,11aS)-9,11-dihydroxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide",""],["ST0","N-cyclopentyloxane-4-sulfonamide","C10 H19 N O3 S","O=S(=O)(NC1CCCC1)C1CCOCC1;O=[S](=O)(NC1CCCC1)C2CCOCC2;C1CCC(C1)NS(=O)(=O)C2CCOCC2","InChI=1S/C10H19NO3S/c12-15(13,10-5-7-14-8-6-10)11-9-3-1-2-4-9/h9-11H,1-8H2","","2023-08-28","2023-11-24","N-cyclopentyloxane-4-sulfonamide","2023-11-29"],["ANU","2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil","C9 H10 N2 O5","OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O;C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O","InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1","Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE","2004-12-14","2020-06-17","(2~{R},4~{R},5~{R},6~{S})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one",""],["ST1","4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID","C9 H8 N2 O6","[O-][N+](=O)c1cc(cc(O)c1NC(=O)C)C(=O)O;CC(=O)Nc1c(O)cc(cc1[N+]([O-])=O)C(O)=O;CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-]","InChI=1S/C9H8N2O6/c1-4(12)10-8-6(11(16)17)2-5(9(14)15)3-7(8)13/h2-3,13H,1H3,(H,10,12)(H,14,15)","","1999-07-08","2011-06-04","4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid",""],["ANV","1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole","C15 H16 N4 O3 S","N[S](O)(O)c1ccc(cc1)n2cc(COc3ccccc3)nn2;c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O","InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10,20-21H,11,16H2","","2016-07-19","2017-06-16","1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole","2017-06-21"],["ST2","4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID","C9 H10 N2 O4","O=C(O)c1cc(O)c(NC(=O)C)c(c1)N;CC(=O)Nc1c(N)cc(cc1O)C(O)=O;CC(=O)Nc1c(cc(cc1O)C(=O)O)N","InChI=1S/C9H10N2O4/c1-4(12)11-8-6(10)2-5(9(14)15)3-7(8)13/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)","","1999-07-08","2011-06-04","4-(acetylamino)-3-amino-5-hydroxybenzoic acid",""],["ANW","2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid","C16 H14 N2 O4","O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C;CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O;CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O","InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)","","2009-10-09","2011-06-04","2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid",""],["ST3","4-(ACETYLAMINO)-3-AMINO BENZOIC ACID","C9 H10 N2 O3","O=C(O)c1cc(N)c(NC(=O)C)cc1;CC(=O)Nc1ccc(cc1N)C(O)=O;CC(=O)Nc1ccc(cc1N)C(=O)O","InChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14)","","1999-07-08","2011-06-04","4-(acetylamino)-3-aminobenzoic acid",""],["ANX","2,5-DINITROPHENOL","C6 H4 N2 O5","O=[N+]([O-])c1ccc(cc1O)[N+]([O-])=O;Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-]","InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H","","2006-10-19","2011-06-04","2,5-dinitrophenol",""],["ST4","4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID","C10 H14 N4 O3","O=C(O)c1cc(NC(N)N)c(cc1)NC(=O)C;CC(=O)Nc1ccc(cc1NC(N)N)C(O)=O;CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O","InChI=1S/C10H14N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4,10,14H,11-12H2,1H3,(H,13,15)(H,16,17)","","1999-07-08","2011-06-04","4-(acetylamino)-3-[(diaminomethyl)amino]benzoic acid",""],["ANY","2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER","C29 H42 N2 O9","O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)C(C)CC)C(C(=O)OC2C)CCCCCCC)C;CCCCCCC[CH]1[CH](OC(=O)[CH](C)CC)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O;CCCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)CC","InChI=1S/C29H42N2O9/c1-6-8-9-10-11-13-21-25(40-27(35)17(3)7-2)19(5)39-29(37)23(18(4)38-28(21)36)31-26(34)20-14-12-15-22(24(20)33)30-16-32/h12,14-19,21,23,25,33H,6-11,13H2,1-5H3,(H,30,32)(H,31,34)/t17-,18-,19+,21-,23+,25+/m1/s1","ANTIMYCIN","2004-06-14","2021-03-01","(2R,3S,6S,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-8-heptyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2R)-2-methylbutanoate (non-preferred name)",""],["ST5","4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID","C11 H12 N2 O5","O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)CO;CC(=O)Nc1ccc(cc1NC(=O)CO)C(O)=O;CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O","InChI=1S/C11H12N2O5/c1-6(15)12-8-3-2-7(11(17)18)4-9(8)13-10(16)5-14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)","","1999-07-08","2011-06-04","4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid",""],["ANZ","[(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE","C17 H17 B F N5 O8 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6cc(F)ccc56)O[CH]34;[B-]12(c3ccc(cc3CO1)F)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)(O)O","InChI=1S/C17H17BFN5O8P/c19-9-1-2-10-8(3-9)4-28-18(10)31-13-11(5-29-33(25,26)27)30-17(14(13)32-18)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17H,4-5H2,(H2,20,21,22)(H2,25,26,27)/q-1/t11-,13-,14-,17-,18+/m1/s1","","2007-05-14","2011-06-04","[(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate",""],["ST6","4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID","C11 H14 N3 O4","O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)C[NH3+];CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(O)=O;CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O","InChI=1S/C11H13N3O4/c1-6(15)13-8-3-2-7(11(17)18)4-9(8)14-10(16)5-12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/p+1","","1999-07-08","2011-06-04","2-{[2-(acetylamino)-5-carboxyphenyl]amino}-2-oxoethanaminium",""],["AO","ACRIDINE ORANGE","C17 H20 N3","CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C;CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C","InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3/p+1","","1999-07-08","2016-03-25","N,N,N',N'-tetramethylacridin-10-ium-3,6-diamine","2016-03-30"],["ST7","N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-N~2~-{[5-({[(E)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1H-1,2,3-triazol-1-yl]acetyl}-L-ornithinamide","C37 H41 N11 O4","O=C(NC(C(=O)N(Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])NC(=O)NC)Cn3nncc3CON=Cc4c5ccccc5ncc4;CNC(=O)NC(=N)NCCC[CH](NC(=O)Cn1nncc1CON=Cc2ccnc3ccccc23)C(=O)N(Cc4ccccc4)Cc5ccccc5;CNC(=O)NC(=N)NCCCC(C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CON=Cc4ccnc5c4cccc5","InChI=1S/C37H41N11O4/c1-39-37(51)45-36(38)41-19-10-17-33(35(50)47(23-27-11-4-2-5-12-27)24-28-13-6-3-7-14-28)44-34(49)25-48-30(22-42-46-48)26-52-43-21-29-18-20-40-32-16-9-8-15-31(29)32/h2-9,11-16,18,20-22,33H,10,17,19,23-26H2,1H3,(H,44,49)(H4,38,39,41,45,51)/b43-21+/t33-/m0/s1","","2013-06-25","2013-09-13","N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-N~2~-{[5-({[(E)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1H-1,2,3-triazol-1-yl]acetyl}-L-ornithinamide","2013-09-18"],["AO0","1-[3-(diphenoxyphosphorylamino)phenyl]ethanone","C20 H18 N O4 P","CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1;CC(=O)c1cccc(c1)NP(=O)(Oc2ccccc2)Oc3ccccc3","InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23)","","2023-05-16","2024-09-27","1-[3-(diphenoxyphosphorylamino)phenyl]ethanone","2024-05-15"],["ST8","4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE","C18 H22 N6 O3","O=C(N)c1ccc(cc1)Nc3nc(c(N=O)c(OCC2CCCCC2)n3)N;NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1;c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N","InChI=1S/C18H22N6O3/c19-15-14(24-26)17(27-10-11-4-2-1-3-5-11)23-18(22-15)21-13-8-6-12(7-9-13)16(20)25/h6-9,11H,1-5,10H2,(H2,20,25)(H3,19,21,22,23)","","2003-05-13","2011-06-04","4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide",""],["AO1","(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE","C19 H26 N2 O2 S","O=C(NC(c2cccc1ccccc12)C)C(O)C(N)CCSCC;CCSCC[CH](N)[CH](O)C(=O)N[CH](C)c1cccc2ccccc12;CCSCCC(C(C(=O)NC(C)c1cccc2c1cccc2)O)N","InChI=1S/C19H26N2O2S/c1-3-24-12-11-17(20)18(22)19(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17-18,22H,3,11-12,20H2,1-2H3,(H,21,23)/t13-,17-,18-/m0/s1","","2003-11-10","2011-06-04","(2S,3S)-3-amino-5-(ethylsulfanyl)-2-hydroxy-N-[(1S)-1-naphthalen-1-ylethyl]pentanamide (non-preferred name)",""],["ST9","STEAROYL-COENZYME A","C39 H70 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1","","2009-04-30","2014-09-05","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} octadecanethioate (non-preferred name)",""],["AO2","N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE","C17 H27 N3 O2","O=C(NNc1ccc(cc1)C)C(O)C(N)CC2CCCCC2;Cc1ccc(NNC(=O)[CH](O)[CH](N)CC2CCCCC2)cc1;Cc1ccc(cc1)NNC(=O)C(C(CC2CCCCC2)N)O","InChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)19-20-17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,19,21H,2-6,11,18H2,1H3,(H,20,22)/t15-,16+/m1/s1","","2003-11-10","2011-06-04","(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N'-(4-methylphenyl)butanehydrazide",""],["STA","STATINE","C8 H17 N O3","O=C(O)CC(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)CC(O)=O;CC(C)CC(C(CC(=O)O)O)N","InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1","","1999-07-08","2024-09-27","(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid",""],["AO3","ALLOSAMIDIN","C25 H42 N4 O14","O=C(NC4C(O)C(O)C(OC4OC3C(OC(OC1C(O)C2N=C(OC2C1CO)N(C)C)C(NC(=O)C)C3O)CO)CO)C;CN(C)C1=N[CH]2[CH](O)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4NC(C)=O)[CH](O)[CH]3NC(C)=O)[CH](CO)[CH]2O1;CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(C4C(C3O)N=C(O4)N(C)C)CO)CO)CO)O)O","InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1","(3AR,4R,5R,6S,6AS)-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-6-(HYDROXYMETHYL)-4H-CYCLOPENTOXAZOL-5-YL-2-(ACETYL\nAMINO)-4-O-[2-(ACETYLAMINO)-2-DEOXY-BETA-D-ALLOPYRANOSYL]-2-DEOXY-BETA-D-ALLOPYRANOSIDE","2004-08-18","2020-06-17","(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-allopyranosyl]-2-deoxy-beta-D-allopyranoside",""],["STB","4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE","C12 H19 N3 O3 S2","O=S(=O)(N)c1ccc(C(=O)NCCCCNCS)cc1;N[S](=O)(=O)c1ccc(cc1)C(=O)NCCCCNCS;c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N","InChI=1S/C12H19N3O3S2/c13-20(17,18)11-5-3-10(4-6-11)12(16)15-8-2-1-7-14-9-19/h3-6,14,19H,1-2,7-9H2,(H,15,16)(H2,13,17,18)","","1999-07-08","2011-06-04","4-sulfamoyl-N-{4-[(sulfanylmethyl)amino]butyl}benzamide",""],["AO4","2-chloropyridine-4-carboxylic acid","C6 H4 Cl N O2","C(c1ccnc(c1)Cl)(O)=O;OC(=O)c1ccnc(Cl)c1;c1cnc(cc1C(=O)O)Cl","InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)","","2017-07-20","2017-11-10","2-chloropyridine-4-carboxylic acid","2017-11-15"],["STC","3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID","C11 H8 Cl N O4 S2","O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2;OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(Cl)cc2;c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl","InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)","","2002-03-04","2011-06-04","3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid",""],["AO5","N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE","C15 H22 Cl N3 O3 S","O=C(c1cc(Cl)ccc1)NNC(=O)C(O)C(N)CCSC(C)C;CC(C)SCC[CH](N)[CH](O)C(=O)NNC(=O)c1cccc(Cl)c1;CC(C)SCCC(C(C(=O)NNC(=O)c1cccc(c1)Cl)O)N","InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1","","2003-11-10","2011-06-04","3-amino-1-{2-[(3-chlorophenyl)carbonyl]hydrazino}-3,4-dideoxy-5-S-(1-methylethyl)-5-thio-D-threo-pentose",""],["STD","STREPTOLYDIGIN","C32 H44 N2 O9","O=C(NC)C(C)C2C(=O)/C(C(=O)N2C1OC(C)C(O)CC1)=C(O)/C=C/C(=C/C(C5OC4(OC(C=CC34OC3)C5C)C)C)C;CNC(=O)[CH](C)[CH]1N([CH]2CC[CH](O)[CH](C)O2)C(=O)C(=C(O)C=CC(C)=C[CH](C)[CH]3O[C]4(C)O[CH](C=C[C]45CO5)[CH]3C)C1=O;CC1C2C=CC3(CO3)C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)C(N(C4=O)C5CCC(C(O5)C)O)C(C)C(=O)NC)O)C","InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1","2-PYRROLIDINEACETAMIDE; PORTAMYCIN","2005-08-01","2021-03-13","(2S)-2-{(2S,4E)-4-{(2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene}-1-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3,5-dioxopyrrolidin-2-yl}-N-methylpropanamide",""],["AO6","2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione","C16 H15 N O3","C[CH](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23;CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)CC(C)O","InChI=1S/C16H15NO3/c1-8(18)7-11-9(2)15(19)16(20)13-10-5-3-4-6-12(10)17-14(11)13/h3-6,8,17-18H,7H2,1-2H3/t8-/m1/s1","","2018-11-13","2019-10-11","2-methyl-1-[(2~{R})-2-oxidanylpropyl]-9~{H}-carbazole-3,4-dione","2019-10-16"],["STE","STEARIC ACID","C18 H36 O2","O=C(O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)","","1999-07-08","2024-09-27","octadecanoic acid",""],["AO7","4-oxo-4H-1-benzopyran-2-carboxylic acid","C10 H6 O4","C(=O)(O)C2=CC(c1ccccc1O2)=O;OC(=O)C1=CC(=O)c2ccccc2O1;c1ccc2c(c1)C(=O)C=C(O2)C(=O)O","InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)","9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E)","2017-07-20","2021-03-13","4-oxo-4H-1-benzopyran-2-carboxylic acid","2018-09-19"],["STF","(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,3-THIAZOL-4-ONE","C11 H8 F3 N O S2","O=C1N=C(S)SC1Cc2ccc(cc2)C(F)(F)F;FC(F)(F)c1ccc(C[CH]2SC(=NC2=O)S)cc1;c1cc(ccc1CC2C(=O)N=C(S2)S)C(F)(F)F","InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1","","2006-01-11","2011-06-04","(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one",""],["AO8","[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid","C18 H20 B N3 O4 S","OB(O)c1ccccc1CNCCN[S](=O)(=O)c2cccc3cnccc23;B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O","InChI=1S/C18H20BN3O4S/c23-19(24)17-6-2-1-4-15(17)13-21-10-11-22-27(25,26)18-7-3-5-14-12-20-9-8-16(14)18/h1-9,12,21-24H,10-11,13H2","","2017-08-22","2018-08-31","[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid","2018-09-05"],["STG","ESTRIOL 3-(B-D-GLUCURONIDE)","C24 H32 O9","O=C(O)C5OC(Oc1ccc2c(c1)CCC3C4CC(O)C(O)C4(C)CCC23)C(O)C(O)C5O;C[C]12CC[CH]3[CH](CCc4cc(O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O)ccc34)[CH]1C[CH](O)[CH]2O;CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O","InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1","","1999-07-08","2011-06-04","(14beta,16alpha,17alpha)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid",""],["AO9","5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine","C15 H16 N6 O5 S","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3cnc4sccn34;NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)c3cnc4sccn34)[CH](O)[CH]2O;c1csc2n1c(cn2)C(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)6-17-12(24)7-5-18-15-20(7)3-4-27-15/h1-5,8,10-11,13,22-23H,6H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1","","2011-01-07","2011-06-04","5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine",""],["STH","2-AMINO-4H-1,3-BENZOXATHIIN-4-OL","C8 H9 N O2 S","O2c1ccccc1C(O)SC2N;N[CH]1Oc2ccccc2[CH](O)S1;c1ccc2c(c1)C(SC(O2)N)O","InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1","","2004-11-03","2024-09-27","(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol",""],["AOA","(AMINOOXY)ACETIC ACID","C2 H5 N O3","O=C(O)CON;NOCC(O)=O;C(C(=O)O)ON","InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)","","2002-06-17","2011-06-04","(aminooxy)acetic acid",""],["STI","4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE","C29 H31 N7 O","O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C;CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3;Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)","STI-571; IMATINIB","2001-04-11","2020-06-17","4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide",""],["AOB","(E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C15 H11 N5 O","N#Cc1c(nc2N=C(N)NC(=O)c12)C=Cc3ccccc3;NC1=Nc2[nH]c(C=Cc3ccccc3)c(C#N)c2C(=O)N1;c1ccc(cc1)C=Cc2c(c3c([nH]2)N=C(NC3=O)N)C#N","InChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+","","2014-01-15","2015-01-16","2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2015-01-21"],["STJ","3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide","C18 H13 F3 N4 O2","FC(F)(F)Oc1ccc(cc1)Nc3ncnc(c2cc(C(=O)N)ccc2)c3;NC(=O)c1cccc(c1)c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2;c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F","InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)","","2009-10-09","2011-06-04","3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide",""],["AOC","5'-O-prop-2-yn-1-yladenosine","C13 H15 N5 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)COCC#C)N;Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#C)[CH](O)[CH]3O;C#CCOCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H15N5O4/c1-2-3-21-4-7-9(19)10(20)13(22-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2012-01-05","2012-03-09","5'-O-prop-2-yn-1-yladenosine",""],["STK","3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one","C11 H7 Cl N4 O S","Clc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1;c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2","InChI=1S/C11H7ClN4OS/c12-7-2-1-3-8(6-7)18-10-5-4-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17)","","2020-12-01","2021-12-03","6-(3-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2021-12-08"],["AOD","5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid","C14 H16 Br N O4","O=C(O)c2c(NC1CC(C(=O)O)CCC1)ccc(Br)c2;OC(=O)[CH]1CCC[CH](C1)Nc2ccc(Br)cc2C(O)=O;c1cc(c(cc1Br)C(=O)O)NC2CCCC(C2)C(=O)O","InChI=1S/C14H16BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-10-3-1-2-8(6-10)13(17)18/h4-5,7-8,10,16H,1-3,6H2,(H,17,18)(H,19,20)/t8-,10+/m1/s1","","2009-09-16","2011-06-04","5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid",""],["STL","RESVERATROL","C14 H12 O3","Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2;Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2;c1cc(ccc1C=Cc2cc(cc(c2)O)O)O","InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+","","1999-07-08","2011-06-04","5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",""],["AOE","N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE","C34 H55 N O3","O=C(N(CCCC)C)CCCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4;CCCCN(C)C(=O)CCCCCCCCCC[CH]1Cc2cc(O)ccc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]13;CCCCN(C)C(=O)CCCCCCCCCCC1Cc2cc(ccc2C3C1C4CCC(C4(CC3)C)O)O","InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1","","2001-01-08","2011-06-04","N-butyl-11-[(7alpha,9beta,13alpha,14beta,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide",""],["STM","methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate","C25 H22 N4 O7","O=C(c1nc(c(c(c1C)c2cccc(OC)c2O)N)c3nc4C(=O)C(N)=C(C(c4cc3)=O)OC)OC;COC(=O)c1nc(c(N)c(c1C)c2cccc(OC)c2O)c3ccc4C(=O)C(=C(N)C(=O)c4n3)OC;Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC","InChI=1S/C25H22N4O7/c1-10-15(11-6-5-7-14(34-2)21(11)30)16(26)20(29-18(10)25(33)36-4)13-9-8-12-19(28-13)23(32)17(27)24(35-3)22(12)31/h5-9,30H,26-27H2,1-4H3","","2016-01-14","2017-01-06","methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate","2017-01-11"],["AOF","N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine","C9 H15 N4 O9 P","O=P(O)(O)OCC2OC(NC=1NC(=O)NC(=O)C=1N)C(O)C2O;NC1=C(N[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)NC(=O)NC1=O;C(C1C(C(C(O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O","InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1","","2012-08-09","2013-02-15","N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine","2013-02-15"],["STN","2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID","C8 H15 N O4","O=C(O)C(CC(C)C)CN(O)C=O;CC(C)C[CH](CN(O)C=O)C(O)=O;CC(C)CC(CN(C=O)O)C(=O)O","InChI=1S/C8H15NO4/c1-6(2)3-7(8(11)12)4-9(13)5-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t7-/m1/s1","","2001-08-10","2011-06-04","(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid",""],["AOG","octyl 3-amino-3-deoxy-beta-D-galactopyranoside","C14 H29 N O5","O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O;CCCCCCCCOC1C(C(C(C(O1)CO)O)N)O","InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1","4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL; octyl 3-amino-3-deoxy-beta-D-galactoside; octyl\n3-amino-3-deoxy-D-galactoside; octyl 3-amino-3-deoxy-galactoside","2003-10-28","2020-07-17","octyl 3-amino-3-deoxy-beta-D-galactopyranoside",""],["STO","STAUROSPORINE","C28 H26 N4 O3","O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35;CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC","InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1/f/h30H","","1999-07-08","2008-10-14","(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one",""],["AOH","8(1)-OH-Chlorophyll aF","C50 H60 Mg N4 O6","CCC1=C(C)C2=[N-]3C1=Cc4n5c(C=C6C(=C7C(=O)[CH](C(=O)OC)C8=C9[CH](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[CH](C)C(=C2)[N]9[Mg]35[N-]6=C78)C)c([CH](C)O)c4C;CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)C(C9CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C)C(C(=O)C8=C(C7=C5)C)C(=O)OC)C(C)O)C)C","InChI=1S/C50H61N4O6.Mg/c1-12-34-29(6)36-23-37-30(7)35(19-20-42(56)60-22-21-28(5)18-14-17-27(4)16-13-15-26(2)3)47(53-37)45-46(50(58)59-11)49(57)44-32(9)39(54-48(44)45)25-41-43(33(10)55)31(8)38(52-41)24-40(34)51-36;/h15,17,21,23-25,30,33,35,46,55H,12-14,16,18-20,22H2,1-11H3,(H-,51,52,53,54,57);/q-1;/p-1/b27-17+,28-21+;/t30-,33-,35-,46+;/m0./s1","","2017-08-11","2017-09-01","","2017-09-06"],["STP","2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE)","C10 H16 N5 O11 P3 S","O=P(O)(O)OP(=O)(O)OP(=S)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)C3CC(O)C(CO[P](O)(=S)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5?,6?,7?,29-/m1/s1","","1999-07-08","2011-06-04","9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]pentofuranosyl}-9H-purin-6-amine",""],["AOI","Androsterone","C19 H30 O2","O=C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O;CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O","InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1","(3alpha,5beta,8alpha,10alpha,13alpha,14beta)-3-hydroxyandrostan-17-one","2013-06-25","2021-03-13","(3alpha,5beta,8alpha,10alpha,13alpha,14beta)-3-hydroxyandrostan-17-one","2013-07-03"],["STQ","(1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine","C10 H13 N","N[CH]1CCCc2ccccc12;c1ccc2c(c1)CCCC2N","InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1","","2020-09-01","2021-08-27","(1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine","2021-09-01"],["AOJ","(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione","C12 H9 F N2 O2","N1C(=O)CC(C1=O)c3cnc2c3cc(cc2)F;Fc1ccc2[nH]cc([CH]3CC(=O)NC3=O)c2c1;c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O","InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1","","2017-07-20","2017-12-22","(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione","2017-12-27"],["STR","PROGESTERONE","C21 H30 O2","O=C4C=C2C(C1CCC3(C(C(=O)C)CCC3C1CC2)C)(C)CC4;CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1","","1999-07-08","2011-06-04","(14beta,17alpha)-pregn-4-ene-3,20-dione",""],["AOK","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine","C25 H26 Cl N3","CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(C)cc4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C","InChI=1S/C25H26ClN3/c1-3-19-6-4-5-7-20(19)21-10-9-18(15-22(21)26)16-27-13-12-25-28-23-11-8-17(2)14-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)","","2017-08-22","2018-02-23","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine","2018-02-28"],["STS","2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM","C15 H16 N3 S","SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3;SC[CH](Cc1ccccc1)c2[nH]c3cc[nH+]cc3n2;c1ccc(cc1)CC(CS)c2[nH]c3cc[nH+]cc3n2","InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1","","2005-01-12","2011-06-04","2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium",""],["AOL","(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-1,2,3,4-TETROL","C5 H11 N O4","OC1C(N)C(O)C(O)C1O;N[CH]1[CH](O)[CH](O)[CH](O)[CH]1O;C1(C(C(C(C1O)O)O)O)N","InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-","","2006-01-24","2011-06-04","(1R,2R,3S,4S,5r)-5-aminocyclopentane-1,2,3,4-tetrol",""],["STT","2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid","C27 H20 F N3 O5 S3","O[S](=O)(=O)CCN1C(=S)SC(=Cc2cn(nc2c3ccc(Oc4ccccc4F)cc3)c5ccccc5)C1=O;c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)C=C5C(=O)N(C(=S)S5)CCS(=O)(=O)O","InChI=1S/C27H20FN3O5S3/c28-22-8-4-5-9-23(22)36-21-12-10-18(11-13-21)25-19(17-31(29-25)20-6-2-1-3-7-20)16-24-26(32)30(27(37)38-24)14-15-39(33,34)35/h1-13,16-17H,14-15H2,(H,33,34,35)/b24-16+","","2008-11-17","2020-02-13","2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid",""],["AOM","5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL","C19 H32 O2","OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4;C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O","InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1","","2002-04-24","2011-06-04","(3alpha,5beta,8alpha,17beta)-androstane-3,17-diol",""],["STU","STAUROSPORINE","C28 H26 N4 O3","O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35;CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC","InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1","","1999-07-08","2026-04-09","(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one",""],["AON","5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL","C19 H32 O2","OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4;C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O","InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1","","2002-04-24","2011-06-04","(3beta,5beta,17beta)-androstane-3,17-diol",""],["STV","~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide","C10 H13 N O4 S","CC[S](=O)(=O)NCc1ccc2OCOc2c1;CCS(=O)(=O)NCc1ccc2c(c1)OCO2","InChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3","","2020-03-11","2020-07-17","~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide","2020-07-22"],["AOO","N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine","C9 H17 N5 O","O(c1nc(nc(n1)NC(C)C)NCC)C;CCNc1nc(NC(C)C)nc(OC)n1;CCNc1nc(nc(n1)OC)NC(C)C","InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)","Atraton","2010-03-05","2021-03-01","N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine",""],["STW","Stachyose","C24 H42 O21","OC[CH]1O[CH](OC[CH]2O[CH](OC[CH]3O[CH](O[C]4(CO)O[CH](CO)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O","InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16+,17-,18+,19-,20-,21+,22+,23-,24+/m1/s1","","2017-10-12","2020-07-17","(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(2~{S},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","2018-04-11"],["AOP","PENTYLOXYAMINO-ACETALDEHYDE","C7 H15 N O2","O=CCNOCCCCC;CCCCCONCC=O;CCCCCONCC=O","InChI=1S/C7H15NO2/c1-2-3-4-7-10-8-5-6-9/h6,8H,2-5,7H2,1H3","","1999-07-08","2024-09-27","[(pentyloxy)amino]acetaldehyde",""],["STX","1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE","C9 H15 N3 O2","O=C(c1nnc(o1)C(C)(C)C)CNC;CNCC(=O)c1oc(nn1)C(C)(C)C;CC(C)(C)c1nnc(o1)C(=O)CNC","InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3","2-SARCOSINYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE","2005-04-25","2020-06-17","1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone",""],["AOQ","2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione","C22 H19 Cl O3","Clc1ccc(cc1)C4CCC(C=3C(=O)c2ccccc2C(=O)C=3O)CC4;OC1=C([CH]2CC[CH](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O;c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl","InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-","Atovaquone","2014-06-03","2021-03-01","2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione","2014-06-11"],["STY","TYROSINE-O-SULPHONIC ACID","C9 H11 N O6 S","O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)N)O;N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O","InChI=1/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1/f/h11,13H","","1999-07-08","2009-01-07","O-sulfo-L-tyrosine",""],["AOR","N~2~-ACETYL-L-ORNITHINE","C7 H14 N2 O3","O=C(NC(C(=O)O)CCCN)C;CC(=O)N[CH](CCCN)C(O)=O;CC(=O)NC(CCCN)C(=O)O","InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1","","2005-06-08","2011-06-04","N~2~-acetyl-L-ornithine",""],["STZ","Streptozotocin","C8 H15 N3 O7","O=NN(C(=O)NC1C(O)C(O)C(OC1O)CO)C;CN(N=O)C(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O","InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1","2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose","2008-12-02","2020-07-17","2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose",""],["AOS","D-ALLOSE","C6 H12 O6","O=CC(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C(C=O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1","","2006-08-25","2020-06-24","D-allose",""],["SU0","2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide","C18 H16 N2 O6 S","O=S(=O)(N)c1ccc(cc1)NC(=O)CC=2c3c(OC(=O)C=2)cc(OC)cc3;COc1ccc2C(=CC(=O)Oc2c1)CC(=O)Nc3ccc(cc3)[S](N)(=O)=O;COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)","","2010-04-21","2011-06-04","2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide",""],["AOT","2-oxidanylidene-2-phenylazanyl-ethanoic acid","C8 H7 N O3","OC(=O)C(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)C(=O)O","InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)","","2017-02-02","2017-03-31","2-oxidanylidene-2-phenylazanyl-ethanoic acid","2017-04-05"],["SU1","3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE","C17 H16 N2 O3","O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C;Cc1c[nH]c(C=C2C(=O)Nc3ccccc23)c1CCC(O)=O;Cc1c[nH]c(c1CCC(=O)O)C=C2c3ccccc3NC2=O","InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-","SU5402","1999-07-08","2021-03-01","3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid",""],["AOU","(2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid","C25 H20 Cl2 N2 O4","c4cc(c(c3noc(c3C(c1cn(c2c1cccc2[C@H]=CC(O)=O)C)=O)C(C)C)c(c4)Cl)Cl;CC(C)c1onc(c2c(Cl)cccc2Cl)c1C(=O)c3cn(C)c4c(cccc34)C=CC(O)=O;CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4C=CC(=O)O)C","InChI=1S/C25H20Cl2N2O4/c1-13(2)25-21(22(28-33-25)20-17(26)8-5-9-18(20)27)24(32)16-12-29(3)23-14(10-11-19(30)31)6-4-7-15(16)23/h4-13H,1-3H3,(H,30,31)/b11-10+","","2018-11-13","2019-10-25","(2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid","2019-10-30"],["SU2","3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE","C20 H21 N3 O2","O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4;O=CN1CCN(CC1)c2ccc(C[CH]3C(=O)Nc4ccccc34)cc2;c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O","InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25)","SU4984","1999-07-08","2020-06-17","4-(4-{[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde",""],["AOV","ADP ORTHOVANADATE","C10 H17 N5 O14 P2 V","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)(O)O)O)O)N","InChI=1S/C10H15N5O10P2.3H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);3*1H2;;/q;;;;;+4/p-4/t4-,6-,7-,10-;;;;;/m1...../s1","","2011-03-17","2012-04-20","[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trihydroxy-oxo-vanadium",""],["SU3","(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide","C38 H55 N5 O9 S","O=S(=O)(NC(=O)C5(NC(=O)C2N3C(=O)C(NC(=O)OCC(C)(C)CCCCc1cccc4c1CN(C(=O)OC(C2)C3)C4)C(C)(C)C)CC5CC)C6CC6;CC[CH]1C[C]1(NC(=O)[CH]2C[CH]3C[N]2C(=O)[CH](NC(=O)OCC(C)(C)CCCCc4cccc5C[N](Cc45)C(=O)O3)C(C)(C)C)C(=O)N[S](=O)(=O)C6CC6;CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C","InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1","vaniprevir; MK-7009","2011-08-04","2020-05-27","(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide","2012-08-31"],["AOW","N-{[(1M)-2-chloro-2'-ethyl[1,1'-biphenyl]-4-yl]methyl}-2-(7-nitro-1H-1,3-benzimidazol-2-yl)ethan-1-amine","C24 H23 Cl N4 O2","CCc1ccccc1c1ccc(cc1Cl)CNCCc1nc2cccc(c2[NH]1)[N+]([O-])=O;CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+]([O-])=O)n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)[O-]","InChI=1S/C24H23ClN4O2/c1-2-17-6-3-4-7-18(17)19-11-10-16(14-20(19)25)15-26-13-12-23-27-21-8-5-9-22(29(30)31)24(21)28-23/h3-11,14,26H,2,12-13,15H2,1H3,(H,27,28)","","2017-08-22","2026-04-04","N-{[(1M)-2-chloro-2'-ethyl[1,1'-biphenyl]-4-yl]methyl}-2-(7-nitro-1H-1,3-benzimidazol-2-yl)ethan-1-amine","2018-02-28"],["SU4","N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide","C18 H21 N O4 S","O=S(=O)(N(CC(O)(c1ccccc1)C)C2CC2)c3ccc(O)cc3;C[C](O)(CN(C1CC1)[S](=O)(=O)c2ccc(O)cc2)c3ccccc3;CC(CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O","InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1","HYDROXYBENZENESULFONAMIDE","2011-06-06","2020-06-17","N-cyclopropyl-4-hydroxy-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide",""],["AOX","(3Beta,5alpha)-3-Hydroxyandrostan-17-one","C19 H30 O2","O=C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O;CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O","InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1","Epiandrosterone","2011-12-18","2021-03-01","(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",""],["SU5","1~{H}-indol-2-yl(pyridin-3-yl)methanone","C14 H10 N2 O","O=C(c1[nH]c2ccccc2c1)c3cccnc3;c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3","InChI=1S/C14H10N2O/c17-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)16-13/h1-9,16H","","2020-12-01","2021-02-26","1~{H}-indol-2-yl(pyridin-3-yl)methanone","2021-03-03"],["AOY","(3E)-3-[(phenylamino)methylidene]oxan-2-one","C12 H13 N O2","N(c1ccccc1)/C=C2CCCOC2=O;O=C1OCCCC1=CNc2ccccc2;c1ccc(cc1)NC=C2CCCOC2=O","InChI=1S/C12H13NO2/c14-12-10(5-4-8-15-12)9-13-11-6-2-1-3-7-11/h1-3,6-7,9,13H,4-5,8H2/b10-9+","","2017-07-20","2018-01-05","(3E)-3-[(phenylamino)methylidene]oxan-2-one","2018-01-10"],["SU6","3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid","C18 H18 N2 O3","O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C;Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1CCC(O)=O;Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O","InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-","SU6668","2013-04-02","2020-06-17","3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid","2013-06-19"],["AOZ","Histopine","C9 H13 N3 O4","C[CH](N[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O;CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O","InChI=1S/C9H13N3O4/c1-5(8(13)14)12-7(9(15)16)2-6-3-10-4-11-6/h3-5,7,12H,2H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m1/s1","","2017-08-22","2017-12-15","3-(1~{H}-imidazol-4-yl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid","2017-12-20"],["SU7","3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile","C15 H18 N2 O","O=C(CC#N)N1CCC(CC1)Cc2ccccc2;c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N","InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2","","2020-03-11","2020-07-17","3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile","2020-07-22"],["AP","N-1-AMINOPYRENE","C16 H11 N","c4cc2ccc1ccc(N)c3c1c2c(cc3)c4;Nc1ccc2ccc3cccc4ccc1c2c34;c1cc2ccc3ccc(c4c3c2c(c1)cc4)N","InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2","","1999-07-08","2011-06-04","pyren-1-amine",""],["SU8","(2R)-2-butylbutanedioic acid","C8 H14 O4","O=C(O)C(CC(=O)O)CCCC;CCCC[CH](CC(O)=O)C(O)=O;CCCCC(CC(=O)O)C(=O)O","InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1","(2R)-2-butylsuccinic acid","2014-07-25","2024-09-27","(2R)-2-butylbutanedioic acid","2014-08-20"],["AP0","ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED","C22 H30 N6 O14 P2","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=C(CC=C3)C(C)=O)C(O)C2O)C(O)C1O;CC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;CC(=O)C1=CN(C=CC1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C22H30N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1","","2005-08-09","2023-09-13","[(2R,3S,4R,5R)-5-(3-acetylpyridin-1(4H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["SU9","(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE","C13 H11 N3 O2","O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2;COc1ccc2NC(=O)C(=Cc3[nH]cnc3)c2c1;COc1ccc2c(c1)C(=Cc3cnc[nH]3)C(=O)N2","InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-","SU9516","2003-05-27","2021-03-01","(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one",""],["AP1","{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID","C38 H47 N O11","O=C(N3C(C(=O)OC(c1cccc(OCC(=O)O)c1)CCc2ccc(OC)c(OC)c2)CCCC3)C(c4cc(OC)c(OC)c(OC)c4)CC;CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccc(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4cc(OC)c(OC)c(OC)c4;CCC(c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O","InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1","","1999-07-08","2011-06-04","(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid",""],["SUA","(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER","C13 H14 N2 O3 S3","O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2;N[S](=O)(=O)c1ccc(NC(=S)OCCc2cscc2)cc1;c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N","InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)","Carbonic Anhydrase II inhibitor 16923","2002-06-06","2021-03-01","O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate",""],["AP2","PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER","C11 H17 N5 O9 P2","O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N","InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]adenosine",""],["SUB","3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER","C23 H28 N2 O5 S2","O=S(=O)(N2C(C(=O)NC(C(=O)OCC)Cc1ccccc1)CSCC2)c3ccc(cc3)C;CCOC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CSCCN2[S](=O)(=O)c3ccc(C)cc3;CCOC(=O)C(Cc1ccccc1)NC(=O)C2CSCCN2S(=O)(=O)c3ccc(cc3)C","InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1","(3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-PHENYLALANINE ETHYL ESTER","2001-10-18","2021-03-13","ethyl N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-phenylalaninate",""],["AP3","2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","C11 H19 N O5 S","O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C;CC(C)(O)[CH]([CH]1N[CH](C(O)=O)C(C)(C)S1)C(O)=O;CC1(C(NC(S1)C(C(=O)O)C(C)(C)O)C(=O)O)C","InChI=1S/C11H19NO5S/c1-10(2,17)5(8(13)14)7-12-6(9(15)16)11(3,4)18-7/h5-7,12,17H,1-4H3,(H,13,14)(H,15,16)/t5-,6+,7-/m1/s1","","1999-07-08","2024-09-27","(2R,4S)-2-[(1S)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["SUC","SUCROSE","C12 H22 O11","O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO;OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1","","1999-07-08","2020-07-17","beta-D-fructofuranosyl alpha-D-glucopyranoside",""],["AP4","7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE","C8 H9 N5 O3","O=C1C3=C(N=C(N)N1)NCC2N3C(=O)OC2;NC1=NC2=C(N3[CH](CN2)COC3=O)C(=O)N1;C1C2COC(=O)N2C3=C(N1)N=C(NC3=O)N","InChI=1S/C8H9N5O3/c9-7-11-5-4(6(14)12-7)13-3(1-10-5)2-16-8(13)15/h3H,1-2H2,(H4,9,10,11,12,14)/t3-/m1/s1","5,6-CYCLIC-TETRAHYDROPTERIDINE","1999-12-16","2021-03-13","(6aR)-3-amino-5,6,6a,7-tetrahydro[1,3]oxazolo[3,4-f]pteridine-1,9(2H)-dione",""],["SUD","4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE","C14 H26 N3 O17 P3","O=P(O)(O)OC(C)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;C[C](CO)(O[P](O)(O)=O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O","InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1","","2004-07-28","2011-06-04","5'-O-[(R)-{[(S)-{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine",""],["AP5","BIS(ADENOSINE)-5'-PENTAPHOSPHATE","C20 H29 N10 O22 P5","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N","InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","1999-07-08","2011-06-04","[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",""],["AP6","2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE","C12 H14 N6","n3c(nc2c(NC(c1ccccc1)CN2)c3N)N;Nc1nc(N)c2N[CH](CNc2n1)c3ccccc3;c1ccc(cc1)C2CNc3c(c(nc(n3)N)N)N2","InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1","","1999-12-16","2011-06-04","(6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine",""],["SUE","(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di\noxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec\nino[11,12-b]quinoxaline-8-carboxamide","C38 H50 N6 O9 S","O=S(=O)(NC(=O)C6(NC(=O)C1N2C(=O)C(NC(=O)OC5C(CCCCCc3nc4c(nc3OC(C1)C2)cc(OC)cc4)C5)C(C)(C)C)CC6/C=C)C7CC7;COc1ccc2nc3CCCCC[CH]4C[CH]4OC(=O)N[CH](C(=O)[N]5C[CH](C[CH]5C(=O)N[C]6(C[CH]6C=C)C(=O)N[S](=O)(=O)C7CC7)Oc3nc2c1)C(C)(C)C;CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCCC7CC7OC(=O)N1","InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1","Grazoprevir, MK-5172","2011-08-04","2020-06-17","(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide","2012-09-14"],["SUF","[2-(DIMETHYL-LAMBDA~4~-SULFANYL)-1-HYDROXYETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","C4 H14 O7 P2 S","O=P(O)(O)C(O)(P(=O)(O)O)CS(C)C;C[SH](C)CC(O)([P](O)(O)=O)[P](O)(O)=O;CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C4H14O7P2S/c1-14(2)3-4(5,12(6,7)8)13(9,10)11/h5,14H,3H2,1-2H3,(H2,6,7,8)(H2,9,10,11)","","2007-01-12","2011-06-04","[2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)",""],["AP7","N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE","C10 H15 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c(N)[nH+]cnc12)C(O)C3O;Nc1[nH+]cnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1","","2004-08-10","2011-06-04","5'-adenylic acid",""],["SUG","N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE","C10 H18 N4 O5","O=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O;NC(=N)NCCC[CH](NC(=O)CCC(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N","InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1","N~2~-SUCCINYLARGININE","2005-02-04","2020-06-17","N~2~-(3-carboxypropanoyl)-L-arginine",""],["AP8","(8R,9R,10R,11R,14S,18S,20S,24S)-24-{(1R,2S,3R,6R,7R,8R,9S,10E)-8-(ACETYLOXY)-6-[(N,N-DIMETHYLALANYL)OXY]-11-[FORMYL(MET\nHYL)AMINO]-2-HYDROXY-1,3,7,9-TETRAMETHYLUNDEC-10-ENYL}-10-HYDROXY-14,20-DIMETHOXY-9,11,15,18-TETRAMETHYL-2-OXOOXACYCLOTE\nTRACOSA-3,5,15,21-TETRAEN-8-YL N,N,O-TRIMETHYLSERINATE","C59 H101 N3 O14","O=CN(C=CC(C)C(OC(=O)C)C(C)C(OC(=O)C(N(C)C)C)CCC(C)C(O)C(C)C1OC(=O)C=CC=CCC(OC(=O)C(N(C)C)COC)C(C)C(O)C(C)CCC(OC)C(=CCC(CC(OC)C=CC1)C)C)C;COC[CH](N(C)C)C(=O)O[CH]1CC=CC=CC(=O)O[CH](CC=C[CH](C[CH](C)CC=C(C)[CH](CC[CH](C)[CH](O)[CH]1C)OC)OC)[CH](C)[CH](O)[CH](C)CC[CH](OC(=O)[CH](C)N(C)C)[CH](C)[CH](OC(C)=O)[CH](C)C=CN(C)C=O;CC1CCC(C(=CCC(CC(C=CCC(OC(=O)C=CC=CCC(C(C1O)C)OC(=O)C(COC)N(C)C)C(C)C(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(C)N(C)C)O)OC)C)C)OC","InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3/b20-19+,23-22+,26-21+,34-33+,39-28+/t38-,40-,41+,42-,43-,44-,45+,46+,48+,49+,50+,51+,52-,53-,55+,56-,57-/m1/s1","APLYRONINE A","2004-12-17","2020-06-17","(3E,5E,8R,9S,10R,11R,14S,15E,18R,20R,21E,24S)-24-{(1S,2S,3S,6R,7S,8R,9R,10E)-8-(acetyloxy)-6-[(N,N-dimethyl-L-alanyl)oxy]-11-[formyl(methyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-en-1-yl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclotetracosa-3,5,15,21-tetraen-8-yl N,N,O-trimethyl-L-serinate",""],["SUH","(2S)-2-methylbutanedioic acid","C5 H8 O4","O=C(O)CC(C(=O)O)C;C[CH](CC(O)=O)C(O)=O;CC(CC(=O)O)C(=O)O","InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1","","2014-07-28","2024-09-27","(2S)-2-methylbutanedioic acid","2014-08-20"],["AP9","(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL","C19 H26 Cl N7 O","Clc1cc(N)cc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO;CC(C)[CH](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c3ncn(C(C)C)c3n1;CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N","InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m1/s1","AMINOPURVALANOL","2005-12-19","2020-06-17","(2S)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol",""],["SUI","(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID","C6 H8 N2 O4","O=C1N(C(=O)CC1N)CC(=O)O;N[CH]1CC(=O)N(CC(O)=O)C1=O;C1C(C(=O)N(C1=O)CC(=O)O)N","InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1","","2001-08-20","2024-09-27","[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid",""],["APA","(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid","C10 H12 N2 O3","O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N;NC(=N)c1ccc(C[CH](O)C(O)=O)cc1;c1cc(ccc1CC(C(=O)O)O)C(=N)N","InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1","","1999-07-08","2024-09-27","(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid",""],["SUJ","(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID","C9 H16 N2 O5","O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C;C[CH](O)[CH](N1[CH](O)CC[CH](N)C1=O)C(O)=O;CC(C(C(=O)O)N1C(CCC(C1=O)N)O)O","InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1","","2003-07-31","2024-09-27","(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid",""],["APB","M-AMINOPHENYLBORONIC ACID","C6 H8 B N O2","OB(O)c1cccc(N)c1;Nc1cccc(c1)B(O)O;B(c1cccc(c1)N)(O)O","InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2","","1999-07-08","2024-09-27","(3-aminophenyl)boronic acid",""],["SUL","SULFATE ANION","O4 S","[O-]S([O-])(=O)=O;[O-][S]([O-])(=O)=O;[O-]S(=O)(=O)[O-]","InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2/fO4S/q-2","","1999-07-08","2008-10-14","sulfate",""],["APC","DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER","C11 H18 N5 O12 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1","ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE","1999-07-08","2021-03-13","5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine",""],["SUN","O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE","C7 H17 N2 O5 P","O=P(OCC)(OCC(N)C(=O)O)N(C)C;CCO[P](=O)(OC[CH](N)C(O)=O)N(C)C;CCOP(=O)(N(C)C)OCC(C(=O)O)N","InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1","TABUN CONJUGATED SERINE","2007-01-25","2024-09-27","O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine",""],["APD","3-METHYLPHENYLALANINE","C10 H13 N O2","O=C(O)C(N)Cc1cccc(c1)C;Cc1cccc(C[CH](N)C(O)=O)c1;Cc1cccc(c1)CC(C(=O)O)N","InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1","","2001-09-28","2024-09-27","3-methyl-L-phenylalanine",""],["SUO","N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE","C9 H16 N2 O5","O=C(NC(C(=O)O)CCCN)CCC(=O)O;NCCC[CH](NC(=O)CCC(O)=O)C(O)=O;C(CC(C(=O)O)NC(=O)CCC(=O)O)CN","InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1","N~2~-SUCCINYLORNITHINE","2005-02-04","2020-06-17","N~2~-(3-carboxypropanoyl)-L-ornithine",""],["APE","(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID","C9 H12 N2 O2","O=C(O)NC(N)Cc1ccccc1;N[CH](Cc1ccccc1)NC(O)=O;c1ccc(cc1)CC(N)NC(=O)O","InChI=1S/C9H12N2O2/c10-8(11-9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m1/s1","","1999-07-08","2011-06-04","[(1R)-1-amino-2-phenylethyl]carbamic acid",""],["SUP","SUCROSE-6-PHOSHPATE","C12 H23 O14 P","O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO;OC[CH]1O[CH](O[C]2(CO)O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)COP(=O)(O)O)O)O)CO)O)O)O)O","InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1","","2004-08-12","2020-07-17","6-O-phosphono-beta-D-fructofuranosyl alpha-D-glucopyranoside",""],["APF","1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)","C12 H12 F3 N O2","FC(F)(F)C(=O)C(NC(=O)C)Cc1ccccc1;CC(=O)N[CH](Cc1ccccc1)C(=O)C(F)(F)F;CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F","InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1","","1999-07-08","2024-09-27","N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]acetamide",""],["SUQ","6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one","C11 H7 Cl N4 O S","Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1;c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl","InChI=1S/C11H7ClN4OS/c12-7-1-3-8(4-2-7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17)","6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2020-12-01","2021-12-03","6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2021-12-08"],["APG","ATROLACTIC ACID (2-PHENYL-LACTIC ACID)","C9 H10 O3","O=C(O)C(O)(c1ccccc1)C;C[C](O)(C(O)=O)c1ccccc1;CC(c1ccccc1)(C(=O)O)O","InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-hydroxy-2-phenylpropanoic acid",""],["SUR","1-(BETA-D-RIBOFURANOSYL)-2-THIO-URACIL-5'-PHOSPHATE","C9 H13 N2 O8 P S","O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=S;C1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1","","2000-11-21","2011-06-04","1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",""],["APH","P-AMIDINOPHENYL-3-ALANINE","C10 H13 N3 O2","O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N;N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(=N)N","InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m1/s1","D-BETA(4-AMIDINOPHENYL)-ALANINE","1999-07-08","2020-06-17","4-carbamimidoyl-D-phenylalanine",""],["SUS","2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose","C6 H13 N O14 S3","N(C1C(OC(C(C1OS(O)(=O)=O)O)COS(=O)(O)=O)O)S(=O)(O)=O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1N[S](O)(=O)=O;C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O","InChI=1S/C6H13NO14S3/c8-4-2(1-19-23(13,14)15)20-6(9)3(7-22(10,11)12)5(4)21-24(16,17)18/h2-9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t2-,3-,4-,5-,6+/m1/s1","3,6-di-O-sulfo-N-sulfo-alpha-D-glucosamine; 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucose;\n2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-glucose","2009-08-18","2020-07-17","2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose",""],["API","2,6-DIAMINOPIMELIC ACID","C7 H14 N2 O4","O=C(O)C(N)CCCC(C(=O)O)N;N[CH](CCC[CH](N)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(C(=O)O)N","InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+","","1999-07-08","2024-09-27","(2R,6S)-2,6-diaminoheptanedioic acid",""],["SUT","6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one","C12 H10 N4 O S","Cc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1;Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2","InChI=1S/C12H10N4OS/c1-8-3-2-4-9(7-8)18-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)","6-(3-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2020-12-01","2021-12-03","6-(3-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2021-12-08"],["APJ","N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine","C17 H16 N8","n2c1cc(ccc1nc2)Nc5nc(Nc3cc(nn3)C4CC4)ccn5;C1CC1c2cc([nH]n2)Nc3ccnc(Nc4ccc5[nH]cnc5c4)n3;c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2","InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)","","2008-12-02","2011-06-04","N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine",""],["SUU","(E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form","C16 H13 N5 O","NC(=O)C(C#N)Cc1cccc(c1)c1ncnc2[NH]ccc12;NC(=O)[CH](Cc1cccc(c1)c2ncnc3[nH]ccc23)C#N;c1cc(cc(c1)c2c3cc[nH]c3ncn2)CC(C#N)C(=O)N","InChI=1S/C16H13N5O/c17-8-12(15(18)22)7-10-2-1-3-11(6-10)14-13-4-5-19-16(13)21-9-20-14/h1-6,9,12H,7H2,(H2,18,22)(H,19,20,21)/t12-/m0/s1","","2022-07-11","2024-09-27","(2S)-2-cyano-3-[(3M)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide","2022-08-31"],["APK","5'-O-[(S)-{[(5S)-5-AMINO-6-OXOHEXYL]AMINO}(HYDROXY)PHOSPHORYL]ADENOSINE","C16 H26 N7 O7 P","O=CC(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CCCCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NCCCCC(C=O)N)O)O)O)N","InChI=1S/C16H26N7O7P/c17-9(5-24)3-1-2-4-22-31(27,28)29-6-10-12(25)13(26)16(30-10)23-8-21-11-14(18)19-7-20-15(11)23/h5,7-10,12-13,16,25-26H,1-4,6,17H2,(H2,18,19,20)(H2,22,27,28)/t9-,10+,12+,13+,16+/m0/s1","","2006-02-21","2024-09-27","5'-O-[(S)-{[(5S)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine",""],["SUV","[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone","C23 H23 Cl N6 O2","O=C(c2cc(ccc2n1nccn1)C)N5C(C)CCN(c3nc4cc(Cl)ccc4o3)CC5;C[CH]1CCN(CCN1C(=O)c2cc(C)ccc2n3nccn3)c4oc5ccc(Cl)cc5n4;Cc1ccc(c(c1)C(=O)N2CCN(CCC2C)c3nc4cc(ccc4o3)Cl)n5nccn5","InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1","suvorexant","2014-10-27","2020-06-17","[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone","2014-12-24"],["APL","N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE","C12 H14 F3 N O3","FC(F)(F)C(O)(O)C(NC(=O)C)Cc1ccccc1;CC(=O)N[CH](Cc1ccccc1)C(O)(O)C(F)(F)F;CC(=O)NC(Cc1ccccc1)C(C(F)(F)F)(O)O","InChI=1S/C12H14F3NO3/c1-8(17)16-10(11(18,19)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10,18-19H,7H2,1H3,(H,16,17)/t10-/m0/s1","","2000-08-29","2011-06-04","N-[(1S)-1-benzyl-3,3,3-trifluoro-2,2-dihydroxypropyl]acetamide",""],["SUW","ME-A-9-N-(NAPHTHYL-2-CARBONYL)-AMINO-9-DEOXY-NEU5AC","C23 H28 N2 O9","O=C(c2cc1ccccc1cc2)NCC(O)C(O)C3OC(OC)(C(=O)O)CC(O)C3NC(=O)C;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CNC(=O)c2ccc3ccccc3c2)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O","InChI=1S/C23H28N2O9/c1-12(26)25-18-16(27)10-23(33-2,22(31)32)34-20(18)19(29)17(28)11-24-21(30)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-20,27-29H,10-11H2,1-2H3,(H,24,30)(H,25,26)(H,31,32)/t16-,17+,18+,19+,20+,23+/m0/s1","","2003-02-14","2011-06-04","methyl 5-(acetylamino)-3,5,9-trideoxy-9-[(naphthalen-2-ylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["APM","M-AMIDINOPHENYL-3-ALANINE","C10 H13 N3 O2","O=C(O)C(N)Cc1cc(ccc1)C(=[N@H])N;N[CH](Cc1cccc(c1)C(N)=N)C(O)=O;c1cc(cc(c1)C(=N)N)CC(C(=O)O)N","InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1","","1999-07-08","2011-06-04","3-carbamimidoyl-L-phenylalanine",""],["SUX","(3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","C21 H23 N5 O","C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1;C1CCc2nc([CH]3CCCO3)c(c4[nH]nnn4)c(c2CC1)c5ccccc5;c1ccc(cc1)c2c3c(nc(c2c4[nH]nnn4)C5CCCO5)CCCCC3","InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m0/s1","","2023-05-09","2023-06-09","(3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","2023-06-14"],["APN","2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE","C11 H16 N7 O3","O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC[NH3+];Nc1ncnc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N","InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1","","1999-07-08","2024-09-27","2-{[(6-amino-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium",""],["SUY","(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine","C17 H18 Cl N7 S","Clc3c2c(nc(Sc1cncnc1)nc2nc3CC)N5CC4C(N)C4C5;CCc1[nH]c2nc(Sc3cncnc3)nc(N4C[CH]5[CH](N)[CH]5C4)c2c1Cl;CCc1c(c2c([nH]1)nc(nc2N3CC4C(C3)C4N)Sc5cncnc5)Cl","InChI=1S/C17H18ClN7S/c1-2-11-13(18)12-15(22-11)23-17(26-8-3-20-7-21-4-8)24-16(12)25-5-9-10(6-25)14(9)19/h3-4,7,9-10,14H,2,5-6,19H2,1H3,(H,22,23,24)/t9-,10+,14+","","2012-08-21","2013-02-08","(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine","2013-02-08"],["APO","D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID","C3 H8 N O5 P","O=C(O)C(N)CP(=O)(O)O;N[CH](C[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)P(=O)(O)O","InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1","","2002-03-27","2011-06-04","3-phosphono-D-alanine",""],["SUZ","[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid","C20 H17 F O3 S","O=S(c1ccc(cc1)/C=C3c2ccc(F)cc2C(=C3C)CC(=O)O)C;CC1=C(CC(O)=O)c2cc(F)ccc2C1=Cc3ccc(cc3)[S](C)=O;CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)S(=O)C)F)CC(=O)O","InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1","SULINDAC","2008-11-18","2020-06-17","[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid",""],["APP","1-ACETYL-2-CARBOXYPIPERIDINE","C8 H13 N O3","O=C(N1C(C(=O)O)CCCC1)C;CC(=O)N1CCCC[CH]1C(O)=O;CC(=O)N1CCCCC1C(=O)O","InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1","","1999-07-08","2011-06-04","(2S)-1-acetylpiperidine-2-carboxylic acid",""],["SV0","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","C27 H43 F O2","C[CH](C[CH](F)CC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(CC(CC(C)(C)O)F)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C","InChI=1S/C27H43FO2/c1-18-8-11-23(29)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-22(28)17-26(3,4)30/h9-10,19,22-25,29-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23+,24-,25+,27-/m1/s1","","2023-04-13","2024-03-22","(1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","2024-03-27"],["APQ","2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE","C12 H16 N4 O S","O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCC;CCCSCc1cc(N)cc2C(=O)NC(=Nc12)N;CCCSCc1cc(cc2c1N=C(NC2=O)N)N","InChI=1S/C12H16N4OS/c1-2-3-18-6-7-4-8(13)5-9-10(7)15-12(14)16-11(9)17/h4-5H,2-3,6,13H2,1H3,(H3,14,15,16,17)","","2001-10-16","2011-06-04","2,6-diamino-8-[(propylsulfanyl)methyl]quinazolin-4(3H)-one",""],["SV1","2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate","C17 H17 N O3","O=C(OCCc1ccccc1)Cc2c(cc(N)cc2)C=O;Nc1ccc(CC(=O)OCCc2ccccc2)c(C=O)c1;c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N","InChI=1S/C17H17NO3/c18-16-7-6-14(15(10-16)12-19)11-17(20)21-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,18H2","","2012-12-04","2024-09-27","2-phenylethyl (4-amino-2-formylphenyl)acetate","2013-02-08"],["APR","ADENOSINE-5-DIPHOSPHORIBOSE","C15 H23 N5 O14 P2","O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N","InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","1999-07-08","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["SV2","[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) ","C11 H19 N5 O9 P2","O=P(O)(O)COCC(COCP(=O)(O)O)Cn1c2NC(=NC(=O)c2nc1)N;NC1=NC(=O)c2ncn(CC(COC[P](O)(O)=O)COC[P](O)(O)=O)c2N1;c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N","InChI=1S/C11H19N5O9P2/c12-11-14-9-8(10(17)15-11)13-4-16(9)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)","","2013-02-20","2013-03-22","[{2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methyl]propane-1,3-diyl}bis(oxymethanediyl)]bis(phosphonic acid)","2013-03-27"],["APS","9-HYDROXYPROPYLADENINE, S-ISOMER","C8 H11 N5 O","n1c(c2ncn(c2nc1)CC(O)C)N;C[CH](O)Cn1cnc2c(N)ncnc12;CC(Cn1cnc2c1ncnc2N)O","InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1","","2000-05-24","2011-06-04","(2S)-1-(6-amino-9H-purin-9-yl)propan-2-ol",""],["SV4","1-(3-methylpyridin-2-yl)-1,4-diazepane","C11 H17 N3","Cc1cccnc1N2CCCNCC2;Cc1cccnc1N2CCCNCC2","InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3","","2020-03-11","2020-07-17","1-(3-methylpyridin-2-yl)-1,4-diazepane","2020-07-22"],["APT","2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-METHYL]-4-HYDROXY-PTERIDIN-1-IUM","C14 H13 N6 O3","O=C(O)c1ccc(cc1)NCc2nc3c(nc2)[nH+]c(nc3O)N;Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2[nH+]1;c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O","InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)/p+1","PTERIC ACID","1999-07-08","2020-06-17","2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium",""],["SV5","1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one","C14 H12 N2 O","O=C1NC=Cc2n(Cc3ccccc3)ccc12;c1ccc(cc1)Cn2ccc3c2C=CNC3=O","InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)","","2020-12-02","2020-12-04","1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one","2020-12-09"],["APU","ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE","C19 H25 N7 O15 P2","O=C1C=CN(C(=O)N1)C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)OC5C(OC(n4cnc3c(ncnc34)N)C5O)CO;Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)N5C=CC(=O)NC5=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N","InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1","","1999-07-08","2011-06-04","(2R,3S,4R,5R)-2-({[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name)",""],["SV6","(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide","C36 H55 N7 O6","O=C(NC1CC1)C(O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)c2nccnc2)C3CCCCC3)C(C)(C)C)CC5CCCC45)CCC;CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C(=O)[CH](NC(=O)[CH](NC(=O)c3cnccn3)C4CCCCC4)C(C)(C)C)[CH](O)C(=O)NC5CC5;CCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)c5cnccn5","InChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29+,30+/m0/s1","TELAPREVIR, bound form","2011-08-08","2024-09-27","(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide (non-preferred name)","2012-08-31"],["APV","6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID","C13 H19 N3 O7 S","O=C2N1C(C(=O)O)C(SC1C2NC(=O)CCCC(C(=O)O)N)CO;N[CH](CCCC(=O)N[CH]1[CH]2S[CH](CO)[CH](N2C1=O)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)NC1C2N(C1=O)C(C(S2)CO)C(=O)O","InChI=1S/C13H19N3O7S/c14-5(12(20)21)2-1-3-7(18)15-8-10(19)16-9(13(22)23)6(4-17)24-11(8)16/h5-6,8-9,11,17H,1-4,14H2,(H,15,18)(H,20,21)(H,22,23)/t5-,6+,8+,9+,11+/m0/s1","ALPHA-HYDROXYMETHYL-BETA-DEMETHYL-ISOPENICILLIN N","2003-02-19","2020-06-17","(2S,3S,5R,6R)-6-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["SV7","phenylphosphonic acid","C6 H7 O3 P","O=P(O)(O)c1ccccc1;O[P](O)(=O)c1ccccc1;c1ccc(cc1)P(=O)(O)O","InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)","","2014-04-08","2015-04-24","phenylphosphonic acid","2015-04-29"],["APW","{5'-O-[(R)-{[(S)-AMINO(HYDROXY-KAPPAO)PHOSPHORYL]OXY}(HYDROXY-KAPPAO)PHOSPHORYL]ADENOSINATO(2-)}MAGNESIUM","C10 H14 Mg N6 O9 P2","O=P4(O[Mg]OP(=O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)O4)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]4(=O)O[Mg]O[P](N)(=O)O4)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP4(=O)O[Mg]OP(=O)(O4)N)O)O)N","InChI=1S/C10H16N6O9P2.Mg/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-27(21,22)25-26(12,19)20;/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H2,11,13,14)(H3,12,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1","MAGNESIUM-5'-ADENYLY-BETA-AMIDO-DIPHOSPHATE","2006-02-19","2020-06-17","{5'-O-[(R)-{[(S)-amino(hydroxy-kappaO)phosphoryl]oxy}(hydroxy-kappaO)phosphoryl]adenosinato(2-)}magnesium",""],["SV8","3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one","C20 H16 N4 O","O=C1NCc2c1[nH]cc2c3cnc4[nH]cc(Cc5ccccc5)c4c3;c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O","InChI=1S/C20H16N4O/c25-20-18-17(11-24-20)16(10-21-18)14-7-15-13(8-22-19(15)23-9-14)6-12-4-2-1-3-5-12/h1-5,7-10,21H,6,11H2,(H,22,23)(H,24,25)","","2020-12-02","2020-12-04","3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one","2020-12-09"],["APX","2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE","C15 H29 N5 O17 P3","O=P(O)(O)OC3C(O)C(OC3n1c2c(nc1)C(N)NC[NH2+]2)COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O;N[CH]1NC[NH2+]c2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N","InChI=1S/C15H28N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h4-6,8-12,14-15,17-18,21-24H,1-3,16H2,(H,28,29)(H,30,31)(H2,25,26,27)/p+1/t5-,6-,8-,9-,10-,11-,12-,14-,15-/m1/s1","","1999-09-29","2011-06-04","(6R)-6-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydrofuran-2-yl]-2,3,6,9-tetrahydro-1H-purin-3-ium (non-preferred name)",""],["SV9","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C48 H51 N9 O16 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)CCc7ccc(cc7)c8cccc(c8)c9ccccc9)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccc(cc7)c8cccc(c8)c9ccccc9","InChI=1S/C48H51N9O16P2/c1-25-17-32-33(18-26(25)2)57(37(60)16-13-27-11-14-29(15-12-27)31-10-6-9-30(19-31)28-7-4-3-5-8-28)39-45(53-48(65)54-46(39)64)55(32)20-34(58)40(61)35(59)21-70-74(66,67)73-75(68,69)71-22-36-41(62)42(63)47(72-36)56-24-52-38-43(49)50-23-51-44(38)56/h3-12,14-15,17-19,23-24,34-36,40-42,47,58-59,61-63H,13,16,20-22H2,1-2H3,(H,66,67)(H,68,69)(H2,49,50,51)(H2,53,54,64,65)/t34-,35+,36+,40-,41+,42+,47+/m0/s1","","2022-12-19","2024-05-31","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2024-06-05"],["APY","2-AMINOMETHYL-PYRIDINE","C6 H8 N2","n1ccccc1CN;NCc1ccccn1;c1ccnc(c1)CN","InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2","","1999-07-08","2024-09-27","1-pyridin-2-ylmethanamine",""],["SVA","SERINE VANADATE","C3 H7 N O7 V","[O-][V]([O-])([O-])(O)OCC(N)C(=O)O;N[CH](CO[V](O)([O-])([O-])[O-])C(O)=O;C(C(C(=O)O)N)O[V](O)([O-])([O-])[O-]","InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1","","1999-07-08","2024-09-27","For multi-component charged structures, a total zero charge is required!",""],["APZ","4-AMINOPHTHALHYDRAZIDE","C8 H7 N3 O2","O=C2c1c(ccc(N)c1)C(=O)NN2;Nc1ccc2C(=O)NNC(=O)c2c1;c1cc2c(cc1N)C(=O)NNC2=O","InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)","","2000-03-24","2011-06-04","6-amino-2,3-dihydrophthalazine-1,4-dione",""],["SVB","N-(4-methylpiperazin-1-yl)-2-[(5Z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide","C17 H17 Cl3 N4 O2 S2","O=C(NN1CCN(C)CC1)CN2C(=O)C(SC2=S)=Cc3c(Cl)ccc(Cl)c3Cl;CN1CCN(CC1)NC(=O)CN2C(=S)SC(=Cc3c(Cl)ccc(Cl)c3Cl)C2=O;CN1CCN(CC1)NC(=O)CN2C(=O)C(=Cc3c(ccc(c3Cl)Cl)Cl)SC2=S","InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8-","","2014-04-09","2014-11-14","N-(4-methylpiperazin-1-yl)-2-[(5Z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide","2014-11-19"],["AQ0","2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one","C19 H17 N3 O2","c4c3c(c2OC(C1CCC(CC1)N=[N+]=[N-])=CC(=O)c2cc3)ccc4;[N-]=[N+]=N[CH]1CC[CH](CC1)C2=CC(=O)c3ccc4ccccc4c3O2;c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-]","InChI=1S/C19H17N3O2/c20-22-21-14-8-5-13(6-9-14)18-11-17(23)16-10-7-12-3-1-2-4-15(12)19(16)24-18/h1-4,7,10-11,13-14H,5-6,8-9H2/t13-,14+","","2018-11-15","2019-01-25","2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one","2019-01-30"],["SVD","(5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one","C8 H16 N2 O2","CN1N(O)[CH](CC1=O)C(C)(C)C;CC(C)(C)C1CC(=O)N(N1O)C","InChI=1S/C8H16N2O2/c1-8(2,3)6-5-7(11)9(4)10(6)12/h6,12H,5H2,1-4H3/t6-/m1/s1","","2020-03-11","2020-07-17","(5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one","2020-07-22"],["AQ1","2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one","C13 H14 F N3 O","N2=C(Nc1c(F)cccc1)NC(C=C2CCC)=O;CCCC1=CC(=O)NC(=N1)Nc2ccccc2F;CCCC1=CC(=O)NC(=N1)Nc2ccccc2F","InChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18)","","2017-07-20","2018-01-05","2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one","2018-01-10"],["SVE","N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE","C35 H39 F3 N8 O3","O=C(Nc1c(cccc1CC)CC)c4nn(c3c2nc(ncc2CCc34)Nc6ccc(C(=O)NC5CCN(C)CC5)cc6OC(F)(F)F)C;CCc1cccc(CC)c1NC(=O)c2nn(C)c3c2CCc4cnc(Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(C)CC6)nc34;CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC","InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)","","2010-03-17","2011-06-04","N-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide",""],["AQ2","N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide","C21 H25 N3 O4 S2","O=S4(=O)CCC(NS(=O)(=O)c3ccc(c2ccnc1nc(cc12)C(C)C)cc3)CC4;CC(C)c1[nH]c2nccc(c3ccc(cc3)[S](=O)(=O)NC4CC[S](=O)(=O)CC4)c2c1;CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4","InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23)","","2012-06-03","2014-09-05","N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide","2013-05-01"],["SVF","1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone","C14 H18 F N O","CC(=O)N1CCC(CC1)Cc2ccc(F)cc2;CC(=O)N1CCC(CC1)Cc2ccc(cc2)F","InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3","","2017-06-21","2018-04-20","1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone","2018-04-25"],["AQ3","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanine","C17 H22 N3 O8 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CNc2ccccc2O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CNc2ccccc2O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CNc2ccccc2O)C(=O)O)O","InChI=1S/C17H22N3O8P/c1-10-16(22)12(11(6-18-10)9-28-29(25,26)27)7-19-14(17(23)24)8-20-13-4-2-3-5-15(13)21/h2-6,14,19-22H,7-9H2,1H3,(H,23,24)(H2,25,26,27)/t14-/m1/s1","","2013-05-20","2013-12-27","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanine","2014-01-01"],["SVG","(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine","C14 H13 Cl N2","CC(=NCc1cccnc1)c2ccc(Cl)cc2;CC(=NCc1cccnc1)c2ccc(cc2)Cl","InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+","","2020-03-11","2020-07-17","(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine","2020-07-22"],["AQ4","[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE","C22 H23 N3 O4","n2c1c(cc(OCCOC)c(OCCOC)c1)c(nc2)Nc3cc(C#C)ccc3;COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC;COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C","InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)","ERLOTINIB","2002-06-26","2020-06-17","N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine",""],["SVH","3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one","C13 H9 F N4 O","Fc1cc2[nH]ncc2c(c1)c3c[nH]c4C(=O)NCc34;c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F","InChI=1S/C13H9FN4O/c14-6-1-7(9-5-17-18-11(9)2-6)8-3-15-12-10(8)4-16-13(12)19/h1-3,5,15H,4H2,(H,16,19)(H,17,18)","","2020-12-02","2020-12-04","3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one","2020-12-09"],["AQ5","(6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane","C20 H24 N6","C1CC[C]2(CCCN(C2)c3ccnc4[nH]cc(c5ccncn5)c34)NC1;c1cnc2c(c1N3CCCC4(C3)CCCCN4)c(c[nH]2)c5ccncn5","InChI=1S/C20H24N6/c1-2-8-25-20(6-1)7-3-11-26(13-20)17-5-10-22-19-18(17)15(12-23-19)16-4-9-21-14-24-16/h4-5,9-10,12,14,25H,1-3,6-8,11,13H2,(H,22,23)/t20-/m0/s1","","2017-08-22","2018-02-16","(6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane","2018-02-21"],["SVI","(4S)-[1,2,4]triazolo[4,3-a]pyrazine","C5 H4 N4","c1cncc2nncn12;c1cn2cnnc2cn1;c1cn2cnnc2cn1","InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H","","2023-08-28","2023-11-24","(4S)-[1,2,4]triazolo[4,3-a]pyrazine","2023-11-29"],["AQ6","4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid","C31 H32 N4 O4","Nc1c(cc(Nc2ccc(cc2)C(O)=O)c3C(=O)c4ccccc4C(=O)c13)N5CCN(CC5)C6CCCCC6;c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O","InChI=1S/C31H32N4O4/c32-28-25(35-16-14-34(15-17-35)21-6-2-1-3-7-21)18-24(33-20-12-10-19(11-13-20)31(38)39)26-27(28)30(37)23-9-5-4-8-22(23)29(26)36/h4-5,8-13,18,21,33H,1-3,6-7,14-17,32H2,(H,38,39)","","2018-11-15","2020-01-17","4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid","2020-01-22"],["SVJ","(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine","C8 H16 N2","CN1[CH]2CC[CH]1C[CH](N)C2;CN1C2CCC1CC(C2)N","InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-","","2020-03-11","2020-07-17","(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine","2020-07-22"],["AQ7","N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine","C12 H20 N2 O4","C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1;CCC(=O)N1CCC[CH](C1)C(=O)N[CH](C)C(O)=O;CCC(=O)N1CCCC(C1)C(=O)NC(C)C(=O)O","InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1","N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form","2017-07-21","2024-09-27","N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine","2018-01-17"],["SVK","3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine","C14 H12 N2","C(c1ccccc1)c2c[nH]c3ncccc23;c1ccc(cc1)Cc2c[nH]c3c2cccn3","InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16)","","2020-12-02","2020-12-04","3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine","2020-12-09"],["AQ8","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine","C25 H26 Cl N3 O","CCc1ccccc1c2ccc(CNCCc3[nH]c4cccc(OC)c4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC","InChI=1S/C25H26ClN3O/c1-3-18-7-4-5-8-19(18)20-12-11-17(15-21(20)26)16-27-14-13-24-28-22-9-6-10-23(30-2)25(22)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)","","2017-08-22","2018-02-23","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine","2018-02-28"],["SVL","1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one","C17 H25 Cl N2 O","CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O;CC(C)C[CH]1CN(CCN1Cc2cccc(Cl)c2)C(C)=O;CC(C)CC1CN(CCN1Cc2cccc(c2)Cl)C(=O)C","InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m1/s1","","2022-07-11","2024-09-27","1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one","2023-05-17"],["AQ9","1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose","C32 H50 O13","C=C1/C5(CC4(C1)CCC3C(C(OC2OC(C(C(O)C2O)O)CO)=O)(C)CCCC3(C4CC5)C)OC6OC(CO)C(O)C(O)C6O;C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(=O)O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1","Rubusoside","2018-11-15","2021-03-01","1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose","2019-07-31"],["SVM","1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea","C15 H21 N3 S","S=C(NCCc1ccccn1)N[CH]2C[CH]3CC[CH]2C3;c1ccnc(c1)CCNC(=S)NC2CC3CCC2C3","InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12+,14+/m0/s1","","2020-03-11","2020-07-17","1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea","2020-07-22"],["AQA","4-deoxy-beta-L-threo-hex-4-enopyranuronic acid","C6 H8 O6","O=C(O)C=1OC(C(C(C=1)O)O)O;O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O;C1=C(OC(C(C1O)O)O)C(=O)O","InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1","4-deoxy-beta-L-threo-hex-4-enuronic acid; 4-deoxy-L-threo-hex-4-enuronic acid; 4-deoxy-threo-hex-4-enuronic acid","2011-06-24","2020-07-17","4-deoxy-beta-L-threo-hex-4-enopyranuronic acid",""],["SVN","thieno[2,3-b]pyrazin-7-amine","C6 H5 N3 S","n1c2scc(c2ncc1)N;Nc1csc2nccnc12;c1cnc2c(n1)c(cs2)N","InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2","","2014-01-08","2014-04-11","thieno[2,3-b]pyrazin-7-amine","2014-04-16"],["AQB","N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide","C34 H40 N10 O2","O=C(Nc5cc1c(ncnc1Nc2ccc(cc2)NC(=O)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C)cc5)CCCN(C)C;CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4c5cccc(N)c5)C(C)(C)C)cc3)c2c1;CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C","InChI=1S/C34H40N10O2/c1-34(2,3)29-20-30(44(42-29)26-9-6-8-22(35)18-26)41-33(46)40-24-13-11-23(12-14-24)39-32-27-19-25(15-16-28(27)36-21-37-32)38-31(45)10-7-17-43(4)5/h6,8-9,11-16,18-21H,7,10,17,35H2,1-5H3,(H,38,45)(H,36,37,39)(H2,40,41,46)","","2011-10-06","2012-10-05","N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide","2012-10-05"],["SVO","4-(dimethylamino)-~{N}-nitro-benzenesulfonamide","C8 H11 N3 O4 S","CN(C)c1ccc(cc1)[S](=O)(=O)N[N+]([O-])=O;CN(C)c1ccc(cc1)S(=O)(=O)N[N+](=O)[O-]","InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3","","2022-12-19","2023-12-22","4-(dimethylamino)-~{N}-nitro-benzenesulfonamide","2023-12-27"],["AQC","9,10-dioxo-9,10-dihydroanthracene-2-carboxamide","C15 H9 N O3","O=C(N)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3;NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1;c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N","InChI=1S/C15H9NO3/c16-15(19)8-5-6-11-12(7-8)14(18)10-4-2-1-3-9(10)13(11)17/h1-7H,(H2,16,19)","","2009-06-16","2011-06-04","9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",""],["SVP","chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium","C29 H46 Cl N3 O2 P Pd S","C4(CCCCC(NCCP(C(C)(C)C)([Pd]1(Cl)CC=C1c2ccccc2)C(C)(C)C)=O)C3NC(=O)NC3CS4;CC(C)(C)P(CCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(C)(C)C.Cl[Pd]3CC=C3c4ccccc4;CC(C)(C)[P](CCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl","InChI=1S/C20H38N3O2PS.C9H8.ClH.Pd/c1-19(2,3)26(20(4,5)6)12-11-21-16(24)10-8-7-9-15-17-14(13-27-15)22-18(25)23-17;1-2-6-9-7-4-3-5-8-9;;/h14-15,17H,7-13H2,1-6H3,(H,21,24)(H2,22,23,25);2-5,7-8H,1H2;1H;/t14-,15-,17-;;;/m0.../s1","","2015-07-23","2015-10-30","chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium","2015-11-04"],["AQD","Nemonapride","C21 H26 Cl N3 O2","COc1c(cc(c(c1)NC)Cl)C(=O)NC2CCN(C2C)Cc3ccccc3;CNc1cc(OC)c(cc1Cl)C(=O)N[CH]2CCN(Cc3ccccc3)[CH]2C;CC1C(CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl","InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1","N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide","2017-07-21","2021-03-13","N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide","2017-10-18"],["SVQ","1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID","C20 H19 Cl2 N O3","OC(=O)[CH]1CCC(=O)N(CCc2ccc(Cl)cc2)[CH]1c3ccccc3Cl;c1ccc(c(c1)C2C(CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl","InChI=1S/C20H19Cl2NO3/c21-14-7-5-13(6-8-14)11-12-23-18(24)10-9-16(20(25)26)19(23)15-3-1-2-4-17(15)22/h1-8,16,19H,9-12H2,(H,25,26)/t16-,19+/m1/s1","","2015-08-17","2015-10-16","(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxidanylidene-piperidine-3-carboxylic acid","2015-10-21"],["AQE","2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole","C19 H23 N5 S","C1CC[C]2(CCCN(C2)c3ccnc4[nH]cc(c5sccn5)c34)NC1;c1cnc2c(c1N3CCCC4(C3)CCCCN4)c(c[nH]2)c5nccs5","InChI=1S/C19H23N5S/c1-2-7-23-19(5-1)6-3-10-24(13-19)15-4-8-20-17-16(15)14(12-22-17)18-21-9-11-25-18/h4,8-9,11-12,23H,1-3,5-7,10,13H2,(H,20,22)/t19-/m0/s1","","2017-08-22","2018-02-16","2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole","2018-02-21"],["SVR","8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON\nIC ACID","C51 H40 N6 O23 S6","O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(c(cc3)C)NC(=O)c4cc(ccc4)NC(=O)Nc5cccc(c5)C(=O)Nc6c(ccc(c6)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O;Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)c2)C(=O)Nc7ccc(c8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)","SURAMIN","2004-12-15","2020-06-17","8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]naphthalene-1,3,5-trisulfonic acid",""],["AQF","2-(chloromethyl)-1H-benzimidazole","C8 H7 Cl N2","ClCc1nc2ccccc2[NH]1;ClCc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)CCl","InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)","","2021-11-09","2026-02-06","2-(chloromethyl)-1H-benzimidazole","2026-02-11"],["SVS","5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine","C18 H22 N6 O6 S","O=S(=O)(NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCc4ccccc4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)CCc4ccccc4O)[CH](O)[CH]3O;c1ccc(c(c1)CCS(=O)(=O)NCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O","InChI=1S/C18H22N6O6S/c19-16-13-17(21-8-20-16)24(9-22-13)18-15(27)14(26)12(30-18)7-23-31(28,29)6-5-10-3-1-2-4-11(10)25/h1-4,8-9,12,14-15,18,23,25-27H,5-7H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1","","2011-04-12","2024-09-27","5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine",""],["AQG","4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide","C23 H30 N6 O2","c12nc(nc(c1ncn2)OCC3CCCCC3)Nc4ccc(cc4)C(N(CC)CC)=O;CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1;CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3","InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)","","2017-07-23","2018-07-27","4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide","2018-08-01"],["SVT","5-methoxy-1~{H}-indazole","C8 H8 N2 O","COc1ccc2[nH]ncc2c1;COc1ccc2c(c1)cn[nH]2","InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)","","2020-12-02","2020-12-04","5-methoxy-1~{H}-indazole","2020-12-09"],["AQH","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate","C17 H27 N5 O16 P2","O=P(OP(=O)(OC1OC(C(O)C(O)C1O)C(O)CO)O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)N","InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9-,10-,11-,12-,13+,16-,17-/m1/s1","","2014-09-30","2020-01-26","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2014-11-05"],["SVU","1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine","C7 H13 N3","CCn1ccc(CNC)n1;CCn1ccc(CNC)n1;CCn1ccc(n1)CNC","InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3","","2023-08-28","2023-11-24","1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine","2023-11-29"],["AQI","(3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone","C13 H8 F N O6","Oc1cc(F)cc(c1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O;c1c(cc(cc1O)F)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]","InChI=1S/C13H8FNO6/c14-8-1-6(2-9(16)5-8)12(18)7-3-10(15(20)21)13(19)11(17)4-7/h1-5,16-17,19H","(3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone","2021-11-30","2022-11-25","(3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone","2022-11-30"],["SVV","O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE","C3 H9 N2 O5 P","O=P(O)(OCC(C(=O)O)N)N;N[CH](CO[P](N)(O)=O)C(O)=O;C(C(C(=O)O)N)OP(=O)(N)O","InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1","","2007-02-13","2024-09-27","O-[(S)-amino(hydroxy)phosphoryl]-L-serine",""],["AQJ","(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside","C28 H47 N O8","C1(OC(C(C)C(C(C)C(C(C)CC(C(C=CC1(C)O)=O)C)OC2C(C(CC(C)O2)N(C)C)O)=O)=O)CC;CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=C[C]1(C)O;CCC1C(C=CC(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(C)O","InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1","Pikromycin","2017-07-24","2021-03-01","(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside","2018-02-14"],["SVW","O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE","C3 H9 N2 O5 P","O=P(O)(OCC(C(=O)O)N)N;N[CH](CO[P](N)(O)=O)C(O)=O;C(C(C(=O)O)N)OP(=O)(N)O","InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1","","2007-02-13","2024-09-27","O-[(R)-amino(hydroxy)phosphoryl]-L-serine",""],["AQK","(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid","C7 H14 N2 O4","NCCC[CH](NCC(O)=O)C(O)=O;C(CC(C(=O)O)NCC(=O)O)CN","InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1","","2017-08-22","2017-12-15","(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid","2017-12-20"],["SVX","O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-SERINE","C6 H14 N O5 P","O=P(OCC)(OCC(N)C(=O)O)C;CCO[P](C)(=O)OC[CH](N)C(O)=O;CCOP(=O)(C)OCC(C(=O)O)N","InChI=1S/C6H14NO5P/c1-3-11-13(2,10)12-4-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/t5-,13+/m0/s1","","2007-02-13","2024-09-27","O-[(R)-ethoxy(methyl)phosphoryl]-L-serine",""],["AQL","8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one","C30 H29 N O6","COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(OCc5ccncc5)c3C(=O)c2c1CC=C(C)C;CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OCc5ccncc5)C=CC(O4)(C)C)C","InChI=1S/C30H29NO6/c1-17(2)6-7-20-25-23(14-21(32)28(20)34-5)36-24-15-22-19(8-11-30(3,4)37-22)29(26(24)27(25)33)35-16-18-9-12-31-13-10-18/h6,8-15,32H,7,16H2,1-5H3","","2022-03-25","2023-02-17","8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one","2023-02-22"],["SVY","O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE","C9 H20 N O6 P","O=C(O)C(N)COP(=O)(OC(C)C)OC(C)C;CC(C)O[P](=O)(OC[CH](N)C(O)=O)OC(C)C;CC(C)OP(=O)(OCC(C(=O)O)N)OC(C)C","InChI=1S/C9H20NO6P/c1-6(2)15-17(13,16-7(3)4)14-5-8(10)9(11)12/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1","","2007-02-13","2024-09-27","O-[bis(propan-2-yloxy)phosphoryl]-L-serine",""],["AQM","N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide","C36 H43 N11 O2","O=C(Nc5cc1c(ncnc1Nc2ccc(cc2)NC(=O)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C)cc5)CCN6CCN(C)CC6;CN1CCN(CC1)CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(nn5c6cccc(N)c6)C(C)(C)C)cc4)c3c2;CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C","InChI=1S/C36H43N11O2/c1-36(2,3)31-22-32(47(44-31)28-7-5-6-24(37)20-28)43-35(49)42-26-10-8-25(9-11-26)41-34-29-21-27(12-13-30(29)38-23-39-34)40-33(48)14-15-46-18-16-45(4)17-19-46/h5-13,20-23H,14-19,37H2,1-4H3,(H,40,48)(H,38,39,41)(H2,42,43,49)","","2011-10-06","2012-10-05","N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide","2012-10-05"],["SVZ","O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPHORYL]-L-SERINE","C6 H15 N2 O5 P","O=P(O)(OCC(N)C(=O)O)NC(C)C;CC(C)N[P](O)(=O)OC[CH](N)C(O)=O;CC(C)NP(=O)(O)OCC(C(=O)O)N","InChI=1S/C6H15N2O5P/c1-4(2)8-14(11,12)13-3-5(7)6(9)10/h4-5H,3,7H2,1-2H3,(H,9,10)(H2,8,11,12)/t5-/m0/s1","","2007-02-13","2024-09-27","O-{(R)-hydroxy[(1-methylethyl)amino]phosphoryl}-L-serine",""],["AQN","9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","C14 H8 O5 S","O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3;O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1;c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O","InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)","","2011-10-20","2011-12-23","9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",""],["SW0","N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide","C11 H9 F N2 O2","Cc1cc(no1)C(=O)Nc1ccccc1F;Cc1onc(c1)C(=O)Nc2ccccc2F;Cc1cc(no1)C(=O)Nc2ccccc2F","InChI=1S/C11H9FN2O2/c1-7-6-10(14-16-7)11(15)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,15)","","2022-07-11","2023-06-16","N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide","2023-06-21"],["AQO","2-AMINOQUINAZOLIN-4(3H)-ONE","C8 H7 N3 O","O=C1c2c(N=C(N1)N)cccc2;NC1=Nc2ccccc2C(=O)N1;c1ccc2c(c1)C(=O)NC(=N2)N","InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)","","2004-01-15","2011-06-04","2-aminoquinazolin-4(3H)-one",""],["SW1","1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine","C8 H8 N2 S2","s1cccc1c2nc(cs2)CN;NCc1csc(n1)c2sccc2;c1cc(sc1)c2nc(cs2)CN","InChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2","","2011-06-08","2011-08-19","1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine",""],["AQP","ADENOSINE-5'-TETRAPHOSPHATE","C10 H17 N5 O16 P4","O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","2003-03-12","2011-06-04","5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine",""],["SW2","1-[3-(1H-pyrrol-1-yl)phenyl]methanamine","C11 H12 N2","c1ccc(cc1CN)n2cccc2;NCc1cccc(c1)n2cccc2;c1ccn(c1)c2cccc(c2)CN","InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2","","2011-06-08","2011-08-19","1-[3-(1H-pyrrol-1-yl)phenyl]methanamine",""],["AQQ","(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid","C8 H16 N2 O4","C[CH](N[CH](CCCN)C(O)=O)C(O)=O;CC(C(=O)O)NC(CCCN)C(=O)O","InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1","","2017-08-22","2017-12-15","(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid","2017-12-20"],["SW3","1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine","C6 H11 N3","n1c(cc(n1C)C)CN;Cn1nc(CN)cc1C;Cc1cc(nn1C)CN","InChI=1S/C6H11N3/c1-5-3-6(4-7)8-9(5)2/h3H,4,7H2,1-2H3","","2011-06-08","2011-08-19","1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine",""],["AQR","(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid","C29 H38 O4","C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C;CC1=C(O)C(=O)C=C2C1=CC=C3[C]2(C)CC[C]4(C)[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O;CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O","InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1","","2018-11-20","2024-09-27","(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid","2022-12-28"],["SW4","2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol","C14 H20 N2 O2","n2cc(OCC1NCC1)cc(c2)C3CC3CCO;OCC[CH]1C[CH]1c2cncc(OC[CH]3CCN3)c2;c1c(cncc1OCC2CCN2)C3CC3CCO","InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1","","2012-08-03","2014-09-05","2-[(1R,2S)-2-{5-[(2S)-azetidin-2-ylmethoxy]pyridin-3-yl}cyclopropyl]ethanol","2012-09-21"],["AQS","N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE","C20 H25 N3 O4 S","O=S(=O)(N(CCC[NH3+])CCC[NH3+])c3ccc2C(=O)c1c(cccc1)C(=O)c2c3;[NH3+]CCCN(CCC[NH3+])[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1;c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+]","InChI=1S/C20H23N3O4S/c21-9-3-11-23(12-4-10-22)28(26,27)14-7-8-17-18(13-14)20(25)16-6-2-1-5-15(16)19(17)24/h1-2,5-8,13H,3-4,9-12,21-22H2/p+2","","1999-07-08","2011-06-04","3,3'-{[(9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfonyl]imino}dipropan-1-aminium",""],["SW5","3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C22 H22 F N5","Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1;c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F","InChI=1S/C22H22FN5/c23-19-3-1-15(2-4-19)9-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-5-7-24-8-6-20/h1-4,10-14,20,24H,5-9H2,(H,25,26)","","2020-12-02","2020-12-04","3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2020-12-09"],["AQT","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine","C25 H26 Cl N3 O","CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(OC)cc4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC","InChI=1S/C25H26ClN3O/c1-3-18-6-4-5-7-20(18)21-10-8-17(14-22(21)26)16-27-13-12-25-28-23-11-9-19(30-2)15-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)","","2017-08-22","2018-02-23","~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine","2018-02-28"],["SW6","2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate","C16 H22 N3 O5 P S","CCC(=O)c1sc(CCO[P](O)(O)=O)c(C)c1Cc2cnc(C)nc2N;CCC(=O)c1c(c(c(s1)CCOP(=O)(O)O)C)Cc2cnc(nc2N)C","InChI=1S/C16H22N3O5PS/c1-4-13(20)15-12(7-11-8-18-10(3)19-16(11)17)9(2)14(26-15)5-6-24-25(21,22)23/h8H,4-7H2,1-3H3,(H2,17,18,19)(H2,21,22,23)","","2022-12-19","2023-06-09","2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate","2023-06-14"],["AQU","1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea","C28 H28 N8 O","O=C(Nc3ccc(Nc2ncnc1c2cccc1)cc3)Nc5cc(nn5c4cc(ccc4)N)C(C)(C)C;CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)c5cccc(N)c5;CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4","InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-8-6-7-18(29)15-21)34-27(37)33-20-13-11-19(12-14-20)32-26-22-9-4-5-10-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)","","2011-10-07","2012-10-05","1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea","2012-10-05"],["SW7","4-methylbenzamide","C8 H9 N O","Cc1ccc(cc1)C(N)=O;Cc1ccc(cc1)C(=O)N","InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)","","2020-03-11","2020-07-17","4-methylbenzamide","2020-07-22"],["AQV","2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione","C22 H22 N2 O3","c12c(cccc1)C(N(C2=O)CC(N3c4c(C(CC3(C)C)C)cccc4)=O)=O;C[CH]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14;CC1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C","InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1","","2017-07-24","2017-10-13","2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione","2017-10-18"],["SW8","3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C22 H22 F N5","Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1;c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5","InChI=1S/C22H22FN5/c23-19-3-1-2-15(9-19)8-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-4-6-24-7-5-20/h1-3,9-14,20,24H,4-8H2,(H,25,26)","","2020-12-02","2020-12-04","3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2020-12-09"],["AQW","2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine","C24 H23 Cl2 N3","CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(Cl)cc4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl","InChI=1S/C24H23Cl2N3/c1-2-17-5-3-4-6-19(17)20-9-7-16(13-21(20)26)15-27-12-11-24-28-22-10-8-18(25)14-23(22)29-24/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)","","2017-08-22","2018-02-23","2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine","2018-02-28"],["SW9","4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione","C10 H17 N O2 S","O=S1(=O)CCC(CC1)N(C)C=C=CC;C[CH]=[C]=[CH]N(C)C1CC[S](=O)(=O)CC1;CC=C=CN(C)C1CCS(=O)(=O)CC1","InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3","","2023-08-28","2023-11-24","4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione","2023-11-29"],["AQX","N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide","C19 H13 Br F N5 O2 S","Brc1ccc(cc1)NC(=O)CSC1=Nc2c(cnn2c2ccc(F)cc2)C(=O)N1;Fc1ccc(cc1)n2ncc3C(=O)NC(=Nc23)SCC(=O)Nc4ccc(Br)cc4;c1cc(ccc1NC(=O)CSC2=Nc3c(cnn3c4ccc(cc4)F)C(=O)N2)Br","InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28)","","2021-11-09","2022-10-07","N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide","2022-10-12"],["AQY","N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide","C25 H19 F N6 O2","c1(ccc(F)c(C)c1)c4c(c3cc(NC(c2cc([n+](cc2)[O-])C)=O)ncc3)n5c(n4)cccn5;Cc1cc(ccc1F)c2nc3cccnn3c2c4ccnc(NC(=O)c5cc[n+]([O-])c(C)c5)c4;Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-]","InChI=1S/C25H19FN6O2/c1-15-12-17(5-6-20(15)26)23-24(32-22(30-23)4-3-9-28-32)18-7-10-27-21(14-18)29-25(33)19-8-11-31(34)16(2)13-19/h3-14H,1-2H3,(H,27,29,33)","","2017-07-25","2018-01-12","N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide","2018-01-17"],["SWA","1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL","C8 H15 N O3","OC1CCCN2C1C(O)C(O)C2;O[CH]1CCCN2C[CH](O)[CH](O)[CH]12;C1CC(C2C(C(CN2C1)O)O)O","InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1","SWAINSONINE","2001-01-15","2020-06-17","(1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol",""],["SWB","3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one","C14 H12 N4 O","Cc1c[nH]c2ncc(cc12)c3c[nH]c4C(=O)NCc34;Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O","InChI=1S/C14H12N4O/c1-7-3-16-13-9(7)2-8(4-17-13)10-5-15-12-11(10)6-18-14(12)19/h2-5,15H,6H2,1H3,(H,16,17)(H,18,19)","","2020-12-02","2020-12-04","3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one","2020-12-09"],["AQZ","N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE","C32 H37 N7 O4","O=C(Nc4ccc(c(Nc3ncnc2c3cc(OCCN1CCCC1)c(OC)c2)c4)C)c5cc(ncc5)N6CCOCC6;COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN6CCCC6;Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6","InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)","","2005-10-19","2014-09-12","N-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide",""],["SWC","N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide","C20 H33 F N3 O10 P S","OS(F)(O)c1ccc(CCNC(=O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)cc1;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCC(=O)NCCc1ccc(cc1)[S](O)(O)F;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCC(=O)NCCc1ccc(cc1)S(O)(O)F)O","InChI=1S/C20H33FN3O10PS/c1-20(2,13-34-35(29,30)31)18(27)19(28)24-12-9-17(26)23-11-8-16(25)22-10-7-14-3-5-15(6-4-14)36(21,32)33/h3-6,18,27,32-33H,7-13H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H2,29,30,31)/t18-/m0/s1","","2022-07-12","2024-09-27","N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide","2023-07-12"],["AR","ARGON","Ar","[Ar];[Ar];[Ar]","InChI=1S/Ar","","1999-12-21","2011-06-04","argon",""],["SWD","4-chloranylthieno[3,2-d]pyrimidine","C6 H3 Cl N2 S","Clc1ncnc2ccsc12;c1csc2c1ncnc2Cl","InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H","","2020-03-11","2020-07-17","4-chloranylthieno[3,2-d]pyrimidine","2020-07-22"],["AR0","4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol","C14 H25 N5 O3","O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])[CH](O)C[n+]1ccc(CC(O)=O)cc1;c1c[n+](ccc1CC(=O)O)CC(C(CCCNC(=[NH2+])N)N)O","InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1","","2010-09-17","2024-09-27","4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol",""],["SWE","alpha-D-fructofuranosyl alpha-D-glucopyranoside","C12 H22 O11","O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO;OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1","","2009-09-17","2020-07-17","alpha-D-fructofuranosyl alpha-D-glucopyranoside",""],["AR1","(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1\nH-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM","C20 H28 N11 O4","O=C(c1nc(NC=O)cn1C)Nc3nc(C(=O)Nc2nc(C(=O)NCC[NH+](C)C)n(c2)C)n(c3)C;Cn1cc(NC=O)nc1C(=O)Nc2cn(C)c(n2)C(=O)Nc3cn(C)c(n3)C(=O)NCC[NH+](C)C;Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O","InChI=1S/C20H27N11O4/c1-28(2)7-6-21-18(33)15-24-13(9-30(15)4)26-20(35)17-25-14(10-31(17)5)27-19(34)16-23-12(22-11-32)8-29(16)3/h8-11H,6-7H2,1-5H3,(H,21,33)(H,22,32)(H,26,35)(H,27,34)/p+1","TRI-IMIDAZOLE DNA MINOR GROOVE BINDER; AR-1-144","1999-07-16","2020-06-17","2-({[4-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-N,N-dimethylethanaminium",""],["SWF","S-WARFARIN","C19 H16 O4","O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3;CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O;CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O","InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1","","2003-04-24","2011-11-03","4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one",""],["AR2","ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACID","C14 H17 N5 O3 S","O=C(O)c1ccc2nc(sc2c1)C(=O)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)C(=O)c1sc2cc(ccc2n1)C(O)=O;c1cc2c(cc1C(=O)O)sc(n2)C(=O)C(CCCNC(=N)N)N","InChI=1S/C14H17N5O3S/c15-8(2-1-5-18-14(16)17)11(20)12-19-9-4-3-7(13(21)22)6-10(9)23-12/h3-4,6,8H,1-2,5,15H2,(H,21,22)(H4,16,17,18)/t8-/m0/s1","","2000-01-04","2011-06-04","2-(L-arginyl)-1,3-benzothiazole-6-carboxylic acid",""],["SWG","2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid","C16 H16 N4 O4","N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O;c1ccc2c(c1)c(c[nH]2)C=C3C(=O)N(C(=N3)C(CO)N)CC(=O)O","InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1","","2011-03-25","2024-09-27","2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid",""],["AR3","CYTARABINE","C9 H13 N3 O5","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O","InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1","1-BETA-D-ARABINOFURANOSYLCYTOSINE; ARA-C","2003-04-29","2020-06-17","4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one",""],["SWH","{4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-)","C24 H20 B F N O6 S","O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4;O[B-](O)(O)c1ccc(COc2ccc(cc2)C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc1;[B-](c1ccc(cc1)COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O","InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13-","HA155 INHIBITOR","2010-09-14","2024-09-27","{4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)",""],["AR4","2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid","C10 H16 F N O8","O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N;N[CH](CCC(=O)O[CH]1O[CH](CO)[CH](O)[C]1(O)F)C(O)=O;C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N","InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1","MODIFIED RIBOSYLATED GLUTAMYL ESTER","2004-02-16","2020-06-21","(2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name)",""],["SWI","SWINHOLIDE A","C78 H132 O20","O=C4OC(C(C)C(O)C(C)CCC1OC(C)CC(OC)C1)C(C)C(O)CC(O)C(C)C(OC)CC2OC(C=CC2)CC(O)CC=C(C=CC(=O)OC(C(C)C(O)CC(O)C(C)C(OC)CC3OC(C=CC3)CC(O)CC=C(C=C4)C)C(C)C(O)C(CCC5OC(CC(OC)C5)C)C)C;CO[CH]1C[CH](C)O[CH](CC[CH](C)[CH](O)[CH](C)[CH]2OC(=O)C=CC(=CC[CH](O)C[CH]3O[CH](CC=C3)C[CH](OC)[CH](C)[CH](O)C[CH](O)[CH](C)[CH](OC(=O)C=CC(=CC[CH](O)C[CH]4O[CH](CC=C4)C[CH](OC)[CH](C)[CH](O)C[CH](O)[CH]2C)C)[CH](C)[CH](O)[CH](C)CC[CH]5C[CH](C[CH](C)O5)OC)C)C1;CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(C(C(CC3CC=CC(O3)CC(CC=C(C=CC(=O)OC(C(C(CC(C(C(CC4CC=CC(O4)CC(CC=C(C=CC(=O)O2)C)O)OC)C)O)O)C)C(C)C(C(C)CCC5CC(CC(O5)C)OC)O)C)O)OC)C)O)O)C)O)OC","InChI=1S/C78H132O20/c1-45-23-29-57(79)37-59-19-17-21-61(95-59)41-71(91-15)52(8)68(82)44-70(84)54(10)78(56(12)76(88)48(4)28-32-64-40-66(90-14)36-50(6)94-64)98-74(86)34-26-46(2)24-30-58(80)38-60-20-18-22-62(96-60)42-72(92-16)51(7)67(81)43-69(83)53(9)77(97-73(85)33-25-45)55(11)75(87)47(3)27-31-63-39-65(89-13)35-49(5)93-63/h17-20,23-26,33-34,47-72,75-84,87-88H,21-22,27-32,35-44H2,1-16H3/b33-25+,34-26+,45-23-,46-24+/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65+,66+,67-,68-,69+,70+,71-,72-,75-,76-,77-,78-/m0/s1","","2005-03-23","2011-06-04","(1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25R,27Z,29E,33S,34S,35R,37S,38S,39S,41S)-3,13,15,25,35,37-hexahydroxy-11-{(1S,2S,3R)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-33-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1~19,23~]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione",""],["AR5","N~2~-(tert-butoxycarbonyl)-L-arginine","C11 H22 N4 O4","O=C(NC(CCCNC(=N)N)C(=O)O)OC(C)(C)C;CC(C)(C)OC(=O)N[CH](CCCNC(N)=N)C(O)=O;CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1","","2016-03-30","2017-03-31","N~2~-(tert-butoxycarbonyl)-L-arginine","2017-04-05"],["SWJ","2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide","C8 H12 N2 O2","CC(=O)[CH](CC#C)NC(=O)CN;CC(=O)C(CC#C)NC(=O)CN","InChI=1S/C8H12N2O2/c1-3-4-7(6(2)11)10-8(12)5-9/h1,7H,4-5,9H2,2H3,(H,10,12)/t7-/m0/s1","","2020-03-12","2024-09-27","2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide","2021-03-17"],["AR6","[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE","C15 H23 N5 O14 P2","O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N","InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","Adenosine-5-Diphosphoribose","2009-08-10","2025-01-29","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["SWK","3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C22 H22 F N5","Fc1ccccc1Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5;c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F","InChI=1S/C22H22FN5/c23-21-4-2-1-3-15(21)9-17-12-26-22-20(17)10-16(11-25-22)18-13-27-28(14-18)19-5-7-24-8-6-19/h1-4,10-14,19,24H,5-9H2,(H,25,26)","","2020-12-02","2020-12-04","3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2020-12-09"],["AR7","amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium","C6 H17 N4 O2","OC(O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C(O)O;C(CC(C(O)O)N)CNC(=[NH2+])N","InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1","","2010-09-24","2024-09-27","amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium",""],["SWL","2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine","C19 H23 N5 O S3","Cc1ncc(n1C)c2c4c(nc(c2)c3nccs3)sc(c4N)S(O)CCCC;CCCC[SH](O)c1sc2nc(cc(c3cnc(C)n3C)c2c1N)c4sccn4;CCCCS(c1c(c2c(cc(nc2s1)c3nccs3)c4cnc(n4C)C)N)O","InChI=1S/C19H23N5OS3/c1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17/h6-7,9-10,25,28H,4-5,8,20H2,1-3H3","","2020-04-27","2023-02-24","2-[(S)-butyl(hydroxy)-lambda~4~-sulfanyl]-4-(1,2-dimethyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine","2023-03-01"],["AR8","N-{[(1S)-1-carboxy-5-{4-[25-(2,4-dinitroanilino)-2,5,8,11,14,17,20,23-octaoxapentacosan-1-yl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-L-glutamic acid","C37 H58 N8 O19","O=C(O)C(CCC(=O)O)NC(=O)NC(CCCCn1cc(nn1)COCCOCCOCCOCCOCCOCCOCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C37H58N8O19/c46-34(47)7-6-32(36(50)51)40-37(52)39-31(35(48)49)3-1-2-9-43-26-28(41-42-43)27-64-24-23-63-22-21-62-20-19-61-18-17-60-16-15-59-14-13-58-12-11-57-10-8-38-30-5-4-29(44(53)54)25-33(30)45(55)56/h4-5,25-26,31-32,38H,1-3,6-24,27H2,(H,46,47)(H,48,49)(H,50,51)(H2,39,40,52)/t31-,32-/m0/s1","","2010-05-14","2026-04-04","N-{[(1S)-1-carboxy-5-{4-[25-(2,4-dinitroanilino)-2,5,8,11,14,17,20,23-octaoxapentacosan-1-yl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-L-glutamic acid",""],["SWM","2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide","C9 H5 Br F2 N4 O S","FC(F)(Br)C(=O)Nc1sc(nn1)c2ccncc2;c1cnccc1c2nnc(s2)NC(=O)C(F)(F)Br","InChI=1S/C9H5BrF2N4OS/c10-9(11,12)7(17)14-8-16-15-6(18-8)5-1-3-13-4-2-5/h1-4H,(H,14,16,17)","","2022-12-19","2023-07-28","2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide","2023-08-02"],["AR9","(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide","C24 H45 N3 O4","O=C(NCCCC)C(C)CC(O)C1NC(=O)C(NC(=O)CCCCCCCC(C)C1)C;CCCCNC(=O)[CH](C)C[CH](O)[CH]1C[CH](C)CCCCCCCC(=O)N[CH](C)C(=O)N1;CCCCNC(=O)C(C)CC(C1CC(CCCCCCCC(=O)NC(C(=O)N1)C)C)O","InChI=1S/C24H45N3O4/c1-5-6-14-25-23(30)18(3)16-21(28)20-15-17(2)12-10-8-7-9-11-13-22(29)26-19(4)24(31)27-20/h17-21,28H,5-16H2,1-4H3,(H,25,30)(H,26,29)(H,27,31)/t17-,18-,19+,20+,21+/m1/s1","(2R,4S)-N-Butyl-4-((2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4diaza-cyclopentadec-5-yl)-4-hydroxy-2-methyl-butyramide","2008-07-21","2021-03-13","(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide",""],["SWN","3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C22 H23 N5","C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3;c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5","InChI=1S/C22H23N5/c1-2-4-16(5-3-1)10-18-13-25-22-21(18)11-17(12-24-22)19-14-26-27(15-19)20-6-8-23-9-7-20/h1-5,11-15,20,23H,6-10H2,(H,24,25)","","2020-12-02","2020-12-04","3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2020-12-09"],["ARA","alpha-L-arabinopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1","alpha-L-arabinose; L-arabinose; arabinose","1999-07-08","2024-09-27","alpha-L-arabinopyranose",""],["SWO","6-nonylpyridine-2,4-diol","C14 H23 N O2","CCCCCCCCCc1cc(O)cc(O)n1;CCCCCCCCCc1cc(cc(n1)O)O","InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)","","2023-04-14","2023-06-16","6-nonylpyridine-2,4-diol","2023-06-21"],["ARB","beta-L-arabinopyranose","C5 H10 O5","OC1C(O)COC(O)C1O;O[CH]1CO[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1","beta-L-arabinose; L-arabinose; arabinose","1999-07-08","2020-07-17","beta-L-arabinopyranose",""],["SWP","methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate","C31 H29 Cl F2 N4 O4","COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N3CCC(=CC3=O)c4c(F)ccc(Cl)c4F)c5cc2ccn5)c1;CC1CCCC(c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F","InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1","","2020-03-12","2020-06-05","methyl ~{N}-[(10~{R},14~{S})-14-[4-[3-chloranyl-2,6-bis(fluoranyl)phenyl]-6-oxidanylidene-2,3-dihydropyridin-1-yl]-10-methyl-9-oxidanylidene-8,16-diazatricyclo[13.3.1.0^{2,7}]nonadeca-1(18),2,4,6,15(19),16-hexaen-5-yl]carbamate","2020-06-10"],["ARC","3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL","C20 H42 O","OCCC(CCCC(CCCC(C)CCCC(C)C)C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO;CC(C)CCCC(C)CCCC(C)CCCC(C)CCO","InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1","","1999-07-08","2011-06-04","(3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol",""],["ARD","C15-(R)-METHYLTHIENYL RAPAMYCIN","C55 H81 N O12 S","O=C2C(=O)C5(OC(CC(c1sc(cc1)C)C(=CC=CC=CC(C)CC(C(=O)C(OC)C(O)C(=CC(C(=O)CC(OC(=O)C3N2CCCC3)C(C)CC4CCC(O)C(OC)C4)C)C)C)C)CCC5C)O;CO[CH]1C[CH](CC[CH]1O)C[CH](C)[CH]2CC(=O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)c5sc(C)cc5;Cc1ccc(s1)C2CC3CCC(C(O3)(C(=O)C(=O)N4CCCCC4C(=O)OC(CC(=O)C(C=C(C(C(C(=O)C(CC(C=CC=CC=C2C)C)C)OC)O)C)C)C(C)CC5CCC(C(C5)OC)O)O)C","InChI=1S/C55H81NO12S/c1-32-16-12-11-13-17-33(2)42(48-24-20-39(8)69-48)30-41-22-19-38(7)55(64,68-41)52(61)53(62)56-25-15-14-18-43(56)54(63)67-46(35(4)28-40-21-23-44(57)47(29-40)65-9)31-45(58)34(3)27-37(6)50(60)51(66-10)49(59)36(5)26-32/h11-13,16-17,20,24,27,32,34-36,38,40-44,46-47,50-51,57,60,64H,14-15,18-19,21-23,25-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,40+,41+,42-,43+,44-,46+,47-,50-,51+,55-/m1/s1","RAPAMYCIN IMMUNOSUPPRESSANT DRUG","1999-07-08","2021-03-01","(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21R,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10-methoxy-6,8,12,14,20,26-hexamethyl-21-(5-methylthiophen-2-yl)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",""],["SWQ","6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","C12 H10 N4 O S2","CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1;CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2","InChI=1S/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)","","2020-12-02","2022-01-07","6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2022-01-12"],["SWR","N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazin-1-yl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea","C27 H25 Cl2 N7 O7","O=[N+]([O-])c1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1;CC1(C)[CH](N(O)C(=O)Nc2ccc(Cl)cc2)N(C(=O)N1CC(=O)NN=CC=Cc3oc(cc3)[N+]([O-])=O)c4ccc(Cl)cc4;CC1(C(N(C(=O)N1CC(=O)NN=CC=Cc2ccc(o2)[N+](=O)[O-])c3ccc(cc3)Cl)N(C(=O)Nc4ccc(cc4)Cl)O)C","InChI=1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40H,16H2,1-2H3,(H,31,38)(H,32,37)/b4-3+,30-15+/t24-/m1/s1","Eeyarestatin I","2022-07-13","2026-04-05","N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazin-1-yl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea","2023-05-24"],["ARE","ACARBOSE DERIVED PENTASACCHARIDE","C31 H53 N O23","O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]3C=C(CO)[CH](O[CH]4O[CH](CO)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)NC3C=C(C(C(C3O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)CO","InChI=1S/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1","4-O-(4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HE\nXOPYRANOSYL)HEXOPYRANOSE","2004-11-18","2020-06-17","4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose",""],["SWS","7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide","C21 H28 N4 O2","CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4;CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O","InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17-","","2020-03-13","2020-10-30","7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide","2020-11-04"],["ARF","FORMAMIDE","C H3 N O","O=CN;NC=O;C(=O)N","InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)","","2006-09-21","2024-09-27","formamide",""],["SWT","6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","C12 H10 N4 O S","Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1;Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2","InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)","","2020-12-02","2022-01-07","6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2022-01-12"],["ARG","ARGININE","C6 H15 N4 O2","O=C(O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C(O)=O;C(CC(C(=O)O)N)CNC(=[NH2+])N","InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1","","1999-07-08","2024-09-27","amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium",""],["SWU","(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide","C11 H11 N O4 S","CC1=CC(=O)Oc2cc(C[S](N)(=O)=O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)CS(=O)(=O)N","InChI=1S/C11H11NO4S/c1-7-4-11(13)16-10-5-8(2-3-9(7)10)6-17(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)","","2022-12-20","2023-03-03","(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide","2023-03-08"],["ARH","3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE","C19 H18 N2 O3","O=C3c2n(c(c1ccccc1)c(c2C(=O)C(=C3)N4C(C4)C)CO)C;C[CH]1CN1C2=CC(=O)c3n(C)c(c4ccccc4)c(CO)c3C2=O;CC1CN1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O","InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21+/m1/s1","ARH019","2001-06-08","2021-03-01","3-(hydroxymethyl)-1-methyl-5-[(2R)-2-methylaziridin-1-yl]-2-phenyl-1H-indole-4,7-dione",""],["S","SULFUR ATOM","S","[S];S","InChI=1/H2S/h1H2","","1999-07-08","2008-10-14","sulfane",""],["ARI","(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate","C8 H14 O4","O=C(OC1C(OC(O)CC1)C)C;C[CH]1O[CH](O)CC[CH]1OC(C)=O;CC1C(CCC(O1)O)OC(=O)C","InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1","[O4]-ACETOXY-2,3-DIDEOXYFUCOSE","1999-07-08","2020-07-17","(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate",""],["SWV","~{N}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide","C17 H13 F N4 O3 S","Fc1ccccc1N[S](=O)(=O)c2cccc(NC(=O)c3cnccn3)c2;c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F","InChI=1S/C17H13FN4O3S/c18-14-6-1-2-7-15(14)22-26(24,25)13-5-3-4-12(10-13)21-17(23)16-11-19-8-9-20-16/h1-11,22H,(H,21,23)","","2020-03-13","2021-04-02","~{N}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide","2021-04-07"],["ARJ","(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone","C11 H13 N5 O3","O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO;Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O;c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)CO)N","InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1","3'-keto-aristeromycin","2008-03-05","2021-03-01","(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone",""],["SWW","(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid","C5 H11 N O3 S","N[CH](CSCCO)C(O)=O;C(CSCC(C(=O)O)N)O","InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1","S-(2-hydroxyethyl)-D-cysteine","2020-12-02","2024-09-27","(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid","2022-01-12"],["ARK","N-({(1S)-1-carboxy-5-[4-({2-[2-(2,4-dinitroanilino)ethoxy]ethoxy}methyl)-1H-1,2,3-triazol-1-yl]pentyl}carbamoyl)-L-glutamic acid","C25 H34 N8 O13","O=C(O)C(CCC(=O)O)NC(=O)NC(CCCCn1cc(nn1)COCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCn1cc(COCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCOCCOCc2cn(nn2)CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C25H34N8O13/c34-22(35)7-6-20(24(38)39)28-25(40)27-19(23(36)37)3-1-2-9-31-14-16(29-30-31)15-46-12-11-45-10-8-26-18-5-4-17(32(41)42)13-21(18)33(43)44/h4-5,13-14,19-20,26H,1-3,6-12,15H2,(H,34,35)(H,36,37)(H,38,39)(H2,27,28,40)/t19-,20-/m0/s1","","2010-05-14","2026-04-04","N-({(1S)-1-carboxy-5-[4-({2-[2-(2,4-dinitroanilino)ethoxy]ethoxy}methyl)-1H-1,2,3-triazol-1-yl]pentyl}carbamoyl)-L-glutamic acid",""],["ARL","7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID","C23 H32 O2","O=C(O)C=C(C=CC=C(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C)C;CC(C=CC=C(C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=CC(O)=O;CC(=CC(=O)O)C=CC=C(C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C","InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+","","2003-01-29","2011-06-04","(2E,4E,6E)-7-(3,5-di-tert-butylphenyl)-3-methylocta-2,4,6-trienoic acid",""],["SWX","(4-pyrimidin-5-ylphenyl)methanol","C11 H10 N2 O","OCc1ccc(cc1)c2cncnc2;c1cc(ccc1CO)c2cncnc2","InChI=1S/C11H10N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2","","2016-05-05","2016-07-29","(4-pyrimidin-5-ylphenyl)methanol","2016-08-03"],["SWY","2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione","C29 H23 N5 O3 S","O=C2c1c6c(ccc1)cccc6C(=O)N2CCCSc5nnc(c3ccncc3)n5c4ccc(OC)cc4;COc1ccc(cc1)n2c(SCCCN3C(=O)c4cccc5cccc(C3=O)c45)nnc2c6ccncc6;COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6","InChI=1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3","WIKI4","2013-03-21","2020-06-17","2-(3-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","2013-06-19"],["ARM","DEOXY-METHYL-ARGININE","C7 H16 N4 O","O=C(C)C(N)CCCNC(=[N@H])N;CC(=O)[CH](N)CCCNC(N)=N;CC(=O)C(CCCNC(=N)N)N","InChI=1S/C7H16N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m0/s1","","1999-07-08","2024-09-27","1-[(4S)-4-amino-5-oxohexyl]guanidine",""],["SX","SULFUR OXIDE","O S","O=S;O=S","InChI=1S/OS/c1-2","","1999-07-08","2024-09-27","",""],["ARN","1-IMINO-5-PENTANONE","C5 H9 N O","O=CCCCC=[N@H];N=CCCCC=O;C(CC=N)CC=O","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2","","1999-09-22","2024-09-27","(5E)-5-iminopentanal",""],["SX0","(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)","C15 H20 Br N5 O5 S","O=C(O)C(N)CCSCC3OC(n2cc(Br)c1c(ncnc12)N)C(O)C3O;N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(Br)c3c(N)ncnc23)C(O)=O;c1c(c2c(ncnc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)Br","InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1","","2011-07-20","2011-07-22","(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",""],["ARO","C-GAMMA-HYDROXY ARGININE","C6 H15 N4 O3","O=C(O)C(N)CC(O)CNC(N)=[NH2+];N[CH](C[CH](O)CNC(N)=[NH2+])C(O)=O;C(C(CNC(=[NH2+])N)O)C(C(=O)O)N","InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/p+1/t3-,4+/m1/s1","","2000-09-05","2024-09-27","amino{[(2R,4S)-4-amino-2,5-dihydroxy-5-oxopentyl]amino}methaniminium",""],["SX1","2-amino-5-bromobenzoic acid","C7 H6 Br N O2","Brc1cc(C(=O)O)c(N)cc1;Nc1ccc(Br)cc1C(O)=O;c1cc(c(cc1Br)C(=O)O)N","InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)","","2008-03-13","2011-06-04","2-amino-5-bromobenzoic acid",""],["ARP","9-HYDROXYPROPYLADENINE, R-ISOMER","C8 H11 N5 O","n1c(c2ncn(c2nc1)CC(O)C)N;C[CH](O)Cn1cnc2c(N)ncnc12;CC(Cn1cnc2c1ncnc2N)O","InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1","","2000-05-24","2011-06-04","(2R)-1-(6-amino-9H-purin-9-yl)propan-2-ol",""],["SX2","4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid","C9 H9 Br N2 O3","O=C(Nc1ncc(Br)cc1)CCC(=O)O;OC(=O)CCC(=O)Nc1ccc(Br)cn1;c1cc(ncc1Br)NC(=O)CCC(=O)O","InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)","","2008-03-13","2011-06-04","4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid",""],["ARQ","BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM","C30 H38 N3 O4","O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)C[N+](NC(=O)c2ccccc2)(Cc3ccccc3)C;CC(C)(C)OC(=O)N[CH](Cc1ccccc1)[CH](O)C[N+](C)(Cc2ccccc2)NC(=O)c3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)C(C[N+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O","InChI=1S/C30H37N3O4/c1-30(2,3)37-29(36)31-26(20-23-14-8-5-9-15-23)27(34)22-33(4,21-24-16-10-6-11-17-24)32-28(35)25-18-12-7-13-19-25/h5-19,26-27,34H,20-22H2,1-4H3,(H-,31,32,35,36)/p+1/t26-,27-,33+/m0/s1","","1999-07-08","2011-06-04","(1R)-1-benzyl-1-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-1-methyl-2-(phenylcarbonyl)diazanium",""],["SX3","4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline","C14 H19 Br N2 O","O=C(c1cc(Br)ccc1N)N2CC(CC(C)C2)C;C[CH]1C[CH](C)CN(C1)C(=O)c2cc(Br)ccc2N;CC1CC(CN(C1)C(=O)c2cc(ccc2N)Br)C","InChI=1S/C14H19BrN2O/c1-9-5-10(2)8-17(7-9)14(18)12-6-11(15)3-4-13(12)16/h3-4,6,9-10H,5,7-8,16H2,1-2H3/t9-,10+","","2008-03-13","2011-06-04","4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline",""],["ARR","N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE","C20 H20 Cl N3 S","Clc1cccc(c1)CNCCc3ccc(NC(=[N@H])c2sccc2)cc3;Clc1cccc(CNCCc2ccc(NC(=N)c3sccc3)cc2)c1;[H]N=C(c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)Cl","InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)","N-(4-(2-((3-CHLOROPHENYLMETHYL)AMINO)ETHYL)PHENYL)-2-THIOPHECARBOXAMIDINE","2004-02-18","2021-03-01","N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide",""],["SX4","4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline","C18 H18 Br Cl N2 O","O=C(c1cc(Br)ccc1N)N2CCCC2Cc3ccccc3Cl;Nc1ccc(Br)cc1C(=O)N2CCC[CH]2Cc3ccccc3Cl;c1ccc(c(c1)CC2CCCN2C(=O)c3cc(ccc3N)Br)Cl","InChI=1S/C18H18BrClN2O/c19-13-7-8-17(21)15(11-13)18(23)22-9-3-5-14(22)10-12-4-1-2-6-16(12)20/h1-2,4,6-8,11,14H,3,5,9-10,21H2/t14-/m1/s1","","2008-03-13","2011-06-04","4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline",""],["ARS","ARSENIC","As","[AsH3];[As];[As]","InChI=1S/AsH3/h1H3","","1999-07-08","2011-06-04","arsane",""],["ART","ARSENATE","As O4","[O-][As]([O-])([O-])=O;[O-][As]([O-])([O-])=O;[O-][As](=O)([O-])[O-]","InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3","","2004-06-04","2011-06-04","arsenate",""],["SX5","4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid","C18 H23 Br N2 O4","O=C(c1cc(Br)ccc1NC(=O)CCC(=O)O)N2CC(CC(C)C2)C;C[CH]1C[CH](C)CN(C1)C(=O)c2cc(Br)ccc2NC(=O)CCC(O)=O;CC1CC(CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C","InChI=1S/C18H23BrN2O4/c1-11-7-12(2)10-21(9-11)18(25)14-8-13(19)3-4-15(14)20-16(22)5-6-17(23)24/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,20,22)(H,23,24)/t11-,12+","","2008-03-13","2011-06-04","4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid",""],["SX6","N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide","C22 H30 Br N3 O4","O=C(N1CCOCC1)CCC(=O)Nc3ccc(Br)cc3C(=O)N2CC(C)CC(C)C2;C[CH]1C[CH](C)CN(C1)C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N3CCOCC3;CC1CC(CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C","InChI=1S/C22H30BrN3O4/c1-15-11-16(2)14-26(13-15)22(29)18-12-17(23)3-4-19(18)24-20(27)5-6-21(28)25-7-9-30-10-8-25/h3-4,12,15-16H,5-11,13-14H2,1-2H3,(H,24,27)/t15-,16+","","2008-03-13","2011-06-04","N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide",""],["ARU","5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine","C15 H24 Br2 N5 O12 P3","CCN(CC)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(Br)(Br)[P](O)(O)=O)[CH](O)[CH]3O;CCN(CC)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)O","InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1","ARL 67156","2009-12-07","2020-06-17","[dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid",""],["SX7","2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide","C21 H22 N6 O","O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccnn3CC)ccc4N;CCn1nccc1c2c[nH]c3ncc(cc23)c4ccc(N)c(c4)C(=O)N(C)C;CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N","InChI=1S/C21H22N6O/c1-4-27-19(7-8-25-27)17-12-24-20-15(17)10-14(11-23-20)13-5-6-18(22)16(9-13)21(28)26(2)3/h5-12H,4,22H2,1-3H3,(H,23,24)","2-Amino-5-[3-(2-ethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide","2008-06-25","2020-06-17","2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide",""],["ARV","5-N-ALLYL-ARGININE","C9 H19 N4 O2","O=C(O)C(N)CCCNC(=[NH+]/CC=C)N;N[CH](CCCNC(N)=[NH+]CC=C)C(O)=O;C=CC[NH+]=C(N)NCCCC(C(=O)O)N","InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1","","2001-10-22","2011-06-04","N-[(1Z)-amino{[(4S)-4-amino-4-carboxybutyl]amino}methylidene]prop-2-en-1-aminium",""],["SX8","6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline","C18 H13 N7 S","n3c(ccc4nnc(Sc2cc1cccnc1cc2)n34)c5cn(nc5)C;Cn1cc(cn1)c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2;Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5","InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3","","2008-07-09","2011-06-04","6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline",""],["ARW","methyl beta-D-arabinopyranoside","C6 H12 O5","OC1C(O)C(O)COC1OC;CO[CH]1OC[CH](O)[CH](O)[CH]1O;COC1C(C(C(CO1)O)O)O","InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1","methyl beta-D-arabinoside; methyl D-arabinoside; methyl arabinoside","2005-04-12","2020-07-17","methyl beta-D-arabinopyranoside",""],["ARX","(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide","C28 H47 N15 O7","O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCNC(=[N@H])N)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(N)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)O)O)N","InChI=1S/C28H47N15O7/c29-21-17-23(39-12-38-21)43(13-40-17)26-19(46)18(45)20(50-26)25(49)35-9-3-1-2-8-16(44)41-15(7-5-11-37-28(33)34)24(48)42-14(22(30)47)6-4-10-36-27(31)32/h12-15,18-20,26,45-46H,1-11H2,(H2,30,47)(H,35,49)(H,41,44)(H,42,48)(H2,29,38,39)(H4,31,32,36)(H4,33,34,37)/t14-,15-,18+,19-,20+,26-/m1/s1","ARC-1034","2008-01-30","2021-03-01","(2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino}-5-carbamimidamido-1-oxopentan-2-yl]amino}-6-oxohexyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)",""],["SX9","1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one","C15 H20 N2 O","O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1;CC(=O)N1CCN(CC1)C=CCc2ccccc2;CC(=O)N1CCN(CC1)C=CCc2ccccc2","InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+","","2023-08-28","2023-11-24","1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one","2023-11-29"],["SXA","THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER","C13 H25 N2 O8 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)C;CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m1/s1","","2009-03-17","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] ethanethioate",""],["ARZ","(3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide","C13 H18 N4 O3 S2","O=S(=O)(c1nnc(s1)NC(=O)C24CC3CC(C2)CC(C3)C4)N;N[S](=O)(=O)c1sc(NC(=O)[C]23C[CH]4C[CH]([CH2]C([CH2]4)C2)C3)nn1;C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N","InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-","5-(1-adamantylcarboxamido)-1,3,4-thiadiazole-2-sulfonamide","2010-04-13","2021-03-13","(3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["SXC","bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+)","C21 H27 Br N O5 P Pd S2","[O-][N+](=O)c4ccc(OP(=O)(OCC)CCCc1cc2c3c(c1)C[S+](C)[Pd]3(Br)[S+](C2)C)cc4;CCO[P](=O)(CCCc1cc2C[S+](C)[Pd]3(Br)[S+](C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O;CCOP(=O)(CCCc1cc2c3c(c1)C[S+]([Pd]3([S+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-]","InChI=1S/C21H27NO5PS2.BrH.Pd/c1-4-26-28(25,27-21-9-7-20(8-10-21)22(23)24)11-5-6-17-12-18(15-29-2)14-19(13-17)16-30-3;;/h7-10,12-13H,4-6,11,15-16H2,1-3H3;1H;/q;;+3/p-1/t28-;;/m1../s1","ethyl 4-nitrophenyl P-[3-(4-(bromopallado)-1,3-bis[(methylthio)methyl]-phenyl)propyl]phosphonate","2008-10-08","2024-09-27","bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+)",""],["AS","2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE","C10 H14 N5 O5 P S","S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=S)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=S)(O)O)O)N","InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22)/t5-,6+,7+/m0/s1","","1999-07-08","2025-07-09","2'-deoxy-5'-O-thiophosphonoadenosine",""],["SXD","N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C17 H31 N2 O9 P S","O=C(NCCSCCC(=O)CC(=O)C)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C17H31N2O9PS/c1-12(20)10-13(21)5-8-30-9-7-18-14(22)4-6-19-16(24)15(23)17(2,3)11-28-29(25,26)27/h15,23H,4-11H2,1-3H3,(H,18,22)(H,19,24)(H2,25,26,27)/t15-/m1/s1","","2009-04-02","2024-09-27","N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide",""],["AS0","4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME","C28 H35 N O4","O=C5C=C4C(=C3C(c1ccc(C=NO)cc1)CC2(C(CCC2(OC)COC)C3CC4)C)CC5;COC[C]1(CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3[CH](C[C]12C)c5ccc(cc5)C=NO)OC;CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(COC)OC)c5ccc(cc5)C=NO","InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1","","2007-02-14","2011-06-04","4-[(11alpha,13alpha,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime",""],["AS1","ARGININOSUCCINATE","C10 H18 N4 O6","N[CH](CCCN=C(N)N[CH](CC(O)=O)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O","InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1","","2001-03-30","2024-09-23","(2~{S})-2-[[(~{E})-~{N}'-[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]butanedioic acid",""],["SXE","O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]PHOSPHORYL}-L-SERINE","C8 H19 N2 O5 P","O=P(OCC)(OCC(N)C(=O)O)NC(C)C;CCO[P](=O)(NC(C)C)OC[CH](N)C(O)=O;CCOP(=O)(NC(C)C)OCC(C(=O)O)N","InChI=1S/C8H19N2O5P/c1-4-14-16(13,10-6(2)3)15-5-7(9)8(11)12/h6-7H,4-5,9H2,1-3H3,(H,10,13)(H,11,12)/t7-,16-/m0/s1","","2007-02-13","2024-09-27","O-{(S)-ethoxy[(1-methylethyl)amino]phosphoryl}-L-serine",""],["SXF","[(1~{S},3~{R},4~{S},5~{R},6~{R},8~{R},10~{S},23~{R},24~{R},25~{R},26~{R})-5-acetyloxy-6-methyl-4,26-bis(oxidanyl)-17,20-bis(oxidanylidene)-10-pentyl-24-[(~{E})-3-phenylprop-2-enoyl]oxy-2,7,9,21,27-pentaoxatricyclo[21.3.1.0^{3,8}]heptacosan-25-yl] (~{E})-2-methylbut-2-enoate","C44 H62 O15","CC=C(/C)C(=O)OC1C(OC(=O)/C=C/c2ccccc2)C2COC(=O)CCC(=O)CCCCCCC(CCCCC)OC3OC(C)C(OC(C)=O)C(O)C3OC(O2)C1O;CCCCC[CH]1CCCCCCC(=O)CCC(=O)OC[CH]2O[CH](O[CH]3[CH](O)[CH](OC(C)=O)[CH](C)O[CH]3O1)[CH](O)[CH](OC(=O)C(C)=CC)[CH]2OC(=O)C=Cc4ccccc4;CCCCCC1CCCCCCC(=O)CCC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3O1)C)OC(=O)C)O)O)OC(=O)C(=CC)C)OC(=O)C=Cc4ccccc4","InChI=1S/C44H62O15/c1-6-8-12-20-32-21-16-10-9-15-19-31(46)23-25-34(47)52-26-33-39(57-35(48)24-22-30-17-13-11-14-18-30)40(58-42(51)27(3)7-2)37(50)43(56-33)59-41-36(49)38(54-29(5)45)28(4)53-44(41)55-32/h7,11,13-14,17-18,22,24,28,32-33,36-41,43-44,49-50H,6,8-10,12,15-16,19-21,23,25-26H2,1-5H3/b24-22+,27-7+/t28-,32+,33-,36+,37-,38+,39-,40-,41-,43+,44+/m1/s1","Ipomoeassin F","2022-07-13","2023-05-19","(1S,3R,4S,5R,6R,8R,10S,23R,24R,25R,26R)-5-(acetyloxy)-4,26-dihydroxy-6-methyl-17,20-dioxo-10-pentyl-24-{[(2E)-3-phenylprop-2-enoyl]oxy}-2,7,9,21,27-pentaoxatricyclo[21.3.1.0~3,8~]heptacosan-25-yl (2E)-2-methylbut-2-enoate (non-preferred name)","2023-05-24"],["AS2","(2R)-2-AMINO-4-OXOBUTANOIC ACID","C4 H7 N O3","O=CCC(N)C(=O)O;N[CH](CC=O)C(O)=O;C(C=O)C(C(=O)O)N","InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1","ASPARTATE SEMIALDEHYDE","2003-07-10","2024-09-27","(2R)-2-amino-4-oxobutanoic acid",""],["SXG","2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide","C12 H3 F9 N2 O4 S2","N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F;c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F","InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)","","2019-07-26","2020-04-10","2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide","2020-04-15"],["AS3","4-METHYL-6-PROPYLPYRIDIN-2-AMINE","C9 H14 N2","n1c(cc(cc1N)C)CCC;CCCc1cc(C)cc(N)n1;CCCc1cc(cc(n1)N)C","InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)","","2006-01-11","2011-06-04","4-methyl-6-propylpyridin-2-amine",""],["SXH","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate","C17 H33 N2 O8 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCCCC;CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m1/s1","","2009-04-01","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",""],["AS4","ALDOSTERONE","C21 H28 O5","O=C(CO)C3C2(C=O)CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C;C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C[CH](O)[CH]23)C=O;CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O","InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1","(11BETA)-11,21-DIHYDROXY-3,20-DIOXOPREGN-4-EN-18-AL","2005-07-14","2021-03-13","(11alpha,14beta,17alpha)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al",""],["SXI","(3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid","C17 H20 Cl N5 O3","O=C(O)C4NCC3C(CC(Oc1c(c(Cl)ccc1)c2nnnn2)CC3)C4;OC(=O)[CH]1C[CH]2C[CH](CC[CH]2CN1)Oc3cccc(Cl)c3c4[nH]nnn4;c1cc(c(c(c1)Cl)c2[nH]nnn2)OC3CCC4CNC(CC4C3)C(=O)O","InChI=1S/C17H20ClN5O3/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,13-/m0/s1","","2013-09-11","2014-05-02","(3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid","2014-05-07"],["AS6","{4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL","C26 H33 N5 O4 S","O=S(=O)(c3cc(cc(Nc2nc(N(c1cc(ccc1C)CO)C(C)C)ccn2)c3)N4CCOCC4)C;CC(C)N(c1ccnc(Nc2cc(cc(c2)[S](C)(=O)=O)N3CCOCC3)n1)c4cc(CO)ccc4C;Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO","InChI=1S/C26H33N5O4S/c1-18(2)31(24-13-20(17-32)6-5-19(24)3)25-7-8-27-26(29-25)28-21-14-22(30-9-11-35-12-10-30)16-23(15-21)36(4,33)34/h5-8,13-16,18,32H,9-12,17H2,1-4H3,(H,27,28,29)","","2010-10-25","2011-06-04","{4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol",""],["SXJ","(13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid","C31 H43 N O4","O=C(O)C12CCC3(C)C4(C(=CC(=O)C3C2CC(C)(C)CC1)C5(CC(C#N)=C(O)C(C5CC4)(C)C)C)C;CC1(C)CC[C]2(CC[C]3(C)[CH]([CH]2C1)C(=O)C=C4[C]5(C)CC(=C(O)C(C)(C)[CH]5CC[C]34C)C#N)C(O)=O;CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(CC(=C(C5(C)C)O)C#N)C)C)C)C(=O)O)C","InChI=1S/C31H43NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14,19,21,23,34H,8-13,15-16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1","","2014-04-09","2025-05-29","(13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid","2014-06-18"],["AS7","N4-(4-cyanobenzyl)-L-asparagine","C12 H13 N3 O3","O=C(O)C(N)CC(=O)NCc1ccc(C#N)cc1;N[CH](CC(=O)NCc1ccc(cc1)C#N)C(O)=O;c1cc(ccc1CNC(=O)CC(C(=O)O)N)C#N","InChI=1S/C12H13N3O3/c13-6-8-1-3-9(4-2-8)7-15-11(16)5-10(14)12(17)18/h1-4,10H,5,7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1","","2011-10-26","2012-08-24","N-(4-cyanobenzyl)-L-asparagine","2012-08-24"],["SXK","[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid","C14 H10 F2 O3","Fc2ccc(c1ccc(OCC(=O)O)cc1)c(F)c2;OC(=O)COc1ccc(cc1)c2ccc(F)cc2F;c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O","InChI=1S/C14H10F2O3/c15-10-3-6-12(13(16)7-10)9-1-4-11(5-2-9)19-8-14(17)18/h1-7H,8H2,(H,17,18)","","2010-08-05","2011-06-04","[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid",""],["AS8","ACETYLSULFATE","C2 H4 O5 S","CC(=O)O[S](O)(=O)=O;CC(=O)OS(=O)(=O)O","InChI=1S/C2H4O5S/c1-2(3)7-8(4,5)6/h1H3,(H,4,5,6)","SULFO ETHANOATE","2010-11-17","2021-03-01","sulfo ethanoate",""],["SXL","bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide","C11 H9 F2 N O4 S","CC1=CC(=O)Oc2cc(ccc12)C(F)(F)[S](N)(=O)=O;CC1=CC(=O)Oc2c1ccc(c2)C(F)(F)S(=O)(=O)N","InChI=1S/C11H9F2NO4S/c1-6-4-10(15)18-9-5-7(2-3-8(6)9)11(12,13)19(14,16)17/h2-5H,1H3,(H2,14,16,17)","","2022-12-20","2023-03-03","bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide","2023-03-08"],["AS9","N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID","C5 H10 N O6 P","O=C(O)C(NP(=O)(O)C)CC(=O)O;C[P](O)(=O)N[CH](CC(O)=O)C(O)=O;CP(=O)(NC(CC(=O)O)C(=O)O)O","InChI=1S/C5H10NO6P/c1-13(11,12)6-3(5(9)10)2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)(H2,6,11,12)/t3-/m0/s1","N-PHOSPHONOMETHYL-L-ASPARTIC ACID; (2S)-2-(HYDROPEROXY(METHOXY)PHOSPHORYLAMINO)SUCCINIC ACID","2006-12-08","2020-06-17","N-[(R)-hydroxy(methyl)phosphoryl]-L-aspartic acid",""],["ASA","ASPARTIC ALDEHYDE","C4 H7 N O3","O=CC(N)CC(=O)O;N[CH](CC(O)=O)C=O;C(C(C=O)N)C(=O)O","InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1","","1999-07-08","2024-09-27","(3S)-3-amino-4-oxobutanoic acid",""],["SXM","3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid","C14 H25 N2 O10 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(=O)O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O","InChI=1S/C14H25N2O10PS/c1-14(2,8-26-27(23,24)25)12(21)13(22)16-4-3-9(17)15-5-6-28-11(20)7-10(18)19/h12,21H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)(H2,23,24,25)/t12-/m1/s1","THIOMALONIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER","2009-03-30","2024-09-27","3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid",""],["SXN","Salinixanthin","C61 H92 O9","O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)C(OC1OC(C(O)C(O)C1O)COC(=O)CCCCCCCCCCCC(C)C)(C)C)C)C)C)C)C)C(C)(C)CC2)C;CC(C)CCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)[CH](O)C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)[CH](O)[CH](O)[CH]1O;CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)OC2C(C(C(C(O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)C)C","InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54-,56+,57-,58+,59-/m0/s1","(3'E)-2'-hydroxy-4-oxo-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-yl 6-O-(13-methyltetradecanoyl)-alpha-L-idopyranoside","2008-09-22","2021-03-13","(3'E)-2'-hydroxy-4-oxo-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-yl 6-O-(13-methyltetradecanoyl)-alpha-L-idopyranoside",""],["ASB","ASPARTIC ACID-4-CARBOXYMETHYL ESTER","C6 H9 N O6","O=C(OCC(=O)O)CC(C(=O)O)N;N[CH](CC(=O)OCC(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)OCC(=O)O","InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name)",""],["SXO","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate","C19 H37 N2 O8 P S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCCCCCC;CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m1/s1","","2009-04-01","2024-09-27","S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",""],["ASC","ASCORBIC ACID","C6 H8 O6","O=C1OC(C(O)=C1O)C(O)CO;OC[CH](O)[CH]1OC(=O)C(=C1O)O;C(C(C1C(=C(C(=O)O1)O)O)O)O","InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1","Vitamin C","1999-07-08","2020-07-17","(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)",""],["SXP","2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid","C25 H21 Cl3 F2 N6 O6","Cc1nn(c(n1)[CH]2O[CH](CO)[CH](O)[CH]([CH]2OCC(O)=O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)c5cc(Cl)ccc5Cl;Cc1nc(n(n1)c2cc(ccc2Cl)Cl)C3C(C(C(C(O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)Cl)F)OCC(=O)O","InChI=1S/C25H21Cl3F2N6O6/c1-10-31-25(36(33-10)17-6-12(26)2-3-13(17)27)24-23(41-9-19(38)39)21(22(40)18(8-37)42-24)35-7-16(32-34-35)11-4-14(29)20(28)15(30)5-11/h2-7,18,21-24,37,40H,8-9H2,1H3,(H,38,39)/t18-,21+,22+,23-,24-/m1/s1","","2023-04-14","2024-03-22","2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid","2024-03-27"],["ASD","4-ANDROSTENE-3-17-DIONE","C19 H26 O2","O=C3CCC4C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C;C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O;CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C","InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1","","2000-02-23","2024-09-27","androst-4-ene-3,17-dione",""],["ASE","N-ACETYL SEROTONIN","C12 H14 N2 O2","O=C(NCCc2c1cc(O)ccc1nc2)C;CC(=O)NCCc1c[nH]c2ccc(O)cc12;CC(=O)NCCc1c[nH]c2c1cc(cc2)O","InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)","","1999-07-08","2011-06-04","N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide",""],["SXQ","3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one","C11 H6 Cl2 N4 O S","Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl;c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl","InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18)","","2020-12-03","2022-01-07","6-(3,4-dichlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one","2022-01-12"],["SXR","N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide","C22 H35 N2 O7 P S","O=C(NCCC(=O)NCCSCCC(=O)CCc1ccccc1)C(O)C(C)(C)COP(O)O;CC(C)(COP(O)O)[CH](O)C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1;CC(C)(COP(O)O)C(C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O","InChI=1S/C22H35N2O7PS/c1-22(2,16-31-32(29)30)20(27)21(28)24-12-10-19(26)23-13-15-33-14-11-18(25)9-8-17-6-4-3-5-7-17/h3-7,20,27,29-30H,8-16H2,1-2H3,(H,23,26)(H,24,28)/t20-/m1/s1","","2014-10-16","2024-09-27","N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide","2015-10-21"],["ASF","3-(BUTYLSULPHONYL)-PROPANOIC ACID","C7 H14 O4 S","O=S(=O)(CCC(=O)O)CCCC;CCCC[S](=O)(=O)CCC(O)=O;CCCCS(=O)(=O)CCC(=O)O","InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9)","","2007-10-24","2011-06-04","3-(butylsulfonyl)propanoic acid",""],["ASG","2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose","C8 H15 N O9 S","O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[S](O)(=O)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)O","InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1","2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE; N-acetyl-4-O-sulfo-beta-D-galactosamine;\n2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactose; 2-acetamido-2-deoxy-4-O-sulfo-D-galactose;\n2-acetamido-2-deoxy-4-O-sulfo-galactose","1999-07-08","2020-07-17","2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose",""],["SXS","6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide","C7 H6 N2 O3 S","O=C2c1ccc(cc1S(=O)(=O)N2)N;Nc1ccc2C(=O)N[S](=O)(=O)c2c1;c1cc2c(cc1N)S(=O)(=O)NC2=O","InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)","","2014-02-10","2014-04-11","6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide","2014-04-16"],["SXU","9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane","C31 H39 N3 O4 S2","Cc1ccc(cc1)S(=O)(=O)N1CCCN(CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1;Cc1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)Cc4ccccc4;Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)c3ccc(cc3)C)Cc4ccccc4","InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3","Cyclotriazadisulfonamide; CADA","2022-07-13","2023-05-19","9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane","2023-05-24"],["ASH","3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine","C21 H19 Cl N6 O","Clc1cnc2n1cc(nc2Nc4ccc(N3CCOCC3)cc4)c5cccnc5;Clc1cnc2n1cc(nc2Nc3ccc(cc3)N4CCOCC4)c5cccnc5;c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl","InChI=1S/C21H19ClN6O/c22-19-13-24-21-20(26-18(14-28(19)21)15-2-1-7-23-12-15)25-16-3-5-17(6-4-16)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,26)","","2010-08-03","2011-06-04","3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine",""],["ASI","L-ISO-ASPARTATE","C4 H6 N O4","[O-]C(=O)C(N)CC(=O)O;N[CH](CC(O)=O)C([O-])=O;C(C(C(=O)[O-])N)C(=O)O","InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1","","2000-01-21","2009-12-23","(2S)-2-amino-3-carboxypropanoate",""],["SXV","N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide","C15 H29 N2 O8 P S","O=C(NCCSCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CC(=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C15H29N2O8PS/c1-11(18)5-8-27-9-7-16-12(19)4-6-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H2,22,23,24)/t13-/m1/s1","","2009-04-01","2024-09-27","N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide",""],["SXX","SINAPINATE","C11 H12 O5","O=C(O)C=Cc1cc(OC)c(O)c(OC)c1;COc1cc(C=CC(O)=O)cc(OC)c1O;COc1cc(cc(c1O)OC)C=CC(=O)O","InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+","","2004-10-30","2011-06-04","(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid",""],["ASJ","(3S)-3-amino-4-hydroxybutanoic acid","C4 H9 N O3","O=C(O)CC(N)CO;N[CH](CO)CC(O)=O;C(C(CO)N)C(=O)O","InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1","","2010-10-07","2024-09-27","(3S)-3-amino-4-hydroxybutanoic acid",""],["SXZ","(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid","C19 H28 N6 O6 S","O=C(O)C(CCSCC1C(C(C(O1)n2c3c(nc2)c(ncn3)N)O)O)NC(=O)CC(C)C;CC(C)CC(=O)N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;CC(C)CC(=O)NC(CCSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(=O)O","InChI=1S/C19H28N6O6S/c1-9(2)5-12(26)24-10(19(29)30)3-4-32-6-11-14(27)15(28)18(31-11)25-8-23-13-16(20)21-7-22-17(13)25/h7-11,14-15,18,27-28H,3-6H2,1-2H3,(H,24,26)(H,29,30)(H2,20,21,22)/t10-,11+,14+,15+,18+/m0/s1","","2017-07-05","2017-08-18","(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid (non-preferred name)","2017-08-23"],["ASK","DEHYDROXYMETHYLASPARTIC ACID","C5 H9 N O3","O=C(C)C(N)CC(=O)O;CC(=O)[CH](N)CC(O)=O;CC(=O)C(CC(=O)O)N","InChI=1S/C5H9NO3/c1-3(7)4(6)2-5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1","ASPARTYLMETHANE","1999-07-08","2011-08-06","(3S)-3-amino-4-oxopentanoic acid",""],["SY0","(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide","C15 H21 N5 O3","CCNC(=O)[CH](C)NC(=O)Cn1cc(cn1)c2c(C)onc2C;CCNC(=O)C(C)NC(=O)Cn1cc(cn1)c2c(noc2C)C","InChI=1S/C15H21N5O3/c1-5-16-15(22)10(3)18-13(21)8-20-7-12(6-17-20)14-9(2)19-23-11(14)4/h6-7,10H,5,8H2,1-4H3,(H,16,22)(H,18,21)/t10-/m0/s1","","2022-12-20","2023-12-22","(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide","2023-12-27"],["ASL","ASPARTIC ACID-4-CARBOXYETHYL ESTER","C7 H11 N O6","O=C(OC(C(=O)O)C)CC(C(=O)O)N;CC(OC(=O)CC(N)C(O)=O)C(O)=O;CC(C(=O)O)OC(=O)CC(C(=O)O)N","InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)","","1999-09-09","2024-09-27","2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)",""],["SY1","2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE","C21 H21 N5 O","N#Cc1ccccc1CN2C(=O)c4c(N=C2N3CCCC(N)C3)cccc4;N[CH]1CCCN(C1)C2=Nc3ccccc3C(=O)N2Cc4ccccc4C#N;c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCCC(C4)N)C#N","InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1","","2007-03-08","2011-06-04","2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4H)-yl}methyl)benzonitrile",""],["ASM","2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTANOIC ACID","C8 H10 N2 O3","O=C(n1cccc1)CC(C(=O)O)N;N[CH](CC(=O)n1cccc1)C(O)=O;c1ccn(c1)C(=O)CC(C(=O)O)N","InChI=1S/C8H10N2O3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h1-4,6H,5,9H2,(H,12,13)/t6-/m0/s1","","2000-12-14","2011-06-04","(2S)-2-amino-4-oxo-4-(1H-pyrrol-1-yl)butanoic acid",""],["SY2","N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine","C24 H41 N5 O6","O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C;CC(C)[CH]1NC(=O)[CH](CCCCNC(=O)C=C1)NC(=O)[CH](NC(=O)N[CH](C(C)C)C(O)=O)C(C)C;CC(C)C1C=CC(=O)NCCCCC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O","InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1","Syringolin B","2009-03-30","2024-09-27","N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine",""],["ASN","ASPARAGINE","C4 H8 N2 O3","O=C(N)CC(N)C(=O)O;N[CH](CC(N)=O)C(O)=O;C(C(C(=O)O)N)C(=O)N","InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1","","1999-07-08","2024-09-27","L-asparagine",""],["SY3","N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide","C13 H11 F N2 O","O=C(Nc1cc(F)ccc1C)c1ccncc1;Cc1ccc(F)cc1NC(=O)c2ccncc2;Cc1ccc(cc1NC(=O)c2ccncc2)F","InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17)","","2023-08-28","2023-11-24","N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide","2023-11-29"],["ASO","1,5-anhydro-D-glucitol","C6 H12 O5","OC1C(OCC(O)C1O)CO;OC[CH]1OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)CO)O)O)O","InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1","1,5-ANHYDROSORBITOL","1999-07-08","2024-09-27","1,5-anhydro-D-glucitol",""],["SY4","~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide","C9 H12 F2 N2 O2 S","CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F;CCCS(=O)(=O)Nc1cc(c(cc1F)F)N","InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3","","2020-03-13","2020-05-29","~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide","2020-06-03"],["ASP","ASPARTIC ACID","C4 H7 N O4","O=C(O)CC(N)C(=O)O;N[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)O","InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1","","1999-07-08","2024-09-27","L-aspartic acid",""],["ASQ","PHOSPHOASPARTATE","C4 H8 N O7 P","O=C(OP(=O)(O)O)CC(C(=O)O)N;N[CH](CC(=O)O[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)OP(=O)(O)O","InChI=1/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1/f/h7,9-10H","","1999-11-11","2009-01-07","4-oxo-O-phosphono-L-homoserine",""],["SY5","2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid","C12 H27 N5 O4","CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CNCCCN;CN(CC(=O)O)NC(=O)CC(CC(CNCCCN)O)N","InChI=1S/C12H27N5O4/c1-17(8-12(20)21)16-11(19)6-9(14)5-10(18)7-15-4-2-3-13/h9-10,15,18H,2-8,13-14H2,1H3,(H,16,19)(H,20,21)/t9-,10-/m1/s1","N6-(3-aminopropyl)-negamycin","2020-12-03","2021-05-21","2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid","2021-05-26"],["SY6","N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide","C20 H18 N6 O3","O[CH]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N;c1cc(ncc1CNC(=O)c2c(c3ccc(nc3cn2)N4CCC(C4)O)O)C#N","InChI=1S/C20H18N6O3/c21-7-13-2-1-12(8-22-13)9-24-20(29)18-19(28)15-3-4-17(25-16(15)10-23-18)26-6-5-14(27)11-26/h1-4,8,10,14,27-28H,5-6,9,11H2,(H,24,29)/t14-/m1/s1","","2023-04-18","2024-04-12","~{N}-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide","2024-04-17"],["ASR","4-AMINOPHENYLARSONIC ACID","C6 H8 As N O3","O=[As](O)(O)c1ccc(N)cc1;Nc1ccc(cc1)[As](O)(O)=O;c1cc(ccc1N)[As](=O)(O)O","InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)","","2002-11-13","2011-06-04","(4-aminophenyl)arsonic acid",""],["SY7","2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine","C28 H30 N6 O4","COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1;COc1cc(ccn1)CN2C(C(NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC","InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1","","2020-03-13","2020-05-29","2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine","2020-06-03"],["ASS","(E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine","C29 H39 N3 O","CC=CN(C)Cc1cc2cc(OCCCC3CCN(CC3)Cc4ccccc4)ccc2n1C;CC=CN(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4","InChI=1S/C29H39N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h4-7,9-10,12-13,16,20-21,24H,8,11,14-15,17-19,22-23H2,1-3H3/b16-4+","ASS234, bound form","2014-03-03","2021-03-13","(E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine","2014-04-02"],["SY8","5-azanylpentan-2-one","C5 H11 N O","CC(=O)CCCN;CC(=O)CCCN","InChI=1S/C5H11NO/c1-5(7)3-2-4-6/h2-4,6H2,1H3","","2020-12-04","2024-09-27","5-azanylpentan-2-one","2021-02-10"],["AST","ARSENITE","As O3","[O-][As]([O-])[O-];[O-][As]([O-])[O-];[O-][As]([O-])[O-]","InChI=1S/AsO3/c2-1(3)4/q-3","","2002-05-06","2011-06-04","arsenite",""],["ASU","4'-THIO-2'4'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE","C5 H11 O6 P S","O=P(OCC1SC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)S1;C1C(C(SC1O)COP(=O)(O)O)O","InChI=1S/C5H11O6PS/c6-3-1-5(7)13-4(3)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1","","2000-03-20","2011-06-04","2-deoxy-5-O-phosphono-4-thio-alpha-D-erythro-pentofuranose",""],["SY9","STRYCHNINE","C21 H22 N2 O2","O=C1C[CH]2OCC=C3C[N]4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1c7ccccc67;c1ccc2c(c1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5","InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1","","2010-11-19","2011-06-04","",""],["SYA","2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid","C8 H5 F3 O3","COc1c(F)c(F)cc(C(O)=O)c1F;COc1c(c(cc(c1F)F)C(=O)O)F","InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)","","2020-03-13","2020-05-29","2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid","2020-06-03"],["ASV","DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE","C13 H21 N3 O6 S","O=C(NC(C=C)C(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS;N[CH](CCCC(=O)N[CH](CS)C(=O)N[CH](C=C)C(O)=O)C(O)=O;C=CC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C13H21N3O6S/c1-2-8(13(21)22)16-11(18)9(6-23)15-10(17)5-3-4-7(14)12(19)20/h2,7-9,23H,1,3-6,14H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8+,9-/m0/s1","","2003-02-03","2011-06-04","N~6~-[(1R)-2-{[(1R)-1-carboxyprop-2-en-1-yl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["SYC","(pyridin-2-ylmethyl)phosphonic acid","C6 H8 N O3 P","O=P(O)(O)Cc1ncccc1;O[P](O)(=O)Cc1ccccn1;c1ccnc(c1)CP(=O)(O)O","InChI=1S/C6H8NO3P/c8-11(9,10)5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10)","","2010-09-14","2011-06-04","(pyridin-2-ylmethyl)phosphonic acid",""],["ASW","N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide","C21 H19 N3 O3 S","O=S(=O)(Nc1ccc(c(OC)c1)Nc2c4c(nc3c2cccc3)cccc4)C;COc1cc(N[S](C)(=O)=O)ccc1Nc2c3ccccc3nc4ccccc24;COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C","InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)","Amsacrine","2012-07-25","2021-03-01","N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide","2013-07-17"],["SYD","[(5-phenylpyridin-2-yl)methyl]phosphonic acid","C12 H12 N O3 P","O=P(O)(O)Cc1ncc(cc1)c2ccccc2;O[P](O)(=O)Cc1ccc(cn1)c2ccccc2;c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O","InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16)","","2010-09-14","2011-06-04","[(5-phenylpyridin-2-yl)methyl]phosphonic acid",""],["ASX","ASP/ASN AMBIGUOUS","C4 H6 N O2 X2","C(C[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I];*=C(*)CC(C(=O)O)N","","","1999-07-08","2023-11-03","",""],["ASY","(12E)-10-oxooctadec-12-enoic acid","C18 H32 O3","O=C(C/C=C/CCCCC)CCCCCCCCC(=O)O;CCCCCC=CCC(=O)CCCCCCCCC(O)=O;CCCCCC=CCC(=O)CCCCCCCCC(=O)O","InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8+","","2008-03-10","2024-09-27","(12E)-10-oxooctadec-12-enoic acid",""],["SYE","(quinolin-2-ylmethyl)phosphonic acid","C10 H10 N O3 P","O=P(O)(O)Cc1nc2ccccc2cc1;O[P](O)(=O)Cc1ccc2ccccc2n1;c1ccc2c(c1)ccc(n2)CP(=O)(O)O","InChI=1S/C10H10NO3P/c12-15(13,14)7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6H,7H2,(H2,12,13,14)","","2010-09-14","2011-06-04","(quinolin-2-ylmethyl)phosphonic acid",""],["SYF","(2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C44 H57 N7 O8 S","CC(=O)NCc1cc(ccc1OCCOCCOCCC(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C)c5cn6CCCc6n5;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCOCCOc4ccc(cc4CNC(=O)C)c5cn6c(n5)CCC6)O","InChI=1S/C44H57N7O8S/c1-28-40(60-27-47-28)31-10-8-30(9-11-31)23-46-42(55)36-22-34(53)25-51(36)43(56)41(44(3,4)5)49-39(54)14-16-57-17-18-58-19-20-59-37-13-12-32(21-33(37)24-45-29(2)52)35-26-50-15-6-7-38(50)48-35/h8-13,21,26-27,34,36,41,53H,6-7,14-20,22-25H2,1-5H3,(H,45,52)(H,46,55)(H,49,54)/t34-,36+,41-/m1/s1","","2022-12-20","2022-12-23","(2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2022-12-28"],["ASZ","2-(DIMETHYLAMINO)ETHANESULFONIC ACID","C4 H11 N O3 S","O=S(=O)(O)CCN(C)C;CN(C)CC[S](O)(=O)=O;CN(C)CCS(=O)(=O)O","InChI=1S/C4H11NO3S/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)","","2010-05-11","2011-06-04","2-(dimethylamino)ethanesulfonic acid",""],["SYG","2-[(1~{S})-1-azanylpropyl]phenol","C9 H13 N O","CC[CH](N)c1ccccc1O;CCC(c1ccccc1O)N","InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1","","2020-03-13","2020-05-29","2-[(1~{S})-1-azanylpropyl]phenol","2020-06-03"],["AT1","(S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID","C11 H19 N2 O7 P","O=P(O)(O)COc1noc(c1CC(C(=O)O)N)C(C)(C)C;CC(C)(C)c1onc(OC[P](O)(O)=O)c1C[CH](N)C(O)=O;CC(C)(C)c1c(c(no1)OCP(=O)(O)O)CC(C(=O)O)N","InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)/t7-/m0/s1","","2002-12-03","2011-06-04","3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]-L-alanine",""],["SYH","2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one","C14 H16 N4 O","C=C1CCN(CC1)C(=O)Cn2nnc3ccccc23;C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2","InChI=1S/C14H16N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5H,1,6-10H2","2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethan-1-one;  2-(benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethanone","2020-12-07","2022-02-18","2-(benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethanone","2022-02-23"],["AT2","ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE","C14 H21 N3 O2","O=C(OCC)N2CCC(Nc1nccc(c1)C)CC2;CCOC(=O)N1CCC(CC1)Nc2cc(C)ccn2;CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C","InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)","","2005-08-04","2011-06-04","ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate",""],["SYI","6-[diethylcarbamoyl(methyl)amino]-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide","C15 H19 F3 N8 O2","CCN(CC)C(=O)N(C)c1ccc(C(=O)Nc2nnnn2C)c(n1)C(F)(F)F;CCN(CC)C(=O)N(C)c1ccc(c(n1)C(F)(F)F)C(=O)Nc2nnnn2C","InChI=1S/C15H19F3N8O2/c1-5-26(6-2)14(28)24(3)10-8-7-9(11(19-10)15(16,17)18)12(27)20-13-21-22-23-25(13)4/h7-8H,5-6H2,1-4H3,(H,20,21,23,27)","","2023-04-19","2024-03-08","6-[diethylcarbamoyl(methyl)amino]-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide","2024-03-13"],["AT3","ACETYLTHIOCHOLINE","C7 H16 N O S","O=C(SCC[N+](C)(C)C)C;CC(=O)SCC[N+](C)(C)C;CC(=O)SCC[N+](C)(C)C","InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1","2-{[(1S)-1-HYDROXYETHYL]THIO}-N,N,N-TRIMETHYLETHANAMINIUM","2005-10-19","2020-06-17","2-(acetylsulfanyl)-N,N,N-trimethylethanaminium",""],["SYJ","2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide","C11 H10 F N O3 S","Fc1ccccc1[S](=O)(=O)NCc2occc2;c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2","InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2","","2020-03-13","2020-05-29","2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide","2020-06-03"],["AT4","5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE","C10 H15 N5 O9 P2 S","O=P(O)(S)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)S)O)O)N","InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1","ADENOSINE 5'-O-(2-THIODIPHOSPHATE)","2007-01-23","2021-03-01","5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]adenosine",""],["SYL","(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol","C17 H27 N O2","CNCCC(O)c1cc(OCC2CCCCC2)ccc1;CNCC[CH](O)c1cccc(OCC2CCCCC2)c1;CNCCC(c1cccc(c1)OCC2CCCCC2)O","InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1","","2022-07-13","2023-05-19","(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol","2023-05-24"],["AT5","3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE","C15 H21 Cl2 N O5","O=C(C1=C(O)C(OC)=C(OC)NC1=O)C(C)CC(C)C(Cl)CCl;COC1=C(OC)C(=C(C(=O)N1)C(=O)[CH](C)C[CH](C)[CH](Cl)CCl)O;CC(CC(C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)C(CCl)Cl","InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1","ATPENIN A5; AA5","2005-07-21","2020-06-17","3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxypyridin-2(1H)-one",""],["SYM","2S,4R-4-METHYLGLUTAMATE","C6 H10 N O4","[O-]C(=O)C(N)CC(C(=O)O)C;C[CH](C[CH](N)C([O-])=O)C(O)=O;CC(CC(C(=O)[O-])N)C(=O)O","InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1","","2004-02-16","2011-06-04","(2S,4R)-2-amino-4-carboxypentanoate",""],["AT6","N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE","C16 H16 N4 O","N#Cc1ccc(cc1)C(=O)NCCc2nc(N)cc(c2)C;Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1;Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N","InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)","","2005-12-16","2011-06-04","N-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide",""],["AT7","2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate","C10 H14 N8 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(N=[N+]=[N@H])C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3N=[N+]=N;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)N=[N+]=N)N","InChI=1S/C10H13N8O6P/c11-8-6-9(14-2-13-8)18(3-15-6)10-5(16-17-12)7(19)4(24-10)1-23-25(20,21)22/h2-5,7,10,12,19H,1H2,(H3-,11,13,14,20,21,22)/p+1/t4-,5-,7-,10-/m1/s1","","2011-06-10","2012-04-06","2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yladenosine 5'-(dihydrogen phosphate)",""],["SYN","ethenylbenzene","C8 H8","C=Cc1ccccc1;C=Cc1ccccc1;C=Cc1ccccc1","InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2","styrene","2012-10-15","2021-03-01","ethenylbenzene","2013-05-01"],["SYO","[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate","C19 H37 N2 O8 P S","O=C(NCCSCCC(=O)CCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCC(=O)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H37N2O8PS/c1-4-5-6-7-15(22)9-12-31-13-11-20-16(23)8-10-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,23)(H,21,25)(H2,26,27,28)/t17-/m1/s1","","2009-10-15","2024-09-27","N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxooctyl)sulfanyl]ethyl}-beta-alaninamide",""],["AT8","2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine","C24 H22 Cl3 N3","CCc1ccccc1c2ccc(CNCCc3[nH]c4cc(Cl)c(Cl)cc4n3)cc2Cl;CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl","InChI=1S/C24H22Cl3N3/c1-2-16-5-3-4-6-17(16)18-8-7-15(11-19(18)25)14-28-10-9-24-29-22-12-20(26)21(27)13-23(22)30-24/h3-8,11-13,28H,2,9-10,14H2,1H3,(H,29,30)","","2017-08-22","2018-08-31","2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine","2018-09-05"],["SYP","N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide","C11 H19 N5 O S","O=C(NCCNc1ncnc(c1)NCCS)CC;CCC(=O)NCCNc1cc(NCCS)ncn1;CCC(=O)NCCNc1cc(ncn1)NCCS","InChI=1S/C11H19N5OS/c1-2-11(17)14-4-3-12-9-7-10(13-5-6-18)16-8-15-9/h7-8,18H,2-6H2,1H3,(H,14,17)(H2,12,13,15,16)","","2010-12-13","2024-09-27","N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide",""],["AT9","[[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C11 H17 F N5 O13 P3","C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N;CC1(C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F","InChI=1S/C11H17FN5O13P3/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1","AT-9010","2021-03-16","2022-02-11","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2022-02-16"],["SYQ","(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide","C12 H16 N2 O","C[CH](NC(=O)c1cccc(C)n1)C2CC2;Cc1cccc(n1)C(=O)NC(C)C2CC2","InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1","~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide","2020-12-07","2021-01-08","~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide","2021-01-13"],["ATA","ATRAZINE GLUTATHIONE CONJUGATE","C18 H30 N8 O6 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1nc(nc(n1)NC(C)C)NCC;CCNc1nc(NC(C)C)nc(SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)n1;CCNc1nc(nc(n1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(C)C","InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1","","1999-07-08","2011-06-04","L-gamma-glutamyl-S-{4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl}-L-cysteinylglycine",""],["SYR","SYRINGATE","C10 H12 O5","O=C(OC)c1cc(OC)c(O)c(OC)c1;COC(=O)c1cc(OC)c(O)c(OC)c1;COc1cc(cc(c1O)OC)C(=O)OC","InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3","","2004-10-30","2011-06-04","methyl 4-hydroxy-3,5-dimethoxybenzoate",""],["ATC","9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE","C25 H30 N4 O8","O=C(Nc3c(O)c2C(=O)C1=C(O)C4(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C4CC1Cc2cc3)CN(C)C;CN(C)CC(=O)Nc1ccc2C[CH]3C[CH]4[CH](N(C)C)C(=C(C(N)=O)C(=O)[C]4(O)C(=C3C(=O)c2c1O)O)O;CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C(C4(C(CC3C2)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O","InChI=1S/C25H30N4O8/c1-28(2)9-14(30)27-13-6-5-10-7-11-8-12-18(29(3)4)21(33)17(24(26)36)23(35)25(12,37)22(34)16(11)20(32)15(10)19(13)31/h5-6,11-12,18,31,33-34,37H,7-9H2,1-4H3,(H2,26,36)(H,27,30)/t11-,12-,18-,25-/m0/s1","","1999-07-08","2011-06-04","(4S,4aS,5aR,12aS)-4-(dimethylamino)-9-[(N,N-dimethylglycyl)amino]-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["SYS","3-[(2-amino-2-oxoethyl)selanyl]-L-alanine","C5 H10 N2 O3 Se","O=C(O)C(N)C[Se]CC(=O)N;N[CH](C[Se]CC(N)=O)C(O)=O;C(C(C(=O)O)N)[Se]CC(=O)N","InChI=1S/C5H10N2O3Se/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1","L-(Se-carboxamidomethyl)selenocysteine","2008-09-17","2024-09-27","3-[(2-amino-2-oxoethyl)selanyl]-L-alanine",""],["ATD","THYMIDINE-3'-PHOSPHATE","C10 H15 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO;CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8-/m0/s1","","1999-09-29","2011-06-04","3'-thymidylic acid",""],["SYT","(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium","C20 H20 N O4","C[N+]34Cc2c1c(OCO1)ccc2CC3c5c(CC4)cc6c(c5)OCO6;C[N+]12CCc3cc4OCOc4cc3[CH]1Cc5ccc6OCOc6c5C2;C[N+]12CCc3cc4c(cc3C1Cc5ccc6c(c5C2)OCO6)OCO4","InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1","","2019-05-29","2019-08-09","(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium","2019-08-14"],["ATE","16,17-ANDROSTENE-3-OL","C19 H30 O","OC4CCC3(C2C(C1C(C=CC1)(CC2)C)CCC3C4)C;C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC=C2;CC12CCC3C(C1CC=C2)CCC4C3(CCC(C4)O)C","InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1","","2004-10-29","2011-06-04","(3beta,5alpha)-androst-16-en-3-ol",""],["SYU","3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione","C13 H10 F6 N2 O S","OCC1=CN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=S)N1;c1cc(c(cc1C(F)(F)F)C(F)(F)F)CN2C=C(NC2=S)CO","InChI=1S/C13H10F6N2OS/c14-12(15,16)8-2-1-7(10(3-8)13(17,18)19)4-21-5-9(6-22)20-11(21)23/h1-3,5,22H,4,6H2,(H,20,23)","","2022-12-20","2024-07-05","3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione","2024-07-10"],["ATF","PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER","C11 H16 F2 N5 O12 P3","FC(F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)O)N","InChI=1S/C11H16F2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["ATG","PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER","C10 H16 N5 O12 P3 S","O=P(O)(S)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O)N","InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2013-02-04","5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine",""],["SYV","6-azanyl-3-methyl-1,3-benzoxazol-2-one","C8 H8 N2 O2","CN1C(=O)Oc2cc(N)ccc12;CN1c2ccc(cc2OC1=O)N","InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3","","2020-03-13","2020-05-29","6-azanyl-3-methyl-1,3-benzoxazol-2-one","2020-06-03"],["SYW","(R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one","C22 H22 N4 O5 S","C[CH]1CN(CCN1[S](=O)(=O)c2ccc3NC(=O)Oc3c2)C(=O)c4ccc5n(C)ccc5c4;CC1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C","InChI=1S/C22H22N4O5S/c1-14-13-25(21(27)16-3-6-19-15(11-16)7-8-24(19)2)9-10-26(14)32(29,30)17-4-5-18-20(12-17)31-22(28)23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,28)/t14-/m1/s1","6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one; TH7755","2020-12-08","2021-03-19","6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one","2021-03-24"],["ATH","4-HYDROXY-ACONITATE ION","C6 H3 O7","[O-]C(=O)C(O)C(=C/C([O-])=O)C(=O)[O-];O[CH](C([O-])=O)C(=CC([O-])=O)C([O-])=O;C(=C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-]","InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1","","1999-07-08","2011-06-04","(1E,3R)-3-hydroxyprop-1-ene-1,2,3-tricarboxylate",""],["SYX","(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone","C10 H18 N2 O2","O=C(N1CCN(C)CC1)C1CCCO1;CN1CCN(CC1)C(=O)[CH]2CCCO2;CN1CCN(CC1)C(=O)C2CCCO2","InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1","","2023-08-28","2023-11-24","(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone","2023-11-29"],["ATI","N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID","C21 H38 N4 O8","O=C(NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(C)C)C(C)C)C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)N[CH](CC(O)=O)C(O)=O;CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N","InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15-,16+,17+/m1/s1","AMASTATIN","2004-11-24","2013-06-06","N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-valyl-D-valyl-L-aspartic acid",""],["SYY","methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate","C12 H11 N O3 S2","O=C(Nc1c(scc1)C(=O)OC)Cc2sccc2;COC(=O)c1sccc1NC(=O)Cc2sccc2;COC(=O)c1c(ccs1)NC(=O)Cc2cccs2","InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)","","2010-09-23","2011-06-04","methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate",""],["ATJ","ETHYL HYDROGEN PHOSPHONATE","C2 H7 O3 P","O=P(O)OCC;CCO[PH](O)=O;CCOP(=O)O","InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)","","2005-09-07","2024-09-27","ethyl hydrogen (R)-phosphonate",""],["SYZ","N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide","C13 H14 N2 O3 S","Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O;Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O","InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)","~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide","2020-12-08","2020-12-18","~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide","2020-12-23"],["ATK","(1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid","C22 H22 N6 O2","O=C(O)Cc1ccn(c1)c2nc(cnc2)n4ncc3ccc(cc34)NC5CCCC5;OC(=O)Cc1ccn(c1)c2cncc(n2)n3ncc4ccc(NC5CCCC5)cc34;c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O","InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)","","2011-01-05","2011-11-04","(1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid",""],["SZ0","(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid","C21 H27 N3 O5 S","O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC(C2)S(=O)(=O)c3ccncc3;N[CH](Cc1ccccc1)[CH](O)CN2CC[CH](C[CH]2C(O)=O)[S](=O)(=O)c3ccncc3;c1ccc(cc1)CC(C(CN2CCC(CC2C(=O)O)S(=O)(=O)c3ccncc3)O)N","InChI=1S/C21H27N3O5S/c22-18(12-15-4-2-1-3-5-15)20(25)14-24-11-8-17(13-19(24)21(26)27)30(28,29)16-6-9-23-10-7-16/h1-7,9-10,17-20,25H,8,11-14,22H2,(H,26,27)/t17-,18+,19+,20-/m1/s1","","2010-11-03","2012-01-13","(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid",""],["ATL","[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H15 N2 O9 P","O=C1C(=CN(C(=O)N1)C3OC2(C(O)C3OC2)COP(=O)(O)O)C;CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)COP(=O)(O)O)O","InChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t6-,7+,9+,11-/m0/s1","","2002-02-06","2011-06-04","1-{2,5-anhydro-4-[(phosphonooxy)methyl]-beta-D-lyxofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione",""],["SZ1","cycloheptanamine","C7 H15 N","NC1CCCCCC1;NC1CCCCCC1;C1CCCC(CC1)N","InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2","","2011-01-24","2011-08-19","cycloheptanamine",""],["ATM","3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C1NC(=O)N(C=C1C)C2OC(C(N=[N+]=[N-])C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-]","InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","3'-azido-3'-deoxythymidine 5'-(dihydrogen phosphate)",""],["SZ2","5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole","C13 H15 N3 O","C1CCC(CC1)c2onc(n2)c3ccncc3;c1cnccc1c2nc(on2)C3CCCCC3","InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2","5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole","2020-12-08","2020-12-18","5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole","2020-12-23"],["ATO","CHLOROACETONE","C3 H5 Cl O","ClCC(=O)C;CC(=O)CCl;CC(=O)CCl","InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3","","1999-12-13","2011-06-04","1-chloropropan-2-one",""],["ATP","ADENOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","adenosine 5'-(tetrahydrogen triphosphate)",""],["SZ3","trans-4-aminocyclohexanol","C6 H13 N O","OC1CCC(N)CC1;N[CH]1CC[CH](O)CC1;C1CC(CCC1N)O","InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6-","","2011-06-07","2011-08-19","trans-4-aminocyclohexanol",""],["SZ4","1-(3-methoxyphenyl)methanamine","C8 H11 N O","O(c1cc(ccc1)CN)C;COc1cccc(CN)c1;COc1cccc(c1)CN","InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3","","2011-01-31","2011-08-19","1-(3-methoxyphenyl)methanamine",""],["ATQ","2-AMINOTHIAZOLINE","C3 H6 N2 S","N1=C(SCC1)N;NC1=NCCS1;C1CSC(=N1)N","InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)","","1999-09-23","2011-06-04","4,5-dihydro-1,3-thiazol-2-amine",""],["SZ5","2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE","C15 H12 N2 O","Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2;Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)","","2015-03-24","2016-04-08","2-(4-methylphenyl)-3H-quinazolin-4-one","2016-04-13"],["ATR","2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE","C10 H16 N5 O13 P3","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N","InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)",""],["SZ6","N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide","C28 H23 Cl F2 N4 O4","Clc4nc(c3ccc(N(C(=O)c1ccc(O)cc1O)Cc2ccc(cc2)CNC(=O)C(F)F)cc3)c(cn4)C;Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CNC(=O)C(F)F)cc3)C(=O)c4ccc(O)cc4O;Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl","InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)","","2014-10-06","2014-11-28","N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide","2014-12-03"],["ATS","GAMMA-ARSONO-BETA, GAMMA-METHYLENEADENOSINE-5'-DIPHOSPHATE","C11 H18 As N5 O12 P2","O=[As](O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[As](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C[As](=O)(O)O)O)O)O)N","InChI=1S/C11H18AsN5O12P2/c13-9-6-10(15-3-14-9)17(4-16-6)11-8(19)7(18)5(28-11)1-27-31(25,26)29-30(23,24)2-12(20,21)22/h3-5,7-8,11,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1","","2001-03-28","2011-06-04","5'-O-[(S)-{[(R)-(arsonomethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["ATT","2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE","C13 H15 N5 O2 S2","O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2ccccc2;CNC(=O)[CH](Cc1ccccc1)NC(=O)Nc2sc(S)nn2;CNC(=O)C(Cc1ccccc1)NC(=O)Nc2nnc(s2)S","InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1","","1999-07-08","2011-06-04","N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide",""],["SZ7","~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide","C9 H10 N2 O S","O=C(NN=Cc1sccc1)C2CC2;c1cc(sc1)C=NNC(=O)C2CC2","InChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+","","2020-03-13","2020-05-29","~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide","2020-06-03"],["SZ8","methyl (4R)-4-amino-1-methyl-L-prolinate","C7 H14 N2 O2","O=C(OC)C1N(C)CC(N)C1;COC(=O)[CH]1C[CH](N)CN1C;CN1CC(CC1C(=O)OC)N","InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6+/m1/s1","","2011-06-07","2011-08-19","methyl (4R)-4-amino-1-methyl-L-prolinate",""],["ATU","9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE","C16 H11 N3 O3","[O-][N+](=O)c4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4;[O-][N+](=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1;c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2","InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)","ALSTERPAULLONE","2003-08-05","2020-06-17","9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one",""],["SZ9","1-(2,5-dimethylfuran-3-yl)methanamine","C7 H11 N O","o1c(cc(c1C)CN)C;Cc1oc(C)c(CN)c1;Cc1cc(c(o1)C)CN","InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3","","2011-06-08","2011-08-19","1-(2,5-dimethylfuran-3-yl)methanamine",""],["ATV","2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione","C15 H11 N O3","O=C1N(C[CH]2CO2)C(=O)c3cccc4cccc1c34;c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC4CO4","InChI=1S/C15H11NO3/c17-14-11-5-1-3-9-4-2-6-12(13(9)11)15(18)16(14)7-10-8-19-10/h1-6,10H,7-8H2/t10-/m1/s1","N-(2,3-epoxypropyl)-1,8-naphthalimide","2009-12-04","2020-06-17","",""],["SZA","~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide","C12 H12 N2 O S","O=C(NCCc1sccc1)c2ccncc2;c1cc(sc1)CCNC(=O)c2ccncc2","InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15)","","2020-03-13","2020-05-29","~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide","2020-06-03"],["ATW","(1-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid","C20 H20 N6 O2","O=C(O)Cc1ccn(c1)c2nc(cnc2)n4ncc3ccc(cc34)NC(C)C;CC(C)Nc1ccc2cnn(c3cncc(n3)n4ccc(CC(O)=O)c4)c2c1;CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O","InChI=1S/C20H20N6O2/c1-13(2)23-16-4-3-15-9-22-26(17(15)8-16)19-11-21-10-18(24-19)25-6-5-14(12-25)7-20(27)28/h3-6,8-13,23H,7H2,1-2H3,(H,27,28)","","2011-01-05","2011-11-04","(1-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid",""],["ATX","(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE","C9 H15 N3 O2","O=C(c1nnc(o1)C(C)(C)C)C(N)C;C[CH](N)C(=O)c1oc(nn1)C(C)(C)C;CC(C(=O)c1nnc(o1)C(C)(C)C)N","InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1","2-ALANYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE","2005-04-25","2021-03-13","(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one",""],["SZB","succinimide","C4 H3 N O2","O=C1NC(=O)C=C1;C1=CC(=O)NC1=O","InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)","pyrrolidine-2,5-dione; pyrrole-2,5-dione; 2,5-pyrrolidinedione","2020-12-08","2020-12-18","pyrrole-2,5-dione","2020-12-23"],["SZC","N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide","C19 H18 F3 N3 O2 S","FC(F)(F)c1ccc(cc1)c2[nH]c3c(cccc3[S](=O)(=O)NC4CCCC4)n2;c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F","InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-10-8-12(9-11-13)18-23-15-6-3-7-16(17(15)24-18)28(26,27)25-14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,23,24)","","2015-11-26","2016-02-26","N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide","2016-03-02"],["ATY","3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE","C12 H18 N2 O12 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2OC(=O)C;CC(=O)O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=C(C)C(=O)NC2=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)OC(=O)C","InChI=1S/C12H18N2O12P2/c1-6-4-14(12(17)13-11(6)16)10-3-8(24-7(2)15)9(25-10)5-23-28(21,22)26-27(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,21,22)(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","2000-03-09","2011-06-04","3'-O-acetylthymidine 5'-(trihydrogen diphosphate)",""],["SZD","3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide","C20 H13 F5 N2 O4 S","Fc1cc(F)cc(c1)C(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3;c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F","InChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28)","","2020-03-13","2021-03-12","3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide","2021-03-17"],["ATZ","2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE","C8 H14 Cl N5","Clc1nc(nc(n1)NC(C)C)NCC;CCNc1nc(Cl)nc(NC(C)C)n1;CCNc1nc(nc(n1)Cl)NC(C)C","InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)","ATRAZINE","1999-07-08","2021-03-01","6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine",""],["SZE","4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one","C10 H12 F N3 O","CN1CCN(CC1=O)c2ncccc2F;CN1CCN(CC1=O)c2c(cccn2)F","InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3","4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one","2020-12-08","2020-12-18","(4~{R})-4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one","2020-12-23"],["AU","GOLD ION","Au","[Au+];[Au+];[Au+]","InChI=1S/Au/q+1","","1999-07-08","2011-06-04","gold(1+)",""],["SZF","1-methoxy-N-methyl-L-tryptophan","C13 H16 N2 O3","O=C(O)C(NC)Cc1cn(OC)c2ccccc21;CN[CH](Cc1cn(OC)c2ccccc12)C(O)=O;CNC(Cc1cn(c2c1cccc2)OC)C(=O)O","InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1","","2022-07-13","2024-09-27","1-methoxy-N-methyl-L-tryptophan","2023-05-24"],["AU0","Caylin-1","C30 H28 Cl4 N4 O4","COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)c(Cl)c4)c5ccc(Cl)c(Cl)c5;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(c(c4)Cl)Cl)c5ccc(c(c5)Cl)Cl)OC","InChI=1S/C30H28Cl4N4O4/c1-16(2)42-25-14-19(41-3)6-7-20(25)29-36-27(17-4-8-21(31)23(33)12-17)28(18-5-9-22(32)24(34)13-18)38(29)30(40)37-11-10-35-26(39)15-37/h4-9,12-14,16,27-28H,10-11,15H2,1-3H3,(H,35,39)/t27-,28+/m0/s1","4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one","2021-12-01","2022-09-30","4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one","2022-10-05"],["SZG","~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide","C20 H13 Cl F4 N2 O4 S","FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1;c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F","InChI=1S/C20H13ClF4N2O4S/c21-17-6-5-16(10-18(17)26-19(28)11-7-12(22)9-13(23)8-11)32(29,30)27-14-1-3-15(4-2-14)31-20(24)25/h1-10,20,27H,(H,26,28)","","2020-03-13","2021-04-02","~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide","2021-04-07"],["AU1","5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine","C10 H16 N6 O9 P2","O=P(O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NP(=O)(O)O)O)O)O)N","InChI=1S/C10H16N6O9P2/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(25-10)1-24-27(22,23)15-26(19,20)21/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1","Adenosine 5-(alpha,beta-imido)diphosphate","2013-05-03","2021-03-13","5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine","2013-07-17"],["SZH","(2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate","C13 H25 F3 N2 O9 P2","C[CH](CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O)COC(=O)[CH](NN)C(F)(F)F;CC(CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)COC(=O)C(C(F)(F)F)NN","InChI=1S/C13H25F3N2O9P2/c1-9(6-7-26-29(23,24)27-28(20,21)22)4-3-5-10(2)8-25-12(19)11(18-17)13(14,15)16/h6,10-11,18H,3-5,7-8,17H2,1-2H3,(H,23,24)(H2,20,21,22)/b9-6+/t10-,11?/m0/s1","","2009-11-30","2011-06-04","[(E,2S)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-oct-6-enyl] 3,3,3-trifluoro-2-hydrazinyl-propanoate",""],["AU2","2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium","C22 H20 Cl2 N3","Clc1cc(C[NH2+]CCc2[nH]c3ccccc3n2)cc(Cl)c1c4ccccc4;c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl","InChI=1S/C22H19Cl2N3/c23-17-12-15(13-18(24)22(17)16-6-2-1-3-7-16)14-25-11-10-21-26-19-8-4-5-9-20(19)27-21/h1-9,12-13,25H,10-11,14H2,(H,26,27)/p+1","","2017-08-22","2018-08-31","2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium","2018-09-05"],["SZI","[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron","C17 H14 B F6 N2 O3 S","O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F;B(CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F)(O)(O)O","InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2","","2022-12-20","2024-09-27","[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron","2024-07-10"],["AU3","GOLD 3+ ION","Au","[Au+3];[Au+3];[Au+3]","InChI=1S/Au/q+3","","2002-12-09","2011-06-04","gold(3+)",""],["AU4","4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)","C17 H23 N3","N(c1ccc(cc1)C(c2ccc(N(C)C)cc2)N)(C)C;CN(C)c1ccc(cc1)C(N)c2ccc(cc2)N(C)C;CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N","InChI=1S/C17H23N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,17H,18H2,1-4H3","","2007-05-21","2011-06-04","4,4'-(aminomethanediyl)bis(N,N-dimethylaniline)",""],["SZJ","~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide","C20 H14 F4 N2 O4 S","FC(F)Oc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1;c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F","InChI=1S/C20H14F4N2O4S/c21-13-8-12(9-14(22)10-13)19(27)25-16-2-1-3-18(11-16)31(28,29)26-15-4-6-17(7-5-15)30-20(23)24/h1-11,20,26H,(H,25,27)","","2020-03-13","2021-04-02","~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide","2021-04-07"],["SZK","(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee","C14 H15 N3 O","CCn1c(NCc2occc2)nc3ccccc13;CCn1c2ccccc2nc1NCc3ccco3","InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)","1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine","2020-12-08","2020-12-18","1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine","2020-12-23"],["AU5","9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE","C24 H32 N6 O3","COc1cc(OC2CCN(C)CC2)ccc1Nc3ncc4N(C)C(=O)N(C5CCCC5)c4n3;CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5","InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)","","2015-09-14","2015-09-18","9-cyclopentyl-2-[[2-methoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]-7-methyl-purin-8-one","2015-09-23"],["SZL","6-METHOXY-9H-PURINE","C6 H6 N4 O","COc1ncnc2[nH]cnc12;COc1c2c([nH]cn2)ncn1","InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)","","2015-09-07","2016-04-08","6-methoxy-9H-purine","2016-04-13"],["AU6","3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid","C15 H14 N2 O3","OC(c1cc(ccc1)NC(Nc2ccc(C)cc2)=O)=O;Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1;Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O","InChI=1S/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)","","2016-02-17","2016-08-12","3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid","2016-08-17"],["SZN","N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide","C14 H16 N2 O3","Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O;Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O","InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)","~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide","2020-12-08","2020-12-18","~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide","2020-12-23"],["AU7","(2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid","C26 H24 Cl N O3","c2(C1CC1)cccc(c2C(C)Oc3ccc5c(c3)c(C4CC4)c(cn5)[C@H]=[C@H]C(O)=O)Cl;C[CH](Oc1ccc2ncc(C=CC(O)=O)c(C3CC3)c2c1)c4c(Cl)cccc4C5CC5;CC(c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)C=CC(=O)O)C5CC5","InChI=1S/C26H24ClNO3/c1-15(25-20(16-5-6-16)3-2-4-22(25)27)31-19-10-11-23-21(13-19)26(17-7-8-17)18(14-28-23)9-12-24(29)30/h2-4,9-17H,5-8H2,1H3,(H,29,30)/b12-9+/t15-/m0/s1","","2017-07-25","2018-04-27","(2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid","2018-05-02"],["SZO","5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one","C22 H18 N2 O4","Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1C(=O)N(C=N2)c3ccccc3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3","","2023-04-19","2024-04-12","5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one","2024-04-17"],["AU8","[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium","C13 H12 Cl2 N","[NH3+]Cc1cc(Cl)c(c(Cl)c1)c2ccccc2;c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl","InChI=1S/C13H11Cl2N/c14-11-6-9(8-16)7-12(15)13(11)10-4-2-1-3-5-10/h1-7H,8,16H2/p+1","","2017-08-22","2018-02-23","[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium","2018-02-28"],["SZP","N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide","C20 H12 Cl F5 N2 O4 S","N(S(c1cc(c(Cl)cc1)NC(=O)c2cc(cc(c2)F)F)(=O)=O)c3ccc(cc3)OC(F)(F)F;Fc1cc(F)cc(c1)C(=O)Nc2cc(ccc2Cl)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3;c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F","InChI=1S/C20H12ClF5N2O4S/c21-17-6-5-16(10-18(17)27-19(29)11-7-12(22)9-13(23)8-11)33(30,31)28-14-1-3-15(4-2-14)32-20(24,25)26/h1-10,28H,(H,27,29)","","2020-03-13","2021-04-02","N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide","2021-04-07"],["AU9","(2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid","C27 H27 N3 O5 S","Cc1c(OCc2oc(SCc3cccc(CN[CH](CO)C(O)=O)c3)nn2)cccc1c4ccccc4;Cc1c(cccc1OCc2nnc(o2)SCc3cccc(c3)CNC(CO)C(=O)O)c4ccccc4","InChI=1S/C27H27N3O5S/c1-18-22(21-9-3-2-4-10-21)11-6-12-24(18)34-16-25-29-30-27(35-25)36-17-20-8-5-7-19(13-20)14-28-23(15-31)26(32)33/h2-13,23,28,31H,14-17H2,1H3,(H,32,33)/t23-/m0/s1","","2023-05-17","2023-10-20","(2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid","2023-10-25"],["AUB","4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid","C24 H32 N2 O4","O=C(O)c5ccc(OC4CCC(NC(=O)NC13CC2CC(C1)CC(C2)C3)CC4)cc5;OC(=O)c1ccc(O[CH]2CC[CH](CC2)NC(=O)NC34CC5CC(CC(C5)C3)C4)cc1;c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4","InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15-,16+,17-,19-,21-,24-","","2013-11-07","2014-04-11","4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid","2014-04-16"],["SZQ","Trans-methylferulate","C11 H12 O4","COC(=O)C=Cc1ccc(O)c(OC)c1;COc1cc(ccc1O)C=CC(=O)OC","InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+","methyl (~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate","2020-12-08","2021-03-05","methyl (~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate","2021-03-10"],["SZR","(2R)-4-cyano-2-hydroxybutanoic acid","C5 H7 N O3","O=C(O)C(O)CCC#N;O[CH](CCC#N)C(O)=O;C(CC(C(=O)O)O)C#N","InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1","","2022-07-13","2024-09-27","(2R)-4-cyano-2-hydroxybutanoic acid","2023-05-24"],["AUC","GOLD (I) CYANIDE ION","C2 Au N2","N#C[Au]C#N;N#C[Au]C#N;C(#N)[Au]C#N","InChI=1S/2CN.Au/c2*1-2;","","1999-07-08","2011-06-04","bis(cyano-kappaC)gold",""],["SZS","methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside","C17 H22 O9","C1(C(O)C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)OC;CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)CC(=O)OCc2ccccc2)[CH]1O;COC1C(C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O","InChI=1S/C17H22O9/c1-23-17-15(22)16(14(21)11(8-18)25-17)26-13(20)7-12(19)24-9-10-5-3-2-4-6-10/h2-6,11,14-18,21-22H,7-9H2,1H3/t11-,14+,15-,16+,17-/m1/s1","","2020-03-13","2020-08-28","methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside","2020-09-02"],["AUD","Acesulfame","C4 H5 N O4 S","CC=1OS(=O)(=O)NC(=O)C=1;CC1=CC(=O)N[S](=O)(=O)O1;CC1=CC(=O)NS(=O)(=O)O1","InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)","6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione","2017-07-25","2020-06-17","6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione","2018-02-07"],["SZU","2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide","C21 H21 F N6 O2","Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2;c1ccc2c(c1)[nH]c(n2)CCNCCc3nc(co3)C(=O)NCc4c(cccn4)F","InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27)","","2022-12-20","2023-05-15","2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide","2023-03-22"],["AUE","6-(3-chlorophenyl)pteridine-2,4,7-triamine","C12 H10 Cl N7","n1c(N)nc2c(c1N)nc(c(n2)N)c3cccc(c3)Cl;Nc1nc(N)c2nc(c(N)nc2n1)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N","InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)","","2016-02-29","2016-04-08","6-(3-chlorophenyl)pteridine-2,4,7-triamine","2016-04-13"],["SZV","4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid","C20 H14 N4 O5","c2(c(n1c(cncc1)n2)Nc3ccc(c(C(O)=O)c3)C(O)=O)c4c(cccc4)O;OC(=O)c1ccc(Nc2n3ccncc3nc2c4ccccc4O)cc1C(O)=O;c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O","InChI=1S/C20H14N4O5/c25-15-4-2-1-3-13(15)17-18(24-8-7-21-10-16(24)23-17)22-11-5-6-12(19(26)27)14(9-11)20(28)29/h1-10,22,25H,(H,26,27)(H,28,29)","","2020-03-16","2021-03-12","4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid","2021-03-17"],["AUF","triethylphosphanuidylgold(1+)","C6 H15 Au P","[Au+].CC[P--](CC)CC;CC[P-](CC)(CC)[Au+]","InChI=1S/C6H15P.Au/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;","gold(I)-triethylphosphane","2015-09-18","2021-03-01","triethylphosphanuidylgold(1+)","2016-09-14"],["SZW","3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile","C19 H21 Cl N6","CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23;CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)C4CCCN(C4)CCC#N","InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1","","2020-12-08","2020-12-11","3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile","2020-12-16"],["AUG","6-(3-bromophenyl)pteridine-2,4,7-triamine","C12 H10 Br N7","n1c(N)nc2c(c1N)nc(c(n2)N)c3cccc(c3)Br;Nc1nc(N)c2nc(c(N)nc2n1)c3cccc(Br)c3;c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N","InChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)","","2016-02-29","2016-04-08","6-(3-bromophenyl)pteridine-2,4,7-triamine","2016-04-13"],["SZX","(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide","C10 H12 N2 O3","O=C(Nc1ccccn1)C1COCCO1;O=C(Nc1ccccn1)[CH]2COCCO2;c1ccnc(c1)NC(=O)C2COCCO2","InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1","","2023-08-28","2023-11-24","(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide","2023-11-29"],["AUH","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine","C25 H27 N3 O","CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2OC;CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3","InChI=1S/C25H27N3O/c1-3-19-8-4-5-9-20(19)21-13-12-18(16-24(21)29-2)17-26-15-14-25-27-22-10-6-7-11-23(22)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)","","2017-08-22","2018-02-23","2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine","2018-02-28"],["SZY","N-(4-methylpyridin-3-yl)acetamide","C8 H10 N2 O","c1(ccncc1NC(C)=O)C;CC(=O)Nc1cnccc1C;Cc1ccncc1NC(=O)C","InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)","","2020-03-16","2020-03-20","N-(4-methylpyridin-3-yl)acetamide","2020-03-25"],["AUI","3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one","C25 H33 N O2","O=C2c1c(cccc1)NC(=C2CC=C(/C)CCC=C(/C)CC(O)C=C(/C)C)C;CC(C)=C[CH](O)CC(C)=CCCC(C)=CCC1=C(C)Nc2ccccc2C1=O;CC1=C(C(=O)c2ccccc2N1)CC=C(C)CCC=C(C)CC(C=C(C)C)O","InChI=1S/C25H33NO2/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26-24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27H,8-9,14,16H2,1-5H3,(H,26,28)/b18-13+,19-10+/t21-/m0/s1","Dehydroxy-aurachin RE","2013-07-29","2021-03-01","3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one","2014-01-01"],["SZZ","Sinigrin","C10 H17 N O9 S2","OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1","","2016-11-16","2020-07-17","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]\n(1~{E})-~{N}-sulfooxybut-3-enimidothioate","2017-07-05"],["AUJ","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","C14 H23 N4 O10 P2 S","Cc1ncc(Cn2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](C)(O)OO)c(N)n1;Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)C(C)(O)OO","InChI=1S/C14H23N4O10P2S/c1-8-11(4-5-26-30(24,25)28-29(21,22)23)31-13(14(3,19)27-20)18(8)7-10-6-16-9(2)17-12(10)15/h6,19-20H,4-5,7H2,1-3H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/t14-/m0/s1","","2017-07-26","2022-05-19","2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1S)-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate","2018-02-14"],["T00","N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine","C19 H24 N2 O3","O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2;N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(C(CNC(Cc2ccccc2)C(=O)O)O)N","InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18+/m0/s1","","2010-11-17","2012-01-13","N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine",""],["AUK","1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one","C25 H33 N O2","O=C2c1c(cccc1)N(O)C(=C2CC=C(/C)CCC=C(/C)CCC=C(/C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)N(O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2N1O)CC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+","Aurachin C","2009-04-17","2020-06-17","1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one",""],["AUL","2'-deoxy-5-{(1E)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate)","C24 H42 N3 O16 P3","O=C(CCCCCCCCCO)NCCC[C@H]=CC=1C(NC(N(C=1)C2OC(C(C2)O)COP(OP(O)(=O)OP(O)(O)=O)(O)=O)=O)=O;OCCCCCCCCCC(=O)NCCCC=CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C24H42N3O16P3/c28-14-10-5-3-1-2-4-8-12-21(30)25-13-9-6-7-11-18-16-27(24(32)26-23(18)31)22-15-19(29)20(41-22)17-40-45(36,37)43-46(38,39)42-44(33,34)35/h7,11,16,19-20,22,28-29H,1-6,8-10,12-15,17H2,(H,25,30)(H,36,37)(H,38,39)(H,26,31,32)(H2,33,34,35)/b11-7+/t19-,20+,22+/m0/s1","","2016-03-17","2016-12-02","2'-deoxy-5-{(1E)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate)","2016-12-07"],["T01","N-(4-fluorobenzoyl)-L-gamma-glutamyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","C20 H25 F N3 O13 P","O=C(c1ccc(F)cc1)NC(C(=O)O)CCC(=O)NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](N[P](O)(=O)OC[CH](NC(=O)CC[CH](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F","InChI=1S/C20H25FN3O13P/c21-11-3-1-10(2-4-11)17(28)23-12(18(29)30)5-7-15(25)22-14(20(33)34)9-37-38(35,36)24-13(19(31)32)6-8-16(26)27/h1-4,12-14H,5-9H2,(H,22,25)(H,23,28)(H,26,27)(H,29,30)(H,31,32)(H,33,34)(H2,24,35,36)/t12-,13-,14-/m0/s1","","2013-04-17","2014-03-28","N-(4-fluorobenzoyl)-L-gamma-glutamyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine","2014-04-02"],["T02","1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C17 H16 Cl N3 O2","CC(C)c1nn(c2ccc(Cl)cc2)c3nc(C)cc(C(O)=O)c13;Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O","InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)","","2019-09-25","2020-05-15","1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2020-05-20"],["AUM","[nitroso(phosphonomethyl)amino]acetic acid","C3 H7 N2 O6 P","O=NN(CC(=O)O)CP(=O)(O)O;OC(=O)CN(C[P](O)(O)=O)N=O;C(C(=O)O)N(CP(=O)(O)O)N=O","InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)","","2021-11-09","2026-02-06","[nitroso(phosphonomethyl)amino]acetic acid","2026-02-11"],["AUN","(2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide","C22 H20 Br N5 O2","C[CH](Oc1ccc(cc1)c2cn(C)cn2)C(=O)Nc3[nH]c(cn3)c4ccc(Br)cc4;CC(C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C","InChI=1S/C22H20BrN5O2/c1-14(30-18-9-5-16(6-10-18)20-12-28(2)13-25-20)21(29)27-22-24-11-19(26-22)15-3-7-17(23)8-4-15/h3-14H,1-2H3,(H2,24,26,27,29)/t14-/m0/s1","","2017-08-23","2018-03-23","(2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide","2018-03-28"],["T03","3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole","C9 H8 F N3 S","Fc1ccc(CSc2[nH]cnn2)cc1;c1cc(ccc1CSc2[nH]cnn2)F","InChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)","","2009-09-01","2011-06-04","3-[(4-fluorophenyl)methylsulfanyl]-4H-1,2,4-triazole",""],["T04","2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid","C23 H20 F N3 O6 S2","OC(=O)CC[CH](NC(=O)c1cc(CNc2ccc(cc2)C=C3SC(=S)NC3=O)ccc1F)C(O)=O;c1cc(ccc1C=C2C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F","InChI=1S/C23H20FN3O6S2/c24-16-6-3-13(9-15(16)20(30)26-17(22(32)33)7-8-19(28)29)11-25-14-4-1-12(2-5-14)10-18-21(31)27-23(34)35-18/h1-6,9-10,17,25H,7-8,11H2,(H,26,30)(H,28,29)(H,32,33)(H,27,31,34)/b18-10-/t17-/m1/s1","","2011-01-20","2011-06-04","2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid",""],["AUO","(8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid","C38 H60 O18","OCC1C(O)C(O)C(C(O1)OC2C(C(CO)OC(C2OC3OC(CO)C(C(C3O)O)O)OC76C(=C)/CC5(CCC4C(C(O)=O)(CCCC4(C5CC6)C)C)C7)O)O;C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C(O)=O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)O","InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1","","2018-11-28","2019-07-26","(8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid","2019-07-31"],["AUP","2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE","C24 H21 N2 P","n1ccccc1c3c5c(c(c2ncccc2)p3c4ccccc4)CCCC5;C1CCc2c(C1)c([p](c3ccccc3)c2c4ccccn4)c5ccccn5;c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5","InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2","","2005-07-20","2011-06-04","2,2'-(2-phenyl-4,5,6,7-tetrahydro-2H-isophosphindole-1,3-diyl)dipyridine",""],["T05","4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid","C24 H25 N3 O7 S","O=S(=O)(c2cc(Oc1cc(ccc1)C)c(C(=O)O)cc2)N4CCCC(N3C=C(C(=O)NC3=O)C)C4;Cc1cccc(Oc2cc(ccc2C(O)=O)[S](=O)(=O)N3CCC[CH](C3)N4C=C(C)C(=O)NC4=O)c1;Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCCC(C3)N4C=C(C(=O)NC4=O)C","InChI=1S/C24H25N3O7S/c1-15-5-3-7-18(11-15)34-21-12-19(8-9-20(21)23(29)30)35(32,33)26-10-4-6-17(14-26)27-13-16(2)22(28)25-24(27)31/h3,5,7-9,11-13,17H,4,6,10,14H2,1-2H3,(H,29,30)(H,25,28,31)/t17-/m0/s1","","2012-10-23","2012-10-26","4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid","2012-10-26"],["T06","6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C20 H22 F N3 O2","CCC(CC)c1nn(c2ccc(F)cc2)c3nc(CC)cc(C(O)=O)c13;CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O","InChI=1S/C20H22FN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26)","","2019-09-25","2020-05-15","6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2020-05-20"],["AUQ","(2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide","C16 H16 I N O3","COc1ccc(O[CH](C)C(=O)Nc2ccc(I)cc2)cc1;CC(C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC","InChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1","","2017-08-23","2018-03-23","(2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide","2018-03-28"],["T07","5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine","C9 H8 Cl2 N4 S","Clc1ccc(c(Cl)c1)CSc2nnc(N)n2;Nc1[nH]c(SCc2ccc(Cl)cc2Cl)nn1;c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N","InChI=1S/C9H8Cl2N4S/c10-6-2-1-5(7(11)3-6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15)","","2009-09-01","2011-06-04","5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine",""],["AUR","AUROVERTIN B","C25 H32 O8","O=C1OC(=C(C(OC)=C1)C)C=CC=CC=CC3OC2(C(OC(=O)C)C(OC2CC)(C3O)C)C;CC[CH]1O[C]2(C)[CH](O)[CH](O[C]1(C)[CH]2OC(C)=O)C=CC=CC=CC3=C(C)C(=CC(=O)O3)OC;CCC1C2(C(C(O1)(C(C(O2)C=CC=CC=CC3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C","InChI=1S/C25H32O8/c1-7-20-24(4)23(30-16(3)26)25(5,33-20)22(28)18(32-24)13-11-9-8-10-12-17-15(2)19(29-6)14-21(27)31-17/h8-14,18,20,22-23,28H,7H2,1-6H3/b9-8+,12-10+,13-11+/t18-,20+,22-,23+,24-,25-/m0/s1","","1999-07-08","2011-06-04","(1S)-4-O-acetyl-1,5:3,6-dianhydro-7,8-dideoxy-1-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)hexa-1,3,5-trien-1-yl]-3,5-dimethyl-D-glycero-L-talo-octitol",""],["T08","(2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol","C26 H38 O5","O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(C)C)CC(O)CO;Cc1cc(ccc1OC[CH](O)CO)C(C)(C)c2ccc(OC[CH](O)C(C)(C)C)c(C)c2;Cc1cc(ccc1OCC(CO)O)C(C)(C)c2ccc(c(c2)C)OCC(C(C)(C)C)O","InChI=1S/C26H38O5/c1-17-12-19(8-10-22(17)30-15-21(28)14-27)26(6,7)20-9-11-23(18(2)13-20)31-16-24(29)25(3,4)5/h8-13,21,24,27-29H,14-16H2,1-7H3/t21-,24-/m0/s1","","2013-05-24","2013-10-04","(2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol","2013-10-09"],["C1U","2-[(~{E},6~{S},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid","C18 H26 O6","C[CH](O)CCC[CH](O)CCCC=Cc1cc(O)cc(O)c1C(O)=O;CC(CCCC(CCCC=Cc1cc(cc(c1C(=O)O)O)O)O)O","InChI=1S/C18H26O6/c1-12(19)6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)24/h3,7,10-12,14,19-22H,2,4-6,8-9H2,1H3,(H,23,24)/b7-3+/t12-,14-/m0/s1","","2019-04-05","2020-04-03","2-[(~{E},6~{S},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid","2020-04-08"],["C1V","3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile","C20 H12 N2 O3 S","N#CC4=C(O)c1c(scc1c3ccc(c2ccccc2O)cc3)NC4=O;Oc1ccccc1c2ccc(cc2)c3csc4NC(=O)C(=C(O)c34)C#N;c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O","InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)","","2013-11-14","2014-09-05","4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile","2013-12-25"],["T09","(2S,4R)-2-amino-4-methyloctanoic acid","C9 H19 N O2","NC(CC(C)CCCC)C(=O)O;CCCC[CH](C)C[CH](N)C(O)=O;CCCCC(C)CC(C(=O)O)N","InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1","","2022-07-13","2024-09-27","(2S,4R)-2-amino-4-methyloctanoic acid","2023-05-24"],["T0A","5-deazatetrahydropterin","C7 H10 N4 O","NC1=NC2=C(CCCN2)C(=O)N1;C1CC2=C(NC1)N=C(NC2=O)N","InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)","","2018-12-08","2019-12-13","2-azanyl-5,6,7,8-tetrahydro-3~{H}-pyrido[2,3-d]pyrimidin-4-one","2019-12-18"],["C1W","2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid","C17 H11 Cl2 F N4 O2","OC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccc(F)cc3)n2)cc1Cl;c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F","InChI=1S/C17H11Cl2FN4O2/c18-13-7-11(5-6-12(13)16(25)26)23-17-21-8-14(19)15(24-17)22-10-3-1-9(20)2-4-10/h1-8H,(H,25,26)(H2,21,22,23,24)","","2017-11-04","2018-10-19","2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid","2018-10-24"],["T0B","[(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone","C23 H27 N5 O4","COc1cc2nc(nc(N)c2cc1OC)N3CCN([CH]4CCCC[CH]34)C(=O)c5occc5;COc1cc2c(cc1OC)nc(nc2N)N3CCN(C4C3CCCC4)C(=O)c5ccco5","InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1","","2020-12-08","2022-01-07","[(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone","2022-01-12"],["C1X","(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE","C16 H26 N2 O6 S","O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O;N[CH](CCCCN=C1CSC[CH](CCC(O)=O)[CH]1CC(O)=O)C(O)=O;C1C(C(C(=NCCCCC(C(=O)O)N)CS1)CC(=O)O)CCC(=O)O","InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1","2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID","2005-09-11","2024-09-27","(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine",""],["T0C","(2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one","C27 H20 O4","OC1=C([CH](OC1=O)c2ccc(OCc3cccc4ccccc34)cc2)c5ccccc5;c1ccc(cc1)C2=C(C(=O)OC2c3ccc(cc3)OCc4cccc5c4cccc5)O","InChI=1S/C27H20O4/c28-25-24(19-8-2-1-3-9-19)26(31-27(25)29)20-13-15-22(16-14-20)30-17-21-11-6-10-18-7-4-5-12-23(18)21/h1-16,26,28H,17H2/t26-/m1/s1","","2022-12-20","2023-04-21","(2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one","2023-04-26"],["C1Y","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol","C14 H21 N5 O","c12ncnc(c1ncc2CN3CC(O)C(CCC)C3)N;CCC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23;CCCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N","InChI=1S/C14H21N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,16,20H,2-3,5-7H2,1H3,(H2,15,17,18)/t9-,11-/m0/s1","5'-deoxy-5'-Propyl-DADMe-Immucillin-A","2017-09-11","2021-03-01","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol","2018-09-12"],["T0D","(2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide","C26 H38 Cl N3 O9 S","CC(COC(=O)NC(CC(C)C)C(NC(C(OC(C)=O)S(=O)(=O)O)CC1CCNC1=O)=O)(C)c2cc(ccc2)Cl;CC(C)C[CH](NC(=O)OCC(C)(C)c1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](OC(C)=O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl","InChI=1S/C26H38ClN3O9S/c1-15(2)11-20(30-25(34)38-14-26(4,5)18-7-6-8-19(27)13-18)23(33)29-21(12-17-9-10-28-22(17)32)24(39-16(3)31)40(35,36)37/h6-8,13,15,17,20-21,24H,9-12,14H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)(H,35,36,37)/t17-,20-,21-,24+/m0/s1","","2020-03-16","2024-09-27","(1R,2S)-1-(acetyloxy)-2-[(N-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2020-09-30"],["C1Z","guanosine 3'-diphosphate 5'-triphosphate","C10 H18 N5 O20 P5","NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O)c2N1;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N","InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1","","2017-11-07","2018-01-19","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate","2018-01-24"],["T0E","5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide","C24 H25 F N4 O4","O=C(NCc1ccnn1)c2c(F)ccc(c2)C5C(COc4cc3OCOc3cc4)CNCC5;Fc1ccc(cc1C(=O)NCc2[nH]ncc2)[CH]3CCNC[CH]3COc4ccc5OCOc5c4;c1cc(c(cc1C2CCNCC2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F","InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1","","2017-01-25","2017-04-07","5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide","2017-04-12"],["C20","ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL","C31 H51 N5 O5","O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(NC(=O)C(NC(=O)C)C(C)C)CC2CCCCC2)C(C)C)C;CC(C)[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[CH](O)CN(CC2CCCCC2)NC(=O)[CH](NC(C)=O)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(CN(CC2CCCCC2)NC(=O)C(C(C)C)NC(=O)C)O)NC(=O)C","InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1","CGP 53820","1999-07-08","2021-03-01","(2S)-2-(acetylamino)-N-[(1S,2S)-3-{2-[(2S)-2-(acetylamino)-3-methylbutanoyl]-1-(cyclohexylmethyl)hydrazino}-1-benzyl-2-hydroxypropyl]-3-methylbutanamide (non-preferred name)",""],["T0F","(2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","C24 H20 Cl F2 N5 O","Clc1ccccc1c1cccnc1N1CC2(NC(=N)N(C)C(=O)C2C1)c1cc(F)ccc1F;CN1C(=N)N[C]2(CN(C[CH]2C1=O)c3ncccc3c4ccccc4Cl)c5cc(F)ccc5F;CN1C(=O)C2CN(CC2(NC1=N)c3cc(ccc3F)F)c4c(cccn4)c5ccccc5Cl","InChI=1S/C24H20ClF2N5O/c1-31-22(33)18-12-32(21-16(6-4-10-29-21)15-5-2-3-7-19(15)25)13-24(18,30-23(31)28)17-11-14(26)8-9-20(17)27/h2-11,18H,12-13H2,1H3,(H2,28,30)/t18-,24+/m0/s1","","2023-08-28","2024-08-23","(2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","2024-08-28"],["C21","THIOPHENE-2-CARBOXYLIC ACID","C5 H4 O2 S","O=C(O)c1sccc1;OC(=O)c1sccc1;c1cc(sc1)C(=O)O","InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)","","2006-06-21","2011-06-04","thiophene-2-carboxylic acid",""],["T0H","(1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol","C27 H40 O3","CC(C)(O)CCC[CH]=[C]=[C]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2=C=CCCCC(C)(C)O","InChI=1S/C27H40O3/c1-19-21(17-23(28)18-25(19)29)12-11-20-9-8-16-27(4)22(13-14-24(20)27)10-6-5-7-15-26(2,3)30/h6,11-12,23-25,28-30H,1,5,7-9,13-18H2,2-4H3/b20-11+,21-12-/t10?,23-,24+,25+,27-/m1/s1","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2020-12-09","2021-08-27","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2021-09-01"],["C22","3-chloro-L-alanine","C3 H6 Cl N O2","ClCC(N)C(=O)O;N[CH](CCl)C(O)=O;C(C(C(=O)O)N)Cl","InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1","","2011-04-25","2012-07-17","3-chloro-L-alanine",""],["T0I","(2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid","C12 H13 N3 O4","N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O;c1cn(cn1)c2cc(c(cc2O)O)CC(C(=O)O)N","InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1","","2011-01-31","2024-09-27","(2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid",""],["C23","1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one","C23 H25 N O3","O=C(c3oc2cccc(OC1CCNCC1)c2c3C)CCc4ccccc4;Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)CCc4ccccc4;Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4","InChI=1S/C23H25NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-9,18,24H,10-15H2,1H3","","2012-07-06","2014-09-05","1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one","2012-10-12"],["T0J","N~1~-phenylpiperidine-1,4-dicarboxamide","C13 H17 N3 O2","C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O;NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N","InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)","","2020-03-16","2020-03-20","N~1~-phenylpiperidine-1,4-dicarboxamide","2020-03-25"],["C24","3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER","C27 H29 N7 O3","O=C(OCC)CCN(c1ncccc1)C(=O)c4ccc2c(nc(n2C)CNc3ccc(C(=[N@H])N)cc3)c4;CCOC(=O)CCN(C(=O)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1)c4ccccn4;CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N","InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)","","2002-01-18","2011-06-04","ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate",""],["T0K","(2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide","C33 H36 N4 O2 S","O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1;O=C(CCc1cccnc1)N[CH](CS[CH](Cc2ccccc2)C(=O)NCCc3cccnc3)Cc4ccccc4;c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCc3cccnc3)NC(=O)CCc4cccnc4","InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31-/m0/s1","","2022-07-14","2022-07-22","(2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide","2022-07-27"],["C25","CYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h16-17H,10H2","","2002-08-23","2009-01-07","5'-cytidylic acid",""],["T0L","4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid","C16 H9 Cl N2 O2","OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)c(c3)C#N;c1cc(c(cc1c2cc(cc3c2cc[nH]3)C(=O)O)C#N)Cl","InChI=1S/C16H9ClN2O2/c17-14-2-1-9(5-11(14)8-18)13-6-10(16(20)21)7-15-12(13)3-4-19-15/h1-7,19H,(H,20,21)","","2022-12-20","2024-01-05","4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid","2024-01-10"],["C26","(2R)-2-ETHYL-1-HEXANESULFONIC ACID","C8 H18 O4 S","O=S(=O)(OCC(CCCC)CC)O;CCCC[CH](CC)CO[S](O)(=O)=O;CCCCC(CC)COS(=O)(=O)O","InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)/t8-/m1/s1","","2003-06-18","2011-06-04","(2R)-2-ethylhexyl hydrogen sulfate",""],["T0M","Thiomersal","C9 H10 Hg O2 S","O=C(O)c1ccccc1S[Hg]CC;CC[Hg]Sc1ccccc1C(O)=O;CC[Hg]Sc1ccccc1C(=O)O","InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1","","2012-10-30","2014-09-17","ethyl[2-(sulfanyl-kappaS)benzoato]mercury","2012-12-07"],["C27","(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one","C21 H25 N3 O2","O=C3N(C(=NC(CCc2cccc(c1cccc(OC)c1)c2)(C3)C)N)C;COc1cccc(c1)c2cccc(CC[C]3(C)CC(=O)N(C)C(=N3)N)c2;CC1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC","InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1","","2007-08-30","2011-06-04","(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",""],["T0N","~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid","C15 H26 N5 O7 P","CN1CCN(C)C1N[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC3N(CCN3C)C)O)O","InChI=1S/C15H26N5O7P/c1-9-7-20(15(23)16-13(9)22)12-6-10(21)11(27-12)8-26-28(24,25)17-14-18(2)4-5-19(14)3/h7,10-12,14,21H,4-6,8H2,1-3H3,(H,16,22,23)(H2,17,24,25)/t10-,11+,12+/m0/s1","phosphoryl thymidine moiety, Rp-diastereomer","2020-12-09","2023-08-15","~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid","2021-01-13"],["C28","N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE","C19 H26 F4 N4 O4 S","O=S(=O)(N1CCOCC1)CC(C(=O)NC2(CN)CC2)NC(c3ccc(F)cc3)C(F)(F)F;NCC1(CC1)NC(=O)[CH](C[S](=O)(=O)N2CCOCC2)N[CH](c3ccc(F)cc3)C(F)(F)F;c1cc(ccc1C(C(F)(F)F)NC(CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F","InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1","","2006-02-03","2024-09-27","N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide",""],["C29","4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid","C10 H11 N O3","O=C(O)c2ccc1c(OCCN1C)c2;CN1CCOc2cc(ccc12)C(O)=O;CN1CCOc2c1ccc(c2)C(=O)O","InChI=1S/C10H11NO3/c1-11-4-5-14-9-6-7(10(12)13)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,12,13)","","2013-04-25","2013-05-17","4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid","2013-05-22"],["T0O","5-chloro-1H-imidazole","C3 H3 Cl N2","Clc1cnc[NH]1;Clc1[nH]cnc1;c1c([nH]cn1)Cl","InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)","","2023-08-28","2023-11-24","5-chloro-1H-imidazole","2023-11-29"],["T0P","[(2~{R},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{H}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C18 H20 F N5 O8 P","NC1=Nc2c(n(CC(=O)c3ccccc3)c[n]2[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4F)C(=O)N1;c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)F","InChI=1S/C18H20FN5O8P/c19-12-14(26)11(7-31-33(28,29)30)32-17(12)24-8-23(6-10(25)9-4-2-1-3-5-9)13-15(24)21-18(20)22-16(13)27/h1-5,8,11-12,14,17,26H,6-7H2,(H2,28,29,30)(H3,20,21,22,27)/t11-,12+,14-,17-/m1/s1","","2020-03-16","2022-02-04","[(2~{R},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{H}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2022-02-09"],["C2A","1-(3-CHLOROPHENYL)METHANAMINE","C7 H8 Cl N","Clc1cc(ccc1)CN;NCc1cccc(Cl)c1;c1cc(cc(c1)Cl)CN","InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2","INHIBITOR OF THROMBIN","2005-12-08","2025-08-01","1-(3-chlorophenyl)methanamine",""],["T0Q","~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid","C15 H26 N5 O7 P","CN1CCN(C)C1N[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC3N(CCN3C)C)O)O","InChI=1S/C15H26N5O7P/c1-9-7-20(15(23)16-13(9)22)12-6-10(21)11(27-12)8-26-28(24,25)17-14-18(2)4-5-19(14)3/h7,10-12,14,21H,4-6,8H2,1-3H3,(H,16,22,23)(H2,17,24,25)/t10-,11+,12+/m0/s1","phosphoryl thymidine moiety, Sp-diastereomer","2020-12-09","2023-09-22","~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid","2021-01-13"],["C2B","1-(4-CHLOROPHENYL)METHANAMINE","C7 H8 Cl N","Clc1ccc(cc1)CN;NCc1ccc(Cl)cc1;c1cc(ccc1CN)Cl","InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2","","2007-06-08","2011-06-04","1-(4-chlorophenyl)methanamine",""],["T0R"," Toremifene","C26 H28 Cl N O","c3cc(C(=C(/CCCl)c1ccccc1)/c2ccccc2)ccc3OCCN(C)C;CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3;CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3","InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-","","2016-05-04","2016-06-24","2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethan-1-amine","2016-06-29"],["C2C","CU-CL-CU LINKAGE","Cl Cu2","[Cu][Cl][Cu];Cl([Cu])[Cu]","InChI=1S/ClH.2Cu/h1H;;","","2002-11-21","2023-09-23","(cuprio-$l^{2}-chloranyl)copper",""],["T0S","N-[(4-sulfamoylphenyl)methyl]acetamide","C9 H12 N2 O3 S","c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O;CC(=O)NCc1ccc(cc1)[S](N)(=O)=O;CC(=O)NCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)","","2020-03-16","2020-03-20","N-[(4-sulfamoylphenyl)methyl]acetamide","2020-03-25"],["C2D","6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL","C22 H31 Cl2 N5 O S","ClC1N(C(O)C(=NC1)NCCC2NCCCC2)CCNCc3c4cc(Cl)ccc4sc3;O[CH]1N(CCNCc2csc3ccc(Cl)cc23)[CH](Cl)CN=C1NCC[CH]4CCCCN4;c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl","InChI=1S/C22H31Cl2N5OS/c23-16-4-5-19-18(11-16)15(14-31-19)12-25-9-10-29-20(24)13-28-21(22(29)30)27-8-6-17-3-1-2-7-26-17/h4-5,11,14,17,20,22,25-26,30H,1-3,6-10,12-13H2,(H,27,28)/t17-,20-,22?/m1/s1","","2005-07-27","2011-06-04","(2R,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-piperidin-2-yl]ethyl}amino)-1,2,5,6-tetrahydropyrazin-2-ol",""],["T0T","(1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphonato-D-erythro-pentitol","C19 H22 N O6 P","O=P(O)(OCC3OC(c2ccc(C=Cc1ccccc1N)cc2)CC3O)O;Nc1ccccc1C=Cc2ccc(cc2)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1ccc(c(c1)C=Cc2ccc(cc2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C19H22NO6P/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)18-11-17(21)19(26-18)12-25-27(22,23)24/h1-10,17-19,21H,11-12,20H2,(H2,22,23,24)/b8-5+/t17-,18+,19+/m0/s1","","2014-06-24","2014-11-28","(1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol","2014-12-03"],["C2E","9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)","C20 H24 N10 O14 P2","O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(OC4C(OC(n2c3N=C(N)NC(=O)c3nc2)C4O)COP(=O)(O)OC5C6O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7C(=O)NC(=Nc67)N;c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N","InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1","c-di-GMP; Cyclic diguanosine monophosphate","2007-10-15","2020-01-26","9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",""],["T0U","4,4'-methylenediphenol","C13 H12 O2","Oc1ccc(Cc2ccc(O)cc2)cc1;Oc1ccc(Cc2ccc(O)cc2)cc1;c1cc(ccc1Cc2ccc(cc2)O)O","InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2","Bisphenol F","2022-07-14","2022-10-28","4,4'-methylenediphenol","2022-11-02"],["C2F","5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID","C20 H25 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C)CCC(=O)O;CN1[CH](CNc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)CNC3=C1C(=O)NC(=N3)N;CN1C(CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1","","1999-07-08","2011-06-04","N-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",""],["T0V","1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine","C12 H12 F N O","c2(CNCc1cc(F)ccc1)occc2;Fc1cccc(CNCc2occc2)c1;c1cc(cc(c1)F)CNCc2ccco2","InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2","","2020-03-16","2020-03-20","1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine","2020-03-25"],["C2G","[CYTIDINE-5'-PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER","C12 H21 N3 O13 P2","O=P(O)(OCC(O)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(CO)O)O)O","InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1","CYTIDINE 5'-DIPHOSPHOGLYCEROL","2002-10-29","2021-03-01","5'-O-[(S)-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine",""],["T0W","2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide","C15 H16 N4 O2","CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23;CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2","InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3","2-(1H-1,2,3-benzotriazol-1-yl)-N-ethyl-N-[(furan-3-yl)methyl]acetamide","2020-12-09","2022-02-18","2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide","2022-02-23"],["C2H","acetylene","C2 H2","C#C;C#C;C#C","InChI=1S/C2H2/c1-2/h1-2H","ethyne","2017-10-19","2020-06-17","ethyne","2018-01-10"],["T0X","4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid","C17 H11 Cl N2 O2","Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)c(c3)C#N;Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)C#N)Cl)C(=O)O","InChI=1S/C17H11ClN2O2/c1-9-13(17(21)22)7-14(12-4-5-20-16(9)12)10-2-3-15(18)11(6-10)8-19/h2-7,20H,1H3,(H,21,22)","","2022-12-20","2024-01-05","4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid","2024-01-10"],["C2I","9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3H-purin-6-one","C20 H22 N8 O14 P2","O[CH]1[CH]2O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]2O[CH]1n4cnc5C(=O)N=CNc45)n6cnc7C(=O)N=CNc67;c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O","InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8+,11-,12-,13-,14-,19+,20+/m0/s1","","2019-06-11","2020-06-12","9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{S},17~{R},18~{S})-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3~{H}-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3~{H}-purin-6-one","2020-06-17"],["T0Y","1-[(thiophen-3-yl)methyl]piperidin-4-ol","C10 H15 N O S","C1CN(CCC1O)Cc2cscc2;OC1CCN(CC1)Cc2cscc2;c1cscc1CN2CCC(CC2)O","InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2","","2020-03-16","2020-03-20","1-[(thiophen-3-yl)methyl]piperidin-4-ol","2020-03-25"],["C2J","N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide","C17 H15 N3 O2","c1(ccc(cc1)c4ccc3c(NC(C2CC2)=O)nnc3c4)O;Oc1ccc(cc1)c2ccc3c([nH]nc3c2)NC(=O)C4CC4;c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O","InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)","","2017-09-11","2017-12-22","N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide","2017-12-27"],["T10","[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER","C27 H28 N2 O5","O=C(CO)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)Cc3ccccc3;OCC(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3;c1ccc(cc1)CC(C(=O)CO)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C27H28N2O5/c30-18-25(31)23(16-20-10-4-1-5-11-20)28-26(32)24(17-21-12-6-2-7-13-21)29-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24,30H,16-19H2,(H,28,32)(H,29,33)/t23-,24-/m0/s1","","2002-08-14","2011-06-04","N-[(1S)-1-benzyl-3-hydroxy-2-oxopropyl]-Nalpha-[(benzyloxy)carbonyl]-L-phenylalaninamide",""],["C2K","(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide","C25 H23 Cl F3 N3 O4","FC(F)(F)c1ccc2C(=O)N[CH](Cc3ccc(OCCCCOc2c1)c(Cl)c3)C(=O)NC4(CC4)C#N;c1cc2c(cc1CC(NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)C#N)Cl","InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1","","2017-11-08","2025-02-18","(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide","2018-04-11"],["T11","4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-YL]-L-PHENYLALANINE","C11 H12 F3 N3 O2","O=C(O)C(N)Cc1ccc(cc1)C2(NN2)C(F)(F)F;N[CH](Cc1ccc(cc1)C2(NN2)C(F)(F)F)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C2(NN2)C(F)(F)F","InChI=1S/C11H12F3N3O2/c12-11(13,14)10(16-17-10)7-3-1-6(2-4-7)5-8(15)9(18)19/h1-4,8,16-17H,5,15H2,(H,18,19)/t8-/m0/s1","","2007-06-05","2011-06-04","4-[3-(trifluoromethyl)diaziridin-3-yl]-L-phenylalanine",""],["C2L","5-METHYL-3'-O-METHOXYETHYL CYTIDINE 5'-MONOPHOSPHATE","C13 H22 N3 O9 P","O=C1N=C(N)C(=CN1C2OC(C(OCCOC)C2O)COP(=O)(O)O)C;COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C)C(=NC2=O)N;CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OCCOC)O","InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-9(17)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2004-10-29","2011-06-04","3'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)",""],["T12","1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE","C22 H24 N4 O6","[O-][N+](=O)c1cccc(c1)C(=O)Nc3nc2cc(OC(=O)C(C)(C)C)ccc2n3CCCO;CC(C)(C)C(=O)Oc1ccc2n(CCCO)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1;CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-]","InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)","","2006-11-07","2011-06-04","1-(3-hydroxypropyl)-2-{[(3-nitrophenyl)carbonyl]amino}-1H-benzimidazol-5-yl 2,2-dimethylpropanoate",""],["C2M","5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE","C11 H10 Cl2 N4","Clc2ccc(c1c(nc(nc1C)N)N)cc2Cl;Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2;Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl","InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)","METOPRINE; METHODICHLOROPHEN","2005-09-01","2020-05-27","5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine",""],["T13","2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide","C13 H7 F6 N O3 S","Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F;COc1ccc(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F;COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F","InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3","","2009-05-28","2024-09-27","2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide",""],["C2N","3-chloro-D-alanine","C3 H6 Cl N O2","ClCC(N)C(=O)O;N[CH](CCl)C(O)=O;C(C(C(=O)O)N)Cl","InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1","3-CHLOROALANINATE","2004-08-30","2021-03-01","3-chloro-D-alanine",""],["T14","3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene","C23 H19 F6 N3 O","C(F)(F)(c1ccccc1c5cc(C(F)(F)F)c4nc(C=2CC3(ON=2)CCCCC3)nc4c5)F;FC(F)(F)c1cc(cc2nc([nH]c12)C3=NOC4(CCCCC4)C3)c5ccccc5C(F)(F)F;c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F","InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)","","2019-03-08","2019-09-13","3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene","2019-09-18"],["C2O","CU-O-CU LINKAGE","Cu2 O","[Cu]O[Cu];O([Cu])[Cu]","InChI=1S/2Cu.O","","1999-07-08","2011-06-04","cupriooxycopper",""],["T15","2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide","C26 H34 N6 O5 S","O=C(NC(C)(C)C)Cn1c(c(nc1)C)CNC(=O)CN3C(=CC=C(NS(=O)(=O)Cc2ccccc2)C3=O)C;CC1=CC=C(N[S](=O)(=O)Cc2ccccc2)C(=O)N1CC(=O)NCc3n(CC(=O)NC(C)(C)C)cnc3C;Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C","InChI=1S/C26H34N6O5S/c1-18-11-12-21(30-38(36,37)16-20-9-7-6-8-10-20)25(35)32(18)15-23(33)27-13-22-19(2)28-17-31(22)14-24(34)29-26(3,4)5/h6-12,17,30H,13-16H2,1-5H3,(H,27,33)(H,29,34)","","2008-01-31","2011-06-04","2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide",""],["C2P","CYTIDINE-2'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2OP(=O)(O)O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O[P](O)(O)=O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)OP(=O)(O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","2'-cytidylic acid",""],["C2Q","[(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","C22 H23 N2 O3 S","C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3ccc(C)c4ccccc34)C(O)=O;Cc1ccc(c2c1cccc2)CC3=CC(=O)N4C(CSC4=C3[NH+](C)C)C(=O)O","InChI=1S/C22H22N2O3S/c1-13-8-9-14(17-7-5-4-6-16(13)17)10-15-11-19(25)24-18(22(26)27)12-28-21(24)20(15)23(2)3/h4-9,11,18H,10,12H2,1-3H3,(H,26,27)/p+1/t18-/m0/s1","","2017-11-08","2018-04-27","[(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","2018-05-02"],["T16","BOROLOG2","C23 H32 B Br2 N3 O6","O=C(NC(B(O)O)CCC(Br)Br)C2N(C(=O)C(NC(=O)CCCC=O)Cc1ccccc1)CCC2;OB(O)[CH](CCC(Br)Br)NC(=O)[CH]1CCCN1C(=O)[CH](Cc2ccccc2)NC(=O)CCCC=O;B(C(CCC(Br)Br)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)CCCC=O)(O)O","InChI=1S/C23H32BBr2N3O6/c25-20(26)12-11-19(24(34)35)28-22(32)18-9-6-13-29(18)23(33)17(15-16-7-2-1-3-8-16)27-21(31)10-4-5-14-30/h1-3,7-8,14,17-20,34-35H,4-6,9-13,15H2,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1","","1999-07-08","2024-09-27","N-(5-oxopentanoyl)-L-phenylalanyl-N-[(1R)-4,4-dibromo-1-(dihydroxyboranyl)butyl]-L-prolinamide",""],["T17","{[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid","C42 H68 N6 O13","O=C(O)CNC(=O)CCCc1nnn(c1)CCCN3C(=O)OC4(C(OC(=O)C(C(=O)C(C(OC2OC(C)CC(N(C)C)C2O)C(OC)(C)CC(C(=O)C(C)C34)C)C)C)CC)C;CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3N(CCCn4cc(CCCC(=O)NCC(O)=O)nn4)C(=O)O[C]13C)OC;CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C","InChI=1S/C42H68N6O13/c1-12-30-42(8)36(48(40(56)61-42)18-14-17-47-22-28(44-45-47)15-13-16-31(49)43-21-32(50)51)25(4)33(52)23(2)20-41(7,57-11)37(26(5)34(53)27(6)38(55)59-30)60-39-35(54)29(46(9)10)19-24(3)58-39/h22-27,29-30,35-37,39,54H,12-21H2,1-11H3,(H,43,49)(H,50,51)/t23-,24-,25+,26+,27-,29+,30-,35-,36-,37-,39+,41-,42-/m1/s1","","2014-05-10","2024-09-27","{[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid (non-preferred name)","2014-10-01"],["C2R","5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID","C9 H14 N3 O9 P","O=C(O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O;Nc1n(cnc1C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)O","InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1","CAIR; 4-CARBOXY-5-AMINOIMIDAZOLE RIBONUCLEOTIDE","2006-04-25","2020-05-27","5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid",""],["T18","N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide","C25 H19 F2 N3 O6 S2","Fc1ccc(cc1)CN4c5ccc(F)cc5C(O)=C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)C4=O;C[S](=O)(=O)Nc1ccc2NC(=C[S](=O)(=O)c2c1)C3=C(O)c4cc(F)ccc4N(Cc5ccc(F)cc5)C3=O;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O","InChI=1S/C25H19F2N3O6S2/c1-37(33,34)29-17-7-8-19-22(11-17)38(35,36)13-20(28-19)23-24(31)18-10-16(27)6-9-21(18)30(25(23)32)12-14-2-4-15(26)5-3-14/h2-11,13,28-29,31H,12H2,1H3","","2009-02-26","2011-06-04","N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide",""],["C2S","CYTIDINE-5'-DITHIOPHOSPHORATE","C9 H14 N3 O5 P S2","O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(S)=S)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)S)O","InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1","","2001-11-02","2011-06-04","2'-deoxy-5'-O-[(dithiophosphono)]cytidine",""],["T19","PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-FORMYL-DIPHENYLMETHYL)METHY-PRO-BOROVAL","C32 H34 B N3 O6","O=C(c4cccn4C(=O)C(NC(=O)OCc1ccccc1)C(c2ccccc2)c3ccccc3)NC(B(O)O)C(C)C;CC(C)[CH](NC(=O)c1cccn1C(=O)[CH](NC(=O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)B(O)O;B(C(C(C)C)NC(=O)c1cccn1C(=O)C(C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O","InChI=1S/C32H34BN3O6/c1-22(2)29(33(40)41)35-30(37)26-19-12-20-36(26)31(38)28(34-32(39)42-21-23-13-6-3-7-14-23)27(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-20,22,27-29,40-41H,21H2,1-2H3,(H,34,39)(H,35,37)/t28-,29+/m1/s1","","1999-07-08","2012-04-02","[(1R)-1-{[(1-{N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-2-methylpropyl]boronic acid",""],["C2T","3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid","C7 H17 N2 O2","O=C(O)CCN[N+](C)(C)CC;CC[N+](C)(C)NCCC(O)=O;CC[N+](C)(C)NCCC(=O)O","InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1","","2013-04-02","2014-09-05","2-(2-carboxyethyl)-1-ethyl-1,1-dimethylhydrazinium","2014-04-16"],["T1A","TETRAETHYLARSONIUM ION","C8 H20 As","CC[As+](CC)(CC)CC;CC[As+](CC)(CC)CC;CC[As+](CC)(CC)CC","InChI=1S/C8H20As/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1","","2005-04-09","2011-06-04","tetraethylarsonium",""],["C2U","3,5-dichloro-2-hydroxybenzoic acid","C7 H4 Cl2 O3","Clc1cc(Cl)cc(C(=O)O)c1O;OC(=O)c1cc(Cl)cc(Cl)c1O;c1c(cc(c(c1C(=O)O)O)Cl)Cl","InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)","","2008-01-31","2011-06-04","3,5-dichloro-2-hydroxybenzoic acid",""],["T1B","5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole","C12 H13 N5","CCc1ccc2[nH]c(nc2c1)c3cnnn3C;CCc1ccc2c(c1)nc([nH]2)c3cnnn3C","InChI=1S/C12H13N5/c1-3-8-4-5-9-10(6-8)15-12(14-9)11-7-13-16-17(11)2/h4-7H,3H2,1-2H3,(H,14,15)","","2020-12-10","2021-10-15","5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole","2021-10-20"],["C2V","N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide","C21 H21 N5 O S","c2c(nn3c(c1cccc(C(=O)NCCN(C)C)c1)cnc3c2)c4sccc4;CN(C)CCNC(=O)c1cccc(c1)c2cnc3ccc(nn23)c4sccc4;CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4","InChI=1S/C21H21N5OS/c1-25(2)11-10-22-21(27)16-6-3-5-15(13-16)18-14-23-20-9-8-17(24-26(18)20)19-7-4-12-28-19/h3-9,12-14H,10-11H2,1-2H3,(H,22,27)","","2017-09-11","2017-11-10","N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide","2017-11-15"],["V0C","(2S)-(4-bromophenyl)(piperazin-1-yl)acetonitrile","C12 H14 Br N3","Brc1ccc(cc1)C(C#N)N1CCNCC1;Brc1ccc(cc1)[CH](C#N)N2CCNCC2;c1cc(ccc1C(C#N)N2CCNCC2)Br","InChI=1S/C12H14BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2/t12-/m1/s1","","2022-08-29","2022-10-28","(2S)-(4-bromophenyl)(piperazin-1-yl)acetonitrile","2022-11-02"],["C2W","(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide","C25 H26 Cl N3 O5","COc1ccc2OCCCCOc3ccc(C[CH](NC(=O)c2c1)C(=O)NC4(CC4)C#N)cc3Cl;COc1ccc2c(c1)C(=O)NC(Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N","InChI=1S/C25H26ClN3O5/c1-32-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)34-11-3-2-10-33-21/h4-7,12,14,20H,2-3,8-11,13H2,1H3,(H,28,30)(H,29,31)/t20-/m0/s1","","2017-11-09","2018-04-06","(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide","2018-04-11"],["V0D","7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","C20 H23 F N4","C1N(CCCCC1)c4n2c(c(cn2)c3ccc(cc3)F)nc(c4)CC;CCc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1;CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4","InChI=1S/C20H23FN4/c1-2-17-13-19(24-11-5-3-4-6-12-24)25-20(23-17)18(14-22-25)15-7-9-16(21)10-8-15/h7-10,13-14H,2-6,11-12H2,1H3","","2020-06-09","2021-07-30","7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","2021-08-04"],["C2X","9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one)","C51 H72 N21 O29 P5","O=P7(O)OCC%13OC(n1c2ncnc(c2nc1)N)C(OC)C%13OP(=O)(O)ONOCCCCCCOP(=O)(O)OCC%12OC(n3c4NC(=NC(=O)c4nc3)N)C(OC)C%12OP(=O)(O)OCC%11C(OP(=O)(O)OCC8OC(n5c6NC(=NC(=O)c6nc5)N)C(OC)C8O7)CN(Cc%10c9ncnc(c9nc%10)N)C%11;CO[CH]1[CH]2O[P](O)(=O)OC[CH]3CN(C[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](OC)[CH]4O[P](O)(=O)OC[CH]5O[CH]([CH](OC)[CH]5O[P](O)(=O)ONOCCCCCCO[P](O)(=O)OC[CH]2O[CH]1n6cnc7C(=O)N=C(N)Nc67)n8cnc9c(N)ncnc89)n%10cnc%11C(=O)N=C(N)Nc%10%11)Cc%12c[nH]c%13c(N)ncnc%12%13;COC1C2C(COP(=O)(OCCCCCCONOP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5CN(CC5COP(=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)OC(C4OC)n8cnc9c8NC(=NC9=O)N)O)OC(C3OC)n2cnc3c2ncnc3N)O)O)OC1n1cnc2c1NC(=NC2=O)N","InChI=1S/C51H72N21O29P5/c1-85-37-34-26(95-48(37)71-21-62-32-43(71)64-50(54)66-45(32)73)15-91-102(75,76)89-9-7-5-4-6-8-88-68-101-106(83,84)100-36-28(94-47(39(36)87-3)70-20-61-31-41(53)59-19-60-42(31)70)17-93-105(81,82)99-35-27(96-49(38(35)86-2)72-22-63-33-44(72)65-51(55)67-46(33)74)16-92-103(77,78)97-25-13-69(12-24(25)14-90-104(79,80)98-34)11-23-10-56-30-29(23)57-18-58-40(30)52/h10,18-22,24-28,34-39,47-49,56,68H,4-9,11-17H2,1-3H3,(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H2,52,57,58)(H2,53,59,60)(H3,54,64,66,73)(H3,55,65,67,74)/t24-,25+,26-,27-,28-,34-,35-,36-,37-,38-,39-,47-,48-,49-/m1/s1","","2009-05-22","2011-06-04","9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one)",""],["V0E","2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile","C19 H16 Cl N3 O3","O[CH](COc1ccc(CC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O;c1cc(ccc1CC#N)OCC(CN2C=Nc3ccc(cc3C2=O)Cl)O","InChI=1S/C19H16ClN3O3/c20-14-3-6-18-17(9-14)19(25)23(12-22-18)10-15(24)11-26-16-4-1-13(2-5-16)7-8-21/h1-6,9,12,15,24H,7,10-11H2/t15-/m0/s1","2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile","2021-03-31","2022-04-08","2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile","2022-04-13"],["C2Y","methyl 1H-indole-3-carboxylate","C10 H9 N O2","c12ncc(c1cccc2)C(=O)OC;COC(=O)c1c[nH]c2ccccc12;COC(=O)c1c[nH]c2c1cccc2","InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3","","2017-09-11","2018-02-16","methyl 1H-indole-3-carboxylate","2018-02-21"],["V0F","(4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione","C18 H23 N O4","C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)N1;CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)N1)O)O","InChI=1S/C18H23NO4/c1-12-6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)19-12/h3,7,10-12,21-22H,2,4-6,8-9H2,1H3,(H,19,23)/b7-3+/t12-/m0/s1","","2023-02-20","2024-02-16","(4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione","2024-02-21"],["C2Z","5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid","C7 H6 N O6 P","OP(c1ccc(o1)c2cc(O)on2)(O)=O;Oc1onc(c1)c2oc(cc2)[P](O)(O)=O;c1cc(oc1c2cc(on2)O)P(=O)(O)O","InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)","[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid","2015-04-27","2020-06-17","[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid","2016-03-09"],["V0G","N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide","C31 H30 Cl N7 O2","c1c(ccc(c1)NC(=O)CCCN(C)C)C(=O)Nc2cccc(c2)Nc3nc(c(Cl)cn3)c4c5c(nc4)cccc5;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45)c2;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl","InChI=1S/C31H30ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-5,7-10,12-15,17-19,33H,6,11,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)","","2020-06-10","2024-09-27","N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide","2020-09-09"],["C30","2-(acetylamino)-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose","C38 H65 N O12 P2","CC(=CCC/C(C)=C/CCC(C)=[C@H]CC/C(C)=C/CCC(=[C@H]CCC(=C/COP(O)(=O)OP(=O)(O)OC1C(C(C(C(CO)O1)O)O)NC(C)=O)C)C)C;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C)C)C","InChI=1S/C38H65NO12P2/c1-27(2)14-9-15-28(3)16-10-17-29(4)18-11-19-30(5)20-12-21-31(6)22-13-23-32(7)24-25-48-52(44,45)51-53(46,47)50-38-35(39-33(8)41)37(43)36(42)34(26-40)49-38/h14,16,18,20,22,24,34-38,40,42-43H,9-13,15,17,19,21,23,25-26H2,1-8H3,(H,39,41)(H,44,45)(H,46,47)/b28-16+,29-18+,30-20+,31-22-,32-24-/t34-,35-,36-,37-,38-/m1/s1","","2018-10-09","2018-10-12","2-(acetylamino)-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose","2018-10-17"],["V0H","2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile","C19 H16 Cl N3 O4","O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O;c1cc(ccc1OCC#N)OCC(CN2C=Nc3ccc(cc3C2=O)Cl)O","InChI=1S/C19H16ClN3O4/c20-13-1-6-18-17(9-13)19(25)23(12-22-18)10-14(24)11-27-16-4-2-15(3-5-16)26-8-7-21/h1-6,9,12,14,24H,8,10-11H2/t14-/m0/s1","2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile","2021-03-31","2022-04-08","2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile","2022-04-13"],["C31","2'-O-3-AMINOPROPYL CYTIDINE-5'-MONOPHOSPHATE","C12 H21 N4 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2OCCCN)COP(=O)(O)O;NCCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)OCCCN","InChI=1S/C12H21N4O8P/c13-3-1-5-22-10-9(17)7(6-23-25(19,20)21)24-11(10)16-4-2-8(14)15-12(16)18/h2,4,7,9-11,17H,1,3,5-6,13H2,(H2,14,15,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1","","1999-12-02","2011-06-04","2'-O-(3-aminopropyl)cytidine 5'-(dihydrogen phosphate)",""],["V0I","8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(dimethylsulfamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine","C26 H35 N13 O8 S","CN(C)[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56;CN(C)S(=O)(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#CCN(C)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O","InChI=1S/C26H35N13O8S/c1-36(2)48(44,45)34-7-12-17(40)20(43)26(46-12)39-14(35-16-22(28)30-10-32-24(16)39)5-4-6-37(3)8-13-18(41)19(42)25(47-13)38-11-33-15-21(27)29-9-31-23(15)38/h9-13,17-20,25-26,34,40-43H,6-8H2,1-3H3,(H2,27,29,31)(H2,28,30,32)/t12-,13+,17-,18-,19-,20-,25+,26+/m1/s1","","2023-09-07","2025-03-14","8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(dimethylsulfamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine","2025-03-19"],["C32","5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H13 Br N3 O7 P","BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1Br)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O","InChI=1/C9H13BrN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h16-17H,11H2","","1997-10-01","2009-01-07","5-bromo-2'-deoxycytidine 5'-(dihydrogen phosphate)",""],["V0J","(2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid","C39 H41 N7 O4","C(C(N1C(C(=O)O)CN(CC1)C(N(Cc2ccc(cc2)c4c(c3nnnn3)cccc4)CCCC)=O)=O)(c5ccccc5)(c6ccccc6)C;CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([CH](C4)C(O)=O)C(=O)C(C)(c5ccccc5)c6ccccc6;CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN(C(C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6","InChI=1S/C39H41N7O4/c1-3-4-23-44(26-28-19-21-29(22-20-28)32-17-11-12-18-33(32)35-40-42-43-41-35)38(50)45-24-25-46(34(27-45)36(47)48)37(49)39(2,30-13-7-5-8-14-30)31-15-9-6-10-16-31/h5-22,34H,3-4,23-27H2,1-2H3,(H,47,48)(H,40,41,42,43)/t34-/m1/s1","","2020-06-10","2020-09-18","(2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid","2020-09-23"],["C33","2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3","C30 H50 O3","OC1CC(C(=C)C(O)C1CCC)=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23;CCC[CH]1[CH](O)CC(=CC=C2CCC[C]3(C)[CH](CC[CH]23)[CH](C)CCCC(C)(C)O)C(=C)[CH]1O;CCCC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)O","InChI=1S/C30H50O3/c1-7-10-24-27(31)19-23(21(3)28(24)32)14-13-22-12-9-18-30(6)25(15-16-26(22)30)20(2)11-8-17-29(4,5)33/h13-14,20,24-28,31-33H,3,7-12,15-19H2,1-2,4-6H3/b22-13+,23-14-/t20-,24+,25-,26+,27-,28-,30-/m1/s1","9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-PROPYL-,(1A,2A,3B,5Z,7E)","2006-06-16","2021-03-13","(1S,2S,3R,5Z,7E,14beta,17alpha)-2-propyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["V0K","1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide","C34 H26 F2 N6 O4","CC1=CC=C(C(=O)N[CH](C(=O)Nc2ccc3NC(=O)C(=Cc4[nH]cnc4)c3c2)c5ccccc5)C(=O)N1Cc6ccc(F)c(F)c6;CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)NC(c3ccccc3)C(=O)Nc4ccc5c(c4)C(=Cc6cnc[nH]6)C(=O)N5","InChI=1S/C34H26F2N6O4/c1-19-7-10-24(34(46)42(19)17-20-8-11-27(35)28(36)13-20)31(43)41-30(21-5-3-2-4-6-21)33(45)39-22-9-12-29-25(14-22)26(32(44)40-29)15-23-16-37-18-38-23/h2-16,18,30H,17H2,1H3,(H,37,38)(H,39,45)(H,40,44)(H,41,43)/b26-15+/t30-/m1/s1","","2021-04-01","2021-10-15","1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide","2021-10-20"],["C34","N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C10 H16 N3 O7 P","O=C1N=C(NC)C=CN1C2OC(C(O)C2)COP(=O)(O)O;CNC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CNC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O7P/c1-11-8-2-3-13(10(15)12-8)9-4-6(14)7(20-9)5-19-21(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","","1994-01-31","2011-06-04","2'-deoxy-N-methylcytidine 5'-(dihydrogen phosphate)",""],["C35","N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE","C37 H51 Cl F N11 O5","Fc1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c2nc(n(n2)c3ccc(Cl)cc3)C)CCC/N=C(N)N)CC(C)C)C(C)CC;CC[CH](C)[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CCCN=C(N)N)NC(=O)c1nn(c(C)n1)c2ccc(Cl)cc2)C(=O)N[CH](Cc3ccc(F)cc3)C(N)=O;CCC(C)C(C(=O)NC(Cc1ccc(cc1)F)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C","InChI=1S/C37H51ClFN11O5/c1-6-21(4)30(35(54)46-28(31(40)51)19-23-9-13-25(39)14-10-23)48-34(53)29(18-20(2)3)47-33(52)27(8-7-17-43-37(41)42)45-36(55)32-44-22(5)50(49-32)26-15-11-24(38)12-16-26/h9-16,20-21,27-30H,6-8,17-19H2,1-5H3,(H2,40,51)(H,45,55)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t21-,27-,28-,29-,30-/m0/s1","","2007-05-31","2011-06-04","N~2~-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]carbonyl}-N~5~-(diaminomethylidene)-L-ornithyl-L-leucyl-L-isoleucyl-4-fluoro-L-phenylalaninamide",""],["V0L","volitinib","C17 H15 N9","C[CH](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nccn5c4;CC(c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3","InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1","","2016-06-17","2017-11-24","3-[(1~{S})-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazine","2017-11-29"],["V0M","2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","C24 H20 Cl2 N2 O3","C4(NC(=O)Cc2c(Nc1c(cccc1Cl)Cl)cccc2)(Cc3ccccc3C4)C(=O)O;OC(=O)C1(Cc2ccccc2C1)NC(=O)Cc3ccccc3Nc4c(Cl)cccc4Cl;c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl","InChI=1S/C24H20Cl2N2O3/c25-18-9-5-10-19(26)22(18)27-20-11-4-3-6-15(20)12-21(29)28-24(23(30)31)13-16-7-1-2-8-17(16)14-24/h1-11,27H,12-14H2,(H,28,29)(H,30,31)","","2020-06-10","2020-09-18","2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid","2020-09-23"],["C36","5-METHYL-5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C10 H17 F N3 O8 P","O=C1N=C(N)C(F)(CN1C2OC(C(O)C2)COP(=O)(O)O)CO;NC1=NC(=O)N(C[C]1(F)CO)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2CC(C(=NC2=O)N)(CO)F)COP(=O)(O)O)O","InChI=1S/C10H17FN3O8P/c11-10(4-15)3-14(9(17)13-8(10)12)7-1-5(16)6(22-7)2-21-23(18,19)20/h5-7,15-16H,1-4H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7+,10+/m0/s1","","1995-06-03","2024-09-27","2'-deoxy-5-fluoro-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)",""],["V0N","2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide","C17 H25 F N2 O4","CNC(=O)C[CH]1[CH](O)[CH](O)[CH](CO)N1CCCc2ccc(F)cc2;CNC(=O)CC1C(C(C(N1CCCc2ccc(cc2)F)CO)O)O","InChI=1S/C17H25FN2O4/c1-19-15(22)9-13-16(23)17(24)14(10-21)20(13)8-2-3-11-4-6-12(18)7-5-11/h4-7,13-14,16-17,21,23-24H,2-3,8-10H2,1H3,(H,19,22)/t13-,14-,16+,17-/m1/s1","","2015-08-06","2015-11-13","2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide","2015-11-18"],["C37","5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H13 F N3 O7 P","FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1F)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O","InChI=1S/C9H13FN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","1995-06-03","2011-06-04","2'-deoxy-5-fluorocytidine 5'-(dihydrogen phosphate)",""],["V0O","ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate","C9 H12 N2 O2 S","O=C(OCC)c1csc(NC2CC2)n1;CCOC(=O)c1csc(NC2CC2)n1;CCOC(=O)c1csc(n1)NC2CC2","InChI=1S/C9H12N2O2S/c1-2-13-8(12)7-5-14-9(11-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)","","2022-08-29","2022-10-28","ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate","2022-11-02"],["C38","5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H13 I N3 O7 P","IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1I)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O","InChI=1S/C9H13IN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","1997-03-12","2011-06-04","2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate)",""],["V0P","7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine","C24 H25 N5 O2","c1(nc(ccc1)CNCCOc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N;Nc1cccc(CNCCOc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1;c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N","InChI=1S/C24H25N5O2/c25-23-6-1-3-19(28-23)15-27-11-12-30-20-4-2-5-21(14-20)31-16-17-7-8-18-9-10-24(26)29-22(18)13-17/h1-10,13-14,27H,11-12,15-16H2,(H2,25,28)(H2,26,29)","","2020-06-10","2021-06-11","7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine","2021-06-16"],["C39","N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE","C27 H47 N3 O5","O=C(NCCCC)C(C)CC(O)C(N)CC(C(C)C)CNC(=O)c1ccccc1OCCCOC;CCCCNC(=O)[CH](C)C[CH](O)[CH](N)C[CH](CNC(=O)c1ccccc1OCCCOC)C(C)C;CCCCNC(=O)C(C)CC(C(CC(CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O","InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,23+,24+/m1/s1","","2007-05-21","2011-06-04","N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide",""],["V0Q","[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol","C13 H20 N2 O3 S","CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2;CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO","InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3","","2021-04-01","2024-09-27","[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol","2021-06-09"],["C3A","ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE","C31 H35 N5 O5","O=C(c1nc(on1)Cc4ccc(C(=O)NC3Cc2ccccc2C3)cc4)C(NC(=O)OCC=C)CCC5CCNC5;C=CCOC(=O)N[CH](CC[CH]1CCNC1)C(=O)c2noc(Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4)n2;C=CCOC(=O)NC(CCC1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4","InChI=1S/C31H35N5O5/c1-2-15-40-31(39)34-26(12-9-21-13-14-32-19-21)28(37)29-35-27(41-36-29)16-20-7-10-22(11-8-20)30(38)33-25-17-23-5-3-4-6-24(23)18-25/h2-8,10-11,21,25-26,32H,1,9,12-19H2,(H,33,38)(H,34,39)/t21-,26-/m1/s1","","2006-01-24","2024-09-27","prop-2-en-1-yl {(1R)-1-({5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}carbonyl)-3-[(3R)-pyrrolidin-3-yl]propyl}carbamate",""],["V0R","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol","C17 H16 N2 O3","Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3;Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O","InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m1/s1","","2023-02-20","2023-07-28","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol","2023-08-02"],["C3B","4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one","C10 H15 N3 O6","O=C1N=C(N)C=CN1C2OC(C(O)C(O)C2O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-8(17)7(16)6(15)4(3-14)19-9/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6-,7+,8-,9-/m1/s1","1-D-glucopyranosyl-cytosine; 4-amino-1-beta-D-glucosylpyrimidin-2(1H)-one; 4-amino-1-D-glucosylpyrimidin-2(1H)-one;\n4-amino-1-glucosylpyrimidin-2(1H)-one","2007-11-16","2020-07-17","4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one",""],["V0S","3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide","C28 H28 Cl N3 O S","C5(CCC(N(C(c2c(c1c(cccc1)s2)Cl)=O)Cc3cccc(c3)c4ccncc4)CC5)NC;CN[CH]1CC[CH](CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4sc5ccccc5c4Cl;CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl","InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-","","2020-06-11","2020-09-25","3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide","2020-09-30"],["C3D","(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL","C28 H31 N O2","O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5;Oc1ccc2[CH]([CH](CCc2c1)c3ccccc3)c4ccc(OCCN5CCCC5)cc4;c1ccc(cc1)C2CCc3cc(ccc3C2c4ccc(cc4)OCCN5CCCC5)O","InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1","Lasofoxifene","2007-02-21","2020-06-17","(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol",""],["V0T","1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol","C12 H17 N O4 S","OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2;c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O","InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2","","2021-04-01","2024-09-27","1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol","2021-06-09"],["C3E","(3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide","C24 H22 Cl N3 O4","Clc1cc2C[CH](NC(=O)c3ccccc3OCC=CCOc1cc2)C(=O)NC4(CC4)C#N;c1ccc2c(c1)C(=O)NC(Cc3ccc(c(c3)Cl)OCC=CCO2)C(=O)NC4(CC4)C#N","InChI=1S/C24H22ClN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1","","2017-11-09","2024-09-27","(3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide","2018-04-11"],["V0U","(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione","C26 H29 N3 O3","COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](Cc5ccccc5)C4=O)c1;CC(C)CC1c2c(c3ccc(cc3[nH]2)OC)CC4N1C(=O)C(NC4=O)Cc5ccccc5","InChI=1S/C26H29N3O3/c1-15(2)11-22-24-19(18-10-9-17(32-3)13-20(18)27-24)14-23-25(30)28-21(26(31)29(22)23)12-16-7-5-4-6-8-16/h4-10,13,15,21-23,27H,11-12,14H2,1-3H3,(H,28,30)","","2023-09-07","2024-11-01","(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione","2024-11-06"],["C3F","3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid","C16 H17 N5 O4","O=C(O)NCCCN2C3=NC(=O)NC(=O)C3=Nc1cc(c(cc12)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCNC(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O","InChI=1S/C16H17N5O4/c1-8-6-10-11(7-9(8)2)21(5-3-4-17-16(24)25)13-12(18-10)14(22)20-15(23)19-13/h6-7,17H,3-5H2,1-2H3,(H,24,25)(H,20,22,23)","","2012-07-16","2014-09-05","[3-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)propyl]carbamic acid","2013-05-29"],["V0V","(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)","C25 H40 N7 O19 P3 S","c3n(C1OC(C(C1O)OP(O)(O)=O)COP(O)(=O)OP(O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS/C(O)=C(/C(O)=O)C)=O)c2ncnc(c2n3)N;CC(C(O)=O)=C(O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=C(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O","InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-11,13,16-18,22,34-35,39H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/b24-12+/t13-,16-,17-,18+,22-/m1/s1","","2020-06-11","2020-07-03","(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)","2020-07-08"],["C3G","4-nitrophenyl beta-D-glucopyranosiduronic acid","C12 H13 N O9","C(=O)(O)C1C(C(C(C(O1)Oc2ccc([N+](=O)[O-])cc2)O)O)O;O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O","InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1","4-nitrophenyl beta-D-glucosiduronic acid; 4-nitrophenyl D-glucosiduronic acid; 4-nitrophenyl glucosiduronic acid","2017-09-11","2020-07-17","4-nitrophenyl beta-D-glucopyranosiduronic acid","2017-12-20"],["V0W","1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane","C13 H20 N2 O2 S","CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2;Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C","InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3","","2021-04-01","2024-09-27","1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane","2021-06-09"],["C3H","2-[[(2~{R})-2-azanyl-3-[(3~{S})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid","C12 H24 N2 O4 S","CCC[C](C)(CCO)SC[CH](N)C(=O)NCC(O)=O;CCCC(C)(CCO)SCC(C(=O)NCC(=O)O)N","InChI=1S/C12H24N2O4S/c1-3-4-12(2,5-6-15)19-8-9(13)11(18)14-7-10(16)17/h9,15H,3-8,13H2,1-2H3,(H,14,18)(H,16,17)/t9-,12-/m0/s1","","2017-11-09","2018-06-22","2-[[(2~{R})-2-azanyl-3-[(3~{S})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid","2018-06-27"],["V0X","(3R)-2,3-dihydro-1-benzofuran-3-amine","C8 H9 N O","NC1COc2ccccc21;N[CH]1COc2ccccc12;c1ccc2c(c1)C(CO2)N","InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1","","2022-08-29","2022-10-28","(3R)-2,3-dihydro-1-benzofuran-3-amine","2022-11-02"],["C3I","N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide","C22 H26 N2 O3","O=C(N(C)CC(=O)Nc1ccc(OC)cc1)C1(CCCC1)c1ccccc1;COc1ccc(NC(=O)CN(C)C(=O)C2(CCCC2)c3ccccc3)cc1;CN(CC(=O)Nc1ccc(cc1)OC)C(=O)C2(CCCC2)c3ccccc3","InChI=1S/C22H26N2O3/c1-24(16-20(25)23-18-10-12-19(27-2)13-11-18)21(26)22(14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,23,25)","","2021-11-18","2022-11-04","N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide","2022-11-09"],["V0Y","4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile","C24 H23 F2 N5 O2","N#Cc1c(cc(cc1)C=3N=C(N2CCC(N)CC2)N(C(C=3c4cc(F)c(OC)cc4)=O)C)F;COc1ccc(cc1F)C2=C(N=C(N(C)C2=O)N3CCC(N)CC3)c4ccc(C#N)c(F)c4;CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC","InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3","","2020-06-11","2020-10-16","4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile","2020-10-21"],["C3J","5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide","C24 H23 F2 N5 O","c2c1c(c(cn1)C(NC)=O)cc(c2)N5CCCc4c5cc(C(F)F)c(c3cnn(c3)C)c4;CNC(=O)c1c[nH]c2ccc(cc12)N3CCCc4cc(c5cnn(C)c5)c(cc34)C(F)F;CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F","InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32)","","2017-09-11","2018-02-16","5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide","2018-02-21"],["C3K","(3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide","C25 H35 N5 O4","CCC(=O)NC[CH]1CC[CH]2C=C[CH](N2C(=O)[CH]1NC(=O)[CH](C)NC)C(=O)NCc3ccccc3;CCC(=O)NCC1CCC2C=CC(N2C(=O)C1NC(=O)C(C)NC)C(=O)NCc3ccccc3","InChI=1S/C25H35N5O4/c1-4-21(31)27-15-18-10-11-19-12-13-20(24(33)28-14-17-8-6-5-7-9-17)30(19)25(34)22(18)29-23(32)16(2)26-3/h5-9,12-13,16,18-20,22,26H,4,10-11,14-15H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/t16-,18+,19-,20-,22-/m0/s1","","2017-11-10","2024-09-27","(3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide","2018-08-08"],["V0Z","N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide","C14 H13 N5 O2","CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3;CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(cc3)N","InChI=1S/C14H13N5O2/c1-8-11(7-16-12-6-13(20)18-19(8)12)14(21)17-10-4-2-9(15)3-5-10/h2-7H,15H2,1H3,(H,17,21)(H,18,20)","~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide; N-(4-aminophenyl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide","2021-04-01","2023-02-10","~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide","2023-02-15"],["V10","N^6^-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine","C13 H22 N2 O7 S2","O=C(O)C(OC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)CSC;CSC[CH](OC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CSCC(C(=O)O)OC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C13H22N2O7S2/c1-24-6-9(12(19)20)22-13(21)8(5-23)15-10(16)4-2-3-7(14)11(17)18/h7-9,23H,2-6,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t7-,8-,9-/m0/s1","","2007-09-10","2011-06-04","N~6~-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["C3L","2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid","C18 H26 O6","C[CH](O)CCC[CH](O)CCCC=Cc1cc(O)cc(O)c1C(O)=O;CC(CCCC(CCCC=Cc1cc(cc(c1C(=O)O)O)O)O)O","InChI=1S/C18H26O6/c1-12(19)6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)24/h3,7,10-12,14,19-22H,2,4-6,8-9H2,1H3,(H,23,24)/b7-3+/t12-,14+/m0/s1","","2019-04-05","2020-04-03","2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid","2020-04-08"],["V11","[(1S,5R)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE","C22 H25 N O3","O[CH](CN1[CH]2CC[CH]1CC(C2)OC(=O)c3ccccc3)c4ccccc4;c1ccc(cc1)C(CN2C3CCC2CC(C3)OC(=O)c4ccccc4)O","InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m0/s1","","2011-01-12","2011-06-10","[(1S,5R)-8-[(2R)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate",""],["C3M","N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE","C20 H22 N2 O3 S","O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3;N[CH](Cc1ccccc1)[CH](O)CN[S](=O)(=O)c2ccc3ccccc3c2;c1ccc(cc1)CC(C(CNS(=O)(=O)c2ccc3ccccc3c2)O)N","InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1","INHIBITOR OF THROMBIN","2005-12-08","2021-03-01","N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide",""],["C3O","2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3","C30 H50 O4","O(CCC)C3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C;CCCO[CH]1[CH](O)CC(=CC=C2CCC[C]3(C)[CH](CC[CH]23)[CH](C)CCCC(C)(C)O)C(=C)[CH]1O;CCCOC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)O","InChI=1S/C30H50O4/c1-7-18-34-28-26(31)19-23(21(3)27(28)32)13-12-22-11-9-17-30(6)24(14-15-25(22)30)20(2)10-8-16-29(4,5)33/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b22-12+,23-13-/t20-,24-,25+,26-,27-,28+,30-/m1/s1","9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-PROPOXY-,(1A,2A,3B,5Z,7E)","2006-06-19","2021-03-13","(1R,2S,3R,5Z,7E,14beta,17alpha)-2-propoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["V12","5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE","C18 H20 N6 O5","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)Cc3nc4ccccc4n3;NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)Cc3[nH]c4ccccc4n3)[CH](O)[CH]2O;c1ccc2c(c1)[nH]c(n2)CC(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","InChI=1S/C18H20N6O5/c19-12-5-6-24(18(28)23-12)17-16(27)15(26)11(29-17)8-20-14(25)7-13-21-9-3-1-2-4-10(9)22-13/h1-6,11,15-17,26-27H,7-8H2,(H,20,25)(H,21,22)(H2,19,23,28)/t11-,15-,16-,17-/m1/s1","","2007-06-07","2011-06-04","5'-[(1H-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine",""],["V13","2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","C8 H7 F4 N O5 S2","Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S(=O)(=O)CCO;N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO;C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O","InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)","","2012-11-08","2013-04-05","2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","2013-04-10"],["C3P","CYTIDINE-3'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](O)(O)=O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","3'-cytidylic acid",""],["V14","3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","C16 H23 F3 N2 O5 S2","O=S(=O)(N)c2c(F)c(NC1CCCCCCC1)c(c(F)c2F)S(=O)(=O)CCO;N[S](=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)[S](=O)(=O)CCO;C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F","InChI=1S/C16H23F3N2O5S2/c17-11-12(18)16(27(23,24)9-8-22)14(13(19)15(11)28(20,25)26)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,25,26)","","2014-04-10","2015-01-23","3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","2015-01-28"],["C3Q","N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide","C33 H49 N3 O3 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CCC35CC4CC(CC(C3)C4)C5;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)CC[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4","InChI=1S/C33H49N3O3S/c1-36(2)30-13-9-12-29-28(30)11-10-14-31(29)40(38,39)35-18-8-6-4-3-5-7-17-34-32(37)15-16-33-22-25-19-26(23-33)21-27(20-25)24-33/h9-14,25-27,35H,3-8,15-24H2,1-2H3,(H,34,37)/t25-,26+,27-,33+","","2010-10-12","2011-06-04","N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide",""],["V15","2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE","C12 H13 N3 O","O=C1C=C(N=C(N)N1)CCc2ccccc2;NC1=NC(=CC(=O)N1)CCc2ccccc2;c1ccc(cc1)CCC2=CC(=O)NC(=N2)N","InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)","","2007-05-04","2011-06-04","2-amino-6-(2-phenylethyl)pyrimidin-4(3H)-one",""],["C3R","Carolacton","C25 H40 O8","CO[CH](CC(O)=O)[CH](C)C(=O)[CH](C)C=C(C)[CH]1OC(=O)[CH](O)[CH](O)C=C[CH](C)CCC[CH]1C;CC1CCCC(C(OC(=O)C(C(C=C1)O)O)C(=CC(C)C(=O)C(C)C(CC(=O)O)OC)C)C","InChI=1S/C25H40O8/c1-14-8-7-9-15(2)24(33-25(31)23(30)19(26)11-10-14)17(4)12-16(3)22(29)18(5)20(32-6)13-21(27)28/h10-12,14-16,18-20,23-24,26,30H,7-9,13H2,1-6H3,(H,27,28)/b11-10+,17-12+/t14-,15+,16-,18-,19-,20-,23-,24+/m1/s1","","2017-05-19","2019-09-04","(~{E},3~{R},4~{R},6~{R})-8-[(2~{S},3~{S},7~{R},8~{E},10~{R},11~{R})-3,7-dimethyl-10,11-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxidanylidene-non-7-enoic acid","2018-02-28"],["V16","N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide","C12 H18 N2 O","N(c1ccc(cc1C)CCCC)[C@H]=NO;CCCCc1ccc(NC=NO)c(C)c1;CCCCc1ccc(c(c1)C)NC=NO","InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)","","2018-01-26","2018-06-15","N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide","2018-06-20"],["C3S","CHOLEST-5-EN-3-YL HYDROGEN SULFATE","C27 H46 O4 S","O=S(=O)(O)OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](O)(=O)=O;CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C","InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1","CHOLESTEROL-SULFATE","2004-01-23","2021-03-01","(3alpha,8alpha,17alpha)-cholest-5-en-3-yl hydrogen sulfate",""],["V17","(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone","C28 H29 N5 O S","C1(CCN(CC1)C(c2ccc(cc2)Nc3nccc(n3)c4cc5c(s4)cccc5)=O)N6CCCC6;O=C(N1CCC(CC1)N2CCCC2)c3ccc(Nc4nccc(n4)c5sc6ccccc6c5)cc3;c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6","InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)","","2020-06-12","2021-07-30","(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone","2021-08-04"],["C3T","(3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide","C27 H42 N4 O4","CC[CH](NC)C(=O)N[CH]1[CH](CO)CC[CH]2CC[CH](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C;CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC","InChI=1S/C27H42N4O4/c1-6-21(28-5)24(33)30-23-18(16-32)9-12-20-13-14-22(31(20)26(23)35)25(34)29-15-17-7-10-19(11-8-17)27(2,3)4/h7-8,10-11,18,20-23,28,32H,6,9,12-16H2,1-5H3,(H,29,34)(H,30,33)/t18-,20+,21+,22+,23+/m1/s1","","2017-11-10","2018-08-03","(3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide","2018-08-08"],["V18","2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione","C19 H19 N3 O2","O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45;c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O","InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19-","","2021-04-06","2022-02-18","2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione","2022-02-23"],["C3U","1-chloranyl-2-methyl-benzene","C7 H7 Cl","Cc1ccccc1Cl;Cc1ccccc1Cl","InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3","1-Chloro-2-methylbenzene","2019-04-10","2022-06-17","1-chloranyl-2-methyl-benzene","2022-06-22"],["V19","4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one","C21 H19 Br N2 O5","OC[CH]1OC=C[CH](OCN2N=C(c3ccc(Br)cc3)c4ccccc4C2=O)[CH]1O;c1ccc2c(c1)C(=NN(C2=O)COC3C=COC(C3O)CO)c4ccc(cc4)Br","InChI=1S/C21H19BrN2O5/c22-14-7-5-13(6-8-14)19-15-3-1-2-4-16(15)21(27)24(23-19)12-29-17-9-10-28-18(11-25)20(17)26/h1-10,17-18,20,25-26H,11-12H2/t17-,18-,20-/m1/s1","","2023-02-20","2024-02-23","4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one","2024-02-28"],["C3V","5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one","C22 H20 F2 N4 O S","c1(cn(C)nc1)c2cc3CCCN(c3cc2C(F)F)c4cc5c(cc4)SC(N5C)=O;Cn1cc(cn1)c2cc3CCCN(c4ccc5SC(=O)N(C)c5c4)c3cc2C(F)F;Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C","InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3","","2017-09-11","2018-02-16","5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one","2018-02-21"],["V1A","S-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate","C8 H15 N2 O3 S2","ON1C(C(SS(=O)(=O)C)=NC1(C)C)(C)C;CC1(C)N=C(S[S](C)(=O)=O)C(C)(C)N1[O];CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C","InChI=1S/C8H16N2O3S2/c1-7(2)6(14-15(5,12)13)9-8(3,4)10(7)11/h11H,1-5H3","","2009-11-09","2024-09-27","S-(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate",""],["C3W","4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid","C12 H12 F N O4","CN(Cc1ccc(F)cc1)C(=O)CC(=O)C(O)=O;CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O","InChI=1S/C12H12FNO4/c1-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,17,18)","","2017-11-10","2018-09-28","4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid","2018-10-03"],["V1B","7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione","C21 H17 N3 O2","O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45;c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5","InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+","","2021-04-06","2022-02-18","7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione","2022-02-23"],["C3X","(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside","C8 H14 O6","O(CC1OC1)C2OCC(O)C(O)C2O;O[CH]1CO[CH](OC[CH]2CO2)[CH](O)[CH]1O;C1C(O1)COC2C(C(C(CO2)O)O)O","InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1","2,3-EPOXYPROPYL-BETA-D-XYLOSIDE; (2R)-oxiran-2-ylmethyl beta-D-xyloside; (2R)-oxiran-2-ylmethyl D-xyloside;\n(2R)-oxiran-2-ylmethyl xyloside","1999-07-08","2020-07-17","(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside",""],["V1C","(2S)-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid","C16 H21 N3 O2","CC(C)Cn1cc(cn1)c2ccc(C[CH](N)C(O)=O)cc2;CC(C)Cn1cc(cn1)c2ccc(cc2)CC(C(=O)O)N","InChI=1S/C16H21N3O2/c1-11(2)9-19-10-14(8-18-19)13-5-3-12(4-6-13)7-15(17)16(20)21/h3-6,8,10-11,15H,7,9,17H2,1-2H3,(H,20,21)/t15-/m0/s1","","2023-07-03","2024-09-27","(2~{S})-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid","2023-11-01"],["C3Y","S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE","C5 H12 N2 O4 S","O=C(O)C(N)CSC(O)(NO)C;C[C](O)(NO)SC[CH](N)C(O)=O;CC(NO)(O)SCC(C(=O)O)N","InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1","","2007-04-02","2025-05-30","S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine",""],["V1D","N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide","C24 H30 F N5 O4","Fc1ccccc1c2cnc(n2)C(NC(C3CN(C)C3)=O)CCCCCC(c4ccon4)(O)O;CN1CC(C1)C(=O)N[CH](CCCCCC(O)(O)c2ccon2)c3[nH]cc(n3)c4ccccc4F;CN1CC(C1)C(=O)NC(CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F","InChI=1S/C24H30FN5O4/c1-30-14-16(15-30)23(31)28-19(9-3-2-6-11-24(32,33)21-10-12-34-29-21)22-26-13-20(27-22)17-7-4-5-8-18(17)25/h4-5,7-8,10,12-13,16,19,32-33H,2-3,6,9,11,14-15H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1","","2020-06-12","2020-07-24","N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide","2020-07-29"],["C3Z","3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol","C23 H18 N4 O","Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5;c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5","InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26)","","2017-11-11","2018-05-25","3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol","2018-05-30"],["V1E","~{N},~{N},4-trimethylbenzenesulfonamide","C9 H13 N O2 S","CN(C)[S](=O)(=O)c1ccc(C)cc1;Cc1ccc(cc1)S(=O)(=O)N(C)C","InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3","","2021-04-06","2024-09-27","~{N},~{N},4-trimethylbenzenesulfonamide","2021-06-09"],["C40","N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE","C25 H43 N3 O5","O=C(NCCCC)C(C)CC(O)C(N)CC(C)CNC(=O)c1ccccc1OCCCOC;CCCCNC(=O)[CH](C)C[CH](O)[CH](N)C[CH](C)CNC(=O)c1ccccc1OCCCOC;CCCCNC(=O)C(C)CC(C(CC(C)CNC(=O)c1ccccc1OCCCOC)N)O","InChI=1S/C25H43N3O5/c1-5-6-12-27-24(30)19(3)16-22(29)21(26)15-18(2)17-28-25(31)20-10-7-8-11-23(20)33-14-9-13-32-4/h7-8,10-11,18-19,21-22,29H,5-6,9,12-17,26H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,21+,22+/m1/s1","","2007-05-21","2011-06-04","N-[(2R,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide",""],["V1F","3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide","C21 H19 F3 N2 O4 S2","O=S(=O)(c2c(F)c(F)c(c(F)c2NCc1ccccc1)S(=O)(=O)N)CCc3ccccc3;N[S](=O)(=O)c1c(F)c(F)c(c(NCc2ccccc2)c1F)[S](=O)(=O)CCc3ccccc3;c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3","InChI=1S/C21H19F3N2O4S2/c22-16-17(23)21(31(27,28)12-11-14-7-3-1-4-8-14)19(18(24)20(16)32(25,29)30)26-13-15-9-5-2-6-10-15/h1-10,26H,11-13H2,(H2,25,29,30)","","2014-06-19","2015-04-10","3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide","2015-04-15"],["C41","ALISKIREN","C30 H53 N3 O6","O=C(N)C(C)(C)CNC(=O)C(C(C)C)CC(O)C(N)CC(C(C)C)Cc1cc(OCCCOC)c(OC)cc1;COCCCOc1cc(C[CH](C[CH](N)[CH](O)C[CH](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC;CC(C)C(Cc1ccc(c(c1)OCCCOC)OC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N","InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1","","2007-05-21","2011-06-04","(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(1-methylethyl)nonanamide",""],["V1G","(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide","C28 H27 F2 N5 O4","CC(c4cc(F)c5C(=O)N(c3c(c(C=2C=C(NC(=O)C1C(C1)F)C(=O)N(C=2)C)ccn3)CO)N=Cc5c4)(C)C;CN1C=C(C=C(NC(=O)[CH]2C[CH]2F)C1=O)c3ccnc(N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)c3CO;CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)C5CC5F)C)CO","InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1","","2020-06-12","2020-07-17","(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide","2020-07-22"],["C42","3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H15 N4 O6 P","O=C1N=C(N)C=CN1C2OC(C(N)C2)COP(=O)(O)O;N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)N;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)N","InChI=1S/C9H15N4O6P/c10-5-3-8(13-2-1-7(11)12-9(13)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8H,3-4,10H2,(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","1998-01-28","2011-06-04","3'-amino-2',3'-dideoxycytidine 5'-(dihydrogen phosphate)",""],["C43","2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOPHOSPHATE","C12 H20 N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(OCCOC)C2O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;COCCOC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C12H20N3O9P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)15-3-2-8(13)14-12(15)17/h2-3,7,9-11,16H,4-6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1","","1999-05-12","2013-02-19","2'-O-(2-methoxyethyl)cytidine 5'-(dihydrogen phosphate)",""],["V1H","3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine","C11 H15 N O3 S","COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2;Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC","InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3","","2021-04-06","2024-09-27","3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine","2021-06-09"],["V1I","N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea","C10 H16 N2 O","O=C(NC1CC1)N(CC=C)C1CC1;C=CCN(C1CC1)C(=O)NC2CC2;C=CCN(C1CC1)C(=O)NC2CC2","InChI=1S/C10H16N2O/c1-2-7-12(9-5-6-9)10(13)11-8-3-4-8/h2,8-9H,1,3-7H2,(H,11,13)","","2022-08-29","2022-10-28","N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea","2022-11-02"],["C44","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide","C33 H42 N4 O4 S","O=S5(=O)N(c4cc(C(=O)NC(Cc1ccccc1)C(O)CNC3c2ccccc2CCC3)cc(NCC)c4)CCCC5;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CN[CH]3CCCc4ccccc34)N5CCCC[S]5(=O)=O;CCNc1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNC4CCCc5c4cccc5)O","InChI=1S/C33H42N4O4S/c1-2-34-27-20-26(21-28(22-27)37-17-8-9-18-42(37,40)41)33(39)36-31(19-24-11-4-3-5-12-24)32(38)23-35-30-16-10-14-25-13-6-7-15-29(25)30/h3-7,11-13,15,20-22,30-32,34-35,38H,2,8-10,14,16-19,23H2,1H3,(H,36,39)/t30-,31-,32+/m0/s1","","2007-12-04","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide",""],["V1J","3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol","C33 H68 O17","C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCO;OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C33H68O17/c34-2-1-4-36-6-8-38-10-12-40-14-16-42-18-20-44-22-24-46-26-28-48-30-32-50-33-31-49-29-27-47-25-23-45-21-19-43-17-15-41-13-11-39-9-7-37-5-3-35/h34-35H,1-33H2","","2020-06-12","2022-04-08","3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol","2022-04-13"],["C45","N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C10 H16 N3 O8 P","O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O;CONC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CONC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","","1993-07-15","2011-06-04","2'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate)",""],["V1K","2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole","C15 H13 Cl N2 O3 S","COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3;Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC","InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3","","2021-04-06","2024-09-27","2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole","2021-06-09"],["C46","6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2]OXAZIN-7-0NE(CYTIDINE)-5'-MONOPHOSPHATE","C11 H16 N3 O8 P","O=P(O)(O)OCC3OC(N1C=C2C(=NC1=O)NOCC2)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3CCONC3=NC2=O;C1CONC2=NC(=O)N(C=C21)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H16N3O8P/c15-7-3-9(22-8(7)5-21-23(17,18)19)14-4-6-1-2-20-13-10(6)12-11(14)16/h4,7-9,15H,1-3,5H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1","","1999-04-22","2011-06-04","6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4,6-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-7(3H)-one",""],["V1L","piperidin-2-one","C5 H9 N O","O=C1CCCCN1;C1CCNC(=O)C1","InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)","valerolactam","2017-07-17","2021-03-01","piperidin-2-one","2018-10-10"],["C47","METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE","C27 H43 N3 O5","O=C(NCCCC)C(C)CC(O)C(N)CC(C)(C)CC(=O)N2c1ccccc1CC(C(=O)OC)C2;CCCCNC(=O)[CH](C)C[CH](O)[CH](N)CC(C)(C)CC(=O)N1C[CH](Cc2ccccc12)C(=O)OC;CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(Cc2c1cccc2)C(=O)OC)N)O","InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20-,21+,23+/m1/s1","","2007-05-22","2011-06-04","methyl (3R)-1-[(5S,6S,8R)-5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylate",""],["V1M","methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate","C16 H17 N O4","Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC;COC(=O)c1ccc(COc2ccc(OC)cc2C)cn1;Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC","InChI=1S/C16H17NO4/c1-11-8-13(19-2)5-7-15(11)21-10-12-4-6-14(17-9-12)16(18)20-3/h4-9H,10H2,1-3H3","","2020-06-12","2020-11-27","methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate","2020-12-02"],["C48","N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE","C22 H26 N4 O4","O=C(N(C)C)C(NC(=O)C(=O)CC(=O)NCCc1ncccc1)Cc2ccccc2;CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2;CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2","InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1","","1999-08-30","2024-09-27","N~1~-[(1S)-1-benzyl-2-(dimethylamino)-2-oxoethyl]-2-oxo-N~4~-(2-pyridin-2-ylethyl)butanediamide",""],["V1N","[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1H-indol-3-yl)ethyl hydrogen phosphate","C19 H21 N6 O7 P","O=P(O)(OC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OCCc5c4ccccc4nc5;Nc1ncnc2n(cnc12)[CH]3O[CH](O[P](O)(=O)OCCc4c[nH]c5ccccc45)[CH](O)[CH]3O;c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)OC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C19H21N6O7P/c20-16-13-17(23-8-22-16)25(9-24-13)18-14(26)15(27)19(31-18)32-33(28,29)30-6-5-10-7-21-12-4-2-1-3-11(10)12/h1-4,7-9,14-15,18-19,21,26-27H,5-6H2,(H,28,29)(H2,20,22,23)/t14-,15-,18-,19+/m1/s1","","2012-07-16","2014-09-05","(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl 2-(1H-indol-3-yl)ethyl hydrogen (S)-phosphate","2012-12-14"],["C49","4-THIO,5-FLUORO,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C10 H15 F N3 O7 P S","O=C1N(C(=S)C(F)(C(=[N@H])N1)C)C2OC(C(O)C2)COP(=O)(O)O;C[C]1(F)C(=N)NC(=O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=S;[H]N=C1C(C(=S)N(C(=O)N1)C2CC(C(O2)COP(=O)(O)O)O)(C)F","InChI=1S/C10H15FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,15H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6+,10+/m0/s1","","1995-09-15","2024-09-27","2'-deoxy-5-fluoro-5-methyl-6-thioxocytidine 5'-(dihydrogen phosphate)",""],["V1O","5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol","C17 H19 Br N2 O4","COc1ccc(cc1O)N=Nc2cc(OC)c(CCBr)c(OC)c2;COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)CCBr)OC","InChI=1S/C17H19BrN2O4/c1-22-15-5-4-11(8-14(15)21)19-20-12-9-16(23-2)13(6-7-18)17(10-12)24-3/h4-5,8-10,21H,6-7H2,1-3H3","","2023-02-20","2023-12-08","5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol","2023-12-13"],["C4A","ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE","C28 H33 N5 O5","O=C(c1nc(on1)Cc4ccc(C(=O)NC3Cc2ccccc2C3)cc4)C(NC(=O)OCC)CCCCN;CCOC(=O)N[CH](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3)n1;CCOC(=O)NC(CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3","InChI=1S/C28H33N5O5/c1-2-37-28(36)31-23(9-5-6-14-29)25(34)26-32-24(38-33-26)15-18-10-12-19(13-11-18)27(35)30-22-16-20-7-3-4-8-21(20)17-22/h3-4,7-8,10-13,22-23H,2,5-6,9,14-17,29H2,1H3,(H,30,35)(H,31,36)/t23-/m0/s1","","2006-01-24","2024-09-27","ethyl [(1S)-5-amino-1-({5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}carbonyl)pentyl]carbamate",""],["V1P","5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide","C24 H35 N5 O4","O=C(C1CN(C)C1)NC(CCCCCC(CC)(O)O)c3nc(c2ccccc2)nc3C(N)=O;CCC(O)(O)CCCCC[CH](NC(=O)C1CN(C)C1)c2[nH]c(nc2C(N)=O)c3ccccc3;CCC(CCCCCC(c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O","InChI=1S/C24H35N5O4/c1-3-24(32,33)13-9-5-8-12-18(26-23(31)17-14-29(2)15-17)19-20(21(25)30)28-22(27-19)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,32-33H,3,5,8-9,12-15H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)/t18-/m0/s1","","2020-06-15","2020-08-07","5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide","2020-08-12"],["C4B","1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione","C9 H13 N3 O8","O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C(=O)NC(=O)NC2=O;C(C1C(C(C(C(O1)N2C(=O)NC(=O)NC2=O)O)O)O)O","InChI=1S/C9H13N3O8/c13-1-2-3(14)4(15)5(16)6(20-2)12-8(18)10-7(17)11-9(12)19/h2-6,13-16H,1H2,(H2,10,11,17,18,19)/t2-,3-,4+,5-,6-/m1/s1","1-beta-D-glucosyl-1,3,5-triazinane-2,4,6-trione; 1-D-glucosyl-1,3,5-triazinane-2,4,6-trione;\n1-glucosyl-1,3,5-triazinane-2,4,6-trione","2007-11-18","2020-07-17","1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione",""],["V1Q","4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide","C11 H13 N3 O2 S","Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1;Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C","InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)","","2021-04-06","2024-09-27","4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide","2021-06-09"],["C4C","N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine","C16 H20 Cl N3","Clc1ccc(cc1)CN(c2ncccc2)CCN(C)C;CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2;CN(C)CCN(Cc1ccc(cc1)Cl)c2ccccn2","InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3","","2007-09-18","2011-06-04","N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine",""],["V1S","(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide","C28 H38 F N5 O3","N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C)CC3)C4)=O)CCCCCC(CC)(O)O;CCC(O)(O)CCCCC[CH](NC(=O)[CH]1CC12CCN(C)CC2)c3nc([nH]c3C#N)c4ccc(F)cc4;CCC(CCCCCC(c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)C3CC34CCN(CC4)C)(O)O","InChI=1S/C28H38FN5O3/c1-3-28(36,37)12-6-4-5-7-22(32-26(35)21-17-27(21)13-15-34(2)16-14-27)24-23(18-30)31-25(33-24)19-8-10-20(29)11-9-19/h8-11,21-22,36-37H,3-7,12-17H2,1-2H3,(H,31,33)(H,32,35)/t21-,22+/m1/s1","","2020-06-15","2020-08-07","(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide","2020-08-12"],["C4D","4,4'-Diaponeurosporene","C30 H42","C(=[C@H]CC/C(C)=C/C=CC(C)=CC=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C)(C)C;CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C;CC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C)C)C)C","InChI=1S/C30H42/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13-19,21-24H,12,20H2,1-8H3/b10-9+,19-11+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+","(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene","2017-08-11","2021-03-13","(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene","2017-09-06"],["V1T","1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide","C10 H11 N3 O2","O=C(c1ccc2c(c1)N(C(=O)N2C)C)N;CN1C(=O)N(C)c2cc(ccc12)C(N)=O;CN1c2ccc(cc2N(C1=O)C)C(=O)N","InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)","","2014-08-30","2014-09-12","1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide","2014-09-17"],["C4E","N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine","C13 H11 N3","n1cccc2c1ncc2Nc3ccccc3;[nH]1cc(Nc2ccccc2)c3cccnc13;c1ccc(cc1)Nc2c[nH]c3c2cccn3","InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)","","2008-01-30","2011-06-04","N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine",""],["V1U","2-(2-methoxyethoxy)benzoic acid","C10 H12 O4","O=C(O)c1ccccc1OCCOC;COCCOc1ccccc1C(O)=O;COCCOc1ccccc1C(=O)O","InChI=1S/C10H12O4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12)","","2022-08-29","2022-10-28","2-(2-methoxyethoxy)benzoic acid","2022-11-02"],["C4F","3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine","C15 H14 N2 O","n1cccc2c1ncc2Cc3cccc(OC)c3;COc1cccc(Cc2c[nH]c3ncccc23)c1;COc1cccc(c1)Cc2c[nH]c3c2cccn3","InChI=1S/C15H14N2O/c1-18-13-5-2-4-11(9-13)8-12-10-17-15-14(12)6-3-7-16-15/h2-7,9-10H,8H2,1H3,(H,16,17)","","2008-01-30","2011-06-04","3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine",""],["V1V","(2S,3S)-3-amino-2-hydroxyhexanoic acid","C6 H13 N O3","CCCC(N)C(O)C(O)=O;CCC[CH](N)[CH](O)C(O)=O;CCCC(C(C(=O)O)O)N","InChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1","","2020-06-16","2024-09-27","(2S,3S)-3-amino-2-hydroxyhexanoic acid","2020-06-24"],["C4G","N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine","C9 H21 N5 O2","NC(C(O)=O)CCCNC(=N)NCCCN;NCCCNC(=N)NCCC[CH](N)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NCCCN","InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1","","2017-09-13","2024-09-27","N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine","2017-12-13"],["V1W","v-coelenterazine","C28 H21 N3 O5","OO[C]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6;c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=NC(C5=O)(Cc6ccc(cc6)O)OO)O","InChI=1S/C28H21N3O5/c32-20-9-6-18(7-10-20)16-28(36-35)27(34)31-24-13-8-19-15-21(33)11-12-22(19)25(24)29-23(26(31)30-28)14-17-4-2-1-3-5-17/h1-13,15,32-33,35H,14,16H2/t28-/m0/s1","","2021-04-06","2022-02-04","","2022-02-09"],["C4H","N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE","C19 H27 N3 O3 S2","O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCNC(=O)CCS;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS","InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)","N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE","2005-03-18","2021-03-01","N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide",""],["V1X","2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide","C17 H14 Cl2 F3 N3 O4","NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2CCO;c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2CCO)Cl)Cl)C(=O)N","InChI=1S/C17H14Cl2F3N3O4/c18-8-5-12(19)10(3-4-26)13(6-8)24-16(28)25-14-7-9(29-17(20,21)22)1-2-11(14)15(23)27/h1-2,5-7,26H,3-4H2,(H2,23,27)(H2,24,25,28)","2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide","2023-02-20","2024-02-23","2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide","2024-02-28"],["C4I","(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide","C40 H43 N5 O2","O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)Nc6cccc7ccccc67;c1ccc2c(c1)cccc2NC(=O)c3ccc(cc3)CN4CCCC(C4)C(=O)NCCCNc5c6ccccc6nc7c5CCCC7","InChI=1S/C40H43N5O2/c46-39(42-24-9-23-41-38-33-14-3-5-16-36(33)43-37-17-6-4-15-34(37)38)31-12-8-25-45(27-31)26-28-19-21-30(22-20-28)40(47)44-35-18-7-11-29-10-1-2-13-32(29)35/h1-3,5,7,10-11,13-14,16,18-22,31H,4,6,8-9,12,15,17,23-27H2,(H,41,43)(H,42,46)(H,44,47)/t31-/m0/s1","","2021-12-14","2022-12-16","(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide","2022-12-21"],["V1Y","4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide","C23 H16 Cl F N6 O S","c1cc(c(c2c1c(ncc2)Nc3c(c(ccc3)Cl)F)NC(c5c4c(c(ncn4)N)sc5)=O)C;Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c4csc5c(N)ncnc45;Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl","InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)","Belvarafenib","2020-06-16","2021-03-05","4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide","2021-03-10"],["C4J","(5S)-5-{3-[(3S)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-O-phosphono-L-arabinitol","C14 H22 N3 O11 P","C=1N(C(=O)N(CCC(N)C(O)=O)C(C=1C2C(C(C(O2)COP(=O)(O)O)O)O)=O)C;CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O;CN1C=C(C(=O)N(C1=O)CCC(C(=O)O)N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8-,9+,10+,11-/m0/s1","","2017-09-13","2017-12-01","(5S)-5-{3-[(3S)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-O-phosphono-L-arabinitol","2017-12-06"],["C4K","~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide","C24 H21 N3 O4","CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc5OCOc5c4;Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5","InChI=1S/C24H21N3O4/c1-14-4-3-5-15(8-14)9-19-17-11-18(21(28)12-20(17)26-25-19)24(29)27(2)16-6-7-22-23(10-16)31-13-30-22/h3-8,10-12,28H,9,13H2,1-2H3,(H,25,26)","","2017-11-11","2018-05-25","~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide","2018-05-30"],["V1Z","8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine","C19 H22 N4 O2 S","Cc1cccn2cc(nc12)c3ccc(C)c(c3)[S](=O)(=O)N4CCNCC4;Cc1cccn2c1nc(c2)c3ccc(c(c3)S(=O)(=O)N4CCNCC4)C","InChI=1S/C19H22N4O2S/c1-14-5-6-16(17-13-22-9-3-4-15(2)19(22)21-17)12-18(14)26(24,25)23-10-7-20-8-11-23/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3","","2021-04-06","2022-08-12","8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine","2022-08-17"],["V20","N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE","C13 H22 N2 O7 S2","O=C(O)C(OC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)CSC;CSC[CH](OC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CSCC(C(=O)O)OC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C13H22N2O7S2/c1-24-6-9(12(19)20)22-13(21)8(5-23)15-10(16)4-2-3-7(14)11(17)18/h7-9,23H,2-6,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t7-,8-,9+/m0/s1","","2007-09-04","2011-06-04","N~6~-[(1R)-2-[(1S)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["C4L","N-butanoyl-L-homoserine","C8 H15 N O4","O=C(NC(C(=O)O)CCO)CCC;CCCC(=O)N[CH](CCO)C(O)=O;CCCC(=O)NC(CCO)C(=O)O","InChI=1S/C8H15NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m0/s1","","2012-08-08","2013-01-11","N-butanoyl-L-homoserine","2013-01-11"],["V21","3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide","C9 H8 N4 O2 S3","CSC1=[S]=Nn2c3cc(ccc3nc12)[S](N)(=O)=O;CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N","InChI=1S/C9H8N4O2S3/c1-16-9-8-11-6-3-2-5(18(10,14)15)4-7(6)13(8)12-17-9/h2-4H,1H3,(H2,10,14,15)","","2009-05-29","2011-06-04","",""],["C4M","N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE","C20 H28 N2 O4 S","O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2;COc1cc(C)c(c(C)c1C)[S](=O)(=O)NC[CH](O)[CH](N)Cc2ccccc2;Cc1cc(c(c(c1S(=O)(=O)NCC(C(Cc2ccccc2)N)O)C)C)OC","InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1","INHIBITOR OF THROMBIN","2005-12-09","2021-03-01","N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide",""],["V22","~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide","C25 H29 N6 O2","O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)C4=CC(=O)[n]5ccccc5N4;c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4","InChI=1S/C25H29N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)(H,29,32)","","2021-04-07","2021-04-09","~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide","2021-04-14"],["C4N","~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide","C24 H22 Cl N3 O2","CN(Cc1ccc(Cl)cc1)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O;Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl","InChI=1S/C24H22ClN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)","","2017-11-11","2018-05-25","~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide","2018-05-30"],["V23","7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one","C8 H6 F3 N3 O","CC1=CC(=O)N2NC(=NC2=C1)C(F)(F)F;CC1=CC(=O)N2C(=C1)N=C(N2)C(F)(F)F","InChI=1S/C8H6F3N3O/c1-4-2-5-12-7(8(9,10)11)13-14(5)6(15)3-4/h2-3H,1H3,(H,12,13)","","2023-07-03","2024-02-23","7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one","2024-02-28"],["C4O","1-chloranyl-4-methyl-benzene","C7 H7 Cl","Cc1ccc(Cl)cc1;Cc1ccc(cc1)Cl","InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3","1-chloro-4-methylbenzene","2019-04-10","2022-06-17","1-chloranyl-4-methyl-benzene","2022-06-22"],["V24","N-[([1,1'-biphenyl]-4-yl)sulfonyl]-N-({1-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-D-valine","C34 H41 N5 O12 S","c1c(cccc1)c2ccc(cc2)S(=O)(N(C(C(O)=O)C(C)C)Cc4cn(C3C(NC(=O)C)C(OC(C)=O)C(OC(=O)C)C(COC(C)=O)O3)nn4)=O;CC(C)[CH](N(Cc1cn(nn1)[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2NC(C)=O)[S](=O)(=O)c3ccc(cc3)c4ccccc4)C(O)=O;CC(C)C(C(=O)O)N(Cc1cn(nn1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4","InChI=1S/C34H41N5O12S/c1-19(2)30(34(44)45)39(52(46,47)27-14-12-25(13-15-27)24-10-8-7-9-11-24)17-26-16-38(37-36-26)33-29(35-20(3)40)32(50-23(6)43)31(49-22(5)42)28(51-33)18-48-21(4)41/h7-16,19,28-33H,17-18H2,1-6H3,(H,35,40)(H,44,45)/t28-,29-,30-,31-,32-,33-/m1/s1","","2016-02-27","2016-07-01","N-[([1,1'-biphenyl]-4-yl)sulfonyl]-N-({1-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-D-valine","2016-07-06"],["C4P","N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE","C24 H29 N3 O4 S","O=C(NC(C(=O)NC(C=O)CSCc1ccccc1)Cc2ccccc2)N3CCOCC3;O=C[CH](CSCc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)N3CCOCC3;c1ccc(cc1)CC(C(=O)NC(CSCc2ccccc2)C=O)NC(=O)N3CCOCC3","InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1","MORPHOLINE-4-CARBOXYLIC ACID [1-(2-BENZYLSULFANYL-1-FORMYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYL]-AMIDE","2003-02-11","2024-09-27","N-[(1R)-2-(benzylsulfanyl)-1-formylethyl]-Nalpha-(morpholin-4-ylcarbonyl)-L-phenylalaninamide",""],["V25","ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate","C15 H13 Cl2 N3 O2","N#CC(c2c1ccc(Cl)c(Cl)c1n(c2C(=O)OCC)C)=CN;CCOC(=O)c1n(C)c2c(Cl)c(Cl)ccc2c1C(=CN)C#N;CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)C(=CN)C#N","InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-","","2007-08-31","2011-06-04","ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate",""],["C4Q","4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline","C18 H27 N5","n2c1c(cccc1)c(cc2)CN3CCNCCNCCNCC3;C1CNCCN(CCNCCN1)Cc2ccnc3ccccc23;c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3","InChI=1S/C18H27N5/c1-2-4-18-17(3-1)16(5-6-22-18)15-23-13-11-20-9-7-19-8-10-21-12-14-23/h1-6,19-21H,7-15H2","","2012-01-24","2012-03-09","4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline",""],["V26","2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide","C15 H15 F3 N2 O4 S2","CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc2)[S](N)(=O)=O;CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F","InChI=1S/C15H15F3N2O4S2/c1-20-13-12(18)14(26(19,23)24)10(16)11(17)15(13)25(21,22)8-7-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H2,19,23,24)","","2016-07-27","2017-08-11","2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide","2017-08-16"],["C4R","(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium","C10 H14 N O2 Rh S","N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O;C1CC2C3C1C4=C2[Rh+]4S3CC(C(=O)O)N","InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6;/h6-9H,1-2,5,11H2,(H,12,13);/p+1/t6-,7+,8-,9+;/m0./s1","(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium","2008-11-11","2024-09-27","",""],["V27","1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one","C28 H30 F6 N2 O3","OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F;CC(=O)N1CCC(CC1)C(=O)N2C[CH](c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[C](C)(C2)c4ccccc4;CC(=O)N1CCC(CC1)C(=O)N2CC(C(C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1","","2020-06-17","2020-08-07","1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one","2020-08-12"],["C4S","2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)","C9 H14 N3 O6 P S","O=C1N=C(N)C=CN1C2SC(C(O)C2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)S2;C1C(C(SC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(20-8)4-18-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2007-11-28","2011-06-04","2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)",""],["V28","N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine","C28 H35 N5 O9 S","O=S(=O)(c1ccc(cc1)c2ccccc2)N(C(C(=O)O)C(C)C)Cc3cn(nn3)C4OC(CO)C(O)C(C4NC(C)=O)O;CC(C)[CH](N(Cc1cn(nn1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)[S](=O)(=O)c3ccc(cc3)c4ccccc4)C(O)=O;CC(C)C(C(=O)O)N(Cc1cn(nn1)C2C(C(C(C(O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4","InChI=1S/C28H35N5O9S/c1-16(2)24(28(38)39)33(43(40,41)21-11-9-19(10-12-21)18-7-5-4-6-8-18)14-20-13-32(31-30-20)27-23(29-17(3)35)26(37)25(36)22(15-34)42-27/h4-13,16,22-27,34,36-37H,14-15H2,1-3H3,(H,29,35)(H,38,39)/t22-,23-,24-,25-,26-,27-/m1/s1","","2016-02-28","2016-07-01","N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine","2016-07-06"],["C4T","~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide","C23 H20 Cl N3 O2","CN(Cc1ccc(Cl)cc1)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O;CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4","InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)","","2017-11-11","2018-05-25","~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide","2018-05-30"],["V29","(3R)-3-(benzylamino)oxolane-3-carboxylic acid","C12 H15 N O3","O=C(O)C1(NCc2ccccc2)CCOC1;OC(=O)[C]1(CCOC1)NCc2ccccc2;c1ccc(cc1)CNC2(CCOC2)C(=O)O","InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1","","2022-08-29","2022-10-28","(3R)-3-(benzylamino)oxolane-3-carboxylic acid","2022-11-02"],["C4U","1-chloranyl-3-methyl-benzene","C7 H7 Cl","Cc1cccc(Cl)c1;Cc1cccc(c1)Cl","InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3","1-chloro-3-methylbenzene","2019-04-10","2022-06-17","1-chloranyl-3-methyl-benzene","2022-06-22"],["V2A","neoseptin 3","C29 H34 N2 O4","C(c1ccccc1)CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N;CC(C)(C)OC(=O)[CH](CCc1ccccc1)NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2;CC(C)(C)OC(=O)C(CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N","InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1","tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate","2020-06-17","2021-03-01","tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate","2020-07-01"],["C4V","(1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid","C26 H35 N3 O3","CC(CN(CC(C)C)c1ccc(cc1NC(Nc2ccc(cc2)C)=O)C3C(C(=O)O)C3)C;CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc2ccc(C)cc2)[CH]3C[CH]3C(O)=O;Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)C3CC3C(=O)O","InChI=1S/C26H35N3O3/c1-16(2)14-29(15-17(3)4)24-11-8-19(21-13-22(21)25(30)31)12-23(24)28-26(32)27-20-9-6-18(5)7-10-20/h6-12,16-17,21-22H,13-15H2,1-5H3,(H,30,31)(H2,27,28,32)/t21-,22-/m1/s1","","2017-09-13","2018-03-16","(1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid","2018-03-21"],["V2C","methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate","C22 H23 Cl N2 O5","Oc1cc(O)c(c(c1C(=O)OC)CCc2nccn2Cc3ccccc3OCC)Cl;CCOc1ccccc1Cn2ccnc2CCc3c(Cl)c(O)cc(O)c3C(=O)OC;CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC","InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3","","2017-08-28","2018-04-13","methyl 3-chloro-2-(2-{1-[(2-ethoxyphenyl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate","2018-04-18"],["C4W","1-azido-beta-N-acetyl-D-glucosamine","C8 H14 N4 O5","CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1N=[N+]=[N-];CC(=O)NC1C(C(C(OC1N=[N+]=[N-])CO)O)O","InChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1","","2017-11-13","2020-07-17","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-azido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide","2018-07-11"],["V2D","methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate","C15 H15 N O4","Cc1c(cccc1OCc2ncccc2C(OC)=O)O;COC(=O)c1cccnc1COc2cccc(O)c2C;Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O","InChI=1S/C15H15NO4/c1-10-13(17)6-3-7-14(10)20-9-12-11(15(18)19-2)5-4-8-16-12/h3-8,17H,9H2,1-2H3","","2020-06-18","2020-11-27","methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate","2020-12-02"],["C4X","3,4-EPOXYBUTYL-BETA-D-XYLOSIDE","C9 H16 O6","O(CCC1OC1)C2OCC(O)C(O)C2O;O[CH]1CO[CH](OCC[CH]2CO2)[CH](O)[CH]1O;C1C(O1)CCOC2C(C(C(CO2)O)O)O","InChI=1S/C9H16O6/c10-6-4-15-9(8(12)7(6)11)13-2-1-5-3-14-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-/m1/s1","","1999-07-08","2011-06-04","2-[(2R)-oxiran-2-yl]ethyl beta-D-xylopyranoside",""],["V2E","3-morpholin-4-yl-4-nitro-benzaldehyde","C11 H12 N2 O4","[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2;c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-]","InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2","","2021-04-08","2024-09-27","3-morpholin-4-yl-4-nitro-benzaldehyde","2021-06-09"],["C4Y","1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea","C20 H24 N4 O2","N(Cc1ccc(cc1)N)C(=O)NCC(=O)N2CCCC2c3ccccc3;Nc1ccc(CNC(=O)NCC(=O)N2CCC[CH]2c3ccccc3)cc1;c1ccc(cc1)C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N","InChI=1S/C20H24N4O2/c21-17-10-8-15(9-11-17)13-22-20(26)23-14-19(25)24-12-4-7-18(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H2,22,23,26)/t18-/m1/s1","","2015-07-02","2016-07-15","1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea","2016-07-20"],["C4Z","(2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid","C27 H46 O13","C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(O)=O)[CH]3O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)O)O)O)O","InChI=1S/C27H46O13/c1-13-19(29)21(31)22(32)26(36-13)38-15-9-5-6-10-16(15)39-27-23(33)24(20(30)18(12-28)40-27)37-17(25(34)35)11-14-7-3-2-4-8-14/h13-24,26-33H,2-12H2,1H3,(H,34,35)/t13-,15+,16+,17+,18+,19+,20-,21+,22-,23+,24-,26-,27+/m0/s1","","2017-11-13","2018-11-16","(2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid","2018-11-21"],["V2F","2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide","C15 H10 Cl2 F3 N3 O3","NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2;c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N","InChI=1S/C15H10Cl2F3N3O3/c16-7-3-8(17)5-9(4-7)22-14(25)23-12-6-10(26-15(18,19)20)1-2-11(12)13(21)24/h1-6H,(H2,21,24)(H2,22,23,25)","2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide","2023-02-20","2024-02-23","2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide","2024-02-28"],["V2G","2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid","C12 H17 N6 O8 P","N(CC(O)=O)P(O)(=O)OCC1OC(C(C1O)O)n2cnc3c2ncnc3N;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCC(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NCC(=O)O)O)O)O)N","InChI=1S/C12H17N6O8P/c13-10-7-11(15-3-14-10)18(4-16-7)12-9(22)8(21)5(26-12)2-25-27(23,24)17-1-6(19)20/h3-5,8-9,12,21-22H,1-2H2,(H,19,20)(H2,13,14,15)(H2,17,23,24)/t5-,8-,9-,12-/m1/s1","","2020-06-19","2020-11-27","{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}acetic acid (non-preferred name)","2020-12-02"],["C50","1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine","C14 H19 Cl2 N5 O2","Clc2cccc(OCCCON1C(=NC(=NC1(C)C)N)N)c2Cl;CC1(C)N=C(N)N=C(N)N1OCCCOc2cccc(Cl)c2Cl;CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C","InChI=1S/C14H19Cl2N5O2/c1-14(2)20-12(17)19-13(18)21(14)23-8-4-7-22-10-6-3-5-9(15)11(10)16/h3,5-6H,4,7-8H2,1-2H3,(H4,17,18,19,20)","","2009-08-17","2011-06-04","1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine",""],["V2H","(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol","C28 H44 O2","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3;CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1","1-alpha-hydroxy-vitamin D2","2008-07-02","2021-03-01","(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol",""],["C51","(2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide","C25 H25 N3 O","c1(ccc(C#N)cc1)NC(C(C4CCC(c2ccnc3c2cccc3)CC4)C)=O;C[CH]([CH]1CC[CH](CC1)c2ccnc3ccccc23)C(=O)Nc4ccc(cc4)C#N;CC(C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N","InChI=1S/C25H25N3O/c1-17(25(29)28-21-12-6-18(16-26)7-13-21)19-8-10-20(11-9-19)22-14-15-27-24-5-3-2-4-23(22)24/h2-7,12-15,17,19-20H,8-11H2,1H3,(H,28,29)/t17-,19-,20+/m1/s1","","2017-09-13","2018-03-16","(2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide","2018-03-21"],["V2I","ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate","C14 H17 N3 O5 S","CCOC(=O)C1=C(C)NC(=O)N[CH]1c2ccc(cc2)[S](N)(=O)=O;CCOC(=O)C1=C(NC(=O)NC1c2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C14H17N3O5S/c1-3-22-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(7-5-9)23(15,20)21/h4-7,12H,3H2,1-2H3,(H2,15,20,21)(H2,16,17,19)/t12-/m0/s1","","2023-09-07","2024-09-06","ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate","2024-09-11"],["C52","3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one","C21 H15 F3 N4 O","FC(F)(F)c1cc(ccc1)N2C=CC(=C(C2=O)c4cc3cnc(nc3cc4)N)C;CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4nc(N)ncc4c3;CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N","InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)","","2008-04-01","2011-06-04","3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one",""],["V2J","5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine","C15 H21 N6 O8 P","c21n(cnc1c(ncn2)N)C4C(C(C(COP(=O)(O)N3CC(CC3)C(=O)O)O4)O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N4CC[CH](C4)C(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N4CCC(C4)C(=O)O)O)O)O)N","InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)21(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)20-2-1-7(3-20)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1","","2020-06-19","2021-03-12","5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine","2021-03-17"],["C53","2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE","C9 H7 N3 O S","O=C1C(/SC(=[N@H])N1)=Cc2ncccc2;N=C1NC(=O)C(S1)=Cc2ccccn2;[H]N=C1NC(=O)C(=Cc2ccccn2)S1","InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+","","2007-05-14","2011-06-04","(2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one",""],["V2K","4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde","C16 H14 N2 O2","COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3;Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC","InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3","","2021-04-08","2024-09-27","4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde","2021-06-09"],["C54","(1R)-cyclopent-2-ene-1-carboxylic acid","C6 H8 O2","O=C(O)C1C=CCC1;OC(=O)[CH]1CCC=C1;C1CC(C=C1)C(=O)O","InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)/t5-/m0/s1","","2012-03-15","2014-09-05","(1R)-cyclopent-2-ene-1-carboxylic acid",""],["V2L","1-(1-benzyl-1H-imidazol-2-yl)methanamine","C11 H13 N3","NCc1nccn1Cc1ccccc1;NCc1nccn1Cc2ccccc2;c1ccc(cc1)Cn2ccnc2CN","InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2","","2022-08-29","2022-10-28","1-(1-benzyl-1H-imidazol-2-yl)methanamine","2022-11-02"],["C55","(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid ","C8 H11 N3 O7","O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O;OC(=O)CNC(=O)CON=CC(=O)NCC(O)=O;C(C(=O)O)NC(=O)CON=CC(=O)NCC(=O)O","InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+","","2024-02-15","2024-09-27","(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid (non-preferred name)","2024-02-21"],["V2M","N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C24 H34 N4 O6","COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)CO;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)CO;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(CO)O)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1","N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, bound form","2020-06-19","2024-09-27","N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2020-07-08"],["C56","4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE","C17 H26 N4 O4","[O-][N+](=O)c1cc(c(OC)cc1N(C)C)C(=O)NCC2N(CC)CCC2;CCN1CCC[CH]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+]([O-])=O;CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]","InChI=1S/C17H26N4O4/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,22)/t12-/m1/s1","","2011-09-22","2014-09-05","4-(dimethylamino)-N-{[(2R)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide",""],["V2N","4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde","C16 H14 N2 O2","COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1;Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC","InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3","","2021-04-08","2024-09-27","4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde","2021-06-09"],["C57","4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE","C17 H26 N4 O4","[O-][N+](=O)c1cc(c(OC)cc1N(C)C)C(=O)NCC2N(CC)CCC2;CCN1CCC[CH]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+]([O-])=O;CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]","InChI=1S/C17H26N4O4/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,22)/t12-/m0/s1","","2011-09-22","2014-09-05","4-(dimethylamino)-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide",""],["V2O","5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","C17 H19 F N2 O6 S","O=C1CN(c2c(F)c3cc(OCCC(C)(C)O)ccc3cc2O)S(=O)(=O)N1;CC(C)(O)CCOc1ccc2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2c1;CC(C)(CCOc1ccc2cc(c(c(c2c1)F)N3CC(=O)NS3(=O)=O)O)O","InChI=1S/C17H19FN2O6S/c1-17(2,23)5-6-26-11-4-3-10-7-13(21)16(15(18)12(10)8-11)20-9-14(22)19-27(20,24)25/h3-4,7-8,21,23H,5-6,9H2,1-2H3,(H,19,22)","","2023-05-09","2023-07-28","5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione","2023-08-02"],["C58","(2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine","C24 H25 N5 S","n1ccc(cc1)c2nc(c3c(n2)sc4c3CCCC4)NCC(N)Cc5ccccc5;N[CH](CNc1nc(nc2sc3CCCCc3c12)c4ccncc4)Cc5ccccc5;c1ccc(cc1)CC(CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N","InChI=1S/C24H25N5S/c25-18(14-16-6-2-1-3-7-16)15-27-23-21-19-8-4-5-9-20(19)30-24(21)29-22(28-23)17-10-12-26-13-11-17/h1-3,6-7,10-13,18H,4-5,8-9,14-15,25H2,(H,27,28,29)/t18-/m0/s1","","2012-12-20","2013-02-22","(2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine","2013-02-22"],["V2P","(2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid","C15 H21 N6 O8 P","C(C4N(P(O)(OCC3C(O)C(O)C(n1c2c(nc1)c(N)ncn2)O3)=O)CCC4)(O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N4CCC[CH]4C(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N4CCCC4C(=O)O)O)O)O)N","InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)21-3-1-2-7(21)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1","","2020-06-19","2021-03-12","(2S)-1-[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]pyrrolidine-2-carboxylic acid (non-preferred name)","2021-03-17"],["C5A","(1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid","C7 H11 N O4","O=C(O)C1(N)CC(C(=O)O)CC1;N[C]1(CC[CH](C1)C(O)=O)C(O)=O;C1CC(CC1C(=O)O)(C(=O)O)N","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1","1S,3S-ACPD","2007-07-16","2021-03-13","(1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid",""],["C5B","(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID","C7 H11 N O4","O=C(O)C1(N)CC(C(=O)O)CC1;N[C]1(CC[CH](C1)C(O)=O)C(O)=O;C1CC(CC1C(=O)O)(C(=O)O)N","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1","1S,3R-ACPD","2006-12-26","2021-03-13","(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid",""],["V2Q","4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde","C12 H13 N O3","COC1CN(C1)C(=O)c2ccc(C=O)cc2;COC1CN(C1)C(=O)c2ccc(cc2)C=O","InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3","","2021-04-08","2024-09-27","4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde","2021-06-09"],["V2R","5-fluoranyl-1,3-benzoxazol-2-amine","C7 H5 F N2 O","Nc1oc2ccc(F)cc2n1;c1cc2c(cc1F)nc(o2)N","InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)","","2023-07-04","2024-02-23","5-fluoranyl-1,3-benzoxazol-2-amine","2024-02-28"],["C5C","S-CYCLOPENTYL THIOCYSTEINE","C8 H15 N O2 S2","O=C(O)C(N)CSSC1CCCC1;N[CH](CSSC1CCCC1)C(O)=O;C1CCC(C1)SSCC(C(=O)O)N","InChI=1S/C8H15NO2S2/c9-7(8(10)11)5-12-13-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1","","1999-07-08","2024-09-27","3-(cyclopentyldisulfanyl)-L-alanine",""],["V2S","(2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid","C19 H23 N6 O8 P","C(C(NP(=O)(O)OCC3OC(n2c1c(c(N)ncn1)nc2)C(O)C3O)Cc4ccccc4)(O)=O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[CH](Cc4ccccc4)C(O)=O)[CH](O)[CH]3O;c1ccc(cc1)CC(C(=O)O)NP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/t11-,12+,14+,15+,18+/m0/s1","","2020-06-19","2021-03-12","(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-phenylpropanoic acid (non-preferred name)","2021-03-17"],["C5D","(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol","C24 H32 F6 O3","FC(F)(F)C(O)(C#CCCC2(C)CCC(/C=C/C=C1CC(O)CC(O)C1)C2(C)C)C(F)(F)F;CC1(C)[CH](CC[C]1(C)CCC#CC(O)(C(F)(F)F)C(F)(F)F)C=CC=C2C[CH](O)C[CH](O)C2;CC1(C(CCC1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)C=CC=C2CC(CC(C2)O)O)C","InChI=1S/C24H32F6O3/c1-20(2)17(8-6-7-16-13-18(31)15-19(32)14-16)9-12-21(20,3)10-4-5-11-22(33,23(25,26)27)24(28,29)30/h6-8,17-19,31-33H,4,9-10,12-15H2,1-3H3/b8-6+/t17-,18-,19-,21+/m1/s1","","2008-07-14","2011-06-04","(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol",""],["C5E","(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE","C11 H14 N2 O","O=C1C=CC=C2N1CC3CNCC2C3;O=C1C=CC=C2[CH]3CNC[CH](C3)CN12;C1C2CNCC1C3=CC=CC(=O)N3C2","InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1","CYTISINE","2012-01-23","2020-06-17","(1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one",""],["V2T","4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide","C12 H11 N3 O2","Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1;Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O","InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)","","2021-04-08","2024-09-27","4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide","2021-06-09"],["V2U","2-chloro-N-(3,5-dimethoxyphenyl)acetamide","C10 H12 Cl N O3","COc1cc(cc(OC)c1)NC(=O)CCl;COc1cc(NC(=O)CCl)cc(OC)c1;COc1cc(cc(c1)OC)NC(=O)CCl","InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)","","2022-08-29","2022-10-28","2-chloro-N-(3,5-dimethoxyphenyl)acetamide","2022-11-02"],["C5F","2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid","C13 H14 Cl2 O3","C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C;CC(C)(Oc1ccc(cc1)[CH]2CC2(Cl)Cl)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)C2CC2(Cl)Cl","InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1","","2019-01-23","2020-11-06","2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid","2020-11-11"],["V2V","CDP-ribitol","C14 H25 N3 O15 P2","C1=CN(C(N=C1N)=O)C2C(C(C(COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O2)O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O)O","InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1","[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate","2020-06-19","2021-04-16","[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate (non-preferred name)","2021-04-21"],["C5G","[CYTIDINE-5'-PHOSPHATE]-BETA-GLUCOSYL-PHOSPHORIC ACID ESTER","C15 H25 N3 O16 P2","O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1","","2004-07-26","2011-06-04","[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["C5H","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid","C27 H43 F3 O13","OC[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(F)(F)F)[CH](O)[CH](O[CH](CC4CCCCC4)C(O)=O)[CH]1O;C1CCC(CC1)CC(C(=O)O)OC2C(C(OC(C2O)OC3CCCCC3OC4C(C(C(C(O4)C(F)(F)F)O)O)O)CO)O","InChI=1S/C27H43F3O13/c28-27(29,30)23-19(34)18(33)20(35)25(43-23)40-13-8-4-5-9-14(13)41-26-21(36)22(17(32)16(11-31)42-26)39-15(24(37)38)10-12-6-2-1-3-7-12/h12-23,25-26,31-36H,1-11H2,(H,37,38)/t13-,14-,15+,16-,17+,18-,19+,20+,21-,22+,23-,25-,26-/m1/s1","","2017-11-13","2018-11-16","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid","2018-11-21"],["V2W","4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide","C16 H15 N O3","COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1;COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O","InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19)","","2021-04-08","2024-09-27","4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide","2021-06-09"],["V2X","(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide","C13 H16 N2 O2","CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2;Cc1cccc(c1)C2CC2C(=O)NNC(=O)C","InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1","","2023-02-21","2024-09-27","(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide","2023-11-15"],["C5I","3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile","C15 H15 N7 O","N#CCC(=O)N4CCCC(n3nnc2cnc1nccc1c23)C4;O=C(CC#N)N1CCC[CH](C1)n2nnc3cnc4[nH]ccc4c23;c1c[nH]c2c1c3c(cn2)nnn3C4CCCN(C4)C(=O)CC#N","InChI=1S/C15H15N7O/c16-5-3-13(23)21-7-1-2-10(9-21)22-14-11-4-6-17-15(11)18-8-12(14)19-20-22/h4,6,8,10H,1-3,7,9H2,(H,17,18)/t10-/m1/s1","","2012-12-10","2013-05-17","3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile","2013-05-22"],["V2Y","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-(2-azanyl-2-oxidanylidene-ethyl)benzamide","C32 H34 N12 O9","NC(=O)Cc1ccccc1C(=O)NC[CH]2O[CH]([CH](O)[CH]2O)n3c(nc4c(N)ncnc34)C#CCOC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67;c1ccc(c(c1)CC(=O)N)C(=O)NCC2C(C(C(O2)n3c(nc4c3ncnc4N)C#CCOCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O","InChI=1S/C32H34N12O9/c33-18(45)8-14-4-1-2-5-15(14)30(50)36-9-16-22(46)25(49)32(52-16)44-19(42-21-27(35)38-12-40-29(21)44)6-3-7-51-10-17-23(47)24(48)31(53-17)43-13-41-20-26(34)37-11-39-28(20)43/h1-2,4-5,11-13,16-17,22-25,31-32,46-49H,7-10H2,(H2,33,45)(H,36,50)(H2,34,37,39)(H2,35,38,40)/t16-,17-,22-,23-,24-,25-,31-,32-/m1/s1","","2023-09-07","2025-03-14","~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-(2-azanyl-2-oxidanylidene-ethyl)benzamide","2025-03-19"],["C5J","dicarbonimidic diamide","C2 H5 N3 O2","C(NC(N)=O)(=O)N;NC(=O)NC(N)=O;C(=O)(N)NC(=O)N","InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)","","2017-09-13","2018-02-16","dicarbonimidic diamide","2018-02-21"],["V2Z","3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE","C12 H13 N3 O","CCCC1=NC(=CNC1=O)c2cccnc2;CCCC1=NC(=CNC1=O)c2cccnc2","InChI=1S/C12H13N3O/c1-2-4-10-12(16)14-8-11(15-10)9-5-3-6-13-7-9/h3,5-8H,2,4H2,1H3,(H,14,16)","","2015-03-02","2015-05-08","3-propyl-5-pyridin-3-yl-1H-pyrazin-2-one","2015-05-13"],["C5K","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid","C28 H45 F3 O13","C[CH]1CCC[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2O)[CH]1O[CH]4O[CH]([CH](O)[CH](O)[CH]4O)C(F)(F)F;CC1CCCC(C1OC2C(C(C(C(O2)C(F)(F)F)O)O)O)OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)O","InChI=1S/C28H45F3O13/c1-12-6-5-9-14(22(12)43-26-20(36)18(34)19(35)24(44-26)28(29,30)31)41-27-21(37)23(17(33)16(11-32)42-27)40-15(25(38)39)10-13-7-3-2-4-8-13/h12-24,26-27,32-37H,2-11H2,1H3,(H,38,39)/t12-,14+,15-,16+,17-,18+,19-,20-,21+,22+,23-,24+,26+,27+/m0/s1","","2017-11-13","2018-11-16","(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid","2018-11-21"],["V30","2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide","C12 H15 N3 O3 S2","O=C1c2c(c(sc2N=C(SCC(=O)NCCO)N1)C)C;Cc1sc2N=C(NC(=O)c2c1C)SCC(=O)NCCO;Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C","InChI=1S/C12H15N3O3S2/c1-6-7(2)20-11-9(6)10(18)14-12(15-11)19-5-8(17)13-3-4-16/h16H,3-5H2,1-2H3,(H,13,17)(H,14,15,18)","","2010-08-09","2011-06-04","2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide",""],["C5L","2'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)","C13 H22 N3 O9 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)C)C(OCCOC)C2O;COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=NC2=O)N;CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)OCCOC","InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-10(23-4-3-22-2)9(17)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1","","2013-01-22","2013-11-22","2'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)","2013-11-27"],["V31","5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid","C14 H12 Br N O4 S","OC(=O)c1cc(Br)ccc1N[S](=O)(=O)Cc2ccccc2;c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br","InChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)","","2020-06-10","2021-06-18","5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid","2021-06-23"],["C5M","N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE","C27 H33 Cl N2 O4 S","Clc1cc(ccc1)CNC(Cc2ccccc2)C(O)CNS(=O)(=O)c3c(cc(OC)c(c3C)C)C;COc1cc(C)c(c(C)c1C)[S](=O)(=O)NC[CH](O)[CH](Cc2ccccc2)NCc3cccc(Cl)c3;Cc1cc(c(c(c1S(=O)(=O)NCC(C(Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC","InChI=1S/C27H33ClN2O4S/c1-18-13-26(34-4)19(2)20(3)27(18)35(32,33)30-17-25(31)24(15-21-9-6-5-7-10-21)29-16-22-11-8-12-23(28)14-22/h5-14,24-25,29-31H,15-17H2,1-4H3/t24-,25+/m0/s1","","2005-12-08","2011-06-04","N-{(2R,3S)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide",""],["V32","4-morpholin-4-ylcarbonylbenzaldehyde","C12 H13 N O3","O=Cc1ccc(cc1)C(=O)N2CCOCC2;c1cc(ccc1C=O)C(=O)N2CCOCC2","InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2","","2021-04-08","2024-09-27","4-morpholin-4-ylcarbonylbenzaldehyde","2021-06-09"],["C5N","~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide","C33 H40 N8 O2","CCc1cccc(CC)c1NC(=O)c2nn(C)c3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34;CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC","InChI=1S/C33H40N8O2/c1-6-21-9-8-10-22(7-2)28(21)36-32(42)30-25-13-11-23-20-34-33(37-29(23)31(25)40(4)38-30)35-26-14-12-24(19-27(26)43-5)41-17-15-39(3)16-18-41/h8-10,12,14,19-20H,6-7,11,13,15-18H2,1-5H3,(H,36,42)(H,34,35,37)","","2016-12-22","2017-07-21","~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide","2017-07-26"],["V33","(3-methoxyphenyl)acetic acid","C9 H10 O3","COc1cc(CC(=O)O)ccc1;COc1cccc(CC(O)=O)c1;COc1cccc(c1)CC(=O)O","InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)","","2022-08-29","2022-10-28","(3-methoxyphenyl)acetic acid","2022-11-02"],["C5O","1-bromanyl-4-methyl-benzene","C7 H7 Br","Cc1ccc(Br)cc1;Cc1ccc(cc1)Br","InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3","1-bromo-4-methylbenzene","2019-04-10","2022-06-17","1-bromanyl-4-methyl-benzene","2022-06-22"],["V34","ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","C27 H36 N4 O6","CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)c2[nH]c3cccc(OC)c3c2;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC","InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1","","2020-06-19","2024-09-27","ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate","2020-07-08"],["C5P","CYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","5'-cytidylic acid",""],["V35","D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID","C10 H14 B Cl N O4","Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O;CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)O;[B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O","InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1","D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID","1999-07-08","2024-09-27","[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)",""],["C5Q","5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid","C17 H13 N O4","O=C(O)c1c(ccc2OCOc12)Cc4c3ccccc3nc4;OC(=O)c1c(Cc2c[nH]c3ccccc23)ccc4OCOc14;c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C17H13NO4/c19-17(20)15-10(5-6-14-16(15)22-9-21-14)7-11-8-18-13-4-2-1-3-12(11)13/h1-6,8,18H,7,9H2,(H,19,20)","","2013-12-05","2013-12-13","5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid","2013-12-18"],["V36","L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID","C10 H14 B Cl N O4","Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O;CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)O;[B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O","InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1","L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID","1999-07-08","2024-09-27","[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)",""],["C5R","(2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid","C31 H38 N2 O3","CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1;CC(C)c1ccc2c(c1)CCC3C2(CCCC3(C)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O)C","InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1","N-Dehydroabietoyl-L-Tryptophan","2019-04-10","2021-03-01","(2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid","2020-03-18"],["V37","[(1R,5S)-8-PHENETHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE","C22 H25 N O2","O=C(OC1C[CH]2CC[CH](C1)N2CCc3ccccc3)c4ccccc4;c1ccc(cc1)CCN2C3CCC2CC(C3)OC(=O)c4ccccc4","InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+","","2011-01-12","2011-06-10","[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate",""],["C5S","N-formyl-D-aspartic acid","C5 H7 N O5","C(C(=O)O)C(C(O)=O)NC=O;OC(=O)C[CH](NC=O)C(O)=O;C(C(C(=O)O)NC=O)C(=O)O","InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1","","2017-09-13","2024-09-27","N-formyl-D-aspartic acid","2018-02-21"],["V38","[(1R,5S)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE","C23 H28 N O3","C[N+]1(C[CH](O)c2ccccc2)[CH]3CC[CH]1C[CH](C3)OC(=O)c4ccccc4;C[N+]1(C2CCC1CC(C2)OC(=O)c3ccccc3)CC(c4ccccc4)O","InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22-,24+/m0/s1","","2011-01-12","2011-06-10","[(1R,5S)-8-[(2R)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate",""],["C5U","dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","C17 H18 N2 O6","COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N](=O)=O)C(=O)OC)C;CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC","InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3","","2019-04-10","2019-06-07","dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","2019-06-12"],["V39","3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol","C14 H15 N O3","Cc1c(cccc1O)OCc2cccc(n2)CO;Cc1c(O)cccc1OCc2cccc(CO)n2;Cc1c(cccc1OCc2cccc(n2)CO)O","InChI=1S/C14H15NO3/c1-10-13(17)6-3-7-14(10)18-9-12-5-2-4-11(8-16)15-12/h2-7,16-17H,8-9H2,1H3","","2020-06-11","2020-12-18","3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol","2020-12-23"],["C5V","(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide","C24 H19 N3 O3","C(c3ccc(NC(C1CC1c2cnccc2)=O)cc3)N4C(c5c(C4=O)cccc5)=O;O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[CH]4C[CH]4c5cccnc5;c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)C4CC4c5cccnc5","InChI=1S/C24H19N3O3/c28-22(21-12-20(21)16-4-3-11-25-13-16)26-17-9-7-15(8-10-17)14-27-23(29)18-5-1-2-6-19(18)24(27)30/h1-11,13,20-21H,12,14H2,(H,26,28)/t20-,21+/m1/s1","","2017-09-13","2018-09-07","(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide","2018-09-12"],["V3A","9-{2-deoxy-5-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine","C11 H17 F N5 O11 P3","P(=O)(O)(OP(O)(C(P(=O)(O)O)F)=O)OCC3OC(n1cnc2c1ncnc2N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O)N","InChI=1S/C11H17FN5O11P3/c12-11(29(19,20)21)30(22,23)28-31(24,25)26-2-6-5(18)1-7(27-6)17-4-16-8-9(13)14-3-15-10(8)17/h3-7,11,18H,1-2H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t5-,6+,7-,11+/m0/s1","","2018-03-22","2018-06-29","9-{2-deoxy-5-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine","2018-07-04"],["C5W","2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid","C25 H28 N6 O4","COc1ncc(cc1C(O)=O)c2cc3n[nH]cc3c(c2)c4oc(CN5CCN(CC5)C(C)C)cn4;CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O","InChI=1S/C25H28N6O4/c1-15(2)31-6-4-30(5-7-31)14-18-12-27-24(35-18)19-8-16(10-22-21(19)13-28-29-22)17-9-20(25(32)33)23(34-3)26-11-17/h8-13,15H,4-7,14H2,1-3H3,(H,28,29)(H,32,33)","","2017-11-14","2024-09-27","2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid","2017-12-20"],["C5X","3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside","C10 H18 O6","O(CCCC1OC1)C2OCC(O)C(O)C2O;O[CH]1CO[CH](OCCC[CH]2CO2)[CH](O)[CH]1O;C1C(O1)CCCOC2C(C(C(CO2)O)O)O","InChI=1S/C10H18O6/c11-7-5-16-10(9(13)8(7)12)14-3-1-2-6-4-15-6/h6-13H,1-5H2/t6-,7-,8+,9-,10-/m1/s1","4,5-EPOXYPENTYL-BETA-D-XYLOSIDE; 3-[(2R)-oxiran-2-yl]propyl beta-D-xyloside; 3-[(2R)-oxiran-2-yl]propyl D-xyloside;\n3-[(2R)-oxiran-2-yl]propyl xyloside","1999-07-08","2020-07-17","3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside",""],["V3B","4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide","C15 H19 N3 O3","CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2;CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O","InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3","","2021-04-08","2024-09-27","4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide","2021-06-09"],["V3C","Trans-4-athyl-L-proline","C7 H13 N O2","CC[CH]1CN[CH](C1)C(O)=O;CCC1CC(NC1)C(=O)O","InChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1","(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid; ethyl-L-proline","2023-02-21","2024-09-27","(2~{S},4~{R})-4-ethylpyrrolidine-2-carboxylic acid","2023-11-29"],["C5Y","5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine","C18 H28 N5 O8 P","CCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C18H28N5O8P/c1-2-3-4-5-6-7-12(24)31-32(27,28)29-8-11-14(25)15(26)18(30-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1","","2021-11-19","2021-12-31","5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine","2022-01-05"],["V3D","(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate","C32 H35 N5 O7","COc1cccc2c1cc(n2)C(NC(C(=O)NC(C(=O)COC(c3ccccc3C#N)=O)CC4CCNC4=O)CC(C)C)=O;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O)COC(=O)c4ccccc4C#N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC","InChI=1S/C32H35N5O7/c1-18(2)13-25(37-31(41)26-15-22-23(35-26)9-6-10-28(22)43-3)30(40)36-24(14-19-11-12-34-29(19)39)27(38)17-44-32(42)21-8-5-4-7-20(21)16-33/h4-10,15,18-19,24-25,35H,11-14,17H2,1-3H3,(H,34,39)(H,36,40)(H,37,41)/t19-,24-,25-/m0/s1","","2020-06-19","2024-09-27","(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate","2020-07-08"],["C5Z","methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate","C26 H30 N6 O4","COC(=O)c1cc(cnc1OC)c2cc3n[nH]cc3c(c2)c4oc(CN5CCN(CC5)C(C)C)cn4;CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC","InChI=1S/C26H30N6O4/c1-16(2)32-7-5-31(6-8-32)15-19-13-28-25(36-19)20-9-17(11-23-22(20)14-29-30-23)18-10-21(26(33)35-4)24(34-3)27-12-18/h9-14,16H,5-8,15H2,1-4H3,(H,29,30)","","2017-11-14","2017-12-22","methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate","2017-12-27"],["V3E","(2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoic acid","C10 H13 N O3","COC(=O)[CH](N)Cc1ccccc1O;COC(=O)C(Cc1ccccc1O)N","InChI=1S/C10H13NO3/c1-14-10(13)8(11)6-7-4-2-3-5-9(7)12/h2-5,8,12H,6,11H2,1H3/t8-/m0/s1","","2023-07-05","2024-11-12","methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate","2023-08-23"],["C60","[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE","C39 H63 N5 O6 S","CCCCNC(=O)[CH](C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2[nH]cnc2)NC(=O)[CH](Cc3ccccc3)C[S](=O)(=O)C(C)(C)C)C(C)C;CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C","InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1","","1999-07-08","2013-03-04","N-butyl-5-[[2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanamide",""],["V3F","(5S)-5-methyl-5-phenylimidazolidine-2,4-dione","C10 H10 N2 O2","CC1(NC(=O)NC1=O)c1ccccc1;C[C]1(NC(=O)NC1=O)c2ccccc2;CC1(C(=O)NC(=O)N1)c2ccccc2","InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1","","2022-08-29","2022-10-28","(5S)-5-methyl-5-phenylimidazolidine-2,4-dione","2022-11-02"],["C61","(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE","C27 H48 N2 O5","O=C(NCCCC)C(C)CC(O)C(N)CC(C(C)C)Cc1cc(OCCCOC)c(OC)cc1;CCCCNC(=O)[CH](C)C[CH](O)[CH](N)C[CH](Cc1ccc(OC)c(OCCCOC)c1)C(C)C;CCCCNC(=O)C(C)CC(C(CC(Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O","InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1","","2007-05-21","2011-06-04","(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide",""],["V3H","(2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid","C23 H30 N3 O6 S","CCCCOC(=O)[CH](NC(=O)c1c(C)onc1c2ccccc2)[CH]3[NH2+][CH](C(O)=O)C(C)(C)S3;CCCCOC(=O)C(C1[NH2+]C(C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C","InChI=1S/C23H29N3O6S/c1-5-6-12-31-22(30)17(20-25-18(21(28)29)23(3,4)33-20)24-19(27)15-13(2)32-26-16(15)14-10-8-7-9-11-14/h7-11,17-18,20,25H,5-6,12H2,1-4H3,(H,24,27)(H,28,29)/p+1/t17-,18-,20+/m0/s1","Hydrolyzed Oxacillin","2021-04-09","2022-04-15","(2~{R},4~{S})-2-[(1~{R})-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid","2022-04-20"],["C62","4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE","C14 H10 N2 O5 S2","O=C1C(SC(=O)N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3;N[S](=O)(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=O)NC3=O;c1cc(ccc1c2ccc(o2)C=C3C(=O)NC(=O)S3)S(=O)(=O)N","InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-","","2007-04-30","2011-06-04","4-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide",""],["V3J","(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone","C11 H11 N3 O2 S","C3N(C(c2ccc1c(nns1)c2)=O)CCOC3;O=C(N1CCOCC1)c2ccc3snnc3c2;c1cc2c(cc1C(=O)N3CCOCC3)nns2","InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2","","2020-06-19","2020-06-26","(1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone","2020-07-01"],["C63","(2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate","C20 H43 O5 P","O=P(OCC(OCCCCCC)COCCCCCC)(O)CCCCC;CCCCCCOC[CH](CO[P](O)(=O)CCCCC)OCCCCCC;CCCCCCOCC(COP(=O)(CCCCC)O)OCCCCCC","InChI=1S/C20H43O5P/c1-4-7-10-12-15-23-18-20(24-16-13-11-8-5-2)19-25-26(21,22)17-14-9-6-3/h20H,4-19H2,1-3H3,(H,21,22)/t20-/m1/s1","","2014-04-16","2024-09-27","(2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate","2014-08-27"],["V3K","4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide","C13 H13 N3 O2","Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1;Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O","InChI=1S/C13H13N3O2/c1-16-8-11(7-15-16)6-14-13(18)12-4-2-10(9-17)3-5-12/h2-5,7-9H,6H2,1H3,(H,14,18)","","2021-04-09","2024-09-27","4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide","2021-06-09"],["C64","N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide","C18 H13 Br N4 O S","Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1;c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4","InChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24)","","2009-11-09","2011-06-04","N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]ethanamide",""],["V3L","2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)","C15 H23 N5 O14 P2","O=P(O)(O)OCC4OC(n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O)(O)O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OC4C(C(C(O4)COP(=O)(O)O)O)O)N","InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","","2011-12-21","2014-05-29","2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)",""],["C65","(2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide","C15 H13 N3 O2","c1cccc(c1)N=Nc2ccc(cc2)C=CC(NO)=O;ONC(=O)C=Cc1ccc(cc1)N=Nc2ccccc2;c1ccc(cc1)N=Nc2ccc(cc2)C=CC(=O)NO","InChI=1S/C15H13N3O2/c19-15(18-20)11-8-12-6-9-14(10-7-12)17-16-13-4-2-1-3-5-13/h1-11,20H,(H,18,19)/b11-8+,17-16+","","2016-05-04","2016-11-18","(2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide","2016-11-23"],["V3M","2-deoxy-2-fluoro-alpha-D-arabinofuranose","C5 H9 F O4","OC1OC(CO)C(C1F)O;OC[CH]1O[CH](O)[CH](F)[CH]1O;C(C1C(C(C(O1)O)F)O)O","InChI=1S/C5H9FO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3+,4-,5+/m1/s1","","2020-06-20","2024-09-27","2-deoxy-2-fluoro-alpha-D-arabinofuranose","2020-07-01"],["C66","2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-CYTOSINE","C14 H24 N6 O4","O=C1N=C(C=CN1CC(=O)N(C(C(=O)O)CCCCN)CCN)N;NCCCC[CH](N(CCN)C(=O)CN1C=CC(=NC1=O)N)C(O)=O;C1=CN(C(=O)N=C1N)CC(=O)N(CCN)C(CCCCN)C(=O)O","InChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1","","2003-02-19","2024-09-27","N~2~-(2-aminoethyl)-N~2~-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-D-lysine",""],["V3N","4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide","C14 H17 N O3","O=Cc1ccc(cc1)C(=O)NCC2CCOCC2;c1cc(ccc1C=O)C(=O)NCC2CCOCC2","InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17)","","2021-04-09","2024-09-27","4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide","2021-06-09"],["C67","N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine","C9 H18 N4 O4","NC(C(=O)O)CCCNC(=N)NCCC(O)=O;N[CH](CCCNC(=N)NCCC(O)=O)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NCCC(=O)O","InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1","","2017-09-13","2024-09-27","N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine","2017-12-13"],["V3O","N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide","C15 H13 Cl N4 O S2","CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1;CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2;Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl","InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21)","","2023-09-07","2023-09-22","N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide","2023-09-27"],["C68","(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid","C12 H19 N O8","CC(C)C[CH](OC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(C)CC(C(=O)O)OC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C12H19NO8/c1-6(2)5-8(11(18)19)21-12(20)13-7(10(16)17)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1","","2017-11-15","2018-12-07","(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid","2018-12-12"],["V3P","4-iodophenyl 1,4-dithio-beta-D-glucopyranoside","C12 H15 I O4 S2","C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S;OC[CH]1O[CH](Sc2ccc(I)cc2)[CH](O)[CH](O)[CH]1S;c1cc(ccc1SC2C(C(C(C(O2)CO)S)O)O)I","InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1","","2020-06-21","2020-07-17","4-iodophenyl 1,4-dithio-beta-D-glucopyranoside","2020-07-01"],["C69","(2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one","C17 H16 Br N O3 S","O=C2N(c1c(OC)cc(OC)cc1)C(SC2)c3cccc(Br)c3;COc1ccc(N2[CH](SCC2=O)c3cccc(Br)c3)c(OC)c1;COc1ccc(c(c1)OC)N2C(SCC2=O)c3cccc(c3)Br","InChI=1S/C17H16BrNO3S/c1-21-13-6-7-14(15(9-13)22-2)19-16(20)10-23-17(19)11-4-3-5-12(18)8-11/h3-9,17H,10H2,1-2H3/t17-/m0/s1","","2012-08-31","2013-02-08","(2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one","2013-02-08"],["V3Q","4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide","C16 H15 N O3","COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1;COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O","InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19)","","2021-04-09","2024-09-27","4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide","2021-06-09"],["C6A","N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide","C29 H38 F2 N2 O3","Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC2c4c(OC(C2)C3CC3)ccc(c4)CC(C)(C)C;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)CN[CH]2C[CH](Oc3ccc(CC(C)(C)C)cc23)C4CC4;CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2CC(Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O","InChI=1S/C29H38F2N2O3/c1-17(34)33-25(12-19-9-21(30)13-22(31)10-19)26(35)16-32-24-14-28(20-6-7-20)36-27-8-5-18(11-23(24)27)15-29(2,3)4/h5,8-11,13,20,24-26,28,32,35H,6-7,12,14-16H2,1-4H3,(H,33,34)/t24-,25-,26+,28+/m0/s1","","2011-02-08","2012-03-23","N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide",""],["V3R","(2S)-4-(3,4-difluorophenyl)butan-2-amine","C10 H13 F2 N","Fc1ccc(CCC(C)N)cc1F;C[CH](N)CCc1ccc(F)c(F)c1;CC(CCc1ccc(c(c1)F)F)N","InChI=1S/C10H13F2N/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1","","2022-08-29","2022-10-28","(2S)-4-(3,4-difluorophenyl)butan-2-amine","2022-11-02"],["C6B","[(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](O)(O)=O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1","","2008-11-30","2011-06-04","4-amino-1-(3-O-phosphono-beta-L-lyxofuranosyl)pyrimidin-2(1H)-one",""],["V3S","(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide","C16 H21 N5 O2","c3n(c(c2cccc(NC(=O)C1CCCCO1)n2)nn3)C(C)C;CC(C)n1cnnc1c2cccc(NC(=O)[CH]3CCCCO3)n2;CC(C)n1cnnc1c2cccc(n2)NC(=O)C3CCCCO3","InChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1","","2020-06-22","2020-08-07","(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide","2020-08-12"],["C6C","S-CYCLOHEXYL THIOCYSTEINE","C9 H17 N O2 S2","O=C(O)C(N)CSSC1CCCCC1;N[CH](CSSC1CCCCC1)C(O)=O;C1CCC(CC1)SSCC(C(=O)O)N","InChI=1S/C9H17NO2S2/c10-8(9(11)12)6-13-14-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1","","1999-07-08","2024-09-27","3-(cyclohexyldisulfanyl)-L-alanine",""],["V3T","4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide","C13 H13 N3 O2","Cn1ccnc1CNC(=O)c2ccc(C=O)cc2;Cn1ccnc1CNC(=O)c2ccc(cc2)C=O","InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18)","","2021-04-09","2024-09-27","4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide","2021-06-09"],["C6D","N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine","C9 H20 N4 O3","NC(C(=O)O)CCCNC(=N)NCCCO;N[CH](CCCNC(=N)NCCCO)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NCCCO","InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1","","2017-09-13","2024-09-27","N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine","2017-12-13"],["C6F","6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide","C29 H44 N8 O3","CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5;CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5","InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)","gilteritinib","2019-04-10","2021-03-01","6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide","2019-11-20"],["V3U","4-bromanyl-1-(2-methoxyethyl)pyridin-2-one","C8 H10 Br N O2","COCCN1C=CC(=CC1=O)Br;COCCN1C=CC(=CC1=O)Br","InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3","","2023-02-21","2023-03-17","4-bromanyl-1-(2-methoxyethyl)pyridin-2-one","2023-03-22"],["V3V","2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid","C25 H18 Cl F N6 O4","O=C(O)c5ccnc(NC(C3=C(NC(Nc2nc1c(cc(F)cc1)o2)=NC3c4ccccc4Cl)C)=O)c5;CC1=C([CH](N=C(N1)Nc2oc3cc(F)ccc3n2)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(O)=O;CC1=C(C(N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O","InChI=1S/C25H18ClFN6O4/c1-12-20(22(34)31-19-10-13(23(35)36)8-9-28-19)21(15-4-2-3-5-16(15)26)32-24(29-12)33-25-30-17-7-6-14(27)11-18(17)37-25/h2-11,21H,1H3,(H,35,36)(H,28,31,34)(H2,29,30,32,33)/t21-/m0/s1","","2020-06-22","2021-09-24","2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid","2021-09-29"],["C6G","6-(carboxymethoxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine","C12 H16 N5 O9 P","O=C(O)COc3nc(nc1c3ncn1C2OC(C(O)C2)COP(=O)(O)O)N;Nc1nc(OCC(O)=O)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N","InChI=1S/C12H16N5O9P/c13-12-15-10-9(11(16-12)24-3-8(19)20)14-4-17(10)7-1-5(18)6(26-7)2-25-27(21,22)23/h4-7,18H,1-3H2,(H,19,20)(H2,13,15,16)(H2,21,22,23)/t5-,6+,7+/m0/s1","","2012-04-28","2012-06-15","6-(carboxymethoxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine",""],["V3W","4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde","C14 H17 N O3","COC1CCN(CC1)C(=O)c2ccc(C=O)cc2;COC1CCN(CC1)C(=O)c2ccc(cc2)C=O","InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3","","2021-04-09","2024-09-27","4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde","2021-06-09"],["C6H","1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one","C24 H33 Cl N2 O2","COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)CC4CCCCC4;COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl","InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3","MR28926","2017-11-15","2020-06-17","1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one","2018-11-21"],["V3X","(2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide","C16 H21 F N2 O2 S","CC(C)[CH](S)C(=O)N[CH](CO)Cc1c[nH]c2cccc(F)c12;CC(C)C(C(=O)NC(Cc1c[nH]c2c1c(ccc2)F)CO)S","InChI=1S/C16H21FN2O2S/c1-9(2)15(22)16(21)19-11(8-20)6-10-7-18-13-5-3-4-12(17)14(10)13/h3-5,7,9,11,15,18,20,22H,6,8H2,1-2H3,(H,19,21)/t11-,15-/m0/s1","","2023-07-05","2024-04-12","(2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide","2024-04-17"],["C6I","6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one","C13 H16 F N3 O","Nc1cc2CN(C3CCCCC3)C(=O)c2c(F)n1;c1c2c(c(nc1N)F)C(=O)N(C2)C3CCCCC3","InChI=1S/C13H16FN3O/c14-12-11-8(6-10(15)16-12)7-17(13(11)18)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H2,15,16)","","2021-12-14","2022-10-14","6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one","2022-10-19"],["V3Z","(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate","C10 H11 N O6 S","CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O;CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O","InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3","","2021-04-12","2024-09-27","(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate","2021-06-09"],["C6J","2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium","C8 H14 N O6 P2","O=P(O)(O)C(Cc1cccc[n+]1C)P(=O)(O)O;C[n+]1ccccc1CC([P](O)(O)=O)[P](O)(O)=O;C[n+]1ccccc1CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H13NO6P2/c1-9-5-3-2-4-7(9)6-8(16(10,11)12)17(13,14)15/h2-5,8H,6H2,1H3,(H3-,10,11,12,13,14,15)/p+1","","2017-09-14","2024-04-25","2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium","2017-12-13"],["V40","(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol","C12 H24 N2 O","NCC1CCCCC1CN1CCCC1O;NC[CH]1CCCC[CH]1CN2CCC[CH]2O;C1CCC(C(C1)CN)CN2CCCC2O","InChI=1S/C12H24N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h10-12,15H,1-9,13H2/t10-,11-,12-/m0/s1","","2022-08-29","2022-10-28","(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol","2022-11-02"],["C6K","1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one","C24 H27 Cl N2 O2","COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)Cc4ccccc4;COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl","InChI=1S/C24H27ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h2-6,9,12,15,17,26H,7-8,10-11,13-14,16H2,1H3","","2017-11-15","2018-11-16","1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one","2018-11-21"],["V41","(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide","C9 H11 N5 O","N(=N/C(C(N)=O)/C(N)=N)c1ccccc1;NC(=N)[CH](N=Nc1ccccc1)C(N)=O;c1ccc(cc1)N=NC(C(=N)N)C(=O)N","InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1","","2020-06-22","2021-06-18","(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide","2021-06-23"],["C6L","N-hexanoyl-L-homoserine","C10 H19 N O4","O=C(O)C(NC(=O)CCCCC)CCO;CCCCCC(=O)N[CH](CCO)C(O)=O;CCCCCC(=O)NC(CCO)C(=O)O","InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1","","2008-06-18","2011-06-04","N-hexanoyl-L-homoserine",""],["V42","(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate","C11 H9 N3 O6 S","Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O;Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O","InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3","","2021-04-12","2024-09-27","(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate","2021-06-09"],["C6M","2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium","C10 H18 N O6 P2","O=P(O)(O)C(Cc1cccc[n+]1CCC)P(=O)(O)O;CCC[n+]1ccccc1CC([P](O)(O)=O)[P](O)(O)=O;CCC[n+]1ccccc1CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C10H17NO6P2/c1-2-6-11-7-4-3-5-9(11)8-10(18(12,13)14)19(15,16)17/h3-5,7,10H,2,6,8H2,1H3,(H3-,12,13,14,15,16,17)/p+1","","2017-09-14","2024-04-25","2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium","2017-12-13"],["V44","S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine","C13 H19 N5 O2 S","C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O;Cn1ccnc1C(CSC[CH](N)C(O)=O)c2nccn2C;Cn1ccnc1C(CSCC(C(=O)O)N)c2nccn2C","InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1","","2020-06-23","2024-09-27","S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine","2021-06-30"],["C6N","6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)hexyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C47 H84 O22","O(CC(CCCCC1CCCCC1)(CCCCC2CCCCC2)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)C6OC(C(OC5OC(CO)C(O)C(O)C5O)C(O)C6O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCC(CCCCC3CCCCC3)(CCCCC4CCCCC4)CO[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)COC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O","InChI=1S/C47H84O22/c48-19-27-31(52)33(54)37(58)45(64-27)68-41-29(21-50)66-43(39(60)35(41)56)62-23-47(17-9-7-15-25-11-3-1-4-12-25,18-10-8-16-26-13-5-2-6-14-26)24-63-44-40(61)36(57)42(30(22-51)67-44)69-46-38(59)34(55)32(53)28(20-49)65-46/h25-46,48-61H,1-24H2/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1","","2014-09-25","2014-10-17","6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)hexyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","2014-10-22"],["V45","(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide","C23 H30 Cl N3 O5","C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl;CC(C)C[CH](N1C[CH](Cc2cccc(Cl)c2)OC1=O)C(=O)N[CH](C[CH]3CCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl","InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1","","2017-07-14","2024-09-27","(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide","2017-12-13"],["C6O","6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one","C34 H39 Cl F N7 O2","CCC(=O)N1CCC[CH](C1)N2C(=O)C(=C(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc23)c6cccc(F)c6Cl;CCC(=O)N1CCCC(C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C","InChI=1S/C34H39ClFN7O2/c1-5-29(44)42-13-7-8-24(20-42)43-32-26(22(3)30(33(43)45)25-9-6-10-27(36)31(25)35)19-37-34(39-32)38-23-11-12-28(21(2)18-23)41-16-14-40(4)15-17-41/h6,9-12,18-19,24H,5,7-8,13-17,20H2,1-4H3,(H,37,38,39)/t24-/m0/s1","","2019-04-11","2020-04-10","6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3~{S})-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one","2020-04-15"],["V46","(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C21 H30 Cl N3 O8 S","CC(C)CC(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCc1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)Cl","InChI=1S/C21H30ClN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-05-04"],["C6P","N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE","C11 H17 N2 O7 P S","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CS)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CS)C(=O)O)O","InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1","4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM","2006-09-22","2021-03-01","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine",""],["V47","9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine","C19 H19 N5 O6","OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N;Nc1ncnc2n(cnc12)[CH]3O[CH](CCC(=O)c4cccc(c4)C(O)=O)[CH](O)[CH]3O;c1cc(cc(c1)C(=O)O)C(=O)CCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1","Aminofutalosine","2020-06-23","2021-03-01","9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine","2020-07-15"],["C6Q","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide","C36 H63 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCc2ccccc2;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O","InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1","(2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL","2009-04-06","2020-06-17","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide",""],["V48","(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate","C16 H13 N O6","COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1;COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O","InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3","","2021-04-12","2024-09-27","(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate","2021-06-09"],["C6R","N-[3-[(4S,5R)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","C23 H21 F2 N5 O2 S","C[C]1(N=C(N)SC[CH]1c2ccccc2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F;CC1(C(CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF","InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23-/m1/s1","","2019-04-11","2019-08-23","~{N}-[3-[(4~{S},5~{R})-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","2019-08-28"],["V49","4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","C13 H6 F4 N2 O2 S3","N[S](=O)(=O)c1c(F)c(F)c(Sc2sc3ccccc3n2)c(F)c1F;c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F","InChI=1S/C13H6F4N2O2S3/c14-7-9(16)12(24(18,20)21)10(17)8(15)11(7)23-13-19-5-3-1-2-4-6(5)22-13/h1-4H,(H2,18,20,21)","","2016-07-27","2017-08-11","4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","2017-08-16"],["C6S","(3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","C16 H20 B N O5","OB1Oc2c(C[CH]1NC(=O)C3CCCCC3)cccc2C(O)=O;B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O","InChI=1S/C16H20BNO5/c19-15(10-5-2-1-3-6-10)18-13-9-11-7-4-8-12(16(20)21)14(11)23-17(13)22/h4,7-8,10,13,22H,1-3,5-6,9H2,(H,18,19)(H,20,21)/t13-/m0/s1","","2015-12-08","2024-09-27","(3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid","2016-08-17"],["V4A","Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]","C22 H16 N8 Pt","c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8;[Pt++].c1ccc(nc1)c2nnc3ccccn23.c4ccc(nc4)c5nnc6ccccn56;C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7","InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11;/h2*1-8H;/q;;+2","","2020-06-24","2025-11-10","bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+)","2020-11-04"],["C6T","2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine","C11 H20 N3 O12 P3","O=P(O)(O)CP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)N[P](O)(=O)C[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C11H20N3O12P3/c1-6-3-14(11(17)12-10(6)16)9-2-7(15)8(26-9)4-25-29(23,24)13-27(18,19)5-28(20,21)22/h3,7-9,15H,2,4-5H2,1H3,(H,12,16,17)(H2,20,21,22)(H3,13,18,19,23,24)/t7-,8+,9+/m0/s1","","2014-11-13","2015-06-26","2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine","2015-07-01"],["V4B","[5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate","C15 H9 F3 N2 O5","Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F;Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O","InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3","","2021-04-12","2024-09-27","(5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate","2021-06-09"],["C6U","N-[3-[(4S)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide","C17 H16 Cl F N4 O S","C[C]1(CCSC(=N1)N)c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F;CC1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl","InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1","","2019-04-11","2019-08-23","~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide","2019-08-28"],["C6V","LSZ102","C25 H17 F3 O4 S","[C@H](c4ccc(Oc3c1c(cc(cc1)O)sc3c2c(C(C)(F)F)cc(cc2)F)cc4)=[C@H]C(=O)O;CC(F)(F)c1cc(F)ccc1c2sc3cc(O)ccc3c2Oc4ccc(C=CC(O)=O)cc4;CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)C=CC(=O)O)F)(F)F","InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+","(2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid","2017-09-15","2021-03-13","(2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid","2018-04-04"],["V4C","N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide","C11 H19 N3 O2 S","O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1;CC(C)CN(C1CC1)[S](=O)(=O)c2cnn(C)c2;CC(C)CN(C1CC1)S(=O)(=O)c2cnn(c2)C","InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3","","2022-08-29","2022-10-28","N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide","2022-11-02"],["V4D","4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide","C17 H15 N7 O3 S","c4c(S(N)(=O)=O)ccc(Nc1nc(N)nc(n1)Oc2cc3c(cc2)ncc3)c4;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc(Oc3ccc4[nH]ccc4c3)n1;c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N","InChI=1S/C17H15N7O3S/c18-15-22-16(21-11-1-4-13(5-2-11)28(19,25)26)24-17(23-15)27-12-3-6-14-10(9-12)7-8-20-14/h1-9,20H,(H2,19,25,26)(H3,18,21,22,23,24)","","2020-06-25","2020-11-20","4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide","2020-11-25"],["C6W","3-Cyclohexyl-1-Propylphosphocholine","C14 H24 N O4 P","[O-]P(=O)(OCC[N+](C)(C)C)OCCCc1ccccc1;C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1;C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1","InChI=1S/C14H24NO4P/c1-15(2,3)11-13-19-20(16,17)18-12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3","","2012-10-29","2014-09-05","3-phenylpropyl 2-(trimethylammonio)ethyl phosphate","2013-10-30"],["V4E","Thiamine Triphosphate","C12 H20 N4 O10 P3 S","Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1","","2015-06-24","2015-07-31","[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2015-08-05"],["C6X","3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide","C23 H18 N4 O2","CN1C(=O)c2cccc3N(Cc4cccc(c4)C(N)=O)c5ncccc5C=C1c23;CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N","InChI=1S/C23H18N4O2/c1-26-19-12-16-7-4-10-25-22(16)27(13-14-5-2-6-15(11-14)21(24)28)18-9-3-8-17(20(18)19)23(26)29/h2-12H,13H2,1H3,(H2,24,28)","","2019-04-12","2020-02-21","","2020-02-26"],["V4F","8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid","C12 H13 N2 O6 P","NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O;c1cc(c2c(c1)c(cc(n2)C(=O)O)OCP(=O)(O)O)CN","InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19)","","2023-02-21","2024-09-27","8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid","2023-07-19"],["C6Z","6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol","C11 H8 Cl2 N2 S","Sc1ccc(Cc2ccc(Cl)cc2Cl)nn1;c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S","InChI=1S/C11H8Cl2N2S/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16)","","2017-11-15","2018-03-29","6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol","2018-04-04"],["V4H","4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde","C13 H15 N O3","O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2;c1cc(ccc1C=O)C(=O)N2CCCC(C2)O","InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1","","2021-04-12","2024-09-27","4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde","2021-06-09"],["C7","N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide","C17 H15 F3 N2 O3","O=C(NO)CCc1c(cccc1)NC(c2cc(ccc2)C(F)(F)F)=O;ONC(=O)CCc1ccccc1NC(=O)c2cccc(c2)C(F)(F)F;c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F","InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23)","","2019-03-27","2020-03-27","N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide","2020-04-01"],["V4I","3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid","C19 H19 N7 O3 S","OC(=O)c1cccc(CC(=O)Nc2sc(N[CH]3CCN(C3)c4cccnn4)nn2)c1;c1cc(cc(c1)C(=O)O)CC(=O)Nc2nnc(s2)NC3CCN(C3)c4cccnn4","InChI=1S/C19H19N7O3S/c27-16(10-12-3-1-4-13(9-12)17(28)29)22-19-25-24-18(30-19)21-14-6-8-26(11-14)15-5-2-7-20-23-15/h1-5,7,9,14H,6,8,10-11H2,(H,21,24)(H,28,29)(H,22,25,27)/t14-/m1/s1","","2023-07-05","2023-10-06","3-[2-oxidanylidene-2-[[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid","2023-10-11"],["C70","2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide","C18 H18 Cl N5 O S","Clc4ccc(c2sc1c(nnc(c1c2)NC3CCCNC3)C(=O)N)cc4;NC(=O)c1nnc(N[CH]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4;c1cc(ccc1c2cc3c(s2)c(nnc3NC4CCCNC4)C(=O)N)Cl","InChI=1S/C18H18ClN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24)/t12-/m0/s1","","2010-10-20","2011-06-04","2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide",""],["V4J","2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate","C18 H32 N2 O5 S","C(CCC(OCCOCCCC(CC)O)=O)CC1C2C(CS1)NC(N2)=O;CC[CH](O)CCCOCCOC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;CCC(CCCOCCOC(=O)CCCCC1C2C(CS1)NC(=O)N2)O","InChI=1S/C18H32N2O5S/c1-2-13(21)6-5-9-24-10-11-25-16(22)8-4-3-7-15-17-14(12-26-15)19-18(23)20-17/h13-15,17,21H,2-12H2,1H3,(H2,19,20,23)/t13-,14+,15+,17+/m1/s1","","2020-06-25","2022-01-14","2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate","2022-01-19"],["C71","N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE","C23 H36 N4 O5 S2","O=S3(=O)CCC(NC(=O)C(N/C(=N/S(=O)(=O)c1ccccc1)C)CC2(C)CCCC2)(CC3)CN;CC(N[CH](CC1(C)CCCC1)C(=O)NC2(CN)CC[S](=O)(=O)CC2)=N[S](=O)(=O)c3ccccc3;CC(=NS(=O)(=O)c1ccccc1)NC(CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN","InChI=1S/C23H36N4O5S2/c1-18(27-34(31,32)19-8-4-3-5-9-19)25-20(16-22(2)10-6-7-11-22)21(28)26-23(17-24)12-14-33(29,30)15-13-23/h3-5,8-9,20H,6-7,10-17,24H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1","","2006-02-03","2024-09-27","N-[4-(aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N~2~-[(1E)-N-(phenylsulfonyl)ethanimidoyl]-L-alaninamide",""],["V4K","4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde","C15 H19 N O3","OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2;c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO","InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2","","2021-04-12","2024-09-27","4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde","2021-06-09"],["C72","2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide","C19 H19 Cl N4 O S","Clc4ccc(c2sc1c(cnc(c1c2)NC3CCCNC3)C(=O)N)cc4;NC(=O)c1cnc(N[CH]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4;c1cc(ccc1c2cc3c(s2)c(cnc3NC4CCCNC4)C(=O)N)Cl","InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1","","2010-12-01","2011-06-04","2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide",""],["V4L","N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide","C14 H22 N2 O","NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1;CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1;Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N","InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17)","","2022-08-29","2022-10-28","N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide","2022-11-02"],["C73","2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide","C17 H19 Cl N4 O2 S","O=C(Nc2sc(cc2C(=O)NC1CCCNC1)c3ccc(Cl)cc3)N;NC(=O)Nc1sc(cc1C(=O)N[CH]2CCCNC2)c3ccc(Cl)cc3;c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)NC3CCCNC3)Cl","InChI=1S/C17H19ClN4O2S/c18-11-5-3-10(4-6-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1","","2010-12-01","2011-06-04","2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide",""],["V4M","2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide","C22 H18 Cl F2 N3 O4","c2cc4C(N(C1CCC(NC1=O)=O)Cc4cc2CNC(C(F)(F)c3ccc(cc3)Cl)=O)=O;FC(F)(C(=O)NCc1ccc2c(CN([CH]3CCC(=O)NC3=O)C2=O)c1)c4ccc(Cl)cc4;c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)C4CCC(=O)NC4=O)(F)F)Cl","InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)/t17-/m0/s1","","2020-06-26","2020-11-27","2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide","2020-12-02"],["C74","4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine","C16 H15 N4 O4 S","O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23;c1cc(cc(c1)O[S+](=O)=O)c2c[nH]c3c2c(ncn3)N4CCOCC4","InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1","","2023-05-23","2024-04-12","4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine","2024-04-17"],["V4N","(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate","C14 H8 Cl N O5","[O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2;c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O","InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H","","2021-04-12","2024-09-27","(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate","2021-06-09"],["C75","4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE","C15 H13 N3 O4 S2","O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)NC)cc3;CN[S](=O)(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=N)NC3=O;[H]N=C1NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)S1","InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-","","2007-04-27","2011-06-04","4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzenesulfonamide",""],["V4O","CYCLO-TETRAMETAVANADATE","O12 V4","[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1;[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]","InChI=1S/12O.4V/q;;;;;;;;4*-1;;;;","","2000-07-20","2025-11-10","2,4,6,8-tetrakis(oxidanidyl)-1,3,5,7-tetraoxa-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetravanadacyclooctane 2,4,6,8-tetraoxide",""],["C76","2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide","C8 H12 F3 N O6","OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)NC(=O)C(F)(F)F)O)O)O","InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1","N-trifluoroacetyl-D-glucosamine","2019-04-12","2020-06-17","2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide","2020-05-13"],["V4Q","N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide","C28 H24 F N7 O2","CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F;CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6","InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-","146282356","2021-04-12","2022-01-07","~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide","2022-01-12"],["C77","5'-deoxy-2',3'-O-(1-methylethylidene)-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine","C25 H34 N10 O4 S","O=C1NC2C(SCC2N1)CCCCCc3nnn(c3)CC7OC(n4c5ncnc(N)c5nc4)C6OC(OC67)(C)C;CC1(C)O[CH]2[CH](Cn3cc(CCCCC[CH]4SC[CH]5NC(=O)N[CH]45)nn3)O[CH]([CH]2O1)n6cnc7c(N)ncnc67;CC1(OC2C(OC(C2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCCC6C7C(CS6)NC(=O)N7)C","InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15+,16-,17-,19+,20+,23+/m0/s1","","2012-01-19","2012-04-13","5'-deoxy-2',3'-O-(1-methylethylidene)-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine",""],["C78","[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER","C31 H42 N5 O9 P","O=C(NC1C(C(=O)N)CCCC1)C4(NC(=O)C(NC(=O)OCc2cccc(N)c2)Cc3ccc(OP(=O)(O)O)cc3)CCCCC4;NC(=O)[CH]1CCCC[CH]1NC(=O)C2(CCCCC2)NC(=O)[CH](Cc3ccc(O[P](O)(O)=O)cc3)NC(=O)OCc4cccc(N)c4;c1cc(cc(c1)N)COC(=O)NC(Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)NC4CCCCC4C(=O)N","InChI=1S/C31H42N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h6-8,11-14,17,24-26H,1-5,9-10,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26-/m0/s1","","1999-07-08","2011-06-04","Nalpha-{[(3-aminobenzyl)oxy]carbonyl}-N-(1-{[(1R,2S)-2-carbamoylcyclohexyl]carbamoyl}cyclohexyl)-O-phosphono-L-tyrosinamide",""],["V4R","3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid","C15 H20 O2","O=C(O)c1cc2c(CCCCC2(C)C)cc1C;Cc1cc2CCCCC(C)(C)c2cc1C(O)=O;Cc1cc2c(cc1C(=O)O)C(CCCC2)(C)C","InChI=1S/C15H20O2/c1-10-8-11-6-4-5-7-15(2,3)13(11)9-12(10)14(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)","","2023-05-09","2023-06-09","3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid","2023-06-14"],["V4T","1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2","C24 H21 Cl F2 N4 O3","C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C;CC1CN2c3c4c(c(c(c(c4OCCC2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3","InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1","146250992","2021-04-12","2024-09-27","","2022-04-20"],["C79","(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide","C23 H23 F3 N6 O S","FC(F)(F)c1ccc(cc1)C(Sc1nc(c(C#N)c(CC)c1C#N)N1CCC(N)CC1)C(N)=O;CCc1c(C#N)c(S[CH](C(N)=O)c2ccc(cc2)C(F)(F)F)nc(N3CCC(N)CC3)c1C#N;CCc1c(c(nc(c1C#N)SC(c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N","InChI=1S/C23H23F3N6OS/c1-2-16-17(11-27)21(32-9-7-15(29)8-10-32)31-22(18(16)12-28)34-19(20(30)33)13-3-5-14(6-4-13)23(24,25)26/h3-6,15,19H,2,7-10,29H2,1H3,(H2,30,33)/t19-/m1/s1","","2021-10-04","2022-03-25","(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide","2022-03-30"],["V4V","7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","C23 H22 N4 O","c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4;Nc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1;c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N","InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)","","2020-06-26","2021-06-25","7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","2021-06-30"],["C7A","N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide","C25 H32 Cl N3 O2","CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC1CCCCC1;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)CCl;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl","InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m1/s1","","2021-04-29","2024-09-27","N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide","2021-12-22"],["C7B","2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide","C22 H24 Cl2 N2 O4","Clc1ccc(OCC(=O)N[CH]2CC[CH](CC2)NC(=O)COc3ccc(Cl)cc3)cc1;c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl","InChI=1S/C22H24Cl2N2O4/c23-15-1-9-19(10-2-15)29-13-21(27)25-17-5-7-18(8-6-17)26-22(28)14-30-20-11-3-16(24)4-12-20/h1-4,9-12,17-18H,5-8,13-14H2,(H,25,27)(H,26,28)/t17-,18-","ISRIB","2017-11-16","2020-01-26","2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide","2018-03-28"],["V4W","4-deoxy-L-erythro-hex-5-ulosuronic acid","C6 H8 O6","O[CH](CC(=O)C(O)=O)[CH](O)C=O;C(C(C(C=O)O)O)C(=O)C(=O)O","InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1","(4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid; (4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoic acid; 4-deoxy-L-erythro-5-hexoseulose uronic acid; 440352","2021-04-13","2021-07-23","(4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid","2021-07-28"],["V4X","3-oxo-3-(thiomorpholin-4-yl)propanenitrile","C7 H10 N2 O S","O=C(CC#N)N1CCSCC1;O=C(CC#N)N1CCSCC1;C1CSCCN1C(=O)CC#N","InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2","","2022-08-29","2022-10-28","3-oxo-3-(thiomorpholin-4-yl)propanenitrile","2022-11-02"],["C7C","5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate","C9 H4 Cl N2 O2 S2","O=C([O-])c2nnsc2Sc1ccc(Cl)cc1;[O-]C(=O)c1nnsc1Sc2ccc(Cl)cc2;c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl","InChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)/p-1","","2008-10-10","2011-06-04","5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate",""],["V4Y","7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","C25 H27 N5 O","c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N;Nc1cccc(CCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1;c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N","InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30)","","2020-06-26","2021-06-25","7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","2021-06-30"],["C7G","[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","C25 H36 N10 O23 P4","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)OC5C(C(OC5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N","InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1","DIADPR","2017-09-15","2021-03-01","[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","2019-01-09"],["V4Z","5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine","C17 H19 Cl F N7 O","Fc1ccc(nc1)C(Nc2ncc(Cl)c(n2)Nc3cc(OC(C)C)nn3)C;CC(C)Oc1cc([nH]n1)Nc2nc(N[CH](C)c3ccc(F)cn3)ncc2Cl;CC(C)Oc1cc([nH]n1)Nc2c(cnc(n2)NC(C)c3ccc(cn3)F)Cl","InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1","","2012-03-28","2014-09-05","5-chloro-N~2~-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N~4~-[3-(propan-2-yloxy)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine",""],["C7H","4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine","C21 H21 N","CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24;CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1","InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3","Cyproheptadine","2015-08-25","2021-03-01","4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine","2016-04-27"],["V50","4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide","C12 H9 F4 N3 O2 S2","O=S(=O)(N)c2c(F)c(F)c(Sc1nc(cc(n1)C)C)c(F)c2F;Cc1cc(C)nc(Sc2c(F)c(F)c(c(F)c2F)[S](N)(=O)=O)n1;Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C","InChI=1S/C12H9F4N3O2S2/c1-4-3-5(2)19-12(18-4)22-10-6(13)8(15)11(23(17,20)21)9(16)7(10)14/h3H,1-2H3,(H2,17,20,21)","","2012-11-06","2013-04-05","4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2,3,5,6-tetrafluorobenzenesulfonamide","2013-04-10"],["C7I","(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide","C11 H14 Cl N O3","Clc1ccc(cc1)C(CCO)CC(=O)NO;OCC[CH](CC(=O)NO)c1ccc(Cl)cc1;c1cc(ccc1C(CCO)CC(=O)NO)Cl","InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m1/s1","","2021-06-07","2022-07-01","(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide","2022-07-06"],["V51","4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","C16 H18 F4 N2 O2 S","N[S](=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F;C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F","InChI=1S/C16H18F4N2O2S/c17-10-12(19)15(25(21,23)24)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-9,22H,1-6H2,(H2,21,23,24)/t7-,8+,9-,16-","","2016-07-27","2017-08-11","4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide","2017-08-16"],["C7J","(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C27 H36 Cl N3 O7 S","O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2C3C(Cl)COC3OC2)Cc4ccccc4;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OC[CH](Cl)[CH]23)[S](=O)(=O)c4ccc(N)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C27H36ClN3O7S/c1-17(2)13-31(39(34,35)20-10-8-19(29)9-11-20)14-23(32)22(12-18-6-4-3-5-7-18)30-27(33)38-24-16-37-26-25(24)21(28)15-36-26/h3-11,17,21-26,32H,12-16,29H2,1-2H3,(H,30,33)/t21-,22-,23+,24-,25-,26+/m0/s1","","2015-02-05","2015-02-13","(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2015-02-18"],["V52","1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one","C24 H23 Cl N6 O2","CCC(=O)N1CCN2[CH](COc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1;CCC(=O)N1CCN2c3c4c(cc(c(c4OCC2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3","InChI=1S/C24H23ClN6O2/c1-3-19(32)30-6-7-31-14(10-30)11-33-23-21-18(26-12-27-24(21)31)8-15(22(23)25)20-13(2)4-5-17-16(20)9-28-29-17/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,28,29)/t14-/m0/s1","","2021-04-14","2024-09-27","","2022-04-20"],["C7K","12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid","C18 H26 N4 O5","OC(=O)CCCCCCCCCCCNc1ccc(c2nonc12)[N](=O)=O;c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O","InChI=1S/C18H26N4O5/c23-16(24)10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15(22(25)26)18-17(14)20-27-21-18/h11-12,19H,1-10,13H2,(H,23,24)","","2017-11-16","2017-12-08","12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid","2017-12-13"],["V53","8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid","C11 H11 N2 O6 P","Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O;c1cc2c(cc(nc2c(c1)N)C(=O)O)OCP(=O)(O)O","InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18)","","2023-02-21","2024-09-27","8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid","2023-07-19"],["C7L","(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C30 H43 N3 O9 S","O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2C3C(OCCOC)COC3OC2)Cc4ccccc4;COCCO[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(N)cc4)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C30H43N3O9S/c1-20(2)16-33(43(36,37)23-11-9-22(31)10-12-23)17-25(34)24(15-21-7-5-4-6-8-21)32-30(35)42-27-19-41-29-28(27)26(18-40-29)39-14-13-38-3/h4-12,20,24-29,34H,13-19,31H2,1-3H3,(H,32,35)/t24-,25+,26-,27-,28-,29+/m0/s1","","2015-02-05","2015-05-01","(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2015-05-06"],["V54","7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","C23 H23 N5 O","c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N;Nc1cccc(CNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1;c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N","InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)","","2020-06-26","2021-06-25","7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","2021-06-30"],["C7M","(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA\nN-2-AMINIUM","C25 H30 Cl N6 O4 S","O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4;COc1ccc(cc1)[S](=O)(=O)NC[CH](O)[CH](Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4NNN=C4;COc1ccc(cc1)S(=O)(=O)NCC(C(Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O","InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1","INHIBITOR OF THROMBIN","2005-12-08","2020-06-17","(2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium",""],["V55","4-hydroxy-3-methoxybenzaldehyde","C8 H8 O3","O=Cc1cc(OC)c(O)cc1;COc1cc(C=O)ccc1O;COc1cc(ccc1O)C=O","InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3","p-vanillin","2008-04-29","2025-02-21","4-hydroxy-3-methoxybenzaldehyde",""],["C7N","2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol","C21 H21 N O","CN1CCC(CC1)=C2c3ccccc3C=Cc4cc(O)ccc24;CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1","InChI=1S/C21H21NO/c1-22-12-10-16(11-13-22)21-19-5-3-2-4-15(19)6-7-17-14-18(23)8-9-20(17)21/h2-9,14,23H,10-13H2,1H3","","2017-11-06","2018-06-15","2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol","2018-06-20"],["V56","(4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione","C24 H36 Cl N3 O5","O=C1OC(CCCCCNC(CCC(NC(C(N1)CC(C)C)=O)CO)=O)c2cc(ccc2)Cl;CC(C)C[CH]1NC(=O)O[CH](CCCCCNC(=O)CC[CH](CO)NC1=O)c2cccc(Cl)c2;CC(C)CC1C(=O)NC(CCC(=O)NCCCCCC(OC(=O)N1)c2cccc(c2)Cl)CO","InChI=1S/C24H36ClN3O5/c1-16(2)13-20-23(31)27-19(15-29)10-11-22(30)26-12-5-3-4-9-21(33-24(32)28-20)17-7-6-8-18(25)14-17/h6-8,14,16,19-21,29H,3-5,9-13,15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1","","2016-09-30","2024-09-27","(4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione","2017-01-11"],["C7O","N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","C21 H23 F2 N5 O4 S2","C[C]1(N=C(N)SCC12CC[S](=O)(=O)CC2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F;CC1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF","InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1","","2019-04-12","2019-08-23","~{N}-[3-[(5~{R})-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","2019-08-28"],["V57","7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","C24 H24 N4 O","c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N;Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1;c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N","InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)","","2020-06-26","2021-06-25","7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","2021-06-30"],["C7P","cis-diammine(pyridine)chloroplatinum(II)","C5 H11 Cl N3 Pt","N.N.Cl[Pt++].c1ccncc1;C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl","InChI=1S/C5H5N.ClH.2H3N.Pt/c1-2-4-6-5-3-1;;;;/h1-5H;1H;2*1H3;/q;;;;+3/p-1","","2008-04-03","2023-09-23","chloranyl-bis($l^{4}-azanyl)-pyridin-1-yl-platinum(2+)",""],["V58","phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1H-indol-3-yl)pyrimidine-5-carboxylate","C33 H34 N6 O3","COc1cc(ccc1Nc2ncc(C(=O)Oc3ccccc3)c(n2)c4c[nH]c5ccccc45)N6CCC(CC6)N(C)C;CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)C(=O)Oc6ccccc6","InChI=1S/C33H34N6O3/c1-38(2)22-15-17-39(18-16-22)23-13-14-29(30(19-23)41-3)36-33-35-21-27(32(40)42-24-9-5-4-6-10-24)31(37-33)26-20-34-28-12-8-7-11-25(26)28/h4-14,19-22,34H,15-18H2,1-3H3,(H,35,36,37)","","2021-04-14","2023-04-28","phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1~{H}-indol-3-yl)pyrimidine-5-carboxylate","2023-05-03"],["C7Q","(3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide","C25 H26 Cl N3 O3","Clc1cc2C[CH](NC(=O)c3ccccc3CCC=CCOc1cc2)C(=O)NC4(CC4)C=N;c1ccc2c(c1)CCC=CCOc3ccc(cc3Cl)CC(NC2=O)C(=O)NC4(CC4)C=N","InChI=1S/C25H26ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,16,21,27H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1+,27-16-/t21-/m0/s1","","2017-11-17","2024-09-27","(3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide","2018-04-11"],["V59","2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","C24 H23 N7 O2 S","O=C(Cc1cccc(Oc2ccccc2)c1)Nc3sc(N[CH]4CCN(C4)c5cccnn5)nn3;c1ccc(cc1)Oc2cccc(c2)CC(=O)Nc3nnc(s3)NC4CCN(C4)c5cccnn5","InChI=1S/C24H23N7O2S/c32-22(15-17-6-4-9-20(14-17)33-19-7-2-1-3-8-19)27-24-30-29-23(34-24)26-18-11-13-31(16-18)21-10-5-12-25-28-21/h1-10,12,14,18H,11,13,15-16H2,(H,26,29)(H,27,30,32)/t18-/m1/s1","","2023-07-05","2023-10-06","2-(3-phenoxyphenyl)-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","2023-10-11"],["C7R","2'-deoxy-5'-O-thiophosphonocytidine","C9 H14 N3 O6 P S","P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)S)O","InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1","2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1)","2016-04-28","2021-03-01","2'-deoxy-5'-O-thiophosphonocytidine","2016-06-22"],["V5A","adenosine-5'-vanadate","C10 H13 N5 O6 V","O=[V](O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[V](O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[V](=O)O)O)O)N","InChI=1S/C10H12N5O4.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);1H2;;/q-1;;;+2/p-1/t4-,6-,7-,10-;;;/m1.../s1","","2013-11-07","2013-12-13","(adenosinato-kappaO~5'~)(hydroxy)oxovanadium","2013-12-18"],["C7S","2'-deoxy-5'-O-thiophosphonocytidine","C9 H14 N3 O6 P S","P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)S)O","InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1","2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2)","2016-04-28","2021-03-01","2'-deoxy-5'-O-thiophosphonocytidine","2016-06-22"],["C7T","(3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide","C27 H27 Cl N4 O4","Clc1cc2C[CH](NC(=O)c3cc(ccc3OCC=CCOc1cc2)C4CNC4)C(=O)NC5(CC5)C#N;c1cc2c(cc1CC(NC(=O)c3cc(ccc3OCC=CCO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl","InChI=1S/C27H27ClN4O4/c28-21-11-17-3-5-24(21)36-10-2-1-9-35-23-6-4-18(19-14-30-15-19)13-20(23)25(33)31-22(12-17)26(34)32-27(16-29)7-8-27/h1-6,11,13,19,22,30H,7-10,12,14-15H2,(H,31,33)(H,32,34)/b2-1+/t22-/m0/s1","","2017-11-17","2018-04-06","(3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide","2018-04-11"],["V5B","methyl sulfate","C H4 O4 S","CO[S](O)(=O)=O;COS(=O)(=O)O","InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)","","2021-04-15","2021-09-03","methyl hydrogen sulfate","2021-09-08"],["V5C","(2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide","C11 H13 N3 O S","Cc1nc(/C=C/C(=O)N(C)CCC#N)cs1;CN(CCC#N)C(=O)C=Cc1csc(C)n1;Cc1nc(cs1)C=CC(=O)N(C)CCC#N","InChI=1S/C11H13N3OS/c1-9-13-10(8-16-9)4-5-11(15)14(2)7-3-6-12/h4-5,8H,3,7H2,1-2H3/b5-4+","","2022-08-29","2022-10-28","(2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide","2022-11-02"],["C7U","(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C29 H37 Cl N4 O8 S","O=S(=O)(c2cc1oc(nc1cc2)NC)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(Cl)COC4OC3)Cc5ccccc5;CNc1oc2cc(ccc2n1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OC[CH](Cl)[CH]45;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC","InChI=1S/C29H37ClN4O8S/c1-17(2)13-34(43(37,38)19-9-10-21-24(12-19)41-28(31-3)32-21)14-23(35)22(11-18-7-5-4-6-8-18)33-29(36)42-25-16-40-27-26(25)20(30)15-39-27/h4-10,12,17,20,22-23,25-27,35H,11,13-16H2,1-3H3,(H,31,32)(H,33,36)/t20-,22-,23+,25-,26-,27+/m0/s1","","2015-02-05","2015-05-01","(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2015-05-06"],["V5D","7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","C26 H29 N5 O","c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N;Nc1cccc(CCCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1;c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N","InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31)","","2020-06-26","2021-06-25","7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine","2021-06-30"],["C7V","4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide","C20 H15 F3 N4 O2","c1cc(C(F)(F)F)ccc1Cn3nc(NC(=O)c2oncc2C)c4ccccc34;Cc1cnoc1C(=O)Nc2nn(Cc3ccc(cc3)C(F)(F)F)c4ccccc24;Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F","InChI=1S/C20H15F3N4O2/c1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23/h2-10H,11H2,1H3,(H,25,26,28)","","2017-09-18","2018-04-13","4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide","2018-04-18"],["V5E","5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine","C20 H24 Br N7 O","Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc4[nH]cnc4;c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4","InChI=1S/C20H24BrN7O/c21-18-12-24-20(27-19(18)23-5-4-17-11-22-14-25-17)26-16-3-1-2-15(10-16)13-28-6-8-29-9-7-28/h1-3,10-12,14H,4-9,13H2,(H,22,25)(H2,23,24,26,27)","5-bromanyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine; 57593528","2021-04-15","2021-04-23","5-bromanyl-~{N}4-[2-(1~{H}-imidazol-5-yl)ethyl]-~{N}2-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine","2021-04-28"],["C7W","(3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","C32 H41 F3 N4 O9 S","O=S(=O)(c2cc1oc(nc1cc2)NC)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCCC(F)(F)F)COC4OC3)Cc5ccccc5;CNc1oc2cc(ccc2n1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OC[CH](OCCC(F)(F)F)[CH]45;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC","InChI=1S/C32H41F3N4O9S/c1-19(2)15-39(49(42,43)21-9-10-22-25(14-21)47-30(36-3)37-22)16-24(40)23(13-20-7-5-4-6-8-20)38-31(41)48-27-18-46-29-28(27)26(17-45-29)44-12-11-32(33,34)35/h4-10,14,19,23-24,26-29,40H,11-13,15-18H2,1-3H3,(H,36,37)(H,38,41)/t23-,24+,26-,27-,28-,29+/m0/s1","","2015-02-05","2015-05-01","(3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate","2015-05-06"],["V5F","(2R)-2-(2-azanylphenoxy)propanoic acid","C9 H11 N O3","C[CH](Oc1ccccc1N)C(O)=O;CC(C(=O)O)Oc1ccccc1N","InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1","","2023-02-21","2024-09-27","(2~{R})-2-(2-azanylphenoxy)propanoic acid","2023-07-19"],["C7X","N-[3-[(4S,5S)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","C23 H21 F2 N5 O2 S","C[C]1(N=C(N)SC[CH]1c2ccccc2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F;CC1(C(CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF","InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23+/m0/s1","","2019-04-12","2019-08-23","~{N}-[3-[(4~{S},5~{S})-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","2019-08-28"],["V5G","7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine","C23 H22 N4 O","c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N;Nc1cccc(CCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1;c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N","InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)","","2020-06-26","2021-06-25","7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine","2021-06-30"],["C7Y","N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine","C19 H20 N8","c1(nc2c(cc1)ncc2)C(C)Nc3nccc(n3)Nc5cc(C4CC4)nn5;C[CH](Nc1nccc(Nc2cc([nH]n2)C3CC3)n1)c4ccc5[nH]ccc5n4;CC(c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5","InChI=1S/C19H20N8/c1-11(13-4-5-14-15(23-13)6-8-20-14)22-19-21-9-7-17(25-19)24-18-10-16(26-27-18)12-2-3-12/h4-12,20H,2-3H2,1H3,(H3,21,22,24,25,26,27)/t11-/m0/s1","","2017-09-18","2017-10-20","N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine","2017-10-25"],["V5H","(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate","C45 H85 Br4 O19 P3","OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O;CCCCCCCC[CH](Br)[CH](Br)CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC;CCCCCCCCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br","InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1","","2023-09-08","2024-09-18","(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate","2024-05-08"],["C7Z","(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol","C40 H56 O2","CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1","","2017-11-17","2018-02-16","(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol","2018-02-21"],["V5I","2-methyl-1-(2-methylphenyl)propan-2-amine","C11 H17 N","NC(C)(C)Cc1ccccc1C;Cc1ccccc1CC(C)(C)N;Cc1ccccc1CC(C)(C)N","InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3","","2022-08-29","2022-10-28","2-methyl-1-(2-methylphenyl)propan-2-amine","2022-11-02"],["C80","(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE","C30 H41 N3 O4","O=C(NCCCC)C(C)CC(O)C(N)CC(C)COC(=O)c2c1ccccc1n(c2)Cc3ccccc3;CCCCNC(=O)[CH](C)C[CH](O)[CH](N)C[CH](C)COC(=O)c1cn(Cc2ccccc2)c3ccccc13;CCCCNC(=O)C(C)CC(C(CC(C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O","InChI=1S/C30H41N3O4/c1-4-5-15-32-29(35)22(3)17-28(34)26(31)16-21(2)20-37-30(36)25-19-33(18-23-11-7-6-8-12-23)27-14-10-9-13-24(25)27/h6-14,19,21-22,26,28,34H,4-5,15-18,20,31H2,1-3H3,(H,32,35)/t21-,22+,26-,28+/m0/s1","","2007-05-21","2011-06-04","(2S,4S,5R,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1H-indole-3-carboxylate",""],["V5J","3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide","C26 H22 F N5 O2","c2(F)c(NC(c1cccc(c1)C(C)(C)C#N)=O)cc(c(C)c2)c3cnc4c(c3)C=NN(C4=O)C;CN1N=Cc2cc(cnc2C1=O)c3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)c(F)cc3C;Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F","InChI=1S/C26H22FN5O2/c1-15-8-21(27)22(31-24(33)16-6-5-7-19(10-16)26(2,3)14-28)11-20(15)17-9-18-13-30-32(4)25(34)23(18)29-12-17/h5-13H,1-4H3,(H,31,33)","","2020-06-29","2021-05-21","3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide","2021-05-26"],["C81","(4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one","C23 H22 F4 N6 O2","c2(nccc(N1C(OCC1C(F)C)=O)n2)NC(c4ncc(c3ccnc(c3)C(F)(F)F)c(C)c4)C;C[CH](F)[CH]1COC(=O)N1c2ccnc(N[CH](C)c3cc(C)c(cn3)c4ccnc(c4)C(F)(F)F)n2;Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)C(C)Nc3nccc(n3)N4C(COC4=O)C(C)F","InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1","","2017-09-18","2017-11-03","(4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one","2017-11-08"],["V5K","propan-2-yl 1~{H}-pyrazole-3-carboxylate","C7 H10 N2 O2","CC(C)OC(=O)c1cc[nH]n1;CC(C)OC(=O)c1cc[nH]n1","InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9)","","2023-02-22","2024-01-05","propan-2-yl 1~{H}-pyrazole-3-carboxylate","2024-01-10"],["C82","~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine","C8 H7 Cl N4","Clc1ccc(Nc2[nH]nnc2)cc1;c1cc(ccc1Nc2cnn[nH]2)Cl","InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)","","2017-11-17","2017-12-22","~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine","2017-12-27"],["V5L","1-(4-methoxyphenyl)-1,2,3,4-tetrazole","C8 H8 N4 O","COc1ccc(cc1)n2cnnn2;COc1ccc(cc1)n2cnnn2","InChI=1S/C8H8N4O/c1-13-8-4-2-7(3-5-8)12-6-9-10-11-12/h2-6H,1H3","","2023-07-07","2023-11-24","1-(4-methoxyphenyl)-1,2,3,4-tetrazole","2023-11-29"],["C83","N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","C18 H18 F3 N5 O2 S","C[CH]1SC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N;CC1C(C(N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F","InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1","","2019-04-12","2019-10-25","~{N}-[3-[(4~{R},5~{R},6~{R})-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","2019-10-30"],["V5M","(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid","C19 H18 O6","c1(c(cc(cc1)C=Cc2cc(cc(c2O)OC)C=CC(=O)O)OC)O;COc1cc(ccc1O)C=Cc2cc(C=CC(O)=O)cc(OC)c2O;COc1cc(ccc1O)C=Cc2cc(cc(c2O)OC)C=CC(=O)O","InChI=1S/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+","","2020-06-30","2021-05-07","(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid","2021-05-12"],["C84","[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid","C21 H34 N6 O16 P2","CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23;CC(C)C(C(C(=O)NP(=O)(O)OC1CC(C(O1)n2cnc3c2ncnc3NP(=O)(O)OC4C(C(C(OC4O)CO)O)O)O)O)O","InChI=1S/C21H34N6O16P2/c1-7(2)12(30)15(33)19(34)26-45(38,39)42-10-3-8(29)20(41-10)27-6-24-11-17(22-5-23-18(11)27)25-44(36,37)43-16-14(32)13(31)9(4-28)40-21(16)35/h5-10,12-16,20-21,28-33,35H,3-4H2,1-2H3,(H2,26,34,38,39)(H2,22,23,25,36,37)/t8-,9+,10+,12-,13+,14-,15+,16+,20+,21+/m0/s1","Agrocin 84 (beta-D-glucopyranose form)","2014-04-02","2023-02-15","[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-~{N}-[9-[(2~{R},3~{S},5~{R})-5-[[[(2~{R},3~{S})-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid","2015-08-19"],["V5N","(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid","C6 H9 N3 O3","N[CH]([CH](O)c1[nH]cnc1)C(O)=O;c1c([nH]cn1)C(C(C(=O)O)N)O","InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1","","2021-04-19","2024-09-27","(2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid","2021-06-02"],["C85","4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE","C14 H11 N3 O4 S2","O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3;N[S](=O)(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=N)NC3=O;[H]N=C1NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1","InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-","","2007-04-27","2011-06-04","4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide",""],["V5O","(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid","C13 H13 N O3","O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O;OC(=O)C=Cc1ccc(cc1)N2CCCC2=O;c1cc(ccc1C=CC(=O)O)N2CCCC2=O","InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+","","2022-08-29","2022-10-28","(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid","2022-11-02"],["C86","N-[3-[(4S,6S)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","C18 H16 F5 N5 O2 S","C[C]1(C[CH](SC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F;CC1(CC(SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF","InChI=1S/C18H16F5N5O2S/c1-17(5-13(18(21,22)23)31-16(24)28-17)10-4-9(2-3-11(10)20)27-15(29)12-6-26-14(7-25-12)30-8-19/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1","","2019-04-12","2020-01-10","~{N}-[3-[(4~{S},6~{S})-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide","2020-01-15"],["V5P","lignostilbene","C16 H16 O4","c1(ccc(O)c(c1)OC)C=Cc2cc(c(cc2)O)OC;COc1cc(ccc1O)C=Cc2ccc(O)c(OC)c2;COc1cc(ccc1O)C=Cc2ccc(c(c2)OC)O","InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+","4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol)","2020-06-30","2021-05-07","4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol)","2021-05-12"],["C87","Momelotinib","C23 H22 N6 O2","O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2;c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N","InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)","","2009-05-18","2018-07-27","~{N}-(cyanomethyl)-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide","2018-08-01"],["V5Q","~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide","C38 H38 N6 O7","COc1cc2CCN(CCc3ccc(cc3)n4nnc(n4)c5cc(OC)c(OC)cc5NC(=O)[CH]6CC(=O)c7ccccc7O6)Cc2cc1OC;COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC","InChI=1S/C38H38N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-20,36H,13-16,21-22H2,1-4H3,(H,39,46)/t36-/m1/s1","","2021-04-19","2022-01-07","~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide","2022-01-12"],["C88","3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C19 H24 N6 O","n1c(c2c(nc1)n(nc2c3ccc(OC)c(c3)C)CC4CCNCC4)N;COc1ccc(cc1C)c2nn(CC3CCNCC3)c4ncnc(N)c24;Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N","InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)","","2011-12-23","2012-03-09","3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["V5R","5-acetamido-2-chloranyl-benzoic acid","C9 H8 Cl N O3","CC(=O)Nc1ccc(Cl)c(c1)C(O)=O;CC(=O)Nc1ccc(c(c1)C(=O)O)Cl","InChI=1S/C9H8ClNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)","","2023-02-22","2024-01-05","5-acetamido-2-chloranyl-benzoic acid","2024-01-10"],["C89","1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one","C28 H27 N5 O2","CN1CCN(CC1)C(=O)c2cccc(CN3c4cccc5C(=O)N(C)C(=Cc6cccnc36)c45)c2;CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C","InChI=1S/C28H27N5O2/c1-30-12-14-32(15-13-30)27(34)21-7-3-6-19(16-21)18-33-23-10-4-9-22-25(23)24(31(2)28(22)35)17-20-8-5-11-29-26(20)33/h3-11,16-17H,12-15,18H2,1-2H3","","2019-04-12","2020-02-21","","2020-02-26"],["C8A","{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)","C14 H17 N O6 P2","c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2;O[P](O)(=O)C(Nc1ccc(Cc2ccccc2)cc1)[P](O)(O)=O;c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)","","2017-09-18","2019-01-11","{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)","2019-01-16"],["V5S","2-[(4-bromophenyl)amino]ethan-1-ol","C8 H10 Br N O","N(CCO)c1ccc(Br)cc1;OCCNc1ccc(Br)cc1;c1cc(ccc1NCCO)Br","InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2","","2020-06-30","2021-02-12","2-[(4-bromophenyl)amino]ethan-1-ol","2021-02-17"],["V5T","4-(1~{H}-indol-3-yl)pyrimidin-2-amine","C12 H10 N4","Nc1nccc(n1)c2c[nH]c3ccccc23;c1ccc2c(c1)c(c[nH]2)c3ccnc(n3)N","InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)","","2021-04-19","2022-04-29","4-(1~{H}-indol-3-yl)pyrimidin-2-amine","2022-05-04"],["C8B","(3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione","C22 H22 N4 O5","CN1[CH](Cc2c[nH]c3cccc(c23)[N+]([O-])=O)C(=O)N(C)[C](O)(Cc4ccccc4)C1=O;CN1C(C(=O)N(C(C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-]","InChI=1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1","","2017-11-18","2018-12-07","(3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione","2018-12-12"],["V5U","(6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide","C22 H23 F3 N8 O3","FC(F)(F)Oc1cccnc1c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)C(C1)OC;CO[CH]1CN(CC[CH]1N)c2ccncc2NC(=O)c3nc(cnc3N)c4ncccc4OC(F)(F)F;COC1CN(CCC1N)c2ccncc2NC(=O)c3c(ncc(n3)c4c(cccn4)OC(F)(F)F)N","InChI=1S/C22H23F3N8O3/c1-35-17-11-33(8-5-12(17)26)15-4-7-28-9-13(15)32-21(34)19-20(27)30-10-14(31-19)18-16(3-2-6-29-18)36-22(23,24)25/h2-4,6-7,9-10,12,17H,5,8,11,26H2,1H3,(H2,27,30)(H,32,34)/t12-,17+/m0/s1","","2023-09-08","2024-01-19","(6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide","2024-01-24"],["C8C","2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one","C14 H14 N4 O","O=C1C=C(N=C(N)N1)CCc2ccc3c(c2)ncc3;NC1=NC(=CC(=O)N1)CCc2ccc3cc[nH]c3c2;c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N","InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)","","2007-08-30","2011-06-04","2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one",""],["V5V","(1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)","C24 H26 F2 N10 O8 P2 S2","n1cn5c2ncnc(c12)NCC=CCNc8c3c(n(cn3)C7C(C6OP(S)(OCC4C(C(F)C5O4)OP(S)(=O)OCC6O7)=O)F)ncn8;F[CH]1[CH]2O[P](S)(=O)OC[CH]3O[CH]4[CH](F)[CH]3O[P](S)(=O)OC[CH]2O[CH]1n5cnc6c(NCC=CCNc7ncnc8n4cnc78)ncnc56;c1nc2c3c(n1)n(cn3)C4C(C5C(O4)COP(=O)(OC6C(COP(=O)(O5)S)OC(C6F)n7cnc8c7ncnc8NCC=CCN2)S)F","InChI=1S/C24H26F2N10O8P2S2/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32)/b2-1+/t11-,12-,13-,14-,17-,18-,23-,24-,45-,46+/m1/s1","","2020-07-01","2021-02-12","(1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)","2021-02-17"],["C8D","N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE","C29 H40 B N4 O8","O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C;CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH](CCO)B(O)[O-])Oc3nccc4ccccc34;B(C(CCO)NC(=O)C1CC(CN1C(=O)C(C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-]","InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1","","2010-04-23","2024-09-27","N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide",""],["V5W","4-(Cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide","C23 H28 Cl2 N6 O3","Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCC4)n2)c1;c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl","InChI=1S/C23H28Cl2N6O3/c24-16-6-7-19(25)15(12-16)13-27-22-28-14-18(20(30-22)29-17-4-1-2-5-17)21(32)26-8-3-9-31-10-11-34-23(31)33/h6-7,12,14,17H,1-5,8-11,13H2,(H,26,32)(H2,27,28,29,30)","2-[[2,5-bis(chloranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide; 71552942","2021-04-19","2021-05-14","2-[[2,5-bis(chloranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide","2021-05-19"],["C8E","(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE","C16 H34 O5","O(CCCCCCCC)CCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCO;CCCCCCCCOCCOCCOCCOCCO","InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3","","1999-07-08","2011-06-04","3,6,9,12-tetraoxaicosan-1-ol",""],["V5X","(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE","C36 H41 N5 O5","O=C(NCCc3c1ccccc1nc3c2ccccc2)C(NC(=O)Cc5c4cc(OC)ccc4nc5C)CCCCCC(=O)NO;COc1ccc2[nH]c(C)c(CC(=O)N[CH](CCCCCC(=O)NO)C(=O)NCCc3c([nH]c4ccccc34)c5ccccc5)c2c1;Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)NC(CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5","InChI=1S/C36H41N5O5/c1-23-28(29-21-25(46-2)17-18-31(29)38-23)22-34(43)39-32(15-7-4-8-16-33(42)41-45)36(44)37-20-19-27-26-13-9-10-14-30(26)40-35(27)24-11-5-3-6-12-24/h3,5-6,9-14,17-18,21,32,38,40,45H,4,7-8,15-16,19-20,22H2,1-2H3,(H,37,44)(H,39,43)(H,41,42)/t32-/m1/s1","","2007-07-12","2011-06-04","(2R)-N~8~-hydroxy-2-{[(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino}-N~1~-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide",""],["C8F","8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide","C38 H66 F N O9","Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCc2ccc(F)cc2;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O","InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1","(2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL","2009-04-07","2020-06-17","8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide",""],["V5Y","piperidine-4-carboxamide","C6 H12 N2 O","NC(=O)C1CCNCC1;NC(=O)C1CCNCC1;C1CNCCC1C(=O)N","InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)","","2022-08-29","2022-10-28","piperidine-4-carboxamide","2022-11-02"],["C8G","1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one","C18 H24 Cl2 N4 O3","O=C(N1CC(C1)N3CCN(C(CNc2c(cc(c(c2)Cl)Cl)O)=O)CC3)CC;CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(Cl)c(Cl)cc3O;CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl","InChI=1S/C18H24Cl2N4O3/c1-2-17(26)24-10-12(11-24)22-3-5-23(6-4-22)18(27)9-21-15-7-13(19)14(20)8-16(15)25/h7-8,12,21,25H,2-6,9-11H2,1H3","","2017-09-18","2024-09-27","1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one","2018-05-16"],["V5Z","DMHBO+","C22 H25 N4 O5","COc1cc(cc(OC)c1O)C=C2N=C(C=NO)N(C2=O)c3ccc(cc3)[N+](C)(C)C;C[N+](C)(C)c1ccc(cc1)N2C(=NC(=Cc3cc(c(c(c3)OC)O)OC)C2=O)C=NO","InChI=1S/C22H24N4O5/c1-26(2,3)16-8-6-15(7-9-16)25-20(13-23-29)24-17(22(25)28)10-14-11-18(30-4)21(27)19(12-14)31-5/h6-13H,1-5H3,(H-,23,24,27,28,29)/p+1","[4-[(4Z)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(Z)-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium","2021-04-19","2021-06-11","[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(~{Z})-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium","2021-06-16"],["C8H","(3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione","C22 H22 N4 O4","CN1[CH](Cc2ccccc2)C(=O)N(C)[CH](Cc3c[nH]c4cccc(c34)[N+]([O-])=O)C1=O;CN1C(C(=O)N(C(C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4","InChI=1S/C22H22N4O4/c1-24-18(11-14-7-4-3-5-8-14)21(27)25(2)19(22(24)28)12-15-13-23-16-9-6-10-17(20(15)16)26(29)30/h3-10,13,18-19,23H,11-12H2,1-2H3/t18-,19-/m0/s1","","2017-11-18","2018-12-07","(3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione","2018-12-12"],["V60","~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide","C8 H13 N3 O","CC(C)CNC(=O)c1cc[nH]n1;CC(C)CNC(=O)c1cc[nH]n1","InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)","","2023-02-22","2024-01-05","~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide","2024-01-10"],["C8I","(3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide","C11 H14 Cl N O3","Clc1ccc(cc1)C(CCO)CC(=O)NO;OCC[CH](CC(=O)NO)c1ccc(Cl)cc1;c1cc(ccc1C(CCO)CC(=O)NO)Cl","InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m0/s1","","2021-06-07","2022-07-01","(3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide","2022-07-06"],["V61","2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine","C9 H6 F4 I N O2","c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F;N[CH](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O;C(c1c(c(c(c(c1F)F)I)F)F)C(C(=O)O)N","InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1","","2020-07-06","2024-09-27","2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine","2021-07-07"],["C8J","(2~{R})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid","C24 H32 N8 O6","c12ncnc(c1ncn2C3OC(C(C3O)O)CN(CCCC(N)C(O)=O)CCc4cccc(C(N)=O)c4)N;N[CH](CCCN(CCc1cccc(c1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O;c1cc(cc(c1)C(=O)N)CCN(CCCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18-,19-,23-/m1/s1","","2017-09-19","2018-01-26","(2R)-2-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}[2-(3-carbamoylphenyl)ethyl]amino)pentanoic acid (non-preferred name)","2018-01-31"],["V62","2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide","C25 H32 Br2 N6 O3","Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCCC4)n2)cc1Br;Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br","InChI=1S/C25H32Br2N6O3/c1-16-12-21(27)17(13-20(16)26)14-29-24-30-15-19(22(32-24)31-18-6-3-2-4-7-18)23(34)28-8-5-9-33-10-11-36-25(33)35/h12-13,15,18H,2-11,14H2,1H3,(H,28,34)(H2,29,30,31,32)","","2021-04-19","2021-05-14","2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide","2021-05-19"],["C8K","~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide","C14 H10 Br F N2 O3","Fc1cc(Br)cnc1C(=O)NCc2ccc3OCOc3c2;c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2","InChI=1S/C14H10BrFN2O3/c15-9-4-10(16)13(17-6-9)14(19)18-5-8-1-2-11-12(3-8)21-7-20-11/h1-4,6H,5,7H2,(H,18,19)","","2017-11-20","2018-01-12","~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide","2018-01-17"],["V63","[(1R,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE","C14 H17 N O2","O=C(OC1C[CH]2CC[CH](C1)N2)c3ccccc3;c1ccc(cc1)C(=O)OC2CC3CCC(C2)N3","InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+","","2011-01-12","2011-06-10","[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] benzoate",""],["C8L","Cucurbit[8]uril","C48 H48 N32 O16","O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C%10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%16C%17[N](C[N]%18C%19C%20[N](C[N]%21C%22C%23[N](C[N]1C%24C2N%25CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN%24C%25=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O;C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O","InChI=1S/C48H48N32O16/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83/h17-32H,1-16H2/t17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-","","2017-02-05","2017-05-19","","2017-05-24"],["V64","tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate","C29 H48 N6 O7","O=C(OC(C)(C)C)NC1C(=O)NC(C(NC(CCC(NCCCCc2nnc(CC1)o2)=O)CO)=O)CC3CCCCC3;CC(C)(C)OC(=O)N[CH]1CCc2oc(CCCCNC(=O)CC[CH](CO)NC(=O)[CH](CC3CCCCC3)NC1=O)nn2;CC(C)(C)OC(=O)NC1CCc2nnc(o2)CCCCNC(=O)CCC(NC(=O)C(NC1=O)CC3CCCCC3)CO","InChI=1S/C29H48N6O7/c1-29(2,3)42-28(40)33-21-13-15-25-35-34-24(41-25)11-7-8-16-30-23(37)14-12-20(18-36)31-27(39)22(32-26(21)38)17-19-9-5-4-6-10-19/h19-22,36H,4-18H2,1-3H3,(H,30,37)(H,31,39)(H,32,38)(H,33,40)/t20-,21-,22-/m0/s1","","2015-08-31","2024-09-27","tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate","2016-02-10"],["C8M","3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid\ne","C15 H23 N7 O4","O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O;CN(CCC(N)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23;Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CCC(=O)N)O)O)N","InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1","5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine","2008-07-31","2020-06-17","3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name)",""],["V65","4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide","C21 H27 Cl N6 O2","Clc1ccc(cc1)CN(c2nc(nc(n2)C(=O)N)N3CCOCC3)C4CCCCC4;NC(=O)c1nc(nc(n1)N(Cc2ccc(Cl)cc2)C3CCCCC3)N4CCOCC4;c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl","InChI=1S/C21H27ClN6O2/c22-16-8-6-15(7-9-16)14-28(17-4-2-1-3-5-17)21-25-19(18(23)29)24-20(26-21)27-10-12-30-13-11-27/h6-9,17H,1-5,10-14H2,(H2,23,29)","","2012-06-13","2024-09-27","4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide","2013-05-08"],["C8N","[(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","C21 H21 N2 O3 S","C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O;C[NH+](C)C1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4","InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m1/s1","","2017-11-20","2018-04-27","[(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","2018-05-02"],["V66","tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate","C30 H50 N6 O7","O=C(OC(C)(C)C)NC2C(=O)NC(CC1CCCCC1)C(NC(CCC(NCCCCCc3nnc(CC2)o3)=O)CO)=O;CC(C)(C)OC(=O)N[CH]1CCc2oc(CCCCCNC(=O)CC[CH](CO)NC(=O)[CH](CC3CCCCC3)NC1=O)nn2;CC(C)(C)OC(=O)NC1CCc2nnc(o2)CCCCCNC(=O)CCC(NC(=O)C(NC1=O)CC3CCCCC3)CO","InChI=1S/C30H50N6O7/c1-30(2,3)43-29(41)34-22-14-16-26-36-35-25(42-26)12-8-5-9-17-31-24(38)15-13-21(19-37)32-28(40)23(33-27(22)39)18-20-10-6-4-7-11-20/h20-23,37H,4-19H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,34,41)/t21-,22-,23-/m0/s1","","2015-08-31","2024-09-27","tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate","2016-02-10"],["C8O","2-(2-azanylethylamino)-5-nitro-benzoic acid","C9 H11 N3 O4","NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN","InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14)","","2019-04-15","2019-09-27","2-(2-azanylethylamino)-5-nitro-benzoic acid","2019-10-02"],["C8P","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide","C38 H67 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCc2ccccc2;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O","InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1","(2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL","2009-04-07","2020-06-17","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide",""],["V67","4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid","C15 H9 F2 N5 O3","n1(cncc1)c2nnc(cc2)C(Nc3c(cc(c(c3)F)F)C(O)=O)=O;OC(=O)c1cc(F)c(F)cc1NC(=O)c2ccc(nn2)n3ccnc3;c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3","InChI=1S/C15H9F2N5O3/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25)","","2020-07-06","2020-08-21","4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid","2020-08-26"],["V68","1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine","C26 H32 N6 O","n1c(c2c(nc1)n(nc2c4cc3ccc(OCC(C)C)cc3cc4)CC5CCN(C)CC5)N;CC(C)COc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35;CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N","InChI=1S/C26H32N6O/c1-17(2)15-33-22-7-6-19-12-21(5-4-20(19)13-22)24-23-25(27)28-16-29-26(23)32(30-24)14-18-8-10-31(3)11-9-18/h4-7,12-13,16-18H,8-11,14-15H2,1-3H3,(H2,27,28,29)","","2013-03-04","2014-03-18","1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2014-03-19"],["C8Q","(3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","C20 H17 N O4 S","COC1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O;COC1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4","InChI=1S/C20H17NO4S/c1-25-18-14(9-13-7-4-6-12-5-2-3-8-15(12)13)10-17(22)21-16(20(23)24)11-26-19(18)21/h2-8,10,16H,9,11H2,1H3,(H,23,24)/t16-/m0/s1","","2017-11-20","2018-04-27","(3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","2018-05-02"],["V69","(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione","C23 H43 N3 O5","CCCCCC1CCCCCNC(CCC(NC(C(NC(O1)=O)CC(C)C)=O)CO)=O;CCCCC[CH]1CCCCCNC(=O)CC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)O1;CCCCCC1CCCCCNC(=O)CCC(NC(=O)C(NC(=O)O1)CC(C)C)CO","InChI=1S/C23H43N3O5/c1-4-5-7-10-19-11-8-6-9-14-24-21(28)13-12-18(16-27)25-22(29)20(15-17(2)3)26-23(30)31-19/h17-20,27H,4-16H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t18-,19+,20-/m0/s1","","2016-09-30","2024-09-27","(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione","2017-01-11"],["C8R","8-Amino-N1-Cyclic Inosine 5'-Diphosphoribose","C15 H21 N5 O14 P2","O=C2N3C=Nc1n(c(nc12)N)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O;Nc1nc2C(=O)[N]3C=Nc2n1[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]3[CH](O)[CH]5O)[CH](O)[CH]4O;C1C2C(C(C(O2)n3c4c(nc3N)C(=O)N(C=N4)C5C(C(C(O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O","InChI=1S/C15H21N5O14P2/c16-15-18-6-11-17-3-19(12(6)25)13-9(23)7(21)4(32-13)1-30-35(26,27)34-36(28,29)31-2-5-8(22)10(24)14(33-5)20(11)15/h3-5,7-10,13-14,21-24H,1-2H2,(H2,16,18)(H,26,27)(H,28,29)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1","","2011-10-12","2012-10-05","(2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-18-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-trien-24-one 8,10-dioxide (non-preferred name)","2012-10-05"],["V6A","selinexor, bound form","C17 H13 F6 N7 O","c3n(CCC(NNc1cnccn1)=O)nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n3;FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)NNc3cnccn3)n2;c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F","InChI=1S/C17H13F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h2-3,5-9H,1,4H2,(H,25,27)(H,28,31)","3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide","2020-07-06","2024-09-27","3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide","2021-01-27"],["C8S","(2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one","C18 H29 N3 O3","C1C2(CC3(CC1(CC(C2)C3)C(N)C(N4C(CC5C4C5)CN)=O)O)O;NC[CH]1C[CH]2C[CH]2N1C(=O)[CH](N)C34CC5C[C](O)(C[C](O)(C5)C3)C4;C1C2CC2N(C1CN)C(=O)C(C34CC5CC(C3)(CC(C5)(C4)O)O)N","InChI=1S/C18H29N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-9,19-20H2/t10-,11-,12+,13+,14-,16-,17+,18-/m1/s1","","2017-09-19","2024-09-27","(2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one","2017-09-27"],["V6B","2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide","C24 H30 Br2 N6 O3","Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCC4)n2)cc1Br;Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br","InChI=1S/C24H30Br2N6O3/c1-15-11-20(26)16(12-19(15)25)13-28-23-29-14-18(21(31-23)30-17-5-2-3-6-17)22(33)27-7-4-8-32-9-10-35-24(32)34/h11-12,14,17H,2-10,13H2,1H3,(H,27,33)(H2,28,29,30,31)","","2021-04-19","2021-05-14","2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide","2021-05-19"],["C8U","methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate","C16 H15 F3 N2 O4","COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N](=O)=O)C;CC1=C(C(C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC","InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1","","2019-04-16","2019-06-07","methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate","2019-06-12"],["V6C","1-(3-methoxyphenyl)-1,2,3,4-tetrazole","C8 H8 N4 O","COc1cccc(c1)n2cnnn2;COc1cccc(c1)n2cnnn2","InChI=1S/C8H8N4O/c1-13-8-4-2-3-7(5-8)12-6-9-10-11-12/h2-6H,1H3","","2023-07-07","2023-11-24","1-(3-methoxyphenyl)-1,2,3,4-tetrazole","2023-11-29"],["C8V","(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide","C13 H23 N5 O7 S","O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O;O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)[CH]2CCCNC2;C1CC(CNC1)C(=O)NNC(=O)C2CCC(CN2C=O)NOS(=O)(=O)O","InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1","OPEN FORM -  Zidebactam","2017-09-19","2024-09-27","(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide","2018-08-01"],["V6D","(3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione","C30 H43 N3 O4 S","C1(=CC=CC(=O)OC(Cc2scc(CCC(N)CC(=O)OC(C1)C)n2)[C@H]=C(C)C=[C@H]C(C)=[C@H]CN(C)C)C;C[CH]1CC(=CC=CC(=O)O[CH](Cc2scc(CC[CH](N)CC(=O)O1)n2)C=C(C)C=CC(C)=CCN(C)C)C;CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCC(CC(=O)O1)N)C=C(C)C=CC(=CCN(C)C)C)C","InChI=1S/C30H43N3O4S/c1-21(14-15-33(5)6)10-11-23(3)17-27-19-28-32-26(20-38-28)13-12-25(31)18-30(35)36-24(4)16-22(2)8-7-9-29(34)37-27/h7-11,14,17,20,24-25,27H,12-13,15-16,18-19,31H2,1-6H3/b9-7-,11-10+,21-14+,22-8+,23-17+/t24-,25+,27+/m0/s1","des-methyl Pateamine A","2020-07-07","2021-03-01","(3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione","2021-01-06"],["C8W","4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid","C20 H19 N5 O5 S","COc1ccc(cc1OCCCC(O)=O)c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23;COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N","InChI=1S/C20H19N5O5S/c1-29-11-5-4-9(7-12(11)30-6-2-3-13(26)27)14-10(8-21)18(23)25-20-15(14)16(22)17(31-20)19(24)28/h4-5,7H,2-3,6,22H2,1H3,(H2,23,25)(H2,24,28)(H,26,27)","","2017-11-23","2018-05-25","4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid","2018-05-30"],["V6E","4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide","C24 H30 Cl2 N6 O2","Clc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)cc1Cl;c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl","InChI=1S/C24H30Cl2N6O2/c25-19-9-8-16(13-20(19)26)14-28-24-29-15-18(22(31-24)30-17-5-1-2-6-17)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,17H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31)","","2021-04-19","2021-05-14","4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide","2021-05-19"],["C8X","bis(2-hydroxyethyl) benzene-1,4-dicarboxylate","C12 H14 O6","OCCOC(=O)c1ccc(cc1)C(=O)OCCO;c1cc(ccc1C(=O)OCCO)C(=O)OCCO","InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2","bis(2-hydroxyethyl) terephthalate","2019-04-16","2020-06-17","bis(2-hydroxyethyl) benzene-1,4-dicarboxylate","2020-04-15"],["V6F","(4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide","C8 H14 N2 O3","O=C(N1C(C(=O)NC)CC(O)C1)C;CNC(=O)[CH]1C[CH](O)CN1C(C)=O;CC(=O)N1CC(CC1C(=O)NC)O","InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1","","2012-06-04","2014-09-05","(4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide","2012-11-09"],["C8Y","(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile","C7 H11 N3 O5 S","O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1;O[S](=O)(=O)ON[CH]1CC[CH](C#N)N(C1)C=O;C1CC(N(CC1NOS(=O)(=O)O)C=O)C#N","InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1","open form - WCK 4234","2017-09-19","2024-09-27","(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile","2018-08-01"],["V6G","3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one","C48 H48 F2 N10 O5","c23cc(C1CCOC(C)(C)C1)ccc2n(c(c3)C(N9CCc8c(c(N4C(N(C=C4)c5c(c6c(cc5)n(C)nc6)F)=O)n(c7cc(C)c(c(c7)C)F)n8)C9C)=O)C%11(C=%10NC(=O)ON=%10)CC%11C;C[CH]1C[C]1(n2c(cc3cc(ccc23)[CH]4CCOC(C)(C)C4)C(=O)N5CCc6nn(c7cc(C)c(F)c(C)c7)c(N8C=CN(C8=O)c9ccc%10n(C)ncc%10c9F)c6[CH]5C)C%11=NOC(=O)N%11;Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN(C3C)C(=O)c4cc5cc(ccc5n4C6(CC6C)C7=NOC(=O)N7)C8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C","InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1","","2020-07-08","2020-11-13","3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one","2020-11-18"],["C8Z","4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine","C17 H17 N3","C1C[CH](N(C1)c2ccnc3[nH]ccc23)c4ccccc4;c1ccc(cc1)C2CCCN2c3ccnc4c3cc[nH]4","InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)/t15-/m1/s1","","2017-11-23","2018-03-02","4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine","2018-03-07"],["V6H","2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide","C24 H30 F2 N6 O2","Fc1ccc(F)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)c1;c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F","InChI=1S/C24H30F2N6O2/c25-17-8-9-20(26)16(13-17)14-28-24-29-15-19(22(31-24)30-18-5-1-2-6-18)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,18H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31)","","2021-04-19","2021-05-14","2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide","2021-05-19"],["C90","N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide","C24 H27 N3 O5","O=C(NO)C(NC(=O)c3ccc(C#Cc1ccc(cc1)CN2CCOCC2)cc3)C(O)C;C[CH](O)[CH](NC(=O)c1ccc(cc1)C#Cc2ccc(CN3CCOCC3)cc2)C(=O)NO;CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O","InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1","","2007-08-16","2011-06-04","N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",""],["C91","N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide","C24 H18 N4 O","O=C(Nc2cc1ccccc1cc2)Cn4c5ccccc5nc4c3ncccc3;O=C(Cn1c2ccccc2nc1c3ccccn3)Nc4ccc5ccccc5c4;c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5","InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)","","2013-10-03","2014-06-06","N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide","2014-06-11"],["V6I","N-(2-fluorophenyl)methanesulfonamide","C7 H8 F N O2 S","O=S(C)(=O)Nc1ccccc1F;C[S](=O)(=O)Nc1ccccc1F;CS(=O)(=O)Nc1ccccc1F","InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3","","2022-08-29","2022-10-28","N-(2-fluorophenyl)methanesulfonamide","2022-11-02"],["V6K","(~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide","C16 H19 N3 O3","Oc1ccc(cc1)C=C(C#N)C(=O)NCCN2CCOCC2;c1cc(ccc1C=C(C#N)C(=O)NCCN2CCOCC2)O","InChI=1S/C16H19N3O3/c17-12-14(11-13-1-3-15(20)4-2-13)16(21)18-5-6-19-7-9-22-10-8-19/h1-4,11,20H,5-10H2,(H,18,21)/b14-11+","","2021-04-20","2022-07-29","(~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide","2022-08-03"],["C92","N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide","C21 H26 N4 O2","O=C(NCCC1CCCC1)c3cc(C(=O)Nc2cnc(N)cc2)c(cc3)C;Cc1ccc(cc1C(=O)Nc2ccc(N)nc2)C(=O)NCCC3CCCC3;Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3","InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)","","2008-04-01","2011-06-04","N~3~-(6-aminopyridin-3-yl)-N~1~-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide",""],["V6L","~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide","C10 H15 N3 O","Cc1cc([nH]n1)C(=O)NC2CCCC2;Cc1cc([nH]n1)C(=O)NC2CCCC2","InChI=1S/C10H15N3O/c1-7-6-9(13-12-7)10(14)11-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13)","","2023-02-23","2024-01-05","~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide","2024-01-10"],["C93","3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid","C13 H15 N O5","O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O;OC1CCN(CC1)c2cccc(C(O)=O)c2C(O)=O;c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O","InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)","3-(4-hydroxypiperidine-1-yl) phthalic acid","2014-08-19","2021-03-01","3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid","2014-10-15"],["C94","4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE","C15 H10 F3 N3 O4 S2","O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(c(c2)C(F)(F)F)S(=O)(=O)N)cc3;N[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2oc(cc2)C=C3SC(=N)NC3=O;[H]N=C1NC(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)S1","InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-","","2007-04-30","2011-06-04","4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzenesulfonamide",""],["V6M","7-methyl-3-phenyl-1H-indole-2-carboxylic acid","C16 H13 N O2","c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O;Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3;Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O","InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)","","2020-07-09","2021-07-09","7-methyl-3-phenyl-1H-indole-2-carboxylic acid","2021-07-14"],["V6N","(~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide","C17 H19 N5 O2","O=C(NCCN1CCOCC1)C(=Cc2ccc3c[nH]nc3c2)C#N;c1cc2c[nH]nc2cc1C=C(C#N)C(=O)NCCN3CCOCC3","InChI=1S/C17H19N5O2/c18-11-15(9-13-1-2-14-12-20-21-16(14)10-13)17(23)19-3-4-22-5-7-24-8-6-22/h1-2,9-10,12H,3-8H2,(H,19,23)(H,20,21)/b15-9+","","2021-04-20","2022-07-22","(~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide","2022-07-27"],["C95","4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID","C15 H10 N2 O4 S","O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(C(=O)O)cc2)cc3;OC(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=N)NC3=O;[H]N=C1NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)C(=O)O)S1","InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7-","","2007-04-27","2011-06-04","4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid",""],["V6P","3-phenoxyphenol","C12 H10 O2","c1c(cccc1O)Oc2ccccc2;Oc1cccc(Oc2ccccc2)c1;c1ccc(cc1)Oc2cccc(c2)O","InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H","","2020-07-09","2021-07-09","3-phenoxyphenol","2021-07-14"],["C96","4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE","C15 H13 N3 O4 S2","O=C1C(SC(=[N@H])N1)=C(c3oc(c2ccc(cc2)S(=O)(=O)N)cc3)C;CC(c1oc(cc1)c2ccc(cc2)[S](N)(=O)=O)=C3SC(=N)NC3=O;[H]N=C1NC(=O)C(=C(C)c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1","InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-","","2007-04-30","2011-06-04","4-(5-{(1Z)-1-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzenesulfonamide",""],["C97","N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","C15 H19 N3 O4 S","NS(=O)(=O)c1ccc(CCN(Cc2ccco2)C(=O)CN)cc1;NCC(=O)N(CCc1ccc(cc1)[S](N)(=O)=O)Cc2occc2;c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN","InChI=1S/C15H19N3O4S/c16-10-15(19)18(11-13-2-1-9-22-13)8-7-12-3-5-14(6-4-12)23(17,20)21/h1-6,9H,7-8,10-11,16H2,(H2,17,20,21)","","2021-11-19","2022-04-01","N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide","2022-04-06"],["V6Q","(2-methoxyphenyl)methanamine","C8 H11 N O","COc1ccccc1CN;COc1ccccc1CN","InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3","","2021-04-20","2022-07-22","(2-methoxyphenyl)methanamine","2022-07-27"],["V6R","(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide","C12 H17 F N2 O","Fc1ccccc1CN(C)C(=O)C(N)CC;CC[CH](N)C(=O)N(C)Cc1ccccc1F;CCC(C(=O)N(C)Cc1ccccc1F)N","InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1","","2022-08-29","2022-10-28","(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide","2022-11-02"],["C98","3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid","C26 H26 Cl N3 O4","OC(=O)c1cccc(NC(=O)CC(=O)NCCCNCc2ccc(c(Cl)c2)c3ccccc3)c1;c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C26H26ClN3O4/c27-23-14-18(10-11-22(23)19-6-2-1-3-7-19)17-28-12-5-13-29-24(31)16-25(32)30-21-9-4-8-20(15-21)26(33)34/h1-4,6-11,14-15,28H,5,12-13,16-17H2,(H,29,31)(H,30,32)(H,33,34)","","2016-12-14","2017-05-19","3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid","2017-05-24"],["V6S","4-(3-hydroxyphenoxy)benzoic acid","C13 H10 O4","c1c(cc(cc1)Oc2ccc(cc2)C(O)=O)O;OC(=O)c1ccc(Oc2cccc(O)c2)cc1;c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O","InChI=1S/C13H10O4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H,(H,15,16)","","2020-07-09","2021-07-09","4-(3-hydroxyphenoxy)benzoic acid","2021-07-14"],["C99","{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-1-YL}ACETIC ACID","C8 H13 N3 O6","O=C(O)CN1C(=O)C(=O)NC1(O)C(N)C(O)C;C[CH](O)[CH](N)[C]1(O)NC(=O)C(=O)N1CC(O)=O;CC(C(C1(NC(=O)C(=O)N1CC(=O)O)O)N)O","InChI=1S/C8H13N3O6/c1-3(12)5(9)8(17)10-6(15)7(16)11(8)2-4(13)14/h3,5,12,17H,2,9H2,1H3,(H,10,15)(H,13,14)/t3-,5+,8-/m1/s1","CHROMOPHORE (THR-PHE-GLY)","2007-03-23","2024-09-27","{(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid",""],["V6T","DMHBI+","C22 H26 N3 O4","COc1cc(cc(OC)c1O)C=C2N=C(C)N(C2=O)c3ccc(cc3)[N+](C)(C)C;CC1=NC(=Cc2cc(c(c(c2)OC)O)OC)C(=O)N1c3ccc(cc3)[N+](C)(C)C","InChI=1S/C22H25N3O4/c1-14-23-18(11-15-12-19(28-5)21(26)20(13-15)29-6)22(27)24(14)16-7-9-17(10-8-16)25(2,3)4/h7-13H,1-6H3/p+1","5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-2-methyl-3-[4-(trimethyl-$l^{4}-azanyl)phenyl]-2~{H}-imidazol-4-one","2021-04-20","2021-06-11","[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium","2021-06-16"],["C9A","4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate","C30 H29 Cl F N3 O5 S","O=S(=O)(c1ccc(cc1)CN4c2cc(c(F)cc2C(=O)C(C(=O)OCc3ccc(Cl)cc3)=C4)N5CCN(C)CC5)C;CN1CCN(CC1)c2cc3N(Cc4ccc(cc4)[S](C)(=O)=O)C=C(C(=O)OCc5ccc(Cl)cc5)C(=O)c3cc2F;CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl","InChI=1S/C30H29ClFN3O5S/c1-33-11-13-34(14-12-33)28-16-27-24(15-26(28)32)29(36)25(30(37)40-19-21-3-7-22(31)8-4-21)18-35(27)17-20-5-9-23(10-6-20)41(2,38)39/h3-10,15-16,18H,11-14,17,19H2,1-2H3","","2010-11-04","2011-06-04","4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate",""],["V6U","methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate","C17 H16 Cl N5 O2","COC(=O)c1ccccc1Cc2cn(C)nc2c3cc(Cl)nc(N)n3;Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3ccccc3C(=O)OC","InChI=1S/C17H16ClN5O2/c1-23-9-11(7-10-5-3-4-6-12(10)16(24)25-2)15(22-23)13-8-14(18)21-17(19)20-13/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21)","","2023-02-23","2023-04-21","methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate","2023-04-26"],["C9B","(3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine","C16 H16 N4 O","C1CN([CH](CO1)c2ccccc2)c3ccnc4n[nH]cc34;c1ccc(cc1)C2COCCN2c3ccnc4c3c[nH]n4","InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)/t15-/m1/s1","","2017-11-23","2018-03-02","(3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine","2018-03-07"],["V6V","5-bromo-3-methyl-1H-indole-2-carboxylic acid","C10 H8 Br N O2","Cc2c1c(ccc(c1)Br)nc2C(O)=O;Cc1c([nH]c2ccc(Br)cc12)C(O)=O;Cc1c2cc(ccc2[nH]c1C(=O)O)Br","InChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)","","2020-07-09","2021-07-09","5-bromo-3-methyl-1H-indole-2-carboxylic acid","2021-07-14"],["C9C","4-(2-hydroxyethyloxycarbonyl)benzoic acid","C10 H10 O5","OCCOC(=O)c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)C(=O)OCCO","InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)","monohydroxyethyl terephthalate","2019-04-16","2021-03-01","4-(2-hydroxyethyloxycarbonyl)benzoic acid","2020-04-15"],["V6W","NE-Acetyl-L-tryptophan","C13 H14 N2 O4","N[CH](Cc1cn(CC(O)=O)c2ccccc12)C(O)=O;c1ccc2c(c1)c(cn2CC(=O)O)CC(C(=O)O)N","InChI=1S/C13H14N2O4/c14-10(13(18)19)5-8-6-15(7-12(16)17)11-4-2-1-3-9(8)11/h1-4,6,10H,5,7,14H2,(H,16,17)(H,18,19)/t10-/m0/s1","","2021-04-20","2024-09-27","(2~{S})-2-azanyl-3-[1-(2-hydroxy-2-oxoethyl)indol-3-yl]propanoic acid","2023-08-16"],["C9D","(2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide","C12 H21 N5 O7 S","O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCC2)=O)(O)=O;O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)[CH]2CCNC2;C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CCNC2","InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1","open form - WCK 5153","2017-09-20","2024-09-27","(2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide","2018-08-01"],["V6X","4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine","C21 H16 N4 O2","Cc1cc(Oc2nccc3occc23)ccc1c4n5ccnc5cnc4C;Cc1cc(ccc1c2c(ncc3n2ccn3)C)Oc4c5ccoc5ccn4","InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3","PF-6142","2023-07-07","2024-08-30","4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine","2024-09-04"],["C9E","Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate","C10 H10 N2 O2","CCOC(=O)c1ccnc2[nH]ccc12;CCOC(=O)c1ccnc2c1cc[nH]2","InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)","","2017-11-23","2018-03-02","ethyl 1~{H}-pyrrolo[2,3-b]pyridine-4-carboxylate","2018-03-07"],["V6Y","3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid","C29 H21 N O6","c2cc1nc(C(=O)O)c(c1cc2)c3cc(ccc3)OCc4cccc(c4)Oc5ccc(cc5)C(O)=O;OC(=O)c1[nH]c2ccccc2c1c3cccc(OCc4cccc(Oc5ccc(cc5)C(O)=O)c4)c3;c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O","InChI=1S/C29H21NO6/c31-28(32)19-11-13-21(14-12-19)36-23-8-3-5-18(15-23)17-35-22-7-4-6-20(16-22)26-24-9-1-2-10-25(24)30-27(26)29(33)34/h1-16,30H,17H2,(H,31,32)(H,33,34)","","2020-07-09","2021-07-09","3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid","2021-07-14"],["C9F","Diltiazem","C22 H26 N2 O4 S","COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O;CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC","InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1","","2019-04-18","2023-04-10","[(2~{S},3~{S})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate","2019-06-12"],["V6Z","methyl N-(2-chlorobenzoyl)glycinate","C10 H10 Cl N O3","O=C(NCC(=O)OC)c1ccccc1Cl;COC(=O)CNC(=O)c1ccccc1Cl;COC(=O)CNC(=O)c1ccccc1Cl","InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)","","2022-08-29","2022-10-28","methyl N-(2-chlorobenzoyl)glycinate","2022-11-02"],["C9G","2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one","C17 H13 N5 O2","c3cc(c2cn(c1ccc(cc1)O)nn2)nc4C(N(C)C=Cc34)=O;CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)cc4;CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O","InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3","","2017-09-20","2017-12-29","2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one","2018-01-03"],["V70","ruthenium polypyridyl complex (delta enantiomer)","C38 H26 N6 Ru","N1c2c(N[Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12;c1ccc2c(c1)c3ccccc3c4c2N[Ru]56(N4)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2","InChI=1S/C14H10N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,15-16H;2*1-8H;/q-2;;;+6","","2023-02-23","2025-12-01","","2024-03-06"],["C9H","5-(pentylsulfanyl)-1H-1,2,4-triazole","C7 H13 N3 S","S(c1ncnn1)CCCCC;CCCCCSc1[nH]ncn1;CCCCCSc1[nH]ncn1","InChI=1S/C7H13N3S/c1-2-3-4-5-11-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)","","2012-07-02","2012-11-23","5-(pentylsulfanyl)-1H-1,2,4-triazole","2012-11-23"],["V71","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside","C12 H25 F N4 O5","C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O;NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1F;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)F)O)N)O)O)N","InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside;\n(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-D-galactoside;\n(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-galactoside","2015-06-17","2020-07-17","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside","2016-06-22"],["C9I","(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide","C23 H23 N5 O3","CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34;CCC(c1cccc2c1cccc2)NC(=O)C3CN(C(=O)O3)c4ccc(nc4)C(=N)N","InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1","","2021-12-14","2022-11-18","(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide","2022-11-23"],["V72","N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide","C19 H24 N6 O2","CCC(=O)N(C)C1CC(C)(C1)Oc1nc(cn2nccc12)c1cn(C)nc1;CCC(=O)N(C)[CH]1C[C](C)(C1)Oc2nc(cn3nccc23)c4cnn(C)c4;CCC(=O)N(C)C1CC(C1)(C)Oc2c3ccnn3cc(n2)c4cnn(c4)C","InChI=1S/C19H24N6O2/c1-5-17(26)24(4)14-8-19(2,9-14)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h6-7,10-12,14H,5,8-9H2,1-4H3/t14-,19-","","2023-09-11","2024-09-27","N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide","2024-06-26"],["C9J","2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one","C17 H12 F N5 O2","c2c1c(C(N(C)C=C1)=O)nc(c2)c3cn(nn3)c4ccc(c(c4)F)O;CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4;CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O","InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3","","2017-09-20","2017-12-29","2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one","2018-01-03"],["V73","N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide","C11 H15 N O2","O=C(Cc1ccccc1)N(C)CCO;CN(CCO)C(=O)Cc1ccccc1;CN(CCO)C(=O)Cc1ccccc1","InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3","","2022-08-29","2022-10-28","N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide","2022-11-02"],["C9K","2-[[(2~{S})-2-azanylpropyl]amino]ethanol","C5 H14 N2 O","C[CH](N)CNCCO;CC(CNCCO)N","InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1","","2017-11-23","2024-09-27","2-[[(2~{S})-2-azanylpropyl]amino]ethanol","2018-07-18"],["V74","3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid","C30 H23 N O6","c1cc(cc(c1)Oc2ccc(C(O)=O)cc2)COCc5cc(c4c3c(cccc3)nc4C(O)=O)ccc5;OC(=O)c1[nH]c2ccccc2c1c3cccc(COCc4cccc(Oc5ccc(cc5)C(O)=O)c4)c3;c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O","InChI=1S/C30H23NO6/c32-29(33)21-11-13-23(14-12-21)37-24-8-4-6-20(16-24)18-36-17-19-5-3-7-22(15-19)27-25-9-1-2-10-26(25)31-28(27)30(34)35/h1-16,31H,17-18H2,(H,32,33)(H,34,35)","","2020-07-09","2021-07-09","3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid","2021-07-14"],["C9L","5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","C12 H21 N5","CCc1c(NC)nc(N)nc1N2CCCCC2;CCc1c(nc(nc1N2CCCCC2)N)NC","InChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16)","","2019-04-18","2020-10-23","5-ethyl-~{N}4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","2020-10-28"],["C9M","2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol","C11 H14 O3","Oc1ccc(cc1OC)/C=C/COC;COCC=Cc1ccc(O)c(OC)c1;COCC=Cc1ccc(c(c1)OC)O","InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+","","2012-05-02","2013-04-26","2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol","2013-05-01"],["V75","(2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid","C10 H14 O8","CC(=O)O[CH]1CO[CH]([CH](O)[CH]1OC(C)=O)C(O)=O;CC(=O)OC1COC(C(C1OC(=O)C)O)C(=O)O","InChI=1S/C10H14O8/c1-4(11)17-6-3-16-9(10(14)15)7(13)8(6)18-5(2)12/h6-9,13H,3H2,1-2H3,(H,14,15)/t6-,7-,8+,9-/m0/s1","","2021-04-21","2022-02-25","(2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid","2022-03-02"],["V77","{[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid","C16 H23 Cl O3","c1c(ccc(C(CCCCCCC)OCC(=O)O)c1)Cl;CCCCCCC[CH](OCC(O)=O)c1ccc(Cl)cc1;CCCCCCCC(c1ccc(cc1)Cl)OCC(=O)O","InChI=1S/C16H23ClO3/c1-2-3-4-5-6-7-15(20-12-16(18)19)13-8-10-14(17)11-9-13/h8-11,15H,2-7,12H2,1H3,(H,18,19)/t15-/m0/s1","","2018-10-17","2019-10-18","{[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid","2019-10-23"],["C9N","2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol","C6 H16 N2 O","C[CH](N)CN(C)CCO;CC(CN(C)CCO)N","InChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1","","2017-11-23","2024-09-27","2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol","2018-07-18"],["V78","methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","C40 H55 N5 O6 S","COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)[CH]4C[CH]=[S]=[CH]4)C(C)(C)C;CC(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)C4CC=S=C4)NC(=O)C(C(C)(C)C)NC(=O)OC)O","InChI=1S/C40H55N5O6S/c1-27(2)33-35(46)41-21-8-7-10-28-11-13-29(14-12-28)24-40(50,37(48)42-33)20-9-22-45(44-36(47)34(39(3,4)5)43-38(49)51-6)25-30-15-17-31(18-16-30)32-19-23-52-26-32/h7-8,11-18,23,26-27,32-34,50H,9-10,19-22,24-25H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t32-,33+,34-,40-/m1/s1","","2014-02-08","2014-12-12","methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","2014-12-17"],["C9O","~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide","C21 H14 Br F2 N7 O3 S","COc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc(Br)c5)c4F;COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F","InChI=1S/C21H14BrF2N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28)","","2019-04-22","2019-07-19","~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide","2019-07-24"],["V79","copper;trisodium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate ","C34 H34 Cu N4 O6","CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(O)=O)C6=[N+]5[Cu]47[N]8C(=CC1=[N+]27)C(=C(C(O)=O)C8=C6CC(O)=O)C)c(C)c3C=C;CCC1=C(c2cc3c(c(c4n3[Cu]56[n+]2c1cc7n5c(c(c8[n+]6c(c4)C(C8CCC(=O)O)C)CC(=O)O)c(c7C)C(=O)O)C)C=C)C","InChI=1S/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+4/p-2/t17-,21+;/m0./s1","","2023-07-09","2023-12-01","","2023-12-06"],["C9P","4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid","C17 H14 B N O8 S3","O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3;OB(O)c1ccc(C(O)=O)c(N[S](=O)(=O)c2scc(c2)[S](=O)(=O)c3ccccc3)c1;B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O","InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21)","3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID","2007-12-20","2024-09-27","4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid",""],["V7A","Sarecycline","C24 H29 N3 O8","c1(ccc(O)c2c1CC3C(C2=O)=C(O)C4(C(C3)C(C(=C(C4=O)C(N)=O)O)N(C)C)O)CN(C)OC;CON(C)Cc1ccc(O)c2C(=O)C3=C(O)[C]4(O)[CH](C[CH]3Cc12)[CH](N(C)C)C(=C(C(N)=O)C4=O)O;CN(C)C1C2CC3Cc4c(ccc(c4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC","InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1","","2020-07-10","2020-07-31","(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-{[methoxy(methyl)amino]methyl}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide","2020-08-05"],["C9Q","4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide","C16 H14 Cl N3 O","CCNC(=O)c1[nH]c2nccc(c3cccc(Cl)c3)c2c1;CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl","InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)","","2017-11-23","2018-03-02","4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide","2018-03-07"],["V7B","[(2~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate","C43 H80 O15","CC(C)CCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCC(C)C;CC(C)CCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C","InChI=1S/C43H80O15/c1-29(2)21-17-13-9-5-7-11-15-19-23-34(46)53-27-31(55-35(47)24-20-16-12-8-6-10-14-18-22-30(3)4)28-54-42-40(52)38(50)41(33(26-45)57-42)58-43-39(51)37(49)36(48)32(25-44)56-43/h29-33,36-45,48-52H,5-28H2,1-4H3/t31-,32-,33-,36-,37+,38-,39-,40-,41-,42-,43-/m1/s1","","2021-04-21","2022-02-25","[(2~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate","2022-03-02"],["C9R","~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide","C25 H17 F2 N7 O3 S","COc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc6ccccc56)c4F;COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F","InChI=1S/C25H17F2N7O3S/c1-37-25-17-11-15(12-28-24(17)30-31-25)20-13-34(33-29-20)23-18(26)9-10-19(22(23)27)32-38(35,36)21-8-4-6-14-5-2-3-7-16(14)21/h2-13,32H,1H3,(H,28,30,31)","","2019-04-22","2020-04-17","~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide","2020-04-22"],["C9T","(2~{R})-2-methyloctanoic acid","C9 H18 O2","CCCCCC[CH](C)C(O)=O;CCCCCCC(C)C(=O)O","InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m1/s1","","2017-11-23","2025-11-27","(2~{R})-2-methyloctanoic acid","2018-07-18"],["V7C","N-[(2R)-2-cyanopropyl]benzamide","C11 H12 N2 O","O=C(NCC(C)C#N)c1ccccc1;C[CH](CNC(=O)c1ccccc1)C#N;CC(CNC(=O)c1ccccc1)C#N","InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1","","2022-08-29","2022-10-28","N-[(2R)-2-cyanopropyl]benzamide","2022-11-02"],["V7D","2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid","C16 H24 N3 O7 P","OC(=O)C(N)(N)CCP(Oc1ccccc1)OC(CC)C(NCC(O)=O)=O;CC[CH](O[P](CCC(N)(N)C(O)=O)Oc1ccccc1)C(=O)NCC(O)=O;CCC(C(=O)NCC(=O)O)OP(CCC(C(=O)O)(N)N)Oc1ccccc1","InChI=1S/C16H24N3O7P/c1-2-12(14(22)19-10-13(20)21)26-27(9-8-16(17,18)15(23)24)25-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17-18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,27-/m0/s1","","2020-07-13","2024-09-27","2,2-diamino-4-[(R)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(phenoxy)phosphanyl]butanoic acid","2020-11-25"],["C9U","4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine","C24 H26 N8","CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCNCC4)n2)c(n1)c5cccnc5;CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5","InChI=1S/C24H26N8/c1-2-32-17-21(23(30-32)18-4-3-10-26-16-18)22-9-11-27-24(29-22)28-19-5-7-20(8-6-19)31-14-12-25-13-15-31/h3-11,16-17,25H,2,12-15H2,1H3,(H,27,28,29)","","2019-04-23","2020-04-10","4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine","2020-04-15"],["V7E","3',3'-c-di-araAMP","C20 H24 N10 O12 P2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7c(N)ncnc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6ncnc7N)O)O)N","InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11+,12+,13-,14-,19-,20-/m1/s1","(1S,6R,8R,9S,10S,15R,17R,18S)-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^5-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-9,18-diol","2021-04-22","2022-04-29","(1~{S},6~{R},8~{R},9~{S},10~{S},15~{R},17~{R},18~{S})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-9,18-diol","2022-05-04"],["C9V","[(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron","C82 H139 B F2 N2 O18 P2","C1(=CC(=[N+]3C1=C(CCCC(OC(COP(OCC(OC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)COC(C)=O)(=O)O)COP(O)(OCC(COC(CCCCCCC[C@H]=[C@H]CCCCCCCC)=O)OC(CCCCCCC[C@H]=[C@H]CCCCCCCC)=O)=O)=O)c2c(C)cc(n2[B-]3(F)F)C)C)C;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](CO[P](O)(=O)OC[CH](COC(C)=O)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCC1=C2C(=CC(=[N+]2[B-](F)(F)n3c(C)cc(C)c13)C)C)OC(=O)CCCCCCCC=CCCCCCCCC;[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)OC(COP(=O)(O)OCC(COC(=O)C)OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)C)C)(F)F","InChI=1S/C82H139BF2N2O18P2/c1-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-56-77(89)98-63-74(104-79(91)58-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-3)65-100-107(95,96)102-67-75(105-80(92)59-54-55-76-81-68(4)60-70(6)86(81)83(84,85)87-71(7)61-69(5)82(76)87)66-101-106(93,94)99-64-73(62-97-72(8)88)103-78(90)57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-2/h30-35,60-61,73-75H,9-29,36-59,62-67H2,1-8H3,(H,93,94)(H,95,96)/b33-30+,34-31+,35-32+/t73-,74+,75+/m0/s1","","2017-09-20","2018-03-02","[(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron","2018-03-07"],["V7F","ruthenium polypyridyl complex (lambda enantiomer)","C38 H26 N6 Ru","N1c2c(N[Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12;c1ccc2c(c1)c3ccccc3c4c2N[Ru]56(N4)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2","InChI=1S/C14H10N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,15-16H;2*1-8H;/q-2;;;+6","","2023-02-23","2025-12-01","","2024-03-06"],["C9W","4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide","C21 H23 F N4 O5 S","N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1COc2cc(F)c(C)cc2C1O;Cc1[nH]c(cc1C(=O)N2CC(C)(C2)C#N)[S](=O)(=O)N[CH]3COc4cc(F)c(C)cc4[CH]3O;Cc1cc2c(cc1F)OCC(C2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N","InChI=1S/C21H23FN4O5S/c1-11-4-14-17(6-15(11)22)31-7-16(19(14)27)25-32(29,30)18-5-13(12(2)24-18)20(28)26-9-21(3,8-23)10-26/h4-6,16,19,24-25,27H,7,9-10H2,1-3H3/t16-,19+/m1/s1","","2021-11-19","2022-04-01","4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide","2022-04-06"],["V7G","N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","C30 H35 N5 O5 S","C(C(NC(=O)C(NC(c2cc1c(OC)cccc1n2)=O)CC(C)C)CC3CCNC3=O)(c5nc4c(cccc4)s5)O;COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5ccccc5n4;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC","InChI=1S/C30H35N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,26,32,36H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-,26-/m0/s1","GRL-024-20","2020-07-13","2024-09-27","N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide","2020-08-19"],["C9X","2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","C34 H38 N3 O7 P","CC1=C([CH](c2cccc(c2)[N+]([O-])=O)C(=C(C)N1)[P]3(=O)OCC(C)(C)CO3)C(=O)OCCN(Cc4ccccc4)c5ccccc5;CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5","InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3/t31-/m1/s1","","2019-04-23","2019-11-01","2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","2019-11-06"],["V7H","(2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C28 H28 N2 O7","O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CNCc4ccccc4C(=O)NCc3ccccc3;OC(=O)CC[CH]1COc2c(O1)ccc(CNCc3ccccc3C(=O)NCc4ccccc4)c2C(O)=O;c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C28H28N2O7/c31-24(32)13-11-21-17-36-26-23(37-21)12-10-20(25(26)28(34)35)16-29-15-19-8-4-5-9-22(19)27(33)30-14-18-6-2-1-3-7-18/h1-10,12,21,29H,11,13-17H2,(H,30,33)(H,31,32)(H,34,35)/t21-/m0/s1","","2013-11-14","2014-09-05","(2S)-6-({[2-(benzylcarbamoyl)benzyl]amino}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-12-11"],["C9Y","{2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid","C18 H12 F N5 O4","O=C4N(C=Cc3ccc(c2cn(c1cc(c(cc1)O)F)nn2)nc34)CC(O)=O;OC(=O)CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4;c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O","InChI=1S/C18H12FN5O4/c19-12-7-11(2-4-15(12)25)24-8-14(21-22-24)13-3-1-10-5-6-23(9-16(26)27)18(28)17(10)20-13/h1-8,25H,9H2,(H,26,27)","","2017-09-20","2017-12-29","{2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid","2018-01-03"],["V7I","1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one","C20 H24 N6 O2","CCC(=O)N1CCC2C1CC2(C)Oc1nc(cn2nccc12)c1cn(C)nc1;CCC(=O)N1CC[CH]2[CH]1C[C]2(C)Oc3nc(cn4nccc34)c5cnn(C)c5;CCC(=O)N1CCC2C1CC2(C)Oc3c4ccnn4cc(n3)c5cnn(c5)C","InChI=1S/C20H24N6O2/c1-4-18(27)25-8-6-14-17(25)9-20(14,2)28-19-16-5-7-21-26(16)12-15(23-19)13-10-22-24(3)11-13/h5,7,10-12,14,17H,4,6,8-9H2,1-3H3/t14?,17-,20-/m0/s1","","2023-09-11","2024-09-27","1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one","2024-06-26"],["C9Z","(9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide","C35 H34 F N5 O5","COc1ccc(cc1)c2cc(n3C[CH]4[CH](O)[CH](O)CN4Cc23)C(=O)Nc5cc(ccn5)c6c(onc6c7ccc(F)cc7)C(C)C;CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4CC6C(C(CN6C5)O)O)c7ccc(cc7)OC","InChI=1S/C35H34FN5O5/c1-19(2)34-31(32(39-46-34)21-4-8-23(36)9-5-21)22-12-13-37-30(14-22)38-35(44)26-15-25(20-6-10-24(45-3)11-7-20)27-16-40-18-29(42)33(43)28(40)17-41(26)27/h4-15,19,28-29,33,42-43H,16-18H2,1-3H3,(H,37,38,44)/t28-,29+,33-/m0/s1","","2017-11-23","2019-03-08","(9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide","2019-03-13"],["V7J","2-(2,5-dioxopyrrolidin-1-yl)acetamide","C6 H8 N2 O3","C(N)(CN1C(=O)CCC1=O)=O;NC(=O)CN1C(=O)CCC1=O;C1CC(=O)N(C1=O)CC(=O)N","InChI=1S/C6H8N2O3/c7-4(9)3-8-5(10)1-2-6(8)11/h1-3H2,(H2,7,9)","","2020-07-13","2022-09-09","2-(2,5-dioxopyrrolidin-1-yl)acetamide","2022-09-14"],["CA","CALCIUM ION","Ca","[Ca+2];[Ca++];[Ca+2]","InChI=1S/Ca/q+2","","1999-07-08","2011-06-04","calcium",""],["CA0","5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine","C11 H15 N6 O8 P","O=P(OC(=O)N)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;NC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)N)O)O)N","InChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1","","2011-09-20","2011-12-23","5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine",""],["V7K","(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","C16 H18 N6 O9 S","N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O;c1cc(c2c(c1[N+](=O)[O-])non2)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1","","2021-04-23","2022-04-15","(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","2022-04-20"],["V7L","N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide","C9 H13 N3 O","CN(C(=O)CNC)c1ccccn1;CNCC(=O)N(C)c1ccccn1;CNCC(=O)N(C)c1ccccn1","InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3","","2022-08-29","2022-10-28","N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide","2022-11-02"],["CA1","ETHYL PROPIONATE","C5 H10 O2","O=C(OCC)CC;CCOC(=O)CC;CCC(=O)OCC","InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3","","2005-09-14","2011-06-04","ethyl propanoate",""],["V7M","1-fluoro-3,5-dimethylbenzene","C8 H9 F","Cc1cc(cc(c1)C)F;Cc1cc(C)cc(F)c1;Cc1cc(cc(c1)F)C","InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3","","2020-07-13","2024-09-27","1-fluoro-3,5-dimethylbenzene","2020-11-18"],["CA2","(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID","C16 H22 O6","O=C(O)C2(O)CC(O)C(O)C(CCCOc1ccccc1)C2;O[CH]1C[C](O)(C[CH](CCCOc2ccccc2)[CH]1O)C(O)=O;c1ccc(cc1)OCCCC2CC(CC(C2O)O)(C(=O)O)O","InChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1","1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC ACID","2005-05-26","2021-03-13","(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid",""],["CA3","COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE","C36 H54 N9 O17 P3 S","O=C(NCCc2c1ccccc1nc2)CCCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5ccccc45;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O","InChI=1S/C36H54N9O17P3S/c1-36(2,31(49)34(50)40-13-11-27(47)39-14-16-66-15-6-5-9-26(46)38-12-10-22-17-41-24-8-4-3-7-23(22)24)19-59-65(56,57)62-64(54,55)58-18-25-30(61-63(51,52)53)29(48)35(60-25)45-21-44-28-32(37)42-20-43-33(28)45/h3-4,7-8,17,20-21,25,29-31,35,41,48-49H,5-6,9-16,18-19H2,1-2H3,(H,38,46)(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,37,42,43)(H2,51,52,53)/t25-,29-,30-,31+,35-/m1/s1","","2002-01-29","2012-01-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-20-(1H-indol-3-yl)-2,2-dimethyl-4,8,17-trioxo-12-thia-5,9,18-triazaicos-1-yl dihydrogen diphosphate (non-preferred name)",""],["V7N","(2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid","C41 H54 O4","COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O;CC(=CC=CC(=CC=CC=C(C)C=CC=C(C=CC=C(C)C=CCC(C)(C)OC)C=O)C)CCC=C(C)C=CC=C(C)C(=O)O","InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29-","","2021-04-23","2022-02-25","(2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid","2022-03-02"],["V7O","META VANADATE","O19 V7","O=[V]O[V](=O)(=O)O[V](=O)(=O)O[V](=O)=O.O=[V](=O)O[V](=O)(=O)=O.O=[V](=O)=O;O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)O([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O","InChI=1S/19O.7V","","1999-07-08","2023-09-23","[bis(oxidanylidene)vanadio-[[[[bis(oxidanylidene)vanadio-[tris(oxidanylidene)vanadio]-$l^{3}-oxidanyl]-bis(oxidanylidene)vanadio]oxy-bis(oxidanylidene)vanadio]oxy-oxidanylidene-vanadio]-$l^{3}-oxidanyl]-tris(oxidanylidene)vanadium",""],["CA4","CYPROTERONE ACETATE","C24 H29 Cl O4","O=C4C=C3C(Cl)=CC1C(CCC2(C(OC(=O)C)(C(=O)C)CCC12)C)C3(C)C5CC45;CC(=O)O[C]1(CC[CH]2[CH]3C=C(Cl)C4=CC(=O)[CH]5C[CH]5[C]4(C)[CH]3CC[C]12C)C(C)=O;CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C","InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1","","2007-03-21","2011-06-04","(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate",""],["V7P","(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal","C12 H11 F N2 O2","c2(F)ccc1c(c(ccn1)CC(C=O)N)c2;N[CH](Cc1ccnc2ccc(F)cc12)C(O)=O;c1cc2c(cc1F)c(ccn2)CC(C(=O)O)N","InChI=1S/C12H11FN2O2/c13-8-1-2-11-9(6-8)7(3-4-15-11)5-10(14)12(16)17/h1-4,6,10H,5,14H2,(H,16,17)/t10-/m0/s1","","2020-07-13","2024-09-27","(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal","2020-11-18"],["CA5","COA-S-ACETYL 5-BROMOTRYPTAMINE","C33 H47 Br N9 O17 P3 S","Brc1ccc2c(c1)c(cn2)CCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5ccc(Br)cc45;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O","InChI=1S/C33H47BrN9O17P3S/c1-33(2,28(47)31(48)38-8-6-23(44)37-9-10-64-14-24(45)36-7-5-18-12-39-21-4-3-19(34)11-20(18)21)15-57-63(54,55)60-62(52,53)56-13-22-27(59-61(49,50)51)26(46)32(58-22)43-17-42-25-29(35)40-16-41-30(25)43/h3-4,11-12,16-17,22,26-28,32,39,46-47H,5-10,13-15H2,1-2H3,(H,36,45)(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,35,40,41)(H2,49,50,51)/t22-,26-,27-,28+,32-/m1/s1","","2002-01-28","2012-01-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-17-(5-bromo-1H-indol-3-yl)-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15-triazaheptadec-1-yl dihydrogen diphosphate (non-preferred name)",""],["V7Q","2,1,3-benzothiadiazol-4-ylmethanamine","C7 H7 N3 S","NCc1cccc2nsnc12;c1cc(c2c(c1)nsn2)CN","InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2","Benzo[c][1,2,5]thiadiazol-4-ylmethanamine; 2795209","2021-04-23","2021-07-30","2,1,3-benzothiadiazol-4-ylmethanamine","2021-08-04"],["CA6","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","C24 H42 N7 O18 P3 S","O=S(=O)(C)CCCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCCC[S](C)(=O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O","InChI=1S/C24H42N7O18P3S/c1-24(2,19(34)22(35)27-8-6-15(32)26-7-4-5-9-53(3,43)44)11-46-52(41,42)49-51(39,40)45-10-14-18(48-50(36,37)38)17(33)23(47-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)/t14-,17-,18-,19+,23-/m1/s1","","2012-05-02","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[4-(methylsulfonyl)butyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2012-10-12"],["V7R","4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide","C12 H18 N2 O3 S","Nc1ccc(cc1)[S](=O)(=O)N[CH]2CC[CH](O)CC2;c1cc(ccc1N)S(=O)(=O)NC2CCC(CC2)O","InChI=1S/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2/t10-,11-","","2023-02-24","2024-03-08","4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide","2024-03-13"],["CA7","7-cyclohexylheptyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C25 H46 O11","O(CCCCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C25H46O11/c26-13-16-18(28)19(29)21(31)25(34-16)36-23-17(14-27)35-24(22(32)20(23)30)33-12-8-3-1-2-5-9-15-10-6-4-7-11-15/h15-32H,1-14H2/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1","","2011-04-20","2011-07-29","7-cyclohexylheptyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["V7S","1,3-bis[(methylsulfanyl)methyl]benzene","C10 H14 S2","CSCc1cccc(c1)CSC;CSCc1cccc(CSC)c1;CSCc1cccc(c1)CSC","InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3","","2020-07-13","2024-09-27","1,3-bis[(methylsulfanyl)methyl]benzene","2020-11-18"],["CA8","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate","C29 H44 N7 O18 P3 S","O=S(=O)(c1ccccc1)CCCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCCC[S](=O)(=O)c4ccccc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O","InChI=1S/C29H44N7O18P3S/c1-29(2,24(39)27(40)32-12-10-20(37)31-11-6-7-13-58(48,49)18-8-4-3-5-9-18)15-51-57(46,47)54-56(44,45)50-14-19-23(53-55(41,42)43)22(38)28(52-19)36-17-35-21-25(30)33-16-34-26(21)36/h3-5,8-9,16-17,19,22-24,28,38-39H,6-7,10-15H2,1-2H3,(H,31,37)(H,32,40)(H,44,45)(H,46,47)(H2,30,33,34)(H2,41,42,43)/t19-,22-,23-,24+,28-/m1/s1","","2012-05-23","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[4-(phenylsulfonyl)butyl]amino}propyl)amino]butyl dihydrogen diphosphate (non-preferred name)","2012-10-12"],["V7T","(2R)-6-azanyl-2-carbamimidamido-hexanoic acid","C7 H16 N4 O2","NCCCC[CH](NC(N)=N)C(O)=O;C(CCN)CC(C(=O)O)NC(=N)N","InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1","","2021-04-23","2024-09-27","(2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid","2022-04-06"],["CA9","(1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol","C27 H42 O3","OC3C=C(C#CC1=CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C#CC3=C[CH](O)[CH](C)[CH](O)C3;CC1C(CC(=CC1O)C#CC2=CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)O","InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h9,16,18-19,22-25,28-30H,6-8,12-15,17H2,1-5H3/t18-,19-,22-,23-,24-,25-,27-/m1/s1","","2011-02-20","2011-09-09","(1R,2S,3R,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-methyl-9,10-secoestra-4,8-dien-6-yne-1,3-diol",""],["V7U","2,4-dinitroaniline","C6 H5 N3 O4","Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N","InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2","","2023-07-10","2024-05-24","2,4-dinitroaniline","2024-05-29"],["CAA","ACETOACETYL-COENZYME A","C25 H40 N7 O18 P3 S","O=C(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1","","1999-07-08","2025-07-29","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)",""],["V7V","3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid","C14 H10 N4 O2","OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3;c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O","InChI=1S/C14H10N4O2/c19-14(20)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)","","2017-07-27","2018-01-05","3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid","2018-01-10"],["CAB","4,4-dihydroxy-5-oxo-L-norvaline","C5 H9 N O5","O=CC(O)(O)CC(C(=O)O)N;N[CH](CC(O)(O)C=O)C(O)=O;C(C(C(=O)O)N)C(C=O)(O)O","InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1","","1999-07-08","2024-09-27","4,4-dihydroxy-5-oxo-L-norvaline",""],["V7W","(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid","C8 H9 N O2 S2","OC(=O)[CH]1CS[CH](N1)c2sccc2;c1cc(sc1)C2NC(CS2)C(=O)O","InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1","","2021-04-26","2021-08-20","(2~{S},4~{R})-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid","2021-08-25"],["CAC","CACODYLATE ION","C2 H6 As O2","[O-][As](=O)(C)C;C[As](C)([O-])=O;C[As](=O)(C)[O-]","InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1","dimethylarsinate","1999-07-08","2024-09-27","dimethylarsinate",""],["V7X","1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine","C10 H15 N3","NCc1cccnc1N1CCCC1;NCc1cccnc1N2CCCC2;c1cc(c(nc1)N2CCCC2)CN","InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2","","2022-08-29","2022-10-28","1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine","2022-11-02"],["CAD","CACODYLIC ACID","C2 H7 As O2","O=[As](O)(C)C;C[As](C)(O)=O;C[As](=O)(C)O","InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)","HYDROXYDIMETHYLARSINE OXIDE","1999-07-26","2020-06-17","dimethylarsinic acid",""],["V7Y","2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","C30 H24 N8 O2","Cn1cc(cn1)C#Cc6cccc2c6C(=O)N(C(=C2)C(C)NC(=O)c4c3ncccn3nc4N)c5ccccc5;C[CH](NC(=O)c1c(N)nn2cccnc12)C3=Cc4cccc(C#Cc5cnn(C)c5)c4C(=O)N3c6ccccc6;CC(C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N","InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1","","2020-07-13","2020-09-11","2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide","2020-09-16"],["CAE","CAMPHANE","C10 H18","CC2(C)C1CCC2(CC1)C;CC12CCC(CC1)C2(C)C;CC1(C2CCC1(CC2)C)C","InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+","","2001-01-26","2011-06-04","(1s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptane",""],["V7Z","methanesulfonamide","C H5 N O2 S","C[S](N)(=O)=O;CS(=O)(=O)N","InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)","72879; Methane sulfonamide; Methylsulfonamide","2021-04-26","2022-05-27","methanesulfonamide","2022-06-01"],["CAF","S-DIMETHYLARSINOYL-CYSTEINE","C5 H12 As N O3 S","O=C(O)C(N)CS[As](=O)(C)C;C[As](C)(=O)SC[CH](N)C(O)=O;C[As](=O)(C)SCC(C(=O)O)N","InChI=1S/C5H12AsNO3S/c1-6(2,10)11-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1","CYSTEIN-S-YL CACODYLATE","2001-01-30","2024-09-27","S-(dimethylarsoryl)-L-cysteine",""],["CAG","GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER]","C18 H23 N6 O16 P3","[O-][N+](=O)c1ccccc1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)C;C[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N)c4ccccc4[N+]([O-])=O;CC(c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O","InChI=1S/C18H23N6O16P3/c1-8(9-4-2-3-5-10(9)24(28)29)38-42(32,33)40-43(34,35)39-41(30,31)36-6-11-13(25)14(26)17(37-11)23-7-20-12-15(23)21-18(19)22-16(12)27/h2-5,7-8,11,13-14,17,25-26H,6H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H3,19,21,22,27)/t8-,11-,13-,14-,17-/m1/s1","","1999-07-08","2011-06-04","5'-O-[(S)-hydroxy{[(S)-hydroxy({(S)-hydroxy[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]guanosine",""],["V80","4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine","C17 H22 F2 N4","Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)n1;CN(C)CCc1cc(F)c(F)c(CCc2cc(C)nc(N)n2)c1;Cc1cc(nc(n1)N)CCc2cc(cc(c2F)F)CCN(C)C","InChI=1S/C17H22F2N4/c1-11-8-14(22-17(20)21-11)5-4-13-9-12(6-7-23(2)3)10-15(18)16(13)19/h8-10H,4-7H2,1-3H3,(H2,20,21,22)","","2022-12-13","2023-10-06","4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine","2023-10-11"],["V81","5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one","C24 H22 F3 N7 O","C(F)(F)(c1cc(cc3c1C(=O)N(C(C2CC2)C)C3)c4nc6n(cc4)nc(c6c5cn(C)nc5)N)F;C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5nc(N)c(c6cnn(C)c6)c5n4;CC(C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C","InChI=1S/C24H22F3N7O/c1-12(13-3-4-13)33-11-15-7-14(8-17(24(25,26)27)19(15)23(33)35)18-5-6-34-22(30-18)20(21(28)31-34)16-9-29-32(2)10-16/h5-10,12-13H,3-4,11H2,1-2H3,(H2,28,31)/t12-/m0/s1","","2020-07-13","2020-09-11","5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one","2020-09-16"],["CAH","5-EXO-HYDROXYCAMPHOR","C10 H16 O2","O=C1CC2C(C)(C1(CC2O)C)C;CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O;CC1(C2CC(=O)C1(CC2O)C)C","InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1","","1999-07-08","2011-06-04","(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",""],["V82","[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate","C50 H54 F N13 O17","CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2;CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O","InChI=1S/C50H54FN13O17/c1-26(65)52-19-29-24-64(50(79)81-29)28-11-12-36(33(51)17-28)61-13-15-62(16-14-61)49(78)80-25-63-23-27(59-60-63)18-54-47(76)35(58-46(75)32-7-4-10-39(68)43(32)72)21-55-48(77)34(57-45(74)31-6-3-9-38(67)42(31)71)20-53-40(69)22-56-44(73)30-5-2-8-37(66)41(30)70/h2-12,17,23,29,34-35,66-68,70-72H,13-16,18-22,24-25H2,1H3,(H,52,65)(H,53,69)(H,54,76)(H,55,77)(H,56,73)(H,57,74)(H,58,75)/t29-,34-,35-/m0/s1","","2021-04-26","2021-07-30","[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate","2021-08-04"],["CAI","CARBOMYCIN A","C42 H67 N O16","O=C(OC1C(O)(C)CC(OC1C)OC4C(OC(OC2C(OC)C(OC(=O)C)CC(=O)OC(C)CC3OC3C=CC(=O)C(C)CC2CC=O)C(O)C4N(C)C)C)CC(C)C;CO[CH]1[CH](CC(=O)O[CH](C)C[CH]2O[CH]2C=CC(=O)[CH](C)C[CH](CC=O)[CH]1O[CH]3O[CH](C)[CH](O[CH]4C[C](C)(O)[CH](OC(=O)CC(C)C)[CH](C)O4)[CH]([CH]3O)N(C)C)OC(C)=O;CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O","InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1","","2001-10-31","2011-06-04","(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)",""],["V83","(1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid","C19 H23 N O5 S","O=C(O)C1CC=CCC1C(=O)Nc1sc2CCCCCc2c1C(=O)OC;COC(=O)c1c(NC(=O)[CH]2CC=CC[CH]2C(O)=O)sc3CCCCCc13;COC(=O)c1c2c(sc1NC(=O)C3CC=CCC3C(=O)O)CCCCC2","InChI=1S/C19H23NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1","","2023-09-11","2024-04-12","(1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid","2024-04-17"],["CAJ","ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate","C26 H44 N7 O18 P3","O=C(OCC)CCCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCOC(=O)CCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCOC(=O)CCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H44N7O18P3/c1-4-46-17(35)7-5-6-9-28-16(34)8-10-29-24(38)21(37)26(2,3)12-48-54(44,45)51-53(42,43)47-11-15-20(50-52(39,40)41)19(36)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1","","2012-05-23","2024-09-27","ethyl (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaicosan-20-oate 3,5-dioxide (non-preferred name)","2012-10-12"],["V84","2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C25 H28 N6 O3","CC(N1Cc5c(C1=O)c(cc(c4nc3n(nc(c3C(=O)NC2CC(O)C2)N)cc4)c5)C)C6CC6;C[CH](C1CC1)N2Cc3cc(cc(C)c3C2=O)c4ccn5nc(N)c(C(=O)N[CH]6C[CH](O)C6)c5n4;Cc1cc(cc2c1C(=O)N(C2)C(C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O","InChI=1S/C25H28N6O3/c1-12-7-15(8-16-11-30(25(34)20(12)16)13(2)14-3-4-14)19-5-6-31-23(28-19)21(22(26)29-31)24(33)27-17-9-18(32)10-17/h5-8,13-14,17-18,32H,3-4,9-11H2,1-2H3,(H2,26,29)(H,27,33)/t13-,17-,18-/m0/s1","","2020-07-14","2021-10-29","2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2021-11-03"],["CAK","[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE","C7 H15 O8 P","O=P(O)(O)OCC1CC(O)C(O)C(O)C1O;O[CH]1C[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1O)O)O)O)COP(=O)(O)O","InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1","[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID","2006-05-01","2021-03-13","[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate",""],["V85","(2R)-N,3-diphenyl-2-sulfanyl-propanamide","C15 H15 N O S","S[CH](Cc1ccccc1)C(=O)Nc2ccccc2;c1ccc(cc1)CC(C(=O)Nc2ccccc2)S","InChI=1S/C15H15NOS/c17-15(16-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14,18H,11H2,(H,16,17)/t14-/m1/s1","N,3-diphenyl-2-sulfanylpropanamide; 113905928","2021-04-26","2022-01-14","(2~{R})-~{N},3-diphenyl-2-sulfanyl-propanamide","2022-01-19"],["CAL","5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOBUTYL-HEXANOIC ACID","C16 H31 N O3","O=C(O)C(CC(C)C)CC(O)C(N)CC1CCCCC1;CC(C)C[CH](C[CH](O)[CH](N)CC1CCCCC1)C(O)=O;CC(C)CC(CC(C(CC1CCCCC1)N)O)C(=O)O","InChI=1S/C16H31NO3/c1-11(2)8-13(16(19)20)10-15(18)14(17)9-12-6-4-3-5-7-12/h11-15,18H,3-10,17H2,1-2H3,(H,19,20)/t13-,14+,15+/m1/s1","","1999-07-08","2011-06-04","(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoic acid",""],["V86","2-bromo-N-ethylbenzamide","C9 H10 Br N O","O=C(NCC)c1ccccc1Br;CCNC(=O)c1ccccc1Br;CCNC(=O)c1ccccc1Br","InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)","","2022-08-29","2022-10-28","2-bromo-N-ethylbenzamide","2022-11-02"],["CAM","CAMPHOR","C10 H16 O","O=C1CC2CCC1(C)C2(C)C;CC1(C)[CH]2CC[C]1(C)C(=O)C2;CC1(C2CCC1(C(=O)C2)C)C","InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1","","1999-07-08","2011-06-04","(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",""],["V87","N-(4-phenylbutyl)formamide","C11 H15 N O","C(NCCCCc1ccccc1)=O;O=CNCCCCc1ccccc1;c1ccc(cc1)CCCCNC=O","InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13)","","2020-07-14","2020-09-11","N-(4-phenylbutyl)formamide","2020-09-16"],["CAN","CANALINE","C4 H10 N2 O3","O=C(O)C(N)CCON;NOCC[CH](N)C(O)=O;C(CON)C(C(=O)O)N","InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1","","1999-07-08","2011-06-04","O-amino-L-homoserine",""],["V88","7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine","C32 H47 N7 O2","COc1cc2c(NC3CCN(CC3)C(C)C)nc(NCCN(C)C)nc2cc1OCCCN4Cc5ccccc5C4;CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NCCN(C)C)OCCCN4Cc5ccccc5C4)OC","InChI=1S/C32H47N7O2/c1-23(2)39-15-11-26(12-16-39)34-31-27-19-29(40-5)30(20-28(27)35-32(36-31)33-13-17-37(3)4)41-18-8-14-38-21-24-9-6-7-10-25(24)22-38/h6-7,9-10,19-20,23,26H,8,11-18,21-22H2,1-5H3,(H2,33,34,35,36)","","2021-04-26","2022-04-29","7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-~{N}2-[2-(dimethylamino)ethyl]-6-methoxy-~{N}4-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine","2022-05-04"],["CAO","OXIDIZED COENZYME A","C21 H36 N7 O17 P3 S","O=C(NCCSO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSO;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSO)O","InChI=1S/C21H36N7O17P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-40)8-42-48(38,39)45-47(36,37)41-7-11-15(44-46(33,34)35)14(30)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,40H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1","","1999-07-08","2011-06-04","(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfenic acid 3,5-dioxide (non-preferred name)",""],["V8A","2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","C42 H60 N8 O8","C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O;O=C1N(CCCN2CCOCC2)C(=O)c3c(NCCCN4CCOCC4)cc5C(=O)N(CCCN6CCOCC6)C(=O)c7c(NCCCN8CCOCC8)cc1c3c57;c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8","InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2","","2020-07-14","2021-07-23","2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","2021-07-28"],["CAP","2-CARBOXYARABINITOL-1,5-DIPHOSPHATE","C6 H14 O13 P2","O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O;C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H14O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3-4,7-8,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)/t3-,4-,6-/m1/s1","","1999-07-08","2011-06-04","5-O-phosphono-2-C-[(phosphonooxy)methyl]-D-ribonic acid",""],["V8B","6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one","C17 H18 N2 O2","Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O;Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O","InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-9,21H,10H2,1-3H3","","2021-04-28","2021-07-23","6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one","2021-07-28"],["CAQ","CATECHOL","C6 H6 O2","Oc1ccccc1O;Oc1ccccc1O;c1ccc(c(c1)O)O","InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H","1,2-DIHYDROXYBENZENE","1999-12-14","2024-09-27","benzene-1,2-diol",""],["V8C","5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate","C25 H23 N3 O4","CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C([O-])=O)C(N)=O)=[N+](C)C)c1;CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C(=O)N","InChI=1S/C25H23N3O4/c1-27(2)15-6-9-18-21(12-15)32-22-13-16(28(3)4)7-10-19(22)23(18)17-8-5-14(24(26)29)11-20(17)25(30)31/h5-13H,1-4H3,(H2-,26,29,30,31)","","2023-07-10","2024-05-24","5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate","2024-05-29"],["CAR","CYTOSINE ARABINOSE-5'-PHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1","","1999-07-08","2011-06-04","4-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one",""],["CAS","S-(DIMETHYLARSENIC)CYSTEINE","C5 H12 As N O2 S","O=C(O)C(N)CS[As](C)C;C[As](C)SC[CH](N)C(O)=O;C[As](C)SCC(C(=O)O)N","InChI=1S/C5H12AsNO2S/c1-6(2)10-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","S-(dimethylarsanyl)-L-cysteine",""],["V8D","Etomidate","C14 H16 N2 O2","C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2;CCOC(=O)c1cncn1[CH](C)c2ccccc2;CCOC(=O)c1cncn1C(C)c2ccccc2","InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1","","2020-07-14","2024-01-23","ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate","2020-09-09"],["V8E","(4-butanoylpiperazin-1-yl)acetic acid","C10 H18 N2 O3","OC(=O)CN1CCN(CC1)C(=O)CCC;CCCC(=O)N1CCN(CC1)CC(O)=O;CCCC(=O)N1CCN(CC1)CC(=O)O","InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15)","","2022-08-29","2022-10-28","(4-butanoylpiperazin-1-yl)acetic acid","2022-11-02"],["CAT","DODECANE-TRIMETHYLAMINE","C15 H34 N","C(CCCC[N+](C)(C)C)CCCCCCC;CCCCCCCCCCCC[N+](C)(C)C;CCCCCCCCCCCC[N+](C)(C)C","InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1","","1999-07-08","2011-06-04","N,N,N-trimethyldodecan-1-aminium",""],["V8G","trans-4-butylcyclohexane-1-carboxylic acid","C11 H20 O2","C1C(C(=O)O)CCC(C1)CCCC;CCCC[CH]1CC[CH](CC1)C(O)=O;CCCCC1CCC(CC1)C(=O)O","InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-","","2020-07-16","2020-12-25","trans-4-butylcyclohexane-1-carboxylic acid","2020-12-30"],["CAU","(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol","C18 H22 N2 O2","OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2;CC(C)NC[CH](O)COc1cccc2[nH]c3ccccc3c12;CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O","InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1","(S)-Carazolol","2007-10-10","2020-06-17","(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol",""],["V8H","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C16 H26 N2 O15 P2","NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O;C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)O)O)O)O)O","InChI=1S/C16H26N2O15P2/c17-14(23)7-2-1-3-18(4-7)15-12(21)10(19)8(31-15)5-29-34(25,26)33-35(27,28)30-6-9-11(20)13(22)16(24)32-9/h1,3-4,8-13,15-16,19-22,24H,2,5-6H2,(H2,17,23)(H,25,26)(H,27,28)/t8-,9-,10-,11-,12-,13-,15-,16-/m1/s1","","2021-04-28","2022-04-15","[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2022-04-20"],["CAV","5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-2-ISOPROPYL-HEXANOIC ACID","C15 H29 N O4","O=C(O)C(C(C)C)C(O)C(O)C(N)CC1CCCCC1;CC(C)[CH]([CH](O)[CH](O)[CH](N)CC1CCCCC1)C(O)=O;CC(C)C(C(C(C(CC1CCCCC1)N)O)O)C(=O)O","InChI=1S/C15H29NO4/c1-9(2)12(15(19)20)14(18)13(17)11(16)8-10-6-4-3-5-7-10/h9-14,17-18H,3-8,16H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1","","1999-07-08","2011-06-04","5-amino-6-cyclohexyl-2,5,6-trideoxy-2-(1-methylethyl)-L-idonic acid",""],["V8I","2,4-dichloro-5-sulfamoylbenzoic acid","C7 H5 Cl2 N O4 S","N[S](=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl;c1c(c(cc(c1S(=O)(=O)N)Cl)Cl)C(=O)O","InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)","2,4-bis(chloranyl)-5-sulfamoyl-benzoic acid","2023-09-11","2024-09-13","2,4-bis(chloranyl)-5-sulfamoyl-benzoic acid","2024-09-18"],["CAW","N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide","C18 H20 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3c2ccccc2ccc3;OC[CH]1O[CH](NC(=O)NC(=O)c2cccc3ccccc23)[CH](O)[CH](O)[CH]1O;c1ccc2c(c1)cccc2C(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1","","2012-11-21","2014-09-05","N-[(naphthalen-1-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","2013-12-11"],["V8K","Dolichylphosphate","C55 H91 O4 P","C[CH](CCO[P](O)(O)=O)CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)O","InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h21,23,25,27,29,31,33,35,37,39-41,55H,13-20,22,24,26,28,30,32,34,36,38,42-44H2,1-12H3,(H2,56,57,58)/b40-21+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+/t55-/m1/s1","","2021-04-29","2022-02-11","[(3~{R},6~{E},8~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,8,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate","2022-02-16"],["CAX","(2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE","C10 H18 O3","O=C1C(C)C(C)(C)C(CC(O)O)C1;C[CH]1C(=O)C[CH](CC(O)O)C1(C)C;CC1C(=O)CC(C1(C)C)CC(O)O","InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1","(2S,4S)-ALPHA-CAMPHOLINIC ACID","2004-04-22","2021-03-13","(2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone",""],["V8L","N'-phenylacetohydrazide","C8 H10 N2 O","CC(=O)NNc1ccccc1;CC(=O)NNc1ccccc1;CC(=O)NNc1ccccc1","InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)","","2022-08-29","2022-10-28","N'-phenylacetohydrazide","2022-11-02"],["CAY","CARBOXYMETHYLENECYSTEINE","C5 H9 N O4 S","O=C(O)C(N)CSCC(=O)O;N[CH](CSCC(O)=O)C(O)=O;C(C(C(=O)O)N)SCC(=O)O","InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/f/h7,9H","","1999-07-08","2009-01-07","S-(carboxymethyl)-L-cysteine",""],["CAZ","ACYLATED CEFTAZIDIME","C17 H19 N5 O7 S2","O=C(O)C(ON=C(/C(=O)NC(C=O)C1N=C(C(=C)CS1)C(=O)O)c2nc(sc2)N)(C)C;CC(C)(ON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O","InChI=1S/C17H19N5O7S2/c1-7-5-30-13(21-10(7)14(25)26)8(4-23)19-12(24)11(9-6-31-16(18)20-9)22-29-17(2,3)15(27)28/h4,6,8,13H,1,5H2,2-3H3,(H2,18,20)(H,19,24)(H,25,26)(H,27,28)/b22-11-/t8-,13-/m1/s1","","2001-04-16","2024-09-27","(2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["V8M","N-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","C18 H24 N4 O5 S","O=C1NC2C(CCCCC(=O)NCCc3cc(ccc3O)[N+]([O-])=O)SCC2N1;Oc1ccc(cc1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])CCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)O","InChI=1S/C18H24N4O5S/c23-14-6-5-12(22(26)27)9-11(14)7-8-19-16(24)4-2-1-3-15-17-13(10-28-15)20-18(25)21-17/h5-6,9,13,15,17,23H,1-4,7-8,10H2,(H,19,24)(H2,20,21,25)/t13-,15-,17-/m0/s1","","2020-07-17","2026-04-06","N-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide","2021-03-03"],["V8N","2-[3-(aminomethyl)phenyl]ethanoic acid","C9 H11 N O2","NCc1cccc(CC(O)=O)c1;c1cc(cc(c1)CN)CC(=O)O","InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)","","2021-04-29","2024-09-27","2-[3-(aminomethyl)phenyl]ethanoic acid","2022-04-06"],["CB0","CIS-DIBROMOETHENE","C2 H2 Br2","Br[C@H]=[C@H]Br;BrC=CBr;C(=CBr)Br","InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-","","2014-06-25","2014-10-10","1,2-dibromoethene","2014-10-15"],["V8O","5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide","C19 H15 N3 O2 S2","Cc1cc(cnc1c2cccc3ncccc23)c4sc(cc4)[S](N)(=O)=O;Cc1cc(cnc1c2cccc3c2cccn3)c4ccc(s4)S(=O)(=O)N","InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24)","","2023-02-27","2023-12-08","5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide","2023-12-13"],["CB1","5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE","C9 H8 N4 O5","[O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N;NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O;c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N","InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)","CB1954; Tretazicar","2001-04-06","2020-05-27","5-aziridin-1-yl-2,4-dinitrobenzamide",""],["V8P","(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide","C40 H79 N O9","C(CCCCCCCCCCCCC(C(COC1C(C(O)C(C(O1)CO)O)O)NC(=O)CC(CCCCCCCCCCCCCC)O)O)C;CCCCCCCCCCCCCC[CH](O)CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(CC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCCCCCCCCC)O)O","InChI=1S/C40H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)29-36(45)41-33(31-49-40-39(48)38(47)37(46)35(30-42)50-40)34(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-35,37-40,42-44,46-48H,3-31H2,1-2H3,(H,41,45)/t32-,33+,34-,35-,37+,38+,39-,40+/m1/s1","","2020-07-17","2021-11-05","(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide","2021-11-10"],["CB2","PHOSPHORIC ACID MONO-[5-(4-AMINO-5-BROMO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER","C9 H13 Br N3 O8 P","BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1Br)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)Br","InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6+,8-/m1/s1","5-BROMO-CYTIDINEMONOPHOSPHATE","2003-05-19","2011-12-12","4-amino-5-bromo-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one",""],["V8Q","6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one","C4 H5 N3 O S","CC1=NNC(=O)NC1=S;CC1=NNC(=O)NC1=S","InChI=1S/C4H5N3OS/c1-2-3(9)5-4(8)7-6-2/h1H3,(H2,5,7,8,9)","6-Methyl-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one; 1383425","2021-04-30","2022-05-27","6-methyl-5-sulfanylidene-2~{H}-1,2,4-triazin-3-one","2022-06-01"],["CB3","10-PROPARGYL-5,8-DIDEAZAFOLIC ACID","C24 H23 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O;NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)ccc2N1;C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-glutamic acid",""],["CB4","PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE","C10 H15 B N4 O6 S","O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NCB(O)O)(C)C;CC(C)(ON=C(C(=O)NCB(O)O)c1csc(N)n1)C(O)=O;B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O","InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6-","","2001-04-16","2024-09-27","(5Z)-5-(2-amino-1,3-thiazol-4-yl)-1,1-dihydroxy-8,8-dimethyl-4-oxo-7-oxa-3,6-diaza-1-boranon-5-en-9-oic acid",""],["V8R","(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid","C22 H22 N2 O6","O[CH]1[CH](O)[CH](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[CH]1O)C(O)=O;c1ccc(cc1)Oc2cccc(c2)CCc3cn4c(n3)C(C(C(C4C(=O)O)O)O)O","InChI=1S/C22H22N2O6/c25-18-17(22(28)29)24-12-14(23-21(24)20(27)19(18)26)10-9-13-5-4-8-16(11-13)30-15-6-2-1-3-7-15/h1-8,11-12,17-20,25-27H,9-10H2,(H,28,29)/t17-,18+,19-,20+/m0/s1","","2023-07-10","2023-09-15","(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid","2023-09-20"],["V8T","(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine","C11 H17 N O","CC(C)Oc1ccc(cc1)C(C)N;CC(C)Oc1ccc(cc1)[CH](C)N;CC(C)Oc1ccc(cc1)C(C)N","InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1","","2022-08-29","2022-10-28","(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine","2022-11-02"],["CB5","COBALT BIS(1,2-DICARBOLLIDE)","C4 H22 B18 Co","[Co]|1|2|3|4|5|6|7|8([BH]9%10[BH]%11%12|1[BH]9%13[BH]%11%14%15[BH]%16|2%12[CH]%17%18|3[CH]%19|4%10[BH-]%20[BH]%17%19%21[BH]%14%16%18[BH+]%13%15%20%21)[BH]%22%23[BH]%24%25|5[BH]%26%27|6[CH]%28%29|7[CH]%30|8%22[BH]%31%32[BH]%23%24%33[BH]%25%26%34[BH]%27%28%35[BH]%29%30%31[BH]%32%33%34%35;[BH]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153","InChI=1S/2C2H11B9.Co/c3-1-2-4-6(3)9(3)5(1)7(1,2)8(2,4)10(4,6,9)11(5,7,8)9;3-1-2-5-6(3)7(3)10-4(1)8(1,2,10)9(2,5,10)11(5,6,7)10;/h2*1-11H;/q2*-1;+2/t2*3-;/m10./s1","","2005-06-14","2009-08-02","",""],["V8U","3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H38 N4 O6","CCC1=C(C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1=C(C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)","","2023-02-27","2024-09-27","3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2024-02-28"],["CB6","(1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid","C17 H18 O6 S","O=C(O)C3(O)C=C(OCc2sc1ccc(cc1c2)C)C(O)C(O)C3;Cc1ccc2sc(COC3=C[C](O)(C[CH](O)[CH]3O)C(O)=O)cc2c1;Cc1ccc2c(c1)cc(s2)COC3=CC(CC(C3O)O)(C(=O)O)O","InChI=1S/C17H18O6S/c1-9-2-3-14-10(4-9)5-11(24-14)8-23-13-7-17(22,16(20)21)6-12(18)15(13)19/h2-5,7,12,15,18-19,22H,6,8H2,1H3,(H,20,21)/t12-,15+,17-/m1/s1","","2009-06-17","2011-06-04","(1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid",""],["V8W","(R)-azanyl-[(2S)-pyrrolidin-2-yl]methanol","C5 H12 N2 O","OC(N)C1NCCC1;N[CH](O)[CH]1CCCN1;C1CC(NC1)C(N)O","InChI=1S/C5H12N2O/c6-5(8)4-2-1-3-7-4/h4-5,7-8H,1-3,6H2/t4-,5+/m0/s1","","2013-04-23","2014-09-05","(R)-amino[(2S)-pyrrolidin-2-yl]methanol","2013-05-01"],["CB7","(1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE","C25 H22 O6 S2","O[CH]1C[C](O)(C(O)=O)C(=C(OCc2ccc3sccc3c2)[CH]1O)Cc4ccc5sccc5c4;c1cc2c(ccs2)cc1CC3=C(C(C(CC3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5","InChI=1S/C25H22O6S2/c26-19-12-25(30,24(28)29)18(11-14-1-3-20-16(9-14)5-7-32-20)23(22(19)27)31-13-15-2-4-21-17(10-15)6-8-33-21/h1-10,19,22,26-27,30H,11-13H2,(H,28,29)/t19-,22+,25-/m1/s1","","2011-01-28","2011-08-12","(1R,4S,5R)-3-(1-benzothiophen-5-ylmethoxy)-2-(1-benzothiophen-5-ylmethyl)-1,4,5-trihydroxy-cyclohex-2-ene-1-carboxylic acid",""],["V8X","N-[(2S)-3-cyclopropyl-1-({(1E,2R)-1-imino-3-[(3R)-2-oxo-2,3-dihydropyridin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide","C23 H23 F2 N5 O3","O=C1N=CCC=C1CC(C=N)NC(=O)C(CC1CC1)NC(=O)c1cc2cc(F)cc(F)c2[NH]1;Fc1cc(F)c2[nH]c(cc2c1)C(=O)N[CH](CC3CC3)C(=O)N[CH](CC4=CCC=NC4=O)C=N;c1c2cc([nH]c2c(cc1F)F)C(=O)NC(CC3CC3)C(=O)NC(CC4=CCC=NC4=O)C=N","InChI=1S/C23H23F2N5O3/c24-15-7-14-9-19(29-20(14)17(25)10-15)23(33)30-18(6-12-3-4-12)22(32)28-16(11-26)8-13-2-1-5-27-21(13)31/h2,5,7,9-12,16,18,26,29H,1,3-4,6,8H2,(H,28,32)(H,30,33)/b26-11+/t16-,18+/m1/s1","","2023-09-11","2025-03-07","N-[(2S)-3-cyclopropyl-1-{[(1E,2R)-1-imino-3-(2-oxo-2,5-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide","2025-03-12"],["CB8","(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE","C21 H20 O6 S2","O[CH]1C[C](O)(C(O)=O)C(=C(OCc2sc3ccccc3c2)[CH]1O)Cc4sccc4;c1ccc2c(c1)cc(s2)COC3=C(C(CC(C3O)O)(C(=O)O)O)Cc4cccs4","InChI=1S/C21H20O6S2/c22-16-10-21(26,20(24)25)15(9-13-5-3-7-28-13)19(18(16)23)27-11-14-8-12-4-1-2-6-17(12)29-14/h1-8,16,18,22-23,26H,9-11H2,(H,24,25)/t16-,18+,21-/m1/s1","","2011-01-28","2011-08-12","(1R,4S,5R)-3-(1-benzothiophen-2-ylmethoxy)-1,4,5-trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-ene-1-carboxylic acid",""],["V8Y","7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid","C17 H20 Cl N O4 S","Clc1c2cccc(S(NCCCCCCC(=O)O)(=O)=O)c2ccc1;OC(=O)CCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12;c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O","InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21)","","2020-07-20","2020-08-28","7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid","2020-09-02"],["CB9","(2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C17 H20 N2 O6 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)C(=O)O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](C(O)=O)c2ccccc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)C(=O)O)C(=O)O)C","InChI=1S/C17H20N2O6S/c1-17(2)12(16(24)25)19-14(26-17)10(8-20)18-13(21)11(15(22)23)9-6-4-3-5-7-9/h3-8,10-12,14,19H,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t10-,11+,12+,14-/m1/s1","Bound form of Carbenicillin","2010-10-12","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["V8Z","(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene","C15 H24","CC1=CCC(C)(C)C=CCC(=CCC1)C;CC1=CCC(C=CCC(=CCC1)C)(C)C","InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+","(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene; 134687947; alpha-Caryophyllene; 3,7,10-Humulatriene","2021-04-30","2021-07-02","(1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene","2021-07-07"],["CBA","N-PYRIDOXYL-2,3-DIHYDROXYASPARTIC ACID-5-MONOPHOSPHATE","C12 H17 N2 O11 P","O=C(O)C(O)C(O)(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[C](O)([CH](O)C(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C(=O)O)O)(C(=O)O)O)O","InChI=1S/C12H17N2O11P/c1-5-8(15)7(6(2-13-5)4-25-26(22,23)24)3-14-12(21,11(19)20)9(16)10(17)18/h2,9,14-16,21H,3-4H2,1H3,(H,17,18)(H,19,20)(H2,22,23,24)/t9-,12+/m0/s1","","1999-07-08","2011-06-04","(3R)-2,3-dihydroxy-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-aspartic acid",""],["V90","2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide","C16 H23 F3 N2 O3 S2","O=S(=O)(N)c2c(F)c(F)c(SCCO)c(F)c2NC1CCCCCCC1;N[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC2CCCCCCC2;C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F","InChI=1S/C16H23F3N2O3S2/c17-11-12(18)16(26(20,23)24)14(13(19)15(11)25-9-8-22)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,23,24)","","2014-04-10","2015-01-23","2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide","2015-01-28"],["CBB","1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER","C25 H23 N5 O2","NC(=N)c1cccc(COC(=O)c2cc3ccccc3n2Cc4cccc(c4)C(N)=N)c1;c1ccc2c(c1)cc(n2Cc3cccc(c3)C(=N)N)C(=O)OCc4cccc(c4)C(=N)N","InChI=1S/C25H23N5O2/c26-23(27)19-8-3-5-16(11-19)14-30-21-10-2-1-7-18(21)13-22(30)25(31)32-15-17-6-4-9-20(12-17)24(28)29/h1-13H,14-15H2,(H3,26,27)(H3,28,29)","(3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate","2002-05-15","2021-10-18","(3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate",""],["CBC","N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE","C16 H10 Cl F3 N2 O4 S","FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c3oc2ccc(Cl)cc2c3;FC(F)(F)c1ccccc1[S](=O)(=O)NNC(=O)c2oc3ccc(Cl)cc3c2;c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl","InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)","","2005-08-09","2011-06-04","5-chloro-N'-{[2-(trifluoromethyl)phenyl]sulfonyl}-1-benzofuran-2-carbohydrazide",""],["V91","N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide","C16 H18 N4 O2 S2","C(C1CCCN1)(Nc4ccc(C(N2CC(C2)c3nccs3)=O)s4)=O;O=C(Nc1sc(cc1)C(=O)N2CC(C2)c3sccn3)[CH]4CCCN4;c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)C4CCCN4","InChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21)/t11-/m0/s1","","2020-07-20","2021-07-16","N-{5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl}-L-prolinamide","2021-07-21"],["V92","4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile","C10 H6 N2 O2","OC=1c2ccccc2NC(=O)C=1C#N;OC1=C(C#N)C(=O)Nc2ccccc12;c1ccc2c(c1)C(=C(C(=O)N2)C#N)O","InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)","","2022-08-29","2022-10-28","4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile","2022-11-02"],["CBD","CIBACRON BLUE","C29 H20 Cl N7 O11 S3","Clc1nc(nc(n1)Nc5ccc(Nc4cc(c(N)c3C(=O)c2ccccc2C(=O)c34)S(=O)(=O)O)cc5S(=O)(=O)O)Nc6ccccc6S(=O)(=O)O;Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4[S](O)(=O)=O)n3)c(c2)[S](O)(=O)=O)c5C(=O)c6ccccc6C(=O)c15)[S](O)(=O)=O;c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O","InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)","","1999-07-08","2011-06-04","1-amino-4-{[4-({4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",""],["V95","methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate","C16 H13 N3 O3","COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3;COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3","InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)","Mebendazole; 4030","2021-04-30","2022-04-01","methyl ~{N}-[6-(phenylcarbonyl)-1~{H}-benzimidazol-2-yl]carbamate","2022-04-06"],["CBE","2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE","C12 H13 N O2 S","O=C(C=1SCCOC=1C)Nc2ccccc2;CC1=C(SCCO1)C(=O)Nc2ccccc2;CC1=C(SCCO1)C(=O)Nc2ccccc2","InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)","5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID; CARBOXIN; CBX","2005-07-21","2020-06-17","2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide",""],["V96","7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid","C25 H17 N O13","N[CH](Cc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(O)=O)c(C(O)=O)c4C(=O)c3c2O)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O","InChI=1S/C25H17NO13/c26-9(23(34)35)4-6-1-2-10(27)7(3-6)13-20(31)17-16(22(33)21(13)32)18(29)8-5-11(28)14(24(36)37)15(25(38)39)12(8)19(17)30/h1-3,5,9,27-28,31-33H,4,26H2,(H,34,35)(H,36,37)(H,38,39)/t9-/m0/s1","","2023-07-11","2023-08-11","7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid","2023-08-16"],["CBF","(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide","C7 H13 N O7","O=C(N)C1(O)OC(C(O)C(O)C1O)CO;NC(=O)[C]1(O)O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)(C(=O)N)O)O)O)O)O","InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1","C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDE","2003-05-01","2020-07-17","(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)",""],["V97","N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid","C20 H22 N4 O6 S2","c23sc(CCCCc1ccc(C(=O)NC(CCC(O)=O)C(O)=O)s1)cc2C(NC(=N3)N)=O;NC1=Nc2sc(CCCCc3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22N4O6S2/c21-20-23-16(27)12-9-11(32-18(12)24-20)4-2-1-3-10-5-7-14(31-10)17(28)22-13(19(29)30)6-8-15(25)26/h5,7,9,13H,1-4,6,8H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1","","2020-07-20","2021-03-26","N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid","2021-03-31"],["CBG","PROPANAL","C3 H6 O","O=CCC;CCC=O;CCC=O","InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","","1999-07-08","2011-06-04","propanal",""],["V98","~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide","C31 H38 Cl N3 O4 S2","Clc1ccc(CN(C2CCCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(CC4CCNCC4)Cc5ccccc5)cc1;c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5","InChI=1S/C31H38ClN3O4S2/c32-28-12-10-26(11-13-28)24-35(29-8-4-5-9-29)41(38,39)31-16-14-30(15-17-31)40(36,37)34(22-25-6-2-1-3-7-25)23-27-18-20-33-21-19-27/h1-3,6-7,10-17,27,29,33H,4-5,8-9,18-24H2","","2016-12-06","2017-01-26","~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide","2017-02-01"],["CBH","S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE","C9 H17 N O4 S","O=C(O)CCCCSCCC(C(=O)O)N;N[CH](CCSCCCCC(O)=O)C(O)=O;C(CCSCCC(C(=O)O)N)CC(=O)O","InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1","","2002-06-05","2011-06-04","5-{[(3S)-3-amino-3-carboxypropyl]sulfanyl}pentanoic acid",""],["V99","3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine","C6 H12 N4 S","CCSc1nnc(CC)n1N;CCSc1nnc(CC)n1N;CCc1nnc(n1N)SCC","InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3","","2022-08-29","2022-10-28","3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine","2022-11-02"],["CBI","CELLOBIOSE","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1","","1999-07-08","2020-07-17","4-O-beta-D-glucopyranosyl-beta-D-glucopyranose",""],["V9A","N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid","C20 H22 N4 O7 S","OC(CCC(C(O)=O)NC(=O)c3ccc(CCCCc1cc2c(s1)N=C(N)NC2=O)o3)=O;NC1=Nc2sc(CCCCc3oc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C20H22N4O7S/c21-20-23-16(27)12-9-11(32-18(12)24-20)4-2-1-3-10-5-7-14(31-10)17(28)22-13(19(29)30)6-8-15(25)26/h5,7,9,13H,1-4,6,8H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1","","2020-07-20","2021-03-26","N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid","2021-03-31"],["CBJ","6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C18 H12 Br N O6","O=C(O)c2c(ccc1OCCOc12)CN4c3ccc(Br)cc3C(=O)C4=O;OC(=O)c1c(CN2C(=O)C(=O)c3cc(Br)ccc23)ccc4OCCOc14;c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4","InChI=1S/C18H12BrNO6/c19-10-2-3-12-11(7-10)15(21)17(22)20(12)8-9-1-4-13-16(14(9)18(23)24)26-6-5-25-13/h1-4,7H,5-6,8H2,(H,23,24)","","2010-07-05","2011-06-04","6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",""],["CBK","4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose","C12 H22 O11","O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12+/m1/s1","","2010-09-02","2020-07-17","4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose",""],["V9B","N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide","C9 H12 N2 O2","CCC(=O)c1c[nH]c(c1)C(=O)NC;CCC(=O)c1cc([nH]c1)C(=O)NC","InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13)","N-methyl-4-propionyl-1H-pyrrole-2-carboxamide; 1481809","2021-05-01","2021-07-23","~{N}-methyl-4-propanoyl-1~{H}-pyrrole-2-carboxamide","2021-07-28"],["V9C","2-phenylethylcarbamic acid","C9 H11 N O2","OC(=O)NCCc1ccccc1;c1ccc(cc1)CCNC(=O)O","InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)","","2017-01-09","2024-09-27","2-phenylethylcarbamic acid","2017-11-15"],["CBL","CHLORAMBUCIL","C14 H19 Cl2 N O2","ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl;OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl;c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl","InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)","","1999-07-08","2011-06-04","4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid",""],["V9D","N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide","C8 H8 N2 O4","C(=O)(NO)c1cccc(c1)C(NO)=O;ONC(=O)c1cccc(c1)C(=O)NO;c1cc(cc(c1)C(=O)NO)C(=O)NO","InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)","","2020-07-20","2020-10-09","N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide","2020-10-14"],["CBM","CARBOXYMETHYL GROUP","C2 H4 O2","O=C(O)C;CC(O)=O;CC(=O)O","InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H","","1999-07-08","2008-10-14","acetic acid",""],["V9E","4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine","C13 H12 Cl N5 S","Cn1cc(Cc2sccc2)c(n1)c3cc(Cl)nc(N)n3;Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccs3","InChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17)","","2023-02-27","2023-12-29","4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine","2024-01-03"],["CBN","CLOROBIOCIN","C35 H37 Cl N2 O11","O=C(c1ccc(O)c(c1)CC=C(/C)C)NC4=C(O)c5ccc(OC3OC(C(OC)C(OC(=O)c2ccc(n2)C)C3O)(C)C)c(Cl)c5OC4=O;CO[CH]1[CH](OC(=O)c2[nH]c(C)cc2)[CH](O)[CH](Oc3ccc4C(=C(NC(=O)c5ccc(O)c(CC=C(C)C)c5)C(=O)Oc4c3Cl)O)OC1(C)C;Cc1ccc([nH]1)C(=O)OC2C(C(OC(C2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O","InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1","","2002-02-14","2011-06-04","N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide",""],["V9F","Marbostat 200","C29 H33 N5 O6","CN1C(=O)[N]2Cc3n(Cc4ccc(cc4)C(=O)NO)c5ccc(OCCN6CCOCC6)cc5c3[C](C)(C2)C1=O;CC12CN(Cc3c1c4cc(ccc4n3Cc5ccc(cc5)C(=O)NO)OCCN6CCOCC6)C(=O)N(C2=O)C","InChI=1S/C29H33N5O6/c1-29-18-33(28(37)31(2)27(29)36)17-24-25(29)22-15-21(40-14-11-32-9-12-39-13-10-32)7-8-23(22)34(24)16-19-3-5-20(6-4-19)26(35)30-38/h3-8,15,38H,9-14,16-18H2,1-2H3,(H,30,35)/t29-/m1/s1","","2023-09-11","2024-08-02","","2024-08-07"],["CBO","CARBENOXOLONE","C34 H50 O7","O=C(O)CCC(=O)OC4CCC3(C5C(=O)C=C2C1CC(C(=O)O)(C)CCC1(C)CCC2(C5(CCC3C4(C)C)C)C)C;CC1(C)[CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)OC(=O)CCC(O)=O;CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C","InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1","","1999-07-08","2011-06-04","(3beta,5beta,10alpha,14beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acid",""],["V9G","7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE","C22 H32 N10 O17 P3","CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(N)ncnc56;CN1C=[N](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)OC)O)O)O","InChI=1S/C22H32N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,26)(H3,24,28,29,36)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1","","2020-07-21","2020-08-21","[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate","2020-08-26"],["CBP","2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE","C19 H20 Cl N O6 S","O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3;ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2;c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO","InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)","","1999-09-13","2011-06-04","2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide",""],["V9H","3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide","C20 H26 N4 O3","CNC(=O)c1cc(n(n1)[CH](C)c2ccccc2)C(=O)N[CH]3CC[CH](O)CC3;CC(c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O","InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15-,16-/m0/s1","N5-((1r,4S)-4-hydroxycyclohexyl)-N3-methyl-1-((S)-1-phenylethyl)-1H-pyrazole-3,5-dicarboxamide","2021-05-01","2021-07-23","~{N}3-methyl-~{N}5-(4-oxidanylcyclohexyl)-1-[(1~{S})-1-phenylethyl]pyrazole-3,5-dicarboxamide","2021-07-28"],["CBQ","[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID","C6 H9 Cl N2 O6 P2","O=P(O)(O)C(Nc1ncc(Cl)cc1)P(=O)(O)O;O[P](O)(=O)C(Nc1ccc(Cl)cn1)[P](O)(O)=O;c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)","[{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE","2004-04-20","2020-06-17","{[(5-chloropyridin-2-yl)amino]methanediyl}bis(phosphonic acid)",""],["V9I","ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate","C10 H18 N2 O4","CONC(=O)C1CCCN(C1)C(=O)OCC;CCOC(=O)N1CCC[CH](C1)C(=O)NOC;CCOC(=O)N1CCCC(C1)C(=O)NOC","InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1","","2022-08-29","2022-10-28","ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate","2022-11-02"],["CBR","5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H13 Br N3 O7 P","BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1Br)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O","InChI=1S/C9H13BrN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","2003-07-16","2011-06-04","5-bromo-2'-deoxycytidine 5'-(dihydrogen phosphate)",""],["V9J","3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol","C20 H13 F O3 S","c1c(ccc(c1)O)Oc3sc2c(ccc(c2)O)c3c4ccc(cc4)F;Oc1ccc(Oc2sc3cc(O)ccc3c2c4ccc(F)cc4)cc1;c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F","InChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H","","2020-07-21","2020-11-20","3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol","2020-11-25"],["CBT","N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE","C15 H13 Cl2 N5","Clc1ccc(cc1)CN(c2nnnn2)Cc3ccc(Cl)cc3;Clc1ccc(CN(Cc2ccc(Cl)cc2)c3n[nH]nn3)cc1;c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl","InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)","","2003-07-21","2011-06-04","N,N-bis(4-chlorobenzyl)-2H-tetrazol-5-amine",""],["V9K","2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide","C21 H26 N2 O4","CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3;CC(c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O","InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1","N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide","2021-05-01","2021-07-23","~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide","2021-07-28"],["CBU","(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL","C6 H12 O6","OC1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C1(C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1","","2008-05-03","2024-09-27","(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol",""],["V9L","ortho-vanillin","C8 H8 O3","COc1cccc(C=O)c1O;COc1cccc(c1O)C=O","InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3","3-methoxy-2-oxidanyl-benzaldehyde; 2-hydroxy-3-methoxybenzaldehyde","2023-02-27","2025-06-20","3-methoxy-2-oxidanyl-benzaldehyde","2025-06-25"],["CBV","5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE)","C9 H13 Br N3 O8 P","BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N;NC1=NC(=O)N(C=C1Br)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)Br","InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2006-10-19","2011-06-04","5-bromocytidine 5'-(dihydrogen phosphate)",""],["CBW","(3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID","C30 H46 O4","O=C(O)C5(C)CC4C3=CC(=O)C1C(CCC2C1(C)CCC(O)C2(C)C)(C)C3(C)CCC4(C)CC5;CC1(C)[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O;CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C","InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1","","2008-11-30","2011-06-04","(3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid",""],["V9M","(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium","C15 H32 N O2","C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O;CC(C)[CH]([NH+](C)CC[CH](C)CC(C)(C)C)C(O)=O;CC(C)C(C(=O)O)[NH+](C)CCC(C)CC(C)(C)C","InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1","","2020-07-21","2024-09-27","(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium","2020-09-16"],["CBX","CARBOXY GROUP","C H2 O2","O=CO;OC=O;C(=O)O","InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)/f/h2H","","1999-07-08","2008-10-14","formic acid",""],["V9N","(3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide","C23 H24 N2 O4","CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45;CC1(COc2c1cc(cc2C(=O)NC)C(=O)NC3C4C3COC4)c5ccccc5","InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1","rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide","2021-05-02","2021-07-23","(3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide","2021-07-28"],["V9O","7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid","C24 H17 N O11","NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(O)=O)c(C(O)=O)c4C(=O)c3c2O;c1cc(c(cc1CCN)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O","InChI=1S/C24H17NO11/c25-4-3-7-1-2-10(26)8(5-7)13-20(30)17-16(22(32)21(13)31)18(28)9-6-11(27)14(23(33)34)15(24(35)36)12(9)19(17)29/h1-2,5-6,26-27,30-32H,3-4,25H2,(H,33,34)(H,35,36)","","2023-07-11","2023-08-11","7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid","2023-08-16"],["CBY","COB(II)INAMIDE","C48 H72 Co N11 O8","[Co++].C[CH](O)CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]3CCC(N)=O;CC1=C2C(C(C3[N-]2[Co+2]45[N]6=C1C(C(C6=CC7=[N]4C(=C(C8=[N]5C3(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NCC(C)O","InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1","","2008-03-27","2023-09-23","",""],["V9P","1-(2-chloroethyl)-1H-imidazole","C5 H7 Cl N2","ClCCn1ccnc1;ClCCn1ccnc1;c1cn(cn1)CCCl","InChI=1S/C5H7ClN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2","","2022-08-29","2022-10-28","1-(2-chloroethyl)-1H-imidazole","2022-11-02"],["CBZ","CARBOBENZOXY GROUP","C8 H8 O2","O=COCc1ccccc1;O=COCc1ccccc1;c1ccc(cc1)COC=O","InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2","","1999-07-08","2008-10-14","benzyl formate",""],["V9Q","(3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide","C24 H23 N3 O4","CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56;CNC(=O)c1cc(cc2c1OCC2c3cccc4c3cc[nH]4)C(=O)NC5C6C5COC6","InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1","N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide","2021-05-02","2021-07-23","(3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide","2021-07-28"],["CC0","(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID","C29 H38 N3 O10 P","O=C(O)COc1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC(c3ccc(OCC2CCCCC2)c(C(=O)N)c3)C;C[CH](NC(=O)[CH](Cc1ccc(OCC(O)=O)c(c1)[P](O)(O)=O)NC(C)=O)c2ccc(OCC3CCCCC3)c(c2)C(N)=O;CC(c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)C(Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C","InChI=1S/C29H38N3O10P/c1-17(21-9-11-24(22(14-21)28(30)36)41-15-19-6-4-3-5-7-19)31-29(37)23(32-18(2)33)12-20-8-10-25(42-16-27(34)35)26(13-20)43(38,39)40/h8-11,13-14,17,19,23H,3-7,12,15-16H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)(H2,38,39,40)/t17-,23-/m0/s1","","2001-05-08","2011-06-04","{4-[(2S)-2-(acetylamino)-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid",""],["V9R","~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","C31 H41 N5 O7","CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O;CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NCc4ccccc4)O","InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24+,25-/m0/s1","(R,S,S)-13b; 13b-H; ketoamide inhibitor 13b (bound)","2023-02-28","2023-08-13","~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate","2023-03-08"],["CC1","{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID","C30 H41 N3 O10 P2","O=P(O)(O)c1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4c3c(cc(OCC2CCCCC2)c(C(=O)N)c3)CCCC4;CC(=O)N[CH](Cc1ccc(c(c1)[P](O)(O)=O)[P](O)(O)=O)C(=O)N[CH]2CCCCc3cc(OCC4CCCCC4)c(cc23)C(N)=O;CC(=O)NC(Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)NC2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N","InChI=1S/C30H41N3O10P2/c1-18(34)32-25(13-20-11-12-27(44(37,38)39)28(14-20)45(40,41)42)30(36)33-24-10-6-5-9-21-15-26(23(29(31)35)16-22(21)24)43-17-19-7-3-2-4-8-19/h11-12,14-16,19,24-25H,2-10,13,17H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)(H2,40,41,42)/t24-,25-/m0/s1","","2000-07-20","2011-06-04","Nalpha-acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamide",""],["V9S","6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid","C35 H31 N5 O4 S","s5c(N/N=C4/c3c(ccc(c1ccc(c(C(O)=O)n1)OCCc2ccccc2)c3)CCC4)nc(c5)C(NCc6ccccc6)=O;OC(=O)c1nc(ccc1OCCc2ccccc2)c3ccc4CCCC(=NNc5scc(n5)C(=O)NCc6ccccc6)c4c3;c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)C(=NNc5nc(cs5)C(=O)NCc6ccccc6)CCC4","InChI=1S/C35H31N5O4S/c41-33(36-21-24-10-5-2-6-11-24)30-22-45-35(38-30)40-39-29-13-7-12-25-14-15-26(20-27(25)29)28-16-17-31(32(37-28)34(42)43)44-19-18-23-8-3-1-4-9-23/h1-6,8-11,14-17,20,22H,7,12-13,18-19,21H2,(H,36,41)(H,38,40)(H,42,43)/b39-29+","","2020-07-21","2021-02-19","6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid","2021-02-24"],["CC2","4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one","C22 H18 O3","O=C2Oc1cc(c(cc1C(O)=C2Cc4c3ccccc3ccc4)C)C;Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34;Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4","InChI=1S/C22H18O3/c1-13-10-18-20(11-14(13)2)25-22(24)19(21(18)23)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,23H,12H2,1-2H3","","2009-09-16","2011-06-04","4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one",""],["V9T","4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","C28 H38 N6 O3","CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CC5(CCC5)[CH]4C6CC6)cc3O)C2;CNc1cc(ncn1)N2CCCC(C2)(CNC(=O)c3ccc(cc3O)CN4CC5(C4C6CC6)CCC5)O","InChI=1S/C28H38N6O3/c1-29-23-13-24(32-18-31-23)33-11-3-10-28(37,17-33)15-30-26(36)21-7-4-19(12-22(21)35)14-34-16-27(8-2-9-27)25(34)20-5-6-20/h4,7,12-13,18,20,25,35,37H,2-3,5-6,8-11,14-17H2,1H3,(H,30,36)(H,29,31,32)/t25-,28+/m0/s1","","2021-05-03","2021-10-15","4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","2021-10-20"],["CC3","N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE","C21 H18 F3 N5 O","FC(F)(F)c1cc(ccc1)Nc2nc(ncc2)Nc4cc(NC(=O)C3CC3)ccc4;FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1;c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F","InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)","","2006-10-27","2011-06-04","N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide",""],["V9U","3-azanyl-6-chloranyl-isoindol-1-one","C8 H5 Cl N2 O","NC1=NC(=O)c2cc(Cl)ccc12;c1cc2c(cc1Cl)C(=O)N=C2N","InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12)","","2023-09-11","2023-12-22","3-azanyl-6-chloranyl-isoindol-1-one","2023-12-27"],["CC4","2-(SELANYLMETHYL)PROP-2-ENOIC ACID","C4 H6 O2 Se","O=C(O)C(=C)C[SeH];OC(=O)C(=C)C[SeH];C=C(C[SeH])C(=O)O","InChI=1S/C4H6O2Se/c1-3(2-7)4(5)6/h7H,1-2H2,(H,5,6)","","2011-03-22","2012-01-13","2-(selanylmethyl)prop-2-enoic acid",""],["V9V","N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid","C19 H20 N4 O6 S2","c21C(NC(=Nc1sc(c2)CCCc3ccc(C(NC(CCC(=O)O)C(=O)O)=O)s3)N)=O;NC1=Nc2sc(CCCc3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H20N4O6S2/c20-19-22-15(26)11-8-10(31-17(11)23-19)3-1-2-9-4-6-13(30-9)16(27)21-12(18(28)29)5-7-14(24)25/h4,6,8,12H,1-3,5,7H2,(H,21,27)(H,24,25)(H,28,29)(H3,20,22,23,26)/t12-/m0/s1","","2020-07-21","2021-03-26","N-{5-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid","2021-03-31"],["CC5","BETA-D-ERYTHROFURANOSYL-ADENOSINE","C9 H11 N5 O3","n2c1c(ncnc1n(c2)C3OCC(O)C3O)N;Nc1ncnc2n(cnc12)[CH]3OC[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(CO3)O)O)N","InChI=1S/C9H11N5O3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(16)4(15)1-17-9/h2-4,6,9,15-16H,1H2,(H2,10,11,12)/t4-,6-,9-/m1/s1","","2006-01-09","2011-06-04","(2R,3R,4R)-2-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diol",""],["V9W","(3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol","C32 H41 N7 O","CC1(C)CCN(CC1)Cc2ccc3[nH]c(C[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)nc3c2;CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)CC4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C","InChI=1S/C32H41N7O/c1-31(2)12-15-38(16-13-31)21-25-9-10-26-27(17-25)37-29(36-26)19-32(40)11-6-14-39(22-32)30-18-28(34-23-35-30)33-20-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,40H,6,11-16,19-22H2,1-2H3,(H,36,37)(H,33,34,35)/t32-/m1/s1","","2021-05-03","2021-10-15","(3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol","2021-10-20"],["CC6","3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one","C15 H10 O6","OC=2C(=O)c1c(O)cc(cc1OC=2c3ccccc3O)O;Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3O)O;c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O","InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H","","2016-04-16","2016-08-12","3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one","2016-08-17"],["V9X","3-(1H-indol-3-yl)propanamide","C11 H12 N2 O","NC(=O)CCc1c[NH]c2ccccc21;NC(=O)CCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCC(=O)N","InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)","","2022-08-29","2022-10-28","3-(1H-indol-3-yl)propanamide","2022-11-02"],["CC7","4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one","C9 H12 N3 O7 P","O=C1N=C(N)C=CN1C3OC2COP(=O)(OC2C3O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH]3CO[P](O)(=O)O[CH]3[CH]2O;C1C2C(C(C(O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O","InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1","","2008-10-20","2011-06-04","4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one",""],["V9Y","N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide","C6 H6 N2 O5","C(=O)(NO)c1ccc(o1)C(=O)NO;ONC(=O)c1oc(cc1)C(=O)NO;c1cc(oc1C(=O)NO)C(=O)NO","InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)","","2020-07-21","2020-10-09","N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide","2020-10-14"],["CC8","(2S)-2-METHYL-3-SULFANYLPROPANOIC ACID","C4 H8 O2 S","O=C(O)C(C)CS;C[CH](CS)C(O)=O;CC(CS)C(=O)O","InChI=1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)/t3-/m1/s1","","2010-09-22","2012-01-13","(2S)-2-methyl-3-sulfanylpropanoic acid",""],["CC9","curcumin","C21 H20 O6","O=C(C=Cc1ccc(O)c(OC)c1)CC(=O)C=Cc2cc(OC)c(O)cc2;COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O;COc1cc(ccc1O)C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O","InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+","(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione","2013-04-19","2021-03-13","(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione","2019-08-28"],["V9Z","N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide","C27 H30 N2 O3","CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3;Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC","InChI=1S/C27H30N2O3/c1-19-15-23(16-20(2)26(19)32-4)27(31)29(18-25(30)28-3)17-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,24H,17-18H2,1-4H3,(H,28,30)","N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)benzamide","2021-05-03","2021-07-16","~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide","2021-07-21"],["VA","(Z)-OCTADEC-11-ENYL ACETATE","C20 H38 O2","O=C(OCCCCCCCCCCC=C/CCCCCC)C;CCCCCCC=CCCCCCCCCCCOC(C)=O;CCCCCCC=CCCCCCCCCCCOC(=O)C","InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-","","2006-05-08","2011-06-04","(11Z)-octadec-11-en-1-yl acetate",""],["CCA","2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER","C17 H22 N O4","O=C(OC)C3C1[NH+](C)C(CC1)CC3OC(=O)c2ccccc2;COC(=O)[CH]1[CH](C[CH]2CC[CH]1[NH+]2C)OC(=O)c3ccccc3;C[NH+]1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)OC","InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1","COCAINE","2001-04-12","2021-03-01","(1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane",""],["VA0","Rifamycin S","C37 H45 N O12","CC(=O)OC1C(C)C(OC)C=COC2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C1C;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(=CC3=O)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10?,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1","(2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate","2022-08-18","2023-03-10","(2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate","2023-03-15"],["CCB","CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE","C10 H17 N O","O=CN(C1CCC1)C2CCCC2;O=CN(C1CCCC1)C2CCC2;C1CCC(C1)N(C=O)C2CCC2","InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2","N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE","2004-07-26","2020-06-17","N-cyclobutyl-N-cyclopentylformamide",""],["VA1","{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID","C11 H10 B N O4 S","O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2;OB(O)c1sc2ccc(CN(C=O)C=O)cc2c1;B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O","InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2","5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID","2006-09-01","2024-09-27","{5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid",""],["CCC","CYTIDINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE","C9 H13 N3 O10 P2","O=P1(OC2C(OC(C2O1)COP(=O)(O)O)N3C=CC(=NC3=O)N)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH]3O[P](O)(=O)O[CH]23;C1=CN(C(=O)N=C1N)C2C3C(C(O2)COP(=O)(O)O)OP(=O)(O3)O","InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1","","2000-01-19","2011-06-04","[(2S,3aR,4R,6R,6aR)-6-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate",""],["VA3","TRIVANADATE","O8 V3","O.[O-].O=[V](=O)O[V]O[V](=O)=O;[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O","InChI=1S/H2O.7O.3V/h1H2;;;;;;;;;;/q;;;;;;;-1;;;+1/p-1","","2002-08-08","2023-09-23","",""],["CCD","(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM","C8 H20 N O","OC(C)CCC[N+](C)(C)C;C[CH](O)CCC[N+](C)(C)C;CC(CCC[N+](C)(C)C)O","InChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1","","2006-06-15","2024-09-27","(4R)-4-hydroxy-N,N,N-trimethylpentan-1-aminium",""],["VA4","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine","C11 H17 Cl N5 O11 P3","n1c(c2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O)(C(P(=O)(O)O)Cl)=O)N;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O)N","InChI=1S/C11H17ClN5O11P3/c12-11(29(19,20)21)30(22,23)28-31(24,25)26-2-6-5(18)1-7(27-6)17-4-16-8-9(13)14-3-15-10(8)17/h3-7,11,18H,1-2H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t5-,6+,7+,11+/m0/s1","","2018-03-22","2018-06-29","5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine","2018-07-04"],["CCE","2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM","C6 H15 N2 O2","O=C(OCC[N+](C)(C)C)N;C[N+](C)(C)CCOC(N)=O;C[N+](C)(C)CCOC(=O)N","InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1","CARBAMYL-CHOLINE","2004-01-15","2020-06-17","2-(carbamoyloxy)-N,N,N-trimethylethanaminium",""],["VA5","9-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-threo-pentofuranosyl}-9H-purin-6-amine","C11 H16 Cl F N5 O11 P3","P(=O)(O)(OP(O)(C(Cl)(P(O)(O)=O)F)=O)OCC3OC(n1cnc2c1ncnc2N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[C](F)(Cl)[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)(P(=O)(O)O)Cl)O)O)N","InChI=1S/C11H16ClFN5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6-,7+,11-/m1/s1","","2018-03-22","2018-06-29","9-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-threo-pentofuranosyl}-9H-purin-6-amine","2018-07-04"],["CCH","[7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON","C33 H30 Fe N4 O5","CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=O)C(=C(CCC(O)=O)C5=C2)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C","InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26;/h6,11-15H,1,7-10H2,2-5H3,(H4,34,35,36,37,38,39,40,41,42);/q;+2/p-2/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-;","CLOROCRUORO HEM","1999-07-08","2023-09-23","",""],["VA6","9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine","C11 H16 F2 N5 O11 P3","n1c(c2c(nc1)n(cn2)C3CC(O)C(COP(O)(=O)OP(C(P(O)(O)=O)(F)F)(O)=O)O3)N;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N","InChI=1S/C11H16F2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7-/m0/s1","","2018-03-22","2018-07-13","9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine","2018-07-18"],["CCI","CALICHEAMICIN GAMMA-1-OLIGOSACCHARIDE","C38 H61 I N2 O17 S","Ic2c(c(c(OC)c(OC)c2OC1OC(C)C(O)C(OC)C1O)C(=O)SC3C(O)CC(OC3C)ONC5C(O)C(OC4OCC(NCC)C(OC)C4)C(OC)OC5C)C;CCN[CH]1CO[CH](C[CH]1OC)O[CH]2[CH](O)[CH](NO[CH]3C[CH](O)[CH](SC(=O)c4c(C)c(I)c(O[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5O)c(OC)c4OC)[CH](C)O3)[CH](C)O[CH]2OC;CCNC1COC(CC1OC)OC2C(C(C(OC2OC)C)NOC3CC(C(C(O3)C)SC(=O)c4c(c(c(c(c4OC)OC)OC5C(C(C(C(O5)C)O)OC)O)I)C)O)O","InChI=1S/C38H61IN2O17S/c1-11-40-19-14-52-22(13-21(19)47-6)56-33-28(44)26(16(3)54-38(33)51-10)41-58-23-12-20(42)35(18(5)53-23)59-36(46)24-15(2)25(39)31(34(50-9)30(24)48-7)57-37-29(45)32(49-8)27(43)17(4)55-37/h16-23,26-29,32-33,35,37-38,40-45H,11-14H2,1-10H3/t16-,17+,18-,19+,20+,21+,22+,23+,26-,27+,28+,29-,32-,33-,35-,37+,38-/m1/s1","","1999-10-10","2013-03-19","S-[(2R,3S,4S,6S)-6-({[(2R,3S,4S,5R,6R)-5-{[(2S,4S,5S)-5-(ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methoxy-2-methyltetrahydro-2H-pyran-3-yl]amino}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl] 4-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-iodo-5,6-dimethoxy-2-methylbenzenecarbothioate (non-preferred name)",""],["VA7","2'-deoxy-5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine","C11 H16 Cl2 N5 O11 P3","n1c(c2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Cl)Cl)=O)N;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N","InChI=1S/C11H16Cl2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7+/m0/s1","","2018-03-22","2018-07-20","2'-deoxy-5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine","2018-07-25"],["CCJ","Carboxymthylated D- Cysteine","C5 H9 N O4 S","N[CH](CSCC(O)=O)C(O)=O;C(C(C(=O)O)N)SCC(=O)O","InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","","2017-06-01","2025-03-14","(2~{S})-2-azanyl-3-(2-hydroxy-2-oxoethylsulfanyl)propanoic acid","2025-03-19"],["VA8","~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide","C33 H42 N8 O2","CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5cccc6nc[nH]c56)ncn4;CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C","InChI=1S/C33H42N8O2/c1-32(2)12-15-40(16-13-32)19-24-7-9-25(10-8-24)31(42)35-20-33(43)11-4-14-41(21-33)29-17-28(37-23-38-29)34-18-26-5-3-6-27-30(26)39-22-36-27/h3,5-10,17,22-23,43H,4,11-16,18-21H2,1-2H3,(H,35,42)(H,36,39)(H,34,37,38)/t33-/m1/s1","","2021-05-04","2021-10-15","~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide","2021-10-20"],["CCK","[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid","C20 H20 N6 O2","O=C(O)Cc1ccn(c1)c2nc(cnc2)n4ncc3ccc(cc34)NC(C)C;CC(C)Nc1ccc2cnn(c3cncc(n3)n4ccc(CC(O)=O)c4)c2c1;CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O","InChI=1S/C20H20N6O2/c1-13(2)23-16-4-3-15-9-22-26(17(15)8-16)19-11-21-10-18(24-19)25-6-5-14(12-25)7-20(27)28/h3-6,8-13,23H,7H2,1-2H3,(H,27,28)","","2008-08-11","2011-06-04","[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid",""],["VA9","7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid","C26 H19 N O12","CC(=O)NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(O)=O)c(C(O)=O)c4C(=O)c3c2O;CC(=O)NCCc1ccc(c(c1)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O","InChI=1S/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39)","","2023-07-11","2023-08-11","7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid","2023-08-16"],["CCL","N~6~-[(CYCLOPENTYLOXY)CARBONYL]-D-LYSINE","C12 H22 N2 O4","O=C(OC1CCCC1)NCCCCC(C(=O)O)N;N[CH](CCCCNC(=O)OC1CCCC1)C(O)=O;C1CCC(C1)OC(=O)NCCCCC(C(=O)O)N","InChI=1S/C12H22N2O4/c13-10(11(15)16)7-3-4-8-14-12(17)18-9-5-1-2-6-9/h9-10H,1-8,13H2,(H,14,17)(H,15,16)/t10-/m1/s1","","2007-06-08","2011-06-04","N~6~-[(cyclopentyloxy)carbonyl]-D-lysine",""],["VAA","N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE","C15 H24 N8 O6 S","O=C(NS(=O)(=O)NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C;CC(C)[CH](N)C(=O)N[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)C(C(=O)NS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C15H24N8O6S/c1-6(2)8(16)14(26)22-30(27,28)21-3-7-10(24)11(25)15(29-7)23-5-20-9-12(17)18-4-19-13(9)23/h4-8,10-11,15,21,24-25H,3,16H2,1-2H3,(H,22,26)(H2,17,18,19)/t7-,8+,10-,11-,15-/m1/s1","","2000-06-27","2011-06-04","5'-deoxy-5'-[(L-valylsulfamoyl)amino]adenosine",""],["CCM","1-METHYL-1-CARBOXY-CYCLOPENTANE","C7 H12 O2","O=C(O)C1(C)CCCC1;CC1(CCCC1)C(O)=O;CC1(CCCC1)C(=O)O","InChI=1S/C7H12O2/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)","","1999-07-08","2011-06-04","1-methylcyclopentanecarboxylic acid",""],["VAB","4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid","C14 H14 N2 O3 S2","O=C(O)CCC(=O)Nc1ccc2nc(SC/C=C)sc2c1;OC(=O)CCC(=O)Nc1ccc2nc(SCC=C)sc2c1;C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O","InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-4,8H,1,5-7H2,(H,15,17)(H,18,19)","","2012-02-15","2014-09-05","4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid",""],["CCN","ACETONITRILE","C2 H3 N","N#CC;CC#N;CC#N","InChI=1S/C2H3N/c1-2-3/h1H3","","1999-07-08","2011-06-04","acetonitrile",""],["VAC","N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE","C39 H42 N2 O5","O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CC(C(=O)NC5c4ccccc4CC5O)Cc6ccccc6;O[CH](C[CH](Cc1ccccc1)C(=O)N[CH]2[CH](O)Cc3ccccc23)C[CH](Cc4ccccc4)C(=O)N[CH]5[CH](O)Cc6ccccc56;c1ccc(cc1)CC(CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4CC3O)O)C(=O)NC5c6ccccc6CC5O","InChI=1S/C39H42N2O5/c42-31(21-29(19-25-11-3-1-4-12-25)38(45)40-36-32-17-9-7-15-27(32)23-34(36)43)22-30(20-26-13-5-2-6-14-26)39(46)41-37-33-18-10-8-16-28(33)24-35(37)44/h1-18,29-31,34-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t29-,30-,34-,35-,36+,37+/m1/s1","","1999-07-08","2011-06-04","(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide",""],["CCO","CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)-1,2,4-OXADIAZOL","C10 H7 Cl N2 O3 S","Clc1cccc(c1)c2nc(SCC(=O)O)on2;OC(=O)CSc1onc(n1)c2cccc(Cl)c2;c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O","InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-6(4-7)9-12-10(16-13-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)","","2001-02-26","2011-06-04","{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid",""],["VAD","DEAMINOHYDROXYVALINE","C5 H10 O3","O=C(O)C(O)C(C)C;CC(C)[CH](O)C(O)=O;CC(C)C(C(=O)O)O","InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1","","1999-07-08","2024-09-27","(2R)-2-hydroxy-3-methylbutanoic acid",""],["CCP","BUTYLPHOSPHONATE","C4 H11 O3 P","O=P(O)(O)CCCC;CCCC[P](O)(O)=O;CCCCP(=O)(O)O","InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)","","1999-07-08","2024-09-27","butylphosphonic acid",""],["VAE","3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid","C16 H12 O6","O=C(O)c2cccc(O/C(C(=O)O)=C/c1ccccc1)c2O;OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2;c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O)O","InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9+","","2011-05-23","2012-05-10","3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid",""],["CCQ","L-CARNITINYL-COA INNER SALT","C28 H49 N8 O18 P3 S","CC(C)(CO[P]([O-])(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[CH](O)C[N+](C)(C)C;CC(C)(COP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C[N+](C)(C)C)O)O","InChI=1S/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/t16-,17-,21-,22-,23+,27-/m1/s1","O5'-(4-(3-{2-[2-((R)-3-HYDROXY-4-(TRIMETHYLAMMONIO)-1-OXO-BUTYL)SULFANYL-ETHYLCARBAMOYL]-ETHYLCARBAMOYL}-(R)-3-HYDROXY-2,2-DIMETHYL-PROPYL)-1-HYDROXY-3-OXIDO-1,3-DIOXO-2,4-DIOXA-1,3-DIPHOSPHABUT-1-YL) 3'-PHOSPHO-ADENOSINE","2004-11-11","2021-03-13","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(3R)-3-hydroxy-4-trimethylazaniumyl-butanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate",""],["CCR","[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE","C29 H39 N5 O7 S","O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3;COc1cc(C)c(c(C)c1C)[S](=O)(=O)N[CH](CC(O)=O)C(=O)N[CH](Cc2ccc(cc2)C(N)=N)C(=O)N3CCCCC3;Cc1cc(c(c(c1S(=O)(=O)NC(CC(=O)O)C(=O)NC(Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC","InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1","CRC200 (CHIRON-BEHRING)","2001-10-23","2020-06-17","N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine",""],["VAF","METHYLVALINE","C6 H13 N O","O=C(C)C(N)C(C)C;CC(C)[CH](N)C(C)=O;CC(C)C(C(=O)C)N","InChI=1S/C6H13NO/c1-4(2)6(7)5(3)8/h4,6H,7H2,1-3H3/t6-/m0/s1","","1999-07-08","2011-08-06","(3S)-3-amino-4-methylpentan-2-one",""],["VAH","(3R)-3-hydroxy-L-norvaline","C5 H11 N O3","O=C(O)C(N)C(O)CC;CC[CH](O)[CH](N)C(O)=O;CCC(C(C(=O)O)N)O","InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1","L-3-Hydroxynorvaline","2010-06-16","2024-09-27","(3R)-3-hydroxy-L-norvaline",""],["CCS","CARBOXYMETHYLATED CYSTEINE","C5 H9 N O4 S","O=C(O)C(N)CSCC(=O)O;N[CH](CSCC(O)=O)C(O)=O;C(C(C(=O)O)N)SCC(=O)O","InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","","1999-07-08","2024-09-27","S-(carboxymethyl)-L-cysteine",""],["VAI","(2S)-2-amino-3-methylbutane-1,1-diol","C5 H13 N O2","OC(O)C(N)C(C)C;CC(C)[CH](N)C(O)O;CC(C)C(C(O)O)N","InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1","","2011-02-01","2024-09-27","(2S)-2-amino-3-methylbutane-1,1-diol",""],["CCT","5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID","C19 H14 N2 O4 S2","O=C(O)c2sc(cc2NS(=O)(=O)c1ccccc1C)c3ccc(C#N)cc3;Cc1ccccc1[S](=O)(=O)Nc2cc(sc2C(O)=O)c3ccc(cc3)C#N;Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N","InChI=1S/C19H14N2O4S2/c1-12-4-2-3-5-17(12)27(24,25)21-15-10-16(26-18(15)19(22)23)14-8-6-13(11-20)7-9-14/h2-10,21H,1H3,(H,22,23)","","2005-10-06","2011-06-04","5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid",""],["CCU","(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID","C6 H6 O4","O=C(O)C=C/C=CC(=O)O;OC(=O)C=CC=CC(O)=O;C(=CC(=O)O)C=CC(=O)O","InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-","CIS,CIS-MUCONIC ACID","2005-12-09","2020-06-17","(2Z,4Z)-hexa-2,4-dienedioic acid",""],["VAJ","[1,1'-biphenyl]-3,4'-dicarboxylic acid","C14 H10 O4","c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O;OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O;c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O","InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18)","","2020-07-22","2021-11-26","[1,1'-biphenyl]-3,4'-dicarboxylic acid","2021-12-01"],["VAK","methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate","C22 H20 O8","O=C(OC)C4c2c(c(O)c1C(=O)c3c(C(=O)c1c2)cccc3O)C(O)CC4(O)CC;CC[C]1(O)C[CH](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[CH]1C(=O)OC;CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1C(=O)OC)O)O","InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1","Aklavinone","2009-07-31","2020-06-17","methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate",""],["CCV","6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE","C9 H14 N2 O4","O=C1NC(=C(C(=O)N1)C)CC(CO)CO;CC1=C(CC(CO)CO)NC(=O)NC1=O;CC1=C(NC(=O)NC1=O)CC(CO)CO","InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)","6-(DIHYDROXY-ISOBUTYL)-THYMINE","2000-05-25","2020-06-17","6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione",""],["VAL","VALINE","C5 H11 N O2","O=C(O)C(N)C(C)C;CC(C)[CH](N)C(O)=O;CC(C)C(C(=O)O)N","InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1","","1999-07-08","2023-11-03","L-valine",""],["CCW","(S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid","C8 H17 N3 O4 S","O=S(=O)(CC(=N/CCCC(C(=O)O)N)N)C;C[S](=O)(=O)CC(N)=NCCC[CH](N)C(O)=O;CS(=O)(=O)CC(=NCCCC(C(=O)O)N)N","InChI=1S/C8H17N3O4S/c1-16(14,15)5-7(10)11-4-2-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1","","2015-02-02","2015-04-24","(E)-N~5~-[1-amino-2-(methylsulfonyl)ethylidene]-L-ornithine","2015-04-29"],["VAO","2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid","C13 H8 N2 O3","OC(=O)c1ccnc(c1)c2cc(ccc2O)C#N;c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O","InChI=1S/C13H8N2O3/c14-7-8-1-2-12(16)10(5-8)11-6-9(13(17)18)3-4-15-11/h1-6,16H,(H,17,18)","","2015-07-09","2016-01-08","2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid","2016-01-13"],["CCX","3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide","C28 H28 N6 O","N#Cc2c1cccc(c1nc2)C(=O)NC5CCN(CCCCc4c3cc(C#N)ccc3nc4)CC5;O=C(NC1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)c4cccc5c(c[nH]c45)C#N;c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N","InChI=1S/C28H28N6O/c29-15-19-7-8-26-25(14-19)20(17-31-26)4-1-2-11-34-12-9-22(10-13-34)33-28(35)24-6-3-5-23-21(16-30)18-32-27(23)24/h3,5-8,14,17-18,22,31-32H,1-2,4,9-13H2,(H,33,35)","3-Cyano-1H-indole-7-carboxylic acid {1-[4-(5-cyano-1H-indol-3-yl)-butyl]-piperidin-4-yl}-amide","2010-03-04","2021-03-01","3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide",""],["VAP","6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one","C14 H17 N O4","O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2C)C;COc1cc2C(=CC(=O)N(C)c2c(OC)c1OC)C;CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C","InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)12-9(8)7-10(17-3)13(18-4)14(12)19-5/h6-7H,1-5H3","","2010-06-29","2012-01-06","6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one",""],["CCY","2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-HYDROXY-BENZYL)-3-(ETHANOYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE","C14 H19 N3 O4 S","O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)CS;N[CH](CS)[CH]1N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1CC2C(=O)N(C(N2)C(CS)N)CC(=O)O)O","InChI=1S/C14H19N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-4,10-11,13,16,18,22H,5-7,15H2,(H,19,20)/t10-,11-,13-/m0/s1","","1999-07-08","2024-09-27","[(2S,4S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid",""],["VAQ","4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","C34 H42 N6 O3","Oc1cc(CN2CC3(CCC3)[CH]2C4CC4)ccc1C(=O)NC[C]5(O)CCCN(C5)c6cc(NCc7ccccc7)ncn6;c1ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4ccc(cc4O)CN5CC6(C5C7CC7)CCC6)O","InChI=1S/C34H42N6O3/c41-28-16-25(19-40-21-33(12-4-13-33)31(40)26-9-10-26)8-11-27(28)32(42)36-20-34(43)14-5-15-39(22-34)30-17-29(37-23-38-30)35-18-24-6-2-1-3-7-24/h1-3,6-8,11,16-17,23,26,31,41,43H,4-5,9-10,12-15,18-22H2,(H,36,42)(H,35,37,38)/t31-,34+/m0/s1","","2021-05-04","2021-10-15","4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["CCZ","phenyl (4-carbamimidoylbenzyl)phosphonate","C14 H15 N2 O3 P","O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1;c1ccc(cc1)OP(=O)(Cc2ccc(cc2)C(=N)N)O","InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18)","phenyl Benzamidine Phosphonate","2010-07-27","2024-09-27","phenyl hydrogen (R)-(4-carbamimidoylbenzyl)phosphonate",""],["VAR","9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol","C14 H11 N7 O","n1ccc(O)c2c1n4c(c2c3nc(ncc3)N)ccnc4N;Nc1nccc(n1)c2c3ccnc(N)n3c4nccc(O)c24;c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N","InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)","","2007-12-04","2011-06-04","9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol",""],["CD","CADMIUM ION","Cd","[Cd+2];[Cd++];[Cd+2]","InChI=1S/Cd/q+2","","1999-07-08","2011-06-04","cadmium",""],["VAS","(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid","C15 H29 N O3","O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1;CC(C)[CH](C[CH](O)[CH](N)CC1CCCCC1)C(O)=O;CC(C)C(CC(C(CC1CCCCC1)N)O)C(=O)O","InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1","","1999-07-08","2012-01-11","(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid",""],["CD0","2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol","C21 H32 O2","c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O;CCCCCc1cc(O)c([CH]2C[CH](C)CC[CH]2C(C)=C)c(O)c1;CCCCCc1cc(c(c(c1)O)C2CC(CCC2C(=C)C)C)O","InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1","","2018-05-09","2020-11-06","2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol","2020-11-11"],["VAT","4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","C32 H40 N6 O2","O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCCC6)C5)cc4;c1ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O","InChI=1S/C32H40N6O2/c39-30(27-11-9-26(10-12-27)19-37-21-31(22-37)13-4-5-14-31)34-20-32(40)15-6-16-38(23-32)29-17-28(35-24-36-29)33-18-25-7-2-1-3-8-25/h1-3,7-12,17,24,40H,4-6,13-16,18-23H2,(H,34,39)(H,33,35,36)/t32-/m1/s1","","2021-05-04","2021-10-15","4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["CD1","CADMIUM ION, 1 WATER COORDINATED","Cd H2 O","O|[Cd++];[OH2][Cd+2]","InChI=1/Cd.H2O/h;1H2/q+2;/rCdH2O/c1-2/h2H2/q+2","","1999-07-08","2008-10-14","",""],["CD2","1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid","C20 H17 N5 O2","O=C(O)c1cc(nn1CCN)c4ccnc(c2cc3ccccc3nc2)c4;NCCn1nc(cc1C(O)=O)c2ccnc(c2)c3cnc4ccccc4c3;c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O","InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27)","","2011-03-18","2011-06-04","1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid",""],["VAU","(1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid","C8 H14 O6","C[C]1(O)C[C](O)(C[CH](O)[CH]1O)C(O)=O;CC1(CC(CC(C1O)O)(C(=O)O)O)O","InChI=1S/C8H14O6/c1-7(13)3-8(14,6(11)12)2-4(9)5(7)10/h4-5,9-10,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,7-,8-/m1/s1","","2015-03-30","2024-09-27","(1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid","2015-07-15"],["VAV","[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron","C5 H5 B F3 N2 O2","Cn1nc(cc1[B](O)=O)C(F)(F)F;B(=O)(c1cc(nn1C)C(F)(F)F)O","InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3","","2022-08-29","2022-10-28","[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron","2022-11-02"],["CD3","CADMIUM ION, 3 WATERS COORDINATED","Cd H6 O3","O|[Cd++](|O)|O;[OH2][Cd+2]([OH2])[OH2]","InChI=1/Cd.3H2O/h;3*1H2/q+2;;;/rCdH6O3/c2-1(3)4/h2-4H2/q+2","","2002-09-04","2008-10-14","",""],["VAW","(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","C27 H36 N2 O9","O=C(OC)C2=COC(OC1OC(C(O)C(O)C1O)CO)C(C=C)C2CCNCCc4c3ccccc3nc4;COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](C=C)[CH]1CCNCCc3c[nH]c4ccccc34;COC(=O)C1=COC(C(C1CCNCCc2c[nH]c3c2cccc3)C=C)OC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C27H36N2O9/c1-3-16-18(9-11-28-10-8-15-12-29-20-7-5-4-6-17(15)20)19(25(34)35-2)14-36-26(16)38-27-24(33)23(32)22(31)21(13-30)37-27/h3-7,12,14,16,18,21-24,26-33H,1,8-11,13H2,2H3/t16-,18+,21-,22-,23+,24-,26+,27+/m1/s1","methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-{[2-(1H-indol-3-yl)ethyl]amino}ethyl)-3,4-dihydro-2H-pyran-5-carboxylate","2007-09-04","2021-03-13","methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-{[2-(1H-indol-3-yl)ethyl]amino}ethyl)-3,4-dihydro-2H-pyran-5-carboxylate",""],["CD4","(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate","C65 H126 O17 P2","O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC","InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1","tetramyristoyl-cardiolipin","2009-02-11","2021-03-01","(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name)",""],["VAY","{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate","C22 H24 Br N5 O7 S2","C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4cc(C(C)(c3cccc(n3)Br)O)cs4)=O)O)O;C[C](O)(c1csc(c1)C(=O)c2cncnc2N[CH]3C[CH](CO[S](N)(=O)=O)[CH](O)[CH]3O)c4cccc(Br)n4;CC(c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3NC4CC(C(C4O)O)COS(=O)(=O)N)O","InChI=1S/C22H24BrN5O7S2/c1-22(32,16-3-2-4-17(23)28-16)12-6-15(36-9-12)19(30)13-7-25-10-26-21(13)27-14-5-11(18(29)20(14)31)8-35-37(24,33)34/h2-4,6-7,9-11,14,18,20,29,31-32H,5,8H2,1H3,(H2,24,33,34)(H,25,26,27)/t11-,14-,18-,20+,22+/m1/s1","","2020-07-22","2024-09-27","{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate","2021-03-10"],["CD5","CADMIUM ION, 5 WATERS COORDINATED","Cd H10 O5","O|[Cd++](|O)(|O)(|O)|O;[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2]","InChI=1/Cd.5H2O/h;5*1H2/q+2;;;;;/rCdH10O5/c2-1(3,4,5)6/h2-6H2/q+2","","2002-09-03","2008-10-14","",""],["VAZ","N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine","C13 H22 N2 O9 S2","O=C(OC(C(=O)O)C(O)SC)C(NC(=O)CCCC(C(=O)O)N)CS=O;CS[CH](O)[CH](OC(=O)[CH](C[SH]=O)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CSC(C(C(=O)O)OC(=O)C(CS=O)NC(=O)CCCC(C(=O)O)N)O","InChI=1S/C13H22N2O9S2/c1-25-13(22)9(11(19)20)24-12(21)7(5-26-23)15-8(16)4-2-3-6(14)10(17)18/h6-7,9,13,22,26H,2-5,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t6-,7-,9-,13-/m0/s1","(S)-2-amino-6-((R)-1-((1S,2S)-1-carboxy-2-hydroxy-2-(methylthio)ethoxy)-3-hydrosulfinyl-1-oxopropan-2-ylamino)-6-oxohexanoic acid","2007-09-07","2021-03-13","N~6~-{(1R)-2-{[(1S,2S)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine",""],["CD6","(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H16 N2 O4 S","O=CC(NC(=O)Cc1ccccc1)C2N=C(C(=O)O)C(=C)CS2;OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2ccccc2)C=O;C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2ccccc2","InChI=1S/C16H16N2O4S/c1-10-9-23-15(18-14(10)16(21)22)12(8-19)17-13(20)7-11-5-3-2-4-6-11/h2-6,8,12,15H,1,7,9H2,(H,17,20)(H,21,22)/t12-,15-/m1/s1","","2012-01-19","2024-09-27","(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2012-09-14"],["VB0","5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine","C15 H13 F N4","Nc1nc(N)c(C#CC2CC2)c(n1)c3ccccc3F;c1ccc(c(c1)c2c(c(nc(n2)N)N)C#CC3CC3)F","InChI=1S/C15H13FN4/c16-12-4-2-1-3-10(12)13-11(8-7-9-5-6-9)14(17)20-15(18)19-13/h1-4,9H,5-6H2,(H4,17,18,19,20)","","2023-03-01","2024-03-08","5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine","2024-03-13"],["CD7","(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide","C12 H19 N5 O7 S","O=CN1C(CCC(/C1)=N)C(NNC(=O)C2CCN(OS(=O)(=O)O)C2)=O;O[S](=O)(=O)ON1CC[CH](C1)C(=O)NNC(=O)[CH]2CCC(=N)CN2C=O;C1CC(=N)CN(C1C(=O)NNC(=O)C2CCN(C2)OS(=O)(=O)O)C=O","InChI=1S/C12H19N5O7S/c13-9-1-2-10(16(6-9)7-18)12(20)15-14-11(19)8-3-4-17(5-8)24-25(21,22)23/h7-8,10,13H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/b13-9-/t8-,10+/m1/s1","open form - WCK 5153","2017-09-20","2024-09-27","(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide","2018-08-01"],["VB1","N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine","C13 H23 N3 O6 S","O=C(NC(C(=O)O)CC)C(NC(=O)CCCC(C(=O)O)N)CS;CC[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CCC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C13H23N3O6S/c1-2-8(13(21)22)16-11(18)9(6-23)15-10(17)5-3-4-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8-,9-/m0/s1","","2007-09-14","2011-06-04","N~6~-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine",""],["CD8","(2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H16 N2 O5 S","O=CC(OC)(NC(=O)c1ccccc1)C2N=C(C(=O)O)C(=C)CS2;CO[C](NC(=O)c1ccccc1)(C=O)[CH]2SCC(=C)C(=N2)C(O)=O;COC(C=O)(C1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2","InChI=1S/C16H16N2O5S/c1-10-8-24-15(17-12(10)14(21)22)16(9-19,23-2)18-13(20)11-6-4-3-5-7-11/h3-7,9,15H,1,8H2,2H3,(H,18,20)(H,21,22)/t15-,16+/m1/s1","","2012-01-12","2024-09-27","(2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2012-09-14"],["VB2","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","C26 H38 N6 O3","CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3O)C2;CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NC)O)C","InChI=1S/C26H38N6O3/c1-25(2)8-11-31(12-9-25)15-19-5-6-20(21(33)13-19)24(34)28-16-26(35)7-4-10-32(17-26)23-14-22(27-3)29-18-30-23/h5-6,13-14,18,33,35H,4,7-12,15-17H2,1-3H3,(H,28,34)(H,27,29,30)/t26-/m0/s1","","2021-05-04","2021-10-15","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","2021-10-20"],["CD9","5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid","C17 H12 Cl N O5","Clc1ccc2c(c1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O;OC(=O)c1c(CN2C(=O)Cc3ccc(Cl)cc23)ccc4OCOc14;c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C17H12ClNO5/c18-11-3-1-9-5-14(20)19(12(9)6-11)7-10-2-4-13-16(24-8-23-13)15(10)17(21)22/h1-4,6H,5,7-8H2,(H,21,22)","","2010-07-05","2011-06-04","5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid",""],["CDA","2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE","C20 H19 F3 N6 O2","Fc1cccnc1CNC(=O)CN3C(=CN=C(NCC(F)(F)c2ncccc2)C3=O)C;CC1=CN=C(NCC(F)(F)c2ccccn2)C(=O)N1CC(=O)NCc3ncccc3F;CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F","InChI=1S/C20H19F3N6O2/c1-13-9-27-18(28-12-20(22,23)16-6-2-3-7-25-16)19(31)29(13)11-17(30)26-10-15-14(21)5-4-8-24-15/h2-9H,10-12H2,1H3,(H,26,30)(H,27,28)","","2002-10-01","2011-06-04","2-{3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}-N-[(3-fluoropyridin-2-yl)methyl]acetamide",""],["VB3","2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol","C16 H25 N O","CC(NCc1ccccc1O)CC2CCCCC2;C[CH](CC1CCCCC1)NCc2ccccc2O;CC(CC1CCCCC1)NCc2ccccc2O","InChI=1S/C16H25NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3/t13-/m0/s1","","2019-05-17","2020-11-13","2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol","2020-11-18"],["VB4","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan","C19 H20 N3 O7 P","n1cc(c(c(c1C)O)[C@H]=NC(C(O)=O)Cc3c2ccccc2nc3)COP(O)(=O)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](Cc2c[nH]c3ccccc23)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(Cc2c[nH]c3c2cccc3)C(=O)O)O","InChI=1S/C19H20N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-9,17,21,23H,6,10H2,1H3,(H,24,25)(H2,26,27,28)/b22-9+/t17-/m1/s1","","2020-07-22","2021-01-29","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan","2021-02-03"],["CDB","2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE","C21 H23 F3 N6 O2","O=C(NCc1nccc(c1F)C)CN2C(=C[NH+]=C(C2=O)NCC(F)(F)c3[nH+]cccc3)C;CC1=C[NH+]=C(NCC(F)(F)c2cccc[nH+]2)C(=O)N1CC(=O)NCc3nccc(C)c3F;Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C","InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)/p+2","","2002-10-02","2011-06-04","2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium",""],["VB5","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","C26 H38 N6 O3","CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3O)C2;CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NC)O)C","InChI=1S/C26H38N6O3/c1-25(2)8-11-31(12-9-25)15-19-5-6-20(21(33)13-19)24(34)28-16-26(35)7-4-10-32(17-26)23-14-22(27-3)29-18-30-23/h5-6,13-14,18,33,35H,4,7-12,15-17H2,1-3H3,(H,28,34)(H,27,29,30)/t26-/m1/s1","","2021-05-04","2021-10-15","4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide","2021-10-20"],["CDC","[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM","C14 H26 N4 O11 P2","[O-]P(=O)(OCC[N+](C)(C)C)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;C[N+](C)(C)CCO[P]([O-])(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O","InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1","","2001-09-25","2011-06-04","5'-O-[(S)-hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine",""],["VB6","Zosurabalpin","C43 H50 N8 O5 S","O=C(O)c1ccc(cc1)c1cccc2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12;CN1[CH](Cc2c[nH]c3ccccc23)C(=O)NCc4c(Sc5ncccc5CN[CH](CCCN)C(=O)N[CH](CCCCN)C1=O)cccc4c6ccc(cc6)C(O)=O;CN1C(C(=O)NCc2c(cccc2Sc3c(cccn3)CNC(C(=O)NC(C1=O)CCCCN)CCCN)c4ccc(cc4)C(=O)O)Cc5c[nH]c6c5cccc6","InChI=1S/C43H50N8O5S/c1-51-37(23-30-25-47-34-12-3-2-10-32(30)34)40(53)49-26-33-31(27-16-18-28(19-17-27)43(55)56)11-6-15-38(33)57-41-29(9-8-22-46-41)24-48-35(14-7-21-45)39(52)50-36(42(51)54)13-4-5-20-44/h2-3,6,8-12,15-19,22,25,35-37,47-48H,4-5,7,13-14,20-21,23-24,26,44-45H2,1H3,(H,49,53)(H,50,52)(H,55,56)/t35-,36-,37-/m0/s1","4-{(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1H-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic acid","2023-01-09","2023-12-29","4-{(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1H-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic acid","2024-01-03"],["CDD","2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE","C20 H17 Cl F3 N5 O3","Fc1ccccc1CNC(=O)CN3C(Cl)=CN=C(NCC(F)(F)c2[n+]([O-])cccc2)C3=O;[O-][n+]1ccccc1C(F)(F)CNC2=NC=C(Cl)N(CC(=O)NCc3ccccc3F)C2=O;c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F","InChI=1S/C20H17ClF3N5O3/c21-16-10-26-18(27-12-20(23,24)15-7-3-4-8-29(15)32)19(31)28(16)11-17(30)25-9-13-5-1-2-6-14(13)22/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)","","2002-10-02","2011-06-04","2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-(2-fluorobenzyl)acetamide",""],["VB7","{(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate","C24 H26 N4 O6 S2","c4ncc(C(c3cc(C2c1ccccc1CCO2)cs3)=O)c(n4)NC5CC(C(C5)O)COS(=O)(N)=O;N[S](=O)(=O)OC[CH]1C[CH](C[CH]1O)Nc2ncncc2C(=O)c3scc(c3)[CH]4OCCc5ccccc45;c1ccc2c(c1)CCOC2c3cc(sc3)C(=O)c4cncnc4NC5CC(C(C5)O)COS(=O)(=O)N","InChI=1S/C24H26N4O6S2/c25-36(31,32)34-11-15-7-17(9-20(15)29)28-24-19(10-26-13-27-24)22(30)21-8-16(12-35-21)23-18-4-2-1-3-14(18)5-6-33-23/h1-4,8,10,12-13,15,17,20,23,29H,5-7,9,11H2,(H2,25,31,32)(H,26,27,28)/t15-,17-,20+,23+/m1/s1","","2020-07-22","2024-09-27","{(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate","2021-03-24"],["CDE","1,2-DIMETHYL-PROPYLAMINE","C5 H13 N","NC(C)C(C)C;CC(C)[CH](C)N;CC(C)C(C)N","InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1","","1999-07-08","2024-09-27","(2R)-3-methylbutan-2-amine",""],["VB8","4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","C33 H44 N6 O2 S","CSc1cc(CN2CCC(C)(C)CC2)ccc1C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4;CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C","InChI=1S/C33H44N6O2S/c1-32(2)13-16-38(17-14-32)21-26-10-11-27(28(18-26)42-3)31(40)35-22-33(41)12-7-15-39(23-33)30-19-29(36-24-37-30)34-20-25-8-5-4-6-9-25/h4-6,8-11,18-19,24,41H,7,12-17,20-23H2,1-3H3,(H,35,40)(H,34,36,37)/t33-/m1/s1","","2021-05-04","2021-10-15","4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide","2021-10-20"],["CDF","4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE","C9 H15 N3 O11 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m1/s1","","2008-04-23","2011-06-04","4-amino-1-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-arabinofuranosyl}pyrimidin-2(1H)-one",""],["VB9","3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one","C10 H13 N3 O S2","CN(C)CCN1C(=O)c2sccc2NC1=S;CN(C)CCN1C(=S)Nc2ccsc2C1=O;CN(C)CCN1C(=O)c2c(ccs2)NC1=S","InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15)","","2022-08-29","2022-10-28","3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one","2022-11-02"],["CDG","METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE","C10 H16 O8","O=C(O)C1(OCC2OC(OC)C(O)C(O)C2O1)C;CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1O)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)OC)O)O)C(=O)O","InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1","","2002-04-25","2011-06-04","methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside",""],["V","VANADIUM ION","V","[V+3];[V+3];[V+3]","InChI=1S/V/q+3","","1999-09-12","2011-06-04","vanadium(3+)",""],["CDH","D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE","C14 H23 N3 O6 S","O=C(NC(C(=C)C)C(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS;CC(=C)[CH](NC(=O)[CH](CS)NC(=O)CCCC(N)C(O)=O)C(O)=O;CC(=C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h8-9,11,24H,1,3-6,15H2,2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8?,9?,11-/m1/s1","","2004-03-17","2011-06-04","N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylprop-2-en-1-yl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxolysine",""],["VBA","[(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate","C21 H24 N6 O6 S","C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4ccn(Cc3ccccc3)n4)=O)O)O;N[S](=O)(=O)OC[CH]1C[CH](Nc2ncncc2C(=O)c3ccn(Cc4ccccc4)n3)[CH](O)[CH]1O;c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3NC4CC(C(C4O)O)COS(=O)(=O)N","InChI=1S/C21H24N6O6S/c22-34(31,32)33-11-14-8-17(20(30)18(14)28)25-21-15(9-23-12-24-21)19(29)16-6-7-27(26-16)10-13-4-2-1-3-5-13/h1-7,9,12,14,17-18,20,28,30H,8,10-11H2,(H2,22,31,32)(H,23,24,25)/t14-,17-,18-,20+/m1/s1","","2020-07-22","2024-09-27","[(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate","2021-03-24"],["CDI","2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE","C5 H12 O9 P2","O=P1(OP(=O)(OCC(O)C(O1)(C)CO)O)O;C[C]1(CO)O[P](O)(=O)O[P](O)(=O)OC[CH]1O;CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO","InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1","","2001-09-18","2011-06-04","(2R,4S,6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide",""],["VBB","2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate","C20 H23 Cl N6 O2","CN(C)CCOC(=O)c1n(C)nc(c1Cc2ccccc2)c3cc(Cl)nc(N)n3;Cn1c(c(c(n1)c2cc(nc(n2)N)Cl)Cc3ccccc3)C(=O)OCCN(C)C","InChI=1S/C20H23ClN6O2/c1-26(2)9-10-29-19(28)18-14(11-13-7-5-4-6-8-13)17(25-27(18)3)15-12-16(21)24-20(22)23-15/h4-8,12H,9-11H2,1-3H3,(H2,22,23,24)","","2023-03-01","2023-04-21","2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate","2023-04-26"],["CDJ","5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one","C15 H11 Cl N2 O","Clc3ccc(C2=Cc1c(cccc1N)C(=O)N2)cc3;Nc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3;c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl","InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19)","","2014-08-07","2015-07-24","5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one","2015-07-29"],["VBC","3-(4-aminophenyl)benzoic acid","C13 H11 N O2","Nc1ccc(cc1)c2cccc(c2)C(O)=O;c1cc(cc(c1)C(=O)O)c2ccc(cc2)N","InChI=1S/C13H11NO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,14H2,(H,15,16)","","2017-07-27","2018-01-05","3-(4-aminophenyl)benzoic acid","2018-01-10"],["CDK","4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE","C18 H21 N5 O4 S2","O=C3SC(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)NCCOC)=C(N3C)C;COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)C3=C(C)N(C)C(=O)S3)cc1;CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC","InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)","","2010-07-29","2011-06-04","4-{[4-(3,4-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}-N-(2-methoxyethyl)benzenesulfonamide",""],["VBD","(7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","C20 H19 F2 N5 O2","c4(c(c(F)cc(Nc1ncc2c(n1)N(C(C(N2CC#C)=O)C)CC3CC3)c4)O)F;C[CH]1N(CC2CC2)c3nc(Nc4cc(F)c(O)c(F)c4)ncc3N(CC#C)C1=O;CC1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C","InChI=1S/C20H19F2N5O2/c1-3-6-26-16-9-23-20(24-13-7-14(21)17(28)15(22)8-13)25-18(16)27(10-12-4-5-12)11(2)19(26)29/h1,7-9,11-12,28H,4-6,10H2,2H3,(H,23,24,25)/t11-/m0/s1","","2020-07-22","2021-02-26","(7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one","2021-03-03"],["CDL","CARDIOLIPIN","C81 H156 O17 P2","CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1","DIPHOSPHATIDYL GLYCEROL; BIS-(1,2-DIACYL-SN-GLYCERO-3-PHOSPHO)-1',3'-SN-GLYCEROL","1999-11-19","2021-05-11","[3-[[(2~{R})-2,3-di(octadecanoyloxy)propoxy]-oxidanidyl-phosphoryl]oxy-2-oxidanyl-propyl] [(2~{R})-2,3-di(octadecanoyloxy)propyl] phosphate",""],["VBE","1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide","C20 H25 N3 O3","CNC(=O)CN(C[CH](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C;CC1=CC(=CN(C1=O)C)C(=O)N(CC(C)c2ccccc2)CC(=O)NC","InChI=1S/C20H25N3O3/c1-14-10-17(12-22(4)19(14)25)20(26)23(13-18(24)21-3)11-15(2)16-8-6-5-7-9-16/h5-10,12,15H,11,13H2,1-4H3,(H,21,24)/t15-/m1/s1","1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide","2021-05-04","2021-07-16","1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenylpropyl]pyridine-3-carboxamide","2021-07-21"],["CDM","4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL","C14 H25 N3 O14 P2","O=P(O)(OCC(O)C(O)(C)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;C[C](O)(CO)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N;CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)O","InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1","","2001-05-22","2011-06-04","5'-O-[(R)-hydroxy{[(S)-hydroxy{[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl]oxy}phosphoryl]oxy}phosphoryl]cytidine",""],["VBF","3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile","C26 H24 N6 O2","Cc1c(cccc1c2cc(nc(N)n2)C3=CC(=O)N(Cc4cccc(n4)C(C)(C)O)C=C3)C#N;Cc1c(cccc1c2cc(nc(n2)N)C3=CC(=O)N(C=C3)Cc4cccc(n4)C(C)(C)O)C#N","InChI=1S/C26H24N6O2/c1-16-18(14-27)6-4-8-20(16)22-13-21(30-25(28)31-22)17-10-11-32(24(33)12-17)15-19-7-5-9-23(29-19)26(2,3)34/h4-13,34H,15H2,1-3H3,(H2,28,30,31)","","2023-07-14","2023-08-11","3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile","2023-08-16"],["CDN","CARDIOLIPIN","C58 H120 O17 P2","O=P(O)(OCC(OC(O)CCCCCCCCCCCCCC)COC(O)CCCCC)OCC(O)COP(=O)(OCC(OC(O)CCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCC)O;CCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)CCCCC)CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](CO[CH](O)CCCCCCCCCCCC)O[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(O)OC(COC(CCCCC)O)COP(=O)(O)OCC(COP(=O)(O)OCC(COC(CCCCCCCCCCCC)O)OC(CCCCCCCCCCCCCC)O)O","InChI=1S/C58H120O17P2/c1-5-9-13-16-19-22-25-27-30-33-36-40-44-57(62)74-53(48-68-55(60)42-38-12-8-4)50-72-76(64,65)70-46-52(59)47-71-77(66,67)73-51-54(49-69-56(61)43-39-35-32-29-24-21-18-15-11-7-3)75-58(63)45-41-37-34-31-28-26-23-20-17-14-10-6-2/h52-63H,5-51H2,1-4H3,(H,64,65)(H,66,67)/t52-,53+,54+,55?,56?,57?,58-/m0/s1","","2003-01-20","2011-06-04","(2R)-3-{[(1S)-1-hydroxyhexyl]oxy}-2-{[(1R)-1-hydroxypentadecyl]oxy}propyl (5R,8R,10S)-2,5,10-trihydroxy-8-({[(1S)-1-hydroxytridecyl]oxy}methyl)-5-oxido-4,6,9-trioxa-5-phosphatetracos-1-yl hydrogen (S)-phosphate (non-preferred name)",""],["VBG","2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile","C34 H30 F8 N4 O5 S","O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C;CC(=O)N1CCN(CC1)C(=O)N2CC[C](C2)(c3ccc(cc3)C(OCc4c(F)cccc4C#N)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5;CC(=O)N1CCN(CC1)C(=O)N2CCC(C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F","InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1","","2020-07-22","2020-08-07","2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile","2020-08-12"],["CDO","2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID","C23 H32 N6 O4","O=C(NCc1ccc(nc1)C(=[N@H])N)C3C=CCN3C(=O)C(NCC(=O)O)CC2CCCCC2;NC(=N)c1ccc(CNC(=O)[CH]2C=CCN2C(=O)[CH](CC3CCCCC3)NCC(O)=O)cn1;[H]N=C(c1ccc(cn1)CNC(=O)C2C=CCN2C(=O)C(CC3CCCCC3)NCC(=O)O)N","InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1","","2005-08-23","2011-06-04","N-[(1R)-2-[(2S)-2-{[(6-carbamimidoylpyridin-3-yl)methyl]carbamoyl}-2,5-dihydro-1H-pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxoethyl]glycine",""],["CDP","CYTIDINE-5'-DIPHOSPHATE","C9 H15 N3 O11 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-15","2011-06-04","cytidine 5'-(trihydrogen diphosphate)",""],["VBH","N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide","C25 H27 N3 O3","CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)C3=CN(C)C(=O)C(=C3)C;CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC","InChI=1S/C25H27N3O3/c1-18-14-21(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,16-17H2,1-3H3,(H,26,29)","N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","2021-05-04","2021-07-16","~{N}-(2,2-diphenylethyl)-1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide","2021-07-21"],["CDQ","6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C18 H14 Cl N O5","O=C(O)c2c(ccc1OCCOc12)CN4c3ccc(Cl)cc3CC4=O;OC(=O)c1c(CN2C(=O)Cc3cc(Cl)ccc23)ccc4OCCOc14;c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4","InChI=1S/C18H14ClNO5/c19-12-2-3-13-11(7-12)8-15(21)20(13)9-10-1-4-14-17(16(10)18(22)23)25-6-5-24-14/h1-4,7H,5-6,8-9H2,(H,22,23)","","2010-07-05","2011-06-04","6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",""],["VBI","N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide","C10 H13 Cl N2 O3 S","Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O;CNC(=O)CN(c1cccc(Cl)c1)[S](C)(=O)=O;CNC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)C","InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)","","2022-08-29","2022-10-28","N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide","2022-11-02"],["VBJ","~{N}-[3-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide","C16 H17 N5 O2 S","C[S](=O)(=O)Nc1cccc(c1)c2nc(N)nc(N)c2C#CC3CC3;CS(=O)(=O)Nc1cccc(c1)c2c(c(nc(n2)N)N)C#CC3CC3","InChI=1S/C16H17N5O2S/c1-24(22,23)21-12-4-2-3-11(9-12)14-13(8-7-10-5-6-10)15(17)20-16(18)19-14/h2-4,9-10,21H,5-6H2,1H3,(H4,17,18,19,20)","","2023-03-01","2024-03-08","~{N}-[3-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide","2024-03-13"],["CDR","(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol","C6 H12 O3","OC1C(OC(O)CC1)C;C[CH]1O[CH](O)CC[CH]1O;CC1C(CCC(O1)O)O","InChI=1S/C6H12O3/c1-4-5(7)2-3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1","2,3-DIDEOXYFUCOSE","1999-07-08","2020-07-17","(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol",""],["VBK","[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine","C8 H11 N O S","NC[CH]1OCCc2sccc12;c1csc2c1C(OCC2)CN","InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1","4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine; 6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethanamine; 12225896","2021-05-05","2022-10-28","[(4~{S})-6,7-dihydro-4~{H}-thieno[3,2-c]pyran-4-yl]methanamine","2022-11-02"],["CDS","(2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID","C19 H20 N6 O5 S3","O=CC(NC(=O)/C(=NOC)c1nc(sc1)N)C2SCC(=C(N2)C(=O)O)/C=Cc3scnc3C;CON=C(C(=O)N[CH](C=O)[CH]1NC(=C(CS1)C=Cc2scnc2C)C(O)=O)c3csc(N)n3;Cc1c(scn1)C=CC2=C(NC(SC2)C(C=O)NC(=O)C(=NOC)c3csc(n3)N)C(=O)O","InChI=1S/C19H20N6O5S3/c1-9-13(33-8-21-9)4-3-10-6-31-17(24-14(10)18(28)29)11(5-26)22-16(27)15(25-30-2)12-7-32-19(20)23-12/h3-5,7-8,11,17,24H,6H2,1-2H3,(H2,20,23)(H,22,27)(H,28,29)/b4-3-,25-15-/t11-,17-/m1/s1","","2007-05-29","2024-09-27","(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["VBL","(2~{S},3~{R})-2-pentyloctane-1,3-diol","C13 H28 O2","CCCCC[CH](O)[CH](CO)CCCCC;CCCCCC(CO)C(CCCCC)O","InChI=1S/C13H28O2/c1-3-5-7-9-12(11-14)13(15)10-8-6-4-2/h12-15H,3-11H2,1-2H3/t12-,13+/m0/s1","","2023-09-11","2025-02-07","(2~{S},3~{R})-2-pentyloctane-1,3-diol","2025-02-12"],["CDT","4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID","C6 H12 N2 O3 S","O=C(NC(C(=O)O)CCSC)N;CSCC[CH](NC(N)=O)C(O)=O;CSCCC(C(=O)O)NC(=O)N","InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1","N-CARBAMYL-D-METHIONINE","2003-05-28","2021-03-01","N-carbamoyl-D-methionine",""],["VBM","METHYL {(7R)-6-CYANO-7-(4-CYANOPHENYL)-5-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-4,7-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL}CARBAMATE","C23 H16 F3 N7 O2","COC(=O)N=C1NN2[CH](c3ccc(cc3)C#N)C(=C(C)N(c4cccc(c4)C(F)(F)F)C2=N1)C#N;CC1=C(C(N2C(=NC(=NC(=O)OC)N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N","InChI=1S/C23H16F3N7O2/c1-13-18(12-28)19(15-8-6-14(11-27)7-9-15)33-21(29-20(31-33)30-22(34)35-2)32(13)17-5-3-4-16(10-17)23(24,25)26/h3-10,19H,1-2H3,(H,30,31,34)/t19-/m1/s1","","2015-07-17","2016-07-29","methyl (NZ)-N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylidene]carbamate","2016-08-03"],["CDU","N-CYCLOHEXYL-N'-DECYLUREA","C17 H34 N2 O","O=C(NC1CCCCC1)NCCCCCCCCCC;CCCCCCCCCCNC(=O)NC1CCCCC1;CCCCCCCCCCNC(=O)NC1CCCCC1","InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)","","2000-03-21","2011-06-04","1-cyclohexyl-3-decylurea",""],["VBN","(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met\nhyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide","C35 H39 N5 O11","O=C(N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)C2N=C(OC2C)c3cccc(O)c3O)C4N=C(OC4C)c5cccc(O)c5O;C[CH]1OC(=N[CH]1C(=O)NCCCN(CCCNC(=O)c2cccc(O)c2O)C(=O)[CH]3N=C(O[CH]3C)c4cccc(O)c4O)c5cccc(O)c5O;CC1C(N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)C4C(OC(=N4)c5cccc(c5O)O)C","InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19-,26+,27+/m1/s1","vibriobactin","2011-04-06","2020-06-17","(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide",""],["CDV","3-METHYL-2-UREIDO-BUTYRIC ACID","C6 H12 N2 O3","O=C(O)C(NC(=O)N)C(C)C;CC(C)[CH](NC(N)=O)C(O)=O;CC(C)C(C(=O)O)NC(=O)N","InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1","N-CARBAMYL-D-VALINE","2003-05-29","2021-03-01","N-carbamoyl-D-valine",""],["VBO","methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate","C8 H10 N2 O4","O=C(CCN1C=CC(=O)NC1=O)OC;COC(=O)CCN1C=CC(=O)NC1=O;COC(=O)CCN1C=CC(=O)NC1=O","InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13)","","2022-08-29","2022-10-28","methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate","2022-11-02"],["CDW","(4R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-1,3-DIAZABICYCLO[2.2.0]HEX-5-EN-2-ONE","C9 H13 N2 O7 P","O=C2N1C=CC1N2C3OC(C(O)C3)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2[CH]3C=CN3C2=O;C1C(C(OC1N2C3C=CN3C2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O7P/c12-5-3-8(11-7-1-2-10(7)9(11)13)18-6(5)4-17-19(14,15)16/h1-2,5-8,12H,3-4H2,(H2,14,15,16)/t5-,6+,7+,8+/m0/s1","","2009-08-14","2011-06-04","(4R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one",""],["VBP","4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid","C15 H15 N3 O6","O=C(O)c1ccc(cc1)CN2C(=O)C=CN(C2=O)CC(N)C(=O)O;N[CH](CN1C=CC(=O)N(Cc2ccc(cc2)C(O)=O)C1=O)C(O)=O;c1cc(ccc1CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O","InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m1/s1","(S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)pyrimidine-2,4-dione","2009-04-09","2020-06-17","4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid",""],["CDX","(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE","C11 H16 N4 O4","O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2;C[CH](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2;CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1","ICRF-187","2003-07-25","2020-06-17","4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione",""],["VBQ","2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid","C16 H11 N O4","OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12;c1ccc2c(c1)-c3c(cccc3C(=O)NCC(=O)O)C2=O","InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19)","","2021-05-05","2022-10-28","2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid","2022-11-02"],["CDY","2-CHLORODIDEOXYADENOSINE","C10 H12 Cl N5 O2","Clc1nc(c2ncn(c2n1)C3OC(CC3)CO)N;Nc1nc(Cl)nc2n(cnc12)[CH]3CC[CH](CO)O3;c1nc2c(nc(nc2n1C3CCC(O3)CO)Cl)N","InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1","","2003-09-11","2011-06-04","[(2S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-2-yl]methanol",""],["VBR","6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid","C10 H8 Cl N O2","Cc1[nH]c2cc(Cl)c(cc2c1)C(O)=O;Cc1cc2cc(c(cc2[nH]1)Cl)C(=O)O","InChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14)","","2023-03-01","2024-01-05","6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid","2024-01-10"],["CDZ","3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one","C25 H36 O4","O=C(C1=C(O)C(=C(O)C(C1=O)(CC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(C)C;CC(C)C(=O)C1=C(O)C(=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O)CC=C(C)C;CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O","InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3","","2007-12-03","2011-06-04","3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one",""],["VBS","(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one","C28 H25 N7 O","c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O;CCn1c(nc2c1ncnc2c3ccc4NC(=O)[C](C)(Cc5ccccc5)c4c3)c6cnc(C)nc6;CCn1c2c(c(ncn2)c3ccc4c(c3)C(C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C","InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1","","2020-07-24","2020-12-25","(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one","2020-12-30"],["CE","CERIUM (III) ION","Ce","[Ce+3];[Ce+3];[Ce+3]","InChI=1S/Ce/q+3","","1999-07-08","2011-06-04","cerium(3+)",""],["VBT","2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid","C6 H2 Cl2 F N O2","OC(=O)c1cc(F)c(Cl)nc1Cl;c1c(c(nc(c1F)Cl)Cl)C(=O)O","InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)","","2021-05-05","2022-10-28","2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid","2022-11-02"],["CE0","(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C17 H26 N6 O8 S2","O=C(O)C(N)COC(=O)C(NC(=O)C(NOC)C1N=C(SC1)N)C2SCC(=C(N2)C(=O)O)C;CON[CH]([CH]1CSC(=N1)N)C(=O)N[CH]([CH]2NC(=C(C)CS2)C(O)=O)C(=O)OC[CH](N)C(O)=O;CC1=C(NC(SC1)C(C(=O)OCC(C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O","InChI=1S/C17H26N6O8S2/c1-6-4-32-13(22-9(6)15(27)28)11(16(29)31-3-7(18)14(25)26)21-12(24)10(23-30-2)8-5-33-17(19)20-8/h7-8,10-11,13,22-23H,3-5,18H2,1-2H3,(H2,19,20)(H,21,24)(H,25,26)(H,27,28)/t7-,8+,10+,11-,13+/m0/s1","","2008-03-27","2011-06-04","(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["CE1","O-DODECANYL OCTAETHYLENE GLYCOL","C28 H58 O9","O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO;CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO;CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3","THESIT","1999-07-08","2020-06-17","3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol",""],["VBU","Clozapine","C18 H19 Cl N4","CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24;CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl","InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3","3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine","2023-07-14","2024-11-12","3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine","2024-03-20"],["VBV","[1,1'-biphenyl]-4,4'-disulfonic acid","C12 H10 O6 S2","O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O;O[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)[S](O)(=O)=O;c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)","","2020-07-24","2021-12-10","[1,1'-biphenyl]-4,4'-disulfonic acid","2021-12-15"],["CE2","3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE","C10 H15 N2 O4","[O-]c1noc(c1CC(C([O-])=O)[NH3+])C(C)(C)C;CC(C)(C)c1onc([O-])c1C[CH]([NH3+])C([O-])=O;CC(C)(C)c1c(c(no1)[O-])CC(C(=O)[O-])[NH3+]","InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1","(S)-ATPA; (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYL-ISOXAZOL-4-YL)PROPIONIC ACID","2003-01-24","2020-05-27","(2S)-2-ammonio-3-(5-tert-butyl-3-oxidoisoxazol-4-yl)propanoate",""],["VBW","6-fluoranyl-2-methyl-quinolin-4-ol","C10 H8 F N O","Cc1cc(O)c2cc(F)ccc2n1;Cc1cc(c2cc(ccc2n1)F)O","InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)","","2021-05-05","2022-10-28","6-fluoranyl-2-methyl-quinolin-4-ol","2022-11-02"],["CE3","(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy\nclo[4.2.0]oct-2-ene-2-carboxylic acid","C16 H17 N5 O7 S2","O=C(O)C=2N3C(=O)C(NC(=O)C(=NOC)/c1nc(sc1)N)C3SCC=2COC(=O)C;CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)COC(C)=O)c3csc(N)n3;CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)c3csc(n3)N)SC1)C(=O)O","InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1","CEFOTAXIME","2005-12-07","2020-06-17","(6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["VBX","N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide","C11 H15 N3 O2","CNC(=O)c1ccccc1NCC(=O)NC;CNC(=O)CNc1ccccc1C(=O)NC;CNC(=O)CNc1ccccc1C(=O)NC","InChI=1S/C11H15N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)11(16)13-2/h3-6,14H,7H2,1-2H3,(H,12,15)(H,13,16)","","2022-08-29","2022-10-28","N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide","2022-11-02"],["CE4","(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro\n-2H-1,3-thiazine-4-carboxylic acid","C14 H15 N5 O6 S2","C=C2/C(C(O)=O)=NC(C(C(O)=O)NC(/C(c1csc(n1)N)=NOC)=O)SC2;CON=C(C(=O)N[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(C2N=C(C(=C)CS2)C(=O)O)C(=O)O","InChI=1S/C14H15N5O6S2/c1-5-3-26-11(18-7(5)12(21)22)9(13(23)24)17-10(20)8(19-25-2)6-4-27-14(15)16-6/h4,9,11H,1,3H2,2H3,(H2,15,16)(H,17,20)(H,21,22)(H,23,24)/b19-8-/t9-,11+/m0/s1","cefotaxime, hydrolyzed, C3'-cleaved, open, unbound form","2017-01-20","2020-06-17","(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2017-04-26"],["VBY","5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","C23 H22 N2 O2","C(c1c(ccc(c1)NC(C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O;C[CH](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23;Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)C=C","InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1","","2020-07-24","2020-07-31","5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide","2020-08-05"],["CE5","CELLOPENTAOSE","C30 H52 O26","O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O)O[CH]5CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)O)CO)CO)CO)CO)O)O)O)O","InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+/m1/s1","","2007-03-02","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["VBZ","(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol","C15 H21 N O4","OCC2CC3N(Cc1ccccc1)CC2(O)C(O)C3O;OC[CH]1C[CH]2[CH](O)[CH](O)[C]1(O)CN2Cc3ccccc3;c1ccc(cc1)CN2CC3(C(CC2C(C3O)O)CO)O","InChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1","","2008-02-08","2011-06-04","(1R,4S,5R,6R,8R)-2-benzyl-8-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,5,6-triol",""],["CE6","CELLOHEXAOSE","C36 H62 O31","O(C3C(OC(OC2C(O)C(O)C(OC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O)O[CH]6CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O","InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+/m1/s1","","2007-03-27","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["VC1","methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate","C23 H20 Cl F O4","Oc1c(c(c(c(c1)O)Cl)CCc2ccccc2Cc3ccc(cc3)F)C(OC)=O;COC(=O)c1c(O)cc(O)c(Cl)c1CCc2ccccc2Cc3ccc(F)cc3;COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O","InChI=1S/C23H20ClFO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)11-8-15-4-2-3-5-16(15)12-14-6-9-17(25)10-7-14/h2-7,9-10,13,26-27H,8,11-12H2,1H3","","2017-08-17","2017-10-06","methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate","2017-10-11"],["CE7","(3S)-3-amino-4,4,4-trihydroxybutanamide","C4 H10 N2 O4","C(C(N)=O)C(N)C(O)(O)O;N[CH](CC(N)=O)C(O)(O)O;C(C(C(O)(O)O)N)C(=O)N","InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1","","2017-09-20","2024-09-27","(3S)-3-amino-4,4,4-trihydroxybutanamide","2018-02-07"],["VC2","(3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","C9 H15 N O2 S3","O=C(O)C1N2C(SCC2SC1(C)C)CS;CC1(C)S[CH]2CS[CH](CS)N2[CH]1C(O)=O;CC1(C(N2C(S1)CSC2CS)C(=O)O)C","InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1","","2013-12-06","2014-11-21","(3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid","2014-11-26"],["CE8","CELLOOCTAOSE","C48 H82 O41","OC8C(O)C(O)OC(CO)C8OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(C(OC3OC(CO)C(OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C(O)C3O)C(O)C4O)CO)C(O)C5O)CO)C(O)C6O)C(O)C7O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]8[CH](O)[CH](O)[CH](O)O[CH]8CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O","InChI=1S/C48H82O41/c49-1-9-17(57)18(58)27(67)42(76-9)84-35-11(3-51)78-44(29(69)20(35)60)86-37-13(5-53)80-46(31(71)22(37)62)88-39-15(7-55)82-48(33(73)24(39)64)89-40-16(8-56)81-47(32(72)25(40)65)87-38-14(6-54)79-45(30(70)23(38)63)85-36-12(4-52)77-43(28(68)21(36)61)83-34-10(2-50)75-41(74)26(66)19(34)59/h9-74H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+/m1/s1","","2007-04-05","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["VC3","3-(4-nitrophenyl)-1H-pyrazole","C9 H7 N3 O2","[O-][N+](=O)c2ccc(c1nncc1)cc2;[O-][N+](=O)c1ccc(cc1)c2cc[nH]n2;c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-]","InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11)","","2007-09-28","2011-06-04","3-(4-nitrophenyl)-1H-pyrazole",""],["CE9","DODECYL NONA ETHYLENE GLYCOL ETHER","C30 H62 O10","O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC;CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3","POLYDOCANOL; THESIT","1999-07-08","2020-06-17","3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol",""],["VC4","methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate","C22 H20 Cl N O4","Oc1cc(O)c(c(c1C(=O)OC)CCc3c(Cc2ccccc2)nccc3)Cl;COC(=O)c1c(O)cc(O)c(Cl)c1CCc2cccnc2Cc3ccccc3;COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O","InChI=1S/C22H20ClNO4/c1-28-22(27)20-16(21(23)19(26)13-18(20)25)10-9-15-8-5-11-24-17(15)12-14-6-3-2-4-7-14/h2-8,11,13,25-26H,9-10,12H2,1H3","","2017-08-28","2018-04-13","methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate","2018-04-18"],["CEA","S-HYDROXY-CYSTEINE","C3 H7 N O3 S","O=C(O)C(N)CSO;N[CH](CSO)C(O)=O;C(C(C(=O)O)N)SO","InChI=1/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H","CYSTEINE SULFENIC ACID","1999-07-08","2009-01-07","S-hydroxy-L-cysteine",""],["VC5","methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate","C23 H21 Cl O4","Oc3cc(O)c(Cl)c(CCc1c(cccc1)Cc2ccccc2)c3C(OC)=O;COC(=O)c1c(O)cc(O)c(Cl)c1CCc2ccccc2Cc3ccccc3;COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O","InChI=1S/C23H21ClO4/c1-28-23(27)21-18(22(24)20(26)14-19(21)25)12-11-16-9-5-6-10-17(16)13-15-7-3-2-4-8-15/h2-10,14,25-26H,11-13H2,1H3","","2017-08-17","2017-10-06","methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate","2017-10-11"],["CEB","2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE","C10 H15 Cl N6","Clc1nc(nc(n1)NC(C#N)(C)CC)NCC;CCNc1nc(Cl)nc(N[C](C)(CC)C#N)n1;CCC(C)(C#N)Nc1nc(nc(n1)Cl)NCC","InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1","DG-420314","1999-07-08","2020-06-17","(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile",""],["VC6","4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one","C10 H16 Cl F N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)F)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[C](F)(Cl)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(P(=O)(O)O)Cl)O)O","InChI=1S/C10H16ClFN3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6-,8+,10+/m0/s1","","2018-03-26","2018-06-15","4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one","2018-06-20"],["CEC","CHLOROETHYLCARBAMOYL GROUP","C3 H6 Cl N O","ClCCNC=O;ClCCNC=O;C(CCl)NC=O","InChI=1/C3H6ClNO/c4-1-2-5-3-6/h3H,1-2H2,(H,5,6)/f/h5H","","1999-07-08","2008-10-14","N-(2-chloroethyl)formamide",""],["VC7","5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine","C11 H16 N5 O7 P","C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O;C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N;CP(=O)(O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O","InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","2020-07-27","2020-12-18","5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine","2020-12-23"],["CED","5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C14 H16 N2 O4 S2","O=CC(NC(=O)Cc1sccc1)C2SCC(=C(C(=O)O)N2)C;CC1=C(N[CH](SC1)[CH](NC(=O)Cc2sccc2)C=O)C(O)=O;CC1=C(NC(SC1)C(C=O)NC(=O)Cc2cccs2)C(=O)O","InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1","DEGRADED CEPHALORIDINE, open form","2000-12-20","2024-09-27","(2R)-5-methyl-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["VC8","4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one","C10 H16 Cl2 N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)Cl)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O","InChI=1S/C10H16Cl2N3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6-,8+/m0/s1","","2018-03-26","2018-06-15","4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one","2018-06-20"],["CEE","(2-chloroethyl)benzene","C8 H9 Cl","ClCCc1ccccc1;ClCCc1ccccc1;c1ccc(cc1)CCCl","InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2","","2009-02-16","2011-06-04","(2-chloroethyl)benzene",""],["VC9","2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","C10 H16 Br2 N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Br)(P(O)(O)=O)Br)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Br)(Br)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O","InChI=1S/C10H16Br2N3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6+,8+/m0/s1","","2018-03-26","2018-06-15","2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine","2018-06-20"],["CEF","CEFOTAXIME, C3' cleaved, open, bound form","C14 H15 N5 O5 S2","CON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O","InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1","","1999-07-08","2024-09-27","2-[1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid",""],["VCA","VACCENIC ACID","C18 H34 O2","O=C(O)CCCCCCCCCC=C/CCCCCC;CCCCCCC=CCCCCCCCCCC(O)=O;CCCCCCC=CCCCCCCCCCC(=O)O","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-","(11E)-OCTADEC-11-ENOIC ACID","2005-07-20","2021-03-01","(11Z)-octadec-11-enoic acid",""],["CEG","4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose","C9 H14 O8","O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C;C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O","InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1","4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-GLUCOSE; 4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucose;\n4,6-O-[(1S)-1-carboxyethylidene]-D-glucose; 4,6-O-[(1S)-1-carboxyethylidene]-glucose","1999-07-08","2020-07-17","4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose",""],["CEH","5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-(\nCARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C32 H42 N6 O13 S","O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(C(=O)O)NC(=O)C)CCC1=C(NC(SC1)C(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O)C)C;C[CH](NC(=O)[CH](C)NC(=O)[CH](CCC1=C(N[CH](SC1)[CH](NC(=O)Cc2ccccc2)C(O)=O)C(O)=O)NC(=O)CC[CH](NC(C)=O)C(O)=O)C(O)=O;CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCC1=C(NC(SC1)C(C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C","InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1","CEPHALOSPORIN ANALOG","2001-01-09","2024-09-27","N-{(2S)-2-[(N-acetyl-D-gamma-glutamyl)amino]-4-[(2R)-4-carboxy-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-3,6-dihydro-2H-1,3-thiazin-5-yl]butanoyl}-D-alanyl-D-alanine",""],["VCB","(2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid","C22 H15 N O4","OC(=O)[CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4;c1ccc(cc1)C(C(=O)O)NC(=O)c2cccc3c2-c4ccccc4C3=O","InChI=1S/C22H15NO4/c24-20-15-10-5-4-9-14(15)18-16(20)11-6-12-17(18)21(25)23-19(22(26)27)13-7-2-1-3-8-13/h1-12,19H,(H,23,25)(H,26,27)/t19-/m1/s1","","2021-05-05","2022-10-28","(2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid","2022-11-02"],["VCC","1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid","C11 H8 F3 N3 O2","Nc1ccccc1n2ncc(C(O)=O)c2C(F)(F)F;c1ccc(c(c1)N)n2c(c(cn2)C(=O)O)C(F)(F)F","InChI=1S/C11H8F3N3O2/c12-11(13,14)9-6(10(18)19)5-16-17(9)8-4-2-1-3-7(8)15/h1-5H,15H2,(H,18,19)","","2023-09-11","2024-07-19","1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid","2024-07-24"],["CEI","N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE","C25 H21 N3 O3","O=C(Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3)Cc4ccc(O)cc4;Oc1ccc(CC(=O)Nc2ncc(nc2Cc3ccccc3)c4ccc(O)cc4)cc1;c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O","InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)","COELENTERAMIDE","2004-01-26","2021-03-01","N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide",""],["VCD","4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole","C21 H24 N4 O3 S","C5OCC(C)N(c4cc(C1(S(C)(=O)=O)CC1)nc(c2cccc3c2ccn3)n4)C5;C[CH]1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)[S](C)(=O)=O;CC1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C","InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1","","2020-07-27","2021-07-23","4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole","2021-07-28"],["CEJ","CYCLOPENTANE-1,3-DIONE","C5 H6 O2","O=C1CC(=O)CC1;O=C1CCC(=O)C1;C1CC(=O)CC1=O","InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2","","2006-03-26","2011-06-04","cyclopentane-1,3-dione",""],["CEK","(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide","C28 H23 N O7","COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cccc5ccccc45;CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O","InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,31-32H,13H2,1-3H3,(H,29,34)/t28-/m1/s1","(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carbox\namide","2010-02-16","2020-06-17","(9aS)-8-ethanoyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-dibenzofuran-4-carboxamide",""],["VCE","3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid","C13 H12 O6","O=C(O)c2c(O)c(OC(=CC1CC1)C(=O)O)ccc2;OC(=O)C(Oc1cccc(C(O)=O)c1O)=CC2CC2;c1cc(c(c(c1)OC(=CC2CC2)C(=O)O)O)C(=O)O","InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6+","","2011-05-23","2012-05-10","3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid",""],["VCF","2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine","C18 H18 Cl N3 O","CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24;CN1CCN(CC1)C2=Nc3ccc(cc3Oc4c2cccc4)Cl","InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3","VUF-6884","2023-07-14","2024-03-15","2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine","2024-03-20"],["CEL","4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE","C17 H14 F3 N3 O2 S","O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N;Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F;Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F","InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)","CELECOXIB","2003-03-20","2020-06-17","4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide",""],["VCG","2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside","C32 H60 O10","C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCCOC[CH](OCCO)[CH]1O[CH](C[CH]1OCCO)OCCO;CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO","InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1","Polysorbate 80","2020-07-28","2021-03-01","2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside","2020-08-26"],["CEM","N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE","C8 H11 N O5","O=CCC(O)C(NC=C/C=O)C(=O)O;O[CH](CC=O)[CH](NC=CC=O)C(O)=O;C(C=O)C(C(C(=O)O)NC=CC=O)O","InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h1,3-7,9,12H,2H2,(H,13,14)/b3-1-/t6-,7+/m0/s1","","1999-07-08","2024-09-27","(3S)-3-hydroxy-5-oxo-N-[(1Z)-3-oxoprop-1-en-1-yl]-D-norvaline",""],["VCH","(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide","C21 H18 F6 N2 O5 S","CC(=O)N1Cc2cc(ccc2[CH]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S](C)(=O)=O;CC(=O)N1Cc2cc(ccc2C1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C","InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1","","2021-05-05","2022-03-11","(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide","2022-03-16"],["CEN","7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID","C15 H18 N2 O8 S","O=C2N1C(=C(CSC1C2NC(=O)CCCC(=O)O)COC(=O)C)C(=O)O;CC(=O)OCC1=C(N2[CH](SC1)[CH](NC(=O)CCCC(O)=O)C2=O)C(O)=O;CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O","InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1","GLUTARYL 7-AMINO CEPHALOSPORANIC ACID","2001-01-19","2021-03-01","(6R,7R)-3-[(acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["VCI","~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide","C16 H17 N5 O2 S","C[S](=O)(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2C#CC3CC3;CS(=O)(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)C#CC3CC3","InChI=1S/C16H17N5O2S/c1-24(22,23)21-12-7-5-11(6-8-12)14-13(9-4-10-2-3-10)15(17)20-16(18)19-14/h5-8,10,21H,2-3H2,1H3,(H4,17,18,19,20)","","2023-03-01","2024-03-01","~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide","2024-03-06"],["CEO","5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C14 H14 N2 O4 S2","O=CC(NC(=O)Cc1sccc1)C2N=C(C(=C)CS2)C(=O)O;OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2sccc2)C=O;C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2cccs2","InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13-/m1/s1","HYDROLYZED CEPHALOTHIN","2002-02-11","2024-09-27","(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["VCJ","tetrakis(4-fluorophenyl)phosphanium","C24 H16 F4 P","c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)cc3)c4ccc(cc4)F;Fc1ccc(cc1)[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4;c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F","InChI=1S/C24H16F4P/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24/h1-16H/q+1","","2020-07-28","2020-12-04","tetrakis(4-fluorophenyl)phosphanium","2020-12-09"],["CEP","CEPHALOTHIN GROUP","C16 H18 N2 O6 S2","O=C(OC)CC1=C(NC(SC1)C(NC(=O)Cc2sccc2)C=O)C(=O)O;COC(=O)CC1=C(N[CH](SC1)[CH](NC(=O)Cc2sccc2)C=O)C(O)=O;COC(=O)CC1=C(NC(SC1)C(C=O)NC(=O)Cc2cccs2)C(=O)O","InChI=1S/C16H18N2O6S2/c1-24-13(21)5-9-8-26-15(18-14(9)16(22)23)11(7-19)17-12(20)6-10-3-2-4-25-10/h2-4,7,11,15,18H,5-6,8H2,1H3,(H,17,20)(H,22,23)/t11-,15-/m1/s1","","1999-07-08","2024-09-27","(2R)-5-(2-methoxy-2-oxoethyl)-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["VCK","(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide","C22 H22 F6 N2 O5 S","CC[S](=O)(=O)c1ccc(cc1)[CH](CC(=O)NC)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F;CCS(=O)(=O)c1ccc(cc1)C(CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C22H22F6N2O5S/c1-3-36(34,35)16-10-4-13(5-11-16)17(12-18(31)29-2)19(32)30-15-8-6-14(7-9-15)20(33,21(23,24)25)22(26,27)28/h4-11,17,33H,3,12H2,1-2H3,(H,29,31)(H,30,32)/t17-/m1/s1","","2021-05-05","2022-03-11","(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide","2022-03-16"],["CEQ","ETHYL-TRIMETHYL-SILANE","C5 H14 Si","CC[Si](C)(C)C;CC[Si](C)(C)C;CC[Si](C)(C)C","InChI=1S/C5H14Si/c1-5-6(2,3)4/h5H2,1-4H3","","2000-09-29","2011-06-04","ethyl(trimethyl)silane",""],["VCL","3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate","C14 H17 Cl N4 S","NC(SCCCc1c[nH]cn1)=NCc2ccc(Cl)cc2;c1cc(ccc1CN=C(N)SCCCc2c[nH]cn2)Cl","InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)","Clobenpropit","2023-07-14","2024-03-15","3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate","2024-03-20"],["CER","(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE","C12 H19 N O3","O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C;CC=CCC=CCCC(=O)[CH](O)CC(N)=O;CC=CCC=CCCC(=O)C(CC(=O)N)O","InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1","CERULENIN","1999-07-08","2024-09-27","(3S,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide",""],["VCN","~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide","C18 H17 N O2","CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12;CCN(CC)C(=O)c1cccc2c1-c3ccccc3C2=O","InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3","","2021-05-05","2022-10-28","~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide","2022-11-02"],["CES","2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","C15 H17 N3 O7 S","O=C(O)C(NC(=O)/C(=NOC)c1occc1)C2SCC(=C(N2)C(=O)O)C;CON=C(C(=O)N[CH]([CH]1NC(=C(C)CS1)C(O)=O)C(O)=O)c2occc2;CC1=C(NC(SC1)C(C(=O)O)NC(=O)C(=NOC)c2ccco2)C(=O)O","InChI=1S/C15H17N3O7S/c1-7-6-26-13(17-9(7)14(20)21)11(15(22)23)16-12(19)10(18-24-2)8-4-3-5-25-8/h3-5,11,13,17H,6H2,1-2H3,(H,16,19)(H,20,21)(H,22,23)/b18-10-/t11-,13+/m0/s1","CEFUROXIME (INHIBITION FORM)","1999-10-06","2024-09-27","(2R)-2-[(R)-carboxy{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["CET","2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE","C10 H15 Cl N6","Clc1nc(nc(n1)NC(C#N)(C)CC)NCC;CCNc1nc(Cl)nc(N[C](C)(CC)C#N)n1;CCC(C)(C#N)Nc1nc(nc(n1)Cl)NCC","InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1","DG-420315","1999-07-08","2020-06-17","(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile",""],["VCO","ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate","C11 H16 N2 O2","O=C(OCC)C(C#N)=C1CCCCCN1;CCOC(=O)C(C#N)=C1CCCCCN1;CCOC(=O)C(=C1CCCCCN1)C#N","InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9-","","2022-08-29","2022-10-28","ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate","2022-11-02"],["VCP","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine","C19 H20 N3 O8 P","C(c1cnc(c(c1[C@H]=NC(CC3c2ccccc2NC3=O)C(O)=O)O)C)OP(O)(O)=O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C[CH]2C(=O)Nc3ccccc23)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC2c3ccccc3NC2=O)C(=O)O)O","InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,16,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-,16?/m0/s1","","2020-07-28","2021-01-29","(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine","2021-02-03"],["CEU","N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine","C10 H18 N6","CNc1cc(nc(N)n1)N2CCN(C)CC2;CNc1cc(nc(n1)N)N2CCN(CC2)C","InChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)","","2019-04-24","2020-10-23","~{N}4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine","2020-10-28"],["VCQ","(2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid","C13 H16 O3","OC(=O)[C](O)(C1CCCC1)c2ccccc2;c1ccc(cc1)C(C2CCCC2)(C(=O)O)O","InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1","","2021-05-05","2022-10-28","(2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid","2022-11-02"],["CEV","ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate","C11 H20 N2 O3","O=C1NCCC1CC(N)CCC(=O)OCC;CCOC(=O)CC[CH](N)C[CH]1CCNC1=O;CCOC(=O)CCC(CC1CCNC1=O)N","InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1","","2012-04-05","2024-09-27","ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate",""],["VCS","4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate","C19 H20 N3 O8 P","C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3c2ccccc2NC3=O)C(=O)O)[O-])C)OP(=O)(O)O;Cc1[nH+]cc(CO[P](O)(O)=O)c(C=[NH+][C-](C[CH]2C(=O)Nc3ccccc23)C(O)=O)c1[O-];Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=[NH+][C-](CC2c3ccccc3NC2=O)C(=O)O)[O-]","InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,21,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-/m0/s1","","2020-07-29","2021-01-29","4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate","2021-02-03"],["CEW","(2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H19 N5 O5 S2","O=CC(NC(=O)C(=NOC)C1=CSC(N)N1)C2SCC(=C(N2)C(=O)O)C;CON=C(C(=O)N[CH](C=O)[CH]1NC(=C(C)CS1)C(O)=O)C2=CS[CH](N)N2;CC1=C(NC(SC1)C(C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O","InChI=1S/C14H19N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12,14,17-18H,4,15H2,1-2H3,(H,16,21)(H,22,23)/b19-10+/t7-,12-,14?/m1/s1","","2009-06-17","2011-06-04","(2R)-2-[(1R)-1-{[(2E)-2-[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["VCT","~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide","C16 H13 N O2","CN(C)C(=O)c1cccc2C(=O)c3ccccc3c12;CN(C)C(=O)c1cccc2c1-c3ccccc3C2=O","InChI=1S/C16H13NO2/c1-17(2)16(19)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)18/h3-9H,1-2H3","","2021-05-05","2022-10-28","~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide","2022-11-02"],["CEX","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)\n-alpha-D-glucopyranose","C30 H52 O26","OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O)O[CH]5CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)O)CO)CO)CO)CO)O)O)O)O","InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1","maltopentaose","2009-11-09","2020-07-17","(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol",""],["VCU","~{N}-methylcyclohexanamine","C7 H15 N","CNC1CCCCC1;CNC1CCCCC1","InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3","","2023-09-11","2023-10-06","~{N}-methylcyclohexanamine","2023-10-11"],["CEY","alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)\n-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose","C36 H62 O31","OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O)O[CH]6CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O","InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1","maltohexaose","2009-11-09","2020-07-17","(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol",""],["VCV","N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide","C31 H33 N7 O3 S","c1(NS(CC)(=O)=O)cc(cc2c1ccn2C(c3ncccc3)(c4ccccn4)C)C5=CN(C(C(=C5)NC6CNC6)=O)C;CC[S](=O)(=O)Nc1cc(cc2n(ccc12)[C](C)(c3ccccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC6CNC6;CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C","InChI=1S/C31H33N7O3S/c1-4-42(40,41)36-25-15-21(22-16-26(30(39)37(3)20-22)35-23-18-32-19-23)17-27-24(25)11-14-38(27)31(2,28-9-5-7-12-33-28)29-10-6-8-13-34-29/h5-17,20,23,32,35-36H,4,18-19H2,1-3H3","","2020-07-30","2021-08-20","N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide","2021-08-25"],["CEZ","4-O-beta-D-glucopyranosyl-D-gluconic acid","C12 H22 O12","O(C(C(C(C(O)=O)O)O)C(O)CO)C1OC(CO)C(O)C(C1O)O;OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C(O)=O;C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O","InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1","cellobionic acid; 4-O-beta-D-glucosyl-D-gluconic acid; 4-O-D-glucosyl-D-gluconic acid; 4-O-glucosyl-D-gluconic acid","2015-05-12","2020-07-17","4-O-beta-D-glucopyranosyl-D-gluconic acid","2015-06-10"],["VCW","[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","C9 H18 O10 S","OC[CH](O)CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)S(=O)(=O)O","InChI=1S/C9H18O10S/c10-1-4(11)2-18-9-8(14)7(13)6(12)5(19-9)3-20(15,16)17/h4-14H,1-3H2,(H,15,16,17)/t4-,5-,6-,7+,8-,9+/m1/s1","sulfoquinovosyl glycerol; SQGro","2021-05-05","2022-01-14","[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","2022-01-19"],["CF","CALIFORNIUM ION","Cf","[Cf+3];[Cf+3];[Cf+3]","InChI=1S/Cf/q+3","","2016-06-17","2017-04-21","californium","2017-04-26"],["CF0","fluoromethane","C H3 F","FC;CF;CF","InChI=1S/CH3F/c1-2/h1H3","Fluoro methyl group","2009-01-06","2024-09-27","fluoromethane",""],["VCX","methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate","C6 H7 Br N2 O2","Brc1c(C)[NH]nc1C(=O)OC;COC(=O)c1n[nH]c(C)c1Br;Cc1c(c(n[nH]1)C(=O)OC)Br","InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9)","","2022-08-29","2022-10-28","methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate","2022-11-02"],["VCY","[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid","C24 H20 O5","c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(O)=O)ccc4)OC;COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(OC)c4;COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC","InChI=1S/C24H20O5/c1-27-18-7-3-5-15(11-18)16-9-10-20-21(14-23(25)26)24(29-22(20)13-16)17-6-4-8-19(12-17)28-2/h3-13H,14H2,1-2H3,(H,25,26)","","2020-07-30","2021-08-06","[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid","2021-08-11"],["CF1","2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid","C15 H11 Cl F3 N O3","Clc2ccc(cc2Nc1ccc(OC)cc1C(=O)O)C(F)(F)F;COc1ccc(Nc2cc(ccc2Cl)C(F)(F)F)c(c1)C(O)=O;COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F","InChI=1S/C15H11ClF3NO3/c1-23-9-3-5-12(10(7-9)14(21)22)20-13-6-8(15(17,18)19)2-4-11(13)16/h2-7,20H,1H3,(H,21,22)","","2009-06-04","2011-06-04","2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid",""],["VCZ","3-acetamido-4-methoxy-benzoic acid","C10 H11 N O4","COc1ccc(cc1NC(C)=O)C(O)=O;CC(=O)Nc1cc(ccc1OC)C(=O)O","InChI=1S/C10H11NO4/c1-6(12)11-8-5-7(10(13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)","","2023-03-01","2024-01-05","3-acetamido-4-methoxy-benzoic acid","2024-01-10"],["CF2","2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine","C25 H26 N10 O7","O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCNC(=O)OCC6OC(n5cnc4c5N=C(N)NC4=O)CC6O)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCNC(=O)OC[CH]4O[CH](C[CH]4O)n5cnc6C(=O)NC(=Nc56)N)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OCC4C(CC(O4)n5cnc6c5N=C(NC6=O)N)O","InChI=1S/C25H26N10O7/c1-10-5-12-13(6-11(10)2)34(20-18(29-12)22(38)33-24(39)31-20)4-3-27-25(40)41-8-15-14(36)7-16(42-15)35-9-28-17-19(35)30-23(26)32-21(17)37/h5-6,9,14-16,36H,3-4,7-8H2,1-2H3,(H,27,40)(H,33,38,39)(H3,26,30,32,37)/t14-,15+,16+/m0/s1","","2007-12-19","2011-06-04","2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine",""],["VD1","5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL","C23 H36 O2","OC3C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CC)C)C3;CC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CCC(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1","1-ALPHA-HYDROXY-2-METHYLENE-19-NOR-(20S)-BISHOMOPREGNACALCIFEROL; 2MBISP","2003-12-17","2020-06-17","(1R,3R,7E,17beta)-2-methylidene-17-[(1S)-1-methylpropyl]-9,10-secoestra-5,7-diene-1,3-diol",""],["CF3","9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE","C15 H18 F3 N O2","O=C(Nc1ccccc1)CCCCCCC(=O)C(F)(F)F;FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F","InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)","","2006-04-21","2011-06-04","9,9,9-trifluoro-8-oxo-N-phenylnonanamide",""],["VD2","5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL","C27 H46 O3","OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](C)[CH](O)C3;CC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)CC1O)O","InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19+,22-,23+,24-,25-,27-/m1/s1","2-ALPHA-METHYL-19-NOR-1,25-DIHYDROXYVITAMIN D3; 2AM20R","2003-12-17","2020-06-17","(1R,2R,3R,5E,7E,17beta)-17-[(1R)-5-hydroxy-1,5-dimethylhexyl]-2-methyl-9,10-secoestra-5,7-diene-1,3-diol",""],["CF4","[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid","C17 H19 N5 O4","O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCCCNC(=O)O)C)C;Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCCNC(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O","InChI=1S/C17H19N5O4/c1-9-7-11-12(8-10(9)2)22(6-4-3-5-18-17(25)26)14-13(19-11)15(23)21-16(24)20-14/h7-8,18H,3-6H2,1-2H3,(H,25,26)(H,21,23,24)","","2007-12-19","2011-06-04","[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid",""],["VD3","(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI\nDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL","C27 H44 O","OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(C)C)CCC12)C(=C)CC3;CC(C)CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C","InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/t21-,24+,25-,26+,27-/m1/s1","VITAMIN D3","2006-06-15","2020-06-17","(3S,5E,7Z,14beta,17alpha)-9,10-secocholesta-5,7,10-trien-3-ol",""],["CF5","COFORMYCIN 5'-PHOSPHATE","C11 H17 N4 O8 P","O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O;O[CH]1CNC=Nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNCC2O","InChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1","","2005-06-29","2011-06-04","(8R)-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol",""],["VD4","(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol","C27 H42 O3","OC3C(=C)C(O)CC(=CC=C1/CCCC2(C(=C(C)CCCC(O)(C)C)CCC12)C)C3;CC(CCCC(C)(C)O)=C1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(=C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C)CCCC(C)(C)O","InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,23-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+,22-18-/t23-,24+,25+,27+/m0/s1","","2006-12-07","2011-06-04","(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["CF6","N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}","C48 H54 Cl2 N10 O2 S2","Clc1ccc(cc1)C=2c8c(n7c(C(N=2)CC(=O)NCCCCCCCCCCNC(=O)CC3N=C(c5c(n4c3nnc4C)sc(c5C)C)c6ccc(cc6)Cl)nnc7C)sc(c8C)C;Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCCCCCCCNC(=O)C[CH]4N=C(c5ccc(Cl)cc5)c6c(C)c(C)sc6n7c(C)nnc47)N=C(c8ccc(Cl)cc8)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C","InChI=1S/C48H54Cl2N10O2S2/c1-27-29(3)63-47-41(27)43(33-15-19-35(49)20-16-33)53-37(45-57-55-31(5)59(45)47)25-39(61)51-23-13-11-9-7-8-10-12-14-24-52-40(62)26-38-46-58-56-32(6)60(46)48-42(28(2)30(4)64-48)44(54-38)34-17-21-36(50)22-18-34/h15-22,37-38H,7-14,23-26H2,1-6H3,(H,51,61)(H,52,62)/t37-,38-/m0/s1","","2018-05-25","2018-07-20","N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}","2018-07-25"],["VD5","(1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol","C27 H42 O3","OC3C(=C)C(O)CC(=CC=C1/CCCC2(C(=C(/C)CCCC(O)(C)C)CCC12)C)C3;CC(CCCC(C)(C)O)=C1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(=C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C)CCCC(C)(C)O","InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,23-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+,22-18+/t23-,24+,25+,27+/m0/s1","","2006-12-07","2011-06-04","(1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["CF7","(2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide","C28 H29 Cl N6 O5","c15c(cc(cc1)NC(=O)N2CCOC(C2)C(Nc3ccc(C#N)c(c3)Cl)=O)C(=O)N(CC4CC4)C(N5C(C)C)=O;CC(C)N1C(=O)N(CC2CC2)C(=O)c3cc(NC(=O)N4CCO[CH](C4)C(=O)Nc5ccc(C#N)c(Cl)c5)ccc13;CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCOC(C4)C(=O)Nc5ccc(c(c5)Cl)C#N","InChI=1S/C28H29ClN6O5/c1-16(2)35-23-8-7-19(11-21(23)26(37)34(28(35)39)14-17-3-4-17)32-27(38)33-9-10-40-24(15-33)25(36)31-20-6-5-18(13-30)22(29)12-20/h5-8,11-12,16-17,24H,3-4,9-10,14-15H2,1-2H3,(H,31,36)(H,32,38)/t24-/m1/s1","","2017-09-21","2018-11-16","(2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide","2018-11-21"],["VD6","(2R)-1-benzylpiperidine-2-carboxylic acid","C13 H17 N O2","O=C(O)C1CCCCN1Cc1ccccc1;OC(=O)[CH]1CCCCN1Cc2ccccc2;c1ccc(cc1)CN2CCCCC2C(=O)O","InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m1/s1","","2022-08-29","2022-10-28","(2R)-1-benzylpiperidine-2-carboxylic acid","2022-11-02"],["CF8","(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid","C20 H16 O2 S","OC(=O)C(S)=Cc1ccccc1Cc2ccc3ccccc3c2;c1ccc2cc(ccc2c1)Cc3ccccc3C=C(C(=O)O)S","InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-","","2017-11-24","2018-09-28","(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid","2018-10-03"],["VD8","3,5-di~{tert}-butylbenzenesulfonamide","C14 H23 N O2 S","CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C;CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C","InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17)","","2019-10-17","2020-10-09","3,5-di~{tert}-butylbenzenesulfonamide","2020-10-14"],["CF9","2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate","C18 H9 N O6","[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc4OC(=O)c3cccc2c34;[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc3OC(=O)c4cccc2c34;c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]","InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H","","2013-08-02","2013-11-01","2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate","2013-11-06"],["VD9","4-(propylsulfanyl)benzenesulfonamide","C9 H13 N O2 S2","O=S(=O)(c1ccc(SCCC)cc1)N;CCCSc1ccc(cc1)[S](N)(=O)=O;CCCSc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)","","2014-11-10","2015-06-26","4-(propylsulfanyl)benzenesulfonamide","2015-07-01"],["CFA","(2,4-DICHLOROPHENOXY)ACETIC ACID","C8 H6 Cl2 O3","Clc1cc(Cl)ccc1OCC(=O)O;OC(=O)COc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)OCC(=O)O","InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)","2,4-DICHLOROPHENOXYACETIC ACID","2001-12-05","2021-03-13","(2,4-dichlorophenoxy)acetic acid",""],["VDA","(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol","C28 H46 O5 S","O(CCO)C3C(O)C/C(=C/C=C1CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)CC3O;CCC(O)(CC)CS[CH](C)C1=CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](OCCO)[CH](O)C3;CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(C(C3)O)OCCO)O)C)O","InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23-,24+,25+,26+,27+/m0/s1","(20S)-1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3","2008-04-09","2021-03-13","(1R,2S,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol",""],["CFB","2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE","C10 H11 Cl F N5 O3","Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N;Nc1nc(Cl)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3F;c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)F)Cl)N","InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1","CLOFARABINE","2005-07-14","2021-03-01","2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine",""],["VDB","(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol","C28 H46 O5 S","O(CCO)C3C(O)C/C(=C/C=C1CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)CC3O;CCC(O)(CC)CS[CH](C)C1=CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](OCCO)[CH](O)C3;CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(C(C3)O)OCCO)O)C)O","InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26-,27-/m1/s1","(20R)-1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3","2008-04-09","2021-03-13","(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol",""],["CFC","1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE","C14 H15 Fe N O3","[Fe]|1|2|3|4|5|6|7|8(|[CH]9[CH]|1[CH]|2[C]|3([CH]|49)C(O)=O)|[CH]%10[CH]|5[CH]|6[C]|7([CH]|8%10)C(=O)N(C)C;CN(C)C(=O)C12C3[Fe]1456789(C3C4C52)C1C6C7C8(C91)C(=O)O","InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);","","1999-07-08","2011-06-04","",""],["VDC","N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","C24 H26 F N5 O4","FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O;CC(C)Oc1nc2nn(cc2cc1C(=O)NC3=CC=CN([CH]4C[CH]4F)C3=O)C56COC(C)(C5)C6;CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6F","InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16-,18+,23-,24-/m0/s1","","2023-09-11","2024-06-21","N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","2024-06-26"],["5OD","6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine","C16 H19 Cl2 N5","CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl;CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N","InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)","SHP099","2015-10-29","2020-06-17","6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine","2016-06-29"],["VDD","(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid","C8 H9 N O2 S","CC(Sc1ccccn1)C(=O)O;C[CH](Sc1ccccn1)C(O)=O;CC(C(=O)O)Sc1ccccn1","InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1","","2022-08-29","2022-10-28","(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid","2022-11-02"],["5OE","~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine","C22 H20 N8 O","COc1cc(ccc1Nc2ncc3ccnc(c4cnn(C)c4)c3n2)c5cnn(C)c5;Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C","InChI=1S/C22H20N8O/c1-29-12-16(10-25-29)14-4-5-18(19(8-14)31-3)27-22-24-9-15-6-7-23-20(21(15)28-22)17-11-26-30(2)13-17/h4-13H,1-3H3,(H,24,27,28)","","2015-10-29","2016-04-15","~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine","2016-04-20"],["VDE","(2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid","C11 H20 N6 O3","N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O;c1c(nnn1CCCCC(C(=O)O)N)CC(C(=O)N)N","InChI=1S/C11H20N6O3/c12-8(11(19)20)3-1-2-4-17-6-7(15-16-17)5-9(13)10(14)18/h6,8-9H,1-5,12-13H2,(H2,14,18)(H,19,20)/t8-,9-/m0/s1","","2021-05-06","2024-09-27","(2~{S})-2-azanyl-6-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid","2023-04-26"],["5OF","2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid","C10 H8 N2 O3","OC(=O)CC1=NNC(=O)c2ccccc12;c1ccc2c(c1)C(=NNC2=O)CC(=O)O","InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)","","2015-10-29","2015-11-13","2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid","2015-11-18"],["5OG","Belinostat","C15 H14 N2 O4 S","ONC(=O)C=Cc1cccc(c1)[S](=O)(=O)Nc2ccccc2;c1ccc(cc1)NS(=O)(=O)c2cccc(c2)C=CC(=O)NO","InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+","","2015-10-29","2016-07-22","(~{E})-~{N}-oxidanyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide","2016-07-27"],["VDF","2-O-phosphono-beta-L-arabinopyranose","C5 H11 O8 P","O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O;C1C(C(C(C(O1)O)OP(=O)(O)O)O)O","InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1","2-O-phosphono-beta-L-arabinose; 2-O-phosphono-L-arabinose; 2-O-phosphono-arabinose; [(2S,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate","2023-03-01","2024-01-19","[(2~{S},3~{R},4~{S},5~{S})-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate","2024-01-24"],["VDG","(2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid","C17 H25 N5 O13","N[CH]([CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]1O)N2C=C(CO)C(=O)NC2=O)C(O)=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N)O)O)CO","InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1","","2023-07-19","2023-10-13","(2~{S})-2-[[(2~{S},3~{S},4~{S})-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2~{R},3~{S},4~{R},5~{R})-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid","2023-10-18"],["5OH","(2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid","C6 H12 N4 O3","N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O;C1C(NC(=NC1O)N)C(C(=O)O)N","InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1","","2010-02-05","2024-09-27","(2S)-2-azanyl-2-[(4S,6R)-2-azanyl-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoic acid",""],["VDH","N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide","C20 H22 N6 O3","CCN1Cc2cc(NC(=O)C3=C(C)N4NC(=O)C=C4N=C3)ccc2NCCC1=O;CCN1Cc2cc(ccc2NCCC1=O)NC(=O)C3=C(N4C(=CC(=O)N4)N=C3)C","InChI=1S/C20H22N6O3/c1-3-25-11-13-8-14(4-5-16(13)21-7-6-19(25)28)23-20(29)15-10-22-17-9-18(27)24-26(17)12(15)2/h4-5,8-10,21H,3,6-7,11H2,1-2H3,(H,23,29)(H,24,27)","N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide","2021-05-06","2022-05-27","~{N}-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide","2022-06-01"],["5OI","(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine","C18 H22 N4 O","CC(C)CC(N)c1nc(CC)c2cc(ccc2n1)c1cnco1;CCc1nc(nc2ccc(cc12)c3ocnc3)[CH](N)CC(C)C;CCc1c2cc(ccc2nc(n1)C(CC(C)C)N)c3cnco3","InChI=1S/C18H22N4O/c1-4-15-13-8-12(17-9-20-10-23-17)5-6-16(13)22-18(21-15)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3/t14-/m0/s1","","2021-07-21","2022-02-18","(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine","2022-02-23"],["VDI","1-(4-chlorophenyl)cyclobutane-1-carboxylic acid","C11 H11 Cl O2","OC(=O)C1(CCC1)c1ccc(Cl)cc1;OC(=O)C1(CCC1)c2ccc(Cl)cc2;c1cc(ccc1C2(CCC2)C(=O)O)Cl","InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)","","2022-08-29","2022-10-28","1-(4-chlorophenyl)cyclobutane-1-carboxylic acid","2022-11-02"],["5OJ","4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide","C17 H18 N2 O4","OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2;c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO","InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)","HPOB","2015-10-29","2021-03-01","4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide","2016-07-27"],["VDJ","[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C21 H35 F2 N3 O8 S","C(C(NC(CC1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(=O)OCC2CCC(CC2)(F)F;CC(C)C[CH](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F","InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19+/m0/s1","","2020-07-30","2024-09-27","(1R,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2020-08-12"],["5OK","Oxamflatin","C17 H14 N2 O4 S","ONC(=O)C=CC#Cc1cccc(N[S](=O)(=O)c2ccccc2)c1;c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#CC=CC(=O)NO","InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+","","2015-10-29","2016-07-22","(~{E})-~{N}-oxidanyl-5-[3-(phenylsulfonylamino)phenyl]pent-2-en-4-ynamide","2016-07-27"],["VDK","[(1S,3S)-3-carboxycyclohexyl]azanium","C7 H14 N O2","[NH3+][CH]1CCC[CH](C1)C(O)=O;C1CC(CC(C1)[NH3+])C(=O)O","InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1","","2021-05-07","2024-09-27","[(1~{S},3~{S})-3-carboxycyclohexyl]azanium","2021-08-11"],["5OL","N~6~-(1,1-dihydroxyethyl)-L-lysine","C8 H18 N2 O4","C(CCCCNC(C)(O)O)(C(=O)O)N;CC(O)(O)NCCCC[CH](N)C(O)=O;CC(NCCCCC(C(=O)O)N)(O)O","InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1","","2015-10-29","2024-09-27","N~6~-(1,1-dihydroxyethyl)-L-lysine","2016-07-27"],["VDL","(2R,3R)-2,3-DIAMINOBUTANOIC ACID","C4 H10 N2 O2","O=C(O)C(N)C(N)C;C[CH](N)[CH](N)C(O)=O;CC(C(C(=O)O)N)N","InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1","D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID","2004-07-16","2024-09-27","(2R,3R)-2,3-diaminobutanoic acid",""],["5OM","(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid","C10 H19 N O5","OC(CCCCCC(N)C(=O)O)(O)C1OC1;N[CH](CCCCCC(O)(O)[CH]1CO1)C(O)=O;C1C(O1)C(CCCCCC(C(=O)O)N)(O)O","InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1","","2015-10-29","2024-09-27","(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid","2016-07-27"],["VDM","(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL","C14 H25 N O8","OC2C(NC1C=C(CO)C(O)C(O)C1O)CC(C(O)C2O)CO;OC[CH]1C[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)CO","InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1","VALIDOXYLAMINE","2007-01-25","2021-03-01","(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol",""],["5ON","(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid","C18 H16 O5","OC(=O)Cc1cccc(COc2cccc(C=CC(O)=O)c2)c1;c1cc(cc(c1)COc2cccc(c2)C=CC(=O)O)CC(=O)O","InChI=1S/C18H16O5/c19-17(20)8-7-13-3-2-6-16(10-13)23-12-15-5-1-4-14(9-15)11-18(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-7+","","2015-10-30","2016-03-04","(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid","2016-03-09"],["VDN","2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE","C23 H32 N6 O4 S","O=C2N=C(Nn1c(nc(c12)C)CCC)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4;CCCc1nc(C)c2n1NC(=NC2=O)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(CC)CC4;CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C","InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)","VARDENAFIL, LEVITRA","2003-07-10","2020-06-17","2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one",""],["5OO","(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid","C9 H6 Cl2 O2","OC(=O)C=Cc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)C=CC(=O)O","InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+","","2015-10-30","2016-02-26","(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid","2016-03-02"],["VDO","[(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-5-{[(1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}CYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE","C14 H26 N O11 P","O=P(O)(O)OCC2C(O)C(O)C(O)C(NC1C=C(CO)C(O)C(O)C1O)C2;OCC1=C[CH](N[CH]2C[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)COP(=O)(O)O","InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1","","2009-09-25","2011-06-04","[(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate",""],["5OP","(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID","C20 H30 O5","O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC;CCCCCC(=O)C=C[CH]1C(O)CC(=O)[CH]1CC=CCCCC(O)=O;CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O","InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+","15-OXO-PGE2","2003-11-11","2020-06-17","(8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid",""],["VDP","(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one","C37 H53 N O4","O=C2N(CCCCc1ccccc1)C(CC2(O)C)CC(C)C5CCC4C(=CC=C3/C(=C)C(O)CC(O)C3)CCCC45C;C[CH](C[CH]1C[C](C)(O)C(=O)N1CCCCc2ccccc2)[CH]3CC[CH]4C(CCC[C]34C)=CC=C5C[CH](O)C[CH](O)C5=C;CC(CC1CC(C(=O)N1CCCCc2ccccc2)(C)O)C3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C","InChI=1S/C37H53NO4/c1-25(21-30-24-37(4,42)35(41)38(30)20-9-8-13-27-11-6-5-7-12-27)32-17-18-33-28(14-10-19-36(32,33)3)15-16-29-22-31(39)23-34(40)26(29)2/h5-7,11-12,15-16,25,30-34,39-40,42H,2,8-10,13-14,17-24H2,1,3-4H3/b28-15+,29-16-/t25-,30+,31-,32-,33+,34+,36-,37-/m1/s1","","2015-02-11","2016-12-02","(3R,5S)-5-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}-3-hydroxy-3-methyl-1-(4-phenylbutyl)pyrrolidin-2-one (non-preferred name)","2016-12-07"],["5OQ","~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine","C21 H20 N4 O2","COc1ccc(Nc2cc3c(cccc3c4cnn(C)c4)cn2)c(OC)c1;Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC","InChI=1S/C21H20N4O2/c1-25-13-15(12-23-25)17-6-4-5-14-11-22-21(10-18(14)17)24-19-8-7-16(26-2)9-20(19)27-3/h4-13H,1-3H3,(H,22,24)","","2015-10-30","2016-04-15","~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine","2016-04-20"],["VDQ","4-morpholin-4-ylaniline","C10 H14 N2 O","Nc1ccc(cc1)N2CCOCC2;c1cc(ccc1N)N2CCOCC2","InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2","4-Morpholinoaniline; 75655","2021-05-07","2024-09-27","4-morpholin-4-ylaniline","2021-08-11"],["5OR","2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol","C13 H9 I N2 O2","Oc1ccc(cc1)c2nc3ccc(O)cn3c2I;c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O","InChI=1S/C13H9IN2O2/c14-13-12(8-1-3-9(17)4-2-8)15-11-6-5-10(18)7-16(11)13/h1-7,17-18H","","2015-10-30","2016-04-29","2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol","2016-05-04"],["5OS","3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol","C16 H10 Cl2 O3","Oc1ccc(c(Cl)c1)c2cocc2c3ccc(O)cc3Cl;c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O","InChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H","","2015-10-30","2016-04-29","3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol","2016-05-04"],["VDS","beta-D-allofuranose","C6 H12 O6","C1(O)C(C(CO)O)OC(C1O)O;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1","","2020-07-30","2021-05-28","beta-D-allofuranose","2021-06-02"],["VDT","5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine","C16 H16 N4 O","COc1ccccc1c2nc(N)nc(N)c2C#CC3CC3;COc1ccccc1c2c(c(nc(n2)N)N)C#CC3CC3","InChI=1S/C16H16N4O/c1-21-13-5-3-2-4-11(13)14-12(9-8-10-6-7-10)15(17)20-16(18)19-14/h2-5,10H,6-7H2,1H3,(H4,17,18,19,20)","","2023-03-01","2024-03-01","5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine","2024-03-06"],["5OT","1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea","C13 H12 I N3 O2 S2","N[S](=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1;c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C13H12IN3O2S2/c14-9-2-1-3-11(8-9)17-13(20)16-10-4-6-12(7-5-10)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)","","2015-10-30","2016-11-04","1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea","2016-11-09"],["VDU","fluorolissoclimide","C20 H30 F N O4","CC1(C)C[CH](F)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12;CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)F)C","InChI=1S/C20H30FNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1","(3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-fluoranyl-5,5,8a-trimethyl-2-methylidene-3-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","2023-09-12","2025-06-20","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-fluoranyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","2025-06-25"],["5OU","3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione","C14 H13 Cl N4 O2","CCn1cnc2N(Cc3ccc(Cl)cc3)C(=O)NC(=O)c12;CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl","InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)","","2015-10-30","2016-01-15","3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione","2016-01-20"],["VDV","alpha-D-allofuranose","C6 H12 O6","C1(O)C(C(CO)O)OC(C1O)O;OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O;C(C(C1C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6+/m1/s1","","2020-07-30","2021-05-28","alpha-D-allofuranose","2021-06-02"],["5OV","(3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol","C7 H13 N O7 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12;C(C1C(C(C(C2C1OS(=O)(=O)N2)O)O)O)O","InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1","Cyclophellitol Sulfamidate probe KK131","2021-07-13","2022-07-22","(3~{a}~{R},4~{S},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol","2022-07-27"],["VDW","[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium","C10 H18 N3 O6 S","[NH3+][CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)[NH3+]","InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1","","2021-05-07","2025-09-10","[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium","2021-05-26"],["5OW","(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid","C17 H27 N4 O9 P S","Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)C(=NC(CS)C(=O)O)NCCCCC(C(=O)O)N)O","InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1","","2015-10-30","2024-09-27","(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid","2016-11-09"],["VDX","5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL","C27 H44 O3","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1","1,25 DIHYDROXY VITAMIN D3","1999-11-03","2021-03-13","(1S,3R,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["5OX","(7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid","C23 H34 O3","O=C(O)CCCC(=O)C[C@H]=[C@H]CC[C@H]=[C@H]C[C@H]=[C@H]C[C@H]=CCC=C/CC;CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCC(O)=O;CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCC(=O)O","InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-18-21-23(25)26/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-21H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,17-16+","","2014-11-26","2024-09-27","(7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid","2015-04-08"],["VDY","3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL","C27 H44 O2","OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)/C(=C)CC3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C","InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1","25-HYDROXYVITAMIN D3","2001-05-18","2021-03-01","(3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol",""],["5OY","5-phosphono-L-norvaline","C5 H12 N O5 P","N[CH](CCC[P](O)(O)=O)C(O)=O;C(CC(C(=O)O)N)CP(=O)(O)O","InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1","(2~{S})-2-azanyl-5-phosphono-pentanoic acid","2015-11-02","2020-06-17","(2~{S})-2-azanyl-5-phosphono-pentanoic acid","2016-11-09"],["VDZ","5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO\nL","C27 H44 O3","OC3/C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CCCC(O)(C)C)C)C3;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C","InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1","2-METHYLENE-19-NOR-(20S)-1ALPHA,25-DIHYDROXY-VITAMIN D3; 2MD","2003-12-17","2020-06-17","(1R,3R,7E,17beta)-17-[(1S)-5-hydroxy-1,5-dimethylhexyl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["5OZ","2-methylpropanal","C4 H8 O","CC(C)C=O;CC(C)C=O","InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","Isobutyraldehyde","2015-11-03","2020-06-17","2-methylpropanal","2016-11-16"],["VE0","N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide","C11 H16 N4 O","N=C(NO)c1cccnc1N1CCCCC1;ONC(=N)c1cccnc1N2CCCCC2;c1cc(c(nc1)N2CCCCC2)C(=N)NO","InChI=1S/C11H16N4O/c12-10(14-16)9-5-4-6-13-11(9)15-7-2-1-3-8-15/h4-6,16H,1-3,7-8H2,(H2,12,14)","","2022-08-29","2022-10-28","N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide","2022-11-02"],["5P0","(3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione","C12 H20 N2 O5","C[CH](CCO)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO;CC(CCO)C1C(=O)NC(=CC(C)(CO)O)C(=O)N1","InChI=1S/C12H20N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h5,7,9,15-16,19H,3-4,6H2,1-2H3,(H,13,18)(H,14,17)/b8-5-/t7-,9-,12+/m0/s1","","2021-08-23","2023-02-10","(3~{Z},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione","2023-02-15"],["VE1","4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine","C15 H13 Cl F N5","Cn1cc(Cc2cccc(F)c2)c(n1)c3cc(Cl)nc(N)n3;Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccc(c3)F","InChI=1S/C15H13ClFN5/c1-22-8-10(5-9-3-2-4-11(17)6-9)14(21-22)12-7-13(16)20-15(18)19-12/h2-4,6-8H,5H2,1H3,(H2,18,19,20)","","2023-03-03","2023-04-21","4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine","2023-04-26"],["5P1","2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol","C14 H9 F3 N2 O2","Oc1ccc(cc1)c2nc3ccc(O)cn3c2C(F)(F)F;c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O","InChI=1S/C14H9F3N2O2/c15-14(16,17)13-12(8-1-3-9(20)4-2-8)18-11-6-5-10(21)7-19(11)13/h1-7,20-21H","","2015-11-03","2016-04-29","2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol","2016-05-04"],["VE2","5-[(E)-2-(3-carboxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-benzoic acid","C16 H12 O6","OC(=O)c1cc(ccc1O)C=Cc2ccc(O)c(c2)C(O)=O;c1cc(c(cc1C=Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O","InChI=1S/C16H12O6/c17-13-5-3-9(7-11(13)15(19)20)1-2-10-4-6-14(18)12(8-10)16(21)22/h1-8,17-18H,(H,19,20)(H,21,22)/b2-1+","","2023-07-21","2025-01-17","5-[(~{E})-2-(3-carboxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-benzoic acid","2025-01-22"],["5P2","3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide","C24 H20 F3 N7 O3 S2","CCN1CC(C1)n2nccc2c3cc(ccc3Oc4ccc(cc4C#N)[S](=O)(=O)Nc5sncn5)C(F)(F)F;CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F","InChI=1S/C24H20F3N7O3S2/c1-2-33-12-17(13-33)34-20(7-8-30-34)19-10-16(24(25,26)27)3-5-22(19)37-21-6-4-18(9-15(21)11-28)39(35,36)32-23-29-14-31-38-23/h3-10,14,17H,2,12-13H2,1H3,(H,29,31,32)","GX-936","2015-11-03","2021-03-01","3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide","2015-12-23"],["VE3","N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide","C9 H15 N3 O S","O=C(c1snnc1CC)N(CC)CC;CCN(CC)C(=O)c1snnc1CC;CCc1c(snn1)C(=O)N(CC)CC","InChI=1S/C9H15N3OS/c1-4-7-8(14-11-10-7)9(13)12(5-2)6-3/h4-6H2,1-3H3","","2022-08-29","2022-10-28","N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide","2022-11-02"],["5P3","5-chloro-4-hydroxybiphenyl-3-carboxylic acid","C13 H9 Cl O3","Clc1cc(cc(C(=O)O)c1O)c2ccccc2;OC(=O)c1cc(cc(Cl)c1O)c2ccccc2;c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O","InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)","5-Phenyl,3-chlorosalicylic acid","2010-07-12","2021-03-13","5-chloro-4-hydroxybiphenyl-3-carboxylic acid",""],["VE4","4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate","C19 H20 N3 O9 P","C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O;Cc1[nH+]cc(CO[P](O)(O)=O)c(C=[NH+][C-](C[C]2(O)C(=O)Nc3ccccc23)C(O)=O)c1[O-];Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=[NH+][C-](CC2(c3ccccc3NC2=O)O)C(=O)O)[O-]","InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1","","2020-07-31","2021-01-29","4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate","2021-02-03"],["5P4","propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate","C20 H24 N2 O4","CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3occc3;CC1CC(c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C","InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1","","2015-11-03","2016-11-11","propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate","2016-11-16"],["VE5","N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide","C16 H18 N4 O2","CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3;CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3","InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22)","1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide","2021-05-07","2021-07-23","~{N}5-cyclopropyl-~{N}3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide","2021-07-28"],["5P5","(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate","C17 H32 O16 P2","O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)CCC;CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC","InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14-,15-,16+,17-/m1/s1","","2011-04-20","2011-07-01","(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate",""],["VE6","2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid","C16 H10 Br N O4","Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23;c1cc(ccc1n2cc(c3c2ccc(c3)Br)C(=O)C(=O)O)O","InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22)","2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid","2021-05-28","2024-05-03","2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid","2024-05-08"],["5P6","2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile","C20 H20 N4","CC(C)CC(N)c1cc(C#N)c2cc(ccc2n1)c1ccncc1;CC(C)C[CH](N)c1cc(C#N)c2cc(ccc2n1)c3ccncc3;CC(C)CC(c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N","InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1","","2021-07-21","2022-02-18","2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile","2022-02-23"],["VE7","[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid","C24 H20 O5","c4c(c3c(c2c(cc(c1cc(ccc1)OC)cc2)o3)CC(O)=O)ccc(c4)OC;COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc(OC)c4;COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O","InChI=1S/C24H20O5/c1-27-18-9-6-15(7-10-18)24-21(14-23(25)26)20-11-8-17(13-22(20)29-24)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3,(H,25,26)","","2020-08-04","2021-08-06","[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid","2021-08-11"],["5P7","(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol","C14 H17 N3 O3","OC[CH]1C[CH](Nc2ncnc3ccccc23)[CH](O)[CH]1O;c1ccc2c(c1)c(ncn2)NC3CC(C(C3O)O)CO","InChI=1S/C14H17N3O3/c18-6-8-5-11(13(20)12(8)19)17-14-9-3-1-2-4-10(9)15-7-16-14/h1-4,7-8,11-13,18-20H,5-6H2,(H,15,16,17)/t8-,11-,12-,13+/m1/s1","","2015-09-22","2016-09-30","(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol","2016-10-05"],["5P8","(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile","C21 H19 F N6 O2","C(#N)c4c3c1cc(c(nc1)N)OC(c2cc(ccc2C(N(Cc3nn4C)C)=O)F)C;C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N;CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F","InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1","","2014-01-15","2016-10-04","(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile","2014-05-28"],["VE8","Non-hydrolasable alarmone analogue","C10 H19 N6 O19 P5","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](N[P](O)(=O)O[P](O)(O)=O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)NP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H19N6O19P5/c11-10-13-7-5(8(18)14-10)12-2-16(7)9-6(17)4(15-36(19,20)33-37(21,22)23)3(32-9)1-31-39(27,28)35-40(29,30)34-38(24,25)26/h2-4,6,9,17H,1H2,(H,27,28)(H,29,30)(H2,15,19,20)(H2,21,22,23)(H2,24,25,26)(H3,11,13,14,18)/t3-,4-,6-,9-/m1/s1","~{N}-[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]-phosphonooxy-phosphonamidic acid","2021-05-11","2022-05-27","~{N}-[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]-phosphonooxy-phosphonamidic acid","2022-06-01"],["VE9","N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","C24 H26 F N5 O4","FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O;CC(C)Oc1nc2nn(cc2cc1C(=O)NC3=CC=CN([CH]4C[CH]4F)C3=O)C56COC(C)(C5)C6;CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6F","InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16?,18-,23-,24-/m0/s1","","2023-09-12","2024-06-21","N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide","2024-06-26"],["5P9","N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide","C15 H11 Cl N2 O2","Clc1ccc(NC(=O)[CH]2CC(=O)c3ccccc23)nc1;c1ccc2c(c1)C(CC2=O)C(=O)Nc3ccc(cn3)Cl","InChI=1S/C15H11ClN2O2/c16-9-5-6-14(17-8-9)18-15(20)12-7-13(19)11-4-2-1-3-10(11)12/h1-6,8,12H,7H2,(H,17,18,20)/t12-/m1/s1","(1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide","2021-07-14","2021-10-01","(1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide","2021-10-06"],["VEA","5-OXA-PROTOPORPHYRIN IX CONTAINING FE","C33 H31 Fe N4 O5","O=C(O)CCC1=C(C2=[n+]4c1cc8c(c(c7C=C5C(=C(c6[o+]c3C(C=C)=C(C(=C2)n3[Fe+2]4([n+]56)n78)C)C)C=C)C)CCC(=O)O)C;Cc1c2C=C3C(=C(C)C4=[N+]3[Fe++]56n2c(C=C7C(=C(C)C(=[N+]57)C=C8[N]6C(=[O+]4)C(=C8C)C=C)CCC(O)=O)c1CCC(O)=O)C=C;Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C","InChI=1S/C33H32N4O5.Fe/c1-7-20-19(6)32-37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(36-26)42-32;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H3-,34,35,36,37,38,39,40,41);/q;+6/p-1/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-;","","2008-11-28","2011-06-07","[10,14-bis(2-carboxyethyl)-4,19-diethenyl-5,9,15,20-tetramethyl-2-oxonia-21,22,23,24-tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaenato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron(5+)",""],["5PA","N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID","C12 H17 N2 O7 P","O=C(O)C2(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC2;Cc1ncc(CO[P](O)(O)=O)c(CNC2(CC2)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O","InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)","N-PYRIDOXYL-1-AMINO-CYCLOPROPANECARBOXYLIC ACID-5-MONOPHOSPHATE","1999-10-21","2020-06-17","1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopropanecarboxylic acid",""],["VEB","[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid","C7 H21 O26 P7","O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C(P(=O)(O)O)P(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4-,5+,6-,7-/m0/s1","PCP-InsP7","2021-05-11","2021-05-14","[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid","2021-05-19"],["5PB","4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one","C23 H18 Cl N3 O3 S","Clc1ccc(cc1)C(=O)CSC2=NNC(=O)N2c3ccc(OCc4ccccc4)cc3;c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl","InChI=1S/C23H18ClN3O3S/c24-18-8-6-17(7-9-18)21(28)15-31-23-26-25-22(29)27(23)19-10-12-20(13-11-19)30-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,29)","","2010-02-01","2011-06-04","3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one",""],["VEC","methyl N-(3-hydroxybenzoyl)-N-methylglycinate","C11 H13 N O4","O=C(c1cc(O)ccc1)N(C)CC(=O)OC;COC(=O)CN(C)C(=O)c1cccc(O)c1;CN(CC(=O)OC)C(=O)c1cccc(c1)O","InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3","","2022-08-29","2022-10-28","methyl N-(3-hydroxybenzoyl)-N-methylglycinate","2022-11-02"],["5PC","5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE","C12 H16 N3 O7 P","O=C1N=C(N)C(C#CC)=CN1C2OC(C(O)C2)COP(=O)(O)O;CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N;CC#CC1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C12H16N3O7P/c1-2-3-7-5-15(12(17)14-11(7)13)10-4-8(16)9(22-10)6-21-23(18,19)20/h5,8-10,16H,4,6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1","","2003-03-11","2011-06-04","2'-deoxy-5-prop-1-yn-1-ylcytidine 5'-(dihydrogen phosphate)",""],["VED","3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid","C24 H18 O6","c4(cccc(c2c(CC(O)=O)c1ccc(cc1o2)c3cc(ccc3)OC)c4)C(O)=O;COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(c4)C(O)=O;COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O","InChI=1S/C24H18O6/c1-29-18-7-3-4-14(11-18)15-8-9-19-20(13-22(25)26)23(30-21(19)12-15)16-5-2-6-17(10-16)24(27)28/h2-12H,13H2,1H3,(H,25,26)(H,27,28)","","2020-08-04","2021-08-06","3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid","2021-08-11"],["5PD","(R)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate","C11 H23 N2 O6 P S","CC(C)(CO[PH](O)=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H23N2O6PS/c1-11(2,7-19-20(17)18)9(15)10(16)13-4-3-8(14)12-5-6-21/h9,15,20-21H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H,17,18)/t9-/m0/s1","","2015-11-04","2016-10-14","[(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphinic acid","2016-10-19"],["VEE","(1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C15 H30 N4 O4","OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NCCCCCCCCN=[N+]=[N-];C1C(C(C(C(C1O)O)O)CO)NCCCCCCCCN=[N+]=[N-]","InChI=1S/C15H30N4O4/c16-19-18-8-6-4-2-1-3-5-7-17-12-9-13(21)15(23)14(22)11(12)10-20/h11-15,17,20-23H,1-10H2/t11-,12-,13+,14+,15+/m0/s1","N-alkyl mannocyclophellitol aziridine","2021-05-11","2024-09-27","(1~{R},2~{R},3~{R},4~{R},5~{S})-5-(8-azidooctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol","2022-02-02"],["5PE","(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one","C16 H16 N2 O3 S","O=C2N(Cc1ncccc1)C(SC2)c3ccc(O)c(OC)c3;COc1cc(ccc1O)[CH]2SCC(=O)N2Cc3ccccn3;COc1cc(ccc1O)C2N(C(=O)CS2)Cc3ccccn3","InChI=1S/C16H16N2O3S/c1-21-14-8-11(5-6-13(14)19)16-18(15(20)10-22-16)9-12-4-2-3-7-17-12/h2-8,16,19H,9-10H2,1H3/t16-/m1/s1","","2015-01-29","2015-10-02","(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one","2015-10-07"],["VEF","(3S)-3-azanyl-2,2-bis(oxidanyl)butanoic acid","C4 H9 N O4","C[CH](N)C(O)(O)C(O)=O;CC(C(C(=O)O)(O)O)N","InChI=1S/C4H9NO4/c1-2(5)4(8,9)3(6)7/h2,8-9H,5H2,1H3,(H,6,7)/t2-/m0/s1","(3S)-3-azanyl-2-oxidanylidene-butanoic acid (precursor); (3S)-3-amino-2-oxobutanoic acid (precursor); (2R,3S)-3-azanyl-2-oxidanyl-butanoic acid (reacted)","2023-03-03","2024-09-27","(3~{S})-3-azanyl-2,2-bis(oxidanyl)butanoic acid","2023-07-19"],["5PF","(1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol","C18 H21 F N2 O","O[CH](C[CH]1n2cncc2c3cccc(F)c13)C4CCCCC4;c1cc-2c(c(c1)F)C(n3c2cnc3)CC(C4CCCCC4)O","InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2/t15-,17+/m0/s1","","2015-11-04","2015-12-18","(1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol","2015-12-23"],["VEG","ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate","C25 H33 N3 O4","N(c1ccc(C(C)(C)C)cc1)(C(C(NCCC(OCC)=O)=O)c2cnccc2)C(=O)CC;CCOC(=O)CCNC(=O)[CH](N(C(=O)CC)c1ccc(cc1)C(C)(C)C)c2cccnc2;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCC(=O)OCC","InChI=1S/C25H33N3O4/c1-6-21(29)28(20-12-10-19(11-13-20)25(3,4)5)23(18-9-8-15-26-17-18)24(31)27-16-14-22(30)32-7-2/h8-13,15,17,23H,6-7,14,16H2,1-5H3,(H,27,31)/t23-/m1/s1","","2020-08-05","2024-09-27","ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate","2020-12-02"],["5PG","(2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid","C9 H11 N O3","O=C(O)C(NC)c1ccc(O)cc1;CN[CH](C(O)=O)c1ccc(O)cc1;CNC(c1ccc(cc1)O)C(=O)O","InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m0/s1","N-METHYL-4-HYDROXY-PHENYLGLYCINE","2010-07-29","2024-09-27","(2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid",""],["VEH","6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide","C29 H37 N7 O4 S2","CN[S](=O)(=O)c1cc(cc2CN([CH](C)C3CC3)C(=O)c12)c4sc(Nc5cccc(n5)C(=O)NCCCN(C)C)nc4C;Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)C(C)C5CC5","InChI=1S/C29H37N7O4S2/c1-17-26(41-29(32-17)34-24-9-6-8-22(33-24)27(37)31-12-7-13-35(4)5)20-14-21-16-36(18(2)19-10-11-19)28(38)25(21)23(15-20)42(39,40)30-3/h6,8-9,14-15,18-19,30H,7,10-13,16H2,1-5H3,(H,31,37)(H,32,33,34)/t18-/m0/s1","","2021-05-11","2021-07-09","6-[[5-[2-[(1~{S})-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]pyridine-2-carboxamide","2021-07-14"],["5PH","5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID","C24 H28 N2 O9 S","O=C(O)c1cc(ccc1O)S(=O)(=O)NCCCCC(c2ccccc2)C(=O)NC(C(=O)C)CC(=O)O;CC(=O)[CH](CC(O)=O)NC(=O)[CH](CCCCN[S](=O)(=O)c1ccc(O)c(c1)C(O)=O)c2ccccc2;CC(=O)C(CC(=O)O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2","InChI=1S/C24H28N2O9S/c1-15(27)20(14-22(29)30)26-23(31)18(16-7-3-2-4-8-16)9-5-6-12-25-36(34,35)17-10-11-21(28)19(13-17)24(32)33/h2-4,7-8,10-11,13,18,20,25,28H,5-6,9,12,14H2,1H3,(H,26,31)(H,29,30)(H,32,33)/t18-,20-/m0/s1","","2004-01-09","2024-09-27","5-{[(5S)-6-{[(1S)-1-(carboxymethyl)-2-oxopropyl]amino}-6-oxo-5-phenylhexyl]sulfamoyl}-2-hydroxybenzoic acid",""],["VEI","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol","C42 H72 O13","CC(C)=CCC[C](C)(O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(C)(C)[CH]5CC[C]34C;CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1","ginsenoside F2","2023-07-15","2025-01-24","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol","2025-01-29"],["5PI","N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE","C29 H39 N7 O6 S","O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2cc(OCCC)ccc2nc3)CCC(=O)N;CCCOc1ccc2[nH]cc(C[CH](N[S](=O)(=O)CC)C(=O)N[CH](CCC(N)=O)C(=O)NCc3ccc(cc3)C(N)=N)c2c1;CCCOc1ccc2c(c1)c(c[nH]2)CC(C(=O)NC(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC","InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1","2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE\n1-(4-CARBAMIMIDOYL-BENZYLAMIDE)","2004-12-17","2020-06-17","N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide",""],["VEJ","N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C24 H33 N3 O3","N(CCCOC)C(=O)C(N(c1ccc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2;CCC(=O)N([CH](C(=O)NCCCOC)c1cccnc1)c2ccc(cc2)C(C)(C)C;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCCOC","InChI=1S/C24H33N3O3/c1-6-21(28)27(20-12-10-19(11-13-20)24(2,3)4)22(18-9-7-14-25-17-18)23(29)26-15-8-16-30-5/h7,9-14,17,22H,6,8,15-16H2,1-5H3,(H,26,29)/t22-/m1/s1","","2020-08-05","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-12-02"],["5PJ","1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone","C18 H19 F N2 O","Fc1cccc2c3cncn3[CH](CC(=O)C4CCCCC4)c12;c1cc-2c(c(c1)F)C(n3c2cnc3)CC(=O)C4CCCCC4","InChI=1S/C18H19FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15H,1-3,5-6,9H2/t15-/m0/s1","","2015-11-04","2015-12-18","1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone","2015-12-23"],["VEK","6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine","C19 H21 Br N8 O","Brc3cnc2nc(c1cncn1C)nc2c3N5CCN(Cc4noc(c4)C)CC5;Cn1cncc1c2[nH]c3c(ncc(Br)c3N4CCN(CC4)Cc5cc(C)on5)n2;Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br","InChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24)","","2012-07-02","2013-03-08","6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine","2013-03-13"],["5PK","(1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol","C18 H22 N2 O","O[CH](C[CH]1n2cncc2c3ccccc13)C4CCCCC4;c1ccc2c(c1)-c3cncn3C2CC(C4CCCCC4)O","InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18+/m0/s1","","2015-11-04","2015-12-18","(1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol","2015-12-23"],["VEL","[4-(difluoromethoxy)phenyl]methanol","C8 H8 F2 O2","FC(F)Oc1ccc(cc1)CO;OCc1ccc(OC(F)F)cc1;c1cc(ccc1CO)OC(F)F","InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2","","2022-08-29","2022-10-28","[4-(difluoromethoxy)phenyl]methanol","2022-11-02"],["5PL","(1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE","C67 H129 N2 O15 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)(O)OC(C(=O)NCCCCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1NC(=O)C)CO)CCCCCCCCCCCCCC(C)C;CCCCCCCCCCCCCCCCCCCNC(=O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O)O[P](O)(=O)OC[CH](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C;CCCCCCCCCCCCCCCCCCCNC(=O)C(COC1C(C(C(C(O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C","InChI=1S/C67H129N2O15P/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-30-35-40-45-50-68-66(76)60(54-80-67-63(69-57(6)71)65(75)64(74)59(51-70)83-67)84-85(77,78)81-53-58(82-62(73)49-44-39-34-29-24-20-22-27-32-37-42-47-56(4)5)52-79-61(72)48-43-38-33-28-23-19-21-26-31-36-41-46-55(2)3/h55-56,58-60,63-65,67,70,74-75H,7-54H2,1-6H3,(H,68,76)(H,69,71)(H,77,78)/t58-,59-,60-,63-,64-,65-,67+/m1/s1","","2011-03-31","2024-09-27","(1R,4S,6R)-6-({[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate",""],["VEM","N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C23 H31 N3 O3","N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)CC;CCC(=O)N([CH](C(=O)NCCOC)c1cccnc1)c2ccc(cc2)C(C)(C)C;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCOC","InChI=1S/C23H31N3O3/c1-6-20(27)26(19-11-9-18(10-12-19)23(2,3)4)21(17-8-7-13-24-16-17)22(28)25-14-15-29-5/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1","","2020-08-05","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-12-02"],["5PM","4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}","C24 H18 N4 S","N(/c3ccc(Sc2ccc(/N=C/c1ncccc1)cc2)cc3)=Cc4ncccc4;S(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4;c1ccnc(c1)C=Nc2ccc(cc2)Sc3ccc(cc3)N=Cc4ccccn4","InChI=1S/C24H18N4S/c1-3-15-25-21(5-1)17-27-19-7-11-23(12-8-19)29-24-13-9-20(10-14-24)28-18-22-6-2-4-16-26-22/h1-18H/b27-17+,28-18+","1,1-Bis(N-(4-phenyl)-2-pyridylcarboxaldimine)thioether","2009-03-17","2020-06-17","4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}",""],["VEN","2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one","C27 H29 N5 O4 S2","C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](C)(=O)=O)c4sc(Nc5cccc(n5)N6CCCC6=O)nc4C;Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)C(C)C6CC6","InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1","141754136; 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one","2021-05-11","2021-07-09","2-[(1~{S})-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3~{H}-isoindol-1-one","2021-07-14"],["5PN","7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one","C8 H7 N O3","O=C1OCc2c1cnc(c2O)C;Cc1ncc2C(=O)OCc2c1O;Cc1c(c2c(cn1)C(=O)OC2)O","InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3","5-Pyridoxolactone","2013-05-08","2021-03-01","7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one","2014-04-09"],["VEO","5-methoxy-1H-indole-2-carboxylic acid","C10 H9 N O3","COc1ccc2[nH]c(cc2c1)C(O)=O;COc1ccc2c(c1)cc([nH]2)C(=O)O","InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)","","2023-03-03","2024-05-03","5-methoxy-1~{H}-indole-2-carboxylic acid","2024-05-08"],["5PP","5-PENTYL-2-PHENOXYPHENOL","C17 H20 O2","O(c1ccccc1)c2ccc(cc2O)CCCCC;CCCCCc1ccc(Oc2ccccc2)c(O)c1;CCCCCc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3","","2005-10-05","2011-06-04","5-pentyl-2-phenoxyphenol",""],["VEP","N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C25 H33 N3 O3","N(C1CCOCC1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)C(=O)CC;CCC(=O)N([CH](C(=O)NC1CCOCC1)c2cccnc2)c3ccc(cc3)C(C)(C)C;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC3CCOCC3","InChI=1S/C25H33N3O3/c1-5-22(29)28(21-10-8-19(9-11-21)25(2,3)4)23(18-7-6-14-26-17-18)24(30)27-20-12-15-31-16-13-20/h6-11,14,17,20,23H,5,12-13,15-16H2,1-4H3,(H,27,30)/t23-/m1/s1","","2020-08-05","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-12-02"],["5PQ","3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione","C15 H17 N6 O7","C[n+]1cn([CH]2O[CH](CNC3=C(O)C(=O)C3=O)[CH](O)[CH]2O)c4N=C(N)NC(=O)c14;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CNC4=C(C(=O)C4=O)O)O)O","InChI=1S/C15H16N6O7/c1-20-3-21(12-6(20)13(27)19-15(16)18-12)14-11(26)7(22)4(28-14)2-17-5-8(23)10(25)9(5)24/h3-4,7,11,14,22,26H,2H2,1H3,(H4-,16,17,18,19,23,24,25,27)/p+1/t4-,7-,11-,14-/m1/s1","","2015-11-04","2016-09-02","3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione","2016-09-07"],["VEQ","N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","C28 H33 N5 O4 S2","C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](=O)(=O)Nc4ccc(CN(C)C)cc4)c5sc(NC(C)=O)nc5C;Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)C(C)C5CC5","InChI=1S/C28H33N5O4S2/c1-16-26(38-28(29-16)30-18(3)34)21-12-22-15-33(17(2)20-8-9-20)27(35)25(22)24(13-21)39(36,37)31-23-10-6-19(7-11-23)14-32(4)5/h6-7,10-13,17,20,31H,8-9,14-15H2,1-5H3,(H,29,30,34)/t17-/m0/s1","","2021-05-11","2021-07-09","~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","2021-07-14"],["5PR","5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid","C8 H9 N O4","O=C(O)c1cnc(c(O)c1CO)C;Cc1ncc(C(O)=O)c(CO)c1O;Cc1c(c(c(cn1)C(=O)O)CO)O","InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)","5-Pyridoxic acid","2010-08-09","2021-03-01","5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid",""],["VER","IRON-OCTAETHYLPORPHYRIN","C30 H27 Fe N4 O3","O=C(O)CCC1=C(C)C2=CC3=[N+]4C(=[O+]c5c(C=C)c(C)c6C=C7[N+]8=C(C=C1N2[Fe]84n65)C=C7C)C(C)=C3C=C;CC1=CC2=[N+]3C1=Cc4n5c([O+]=C6C(=C(C=C)C7=[N+]6[Fe]35[N]8C(=C7)C(=C(CCC(O)=O)C8=C2)C)C)c(C=C)c4C;Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8)C)C)C=C)C(=C3C=C)C","InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29;/h7-8,11-14H,1-2,9-10H2,3-6H3,(H2-,31,32,33,34,35,36);/q;+4/p-1/b19-12-,23-13-,24-14-,25-13-,26-12-,27-14-;","VERDOHEME","2004-07-28","2025-11-10","(SP-4-2)-[(21R,23R)-10-(2-carboxyethyl)-5,20-diethenyl-4,9,15,19-tetramethyl-2-oxa-21,22,23,24-tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-2-ium-21,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]iron(3+)",""],["5PS","(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide","C29 H22 F2 N4 O2","Fc1cccc(c1)c2ccc(c(F)c2)C(=O)NC(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5;Fc1cccc(c1)c2ccc(C(=O)N[CH](Cc3c[nH]c4ccccc34)C(=O)Nc5ccncc5)c(F)c2;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F","InChI=1S/C29H22F2N4O2/c30-21-5-3-4-18(14-21)19-8-9-24(25(31)15-19)28(36)35-27(29(37)34-22-10-12-32-13-11-22)16-20-17-33-26-7-2-1-6-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m1/s1","","2013-07-16","2014-09-05","3,3'-difluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide","2014-01-22"],["VES","Pyrrolidine","C4 H9 N","N1CCCC1;C1CCNC1;C1CCNC1","InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2","","2013-04-23","2024-09-27","pyrrolidine","2013-05-01"],["5PT","2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide","C21 H16 F2 N2 O2","Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F;Cc1ccccc1NC(=O)c2cccc(c2F)C(=O)Nc3ccc(cc3)F","InChI=1S/C21H16F2N2O2/c1-13-5-2-3-8-18(13)25-21(27)17-7-4-6-16(19(17)23)20(26)24-15-11-9-14(22)10-12-15/h2-12H,1H3,(H,24,26)(H,25,27)","","2021-08-24","2024-09-06","2-fluoranyl-~{N}1-(4-fluorophenyl)-~{N}3-(2-methylphenyl)benzene-1,3-dicarboxamide","2024-09-11"],["VET","[(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE","C10 H17 N2 O8 P","C[C]1(O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)C(=O)NC1=O;CC1(C(=O)NC(=O)N1C2CC(C(C2)O)COP(=O)(O)O)O","InChI=1S/C10H17N2O8P/c1-10(16)8(14)11-9(15)12(10)6-2-5(7(13)3-6)4-20-21(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6-,7+,10-/m1/s1","","2010-11-25","2024-09-27","[(1R,2S,4R)-2-hydroxy-4-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate",""],["5PU","4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid","C13 H15 N O6","ONC(=O)CC[CH](Cc1ccc(cc1)C(O)=O)C(O)=O;c1cc(ccc1CC(CCC(=O)NO)C(=O)O)C(=O)O","InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1","JHU242","2015-11-05","2021-03-01","4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid","2016-04-27"],["VEU","~{N}-(1-cyclopropyl-2-oxidanylidene-pyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide","C24 H27 N5 O4","O=C1N(C=CC=C1NC(=O)c1cn2cc(nc2nc1OC(C)C)C12CC(C)(C1)OC2)C1CC1;CC(C)Oc1nc2nc(cn2cc1C(=O)NC3=CC=CN(C4CC4)C3=O)C56COC(C)(C5)C6;CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6","InChI=1S/C24H27N5O4/c1-14(2)33-20-16(19(30)25-17-5-4-8-29(21(17)31)15-6-7-15)9-28-10-18(26-22(28)27-20)24-11-23(3,12-24)32-13-24/h4-5,8-10,14-15H,6-7,11-13H2,1-3H3,(H,25,30)/t23-,24-","","2023-09-12","2024-06-21","(4R)-N-(1-cyclopropyl-2-oxo-1,2-dihydropyridin-3-yl)-2-[(1S,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide","2024-06-26"],["5PV","5-PHENYLVALERIC ACID","C11 H14 O2","O=C(O)CCCCc1ccccc1;OC(=O)CCCCc1ccccc1;c1ccc(cc1)CCCCC(=O)O","InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)","","1999-07-08","2024-09-27","5-phenylpentanoic acid",""],["VEV","N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C21 H27 N3 O2","N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)(C)C)C(CC)=O;CCC(=O)N([CH](C(=O)NC)c1cccnc1)c2ccc(cc2)C(C)(C)C;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC","InChI=1S/C21H27N3O2/c1-6-18(25)24(17-11-9-16(10-12-17)21(2,3)4)19(20(26)22-5)15-8-7-13-23-14-15/h7-14,19H,6H2,1-5H3,(H,22,26)/t19-/m1/s1","","2020-08-05","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-12-02"],["5PW","N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide","C9 H7 N3 O3 S","CC(=O)Nc1sc2cc(ccc2n1)[N+]([O-])=O;CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-]","InChI=1S/C9H7N3O3S/c1-5(13)10-9-11-7-3-2-6(12(14)15)4-8(7)16-9/h2-4H,1H3,(H,10,11,13)","","2015-06-17","2016-06-24","N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide","2016-06-29"],["VEW","N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","C26 H28 N4 O6 S3","C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](=O)(=O)Nc4cccc(c4)[S](C)(=O)=O)c5sc(NC(C)=O)nc5C;Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)C(C)C5CC5","InChI=1S/C26H28N4O6S3/c1-14-24(37-26(27-14)28-16(3)31)18-10-19-13-30(15(2)17-8-9-17)25(32)23(19)22(11-18)39(35,36)29-20-6-5-7-21(12-20)38(4,33)34/h5-7,10-12,15,17,29H,8-9,13H2,1-4H3,(H,27,28,31)/t15-/m0/s1","","2021-05-12","2021-07-09","~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","2021-07-14"],["5PX","4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide","C10 H12 N2 O3 S","Oc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3;c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3","InChI=1S/C10H12N2O3S/c13-8-3-4-9-10(5-8)16(14,15)11-6-12(9)7-1-2-7/h3-5,7,11,13H,1-2,6H2","BPAM-521","2015-11-05","2020-06-17","4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-7-ol","2016-05-04"],["VEX","(2,3,4-trimethoxyphenyl)methanol","C10 H14 O4","COc1c(OC)c(ccc1OC)CO;COc1ccc(CO)c(OC)c1OC;COc1ccc(c(c1OC)OC)CO","InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3","","2022-08-29","2022-10-28","(2,3,4-trimethoxyphenyl)methanol","2022-11-02"],["5PY","1-(2'-DEOXY-5'-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYLPYRIMIDIN-2(1H)-ONE","C10 H15 N2 O7 P","O=P(O)(O)OCC2OC(N1C(=O)N=CC(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1;CC1=CN(C(=O)N=C1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O7P/c1-6-3-11-10(14)12(4-6)9-2-7(13)8(19-9)5-18-20(15,16)17/h3-4,7-9,13H,2,5H2,1H3,(H2,15,16,17)/t7-,8+,9+/m0/s1","","2006-10-12","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one",""],["VEY","N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","C22 H29 N3 O2","N(c1ccc(C(C)(C)C)cc1)(C(CC)=O)C(c2cccnc2)C(NCC)=O;CCNC(=O)[CH](N(C(=O)CC)c1ccc(cc1)C(C)(C)C)c2cccnc2;CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCC","InChI=1S/C22H29N3O2/c1-6-19(26)25(18-12-10-17(11-13-18)22(3,4)5)20(21(27)24-7-2)16-9-8-14-23-15-16/h8-15,20H,6-7H2,1-5H3,(H,24,27)/t20-/m1/s1","","2020-08-05","2024-09-27","N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide","2020-12-02"],["5PZ","(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol","C23 H21 Cl2 N3 O","Cc1ccccc1CN2C(=N)N(C[CH](O)c3ccc(Cl)c(Cl)c3)c4ccccc24;Cc1ccccc1CN2c3ccccc3N(C2=N)CC(c4ccc(c(c4)Cl)Cl)O","InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3/b26-23-/t22-/m0/s1","","2015-11-06","2016-03-04","(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol","2016-03-09"],["VF0","(2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid","C20 H38 N O9 P","CCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O;CCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O","InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/t17-,18-/m1/s1","","2023-07-21","2023-10-20","(2~{R})-2-azanyl-3-[oxidanyl-[(2~{R})-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid","2023-10-25"],["5Q0","quinolin-5-ol","C9 H7 N O","Oc1cccc2ncccc12;c1cc2c(cccn2)c(c1)O","InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H","","2015-11-07","2016-06-03","quinolin-5-ol","2016-06-08"],["VF1","(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol","C28 H32 N2 O2","C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC;CO[C]12C=C[C]34C[C]1(C)[CH](N[CH]2[C]35CCN(C)[CH]4Cc6ccc(O)cc56)c7ccccc7;CC12CC34C=CC1(C(C35CCN(C4Cc6c5cc(cc6)O)C)NC2c7ccccc7)OC","InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1","BU72","2020-08-05","2021-03-01","(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol","2021-02-10"],["5Q1","4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid","C13 H15 N O6","ONC(=O)CC[CH](Cc1ccc(cc1)C(O)=O)C(O)=O;c1cc(ccc1CC(CCC(=O)NO)C(=O)O)C(=O)O","InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1","","2015-11-07","2016-04-22","4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid","2016-04-27"],["VF2","4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline","C22 H30 Cl N2","CN(C)c1ccc(C=Cc2cc[n+](CCCCCCCCl)cc2)cc1;CN(C)c1ccc(cc1)C=Cc2cc[n+](cc2)CCCCCCCCl","InChI=1S/C22H30ClN2/c1-24(2)22-12-10-20(11-13-22)8-9-21-14-18-25(19-15-21)17-7-5-3-4-6-16-23/h8-15,18-19H,3-7,16-17H2,1-2H3/q+1","","2021-05-12","2024-09-27","4-[(~{E})-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-aniline","2021-07-21"],["5Q2","4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide","C25 H28 Cl N5 O2","CN1CCN(CC1)c2ccc(NC(=O)C3=C(NCCc4ccc(Cl)cc4)C=CNC3=O)cc2;CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl","InChI=1S/C25H28ClN5O2/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)29-25(33)23-22(11-13-28-24(23)32)27-12-10-18-2-4-19(26)5-3-18/h2-9,11,13H,10,12,14-17H2,1H3,(H,29,33)(H2,27,28,32)","","2015-11-09","2015-12-24","4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide","2015-12-29"],["VF3","4-(thiophene-2-sulfonyl)morpholine","C8 H11 N O3 S2","O=S(=O)(N1CCOCC1)c1cccs1;O=[S](=O)(N1CCOCC1)c2sccc2;c1cc(sc1)S(=O)(=O)N2CCOCC2","InChI=1S/C8H11NO3S2/c10-14(11,8-2-1-7-13-8)9-3-5-12-6-4-9/h1-2,7H,3-6H2","","2022-08-29","2022-10-28","4-(thiophene-2-sulfonyl)morpholine","2022-11-02"],["5Q3","4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide","C21 H24 N8 O2","CN1CCN(CC1)c2ccc(NC(=O)C3=C(Nc4ccnc(N)n4)C=CNC3=O)cc2;CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N","InChI=1S/C21H24N8O2/c1-28-10-12-29(13-11-28)15-4-2-14(3-5-15)25-20(31)18-16(6-8-23-19(18)30)26-17-7-9-24-21(22)27-17/h2-9H,10-13H2,1H3,(H,25,31)(H4,22,23,24,26,27,30)","","2015-11-09","2015-12-24","4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide","2015-12-29"],["VF4","(1R,3S)-3-methylcyclohexan-1-ol","C7 H14 O","C1(CCCC(C1)C)O;C[CH]1CCC[CH](O)C1;CC1CCCC(C1)O","InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1","","2020-08-06","2020-08-28","(1R,3S)-3-methylcyclohexan-1-ol","2020-09-02"],["5Q4","4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide","C24 H27 N5 O3","COc1ccccc1NC2=C(C(=O)NC=C2)C(=O)Nc3ccc(cc3)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC","InChI=1S/C24H27N5O3/c1-28-13-15-29(16-14-28)18-9-7-17(8-10-18)26-24(31)22-20(11-12-25-23(22)30)27-19-5-3-4-6-21(19)32-2/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)","","2015-11-09","2015-12-24","4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide","2015-12-29"],["5Q5","1-(2-methylphenyl)thiourea","C8 H10 N2 S","Cc1ccccc1NC(N)=S;Cc1ccccc1NC(=S)N","InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)","","2015-11-09","2016-04-22","1-(2-methylphenyl)thiourea","2016-04-27"],["VF5","[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H15 N5 O16 P4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34;c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N","InChI=1S/C10H15N5O16P4/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(28-34(22,23)29-6)3(27-9)1-26-33(20,21)31-35(24,25)30-32(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1","","2021-05-13","2022-05-27","[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2022-06-01"],["VF6","~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide","C17 H21 N5 O","CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3;CC(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)CCC3CC3","InChI=1S/C17H21N5O/c1-10(23)20-13-7-5-12(6-8-13)15-14(9-4-11-2-3-11)16(18)22-17(19)21-15/h5-8,11H,2-4,9H2,1H3,(H,20,23)(H4,18,19,21,22)","","2023-03-06","2024-03-08","~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide","2024-03-13"],["5Q6","[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone","C18 H12 F N O4","Oc1cccc(c1O)C(=O)c2cccc(n2)c3cccc(O)c3F;c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O","InChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H","","2015-11-09","2016-11-18","[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone","2016-11-23"],["VF8","(3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one","C33 H41 Cl N2 O5 S","CO[CH]1C=CC[CH](C)[CH](C)[S](=O)(=O)NC(=O)c2ccc3OC[C]4(CCCc5cc(Cl)ccc45)C[N](C[CH]6CC[CH]16)c3c2;CC1CC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)C1C)OC","InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1","","2021-05-13","2023-05-19","","2023-05-24"],["5Q7","5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile","C8 H11 N3 O","CC(C)Cc1oc(N)c(n1)C#N;CC(C)Cc1nc(c(o1)N)C#N","InChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3","","2015-11-09","2016-04-22","5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile","2016-04-27"],["5Q8","5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile","C11 H9 N3 O","Nc1oc(Cc2ccccc2)nc1C#N;c1ccc(cc1)Cc2nc(c(o2)N)C#N","InChI=1S/C11H9N3O/c12-7-9-11(13)15-10(14-9)6-8-4-2-1-3-5-8/h1-5H,6,13H2","","2015-11-09","2016-04-22","5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile","2016-04-27"],["VF9","1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one","C12 H17 N O2","CC(=O)N1CCCCCC1c1ccco1;CC(=O)N1CCCCC[CH]1c2occc2;CC(=O)N1CCCCCC1c2ccco2","InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1","","2022-08-29","2022-10-28","1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one","2022-11-02"],["5Q9","~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide","C10 H11 Cl2 N O","CN(Cc1c(Cl)cccc1Cl)C(C)=O;CC(=O)N(C)Cc1c(cccc1Cl)Cl","InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3","","2015-11-09","2016-04-22","~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide","2016-04-27"],["VFA","N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide","C21 H18 N2 O3","c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O;COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1;COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4","InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)","","2020-08-06","2020-08-28","N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide","2020-09-02"],["VFB","3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium","C8 H7 N4","n3[n+]2c1ccccc1nc2nc3;[nH]1cn[n+]2c1[nH]c3ccccc23;c1ccc2c(c1)[nH]c3[n+]2nc[nH]3","InChI=1S/C8H6N4/c1-2-4-7-6(3-1)11-8-9-5-10-12(7)8/h1-5H,(H,9,10,11)/p+1","","2012-10-08","2013-06-21","3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium","2013-06-26"],["5QA","~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide","C9 H9 Cl2 N O2","OCC(=O)NCc1c(Cl)cccc1Cl;c1cc(c(c(c1)Cl)CNC(=O)CO)Cl","InChI=1S/C9H9Cl2NO2/c10-7-2-1-3-8(11)6(7)4-12-9(14)5-13/h1-3,13H,4-5H2,(H,12,14)","","2015-11-09","2016-04-22","~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide","2016-04-27"],["H78","[1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid","C34 H36 N2 O18 P4 S2","O=S(=O)(Nc2cc(c1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O)ccc2)c3cccc(c3)S(=O)(=O)Nc5cc(c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O)ccc5;OC(Cc1cccc(c1)c2cccc(N[S](=O)(=O)c3cccc(c3)[S](=O)(=O)Nc4cccc(c4)c5cccc(CC(O)([P](O)(O)=O)[P](O)(O)=O)c5)c2)([P](O)(O)=O)[P](O)(O)=O;c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C34H36N2O18P4S2/c37-33(55(39,40)41,56(42,43)44)21-23-6-1-8-25(16-23)27-10-3-12-29(18-27)35-59(51,52)31-14-5-15-32(20-31)60(53,54)36-30-13-4-11-28(19-30)26-9-2-7-24(17-26)22-34(38,57(45,46)47)58(48,49)50/h1-20,35-38H,21-22H2,(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)","","2014-09-23","2015-01-30","{benzene-1,3-diylbis[sulfonyliminobiphenyl-3',3-diyl(1-hydroxyethane-2,1,1-triyl)]}tetrakis(phosphonic acid)","2015-02-04"],["5QB","~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide","C11 H15 N O3","COc1cccc(OC)c1CNC(C)=O;CC(=O)NCc1c(cccc1OC)OC","InChI=1S/C11H15NO3/c1-8(13)12-7-9-10(14-2)5-4-6-11(9)15-3/h4-6H,7H2,1-3H3,(H,12,13)","","2015-11-09","2016-04-22","~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide","2016-04-27"],["H79","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1H-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron","C20 H15 Fe N4 O2","C[CH]1N[CH]([CH](O)[CH]1O)c2cn(CC=CC3([Fe])CCCC3)nn2.C4CCCC4;CC1C(C(C(N1)c2cn(nn2)CC=CC34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O","InChI=1S/C15H19N4O2.C5H5.Fe/c1-10-14(20)15(21)13(16-10)12-9-19(18-17-12)8-4-7-11-5-2-3-6-11;1-2-4-5-3-1;/h2-7,9-10,13-16,20-21H,8H2,1H3;1-5H;/b7-4+;;/t10-,13-,14+,15-;;/m0../s1","","2016-01-13","2016-01-29","[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1H-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron","2016-02-03"],["5QC","1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE","C31 H27 F3 N6 O3","FC(F)(F)c7nn(c2cc1c(onc1N)cc2)c6C(=O)N(c5ccc(c3ccccc3CN4CCC(O)C4)cc5)CCc67;Nc1noc2ccc(cc12)n3nc(c4CCN(C(=O)c34)c5ccc(cc5)c6ccccc6CN7CC[CH](O)C7)C(F)(F)F;c1ccc(c(c1)CN2CCC(C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O","InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1","","2006-04-06","2011-06-04","1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one",""],["H7A","4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid","C16 H16 F N O6 S","C2CC(c1c(ccc(c1)F)O2)NS(c3c(c(C)oc3C)C(O)=O)(=O)=O;Cc1oc(C)c(c1C(O)=O)[S](=O)(=O)N[CH]2CCOc3ccc(F)cc23;Cc1c(c(c(o1)C)S(=O)(=O)NC2CCOc3c2cc(cc3)F)C(=O)O","InChI=1S/C16H16FNO6S/c1-8-14(16(19)20)15(9(2)24-8)25(21,22)18-12-5-6-23-13-4-3-10(17)7-11(12)13/h3-4,7,12,18H,5-6H2,1-2H3,(H,19,20)/t12-/m1/s1","","2018-06-11","2018-06-29","4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid","2018-07-04"],["5QD","~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide","C9 H9 Cl2 N O","CC(=O)NCc1c(Cl)cccc1Cl;CC(=O)NCc1c(cccc1Cl)Cl","InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13)","","2015-11-09","2016-04-22","~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide","2016-04-27"],["H7B","2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone","C27 H31 Cl N6 O2","COc1ccc2n3c(C)nnc3[CH](CC(=O)N4CCC(CC4)N(C)C)N=C(c5ccc(Cl)cc5)c2c1;Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC","InChI=1S/C27H31ClN6O2/c1-17-30-31-27-23(16-25(35)33-13-11-20(12-14-33)32(2)3)29-26(18-5-7-19(28)8-6-18)22-15-21(36-4)9-10-24(22)34(17)27/h5-10,15,20,23H,11-14,16H2,1-4H3/t23-/m0/s1","","2018-11-19","2019-11-22","2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone","2019-11-27"],["5QE","~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide","C27 H34 N4 O3 S","C[CH]1CN(C[CH](C)O1)c2nc(SCCc3ccc(NC(C)=O)cc3)c(C#N)c4CC(C)(C)OCc24;CC1CN(CC(O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C","InChI=1S/C27H34N4O3S/c1-17-14-31(15-18(2)34-17)25-24-16-33-27(4,5)12-22(24)23(13-28)26(30-25)35-11-10-20-6-8-21(9-7-20)29-19(3)32/h6-9,17-18H,10-12,14-16H2,1-5H3,(H,29,32)/t17-,18+","","2015-11-10","2016-04-01","~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide","2016-04-06"],["H7C","2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine","C20 H22 N2 O2 S","COc1ccc2nc3ccc(OC)cc3c(SC4CCNCC4)c2c1;COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4","InChI=1S/C20H22N2O2S/c1-23-13-3-5-18-16(11-13)20(25-15-7-9-21-10-8-15)17-12-14(24-2)4-6-19(17)22-18/h3-6,11-12,15,21H,7-10H2,1-2H3","","2020-11-24","2021-11-12","2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine","2021-11-17"],["5QF","6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile","C28 H38 N4 O4 S","COCCN1CCN(CC1)c2nc(SCCc3ccc(OC)c(OC)c3)c(C#N)c4CC(C)(C)OCc24;CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C","InChI=1S/C28H38N4O4S/c1-28(2)17-21-22(18-29)27(37-15-8-20-6-7-24(34-4)25(16-20)35-5)30-26(23(21)19-36-28)32-11-9-31(10-12-32)13-14-33-3/h6-7,16H,8-15,17,19H2,1-5H3","","2015-11-10","2016-04-01","6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile","2016-04-06"],["H7D","(1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid","C13 H24 N2 O4 S","N(C1C(C(O)=O)CCCCCC1)S(N2CCCC2)(=O)=O;OC(=O)[CH]1CCCCCC[CH]1N[S](=O)(=O)N2CCCC2;C1CCCC(C(CC1)C(=O)O)NS(=O)(=O)N2CCCC2","InChI=1S/C13H24N2O4S/c16-13(17)11-7-3-1-2-4-8-12(11)14-20(18,19)15-9-5-6-10-15/h11-12,14H,1-10H2,(H,16,17)/t11-,12+/m1/s1","","2018-06-11","2018-06-29","(1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid","2018-07-04"],["5QG","3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile","C23 H27 N3 O2 S","CC1(C)Cc2c(CO1)c(nc(SCCc3ccccc3)c2C#N)N4CCOCC4;CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C","InChI=1S/C23H27N3O2S/c1-23(2)14-18-19(15-24)22(29-13-8-17-6-4-3-5-7-17)25-21(20(18)16-28-23)26-9-11-27-12-10-26/h3-7H,8-14,16H2,1-2H3","","2015-11-10","2016-04-01","3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile","2016-04-06"],["H7E","[1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium","C34 H39 Cl N7 O2","COc1ccc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)N=C(c6ccc(Cl)cc6)c2c1;Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC","InChI=1S/C34H38ClN7O2/c1-22-38-39-34-30(21-32(43)36-25-10-12-26(13-11-25)40-18-16-27(17-19-40)42(2,3)4)37-33(23-6-8-24(35)9-7-23)29-20-28(44-5)14-15-31(29)41(22)34/h6-15,20,27,30H,16-19,21H2,1-5H3/p+1/t30-/m0/s1","","2018-11-19","2019-11-22","[1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium","2019-11-27"],["5QH","~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide","C24 H25 N3 O2","O[CH](CNC(=O)c1cccc(c1)c2ccccn2)CN3CCc4ccccc4C3;c1ccc2c(c1)CCN(C2)CC(CNC(=O)c3cccc(c3)c4ccccn4)O","InChI=1S/C24H25N3O2/c28-22(17-27-13-11-18-6-1-2-7-21(18)16-27)15-26-24(29)20-9-5-8-19(14-20)23-10-3-4-12-25-23/h1-10,12,14,22,28H,11,13,15-17H2,(H,26,29)/t22-/m0/s1","","2015-11-10","2016-02-19","~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide","2016-02-24"],["H7F","[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol","C22 H26 N2 O3 S","COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CCNCC4)c2c1;COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4","InChI=1S/C22H26N2O3S/c1-26-16-3-4-20-18(10-16)22(28-13-14-5-7-23-8-6-14)19-11-17(27-2)9-15(12-25)21(19)24-20/h3-4,9-11,14,23,25H,5-8,12-13H2,1-2H3","","2020-11-24","2021-11-12","[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol","2021-11-17"],["5QI","N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide","C16 H19 F2 N3 O3","CC(C)CC(N)C(=O)Nc1cc(OC(F)F)c(cc1)c1cnco1;CC(C)C[CH](N)C(=O)Nc1ccc(c2ocnc2)c(OC(F)F)c1;CC(C)CC(C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N","InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1","","2021-07-21","2022-02-18","N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide","2022-02-23"],["H7G","(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid","C14 H12 Cl N O5 S","c1c(c(O)c(cc1)Cl)S(Nc2cc(CC(=O)O)ccc2)(=O)=O;OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1;c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O","InChI=1S/C14H12ClNO5S/c15-11-5-2-6-12(14(11)19)22(20,21)16-10-4-1-3-9(7-10)8-13(17)18/h1-7,16,19H,8H2,(H,17,18)","","2018-06-11","2018-06-29","(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid","2018-07-04"],["5QJ","(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol","C25 H27 N5 O","Cn1cnc2ccc(cc12)c3ccnc(NC[CH](O)CN4CCc5ccccc5C4)c3;Cn1cnc2c1cc(cc2)c3ccnc(c3)NCC(CN4CCc5ccccc5C4)O","InChI=1S/C25H27N5O/c1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30/h2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27)/t22-/m0/s1","","2015-11-10","2016-02-19","(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol","2016-02-24"],["H7I","(4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid","C12 H21 N3 O4","CN[CH](CCC(O)=O)C(=O)N1CCC[CH]1CC(N)=O;CNC(CCC(=O)O)C(=O)N1CCCC1CC(=O)N","InChI=1S/C12H21N3O4/c1-14-9(4-5-11(17)18)12(19)15-6-2-3-8(15)7-10(13)16/h8-9,14H,2-7H2,1H3,(H2,13,16)(H,17,18)/t8-,9-/m0/s1","","2022-05-20","2024-09-27","(4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid","2022-06-29"],["5QK","~{N}-[(2~{R})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide","C23 H25 N3 O3","O[CH](CNC(=O)COc1cccc2cccnc12)CN3CCc4ccccc4C3;c1ccc2c(c1)CCN(C2)CC(CNC(=O)COc3cccc4c3nccc4)O","InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m1/s1","","2015-11-10","2016-02-19","~{N}-[(2~{R})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide","2016-02-24"],["H7J","N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE","C21 H28 N4 O2","O=C(C(n1nnc(c1)C(NC(=O)c2ccccc2)(C)C(C)C)C/C=C/C)C;CC=CC[CH](n1cc(nn1)[C](C)(NC(=O)c2ccccc2)C(C)C)C(C)=O;CC=CCC(C(=O)C)n1cc(nn1)C(C)(C(C)C)NC(=O)c2ccccc2","InChI=1S/C21H28N4O2/c1-6-7-13-18(16(4)26)25-14-19(23-24-25)21(5,15(2)3)22-20(27)17-11-9-8-10-12-17/h6-12,14-15,18H,13H2,1-5H3,(H,22,27)/b7-6+/t18-,21+/m1/s1","","2006-06-12","2024-09-27","N-[(1S)-1-{1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide",""],["5QL","~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide","C24 H31 N3 O3","O[CH](CNC(=O)c1cccc(NC2CCOCC2)c1)CN3CCc4ccccc4C3;c1ccc2c(c1)CCN(C2)CC(CNC(=O)c3cccc(c3)NC4CCOCC4)O","InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1","","2015-11-10","2016-02-19","~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide","2016-02-24"],["H7K","methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate","C23 H25 N3 O4","O=C(OC)c5oc(c1c3c(nn1)c2ccc(cc2C3)CNC4CCC(O)CC4)cc5;COC(=O)c1oc(cc1)c2[nH]nc3c2Cc4cc(CN[CH]5CC[CH](O)CC5)ccc34;COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O","InChI=1S/C23H25N3O4/c1-29-23(28)20-9-8-19(30-20)22-18-11-14-10-13(2-7-17(14)21(18)25-26-22)12-24-15-3-5-16(27)6-4-15/h2,7-10,15-16,24,27H,3-6,11-12H2,1H3,(H,25,26)/t15-,16+","","2012-07-03","2012-08-17","methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate",""],["5QM","3-(isoquinolin-7-yl)prop-2-yn-1-ol","C12 H9 N O","OCC#Cc1cc2c(cc1)ccnc2;OCC#Cc1ccc2ccncc2c1;c1cc(cc2c1ccnc2)C#CCO","InChI=1S/C12H9NO/c14-7-1-2-10-3-4-11-5-6-13-9-12(11)8-10/h3-6,8-9,14H,7H2","","2014-05-20","2014-10-03","3-(isoquinolin-7-yl)prop-2-yn-1-ol","2014-10-08"],["H7L","[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol","C20 H22 N2 O3 S","COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CNC4)c2c1;COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4","InChI=1S/C20H22N2O3S/c1-24-14-3-4-18-16(6-14)20(26-11-12-8-21-9-12)17-7-15(25-2)5-13(10-23)19(17)22-18/h3-7,12,21,23H,8-11H2,1-2H3","","2020-11-24","2021-11-12","[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol","2021-11-17"],["5QN","methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate","C25 H29 N3 O6","CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCN=CC3)c(c2)C(=O)OC)C(C)=O;CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C","InChI=1S/C25H29N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-9,15-16H,4,10-14H2,1-3H3,(H,27,30)","","2015-11-10","2016-11-18","methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate","2016-11-23"],["H7M","3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide","C15 H13 Cl N4 O3 S2","c2cc(c(NS(c1c(c(ccc1)Cl)O)(=O)=O)cc2)Sc3n(C)cnn3;Cn1cnnc1Sc2ccccc2N[S](=O)(=O)c3cccc(Cl)c3O;Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl","InChI=1S/C15H13ClN4O3S2/c1-20-9-17-18-15(20)24-12-7-3-2-6-11(12)19-25(22,23)13-8-4-5-10(16)14(13)21/h2-9,19,21H,1H3","","2018-06-11","2018-06-29","3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide","2018-07-04"],["5QO"," macrocyclic quinoxaline-pyrrolodihydropiperidinone","C21 H21 N5 O","C[CH]1Nc2nc3c(cccc3c4[nH]c5[CH](CNC(=O)c5c4)CC=C1)nc2C;Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)C(CC=CC(N2)C)CNC5=O","InChI=1S/C21H21N5O/c1-11-5-3-6-13-10-22-21(27)15-9-17(25-18(13)15)14-7-4-8-16-19(14)26-20(23-11)12(2)24-16/h3-5,7-9,11,13,25H,6,10H2,1-2H3,(H,22,27)(H,23,26)/b5-3-/t11-,13+/m1/s1","","2015-11-10","2016-04-29","","2016-05-04"],["H7N","butoxy(hexyl)phosphinic acid","C10 H23 O3 P","CCCCCC[P](O)(=O)OCCCC;CCCCCCP(=O)(O)OCCCC","InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)","","2018-11-20","2024-09-27","butoxy(hexyl)phosphinic acid","2019-11-27"],["5QP","(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside","C13 H24 O10","OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O)CO)O","InChI=1S/C13H24O10/c14-2-4-5(16)1-6(17)8(18)12(4)23-13-11(21)10(20)9(19)7(3-15)22-13/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9+,10-,11+,12+,13+/m0/s1","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida\nnyl)cyclohexyl]oxy-oxane-3,4,5-triol; gluosyl epi-cyclophellitol (bound form);\n(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucoside;\n(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl D-glucoside;\n(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl glucoside","2015-11-10","2024-09-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida\nnyl)cyclohexyl]oxy-oxane-3,4,5-triol","2016-07-06"],["H7O","2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine","C27 H28 N2 O2 S","COc1ccc2nc3ccc(OCc4ccccc4)cc3c(SCC5CCNCC5)c2c1;COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5","InChI=1S/C27H28N2O2S/c1-30-21-7-9-25-23(15-21)27(32-18-20-11-13-28-14-12-20)24-16-22(8-10-26(24)29-25)31-17-19-5-3-2-4-6-19/h2-10,15-16,20,28H,11-14,17-18H2,1H3","","2020-11-24","2021-11-12","2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine","2021-11-17"],["5QQ","6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline","C20 H11 F3 N6","Fc1ccc(cc1)c2cnc3nnc(n3n2)C(F)(F)c4ccc5ncccc5c4;c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F","InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H","","2015-11-11","2016-10-14","6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline","2016-10-19"],["H7P","(2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide","C24 H24 Cl F N2 O","C3(c2c1c(ccc(c1)F)ncc2)CCC(CC3)C(C(Nc4ccc(cc4)Cl)=O)C;C[CH]([CH]1CC[CH](CC1)c2ccnc3ccc(F)cc23)C(=O)Nc4ccc(Cl)cc4;CC(C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl","InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1","","2018-06-12","2018-11-02","(2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide","2018-11-07"],["5QR","3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid","C14 H12 N2 O4","CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(O)=O;CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O","InChI=1S/C14H12N2O4/c1-16-8-10(5-6-12(16)17)13(18)15-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,15,18)(H,19,20)","","2015-11-11","2016-11-18","3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid","2016-11-23"],["H7Q","5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine","C27 H33 N3 O2","NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC5CC5)cc2C16CCCC6;c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N","InChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29)","","2018-11-20","2018-11-30","5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine","2018-12-05"],["5QS","1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol","C21 H25 N7 O","CC(C)(O)CNc1ncc(c(CC2CC2)n1)c3ccnc(Nc4ccncc4)n3;CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O","InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)","","2015-11-11","2016-11-11","1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol","2016-11-16"],["H7R","7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline","C18 H21 N3 O S3","COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1;COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4","InChI=1S/C18H21N3OS3/c1-22-12-3-4-14-13(9-12)16(24-10-11-5-7-19-8-6-11)15-17(20-14)25-18(21-15)23-2/h3-4,9,11,19H,5-8,10H2,1-2H3","","2020-11-24","2021-11-12","7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline","2021-11-17"],["5QT","2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate","C10 H16 N4 O3 S","CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S;CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S","InChI=1S/C10H16N4O3S/c1-10(2,3)5-17-6(15)4-11-7-8(18)12-9(16)14-13-7/h4-5H2,1-3H3,(H,11,13)(H2,12,14,16,18)","","2015-11-11","2020-06-27","2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate","2016-04-20"],["H7S","(3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione","C12 H9 F N2 O2","C1(C(NC(=O)C1)=O)c2cnc3c2cc(cc3)F;Fc1ccc2[nH]cc([CH]3CC(=O)NC3=O)c2c1;c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O","InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m0/s1","","2018-06-13","2019-12-27","(3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione","2020-01-01"],["5QU","(2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine","C19 H19 F2 N5 O S","Cc1onc(C)c1[CH]2C[CH](N[CH](N)S2)c3cc(c(F)cc3F)c4cncnc4;Cc1c(c(on1)C)C2CC(NC(S2)N)c3cc(c(cc3F)F)c4cncnc4","InChI=1S/C19H19F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17,19,25H,5,22H2,1-2H3/t16-,17-,19+/m0/s1","","2015-11-11","2016-09-30","(2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine","2016-10-05"],["H7T","2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone","C42 H58 N8 O4","CC1(C)C(=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC8CC8)cc12)N;CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C","InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)","","2018-11-20","2018-11-30","2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone","2018-12-05"],["5QV","(4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine","C20 H19 F2 N5 O S","Cc1onc(C)c1[CH]2C[C](C)(N=C(N)S2)c3cc(c(F)cc3F)c4cncnc4;Cc1c(c(on1)C)C2CC(N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4","InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)17-6-20(3,26-19(23)29-17)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1","","2015-11-11","2016-07-01","(4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine","2016-07-06"],["H7U","2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine","C23 H28 N2 O2 S","COc1ccc2nc3ccc(OC(C)C)cc3c(SCC4CCNCC4)c2c1;CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4","InChI=1S/C23H28N2O2S/c1-15(2)27-18-5-7-22-20(13-18)23(28-14-16-8-10-24-11-9-16)19-12-17(26-3)4-6-21(19)25-22/h4-7,12-13,15-16,24H,8-11,14H2,1-3H3","","2020-11-24","2021-11-12","2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine","2021-11-17"],["5QW","~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide","C17 H23 N3 O3 S","C[CH](CNC(=O)c1ccc2SCCC(=O)Nc2c1)N3CCOCC3;CC(CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3","InChI=1S/C17H23N3O3S/c1-12(20-5-7-23-8-6-20)11-18-17(22)13-2-3-15-14(10-13)19-16(21)4-9-24-15/h2-3,10,12H,4-9,11H2,1H3,(H,18,22)(H,19,21)/t12-/m0/s1","","2015-11-11","2016-11-18","~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide","2016-11-23"],["H7V","3-cyclohexyl-N-methyl-L-alanine","C10 H19 N O2","N(C(C(O)=O)CC1CCCCC1)C;CN[CH](CC1CCCCC1)C(O)=O;CNC(CC1CCCCC1)C(=O)O","InChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1","","2018-06-13","2024-09-27","3-cyclohexyl-N-methyl-L-alanine","2018-10-17"],["5QX","1-methyl-3,4-dihydroquinoxalin-2-one","C9 H10 N2 O","CN1C(=O)CNc2ccccc12;CN1c2ccccc2NCC1=O","InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3","","2015-11-12","2016-05-20","1-methyl-3,4-dihydroquinoxalin-2-one","2016-05-25"],["H7W","(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide","C21 H29 N3 O2","C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O;CC1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N","InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1","","2018-11-20","2019-04-26","(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide","2019-05-01"],["5QY","(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one","C9 H10 N2 O","C[CH]1Nc2ccccc2NC1=O;CC1C(=O)Nc2ccccc2N1","InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1","","2015-11-12","2016-05-20","(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one","2016-05-25"],["H7X","2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid","C22 H24 N2 O4 S","COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(O)=O;COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4","InChI=1S/C22H24N2O4S/c1-27-14-3-4-19-16(9-14)21(29-12-13-5-7-23-8-6-13)17-10-15(28-2)11-18(22(25)26)20(17)24-19/h3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,26)","","2020-11-24","2021-11-12","2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid","2021-11-17"],["5QZ","5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid","C22 H21 N3 O3","CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4;CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4","InChI=1S/C22H21N3O3/c1-24(2)21(26)17-7-3-5-15(11-17)16-6-4-8-18(12-16)25-20(14-9-10-14)19(13-23-25)22(27)28/h3-8,11-14H,9-10H2,1-2H3,(H,27,28)","","2021-07-14","2021-11-12","5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid","2021-11-17"],["H7Y","ISOEUGENOL","C10 H12 O2","COc1cc(C=CC)ccc1O;CC=Cc1ccc(c(c1)OC)O","InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+","","2016-03-01","2016-07-22","2-methoxy-4-[(E)-prop-1-enyl]phenol","2016-07-27"],["5R0","4-~{tert}-butylbenzoic acid","C11 H14 O2","CC(C)(C)c1ccc(cc1)C(O)=O;CC(C)(C)c1ccc(cc1)C(=O)O","InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)","","2015-11-12","2024-09-27","4-tert-butylbenzoic acid","2015-12-16"],["5R1","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid","C21 H21 N3 O6","O=C(O)c1ccc(cc1OC)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3;COc1cc(cc(OC)c1OC)c2cnc(N)c(n2)c3ccc(C(O)=O)c(OC)c3;COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N","InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26)","","2010-07-07","2011-06-04","4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid",""],["H7Z","(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide","C21 H29 N3 O2","C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O;CC1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N","InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m1/s1","","2018-11-21","2019-04-26","(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide","2019-05-01"],["H80","[2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol","C21 H24 N2 O3 S","COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1;COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNC4","InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1","","2020-11-24","2021-11-19","[2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol","2021-11-24"],["5R2","2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate","C37 H50 N6 O9 S","CCc1nc2ccc(OC)cc2nc1O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)NC(=O)OC(C)(C)C;CCc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6","InChI=1S/C37H50N6O9S/c1-6-26-32(39-29-18-23(50-5)14-17-27(29)38-26)51-24-19-30-31(44)41-37(34(46)42-53(48,49)25-15-16-25)20-22(37)12-10-8-7-9-11-13-28(33(45)43(30)21-24)40-35(47)52-36(2,3)4/h10,12,14,17-18,22,24-25,28,30H,6-9,11,13,15-16,19-21H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b12-10+/t22-,24+,28-,30-,37+/m0/s1","MK-5172 P1-P3 macrocyclic analogue","2015-11-12","2021-03-01","","2016-01-13"],["5R3","~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide","C41 H55 N17 O8","CN(C)CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)Nc5cn(c(n5)C(=O)NCCC(=O)NCCCN(C)C)C)C","InChI=1S/C41H55N17O8/c1-53(2)17-8-12-42-31(59)9-13-46-39(64)35-51-29(23-57(35)6)49-32(60)10-14-45-38(63)28-20-26(22-56(28)5)48-41(66)36-52-30(24-58(36)7)50-33(61)11-15-44-37(62)27-19-25(21-55(27)4)47-40(65)34-43-16-18-54(34)3/h16,18-24H,8-15,17H2,1-7H3,(H,42,59)(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,48,66)(H,49,60)(H,50,61)","","2021-08-25","2022-07-29","~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide","2022-08-03"],["H81","N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide","C21 H28 N6 O3","c21cc(OCCN)c(cc1c(nc(n2)N3CCCC3)NCCCNC(C#C)=O)OC;COc1cc2c(NCCCNC(=O)C#C)nc(nc2cc1OCCN)N3CCCC3;COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C#C)N3CCCC3","InChI=1S/C21H28N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h1,13-14H,4-12,22H2,2H3,(H,23,28)(H,24,25,26)","","2018-06-14","2025-07-25","N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide","2025-07-30"],["H82","3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide","C28 H29 F3 N5 O4","COc1cc(ccc1Nc2ncc(c(Oc3cccc4CCC(=O)c34)n2)C(F)(F)F)C(=O)NC5CC[NH+](C)CC5;C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F","InChI=1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)/p+1","","2018-11-21","2019-09-04","3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide","2019-02-20"],["5R4","3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide","C24 H24 Cl N5 O4","NC(=O)c1cccc(c1)C#CCN(CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl)C(C)=O;CC(=O)N(CC#Cc1cccc(c1)C(N)=O)C[CH]2C[CH]([CH](O)[CH]2O)n3ccc4c(Cl)ncnc34;CC(=O)N(CC#Cc1cccc(c1)C(=O)N)CC2CC(C(C2O)O)n3ccc4c3ncnc4Cl","InChI=1S/C24H24ClN5O4/c1-14(31)29(8-3-5-15-4-2-6-16(10-15)23(26)34)12-17-11-19(21(33)20(17)32)30-9-7-18-22(25)27-13-28-24(18)30/h2,4,6-7,9-10,13,17,19-21,32-33H,8,11-12H2,1H3,(H2,26,34)/t17-,19-,20-,21+/m1/s1","","2021-07-23","2022-07-15","3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide","2022-07-20"],["H83","~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine","C17 H21 Cl N2","NCCCCNCc1ccc(c(Cl)c1)c2ccccc2;c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN","InChI=1S/C17H21ClN2/c18-17-12-14(13-20-11-5-4-10-19)8-9-16(17)15-6-2-1-3-7-15/h1-3,6-9,12,20H,4-5,10-11,13,19H2","","2016-12-12","2017-05-19","~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine","2017-05-24"],["5R5","methyl L-serinate","C4 H9 N O3","NC(C(=O)OC)CO;COC(=O)[CH](N)CO;COC(=O)C(CO)N","InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1","methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate","2015-11-13","2024-09-27","methyl L-serinate","2015-12-16"],["H84","2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine","C11 H16 Br2 N5 O11 P3","n1c(c2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Br)Br)=O)N;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Br)(Br)[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N","InChI=1S/C11H16Br2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7+/m0/s1","beta, gamma dATP analogue","2018-06-14","2021-03-13","2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine","2018-06-27"],["5R6","Nogalamycin RO","C35 H41 N O14","COC(=O)[CH]1c2cc3C(=O)c4c5O[CH]6C[CH]([CH](O)[C](C)(O6)c5cc(O)c4C(=O)c3c(O)c2[CH](C[C]1(C)O)O[CH]7C[CH](O)[CH](O)[CH](C)O7)N(C)C;CC1C(C(CC(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5c(c(cc6c5OC7CC(C(C6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O","InChI=1S/C35H41NO14/c1-12-27(39)18(38)10-20(47-12)48-19-11-34(2,45)26(33(44)46-6)13-7-14-23(29(41)22(13)19)30(42)24-17(37)8-15-31(25(24)28(14)40)49-21-9-16(36(4)5)32(43)35(15,3)50-21/h7-8,12,16,18-21,26-27,32,37-39,41,43,45H,9-11H2,1-6H3/t12-,16-,18-,19-,20-,21+,26-,27-,32-,34-,35+/m0/s1","","2015-11-13","2016-05-06","","2016-05-11"],["H86","3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium","C23 H34 F2 N O7 P2","O=P(O)(O)C(P(=O)(O)O)C[n+]1cc(cc(OCCCCCCCCCC)c1)c2cc(F)cc(F)c2;CCCCCCCCCCOc1cc(c[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1)c2cc(F)cc(F)c2;CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F","InChI=1S/C23H33F2NO7P2/c1-2-3-4-5-6-7-8-9-10-33-22-13-19(18-11-20(24)14-21(25)12-18)15-26(16-22)17-23(34(27,28)29)35(30,31)32/h11-16,23H,2-10,17H2,1H3,(H3-,27,28,29,30,31,32)/p+1","","2007-08-20","2011-06-04","3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium",""],["5R7","(2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth\nyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C15 H26 N4 O6 S2","CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C;C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)CNS(=O)(=O)N","InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14-/m1/s1","Doripenem(open form, pyrroline tautomer form 3, SP3 connection to Thio as R isomer)","2015-11-16","2024-09-27","(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid","2015-11-25"],["H88","~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide","C29 H26 N4 O5 S","Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5;Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C","InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35)","","2018-11-23","2024-09-27","~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide","2020-05-27"],["5R8","[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine","C14 H23 N3","CN1CCCN(CC1)Cc2ccc(CN)cc2;CN1CCCN(CC1)Cc2ccc(cc2)CN","InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3","","2015-11-16","2015-12-31","[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine","2016-01-05"],["H89","6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C26 H20 N4 O3","O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(OCc4ccccc4)cc5;OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccc(OCc5ccccc5)cc4;c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O","InChI=1S/C26H20N4O3/c31-26(32)22-14-24(20-6-8-21(9-7-20)33-17-19-4-2-1-3-5-19)29-25-23(22)15-28-30(25)16-18-10-12-27-13-11-18/h1-15H,16-17H2,(H,31,32)","","2011-09-30","2012-09-28","6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2012-09-28"],["5R9","6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline","C16 H21 N3","CN1CCCN(CC1)Cc2ccc3ncccc3c2;CN1CCCN(CC1)Cc2ccc3c(c2)cccn3","InChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3","","2015-11-16","2015-12-31","6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline","2016-01-05"],["H8A","3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile","C18 H15 N5 O2","c2(Oc1cccc(c1)C#N)c4c(c3c(c2)nc(nc3N)N)OCC4C;C[CH]1COc2c1c(Oc3cccc(c3)C#N)cc4nc(N)nc(N)c24;CC1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N","InChI=1S/C18H15N5O2/c1-9-8-24-16-14(9)13(25-11-4-2-3-10(5-11)7-19)6-12-15(16)17(20)23-18(21)22-12/h2-6,9H,8H2,1H3,(H4,20,21,22,23)/t9-/m0/s1","","2018-06-15","2019-06-14","3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile","2019-06-19"],["5RA","5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile","C27 H37 N5","CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(CN4CCCN(C)CC4)cc3C#N;CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C","InChI=1S/C27H37N5/c1-29-11-3-13-31(17-15-29)21-23-5-8-25(9-6-23)27-10-7-24(19-26(27)20-28)22-32-14-4-12-30(2)16-18-32/h5-10,19H,3-4,11-18,21-22H2,1-2H3","","2015-11-16","2015-12-31","5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile","2016-01-05"],["H8B","7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine","C18 H19 N3 O","CNCc1ccccc1OCc2ccc3ccc(N)nc3c2;CNCc1ccccc1OCc2ccc3ccc(nc3c2)N","InChI=1S/C18H19N3O/c1-20-11-15-4-2-3-5-17(15)22-12-13-6-7-14-8-9-18(19)21-16(14)10-13/h2-10,20H,11-12H2,1H3,(H2,19,21)","","2019-01-26","2019-02-01","7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine","2019-02-06"],["5RB","5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid","C31 H34 N6 O3","CCC[CH]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4ncc(C(O)=O)c4[CH]5C[CH]5c6cn(C)nn6;CCCC1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5c6cn(nn6)C","InChI=1S/C31H34N6O3/c1-3-8-23-12-4-5-14-36(23)30(38)22-11-6-9-20(15-22)21-10-7-13-24(16-21)37-29(27(18-32-37)31(39)40)26-17-25(26)28-19-35(2)34-33-28/h6-7,9-11,13,15-16,18-19,23,25-26H,3-5,8,12,14,17H2,1-2H3,(H,39,40)/t23-,25-,26-/m1/s1","","2021-07-14","2021-11-12","5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid","2021-11-17"],["H8C","6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one","C24 H20 N2 O2","C[CH](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5;Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3C(C)c5ccccc5","InChI=1S/C24H20N2O2/c1-14-22(16(3)28-25-14)19-12-13-21-23-18(19)10-7-11-20(23)24(27)26(21)15(2)17-8-5-4-6-9-17/h4-13,15H,1-3H3/t15-/m1/s1","","2020-11-24","2021-09-10","6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1~{R})-1-phenylethyl]benzo[cd]indol-2-one","2021-09-15"],["5RC","~{N}-[(1~{R},6~{R})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide","C20 H20 F5 N5 O S","CCc1sc(cc1c2cnn3cc(cnc23)C(F)(F)F)C(=O)N[CH]4[CH](N)CCCC4(F)F;CCc1c(cc(s1)C(=O)NC2C(CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F","InChI=1S/C20H20F5N5OS/c1-2-14-11(12-8-28-30-9-10(20(23,24)25)7-27-17(12)30)6-15(32-14)18(31)29-16-13(26)4-3-5-19(16,21)22/h6-9,13,16H,2-5,26H2,1H3,(H,29,31)/t13-,16-/m1/s1","","2015-11-17","2015-11-27","~{N}-[(1~{R},6~{R})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide","2015-12-02"],["H8D","(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide","C20 H25 N3 O2","c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4;CC[CH](CO)NC(=O)[CH]1CN(C)[CH]2Cc3c[nH]c4cccc(C2=C1)c34;CCC(CO)NC(=O)C1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C","InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1","methylergonovine","2018-06-15","2020-06-17","(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide","2018-08-29"],["5RD","4-(butylaminomethyl)benzenesulfonamide","C11 H18 N2 O2 S","CCCCNCc1ccc(cc1)[S](N)(=O)=O;CCCCNCc1ccc(cc1)S(=O)(=O)N","InChI=1S/C11H18N2O2S/c1-2-3-8-13-9-10-4-6-11(7-5-10)16(12,14)15/h4-7,13H,2-3,8-9H2,1H3,(H2,12,14,15)","","2015-11-17","2015-12-31","4-(butylaminomethyl)benzenesulfonamide","2016-01-05"],["H8E","benzyl-N-[(2S)-1-[[(3S)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate","C34 H42 N6 O6","CN(NC(=O)CC[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CCCCN)C(=O)C(=O)NCc2ccccc2)c3ccccc3;CN(c1ccccc1)NC(=O)CCC(C(=O)NC(CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C34H42N6O6/c1-40(27-17-9-4-10-18-27)39-30(41)21-20-29(38-34(45)46-24-26-15-7-3-8-16-26)32(43)37-28(19-11-12-22-35)31(42)33(44)36-23-25-13-5-2-6-14-25/h2-10,13-18,28-29H,11-12,19-24,35H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,41)/t28-,29-/m0/s1","","2018-11-23","2019-03-08","(phenylmethyl) ~{N}-[(2~{S})-1-[[(3~{S})-7-azanyl-1,2-bis(oxidanylidene)-1-[(phenylmethyl)amino]heptan-3-yl]amino]-5-(2-methyl-2-phenyl-hydrazinyl)-1,5-bis(oxidanylidene)pentan-2-yl]carbamate","2019-03-13"],["5RE","(2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide","C25 H25 F N2 O3","C[CH](NC(=O)[CH](Cc1ccc(F)cc1)NC(=O)Cc2cccc(O)c2)c3ccccc3;CC(c1ccccc1)NC(=O)C(Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O","InChI=1S/C25H25FN2O3/c1-17(20-7-3-2-4-8-20)27-25(31)23(15-18-10-12-21(26)13-11-18)28-24(30)16-19-6-5-9-22(29)14-19/h2-14,17,23,29H,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,23-/m0/s1","","2015-11-17","2016-04-08","(2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide","2016-04-13"],["H8F","2-(aminomethyl)-3,5-ditert-butyl-phenol","C15 H25 N O","CC(C)(C)c1cc(O)c(CN)c(c1)C(C)(C)C;CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C","InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3","","2020-11-25","2021-11-26","2-(aminomethyl)-3,5-di~{tert}-butyl-phenol","2021-12-01"],["5RF","(2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide","C26 H27 Br N2 O3","COc1ccc(CC(=O)N[CH](Cc2ccccc2Br)C(=O)N[CH](C)c3ccccc3)cc1;CC(c1ccccc1)NC(=O)C(Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC","InChI=1S/C26H27BrN2O3/c1-18(20-8-4-3-5-9-20)28-26(31)24(17-21-10-6-7-11-23(21)27)29-25(30)16-19-12-14-22(32-2)15-13-19/h3-15,18,24H,16-17H2,1-2H3,(H,28,31)(H,29,30)/t18-,24-/m0/s1","","2015-11-17","2016-04-08","(2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide","2016-04-13"],["H8G","N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea","C20 H26 N4 O","CCN(CC)C(=O)NC3C=C2c4cccc1c4c(cn1)CC2N(C)C3;CCN(CC)C(=O)N[CH]1CN(C)[CH]2Cc3c[nH]c4cccc(C2=C1)c34;CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C","InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1","lisuride","2018-06-15","2021-03-01","N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea","2018-08-29"],["5RG","2-amino-5-fluorobenzoic acid","C7 H6 F N O2","O=C(O)c1cc(F)ccc1N;Nc1ccc(F)cc1C(O)=O;c1cc(c(cc1F)C(=O)O)N","InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)","","2011-08-03","2012-08-03","2-amino-5-fluorobenzoic acid",""],["H8H","N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE","C27 H32 Cl N5 O5","Clc2ccc1OCOc1c2Nc6ncnc5c6c(OC3CCOCC3)cc(OCCN4CCN(C)CC4)c5;CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1;CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl","InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)","SARACATINIB","2006-06-14","2021-03-01","N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine",""],["5RH","Cytochalasin B","C29 H37 N O5","C[CH]1CCC[CH](O)C=CC(=O)O[C]23[CH](C=CC1)[CH](O)C(=C)[CH](C)[CH]2[CH](Cc4ccccc4)NC3=O;CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)Cc4ccccc4)C)O)O","InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1","","2015-11-17","2016-04-08","","2016-04-13"],["H8I","[2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone","C21 H16 Cl2 N2 O2","Clc1ccc(Cl)c(Oc2ncccc2C(=O)N3CCCc4ccccc34)c1;c1ccc2c(c1)CCCN2C(=O)c3cccnc3Oc4cc(ccc4Cl)Cl","InChI=1S/C21H16Cl2N2O2/c22-15-9-10-17(23)19(13-15)27-20-16(7-3-11-24-20)21(26)25-12-4-6-14-5-1-2-8-18(14)25/h1-3,5,7-11,13H,4,6,12H2","","2022-05-20","2022-07-01","[2-[2,5-bis(chloranyl)phenoxy]pyridin-3-yl]-(3,4-dihydro-2~{H}-quinolin-1-yl)methanone","2022-07-06"],["5RI","N-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide","C20 H22 N6 O4","O=C(c3c(Nc1ncnc(n1)Nc2cc(OC)c(OC)c(OC)c2)cccc3)NC;CNC(=O)c1ccccc1Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2;CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC","InChI=1S/C20H22N6O4/c1-21-18(27)13-7-5-6-8-14(13)25-20-23-11-22-19(26-20)24-12-9-15(28-2)17(30-4)16(10-12)29-3/h5-11H,1-4H3,(H,21,27)(H2,22,23,24,25,26)","","2013-09-25","2014-09-05","N-methyl-2-({4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}amino)benzamide","2014-04-02"],["H8J","(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide","C21 H27 N3 O2","CCC(CO)NC(=O)C3C=C2c4cccc1c4c(cn1C)CC2N(C)C3;CC[CH](CO)NC(=O)[CH]1CN(C)[CH]2Cc3cn(C)c4cccc(C2=C1)c34;CCC(CO)NC(=O)C1CN(C2Cc3cn(c4c3c(ccc4)C2=C1)C)C","InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1","methysergide","2018-06-15","2021-03-01","(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide","2018-08-29"],["5RJ","5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one","C23 H23 N3 O4","Cc1ccccc1CN2N=Nc3ccc(c(C)c3C2=O)C(=O)[CH]4[CH](O)CCCC4=O;Cc1ccccc1CN2C(=O)c3c(c(ccc3N=N2)C(=O)C4C(CCCC4=O)O)C","InChI=1S/C23H23N3O4/c1-13-6-3-4-7-15(13)12-26-23(30)20-14(2)16(10-11-17(20)24-25-26)22(29)21-18(27)8-5-9-19(21)28/h3-4,6-7,10-11,18,21,27H,5,8-9,12H2,1-2H3/t18-,21+/m0/s1","","2021-08-24","2022-08-19","5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one","2022-08-24"],["H8K","trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol","C21 H23 N3 O2","n3c2c1ccc(cc1Cc2c(n3)c4ccoc4)CNC5CCC(O)CC5;O[CH]1CC[CH](CC1)NCc2ccc3c(Cc4c([nH]nc34)c5cocc5)c2;c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5","InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)/t16-,17-","","2012-07-03","2012-08-17","trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol",""],["5RK","(2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","C25 H30 N2 O5","OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1C)c1ccco1;Cc1cc(ccc1NCc2ccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)cc2)c4occc4;Cc1cc(ccc1NCc2ccc(cc2)CN3CC(C(C(C3CO)O)O)O)c4ccco4","InChI=1S/C25H30N2O5/c1-16-11-19(23-3-2-10-32-23)8-9-20(16)26-12-17-4-6-18(7-5-17)13-27-14-22(29)25(31)24(30)21(27)15-28/h2-11,21-22,24-26,28-31H,12-15H2,1H3/t21-,22+,24-,25-/m1/s1","","2021-07-23","2022-07-29","(2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","2022-08-03"],["H8L","O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate","C20 H24 N2 O5","COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2NO;Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC","InChI=1S/C20H24N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11,22,25H,10H2,1-5H3","","2020-11-26","2024-09-27","~{O}3-methyl ~{O}5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate","2021-05-19"],["5RL","6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol","C17 H17 N O2","CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34;CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O","InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1","Apomorphine","2015-11-17","2021-03-01","6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol","2016-06-08"],["H8M","(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline","C21 H23 Cl N2 O2","COc4ccc(CC1c2c(CCN1)c3cc(C)ccc3n2)c(c4OC)Cl;COc1ccc(C[CH]2NCCc3c2[nH]c4ccc(C)cc34)c(Cl)c1OC;Cc1ccc2c(c1)c3c([nH]2)C(NCC3)Cc4ccc(c(c4Cl)OC)OC","InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3/t17-/m0/s1","LY266097","2018-06-15","2021-03-01","(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline","2018-08-29"],["5RM","(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one","C14 H19 N O4","CCCOc1cc(ccc1OC)[C]2(C)CNC(=O)O2;CCCOc1cc(ccc1OC)C2(CNC(=O)O2)C","InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1","(R)-MESOPRAM","2004-11-17","2020-06-17","(5R)-5-(4-methoxy-3-propoxy-phenyl)-5-methyl-1,3-oxazolidin-2-one",""],["H8N","4-hydroxybenzonitrile","C7 H5 N O","N#Cc1ccc(cc1)O;Oc1ccc(cc1)C#N;c1cc(ccc1C#N)O","InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H","","2015-05-28","2015-08-28","4-hydroxybenzonitrile","2015-09-02"],["5RN","1-(1~{H}-indol-3-yl)ethanone","C10 H9 N O","CC(=O)c1c[nH]c2ccccc12;CC(=O)c1c[nH]c2c1cccc2","InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3","","2015-11-18","2016-05-20","1-(1~{H}-indol-3-yl)ethanone","2016-05-25"],["H8O","(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol","C17 H16 F6 N2 O","O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F;c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O","InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m0/s1","","2020-11-27","2021-11-26","(~{S})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol","2021-12-01"],["5RO","1-(7-methyl-1~{H}-indol-3-yl)ethanone","C11 H11 N O","CC(=O)c1c[nH]c2c(C)cccc12;Cc1cccc2c1[nH]cc2C(=O)C","InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3","","2015-11-18","2016-05-20","1-(7-methyl-1~{H}-indol-3-yl)ethanone","2016-05-25"],["H8Q","~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide","C53 H67 N9 O10 S","CC[CH]1NC(=O)[CH](NC(=O)c2ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC(=O)[CH](CS[CH]4CN5CCC4CC5)CN3C(=O)[CH](Cc6ccc(cc6)N(C)C)N(C)C(=O)[CH]7CCCN7C1=O)c8ccccc8;CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CSC6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C","InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37+,38+,39-,40-,43+,44-,45-/m0/s1","quinupristin","2018-11-26","2020-09-16","~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide","2020-07-08"],["5RP","RIBULOSE-5-PHOSPHATE","C5 H11 O8 P","O=P(O)(O)OCC(O)C(O)C(=O)CO;OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(=O)CO)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1","","2004-07-09","2024-09-27","5-O-phosphono-D-ribulose",""],["H8R","(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid","C20 H31 N O4","CCCCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O;CCCCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)O","InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-25-17-12-10-16(11-13-17)19(22)21-18(15(2)3)20(23)24/h10-13,15,18H,4-9,14H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1","","2019-01-23","2020-01-31","(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid","2020-02-05"],["5RQ","1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid","C28 H37 N3 O3","CCCC[CH]1CCCN1C(=O)[CH]2CCC[CH](C2)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5;CCCCC1CCCN1C(=O)C2CCCC(C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5","InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23-/m1/s1","","2021-07-14","2021-11-12","1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid","2021-11-17"],["H8S","N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide","C28 H42 N4 O3 S","C(c1ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CNC(=O)C(C)C)=O)n3)(C)C;CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CNC(=O)C(C)C)C3CCCCC3;CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C(C)C)C3CCCCC3","InChI=1S/C28H42N4O3S/c1-6-25(33)30-22(15-26-31-21-13-12-20(17(2)3)14-24(21)36-26)28(35)32-23(16-29-27(34)18(4)5)19-10-8-7-9-11-19/h12-14,17-19,22-23H,6-11,15-16H2,1-5H3,(H,29,34)(H,30,33)(H,32,35)/t22-,23+/m0/s1","","2018-06-15","2024-09-27","N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide","2021-06-02"],["5RS","~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","C36 H52 N6 O9 S","CC[CH]1C[C]1(NC(=O)[CH]2C[CH](CN2C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)Oc3nc4cc(OC)ccc4nc3CC)C(=O)N[S](=O)(=O)C5CC5;CCc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC4(CC4CC)C(=O)NS(=O)(=O)C5CC5","InChI=1S/C36H52N6O9S/c1-10-20-18-36(20,32(45)41-52(47,48)23-13-14-23)40-29(43)27-17-22(50-30-24(11-2)37-25-15-12-21(49-9)16-26(25)38-30)19-42(27)31(44)28(34(3,4)5)39-33(46)51-35(6,7)8/h12,15-16,20,22-23,27-28H,10-11,13-14,17-19H2,1-9H3,(H,39,46)(H,40,43)(H,41,45)/t20-,22-,27+,28-,36-/m1/s1","MK-5172 linear analogue","2015-11-18","2021-03-01","~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","2016-01-13"],["H8T","Virginiamycin M","C28 H33 N3 O7","CC(C)[CH]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)OC1C(C)C)O)C","InChI=1S/C28H33N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-10,12-13,16-17,19-20,26,32H,11,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1","","2018-11-26","2022-12-19","(10~{R},11~{R},12~{E},17~{E},19~{E},21~{S})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone","2020-07-08"],["5RT","1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide","C25 H22 F3 N3 O3 S2","Cn1ccc2c1cccc2[S](=O)(=O)N(CC(F)(F)F)c3ccc4N(CCCc4c3)C(=O)c5sccc5;Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5","InChI=1S/C25H22F3N3O3S2/c1-29-13-11-19-21(29)6-2-8-23(19)36(33,34)31(16-25(26,27)28)18-9-10-20-17(15-18)5-3-12-30(20)24(32)22-7-4-14-35-22/h2,4,6-11,13-15H,3,5,12,16H2,1H3","","2015-11-18","2016-04-22","1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide","2016-04-27"],["H8U","Paraherquamide A","C28 H35 N3 O5","CN1C(=O)[C]23C[CH]4C(C)(C)[C]5(C[C]14CN2CC[C]3(C)O)C(=O)Nc6c7OC=CC(C)(C)Oc7ccc56;CC1(C=COc2c(ccc3c2NC(=O)C34CC56CN7CCC(C7(CC5C4(C)C)C(=O)N6C)(C)O)O1)C","InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1","","2020-11-27","2021-11-19","","2021-11-24"],["5RU","2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one","C12 H10 F N5 O S","NC1=Nc2[nH]c(SCc3ccccc3F)nc2C(=O)N1;c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F","InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)","","2015-11-18","2016-04-29","2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one","2016-05-04"],["H8V","(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide","C33 H51 N5 O4 S","CC(c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC(=O)C(CCN2CCOCC2)C)=O)sc4c3)C;CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CNC(=O)[CH](C)CCN3CCOCC3)C4CCCCC4;CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C(C)CCN3CCOCC3)C4CCCCC4","InChI=1S/C33H51N5O4S/c1-5-30(39)35-27(20-31-36-26-12-11-25(22(2)3)19-29(26)43-31)33(41)37-28(24-9-7-6-8-10-24)21-34-32(40)23(4)13-14-38-15-17-42-18-16-38/h11-12,19,22-24,27-28H,5-10,13-18,20-21H2,1-4H3,(H,34,40)(H,35,39)(H,37,41)/t23-,27+,28-/m1/s1","","2018-06-15","2024-09-27","(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide","2021-06-02"],["5RV","2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile","C13 H10 N6 O S","NC1=NC(=O)c2nc([nH]c2N1)SCc3ccccc3C#N;c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N","InChI=1S/C13H10N6OS/c14-5-7-3-1-2-4-8(7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)","","2015-11-18","2016-04-29","2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile","2016-05-04"],["H8W","3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid","C23 H27 N3 O2","CC(C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC(O)=O)cc4;CC(C)CN1CCc2c(ccc3c2cn[nH]3)C1c4ccc(cc4)CCC(=O)O","InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-4,6-9,13,15,23H,5,10-12,14H2,1-2H3,(H,24,25)(H,27,28)/t23-/m1/s1","","2018-11-27","2019-01-18","3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid","2019-01-23"],["5RW","2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one","C12 H10 F N5 O S","NC1=Nc2nc([nH]c2C(=O)N1)SCc3ccc(F)cc3;c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F","InChI=1S/C12H10FN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)","","2015-11-18","2016-04-29","2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one","2016-05-04"],["H8X","N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide","C21 H22 N2 O4 S","C[S](=O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc4occc4;CS(=O)(=O)N(Cc1ccco1)CC(Cn2c3ccccc3c4c2cccc4)O","InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1","","2020-11-30","2021-06-18","~{N}-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-~{N}-(furan-2-ylmethyl)methanesulfonamide","2021-06-23"],["5RX","2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one","C12 H10 Cl N5 O S","NC1=Nc2[nH]c(SCc3ccc(Cl)cc3)nc2C(=O)N1;c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl","InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)","","2015-11-18","2016-04-29","2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one","2016-05-04"],["5RY","4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile","C13 H9 F N6 O S","NC1=Nc2[nH]c(SCc3ccc(cc3F)C#N)nc2C(=O)N1;c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N","InChI=1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)","","2015-11-18","2016-04-29","4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile","2016-05-04"],["H8Z","1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one","C15 H16 N6 O","Nc1ncnc2n(nc(C#C)c12)[CH]3CCCN(C3)C(=O)C=C;C=CC(=O)N1CCCC(C1)n2c3c(c(n2)C#C)c(ncn3)N","InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1","","2018-11-28","2024-09-27","1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one","2019-02-27"],["H90","6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C26 H18 N4 O3","O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(C(=O)c4ccccc4)cc5;OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccc(cc4)C(=O)c5ccccc5;c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O","InChI=1S/C26H18N4O3/c31-24(19-4-2-1-3-5-19)20-8-6-18(7-9-20)23-14-21(26(32)33)22-15-28-30(25(22)29-23)16-17-10-12-27-13-11-17/h1-15H,16H2,(H,32,33)","","2011-09-30","2012-09-28","6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2012-09-28"],["5RZ","2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one","C13 H10 Br N5 O2 S","NC1=Nc2[nH]c(SCC(=O)c3ccc(Br)cc3)nc2C(=O)N1;c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br","InChI=1S/C13H10BrN5O2S/c14-7-3-1-6(2-4-7)8(20)5-22-13-16-9-10(18-13)17-12(15)19-11(9)21/h1-4H,5H2,(H4,15,16,17,18,19,21)","","2015-11-18","2016-04-29","2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one","2016-05-04"],["H91","9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one","C26 H28 Cl2 N4 O2","N(C)(CC5CCC(N1c3c(CNC1=O)cnc2ccc(cc23)c4cc(c(c(c4)Cl)O)Cl)CC5)C;CN(C)C[CH]1CC[CH](CC1)N2C(=O)NCc3cnc4ccc(cc4c23)c5cc(Cl)c(O)c(Cl)c5;CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl","InChI=1S/C26H28Cl2N4O2/c1-31(2)14-15-3-6-19(7-4-15)32-24-18(13-30-26(32)34)12-29-23-8-5-16(9-20(23)24)17-10-21(27)25(33)22(28)11-17/h5,8-12,15,19,33H,3-4,6-7,13-14H2,1-2H3,(H,30,34)/t15-,19-","","2016-11-15","2017-11-17","9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one","2017-11-22"],["5S4","[(3~{R})-4-[[3-[2-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","C16 H33 N4 O8 P","CC(C)[CH](N)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C)C(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)N","InChI=1S/C16H33N4O8P/c1-10(2)12(17)14(23)20-8-7-18-11(21)5-6-19-15(24)13(22)16(3,4)9-28-29(25,26)27/h10,12-13,22H,5-9,17H2,1-4H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t12-,13-/m0/s1","","2015-11-19","2024-09-27","[(3~{R})-4-[[3-[2-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","2016-01-20"],["5S5","~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide","C23 H27 N3 O3","COc1cc(C)c(CNC[CH](NC(=O)c2cc(C)on2)c3ccccc3)cc1C;Cc1cc(c(cc1OC)C)CNCC(c2ccccc2)NC(=O)c3cc(on3)C","InChI=1S/C23H27N3O3/c1-15-11-22(28-4)16(2)10-19(15)13-24-14-21(18-8-6-5-7-9-18)25-23(27)20-12-17(3)29-26-20/h5-12,21,24H,13-14H2,1-4H3,(H,25,27)/t21-/m1/s1","","2015-11-19","2016-03-11","~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide","2016-03-16"],["H92","4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide","C18 H18 F N3 O","NC(=O)c1ccc(cc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4;c1cc(ccc1c2cc(cnc2F)C3CC4CCC3N4)C(=O)N","InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)/t13-,14+,16+/m0/s1","","2019-01-30","2020-02-14","4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide","2020-02-19"],["H93","2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one","C11 H15 N5 O5","CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N;CN1C(=O)c2c(n(cn2)C3C(C(C(O3)CO)O)O)N=C1N","InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1","","2020-11-30","2022-01-28","2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one","2022-02-02"],["5S6","~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide","C26 H29 N3 O4","COc1cc(C)c(CNC[CH](NC(=O)c2cc(C)on2)c3ccc(cc3)C#CCO)cc1C;Cc1cc(c(cc1OC)C)CNCC(c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C","InChI=1S/C26H29N3O4/c1-17-13-25(32-4)18(2)12-22(17)15-27-16-24(28-26(31)23-14-19(3)33-29-23)21-9-7-20(8-10-21)6-5-11-30/h7-10,12-14,24,27,30H,11,15-16H2,1-4H3,(H,28,31)/t24-/m1/s1","","2015-11-19","2016-03-11","~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide","2016-03-16"],["H94","6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile","C19 H16 F6 N6 O2","c3(C1CCN(CC1)c2cc(C(F)(F)F)c(C#N)cn2)nnc4c3C(C(F)(F)F)(O)CC(N4)=O;O[C]1(CC(=O)Nc2n[nH]c(C3CCN(CC3)c4cc(c(cn4)C#N)C(F)(F)F)c12)C(F)(F)F;c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)CC4(C(F)(F)F)O)C#N)C(F)(F)F","InChI=1S/C19H16F6N6O2/c20-18(21,22)11-5-12(27-8-10(11)7-26)31-3-1-9(2-4-31)15-14-16(30-29-15)28-13(32)6-17(14,33)19(23,24)25/h5,8-9,33H,1-4,6H2,(H2,28,29,30,32)/t17-/m1/s1","","2018-06-18","2018-09-28","6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile","2018-10-03"],["5S7","(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol","C11 H16 N6 O3 S","CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23;CSCC1C(C(C(O1)n2cnc3c2nc(nc3N)N)O)O","InChI=1S/C11H16N6O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1","2-amino-5'-deoxy-5'-(methylthio)adenosine","2015-11-19","2020-06-17","(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol","2016-12-21"],["H95","(2~{S},5~{R})-hexane-2,5-diol","C6 H14 O2","C[CH](O)CC[CH](C)O;CC(CCC(C)O)O","InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6+","","2018-11-30","2019-08-09","(2~{S},5~{R})-hexane-2,5-diol","2019-08-14"],["5S8","~{N}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide","C23 H27 N3 O5 S2","COc1ccc(cc1[S](O)(O)Nc2ccc(O)cc2)c3sc(NC(=O)C4CCCC4)nc3C;Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC","InChI=1S/C23H27N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27,29-30H,3-6H2,1-2H3,(H,24,25,28)","","2015-11-19","2016-02-19","~{N}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide","2016-02-24"],["H96","[2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol","C21 H24 N2 O3 S","COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1;COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNC4","InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m1/s1","","2020-12-01","2021-11-26","[2,7-dimethoxy-9-[[(3~{R})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol","2021-12-01"],["5S9","~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide","C11 H9 F2 N3 O","Cn1nccc1C(=O)Nc2ccc(F)cc2F;Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F","InChI=1S/C11H9F2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)","","2015-11-20","2016-06-03","~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide","2016-06-08"],["H97","(1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1\n0-secoestra-5,7-diene-1,3-diol","C31 H44 F6 O4","FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F;CC(C)(O)CCC[CH](CC#CC(O)(C(F)(F)F)C(F)(F)F)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3;CC12CCCC(=CC=C3CC(CC(C3)O)O)C1CCC2C(CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1","1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero\nl (Gemini--0097)","2010-07-22","2020-06-17","(1R,3R,7E,17beta)-17-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol",""],["5SA","ACARBOSE DERIVED PENTASACCHARIDE","C31 H53 N O23","O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1N[CH]3C=C(CO)[CH](O[CH]4O[CH](CO)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O;CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)NC3C=C(C(C(C3O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)CO","InChI=1/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1","4-O-(4,6-DIDEOXY-4-{[4-[(4-O-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ARABINO-HEXOPYRANOSE","2004-09-15","2008-10-14","4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose",""],["H98","~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide","C19 H24 N2 O4","COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c(NC=O)c2)cc1;CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O","InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1","","2018-11-30","2019-01-04","~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide","2019-01-09"],["5SB","~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide","C14 H12 N4 O","CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13;CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3","InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19)","","2015-11-20","2016-06-03","~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide","2016-06-08"],["H99","4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine","C22 H24 F2 N2 O2 S","COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(F)F;COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4","InChI=1S/C22H24F2N2O2S/c1-27-14-3-4-19-16(9-14)21(29-12-13-5-7-25-8-6-13)17-10-15(28-2)11-18(22(23)24)20(17)26-19/h3-4,9-11,13,22,25H,5-8,12H2,1-2H3","","2020-12-01","2021-11-12","4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine","2021-11-17"],["5SC","3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide","C19 H16 Br N5 O","[O-][n+]1cccc(c1)CNc2cc(nc3c(Br)cnn23)c4ccccc4C;Cc1ccccc1c2cc(NCc3ccc[n+]([O-])c3)n4ncc(Br)c4n2;Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-]","InChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3","","2007-09-20","2011-06-04","3-bromo-5-(2-methylphenyl)-N-[(1-oxidopyridin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine",""],["H9A","propan-2-yl hydrogen (R)-ethylphosphonate","C5 H13 O3 P","P(OC(C)C)(O)(=O)CC;CC[P](O)(=O)OC(C)C;CCP(=O)(O)OC(C)C","InChI=1S/C5H13O3P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3,(H,6,7)","","2018-06-18","2024-09-27","propan-2-yl hydrogen (R)-ethylphosphonate","2018-10-03"],["5SD","5ALPHA-ANDROSTAN-3,17-DIONE","C19 H28 O2","O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C;C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O;CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C","InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1","","2003-05-30","2011-06-04","(5beta,8alpha,10alpha,13alpha,14beta)-androstane-3,17-dione",""],["H9B","(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide","C21 H24 F3 N3 O","CC[CH](N)C(=O)N[C]1(CN)C[CH]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F;CCC(C(=O)NC1(CC1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N","InChI=1S/C21H24F3N3O/c1-2-18(26)19(28)27-20(12-25)11-17(20)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21(22,23)24/h3-10,17-18H,2,11-12,25-26H2,1H3,(H,27,28)/t17-,18+,20+/m1/s1","","2018-12-03","2024-09-27","(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide","2019-04-24"],["5SE","2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)","C10 H16 N3 O7 P Se","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C([Se]C)=C1)CC2O;C[Se]C1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N;C[Se]C1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O7PSe/c1-22-7-3-13(10(15)12-9(7)11)8-2-5(14)6(20-8)4-19-21(16,17)18/h3,5-6,8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,6+,8+/m0/s1","","2009-08-07","2011-06-04","2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)",""],["H9C","Bis(1,10-phenanthroline)platinum(II)","C24 H16 N4 Pt","[Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56;c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8","InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-8H;","","2020-12-01","2022-01-07","","2022-01-12"],["5SF","~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine","C25 H30 N6 O2","COc1cc(OC)cc(c1)N(CCNC(C)C)c2ccc3ncc(nc3c2)c4cnn(C)c4;CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC","InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3","","2015-11-20","2016-03-25","~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine","2016-03-30"],["H9D","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol","C22 H29 N11 O7","Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNCCNc4c5c(ncn4)n(cn5)C6C(C(C(O6)CO)O)O)O)O)N","InChI=1S/C22H29N11O7/c23-17-11-19(28-5-26-17)32(7-30-11)21-15(37)13(35)9(39-21)3-24-1-2-25-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)10(4-34)40-22/h5-10,13-16,21-22,24,34-38H,1-4H2,(H2,23,26,28)(H,25,27,29)","","2023-07-21","2023-11-03","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol","2023-11-08"],["5SG","isoquinolin-5-ol","C9 H7 N O","Oc1cccc2cnccc12;c1cc2cnccc2c(c1)O","InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H","","2015-11-21","2016-06-03","isoquinolin-5-ol","2016-06-08"],["H9E","[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide","C9 H9 B Br O3 S","O[B-](O)(O)c1sc2ccc(CBr)cc2c1;[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O","InChI=1S/C9H9BBrO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5H2/q-1","","2018-12-03","2019-10-18","[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide","2019-05-15"],["5SH","4-phenylpyridine","C11 H9 N","c1ccc(cc1)c2ccncc2;c1ccc(cc1)c2ccncc2","InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H","","2015-11-21","2016-05-20","4-phenylpyridine","2016-05-25"],["H9F","2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol","C24 H40 N8 O4","OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO;C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO","InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2","","2020-12-04","2021-12-03","2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol","2021-12-08"],["5SI","2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione","C15 H20 N O12 P3 S","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=S)c1c(cc(cc1)C)C=C2)CC3O;Cc1ccc2C(=S)N(C=Cc2c1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;Cc1ccc2c(c1)C=CN(C2=S)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C15H20NO12P3S/c1-9-2-3-11-10(6-9)4-5-16(15(11)32)14-7-12(17)13(26-14)8-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-6,12-14,17H,7-8H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t12-,13+,14+/m0/s1","","2011-07-29","2012-06-01","2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione",""],["H9G","(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine","C18 H16 N8 O2","c1(cccc(c1)c2nnnn2)Oc5c3c(OCC3C)c4c(N)nc(nc4c5)N;C[CH]1COc2c1c(Oc3cccc(c3)c4[nH]nnn4)cc5nc(N)nc(N)c25;CC1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5","InChI=1S/C18H16N8O2/c1-8-7-27-15-13(8)12(6-11-14(15)16(19)22-18(20)21-11)28-10-4-2-3-9(5-10)17-23-25-26-24-17/h2-6,8H,7H2,1H3,(H4,19,20,21,22)(H,23,24,25,26)/t8-/m0/s1","","2018-06-18","2019-06-14","(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine","2019-06-19"],["5SJ","ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate","C12 H14 N2 O3","CCOC(=O)c1ccc2N[CH](C)C(=O)Nc2c1;CCOC(=O)c1ccc2c(c1)NC(=O)C(N2)C","InChI=1S/C12H14N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7,13H,3H2,1-2H3,(H,14,15)/t7-/m1/s1","","2015-11-21","2016-05-20","ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate","2016-05-25"],["H9H","1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide","C28 H35 N5 O3 S","CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc3)[CH]4C[C]4(NC(=O)C5(N)CCCCC5)C#N;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)C4CC4(C#N)NC(=O)C5(CCCCC5)N","InChI=1S/C28H35N5O3S/c1-32-15-17-33(18-16-32)37(35,36)24-11-9-22(10-12-24)21-5-7-23(8-6-21)25-19-28(25,20-29)31-26(34)27(30)13-3-2-4-14-27/h5-12,25H,2-4,13-19,30H2,1H3,(H,31,34)/t25-,28+/m1/s1","","2018-12-03","2019-04-19","1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide","2019-04-24"],["5SK","~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine","C14 H17 N5","CC[CH](C)Nc1nc2ccccc2n3c(C)nnc13;CCC(C)Nc1c2nnc(n2c3ccccc3n1)C","InChI=1S/C14H17N5/c1-4-9(2)15-13-14-18-17-10(3)19(14)12-8-6-5-7-11(12)16-13/h5-9H,4H2,1-3H3,(H,15,16)/t9-/m1/s1","","2015-11-21","2016-10-28","~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine","2016-11-02"],["H9I","3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid","C20 H26 N4 O5","O=C(O)CCc1ccccc1OCC1(COc2c(N)nc(N)nc2CC)COC1;CCc1nc(N)nc(N)c1OCC2(COC2)COc3ccccc3CCC(O)=O;CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O","InChI=1S/C20H26N4O5/c1-2-14-17(18(21)24-19(22)23-14)29-12-20(9-27-10-20)11-28-15-6-4-3-5-13(15)7-8-16(25)26/h3-6H,2,7-12H2,1H3,(H,25,26)(H4,21,22,23,24)","","2022-01-03","2022-02-04","3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid","2022-02-09"],["5SL","~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","C20 H21 N7 O","Cc1ccc(Cc2noc(n2)[CH]3CC[CH](C3)Nc4ncnc5[nH]ncc45)cc1;Cc1ccc(cc1)Cc2nc(on2)C3CCC(C3)Nc4c5cn[nH]c5ncn4","InChI=1S/C20H21N7O/c1-12-2-4-13(5-3-12)8-17-25-20(28-27-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18/h2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26)/t14-,15-/m0/s1","","2015-11-23","2016-02-26","~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine","2016-03-02"],["H9J","2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide","C9 H14 F3 N O6","C1(C(C(C(C(C1NC(C(F)(F)F)=O)O)O)CO)O)O;OC[CH]1[CH](O)[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O;C(C1C(C(C(C(C1O)O)NC(=O)C(F)(F)F)O)O)O","InChI=1S/C9H14F3NO6/c10-9(11,12)8(19)13-3-6(17)4(15)2(1-14)5(16)7(3)18/h2-7,14-18H,1H2,(H,13,19)/t2-,3-,4-,5-,6-,7-/m1/s1","","2018-06-18","2024-09-27","2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide","2019-04-24"],["5SM","5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine","C16 H13 F3 N4","Cc1nccn1Cc2cc(cnn2)c3ccc(F)c(c3)C(F)F;Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F","InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3","","2015-11-23","2016-02-26","5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine","2016-03-02"],["H9K","3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol","C22 H16 N2 O2","Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4ccc(O)cc4C5;Oc1ccc(cc1)c2ccc(cc2)c3[nH]nc4c3Cc5cc(O)ccc45;c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O","InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)","","2012-07-03","2012-08-17","3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol",""],["5SN","1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline","C12 H11 N3","Cc1cc2nnc(C)n2c3ccccc13;Cc1cc2nnc(n2c3c1cccc3)C","InChI=1S/C12H11N3/c1-8-7-12-14-13-9(2)15(12)11-6-4-3-5-10(8)11/h3-7H,1-2H3","","2015-11-24","2016-10-28","1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline","2016-11-02"],["H9L","4-methylsulfanyl-2-oxidanyl-butanoic acid","C5 H10 O3 S","CSCC[CH](O)C(O)=O;CSCCC(C(=O)O)O","InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)","","2020-12-07","2022-05-27","4-methylsulfanyl-2-oxidanyl-butanoic acid","2022-06-01"],["5SO","Fusicoccin A-THF derivative","C30 H48 O8","COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(CC[C]5(C)C=C12)C(C)C;CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C(C5C(O4)COC(O5)(C)C)O)O)C(C)C)C)COC","InChI=1S/C30H48O8/c1-15(2)18-10-11-30(6)12-20-17(13-34-7)8-9-19(20)16(3)23(31)27(22(18)30)37-28-25(33)24(32)26-21(36-28)14-35-29(4,5)38-26/h12,15-17,19,21,23-28,31-33H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,19+,21-,23-,24-,25-,26-,27-,28+,30-/m1/s1","","2015-11-24","2016-04-29","","2016-05-04"],["H9M","(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide","C31 H49 N5 O3 S","s1c(nc2c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(=O)C(CCN(C)C)C)NC(=O)CC;CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CNC(=O)[CH](C)CCN(C)C)C3CCCCC3;CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C(C)CCN(C)C)C3CCCCC3","InChI=1S/C31H49N5O3S/c1-7-28(37)33-25(18-29-34-24-14-13-23(20(2)3)17-27(24)40-29)31(39)35-26(22-11-9-8-10-12-22)19-32-30(38)21(4)15-16-36(5)6/h13-14,17,20-22,25-26H,7-12,15-16,18-19H2,1-6H3,(H,32,38)(H,33,37)(H,35,39)/t21-,25-,26+/m0/s1","","2018-06-18","2024-09-27","(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide","2021-06-02"],["5SP","5-O-phosphono-D-xylulose","C5 H11 O8 P","O=P(OCC(O)C(O)C(=O)CO)(O)O;OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(=O)CO)O)O)OP(=O)(O)O","InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1","D-xylulose 5-phosphate","2010-03-12","2020-06-17","5-O-phosphono-D-xylulose",""],["5SQ","2-[2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C17 H17 N5 O4","N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(Cc3c[nH]cn3)N)CC(=O)O)O","InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5-/t13-/m0/s1","GREEN CHROMOPHORE (HIS-TYR-GLY)","2015-11-24","2024-09-27","2-[2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2016-08-03"],["H9O","2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid","C10 H9 B O4","OB1O[CH](C(=C)C(O)=O)c2ccccc12;B1(c2ccccc2C(O1)C(=C)C(=O)O)O","InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m0/s1","","2020-12-08","2021-12-10","2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid","2021-12-15"],["H9P","N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide","C31 H44 N6 O3 S","O=C(C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C3CCCCC3)CNC(C(C)Cn4cncc4)=O;CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CNC(=O)[CH](C)Cn3ccnc3)C4CCCCC4;CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C(C)Cn3ccnc3)C4CCCCC4","InChI=1S/C31H44N6O3S/c1-5-28(38)34-25(16-29-35-24-12-11-23(20(2)3)15-27(24)41-29)31(40)36-26(22-9-7-6-8-10-22)17-33-30(39)21(4)18-37-14-13-32-19-37/h11-15,19-22,25-26H,5-10,16-18H2,1-4H3,(H,33,39)(H,34,38)(H,36,40)/t21-,25-,26+/m0/s1","","2018-06-18","2024-09-27","N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide","2021-06-02"],["5SR","[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate","C13 H18 N4 O9 P2 S","Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)([O-])=O)sc2C(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-]","InChI=1S/C13H18N4O9P2S/c1-7-10(3-4-25-28(23,24)26-27(20,21)22)29-12(13(18)19)17(7)6-9-5-15-8(2)16-11(9)14/h5H,3-4,6H2,1-2H3,(H5-,14,15,16,18,19,20,21,22,23,24)","","2015-11-24","2015-12-24","[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate","2015-12-29"],["H9R","2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one","C21 H20 O11","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4;c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)C4C(C(C(C(O4)CO)O)O)O)O)O2)O)O","InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1","","2020-12-11","2021-10-15","2-[3,4-bis(oxidanyl)phenyl]-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one","2021-10-20"],["5SS","4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide","C28 H31 N5 O2","NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)c3cc(ccn3)c4ccc5[nH]nc(O)c5c4;c1ccc(cc1)CC(c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN","InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1","","2015-11-24","2016-04-08","4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide","2016-04-13"],["H9S","(2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide","C32 H47 N5 O4 S","C(C)(C)c1ccc2c(c1)sc(n2)CC(C(=O)NC(CNC(=O)[C@H]=CCN3CCOCC3)C4CCCCC4)NC(CC)=O;CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CNC(=O)C=CCN3CCOCC3)C4CCCCC4;CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C=CCN3CCOCC3)C4CCCCC4","InChI=1S/C32H47N5O4S/c1-4-29(38)34-26(20-31-35-25-13-12-24(22(2)3)19-28(25)42-31)32(40)36-27(23-9-6-5-7-10-23)21-33-30(39)11-8-14-37-15-17-41-18-16-37/h8,11-13,19,22-23,26-27H,4-7,9-10,14-18,20-21H2,1-3H3,(H,33,39)(H,34,38)(H,36,40)/b11-8+/t26-,27+/m0/s1","","2018-06-18","2021-05-28","(2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide","2021-06-02"],["5ST","methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate","C29 H34 N4 O3","COC(=O)Nc1ccc(cc1)c2ccnc(c2)[CH](Cc3ccccc3)NC(=O)[CH]4CC[CH](CN)CC4;COC(=O)Nc1ccc(cc1)c2ccnc(c2)C(Cc3ccccc3)NC(=O)C4CCC(CC4)CN","InChI=1S/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/m0/s1","","2015-11-24","2016-04-08","methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate","2016-04-13"],["H9T","(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","C7 H13 N O4","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12;C(C1C2C(N2)C(C(C1O)O)O)O","InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5-,6-,7-/m0/s1","","2018-12-03","2024-09-27","(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","2019-10-09"],["5SU","methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate","C31 H26 Cl N7 O3","COC(=O)Nc1ccc(cc1)c2ccnc(c2)[CH](Cc3ccccc3)NC(=O)C=Cc4cc(Cl)ccc4n5cnnn5;COC(=O)Nc1ccc(cc1)c2ccnc(c2)C(Cc3ccccc3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C31H26ClN7O3/c1-42-31(41)35-26-11-7-22(8-12-26)23-15-16-33-27(19-23)28(17-21-5-3-2-4-6-21)36-30(40)14-9-24-18-25(32)10-13-29(24)39-20-34-37-38-39/h2-16,18-20,28H,17H2,1H3,(H,35,41)(H,36,40)/b14-9+/t28-/m0/s1","","2015-11-24","2016-04-08","methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate","2016-04-13"],["H9U","(2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid","C27 H44 N4 O17","C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](CCC(O)=O)C(O)=O;CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C","InChI=1S/C27H44N4O17/c1-9(23(40)31-13(25(42)43)5-6-16(36)37)28-24(41)10(2)45-22-18(30-12(4)35)26(44)46-15(8-33)21(22)48-27-17(29-11(3)34)20(39)19(38)14(7-32)47-27/h9-10,13-15,17-22,26-27,32-33,38-39,44H,5-8H2,1-4H3,(H,28,41)(H,29,34)(H,30,35)(H,31,40)(H,36,37)(H,42,43)/t9-,10+,13+,14+,15+,17+,18+,19+,20+,21+,22+,26-,27-/m0/s1","","2020-12-11","2021-06-18","(2~{R})-2-[[(2~{S})-2-[[(2~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid","2021-06-23"],["5SV","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate","C30 H54 N5 O7 P","CCCCCCCCCCCCCCCCCCCCO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C30H54N5O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-43(38,39)41-21-24-26(36)27(37)30(42-24)35-23-34-25-28(31)32-22-33-29(25)35/h22-24,26-27,30,36-37H,2-21H2,1H3,(H,38,39)(H2,31,32,33)/t24-,26-,27-,30-/m1/s1","","2015-11-25","2019-09-04","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate","2015-12-16"],["H9V","(2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile","C17 H12 Cl F3 N2","c1cc(ccc1C2C(CF)NC2C#N)c3c(cc(cc3F)Cl)F;FC[CH]1N[CH](C#N)[CH]1c2ccc(cc2)c3c(F)cc(Cl)cc3F;c1cc(ccc1c2c(cc(cc2F)Cl)F)C3C(NC3C#N)CF","InChI=1S/C17H12ClF3N2/c18-11-5-12(20)16(13(21)6-11)9-1-3-10(4-2-9)17-14(7-19)23-15(17)8-22/h1-6,14-15,17,23H,7H2/t14-,15-,17+/m0/s1","","2018-06-20","2018-06-29","(2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile","2018-07-04"],["5SW","4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one","C20 H23 N3 O3","COc1cc(cc(OC)c1CN(C)C)C2=CN(C)C(=O)c3cnccc23;CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC","InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3","","2015-11-25","2016-03-04","4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one","2016-03-09"],["H9X","4-bromo-N-[(4-bromophenyl)di(hydroxy)-lambda~4~-sulfanyl]-2,6-dinitroaniline","C12 H9 Br2 N3 O6 S","O=[N+]([O-])c1cc(Br)cc(c1NS(O)(O)c1ccc(Br)cc1)[N+]([O-])=O;O[S](O)(Nc1c(cc(Br)cc1[N+]([O-])=O)[N+]([O-])=O)c2ccc(Br)cc2;c1cc(ccc1S(Nc2c(cc(cc2[N+](=O)[O-])Br)[N+](=O)[O-])(O)O)Br","InChI=1S/C12H9Br2N3O6S/c13-7-1-3-9(4-2-7)24(22,23)15-12-10(16(18)19)5-8(14)6-11(12)17(20)21/h1-6,15,22-23H","","2020-12-11","2026-04-05","4-bromo-N-[(4-bromophenyl)di(hydroxy)-lambda~4~-sulfanyl]-2,6-dinitroaniline","2024-09-04"],["5SY","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate","C19 H22 O9","CO[CH]1O[CH](CO)[CH](O)[CH](OCC2=Cc3ccccc3OC2=O)[CH]1OC(C)=O;CC(=O)OC1C(C(C(OC1OC)CO)O)OCC2=Cc3ccccc3OC2=O","InChI=1S/C19H22O9/c1-10(21)26-17-16(15(22)14(8-20)28-19(17)24-2)25-9-12-7-11-5-3-4-6-13(11)27-18(12)23/h3-7,14-17,19-20,22H,8-9H2,1-2H3/t14-,15+,16+,17-,19+/m1/s1","","2015-11-25","2016-09-30","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate","2016-10-05"],["5SZ","6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one","C20 H15 F N6 O2","C[CH](N1C=Cc2ncccc2C1=O)c3nnc4n3cc(cc4F)c5onc(C)c5;Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)N4C=Cc5c(cccn5)C4=O)F","InChI=1S/C20H15FN6O2/c1-11-8-17(29-25-11)13-9-15(21)19-24-23-18(27(19)10-13)12(2)26-7-5-16-14(20(26)28)4-3-6-22-16/h3-10,12H,1-2H3/t12-/m1/s1","","2015-11-25","2016-02-05","6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one","2016-02-10"],["H9Y","8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile","C21 H14 F2 N4 O4","N#Cc2cc1c(cc(cn1c2)F)Oc3ccc(cc3OCCN4C(NC(=O)C=C4)=O)F;Fc1ccc(Oc2cc(F)cn3cc(cc23)C#N)c(OCCN4C=CC(=O)NC4=O)c1;c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F","InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29)","","2018-06-20","2019-07-26","8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile","2019-07-31"],["H9Z","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide","C29 H29 N7 O","CN1CCC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5;Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCCN(C6)C","InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37)/t21-/m0/s1","","2018-12-03","2019-01-18","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide","2019-01-23"],["5T0","3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one","C20 H31 N3 O","CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3;CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3","InChI=1S/C20H31N3O/c1-21-16-18-4-7-19(8-5-18)22-14-10-17(11-15-22)6-9-20(24)23-12-2-3-13-23/h4-5,7-8,17,21H,2-3,6,9-16H2,1H3","","2015-11-25","2016-01-29","3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one","2016-02-03"],["HA0","HETEROARYLALANINE 5-PHENYL OXAZOLE","C24 H30 N2 O6","O=C(O)C(CCC)CC3(C(=O)NC(C(=O)O)Cc1ncc(o1)c2ccccc2)CCCC3;CCC[CH](CC1(CCCC1)C(=O)N[CH](Cc2oc(cn2)c3ccccc3)C(O)=O)C(O)=O;CCCC(CC1(CCCC1)C(=O)NC(Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O","InChI=1S/C24H30N2O6/c1-2-8-17(21(27)28)14-24(11-6-7-12-24)23(31)26-18(22(29)30)13-20-25-15-19(32-20)16-9-4-3-5-10-16/h3-5,9-10,15,17-18H,2,6-8,11-14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t17-,18-/m1/s1","","2011-03-03","2011-06-04","(2R)-2-[(1-{[(1R)-1-carboxy-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]carbamoyl}cyclopentyl)methyl]pentanoic acid",""],["5T1","6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one","C23 H22 F N7 O3","COCCOc1cnc2C=CN([CH](C)c3nnc4n3cc(cc4F)c5cnn(C)c5)C(=O)c2c1;CC(c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O","InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1","","2015-11-25","2016-02-05","6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one","2016-02-10"],["HA1","9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE","C10 H14 F2 N5 O4 P","FC(F)(P(=O)(O)O)CCCCn1c2N=C(NC(=O)c2nc1)N;NC1=Nc2n(CCCCC(F)(F)[P](O)(O)=O)cnc2C(=O)N1;c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)","","2003-11-17","2011-06-04","[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-difluoropentyl]phosphonic acid",""],["5T2","2-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C20 H16 F3 N3 O","FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc3ccncc3)c1;c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3","InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)","","2015-11-25","2015-12-11","2-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2015-12-16"],["HA2","6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)","C22 H28 N2 O5","O=C(O)CCCCC(=O)N(O)CC(N)Cc2ccc(OCc1ccccc1)cc2;N[CH](CN(O)C(=O)CCCCC(O)=O)Cc1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)CC(CN(C(=O)CCCCC(=O)O)O)N","InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1","","2007-12-07","2011-06-04","6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid",""],["5T3","N~6~-ethyl-N~6~-propan-2-yl-L-lysine","C11 H24 N2 O2","NC(CCCCN(C(C)C)CC)C(=O)O;CCN(CCCC[CH](N)C(O)=O)C(C)C;CCN(CCCCC(C(=O)O)N)C(C)C","InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1","","2019-12-19","2024-09-27","N~6~-ethyl-N~6~-propan-2-yl-L-lysine","2020-01-15"],["HA3","N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide","C18 H16 N4 O3 S","O=C(c1sc(C(=O)NO)cc1)N4Cc3ncc(c2ccccc2)n3CC4;ONC(=O)c1sc(cc1)C(=O)N2CCn3c(C2)ncc3c4ccccc4;c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO","InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23)","","2008-03-17","2011-06-04","N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide",""],["5T4","~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide","C15 H23 N5 O","O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3;c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3","InChI=1S/C15H23N5O/c21-15(20-8-1-2-9-20)18-12-13-4-10-19(11-5-13)14-16-6-3-7-17-14/h3,6-7,13H,1-2,4-5,8-12H2,(H,18,21)","","2015-11-26","2016-01-29","~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide","2016-02-03"],["HA4","2-cyclohexadecylethanoic acid","C18 H34 O2","OC(=O)CC1CCCCCCCCCCCCCCC1;C1CCCCCCCC(CCCCCCC1)CC(=O)O","InChI=1S/C18H34O2/c19-18(20)16-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-16H2,(H,19,20)","2-cyclohexadecylacetic acid","2021-08-27","2022-08-19","2-cyclohexadecylethanoic acid","2022-08-24"],["5T5","[(1~{R},2~{R})-2-[(4~{S})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{H}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone","C19 H16 Cl F2 N3 O3","NC1=N[C](CO1)([CH]2C[CH]2C(=O)c3cncc(Cl)c3)c4ccc(OC(F)F)cc4;c1cc(ccc1C2(COC(=N2)N)C3CC3C(=O)c4cc(cnc4)Cl)OC(F)F","InChI=1S/C19H16ClF2N3O3/c20-12-5-10(7-24-8-12)16(26)14-6-15(14)19(9-27-18(23)25-19)11-1-3-13(4-2-11)28-17(21)22/h1-5,7-8,14-15,17H,6,9H2,(H2,23,25)/t14-,15-,19-/m1/s1","","2015-11-27","2016-02-19","[(1~{R},2~{R})-2-[(4~{S})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{H}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone","2016-02-24"],["HA5","(5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid","C7 H8 N2 O4","OC(=O)[CH]1Cc2c(O)noc2CN1;C1c2c(onc2O)CNC1C(=O)O","InChI=1S/C7H8N2O4/c10-6-3-1-4(7(11)12)8-2-5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m1/s1","","2010-10-29","2012-01-05","",""],["5T6","(4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine","C22 H18 Cl F2 N3 O2","Cc1cc(ccc1OC(F)F)[C]2(COC(=N2)N)c3cccc(c3)c4cncc(Cl)c4;Cc1cc(ccc1OC(F)F)C2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl","InChI=1S/C22H18ClF2N3O2/c1-13-7-17(5-6-19(13)30-20(24)25)22(12-29-21(26)28-22)16-4-2-3-14(8-16)15-9-18(23)11-27-10-15/h2-11,20H,12H2,1H3,(H2,26,28)/t22-/m0/s1","","2015-11-27","2016-02-19","(4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine","2016-02-24"],["HA6","2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one","C10 H7 N5 O2","O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3;c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3","InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16)","","2015-11-30","2016-01-22","2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one","2016-01-27"],["5T7","(1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide","C18 H17 Cl F2 N4 O2","C[C]1(N=C(N)OCC1(F)F)[CH]2C[CH]2C(=O)Nc3cccc4cc(Cl)cnc34;CC1(C(COC(=N1)N)(F)F)C2CC2C(=O)Nc3cccc4c3ncc(c4)Cl","InChI=1S/C18H17ClF2N4O2/c1-17(18(20,21)8-27-16(22)25-17)12-6-11(12)15(26)24-13-4-2-3-9-5-10(19)7-23-14(9)13/h2-5,7,11-12H,6,8H2,1H3,(H2,22,25)(H,24,26)/t11-,12-,17-/m1/s1","","2015-11-27","2016-02-19","(1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide","2016-02-24"],["HA7","(7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid","C7 H8 N2 O4","OC(=O)[CH]1NCCc2c(O)noc12;C1CNC(c2c1c(no2)O)C(=O)O","InChI=1S/C7H8N2O4/c10-6-3-1-2-8-4(7(11)12)5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m0/s1","","2010-10-29","2012-01-05","",""],["5T8","(5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine","C20 H19 Cl N4 O","C[C]1(COCC(=N1)N)c2cccc(Nc3cccc4cc(Cl)cnc34)c2;CC1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl","InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)/t20-/m0/s1","","2015-11-27","2016-02-19","(5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine","2016-02-24"],["HA8","N6-(buta-2,3-dienyl)adenine","C9 H9 N5","n1c(N=CCC=C)c2c(nc1)ncn2;C=CCC=Nc1ncnc2nc[nH]c12;C=CCC=Nc1c2c(nc[nH]2)ncn1","InChI=1S/C9H9N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2,4-6H,1,3H2,(H,11,12,13,14)/b10-4+","","2008-02-20","2011-06-04","N-[(1E)-but-3-en-1-ylidene]-7H-purin-6-amine",""],["5T9","(2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide","C25 H29 Cl2 N5 O5 S","COc1ccc(c(Cl)c1)[S](O)(O)[CH]2C[CH](N(C2)C(=O)C3(CNC3)c4ccc(Cl)cn4)C(=O)NC5(CC5)C=N;COc1ccc(c(c1)Cl)S(C2CC(N(C2)C(=O)C3(CNC3)c4ccc(cn4)Cl)C(=O)NC5(CC5)C=N)(O)O","InChI=1S/C25H29Cl2N5O5S/c1-37-16-3-4-20(18(27)8-16)38(35,36)17-9-19(22(33)31-24(12-28)6-7-24)32(11-17)23(34)25(13-29-14-25)21-5-2-15(26)10-30-21/h2-5,8,10,12,17,19,28-29,35-36H,6-7,9,11,13-14H2,1H3,(H,31,33)/b28-12-/t17-,19+/m1/s1","","2015-11-27","2024-09-27","(2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide","2016-02-24"],["HAA","2-(3,4-DIHYDROXYPHENYL)ACETIC ACID","C8 H8 O4","O=C(O)Cc1cc(O)c(O)cc1;OC(=O)Cc1ccc(O)c(O)c1;c1cc(c(cc1CC(=O)O)O)O","InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/f/h11H","","1999-07-08","2008-10-14","(3,4-dihydroxyphenyl)acetic acid",""],["5TA","(5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one","C24 H20 Cl N3 O3","NCc1cccc(OC[CH]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)c1;c1cc(cc(c1)OCC2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN","InChI=1S/C24H20ClN3O3/c25-23-19(6-3-11-27-23)10-9-17-4-1-7-20(12-17)28-15-22(31-24(28)29)16-30-21-8-2-5-18(13-21)14-26/h1-8,11-13,22H,14-16,26H2/t22-/m0/s1","","2015-11-27","2016-02-19","(5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one","2016-02-24"],["HAB","2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID","C13 H10 N2 O3","O=C(O)c2ccccc2/N=N/c1ccc(O)cc1;Oc1ccc(cc1)N=Nc2ccccc2C(O)=O;c1ccc(c(c1)C(=O)O)N=Nc2ccc(cc2)O","InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+","","1999-07-08","2011-06-04","2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid",""],["5TB","3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one","C20 H31 N3 O","CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3;CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3","InChI=1S/C20H31N3O/c1-21-15-18-7-10-19(11-8-18)22-13-4-14-23(16-22)20(24)12-9-17-5-2-3-6-17/h7-8,10-11,17,21H,2-6,9,12-16H2,1H3","","2015-11-27","2016-01-29","3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one","2016-02-03"],["HAC","BETA-CYCLOHEXYL-ALANINE","C9 H17 N O2","O=C(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)N","InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1/f/h11H","","1999-07-08","2009-01-07","3-cyclohexyl-L-alanine",""],["5TC","3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide","C27 H34 N4 O","O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)NCc3ccc(cc3)N4CCCCC4;c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4","InChI=1S/C27H34N4O/c28-20-23-4-9-26(10-5-23)31-18-14-22(15-19-31)8-13-27(32)29-21-24-6-11-25(12-7-24)30-16-2-1-3-17-30/h4-7,9-12,22H,1-3,8,13-19,21H2,(H,29,32)","","2015-11-28","2016-01-29","3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide","2016-02-03"],["5TD","4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile","C19 H25 N3 O","O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3;c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3","InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2","","2015-11-28","2016-01-29","4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile","2016-02-03"],["HAD","(CARBOXYHYDROXYAMINO)ETHANOIC ACID","C3 H5 N O5","O=C(O)N(O)CC(=O)O;ON(CC(O)=O)C(O)=O;C(C(=O)O)N(C(=O)O)O","InChI=1S/C3H5NO5/c5-2(6)1-4(9)3(7)8/h9H,1H2,(H,5,6)(H,7,8)","","1999-07-08","2010-10-20","N-carboxy-N-hydroxyglycine",""],["HAE","ACETOHYDROXAMIC ACID","C2 H5 N O2","O=C(NO)C;CC(=O)NO;CC(=O)NO","InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)","","1999-07-08","2024-09-27","N-hydroxyacetamide",""],["5TE","3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide","C19 H28 N2 O","O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3;c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3","InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22)","","2015-11-28","2016-01-29","3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide","2016-02-03"],["HAF","tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate","C24 H33 N5 O3","CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CN(C4)C(=O)OC(C)(C)C)C(=O)N3C;CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)NC3CC(CN(C3)C)c4ccccc4","InChI=1S/C24H33N5O3/c1-24(2,3)32-23(31)29-14-19-20(15-29)26-22(28(5)21(19)30)25-18-11-17(12-27(4)13-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3,(H,25,26)/t17-,18+/m0/s1","","2020-12-14","2021-10-15","~{tert}-butyl 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate","2021-10-20"],["5TF","(S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine","C17 H19 N7","n1nc4ccc(nn4c1C(c3c2cccnc2nc3)C)NC(C)C;CC(C)Nc1ccc2nnc([CH](C)c3c[nH]c4ncccc34)n2n1;CC(C)Nc1ccc2nnc(n2n1)C(C)c3c[nH]c4c3cccn4","InChI=1S/C17H19N7/c1-10(2)20-14-6-7-15-21-22-17(24(15)23-14)11(3)13-9-19-16-12(13)5-4-8-18-16/h4-11H,1-3H3,(H,18,19)(H,20,23)/t11-/m0/s1","","2012-11-20","2014-09-05","N-(propan-2-yl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine","2013-11-27"],["HAG","4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL","C19 H33 N3 O8 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC;CCCCC[CH]1O[CH](O)C[CH]1SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCCCCC1C(CC(O1)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1","GSHNA","1999-07-27","2020-06-17","L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine",""],["5TG","~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate","C25 H39 N3 O3","CN(Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3)C(=O)OC(C)(C)C;CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3","InChI=1S/C25H39N3O3/c1-25(2,3)31-24(30)26(4)19-21-7-10-22(11-8-21)27-17-13-20(14-18-27)9-12-23(29)28-15-5-6-16-28/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3","","2015-11-28","2016-01-29","~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate","2016-02-03"],["HAH","(1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol","C13 H17 N O4","OC2C(NCc1ccccc1O)C=CC(O)C2O;O[CH]1C=C[CH](NCc2ccccc2O)[CH](O)[CH]1O;c1ccc(c(c1)CNC2C=CC(C(C2O)O)O)O","InChI=1S/C13H17NO4/c15-10-4-2-1-3-8(10)7-14-9-5-6-11(16)13(18)12(9)17/h1-6,9,11-18H,7H2/t9-,11-,12+,13+/m1/s1","","2008-10-06","2011-06-04","(1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol",""],["5TH","[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate","C6 H12 O10 S2","OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1OSO;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)OSO)O","InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)3(8)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5-,6+/m1/s1","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate","2015-11-28","2020-07-17","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate","2016-11-02"],["5TI","5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione","C14 H12 N2 O4","COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1;COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O","InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)","","2021-08-24","2025-04-25","5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione","2021-12-29"],["HAI","CYCLOHEXYLAMMONIUM ION","C6 H14 N","[NH3+]C1CCCCC1;[NH3+]C1CCCCC1;C1CCC(CC1)[NH3+]","InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1","","1999-07-08","2011-06-04","cyclohexanaminium",""],["5TJ","[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate","C6 H12 O10 S2","OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1OSO;C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)OSO)O","InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)5(16-18(11,12)13)3(8)6(9)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1","[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate","2015-11-28","2020-07-17","[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate","2016-11-02"],["HAJ","5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine","C17 H12 F N5 O2","Fc1cccc2nc(n3nc(nc3c12)N)Cc4ccc5OCOc5c4;Nc1nn2c(Cc3ccc4OCOc4c3)nc5cccc(F)c5c2n1;c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N","InChI=1S/C17H12FN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22)","","2014-04-03","2014-07-03","5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine","2014-07-08"],["HAK","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide","C27 H20 N8 O","Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)Nc5cncnc5)cc6nccnc36;Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6","InChI=1S/C27H20N8O/c1-35-9-5-17-2-3-18(10-25(17)35)22-11-19(12-23-26(22)32-8-7-31-23)33-24-15-28-6-4-21(24)27(36)34-20-13-29-16-30-14-20/h2-16,33H,1H3,(H,34,36)","","2018-12-03","2019-01-18","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide","2019-01-23"],["5TK","(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol","C6 H12 O7 S","OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1OSO;C(C1C(C(C(C(O1)O)O)O)OSO)O","InChI=1S/C6H12O7S/c7-1-2-5(13-14-11)3(8)4(9)6(10)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1","(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol","2015-11-28","2020-07-17","(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol","2016-11-02"],["5TL","2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide","C19 H17 N3 O3 S","NC(=O)c1cc(cc(c1N)c2ccc(cc2)[S](N)(=O)=O)c3ccccc3;c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C19H17N3O3S/c20-18-16(13-6-8-15(9-7-13)26(22,24)25)10-14(11-17(18)19(21)23)12-4-2-1-3-5-12/h1-11H,20H2,(H2,21,23)(H2,22,24,25)","","2015-11-28","2016-10-28","2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide","2016-11-02"],["HAL","N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE","C23 H29 N2 O7 P","O=C(O)CCCC(=O)NC(P(=O)(O)OCC(=O)NCCc1ccccc1)Cc2ccccc2;OC(=O)CCCC(=O)N[CH](Cc1ccccc1)[P](O)(=O)OCC(=O)NCCc2ccccc2;c1ccc(cc1)CCNC(=O)COP(=O)(C(Cc2ccccc2)NC(=O)CCCC(=O)O)O","InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1","","2002-08-29","2011-06-04","(7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide",""],["HAM","HISTIDYL-ADENOSINE MONOPHOSPHATE","C16 H21 N8 O8 P","[O-]P(=O)(OC(=O)C([NH3+])Cc1ncnc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([O-])(=O)OC(=O)[CH]([NH3+])Cc4c[nH]cn4)[CH](O)[CH]3O;c1c(nc[nH]1)CC(C(=O)OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)[NH3+]","InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/t8-,9+,11+,12+,15+/m0/s1","","1999-07-08","2011-06-04","5'-O-({[(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoyl]oxy}phosphinato)adenosine",""],["5TM","[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate","C6 H12 O10 S2","OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](OSO)[CH]1O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OSO)O)O","InChI=1S/C6H12O10S2/c7-1-2-3(8)4(15-17-10)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1","[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate","2015-11-28","2020-07-17","[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate","2016-11-02"],["HAN","2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID","C14 H19 N3 O2","O=C(O)CCCCn1c2cc(c(cc2nc1N)C)C;Cc1cc2nc(N)n(CCCCC(O)=O)c2cc1C;Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O","InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)","","2004-12-30","2011-06-04","5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid",""],["5TN","(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID","C26 H32 O4","O=C(O)C=Cc3cc(c1c(OCCC)cc2c(c1)C(CCC2(C)C)(C)C)c(O)cc3;CCCOc1cc2c(cc1c3cc(C=CC(O)=O)ccc3O)C(C)(C)CCC2(C)C;CCCOc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C26H32O4/c1-6-13-30-23-16-21-20(25(2,3)11-12-26(21,4)5)15-19(23)18-14-17(7-9-22(18)27)8-10-24(28)29/h7-10,14-16,27H,6,11-13H2,1-5H3,(H,28,29)/b10-8+","","2007-03-27","2011-06-04","(2E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid",""],["5TO","3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one","C12 H21 N O","O=C(CCC1CCCC1)N2CCCC2;C1CCC(C1)CCC(=O)N2CCCC2","InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2","","2015-11-30","2016-01-29","3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one","2016-02-03"],["HAO","{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid","C10 H11 N3 O5","O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1;COc1ccc(NC(=O)C(O)=O)cc1C(=O)NN;COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O","InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)","","2010-07-01","2024-09-27","{[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid",""],["5TP","3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one","C11 H16 N2 O S","O=C(c1nccs1)CCC2NCCCC2;O=C(CC[CH]1CCCCN1)c2sccn2;c1csc(n1)C(=O)CCC2CCCCN2","InChI=1S/C11H16N2OS/c14-10(11-13-7-8-15-11)5-4-9-3-1-2-6-12-9/h7-9,12H,1-6H2/t9-/m1/s1","","2011-02-03","2012-01-13","3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one",""],["HAP","(N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYLALANYL)METHYL AMINE","C18 H27 N3 O4","O=C(NO)CC(C(=O)NC(C(=O)NC)Cc1ccccc1)CC(C)C;CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)CC(=O)NO;CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)NC","InChI=1/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1/f/h19-21H","","1999-07-08","2008-10-14","(2R)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)butanediamide",""],["HAQ","5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID","C13 H14 N2 O3","O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O;N[CH]1CCc2cccc3C[CH](N(C1=O)c23)C(O)=O;c1cc2c3c(c1)CC(N3C(=O)C(CC2)N)C(=O)O","InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1","","1999-10-14","2024-09-27","(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid",""],["5TQ","4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid","C16 H17 F N2 O3","OC(=O)CCCN1CCC2=C(C1)c3ccc(F)cc3C(=O)N2;c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O","InChI=1S/C16H17FN2O3/c17-10-3-4-11-12(8-10)16(22)18-14-5-7-19(9-13(11)14)6-1-2-15(20)21/h3-4,8H,1-2,5-7,9H2,(H,18,22)(H,20,21)","","2015-11-30","2016-03-18","4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid","2016-03-23"],["HAR","N-OMEGA-HYDROXY-L-ARGININE","C6 H14 N4 O3","O=C(O)C(N)CCCNC(=[N@H])NO;N[CH](CCCNC(=N)NO)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NO","InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1","","1999-07-08","2024-09-27","N~5~-(N-hydroxycarbamimidoyl)-L-ornithine",""],["5TR","[(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate","C55 H91 O4 P","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C)C)C)C","InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33+,51-35-,52-37+,53-39+,54-41+,55-43+","Undecaprenyl phosphate","2015-11-30","2021-03-01","[(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate","2016-02-17"],["HAS","HEME-AS","C54 H64 Fe N4 O6","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=Cc4c(C=C)c3C)C(=C(CCC(O)=O)C5=CC6=NC(=C2)C(=C6CCC(O)=O)C=O)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)C(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)CCC(=O)O)C","InChI=1S/C54H66N4O6.Fe/c1-10-39-36(7)44-29-50-54(51(60)22-14-21-35(6)20-13-19-34(5)18-12-17-33(4)16-11-15-32(2)3)38(9)45(57-50)28-49-42(31-59)41(24-26-53(63)64)48(58-49)30-47-40(23-25-52(61)62)37(8)43(56-47)27-46(39)55-44;/h10,15,17,19,21,27-31,51,60H,1,11-14,16,18,20,22-26H2,2-9H3,(H4,55,56,57,58,59,61,62,63,64);/q;+2/p-2/b33-17+,34-19+,35-21+,43-27-,44-29-,45-28-,46-27-,47-30-,48-30-,49-28-,50-29-;/t51-;/m0./s1","","2000-03-06","2023-09-23","",""],["5TS","5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid","C7 H5 N O4 S2","O=S(=O)(O)c2sc(c1oncc1)cc2;O[S](=O)(=O)c1sc(cc1)c2oncc2;c1cc(sc1c2ccno2)S(=O)(=O)O","InChI=1S/C7H5NO4S2/c9-14(10,11)7-2-1-6(13-7)5-3-4-8-12-5/h1-4H,(H,9,10,11)","","2011-06-07","2012-06-01","5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid",""],["HAT","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide","C28 H27 N7 O","CN1CC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5;Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCN(C6)C","InChI=1S/C28H27N7O/c1-34-11-7-20(17-34)33-28(36)22-5-8-29-16-25(22)32-21-14-23(27-24(15-21)30-9-10-31-27)19-4-3-18-6-12-35(2)26(18)13-19/h3-6,8-10,12-16,20,32H,7,11,17H2,1-2H3,(H,33,36)/t20-/m0/s1","","2018-12-03","2019-01-18","3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide","2019-01-23"],["5TT","~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine","C13 H20 N2","CNCc1ccc(cc1)N2CCCCC2;CNCc1ccc(cc1)N2CCCCC2","InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3","","2015-12-01","2016-01-29","~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine","2016-02-03"],["HAU","1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide","C14 H19 N3 O2","O=C(N2CCC(C(=O)Nc1ncc(cc1)C)CC2)C;CC(=O)N1CCC(CC1)C(=O)Nc2ccc(C)cn2;Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C","InChI=1S/C14H19N3O2/c1-10-3-4-13(15-9-10)16-14(19)12-5-7-17(8-6-12)11(2)18/h3-4,9,12H,5-8H2,1-2H3,(H,15,16,19)","","2012-10-08","2014-09-05","1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide","2013-06-26"],["5TU","4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide","C14 H14 N2 O2","CN1C=C(C=C(C)C1=O)c2ccc(cc2)C(N)=O;CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N","InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)","","2015-12-01","2016-03-04","4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide","2016-03-09"],["5TV","(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate","C18 H13 Cl2 F N2 O2","Clc1cc(cc(Cl)c1)C(=O)OC(Cn1ccnc1)c1ccc(F)cc1;Fc1ccc(cc1)[CH](Cn2ccnc2)OC(=O)c3cc(Cl)cc(Cl)c3;c1cc(ccc1C(Cn2ccnc2)OC(=O)c3cc(cc(c3)Cl)Cl)F","InChI=1S/C18H13Cl2FN2O2/c19-14-7-13(8-15(20)9-14)18(24)25-17(10-23-6-5-22-11-23)12-1-3-16(21)4-2-12/h1-9,11,17H,10H2/t17-/m1/s1","","2021-07-23","2022-07-22","(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate","2022-07-27"],["HAV","HYDROXYAMINOVALINE","C5 H12 N2 O2","O=C(NO)C(N)C(C)C;CC(C)[CH](N)C(=O)NO;CC(C)C(C(=O)NO)N","InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1","","1999-07-08","2011-06-04","N-hydroxy-D-valinamide",""],["HAW","2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide","C28 H23 N7 O2 S","Cn1ccc2ccc(cc12)c3cc(Nc4ccccc4[S](=O)(=O)NCc5cncnc5)cc6nccnc36;Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6","InChI=1S/C28H23N7O2S/c1-35-11-8-20-6-7-21(12-26(20)35)23-13-22(14-25-28(23)32-10-9-31-25)34-24-4-2-3-5-27(24)38(36,37)33-17-19-15-29-18-30-16-19/h2-16,18,33-34H,17H2,1H3","","2018-12-03","2019-01-18","2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide","2019-01-23"],["5TW","3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA","C43 H66 N7 O18 P3 S","C[CH]([CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OCC5OC(C(O)C5O[P](O)(O)=O)n6cnc7c(N)ncnc67;CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O","InChI=1S/C43H66N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-23,26-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t23-,26-,27+,28-,29-,30?,33?,34?,35?,39?,42-,43+/m0/s1","","2015-12-01","2016-02-12","~{S}-[2-[3-[[4-[[[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-[(8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanethioate","2016-02-17"],["5TX","((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid","C5 H10 N O6 P","C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O;CC1(CC(N(C1=O)O)O)P(=O)(O)O","InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1","","2015-12-01","2016-11-18","[(3~{S},5~{S})-3-methyl-1,5-bis(oxidanyl)-2-oxidanylidene-pyrrolidin-3-yl]phosphonic acid","2016-11-23"],["HAX","N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A","C23 H39 N8 O18 P3","O=C(NO)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCCC(=O)NO;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCC(=O)NO)O","InChI=1S/C23H39N8O18P3/c1-23(2,18(35)21(36)26-7-5-13(32)25-6-3-4-14(33)30-37)9-46-52(43,44)49-51(41,42)45-8-12-17(48-50(38,39)40)16(34)22(47-12)31-11-29-15-19(24)27-10-28-20(15)31/h10-12,16-18,22,34-35,37H,3-9H2,1-2H3,(H,25,32)(H,26,36)(H,30,33)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t12-,16-,17-,18+,22-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-[(3-{[4-(hydroxyamino)-4-oxobutyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["5TY","2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one","C10 H12 N4 O","CN(C)c1ncc2C(=O)N(C)C=Cc2n1;CN1C=Cc2c(cnc(n2)N(C)C)C1=O","InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3","","2015-12-02","2016-03-04","2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one","2016-03-09"],["HAY","(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C24 H26 N2 O6 S","c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(=O)NO)(C)S(C)(=O)=O)C(C=3)=O;C[C](CCN1C=CC(=CC1=O)c2ccc(OCc3ccccc3)cc2)(C(=O)NO)[S](C)(=O)=O;CC(CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m1/s1","","2018-06-21","2019-06-21","(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2019-06-26"],["5TZ","2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid","C9 H7 N3 O2 S","Nc1scc(n1)c2cc(ccn2)C(O)=O;c1cnc(cc1C(=O)O)c2csc(n2)N","InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)","","2015-12-02","2016-01-15","2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid","2016-01-20"],["HAZ","4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID","C24 H33 N3 O6","O=C(O)CCCC(=O)Nc1ccc(cc1)NC(=O)C[N+]2([O-])C3C(CCC2)(C4OC4(CC3)C)C;C[C]12CC[CH]3[C](C)(CCC[N+]3([O-])CC(=O)Nc4ccc(NC(=O)CCCC(O)=O)cc4)[CH]1O2;CC12CCC[N+](C1CCC3(C2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-]","InChI=1S/C24H33N3O6/c1-23-12-4-14-27(32,18(23)11-13-24(2)22(23)33-24)15-20(29)26-17-9-7-16(8-10-17)25-19(28)5-3-6-21(30)31/h7-10,18,22H,3-6,11-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)/t18-,22+,23+,24-,27+/m1/s1","","1999-07-08","2011-06-04","5-{[4-({[(1aR,3aR,4S,7aS,7bS)-1a,7a-dimethyl-4-oxidodecahydrooxireno[f]quinolin-4-yl]acetyl}amino)phenyl]amino}-5-oxopentanoic acid",""],["5U0","s-farnesyl-l-cysteine methyl ester","C19 H33 N O2 S","COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)N)C)C)C","InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1","","2015-12-02","2020-04-03","methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate","2020-04-08"],["HB0","trans-4-(hydroxymethyl)cyclohexanol","C7 H14 O2","OCC1CCC(O)CC1;OC[CH]1CC[CH](O)CC1;C1CC(CCC1CO)O","InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2/t6-,7-","","2013-07-24","2014-01-24","trans-4-(hydroxymethyl)cyclohexanol","2014-01-29"],["HB1","RUTHENIUM-PYRIDOCARBAZOLE-1","C23 H13 N3 O3 Ru","[Ru].O=C1NC(=O)c2c1c3cccnc3c4[nH]c5ccccc5c24.[C-]#[O+].C6=C[CH]=[C]=[CH]6;c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O","InChI=1S/C17H9N3O2.C5H4.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15;1-2-4-5-3-1;1-2;/h1-7,19H,(H,20,21,22);1-4H;;","","2005-08-18","2023-09-23","",""],["5U1","2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium","C9 H14 N5 O","n1c(OC(C)C)c(c[n+]2nc(N)nc12)C;CC(C)Oc1nc2[nH]c(N)n[n+]2cc1C;Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C","InChI=1S/C9H13N5O/c1-5(2)15-7-6(3)4-14-9(11-7)12-8(10)13-14/h4-5H,1-3H3,(H2,10,13)/p+1","","2014-12-04","2015-10-09","2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium","2015-10-14"],["HB2","1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol","C18 H24 N4 O","n3c1ccccc1c2c(nc(n2CC(O)(C)C)CCCC)c3N;CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O;CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N","InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20)","","2014-08-27","2015-08-21","1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol","2015-08-26"],["5U2","5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one","C19 H24 N2 O4","COc1cc(cc(OC)c1CN2CC(O)C2)C3=CN(C)C(=O)C(=C3)C;CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC","InChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3","","2015-12-02","2016-03-04","5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one","2016-03-09"],["HB3","2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine","C4 H8 N4 S","NCCSc1[nH]ncn1;c1nc([nH]n1)SCCN","InChI=1S/C4H8N4S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2,5H2,(H,6,7,8)","","2020-12-15","2021-12-17","2-(1~{H}-1,2,4-triazol-5-ylsulfanyl)ethanamine","2021-12-22"],["5U3","3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one","C18 H26 N6 O2","CC(C)[CH](C)N1C=C(c2cc(n(C)n2)C(C)(C)O)c3[nH]nc(N)c3C1=O;CC(C)C(C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O","InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m0/s1","","2015-12-02","2016-01-08","3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one","2016-01-13"],["5U4","3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one","C17 H16 N6 O","Cn1ccc(n1)C2=CN(C(=O)c3c(N)n[nH]c23)c4ccccc4C;Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C","InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20)","","2015-12-02","2016-01-08","3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one","2016-01-13"],["HB4","N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide","C16 H15 N5","c41c(CCC1NC=N)ccc(c3c2ccnc2ncn3)c4;N=CN[CH]1CCc2ccc(cc12)c3ncnc4[nH]ccc34;c1cc2c(cc1c3c4cc[nH]c4ncn3)C(CC2)NC=N","InChI=1S/C16H15N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-9,14H,3-4H2,(H2,17,19)(H,18,20,21)/t14-/m0/s1","","2018-06-21","2024-09-27","N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide","2018-11-28"],["HB5","(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide","C28 H33 N5 O3 S2","CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc3)[CH]4C[C]4(NC(=O)[CH](N)Cc5sccc5)C=N;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)C4CC4(C=N)NC(=O)C(Cc5cccs5)N","InChI=1S/C28H33N5O3S2/c1-32-12-14-33(15-13-32)38(35,36)24-10-8-21(9-11-24)20-4-6-22(7-5-20)25-18-28(25,19-29)31-27(34)26(30)17-23-3-2-16-37-23/h2-11,16,19,25-26,29H,12-15,17-18,30H2,1H3,(H,31,34)/b29-19+/t25-,26+,28+/m1/s1","","2018-12-03","2024-09-27","(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide","2019-04-24"],["5U5","3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide","C29 H28 N4 O2","CCNC(=O)C#Cc1ccc2c(NC(=O)C2=C(Nc3ccc(CN(C)C)cc3)c4ccccc4)c1;CCNC(=O)C#Cc1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN(C)C","InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-","","2015-12-02","2016-08-12","3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide","2016-08-17"],["HB6","2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]-[4-(2-diethoxyphosphorylethanoylamino)phenyl]sulfonyl-amino]ethanamide","C33 H38 N5 O11 P S2","CCO[P](=O)(CC(=O)Nc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24)OCC;CCOP(=O)(CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC)OCC","InChI=1S/C33H38N5O11PS2/c1-4-48-50(42,49-5-2)22-33(41)36-23-10-14-25(15-11-23)51(43,44)37(20-31(34)39)29-18-19-30(28-9-7-6-8-27(28)29)38(21-32(35)40)52(45,46)26-16-12-24(47-3)13-17-26/h6-19H,4-5,20-22H2,1-3H3,(H2,34,39)(H2,35,40)(H,36,41)","","2022-05-25","2023-04-28","2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]-[4-(2-diethoxyphosphorylethanoylamino)phenyl]sulfonyl-amino]ethanamide","2023-05-03"],["5U6","4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one","C20 H23 N3 O3","COc1cc(c(OC)cc1CN(C)C)C2=CN(C)C(=O)c3cnccc23;CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC","InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3","","2015-12-02","2016-03-04","4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one","2016-03-09"],["5U7","5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide","C23 H28 N2 O8","CNC(=O)c1cc(cc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(C)c2)C(=O)NC;Cc1cc(ccc1OC2C(C(C(C(O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC","InChI=1S/C23H28N2O8/c1-11-6-12(13-7-14(21(30)24-2)9-15(8-13)22(31)25-3)4-5-16(11)32-23-20(29)19(28)18(27)17(10-26)33-23/h4-9,17-20,23,26-29H,10H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+,20+,23+/m1/s1","","2015-12-02","2016-04-29","5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide","2016-05-04"],["HB7","N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide","C26 H28 N4 O4","c1c(ccc(c1)N(C)C)C(=O)N(Cc2ccc(C(NO)=O)cc2)CC(=O)NCc3ccccc3;CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3)C(=O)NO;CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3","InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)","","2018-06-25","2018-08-24","N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide","2018-08-29"],["HB8","[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide","C13 H17 B N O5 S","CC(C)(C)OC(=O)Nc1cccc2cc(sc12)[B-](O)(O)O;[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O","InChI=1S/C13H17BNO5S/c1-13(2,3)20-12(16)15-9-6-4-5-8-7-10(14(17,18)19)21-11(8)9/h4-7,17-19H,1-3H3,(H,15,16)/q-1","","2018-12-04","2019-04-19","[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide","2019-04-24"],["5U8","8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C20 H19 F N6 O","CN(CCc1cnn(c1)c2nccc3C(=O)NC=Nc23)Cc4ccc(F)cc4;CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F","InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)","","2015-12-02","2016-01-15","8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["5U9","~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide","C9 H12 N3 O2 S","CC(=O)c1csc(NC(=O)C2C[NH2+]C2)n1;CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2","InChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9(11-7)12-8(14)6-2-10-3-6/h4,6,10H,2-3H2,1H3,(H,11,12,14)/p+1","","2015-12-02","2016-12-09","~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide","2016-12-14"],["HB9","~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide","C29 H23 F2 N3 O4 S","OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5sccc5)c(F)cc4F)ccc3C(=O)c2c1;c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO","InChI=1S/C29H23F2N3O4S/c30-22-14-23(31)25(34-29(38)26-2-1-11-39-26)15-24(22)33-19-7-8-20-17(12-19)5-3-16-4-6-18(13-21(16)27(20)36)28(37)32-9-10-35/h1-2,4,6-8,11-15,33,35H,3,5,9-10H2,(H,32,37)(H,34,38)","","2017-01-11","2017-09-01","~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide","2017-09-06"],["5UA","5'-O-CARBOXY-2'-DEOXYADENOSINE","C11 H13 N5 O5","O=C(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](COC(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COC(=O)O)O)N","InChI=1S/C11H13N5O5/c12-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(21-7)2-20-11(18)19/h3-7,17H,1-2H2,(H,18,19)(H2,12,13,14)/t5-,6+,7+/m0/s1","","2010-04-25","2011-06-04","5'-O-carboxy-2'-deoxyadenosine",""],["HBA","P-HYDROXYBENZALDEHYDE","C7 H6 O2","O=Cc1ccc(O)cc1;Oc1ccc(C=O)cc1;c1cc(ccc1C=O)O","InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H","","1999-07-08","2025-04-30","4-hydroxybenzaldehyde",""],["HBB","N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE","C30 H43 N3 O6 S","O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)C(C)C;CC(C)CCN(C[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH](C(C)C)C(=O)N1)cc2)[S](=O)(=O)c3ccccc3;CC(C)CCN(CC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3","InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1","N-[2-HYDROXY-2-(8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-ETHYL]-N-(3-METHYL-BUTYL)-BENZENESULFONAMIDE; INHIBITOR 3","2005-03-07","2020-05-27","N-{(2R)-2-hydroxy-2-[(8S,11S)-8-(1-methylethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide",""],["5UB","8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C10 H6 N4 O S","O=C1NC=Nc2c1ccnc2c3cscn3;c1cnc(c2c1C(=O)NC=N2)c3cscn3","InChI=1S/C10H6N4OS/c15-10-6-1-2-11-9(7-3-16-5-14-7)8(6)12-4-13-10/h1-5H,(H,12,13,15)","","2015-12-02","2016-01-15","8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["HBC","(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE","C20 H21 N O","O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3;N[C]1([CH]2CC[CH](C2)[CH]1c3ccccc3)C(=O)c4ccccc4;c1ccc(cc1)C2C3CCC(C3)C2(C(=O)c4ccccc4)N","InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1","BICYCLO[2.2.1]HEPTANE","2001-08-06","2020-06-17","[(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone",""],["5UC","5-chloropyrimidine-2,4(1H,3H)-dione","C4 H3 Cl N2 O2","ClC1=CNC(=O)NC1=O;ClC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)Cl","InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)","","2014-10-28","2015-07-10","5-chloropyrimidine-2,4(1H,3H)-dione","2015-07-15"],["5UD","5-FLUOROURIDINE","C9 H11 F N2 O6","FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F","InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1","","2003-12-19","2011-06-04","5-fluorouridine",""],["HBD","4-HYDROXYBENZAMIDE","C7 H7 N O2","O=C(c1ccc(O)cc1)N;NC(=O)c1ccc(O)cc1;c1cc(ccc1C(=O)N)O","InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)","","1999-07-08","2011-06-04","4-hydroxybenzamide",""],["HBE","(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol","C7 H12 O5","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12;C(C1C(C(C(C2C1O2)O)O)O)O","InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1","","2018-12-03","2024-09-27","(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol","2019-10-09"],["5UE","[(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium","C8 H12 N3 O2 S","C[CH]([NH3+])C(=O)Nc1scc(n1)C(C)=O;CC(C(=O)Nc1nc(cs1)C(=O)C)[NH3+]","InChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/p+1/t4-/m1/s1","","2015-12-02","2016-12-09","[(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium","2016-12-14"],["HBF","ferrocene homobiotin derivative","C21 H17 Fe N2 O S","[Fe].O=C1N[CH]2CS[CH](CCCCC=CC3C=CC=C3)[CH]2N1.[C-]4C=CC=C4;C1C2C(C(S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2","InChI=1S/C16H17N2OS.C5.Fe/c19-16-17-13-11-20-14(15(13)18-16)10-4-2-1-3-7-12-8-5-6-9-12;1-2-4-5-3-1;/h3,7,13-15H,1-2,4,10-11H2,(H2,17,18,19);;/q;-1;/t13-,14-,15-;;/m0../s1","","2017-01-30","2018-02-09","","2018-02-14"],["5UF","(3~{S})-3-oxidanyldecanoic acid","C10 H20 O3","CCCCCCC[CH](O)CC(O)=O;CCCCCCCC(CC(=O)O)O","InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1","Myrmicacin; 3-hydroxydecanoic acid","2015-12-02","2020-05-26","(3~{S})-3-oxidanyldecanoic acid","2015-12-29"],["HBG","N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide","C25 H31 N3 O4","Cc1cc(cc(c1)C)C(=O)N(CC(=O)NC2CCCCC2)Cc3ccc(C(NO)=O)cc3;Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC2CCCCC2)Cc3ccc(cc3)C(=O)NO;Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C","InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)","","2018-06-25","2018-08-24","N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide","2018-08-29"],["5UG","[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate","C11 H24 N2 O10 P2 S","CC(C)(CO[P](O)(=O)O[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C11H24N2O10P2S/c1-11(2,7-22-25(20,21)23-24(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-26/h9,15,26H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H,20,21)(H2,17,18,19)/t9-/m1/s1","","2015-12-03","2016-07-08","[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate","2016-07-13"],["HBH","2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE","C29 H40 N4 O7 S","O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N;CC(C)CCN(C[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH](CC(N)=O)C(=O)N1)cc2)[S](=O)(=O)c3ccccc3;CC(C)CCN(CC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3","InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1","2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE; INHIBITOR 2","2005-03-08","2020-05-27","2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide",""],["5UH","2-(4-methoxy-3-phenyl-phenyl)ethanoic acid","C15 H14 O3","COc1ccc(CC(O)=O)cc1c2ccccc2;COc1ccc(cc1c2ccccc2)CC(=O)O","InChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)","","2015-12-03","2016-02-19","2-(4-methoxy-3-phenyl-phenyl)ethanoic acid","2016-02-24"],["HBI","7,8-DIHYDROBIOPTERIN","C9 H13 N5 O3","O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N;C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O;CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O","InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1","","1999-07-08","2011-06-04","2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one",""],["5UI","1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid","C19 H16 F3 N3 O3","CC(C)Oc1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F;CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F","InChI=1S/C19H16F3N3O3/c1-11(2)28-13-6-3-5-12(9-13)15-7-4-8-16(24-15)25-17(19(20,21)22)14(10-23-25)18(26)27/h3-11H,1-2H3,(H,26,27)","","2021-07-14","2021-11-12","1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid","2021-11-17"],["5UJ","8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C23 H22 Cl2 N6 O","Clc1cc(Cl)cc(c1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45;c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl","InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)","","2015-12-03","2016-01-15","8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["HBJ","4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide","C26 H28 N4 O4","C(c1ccc(cc1)CN(CC(Nc2ccc(C)cc2)=O)C(c3ccc(cc3)N(C)C)=O)(NO)=O;CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc2ccc(C)cc2)Cc3ccc(cc3)C(=O)NO;Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C","InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)","","2018-06-25","2018-08-24","4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide","2018-08-29"],["5UK","2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID ","C7 H9 N O6","OC(C(=N)C(C(O)=O)CC(CO)=O)=O;OCC(=O)C[CH](C(O)=O)C(=N)C(O)=O;C(C(C(=N)C(=O)O)C(=O)O)C(=O)CO","InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h4,8-9H,1-2H2,(H,11,12)(H,13,14)/b8-5+/t4-/m0/s1","","2015-12-03","2016-08-24","(2S,3E)-2-(3-hydroxy-2-oxopropyl)-3-iminobutanedioic acid","2016-08-31"],["HBK","(2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one","C9 H9 N O5","O=C1N(O)c2c(OC1O)cc(OC)cc2;COc1ccc2N(O)C(=O)[CH](O)Oc2c1;COc1ccc2c(c1)OC(C(=O)N2O)O","InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m0/s1","","2011-03-08","2011-06-04","(2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one",""],["5UL","8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C24 H25 Cl N6 O","Clc1ccc(CC2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45)cc1;c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl","InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)","","2015-12-03","2016-01-15","8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["HBL","7,8-DIHYDRO-L-BIOPTERIN","C9 H13 N5 O3","O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N;C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O;CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O","InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1/f/h11,14H,10H2","","2002-07-09","2008-10-14","2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one",""],["HBM","2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE","C23 H20 Cl2 N4 O4 S","O=S(=O)(Nc1ccc(cc1)CCNC(=O)c2ccc(O)c3nc(nc23)c4ccc(Cl)cc4Cl)C;C[S](=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)c4ccc(Cl)cc4Cl)cc1;CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O","InChI=1S/C23H20Cl2N4O4S/c1-34(32,33)29-15-5-2-13(3-6-15)10-11-26-23(31)17-8-9-19(30)21-20(17)27-22(28-21)16-7-4-14(24)12-18(16)25/h2-9,12,29-30H,10-11H2,1H3,(H,26,31)(H,27,28)","2-(2,4-DICHLOROPHENYL)-4-HYDROXY-N-(2-{4-[(METHYLSULFONYL)AMINO]PHENYL}ETHYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE","2006-12-14","2020-06-17","2-(2,4-dichlorophenyl)-4-hydroxy-N-(2-{4-[(methylsulfonyl)amino]phenyl}ethyl)-1H-benzimidazole-7-carboxamide",""],["5UM","N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide","C12 H11 F N2 O3 S2","O=C(Nc1ccc(cc1F)S(=O)(=O)N)Cc2sccc2;N[S](=O)(=O)c1ccc(NC(=O)Cc2sccc2)c(F)c1;c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N","InChI=1S/C12H11FN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)","","2011-03-11","2011-06-04","N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide",""],["HBN","N-(2-NAPHTHYL)HISTIDINAMIDE","C16 H16 N4 O","O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3;N[CH](Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2;c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N","InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1","L-HISTIDINE BETA NAPHTHYLAMIDE","2004-04-05","2021-03-01","N-naphthalen-2-yl-D-histidinamide",""],["5UN","N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide","C12 H12 N2 O3 S2","O=C(Nc1ccc(cc1)S(=O)(=O)N)Cc2sccc2;N[S](=O)(=O)c1ccc(NC(=O)Cc2sccc2)cc1;c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)","","2011-03-11","2011-06-04","N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide",""],["HBO","2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE","C9 H9 N O5","O=C1N(O)c2c(OC1O)cc(OC)cc2;COc1ccc2N(O)C(=O)[CH](O)Oc2c1;COc1ccc2c(c1)OC(C(=O)N2O)O","InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1","","2000-07-12","2011-06-04","(2R)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one",""],["5UO","8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C23 H23 Cl N6 O","Clc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45;c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl","InChI=1S/C23H23ClN6O/c24-19-3-1-17(2-4-19)18-7-11-29(12-8-18)10-6-16-13-28-30(14-16)22-21-20(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,18H,6-8,10-12H2,(H,26,27,31)","","2015-12-03","2016-01-15","8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["HBP","1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME","C19 H26 N4 O2","ON=Cc1[n+](cccc1)CCCCCCC[n+]2ccccc2C=NO;ON=Cc1cccc[n+]1CCCCCCC[n+]2ccccc2C=NO;c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO","InChI=1S/C19H24N4O2/c24-20-16-18-10-4-8-14-22(18)12-6-2-1-3-7-13-23-15-9-5-11-19(23)17-21-25/h4-5,8-11,14-17H,1-3,6-7,12-13H2/p+2","","2001-07-02","2011-06-04","1,1'-heptane-1,7-diylbis{2-[(E)-(hydroxyimino)methyl]pyridinium}",""],["5UP","2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide","C9 H8 N4 O S","NC(=O)c1ccnc(c1)c2csc(N)n2;c1cnc(cc1C(=O)N)c2csc(n2)N","InChI=1S/C9H8N4OS/c10-8(14)5-1-2-12-6(3-5)7-4-15-9(11)13-7/h1-4H,(H2,10,14)(H2,11,13)","","2015-12-03","2016-01-15","2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide","2016-01-20"],["5UQ","(3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione","C12 H22 N2 O5","C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O;CC(CCO)C1C(=O)NC(C(=O)N1)CC(C)(CO)O","InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1","","2021-08-24","2023-02-10","(3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione","2023-02-15"],["HBQ","ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE","C14 H17 F N2 O3","Fc1ccc2c(c1)N(C(=O)OC(C)C)C(C(=O)N2)CC;CC[CH]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O;CCC1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F","InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1","","2007-02-01","2011-06-04","1-methylethyl (2S)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate",""],["HBR","R,3-HYDROXYBUTAN-2-ONE","C4 H8 O2","O=C(C)C(O)C;C[CH](O)C(C)=O;CC(C(=O)C)O","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","","2003-04-21","2011-06-04","(3R)-3-hydroxybutan-2-one",""],["5UR","(1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate","C19 H13 Cl2 F3 N2 O2","FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccnc1)c1ccc(Cl)cc1Cl;FC(F)(F)c1cccc(c1)C(=O)O[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl;c1cc(cc(c1)C(F)(F)F)C(=O)OC(Cn2ccnc2)c3ccc(cc3Cl)Cl","InChI=1S/C19H13Cl2F3N2O2/c20-14-4-5-15(16(21)9-14)17(10-26-7-6-25-11-26)28-18(27)12-2-1-3-13(8-12)19(22,23)24/h1-9,11,17H,10H2/t17-/m1/s1","","2021-07-23","2022-07-22","(1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate","2022-07-27"],["HBS","S,3-HYDROXYBUTAN-2-ONE","C4 H8 O2","O=C(C)C(O)C;C[CH](O)C(C)=O;CC(C(=O)C)O","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1","","2003-04-21","2011-06-04","(3S)-3-hydroxybutan-2-one",""],["5US","3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide","C21 H25 N O7","CNC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(C)c2;Cc1cc(ccc1OC2C(C(C(C(O2)CO)O)O)O)c3cccc(c3)C(=O)NC","InChI=1S/C21H25NO7/c1-11-8-13(12-4-3-5-14(9-12)20(27)22-2)6-7-15(11)28-21-19(26)18(25)17(24)16(10-23)29-21/h3-9,16-19,21,23-26H,10H2,1-2H3,(H,22,27)/t16-,17-,18+,19+,21+/m1/s1","","2015-12-03","2016-12-02","3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide","2016-12-07"],["5UT","1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one","C22 H29 Cl N4 O3","CC1(CC1)c2cc(NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C)c(O)cc2Cl;CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C","InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3","","2015-12-03","2024-09-27","1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one","2016-01-13"],["HBT","(6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C17 H17 N3 O4 S","[O-][N+](=O)c1ccccc1C(=O)Nc2sc3c(c2C(=O)N)CCC(C3)C;C[CH]1CCc2c(C1)sc(NC(=O)c3ccccc3[N+]([O-])=O)c2C(N)=O;CC1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1","InChI=1S/C17H17N3O4S/c1-9-6-7-11-13(8-9)25-17(14(11)15(18)21)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)/t9-/m0/s1","","2009-06-02","2011-06-04","(6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["HBU","4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID","C5 H9 O5 P","O=C(CC(=O)O)CP(=O)(O)C;C[P](O)(=O)CC(=O)CC(O)=O;CP(=O)(CC(=O)CC(=O)O)O","InChI=1S/C5H9O5P/c1-11(9,10)3-4(6)2-5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10)","","2001-01-23","2011-06-04","4-[(R)-hydroxy(methyl)phosphoryl]-3-oxobutanoic acid",""],["5UU","6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine","C19 H16 Cl F N2","Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1;c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F","InChI=1S/C19H16ClFN2/c20-12-5-10-16-18(11-12)23-17-4-2-1-3-15(17)19(16)22-14-8-6-13(21)7-9-14/h5-11H,1-4H2,(H,22,23)","","2015-12-03","2018-05-18","6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine","2018-05-23"],["HBV","3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide","C20 H27 F N2 O2","C(C13CC2CC(C1)CC(C2)C3)N(C)Cc4c(F)cc(C(=O)NO)cc4;CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(CC(C4)C2)C3;CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3","InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)/t13-,14+,15-,20-","Bavarostat","2018-06-25","2021-03-01","3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide","2018-08-29"],["5UV","7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine","C19 H15 Cl2 F N2","Fc1ccc(Nc2c3CCCCc3nc4ccc(Cl)cc24)cc1Cl;c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F","InChI=1S/C19H15Cl2FN2/c20-11-5-8-18-14(9-11)19(13-3-1-2-4-17(13)24-18)23-12-6-7-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)","","2015-12-03","2018-05-18","7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine","2018-05-23"],["HBW","(2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide","C26 H22 Cl2 F3 N5 O4 S","CNC(=O)[CH]1CCCN1[S](=O)(=O)c2ccc(Cl)c(COc3cccc4c(cc(nc34)C(F)(F)F)n5ccnc5)c2Cl;CNC(=O)C1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl","InChI=1S/C26H22Cl2F3N5O4S/c1-32-25(37)18-5-3-10-36(18)41(38,39)21-8-7-17(27)16(23(21)28)13-40-20-6-2-4-15-19(35-11-9-33-14-35)12-22(26(29,30)31)34-24(15)20/h2,4,6-9,11-12,14,18H,3,5,10,13H2,1H3,(H,32,37)/t18-/m0/s1","","2018-12-03","2019-05-24","(2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide","2019-05-29"],["5UW","~{N}-(3,3-diphenylpropyl)piperidin-4-amine","C20 H26 N2","C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3;c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3","InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2","","2015-12-03","2018-05-18","~{N}-(3,3-diphenylpropyl)piperidin-4-amine","2018-05-23"],["HBX","benzaldehyde","C7 H6 O","O=Cc1ccccc1;O=Cc1ccccc1;c1ccc(cc1)C=O","InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H","","2009-02-26","2024-09-27","benzaldehyde",""],["5UX","6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine","C19 H15 Cl2 F N2","Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl;c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F","InChI=1S/C19H15Cl2FN2/c20-11-5-7-14-18(9-11)24-17-4-2-1-3-13(17)19(14)23-12-6-8-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)","","2015-12-03","2018-05-18","6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine","2018-05-23"],["HBY","(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE","C15 H20 N2 O3 S2","S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC;COc1ccc2NC(=S)[CH](CSC)N(C(=O)OC(C)C)c2c1;CC(C)OC(=O)N1c2cc(ccc2NC(=S)C1CSC)OC","InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1","HBY 097","1999-07-08","2021-03-01","1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate",""],["5UY","methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate","C17 H19 N7 O3","COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[CH]3CNCCO3;COC(=O)c1cnc(cc1NCC2CNCCO2)Nc3cnc(cn3)C#N","InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)/t12-/m1/s1","","2015-12-04","2016-05-20","methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate","2016-05-25"],["HBZ","N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine","C14 H18 N2 O8","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(O)cc2;OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(O)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1","N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucosylamine;\nN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-glucosylamine","2008-02-12","2020-07-17","N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine",""],["5UZ","5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid","C28 H30 F N3 O3","CCC[CH]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5;CCCC1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5","InChI=1S/C28H30FN3O3/c1-2-7-20-9-3-4-15-31(20)27(33)23-12-6-11-22(25(23)29)19-8-5-10-21(16-19)32-26(18-13-14-18)24(17-30-32)28(34)35/h5-6,8,10-12,16-18,20H,2-4,7,9,13-15H2,1H3,(H,34,35)/t20-/m1/s1","","2021-07-14","2021-11-12","5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid","2021-11-17"],["HC0","2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER","C6 H7 Fe2 O7 S2","O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O)C=O;C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O","InChI=1S/5CHO.CO.2Fe.H2O.2S/c6*1-2;;;;;/h5*1H;;;;1H2;;","","1999-08-24","2023-09-23","3-$l^{3}-oxidanyl-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,1,3,3-pentacarbaldehyde",""],["5V0","2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid","C12 H12 N2 O3","OC(=O)c1ccnc(CNCc2occc2)c1;c1cc(oc1)CNCc2cc(ccn2)C(=O)O","InChI=1S/C12H12N2O3/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11/h1-6,13H,7-8H2,(H,15,16)","","2015-12-04","2015-12-11","2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid","2015-12-16"],["HC1","2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER","C5 H8 Fe2 O7 S2","O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O;C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]","InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2;;;;;;/h4*1H;;;;2*1H2;;","","1999-08-23","2023-09-23","1,3-bis($l^{3}-oxidanyl)-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,3,3-tetracarbaldehyde",""],["5V1","2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid","C14 H14 N2 O2","OC(=O)c1ccnc(CNCc2ccccc2)c1;c1ccc(cc1)CNCc2cc(ccn2)C(=O)O","InChI=1S/C14H14N2O2/c17-14(18)12-6-7-16-13(8-12)10-15-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,17,18)","","2015-12-04","2015-12-24","2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid","2015-12-29"],["5V2","N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide","C21 H20 F3 N3 O3 S2","CN1C=C(c2cccc(c2)C(F)(F)F)c3sc(cc3C1=O)C(=N)NC4CC[S](=O)(=O)CC4;CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F","InChI=1S/C21H20F3N3O3S2/c1-27-11-16(12-3-2-4-13(9-12)21(22,23)24)18-15(20(27)28)10-17(31-18)19(25)26-14-5-7-32(29,30)8-6-14/h2-4,9-11,14H,5-8H2,1H3,(H2,25,26)","","2015-04-03","2015-04-17","N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide","2015-04-22"],["HC2","20-HYDROXYCHOLESTEROL","C27 H46 O2","OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C;CC(C)CCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O","InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1","(3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL","2005-05-09","2020-06-17","(3beta,14beta,17alpha,20R)-cholest-5-ene-3,20-diol",""],["5V3","8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one","C15 H14 N4 O","O=C1N=CNc2c(CNCc3ccccc3)nccc12;c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3","InChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20)","","2015-12-04","2015-12-24","8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one","2015-12-29"],["HC3","25-HYDROXYCHOLESTEROL","C27 H46 O2","OC(C)(C)CCCC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1","(3BETA)-CHOLEST-5-ENE-3,25-DIOL","2005-05-10","2020-06-17","(3beta,14beta,17alpha)-cholest-5-ene-3,25-diol",""],["HC4","4'-HYDROXYCINNAMIC ACID","C9 H8 O3","Oc1ccc(/C=C/C(=O)O)cc1;OC(=O)C=Cc1ccc(O)cc1;c1cc(ccc1C=CC(=O)O)O","InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+","PARA-COUMARIC ACID","1999-07-08","2025-01-08","(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid",""],["5V4","(1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol","C9 H10 O2","O[CH]1Cc2ccccc2[CH]1O;c1ccc2c(c1)CC(C2O)O","InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1","","2015-12-04","2016-02-12","(1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol","2016-02-17"],["5V5","2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid","C13 H12 O3 S","COc1ccc(CC(O)=O)cc1c2sccc2;COc1ccc(cc1c2cccs2)CC(=O)O","InChI=1S/C13H12O3S/c1-16-11-5-4-9(8-13(14)15)7-10(11)12-3-2-6-17-12/h2-7H,8H2,1H3,(H,14,15)","","2015-12-07","2016-02-19","2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid","2016-02-24"],["HC5","(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM","C13 H26 N O4","O=C(O)CC(OC(=O)CCCCC)C[N+](C)(C)C;CCCCCC(=O)O[CH](CC(O)=O)C[N+](C)(C)C;CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C","InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1","HEXANOYLCARNITINE","2006-05-26","2021-03-01","(2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium",""],["HC6","(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)","C24 H34 N2 O4","OC1(OCC[N+](C)(C)C1)c2ccc(cc2)c3ccc(cc3)C4(O)OCC[N+](C)(C)C4;C[N+]1(C)CCO[C](O)(C1)c2ccc(cc2)c3ccc(cc3)[C]4(O)C[N+](C)(C)CCO4;C[N+]1(CCOC(C1)(c2ccc(cc2)c3ccc(cc3)C4(C[N+](CCO4)(C)C)O)O)C","InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2/t23-,24-/m1/s1","","2008-10-31","2011-06-04","(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)",""],["5V6","2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid","C13 H12 O3 S","COc1ccc(CC(O)=O)cc1c2cscc2;COc1ccc(cc1c2ccsc2)CC(=O)O","InChI=1S/C13H12O3S/c1-16-12-3-2-9(7-13(14)15)6-11(12)10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,14,15)","","2015-12-07","2016-02-19","2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid","2016-02-24"],["HC7","(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium","C24 H35 N2 O7 P","O=P(O)(O)OCC[N+](C)(C)CC(=O)c1ccc(cc1)c2ccc(cc2)C3(O)OCC[N+](C)(C)C3;C[N+](C)(CCO[P](O)(O)=O)CC(=O)c1ccc(cc1)c2ccc(cc2)[C]3(O)C[N+](C)(C)CCO3;C[N+]1(CCOC(C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C","InChI=1S/C24H33N2O7P/c1-25(2,14-16-33-34(29,30)31)17-23(27)21-7-5-19(6-8-21)20-9-11-22(12-10-20)24(28)18-26(3,4)13-15-32-24/h5-12,28H,13-18H2,1-4H3/p+2/t24-/m1/s1","2-{4-[4-(2-{dimethyl[2-(phosphonatooxy)ethyl]azaniumyl}acetyl)phenyl]phenyl}-2-hydroxy-4,4-dimethylmorpholin-4-ium","2008-12-04","2020-06-17","(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium",""],["5V7","8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one","C10 H7 N5 O S","Nc1scc(n1)c2nccc3C(=O)NC=Nc23;c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N","InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)","","2015-12-07","2016-01-15","8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one","2016-01-20"],["HC8","1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one","C16 H16 O5","O=C(C)Cc1cc2c(c(O)c1C(=O)C)c(O)cc(OC)c2;COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1;CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC","InChI=1S/C16H16O5/c1-8(17)4-10-5-11-6-12(21-3)7-13(19)15(11)16(20)14(10)9(2)18/h5-7,19-20H,4H2,1-3H3","","2008-05-19","2011-06-04","1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one",""],["5V8","2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide","C22 H24 N2 O4","CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)c4ccc(O)cc4;CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O","InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)","","2015-12-07","2017-06-30","2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide","2017-07-05"],["5V9","~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine","C17 H21 N S","C1CCC(CC1)NCc2ccc(cc2)c3cscc3;c1cc(ccc1CNC2CCCCC2)c3ccsc3","InChI=1S/C17H21NS/c1-2-4-17(5-3-1)18-12-14-6-8-15(9-7-14)16-10-11-19-13-16/h6-11,13,17-18H,1-5,12H2","","2015-12-07","2024-09-06","~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine","2024-09-11"],["HC9","(3alpha,8alpha,22R)-cholest-5-ene-3,22-diol","C27 H46 O2","CC(C)CC[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O","InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1","","2010-01-04","2011-06-04","(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",""],["5VA","~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine","C12 H13 N S","CNCc1cccc(c1)c2cscc2;CNCc1cccc(c1)c2ccsc2","InChI=1S/C12H13NS/c1-13-8-10-3-2-4-11(7-10)12-5-6-14-9-12/h2-7,9,13H,8H2,1H3","","2015-12-07","2023-02-03","~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine","2023-02-08"],["HCA","3-HYDROXY-3-CARBOXY-ADIPIC ACID","C7 H10 O7","O=C(O)CC(O)(C(=O)O)CCC(=O)O;OC(=O)CC[C](O)(CC(O)=O)C(O)=O;C(CC(CC(=O)O)(C(=O)O)O)C(=O)O","InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid",""],["HCB","5-HYDROXYBENZIMIDAZOLYLCOBAMIDE","C60 H84 Co N13 O15 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N3C1=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C]2(C)[C](C)(CC(N)=O)[CH]8CCC(N)=O)[Co]357)[C](C)(CC(N)=O)[CH]6CCC(N)=O)C(C)(C)[CH]4CCC(N)=O)O[P]([O-])(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)ccc%10%11;CC1=C2C(C(C3N2[Co]45[N+]6=C1C(C(C6=CC7=[N+]4C(=C(C8=[N+]5C3(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)([O-])OC9C(OC(C9O)n1cnc2c1ccc(c2)O)CO","InChI=1S/C60H86N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);/q;+4/p-2/t28-,32-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;/m1./s1","","2004-09-28","2011-06-04","",""],["5VB","1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one","C15 H13 N O S","O=C1CC=CN1Cc2cccc(c2)c3cscc3;c1cc(cc(c1)c2ccsc2)CN3C=CCC3=O","InChI=1S/C15H13NOS/c17-15-5-2-7-16(15)10-12-3-1-4-13(9-12)14-6-8-18-11-14/h1-4,6-9,11H,5,10H2","","2015-12-07","2023-02-03","1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one","2023-02-08"],["HCC","2',4,4'-TRIHYDROXYCHALCONE","C15 H12 O4","O=C(c1ccc(O)cc1O)C=Cc2ccc(O)cc2;Oc1ccc(cc1)C=CC(=O)c2ccc(O)cc2O;c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O","InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+","","2000-09-27","2011-06-04","(2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one",""],["5VC","4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid","C22 H21 Cl F N3 O3 S","OC(=O)[C]1(CC[CH](CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3;c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O","InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-","MK-5108","2015-12-08","2020-06-17","4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid","2016-01-20"],["HCD","(3alpha,8alpha)-cholest-5-ene-3,20-diol","C27 H46 O2","OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C;CC(C)CCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O","InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1","20S-hydroxycholesterol","2010-06-02","2021-03-01","(3alpha,8alpha)-cholest-5-ene-3,20-diol",""],["5VD","methyl (1~{R},2~{R},4~{S})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate","C21 H18 O9","COC(=O)[CH]1c2cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c2[CH](O)C[C]1(C)O;CC1(CC(c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)C1C(=O)OC)O)O","InChI=1S/C21H18O9/c1-21(29)6-11(24)12-7(16(21)20(28)30-2)5-8-13(18(12)26)19(27)15-10(23)4-3-9(22)14(15)17(8)25/h3-5,11,16,22-24,26,29H,6H2,1-2H3/t11-,16-,21+/m0/s1","","2015-12-09","2016-12-16","methyl (1~{R},2~{R},4~{S})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate","2016-12-21"],["HCE","{(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine","C16 H24 N6 O3 S","O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O;N[CH](CCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23)C(O)=O;c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCCC(C(=O)O)N","InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1","homocysteine-DADMe-Immucillin-A","2012-05-11","2021-03-01","{(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine","2013-05-01"],["5VE","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","C21 H24 Cl F N6 O2","CNCc1ccc2C[CH](CNC(N)=N)[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2c1;CNCc1ccc2c(c1)C(C(C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl","InChI=1S/C21H24ClFN6O2/c1-26-9-11-2-3-12-7-13(10-27-21(24)25)18(15(12)6-11)29-20(31)19(30)28-14-4-5-16(22)17(23)8-14/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27)/t13-,18-/m1/s1","","2015-12-09","2016-03-25","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","2016-03-30"],["5VF","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","C22 H26 Cl F N8 O2","CN(Cc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)Cc2c1)C(N)=N;CN(Cc1ccc2c(c1)CC(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=N)N","InChI=1S/C22H26ClFN8O2/c1-32(22(27)28)10-11-2-4-15-12(6-11)7-13(9-29-21(25)26)18(15)31-20(34)19(33)30-14-3-5-16(23)17(24)8-14/h2-6,8,13,18H,7,9-10H2,1H3,(H3,27,28)(H,30,33)(H,31,34)(H4,25,26,29)/t13-,18-/m1/s1","","2015-12-09","2016-03-25","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","2016-03-30"],["HCG","DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE","C11 H19 N3 O6 S","O=C(NCC(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS;N[CH](CCCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NCC(=O)O","InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1","","2004-06-01","2011-06-04","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinylglycine",""],["5VG","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","C21 H24 Cl F N6 O2","CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)Cc2c1;CNCc1ccc2c(c1)CC(C2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N","InChI=1S/C21H24ClFN6O2/c1-26-9-11-2-4-15-12(6-11)7-13(10-27-21(24)25)18(15)29-20(31)19(30)28-14-3-5-16(22)17(23)8-14/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27)/t13-,18-/m1/s1","","2015-12-09","2016-03-25","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","2016-03-30"],["HCH","(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide","C9 H8 B O5 S","OC(=O)c1cccc2cc(sc12)[B-](O)(O)O;[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O","InChI=1S/C9H8BO5S/c11-9(12)6-3-1-2-5-4-7(10(13,14)15)16-8(5)6/h1-4,13-15H,(H,11,12)/q-1","","2018-12-03","2019-04-19","(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide","2019-04-24"],["HCI","HYDROCINNAMIC ACID","C9 H10 O2","O=C(O)CCc1ccccc1;OC(=O)CCc1ccccc1;c1ccc(cc1)CCC(=O)O","InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)","3PP; 3-PHENYLPROPIONIC ACID","1999-07-08","2024-09-27","3-phenylpropanoic acid",""],["5VH","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","C22 H26 Cl F N8 O2","CN(Cc1ccc2C[CH](CNC(N)=N)[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2c1)C(N)=N;CN(Cc1ccc2c(c1)C(C(C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)C(=N)N","InChI=1S/C22H26ClFN8O2/c1-32(22(27)28)10-11-2-3-12-7-13(9-29-21(25)26)18(15(12)6-11)31-20(34)19(33)30-14-4-5-16(23)17(24)8-14/h2-6,8,13,18H,7,9-10H2,1H3,(H3,27,28)(H,30,33)(H,31,34)(H4,25,26,29)/t13-,18-/m1/s1","","2015-12-09","2016-03-25","~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide","2016-03-30"],["HCJ","(2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one","C20 H15 F3 N2 O3","C2N1C=CC(N=C1OC2COc3ccc(cc3)c4cc(ccc4)C(F)(F)F)=O;FC(F)(F)c1cccc(c1)c2ccc(OC[CH]3CN4C=CC(=O)N=C4O3)cc2;c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OCC3CN4C=CC(=O)N=C4O3","InChI=1S/C20H15F3N2O3/c21-20(22,23)15-3-1-2-14(10-15)13-4-6-16(7-5-13)27-12-17-11-25-9-8-18(26)24-19(25)28-17/h1-10,17H,11-12H2/t17-/m0/s1","","2018-06-25","2018-08-24","(2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one","2018-08-29"],["5VI","(2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","C20 H36 N O10 P","CCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=C;CCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=C","InChI=1S/C20H36NO10P/c1-3-5-6-7-8-9-10-12-19(23)31-16(13-28-18(22)11-4-2)14-29-32(26,27)30-15-17(21)20(24)25/h3,16-17H,1,4-15,21H2,2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1","","2021-08-24","2021-09-17","(2~{S})-2-azanyl-3-[[(2~{S})-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","2021-09-22"],["HCK","4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid","C18 H14 N2 O4 S","COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc3)C(O)=O;COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O","InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)","","2015-11-17","2016-03-25","4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid","2016-03-30"],["5VJ","6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide","C12 H9 N O2 S","O=[S]1(=O)Nc2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2","InChI=1S/C12H9NO2S/c14-16(15)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8,13H","","2015-12-09","2016-04-22","6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide","2016-04-27"],["HCL","(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid","C8 H8 Cl N O4","N[CH](C(O)=O)c1cc(O)cc(O)c1Cl;c1c(cc(c(c1C(C(=O)O)N)Cl)O)O","InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1","","2012-03-05","2024-09-27","(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid",""],["5VK","ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate","C17 H18 O4","CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O;CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O","InChI=1S/C17H18O4/c1-2-21-17(20)10-8-12-7-9-14(16(19)11-12)13-5-3-4-6-15(13)18/h3-7,9,11,18-19H,2,8,10H2,1H3","","2015-12-09","2016-04-22","ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate","2016-04-27"],["HCM","(2S)-2-amino-4-(methyldisulfanyl)butanoic acid","C5 H11 N O2 S2","O=C(O)C(N)CCSSC;CSSCC[CH](N)C(O)=O;CSSCCC(C(=O)O)N","InChI=1S/C5H11NO2S2/c1-9-10-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","S-methylsulfanyl-homocystein","2012-12-18","2021-03-01","(2S)-2-amino-4-(methyldisulfanyl)butanoic acid","2013-12-18"],["5VL","2-(2-hydroxyphenyl)phenol","C12 H10 O2","Oc1ccccc1c2ccccc2O;c1ccc(c(c1)c2ccccc2O)O","InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H","","2015-12-09","2016-04-22","2-(2-hydroxyphenyl)phenol","2016-04-27"],["HCN","2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER","C7 H10 Fe2 N2 O5 S2","O.O=C[Fe]12(C#N)[SH]3COC[SH]1[Fe]3(C=O)(C#N)C2=O;C1OCS2[Fe]3(S1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N","InChI=1S/C2H6OS2.2CN.2CHO.CO.2Fe.H2O/c4-1-3-2-5;5*1-2;;;/h4-5H,1-2H2;;;2*1H;;;;1H2","","2008-03-31","2023-09-23","",""],["5VM","5-chloranyl-3~{H}-1,3-benzoxazole-2-thione","C7 H4 Cl N O S","Clc1ccc2OC(=S)Nc2c1;c1cc2c(cc1Cl)NC(=S)O2","InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)","","2015-12-09","2016-04-22","5-chloranyl-3~{H}-1,3-benzoxazole-2-thione","2016-04-27"],["HCO","2-ACETYL-PROTOPORPHYRIN IX","C34 H34 Fe N4 O5","O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)C(O)=C)C)C;CC1=C2C=C3[CH](C(O)=C)C(=C4C=C5N6C(=Cc7n8c(C=C([CH]1C=C)N2[Fe]68N34)c(C)c7CCC(O)=O)C(=C5C)CCC(O)=O)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O","InChI=1S/C34H34N4O5.Fe/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26;/h7,12-15,21,34,39H,1,6,8-11H2,2-5H3,(H,40,41)(H,42,43);/q-4;+4/b24-12-,28-13-,29-15-,31-14-;/t21-,34-;/m1./s1","","2003-09-15","2024-09-27","{3,3'-[(7R,12S)-7-ethenyl-12-(1-hydroxyethenyl)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",""],["5VN","Caulophyllogenin","C30 H48 O5","CC1(C)CC[C]2([CH](O)C[C]3(C)C(=CC[CH]4[C]5(C)CC[CH](O)[C](C)(CO)[CH]5CC[C]34C)[CH]2C1)C(O)=O;CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)O)C)C(=O)O)C","InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1","","2015-12-09","2016-06-24","(4~{a}~{R},5~{R},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},9~{R},10~{S},12~{a}~{R},14~{b}~{S})-9-(hydroxymethyl)-2,2,6~{a},6~{b},9,12~{a}-hexamethyl-5,10-bis(oxidanyl)-1,3,4,5,6,6~{a},7,8,8~{a},10,11,12,13,14~{b}-tetradecahydropicene-4~{a}-carboxylic acid","2016-06-29"],["HCP","1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]CYCLOPENTYLPHOSPHONIC ACID","C13 H20 N2 O8 P2","O=P(O)(O)C2(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CCCC2;Cc1ncc(CO[P](O)(O)=O)c(C=NC2(CCCC2)[P](O)(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O","InChI=1S/C13H20N2O8P2/c1-9-12(16)11(10(6-14-9)8-23-25(20,21)22)7-15-13(24(17,18)19)4-2-3-5-13/h6-7,16H,2-5,8H2,1H3,(H2,17,18,19)(H2,20,21,22)/b15-7+","","2002-07-09","2011-06-04","(1-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}cyclopentyl)phosphonic acid",""],["5VO","6-oxidanylidene-6-phenyl-hexanoic acid","C12 H14 O3","OC(=O)CCCCC(=O)c1ccccc1;c1ccc(cc1)C(=O)CCCCC(=O)O","InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)","5-Benzoylpentanoic Acid","2015-12-10","2021-03-01","6-oxidanylidene-6-phenyl-hexanoic acid","2015-12-23"],["5VP","4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol","C19 H14 Cl N3 O S","Oc1ccc(cc1)CNc1nc(Cl)nc2scc(c12)c1ccccc1;Oc1ccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)cc1;c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4ccc(cc4)O","InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-6-8-14(24)9-7-12)16-15(11-25-18(16)23-19)13-4-2-1-3-5-13/h1-9,11,24H,10H2,(H,21,22,23)","","2021-07-23","2022-06-17","4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol","2022-06-22"],["HCQ","[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide","C9 H11 B N O3 S","NCc1ccc2sc(cc2c1)[B-](O)(O)O;[B-](c1cc2cc(ccc2s1)CN)(O)(O)O","InChI=1S/C9H11BNO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5,11H2/q-1","","2018-12-03","2019-04-19","[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide","2019-04-24"],["5VQ","2-Propen-1-ol","C3 H6 O","OCC=C;C=CCO","InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2","allyl alcohol","2015-12-11","2021-03-01","prop-2-en-1-ol","2016-04-06"],["HCR","7-HYDROXYCHOLESTEROL","C27 H46 O2","OC3C=C4C(C2C3C1C(C(C(C)CCCC(C)C)CC1)(C)CC2)(CCC(O)C4)C;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C","InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1","(3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL","2005-05-09","2021-03-13","(3beta,7alpha,14beta,17alpha)-cholest-5-ene-3,7-diol",""],["HCS","2-AMINO-4-MERCAPTO-BUTYRIC ACID","C4 H9 N O2 S","O=C(O)C(N)CCS;N[CH](CCS)C(O)=O;C(CS)C(C(=O)O)N","InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1","L-Homocysteine","2001-08-14","2024-09-27","L-homocysteine",""],["5VR","[[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate","C9 H16 N4 O7 S","CC(=O)NNC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O;CC(=O)NNC(=O)C1CCC(CN1C=O)NOS(=O)(=O)O","InChI=1S/C9H16N4O7S/c1-6(15)10-11-9(16)8-3-2-7(4-13(8)5-14)12-20-21(17,18)19/h5,7-8,12H,2-4H2,1H3,(H,10,15)(H,11,16)(H,17,18,19)/t7-,8+/m1/s1","","2015-12-11","2024-09-27","[[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate","2016-01-20"],["5VS","2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one","C23 H21 N5 O2","CC1(C)NC(=O)c2ccc(cc2N1Cc3ccccc3)N4C(=O)Nc5ncccc45;CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C","InChI=1S/C23H21N5O2/c1-23(2)26-21(29)17-11-10-16(28-18-9-6-12-24-20(18)25-22(28)30)13-19(17)27(23)14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,26,29)(H,24,25,30)","","2015-12-11","2016-05-06","2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one","2016-05-11"],["HCT","(2R)-butane-1,2,4-tricarboxylic acid","C7 H10 O6","O=C(O)CCC(C(=O)O)CC(=O)O;OC(=O)CC[CH](CC(O)=O)C(O)=O;C(CC(=O)O)C(CC(=O)O)C(=O)O","InChI=1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t4-/m1/s1","","2008-07-11","2011-06-04","(2R)-butane-1,2,4-tricarboxylic acid",""],["HCU","[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate","C10 H16 N5 O6 P","NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1;c1nc2c(n1CCC(CO)COP(=O)(O)O)NC(=NC2=O)N","InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1","Penciclovir phosphate","2020-12-17","2021-12-10","[(2~{R})-4-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate","2021-12-15"],["5VT","(2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide","C26 H29 N3 O3","COc1ccc(CCNC(=O)[CH]2CCCN2C(=O)NCc3cccc4ccccc34)cc1;COc1ccc(cc1)CCNC(=O)C2CCCN2C(=O)NCc3cccc4c3cccc4","InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1","","2015-12-12","2016-10-21","(2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide","2016-10-26"],["HCV","N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine","C15 H27 N3 O6 S","O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS;CC(C)[CH](NC(=O)[CH](CCS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC(C)C(C(=O)O)NC(=O)C(CCS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1","Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine","2013-01-24","2020-06-17","N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine","2013-02-01"],["5VU","N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide","C11 H12 F2 N2 O","O=C(Nc1ccc(F)cc1F)N2CCCC2;Fc1ccc(NC(=O)N2CCCC2)c(F)c1;c1cc(c(cc1F)F)NC(=O)N2CCCC2","InChI=1S/C11H12F2N2O/c12-8-3-4-10(9(13)7-8)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)","","2015-01-22","2015-05-01","N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide","2015-05-06"],["HCW","1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA","C23 H28 N10 O","O=C(Nc2ccc(C(=NNC1=NCCN1)C)cc2)Nc4ccc(/C(=N/NC3=NCCN3)C)cc4;CC(=NNC1=NCCN1)c2ccc(NC(=O)Nc3ccc(cc3)C(C)=NNC4=NCCN4)cc2;CC(=NNC1=NCCN1)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=NNC4=NCCN4)C","InChI=1S/C23H28N10O/c1-15(30-32-21-24-11-12-25-21)17-3-7-19(8-4-17)28-23(34)29-20-9-5-18(6-10-20)16(2)31-33-22-26-13-14-27-22/h3-10H,11-14H2,1-2H3,(H2,24,25,32)(H2,26,27,33)(H2,28,29,34)/b30-15+,31-16+","","2011-03-16","2011-11-11","1,3-bis{4-[(1E)-N-(4,5-dihydro-1H-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea",""],["5VV","N-carbamoyl-L-Asparagine","C5 H8 N2 O5","NC(=O)C[CH](NC(O)=O)C(O)=O;C(C(C(=O)O)NC(=O)O)C(=O)N","InChI=1S/C5H8N2O5/c6-3(8)1-2(4(9)10)7-5(11)12/h2,7H,1H2,(H2,6,8)(H,9,10)(H,11,12)/t2-/m0/s1","","2015-12-14","2024-09-27","(2~{S})-4-azanyl-2-(carboxyamino)-4-oxidanylidene-butanoic acid","2016-05-18"],["5VW","[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate","C11 H20 N4 O7 S","O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2;C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOC2CCNC2","InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1","FPI-1465, bound form","2015-12-14","2024-09-27","[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate","2016-01-20"],["HCX","(SOUTH) BICYCLO[3.1.0]HEXANE","C7 H13 O4 P","O=P(OCC1C2CC2CC1O)O;O[CH]1C[CH]2C[CH]2[CH]1CO[PH](O)=O;C1C2C1C(C(C2)O)COP(=O)O","InChI=1S/C7H13O4P/c8-7-2-4-1-5(4)6(7)3-11-12(9)10/h4-8,12H,1-3H2,(H,9,10)/t4-,5-,6+,7+/m1/s1","","2004-03-15","2011-06-04","[(1R,2R,3S,5R)-3-hydroxybicyclo[3.1.0]hex-2-yl]methyl hydrogen (S)-phosphonate",""],["HCY","(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione","C21 H30 O5","O=C(CO)C3(O)C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C;C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)C[CH](O)[CH]23;CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O","InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1","CORTISOL","2007-10-13","2021-03-01","(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione",""],["5VX","1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid","C19 H15 F3 N4 O3","CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F;CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F","InChI=1S/C19H15F3N4O3/c1-25(2)17(27)12-6-3-5-11(9-12)14-7-4-8-15(24-14)26-16(19(20,21)22)13(10-23-26)18(28)29/h3-10H,1-2H3,(H,28,29)","","2021-07-14","2021-11-12","1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid","2021-11-17"],["HCZ","6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","C7 H8 Cl N3 O4 S2","O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N;N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl;c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2","InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)","","2009-08-06","2011-06-04","6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",""],["5VY","2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide","C26 H35 N7 O2 S","CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2;Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C","InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-23(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-22(17-21)31-36(34,35)26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)","","2015-12-14","2017-03-31","2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide","2017-04-05"],["5VZ","~{N}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide","C26 H34 Cl N7 O2 S","CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C","InChI=1S/C26H34ClN7O2S/c1-18-17-28-25(30-19-6-9-21(10-7-19)34-14-12-33(5)13-15-34)31-24(18)29-20-8-11-22(27)23(16-20)32-37(35,36)26(2,3)4/h6-11,16-17,32H,12-15H2,1-5H3,(H2,28,29,30,31)","","2015-12-14","2017-02-03","~{N}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide","2017-02-08"],["HD0","(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid","C10 H12 N4 O4","O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2;N[CH]1CC(=O)N([CH](Cc2[nH]cnc2)C(O)=O)C1=O;c1c([nH]cn1)CC(C(=O)O)N2C(=O)CC(C2=O)N","InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1","","2010-11-01","2024-09-27","(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid","2022-06-29"],["HD1","6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide","C24 H36 N4 O2 S","O=C(NC3C2CC1CC3CC(O)(C1)C2)c4ccc(nc4SCCC)N5CCN(C)CC5;CCCSc1nc(ccc1C(=O)NC2[CH]3CC4C[CH]2CC(O)(C4)C3)N5CCN(C)CC5;CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3C4CC5CC3CC(C5)(C4)O","InChI=1S/C24H36N4O2S/c1-3-10-31-23-19(4-5-20(25-23)28-8-6-27(2)7-9-28)22(29)26-21-17-11-16-12-18(21)15-24(30,13-16)14-17/h4-5,16-18,21,30H,3,6-15H2,1-2H3,(H,26,29)/t16-,17-,18+,21-,24-","","2012-09-20","2014-09-05","N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-6-(4-methylpiperazin-1-yl)-2-(propylsulfanyl)pyridine-3-carboxamide","2012-11-23"],["5W0","~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide","C26 H34 F N7 O2 S","CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F;Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C","InChI=1S/C26H34FN7O2S/c1-18-17-28-25(30-20-9-10-23(22(27)16-20)34-13-11-33(5)12-14-34)31-24(18)29-19-7-6-8-21(15-19)32-37(35,36)26(2,3)4/h6-10,15-17,32H,11-14H2,1-5H3,(H2,28,29,30,31)","","2015-12-14","2017-02-03","~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide","2017-02-08"],["5W1","~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide","C26 H33 Cl F N7 O2 S","CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C","InChI=1S/C26H33ClFN7O2S/c1-17-16-29-25(31-18-7-9-23(21(28)14-18)35-12-10-34(5)11-13-35)32-24(17)30-19-6-8-20(27)22(15-19)33-38(36,37)26(2,3)4/h6-9,14-16,33H,10-13H2,1-5H3,(H2,29,30,31,32)","","2015-12-14","2017-02-03","~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide","2017-02-08"],["HD2","4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide","C24 H34 N4 O3","O=C(NC3C2CC1CC3CC(O)(C1)C2)c4cnc(nc4C5CCCC5)NC6CCOC6;OC12CC3C[CH](C1)C(NC(=O)c4cnc(N[CH]5CCOC5)nc4C6CCCC6)[CH](C3)C2;c1c(c(nc(n1)NC2CCOC2)C3CCCC3)C(=O)NC4C5CC6CC4CC(C6)(C5)O","InChI=1S/C24H34N4O3/c29-22(27-20-16-7-14-8-17(20)11-24(30,9-14)10-16)19-12-25-23(26-18-5-6-31-13-18)28-21(19)15-3-1-2-4-15/h12,14-18,20,30H,1-11,13H2,(H,27,29)(H,25,26,28)/t14-,16-,17+,18-,20-,24-/m0/s1","","2012-09-20","2014-09-05","4-cyclopentyl-N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-2-[(3S)-tetrahydrofuran-3-ylamino]pyrimidine-5-carboxamide","2012-11-23"],["5W2","4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide","C28 H35 Cl F N7 O3 S","CN1CCC(CC1)NC(=O)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F;Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C","InChI=1S/C28H35ClFN7O3S/c1-17-16-31-27(34-19-6-8-21(23(30)14-19)26(38)33-18-10-12-37(5)13-11-18)35-25(17)32-20-7-9-22(29)24(15-20)36-41(39,40)28(2,3)4/h6-9,14-16,18,36H,10-13H2,1-5H3,(H,33,38)(H2,31,32,34,35)","","2015-12-14","2017-02-03","4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide","2017-02-08"],["HD3","2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one","C11 H14 N4 O5","NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O;c1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O","InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1","","2020-12-18","2022-01-28","2-azanyl-7-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-pyrrolo[2,3-d]pyrimidin-4-one","2022-02-02"],["5W3","~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy\nl]ethanamide","C20 H25 Cl N6 O5 S","COc1ccc(cc1[S](=O)(=O)NCCO)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C;Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC","InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29)","MI364","2015-12-14","2020-06-17","~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","2016-12-28"],["HD4","4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol","C13 H26 N O13 P","C1(OC(CO)C(O)C(COP(O)(O)=O)O)C(NC(C)=O)C(C(C(O1)CO)O)O;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO)[CH](O)[CH](O)CO[P](O)(O)=O;CC(=O)NC1C(C(C(OC1OC(CO)C(C(COP(=O)(O)O)O)O)CO)O)O","InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)8(3-16)27-13(9)26-7(2-15)10(19)6(18)4-25-28(22,23)24/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13+/m0/s1","4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol;\n4-O-[2-acetamido-2-deoxy-beta-D-glucosyl]-1-O-phosphono-D-ribitol;\n4-O-[2-acetamido-2-deoxy-D-glucosyl]-1-O-phosphono-D-ribitol; 4-O-[2-acetamido-2-deoxy-glucosyl]-1-O-phosphono-D-ribitol","2018-06-26","2020-07-17","4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol","2018-08-29"],["5W4","(3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one","C20 H18 N2 O2","CN1[CH](c2ccccc2)c3cc(ccc3C1=O)c4c(C)onc4C;Cc1c(c(on1)C)c2ccc3c(c2)C(N(C3=O)C)c4ccccc4","InChI=1S/C20H18N2O2/c1-12-18(13(2)24-21-12)15-9-10-16-17(11-15)19(22(3)20(16)23)14-7-5-4-6-8-14/h4-11,19H,1-3H3/t19-/m0/s1","","2015-12-15","2015-12-24","(3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one","2015-12-29"],["HD5","[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid","C9 H10 B N O2 S","NCc1ccc2sc(cc2c1)B(O)O;B(c1cc2cc(ccc2s1)CN)(O)O","InChI=1S/C9H10BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H,5,11H2","","2018-12-03","2024-09-27","[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid","2019-04-24"],["HD6","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","C37 H68 N7 O16 P3 S","CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C37H68N7O16P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-64-22-20-39-28(45)18-19-40-35(48)32(47)37(2,3)24-57-63(54,55)60-62(52,53)56-23-27-31(59-61(49,50)51)30(46)36(58-27)44-26-43-29-33(38)41-25-42-34(29)44/h25-27,30-32,36,46-47H,4-24H2,1-3H3,(H,39,45)(H,40,48)(H,52,53)(H,54,55)(H2,38,41,42)(H2,49,50,51)/t27-,30-,31-,32-,36-/m1/s1","","2015-12-03","2016-03-04","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate","2016-03-09"],["5W5","methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate","C22 H22 F3 N3 O5","COC(=O)c1ccccc1CNC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3;COC(=O)c1ccccc1CNC(=O)N2CCCC2C(=O)Nc3cccc(c3)OC(F)(F)F","InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1","","2015-12-15","2016-10-21","methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate","2016-10-26"],["HD9","(2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","C11 H15 N5 O5","COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O;COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O","InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1","","2020-12-18","2022-01-28","(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","2022-02-02"],["5W6","~{N}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","C24 H31 Cl N6 O5 S","COc1ccc(cc1[S](=O)(=O)N2CCC(CO)CC2)c3n4nc(Cl)cc(NCCNC(C)=O)c4nc3C;Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC","InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33)","","2015-12-15","2016-12-22","~{N}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","2016-12-28"],["HDA","HADACIDIN","C3 H5 N O4","O=C(O)CN(O)C=O;ON(CC(O)=O)C=O;C(C(=O)O)N(C=O)O","InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)","","1999-07-08","2011-06-04","N-formyl-N-hydroxyglycine",""],["5W7","~{N}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","C24 H32 Cl N7 O4 S","COc1ccc(cc1[S](=O)(=O)N[CH]2CC[CH](N)CC2)c3n4nc(Cl)cc(NCCNC(C)=O)c4nc3C;Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC","InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33)/t17-,18-","","2015-12-15","2016-12-22","~{N}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","2016-12-28"],["HDB","(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE","C11 H16 B N3 O3","OCC1OB(OC1)c2ccc(cc2)CNC(=[N@H])N;NC(=N)NCc1ccc(cc1)B2OC[CH](CO)O2;[H]N=C(N)NCc1ccc(cc1)B2OCC(O2)CO","InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1","","2005-06-02","2024-09-27","1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]benzyl}guanidine",""],["5W8","~{N}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{R})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","C22 H29 Cl N6 O5 S","CC[CH](CO)N[S](=O)(=O)c1cc(ccc1OC)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C;CCC(CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C","InChI=1S/C22H29ClN6O5S/c1-5-16(12-30)28-35(32,33)19-10-15(6-7-18(19)34-4)21-13(2)26-22-17(11-20(23)27-29(21)22)25-9-8-24-14(3)31/h6-7,10-11,16,25,28,30H,5,8-9,12H2,1-4H3,(H,24,31)/t16-/m1/s1","","2015-12-15","2016-12-22","~{N}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{R})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","2016-12-28"],["5W9","~{N}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","C22 H27 Cl N6 O5 S","COc1ccc(cc1[S](=O)(=O)N2CCOCC2)c3n4nc(Cl)cc(NCCNC(C)=O)c4nc3C;Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC","InChI=1S/C22H27ClN6O5S/c1-14-21(29-22(26-14)17(13-20(23)27-29)25-7-6-24-15(2)30)16-4-5-18(33-3)19(12-16)35(31,32)28-8-10-34-11-9-28/h4-5,12-13,25H,6-11H2,1-3H3,(H,24,30)","","2015-12-15","2016-12-22","~{N}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide","2016-12-28"],["HDC","3R-HYDROXYDECANOYL-COENZYME A","C31 H54 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC;CCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O","InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1","3R-HYDROXYDECANOYL-COA","2003-06-17","2021-03-01","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name)",""],["HDD","CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE","C34 H32 Fe N4 O5","O=C(O)CCc1c(c2C=C7C(=C(C=C)C6=Cc5c(c(C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C;Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[Fe]468)C(=C7C=C)C)c(C)c5C=C)[C](C)(O)[C]39CCC(=O)O9;Cc1c2n3c(c1CCC(=O)O)C=C4C5(CCC(=O)O5)C(C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O","InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H,39,40);/q-4;+4/b23-13-,26-14-,29-15-,30-16-;/t33-,34+;/m0./s1","HEME","2000-08-22","2020-06-17","{3-[(2R,5'S)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,14,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron",""],["5WA","(1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol","C17 H20 N4 O4","C(#CC(O)c1cc(OC)c(OC)c(OC)c1)c2c(nc(nc2C)N)N;COc1cc(cc(OC)c1OC)[CH](O)C#Cc2c(C)nc(N)nc2N;Cc1c(c(nc(n1)N)N)C#CC(c2cc(c(c(c2)OC)OC)OC)O","InChI=1S/C17H20N4O4/c1-9-11(16(18)21-17(19)20-9)5-6-12(22)10-7-13(23-2)15(25-4)14(8-10)24-3/h7-8,12,22H,1-4H3,(H4,18,19,20,21)/t12-/m0/s1","(R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine","2009-09-22","2021-03-13","(1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol",""],["5WB","5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","C18 H22 N4 O4","C(#CC(OC)c1cc(OC)c(OC)c(OC)c1)c2c(nc(nc2C)N)N;CO[CH](C#Cc1c(C)nc(N)nc1N)c2cc(OC)c(OC)c(OC)c2;Cc1c(c(nc(n1)N)N)C#CC(c2cc(c(c(c2)OC)OC)OC)OC","InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22)/t13-/m1/s1","(S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine","2009-09-22","2020-06-17","5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",""],["HDE","CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S","C34 H38 Fe N4 O5","O=C(O)CCc9c(c4n6c9C=C8N5C(=Cc1c(c(c3n1[Fe]56n2c(c(c(c2C3)C)CC)C4)CC)C)C(O)(C)C87OC(=O)CC7)C;CCc1c(C)c2Cc3n4c(C=C5[N]6C(=Cc7n8c(Cc1n2[Fe]468)c(C)c7CCC(O)=O)[C]9(CCC(=O)O9)[C]5(C)O)c(C)c3CC;CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)C9(C8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C","InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,42)34(12-11-32(41)43-34)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23;/h15-16,42H,7-14H2,1-6H3,(H,39,40);/q-4;+4/b29-15-,30-16-;/t33-,34+;/m0./s1","","2010-10-20","2024-09-27","{3-[(2R,5'S)-10',15'-diethyl-5'-hydroxy-5',9',14',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,13,15,18]octaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron",""],["5WC","1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide","C23 H22 Cl F N6 O3","C[CH](NC(=O)[CH]1C[CH]2C[CH]2N1C(=O)Cn3nc(C(N)=O)c4ccncc34)c5cccc(Cl)c5F;CC(c1cccc(c1F)Cl)NC(=O)C2CC3CC3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N","InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1","","2015-12-15","2016-10-21","1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide","2016-10-26"],["HDF","8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE","C16 H17 N3 O7","O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13;c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O","InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13+/m1/s1","","1999-07-08","2011-06-04","5-deoxy-5-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-xylitol",""],["HDG","(2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name)","C32 H42 N8 O5","C(CNCc1ccccc1)(CC2C(O)C(C(O2)n3cnc4c3ncnc4N)O)CCC(C(=O)NCCc5ccc(OC)cc5)N;COc1ccc(CCNC(=O)[CH](N)CC[CH](CNCc2ccccc2)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc1;COc1ccc(cc1)CCNC(=O)C(CCC(CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N","InChI=1S/C32H42N8O5/c1-44-23-10-7-20(8-11-23)13-14-36-31(43)24(33)12-9-22(17-35-16-21-5-3-2-4-6-21)15-25-27(41)28(42)32(45-25)40-19-39-26-29(34)37-18-38-30(26)40/h2-8,10-11,18-19,22,24-25,27-28,32,35,41-42H,9,12-17,33H2,1H3,(H,36,43)(H2,34,37,38)/t22-,24+,25+,27+,28+,32+/m0/s1","(R)-SKI-72","2018-06-26","2021-03-01","(2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name)","2018-07-25"],["5WD","3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid","C17 H14 N2 O4","NC(=O)c1[nH]c2ccc(OCc3cccc(c3)C(O)=O)cc2c1;c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N","InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)","","2015-12-15","2016-10-21","3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid","2016-10-26"],["HDH","4-oxidanylbenzohydrazide","C7 H8 N2 O2","NNC(=O)c1ccc(O)cc1;c1cc(ccc1C(=O)NN)O","InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)","4-hydroxybenzoic acid hydrazide","2016-11-18","2021-03-01","4-oxidanylbenzohydrazide","2017-02-01"],["5WE","4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide","C26 H30 N8 O2 S","CN(C)CCCC(=O)N1CCC[CH]1c2nc(c3ccc(cc3)C(=O)Nc4sccn4)c5n2ccnc5N;CN(C)CCCC(=O)N1CCCC1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5","InChI=1S/C26H30N8O2S/c1-32(2)13-4-6-20(35)33-14-3-5-19(33)24-30-21(22-23(27)28-11-15-34(22)24)17-7-9-18(10-8-17)25(36)31-26-29-12-16-37-26/h7-12,15-16,19H,3-6,13-14H2,1-2H3,(H2,27,28)(H,29,31,36)/t19-/m0/s1","","2015-12-15","2016-01-29","4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide","2016-02-03"],["HDI","3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER","C12 H13 N O4","O=C(OC)CC2ON=C(c1ccc(O)cc1)C2;COC(=O)C[CH]1CC(=NO1)c2ccc(O)cc2;COC(=O)CC1CC(=NO1)c2ccc(cc2)O","InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/m1/s1","","2002-04-25","2011-06-04","methyl [(5R)-3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl]acetate",""],["5WF","4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide","C29 H28 F3 N7 O3","CC1(COC1)C(=O)N2CCC[CH](C2)c3nc(c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N;CC1(COC1)C(=O)N2CCCC(C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F","InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1","","2015-12-15","2016-01-29","4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide","2016-02-03"],["HDJ","(2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile","C18 H15 F3 N2","c3c(F)c(c2ccc(C1C(CF)NC1C#N)cc2)c(cc3C)F;Cc1cc(F)c(c(F)c1)c2ccc(cc2)[CH]3[CH](CF)N[CH]3C#N;Cc1cc(c(c(c1)F)c2ccc(cc2)C3C(NC3C#N)CF)F","InChI=1S/C18H15F3N2/c1-10-6-13(20)17(14(21)7-10)11-2-4-12(5-3-11)18-15(8-19)23-16(18)9-22/h2-7,15-16,18,23H,8H2,1H3/t15-,16-,18+/m0/s1","","2018-06-27","2018-07-06","(2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile","2018-07-11"],["5WH","4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide","C29 H27 F4 N7 O2","C[CH]1CC[CH](CN1C(=O)C2CC2)c3nc(c4ccc(cc4F)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N;CC1CCC(CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F","InChI=1S/C29H27F4N7O2/c1-15-2-3-18(14-40(15)28(42)16-4-5-16)26-38-23(24-25(34)36-10-11-39(24)26)20-7-6-17(12-21(20)30)27(41)37-22-13-19(8-9-35-22)29(31,32)33/h6-13,15-16,18H,2-5,14H2,1H3,(H2,34,36)(H,35,37,41)/t15-,18+/m0/s1","","2015-12-15","2016-03-18","4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide","2016-03-23"],["HDL","D-arabinohydroxamic acid","C5 H9 N O7","O=C(NO)C(O)C(O)C(O)C(=O)O;ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(=O)NO)O)(C(C(=O)O)O)O","InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1","D-arabinohydroxamate","2009-05-26","2021-03-01","1-(hydroxyamino)-D-lyxuronic acid",""],["5WI","(3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione","C12 H20 N2 O4","CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO;CCC(C)C1C(=O)NC(=CC(C)(CO)O)C(=O)N1","InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1","","2021-08-24","2023-02-10","(3~{S},6~{Z})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione","2023-02-15"],["5WJ","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","C23 H26 N4 O5 S","COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)N4CCCCCC4;COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4","InChI=1S/C23H26N4O5S/c1-32-21-11-10-16(33(30,31)27-12-6-2-3-7-13-27)14-20(21)24-22(28)15-19-17-8-4-5-9-18(17)23(29)26-25-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)(H,26,29)","","2015-12-15","2016-06-17","~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide","2016-06-22"],["HDM","DIMETHYL PROPIONATE ESTER HEME","C36 H36 Fe N4 O4","O=C(OC)CCc4c(c2C=C8C(=C(C=C)C7=Cc6c(c(c5C=C1C(=C(C=3N1[Fe](n2c4C=3)(n56)N78)CCC(=O)OC)C)C=C)C)C)C;COC(=O)CCc1c(C)c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[Fe]468)C(=C7C)CCC(=O)OC)c(C=C)c5C)C(=C3C)C=C;Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC","InChI=1S/C36H36N4O4.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-4;+4/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-;","","2002-09-16","2011-06-04","[dimethyl 3,3'-(7,12-diethenyl-3,8,13,17-tetramethyl-22,24-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoatato(4-)]iron",""],["5WK","2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol","C11 H8 F4 N2 O","Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F;c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O","InChI=1S/C11H8F4N2O/c12-10(13)11(14,15)9-5-7(16-17-9)6-3-1-2-4-8(6)18/h1-5,10,18H,(H,16,17)","","2015-12-15","2016-02-26","2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol","2016-03-02"],["HDN","METHYLHYDRAZINE","C H4 N2","[N@H]=NC;CN=N;CN=N","InChI=1S/CH4N2/c1-3-2/h2H,1H3/b3-2-","","1999-08-23","2011-06-04","(Z)-methyldiazene",""],["5WL","6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide","C23 H21 Cl N2 O4 S","C[S](=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc3cccc4ccccc34;CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4","InChI=1S/C23H21ClN2O4S/c1-31(28,29)26-23(27)22-19(18-12-11-16(24)14-20(18)25-22)9-5-13-30-21-10-4-7-15-6-2-3-8-17(15)21/h2-4,6-8,10-12,14,25H,5,9,13H2,1H3,(H,26,27)","","2015-12-15","2016-02-26","6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide","2016-03-02"],["HDO","1-hydroxydodecan-4-one","C12 H24 O2","C(CCC(CCCCCCCC)=O)O;CCCCCCCCC(=O)CCCO;CCCCCCCCC(=O)CCCO","InChI=1S/C12H24O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h13H,2-11H2,1H3","","2017-09-05","2018-08-03","1-hydroxydodecan-4-one","2018-08-08"],["HDP","[(1S,6S)-6-HYDROXY-4-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE","C12 H17 N2 O7 P","O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(C=C2)COP(=O)(O)O)O","InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1","","2004-07-22","2010-03-30","[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["5WM","1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene","C9 H10 N2 O4 S2","N[S](=O)(=O)NCC1=C[S](=O)(=O)c2ccccc12;c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N","InChI=1S/C9H10N2O4S2/c10-17(14,15)11-5-7-6-16(12,13)9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,14,15)","","2015-12-16","2016-05-13","1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene","2016-05-18"],["HDQ","3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide","C14 H29 B N3 O5","N[C]1(CN(C[CH]2CCCCN2)C[CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1CN(CC1(C(=O)O)N)CC2CCCCN2)(O)(O)O","InChI=1S/C14H29BN3O5/c16-14(13(19)20)10-18(9-12-5-1-2-7-17-12)8-11(14)4-3-6-15(21,22)23/h11-12,17,21-23H,1-10,16H2,(H,19,20)/q-1/t11-,12-,14-/m0/s1","","2018-12-04","2019-08-23","3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide","2019-08-28"],["5WN","3-[(sulfamoylamino)methyl]-1-benzothiophene","C9 H10 N2 O2 S2","N[S](=O)(=O)NCc1csc2ccccc12;c1ccc2c(c1)c(cs2)CNS(=O)(=O)N","InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)","JNJ-26990990","2015-12-16","2020-06-17","3-[(sulfamoylamino)methyl]-1-benzothiophene","2016-05-18"],["HDR","HEXADECANE-1-SULFINIC ACID","C16 H34 O2 S","CCCCCCCCCCCCCCCCS(O)=O;CCCCCCCCCCCCCCCCS(=O)O","InChI=1S/C16H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17)18/h2-16H2,1H3,(H,17,18)","","2000-05-10","2018-11-02","hexadecane-1-sulfinic acid","2018-11-07"],["5WO","~{N}-(7~{H}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide","C22 H16 N6 O","O=C(Nc1ncnc2nc[nH]c12)c3cccc(c3)c4cccc(c4)n5cccc5;c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4","InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)17-7-3-5-15(11-17)16-6-4-8-18(12-16)28-9-1-2-10-28/h1-14H,(H2,23,24,25,26,27,29)","","2015-12-16","2018-09-24","~{N}-(7~{H}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide","2016-01-13"],["HDS","1-HEXADECANOSULFONIC ACID","C16 H34 O3 S","O=S(=O)(O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC[S](O)(=O)=O;CCCCCCCCCCCCCCCCS(=O)(=O)O","InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)","","1999-07-08","2024-09-27","hexadecane-1-sulfonic acid",""],["5WP","Rifampin-phosphate","C43 H69 N4 O14 P","CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)[CH](O[P](O)(O)=O)[CH](C)[CH](O)[CH](C)[CH](O[CH](C)O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4;CCOc1c(c(c2c3c1C(OC=CC(C(C(C(C(C(C(C(C=CCC(C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)OC(C)O)C)OC)O)O)C","InChI=1S/C43H69N4O14P/c1-11-58-41-28(7)37(50)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(38(33)51)45-42(52)24(3)14-12-13-23(2)39(61-62(54,55)56)26(5)36(49)27(6)40(60-29(8)48)25(4)32(57-10)15-20-59-43(53)34(31)41/h12-13,15,20-21,23-27,29,32,36,39-40,43-44,48-51,53H,11,14,16-19,22H2,1-10H3,(H,45,52)(H2,54,55,56)/b13-12+,20-15+/t23-,24+,25-,26-,27+,29+,32+,36-,39+,40-,43-/m1/s1","","2015-12-16","2015-12-24","","2015-12-29"],["HDT","4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE","C17 H14 N6 O2 S","O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34;N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1;c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N","InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)","","2003-06-24","2011-06-04","4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide",""],["5WQ","Rifampin","C43 H64 N4 O11","CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4;CCOc1c(c(c2c3c1C(OC=CC(C(C(C(C(C(C(=O)C(C=CCC(C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C","InChI=1S/C43H64N4O11/c1-11-56-41-28(7)38(51)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(39(33)52)45-42(53)24(3)14-12-13-23(2)36(49)26(5)37(50)27(6)40(58-29(8)48)25(4)32(55-10)15-20-57-43(54)34(31)41/h12-13,15,20-21,23-27,32,37,40,43-44,50-52,54H,11,14,16-19,22H2,1-10H3,(H,45,53)/b13-12+,20-15-/t23-,24+,25-,26+,27+,32-,37-,40-,43-/m1/s1","","2015-12-16","2015-12-24","","2015-12-29"],["5WR","(4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide","C28 H31 F3 N6 O","C[CH]1CN(Cc2cc(ccc12)C(=O)Nc3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)c5cncnc5;CC1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5","InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1","","2015-12-17","2016-06-03","(4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide","2016-06-08"],["HDU","N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE","C14 H13 N5 O","O=C(Nc1nccc(n1)c2c(nc3ccccn23)C)C;CC(=O)Nc1nccc(n1)c2n3ccccc3nc2C;Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C","InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)","","2003-06-24","2011-06-04","N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide",""],["HDV","9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me\nthyl-9H-purin-6-amine","C11 H17 F N5 O12 P3","O=P(OCC1OC(C(C1O)F)n3c2c(c(nc(n2)C)N)nc3)(O)OP(OP(O)(=O)O)(O)=O;Cc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3F)c2n1;Cc1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N","InChI=1S/C11H17FN5O12P3/c1-4-15-9(13)7-10(16-4)17(3-14-7)11-6(12)8(18)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,8,11,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t5-,6+,8-,11-/m1/s1","Clofarabine-TRIPHOSPHATE","2018-06-27","2020-06-17","9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine","2018-10-10"],["5WS","~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide","C12 H14 N2 O3 S","CN1C(=O)C=C(C)c2ccc(N[S](C)(=O)=O)cc12;CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C","InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-7,13H,1-3H3","","2015-12-17","2016-01-08","~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide","2016-01-13"],["5WT","~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide","C13 H14 N2 O2","CN1C(=O)C=C(C)c2ccc(NC(C)=O)cc12;CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C","InChI=1S/C13H14N2O2/c1-8-6-13(17)15(3)12-7-10(14-9(2)16)4-5-11(8)12/h4-7H,1-3H3,(H,14,16)","","2015-12-17","2016-01-08","~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide","2016-01-13"],["HDW","(2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid","C53 H93 N11 O20 S2","OCCSCC(=O)NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O)=O;C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)NC(CCC(=O)NC(CCC(=O)NCCOCCOCC(=O)NC(CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C53H93N11O20S2/c65-28-35-85-39-50(72)54-25-15-14-17-40(51(73)74)58-48(70)37-83-33-32-82-30-27-56-45(67)23-21-41(52(75)76)57-46(68)24-22-42(53(77)78)59-49(71)38-84-34-31-81-29-26-55-44(66)20-16-36-86(79,80)62-47(69)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-43-60-63-64-61-43/h40-42,65H,1-39H2,(H,54,72)(H,55,66)(H,56,67)(H,57,68)(H,58,70)(H,59,71)(H,62,69)(H,73,74)(H,75,76)(H,77,78)(H,60,61,63,64)/t40-,41+,42-/m0/s1","","2019-01-31","2020-02-14","(2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid","2020-02-05"],["HDX","({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid","C8 H13 N O9 P2","O=P(O)(O)OCCC=1C=CN(C(=O)C=1O)CP(=O)(O)O;OC1=C(CCO[P](O)(O)=O)C=CN(C[P](O)(O)=O)C1=O;C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O","InChI=1S/C8H13NO9P2/c10-7-6(2-4-18-20(15,16)17)1-3-9(8(7)11)5-19(12,13)14/h1,3,10H,2,4-5H2,(H2,12,13,14)(H2,15,16,17)","","2010-08-24","2011-06-04","({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid",""],["5WU","1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one","C10 H14 N2 O2","Cc1nn(CCO)c2CCCC(=O)c12;Cc1c2c(n(n1)CCO)CCCC2=O","InChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3","","2015-12-17","2016-01-08","1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one","2016-01-13"],["5WV","2-methyl-3~{H}-isoindol-1-one","C9 H9 N O","CN1Cc2ccccc2C1=O;CN1Cc2ccccc2C1=O","InChI=1S/C9H9NO/c1-10-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3","","2015-12-17","2016-01-08","2-methyl-3~{H}-isoindol-1-one","2016-01-13"],["HDY","1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL","C23 H26 N6 O2","OC(CN(C)C)COc1ccc(cc1)Nc2nccc(n2)c3c(nc4ccccn34)C;CN(C)C[CH](O)COc1ccc(Nc2nccc(n2)c3n4ccccc4nc3C)cc1;Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OCC(CN(C)C)O","InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1","","2003-06-24","2011-06-04","(2S)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol",""],["5WW","5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one","C16 H14 N2 O2","O=C2c3cccc(c3C=C(c1ccc(OC)cc1)N2)N;COc1ccc(cc1)C2=Cc3c(N)cccc3C(=O)N2;COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2","InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)","","2014-08-07","2015-07-24","5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one","2015-07-29"],["HDZ","NITROGEN MOLECULE","N2","N#N;N#N;N#N","InChI=1S/N2/c1-2","","1999-07-08","2024-09-27","nitrogen",""],["HE0","(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C17 H28 N4 O7 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC(C(=O)O)NC(=O)CN;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)CCCC[CH](NC(=O)CN)C(O)=O)C=O;CC1(C(NC(S1)C(C=O)NC(=O)CCCCC(C(=O)O)NC(=O)CN)C(=O)O)C","InChI=1S/C17H28N4O7S/c1-17(2)13(16(27)28)21-14(29-17)10(8-22)20-11(23)6-4-3-5-9(15(25)26)19-12(24)7-18/h8-10,13-14,21H,3-7,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H,27,28)/t9-,10+,13-,14+/m0/s1","Penicillin analog, bound/open form","2012-02-28","2024-09-27","(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["5WX","4-methoxy-1,2-benzoxazol-3-amine","C8 H8 N2 O2","COc1cccc2onc(N)c12;COc1cccc2c1c(no2)N","InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)","","2015-12-17","2016-01-08","4-methoxy-1,2-benzoxazol-3-amine","2016-01-13"],["5WY","2,3-dihydro-1,4-benzodioxine-5-carboxamide","C9 H9 N O3","NC(=O)c1cccc2OCCOc12;c1cc(c2c(c1)OCCO2)C(=O)N","InChI=1S/C9H9NO3/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H2,10,11)","","2015-12-17","2016-01-08","2,3-dihydro-1,4-benzodioxine-5-carboxamide","2016-01-13"],["HE1","4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID","C10 H13 O4 P S","O=P(O)(O)/C=C/CCSc1ccccc1O;Oc1ccccc1SCCC=C[P](O)(O)=O;c1ccc(c(c1)O)SCCC=CP(=O)(O)O","InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+","","1999-07-23","2011-06-04","{(1E)-4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid",""],["HE2","HEXAN-1-OL","C6 H14 O","OCCCCCC;CCCCCCO;CCCCCCO","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","","2005-05-16","2011-06-04","hexan-1-ol",""],["5WZ","(4-azanylpiperidin-1-yl)-cyclopropyl-methanone","C9 H16 N2 O","NC1CCN(CC1)C(=O)C2CC2;C1CC1C(=O)N2CCC(CC2)N","InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2","","2015-12-17","2016-01-08","(4-azanylpiperidin-1-yl)-cyclopropyl-methanone","2016-01-13"],["HE3","2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE","C14 H22 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCC=2SC3(Nc1nc(ncc1CN3C=2C)C)C(O)C;C[CH](O)[C]12Nc3nc(C)ncc3CN1C(=C(CCO[P](O)(=O)O[P](O)(O)=O)S2)C;Cc1ncc2c(n1)NC3(N(C2)C(=C(S3)CCOP(=O)(O)OP(=O)(O)O)C)C(C)O","InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)17-13-11(7-18(8)14)6-15-10(3)16-13/h6,9,19H,4-5,7H2,1-3H3,(H,23,24)(H,15,16,17)(H2,20,21,22)/t9-,14-/m0/s1","2-{(9AS)-9A-[(1S)-1-HYDROXYETHYL]-2,7-DIMETHYL-9A,10-DIHYDRO-5H-PYRIMIDO[4,5-D][1,3]THIAZOLO[3,2-A]PYRIMIDIN-8-YL}ETHYL TRIHYDROGEN DIPHOSPHATE","2003-04-10","2021-03-13","2-{(9aS)-9a-[(1S)-1-hydroxyethyl]-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl}ethyl trihydrogen diphosphate",""],["5X","5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE","C19 H18 N2 O3 S3","O=S(=O)(NN1C(=O)C(SC1=S)CC(=Cc2ccccc2)C)c3ccccc3;CC(C[CH]1SC(=S)N(N[S](=O)(=O)c2ccccc2)C1=O)=Cc3ccccc3;CC(=Cc1ccccc1)CC2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3","InChI=1S/C19H18N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+/t17-/m1/s1","","2005-09-22","2024-09-27","N-{(5R)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide",""],["HE4","HEPTAN-1-OL","C7 H16 O","OCCCCCCC;CCCCCCCO;CCCCCCCO","InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3","","2005-05-16","2024-09-27","heptan-1-ol",""],["5X0","~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide","C21 H24 N2 O5","CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC3CCOCC3;CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3","InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)","","2015-12-17","2016-01-08","~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide","2016-01-13"],["5X1","3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide","C28 H31 F3 N6 O","C[CH]1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c5cncnc5;CC1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5","InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-12-24(3-4-26(19)22)34-27(38)21-9-20(10-23(11-21)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m0/s1","","2015-12-17","2016-10-21","3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide","2016-10-26"],["HE5","ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER","C32 H34 N4 O4 Zn","COC(=O)CCc1c(C)c2C=C3C[CH](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC;Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C","InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h12-17H,7-11H2,1-6H3;/q-4;+4/b22-14-,25-13-,28-15-,30-16-;","ZND-DME","2006-10-10","2020-06-17","",""],["5X2","3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide","C26 H25 Cl N2 O4 S","Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N[S](=O)(=O)c4ccccc4)cc(C)c1Cl;Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4","InChI=1S/C26H25ClN2O4S/c1-17-15-19(16-18(2)24(17)27)33-14-8-12-22-21-11-6-7-13-23(21)28-25(22)26(30)29-34(31,32)20-9-4-3-5-10-20/h3-7,9-11,13,15-16,28H,8,12,14H2,1-2H3,(H,29,30)","","2015-12-17","2016-02-26","3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide","2016-03-02"],["HE6","6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN","C28 H24 Fe N4 O4","CC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(C(O)=O)C5=CC6=NC(=Cc4c(C)c3C)C(=C6C(O)=O)C)C;Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C","InChI=1S/C28H26N4O4.Fe/c1-11-13(3)19-8-21-15(5)25(27(33)34)23(31-21)10-24-26(28(35)36)16(6)22(32-24)9-20-14(4)12(2)18(30-20)7-17(11)29-19;/h7-10H,1-6H3,(H4,29,30,31,32,33,34,35,36);/q;+2/p-2/b17-7-,18-7-,19-8-,20-9-,21-8-,22-9-,23-10-,24-10-;","","1999-07-08","2023-09-23","",""],["HE7","4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid","C22 H28 O5","O=C(O)CCC(=O)OC4CCC3C2C(c1ccc(O)cc1CC2)CCC34C;C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2OC(=O)CCC(O)=O;CC12CCC3c4ccc(cc4CCC3C1CCC2OC(=O)CCC(=O)O)O","InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1","1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate; (17beta-Estradiol)-17-hemisuccinate","2007-09-06","2020-06-17","4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid",""],["5X3","5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid","C30 H28 Cl2 N4 O7 S","Cc1[nH]nc(C)c1c2c(Cl)ccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c([nH]c23)C(=O)N[S](=O)(=O)c5oc(cc5)C(O)=O;Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl","InChI=1S/C30H28Cl2N4O7S/c1-14-12-18(13-15(2)26(14)32)42-11-5-6-19-20-7-8-21(31)25(24-16(3)34-35-17(24)4)27(20)33-28(19)29(37)36-44(40,41)23-10-9-22(43-23)30(38)39/h7-10,12-13,33H,5-6,11H2,1-4H3,(H,34,35)(H,36,37)(H,38,39)","","2015-12-17","2016-02-26","5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid","2016-03-02"],["HE8","3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide","C8 H18 B N2 O5","N[C]1(CNC[CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1CNCC1(C(=O)O)N)(O)(O)O","InChI=1S/C8H18BN2O5/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14,15)16/h6,11,14-16H,1-5,10H2,(H,12,13)/q-1/t6-,8-/m0/s1","","2018-12-04","2019-08-23","3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide","2019-08-28"],["5X4","~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide","C25 H27 F3 N4 O2","CCC(=O)N1CCCC[CH](C1)n2c(NC(=O)c3cccc(c3)C(F)(F)F)nc4cccc(C)c24;CCC(=O)N1CCCCC(C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C","InChI=1S/C25H27F3N4O2/c1-3-21(33)31-13-5-4-11-19(15-31)32-22-16(2)8-6-12-20(22)29-24(32)30-23(34)17-9-7-10-18(14-17)25(26,27)28/h6-10,12,14,19H,3-5,11,13,15H2,1-2H3,(H,29,30,34)/t19-/m1/s1","","2015-12-17","2024-09-27","~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide","2016-07-27"],["HE9","methyl 3,4-bis(oxidanyl)benzoate","C8 H8 O4","COC(=O)c1ccc(O)c(O)c1;COC(=O)c1ccc(c(c1)O)O","InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3","","2020-12-23","2021-05-07","methyl 3,4-bis(oxidanyl)benzoate","2021-05-12"],["5X6","Zeaxanthin","C40 H56 O2","CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15?,30-16?,31-19+,32-20+/t35-,36-/m1/s1","(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol","2015-12-17","2024-11-15","(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol","2024-02-14"],["HEA","HEME-A","C49 H56 Fe N4 O6","O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C=6C=C7C(C=O)=C(C8=CC1=N2[Fe](n34)(N5=6)N78)CCC(=O)O)C)C(O)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C)/C=C)C;CC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(C=O)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)CCC(=O)O)C","InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1","","1999-07-08","2023-10-11","[3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipropanoato(2-)]iron",""],["5X7","(2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol","C26 H36 N4 O7","CC1CN(CC(C)O1)c1cc([N+]([O-])=O)c(NCc2ccc(CN3CC(O)C(O)C(O)C3CO)cc2)cc1;C[CH]1CN(C[CH](C)O1)c2ccc(NCc3ccc(CN4C[CH](O)[CH](O)[CH](O)[CH]4CO)cc3)c(c2)[N+]([O-])=O;CC1CN(CC(O1)C)c2ccc(c(c2)[N+](=O)[O-])NCc3ccc(cc3)CN4CC(C(C(C4CO)O)O)O","InChI=1S/C26H36N4O7/c1-16-11-28(12-17(2)37-16)20-7-8-21(22(9-20)30(35)36)27-10-18-3-5-19(6-4-18)13-29-14-24(32)26(34)25(33)23(29)15-31/h3-9,16-17,23-27,31-34H,10-15H2,1-2H3/t16-,17+,23-,24+,25-,26-/m1/s1","","2021-07-24","2023-02-17","(2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["5X8","S-adenosyl-L-cysteine","C13 H18 N6 O5 S","N[CH](CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCC(C(=O)O)N)O)O)N","InChI=1S/C13H18N6O5S/c14-5(13(22)23)1-25-2-6-8(20)9(21)12(24-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,1-2,14H2,(H,22,23)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1","","2015-12-17","2016-04-01","(2~{R})-3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-azanyl-propanoic acid","2016-04-06"],["HEB","HEME B/C","C34 H34 Fe N4 O4","CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C;CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C","InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)","1999-07-08","2024-09-27","",""],["5X9","1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid","C25 H24 N6 O3","CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3ncc(C(O)=O)c3[CH]4C[CH]4c5cn(C)nn5;Cn1cc(nn1)C2CC2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O","InChI=1S/C25H24N6O3/c1-29(2)24(32)17-8-4-6-15(10-17)16-7-5-9-18(11-16)31-23(21(13-26-31)25(33)34)20-12-19(20)22-14-30(3)28-27-22/h4-11,13-14,19-20H,12H2,1-3H3,(H,33,34)/t19-,20-/m1/s1","","2021-07-14","2021-11-12","1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid","2021-11-17"],["HEC","HEME C","C34 H34 Fe N4 O4","O=C(O)CCC1=C(C2=CC6=C(C(=C/C)C5=CC4=C(C(C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C;CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C;CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C","InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;","","1999-07-08","2025-07-31","{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",""],["HED","2-HYDROXYETHYL DISULFIDE","C4 H10 O2 S2","OCCSSCCO;OCCSSCCO;C(CSSCCO)O","InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2","","1999-07-08","2011-06-04","2,2'-disulfanediyldiethanol",""],["5XA","5-amino-N-hydroxypentanamide","C5 H12 N2 O2","ONC(=O)CCCCN;NCCCCC(=O)NO;C(CCN)CC(=O)NO","InChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)7-9/h9H,1-4,6H2,(H,7,8)","","2015-05-19","2015-07-24","5-amino-N-hydroxypentanamide","2015-07-29"],["HEE","N-HEXYLPHOSPHONATE ETHYL ESTER","C8 H19 O3 P","O=P(O)(OCC)CCCCCC;CCCCCC[P](O)(=O)OCC;CCCCCCP(=O)(O)OCC","InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)","","1999-07-08","2024-09-27","ethyl hydrogen (S)-hexylphosphonate",""],["5XB","(2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid","C5 H7 N O4 S","OC(=O)[CH]1CS[CH](N1)C(O)=O;C1C(NC(S1)C(=O)O)C(=O)O","InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m0/s1","","2015-12-18","2016-04-01","(2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid","2016-04-06"],["5XC","1,3-benzodioxole-5-carbaldehyde","C8 H6 O3","O=Cc1ccc2OCOc2c1;c1cc2c(cc1C=O)OCO2","InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2","","2015-12-18","2016-06-03","1,3-benzodioxole-5-carbaldehyde","2016-06-08"],["HEF","1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE","C14 H16 N2 O4 S","O=C2C(=C(Sc1ccccc1)N(C(=O)N2)COCCO)C;CC1=C(Sc2ccccc2)N(COCCO)C(=O)NC1=O;CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2","InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)","","1999-07-08","2011-06-04","1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione",""],["HEG","PROTOPORPHYRIN IX CONTAINING MG","C34 H32 Mg N4 O4","Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Mg]56n2c1C=C7C(=C(C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C=C)C)C=C)CCC(O)=O;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C","InChI=1S/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","1999-07-08","2023-09-23","",""],["5XD","4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide","C18 H21 N3 O4 S","CCc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2OC;CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C","InChI=1S/C18H21N3O4S/c1-5-12-6-8-13(9-7-12)26(23,24)19-14-10-15-16(11-17(14)25-4)21(3)18(22)20(15)2/h6-11,19H,5H2,1-4H3","","2015-12-20","2015-12-24","4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide","2015-12-29"],["HEH","HEDAMYCIN","C41 H52 N2 O11","O=C2c1c(cc(c(O)c1C(=O)c4c2cc(c3C(=O)C=C(Oc34)C6(OC6C5OC5C)C)C)C7OC(C)C(O)C(C)(C7)[NH+](C)C)C8OC(C)C(O)C([NH+](C)C)C8;C[CH]1O[CH](C[CH]([CH]1O)[NH+](C)C)c2cc([CH]3C[C](C)([CH](O)[CH](C)O3)[NH+](C)C)c(O)c4C(=O)c5c6OC(=CC(=O)c6c(C)cc5C(=O)c24)[C]7(C)O[CH]7[CH]8O[CH]8C;Cc1cc2c(c3c1C(=O)C=C(O3)C4(C(O4)C5C(O5)C)C)C(=O)c6c(c(cc(c6O)C7CC(C(C(O7)C)O)(C)[NH+](C)C)C8CC(C(C(O8)C)O)[NH+](C)C)C2=O","InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3/p+2/t17-,18+,19+,23-,25-,26-,32-,36-,38-,39+,40+,41+/m1/s1","","2001-07-02","2011-06-04","(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium (non-preferred name)",""],["5XE","4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide","C17 H18 Br N3 O4 S","COc1cc2N(C)C(=O)N(C)c2cc1N[S](=O)(=O)c3ccc(Br)cc3C;Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br","InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3","","2015-12-20","2016-01-08","4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide","2016-01-13"],["HEI","1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid","C21 H29 N5 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1N1CCC(CC1)C(=O)O;CCc1nc(N)nc(N)c1OCCCOc2ccccc2N3CCC(CC3)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O","InChI=1S/C21H29N5O4/c1-2-15-18(19(22)25-21(23)24-15)30-13-5-12-29-17-7-4-3-6-16(17)26-10-8-14(9-11-26)20(27)28/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,27,28)(H4,22,23,24,25)","","2022-01-03","2022-02-04","1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid","2022-02-09"],["5XF","~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide","C21 H24 N4 O3","COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCC4;CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC","InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)","","2015-12-20","2015-12-24","~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide","2015-12-29"],["HEJ","9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine","C10 H16 N5 O13 P3","Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1","Vidarabine-TRIPHOSPHATE","2018-06-27","2021-03-01","9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine","2018-10-24"],["5XG","8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one","C20 H21 Cl N6 O","Nc1[nH]nc2cc(ccc12)c3cncc(Cl)c3N4CCC5(CCNC5=O)CC4;c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N","InChI=1S/C20H21ClN6O/c21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28/h1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26)","","2015-12-21","2016-01-29","8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one","2016-02-03"],["HEK","3-[1-[(2~{S})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{S})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid","C25 H30 N12 O8","CC(=O)NCC(=O)N[CH](Cn1cc(nn1)c2cc(cc(c2)c3cn(C[CH](N)C(=O)NCC(=O)NCC(N)=O)nn3)C(O)=O)C=O;CC(=O)NCC(=O)NC(Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)CC(C(=O)NCC(=O)NCC(=O)N)N)C=O","InChI=1S/C25H30N12O8/c1-13(39)28-7-23(42)31-17(12-38)8-36-10-19(32-34-36)14-2-15(4-16(3-14)25(44)45)20-11-37(35-33-20)9-18(26)24(43)30-6-22(41)29-5-21(27)40/h2-4,10-12,17-18H,5-9,26H2,1H3,(H2,27,40)(H,28,39)(H,29,41)(H,30,43)(H,31,42)(H,44,45)/t17-,18-/m0/s1","","2018-12-04","2024-02-28","3-[1-[(2~{S})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{S})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid","2019-04-24"],["5XH","~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide","C27 H34 N6 O2","CN(C)CC=CC(=O)N1CCCC[CH](C1)n2c(NC(=O)c3ccnc(C)c3)nc4cccc(C)c24;Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)C4CCCCN(C4)C(=O)C=CCN(C)C","InChI=1S/C27H34N6O2/c1-19-9-7-11-23-25(19)33(27(29-23)30-26(35)21-13-14-28-20(2)17-21)22-10-5-6-16-32(18-22)24(34)12-8-15-31(3)4/h7-9,11-14,17,22H,5-6,10,15-16,18H2,1-4H3,(H,29,30,35)/b12-8+/t22-/m1/s1","","2015-12-21","2024-09-27","~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide","2016-07-27"],["5XI","methyl 4-[4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate","C20 H28 N4 O3","COC(=O)N1CCC(CC1)N2CCC(CC2)N3C(=O)N(C)c4ccccc34;CN1c2ccccc2N(C1=O)C3CCN(CC3)C4CCN(CC4)C(=O)OC","InChI=1S/C20H28N4O3/c1-21-17-5-3-4-6-18(17)24(19(21)25)16-9-11-22(12-10-16)15-7-13-23(14-8-15)20(26)27-2/h3-6,15-16H,7-14H2,1-2H3","","2021-08-25","2022-05-06","methyl 4-[4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate","2022-05-11"],["HEL","(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE","C17 H25 N4 O7 S","O=C([O-])C1N2C(=O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C2SC1(C)C;CC1(C)S[CH]2[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)C(=O)N2[CH]1C([O-])=O;CC1(C(N2C(S1)C(C2=O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C","InChI=1S/C17H26N4O7S/c1-17(2)12(16(27)28)21-13(24)11(14(21)29-17)20-9(22)6-4-3-5-8(15(25)26)19-10(23)7-18/h8,11-12,14H,3-7,18H2,1-2H3,(H,19,23)(H,20,22)(H,25,26)(H,27,28)/p-1/t8-,11+,12-,14+/m0/s1","","2003-07-11","2011-06-04","(2S,5R,6R)-6-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",""],["5XJ","6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine","C18 H16 F2 N8 O2 S","CN(C)[S](=O)(=O)Nc1ccc(F)c(Nc2ncccc2c3ncnc4nc[nH]c34)c1F;CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F","InChI=1S/C18H16F2N8O2S/c1-28(2)31(29,30)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16/h3-9,27H,1-2H3,(H,21,26)(H,22,23,24,25)","","2015-12-21","2016-04-29","6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine","2016-05-04"],["HEM","PROTOPORPHYRIN IX CONTAINING FE","C34 H32 Fe N4 O4","C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)C=C)C)C=C)C)C)CCC(=O)O;CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O","InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","HEME","1999-07-08","2024-09-27","3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",""],["HEN","2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID","C13 H18 N2 O10 P2","O=P(O)(O)C/C=C/C(=NCc1c(cnc(c1O)C)COP(=O)(O)O)C(=O)O;Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=CC[P](O)(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=CCP(=O)(O)O)C(=O)O)O","InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5,16H,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2+,15-11+","","2001-02-21","2011-06-04","(2E,3E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-5-phosphonopent-3-enoic acid",""],["5XK","6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one","C17 H19 Cl N2 O","CCC(CC)Cc1ccn2c1NC(=O)c3c(Cl)cccc23;CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl","InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)","","2015-12-22","2016-05-27","6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one","2016-06-01"],["5XL","6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one","C14 H14 Cl N3 O","CN(C)Cc1ccn2c1NC(=O)c3c(Cl)cccc23;CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl","InChI=1S/C14H14ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-7H,8H2,1-2H3,(H,16,19)","","2015-12-22","2016-05-27","6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one","2016-06-01"],["HEO","HEME O","C49 H58 Fe N4 O5","[Fe]321N4C5=CC8=[N+]1C(=Cc7n2c(C=C6[N+]3=C(C=C4C(=C5CCC(=O)O)C)C(=C6C(O)CCC=C(/CCC=C(CCC=C(C)C)C)C)C)c(c7C=C)C)C(=C8CCC(=O)O)C;CC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=[N+]3C1=Cc4n5c(C=C6C(=C(CCC(O)=O)C7=[N+]6[Fe]35[N]8C(=C2)C(=C(CCC(O)=O)C8=C7)C)C)c(C=C)c4C;Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O","InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+4/p-2/b29-16+,30-18-,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1","","2000-09-28","2020-06-11","[3,3'-{7-ethenyl-12-[(1S,4Z,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}di(propanoato)(2-)]iron(2+)",""],["HEP","PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE","C15 H22 N O6 P","O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC;CCCC[CH](NC(=O)CCC(O)=O)[P](O)(=O)Oc1ccccc1;CCCCC(NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1","InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1","","1999-07-08","2011-06-04","4-({(1R)-1-[(R)-hydroxy(phenoxy)phosphoryl]pentyl}amino)-4-oxobutanoic acid",""],["5XM","(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one","C17 H21 N3 O","O=C1N=C2[CH](CCN2c3ccccc13)CN4CCCCC4;c1ccc2c(c1)C(=O)N=C3N2CCC3CN4CCCCC4","InChI=1S/C17H21N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,13H,1,4-5,8-12H2/t13-/m1/s1","","2015-12-22","2016-05-27","(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one","2016-06-01"],["HEQ","3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONE","C40 H54 O2","CC1(C)CC(O)CC(C)=C1C=CC(C)=CC=CC(C)=CC=CC=C(/C)C=CC=C(/C)C=CC2=C(C)C(=O)CCC2(C)C;CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)C(C)(C)C[CH](O)C1;CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C","InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m0/s1","3-HYDROXYECHINENONE","2002-07-29","2017-05-03","(3'S)-3'-hydroxy-beta,beta-caroten-4-one",""],["5XN","(1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium","C14 H14 Cl N6 O4","C=1(C(NOC=1c2nnn(n2)Cc3cc(ccc3)Cl)=O)CC([NH3+])C(=O)O;[NH3+][CH](CC1=C(ONC1=O)c2nnn(Cc3cccc(Cl)c3)n2)C(O)=O;c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)CC(C(=O)O)[NH3+]","InChI=1S/C14H13ClN6O4/c15-8-3-1-2-7(4-8)6-21-18-12(17-20-21)11-9(13(22)19-25-11)5-10(16)14(23)24/h1-4,10H,5-6,16H2,(H,19,22)(H,23,24)/p+1/t10-/m0/s1","","2015-12-22","2016-02-26","(1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium","2016-03-02"],["HER","7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one","C16 H12 O8","COc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O;COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O","InChI=1S/C16H12O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,17-20,22H,1H3","","2020-12-23","2024-09-27","7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one","2021-05-12"],["5XO","(S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid","C15 H16 N6 O4","C=1(C(NOC=1c2nnn(n2)Cc3cc(ccc3)C)=O)CC(N)C(=O)O;Cc1cccc(Cn2nnc(n2)C3=C(C[CH](N)C(O)=O)C(=O)NO3)c1;Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)CC(C(=O)O)N","InChI=1S/C15H16N6O4/c1-8-3-2-4-9(5-8)7-21-18-13(17-20-21)12-10(14(22)19-25-12)6-11(16)15(23)24/h2-5,11H,6-7,16H2,1H3,(H,19,22)(H,23,24)/t11-/m0/s1","","2015-12-22","2016-02-26","3-{5-[2-(3-methylbenzyl)-2H-tetrazol-5-yl]-3-oxo-2,3-dihydro-1,2-oxazol-4-yl}-L-alanine","2016-03-02"],["5XP","(2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid","C15 H17 N7 O4","NCc1cccc(Cn2nnc(n2)c3onc(O)c3C[CH](N)C(O)=O)c1;c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)CC(C(=O)O)N)CN","InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1","","2015-12-22","2016-02-26","(2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid","2016-03-02"],["HES","ZINC SUBSTITUTED HEME C","C34 H34 N4 O4 Zn","CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Zn]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C;CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C","InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7+,22-8?,26-13-,29-14-,30-15-,31-16-;","","2002-07-22","2024-09-27","",""],["HET","3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL","C26 H30 N5 O2 P","O=P(c1ccc(cc1)Nc4nc(nc2c4ncn2CCc3cccc(O)c3)C5CCCC5)(C)C;C[P](C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C5CCCC5)cc1;CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O","InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30)","","2005-11-02","2011-06-04","3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9H-purin-9-yl)ethyl]phenol",""],["5XQ","~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","C16 H16 N4 O2 S2","COc1ccccc1Nc2scc(n2)c3sc(NC(C)=O)nc3C;Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC","InChI=1S/C16H16N4O2S2/c1-9-14(24-16(17-9)18-10(2)21)12-8-23-15(20-12)19-11-6-4-5-7-13(11)22-3/h4-8H,1-3H3,(H,19,20)(H,17,18,21)","","2015-12-22","2017-09-08","~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide","2017-09-13"],["HEU","3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C11 H17 N2 O9 P","O=C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)CCO;OCCN1C(=O)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O;C1C(C(OC1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O","InChI=1S/C11H17N2O9P/c14-4-3-12-9(16)1-2-13(11(12)17)10-5-7(15)8(22-10)6-21-23(18,19)20/h1-2,7-8,10,14-15H,3-6H2,(H2,18,19,20)/t7-,8+,10+/m0/s1","","2002-02-15","2011-06-04","2'-deoxy-3-(2-hydroxyethyl)uridine 5'-(dihydrogen phosphate)",""],["5XR","2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid","C7 H11 N O7","O=C(O)CC(NC(O)CC=O)(C(O)=O)O;O[CH](CC=O)N[C](O)(CC(O)=O)C(O)=O;C(C=O)C(NC(CC(=O)O)(C(=O)O)O)O","InChI=1S/C7H11NO7/c9-2-1-4(10)8-7(15,6(13)14)3-5(11)12/h2,4,8,10,15H,1,3H2,(H,11,12)(H,13,14)/t4-,7+/m0/s1","","2015-12-23","2019-08-16","2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid","2019-08-21"],["5XS","methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate","C14 H11 N5 O3","COC(=O)c1cccc(c1)C(=O)Nc2ncnc3nc[nH]c23;COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2","InChI=1S/C14H11N5O3/c1-22-14(21)9-4-2-3-8(5-9)13(20)19-12-10-11(16-6-15-10)17-7-18-12/h2-7H,1H3,(H2,15,16,17,18,19,20)","","2015-12-24","2017-01-06","methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate","2017-01-11"],["HEV","5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX","C36 H32 Fe N4 O4","CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C;CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O","InChI=1S/C36H34N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31;/h7-10,15-18H,1-4,11-14H2,5-6H3,(H4,37,38,39,40,41,42,43,44);/q;+2/p-2/b27-15-,28-16-,29-15-,30-16-,31-17-,32-17-,33-18-,34-18-;","1,3-DEDIMETHYL-1,3-DIVINYL HEME","2000-04-13","2023-09-23","",""],["HEW","4-bromanylpyridin-2-amine","C5 H5 Br N2","Nc1cc(Br)ccn1;c1cnc(cc1Br)N","InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)","","2018-12-04","2019-03-15","4-bromanylpyridin-2-amine","2019-03-20"],["5XT","~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide","C18 H15 N O4 S","Oc1ccc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)cc1O;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O","InChI=1S/C18H15NO4S/c20-17-11-8-15(12-18(17)21)19-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,19-21H","","2015-12-25","2016-10-28","~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide","2016-11-02"],["5XU","(2~{S})-2-azanylpropanal","C3 H7 N O","C[CH](N)C=O;CC(C=O)N","InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1","Ala-aldehyde","2015-12-25","2024-09-27","(2~{S})-2-azanylpropanal","2016-02-10"],["HEX","HEXANE","C6 H14","CCCCCC;CCCCCC;CCCCCC","InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","","1999-07-08","2011-06-04","hexane",""],["5XV","~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide","C16 H15 F3 N6 O2","C[CH](Oc1nc(cnc1N)c2ccc3nc(NC(C)=O)cn3c2)C(F)(F)F;CC(C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N","InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)/t8-/m0/s1","","2015-12-28","2016-01-29","~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide","2016-02-03"],["HEY","(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID","C13 H20 N2 O10 P2","O=P(O)(O)CC/C=C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CNC(=CCC[P](O)(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=CCCP(=O)(O)O)C(=O)O)O","InChI=1S/C13H20N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h3,5,15-16H,2,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b11-3+","","2003-12-10","2011-06-04","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid",""],["HEZ","HEXANE-1,6-DIOL","C6 H14 O2","OCCCCCCO;OCCCCCCO;C(CCCO)CCO","InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2","","1999-07-08","2011-06-04","hexane-1,6-diol",""],["5XW","(2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid","C7 H9 N O6","O[CH](CC=O)N=C(CC(O)=O)C(O)=O;C(C=O)C(N=C(CC(=O)O)C(=O)O)O","InChI=1S/C7H9NO6/c9-2-1-5(10)8-4(7(13)14)3-6(11)12/h2,5,10H,1,3H2,(H,11,12)(H,13,14)/b8-4-/t5-/m1/s1","","2015-12-28","2019-08-16","(2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid","2019-08-21"],["HF0","(2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one","C16 H14 O8","COc1cc(O)c2C(=O)[CH](O)[CH](Oc2c1)c3cc(O)c(O)c(O)c3;COc1cc(c2c(c1)OC(C(C2=O)O)c3cc(c(c(c3)O)O)O)O","InChI=1S/C16H14O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,15-20,22H,1H3/t15-,16+/m1/s1","","2020-12-23","2024-09-27","(2~{S},3~{S})-7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-2,3-dihydrochromen-4-one","2021-05-12"],["5XX","2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","C24 H24 N8 O2 S2","O=C(Cc1ccccc1)Nc2sc(N[CH]3CCN(C3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m1/s1","","2015-12-30","2016-05-06","2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","2016-05-11"],["5XY","2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","C24 H24 N8 O2 S2","O=C(Cc1ccccc1)Nc2sc(N[CH]3CCN(C3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m0/s1","","2015-12-30","2016-05-06","2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide","2016-05-11"],["HF1","4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID","C10 H12 F O4 P S","Fc1cc(SCC/C=C/P(=O)(O)O)c(O)cc1;Oc1ccc(F)cc1SCCC=C[P](O)(O)=O;c1cc(c(cc1F)SCCC=CP(=O)(O)O)O","InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+","","1999-08-10","2011-06-04","{(1E)-4-[(5-fluoro-2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid",""],["HF2","(2R)-2-hydroxy-3-phenylpropanoic acid","C9 H10 O3","O=C(O)C(O)Cc1ccccc1;O[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)O","InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1","","2010-07-12","2024-09-27","(2R)-2-hydroxy-3-phenylpropanoic acid",""],["5XZ","2-phenyl-~{N}-[5-[(3~{S})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide","C24 H23 N7 O3 S2","O=C(Cc1ccccc1)Nc2sc(O[CH]3CCN(C3)c4sc(NC(=O)Cc5ccccc5)nn4)nn2;c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5","InChI=1S/C24H23N7O3S2/c32-19(13-16-7-3-1-4-8-16)25-21-27-29-23(35-21)31-12-11-18(15-31)34-24-30-28-22(36-24)26-20(33)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,27,32)(H,26,28,33)/t18-/m0/s1","","2015-12-30","2016-05-06","2-phenyl-~{N}-[5-[(3~{S})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide","2016-05-11"],["HF3","SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3","H7 Hf3 O15 P","O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4;O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O","InChI=1S/3Hf.H3O4P.7H2O.4O/c;;;1-5(2,3)4;;;;;;;;;;;/h;;;(H3,1,2,3,4);7*1H2;;;;/q2*+3;+4;;;;;;;;;;;;/p-10","","2002-11-12","2023-09-23","",""],["5Y0","N-[(2S)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide","C16 H14 F3 I N2 O4","O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F;OC[CH](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOCC(CO)O","InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m0/s1","N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE","2012-03-15","2020-06-17","N-{[(2S)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide","2012-12-14"],["HF4","4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one","C9 H16 N3 O14 P3","C=1N(C(=O)N=C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)(O)=O)O2)O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1","Cytarabine-TRIPHOSPHATE","2018-06-27","2021-03-01","4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one","2018-10-10"],["5Y1","(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione","C23 H23 N3 O5","O=C1NCCc2cc(ccc2)OCCCCOc2cccc(c2)C=2N=C1C(O)C(=O)N=2;O[CH]1C(=O)N=C2N=C1C(=O)NCCc3cccc(OCCCCOc4cccc2c4)c3;c1cc2cc(c1)OCCCCOc3cccc(c3)C4=NC(=O)C(C(=N4)C(=O)NCC2)O","InChI=1S/C23H23N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h3-8,13-14,20,27H,1-2,9-12H2,(H,24,28)","","2021-07-27","2022-07-22","(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione","2022-07-27"],["HF5","HF OXO CLUSTER HF5","H12 Hf5 O21","O[Hf]123O[Hf](O)(O)(O)(O)O[Hf]4(O)(O)(O1)O[Hf]5(O)(O)(O2)O[Hf](O)(O)(O)(O3)(O4)O5;O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)(O4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O","InChI=1S/5Hf.12H2O.9O/h;;;;;12*1H2;;;;;;;;;/q+1;2*+2;+3;+4;;;;;;;;;;;;;;;;;;;;;/p-12","","2002-11-12","2023-09-23","",""],["5Y2","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide","C19 H19 N7 O","CC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C;Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4","InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)","","2016-01-03","2016-02-05","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide","2016-02-10"],["HF6","methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","C10 H10 O3","COC(=O)C=Cc1ccc(O)cc1;COC(=O)C=Cc1ccc(cc1)O","InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+","","2020-12-23","2021-10-22","methyl (~{E})-3-(4-hydroxyphenyl)prop-2-enoate","2021-10-27"],["5Y3","~{N}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide","C21 H25 N9 O","CN(CCN)c1ccc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)cc1NC(C)=O;CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4","InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)","","2016-01-03","2016-02-05","~{N}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide","2016-02-10"],["5Y4","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide","C23 H29 N9 O","CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)cc1NC(C)=O;CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4","InChI=1S/C23H29N9O/c1-15(33)26-19-11-18(7-8-20(19)31(4)10-9-30(2)3)27-21-12-22(28-17-5-6-17)32-23(29-21)16(13-24)14-25-32/h7-8,11-12,14,17,28H,5-6,9-10H2,1-4H3,(H,26,33)(H,27,29)","","2016-01-03","2016-02-05","~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide","2016-02-10"],["HF7","2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)","C11 H18 N5 O12 P3","c3(nc(c2c(n(C1CC(C(COP(=O)(O)OP(OP(O)(O)=O)(=O)O)O1)O)cn2)n3)N)C;Cc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)c2n1;Cc1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C11H18N5O12P3/c1-5-14-10(12)9-11(15-5)16(4-13-9)8-2-6(17)7(26-8)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4,6-8,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t6-,7+,8+/m0/s1","Cladribine-TRIPHOSPHATE","2018-06-27","2021-03-01","2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)","2018-10-10"],["5Y5","2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C18 H18 Br F2 N5","Cc1cc(N[CH]2CCc3ccc(Br)cc3C2)n4nc(nc4n1)C(C)(F)F;Cc1cc(n2c(n1)nc(n2)C(C)(F)F)NC3CCc4ccc(cc4C3)Br","InChI=1S/C18H18BrF2N5/c1-10-7-15(26-17(22-10)24-16(25-26)18(2,20)21)23-14-6-4-11-3-5-13(19)8-12(11)9-14/h3,5,7-8,14,23H,4,6,9H2,1-2H3/t14-/m0/s1","","2016-01-04","2016-05-13","2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2016-05-18"],["HF8","[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate","C7 H14 O9 S","OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(C1OS(=O)(=O)O)O)O)O)O)O","InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3+,4+,5-,6+,7+/m1/s1","","2018-12-04","2024-09-27","[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate","2019-10-09"],["5Y6","8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one","C20 H21 Cl N4 O4 S","CN1c2ccc(cc2C[S]1(=O)=O)c3cncc(Cl)c3N4CCC5(CC4)CNC(=O)O5;CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl","InChI=1S/C20H21ClN4O4S/c1-24-17-3-2-13(8-14(17)11-30(24,27)28)15-9-22-10-16(21)18(15)25-6-4-20(5-7-25)12-23-19(26)29-20/h2-3,8-10H,4-7,11-12H2,1H3,(H,23,26)","","2016-01-05","2016-01-29","8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one","2016-02-03"],["HF9","methyl 2,4-bis(oxidanyl)benzoate","C8 H8 O4","COC(=O)c1ccc(O)cc1O;COC(=O)c1ccc(cc1O)O","InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3","","2020-12-24","2021-10-22","methyl 2,4-bis(oxidanyl)benzoate","2021-10-27"],["HFA","ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID","C9 H10 O3","O=C(O)C(O)Cc1ccccc1;O[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)O","InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-hydroxy-3-phenylpropanoic acid",""],["5Y7","5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide","C24 H31 Cl N4 O3 S","COCCN1CCCC12CCN(CC2)c3c(Cl)cncc3c4ccc5N(C)[S](=O)(=O)Cc5c4;CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl","InChI=1S/C24H31ClN4O3S/c1-27-22-5-4-18(14-19(22)17-33(27,30)31)20-15-26-16-21(25)23(20)28-10-7-24(8-11-28)6-3-9-29(24)12-13-32-2/h4-5,14-16H,3,6-13,17H2,1-2H3","","2016-01-05","2016-01-29","5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide","2016-02-03"],["HFB","hexafluorobenzene","C6 F6","Fc1c(F)c(F)c(F)c(F)c1F;Fc1c(F)c(F)c(F)c(F)c1F;c1(c(c(c(c(c1F)F)F)F)F)F","InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9","","2008-07-11","2011-06-04","hexafluorobenzene",""],["5Y8","8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one","C21 H23 Cl N6 O","Cn1ncc2cc(ccc12)c3cnc(N)c(Cl)c3N4CCC5(CCNC5=O)CC4;Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N","InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)","","2016-01-05","2016-01-29","8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one","2016-02-03"],["HFC","6,7-bis(oxidanyl)chromen-2-one","C9 H6 O4","Oc1cc2OC(=O)C=Cc2cc1O;c1c2c(cc(c1O)O)OC(=O)C=C2","InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H","","2020-12-24","2021-10-22","6,7-bis(oxidanyl)chromen-2-one","2021-10-27"],["5Y9","~{N},~{N}-dimethylethanamide","C4 H9 N O","CN(C)C(C)=O;CC(=O)N(C)C","InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3","","2016-01-05","2017-01-20","~{N},~{N}-dimethylethanamide","2017-01-25"],["HFD","2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a\nmine","C10 H15 F N5 O13 P3","O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O;Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N","InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1","Fludarabine-TRIPHOSPHATE","2018-06-27","2020-06-17","2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine","2018-10-10"],["5YA","4-naphthalen-1-yl-~{N}-oxidanyl-benzamide","C17 H13 N O2","ONC(=O)c1ccc(cc1)c2cccc3ccccc23;c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO","InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)","","2016-01-05","2016-10-21","4-naphthalen-1-yl-~{N}-oxidanyl-benzamide","2016-10-26"],["5YB","N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine","C24 H27 N5 O7","C(c1ccc(C(=N)N)cc1)(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)O;NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[CH](CC(O)=O)C(=O)N[CH](Cc2ccccc2)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)c2ccc(cc2)C(=N)N","InChI=1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1","Ro-435054","2016-01-05","2021-03-01","N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine","2016-02-03"],["HFF","4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide","C21 H24 N4 O3 S2","N[S](=O)(=O)c1ccc(CCNC(=S)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1;c1ccc2c(c1)CCN3C2CN(CC3=O)C(=S)NCCc4ccc(cc4)S(=O)(=O)N","InChI=1S/C21H24N4O3S2/c22-30(27,28)17-7-5-15(6-8-17)9-11-23-21(29)24-13-19-18-4-2-1-3-16(18)10-12-25(19)20(26)14-24/h1-8,19H,9-14H2,(H,23,29)(H2,22,27,28)/t19-/m0/s1","(11b-R)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide","2022-02-07","2023-02-10","(11~{b}~{R})-4-oxidanylidene-~{N}-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carbothioamide","2023-02-15"],["HFG","7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one","C16 H17 Br Cl N3 O3","Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3;O[CH]1CCCN[CH]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O;c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)CC3C(CCCN3)O","InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1","Halofuginone","2012-11-09","2021-03-01","7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one","2012-12-28"],["5YC","7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","C15 H16 N4 O S","CCN(CC1=CC(=O)N2N=C(C)SC2=N1)c3ccccc3;CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3","InChI=1S/C15H16N4OS/c1-3-18(13-7-5-4-6-8-13)10-12-9-14(20)19-15(16-12)21-11(2)17-19/h4-9H,3,10H2,1-2H3","","2016-01-05","2016-02-19","7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","2016-02-24"],["HFH","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","C27 H36 F N5 O4 S","CC(C)C[CH](NC(=O)c1ccc(cc1)c2csc(n2)N3CCN(C)CC3)C(=O)N4C[CH](F)[CH]5OC[CH](O)[CH]45;CC(C)CC(C(=O)N1CC(C2C1C(CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C","InChI=1S/C27H36FN5O4S/c1-16(2)12-20(26(36)33-13-19(28)24-23(33)22(34)14-37-24)29-25(35)18-6-4-17(5-7-18)21-15-38-27(30-21)32-10-8-31(3)9-11-32/h4-7,15-16,19-20,22-24,34H,8-14H2,1-3H3,(H,29,35)/t19-,20-,22-,23+,24+/m0/s1","","2019-02-01","2024-09-27","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide","2020-02-19"],["5YD","4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide","C20 H18 F N3 O3 S","Fc1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)NCc3cccnc3;c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F","InChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-14-15-3-5-17(6-4-15)20(25)23-13-16-2-1-11-22-12-16/h1-12,24H,13-14H2,(H,23,25)","","2016-01-05","2016-02-19","4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide","2016-02-24"],["5YE","6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one","C18 H18 F N3 O S","CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(F)cc4;CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F","InChI=1S/C18H18FN3OS/c1-2-21(14-8-6-12(19)7-9-14)11-13-10-17(23)22-15-4-3-5-16(15)24-18(22)20-13/h6-10H,2-5,11H2,1H3","","2016-01-05","2016-02-19","6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one","2016-02-24"],["HFI","1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol","C12 H10 N2 O","Cc1nccc2c1[nH]c3cc(O)ccc23;Cc1c2c(ccn1)c3ccc(cc3[nH]2)O","InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3","harmol","2022-05-25","2023-03-31","1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol","2023-04-05"],["HFJ","2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol","C25 H34 N2 O3","c3(CN2C(CCO)CN(C[C@H]=[C@H]c1ccc(cc1)OC)CC2)ccc(cc3)OCC;CCOc1ccc(CN2CCN(CC=Cc3ccc(OC)cc3)C[CH]2CCO)cc1;CCOc1ccc(cc1)CN2CCN(CC2CCO)CC=Cc3ccc(cc3)OC","InChI=1S/C25H34N2O3/c1-3-30-25-12-8-22(9-13-25)19-27-17-16-26(20-23(27)14-18-28)15-4-5-21-6-10-24(29-2)11-7-21/h4-13,23,28H,3,14-20H2,1-2H3/b5-4+/t23-/m0/s1","RG6","2018-06-27","2022-07-01","2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol","2022-07-06"],["5YF","7-[(4-fluoranylphenoxy)methyl]-3-[(1~{S},2~{S})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one","C18 H17 F N2 O3 S","CC1=C([CH]2C[CH]2CO)N3C(=O)C=C(COc4ccc(F)cc4)N=C3S1;CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)C4CC4CO","InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m1/s1","","2016-01-05","2016-02-19","7-[(4-fluoranylphenoxy)methyl]-3-[(1~{S},2~{S})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one","2016-02-24"],["HFK","2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one","C20 H22 N4 O2","O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4;c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O","InChI=1S/C20H22N4O2/c25-15-9-6-8-14-17(15)20(11-4-1-5-12-20)24-18(21-14)23-19-22-13-7-2-3-10-16(13)26-19/h2-3,7,10H,1,4-6,8-9,11-12H2,(H2,21,22,23,24)","","2018-12-05","2019-01-18","2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one","2019-01-23"],["5YG","~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline","C20 H20 N2 O","COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1;COc1ccc(cc1)CNc2ccc(cc2)Cc3ccncc3","InChI=1S/C20H20N2O/c1-23-20-8-4-18(5-9-20)15-22-19-6-2-16(3-7-19)14-17-10-12-21-13-11-17/h2-13,22H,14-15H2,1H3","","2021-07-15","2022-11-11","~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline","2022-11-16"],["5YH","1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one","C18 H17 F2 N3 O2","O[CH](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24;c1cc2c(cc1F)c3cc(ccc3n2CC(CN4CCNC4=O)O)F","InChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1","","2021-08-25","2022-08-19","1-[(2~{R})-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one","2022-08-24"],["HFL","5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL","C10 H12 O5","O(c1cc(cc(O)c1O)/C=C/C(O)O)C;COc1cc(C=CC(O)O)cc(O)c1O;COc1cc(cc(c1O)O)C=CC(O)O","InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+","","2002-02-12","2011-06-04","5-[(1E)-3,3-dihydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol",""],["HFM","2-FORMYL-PROTOPORPHRYN IX","C33 H32 Fe N4 O5","O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=CO)C)C;CC1=C2C=C3N4C(=C(C)C3=CO)C=C5N6C(=Cc7n8c(C=C([CH]1C=C)N2[Fe]468)c(C)c7CCC(O)=O)C(=C5C)CCC(O)=O;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O","InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26;/h6,11-15,20,38H,1,7-10H2,2-5H3,(H,39,40)(H,41,42);/q-4;+4/b23-15-,24-11-,28-12-,29-14-,31-13-;/t20-;/m1./s1","","2003-09-23","2024-09-27","{3,3'-[(7R,12Z)-7-ethenyl-12-(hydroxymethylidene)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",""],["5YI","(1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol","C28 H44 O4 S","OC3C(=CCO)C(O)CC(=CC=C1/CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)C3;CCC(O)(CC)CS[CH](C)C1=CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=CCO)[CH](O)C3;CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(=CCO)C(C3)O)O)C)O","InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24-,25+,26+,27+/m0/s1","","2012-06-04","2013-05-17","(1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol","2013-05-22"],["HFN","6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one","C21 H18 F3 N3 O3","Fc1ccc(cc1)c4n(nc(c4c3ccc2OCC(=O)Nc2c3)C)CC(F)(F)CO;Cc1nn(CC(F)(F)CO)c(c2ccc(F)cc2)c1c3ccc4OCC(=O)Nc4c3;Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4","InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)","","2014-05-15","2014-11-21","6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one","2014-11-26"],["5YJ","6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","C16 H16 Cl2 N4 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(Cl)c(C)c(Cl)c1;Cc1c(Cl)cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl","InChI=1S/C16H16Cl2N4O3/c1-9-11(17)6-10(7-12(9)18)21-2-4-22(5-3-21)15(24)13-8-14(23)20-16(25)19-13/h6-8H,2-5H2,1H3,(H2,19,20,23,25)","","2021-07-27","2021-11-05","6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["HFO","1-[3,4-bis(oxidanyl)phenyl]ethanone","C8 H8 O3","CC(=O)c1ccc(O)c(O)c1;CC(=O)c1ccc(c(c1)O)O","InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3","","2020-12-24","2021-10-22","1-[3,4-bis(oxidanyl)phenyl]ethanone","2021-10-27"],["5YK","6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide","C20 H18 F N3 O2","COc1cccc(c1)[CH](C)NC(=O)c2ccc(nc2)c3ccnc(F)c3;CC(c1cccc(c1)OC)NC(=O)c2ccc(nc2)c3ccnc(c3)F","InChI=1S/C20H18FN3O2/c1-13(14-4-3-5-17(10-14)26-2)24-20(25)16-6-7-18(23-12-16)15-8-9-22-19(21)11-15/h3-13H,1-2H3,(H,24,25)/t13-/m1/s1","","2021-07-19","2025-10-17","6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide","2025-10-22"],["HFP","ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID","C15 H33 O4 P","O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C;CC(C)CCC[CH](C)CCC[CH](C)C[CH](O)[P](O)(O)=O;CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O","InChI=1S/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)/t13-,14-,15+/m1/s1","","1999-07-08","2011-06-04","[(1S,3R,7R)-1-hydroxy-3,7,11-trimethyldodecyl]phosphonic acid",""],["5YL","5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMIDINEDIONE-5-YL) PENTYL-1-PHOSPHONIC ACID","C14 H26 N3 O9 P","O=C1NC(NCC(O)C(O)C(O)CO)=C(C(=O)N1)CCCCCP(=O)(O)O;OC[CH](O)[CH](O)[CH](O)CNC1=C(CCCCC[P](O)(O)=O)C(=O)NC(=O)N1;C(CCC1=C(NC(=O)NC1=O)NCC(C(C(CO)O)O)O)CCP(=O)(O)O","InChI=1S/C14H26N3O9P/c18-7-10(20)11(21)9(19)6-15-12-8(13(22)17-14(23)16-12)4-2-1-3-5-27(24,25)26/h9-11,18-21H,1-7H2,(H2,24,25,26)(H3,15,16,17,22,23)/t9-,10+,11-/m0/s1","","2003-02-04","2011-06-04","1-deoxy-1-{[2,6-dioxo-5-(5-phosphonopentyl)-1,2,3,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol",""],["HFQ","2,4-dihydroxyphenacyl coenzyme A","C29 H42 N7 O19 P3 S","O=C(c1ccc(O)cc1O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(O)cc4O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O","InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-6-5-20(40)31-7-8-59-11-18(39)16-4-3-15(37)9-17(16)38)12-52-58(49,50)55-57(47,48)51-10-19-23(54-56(44,45)46)22(41)28(53-19)36-14-35-21-25(30)33-13-34-26(21)36/h3-4,9,13-14,19,22-24,28,37-38,41-42H,5-8,10-12H2,1-2H3,(H,31,40)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/t19-,22-,23-,24+,28-/m1/s1","","2011-06-10","2014-07-25","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2014-07-30"],["5YM","(Z)-N-(2-hydroxyethyl)octadec-9-enamide","C20 H39 N O2","CCCCCCCCC=CCCCCCCCC(=O)NCCO;CCCCCCCCC=CCCCCCCCC(=O)NCCO","InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-","","2021-08-25","2022-05-13","(~{Z})-~{N}-(2-hydroxyethyl)octadec-9-enamide","2022-05-18"],["5YN","6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","C15 H13 Cl3 N4 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(Cl)c(Cl)c(Cl)c1;Clc1cc(cc(Cl)c1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3","InChI=1S/C15H13Cl3N4O3/c16-9-5-8(6-10(17)13(9)18)21-1-3-22(4-2-21)14(24)11-7-12(23)20-15(25)19-11/h5-7H,1-4H2,(H2,19,20,23,25)","","2021-07-27","2021-11-05","6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["HFR","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate","C19 H22 Br N7 O7 S","N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(Br)c4;c1cc(cc(c1)Br)C(CC(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C19H22BrN7O7S/c20-10-3-1-2-9(4-10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1","","2020-12-28","2021-02-26","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate","2021-03-03"],["5YO","4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide","C19 H23 F N4 O2","COc1cccc(c1)[CH](C)NC(=O)N2CCN(CC2)c3ccncc3F;CC(c1cccc(c1)OC)NC(=O)N2CCN(CC2)c3ccncc3F","InChI=1S/C19H23FN4O2/c1-14(15-4-3-5-16(12-15)26-2)22-19(25)24-10-8-23(9-11-24)18-6-7-21-13-17(18)20/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)/t14-/m1/s1","","2021-07-19","2025-10-17","4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide","2025-10-22"],["HFS","1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE","C14 H17 N3 O3 S","O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3;Oc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3;c1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3","InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)","HYDROXYFASUDIL","2005-10-26","2020-06-17","5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol",""],["HFT","HYDROXYFLUTAMIDE","C11 H11 F3 N2 O4","FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C;CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O;CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O","InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)","2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE; HYDROXYNIPHTHOLIDE","2005-09-06","2020-06-17","2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide",""],["5YP","4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide","C24 H18 F N3 O4 S2","CC(=O)c1cccc(N[S](=O)(=O)c2ccc(cc2)C(=O)Nc3scc(n3)c4cccc(F)c4)c1;CC(=O)c1cccc(c1)NS(=O)(=O)c2ccc(cc2)C(=O)Nc3nc(cs3)c4cccc(c4)F","InChI=1S/C24H18FN3O4S2/c1-15(29)17-4-3-7-20(13-17)28-34(31,32)21-10-8-16(9-11-21)23(30)27-24-26-22(14-33-24)18-5-2-6-19(25)12-18/h2-14,28H,1H3,(H,26,27,30)","","2021-08-31","2023-03-03","4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide","2023-03-08"],["5YQ","2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid","C16 H13 N5 O2","OC(=O)c1ccnc(c1)c2ccnc(NCc3cccnc3)n2;c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O","InChI=1S/C16H13N5O2/c22-15(23)12-3-6-18-14(8-12)13-4-7-19-16(21-13)20-10-11-2-1-5-17-9-11/h1-9H,10H2,(H,22,23)(H,19,20,21)","","2015-09-08","2016-03-18","2-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carboxylic acid","2016-03-23"],["HFU","5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one","C28 H23 N3 O4 S","Cc1cc2n3C(=CNC(=O)c13)CN(C(=O)c4cccc5ccccc45)c6ccc(C[S](C)(=O)=O)cc26;Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6","InChI=1S/C28H23N3O4S/c1-17-12-25-23-13-18(16-36(2,34)35)10-11-24(23)30(15-20-14-29-27(32)26(17)31(20)25)28(33)22-9-5-7-19-6-3-4-8-21(19)22/h3-14H,15-16H2,1-2H3,(H,29,32)","","2021-01-05","2021-12-17","","2021-12-22"],["HFV","DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE","C14 H19 F6 N3 O6 S","O=C(NC(C(=O)O)C(C(F)(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS;N[CH](CCCC(=O)N[CH](CS)C(=O)N[CH](C(C(F)(F)F)C(F)(F)F)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NC(C(C(F)(F)F)C(F)(F)F)C(=O)O","InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1","","2005-06-09","2011-06-04","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-4,4,4,4',4',4'-hexafluoro-L-valine",""],["5YR","10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide","C32 H51 N O3 S","CCCN(C)C(=O)CCCCCCCCCSC1Cc2cc(O)ccc2C2CCC3(C)C(O)CCC3C21;CCCN(C)C(=O)CCCCCCCCCS[CH]1Cc2cc(O)ccc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]13;CCCN(C)C(=O)CCCCCCCCCSC1Cc2cc(ccc2C3C1C4CCC(C4(CC3)C)O)O","InChI=1S/C32H51NO3S/c1-4-19-33(3)30(36)12-10-8-6-5-7-9-11-20-37-28-22-23-21-24(34)13-14-25(23)26-17-18-32(2)27(31(26)28)15-16-29(32)35/h13-14,21,26-29,31,34-35H,4-12,15-20,22H2,1-3H3/t26-,27-,28+,29-,31+,32-/m0/s1","","2021-07-27","2022-07-01","10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide","2022-07-06"],["HFW","Dawson-type polyoxometalate","Hf O61 P2 W17","","","","2015-12-23","2017-01-06","","2017-01-11"],["5YS","~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide","C20 H25 N3 O2","COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3;CC(c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3","InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1","","2021-07-19","2022-07-22","~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide","2022-07-27"],["HFX","1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one","C9 H9 Cl O2 S2","C[S](=O)c1sc(Cl)c2CCCC(=O)c12;CS(=O)c1c2c(c(s1)Cl)CCCC2=O","InChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1","","2021-01-06","2021-11-19","1-chloranyl-3-methylsulfinyl-6,7-dihydro-5~{H}-2-benzothiophen-4-one","2021-11-24"],["5YT","2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid","C8 H10 N2 O2 S","Nc1sc(CCC=C)c(n1)C(O)=O;C=CCCc1c(nc(s1)N)C(=O)O","InChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12)","","2023-01-09","2023-10-27","2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid","2023-11-01"],["5YU","N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide","C21 H20 F N5 O2 S3","CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3ccsc3)c2F)c(s1)c1ccnc(N)n1;CC(C)(C)c1sc(c2ccnc(N)n2)c(n1)c3cccc(N[S](=O)(=O)c4cscc4)c3F;CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4","InChI=1S/C21H20FN5O2S3/c1-21(2,3)19-26-17(18(31-19)15-7-9-24-20(23)25-15)13-5-4-6-14(16(13)22)27-32(28,29)12-8-10-30-11-12/h4-11,27H,1-3H3,(H2,23,24,25)","","2021-07-27","2021-08-20","N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide","2021-08-25"],["HFY","8-{[(2-chlorophenyl)methyl]amino}adenosine","C17 H19 Cl N6 O4","OC4C(n2c(nc1c(N)ncnc12)NCc3ccccc3Cl)OC(CO)C4O;Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(NCc4ccccc4Cl)nc12;c1ccc(c(c1)CNc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N)Cl","InChI=1S/C17H19ClN6O4/c18-9-4-2-1-3-8(9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1","","2018-06-28","2019-06-28","8-{[(2-chlorophenyl)methyl]amino}adenosine","2019-07-03"],["HFZ","6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","C8 H8 F3 N3 O4 S2","FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N;N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F;c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F","InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)","","2009-08-10","2011-06-04","6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",""],["5YV","~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-cyclohexane-1-carboxamide","C21 H26 N2 O2","COc1cccc(c1)[CH](C)NC(=O)[CH]2CC[CH](CC2)c3ccncc3;CC(c1cccc(c1)OC)NC(=O)C2CCC(CC2)c3ccncc3","InChI=1S/C21H26N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-5,10-16,18H,6-9H2,1-2H3,(H,23,24)/t15-,16-,18-/m1/s1","","2021-07-19","2025-10-17","~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-cyclohexane-1-carboxamide","2025-10-22"],["HG","MERCURY (II) ION","Hg","[Hg+2];[Hg++];[Hg+2]","InChI=1S/Hg/q+2","","1999-07-08","2011-06-04","mercury",""],["5YW","N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide","C30 H26 N4 O3","CCCOc1ccc(NC(=O)C#Cc2ccccc2)cc1CNC(=O)c3ccc(cc3)c4ncccn4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4","InChI=1S/C30H26N4O3/c1-2-19-37-27-15-14-26(34-28(35)16-9-22-7-4-3-5-8-22)20-25(27)21-33-30(36)24-12-10-23(11-13-24)29-31-17-6-18-32-29/h3-8,10-15,17-18,20H,2,19,21H2,1H3,(H,33,36)(H,34,35)","","2022-02-04","2024-09-27","~{N}-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide","2022-04-13"],["HG0","N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide","C12 H17 N3 O3 S","CC(C)c1ccc(cc1[S](C)(=O)=O)C(=O)N=C(N)N;CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N","InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)","","2021-01-07","2021-06-18","~{N}-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide","2021-06-23"],["5YX","N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide","C26 H25 F3 N4 O4 S3","CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(s1)c1ccnc(CCS(C)(=O)=O)n1;CC(C)(C)c1sc(c2ccnc(CC[S](C)(=O)=O)n2)c(n1)c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F;CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F","InChI=1S/C26H25F3N4O4S3/c1-26(2,3)25-32-23(24(38-25)19-10-12-30-21(31-19)11-13-39(4,34)35)16-6-5-7-18(22(16)29)33-40(36,37)20-14-15(27)8-9-17(20)28/h5-10,12,14,33H,11,13H2,1-4H3","","2021-07-27","2021-08-20","N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide","2021-08-25"],["HG1","1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol","C18 H35 N O7","O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1;OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CCCC1CCCCC1;C1CCC(CC1)CCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O","InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1","C-HEGA-10","2013-10-16","2020-06-17","1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol","2013-12-11"],["5YY","ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate","C34 H39 N8 O6","CCOC(=O)CNC(=O)CN(Cc1ccc2nc(n(CC3CCOCC3)c2c1)C4=CN(C)C(=O)C(=C4)C)C(=O)c5ccc(cc5)N=[N+]=N;CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N","InChI=1S/C34H38N8O6/c1-4-48-31(44)17-36-30(43)21-41(34(46)25-6-8-27(9-7-25)38-39-35)18-24-5-10-28-29(16-24)42(19-23-11-13-47-14-12-23)32(37-28)26-15-22(2)33(45)40(3)20-26/h5-10,15-16,20,23,35H,4,11-14,17-19,21H2,1-3H3/p+1","","2021-07-20","2021-10-01","azanylidene-[4-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methyl-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]imino-azanium","2021-10-06"],["HG2","DIBROMOMERCURY","Br2 Hg","Br[Hg]Br;Br[Hg]Br;Br[Hg]Br","InChI=1S/2BrH.Hg/h2*1H;/q;;+2/p-2","","2004-09-20","2011-06-04","mercury dibromide",""],["5YZ","6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide","C26 H30 N8 O2","Cc1cc(CN2CCN(CC2)c3nc(Nc4cc([nH]n4)C5CC5)cc(n3)C(=O)NCC#C)ccc1O;Cc1cc(ccc1O)CN2CCN(CC2)c3nc(cc(n3)Nc4cc([nH]n4)C5CC5)C(=O)NCC#C","InChI=1S/C26H30N8O2/c1-3-8-27-25(36)21-15-23(29-24-14-20(31-32-24)19-5-6-19)30-26(28-21)34-11-9-33(10-12-34)16-18-4-7-22(35)17(2)13-18/h1,4,7,13-15,19,35H,5-6,8-12,16H2,2H3,(H,27,36)(H2,28,29,30,31,32)","","2021-08-31","2024-09-27","6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide","2022-06-08"],["5Z0","2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide","C21 H18 Cl N7 O S2","O=C(CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21)Nc1nncs1;Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4scnn4)N=C(c5ccc(Cl)cc5)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4nncs4)c5ccc(cc5)Cl)C","InChI=1S/C21H18ClN7OS2/c1-10-11(2)32-20-17(10)18(13-4-6-14(22)7-5-13)24-15(19-27-26-12(3)29(19)20)8-16(30)25-21-28-23-9-31-21/h4-7,9,15H,8H2,1-3H3,(H,25,28,30)/t15-/m0/s1","","2021-07-28","2022-07-29","2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide","2022-08-03"],["HG3","[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate","C3 H9 O7 P","OC(O)[CH](O)CO[P](O)(O)=O;C(C(C(O)O)O)OP(=O)(O)O","InChI=1S/C3H9O7P/c4-2(3(5)6)1-10-11(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-/m1/s1","","2016-08-11","2017-01-13","[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate","2017-01-18"],["5Z1","4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide","C50 H60 N6 O9","CN(CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c1ccc(cc1)C(=O)c2ccccc2)c3ccc4nc(n(CC5CCOCC5)c4c3)C6=CN(C)C(=O)C(=C6)C;CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6","InChI=1S/C50H60N6O9/c1-5-22-61-28-29-63-25-19-51-46(57)36-55(50(60)41-13-11-40(12-14-41)47(58)39-9-7-6-8-10-39)21-27-65-31-30-64-26-20-53(3)43-15-16-44-45(33-43)56(34-38-17-23-62-24-18-38)48(52-44)42-32-37(2)49(59)54(4)35-42/h1,6-16,32-33,35,38H,17-31,34,36H2,2-4H3,(H,51,57)","","2021-07-20","2021-10-01","~{N}-[2-[2-[2-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-methyl-amino]ethoxy]ethoxy]ethyl]-~{N}-[2-oxidanylidene-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethyl]-4-(phenylcarbonyl)benzamide","2021-10-06"],["HG4","1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}","C34 H38 N12 O4","c6(cc(C(Nc2n(c1c(cc(cc1)C(N)=O)n2)CCCCn5c(NC(c3n(CC)nc(c3)C)=O)nc4c5ccc(c4)C(=O)N)=O)n(CC)n6)C;CCn1nc(C)cc1C(=O)Nc2nc3cc(ccc3n2CCCCn4c(NC(=O)c5cc(C)nn5CC)nc6cc(ccc46)C(N)=O)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N","InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)","","2018-06-29","2018-11-02","1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}","2018-11-07"],["HG5","(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one","C30 H38 N6 O2","CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[CH](CC)N(Cc4ccccc4)c3n2)C5CCN(C)CC5;CCC1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C","InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1","","2018-12-05","2019-03-01","(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one","2019-03-06"],["5Z2","2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid","C9 H14 N2 O2 S","CCCCCc1sc(N)nc1C(O)=O;CCCCCc1c(nc(s1)N)C(=O)O","InChI=1S/C9H14N2O2S/c1-2-3-4-5-6-7(8(12)13)11-9(10)14-6/h2-5H2,1H3,(H2,10,11)(H,12,13)","","2023-01-09","2023-10-27","2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid","2023-11-01"],["HG6","4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid","C15 H7 Cl O4","OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1;c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O","InChI=1S/C15H7ClO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)","","2021-01-08","2021-10-08","4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid","2021-10-13"],["5Z3","6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione","C16 H14 Cl F3 N4 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(c(Cl)cc1)C(F)(F)F;FC(F)(F)c1cc(ccc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl","InChI=1S/C16H14ClF3N4O3/c17-11-2-1-9(7-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27)","","2021-07-28","2021-11-05","6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["HG7","(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide","C13 H21 N3 O2","CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1;CN(C)CCCNC(=O)C(c1cccc(c1)O)N","InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1","","2012-03-05","2024-09-27","(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide",""],["5Z4","ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate","C34 H35 F4 N8 O6","CCOC(=O)CNC(=O)CN(Cc1ccc2nc(n(CC3CCOCC3)c2c1)C4=CN(C)C(=O)C(=C4)C)C(=O)c5c(F)c(F)c(N=[N+]=N)c(F)c5F;CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F","InChI=1S/C34H34F4N8O6/c1-4-52-25(48)13-40-24(47)17-45(34(50)26-27(35)29(37)31(42-43-39)30(38)28(26)36)14-20-5-6-22-23(12-20)46(15-19-7-9-51-10-8-19)32(41-22)21-11-18(2)33(49)44(3)16-21/h5-6,11-12,16,19,39H,4,7-10,13-15,17H2,1-3H3/p+1","","2021-07-20","2021-10-01","azanylidene-[4-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methyl-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-2,3,5,6-tetrakis(fluoranyl)phenyl]imino-azanium","2021-10-06"],["HG8","(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one","C29 H38 N6 O2 S","CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[CH](CC)N(Cc4scc(C)c4)c3n2)C5CCN(C)CC5;CCC1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C","InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1","","2018-12-05","2019-03-01","(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one","2019-03-06"],["5Z5","5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE","C17 H16 Cl N3 O2","O=C(NC)c1c(c(nc1C)/C=C3/c2cc(Cl)ccc2NC3=O)C;CNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(Cl)cc23)c1C;Cc1c([nH]c(c1C(=O)NC)C)C=C2c3cc(ccc3NC2=O)Cl","InChI=1S/C17H16ClN3O2/c1-8-14(20-9(2)15(8)17(23)19-3)7-12-11-6-10(18)4-5-13(11)21-16(12)22/h4-7,20H,1-3H3,(H,19,23)(H,21,22)/b12-7-","","2006-04-25","2011-06-04","5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide",""],["HG9","1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL","C17 H35 N O7","O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CCCCCCCC;CCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO;CCCCCCCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O","InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1","HG9A-9; NONANOYL-N-HYDROXYETHYLGLUCAMIDE","2004-03-23","2020-05-27","6-deoxy-6-[(2-hydroxyethyl)(nonanoyl)amino]-D-allitol",""],["5Z6","4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid","C24 H28 O3","CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(O)=O;CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(=O)O","InChI=1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+","","2022-02-04","2023-01-20","4-[(~{E})-3-(3,5-di~{tert}-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid","2023-01-25"],["5Z7","6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","C15 H14 Br Cl N4 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Br)c(Cl)c1;Clc1cc(ccc1Br)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br","InChI=1S/C15H14BrClN4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)","","2021-07-28","2021-11-05","6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["HGA","GLUTAMINE HYDROXAMATE","C5 H10 N2 O4","O=C(NO)CCC(C(=O)O)N;N[CH](CCC(=O)NO)C(O)=O;C(CC(=O)NO)C(C(=O)O)N","InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","","1999-07-08","2024-09-27","N-hydroxy-L-glutamine",""],["HGB","4-(HYDROXYMERCURY)BENZOIC ACID","C7 H6 Hg O3","O=C(O)c1ccc([Hg]O)cc1;O[Hg]c1ccc(cc1)C(O)=O;c1cc(ccc1C(=O)O)[Hg]O","InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1","","1999-09-28","2011-06-04","(4-carboxyphenyl)(hydroxy)mercury",""],["5Z8","4-chloro-7-nitrobenzofurazan","C6 H2 Cl N3 O3","[O-][N+](=O)c1ccc(Cl)c2nonc12;c1cc(c2c(c1[N+](=O)[O-])non2)Cl","InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H","4-chloranyl-7-nitro-2,1,3-benzoxadiazole; NBD-Cl; 4-nitro-2,1,3-benzoxadiazole (post-reaction)","2021-07-20","2024-09-27","4-chloranyl-7-nitro-2,1,3-benzoxadiazole","2021-08-18"],["HGC","METHYL MERCURY ION","C H3 Hg","[Hg+]C;C[Hg+];C[Hg+]","InChI=1/CH3.Hg/h1H3;/q;+1/rCH3Hg/c1-2/h1H3/q+1","","1999-08-31","2008-10-14","methylmercury(1+)",""],["5Z9","(2R)-2-methyl-2-oxidanyl-butanenitrile","C5 H9 N O","CC[C](C)(O)C#N;CCC(C)(C#N)O","InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1","","2021-09-03","2022-02-04","(2~{R})-2-methyl-2-oxidanyl-butanenitrile","2022-02-09"],["5ZA","(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE","C17 H19 N5 O4","O=C1N(C(=N/C1=Cc3c2c(cccc2nc3)N)C(N)C(O)C)CC(=O)O;C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3cccc(N)c23)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2c[nH]c3c2c(ccc3)N)C(=O)N1CC(=O)O)N)O","InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1","","2003-04-22","2024-09-27","{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["HGD","mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)","C20 H32 Hg N6 O12 S2","O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N;N[CH](CCC(=O)N[CH](CS[Hg]SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h2*5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q;;+2/p-2/t2*5-,6-;/m00./s1","S-Mercury glutathione","2013-10-31","2020-06-17","mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)","2014-03-19"],["HGE","ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate","C12 H17 N3 O2","CCOC(=O)C1CCN(CC1)c2cnccn2;CCOC(=O)C1CCN(CC1)c2cnccn2","InChI=1S/C12H17N3O2/c1-2-17-12(16)10-3-7-15(8-4-10)11-9-13-5-6-14-11/h5-6,9-10H,2-4,7-8H2,1H3","","2018-12-05","2019-01-18","ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate","2019-01-23"],["5ZB","(2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide","C27 H26 N4 O2","CC(=O)N(c1ccc(cc1)n1cccc1)C(c1cccnc1)C(=O)NC(C)c1ccccc1;C[CH](NC(=O)[CH](N(C(C)=O)c1ccc(cc1)n2cccc2)c3cccnc3)c4ccccc4;CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C","InChI=1S/C27H26N4O2/c1-20(22-9-4-3-5-10-22)29-27(33)26(23-11-8-16-28-19-23)31(21(2)32)25-14-12-24(13-15-25)30-17-6-7-18-30/h3-20,26H,1-2H3,(H,29,33)/t20-,26+/m0/s1","","2021-07-29","2024-09-27","(2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide","2021-08-11"],["HGF","2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one","C22 H20 N4 O3","O=C2c1c3c(nc1CCN2)c5c(cc3)cnc(c4cc(OCCOC)cnc4)c5;COCCOc1cncc(c1)c2cc3c4[nH]c5CCNC(=O)c5c4ccc3cn2;COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2","InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)","","2010-03-17","2011-06-04","2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one",""],["5ZD","2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid","C10 H16 N2 O2 S","CCCCCCc1sc(N)nc1C(O)=O;CCCCCCc1c(nc(s1)N)C(=O)O","InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14)","","2023-01-10","2023-10-27","2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid","2023-11-01"],["5ZE","4,6-dimethylpyrimidin-2-amine","C6 H9 N3","n1c(cc(nc1N)C)C;Cc1cc(C)nc(N)n1;Cc1cc(nc(n1)N)C","InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)","","2013-07-30","2014-02-21","4,6-dimethylpyrimidin-2-amine","2014-02-26"],["HGG","(3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide","C26 H42 N7 O20 P3 S","O=C(O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[CH](O)CC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CC(=O)O)O)O","InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14+,19+,20+,21-,25+/m0/s1","3-Hydroxyl Glutaryl CoA","2010-04-29","2021-03-01","(3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)",""],["HGH","2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid","C13 H11 N5 O3","Nc1nc2[nH]cnc2c(Oc3cccc(CC(O)=O)c3)n1;c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O","InChI=1S/C13H11N5O3/c14-13-17-11-10(15-6-16-11)12(18-13)21-8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18)","","2018-12-06","2019-03-15","2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid","2019-03-20"],["5ZF","N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide","C29 H26 Cl N3 O2","CC(NC(=O)C(N(C(=O)CCl)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1;C[CH](NC(=O)[CH](N(C(=O)CCl)c1ccc(cc1)c2ccccc2)c3cccnc3)c4ccccc4;CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl","InChI=1S/C29H26ClN3O2/c1-21(22-9-4-2-5-10-22)32-29(35)28(25-13-8-18-31-20-25)33(27(34)19-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-18,20-21,28H,19H2,1H3,(H,32,35)/t21-,28+/m0/s1","","2021-07-29","2024-09-27","N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide","2021-09-08"],["HGI","MERCURY (II) IODIDE","Hg I2","I[Hg]I;I[Hg]I;I[Hg]I","InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2","MERCURY DIIODIDE","2001-06-20","2021-03-01","mercury diiodide",""],["5ZG","ethyl-4-methylbenzylphosphonate","C10 H15 O3 P","CCO[P](O)(=O)Cc1ccc(C)cc1;CCOP(=O)(Cc1ccc(cc1)C)O","InChI=1S/C10H15O3P/c1-3-13-14(11,12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)","","2021-07-21","2022-07-29","ethoxy-[(4-methylphenyl)methyl]phosphinic acid","2022-08-03"],["HGJ","2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide","C23 H24 N6 O3","c1c3c(cc(c1)C(N)=O)nc(NC(c2cc(nn2CC)C)=O)n3CC(O)c4ccccc4;CCn1nc(C)cc1C(=O)Nc2nc3cc(ccc3n2C[CH](O)c4ccccc4)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CC(c4ccccc4)O)C(=O)N","InChI=1S/C23H24N6O3/c1-3-29-19(11-14(2)27-29)22(32)26-23-25-17-12-16(21(24)31)9-10-18(17)28(23)13-20(30)15-7-5-4-6-8-15/h4-12,20,30H,3,13H2,1-2H3,(H2,24,31)(H,25,26,32)/t20-/m0/s1","","2018-06-29","2018-11-02","2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide","2018-11-07"],["5ZH","8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one","C26 H22 F3 N7 O2","COc1ccc(cn1)c2ccc3NC(=O)c4nnn(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2;COc1ccc(cn1)c2ccc3c(c2)-c4c(nnn4c5ccc(c(c5)C(F)(F)F)N6CCNCC6)C(=O)N3","InChI=1S/C26H22F3N7O2/c1-38-22-7-3-16(14-31-22)15-2-5-20-18(12-15)24-23(25(37)32-20)33-34-36(24)17-4-6-21(19(13-17)26(27,28)29)35-10-8-30-9-11-35/h2-7,12-14,30H,8-11H2,1H3,(H,32,37)","","2021-09-03","2022-07-01","8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5~{H}-[1,2,3]triazolo[4,5-c]quinolin-4-one","2022-07-06"],["5ZI","4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide","C27 H21 N5 O3","O=C(CCC1=Nc2ccccc2C(=O)N1)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45;c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5","InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)","","2015-12-01","2016-12-09","4-[3-(4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-N-quinolin-8-yl-benzamide","2016-12-14"],["HGK","2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid","C13 H11 N O4","OC(=O)Cc1ccc(OC2=CC=NC(=O)C2)cc1;c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2","InChI=1S/C13H11NO4/c15-12-8-11(5-6-14-12)18-10-3-1-9(2-4-10)7-13(16)17/h1-6H,7-8H2,(H,16,17)","","2018-12-06","2019-03-15","2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid","2019-03-20"],["HGL","(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid","C9 H12 N6 O3","O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N;N[CH](CCn1cnc2C(=O)NC(=Nc12)N)C(O)=O;c1nc2c(n1CCC(C(=O)O)N)N=C(NC2=O)N","InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1","","2008-02-12","2024-09-27","(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid",""],["5ZJ","6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione","C16 H14 Cl F3 N4 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(c(Cl)c1)C(F)(F)F;FC(F)(F)c1ccc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F","InChI=1S/C16H14ClF3N4O3/c17-11-7-9(1-2-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27)","","2021-07-29","2021-11-05","6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["5ZK","~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C7 H9 N5","CNc1ncnc2c(C)n[nH]c12;Cc1c2c(c(ncn2)NC)[nH]n1","InChI=1S/C7H9N5/c1-4-5-6(12-11-4)7(8-2)10-3-9-5/h3H,1-2H3,(H,11,12)(H,8,9,10)","","2021-07-21","2021-10-15","~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2021-10-20"],["HGM","(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid","C9 H11 N O3","CN[CH](C(O)=O)c1ccc(O)cc1;CNC(c1ccc(cc1)O)C(=O)O","InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m1/s1","","2012-03-05","2024-09-27","(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid",""],["5ZL","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C9 H17 N2 O18 P4","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[n+]2ccc(O[P](O)(O)=O)nc2O;c1c[n+](c(nc1OP(=O)(O)O)O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H16N2O18P4/c12-6-4(3-25-32(21,22)29-33(23,24)28-31(18,19)20)26-8(7(6)13)11-2-1-5(10-9(11)14)27-30(15,16)17/h1-2,4,6-8,12-13H,3H2,(H6,15,16,17,18,19,20,21,22,23,24)/p+1/t4-,6-,7-,8-/m1/s1","","2021-09-07","2021-09-10","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-ium-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2021-09-15"],["HGN","mercuriomercury","Hg2","[Hg].[Hg];[Hg][Hg]","InChI=1S/2Hg","","2017-12-14","2018-02-02","mercuriomercury","2018-02-07"],["HGP","(1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE","C38 H77 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC","InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1","","2004-02-13","2011-06-04","(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide",""],["5ZM","5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE","C16 H14 F N O","CC1(C)C(=O)Nc2ccc(cc12)c3ccc(F)cc3;CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C","InChI=1S/C16H14FNO/c1-16(2)13-9-11(5-8-14(13)18-15(16)19)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H,18,19)","","2015-03-08","2015-05-08","5-(4-fluorophenyl)-3,3-dimethyl-1H-indol-2-one","2015-05-13"],["5ZN","2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde","C16 H15 Cl N4 O4","O=C(C=1CC(=O)NC(=O)N=1)N1CCN(CC1)c1ccc(C=O)c(Cl)c1;Clc1cc(ccc1C=O)N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3;c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O","InChI=1S/C16H15ClN4O4/c17-12-7-11(2-1-10(12)9-22)20-3-5-21(6-4-20)15(24)13-8-14(23)19-16(25)18-13/h1-2,7,9H,3-6,8H2,(H,19,23,25)","","2021-07-29","2021-11-05","2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde","2021-11-10"],["HGQ","4-bromanyl-1~{H}-pyridin-2-one","C5 H4 Br N O","BrC1=CC(=O)NC=C1;C1=CNC(=O)C=C1Br","InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)","","2018-12-06","2019-03-15","4-bromanyl-1~{H}-pyridin-2-one","2019-03-20"],["HGR","Hygromycin A","C23 H29 N O12","C=1C(=O)C(=CCC=1[C@H]=C(C(NC3C(O)C(C2C(OCO2)C3O)O)=O)C)OC4OC(C(O)C4O)C(C)=O;CC(=O)[CH]1O[CH](OC2=CCC(=CC2=O)C=C(C)C(=O)N[CH]3[CH](O)[CH](O)[CH]4OCO[CH]4[CH]3O)[CH](O)[CH]1O;CC(=CC1=CC(=O)C(=CC1)OC2C(C(C(O2)C(=O)C)O)O)C(=O)NC3C(C(C4C(C3O)OCO4)O)O","InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h4-6,13-21,23,27-31H,3,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1","","2015-09-08","2015-11-06","(2E)-3-{4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-oxocyclohexa-1,4-dien-1-yl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]prop-2-enamide","2015-11-11"],["5ZO","(~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid","C18 H15 N O3 S","COc1ccc(cc1)C=C(CC(O)=O)c2sc3ccccc3n2;COc1ccc(cc1)C=C(CC(=O)O)c2nc3ccccc3s2","InChI=1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+","","2022-02-07","2022-04-08","(~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid","2022-04-13"],["5ZP","(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide","C31 H33 N5 O2","CC(C)[CH](CC(=O)N[CH](C)c1ccccc1)c2oc(nn2)c3cc4c([nH]c5c(cccc45)C6CC6)nc3C;Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)C(CC(=O)NC(C)c6ccccc6)C(C)C","InChI=1S/C31H33N5O2/c1-17(2)24(16-27(37)32-18(3)20-9-6-5-7-10-20)30-35-36-31(38-30)25-15-26-23-12-8-11-22(21-13-14-21)28(23)34-29(26)33-19(25)4/h5-12,15,17-18,21,24H,13-14,16H2,1-4H3,(H,32,37)(H,33,34)/t18-,24+/m1/s1","","2021-09-07","2022-02-11","(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide","2022-02-16"],["HGS","D-gamma-glutamyl-L-cysteinyl-beta-alanine","C11 H19 N3 O6 S","N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O;C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N","InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7+/m1/s1","","2009-11-17","2011-06-04","(2R)-2-azanyl-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid",""],["HGT","(2-((2R,3S,4R,5S,6S)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YLAMINO)ETHOXY)STANNANETRIOL","C8 H20 N2 O8 Sn","O[Sn](O)(O)OCCNC1OC(C(O)C(O)C1N)CO;N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NCCO[Sn](O)(O)O;C(CO[Sn](O)(O)O)NC1C(C(C(C(O1)CO)O)O)N","InChI=1S/C8H17N2O5.3H2O.Sn/c9-5-7(14)6(13)4(3-12)15-8(5)10-1-2-11;;;;/h4-8,10,12-14H,1-3,9H2;3*1H2;/q-1;;;;+4/p-3/t4-,5-,6+,7+,8+;;;;/m0..../s1","","2005-12-01","2011-06-04","2-amino-2-deoxy-N-{2-[(trihydroxystannanyl)oxy]ethyl}-alpha-L-gulopyranosylamine",""],["5ZQ","2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide","C25 H23 Cl N6 O S","Clc1ccc(cc1)C1=NC(CC(=O)NCc2ccccn2)c2nnc(C)n2c2sc(C)c(C)c21;Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccccn4)N=C(c5ccc(Cl)cc5)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccccn4)c5ccc(cc5)Cl)C","InChI=1S/C25H23ClN6OS/c1-14-15(2)34-25-22(14)23(17-7-9-18(26)10-8-17)29-20(24-31-30-16(3)32(24)25)12-21(33)28-13-19-6-4-5-11-27-19/h4-11,20H,12-13H2,1-3H3,(H,28,33)/t20-/m0/s1","","2021-07-29","2022-07-29","2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide","2022-08-03"],["HGU","N-HYDROXYGUANIDINE","C H5 N3 O","[N@H]=C(N)NO;NC(=N)NO;C(=N)(N)NO","InChI=1S/CH5N3O/c2-1(3)4-5/h5H,(H4,2,3,4)","","1999-12-02","2011-06-04","1-hydroxyguanidine",""],["5ZR","2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid","C11 H18 N2 O2 S","CCCCCCCc1sc(N)nc1C(O)=O;CCCCCCCc1c(nc(s1)N)C(=O)O","InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)","","2023-01-10","2023-10-27","2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid","2023-11-01"],["HGV","2'-deoxy-5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine","C12 H20 N5 O11 P3","P(=O)(O)(OP(O)(C(C)P(O)(O)=O)=O)OCC3OC(n1cnc2c1ncnc2N)CC3O;C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23;CC(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2ncnc3N)O","InChI=1S/C12H20N5O11P3/c1-6(29(19,20)21)30(22,23)28-31(24,25)26-3-8-7(18)2-9(27-8)17-5-16-10-11(13)14-4-15-12(10)17/h4-9,18H,2-3H2,1H3,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t6-,7-,8+,9+/m0/s1","","2018-07-02","2018-08-17","2'-deoxy-5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine","2018-08-22"],["5ZS","(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid","C13 H22 N2 O7","O[CH](CCN[CH](CCN1CCC[CH]1C(O)=O)C(O)=O)C(O)=O;C1CC(N(C1)CCC(C(=O)O)NCCC(C(=O)O)O)C(=O)O","InChI=1S/C13H22N2O7/c16-10(13(21)22)3-5-14-8(11(17)18)4-7-15-6-1-2-9(15)12(19)20/h8-10,14,16H,1-7H2,(H,17,18)(H,19,20)(H,21,22)/t8-,9-,10-/m0/s1","","2022-02-08","2022-11-25","(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid","2022-11-30"],["HGW","5-iodanylpyrimidine","C4 H3 I N2","Ic1cncnc1;c1c(cncn1)I","InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H","","2018-12-06","2024-09-27","5-iodanylpyrimidine","2019-03-20"],["5ZT","6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione","C16 H17 Cl N4 O4","O=C(C=1CC(=O)NC(=O)N=1)N1CCN(CC1)c1ccc(CO)c(Cl)c1;OCc1ccc(cc1Cl)N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3;c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO","InChI=1S/C16H17ClN4O4/c17-12-7-11(2-1-10(12)9-22)20-3-5-21(6-4-20)15(24)13-8-14(23)19-16(25)18-13/h1-2,7,22H,3-6,8-9H2,(H,19,23,25)","","2021-07-30","2021-11-05","6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione","2021-11-10"],["HGX","1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE","C38 H77 N O8 P","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C","InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1","","2004-10-06","2011-06-04","(7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(tridecanoyloxy)methyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium 4-oxide",""],["5ZU","2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid","C9 H8 N2 O2 S2","Nc1sc(Cc2sccc2)c(n1)C(O)=O;c1cc(sc1)Cc2c(nc(s2)N)C(=O)O","InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13)","","2023-01-10","2023-10-27","2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid","2023-11-01"],["5ZV","[[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C21 H27 F N7 O13 P2","NC(=O)c1ccc[n](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)[N]5=CC=CC(=C5)C(=O)N)F)O)O)O)N","InChI=1S/C21H27FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t10-,11-,12+,14-,15-,16-,20-,21-/m1/s1","","2022-02-10","2023-01-20","[[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2023-01-25"],["HGY","(2S)-amino(hydroxy)ethanoic acid","C2 H5 N O3","O=C(O)C(O)N;N[CH](O)C(O)=O;C(C(=O)O)(N)O","InChI=1S/C2H5NO3/c3-1(4)2(5)6/h1,4H,3H2,(H,5,6)/t1-/m0/s1","2-hydroxyglycine","2014-04-10","2024-09-27","(2S)-amino(hydroxy)ethanoic acid","2014-07-23"],["HGZ","6,7,8-trimethoxy-4-methylquinolin-2(1H)-one","C13 H15 N O4","O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2)C;COc1cc2C(=CC(=O)Nc2c(OC)c1OC)C;CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC","InChI=1S/C13H15NO4/c1-7-5-10(15)14-11-8(7)6-9(16-2)12(17-3)13(11)18-4/h5-6H,1-4H3,(H,14,15)","","2010-06-29","2012-01-06","6,7,8-trimethoxy-4-methylquinolin-2(1H)-one",""],["5ZW","6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","C15 H15 Cl N4 O3","O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Cl)cc1;Clc1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3;c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl","InChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23)","","2021-07-30","2021-11-05","6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione","2021-11-10"],["5ZX","2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid","C12 H12 N2 O2 S","Nc1sc(CCc2ccccc2)c(n1)C(O)=O;c1ccc(cc1)CCc2c(nc(s2)N)C(=O)O","InChI=1S/C12H12N2O2S/c13-12-14-10(11(15)16)9(17-12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)(H,15,16)","","2023-01-10","2023-10-27","2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid","2023-11-01"],["HH0","methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate","C36 H60 N5 O10 P","O=C(OC)C(NC(=O)C(NC(=O)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)Cc1ccccc1)C)C;COC(=O)[CH](C)NC(=O)[CH](C)NC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](NC(=O)CC(C)C)C(C)C)C(C)C;CC(C)CC(NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)P(=O)(O)OC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(C)C(=O)OC","InChI=1S/C36H60N5O10P/c1-20(2)17-28(42)39-30(22(5)6)35(46)41-31(23(7)8)34(45)40-29(18-21(3)4)52(48,49)51-27(19-26-15-13-12-14-16-26)33(44)37-24(9)32(43)38-25(10)36(47)50-11/h12-16,20-25,27,29-31H,17-19H2,1-11H3,(H,37,44)(H,38,43)(H,39,42)(H,40,45)(H,41,46)(H,48,49)/t24-,25-,27-,29+,30-,31-/m0/s1","IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME","2010-11-02","2021-03-01","methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate",""],["5ZY","[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C21 H32 N8 O14 P2","N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)N(C(=N)O5)CCCC(C=O)N)O)O)O)N","InChI=1S/C21H32N8O14P2/c22-9(4-30)2-1-3-28-20-16(42-21(28)24)14(32)11(41-20)6-39-45(36,37)43-44(34,35)38-5-10-13(31)15(33)19(40-10)29-8-27-12-17(23)25-7-26-18(12)29/h4,7-11,13-16,19-20,24,31-33H,1-3,5-6,22H2,(H,34,35)(H,36,37)(H2,23,25,26)/b24-21-/t9-,10-,11-,13-,14-,15-,16-,19-,20+/m1/s1","","2022-02-10","2023-01-20","[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2023-01-25"],["HH1","(3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE","C37 H41 N3 O6","O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(CC(=O)N)C5)Cc6ccccc6;NC(=O)C[CH]1C[CH](C2=CN[C](C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CCOC4)(Cc5ccccc5)C2=O)c6ccccc16;c1ccc(cc1)CC(C(CC2(C(=O)C(=CN2)C3CC(c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6","InChI=1S/C37H41N3O6/c38-34(42)19-26-18-30(29-14-8-7-13-28(26)29)31-22-39-37(35(31)43,20-25-11-5-2-6-12-25)21-33(41)32(17-24-9-3-1-4-10-24)40-36(44)46-27-15-16-45-23-27/h1-14,22,26-27,30,32-33,39,41H,15-21,23H2,(H2,38,42)(H,40,44)/t26-,27+,30-,32+,33+,37+/m1/s1","(S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE","2005-10-19","2021-03-13","(3S)-tetrahydrofuran-3-yl [(1S,2S)-3-{(2S)-4-[(1R,3R)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-1-benzyl-2-hydroxypropyl]carbamate",""],["HH2","6-HYDROXYMETHYLPTERIN-DIPHOSPHATE","C7 H9 N5 O8 P2","O=P(O)(O)OP(=O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N;NC1=Nc2ncc(CO[P](O)(=O)O[P](O)(O)=O)nc2C(=O)N1;c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)","[PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE","2000-12-21","2021-03-01","(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl trihydrogen diphosphate",""],["5ZZ","(2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid","C8 H13 N O4 S","CC1(C)S[C](C)(N[CH]1C(O)=O)C(O)=O;CC1(C(NC(S1)(C)C(=O)O)C(=O)O)C","InChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1","","2016-01-06","2016-04-01","(2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid","2016-04-06"],["600","6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID","C43 H42 F2 N4 O7 P2","O=P(O)(O)c1c7nc(ccc7cc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O)C(OC)CC(C)C;CO[CH](CC(C)C)c1ccc2cc(cc(c2n1)[P](O)(O)=O)c3ccc(C[C](Cc4ccc(cc4)C(F)(F)[P](O)(O)=O)(n5nnc6ccccc56)c7ccccc7)cc3;CC(C)CC(c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)CC(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC","InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)/t39-,42+/m0/s1","","2003-08-19","2011-06-04","(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-[(1S)-1-methoxy-3-methylbutyl]quinolin-8-yl)phosphonic acid",""],["HH3","(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid","C9 H9 N O4","O=C(NC(O)C(=O)O)c1ccccc1;O[CH](NC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NC(C(=O)O)O","InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1","alpha-hydroxyhippuric acid","2009-01-26","2020-06-17","(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid",""],["HH4","4-(4-tert-butylphenyl)-4-oxobutanoic acid","C14 H18 O3","c1(ccc(C(CCC(O)=O)=O)cc1)C(C)(C)C;CC(C)(C)c1ccc(cc1)C(=O)CCC(O)=O;CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O","InChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)","","2018-07-02","2018-07-13","4-(4-tert-butylphenyl)-4-oxobutanoic acid","2018-07-18"],["601","4-(dimethylamino)benzohydrazide","C9 H13 N3 O","CN(C)c1ccc(cc1)C(=O)NN;CN(C)c1ccc(cc1)C(=O)NN","InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)","","2016-01-06","2017-01-06","4-(dimethylamino)benzohydrazide","2017-01-11"],["HH5","6-iodanyl-7~{H}-purin-2-amine","C5 H4 I N5","Nc1nc(I)c2[nH]cnc2n1;c1[nH]c2c(n1)nc(nc2I)N","InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)","","2018-12-06","2019-03-15","6-iodanyl-7~{H}-purin-2-amine","2019-03-20"],["602","[[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate","C11 H19 N5 O7 S","O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)C2CNC2;C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2","InChI=1S/C11H19N5O7S/c17-6-16-5-8(15-23-24(20,21)22)1-2-9(16)11(19)14-13-10(18)7-3-12-4-7/h6-9,12,15H,1-5H2,(H,13,18)(H,14,19)(H,20,21,22)/t8-,9+/m1/s1","","2015-12-14","2024-09-27","[[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate","2016-01-20"],["HH6","3-(4-hydroxyphenyl)-1H-indazol-6-ol","C13 H10 N2 O2","n2c(c1ccc(O)cc1n2)c3ccc(O)cc3;Oc1ccc(cc1)c2n[nH]c3cc(O)ccc23;c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O","InChI=1S/C13H10N2O2/c16-9-3-1-8(2-4-9)13-11-6-5-10(17)7-12(11)14-15-13/h1-7,16-17H,(H,14,15)","","2012-04-04","2012-06-22","3-(4-hydroxyphenyl)-1H-indazol-6-ol",""],["603","~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide","C26 H25 N3 O7 S","O[CH]1O[CH](CN[S](=O)(=O)c2ccc(cc2)C#N)[CH](O)[CH](O)[CH]1NC(=O)c3cccc(c3)c4ccccc4;c1ccc(cc1)c2cccc(c2)C(=O)NC3C(C(C(OC3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O","InChI=1S/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26+/m1/s1","","2016-01-07","2016-03-25","~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide","2016-03-30"],["HH7","N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine","C12 H13 Cl2 N3 O","N(CCCOc1c(cc(Cl)cc1)Cl)c2nccn2;Clc1ccc(OCCCNc2[nH]ccn2)c(Cl)c1;c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2","InChI=1S/C12H13Cl2N3O/c13-9-2-3-11(10(14)8-9)18-7-1-4-15-12-16-5-6-17-12/h2-3,5-6,8H,1,4,7H2,(H2,15,16,17)","","2018-07-02","2019-03-08","N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine","2019-03-13"],["604","2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos\ne","C19 H21 Br N2 O10 S","Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O;Cc1c(cc(o1)S(=O)(=O)NCC2C(C(C(C(O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O","InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1","5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m\nethyl-furan-3-carboxylic acid;\n2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucose;\n2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-D-glucose;\n2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-glucose","2016-01-07","2020-07-17","5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m\nethyl-furan-3-carboxylic acid","2016-03-30"],["605","4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide","C21 H18 F2 N2 O","Fc1ccc(F)cc1CC(c3ccc(c2cc(C(=O)N)ccc2)cc3)N;N[CH](Cc1cc(F)ccc1F)c2ccc(cc2)c3cccc(c3)C(N)=O;c1cc(cc(c1)C(=O)N)c2ccc(cc2)C(Cc3cc(ccc3F)F)N","InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1","","2008-05-16","2011-06-04","4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide",""],["HH8","4-bromanyl-1,8-naphthyridine","C8 H5 Br N2","Brc1ccnc2ncccc12;c1cc2c(ccnc2nc1)Br","InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H","","2018-12-06","2019-03-15","4-bromanyl-1,8-naphthyridine","2019-03-20"],["HH9","4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid","C14 H7 Cl O4","OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1;c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O","InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18)","","2021-01-08","2021-10-08","4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid","2021-10-13"],["606","(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID","C19 H24 N3 O4 P","O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CP(=O)(O)CCCc2ccccc2;NC(=N)Nc1cccc(c1)[CH](C[P](O)(=O)CCCc2ccccc2)C(O)=O;[H]N=C(N)Nc1cccc(c1)C(CP(=O)(CCCc2ccccc2)O)C(=O)O","InChI=1S/C19H24N3O4P/c20-19(21)22-16-10-4-9-15(12-16)17(18(23)24)13-27(25,26)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17H,5,8,11,13H2,(H,23,24)(H,25,26)(H4,20,21,22)/t17-/m0/s1","","2007-04-20","2011-06-04","(2S)-2-(3-carbamimidamidophenyl)-3-[(S)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid",""],["HHA","(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID","C7 H9 N O3","O=C(O)C1=CC=CC(O)C1N;N[CH]1[CH](O)C=CC=C1C(O)=O;C1=CC(C(C(=C1)C(=O)O)N)O","InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1","","2004-08-17","2011-06-04","(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid",""],["607","2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE","C24 H19 N5 O5","[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3N)c4;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3cc(cc(c3[O-])c4ccccc4N)[CH](CC([O-])=O)C([O-])=O;c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)C(CC(=O)[O-])C(=O)[O-])N","InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1","CRA_18607","2003-03-14","2021-03-01","(2R)-2-(2'-amino-5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-oxidobiphenyl-3-yl)butanedioate",""],["608","N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide","C24 H20 N4 O2","O=C(c2cccnc2NCc1ccncc1)Nc4ccc(Oc3ccccc3)cc4;O=C(Nc1ccc(Oc2ccccc2)cc1)c3cccnc3NCc4ccncc4;c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4","InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29)","","2007-07-16","2011-06-04","N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide",""],["HHB","2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid","C12 H11 N3 O2","OC(=O)Cc1cccc(Nc2ccncn2)c1;c1cc(cc(c1)Nc2ccncn2)CC(=O)O","InChI=1S/C12H11N3O2/c16-12(17)7-9-2-1-3-10(6-9)15-11-4-5-13-8-14-11/h1-6,8H,7H2,(H,16,17)(H,13,14,15)","","2018-12-06","2019-03-15","2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid","2019-03-20"],["HHC","~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide","C13 H15 N5 O4 S","N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O;c1cnc(cc1C(=O)NCC(C(=O)N)N)C2=NC(CS2)C(=O)O","InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1","","2021-01-12","2024-09-27","(4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2021-04-14"],["609","7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid","C19 H10 N2 O3","O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5;OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25;c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O","InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)","","2008-11-04","2011-06-04","7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3-carboxylic acid",""],["HHD","(3S)-3-HYDROXYHEPTANEDIOIC ACID","C7 H12 O5","O=C(O)CC(O)CCCC(=O)O;O[CH](CCCC(O)=O)CC(O)=O;C(CC(CC(=O)O)O)CC(=O)O","InChI=1S/C7H12O5/c8-5(4-7(11)12)2-1-3-6(9)10/h5,8H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1","","2014-10-22","2016-01-15","(3S)-3-hydroxyheptanedioic acid","2016-01-20"],["60A","2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol","C6 H14 O4","C[CH](COCCO)OCO;CC(COCCO)OCO","InChI=1S/C6H14O4/c1-6(10-5-8)4-9-3-2-7/h6-8H,2-5H2,1H3/t6-/m1/s1","","2016-01-07","2016-03-11","2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol","2016-03-16"],["HHE","(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide","C30 H45 Cl N4 O4","O=C(NC3C2CC1CC3CC(O)(C1)C2)C(CC)CC(O)C(N)CN4C(CN(C(=O)C4)c5ccccc5Cl)(C)C;CC[CH](C[CH](O)[CH](N)CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)C(=O)NC3[CH]4CC5C[CH]3CC(O)(C5)C4;CCC(CC(C(CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3C4CC5CC3CC(C5)(C4)O","InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18-,19-,20-,21+,23+,25+,27-,30-/m1/s1","","2012-07-10","2013-05-10","(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide (non-preferred name)","2013-05-15"],["60B","~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine","C20 H22 N8 O2 S","CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)cc12;Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5","InChI=1S/C20H22N8O2S/c1-12(2)28-13(3)24-16-10-22-19(8-17(16)28)25-18-6-7-21-20(26-18)14-9-23-27(11-14)31(29,30)15-4-5-15/h6-12,15H,4-5H2,1-3H3,(H,21,22,25,26)","","2016-01-07","2016-09-02","~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine","2016-09-07"],["HHF","3,7-dihydroxy-2-phenyl-4H-chromen-4-one","C15 H10 O4","O=C1c3c(OC(=C1O)c2ccccc2)cc(O)cc3;Oc1ccc2C(=O)C(=C(Oc2c1)c3ccccc3)O;c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O","InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H","","2012-06-12","2013-06-28","3,7-dihydroxy-2-phenyl-4H-chromen-4-one","2013-07-03"],["60C","(C_{60}-I_{h})[5,6]fullerene","C60","c12c3C4=C5c1c6c7c8c2c9c%10c3C%11=C%12c%10c%13c%14c9c8c%15c%16c7C%17=C6C%18=C5c%19c%20C4=C%11c%21c%20c%22c%23c%19c%18c%24C%17=C%25C%16=C%26c%15c%14C%27=C%13C%28=C%12c%21c%29c%22c%30c%23c%24c%25c%31C%26=C%27c(c%28%29)c%30%31;c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23","InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59","buckminsterfullerene, buckyball","2015-11-18","2020-06-17","(C_{60}-I_{h})[5,6]fullerene","2016-05-04"],["HHG","(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE","C9 H19 O7 P","O=P(O)(O)OCC(O)COC(=O)CCCCC;CCCCCC(=O)OC[CH](O)CO[P](O)(O)=O;CCCCCC(=O)OCC(COP(=O)(O)O)O","InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1","1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE","2005-01-05","2020-06-17","(2S)-2-hydroxy-3-(phosphonooxy)propyl hexanoate",""],["60D","6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide","C26 H30 N8 O4 S","CC(C)n1cc(C(=O)NC2CCOCC2)c3cnc(Nc4ccnc(n4)c5cnn(c5)[S](=O)(=O)C6CC6)cc13;CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6","InChI=1S/C26H30N8O4S/c1-16(2)33-15-21(26(35)30-18-6-9-38-10-7-18)20-13-28-24(11-22(20)33)31-23-5-8-27-25(32-23)17-12-29-34(14-17)39(36,37)19-3-4-19/h5,8,11-16,18-19H,3-4,6-7,9-10H2,1-2H3,(H,30,35)(H,27,28,31,32)","","2016-01-07","2016-09-02","6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide","2016-09-07"],["60E","2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol","C26 H33 N9 O3 S","CC[CH](C)n1nc(N2CC(C2)C(C)(C)O)c3cnc(Nc4ccnc(n4)c5cnn(c5)[S](=O)(=O)C6CC6)cc13;CCC(C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6","InChI=1S/C26H33N9O3S/c1-5-16(2)35-21-10-23(28-12-20(21)25(32-35)33-14-18(15-33)26(3,4)36)30-22-8-9-27-24(31-22)17-11-29-34(13-17)39(37,38)19-6-7-19/h8-13,16,18-19,36H,5-7,14-15H2,1-4H3,(H,27,28,30,31)/t16-/m0/s1","","2016-01-07","2016-09-02","2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol","2016-09-07"],["HHH","(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid","C8 H8 O4","O=C(O)C(O)c1ccc(O)cc1;O[CH](C(O)=O)c1ccc(O)cc1;c1cc(ccc1C(C(=O)O)O)O","InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1","","2007-12-28","2011-06-04","(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid",""],["HHI","(2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid","C6 H7 N3 O2","O=C(O)C(=[N@H])Cc1cncn1;OC(=O)C(=N)Cc1[nH]cnc1;c1c([nH]cn1)CC(=N)C(=O)O","InChI=1S/C6H7N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,7H,1H2,(H,8,9)(H,10,11)/b7-5+","","2010-07-20","2011-06-04","(2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid",""],["60F","(2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid","C12 H13 N O4 S","N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1C=CC(=O)SCC(C(=O)O)N)O","InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1","","2016-01-07","2024-09-27","(2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid","2016-05-18"],["HHJ","5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine","C21 H23 N7 O6","O=C5N=C(N)Nc1c5ncn1C2OC(C(O)C2O)COC(=O)NCCc4c3ccccc3nc4;NC1=NC(=O)c2ncn([CH]3O[CH](COC(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O)c2N1;c1ccc2c(c1)c(c[nH]2)CCNC(=O)OCC3C(C(C(O3)n4cnc5c4NC(=NC5=O)N)O)O","InChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1","","2014-07-29","2019-09-13","5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine","2019-09-18"],["60G","methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate","C16 H18 N4 O7 S","COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2;COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC","InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)","Bensulfuron methyl","2016-01-07","2021-03-01","methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate","2016-03-16"],["60H","(2~{S})-2-(diphenylmethyl)pyrrolidine","C17 H19 N","C1CN[CH](C1)C(c2ccccc2)c3ccccc3;c1ccc(cc1)C(c2ccccc2)C3CCCN3","InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1","","2016-01-08","2024-09-27","(2~{S})-2-(diphenylmethyl)pyrrolidine","2016-01-27"],["HHK","(2S)-2,8-DIAMINOOCTANOIC ACID","C8 H18 N2 O2","O=C(O)C(N)CCCCCCN;NCCCCCC[CH](N)C(O)=O;C(CCCN)CCC(C(=O)O)N","InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1","","2004-12-07","2024-09-27","(2S)-2,8-diaminooctanoic acid",""],["HHL","N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide","C23 H21 Cl2 F N4 O4","COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C(F)=C)nc2)c1Cl;Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F","InChI=1S/C23H21Cl2FN4O4/c1-12-6-5-7-16(29-22(31)13(2)26)21(12)30-23-27-9-14(10-28-23)34-11-15-19(24)17(32-3)8-18(33-4)20(15)25/h5-10H,2,11H2,1,3-4H3,(H,29,31)(H,27,28,30)","","2021-01-12","2024-09-27","~{N}-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide","2021-04-14"],["60I","[4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone","C24 H34 N6 O","O=C(c1c(C)n(C)nc1C)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1;Cn1nc(C)c(c1C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C;Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C","InChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3","","2021-07-30","2021-09-03","(4-{[1-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone","2021-09-08"],["60J","2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid","C10 H10 N2 O2 S2","Nc1sc(CCc2sccc2)c(n1)C(O)=O;c1cc(sc1)CCc2c(nc(s2)N)C(=O)O","InChI=1S/C10H10N2O2S2/c11-10-12-8(9(13)14)7(16-10)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H2,11,12)(H,13,14)","","2023-01-10","2023-10-27","2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid","2023-11-01"],["HHM","N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide","C18 H15 Cl2 N3 O","c3(cc(CNC(c1cc(ccc1)Cn2ccnc2)=O)cc(c3)Cl)Cl;Clc1cc(Cl)cc(CNC(=O)c2cccc(Cn3ccnc3)c2)c1;c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3","InChI=1S/C18H15Cl2N3O/c19-16-7-14(8-17(20)9-16)10-22-18(24)15-3-1-2-13(6-15)11-23-5-4-21-12-23/h1-9,12H,10-11H2,(H,22,24)","","2018-07-02","2019-03-08","N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide","2019-03-13"],["60K","(3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid","C15 H12 N4 O5 S","O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)O;N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1;c1cc(ccc1NN=C2c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N","InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)","","2011-07-13","2013-05-03","(3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid","2013-05-08"],["HHN","5-bromanylpyrimidine","C4 H3 Br N2","Brc1cncnc1;c1c(cncn1)Br","InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H","","2018-12-06","2019-03-15","5-bromanylpyrimidine","2019-03-20"],["HHO","1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE","C9 H21 N O2","OCCCCCCCCNCO;OCCCCCCCCNCO;C(CCCCO)CCCNCO","InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2","","1999-07-08","2011-06-04","8-[(hydroxymethyl)amino]octan-1-ol",""],["60L","~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine","C12 H13 N S","CNCc1cccc(c1)c2sccc2;CNCc1cccc(c1)c2cccs2","InChI=1S/C12H13NS/c1-13-9-10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8,13H,9H2,1H3","","2016-01-10","2017-12-22","~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine","2017-12-27"],["HHP","6-HYDROXYMETHYL-7,8-DIHYDROPTERIN","C7 H9 N5 O2","O=C1NC(=NC=2NCC(=NC1=2)CO)N;NC1=NC2=C(N=C(CO)CN2)C(=O)N1;C1C(=NC2=C(N1)N=C(NC2=O)N)CO","InChI=1/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)/f/h9,12H,8H2","","1999-07-08","2008-10-14","2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4(3H)-one",""],["60M","6-(phosphonomethyl)pyridine-2-carboxylic acid","C7 H8 N O5 P","OC(=O)c1cccc(C[P](O)(O)=O)n1;c1cc(nc(c1)C(=O)O)CP(=O)(O)O","InChI=1S/C7H8NO5P/c9-7(10)6-3-1-2-5(8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)","","2016-01-11","2017-01-13","6-(phosphonomethyl)pyridine-2-carboxylic acid","2017-01-18"],["60N","6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid","C7 H8 N O6 P","O[CH](c1cccc(n1)C(O)=O)[P](O)(O)=O;c1cc(nc(c1)C(=O)O)C(O)P(=O)(O)O","InChI=1S/C7H8NO6P/c9-6(10)4-2-1-3-5(8-4)7(11)15(12,13)14/h1-3,7,11H,(H,9,10)(H2,12,13,14)/t7-/m0/s1","","2016-01-11","2017-01-13","6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid","2017-01-18"],["HHQ","4-iodanyl-3~{H}-pyridin-2-one","C5 H4 I N O","IC1=CC=NC(=O)C1;C1C(=CC=NC1=O)I","InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2","","2018-12-06","2019-03-15","4-iodanyl-3~{H}-pyridin-2-one","2019-03-20"],["HHR","6-HYDROXYMETHYLPTERIN","C7 H7 N5 O2","O=C1c2nc(cnc2N=C(N1)N)CO;NC1=Nc2ncc(CO)nc2C(=O)N1;c1c(nc2c(n1)N=C(NC2=O)N)CO","InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)","","2000-07-25","2011-06-04","2-amino-6-(hydroxymethyl)pteridin-4(3H)-one",""],["60O","7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine","C26 H33 N5 O2","Nc1ncnc2n(cc(c3cccc(OC[CH]4CCCCO4)c3)c12)[CH]5C[CH](C5)CN6CCC6;c1cc(cc(c1)OCC2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6","InChI=1S/C26H33N5O2/c27-25-24-23(19-5-3-7-21(13-19)33-16-22-6-1-2-10-32-22)15-31(26(24)29-17-28-25)20-11-18(12-20)14-30-8-4-9-30/h3,5,7,13,15,17-18,20,22H,1-2,4,6,8-12,14,16H2,(H2,27,28,29)/t18-,20+,22-/m1/s1","","2016-01-12","2016-04-08","7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine","2016-04-13"],["HHS","6-CARBOXYPTERIN","C7 H5 N5 O3","O=C(O)c1nc2C(=O)NC(=Nc2nc1)N;NC1=Nc2ncc(nc2C(=O)N1)C(O)=O;c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O","InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)","2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid","2009-03-12","2021-03-13","2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid",""],["60P","3-methylthiophene-2-carboxylic acid","C6 H6 O2 S","Cc1ccsc1C(O)=O;Cc1ccsc1C(=O)O","InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)","","2016-01-12","2016-04-22","3-methylthiophene-2-carboxylic acid","2016-04-27"],["HHT","2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid","C9 H9 Br O3","COc1cc(Br)ccc1CC(O)=O;COc1cc(ccc1CC(=O)O)Br","InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)","","2018-12-06","2019-03-15","2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid","2019-03-20"],["60Q","2-pyrrol-1-ylbenzoic acid","C11 H9 N O2","OC(=O)c1ccccc1n2cccc2;c1ccc(c(c1)C(=O)O)n2cccc2","InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14)","","2016-01-12","2016-04-22","2-pyrrol-1-ylbenzoic acid","2016-04-27"],["HHU","[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N3 O9 P","O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1NC=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)NC=O","InChI=1S/C10H14N3O9P/c14-4-11-7-8(16)5(3-21-23(18,19)20)22-9(7)13-2-1-6(15)12-10(13)17/h1-2,4-5,7-9,16H,3H2,(H,11,14)(H,12,15,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1","","2021-01-13","2024-11-15","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2024-11-20"],["60R","6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one","C23 H16 F N O3","Fc1ccc2c(OCc3ccccc3C2=Cc4ccc5OCC(=O)Nc5c4)c1;c1ccc2c(c1)COc3cc(ccc3C2=Cc4ccc5c(c4)NC(=O)CO5)F","InChI=1S/C23H16FNO3/c24-16-6-7-18-19(17-4-2-1-3-15(17)12-27-22(18)11-16)9-14-5-8-21-20(10-14)25-23(26)13-28-21/h1-11H,12-13H2,(H,25,26)/b19-9+","","2016-01-12","2016-03-04","6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one","2016-03-09"],["HHV","5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide","C10 H11 N5 O","O=C(c2c(NCc1cccnc1)nnc2)N;NC(=O)c1cn[nH]c1NCc2cccnc2;c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N","InChI=1S/C10H11N5O/c11-9(16)8-6-14-15-10(8)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,16)(H2,13,14,15)","","2009-09-17","2011-06-04","5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide",""],["60S","5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile","C18 H19 F N8 O S","C32(C(CN(c1nc(NC)c(F)c(n1)C)C2)C(=O)N(C(=N)N3)C)c4sc(cc4)C#N;CNc1nc(nc(C)c1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4sc(cc4)C#N;Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(s4)C#N)C)NC)F","InChI=1S/C18H19FN8OS/c1-9-13(19)14(22-2)24-17(23-9)27-7-11-15(28)26(3)16(21)25-18(11,8-27)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,25)(H,22,23,24)/t11-,18-/m0/s1","","2016-01-12","2016-03-11","5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile","2016-03-16"],["60T","(2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","C19 H19 F3 N6 O2","c4(nc(N1CC2(C(C1)C(=O)N(C(=N)N2)C)c3c(F)cccc3F)nc(c4F)OC)C;COc1nc(nc(C)c1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4c(F)cccc4F;Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4c(cccc4F)F)C)OC)F","InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-10-16(29)27(2)17(23)26-19(10,8-28)13-11(20)5-4-6-12(13)21/h4-6,10H,7-8H2,1-3H3,(H2,23,26)/t10-,19-/m0/s1","","2016-01-12","2016-03-11","(2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","2016-03-16"],["HHW","(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid","C16 H12 Cl N O3","OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2;c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)C=CC(=O)O","InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+","","2018-12-06","2019-03-15","(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid","2019-03-20"],["60U","5-[(2E,4aR,7aR)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile","C19 H20 F N7 O2 S","c1(sc(C#N)cc1)C23CN(CC2C(N(C)C(=N)N3)=O)c4nc(OCC)c(F)c(n4)C;CCOc1nc(nc(C)c1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4sc(cc4)C#N;CCOc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(s4)C#N)C)C)F","InChI=1S/C19H20FN7O2S/c1-4-29-15-14(20)10(2)23-18(24-15)27-8-12-16(28)26(3)17(22)25-19(12,9-27)13-6-5-11(7-21)30-13/h5-6,12H,4,8-9H2,1-3H3,(H2,22,25)/t12-,19-/m0/s1","","2016-01-12","2016-03-11","5-[(2E,4aR,7aR)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile","2016-03-16"],["HHX","[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[methanoyl(methyl)amino]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C11 H16 N3 O9 P","CN(C=O)[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;CN(C=O)C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C11H16N3O9P/c1-13(5-15)8-9(17)6(4-22-24(19,20)21)23-10(8)14-3-2-7(16)12-11(14)18/h2-3,5-6,8-10,17H,4H2,1H3,(H,12,16,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1","","2021-01-13","2025-01-17","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[methanoyl(methyl)amino]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2025-01-22"],["HHY","3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid","C11 H10 N2 O3","OC(=O)CCc1nnc(o1)c2ccccc2;OC(=O)CCc1oc(nn1)c2ccccc2;c1ccc(cc1)c2nnc(o2)CCC(=O)O","InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)","","2018-07-02","2018-08-03","3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid","2018-08-08"],["60V","5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile","C18 H18 F N7 O2 S","N1/C(N(C(=O)C2CN(CC12c3sc(cc3)C#N)c4nc(C)c(c(n4)OC)F)C)=N;COc1nc(nc(C)c1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4sc(cc4)C#N;Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(s4)C#N)C)OC)F","InChI=1S/C18H18FN7O2S/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1","","2016-01-12","2016-03-11","5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile","2016-03-16"],["HHZ","[[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C18 H26 N5 O15 P3","Nc1ncnc2n(cc(C#CCNC(=O)COCCO)c12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1c(c2c(ncnc2n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO","InChI=1S/C18H26N5O15P3/c19-17-16-11(2-1-3-20-14(26)9-34-5-4-24)7-23(18(16)22-10-21-17)15-6-12(25)13(36-15)8-35-40(30,31)38-41(32,33)37-39(27,28)29/h7,10,12-13,15,24-25H,3-6,8-9H2,(H,20,26)(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t12-,13+,15+/m0/s1","","2018-12-07","2019-02-22","[[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2019-02-27"],["60W","3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","C23 H20 F N7 O2 S","c5(c1cc(C#N)ccc1)cc(C43C(CN(c2ncc(c(n2)OC)F)C3)C(=O)N(C(=N)N4)C)sc5;COc1nc(ncc1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4scc(c4)c5cccc(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5ncc(c(n5)OC)F","InChI=1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1","","2016-01-12","2016-03-11","3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","2016-03-16"],["60X","(2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","C19 H19 F3 N6 O2","Cc4nc(N3CC2C(=O)N(C(=N)NC2(c1c(cc(cc1)F)F)C3)C)nc(c4F)OC;COc1nc(nc(C)c1F)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4ccc(F)cc4F;Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(cc4F)F)C)OC)F","InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1","","2016-01-12","2016-03-11","(2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one","2016-03-16"],["HI0","(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide","C43 H45 Cl N8 O4 S2","[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc7ncnc6cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)ccc67;CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)Nc3ncnc4cc(ccc34)N5CCN(CC5)Cc6ccccc6c7ccc(Cl)cc7;CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl","InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1","","2011-02-18","2011-06-04","N-(7-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide",""],["HI1","METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE ","C36 H45 Br N4 O6","Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CCCC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4;COC(=O)N[CH](C(=O)NN(CCC[C](O)(Cc1ccccc1)C(=O)N[CH]2[CH](O)Cc3ccccc23)Cc4ccc(Br)cc4)C(C)(C)C;CC(C)(C)C(C(=O)NN(CCCC(Cc1ccccc1)(C(=O)NC2c3ccccc3CC2O)O)Cc4ccc(cc4)Br)NC(=O)OC","InChI=1S/C36H45BrN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1","","2007-04-02","2011-06-04","methyl [(1S)-1-({2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)",""],["60Y","3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","C22 H18 F N7 O S","c1ccc(C#N)cc1c5cc(C34CN(c2ncc(F)cn2)CC3C(=O)N(C)C(=N)N4)sc5;CN1C(=N)N[C]2(CN(C[CH]2C1=O)c3ncc(F)cn3)c4scc(c4)c5cccc(c5)C#N;CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5ncc(cn5)F","InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1","","2016-01-12","2016-03-11","3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile","2016-03-16"],["HI3","N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide","C25 H20 F3 N3 O4 S","O=S(=O)(NC(=O)c2c(c1cc(c(F)cc1n2Cc3cc(F)ccc3F)C)C4=CC=CNC4=O)C5CC5;Cc1cc2c(cc1F)n(Cc3cc(F)ccc3F)c(C(=O)N[S](=O)(=O)C4CC4)c2C5=CC=CNC5=O;Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F","InChI=1S/C25H20F3N3O4S/c1-13-9-18-21(11-20(13)28)31(12-14-10-15(26)4-7-19(14)27)23(22(18)17-3-2-8-29-24(17)32)25(33)30-36(34,35)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,29,32)(H,30,33)","","2011-10-03","2012-01-27","N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide",""],["60Z","(3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione","C36 H51 N O7","C14(OC(C(C(C(C)CC=CCC=CC(OC(C2CCCCN2C(=O)C1=O)=O)C(Cc3ccccc3)CC)O)C)CCC4C)O;CC[CH](Cc1ccccc1)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH](CC[CH]4C)[CH](C)[CH](O)[CH](C)CC=CCC=C2;CCC(Cc1ccccc1)C2C=CCC=CCC(C(C(C3CCC(C(O3)(C(=O)C(=O)N4CCCCC4C(=O)O2)O)C)C)O)C","InChI=1S/C36H51NO7/c1-5-28(23-27-16-10-8-11-17-27)31-19-12-7-6-9-15-24(2)32(38)26(4)30-21-20-25(3)36(42,44-30)33(39)34(40)37-22-14-13-18-29(37)35(41)43-31/h6,8-12,16-17,19,24-26,28-32,38,42H,5,7,13-15,18,20-23H2,1-4H3/b9-6+,19-12+/t24-,25-,26+,28-,29+,30+,31+,32+,36-/m1/s1","","2016-01-12","2020-04-24","(3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione","2020-04-29"],["610","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide","C19 H18 N6 O8","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C4OC(n3cnc2cncnc23)C(O)C4O;O[CH]1[CH](O)[CH](O[CH]1C=CCNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)n3cnc4cncnc34;c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-]","InChI=1S/C19H18N6O8/c26-12-5-9(25(31)32)4-10(14(12)27)18(30)21-3-1-2-13-15(28)16(29)19(33-13)24-8-23-11-6-20-7-22-17(11)24/h1-2,4-8,13,15-16,19,26-29H,3H2,(H,21,30)/b2-1+/t13-,15-,16-,19-/m1/s1","","2010-08-24","2011-06-04","9-{(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-beta-D-ribo-hept-5-enofuranosyl}-9H-purine",""],["HI4","5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid","C23 H18 F N3 O5","[O-][N+](=O)c1cc(c(F)cc1)Cn3c2ccc(cc2c(c3C(=O)O)C4=CC=CNC4=O)CC;CCc1ccc2n(Cc3cc(ccc3F)[N+]([O-])=O)c(C(O)=O)c(C4=CC=CNC4=O)c2c1;CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O","InChI=1S/C23H18FN3O5/c1-2-13-5-8-19-17(10-13)20(16-4-3-9-25-22(16)28)21(23(29)30)26(19)12-14-11-15(27(31)32)6-7-18(14)24/h3-11H,2,12H2,1H3,(H,25,28)(H,29,30)","","2011-10-03","2012-01-27","5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid",""],["HI5","2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE","C11 H23 O9 P","O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC;CCCC(=O)OC[CH](CO[P](O)(O)(O)O)OC(=O)CCC;CCCC(=O)OCC(COP(O)(O)(O)O)OC(=O)CCC","InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1","","2004-04-02","2024-09-27","(2R)-3-[(tetrahydroxy-lambda~5~-phosphanyl)oxy]propane-1,2-diyl dibutanoate",""],["611","N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide","C19 H19 N3 O8 S","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C3OC(Sc2ccncc2)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1Sc2ccncc2)C=CCNC(=O)c3cc(cc(O)c3O)[N+]([O-])=O;c1cnccc1SC2C(C(C(O2)C=CCNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O","InChI=1S/C19H19N3O8S/c23-13-9-10(22(28)29)8-12(15(13)24)18(27)21-5-1-2-14-16(25)17(26)19(30-14)31-11-3-6-20-7-4-11/h1-4,6-9,14,16-17,19,23-26H,5H2,(H,21,27)/b2-1+/t14-,16-,17-,19+/m1/s1","","2010-08-24","2011-06-04","pyridin-4-yl (5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-1-thio-beta-D-ribo-hept-5-enofuranoside",""],["HI6","4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM","C14 H16 N4 O3","O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO;NC(=O)c1cc[n+](COC[n+]2ccccc2C=NO)cc1;c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N","InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2","1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER","2006-05-15","2020-06-17","4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium",""],["612","6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione","C16 H26 N2 O3 S","O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C;CCOCN1C(=O)NC(=O)C(=C1SC2CCCCC2)C(C)C;CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2","InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)","TNK-6123","1999-07-26","2020-06-17","6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione",""],["613","4-(4-chlorophenyl)piperazine-1-carboximidamide","C11 H15 Cl N4","Clc2ccc(N1CCN(C(=[N@H])N)CC1)cc2;NC(=N)N1CCN(CC1)c2ccc(Cl)cc2;c1cc(ccc1N2CCN(CC2)C(=N)N)Cl","InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)","","2011-07-20","2011-08-19","4-(4-chlorophenyl)piperazine-1-carboximidamide",""],["HI8","(6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one","C23 H26 N4 O2","O=C1N=C(NC1(C)c1ccccc1)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C;C[CH](N1C(=O)Nc2ccc(cc12)C3=NC(=O)[C](C)(N3)c4ccccc4)C(C)(C)C;CC(C(C)(C)C)N1c2cc(ccc2NC1=O)C3=NC(=O)C(N3)(C)c4ccccc4","InChI=1S/C23H26N4O2/c1-14(22(2,3)4)27-18-13-15(11-12-17(18)24-21(27)29)19-25-20(28)23(5,26-19)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,24,29)(H,25,26,28)/t14-,23+/m1/s1","","2023-07-21","2023-12-01","(6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one","2023-12-06"],["HI9","(2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol","C17 H23 N5 O3","CCc1nc(N)nc(N)c1OCCCOc1ncccc1C=CCO;CCc1nc(N)nc(N)c1OCCCOc2ncccc2C=CCO;CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C=CCO","InChI=1S/C17H23N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3-4,6-8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22)","","2022-01-03","2022-02-04","(2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol","2022-02-09"],["614","7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one","C23 H31 N7 O2","O=C2N(N=C(Nc1cc(nn1)C)c3ccc(cc23)CN4CCN(C)CC4)C5CCOCC5;CN1CCN(CC1)Cc2ccc3C(=NN(C4CCOCC4)C(=O)c3c2)Nc5[nH]nc(C)c5;Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5","InChI=1S/C23H31N7O2/c1-16-13-21(26-25-16)24-22-19-4-3-17(15-29-9-7-28(2)8-10-29)14-20(19)23(31)30(27-22)18-5-11-32-12-6-18/h3-4,13-14,18H,5-12,15H2,1-2H3,(H2,24,25,26,27)","","2010-04-19","2011-06-04","7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one",""],["615","(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide","C28 H25 N3 O4","O=C(NO)C1CC1(C(=O)N)Cc5ccc(OCc2c4ccccc4nc(c2)c3ccccc3)cc5;NC(=O)[C]1(C[CH]1C(=O)NO)Cc2ccc(OCc3cc(nc4ccccc34)c5ccccc5)cc2;c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(CC5C(=O)NO)C(=O)N","InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1","","2008-08-22","2011-06-04","(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide",""],["HIA","L-HISTIDINE AMIDE","C6 H10 N4 O","O=C(N)C(N)Cc1cncn1;N[CH](Cc1[nH]cnc1)C(N)=O;c1c([nH]cn1)CC(C(=O)N)N","InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1","L-HISTIDINAMIDE","2003-10-31","2024-09-27","L-histidinamide",""],["616","N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4-PIPERIDIN-1-YL-BUT-2-ENOYL)-PYRROLIDIN-3-YL]-METHANESULFONAMIDE","C19 H33 N3 O4 S","O=S(=O)(NC2CCN(C(=O)/C=C/CN1CCCCC1)C2C(C=O)C(C)C)C;CC(C)[CH](C=O)[CH]1[CH](CCN1C(=O)C=CCN2CCCCC2)N[S](C)(=O)=O;CC(C)C(C=O)C1C(CCN1C(=O)C=CCN2CCCCC2)NS(=O)(=O)C","InChI=1S/C19H33N3O4S/c1-15(2)16(14-23)19-17(20-27(3,25)26)9-13-22(19)18(24)8-7-12-21-10-5-4-6-11-21/h7-8,14-17,19-20H,4-6,9-13H2,1-3H3/b8-7+/t16-,17+,19-/m0/s1","","2001-01-10","2024-09-27","N-{(2S,3R)-2-[(1S)-1-formyl-2-methylpropyl]-1-[(2E)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl}methanesulfonamide",""],["HIB","4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-METHYLBENZOIC ACID","C10 H11 I O5","O=C(O)c1c(OC)c(OC)c(O)c(I)c1C;COc1c(O)c(I)c(C)c(C(O)=O)c1OC;Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O","InChI=1S/C10H11IO5/c1-4-5(10(13)14)8(15-2)9(16-3)7(12)6(4)11/h12H,1-3H3,(H,13,14)","","1999-07-08","2011-06-04","4-hydroxy-3-iodo-5,6-dimethoxy-2-methylbenzoic acid",""],["HIC","4-METHYL-HISTIDINE","C7 H11 N3 O2","O=C(O)C(N)Cc1ncn(c1)C;Cn1cnc(C[CH](N)C(O)=O)c1;Cn1cc(nc1)CC(C(=O)O)N","InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1","","1999-07-08","2024-09-27","1-methyl-L-histidine",""],["617","2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID","C15 H12 Cl N O4","Clc2ccc(OCC(=O)Nc1ccccc1C(=O)O)cc2;OC(=O)c1ccccc1NC(=O)COc2ccc(Cl)cc2;c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl","InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)","2-(2-(4-CHLOROPHENOXY)ACETAMIDO)BENZOIC ACID","2007-06-26","2021-03-01","2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid",""],["HID","(5-hydroxy-1H-indol-3-yl)acetic acid","C10 H9 N O3","OC(=O)Cc1c[nH]c2ccc(O)cc12;c1cc2c(cc1O)c(c[nH]2)CC(=O)O","InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)","5-hydroxy-indole acetate","2010-02-08","2021-03-01","2-(5-hydroxy-1H-indol-3-yl)ethanoic acid",""],["618","(3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE","C25 H32 N6 O3 S","O=C4N3C(C(=O)Nc2cc(nn2c1ccccc1)C)C(SC3CC=CC4NC(=O)C(NC)C)(C)C;CN[CH](C)C(=O)N[CH]1C=CC[CH]2SC(C)(C)[CH](N2C1=O)C(=O)Nc3cc(C)nn3c4ccccc4;Cc1cc(n(n1)c2ccccc2)NC(=O)C3C(SC4N3C(=O)C(C=CC4)NC(=O)C(C)NC)(C)C","InChI=1S/C25H32N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-12,14,16,18,20-21,26H,13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18+,20+,21+/m0/s1","","2006-08-21","2011-06-04","(3R,6R,9aR)-2,2-dimethyl-6-[(N-methyl-L-alanyl)amino]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide",""],["HIE","4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide","C23 H27 F3 N4 O3","FC(F)(F)c2nn(c1c2C(=O)CC(C1)(C)C)c4ccc(C(=O)N)c(NC3CCC(O)CC3)c4;CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(N)=O)c(N[CH]4CC[CH](O)CC4)c3;CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C","InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14+","","2010-09-07","2026-02-24","4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide",""],["619","N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide","C27 H27 F N6 O6","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCC)C(O)C5O;CCNc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O;CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O","InChI=1S/C27H27FN6O6/c1-2-29-24-20-25(32-12-31-24)34(13-33-20)27-23(38)22(37)19(40-27)4-3-9-30-26(39)17-10-15(11-18(35)21(17)36)14-5-7-16(28)8-6-14/h3-8,10-13,19,22-23,27,35-38H,2,9H2,1H3,(H,30,39)(H,29,31,32)/b4-3+/t19-,22-,23-,27-/m1/s1","","2009-06-22","2011-06-04","N-ethyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["61C","platinum(4+) chloride azanide [2-(9H-carbazol-9-yl)ethyl]azanide (1:1:2:1)","C14 H17 Cl N4 Pt","c13c(cccc1)c2ccccc2n3CCN[Pt](Cl)(N)N;N[Pt](N)(Cl)NCCn1c2ccccc2c3ccccc13;c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl","InChI=1S/C14H13N2.ClH.2H2N.Pt/c15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;;;;/h1-8,15H,9-10H2;1H;2*1H2;/q-1;;2*-1;+4/p-1","","2016-01-12","2017-01-13","platinum(4+) chloride azanide [2-(9H-carbazol-9-yl)ethyl]azanide (1:1:2:1)","2017-01-18"],["HIF","FE(III)-(4-MESOPORPHYRINONE)","C34 H36 Fe N4 O5","CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=O)[C]6(C)CC)C(=C3C)CCC(O)=O;CCc1c(c2n3c1C=C4C(C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C","InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42,43);/q;+2/p-2/t34-;/m0./s1","FE-MESOPONE; (8,12-DIETHYL-3,8,13,17-TETRAMETHYL-7-OXO-PORPHYRINATO-2,18-DIPROPIONIC ACID)IRON(III)","2002-01-22","2023-09-23","",""],["HIG","2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine","C26 H25 N7","n1nnnc1c2c(cccc2)c3ccc6c(c3)CCC6n4c5nc(cc(c5nc4CC)C)C;CCc1nc2c(C)cc(C)nc2n1[CH]3CCc4cc(ccc34)c5ccccc5c6[nH]nnn6;CCc1nc2c(cc(nc2n1C3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C","InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)/t22-/m0/s1","","2011-03-28","2012-03-09","2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine",""],["61D","hypoiodous acid","H I O","OI;OI","InChI=1S/HIO/c1-2/h2H","","2021-09-08","2021-09-17","hypoiodous acid","2021-09-22"],["61E","4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione","C26 H24 Cl N3 O4","Clc1ccccc1c4c5c(c3c2cc(O)c(OCCCN(C)C)cc2n(c3c4)C)C(=O)NC5=O;CN(C)CCCOc1cc2n(C)c3cc(c4ccccc4Cl)c5C(=O)NC(=O)c5c3c2cc1O;Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl","InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33)","","2007-12-06","2011-06-04","4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione",""],["HIH","ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate","C23 H27 N3 O2","CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4;CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4","InChI=1S/C23H27N3O2/c1-2-28-23(27)22-16-20-15-19(18-7-12-25-13-8-18)3-4-21(20)26(22)14-9-17-5-10-24-11-6-17/h3-4,7-8,12-13,15-17,24H,2,5-6,9-11,14H2,1H3","","2022-02-07","2023-02-10","ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate","2023-02-15"],["61F","N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide","C39 H36 Cl F8 N7 O5 S2","CS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O)=O)nc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F;CC(C)(C#Cc1ccc(c(n1)[CH](Cc2cc(F)cc(F)c2)NC(=O)Cn3nc(c4CCCCc34)C(F)(F)F)c5ccc(Cl)c6c(N[S](C)(=O)=O)nn(CC(F)(F)F)c56)[S](C)(=O)=O;CC(C)(C#Cc1ccc(c(n1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)c5ccc(c6c5n(nc6NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C","InChI=1S/C39H36ClF8N7O5S2/c1-37(2,61(3,57)58)14-13-24-9-10-25(26-11-12-28(40)32-34(26)55(20-38(43,44)45)52-36(32)53-62(4,59)60)33(49-24)29(17-21-15-22(41)18-23(42)16-21)50-31(56)19-54-30-8-6-5-7-27(30)35(51-54)39(46,47)48/h9-12,15-16,18,29H,5-8,17,19-20H2,1-4H3,(H,50,56)(H,52,53)/t29-/m0/s1","","2021-07-30","2022-07-29","N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide","2022-08-03"],["HII","2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL","C7 H10 N2 O S","O=CC(C)Cc1nc(sc1)N;C[CH](Cc1csc(N)n1)C=O;CC(Cc1csc(n1)N)C=O","InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1","","1999-07-08","2011-12-12","(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal",""],["HIJ","3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","C22 H24 N4 O4","Nc1nc(c2ccccc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;Nc1nc(N)c(OCCCOc2ccccc2CCC(O)=O)c(n1)c3ccccc3;c1ccc(cc1)c2c(c(nc(n2)N)N)OCCCOc3ccccc3CCC(=O)O","InChI=1S/C22H24N4O4/c23-21-20(19(25-22(24)26-21)16-8-2-1-3-9-16)30-14-6-13-29-17-10-5-4-7-15(17)11-12-18(27)28/h1-5,7-10H,6,11-14H2,(H,27,28)(H4,23,24,25,26)","","2023-07-21","2024-08-23","3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid","2024-08-28"],["61G","2-methylbuta-1,3-diene","C5 H8","CC(=C)[C@H]=C;CC(=C)C=C;CC(=C)C=C","InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3","","2016-01-13","2016-02-26","2-methylbuta-1,3-diene","2016-03-02"],["61H","(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol","C19 H19 O6 P","P(=O)(O)OCC4OC(c3cc2ccc1ccccc1c2cc3)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc3c(ccc4ccccc34)c2;c1ccc2c(c1)ccc3c2ccc(c3)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C19H19O6P/c20-17-10-18(25-19(17)11-24-26(21,22)23)14-7-8-16-13(9-14)6-5-12-3-1-2-4-15(12)16/h1-9,17-20H,10-11H2,(H2,21,22,23)/t17-,18+,19+/m0/s1","","2016-01-13","2025-12-01","(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol","2016-03-02"],["HIK","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol","C17 H25 N5 O3","CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO;CCc1nc(N)nc(N)c1OCCCOc2ncccc2CCCO;CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO","InChI=1S/C17H25N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,4-5,7,9-11H2,1H3,(H4,18,19,21,22)","","2022-01-03","2022-02-04","3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol","2022-02-09"],["HIL","4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide","C21 H24 N4 O4 S","N[S](=O)(=O)c1ccc(CCNC(=O)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1;c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)NCCc4ccc(cc4)S(=O)(=O)N","InChI=1S/C21H24N4O4S/c22-30(28,29)17-7-5-15(6-8-17)9-11-23-21(27)24-13-19-18-4-2-1-3-16(18)10-12-25(19)20(26)14-24/h1-8,19H,9-14H2,(H,23,27)(H2,22,28,29)/t19-/m0/s1","(11b-R)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carboxamide","2022-02-07","2023-02-10","(11~{b}~{R})-4-oxidanylidene-~{N}-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide","2023-02-15"],["61I","4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one","C22 H21 Cl F N3 O2","Clc1nccc2CC(Cc21)CN1CC(C1)CNC1=CC(=O)Oc2ccc(F)cc21;Fc1ccc2OC(=O)C=C(NCC3CN(C3)C[CH]4Cc5ccnc(Cl)c5C4)c2c1;c1cc2c(cc1F)C(=CC(=O)O2)NCC3CN(C3)CC4Cc5ccnc(c5C4)Cl","InChI=1S/C22H21ClFN3O2/c23-22-17-6-13(5-15(17)3-4-25-22)10-27-11-14(12-27)9-26-19-8-21(28)29-20-2-1-16(24)7-18(19)20/h1-4,7-8,13-14,26H,5-6,9-12H2","","2023-04-19","2023-06-23","4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one","2023-06-28"],["HIN","(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE","C16 H21 Cl N2 O3","ClCCC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccccc1;C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C(=O)CCCl;CC(C(=O)NC(Cc1ccccc1)C(=O)CCCl)NC(=O)C","InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1","","1999-07-08","2024-09-27","N~2~-acetyl-N-[(1S)-1-benzyl-4-chloro-2-oxobutyl]-L-alaninamide",""],["61J","(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol","C8 H17 O8 P","C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O;C[CH]1O[CH](CCO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)CCOP(=O)(O)O)O)O)O","InChI=1S/C8H17O8P/c1-4-6(9)8(11)7(10)5(16-4)2-3-15-17(12,13)14/h4-11H,2-3H2,1H3,(H2,12,13,14)/t4-,5-,6+,7+,8+/m0/s1","","2016-01-13","2025-12-01","(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol","2016-03-02"],["HIO","N-HYDROXY-N-ISOPROPYLOXAMIC ACID","C5 H9 N O4","O=C(O)C(=O)N(O)C(C)C;CC(C)N(O)C(=O)C(O)=O;CC(C)N(C(=O)C(=O)O)O","InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)","","1999-07-08","2011-06-04","[hydroxy(1-methylethyl)amino](oxo)acetic acid",""],["61K","(3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide","C20 H19 N7 O4 S","O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)NCCc4ncnc4;N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc4c[nH]cn4)cc1;c1cc(ccc1NN=C2c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N","InChI=1S/C20H19N7O4S/c21-32(30,31)15-4-2-13(3-5-15)26-27-18-16-9-12(1-6-17(16)25-20(18)29)19(28)23-8-7-14-10-22-11-24-14/h1-6,9-11,26H,7-8H2,(H,22,24)(H,23,28)(H2,21,30,31)(H,25,27,29)","","2011-07-13","2013-05-03","(3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide","2013-05-08"],["61L","4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid","C16 H17 N O2 S","c1ccc(C)c(c1SC)Nc2c(C(=O)O)ccc(c2)C;CSc1cccc(C)c1Nc2cc(C)ccc2C(O)=O;Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O","InChI=1S/C16H17NO2S/c1-10-7-8-12(16(18)19)13(9-10)17-15-11(2)5-4-6-14(15)20-3/h4-9,17H,1-3H3,(H,18,19)","","2015-05-06","2016-05-06","4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid","2016-05-11"],["HIP","ND1-PHOSPHONOHISTIDINE","C6 H11 N3 O5 P","O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N;N[CH](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O;c1c(n(c[nH+]1)P(=O)(O)O)CC(C(=O)O)N","InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1","","1999-07-08","2024-09-27","3-(1-phosphono-1H-imidazol-3-ium-5-yl)-L-alanine",""],["HIQ","1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE","C9 H15 N3 O5","O=C(O)C(N)Cc1ncn(c1)C(O)(CO)CO;N[CH](Cc1cn(cn1)C(O)(CO)CO)C(O)=O;c1c(ncn1C(CO)(CO)O)CC(C(=O)O)N","InChI=1S/C9H15N3O5/c10-7(8(15)16)1-6-2-12(5-11-6)9(17,3-13)4-14/h2,5,7,13-14,17H,1,3-4,10H2,(H,15,16)/t7-/m0/s1","","2006-05-27","2024-09-27","1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine",""],["61M","3-(2-aminophenyl)-3-oxopropanoic acid","C9 H9 N O3","C(C(O)=O)C(c1ccccc1N)=O;Nc1ccccc1C(=O)CC(O)=O;c1ccc(c(c1)C(=O)CC(=O)O)N","InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)","2-aminobenzoylacetate","2016-01-13","2020-06-17","3-(2-aminophenyl)-3-oxopropanoic acid","2016-04-27"],["HIR","methyliridium(III) mesoporphyrin","C35 H33 Ir N4 O5","O=C(O)CCC=1C2=Cc3c(CCC(=O)O)c(C)c4C=C5C(C)=C(C=C)C=6C=C7C(C)=C(C=C)C8=CC(C=1C)=N2[Ir](C=O)(n43)(N5=6)N78;CC1=C(CCC(O)=O)C2=Cc3n4[Ir](C=O)[N]5C(=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ir]36([N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C=O)C)CCC(=O)O","InChI=1S/C34H34N4O4.CHO.Ir/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-2;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;","","2022-04-14","2024-01-19","[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](formyl)iridium","2023-02-22"],["61N","6-hydroxynaphthalene-1-carboxylic acid","C11 H8 O3","O=C(O)c1cccc2c1ccc(O)c2;OC(=O)c1cccc2cc(O)ccc12;c1cc2cc(ccc2c(c1)C(=O)O)O","InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)","6-HYDROXY-1-NAPHTHOIC ACID","2013-08-22","2020-06-17","6-hydroxynaphthalene-1-carboxylic acid","2013-09-04"],["HIS","HISTIDINE","C6 H10 N3 O2","O=C(O)C(N)Cc1cnc[nH+]1;N[CH](Cc1c[nH]c[nH+]1)C(O)=O;c1c([nH+]c[nH]1)CC(C(=O)O)N","InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1","","1999-07-08","2023-11-03","3-(1H-imidazol-3-ium-4-yl)-L-alanine",""],["61O","2-(pyridin-3-yl)benzoic acid","C12 H9 N O2","c1(cnccc1)c2ccccc2C(O)=O;OC(=O)c1ccccc1c2cccnc2;c1ccc(c(c1)c2cccnc2)C(=O)O","InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)","","2016-01-13","2016-04-22","2-(pyridin-3-yl)benzoic acid","2016-04-27"],["HIT","2-(ALPHA-HYDROXYISOVALERYL) PROPIONIC ACID","C8 H14 O4","O=C(C(C(=O)O)C)C(O)C(C)C;CC(C)[CH](O)C(=O)[CH](C)C(O)=O;CC(C)C(C(=O)C(C)C(=O)O)O","InChI=1S/C8H14O4/c1-4(2)6(9)7(10)5(3)8(11)12/h4-6,9H,1-3H3,(H,11,12)/t5-,6?/m0/s1","","2004-04-15","2011-06-04","(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoic acid",""],["61P","2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name)","C30 H30 N8 O2","C(=NNC(C(N)Cc1nc2c(c1)cccc2)=O)c3cc(ccc3)[C@H]=NNC(=O)C(N)Cc4cnc5c4cccc5;NC(Cc1[nH]c2ccccc2c1)C(=O)NN=Cc3cccc(C=NNC(=O)[CH](N)Cc4c[nH]c5ccccc45)c3;c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)C=NNC(=O)C(Cc4c[nH]c5c4cccc5)N)N","InChI=1S/C30H30N8O2/c31-25(14-22-18-33-28-11-4-2-9-24(22)28)29(39)37-34-16-19-6-5-7-20(12-19)17-35-38-30(40)26(32)15-23-13-21-8-1-3-10-27(21)36-23/h1-13,16-18,25-26,33,36H,14-15,31-32H2,(H,37,39)(H,38,40)/b34-16+,35-17?/t25-,26?/m0/s1","","2016-01-13","2019-09-04","2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name)","2016-07-20"],["HIU","(2R)-3-HYDROXY-2-METHYLPROPANOIC ACID","C4 H8 O3","O=C(O)C(C)CO;C[CH](CO)C(O)=O;CC(CO)C(=O)O","InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1","3-HYDROXYISOBUTYRATE","2005-03-29","2020-06-17","(2R)-3-hydroxy-2-methylpropanoic acid",""],["61Q","4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid","C52 H52 N12 O11","NCCCOc1cc(C(O)=O)nc2c1cccc2NC(=O)c3cc(OCCCN)c4c(n3)c(ccc4)NC(=O)c5nc6c(cccc6c(c5)OCCCN)NC(=O)c7cc(c8c(n7)c([N+]([O-])=O)ccc8)OCCCN;NCCCOc1cc(nc2c(NC(=O)c3cc(OCCCN)c4cccc(NC(=O)c5cc(OCCCN)c6cccc(NC(=O)c7cc(OCCCN)c8cccc(c8n7)[N+]([O-])=O)c6n5)c4n3)cccc12)C(O)=O;c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN","InChI=1S/C52H52N12O11/c53-17-5-21-72-41-25-36(57-46-30(41)10-2-14-34(46)62-51(67)38-27-43(74-23-7-19-55)32-12-4-16-40(64(70)71)48(32)59-38)49(65)61-33-13-1-9-29-42(73-22-6-18-54)26-37(58-45(29)33)50(66)63-35-15-3-11-31-44(75-24-8-20-56)28-39(52(68)69)60-47(31)35/h1-4,9-16,25-28H,5-8,17-24,53-56H2,(H,61,65)(H,62,67)(H,63,66)(H,68,69)","","2016-01-13","2016-10-28","4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid","2016-11-02"],["61S","tert-butyl (2R)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate","C29 H34 N2 O4","C(c1ccc(O)cc1)Cc3cc(C(NC(C(=O)OC(C)(C)C)CCc2ccccc2)=O)ccc3N;CC(C)(C)OC(=O)[CH](CCc1ccccc1)NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2;CC(C)(C)OC(=O)C(CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N","InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m1/s1","","2016-01-13","2016-01-29","tert-butyl (2R)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate","2016-02-03"],["HIW","(2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca\nrboxylic acid","C12 H19 N3 O5 S","O=C(O)C1=NC(CC1SCCN[C@H]=N)C(C(O)=O)C(O)C;C[CH](O)[CH]([CH]1C[CH](SCCNC=N)C(=N1)C(O)=O)C(O)=O;CC(C(C1CC(C(=N1)C(=O)O)SCCNC=N)C(=O)O)O","InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8+,9-/m1/s1","Hydrolyzed Imipenem","2015-12-24","2024-09-27","(2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid","2016-05-11"],["61T","[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate","C19 H20 F3 N5 O5 S2","N[S](=O)(=O)OC[CH]1C[CH](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[CH](O)[CH]1O;c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)NC4CC(C(C4O)O)COS(=O)(=O)N","InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1","MLN7243","2016-01-14","2024-09-27","[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate","2017-06-14"],["HIX","3-(1H-1,2,3-triazol-5-yl)-L-alanine","C5 H8 N4 O2","NC(C(O)=O)Cc1nnnc1;N[CH](Cc1[nH]nnc1)C(O)=O;c1c([nH]nn1)CC(C(=O)O)N","InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1","","2015-05-26","2024-09-27","3-(1H-1,2,3-triazol-5-yl)-L-alanine","2016-02-03"],["61U","5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile","C27 H31 F N6 O2","CN1CCC(CC1)[C](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)c(cc4F)C#N)cc3n2;CC(c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O","InChI=1S/C27H31FN6O2/c1-27(35,20-5-7-33(2)8-6-20)25-4-3-18-17-30-26(15-22(18)31-25)32-23-14-24(19(16-29)13-21(23)28)34-9-11-36-12-10-34/h3-4,13-15,17,20,35H,5-12H2,1-2H3,(H,30,32)/t27-/m1/s1","","2021-09-09","2022-03-04","5-fluoranyl-4-[[2-[(1~{R})-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile","2022-03-09"],["HIY","5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine","C19 H23 N7 O4 S","Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)Nc2ccccc2)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCNC(=O)Nc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)NC(=O)NCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C19H23N7O4S/c20-16-13-17(23-9-22-16)26(10-24-13)18-15(28)14(27)12(30-18)8-31-7-6-21-19(29)25-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,27-28H,6-8H2,(H2,20,22,23)(H2,21,25,29)/t12-,14-,15-,18-/m1/s1","","2023-05-01","2024-04-12","5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine","2024-04-17"],["61V","N-(1-benzylpiperidin-4-yl)-4-iodobenzamide","C19 H21 I N2 O","C1C(CCN(C1)Cc2ccccc2)NC(c3ccc(I)cc3)=O;Ic1ccc(cc1)C(=O)NC2CCN(CC2)Cc3ccccc3;c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I","InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)","","2016-01-14","2016-04-01","N-(1-benzylpiperidin-4-yl)-4-iodobenzamide","2016-04-06"],["HIZ","1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea","C19 H18 Cl F N4 O2 S","O=C(Nc1nc(cs1)C(N)COCc2ccccc2)Nc3ccc(F)c(Cl)c3;N[CH](COCc1ccccc1)c2csc(NC(=O)Nc3ccc(F)c(Cl)c3)n2;c1ccc(cc1)COCC(c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N","InChI=1S/C19H18ClFN4O2S/c20-14-8-13(6-7-15(14)21)23-18(26)25-19-24-17(11-28-19)16(22)10-27-9-12-4-2-1-3-5-12/h1-8,11,16H,9-10,22H2,(H2,23,24,25,26)/t16-/m1/s1","","2009-09-04","2011-06-04","1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea",""],["HJ0","4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide","C15 H17 N7 O","Cc1[nH]nc(NC(=O)c2cn(c3ncnc(N)c23)C4(C)CC4)c1;Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C","InChI=1S/C15H17N7O/c1-8-5-10(21-20-8)19-14(23)9-6-22(15(2)3-4-15)13-11(9)12(16)17-7-18-13/h5-7H,3-4H2,1-2H3,(H2,16,17,18)(H2,19,20,21,23)","","2021-01-13","2022-01-07","4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide","2022-01-12"],["61W","3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole","C18 H22 N2 O","c2(cc(c1ccc(C)cc1)no2)C3=CCCN(CCC)C3;CCCN1CCC=C(C1)c2onc(c2)c3ccc(C)cc3;CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C","InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3","PD144418","2016-01-14","2020-06-17","5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-propyl-1,2,3,6-tetrahydropyridine","2016-04-06"],["HJ1","N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide","C11 H16 N2 O3","C(N)CC(NCCc1cc(c(cc1)O)O)=O;NCCC(=O)NCCc1ccc(O)c(O)c1;c1cc(c(cc1CCNC(=O)CCN)O)O","InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16)","beta-alanyl-dopamine","2018-07-03","2021-03-01","N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide","2019-01-30"],["61X","4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline","C23 H16 F3 N O3 S","O=S(=O)(c4cccc(Oc3cccc(c1c2cccc(c2ncc1)C(F)(F)F)c3)c4)C;C[S](=O)(=O)c1cccc(Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F)c1;CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F","InChI=1S/C23H16F3NO3S/c1-31(28,29)18-8-3-7-17(14-18)30-16-6-2-5-15(13-16)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3","","2009-10-29","2011-06-04","4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline",""],["HJ2","(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C15 H23 N3 O7 S","O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1SCC(=C(N1)C(=O)O)C;CC1=C(N[CH](SC1)[CH](NC(=O)CCCC[CH](N)C(O)=O)C(O)=O)C(O)=O;CC1=C(NC(SC1)C(C(=O)O)NC(=O)CCCCC(C(=O)O)N)C(=O)O","InChI=1S/C15H23N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12,18H,2-6,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11-,12+/m0/s1","","2007-12-14","2024-09-27","(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["61Y","4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine","C16 H15 N7","c3(cnc2ncc(c1nc(N)nc(c1)CC)c2c3)c4cnnc4;CCc1cc(nc(N)n1)c2c[nH]c3ncc(cc23)c4c[nH]nc4;CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4","InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)","","2016-01-14","2016-06-03","4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine","2016-06-08"],["HJ3","(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C15 H25 N3 O6 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC(C(=O)O)N;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)CCCC[CH](N)C(O)=O)C=O;CC1(C(NC(S1)C(C=O)NC(=O)CCCCC(C(=O)O)N)C(=O)O)C","InChI=1S/C15H25N3O6S/c1-15(2)11(14(23)24)18-12(25-15)9(7-19)17-10(20)6-4-3-5-8(16)13(21)22/h7-9,11-12,18H,3-6,16H2,1-2H3,(H,17,20)(H,21,22)(H,23,24)/t8-,9+,11-,12+/m0/s1","","2007-12-18","2024-09-27","(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["61Z","2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol","C20 H14 Cl N3 O S","Oc1ccc2CN(Cc2c1)c1nc(Cl)nc2scc(c12)c1ccccc1;Oc1ccc2CN(Cc2c1)c3nc(Cl)nc4scc(c5ccccc5)c34;c1ccc(cc1)c2csc3c2c(nc(n3)Cl)N4Cc5ccc(cc5C4)O","InChI=1S/C20H14ClN3OS/c21-20-22-18(24-9-13-6-7-15(25)8-14(13)10-24)17-16(11-26-19(17)23-20)12-4-2-1-3-5-12/h1-8,11,25H,9-10H2","","2021-07-30","2022-07-29","2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol","2022-08-03"],["HJ4","(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)","C32 H41 N O2","C4(CCC3=C2C(CC1(C(CCC1C2CCC3=C4)(O)C#CC(C)(C)C)C)c5ccc(cc5)N(C)C)=O;CN(C)c1ccc(cc1)[CH]2C[C]3(C)[CH](CC[C]3(O)C#CC(C)(C)C)[CH]4CCC5=CC(=O)CCC5=C24;CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C","InChI=1S/C32H41NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,26-28,35H,9,12-16,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1","","2018-07-03","2018-09-28","(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)","2018-10-03"],["620","N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine","C15 H16 N6 O","n3nnn(NCc2cc(OCc1ccccc1)ccc2)c3N;Nc1nnnn1NCc2cccc(OCc3ccccc3)c2;c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N","InChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20)","","2015-01-20","2015-08-07","N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine","2015-08-12"],["HJ5","[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium","C24 H32 N3 O4 P","[NH3+][CH](CCc1ccccc1)[P](O)(=O)C[CH](CC#C)C(=O)N[CH](Cc2ccccc2)C([NH3+])=O;C#CCC(CP(=O)(C(CCc1ccccc1)[NH3+])O)C(=O)NC(Cc2ccccc2)C(=O)[NH3+]","InChI=1S/C24H30N3O4P/c1-2-9-20(17-32(30,31)22(25)15-14-18-10-5-3-6-11-18)24(29)27-21(23(26)28)16-19-12-7-4-8-13-19/h1,3-8,10-13,20-22H,9,14-17,25H2,(H2,26,28)(H,27,29)(H,30,31)/p+2/t20-,21+,22-/m1/s1","","2018-12-07","2019-04-05","[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium","2019-04-10"],["621","N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide","C14 H25 N3 O6","O=C(NC(C(=O)CO)CC(C)C)C(NC(=O)CNC(=O)C)CO;CC(C)C[CH](NC(=O)[CH](CO)NC(=O)CNC(C)=O)C(=O)CO;CC(C)CC(C(=O)CO)NC(=O)C(CO)NC(=O)CNC(=O)C","InChI=1S/C14H25N3O6/c1-8(2)4-10(12(21)7-19)17-14(23)11(6-18)16-13(22)5-15-9(3)20/h8,10-11,18-19H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,23)/t10-,11-/m0/s1","","2010-12-02","2024-09-27","N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide",""],["622","6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine","C21 H19 F2 N5 O","c1(cc2c(nc1)ncc2Cc4c(nc(NCc3c(OC)ncc(c3)F)cc4)F)C;COc1ncc(F)cc1CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2;Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F","InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26)","","2018-11-15","2019-09-13","6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine","2019-09-18"],["HJ6","3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid","C29 H29 N7 O9 S2","CNC(=O)c1ccc2n(CC3CN(C3)[S](=O)(=O)c4cccc(c4)[S](O)(=O)=O)c(nc2c1)c5oc(Cn6nc(C)c(c6C)[N+]([O-])=O)cc5;Cc1c(c(n(n1)Cc2ccc(o2)c3nc4cc(ccc4n3CC5CN(C5)S(=O)(=O)c6cccc(c6)S(=O)(=O)O)C(=O)NC)C)[N+](=O)[O-]","InChI=1S/C29H29N7O9S2/c1-17-27(36(38)39)18(2)35(32-17)16-21-8-10-26(45-21)28-31-24-11-20(29(37)30-3)7-9-25(24)34(28)15-19-13-33(14-19)46(40,41)22-5-4-6-23(12-22)47(42,43)44/h4-12,19H,13-16H2,1-3H3,(H,30,37)(H,42,43,44)","","2022-05-26","2024-09-27","3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid","2023-09-27"],["623","3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE)","C20 H18 F2 N5 O2","Fc3c(Oc1cc(C(=[N@H])N)ccc1)[nH+]c(Oc2cccc(C(=[N@H])N)c2)c(F)c3C;Cc1c(F)c(Oc2cccc(c2)C(N)=N)[nH+]c(Oc3cccc(c3)C(N)=N)c1F;[H]N=C(c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)C(=N[H])N)F)C)F)N","InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+1","ZK-805623","1999-07-08","2020-06-17","2,6-bis(3-carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridinium",""],["HJ7","(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid","C7 H6 O7","C(C=C(CC(O)=O)C(O)=O)(=O)C(O)=O;OC(=O)CC(=CC(=O)C(O)=O)C(O)=O;C(C(=CC(=O)C(=O)O)C(=O)O)C(=O)O","InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1-","(3Z)-2-keto-4-carboxy-3-hexenedioate","2018-07-03","2020-06-17","(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid","2018-09-26"],["HJ8","(2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid","C7 H12 N4 O3","CCn1nnc(O)c1C[CH](N)C(O)=O;CCn1c(c(nn1)O)CC(C(=O)O)N","InChI=1S/C7H12N4O3/c1-2-11-5(6(12)9-10-11)3-4(8)7(13)14/h4,12H,2-3,8H2,1H3,(H,13,14)/t4-/m0/s1","","2018-12-07","2019-04-12","(2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid","2019-04-17"],["624","2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE","C24 H28 Cl2 N8 O3 S","O=C(c1nccs1)C(NC(=O)CN2C(=NC=C(NC(C)C)C2=O)c3ccc(Cl)c(Cl)c3)CCCNC(=[N@H])N;CC(C)NC1=CN=C(N(CC(=O)N[CH](CCCNC(N)=N)C(=O)c2sccn2)C1=O)c3ccc(Cl)c(Cl)c3;[H]N=C(N)NCCCC(C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl","InChI=1S/C24H28Cl2N8O3S/c1-13(2)32-18-11-31-21(14-5-6-15(25)16(26)10-14)34(23(18)37)12-19(35)33-17(4-3-7-30-24(27)28)20(36)22-29-8-9-38-22/h5-6,8-11,13,17,32H,3-4,7,12H2,1-2H3,(H,33,35)(H4,27,28,30)/t17-/m0/s1","","2005-06-22","2024-09-27","N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]-2-[2-(3,4-dichlorophenyl)-5-[(1-methylethyl)amino]-6-oxopyrimidin-1(6H)-yl]acetamide",""],["625","4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile","C26 H23 Cl N4 O","Nc1cccc(Cn2c(ccc2c3ccccc3Cl)c4ccc(OCCCC#N)cc4)n1;c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl","InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30)","","2010-01-20","2011-06-04","4-[4-[1-[(6-azanylpyridin-2-yl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenoxy]butanenitrile",""],["HJ9","[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid","C23 H21 B N4 O5","COc1cc(B(O)O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C;B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O","InChI=1S/C23H21BN4O5/c1-28(2)23(30)15-4-13(8-25-9-15)14-5-18-19(11-27-22(18)26-10-14)17-6-16(12-29)20(24(31)32)7-21(17)33-3/h4-12,31-32H,1-3H3,(H,26,27)","","2021-01-13","2024-09-27","[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid","2021-06-09"],["HJA","(2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid","C14 H26 N2 O3 S","NCC(C(=O)S)NC(OCCCCC1CCCCC1)=O;NC[CH](NC(=O)OCCCCC1CCCCC1)C(S)=O;C1CCC(CC1)CCCCOC(=O)NC(CN)C(=O)S","InChI=1S/C14H26N2O3S/c15-10-12(13(17)20)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10,15H2,(H,16,18)(H,17,20)/t12-/m0/s1","","2018-07-03","2024-09-27","(2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid","2018-09-26"],["626","4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE","C23 H24 N6 O2 S","O=C(n4cc3nnc(NC(=O)c2ccc(N1CCN(C)CC1)cc2)c3c4)Cc5sccc5;CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3n[nH]c4cn(cc34)C(=O)Cc5sccc5;CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5","InChI=1S/C23H24N6O2S/c1-27-8-10-28(11-9-27)17-6-4-16(5-7-17)23(31)24-22-19-14-29(15-20(19)25-26-22)21(30)13-18-3-2-12-32-18/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,24,26,31)","","2006-09-08","2011-06-04","4-(4-methylpiperazin-1-yl)-N-[5-(thiophen-2-ylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide",""],["627","N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE","C26 H30 N6 O3","O=C(n4cc3c(N=N/C3=N/C(=O)c1ccc(cc1)N2CCN(C)CC2)c4)C(OC)c5ccccc5;CO[CH](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5;CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC","InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1","Danusertib; PHA-739358","2006-09-08","2020-06-17","N-[(3E)-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide",""],["HJB","3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid","C10 H12 B O5","OC(=O)CCc1cccc2CO[B-](O)(O)c12;[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O","InChI=1S/C10H12BO5/c12-9(13)5-4-7-2-1-3-8-6-16-11(14,15)10(7)8/h1-3,14-15H,4-6H2,(H,12,13)/q-1","","2018-12-07","2019-11-15","3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid","2019-11-20"],["HJD","N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide","C8 H14 N4 O","n1c(CCNC(CCN)=O)cnc1;NCCC(=O)NCCc1[nH]cnc1;c1c([nH]cn1)CCNC(=O)CCN","InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)","","2018-07-03","2019-01-25","N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide","2019-01-30"],["628","4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE","C20 H14 Cl2 N4 O3 S","O=S(=O)(N)c1ccc(cc1)Nc2nc3ccc(cn3c2)C(=O)c4c(Cl)cccc4Cl;N[S](=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c4c(Cl)cccc4Cl)cc1;c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl","InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)","PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE","2005-02-15","2021-03-13","4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]pyridin-2-yl}amino)benzenesulfonamide",""],["HJF","5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine","C19 H22 N4 O3","COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[CH]4COC(C)(C)C4;CC1(CC(CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C","InChI=1S/C19H22N4O3/c1-19(2)8-13(11-26-19)17-15(24-3)10-23-18(22-17)14(9-21-23)12-5-6-20-16(7-12)25-4/h5-7,9-10,13H,8,11H2,1-4H3/t13-/m1/s1","","2021-01-14","2021-06-11","5-[(3~{S})-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine","2021-06-16"],["629","[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID","C17 H25 N3 O9","O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO;N[CH](Cc1ccc(O)cc1)C(=O)N[CH]([CH]2[CH](O)[C](O)(CO)[CH](O)CN2O)C(O)=O;c1cc(ccc1CC(C(=O)NC(C2C(C(C(CN2O)O)(CO)O)O)C(=O)O)N)O","InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1","SB-239629","2001-07-05","2021-03-01","(2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoic acid",""],["HJG","2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol","C18 H18 Cl N3 O","c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl;CC(C)(O)c1cccn2c1nnc2C3(CC3)c4ccc(Cl)cc4;CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O","InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3","","2018-07-05","2018-12-14","2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol","2018-12-19"],["62A","2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE","C22 H26 N8 O3 S","O=C(c1nccs1)C(NC(=O)CN2C(=NC=C(N)C2=O)c3cccc(c3)C)CCCNC(=[N@H])N;Cc1cccc(c1)C2=NC=C(N)C(=O)N2CC(=O)N[CH](CCCNC(N)=N)C(=O)c3sccn3;[H]N=C(N)NCCCC(C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C","InChI=1S/C22H26N8O3S/c1-13-4-2-5-14(10-13)19-28-11-15(23)21(33)30(19)12-17(31)29-16(6-3-7-27-22(24)25)18(32)20-26-8-9-34-20/h2,4-5,8-11,16H,3,6-7,12,23H2,1H3,(H,29,31)(H4,24,25,27)/t16-/m0/s1","","2005-06-03","2024-09-27","2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide",""],["HJH","(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid","C6 H10 N4 O3","Cn1nc(O)c(C[CH](N)C(O)=O)n1;Cn1nc(c(n1)O)CC(C(=O)O)N","InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1","","2018-12-10","2019-04-12","(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid","2019-04-17"],["62B","Lefamulin","C28 H45 N O5 S","C1(C(C(CC(C3(C)C2C(CCC12CCC3C)=O)OC(CSC4CCC(CC4O)N)=O)(C)C=C)O)C;C[CH]1CC[C]23CCC(=O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3C)OC(=O)CS[CH]4CC[CH](N)C[CH]4O;CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C","InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1","","2016-01-15","2016-12-16","(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(1R,2R,4R)-4-amino-2-hydroxycyclohexyl]sulfanyl}acetate","2016-12-21"],["62C","2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose","C15 H17 Cl2 N O6","C2(C(CO)OC(C(NC(=O)C=Cc1ccc(c(c1)Cl)Cl)C2O)O)O;OC[CH]1O[CH](O)[CH](NC(=O)C=Cc2ccc(Cl)c(Cl)c2)[CH](O)[CH]1O;c1cc(c(cc1C=CC(=O)NC2C(C(C(OC2O)CO)O)O)Cl)Cl","InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15+/m1/s1","","2016-01-15","2016-03-25","2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose","2016-03-30"],["HJI","(2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","C19 H24 F2 N4 O4","CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F;CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C(F)F)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(C(F)F)C(=O)O","InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m0/s1","","2022-01-03","2022-02-04","(2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","2022-02-09"],["HJJ","4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one","C21 H22 O4","c1(c3c(cc2OC(C=Cc12)=O)occ3)OCC=C(/C)CC/C=C(C)C;CC(C)=CCCC(C)=CCOc1c2ccoc2cc3OC(=O)C=Cc13;CC(=CCCC(=CCOc1c2ccoc2cc3c1C=CC(=O)O3)C)C","InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+","","2018-07-05","2018-09-28","4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one","2018-10-03"],["62D","6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C12 H14 N6 O","O=C2c3cc1nc(NC)nc1cc3N=C(NCC)N2;CCNC1=Nc2cc3[nH]c(NC)nc3cc2C(=O)N1;CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC","InChI=1S/C12H14N6O/c1-3-14-12-15-7-5-9-8(16-11(13-2)17-9)4-6(7)10(19)18-12/h4-5H,3H2,1-2H3,(H2,13,16,17)(H2,14,15,18,19)","","2011-09-13","2012-07-13","6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["HJK","2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid","C13 H11 N5 O2","Nc1nc2[nH]cnc2c(n1)c3cccc(CC(O)=O)c3;c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O","InChI=1S/C13H11N5O2/c14-13-17-10(11-12(18-13)16-6-15-11)8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18)","","2018-12-10","2019-03-15","2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid","2019-03-20"],["62E","1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea","C26 H28 N8 O S3","c3c2c(nc(NC(NCCC1CCN(CC1)CC)=O)s2)ccc3Sc5nnc6ccc(c4cccs4)nn56;CCN1CCC(CCNC(=O)Nc2sc3cc(Sc4nnc5ccc(nn45)c6sccc6)ccc3n2)CC1;CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6","InChI=1S/C26H28N8OS3/c1-2-33-13-10-17(11-14-33)9-12-27-24(35)29-25-28-19-6-5-18(16-22(19)38-25)37-26-31-30-23-8-7-20(32-34(23)26)21-4-3-15-36-21/h3-8,15-17H,2,9-14H2,1H3,(H2,27,28,29,35)","","2016-01-15","2016-11-18","1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea","2016-11-23"],["62F","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C33 H45 N9 O20 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c6nc(O)nc(O)c6N([CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)c2cc1C;Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)C7C(C(C(C(O7)CO)O)O)O","InChI=1S/C33H45N9O20P2/c1-11-3-13-14(4-12(11)2)42(32-26(51)24(49)22(47)17(6-43)60-32)20-29(38-33(53)39-30(20)52)40(13)5-15(44)21(46)16(45)7-58-63(54,55)62-64(56,57)59-8-18-23(48)25(50)31(61-18)41-10-37-19-27(34)35-9-36-28(19)41/h3-4,9-10,15-18,21-26,31-32,43-51H,5-8H2,1-2H3,(H,54,55)(H,56,57)(H2,34,35,36)(H2,38,39,52,53)/t15-,16+,17+,18+,21-,22-,23+,24-,25+,26+,31+,32+/m0/s1","","2016-01-15","2016-02-12","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2016-02-17"],["HJL","[(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C9 H18 N5 O8 P","NC1=NC(=O)C(=C(NC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)N1)N;C(C(C(C(COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N","InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1","","2021-01-14","2021-07-09","[(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-4-oxidanylidene-1~{H}-pyrimidin-6-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2021-07-14"],["HJM","(5beta)-12-methoxyibogamine","C20 H26 N2 O","N14CC2CC(C1C(C2)c3nc5c(c3CC4)cc(OC)cc5)CC;CC[CH]1C[CH]2C[CH]3[CH]1[N](CCc4c3[nH]c5ccc(OC)cc45)C2;CCC1CC2CC3C1N(C2)CCc4c3[nH]c5c4cc(cc5)OC","InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1","","2018-07-06","2019-04-19","(5beta)-12-methoxyibogamine","2019-04-24"],["62G","CPI-0610","C20 H16 Cl N3 O2","n1c(c2c(o1)C(CC(N)=O)N=C(c3c2cccc3)c4ccc(cc4)Cl)C;Cc1noc2[CH](CC(N)=O)N=C(c3ccc(Cl)cc3)c4ccccc4c12;Cc1c-2c(on1)C(N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N","InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1","2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide","2016-01-15","2021-03-13","2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide","2016-02-10"],["HJN","[(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","C27 H39 N4 O9 P","CC(C)=CCCC(C)=CCN1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C1C(=O)NC(=O)N3;Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)CCC=C(C)C)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C27H39N4O9P/c1-15(2)7-6-8-16(3)9-10-30-19-11-17(4)18(5)12-20(19)31(25-23(30)26(35)29-27(36)28-25)13-21(32)24(34)22(33)14-40-41(37,38)39/h7,9,11-12,21-22,24,32-34H,6,8,10,13-14H2,1-5H3,(H2,37,38,39)(H2,28,29,35,36)/b16-9-/t21-,22+,24-/m0/s1","","2019-02-01","2019-05-30","[(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2019-06-05"],["62H","(2S)-3-amino-2-methylpropanoic acid","C4 H9 N O2","NCC(C(=O)O)C;C[CH](CN)C(O)=O;CC(CN)C(=O)O","InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","2016-01-15","2024-09-27","(2S)-3-amino-2-methylpropanoic acid","2016-02-24"],["62I","(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol","C13 H24 N2 O11 S2","C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N;CC(=O)OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[S](=O)(=O)N2CC[CH](CC2)O[S](N)(=O)=O;CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O","InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1","","2015-05-21","2020-07-17","(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol","2015-08-26"],["HJO","N-[(1R,2R,3R,4S,5S)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide","C21 H41 N5 O8","CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3O[CH](CN)CC[CH]3N)[CH](N)C[CH]2NC(C)=O;CC(=O)NC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CCC(O3)CN)N)N","InChI=1S/C21H41N5O8/c1-9(27)26-13-6-12(24)16(33-19-11(23)5-4-10(7-22)32-19)14(28)17(13)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11+,12-,13+,14+,15+,16-,17+,18+,19+,20+,21-/m0/s1","","2021-01-15","2022-01-21","~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2~{R},3~{R},4~{R})-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide","2022-01-26"],["HJP","3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid","C7 H6 O5","O=C(O)C=1OC(C)=CC(C=1O)=O;CC1=CC(=O)C(=C(O1)C(O)=O)O;CC1=CC(=O)C(=C(O1)C(=O)O)O","InChI=1S/C7H6O5/c1-3-2-4(8)5(9)6(12-3)7(10)11/h2,9H,1H3,(H,10,11)","","2018-07-08","2018-11-02","3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid","2018-11-07"],["62J","methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate","C20 H25 N O2 S","C1C(C(=O)OC)CCC(C1)CNCc3cc(c2ccsc2)ccc3;COC(=O)[CH]1CC[CH](CC1)CNCc2cccc(c2)c3cscc3;COC(=O)C1CCC(CC1)CNCc2cccc(c2)c3ccsc3","InChI=1S/C20H25NO2S/c1-23-20(22)17-7-5-15(6-8-17)12-21-13-16-3-2-4-18(11-16)19-9-10-24-14-19/h2-4,9-11,14-15,17,21H,5-8,12-13H2,1H3/t15-,17+","","2016-01-17","2023-02-03","methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate","2023-02-08"],["HJQ","(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine","C18 H28 F N3","CN1CCN(C)[CH](CCN2CC[CH](C2)c3ccc(F)cc3)C1;CN1CCN(C(C1)CCN2CCC(C2)c3ccc(cc3)F)C","InChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1","","2018-12-10","2019-10-11","(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine","2019-10-16"],["62K","2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate","C19 H20 N4 O5 S","O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)OCC(C)C;CC(C)COC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)[S](N)(=O)=O)c2c1;CC(C)COC(=O)c1ccc2c(c1)C(=NNc3ccc(cc3)S(=O)(=O)N)C(=O)N2","InChI=1S/C19H20N4O5S/c1-11(2)10-28-19(25)12-3-8-16-15(9-12)17(18(24)21-16)23-22-13-4-6-14(7-5-13)29(20,26)27/h3-9,11,22H,10H2,1-2H3,(H2,20,26,27)(H,21,23,24)","","2011-07-15","2013-05-03","2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate","2013-05-08"],["HJR","N-[(1R,2R,3R,4S,5R)-4-[(2R,6S)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,4S,5R}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide","C20 H37 F3 N4 O8 S","CN[CH]1C[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3CCC[CH](CN)O3)[CH](N)C[CH]2N[S](=O)(=O)C(F)(F)F;CC1(COC(CC1NC)OC2C(CC(C(C2O)OC3CCCC(O3)CN)N)NS(=O)(=O)C(F)(F)F)O","InChI=1S/C20H37F3N4O8S/c1-19(29)9-32-15(7-13(19)26-2)35-18-12(27-36(30,31)20(21,22)23)6-11(25)17(16(18)28)34-14-5-3-4-10(8-24)33-14/h10-18,26-29H,3-9,24-25H2,1-2H3/t10-,11+,12+,13-,14+,15+,16+,17-,18+,19-/m0/s1","","2021-01-15","2022-01-07","~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[(2~{R},6~{S})-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2~{R},4~{S},5~{R})-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide","2022-01-12"],["62L","4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid","C16 H17 N O4 S","c2ccc(C)c(Nc1c(C(O)=O)ccc(c1)C)c2S(=O)(=O)C;Cc1ccc(C(O)=O)c(Nc2c(C)cccc2[S](C)(=O)=O)c1;Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O","InChI=1S/C16H17NO4S/c1-10-7-8-12(16(18)19)13(9-10)17-15-11(2)5-4-6-14(15)22(3,20)21/h4-9,17H,1-3H3,(H,18,19)","","2015-05-06","2016-05-06","4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid","2016-05-11"],["HJT","(2~{S})-2-azanyl-4-sulfo-butanoic acid","C4 H9 N O5 S","N[CH](CC[S](O)(=O)=O)C(O)=O;C(CS(=O)(=O)O)C(C(=O)O)N","InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1","","2018-12-11","2019-06-07","(2~{S})-2-azanyl-4-sulfo-butanoic acid","2019-06-12"],["62M","[6-hydroxy-3-(3-methylbenzyl)-1H-indazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone","C20 H21 N3 O3","C1(CCN(C1)C(c4cc3c(Cc2cc(ccc2)C)nnc3cc4O)=O)O;Cc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N4CC[CH](O)C4)c1;Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CCC(C4)O","InChI=1S/C20H21N3O3/c1-12-3-2-4-13(7-12)8-17-15-9-16(19(25)10-18(15)22-21-17)20(26)23-6-5-14(24)11-23/h2-4,7,9-10,14,24-25H,5-6,8,11H2,1H3,(H,21,22)/t14-/m0/s1","","2016-01-18","2016-04-22","[6-hydroxy-3-(3-methylbenzyl)-1H-indazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone","2016-04-27"],["HJV","N~2~-methyl-D-glutamine","C6 H12 N2 O3","CNC(CCC(=O)N)C(=O)O;CN[CH](CCC(N)=O)C(O)=O;CNC(CCC(=O)N)C(=O)O","InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m1/s1","","2018-07-09","2024-09-27","N~2~-methyl-D-glutamine","2018-10-17"],["62N","N-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-D-glucopyranosylamine","C15 H17 F3 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2)C(F)(F)F;OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)C(F)(F)F)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)C(F)(F)F","InChI=1S/C15H17F3N2O7/c16-15(17,18)7-3-1-6(2-4-7)12(25)19-14(26)20-13-11(24)10(23)9(22)8(5-21)27-13/h1-4,8-11,13,21-24H,5H2,(H2,19,20,25,26)/t8-,9-,10+,11-,13-/m1/s1","","2012-11-22","2013-12-06","N-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-D-glucopyranosylamine","2013-12-11"],["62O","6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole","C11 H10 N4 O","c12c(ccc(OC)c1)nc(n2)c3ccnn3;COc1ccc2nc([nH]c2c1)c3[nH]ncc3;COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3","InChI=1S/C11H10N4O/c1-16-7-2-3-8-10(6-7)14-11(13-8)9-4-5-12-15-9/h2-6H,1H3,(H,12,15)(H,13,14)","","2016-01-18","2016-06-03","6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole","2016-06-08"],["HJW","ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate","C17 H18 Cl N O3 S","CCOC(=O)[CH](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl;CCOC(=O)C(C)N(c1c(cccc1Cl)C)C(=O)c2cccs2","InChI=1S/C17H18ClNO3S/c1-4-22-17(21)12(3)19(16(20)14-9-6-10-23-14)15-11(2)7-5-8-13(15)18/h5-10,12H,4H2,1-3H3/t12-/m0/s1","","2018-12-11","2019-11-22","ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate","2019-11-27"],["62P","6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE","C13 H9 Cl N2 O4 S","O=C1C=CC(=NN1)S(=O)(=O)c3oc2ccc(Cl)cc2c3C;Cc1c2cc(Cl)ccc2oc1[S](=O)(=O)C3=NNC(=O)C=C3;Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl","InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)","","2005-04-04","2011-06-04","6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one",""],["HJX","2-hydroxy-6-(tetradecyloxy)benzoic acid","C21 H34 O4","O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC;CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O;CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O","InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)","BPH-981","2011-06-17","2020-06-17","2-hydroxy-6-(tetradecyloxy)benzoic acid","2019-02-27"],["HJY","4-iodo-N-methyl-D-phenylalanine","C10 H12 I N O2","CNC(Cc1ccc(I)cc1)C(O)=O;CN[CH](Cc1ccc(I)cc1)C(O)=O;CNC(Cc1ccc(cc1)I)C(=O)O","InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1","","2018-07-09","2024-09-27","4-iodo-N-methyl-D-phenylalanine","2018-10-17"],["62Q","{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone","C35 H38 F6 N4 O5","FC(F)(F)c5ccc(OC1(CCCN(C1CCC)C(=O)c2c(ccnc2)C(F)(F)F)C(N4CCN(c3c(cccc3)OCCO)CC4)=O)cc5;CCC[CH]1N(CCC[C]1(Oc2ccc(cc2)C(F)(F)F)C(=O)N3CCN(CC3)c4ccccc4OCCO)C(=O)c5cnccc5C(F)(F)F;CCCC1C(CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F","InChI=1S/C35H38F6N4O5/c1-2-6-30-33(50-25-11-9-24(10-12-25)34(36,37)38,14-5-16-45(30)31(47)26-23-42-15-13-27(26)35(39,40)41)32(48)44-19-17-43(18-20-44)28-7-3-4-8-29(28)49-22-21-46/h3-4,7-13,15,23,30,46H,2,5-6,14,16-22H2,1H3/t30-,33+/m1/s1","","2016-01-18","2016-04-01","{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone","2016-04-06"],["HJZ","3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid","C24 H24 O2 S","O=C(O)c3sc(cc3c1c(cccc1)C2CCC(C)CC2)c4ccccc4;C[CH]1CC[CH](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4;CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4","InChI=1S/C24H24O2S/c1-16-11-13-17(14-12-16)19-9-5-6-10-20(19)21-15-22(27-23(21)24(25)26)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3,(H,25,26)/t16-,17-","","2010-04-02","2011-06-04","3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid",""],["62R","4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid","C35 H38 F6 N4 O6 S","c1(ccccc1N5CCN(C(=O)C3(CCCN(C(=O)c2c(ccnc2)C(F)(F)F)C3CCC)Oc4csc(C(F)(F)F)c4)CC5)OCCCC(=O)O;CCC[CH]1N(CCC[C]1(Oc2csc(c2)C(F)(F)F)C(=O)N3CCN(CC3)c4ccccc4OCCCC(O)=O)C(=O)c5cnccc5C(F)(F)F;CCCC1C(CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F","InChI=1S/C35H38F6N4O6S/c1-2-7-28-33(51-23-20-29(52-22-23)35(39,40)41,12-6-14-45(28)31(48)24-21-42-13-11-25(24)34(36,37)38)32(49)44-17-15-43(16-18-44)26-8-3-4-9-27(26)50-19-5-10-30(46)47/h3-4,8-9,11,13,20-22,28H,2,5-7,10,12,14-19H2,1H3,(H,46,47)/t28-,33+/m1/s1","","2016-01-18","2016-04-01","4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid","2016-04-06"],["HK0","3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","C26 H26 N4 O6","[O-][N+](=O)c1ccc(cc1OC)c4ccc5C(=O)Nc3cccc(OCCN2CCOCC2)c3Nc5c4;COc1cc(ccc1[N+]([O-])=O)c2ccc3C(=O)Nc4cccc(OCCN5CCOCC5)c4Nc3c2;COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O","InChI=1S/C26H26N4O6/c1-34-24-16-18(6-8-22(24)30(32)33)17-5-7-19-21(15-17)27-25-20(28-26(19)31)3-2-4-23(25)36-14-11-29-9-12-35-13-10-29/h2-8,15-16,27H,9-14H2,1H3,(H,28,31)","","2012-07-02","2012-09-28","3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","2012-09-28"],["62S","[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid","C31 H35 N4 O6 P","N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2onc(c2)c3ccccc3O)C(=O)N[CH](Cc4ccccc4)C(N)=O;c1ccc(cc1)CCC(N)P(=O)(CC(Cc2cc(no2)c3ccccc3O)C(=O)NC(Cc4ccccc4)C(=O)N)O","InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1","","2021-07-23","2022-01-21","[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid","2022-01-26"],["HK1","4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol","C18 H16 N2 O3","Oc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(OC)cc3C4;COc1cc2Cc3c([nH]nc3c2cc1OC)c4ccc(O)cc4;COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2","InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)","","2012-06-28","2012-08-17","4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol",""],["62T","{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone","C33 H36 F6 N4 O5 S","C1(CCCN(C1CCC)C(=O)c2c(C(F)(F)F)ccnc2)(Oc3cc(C(F)(F)F)sc3)C(N4CCN(CC4)c5ccccc5OCCO)=O;CCC[CH]1N(CCC[C]1(Oc2csc(c2)C(F)(F)F)C(=O)N3CCN(CC3)c4ccccc4OCCO)C(=O)c5cnccc5C(F)(F)F;CCCC1C(CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F","InChI=1S/C33H36F6N4O5S/c1-2-6-27-31(48-22-19-28(49-21-22)33(37,38)39,10-5-12-43(27)29(45)23-20-40-11-9-24(23)32(34,35)36)30(46)42-15-13-41(14-16-42)25-7-3-4-8-26(25)47-18-17-44/h3-4,7-9,11,19-21,27,44H,2,5-6,10,12-18H2,1H3/t27-,31+/m1/s1","","2016-01-18","2016-04-01","{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone","2016-04-06"],["HK2","(1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate","C24 H28 N3 O6","O[CH]1[CH](O)[CH]([O-])[CH](O)[CH](Cn2cc(CCCOc3ccc(cc3)c4ccccc4)nn2)[CH]1O;c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4C(C(C(C(C4O)[O-])O)O)O","InChI=1S/C24H28N3O6/c28-20-19(21(29)23(31)24(32)22(20)30)14-27-13-17(25-26-27)7-4-12-33-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,19-24,28-30,32H,4,7,12,14H2/q-1/t19-,20-,21-,22+,23+,24-/m1/s1","","2018-12-12","2024-09-27","(1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate","2019-03-27"],["62U","(8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate","C33 H42 N2 O10","O=C2C3=C(OC)C(=O)C(c1occc1)=C2NC(=O)C(=C)CCCC(OC)C(OC(=O)N)C(=C)CC(=C)C(O)C(OC)CC(C)C3;CO[CH]1C[CH](C)CC2=C(OC)C(=O)C(=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O)c3occc3;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C33H42N2O10/c1-17-14-21-28(37)26(25(22-12-9-13-44-22)29(38)31(21)43-7)35-32(39)18(2)10-8-11-23(41-5)30(45-33(34)40)20(4)16-19(3)27(36)24(15-17)42-6/h9,12-13,17,23-24,27,30,36H,2-4,8,10-11,14-16H2,1,5-7H3,(H2,34,40)(H,35,39)/t17-,23+,24+,27-,30-/m1/s1","","2012-05-01","2013-03-29","(8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate","2013-04-03"],["62V","6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine","C18 H13 Cl N2 O","c1c(ccc(c1)Cl)C=2c4c(c3c(CN=2)onc3C)cccc4;Cc1noc2CN=C(c3ccc(Cl)cc3)c4ccccc4c12;Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl","InChI=1S/C18H13ClN2O/c1-11-17-14-4-2-3-5-15(14)18(20-10-16(17)22-21-11)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3","","2016-01-18","2016-02-05","6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine","2016-02-10"],["HK3","4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol","C24 H18 N2 O3","Oc1ccc(cc1)c5ccc(C=3N=NC4=C2C(C=C(OC)C(OC)=C2)=CC=34)cc5;COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(O)cc5;COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O","InChI=1S/C24H18N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-13,27H,1-2H3","","2012-07-02","2012-08-17","4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol",""],["HK4","4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol","C21 H18 N2 O4","Oc4ccc(C#Cc1c3c(nn1)c2cc(OC)c(OC)cc2C3)cc4OC;COc1cc(ccc1O)C#Cc2[nH]nc3c2Cc4cc(OC)c(OC)cc34;COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC","InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)","","2012-07-02","2012-08-17","4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol",""],["62W","L-glucitol","C6 H14 O6","OCC(O)C(O)C(O)C(CO)O;OC[CH](O)[CH](O)[CH](O)[CH](O)CO;C(C(C(C(C(CO)O)O)O)O)O","InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1","L-sorbitol; D-gulitol","2016-01-18","2020-06-17","L-glucitol","2016-02-03"],["HK5","4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile","C22 H17 N5 O","N#Cc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(cc3C4)Cn5ccnc5;COc1cc2c(Cc3c([nH]nc23)c4ccc(cc4)C#N)cc1Cn5ccnc5;COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N","InChI=1S/C22H17N5O/c1-28-20-10-18-16(8-17(20)12-27-7-6-24-13-27)9-19-21(25-26-22(18)19)15-4-2-14(11-23)3-5-15/h2-8,10,13H,9,12H2,1H3,(H,25,26)","","2012-07-02","2012-08-17","4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile",""],["62X","5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine","C19 H32 N8 O5","C(N(C)C)CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O;CN(C)CCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CN(C)CCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C19H32N8O5/c1-25(2)5-3-6-26(7-4-11(20)19(30)31)8-12-14(28)15(29)18(32-12)27-10-24-13-16(21)22-9-23-17(13)27/h9-12,14-15,18,28-29H,3-8,20H2,1-2H3,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1","","2016-01-18","2016-03-25","5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine","2016-03-30"],["62Y","3-bromophenyl hydrogen (S)-phenylphosphonate","C12 H10 Br O3 P","Brc2cc(OP(=O)(O)c1ccccc1)ccc2;O[P](=O)(Oc1cccc(Br)c1)c2ccccc2;c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br","InChI=1S/C12H10BrO3P/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,(H,14,15)","","2014-04-08","2015-04-17","3-bromophenyl hydrogen (S)-phenylphosphonate","2015-04-22"],["HK6","8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","C13 H9 Cl N2 O","Clc3cc1c(Nc2c(C(=O)N1)cccc2)cc3;Clc1ccc2Nc3ccccc3C(=O)Nc2c1;c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl","InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)","","2012-07-02","2012-08-17","8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one",""],["HK7","2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide","C20 H15 N3 O2","O=C(N)c1ccccc1c4cc3Nc2c(cccc2)NC(=O)c3cc4;NC(=O)c1ccccc1c2ccc3C(=O)Nc4ccccc4Nc3c2;c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N","InChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25)","","2012-07-02","2012-08-17","2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide",""],["630","1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one","C19 H24 Cl N7 O3","N(c1cn(nc1)C)c3nc(OCC2C(CN(C(CC)=O)C2)OC)c4c(n3)ncc4Cl;CCC(=O)N1C[CH](COc2nc(Nc3cnn(C)c3)nc4[nH]cc(Cl)c24)[CH](C1)OC;CCC(=O)N1CC(C(C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl","InChI=1S/C19H24ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h5-6,8,11,14H,4,7,9-10H2,1-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1","Bound form of PF-06459988; 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one","2016-01-18","2024-09-27","1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one","2016-01-27"],["631","(1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one","C29 H28 N4 O2","O=C2Nc1ccc(OC)cc1C26CC6c4ccc5c(C=Cc3ccc(cc3)CN(C)C)nnc5c4;COc1ccc2NC(=O)[C]3(C[CH]3c4ccc5c([nH]nc5c4)C=Cc6ccc(CN(C)C)cc6)c2c1;CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3n[nH]2)C4CC45c6cc(ccc6NC5=O)OC","InChI=1S/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/m0/s1","","2013-04-03","2014-03-28","(1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one","2014-04-02"],["HK8","(3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid","C15 H11 Cl N2 O3","O=C(O)Cc3cc1c(Nc2c(C(=O)N1)ccc(Cl)c2)cc3;OC(=O)Cc1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1;c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl","InChI=1S/C15H11ClN2O3/c16-9-2-3-10-12(7-9)17-11-4-1-8(6-14(19)20)5-13(11)18-15(10)21/h1-5,7,17H,6H2,(H,18,21)(H,19,20)","","2012-07-02","2012-08-17","(3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid",""],["HK9","2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid","C21 H16 N2 O4","O=C(O)c1ccc(cc1OC)c4cc3Nc2c(cccc2)NC(=O)c3cc4;COc1cc(ccc1C(O)=O)c2ccc3C(=O)Nc4ccccc4Nc3c2;COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O","InChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26)","","2012-07-02","2012-08-17","2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid",""],["632","2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE","C23 H28 N8 O3 S2","O=C(c1nccs1)C(NC(=O)CN3C(SC)=NC=C(NCc2ccccc2)C3=O)CCCNC(=[N@H])N;CSC1=NC=C(NCc2ccccc2)C(=O)N1CC(=O)N[CH](CCCNC(N)=N)C(=O)c3sccn3;[H]N=C(N)NCCCC(C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3","InChI=1S/C23H28N8O3S2/c1-35-23-29-13-17(28-12-15-6-3-2-4-7-15)21(34)31(23)14-18(32)30-16(8-5-9-27-22(24)25)19(33)20-26-10-11-36-20/h2-4,6-7,10-11,13,16,28H,5,8-9,12,14H2,1H3,(H,30,32)(H4,24,25,27)/t16-/m0/s1","","2005-06-03","2024-09-27","2-[5-(benzylamino)-2-(methylsulfanyl)-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide",""],["HKA","3-METHOXY-4-PHENOXYBENZOIC ACID","C14 H12 O4","O=C(O)c2cc(OC)c(Oc1ccccc1)cc2;COc1cc(ccc1Oc2ccccc2)C(O)=O;COc1cc(ccc1Oc2ccccc2)C(=O)O","InChI=1S/C14H12O4/c1-17-13-9-10(14(15)16)7-8-12(13)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)","","2011-12-13","2014-09-05","3-methoxy-4-phenoxybenzoic acid","2012-12-21"],["633","N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide","C26 H29 N7 O2","c12c(nc(nc1ncc2)Nc4ccc(N3CCN(CC3)C)cc4)Oc5cc(NC(CC)=O)ccc5;CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3)N4CCN(C)CC4)nc5[nH]ccc25)c1;CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C","InChI=1S/C26H29N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h4-12,17H,3,13-16H2,1-2H3,(H,28,34)(H2,27,29,30,31)","Bound form of\nN-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide","2016-01-18","2024-09-27","N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide","2016-02-03"],["HKB","~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide","C22 H18 N2 O6 S","CN(C)c1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O;CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O","InChI=1S/C22H18N2O6S/c1-24(2)12-7-9-13(10-8-12)31(29,30)23-17-11-16-18(22(28)21(17)27)20(26)15-6-4-3-5-14(15)19(16)25/h3-11,23,27-28H,1-2H3","","2017-08-15","2018-11-30","~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide","2018-12-05"],["634","N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide","C19 H19 N7 O2","c23c(nc(Nc1cn(C)nc1)nc2ncc3)Oc4cc(NC(CC)=O)ccc4;CCC(=O)Nc1cccc(Oc2nc(Nc3cnn(C)c3)nc4[nH]ccc24)c1;CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C","InChI=1S/C19H19N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h4-11H,3H2,1-2H3,(H,22,27)(H2,20,23,24,25)","Bound form of N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide","2016-01-18","2024-09-27","N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide","2016-02-03"],["HKC","6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole","C19 H16 N6 O2","n1nnnc1c5ccc(c4nnc3c2cc(OC)c(OC)cc2Cc34)cc5;COc1cc2Cc3c([nH]nc3c4ccc(cc4)c5[nH]nnn5)c2cc1OC;COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2","InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)","","2012-07-02","2012-08-17","6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole",""],["635","1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate","C32 H38 F N3 O5","CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3cc(F)ccc23)C(=O)c4ccc(OCCCN5CCOCC5)cc4;CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5","InChI=1S/C32H38FN3O5/c1-21(2)41-31(38)26-19-36(20-32(3,4)28-25-11-8-23(33)18-27(25)34-29(26)28)30(37)22-6-9-24(10-7-22)40-15-5-12-35-13-16-39-17-14-35/h6-11,18-19,21,34H,5,12-17,20H2,1-4H3","","2009-12-17","2011-06-04","propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate",""],["636","2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid","C16 H15 N O4","O=C(O)c2c(Nc1c(cccc1C(=O)O)C)cc(cc2)C;Cc1ccc(C(O)=O)c(Nc2c(C)cccc2C(O)=O)c1;Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O","InChI=1S/C16H15NO4/c1-9-6-7-11(15(18)19)13(8-9)17-14-10(2)4-3-5-12(14)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21)","","2012-08-20","2013-08-09","2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid","2013-08-14"],["HKD","4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid","C9 H8 O5","OC(=O)C=1C=C(O)C(=O)C(=CC=1C)O;CC1=C(C=C(O)C(=O)C(=C1)O)C(O)=O;CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O","InChI=1S/C9H8O5/c1-4-2-6(10)8(12)7(11)3-5(4)9(13)14/h2-3H,1H3,(H,13,14)(H2,10,11,12)","","2018-07-09","2018-11-02","4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid","2018-11-07"],["HKE","propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate","C17 H17 Cl2 N O4","CC(C)OC(=O)[CH](C)N(C(=O)c1occc1)c2c(Cl)cccc2Cl;CC(C)OC(=O)C(C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2","InChI=1S/C17H17Cl2NO4/c1-10(2)24-17(22)11(3)20(16(21)14-8-5-9-23-14)15-12(18)6-4-7-13(15)19/h4-11H,1-3H3/t11-/m0/s1","","2018-12-12","2019-11-22","propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate","2019-11-27"],["637","N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide","C26 H24 F N5 O6","Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)C)C(O)C5O;Cc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O;Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O","InChI=1S/C26H24FN5O6/c1-13-20-24(30-11-29-13)32(12-31-20)26-23(36)22(35)19(38-26)3-2-8-28-25(37)17-9-15(10-18(33)21(17)34)14-4-6-16(27)7-5-14/h2-7,9-12,19,22-23,26,33-36H,8H2,1H3,(H,28,37)/b3-2+/t19-,22-,23-,26-/m1/s1","","2010-07-23","2011-06-04","6-methyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purine",""],["CFD","(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal","C8 H15 N O2","O=CC(C=C(/C)C(N)C)C;C[CH](N)C(C)=C[CH](C)C(O)=O;CC(C=C(C)C(C)N)C(=O)O","InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1","","2008-12-17","2024-09-27","(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal",""],["HKG","1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1\n-yl}ethan-1-one","C25 H25 N7 O2 S2","c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O;CC(=O)N1CCC(CC1)c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc5cccnc5C)n2;Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5","InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31)","AR453588","2018-07-09","2020-06-17","1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one","2019-07-10"],["HKH","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide","C23 H27 F N2 O4 S","CC(C)C[CH](NC(=O)c1ccc(cc1)c2sccc2)C(=O)N3C[CH](F)[CH]4OC[CH](O)[CH]34;CC(C)CC(C(=O)N1CC(C2C1C(CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4","InChI=1S/C23H27FN2O4S/c1-13(2)10-17(23(29)26-11-16(24)21-20(26)18(27)12-30-21)25-22(28)15-7-5-14(6-8-15)19-4-3-9-31-19/h3-9,13,16-18,20-21,27H,10-12H2,1-2H3,(H,25,28)/t16-,17-,18-,20+,21+/m0/s1","","2019-02-01","2024-09-27","~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide","2020-02-19"],["CFE","(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol","C11 H16 N4 O5","OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23;c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNCC2O","InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1","Coformycin","2010-01-26","2021-03-01","(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol",""],["CFF","CAFFEINE","C8 H10 N4 O2","O=C2N(c1ncn(c1C(=O)N2C)C)C;Cn1cnc2N(C)C(=O)N(C)C(=O)c12;Cn1cnc2c1C(=O)N(C(=O)N2C)C","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE","2000-05-16","2020-06-17","1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione",""],["HKI","N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide","C30 H31 Cl N6 O3","O=C(Nc4cc1c(ncc(C#N)c1Nc3ccc(OCc2ncccc2)c(Cl)c3)cc4OCC)CCCN(C)C;CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C;CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4","InChI=1S/C30H31ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-6,8,10-12,14-16,18H,4,7,9,13,19H2,1-3H3,(H,34,35)(H,36,38)","Neratinib (HKI-272), bound form","2012-12-14","2024-09-27","N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide","2013-01-11"],["HKJ","N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine","C21 H21 F N6 O3 S","c2(NC(c1ccc(cn1)F)C)ccc3c(n2)n(cc3S(C4COC4)(=O)=O)c5cc(C)nn5;C[CH](Nc1ccc2c(n1)n(cc2[S](=O)(=O)C3COC3)c4cc(C)[nH]n4)c5ccc(F)cn5;Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)NC(C)c4ccc(cn4)F)S(=O)(=O)C5COC5","InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1","","2018-07-09","2019-04-26","N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine","2019-05-01"],["CFG","N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide","C23 H27 N3 O5 Si","c3cc(C(C(=O)Nc1ccc(cc1)[Si](C)(C)C)N(C)C(C2=CC(=O)NO2)=O)ccc3OC;COc1ccc(cc1)[CH](N(C)C(=O)C2=CC(=O)NO2)C(=O)Nc3ccc(cc3)[Si](C)(C)C;CN(C(c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3","InChI=1S/C23H27N3O5Si/c1-26(23(29)19-14-20(27)25-31-19)21(15-6-10-17(30-2)11-7-15)22(28)24-16-8-12-18(13-9-16)32(3,4)5/h6-14,21H,1-5H3,(H,24,28)(H,25,27)/t21-/m1/s1","","2017-09-21","2017-12-29","N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide","2018-01-03"],["HKK","~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide","C11 H13 Cl N2 O3 S","C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2;CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2","InChI=1S/C11H13ClN2O3S/c1-18(15,16)14-10-6-9(7-13-11(10)12)8-2-4-17-5-3-8/h2,6-7,14H,3-5H2,1H3","","2018-12-12","2018-12-21","~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide","2018-12-26"],["CFH","1,1,1,3,3,3-hexafluoropropan-2-ol","C3 H2 F6 O","FC(F)(F)C(O)C(F)(F)F;OC(C(F)(F)F)C(F)(F)F;C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H","","2009-06-19","2011-06-04","1,1,1,3,3,3-hexafluoropropan-2-ol",""],["HKL","Fe(III) pyropheophorbide-a methyl ester","C34 H34 Fe N4 O3","CCC1=C(C)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C6C(=O)CC(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C;CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)C(C9CCC(=O)OC)C)C)C=C)C","InChI=1S/C34H35N4O3.Fe/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24;/h8,13-15,18,22H,1,9-12H2,2-7H3,(H-,35,36,37,38,39);/q-1;+2/p-1/t18-,22-;/m0./s1","","2008-01-14","2023-09-23","",""],["CFI","1-hydroxy-2-oxo-1-phenylhydrazine","C6 H6 N2 O2","O=NN(O)c1ccccc1;ON(N=O)c1ccccc1;c1ccc(cc1)N(N=O)O","InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,10H","","2011-12-19","2012-02-03","1-hydroxy-2-oxo-1-phenylhydrazine",""],["HKM","2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile","C16 H12 N4 O S","c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3;Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1;Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N","InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)","","2018-07-09","2019-07-05","2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile","2019-07-10"],["CFJ","(3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide","C25 H26 Cl N5 O4","N1(C(N(C(c3c1ccc(NC(=O)CC(C)CC(=O)Nc2cc(c(cc2)C#N)Cl)c3)=O)CC)=O)CC;CCN1C(=O)N(CC)c2ccc(NC(=O)C[CH](C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2C1=O;CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)CC(C)CC(=O)Nc3ccc(c(c3)Cl)C#N","InChI=1S/C25H26ClN5O4/c1-4-30-21-9-8-17(12-19(21)24(34)31(5-2)25(30)35)28-22(32)10-15(3)11-23(33)29-18-7-6-16(14-27)20(26)13-18/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,28,32)(H,29,33)/t15-/m0/s1","","2017-09-21","2018-07-27","(3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide","2018-08-01"],["CFK","3-(carbamoylamino)-5-phenylthiophene-2-carboxamide","C12 H11 N3 O2 S","O=C(c1sc(cc1NC(=O)N)c2ccccc2)N;NC(=O)Nc1cc(sc1C(N)=O)c2ccccc2;c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N","InChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)","","2010-12-17","2011-12-09","3-(carbamoylamino)-5-phenylthiophene-2-carboxamide",""],["HKN","~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide","C22 H24 N4 O4 S","COc1ncc(cc1N[S](=O)(=O)c2cn(Cc3ccccc3)c(C)n2)C4=CCOCC4;Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4","InChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3","","2018-12-12","2018-12-21","~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide","2018-12-26"],["CFL","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one","C9 H13 F N3 O7 P","O=C1N=C(N)C=CN1C2OC(C(O)C2F)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1","2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","2006-09-07","2020-06-17","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one",""],["HKO","N-[(1R,2R,3R,4S,5R)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3S,4S,5S,6R)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide","C24 H40 N6 O9 S","CN[CH]1[CH](O)[CH](O[CH]2C[C]12O)O[CH]3[CH](C[CH](N)[CH](O[CH]4O[CH](CN)CC[CH]4N)[CH]3O)N[S](=O)(=O)c5cccnc5;CNC1C(C(OC2C1(C2)O)OC3C(CC(C(C3O)OC4C(CCC(O4)CN)N)N)NS(=O)(=O)c5cccnc5)O","InChI=1S/C24H40N6O9S/c1-28-21-18(32)23(37-16-8-24(16,21)33)39-20-15(30-40(34,35)12-3-2-6-29-10-12)7-14(27)19(17(20)31)38-22-13(26)5-4-11(9-25)36-22/h2-3,6,10-11,13-23,28,30-33H,4-5,7-9,25-27H2,1H3/t11-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22+,23+,24-/m0/s1","","2021-01-15","2022-01-07","~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3~{S},4~{S},5~{S},6~{R})-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide","2022-01-12"],["CFM","FE-MO-S CLUSTER","Fe7 Mo S9","S1[Fe]S[Fe]S[Mo]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2;S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48","InChI=1S/7Fe.Mo.9S","","1999-07-08","2023-09-23","",""],["HKP","(7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one","C24 H29 Cl2 N5 O2","c42c(N(C(C(CC1CCCC1)N2C3CCCC3)=O)C)cnc(n4)Nc5cc(Cl)c(c(c5)Cl)O;CN1C(=O)[CH](CC2CCCC2)N(C3CCCC3)c4nc(Nc5cc(Cl)c(O)c(Cl)c5)ncc14;CN1c2cnc(nc2N(C(C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl","InChI=1S/C24H29Cl2N5O2/c1-30-20-13-27-24(28-15-11-17(25)21(32)18(26)12-15)29-22(20)31(16-8-4-5-9-16)19(23(30)33)10-14-6-2-3-7-14/h11-14,16,19,32H,2-10H2,1H3,(H,27,28,29)/t19-/m1/s1","","2018-07-10","2021-06-25","(7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one","2021-06-30"],["HKQ","~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide","C17 H13 Cl N2 O2 S","Clc1ncc(cc1N[S](=O)(=O)c2ccccc2)c3ccccc3;c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3","InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H","","2018-12-13","2018-12-21","~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide","2018-12-26"],["CFN","FE(7)-MO-S(9)-N CLUSTER","Fe7 Mo N S9","[N-5].S1[Fe]S[Mo]S[Fe]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2;N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12","InChI=1S/7Fe.Mo.N.9S","","2002-07-23","2025-11-10","4,6$l^{3},8$l^{3},10$l^{3},12,14$l^{3},16$l^{3},17,18$l^{3}-nonathia-2$l^{6}-aza-1$l^{4},3$l^{4},5$l^{4},7$l^{3},9$l^{4},11$l^{4},13$l^{4}-heptaferra-15$l^{3}-molybdatridecacyclo[7.7.1.1^{1,3}.0^{2,5}.0^{2,9}.0^{2,11}.0^{2,13}.0^{3,14}.0^{5,8}.0^{6,11}.0^{7,10}.0^{13,16}.0^{15,18}]octadecane",""],["HKR","1-propylimidazole-2-carboxylic acid","C7 H10 N2 O2","CCCn1ccnc1C(O)=O;CCCn1ccnc1C(=O)O","InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h3,5H,2,4H2,1H3,(H,10,11)","","2021-01-19","2022-01-14","1-propylimidazole-2-carboxylic acid","2022-01-19"],["CFO","CHLORO DIIRON-OXO MOIETY","Cl Fe2 O","Cl[Fe]O[Fe];O([Fe])[Fe]Cl","InChI=1S/ClH.2Fe.O/h1H;;;/q;;+1;/p-1","","1999-07-08","2011-06-04","chloro-ferriooxy-iron",""],["HKS","3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine","C12 H16 N2 O6 S","C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O;N[CH](CSc1cc(C[CH](N)C(O)=O)cc(O)c1O)C(O)=O;c1c(cc(c(c1O)O)SCC(C(=O)O)N)CC(C(=O)O)N","InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1","5-cysteinyl-3,4-dihydroxyphenylalanine; 5-Cys-DOPA","2018-07-10","2020-05-27","3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine","2019-05-22"],["CFP","6-CHLORO-2-FLUOROPURINE","C5 H2 Cl F N4","Fc2nc1c(ncn1)c(Cl)n2;Fc1nc(Cl)c2nc[nH]c2n1;c1[nH]c2c(n1)c(nc(n2)F)Cl","InChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)","","2001-06-27","2011-06-04","6-chloro-2-fluoro-9H-purine",""],["HKT","1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine","C17 H16 F N3 O2 S","CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3;CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F","InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3","Vonoprazan","2017-10-20","2020-06-17","1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine","2018-04-11"],["CFQ","1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine","C13 H18 As F3 N O3","O=[N+]([O-])c1ccccc1C(OCC[As+](C)(C)C)C(F)(F)F;C[As+](C)(C)CCO[CH](c1ccccc1[N+]([O-])=O)C(F)(F)F;C[As+](C)(C)CCOC(c1ccccc1[N+](=O)[O-])C(F)(F)F","InChI=1S/C13H18AsF3NO3/c1-14(2,3)8-9-21-12(13(15,16)17)10-6-4-5-7-11(10)18(19)20/h4-7,12H,8-9H2,1-3H3/q+1/t12-/m0/s1","","2007-08-22","2026-04-04","trimethyl{2-[(1S)-2,2,2-trifluoro-1-(2-nitrophenyl)ethoxy]ethyl}arsanium",""],["HKU","1-propan-2-ylimidazole-2-carboxylic acid","C7 H10 N2 O2","CC(C)n1ccnc1C(O)=O;CC(C)n1ccnc1C(=O)O","InChI=1S/C7H10N2O2/c1-5(2)9-4-3-8-6(9)7(10)11/h3-5H,1-2H3,(H,10,11)","","2021-01-19","2022-01-14","1-propan-2-ylimidazole-2-carboxylic acid","2022-01-19"],["CFS","4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-3-HYDROXY-PENTANOIC ACID","C11 H19 F2 N O3","O=C(O)C(F)(F)C(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)[CH](O)C(F)(F)C(O)=O;C1CCC(CC1)CC(C(C(C(=O)O)(F)F)O)N","InChI=1S/C11H19F2NO3/c12-11(13,10(16)17)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17)/t8-,9+/m0/s1","","2000-09-12","2011-08-06","4-amino-5-cyclohexyl-2,4,5-trideoxy-2,2-difluoro-L-threo-pentonic acid",""],["HKV","4,5-DIOXOPENTANOIC ACID","C5 H6 O4","O=CC(=O)CCC(=O)O;OC(=O)CCC(=O)C=O;C(CC(=O)O)C(=O)C=O","InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)","","2006-12-05","2011-06-04","4,5-dioxopentanoic acid",""],["CFT","TRIFLUOROMETHANE","C H F3","FC(F)F;FC(F)F;C(F)(F)F","InChI=1S/CHF3/c2-1(3)4/h1H","","2003-01-31","2024-09-27","trifluoromethane",""],["HKW","6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide","C42 H55 N6 O5","CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCCC(=O)NCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O)[CH]5O)nn4)c6ccccc6C3(C)C;CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)CC6C(CC(C(C6O)O)O)O)C","InChI=1S/C42H54N6O5/c1-41(2)30-16-11-13-18-32(30)46(5)36(41)20-8-6-9-21-37-42(3,4)31-17-12-14-19-33(31)48(37)23-15-7-10-22-38(51)43-25-28-26-47(45-44-28)27-29-34(49)24-35(50)40(53)39(29)52/h6,8-9,11-14,16-21,26,29,34-35,39-40,49-50,52-53H,7,10,15,22-25,27H2,1-5H3/p+1/t29-,34-,35-,39+,40+/m0/s1","","2018-12-13","2024-09-27","6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide","2019-03-27"],["CFU","(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C10 H14 N2 O4 S","O=CC(NC(=O)C)C1SCC(=C(C(=O)O)N1)C;CC(=O)N[CH](C=O)[CH]1NC(=C(C)CS1)C(O)=O;CC1=C(NC(SC1)C(C=O)NC(=O)C)C(=O)O","InChI=1S/C10H14N2O4S/c1-5-4-17-9(12-8(5)10(15)16)7(3-13)11-6(2)14/h3,7,9,12H,4H2,1-2H3,(H,11,14)(H,15,16)/t7-,9-/m1/s1","","2014-09-05","2024-09-27","(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2014-09-17"],["HKX","N-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-methylbenzenesulfonamide","C18 H17 Br N4 O4 S","O=C1NC(=O)N(C(=C1N(C)S(=O)(c2ccccc2)=O)N)Cc3cc(ccc3)Br;CN(C1=C(N)N(Cc2cccc(Br)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3","InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)14-8-3-2-4-9-14)15-16(20)23(18(25)21-17(15)24)11-12-6-5-7-13(19)10-12/h2-10H,11,20H2,1H3,(H,21,24,25)","","2016-01-28","2017-02-17","N-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-methylbenzenesulfonamide","2017-02-22"],["CFV","[(2R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid","C8 H14 N3 O6 P","O=C1N=C(C=CN1CC(OCP(=O)(O)O)CO)N;NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1;C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O","InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m1/s1","","2008-10-05","2011-06-04","{[(1R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid",""],["HKY","1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid","C10 H11 N O2","O=C(O)c1ccc2c(c1)CCNC2;OC(=O)c1ccc2CNCCc2c1;c1cc2c(cc1C(=O)O)CCNC2","InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)","","2013-06-28","2014-09-05","1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid","2014-07-16"],["CFX","CEFOXITIN","C16 H17 N3 O7 S2","O=C(O)C=1N2C(=O)C(NC(=O)Cc3cccs3)(OC)C2SCC=1COC(N)=O;CO[C]1(NC(=O)Cc2sccc2)[CH]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O;COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3","InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1","","2001-02-16","2025-03-27","(1S,6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["HKZ","1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole","C21 H16 Cl2 N2 O","Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl;Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4","InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3","","2018-12-13","2019-11-22","1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole","2019-11-27"],["CFY","[(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C23 H22 N4 O5 S","O=C(O)CN1C(=O)C(N=C1C2=NC(O)(SC2)C(N)Cc3ccccc3)=Cc4ccc(O)cc4;N[CH](Cc1ccccc1)[C]2(O)SCC(=N2)C3=NC(=Cc4ccc(O)cc4)C(=O)N3CC(O)=O;c1ccc(cc1)CC(C2(N=C(CS2)C3=NC(=Cc4ccc(cc4)O)C(=O)N3CC(=O)O)O)N","InChI=1S/C23H22N4O5S/c24-19(11-14-4-2-1-3-5-14)23(32)26-18(13-33-23)21-25-17(22(31)27(21)12-20(29)30)10-15-6-8-16(28)9-7-15/h1-10,19,28,32H,11-13,24H2,(H,29,30)/b17-10-/t19-,23+/m0/s1","CHROMOPHORE (PHE-CYS-TYR-GLY)","2006-02-14","2024-09-27","[(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["HL0","N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide","C14 H25 N O3","O=C1OCCC1NC(=O)CCCCCCCCC;CCCCCCCCCC(=O)N[CH]1CCOC1=O;CCCCCCCCCC(=O)NC1CCOC1=O","InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1","N-decanoyl-L-homoserine lactone","2011-02-15","2021-03-01","N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide",""],["CFZ","2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)","C9 H13 F N3 O7 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)F","InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2010-04-13","2011-06-04","2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)",""],["HL1","(2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine","C21 H18 F3 N O3","COc1cc2ccc3O[CH]([CH](N)Cc3c2cc1OC)c4cc(F)c(F)cc4F;COc1cc2ccc3c(c2cc1OC)CC(C(O3)c4cc(c(cc4F)F)F)N","InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1","","2016-04-13","2017-03-28","(2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine","2017-04-02"],["CG","4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE","C11 H14 N6","[N@H]=C(c1cccc2c1CCC/2=N/NC(=[N@H])N)N;NC(=N)NN=C1CCc2c(cccc12)C(N)=N;c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N","InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+","","2001-03-13","2011-06-04","(2E)-2-(4-carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide",""],["CG0","N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine","C14 H24 N6","CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3;CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3","InChI=1S/C14H24N6/c1-3-11-12(16-10-4-5-10)17-14(15)18-13(11)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H3,15,16,17,18)","","2019-04-24","2020-10-23","~{N}4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine","2020-10-28"],["HL2","(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid","C6 H13 N O3","O=C(O)C(N)C(O)C(C)C;CC(C)[CH](O)[CH](N)C(O)=O;CC(C)C(C(C(=O)O)N)O","InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1","BETA-HYDROXYLEUCINE","2010-07-12","2024-09-27","(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name)",""],["HL3","1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid","C8 H12 N2 O2","CC[CH](C)n1ccnc1C(O)=O;CCC(C)n1ccnc1C(=O)O","InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-9-7(10)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1","","2021-01-19","2022-01-14","1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid","2022-01-19"],["CG1","5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine","C11 H16 N5 O8 P","O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O;CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N;COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O","InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","2008-03-26","2011-06-04","5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine",""],["HL4","N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide","C8 H13 N O3","O=C1OCCC1NC(=O)CCC;CCCC(=O)N[CH]1CCOC1=O;CCCC(=O)NC1CCOC1=O","InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1","N-butyryl-L-homoserine lactone","2010-09-06","2020-06-17","N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide",""],["CG2","CYTIDYL-2'-5'-PHOSPHO-GUANOSINE","C19 H25 N8 O12 P","O=C1N=C(N)C=CN1C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=NC5=O)N)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N","InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1","","2003-06-28","2011-06-04","[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (R)-phosphate (non-preferred name)",""],["HL5","(2S,4R)-5-hydroxyleucine","C6 H13 N O3","C[CH](CO)C[CH](N)C(O)=O;CC(CC(C(=O)O)N)CO","InChI=1S/C6H13NO3/c1-4(3-8)2-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1","","2017-03-07","2024-09-27","(2~{S},4~{R})-2-azanyl-4-methyl-5-oxidanyl-pentanoic acid","2017-10-04"],["CG3","HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM","C6 H6 N O3","O=[N+](O)c1ccccc1O;Oc1ccccc1[N+](O)=O;c1ccc(c(c1)[N+](=O)O)O","InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1","","2009-07-08","2026-04-07","hydroxy(2-hydroxyphenyl)oxoammonium",""],["HL6","N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide","C10 H17 N O3","O=C1OCCC1NC(=O)CCCCC;CCCCCC(=O)N[CH]1CCOC1=O;CCCCCC(=O)NC1CCOC1=O","InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1","N-hexanoyl-L-homoserine lactone","2011-02-15","2020-06-17","N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide",""],["CG4","4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid","C28 H23 N5 O5","O=C(O)c1ccc(cc1)NC(=O)c5cccc(c2nc(c3nccn3c2)Nc4ccc(OC)c(OC)c4)c5;COc1ccc(Nc2nc(cn3ccnc23)c4cccc(c4)C(=O)Nc5ccc(cc5)C(O)=O)cc1OC;COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O","InChI=1S/C28H23N5O5/c1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36/h3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36)","","2014-03-19","2014-05-16","4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid","2014-05-21"],["HL7","(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate","C37 H47 N5 O4 S","O=C(NC)OC1CCCC1C6(C2CCN(CC2)CC3CN(C3)c5ccc(S(=O)(c4ccncc4)=O)cc5)CN(Cc7c6cccc7)C;CNC(=O)O[CH]1CCC[CH]1[C]2(CN(C)Cc3ccccc23)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)[S](=O)(=O)c7ccncc7;CNC(=O)OC1CCCC1C2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7","InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1","","2018-07-10","2019-07-05","(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate","2019-07-10"],["CG5","(9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide","C35 H34 F N5 O5","COc1ccc(cc1)c2cc(n3C[CH]4[CH](O)[CH](O)CN4Cc23)C(=O)Nc5cc(ccn5)c6c(onc6c7ccc(F)cc7)C(C)C;CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4CC6C(C(CN6C5)O)O)c7ccc(cc7)OC","InChI=1S/C35H34FN5O5/c1-19(2)34-31(32(39-46-34)21-4-8-23(36)9-5-21)22-12-13-37-30(14-22)38-35(44)26-15-25(20-6-10-24(45-3)11-7-20)27-16-40-18-29(42)33(43)28(40)17-41(26)27/h4-15,19,28-29,33,42-43H,16-18H2,1-3H3,(H,37,38,44)/t28-,29+,33-/m1/s1","","2017-11-25","2019-03-08","(9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide","2019-03-13"],["CG6","beta-Methyl-Cysteine","C4 H9 N O2 S","C[CH](S)[CH](N)C(O)=O;CC(C(C(=O)O)N)S","InChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1","","2015-11-26","2024-09-27","(2~{R},3~{R})-2-azanyl-3-sulfanyl-butanoic acid","2016-07-06"],["HL8","1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid","C19 H13 Cl3 F3 N3 O3","Cc1n(c(nc1C(F)(F)F)c2oc(Cl)cc2)c3c(Cl)ccc(N4CC(C4)C(O)=O)c3Cl;Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F","InChI=1S/C19H13Cl3F3N3O3/c1-8-16(19(23,24)25)26-17(12-4-5-13(21)31-12)28(8)15-10(20)2-3-11(14(15)22)27-6-9(7-27)18(29)30/h2-5,9H,6-7H2,1H3,(H,29,30)","","2018-12-13","2019-11-22","1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid","2019-11-27"],["HL9","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide","C20 H29 N5 O2 S","O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC3CCN(CC3)c4ccncc4;c1cnccc1N2CCC(CC2)NC(=O)CCCCC3C4C(CS3)NC(=O)N4","InChI=1S/C20H29N5O2S/c26-18(4-2-1-3-17-19-16(13-28-17)23-20(27)24-19)22-14-7-11-25(12-8-14)15-5-9-21-10-6-15/h5-6,9-10,14,16-17,19H,1-4,7-8,11-13H2,(H,22,26)(H2,23,24,27)/t16-,17-,19-/m0/s1","","2019-10-04","2020-10-09","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide","2020-10-14"],["CG7","5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid","C26 H18 Cl N3 O4","OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O;Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O;Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl","InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30)","","2017-09-21","2018-04-20","5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid","2018-04-25"],["HLA","4,6-O-[(1R)-1-carboxyethylidene]-D-galactopyranose","C9 H14 O8","O=C(O)C1(C)OCC2OC(O)C(O)C(O)C2O1;C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O;CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O","InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6+,7-,9-/m1/s1","","2018-07-10","2025-04-09","4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranose","2019-07-17"],["CG8","(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid","C10 H14 N4 O4","CN1CC2=C(C1)C(=O)NC(=O)N2C[CH](N)C(O)=O;CN1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N","InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1","","2017-11-27","2018-02-23","(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid","2018-02-28"],["CG9","6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine","C23 H21 N7 O","n2cc1ccc(cc1n2)c4nc(c3nccn3c4)Nc6ccc(N5CCOCC5)cc6;C1CN(CCO1)c2ccc(Nc3nc(cn4ccnc34)c5ccc6cn[nH]c6c5)cc2;c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6","InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)","","2014-03-19","2014-04-18","6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine","2014-04-23"],["HLB","5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide","C45 H65 N4 O5","CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCC(=O)NCCCCCCCCN[CH]4C[CH](O)[CH](O)[CH](O)[CH]4O)c5ccccc5C3(C)C;CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCNC5CC(C(C(C5O)O)O)O)C","InChI=1S/C45H64N4O5/c1-44(2)32-21-13-15-23-35(32)48(5)38(44)25-11-10-12-26-39-45(3,4)33-22-14-16-24-36(33)49(39)30-20-17-27-40(51)47-29-19-9-7-6-8-18-28-46-34-31-37(50)42(53)43(54)41(34)52/h10-16,21-26,34,37,41-43,46,50,52-54H,6-9,17-20,27-31H2,1-5H3/p+1/t34-,37-,41+,42+,43+/m1/s1","","2018-12-13","2024-09-27","5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide","2019-06-05"],["HLC","4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide","C14 H16 Cl N O4","O=C2OCCC2NC(=O)CCCOc1ccc(Cl)cc1;Clc1ccc(OCCCC(=O)N[CH]2CCOC2=O)cc1;c1cc(ccc1OCCCC(=O)NC2CCOC2=O)Cl","InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1","","2011-02-15","2011-06-04","4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide",""],["CGA","CARBOXYMETHYLATED GLUTAMIC ACID","C7 H11 N O6","O=C(O)COC(=O)CCC(C(=O)O)N;NC(CCC(=O)OCC(O)=O)C(O)=O;C(CC(=O)OCC(=O)O)C(C(=O)O)N","InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13)","","1999-07-08","2024-09-27","2-amino-5-(carboxymethoxy)-5-oxopentanoic acid (non-preferred name)",""],["HLD","4-oxo-4H-pyran-2,6-dicarboxylic acid","C7 H4 O6","O=C1C=C(OC(C(=O)O)=C1)C(=O)O;OC(=O)C1=CC(=O)C=C(O1)C(O)=O;C1=C(OC(=CC1=O)C(=O)O)C(=O)O","InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)","","2012-03-05","2013-01-11","4-oxo-4H-pyran-2,6-dicarboxylic acid","2013-01-11"],["CGB","CALYSTEGINE B2","C7 H13 N O4","OC12NC(CC1)C(O)C(O)C2O;O[CH]1[CH](O)[CH](O)[C]2(O)CC[CH]1N2;C1CC2(C(C(C(C1N2)O)O)O)O","InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1","(1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL","2006-01-09","2020-06-17","(1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol",""],["HLE","3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE","C8 H15 N O4","O=C(NO)C(O)C(C=O)CC(C)C;CC(C)C[CH](C=O)[CH](O)C(=O)NO;CC(C)CC(C=O)C(C(=O)NO)O","InChI=1S/C8H15NO4/c1-5(2)3-6(4-10)7(11)8(12)9-13/h4-7,11,13H,3H2,1-2H3,(H,9,12)/t6-,7-/m0/s1","","1999-07-08","2011-06-04","(2S,3R)-3-formyl-N,2-dihydroxy-5-methylhexanamide",""],["CGD","1,3-benzothiazol-2-ol","C7 H5 N O S","c1ccc2c(c1)sc(O)n2;Oc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)O","InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)","","2017-09-22","2018-09-21","1,3-benzothiazol-2-ol","2018-09-26"],["CGE","Clopidogrel","C16 H16 Cl N O2 S","Clc1ccccc1C(N3CCc2sccc2C3)C(=O)OC;COC(=O)[CH](N1CCc2sccc2C1)c3ccccc3Cl;COC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2","InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1","methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate","2010-04-07","2021-03-13","methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate",""],["HLF","1-but-3-enylimidazole-2-carboxylic acid","C8 H10 N2 O2","OC(=O)c1nccn1CCC=C;C=CCCn1ccnc1C(=O)O","InChI=1S/C8H10N2O2/c1-2-3-5-10-6-4-9-7(10)8(11)12/h2,4,6H,1,3,5H2,(H,11,12)","","2021-01-19","2022-01-14","1-but-3-enylimidazole-2-carboxylic acid","2022-01-19"],["HLG","N-{3-[(4-aminobutyl)amino]propyl}acetamide","C9 H21 N3 O","CC(NCCCNCCCCN)=O;CC(=O)NCCCNCCCCN;CC(=O)NCCCNCCCCN","InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)","","2018-07-11","2019-07-05","N-{3-[(4-aminobutyl)amino]propyl}acetamide","2019-07-10"],["CGF","C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE","C7 H14 N4 O6","[N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N;N[CH](O)[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)N=[N+]=[N-];C(C1C(C(C(C(O1)(C(N)O)N=[N+]=[N-])O)O)O)O","InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1","","2003-04-25","2020-07-17","(2S,3R,4S,5S,6R)-2-[(R)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred\nname)",""],["CGG","Chlorogenic acid","C16 H18 O9","O[CH]1C[C](O)(C[CH](OC(=O)C=Cc2ccc(O)c(O)c2)[CH]1O)C(O)=O;c1cc(c(cc1C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O)O","InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14-,16-/m0/s1","","2016-11-11","2017-09-15","(1~{S},3~{R},4~{S},5~{S})-3-[(~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","2017-09-20"],["HLH","2-heptyl-1~{H}-quinolin-4-one","C16 H21 N O","CCCCCCCC1=CC(=O)c2ccccc2N1;CCCCCCCC1=CC(=O)c2ccccc2N1","InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)","","2018-12-13","2019-11-15","2-heptyl-1~{H}-quinolin-4-one","2019-11-20"],["CGH","N-cycloheptylglycine","C9 H17 N O2","O=C(O)CNC1CCCCCC1;OC(=O)CNC1CCCCCC1;C1CCCC(CC1)NCC(=O)O","InChI=1S/C9H17NO2/c11-9(12)7-10-8-5-3-1-2-4-6-8/h8,10H,1-7H2,(H,11,12)","","2010-11-15","2012-01-13","N-cycloheptylglycine",""],["HLI","(4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid","C20 H19 Cl N5 O5 P","O=P(O)(O)c1ccc(cc1)c3nc2N=C(NC(=O)c2n3CCOc4ccc(Cl)cc4)NC;CNC1=Nc2nc(n(CCOc3ccc(Cl)cc3)c2C(=O)N1)c4ccc(cc4)[P](O)(O)=O;CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1","InChI=1S/C20H19ClN5O5P/c1-22-20-24-17-16(19(27)25-20)26(10-11-31-14-6-4-13(21)5-7-14)18(23-17)12-2-8-15(9-3-12)32(28,29)30/h2-9H,10-11H2,1H3,(H2,28,29,30)(H2,22,24,25,27)","","2012-02-24","2012-04-06","(4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid",""],["HLJ","N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide","C25 H22 Cl2 F N5 O","N(Cc1cc(c(cc1)Cl)Cl)C(=O)c4cc(c2c(C)nc(cc2)F)cc(CN3C(=N)N(C)C=C3)c4;CN1C=CN(Cc2cc(cc(c2)c3ccc(F)nc3C)C(=O)NCc4ccc(Cl)c(Cl)c4)C1=N;Cc1c(ccc(n1)F)c2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)CN4C=CN(C4=N)C","InChI=1S/C25H22Cl2FN5O/c1-15-20(4-6-23(28)31-15)18-9-17(14-33-8-7-32(2)25(33)29)10-19(12-18)24(34)30-13-16-3-5-21(26)22(27)11-16/h3-12,29H,13-14H2,1-2H3,(H,30,34)/b29-25+","","2018-07-11","2019-03-08","N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide","2019-03-13"],["CGI","~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","C18 H13 Cl N4 O","Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1;c1cc(ccc1Nc2c3cc[nH]c3ncn2)Oc4ccc(cc4)Cl","InChI=1S/C18H13ClN4O/c19-12-1-5-14(6-2-12)24-15-7-3-13(4-8-15)23-18-16-9-10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23)","","2021-12-14","2022-10-21","~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine","2022-10-26"],["HLK","~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine","C13 H11 F4 N3","Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F;c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F","InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20)","","2018-12-13","2019-11-15","~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine","2019-11-20"],["CGJ","1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine","C11 H11 N3 O","C2OCc1nnc(n1c3c2cccc3)C;Cc1nnc2COCc3ccccc3n12;Cc1nnc2n1-c3ccccc3COC2","InChI=1S/C11H11N3O/c1-8-12-13-11-7-15-6-9-4-2-3-5-10(9)14(8)11/h2-5H,6-7H2,1H3","","2017-08-31","2017-10-06","1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine","2017-10-11"],["CGK","3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid","C19 H27 N5 O16 P2 S","O=C(O)CCC1(OC2C(O)C(OC2S1)COP(=O)(O)OP(=O)(OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O)O)O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5S[C](O)(CCC(O)=O)O[CH]5[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C5C(O4)SC(O5)(CCC(=O)O)O)O)O)O)N","InChI=1S/C19H27N5O16P2S/c20-15-10-16(22-5-21-15)24(6-23-10)17-13(29)11(27)7(37-17)3-35-41(31,32)40-42(33,34)36-4-8-12(28)14-18(38-8)43-19(30,39-14)2-1-9(25)26/h5-8,11-14,17-18,27-30H,1-4H2,(H,25,26)(H,31,32)(H,33,34)(H2,20,21,22)/t7-,8-,11-,12-,13-,14-,17-,18-,19-/m1/s1","","2012-06-11","2024-09-27","3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid (non-preferred name)",""],["HLL","1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid","C8 H9 N5 O2","OC(=O)c1nccn1CCn2ccnn2;c1cn(c(n1)C(=O)O)CCn2ccnn2","InChI=1S/C8H9N5O2/c14-8(15)7-9-1-3-12(7)5-6-13-4-2-10-11-13/h1-4H,5-6H2,(H,14,15)","","2021-01-19","2022-01-14","1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid","2022-01-19"],["HLM","N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide","C19 H21 Cl N4 O","c2(cc(C(=O)NC(C)c1cccc(c1)Cl)ccc2)CNC3=NCCN3;C[CH](NC(=O)c1cccc(CNC2=NCCN2)c1)c3cccc(Cl)c3;CC(c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3","InChI=1S/C19H21ClN4O/c1-13(15-5-3-7-17(20)11-15)24-18(25)16-6-2-4-14(10-16)12-23-19-21-8-9-22-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,24,25)(H2,21,22,23)/t13-/m0/s1","","2018-07-11","2019-03-08","N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide","2019-03-13"],["CGL","CYSTINE-GLUTATHIONE","C13 H22 N4 O8 S2","O=C(NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O)CCC(N)C(=O)O;N[CH](CCC(=O)N[CH](CSSC[CH](N)C(O)=O)C(=O)NCC(O)=O)C(O)=O;C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N","InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7-,8-/m0/s1","(2S)-2-amino-5-({(2R)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)","1999-07-08","2026-03-03","(2S)-2-amino-5-({(2R)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)",""],["CGM","(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside","C31 H51 N O9","C1C(=O)OC(CC)C(C=C(C=CC(=O)C(C)CC(CC=O)C(C(C1O)C)OC2OC(C)C(C(C2O)N(C)C)O)C)C;CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)[CH](O)[CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O)C=CC(=C[CH]1C)C;CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)C)C","InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1","","2017-09-22","2018-12-14","(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside","2018-12-19"],["HLN","hexyl(naphthalen-2-yloxy)phosphinic acid","C16 H21 O3 P","O=P(O)(Oc2ccc1c(cccc1)c2)CCCCCC;CCCCCC[P](O)(=O)Oc1ccc2ccccc2c1;CCCCCCP(=O)(O)Oc1ccc2ccccc2c1","InChI=1S/C16H21O3P/c1-2-3-4-7-12-20(17,18)19-16-11-10-14-8-5-6-9-15(14)13-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,17,18)","","2012-03-14","2013-01-18","naphthalen-2-yl hydrogen (R)-hexylphosphonate","2013-01-18"],["HLO","1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM","C15 H17 N5 O4","O=C(N)c1cc[n+](cc1)COC[n+]2ccc(cc2C=NO)C=NO;NC(=O)c1cc[n+](COC[n+]2ccc(C=NO)cc2C=NO)cc1;c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2C=NO)C=NO","InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2","","2007-01-25","2011-06-04","1-[({2,4-bis[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium",""],["CGN","5-OXO-PYRROLIDINE-2-CARBALDEHYDE","C5 H7 N O2","O=CC1NC(=O)CC1;O=C[CH]1CCC(=O)N1;C1CC(=O)NC1C=O","InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1","","1999-07-08","2024-09-27","(2S)-5-oxopyrrolidine-2-carbaldehyde",""],["CGO","sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)","C32 H22 N6 Na2 O6 S2","[Na+][O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c4ccc(/N=N/c3c(c2ccccc2c(c3)S(=O)(=O)[O-][Na+])N)cc4)c(N)c6c5cccc6;Nc1c(cc(c2ccccc12)[S](=O)(=O)[O-][Na+])N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](=O)(=O)[O-][Na+];c1ccc2c(c1)c(cc(c2N)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)[O-][Na+])S(=O)(=O)[O-][Na+]","InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;","congo red","2011-04-21","2024-11-08","mu-{3,3'-[biphenyl-4,4'-diyldi(E)diazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonato-kappaO)(2-)}disodium",""],["HLP","5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid","C9 H8 N2 O3","n1(cncc1)Cc2ccc(C(=O)O)o2;OC(=O)c1oc(Cn2ccnc2)cc1;c1cc(oc1Cn2ccnc2)C(=O)O","InChI=1S/C9H8N2O3/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11/h1-4,6H,5H2,(H,12,13)","","2018-07-11","2019-03-08","5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid","2019-03-13"],["HLQ","~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine","C15 H15 F4 N3","Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F;c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F","InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22)","","2018-12-13","2019-11-15","~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine","2019-11-20"],["CGP","2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE","C19 H25 N8 O10 P","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N","InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1","","1999-07-08","2011-06-04","[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2S,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",""],["CGQ","3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM","C17 H22 N9","N([NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])N)c1)=C/c2cccc(C(=[NH2+])N)c2;NC(=[NH2+])c1cccc(C=NNC(N)=[NH+]N=Cc2cccc(c2)C(N)=[NH2+])c1;c1cc(cc(c1)C(=[NH2+])N)C=NNC(=[NH+]N=Cc2cccc(c2)C(=[NH2+])N)N","InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+","CGP40215A; BIS[[3-(AMINOIMINOMETHYL)PHENYL]METHYLENE] CARBONIMIDIC DIHYDRAZIDE","2002-07-30","2020-05-27","(1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazanium",""],["HLR","1,2-benzoxazol-3-amine","C7 H6 N2 O","n2oc1ccccc1c2N;Nc1noc2ccccc12;c1ccc2c(c1)c(no2)N","InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)","","2013-12-23","2014-04-15","1,2-benzoxazol-3-amine","2014-01-08"],["HLS","3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide","C20 H23 F N4 O3","N(C(=O)c1cc(c(F)cc1)CNC2=NCCN2)Cc3cc(cc(c3)OC)OC;COc1cc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)cc(OC)c1;COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F","InChI=1S/C20H23FN4O3/c1-27-16-7-13(8-17(10-16)28-2)11-24-19(26)14-3-4-18(21)15(9-14)12-25-20-22-5-6-23-20/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,24,26)(H2,22,23,25)","","2018-07-11","2019-03-08","3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide","2019-03-13"],["CGR","CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE","C15 H23 N5 O14 P2","O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O;NC1=NC2=C(N3CN2[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]3[CH](O)[CH]5O)[CH](O)[CH]4O)C(=O)N1;C1C2C(C(C(O2)N3CN(C4C(C(C(O4)COP(=O)(OP(=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O","InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1","CYCLIC GDP-RIBOSE","2006-12-11","2021-03-01","(2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name)",""],["CGS","N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE","C18 H23 N3 O5 S","O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C;COc1ccc(cc1)[S](=O)(=O)N(Cc2cccnc2)[CH](C(C)C)C(=O)NO;CC(C)C(C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC","InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1","CGS-27023A","1999-07-08","2020-06-17","N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide",""],["HLT","2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE","C2 H Br Cl F3","BrC(Cl)C(F)(F)F;FC(F)(F)[CH](Cl)Br;C(C(F)(F)F)(Cl)Br","InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1","","2000-08-29","2011-06-04","(2R)-2-bromo-2-chloro-1,1,1-trifluoroethane",""],["HLU","BETA-HYDROXYLEUCINE","C6 H13 N O3","O=C(O)C(N)C(O)C(C)C;CC(C)[CH](O)[CH](N)C(O)=O;CC(C)C(C(C(=O)O)N)O","InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1","","2004-02-02","2024-09-27","(2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name)",""],["CGT","CARBA-GLUCOTROPAEOLIN","C15 H21 N O8 S2","O=S(=O)(O)ON=C(/SC1CC(C(O)C(O)C1O)CO)Cc2ccccc2;OC[CH]1C[CH](SC(Cc2ccccc2)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)CC(=NOS(=O)(=O)O)SC2CC(C(C(C2O)O)O)CO","InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1","(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE","2004-10-08","2020-06-17","(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate",""],["CGU","GAMMA-CARBOXY-GLUTAMIC ACID","C6 H9 N O6","O=C(O)C(C(=O)O)CC(N)C(=O)O;N[CH](CC(C(O)=O)C(O)=O)C(O)=O;C(C(C(=O)O)C(=O)O)C(C(=O)O)N","InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1","","1999-07-08","2024-09-27","(3S)-3-aminopropane-1,1,3-tricarboxylic acid",""],["HLV","2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine","C14 H13 N O2","c12cc(ccc1oc3c2cccc3)OCCN;NCCOc1ccc2oc3ccccc3c2c1;c1ccc2c(c1)c3cc(ccc3o2)OCCN","InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2","","2018-07-12","2019-04-05","2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine","2019-04-10"],["HLW","3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine","C18 H20 Cl N5","Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3;Clc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1;c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3","InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2","N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE","2014-10-21","2021-03-01","3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine","2014-12-24"],["CGV","S-[(R)-carboxy(hydroxy)methyl]-L-cysteine","C5 H9 N O5 S","O=C(O)C(O)SCC(C(=O)O)N;N[CH](CS[CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)N)SC(C(=O)O)O","InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1","","2014-01-22","2024-09-27","S-[(R)-carboxy(hydroxy)methyl]-L-cysteine","2014-10-15"],["CGW","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid","C9 H11 N3 O4 S","N[CH](CN1C(=O)NC(=O)C2=C1CSC2)C(O)=O;C1C2=C(CS1)N(C(=O)NC2=O)CC(C(=O)O)N","InChI=1S/C9H11N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1","","2017-11-27","2018-02-23","(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid","2018-02-28"],["HLX","5-methyl-L-norleucine","C7 H15 N O2","O=C(O)C(N)CCC(C)C;CC(C)CC[CH](N)C(O)=O;CC(C)CCC(C(=O)O)N","InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1","","2013-03-28","2024-09-27","5-methyl-L-norleucine","2013-06-12"],["HLY","(3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid","C12 H22 N2 O6","C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O;CC(CC(=O)NCCCCC(C(=O)O)N)(CC(=O)O)O","InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12+/m0/s1","","2017-07-22","2024-09-27","(3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid","2017-11-29"],["CGX","N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","C14 H23 N5","CCc1c(NC2CC2)nc(N)nc1N3CCCCC3;CCc1c(nc(nc1N2CCCCC2)N)NC3CC3","InChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18)","","2019-04-24","2020-10-23","~{N}4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","2020-10-28"],["HLZ","1-hydrazinophthalazine","C8 H8 N4","n2nc(c1ccccc1c2)NN;NNc1nncc2ccccc12;c1ccc2c(c1)cnnc2NN","InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)","Hydralazine; phthalazin-1-ylhydrazine","2010-03-02","2021-03-13","1-hydrazinylphthalazine",""],["CGY","(1R)-1,4-anhydro-2-deoxy-1-(2,6-diamino-5-nitropyridin-3-yl)-5-O-phosphono-D-erythro-pentitol","C10 H15 N4 O8 P","OP(=O)(O)OCC1OC(CC1O)c1cc([N+]([O-])=O)c(N)nc1N;Nc1nc(N)c(cc1[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)[N+]([O-])=O;c1c(c(nc(c1[N+](=O)[O-])N)N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N4O8P/c11-9-4(1-5(14(16)17)10(12)13-9)7-2-6(15)8(22-7)3-21-23(18,19)20/h1,6-8,15H,2-3H2,(H4,11,12,13)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2017-09-22","2026-04-04","(1R)-1,4-anhydro-2-deoxy-1-(2,6-diamino-5-nitropyridin-3-yl)-5-O-phosphono-D-erythro-pentitol","2018-09-19"],["HM0","1-cyclobutylimidazole-2-carboxylic acid","C8 H10 N2 O2","OC(=O)c1nccn1C2CCC2;c1cn(c(n1)C(=O)O)C2CCC2","InChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)","","2021-01-19","2022-01-14","1-cyclobutylimidazole-2-carboxylic acid","2022-01-19"],["CGZ","N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide","C14 H19 N3 O3 S","CS(=O)(=O)Nc1c(O)ccc2C(CCCc21)C1=NCCN1;C[S](=O)(=O)Nc1c(O)ccc2[CH](CCCc12)C3=NCCN3;CS(=O)(=O)Nc1c(ccc2c1CCCC2C3=NCCN3)O","InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1","","2023-07-17","2023-08-11","N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide","2023-08-16"],["CH","N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE","C9 H15 N3 O8 P","O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O;NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1;C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","5'-cytidylic acid",""],["HM2","5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE","C18 H17 Cl N4","Clc1c(nc(nc1C)c2ncccc2)NCCc3ccccc3;Cc1nc(nc(NCCc2ccccc2)c1Cl)c3ccccn3;Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl","InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)","","2006-04-25","2011-06-04","5-chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine",""],["HM3","(4-chloropyridin-2-yl)methanol","C6 H6 Cl N O","Clc1ccnc(c1)CO;OCc1cc(Cl)ccn1;c1cnc(cc1Cl)CO","InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2","4-chloro-2-hydroxymethylpyridine","2011-04-14","2024-09-27","(4-chloropyridin-2-yl)methanol",""],["CH0","2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside","C66 H114 O36","OCC%10OC(OC1C(O)C(O)C(OC1CO)OCCOC7CCC8(C)C4CC(OCCOC3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO)C9(C)C(C4C(OCCOC6OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C6O)CC8C7)CCC9C(C)CCC)C(O)C(O)C%10O;CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](C[CH]4C[CH](CC[C]4(C)[CH]3C[CH](OCCO[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[C]12C)OCCO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)OCCO[CH]9O[CH](CO)[CH](O[CH]%10O[CH](CO)[CH](O)[CH](O)[CH]%10O)[CH](O)[CH]9O;CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCOC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)OCCOC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)OCCOC9C(C(C(C(O9)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)C","InChI=1S/C66H114O36/c1-5-6-26(2)29-7-8-30-40-31(19-39(66(29,30)4)90-13-16-93-61-55(87)49(81)58(38(25-72)99-61)102-64-52(84)46(78)43(75)35(22-69)96-64)65(3)10-9-28(88-11-14-91-59-53(85)47(79)56(36(23-70)97-59)100-62-50(82)44(76)41(73)33(20-67)94-62)17-27(65)18-32(40)89-12-15-92-60-54(86)48(80)57(37(24-71)98-60)101-63-51(83)45(77)42(74)34(21-68)95-63/h26-64,67-87H,5-25H2,1-4H3/t26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-/m1/s1","3,7,12-tris[(-D-maltopyranosyl)ethyloxy]cholane","2010-03-06","2021-03-13","2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis(2-{[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["CH1","3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE","C9 H16 N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]2O;C1C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2002-10-24","2011-06-04","3'-deoxycytidine 5'-(tetrahydrogen triphosphate)",""],["HM4","TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE","C14 H16 N4 O3 S","O=C(c1ncccc1NC(=O)OC(C)(C)C)Nc2nccs2;CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2sccn2;CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2","InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)","","2006-11-09","2011-06-04","tert-butyl [2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate",""],["HM5","3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE","C14 H16 N4 O2 S","O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2;CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2;CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2","InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)","","2006-11-09","2011-06-04","3-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide",""],["CH2","METHYLENE GROUP","C H2","C;[CH2];[CH2]","InChI=1S/CH4/h1H4","","1999-07-08","2013-04-09","methane",""],["CH3","METHYL GROUP","C H4","C;C;C","InChI=1/CH4/h1H4","","1999-07-08","2008-10-14","methane",""],["HM6","4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid","C10 H8 N4 O5","O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O;OCc1cn(nn1)c2cc(nc(c2)C(O)=O)C(O)=O;c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO","InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)","HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID","2012-09-13","2021-03-01","4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid","2012-11-09"],["HM7","3-methylthioethane-pyrazinedione","C8 H10 N2 O3 S2","O=C1N=C(O)C(=NC1=C(/S)O)CCSC;CSCCC1=NC(=C(O)S)C(=O)N=C1O;CSCCC1=NC(=C(O)S)C(=O)N=C1O","InChI=1S/C8H10N2O3S2/c1-15-3-2-4-6(11)10-7(12)5(9-4)8(13)14/h13-14H,2-3H2,1H3,(H,10,11,12)/b8-5-","","2011-04-18","2024-09-27","(3Z)-6-hydroxy-3-[hydroxy(sulfanyl)methylidene]-5-[2-(methylsulfanyl)ethyl]pyrazin-2(3H)-one",""],["CH4","3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL","C8 H20 N4 O","O=CC(CNCCN)CNCCN;NCCNCC(CNCCN)C=O;C(CNCC(CNCCN)C=O)N","InChI=1S/C8H20N4O/c9-1-3-11-5-8(7-13)6-12-4-2-10/h7-8,11-12H,1-6,9-10H2","","2005-02-09","2024-09-27","3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal",""],["CH5","2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM","C8 H21 N O6 P","O=P(OCC(O)CO)(OCC[N+](C)(C)C)O;C[N+](C)(C)CCO[P](O)(=O)OC[CH](O)CO;C[N+](C)(C)CCOP(=O)(O)OCC(CO)O","InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1","GLYCERO-3-PHOSPHOCHOLINE","2005-08-12","2021-03-01","2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium",""],["HM8","2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid","C7 H10 N2 O7 S2","S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C;C[CH](O[S](O)(=O)=O)[CH](N)c1oc(O)c(n1)C(O)=S;CC(C(c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O","InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1","","2011-04-18","2024-09-27","2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid",""],["HM9","6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID","C9 H13 N5 O3 S","O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N;NC(=N)NCCCc1nc(C(S)=O)c(O)nc1O;C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N","InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16)","","2011-04-18","2024-09-27","6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-acid",""],["CH6","{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C16 H19 N3 O4 S","O=C1C(N=C(N1CC(=O)O)C(N)CCSC)=Cc2ccc(O)cc2;CSCC[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CSCCC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N","InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1","CHROMOPHORE (MET-TYR-GLY)","2004-08-30","2024-09-27","{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["CH7","[(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C17 H17 N3 O4","O=C2C(N=C(C1=NCCCC1)N2CC(=O)O)=Cc3ccc(O)cc3;OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C3=NCCCC3;c1cc(ccc1C=C2C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O","InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9-","CHROMOPHORE (LYS-TYR-GLY)","2004-08-31","2024-09-27","[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["HMA","HYDROXYAMINOALANINE","C3 H8 N2 O2","O=C(NO)C(N)C;C[CH](N)C(=O)NO;CC(C(=O)NO)N","InChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)/t2-/m0/s1","","1999-07-08","2011-06-04","N-hydroxy-L-alaninamide",""],["HMB","(4S)-4-hydroxy-4-methoxybutanoic acid","C5 H10 O4","O=C(O)CCC(O)OC;CO[CH](O)CCC(O)=O;COC(CCC(=O)O)O","InChI=1S/C5H10O4/c1-9-5(8)3-2-4(6)7/h5,8H,2-3H2,1H3,(H,6,7)/t5-/m0/s1","","1999-07-08","2024-09-27","(4S)-4-hydroxy-4-methoxybutanoic acid",""],["CH8","5-CHLORO-2-PHENOXYPHENOL","C12 H9 Cl O2","Clc2cc(O)c(Oc1ccccc1)cc2;Oc1cc(Cl)ccc1Oc2ccccc2;c1ccc(cc1)Oc2ccc(cc2O)Cl","InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H","","2012-03-04","2014-05-14","5-chloro-2-phenoxyphenol",""],["CH9","2-HYDROXYBIPHENYL","C12 H10 O","Oc2ccccc2c1ccccc1;Oc1ccccc1c2ccccc2;c1ccc(cc1)c2ccccc2O","InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H","1,1'-BIPHENYL-2-OL; 2-PHENYLPHENOL","2005-09-16","2020-06-17","biphenyl-2-ol","2015-08-19"],["HMC","5-HYDROXYMETHYL-CHONDURITOL","C7 H12 O5","OC1C(=CC(O)C(O)C1O)CO;OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O;C1=C(C(C(C(C1O)O)O)O)CO","InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1","","1999-07-08","2011-06-04","(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol",""],["HMD","4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE","C11 H10 Br N5 O2","O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N;NC1=NC(=O)C(=N1)[CH]2CCNC(=O)C3=NC(=C[CH]23)Br;C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br","InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1","HYMENIALDISINE","1999-12-16","2021-03-01","(3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one",""],["CHA","1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE","C9 H19 N O","OCC(N)CC1CCCCC1;N[CH](CO)CC1CCCCC1;C1CCC(CC1)CC(CO)N","InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1","","1999-07-08","2011-12-12","(2S)-2-amino-3-cyclohexylpropan-1-ol",""],["CHB","3-CHLORO-4-HYDROXYBENZOIC ACID","C7 H5 Cl O3","Clc1cc(C(=O)O)ccc1O;OC(=O)c1ccc(O)c(Cl)c1;c1cc(c(cc1C(=O)O)Cl)O","InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)","","1999-07-08","2011-06-04","3-chloro-4-hydroxybenzoic acid",""],["HME","PORPHYCENE CONTAINING FE","C34 H36 Fe N4 O4","O=C(O)CCC=8C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)C)CCC(=O)O;CCc1c(C)c2n3c1C=CC4=[N+]5C(=C6N7C(=CC=C8C(=C(C)C2=[N+]8[Fe]357)CC)C(=C6CCC(O)=O)C)C(=C4C)CCC(O)=O;CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C","InChI=1S/C34H38N4O4.Fe/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31;/h11-14H,7-10,15-16H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b13-11-,14-12-,25-11-,26-12-,27-13-,28-14-,32-31-,34-33-;","","2006-01-10","2011-06-04","{3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)",""],["HMF","2-AMINO-4-PHENYL-BUTYRIC ACID","C10 H13 N O2","O=C(O)C(N)CCc1ccccc1;N[CH](CCc1ccccc1)C(O)=O;c1ccc(cc1)CCC(C(=O)O)N","InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1","D-BETA-HOMOPHENYLALANINE","1999-07-08","2024-09-27","(2R)-2-amino-4-phenylbutanoic acid",""],["CHC","6-ETHYL-CHENODEOXYCHOLIC ACID","C26 H44 O4","O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C;CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCC(O)=O)[C]3(C)CC[CH]2[C]4(C)CC[CH](O)C[CH]14;CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O","InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1","","2003-04-18","2011-06-04","(3beta,5beta,6alpha,7beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid",""],["VFC","N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","C22 H19 F N8 O2","N#CC5CN(C(=O)C(NC(=O)c2cnc1ncc(nc12)c4nn(c3cc(F)ccc34)C)C)C5;C[CH](NC(=O)c1c[nH]c2ncc(nc12)c3nn(C)c4cc(F)ccc34)C(=O)N5C[CH](C5)C#N;CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F","InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1","","2012-11-16","2014-09-05","N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide","2013-09-25"],["CHD","CHOLIC ACID","C24 H40 O5","O=C(O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1","","2000-02-08","2011-06-04","(3alpha,5beta,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxycholan-24-oic acid",""],["VFD","Olodanrigan","C32 H29 N O5","N3(C(=O)C(c1ccccc1)c2ccccc2)Cc4c(CC3C(O)=O)c(c(cc4)OC)OCc5ccccc5;COc1ccc2CN([CH](Cc2c1OCc3ccccc3)C(O)=O)C(=O)C(c4ccccc4)c5ccccc5;COc1ccc2c(c1OCc3ccccc3)CC(N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O","InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1","EMA401; (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","2020-08-06","2022-02-04","(3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","2022-02-09"],["CHF","CYCLOHEXYLFLUOROSTATONE","C11 H19 F2 N O4","O=C(O)C(F)(F)C(O)(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O;C1CCC(CC1)CC(C(C(C(=O)O)(F)F)(O)O)N","InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1","","1999-07-08","2011-06-04","(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid",""],["CHG","CYCLOHEXYL-GLYCINE","C8 H15 N O2","O=C(O)C(N)C1CCCCC1;N[CH](C1CCCCC1)C(O)=O;C1CCC(CC1)C(C(=O)O)N","InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1","","1999-07-08","2024-09-27","(2S)-amino(cyclohexyl)ethanoic acid",""],["VFE","2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide","C20 H20 Cl N5 O2 S","CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl;CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl","InChI=1S/C20H20ClN5O2S/c1-22-19(27)11-25(20(28)12-29-18-5-3-2-4-17(18)21)10-15-6-8-16(9-7-15)26-14-23-13-24-26/h2-9,13-14H,10-12H2,1H3,(H,22,27)","","2021-05-14","2021-10-01","2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide","2021-10-06"],["VFF","methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate","C17 H16 N4 O2","COC(=O)c1ccc(cc1)c2nc(N)nc(N)c2C#CC3CC3;COC(=O)c1ccc(cc1)c2c(c(nc(n2)N)N)C#CC3CC3","InChI=1S/C17H16N4O2/c1-23-16(22)12-7-5-11(6-8-12)14-13(9-4-10-2-3-10)15(18)21-17(19)20-14/h5-8,10H,2-3H2,1H3,(H4,18,19,20,21)","","2023-03-06","2024-03-08","methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate","2024-03-13"],["CHH","N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM","C8 H18 N O","O=C(C)CCC[N+](C)(C)C;CC(=O)CCC[N+](C)(C)C;CC(=O)CCC[N+](C)(C)C","InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1","4-KETOAMYLTRIMETHYLAMMONIUM","2006-06-14","2020-06-17","N,N,N-trimethyl-4-oxopentan-1-aminium",""],["CHI","5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE","C23 H23 Cl F N3 O3","O=C(N1CCC(O)CC1)C(NC(=O)c3cc2cc(Cl)ccc2n3)Cc4ccc(F)cc4;O[CH]1CCN(CC1)C(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3[nH]c4ccc(Cl)cc4c3;c1cc(ccc1CC(C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F","InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1","","1999-10-18","2011-06-04","5-chloro-N-[(1S)-1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide",""],["VFG","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","C5 H8 N4 O3 S2","CCC(=O)Nc1nnc(S(N)(=O)=O)s1;CCC(=O)Nc1sc(nn1)[S](N)(=O)=O;CCC(=O)Nc1nnc(s1)S(=O)(=O)N","InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)","","2020-08-07","2020-10-30","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","2020-11-04"],["VFH","2-methyl-quinolin-4(1H)-one","C10 H9 N O","CC1=CC(=O)c2ccccc2N1;CC1=CC(=O)c2ccccc2N1","InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)","","2021-05-17","2022-05-27","2-methyl-1~{H}-quinolin-4-one","2022-06-01"],["CHJ","7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one","C16 H11 Cl O4","Clc3ccc(Oc2ccc1c(OC(=O)C=C1C)c2)c(O)c3;CC1=CC(=O)Oc2cc(Oc3ccc(Cl)cc3O)ccc12;CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl","InChI=1S/C16H11ClO4/c1-9-6-16(19)21-15-8-11(3-4-12(9)15)20-14-5-2-10(17)7-13(14)18/h2-8,18H,1H3","","2012-12-27","2013-11-01","7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one","2013-11-06"],["CHK","6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL","C16 H31 N O7","O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1;OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CC1CCCCC1;C1CCC(CC1)CC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O","InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1","C-HEGA-8; CYCLOHEXYLETHANOYL-N-HYDROXYETHYLGLUCOAMIDE","2004-11-24","2020-05-27","6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-D-allitol",""],["VFI","4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","C25 H24 N4 O2","COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](C)c5ccccc5)c24;Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)c5ccccc5)C","InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1","","2023-07-22","2024-03-22","4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","2024-03-27"],["VFJ","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide","C6 H10 N4 O3 S2","C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1;CCCC(=O)Nc1sc(nn1)[S](N)(=O)=O;CCCC(=O)Nc1nnc(s1)S(=O)(=O)N","InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)","","2020-08-07","2020-10-30","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide","2020-11-04"],["CHL","CHLOROPHYLL B","C55 H70 Mg N4 O6","CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C;CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C=O","InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+4/p-1/b34-25+;/t32-,33-,36?,40?,51-;/m1./s1","","1999-07-08","2019-04-16","",""],["CHM","1,3-DICHLORO-PROPAN-2-ONE","C3 H4 Cl2 O","ClCC(=O)CCl;C(C(=O)CCl)Cl","InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2","Bis(chloromethyl) ketone","2002-11-15","2024-09-27","1,3-dichloropropan-2-one",""],["VFL","(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol","C11 H17 N O2","NCC(O)COc1ccc(C)cc1C;Cc1ccc(OC[CH](O)CN)c(C)c1;Cc1ccc(c(c1)C)OCC(CN)O","InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1","","2022-08-29","2022-10-28","(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol","2022-11-02"],["VFM","2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","C6 H10 N4 O3 S2","CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1;CC(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O;CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N","InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)","","2020-08-10","2020-10-30","2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","2020-11-04"],["CHN","4-AMINOMETHYL-CYCLOHEXYLAMINE","C7 H16 N2","NCC1CCC(N)CC1;NC[CH]1CC[CH](N)CC1;C1CC(CCC1CN)N","InChI=1S/C7H16N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-5,8-9H2/t6-,7-","","1999-10-29","2011-06-04","trans-4-(aminomethyl)cyclohexanamine",""],["CHO","GLYCOCHENODEOXYCHOLIC ACID","C26 H43 N O5","O=C(O)CNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C;C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1","","1999-07-08","2012-12-21","N-[(3alpha,5beta,7beta,8alpha)-3,7-dihydroxy-24-oxocholan-24-yl]glycine",""],["VFN","~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide","C19 H16 Cl N5 O2 S","Nc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1;c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl","InChI=1S/C19H16ClN5O2S/c20-15-3-1-2-4-16(15)28-12-18(26)25(11-17-23-24-19(22)27-17)10-14-7-5-13(9-21)6-8-14/h1-8H,10-12H2,(H2,22,24)","","2021-05-18","2021-10-08","~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide","2021-10-13"],["VFO","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide","C29 H36 F2 N4 O4 S","Cc1ncsc1c2cc3CCC[CH](NC(=O)[CH]4C[CH](O)CN4C(=O)[CH](NC(=O)C5(F)CC5)C(C)(C)C)c3cc2F;Cc1c(scn1)c2cc3c(cc2F)C(CCC3)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)NC(=O)C5(CC5)F)O","InChI=1S/C29H36F2N4O4S/c1-15-23(40-14-32-15)19-10-16-6-5-7-21(18(16)12-20(19)30)33-25(37)22-11-17(36)13-35(22)26(38)24(28(2,3)4)34-27(39)29(31)8-9-29/h10,12,14,17,21-22,24,36H,5-9,11,13H2,1-4H3,(H,33,37)(H,34,39)/t17-,21+,22+,24-/m1/s1","","2023-03-06","2023-09-22","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-09-27"],["CHP","3-CHLORO-4-HYDROXYPHENYLGLYCINE","C8 H8 Cl N O3","Clc1cc(ccc1O)C(C(=O)O)N;N[CH](C(O)=O)c1ccc(O)c(Cl)c1;c1cc(c(cc1C(C(=O)O)N)Cl)O","InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1","","1999-07-08","2024-09-27","(2S)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid",""],["CHQ","CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR","C11 H14 N4 O2","O=C1N3CCCC3C(=O)NC1Cc2cncn2;O=C1N[CH](Cc2[nH]cnc2)C(=O)N3CCC[CH]13;c1c([nH]cn1)CC2C(=O)N3CCCC3C(=O)N2","InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1","(3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE","2004-06-24","2020-06-17","(3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",""],["VFP","6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione","C20 H17 N3 O4","c21occc1c(ncc2)Oc3ccc(c(c3)C)C4=C(C(NC(N4C)=O)=O)C;CN1C(=O)NC(=O)C(=C1c2ccc(Oc3nccc4occc34)cc2C)C;Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3","InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)","","2020-08-10","2021-04-09","6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione","2021-04-14"],["VFR","(3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide","C10 H13 N3 O2","N=C(NO)CC(=O)NCc1ccccc1;ONC(=N)CC(=O)NCc1ccccc1;c1ccc(cc1)CNC(=O)CC(=N)NO","InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(H,12,14)","","2022-08-29","2022-10-28","(3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide","2022-11-02"],["CHR","NEOCARZINOSTATIN-CHROMOPHORE","C35 H33 N O12","O=C1OCC(O1)C23C#CC=7C(=CC#CC3O2)C(OC4OC(C(O)C(O)C4NC)C)C(OC(=O)c6c5cc(OC)cc(c5ccc6O)C)C=7;CN[CH]1[CH](O)[CH](O)[CH](C)O[CH]1O[CH]2[CH](OC(=O)c3c(O)ccc4c(C)cc(OC)cc34)C=C5C#C[C]6(O[CH]6C#CC=C25)[CH]7COC(=O)O7;Cc1cc(cc2c1ccc(c2C(=O)OC3C=C4C#CC5(C(O5)C#CC=C4C3OC6C(C(C(C(O6)C)O)O)NC)C7COC(=O)O7)O)OC","InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1","NCS-CHROMOPHORE","1999-07-08","2020-06-17","(1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate",""],["CHS","4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID","C11 H21 N O3","O=C(O)CC(O)C(N)CC1CCCCC1;N[CH](CC1CCCCC1)[CH](O)CC(O)=O;C1CCC(CC1)CC(C(CC(=O)O)O)N","InChI=1S/C11H21NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1","","1999-07-08","2024-09-27","4-amino-5-cyclohexyl-2,4,5-trideoxy-L-threo-pentonic acid",""],["VFS","N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide","C19 H19 N3 O3","c2(c(ccc(C(=O)NC(CO)c1ccccc1)c2)c3cnnc3)OC;COc1cc(ccc1c2c[nH]nc2)C(=O)N[CH](CO)c3ccccc3;COc1cc(ccc1c2c[nH]nc2)C(=O)NC(CO)c3ccccc3","InChI=1S/C19H19N3O3/c1-25-18-9-14(7-8-16(18)15-10-20-21-11-15)19(24)22-17(12-23)13-5-3-2-4-6-13/h2-11,17,23H,12H2,1H3,(H,20,21)(H,22,24)/t17-/m1/s1","","2020-08-10","2020-08-28","N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide","2020-09-02"],["VFT","2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide","C20 H17 Cl N4 O S","Clc1ccccc1SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3;c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl","InChI=1S/C20H17ClN4OS/c21-18-3-1-2-4-19(18)27-13-20(26)25(12-17-10-23-14-24-17)11-16-7-5-15(9-22)6-8-16/h1-8,10,14H,11-13H2,(H,23,24)","","2021-05-18","2021-10-08","2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide","2021-10-13"],["CHT","CHOLINE ION","C5 H14 N O","OCC[N+](C)(C)C;C[N+](C)(C)CCO;C[N+](C)(C)CCO","InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1","","2001-02-07","2024-09-27","2-hydroxy-N,N,N-trimethylethanaminium",""],["VFU","5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine","C16 H15 F3 N4","Nc1nc(N)c(C=CC2CC2)c(n1)c3ccc(cc3)C(F)(F)F;c1cc(ccc1c2c(c(nc(n2)N)N)C=CC3CC3)C(F)(F)F","InChI=1S/C16H15F3N4/c17-16(18,19)11-6-4-10(5-7-11)13-12(8-3-9-1-2-9)14(20)23-15(21)22-13/h3-9H,1-2H2,(H4,20,21,22,23)/b8-3+","","2023-03-06","2024-03-08","5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine","2024-03-13"],["CHU","N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide","C21 H18 F N5 O5 S","O=S(=O)(NC)Nc1nccc(c1F)CC2=C(c4c(OC2=O)cc(Oc3ncccn3)cc4)C;CN[S](=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F;CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC","InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)","CH5126766","2013-10-01","2021-03-01","N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide","2014-06-04"],["VFV","N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","C32 H23 F2 N5 O2","Fc1ccc(cc1)c2ccc(c(F)c2)C(NC(=O)c5ccc(c3nnc(o3)c4ccccc4)cc5)Cn6ccnc6;Fc1ccc(cc1)c2ccc([CH](Cn3ccnc3)NC(=O)c4ccc(cc4)c5oc(nn5)c6ccccc6)c(F)c2;c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F","InChI=1S/C32H23F2N5O2/c33-26-13-10-21(11-14-26)25-12-15-27(28(34)18-25)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)/t29-/m0/s1","","2012-08-01","2013-07-19","N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","2013-07-24"],["CHV","3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one","C15 H9 Cl O5","Clc3ccc(OC1=Cc2c(OC1=O)cc(O)cc2)c(O)c3;Oc1ccc2C=C(Oc3ccc(Cl)cc3O)C(=O)Oc2c1;c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl","InChI=1S/C15H9ClO5/c16-9-2-4-12(11(18)6-9)20-14-5-8-1-3-10(17)7-13(8)21-15(14)19/h1-7,17-18H","","2012-12-27","2013-11-01","3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one","2013-11-06"],["VFW","2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide","C22 H25 N5 O3","CCc1ccccc1OCC(=O)N(CC(=O)NC)Cc2ccc(cc2)n3cncn3;CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC","InChI=1S/C22H25N5O3/c1-3-18-6-4-5-7-20(18)30-14-22(29)26(13-21(28)23-2)12-17-8-10-19(11-9-17)27-16-24-15-25-27/h4-11,15-16H,3,12-14H2,1-2H3,(H,23,28)","","2021-05-18","2021-10-08","2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide","2021-10-13"],["CHW","3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde","C19 H25 Cl O4","Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C(O)C)C=O)C;C[CH](O)C(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O;Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C(C)O)O)C=O","InChI=1S/C19H25ClO4/c1-11(6-5-7-12(2)14(4)22)8-9-15-18(23)16(10-21)13(3)17(20)19(15)24/h7-8,10,14,22-24H,5-6,9H2,1-4H3/b11-8+,12-7+/t14-/m0/s1","","2011-04-26","2013-03-08","3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde","2013-03-13"],["CHX","CYCLOHEXANE","C6 H12","C1CCCCC1;C1CCCCC1;C1CCCCC1","InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2","","1999-07-08","2024-09-27","cyclohexane",""],["VFX","1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol","C17 H27 N O2","OC1(CCCCC1)C(CN(C)C)c1ccc(OC)cc1;COc1ccc(cc1)[CH](CN(C)C)C2(O)CCCCC2;CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O","InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1","","2022-11-14","2023-01-27","1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol","2023-02-01"],["CHZ","1,8-dihydroxyanthracene-9,10-dione","C14 H8 O4","O=C2c1cccc(O)c1C(=O)c3c2cccc3O;Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12;c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O","InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H","Chrysazin","2009-06-08","2020-06-17","1,8-dihydroxyanthracene-9,10-dione",""],["VFY","methyl (4R)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate","C16 H15 F3 N2 O4","O=[N+]([O-])C=1C(C(=C(C)NC=1C)C(=O)OC)c1ccccc1C(F)(F)F;COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N+]([O-])=O)C;CC1=C(C(C(=C(N1)C)[N+](=O)[O-])c2ccccc2C(F)(F)F)C(=O)OC","InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m1/s1","","2020-08-10","2026-04-06","methyl (4R)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate","2020-11-18"],["VFZ","~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide","C17 H16 Cl N5 O3 S","Nc1oc(CN(CC2=CNC(=O)C=C2)C(=O)CSc3ccccc3Cl)nn1;c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl","InChI=1S/C17H16ClN5O3S/c18-12-3-1-2-4-13(12)27-10-16(25)23(9-15-21-22-17(19)26-15)8-11-5-6-14(24)20-7-11/h1-7H,8-10H2,(H2,19,22)(H,20,24)","","2021-05-18","2021-10-01","~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide","2021-10-06"],["CI0","1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one","C21 H31 N5 O2","CC(C(=O)N1CC(C)NC(C)C1)N1CCC(CC1)N1c2ccccc2NC1=O;C[CH]1CN(C[CH](C)N1)C(=O)[CH](C)N2CCC(CC2)N3C(=O)Nc4ccccc34;CC1CN(CC(N1)C)C(=O)C(C)N2CCC(CC2)N3c4ccccc4NC3=O","InChI=1S/C21H31N5O2/c1-14-12-25(13-15(2)22-14)20(27)16(3)24-10-8-17(9-11-24)26-19-7-5-4-6-18(19)23-21(26)28/h4-7,14-17,22H,8-13H2,1-3H3,(H,23,28)/t14-,15-,16+/m1/s1","","2021-11-22","2023-01-20","1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one","2023-01-25"],["CI1","(2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid","C23 H24 Cl N O6 S","O=S(=O)(N2CCCC(C(=O)C=C(/O)C(=O)O)(Cc1ccc(Cl)cc1)C2)Cc3ccccc3;OC(=O)C(O)=CC(=O)[C]1(CCCN(C1)[S](=O)(=O)Cc2ccccc2)Cc3ccc(Cl)cc3;c1ccc(cc1)CS(=O)(=O)N2CCCC(C2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)O)O","InChI=1S/C23H24ClNO6S/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)32(30,31)15-18-5-2-1-3-6-18/h1-3,5-10,13,26H,4,11-12,14-16H2,(H,28,29)/b20-13-/t23-/m0/s1","","2012-06-04","2014-09-05","(2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid","2012-08-24"],["VG0","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide","C32 H48 N4 O3","O=C(NC(Cc1ccccc1)C(O)CNC(C)(C)CCCC(C)C)c2cc(cc(c2)N3C(=O)CCC3)NCC;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNC(C)(C)CCCC(C)C)N3CCCC3=O;CCNc1cc(cc(c1)N2CCCC2=O)C(=O)NC(Cc3ccccc3)C(CNC(C)(C)CCCC(C)C)O","InChI=1S/C32H48N4O3/c1-6-33-26-19-25(20-27(21-26)36-17-11-15-30(36)38)31(39)35-28(18-24-13-8-7-9-14-24)29(37)22-34-32(4,5)16-10-12-23(2)3/h7-9,13-14,19-21,23,28-29,33-34,37H,6,10-12,15-18,22H2,1-5H3,(H,35,39)/t28-,29+/m0/s1","","2007-11-30","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide",""],["VG1","ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE","C6 H13 O12 P V","O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O;O[CH]1[CH](O)[CH](CO[V](O)(=O)=O)O[CH](O[P](O)(O)=O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O","InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6-;;;;/m1..../s1","","1999-08-24","2025-11-11","hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium",""],["CI2","(5BETA)-PREGNANE-3,20-DIONE","C21 H32 O2","O=C(C)C2C1(CCC4C(C1CC2)CCC3CC(=O)CCC34C)C;CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C","InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1","","2004-11-16","2011-06-04","(5alpha,8alpha,10alpha,14beta,17alpha)-pregnane-3,20-dione",""],["CI3","(2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid","C23 H24 Cl N O4","O=C(O)C(O)=CC(=O)C2(CCCN(Cc1ccccc1)C2)Cc3ccc(Cl)cc3;OC(=O)C(O)=CC(=O)[C]1(CCCN(Cc2ccccc2)C1)Cc3ccc(Cl)cc3;c1ccc(cc1)CN2CCCC(C2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)O)O","InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10,13,26H,4,11-12,14-16H2,(H,28,29)/b20-13-/t23-/m0/s1","","2012-06-03","2014-09-05","(2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid",""],["VG2","4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide","C22 H28 Cl N3 O2","O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(cc(Cl)c2)N3CCCCC3;Cc1cc(cc(C)c1OCCN)C(=O)Nc2cc(Cl)cc(c2)N3CCCCC3;Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3","InChI=1S/C22H28ClN3O2/c1-15-10-17(11-16(2)21(15)28-9-6-24)22(27)25-19-12-18(23)13-20(14-19)26-7-4-3-5-8-26/h10-14H,3-9,24H2,1-2H3,(H,25,27)","","2007-12-05","2011-06-04","4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",""],["VG3","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide","C31 H45 N3 O5 S","O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cccc(c2)S(=O)(=O)CCCCC)Cc3ccccc3)C;CCCCC[S](=O)(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CN[CH](C)C(=O)NC3CCCCC3;CCCCCS(=O)(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(CNC(C)C(=O)NC3CCCCC3)O","InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1","","2007-12-06","2011-06-04","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide",""],["CI4","2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one","C15 H11 Cl F N O3","Clc1cccc(c1F)CN3C(=O)c2c(O)c(O)ccc2C3;Oc1ccc2CN(Cc3cccc(Cl)c3F)C(=O)c2c1O;c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O","InChI=1S/C15H11ClFNO3/c16-10-3-1-2-9(13(10)17)7-18-6-8-4-5-11(19)14(20)12(8)15(18)21/h1-5,19-20H,6-7H2","XZ-116","2012-10-08","2020-06-17","2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one","2012-10-26"],["CI5","(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide","C24 H24 N4 O3","CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34;CCC(c1cccc2c1cccc2)NC(=O)C3CN(C(=O)O3)c4ccc(cc4)C(=N)N","InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1","","2021-12-14","2022-11-18","(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide","2022-11-23"],["VG4","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide","C33 H44 N4 O5","O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(OCCC)cc(c2)N3C=CCC3=O)Cc4ccccc4)C;CCCOc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CN[CH](C)C(=O)NC3CCCCC3)N4C=CCC4=O;CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)NC(Cc3ccccc3)C(CNC(C)C(=O)NC4CCCCC4)O","InChI=1S/C33H44N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,10-12,16,19-21,23,26,29-30,34,38H,3,5,8-9,13-15,17-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1","","2007-12-06","2011-06-04","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide",""],["VG5"," N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide","C32 H45 N5 O4","O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4)C;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CN[CH](C)C(=O)NC3CCCCC3)N4CCCC4=O;CCNc1cc(cc(c1)N2CCCC2=O)C(=O)NC(Cc3ccccc3)C(CNC(C)C(=O)NC4CCCCC4)O","InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1","","2007-12-06","2011-06-04","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide",""],["CI7","3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide","C19 H17 Br Cl N3 O3 S","CS(=O)(=O)NC(=O)CCc1cn(nc1c1ccc(Cl)cc1)c1ccc(Br)cc1;C[S](=O)(=O)NC(=O)CCc1cn(nc1c2ccc(Cl)cc2)c3ccc(Br)cc3;CS(=O)(=O)NC(=O)CCc1cn(nc1c2ccc(cc2)Cl)c3ccc(cc3)Br","InChI=1S/C19H17BrClN3O3S/c1-28(26,27)23-18(25)11-4-14-12-24(17-9-5-15(20)6-10-17)22-19(14)13-2-7-16(21)8-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,25)","","2021-11-22","2022-11-11","3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide","2022-11-16"],["CI8","2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid","C29 H36 F2 N3 O7 S","COc1cc2sc(CNC(=O)C3(CC(O)=O)Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+](C)(CCO)CCO;C[N+](CCCOc1cc2c(cc1OC)sc(n2)CNC(=O)C3(Cc4cc(c(cc4C3)F)F)CC(=O)O)(CCO)CCO","InChI=1S/C29H35F2N3O7S/c1-34(5-7-35,6-8-36)4-3-9-41-24-12-22-25(13-23(24)40-2)42-26(33-22)17-32-28(39)29(16-27(37)38)14-18-10-20(30)21(31)11-19(18)15-29/h10-13,35-36H,3-9,14-17H2,1-2H3,(H-,32,37,38,39)/p+1","","2021-12-14","2022-12-16","3-[[2-[[[5,6-bis(fluoranyl)-2-(2-hydroxy-2-oxoethyl)-1,3-dihydroinden-2-yl]carbonylamino]methyl]-6-methoxy-1,3-benzothiazol-5-yl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium","2022-12-21"],["VG6","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide","C31 H35 F3 N4 O3","FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(c3)C(F)(F)F)N4CCCC4=O;CCNc1cc(cc(c1)N2CCCC2=O)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)C(F)(F)F)O","InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1","","2007-12-06","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide",""],["VG7","N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide","C29 H40 N4 O3","O=C(NC(Cc1ccccc1)C(O)CNC2CCCCC2)c3cc(cc(c3)N4C(=O)CCC4)NCC;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNC3CCCCC3)N4CCCC4=O;CCNc1cc(cc(c1)N2CCCC2=O)C(=O)NC(Cc3ccccc3)C(CNC4CCCCC4)O","InChI=1S/C29H40N4O3/c1-2-30-24-17-22(18-25(19-24)33-15-9-14-28(33)35)29(36)32-26(16-21-10-5-3-6-11-21)27(34)20-31-23-12-7-4-8-13-23/h3,5-6,10-11,17-19,23,26-27,30-31,34H,2,4,7-9,12-16,20H2,1H3,(H,32,36)/t26-,27+/m0/s1","","2007-12-07","2011-06-04","N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide",""],["CI9","N-{[(1S)-1-carboxy-5-{4-[13-(2,4-dinitroanilino)-2,5,8,11-tetraoxatridecan-1-yl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-L-glutamic acid","C29 H42 N8 O15","O=C(O)C(CCC(=O)O)NC(=O)NC(CCCCn1cc(nn1)COCCOCCOCCOCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)O;OC(=O)CC[CH](NC(=O)N[CH](CCCCn1cc(COCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCOCCOCCOCCOCc2cn(nn2)CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C29H42N8O15/c38-26(39)7-6-24(28(42)43)32-29(44)31-23(27(40)41)3-1-2-9-35-18-20(33-34-35)19-52-16-15-51-14-13-50-12-11-49-10-8-30-22-5-4-21(36(45)46)17-25(22)37(47)48/h4-5,17-18,23-24,30H,1-3,6-16,19H2,(H,38,39)(H,40,41)(H,42,43)(H2,31,32,44)/t23-,24-/m0/s1","","2010-05-14","2026-04-04","N-{[(1S)-1-carboxy-5-{4-[13-(2,4-dinitroanilino)-2,5,8,11-tetraoxatridecan-1-yl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-L-glutamic acid",""],["CIA","6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE","C22 H19 N3 O4","O=C1N(C)CC(=O)N6C1Cc3c2ccccc2nc3C6c4ccc5OCOc5c4;CN1CC(=O)N2[CH](Cc3c([nH]c4ccccc34)[CH]2c5ccc6OCOc6c5)C1=O;CN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccc6c(c5)OCO6","InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1","TADALAFIL; CIALIS","2003-05-08","2020-05-27","(6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione",""],["VG8","4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one","C30 H36 Cl N7 O2","Clc1cnc(nc1Nc2ccc(c3c2C(=O)N(C)C3)N5CCC(N4CCCCC4)CC5)Nc6ccccc6OC;COc1ccccc1Nc2ncc(Cl)c(Nc3ccc(N4CCC(CC4)N5CCCCC5)c6CN(C)C(=O)c36)n2;CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6","InChI=1S/C30H36ClN7O2/c1-36-19-21-25(38-16-12-20(13-17-38)37-14-6-3-7-15-37)11-10-24(27(21)29(36)39)33-28-22(31)18-32-30(35-28)34-23-8-4-5-9-26(23)40-2/h4-5,8-11,18,20H,3,6-7,12-17,19H2,1-2H3,(H2,32,33,34,35)","","2008-08-29","2011-06-04","4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one",""],["VG9","6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE","C19 H24 N6 O2","n1cc(c(c2c1nc(nc2N)N)C)CNc3cc(OCC)ccc3OCC;CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1;CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC","InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)","","2008-11-11","2011-06-04","6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine",""],["CIB","2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE","C20 H37 N3 O4","O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C)CC(C)C)C;CCCC[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(C)=O)C=O;CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C","InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1","CALPAIN IHIBITOR I","2003-01-22","2020-06-17","N-acetyl-L-leucyl-N-[(1S)-1-formylpentyl]-L-leucinamide",""],["CIC","CITRYL-THIOETHER-COENZYME *A","C27 H44 N7 O21 P3 S","O=C(O)C(O)(CC(=O)O)CCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC[C](O)(CC(O)=O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCC(CC(=O)O)(C(=O)O)O)O","InChI=1S/C27H44N7O21P3S/c1-26(2,20(39)23(40)30-5-3-15(35)29-6-8-59-7-4-27(43,25(41)42)9-16(36)37)11-52-58(49,50)55-57(47,48)51-10-14-19(54-56(44,45)46)18(38)24(53-14)34-13-33-17-21(28)31-12-32-22(17)34/h12-14,18-20,24,38-39,43H,3-11H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,47,48)(H,49,50)(H2,28,31,32)(H2,44,45,46)/t14-,18-,19-,20+,24-,27-/m1/s1","","1999-07-08","2011-06-04","(2S)-2-{(12R,16S,18R)-20-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-12,16,18-trihydroxy-13,13-dimethyl-16,18-dioxido-7,11-dioxo-15,17,19-trioxa-3-thia-6,10-diaza-16,18-diphosphaicos-1-yl}-2-hydroxybutanedioic acid (non-preferred name)",""],["VGA","1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL","C22 H19 N3 O S","N2=C(c4ccccc4N=C(N1CC(O)C1)C2c3sccc3)c5ccccc5;O[CH]1CN(C1)C2=Nc3ccccc3C(=N[CH]2c4sccc4)c5ccccc5;c1ccc(cc1)C2=NC(C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5","InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2/t21-/m1/s1","","2008-11-25","2011-06-04","1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol",""],["VGB","(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium","C19 H26 N3 O4","O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)CO)CC;CCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)[n+]2cc(CCc3ccccc3)[nH]c12;CCC(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO)CCc3ccccc3","InChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/p+1/t14-,16-,17-,18-/m1/s1","","2009-02-23","2011-06-04","(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium",""],["CID","6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME","C19 H12 Cl3 N3 O S","Clc1ccc(cc1Cl)CON=Cc3n4ccsc4nc3c2ccc(Cl)cc2;Clc1ccc(cc1)c2nc3sccn3c2C=NOCc4ccc(Cl)c(Cl)c4;c1cc(ccc1c2c(n3ccsc3n2)C=NOCc4ccc(c(c4)Cl)Cl)Cl","InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+","","2004-11-17","2011-06-04","6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime",""],["CIE","2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER","C15 H15 Cl N4 O6 S","O=C(Nc1nc(OC)cc(Cl)n1)NS(=O)(=O)c2ccccc2C(=O)OCC;CCOC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(Cl)cc(OC)n2;CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC","InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)","CHLORIMURON ETHYL","2002-11-01","2021-03-01","ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate",""],["VGC","6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID","C20 H21 N O2 S","O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC4;Cn1c2cc(sc2c(C3CCCCC3)c1c4ccccc4)C(O)=O;Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O","InChI=1S/C20H21NO2S/c1-21-15-12-16(20(22)23)24-19(15)17(13-8-4-2-5-9-13)18(21)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,23)","","2009-03-17","2011-06-04","6-cyclohexyl-4-methyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid",""],["VGD","6-chloro-1H-benzimidazol-2-amine","C7 H6 Cl N3","Clc2cc1c(nc(n1)N)cc2;Nc1[nH]c2cc(Cl)ccc2n1;c1cc2c(cc1Cl)[nH]c(n2)N","InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)","","2009-03-23","2011-06-04","6-chloro-1H-benzimidazol-2-amine",""],["CIF","methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate","C33 H32 N6 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3;Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)NC(=O)C5CC(CCC5=O)(C)C(=O)OC","InChI=1S/C33H32N6O5/c1-20-16-24(9-10-26(20)38-32-35-15-12-27(39-32)22-7-5-14-34-19-22)36-29(41)21-6-4-8-23(17-21)37-30(42)25-18-33(2,31(43)44-3)13-11-28(25)40/h4-10,12,14-17,19,25H,11,13,18H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/t25-,33+/m0/s1","","2023-07-17","2024-09-27","methyl (1~{R},3~{S})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate","2024-07-24"],["CIG","2-AMINO-6-CHLOROPYRAZINE","C4 H4 Cl N3","Clc1nc(N)cnc1;Nc1cncc(Cl)n1;c1c(nc(cn1)Cl)N","InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)","","2004-11-12","2014-05-16","6-chloropyrazin-2-amine",""],["VGF","1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE","C20 H15 Cl2 N3","Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4;Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4;c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl","InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)","","2009-03-20","2011-06-04","1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine",""],["VGG","1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H21 N5","n1c(c2c(nc1)n(nc2Cc3cccc(c3)C)C(C)(C)C)N;Cc1cccc(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1;Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N","InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)","","2009-03-31","2011-06-04","1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["CIH","(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide","C17 H12 Cl2 N2 O2","Clc2cc(ccc2c1c(Cl)cccc1)NC(=O)C(/C#N)=C(O)C;CC(O)=C(C#N)C(=O)Nc1ccc(c(Cl)c1)c2ccccc2Cl;CC(=C(C#N)C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)O","InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,22H,1H3,(H,21,23)/b14-10-","","2008-12-16","2011-06-04","(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide",""],["CII","N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide","C17 H25 N3 O2","O=C(Nc1ccncc1)C(NC(=O)C2CCCCC2)C(C)C;CC(C)[CH](NC(=O)C1CCCCC1)C(=O)Nc2ccncc2;CC(C)C(C(=O)Nc1ccncc1)NC(=O)C2CCCCC2","InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1","","2008-08-12","2011-06-04","N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide",""],["VGH","3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine","C21 H22 Cl2 F N5 O","Clc1ccc(F)c(Cl)c1C(Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4)C;C[CH](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl;CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4","InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1","CRIZOTINIB","2009-04-20","2020-06-17","3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",""],["VGI","2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione","C20 H15 Br N2 O3","Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO;OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c4cccc(Br)c4;c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O","InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2","","2009-05-05","2019-01-15","2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione",""],["CIJ","2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione","C15 H9 Cl F N O4","Fc1ccc(cc1Cl)CN3C(=O)c2ccc(O)c(O)c2C3=O;Oc1ccc2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O;c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F","InChI=1S/C15H9ClFNO4/c16-9-5-7(1-3-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2","","2012-10-08","2014-09-05","2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione","2012-10-26"],["CIL","CILASTATIN","C16 H26 N2 O5 S","O=C(NC(=C/CCCCSCC(C(=O)O)N)C(=O)O)C1CC1(C)C;CC1(C)C[CH]1C(=O)NC(=CCCCCSCC(N)C(O)=O)C(O)=O;CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C","InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11?/m1/s1","","2002-02-06","2012-01-05","(2Z)-7-[(2-amino-2-carboxyethyl)sulfanyl]-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid",""],["VGJ","(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid","C20 H40 O2","O=C(O)CC(CCCC(C)CCCC(C)CCCC(C)C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(O)=O;CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O","InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m0/s1","","2009-06-30","2026-03-13","(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid",""],["VGK","4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID","C21 H20 N2 O5","O=C(O)c1ccc(cc1)c2cc(cnc2N)c3cc(OC)c(OC)c(OC)c3;COc1cc(cc(OC)c1OC)c2cnc(N)c(c2)c3ccc(cc3)C(O)=O;COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O","InChI=1S/C21H20N2O5/c1-26-17-9-14(10-18(27-2)19(17)28-3)15-8-16(20(22)23-11-15)12-4-6-13(7-5-12)21(24)25/h4-11H,1-3H3,(H2,22,23)(H,24,25)","","2009-08-24","2011-06-04","4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid",""],["CIN","4-CARBOXYCINNAMIC ACID","C10 H8 O4","O=C(O)c1ccc(C=CC(=O)O)cc1;OC(=O)C=Cc1ccc(cc1)C(O)=O;c1cc(ccc1C=CC(=O)O)C(=O)O","InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+","","1999-07-08","2024-09-27","4-[(E)-2-carboxyethenyl]benzoic acid",""],["CIO","CILOMILAST","C20 H25 N O4","O=C(O)C3CCC(C#N)(c2cc(OC1CCCC1)c(OC)cc2)CC3;COc1ccc(cc1OC2CCCC2)[C]3(CC[CH](CC3)C(O)=O)C#N;COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N","InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-","CIS-4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]CYCLOHEXANECARBOXYLIC ACID","2004-10-18","2021-03-01","cis-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid",""],["VGL","PYRAZINE-2-CARBOXYLIC ACID","C5 H4 N2 O2","O=C(O)c1nccnc1;OC(=O)c1cnccn1;c1cnc(cn1)C(=O)O","InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)","PYRAZINOIC ACID","2009-09-15","2025-03-12","pyrazine-2-carboxylic acid",""],["VGM","4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE","C19 H17 N3 O3","O=C(N)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)c(OC)c3;COc1cc(ccc1O)c2cnc(N)c(c2)c3ccc(cc3)C(N)=O;COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N","InChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)","","2009-09-15","2011-06-04","4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide",""],["CIP","INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE","C7 H13 O7 P","O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O;O[CH]1[CH](O)[CH](O)[CH]2O[P](O)(=O)C[CH]2[CH]1O;C1C2C(C(C(C(C2OP1(=O)O)O)O)O)O","InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1","","1999-07-08","2011-06-04","(2R,3aR,4S,5R,6S,7R,7aR)octahydro-1,2-benzoxaphosphole-2,4,5,6,7-pentol 2-oxide",""],["CIQ","2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine","C30 H47 N5 O2","O(c5cc2c(nc(nc2NC1CCN(C(C)C)CC1)C3CCCCC3)cc5OCCCN4CCCC4)C;COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5;CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC","InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)","","2010-06-25","2011-06-04","2-cyclohexyl-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine",""],["VGN","2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID","C21 H17 N O3","O=C(O)c3cc(c2ccc(c1ccccc1)cc2)ccc3NC(=O)C;CC(=O)Nc1ccc(cc1C(O)=O)c2ccc(cc2)c3ccccc3;CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3","InChI=1S/C21H17NO3/c1-14(23)22-20-12-11-18(13-19(20)21(24)25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)","","2009-10-15","2011-06-04","4-(acetylamino)-1,1':4',1''-terphenyl-3-carboxylic acid",""],["VGO","(3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid","C6 H11 N O5","O[CH]1[CH](CNCC1(O)O)C(O)=O;C1C(C(C(CN1)(O)O)O)C(=O)O","InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4-/m0/s1","","2023-03-06","2024-01-05","(3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid","2024-01-10"],["CIR","CITRULLINE","C6 H13 N3 O3","O=C(O)C(N)CCCNC(=O)N;N[CH](CCCNC(N)=O)C(O)=O;C(CC(C(=O)O)N)CNC(=O)N","InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1","","1999-07-08","2024-09-27","N~5~-carbamoyl-L-ornithine",""],["CIS","(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE","C48 H91 N O11 S","O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O","InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1","(2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL; CIS-TETRACOSENOYL SULFATIDE","2005-09-26","2020-06-17","(15Z)-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracos-15-enamide",""],["VGP","(1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol","C27 H28 O9","OC1C(OC(C(O)C)C1O)c5c4c3OC(O)c2cc(C=C)cc(OC)c2c3cc(OC)c4c(O)cc5;COc1cc(C=C)cc2[CH](O)Oc3c(cc(OC)c4c(O)ccc([CH]5O[CH]([CH](C)O)[CH](O)[CH]5O)c34)c12;CC(C1C(C(C(O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)C(O4)O)O)O)O)O","InChI=1S/C27H28O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26-32H,1H2,2-4H3/t11-,22-,23-,24+,26-,27-/m1/s1","pregilvocarcin V","2010-11-30","2021-03-01","(1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol",""],["VGQ","2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide","C19 H15 Cl N4 O3 S","Oc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1;c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl","InChI=1S/C19H15ClN4O3S/c20-15-3-1-2-4-16(15)28-12-18(25)24(11-17-22-23-19(26)27-17)10-14-7-5-13(9-21)6-8-14/h1-8H,10-12H2,(H,23,26)","","2021-05-18","2021-10-01","2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide","2021-10-06"],["CIT","CITRIC ACID","C6 H8 O7","O=C(O)CC(O)(C(=O)O)CC(=O)O;OC(=O)CC(O)(CC(O)=O)C(O)=O;C(C(=O)O)C(CC(=O)O)(C(=O)O)O","InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)","","1999-07-08","2024-09-27","2-hydroxypropane-1,2,3-tricarboxylic acid",""],["CIU","N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA","C13 H17 I N2 O","O=C(NC1CCCCC1)Nc2ccc(I)cc2;Ic1ccc(NC(=O)NC2CCCCC2)cc1;c1cc(ccc1NC(=O)NC2CCCCC2)I","InChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)","","2000-03-21","2011-06-04","1-cyclohexyl-3-(4-iodophenyl)urea",""],["VGS","2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","C7 H12 N4 O3 S2","CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C;CC(C)(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O;CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N","InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)","","2020-08-10","2020-10-30","2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide","2020-11-04"],["VGT","4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide","C15 H17 N O3 S2 Se","N[S](=O)(=O)c1ccc(SC[CH](O)C[Se]c2ccccc2)cc1;c1ccc(cc1)[Se]CC(CSc2ccc(cc2)S(=O)(=O)N)O","InChI=1S/C15H17NO3S2Se/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)/t12-/m1/s1","","2021-05-18","2022-05-27","4-[(2~{R})-2-oxidanyl-3-phenylselanyl-propyl]sulfanylbenzenesulfonamide","2022-06-01"],["CIV","2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide","C17 H23 N4 O4","NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O;NCCCC[CH](N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2;c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)O)C(CCCCN)N)O","InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1","CHROMOPHORE (LYS-TYR-GLY)","2021-11-22","2024-09-27","3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium","2022-04-20"],["CIW","5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid","C17 H12 Cl N O5","Clc1cc2c(cc1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O;OC(=O)c1c(CN2C(=O)Cc3cc(Cl)ccc23)ccc4OCOc14;c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C17H12ClNO5/c18-11-2-3-12-10(5-11)6-14(20)19(12)7-9-1-4-13-16(24-8-23-13)15(9)17(21)22/h1-5H,6-8H2,(H,21,22)","","2010-06-25","2011-06-04","5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid",""],["VGU","N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide","C9 H8 N2 O3","O=C(/N=C/C(=O)NO)c1ccccc1;ONC(=O)C=NC(=O)c1ccccc1;c1ccc(cc1)C(=O)N=CC(=O)NO","InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+","","2022-08-29","2022-10-28","N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide","2022-11-02"],["VGV","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide","C9 H14 N4 O3 S2","C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2;N[S](=O)(=O)c1sc(NC(=O)C2CCCCC2)nn1;C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)","","2020-08-10","2020-10-30","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide","2020-11-04"],["CIX","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide","C25 H42 B N3 O6","O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)B(O)O;B(C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)(O)O","InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1","MG262","2012-08-02","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide","2013-06-26"],["CIY","(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal","C10 H10 O3","O=CC=Cc1cc(OC)c(O)cc1;COc1cc(C=CC=O)ccc1O;COc1cc(ccc1O)C=CC=O","InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+","Coniferaldehyde","2010-10-25","2020-06-17","(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal",""],["VGW","2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile","C26 H24 Cl N7 O","CN1C(=O)C=C(NC(C)(C)c2ncc(cn2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14;CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C","InChI=1S/C26H24ClN7O/c1-26(2,25-30-13-16(14-31-25)15-4-5-15)33-21-11-23(35)34(3)22-7-6-17(10-18(21)22)32-20-8-9-29-24(27)19(20)12-28/h6-11,13-15,33H,4-5H2,1-3H3,(H,29,32)","","2021-05-18","2021-12-03","2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile","2021-12-08"],["VGX","4-hydroxy-2-oxobutanoic acid","C4 H6 O4","C(CC(=O)C(O)=O)O;OCCC(=O)C(O)=O;C(CO)C(=O)C(=O)O","InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)","","2016-08-03","2024-09-27","4-hydroxy-2-oxobutanoic acid","2016-09-14"],["CIZ","(~{Z})-2-methylbut-2-enedioic acid","C5 H6 O4","O=C(O)C(C)=[C@H]C(O)=O;CC(=CC(O)=O)C(O)=O;CC(=CC(=O)O)C(=O)O","InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-","CITRACONATE","2016-07-18","2021-03-01","(2Z)-2-methylbut-2-enedioic acid","2016-07-27"],["CJ0","N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine","C9 H15 N5 O","CNc1cc(nc(N)n1)N2CCOCC2;CNc1cc(nc(n1)N)N2CCOCC2","InChI=1S/C9H15N5O/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13)","","2019-04-24","2020-10-23","~{N}4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine","2020-10-28"],["VGY","2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol","C24 H22 Cl F N4 O","n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3;C[CH](Nc1c(Cl)cnc2ccc(cc12)c3cnc(nc3)C(C)(C)O)c4ccccc4F;CC(c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O","InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1","","2020-08-12","2020-12-04","2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol","2020-12-09"],["VGZ","4-acetamido-~{N}-(2-methoxyphenyl)benzamide","C16 H16 N2 O3","COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2;CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2OC","InChI=1S/C16H16N2O3/c1-11(19)17-13-9-7-12(8-10-13)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)","","2021-05-18","2022-05-27","4-acetamido-~{N}-(2-methoxyphenyl)benzamide","2022-06-01"],["CJ1","7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol","C11 H14 N3 O8 P","c3(nc2n(C1CC(C(COP(O)(=O)O)O1)O)ccc2c(n3)O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc3c(O)nc(O)nc23;c1cn(c2c1c(nc(n2)O)O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C11H14N3O8P/c15-6-3-8(22-7(6)4-21-23(18,19)20)14-2-1-5-9(14)12-11(17)13-10(5)16/h1-2,6-8,15H,3-4H2,(H2,18,19,20)(H2,12,13,16,17)/t6-,7+,8+/m0/s1","","2017-09-22","2018-09-14","7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol","2018-09-19"],["CJ2","3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide","C18 H15 F3 N4 O3","COc1ccc(Cn2nnc(O)c2C(=O)Nc3cccc(c3)C(F)(F)F)cc1;COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C18H15F3N4O3/c1-28-14-7-5-11(6-8-14)10-25-15(17(27)23-24-25)16(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9,27H,10H2,1H3,(H,22,26)","","2017-11-27","2018-03-29","3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide","2018-04-04"],["VH0","(2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid","C8 H13 N5 O2","O=C(O)C2NCC(n1nnc(c1)CN)C2;NCc1cn(nn1)[CH]2CN[CH](C2)C(O)=O;c1c(nnn1C2CC(NC2)C(=O)O)CN","InChI=1S/C8H13N5O2/c9-2-5-4-13(12-11-5)6-1-7(8(14)15)10-3-6/h4,6-7,10H,1-3,9H2,(H,14,15)/t6-,7-/m0/s1","","2013-04-23","2019-10-07","(4S)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-L-proline","2013-05-01"],["VH1","2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE","C19 H13 N2 O5 S","Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)[S](O)(=O)=O)cc1;c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O","InChI=1S/C19H14N2O5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1","","2010-11-25","2011-08-12","",""],["CJ3","1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide","C8 H8 B N3 O S","B2(O)c1ccccc1C=NN2C(=S)N;NC(=S)N1N=Cc2ccccc2B1O;B1(c2ccccc2C=NN1C(=S)N)O","InChI=1S/C8H8BN3OS/c10-8(14)12-9(13)7-4-2-1-3-6(7)5-11-12/h1-5,13H,(H2,10,14)","","2015-07-09","2015-12-04","1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide","2015-12-09"],["VH2","N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE","C20 H15 Br N2 O3 S2","Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4;c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O","InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23)","PITSTOP 2","2010-11-25","2021-03-01","N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide",""],["CJ4","1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-N-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide","C21 H27 F N8 O","CNCCCN(C)c1nc(c(cn1)F)N4CC(C(=O)NCc2cnc3ccccn23)C4;CNCCCN(C)c1ncc(F)c(n1)N2CC(C2)C(=O)NCc3cnc4ccccn34;CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F","InChI=1S/C21H27FN8O/c1-23-7-5-8-28(2)21-26-12-17(22)19(27-21)29-13-15(14-29)20(31)25-11-16-10-24-18-6-3-4-9-30(16)18/h3-4,6,9-10,12,15,23H,5,7-8,11,13-14H2,1-2H3,(H,25,31)","","2017-09-22","2018-09-21","1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-N-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide","2018-09-26"],["VH3","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C28 H36 F2 N4 O5 S","COc1cc(c(F)cc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](NC(=O)C3(F)CC3)C(C)(C)C)c4scnc4C;Cc1c(scn1)c2cc(c(cc2F)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O)OC","InChI=1S/C28H36F2N4O5S/c1-14(17-10-19(29)18(11-21(17)39-6)22-15(2)31-13-40-22)32-24(36)20-9-16(35)12-34(20)25(37)23(27(3,4)5)33-26(38)28(30)7-8-28/h10-11,13-14,16,20,23,35H,7-9,12H2,1-6H3,(H,32,36)(H,33,38)/t14-,16+,20-,23+/m0/s1","","2023-03-06","2023-09-22","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-09-27"],["CJ5","1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea","C26 H25 F3 N8 O","FC(F)(F)c1cccc(NC(=O)Nc2ccc(Nc3nccc(Nc4cc([nH]n4)C5CCCC5)n3)cc2)c1;c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F","InChI=1S/C26H25F3N8O/c27-26(28,29)17-6-3-7-20(14-17)33-25(38)32-19-10-8-18(9-11-19)31-24-30-13-12-22(35-24)34-23-15-21(36-37-23)16-4-1-2-5-16/h3,6-16H,1-2,4-5H2,(H2,32,33,38)(H3,30,31,34,35,36,37)","","2013-03-04","2014-09-05","1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea","2014-09-10"],["CJ6","N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine","C12 H20 N6","CN1CCN(CC1)c2cc(NC3CC3)nc(N)n2;CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3","InChI=1S/C12H20N6/c1-17-4-6-18(7-5-17)11-8-10(14-9-2-3-9)15-12(13)16-11/h8-9H,2-7H2,1H3,(H3,13,14,15,16)","","2019-04-24","2020-10-23","~{N}4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine","2020-10-28"],["VH4","1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","C22 H29 F N4 O2","C1C(CCC(C(C)(O)C)C1)NC(=O)N2CCc3c(C2)cnn3c4cccc(c4)F;CC(C)(O)[CH]1CC[CH](CC1)NC(=O)N2CCc3n(ncc3C2)c4cccc(F)c4;CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O","InChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)/t16-,18-","","2020-08-12","2021-05-21","1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","2021-05-26"],["VH5","2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile","C20 H19 Cl N6 O","CN1CCN(CC1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23;CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl","InChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28)","","2021-05-18","2021-12-03","2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile","2021-12-08"],["CJ7","8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole","C17 H20 F N5 S","c1c2c(ccc1F)n(C)c3nc(nnc23)SCCN4CCCCC4;Cn1c2ccc(F)cc2c3nnc(SCCN4CCCCC4)nc13;Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F","InChI=1S/C17H20FN5S/c1-22-14-6-5-12(18)11-13(14)15-16(22)19-17(21-20-15)24-10-9-23-7-3-2-4-8-23/h5-6,11H,2-4,7-10H2,1H3","","2017-09-25","2018-03-29","8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole","2018-04-04"],["VH6","Plerixafor","C28 H54 N8","C1NCCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNC1;C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2;c1cc(ccc1CN2CCCNCCNCCCNCC2)CN3CCCNCCNCCCNCC3","InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2","1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane); AMD3100","2023-09-12","2024-03-08","1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)","2024-03-13"],["CJ8","(2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide","C10 H20 N2 O4","CCCNC(=O)[CH](O)[CH](O)C(=O)NCCC;CCCNC(=O)C(C(C(=O)NCCC)O)O","InChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)/t7-,8-/m1/s1","","2017-11-28","2018-09-14","(2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide","2018-09-19"],["VH7","N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide","C23 H27 N3 O2","C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4;CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4;CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O","InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19-","","2020-08-12","2021-05-21","N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide","2021-05-26"],["CJ9","N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","C12 H19 N5","Nc1nc(NC2CC2)cc(n1)N3CCCCC3;c1c(nc(nc1N2CCCCC2)N)NC3CC3","InChI=1S/C12H19N5/c13-12-15-10(14-9-4-5-9)8-11(16-12)17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16)","","2019-04-24","2020-10-23","~{N}4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","2020-10-28"],["VH8","2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide","C18 H15 Cl N6 O2","CNC(=O)CNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12;CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl","InChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26)","2-[[6-[(2-chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide; 135386617","2021-05-18","2021-12-03","2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-ethanamide","2021-12-08"],["CJA","3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one","C17 H20 N2 O S3","c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3;CSc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12;CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2","InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3","","2017-09-26","2020-08-14","3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one","2020-08-19"],["VH9","(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol","C11 H16 F N O","OC(CNC(C)C)c1ccc(F)cc1;CC(C)NC[CH](O)c1ccc(F)cc1;CC(C)NCC(c1ccc(cc1)F)O","InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1","","2022-08-29","2022-10-28","(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol","2022-11-02"],["CJB","1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione","C10 H14 N2 O7","O=C1NC(=O)N(C=C1)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m1/s1","1-D-glucopyranosyl-uracil; 1-beta-D-glucosylpyrimidine-2,4(1H,3H)-dione; 1-D-glucosylpyrimidine-2,4(1H,3H)-dione;\n1-glucosylpyrimidine-2,4(1H,3H)-dione","2007-11-16","2020-07-17","1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione",""],["VHA","22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine","C21 H21 N3 O2 S","n1c2c4c(ccc(OCCCCOc3cccc(Sc(nc1N)c2)c3)c4)C;Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)n4)c1c2)c3;Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2","InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24)","","2011-09-07","2012-07-13","22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine",""],["CJC","7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one","C19 H19 Cl N8 O S","O=C4Nc5cc(Sc1nc3c(c(n1)N2CCC(N)C2)c(Cl)c(n3)CC)cnc5N=C4;CCc1[nH]c2nc(Sc3cnc4N=CC(=O)Nc4c3)nc(N5CC[CH](N)C5)c2c1Cl;CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl","InChI=1S/C19H19ClN8OS/c1-2-11-15(20)14-17(25-11)26-19(27-18(14)28-4-3-9(21)8-28)30-10-5-12-16(22-6-10)23-7-13(29)24-12/h5-7,9H,2-4,8,21H2,1H3,(H,24,29)(H,25,26,27)/t9-/m1/s1","","2012-08-21","2013-02-08","7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one","2013-02-08"],["VHB","2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile","C19 H13 Cl N6 O","Cn1cc(cn1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23;Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl","InChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27)","","2021-05-18","2021-12-03","2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile","2021-12-08"],["CJD","5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one","C22 H24 Cl2 N2 O5","c12c(cc(c(c1C(=O)N(CC2)CC3=C(C=C(C)NC3=O)OC)Cl)C(C4COC4)OC)Cl;CO[CH](C1COC1)c2cc(Cl)c3CCN(CC4=C(OC)C=C(C)NC4=O)C(=O)c3c2Cl;CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)C(C4COC4)OC)Cl)OC","InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1","","2017-09-26","2017-12-22","5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one","2017-12-27"],["CJE","ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate","C7 H12 O3","CCOC(=O)[CH](C)C(C)=O;CCOC(=O)C(C)C(=O)C","InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3/t5-/m1/s1","","2017-11-28","2018-09-14","ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate","2018-09-19"],["VHC","4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one","C22 H22 N4 O2 S","O=C2NCCCOc4cccc(Sc3nc(nc(c1c(cc(c2c1)C)C)c3)N)c4;Cc1cc(C)c2cc1C(=O)NCCCOc3cccc(Sc4cc2nc(N)n4)c3;Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C","InChI=1S/C22H22N4O2S/c1-13-9-14(2)18-11-17(13)19-12-20(26-22(23)25-19)29-16-6-3-5-15(10-16)28-8-4-7-24-21(18)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26)","","2011-09-07","2012-07-13","4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one",""],["VHD","4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL","C18 H19 N O3","O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccccc2C3;CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccccc3C2;CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2","InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3","","2010-03-30","2011-06-04","4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol",""],["CJF","N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine","C11 H17 N5 O","Nc1nc(NC2CC2)cc(n1)N3CCOCC3;c1c(nc(nc1N2CCOCC2)N)NC3CC3","InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)","","2019-04-24","2020-10-23","~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine","2020-10-28"],["VHE","4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione","C19 H23 N5 O2 S","O=C3NCCCNC(=O)CCSc1nc(nc(c1)c2cc3c(cc2C)C)N;Cc1cc(C)c2cc1C(=O)NCCCNC(=O)CCSc3cc2nc(N)n3;Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C","InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-4-16(25)21-5-3-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24)","","2011-09-07","2012-07-13","4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1~2,6~]docosa-1(21),2(22),3,5,17,19-hexaene-10,16-dione",""],["CJG","5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one","C22 H21 Cl2 N3 O3","c1(cc(c(c2c1CCN(C2=O)CC3=C(C=C(C)NC3=O)C)Cl)c4c(noc4C)C)Cl;CC1=CC(=C(CN2CCc3c(Cl)cc(c(Cl)c3C2=O)c4c(C)onc4C)C(=O)N1)C;Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl","InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)","","2017-09-26","2017-12-22","5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one","2017-12-27"],["VHF","(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid","C5 H10 N O7 P","N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O;C(CC(=O)OP(=O)(O)O)C(C(=O)O)N","InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1","","2023-03-06","2024-09-27","(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid","2023-03-15"],["CJH","(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide","C19 H18 N2 O3","N#CC(=C(O)C)C(=O)Nc2ccc(c1cc(OCC)ccc1)cc2;CCOc1cccc(c1)c2ccc(NC(=O)C(C#N)=C(C)O)cc2;CCOc1cccc(c1)c2ccc(cc2)NC(=O)C(=C(C)O)C#N","InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,22H,3H2,1-2H3,(H,21,23)/b18-13-","","2008-12-16","2011-06-04","(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide",""],["CJI","cis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)","C5 H10 N2 O6 Rh2","CC(=O)O[Rh](O)O.O[Rh](O)n1ccnc1;CC1=O[Rh]([Rh](O1)(O)O)(n2ccnc2)(O)O","InChI=1S/C3H3N2.C2H4O2.4H2O.2Rh/c1-2-5-3-4-1;1-2(3)4;;;;;;/h1-3H;1H3,(H,3,4);4*1H2;;/q-1;;;;;;2*+3/p-5","","2021-12-14","2022-08-22","1-[5-methyl-2,2,3,3-tetrakis(oxidanyl)-1$l^{3},4-dioxa-2$l^{5},3$l^{4}-dirhodacyclopent-5-en-2-yl]imidazole","2022-06-08"],["VHG","3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H40 N4 O6","CCC1=C(Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[CH]1C;CCC1=C(NC(=O)C1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19,34-35H,2,7,9-15H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/t19-/m0/s1","","2020-08-12","2024-09-27","3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2021-10-06"],["VHH","5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid","C12 H20 N2 O3 S","O=C(O)CCCCC1SCC2N(C(=O)N(C12)C)C;CN1[CH]2CS[CH](CCCCC(O)=O)[CH]2N(C)C1=O;CN1C2CSC(C2N(C1=O)C)CCCCC(=O)O","InChI=1S/C12H20N2O3S/c1-13-8-7-18-9(5-3-4-6-10(15)16)11(8)14(2)12(13)17/h8-9,11H,3-7H2,1-2H3,(H,15,16)/t8-,9-,11-/m0/s1","","2011-09-09","2011-12-23","5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["CJJ","5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide","C14 H13 Cl N6 O2 S2","c4(c3ncc(c(Nc1cc(nn1)C2CC2)n3)Cl)ccc(s4)S(=O)(=O)N;N[S](=O)(=O)c1sc(cc1)c2ncc(Cl)c(Nc3cc([nH]n3)C4CC4)n2;c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N","InChI=1S/C14H13ClN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21)","","2017-09-26","2018-02-09","5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide","2018-02-14"],["VHI","5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid","C18 H22 N2 O5 S","O=C(O)CCCCC2SCC3N(C(=O)OCc1ccccc1)C(=O)NC23;OC(=O)CCCC[CH]1SC[CH]2[CH]1NC(=O)N2C(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)N2C3CSC(C3NC2=O)CCCCC(=O)O","InChI=1S/C18H22N2O5S/c21-15(22)9-5-4-8-14-16-13(11-26-14)20(17(23)19-16)18(24)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,19,23)(H,21,22)/t13-,14-,16-/m0/s1","","2011-09-09","2011-12-23","5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid",""],["CJK","1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea","C15 H17 N3 O4 S","Cc1ccc(CNC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)cc1;Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N","InChI=1S/C15H17N3O4S/c1-10-2-4-11(5-3-10)9-17-15(20)18-13-8-12(23(16,21)22)6-7-14(13)19/h2-8,19H,9H2,1H3,(H2,16,21,22)(H2,17,18,20)","","2017-11-28","2018-10-05","1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea","2018-10-10"],["VHJ","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide","C29 H38 N4 O6","c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)C)=O;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)C(C(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3","InChI=1S/C29H38N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1","","2020-08-12","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide","2020-12-23"],["CJL","N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine","C14 H22 N6 O","Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4;c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4","InChI=1S/C14H22N6O/c15-14-17-12(16-10-1-2-10)7-13(18-14)20-5-3-19(4-6-20)11-8-21-9-11/h7,10-11H,1-6,8-9H2,(H3,15,16,17,18)","","2019-04-24","2020-10-23","~{N}4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine","2020-10-28"],["CJM","2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol","C22 H26 F2 N8 O","CCn3c2nc(N1CCCCC1CCO)nc(c2nc3)NCc5nc4c(c(ccc4n5)F)F;CCn1cnc2c(NCc3[nH]c4ccc(F)c(F)c4n3)nc(nc12)N5CCCC[CH]5CCO;CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCCC5CCO","InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/m0/s1","","2017-09-26","2017-12-22","2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol","2017-12-27"],["VHK","2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile","C17 H14 Cl N5 O","CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12;CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl","InChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24)","","2021-05-18","2021-12-03","2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile","2021-12-08"],["VHL","Tricarbonyl di(imidazole) rhenium(I)","C9 H6 N4 O3 Re","[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2;c1cn(cn1)[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])n2ccnc2","InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h2*1-3H;;;;/q2*-1;;;;+3","di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)","2023-09-12","2024-04-26","di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)","2024-05-01"],["CJN","~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine","C17 H27 N5","CC(C)n1ccc2ncnc(N[CH]3CC[CH](CC3)N(C)C)c12;CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C","InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14-","","2017-11-28","2018-05-18","~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine","2018-05-23"],["VHM","N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","C29 H44 N4 O6","c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)CC3CCCCC3)=O;CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3","InChI=1S/C29H44N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,19-20,22-25,34H,3,5-6,9-10,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1","","2020-08-12","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide","2020-12-23"],["CJO","[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid","C15 H21 N3 O5","O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)C(O)C;C[CH](O)[CH](N)[CH]1N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C(C1NC(C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O","InChI=1S/C15H21N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13-14,17,19-20H,6-7,16H2,1H3,(H,21,22)/t8-,11-,13+,14?/m1/s1","","2008-12-19","2024-09-27","[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid",""],["VHN","(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide","C19 H17 Cl N6 O2","CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12;CC(C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl","InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m0/s1","(2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide","2021-05-18","2021-12-03","(2~{S})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide","2021-12-08"],["CJP","1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine","C16 H14 Cl2 N2 O2 S","Clc3ccc(c2c(c1ccccc1n2S(=O)(=O)C)CN)c(Cl)c3;C[S](=O)(=O)n1c2ccccc2c(CN)c1c3ccc(Cl)cc3Cl;CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN","InChI=1S/C16H14Cl2N2O2S/c1-23(21,22)20-15-5-3-2-4-11(15)13(9-19)16(20)12-7-6-10(17)8-14(12)18/h2-8H,9,19H2,1H3","","2014-04-03","2015-03-13","1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine","2015-03-18"],["VHO","N-cyclopropyl-2-(3-fluorophenoxy)acetamide","C11 H12 F N O2","O=C(COc1cccc(F)c1)NC1CC1;Fc1cccc(OCC(=O)NC2CC2)c1;c1cc(cc(c1)F)OCC(=O)NC2CC2","InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14)","","2022-08-29","2022-10-28","N-cyclopropyl-2-(3-fluorophenoxy)acetamide","2022-11-02"],["CJQ","2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide","C21 H28 N4 O3 S","NC(=O)C[CH]1CCc2sc3ncnc(O[CH]4CC[CH](CC4)N5CCOCC5)c3c12;c1nc(c2c3c(sc2n1)CCC3CC(=O)N)OC4CCC(CC4)N5CCOCC5","InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1","","2017-11-28","2018-05-18","2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide","2018-05-23"],["VHP","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C29 H46 N4 O7","c1ccc(cc1)COC(NC(C(=O)NC(C(=O)NC(CC2C(NCC2)=O)CO)CC(C)C)C(C)OC(C)(C)C)=O;CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)[CH](C)OC(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc2ccccc2","InChI=1S/C29H46N4O7/c1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/h7-11,18-19,21-24,34H,12-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,21+,22+,23+,24+/m1/s1","","2020-08-13","2024-09-27","N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-12-23"],["CJR","N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine","C12 H20 N6 O","CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3;CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3","InChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)","","2019-04-24","2020-10-23","~{N}4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine","2020-10-28"],["CJT","4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide","C21 H32 N6 O","CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc([CH]4CC[CH](CC4)C(N)=O)c23;CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N","InChI=1S/C21H32N6O/c1-27(2)16-9-7-15(8-10-16)26-21-18-17(11-23-20(18)24-12-25-21)13-3-5-14(6-4-13)19(22)28/h11-16H,3-10H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t13-,14-,15-,16-","","2017-11-28","2018-05-18","4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide","2018-05-23"],["VHQ","2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile","C16 H11 Cl N4 O","CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12;CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl","InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20)","","2021-05-18","2021-12-03","2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile","2021-12-08"],["VHR","Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, cyanide cluster (-CN form)","C8 H5 Fe2 N4 O3 S2","O=C1[Fe+]SCNCS[Fe+]1.[C-]#N.[C-]#N.[C-]#N.[C-]#[O+].[C-]#[O+];C1NC[S]2[Fe+]3([S]1[Fe+]2(C3=O)([C-]#N)([C-]#N)[C-]#[O+])([C-]#N)[C-]#[O+]","InChI=1S/C2H5NS2.3CN.3CO.2Fe/c4-1-3-2-5;6*1-2;;/h3H,1-2H2;;;;;;;;/q;3*-1;;;;2*+1","","2023-03-06","2023-03-10","","2023-03-15"],["CJU","N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","C10 H17 N5","CNc1cc(nc(N)n1)N2CCCCC2;CNc1cc(nc(n1)N)N2CCCCC2","InChI=1S/C10H17N5/c1-12-8-7-9(14-10(11)13-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H3,11,12,13,14)","","2019-04-24","2020-10-23","~{N}4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine","2020-10-28"],["CJV","methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate","C39 H53 F N6 O5 S","O=C(NC1CCCC1C(C2CCN(CC2)CC3CN(C3)c4ccc(cc4)S(=O)(C5CN(C5)C(CCCN(C)C)=O)=O)(C#N)c6cc(F)ccc6)OC;COC(=O)N[CH]1CCC[CH]1[C](C#N)(C2CCN(CC2)CC3CN(C3)c4ccc(cc4)[S](=O)(=O)C5CN(C5)C(=O)CCCN(C)C)c6cccc(F)c6;CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)C(C#N)(c5cccc(c5)F)C6CCCC6NC(=O)OC","InChI=1S/C39H53FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,7-8,12-15,21,28-29,34-36H,5-6,9-11,16-20,22-26H2,1-3H3,(H,42,48)/t35-,36-,39-/m0/s1","","2017-09-26","2024-09-27","methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate","2018-01-24"],["VHS","3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE","C21 H22 Cl2 F N5 O","Clc1ccc(F)c(Cl)c1C(Oc4cc(c2cn(nc2)C3CCNCC3)cnc4N)C;C[CH](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl;CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4","InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1","S-CRIZOTINIB","2013-10-03","2020-06-17","3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine","2014-04-02"],["VHT","methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate","C19 H16 F2 N4 O5","COC(=O)CNC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncccc13;COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F","InChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)","","2016-12-09","2017-07-28","methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate","2017-08-02"],["CJW","6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid","C19 H19 N3 O7","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4cc(ccc4c3)C(O)=O;c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C19H19N3O7/c23-7-12-13(24)14(25)15(26)16(29-12)18-20-17(21-22-18)10-3-1-9-6-11(19(27)28)4-2-8(9)5-10/h1-6,12-16,23-26H,7H2,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,16-/m1/s1","","2017-11-28","2018-02-23","6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid","2018-02-28"],["VHU","(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one","C29 H28 N4 O5","CC(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)c1cc2cccc(c2o1)c1cccc2C(=O)N=Cc21;CC(=O)N1CCC[CH](C1)C(=O)N2CCN(CC2)C(=O)c3oc4c(cccc4c5cccc6C(=O)N=Cc56)c3;CC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C(=O)c3cc4cccc(c4o3)c5cccc6c5C=NC6=O","InChI=1S/C29H28N4O5/c1-18(34)33-10-4-6-20(17-33)28(36)31-11-13-32(14-12-31)29(37)25-15-19-5-2-8-22(26(19)38-25)21-7-3-9-23-24(21)16-30-27(23)35/h2-3,5,7-9,15-16,20H,4,6,10-14,17H2,1H3/t20-/m0/s1","","2023-09-12","2024-03-22","(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one","2024-03-27"],["CJX","(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol","C18 H35 N3 O12","NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)O)O)OC3C(C(C(C(O3)CN)O)O)O)N","InChI=1S/C18H35N3O12/c19-2-6-8(23)10(25)12(27)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)11(26)9(24)7(3-22)31-18/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10-,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1","3\"-deamino-3\"-hydroxykanamycin A","2019-04-25","2021-03-01","(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{S},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol","2020-04-15"],["VHV","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C26 H40 N4 O6","c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O;CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)C)NC(=O)OCc2ccccc2","InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1","","2020-08-13","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2020-12-23"],["CJY","3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid","C22 H19 N O3","c1cc4c(cc1)c(CCCOc3c2ccccc2ccc3)c(C(=O)O)n4;OC(=O)c1[nH]c2ccccc2c1CCCOc3cccc4ccccc34;c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O","InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25)","","2017-09-27","2017-09-29","3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid","2017-10-04"],["CJZ","2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid","C13 H9 Cl2 N O3","Clc1cc(cc(Cl)c1O)Nc2ccccc2C(=O)O;OC(=O)c1ccccc1Nc2cc(Cl)c(O)c(Cl)c2;c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl","InChI=1S/C13H9Cl2NO3/c14-9-5-7(6-10(15)12(9)17)16-11-4-2-1-3-8(11)13(18)19/h1-6,16-17H,(H,18,19)","","2010-03-17","2011-06-04","2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid",""],["VHW","methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)","C34 H50 O7","O=C(OC)C4(C(=O)C(=CC(C)C2CCC3C(=CC=C1/C(=C)C(O)C(OCCCO)C(O)C1)CCCC23C)CC4)CC;CC[C]1(CCC(=C[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)[CH](OCCCO)[CH](O)C4=C)C1=O)C(=O)OC;CCC1(CCC(=CC(C)C2CCC3C2(CCCC3=CC=C4CC(C(C(C4=C)O)OCCCO)O)C)C1=O)C(=O)OC","InChI=1S/C34H50O7/c1-6-34(32(39)40-5)16-14-25(31(34)38)19-21(2)26-12-13-27-23(9-7-15-33(26,27)4)10-11-24-20-28(36)30(29(37)22(24)3)41-18-8-17-35/h10-11,19,21,26-30,35-37H,3,6-9,12-18,20H2,1-2,4-5H3/b23-10+,24-11-,25-19+/t21-,26-,27+,28-,29-,30+,33-,34+/m1/s1","","2011-09-20","2013-03-01","methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)","2013-03-06"],["VHY","(2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate","C11 H21 O8 P","CCCC(OCC(OC(=O)CCC)COP(=O)(O)O)=O;CCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCC","InChI=1S/C11H21O8P/c1-3-5-10(12)17-7-9(8-18-20(14,15)16)19-11(13)6-4-2/h9H,3-8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1","","2020-08-13","2021-04-23","(2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate","2021-04-28"],["CK0","(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","C18 H36 N4 O11","NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)O)O)OC3C(C(C(C(O3)CN)O)O)N)N","InChI=1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1","3\"-deamino-3\"-hydroxykanamycin B","2019-04-25","2021-03-01","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","2020-04-15"],["VHZ","(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide","C19 H17 Cl N6 O2","CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12;CC(C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl","InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m1/s1","(2R)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide; 142478375","2021-05-18","2021-12-03","(2~{R})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide","2021-12-08"],["CK1","4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE","C8 H5 Cl2 N3 S","Clc2sc(Cl)cc2c1nc(ncc1)N;Nc1nccc(n1)c2cc(Cl)sc2Cl;c1cnc(nc1c2cc(sc2Cl)Cl)N","InChI=1S/C8H5Cl2N3S/c9-6-3-4(7(10)14-6)5-1-2-12-8(11)13-5/h1-3H,(H2,11,12,13)","4-(2,5-DICHLORO-THIOPHEN-3-YL)-PYRIMIDIN-2-YLAMINE","2003-07-07","2021-03-13","4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-amine",""],["VI","1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBOXYLIC ACID","C17 H12 N2 O4","O=C(O)c2c(nn(c1ccccc1)c2C(=O)O)c3ccccc3;OC(=O)c1n(nc(c2ccccc2)c1C(O)=O)c3ccccc3;c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O","InChI=1S/C17H12N2O4/c20-16(21)13-14(11-7-3-1-4-8-11)18-19(15(13)17(22)23)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23)","","2006-03-29","2011-06-04","1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid",""],["CK2","4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE","C9 H10 N4 S","n2c(c1sc(nc1C)C)ccnc2N;Cc1sc(c(C)n1)c2ccnc(N)n2;Cc1c(sc(n1)C)c2ccnc(n2)N","InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)","4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINE","2003-07-07","2021-03-13","4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine",""],["CK3","N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE","C10 H11 N5 O S","n2c(c1sc(nc1C)C)ccnc2N/C=NO;Cc1sc(c(C)n1)c2ccnc(NC=NO)n2;Cc1c(sc(n1)C)c2ccnc(n2)NC=NO","InChI=1S/C10H11N5OS/c1-6-9(17-7(2)14-6)8-3-4-11-10(15-8)12-5-13-16/h3-5,16H,1-2H3,(H,11,12,13,15)","","2003-07-07","2011-06-04","N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyimidoformamide",""],["VI0","10-phenyl-5H-pyrimido[4,5-c][2]benzazepin-2-amine","C18 H14 N4","Nc1nc2N=C(c3ccccc3Cc2cn1)c1ccccc1;Nc1ncc2Cc3ccccc3C(=Nc2n1)c4ccccc4;c1ccc(cc1)C2=Nc3c(cnc(n3)N)Cc4c2cccc4","InChI=1S/C18H14N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,19,20,22)","","2023-05-09","2025-07-25","10-phenyl-5H-pyrimido[4,5-c][2]benzazepin-2-amine","2023-06-14"],["VI1","(1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","C20 H27 N O5 S","O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC;COC(=O)c1c2CCCCCCc2sc1NC(=O)[CH]3CCCC[CH]3C(O)=O;COC(=O)c1c2c(sc1NC(=O)C3CCCCC3C(=O)O)CCCCCC2","InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1","","2023-09-12","2024-04-19","(1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","2024-04-24"],["CK4","4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE","C16 H13 F3 N4 S","FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3;Cc1sc(c(C)n1)c2ccnc(Nc3ccc(cc3)C(F)(F)F)n2;Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)","4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE","2003-07-07","2020-06-17","4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine",""],["VI2","N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea","C10 H14 N2 O S","S=C(Nc1cc(C)ccc1)NCCO;Cc1cccc(NC(=S)NCCO)c1;Cc1cccc(c1)NC(=S)NCCO","InChI=1S/C10H14N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14)","","2022-08-29","2022-10-28","N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea","2022-11-02"],["CK5","3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL","C15 H14 N4 O S","n2c(c1sc(nc1C)C)ccnc2Nc3cccc(O)c3;Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2;Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O","InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)","","2003-07-10","2011-06-04","3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}phenol",""],["VI3","(2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid","C3 H6 N O4 S","N[CH](C[S-](=O)=O)C(O)=O;C(C(C(=O)O)N)[S-](=O)=O","InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1","","2023-03-07","2024-09-27","(2~{R})-2-azanyl-3-sulfinato-propanoic acid","2023-03-15"],["CK6","4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL","C15 H15 N5 O S","n1c(c(sc1NC)c2nc(ncc2)Nc3ccc(O)cc3)C;CNc1sc(c(C)n1)c2ccnc(Nc3ccc(O)cc3)n2;Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O","InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)","","2003-07-11","2011-06-04","4-({4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)phenol",""],["VI4","13-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one","C26 H24 N4 O3","C[CH]1O[CH](C[CH](N)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47;CC1C(C(CC(O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)N)O","InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1","","2023-07-22","2024-10-11","","2024-10-16"],["CK7","[4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE","C14 H12 N6 O2 S","[O-][N+](=O)c1cccc(c1)Nc3nc(c2sc(nc2C)N)ccn3;Cc1nc(N)sc1c2ccnc(Nc3cccc(c3)[N+]([O-])=O)n2;Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]","InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)","","2003-07-11","2011-06-04","4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine",""],["VI5","N-(3-fluorophenyl)-N~2~-methylglycinamide","C9 H11 F N2 O","O=C(Nc1cccc(F)c1)CNC;CNCC(=O)Nc1cccc(F)c1;CNCC(=O)Nc1cccc(c1)F","InChI=1S/C9H11FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3,(H,12,13)","","2022-08-29","2022-10-28","N-(3-fluorophenyl)-N~2~-methylglycinamide","2022-11-02"],["CK8","N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE","C17 H19 N5 S","n2c(c1sc(nc1C)C)ccnc2Nc3ccc(N(C)C)cc3;CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1;Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C","InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)","","2003-07-11","2011-06-04","N'-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine",""],["VI6","1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole","C16 H14 B F N3 O4","O[B]1(O)OCc2ccc(cc12)n3cc(COc4ccc(F)cc4)nn3;B1(c2cc(ccc2CO1)n3cc(nn3)COc4ccc(cc4)F)(O)O","InChI=1S/C16H14BFN3O4/c18-12-2-5-15(6-3-12)24-10-13-8-21(20-19-13)14-4-1-11-9-25-17(22,23)16(11)7-14/h1-8,22-23H,9-10H2","","2023-03-08","2023-06-16","1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole","2023-06-21"],["CK9","2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL","C19 H26 N6 O2","n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc3ccccc3O;CC[CH](CO)Nc1nc(NCc2ccccc2O)c3ncn(C(C)C)c3n1;CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O","InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1","OLOMOUCINE II","2005-09-08","2021-03-01","2-({[2-{[(1R)-1-(hydroxymethyl)propyl]amino}-9-(1-methylethyl)-9H-purin-6-yl]amino}methyl)phenol",""],["VI7","5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine","C15 H12 Cl N3 O","Nc1cc([NH]n1)c1ccc(Oc2ccc(Cl)cc2)cc1;Nc1cc([nH]n1)c2ccc(Oc3ccc(Cl)cc3)cc2;c1cc(ccc1c2cc(n[nH]2)N)Oc3ccc(cc3)Cl","InChI=1S/C15H12ClN3O/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-15(17)19-18-14/h1-9H,(H3,17,18,19)","","2023-09-12","2024-08-23","5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine","2024-08-28"],["CKA","7-Chlorokynurenic acid","C10 H6 Cl N O3","c1cc(cc2c1C(C=C(C(O)=O)N2)=O)Cl;OC(=O)C1=CC(=O)c2ccc(Cl)cc2N1;c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O","InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)","7-CKA","2015-07-02","2021-03-01","7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid","2015-12-29"],["CKB","1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione","C11 H16 N2 O7","O=C1NC(=O)N(C=C1C)C2OC(C(O)C(O)C2O)CO;CC1=CN([CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C11H16N2O7/c1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)6(15)5(3-14)20-10/h2,5-8,10,14-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,8-,10-/m1/s1","1-D-glucopyranosyl-thymine; 1-beta-D-glucosyl-5-methylpyrimidine-2,4(1H,3H)-dione;\n1-D-glucosyl-5-methylpyrimidine-2,4(1H,3H)-dione; 1-glucosyl-5-methylpyrimidine-2,4(1H,3H)-dione","2007-11-16","2020-07-17","1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione",""],["VI8","3-{[(pyridin-3-yl)methyl]amino}benzoic acid","C13 H12 N2 O2","O=C(O)c1cc(NCc2cccnc2)ccc1;OC(=O)c1cccc(NCc2cccnc2)c1;c1cc(cc(c1)NCc2cccnc2)C(=O)O","InChI=1S/C13H12N2O2/c16-13(17)11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17)","","2022-08-29","2022-10-28","3-{[(pyridin-3-yl)methyl]amino}benzoic acid","2022-11-02"],["VI9","2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid","C18 H16 F3 N3 O4 S","O=C(Nc1sc(C)c(c1c1nc(no1)C(F)(F)F)C1CC1)C=1CCCC=1C(=O)O;Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c3onc(n3)C(F)(F)F)c1C4CC4;Cc1c(c(c(s1)NC(=O)C2=C(CCC2)C(=O)O)c3nc(no3)C(F)(F)F)C4CC4","InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)","","2023-05-09","2023-06-09","2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["CKC","(3S)-3,7-diaminoheptan-2-one","C7 H16 N2 O","O=C(C)C(N)CCCCN;CC(=O)[CH](N)CCCCN;CC(=O)C(CCCCN)N","InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1","","2014-09-15","2024-09-27","(3S)-3,7-diaminoheptan-2-one","2014-10-08"],["VIA","5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE","C22 H30 N6 O4 S","O=S(=O)(N1CCN(C)CC1)c4cc(C2=Nc3c(C(=O)N2)n(nc3CCC)C)c(OCC)cc4;CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4;CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C","InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)","SILDENAFIL; VIAGRA","2003-05-07","2020-01-26","5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one",""],["CKD","(S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide","C33 H32 F3 N3 O3 S","C1(N(CCNC1)S(c2ccccc2)(=O)=O)CCc3c(cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(F)cc5)F;Fc1ccc(cc1)C(CC(=O)Nc2cccc(F)c2CC[CH]3CNCCN3[S](=O)(=O)c4ccccc4)c5ccc(F)cc5;c1ccc(cc1)S(=O)(=O)N2CCNCC2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F","InChI=1S/C33H32F3N3O3S/c34-25-13-9-23(10-14-25)30(24-11-15-26(35)16-12-24)21-33(40)38-32-8-4-7-31(36)29(32)18-17-27-22-37-19-20-39(27)43(41,42)28-5-2-1-3-6-28/h1-16,27,30,37H,17-22H2,(H,38,40)/t27-/m0/s1","","2017-09-27","2017-12-29","3,3-bis(4-fluorophenyl)-N-(3-fluoro-2-{2-[(2S)-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)propanamide","2018-01-03"],["VIB","3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM","C12 H17 N4 O S","n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N;Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO","InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1","THIAMIN; VITAMIN B1","2001-04-17","2020-01-26","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium",""],["CKE","1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine","C25 H34 N6","n1cc2cc(n(c2nc1CN)C3CCCCC3)Cc4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(Cc3cc4cnc(CN)nc4n3C5CCCCC5)cc2;CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN","InChI=1S/C25H34N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15,17,26H2,1H3","","2007-10-24","2024-09-27","1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine",""],["CKF","3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid","C19 H20 N2 O6 S2","CNC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3;CNC(=O)c1ccc(cc1NS(=O)(=O)c2cccc(c2)S(=O)(=O)O)C3=CCCC3","InChI=1S/C19H20N2O6S2/c1-20-19(22)17-10-9-14(13-5-2-3-6-13)11-18(17)21-28(23,24)15-7-4-8-16(12-15)29(25,26)27/h4-5,7-12,21H,2-3,6H2,1H3,(H,20,22)(H,25,26,27)","","2022-04-04","2024-09-27","3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid","2023-09-27"],["VIC","1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline","C24 H29 N O4","CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC;CCOc1ccc(cc1OCC)Cc2c3cc(c(cc3ccn2)OCC)OCC","InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3","","2023-07-23","2023-11-17","1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline","2023-11-22"],["VIE","2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine","C12 H18 N2","CN(C)C1(Cc2ccccc2C1)CN;CN(C)C1(CN)Cc2ccccc2C1;CN(C)C1(Cc2ccccc2C1)CN","InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3","","2022-08-29","2022-10-28","2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine","2022-11-02"],["CKG","8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE","C22 H25 N7 O","O=C(N)c4nn(c3c2nc(/N=C1C=CCC=C1)ncc2CCc34)CC5CCNCC5;NC(=O)c1nn(CC2CCNCC2)c3c1CCc4cnc(N=C5C=CCC=C5)nc34;c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2","InChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h2-5,12,14,24H,1,6-11,13H2,(H2,23,30)","","2010-04-23","2011-06-04","8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide",""],["VIF","Flopristin","C28 H38 F N3 O6","O=C2N1CCCC1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(F)Cc3nc2co3)C)C)C(C)C;CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3;CC1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)C)F)O)C","InChI=1S/C28H38FN3O6/c1-17(2)26-19(4)9-10-24(34)30-11-5-7-18(3)13-21(33)14-20(29)15-25-31-22(16-37-25)27(35)32-12-6-8-23(32)28(36)38-26/h5,7,9-10,13,16-17,19-21,23,26,33H,6,8,11-12,14-15H2,1-4H3,(H,30,34)/b7-5+,10-9+,18-13+/t19-,20-,21-,23-,26-/m1/s1","","2014-06-19","2014-09-05","(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione","2014-07-30"],["CKH","2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide","C18 H17 F N2 O","Fc1ccccc1C(=O)NCCc3c2ccccc2nc3C;Cc1[nH]c2ccccc2c1CCNC(=O)c3ccccc3F;Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F","InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)","","2012-08-31","2013-02-08","2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide","2013-02-08"],["VIG","4-AMINO HEXANOIC ACID","C6 H13 N O2","O=C(O)CCC(N)CC;CC[CH](N)CCC(O)=O;CCC(CCC(=O)O)N","InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1","","2003-06-03","2024-09-27","(4R)-4-aminohexanoic acid",""],["CKI","N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE","C11 H12 Cl N3 O2 S","O=S(=O)(c1c2c(c(Cl)cc1)ccnc2)NCCN;NCCN[S](=O)(=O)c1ccc(Cl)c2ccncc12;c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl","InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2","","1999-07-08","2011-06-04","N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide",""],["CKJ","1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine","C22 H29 F N6","Fc4ccc(c2nn(c1nc(ncc12)NCCCC)CC3CCC(N)CC3)cc4;CCCCNc1ncc2c(n1)n(C[CH]3CC[CH](N)CC3)nc2c4ccc(F)cc4;CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F","InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-","","2011-08-23","2012-06-15","1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine",""],["VIH","7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one","C11 H9 Cl N4 O S2","Clc1sc2C(=O)N(CC3CC3)C4=NNC(=S)N4c2c1;c1c2c(sc1Cl)C(=O)N(C3=NNC(=S)N23)CC4CC4","InChI=1S/C11H9ClN4OS2/c12-7-3-6-8(19-7)9(17)15(4-5-1-2-5)10-13-14-11(18)16(6)10/h3,5H,1-2,4H2,(H,14,18)","","2023-03-08","2023-08-11","4-chloranyl-8-(cyclopropylmethyl)-12-sulfanylidene-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-trien-7-one","2023-08-16"],["VII","2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID","C18 H12 O5","O=C(O)c2c(oc(c1ccccc1)c2C(=O)O)c3ccccc3;OC(=O)c1c(oc(c2ccccc2)c1C(O)=O)c3ccccc3;c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O","InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)","2-5-DIPHENYL-3,4-FURANDICARBOXYLIC ACID","2006-03-30","2021-03-13","2,5-diphenylfuran-3,4-dicarboxylic acid",""],["CKK","N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide","C27 H27 F2 N7 O3","Fc1ccc(cc1)CC(=O)NC(=O)Nc5ccc(Oc4ncnn2c4c(cc2)CN3CCC(N)CC3)c(F)c5;NC1CCN(CC1)Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23;c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F","InChI=1S/C27H27F2N7O3/c28-19-3-1-17(2-4-19)13-24(37)34-27(38)33-21-5-6-23(22(29)14-21)39-26-25-18(7-12-36(25)32-16-31-26)15-35-10-8-20(30)9-11-35/h1-7,12,14,16,20H,8-11,13,15,30H2,(H2,33,34,37,38)","","2008-01-25","2011-06-04","N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide",""],["VIJ","2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid","C21 H23 N O3","CCCCCc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1;CCCCCc1ccc(cc1)C=CC(=O)Nc2ccccc2C(=O)O","InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+","N-(p-Amylcinnamoyl)anthranilic acid","2023-09-13","2024-04-12","2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid","2024-04-17"],["CKL","4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide","C19 H21 N9 O5 S","COc1ncnc(N[S](=O)(=O)c2ccc(NCC3=NC4=C(NC3)N=C(N)NC4=O)cc2)c1OC;COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N","InChI=1S/C19H21N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,9,21H,7-8H2,1-2H3,(H,23,24,28)(H4,20,22,26,27,29)","","2019-04-25","2020-02-07","4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide","2020-02-12"],["VIK","methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate","C7 H12 O4 S","O=S1(=O)CCC(CC(=O)OC)C1;COC(=O)C[CH]1CC[S](=O)(=O)C1;COC(=O)CC1CCS(=O)(=O)C1","InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3/t6-/m1/s1","","2022-08-29","2022-10-28","methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate","2022-11-02"],["CKM","N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","C34 H34 F3 N3 O3 S","C1(N(C(CNC1)C)S(c2ccccc2)(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F;C[CH]1CNC[CH](CCc2c(F)cccc2NC(=O)CC(c3ccc(F)cc3)c4ccc(F)cc4)N1[S](=O)(=O)c5ccccc5;CC1CNCC(N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F","InChI=1S/C34H34F3N3O3S/c1-23-21-38-22-28(40(23)44(42,43)29-6-3-2-4-7-29)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28+/m1/s1","","2017-09-27","2017-12-29","N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","2018-01-03"],["VIL","5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine","C11 H16 Cl N5","CC1(C)NC(=N[CH](N)N1c2ccc(Cl)cc2)N;CC1(NC(=NC(N1c2ccc(cc2)Cl)N)N)C","InChI=1S/C11H16ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6,10H,14H2,1-2H3,(H3,13,15,16)/t10-/m1/s1","","2023-03-08","2023-07-28","5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine","2023-08-02"],["CKN","(3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide","C22 H33 N7 O2","C[CH](CC(N)=O)c1ccn2ncnc(N[CH]3CC[CH](CC3)N4CCN(CC4)C(C)=O)c12;CC(CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C","InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1","","2017-11-28","2018-05-18","(3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide","2018-05-23"],["CKO","E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide","C32 H31 N5 O3","CN(C)CC=CC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5;CN(C)CC=CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)c5ccccc5","InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1","","2019-05-08","2019-11-29","(~{E})-4-(dimethylamino)-~{N}-[3-[4-[[(1~{S})-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide","2019-12-04"],["VIM","2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid","C13 H8 Cl F O3","OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2;c1cc(c(c(c1)Cl)C(=O)O)Oc2ccc(cc2)F","InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17)","","2023-07-25","2024-07-12","2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid","2024-07-17"],["VIN","12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one","C27 H24 N2 O3","O=C6N=Cc5c6c2c1c(cc(OC(C)C)cc1)CCc2c4c5c3ccccc3n4CCO;CC(C)Oc1ccc2c(CCc3c4n(CCO)c5ccccc5c4c6C=NC(=O)c6c23)c1;CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O","InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3","","2008-07-24","2011-06-04","12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one",""],["CKP","6-O-phosphono-beta-D-psicofuranosonic acid","C6 H11 O10 P","O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O;C(C1C(C(C(O1)(C(=O)O)O)O)O)OP(=O)(O)O","InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1","(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID;\n2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM; 6-O-phosphono-beta-D-psicosonic acid;\n6-O-phosphono-D-psicosonic acid; 6-O-phosphono-psicosonic acid","2006-01-19","2020-07-17","6-O-phosphono-beta-D-psicofuranosonic acid",""],["VIO","N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE","C9 H20 N3 O2","O=C(O)C(N)CCCN/C(=[NH2+])CCC;CCCC(=[NH2+])NCCC[CH](N)C(O)=O;CCCC(=[NH2+])NCCCC(C(=O)O)N","InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1","","2002-09-19","2011-06-04","1-{[(4S)-4-amino-4-carboxybutyl]amino}butan-1-iminium",""],["CKQ","4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid","C21 H21 N3 O7","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccc(cc4)C(O)=O;c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C21H21N3O7/c25-9-14-15(26)16(27)17(28)18(31-14)20-22-19(23-24-20)12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(29)30/h1-8,14-18,25-28H,9H2,(H,29,30)(H,22,23,24)/t14-,15-,16+,17-,18-/m1/s1","","2017-11-28","2018-02-23","4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid","2018-02-28"],["CKR","6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C15 H19 N7 O2","O=C2NC(=Nc1cc3nc(nc3cc12)NCCN4CCOCC4)N;NC1=Nc2cc3[nH]c(NCCN4CCOCC4)nc3cc2C(=O)N1;c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N","InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23)","6-Amino-2-[(2-morpholin-4-ylethyl)amino]-8-oxo-7,8-dihydro-1H-imidazo[4,5-G]quinazolin","2008-01-30","2020-06-17","6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["VIP","3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol","C9 H13 N O2","NC(C)(CO)c1cc(O)ccc1;C[C](N)(CO)c1cccc(O)c1;CC(CO)(c1cccc(c1)O)N","InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1","","2022-08-29","2022-10-28","3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol","2022-11-02"],["VIQ","4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE","C16 H23 N3 O3 S","O=S(=O)(Nc1c(nn(c1C)C)C)c2c(cc(OC)c(c2C)C)C;COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C;Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC","InChI=1S/C16H23N3O3S/c1-9-8-14(22-7)10(2)11(3)16(9)23(20,21)18-15-12(4)17-19(6)13(15)5/h8,18H,1-7H3","","2011-09-29","2014-05-02","4-methoxy-2,3,6-trimethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide",""],["CKS","N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","C34 H34 F3 N3 O3 S","C1(N(CC(C)NC1)S(c2ccccc2)(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F;C[CH]1CN([CH](CCc2c(F)cccc2NC(=O)CC(c3ccc(F)cc3)c4ccc(F)cc4)CN1)[S](=O)(=O)c5ccccc5;CC1CN(C(CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5","InChI=1S/C34H34F3N3O3S/c1-23-22-40(44(42,43)29-6-3-2-4-7-29)28(21-38-23)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28+/m1/s1","","2017-09-27","2017-12-29","N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","2018-01-03"],["VIR","VIRGINIAMYCIN M1","C28 H35 N3 O7","O=C2N1C(=CCC1)C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(=O)Cc3nc2co3)C)C)C(C)C;CC(C)[CH]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3;CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C","InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1","","2001-12-04","2011-06-04","(3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone",""],["CKT","Cys-ketimine","C11 H15 N2 O7 P S","Cc1c(c(c(cn1)COP(O)(=O)O)CN=C(C(O)=O)CS)O;Cc1ncc(CO[P](O)(O)=O)c(CN=C(CS)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CS)C(=O)O)O","InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-9+","(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-sulfanylpropanoic acid","2019-02-18","2021-03-01","(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-sulfanylpropanoic acid","2019-07-03"],["VIS","2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide","C19 H14 Cl2 N2 O3 S","C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)Nc2ccc(Cl)c(c2)c3ccccn3;CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl","InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)","","2016-06-03","2016-07-15","2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide","2016-07-20"],["CKU","(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid","C9 H17 N O4","CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O;CCCN1CC(C(C(C1)O)O)C(=O)O","InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1","","2019-05-09","2020-06-05","(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid","2020-06-10"],["CKV","N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","C34 H34 F3 N3 O3 S","C1(CNC(CN1S(c2ccccc2)(=O)=O)C)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F;C[CH]1CN([CH](CCc2c(F)cccc2NC(=O)CC(c3ccc(F)cc3)c4ccc(F)cc4)CN1)[S](=O)(=O)c5ccccc5;CC1CN(C(CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5","InChI=1S/C34H34F3N3O3S/c1-23-22-40(44(42,43)29-6-3-2-4-7-29)28(21-38-23)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28-/m0/s1","","2017-09-27","2017-12-29","N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","2018-01-03"],["VIT","VITAMIN E","C29 H50 O2","Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[C]1(C)CCc2c(C)c(O)c(C)c(C)c2O1;Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C","InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1","2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL","2000-08-02","2020-06-17","(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol",""],["VIU","1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine","C23 H29 N3 S","CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5;CCc1cc(cc2c1N=C3C(=CC(=CC3=S2)N4CCCC4)C)N5CCCC5","InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3","","2023-03-08","2024-02-02","1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine","2024-02-07"],["CKW","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","C20 H21 N3 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C20H21N3O5/c24-10-14-15(25)16(26)17(27)18(28-14)20-21-19(22-23-20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18,24-27H,10H2,(H,21,22,23)/t14-,15-,16+,17-,18-/m1/s1","","2017-11-28","2018-02-23","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol","2018-02-28"],["VIV","(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL","C29 H50 O2","Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[C]1(C)CCc2c(C)c(O)c(C)c(C)c2O1;Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C","InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1","","2003-11-04","2011-06-04","(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol",""],["CKX","(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid","C9 H17 N O4","CCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O;CCCC1C(C(C(CN1)O)O)C(=O)O","InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1","","2019-05-09","2020-06-05","(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid","2020-06-10"],["VIW","3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid","C18 H15 N3 O2","Nc1cccc(c2cn(CCC(O)=O)c3ccccc23)c1C#N;c1ccc2c(c1)c(cn2CCC(=O)O)c3cccc(c3C#N)N","InChI=1S/C18H15N3O2/c19-10-14-12(5-3-6-16(14)20)15-11-21(9-8-18(22)23)17-7-2-1-4-13(15)17/h1-7,11H,8-9,20H2,(H,22,23)","","2023-09-13","2024-07-19","3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid","2024-07-24"],["CKY","N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","C34 H34 F3 N3 O3 S","C1(N(C(CNC1)C)S(c2ccccc2)(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F;C[CH]1CNC[CH](CCc2c(F)cccc2NC(=O)CC(c3ccc(F)cc3)c4ccc(F)cc4)N1[S](=O)(=O)c5ccccc5;CC1CNCC(N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F","InChI=1S/C34H34F3N3O3S/c1-23-21-38-22-28(40(23)44(42,43)29-6-3-2-4-7-29)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28-/m0/s1","","2017-09-27","2017-12-29","N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide","2018-01-03"],["CKZ","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol","C21 H21 N3 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc4c(Cc5ccccc45)c3;c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)C5C(C(C(C(O5)CO)O)O)O","InChI=1S/C21H21N3O5/c25-9-15-16(26)17(27)18(28)19(29-15)21-22-20(23-24-21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8,15-19,25-28H,7,9H2,(H,22,23,24)/t15-,16-,17+,18-,19-/m1/s1","","2017-11-28","2018-02-23","(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol","2018-02-28"],["VIX","(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid","C12 H14 Cl N O3","OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1;OC(=O)[CH](N1CCOCC1)c2ccc(Cl)cc2;c1cc(ccc1C(C(=O)O)N2CCOCC2)Cl","InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1","","2022-08-29","2022-10-28","(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid","2022-11-02"],["VIY","(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid","C20 H20 Cl N O4","Clc1cccc(c1)C(=O)NC1CC(Oc2ccccc2)CCC1C(=O)O;OC(=O)[CH]1CC[CH](C[CH]1NC(=O)c2cccc(Cl)c2)Oc3ccccc3;c1ccc(cc1)OC2CCC(C(C2)NC(=O)c3cccc(c3)Cl)C(=O)O","InChI=1S/C20H20ClNO4/c21-14-6-4-5-13(11-14)19(23)22-18-12-16(9-10-17(18)20(24)25)26-15-7-2-1-3-8-15/h1-8,11,16-18H,9-10,12H2,(H,22,23)(H,24,25)/t16-,17-,18+/m1/s1","","2023-05-09","2023-06-09","(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid","2023-06-14"],["CL","CHLORIDE ION","Cl","[Cl-];[Cl-];[Cl-]","InChI=1S/ClH/h1H/p-1","","1999-07-08","2024-09-27","chloride",""],["VIZ","2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid","C18 H16 N2 O6 S2","ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O;c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)N=C3N(C(=CS3)CC(=O)O)O","InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18-","","2023-07-27","2023-12-08","2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid","2023-12-13"],["CL0","CHLOROPHYLL A ISOMER","C55 H72 Mg N4 O5","CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C;CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C","InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+4/p-1/b34-26+;/t32-,33-,37+,41+,51+;/m1./s1","","2013-12-13","2014-01-31","","2014-02-05"],["VJ0","(1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine","C9 H12 F N O","Fc1cc(ccc1OC)C(C)N;COc1ccc(cc1F)[CH](C)N;CC(c1ccc(c(c1)F)OC)N","InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m0/s1","","2022-08-29","2022-10-28","(1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine","2022-11-02"],["CL1","ALPHA CHLOROPHYLL A","C55 H72 Mg N4 O5","CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C;CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C","InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+4/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1","","2001-06-25","2013-12-13","",""],["VJ1","2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose","C34 H68 N O12 P","C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO;CCCCCCCCCCC[CH](O)C[CH](O)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(O)=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCCC;CCCCCCCCCCCC(CC(O)OC1C(C(OC(C1O)CO)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)O","InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1","","2020-08-13","2020-08-21","2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose","2020-08-26"],["CL2","BETA CHLOROPHYLL A","C55 H72 Mg N4 O5","CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C;CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C","InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+4/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1","","2001-06-25","2013-12-13","",""],["VJ2","2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile","C23 H20 Cl N7 O","CN1C(=O)C=C(NC(C)(C)c2ncccn2)c3cc(Nc4ccnc(Cl)c4C#N)ccc13;CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C","InChI=1S/C23H20ClN7O/c1-23(2,22-27-8-4-9-28-22)30-18-12-20(32)31(3)19-6-5-14(11-15(18)19)29-17-7-10-26-21(24)16(17)13-25/h4-12,30H,1-3H3,(H,26,29)","2-Chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile; 135385909","2021-05-18","2021-12-03","2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile","2021-12-08"],["CL3","N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE","C20 H17 N5 O","O=C(N(c4cccc(c2nnc1ccc(nn12)c3ccccc3)c4)C)C;CN(C(C)=O)c1cccc(c1)c2nnc3ccc(nn23)c4ccccc4;CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4","InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3","","2004-12-06","2011-06-04","N-methyl-N-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide",""],["VJ3","1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline","C18 H18 N2 O3","OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1;OC(=O)[CH]1CCCN1C(=O)Nc2ccccc2c3ccccc3;c1ccc(cc1)c2ccccc2NC(=O)N3CCCC3C(=O)O","InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1","","2023-05-09","2023-06-09","1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline","2023-06-14"],["CL4","N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE","C19 H19 N7 O8","[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C4OC(n3cnc2c(ncnc23)N)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)[N+]([O-])=O)[CH](O)[CH]3O;c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-]","InChI=1S/C19H19N7O8/c20-16-12-17(23-6-22-16)25(7-24-12)19-15(30)14(29)11(34-19)2-1-3-21-18(31)9-4-8(26(32)33)5-10(27)13(9)28/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,21,31)(H2,20,22,23)/b2-1+/t11-,14-,15-,19-/m1/s1","","2001-09-06","2011-06-04","9-[(5E)-5,6,7-trideoxy-7-{[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine",""],["VJ4","2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-alpha-D-glucopyranose","C22 H44 N O11 P","N(C(CC(OC(=O)CCCC)CCCCCCCC)O)C1C(OC(C(OP(O)(=O)O)C1O)CO)O;CCCCCCCC[CH](C[CH](O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC;CCCCCCCCC(CC(NC1C(C(C(OC1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC","InChI=1S/C22H44NO11P/c1-3-5-7-8-9-10-11-15(32-18(26)12-6-4-2)13-17(25)23-19-20(27)21(34-35(29,30)31)16(14-24)33-22(19)28/h15-17,19-25,27-28H,3-14H2,1-2H3,(H2,29,30,31)/t15-,16-,17+,19-,20-,21-,22-/m1/s1","","2020-08-13","2020-08-21","2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-beta-D-glucopyranose","2020-08-26"],["CL5","N-(3-OXOPROPYL)GLYCINE","C5 H9 N O3","O=CCCNCC(=O)O;OC(=O)CNCCC=O;C(CNCC(=O)O)C=O","InChI=1S/C5H9NO3/c7-3-1-2-6-4-5(8)9/h3,6H,1-2,4H2,(H,8,9)","FRAGMENT OF CLAVULANIC ACID","2006-10-11","2020-06-17","N-(3-oxopropyl)glycine",""],["CL6","1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE","C22 H17 Cl N2","Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4;Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4;c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4","InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H","CLOTRIMAZOLE","2006-10-26","2021-03-01","1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole",""],["VJ5","2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile","C22 H18 Cl N7 O","C[CH](NC1=CC(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c4ncccn4;CC(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C","InChI=1S/C22H18ClN7O/c1-13(22-26-7-3-8-27-22)28-18-11-20(31)30(2)19-5-4-14(10-15(18)19)29-17-6-9-25-21(23)16(17)12-24/h3-11,13,28H,1-2H3,(H,25,29)/t13-/m1/s1","2-Chloro-4-[[1-methyl-2-oxo-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile; 135385752","2021-05-18","2021-12-03","2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1~{R})-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile","2021-12-08"],["VJ6","valerjesomycin","C28 H41 N3 O9","O=C2Nc1cc(cc(OC)c1)COCC(OC)C(OC)C(C=C(C(OC(=O)N)C(OC(=O)N)CCC=C2C)C)C;CO[CH]1COCc2cc(NC(=O)C(=CCC[CH](OC(N)=O)[CH](OC(N)=O)C(=C[CH](C)[CH]1OC)C)C)cc(OC)c2;CC1C=C(C(C(CCC=C(C(=O)Nc2cc(cc(c2)OC)COCC(C1OC)OC)C)OC(=O)N)OC(=O)N)C","InChI=1S/C28H41N3O9/c1-16-8-7-9-22(39-27(29)33)25(40-28(30)34)18(3)10-17(2)24(37-6)23(36-5)15-38-14-19-11-20(31-26(16)32)13-21(12-19)35-4/h8,10-13,17,22-25H,7,9,14-15H2,1-6H3,(H2,29,33)(H2,30,34)(H,31,32)/b16-8+,18-10+/t17-,22-,23-,24+,25-/m0/s1","(4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate","2013-03-22","2021-03-13","(4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate","2013-04-10"],["CL7","CHLOROPHYLL D","C54 H70 Mg N4 O6","CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=C7[CH](C(=O)OC)C(=O)c8c(C)c9C=C1[N]2[Mg]4([N]56)n9c78)c(C)c3C=O;CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)C(C8=C9N6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)C)C=O)C","InChI=1S/C54H72N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H2-2,55,56,57,58,59,61);/q-2;+4/p-2/b33-24+,43-26-;/t31-,32-,35+,39+,50-;/m1./s1","","2010-01-09","2012-01-05","",""],["VJ7","3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide","C24 H22 N2 O4 S","Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14;Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3ccc(cc3)Oc4ccccc4","InChI=1S/C24H22N2O4S/c1-18-17-26(23-10-6-5-9-22(18)23)16-15-24(27)25-31(28,29)21-13-11-20(12-14-21)30-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,27)","","2023-09-13","2024-07-19","3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide","2024-07-24"],["CL8","CHLORAMPHENICOL SUCCINATE","C15 H16 Cl2 N2 O8","ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)COC(=O)CCC(=O)O;O[CH]([CH](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]","InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1","","2008-08-28","2011-06-04","4-{[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid",""],["VJ8","edaGDP","C16 H25 N7 O13 P2","CCC(=O)NCCNC(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N;CCC(=O)NCCNC(=O)OC1C(OC(C1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C16H25N7O13P2/c1-2-8(24)18-3-4-19-16(27)35-11-7(5-33-38(31,32)36-37(28,29)30)34-14(10(11)25)23-6-20-9-12(23)21-15(17)22-13(9)26/h6-7,10-11,14,25H,2-5H2,1H3,(H,18,24)(H,19,27)(H,31,32)(H2,28,29,30)(H3,17,21,22,26)/t7-,10-,11-,14-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[2-(propanoylamino)ethyl]carbamate","2021-05-18","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[2-(propanoylamino)ethyl]carbamate","2022-08-03"],["CL9","2-chloro-2'-deoxyadenosine","C10 H12 Cl N5 O3","Clc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N;Nc1nc(Cl)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;c1nc2c(nc(nc2n1C3CC(C(O3)CO)O)Cl)N","InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1","","2008-02-18","2011-06-04","2-chloro-2'-deoxyadenosine",""],["CLA","CHLOROPHYLL A","C55 H72 Mg N4 O5","O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9;CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C;CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C","InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1","","1999-07-08","2021-06-25","[methyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}phorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium",""],["VJ9","ethyl 4-fluoro-3-nitrobenzoate","C9 H8 F N O4","Fc1ccc(cc1[N+](=O)[O-])C(=O)OCC;CCOC(=O)c1ccc(F)c(c1)[N+]([O-])=O;CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])F","InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3","","2022-08-29","2026-04-06","ethyl 4-fluoro-3-nitrobenzoate","2022-11-02"],["VJA","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C26 H40 N4 O6","c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O;CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)C)NC(=O)OCc2ccccc2","InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20+,21-,22-/m0/s1","","2020-08-14","2024-09-27","N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2021-10-13"],["CLB","D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE","C13 H19 B Cl N2 O6","Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N;CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)OC[CH](N)C(O)=O;[B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OCC(C(=O)O)N","InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1","","1999-07-08","2024-09-27","[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)",""],["VJB","bdaGDP","C18 H29 N7 O13 P2","CCC(=O)NCCCCNC(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23;CCC(=O)NCCCCNC(=O)OC1C(OC(C1O)n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)O","InChI=1S/C18H29N7O13P2/c1-2-10(26)20-5-3-4-6-21-18(29)37-13-9(7-35-40(33,34)38-39(30,31)32)36-16(12(13)27)25-8-22-11-14(25)23-17(19)24-15(11)28/h8-9,12-13,16,27H,2-7H2,1H3,(H,20,26)(H,21,29)(H,33,34)(H2,30,31,32)(H3,19,23,24,28)/t9-,12-,13-,16-/m1/s1","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[4-(propanoylamino)butyl]carbamate","2021-05-18","2024-09-27","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[4-(propanoylamino)butyl]carbamate","2022-08-03"],["CLC","N-ACETYL-P-NITROPHENYLSERINOL","C11 H14 N2 O5","[O-][N+](=O)c1ccc(cc1)C(O)C(NC(=O)C)CO;CC(=O)N[CH](CO)[CH](O)c1ccc(cc1)[N+]([O-])=O;CC(=O)NC(CO)C(c1ccc(cc1)[N+](=O)[O-])O","InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1","","2001-12-15","2011-06-04","N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide",""],["VJE","2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide","C20 H17 Cl N4 O2 S","Cc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1;Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl","InChI=1S/C20H17ClN4O2S/c1-14-23-24-19(27-14)12-25(11-16-8-6-15(10-22)7-9-16)20(26)13-28-18-5-3-2-4-17(18)21/h2-9H,11-13H2,1H3","","2021-05-19","2021-10-08","2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide","2021-10-13"],["CLD","D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE","C13 H19 B Cl N2 O6","Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N;CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)OC[CH](N)C(O)=O;[B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OCC(C(=O)O)N","InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1","","1999-07-08","2024-09-27","[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)",""],["CLE","LEUCINE AMIDE","C6 H14 N2 O","O=C(N)C(N)CC(C)C;CC(C)C[CH](N)C(N)=O;CC(C)CC(C(=O)N)N","InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1","","1999-10-12","2011-12-12","L-leucinamide",""],["VJF","2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid","C14 H15 N3 O6 S2","ON1C(=CSC1=NC(=O)CCN[S](=O)(=O)c2ccccc2)CC(O)=O;c1ccc(cc1)S(=O)(=O)NCCC(=O)N=C2N(C(=CS2)CC(=O)O)O","InChI=1S/C14H15N3O6S2/c18-12(16-14-17(21)10(9-24-14)8-13(19)20)6-7-15-25(22,23)11-4-2-1-3-5-11/h1-5,9,15,21H,6-8H2,(H,19,20)/b16-14-","","2023-07-27","2023-12-08","2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid","2023-12-13"],["VJG","{(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid","C15 H16 N4 O3","c1(ccc(cc1)c2nnnn2)C(C3CCCC3CC(O)=O)=O;OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)c3[nH]nnn3;c1cc(ccc1c2[nH]nnn2)C(=O)C3CCCC3CC(=O)O","InChI=1S/C15H16N4O3/c20-13(21)8-11-2-1-3-12(11)14(22)9-4-6-10(7-5-9)15-16-18-19-17-15/h4-7,11-12H,1-3,8H2,(H,20,21)(H,16,17,18,19)/t11-,12+/m0/s1","","2020-08-17","2021-09-03","{(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid","2021-09-08"],["CLF","FE(8)-S(7) CLUSTER","Fe8 S7","S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4;[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71","InChI=1S/8Fe.7S","","1999-07-08","2023-09-23","",""],["VJH","2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide","C29 H31 F N10 O","CN(C)CCn1cc(cn1)c2cc(Nc3[nH]nc(C)c3)nc(Nc4ccc(CC(=O)Nc5cccc(F)c5)cc4)n2;Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C","InChI=1S/C29H31FN10O/c1-19-13-27(38-37-19)35-26-16-25(21-17-31-40(18-21)12-11-39(2)3)34-29(36-26)33-23-9-7-20(8-10-23)14-28(41)32-24-6-4-5-22(30)15-24/h4-10,13,15-18H,11-12,14H2,1-3H3,(H,32,41)(H3,33,34,35,36,37,38)","","2021-05-19","2022-02-04","2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide","2022-02-09"],["CLG","2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID","C10 H20 N4 O5","O=C(NCCCCC(C(=O)O)N)CNC(=O)CON;NOCC(=O)NCC(=O)NCCCC[CH](N)C(O)=O;C(CCNC(=O)CNC(=O)CON)CC(C(=O)O)N","InChI=1S/C10H20N4O5/c11-7(10(17)18)3-1-2-4-13-8(15)5-14-9(16)6-19-12/h7H,1-6,11-12H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m0/s1","","2001-10-05","2024-09-27","N~6~-{N-[(aminooxy)acetyl]glycyl}-L-lysine",""],["VJI","(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine","C10 H14 N2 O2","NCC(N)c1ccc2OCCOc2c1;NC[CH](N)c1ccc2OCCOc2c1;c1cc2c(cc1C(CN)N)OCCO2","InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1","","2022-08-29","2022-10-28","(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine","2022-11-02"],["CLH","2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID","C10 H17 N3 O5","O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O;N[CH](CCCCNC(=O)CNC(=O)C=O)C(O)=O;C(CCNC(=O)CNC(=O)C=O)CC(C(=O)O)N","InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1","","2001-10-05","2024-09-27","N~6~-[N-(oxoacetyl)glycyl]-L-lysine",""],["VJJ","3-phenoxybenzoic acid","C13 H10 O3","O=C(O)c2cc(Oc1ccccc1)ccc2;OC(=O)c1cccc(Oc2ccccc2)c1;c1ccc(cc1)Oc2cccc(c2)C(=O)O","InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)","","2011-12-14","2012-03-30","3-phenoxybenzoic acid",""],["CLI","3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID","C12 H9 Cl2 N O4","Clc1cc2c(c(Cl)c1)c(c(C(=O)O)n2)CCC(=O)O;OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O;c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl","InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)","MDL-29951","2002-04-12","2021-03-01","3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid",""],["CLJ","Calicheamicin alpha3I","C47 H59 I N2 O19 S4","O=C(OC)NC=6C(=O)CC5(O)C#CC=CC#CC(OC4OC(C(NOC3OC(C(SC(=O)c2c(c(I)c(OC1OC(C)C(O)C(OC)C1O)c(OC)c2OC)C)C(O)C3)C)C(O)C4O)C)C=6C5=C/CSSSC;CO[CH]1[CH](O)[CH](C)O[CH](Oc2c(I)c(C)c(C(=O)S[CH]3[CH](O)C[CH](ON[CH]4[CH](C)O[CH](O[CH]5C#CC=CC#C[C]6(O)CC(=O)C(=C5C6=CCSSSC)NC(=O)OC)[CH](O)[CH]4O)O[CH]3C)c(OC)c2OC)[CH]1O;Cc1c(c(c(c(c1I)OC2C(C(C(C(O2)C)O)OC)O)OC)OC)C(=O)SC3C(OC(CC3O)ONC4C(OC(C(C4O)O)OC5C#CC=CC#CC6(CC(=O)C(=C5C6=CCSSSC)NC(=O)OC)O)C)C","InChI=1S/C47H59IN2O19S4/c1-20-29(38(60-5)41(62-7)39(31(20)48)68-45-37(56)40(61-6)34(53)22(3)66-45)43(57)72-42-23(4)64-28(18-25(42)51)69-50-32-21(2)65-44(36(55)35(32)54)67-27-14-12-10-11-13-16-47(59)19-26(52)33(49-46(58)63-8)30(27)24(47)15-17-71-73-70-9/h10-11,15,21-23,25,27-28,32,34-37,40,42,44-45,50-51,53-56,59H,17-19H2,1-9H3,(H,49,58)/b11-10-,24-15+/t21-,22+,23-,25+,27+,28+,32-,34+,35+,36-,37-,40-,42-,44+,45+,47+/m1/s1","S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-[[(2S,5Z,9R,13E)-9-hydroxy-12-(methoxycarbonylamino)-13-(2-methylsulfanyldisulfanylethylidene)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyl-oxan-3-yl]amino]oxy-4-hydroxy-2-methyl-oxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methyl-benzenecarbothioate","2010-10-21","2021-03-13","S-[(2R,3S,4S,6S)-6-({[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2S,5Z,9R,13E)-9-hydroxy-12-[(methoxycarbonyl)amino]-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-1(12),5-diene-3,7-diyn-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]amino}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl] 4-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-iodo-5,6-dimethoxy-2-methylbenzenecarbothioate (non-preferred name)",""],["VJK","(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide","C18 H19 F3 N6 O","C(C(Nc1ccnc(n1)c2cnc3c2cccn3)(C)C(NCC(F)(F)F)=O)C;CC[C](C)(Nc1ccnc(n1)c2c[nH]c3ncccc23)C(=O)NCC(F)(F)F;CCC(C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3","InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1","Decernotinib; Adelatinib; VX-509","2015-03-20","2020-05-26","N~2~-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-D-isovalinamide","2015-08-12"],["VJL","Co-linked Tetra-amido macrocyclic ligand","C29 H37 Co N7 O6 S","CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Co]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67;CC1(C(=O)N2C(C(=O)N3[Co]24N(c5c3ccc(c5)C(=O)NCCCCC6C7C(CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C","InChI=1S/C29H41N7O6S.Co/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20;/h10-11,13,18-20H,7-9,12,14H2,1-6H3,(H7,30,31,32,33,34,35,36,37,38,39,40,41,42);/q;+4/p-4/t18-,19-,20-;/m0./s1","","2023-03-09","2023-10-13","","2023-10-18"],["CLK","ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL","C11 H14 Cl2 N2 O3","ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO;Nc1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl;c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)N","InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1","","2001-12-15","2011-06-04","N-[(1R,2R)-2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloroacetamide",""],["VJM","4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine","C20 H26 N6 O2 S","CC1COCCN1c5cc(C2(S(C)(N)O)CC2)nc(c3ccnc4c3ccn4)n5;C[CH]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S](C)(N)O;CC1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(C)(N)O","InChI=1S/C20H26N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,27H,5-6,9-10,12,21H2,1-2H3,(H,22,23)/t13-/m1/s1","","2020-08-17","2021-08-20","4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine","2021-08-25"],["CLL","CHOLESTERYL LINOLEATE","C45 H76 O2","O=C(OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C)CCCCCCCC=C/CC=C/CCCCC;CCCCCC=CCC=CCCCCCCCC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CC=C2C1)[CH](C)CCCC(C)C;CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C","InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1","","1999-07-08","2011-06-04","(3alpha,8alpha,17alpha)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate",""],["VJN","8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","C14 H13 N O2 S","CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1;CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O","InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16)","","2021-05-20","2021-12-03","8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one","2021-12-08"],["CLM","CHLORAMPHENICOL","C11 H12 Cl2 N2 O5","ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO;OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]","InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1","","1999-07-08","2011-06-04","2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide",""],["CLN","SULFUR SUBSTITUTED PROTOPORPHYRIN IX","C34 H32 Fe N4 O4 S","CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)[CH]7C=CS[C]67C)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C9(C(C7=C2)C=CS9)C)C)CCC(=O)O","InChI=1S/C34H34N4O4S.Fe/c1-6-20-17(2)24-13-25-18(3)21(7-9-32(39)40)27(35-25)15-28-22(8-10-33(41)42)19(4)26(36-28)14-30-23-11-12-43-34(23,5)31(38-30)16-29(20)37-24;/h6,11-16,23H,1,7-10H2,2-5H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/t23-,34-;/m1./s1","","1999-07-08","2023-09-23","",""],["VJO","N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide","C9 H11 N O4 S","CS(=O)(=O)Nc1ccc2OCCOc2c1;C[S](=O)(=O)Nc1ccc2OCCOc2c1;CS(=O)(=O)Nc1ccc2c(c1)OCCO2","InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3","","2022-08-29","2022-10-28","N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide","2022-11-02"],["CLO","CHLORO GROUP","Cl","Cl;[Cl];[Cl-]","InChI=1/ClH/h1H","","2001-04-06","2008-10-14","hydrogen chloride",""],["VJP","1-[(4-aminophenyl)sulfonyl]piperidin-2-one","C11 H14 N2 O3 S","O=C2N(S(=O)(=O)c1ccc(N)cc1)CCCC2;Nc1ccc(cc1)[S](=O)(=O)N2CCCCC2=O;c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O","InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2","","2014-07-02","2015-02-27","1-[(4-aminophenyl)sulfonyl]piperidin-2-one","2015-03-04"],["VJQ","3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one","C17 H16 N2 O4","CN1C(=O)c2ccccc2NC(=C1[CH](OO)c3ccccc3)O;CN1C(=O)c2ccccc2NC(=C1C(c3ccccc3)OO)O","InChI=1S/C17H16N2O4/c1-19-14(15(23-22)11-7-3-2-4-8-11)16(20)18-13-10-6-5-9-12(13)17(19)21/h2-10,15,18,20,22H,1H3/t15-/m0/s1","","2021-05-20","2022-05-27","3-[(~{S})-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1~{H}-1,4-benzodiazepin-5-one","2022-06-01"],["CLP","FE-S CLUSTER","Fe8 S8","S1[Fe]S[Fe]2S[Fe][S]2([Fe]1)[S]34[Fe]S[Fe]S[Fe]3S[Fe]4;[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71","InChI=1S/8Fe.S2.6S/c;;;;;;;;1-2;;;;;;","","1999-07-08","2023-09-23","",""],["CLQ","N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE","C18 H26 Cl N3","Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC;CCN(CC)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12;CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl","InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1","CHLOROQUINE","1999-07-08","2021-03-01","(4R)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine",""],["VJS","{(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid","C17 H18 O7","C(C(C2C(C(c1ccc(cc1)CC(O)=O)=O)CCC2)C(O)=O)(O)=O;OC(=O)Cc1ccc(cc1)C(=O)[CH]2CCC[CH]2C(C(O)=O)C(O)=O;c1cc(ccc1CC(=O)O)C(=O)C2CCCC2C(C(=O)O)C(=O)O","InChI=1S/C17H18O7/c18-13(19)8-9-4-6-10(7-5-9)15(20)12-3-1-2-11(12)14(16(21)22)17(23)24/h4-7,11-12,14H,1-3,8H2,(H,18,19)(H,21,22)(H,23,24)/t11-,12-/m1/s1","","2020-08-17","2021-09-03","{(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid","2021-09-08"],["VJT","(2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine","C18 H25 N O4","C[CH]1O[CH](C#Cc2ccc(cc2)C(C)(C)CN)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)C#Cc2ccc(cc2)C(C)(C)CN)O)O)O","InChI=1S/C18H25NO4/c1-11-15(20)17(22)16(21)14(23-11)9-6-12-4-7-13(8-5-12)18(2,3)10-19/h4-5,7-8,11,14-17,20-22H,10,19H2,1-3H3/t11-,14+,15+,16+,17+/m0/s1","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol","2021-05-20","2022-05-27","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol","2022-06-01"],["CLR","CHOLESTEROL","C27 H46 O","OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C;CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1","","2002-05-16","2024-09-27","(3beta,14beta,17alpha)-cholest-5-en-3-ol",""],["VJV","(1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide","C31 H43 N5 O3","O=C(C2C1(CCN(C)CC1)C2)NC(c3nc(cn3)c5cc4ccc(C)nc4cc5)CCCCCC(CC)(O)O;CCC(O)(O)CCCCC[CH](NC(=O)[CH]1CC12CCN(C)CC2)c3[nH]cc(n3)c4ccc5nc(C)ccc5c4;CCC(CCCCCC(c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)C4CC45CCN(CC5)C)(O)O","InChI=1S/C31H43N5O3/c1-4-31(38,39)13-7-5-6-8-26(35-29(37)24-19-30(24)14-16-36(3)17-15-30)28-32-20-27(34-28)23-11-12-25-22(18-23)10-9-21(2)33-25/h9-12,18,20,24,26,38-39H,4-8,13-17,19H2,1-3H3,(H,32,34)(H,35,37)/t24-,26+/m1/s1","","2020-08-17","2021-08-06","(1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide","2021-08-11"],["CLS","CEPHALOTHIN","C16 H16 N2 O6 S2","O=C2N1C(=C(CSC1C2NC(=O)Cc3sccc3)COC(=O)C)C(=O)O;CC(=O)OCC1=C(N2[CH](SC1)[CH](NC(=O)Cc3sccc3)C2=O)C(O)=O;CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O","InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1","3-ACETOXYMETHYL-8-OXO-7-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID","2002-02-07","2021-03-01","(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",""],["VJW","5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose)","C17 H20 N2 O6","C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(N)c3)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)NC(=O)c2ccc(o2)c3cccc(c3)N)O)O)O","InChI=1S/C17H20N2O6/c1-8-13(20)14(21)15(22)17(24-8)19-16(23)12-6-5-11(25-12)9-3-2-4-10(18)7-9/h2-8,13-15,17,20-22H,18H2,1H3,(H,19,23)/t8-,13+,14+,15-,17-/m0/s1","5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide","2021-05-20","2022-05-27","5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide","2022-06-01"],["CLT","4-PHENYL-BUTANOIC ACID","C10 H12 O2","O=C(O)CCCc1ccccc1;OC(=O)CCCc1ccccc1;c1ccc(cc1)CCCC(=O)O","InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)","GAMMA-PHENYL-BUTYRIC ACID","1999-07-08","2020-06-17","4-phenylbutanoic acid",""],["CLU","2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE","C9 H9 Cl2 N3","Clc2c(N=C1/NCCN1)c(Cl)ccc2;Clc1cccc(Cl)c1N=C2NCCN2;c1cc(c(c(c1)Cl)N=C2NCCN2)Cl","InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)","CLONIDINE","2007-05-01","2021-03-01","2,6-dichloro-N-imidazolidin-2-ylideneaniline",""],["VJX","Rebamipide","C19 H15 Cl N2 O4","Clc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O;OC(=O)[CH](CC1=CC(=O)Nc2ccccc12)NC(=O)c3ccc(Cl)cc3;c1ccc2c(c1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)c3ccc(cc3)Cl","InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1","N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine","2023-09-13","2024-02-02","N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine","2024-02-07"],["VJY","N-[(5-acetylthiophen-2-yl)methyl]acetamide","C9 H11 N O2 S","O=C(C)NCc1ccc(s1)C(C)=O;CC(=O)NCc1sc(cc1)C(C)=O;CC(=O)c1ccc(s1)CNC(=O)C","InChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)","","2022-08-29","2022-10-28","N-[(5-acetylthiophen-2-yl)methyl]acetamide","2022-11-02"],["CLV","{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID","C7 H11 N3 O3","O=C1C=NC(N1CC(=O)O)C(N)C;C[CH](N)[CH]1N=CC(=O)N1CC(O)=O;CC(C1N=CC(=O)N1CC(=O)O)N","InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1","CHROMOPHORE (ALA-PHE-GLY)","2007-03-22","2024-09-27","{(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["VJZ","5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine","C23 H23 N7 O","CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C;Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C","InChI=1S/C23H23N7O/c1-15-11-18(20-12-25-29(4)16(20)2)6-7-19(15)22-26-27-23(31-22)28(3)13-17-5-8-21-24-9-10-30(21)14-17/h5-12,14H,13H2,1-4H3","","2021-05-20","2021-09-10","5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine","2021-09-15"],["CLW","CHLORZOXAZONE","C7 H4 Cl N O2","Clc2cc1c(OC(=O)N1)cc2;Clc1ccc2OC(=O)Nc2c1;c1cc2c(cc1Cl)NC(=O)O2","InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)","5-CHLORO-2-BENZOXAZOLONE","2002-07-26","2020-06-17","5-chloro-1,3-benzoxazol-2(3H)-one",""],["VK0","2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole","C26 H23 N2 O S","COc1ccc(cc1)c1ccc2c(c1)C(C=CN2C)=Cc1sc2ccccc2[n+]1C;COc1ccc(cc1)c2ccc3N(C)C=CC(=Cc4sc5ccccc5[n+]4C)c3c2;C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cc(cc4)c5ccc(cc5)OC)C","InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1","","2023-09-13","2024-03-22","2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium","2024-03-27"],["CLX","TRI-CHLORO-ACETALDEHYDE","C2 H Cl3 O","ClC(Cl)(Cl)C=O;ClC(Cl)(Cl)C=O;C(=O)C(Cl)(Cl)Cl","InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H","","1999-07-08","2024-09-27","trichloroacetaldehyde",""],["VK1","1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide","C13 H21 N5 O2 S2","C1(N(CCOC1)c3cc(C2(CC2)S(N)(=N)=O)nc(n3)SC)C;CSc1nc(cc(n1)C2(CC2)[S](N)(=N)=O)N3CCOC[CH]3C;CC1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N","InChI=1S/C13H21N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9H,3-6,8H2,1-2H3,(H3,14,15,19)/t9-/m1/s1","","2020-08-18","2021-08-20","1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide","2021-08-25"],["CLY","CLINDAMYCIN","C18 H33 Cl N2 O5 S","ClC(C)C(NC(=O)C1N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O;CCC[CH]1C[CH](N(C)C1)C(=O)N[CH]([CH](C)Cl)[CH]2O[CH](SC)[CH](O)[CH](O)[CH]2O;CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl","InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1","","2001-09-18","2011-06-04","methyl 7-chloro-6,7,8-trideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside",""],["VK2","4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile","C24 H22 N8 O","CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5c(C)nn(C)c5C#N;Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C","InChI=1S/C24H22N8O/c1-15-11-18(22-16(2)29-31(4)20(22)12-25)6-7-19(15)23-27-28-24(33-23)30(3)13-17-5-8-21-26-9-10-32(21)14-17/h5-11,14H,13H2,1-4H3","","2021-05-20","2021-09-10","4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile","2021-09-15"],["CLZ","5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE","C8 H8 Cl N5","Nc1nc(N)nc2ccc(N)c(Cl)c21;Nc1nc(N)c2c(Cl)c(N)ccc2n1;c1cc2c(c(c1N)Cl)c(nc(n2)N)N","InChI=1S/C8H8ClN5/c9-6-3(10)1-2-4-5(6)7(11)14-8(12)13-4/h1-2H,10H2,(H4,11,12,13,14)","","2002-07-19","2023-08-14","5-chloroquinazoline-2,4,6-triamine",""],["VK3","MENADIONE","C11 H8 O2","O=C2c1c(cccc1)C(=O)C(=C2)C;CC1=CC(=O)c2ccccc2C1=O;CC1=CC(=O)c2ccccc2C1=O","InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3","VITAMIN K3; 2-METHYL-1,4-NAPHTHALENEDIONE","1999-07-08","2020-06-17","2-methylnaphthalene-1,4-dione",""],["CM","CARBOXYMETHYL GROUP","C2 H4 O2","O=C(O)C;CC(O)=O;CC(=O)O","InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H","","1999-07-08","2008-10-14","acetic acid",""],["VK4","(4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid","C30 H36 Cl2 N2 O5","c1(cc(Cl)cc(c1Cl)OC2CC(N(CC2)C(C3CCCC3)=O)C)NC(=O)CC(c4ccccc4)CCC(O)=O;C[CH]1C[CH](CCN1C(=O)C2CCCC2)Oc3cc(Cl)cc(NC(=O)C[CH](CCC(O)=O)c4ccccc4)c3Cl;CC1CC(CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)CC(CCC(=O)O)c4ccccc4)Cl","InChI=1S/C30H36Cl2N2O5/c1-19-15-24(13-14-34(19)30(38)21-9-5-6-10-21)39-26-18-23(31)17-25(29(26)32)33-27(35)16-22(11-12-28(36)37)20-7-3-2-4-8-20/h2-4,7-8,17-19,21-22,24H,5-6,9-16H2,1H3,(H,33,35)(H,36,37)/t19-,22-,24-/m1/s1","","2020-08-19","2021-01-29","(4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid","2021-02-03"],["CM0","5-(CARBOXYMETHOXY) URIDINE-5'-MONOPHOSPHATE","C11 H15 N2 O12 P","O=C(O)COC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(OCC(O)=O)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)OCC(=O)O","InChI=1S/C11H15N2O12P/c14-6(15)3-23-4-1-13(11(19)12-9(4)18)10-8(17)7(16)5(25-10)2-24-26(20,21)22/h1,5,7-8,10,16-17H,2-3H2,(H,14,15)(H,12,18,19)(H2,20,21,22)/t5-,7-,8-,10-/m1/s1","","2007-03-21","2011-06-04","5-(carboxymethoxy)uridine 5'-(dihydrogen phosphate)",""],["CM1","CARBOXYMYCOBACTIN S","C36 H51 Fe N5 O12","O=C3N4O[Fe]65Oc1ccccc1C=2OCC(N=2)C(=O)NC(C(=O)OC(C)CC(O)NC3CCCC4)CCCCN(O5)C(O6)C=C/CCCCCCC(=O)O;C[CH]1C[CH](O)N[CH]2CCCCN(O[Fe]34O[CH](C=CCCCCCCC(O)=O)N(CCCC[CH](NC(=O)[CH]5COC(=N5)c6ccccc6O3)C(=O)O1)O4)C2=O;CC1CC(NC2CCCCN(C2=O)O[Fe]34Oc5ccccc5C6=NC(CO6)C(=O)NC(CCCCN(O3)C(O4)C=CCCCCCCC(=O)O)C(=O)O1)O","InChI=1S/C36H52N5O12.Fe/c1-24(22-30(43)37-26-15-10-13-21-41(51)35(26)48)53-36(49)27(38-33(47)28-23-52-34(39-28)25-14-8-9-17-29(25)42)16-11-12-20-40(50)31(44)18-6-4-2-3-5-7-19-32(45)46;/h6,8-9,14,17-18,24,26-28,30-31,37,42-43H,2-5,7,10-13,15-16,19-23H2,1H3,(H,38,47)(H,45,46);/q-3;+4/p-1/b18-6-;/t24-,26-,27-,28-,30?,31-;/m0./s1","","2004-08-30","2011-06-04","[(8Z,10S)-10-(hydroxy-kappaO)-10-[(hydroxy-kappaO){(5S)-6-{[(1S,3S)-3-hydroxy-3-{[(3S)-1-(hydroxy-kappaO)-2-oxoazepan-3-yl]amino}-1-methylpropyl]oxy}-5-[({(4S)-2-[2-(hydroxy-kappaO)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-oxohexyl}amino]dec-8-enoato(4-)]iron",""],["VK5","~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine","C32 H35 N9 O","CN(C)Cc1ccc(cc1)c2cnc3ccc(CN(C)c4oc(nn4)c5ncc(cc5C)c6c(C)nn(C)c6C)cn23;Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C","InChI=1S/C32H35N9O/c1-20-14-26(29-21(2)37-40(7)22(29)3)15-34-30(20)31-35-36-32(42-31)39(6)18-24-10-13-28-33-16-27(41(28)19-24)25-11-8-23(9-12-25)17-38(4)5/h8-16,19H,17-18H2,1-7H3","","2021-05-20","2021-09-10","~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine","2021-09-15"],["VK6","2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid","C16 H17 N3 O6 S2","ON1C(=CSC1=NC(=O)[CH]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O;c1ccc(cc1)S(=O)(=O)N2CCC(C2)C(=O)N=C3N(C(=CS3)CC(=O)O)O","InChI=1S/C16H17N3O6S2/c20-14(21)8-12-10-26-16(19(12)23)17-15(22)11-6-7-18(9-11)27(24,25)13-4-2-1-3-5-13/h1-5,10-11,23H,6-9H2,(H,20,21)/b17-16-/t11-/m1/s1","","2023-07-27","2023-12-08","2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid","2023-12-13"],["CM2","CARBOXYMYCOBACTIN T","C35 H49 Fe N5 O12","O=C2N3O[Fe]54Oc1ccccc1C6OCC(C(=O)NC(C(=O)OCCC(=O)NC2CCCC3)CCCCN(O4)C(O5)C=C/CCCCCCC(=O)O)N6;OC(=O)CCCCCCC=C[CH]1O[Fe]23ON1CCCC[CH](NC(=O)[CH]4CO[CH](N4)c5ccccc5O2)C(=O)OCCC(=O)N[CH]6CCCCN(O3)C6=O;c1ccc2c(c1)C3NC(CO3)C(=O)NC4CCCCN5C(O[Fe](O2)(O5)ON6CCCCC(C6=O)NC(=O)CCOC4=O)C=CCCCCCCC(=O)O","InChI=1S/C35H50N5O12.Fe/c41-28-16-8-7-13-24(28)33-38-27(23-52-33)32(46)37-26(35(48)51-22-19-29(42)36-25-14-9-12-21-40(50)34(25)47)15-10-11-20-39(49)30(43)17-5-3-1-2-4-6-18-31(44)45;/h5,7-8,13,16-17,25-27,30,33,38,41H,1-4,6,9-12,14-15,18-23H2,(H,36,42)(H,37,46)(H,44,45);/q-3;+4/p-1/b17-5-;/t25-,26-,27-,30-,33?;/m0./s1","","2004-08-30","2011-06-04","[(8Z,10S)-10-(hydroxy-kappaO)-10-[(hydroxy-kappaO){(5S)-6-(3-{[(3S)-1-(hydroxy-kappaO)-2-oxoazepan-3-yl]amino}-3-oxopropoxy)-5-[({(2S,4S)-2-[2-(hydroxy-kappaO)phenyl]-1,3-oxazolidin-4-yl}carbonyl)amino]-6-oxohexyl}amino]dec-8-enoato(4-)]iron",""],["VK7","trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid","C30 H26 F8 N2 O5 S","c2(c(C(C(F)(F)F)(C(F)(F)F)F)cc1CCC4C(c1c2)(S(c3ccc(cc3)F)(=O)=O)CCN4C(=O)C5CCC(CC5)C(=O)O)C#N;OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(c(cc34)C#N)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5;c1cc(ccc1F)S(=O)(=O)C23CCN(C2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O","InChI=1S/C30H26F8N2O5S/c31-20-6-8-21(9-7-20)46(44,45)27-11-12-40(25(41)16-1-3-17(4-2-16)26(42)43)24(27)10-5-18-13-23(19(15-39)14-22(18)27)28(32,29(33,34)35)30(36,37)38/h6-9,13-14,16-17,24H,1-5,10-12H2,(H,42,43)/t16-,17-,24-,27-/m1/s1","","2020-08-19","2020-09-11","trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid","2020-09-16"],["CM3","(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL","C29 H32 F N O4","Fc5c(O)ccc4OC(c2ccc(OCCN1CCCCC1)cc2)C(c3ccc(O)cc3)C(c45)C;C[CH]1[CH]([CH](Oc2ccc(O)c(F)c12)c3ccc(OCCN4CCCCC4)cc3)c5ccc(O)cc5;CC1c2c(ccc(c2F)O)OC(C1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5","InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1","","2005-01-19","2011-06-04","(2R,3R,4S)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol",""],["VK8","6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one","C25 H20 N4 O3","Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1;c1ccc(cc1)CC2=NC(=CN3C2=NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O","InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2","","2021-05-21","2022-05-27","6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one","2022-06-01"],["CM4","(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL","C28 H31 N O4","Oc1ccc(cc1)C4C(c5c(OC4c3ccc(OCCN2CCCC2)cc3)ccc(O)c5)C;C[CH]1[CH]([CH](Oc2ccc(O)cc12)c3ccc(OCCN4CCCC4)cc3)c5ccc(O)cc5;CC1c2cc(ccc2OC(C1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O","InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/m1/s1","","2005-01-19","2011-06-04","(2R,3R,4S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol",""],["CM5","5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE","C23 H42 O11","O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1","5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE; CYMAL-5","2005-10-27","2020-06-17","5-cyclohexylpentyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["VK9","~{N}-[3-[2-(6-aminopurin-9-yl)ethanoylamino]propyl]-5-[(3~{R})-1,2-dithiolan-3-yl]pentanamide","C18 H27 N7 O2 S2","Nc1ncnc2n(CC(=O)NCCCNC(=O)CCCC[CH]3CCSS3)cnc12;c1nc(c2c(n1)n(cn2)CC(=O)NCCCNC(=O)CCCCC3CCSS3)N","InChI=1S/C18H27N7O2S2/c19-17-16-18(23-11-22-17)25(12-24-16)10-15(27)21-8-3-7-20-14(26)5-2-1-4-13-6-9-28-29-13/h11-13H,1-10H2,(H,20,26)(H,21,27)(H2,19,22,23)/t13-/m1/s1","","2023-03-09","2023-06-02","~{N}-[3-[2-(6-aminopurin-9-yl)ethanoylamino]propyl]-5-[(3~{R})-1,2-dithiolan-3-yl]pentanamide","2023-06-07"],["VKA","3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","C64 H84 F3 N11 O7 S","c1(c(ncs1)C)c2ccc(cc2)CNC(=O)C8N(C(=O)C(C(C)(C)C)NC(CCCCCCCCCC(NCCN7CCN(Cc6cc(c5cc(NC(C=3C=NC(=O)CC=3C(F)(F)F)=O)c(N4CCN(CC4)C)cc5)ccc6)CC7)=O)=O)CC(C8)O;CN1CCN(CC1)c2ccc(cc2NC(=O)C3=C(CC(=O)N=C3)C(F)(F)F)c4cccc(CN5CCN(CCNC(=O)CCCCCCCCCC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)CC5)c4;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O","InChI=1S/C64H84F3N11O7S/c1-43-58(86-42-71-43)46-20-18-44(19-21-46)38-70-61(84)54-36-49(79)41-78(54)62(85)59(63(2,3)4)73-56(81)17-12-10-8-6-7-9-11-16-55(80)68-24-25-75-28-30-76(31-29-75)40-45-14-13-15-47(34-45)48-22-23-53(77-32-26-74(5)27-33-77)52(35-48)72-60(83)50-39-69-57(82)37-51(50)64(65,66)67/h13-15,18-23,34-35,39,42,49,54,59,79H,6-12,16-17,24-33,36-38,40-41H2,1-5H3,(H,68,80)(H,70,84)(H,72,83)(H,73,81)/t49-,54+,59-/m1/s1","Protac MS33","2020-08-20","2021-10-01","3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","2021-10-06"],["CM6","(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE","C19 H15 N5 O3 S2","O=C(Nc1ccncc1)C(c2ccccc2)NS(=O)(=O)c3cccc4nsnc34;O=C(Nc1ccncc1)[CH](N[S](=O)(=O)c2cccc3nsnc23)c4ccccc4;c1ccc(cc1)C(C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4","InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)/t17-/m0/s1","","2006-03-17","2011-06-04","(2S)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylethanamide",""],["VKB","4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol","C17 H15 N3 O","Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3;c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)N","InChI=1S/C17H15N3O/c18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13/h1-9,11,21H,10H2,(H2,18,19)","","2021-05-24","2022-05-27","4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol","2022-06-01"],["CM7","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide","C32 H35 F3 N4 O4 S","FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)c3cc4c2n(cc(c2c3)CC)CCS(=O)(=O)N4C)Cc5ccccc5;CCc1cn2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(c5)C(F)(F)F;CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)C(F)(F)F)O","InChI=1S/C32H35F3N4O4S/c1-3-23-20-39-12-13-44(42,43)38(2)28-17-24(16-26(23)30(28)39)31(41)37-27(15-21-8-5-4-6-9-21)29(40)19-36-18-22-10-7-11-25(14-22)32(33,34)35/h4-11,14,16-17,20,27,29,36,40H,3,12-13,15,18-19H2,1-2H3,(H,37,41)/t27-,29+/m0/s1","","2008-02-05","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide",""],["VKC","(2-hydroxyethoxy)acetic acid","C4 H8 O4","[O-]C(=O)COCCO;OCCOCC(O)=O;C(COCC(=O)O)O","InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1","","2013-10-29","2024-09-27","(2-hydroxyethoxy)acetate","2014-01-22"],["CM8","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide","C31 H37 F3 N4 O4 S","O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNCc2cccc(c2)C(F)(F)F)cc(NCC)c3)CCCC4;CCNc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(c3)C(F)(F)F)N4CCCC[S]4(=O)=O;CCNc1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)C(F)(F)F)O","InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1","","2008-02-05","2011-06-04","N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide",""],["CM9","CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE","C18 H27 N3 O2 S","O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)CCSC;CSCC[CH](NC(=O)[CH]1CC[CH](C)CC1)C(=O)Nc2ccncc2;CC1CCC(CC1)C(=O)NC(CCSC)C(=O)Nc2ccncc2","InChI=1S/C18H27N3O2S/c1-13-3-5-14(6-4-13)17(22)21-16(9-12-24-2)18(23)20-15-7-10-19-11-8-15/h7-8,10-11,13-14,16H,3-6,9,12H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,14+,16-/m0/s1","","2008-08-12","2011-06-04","cis-4-methyl-N-[(1S)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide",""],["VKD","Cobimetinib","C21 H21 F3 I N3 O2","C1CCCNC1C4(CN(C(c2c(c(c(cc2)F)F)Nc3ccc(I)cc3F)=O)C4)O;OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[CH]4CCCCN4;c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(C4CCCCN4)O","InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m1/s1","{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone","2020-08-21","2021-03-13","{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone","2020-09-30"],["VKE","[(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid","C11 H9 O7 P","C(P(=O)(O)O)C1=CC(=O)Oc2c1cc3c(c2)OCO3;O[P](O)(=O)CC1=CC(=O)Oc2cc3OCOc3cc12;c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O","InChI=1S/C11H9O7P/c12-11-1-6(4-19(13,14)15)7-2-9-10(17-5-16-9)3-8(7)18-11/h1-3H,4-5H2,(H2,13,14,15)","","2018-04-17","2019-04-12","[(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid","2019-04-17"],["CMA","N2-(CARBOXYETHYL)-L-ARGININE","C9 H18 N4 O4","O=C(O)CCNC(C(=O)O)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NCCC(O)=O)C(O)=O;C(CC(C(=O)O)NCCC(=O)O)CNC(=N)N","InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1","","2001-07-30","2011-06-04","N~2~-(2-carboxyethyl)-L-arginine",""],["VKF","4-(difluoromethyl)benzoic acid","C8 H6 F2 O2","FC(F)c1ccc(cc1)C(=O)O;OC(=O)c1ccc(cc1)C(F)F;c1cc(ccc1C(F)F)C(=O)O","InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)","","2022-08-29","2022-10-28","4-(difluoromethyl)benzoic acid","2022-11-02"],["CMB","1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide","C25 H22 Cl2 N4 O","Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc4cc(Cl)cc(Cl)c4;Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl","InChI=1S/C25H22Cl2N4O/c1-15-4-2-7-22-21(15)12-23(25(32)30-13-17-9-19(26)11-20(27)10-17)31(22)14-16-5-3-6-18(8-16)24(28)29/h2-12H,13-14H2,1H3,(H3,28,29)(H,30,32)","","2002-05-15","2011-06-04","1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichlorophenyl)methyl]-4-methyl-indole-2-carboxamide",""],["VKG","N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide","C25 H24 F I N6 O5 S","CNS(Nc1cccc(c1)N5C(N(C2CC2)C(C=3C5=C(C(=O)N(C=3Nc4ccc(I)cc4F)C)C)=O)=O)(=O)=O;CN[S](=O)(=O)Nc1cccc(c1)N2C(=O)N(C3CC3)C(=O)C4=C(Nc5ccc(I)cc5F)N(C)C(=O)C(=C24)C;CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5","InChI=1S/C25H24FIN6O5S/c1-13-21-20(22(31(3)23(13)34)29-19-10-7-14(27)11-18(19)26)24(35)33(16-8-9-16)25(36)32(21)17-6-4-5-15(12-17)30-39(37,38)28-2/h4-7,10-12,16,28-30H,8-9H2,1-3H3","","2020-08-21","2020-09-25","N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide","2020-09-30"],["CMC","CARBOXYMETHYL COENZYME *A","C23 H38 N7 O18 P3 S","O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)O)O","InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1","","1999-07-08","2024-09-27","(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name)",""],["VKH","(1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","C7 H16 N O4","[NH3+][CH]1C[CH](O)[CH](O)[CH](O)[CH]1CO;C1C(C(C(C(C1O)O)O)CO)[NH3+]","InChI=1S/C7H15NO4/c8-4-1-5(10)7(12)6(11)3(4)2-9/h3-7,9-12H,1-2,8H2/p+1/t3-,4-,5+,6+,7+/m0/s1","","2021-05-25","2024-09-27","[(1~{S},2~{R},3~{R},4~{R},5~{R})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]azanium","2022-02-02"],["CMD","3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN","C32 H34 N2 O12","N#CC6N(C5C(O)C(OC(OC4c3c(O)c2C(=O)c1c(OC)cccc1C(=O)c2c(O)c3CC(O)(C(=O)CO)C4)C5)C)CCOC6;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH]([CH](O)[CH](C)O5)N6CCOC[CH]6C#N)c4c(O)c3C(=O)c12)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O","InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15-,18-,20-,22-,27+,32-/m0/s1","","1999-07-08","2011-06-04","(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",""],["CME","S,S-(2-HYDROXYETHYL)THIOCYSTEINE","C5 H11 N O3 S2","O=C(O)C(N)CSSCCO;N[CH](CSSCCO)C(O)=O;C(CSSCC(C(=O)O)N)O","InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","3-[(2-hydroxyethyl)disulfanyl]-L-alanine",""],["VKI","3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium","C45 H55 N6 O7 S2","O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1;COc1ccc(cc1)c2ccc3N(C)C=CC(=Cc4sc5ccccc5[n+]4CC(=O)NCCOCCOCCOCCNC(=O)CCCCC6SCC7NC(=O)NC67)c3c2;CN1C=CC(=Cc2[n+](c3ccccc3s2)CC(=O)NCCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)c6c1ccc(c6)c7ccc(cc7)OC","InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1","","2023-09-13","2024-03-22","3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium","2024-03-27"],["VKJ","2'-deoxy-N-[(7R,8S,9R,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate)","C30 H28 N5 O10 P","O=P(O)(O)OCC8OC(n7cnc6c7N=C(NC3c2c5c1c4c(ccc1cc2C(O)C(O)C3O)cccc4cc5)NC6=O)CC8O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N[CH]4[CH](O)[CH](O)[CH](O)c5cc6ccc7cccc8ccc(c45)c6c78;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C(C(C(C4O)O)O)NC6=Nc7c(ncn7C8CC(C(O8)COP(=O)(O)O)O)C(=O)N6","InChI=1S/C30H28N5O10P/c36-17-9-19(45-18(17)10-44-46(41,42)43)35-11-31-24-28(35)33-30(34-29(24)40)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(37)27(39)26(23)38/h1-8,11,17-19,23,25-27,36-39H,9-10H2,(H2,41,42,43)(H2,32,33,34,40)/t17-,18+,19+,23-,25+,26+,27-/m0/s1","","2014-08-27","2016-01-22","2'-deoxy-N-[(7R,8S,9R,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate)","2016-01-27"],["CMF","3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID","C27 H30 N2 O4","O=C(N1CCOCC1)Cn4c2cc(C(=O)O)ccc2c(c4c3ccccc3)C5CCCCC5;OC(=O)c1ccc2c(c1)n(CC(=O)N3CCOCC3)c(c4ccccc4)c2C5CCCCC5;c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5","InChI=1S/C27H30N2O4/c30-24(28-13-15-33-16-14-28)18-29-23-17-21(27(31)32)11-12-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H,31,32)","","2005-05-06","2011-06-04","3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid",""],["VKK","p-coumaroyl glucose","C15 H18 O8","OC[CH]1O[CH](OC(=O)C=Cc2ccc(O)cc2)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate","2021-05-25","2022-04-01","[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate","2022-04-06"],["CMG","6-O-CYCLOHEXYLMETHYL GUANINE","C12 H17 N5 O","n2c1c(ncn1)c(nc2N)OCC3CCCCC3;Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1;c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3","InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)","","2000-05-11","2011-06-04","6-(cyclohexylmethoxy)-9H-purin-2-amine",""],["CMH","S-(METHYLMERCURY)-L-CYSTEINE","C4 H9 Hg N O2 S","O=C(O)C(N)CS[Hg]C;C[Hg]SC[CH](N)C(O)=O;C[Hg]SCC(C(=O)O)N","InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H3;/q;;+1/p-1/t2-;;/m0../s1","","2004-10-29","2024-09-27","(L-cysteinato-kappaS~3~)(methyl)mercury",""],["VKL","3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene","C12 H12 F2 N4","C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3;C[n+]1c2[n+](cc(n1)c3ccc(c(c3)F)F)CCN2","InChI=1S/C12H11F2N4/c1-17-12-15-4-5-18(12)7-11(16-17)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3/q+1/p+1","","2023-03-09","2024-09-27","3-[3,4-bis(fluoranyl)phenyl]-1-methyl-7,8-dihydro-6~{H}-imidazo[2,1-c][1,2,4]triazine-1,5-diium","2023-05-24"],["VKM","1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one","C19 H17 F N6 O3","Cn5c4C(N(Cc3nc(C2CC(c1ccc(cc1)F)OC2)no3)C=Nc4nc5)=O;Cn1cnc2N=CN(Cc3onc(n3)[CH]4CO[CH](C4)c5ccc(F)cc5)C(=O)c12;Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)C4CC(OC4)c5ccc(cc5)F","InChI=1S/C19H17FN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1","","2020-08-21","2021-03-26","1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one","2021-03-31"],["CMI","1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE","C27 H28 N4 O","O=C(NCc1cc(cc(c1)C)C)c3cc2c(cccc2n3Cc4cc(C(=[N@H])N)ccc4)C;Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc4cccc(c4)C(N)=N)c1;[H]N=C(c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)N","InChI=1S/C27H28N4O/c1-17-10-18(2)12-21(11-17)15-30-27(32)25-14-23-19(3)6-4-9-24(23)31(25)16-20-7-5-8-22(13-20)26(28)29/h4-14H,15-16H2,1-3H3,(H3,28,29)(H,30,32)","","2002-05-16","2011-06-04","1-(3-carbamimidoylbenzyl)-N-(3,5-dimethylbenzyl)-4-methyl-1H-indole-2-carboxamide",""],["VKN","(1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol","C7 H14 O6","OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1","","2021-05-25","2026-04-02","(1~{R},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol","2022-02-02"],["CMJ","(20S)-20-methyldotetracontane","C43 H88","C(CCCCCCCC(C)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCC","InChI=1S/C43H88/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-42-43(3)41-39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1","","2008-12-31","2011-06-04","20-methyldotetracontane",""],["VKO","1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid","C13 H15 N O3","O=C(O)C1(CC1)C(=O)NCc1ccccc1C;Cc1ccccc1CNC(=O)C2(CC2)C(O)=O;Cc1ccccc1CNC(=O)C2(CC2)C(=O)O","InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)","","2022-08-29","2022-10-28","1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid","2022-11-02"],["CMK","CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID","C17 H26 N3 O15 P","O=C(O)C1(OC(C(O)CO)C(O)C(O)C1)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[C]3(C[CH](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O)[CH]2O;C1C(C(C(OC1(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)C(CO)O)O)O","InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1","CMP-2-KETO-3-DEOXY-OCTULOSONIC ACID","2001-11-21","2020-06-17","(2R,4R,5R,6R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["CML","(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid","C7 H11 N O6 S","O=C(O)C(N)CSC(C(=O)O)CC(=O)O;N[CH](CS[CH](CC(O)=O)C(O)=O)C(O)=O;C(C(C(=O)O)SCC(C(=O)O)N)C(=O)O","InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1","","2007-10-11","2024-09-27","(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid",""],["VKP","6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine","C16 H19 Cl2 N5 S","c2(Sc1c(c(ccc1)Cl)Cl)ncc(nc2N)N3CCC(N)(CC3)C;CC1(N)CCN(CC1)c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2;CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N","InChI=1S/C16H19Cl2N5S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(17)13(11)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)","","2020-08-24","2020-09-18","6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine","2020-09-23"],["VKQ","5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide","C23 H27 N5 O2","CCC1=Cc2ccc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O;CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC","InChI=1S/C23H27N5O2/c1-3-17-13-18-5-4-16(12-21(18)26-22(17)29)15-27-8-10-28(11-9-27)19-6-7-20(25-14-19)23(30)24-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,30)(H,26,29)","","2021-05-26","2021-09-10","5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide","2021-09-15"],["CMM","2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER","C30 H35 N5 O6","O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C1)Cc2ccc(cc2)CCc3cccc4c3ncc4C(=O)C(=O)O;COC(=O)[CH](Cc1ccc(CCc2cccc3c2[nH]cc3C(=O)C(O)=O)cc1)NC(=O)C[CH]4CCCN(C4)C(N)=N;[H]N=C(N)N1CCCC(C1)CC(=O)NC(Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC","InChI=1S/C30H35N5O6/c1-41-29(40)24(34-25(36)15-20-4-3-13-35(17-20)30(31)32)14-19-9-7-18(8-10-19)11-12-21-5-2-6-22-23(16-33-26(21)22)27(37)28(38)39/h2,5-10,16,20,24,33H,3-4,11-15,17H2,1H3,(H3,31,32)(H,34,36)(H,38,39)/t20-,24+/m1/s1","","2002-07-23","2011-06-04","[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid",""],["VKS","(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine","C18 H24 Cl N7 O S","c1cc(c(c(N)n1)Cl)Sc2ncc(nc2N)N4CCC3(C(C(OC3)C)N)CC4;C[CH]1OCC2(CCN(CC2)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[CH]1N;CC1C(C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N","InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1","","2020-08-24","2020-09-18","(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine","2020-09-23"],["CMN","(1R,2R,3S,6R)-6-AMINO-4-(HYDROXYMETHYL)CYCLOHEX-4-ENE-1,2,3-TRIOL","C7 H13 N O4","OC1C(=CC(N)C(O)C1O)CO;N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O;C1=C(C(C(C(C1N)O)O)O)CO","InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1","","2000-06-30","2008-10-14","(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",""],["VKT","7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one","C21 H27 N5 O","CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O;CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C","InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27)","","2021-05-26","2021-09-10","7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one","2021-09-15"],["CMO","CARBON MONOXIDE","C O","[O+]#[C-];[C-]#[O+];[C-]#[O+]","InChI=1S/CO/c1-2","","1999-07-08","2011-06-04","carbon monooxide",""],["CMP","ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE","C10 H12 N5 O6 P","O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O;Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N","InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1","CYCLIC AMP; CAMP","1999-07-08","2020-05-28","(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide",""],["VKV","2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol","C23 H40 O3","C(CO)(OCCCCC=C/CC=C/C/C=CC/C=CCCCCC)CO;CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO;CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO","InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-","2-Arachidonyl Glycerol Ether","2020-08-24","2021-03-05","2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol","2021-03-10"],["VKW","8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one","C20 H25 Cl N6 O","Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2;Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3","InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28)","","2021-05-26","2021-09-10","8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one","2021-09-15"],["CMQ","N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE","C24 H32 N2 O5","O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccc(O)cc2)C(O)C)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccc(O)cc2)[CH](C)O;CC(C)CC(C(=O)NC(Cc1ccc(cc1)O)C(C)O)NC(=O)OCc2ccccc2","InChI=1S/C24H32N2O5/c1-16(2)13-22(26-24(30)31-15-19-7-5-4-6-8-19)23(29)25-21(17(3)27)14-18-9-11-20(28)12-10-18/h4-12,16-17,21-22,27-28H,13-15H2,1-3H3,(H,25,29)(H,26,30)/t17-,21-,22-/m0/s1","","2006-02-16","2024-09-27","N~2~-[(benzyloxy)carbonyl]-N-[(1S,2S)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-L-leucinamide",""],["VKX","(5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one","C13 H16 N2 O","O=C1CCC2(NCCCN12)c1ccccc1;O=C1CC[C]2(NCCCN12)c3ccccc3;c1ccc(cc1)C23CCC(=O)N2CCCN3","InChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2/t13-/m0/s1","","2022-08-29","2022-10-28","(5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one","2022-11-02"],["CMR","2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE","C10 H16 N3 O6 P","O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)C;C[P](O)(=O)OC[CH]1O[CH](C[CH]1O)N2C=CC(=NC2=O)N;CP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O","InChI=1S/C10H16N3O6P/c1-20(16,17)18-5-7-6(14)4-9(19-7)13-3-2-8(11)12-10(13)15/h2-3,6-7,9,14H,4-5H2,1H3,(H,16,17)(H2,11,12,15)/t6-,7+,9+/m0/s1","","2001-10-09","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]cytidine",""],["VKZ","4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide","C24 H30 Cl Ir N4 O3 S","CC1C(C)C(C)C(C)C1C.Nc2cc[n+]3[Ir](Cl)N(CCc4ccc(cc4)[S](N)(=O)=O)C(=O)c3c2;CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C","InChI=1S/C14H16N4O3S.C10H15.ClH.Ir/c15-11-6-8-17-13(9-11)14(19)18-7-5-10-1-3-12(4-2-10)22(16,20)21;1-6-7(2)9(4)10(5)8(6)3;;/h1-4,6,8-9H,5,7H2,(H5,15,16,17,18,19,20,21);1-5H3;1H;/q;;;+3/p-2","","2021-05-26","2024-09-27","4-[2-(4'-azanyl-1-chloranyl-2,3,4,5,6-pentamethyl-7'-oxidanylidene-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,9'-8-aza-1-azonia-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene]-8'-yl)ethyl]benzenesulfonamide","2021-12-01"],["CMS","CARBAMOYL SARCOSINE","C4 H8 N2 O3","O=C(O)CN(C(=O)N)C;CN(CC(O)=O)C(N)=O;CN(CC(=O)O)C(=O)N","InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)","","1999-07-08","2011-06-04","N-carbamoyl-N-methylglycine",""],["VL0","2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid","C20 H17 N O5 S","OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2;c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)C(=O)O)O","InChI=1S/C20H17NO5S/c22-19-11-10-17(13-18(19)20(23)24)27(25,26)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,21-22H,12H2,(H,23,24)","","2023-09-13","2024-04-05","2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid","2024-04-10"],["CMT","O-METHYLCYSTEINE","C4 H9 N O2 S","O=C(OC)C(N)CS;COC(=O)[CH](N)CS;COC(=O)C(CS)N","InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1","","2000-01-19","2024-09-27","methyl L-cysteinate",""],["VL1","Gedatolisib","C32 H41 N9 O4","C(N1CCC(N(C)C)CC1)(c6ccc(NC(Nc2ccc(cc2)c4nc(N3CCOCC3)nc(n4)N5CCOCC5)=O)cc6)=O;CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2;CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6","InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)","N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea","2020-08-26","2021-03-13","N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea","2021-03-17"],["CMU","5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL","C9 H11 Cl N4 O2","ClC1=C(NC(=O)NC1=O)CN2C(=[N@H])CCC2;ClC1=C(CN2CCCC2=N)NC(=O)NC1=O;[H]N=C1CCCN1CC2=C(C(=O)NC(=O)N2)Cl","InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/b11-6-","5-CHLORO-6-[(2-IMINOPYRROLIDIN-1-YL)METHYL]PYRIMIDINE-2,4(1H,3H)-DIONE","2003-09-23","2021-03-13","5-chloro-6-{[(2Z)-2-iminopyrrolidin-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione",""],["VL2","4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide","C24 H28 Cl Ir N4 O5 S","CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN3[Ir](Cl)[n+]4ccc(cc4C3=O)[N](=O)=O)cc2;CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C","InChI=1S/C14H14N4O5S.C10H15.ClH.Ir/c15-24(22,23)12-3-1-10(2-4-12)5-7-17-14(19)13-9-11(18(20)21)6-8-16-13;1-6-7(2)9(4)10(5)8(6)3;;/h1-4,6,8-9H,5,7H2,(H3,15,17,19,22,23);1-5H3;1H;/q;;;+3/p-2","","2021-05-26","2021-11-26","4-[2-(1-chloranyl-2,3,4,5,6-pentamethyl-4'-nitro-7'-oxidanylidene-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,9'-8-aza-1-azonia-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene]-8'-yl)ethyl]benzenesulfonamide","2021-12-01"],["CMV","(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C22 H29 N5 O6 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)C(=O)N(CC)CC3;CCN1CCN(N[CH](C(=O)N[CH](C=O)[CH]2N[CH](C(O)=O)C(C)(C)S2)c3ccccc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)NC(c2ccccc2)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O","InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(20(31)19(26)30)25-15(13-8-6-5-7-9-13)17(29)23-14(12-28)18-24-16(21(32)33)22(2,3)34-18/h5-9,12,14-16,18,24-25H,4,10-11H2,1-3H3,(H,23,29)(H,32,33)/t14-,15-,16+,18-/m1/s1","","2009-07-02","2024-09-27","(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["VL4","(2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C27 H32 N2 O7","O=C(NCC1CCC1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C27H32N2O7/c1-29(14-18-7-2-3-8-21(18)26(32)28-13-17-5-4-6-17)15-19-9-11-22-25(24(19)27(33)34)35-16-20(36-22)10-12-23(30)31/h2-3,7-9,11,17,20H,4-6,10,12-16H2,1H3,(H,28,32)(H,30,31)(H,33,34)/t20-/m0/s1","","2013-11-11","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclobutylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["CMW","3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate","C16 H19 N3 O4 S","O=C(OCCCNS(=O)(=O)c1ccc(cc1)C)Nc2ccncc2;Cc1ccc(cc1)[S](=O)(=O)NCCCOC(=O)Nc2ccncc2;Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2","InChI=1S/C16H19N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-9-2-12-23-16(20)19-14-7-10-17-11-8-14/h3-8,10-11,18H,2,9,12H2,1H3,(H,17,19,20)","","2008-08-12","2011-06-04","3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate",""],["CMX","CARBOXYMETHYLDETHIA COENZYME *A","C23 H38 N7 O18 P3","O=C(O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCCC(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCC(=O)O)O","InChI=1S/C23H38N7O18P3/c1-23(2,18(35)21(36)26-7-5-13(31)25-6-3-4-14(32)33)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1","","1999-07-08","2011-06-04","(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)",""],["VL5","(2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid","C25 H34 N8 O10 S2","CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O;CC(C)(C(C=O)NC(=O)C(=NOC(COc1ccc(cc1)C(=N)NC2CCCNC2)C(=O)O)c3csc(n3)N)NOS(=O)(=O)O","InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1","AIC499 (bound)","2021-05-27","2024-09-27","(2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid","2021-08-04"],["VL6","(2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C30 H40 N4 O7 S","COCCOCCOc1cc(on1)[CH](C(C)C)C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](C)c3ccc(cc3)c4scnc4C;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCOCCOC)C(C)C)O","InChI=1S/C30H40N4O7S/c1-18(2)27(25-15-26(33-41-25)40-13-12-39-11-10-38-5)30(37)34-16-23(35)14-24(34)29(36)32-19(3)21-6-8-22(9-7-21)28-20(4)31-17-42-28/h6-9,15,17-19,23-24,27,35H,10-14,16H2,1-5H3,(H,32,36)","","2023-09-13","2024-01-12","(2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2024-01-17"],["CMY","(6-AMINOHEXYL)CARBAMIC ACID","C7 H16 N2 O2","O=C(O)NCCCCCCN;NCCCCCCNC(O)=O;C(CCCNC(=O)O)CCN","InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)","","2006-05-16","2011-06-04","(6-aminohexyl)carbamic acid",""],["VL7","1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate","C21 H38 O4","C(CC(=O)OC(CO)CO)CCCCCC=[C@H]CC=C/CCCCC;CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO;CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO","InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-","","2020-08-26","2021-03-05","1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate","2021-03-10"],["CMZ","(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol","C15 H23 N O3","OC(CN1CCOCC1)COc2cc(ccc2C)C;Cc1ccc(C)c(OC[CH](O)CN2CCOCC2)c1;Cc1ccc(c(c1)OCC(CN2CCOCC2)O)C","InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1","(S)-1-(2,5-dimethylphenoxy)-3-morpholinopropan-2-ol","2007-07-16","2020-06-17","(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol",""],["VL8","(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide","C11 H13 Cl2 N O2","Clc1ccc(OC(CC)C(=O)NC)cc1Cl;CC[CH](Oc1ccc(Cl)c(Cl)c1)C(=O)NC;CCC(C(=O)NC)Oc1ccc(c(c1)Cl)Cl","InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1","","2022-08-29","2022-10-28","(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide","2022-11-02"],["CN","CYANIDE","C H N","N#C;C#N;C#N","InChI=1/CHN/c1-2/h1H","","1999-07-08","2008-10-14","hydrocyanic acid",""],["CN0","(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid","C6 H11 N O5","O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O;C1C(C(C(C(N1)C(=O)O)O)O)O","InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5+/m0/s1","","2019-05-09","2020-05-08","(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid","2020-05-13"],["VL9","[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate","C36 H38 Cl2 N3 O7 S","COc1ccc(cc1OC)[CH](Cc2c(Cl)c[n](O)cc2Cl)OC(=O)c3sc(CN[CH](C(=O)O[CH]4CN5CCC4CC5)c6ccccc6)cc3;COc1ccc(cc1OC)C(CC2=C(C=[N](C=C2Cl)O)Cl)OC(=O)c3ccc(s3)CNC(c4ccccc4)C(=O)OC5CN6CCC5CC6","InChI=1S/C36H38Cl2N3O7S/c1-45-29-10-8-24(16-31(29)46-2)30(17-26-27(37)19-41(44)20-28(26)38)47-35(42)33-11-9-25(49-33)18-39-34(23-6-4-3-5-7-23)36(43)48-32-21-40-14-12-22(32)13-15-40/h3-11,16,19-20,22,30,32,34,39,44H,12-15,17-18,21H2,1-2H3/t30-,32-,34+/m0/s1","","2023-03-10","2023-04-21","[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate","2023-04-26"],["VLA","N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid","C20 H23 N7 O5","C(=O)(c3ccc(NCC=2CCc1c(c(nc(N)n1)N)N=2)cc3)NC(CCC(O)=O)C(=O)O;Nc1nc(N)c2N=C(CCc2n1)CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2","InChI=1S/C20H23N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,14,23H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t14-/m0/s1","","2020-08-27","2021-04-16","N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid","2021-04-21"],["CN1","OXO-IRON CLUSTER 2","Fe3 H9 O12","O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1;O[Fe](O)(O)O1O[Fe]1(O)(O)O[Fe](O)(O)(O)O","InChI=1S/3Fe.O2.9H2O.O/c;;;1-2;;;;;;;;;;/h;;;;9*1H2;/q2*+3;+4;-1;;;;;;;;;;/p-9","","2003-10-16","2023-09-23","[(1~{R})-3,3-bis(oxidanyl)-1-[tris(oxidanyl)ferrio]-1$l^{3},2-dioxa-3$l^{5}-ferracycloprop-3-yl]oxy-tetrakis(oxidanyl)iron",""],["VLB","(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE","C46 H58 N4 O9","O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c5c(OC)cc6c(c5)C89C(N6C)C(O)(C(=O)OC)C(OC(=O)C)C7(C=CCN(C78)CC9)CC;CC[C]1(O)C[CH]2CN(CCc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1;CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O","InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1","VINBLASTINE","2005-03-17","2020-06-17","(2alpha,2'beta,3alpha,5beta,19beta)-vincaleukoblastine",""],["CN2","2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE","C22 H25 N O6 S","O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)CS;COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS;COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(CC2)NC(=O)CS)OC","InChI=1S/C22H25NO6S/c1-26-17-8-6-13-14(10-16(17)24)15(23-19(25)11-30)7-5-12-9-18(27-2)21(28-3)22(29-4)20(12)13/h6,8-10,15,30H,5,7,11H2,1-4H3,(H,23,25)/t15-/m0/s1","","2004-03-04","2011-06-04","2-sulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide",""],["VLC","2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol","C24 H28 N6 O3","COCCOc1cc(ccn1)N2[CH]3CC[CH]2CN(C3)c4cc(nnc4N)c5ccccc5O;COCCOc1cc(ccn1)N2C3CCC2CN(C3)c4cc(nnc4N)c5ccccc5O","InChI=1S/C24H28N6O3/c1-32-10-11-33-23-12-16(8-9-26-23)30-17-6-7-18(30)15-29(14-17)21-13-20(27-28-24(21)25)19-4-2-3-5-22(19)31/h2-5,8-9,12-13,17-18,31H,6-7,10-11,14-15H2,1H3,(H2,25,28)/t17-,18+","","2023-09-13","2024-01-12","2-[6-azanyl-5-[(1~{R},5~{S})-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol","2024-01-17"],["CN3","(2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate","C36 H68 O17 P2","O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCC)COC(=O)CC)O)COC(=O)CCCCCCCCCC)CCCCCCCC;CCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CC)OC(=O)CCC)OC(=O)CCCCCCCC;CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC","InChI=1S/C36H68O17P2/c1-5-9-11-13-15-16-18-19-22-34(39)47-27-32(53-36(41)23-20-17-14-12-10-6-2)29-51-55(44,45)49-25-30(37)24-48-54(42,43)50-28-31(26-46-33(38)8-4)52-35(40)21-7-3/h30-32,37H,5-29H2,1-4H3,(H,42,43)(H,44,45)/t30-,31-,32-/m1/s1","CARDIOLIPIN","2008-04-30","2021-03-01","(2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate",""],["CN4","N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide","C30 H32 F3 N3 O3 S","C1C(N2CC(N1)CCCS2(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F;Fc1ccc(cc1)C(CC(=O)Nc2cccc(F)c2CC[CH]3CN[CH]4CCC[S](=O)(=O)[N]3C4)c5ccc(F)cc5;c1cc(c(c(c1)F)CCC2CNC3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F","InChI=1S/C30H32F3N3O3S/c31-22-10-6-20(7-11-22)27(21-8-12-23(32)13-9-21)17-30(37)35-29-5-1-4-28(33)26(29)15-14-25-18-34-24-3-2-16-40(38,39)36(25)19-24/h1,4-13,24-25,27,34H,2-3,14-19H2,(H,35,37)/t24-,25+/m1/s1","","2017-09-27","2017-12-29","N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide","2018-01-03"],["VLD","(2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)","C30 H38 N9 O13 P","N4(C(=O)NC(C(CN2c3c(nc(nc3CCC2CNc1ccc(C(NC(CCC(=O)O)C(=O)O)=O)cc1)N)N)=C4)=O)C5CC(C(COP(=O)(O)O)O5)O;Nc1nc(N)c2N(CC3=CN([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)C(=O)NC3=O)[CH](CCc2n1)CNc5ccc(cc5)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)C5CC(C(O5)COP(=O)(O)O)O","InChI=1S/C30H38N9O13P/c31-25-24-18(35-29(32)36-25)6-5-17(10-33-16-3-1-14(2-4-16)26(43)34-19(28(45)46)7-8-23(41)42)38(24)11-15-12-39(30(47)37-27(15)44)22-9-20(40)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,33,40H,5-11,13H2,(H,34,43)(H,41,42)(H,45,46)(H,37,44,47)(H2,48,49,50)(H4,31,32,35,36)/t17-,19+,20+,21-,22-/m1/s1","","2020-08-27","2021-04-16","(2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)","2021-04-21"],["VLE","1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one","C25 H25 Cl N6 O2","CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1;CCC(=O)N1CCN2c3c4c(cc(c(c4OCCC2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3","InChI=1S/C25H25ClN6O2/c1-3-20(33)31-7-8-32-15(12-31)6-9-34-24-22-19(27-13-28-25(22)32)10-16(23(24)26)21-14(2)4-5-18-17(21)11-29-30-18/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,29,30)/t15-/m0/s1","","2021-05-27","2024-09-27","","2022-04-20"],["CN5","(5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate","C26 H52 O13 P2","O=C(OCCCOP(=O)(OCC(O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OCCCOC(C)=O;CCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(COP(=O)(O)OCCCOC(=O)C)O","InChI=1S/C26H52O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(29)35-19-16-21-37-41(32,33)39-23-25(28)22-38-40(30,31)36-20-15-18-34-24(2)27/h25,28H,3-23H2,1-2H3,(H,30,31)(H,32,33)/t25-/m0/s1","CARDIOLIPIN","2008-04-28","2021-03-01","(5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate",""],["CN6","(2R,5R,11S,14R)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate","C31 H58 O17 P2","O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCC)COC(=O)CCCCCCCCCC)O)COC(=O)CC)CCC;CCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CC)OC(=O)CCC)OC(=O)CCC;CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC","InChI=1S/C31H58O17P2/c1-5-9-10-11-12-13-14-15-18-29(34)42-22-27(48-31(36)17-7-3)24-46-50(39,40)44-20-25(32)19-43-49(37,38)45-23-26(21-41-28(33)8-4)47-30(35)16-6-2/h25-27,32H,5-24H2,1-4H3,(H,37,38)(H,39,40)/t25-,26-,27-/m1/s1","","2008-04-30","2011-06-04","(2R,5R,11S,14R)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate",""],["VLF","4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide","C17 H19 N O4 S","Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO;Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CO","InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1","","2023-03-15","2023-11-24","4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide","2023-11-29"],["VLG","3'-methoxy[1,1'-biphenyl]-4-carboxylic acid","C14 H12 O3","COc1cccc(c1)c2ccc(cc2)C(O)=O;COc1cccc(c1)c2ccc(cc2)C(O)=O;COc1cccc(c1)c2ccc(cc2)C(=O)O","InChI=1S/C14H12O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16)","4-(3'-methoxyphenyl)benzoic acid","2020-08-27","2022-03-04","3'-methoxy[1,1'-biphenyl]-4-carboxylic acid","2022-03-09"],["CN7","7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid","C35 H36 N2 O4","c1ccc(c(c1)C)c2c5c(ccc2)c(CCCOc4cccc3ccccc34)c(C(O)=O)n5CCN6CCOCC6;Cc1ccccc1c2cccc3c(CCCOc4cccc5ccccc45)c(n(CCN6CCOCC6)c23)C(O)=O;Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6","InChI=1S/C35H36N2O4/c1-25-9-2-4-12-27(25)29-14-7-15-30-31(16-8-22-41-32-17-6-11-26-10-3-5-13-28(26)32)34(35(38)39)37(33(29)30)19-18-36-20-23-40-24-21-36/h2-7,9-15,17H,8,16,18-24H2,1H3,(H,38,39)","","2017-09-28","2017-09-29","7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid","2017-10-04"],["VLH","(2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C57 H69 N11 O8 S","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](C)c2ccc(cc2)c3scnc3C)c4onc(OCCN5CC[CH](CC5)O[CH]6C[CH](C6)Oc7cc(ccn7)N8[CH]9CC[CH]8CN(C9)c%10cc(nnc%10N)c%11ccccc%11O)c4;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCN5CCC(CC5)OC6CC(C6)Oc7cc(ccn7)N8C9CCC8CN(C9)c1cc(nnc1N)c1ccccc1O)C(C)C)O","InChI=1S/C57H69N11O8S/c1-33(2)53(57(72)67-31-41(69)24-48(67)56(71)61-34(3)36-9-11-37(12-10-36)54-35(4)60-32-77-54)50-28-52(64-76-50)73-22-21-65-19-16-42(17-20-65)74-43-25-44(26-43)75-51-23-38(15-18-59-51)68-39-13-14-40(68)30-66(29-39)47-27-46(62-63-55(47)58)45-7-5-6-8-49(45)70/h5-12,15,18,23,27-28,32-34,39-44,48,53,69-70H,13-14,16-17,19-22,24-26,29-31H2,1-4H3,(H2,58,63)(H,61,71)/t34-,39?,40?,41+,43-,44-,48+,53+/m0/s1","","2023-09-13","2024-01-12","(2~{S},4~{R})-1-[(2~{R})-2-[3-[2-[4-[3-[4-[(1~{R},5~{S})-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2024-01-17"],["CN8","(4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide","C22 H32 N8 O3 S","O=C(NCC)C3NCC(NC(=O)C(NC)Cc1nnn(c1)CCNC(=O)c2ccc(S)cc2)C3;CCNC(=O)[CH]1C[CH](CN1)NC(=O)[CH](Cc2cn(CCNC(=O)c3ccc(S)cc3)nn2)NC;CCNC(=O)C1CC(CN1)NC(=O)C(Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC","InChI=1S/C22H32N8O3S/c1-3-24-21(32)19-10-15(12-26-19)27-22(33)18(23-2)11-16-13-30(29-28-16)9-8-25-20(31)14-4-6-17(34)7-5-14/h4-7,13,15,18-19,23,26,34H,3,8-12H2,1-2H3,(H,24,32)(H,25,31)(H,27,33)/t15-,18-,19-/m0/s1","","2014-02-04","2014-10-03","(4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide","2014-10-08"],["VLI","(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one","C10 H8 F3 N O2","FC(F)(F)C1(O)c2ccc(C)cc2NC1=O;Cc1ccc2c(NC(=O)[C]2(O)C(F)(F)F)c1;Cc1ccc2c(c1)NC(=O)C2(C(F)(F)F)O","InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1","","2022-08-29","2022-10-28","(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one","2022-11-02"],["CN9","1-methyl-9H-pyrido[3,4-b]indole","C12 H10 N2","Cc1nccc2c3ccccc3[NH]c21;Cc1nccc2c1[nH]c3ccccc23;Cc1c2c(ccn1)c3ccccc3[nH]2","InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","harmane","2021-11-22","2022-02-25","1-methyl-9H-pyrido[3,4-b]indole","2022-03-02"],["VLK","(2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide","C19 H35 N3 O4 S","CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS;CCCCCC(CN(C=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1CS","InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1","","2023-03-15","2023-12-22","(2~{R})-2-[[methanoyl(oxidanyl)amino]methyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide","2023-12-27"],["CNA","CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE","C22 H30 N7 O13 P2","O=C(N)c1ccc[n+](c1)C2CC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O;NC(=O)c1ccc[n+](c1)[CH]2C[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(c[n+](c1)C2CC(C(C2O)O)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C(=O)N","InChI=1S/C22H29N7O13P2/c23-19-14-21(26-8-25-19)29(9-27-14)22-18(33)17(32)13(41-22)7-40-44(37,38)42-43(35,36)39-6-11-4-12(16(31)15(11)30)28-3-1-2-10(5-28)20(24)34/h1-3,5,8-9,11-13,15-18,22,30-33H,4,6-7H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t11-,12-,13-,15-,16+,17-,18-,22-/m1/s1","","1999-07-08","2013-06-06","5'-O-[(S)-{[(S)-{[(1R,2R,3S,4R)-4-(3-carbamoylpyridinium-1-yl)-2,3-dihydroxycyclopentyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine",""],["VLL","(2S)-2,3-DIAMINOBUTANOIC ACID","C4 H10 N2 O2","O=C(O)C(N)C(N)C;C[CH](N)[CH](N)C(O)=O;CC(C(C(=O)O)N)N","InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1","L-THREO-2,3-DIAMINO-BUTYRIC ACID","2004-07-16","2024-09-27","(2S,3R)-2,3-diaminobutanoic acid",""],["CNB","OXO-IRON CLUSTER 1","Fe3 H8 O11","O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1;O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O","InChI=1S/3Fe.8H2O.3O/h;;;8*1H2;;;/q+2;2*+3;;;;;;;;;;;/p-8","","2003-10-16","2011-06-04","2,2,2,4,4,4,6,6-octahydroxy-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{4}-triferracyclohexane",""],["CNC","CYANOCOBALAMIN","C63 H89 Co N14 O14 P","NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O;C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N]([Co++]C#N)C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]3CCC(N)=O)O[P](O)(=O)O[CH]6[CH](O)[CH](O[CH]6CO)n7cnc8cc(C)c(C)cc78;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+3/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1","","1999-07-08","2024-09-27","(cyanido-kappaC)[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]cobalt(2+) (non-preferred name)",""],["VLM","VALINYLAMINE","C5 H12 N2 O","O=C(N)C(N)C(C)C;CC(C)[CH](N)C(N)=O;CC(C)C(C(=O)N)N","InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","L-valinamide",""],["VLN","(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol","C6 H14 N2 O3","NC[CH]1N[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(N1)CO)O)O)N","InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6+/m1/s1","","2023-07-28","2024-04-05","(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol","2024-04-10"],["CND","5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE","C21 H27 N7 O14 P2","NC(=O)c1c[nH+]cc(c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1c(c[nH+]cc1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C21H27N7O14P2/c22-18-12-20(26-6-25-18)28(7-27-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-1-9(19(23)33)3-24-2-8/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,25,26)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1","","1999-07-08","2012-01-05","[(2R,3S,4R,5S)-5-(5-aminocarbonylpyridin-1-ium-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",""],["VLO","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C20 H27 N9 O21 P4","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC=Nc56;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(NC6=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N=CNC2=O","InChI=1S/C20H27N9O21P4/c21-20-26-15-9(17(34)27-20)25-5-29(15)19-13(11(31)7(47-19)2-45-53(40,41)50-54(42,43)49-51(35,36)37)48-52(38,39)44-1-6-10(30)12(32)18(46-6)28-4-24-8-14(28)22-3-23-16(8)33/h3-7,10-13,18-19,30-32H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H,22,23,33)(H2,35,36,37)(H3,21,26,27,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1","","2022-08-30","2023-10-20","[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-10-25"],["CNE","(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID","C31 H36 Cl F N2 O8 S","Clc1cccc(F)c1CSCC(=O)C(NC(=O)C(NC(=O)Cc2cc(C=CC(=O)OC)ccc2OCC)C(C)C)CC(=O)O;CCOc1ccc(C=CC(=O)OC)cc1CC(=O)N[CH](C(C)C)C(=O)N[CH](CC(O)=O)C(=O)CSCc2c(F)cccc2Cl;CCOc1ccc(cc1CC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)C=CC(=O)OC","InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1","","2003-11-24","2024-09-27","(3S)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetyl)-L-valyl]amino}-4-oxopentanoic acid",""],["VLP","1,3-dihydroxypropan-2-yl hexadecanoate","C19 H38 O4","C(CCCCCCC(OC(CO)CO)=O)CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC(CO)CO;CCCCCCCCCCCCCCCC(=O)OC(CO)CO","InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3","","2020-08-27","2021-03-05","1,3-dihydroxypropan-2-yl hexadecanoate","2021-03-10"],["CNF","OXO-IRON CLUSTER 3","Fe3 H9 O12","O[Fe](O)(O)O[Fe]1(O)(O)O[Fe](O)(O)(O)(O)O1;O[Fe]1(O[Fe]2(O1[Fe](O2)(O)(O)(O)O)(O)O)(O)O","InChI=1S/3Fe.9H2O.3O/h;;;9*1H2;;;/q+2;+3;+4;;;;;;;;;;;;/p-9","","2003-10-16","2023-09-23","(1~{R})-2,2,2,2,4,4,6,6,6-nonakis(oxidanyl)-1$l^{3},3,5-trioxa-2$l^{6},4$l^{5},6$l^{5}-triferrabicyclo[2.2.0]hexane",""],["CNG","N-cyclooctylglycine","C10 H19 N O2","O=C(O)CNC1CCCCCCC1;OC(=O)CNC1CCCCCCC1;C1CCCC(CCC1)NCC(=O)O","InChI=1S/C10H19NO2/c12-10(13)8-11-9-6-4-2-1-3-5-7-9/h9,11H,1-8H2,(H,12,13)","","2010-11-12","2013-05-23","N-cyclooctylglycine",""],["VLQ","6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid","C19 H16 Cl N O2","O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1;CC(C)c1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O;CC(C)c1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O","InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)","","2023-05-09","2023-06-09","6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid","2023-06-14"],["VLR","3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium","C45 H55 N6 O7 S2","O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1;COc1ccc(cc1)c2ccc3N(C)C=CC(=Cc4sc5ccccc5[n+]4CC(=O)NCCOCCOCCOCCNC(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]67)c3c2;CN1C=CC(=Cc2[n+](c3ccccc3s2)CC(=O)NCCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)c6c1ccc(c6)c7ccc(cc7)OC","InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1/t36-,40-,44+/m1/s1","","2023-09-13","2024-03-22","3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium","2024-03-27"],["CNH","2-HYDROXY-2-METHYLPROPANENITRILE","C4 H7 N O","N#CC(O)(C)C;CC(C)(O)C#N;CC(C)(C#N)O","InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","ACETONE CYANOHYDRIN","2000-09-20","2020-06-17","2-hydroxy-2-methylpropanenitrile",""],["VLS","N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine","C6 H13 N O5","C(CNC(CO)(CO)CO)(O)=O;OCC(CO)(CO)NCC(O)=O;C(C(=O)O)NC(CO)(CO)CO","InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)","","2020-08-27","2021-01-01","N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine","2021-01-06"],["CNI","7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile","C9 H2 N4 O4","[O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C2C=1;[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1C#N;C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N","InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H","","2007-11-08","2011-06-04","7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile",""],["VLT","(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid","C11 H13 N O3","O=C(O)C=CC(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)C=CC(O)=O;c1cc(ccc1CC(C=CC(=O)O)N)O","InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1","","2010-09-24","2024-09-27","(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid",""],["CNK","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol","C18 H19 N3 O5","OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3cccc4ccccc34;c1ccc2c(c1)cccc2c3[nH]c(nn3)C4C(C(C(C(O4)CO)O)O)O","InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1","","2017-11-28","2018-02-23","(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol","2018-02-28"],["CNL","1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE","C10 H18 O","O2C1(CCC(CC1)C2(C)C)C;CC12CCC(CC1)C(C)(C)O2;CC1(C2CCC(O1)(CC2)C)C","InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+","1,8-CINEOLE","2005-04-04","2020-06-17","(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane",""],["VLU","(1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H36 Cl N3 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)Cl","InChI=1S/C24H36ClN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1","","2022-08-30","2024-09-27","(1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-07"],["VLV","N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide","C20 H26 N4 O3 S","C(=O)(CCNC(Nc2nc(C)c(c1ccc(cc1)C(C)=O)s2)=O)NC(C)(C)C;CC(=O)c1ccc(cc1)c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C;Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C","InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)","","2020-08-27","2021-03-12","N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide","2021-03-17"],["CNM","ACETAMIDE","C2 H5 N O","O=C(N)C;CC(N)=O;CC(=O)N","InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/f/h3H2","","1999-07-08","2008-10-14","acetamide",""],["VLW","5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline","C26 H30 N4 O","COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6;CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC","InChI=1S/C26H30N4O/c1-28-13-15-29(16-14-28)21-5-8-23-19(17-21)18-24(30-12-11-27-25(23)30)26(9-10-26)20-3-6-22(31-2)7-4-20/h3-8,17-18H,9-16H2,1-2H3","","2023-03-20","2023-10-19","5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline","2023-06-14"],["CNN","CYANAMIDE","C H2 N2","N#CN;NC#N;C(#N)N","InChI=1S/CH2N2/c2-1-3/h2H2","","2000-06-01","2011-06-04","cyanamide",""],["VLX","(2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide","C11 H20 N2 O2","CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1;CCCC1CC(=O)N(C1)C(CC)C(=O)N","InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1","","2023-07-28","2024-04-26","(2~{S})-2-[(4~{R})-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide","2024-05-01"],["CNO","2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID","C30 H32 N2 O8","O=C(O)C(Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(OC(C(=O)O)(C)C)cc3)(C)C;CC(C)(Oc1ccc(CC(=O)Nc2cccc(NC(=O)Cc3ccc(OC(C)(C)C(O)=O)cc3)c2)cc1)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O","InChI=1S/C30H32N2O8/c1-29(2,27(35)36)39-23-12-8-19(9-13-23)16-25(33)31-21-6-5-7-22(18-21)32-26(34)17-20-10-14-24(15-11-20)40-30(3,4)28(37)38/h5-15,18H,16-17H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)","","2001-09-25","2011-06-04","2,2'-{benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)benzene-4,1-diyloxy]}bis(2-methylpropanoic acid)",""],["VLY","1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C20 H18 N4 O S","C2(=O)N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4ccccc4;C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4ccccc4;CC(c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4","InChI=1S/C20H18N4OS/c1-14(15-9-5-3-6-10-15)26-20-22-18-17(13-21-23(18)2)19(25)24(20)16-11-7-4-8-12-16/h3-14H,1-2H3/t14-/m1/s1","","2020-08-27","2020-12-25","1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2020-12-30"],["CNP","2-propenyl-N-acetyl-neuraminic acid","C14 H23 N O8","O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)CC=C;CC(=O)N[CH]1[CH](O)C[C](CC=C)(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CO)O)O)(CC=C)C(=O)O)O","InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1","2-PROPENYL-N-ACETYL-NEURAMIC ACID","1999-07-08","2020-07-17","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-prop-2-en-1-yl-D-erythro-L-manno-nononic acid",""],["VLZ","1,3-dihydroxypropan-2-yl dodecanoate","C15 H30 O4","O(C(CO)CO)C(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC(CO)CO;CCCCCCCCCCCC(=O)OC(CO)CO","InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3","2-lauroylglycerol","2020-09-15","2021-03-05","1,3-dihydroxypropan-2-yl dodecanoate","2021-03-10"],["CNQ","3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE","C15 H10 Cl N3 O","Clc3ccc(c1nc2c(cccc2nc1)C(=O)N)cc3;NC(=O)c1cccc2ncc(nc12)c3ccc(Cl)cc3;c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N","InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)","2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE","2004-08-25","2021-03-01","3-(4-chlorophenyl)quinoxaline-5-carboxamide",""],["VM0","(1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H36 Cl N3 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)Cl","InChI=1S/C24H36ClN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1","","2022-08-30","2024-09-27","(1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-07"],["CNR","(2S)-2-CHLOROPROPANOIC ACID","C3 H5 Cl O2","ClC(C(=O)O)C;C[CH](Cl)C(O)=O;CC(C(=O)O)Cl","InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1","2-MONOCHLOROPRAPANATE","2006-10-27","2021-03-01","(2S)-2-chloropropanoic acid",""],["VM1","5-(2-thienyl)nicotinic acid","C10 H7 N O2 S","O=C(O)c2cncc(c1sccc1)c2;OC(=O)c1cncc(c1)c2sccc2;c1cc(sc1)c2cc(cnc2)C(=O)O","InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13)","5-thiophen-2-ylpyridine-3-carboxylic acid; 5-(thien-2-yl)nicotinic acid","2009-09-18","2020-05-26","5-(thiophen-2-yl)pyridine-3-carboxylic acid",""],["CNS","HEXADECYL OCTANOATE","C24 H48 O2","O=C(OCCCCCCCCCCCCCCCC)CCCCCCC;CCCCCCCCCCCCCCCCOC(=O)CCCCCCC;CCCCCCCCCCCCCCCCOC(=O)CCCCCCC","InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3","","2004-08-11","2011-06-04","hexadecyl octanoate",""],["CNT","N-METHYL-META-CHLORO-TYROSINE","C10 H12 Cl N O3","Clc1cc(ccc1O)CC(C(=O)O)NC;CN[CH](Cc1ccc(O)c(Cl)c1)C(O)=O;CNC(Cc1ccc(c(c1)Cl)O)C(=O)O","InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1","N-METHYL-3-CHLORO-TYROSINE","2003-07-31","2024-09-27","3-chloro-N-methyl-L-tyrosine",""],["VM2","(1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol","C13 H25 N O4","OC2C(NCC1CCCCC1)C(C(O)C2O)CO;OC[CH]1[CH](O)[CH](O)[CH](O)[CH]1NCC2CCCCC2;C1CCC(CC1)CNC2C(C(C(C2O)O)O)CO","InChI=1S/C13H25NO4/c15-7-9-10(12(17)13(18)11(9)16)14-6-8-4-2-1-3-5-8/h8-18H,1-7H2/t9-,10+,11+,12-,13-/m0/s1","","2013-01-17","2014-09-05","(1R,2S,3S,4R,5R)-4-[(cyclohexylmethyl)amino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol","2014-01-29"],["VM3","5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline","C20 H15 Cl N2","Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35;c1ccc2c(c1)cc(n3c2ncc3)C4(CC4)c5ccc(cc5)Cl","InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2","","2023-03-20","2023-06-09","5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline","2023-06-14"],["CNU","5-CYANO-URIDINE-5'-MONOPHOSPHATE","C10 H12 N3 O9 P","N#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C#N)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C#N","InChI=1S/C10H12N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1","5-cyano-UMP; 5-cyanouridine 5'-(dihydrogen phosphate)","2007-12-14","2020-06-17","5-cyanouridine 5'-(dihydrogen phosphate)",""],["VM4","6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C20 H18 N4 O2 S","O=C2N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4cc(ccc4)O;C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4cccc(O)c4;CC(c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4","InChI=1S/C20H18N4O2S/c1-13(14-7-6-10-16(25)11-14)27-20-22-18-17(12-21-23(18)2)19(26)24(20)15-8-4-3-5-9-15/h3-13,25H,1-2H3/t13-/m1/s1","","2020-08-27","2020-12-25","6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2020-12-30"],["CNV","propanenitrile","C3 H5 N","N#CCC;CCC#N;CCC#N","InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3","","2012-10-01","2014-09-05","propanenitrile","2012-11-02"],["VM5","2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide","C21 H13 Br Cl2 F N3 O4 S","Brc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)c(F)c1Oc1cc(C#N)cc(Cl)c1;N[S](=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)c1;c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)Cc2ccc(c(c2F)Oc3cc(cc(c3)Cl)C#N)Br","InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)","","2021-12-29","2023-04-07","2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide","2023-04-12"],["CNW","7-diethylamino-2-oxo-chromene-3-carboxamide","C14 H16 N2 O3","CCN(CC)c1ccc2C=C(C(N)=O)C(=O)Oc2c1;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N","InChI=1S/C14H16N2O3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H2,15,17)","","2011-02-17","2012-01-13","7-diethylamino-2-oxo-chromene-3-carboxamide",""],["CNX","heptanenitrile","C7 H13 N","N#CCCCCCC;CCCCCCC#N;CCCCCCC#N","InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3","1-cyanohexane","2008-06-04","2020-06-17","heptanenitrile",""],["VM6","3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphite","C31 H41 N2 O5 P","CC1(C)c2ccccc2N(CCCO)C1=CC=C/CC=C1N(CCCOP(=O)(O)O)c2ccccc2C1(C)C;CC1(C)C(=CCC=CC=C2N(CCCO)c3ccccc3C2(C)C)N(CCCO[P](O)(O)=O)c4ccccc14;CC1(c2ccccc2N(C1=CCC=CC=C3C(c4ccccc4N3CCCO)(C)C)CCCOP(=O)(O)O)C","InChI=1S/C31H41N2O5P/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-38-39(35,36)37/h5-6,8-11,14-19,34H,7,12-13,20-23H2,1-4H3,(H2,35,36,37)/b6-5-,28-18+,29-19+","","2022-09-01","2023-04-14","3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphate","2023-04-19"],["VM7","3-(3-methylsulfonylphenyl)benzoic acid","C14 H12 O4 S","C[S](=O)(=O)c1cccc(c1)c2cccc(c2)C(O)=O;CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C14H12O4S/c1-19(17,18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)","","2017-07-27","2018-01-05","3-(3-methylsulfonylphenyl)benzoic acid","2018-01-10"],["CNY","13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE","C23 H44 N6 O12","O1C(CN)C(O)C(O)C2NCC5OC(OC3C(OC12)C(N)CC(N)C3O)C(O)C5OC4OC(CN)C(O)C(O)C4N;NC[CH]1O[CH](O[CH]2[CH](O)[CH]3O[CH]2CN[CH]4[CH](O)[CH](O)[CH](CN)O[CH]4O[CH]5[CH](N)C[CH](N)[CH](O)[CH]5O3)[CH](N)[CH](O)[CH]1O;C1C(C(C2C(C1N)OC3C(C(C(C(O3)CN)O)O)NCC4C(C(C(O4)O2)O)OC5C(C(C(C(O5)CN)O)O)N)O)N","InChI=1S/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1","CYCLIC NEOMYCIN","2005-06-24","2021-03-01","(2R,3S,4R,4aR,7R,8S,9R,10S,11aR,12S,13R,15S,15aR,16aR)-13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2H-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxy-beta-L-idopyranoside",""],["CNZ","L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine","C24 H28 N3 O7 S","[NH3+][CH](CCC(=O)N[CH](CSCC(=O)c1ccc(cc1)c2ccccc2)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)c2ccc(cc2)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]","InChI=1S/C24H27N3O7S/c25-18(24(33)34)10-11-21(29)27-19(23(32)26-12-22(30)31)13-35-14-20(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,26,32)(H,27,29)(H,30,31)(H,33,34)/p+1/t18-,19-/m0/s1","","2017-12-01","2018-06-01","[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium","2018-06-06"],["VM8","5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline","C21 H20 N2","CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24;CC(C)(Cc1ccccc1)c2cc3ccccc3c4n2ccn4","InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3","","2023-03-20","2023-06-09","5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline","2023-06-14"],["VM9","(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine","C29 H31 Cl F5 N7 O","FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1;Cc1cc(N)nc(c2c(Cl)cc3c(nc(OC[C]45CCCN4C[CH](F)C5)nc3c2F)N6C[CH]7CC[CH](C6)N7)c1C(F)(F)F;Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N4CC5CCC(C4)N5)OCC67CCCN6CC(C7)F)Cl)N","InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1","","2023-09-13","2023-11-03","(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine","2023-11-08"],["CO","COBALT (II) ION","Co","[Co+2];[Co++];[Co+2]","InChI=1S/Co/q+2","","1999-07-08","2011-06-04","cobalt(2+)",""],["CO0","(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione","C17 H14 N2 O2","CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccccc3;CN1C(=Cc2ccccc2)C(=O)Nc3ccccc3C1=O","InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-","","2019-05-10","2020-03-13","(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione","2020-03-18"],["VMA","1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C19 H17 N5 O S","c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4ccccc4;C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4ccccn4;CC(c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4","InChI=1S/C19H17N5OS/c1-13(16-10-6-7-11-20-16)26-19-22-17-15(12-21-23(17)2)18(25)24(19)14-8-4-3-5-9-14/h3-13H,1-2H3/t13-/m1/s1","","2020-08-27","2020-12-25","1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2020-12-30"],["VMB","N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","C25 H20 F6 N2 O2","O=C(NC(c1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1ccccc1c1ccc(cc1)C(F)(F)F;CN(C)C(=O)[CH](NC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)C(F)(F)F;CN(C)C(=O)C(c1cccc(c1)C(F)(F)F)NC(=O)c2ccccc2c3ccc(cc3)C(F)(F)F","InChI=1S/C25H20F6N2O2/c1-33(2)23(35)21(16-6-5-7-18(14-16)25(29,30)31)32-22(34)20-9-4-3-8-19(20)15-10-12-17(13-11-15)24(26,27)28/h3-14,21H,1-2H3,(H,32,34)/t21-/m0/s1","","2022-09-02","2023-04-28","N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","2023-05-03"],["CO1","17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC\nLOPENTA[A]PHENANTHREN-3-OL","C27 H44 O2","OC4CC3=CCC5C2C(C(C(CCC1OC1(C)C)C)CC2)(C)CCC5C3(C)CC4;C[CH](CC[CH]1OC1(C)C)[CH]2CC[CH]3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC[C]23C;CC(CCC1C(O1)(C)C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C","InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1","24,25(S)-EPOXYCHOLESTEROL","2003-05-13","2020-06-17","(3beta,14beta,24S)-24,25-epoxycholest-5-en-3-ol",""],["VMC","2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol","C23 H27 N3 O2","Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C;COc1cc(ccc1O)c2n(CC[CH]3CCCN3C)cnc2c4ccccc4;CN1CCCC1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4","InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1","","2019-09-06","2020-03-13","2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol","2020-03-18"],["CO2","CARBON DIOXIDE","C O2","O=C=O;O=C=O;C(=O)=O","InChI=1S/CO2/c2-1-3","","1999-07-08","2024-09-27","dioxomethane",""],["VMD","4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide","C20 H32 N6 O5 S","C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2;CC1C(OC(O1)(C)C)C(CNCCCn2cc(nn2)CNc3ccc(cc3)S(=O)(=O)N)O","InChI=1S/C20H32N6O5S/c1-14-19(31-20(2,3)30-14)18(27)12-22-9-4-10-26-13-16(24-25-26)11-23-15-5-7-17(8-6-15)32(21,28)29/h5-8,13-14,18-19,22-23,27H,4,9-12H2,1-3H3,(H2,21,28,29)/t14-,18-,19-/m1/s1","","2023-03-20","2024-03-22","4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide","2024-03-27"],["CO3","CARBONATE ION","C O3","[O-]C([O-])=O;[O-]C([O-])=O;C(=O)([O-])[O-]","InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2","","1999-07-08","2011-06-04","carbonate",""],["VME","METHYL L-VALINATE","C6 H13 N O2","O=C(OC)C(N)C(C)C;COC(=O)[CH](N)C(C)C;CC(C)C(C(=O)OC)N","InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1","O-METHYLVALINE","2006-11-11","2024-09-27","methyl L-valinate",""],["CO4","2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE","C19 H24 N6 O3","n1cc(c(c2c1nc(nc2N)N)C)CN(c3cc(OC)c(OC)c(OC)c3)C;COc1cc(cc(OC)c1OC)N(C)Cc2cnc3nc(N)nc(N)c3c2C;Cc1c(cnc2c1c(nc(n2)N)N)CN(C)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)","","2003-05-21","2011-06-04","5-methyl-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine",""],["VMF","(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol","C6 H13 N O4","OC[CH]1N[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(N1)CO)O)O)O","InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1","","2023-07-28","2024-04-05","(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol","2024-04-10"],["CO5","COBALT ION,5 WATERS COORDINATED","Co H10 O5","O|[Co+3](|O)(|O)(|O)|O;[OH2][Co+3]([OH2])([OH2])([OH2])[OH2]","InChI=1/Co.5H2O/h;5*1H2/q+3;;;;;/rCoH10O5/c2-1(3,4,5)6/h2-6H2/q+3","","2000-07-27","2008-10-14","",""],["VMG","5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C22 H22 N4 O2 S","O=C2c1cnn(c1N=C(N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C;C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccc(CCO)cc3)c4ccccc4;CC(c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO","InChI=1S/C22H22N4O2S/c1-15(17-6-4-3-5-7-17)29-22-24-20-19(14-23-25(20)2)21(28)26(22)18-10-8-16(9-11-18)12-13-27/h3-11,14-15,27H,12-13H2,1-2H3/t15-/m1/s1","","2020-08-27","2020-12-25","5-[4-(2-hydroxyethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2020-12-30"],["CO6","ISOBUTYRYL-COENZYME A","C25 H42 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)C;CC(C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1","IB-CO6","2006-10-11","2021-03-01","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylpropanethioate (non-preferred name)",""],["VMH","(4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","C29 H24 F6 N4 O2","Cn1nccc1c1cc(C(=O)NC(c2cccc(c2)C(F)(F)F)C(=O)N(C)C)c(cc1)c1ccc(cc1)C(F)(F)F;CN(C)C(=O)[CH](NC(=O)c1cc(ccc1c2ccc(cc2)C(F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F;Cn1c(ccn1)c2ccc(c(c2)C(=O)NC(c3cccc(c3)C(F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F","InChI=1S/C29H24F6N4O2/c1-38(2)27(41)25(19-5-4-6-21(15-19)29(33,34)35)37-26(40)23-16-18(24-13-14-36-39(24)3)9-12-22(23)17-7-10-20(11-8-17)28(30,31)32/h4-16,25H,1-3H3,(H,37,40)/t25-/m0/s1","","2022-09-02","2023-04-28","(4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide","2023-05-03"],["CO7","S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate","C25 H40 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O)/C=C/C;CC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O)n2cnc3c(N)ncnc23;CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O","InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-18(35)19(48-50(38,39)40)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1","","2007-11-08","2011-06-04","S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-but-2-enethioate (non-preferred name)",""],["CO8","OCTANOYL-COENZYME A","C29 H50 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCC;CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1","","1999-07-08","2011-06-04","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} octanethioate (non-preferred name)",""],["VMI","[(S)-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-butoxy-phosphinic acid","C18 H32 N4 O11 P3 S","CCCCO[P](O)(=O)[C](C)(O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;CCCCOP(=O)(C(C)(c1[n+](c(c(s1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O","InChI=1S/C18H31N4O11P3S/c1-5-6-8-31-34(24,25)18(4,23)17-22(11-14-10-20-13(3)21-16(14)19)12(2)15(37-17)7-9-32-36(29,30)33-35(26,27)28/h10,23H,5-9,11H2,1-4H3,(H5-,19,20,21,24,25,26,27,28,29,30)/p+1/t18-/m0/s1","","2023-03-20","2023-10-19","[(1~{S})-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-butoxy-phosphinic acid","2023-05-10"],["VMJ","5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C21 H20 N4 O2 S","O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(C)c4ccccc4;C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccc(CO)cc3)c4ccccc4;CC(c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO","InChI=1S/C21H20N4O2S/c1-14(16-6-4-3-5-7-16)28-21-23-19-18(12-22-24(19)2)20(27)25(21)17-10-8-15(13-26)9-11-17/h3-12,14,26H,13H2,1-2H3/t14-/m1/s1","","2020-08-27","2020-12-25","5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2020-12-30"],["CO9","1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN","C22 H25 N5 O5","O=C(c1nc(oc1)C(N)C)N4C(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CCC4;C[CH](N)c1occ(n1)C(=O)N2CCC[CH]2C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O;CC(c1nc(co1)C(=O)N2CCCC2C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)N","InChI=1S/C22H25N5O5/c1-12(23)20-26-17(11-32-20)21(29)27-8-4-7-18(27)19(28)25-16(22(30)31)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10-12,16,18,24H,4,7-9,23H2,1H3,(H,25,28)(H,30,31)/t12-,16-,18-/m0/s1","","2007-02-02","2011-06-04","1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-L-prolyl-L-tryptophan",""],["VMK","2-[4-(3-fluorophenyl)phenyl]ethanamine","C14 H14 F N","NCCc1ccc(cc1)c2cccc(F)c2;c1cc(cc(c1)F)c2ccc(cc2)CCN","InChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2","","2023-09-14","2023-12-22","2-[4-(3-fluorophenyl)phenyl]ethanamine","2023-12-27"],["COA","COENZYME A","C21 H36 N7 O16 P3 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1","","1999-07-08","2024-09-27","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)",""],["VML","N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","C24 H19 F6 N3 O2","O=C(NC(c1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F;CN(C)C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)C(F)(F)F;CN(C)C(=O)C(c1cccc(c1)C(F)(F)F)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F","InChI=1S/C24H19F6N3O2/c1-33(2)22(35)20(15-4-3-5-17(12-15)24(28,29)30)32-21(34)19-13-31-11-10-18(19)14-6-8-16(9-7-14)23(25,26)27/h3-13,20H,1-2H3,(H,32,34)/t20-/m0/s1","","2022-09-02","2023-04-28","N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","2023-05-03"],["COB","CO-METHYLCOBALAMIN","C63 H91 Co N13 O14 P","C[Co++]|12|3|N4=C5C=C6N|1=C([CH](CCC(N)=O)C6(C)C)C(=C7[N-]2=C([CH](CC(N)=O)[C]7(C)CCC(=O)NC[CH](C)O[P](O)(=O)O[CH]8[CH](O)[CH](O[CH]8CO)n9cnc%10cc(C)c(C)cc9%10)[C]%11(C)N|3=C([CH](CCC(N)=O)[C]%11(C)CC(N)=O)C(=C4[C](C)(CC(N)=O)[CH]5CCC(N)=O)C)C;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C(C7CCC(=O)N)(C)C)C(C(C1=C(C1=[N]9C5(C(C1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O","InChI=1S/C62H88N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);1H3;/q;;+1/b42-23-,54-32-,55-33-;;/t31-,34-,35-,36-,37+,41-,52-,53-,57+,59-,60+,61+,62+;;/m1../s1","","1999-07-08","2012-01-05","",""],["COC","COCAINE","C17 H21 N O4","O=C(OC)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2;COC(=O)[CH]1[CH](C[CH]2CC[CH]1N2C)OC(=O)c3ccccc3;CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)OC","InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1","","2000-02-25","2011-06-04","methyl (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate",""],["VMM","ETX0462 (Bound form)","C10 H16 N6 O7 S","c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O;CNC(=NO)[CH]1N(C[CH](NO[S](O)(=O)=O)c2cnn(C)c12)C(O)=O;CNC(=NO)C1c2c(cnn2C)C(CN1C(=O)O)NOS(=O)(=O)O","InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1","(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid","2020-08-27","2024-09-27","(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid","2021-05-26"],["VMN","1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one","C12 H10 Cl N O2","Clc1ccc(cc1)CN1C=CC(O)=CC1=O;OC1=CC(=O)N(Cc2ccc(Cl)cc2)C=C1;c1cc(ccc1CN2C=CC(=CC2=O)O)Cl","InChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-14-6-5-11(15)7-12(14)16/h1-7,15H,8H2","","2023-05-09","2023-06-09","1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one","2023-06-14"],["COD","DEPHOSPHO COENZYME A","C21 H35 N7 O13 P2 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1","","1999-07-29","2024-10-29","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)",""],["COE","FURO[2,3D]PYRIMIDINE ANTIFOLATE","C20 H22 N6 O6","O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2c3c(nc(nc3oc2)N)N)CCC(=O)O;CN(Cc1coc2nc(N)nc(N)c12)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CN(Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1/f/h23,27,30H,21-22H2","","1999-07-08","2008-10-14","N-[(4-{[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid",""],["VMO","(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol","C6 H13 N O3","CN1C[CH](O)[CH](O)[CH]1CO;CN1CC(C(C1CO)O)O","InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6+/m1/s1","","2023-07-28","2024-04-05","(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol","2024-04-10"],["VMP","N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide","C18 H20 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3cc2ccccc2cc3;OC[CH]1O[CH](NC(=O)NC(=O)c2ccc3ccccc3c2)[CH](O)[CH](O)[CH]1O;c1ccc2cc(ccc2c1)C(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1","","2012-11-21","2014-09-05","N-[(naphthalen-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","2013-12-11"],["COF","TRIFLUOROACETONYL COENZYME A","C24 H37 F3 N7 O17 P3 S","FC(F)(F)C(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O","InChI=1S/C24H37F3N7O17P3S/c1-23(2,18(38)21(39)30-4-3-14(36)29-5-6-55-8-13(35)24(25,26)27)9-48-54(45,46)51-53(43,44)47-7-12-17(50-52(40,41)42)16(37)22(49-12)34-11-33-15-19(28)31-10-32-20(15)34/h10-12,16-18,22,37-38H,3-9H2,1-2H3,(H,29,36)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t12-,16-,17-,18+,22-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,3,3-trifluoro-2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)",""],["COG","2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE","C18 H21 N5 O2","n3c1c(cc(cc1)N(Cc2cc(OC)ccc2OC)C)c(nc3N)N;COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1;CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N","InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)","","2002-07-25","2011-06-04","N~6~-(2,5-dimethoxybenzyl)-N~6~-methylquinazoline-2,4,6-triamine",""],["VMQ","N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","C25 H18 F9 N3 O2","O=C(NC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F;CN(C)C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F;CN(C)C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F","InChI=1S/C25H18F9N3O2/c1-37(2)22(39)20(14-9-16(24(29,30)31)11-17(10-14)25(32,33)34)36-21(38)19-12-35-8-7-18(19)13-3-5-15(6-4-13)23(26,27)28/h3-12,20H,1-2H3,(H,36,38)/t20-/m0/s1","","2022-09-02","2023-04-28","N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","2023-05-03"],["VMR","(4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine","C16 H15 Cl N2 O","Clc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1;c1cc(cc(c1)Oc2ccc(cc2)Cl)C3CC(=N)NC3","InChI=1S/C16H15ClN2O/c17-13-4-6-14(7-5-13)20-15-3-1-2-11(8-15)12-9-16(18)19-10-12/h1-8,12H,9-10H2,(H2,18,19)/t12-/m0/s1","","2023-03-20","2023-06-09","(4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine","2023-06-14"],["COH","PROTOPORPHYRIN IX CONTAINING CO","C34 H32 Co N4 O4","CC1=C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O","InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","1999-07-08","2023-09-23","",""],["VMS","5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE","C15 H23 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C;CC(C)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C15H23N7O7S/c1-6(2)8(16)14(25)21-30(26,27)28-3-7-10(23)11(24)15(29-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-8,10-11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8+,10-,11-,15-/m1/s1","","2004-06-09","2011-06-04","5'-O-(L-valylsulfamoyl)adenosine",""],["COI","2-OXO-4-METHYLPENTANOIC ACID","C6 H10 O3","O=C(C(=O)O)CC(C)C;CC(C)CC(=O)C(O)=O;CC(C)CC(=O)C(=O)O","InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)","alpha-ketoisocaproic acid","1999-07-08","2024-09-27","4-methyl-2-oxopentanoic acid",""],["VMT","2-(4-bromophenyl)ethanamine","C8 H10 Br N","NCCc1ccc(Br)cc1;c1cc(ccc1CCN)Br","InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2","4-Bromophenethylamine","2023-09-14","2023-12-22","2-(4-bromophenyl)ethanamine","2023-12-27"],["COJ","HYDROGENOBYRINIC ACID","C45 H60 N4 O14","CC1=C2N[C](C)([CH]3N=C(C(=C4N=C(C=C5N=C1[C](C)(CC(O)=O)[CH]5CCC(O)=O)C(C)(C)[CH]4CCC(O)=O)C)[C](C)(CCC(O)=O)[CH]3CC(O)=O)[C](C)(CC(O)=O)[CH]2CCC(O)=O;CC1=C2C(C(C(N2)(C3C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O","InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,37-22-/t23-,24+,25-,26+,40-,42-,43+,44+,45+/m1/s1","","2001-02-07","2011-06-04","",""],["VMV","N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid","C20 H25 N7 O5","c2(N)nc3CCC(CNc1ccc(C(NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N;Nc1nc(N)c2N[CH](CCc2n1)CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CCc3c(c(nc(n3)N)N)N2","InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12-,14-/m0/s1","","2020-08-28","2021-04-16","N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid","2021-04-21"],["COK","[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL\n(3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN\nDIPHOSPHATE","C23 H40 N7 O17 P3 S2","O=C(NCCSSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSSCCO;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSSCCO)O","InChI=1S/C23H40N7O17P3S2/c1-23(2,18(34)21(35)26-4-3-14(32)25-5-7-51-52-8-6-31)10-44-50(41,42)47-49(39,40)43-9-13-17(46-48(36,37)38)16(33)22(45-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,31,33-34H,3-10H2,1-2H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1","S-(THIOETHYLHYDROXY)COENZYME A","2006-03-22","2020-06-17","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)disulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["VMW","N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","C25 H21 F6 N3 O2","O=C(NC(c1cc(C)cc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F;CN(C)C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc(C)cc(c3)C(F)(F)F;Cc1cc(cc(c1)C(F)(F)F)C(C(=O)N(C)C)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F","InChI=1S/C25H21F6N3O2/c1-14-10-16(12-18(11-14)25(29,30)31)21(23(36)34(2)3)33-22(35)20-13-32-9-8-19(20)15-4-6-17(7-5-15)24(26,27)28/h4-13,21H,1-3H3,(H,33,35)/t21-/m0/s1","","2022-09-02","2023-04-28","N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","2023-05-03"],["COL","2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID","C10 H9 N O5 S2","O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCSC2;OC(=O)C(=O)Nc1sc2CSCCc2c1C(O)=O;C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O","InChI=1S/C10H9NO5S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)","","2000-06-26","2011-06-04","2-[(carboxycarbonyl)amino]-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid",""],["VMX","5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine","C13 H21 N7 O5 S","NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)CCCN)O)O)N","InChI=1S/C13H21N7O5S/c14-2-1-3-26(23,24)19-4-7-9(21)10(22)13(25-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,19,21-22H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1","","2009-12-30","2024-09-27","N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-azanyl-propane-1-sulfonamide",""],["COM","1-THIOETHANESULFONIC ACID","C2 H6 O3 S2","O=S(=O)(O)CCS;O[S](=O)(=O)CCS;C(CS(=O)(=O)O)S","InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)","","1999-07-08","2024-09-27","2-sulfanylethanesulfonic acid",""],["VMY","(1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL","C18 H16 F2 N6 O S2","Fc1cccc(F)c1Cn4nc(Nc2nnc(s2)C(O)(c3nc(cs3)C)C)cc4;Cc1csc(n1)[C](C)(O)c2sc(Nc3ccn(Cc4c(F)cccc4F)n3)nn2;Cc1csc(n1)C(C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O","InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25)/t18-/m0/s1","","2013-05-31","2014-09-05","(1S)-1-(5-{[1-(2,6-difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol","2013-12-11"],["CON","COBALT TETRAAMMINE ION","Co H12 N4","N.N.N.N.[Co+3];[NH3][Co+3]([NH3])([NH3])[NH3]","InChI=1S/Co.4H3N/h;4*1H3/q+3;;;;","","1999-07-08","2023-09-23","tetrakis($l^{4}-azanyl)cobalt(3+)",""],["COO","CROTONYL COENZYME A","C25 H40 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)/C=C/C;CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1","","2006-08-01","2011-06-04","S-{(13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} but-2-enethioate (non-preferred name)",""],["VMZ","1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone","C27 H33 Cl N6 O","CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5;CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCC4)c5ccc(cc5)Cl","InChI=1S/C27H33ClN6O/c1-19(35)33-14-16-34(17-15-33)22-8-9-23-24(18-22)31-26(32-25(23)30-13-12-29)27(10-2-3-11-27)20-4-6-21(28)7-5-20/h4-9,18H,2-3,10-17,29H2,1H3,(H,30,31,32)","","2023-03-20","2023-06-09","1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone","2023-06-14"],["VN0","(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol","C7 H16 N2 O3","CNC[CH]1N[CH](CO)[CH](O)[CH]1O;CNCC1C(C(C(N1)CO)O)O","InChI=1S/C7H16N2O3/c1-8-2-4-6(11)7(12)5(3-10)9-4/h4-12H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1","","2023-07-31","2024-04-05","(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol","2024-04-10"],["COP","N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID","C27 H27 N9 O6","O=C(O)c1ccccc1C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2)NCc3nc4c(nc3)nc(nc4N)N;Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[CH](CCCNC(=O)c4ccccc4C(O)=O)C(O)=O)cnc2n1;c1ccc(c(c1)C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O","InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1","PT523","1999-07-08","2020-06-17","2-{[(4S)-4-carboxy-4-{[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}butyl]carbamoyl}benzoic acid",""],["VN1","4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide","C22 H33 N9 O2","CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(cc(/C(N)=N)cc3)OC)CC;CC[CH](C)[CH](n1cc(COc2ccc(cc2OC)C(N)=N)nn1)c3cn(CCCCN)nn3;CCC(C)C(c1cn(nn1)CCCCN)n2cc(nn2)COc3ccc(cc3OC)C(=N)N","InChI=1S/C22H33N9O2/c1-4-15(2)21(18-13-30(28-27-18)10-6-5-9-23)31-12-17(26-29-31)14-33-19-8-7-16(22(24)25)11-20(19)32-3/h7-8,11-13,15,21H,4-6,9-10,14,23H2,1-3H3,(H3,24,25)/t15-,21-/m0/s1","","2020-08-28","2021-07-30","4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide","2021-08-04"],["COQ","2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE","C17 H20 N6 O2","n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)cc(OC)c3)C;COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1;CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N","InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)","","2002-07-25","2011-06-04","N~6~-(3,5-dimethoxybenzyl)-N~6~-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine",""],["VN2","N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","C34 H21 F9 N4 O2","O=C(Nc1cnccc1c1ccc(cc1)C(F)(F)F)C(NC(=O)c1cnccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F)(F)F;FC(F)(F)c1ccc(cc1)c2ccncc2NC(=O)[CH](NC(=O)c3cnccc3c4ccc(cc4)C(F)(F)F)c5cccc(c5)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C(C(=O)Nc2cnccc2c3ccc(cc3)C(F)(F)F)NC(=O)c4cnccc4c5ccc(cc5)C(F)(F)F","InChI=1S/C34H21F9N4O2/c35-32(36,37)22-8-4-19(5-9-22)25-12-14-44-17-27(25)30(48)47-29(21-2-1-3-24(16-21)34(41,42)43)31(49)46-28-18-45-15-13-26(28)20-6-10-23(11-7-20)33(38,39)40/h1-18,29H,(H,46,49)(H,47,48)/t29-/m0/s1","","2022-09-02","2023-04-28","N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","2023-05-03"],["COR","2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE","C17 H22 N2 O","OC(C(N)Cc1ccccc1)C(N)Cc2ccccc2;N[CH](Cc1ccccc1)[CH](O)[CH](N)Cc2ccccc2;c1ccc(cc1)CC(C(C(Cc2ccccc2)N)O)N","InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1","","1999-07-08","2011-06-04","2,4-diamino-1,2,4,5-tetradeoxy-1,5-diphenyl-L-arabinitol",""],["COS","COENZYME A PERSULFIDE","C21 H36 N7 O16 P3 S2","O=C(NCCSS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSS;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSS)O","InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-disulfanylethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["VN3","VANADATE ION","O3 V","O=[V-](=O)=O;O=[V-](=O)=O;O=[V-](=O)=O","InChI=1S/3O.V/q;;;-1","METAVANADATE","2005-07-14","2021-03-01","trioxovanadate(1-)",""],["VN4","oxido(dioxo)vanadium","O3 V","[O-][V](=O)=O;[O-][V](=O)=O;[O-][V](=O)=O","InChI=1S/3O.V/q;;-1;","","2007-12-12","2011-06-04","oxido(dioxo)vanadium",""],["COT","COA-S-ACETYL TRYPTAMINE","C33 H48 N9 O17 P3 S","O=C(NCCc2c1ccccc1nc2)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5ccccc45;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O","InChI=1S/C33H48N9O17P3S/c1-33(2,28(46)31(47)37-10-8-23(43)36-11-12-63-15-24(44)35-9-7-19-13-38-21-6-4-3-5-20(19)21)16-56-62(53,54)59-61(51,52)55-14-22-27(58-60(48,49)50)26(45)32(57-22)42-18-41-25-29(34)39-17-40-30(25)42/h3-6,13,17-18,22,26-28,32,38,45-46H,7-12,14-16H2,1-2H3,(H,35,44)(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,34,39,40)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-17-(1H-indol-3-yl)-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15-triazaheptadec-1-yl dihydrogen diphosphate (non-preferred name)",""],["COU","COUMARIN","C9 H6 O2","O=C2Oc1ccccc1C=C2;O=C1Oc2ccccc2C=C1;c1ccc2c(c1)C=CC(=O)O2","InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H","2H-1-BENZOPYRAN-2-ONE","2005-03-09","2021-03-01","2H-chromen-2-one",""],["VN5","~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine","C25 H32 N6 O","COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3)N5CCN(C)CC5;CN1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CC4)c5ccc(cc5)OC","InChI=1S/C25H32N6O/c1-30-13-15-31(16-14-30)19-5-8-21-22(17-19)28-24(29-23(21)27-12-11-26)25(9-10-25)18-3-6-20(32-2)7-4-18/h3-8,17H,9-16,26H2,1-2H3,(H,27,28,29)","","2023-03-20","2023-06-09","~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine","2023-06-14"],["VN6","5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide","C30 H37 N9 O5 S2","CN(c1ccc(CN2CC(CN)C2)cc1C(=O)Nc3ccc(cc3)[S](=O)(=O)N4CCN(CC4)c5nc(C)cc(n5)C#N)[S](C)(=O)=O;Cc1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)NC(=O)c4cc(ccc4N(C)S(=O)(=O)C)CN5CC(C5)CN)C#N","InChI=1S/C30H37N9O5S2/c1-21-14-25(17-32)35-30(33-21)38-10-12-39(13-11-38)46(43,44)26-7-5-24(6-8-26)34-29(40)27-15-22(18-37-19-23(16-31)20-37)4-9-28(27)36(2)45(3,41)42/h4-9,14-15,23H,10-13,16,18-20,31H2,1-3H3,(H,34,40)","","2023-09-14","2024-04-12","5-[[3-(aminomethyl)azetidin-1-yl]methyl]-~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide","2024-04-17"],["COV","(1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol","C28 H44 O4","OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)CC(O)C2)CCCC34C)(C)C;CC(C)(O)C[CH]1CO[C](C)(C1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C4(CC(CO4)CC(C)(C)O)C","InChI=1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22+,23-,24-,25-,27-,28-/m0/s1","","2008-04-11","2011-06-04","(1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol",""],["COW","Anthraniloyl-coenzyme A","C28 H41 N8 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccccc4N;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O","InChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1","","2009-04-28","2011-06-04","S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-aminobenzenecarbothioate (non-preferred name)",""],["VN8","(3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione","C23 H25 Cl2 N3 O2","Clc1cc(cc(Cl)c1)CN1CCC2N(C)C(=O)C(Cc3ccccc3)N(C)C(=O)C21;CN1[CH]2CCN(Cc3cc(Cl)cc(Cl)c3)[CH]2C(=O)N(C)[CH](Cc4ccccc4)C1=O;CN1C2CCN(C2C(=O)N(C(C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)Cl)Cl","InChI=1S/C23H25Cl2N3O2/c1-26-19-8-9-28(14-16-10-17(24)13-18(25)11-16)21(19)23(30)27(2)20(22(26)29)12-15-6-4-3-5-7-15/h3-7,10-11,13,19-21H,8-9,12,14H2,1-2H3/t19-,20+,21+/m1/s1","","2022-09-02","2023-04-28","(3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione","2023-05-03"],["VN9","3,4-dihydro-1~{H}-quinolin-2-one","C9 H9 N O","O=C1CCc2ccccc2N1;c1ccc2c(c1)CCC(=O)N2","InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)","","2023-03-20","2024-03-22","3,4-dihydro-1~{H}-quinolin-2-one","2024-03-27"],["COX","4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE","C16 H14 N2 O3 S","O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3;Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O;Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)","VALDECOXIB","2005-09-02","2020-06-17","4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide",""],["VNB","(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol","C8 H18 N2 O3","CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O;CN(C)CC1C(C(C(N1)CO)O)O","InChI=1S/C8H18N2O3/c1-10(2)3-5-7(12)8(13)6(4-11)9-5/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1","","2023-08-01","2024-04-05","(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol","2024-04-10"],["COY","CO-(ADENIN-9-YL-PENTYL)-COBALAMIN","C72 H106 Co N18 O14 P","C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-][CH]1C(=C3[CH](CCC(N)=O)C(C)(C)[CH]4C=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)[CH]6[N]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N]34)[N]9C(=C6C)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8C(C(C9=CC1C(C(C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O","InChI=1S/C62H92N13O14P.C10H14N5.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-3-4-5-15-7-14-8-9(11)12-6-13-10(8)15;/h20-21,23,28,31,34-37,41-42,52-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);6-7H,1-5H2,(H2,11,12,13);/q-4;;+5/b38-23-,50-32-,51-33-;;/t31-,34-,35-,36-,37+,41-,42+,52-,53-,54+,55+,56-,57+,59-,60+,61+,62+;;/m1../s1","","2000-02-16","2023-09-23","",""],["VNC","methyl N-(benzenesulfonyl)-N-methylglycinate","C10 H13 N O4 S","O=S(=O)(N(C)CC(=O)OC)c1ccccc1;COC(=O)CN(C)[S](=O)(=O)c1ccccc1;CN(CC(=O)OC)S(=O)(=O)c1ccccc1","InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3","","2022-09-02","2022-10-28","methyl N-(benzenesulfonyl)-N-methylglycinate","2022-11-02"],["COZ","COENZYME A","C21 H36 N7 O16 P3 S","O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O","InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16-,20-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)",""],["VND","(1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C11 H23 N O5","N(C1CC(C(C(C1O)O)O)(CO)O)CCCC;CCCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O;CCCCNC1CC(C(C(C1O)O)O)(CO)O","InChI=1S/C11H23NO5/c1-2-3-4-12-7-5-11(17,6-13)10(16)9(15)8(7)14/h7-10,12-17H,2-6H2,1H3/t7-,8-,9+,10-,11-/m0/s1","","2020-08-30","2021-10-08","(1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2021-10-13"],["CP","PHOSPHORIC ACID MONO(FORMAMIDE)ESTER","C H4 N O5 P","NC(=O)O[P](O)(O)=O;C(=O)(N)OP(=O)(O)O","InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)","","1999-08-09","2011-06-04","phosphono carbamate",""],["VNE","(3-methoxyphenyl)-pyrrol-1-yl-methanone","C12 H11 N O2","COc1cccc(c1)C(=O)n2cccc2;COc1cccc(c1)C(=O)n2cccc2","InChI=1S/C12H11NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h2-9H,1H3","","2023-03-20","2024-03-22","(3-methoxyphenyl)-pyrrol-1-yl-methanone","2024-03-27"],["CP0","(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE","C33 H38 N4 O6","O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)CC;CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C](O)(CC)C(=O)OC4;CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7","InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1","IRINOTECAN; CPT-11","2004-08-02","2020-05-27","(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate",""],["VNF","4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide","C24 H20 Cl N3 O","Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc3)c4ccccc4;c1ccc(cc1)C(Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl","InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1","","2009-11-24","2011-06-04","4-(4-chlorophenyl)-N-[(1R)-2-imidazol-1-yl-1-phenyl-ethyl]benzamide",""],["CP1","2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE","C11 H17 N5 O4","O=C1N=C(C=CN1CC(=O)N(CC(=O)O)CCNC)N;CNCCN(CC(O)=O)C(=O)CN1C=CC(=NC1=O)N;CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N","InChI=1S/C11H17N5O4/c1-13-3-5-15(7-10(18)19)9(17)6-16-4-2-8(12)14-11(16)20/h2,4,13H,3,5-7H2,1H3,(H,18,19)(H2,12,14,20)","","1999-07-08","2011-06-04","N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[2-(methylamino)ethyl]glycine",""],["VNG","N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide","C15 H12 N4 O2 S","O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4;c1cc(sc1c2ccnc(c2)NC(=O)C3CC3)c4ncon4","InChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20)","","2023-09-14","2024-08-30","~{N}-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide","2024-09-04"],["CP2","1,2-DICHLORO-PROPANE","C3 H6 Cl2","ClCC(Cl)C;C[CH](Cl)CCl;CC(CCl)Cl","InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1","","2000-11-03","2011-06-04","(2S)-1,2-dichloropropane",""],["CP3","COPROPORPHYRINOGEN III","C36 H44 N4 O8","O=C(O)CCc1c(c5nc1Cc2c(c(c(n2)Cc3nc(c(c3CCC(=O)O)C)Cc4nc(c(c4C)CCC(=O)O)C5)CCC(=O)O)C)C;Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC(O)=O)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C;Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C","InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)","","2003-10-29","2014-03-04","3,3',3'',3'''-(3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl)tetrapropanoic acid",""],["VNI","N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","C26 H19 Cl2 N5 O2","Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ccnc5;Clc1ccc([CH](Cn2ccnc2)NC(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(Cl)c1;c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4ccnc4)c5ccc(cc5Cl)Cl","InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1","","2009-04-01","2011-06-04","N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide",""],["VNJ","2-aminoacetophenone","C8 H9 N O","O=C(c1ccccc1N)C;CC(=O)c1ccccc1N;CC(=O)c1ccccc1N","InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3","","2014-01-28","2014-03-28","1-(2-aminophenyl)ethanone","2014-04-02"],["CP4","BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL","C24 H24 Cl2 N4 O4","Clc1cc2cc(nc2cc1)C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4;Clc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c3[nH]c4ccc(Cl)cc4c3;c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl","InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)","CP-526423; 1,2-BIS(2-(5-CHLOROINDOLE-2-CARBONYLAMINO)ETHOXY)ETHANE","2000-03-22","2020-06-17","N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(5-chloro-1H-indole-2-carboxamide)",""],["VNK","N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","C27 H52 N4 O5","O=C(NC(CC(C)C)C(O)C(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C;CCCCCC(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C)C(=O)N[CH](CC(C)C)[CH](O)C(C)C;CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N(C)C)C(=O)NC(CC(C)C)C(C(C)C)O","InChI=1S/C27H52N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-21,24-25,34H,10-16H2,1-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1","vinylketone carmaphycin analogue VNK1, double bound form","2012-11-01","2024-09-27","N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide","2014-01-29"],["CP5","(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE","C9 H6 O5 P","O=C([O-])C(=C/OP(=O)=O)c1ccccc1;[O-]C(=O)C(=CO[P](=O)=O)c1ccccc1;c1ccc(cc1)C(=COP(=O)=O)C(=O)[O-]","InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-","","2004-03-03","2024-09-27","(2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate",""],["VNL","4-HYDROXY-3-METHOXYBENZOATE","C8 H7 O4","[O-]C(=O)c1cc(OC)c(O)cc1;COc1cc(ccc1O)C([O-])=O;COc1cc(ccc1O)C(=O)[O-]","InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1","vanillate","2004-10-02","2020-06-17","4-hydroxy-3-methoxybenzoate",""],["CP6","5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE","C12 H13 Cl N4","Clc2ccc(c1c(nc(nc1CC)N)N)cc2;CCc1nc(N)nc(N)c1c2ccc(Cl)cc2;CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl","InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)","PYRIMETHAMINE","2003-02-07","2020-06-17","5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine",""],["CP7","6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE","C12 H14 N4","n1c(c(c(nc1N)N)c2ccccc2)CC;CCc1nc(N)nc(N)c1c2ccccc2;CCc1c(c(nc(n1)N)N)c2ccccc2","InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)","","2005-03-03","2011-06-04","6-ethyl-5-phenylpyrimidine-2,4-diamine",""],["VNM","(2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)","C30 H38 N9 O13 P","C1(=O)N(C=C(C(N1)=O)CN2c4c(N)nc(nc4CCC2CNc3ccc(C(NC(C(=O)O)CCC(O)=O)=O)cc3)N)C5CC(O)C(COP(O)(=O)O)O5;Nc1nc(N)c2N(CC3=CN([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)C(=O)NC3=O)[CH](CCc2n1)CNc5ccc(cc5)C(=O)N[CH](CCC(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)C5CC(C(O5)COP(=O)(O)O)O","InChI=1S/C30H38N9O13P/c31-25-24-18(35-29(32)36-25)6-5-17(10-33-16-3-1-14(2-4-16)26(43)34-19(28(45)46)7-8-23(41)42)38(24)11-15-12-39(30(47)37-27(15)44)22-9-20(40)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,33,40H,5-11,13H2,(H,34,43)(H,41,42)(H,45,46)(H,37,44,47)(H2,48,49,50)(H4,31,32,35,36)/t17-,19-,20-,21+,22+/m0/s1","","2020-08-31","2021-04-16","(2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)","2021-04-21"],["VNN","(4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone","C11 H16 N2 O S","Cc1cc(cs1)C(=O)N1CCN(C)CC1;CN1CCN(CC1)C(=O)c2csc(C)c2;Cc1cc(cs1)C(=O)N2CCN(CC2)C","InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3","","2022-09-02","2022-10-28","(4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone","2022-11-02"],["CP8","2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID","C19 H20 N2 O4 S","O=C2N(Cc1ccccc1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4;CN1c2ccc(cc2C[S]1(=O)=O)[CH]3CN(Cc4ccccc4)C(=O)CO3;CN1c2ccc(cc2CS1(=O)=O)C3CN(C(=O)CO3)Cc4ccccc4","InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1","CP-271485; (6R)-4-BENZYL-6-(1-METHYL-2,2-DIOXIDO-1,3-DIHYDRO-2,1-BENZISOTHIAZOL-5-YL)MORPHOLIN-3-ONE","2003-12-10","2020-06-17","(6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one",""],["CP9","3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE","C21 H16 N4 O S","O=C2Sc1ccccc1N2Cc5ccc(n3c4ccncc4nc3C)cc5;Cc1nc2cnccc2n1c3ccc(CN4C(=O)Sc5ccccc45)cc3;Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O","InChI=1S/C21H16N4OS/c1-14-23-17-12-22-11-10-18(17)25(14)16-8-6-15(7-9-16)13-24-19-4-2-3-5-20(19)27-21(24)26/h2-12H,13H2,1H3","CP-94,707","2004-06-29","2021-03-13","3-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzyl]-1,3-benzothiazol-2(3H)-one",""],["VNO","1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea","C8 H18 N2 O3 S","CC[S](=O)(=O)CCN(C)C(=O)N(C)C;CCS(=O)(=O)CCN(C)C(=O)N(C)C","InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3","","2023-03-20","2024-03-22","1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea","2024-03-27"],["VNP","3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I\nUM","C12 H20 N5 O6 P2 S","O=P(O)(O)NP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N;Cc1ncc(C[n+]2csc(CCO[P](O)(=O)N[P](O)(O)=O)c2C)c(N)n1;Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(NP(=O)(O)O)O","InChI=1S/C12H19N5O6P2S/c1-8-11(3-4-23-25(21,22)16-24(18,19)20)26-7-17(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,16,18,19,20,21,22)/p+1","THIAMIN-PNP; [2-[3-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YL)METHYL]-4-METHYL-1-THIA-3-AZON\nIACYCLOPENTA-2,4-DIEN-5-YL]ETHOXY-HYDROXY-PHOSPHORYL]AMINOPHOSPHONIC ACID","2006-03-14","2020-06-17","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["CPA","2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE","C19 H25 N8 O9 P","O=C1N=C(N)C=CN1C5OC(CO)C(OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)CC4O)C5;NC1=NC(=O)N(C=C1)[CH]2C[CH](O[P](O)(=O)OC[CH]3O[CH](C[CH]3O)n4cnc5c(N)ncnc45)[CH](CO)O2;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O)N","InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1","","1999-07-08","2024-09-27","(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name)",""],["CPB","2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE","C21 H20 Cl N O5","Clc4ccccc4C=2Oc1c(c(O)cc(O)c1C(=O)C=2)C3CCN(C)CC3O;CN1CC[CH]([CH](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl;CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O","InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1","FLAVOPIRIDOL","2000-05-11","2021-03-01","2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one",""],["VNQ","(2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol","C7 H15 N O4","CN1[CH](CO)[CH](O)[CH](O)[CH]1CO;CN1C(C(C(C1CO)O)O)CO","InChI=1S/C7H15NO4/c1-8-4(2-9)6(11)7(12)5(8)3-10/h4-7,9-12H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1","","2023-08-01","2024-04-05","(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol","2024-04-10"],["VNR","1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol","C23 H35 N4 O16 P3","O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)O;CC=C(CCO[P](O)(=O)O[P](O)(O)=O)C[C]12Nc3cc(C)c(C)cc3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C1=NC(=O)NC2=O;CC=C(CCOP(=O)(O)OP(=O)(O)O)CC12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C23H35N4O16P3/c1-4-14(5-6-41-46(39,40)43-45(36,37)38)9-23-20(24-22(32)25-21(23)31)27(16-8-13(3)12(2)7-15(16)26-23)10-17(28)19(30)18(29)11-42-44(33,34)35/h4,7-8,17-19,26,28-30H,5-6,9-11H2,1-3H3,(H,39,40)(H,25,31,32)(H2,33,34,35)(H2,36,37,38)/b14-4+/t17-,18+,19-,23+/m0/s1","","2011-06-15","2011-10-28","1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol",""],["CPC","2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACID","C6 H11 N O2","O=C(O)C1(NC)CC1C;CN[C]1(C[CH]1C)C(O)=O;CC1CC1(C(=O)O)NC","InChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1","","1999-07-08","2024-09-27","(1S,2S)-2-methyl-1-(methylamino)cyclopropanecarboxylic acid",""],["VNS","(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide","C31 H29 F N4 O3 S","O=C(Nc1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4ccc(cc4)C5CCN(C)CC5)C6)=O;CN1CCC(CC1)c2ccc(cc2)c3ccc4CN([CH](C(=O)Nc5sccn5)c6cc(F)ccc6O)C(=O)c4c3;CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)C(c5cc(ccc5O)F)C(=O)Nc6nccs6","InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)/t28-/m1/s1","","2020-08-31","2021-09-03","(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide","2021-09-08"],["CPD","[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER","C28 H36 Cl2 F3 N6 O8 P","FC(F)(F)C(=O)Nc1ccc(cc1)CP(=O)(OC(c2ccc(cc2)[N+]([O-])=O)C(NC(=O)C(Cl)Cl)CO)N(C(=O)NCC)CCCN(C)C;CCNC(=O)N(CCCN(C)C)[P](=O)(Cc1ccc(NC(=O)C(F)(F)F)cc1)O[CH]([CH](CO)NC(=O)C(Cl)Cl)c2ccc(cc2)[N+]([O-])=O;CCNC(=O)N(CCCN(C)C)P(=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)OC(c2ccc(cc2)[N+](=O)[O-])C(CO)NC(=O)C(Cl)Cl","InChI=1S/C28H36Cl2F3N6O8P/c1-4-34-27(43)38(15-5-14-37(2)3)48(46,17-18-6-10-20(11-7-18)35-26(42)28(31,32)33)47-23(22(16-40)36-25(41)24(29)30)19-8-12-21(13-9-19)39(44)45/h6-13,22-24,40H,4-5,14-17H2,1-3H3,(H,34,43)(H,35,42)(H,36,41)/t22-,23+,48+/m1/s1","","1999-07-08","2011-06-04","(1S,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl (S)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoroacetyl)amino]benzyl}phosphonamidoate",""],["VNT","N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","C25 H18 Cl2 N6 O2","Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ncnc5;Clc1ccc([CH](Cn2cncn2)NC(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(Cl)c1;c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4cncn4)c5ccc(cc5Cl)Cl","InChI=1S/C25H18Cl2N6O2/c26-19-10-11-20(21(27)12-19)22(13-33-15-28-14-29-33)30-23(34)16-6-8-18(9-7-16)25-32-31-24(35-25)17-4-2-1-3-5-17/h1-12,14-15,22H,13H2,(H,30,34)/t22-/m0/s1","","2012-08-01","2013-07-12","N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide","2013-07-17"],["CPF","1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID","C17 H18 F N3 O3","O=C(O)C=3C(=O)c1c(cc(c(F)c1)N2CCNCC2)N(C=3)C4CC4;OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O;c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4","InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)","ciprofloxacin","2003-04-09","2020-06-17","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid",""],["VNU","N-(1-phenylcyclobutyl)glycinamide","C12 H16 N2 O","O=C(NC1(CCC1)c1ccccc1)CN;NCC(=O)NC1(CCC1)c2ccccc2;c1ccc(cc1)C2(CCC2)NC(=O)CN","InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)","","2022-09-02","2022-10-28","N-(1-phenylcyclobutyl)glycinamide","2022-11-02"],["CPG","GUANOSINE-5'-PHOSPHATE","C10 H14 N5 O8 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1/f/h14,19-20H,11H2","","1999-07-08","2008-10-14","5'-guanylic acid",""],["VNV","3-phenyl-1,2-oxazol-5-amine","C9 H8 N2 O","Nc1onc(c1)c2ccccc2;c1ccc(cc1)c2cc(on2)N","InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2","","2023-03-20","2024-03-22","3-phenyl-1,2-oxazol-5-amine","2024-03-27"],["CPH","(1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose","C21 H24 O9","CC(O)C(O)C(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O;CO[CH]([CH]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[CH]1O)C(=O)[CH](O)[CH](C)O;Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)C(C(C)O)O)OC)O)O","InChI=1S/C21H24O9/c1-7-12(23)6-10-4-9-5-11(21(30-3)20(29)16(25)8(2)22)17(26)19(28)14(9)18(27)13(10)15(7)24/h4,6,8,11,16-17,21-27H,5H2,1-3H3/t8-,11-,16+,17+,21+/m1/s1","None","1999-07-08","2021-05-11","(1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose",""],["VNW","8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid","C11 H10 N2 O2 Se","C[Se]c1cc(nc2c(N)cccc12)C(O)=O;C[Se]c1cc(nc2c1cccc2N)C(=O)O","InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)","","2023-09-14","2024-09-27","8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid","2023-10-11"],["CPI","6-CARBOXYPIPERIDINE","C6 H11 N O2","O=C(O)C1NCCCC1;OC(=O)[CH]1CCCCN1;C1CCNC(C1)C(=O)O","InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1","","1999-07-08","2024-09-27","(2R)-piperidine-2-carboxylic acid",""],["VNX","5-cyclopropyl-2H-tetrazole","C4 H6 N4","C1CC1c1n[NH]nn1;C1CC1c2n[nH]nn2;C1CC1c2n[nH]nn2","InChI=1S/C4H6N4/c1-2-3(1)4-5-7-8-6-4/h3H,1-2H2,(H,5,6,7,8)","","2022-09-02","2022-10-28","5-cyclopropyl-2H-tetrazole","2022-11-02"],["CPJ","BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE","C16 H24 N2 O12","O=C(OC1COC(OC1)(C(=O)O)C)NCCNC(=O)OC2COC(OC2)(C(=O)O)C;C[C]1(OC[CH](CO1)OC(=O)NCCNC(=O)O[CH]2CO[C](C)(OC2)C(O)=O)C(O)=O;CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O","InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+","","2005-06-29","2011-06-04","({cis)-5,5'-[ethane-1,2-diylbis(carbamoyloxy)]bis(2-methyl-1,3-dioxane-2-carboxylic acid)",""],["CPK","BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE","C18 H26 N2 O12","O=C(OC1COC(OC1)(C(=O)O)C)N3CCN(C(=O)OC2COC(OC2)(C(=O)O)C)CC3;C[C]1(OC[CH](CO1)OC(=O)N2CCN(CC2)C(=O)O[CH]3CO[C](C)(OC3)C(O)=O)C(O)=O;CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O","InChI=1S/C18H26N2O12/c1-17(13(21)22)27-7-11(8-28-17)31-15(25)19-3-5-20(6-4-19)16(26)32-12-9-29-18(2,14(23)24)30-10-12/h11-12H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12-,17+,18+","","2005-06-29","2011-06-04","({cis)-5,5'-[piperazine-1,4-diylbis(carbonyloxy)]bis(2-methyl-1,3-dioxane-2-carboxylic acid)",""],["VNY","PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE","C21 H24 O5","CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3;CC(=CC1C(C(C(C(O1)CO)O)O)O)c2ccc(cc2)c3ccccc3","InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1","","2015-07-27","2016-03-04","(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-2-(4-phenylphenyl)prop-1-enyl]oxane-3,4,5-triol","2016-03-09"],["VNZ","Ivabradine","C27 H36 N2 O5","COc1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC;CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)CC3Cc4c3cc(c(c4)OC)OC","InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1","3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one; 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one","2023-03-20","2024-08-09","3-[3-[[(7~{S})-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one","2024-08-14"],["CPL","1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C42 H80 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC","InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1","PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE","2002-05-10","2021-03-01","(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate",""],["VO0","(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol","C7 H16 N2 O3","CN1[CH](CN)[CH](O)[CH](O)[CH]1CO;CN1C(C(C(C1CO)O)O)CN","InChI=1S/C7H16N2O3/c1-9-4(2-8)6(11)7(12)5(9)3-10/h4-7,10-12H,2-3,8H2,1H3/t4-,5-,6-,7+/m1/s1","","2023-08-01","2024-04-05","(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol","2024-04-10"],["CPM","S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-S-METHANE","C11 H16 N2 O2 S","O=C(O)C(CS(=N)(=N)C)Cc1ccccc1;C[S](=N)(=N)C[CH](Cc1ccccc1)C(O)=O;CS(=N)(=N)CC(Cc1ccccc1)C(=O)O","InChI=1S/C11H16N2O2S/c1-16(12,13)8-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3,(H,14,15)/t10-/m1/s1","","1999-07-08","2011-06-04","(2S)-2-benzyl-3-(S-methylsulfonodiimidoyl)propanoic acid",""],["VO1","3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine","C16 H15 N3 O S","n2cccc(OCc1ccccc1)c2Nc3nc(cs3)C;Cc1csc(Nc2ncccc2OCc3ccccc3)n1;Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3","InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)","","2013-09-10","2013-09-20","3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine","2013-09-25"],["CPN","2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE","C10 H16 N5 O4","O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N;NC1=NC(=O)N(CC(=O)N(CC[NH3+])CC(O)=O)C=C1;C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O","InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1","","1999-07-08","2024-09-27","2-{[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl](carboxymethyl)amino}ethanaminium",""],["CPO","COPROGEN","C35 H53 Fe N6 O13","CC(=O)N[CH]1CCC[N]2O[Fe]3|45(|O=C(C=C(C)CCO)[N](CCC[CH]6NC(=O)[CH](CCC[N](O3)C(=O|4)C=C(C)CCOC1=O)NC6=O)O5)|O=C2C=C(C)CCO;CC1=CC2=O[Fe]345(O=C(N(O3)CCCC6C(=O)NC(CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCCC(C(=O)OCC1)NC(=O)C)C=C(C)CCO","InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+;/t27-,28-,29+;/m0./s1","","2000-05-17","2009-11-02","",""],["VO2","3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine","C17 H17 N3 O S","n2cc(cc(OCc1ccccc1)c2Nc3nc(cs3)C)C;Cc1cnc(Nc2scc(C)n2)c(OCc3ccccc3)c1;Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3","InChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)","","2013-09-10","2013-09-20","3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine","2013-09-25"],["VO3","TETRAMETAVANADATE","O13 V4","[O-][V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])([O-])=O;[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-]","InChI=1S/13O.4V/q;;;;;;;6*-1;;;;","","2002-01-24","2011-06-07","",""],["CPP","2-CYCLOPROPYLMETHYLENEPROPANAL","C7 H12 O","O=CC(C)CC1CC1;C[CH](CC1CC1)C=O;CC(CC1CC1)C=O","InChI=1S/C7H12O/c1-6(5-8)4-7-2-3-7/h5-7H,2-4H2,1H3/t6-/m0/s1","","1999-07-08","2011-12-12","(2S)-3-cyclopropyl-2-methylpropanal",""],["CPQ","N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE","C42 H75 N3 O15","O=C(NCCCN(C(=O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C)CCCNC(=O)C(O)C(O)C(O)C(O)CO)C(O)C(O)C(O)C(O)CO;C[CH](CCC(=O)N(CCCNC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO)CCCNC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1","DEOXY-BIGCHAP","2001-03-30","2021-03-01","(2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)",""],["VO4","VANADATE ION","O4 V","[O-][V]([O-])([O-])=O;[O-][V]([O-])([O-])=O;[O-][V](=O)([O-])[O-]","InChI=1S/4O.V/q;3*-1;","","1999-07-08","2011-06-04","trioxido(oxo)vanadium",""],["VO5","N-ethyl-2-methoxybenzene-1-sulfonamide","C9 H13 N O3 S","O=S(=O)(NCC)c1ccccc1OC;CCN[S](=O)(=O)c1ccccc1OC;CCNS(=O)(=O)c1ccccc1OC","InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3","","2022-09-02","2022-10-28","N-ethyl-2-methoxybenzene-1-sulfonamide","2022-11-02"],["CPR","6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE","C10 H13 Cl N4 O7 P","Clc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(Cl)[nH+]cnc23;c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)Cl","InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","6-chloro-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-1-ium",""],["CPS","3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE","C32 H58 N2 O7 S","[O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C;C[CH](CCC(=O)NCCC[N+](C)(C)CCC[S]([O-])(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1","CHAPS","1999-07-08","2020-06-17","3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate",""],["VO6","[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol","C12 H15 As N6 O S2","Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1;c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3SCC(S3)CO","InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m0/s1","","2023-03-20","2024-09-27","[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol","2024-10-02"],["VO7","N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide","C27 H31 N7 O2","c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C;COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3c[nH]c4ccccc34;CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC","InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)","AZ5104","2020-08-31","2024-09-27","N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide","2021-09-08"],["CPT","Cisplatin","Cl2 H6 N2 Pt","[Pt](N)(N)(Cl)Cl;N|[Pt](|N)(Cl)Cl;[NH3][Pt]([NH3])(Cl)Cl","InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2","diammine(dichloro)platinum","1999-07-08","2021-03-01","diammine(dichloro)platinum",""],["VO8","5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile","C29 H23 N3 O4","N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O;CCC(=O)N1C(=O)N(CCOc2ccccc2Oc3cccc4cc(ccc34)C#N)c5ccccc15;CCC(=O)N1c2ccccc2N(C1=O)CCOc3ccccc3Oc4cccc5c4ccc(c5)C#N","InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3","","2023-09-14","2023-11-03","5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile","2023-11-08"],["CPU","N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA","C16 H24 N2 O","O=C(NC1CCCCC1)NCCCc2ccccc2;O=C(NCCCc1ccccc1)NC2CCCCC2;c1ccc(cc1)CCCNC(=O)NC2CCCCC2","InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)","","1999-08-20","2011-06-04","1-cyclohexyl-3-(3-phenylpropyl)urea",""],["VO9","N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide","C10 H13 N O2 S","O=C(N(CCO)C1CC1)c1cccs1;OCCN(C1CC1)C(=O)c2sccc2;c1cc(sc1)C(=O)N(CCO)C2CC2","InChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2","","2022-09-02","2022-10-28","N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide","2022-11-02"],["CPV","5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID","C15 H29 N O3","O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1;CC(C)[CH](C[CH](O)[CH](N)CC1CCCCC1)C(O)=O;CC(C)C(CC(C(CC1CCCCC1)N)O)C(=O)O","InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1","(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid","1999-07-08","2020-06-17","(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid",""],["VOA","N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide","C20 H19 Cl N4 O2","Clc1ccc(cn1)NC(=O)C(C)Nc1cc2c3CCOCc3cnc2cc1;C[CH](Nc1ccc2ncc3COCCc3c2c1)C(=O)Nc4ccc(Cl)nc4;CC(C(=O)Nc1ccc(nc1)Cl)Nc2ccc3c(c2)c4c(cn3)COCC4","InChI=1S/C20H19ClN4O2/c1-12(20(26)25-15-3-5-19(21)23-10-15)24-14-2-4-18-17(8-14)16-6-7-27-11-13(16)9-22-18/h2-5,8-10,12,24H,6-7,11H2,1H3,(H,25,26)/t12-/m0/s1","","2020-08-31","2024-11-22","N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide","2024-11-27"],["CPW","(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID","C10 H13 N3 O4","O=C(O)C(N)CN1C2=C(C(=O)NC1=O)CCC2;N[CH](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O;C1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N","InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1","","2004-04-23","2011-06-04","3-(2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)-L-alanine",""],["VOB","N,N-diethyl-2-(4-nitrophenoxy)ethan-1-amine","C12 H18 N2 O3","[O-][N+](=O)c1ccc(OCCN(CC)CC)cc1;CCN(CC)CCOc1ccc(cc1)[N+]([O-])=O;CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3","","2023-03-21","2026-04-06","N,N-diethyl-2-(4-nitrophenoxy)ethan-1-amine","2024-04-03"],["CPX","N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE","C24 H38 N4 O4","O=C(N2C(C(NC(=O)C1CC1)CC2)C3(C=O)CCC3)C(NC(=O)NC4CCCC4)C(C)C;CC(C)[CH](NC(=O)NC1CCCC1)C(=O)N2CC[CH](NC(=O)C3CC3)[CH]2C4(CCC4)C=O;CC(C)C(C(=O)N1CCC(C1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4","InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1","","2003-12-11","2024-09-27","N-[(2R,3S)-1-[N-(cyclopentylcarbamoyl)-L-valyl]-2-(1-formylcyclobutyl)pyrrolidin-3-yl]cyclopropanecarboxamide",""],["VOC","6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone","C16 H16 N4 O2","CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3;CCc1cccc2c1n[nH]c2C(=O)N3CCc4c(nco4)C3","InChI=1S/C16H16N4O2/c1-2-10-4-3-5-11-14(10)18-19-15(11)16(21)20-7-6-13-12(8-20)17-9-22-13/h3-5,9H,2,6-8H2,1H3,(H,18,19)","","2023-08-02","2023-12-01","6,7-dihydro-4~{H}-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2~{H}-indazol-3-yl)methanone","2023-12-06"],["CPY","1-(3-AMINO-4-CYCLOHEXYL-2-HYDROXYBUTYL)PYRIDIN-2(1H)-ONE","C15 H24 N2 O2","O=C1C=CC=CN1CC(O)C(N)CC2CCCCC2;N[CH](CC1CCCCC1)[CH](O)CN2C=CC=CC2=O;C1CCC(CC1)CC(C(CN2C=CC=CC2=O)O)N","InChI=1S/C15H24N2O2/c16-13(10-12-6-2-1-3-7-12)14(18)11-17-9-5-4-8-15(17)19/h4-5,8-9,12-14,18H,1-3,6-7,10-11,16H2/t13-,14-/m0/s1","","2000-09-25","2011-06-04","1-[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]pyridin-2(1H)-one",""],["VOD","(4-VINYLPHENYL)METHANESULFONIC ACID","C9 H10 O3 S","O=S(=O)(O)Cc1ccc(cc1)C=C;O[S](=O)(=O)Cc1ccc(C=C)cc1;C=Cc1ccc(cc1)CS(=O)(=O)O","InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)","","2014-05-09","2024-09-27","(4-ethenylphenyl)methanesulfonic acid","2015-10-07"],["CPZ","4-(4-CHLOROPHENYL)IMIDAZOLE","C9 H7 Cl N2","Clc2ccc(c1cncn1)cc2;Clc1ccc(cc1)c2[nH]cnc2;c1cc(ccc1c2cnc[nH]2)Cl","InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)","","2004-04-01","2011-06-04","5-(4-chlorophenyl)-1H-imidazole",""],["CQ0","3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide","C21 H24 N4 O","O=C(NC1CC1)c4cc(c3ccn2c(nnc2C(C)(C)C)c3)c(cc4)C;Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4;Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4","InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26)","","2011-05-23","2012-03-30","3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide",""],["VOE","(2R)-2-phenylbutan-1-amine","C10 H15 N","NCC(CC)c1ccccc1;CC[CH](CN)c1ccccc1;CCC(CN)c1ccccc1","InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m0/s1","","2022-09-02","2022-10-28","(2R)-2-phenylbutan-1-amine","2022-11-02"],["VOF","(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone","C10 H8 F2 N3 O","F[CH](n1c[n](F)cn1)C(=O)c2ccccc2;c1ccc(cc1)C(=O)C(N2C=[N](C=N2)F)F","InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1","","2023-03-21","2024-03-29","(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone","2024-04-03"],["CQ1","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C15 H16 N6 O4","O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(/N=[N+]=[N-])cc2;C[CH](O)[CH](N)C1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(=O)O)N)O","InChI=1S/C15H16N6O4/c1-8(22)13(16)14-18-11(15(25)21(14)7-12(23)24)6-9-2-4-10(5-3-9)19-20-17/h2-6,8,13,22H,7,16H2,1H3,(H,23,24)/b11-6-/t8-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2013-02-21","2024-09-27","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","2013-06-26"],["VOG","(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C10 H21 N O7","C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO;OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO","InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1","voglibose","2018-01-30","2021-03-01","(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2018-02-28"],["CQ2","{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H18 N4 O4","O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(N)cc2;C[CH](O)[CH](N)C1=NC(=Cc2ccc(N)cc2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(cc2)N)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2013-02-21","2024-09-27","{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2013-06-26"],["VOH","Veratryl alcohol","C9 H12 O3","COc1ccc(CO)cc1OC;COc1ccc(cc1OC)CO","InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3","","2017-09-27","2018-12-07","(3,4-dimethoxyphenyl)methanol","2018-12-12"],["CQ3","N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide","C18 H22 Cl N5 O2","CCC(=O)Nc1ccccc1Nc2nc(NC3CCOCC3)ncc2Cl;CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl","InChI=1S/C18H22ClN5O2/c1-2-16(25)22-14-5-3-4-6-15(14)23-17-13(19)11-20-18(24-17)21-12-7-9-26-10-8-12/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)(H2,20,21,23,24)","","2015-04-13","2024-09-27","N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide","2015-05-27"],["CQ4","Chromate","Cr O4","[O-][Cr]([O-])(=O)=O;[O-][Cr]([O-])(=O)=O;[O-][Cr](=O)(=O)[O-]","InChI=1S/Cr.4O/q;;;2*-1","Dioxido(dioxo)chromium","2015-02-10","2020-06-17","dioxido(dioxo)chromium","2016-09-14"],["VOI","3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide","C20 H19 N3 O3","CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N;CN(C)C(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N;CN(C)C(=O)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N","InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3","","2023-09-14","2023-11-03","3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide","2023-11-08"],["VOJ","3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine","C20 H19 F N6 O","n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N;C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc3n4cccn4;Cc1c(c[nH]n1)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4cccn4)F","InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1","","2020-08-31","2021-01-08","3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine","2021-01-13"],["CQ5","3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one","C26 H37 N5 O3","C[CH](CC(=O)N1CCC(O)(CC1)CN2C=NC(=CC2=O)NCCN3CCCC3)c4ccccc4;CC(CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4","InChI=1S/C26H37N5O3/c1-21(22-7-3-2-4-8-22)17-24(32)30-14-9-26(34,10-15-30)19-31-20-28-23(18-25(31)33)27-11-16-29-12-5-6-13-29/h2-4,7-8,18,20-21,27,34H,5-6,9-17,19H2,1H3/t21-/m1/s1","","2017-12-01","2018-04-06","3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one","2018-04-11"],["CQ6","7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine","C14 H22 N4 O3 S","CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1;CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3","InChI=1S/C14H22N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h9,12H,2-8,10H2,1H3,(H,15,16,17)","","2015-04-13","2024-09-27","7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine","2015-05-27"],["VOK","5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione","C9 H14 N2 O3","O=C1NC(=O)N(C)C(=O)C1(CC)CC;CCC1(CC)C(=O)NC(=O)N(C)C1=O;CCC1(C(=O)NC(=O)N(C1=O)C)CC","InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)","","2022-09-02","2022-10-28","5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione","2022-11-02"],["VOL","L-VALINOL","C5 H13 N O","OCC(N)C(C)C;CC(C)[CH](N)CO;CC(C)C(CO)N","InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1","","2002-06-26","2024-09-27","(2S)-2-amino-3-methylbutan-1-ol",""],["CQ7","4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide","C28 H28 N6 O4","Cc1nc2c(o1)cc(cc2)c3cnc5c3c(nc(Nc4c(OC)cc(cc4)C(NC)=O)n5)OC6CCCC6;CNC(=O)c1ccc(Nc2nc3[nH]cc(c4ccc5nc(C)oc5c4)c3c(OC6CCCC6)n2)c(OC)c1;Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6","InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)","","2017-09-28","2017-10-20","4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide","2017-10-25"],["CQ8","2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide","C18 H21 Cl N4 O2","CNC(=O)c1ccccc1Nc2cc(NC3CCOCC3)ncc2Cl;CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3","InChI=1S/C18H21ClN4O2/c1-20-18(24)13-4-2-3-5-15(13)23-16-10-17(21-11-14(16)19)22-12-6-8-25-9-7-12/h2-5,10-12H,6-9H2,1H3,(H,20,24)(H2,21,22,23)","","2015-04-10","2015-05-22","2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide","2015-05-27"],["VOM","2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide","C21 H18 F N5 O2","c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C;C[CH](Oc1cc2cc(ccc2nc1N)C(N)=O)c3cc(F)ccc3n4cccn4;CC(c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N","InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1","","2020-08-31","2021-01-08","2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide","2021-01-13"],["VON","(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid","C6 H11 N O5","O[CH]1NC[CH]([CH](O)[CH]1O)C(O)=O;C1C(C(C(C(N1)O)O)O)C(=O)O","InChI=1S/C6H11NO5/c8-3-2(6(11)12)1-7-5(10)4(3)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4-,5+/m0/s1","","2023-03-21","2024-01-05","(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid","2024-01-10"],["CQ9","(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione","C17 H14 N2 O3","CN1C(=O)c2ccccc2NC(=O)[C]13O[CH]3c4ccccc4;CN1C(=O)c2ccccc2NC(=O)C13C(O3)c4ccccc4","InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17+/m0/s1","","2019-05-10","2020-03-13","(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione","2020-03-18"],["VOO","2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide","C26 H26 F N5 O2","CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5;CNc1cc(cc2c1[nH]c(c2)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5)F","InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33)","","2023-08-02","2023-12-01","2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide","2023-12-06"],["CQA","4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL","C20 H22 Cl N3 O","Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl","InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)","AMODIAQUINE; FLAVOQUINE","2005-08-31","2020-05-27","4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol",""],["VOP","[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid","C23 H19 F N6 O3","c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N;C[CH](Oc1cc2cc(F)ccc2nc1N)c3cc4n(CC(O)=O)ncc4cc3n5cccn5;CC(c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F","InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1","","2020-08-31","2021-01-08","[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid","2021-01-13"],["CQB","(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid","C12 H19 N O8","CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(C)CC(C(=O)O)NC(=O)OC(CCC(=O)O)C(=O)O","InChI=1S/C12H19NO8/c1-6(2)5-7(10(16)17)13-12(20)21-8(11(18)19)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1","","2017-12-01","2018-12-07","(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid","2018-12-12"],["VOQ","N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide","C11 H19 N3 O2","CN(Cc1c(C)onc1C)C(=O)C(C)(C)N;CN(Cc1c(C)onc1C)C(=O)C(C)(C)N;Cc1c(c(on1)C)CN(C)C(=O)C(C)(C)N","InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3","","2022-09-02","2022-10-28","N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide","2022-11-02"],["CQC","5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione","C21 H17 N3 O4","CN1N=C(C)C(=C(O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)C1=O;CC1=NN(C(=O)C1=C(c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O)C","InChI=1S/C21H17N3O4/c1-12-17(21(28)23(2)22-12)18(25)14-8-9-15-16(10-14)20(27)24(19(15)26)11-13-6-4-3-5-7-13/h3-10,25H,11H2,1-2H3/b18-17-","","2019-05-10","2020-03-06","5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione","2020-03-11"],["VOR","Voriconazole","C16 H14 F3 N5 O","Fc1cncnc1C(C(O)(c2ccc(F)cc2F)Cn3ncnc3)C;C[CH](c1ncncc1F)[C](O)(Cn2cncn2)c3ccc(F)cc3F;CC(c1c(cncn1)F)C(Cn2cncn2)(c3ccc(cc3F)F)O","InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1","(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol","2010-04-01","2021-03-13","(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol",""],["CQD","6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione","C15 H16 Cl N3 O3","ClC=3C(=O)c1cccnc1C(=O)C=3NCCN2CCOCC2;ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O;c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3","InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2","","2012-08-28","2014-07-11","6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione","2014-07-16"],["VOT","(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide","C31 H44 N6 O6","CCc1ccc(NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1;CCc1ccc(cc1)NNc2ccc(cc2)CC(=O)NC(C(C)O)C(=O)NC3CC(CCNC(=O)CCC(NC3=O)C)O","InChI=1S/C31H44N6O6/c1-4-21-6-10-23(11-7-21)36-37-24-12-8-22(9-13-24)17-28(41)35-29(20(3)38)31(43)34-26-18-25(39)15-16-32-27(40)14-5-19(2)33-30(26)42/h6-13,19-20,25-26,29,36-39H,4-5,14-18H2,1-3H3,(H,32,40)(H,33,42)(H,34,43)(H,35,41)/t19-,20+,25-,26-,29-/m0/s1","","2023-03-22","2024-09-27","(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide","2023-12-27"],["CQE","N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide","C30 H28 F3 N5 O3 S2","Fc1cc(c(F)cc1)S(=O)(=O)Nc6cccc(c2nc(sc2c3ccnc(NC(=O)C)c3)C5CCN(C4CC4)CC5)c6F;CC(=O)Nc1cc(ccn1)c2sc(nc2c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F)C5CCN(CC5)C6CC6;CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F","InChI=1S/C30H28F3N5O3S2/c1-17(39)35-26-15-19(9-12-34-26)29-28(36-30(42-29)18-10-13-38(14-11-18)21-6-7-21)22-3-2-4-24(27(22)33)37-43(40,41)25-16-20(31)5-8-23(25)32/h2-5,8-9,12,15-16,18,21,37H,6-7,10-11,13-14H2,1H3,(H,34,35,39)","","2014-02-14","2014-12-05","N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide","2014-12-10"],["VOU","(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile","C22 H21 N3 O3","O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1;O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCCC4;c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccn4c3cc(c4)C#N","InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2","","2023-09-14","2023-11-03","(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile","2023-11-08"],["CQF","(6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine","C22 H21 Cl N6","Cn1cc(cn1)c2ccc3n4c(C)nnc4CC[CH](Nc5ccc(Cl)cc5)c3c2;Cc1nnc2n1-c3ccc(cc3C(CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C","InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1","","2019-05-13","2019-09-13","(6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine","2019-09-18"],["CQG","pyridin-4-ol","C5 H5 N O","c1cnccc1O;Oc1ccncc1;c1cnccc1O","InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)","","2017-09-28","2018-09-28","pyridin-4-ol","2018-10-03"],["VOV","harderoheme (III)","C35 H34 Fe N4 O6","CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(CCC(O)=O)C5=CC1=N2)C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O","InChI=1S/C35H36N4O6.Fe/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25;/h6,13-16H,1,7-12H2,2-5H3,(H5,36,37,38,39,40,41,42,43,44,45);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2018-03-12","2019-07-05","","2019-07-10"],["VOW","(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron","C8 H11 B O3","CCOc1ccc(cc1)B(O)O;CCOc1ccc(cc1)B(O)O;B(c1ccc(cc1)OCC)(O)O","InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3","","2022-09-02","2022-10-28","(4-ethoxyphenyl)boronic acid","2022-11-02"],["CQH","5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate","C26 H29 N3 O4 S","CCCc1ccccc1NC(=O)[CH](CC(C)C)NC(=O)c2ccc(CC3=[S+]C(=O)N=C3[O-])cc2;CCCc1ccccc1NC(=O)C(CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-]","InChI=1S/C26H29N3O4S/c1-4-7-18-8-5-6-9-20(18)27-24(31)21(14-16(2)3)28-23(30)19-12-10-17(11-13-19)15-22-25(32)29-26(33)34-22/h5-6,8-13,16,21H,4,7,14-15H2,1-3H3,(H2-,27,28,29,30,31,32,33)/t21-/m0/s1","","2017-12-02","2018-08-03","5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate","2018-08-08"],["VOX","~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide","C35 H52 N6 O6","C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O;Cc1ccc(cc1)NNc2ccc(cc2)CCCCCCC(=O)NC(C(C)O)C(=O)NC3CC(CCNC(=O)CCC(NC3=O)C)O","InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1","","2023-03-22","2024-09-27","~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide","2023-12-27"],["CQI","[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","C32 H60 O12 S","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC","InChI=1S/C32H60O12S/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-20-27(33)41-22-25(43-28(34)21-18-8-6-4-2)23-42-32-31(37)30(36)29(35)26(44-32)24-45(38,39)40/h25-26,29-32,35-37H,3-24H2,1-2H3,(H,38,39,40)/t25-,26-,29-,30+,31-,32+/m1/s1","sulfoquinovosyl diacylglycerol","2021-12-14","2022-08-22","[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-2-heptanoyloxy-3-hexadecanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","2022-04-13"],["VOY","(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide","C31 H30 N8 O3","CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N;CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2cc1NC(=O)C=CCN(C)C;CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5","InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+","","2020-08-31","2024-09-27","(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide","2021-09-08"],["CQJ","4-methylpyridin-2-ol","C6 H7 N O","c1(O)cc(ccn1)C;Cc1ccnc(O)c1;Cc1ccnc(c1)O","InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)","","2017-09-28","2018-09-28","4-methylpyridin-2-ol","2018-10-03"],["CQK","~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide","C7 H6 N6 O2","ONC(=O)c1cc(ccn1)c2n[nH]nn2;c1cnc(cc1c2n[nH]nn2)C(=O)NO","InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13)","","2017-12-03","2018-12-07","~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide","2018-12-12"],["VOZ","(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone","C21 H21 N3 O","O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5;c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5","InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2","","2023-08-02","2023-12-01","(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone","2023-12-06"],["VP0","[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid","C13 H15 N O3","O=C(O)CC1c2ccccc2CCN1C(C)=O;CC(=O)N1CCc2ccccc2[CH]1CC(O)=O;CC(=O)N1CCc2ccccc2C1CC(=O)O","InChI=1S/C13H15NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)/t12-/m0/s1","","2022-09-02","2022-10-28","[(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid","2022-11-02"],["CQL","5-chloro-7-iodoquinolin-8-ol","C9 H5 Cl I N O","Ic1c(O)c2ncccc2c(Cl)c1;Oc1c(I)cc(Cl)c2cccnc12;c1cc2c(cc(c(c2nc1)O)I)Cl","InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H","Clioquinol","2009-10-28","2021-03-01","5-chloro-7-iodoquinolin-8-ol",""],["CQM","Citramalyl-CoA","C26 H42 N7 O20 P3 S","C(C(SCCNC(CCNC(C(C(COP(OP(=O)(O)OCC1OC(C(C1OP(O)(O)=O)O)n2cnc3c2ncnc3N)(O)=O)(C)C)O)=O)=O)=O)C(C(O)=O)(C)O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[C](C)(O)C(O)=O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(C(=O)O)O)O","InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26+/m1/s1","","2017-09-29","2018-07-27","(3R,5R,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)","2018-08-01"],["VP1","Fluorenylmethyloxycarbonyl chloride","C15 H11 Cl O2","ClC(=O)OCC1c2ccccc2c3ccccc13;c1ccc2c(c1)-c3ccccc3C2COC(=O)Cl","InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2","","2023-03-22","2024-09-27","9~{H}-fluoren-9-ylmethyl carbonochloridate","2024-02-21"],["VP2","3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide","C20 H17 F2 N3 O3","FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N;FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N;c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cccn3c2cc(c3)C#N","InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)","","2023-09-14","2023-11-03","3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide","2023-11-08"],["CQN","Bepridil","C24 H34 N2 O","CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CCCC3;CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3","InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m1/s1","","2017-12-03","2017-12-29","~{N}-[(2~{R})-3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-~{N}-(phenylmethyl)aniline","2018-01-03"],["CQO","3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine","C18 H20 N2 O2 S","COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1;COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN","InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3","","2019-05-14","2019-11-15","3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine","2019-11-20"],["VP3","4-(4-fluorophenyl)-4-oxobutanoic acid","C10 H9 F O3","O=C(CCC(=O)O)c1ccc(F)cc1;OC(=O)CCC(=O)c1ccc(F)cc1;c1cc(ccc1C(=O)CCC(=O)O)F","InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)","","2022-09-02","2022-10-28","4-(4-fluorophenyl)-4-oxobutanoic acid","2022-11-02"],["VP4","N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide","C21 H23 Cl N4 O2","CN(c1cc(ccc1Cl)NC(=O)C(C)Nc2ccc3c(c2)cc(cn3)CO)C;C[CH](Nc1ccc2ncc(CO)cc2c1)C(=O)Nc3ccc(Cl)c(c3)N(C)C;CC(C(=O)Nc1ccc(c(c1)N(C)C)Cl)Nc2ccc3c(c2)cc(cn3)CO","InChI=1S/C21H23ClN4O2/c1-13(21(28)25-17-4-6-18(22)20(10-17)26(2)3)24-16-5-7-19-15(9-16)8-14(12-27)11-23-19/h4-11,13,24,27H,12H2,1-3H3,(H,25,28)/t13-/m0/s1","","2020-08-31","2025-01-10","N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide","2025-01-15"],["CQP","(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE","C21 H22 Cl N3 O3 S","O=S(=O)(c2c1ccncc1ccc2)NCC4NCC(OCc3ccc(Cl)cc3)C4;Clc1ccc(CO[CH]2CN[CH](CN[S](=O)(=O)c3cccc4cnccc34)C2)cc1;c1cc2cnccc2c(c1)S(=O)(=O)NCC3CC(CN3)OCc4ccc(cc4)Cl","InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1","","2005-09-12","2011-06-04","N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide",""],["VP5","(3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid","C6 H11 N O5","O[CH]1[CH](CNCC1(O)O)C(O)=O;C1C(C(C(CN1)(O)O)O)C(=O)O","InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1","","2023-03-23","2024-01-05","(3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid","2024-01-10"],["CQQ","4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide","C28 H29 N7 O2","O=C(Nc1ccc(cc1)C(=O)Nc4cc(Nc2nc(ccn2)c3cccnc3)ccc4)CCCN(C)C;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3nccc(n3)c4cccnc4)c2;CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4","InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)","","2011-12-28","2024-09-27","4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide",""],["VP6","(3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone","C21 H23 F N4 O2","CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3;CC(C)(c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(c(c4C3)F)N)O","InChI=1S/C21H23FN4O2/c1-21(2,28)14-6-5-12-8-17(25-16(12)9-14)20(27)26-7-3-4-13-10-24-19(23)18(22)15(13)11-26/h5-6,8-10,25,28H,3-4,7,11H2,1-2H3,(H2,23,24)","","2023-08-02","2023-12-01","(3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1~{H}-indol-2-yl]methanone","2023-12-06"],["CQR","[(4Z)-2-(AMINOMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C13 H13 N3 O4","O=C1C(N=C(N1CC(=O)O)CN)=Cc2ccc(O)cc2;NCC1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)O","InChI=1/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-/f/h18H","CHROMOPHORE (GLY-TYR-GLY)","2006-03-08","2009-09-09","{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["VP7","4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol","C20 H20 N4 O","n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O)cc4;CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1;CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O","InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)","","2020-08-31","2021-05-14","4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol","2021-05-19"],["CQS","2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide","C15 H17 N7 O3 S","C(NCCc1ccc(cc1)S(N)(=O)=O)(Cn3cnc2c3ncnc2N)=O;Nc1ncnc2n(CC(=O)NCCc3ccc(cc3)[S](N)(=O)=O)cnc12;c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N","InChI=1S/C15H17N7O3S/c16-14-13-15(20-8-19-14)22(9-21-13)7-12(23)18-6-5-10-1-3-11(4-2-10)26(17,24)25/h1-4,8-9H,5-7H2,(H,18,23)(H2,16,19,20)(H2,17,24,25)","","2017-09-29","2018-08-31","2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide","2018-09-05"],["VP8","(3-ethoxyphenyl)boronic acid","C8 H11 B O3","CCOc1cccc(c1)B(O)O;CCOc1cccc(c1)B(O)O;B(c1cccc(c1)OCC)(O)O","InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3","","2022-09-02","2022-10-28","(3-ethoxyphenyl)boronic acid","2022-11-02"],["CQT","~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide","C14 H19 N7 O2","O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3;c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3","InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20)","","2017-12-03","2018-12-07","~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide","2018-12-12"],["VP9","4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione","C14 H13 N3 O5","COc1ccc(N)c2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12;COc1ccc(c2c1C(=O)N(C2=O)C3CCC(=O)NC3=O)N","InChI=1S/C14H13N3O5/c1-22-8-4-2-6(15)10-11(8)14(21)17(13(10)20)7-3-5-9(18)16-12(7)19/h2,4,7H,3,5,15H2,1H3,(H,16,18,19)/t7-/m0/s1","","2023-03-24","2023-07-14","4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione","2023-07-19"],["CQU","N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C15 H13 N7","n1c4c(c(nc1)Nc3ccccc3c2nnc(n2)C)ccn4;Cc1[nH]c(nn1)c2ccccc2Nc3ncnc4[nH]ccc34;Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3","InChI=1S/C15H13N7/c1-9-19-15(22-21-9)10-4-2-3-5-12(10)20-14-11-6-7-16-13(11)17-8-18-14/h2-8H,1H3,(H,19,21,22)(H2,16,17,18,20)","","2008-04-08","2011-06-04","N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine",""],["VPA","2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine","C19 H28 N2 O9","O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)C(O)C2O)C3OCC(O)C(O)C3O;O[CH]1CO[CH](OC[CH]2O[CH](NC(=N)Cc3ccccc3)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;c1ccc(cc1)CC(=N)NC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","InChI=1S/C19H28N2O9/c20-12(6-9-4-2-1-3-5-9)21-18-16(26)15(25)14(24)11(30-18)8-29-19-17(27)13(23)10(22)7-28-19/h1-5,10-11,13-19,22-27H,6-8H2,(H2,20,21)/t10-,11-,13+,14-,15+,16-,17-,18-,19+/m1/s1","2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e\nthanimidamide","2014-01-31","2020-06-17","N-[(1E)-2-phenylethanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine","2014-04-23"],["CQV","5-butylpyridine-2-carboxylic acid","C10 H13 N O2","C(c1ncc(CCCC)cc1)(O)=O;CCCCc1ccc(nc1)C(O)=O;CCCCc1ccc(nc1)C(=O)O","InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)","","2017-09-29","2018-09-28","5-butylpyridine-2-carboxylic acid","2018-10-03"],["VPB","(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile","C22 H21 N3 O4","O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1;O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCOCC4;c1ccc(c(c1)OCCC(=O)N2CCOCC2)Oc3cccn4c3cc(c4)C#N","InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2","","2023-09-14","2023-11-03","(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile","2023-11-08"],["CQW","5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","C12 H11 Cl N6","Clc4c1c(ncnc1N3Cc2ncnc2CC3)nc4;Clc1c[nH]c2ncnc(N3CCc4[nH]cnc4C3)c12;c1c(c2c([nH]1)ncnc2N3CCc4c(nc[nH]4)C3)Cl","InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)","","2008-04-15","2011-06-04","5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",""],["VPC","Phthalocyanine containing GA","C32 H16 Ga N8","[Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10;c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7","InChI=1S/C32H16N8.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2","Gallium(III)-phthalocyanine","2017-05-17","2020-06-17","","2017-12-06"],["CQX","(2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol","C18 H36 O7","CCCCCCCCCCOCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCOCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-23-11-12-24-18-17(22)16(21)15(20)14(13-19)25-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17+,18+/m1/s1","3-Oxatridecyl-alpha-D-mannopyranoside","2019-05-14","2020-06-17","(2~{S},3~{S},4~{S},5~{S},6~{R})-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol","2019-09-18"],["VPD","6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C19 H29 Cl N5 O9 P","C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O;COC[C](CO)(OC[CH]1O[CH]([CH](O)[CH]1O)n2ncc3c(NC4CCCC4)nc(Cl)nc23)[P](O)(O)=O;COCC(CO)(OCC1C(C(C(O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O","InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1","OP-0105244","2020-08-31","2021-03-01","6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2020-09-23"],["CQY","(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone","C21 H26 N4 O4 S","CCOc1c(scc1)C(N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N4CCCC4)=O;CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+]([O-])=O;CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-]","InChI=1S/C21H26N4O4S/c1-2-29-19-7-14-30-20(19)21(26)24-12-10-22(11-13-24)16-5-6-17(25(27)28)18(15-16)23-8-3-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3","","2017-10-02","2018-01-05","(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone","2018-01-10"],["VPE","(3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid","C9 H12 N2 O3 S","O=C(CC(C)CC(=O)O)Nc1nccs1;C[CH](CC(O)=O)CC(=O)Nc1sccn1;CC(CC(=O)Nc1nccs1)CC(=O)O","InChI=1S/C9H12N2O3S/c1-6(5-8(13)14)4-7(12)11-9-10-2-3-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)(H,10,11,12)/t6-/m0/s1","","2022-09-02","2022-10-28","(3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid","2022-11-02"],["CQZ","2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid","C9 H12 N2 O3","OCCCNc1cc(ccn1)C(O)=O;c1cnc(cc1C(=O)O)NCCCO","InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)","","2017-12-03","2018-12-07","2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid","2018-12-12"],["VPF","N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide","C22 H32 N3 O8 P","O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2;CC(C)[CH](NC(=O)CCC(O)=O)C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[P](O)(O)=O;CC(C)C(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O","InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1","","2012-02-10","2024-09-27","N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide","2013-01-18"],["CR","CHROMIUM ION","Cr","[Cr+3];[Cr+3];[Cr+3]","InChI=1S/Cr/q+3","","1999-07-08","2011-06-04","chromium(3+)",""],["VPG","6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C18 H20 Cl2 N5 O7 P","c1(c(cccc1)CNc2c3c(nc(n2)Cl)n(nc3)C4C(C(C(COCP(=O)(O)O)O4)O)O)Cl;O[CH]1[CH](O)[CH](O[CH]1COC[P](O)(O)=O)n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc23;c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)C4C(C(C(O4)COCP(=O)(O)O)O)O)Cl","InChI=1S/C18H20Cl2N5O7P/c19-11-4-2-1-3-9(11)5-21-15-10-6-22-25(16(10)24-18(20)23-15)17-14(27)13(26)12(32-17)7-31-8-33(28,29)30/h1-4,6,12-14,17,26-27H,5,7-8H2,(H,21,23,24)(H2,28,29,30)/t12-,13-,14-,17-/m1/s1","","2020-08-31","2020-09-18","6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2020-09-23"],["CR0","[2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE","C12 H21 N3 O5","O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C;CC(C)CC1=N[C](O)([CH](N)[CH](C)O)N(CC(O)=O)C1=O;CC(C)CC1=NC(N(C1=O)CC(=O)O)(C(C(C)O)N)O","InChI=1S/C12H21N3O5/c1-6(2)4-8-11(19)15(5-9(17)18)12(20,14-8)10(13)7(3)16/h6-7,10,16,20H,4-5,13H2,1-3H3,(H,17,18)/t7-,10+,12-/m1/s1","1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE; CHROMOPHORE (THR-LEU-GLY)","2004-02-05","2024-09-27","[(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde",""],["CR1","N-(methoxycarbonyl)-beta-D-glucopyranosylamine","C8 H15 N O7","O=C(OC)NC1OC(C(O)C(O)C1O)CO;COC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC(=O)NC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1","1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE; N-(methoxycarbonyl)-beta-D-glucosylamine;\nN-(methoxycarbonyl)-D-glucosylamine; N-(methoxycarbonyl)-glucosylamine","2000-09-15","2020-07-17","N-(methoxycarbonyl)-beta-D-glucopyranosylamine",""],["VPH","methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate","C8 H14 O6","COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1;COC(=O)C1CC(C(C(O1)CO)O)O","InChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1","","2023-03-24","2023-09-08","methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate","2023-09-13"],["VPI","[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","C17 H34 N3 O8 P","CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(=O)NCCCCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1","","2023-08-02","2024-09-27","[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","2023-11-01"],["CR2","{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C13 H13 N3 O4","O=C1C(N=C(N1CC(=O)O)CN)=Cc2ccc(O)cc2;NCC1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)O","InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-","CHROMOPHORE (GLY-TYR-GLY)","2003-01-03","2024-09-27","{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["VPJ","N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine","C17 H19 F N8 O S2","c2(NCC1CCCO1)nnc(s2)SCc4nc(Nc3ccc(cc3)F)nc(n4)N;Nc1nc(CSc2sc(NCC3CCCO3)nn2)nc(Nc4ccc(F)cc4)n1;c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F","InChI=1S/C17H19FN8OS2/c18-10-3-5-11(6-4-10)21-15-23-13(22-14(19)24-15)9-28-17-26-25-16(29-17)20-8-12-2-1-7-27-12/h3-6,12H,1-2,7-9H2,(H,20,25)(H3,19,21,22,23,24)","","2020-09-01","2021-07-09","N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine","2021-07-14"],["CR3","2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE","C20 H21 N3 O2","[O-]c4c(OC1CCCC1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cccc(OC4CCCC4)c3[O-];c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N","InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)","CRA_10433","2003-03-14","2020-06-17","2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate",""],["VPK","ethyl pyridin-3-ylcarbamate","C8 H10 N2 O2","O=C(OCC)Nc1cccnc1;CCOC(=O)Nc1cccnc1;CCOC(=O)Nc1cccnc1","InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)","","2022-09-02","2022-10-28","ethyl pyridin-3-ylcarbamate","2022-11-02"],["CR4","2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE","C14 H12 N4 O","[O-]c3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3[O-];c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]","InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)","CRA_1144","2003-03-14","2020-06-17","2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolate",""],["VPL","(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide","C7 H13 N O5","NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1;C1C(C(C(OC1C(=O)N)CO)O)O","InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1","","2023-03-24","2023-09-08","(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide","2023-09-13"],["CR5","(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM","C6 H10 N3 O5","O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN;NC[C]1(O)NC(=O)C(=[N+]1CC(O)=O)O;C(C(=O)O)[N+]1=C(C(=O)NC1(CN)O)O","InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1","","2003-09-22","2024-09-27","(2R)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium",""],["VPM","(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid","C7 H12 O5","O=C(O)C(O)(CC(=O)O)C(C)C;CC(C)[C](O)(CC(O)=O)C(O)=O;CC(C)C(CC(=O)O)(C(=O)O)O","InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1","","2014-03-04","2014-08-15","(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid","2014-08-20"],["CR6","1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE","C9 H16 N2 O7","O=C(NC1(OC(CO)C(O)C(O)C1O)C(=O)N)C;CC(=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)C(N)=O;CC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N","InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9+/m1/s1","","2000-09-15","2020-07-17","(2S,3R,4S,5S,6R)-2-(acetylamino)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred\nname)",""],["VPN","(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate","C45 H83 Br4 O13 P","OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC;CCCCCCCC[CH](Br)[CH](Br)CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC;CCCCCCCCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br","InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1","","2023-09-15","2024-05-03","(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate","2024-05-08"],["CR7","[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C17 H22 N4 O4","O=C1C(N=C(N1CC(=O)O)C(N)CCCCN)=Cc2ccc(O)cc2;NCCCC[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CCCCN)N)CC(=O)O)O","InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,9,13,22H,1-3,8,10,18-19H2,(H,23,24)/b14-9-/t13-/m0/s1","CHROMOPHORE (LYS-TYR-GLY)","2005-07-01","2024-09-27","{(4Z)-2-[(1S)-1,5-diaminopentyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["VPP","(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C23 H29 N5 O8 S","O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3;CCN1CCN(C(=O)N[CH](C(=O)N[CH]([CH]2N[CH](C(O)=O)C(C)(C)S2)C(O)=O)c3ccccc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)NC(C3NC(C(S3)(C)C)C(=O)O)C(=O)O","InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17+/m1/s1","(5S)-Penicilloic Acid","2013-07-18","2021-03-01","(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2013-11-06"],["CR8","2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE","C17 H16 N5 O4","O=C1C=C/C(C=C1)=Cc2nc(n(c2[O-])CC(=O)O)C(N)Cc3cncn3;N[CH](Cc1[nH]cnc1)c2nc(C=C3C=CC(=O)C=C3)c([O-])n2CC(O)=O;c1c([nH]cn1)CC(c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N","InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,26H,6,8,18H2,(H,19,20)(H,24,25)/p-1/t13-/m0/s1","CHROMOPHORE (HIS-TYR-GLY)","2005-06-14","2024-09-27","2-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-imidazol-5-olate",""],["VPQ","(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide","C7 H13 N O6","NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)C(=O)N)O)O)O)O","InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1","","2023-03-24","2023-09-08","(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide","2023-09-13"],["CR9","2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE","C21 H23 F N4 O2","[O-]c4c(OC1CCCCC1C)cccc4c3nc2cc(c(F)cc2n3)C(=[NH2+])N;C[CH]1CCCC[CH]1Oc2cccc(c2[O-])c3[nH]c4cc(F)c(cc4n3)C(N)=[NH2+];CC1CCCCC1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F","InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1","CRA_11092","2003-03-14","2024-09-27","2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolate",""],["CRA","1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE","C9 H16 N2 O8","O=C(OC)NC1(OC(CO)C(O)C(O)C1O)C(=O)N;COC(=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)C(N)=O;COC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N","InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1","","1999-07-08","2020-07-17","methyl [(2S,3R,4S,5S,6R)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate\n(non-preferred name)",""],["VPR","2-PROPYLPENTANAMIDE","C8 H17 N O","O=C(N)C(CCC)CCC;CCCC(CCC)C(N)=O;CCCC(CCC)C(=O)N","InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)","VALPROMIDE","2003-02-03","2020-06-17","2-propylpentanamide",""],["VPS","3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid","C17 H12 N6 O3","c2(nc(Nc1ccc(cc1)C#N)nc(n2)Oc3cccc(C(O)=O)c3)N;Nc1nc(Nc2ccc(cc2)C#N)nc(Oc3cccc(c3)C(O)=O)n1;c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O","InChI=1S/C17H12N6O3/c18-9-10-4-6-12(7-5-10)20-16-21-15(19)22-17(23-16)26-13-3-1-2-11(8-13)14(24)25/h1-8H,(H,24,25)(H3,19,20,21,22,23)","","2020-09-01","2021-07-09","3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid","2021-07-14"],["CRB","[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID","C8 H15 O8 P","O=C(O)C1(O)CC(O)C(O)C(CP(=O)(O)O)C1;O[CH]1C[C](O)(C[CH](C[P](O)(O)=O)[CH]1O)C(O)=O;C1C(C(C(CC1(C(=O)O)O)O)O)CP(=O)(O)O","InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6-,8+/m1/s1","CARBAPHOSPHONATE","1999-07-08","2020-06-17","(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexanecarboxylic acid",""],["VPT","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate","C20 H20 N6 O8 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(OCC#C)c4)[CH](O)[CH]3O;C#CCOc1cccc(c1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C20H20N6O8S/c1-2-6-32-12-5-3-4-11(7-12)19(29)25-35(30,31)33-8-13-15(27)16(28)20(34-13)26-10-24-14-17(21)22-9-23-18(14)26/h1,3-5,7,9-10,13,15-16,20,27-28H,6,8H2,(H,25,29)(H2,21,22,23)/t13-,15-,16-,20-/m1/s1","","2023-08-02","2024-07-26","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate","2024-07-31"],["CRC","CAPRIC ACID","C10 H20 O2","O=C(O)CCCCCCCCC;CCCCCCCCCC(O)=O;CCCCCCCCCC(=O)O","InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/f/h11H","","2000-08-21","2008-10-14","decanoic acid",""],["VPU","[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate","C18 H25 N3 O7","O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2;CCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2;CCCCC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O","InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1","N-Valeryl-PUGNAc","2009-04-15","2021-03-01","N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]pentanamide (non-preferred name)",""],["CRD","(2E)-BUT-2-ENAL","C4 H6 O","O=C/C=C/C;CC=CC=O;CC=CC=O","InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+","CROTONALDEHYDE","2003-03-19","2024-09-27","(2E)-but-2-enal",""],["CRE","GERMACRENE A","C15 H24","C1(=CCCC(=CCC(C(=C)C)CC1)C)C;CC(=C)[CH]1CCC(=CCCC(=CC1)C)C;CC1=CCCC(=CCC(CC1)C(=C)C)C","InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/t15-/m1/s1","8-ISOPROPENYL-1,5-DIMETHYL-CYCLODECA-1,5-DIENE","2000-06-08","2021-03-13","(1Z,5E,8R)-1,5-dimethyl-8-(1-methylethenyl)cyclodeca-1,5-diene",""],["VPV","(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid","C13 H22 N2 O7","C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O;N[CH](CCCCN=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O;C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O)N","InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1","","2020-09-02","2024-09-27","(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid","2021-09-22"],["VPW","4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine","C11 H12 Cl N","Clc1ccc(cc1)C1=CCNCC1;Clc1ccc(cc1)C2=CCNCC2;c1cc(ccc1C2=CCNCC2)Cl","InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2","","2022-09-02","2022-10-28","4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine","2022-11-02"],["CRF","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C17 H18 N4 O4","C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O","InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1","","2003-09-08","2024-09-27","2-[2-[(1R,2R)-1-azanyl-2-hydroxy-propyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid",""],["VPX","ethyl\n[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur\nan-6-yl]carbamate","C29 H33 F N2 O4","Fc1cccc(c1)c2ccc(nc2)C=CC4C3C(CC(NC(=O)OCC)CC3)CC5C(=O)OC(C45)C;CCOC(=O)N[CH]1CC[CH]2[CH](C1)C[CH]3[CH]([CH](C)OC3=O)[CH]2C=Cc4ccc(cn4)c5cccc(F)c5;CCOC(=O)NC1CCC2C(C1)CC3C(C2C=Cc4ccc(cn4)c5cccc(c5)F)C(OC3=O)C","InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1","vorapaxar","2012-08-23","2020-06-17","ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate","2012-12-07"],["CRG","[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID","C12 H15 N5 O4","O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ncnc2;C[CH](O)[CH](N)C1=NC(=Cc2c[nH]cn2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2c[nH]cn2)C(=O)N1CC(=O)O)N)O","InChI=1S/C12H15N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h2-3,5-6,10,18H,4,13H2,1H3,(H,14,15)(H,19,20)/b8-2-/t6-,10+/m1/s1","","2002-02-20","2024-09-27","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-imidazol-4-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["CRH","1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE","C21 H24 O7","O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C)C3;CO[CH]([CH]1CC(=O)c2c(O)c3c(O)c(C)ccc3cc2C1)C(=O)[CH](O)[CH](C)O;Cc1ccc2cc3c(c(c2c1O)O)C(=O)CC(C3)C(C(=O)C(C(C)O)O)OC","InChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-6,10,13,18,21-22,24-26H,7-8H2,1-3H3/t10-,13-,18+,21+/m1/s1","","1999-07-08","2011-06-04","(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose",""],["VPY","S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate","C23 H38 O3 S","S(C(=O)CCC[C@H]=CC[C@H]=CCC=[C@H]C[C@H]=[C@H]CCCCC)CC(O)CO;CCCCCC=CCC=CCC=CCC=CCCCC(=O)SC[CH](O)CO;CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCC(CO)O","InChI=1S/C23H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1","","2020-09-02","2021-03-05","S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate","2021-03-10"],["CRI","5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE","C24 H23 N3 O4","O=C(c1ccc(cc1)C)Nc3cc(C(=O)N(C)C)cc(c2ccc(C(=O)NO)cc2)c3;CN(C)C(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(c1)c3ccc(cc3)C(=O)NO;Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO","InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29)","","2004-05-19","2011-06-04","N~4~'-hydroxy-N~3~,N~3~-dimethyl-5-{[(4-methylphenyl)carbonyl]amino}biphenyl-3,4'-dicarboxamide",""],["VPZ","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol","C17 H15 Cl2 F N4 O4 S2","OC[CH]1O[CH](Sc2cc(Cl)c(F)c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4sccn4;c1csc(n1)c2cn(nn2)C3C(C(OC(C3O)Sc4cc(c(c(c4)Cl)F)Cl)CO)O","InChI=1S/C17H15Cl2FN4O4S2/c18-8-3-7(4-9(19)12(8)20)30-17-15(27)13(14(26)11(6-25)28-17)24-5-10(22-23-24)16-21-1-2-29-16/h1-5,11,13-15,17,25-27H,6H2/t11-,13+,14+,15-,17-/m1/s1","","2023-03-24","2024-06-07","(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol","2024-06-12"],["VQ0","3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile","C19 H12 Cl3 N3 O4","N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O;Clc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCN3C=C(Cl)C(=O)NC3=O)c1;c1cc(c(cc1Cl)OCCN2C=C(C(=O)NC2=O)Cl)Oc3cc(cc(c3)Cl)C#N","InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27)","","2023-09-15","2023-11-03","3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile","2023-11-08"],["CRJ","N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH\nYL]-L-ALANINAMIDE","C20 H22 F4 N4 O4 S","O=C3NC(CS(=O)(=O)CC(C(=O)NC1(C#N)CC1)NC(c2ccc(F)cc2)C(F)(F)F)CC3;Fc1ccc(cc1)[CH](N[CH](C[S](=O)(=O)C[CH]2CCC(=O)N2)C(=O)NC3(CC3)C#N)C(F)(F)F;c1cc(ccc1C(C(F)(F)F)NC(CS(=O)(=O)CC2CCC(=O)N2)C(=O)NC3(CC3)C#N)F","InChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1","N-(1-CYANO-CYCLOPROPYL)-3-(5-OXO-PYRROLIDIN-2-YLMETHANESULFONYL)-2-[2,2,2-TR\nIFLUORO-1-(4-FLUORO-PHENYL)-ETHYLAMINO]-PROPIONAMIDE","2006-01-25","2024-09-27","N-(1-cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide",""],["CRK","4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE","C16 H15 N2 O5 S","O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC;CSCCC(=O)C1=NC(=Cc2ccc([O-])cc2)C(=O)N1CC(O)=O;CSCCC(=O)C1=NC(=Cc2ccc(cc2)[O-])C(=O)N1CC(=O)O","InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+","","2004-10-11","2024-09-27","4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate",""],["VQ1","N-Acetylpuromycin","C24 H31 N7 O6","C2(C(NC(C(NC(C)=O)Cc1ccc(OC)cc1)=O)C(CO)OC2n3cnc4c3ncnc4N(C)C)O;COc1ccc(C[CH](NC(C)=O)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1;CC(=O)NC(Cc1ccc(cc1)OC)C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N(C)C)CO","InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1","3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine","2020-09-04","2021-03-13","3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine","2021-03-17"],["VQ2","[4-(diethylcarbamoyl)phenyl]boronic acid","C11 H16 B N O3","O=C(N(CC)CC)c1ccc(cc1)B(O)O;CCN(CC)C(=O)c1ccc(cc1)B(O)O;B(c1ccc(cc1)C(=O)N(CC)CC)(O)O","InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3","","2022-09-02","2022-10-28","[4-(diethylcarbamoyl)phenyl]boronic acid","2022-11-02"],["CRL","N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE","C17 H30 N4 O5 S Si","O=S2(=O)CCC(C#N)(NC(=O)C(NC(=O)N1CCOCC1)C[Si](C)(C)C)CC2;C[Si](C)(C)C[CH](NC(=O)N1CCOCC1)C(=O)NC2(CC[S](=O)(=O)CC2)C#N;C[Si](C)(C)CC(C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2","InChI=1S/C17H30N4O5SSi/c1-28(2,3)12-14(19-16(23)21-6-8-26-9-7-21)15(22)20-17(13-18)4-10-27(24,25)11-5-17/h14H,4-12H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1","","2006-01-31","2024-09-27","N-{(1R)-2-[(4-cyano-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide",""],["VQ5","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate","C18 H19 Cl N6 O7 S","Cc1c(Cl)cccc1C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;Cc1c(cccc1Cl)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H19ClN6O7S/c1-8-9(3-2-4-10(8)19)17(28)24-33(29,30)31-5-11-13(26)14(27)18(32-11)25-7-23-12-15(20)21-6-22-16(12)25/h2-4,6-7,11,13-14,18,26-27H,5H2,1H3,(H,24,28)(H2,20,21,22)/t11-,13-,14-,18-/m1/s1","","2023-08-03","2024-07-26","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate","2024-07-31"],["CRM","3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID","C14 H18 N4 O9","O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CN1C(=O)C(=NC2=C1NC(=O)NC2=O)CCC(O)=O;C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O","InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1","CARBOXYETHYLLUMAZINE","2002-02-13","2021-03-01","1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2H)-yl]-1-deoxy-D-ribitol",""],["VQ6","(2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid","C11 H11 F2 N O2","OC(=O)C(NC1CC1)c1c(F)cccc1F;OC(=O)[CH](NC1CC1)c2c(F)cccc2F;c1cc(c(c(c1)F)C(C(=O)O)NC2CC2)F","InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1","","2022-09-02","2022-10-28","(2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid","2022-11-02"],["CRN","N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE","C4 H9 N3 O2","O=C(O)CN(C(=[N@H])N)C;CN(CC(O)=O)C(N)=N;CN(CC(=O)O)C(=N)N","InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)","CREATINE","2003-12-30","2021-03-01","N-carbamimidoyl-N-methylglycine",""],["VQ7","6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one","C23 H19 Cl F5 N3 O5 S","CN1C(=O)N=C(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)C=C1N4CC[S](=O)(=O)CC4;CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4","InChI=1S/C23H19ClF5N3O5S/c1-31-20(32-4-6-38(34,35)7-5-32)11-19(30-22(31)33)36-12-13-8-17(25)21(18(26)9-13)37-14-2-3-16(24)15(10-14)23(27,28)29/h2-3,8-11H,4-7,12H2,1H3","","2016-02-25","2016-06-10","6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one","2016-06-15"],["CRO","{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C15 H17 N3 O5","O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(O)cc2;C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N)O","InChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","1999-07-08","2024-09-27","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["CRP","((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE","C15 H18 Cl3 N O","O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl;CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2;CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl","InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1","CARPROPAMID","1999-07-08","2020-06-17","(1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide",""],["VQ8","hybrid cluster","Fe4 O3 S2","O1[Fe]O[Fe]2O[Fe](S[Fe]1)S2;O1[Fe]O[Fe]2S[Fe]3[S]2[Fe]1O3","InChI=1S/4Fe.3O.2S","","2023-03-27","2023-04-14","","2023-04-19"],["VQ9","2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide","C26 H27 F3 N4 O5 S2","CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F)[S](C)(=O)=O;CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F)S(=O)(=O)C","InChI=1S/C26H27F3N4O5S2/c1-31(39(2,35)36)24-9-4-3-8-23(24)25(34)30-20-10-12-22(13-11-20)40(37,38)33-16-14-32(15-17-33)21-7-5-6-19(18-21)26(27,28)29/h3-13,18H,14-17H2,1-2H3,(H,30,34)","","2023-09-18","2024-04-12","2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide","2024-04-17"],["CRQ","[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID","C16 H16 N4 O5","O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=Cc2ccc(O)cc2;NC(=O)CCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O","InChI=1S/C16H16N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,17,21H,5-6,8H2,(H2,18,22)(H,23,24)/b12-7-,17-11+","CHROMOPHORE (GLN-TYR-GLY)","2000-10-19","2024-09-27","[(4Z)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["VQA","10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid","C32 H40 O3","c4ccc(C(=C)/C31C(CC(CCCCCCCCCC(O)=O)=C1c2ccccc2)C(O)CC3)cc4;O[CH]1CC[C]2([CH]1CC(=C2c3ccccc3)CCCCCCCCCC(O)=O)C(=C)c4ccccc4;C=C(c1ccccc1)C23CCC(C2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O","InChI=1S/C32H40O3/c1-24(25-15-10-7-11-16-25)32-22-21-29(33)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30(34)35/h7-8,10-13,15-18,28-29,33H,1-6,9,14,19-23H2,(H,34,35)/t28-,29+,32-/m0/s1","","2020-09-08","2022-02-25","10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid","2022-03-02"],["CRR","3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID","C22 H15 N3 O4","O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5;OC(=O)c1[nH]c(C(O)=O)c(c2c[nH]c3ccccc23)c1c4c[nH]c5ccccc45;c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5","InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)","CHROMOPYRROLIC ACID","2007-06-07","2020-06-17","3,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid",""],["CRS","M-CRESOL","C7 H8 O","Oc1cc(ccc1)C;Cc1cccc(O)c1;Cc1cccc(c1)O","InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3","","1999-07-08","2011-06-04","3-methylphenol",""],["VQB","4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine","C8 H11 Cl N4","Nc1c(ncnc1Cl)N1CCCC1;Nc1c(Cl)ncnc1N2CCCC2;c1nc(c(c(n1)Cl)N)N2CCCC2","InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2","","2022-09-02","2022-10-28","4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine","2022-11-02"],["VQC","[(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate","C19 H29 N O4 S","C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]1CCC2=O;CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)N)C","InChI=1S/C19H29NO4S/c1-18-9-7-13(24-25(20,22)23)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H2,20,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1","","2023-03-28","2024-04-05","[(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["CRT","SPIRILLOXANTHIN","C42 H60 O2","O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C)C)C)C;COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC;CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C=CCC(C)(C)OC","InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+","RHODOVIOLASCIN","1999-07-08","2020-06-17","(3E,3'E,15cis)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene",""],["VQD","(3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide","C27 H25 F2 N5 O4","c1c5c(ccc1)ccc(CC(CC(=O)NO)n2cc(nn2)C3COCCN3C(=O)c4ccc(c(c4)F)F)c5;ONC(=O)C[CH](Cc1ccc2ccccc2c1)n3cc(nn3)[CH]4COCCN4C(=O)c5ccc(F)c(F)c5;c1ccc2cc(ccc2c1)CC(CC(=O)NO)n3cc(nn3)C4COCCN4C(=O)c5ccc(c(c5)F)F","InChI=1S/C27H25F2N5O4/c28-22-8-7-20(13-23(22)29)27(36)33-9-10-38-16-25(33)24-15-34(32-30-24)21(14-26(35)31-37)12-17-5-6-18-3-1-2-4-19(18)11-17/h1-8,11,13,15,21,25,37H,9-10,12,14,16H2,(H,31,35)/t21-,25+/m1/s1","","2020-09-08","2021-09-17","(3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide","2021-09-22"],["CRU","4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID","C16 H15 N3 O6","O=C1C(N=C(C(=[N@H])CCC(=O)O)N1CC(=O)O)=C/c2ccc(O)cc2;OC(=O)CCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)O)CC(=O)O)O","InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,17,20H,5-6,8H2,(H,21,22)(H,23,24)/b12-7+,17-11-","CHROMOPHORE (GLU-TYR-GLY)","2005-03-03","2024-09-27","(4Z)-4-[(4E)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-4-iminobutanoic acid",""],["VQE","(1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine","C16 H25 N5","CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3n1;CCC(CC)c1cc(n2c(n1)ccn2)NC3CCC(C3)N","InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3","","2023-08-03","2023-12-01","(1~{S},3~{S})-~{N}3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine","2023-12-06"],["CRV","N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE","C22 H26 F3 N3 O4 S","O=C(NC1(CN)CC1)C(NC(c2ccc(O)cc2)C(F)(F)F)CS(=O)(=O)Cc3ccccc3;NCC1(CC1)NC(=O)[CH](C[S](=O)(=O)Cc2ccccc2)N[CH](c3ccc(O)cc3)C(F)(F)F;c1ccc(cc1)CS(=O)(=O)CC(C(=O)NC2(CC2)CN)NC(c3ccc(cc3)O)C(F)(F)F","InChI=1S/C22H26F3N3O4S/c23-22(24,25)19(16-6-8-17(29)9-7-16)27-18(20(30)28-21(14-26)10-11-21)13-33(31,32)12-15-4-2-1-3-5-15/h1-9,18-19,27,29H,10-14,26H2,(H,28,30)/t18-,19-/m0/s1","","2006-02-08","2024-09-27","N-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-L-alaninamide",""],["CRW","[2-(1-AMINOETHYL)-4-METHYLENE-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C8 H11 N3 O3","O=C1C(N=C(N1CC(=O)O)C(N)C)=C;C[CH](N)C1=NC(=C)C(=O)N1CC(O)=O;CC(C1=NC(=C)C(=O)N1CC(=O)O)N","InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1","CHROMOPHORE (ALA-SER-GLY)","2005-02-03","2011-08-06","{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["VQF","(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione","C9 H15 N3 O2","CN1C(=O)C(CCC)C(=N)N(C)C1=O;CCC[CH]1C(=N)N(C)C(=O)N(C)C1=O;CCCC1C(=N)N(C(=O)N(C1=O)C)C","InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1","","2022-09-02","2022-10-28","(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione","2022-11-02"],["VQG","3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide","C25 H27 F2 N5 O3","C(=O)(NO)CC(Cc1ccc2c(c1)CCCC2)n3cc(nn3)C(C)NC(=O)c4ccc(c(F)c4)F;C[CH](NC(=O)c1ccc(F)c(F)c1)c2cn(nn2)[CH](CC(=O)NO)Cc3ccc4CCCCc4c3;CC(c1cn(nn1)C(Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F","InChI=1S/C25H27F2N5O3/c1-15(28-25(34)19-8-9-21(26)22(27)12-19)23-14-32(31-29-23)20(13-24(33)30-35)11-16-6-7-17-4-2-3-5-18(17)10-16/h6-10,12,14-15,20,35H,2-5,11,13H2,1H3,(H,28,34)(H,30,33)/t15-,20+/m0/s1","","2020-09-08","2021-09-17","3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide","2021-09-22"],["CRX","[2-(1-AMINOETHYL)-2-HYDROXY-4-METHYLENE-5-OXOIMIDAZOLIDIN-1-YL]ACETIC ACID","C8 H13 N3 O4","O=C(O)CN1C(=O)/C(NC1(O)C(N)C)=C;C[CH](N)[C]1(O)NC(=C)C(=O)N1CC(O)=O;CC(C1(NC(=C)C(=O)N1CC(=O)O)O)N","InChI=1S/C8H13N3O4/c1-4-7(14)11(3-6(12)13)8(15,10-4)5(2)9/h5,10,15H,1,3,9H2,2H3,(H,12,13)/t5-,8+/m0/s1","CHROMOPHORE (ALA-SER-GLY)","2005-01-28","2024-09-27","{(2R)-2-[(1S)-1-aminoethyl]-2-hydroxy-4-methylidene-5-oxoimidazolidin-1-yl}acetic acid",""],["CRY","PROPANE-1,2,3-TRIOL","C3 H8 O3","OCC(O)CO;OCC(O)CO;C(C(CO)O)O","InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","GLYCEROL","1999-11-19","2008-10-14","propane-1,2,3-triol",""],["VQH","[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","C20 H31 N O4 S","C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]1CC[CH]2C=O;CC12CCC3C(C1CCC2C=O)CC=C4C3(CCC(C4)OS(=O)(=O)N)C","InChI=1S/C20H31NO4S/c1-19-9-7-15(25-26(21,23)24)11-13(19)3-5-16-17-6-4-14(12-22)20(17,2)10-8-18(16)19/h3,12,14-18H,4-11H2,1-2H3,(H2,21,23,24)/t14-,15+,16+,17+,18+,19+,20-/m1/s1","","2023-03-28","2024-04-05","[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["VQI","(E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid","C23 H27 N O3","CC(C)CN1CCc2cc(O)c(C)cc2[CH]1c3ccc(C=CC(O)=O)cc3;Cc1cc2c(cc1O)CCN(C2c3ccc(cc3)C=CC(=O)O)CC(C)C","InChI=1S/C23H27NO3/c1-15(2)14-24-11-10-19-13-21(25)16(3)12-20(19)23(24)18-7-4-17(5-8-18)6-9-22(26)27/h4-9,12-13,15,23,25H,10-11,14H2,1-3H3,(H,26,27)/b9-6+/t23-/m1/s1","","2015-12-14","2016-02-05","(E)-3-[4-[(1R)-7-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid","2016-02-10"],["CRZ","4-(9H-CARBAZOL-9-YL)BUTANOIC ACID","C16 H15 N O2","O=C(O)CCCn3c1ccccc1c2c3cccc2;OC(=O)CCCn1c2ccccc2c3ccccc13;c1ccc2c(c1)c3ccccc3n2CCCC(=O)O","InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)","CARBAZOLE BUTANOIC ACID","2004-06-22","2020-06-17","4-(9H-carbazol-9-yl)butanoic acid",""],["CS","CESIUM ION","Cs","[Cs+];[Cs+];[Cs+]","InChI=1S/Cs/q+1","","1999-07-08","2011-06-04","caesium",""],["VQJ","3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide","C23 H20 F2 N6 O3","c4c3ccc(CC(CC(=O)NO)n2cc(CNC(=O)c1ccc(c(c1)F)F)nn2)cc3ncc4;ONC(=O)C[CH](Cc1ccc2cccnc2c1)n3cc(CNC(=O)c4ccc(F)c(F)c4)nn3;c1cc2ccc(cc2nc1)CC(CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F","InChI=1S/C23H20F2N6O3/c24-19-6-5-16(10-20(19)25)23(33)27-12-17-13-31(30-28-17)18(11-22(32)29-34)8-14-3-4-15-2-1-7-26-21(15)9-14/h1-7,9-10,13,18,34H,8,11-12H2,(H,27,33)(H,29,32)/t18-/m1/s1","","2020-09-08","2021-09-17","3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide","2021-09-22"],["VQK","N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide","C24 H18 Cl2 N2 O3","Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1;Clc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCc3cccc(NC(=O)C=C)c3)c1;C=CC(=O)Nc1cccc(c1)CCOc2cc(ccc2Oc3cc(cc(c3)Cl)C#N)Cl","InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29)","","2023-09-15","2023-11-03","N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide","2023-11-08"],["CS0","S-(2-HYDROXYETHYL)-L-CYSTEINE","C5 H11 N O3 S","O=C(O)C(N)CSCCO;N[CH](CSCCO)C(O)=O;C(CSCC(C(=O)O)N)O","InChI=1/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H","","2008-03-25","2009-01-07","S-(2-hydroxyethyl)-L-cysteine",""],["VQL","(6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine","C8 H9 N5 S2","Cc1nc(cs1)c1nc(SC)nc(N)n1;CSc1nc(N)nc(n1)c2csc(C)n2;Cc1nc(cs1)c2nc(nc(n2)SC)N","InChI=1S/C8H9N5S2/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13)","","2022-09-02","2022-10-28","(6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine","2022-11-02"],["CS1","S-(2-ANILINYL-SULFANYL)-CYSTEINE","C9 H12 N2 O2 S2","O=C(O)C(N)CSSc1ccccc1N;N[CH](CSSc1ccccc1N)C(O)=O;c1ccc(c(c1)N)SSCC(C(=O)O)N","InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1","3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE","2007-02-02","2024-09-27","3-[(2-aminophenyl)disulfanyl]-L-alanine",""],["VQN","(phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C46 H57 F N8 O9","CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=CC(=O)N3CCN(CC3)CC4CCN(CC4)c5cc6C(=O)N([CH]7CCC(=O)NC7=O)C(=O)c6cc5F;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=CC(=O)N2CCN(CC2)CC3CCN(CC3)c4cc5c(cc4F)C(=O)N(C5=O)C6CCC(=O)NC6=O)NC(=O)OCc7ccccc7","InChI=1S/C46H57FN8O9/c1-28(2)22-36(50-46(63)64-27-30-6-4-3-5-7-30)42(59)49-32(23-31-12-15-48-41(31)58)8-11-40(57)54-20-18-52(19-21-54)26-29-13-16-53(17-14-29)38-25-34-33(24-35(38)47)44(61)55(45(34)62)37-9-10-39(56)51-43(37)60/h3-8,11,24-25,28-29,31-32,36-37H,9-10,12-23,26-27H2,1-2H3,(H,48,58)(H,49,59)(H,50,63)(H,51,56,60)/b11-8-/t31-,32-,36-,37-/m1/s1","","2023-03-28","2024-09-27","(phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","2024-01-17"],["CS2","D-MANNONIC ACID","C6 H12 O7","O=C(O)C(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(C(=O)O)O)O)O)O)O","InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1","D-MANNONATE","2007-07-18","2021-03-01","D-mannonic acid",""],["VQO","methanimidate","C H2 N O","[O-]C=N;C(=N)[O-]","InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1","","2023-08-04","2023-12-08","methanimidate","2023-12-13"],["CS3","S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE","C10 H13 N O3 S2","O=C(c1sccc1)CCSCC(C(=O)O)N;N[CH](CSCCC(=O)c1sccc1)C(O)=O;c1cc(sc1)C(=O)CCSCC(C(=O)O)N","InChI=1S/C10H13NO3S2/c11-7(10(13)14)6-15-5-3-8(12)9-2-1-4-16-9/h1-2,4,7H,3,5-6,11H2,(H,13,14)/t7-/m0/s1","(R)-2-AMINO-3-(3-OXO-3-(THIOPHEN-2-YL)PROPYLTHIO)PROPANOIC ACID","2007-02-07","2024-09-27","S-(3-oxo-3-thiophen-2-ylpropyl)-L-cysteine",""],["VQP","N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea","C23 H27 F2 N5 O2","c1(cc(c(cc1NC(NCCC(C)(C)C)=O)Nc3ccc2c(C(N(C)C=N2)=O)c3F)C)F;CN1C=Nc2ccc(Nc3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(F)c2C1=O;Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F","InChI=1S/C23H27F2N5O2/c1-13-10-14(24)18(29-22(32)26-9-8-23(2,3)4)11-17(13)28-16-7-6-15-19(20(16)25)21(31)30(5)12-27-15/h6-7,10-12,28H,8-9H2,1-5H3,(H2,26,29,32)","","2020-09-08","2021-05-21","N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea","2021-05-26"],["CS4","S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE","C12 H13 Cl2 N O3 S","Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl;N[CH](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O;c1cc(c(cc1C(=O)CCSCC(C(=O)O)N)Cl)Cl","InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1","(R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID","2007-02-07","2024-09-27","S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine",""],["VQQ","2-(5-chloro-2-methoxyphenyl)ethan-1-amine","C9 H12 Cl N O","COc1ccc(Cl)cc1CCN;COc1ccc(Cl)cc1CCN;COc1ccc(cc1CCN)Cl","InChI=1S/C9H12ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3","","2022-09-02","2022-10-28","2-(5-chloro-2-methoxyphenyl)ethan-1-amine","2022-11-02"],["CS5","N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE","C33 H41 F2 N3 O4","O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc3cc(OC)ccc3)C;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc(OC)c3;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(CNCc3cccc(c3)OC)O)C","InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1","","2007-07-23","2011-06-04","N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["VQR","methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate","C24 H35 N3 O6","COC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2;CC(C)CC(C(=O)NC(CCC(=O)OC)CC1CCNC1=O)NC(=O)OCc2ccccc2","InChI=1S/C24H35N3O6/c1-16(2)13-20(27-24(31)33-15-17-7-5-4-6-8-17)23(30)26-19(9-10-21(28)32-3)14-18-11-12-25-22(18)29/h4-8,16,18-20H,9-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t18-,19-,20-/m0/s1","","2023-03-28","2024-09-27","methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate","2024-01-17"],["CS7","N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE","C35 H43 F2 N3 O4","O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCC(OCc3ccccc3)C4)C;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3C[CH](CN3)OCc4ccccc4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CN3)OCc4ccccc4)O)C","InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1","","2007-07-26","2011-06-04","N'-[(1S,2R)-2-[(2R,4R)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["CS8","3-THIAOCTANOYL-COENZYME A","C28 H48 N7 O17 P3 S2","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CSCCCCC;CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCSCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C28H48N7O17P3S2/c1-4-5-6-10-56-13-19(37)57-11-9-30-18(36)7-8-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1","","2003-05-12","2011-06-04","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (pentylsulfanyl)ethanethioate (non-preferred name)",""],["VQS","N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea","C24 H31 N5 O4 S2","C1C(C1)S(C5(c3cc(nc(c2ccc(cc2)NC(=S)NCCO)n3)N4C(C)COCC4)CC5)(=O)=O;C[CH]1COCCN1c2cc(nc(n2)c3ccc(NC(=S)NCCO)cc3)C4(CC4)[S](=O)(=O)C5CC5;CC1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5","InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1","","2020-09-08","2021-09-17","N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea","2021-09-22"],["VQT","(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine","C29 H29 Cl F3 N7 O S","FC1CC2(CCCN2C1)COc1nc2c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N1CC2CCC(N2)C1;Nc1sc2c(F)ccc(c2n1)c3c(Cl)cc4c(nc(OC[C]56CCCN5C[CH](F)C6)nc4c3F)N7C[CH]8CC[CH](C7)N8;c1cc(c2c(c1c3c(cc4c(c3F)nc(nc4N5CC6CCC(C5)N6)OCC78CCCN7CC(C8)F)Cl)nc(s2)N)F","InChI=1S/C29H29ClF3N7OS/c30-19-8-18-23(22(33)21(19)17-4-5-20(32)25-24(17)36-27(34)42-25)37-28(38-26(18)39-11-15-2-3-16(12-39)35-15)41-13-29-6-1-7-40(29)10-14(31)9-29/h4-5,8,14-16,35H,1-3,6-7,9-13H2,(H2,34,36)/t14-,15-,16+,29+/m1/s1","","2023-09-15","2023-11-03","(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine","2023-11-08"],["CS9","N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE","C34 H41 F2 N3 O4","O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCC(Oc3ccccc3)C4;CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3C[CH](CN3)Oc4ccccc4;CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CN3)Oc4ccccc4)O)C","InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1","","2007-07-26","2011-06-04","N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide",""],["CSA","S-ACETONYLCYSTEINE","C6 H11 N O3 S","O=C(O)C(N)CSCC(=O)C;CC(=O)CSC[CH](N)C(O)=O;CC(=O)CSCC(C(=O)O)N","InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1","","2000-09-18","2024-09-27","S-(2-oxopropyl)-L-cysteine",""],["VQU","(2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid","C9 H10 N2 O2 S","OC(=O)C1NC(SC1)c1cnccc1;OC(=O)[CH]1CS[CH](N1)c2cccnc2;c1cc(cnc1)C2NC(CS2)C(=O)O","InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8-/m1/s1","","2022-09-02","2022-10-28","(2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid","2022-11-02"],["VQV","1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione","C9 H14 N2 O12 P2","O=C1N(C=CC(=O)N1)C2C(O)C(OP(O)(=O)O)C(COP(O)(O)=O)O2;O[CH]1[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7+,8+/m0/s1","","2020-09-08","2020-09-18","1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione","2020-09-23"],["CSB","CYS BOUND TO LEAD ION","C3 H6 N O2 Pb S","N[CH](CS[Pb+])C(O)=O;C(C(C(=O)O)N)S[Pb+]","InChI=1S/C3H7NO2S.Pb.2H/c4-2(1-7)3(5)6;;;/h2,7H,1,4H2,(H,5,6);;;/q;+2;;/p-1/t2-;;;/m0.../s1","","1999-07-08","2024-09-27","[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyllead",""],["CSC","4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM","C16 H22 N3 O8 S","O=C2N1C(=C(CSC1C2NC(=O)CCCC(C(=O)O)[NH3+])COC(=O)C)C(=O)O;CC(=O)OCC1=C(N2[CH](SC1)[CH](NC(=O)CCC[CH]([NH3+])C(O)=O)C2=O)C(O)=O;CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)[NH3+])SC1)C(=O)O","InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1/t9-,11-,14-/m1/s1","CEPHALOSPORIN C","2003-07-18","2020-06-17","(1R)-5-({(6R,7R)-3-[(acetyloxy)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}amino)-1-carboxy-5-oxopentan-1-aminium",""],["VQW","[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate","C20 H33 N O4 S","C[CH]1CC(=O)[C]2(C)CC[CH]3[CH](CC[CH]4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]12;CC1CC(=O)C2(C1C3CCC4CC(CCC4(C3CC2)C)OS(=O)(=O)N)C","InChI=1S/C20H33NO4S/c1-12-10-17(22)20(3)9-7-16-15(18(12)20)5-4-13-11-14(25-26(21,23)24)6-8-19(13,16)2/h12-16,18H,4-11H2,1-3H3,(H2,21,23,24)/t12-,13-,14-,15-,16+,18+,19+,20-/m1/s1","","2023-03-29","2024-04-05","[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["CSD","3-SULFINOALANINE","C3 H7 N O4 S","O=C(O)C(N)CS(=O)O;N[CH](C[S](O)=O)C(O)=O;C(C(C(=O)O)N)S(=O)O","InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1","S-CYSTEINESULFINIC ACID; S-SULFINOCYSTEINE","1999-07-08","2024-09-27","3-sulfino-L-alanine",""],["VQX","8-azido-1-((1S,2S,3S,4S,5R,6S)-2,3,4-trihydroxy-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptan-7-yl)octan-1-one","C15 H26 N4 O5","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2[CH]1N2C(=O)CCCCCCCN=[N+]=[N-];C(CCCC(=O)N1C2C1C(C(C(C2CO)O)O)O)CCCN=[N+]=[N-]","InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-10(21)19-11-9(8-20)13(22)15(24)14(23)12(11)19/h9,11-15,20,22-24H,1-8H2/t9-,11-,12-,13-,14-,15-,19-/m0/s1","","2023-08-07","2024-09-27","8-azido-1-[(1~{S},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptan-7-yl]octan-1-one","2024-07-31"],["VQY","9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate","C36 H53 N O5 P","c4ccc(C(/C31C(CC(=C1c2ccccc2)CCCCCCCCCOP(OCC[N+](C)(C)C)(=O)O)C(O)CC3)=C)cc4;C[N+](C)(C)CCO[P](O)(=O)OCCCCCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4;C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4","InChI=1S/C36H52NO5P/c1-29(30-18-13-10-14-19-30)36-24-23-34(38)33(36)28-32(35(36)31-20-15-11-16-21-31)22-12-8-6-5-7-9-17-26-41-43(39,40)42-27-25-37(2,3)4/h10-11,13-16,18-21,33-34,38H,1,5-9,12,17,22-28H2,2-4H3/p+1/t33-,34+,36-/m0/s1","","2020-09-09","2022-02-25","2-{[(S)-hydroxy({9-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]nonyl}oxy)phosphoryl]oxy}-N,N,N-trimethylethan-1-aminium","2022-03-02"],["CSE","SELENOCYSTEINE","C3 H7 N O2 Se","O=C(O)C(N)C[SeH];N[CH](C[SeH])C(O)=O;C(C(C(=O)O)N)[SeH]","InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2014-05-06","3-selanyl-L-alanine",""],["VQZ","N-[2-(aminomethyl)phenyl]methanesulfonamide","C8 H12 N2 O2 S","O=S(C)(=O)Nc1ccccc1CN;C[S](=O)(=O)Nc1ccccc1CN;CS(=O)(=O)Nc1ccccc1CN","InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3","","2022-09-02","2022-10-28","N-[2-(aminomethyl)phenyl]methanesulfonamide","2022-11-02"],["CSF","CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID","C20 H30 F N4 O16 P","FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO;CC(=O)N[CH]1[CH](O)[CH](F)[C](O[CH]1[CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O;CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)F)O","InChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1","CMP-3FNEUAC","2003-12-04","2020-06-17","(2S,3R,4R,5R,6R)-5-(acetylamino)-2-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)",""],["CSG","2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)","C9 H17 N4 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O;N[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","2'-amino-2'-deoxycytidine-5'-triphosphate","2009-04-23","2020-06-17","2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)",""],["VR","2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE","C5 H13 O3 P","O=P(O)(OCC(C)C)C;CC(C)CO[P](C)(O)=O;CC(C)COP(=O)(C)O","InChI=1S/C5H13O3P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3,(H,6,7)","","2010-09-02","2024-09-27","2-methylpropyl hydrogen (R)-methylphosphonate",""],["VR0","N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine","C8 H17 N5 O3","O=C(O)C(N)CCCNC(=[N@H])NC(=O)NC;CNC(=O)NC(=N)NCCC[CH](N)C(O)=O;CNC(=O)NC(=N)NCCCC(C(=O)O)N","InChI=1S/C8H17N5O3/c1-11-8(16)13-7(10)12-4-2-3-5(9)6(14)15/h5H,2-4,9H2,1H3,(H,14,15)(H4,10,11,12,13,16)/t5-/m0/s1","","2010-11-01","2024-09-27","N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine",""],["CSH","[2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-IMIDAZOLIDIN-1-YL]-ACETIC ACID","C11 H17 N5 O4","O=C1N(CC(=O)O)C(NC1Cc2ncnc2)C(N)CO;N[CH](CO)[CH]1N[CH](Cc2c[nH]cn2)C(=O)N1CC(O)=O;c1c(nc[nH]1)CC2C(=O)N(C(N2)C(CO)N)CC(=O)O","InChI=1S/C11H17N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7-8,10,15,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,8-,10-/m0/s1","","1999-07-08","2024-09-27","[(2S,4S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-4-ylmethyl)-5-oxoimidazolidin-1-yl]acetic acid",""],["VR1","(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE","C24 H19 F N4 O7 S2","O=C(NS(=O)(=O)c1ccc([N+]([O-])=O)cc1)C(NC2=NC(=O)C(S2)=Cc3oc(cc3)CC)c4ccc(F)cc4;CCc1oc(cc1)C=C2SC(=NC2=O)N[CH](C(=O)N[S](=O)(=O)c3ccc(cc3)[N+]([O-])=O)c4ccc(F)cc4;CCc1ccc(o1)C=C2C(=O)N=C(S2)NC(c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-]","InChI=1S/C24H19FN4O7S2/c1-2-17-9-10-18(36-17)13-20-22(30)27-24(37-20)26-21(14-3-5-15(25)6-4-14)23(31)28-38(34,35)19-11-7-16(8-12-19)29(32)33/h3-13,21H,2H2,1H3,(H,28,31)(H,26,27,30)/b20-13-/t21-/m0/s1","","2006-12-08","2011-06-04","(2S)-2-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-N-[(4-nitrophenyl)sulfonyl]ethanamide",""],["CSI","AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-4-YL)-ACETIC ACID","C7 H12 N4 O4","N1C(=N)NC(CC1)C(NC(=O)O)C(=O)O;OC(=O)N[CH]([CH]1CCNC(=N)N1)C(O)=O;C1CNC(=N)NC1C(C(=O)O)NC(=O)O","InChI=1S/C7H12N4O4/c8-6-9-2-1-3(10-6)4(5(12)13)11-7(14)15/h3-4,11H,1-2H2,(H,12,13)(H,14,15)(H3,8,9,10)/t3-,4+/m1/s1","","2001-11-28","2024-09-27","(2S)-(carboxyamino)[(2Z,4R)-2-iminohexahydropyrimidin-4-yl]acetic acid",""],["VR2","1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one","C20 H24 I N3 O2","Ic3ccc(OCCC(CCN2C(=O)N(c1ccncc1)CC2)C)cc3;C[CH](CCOc1ccc(I)cc1)CCN2CCN(C2=O)c3ccncc3;CC(CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I","InChI=1S/C20H24IN3O2/c1-16(9-15-26-19-4-2-17(21)3-5-19)8-12-23-13-14-24(20(23)25)18-6-10-22-11-7-18/h2-7,10-11,16H,8-9,12-15H2,1H3/t16-/m0/s1","","2013-11-06","2014-09-05","1-[(3S)-5-(4-iodophenoxy)-3-methylpentyl]-3-(pyridin-4-yl)imidazolidin-2-one","2014-02-12"],["CSJ","S-[(2-aminophenyl)carbonyl]-L-cysteine","C10 H12 N2 O3 S","O=C(O)C(N)CSC(=O)c1ccccc1N;N[CH](CSC(=O)c1ccccc1N)C(O)=O;c1ccc(c(c1)C(=O)SCC(C(=O)O)N)N","InChI=1S/C10H12N2O3S/c11-7-4-2-1-3-6(7)10(15)16-5-8(12)9(13)14/h1-4,8H,5,11-12H2,(H,13,14)/t8-/m0/s1","","2009-05-12","2024-09-27","S-[(2-aminophenyl)carbonyl]-L-cysteine",""],["CSK","S-(methylselanyl)-L-cysteine","C4 H9 N O2 S Se","O=C(O)C(N)CS[Se]C;C[Se]SC[CH](N)C(O)=O;C[Se]SCC(C(=O)O)N","InChI=1S/C4H9NO2SSe/c1-9-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1","","2012-01-30","2024-09-27","S-(methylselanyl)-L-cysteine","2013-02-01"],["VR3","[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","C19 H31 N O3 S","C[C]12CCC[CH]1[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC2)O[S](N)(=O)=O;CC12CCCC1C3CC=C4CC(CCC4(C3CC2)C)OS(=O)(=O)N","InChI=1S/C19H31NO3S/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18/h5,14-17H,3-4,6-12H2,1-2H3,(H2,20,21,22)/t14-,15-,16-,17-,18-,19-/m0/s1","","2023-03-29","2024-04-05","[(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["CSL","(D)-2'-METHYLSELENYL-2'-DEOXYCYTIDINE-5'-PHOSPHATE","C10 H16 N3 O7 P Se","O=C1N=C(N)C=CN1C2OC(C(O)C2[Se]C)COP(=O)(O)O;C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;C[Se]C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C10H16N3O7PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1","(D)-2'-DEOXY-2'-SE-METHYLCYTIDINE-5'-PHOSPHATE","2005-02-15","2021-03-01","2'-Se-methyl-2'-selenocytidine 5'-(dihydrogen phosphate)",""],["VR4","N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide","C29 H38 N4 O6","C(c1ccccc1)OC(NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=O)CC(C)C)=O;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)C(=O)NCc3ccccc3;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3","InChI=1S/C29H38N4O6/c1-19(2)15-24(33-29(38)39-18-21-11-7-4-8-12-21)27(36)32-23(16-22-13-14-30-26(22)35)25(34)28(37)31-17-20-9-5-3-6-10-20/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25+/m0/s1","\t\t\t GC376 alpha-ketoamide analog (bound form)","2020-09-09","2024-09-27","N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide","2021-01-13"],["VR5","(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile","C32 H29 F6 N7 O S","FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1;Nc1sc2c(F)ccc(c3c(F)c4nc(OC[C]56CCCN5C[CH](F)C6)nc(N7C[CH]8CC[CH](C7)N8)c4cc3C(F)(F)F)c2c1C#N;c1cc(c2c(c1c3c(cc4c(c3F)nc(nc4N5CC6CCC(C5)N6)OCC78CCCN7CC(C8)F)C(F)(F)F)c(c(s2)N)C#N)F","InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1","","2023-09-15","2023-11-03","(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile","2023-11-08"],["CSM","1-{2,5-anhydro-6-O-methyl-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione","C12 H17 N2 O10 P","O=P(O)(O)OCC32OC(N1C(=O)NC(=O)C=C1)C(OC2COC)C3O;COC[CH]1O[CH]2[CH](O)[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)NC3=O;COCC1C2(C(C(O1)C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O","InChI=1S/C12H17N2O10P/c1-21-4-6-12(5-22-25(18,19)20)9(16)8(23-6)10(24-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8+,9-,10+,12-/m0/s1","","2012-01-11","2012-06-15","1-{2,5-anhydro-6-O-methyl-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione",""],["VR6","N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine","C12 H14 N2 O2","C(CNCc1ccco1)Oc1ccccn1;C(COc1ccccn1)NCc2occc2;c1ccnc(c1)OCCNCc2ccco2","InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2","","2022-09-02","2022-10-28","N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine","2022-11-02"],["CSN","N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM","C6 H5 N O7 S","O=S(=O)(Oc1cc(ccc1O)[N+]([O-])=O)O;Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O","InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)","","2000-05-25","2011-06-04","2-hydroxy-5-nitrophenyl hydrogen sulfate",""],["CSO","S-HYDROXYCYSTEINE","C3 H7 N O3 S","O=C(O)C(N)CSO;N[CH](CSO)C(O)=O;C(C(C(=O)O)N)SO","InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","S-hydroxy-L-cysteine",""],["VR7","2-hydroxy-5-(thiophen-3-yl)benzoic acid","C11 H8 O3 S","c1c(ccc(c1C(O)=O)O)c2ccsc2;OC(=O)c1cc(ccc1O)c2cscc2;c1cc(c(cc1c2ccsc2)C(=O)O)O","InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)","","2020-09-09","2021-01-08","2-hydroxy-5-(thiophen-3-yl)benzoic acid","2021-01-13"],["VR9","N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide","C21 H20 Cl N3 O3","CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N;CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc2cccn3cc(cc23)C#N;CCC(=O)N(C)CCOc1cc(ccc1Oc2cccn3c2cc(c3)C#N)Cl","InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3","","2023-09-15","2023-11-03","N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide","2023-11-08"],["CSP","S-PHOSPHOCYSTEINE","C3 H8 N O5 P S","O=P(O)(O)SCC(C(=O)O)N;N[CH](CS[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)SP(=O)(O)O","InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1","","1999-07-08","2024-09-27","S-phosphono-L-cysteine",""],["VRA","N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide","C19 H20 F3 I N2 O5 S","O=S(=O)(Nc2c(Nc1ccc(I)cc1F)c(F)c(F)cc2OC)C3(CC(O)CO)CC3;COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1N[S](=O)(=O)C3(CC3)C[CH](O)CO;COc1cc(c(c(c1NS(=O)(=O)C2(CC2)CC(CO)O)Nc3ccc(cc3F)I)F)F","InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1","","2008-09-18","2011-06-04","N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide",""],["CSQ","O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (R)-phosphorothioate","C18 H24 N5 O12 P S","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(S)OC4C(OC(N3C(=O)N=C(N)C=C3)C4O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](S)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)S)O","InChI=1S/C18H24N5O12PS/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)33-16)35-36(31,37)32-6-8-11(26)12(27)15(34-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,37)(H2,19,20,29)(H,21,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-,36-/m1/s1","","2012-02-28","2012-05-18","O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (R)-phosphorothioate",""],["VRB","Phycoviolobilin, blue light-absorbing form","C33 H42 N4 O6","CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,27,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-/t27-/m1/s1","3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr\nrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","2012-08-28","2024-09-27","3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["CSR","S-ARSONOCYSTEINE","C3 H8 As N O5 S","O=C(O)C(N)CS[As](=O)(O)O;N[CH](CS[As](O)(O)=O)C(O)=O;C(C(C(=O)O)N)S[As](=O)(O)O","InChI=1S/C3H8AsNO5S/c5-2(3(6)7)1-11-4(8,9)10/h2H,1,5H2,(H,6,7)(H2,8,9,10)/t2-/m0/s1","","2001-09-19","2024-09-27","S-arsono-L-cysteine",""],["CSS","S-MERCAPTOCYSTEINE","C3 H7 N O2 S2","O=C(O)C(N)CSS;N[CH](CSS)C(O)=O;C(C(C(=O)O)N)SS","InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","3-disulfanyl-L-alanine",""],["VRC","(4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one","C7 H8 N2 O3","O=[N+]([O-])C1C=CC(=O)C(CN)=C1;NCC1=C[CH](C=CC1=O)[N+]([O-])=O;C1=CC(=O)C(=CC1[N+](=O)[O-])CN","InChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,6H,4,8H2/t6-/m0/s1","","2022-09-02","2026-04-06","(4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one","2022-11-02"],["VRD","({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid","C21 H20 N2 O5","CCc2c(C(C(=O)N)=O)c1c(cccc1n2Cc3ccccc3)OCC(=O)O;CCc1n(Cc2ccccc2)c3cccc(OCC(O)=O)c3c1C(=O)C(N)=O;CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N","InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)","Varespladib","2019-07-25","2021-03-08","({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid","2019-12-04"],["CSU","CYSTEINE-S-SULFONIC ACID","C3 H7 N O5 S2","O=S(=O)(O)SCC(C(=O)O)N;N[CH](CS[S](O)(=O)=O)C(O)=O;C(C(C(=O)O)N)SS(=O)(=O)O","InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1","","2000-08-22","2024-09-27","3-(sulfosulfanyl)-L-alanine",""],["VRF","N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide","C23 H20 N2 O3","C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21;CN(CCOc1ccccc1Oc2cccc3cc(ccc23)C#N)C(=O)C=C;CN(CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N)C(=O)C=C","InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3","","2023-09-15","2023-11-03","N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide","2023-11-08"],["CSV","O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (S)-phosphorothioate","C18 H24 N5 O12 P S","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(S)OC4C(OC(N3C(=O)N=C(N)C=C3)C4O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](S)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)S)O","InChI=1S/C18H24N5O12PS/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)33-16)35-36(31,37)32-6-8-11(26)12(27)15(34-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,37)(H2,19,20,29)(H,21,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-,36+/m1/s1","","2012-03-06","2012-05-18","O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (S)-phosphorothioate",""],["VRG","N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-aspartic acid","C24 H35 N7 O8","O=C(NC)NC(=[N@H])NCCCC(NC(=O)C)C(=O)N(C(C(=O)NC(C(=O)O)CC(=O)O)Cc1ccccc1)C;CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)N(C)[CH](Cc1ccccc1)C(=O)N[CH](CC(O)=O)C(O)=O;CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)N(C)C(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","","2008-03-11","2012-01-05","N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-aspartic acid",""],["CSW","CYSTEINE-S-DIOXIDE","C3 H7 N O4 S","O=C(O)C(N)CS(=O)O;N[CH](C[S](O)=O)C(O)=O;C(C(C(=O)O)N)S(=O)O","InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1","CYSTEINE SULFINIC ACID","1999-07-08","2014-11-19","3-sulfino-L-alanine",""],["CSX","S-OXY CYSTEINE","C3 H7 N O3 S","O=C(O)C(N)CS=O;N[CH](C[SH]=O)C(O)=O;C(C(C(=O)O)N)S=O","InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,8H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","3-(oxidosulfanyl)-L-alanine",""],["VRH","N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide","C11 H15 N O4","COc1cc(C)ccc1OCC(=O)NOC;CONC(=O)COc1ccc(C)cc1OC;Cc1ccc(c(c1)OC)OCC(=O)NOC","InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13)","","2022-09-02","2022-10-28","N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide","2022-11-02"],["VRI","[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","C21 H35 N O4 S","CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](N)(=O)=O;CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)N)C)C","InChI=1S/C21H35NO4S/c1-13(23)17-6-7-18-16-5-4-14-12-15(26-27(22,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H2,22,24,25)/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1","","2023-03-29","2024-04-05","[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["CSY","[(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid","C14 H15 N3 O5","O=C1C(N=C(N1CC(=O)O)C(N)CO)=Cc2ccc(O)cc2;N[CH](CO)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CO)N)CC(=O)O)O","InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1","CHROMOPHORE (SER-TYR-GLY)","1999-07-08","2015-01-20","[(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["VRJ","N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide","C26 H27 F N2 O5 S","O=S(=O)(C(C)(C)C)NC(=O)c4c(c3ccc1c(OCC(C1O)Cc2ccccn2)c3)cc(cc4)F;CC(C)(C)[S](=O)(=O)NC(=O)c1ccc(F)cc1c2ccc3[CH](O)[CH](COc3c2)Cc4ccccn4;CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OCC(C3O)Cc4ccccn4)F","InChI=1S/C26H27FN2O5S/c1-26(2,3)35(32,33)29-25(31)20-10-8-18(27)14-22(20)16-7-9-21-23(13-16)34-15-17(24(21)30)12-19-6-4-5-11-28-19/h4-11,13-14,17,24,30H,12,15H2,1-3H3,(H,29,31)/t17-,24+/m0/s1","","2020-09-09","2021-02-12","N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide","2021-02-17"],["CSZ","S-SELANYL CYSTEINE","C3 H7 N O2 S Se","O=C(O)C(N)CS[SeH];N[CH](CS[SeH])C(O)=O;C(C(C(=O)O)N)S[SeH]","InChI=1S/C3H7NO2SSe/c4-2(1-7-8)3(5)6/h2,8H,1,4H2,(H,5,6)/t2-/m0/s1","","2000-09-05","2024-09-27","S-selanyl-L-cysteine",""],["VRK","(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol","C20 H27 N O3","NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4;c1cc(c(c2c1C(OC(C2)C34CC5CC(C3)CC(C5)C4)CN)O)O","InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m1/s1","","2023-08-09","2023-11-10","(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol","2023-11-15"],["CT0","N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXALAMIDE","C10 H13 N3 O2 S","O=C(C(=O)NC1CCCC1)Nc2nccs2;O=C(NC1CCCC1)C(=O)Nc2sccn2;c1csc(n1)NC(=O)C(=O)NC2CCCC2","InChI=1S/C10H13N3O2S/c14-8(12-7-3-1-2-4-7)9(15)13-10-11-5-6-16-10/h5-7H,1-4H2,(H,12,14)(H,11,13,15)","","2005-11-08","2011-06-04","N-cyclopentyl-N'-1,3-thiazol-2-ylethanediamide",""],["VRL","methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate","C11 H13 N O3","O=C(OC)C1NCCc2cc(O)ccc12;COC(=O)[CH]1NCCc2cc(O)ccc12;COC(=O)C1c2ccc(cc2CCN1)O","InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3/t10-/m1/s1","","2022-09-02","2022-10-28","methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate","2022-11-02"],["CT1","(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE","C18 H27 N O3","O=CC(NC(=O)OC(Cc1ccccc1)C(C)C)CCCC;CCCC[CH](NC(=O)O[CH](Cc1ccccc1)C(C)C)C=O;CCCCC(C=O)NC(=O)OC(Cc1ccccc1)C(C)C","InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1","","2005-09-02","2024-09-27","(1R)-1-benzyl-2-methylpropyl [(1S)-1-formylpentyl]carbamate",""],["VRM","3-(3-methyl-1H-pyrazol-5-yl)pyridine","C9 H9 N3","c1(cc(C)nn1)c2cnccc2;Cc1cc([nH]n1)c2cccnc2;Cc1cc([nH]n1)c2cccnc2","InChI=1S/C9H9N3/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3,(H,11,12)","","2020-09-11","2021-01-15","3-(3-methyl-1H-pyrazol-5-yl)pyridine","2021-01-20"],["CT2","1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE","C19 H27 N O3","O=C(OC2(Cc1ccccc1)CCCC2)NC(C=O)CCCC;CCCC[CH](NC(=O)OC1(CCCC1)Cc2ccccc2)C=O;CCCCC(C=O)NC(=O)OC1(CCCC1)Cc2ccccc2","InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1","","2005-09-02","2024-09-27","1-benzylcyclopentyl [(1S)-1-formylpentyl]carbamate",""],["CT3","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose","C18 H32 O16","O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1","Beta-CELLOTRIOSE","1999-07-08","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["VRN","[(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","C18 H23 N O4 S","C[C]12CC[CH]3[CH](CCc4cc(O[S](N)(=O)=O)ccc34)[CH]1CCC2=O;CC12CCC3c4ccc(cc4CCC3C1CCC2=O)OS(=O)(=O)N","InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1","","2023-03-29","2024-04-05","[(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["VRO","5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H14 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(OC)cc2;COc1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1;COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H14N2O5/c1-21-9-5-2-8(3-6-9)4-7-10-11(13(18)19)15-14(20)16-12(10)17/h2-3,5-6H,4,7H2,1H3,(H,18,19)(H2,15,16,17,20)","","2012-11-29","2013-11-29","5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-12-04"],["CT4","1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine","C6 H8 Cl N5 O2 S","Clc1ncc(s1)CN/C(=N/[N+]([O-])=O)NC;CNC(NCc1sc(Cl)nc1)=N[N+]([O-])=O;CNC(=N[N+](=O)[O-])NCc1cnc(s1)Cl","InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)","","2008-03-12","2011-06-04","1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine",""],["VRP","Myriocin","C21 H39 N O6","C(CCCCC=CCC(C(O)C(CO)(N)C(O)=O)O)CC(CCCCCC)=O;CCCCCCC(=O)CCCCCCC=CC[CH](O)[CH](O)[C](N)(CO)C(O)=O;CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)(C(=O)O)N)O)O","InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1","(2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid","2020-09-11","2021-03-13","(2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid","2021-02-24"],["CT5","4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL","C20 H20 N2 O4","O1c2c(OCC1)cc(cc2)c4c(c3cc(c(O)cc3O)CC)nnc4C;CCc1cc(c(O)cc1O)c2[nH]nc(C)c2c3ccc4OCCOc4c3;CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4","InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)","","2005-05-04","2011-06-04","4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol",""],["VRQ","N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide","C23 H19 Cl N2 O3","Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1;CN(CCOc1cc(Cl)ccc1Oc2cccc3cc(ccc23)C#N)C(=O)C=C;CN(CCOc1cc(ccc1Oc2cccc3c2ccc(c3)C#N)Cl)C(=O)C=C","InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3","","2023-09-15","2023-11-03","N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide","2023-11-08"],["CT6","(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE","C18 H14 Br N5","Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4;Brc1cccc(c1)c2cc(NCc3ccncc3)n4nccc4n2;c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4","InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1","","2005-11-08","2022-02-18","5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium",""],["BMR","((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate","C16 H21 O13 P3","COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C16H21O13P3/c1-25-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(27-15)9-26-31(21,22)29-32(23,24)28-30(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/p-4/t13-,15+,16+/m0/s1","dNaM-Triphosphate","2013-10-02","2021-03-01","[[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2013-12-11"],["VRR","ethyl N-benzyl-beta-alaninate","C12 H17 N O2","O=C(OCC)CCNCc1ccccc1;CCOC(=O)CCNCc1ccccc1;CCOC(=O)CCNCc1ccccc1","InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3","","2022-09-02","2022-10-28","ethyl N-benzyl-beta-alaninate","2022-11-02"],["VRT","2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE","C15 H23 N7 O4","CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23;CCCC(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N","InChI=1S/C15H23N7O4/c1-2-3-7(16)14(25)21-9-11(24)8(4-23)26-15(9)22-6-20-10-12(17)18-5-19-13(10)22/h5-9,11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,9+,11+,15+/m0/s1","","2015-11-23","2016-07-29","N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-pentanamide","2016-08-03"],["BMS","4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID","C29 H26 N2 O3","O=C(O)c1ccc(cc1)NC(=O)c2ccc5c(c2)C(c3cc4ccccc4nc3)CCC5(C)C;CC1(C)CC[CH](c2cnc3ccccc3c2)c4cc(ccc14)C(=O)Nc5ccc(cc5)C(O)=O;CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C","InChI=1S/C29H26N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-12,15-17,23H,13-14H2,1-2H3,(H,31,32)(H,33,34)","","1999-12-15","2011-06-04","4-({[(8S)-5,5-dimethyl-8-quinolin-3-yl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl}amino)benzoic acid",""],["VRU","~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide","C23 H25 N5 O4","CCNC(=O)c1c(OC)cc(cc1OC)n2cnc3cc(ccc23)c4cnn(CCO)c4;CCNC(=O)c1c(cc(cc1OC)n2cnc3c2ccc(c3)c4cnn(c4)CCO)OC","InChI=1S/C23H25N5O4/c1-4-24-23(30)22-20(31-2)10-17(11-21(22)32-3)28-14-25-18-9-15(5-6-19(18)28)16-12-26-27(13-16)7-8-29/h5-6,9-14,29H,4,7-8H2,1-3H3,(H,24,30)","","2023-03-29","2024-01-05","~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide","2024-01-10"],["BMT","4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE","C10 H19 N O3","O=C(O)C(NC)C(O)C(C/C=C/C)C;CN[CH]([CH](O)[CH](C)CC=CC)C(O)=O;CC=CCC(C)C(C(C(=O)O)NC)O","InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1","","1999-07-08","2024-09-27","4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid",""],["BMU","1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA","C15 H19 Cl N4 O","O=C(Nc1cc(nn1C)C(C)(C)C)Nc2ccc(Cl)cc2;Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C;CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl","InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)","","2002-02-01","2011-06-04","1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea",""],["VRV","6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE","C18 H11 Br N2 O2","N#CC2=C(C=C(c1cc(Br)ccc1O)NC2=O)c3ccccc3;Oc1ccc(Br)cc1C2=CC(=C(C#N)C(=O)N2)c3ccccc3;c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N","InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)","","2006-12-20","2011-06-04","6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile",""],["BMV","3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE","C25 H23 N5 O2 S2","O=S(=O)(N3C(Cc1ccccc1)CN(c2ccc(C#N)cc2C3)Cc4ncnc4)c5sccc5;O=[S](=O)(N1Cc2cc(ccc2N(C[CH]1Cc3ccccc3)Cc4c[nH]cn4)C#N)c5sccc5;c1ccc(cc1)CC2CN(c3ccc(cc3CN2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5","InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1","BMS-214662","2004-02-18","2021-03-01","(3R)-3-benzyl-1-(1H-imidazol-4-ylmethyl)-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile",""],["VRW","Nanvuranlat","C23 H19 Cl2 N3 O4","N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O;c1ccc(cc1)c2nc3cc(cc(c3o2)COc4c(cc(cc4Cl)CC(C(=O)O)N)Cl)N","InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1","(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid","2023-08-10","2024-11-11","(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid","2024-07-17"],["VRX","(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID","C18 H15 F N2 O4 S","O=C(O)C(NC1=NC(=O)C(S1)=Cc2oc(cc2)CC)c3ccc(F)cc3;CCc1oc(cc1)C=C2SC(=NC2=O)N[CH](C(O)=O)c3ccc(F)cc3;CCc1ccc(o1)C=C2C(=O)N=C(S2)NC(c3ccc(cc3)F)C(=O)O","InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1","","2006-08-02","2011-06-04","(2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)ethanoic acid",""],["BMW","3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol","C23 H22 N6 O2","n1c4c(c(nc1N2CCOCC2)c3cccc(O)c3)CCN4c6ccc5ncnc5c6;Oc1cccc(c1)c2nc(nc3N(CCc23)c4ccc5[nH]cnc5c4)N6CCOCC6;c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6","InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25)","","2010-10-29","2011-06-04","3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol",""],["BMX","2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose","C8 H16 N O9 P","O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O;CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1","2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE; N-acetyl-6-O-phosphono-alpha-D-mannosamine;\n2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannose; 2-acetamido-2-deoxy-6-O-phosphono-D-mannose;\n2-acetamido-2-deoxy-6-O-phosphono-mannose","2011-05-10","2020-07-17","2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose",""],["VRY","1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole","C10 H10 Cl N3 O","COc1cc(Cl)c(Cn2cncn2)cc1;COc1ccc(Cn2cncn2)c(Cl)c1;COc1ccc(c(c1)Cl)Cn2cncn2","InChI=1S/C10H10ClN3O/c1-15-9-3-2-8(10(11)4-9)5-14-7-12-6-13-14/h2-4,6-7H,5H2,1H3","","2022-09-02","2022-10-28","1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole","2022-11-02"],["VRZ","1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea","C25 H26 N6 O","O=C(NCc1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5;Nc1ncnc2n(cc(c3ccc(NC(=O)NCc4ccccc4)cc3)c12)C5CCCC5;c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5","InChI=1S/C25H26N6O/c26-23-22-21(15-31(20-8-4-5-9-20)24(22)29-16-28-23)18-10-12-19(13-11-18)30-25(32)27-14-17-6-2-1-3-7-17/h1-3,6-7,10-13,15-16,20H,4-5,8-9,14H2,(H2,26,28,29)(H2,27,30,32)","","2012-05-28","2013-04-26","1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea","2013-05-01"],["BMZ","2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","C14 H13 N4 O","Oc3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N;NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3O;c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O","InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1","","2001-01-25","2011-06-04","amino[2-(2-hydroxyphenyl)-1H-benzimidazol-5-yl]methaniminium",""],["VS0","N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide","C24 H23 N5 O","O=C(c1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5;Nc1ncnc2n(cc(c3ccc(NC(=O)c4ccccc4)cc3)c12)C5CCCC5;c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5","InChI=1S/C24H23N5O/c25-22-21-20(14-29(19-8-4-5-9-19)23(21)27-15-26-22)16-10-12-18(13-11-16)28-24(30)17-6-2-1-3-7-17/h1-3,6-7,10-15,19H,4-5,8-9H2,(H,28,30)(H2,25,26,27)","","2012-05-28","2013-04-26","N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide","2013-05-01"],["BN1","(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID","C8 H10 N6 O4","O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C;Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O;Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N","InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","2-ME-TET-AMPA","2002-07-11","2021-03-01","3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]alanine",""],["VS1","3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE","C31 H37 N3 O5 S","O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)Cc3ccccc3)N4CCOCC4;O=C(N[CH](CCc1ccccc1)CC[S](=O)(=O)c2ccccc2)[CH](Cc3ccccc3)NC(=O)N4CCOCC4;c1ccc(cc1)CCC(CCS(=O)(=O)c2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)N4CCOCC4","InChI=1S/C31H37N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,27,29H,16-24H2,(H,32,35)(H,33,36)/t27-,29-/m0/s1","","2000-06-07","2024-09-27","Nalpha-(morpholin-4-ylcarbonyl)-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide",""],["BN2","7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID","C21 H21 Cl3 N2 O5","Clc1cc(cc(Cl)c1OCCCCCCC(=O)O)NC(=O)NC(=O)c2ccccc2Cl;OC(=O)CCCCCCOc1c(Cl)cc(NC(=O)NC(=O)c2ccccc2Cl)cc1Cl;c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl","InChI=1S/C21H21Cl3N2O5/c22-15-8-5-4-7-14(15)20(29)26-21(30)25-13-11-16(23)19(17(24)12-13)31-10-6-2-1-3-9-18(27)28/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,27,28)(H2,25,26,29,30)","7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID","2004-12-14","2021-03-13","7-[2,6-dichloro-4-({[(2-chlorophenyl)carbonyl]carbamoyl}amino)phenoxy]heptanoic acid",""],["VS2","3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE","C35 H38 N2 O5 S","O=S(=O)(Cc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4;O=C(N[CH](Cc1ccccc1)C(=O)N[CH](CCc2ccccc2)CC[S](=O)(=O)Cc3ccccc3)OCc4ccccc4;c1ccc(cc1)CCC(CCS(=O)(=O)Cc2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4","InChI=1S/C35H38N2O5S/c38-34(33(25-29-15-7-2-8-16-29)37-35(39)42-26-30-17-9-3-10-18-30)36-32(22-21-28-13-5-1-6-14-28)23-24-43(40,41)27-31-19-11-4-12-20-31/h1-20,32-33H,21-27H2,(H,36,38)(H,37,39)/t32-,33-/m0/s1","","2000-06-09","2024-09-27","Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-(benzylsulfonyl)-1-(2-phenylethyl)propyl]-L-phenylalaninamide",""],["BN3","4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID","C18 H15 Cl3 N2 O5","Clc2cc(OCCCC(=O)O)ccc2NC(=O)NC(=O)c1ccc(Cl)cc1Cl;OC(=O)CCCOc1ccc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1;c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl","InChI=1S/C18H15Cl3N2O5/c19-10-3-5-12(13(20)8-10)17(26)23-18(27)22-15-6-4-11(9-14(15)21)28-7-1-2-16(24)25/h3-6,8-9H,1-2,7H2,(H,24,25)(H2,22,23,26,27)","4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID","2004-12-10","2020-06-17","4-[3-chloro-4-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)phenoxy]butanoic acid",""],["BN4","4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID","C20 H20 Cl2 N2 O5","O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2ccc(OCCCC(=O)O)c(c2C)C;Cc1c(C)c(OCCCC(O)=O)ccc1NC(=O)NC(=O)c2ccc(Cl)cc2Cl;Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C","InChI=1S/C20H20Cl2N2O5/c1-11-12(2)17(29-9-3-4-18(25)26)8-7-16(11)23-20(28)24-19(27)14-6-5-13(21)10-15(14)22/h5-8,10H,3-4,9H2,1-2H3,(H,25,26)(H2,23,24,27,28)","4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID","2004-12-10","2021-03-13","4-[4-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)-2,3-dimethylphenoxy]butanoic acid",""],["VS3","3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER","C34 H35 N3 O8 S","O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4;[O-][N+](=O)c1ccc(O[S](=O)(=O)CC[CH](CCc2ccccc2)NC(=O)[CH](Cc3ccccc3)NC(=O)OCc4ccccc4)cc1;c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4","InChI=1S/C34H35N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-21,29,32H,16-17,22-25H2,(H,35,38)(H,36,39)/t29-,32-/m0/s1","","2000-06-09","2024-09-27","4-nitrophenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate",""],["VS4","3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE","C33 H43 N5 O5 S","O=C(N1CCN(C)CC1)NC(C(=O)NC(CCS(=O)(=O)NOCc2ccccc2)CCc3ccccc3)Cc4ccccc4;CN1CCN(CC1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCc3ccccc3)CC[S](=O)(=O)NOCc4ccccc4;CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4","InChI=1S/C33H43N5O5S/c1-37-20-22-38(23-21-37)33(40)35-31(25-28-13-7-3-8-14-28)32(39)34-30(18-17-27-11-5-2-6-12-27)19-24-44(41,42)36-43-26-29-15-9-4-10-16-29/h2-16,30-31,36H,17-26H2,1H3,(H,34,39)(H,35,40)/t30-,31-/m0/s1","","2000-06-09","2024-09-27","N-[(1S)-3-[(benzyloxy)sulfamoyl]-1-(2-phenylethyl)propyl]-Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide",""],["BN5","5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID","C20 H20 Cl2 N2 O5","O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2cccc(OCCCCC(=O)O)c2C;Cc1c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cccc1OCCCCC(O)=O;Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl","InChI=1S/C20H20Cl2N2O5/c1-12-16(5-4-6-17(12)29-10-3-2-7-18(25)26)23-20(28)24-19(27)14-9-8-13(21)11-15(14)22/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H2,23,24,27,28)","5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID","2004-12-10","2020-06-17","5-[3-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)-2-methylphenoxy]pentanoic acid",""],["VS5","(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine","C20 H21 F N6 O","Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1CCCCC1;Fc1ccc(cc1)c2c3COCCc3nc(N4CCCCC4)c2c5[nH]nnn5;c1cc(ccc1c2c3c(nc(c2c4[nH]nnn4)N5CCCCC5)CCOC3)F","InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)","","2023-05-09","2023-06-09","(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine","2023-06-14"],["BN6","(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID","C35 H52 N6 O9","O=C(NC(C(O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C)C)C3CCCCC3)CC4CC4;CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[CH](CC3CC3)[CH](O)C(=O)NCC(=O)N[CH](C(O)=O)c4ccccc4;CC(C)COC(=O)NC(C1CCCCC1)C(=O)NN(CC2CC2)C(=O)NC(CC3CC3)C(C(=O)NCC(=O)NC(c4ccccc4)C(=O)O)O","InChI=1S/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1","","2007-01-02","2024-09-27","(2S)-({N-[(2R,3S,9S)-9-cyclohexyl-3,6-bis(cyclopropylmethyl)-2-hydroxy-14-methyl-5,8,11-trioxo-12-oxa-4,6,7,10-tetraazapentadecan-1-oyl]glycyl}amino)(phenyl)ethanoic acid",""],["BN7","2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate","C14 H24 N2 O3 S","O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2;CC(C)COC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;CC(C)COC(=O)CCCCC1C2C(CS1)NC(=O)N2","InChI=1S/C14H24N2O3S/c1-9(2)7-19-12(17)6-4-3-5-11-13-10(8-20-11)15-14(18)16-13/h9-11,13H,3-8H2,1-2H3,(H2,15,16,18)/t10-,11-,13-/m0/s1","","2017-04-03","2018-03-29","2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate","2018-04-04"],["VS7","(2R)-1-(1H-indol-3-yl)propan-2-amine","C11 H14 N2","CC(N)Cc1c[NH]c2ccccc21;C[CH](N)Cc1c[nH]c2ccccc12;CC(Cc1c[nH]c2c1cccc2)N","InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1","","2022-09-02","2022-10-28","(2R)-1-(1H-indol-3-yl)propan-2-amine","2022-11-02"],["VS8","N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C24 H25 N5","n1c4c(c(nc1N)NC2CCCCC2)c(c(c3ccccc3)n4)c5ccccc5;Nc1nc(NC2CCCCC2)c3c([nH]c(c4ccccc4)c3c5ccccc5)n1;c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N","InChI=1S/C24H25N5/c25-24-28-22(26-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)21(27-23(20)29-24)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H4,25,26,27,28,29)","","2014-01-16","2015-01-16","N~4~-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["BN8","6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide","C24 H29 Cl F3 N5 O5 S","O=S(=O)(c1ccc(NC(=O)NCCCCCC(=O)NO)cc1)N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F;ONC(=O)CCCCCNC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)c3cc(Cl)cc(c3)C(F)(F)F;c1cc(ccc1NC(=O)NCCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F","InChI=1S/C24H29ClF3N5O5S/c25-18-14-17(24(26,27)28)15-20(16-18)32-10-12-33(13-11-32)39(37,38)21-7-5-19(6-8-21)30-23(35)29-9-3-1-2-4-22(34)31-36/h5-8,14-16,36H,1-4,9-13H2,(H,31,34)(H2,29,30,35)","","2021-11-17","2023-04-07","6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide","2023-04-12"],["VS9","[(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate","C18 H25 N O3 S","C[C]12CCC[CH]1[CH]3CCc4cc(O[S](N)(=O)=O)ccc4[CH]3CC2;CC12CCCC1C3CCc4cc(ccc4C3CC2)OS(=O)(=O)N","InChI=1S/C18H25NO3S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H2,19,20,21)/t15-,16-,17+,18+/m1/s1","","2023-03-30","2024-04-05","[(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["BNA","BIS-(NAPHTHYL-1-METHYL) ACETIC ACID","C24 H20 O2","O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3ccccc34;OC(=O)C(Cc1cccc2ccccc12)Cc3cccc4ccccc34;c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O","InChI=1S/C24H20O2/c25-24(26)21(15-19-11-5-9-17-7-1-3-13-22(17)19)16-20-12-6-10-18-8-2-4-14-23(18)20/h1-14,21H,15-16H2,(H,25,26)","","1999-07-08","2011-06-04","3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoic acid",""],["VSA","1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea","C24 H24 N6 O","O=C(Nc1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5;Nc1ncnc2n(cc(c3ccc(NC(=O)Nc4ccccc4)cc3)c12)C5CCCC5;c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5","InChI=1S/C24H24N6O/c25-22-21-20(14-30(19-8-4-5-9-19)23(21)27-15-26-22)16-10-12-18(13-11-16)29-24(31)28-17-6-2-1-3-7-17/h1-3,6-7,10-15,19H,4-5,8-9H2,(H2,25,26,27)(H2,28,29,31)","","2012-05-28","2013-04-26","1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea","2013-05-01"],["BNB","N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide","C36 H41 N7 O3","CN1CCN(CC1)C(=O)c2ccc(NC3=NC(=CN(C)C3=O)c4cccc(NC(=O)c5ccc(cc5)N6CCCCC6)c4C)cc2;Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C","InChI=1S/C36H41N7O3/c1-25-30(8-7-9-31(25)39-34(44)26-12-16-29(17-13-26)42-18-5-4-6-19-42)32-24-41(3)36(46)33(38-32)37-28-14-10-27(11-15-28)35(45)43-22-20-40(2)21-23-43/h7-17,24H,4-6,18-23H2,1-3H3,(H,37,38)(H,39,44)","","2017-10-11","2018-08-17","~{N}-[2-methyl-3-[4-methyl-6-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-5-oxidanylidene-pyrazin-2-yl]phenyl]-4-piperidin-1-yl-benzamide","2018-08-22"],["BNC","5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL","C23 H40 O3","OC1CCC2(C)C4C(C(O)CC2C1)C3CCC(C(C)CC)C3(C)C(O)C4;CC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","InChI=1S/C23H40O3/c1-5-13(2)16-6-7-17-21-18(12-20(26)23(16,17)4)22(3)9-8-15(24)10-14(22)11-19(21)25/h13-21,24-26H,5-12H2,1-4H3/t13-,14+,15-,16-,17+,18+,19-,20+,21+,22+,23-/m1/s1","","2001-12-12","2018-05-11","(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpropyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol (non-preferred name)","2018-05-16"],["VSB","7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C29 H34 N6 O","O(c1ccccc1)c2ccc(cc2)c4c3c(ncnc3n(c4)C6CCC(N5CCN(CC5)C)CC6)N;CN1CCN(CC1)[CH]2CC[CH](CC2)n3cc(c4ccc(Oc5ccccc5)cc4)c6c(N)ncnc36;CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6","InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23+","","2012-05-28","2013-04-26","7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2013-05-01"],["BND","methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C19 H26 N2 O9","O=C(c1ccccc1)NCC(O)C(O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)C;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CNC(=O)c2ccccc2)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O","InChI=1S/C19H26N2O9/c1-10(22)21-14-12(23)8-19(29-2,18(27)28)30-16(14)15(25)13(24)9-20-17(26)11-6-4-3-5-7-11/h3-7,12-16,23-25H,8-9H2,1-2H3,(H,20,26)(H,21,22)(H,27,28)/t12-,13+,14+,15+,16+,19+/m0/s1","ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC; methyl\n5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-galacto-non-2-ulosidonic acid","2003-02-14","2020-07-17","methyl 5-(acetylamino)-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid",""],["VSC","N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER","C34 H36 N2 O6 S","O=S(=O)(Oc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4;O=C(N[CH](Cc1ccccc1)C(=O)N[CH](CCc2ccccc2)CC[S](=O)(=O)Oc3ccccc3)OCc4ccccc4;c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4","InChI=1S/C34H36N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)/t30-,32-/m0/s1","WRR-204","2000-05-03","2024-09-27","phenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate",""],["VSD","3-Dehydrosphinganine","C18 H37 N O2","C(C(C(N)CO)=O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)[CH](N)CO;CCCCCCCCCCCCCCCC(=O)C(CO)N","InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1","(2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one","2020-09-11","2021-03-13","(2S)-2-amino-1-hydroxyoctadecan-3-one","2021-02-24"],["BNE","2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE","C28 H33 N5 O2","O=C1N(C)CCCCC1(c4cc(Oc2c(C#N)ccc(c2)C(N)(c3cncn3C)C)ccc4)CC;CC[C]1(CCCCN(C)C1=O)c2cccc(Oc3cc(ccc3C#N)[C](C)(N)c4cncn4C)c2;CCC1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)C(C)(c4cncn4C)N","InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m0/s1","","2002-10-24","2011-06-04","4-[(1S)-1-amino-1-(1-methyl-1H-imidazol-5-yl)ethyl]-2-{3-[(3S)-3-ethyl-1-methyl-2-oxoazepan-3-yl]phenoxy}benzonitrile",""],["VSE","7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C29 H34 N6 O","O(c1ccccc1)c2ccc(cc2)c4c3c(ncnc3n(c4)C6CCC(N5CCN(CC5)C)CC6)N;CN1CCN(CC1)[CH]2CC[CH](CC2)n3cc(c4ccc(Oc5ccccc5)cc4)c6c(N)ncnc36;CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6","InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23-","","2012-05-28","2013-04-26","7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2013-05-01"],["BNF","N-BENZYLFORMAMIDE","C8 H9 N O","O=CNCc1ccccc1;O=CNCc1ccccc1;c1ccc(cc1)CNC=O","InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)","","2004-07-25","2011-06-04","N-benzylformamide",""],["BNG","nonyl beta-D-glucopyranoside","C15 H30 O6","O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1","Beta-NONYLGLUCOSIDE; nonyl beta-D-glucoside; nonyl D-glucoside; nonyl glucoside","1999-07-08","2020-07-17","nonyl beta-D-glucopyranoside",""],["VSF","5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C23 H22 N4 O2","O(c1ccccc1)c5ccc(c2cn(c3ncnc(N)c23)C4CCOCC4)cc5;Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCOCC5;c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5","InChI=1S/C23H22N4O2/c24-22-21-20(14-27(23(21)26-15-25-22)17-10-12-28-13-11-17)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H2,24,25,26)","","2012-05-28","2013-04-26","5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2013-05-01"],["VSG","7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C24 H25 N5 O","O(c1ccccc1)c2ccc(cc2)c4cn(c3ncnc(N)c34)C5CCN(C)CC5;CN1CCC(CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5","InChI=1S/C24H25N5O/c1-28-13-11-18(12-14-28)29-15-21(22-23(25)26-16-27-24(22)29)17-7-9-20(10-8-17)30-19-5-3-2-4-6-19/h2-10,15-16,18H,11-14H2,1H3,(H2,25,26,27)","","2012-05-28","2013-04-26","7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2013-05-01"],["BNH","[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID","C36 H51 N5 O9","O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)CC3CC3)C(NC(=O)OCC(C)C)C4CCCCC4;CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)N[CH](CC2CC2)C(=O)N[CH](CC3CC3)C(=O)C(=O)NCC(=O)N[CH](C(O)=O)c4ccccc4;CC(C)COC(=O)NC(C1CCCCC1)C(=O)NC(CC2CC2)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=O)NC(c4ccccc4)C(=O)O","InChI=1S/C36H51N5O9/c1-21(2)20-50-36(49)41-29(24-9-5-3-6-10-24)33(45)39-27(18-23-15-16-23)32(44)38-26(17-22-13-14-22)31(43)34(46)37-19-28(42)40-30(35(47)48)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26-27,29-30H,3,5-6,9-10,13-20H2,1-2H3,(H,37,46)(H,38,44)(H,39,45)(H,40,42)(H,41,49)(H,47,48)/t26-,27-,29-,30-/m0/s1","","2005-07-27","2011-06-04","(2S)-({N-[(3S)-3-({N-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetyl]-3-cyclopropyl-L-alanyl}amino)-4-cyclopropyl-2-oxobutanoyl]glycyl}amino)(phenyl)ethanoic acid",""],["VSH","tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate","C20 H26 N6 O3","O=C(OC(C)(C)C)Nc3ccc(c2nn(c1ncnc(c12)N)C(C)C)cc3OC;COc1cc(ccc1NC(=O)OC(C)(C)C)c2nn(C(C)C)c3ncnc(N)c23;CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N","InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23)","","2012-05-28","2013-04-26","tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate","2013-05-01"],["BNI","5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE","C16 H20 N4 O4 S","O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc([N+]([O-])=O)cc3;[O-][N+](=O)c1ccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)cc1;c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)[N+](=O)[O-]","InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1","BIOTINYL P-NITROANILINE","2001-03-23","2021-03-01","N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide",""],["VSI","N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide","C21 H18 Cl2 N6 O2","Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[N@H])NC(=O)Cn3c2cc(C#N)ccc2cc3;CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)Cn2ccc3ccc(cc23)C#N)cc1Cl;CC(=O)Nc1c(cc(cc1Cl)CNC(=N)NC(=O)Cn2ccc3c2cc(cc3)C#N)Cl","InChI=1S/C21H18Cl2N6O2/c1-12(30)27-20-16(22)6-14(7-17(20)23)10-26-21(25)28-19(31)11-29-5-4-15-3-2-13(9-24)8-18(15)29/h2-8H,10-11H2,1H3,(H,27,30)(H3,25,26,28,31)","","2013-01-28","2013-11-08","N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide","2013-11-13"],["BNJ","N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide","C14 H16 N2 O3 S2","O=C3SC=C(c1cc(ccc1)S(=O)(=O)NC2CCCC2)N3;O=C1NC(=CS1)c2cccc(c2)[S](=O)(=O)NC3CCCC3;c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3","InChI=1S/C14H16N2O3S2/c17-14-15-13(9-20-14)10-4-3-7-12(8-10)21(18,19)16-11-5-1-2-6-11/h3-4,7-9,11,16H,1-2,5-6H2,(H,15,17)","","2014-07-14","2015-06-26","N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide","2015-07-01"],["VSK","(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide","C22 H27 N3 O","Cc1cc(C)c(CCNC(=O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1;Cc1cc(c(c(c1)C)CCNC(=O)C(Cc2c[nH]c3c2cccc3)N)C","InChI=1S/C22H27N3O/c1-14-10-15(2)18(16(3)11-14)8-9-24-22(26)20(23)12-17-13-25-21-7-5-4-6-19(17)21/h4-7,10-11,13,20,25H,8-9,12,23H2,1-3H3,(H,24,26)/t20-/m0/s1","VSK-B24","2017-07-21","2020-06-05","(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide","2018-09-12"],["BNK","2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide","C14 H15 Cl N2 O3 S2","O=C3SC=C(c1cc(c(Cl)cc1)S(=O)(=O)NC2CCCC2)N3;Clc1ccc(cc1[S](=O)(=O)NC2CCCC2)C3=CSC(=O)N3;c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl","InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)","","2014-07-14","2015-06-26","2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide","2015-07-01"],["BNL","BIPHENYL","C12 H10","c1cc(ccc1)c2ccccc2;c1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccccc2","InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H","","2003-09-15","2011-06-04","biphenyl",""],["VSL","methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate","C9 H12 N2 O2","O=C(OC)c1[NH]nc2CCCCc12;COC(=O)c1[nH]nc2CCCCc12;COC(=O)c1c2c(n[nH]1)CCCC2","InChI=1S/C9H12N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)","","2022-09-02","2022-10-28","methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate","2022-11-02"],["VSM","[(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate","C19 H29 N O4 S","C[C]12CC[CH]3C(=C1CC[CH](C2)O[S](N)(=O)=O)CC[CH]4CC(=O)C[C]34C;CC12CCC3C(=C1CCC(C2)OS(=O)(=O)N)CCC4C3(CC(=O)C4)C","InChI=1S/C19H29NO4S/c1-18-8-7-17-15(5-3-12-9-13(21)10-19(12,17)2)16(18)6-4-14(11-18)24-25(20,22)23/h12,14,17H,3-11H2,1-2H3,(H2,20,22,23)/t12-,14+,17-,18+,19-/m1/s1","","2023-03-31","2024-04-05","[(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate","2024-04-10"],["BNM","N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide","C18 H21 N3 O4 S2","O=C4SC=C(c2cc(cc(NC(=O)C1CC1)c2)S(=O)(=O)NC3CCCC3)N4;O=C1NC(=CS1)c2cc(NC(=O)C3CC3)cc(c2)[S](=O)(=O)NC4CCCC4;c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4","InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)","","2014-07-15","2015-06-26","N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide","2015-07-01"],["VSN","5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine","C10 H15 N5 O10 P2 S","OP(O)(=S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","2023-09-16","2023-11-17","5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine","2023-11-22"],["BNN","ACETYL-P-AMIDINOPHENYLALANINE","C12 H15 N3 O3","O=C(O)C(NC(=O)C)Cc1ccc(cc1)C(=[N@H])N;CC(=O)N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O;CC(=O)NC(Cc1ccc(cc1)C(=N)N)C(=O)O","InChI=1S/C12H15N3O3/c1-7(16)15-10(12(17)18)6-8-2-4-9(5-3-8)11(13)14/h2-5,10H,6H2,1H3,(H3,13,14)(H,15,16)(H,17,18)/t10-/m0/s1","","1999-07-08","2011-06-04","N-acetyl-4-carbamimidoyl-L-phenylalanine",""],["VSO","VINYLSULPHONIC ACID","C2 H4 O3 S","O=S(=O)(O)C=C;O[S](=O)(=O)C=C;C=CS(=O)(=O)O","InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)","","2003-12-17","2011-06-04","ethenesulfonic acid",""],["BNO","NORLEUCINE BORONIC ACID","C5 H14 B N O2","OB(O)C(N)CCCC;CCCC[CH](N)B(O)O;B(C(CCCC)N)(O)O","InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1","","1999-07-08","2025-07-23","[(1R)-1-aminopentyl]boronic acid",""],["BNP","(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE","C32 H35 N O3","O(Cc2cc1ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)CCNC5;C(COCc1ccccc1)COc2ccc(cc2)[CH]3CCNC[CH]3OCc4ccc5ccccc5c4;c1ccc(cc1)COCCCOc2ccc(cc2)C3CCNCC3OCc4ccc5ccccc5c4","InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1","","2003-07-11","2011-06-04","(3R,4R)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(naphthalen-2-ylmethoxy)piperidine",""],["VSP","N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide","C17 H22 N6 O2 S","O=S(=O)(Nc1cccc(c1)Cc3nn(c2ncnc(c23)N)C(C)C)CC;CC[S](=O)(=O)Nc1cccc(Cc2nn(C(C)C)c3ncnc(N)c23)c1;CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N","InChI=1S/C17H22N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h5-8,10-11,22H,4,9H2,1-3H3,(H2,18,19,20)","","2011-07-18","2024-09-27","N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide",""],["VSQ","N~2~-phenylglycinamide","C8 H10 N2 O","NC(=O)CNc1ccccc1;NC(=O)CNc1ccccc1;c1ccc(cc1)NCC(=O)N","InChI=1S/C8H10N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,9,11)","","2022-09-02","2022-10-28","N~2~-phenylglycinamide","2022-11-02"],["BNQ","~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide","C22 H18 N2 O S","O=C(CC(c1ccccc1)c2ccccc2)Nc3sc4ccccc4n3;c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4","InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)","","2017-10-11","2018-08-24","~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide","2018-08-29"],["VSR","[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(E)-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate","C48 H62 N2 O12","CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCCCc4ccc(cc4)N=Nc5ccccc5)C;CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCCCCc4ccc(cc4)N=Nc5ccccc5)(C(C(=O)O3)(C)O)O","InChI=1S/C48H62N2O12/c1-8-10-11-12-18-24-38(53)59-42-40-39(31(4)41(42)60-44(54)30(3)9-2)43-48(57,47(7,56)45(55)61-43)36(29-46(40,6)62-32(5)51)58-37(52)23-19-13-15-20-33-25-27-35(28-26-33)50-49-34-21-16-14-17-22-34/h9,14,16-17,21-22,25-28,36,40-43,56-57H,8,10-13,15,18-20,23-24,29H2,1-7H3/b30-9-,50-49+/t36-,40+,41-,42-,43-,46-,47+,48+/m0/s1","photoswitch-thapsigargin derivative AzTG-6","2023-03-31","2023-06-16","[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(~{E})-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate","2023-06-21"],["BNR","BIS-DAUNORUBICIN","C62 H66 N2 O20","O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(C(O)C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)CC%10O)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](O)[CH]([NH2+]Cc6ccc(C[NH2+][CH]7[CH](O)C[CH](O[CH]7C)O[CH]8C[C](O)(Cc9c(O)c%10C(=O)c%11cccc(OC)c%11C(=O)c%10c(O)c89)C(C)=O)cc6)[CH](C)O5)c4c(O)c3C(=O)c12)C(C)=O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+]C7C(OC(CC7O)OC8CC(Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C","InChI=1S/C62H64N2O20/c1-25-51(35(67)17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-52-26(2)82-42(18-36(52)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1","WP652","2001-11-30","2021-03-01","(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-aminium) (non-preferred name)",""],["BNS","benzenesulfonic acid","C6 H6 O3 S","O=S(=O)(O)c1ccccc1;O[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)O","InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)","","1999-07-08","2011-06-04","benzenesulfonic acid",""],["VST","(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione","C10 H10 F N O3 S","Fc1ccc2c(c1)C(/CCS2(=O)=O)=NOC;CON=C1CC[S](=O)(=O)c2ccc(F)cc12;CON=C1CCS(=O)(=O)c2c1cc(cc2)F","InChI=1S/C10H10FNO3S/c1-15-12-9-4-5-16(13,14)10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9-","","2022-09-02","2022-10-28","(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione","2022-11-02"],["BNT","2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE","C10 H10 Br2 O2","BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C;CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C;CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br","InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3","2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE; DBMIB","2005-09-26","2020-05-26","2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione",""],["VSU","tris-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(V)3O7","C24 H30 N3 O13 V3","O.CCC1=C2O[V+5]3(=O)(O[V+5]4(=O)O[V+5]5(=O)(OC6=C(CC)N(C)C=CC6=[O-]5)(O3)[O]4=C7C=C[N+](C)C(=C7[O-])CC)[O-]=C2C=CN1C;CCC1=C2C(=[O-][V+5]3(=O)(O2)O[V+5]45(=O)([O-]C6=C([N+](C=CC6=O4[V+5]7(=O)(O3)(O5)[O-]=C8C=CN(C(=C8O7)CC)C)C)CC)[O])C=CN1C","InChI=1S/3C8H11NO2.H2O.6O.3V/c3*1-3-6-8(11)7(10)4-5-9(6)2;;;;;;;;;;/h3*4-5,11H,3H2,1-2H3;1H2;;;;;;;;;/q;;;;;;;;;;2*+5;+6/p-3","","2023-03-31","2023-06-02","","2023-06-07"],["BNU","6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid","C16 H18 Br N3 O3","O=C(O)C2=CN(c1cc(c(Br)cc1C2=O)N3CCNCC3)CC;CCN1C=C(C(O)=O)C(=O)c2cc(Br)c(cc12)N3CCNCC3;CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O","InChI=1S/C16H18BrN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)","","2012-09-05","2013-03-29","6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid","2013-04-03"],["VSV","N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID","C23 H21 N3 O7 S","O=C1C(SC(=O)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3;OC(=O)CC[CH](NC(=O)c1cccc(CNc2ccc(cc2)C=C3SC(=O)NC3=O)c1)C(O)=O;c1cc(cc(c1)C(=O)NC(CCC(=O)O)C(=O)O)CNc2ccc(cc2)C=C3C(=O)NC(=O)S3","InChI=1S/C23H21N3O7S/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m1/s1","","2010-02-10","2011-06-04","N-({3-[({4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-D-glutamic acid",""],["VSX","N-(2-amino-5-chlorophenyl)acetamide","C8 H9 Cl N2 O","Nc1ccc(Cl)cc1NC(C)=O;CC(=O)Nc1cc(Cl)ccc1N;CC(=O)Nc1cc(ccc1N)Cl","InChI=1S/C8H9ClN2O/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,10H2,1H3,(H,11,12)","","2022-09-02","2022-10-28","N-(2-amino-5-chlorophenyl)acetamide","2022-11-02"],["BNV","(12S)-12-methyltetradecanoic acid","C15 H30 O2","C(O)(CCCCCCCCCCC(C)CC)=O;CC[CH](C)CCCCCCCCCCC(O)=O;CCC(C)CCCCCCCCCCC(=O)O","InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1","","2017-08-14","2018-11-16","(12S)-12-methyltetradecanoic acid","2018-11-21"],["BNW","UDP-N-acetyl-muramic acid-4'phosphate","C20 H32 N3 O22 P3","C[CH](O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[P](O)(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C","InChI=1S/C20H32N3O22P3/c1-7(18(29)30)40-16-12(21-8(2)25)19(42-9(5-24)15(16)43-46(32,33)34)44-48(37,38)45-47(35,36)39-6-10-13(27)14(28)17(41-10)23-4-3-11(26)22-20(23)31/h3-4,7,9-10,12-17,19,24,27-28H,5-6H2,1-2H3,(H,21,25)(H,29,30)(H,35,36)(H,37,38)(H,22,26,31)(H2,32,33,34)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1","","2017-10-11","2018-04-27","(2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-phosphonooxy-oxan-4-yl]oxypropanoic acid","2018-05-02"],["VSY","(3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol","C16 H16 N6 O","Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn2)n3;CC[C](C)(O)C#Cc1cc2n(ncc2cn1)c3ccnc(N)n3;CCC(C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O","InChI=1S/C16H16N6O/c1-3-16(2,23)6-4-12-8-13-11(9-19-12)10-20-22(13)14-5-7-18-15(17)21-14/h5,7-10,23H,3H2,1-2H3,(H2,17,18,21)/t16-/m0/s1","","2020-09-11","2021-05-14","(3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol","2021-05-19"],["VSZ","Cystargolide A (bound)","C18 H32 N2 O6","CC[CH](C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C=O)C(C)C)C(C)C)C(O)=O;CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C=O)C(C)C)O","InChI=1S/C18H32N2O6/c1-7-11(6)14(18(25)26)20-16(23)13(10(4)5)19-17(24)15(22)12(8-21)9(2)3/h8-15,22H,7H2,1-6H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,13-,14-,15+/m0/s1","(2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid","2023-03-31","2024-09-27","(2~{S},3~{S})-2-[[(2~{S})-2-[[(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid","2023-12-06"],["BNX","2-O-phosphono-beta-D-glucopyranose","C6 H13 O9 P","O=P(OC1C(O)C(O)C(OC1O)CO)(O)O;OC[CH]1O[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)OP(=O)(O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1","2-O-phosphono-beta-D-glucose; 2-O-phosphono-D-glucose; 2-O-phosphono-glucose","2014-09-18","2020-07-17","2-O-phosphono-beta-D-glucopyranose","2015-08-19"],["VT0","{[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)","C13 H13 N3 O6 P2 S","O=P(O)(O)C(P(=O)(O)O)Nc1nc(nc2c1ccs2)c3ccccc3;O[P](O)(=O)C(Nc1nc(nc2sccc12)c3ccccc3)[P](O)(O)=O;c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)","","2018-01-16","2018-08-31","{[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)","2018-09-05"],["BNY","2-(2-methyl-3-nitroanilino)benzoic acid","C14 H12 N2 O4","O=C(O)c1ccccc1Nc1cccc(c1C)[N+]([O-])=O;Cc1c(Nc2ccccc2C(O)=O)cccc1[N+]([O-])=O;Cc1c(cccc1[N+](=O)[O-])Nc2ccccc2C(=O)O","InChI=1S/C14H12N2O4/c1-9-11(7-4-8-13(9)16(19)20)15-12-6-3-2-5-10(12)14(17)18/h2-8,15H,1H3,(H,17,18)","","2017-08-17","2026-04-04","2-(2-methyl-3-nitroanilino)benzoic acid","2018-03-21"],["VT1","(R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol","C23 H16 F7 N5 O2","FC(F)(F)COc1ccc(cc1)c2ccc(nc2)C(F)(F)C(O)(c3ccc(F)cc3F)Cn4nnnc4;O[C](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OCC(F)(F)F)cc4;c1cc(ccc1c2ccc(nc2)C(C(Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F","InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1","","2015-02-26","2015-11-27","(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}propan-2-ol","2015-12-02"],["BNZ","BENZENE","C6 H6","c1ccccc1;c1ccccc1;c1ccccc1","InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H","","1999-07-08","2011-06-04","benzene",""],["VT2","(R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile","C31 H22 F4 N6 O2","O[C](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(C=Cc4ccc(OCc5ccc(cc5)C#N)cc4)cn3;c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C(C(Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N","InChI=1S/C31H22F4N6O2/c32-25-10-13-27(28(33)15-25)30(42,19-41-20-38-39-40-41)31(34,35)29-14-9-23(17-37-29)4-1-21-7-11-26(12-8-21)43-18-24-5-2-22(16-36)3-6-24/h1-15,17,20,42H,18-19H2/t30-/m0/s1","","2015-12-17","2017-04-21","4-[[4-[2-[6-[(2R)-2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-2-oxidanyl-3-(1,2,3,4-tetrazol-1-yl)propyl]pyridin-3-yl]ethenyl]phenoxy]methyl]benzenecarbonitrile","2017-04-26"],["BO0","(1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol","C7 H12 O4","OC[CH]1C[CH]2O[CH]2[CH](O)[CH]1O;C1C(C(C(C2C1O2)O)O)CO","InChI=1S/C7H12O4/c8-2-3-1-4-7(11-4)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6+,7-/m1/s1","","2018-03-06","2019-09-13","(1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol","2019-09-18"],["BO1","N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine","C12 H18 N2 O7 S","O=S(=O)(N)c1ccc(cc1)NC2OC(C(O)C(O)C2O)CO;N[S](=O)(=O)c1ccc(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;c1cc(ccc1NC2C(C(C(C(O2)CO)O)O)O)S(=O)(=O)N","InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)/t8-,9-,10+,11-,12-/m1/s1","N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE; N-(4-sulfamoylphenyl)-beta-D-glucosylamine;\nN-(4-sulfamoylphenyl)-D-glucosylamine; N-(4-sulfamoylphenyl)-glucosylamine","2006-07-12","2020-07-17","N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine",""],["VT3","8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE","C15 H12 N2 O2","Cc1ccc(cc1)C2=Nc3c(O)cccc3C(=O)N2;Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2","InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)","","2015-03-27","2016-04-08","2-(4-methylphenyl)-8-oxidanyl-3H-quinazolin-4-one","2016-04-13"],["VT4","2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one","C19 H25 N O2","O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC;CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C;CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C","InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3","","2014-03-22","2014-04-11","2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one","2014-04-16"],["BO2","N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE","C19 H25 B N4 O4","O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2nccnc2;CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)O","InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1","BORTEZOMIB","2006-01-06","2024-09-27","N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide",""],["VT5","(2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one","C18 H19 Cl F N O3","CC(=O)C1=C(O)C(=O)N([CH]1C2CCCCC2)c3ccc(Cl)cc3F;CC(=O)C1=C(C(=O)N(C1C2CCCCC2)c3ccc(cc3F)Cl)O","InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1","","2016-08-19","2016-12-09","(2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one","2016-12-14"],["BO3","BORIC ACID","B H3 O3","OB(O)O;OB(O)O;B(O)(O)O","InChI=1S/BH3O3/c2-1(3)4/h2-4H","","1999-07-08","2011-06-04","boric acid",""],["BO4","BORATE ION","B H4 O4","O[B-](O)(O)O;O[B-](O)(O)O;[B-](O)(O)(O)O","InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1","","1999-07-08","2024-09-27","tetrahydroxyborate(1-)",""],["VT6","5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","C11 H17 Cl F N2 O13 P3","O=C1C(C)=CN(C(N1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)F)=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[C](F)(Cl)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(F)(P(=O)(O)O)Cl)O)O","InChI=1S/C11H17ClFN2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+,11+/m0/s1","","2018-03-26","2018-06-15","5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","2018-06-20"],["VT7","5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","C11 H17 F2 N2 O13 P3","O=C1C(C)=CN(C(N1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(O)(O)=O)F)=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O","InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1","","2018-03-26","2018-06-15","5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","2018-06-20"],["BO5","(9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE","C19 H24 Cl N O4","O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCCCC=CCCN2C;CN1CCC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O;CN1CCC=CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O","InChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+","","2013-11-08","2014-09-05","(5E)-14-chloro-15,17-dihydroxy-2-methyl-2,3,4,7,8,9,10,11-octahydro-1H-2-benzazacyclopentadecine-1,12(13H)-dione","2014-01-29"],["VT8","5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","C11 H17 Cl2 N2 O13 P3","N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Cl)Cl)=O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O","InChI=1S/C11H17Cl2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1","","2018-03-26","2018-06-15","5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine","2018-06-20"],["BO6","3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole","C28 H25 N3","C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+](C)cc5)cc4c3c2)cc1;C[n+]1ccc(cc1)C=Cc2ccc3c(c2)c4cc(ccc4[nH]3)C=Cc5cc[n+](cc5)C","InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1","","2019-02-25","2019-10-18","3,6-bis[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9~{H}-carbazole","2019-10-23"],["VTA","4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile","C20 H15 F2 N3 O","c4(c1cc(C#N)ccc1OC2CC2c3ccc(cc3F)F)cc(C)nn4;Cc1[nH]nc(c1)c2cc(ccc2O[CH]3C[CH]3c4ccc(F)cc4F)C#N;Cc1cc(n[nH]1)c2cc(ccc2OC3CC3c4ccc(cc4F)F)C#N","InChI=1S/C20H15F2N3O/c1-11-6-18(25-24-11)16-7-12(10-23)2-5-19(16)26-20-9-15(20)14-4-3-13(21)8-17(14)22/h2-8,15,20H,9H2,1H3,(H,24,25)/t15-,20-/m1/s1","","2020-09-11","2021-01-15","4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile","2021-01-20"],["BO7","2,6-DIMETHOXYBENZOIC ACID","C9 H10 O4","COc1cccc(OC)c1C(O)=O;COc1cccc(c1C(=O)O)OC","InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)","","2011-01-17","2011-07-22","2,6-dimethoxybenzoic acid",""],["BO8","(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID","C9 H20 B N2 O6","O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N;C[CH](NC(=O)CCCC[CH](N)C(O)=O)[B-](O)(O)O;[B-](C(C)NC(=O)CCCCC(C(=O)O)N)(O)(O)O","InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1","","2010-05-04","2024-09-27","[(1S)-1-{[(6R)-6-amino-6-carboxyhexanoyl]amino}ethyl](trihydroxy)borate(1-)",""],["VTB","7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose","C7 H15 O10 P","OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1","[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate;\n7-O-phosphono-alpha-L-galacto-hept-2-ulose; 7-O-phosphono-L-galacto-hept-2-ulose; 7-O-phosphono-galacto-hept-2-ulose","2015-06-19","2020-07-17","[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate","2015-10-14"],["VTC","3-aminophenyl dimethylcarbamate","C9 H12 N2 O2","O=C(Oc1cccc(N)c1)N(C)C;CN(C)C(=O)Oc1cccc(N)c1;CN(C)C(=O)Oc1cccc(c1)N","InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3","","2022-09-02","2022-10-28","3-aminophenyl dimethylcarbamate","2022-11-02"],["BO9","N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE","C26 H41 B N4 O10","O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1;C[CH](NC(=O)[CH](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[CH](NC(=O)OC(C)(C)C)C(O)=O)B(O)O;B(C(C)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C)(O)O","InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1","BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA","2005-04-18","2024-09-27","N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide",""],["BOA","2-BROMO-6-HYDROXY-PURINE","C5 H3 Br N4 O","Brc1nc(O)c2c(n1)ncn2;Oc1nc(Br)nc2nc[nH]c12;c1[nH]c2c(n1)nc(nc2O)Br","InChI=1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)","","2002-07-18","2011-06-04","2-bromo-7H-purin-6-ol",""],["VTD","3-(3-chlorophenyl)-5-methyl-1H-pyrazole","C10 H9 Cl N2","c1(cc(C)nn1)c2cc(ccc2)Cl;Cc1[nH]nc(c1)c2cccc(Cl)c2;Cc1cc(n[nH]1)c2cccc(c2)Cl","InChI=1S/C10H9ClN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)","","2020-09-11","2021-01-15","3-(3-chlorophenyl)-5-methyl-1H-pyrazole","2021-01-20"],["VTE","~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide","C22 H22 N2 O6","Oc1cc(cc(O)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4;c1cc2c(cc1C(=O)NCCN3CCCC3)cc(o2)C(=O)c4cc(c(c(c4)O)O)O","InChI=1S/C22H22N2O6/c25-16-10-15(11-17(26)21(16)28)20(27)19-12-14-9-13(3-4-18(14)30-19)22(29)23-5-8-24-6-1-2-7-24/h3-4,9-12,25-26,28H,1-2,5-8H2,(H,23,29)","","2023-03-31","2024-06-14","~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide","2024-06-19"],["BOB","(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid","C19 H35 N3 O8 S","O=C(NC(C(=O)NCC(=O)O)CSC(C(O)CCCCC)CCO)CCC(C(=O)O)N;CCCCC[CH](O)[CH](CCO)SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CCCCCC(C(CCO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","InChI=1S/C19H35N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h12-15,23-24H,2-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12-,13-,14+,15-/m0/s1","L-gamma-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinylglycine","2009-08-12","2021-03-13","L-gamma-glutamyl-S-[(3S,4R)-1,4-dihydroxynonan-3-yl]-L-cysteinylglycine",""],["VTF","~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide","C25 H27 N7 O5 S2","CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4nc(C)cc(n4)C#N)[S](C)(=O)=O;Cc1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)NC(=O)c4ccccc4N(C)S(=O)(=O)C)C#N","InChI=1S/C25H27N7O5S2/c1-18-16-20(17-26)29-25(27-18)31-12-14-32(15-13-31)39(36,37)21-10-8-19(9-11-21)28-24(33)22-6-4-5-7-23(22)30(2)38(3,34)35/h4-11,16H,12-15H2,1-3H3,(H,28,33)","","2023-09-18","2024-04-12","~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide","2024-04-17"],["BOC","TERT-BUTYL HYDROGEN CARBONATE","C5 H10 O3","O=C(O)OC(C)(C)C;CC(C)(C)OC(O)=O;CC(C)(C)OC(=O)O","InChI=1S/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)","","1999-07-08","2024-09-27","tert-butyl hydrogen carbonate",""],["VTG","(4-methylphenyl)methanol","C8 H10 O","c1(ccc(cc1)C)CO;Cc1ccc(CO)cc1;Cc1ccc(cc1)CO","InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3","4-methylbenzyl alcohol","2020-09-11","2021-03-01","(4-methylphenyl)methanol","2020-09-23"],["BOD","5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine","C19 H22 N8 O","c1(c(cnc(N)n1)N4CCN(c2cc(ccc2)c3cnc(nc3)OC)CC4)N;COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(N)nc4N;COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N","InChI=1S/C19H22N8O/c1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25)","","2017-08-17","2018-08-17","5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine","2018-08-22"],["VTH","4-methoxy-2-nitrobenzonitrile","C8 H6 N2 O3","COc1ccc(C#N)c(c1)[N+]([O-])=O;COc1ccc(C#N)c(c1)[N+]([O-])=O;COc1ccc(c(c1)[N+](=O)[O-])C#N","InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3","","2022-09-02","2026-04-06","4-methoxy-2-nitrobenzonitrile","2022-11-02"],["BOE","2'-O-[2-(BENZYLOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE","C19 H25 N2 O10 P","O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCOCc2ccccc2)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCOCc3ccccc3)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOCc3ccccc3","InChI=1S/C19H25N2O10P/c1-12-9-21(19(24)20-17(12)23)18-16(15(22)14(31-18)11-30-32(25,26)27)29-8-7-28-10-13-5-3-2-4-6-13/h2-6,9,14-16,18,22H,7-8,10-11H2,1H3,(H,20,23,24)(H2,25,26,27)/t14-,15-,16-,18-/m1/s1","","2004-12-21","2011-06-04","2'-O-[2-(benzyloxy)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)",""],["VTI","N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide","C20 H19 Cl2 N5 O2","Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[N@H])NC(=O)Cn3c2ccccc2cc3;CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)Cn2ccc3ccccc23)cc1Cl;CC(=O)Nc1c(cc(cc1Cl)CNC(=N)NC(=O)Cn2ccc3c2cccc3)Cl","InChI=1S/C20H19Cl2N5O2/c1-12(28)25-19-15(21)8-13(9-16(19)22)10-24-20(23)26-18(29)11-27-7-6-14-4-2-3-5-17(14)27/h2-9H,10-11H2,1H3,(H,25,28)(H3,23,24,26,29)","","2013-01-28","2013-11-08","N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide","2013-11-13"],["BOF","(3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one","C23 H25 N5 O","CN5c3c(cc(c1nnc(n1c2ccc(cc2)C)C)cc3)N(C4CC4)C(C)C5=O;C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4nnc(C)n4c5ccc(C)cc5;Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N(C(C(=O)N4C)C)C5CC5)C","InChI=1S/C23H25N5O/c1-14-5-8-19(9-6-14)28-16(3)24-25-22(28)17-7-12-20-21(13-17)27(18-10-11-18)15(2)23(29)26(20)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1","","2019-02-26","2020-02-21","(3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one","2020-02-26"],["VTJ","compound","C29 H30 N2 O3 S","C[S](=O)(=O)c1cccc2[nH]c3c(CCCc4ccc(CN5CC[C](O)(C5)c6ccccc6)cc34)c12;CS(=O)(=O)c1cccc2c1c3c([nH]2)-c4cc(ccc4CCC3)CN5CCC(C5)(c6ccccc6)O","InChI=1S/C29H30N2O3S/c1-35(33,34)26-12-6-11-25-27(26)23-10-5-7-21-14-13-20(17-24(21)28(23)30-25)18-31-16-15-29(32,19-31)22-8-3-2-4-9-22/h2-4,6,8-9,11-14,17,30,32H,5,7,10,15-16,18-19H2,1H3/t29-/m1/s1","","2023-03-31","2023-09-22","","2023-09-27"],["BOG","octyl beta-D-glucopyranoside","C14 H28 O6","O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1","Beta-Octylglucoside; octyl beta-D-glucoside; octyl D-glucoside; octyl glucoside","1999-07-08","2020-07-17","octyl beta-D-glucopyranoside",""],["BOH","(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide","C14 H15 N3 O3 S","C[CH](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N","InChI=1S/C14H15N3O3S/c1-7(15)13(20)17-14-16-11(8(2)18)12(21-14)9-4-3-5-10(19)6-9/h3-7,19H,15H2,1-2H3,(H,16,17,20)/t7-/m1/s1","","2017-10-11","2018-10-26","(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide","2018-10-31"],["VTK","2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide","C20 H25 N3 O5 S2","CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)[S](C)(=O)=O;CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C","InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)","","2023-09-18","2024-04-12","2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide","2024-04-17"],["VTL","4-(2-hydroxyethyl)-2-methoxyphenol","C9 H12 O3","Oc1ccc(cc1OC)CCO;COc1cc(CCO)ccc1O;COc1cc(ccc1O)CCO","InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3","","2022-09-02","2022-10-28","4-(2-hydroxyethyl)-2-methoxyphenol","2022-11-02"],["BOI","[[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C18 H24 Cl N3 O11 P2","CN1C(=O)N(C=CC1=NOCc2ccc(Cl)cc2)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;CN1C(=NOCc2ccc(cc2)Cl)C=CN(C1=O)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C18H24ClN3O11P2/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28)/b20-14+/t13-,15-,16-,17-/m1/s1","","2021-12-08","2022-08-22","[[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2022-02-16"],["VTM","[3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid","C22 H25 F3 N5 O3 P S","CSc1ccc(CO[P](C)(O)=O)cc1Nc2nc(cc(c2C#N)C(F)(F)F)N3C[CH]4CNC[CH]4C3;CP(=O)(O)OCc1ccc(c(c1)Nc2c(c(cc(n2)N3CC4CNCC4C3)C(F)(F)F)C#N)SC","InChI=1S/C22H25F3N5O3PS/c1-34(31,32)33-12-13-3-4-19(35-2)18(5-13)28-21-16(7-26)17(22(23,24)25)6-20(29-21)30-10-14-8-27-9-15(14)11-30/h3-6,14-15,27H,8-12H2,1-2H3,(H,28,29)(H,31,32)/t14-,15+","","2023-03-31","2024-07-05","[3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid","2024-07-10"],["BOJ","5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine","C17 H24 N6","c3cc(N2CCN(c1c(CCC)nc(N)nc1N)CC2)ccc3;CCCc1nc(N)nc(N)c1N2CCN(CC2)c3ccccc3;CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3","InChI=1S/C17H24N6/c1-2-6-14-15(16(18)21-17(19)20-14)23-11-9-22(10-12-23)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H4,18,19,20,21)","","2017-08-17","2018-08-17","5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine","2018-08-22"],["VTN","N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide","C18 H14 Cl2 N2 O2","Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)C=C;Clc1cc(Oc2cc(CCNC(=O)C=C)ccc2Cl)cc(c1)C#N;C=CC(=O)NCCc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl","InChI=1S/C18H14Cl2N2O2/c1-2-18(23)22-6-5-12-3-4-16(20)17(9-12)24-15-8-13(11-21)7-14(19)10-15/h2-4,7-10H,1,5-6H2,(H,22,23)","","2023-09-18","2023-11-03","N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide","2023-11-08"],["BOL","2-iodo-N-phenylbenzamide","C13 H10 I N O","Ic1ccccc1C(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)c2ccccc2I","InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)","","2010-02-23","2011-06-04","2-iodo-N-phenyl-benzamide",""],["BOM","HEXADECA-10,12-DIEN-1-OL","C16 H30 O","OCCCCCCCCCC=CC=C/CCC;CCCC=CC=CCCCCCCCCCO;CCCC=CC=CCCCCCCCCCO","InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+","BOMBYKOL","2000-01-14","2020-06-17","(10E,12Z)-hexadeca-10,12-dien-1-ol",""],["VTO","ethyl 2-aminopyridine-4-carboxylate","C8 H10 N2 O2","Nc1cc(ccn1)C(=O)OCC;CCOC(=O)c1ccnc(N)c1;CCOC(=O)c1ccnc(c1)N","InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3,(H2,9,10)","","2022-09-02","2022-10-28","ethyl 2-aminopyridine-4-carboxylate","2022-11-02"],["VTP","(2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate","C40 H68 O7 P2","O=P(O)(O)OP(=O)(OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O;CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C","InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23-,37-25-,38-27-,39-29-,40-31-","","2012-02-21","2012-03-30","(2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate",""],["BON","N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide","C12 H19 B N2 O4 S","O=S(=O)(N)Nc2ccc(B1OC(C)(C)C(O1)(C)C)cc2;CC1(C)OB(OC1(C)C)c2ccc(N[S](N)(=O)=O)cc2;B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N","InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)","","2010-05-03","2011-06-04","N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfuric diamide",""],["VTQ","RRR-ALPHA-TOCOPHERYLQUINONE","C29 H50 O3","O=C1C(=C(C(=O)C(=C1CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C;CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C","InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1","","2003-08-08","2011-06-04","2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione",""],["BOP","1-BROMO-4-METHOXYBENZENE","C7 H7 Br O","4-bromophenyl methyl ether;COc1ccc(Br)cc1;COc1ccc(cc1)Br","InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3","","2003-11-24","2011-08-06","1-bromo-4-methoxybenzene",""],["BOQ","ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate","C12 H19 N O3","CCOC(=O)c1cc(oc1CN)C(C)(C)C;CCOC(=O)c1cc(oc1CN)C(C)(C)C","InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3","","2017-10-12","2019-02-01","ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate","2019-02-06"],["VTR","2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide","C22 H20 Br2 N2 O6","Oc1c(O)c(Br)c(c(Br)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4;c1cc2c(cc1C(=O)NCCN3CCCC3)cc(o2)C(=O)c4c(c(c(c(c4Br)O)O)O)Br","InChI=1S/C22H20Br2N2O6/c23-16-15(17(24)20(29)21(30)19(16)28)18(27)14-10-12-9-11(3-4-13(12)32-14)22(31)25-5-8-26-6-1-2-7-26/h3-4,9-10,28-30H,1-2,5-8H2,(H,25,31)","","2023-03-31","2024-06-14","2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide","2024-06-19"],["BOR","(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID","C5 H15 B N4 O2","OB(O)C(N)CCCNC(=[N@H])N;N[CH](CCCNC(N)=N)B(O)O;B(C(CCCNC(=N)N)N)(O)O","InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1","BORO ARGININE","2003-03-24","2024-09-27","[(1R)-1-amino-4-carbamimidamidobutyl]boronic acid",""],["VTS","N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide","C19 H16 Cl2 N2 O3","Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)OCCN(C)C(=O)C=C;CN(CCOc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1)C(=O)C=C;CN(CCOc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl)C(=O)C=C","InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-15-4-5-17(21)18(11-15)26-16-9-13(12-22)8-14(20)10-16/h3-5,8-11H,1,6-7H2,2H3","","2023-09-18","2023-11-03","N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide","2023-11-08"],["VTT","3-methylthiophene-2-carbohydrazide","C6 H8 N2 O S","O=C(NN)c1sccc1C;Cc1ccsc1C(=O)NN;Cc1ccsc1C(=O)NN","InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)","","2022-09-02","2022-10-28","3-methylthiophene-2-carbohydrazide","2022-11-02"],["BOS","N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE","C13 H12 N2 O3 S2","O=C(c1ccccc1S)Nc2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1;c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S","InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)","","2006-06-23","2011-06-04","N-(4-sulfamoylphenyl)-2-sulfanylbenzamide",""],["VTU","bis-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(IV)O2","C16 H20 N2 O6 V","CCC1=C2O[V+4]3(=O)(=O)(OC4=C(CC)N(C)C=CC4=[O-]3)[O-]=C2C=CN1C;CCC1=C2C(=[O-][V+4]3(=O)(=O)(O2)[O-]=C4C=CN(C(=C4O3)CC)C)C=CN1C","InChI=1S/2C8H11NO2.2O.V/c2*1-3-6-8(11)7(10)4-5-9(6)2;;;/h2*4-5,11H,3H2,1-2H3;;;/q;;;;+4/p-2","2,2'-diethyl-3,3'-dimethyl-8,8'-spirobi[7$l^{3},9-dioxa-3-aza-8$l^{8}-vanadabicyclo[4.3.0]nona-1,4,6-triene] 8,8-dioxide","2023-03-31","2023-06-02","2,2'-diethyl-3,3'-dimethyl-8,8'-spirobi[7$l^{3},9-dioxa-3-aza-8$l^{8}-vanadabicyclo[4.3.0]nona-1,4,6-triene] 8,8-dioxide","2023-06-07"],["BOT","BENZOTHIAZOLE","C7 H5 N S","n1c2ccccc2sc1;s1cnc2ccccc12;c1ccc2c(c1)ncs2","InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H","","1999-07-08","2008-10-14","1,3-benzothiazole",""],["VTV","N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide","C19 H16 Cl2 N2 O2","Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCN(C)C(=O)C=C;CN(CCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1)C(=O)C=C;CN(CCc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl)C(=O)C=C","InChI=1S/C19H16Cl2N2O2/c1-3-19(24)23(2)7-6-13-4-5-17(21)18(10-13)25-16-9-14(12-22)8-15(20)11-16/h3-5,8-11H,1,6-7H2,2H3","","2023-09-18","2023-11-03","N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide","2023-11-08"],["BOU","(2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic\nacid","C22 H22 N2 O6 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3ccccc3c2ccccc2C(=O)O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)c2ccccc2c3ccccc3C(O)=O)C=O;CC1(C(NC(S1)C(C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C","InChI=1S/C22H22N2O6S/c1-22(2)17(21(29)30)24-19(31-22)16(11-25)23-18(26)14-9-5-3-7-12(14)13-8-4-6-10-15(13)20(27)28/h3-11,16-17,19,24H,1-2H3,(H,23,26)(H,27,28)(H,29,30)/t16-,17+,19-/m1/s1","CBAP, open form; benzoyl-6-amino penicilloic acid, open form","2011-06-13","2024-09-27","(2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["VTW","3-phenyl-1,2-oxazole-5-carboxylic acid","C10 H7 N O3","O=C(O)c1cc(no1)c1ccccc1;OC(=O)c1onc(c1)c2ccccc2;c1ccc(cc1)c2cc(on2)C(=O)O","InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)","","2022-09-02","2022-10-28","3-phenyl-1,2-oxazole-5-carboxylic acid","2022-11-02"],["BOV","4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide","C22 H27 F2 N5 O4","CC(C)C[CH](NC(=O)c1[nH]c2cccc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF;CC(C)CC(C(=O)NN(CC1CCNC1=O)C(=O)CF)NC(=O)c2cc3c([nH]2)cccc3F","InChI=1S/C22H27F2N5O4/c1-12(2)8-17(27-21(32)18-9-14-15(24)4-3-5-16(14)26-18)22(33)28-29(19(30)10-23)11-13-6-7-25-20(13)31/h3-5,9,12-13,17,26H,6-8,10-11H2,1-2H3,(H,25,31)(H,27,32)(H,28,33)/t13-,17-/m0/s1","","2022-03-29","2024-09-27","4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide","2022-11-09"],["VTX","Vortioxetine","C18 H22 N2 S","Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1;Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3","InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3","1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine; 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine","2022-07-27","2024-03-01","1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine","2024-03-06"],["BOW","octyl sulfamate","C8 H19 N O3 S","O=S(=O)(OCCCCCCCC)N;CCCCCCCCO[S](N)(=O)=O;CCCCCCCCOS(=O)(=O)N","InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)","n-Octyl sulfamate","2009-07-20","2020-06-17","octyl sulfamate",""],["VTY","(5S)-5-hydroxy-3-methylfuran-2(5H)-one","C5 H6 O3","CC1=CC(OC1=O)O;CC1=C[CH](O)OC1=O;CC1=CC(OC1=O)O","InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m0/s1","","2020-09-14","2024-11-19","(5S)-5-hydroxy-3-methylfuran-2(5H)-one","2022-02-16"],["BOX","BENZOIC ACID","C7 H6 O2","O=C(O)c1ccccc1;OC(=O)c1ccccc1;c1ccc(cc1)C(=O)O","InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H","","1999-07-08","2008-10-14","benzoic acid",""],["BOY","[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid","C8 H11 O4 P","Cc1ccc(cc1)C(P(O)(O)=O)O;Cc1ccc(cc1)[CH](O)[P](O)(O)=O;Cc1ccc(cc1)C(O)P(=O)(O)O","InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)/t8-/m1/s1","","2017-08-21","2019-01-11","[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid","2019-01-16"],["VTZ","1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4","C8 H10 N O6 V","CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C;CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C","InChI=1S/C8H11NO2.4O.V/c1-3-6-8(11)7(10)4-5-9(6)2;;;;;/h4-5,11H,3H2,1-2H3;;;;;/q;;3*-1;+4/p-1","","2023-03-31","2023-06-02","","2023-06-07"],["VU0","(1~{S},2~{R},4~{R})-2-azanylbicyclo[2.2.1]heptane-2-carboxylic acid","C8 H13 N O2","N[C]1(C[CH]2CC[CH]1C2)C(O)=O;C1CC2CC1CC2(C(=O)O)N","InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8-/m1/s1","","2023-08-18","2025-02-07","(1~{S},2~{R},4~{R})-2-azanylbicyclo[2.2.1]heptane-2-carboxylic acid","2025-02-12"],["BOZ","BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC","C17 H18 N8 O Zn","[Zn++].NC(N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N;c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N","InChI=1S/C17H18N8O.Zn/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17;/h1-6,14-15H,18-21H2,(H,22,24)(H,23,25);/q;+2","","1999-07-08","2023-09-23","[5-(diaminomethyl)-2-[[6-(diaminomethyl)-1H-benzoimidazol-2-yl]carbonyl]-3H-benzoimidazol-1-yl]zinc",""],["VU1","4-[(piperidin-1-yl)methyl]benzoic acid","C13 H17 N O2","C2CCCN(Cc1ccc(C(O)=O)cc1)C2;OC(=O)c1ccc(CN2CCCCC2)cc1;c1cc(ccc1CN2CCCCC2)C(=O)O","InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)","","2020-09-14","2024-09-27","4-[(piperidin-1-yl)methyl]benzoic acid","2021-10-06"],["BP","(-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE","C20 H16 O3","OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O;O[CH]1Cc2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O","InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1","","1999-07-08","2008-10-14","(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol",""],["VU2","(2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE","C15 H16 Cl N O","Clc1ccc(cc1)COC(c2ccccc2)CN;NC[CH](OCc1ccc(Cl)cc1)c2ccccc2;c1ccc(cc1)C(CN)OCc2ccc(cc2)Cl","InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2/t15-/m1/s1","","2010-08-06","2011-08-19","(2S)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine",""],["BP0","5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)","C8 H12 N6 S3","S(CCc1nnc(s1)N)CCc2nnc(s2)N;Nc1sc(CCSCCc2sc(N)nn2)nn1;C(CSCCc1nnc(s1)N)c2nnc(s2)N","InChI=1S/C8H12N6S3/c9-7-13-11-5(16-7)1-3-15-4-2-6-12-14-8(10)17-6/h1-4H2,(H2,9,13)(H2,10,14)","","2012-04-25","2012-06-08","5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)",""],["VU3","2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE","C21 H24 N2","c2(cc1ccccc1n2)CCN4CCC(c3ccccc3)CC4;C1CN(CCC1c2ccccc2)CCc3[nH]c4ccccc4c3;c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3","InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2","","2010-08-06","2011-08-19","2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole",""],["BP1","6-BROMO-7H-PURINE","C5 H3 Br N4","Brc1ncnc2ncnc12;Brc1ncnc2nc[nH]c12;c1[nH]c2c(n1)ncnc2Br","InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)","BROMOPURINE","2004-02-24","2020-06-17","6-bromo-7H-purine",""],["VU4","4-(2-aminoethyl)benzoic acid","C9 H11 N O2","C(=O)(O)c1ccc(cc1)CCN;NCCc1ccc(cc1)C(O)=O;c1cc(ccc1CCN)C(=O)O","InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)","","2020-09-14","2024-11-19","4-(2-aminoethyl)benzoic acid","2021-10-06"],["BP2","(+)-BORNYL DIPHOSPHATE","C10 H17 O7 P2","CC1(C)[CH]2CC[C]1(C)[CH](C2)O[P]([O-])(=O)O[P]([O-])([O-])=O;CC1(C2CCC1(C(C2)OP(=O)([O-])OP(=O)([O-])[O-])C)C","InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/t7-,8+,10+/m1/s1","","2002-10-25","2011-06-04","[oxido-[[(1R,4R,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl]oxy]phosphoryl] phosphate",""],["VU5","1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one","C8 H16 N2 O2","O=C1CCCN1CC(O)CNC;CNC[CH](O)CN1CCCC1=O;CNCC(CN1CCCC1=O)O","InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/t7-/m0/s1","","2022-09-02","2022-10-28","1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one","2022-11-02"],["BP3","2'-CHLORO-BIPHENYL-2,3-DIOL","C12 H9 Cl O2","Clc2ccccc2c1c(O)c(O)ccc1;Oc1cccc(c1O)c2ccccc2Cl;c1ccc(c(c1)c2cccc(c2O)O)Cl","InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H","","2002-05-01","2011-06-04","2'-chlorobiphenyl-2,3-diol",""],["NQL","2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide","C20 H29 Cl N4 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3;c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl","InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["BP4","biphenyl-4-ylacetic acid","C14 H12 O2","O=C(O)Cc1ccc(cc1)c2ccccc2;OC(=O)Cc1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)CC(=O)O","InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)","","2002-08-23","2024-09-27","biphenyl-4-ylacetic acid",""],["NQM","(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid","C7 H6 O7","O=C(C(CC(=C/C(O)=O)C(O)=O)=O)O;OC(=O)C=C(CC(=O)C(O)=O)C(O)=O;C(C(=CC(=O)O)C(=O)O)C(=O)C(=O)O","InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+","","2019-05-24","2019-07-26","(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid","2019-07-31"],["BP5","3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE","C13 H13 N3 O2","O=C(O)C(N)Cc2cnc(c1ncccc1)cc2;N[CH](Cc1ccc(nc1)c2ccccn2)C(O)=O;c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N","InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1","","2007-05-23","2024-09-27","3-(2,2'-bipyridin-5-yl)-L-alanine",""],["NQN","2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile","C18 H18 Cl N5 O2","C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12;CC(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O","InChI=1S/C18H18ClN5O2/c1-11(25)6-8-24-16-9-12(3-4-15(16)23(2)18(24)26)22-14-5-7-21-17(19)13(14)10-20/h3-5,7,9,11,25H,6,8H2,1-2H3,(H,21,22)/t11-/m1/s1","","2019-12-11","2020-04-17","2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile","2020-04-22"],["BP6","2',6'-DICHLORO-BIPHENYL-2,6-DIOL","C12 H8 Cl2 O2","Clc2cccc(Cl)c2c1c(O)c(O)ccc1;Oc1cccc(c1O)c2c(Cl)cccc2Cl;c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl","InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H","","2002-05-01","2011-06-04","2',6'-dichlorobiphenyl-2,3-diol",""],["NQO","2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide","C13 H12 Cl N3 O","Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1;Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2;Cc1ccnnc1NC(=O)Cc2cccc(c2)Cl","InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide","2023-11-08"],["BP7","1,1'-BIPHENYL-3,4-DIOL","C12 H10 O2","Oc2ccc(c1ccccc1)cc2O;Oc1ccc(cc1O)c2ccccc2;c1ccc(cc1)c2ccc(c(c2)O)O","InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H","3,4-DIHYDROXYBIPHENYL","2005-12-14","2021-03-13","biphenyl-3,4-diol",""],["NQP","4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","C31 H42 N6 O4","[C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C;COc1cc(ccc1Nc2ccc3N(CCC=C)C(=O)[CH](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN(C)CC5;CC1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C","InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1","","2019-05-24","2020-05-22","4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide","2020-05-27"],["BP8","5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)","C9 H14 N6 S2","n1nc(sc1CCCCCc2nnc(s2)N)N;Nc1sc(CCCCCc2sc(N)nn2)nn1;C(CCc1nnc(s1)N)CCc2nnc(s2)N","InChI=1S/C9H14N6S2/c10-8-14-12-6(16-8)4-2-1-3-5-7-13-15-9(11)17-7/h1-5H2,(H2,10,14)(H2,11,15)","","2012-05-07","2012-06-08","5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)",""],["NQQ","2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile","C19 H20 Cl N5 O2","CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3C#N)ccc12;CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O","InChI=1S/C19H20ClN5O2/c1-19(2,27)7-9-25-16-10-12(4-5-15(16)24(3)18(25)26)23-14-6-8-22-17(20)13(14)11-21/h4-6,8,10,27H,7,9H2,1-3H3,(H,22,23)","","2019-12-11","2020-04-17","2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile","2020-04-22"],["BP9","5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)","C8 H12 N6 S2","n1nc(sc1CCCCc2nnc(s2)N)N;Nc1sc(CCCCc2sc(N)nn2)nn1;C(CCc1nnc(s1)N)Cc2nnc(s2)N","InChI=1S/C8H12N6S2/c9-7-13-11-5(15-7)3-1-2-4-6-12-14-8(10)16-6/h1-4H2,(H2,9,13)(H2,10,14)","","2012-05-07","2012-06-08","5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)",""],["NQR","(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone","C18 H18 N2 O2","Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1;Cc1nc2ccccc2c3oc(cc13)C(=O)N4CCCCC4;Cc1c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4","InChI=1S/C18H18N2O2/c1-12-14-11-16(18(21)20-9-5-2-6-10-20)22-17(14)13-7-3-4-8-15(13)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3","","2022-04-07","2023-04-21","(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone","2023-04-26"],["BPA","7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE","C20 H16 O3","OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O;O[CH]1Cc2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O","InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19+,20+/m1/s1","","2001-06-18","2011-06-04","(7S,8S,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol",""],["NQS","2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione","C12 H10 O3 S","O=C2c1c(cccc1)C(=O)C(SCCO)=C2;OCCSC1=CC(=O)c2ccccc2C1=O;c1ccc2c(c1)C(=O)C=C(C2=O)SCCO","InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2","","2014-04-24","2024-09-27","2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione","2014-11-05"],["BPB","BACTERIOPHEOPHYTIN B","C55 H74 N4 O6","O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)/C(=C/C)C5C)C)C6C;COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC=C1c2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C","InChI=1S/C55H74N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,25,27-32,34-35,40,51,57,59H,14-24,26H2,1-12H3/b33-25+,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,40+,51-/m1/s1","","1999-07-08","2011-11-17","methyl (3S,4S,13R,14E,21R)-9-acetyl-14-ethylidene-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate",""],["NQT","5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","C22 H26 Cl N7 O2","CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n4nc(C)cc4C)ccc12;Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C","InChI=1S/C22H26ClN7O2/c1-13-10-14(2)30(27-13)20-24-12-16(23)19(26-20)25-15-6-7-17-18(11-15)29(21(31)28(17)5)9-8-22(3,4)32/h6-7,10-12,32H,8-9H2,1-5H3,(H,24,25,26)","","2019-12-11","2020-04-17","5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","2020-04-22"],["BPC","(7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL","C20 H16 O3","OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O;O[CH]1Cc2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O","InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1","","2001-10-04","2008-10-14","(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol",""],["BPD","N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID","C21 H12 F3 N O5","FC(F)(F)c4cc(N1c3c(Oc2c1cccc2C(=O)O)c(ccc3)C(=O)O)ccc4;OC(=O)c1cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)c4Oc12;c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F","InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)","","2000-01-28","2011-06-04","10-[3-(trifluoromethyl)phenyl]-10H-phenoxazine-4,6-dicarboxylic acid",""],["NQU","2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","C21 H28 Cl2 N2 O3","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Oc3ccc(Cl)cc3;c1cc(ccc1OC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C21H28Cl2N2O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-2-1-3-11-21)28-18-6-4-17(23)5-7-18/h4-7,16H,1-3,8-15H2,(H,24,26)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["NQV","4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide","C30 H42 N6 O3","c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O;CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5;CC1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C","InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1","","2019-05-24","2020-05-22","4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide","2020-05-27"],["BPE","(2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-1-OL","C6 H16 N2 O S","OCC(N)CSCCCN;NCCCSC[CH](N)CO;C(CN)CSCC(CO)N","InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1","S-PROPYLAMINE-L-CYSTEINE","2005-05-20","2024-09-27","(2R)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol",""],["NQW","5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","C23 H31 Cl N6 O3","C[CH]1CN(C[CH](C)O1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2;CC1CN(CC(O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl","InChI=1S/C23H31ClN6O3/c1-14-12-29(13-15(2)33-14)21-25-11-17(24)20(27-21)26-16-6-7-18-19(10-16)30(22(31)28(18)5)9-8-23(3,4)32/h6-7,10-11,14-15,32H,8-9,12-13H2,1-5H3,(H,25,26,27)/t14-,15+","","2019-12-11","2020-04-17","5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","2020-04-22"],["BPF","N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium","C22 H26 N4 O","o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3;CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH+]CC;CC[NH+]=C(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(=[NH+]CC)N)N","InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2","DB185; FURAMIDINE DERIVATIVE","1999-07-08","2020-06-17","N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium",""],["NQX","6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione","C23 H28 N4 O5","CN1C(=O)N(C(=O)c2c(C)c(ccc12)[CH](O)C3[CH](O)CCC[CH]3O)c4nc(C)cc(C)n4;Cc1cc(nc(n1)N2C(=O)c3c(c(ccc3N(C2=O)C)C(C4C(CCCC4O)O)O)C)C","InChI=1S/C23H28N4O5/c1-11-10-12(2)25-22(24-11)27-21(31)18-13(3)14(8-9-15(18)26(4)23(27)32)20(30)19-16(28)6-5-7-17(19)29/h8-10,16-17,19-20,28-30H,5-7H2,1-4H3/t16-,17-,20+/m1/s1","","2023-01-18","2023-12-15","6-[(~{R})-[(2~{R},6~{R})-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione","2023-12-20"],["BPG","9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE","C15 H17 N5 O2","O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO;OCCCCn1cnc2C(=O)NC(=Nc12)Nc3ccccc3;c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2","InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)","","1999-07-08","2011-06-04","9-(4-hydroxybutyl)-2-(phenylamino)-1,9-dihydro-6H-purin-6-one",""],["BPH","BACTERIOPHEOPHYTIN A","C55 H76 N4 O6","O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C;CC[CH]1[CH](C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O;CCC1c2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C","InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1","","2004-12-07","2013-03-11","methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate",""],["NQY","3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide","C26 H34 N6 O3","c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C;COc1cc(ccc1Nc2ccc3N(C)C(=O)[CH]4CCCCN4c3n2)C(=O)NC5CCN(C)CC5;CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCCC5C(=O)N4C","InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1","","2019-05-24","2020-05-22","3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide","2020-05-27"],["NQZ","5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","C24 H31 Cl F2 N6 O2","C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2;CC1CN(CC(C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl","InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+","","2019-12-11","2020-04-17","5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","2020-04-22"],["BPI","(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL","C18 H16 O3","OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O;O[CH]1Cc2c(ccc3ccc4ccccc4c23)[CH](O)[CH]1O;c1ccc2c(c1)ccc3c2c4c(cc3)C(C(C(C4)O)O)O","InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1","1S-TRANS-ANTI-BENZO[C]PHENANTHRENE","2001-01-25","2021-03-01","(2R,3R,4R)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol",""],["NR0","N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide","C13 H17 N7 O4","OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21;N[CH]1COC[CH]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC3N)N","InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1","","2022-04-07","2024-09-27","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine","2023-04-05"],["BPJ","(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL","C18 H16 O3","OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O;O[CH]1Cc2c(ccc3ccc4ccccc4c23)[CH](O)[CH]1O;c1ccc2c(c1)ccc3c2c4c(cc3)C(C(C(C4)O)O)O","InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m0/s1","1R-TRANS-ANTI-BENZO[C]PHENANTHRENE","2001-01-25","2020-06-17","(2S,3S,4S)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol",""],["NR1","(3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium","C5 H13 N O5 P","P(O)(O)(=O)OCC1C(C[NH2+]C1)O;O[CH]1C[NH2+]C[CH]1CO[P](O)(O)=O;C1C(C(C[NH2+]1)O)COP(=O)(O)O","InChI=1S/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/p+1/t4-,5+/m1/s1","","2015-09-14","2015-09-18","(3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium","2015-09-23"],["BPK","{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol","C18 H17 N O3","n1c(c(oc1c2ccccc2)C)COc3cc(ccc3)CO;Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3;Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO","InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3","","2011-09-14","2012-08-31","{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol","2012-08-31"],["BPL","1-BENZO[A]PYREN-6-YL-3-METHYL-UREA","C22 H16 N2 O","O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5;CNC(=O)Nc1c2ccccc2c3ccc4cccc5ccc1c3c45;CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5","InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25)","6-[3-METHYLUREAYL]-BENZO[A]PYRENE","2000-03-20","2020-06-17","1-benzo[pqr]tetraphen-6-yl-3-methylurea",""],["NR2","N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE","C14 H15 N3 O5 S2","O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(=O)(=O)N;Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2ccc(cc2)[S](N)(=O)=O;Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)","","2005-09-13","2011-06-04","4-methyl-N-[(4-sulfamoylphenyl)carbamoyl]benzenesulfonamide",""],["NR3","(1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate","C12 H24 O12 S2","OC[CH](O)[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O","InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11+,12+,25-/m0/s1","","2010-01-07","2011-06-04","[(2S,3S,4R,5S,6S)-1-[(1S,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxy-heptan-3-yl] sulfate",""],["BPM","4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN","C13 H14 O8 P2","O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(=O)(O)O)cc2;O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc2)cc1;c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C13H14O8P2/c14-22(15,16)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)","bis-(para-phosphophenyl)","1999-07-08","2021-03-01","methanediyldibenzene-4,1-diyl bis[dihydrogen (phosphate)]",""],["BPN","PARANITROBENZYL ALCOHOL","C7 H7 N O3","[O-][N+](=O)c1ccc(cc1)CO;OCc1ccc(cc1)[N+]([O-])=O;c1cc(ccc1CO)[N+](=O)[O-]","InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2","","1999-07-08","2011-06-04","(4-nitrophenyl)methanol",""],["NR4","(1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate","C12 H24 O12 S2","OC[CH](O)[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O","InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-,25+/m1/s1","","2010-01-07","2011-06-04","[(2S,3S,4R,5S,6R)-1-[(1S,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxy-heptan-3-yl] sulfate",""],["NR5","5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","C25 H35 Cl N6 O3","CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC(C)(C)C4)ccc12;CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C","InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)","","2019-12-11","2020-04-17","5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one","2020-04-22"],["BPO","3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE","C28 H28 N4 O3","O=C(N2CCC(C(=O)c1ccccc1)CC2)C(c3ccccc3)NC(=O)c4cccc(C(=[N@H])N)c4;NC(=N)c1cccc(c1)C(=O)N[CH](C(=O)N2CC[CH](CC2)C(=O)c3ccccc3)c4ccccc4;[H]N=C(c1cccc(c1)C(=O)NC(c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)N","InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1","","2001-07-18","2011-06-04","3-carbamimidoyl-N-{(1R)-2-oxo-1-phenyl-2-[4-(phenylcarbonyl)piperidin-1-yl]ethyl}benzamide",""],["BPP","2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide","C22 H24 N4 O","O=C(c1cc2cc(ccc2[NH]1)C(=N)N)N1CCC(Cc2ccccc2)CC1;NC(=N)c1ccc2[nH]c(cc2c1)C(=O)N3CCC(CC3)Cc4ccccc4;c1ccc(cc1)CC2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)C(=N)N","InChI=1S/C22H24N4O/c23-21(24)17-6-7-19-18(13-17)14-20(25-19)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H3,23,24)","5-amidinoindole-4-benzylpiperidin","1999-10-11","2021-04-19","2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide",""],["NR6","2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide","C18 H22 Cl2 N2 O3","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(Cl)cc3;c1cc(ccc1OC2(CC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C18H22Cl2N2O3/c19-11-16(23)21-12-13-5-9-22(10-6-13)17(24)18(7-8-18)25-15-3-1-14(20)2-4-15/h1-4,13H,5-12H2,(H,21,23)","","2022-08-17","2024-09-27","2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["NR7","methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","C29 H30 Cl N5 O4","c1c(cc2c(c1)c5cnc(C(CC=CCCC(N2)=O)N4C(CC(c3cccc(Cl)c3)CC4)=O)n5)NC(OC)=O;COC(=O)Nc1ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](CC3=O)c4cccc(Cl)c4)c5[nH]cc2n5)c1;COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc2n3)N4CCC(CC4=O)c5cccc(c5)Cl","InChI=1S/C29H30ClN5O4/c1-39-29(38)32-21-10-11-22-23(16-21)33-26(36)9-4-2-3-8-25(28-31-17-24(22)34-28)35-13-12-19(15-27(35)37)18-6-5-7-20(30)14-18/h2-3,5-7,10-11,14,16-17,19,25H,4,8-9,12-13,15H2,1H3,(H,31,34)(H,32,38)(H,33,36)/b3-2+/t19-,25-/m0/s1","","2019-05-24","2019-09-13","methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2019-09-18"],["BPQ","tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate","C12 H17 N5 O3","O=C(OC(C)(C)C)NCc1cnc2N=C(NC(=O)c12)N;CC(C)(C)OC(=O)NCc1c[nH]c2N=C(N)NC(=O)c12;CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N","InChI=1S/C12H17N5O3/c1-12(2,3)20-11(19)15-5-6-4-14-8-7(6)9(18)17-10(13)16-8/h4H,5H2,1-3H3,(H,15,19)(H4,13,14,16,17,18)","","2007-12-13","2011-06-04","tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate",""],["NR8","2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile","C18 H18 Cl N5 O2","CC[CH](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12;CCC(CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O","InChI=1S/C18H18ClN5O2/c1-3-12(25)10-24-16-8-11(4-5-15(16)23(2)18(24)26)22-14-6-7-21-17(19)13(14)9-20/h4-8,12,25H,3,10H2,1-2H3,(H,21,22)/t12-/m0/s1","","2019-12-11","2020-04-17","2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile","2020-04-22"],["BPR","(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE","C9 H17 B N2 O3","O=C(N1C(B(O)O)CCC1)C2NCCC2;OB(O)[CH]1CCCN1C(=O)[CH]2CCCN2;B(C1CCCN1C(=O)C2CCCN2)(O)O","InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1","","2005-08-19","2024-09-27","[(2R)-1-L-prolylpyrrolidin-2-yl]boronic acid",""],["BPS","1,1'-BIPHENYL-2-SULFINIC ACID","C12 H10 O2 S","O=S(O)c2ccccc2c1ccccc1;O[S](=O)c1ccccc1c2ccccc2;c1ccc(cc1)c2ccccc2S(=O)O","InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14)","BIPHENYL-2-SULFINIC ACID","2004-10-15","2020-06-17","biphenyl-2-sulfinic acid",""],["NR9","(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one","C18 H13 N3 O S2","O=C1N=C(S/C1=Cc3cc2cccnc2cc3)NCc4sccc4;O=C1N=C(NCc2sccc2)SC1=Cc3ccc4ncccc4c3;c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cccs4","InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-","","2010-07-02","2011-06-04","(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one",""],["BPT","BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX","C4 H24 Cl2 N6 Pt2","N.N.N.N.NCCCCN.Cl[Pt].Cl[Pt];C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl","InChI=1S/C4H12N2.2ClH.4H3N.2Pt/c5-3-1-2-4-6;;;;;;;;/h1-6H2;2*1H;4*1H3;;/q;;;;;;;2*+1/p-2","1,1/T,T","1999-07-08","2025-11-11","chloranyl-[4-[(chloranyl-bis($l^{4}-azanyl)platinio)-$l^{4}-azanyl]butyl-$l^{4}-azanyl]-bis($l^{4}-azanyl)platinum",""],["NRA","norathyriol","C13 H8 O6","O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3;Oc1cc(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1;c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O","InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H","1,3,6,7-tetrahydroxy-9H-xanthen-9-one","2011-06-13","2021-03-13","1,3,6,7-tetrahydroxy-9H-xanthen-9-one",""],["NRB","NARBOMYCIN","C28 H47 N O7","O=C2C(C(OC1OC(CC(N(C)C)C1O)C)C(C)CC(C(=O)C=CC(C)C(OC(=O)C2C)CC)C)C;CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C;CCC1C(C=CC(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)C","InChI=1S/C28H47NO7/c1-10-23-15(2)11-12-22(30)16(3)13-17(4)26(19(6)24(31)20(7)27(33)35-23)36-28-25(32)21(29(8)9)14-18(5)34-28/h11-12,15-21,23,25-26,28,32H,10,13-14H2,1-9H3/b12-11+/t15-,16-,17+,18+,19-,20-,21-,23-,25-,26+,28-/m1/s1","","2005-11-29","2011-06-04","(3R,5S,6S,7S,9R,11E,13R,14R)-14-ethyl-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-L-lyxo-hexopyranoside",""],["BPU","7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one","C11 H7 Br N2 O","Brc1cc2c(cc1)n3c(C(=O)N2)ccc3;Brc1ccc2n3cccc3C(=O)Nc2c1;c1cc2n(c1)-c3ccc(cc3NC2=O)Br","InChI=1S/C11H7BrN2O/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10/h1-6H,(H,13,15)","","2010-09-30","2012-02-27","7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one",""],["NRC","methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate","C16 H15 Cl N2 O3","O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC;COC(=O)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=O)OC","InChI=1S/C16H15ClN2O3/c1-10-6-7-18-9-13(10)19-15(20)14(16(21)22-2)11-4-3-5-12(17)8-11/h3-9,14H,1-2H3,(H,19,20)/t14-/m1/s1","","2023-08-16","2023-11-03","methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate","2023-11-08"],["BPV","Bromopyruvate","C3 H3 Br O3","BrCC(=O)C(=O)O;OC(=O)C(=O)CBr;C(C(=O)C(=O)O)Br","InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)","Bromopyruvic acid; 3-bromo-2-oxopropanoic acid","2009-06-10","2020-05-26","3-bromo-2-oxopropanoic acid",""],["NRD","(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid","C6 H17 N O7 P2","NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O;C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN","InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)","","2015-11-16","2016-01-15","(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid","2016-01-20"],["BPW","3-(4-chlorophenyl)propan-1-amine","C9 H12 Cl N","NCCCc1ccc(Cl)cc1;c1cc(ccc1CCCN)Cl","InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2","","2017-10-12","2019-02-01","3-(4-chlorophenyl)propan-1-amine","2019-02-06"],["NRE","[(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone","C20 H23 Br F N3 O2","COc1c(F)cccc1C(=O)N2C[CH](C)CC[CH]2CNc3ccc(Br)cn3;CC1CCC(N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br","InChI=1S/C20H23BrFN3O2/c1-13-6-8-15(11-24-18-9-7-14(21)10-23-18)25(12-13)20(26)16-4-3-5-17(22)19(16)27-2/h3-5,7,9-10,13,15H,6,8,11-12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1","","2019-12-11","2020-01-10","[(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone","2020-01-15"],["BPX","(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid","C12 H15 N O6","[O-][N+](=O)CC(O)(O)CC(C(=O)O)Cc1ccccc1;OC(=O)[CH](Cc1ccccc1)CC(O)(O)C[N+]([O-])=O;c1ccc(cc1)CC(CC(C[N+](=O)[O-])(O)O)C(=O)O","InChI=1S/C12H15NO6/c14-11(15)10(6-9-4-2-1-3-5-9)7-12(16,17)8-13(18)19/h1-5,10,16-17H,6-8H2,(H,14,15)/t10-/m1/s1","","2009-01-22","2011-06-04","(2R)-2-benzyl-4,4-dihydroxy-5-nitropentanoic acid",""],["NRF","Norflurazon","C12 H9 Cl F3 N3 O","CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F;CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl","InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3","","2016-12-14","2017-07-07","4-chloranyl-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one","2017-07-12"],["BPY","BIPHENYL-2,3-DIOL","C12 H10 O2","Oc2c(c1ccccc1)cccc2O;Oc1cccc(c2ccccc2)c1O;c1ccc(cc1)c2cccc(c2O)O","InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H","","2000-03-01","2011-06-04","biphenyl-2,3-diol",""],["NRG","N-OMEGA-NITRO-L-ARGININE","C6 H13 N5 O4","[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N;N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O;[H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-]","InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1","NNA","1999-07-28","2024-09-27","N~5~-(N-nitrocarbamimidoyl)-L-ornithine",""],["BPZ","4,4'-cyclohexane-1,1-diyldiphenol","C18 H20 O2","Oc1ccc(cc1)C3(c2ccc(O)cc2)CCCCC3;Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3;c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O","InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2","4,4-Cyclohexylidenebisphenol, bisphenol Z","2008-03-18","2020-06-17","4,4'-cyclohexane-1,1-diyldiphenol",""],["NRH","Norharmane","C11 H8 N2","n3ccc2c1c(cccc1)nc2c3;[nH]1c2ccccc2c3ccncc13;c1ccc2c(c1)c3ccncc3[nH]2","InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","9H-beta-carboline","2013-04-25","2020-06-17","9H-beta-carboline","2013-05-22"],["BQ0","(3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one","C31 H39 N7 O2","CC6N(C1CCCC1)c5cc(c3nc(C(=O)N2CCN(CC2)C)nn3c4c(C)cc(cc4)C)ccc5N(C6=O)C;C[CH]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)c4nc(nn4c5ccc(C)cc5C)C(=O)N6CCN(C)CC6;Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N(C(C(=O)N5C)C)C6CCCC6","InChI=1S/C31H39N7O2/c1-20-10-12-25(21(2)18-20)38-29(32-28(33-38)31(40)36-16-14-34(4)15-17-36)23-11-13-26-27(19-23)37(24-8-6-7-9-24)22(3)30(39)35(26)5/h10-13,18-19,22,24H,6-9,14-17H2,1-5H3/t22-/m1/s1","","2019-02-26","2020-02-21","(3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one","2020-02-26"],["NRI","PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER","C5 H12 N O5 P","O=P(OCC1CNCC1O)(O)O;O[CH]1CNC[CH]1CO[P](O)(O)=O;C1C(C(CN1)O)COP(=O)(O)O","InChI=1S/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,5+/m1/s1","","1999-12-03","2011-06-04","[(3R,4R)-4-hydroxypyrrolidin-3-yl]methyl dihydrogen phosphate",""],["BQ1","Bedaquiline","C32 H31 Br N2 O2","Brc1ccc2nc(OC)c(cc2c1)C(c3ccccc3)C(O)(c5c4ccccc4ccc5)CCN(C)C;COc1nc2ccc(Br)cc2cc1[CH](c3ccccc3)[C](O)(CCN(C)C)c4cccc5ccccc45;CN(C)CCC(c1cccc2c1cccc2)(C(c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O","InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1","","2014-09-26","2015-05-15","(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol","2015-05-20"],["NRJ","methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","C28 H28 Cl N5 O5","c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cccc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O;COC(=O)Nc1ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](OC3=O)c4cccc(Cl)c4)c5[nH]cc2n5)c1;COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc2n3)N4CCC(OC4=O)c5cccc(c5)Cl","InChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1","","2019-05-24","2019-09-13","methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate","2019-09-18"],["BQ2","1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone","C11 H13 N O2","OCC(=O)N1CCc2ccccc2C1;c1ccc2c(c1)CCN(C2)C(=O)CO","InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2","","2017-10-12","2019-02-01","1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone","2019-02-06"],["NRK","(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide","C22 H20 F2 N4 O2","Cc1ncc(OC[C]2(C[CH]2C(=O)Nc3ccc(F)cn3)c4cccc(F)c4)c(C)n1;Cc1c(cnc(n1)C)OCC2(CC2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F","InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1","","2019-12-11","2020-01-10","(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide","2020-01-15"],["BQ3","tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate","C14 H20 N2 O2","C(OC(=O)N1Cc2c(CC1)ccc(N)c2)(C)(C)C;CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1;CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N","InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3","","2019-02-28","2019-10-11","tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate","2019-10-16"],["NRL","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine","C12 H17 N5 O5","OC(=O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O;N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=CC(=NC2=O)N;C1C(C(CO1)N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N","InChI=1S/C12H17N5O5/c13-7-5-22-6-8(7)17(4-11(19)20)10(18)3-16-2-1-9(14)15-12(16)21/h1-2,7-8H,3-6,13H2,(H,19,20)(H2,14,15,21)/t7-,8-/m0/s1","","2022-04-07","2024-09-27","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine","2023-04-05"],["BQ4","(2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid","C10 H8 O5","c1ccc(O)cc1C([C@H]=C(C(O)=O)O)=O;OC(=O)C(O)=CC(=O)c1cccc(O)c1;c1cc(cc(c1)O)C(=O)C=C(C(=O)O)O","InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-5,11,13H,(H,14,15)/b9-5-","3-hydroxy-phenyldiketoacid","2017-08-21","2021-03-01","(2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid","2018-08-22"],["NRM","N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine","C13 H11 N7 S","n4c(Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4;Cc1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1;Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4","InChI=1S/C13H11N7S/c1-8-4-11(21-19-8)18-12-13-15-7-10(9-5-16-17-6-9)20(13)3-2-14-12/h2-7H,1H3,(H,14,18)(H,16,17)","","2010-07-06","2011-06-04","N-(3-methyl-1,2-thiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine",""],["BQ5","(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine","C13 H15 N3","NCc1nn(c2ccccc2)c3CCCc13;c1ccc(cc1)n2c3c(c(n2)CN)CCC3","InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2","","2017-10-12","2019-02-01","(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine","2019-02-06"],["NRN","(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol","C10 H13 N5 O3","Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)O)N","InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1","noraristeromycin","2015-07-31","2021-03-01","(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol","2016-07-27"],["BQ6","4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide","C21 H23 F N4 O4 S","N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1Cc2cc(C)c(F)cc2OC1;Cc1[nH]c(cc1C(=O)N2CC(C)(C2)C#N)[S](=O)(=O)N[CH]3COc4cc(F)c(C)cc4C3;Cc1cc2c(cc1F)OCC(C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N","InChI=1S/C21H23FN4O4S/c1-12-4-14-5-15(8-30-18(14)7-17(12)22)25-31(28,29)19-6-16(13(2)24-19)20(27)26-10-21(3,9-23)11-26/h4,6-7,15,24-25H,5,8,10-11H2,1-3H3/t15-/m0/s1","","2021-11-18","2022-04-01","4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide","2022-04-06"],["NRO","3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid","C16 H15 N O5","[O-][N+](=O)/C(=Cc1oc(cc1)c2cccc(C(=O)O)c2)CCC;CCCC(=Cc1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O-])=O;CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-]","InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-","","2008-03-17","2024-09-27","3-{5-[(1Z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid",""],["BQ7","(3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid","C9 H9 F2 N O2","O=C(O)C(F)(F)C(N)c1ccccc1;N[CH](c1ccccc1)C(F)(F)C(O)=O;c1ccc(cc1)C(C(C(=O)O)(F)F)N","InChI=1S/C9H9F2NO2/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1","","2013-09-16","2024-09-27","(3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid","2014-05-07"],["NRP","{4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C17 H19 N3 O4","O=C1C(N=C(C(=[N@H])CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2;CC(C)CC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O","InChI=1S/C17H19N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,18,21H,7,9H2,1-2H3,(H,22,23)/b14-8+,18-13+","CHROMOPHORE (LEU-TYR-GLY)","2010-04-07","2024-09-27","{(4E)-4-(4-hydroxybenzylidene)-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["BQ8","(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide","C15 H17 N5 O4 S","C[CH](NC(N)=N)C(=O)Nc1sc(c2cc(O)cc(O)c2)c(n1)C(C)=O;CC(C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C)NC(=N)N","InChI=1S/C15H17N5O4S/c1-6(18-14(16)17)13(24)20-15-19-11(7(2)21)12(25-15)8-3-9(22)5-10(23)4-8/h3-6,22-23H,1-2H3,(H4,16,17,18)(H,19,20,24)/t6-/m1/s1","","2017-10-12","2018-10-26","(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide","2018-10-31"],["NRQ","{(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","C16 H17 N3 O4 S","O=C1C(N=C(C(=[N@H])CCSC)N1CC(=O)O)=Cc2ccc(O)cc2;CSCCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;[H]N=C(CCSC)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O","InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,17,20H,6-7,9H2,1H3,(H,21,22)/b13-8-,17-12-","CHROMOPHORE (MET-TYR-GLY)","2003-10-07","2024-09-27","{(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(1Z)-3-(methylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["BQ9","(2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate","C29 H50 O5","C(=O)(CCCC=CCC=[C@H]C[C@H]=CCC)OC(CO)COC(CCCCCCCCCCC)=O;CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCC=CCC=CCC=CCC;CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CCC=CCC","InChI=1S/C29H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h5,7,11,13,16,18,27,30H,3-4,6,8-10,12,14-15,17,19-26H2,1-2H3/b7-5+,13-11+,18-16+/t27-/m1/s1","","2019-02-28","2019-04-26","(2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate","2019-05-01"],["BQA","N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine","C26 H28 Br F3 N2 O3","N2(Cc1c(C(F)(F)F)cccc1)CCC(CC2)(c3ccc(cc3)Br)C(NC(CC4CC4)C(O)=O)=O;OC(=O)[CH](CC1CC1)NC(=O)C2(CCN(CC2)Cc3ccccc3C(F)(F)F)c4ccc(Br)cc4;c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)NC(CC4CC4)C(=O)O)C(F)(F)F","InChI=1S/C26H28BrF3N2O3/c27-20-9-7-19(8-10-20)25(24(35)31-22(23(33)34)15-17-5-6-17)11-13-32(14-12-25)16-18-3-1-2-4-21(18)26(28,29)30/h1-4,7-10,17,22H,5-6,11-16H2,(H,31,35)(H,33,34)/t22-/m0/s1","","2017-08-22","2018-08-17","N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine","2018-08-22"],["NRR","3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one","C27 H29 N5 O","CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c4nc3)C(=O)C=CN(C)C","InChI=1S/C27H29N5O/c1-30(2)11-10-26(33)20-6-9-25-23(16-20)24-17-21(18-28-27(24)29-25)19-4-7-22(8-5-19)32-14-12-31(3)13-15-32/h4-11,16-18H,12-15H2,1-3H3,(H,28,29)/b11-10-","","2022-08-18","2022-09-09","3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one","2022-09-14"],["NRS","N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide","C19 H15 N3 O4 S","O=S(c1ccc2c(c1)NC(C(N2)=O)=O)(N(C)c3ccc4c(c3)cccc4)=O;CN(c1ccc2ccccc2c1)[S](=O)(=O)c3ccc4NC(=O)C(=O)Nc4c3;CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4","InChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24)","","2019-05-28","2019-08-30","N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide","2019-09-04"],["BQB","5-(4-nitrophenylazo)-3-iodosalicylic acid","C13 H8 I N3 O5","OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O;c1cc(ccc1N=Nc2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-]","InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+","","2017-10-12","2018-10-26","3-iodanyl-5-[(~{E})-(4-nitrophenyl)diazenyl]-2-oxidanyl-benzoic acid","2018-10-31"],["NRT","6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-PURIN-2-AMINE","C10 H13 N5 O2","n2c(OCC1OCCC1)c3ncnc3nc2N;Nc1nc2[nH]cnc2c(OC[CH]3CCCO3)n1;c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCO3","InChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15)/t6-/m0/s1","","2002-06-27","2011-06-04","6-[(2S)-tetrahydrofuran-2-ylmethoxy]-9H-purin-2-amine",""],["BQC","5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione","C21 H18 N4 O4 S","S2(=O)(Nc1ccc(cc1C2)C(=O)N3CCC4=C(C3)C(=O)N=C(N4)c5ccccc5)=O;O=C1N=C(NC2=C1CN(CC2)C(=O)c3ccc4N[S](=O)(=O)Cc4c3)c5ccccc5;c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5","InChI=1S/C21H18N4O4S/c26-20-16-11-25(9-8-18(16)22-19(23-20)13-4-2-1-3-5-13)21(27)14-6-7-17-15(10-14)12-30(28,29)24-17/h1-7,10,24H,8-9,11-12H2,(H,22,23,26)","","2019-02-28","2019-05-30","5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione","2019-06-05"],["NRU","RUTHENIUM (III) HEXAAMINE ION","H18 N6 Ru","N.N.N.N.N.N.[Ru+3];[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3]","InChI=1S/6H3N.Ru/h6*1H3;/q;;;;;;+3","HEXAAMINORUTHENIUM","2006-07-28","2023-09-23","hexakis($l^{4}-azanyl)ruthenium(3+)",""],["BQD","(3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide","C18 H19 Br N2 O3","C3C(C(C(=O)Nc2cc1ccc(cc1cc2)Br)N(C(CC)=O)C3)O;CCC(=O)N1CC[CH](O)[CH]1C(=O)Nc2ccc3cc(Br)ccc3c2;CCC(=O)N1CCC(C1C(=O)Nc2ccc3cc(ccc3c2)Br)O","InChI=1S/C18H19BrN2O3/c1-2-16(23)21-8-7-15(22)17(21)18(24)20-14-6-4-11-9-13(19)5-3-12(11)10-14/h3-6,9-10,15,17,22H,2,7-8H2,1H3,(H,20,24)/t15-,17+/m1/s1","","2017-08-23","2024-09-27","(3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide","2018-01-31"],["BQE","(~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide","C23 H30 F2 N6 O2 S","CC(=O)C1=C(SC(N1)=NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)c4cncc(N)c4;CC(=O)C1=C(SC(=NC(=O)C2CNCCN2CCC3CCC(CC3)(F)F)N1)c4cc(cnc4)N","InChI=1S/C23H30F2N6O2S/c1-14(32)19-20(16-10-17(26)12-28-11-16)34-22(29-19)30-21(33)18-13-27-7-9-31(18)8-4-15-2-5-23(24,25)6-3-15/h10-12,15,18,27H,2-9,13,26H2,1H3,(H,29,30,33)/t18-/m1/s1","","2017-10-12","2018-10-26","(~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide","2018-10-31"],["NRV","N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine","C16 H20 F N5 S","Cn2c1ccc(cc1c3c2nc(SCCN(CC)CC)nn3)F;CCN(CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1;CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1","InChI=1S/C16H20FN5S/c1-4-22(5-2)8-9-23-16-18-15-14(19-20-16)12-10-11(17)6-7-13(12)21(15)3/h6-7,10H,4-5,8-9H2,1-3H3","","2019-05-28","2019-08-30","N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine","2019-09-04"],["NRW","N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide","C12 H13 N3 O2","Cc2cc(C(N(C)Cc1cccnc1)=O)on2;CN(Cc1cccnc1)C(=O)c2onc(C)c2;Cc1cc(on1)C(=O)N(C)Cc2cccnc2","InChI=1S/C12H13N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h3-7H,8H2,1-2H3","","2016-03-23","2016-04-01","N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide","2016-04-06"],["BQF","4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid","C20 H15 N O5","C(O)(c1ccc(cc1)C(=O)N4CC3=C(c2c(cccc2)OC3=O)CC4)=O;OC(=O)c1ccc(cc1)C(=O)N2CCC3=C(C2)C(=O)Oc4ccccc34;c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2","InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)","","2019-02-28","2019-05-30","4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid","2019-06-05"],["NRX","2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide","C15 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1ncn2ccccc12;Clc1cccc(CC(=O)Nc2ncn3ccccc23)c1;c1ccn2cnc(c2c1)NC(=O)Cc3cccc(c3)Cl","InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-14(20)18-15-13-6-1-2-7-19(13)10-17-15/h1-8,10H,9H2,(H,18,20)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide","2023-11-08"],["BQG","(2~{R})-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-formamido-3-phenyl-propanamide","C63 H80 N11 O10 P S","NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](COCc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc7ccccc7)Oc8ccccc8;c1ccc(cc1)CC(C(=O)NC(COCc2ccccc2)C(=O)NC(CC3CNc4c3cccc4)C(=O)NC(CCCNC(=N)N)P(=O)(Oc5ccccc5)Oc6ccccc6)NC(=O)CCCCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8","InChI=1S/C63H80N11O10PS/c64-62(65)67-36-20-34-57(85(81,83-46-25-10-3-11-26-46)84-47-27-12-4-13-28-47)73-60(78)51(38-45-39-68-49-30-16-15-29-48(45)49)70-61(79)52(41-82-40-44-23-8-2-9-24-44)71-59(77)50(37-43-21-6-1-7-22-43)69-56(76)33-14-5-19-35-66-55(75)32-18-17-31-54-58-53(42-86-54)72-63(80)74-58/h1-4,6-13,15-16,21-30,45,50-54,57-58,68H,5,14,17-20,31-42H2,(H,66,75)(H,69,76)(H,70,79)(H,71,77)(H,73,78)(H4,64,65,67)(H2,72,74,80)/t45-,50-,51+,52+,53?,54?,57-,58?/m1/s1","","2021-12-08","2024-01-25","~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-(2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide","2022-10-26"],["BQH","(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide","C10 H14 N4 O2 S","CC(=O)c1csc(NC(=O)[CH]2CNCCN2)n1;CC(=O)c1csc(n1)NC(=O)C2CNCCN2","InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1","","2017-10-12","2018-10-26","(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide","2018-10-31"],["NRY","1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium","C21 H15 F2 N2 O","c2[n+](c(c1ccc(F)cc1)c3cccn3c2)CC(=O)c4ccc(cc4)F;Fc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(F)cc4;c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F","InChI=1S/C21H15F2N2O/c22-17-7-3-15(4-8-17)20(26)14-25-13-12-24-11-1-2-19(24)21(25)16-5-9-18(23)10-6-16/h1-13H,14H2/q+1","","2019-05-28","2019-08-30","1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium","2019-09-04"],["BQI","5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine","C12 H12 N6 S","Cc1sc(Nc2nccc(C)n2)nc1c3c[nH]nc3;Cc1ccnc(n1)Nc2nc(c(s2)C)c3c[nH]nc3","InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)","ADX88178","2023-05-18","2023-06-16","5-methyl-~{N}-(4-methylpyrimidin-2-yl)-4-(1~{H}-pyrazol-4-yl)-1,3-thiazol-2-amine","2023-06-21"],["NRZ","(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide","C20 H24 N2 O4 S","COc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3;Cc1cc(cc(c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)OC)C","InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1","","2019-12-12","2019-12-27","(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide","2020-01-01"],["BQJ","2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one","C34 H49 F3 N6 O2 S","N1(CCCCC1)CCSc5c(ccc(c2nn(CCC)c4c2CN(C(CC3CCN(C(CN(C)C)=O)CC3)=O)CC4)c5)C(F)(F)F;CCCn1nc(c2ccc(c(SCCN3CCCCC3)c2)C(F)(F)F)c4CN(CCc14)C(=O)CC5CCN(CC5)C(=O)CN(C)C;CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C","InChI=1S/C34H49F3N6O2S/c1-4-13-43-29-12-18-42(31(44)21-25-10-16-41(17-11-25)32(45)24-39(2)3)23-27(29)33(38-43)26-8-9-28(34(35,36)37)30(22-26)46-20-19-40-14-6-5-7-15-40/h8-9,22,25H,4-7,10-21,23-24H2,1-3H3","","2017-08-23","2017-12-15","2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one","2017-12-20"],["NS0","all-trans-1,2-dihydroneurosporene","C40 H60","CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C;CC(C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C","InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19,21-22,25-31,34H,13-14,18,20,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+","","2017-11-13","2018-04-06","(6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26-undecaene","2018-04-11"],["NS1","15-trans-1,2-dihydroneurosporene","C40 H60","CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C;CC(C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C","InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19,21-22,25-31,34H,13-14,18,20,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22-,37-27+,38-28+,39-29+,40-30+","","1999-07-08","2011-06-04","(6E,8E,10E,12E,14E,16E,18Z,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26-undecaene",""],["BQK","(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide","C16 H18 N4 O4 S","CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cc(O)cc(O)c3;CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3cc(cc(c3)O)O","InChI=1S/C16H18N4O4S/c1-8(21)13-14(9-4-10(22)6-11(23)5-9)25-16(19-13)20-15(24)12-7-17-2-3-18-12/h4-6,12,17-18,22-23H,2-3,7H2,1H3,(H,19,20,24)/t12-/m1/s1","","2017-10-12","2018-10-26","(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide","2018-10-31"],["NS2","[(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone","C23 H23 Cl N6 O2","COc1ccc(n2nccn2)c(c1)C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4;Cc1c(ccc2c1[nH]c(n2)C3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl","InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1","","2019-12-12","2019-12-27","[(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone","2020-01-01"],["BQL","[(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C12 H18 N3 O10 P","N[CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)C=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OCC(C=O)N)O)O","InChI=1S/C12H18N3O10P/c13-6(3-16)4-23-26(21,22)24-5-7-9(18)10(19)11(25-7)15-2-1-8(17)14-12(15)20/h1-3,6-7,9-11,18-19H,4-5,13H2,(H,21,22)(H,14,17,20)/t6-,7-,9-,10-,11-/m1/s1","","2019-03-04","2024-09-27","[(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2019-03-20"],["NS3","(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","C18 H28 N4 O4 S2","O=S(=O)(c1c(cc2c(c1)S(=O)(=O)NC(N2)C3CCCC3)C)N4CCN(C)CC4;CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[CH](N[S]3(=O)=O)C4CCCC4)cc2C;Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)NC(N2)C4CCCC4","InChI=1S/C18H28N4O4S2/c1-13-11-15-17(27(23,24)20-18(19-15)14-5-3-4-6-14)12-16(13)28(25,26)22-9-7-21(2)8-10-22/h11-12,14,18-20H,3-10H2,1-2H3/t18-/m0/s1","","2009-04-27","2011-06-04","(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",""],["BQM","3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline","C21 H18 F6 N2 O2 S","O=C(C=Cc2ccc(Sc1cc(N)ccc1)c(c2C(F)(F)F)C(F)(F)F)N3CCOCC3;Nc1cccc(Sc2ccc(C=CC(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1;c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)C=CC(=O)N3CCOCC3)N","InChI=1S/C21H18F6N2O2S/c22-20(23,24)18-13(5-7-17(30)29-8-10-31-11-9-29)4-6-16(19(18)21(25,26)27)32-15-3-1-2-14(28)12-15/h1-7,12H,8-11,28H2/b7-5+","","2008-01-03","2011-06-04","3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline",""],["NS4","N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide","C13 H18 N2 O5 S","[O-][N+](=O)c2cc(OC1CCCCC1)c(NS(=O)(=O)C)cc2;C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O;CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]","InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3","","2011-02-08","2011-07-29","N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide",""],["BQN","4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine","C27 H22 F6 N2 O3 S","O=C(C=Cc3ccc(Sc2ccccc2OCc1cccnc1)c(c3C(F)(F)F)C(F)(F)F)N4CCOCC4;FC(F)(F)c1c(Sc2ccccc2OCc3cccnc3)ccc(C=CC(=O)N4CCOCC4)c1C(F)(F)F;c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4","InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(8-10-23(36)35-12-14-37-15-13-35)7-9-22(25(24)27(31,32)33)39-21-6-2-1-5-20(21)38-17-18-4-3-11-34-16-18/h1-11,16H,12-15,17H2/b10-8+","","2008-01-03","2011-06-04","4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine",""],["NS5","15-cis-1,2-dihydroneurosporene","C40 H60","CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C;CC(C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C","InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19,21-22,25-31,34H,13-14,18,20,23-24,32H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+","","1999-07-08","2011-06-04","(6E,8E,10E,12E,14E,16Z,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26-undecaene",""],["BQO","[(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C13 H20 N3 O10 P","C[CH](O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)[CH](N)C=O;CC(C(C=O)N)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O","InChI=1S/C13H20N3O10P/c1-6(7(14)4-17)26-27(22,23)24-5-8-10(19)11(20)12(25-8)16-3-2-9(18)15-13(16)21/h2-4,6-8,10-12,19-20H,5,14H2,1H3,(H,22,23)(H,15,18,21)/t6-,7-,8-,10-,11-,12-/m1/s1","","2019-03-04","2024-09-27","[(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2019-03-20"],["BQP","2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","C37 H53 F4 N5 O2 S","N1(CCC(F)CC1)CCSc2c(C(F)(F)F)ccc(c2)c6c3c(CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)n(CCCO)n6;OCCCn1nc(c2ccc(c(SCCN3CCC(F)CC3)c2)C(F)(F)F)c4CN(CCc14)C(=O)CC5CCN(CC5)CC6CCCCC6;c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F","InChI=1S/C37H53F4N5O2S/c38-30-11-17-43(18-12-30)20-22-49-34-24-29(7-8-32(34)37(39,40)41)36-31-26-45(19-13-33(31)46(42-36)14-4-21-47)35(48)23-27-9-15-44(16-10-27)25-28-5-2-1-3-6-28/h7-8,24,27-28,30,47H,1-6,9-23,25-26H2","","2017-08-23","2017-12-15","2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","2017-12-20"],["NS6","(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide","C18 H27 N3 O4 S2","O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC(C2)C3CCCC3)N4CCN(C)CC4;CN1CCN(CC1)[S](=O)(=O)c2ccc3C[CH](N[S](=O)(=O)c3c2)C4CCCC4;CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)NC(C3)C4CCCC4","InChI=1S/C18H27N3O4S2/c1-20-8-10-21(11-9-20)27(24,25)16-7-6-15-12-17(14-4-2-3-5-14)19-26(22,23)18(15)13-16/h6-7,13-14,17,19H,2-5,8-12H2,1H3/t17-/m1/s1","","2009-04-27","2011-06-04","(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",""],["NS7","(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide","C19 H29 N3 O4 S2","O=S(=O)(c1c(cc2c(c1)S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4;CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[CH](N[S]3(=O)=O)C4CCCC4)cc2C;Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)NC(C2)C4CCCC4","InChI=1S/C19H29N3O4S2/c1-14-11-16-12-17(15-5-3-4-6-15)20-27(23,24)19(16)13-18(14)28(25,26)22-9-7-21(2)8-10-22/h11,13,15,17,20H,3-10,12H2,1-2H3/t17-/m1/s1","","2009-04-27","2011-06-04","(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",""],["BQQ","(2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide","C15 H18 N6 O2 S","CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3;CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3cc(cnc3)N","InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m0/s1","","2017-10-12","2018-10-26","(2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide","2018-10-31"],["NS8","trans beta nitrostyrene","C8 H7 N O2","[O-][N+]([C@H]=Cc1ccccc1)=O;[O-][N+](=O)C=Cc1ccccc1;c1ccc(cc1)C=C[N+](=O)[O-]","InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+","","2015-07-16","2016-03-04","[(E)-2-nitroethenyl]benzene","2016-03-09"],["BQR","N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide","C19 H20 N4 O3","N(c3nc2cc(c1cc(c(OC)cc1)OC)ccc2nc3)CC(=O)NC;CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(OC)c(OC)c3;CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC","InChI=1S/C19H20N4O3/c1-20-19(24)11-22-18-10-21-14-6-4-12(8-15(14)23-18)13-5-7-16(25-2)17(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,24)(H,22,23)","","2015-06-19","2016-01-15","N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide","2016-01-20"],["NS9","(2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol","C20 H27 N5 O3","n2c(cc(NCc1ccccc1)n3ncc(c23)C(C)C)NC(C(O)CO)CO;CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH](CO)[CH](O)CO)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC(CO)C(CO)O","InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1","","2010-07-12","2011-06-04","(2S,3S)-3-{[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol",""],["BQS","2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","C37 H54 F3 N5 O S","C1CCCCN1CCSc2cc(ccc2C(F)(F)F)c3c4c(n(CCC)n3)CCN(C4)C(=O)CC5CCN(CC5)CC6CCCCC6;CCCn1nc(c2ccc(c(SCCN3CCCCC3)c2)C(F)(F)F)c4CN(CCc14)C(=O)CC5CCN(CC5)CC6CCCCC6;CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6","InChI=1S/C37H54F3N5OS/c1-2-16-45-33-15-21-44(35(46)24-28-13-19-43(20-14-28)26-29-9-5-3-6-10-29)27-31(33)36(41-45)30-11-12-32(37(38,39)40)34(25-30)47-23-22-42-17-7-4-8-18-42/h11-12,25,28-29H,2-10,13-24,26-27H2,1H3","","2017-08-23","2017-12-15","2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one","2017-12-20"],["NSA","2,2-DICHLORO-N-PHENYL-ACETAMIDE","C8 H7 Cl2 N O","O=C(Nc1ccccc1)C(Cl)Cl;ClC(Cl)C(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)C(Cl)Cl","InChI=1S/C8H7Cl2NO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)","","1999-12-13","2011-06-04","2,2-dichloro-N-phenylacetamide",""],["BQT","(2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide","C10 H13 N3 O2 S","C[CH](N)C(=O)Nc1sc2CCCC(=O)c2n1;CC(C(=O)Nc1nc2c(s1)CCCC2=O)N","InChI=1S/C10H13N3O2S/c1-5(11)9(15)13-10-12-8-6(14)3-2-4-7(8)16-10/h5H,2-4,11H2,1H3,(H,12,13,15)/t5-/m1/s1","","2017-10-12","2018-10-26","(2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide","2018-10-31"],["NSB","N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM","C6 H16 N O3 S","O=S(=O)(O)CCC[N+](C)(C)C;C[N+](C)(C)CCC[S](O)(=O)=O;C[N+](C)(C)CCCS(=O)(=O)O","InChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3/p+1","","2005-08-04","2011-06-04","N,N,N-trimethyl-3-sulfopropan-1-aminium",""],["BQU","3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid","C19 H18 N2 O3 S","Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)n2;c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N","InChI=1S/C19H18N2O3S/c20-16-8-6-14(10-13(16)7-9-19(22)23)17-12-25-18(21-17)11-24-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11,20H2,(H,22,23)","","2019-03-05","2020-03-20","3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid","2020-03-25"],["NSC","N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA","C21 H20 N6 O","c2c1c(N)cc(C)nc1ccc2NC(=O)Nc4cc3c(N)cc(C)nc3cc4;Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1;Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N","InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)","","2003-07-10","2016-01-22","1,3-bis(4-amino-2-methylquinolin-6-yl)urea",""],["BQV","N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide","C13 H13 N O3 S3","c1c(scc1)SCc2cccc(C(NS(C)(=O)=O)=O)c2;C[S](=O)(=O)NC(=O)c1cccc(CSc2sccc2)c1;CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2","InChI=1S/C13H13NO3S3/c1-20(16,17)14-13(15)11-5-2-4-10(8-11)9-19-12-6-3-7-18-12/h2-8H,9H2,1H3,(H,14,15)","","2017-08-23","2018-08-17","N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide","2018-08-22"],["NSD","N-(3-aminopropyl)propane-1,3-diamine","C6 H17 N3","NCCCNCCCN;NCCCNCCCN;C(CN)CNCCCN","InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2","","2010-05-28","2011-06-04","N-(3-aminopropyl)propane-1,3-diamine",""],["BQW","(2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide","C9 H17 N5 O2 S","C[CH](NC(N)=N)C(=O)N[CH]1N[CH](CS1)C(C)=O;CC(C(=O)NC1NC(CS1)C(=O)C)NC(=N)N","InChI=1S/C9H17N5O2S/c1-4(12-8(10)11)7(16)14-9-13-6(3-17-9)5(2)15/h4,6,9,13H,3H2,1-2H3,(H,14,16)(H4,10,11,12)/t4-,6?,9?/m1/s1","","2017-10-12","2018-10-26","(2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide","2018-10-31"],["NSE","3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile","C14 H8 N4 O","N#Cc3cccc(c1nc(no1)c2cnccc2)c3;N#Cc1cccc(c1)c2onc(n2)c3cccnc3;c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N","InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H","NS9283","2013-12-26","2020-06-17","3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile","2014-07-08"],["BQX","1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea","C19 H30 N10 O4 S2","Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)NCCCC[CH]3SC[CH]4NC(=O)N[CH]34)cnc12;c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCCC3C4C(CS3)NC(=O)N4)N","InChI=1S/C19H30N10O4S2/c20-16-15-17(23-10-22-16)29(11-24-15)8-4-3-7-25-35(32,33)28-18(30)21-6-2-1-5-13-14-12(9-34-13)26-19(31)27-14/h10-14,25H,1-9H2,(H2,20,22,23)(H2,21,28,30)(H2,26,27,31)/t12-,13-,14-/m0/s1","","2018-12-17","2019-12-13","1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea","2019-12-18"],["NSF","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","C12 H15 I N4 O6","OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O;N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=C(I)C(=O)NC2=O;C1C(C(CO1)N(CC(=O)O)C(=O)CN2C=C(C(=O)NC2=O)I)N","InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1","","2022-04-07","2024-09-27","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","2023-04-05"],["BQY","2-methoxyphenyl beta-D-galactopyranoside","C13 H18 O7","c2cc(c(OC1C(O)C(O)C(C(CO)O1)O)cc2)OC;COc1ccccc1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;COc1ccccc1OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1","o-methoxyphenyl beta-galactoside; OMPG; 2-methoxyphenyl beta-D-galactoside; 2-methoxyphenyl D-galactoside;\n2-methoxyphenyl galactoside","2017-08-23","2020-07-17","2-methoxyphenyl beta-D-galactopyranoside","2018-02-28"],["NSG","(2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol","C8 H15 N O4 S","C[CH]1N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1;CC1NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C8H15NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-12H,2H2,1H3/t3-,4+,5+,6-,7+,8+/m0/s1","","2015-06-30","2015-09-18","(2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol","2015-09-23"],["BQZ","galactinol","C12 H22 O11","OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7+,8+,9+,10-,11-,12-/m1/s1","","2017-10-12","2018-04-13","(1~{S},2~{R},4~{S},5~{S})-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol","2018-04-18"],["NSI","3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE","C30 H23 F3 N2 O4 S","O=S(=O)(c1ccccc1)NC(=O)c3c(c2ccccc2n3Cc4cccc(c4)C(F)(F)F)c5ccc(OC)cc5;COc1ccc(cc1)c2c3ccccc3n(Cc4cccc(c4)C(F)(F)F)c2C(=O)N[S](=O)(=O)c5ccccc5;COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F","InChI=1S/C30H23F3N2O4S/c1-39-23-16-14-21(15-17-23)27-25-12-5-6-13-26(25)35(19-20-8-7-9-22(18-20)30(31,32)33)28(27)29(36)34-40(37,38)24-10-3-2-4-11-24/h2-18H,19H2,1H3,(H,34,36)","","2006-06-28","2011-06-04","3-(4-methoxyphenyl)-N-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1H-indole-2-carboxamide",""],["BR","BROMIDE ION","Br","[Br-];[Br-];[Br-]","InChI=1S/BrH/h1H/p-1","","1999-07-08","2024-09-27","bromide",""],["NSJ","3-[(thiomorpholin-4-yl)methyl]phenol","C11 H15 N O S","N1(CCSCC1)Cc2cccc(c2)O;Oc1cccc(CN2CCSCC2)c1;c1cc(cc(c1)O)CN2CCSCC2","InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2","","2019-05-28","2019-08-02","3-[(thiomorpholin-4-yl)methyl]phenol","2019-08-07"],["BR0","(3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid","C14 H12 N2 O6","O=C(O)c1c3c(c([N+]([O-])=O)cc1)C2C=CCC2C(C(=O)O)N3;OC(=O)[CH]1Nc2c(ccc(c2[CH]3C=CC[CH]13)[N+]([O-])=O)C(O)=O;c1cc(c2c(c1C(=O)O)NC(C3C2C=CC3)C(=O)O)[N+](=O)[O-]","InChI=1S/C14H12N2O6/c17-13(18)8-4-5-9(16(21)22)10-6-2-1-3-7(6)12(14(19)20)15-11(8)10/h1-2,4-7,12,15H,3H2,(H,17,18)(H,19,20)/t6-,7+,12-/m1/s1","","2010-08-17","2011-06-10","(3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid",""],["NSK","N-SUCCINYL LYSINE","C10 H18 N2 O5","O=C(NC(C(=O)O)CCCCN)CCC(=O)O;NCCCC[CH](NC(=O)CCC(O)=O)C(O)=O;C(CCN)CC(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1","N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE","2007-04-05","2021-03-01","N~2~-(3-carboxypropanoyl)-L-lysine",""],["BR1","(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol","C22 H25 Br N2 O2","BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3;O[CH](CCCCCCc1ccccc1)c2oc(cn2)c3ccc(CBr)cn3;c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccc(cn3)CBr)O","InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1","1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form","2013-02-14","2024-09-27","(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol","2013-05-01"],["NSL","4-Hydroxyazobenzene","C12 H10 N2 O","c1ccc(cc1)N=Nc2ccc(O)cc2;Oc1ccc(cc1)N=Nc2ccccc2;c1ccc(cc1)N=Nc2ccc(cc2)O","InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+","4-[(E)-phenyldiazenyl]phenol","2019-04-15","2021-03-01","4-[(E)-phenyldiazenyl]phenol","2019-07-24"],["BR2","2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide","C20 H15 F2 N5 O4 S","O=S(=O)(c1ccccc1)Nc2ccc(F)c(c2F)C(=O)NC3C=C4C(OC)=NN=C4N=C3;COC1=NN=C2N=C[CH](NC(=O)c3c(F)ccc(N[S](=O)(=O)c4ccccc4)c3F)C=C12;COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F","InChI=1S/C20H15F2N5O4S/c1-31-20-13-9-11(10-23-18(13)25-26-20)24-19(28)16-14(21)7-8-15(17(16)22)27-32(29,30)12-5-3-2-4-6-12/h2-11,27H,1H3,(H,24,28)/t11-/m0/s1","","2011-06-29","2011-08-12","2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide",""],["NSM","NITROSOMETHANE","C H3 N O","O=NC;CN=O;CN=O","InChI=1S/CH3NO/c1-2-3/h1H3","","2006-11-10","2011-06-04","nitrosomethane",""],["BR3","(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE","C11 H14 O3 P","[O-]P(=O)CC2Oc1ccc(cc1CC2)C;Cc1ccc2O[CH](CCc2c1)C[PH]([O-])=O;Cc1ccc2c(c1)CCC(O2)CP(=O)[O-]","InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1","","2003-05-23","2011-06-04","{[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl}phosphinate",""],["BR4","6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID","C25 H33 N O3","O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)CCc2ccccc2;OC(=O)CC[CH](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2;c1ccc(cc1)CCCCCCC(=O)NC(CCc2ccccc2)CCC(=O)O","InChI=1S/C25H33NO3/c27-24(16-10-2-1-5-11-21-12-6-3-7-13-21)26-23(19-20-25(28)29)18-17-22-14-8-4-9-15-22/h3-4,6-9,12-15,23H,1-2,5,10-11,16-20H2,(H,26,27)(H,28,29)/t23-/m1/s1","","2002-01-17","2011-06-04","(4R)-6-phenyl-4-[(7-phenylheptanoyl)amino]hexanoic acid",""],["NSN","N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE","C7 H11 N3 O4","[O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N;CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O;CC(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N","InChI=1S/C7H11N3O4/c1-3(6(8)13)10-4(7(9)14)2-5(11)12/h4H,2H2,1H3,(H2,8,13)(H2,9,14)(H,11,12)/b10-3+/t4-/m0/s1","","2003-07-07","2024-09-27","(3S)-4-amino-3-{[(1E)-2-amino-1-methyl-2-oxoethylidene]ammonio}-4-oxobutanoate",""],["NSO","~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide","C28 H28 F N7 O","CN1CCN(CC1)c2ccc(Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cc4c(n3)Nc5cccc(c5)NC(=O)C=C)F","InChI=1S/C28H28FN7O/c1-3-26(37)30-21-5-4-6-22(18-21)31-27-24-17-19(29)7-12-25(24)33-28(34-27)32-20-8-10-23(11-9-20)36-15-13-35(2)14-16-36/h3-12,17-18H,1,13-16H2,2H3,(H,30,37)(H2,31,32,33,34)","","2023-01-18","2024-09-27","~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide","2023-08-23"],["BR5","2-ETHOXYETHYLPHOSPHINATE","C4 H10 O3 P","[O-]P(=O)CCOCC;CCOCC[PH]([O-])=O;CCOCCP(=O)[O-]","InChI=1S/C4H11O3P/c1-2-7-3-4-8(5)6/h8H,2-4H2,1H3,(H,5,6)/p-1","","2003-05-27","2011-06-04","(2-ethoxyethyl)phosphinate",""],["NSP","5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE","C6 H10 N4","n1c(N)c(cnc1C)CN;Cc1ncc(CN)c(N)n1;Cc1ncc(c(n1)N)CN","InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)","","2000-09-15","2011-06-04","5-(aminomethyl)-2-methylpyrimidin-4-amine",""],["BR6","(E)-4-((4-bromophenylimino)methyl)benzimidamide","C14 H12 Br N3","Brc2ccc(/N=C/c1ccc(C(=[N@H])N)cc1)cc2;NC(=N)c1ccc(cc1)C=Nc2ccc(Br)cc2;c1cc(ccc1C=Nc2ccc(cc2)Br)C(=N)N","InChI=1S/C14H12BrN3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-9H,(H3,16,17)/b18-9+","","2009-10-13","2011-06-04","4-{(E)-[(4-bromophenyl)imino]methyl}benzenecarboximidamide",""],["NSQ","4-nitrophenyl alpha-D-6-sulfoquinovoside","C12 H15 N O10 S","O[CH]1[CH](O)[CH](C[S](O)(=O)=O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CS(=O)(=O)O)O)O)O","InChI=1S/C12H15NO10S/c14-9-8(5-24(19,20)21)23-12(11(16)10(9)15)22-7-3-1-6(2-4-7)13(17)18/h1-4,8-12,14-16H,5H2,(H,19,20,21)/t8-,9-,10+,11-,12+/m1/s1","4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE","2015-08-28","2020-07-17","[(2S,3S,4S,5R,6R)-6-(4-nitrophenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","2016-02-10"],["BR7","Bromomemantine","C12 H20 Br N","BrC13CC2(CC(N)(CC(C1)(C)C2)C3)C;C[C]12C[C]3(C)CC(N)(C1)CC(Br)(C2)C3;CC12CC3(CC(C1)(CC(C2)(C3)Br)N)C","InChI=1S/C12H20BrN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3/t9-,10+,11+,12-","","2014-07-01","2014-09-19","(1r,3s,5R,7S)-3-bromo-5,7-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine","2014-09-24"],["BR8","BARBITURIC ACID","C4 H4 N2 O3","O=C1NC(=O)NC(=O)C1;O=C1CC(=O)NC(=O)N1;C1C(=O)NC(=O)NC1=O","InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)","","2012-12-19","2014-09-05","pyrimidine-2,4,6(1H,3H,5H)-trione","2013-05-22"],["NSR","(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","C19 H15 Cl N2 O2","Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21;Clc1ccc2OCC[CH](C(=O)Nc3cncc4ccccc34)c2c1;c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl","InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1","","2023-08-16","2023-11-03","(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide","2023-11-08"],["NSS","5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE","C14 H21 N8 O8 S","O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+];NC(=O)C[CH]([NH3+])C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CC(=O)N)[NH3+])O)O)N","InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/p+1/t5-,6+,9+,10+,14+/m0/s1","ASN-SA","2005-05-25","2020-06-17","5'-O-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]sulfamoyl}adenosine",""],["BR9","5-bromopyridine-2,3-diamine","C5 H6 Br N3","Nc1cc(Br)cnc1N;c1c(cnc(c1N)N)Br","InChI=1S/C5H6BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)","","2016-12-14","2017-05-19","5-bromanylpyridine-2,3-diamine","2017-05-24"],["NST","3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID","C11 H8 N2 O6 S2","O=C(O)c1sccc1S(=O)(=O)Nc2cccc([N+]([O-])=O)c2;OC(=O)c1sccc1[S](=O)(=O)Nc2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O","InChI=1S/C11H8N2O6S2/c14-11(15)10-9(4-5-20-10)21(18,19)12-7-2-1-3-8(6-7)13(16)17/h1-6,12H,(H,14,15)","","2004-09-27","2011-06-04","3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid",""],["BRA","9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine","C35 H43 N7 O2","O=C(Nc5cc4nc2cc(NC(=O)CCN1CCCC1)ccc2c(Nc3ccc(N(C)C)cc3)c4cc5)CCN6CCCC6;CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc5cc(NC(=O)CCN6CCCC6)ccc25)cc1;CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6","InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)","N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)","2008-03-18","2021-03-13","N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)",""],["NSU","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","C13 H18 N4 O6","OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O;CC1=CN(CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)C2COCC2N","InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1","","2022-04-07","2024-09-27","N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","2023-04-05"],["BRB","PARA-BROMOBENZYL ALCOHOL","C7 H7 Br O","Brc1ccc(cc1)CO;OCc1ccc(Br)cc1;c1cc(ccc1CO)Br","InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2","","1999-07-08","2011-06-04","(4-bromophenyl)methanol",""],["BRC","12-BROMODODECANOIC ACID","C12 H23 Br O2","BrCCCCCCCCCCCC(=O)O;OC(=O)CCCCCCCCCCCBr;C(CCCCCC(=O)O)CCCCCBr","InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)","","1999-07-08","2011-06-04","12-bromododecanoic acid",""],["NSV","1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine","C9 H15 N3 S","n2cc(CN1CCNCC1)sc2C;Cc1sc(CN2CCNCC2)cn1;Cc1ncc(s1)CN2CCNCC2","InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3","","2019-05-28","2019-08-02","1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine","2019-08-07"],["BRD","1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE","C10 H16 N2 O5","O=C1NCC=CCN1C1OC(CO)C(O)C1O;OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=CCNC2=O;C1C=CCN(C(=O)N1)C2C(C(C(O2)CO)O)O","InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1","","2002-09-17","2025-09-23","1-beta-D-ribofuranosyl-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one",""],["NSW","3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one","C25 H21 N4 O3","Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c5ccc(O)cc5)cc1;c1ccc(cc1)Cc2c3[n+](cc(n2)c4ccc(cc4)O)C(=O)N(N3)Cc5ccc(cc5)O","InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2/p+1","","2019-12-12","2022-12-02","6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-1~{H}-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-one","2022-12-07"],["BRE","2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID","C23 H16 F N O2","Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4;Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4;Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O","InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)","BREQUINAR ANALOG","1999-10-01","2020-06-17","2-biphenyl-4-yl-6-fluoro-3-methylquinoline-4-carboxylic acid",""],["NSX","N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide","C57 H64 N8 O6","O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccc(O)cc4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6;NC(=N)NCCC[CH](NC(=O)[CH](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccc(O)cc5)C(=O)NCCc6ccccc6;c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6","InChI=1S/C57H64N8O6/c58-57(59)62-35-12-20-50(56(71)65-51(37-41-25-31-48(66)32-26-41)54(69)61-36-33-40-13-4-1-5-14-40)64-55(70)49(63-53(68)39-43-23-29-47(30-24-43)45-17-8-3-9-18-45)19-10-11-34-60-52(67)38-42-21-27-46(28-22-42)44-15-6-2-7-16-44/h1-9,13-18,21-32,49-51,66H,10-12,19-20,33-39H2,(H,60,67)(H,61,69)(H,63,68)(H,64,70)(H,65,71)(H4,58,59,62)/t49-,50+,51-/m0/s1","","2009-07-22","2011-06-04","N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide",""],["NSY","N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide","C57 H64 N8 O5","O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccccc4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6;NC(=N)NCCC[CH](NC(=O)[CH](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccccc5)C(=O)NCCc6ccccc6;c1ccc(cc1)CCNC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6","InChI=1S/C57H64N8O5/c58-57(59)62-36-15-25-50(56(70)65-51(38-42-18-7-2-8-19-42)54(68)61-37-34-41-16-5-1-6-17-41)64-55(69)49(63-53(67)40-44-28-32-48(33-29-44)46-22-11-4-12-23-46)24-13-14-35-60-52(66)39-43-26-30-47(31-27-43)45-20-9-3-10-21-45/h1-12,16-23,26-33,49-51H,13-15,24-25,34-40H2,(H,60,66)(H,61,68)(H,63,67)(H,64,69)(H,65,70)(H4,58,59,62)/t49-,50+,51-/m0/s1","","2009-07-30","2011-06-04","N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide",""],["BRF","6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID","C23 H15 F2 N O2","Fc1ccccc1c4ccc(c2nc3ccc(F)cc3c(c2C)C(=O)O)cc4;Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F;Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O","InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)","","2004-01-08","2011-06-04","6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid",""],["NSZ","N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide","C41 H49 N7 O4 S","O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N)CSC)Cc4ccc(c3ccccc3)cc4;CSC[CH](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](Cc3ccccc3)C(=O)NCCc4ccccc4;CSCC(C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4","InChI=1S/C41H49N7O4S/c1-53-28-36(46-37(49)27-31-19-21-33(22-20-31)32-16-9-4-10-17-32)40(52)47-34(18-11-24-45-41(42)43)39(51)48-35(26-30-14-7-3-8-15-30)38(50)44-25-23-29-12-5-2-6-13-29/h2-10,12-17,19-22,34-36H,11,18,23-28H2,1H3,(H,44,50)(H,46,49)(H,47,52)(H,48,51)(H4,42,43,45)/t34-,35+,36+/m1/s1","","2009-07-22","2011-06-04","N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide",""],["BRG","8-BROMOGUANINE","C5 H4 Br N5 O","O=C2NC(=Nc1nc(Br)nc12)N;NC1=Nc2nc(Br)[nH]c2C(=O)N1;c12c(nc([nH]1)Br)N=C(NC2=O)N","InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)","","2002-06-14","2011-06-04","2-amino-8-bromo-1,7-dihydro-6H-purin-6-one",""],["NT","NETROPSIN","C18 H26 N10 O3","O=C(Nc1cc(C(=O)NCCC(=[N@H])N)n(c1)C)c2cc(NC(=O)CNC(=[N@H])N)cn2C;Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=N)cn2C)cc1C(=O)NCCC(N)=N;Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N","InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)","","1999-07-08","2011-06-04","N-(5-{[(3Z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[(N-carbamimidoylglycyl)amino]-1-methyl-1H-pyrrole-2-carboxamide",""],["BRH","(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID","C6 H7 Br N2 O4","Brc1c(onc1O)CC(C(=O)O)N;NC(Cc1onc(O)c1Br)C(O)=O;C(c1c(c(no1)O)Br)C(C(=O)O)N","InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)","BR-HIBO","2002-07-11","2021-03-01","3-(4-bromo-3-hydroxyisoxazol-5-yl)alanine",""],["NT0","N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide","C23 H19 N3 O2","O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4;c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4","InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27)","2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide","2022-08-21","2023-09-23","2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide","2023-08-23"],["BRI","(O4)-METHYL-2-DEOXYFUCOSE","C7 H14 O4","O(C1C(OC(O)CC1O)C)C;CO[CH]1[CH](C)O[CH](O)C[CH]1O;CC1C(C(CC(O1)O)O)OC","InChI=1/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1","","1999-07-08","2008-10-14","2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose",""],["NT1","HEPARIN HEPTASACCHARIDE","C55 H98 O54 S6","O=S(=O)(OCC7OCC(OS(=O)(=O)O)C(OC)C7OC6OC(C(O)O)C(OC5OC(C(OC4OC(C(OC3OC(COS(=O)(=O)O)C(OC2OC(COC)C(OC1OC(CC(OC)C1OC)COC)C(OC)C2OC)C(OC)C3OC)C(OC)C4OC)C(O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)COS(=O)(=O)O)C(OC)C6OC)O;COC[CH]1C[CH](OC)[CH](OC)[CH](O1)O[CH]2[CH](COC)O[CH](O[CH]3[CH](CO[S](O)(=O)=O)O[CH](O[CH]4[CH](OC)[CH](OC)[CH](O[CH]4C(O)O)O[CH]5[CH](CO[S](O)(=O)=O)O[CH](O[CH]6[CH](OC)[CH](OC)[CH](O[CH]6C(O)O)O[CH]7[CH](CO[S](O)(=O)=O)OC[CH](O[S](O)(=O)=O)[CH]7OC)[CH](O[S](O)(=O)=O)[CH]5O[S](O)(=O)=O)[CH](OC)[CH]3OC)[CH](OC)[CH]2OC;COCC1CC(C(C(O1)OC2C(OC(C(C2OC)OC)OC3C(OC(C(C3OC)OC)OC4C(C(C(OC4C(O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(C(C(OC6C(O)O)OC7C(OCC(C7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC","InChI=1S/C55H98O54S6/c1-78-15-21-14-22(80-3)33(82-5)50(95-21)100-30-24(16-79-2)96-51(43(87-10)34(30)83-6)101-31-25(19-93-111(63,64)65)97-52(44(88-11)35(31)84-7)103-38-36(85-8)46(90-13)54(106-41(38)48(56)57)102-32-26(20-94-112(66,67)68)98-55(47(109-115(75,76)77)40(32)108-114(72,73)74)104-39-37(86-9)45(89-12)53(105-42(39)49(58)59)99-29-23(18-92-110(60,61)62)91-17-27(28(29)81-4)107-113(69,70)71/h21-59H,14-20H2,1-13H3,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t21-,22-,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,50?,51-,52+,53+,54+,55+/m0/s1","","2004-04-20","2020-07-17","[(2R,3R,4S,5S)-3-{[(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-5-({(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-5-({(2R,3R,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-5-{[(2R,3R,4S,6S)-3,4-dimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3,4-dimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3,4-dimethoxy-6-[(sulfooxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)-3,4-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-3,4-bis(sulfooxy)-6-[(sulfooxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)-3,4-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-2-yl]methyl hydrogen sulfate (non-preferred name)",""],["BRJ","2-BROMOETHANOL","C2 H5 Br O","BrCCO;OCCBr;C(CBr)O","InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2","","2004-11-03","2011-06-04","2-bromoethanol",""],["BRK","{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE","C18 H17 N3 O3 S","O=C(C=2S/C(=Nc1ccc(OC)cc1)NC=2N)c3ccc(OC)cc3;COc1ccc(cc1)N=C2NC(=C(S2)C(=O)c3ccc(OC)cc3)N;COc1ccc(cc1)C(=O)C2=C(NC(=Nc3ccc(cc3)OC)S2)N","InChI=1S/C18H17N3O3S/c1-23-13-7-3-11(4-8-13)15(22)16-17(19)21-18(25-16)20-12-5-9-14(24-2)10-6-12/h3-10H,19H2,1-2H3,(H,20,21)","","2006-07-26","2011-06-04","{(2Z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone",""],["NT2","2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE","C6 H12 O18 S4","O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O;O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1","","2004-04-20","2020-04-13","2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose",""],["NT3","Nitroprusside ion","C5 H Fe N6 O","[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[OH+];[C-](#N)[Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[N]#[OH+]","InChI=1S/5CN.Fe.HNO/c5*1-2;;1-2/h;;;;;;2H/q5*-1;+2;/p+1","","2022-09-05","2023-02-24","","2023-03-01"],["BRL","2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)","C18 H19 N3 O3 S","O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3;CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3ccccn3;CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3","InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m0/s1","BRL49653; ROSIGLITAZONE","1999-07-08","2020-06-17","(5S)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione",""],["NT4","N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide","C27 H30 N6 O3","O=C(NC1CCC(N)CC1)c4cc(Oc2ccc(C(=[N@H])N)cc2)cc(Oc3ccc(C(=[N@H])N)cc3)c4;N[CH]1CC[CH](CC1)NC(=O)c2cc(Oc3ccc(cc3)C(N)=N)cc(Oc4ccc(cc4)C(N)=N)c2;c1cc(ccc1C(=N)N)Oc2cc(cc(c2)Oc3ccc(cc3)C(=N)N)C(=O)NC4CCC(CC4)N","InChI=1S/C27H30N6O3/c28-19-5-7-20(8-6-19)33-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)32/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t19-,20-","","2014-01-22","2014-05-23","N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide","2014-05-28"],["BRM","2-BROMOACETYL GROUP","C2 H3 Br O2","BrCC(=O)O;OC(=O)CBr;C(C(=O)O)Br","InChI=1/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/f/h4H","","1999-07-08","2008-10-14","bromoacetic acid",""],["NT5","[(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone","C24 H25 F N4 O2","C[CH]1CC[CH](COc2ccc(F)cn2)CN1C(=O)c3cc(C)ccc3c4ncccn4;Cc1ccc(c(c1)C(=O)N2CC(CCC2C)COc3ccc(cn3)F)c4ncccn4","InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1","","2019-12-12","2019-12-27","[(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone","2020-01-01"],["BRN","BERENIL","C14 H15 N7","N(=N/Nc1ccc(cc1)C(=[N@H])N)c2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1;c1cc(ccc1C(=N)N)NN=Nc2ccc(cc2)C(=N)N","InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)","DIMINAZINE ACETURATE; 1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE","1999-07-08","2020-06-17","4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide",""],["NT6","(3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide","C16 H18 Cl2 N2 O","O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(C3)C1)C2;Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl;c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)Cl)Cl","InChI=1S/C16H18Cl2N2O/c17-12-4-14(19-8-13(12)18)20-15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H,19,20,21)/t9-,10+,11-,16-","","2022-04-08","2023-07-21","(3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide","2023-07-26"],["BRO","BROMO GROUP","Br","Br;[Br];[Br-]","InChI=1/BrH/h1H","","1999-07-08","2008-10-14","hydrogen bromide",""],["NT7","N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide","C14 H20 N2 O2","N(C(=O)CN1CCOCC1)c2cccc(c2C)C;Cc1cccc(NC(=O)CN2CCOCC2)c1C;Cc1cccc(c1C)NC(=O)CN2CCOCC2","InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)","","2019-05-28","2019-08-02","N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide","2019-08-07"],["BRP","2-BROMO-2-PROPENE-1-OL","C3 H5 Br O","Br/C(=C)CO;OCC(Br)=C;C=C(CO)Br","InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2","","2001-10-23","2011-06-04","2-bromoprop-2-en-1-ol",""],["NT8","(1-azanyl-1-phosphono-decyl)phosphonic acid","C10 H25 N O6 P2","CCCCCCCCCC(N)([P](O)(O)=O)[P](O)(O)=O;CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O","InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h2-9,11H2,1H3,(H2,12,13,14)(H2,15,16,17)","","2015-12-24","2016-07-01","(1-azanyl-1-phosphono-decyl)phosphonic acid","2016-07-06"],["BRQ","{[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE","C16 H12 Cl F N3 O S","Fc1ccc(cc1)C(=O)c3sc(Nc2cc(Cl)ccc2)[nH+]c3N;Nc1[nH+]c(Nc2cccc(Cl)c2)sc1C(=O)c3ccc(F)cc3;c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N","InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)/p+1","","2006-07-26","2011-06-04","4-amino-2-[(3-chlorophenyl)amino]-5-[(4-fluorophenyl)carbonyl]-1,3-thiazol-3-ium",""],["NT9","~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine","C12 H13 N S","CNCc1ccc(cc1)c2sccc2;CNCc1ccc(cc1)c2cccs2","InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3","","2022-08-22","2023-09-23","~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine","2022-11-23"],["BRR","(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID","C8 H15 N O4","O=C(O)C(CCCC)CN(O)C=O;CCCC[CH](CN(O)C=O)C(O)=O;CCCCC(CN(C=O)O)C(=O)O","InChI=1S/C8H15NO4/c1-2-3-4-7(8(11)12)5-9(13)6-10/h6-7,13H,2-5H2,1H3,(H,11,12)/t7-/m1/s1","","2003-12-02","2011-06-04","(2R)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid",""],["NTA","NITRILOTRIACETIC ACID","C6 H9 N O6","O=C(O)CN(CC(=O)O)CC(=O)O;OC(=O)CN(CC(O)=O)CC(O)=O;C(C(=O)O)N(CC(=O)O)CC(=O)O","InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)","","1999-09-02","2024-09-27","2,2',2''-nitrilotriacetic acid",""],["BRS","2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL","C14 H11 Cl N2 O5","Clc1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)C;C[CH](c1ccc(Cl)cc1)c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O;CC(c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1","DNP-19","2001-12-07","2020-06-17","2-[(1R)-1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol",""],["BRT","5-BROMONICOTINAMIDE","C6 H5 Br N2 O","O=C(c1cncc(Br)c1)N;NC(=O)c1cncc(Br)c1;c1c(cncc1Br)C(=O)N","InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)","","2002-04-15","2011-06-04","5-bromopyridine-3-carboxamide",""],["NTB","TERTIARY-BUTYLAMINE","C4 H11 N","NC(C)(C)C;CC(C)(C)N;CC(C)(C)N","InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3","","1999-07-08","2011-06-04","2-methylpropan-2-amine",""],["NTC","2-HYDROXY-2-NITROMETHYL SUCCINIC ACID","C5 H7 N O7","O=C(O)CC(O)(C(=O)O)C[N+](=O)[O-];OC(=O)C[C](O)(C[N+]([O-])=O)C(O)=O;C(C(=O)O)C(C[N+](=O)[O-])(C(=O)O)O","InChI=1S/C5H7NO7/c7-3(8)1-5(11,4(9)10)2-6(12)13/h11H,1-2H2,(H,7,8)(H,9,10)/t5-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-hydroxy-2-(nitromethyl)butanedioic acid",""],["BRU","5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C9 H12 Br N2 O8 P","BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O","InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1","","1999-07-08","2011-06-04","5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["NTD","2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE","C14 H10 F3 N O5","O=C2C(=C(O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(=O)CCC2;OC(c1ccc(cc1[N+]([O-])=O)C(F)(F)F)=C2C(=O)CCCC2=O;c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O","InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,21H,1-3H2","","2004-05-17","2011-06-04","2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylidene}cyclohexane-1,3-dione",""],["BRV","5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid","C8 H4 Br3 N O4","Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O;Nc1c(Br)c(C(O)=O)c(Br)c(C(O)=O)c1Br;c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O","InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)","5-Amino-2,4,6-tribromoisophthalic acid","2009-03-30","2020-06-17","5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid",""],["NTE","[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro\npanoato(2-)]iron","C34 H31 Fe N5 O6","N45[Fe]26n1c8c(c(c1C=C3N2=C(C(=C3C)C=C[N+]([O-])=O)C=C4C(=C(C5=CC7=N6C(C(=C7C)CCC(=O)O)=C8)C=C)C)C)CCC(O)=O;CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C[N+]([O-])=O)C)c(C)c7C=C;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C[N+](=O)[O-])C)CCC(=O)O","InChI=1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27;/h6,11-16H,1,7-10H2,2-5H3,(H4,35,36,37,38,40,41,42,43);/q;+2/p-2/b12-11+,25-13-,26-13-,27-15-,28-14-,29-14-,30-15-,31-16-,32-16-;","Nitriheme","2011-03-02","2020-06-17","{3,3'-[7-ethenyl-3,8,13,17-tetramethyl-12-(2-nitroethenyl)porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron",""],["BRW","6-BROMOINDIRUBIN-3'-OXIME","C16 H10 Br N3 O2","Brc1ccc2c(c1)NC(=O)C/2=C4C(=NO)c3ccccc3N4;ON=C1C(Nc2ccccc12)=C3C(=O)Nc4cc(Br)ccc34;c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2","InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+","(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME","2004-01-14","2020-06-17","(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime",""],["NTF","N-(trifluoroacetyl)-beta-D-glucopyranosylamine","C8 H12 F3 N O6","O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F)F;OC[CH]1O[CH](NC(=O)C(F)(F)F)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)NC(=O)C(F)(F)F)O)O)O)O","InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-6-5(16)4(15)3(14)2(1-13)18-6/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4+,5-,6-/m1/s1","N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE; N-(trifluoroacetyl)-beta-D-glucosylamine;\nN-(trifluoroacetyl)-D-glucosylamine; N-(trifluoroacetyl)-glucosylamine","2005-01-12","2020-07-17","N-(trifluoroacetyl)-beta-D-glucopyranosylamine",""],["BRX","BROMAMPHENICOL","C11 H12 Br2 N2 O5","BrC(Br)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO;OC[CH](NC(=O)C(Br)Br)[CH](O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1C(C(CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]","InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1","","2008-08-28","2011-06-04","2,2-dibromo-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide",""],["NTG","5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile","C11 H13 N3 O","N#Cc2ncc(N1CCCOCC1)cc2;N#Cc1ccc(cn1)N2CCCOCC2;c1cc(ncc1N2CCCOCC2)C#N","InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2","","2019-05-28","2019-08-02","5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile","2019-08-07"],["BRY","(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE","C16 H9 Br N2 O2","O=C/4c1ccccc1NC4=C3/c2cc(Br)ccc2NC3=O;Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1;c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)Br)N2","InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-","","2005-01-10","2011-06-04","(2Z)-5'-bromo-2,3'-biindole-2',3(1H,1'H)-dione",""],["NTH","SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER","C22 H30 O5","O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3C(=CC(=O)CC3)CC4;C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2OC(=O)CCC(O)=O;CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=CC(=O)CCC34","InChI=1S/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+,22-/m0/s1","","1999-07-08","2011-06-04","4-oxo-4-{[(9beta,10alpha,13alpha,14beta,17alpha)-3-oxoestr-4-en-17-yl]oxy}butanoic acid",""],["BRZ","6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE","C19 H22 O4","O=C3Oc2cc1OC(Cc1cc2C=C3C(C=C)(C)C)C(O)(C)C;CC(C)(O)[CH]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C;CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)OC(C3)C(C)(C)O","InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1","","2001-10-16","2011-06-04","(2S)-6-(1,1-dimethylprop-2-en-1-yl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one",""],["NTI","2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate","C12 H9 N3 O5 S","O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(=O)C;CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([O-])=O;CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]","InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)","","2011-12-26","2012-08-24","2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate","2012-08-24"],["BS0","6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one","C19 H16 N2 O2 S","O=C1CCc2cc(ccc2N1)c3csc(COc4ccccc4)n3;c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4","InChI=1S/C19H16N2O2S/c22-18-9-7-13-10-14(6-8-16(13)20-18)17-12-24-19(21-17)11-23-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11H2,(H,20,22)","","2019-03-05","2020-03-20","6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1~{H}-quinolin-2-one","2020-03-25"],["BS1","(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE","C24 H30 N O","O(C3c1ccccc1CCc2ccccc23)C5CC4[N+](C)(C(CC4)C5)C;C[N+]1(C)[CH]2CC[CH]1CC(C2)O[CH]3c4ccccc4CCc5ccccc35;C[N+]1(C2CCC1CC(C2)OC3c4ccccc4CCc5c3cccc5)C","InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-","","2009-01-16","2011-06-04","(3-exo)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane",""],["NTJ","R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE","C4 H12 N O2 P","O=P(OCC)N(C)C;CCO[PH](=O)N(C)C;CCOP(=O)N(C)C","InChI=1S/C4H12NO2P/c1-4-7-8(6)5(2)3/h8H,4H2,1-3H3","","2005-09-07","2024-09-27","ethyl (S)-N,N-dimethylphosphonamidoate",""],["NTK","2,3-di(butanoyloxy)propyl butanoate","C15 H26 O6","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC;CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3","","2019-12-12","2020-05-15","2,3-di(butanoyloxy)propyl butanoate","2020-05-20"],["BS2","(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE","C29 H32 N O","O(C3c1ccccc1CCc2ccccc23)C6CC5[NH+](Cc4ccccc4)C(CC5)C6;C1C[CH]2CC(C[CH]1[NH+]2Cc3ccccc3)OC4c5ccccc5CCc6ccccc46;c1ccc(cc1)C[NH+]2C3CCC2CC(C3)OC4c5ccccc5CCc6c4cccc6","InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/p+1/t24-,25+,26+","","2009-01-16","2011-06-04","(3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane",""],["NTL","N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino)\n-2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide","C23 H43 N5 O8","CCNC1C(C(C(C(C1)N)OC2C(CC=C(CN)O2)NC(C)=O)O)OC3OCC(C)(C(C3O)NC)O;CCN[CH]1C[CH](N)[CH](O[CH]2OC(=CC[CH]2NC(C)=O)CN)[CH](O)[CH]1O[CH]3OC[C](C)(O)[CH](NC)[CH]3O;CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)NC(=O)C)N","InChI=1S/C23H43N5O8/c1-5-27-15-8-13(25)18(35-21-14(28-11(2)29)7-6-12(9-24)34-21)16(30)19(15)36-22-17(31)20(26-4)23(3,32)10-33-22/h6,13-22,26-27,30-32H,5,7-10,24-25H2,1-4H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20-,21+,22+,23-/m0/s1","acetylated-netilmicin","2020-02-07","2021-05-28","N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino)-2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide","2021-06-02"],["BS3","Bismuth(III) ION","Bi","[Bi+3];[Bi+3];[Bi+3]","InChI=1S/Bi/q+3","","2011-09-25","2012-12-21","Bismuth(3+)","2012-12-21"],["NTM","QUINOLINIC ACID","C7 H5 N O4","O=C(O)c1ncccc1C(=O)O;OC(=O)c1cccnc1C(O)=O;c1cc(c(nc1)C(=O)O)C(=O)O","InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)","","1999-07-08","2011-06-04","pyridine-2,3-dicarboxylic acid",""],["BS4","N-[(4-aminophenyl)sulfonyl]benzamide","C13 H12 N2 O3 S","O=S(=O)(NC(=O)c1ccccc1)c2ccc(N)cc2;Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2;c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N","InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)","","2011-04-01","2012-03-16","N-[(4-aminophenyl)sulfonyl]benzamide",""],["BS5","5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine","C20 H29 N9 O7 S2","O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O)N","InChI=1S/C20H29N9O7S2/c21-17-14-18(23-7-22-17)29(8-24-14)19-16(32)15(31)10(36-19)5-25-38(34,35)28-12(30)4-2-1-3-11-13-9(6-37-11)26-20(33)27-13/h7-11,13,15-16,19,25,31-32H,1-6H2,(H,28,30)(H2,21,22,23)(H2,26,27,33)/t9-,10+,11-,13-,15+,16+,19+/m0/s1","","2011-05-10","2011-12-09","5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine",""],["NTN","ISONICOTINAMIDINE","C6 H7 N3","[N@H]=C(N)c1ccncc1;NC(=N)c1ccncc1;c1cnccc1C(=N)N","InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)","","2001-04-16","2024-09-27","pyridine-4-carboximidamide",""],["NTO","TRISULFOAMINO HEPARIN PENTASACCHARIDE","C31 H53 N3 O49 S8","O=S(=O)(O)NC5C(O)C(O)C(OC5OC1C(O)C(O)C(OC1C(=O)O)OC4C(OC(OC3C(O)C(OS(=O)(=O)O)C(OC2C(O)C(NS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(NS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]5N[S](O)(=O)=O)[CH](O)[CH]4O)C(O)=O)[CH](O[S](O)(=O)=O)[CH]3N[S](O)(=O)=O)[CH](O)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O)[CH]1N[S](O)(=O)=O;COC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O","InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1","Fondaparinux","2006-04-03","2020-07-17","methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside",""],["BS6","2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide","C23 H25 N5 O4 S","COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cc(nc2c34)N5CCN(C)CC5;CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C","InChI=1S/C23H25N5O4S/c1-26-10-12-28(13-11-26)20-14-15-21-17(27(2)23(15)29)9-8-16(22(21)24-20)25-33(30,31)19-7-5-4-6-18(19)32-3/h4-9,14,25H,10-13H2,1-3H3","","2019-03-06","2020-01-17","2-methoxy-~{N}-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide","2020-01-22"],["NTP","HEPARIN PENTASACCHARIDE","C36 H60 O55 S9","O=S(=O)(OC5C(OC)C(OC)C(OC5OC1C(OC)C(OC)C(OC1C(=O)O)OC4C(OC(OC3C(OC)C(OS(=O)(=O)O)C(OC2C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)O;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](CO[S](O)(=O)=O)[CH](OC)[CH](OC)[CH]5O[S](O)(=O)=O)[CH](OC)[CH]4OC)C(O)=O)[CH](O[S](O)(=O)=O)[CH]3O[S](O)(=O)=O)[CH](OC)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;COC1C(OC(C(C1OC)OS(=O)(=O)O)OC2C(C(C(OC2C(=O)O)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O","InChI=1S/C36H60O55S9/c1-68-13-10(7-74-92(41,42)43)78-34(26(16(13)69-2)88-97(56,57)58)82-19-17(70-3)25(72-5)33(84-23(19)30(37)38)80-15-12(9-76-94(47,48)49)79-35(29(91-100(65,66)67)22(15)87-96(53,54)55)83-20-18(71-4)27(89-98(59,60)61)36(85-24(20)31(39)40)81-14-11(8-75-93(44,45)46)77-32(73-6)28(90-99(62,63)64)21(14)86-95(50,51)52/h10-29,32-36H,7-9H2,1-6H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26-,27-,28-,29-,32+,33-,34-,35-,36-/m1/s1","","1999-07-08","2020-07-17","methyl 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-beta-D-glucopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranoside",""],["BS7","8-hydroxyquinoline beta-galactopyranoside","C15 H17 N O6","C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O;OC[CH]1O[CH](Oc2cccc3cccnc23)[CH](O)[CH](O)[CH]1O;c1cc2cccnc2c(c1)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1","quinolin-8-yl beta-D-galactopyranoside; 8-hydroxyquinoline beta-galactoside","2017-08-23","2020-07-17","quinolin-8-yl beta-D-galactopyranoside","2018-02-28"],["BS8","7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine","C11 H8 F N5","Nc1[nH]c2c(ccnc2n1)c3ccncc3F;c1cncc(c1c2ccnc3c2[nH]c(n3)N)F","InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)","","2017-10-12","2018-10-26","7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine","2018-10-31"],["NTQ","(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide","C17 H20 F2 N4 O2","Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(=O)[CH]4CC4(F)F)c12;Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)C4CC4(F)F","InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1","","2019-12-13","2020-06-05","(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide","2020-06-10"],["BSA","2-(BENZOYLAMINO)ETHANESULFONIC ACID","C9 H11 N O4 S","O=C(NCCS(=O)(=O)O)c1ccccc1;O[S](=O)(=O)CCNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCCS(=O)(=O)O","InChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14)","","2005-02-11","2024-09-27","2-[(phenylcarbonyl)amino]ethanesulfonic acid",""],["NTR","META-HYDROXY BETA NOR-TYROSINE","C8 H9 N O4","O=C(O)C(c1cc(O)c(O)cc1)N;N[CH](C(O)=O)c1ccc(O)c(O)c1;c1cc(c(cc1C(C(=O)O)N)O)O","InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-2-5(10)6(11)3-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1","","2002-09-02","2013-01-04","(2R)-amino(3,4-dihydroxyphenyl)ethanoic acid","2013-01-04"],["NTS","NAPHTHALENE TRISULFONATE","C10 H5 O9 S3","[O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O;[O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O;c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]","InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3","","1999-07-08","2011-06-04","naphthalene-1,3,6-trisulfonate",""],["BSB","N-BENZYL-4-SULFAMOYL-BENZAMIDE","C14 H14 N2 O3 S","O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2;c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)","","2000-10-30","2011-06-04","N-benzyl-4-sulfamoylbenzamide",""],["NTT","[(1R,5R,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate","C12 H18 N3 O9 P","O=C1C(=CN(C(=O)N1)C3OC2(C(O)C3ON(C)C2)COP(=O)(O)O)C;CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH]2O)N3C=C(C)C(=O)NC3=O;CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN(O3)C)COP(=O)(O)O)O","InChI=1S/C12H18N3O9P/c1-6-3-15(11(18)13-9(6)17)10-7-8(16)12(23-10,4-14(2)24-7)5-22-25(19,20)21/h3,7-8,10,16H,4-5H2,1-2H3,(H,13,17,18)(H2,19,20,21)/t7-,8+,10-,12-/m1/s1","","2014-08-05","2015-08-14","[(1R,5R,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate","2015-08-19"],["BSC","(2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid","C8 H18 N2 O3 S","CCCCS(=N)(=O)CCC(C(=O)O)N;CCCC[S](=N)(=O)CC[CH](N)C(O)=O;CCCCS(=N)(=O)CCC(C(=O)O)N","InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14+/m0/s1","L-BUTHIONINE-[S,R]-SULFOXIMINE","2006-05-05","2021-03-13","(2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid",""],["NTU","N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE","C18 H38 N4 S2","N(=C(/SC)N)CCCCCCCCCCCCCC/N=C(SC)N;CSC(N)=NCCCCCCCCCCCCCCN=C(N)SC;CSC(=NCCCCCCCCCCCCCCN=C(N)SC)N","InChI=1S/C18H38N4S2/c1-23-17(19)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18(20)24-2/h3-16H2,1-2H3,(H2,19,21)(H2,20,22)","","2001-03-14","2011-06-04","dimethyl N',N'''-tetradecane-1,14-diylbis(imidothiocarbamate)",""],["BSD","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide","C36 H42 N4 O6 S","O=S(=O)(N(c2cc(cc(C(=O)NC(c1ccccc1)C)c2)C(=O)NC(Cc3ccccc3)C(O)CNCc4cc(OC)ccc4)C)C;COc1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O)N[CH](C)c4ccccc4)N(C)[S](C)(=O)=O)c1;CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O","InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1","","2007-12-04","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide",""],["NTV","(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide","C12 H14 Cl N O2","N(C(=O)C1CCCO1)c2cccc(c2C)Cl;Cc1c(Cl)cccc1NC(=O)[CH]2CCCO2;Cc1c(cccc1Cl)NC(=O)C2CCCO2","InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1","","2019-05-28","2019-08-02","(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide","2019-08-07"],["BSE","BETA-3-SERINE","C4 H9 N O3","O=C(O)C(CN)CO;NC[CH](CO)C(O)=O;C(C(CO)C(=O)O)N","InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1","","2001-06-01","2024-09-27","(2S)-3-amino-2-(hydroxymethyl)propanoic acid",""],["NTW","2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile","C15 H18 N4 O","Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH](CC3)CC#N)c12;Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N","InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)/t10-,11-","","2019-12-13","2020-06-05","2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile","2020-06-10"],["BSF","{[(benzylsulfonyl)amino]methyl}boronic acid","C8 H12 B N O4 S","O=S(=O)(NCB(O)O)Cc1ccccc1;OB(O)CN[S](=O)(=O)Cc1ccccc1;B(CNS(=O)(=O)Cc1ccccc1)(O)O","InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2","","2010-08-03","2024-09-27","{[(benzylsulfonyl)amino]methyl}boronic acid",""],["NTX","N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide","C29 H34 N6 O3","O=C(NC1CCC(N)CC1)c4cc(OCc2cccc(C(=[N@H])N)c2)cc(OCc3cccc(C(=[N@H])N)c3)c4;N[CH]1CC[CH](CC1)NC(=O)c2cc(OCc3cccc(c3)C(N)=N)cc(OCc4cccc(c4)C(N)=N)c2;c1cc(cc(c1)C(=N)N)COc2cc(cc(c2)OCc3cccc(c3)C(=N)N)C(=O)NC4CCC(CC4)N","InChI=1S/C29H34N6O3/c30-23-7-9-24(10-8-23)35-29(36)22-13-25(37-16-18-3-1-5-20(11-18)27(31)32)15-26(14-22)38-17-19-4-2-6-21(12-19)28(33)34/h1-6,11-15,23-24H,7-10,16-17,30H2,(H3,31,32)(H3,33,34)(H,35,36)/t23-,24-","","2014-01-22","2014-05-23","N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide","2014-05-28"],["BSG","4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid","C9 H12 B N O6 S","O=S(=O)(NCB(O)O)Cc1ccc(cc1)C(=O)O;OB(O)CN[S](=O)(=O)Cc1ccc(cc1)C(O)=O;B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O","InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)","","2010-08-03","2024-09-27","4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid",""],["BSH","3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid","C16 H18 B N O6 S","O=S(=O)(NC(B(O)O)Cc1cccc(C(=O)O)c1)Cc2ccccc2;OB(O)[CH](Cc1cccc(c1)C(O)=O)N[S](=O)(=O)Cc2ccccc2;B(C(Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O","InChI=1S/C16H18BNO6S/c19-16(20)14-8-4-7-13(9-14)10-15(17(21)22)18-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,18,21-22H,10-11H2,(H,19,20)/t15-/m0/s1","","2010-08-03","2024-09-27","3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid",""],["NTY","BETA NOR-TYROSINE","C8 H9 N O3","O=C(O)C(N)c1ccc(O)cc1;N[CH](C(O)=O)c1ccc(O)cc1;c1cc(ccc1C(C(=O)O)N)O","InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1/f/h11H","","2002-09-02","2009-01-07","(2R)-amino(4-hydroxyphenyl)ethanoic acid",""],["NTZ","NOJIRIMYCINE TETRAZOLE","C6 H10 N4 O4","n1nnn2c1C(O)C(O)C(O)C2CO;OC[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12;C(C1C(C(C(c2n1nnn2)O)O)O)O","InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m1/s1","","1999-07-08","2011-06-04","(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6,7,8-triol",""],["BSI","2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID","C22 H19 N O4 S","O=S(=O)(c2ccc(c1ccccc1)cc2)N4C(C(=O)O)Cc3c(cccc3)C4;OC(=O)[CH]1Cc2ccccc2CN1[S](=O)(=O)c3ccc(cc3)c4ccccc4;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N3Cc4ccccc4CC3C(=O)O","InChI=1S/C22H19NO4S/c24-22(25)21-14-18-8-4-5-9-19(18)15-23(21)28(26,27)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,25)/t21-/m1/s1","","1999-08-04","2011-06-04","(3R)-2-(biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid",""],["NU0","2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide","C16 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2ccncc21;Clc1cccc(CC(=O)Nc2cncc3ccncc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cncc3","InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-8-12-4-5-18-9-14(12)15/h1-6,8-10H,7H2,(H,20,21)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide","2023-11-08"],["BSJ","(3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C36 H62 N11 O23 P3 S","O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)N=C/CSCCC(=O)NCC3OC(OC2C(O)C(O)C(N)CC2N)C(N)C(O)C3O)n4c5ncnc(N)c5nc4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)N=CCSCCC(=O)NC[CH]4O[CH](O[CH]5[CH](N)C[CH](N)[CH](O)[CH]5O)[CH](N)[CH](O)[CH]4O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)N=CCSCCC(=O)NCC4C(C(C(C(O4)OC5C(CC(C(C5O)O)N)N)N)O)O)O","InChI=1S/C36H62N11O23P3S/c1-36(2,12-65-73(62,63)70-72(60,61)64-11-18-29(69-71(57,58)59)27(54)34(66-18)47-14-46-22-31(40)44-13-45-32(22)47)30(55)33(56)42-5-3-19(48)41-6-8-74-7-4-20(49)43-10-17-24(51)25(52)21(39)35(67-17)68-28-16(38)9-15(37)23(50)26(28)53/h6,13-18,21,23-30,34-35,50-55H,3-5,7-12,37-39H2,1-2H3,(H,42,56)(H,43,49)(H,60,61)(H,62,63)(H2,40,44,45)(H2,57,58,59)/b41-6-/t15-,16+,17-,18-,21-,23+,24-,25-,26-,27-,28-,29-,30+,34-,35-/m1/s1","","2007-09-14","2011-06-04","(3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["NU1","8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE","C9 H8 N2 O2","O=C1c2c(N=C(N1)C)c(O)ccc2;CC1=Nc2c(O)cccc2C(=O)N1;CC1=Nc2c(cccc2O)C(=O)N1","InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)","NU1025","1999-07-08","2020-06-17","8-hydroxy-2-methylquinazolin-4(3H)-one",""],["BSM","5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE","C19 H18 Cl N3 O4","Clc3c(O)cc(O)c(c1c(c(nn1)C(=O)NCC)c2ccc(OC)cc2)c3;CCNC(=O)c1n[nH]c(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3;CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC","InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)","","2005-05-23","2011-06-04","5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide",""],["NU2","(3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione","C27 H34 N4 O5","CC[CH](C)[CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O)[CH](NC1=O)C4Cc5ccccc5C4;CCC(C)C1C(=O)NC(C(=O)N1C(c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4","InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1","","2019-12-13","2020-07-31","(3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione","2020-08-05"],["BSO","BIOTIN-D-SULFOXIDE","C10 H16 N2 O4 S","O=S2CC1NC(=O)NC1C2CCCCC(=O)O;OC(=O)CCCC[CH]1[CH]2NC(=O)N[CH]2C[S]1=O;C1C2C(C(S1=O)CCCCC(=O)O)NC(=O)N2","InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1","5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID","2005-09-19","2021-03-13","5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["NU3","2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide","C14 H11 N3 O2","O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N;NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3;c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N","InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)","","2013-08-22","2013-10-04","2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide","2013-10-09"],["BSP","3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION","C20 H8 Br4 O10 S2","[O-]S(=O)(=O)c1c(O)ccc(c1)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O;Oc1ccc(cc1[S]([O-])(=O)=O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)[S]([O-])(=O)=O;c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O","InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2","BROMOSULFALEIN","1999-07-08","2021-03-01","3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)",""],["NU4","2-methyl-N-(pyridin-4-yl)furan-3-carboxamide","C11 H10 N2 O2","N(c1ccncc1)C(c2ccoc2C)=O;Cc1occc1C(=O)Nc2ccncc2;Cc1c(cco1)C(=O)Nc2ccncc2","InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)","","2019-05-28","2019-08-02","2-methyl-N-(pyridin-4-yl)furan-3-carboxamide","2019-08-07"],["BST","6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT\nANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID","C17 H28 N8 O6","O=C1NC(O)(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C;CN(CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1C(O)=O)N2C=C[C](N)(O)NC2=O)C(N)=N;CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(NC2=O)(N)O)N)C(=N)N","InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1","TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S","2004-07-30","2020-06-17","(4S)-4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one",""],["NU5","3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL","C23 H32 N6 O4 S","O=S(=O)(c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4)CCNCCCO;OCCCNCC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1;c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO","InChI=1S/C23H32N6O4S/c30-13-4-11-24-12-14-34(31,32)19-9-7-18(8-10-19)27-23-28-21-20(25-16-26-21)22(29-23)33-15-17-5-2-1-3-6-17/h7-10,16-17,24,30H,1-6,11-15H2,(H2,25,26,27,28,29)","","2006-03-10","2011-06-04","3-({2-[(4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol",""],["BSU","1,3-DIPHENYLUREA","C13 H12 N2 O","O=C(Nc1ccccc1)Nc2ccccc2;O=C(Nc1ccccc1)Nc2ccccc2;c1ccc(cc1)NC(=O)Nc2ccccc2","InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)","DIPHENYLCARBAMIDE","2001-05-22","2020-06-17","1,3-diphenylurea",""],["NU6","3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide","C19 H22 N6 O2","NC(=O)c1cccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)c1;c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N","InChI=1S/C19H22N6O2/c20-16(26)13-7-4-8-14(9-13)23-19-24-17-15(21-11-22-17)18(25-19)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,26)(H2,21,22,23,24,25)","","2016-10-20","2016-11-04","3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide","2016-11-09"],["BSV","(2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid","C14 H14 O4","C(/C(c1c(C)ccc(c1)C2CC2)=O)=C(C(O)=O)O;Cc1ccc(cc1C(=O)C=C(O)C(O)=O)C2CC2;Cc1ccc(cc1C(=O)C=C(C(=O)O)O)C2CC2","InChI=1S/C14H14O4/c1-8-2-3-10(9-4-5-9)6-11(8)12(15)7-13(16)14(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)/b13-7-","","2017-08-24","2018-08-24","(2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid","2018-08-29"],["NU7","N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide","C26 H24 F3 N5 O2 S","FC(F)(F)c1nc(no1)c2cccc(c2)C(=O)NCC5(c3nc(cs3)c4ccccc4)CCN(C)CC5;CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3noc(n3)C(F)(F)F)c4scc(n4)c5ccccc5;CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5","InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)","","2013-02-18","2013-03-22","N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide","2013-03-27"],["BSW","4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","C12 H8 F N3","Fc1cnccc1c2ccnc3[nH]ccc23;c1c[nH]c2c1c(ccn2)c3ccncc3F","InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16)","","2017-10-12","2018-10-26","4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine","2018-10-31"],["NU8","2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one","C20 H15 F3 N4 O5 S","COc1cc(cnc1OC)N2C(=O)N(Cc3c(F)cc(F)cc3F)c4ncccc4[S]2(=O)=O;COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F","InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3","","2019-12-13","2019-12-27","2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one","2020-01-01"],["BSX","2-(2-fluorophenyl)ethanamine","C8 H10 F N","NCCc1ccccc1F;c1ccc(c(c1)CCN)F","InChI=1S/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2","","2015-12-21","2016-12-16","2-(2-fluorophenyl)ethanamine","2016-12-21"],["NU9","N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide","C25 H21 F3 N4 O3 S","FC(F)(F)c1nc(no1)c2cccc(c2)C(=O)NCC5(c3nc(cs3)c4ccccc4)CCOCC5;FC(F)(F)c1onc(n1)c2cccc(c2)C(=O)NCC3(CCOCC3)c4scc(n4)c5ccccc5;c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F","InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)","","2013-02-18","2013-03-22","N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide","2013-03-27"],["BSY","BISELENITE ION","H O3 Se","[O-][Se](=O)O;O[Se]([O-])=O;O[Se](=O)[O-]","InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-1","","2014-01-15","2014-09-05","hydrogen selenite","2014-03-05"],["NUA","N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide","C10 H15 N3 O","n1(CC)ncc(c1)NC(=O)C2CCC2;CCn1cc(NC(=O)C2CCC2)cn1;CCn1cc(cn1)NC(=O)C2CCC2","InChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)","","2019-05-28","2019-07-05","N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide","2019-07-10"],["BSZ","3-chloro-4-methoxybenzenesulfonic acid","C7 H7 Cl O4 S","Clc1cc(ccc1OC)S(=O)(=O)O;COc1ccc(cc1Cl)[S](O)(=O)=O;COc1ccc(cc1Cl)S(=O)(=O)O","InChI=1S/C7H7ClO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H,9,10,11)","","2011-10-26","2012-08-24","3-chloro-4-methoxybenzenesulfonic acid","2012-08-24"],["NUB","1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one","C20 H23 N3 O2","CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOCC4;CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4","InChI=1S/C20H23N3O2/c1-14-11-16(13-22(2)20(14)24)19-21-17-5-3-4-6-18(17)23(19)12-15-7-9-25-10-8-15/h3-6,11,13,15H,7-10,12H2,1-2H3","1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one","2019-12-16","2021-03-13","1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one","2020-01-15"],["BT0","2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide","C19 H16 N2 O4 S","COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cccc2c34;CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC","InChI=1S/C19H16N2O4S/c1-21-15-11-10-14(12-6-5-7-13(18(12)15)19(21)22)20-26(23,24)17-9-4-3-8-16(17)25-2/h3-11,20H,1-2H3","","2019-03-07","2020-01-17","2-methoxy-~{N}-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide","2020-01-22"],["NUC","(2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide","C23 H24 N4 O3","NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C;CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3cnc4NC(=O)[CH](N)CCc4c3;Cc1c2ccccc2oc1CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N","InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m0/s1","","2022-04-08","2022-12-09","(2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide","2022-12-14"],["BT1","{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONE","C32 H35 N3 O3 S","O=C(c1c4ccccc4sc1c3ccc(OCCN2CCCC2)cc3)c6ccc(OCCN5CCCC5)nc6;O=C(c1ccc(OCCN2CCCC2)nc1)c3c(sc4ccccc34)c5ccc(OCCN6CCCC6)cc5;c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6","InChI=1S/C32H35N3O3S/c36-31(25-11-14-29(33-23-25)38-22-20-35-17-5-6-18-35)30-27-7-1-2-8-28(27)39-32(30)24-9-12-26(13-10-24)37-21-19-34-15-3-4-16-34/h1-2,7-14,23H,3-6,15-22H2","","1999-10-11","2011-06-04","{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone",""],["NUD","4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide","C18 H17 N5 O3 S","O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)cc2N)C)cc3;Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N)cc1O;Cc1cc(c(cc1O)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3","InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+","","2013-12-16","2014-03-28","4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide","2014-04-02"],["BT2","3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE","C33 H38 N2 O2 S","O(c1ccc(cc1)Cc2c5ccccc5sc2c4ccc(OCCN3CCCC3)cc4)CCN6CCCC6;C1CCN(C1)CCOc2ccc(Cc3c(sc4ccccc34)c5ccc(OCCN6CCCC6)cc5)cc2;c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6","InChI=1S/C33H38N2O2S/c1-2-8-32-30(7-1)31(25-26-9-13-28(14-10-26)36-23-21-34-17-3-4-18-34)33(38-32)27-11-15-29(16-12-27)37-24-22-35-19-5-6-20-35/h1-2,7-16H,3-6,17-25H2","","1999-10-11","2011-06-04","1-[2-(4-{3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-1-benzothiophen-2-yl}phenoxy)ethyl]pyrrolidine",""],["NUE","4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide","C19 H19 N5 O3 S","O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(c2N)C)C)cc3;Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N)c(C)c1O;Cc1cc(c(c(c1O)C)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3","InChI=1S/C19H19N5O3S/c1-12-11-16(18(20)13(2)19(12)25)23-22-14-6-8-15(9-7-14)28(26,27)24-17-5-3-4-10-21-17/h3-11,25H,20H2,1-2H3,(H,21,24)/b23-22+","","2013-12-16","2014-03-28","4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide","2014-04-02"],["BT3","3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL","C32 H37 N3 O3 S","O(c1ccc(cc1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3CCCC3)nc4)CCN6CCCC6;Oc1ccc2c(Cc3ccc(OCCN4CCCC4)cc3)c(sc2c1)c5ccc(OCCN6CCCC6)nc5;c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6","InChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-9-27(10-6-24)37-19-17-34-13-1-2-14-34)32(39-30(28)22-26)25-7-12-31(33-23-25)38-20-18-35-15-3-4-16-35/h5-12,22-23,36H,1-4,13-21H2","","1999-10-11","2011-06-04","3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophene-6-ol",""],["NUF","[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa\nO}(2-)]nickel (II)","C34 H38 F2 N4 Ni O4","Fc8cc3c(N5=Cc7c(O[Ni]54Oc2cc(OCCN1CCCCC1)ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F;Fc1cc2N|3=Cc4ccc(OCCN5CCCCC5)cc4O[Ni]|6|3Oc7cc(OCCN8CCCCC8)ccc7C=N|6c2cc1F;c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F","InChI=1S/C34H40F2N4O4.Ni/c35-29-21-31(37-23-25-7-9-27(19-33(25)41)43-17-15-39-11-3-1-4-12-39)32(22-30(29)36)38-24-26-8-10-28(20-34(26)42)44-18-16-40-13-5-2-6-14-40;/h7-10,19-24,41-42H,1-6,11-18H2;/q;+2/p-2/b37-23+,38-24+;","N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Nickel (II)","2011-03-03","2020-06-17","[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]nickel",""],["BT5","BIOTINYL-5-AMP","C20 H28 N7 O9 P S","O=C1NC2C(SCC2N1)CCCCC(=O)OP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O)N","InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1","","2004-10-06","2012-01-05","5'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine",""],["NUG","1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol","C10 H17 N O S","N2(CC1=CCSC1)CCC(CC2)O;OC1CCN(CC1)CC2=CCSC2;C1CN(CCC1O)CC2=CCSC2","InChI=1S/C10H17NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,10,12H,1-2,4-8H2","","2019-05-28","2019-08-02","1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol","2019-08-07"],["BT6","benzenethiol","C6 H6 S","Sc1ccccc1;Sc1ccccc1;c1ccc(cc1)S","InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H","","2009-06-11","2024-09-27","benzenethiol",""],["NUH","5-(3-methoxyphenyl)-1-methyl-pyridin-2-one","C13 H13 N O2","COc1cccc(c1)C2=CN(C)C(=O)C=C2;CN1C=C(C=CC1=O)c2cccc(c2)OC","InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3","5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one","2019-12-16","2021-03-13","5-(3-methoxyphenyl)-1-methyl-pyridin-2-one","2020-01-15"],["BT7","(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol","C10 H16 F2 N2 O","n1n(C(CC)CC)cc(C(C(F)F)O)c1;CCC(CC)n1cc(cn1)[CH](O)C(F)F;CCC(CC)n1cc(cn1)C(C(F)F)O","InChI=1S/C10H16F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8-10,15H,3-4H2,1-2H3/t9-/m0/s1","","2017-08-24","2024-09-27","(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol","2018-01-10"],["NUI","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide","C40 H52 Fe4 N8 O6 S10","O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCC(=O)Nc3cc4CS[Fe]56[S-]7[Fe]89SCc%10cc(CS[Fe+]%11([S-]58)[S-]6[Fe+]7(SCc(c4)c3)[S-]9%11)cc(NC(=O)CNC(=O)CCCC[CH]%12SC[CH]%13NC(=O)N[CH]%12%13)c%10;c1c2cc(cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+]78[S-]6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)CNC(=O)CCCCC1C3C(CS1)NC(=O)N3)CS8)SC2)NC(=O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2","InChI=1S/2C20H28N4O3S3.4Fe.4S/c2*25-17(4-2-1-3-16-19-15(11-30-16)23-20(27)24-19)21-8-18(26)22-14-6-12(9-28)5-13(7-14)10-29;;;;;;;;/h2*5-7,15-16,19,28-29H,1-4,8-11H2,(H,21,25)(H,22,26)(H2,23,24,27);;;;;;;;/q;;2*+1;2*+2;4*-1/p-4/t2*15-,16-,19-;;;;;;;;/m00......../s1","","2022-08-22","2023-09-23","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide","2023-08-23"],["BT8","3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole","C21 H26 N4 O3","n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(onc3OCC)c4;CCOc1noc2cc(OCCC3CCN(CC3)c4ccc(C)nn4)ccc12;CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C","InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3","BTA798","2012-01-05","2020-06-17","3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole","2012-09-07"],["BT9","3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid","C14 H10 F3 N O2","FC(F)(F)c1ccc(cc1)Nc2cc(ccc2)C(=O)O;OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1;c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O","InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)","","2012-01-19","2012-03-23","3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid",""],["NUJ","trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol","C11 H17 N3 O","N(c1nc(C)nc(c1)C)(C)C2CC(C2)O;CN([CH]1C[CH](O)C1)c2cc(C)nc(C)n2;Cc1cc(nc(n1)C)N(C)C2CC(C2)O","InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-","","2019-05-28","2019-08-02","trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol","2019-08-07"],["NUK","thieno[3,2-b]thiophene-5-carboxylic acid","C7 H4 O2 S2","OC(=O)c1sc2ccsc2c1;c1csc2c1sc(c2)C(=O)O","InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)","","2016-03-12","2016-03-25","thieno[3,2-b]thiophene-5-carboxylic acid","2016-03-30"],["BTA","4-DEMETHYL-LEUCINE","C5 H11 N O2","O=C(O)C(N)CCC;CCC[CH](N)C(O)=O;CCCC(C(=O)O)N","InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/f/h7H","","1999-07-08","2009-01-07","L-norvaline",""],["NUL","(1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol","C20 H25 N O4","COc1nc2c(C)cccc2cc1[CH](O)[CH]3[CH](O)C=CC(C)(C)[CH]3O;Cc1cccc2c1nc(c(c2)C(C3C(C=CC(C3O)(C)C)O)O)OC","InChI=1S/C20H25NO4/c1-11-6-5-7-12-10-13(19(25-4)21-16(11)12)17(23)15-14(22)8-9-20(2,3)18(15)24/h5-10,14-15,17-18,22-24H,1-4H3/t14-,15+,17-,18+/m1/s1","","2023-01-19","2023-12-15","(1~{S},2~{R},3~{R})-2-[(~{S})-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol","2023-12-20"],["BTB","2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL","C8 H19 N O5","OCCN(C(CO)(CO)CO)CCO;OCCN(CCO)C(CO)(CO)CO;C(CO)N(CCO)C(CO)(CO)CO","InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2","BIS-TRIS BUFFER","1999-07-08","2020-06-17","2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol",""],["BTC","CYSTEINE","C3 H7 N O2 S","O=C(O)C(N)CS;N[CH](CS)C(O)=O;C(C(C(=O)O)N)S","InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H","BIS-TRIS BUFFER","1999-07-08","2009-01-07","L-cysteine",""],["NUM","N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide","C14 H14 N2 O2","N(C(c1ccccn1)=O)CCc2ccc(cc2)O;Oc1ccc(CCNC(=O)c2ccccn2)cc1;c1ccnc(c1)C(=O)NCCc2ccc(cc2)O","InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)","","2019-05-28","2019-08-02","N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide","2019-08-07"],["NUN","1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one","C18 H18 N2 O S","CC(C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1;CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1;CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1","InChI=1S/C18H18N2OS/c1-18(2,3)15(21)11-22-17-19-10-13-9-8-12-6-4-5-7-14(12)16(13)20-17/h4-10H,11H2,1-3H3","","2022-04-08","2022-09-30","1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one","2022-10-05"],["BTD","5-BROMOTHIENYLDEOXYURIDINE","C13 H13 Br N2 O5 S","Brc3sc(C=1C(=O)NC(=O)N(C=1)C2OC(CO)C(O)C2)cc3;OC[CH]1O[CH](C[CH]1O)N2C=C(C(=O)NC2=O)c3sc(Br)cc3;c1cc(sc1C2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O)Br","InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1","","1999-07-08","2011-06-04","5-(5-bromothiophen-2-yl)-2'-deoxyuridine",""],["BTE","2,1,3-benzothiadiazol-4-amine","C6 H5 N3 S","n1snc2c(cccc12)N;Nc1cccc2nsnc12;c1cc(c2c(c1)nsn2)N","InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2","","2012-04-11","2013-01-25","2,1,3-benzothiadiazol-4-amine","2013-01-25"],["NUO","2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide","C19 H26 Cl N3 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3;c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CNC(=O)CCl","InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24)","","2022-08-23","2024-09-27","2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["NUP","6-AMINOURIDINE 5'-MONOPHOSPHATE","C9 H14 N3 O9 P","O=C1NC(=O)N(C(N)=C1)C2OC(C(O)C2O)COP(=O)(O)O;NC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N","InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1","","2007-06-28","2011-06-04","6-aminouridine 5'-(dihydrogen phosphate)",""],["BTF","iron(II) tetracyano-5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide","C26 H27 Fe N9 O2 S","Cc1ccnc(c1)c2cc(CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)ccn2.N#C[Fe](C#N)(C#N)C#N;CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCCC4C5C(CS4)NC(=O)N5","InChI=1S/C22H27N5O2S.4CN.Fe/c1-14-6-8-23-16(10-14)17-11-15(7-9-24-17)12-25-20(28)5-3-2-4-19-21-18(13-30-19)26-22(29)27-21;4*1-2;/h6-11,18-19,21H,2-5,12-13H2,1H3,(H,25,28)(H2,26,27,29);;;;;/t18-,19-,21-;;;;;/m0...../s1","","2009-03-05","2023-09-23","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(8,8,8,8-tetracyano-12-methyl-7$l^{4},9$l^{4}-diaza-8$l^{6}-ferratricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl)methyl]pentanamide",""],["NUQ","5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one","C15 H12 F N3 O","CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3;CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F","InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)","","2019-12-16","2020-02-14","5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one","2020-02-19"],["BTG","ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside","C21 H23 N O8","c3ccc(c1cccc(C(O)=O)c1)c(OC2C(NC(=O)C)C(O)C(C(O2)CO)O)c3;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccccc2c3cccc(c3)C(O)=O;CC(=O)NC1C(C(C(OC1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O","InChI=1S/C21H23NO8/c1-11(24)22-17-19(26)18(25)16(10-23)30-21(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)20(27)28/h2-9,16-19,21,23,25-26H,10H2,1H3,(H,22,24)(H,27,28)/t16-,17-,18+,19-,21-/m1/s1","2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1'-biphenyl]-3-carboxylic acid","2017-08-24","2020-07-17","2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1'-biphenyl]-3-carboxylic acid","2018-02-28"],["NUR","2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide","C18 H15 Cl N2 O","Clc1cccc(c1)CC(=O)N(C)c1cncc2ccccc21;CN(C(=O)Cc1cccc(Cl)c1)c2cncc3ccccc23;CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl","InChI=1S/C18H15ClN2O/c1-21(18(22)10-13-5-4-7-15(19)9-13)17-12-20-11-14-6-2-3-8-16(14)17/h2-9,11-12H,10H2,1H3","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide","2023-11-08"],["BTH","4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID","C30 H31 N5 O5 S","O=C(O)CC(C(=O)C)NC(=O)C(c1sccc1)CCCCNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4;CC(=O)[CH](CC(O)=O)NC(=O)[CH](CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c4sccc4;CC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4","InChI=1S/C30H31N5O5S/c1-19(36)25(17-28(37)38)35-30(40)22(26-10-6-16-41-26)7-4-5-15-31-29(39)20-11-13-21(14-12-20)33-27-18-32-23-8-2-3-9-24(23)34-27/h2-3,6,8-14,16,18,22,25H,4-5,7,15,17H2,1H3,(H,31,39)(H,33,34)(H,35,40)(H,37,38)/t22-,25+/m1/s1","","2004-01-09","2024-09-27","(3S)-4-oxo-3-{[(2S)-6-({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}pentanoic acid",""],["NUT","4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one","C30 H30 Cl2 N4 O4","O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5;COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC","InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1","Nutlin 3a","2012-10-12","2021-03-01","4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one","2013-04-24"],["BTI","5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL","C10 H16 N2 O2 S","O=C1NC2C(SCC2N1)CCCCC=O;O=CCCCC[CH]1SC[CH]2NC(=O)N[CH]12;C1C2C(C(S1)CCCCC=O)NC(=O)N2","InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1","","2005-03-25","2024-09-27","5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanal",""],["BTJ","N-[(2-{2-[(N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide","C54 H67 N7 O11","O=C(N)C(NC(=O)C(NC(=O)COCCOCCNC(=O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)C)Cc4ccc(C(=O)c3ccccc3)cc4)CCCCNC(=O)CCCC#C;C[CH](NC(=O)[CH](O)[CH](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCOCCOCC(=O)N[CH](Cc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC(CCCCNC(=O)CCCC#C)C(N)=O;CC(C(=O)NCCOCCOCC(=O)NC(Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)C(C(Cc3ccc(cc3)OCc4ccccc4)N)O","InChI=1S/C54H67N7O11/c1-3-4-7-19-47(62)57-28-13-12-18-45(51(56)66)61-53(68)46(34-39-20-24-42(25-21-39)49(64)41-16-10-6-11-17-41)60-48(63)36-71-32-31-70-30-29-58-52(67)37(2)59-54(69)50(65)44(55)33-38-22-26-43(27-23-38)72-35-40-14-8-5-9-15-40/h1,5-6,8-11,14-17,20-27,37,44-46,50,65H,4,7,12-13,18-19,28-36,55H2,2H3,(H2,56,66)(H,57,62)(H,58,67)(H,59,69)(H,60,63)(H,61,68)/t37-,44+,45?,46+,50+/m0/s1","","2011-08-29","2011-09-23","N-[(2-{2-[(N-{(2R,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide",""],["NUU","1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one","C17 H19 N3 O S","CC(C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1;CC(C)(C)C(=O)CSc1ncc2CCc3ncccc3c2n1;CC(C)(C)C(=O)CSc1ncc2c(n1)-c3cccnc3CC2","InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3","","2022-04-08","2022-09-30","1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one","2022-10-05"],["BTK","N~6~-butanoyl-L-lysine","C10 H20 N2 O3","O=C(O)C(N)CCCCNC(=O)CCC;CCCC(=O)NCCCC[CH](N)C(O)=O;CCCC(=O)NCCCCC(C(=O)O)N","InChI=1S/C10H20N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1","","2010-05-18","2024-09-27","N~6~-butanoyl-L-lysine",""],["NUW","2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide","C25 H30 N4 O3","CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)c4cc(C)c(O)c(C)c4;Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC","InChI=1S/C25H30N4O3/c1-15-11-20(12-16(2)23(15)31)24-27-21-13-19(25(32)26-4)5-6-22(21)29(24)14-18-7-9-28(10-8-18)17(3)30/h5-6,11-13,18,31H,7-10,14H2,1-4H3,(H,26,32)","1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide","2019-12-16","2021-03-13","2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide","2020-01-15"],["NUX","1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one","C24 H26 Cl2 F2 N2 O3 S","CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N2CCN([CH](C)[CH]2C)c3cccc(Cl)c3;CCC(C(=O)CS(=O)c1ccc(cc1Cl)C(=O)N2CCN(C(C2C)C)c3cccc(c3)Cl)(F)F","InChI=1S/C24H26Cl2F2N2O3S/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3/t15-,16-,34+/m0/s1","1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one","2022-08-23","2023-09-23","1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one","2023-08-23"],["BTL","BETAINE ALDEHYDE","C5 H12 N O","O=CC[N+](C)(C)C;C[N+](C)(C)CC=O;C[N+](C)(C)CC=O","InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1","[FORMYLMETHYL]TRIMETHYL-AMMONIUM; N,N,N-TRIMETHYL AMMONIUM ACETALDEHYDE","2004-08-30","2024-09-27","N,N,N-trimethyl-2-oxoethanaminium",""],["NUY","[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone","C12 H18 N2 O S","N1(C(C)C)CCN(CC1)C(c2cccs2)=O;CC(C)N1CCN(CC1)C(=O)c2sccc2;CC(C)N1CCN(CC1)C(=O)c2cccs2","InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3","","2019-05-28","2019-07-05","[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone","2019-07-10"],["BTM","N-benzyl-N,N-diethylethanaminium","C13 H22 N","c1ccccc1C[N+](CC)(CC)CC;CC[N+](CC)(CC)Cc1ccccc1;CC[N+](CC)(CC)Cc1ccccc1","InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1","","2008-03-06","2011-06-04","N-benzyl-N,N-diethylethanaminium",""],["BTN","BIOTIN","C10 H16 N2 O3 S","O=C1NC2C(SCC2N1)CCCCC(=O)O;OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2","InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1","","1999-07-08","2024-09-27","5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["NUZ","[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone","C21 H19 Cl N4 O4","[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4;Cc1onc(c2ccccc2)c1C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O;Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]","InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3","nucleozin","2014-12-16","2021-03-01","[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone","2015-12-16"],["BTO","4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID","C12 H11 N3 O5","[O-][N+](=O)c1cccc(c1)c2nc(on2)CCCC(=O)O;OC(=O)CCCc1onc(n1)c2cccc(c2)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O","InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)","","2006-10-04","2011-06-04","4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid",""],["NV0","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione","C20 H22 N2 O5","CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O;CCCN1C(=O)c2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C","InChI=1S/C20H22N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h8-9,23H,4-7,10H2,1-3H3","","2023-01-19","2023-12-15","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione","2023-12-20"],["NV1","2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide","C13 H20 N2 O","CC(C)N(C(=O)CN)c1c(C)cccc1C;Cc1cccc(c1N(C(C)C)C(=O)CN)C","InChI=1S/C13H20N2O/c1-9(2)15(12(16)8-14)13-10(3)6-5-7-11(13)4/h5-7,9H,8,14H2,1-4H3","","2017-02-15","2017-07-14","2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide","2017-07-19"],["BTP","2-THIOMETHYL-3-PHENYLPROPANOIC ACID","C10 H12 O2 S","O=C(O)C(CS)Cc1ccccc1;OC(=O)[CH](CS)Cc1ccccc1;c1ccc(cc1)CC(CS)C(=O)O","InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1","","1999-07-08","2011-06-04","(2S)-2-benzyl-3-sulfanylpropanoic acid",""],["NV2","5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one","C23 H30 N4 O4","COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4;CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4","InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3","5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one","2019-12-16","2020-06-17","5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one","2020-01-15"],["BTQ","EPI-BIOTIN","C10 H16 N2 O3 S","O=C1NC2C(SCC2N1)CCCCC(=O)O;OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2","InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1","5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID","2005-11-17","2020-06-17","5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["BTR","6-BROMO-TRYPTOPHAN","C11 H11 Br N2 O2","O=C(O)C(N)Cc2c1ccc(Br)cc1nc2;N[CH](Cc1c[nH]c2cc(Br)ccc12)C(O)=O;c1cc2c(cc1Br)[nH]cc2CC(C(=O)O)N","InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1","","1999-07-08","2024-09-27","6-bromo-L-tryptophan",""],["NV3","1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one","C18 H17 Cl N2 O S","CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn1;CC(C)(C)C(=O)CSc1ncc2ccc3ccc(Cl)cc3c2n1;CC(C)(C)C(=O)CSc1ncc2ccc3ccc(cc3c2n1)Cl","InChI=1S/C18H17ClN2OS/c1-18(2,3)15(22)10-23-17-20-9-12-5-4-11-6-7-13(19)8-14(11)16(12)21-17/h4-9H,10H2,1-3H3","","2022-04-11","2022-09-30","1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one","2022-10-05"],["NV4","(5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one","C24 H23 N3 O7 S","c25c(C(C1C(COC1=O)C2Sc3ncnn3)c4cc(c(c(c4)OC)OC)OC)cc6c(c5)OCO6;COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Sc4[nH]cnn4)c5cc6OCOc6cc25;COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)Sc6[nH]cnn6)OCO4","InChI=1S/C24H23N3O7S/c1-29-17-4-11(5-18(30-2)21(17)31-3)19-12-6-15-16(34-10-33-15)7-13(12)22(35-24-25-9-26-27-24)14-8-32-23(28)20(14)19/h4-7,9,14,19-20,22H,8,10H2,1-3H3,(H,25,26,27)/t14-,19-,20+,22+/m1/s1","","2016-05-06","2017-09-22","(5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one","2017-09-27"],["BTS","3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID","C10 H11 N O3 S3","O=S(=O)(O)CCCSc1nc2ccccc2s1;O[S](=O)(=O)CCCSc1sc2ccccc2n1;c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O","InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)","","2004-03-29","2011-06-04","3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid",""],["NV5","2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide","C23 H18 N6 O2 S","Cn1c2ccccc2c3nnc(SCC(=O)Nc4ccc(Oc5ccccn5)cc4)nc13;Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5","InChI=1S/C23H18N6O2S/c1-29-18-7-3-2-6-17(18)21-22(29)26-23(28-27-21)32-14-19(30)25-15-9-11-16(12-10-15)31-20-8-4-5-13-24-20/h2-13H,14H2,1H3,(H,25,30)","","2019-12-16","2020-05-08","2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide","2020-05-13"],["BTT","BENZENE-1,2,4,5-TETROL","C6 H6 O4","Oc1c(O)cc(O)c(O)c1;Oc1cc(O)c(O)cc1O;c1c(c(cc(c1O)O)O)O","InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H","","2004-07-30","2011-06-04","benzene-1,2,4,5-tetrol",""],["NV6","(2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid","C10 H12 N2 O4","NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)NC(=O)N)O","InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16)/t8-/m0/s1","","2022-08-23","2022-11-11","(2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid","2022-11-16"],["BTU","3-O-alpha-D-glucopyranosyl-beta-D-fructofuranose","C12 H22 O11","O(C1C(O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O;OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(O)CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1","","2011-11-01","2020-07-17","3-O-alpha-D-glucopyranosyl-beta-D-fructofuranose",""],["BTV","4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid","C20 H25 N5 O3 S","c4c(Cn1cc(nn1)CCCCCC3C2NC(NC2CS3)=O)ccc(C(=O)O)c4;OC(=O)c1ccc(Cn2cc(CCCCC[CH]3SC[CH]4NC(=O)N[CH]34)nn2)cc1;c1cc(ccc1Cn2cc(nn2)CCCCCC3C4C(CS3)NC(=O)N4)C(=O)O","InChI=1S/C20H25N5O3S/c26-19(27)14-8-6-13(7-9-14)10-25-11-15(23-24-25)4-2-1-3-5-17-18-16(12-29-17)21-20(28)22-18/h6-9,11,16-18H,1-5,10,12H2,(H,26,27)(H2,21,22,28)/t16-,17-,18-/m0/s1","","2017-08-24","2018-02-02","4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid","2018-02-07"],["NV7","1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine","C10 H16 N2 O3 S","N2(CCN(Cc1occc1)CC2)S(C)(=O)=O;C[S](=O)(=O)N1CCN(CC1)Cc2occc2;CS(=O)(=O)N1CCN(CC1)Cc2ccco2","InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3","","2019-05-28","2019-08-02","1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine","2019-08-07"],["NV8","2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole","C21 H23 N3 O3 S","O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5;c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4","InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2","","2019-12-16","2019-12-27","2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole","2020-01-01"],["BTW","(2S,3R)-2-benzyl-3-sulfanylbutanoic acid","C11 H14 O2 S","O=C(O)C(C(S)C)Cc1ccccc1;C[CH](S)[CH](Cc1ccccc1)C(O)=O;CC(C(Cc1ccccc1)C(=O)O)S","InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1","(2S,3R)-2-benzyl-3-mercaptobutanoic acid","2009-07-09","2024-09-27","(2S,3R)-2-benzyl-3-sulfanylbutanoic acid",""],["NV9","2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide","C19 H15 Cl N2 O","O=C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1;Clc1cccc(CC(=O)Nc2cnccc2c3ccccc3)c1;c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C19H15ClN2O/c20-16-8-4-5-14(11-16)12-19(23)22-18-13-21-10-9-17(18)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide","2023-11-08"],["BTX","((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE","C20 H30 N7 O8 P S","O=C1NC2C(SCC2N1)CCCCCOP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OCCCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OCCCCCC4C5C(CS4)NC(=O)N5)O)O)N","InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1","BIOTINOL-5-AMP","2005-12-05","2021-03-01","5'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}oxy)phosphoryl]adenosine",""],["NVA","NORVALINE","C5 H11 N O2","O=C(O)C(N)CCC;CCC[CH](N)C(O)=O;CCCC(C(=O)O)N","InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1","","1999-07-08","2024-09-27","L-norvaline",""],["BTY","4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one","C6 H7 N5 O","O=C1N=C(n2nc(cc2N1)C)N;Cc1cc2NC(=O)N=C(N)n2n1;Cc1cc2n(n1)C(=NC(=O)N2)N","InChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12)","","2007-09-12","2011-06-04","4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one",""],["NVB","N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide","C24 H23 N3 O5 S","CN[S](=O)(=O)c1ccc(cc1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4;CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC","InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3","","2010-02-17","2011-06-04","N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide",""],["BTZ","N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide","C12 H16 N6 O S2","O=C(c1nc(sc1)c2ncsc2)NCCCCNC(=[N@H])N;NC(=N)NCCCCNC(=O)c1csc(n1)c2cscn2;[H]N=C(N)NCCCCNC(=O)c1csc(n1)c2cscn2","InChI=1S/C12H16N6OS2/c13-12(14)16-4-2-1-3-15-10(19)8-6-21-11(18-8)9-5-20-7-17-9/h5-7H,1-4H2,(H,15,19)(H4,13,14,16)","","2007-09-10","2011-06-04","N-(4-carbamimidamidobutyl)-2,4'-bi-1,3-thiazole-4-carboxamide",""],["NVC","N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide","C19 H25 N3 O4","O=CN(O)CC(C(=O)N3CCCC3c1nc2ccccc2o1)CCCC;CCCC[CH](CN(O)C=O)C(=O)N1CCC[CH]1c2oc3ccccc3n2;CCCCC(CN(C=O)O)C(=O)N1CCCC1c2nc3ccccc3o2","InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1","","2008-08-15","2011-06-04","N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide",""],["BU0","6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide","C27 H25 N5 O2","CC(NC(=O)c1cc2C(=O)[n+]3ccccc3Nc2[n+](Cc2ccccc2)c1N)c1ccccc1;C[CH](NC(=O)c1cc2C(=O)[n+]3ccccc3Nc2[n+](Cc4ccccc4)c1N)c5ccccc5;CC(c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)Nc5cccc[n+]5C3=O","InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)/p+2/t18-/m0/s1","","2019-03-07","2024-05-08","2-amino-1-benzyl-5-oxo-3-{[(1S)-1-phenylethyl]carbamoyl}-5,11-dihydrodipyrido[1,2-a:2',3'-d]pyrimidine-1,6-diium","2020-02-19"],["BU1","1,4-BUTANEDIOL","C4 H10 O2","OCCCCO;OCCCCO;C(CCO)CO","InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","","1999-07-08","2011-06-04","butane-1,4-diol",""],["NVD","N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine","C11 H15 N5","N(C)(C)c2ccc(CNn1cnnc1)cc2;CN(C)c1ccc(CNn2cnnc2)cc1;CN(C)c1ccc(cc1)CNn2cnnc2","InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3","","2019-05-28","2019-08-02","N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine","2019-08-07"],["NVE","diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate","C27 H33 N4 O5 P","O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC;CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4N(C)C(=O)c3c2)cc1)OCC;CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C","InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3","nevirapine phosphonate analogue","2012-12-03","2021-03-01","diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate","2013-02-15"],["BU2","1,3-BUTANEDIOL","C4 H10 O2","OCCC(O)C;C[CH](O)CCO;CC(CCO)O","InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1","","2002-05-16","2024-09-27","(3S)-butane-1,3-diol",""],["NVF","1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one","C16 H18 N2 O S2","CC(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1;CC(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1;CC(C)(C)C(=O)CSc1ncc2c(n1)-c3ccsc3CC2","InChI=1S/C16H18N2OS2/c1-16(2,3)13(19)9-21-15-17-8-10-4-5-12-11(6-7-20-12)14(10)18-15/h6-8H,4-5,9H2,1-3H3","","2022-04-11","2022-09-30","1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one","2022-10-05"],["BU3","(R,R)-2,3-BUTANEDIOL","C4 H10 O2","OC(C)C(O)C;C[CH](O)[CH](C)O;CC(C(C)O)O","InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","","2004-03-17","2011-06-04","(2R,3R)-butane-2,3-diol",""],["NVG","4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE","C19 H22 N6 O5","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)CCc3nc4ccccc4n3;NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)CCc3[nH]c4ccccc4n3)[CH](O)[CH]2O;c1ccc2c(c1)[nH]c(n2)CCC(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","InChI=1S/C19H22N6O5/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29)/t12-,16+,17+,18+/m0/s1","","2007-06-07","2011-06-04","4-amino-1-(5-{[3-(1H-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-L-lyxofuranosyl)pyrimidin-2(1H)-one",""],["BU4","(3R)-butane-1,3-diol","C4 H10 O2","C[CH](O)CCO;CC(CCO)O","InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","","2010-02-18","2011-06-04","(3R)-butane-1,3-diol",""],["BU5","[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol","C11 H9 N3 O S","OCc1csc(n1)c2ccnc3[nH]ccc23;c1c[nH]c2c1c(ccn2)c3nc(cs3)CO","InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)","","2017-10-12","2018-10-26","[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol","2018-10-31"],["NVH","2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one","C19 H13 F3 N4 O5 S2","C[S](=O)(=O)c1cncc(c1)N2C(=O)N(Cc3c(F)cc(F)cc3F)c4ncccc4[S]2(=O)=O;CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F","InChI=1S/C19H13F3N4O5S2/c1-32(28,29)13-7-12(8-23-9-13)26-19(27)25(10-14-15(21)5-11(20)6-16(14)22)18-17(33(26,30)31)3-2-4-24-18/h2-9H,10H2,1H3","","2019-12-16","2019-12-27","2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one","2020-01-01"],["NVI","1-VINYLIMIDAZOLE","C5 H7 N2","C=C[n+]1ccnc1;C=C[n+]1c[nH]cc1;C=C[n+]1cc[nH]c1","InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2/p+1","","1999-07-08","2011-06-04","3-ethenyl-1H-imidazol-3-ium",""],["BU6","5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide","C14 H16 Cl F N4 O2 S","Clc1cc(c(F)cc1)S(=O)(=O)Nc2cn(nc2)C3CCNCC3;Fc1ccc(Cl)cc1[S](=O)(=O)Nc2cnn(c2)C3CCNCC3;c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F","InChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2","","2013-06-25","2014-09-05","5-chloro-2-fluoro-N-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]benzenesulfonamide","2014-07-16"],["NVJ","ethyl benzylcarbamate","C10 H13 N O2","N(Cc1ccccc1)C(=O)OCC;CCOC(=O)NCc1ccccc1;CCOC(=O)NCc1ccccc1","InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)","","2019-05-28","2019-08-02","ethyl benzylcarbamate","2019-08-07"],["BU7","(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C14 H15 N O2 S2","CCCCN2C(=O)/C(=Cc1ccc(cc1)O)SC2=S;CCCCN1C(=S)SC(=Cc2ccc(O)cc2)C1=O;CCCCN1C(=O)C(=Cc2ccc(cc2)O)SC1=S","InChI=1S/C14H15NO2S2/c1-2-3-8-15-13(17)12(19-14(15)18)9-10-4-6-11(16)7-5-10/h4-7,9,16H,2-3,8H2,1H3/b12-9+","","2017-08-25","2018-03-02","(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2018-03-07"],["BU8","1~{H}-imidazo[4,5-b]pyridin-2-amine","C6 H6 N4","Nc1[nH]c2cccnc2n1;c1cc2c(nc1)nc([nH]2)N","InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)","","2017-10-12","2018-10-26","1~{H}-imidazo[4,5-b]pyridin-2-amine","2018-10-31"],["NVK","1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea","C17 H13 N5 O2","Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1;Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4","InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)","","2019-12-16","2019-12-27","1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea","2020-01-01"],["BU9","Meso-2,3-Butanediol","C4 H10 O2","OC(C)C(O)C;C[CH](O)[CH](C)O;CC(C(C)O)O","InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+","","2012-11-20","2014-09-05","(2R,3S)-butane-2,3-diol","2013-10-09"],["NVM","[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone","C11 H14 N2 O S","N1(CCC(C)CC=C1)C(=O)c2cscn2;C[CH]1CCN(C=CC1)C(=O)c2cscn2;CC1CCN(C=CC1)C(=O)c2cscn2","InChI=1S/C11H14N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h2,5,7-9H,3-4,6H2,1H3/t9-/m1/s1","","2019-05-28","2019-08-02","[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone","2019-08-07"],["NVN","1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea","C19 H18 F2 N4 O","CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1;Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C","InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26)","","2019-12-16","2019-12-27","1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea","2020-01-01"],["BUA","butanoic acid","C4 H8 O2","CCCC(O)=O;CCCC(=O)O","InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)","","1999-07-08","2024-09-27","butanoic acid",""],["BUB","1-BUTANE BORONIC ACID","C4 H11 B O2","OB(O)CCCC;CCCCB(O)O;B(CCCC)(O)O","InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3","","1999-07-08","2024-09-27","butylboronic acid",""],["NVO","2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide","C16 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1nncc2ccccc21;Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1;c1ccc2c(c1)cnnc2NC(=O)Cc3cccc(c3)Cl","InChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide","2023-11-08"],["NVP","11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE","C15 H14 N4 O","O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C;Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12;Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4","InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)","NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE","2000-08-15","2020-06-17","11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one",""],["BUC","S,S-BUTYLTHIOCYSTEINE","C7 H15 N O2 S2","O=C(O)C(N)CSSCCCC;CCCCSSC[CH](N)C(O)=O;CCCCSSCC(C(=O)O)N","InChI=1S/C7H15NO2S2/c1-2-3-4-11-12-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1","","1999-07-08","2024-09-27","3-(butyldisulfanyl)-L-alanine",""],["NVQ","~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide","C22 H26 Br N5 O4 S","CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccc(Br)cc3;CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3","InChI=1S/C22H26BrN5O4S/c1-24-13-6-14-25-20-19(27(2)33(31,32)18-7-4-3-5-8-18)21(29)26-22(30)28(20)15-16-9-11-17(23)12-10-16/h3-5,7-12,24-25H,6,13-15H2,1-2H3,(H,26,29,30)","","2019-12-16","2020-08-14","~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide","2020-08-19"],["BUD","(2S,3S)-butane-2,3-diol","C4 H10 O2","OC(C)C(O)C;C[CH](O)[CH](C)O;CC(C(C)O)O","InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1","","2010-09-20","2011-09-16","(2S,3S)-butane-2,3-diol",""],["NVR","(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione","C23 H21 N3 O5","O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2;OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cccc(CCNC2=O)c4)c3;c1cc2cc(c1)OCC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2","InChI=1S/C23H21N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1-","SJ001034732-1 (Cis-form)","2022-04-11","2022-10-07","(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione","2022-10-12"],["BUE","NerylNeryl pyrophosphate","C20 H36 O7 P2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C","InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)","","2017-10-13","2018-02-02","phosphono 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl hydrogen phosphate","2018-02-07"],["NVS","7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one","C15 H13 N O4","N2(C(Oc1cc(O)ccc1C2)=O)c3ccc(cc3)OC;COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O;COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O","InChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3","","2016-02-01","2016-06-24","7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one","2016-06-29"],["BUF","bufalin","C24 H34 O4","O=C1OC=C(C=C1)C4C3(C)CCC2C5(C)CCC(O)CC5CCC2C3(O)CC4;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=COC(=O)C=C5;CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O","InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1","","2014-09-24","2015-01-23","(3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide","2015-01-28"],["BUG","3-methyl-L-valine","C6 H13 N O2","O=C(O)C(N)C(C)(C)C;CC(C)(C)[CH](N)C(O)=O;CC(C)(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1","","1999-10-15","2013-08-05","3-methyl-L-valine",""],["NVU","2-(1,2-benzoxazol-3-yl)ethanoic acid","C9 H7 N O3","O=C(O)Cc2noc1ccccc12;OC(=O)Cc1noc2ccccc12;c1ccc2c(c1)c(no2)CC(=O)O","InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)","","2013-01-28","2014-09-05","1,2-benzoxazol-3-ylacetic acid","2014-01-22"],["NVV","7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","C19 H16 I N3 O2","Ic1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3;c1cc(cc(c1)I)C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O","InChI=1S/C19H16IN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1","","2015-04-08","2016-04-08","7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","2016-04-13"],["BUH","~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide","C19 H15 Cl F7 N5 O2","C[C]1(CO[C](C)(C(=N1)N)C(F)(F)F)c2nc(NC(=O)c3ncc(cc3Cl)C(F)(F)F)ccc2F;CC1(COC(C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F","InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1","","2017-10-13","2018-09-14","~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide","2018-09-19"],["NVW","N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide","C25 H28 N4 O3 S","O=C(NC(C)(C)C)Cc1ccc(cc1)Nc2nc(nc3c2S(=O)(=O)CCC3)c4ccccc4;CC(C)(C)NC(=O)Cc1ccc(Nc2nc(nc3CCC[S](=O)(=O)c23)c4ccccc4)cc1;CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O","InChI=1S/C25H28N4O3S/c1-25(2,3)29-21(30)16-17-11-13-19(14-12-17)26-24-22-20(10-7-15-33(22,31)32)27-23(28-24)18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-16H2,1-3H3,(H,29,30)(H,26,27,28)","","2013-01-30","2013-05-24","N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide","2013-05-29"],["BUI","(3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE","C22 H45 N3 O3","[O-]C(=O)CC(NC(=O)NCCCCCCCCCCCCCC)C[N+](C)(C)C;CCCCCCCCCCCCCCNC(=O)N[CH](CC([O-])=O)C[N+](C)(C)C;CCCCCCCCCCCCCCNC(=O)NC(CC(=O)[O-])C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","ST1326; (R)-N-TETRADECYLCARBAMOYL-AMINOCARNITINE","2006-02-06","2020-05-26","(3R)-3-[(tetradecylcarbamoyl)amino]-4-(trimethylammonio)butanoate",""],["BUJ","(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate","C23 H46 N2 O3","[O-]C(=O)CC(NC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C;CCCCCCCCCCCCCCCC(=O)N[CH](CC([O-])=O)C[N+](C)(C)C;CCCCCCCCCCCCCCCC(=O)NC(CC(=O)[O-])C[N+](C)(C)C","InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1","(3R)-3-(palmitoylamino)-4-(trimethylammonio)butanoate","2007-10-02","2021-03-01","(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate",""],["NVX","7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","C19 H16 Cl N3 O2","Clc1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3;c1cc(cc(c1)Cl)C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O","InChI=1S/C19H16ClN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1","","2015-04-07","2015-11-27","7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one","2015-12-02"],["NVY","1-ethyl-N-(2-fluorophenyl)piperidin-4-amine","C13 H19 F N2","N1(CCC(CC1)Nc2ccccc2F)CC;CCN1CCC(CC1)Nc2ccccc2F;CCN1CCC(CC1)Nc2ccccc2F","InChI=1S/C13H19FN2/c1-2-16-9-7-11(8-10-16)15-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3","","2019-05-28","2019-08-02","1-ethyl-N-(2-fluorophenyl)piperidin-4-amine","2019-08-07"],["BUK","N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE","C27 H42 Br N9 O5 S","Brc1ccc(cc1)C(NC(=O)NC(C(=O)NC(C(=O)NC(C(O)C2SC=CN2)CCCNC(=[N@H])N)C(C)C)CC(=O)N)C;CC(C)[CH](NC(=O)[CH](CC(N)=O)NC(=O)N[CH](C)c1ccc(Br)cc1)C(=O)N[CH](CCCNC(N)=N)[CH](O)[CH]2NC=CS2;[H]N=C(N)NCCCC(C(C1NC=CS1)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)NC(C)c2ccc(cc2)Br","InChI=1S/C27H42BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21-22,25,32,39H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+,22+,25+/m1/s1","N-((R)-1-(4-BROMOPHENYL)ETHYL)UREA-ASN-VAL-ARG-ALPHA-KETOTHIAZOLE","2005-06-09","2024-09-27","N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-L-asparaginyl-N-{(1S)-4-carbamimidamido-1-[(S)-(2S)-2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}-L-valinamide",""],["NVZ","5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid","C12 H18 N2 O4 S","O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)NC12;CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O;CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O","InChI=1S/C12H18N2O4S/c1-7(15)14-8-6-19-9(11(8)13-12(14)18)4-2-3-5-10(16)17/h8-9,11H,2-6H2,1H3,(H,13,18)(H,16,17)/t8-,9-,11-/m0/s1","","2011-08-31","2011-12-23","5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["BUL","BULGECIN A","C16 H29 N3 O14 S2","O=S(=O)(O)CCNC(=O)C2NC(C(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C2)CO;CC(=O)N[CH]1[CH](O)[CH](O[S](O)(=O)=O)[CH](CO)O[CH]1O[CH]2C[CH](N[CH]2CO)C(=O)NCC[S](O)(=O)=O;CC(=O)NC1C(C(C(OC1OC2CC(NC2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O","InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1","","1999-07-08","2011-06-04","2-{[(4S,5R)-4-{[2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranosyl]oxy}-5-(hydroxymethyl)-L-prolyl]amino}ethanesulfonic acid",""],["NW0","3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide","C15 H15 Cl N2 O","O=C(Nc1cnccc1C)CCc1cccc(Cl)c1;Cc1ccncc1NC(=O)CCc2cccc(Cl)c2;Cc1ccncc1NC(=O)CCc2cccc(c2)Cl","InChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)","","2023-08-16","2023-11-03","3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["BUM","2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE","C7 H16 N2 O","O=C(NC)C(N)C(C)(C)C;CNC(=O)[CH](N)C(C)(C)C;CC(C)(C)C(C(=O)NC)N","InChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)/t5-/m1/s1","","2001-08-10","2011-06-04","N,3-dimethyl-L-valinamide",""],["BUN","(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","C15 H12 O5","O=C(c1ccc(O)cc1O)C=Cc2cc(O)c(O)cc2;Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(O)c2;c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)O)O","InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+","2',3,4,4'-Tetrahydroxychalcone; Butein","2014-10-20","2020-05-26","(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","2015-10-21"],["NW1","6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE","C11 H17 N5 O2","O=Nc2c(OCC1CCCCC1)nc(nc2N)N;Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1;C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O","InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)","","2000-05-11","2011-06-04","6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine",""],["BUO","butane-2,3-dione","C4 H6 O2","CC(=O)C(C)=O;CC(=O)C(=O)C","InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3","","2017-07-21","2017-11-17","butane-2,3-dione","2017-11-22"],["NW2","2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid","C27 H29 N O5","COc1cccc(C(O)=O)c1OCCc2cc(cc(c2)c3ccc4OC[CH](N)c4c3)C(C)C;CC(C)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)CCOc4c(cccc4OC)C(=O)O","InChI=1S/C27H29NO5/c1-16(2)19-11-17(9-10-32-26-21(27(29)30)5-4-6-25(26)31-3)12-20(13-19)18-7-8-24-22(14-18)23(28)15-33-24/h4-8,11-14,16,23H,9-10,15,28H2,1-3H3,(H,29,30)/t23-/m1/s1","","2019-12-20","2020-07-03","2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid","2020-07-08"],["NW3","(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C16 H21 N3 O4 S","O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1;CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C=O;CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=O)O)C","InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1","","2022-04-11","2024-09-27","(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2022-05-25"],["BUP","5-bromouridine 5'-(tetrahydrogen triphosphate)","C9 H14 Br N2 O15 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(Br)=C1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Br","InChI=1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2010-06-08","2011-06-10","5-bromouridine 5'-(tetrahydrogen triphosphate)",""],["NW4","3-cyclohexyl-1-(morpholin-4-yl)propan-1-one","C13 H23 N O2","N1(CCOCC1)C(=O)CCC2CCCCC2;O=C(CCC1CCCCC1)N2CCOCC2;C1CCC(CC1)CCC(=O)N2CCOCC2","InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2","","2019-05-28","2019-08-02","3-cyclohexyl-1-(morpholin-4-yl)propan-1-one","2019-08-07"],["BUQ","4-HYDROXY-2-BUTANONE","C4 H8 O2","O=C(C)CCO;CC(=O)CCO;CC(=O)CCO","InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","","1999-10-19","2011-06-04","4-hydroxybutan-2-one",""],["BUR","1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea","C23 H22 F3 N3 O3","FC(F)(F)Oc1ccc(cc1)NC(=O)Nc3cccnc3Oc2c(cccc2)C(C)(C)C;CC(C)(C)c1ccccc1Oc2ncccc2NC(=O)Nc3ccc(OC(F)(F)F)cc3;CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F","InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)","","2015-01-22","2015-03-27","1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea","2015-04-01"],["NW5","2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid","C27 H26 N2 O4","CC(C)(C#N)c1cc(COc2ccccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3;CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)COc4ccccc4CC(=O)O","InChI=1S/C27H26N2O4/c1-27(2,16-28)21-10-17(14-32-24-6-4-3-5-19(24)13-26(30)31)9-20(11-21)18-7-8-25-22(12-18)23(29)15-33-25/h3-12,23H,13-15,29H2,1-2H3,(H,30,31)/t23-/m1/s1","","2019-12-20","2020-07-03","2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid","2020-07-08"],["NW6","nocodazole","C14 H11 N3 O3 S","COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3;COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3","InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)","","2022-08-24","2022-08-26","methyl ~{N}-(5-thiophen-2-ylcarbonyl-1~{H}-benzimidazol-2-yl)carbamate","2022-08-31"],["BUT","BUTYL GROUP","C4 H10","CCCC;CCCC;CCCC","InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3","","1999-07-08","2008-10-14","butane",""],["NW7","3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide","C11 H13 N3 O3","n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC;CCc1noc(C)c1C(=O)Nc2cc(C)on2;CCc1c(c(on1)C)C(=O)Nc2cc(on2)C","InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15)","","2019-05-28","2019-08-02","3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide","2019-08-07"],["BUU","(2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid","C16 H16 N2 O6","N[CH](Cc1ccc(O)c(OCc2ccccc2[N+]([O-])=O)c1)C(O)=O;c1ccc(c(c1)COc2cc(ccc2O)CC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C16H16N2O6/c17-12(16(20)21)7-10-5-6-14(19)15(8-10)24-9-11-3-1-2-4-13(11)18(22)23/h1-6,8,12,19H,7,9,17H2,(H,20,21)/t12-/m0/s1","","2016-06-04","2017-09-08","(2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid","2017-09-13"],["NW8","8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine","C19 H13 Cl N2","Clc1ccc(cc1)c2cccn3cc(nc23)c4ccccc4;c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl","InChI=1S/C19H13ClN2/c20-16-10-8-14(9-11-16)17-7-4-12-22-13-18(21-19(17)22)15-5-2-1-3-6-15/h1-13H","","2019-12-20","2021-01-08","8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine","2021-01-13"],["BUV","4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid","C28 H23 Cl N6 O4","OC(=O)c1ccc(NC(=O)[CH]2[CH](CCN2C(=O)C=Cc3cc(Cl)ccc3n4cnnn4)c5ccccc5)cc1;c1ccc(cc1)C2CCN(C2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C28H23ClN6O4/c29-21-9-12-24(35-17-30-32-33-35)20(16-21)8-13-25(36)34-15-14-23(18-4-2-1-3-5-18)26(34)27(37)31-22-10-6-19(7-11-22)28(38)39/h1-13,16-17,23,26H,14-15H2,(H,31,37)(H,38,39)/b13-8+/t23-,26+/m1/s1","","2017-08-25","2017-11-03","4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid","2017-11-08"],["NW9","6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione","C22 H26 N2 O6","CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13)[CH](O)C4[CH](O)CCC[CH]4O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccco3)C(C4C(CCCC4O)O)O","InChI=1S/C22H26N2O6/c1-12-14(20(27)19-16(25)6-3-7-17(19)26)8-9-15-18(12)21(28)24(22(29)23(15)2)11-13-5-4-10-30-13/h4-5,8-10,16-17,19-20,25-27H,3,6-7,11H2,1-2H3/t16-,17-,20+/m1/s1","","2023-01-19","2023-12-15","6-[(~{R})-[(2~{R},6~{R})-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione","2023-12-20"],["BUW","R-ethopropazine","C19 H24 N2 S","CCN(CC)[CH](C)CN1c2ccccc2Sc3ccccc13;CCN(CC)C(C)CN1c2ccccc2Sc3c1cccc3","InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1","","2017-10-14","2017-12-08","(2~{R})-~{N},~{N}-diethyl-1-phenothiazin-10-yl-propan-2-amine","2017-12-13"],["BUX","7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione","C13 H6 Cl2 N2 O4","ClC1=CC2=C(C(=O)O1)C(=O)N=C(Nc3cccc(Cl)c3)O2;c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","InChI=1S/C13H6Cl2N2O4/c14-6-2-1-3-7(4-6)16-13-17-11(18)10-8(20-13)5-9(15)21-12(10)19/h1-5H,(H,16,17,18)","","2019-03-07","2020-06-26","7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione","2020-07-01"],["NWA","4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM","C8 H20 N O2","OC(O)(C)CCC[N+](C)(C)C;CC(O)(O)CCC[N+](C)(C)C;CC(CCC[N+](C)(C)C)(O)O","InChI=1S/C8H20NO2/c1-8(10,11)6-5-7-9(2,3)4/h10-11H,5-7H2,1-4H3/q+1","","2005-10-27","2024-09-27","4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium",""],["NWB","N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM","C8 H18 N O","O=C(C)CCC[N+](C)(C)C;CC(=O)CCC[N+](C)(C)C;CC(=O)CCC[N+](C)(C)C","InChI=1/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1","","2005-10-27","2008-10-14","N,N,N-trimethyl-4-oxopentan-1-aminium",""],["BUY","4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid","C27 H21 Cl N6 O4","OC(=O)c1ccc(NC(=O)[CH]2N(CCc3ccccc23)C(=O)C=Cc4cc(Cl)ccc4n5cnnn5)cc1;c1ccc2c(c1)CCN(C2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)C=Cc4cc(ccc4n5cnnn5)Cl","InChI=1S/C27H21ClN6O4/c28-20-8-11-23(34-16-29-31-32-34)19(15-20)7-12-24(35)33-14-13-17-3-1-2-4-22(17)25(33)26(36)30-21-9-5-18(6-10-21)27(37)38/h1-12,15-16,25H,13-14H2,(H,30,36)(H,37,38)/b12-7+/t25-/m0/s1","","2017-08-25","2017-11-03","4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid","2017-11-08"],["NWD","3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine","C7 H8 N4 O6","O=C(O)C(N)CN1C=C(C(=O)NC1=O)[N+]([O-])=O;N[CH](CN1C=C(C(=O)NC1=O)[N+]([O-])=O)C(O)=O;C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1","nitrowillardiine","2011-05-05","2020-06-17","3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",""],["BV0","6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide","C24 H25 N6 O3","CC1=CC=CN2C(=O)c3cc(C(=O)NCc4cccnc4)c(N)[n+](C[CH]5CCCO5)c3N=C12;CC1=CC=CN2C1=Nc3c(cc(c([n+]3CC4CCCO4)N)C(=O)NCc5cccnc5)C2=O","InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+1/t17-/m1/s1","","2019-03-08","2020-02-14","6-azanyl-11-methyl-2-oxidanylidene-7-[[(2~{R})-oxolan-2-yl]methyl]-~{N}-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide","2020-02-19"],["NWE","2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid","C24 H23 N O3","OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3;c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4","InChI=1S/C24H23NO3/c26-24(27)14-21-5-1-2-7-23(21)28-16-17-4-3-6-19(12-17)20-9-8-18-10-11-25-15-22(18)13-20/h1-9,12-13,25H,10-11,14-16H2,(H,26,27)","","2019-12-20","2020-07-03","2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid","2020-07-08"],["BV1","[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE","C50 H72 N10 O20","[O-][N+](=O)c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC=4C(=O)C(=O)C=4NCCCN5CCN(CC5)CCCNC(=O)c7cc(OC6OC(C(O)C(O)C6O)CO)cc([N+]([O-])=O)c7;OC[CH]1O[CH](Oc2cc(cc(c2)[N+]([O-])=O)C(=O)NCCCN3CCN(CCCNC4=C(NCCCN5CCN(CCCNC(=O)c6cc(OC7OC(CO)C(O)C(O)C7O)cc(c6)[N+]([O-])=O)CC5)C(=O)C4=O)CC3)[CH](O)[CH](O)[CH]1O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)OC7C(C(C(C(O7)CO)O)O)O)[N+](=O)[O-]","InChI=1S/C50H72N10O20/c61-27-35-39(63)43(67)45(69)49(79-35)77-33-23-29(21-31(25-33)59(73)74)47(71)53-7-3-11-57-17-13-55(14-18-57)9-1-5-51-37-38(42(66)41(37)65)52-6-2-10-56-15-19-58(20-16-56)12-4-8-54-48(72)30-22-32(60(75)76)26-34(24-30)78-50-46(70)44(68)40(64)36(28-62)80-50/h21-26,35-36,39-40,43-46,49-52,61-64,67-70H,1-20,27-28H2,(H,53,71)(H,54,72)/t35-,36?,39+,40?,43+,44?,45-,46?,49+,50?/m1/s1","BV1","2003-11-07","2021-03-01","3-(alpha-D-galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(hexopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide",""],["BV2","1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE","C51 H79 N11 O22","[O-][N+](=O)c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(N)COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c6cc(OC5OC(C(O)C(O)C5O)CO)cc([N+]([O-])=O)c6;NC(COC(=O)NCCCN1CCN(CCCNC(=O)c2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc(c2)[N+]([O-])=O)CC1)COC(=O)NCCCN4CCN(CCCNC(=O)c5cc(OC6OC(CO)C(O)C(O)C6O)cc(c5)[N+]([O-])=O)CC4;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)OC6C(C(C(C(O6)CO)O)O)O)[N+](=O)[O-])N","InChI=1S/C51H79N11O22/c52-33(29-79-50(73)55-7-3-11-59-17-13-57(14-18-59)9-1-5-53-46(71)31-21-34(61(75)76)25-36(23-31)81-48-44(69)42(67)40(65)38(27-63)83-48)30-80-51(74)56-8-4-12-60-19-15-58(16-20-60)10-2-6-54-47(72)32-22-35(62(77)78)26-37(24-32)82-49-45(70)43(68)41(66)39(28-64)84-49/h21-26,33,38-45,48-49,63-70H,1-20,27-30,52H2,(H,53,71)(H,54,72)(H,55,73)(H,56,74)/t33?,38-,39?,40+,41?,42+,43?,44-,45?,48+,49?/m1/s1","BV2","2003-11-24","2021-03-01","2-amino-3-[({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}carbamoyl)oxy]propyl {3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}carbamate (non-preferred name)",""],["NWF","5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide","C29 H35 Cl N4 O4 S3","Clc1sc(cc1)C(=O)NC[CH]2NC(=O)CCSCc3ccc(CSCC4CN(C4)C(=O)[CH]5CCC[N](C5)C2=O)cc3;c1cc2ccc1CSCCC(=O)NC(C(=O)N3CCCC(C3)C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5)Cl","InChI=1S/C29H35ClN4O4S3/c30-25-8-7-24(41-25)27(36)31-12-23-29(38)33-10-1-2-22(15-33)28(37)34-13-21(14-34)18-40-17-20-5-3-19(4-6-20)16-39-11-9-26(35)32-23/h3-8,21-23H,1-2,9-18H2,(H,31,36)(H,32,35)/t22-,23+/m0/s1","","2022-08-24","2024-03-01","5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide","2024-03-06"],["NWG","5-[(diaminomethylidene)amino]-2-oxopentanoic acid","C6 H11 N3 O3","C(=O)(C(O)=O)CCCN=C(/N)N;NC(N)=NCCCC(=O)C(O)=O;C(CC(=O)C(=O)O)CN=C(N)N","InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)","","2019-05-29","2020-05-22","5-[(diaminomethylidene)amino]-2-oxopentanoic acid","2020-05-27"],["BV3","1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU\nTENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE","C63 H91 N15 O26","O=[N+]([O-])c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC=4C(=O)C(=O)C=4NCCNC(=O)OCC(N)COC(=O)NCCNC=5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCCNC(=O)c8cc(OC7OC(C(O)C(O)C7O)CO)cc([N+]([O-])=O)c8;NC(COC(=O)NCCNC1=C(NCCCN2CCN(CCCNC(=O)c3cc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)cc(c3)[N+]([O-])=O)CC2)C(=O)C1=O)COC(=O)NCCNC5=C(NCCCN6CCN(CCCNC(=O)c7cc(OC8OC(CO)C(O)C(O)C8O)cc(c7)[N+]([O-])=O)CC6)C(=O)C5=O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)OC8C(C(C(C(O8)CO)O)O)O)[N+](=O)[O-])N","InChI=1S/C63H91N15O26/c64-37(33-99-62(93)71-11-9-67-46-44(50(83)52(46)85)65-5-1-13-73-17-21-75(22-18-73)15-3-7-69-58(91)35-25-38(77(95)96)29-40(27-35)101-60-56(89)54(87)48(81)42(31-79)103-60)34-100-63(94)72-12-10-68-47-45(51(84)53(47)86)66-6-2-14-74-19-23-76(24-20-74)16-4-8-70-59(92)36-26-39(78(97)98)30-41(28-36)102-61-57(90)55(88)49(82)43(32-80)104-61/h25-30,37,42-43,48-49,54-57,60-61,65-68,79-82,87-90H,1-24,31-34,64H2,(H,69,91)(H,70,92)(H,71,93)(H,72,94)/t37?,42-,43?,48+,49?,54+,55?,56-,57?,60+,61?/m1/s1","BV3","2003-11-24","2020-06-17","2-amino-3-{[(2-{[2-({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamate (non-preferred name)",""],["NWH","N-[(2S)-heptan-2-yl]formamide","C8 H17 N O","CCCCCC(C)NC=O;CCCCC[CH](C)NC=O;CCCCCC(C)NC=O","InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1","(S)-N-1-methylhexylformamide","2017-05-02","2020-06-17","N-[(2S)-heptan-2-yl]formamide","2017-05-10"],["BV4","1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE","C79 H123 N15 O32","O=C4C(NCCCN1CCN(CC1)CCCNC(=O)c3cc([N+]([O-])=O)cc(OC2OC(CO)C(O)C(O)C2O)c3)=C(C4=O)NCCCOCCOCCOCCCNC(=O)OCC(N)COC(=O)NCCCOCCOCCOCCCNC=5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCCNC(=O)c8cc(OC7OC(C(O)C(O)C7O)CO)cc([N+]([O-])=O)c8;NC(COC(=O)NCCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCCNC(=O)c3cc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)cc(c3)[N+]([O-])=O)CC2)C(=O)C1=O)COC(=O)NCCCOCCOCCOCCCNC5=C(NCCCN6CCN(CCCNC(=O)c7cc(OC8OC(CO)C(O)C(O)C8O)cc(c7)[N+]([O-])=O)CC6)C(=O)C5=O;c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)OC8C(C(C(C(O8)CO)O)O)O)[N+](=O)[O-])N","InChI=1S/C79H123N15O32/c80-53(49-121-78(109)87-15-7-31-117-35-39-119-37-33-115-29-5-13-83-62-60(66(99)68(62)101)81-9-1-17-89-21-25-91(26-22-89)19-3-11-85-74(107)51-41-54(93(111)112)45-56(43-51)123-76-72(105)70(103)64(97)58(47-95)125-76)50-122-79(110)88-16-8-32-118-36-40-120-38-34-116-30-6-14-84-63-61(67(100)69(63)102)82-10-2-18-90-23-27-92(28-24-90)20-4-12-86-75(108)52-42-55(94(113)114)46-57(44-52)124-77-73(106)71(104)65(98)59(48-96)126-77/h41-46,53,58-59,64-65,70-73,76-77,81-84,95-98,103-106H,1-40,47-50,80H2,(H,85,107)(H,86,108)(H,87,109)(H,88,110)/t53?,58-,59?,64+,65?,70+,71?,72-,73?,76+,77?/m1/s1","BV4","2003-11-25","2021-03-01","2-amino-19-{[2-({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}-5-oxo-4,10,13,16-tetraoxa-6-azanonadec-1-yl (3-{2-[2-(3-{[2-({3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}propoxy)ethoxy]ethoxy}propyl)carbamate (non-preferred name)",""],["BV5","3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE","C15 H19 F3 N2 O4 S","FC(F)(F)Oc1ccccc1S(=O)(=O)NC(=O)CCC2CCNCC2;FC(F)(F)Oc1ccccc1[S](=O)(=O)NC(=O)CCC2CCNCC2;c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2","InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)","","2013-06-25","2014-07-10","3-(piperidin-4-yl)-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}propanamide","2014-07-08"],["NWI","2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide","C16 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2cccnc21;Clc1cccc(CC(=O)Nc2cncc3cccnc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3","InChI=1S/C16H12ClN3O/c17-13-5-1-3-11(7-13)8-15(21)20-14-10-18-9-12-4-2-6-19-16(12)14/h1-7,9-10H,8H2,(H,20,21)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide","2023-11-08"],["BV6","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol","C18 H25 N O12 S","OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O;c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)SC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C18H25NO12S/c20-5-9-11(22)13(24)14(25)18(31-9)32-16-12(23)10(6-21)30-17(15(16)26)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10+,11-,12+,13+,14-,15+,16+,17-,18+/m1/s1","","2019-03-10","2020-08-14","(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol","2020-08-19"],["NWJ","2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C18 H16 N6 O","O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4;Nc1nc2[nH]c(c3cccc(C=O)c3)c(C#N)c2c(n1)N4CCCC4;c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O","InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)","","2014-01-15","2024-09-27","2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","2015-01-21"],["BV7","3-(4-piperidyl)propanoic acid","C8 H15 N O2","O=C(O)CCC1CCNCC1;OC(=O)CCC1CCNCC1;C1CNCCC1CCC(=O)O","InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11)","","2013-06-25","2014-07-10","3-(piperidin-4-yl)propanoic acid","2014-07-08"],["NWK","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid","C20 H20 Cl2 N4 O5 S","Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl;Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl","InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27)","","2020-01-02","2020-12-25","2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid","2020-12-30"],["BV8","3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid","C47 H63 N11 O19 P2 S","CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN=C(NCCC(O)=O)S[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O)NC(=O)OCc7ccccc7;CC(C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CCCCN=C(NCCC(=O)O)SC3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7","InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(66)31(18-27-19-51-29-13-7-6-12-28(27)29)56-42(65)30(57-47(67)72-20-26-10-4-3-5-11-26)14-8-9-16-49-46(50-17-15-34(59)60)80-45-39(64)37(62)33(76-45)22-74-79(70,71)77-78(68,69)73-21-32-36(61)38(63)44(75-32)58-24-54-35-40(48)52-23-53-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,51,61-64H,8-9,14-18,20-22H2,1-2H3,(H,49,50)(H,55,66)(H,56,65)(H,57,67)(H,59,60)(H,68,69)(H,70,71)(H2,48,52,53)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+/m0/s1","","2017-10-15","2017-10-27","3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid","2017-11-01"],["NWL","6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione","C13 H16 N4 O2","O=C1C(=C(N)N(C(=O)N1)Cc2ccccc2)NCC;CCNC1=C(N)N(Cc2ccccc2)C(=O)NC1=O;CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N","InChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19)","","2012-07-26","2012-10-26","6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione","2012-10-26"],["BV9","4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide","C16 H14 N4 O","Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O;Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N","InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)","","2019-03-13","2020-02-07","4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide","2020-02-12"],["NWM","(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate","C32 H51 N O8","O=CN(C)CCC(C)C(OC(=O)C)C(C(=O)CCC(C)C(O)C(C)C(OC(=O)CC)CCOCc1ccccc1)C;CCC(=O)O[CH](CCOCc1ccccc1)[CH](C)[CH](O)[CH](C)CCC(=O)[CH](C)[CH](OC(C)=O)[CH](C)CCN(C)C=O;CCC(=O)OC(CCOCc1ccccc1)C(C)C(C(C)CCC(=O)C(C)C(C(C)CCN(C)C=O)OC(=O)C)O","InChI=1S/C32H51NO8/c1-8-30(37)41-29(17-19-39-20-27-12-10-9-11-13-27)25(5)31(38)22(2)14-15-28(36)24(4)32(40-26(6)35)23(3)16-18-33(7)21-34/h9-13,21-25,29,31-32,38H,8,14-20H2,1-7H3/t22-,23+,24-,25+,29+,31+,32+/m0/s1","","2013-04-23","2014-09-26","(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate","2014-10-01"],["NWN","hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron","C3 H4 Fe N2 Ni O","[Ni+2][H-][Fe](C#N)(C#N)CO;[Ni++][H-][Fe](CO)(C#N)C#N;[H-]([Fe](CO)(C#N)C#N)[Ni+2]","InChI=1S/2CN.CH3O.Fe.Ni.H/c3*1-2;;;/h;;2H,1H2;;;/q;;;;+2;-1","","2014-08-08","2015-01-16","hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron","2015-01-21"],["BVA","TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE","C7 H9 N O5 V","O[V](O)(O)ONC(=O)c1ccccc1;c1ccc(cc1)C2=O[V](ON2)(O)(O)O","InChI=1S/C7H6NO2.3H2O.V/c9-7(8-10)6-4-2-1-3-5-6;;;;/h1-5H,(H-,8,9,10);3*1H2;/q-1;;;;+4/p-3","","2007-04-19","2023-09-23","2,2,2-tris(oxidanyl)-5-phenyl-1$l^{3},3-dioxa-4-aza-2$l^{5}-vanadacyclopent-5-ene",""],["NWO","(1S,3S)-3-methylcyclohexan-1-ol","C7 H14 O","CC1CC(O)CCC1;C[CH]1CCC[CH](O)C1;CC1CCCC(C1)O","InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1","","2022-04-12","2022-05-13","(1S,3S)-3-methylcyclohexan-1-ol","2022-05-18"],["BVB","5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol","C14 H11 Br O2","Brc2ccc(/C=C/c1cc(O)cc(O)c1)cc2;Oc1cc(O)cc(C=Cc2ccc(Br)cc2)c1;c1cc(ccc1C=Cc2cc(cc(c2)O)O)Br","InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+","","2013-09-20","2013-11-15","5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol","2013-11-20"],["NWP","(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide","C9 H20 N2 O3 S","N1(S(N(C(C)C)C)(=O)=O)CCOC(C)C1;CC(C)N(C)[S](=O)(=O)N1CCO[CH](C)C1;CC1CN(CCO1)S(=O)(=O)N(C)C(C)C","InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1","","2019-05-29","2019-07-05","(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide","2019-07-10"],["BVC","1-THIEN-3-YLMETHANAMINE","C5 H7 N S","s1ccc(c1)CN;NCc1cscc1;c1cscc1CN","InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2","3-THIENYLMETHYLAMINE","2005-11-10","2021-03-01","1-thiophen-3-ylmethanamine",""],["NWQ","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide","C11 H14 N6 O4","CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1","","2020-01-02","2020-02-28","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide","2020-03-04"],["BVD","5-BROMOVINYLDEOXYURIDINE","C11 H13 Br N2 O5","Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO;OC[CH]1O[CH](C[CH]1O)N2C=C(C=CBr)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O","InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1","","1999-07-08","2011-06-04","5-[(E)-2-bromoethenyl]-2'-deoxyuridine",""],["BVE","4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide","C31 H27 N2 O2 S","N[S](=O)(=O)c1ccc(CC[n+]2c(cc(cc2c3ccccc3)c4ccccc4)c5ccccc5)cc1;c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5","InChI=1S/C31H27N2O2S/c32-36(34,35)29-18-16-24(17-19-29)20-21-33-30(26-12-6-2-7-13-26)22-28(25-10-4-1-5-11-25)23-31(33)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H2,32,34,35)/q+1","","2017-10-16","2017-12-08","4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide","2017-12-13"],["NWR","(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione","C30 H36 Cl N3 O3 S2","Clc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=O)[CH]4CCC[N](C4)C2=O)cc3)cc1;c1cc2ccc1CSCCC(=O)NC(C(=O)N3CCCC(C3)C(=O)NCC=CCSC2)Cc4ccc(cc4)Cl","InChI=1S/C30H36ClN3O3S2/c31-26-11-9-22(10-12-26)18-27-30(37)34-15-3-4-25(19-34)29(36)32-14-1-2-16-38-20-23-5-7-24(8-6-23)21-39-17-13-28(35)33-27/h1-2,5-12,25,27H,3-4,13-21H2,(H,32,36)(H,33,35)/b2-1+/t25-,27-/m0/s1","","2022-08-24","2023-11-24","(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione","2023-11-29"],["NWS","Moco-AMP","C20 H26 Mo N10 O15 P2 S2","NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C5=C(C6C(O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N","InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15;;;;/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33);;2*1H2;/q;+4;;;/p-4/t5-,6-,7+,10-,11-,18-,19-;;;;/m1..../s1","","2018-12-03","2021-02-12","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate","2021-02-17"],["BVF","4-METHYLPYRIDIN-2-AMINE","C6 H8 N2","n1ccc(cc1N)C;Cc1ccnc(N)c1;Cc1ccnc(c1)N","InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)","2-AMINO-4-PICOLINE","2005-11-08","2020-06-17","4-methylpyridin-2-amine",""],["NWT","N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide","C39 H52 F2 N6 O8","CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O;CCCCC=CC(=O)NC(Cc1cc(cc(c1)F)F)C(=O)NC2COC(=O)C3CC(CN3C(=O)C(NC(=O)C4CCCCN4C(=O)C5CCCN5C2=O)C)C","InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1","","2020-01-06","2020-03-20","","2020-03-25"],["BVG","1H-IMIDAZOL-2-YLMETHANOL","C4 H6 N2 O","OCc1nccn1;OCc1[nH]ccn1;c1cnc([nH]1)CO","InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)","","2005-11-08","2011-06-04","1H-imidazol-2-ylmethanol",""],["BVH","(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol","C8 H14 O2","C1(CCC(C=C)CC1O)O;O[CH]1CC[CH](C[CH]1O)C=C;C=CC1CCC(C(C1)O)O","InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1","","2016-11-11","2024-09-27","(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol","2017-10-11"],["NWV","N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide","C10 H11 N3 O2","N(Cc1cn(C)nc1)C(=O)c2ccco2;Cn1cc(CNC(=O)c2occc2)cn1;Cn1cc(cn1)CNC(=O)c2ccco2","InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)","","2019-05-29","2019-07-05","N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide","2019-07-10"],["NWW","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide","C10 H12 N6 O4","NC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)N)O)O)N","InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1","","2020-01-02","2020-02-28","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide","2020-03-04"],["BVI","8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine","C20 H23 N5 O","Cc1n(ncc1Nc1nc2c(cccc2cn1)C1CC1)C1CCOCC1;Cc1n(ncc1Nc2ncc3cccc(C4CC4)c3n2)C5CCOCC5;Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5","InChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24)","","2021-11-18","2022-01-07","8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine","2022-01-12"],["BVJ","methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate","C28 H23 Cl F N7 O4","COC(=O)Nc1ccc(NC(=O)[CH]2N(CCc3ccccc23)C(=O)C=Cc4c(F)c(Cl)ccc4n5cnnn5)cc1;COC(=O)Nc1ccc(cc1)NC(=O)C2c3ccccc3CCN2C(=O)C=Cc4c(ccc(c4F)Cl)n5cnnn5","InChI=1S/C28H23ClFN7O4/c1-41-28(40)33-19-8-6-18(7-9-19)32-27(39)26-20-5-3-2-4-17(20)14-15-36(26)24(38)13-10-21-23(37-16-31-34-35-37)12-11-22(29)25(21)30/h2-13,16,26H,14-15H2,1H3,(H,32,39)(H,33,40)/b13-10+/t26-/m0/s1","","2017-08-25","2017-11-03","methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate","2017-11-08"],["NWX","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C12 H16 N5 O13 P3","Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C#N;c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N","InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1","Remdesivir triphosphate","2022-04-13","2022-11-25","[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2022-11-30"],["NWY","N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide","C12 H16 N2 O","n2c(C)ccc(CNC(=O)C1CCC1)c2;Cc1ccc(CNC(=O)C2CCC2)cn1;Cc1ccc(cn1)CNC(=O)C2CCC2","InChI=1S/C12H16N2O/c1-9-5-6-10(7-13-9)8-14-12(15)11-3-2-4-11/h5-7,11H,2-4,8H2,1H3,(H,14,15)","","2019-05-29","2019-07-05","N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide","2019-07-10"],["BVK","2-[4-(aminomethyl)phenyl]ethanoic acid","C9 H11 N O2","NCc1ccc(CC(O)=O)cc1;c1cc(ccc1CC(=O)O)CN","InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)","","2017-10-16","2024-09-27","2-[4-(aminomethyl)phenyl]ethanoic acid","2018-02-28"],["BVL","(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","C21 H22 O4","O=C(c1c(O)cc(OC)c(c1)CC=C(/C)C)C=Cc2ccc(O)cc2;COc1cc(O)c(cc1CC=C(C)C)C(=O)C=Cc2ccc(O)cc2;CC(=CCc1cc(c(cc1OC)O)C(=O)C=Cc2ccc(cc2)O)C","InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+","(E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","2007-10-24","2021-03-01","(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one",""],["NWZ","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide","C15 H21 N7 O4","Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NC4CCNCC4;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NC4CCNCC4)O)O)N","InChI=1S/C15H21N7O4/c16-12-8-13(19-5-18-12)22(6-20-8)15-10(24)9(23)11(26-15)14(25)21-7-1-3-17-4-2-7/h5-7,9-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t9-,10+,11-,15+/m0/s1","","2020-01-02","2020-02-28","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide","2020-03-04"],["NX0","1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one","C10 H12 N2 O2","CCC(=O)N1CCOc2ncccc12;CCC(=O)N1CCOc2c1cccn2","InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3","1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)","2022-08-24","2024-09-27","1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one","2022-09-28"],["BVM","4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid","C36 H34 Cl N7 O7","CCOC(=O)[CH]1CCCN(C1)C(=O)c2cccc3[CH](N(CCc23)C(=O)C=Cc4cc(Cl)ccc4n5cnnn5)C(=O)Nc6ccc(cc6)C(O)=O;CCOC(=O)C1CCCN(C1)C(=O)c2cccc3c2CCN(C3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)C=Cc5cc(ccc5n6cnnn6)Cl","InChI=1S/C36H34ClN7O7/c1-2-51-36(50)24-5-4-17-42(20-24)34(47)29-7-3-6-28-27(29)16-18-43(32(28)33(46)39-26-12-8-22(9-13-26)35(48)49)31(45)15-10-23-19-25(37)11-14-30(23)44-21-38-40-41-44/h3,6-15,19,21,24,32H,2,4-5,16-18,20H2,1H3,(H,39,46)(H,48,49)/b15-10+/t24-,32-/m0/s1","","2017-08-25","2017-11-03","4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid","2017-11-08"],["BVN","2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate","C22 H27 N3 O5","CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(cc2)[N+]([O-])=O)cc1;CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-]","InChI=1S/C22H27N3O5/c1-3-24(4-2)15-16-30-22(27)18-5-9-19(10-6-18)23-14-13-21(26)17-7-11-20(12-8-17)25(28)29/h5-12,23H,3-4,13-16H2,1-2H3","","2017-10-17","2019-10-17","2-(diethylamino)ethyl 4-[[3-(4-nitrophenyl)-3-oxidanylidene-propyl]amino]benzoate","2018-10-31"],["NX1","3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid","C12 H8 Br Cl O2 S2","O=C(O)c2sccc2SCc1cc(Br)c(Cl)cc1;OC(=O)c1sccc1SCc2ccc(Cl)c(Br)c2;c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl","InChI=1S/C12H8BrClO2S2/c13-8-5-7(1-2-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)","","2011-01-21","2011-12-23","3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid",""],["NX2","3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide","C13 H11 Cl2 N O3 S3","O=S(=O)(NC(=O)c2sccc2SCc1cc(Cl)c(Cl)cc1)C;C[S](=O)(=O)NC(=O)c1sccc1SCc2ccc(Cl)c(Cl)c2;CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl","InChI=1S/C13H11Cl2NO3S3/c1-22(18,19)16-13(17)12-11(4-5-20-12)21-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,17)","","2011-01-21","2011-12-23","3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide",""],["BVO","3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione","C23 H13 F2 N3 O3","OCc1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34;c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O","InChI=1S/C23H13F2N3O3/c24-17-9-14(10-18(25)19(17)13-5-3-4-12(8-13)11-29)28-21-20(26-27-28)22(30)15-6-1-2-7-16(15)23(21)31/h1-10,29H,11H2","","2019-03-14","2020-03-13","3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione","2020-03-18"],["BVP","(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C11 H14 Br N2 O8 P","Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=CBr)C(=O)NC2=O;C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)COP(=O)(O)O)O","InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1","BVDU-MP","2003-03-31","2020-06-17","5-[(E)-2-bromoethenyl]-2'-deoxyuridine 5'-(dihydrogen phosphate)",""],["NX3","N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide","C18 H14 Cl2 N2 O3 S3","O=S(=O)(c1cc(N)ccc1)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2;Nc1cccc(c1)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3;c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N","InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23)","","2011-01-24","2011-12-23","N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide",""],["NX4","5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid","C20 H15 Cl2 N O6 S3","O=C(O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2;COc1ccc(cc1C(O)=O)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3;COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl","InChI=1S/C20H15Cl2NO6S3/c1-29-16-5-3-12(9-13(16)20(25)26)32(27,28)23-19(24)18-17(6-7-30-18)31-10-11-2-4-14(21)15(22)8-11/h2-9H,10H2,1H3,(H,23,24)(H,25,26)","","2011-01-24","2011-12-23","5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid",""],["BVQ","NORPSEUDO-B12","C57 H82 Co N16 O14 P","CC1=C2[CH](CCC(N)=O)C(C)(C)C3=CC4=[N+]5C(=C(C)C6=[N+]7[C](C)([CH]8[CH](CC(N)=O)[C](C)(CCC(=O)NCCO[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11ncnc(N)c%10%11)C1=[N+]8[Co++]57[N]23)[C](C)(CC(N)=O)[CH]6CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O;CC1=C2C(C(C3=CC4=[N+]5C(=C(C6=[N+]7[Co+2]5(N32)[N+]8=C1C(C(C8C7(C(C6CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)OC9C(OC(C9O)n1cnc2c1c(ncn2)N)CO)C)C(C4CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N","InChI=1S/C57H83N16O14P.Co/c1-26-42-29(10-13-36(59)76)53(3,4)34(70-42)20-32-28(9-12-35(58)75)55(6,21-39(62)79)48(69-32)27(2)43-30(11-14-37(60)77)56(7,22-40(63)80)57(8,72-43)49-31(19-38(61)78)54(5,47(26)71-49)16-15-41(81)65-17-18-85-88(83,84)87-46-33(23-74)86-52(45(46)82)73-25-68-51-44(73)50(64)66-24-67-51;/h20,24-25,28-31,33,45-46,49,52,74,82H,9-19,21-23H2,1-8H3,(H17,58,59,60,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,83,84);/q;+6/p-1/t28-,29-,30-,31+,33-,45-,46-,49-,52+,54-,55+,56+,57+;/m1./s1","","2014-06-25","2014-10-10","","2014-10-15"],["BVR","[4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron","C27 H36 B N2 O9 S","CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[B](O)=O;B(=O)(c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(C(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)O","InChI=1S/C27H36BN2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)28(33)34)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)39-25-17-38-26-22(25)12-13-37-26/h3-11,18,22-26,31,33H,12-17H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1","","2018-01-26","2018-11-30","[4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron","2018-12-05"],["NX5","2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid","C14 H10 Cl2 O2 S","Clc1ccc(cc1Cl)CSc2ccccc2C(=O)O;OC(=O)c1ccccc1SCc2ccc(Cl)c(Cl)c2;c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl","InChI=1S/C14H10Cl2O2S/c15-11-6-5-9(7-12(11)16)8-19-13-4-2-1-3-10(13)14(17)18/h1-7H,8H2,(H,17,18)","","2011-01-24","2011-12-23","2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid",""],["NX6","N-[(benzyloxy)carbonyl]-L-aspartic acid","C12 H13 N O6","O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O;OC(=O)C[CH](NC(=O)OCc1ccccc1)C(O)=O;c1ccc(cc1)COC(=O)NC(CC(=O)O)C(=O)O","InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1","","2011-01-26","2024-09-27","N-[(benzyloxy)carbonyl]-L-aspartic acid",""],["BVS","(2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid","C11 H10 O4","C(/C(c1ccc(C)cc1)=O)=C(C(O)=O)O;Cc1ccc(cc1)C(=O)C=C(O)C(O)=O;Cc1ccc(cc1)C(=O)C=C(C(=O)O)O","InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)9(12)6-10(13)11(14)15/h2-6,13H,1H3,(H,14,15)/b10-6-","","2017-08-28","2018-08-24","(2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid","2018-08-29"],["NX7","(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone","C11 H11 F2 N O","c1(cccc(c1C(=O)N2CCCC2)F)F;Fc1cccc(F)c1C(=O)N2CCCC2;c1cc(c(c(c1)F)C(=O)N2CCCC2)F","InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2","","2019-05-29","2019-07-05","(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone","2019-07-10"],["BVT","3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid","C47 H63 N11 O19 P2 S","CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(NCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8;CC(C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CCCCNC3(OC4C(C(OC4S3)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8","InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(65)31(18-27-19-49-29-13-7-6-12-28(27)29)56-42(64)30(57-46(66)71-20-26-10-4-3-5-11-26)14-8-9-16-53-47(54-17-15-34(59)60)76-39-37(62)33(75-45(39)80-47)22-73-79(69,70)77-78(67,68)72-21-32-36(61)38(63)44(74-32)58-24-52-35-40(48)50-23-51-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,49,53-54,61-63H,8-9,14-18,20-22H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,48,50,51)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+,47-/m0/s1","","2017-10-18","2017-10-27","3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid","2017-11-01"],["BVU","3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione","C22 H10 F3 N3 O2","Fc1ccccc1c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34;c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F","InChI=1S/C22H10F3N3O2/c23-15-8-4-3-7-14(15)18-16(24)9-11(10-17(18)25)28-20-19(26-27-28)21(29)12-5-1-2-6-13(12)22(20)30/h1-10H","","2019-03-14","2020-03-13","3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione","2020-03-18"],["NX8","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide","C16 H23 N7 O4","Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC4CCNCC4;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCC4CCNCC4)O)O)N","InChI=1S/C16H23N7O4/c17-13-9-14(21-6-20-13)23(7-22-9)16-11(25)10(24)12(27-16)15(26)19-5-8-1-3-18-4-2-8/h6-8,10-12,16,18,24-25H,1-5H2,(H,19,26)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1","","2020-01-02","2020-02-28","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide","2020-03-04"],["NX9","2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide","C11 H10 Cl N3 O","O=C(Cc1cccc(Cl)c1)Nc1c[NH]nc1;Clc1cccc(CC(=O)Nc2c[nH]nc2)c1;c1cc(cc(c1)Cl)CC(=O)Nc2c[nH]nc2","InChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)5-11(16)15-10-6-13-14-7-10/h1-4,6-7H,5H2,(H,13,14)(H,15,16)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide","2023-11-08"],["BVV","amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium","C21 H21 N7 O","c1cc(ccc1/C(N)=[NH2+])COc2nc3c(cc2)nc(n3)c4ccc(cc4)C(=[NH2+])N;NC(=[NH2+])c1ccc(COc2ccc3nc([nH]c3n2)c4ccc(cc4)C(N)=[NH2+])cc1;c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N","InChI=1S/C21H19N7O/c22-18(23)13-3-1-12(2-4-13)11-29-17-10-9-16-21(27-17)28-20(26-16)15-7-5-14(6-8-15)19(24)25/h1-10H,11H2,(H3,22,23)(H3,24,25)(H,26,27,28)/p+2","","2017-08-28","2018-01-26","amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium","2018-01-31"],["BVX","3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","C33 H36 N4 O6","CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,13-15,35H,2,7,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13?,27-14-,28-15-","Biliverdine IX alpha, bound form","2020-07-02","2021-03-13","3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid","2020-10-28"],["NXA","N-CARBOXYALANINE","C4 H7 N O4","O=C(O)C(NC(=O)O)C;C[CH](NC(O)=O)C(O)=O;CC(C(=O)O)NC(=O)O","InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1","","2002-11-26","2024-09-27","N-carboxy-L-alanine",""],["NXB","(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol","C11 H16 N6 O3","N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O;c1nc(c2c(n1)n(cn2)CC3C(C(C(CO3)N)O)O)N","InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1","","2020-01-02","2020-02-28","(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol","2020-03-04"],["BVY","(3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","C19 H24 F N5 O S","C2(NC1CSC(C1N2)CCCCCc4cn(Cc3cccc(c3)F)nn4)=O;Fc1cccc(Cn2cc(CCCCC[CH]3SC[CH]4NC(=O)N[CH]34)nn2)c1;c1cc(cc(c1)F)Cn2cc(nn2)CCCCCC3C4C(CS3)NC(=O)N4","InChI=1S/C19H24FN5OS/c20-14-6-4-5-13(9-14)10-25-11-15(23-24-25)7-2-1-3-8-17-18-16(12-27-17)21-19(26)22-18/h4-6,9,11,16-18H,1-3,7-8,10,12H2,(H2,21,22,26)/t16-,17-,18-/m0/s1","","2017-08-28","2018-02-02","(3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","2018-02-07"],["NXC","(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)","C23 H33 Cl N3 O5 P Pt","CCO[P](=O)(CCCc1cc2CN(C)(C)|[Pt]3(Cl)|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O;CCOP(=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-]","InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5;;/h9-12,14-15H,6-8,13,17-18H2,1-5H3;1H;/q;;+1/p-1/t32-;;/m0../s1","ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate","2008-09-12","2025-11-11","",""],["BVZ","[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide","C21 H25 B N3 O5 S","O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34;[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O","InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1","","2017-10-19","2024-09-27","[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide","2018-10-31"],["BW0","[[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C20 H27 N3 O13 P2","COC(=O)c1ccc(CON=C2C=CN([CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N2C)cc1;CN1C(=NOCc2ccc(cc2)C(=O)OC)C=CN(C1=O)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O","InChI=1S/C20H27N3O13P2/c1-22-15(21-34-9-12-3-5-13(6-4-12)19(26)33-2)7-8-23(20(22)27)18-17(25)16(24)14(36-18)10-35-38(31,32)11-37(28,29)30/h3-8,14,16-18,24-25H,9-11H2,1-2H3,(H,31,32)(H2,28,29,30)/b21-15+/t14-,16-,17-,18-/m1/s1","","2021-12-09","2022-08-22","[[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2022-02-16"],["NXD","methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid","C14 H23 N3 O10","O=C(N)C(=O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C;CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CNC(=O)C(N)=O)C(O)=O;CC(=O)NC1C(CC(OC1C(C(CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O","InChI=1S/C14H23N3O10/c1-5(18)17-8-6(19)3-14(26-2,13(24)25)27-10(8)9(21)7(20)4-16-12(23)11(15)22/h6-10,19-21H,3-4H2,1-2H3,(H2,15,22)(H,16,23)(H,17,18)(H,24,25)/t6-,7+,8+,9+,10+,14+/m0/s1","METHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID;\nALPHA METHYL -9-(AMINOOXALYL-AMINO)-9-DEOXYNEU5AC; OXAMIDO-NEU5AC; methyl\n5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl\n5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl\n5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-galacto-non-2-ulosidonic acid","2006-02-28","2020-07-17","methyl 5-(acetylamino)-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic\nacid",""],["NXE","~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide","C6 H5 F3 N2 O2","CC(=O)Nc1onc(c1)C(F)(F)F;CC(=O)Nc1cc(no1)C(F)(F)F","InChI=1S/C6H5F3N2O2/c1-3(12)10-5-2-4(11-13-5)6(7,8)9/h2H,1H3,(H,10,12)","","2020-01-02","2020-01-10","~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide","2020-01-15"],["BW1","~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine","C23 H22 N4 O","Nc1ccc2c(NCc3occ(CC4CC4)c3)nc(nc2c1)c5ccccc5;c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N","InChI=1S/C23H22N4O/c24-18-8-9-20-21(12-18)26-22(17-4-2-1-3-5-17)27-23(20)25-13-19-11-16(14-28-19)10-15-6-7-15/h1-5,8-9,11-12,14-15H,6-7,10,13,24H2,(H,25,26,27)","","2017-02-14","2017-09-15","~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine","2017-09-20"],["NXF","(2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile","C26 H22 N6 O2 S","NCC1=NNC(=O)c2c1cc(cc2C1CCCO1)c1cnn(C)c1c1sc2ccccc2c1C#N;Cn1ncc(c2cc([CH]3CCCO3)c4C(=O)NN=C(CN)c4c2)c1c5sc6ccccc6c5C#N;Cn1c(c(cn1)c2cc(c3c(c2)C(=NNC3=O)CN)C4CCCO4)c5c(c6ccccc6s5)C#N","InChI=1S/C26H22N6O2S/c1-32-24(25-18(11-27)15-5-2-3-7-22(15)35-25)19(13-29-32)14-9-16-20(12-28)30-31-26(33)23(16)17(10-14)21-6-4-8-34-21/h2-3,5,7,9-10,13,21H,4,6,8,12,28H2,1H3,(H,31,33)/t21-/m1/s1","","2022-04-13","2022-08-12","(2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile","2022-08-17"],["BW2","N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID","C20 H19 N5 O8 S","O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O;NC1=Nc2ccc(N[S](=O)(=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2C(=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N","InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)","BW2315U89UC","2003-06-12","2020-06-17","N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid",""],["BW3","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol","C8 H16 O6","CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1","Ethyl alpha-D-glucopyranoside","2022-03-29","2022-04-01","(2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol","2022-04-06"],["NXG","2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL","C19 H27 I N2 O2","Ic1c(O)c(cc(C#CCO)c1)CN2CCC(N(CC)CC)CC2;CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCO;CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO","InChI=1S/C19H27IN2O2/c1-3-22(4-2)17-7-9-21(10-8-17)14-16-12-15(6-5-11-23)13-18(20)19(16)24/h12-13,17,23-24H,3-4,7-11,14H2,1-2H3","","2012-01-30","2014-09-05","2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol",""],["NXH","1-propan-2-yl-3-pyridin-4-yl-urea","C9 H13 N3 O","CC(C)NC(=O)Nc1ccncc1;CC(C)NC(=O)Nc1ccncc1","InChI=1S/C9H13N3O/c1-7(2)11-9(13)12-8-3-5-10-6-4-8/h3-7H,1-2H3,(H2,10,11,12,13)","","2020-01-02","2020-01-10","1-propan-2-yl-3-pyridin-4-yl-urea","2020-01-15"],["BW4","methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","C29 H37 Cl N6 O5","c1(nc(c(c(n1)c2c(C)onc2C)C)N4CC3(CCN(C(OC)=O)CC3)C4)c5c(ccc(c5)OCC(O)CNC)Cl;CNC[CH](O)COc1ccc(Cl)c(c1)c2nc(N3CC4(CCN(CC4)C(=O)OC)C3)c(C)c(n2)c5c(C)onc5C;Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OCC(CNC)O)c5c(noc5C)C","InChI=1S/C29H37ClN6O5/c1-17-25(24-18(2)34-41-19(24)3)32-26(22-12-21(6-7-23(22)30)40-14-20(37)13-31-4)33-27(17)36-15-29(16-36)8-10-35(11-9-29)28(38)39-5/h6-7,12,20,31,37H,8-11,13-16H2,1-5H3/t20-/m1/s1","","2017-08-28","2018-02-02","methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate","2018-02-07"],["NXI","~{N}-(1~{H}-indazol-5-ylmethyl)propanamide","C11 H13 N3 O","CCC(=O)NCc1ccc2[nH]ncc2c1;CCC(=O)NCc1ccc2c(c1)cn[nH]2","InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)","N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)","2022-08-24","2024-09-27","~{N}-(1~{H}-indazol-5-ylmethyl)propanamide","2022-09-28"],["BW5","(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid","C13 H21 N O2","N[CH](CC12CC3CC(CC(C3)C1)C2)C(O)=O;C1C2CC3CC1CC(C2)(C3)CC(C(=O)O)N","InChI=1S/C13H21NO2/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16)/t8-,9+,10-,11-,13-/m0/s1","","2017-10-19","2024-09-27","(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid","2018-08-08"],["BW6","(3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one","C17 H19 N3 O","C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[nH]ccc4;CC1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C","InChI=1S/C17H19N3O/c1-11-17(21)19(2)15-8-5-12(14-4-3-9-18-14)10-16(15)20(11)13-6-7-13/h3-5,8-11,13,18H,6-7H2,1-2H3/t11-/m1/s1","","2019-03-14","2020-02-21","(3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one","2020-02-26"],["NXJ","(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide","C12 H16 N2 O","n2cccc(N(C)C(=O)C1C(C1)(C)C)c2;CN(C(=O)[CH]1CC1(C)C)c2cccnc2;CC1(CC1C(=O)N(C)c2cccnc2)C","InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1","","2019-05-29","2019-07-05","(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide","2019-07-10"],["BW7","(2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol","C22 H29 N5 O3","C1COCCN1c2cc(nc3c2cnn3C(C)C)c4cccc(c4)OCC(O)CN;CC(C)n1ncc2c(cc(nc12)c3cccc(OC[CH](O)CN)c3)N4CCOCC4;CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OCC(CN)O)N4CCOCC4","InChI=1S/C22H29N5O3/c1-15(2)27-22-19(13-24-27)21(26-6-8-29-9-7-26)11-20(25-22)16-4-3-5-18(10-16)30-14-17(28)12-23/h3-5,10-11,13,15,17,28H,6-9,12,14,23H2,1-2H3/t17-/m1/s1","","2017-08-28","2018-02-02","(2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol","2018-02-07"],["NXK","2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid","C16 H15 B F N O6","OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1;B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O","InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21)","2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid","2020-01-06","2021-03-01","2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid","2021-01-27"],["NXL","(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide","C7 H13 N3 O6 S","O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O;NC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O;C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)N","InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1","avibactam, bound form; NXL104, bound form","2012-01-25","2024-09-27","(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide",""],["BW8","2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid","C22 H18 F2 N4 O5 S","CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(SCC(O)=O)c(F)c3)c(F)c2)ccn1;CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O","InChI=1S/C22H18F2N4O5S/c1-25-21(31)18-10-14(6-7-26-18)33-13-3-4-17(15(23)9-13)28-22(32)27-12-2-5-19(16(24)8-12)34-11-20(29)30/h2-10H,11H2,1H3,(H,25,31)(H,29,30)(H2,27,28,32)","","2017-10-20","2018-02-16","2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid","2018-02-21"],["NXM","4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine","C11 H17 N3 O","n2c(CC1CCNCC1)onc2C3CC3;C1CC(CCN1)Cc2onc(n2)C3CC3;C1CC1c2nc(on2)CC3CCNCC3","InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2","","2019-05-29","2019-07-05","4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine","2019-07-10"],["BW9","Chromium Protoporphyrin IX","C34 H32 Cr N4 O4","CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Cr][N]5C(=CC6=NC(=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C","InChI=1S/C34H34N4O4.Cr/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2019-03-19","2020-03-13","","2020-03-18"],["BWA","N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea","C22 H18 N4 O3","c1(ccc(cc1)CN3C(=O)c2ccccc2C3=O)NC(=O)NCc4cnccc4;O=C(NCc1cccnc1)Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2;c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4","InChI=1S/C22H18N4O3/c27-20-18-5-1-2-6-19(18)21(28)26(20)14-15-7-9-17(10-8-15)25-22(29)24-13-16-4-3-11-23-12-16/h1-12H,13-14H2,(H2,24,25,29)","","2017-08-29","2018-09-07","N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea","2018-09-12"],["NXN","2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE","C10 H11 Cl2 N O2 S","Clc1cc(Cl)ccc1OCC(=O)NCCS;SCCNC(=O)COc1ccc(Cl)cc1Cl;c1cc(c(cc1Cl)Cl)OCC(=O)NCCS","InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)","DICA","2004-02-27","2024-09-27","2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide",""],["BWB","(2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid","C8 H15 N O7","N[CH](COC1OCC(O)C(O)C1O)C(O)=O;C1C(C(C(C(O1)OCC(C(=O)O)N)O)O)O","InChI=1S/C8H15NO7/c9-3(7(13)14)1-15-8-6(12)5(11)4(10)2-16-8/h3-6,8,10-12H,1-2,9H2,(H,13,14)/t3-,4?,5?,6?,8?/m0/s1","","2017-10-20","2020-07-03","(2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid","2018-10-31"],["NXO","8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide","C19 H14 F N O3 S","Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34;c1ccc(c(c1)c2ccc(cc2)c3cccc4c3OS(=O)(=O)NC4)F","InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2","","2023-01-19","2024-02-02","8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide","2024-02-07"],["NXP","N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE","C18 H18 N6 O","O=C(c2c1ccccc1nc2)Nc3ccc(C(=NNC(=[N@H])N)C)cc3;CC(=NNC(N)=N)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1;CC(=NNC(=N)N)c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3","InChI=1S/C18H18N6O/c1-11(23-24-18(19)20)12-6-8-13(9-7-12)22-17(25)15-10-21-16-5-3-2-4-14(15)16/h2-10,21H,1H3,(H,22,25)(H4,19,20,24)/b23-11+","","2011-03-16","2011-11-11","N-{4-[(1E)-N-carbamimidoylethanehydrazonoyl]phenyl}-1H-indole-3-carboxamide",""],["BWC","5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide","C22 H25 F N4 O2","Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN4CCCC4;Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4cc(ccc4NC3=O)F","InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-","","2019-03-20","2020-08-28","5-[(~{Z})-(5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]-2,4-dimethyl-~{N}-(2-pyrrolidin-1-ylethyl)-1~{H}-pyrrole-3-carboxamide","2020-09-02"],["BWD","2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID","C7 H8 Br N3 O4","O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O;N[CH](CN1C=C(Br)C(=O)NC1=O)C(O)=O;C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Br","InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1","BROMO-WILLARDIINE","2002-09-19","2020-06-17","3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",""],["NXQ","2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid","C17 H17 F N O5 S","C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1;C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O","InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1","","2020-01-07","2021-01-22","2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)sulfanuidyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid","2021-01-27"],["BWE","(2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","C24 H22 F N3 O5 S2","CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2scc(c2)c3cc(cc(F)c3OC)C#N;CCS(=O)(=O)c1ccc(cc1)C(C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C","InChI=1S/C24H22FN3O5S2/c1-4-35(31,32)18-7-5-16(6-8-18)22(27-14(2)29)24(30)28-21-11-17(13-34-21)19-9-15(12-26)10-20(25)23(19)33-3/h5-11,13,22H,4H2,1-3H3,(H,27,29)(H,28,30)/t22-/m1/s1","","2017-10-23","2018-08-17","(2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide","2018-08-22"],["NXR","N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide","C32 H34 N4 O2 S","O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1;O=C(NCCCc1cccnc1)[CH](Cc2ccccc2)SC[CH](Cc3ccccc3)NC(=O)c4cccnc4;c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3)NC(=O)c4cccnc4","InChI=1S/C32H34N4O2S/c37-31(28-16-9-18-34-23-28)36-29(20-25-10-3-1-4-11-25)24-39-30(21-26-12-5-2-6-13-26)32(38)35-19-8-15-27-14-7-17-33-22-27/h1-7,9-14,16-18,22-23,29-30H,8,15,19-21,24H2,(H,35,38)(H,36,37)/t29-,30+/m0/s1","","2022-04-13","2022-07-22","N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide","2022-07-27"],["NXS","[1-(pyrimidin-2-yl)piperidin-4-yl]methanol","C10 H15 N3 O","N2(c1ncccn1)CCC(CC2)CO;OCC1CCN(CC1)c2ncccn2;c1cnc(nc1)N2CCC(CC2)CO","InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2","","2019-05-29","2019-07-05","[1-(pyrimidin-2-yl)piperidin-4-yl]methanol","2019-07-10"],["BWF","(2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid","C8 H11 N O5","OC(=O)C=C(O)[CH]1CCCN1C(O)=O;C1CC(N(C1)C(=O)O)C(=CC(=O)O)O","InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1","","2019-03-20","2024-09-27","(2~{S})-2-[(~{Z})-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid","2020-12-30"],["NXT","4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid","C9 H10 O3","OC(=O)c1coc2CCCCc12;c1c(c2c(o1)CCCC2)C(=O)O","InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)","","2020-01-07","2024-09-27","4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid","2020-11-25"],["BWG","N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine","C11 H16 N2 O6 S","O1C(CO)C(O)C(O)C(O)C1Nc2ncc(s2)C(O)C;CC(=O)c1sc(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)nc1;CC(=O)c1cnc(s1)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C11H18N2O6S/c1-4(15)6-2-12-11(20-6)13-10-9(18)8(17)7(16)5(3-14)19-10/h2,4-5,7-10,14-18H,3H2,1H3,(H,12,13)/t4-,5-,7-,8+,9+,10+/m1/s1","N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine;\nN-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-D-mannosylamine; N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-mannosylamine","2013-01-28","2020-07-17","N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine","2013-07-10"],["NXU","(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C19 H22 N2 O5 S","O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](CO)NC(=O)c2c(O)ccc3ccccc23;CC1(C(NC(S1)C(CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C","InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1","","2014-09-12","2024-09-27","(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2014-09-24"],["BWH","albicidin","C44 H38 N6 O12","COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[CH](CC#N)NC(=O)c4ccc(NC(=O)C(C)=Cc5ccc(O)cc5)cc4)cc3)c(OC)c2O)C(O)=O;CC(=Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC(CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O","InChI=1S/C44H38N6O12/c1-23(22-24-4-14-29(51)15-5-24)39(54)46-27-10-6-26(7-11-27)41(56)50-34(20-21-45)43(58)47-28-12-8-25(9-13-28)40(55)48-32-18-16-30(35(52)37(32)61-2)42(57)49-33-19-17-31(44(59)60)36(53)38(33)62-3/h4-19,22,34,51-53H,20H2,1-3H3,(H,46,54)(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,59,60)/b23-22+/t34-/m0/s1","","2017-10-25","2018-08-10","4-[[4-[[4-[[(2~{S})-3-cyano-2-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]propanoyl]amino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","2018-08-15"],["NXV","2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid","C18 H14 Cl2 O3 S","Clc1ccc(cc1Cl)CSc2cc(C#CCCO)ccc2C(=O)O;OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1;c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl","InChI=1S/C18H14Cl2O3S/c19-15-7-5-13(9-16(15)20)11-24-17-10-12(3-1-2-8-21)4-6-14(17)18(22)23/h4-7,9-10,21H,2,8,11H2,(H,22,23)","","2011-01-19","2011-12-23","2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid",""],["BWI","1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile","C21 H22 N6 O","N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C;Cc1n(ncc1Nc2ncc3cccc(c3n2)C4(CC4)C#N)C5CCOCC5;Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N","InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26)","","2021-11-18","2022-01-07","1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile","2022-01-12"],["BWJ","{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)","C7 H9 Cl2 N O6 P2","c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1Cl;O[P](O)(=O)C(Nc1cc(Cl)cc(Cl)c1)[P](O)(O)=O;c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)","","2017-08-30","2019-01-11","{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)","2019-01-16"],["NXW","2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid","C27 H25 Cl2 N3 O3 S","Clc1ccc(cc1Cl)CSc3cc(C#Cc2cccc(NC(=O)CNCCNC)c2)ccc3C(=O)O;CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(C(O)=O)c(SCc3ccc(Cl)c(Cl)c3)c2;CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O","InChI=1S/C27H25Cl2N3O3S/c1-30-11-12-31-16-26(33)32-21-4-2-3-18(13-21)5-6-19-7-9-22(27(34)35)25(15-19)36-17-20-8-10-23(28)24(29)14-20/h2-4,7-10,13-15,30-31H,11-12,16-17H2,1H3,(H,32,33)(H,34,35)","","2011-01-19","2011-12-23","2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid",""],["NXX","1-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium","C21 H27 N6 O15 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O)[CH]3O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O","InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1","","2007-09-04","2011-06-04","1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridin-1-ium-3-carboxylic acid",""],["BWK","[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium","C4 H10 N6 O","Cn1nn[nH+]c1CC(=O)N[NH3+];Cn1c([nH+]nn1)CC(=O)N[NH3+]","InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2","","2017-10-27","2019-02-15","[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium","2019-02-20"],["NXY","3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid","C12 H8 Cl2 O2 S2","O=C(O)c2sccc2SCc1cc(Cl)c(Cl)cc1;OC(=O)c1sccc1SCc2ccc(Cl)c(Cl)c2;c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl","InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)","","2011-01-20","2011-12-23","3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid",""],["BWL","(2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid","C28 H34 F3 N3 O4","CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O;CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)C=C(C3CCCN3C(=O)O)O","InChI=1S/C28H34F3N3O4/c1-3-32(4-2)16-17-33(26(36)18-25(35)24-6-5-15-34(24)27(37)38)19-20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(29,30)31/h7-14,18,24,35H,3-6,15-17,19H2,1-2H3,(H,37,38)/b25-18-/t24-/m0/s1","","2019-03-20","2024-09-27","(2~{S})-2-[(~{Z})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid","2020-12-30"],["BWM","N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide","C13 H16 N4 O","c2c(c(n1c(nnc1C)C)ccc2)CNC(=O)C;CC(=O)NCc1ccccc1n2c(C)nnc2C;Cc1nnc(n1c2ccccc2CNC(=O)C)C","InChI=1S/C13H16N4O/c1-9-15-16-10(2)17(9)13-7-5-4-6-12(13)8-14-11(3)18/h4-7H,8H2,1-3H3,(H,14,18)","","2017-08-31","2017-09-22","N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide","2017-09-27"],["NXZ","1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one","C19 H23 N5 O","O=C4N(C3CN(c2ncnc(c1ccccc1)c2)CC3N)CCCC4;N[CH]1CN(C[CH]1N2CCCCC2=O)c3cc(ncn3)c4ccccc4;c1ccc(cc1)c2cc(ncn2)N3CC(C(C3)N4CCCCC4=O)N","InChI=1S/C19H23N5O/c20-15-11-23(12-17(15)24-9-5-4-8-19(24)25)18-10-16(21-13-22-18)14-6-2-1-3-7-14/h1-3,6-7,10,13,15,17H,4-5,8-9,11-12,20H2/t15-,17-/m0/s1","","2011-01-17","2012-01-20","1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one",""],["BWO","(2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid","C30 H35 F6 N3 O5","CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O;CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)C=C(C3CCCN3C(=O)O)O","InChI=1S/C30H35F6N3O5/c1-3-37(4-2)14-15-38(27(41)17-25(40)24-6-5-13-39(24)28(42)43)18-20-7-9-21(10-8-20)23-12-11-22(30(34,35)36)16-26(23)44-19-29(31,32)33/h7-12,16-17,24,40H,3-6,13-15,18-19H2,1-2H3,(H,42,43)/b25-17+/t24-/m0/s1","","2019-03-20","2024-09-27","(2~{S})-2-[(~{E})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid","2020-12-30"],["NY0","1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one","C11 H12 N2 O2","CCC(=O)N1CC(=Nc2ccccc12)O;CCC(=O)N1CC(=Nc2c1cccc2)O","InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)","4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)","2022-08-24","2024-09-27","1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one","2022-09-28"],["NY1","2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one","C10 H14 N2 O2 S","n2c(CC(N1CCOCC1)=O)csc2C;Cc1scc(CC(=O)N2CCOCC2)n1;Cc1nc(cs1)CC(=O)N2CCOCC2","InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3","","2019-05-29","2019-07-05","2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one","2019-07-10"],["BWP","(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL","C21 H24 Br N5 O2","Brc1cnc(nc1Nc2ccccc2)Nc3ccc(OCC(O)CN(C)C)cc3;CN(C)C[CH](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1;CN(C)CC(COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O","InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m0/s1","","2002-06-11","2011-06-04","(2S)-1-(4-{[5-bromo-4-(phenylamino)pyrimidin-2-yl]amino}phenoxy)-3-(dimethylamino)propan-2-ol",""],["NY2","3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one","C9 H5 Br N6 O3","O=[N+](c1c(nnc1)C2=CN3C(N=C2)=C(Br)C(=O)N3)[O-];[O-][N+](=O)c1c[nH]nc1C2=CN3NC(=O)C(=C3N=C2)Br;c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-]","InChI=1S/C9H5BrN6O3/c10-6-8-11-1-4(3-15(8)14-9(6)17)7-5(16(18)19)2-12-13-7/h1-3H,(H,12,13)(H,14,17)","","2018-01-23","2018-12-21","3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one","2018-12-26"],["BWQ","~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate","C30 H41 N3 O5","CC(C)C[CH]1N2[CH](Cc3c1[nH]c4cc(OC5CCCC5)ccc34)C(=O)N[CH](CCC(=O)OC(C)(C)C)C2=O;CC(C)CC1c2c(c3ccc(cc3[nH]2)OC4CCCC4)CC5N1C(=O)C(NC5=O)CCC(=O)OC(C)(C)C","InChI=1S/C30H41N3O5/c1-17(2)14-24-27-21(20-11-10-19(15-23(20)31-27)37-18-8-6-7-9-18)16-25-28(35)32-22(29(36)33(24)25)12-13-26(34)38-30(3,4)5/h10-11,15,17-18,22,24-25,31H,6-9,12-14,16H2,1-5H3,(H,32,35)/t22-,24-,25-/m0/s1","","2017-10-27","2018-04-06","~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate","2018-04-11"],["NY3","2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate","C27 H30 N4 O4","CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4","InChI=1S/C27H30N4O4/c1-4-31(5-2)21-9-10-22-18(3)23(26(32)35-25(22)14-21)11-12-34-27(33)29-15-19-7-6-8-20(13-19)24-16-28-17-30-24/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,28,30)(H,29,33)","","2021-02-09","2021-05-14","2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate","2021-05-19"],["BWR","~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide","C20 H23 N5 O2 S","NC1CCN(CC1)Cc2ccc(CNC(=O)c3csc4N=CNC(=O)c34)cc2;c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N","InChI=1S/C20H23N5O2S/c21-15-5-7-25(8-6-15)10-14-3-1-13(2-4-14)9-22-18(26)16-11-28-20-17(16)19(27)23-12-24-20/h1-4,11-12,15H,5-10,21H2,(H,22,26)(H,23,24,27)","","2019-03-25","2019-08-30","~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide","2019-09-04"],["BWS","L-gamma-glutamyl-L-alanylglycine","C10 H17 N3 O6","NC(CCC(=O)NC(C(NCC(=O)O)=O)C)C(=O)O;C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1","","2017-08-31","2018-09-07","L-gamma-glutamyl-L-alanylglycine","2018-09-12"],["NY4","N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide","C12 H16 N2 O","NC(C)c1ccc(cc1)NC(=O)C2CC2;C[CH](N)c1ccc(NC(=O)C2CC2)cc1;CC(c1ccc(cc1)NC(=O)C2CC2)N","InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m0/s1","","2019-05-29","2019-07-05","N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide","2019-07-10"],["NY5","5,6,7,8-tetrahydronaphthalene-2-carboxylic acid","C11 H12 O2","OC(=O)c1ccc2CCCCc2c1;c1cc2c(cc1C(=O)O)CCCC2","InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)","","2020-01-08","2021-01-22","5,6,7,8-tetrahydronaphthalene-2-carboxylic acid","2021-01-27"],["BWT","[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium","C8 H9 N6 O","[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2;c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]","InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1","","2017-10-27","2019-02-15","[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium","2019-02-20"],["BWU","Tetraphenylporphycene contating cobalt","C44 H28 Co N4","[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10;c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1","InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30;/h1-28H;/q-2;+2/b34-33-,36-35-,41-37-,42-38-,42-41-,43-39-,44-40-,44-43-;","Co-9,10,19,20-Tetraphenylporphycene","2019-03-25","2020-06-17","","2020-03-11"],["NY6","3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione","C27 H32 N6 O5","CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C(=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O","InChI=1S/C27H32N6O5/c1-4-31(5-2)18-6-7-19-17(3)20(24(35)38-22(19)14-18)8-11-33-25(36)27(30-26(33)37)9-12-32(13-10-27)23(34)21-15-28-16-29-21/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,28,29)(H,30,37)","","2021-02-09","2021-05-14","3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione","2021-05-19"],["BWV","N~5~-(N-butylcarbamimidoyl)-L-ornithine","C10 H22 N4 O2","NC(C(O)=O)CCCN/C(NCCCC)=N;CCCCNC(=N)NCCC[CH](N)C(O)=O;CCCCNC(=N)NCCCC(C(=O)O)N","InChI=1S/C10H22N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1","","2017-09-01","2024-09-27","N~5~-(N-butylcarbamimidoyl)-L-ornithine","2017-12-13"],["NY7","N-(2-methoxy-5-methylphenyl)glycinamide","C10 H14 N2 O2","N(c1cc(ccc1OC)C)C(CN)=O;COc1ccc(C)cc1NC(=O)CN;Cc1ccc(c(c1)NC(=O)CN)OC","InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)","","2019-05-29","2019-07-05","N-(2-methoxy-5-methylphenyl)glycinamide","2019-07-10"],["NY8","~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine","C31 H40 N6 O2","COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC;CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC","InChI=1S/C31H40N6O2/c1-36(2)15-7-14-32-31-34-27-20-29(39-4)28(38-3)19-26(27)30(35-31)33-25-12-16-37(17-13-25)21-22-10-11-23-8-5-6-9-24(23)18-22/h5-6,8-11,18-20,25H,7,12-17,21H2,1-4H3,(H2,32,33,34,35)","","2020-01-08","2021-07-16","~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine","2021-07-21"],["BWW","4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid","C19 H14 F N O6 S","OC(=O)c1ccc(N[S](=O)(=O)c2cccc(c2)c3cc(F)ccc3O)cc1O;c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F","InChI=1S/C19H14FNO6S/c20-12-4-7-17(22)16(9-12)11-2-1-3-14(8-11)28(26,27)21-13-5-6-15(19(24)25)18(23)10-13/h1-10,21-23H,(H,24,25)","","2017-10-27","2018-11-02","4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid","2018-11-07"],["NY9","N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea","C23 H28 N4 O3","CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(=O)NCc1cccnc1)=C2C;CCN(CC)c1ccc2C(=C(CCNC(=O)NCc3cccnc3)C(=O)Oc2c1)C;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3","InChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29)","","2021-08-17","2022-02-11","N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea","2022-02-16"],["BWX","(2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid","C22 H27 N O3","CC(C)Cc1ccc(cc1)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O;CC(C)Cc1ccc(cc1)C(C)C(=O)NC(Cc2ccccc2)C(=O)O","InChI=1S/C22H27NO3/c1-15(2)13-18-9-11-19(12-10-18)16(3)21(24)23-20(22(25)26)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1","N-(S)-Ibuprofenoyl-L-Phenylalanine","2019-03-26","2020-06-17","(2~{S})-2-[[(2~{S})-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid","2020-03-18"],["NYA","(1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol","C34 H50 O3","OC6/C(=C)C(O)CC(=CC=C2C1CCC(C1(C)CCC2)C(/C=C/C(O)C34CC5CC(C3)CC(C4)C5)C)C6;C[CH](C=C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)[CH](O)C6;CC(C=CC(C12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)O)O)C","InChI=1S/C34H50O3/c1-21(6-11-32(37)34-18-24-13-25(19-34)15-26(14-24)20-34)28-9-10-29-27(5-4-12-33(28,29)3)8-7-23-16-30(35)22(2)31(36)17-23/h6-8,11,21,24-26,28-32,35-37H,2,4-5,9-10,12-20H2,1,3H3/b11-6+,27-8+/t21-,24-,25+,26-,28-,29+,30-,31-,32-,33-,34-/m1/s1","","2008-05-13","2011-06-04","(1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol",""],["BWY","10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine","C25 H34 N6 O2 S","c5nc(c4cn3c(c1c(ccc(c1)S(C2CCN(CC2)C(C)(C)C)=O)OCC3)n4)n(n5)C(C)C;CC(C)n1ncnc1c2cn3CCOc4ccc(cc4c3n2)[S](=O)C5CCN(CC5)C(C)(C)C;CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C","InChI=1S/C25H34N6O2S/c1-17(2)31-24(26-16-27-31)21-15-29-12-13-33-22-7-6-19(14-20(22)23(29)28-21)34(32)18-8-10-30(11-9-18)25(3,4)5/h6-7,14-18H,8-13H2,1-5H3/t34-/m0/s1","","2017-09-01","2017-11-10","10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine","2017-11-15"],["NYB","N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE","C8 H17 N O2 S","O=C(O)C(NC)CSC(CC)C;CC[CH](C)SC[CH](NC)C(O)=O;CCC(C)SCC(C(=O)O)NC","InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1","","2010-07-14","2024-09-27","N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine",""],["BWZ","[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium","C8 H9 N6 O","[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2;c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2","InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1","","2017-10-27","2019-02-15","[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium","2019-02-20"],["NYC","[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C17 H18 N4 O4","O=C1N(C(=N/C1=Cc3c2ccccc2nc3)C(N)C(O)C)CC(=O)O;C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O;CC(C(C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O","InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1","","2003-04-11","2011-12-12","[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["BX0","(3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one","C15 H20 O3","C[CH]1CC[CH](O)[C]2(C)C[CH]3OC(=O)C(=C)[CH]3C=C12;CC1CCC(C2(C1=CC3C(C2)OC(=O)C3=C)C)O","InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1","1beta-Hydroxyalantolactone","2022-03-31","2024-09-27","(3~{a}~{R},5~{S},8~{R},8~{a}~{R},9~{a}~{R})-5,8~{a}-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9~{a}-hexahydro-3~{a}~{H}-benzo[f][1]benzofuran-2-one","2022-05-04"],["NYE","3-azanylnaphthalene-2-carboxylic acid","C11 H9 N O2","Nc1cc2ccccc2cc1C(O)=O;c1ccc2cc(c(cc2c1)C(=O)O)N","InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)","","2020-01-09","2021-01-22","3-azanylnaphthalene-2-carboxylic acid","2021-01-27"],["BX1","1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid","C19 H24 N4 O5","O=C(O)C3CCN(c2nc(c1cc(OC)c(OC)c(OC)c1)cnc2N)CC3;COc1cc(cc(OC)c1OC)c2cnc(N)c(n2)N3CCC(CC3)C(O)=O;COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N","InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)","","2010-07-07","2011-06-04","1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid",""],["NYF","N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide","C34 H37 N5 O3 S","O=C(NCC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1;O=C(CNC(=O)c1cccnc1)N[CH](CS[CH](Cc2ccccc2)C(=O)NCCCc3cccnc3)Cc4ccccc4;c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3)NC(=O)CNC(=O)c4cccnc4","InChI=1S/C34H37N5O3S/c40-32(24-38-33(41)29-16-9-18-36-23-29)39-30(20-26-10-3-1-4-11-26)25-43-31(21-27-12-5-2-6-13-27)34(42)37-19-8-15-28-14-7-17-35-22-28/h1-7,9-14,16-18,22-23,30-31H,8,15,19-21,24-25H2,(H,37,42)(H,38,41)(H,39,40)/t30-,31+/m0/s1","","2022-04-13","2022-07-22","N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide","2022-07-27"],["BX2","(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one","C23 H24 N6 O","O=C2N(C(=NC2(c1cc(nc(c1)CC)CC)c4cccc(c3cncnc3)c4)N)C;CCc1cc(cc(CC)n1)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4;CCc1cc(cc(n1)CC)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4","InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1","","2009-08-17","2011-06-04","(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one",""],["BX3","(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID","C27 H30 N4 O3","O=C(O)C(c2ccc(OC1CCN(C(=[N@H])C)CC1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4;CC(=N)N1CCC(CC1)Oc2ccc(cc2)[CH](Cc3ccc4ccc(cc4c3)C(N)=N)C(O)=O;CC(=N)N1CCC(CC1)Oc2ccc(cc2)C(Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O","InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/b28-17+/t25-/m0/s1","BX5633","1999-07-08","2020-06-17","(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid",""],["NYG","[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C15 H16 N4 O5","O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2;N[CH](CC(N)=O)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CC(=O)N)N)CC(=O)O)O","InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1","CHROMOPHORE (ASN-TYR-GLY)","2007-01-19","2024-09-27","{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["BX4","3'-aminobiphenyl-4-sulfonamide","C12 H12 N2 O2 S","S(=O)(N)(=O)c1ccc(cc1)c2cccc(c2)N;Nc1cccc(c1)c2ccc(cc2)[S](N)(=O)=O;c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H12N2O2S/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(14,15)16/h1-8H,13H2,(H2,14,15,16)","","2015-10-01","2016-01-15","3'-aminobiphenyl-4-sulfonamide","2016-01-20"],["NYH","1-nitrocyclohexene","C6 H9 N O2","[O-][N+](=O)C1=CCCCC1;[O-][N+](=O)C1=CCCCC1;C1CCC(=CC1)[N+](=O)[O-]","InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2","","2008-10-28","2011-06-04","1-nitrocyclohexene",""],["NYI","4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one","C11 H10 N2 O2","C=CC(=O)N1CC(=O)Nc2ccccc12;C=CC(=O)N1CC(=O)Nc2c1cccc2","InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)","","2022-08-24","2022-09-23","4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one","2022-09-28"],["BX5","[4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium","C5 H11 N6 O","[NH3+]NC(=O)CCCc1n[nH]nn1;C(Cc1n[nH]nn1)CC(=O)N[NH3+]","InChI=1S/C5H10N6O/c6-7-5(12)3-1-2-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)/p+1","","2017-10-27","2019-02-15","[4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium","2019-02-20"],["NYJ","4,5-dimethyl-3-phenylisoquinolin-1(2H)-one","C17 H15 N O","O=C2c3cccc(c3C(=C(c1ccccc1)N2)C)C;Cc1cccc2C(=O)NC(=C(C)c12)c3ccccc3;Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C","InChI=1S/C17H15NO/c1-11-7-6-10-14-15(11)12(2)16(18-17(14)19)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,18,19)","","2014-08-08","2015-07-24","4,5-dimethyl-3-phenylisoquinolin-1(2H)-one","2015-07-29"],["BX6","[(1R)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid","C12 H18 B N O3 S","C[CH](CS)C(=O)N[CH](Cc1ccccc1)B(O)O;B(C(Cc1ccccc1)NC(=O)C(C)CS)(O)O","InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1","","2019-03-27","2019-07-12","[(1~{R})-1-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid","2019-07-17"],["BX7","N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide","C23 H26 I N7 O2 S","O=C(NCCCNc1nc(ncc1I)Nc3cccc(NC(=O)N2CCCC2)c3)c4sccc4;Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4sccc4;c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I","InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)","","2012-05-14","2012-05-18","N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide",""],["NYK","[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile","C10 H8 N2 O","C(C#N)C1C(Nc2ccccc12)=O;O=C1Nc2ccccc2[CH]1CC#N;c1ccc2c(c1)C(C(=O)N2)CC#N","InChI=1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)/t8-/m0/s1","","2016-03-11","2016-03-18","2-[(3S)-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanenitrile","2016-03-23"],["BX9","[(R)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid","C11 H15 B F N O3 S","C[CH](CS)C(=O)N[CH](B(O)O)c1ccc(F)cc1;B(C(c1ccc(cc1)F)NC(=O)C(C)CS)(O)O","InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10+/m1/s1","","2019-03-27","2019-07-12","[(~{R})-(4-fluorophenyl)-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid","2019-07-17"],["NYL","N-ALLYL-ANILINE","C9 H11 N","C(=C)CNc1ccccc1;C=CCNc1ccccc1;C=CCNc1ccccc1","InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2","","2003-03-27","2011-06-04","N-prop-2-en-1-ylaniline",""],["BXA","bromoacetic acid","C2 H3 Br O2","BrCC(=O)O;OC(=O)CBr;C(C(=O)O)Br","InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)","","2010-07-21","2024-09-27","bromoacetic acid",""],["NYM","3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE","C10 H16 N3 O7 P","O=C1NC(=O)N(C=C1C)C2OC(C(N)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](N)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N","InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","PHOSPHORIC ACID MONO-[3-AMINO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER","2003-01-15","2021-03-13","3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate)",""],["BXB","N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide","C15 H11 Cl2 N O3","Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2;Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2;c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl","InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)","","2009-08-13","2011-06-04","N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide",""],["NYN","chlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate","C8 H16 N2 Ru S3","C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4;C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4","InChI=1S/C6H12S3.C2H4N2.Ru/c1-2-8-5-6-9-4-3-7-1;3-1-2-4;/h1-6H2;1-2H2;/q;-2;-3","","2020-01-10","2020-04-24","","2020-04-29"],["NYO","(5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione","C26 H30 N6 O5","CCN(CC)c1ccc2C(=C(CCN3C(=O)N[C]4(CCN(C4)C(=O)c5c[nH]cn5)C3=O)C(=O)Oc2c1)C;CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O","InChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1","","2021-02-09","2021-05-14","(5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione","2021-05-19"],["BXC","(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside","C25 H50 O5","O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1OCC(O)C(O)C1O;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH]1OC[CH](O)[CH](O)[CH]1O;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC1C(C(C(CO1)O)O)O","InChI=1S/C25H50O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-29-25-24(28)23(27)22(26)17-30-25/h18-28H,6-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25+/m1/s1","","2010-04-08","2011-06-04","(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside",""],["NYP","N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM","C11 H18 N","C(=[N+](/CC1CC=CCC1)C)C=C;C[N+](C[CH]1CCC=CC1)=CC=C;C[N+](=CC=C)CC1CCC=CC1","InChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+/t11-/m1/s1","","2001-10-26","2011-06-04","(1S)-cyclohex-3-en-1-yl-N-methyl-N-[(1E)-prop-2-en-1-ylidene]methanaminium",""],["BXD","(3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","C28 H38 F4 N2 O5 S","O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc3cc(F)c(N)c(OC(C(F)(F)F)COCC)c3;CCOC[CH](Oc1cc(C[CH]2C[S](=O)(=O)C[CH](NCc3cccc(c3)C(C)(C)C)[CH]2O)cc(F)c1N)C(F)(F)F;CCOCC(C(F)(F)F)Oc1cc(cc(c1N)F)CC2CS(=O)(=O)CC(C2O)NCc3cccc(c3)C(C)(C)C","InChI=1S/C28H38F4N2O5S/c1-5-38-14-24(28(30,31)32)39-23-12-18(11-21(29)25(23)33)9-19-15-40(36,37)16-22(26(19)35)34-13-17-7-6-8-20(10-17)27(2,3)4/h6-8,10-12,19,22,24,26,34-35H,5,9,13-16,33H2,1-4H3/t19-,22+,24-,26+/m1/s1","","2012-01-13","2012-11-16","(3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","2012-11-16"],["NYQ","5-bromanyl-1,3-dihydroindol-2-one","C8 H6 Br N O","Brc1ccc2NC(=O)Cc2c1;c1cc2c(cc1Br)CC(=O)N2","InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)","","2020-01-10","2024-09-27","5-bromanyl-1,3-dihydroindol-2-one","2020-11-25"],["BXE","[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium","C4 H9 N6 O","[NH3+]NC(=O)CCc1n[nH]nn1;C(CC(=O)N[NH3+])c1n[nH]nn1","InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1","","2017-10-27","2019-02-22","[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium","2019-02-27"],["NYR","N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide","C12 H12 Cl N3 O","O=C(Cc1c[NH]nc1C)Nc1cccc(Cl)c1;Cc1n[nH]cc1CC(=O)Nc2cccc(Cl)c2;Cc1c(c[nH]n1)CC(=O)Nc2cccc(c2)Cl","InChI=1S/C12H12ClN3O/c1-8-9(7-14-16-8)5-12(17)15-11-4-2-3-10(13)6-11/h2-4,6-7H,5H2,1H3,(H,14,16)(H,15,17)","","2023-08-16","2023-11-03","N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide","2023-11-08"],["BXF","2-deoxy-2-fluoro-beta-D-xylopyranose","C5 H9 F O4","FC1C(O)C(O)COC1O;O[CH]1CO[CH](O)[CH](F)[CH]1O;C1C(C(C(C(O1)O)F)O)O","InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5-/m1/s1","2-deoxy-2-fluoro-beta-D-xylose; 2-deoxy-2-fluoro-D-xylose; 2-deoxy-2-fluoro-xylose","2012-03-09","2024-09-27","2-deoxy-2-fluoro-beta-D-xylopyranose","2013-03-06"],["NYS","S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine","C11 H16 N2 O5 S","O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN;NC[CH](O)c1cc(O)c(O)c(SC[CH](N)C(O)=O)c1;c1c(cc(c(c1O)O)SCC(C(=O)O)N)C(CN)O","InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1","","2007-10-08","2024-09-27","S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine",""],["BXG","2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide","C17 H12 Cl N3 O4","c1(cc(ccc1Cl)[N+]([O-])=O)C(Nc2ccnc3c2cc(cc3)OC)=O;COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2c1;COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]","InChI=1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22)","","2017-09-01","2024-09-27","2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide","2018-09-12"],["NYT","beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside","C24 H42 O21","OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO)O[CH](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)CO)O)O)O)O","InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1","Nystose","2010-02-15","2020-07-17","(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",""],["BXH","ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate","C5 H8 N4 O2","CCOC(=O)Cc1n[nH]nn1;CCOC(=O)Cc1n[nH]nn1","InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)","","2017-10-27","2019-02-15","ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate","2019-02-20"],["NYU","11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol","C28 H37 N O3","CN(C)CCOc1ccc(cc1)C1CC2(C)C(CCC2O)C2CCc3cc(O)ccc3C12;CN(C)CCOc1ccc(cc1)[CH]2C[C]3(C)[CH](O)CC[CH]3[CH]4CCc5cc(O)ccc5[CH]24;CC12CC(C3c4ccc(cc4CCC3C1CCC2O)O)c5ccc(cc5)OCCN(C)C","InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27+,28-/m0/s1","","2022-04-14","2022-04-29","11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol","2022-05-04"],["BXI","1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol","C23 H28 Cl2 N6 O2","CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl;CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C4CCN(CC4)C5COC5)c1Cl;CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O","InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29)","","2021-11-18","2022-01-07","1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol","2022-01-12"],["BXJ","N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide","C34 H37 N7 O4","C1(=NC(C=NC1=O)c4c(c(NC(c3ccc(N2CCCCC2)cc3)=O)ccc4)C)Nc6ccc(C(N5CCOCC5)=O)c(c6)N;Cc1c(NC(=O)c2ccc(cc2)N3CCCCC3)cccc1[CH]4C=NC(=O)C(=N4)Nc5ccc(c(N)c5)C(=O)N6CCOCC6;Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6","InChI=1S/C34H37N7O4/c1-22-26(6-5-7-29(22)39-32(42)23-8-11-25(12-9-23)40-14-3-2-4-15-40)30-21-36-33(43)31(38-30)37-24-10-13-27(28(35)20-24)34(44)41-16-18-45-19-17-41/h5-13,20-21,30H,2-4,14-19,35H2,1H3,(H,37,38)(H,39,42)","","2017-09-01","2018-09-07","N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide","2018-09-12"],["NYV","1-(propan-2-yl)-1H-imidazole-4-sulfonamide","C6 H11 N3 O2 S","n1(cnc(S(N)(=O)=O)c1)C(C)C;CC(C)n1cnc(c1)[S](N)(=O)=O;CC(C)n1cc(nc1)S(=O)(=O)N","InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)","","2019-05-29","2019-07-05","1-(propan-2-yl)-1H-imidazole-4-sulfonamide","2019-07-10"],["BXK","(2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid","C12 H19 N O8","CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(C)CC(C(=O)O)NC(=O)OC(CCC(=O)O)C(=O)O","InChI=1S/C12H19NO8/c1-6(2)5-7(10(16)17)13-12(20)21-8(11(18)19)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8+/m1/s1","","2017-10-27","2018-11-02","(2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid","2018-11-07"],["NYW","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C11 H18 N6 O9 P2","Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N","InChI=1S/C11H18N6O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,20,21,22)(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1","","2020-01-13","2020-02-14","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-02-19"],["BXL","(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide","C20 H23 N3 O2","O=C(Nc1ccccc1N)CCC/C=C/CC(=O)Nc2ccccc2;Nc1ccccc1NC(=O)CCCC=CCC(=O)Nc2ccccc2;c1ccc(cc1)NC(=O)CC=CCCCC(=O)Nc2ccccc2N","InChI=1S/C20H23N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h1,3-6,8-13H,2,7,14-15,21H2,(H,22,24)(H,23,25)/b6-1+","","2010-05-07","2011-10-28","(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide",""],["NYX","2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide","C10 H10 Cl N3 O","ClCC(=O)NCc1ccc2[nH]ncc2c1;c1cc2c(cc1CNC(=O)CCl)cn[nH]2","InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)","","2022-08-25","2024-09-27","2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide","2022-09-28"],["NYZ","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C11 H17 N5 O10 P2","NC1=NC(=O)Nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N","InChI=1S/C11H17N5O10P2/c12-8-5-9(15-11(19)14-8)16(2-13-5)10-7(18)6(17)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1","","2020-01-13","2020-02-14","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-02-19"],["BXM","4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide","C34 H37 N5 O4","c4(C=3C=C(Nc1ccc(cn1)C(=O)N2CCOCC2)C(=O)N(C=3)C)cccc(c4C)NC(=O)c5ccc(cc5)C(C)(C)C;CN1C=C(C=C(Nc2ccc(cn2)C(=O)N3CCOCC3)C1=O)c4cccc(NC(=O)c5ccc(cc5)C(C)(C)C)c4C;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C","InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-12-26(13-10-23)34(2,3)4)25-19-29(33(42)38(5)21-25)36-30-14-11-24(20-35-30)32(41)39-15-17-43-18-16-39/h6-14,19-21H,15-18H2,1-5H3,(H,35,36)(H,37,40)","","2017-09-01","2018-09-07","4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide","2018-09-12"],["NZ0","(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide","C13 H12 N6 O3 S","OCc1ccc(cc1)c1ccnc(c1c1n[NH]nn1)S(N)(=O)=O;N[S](=O)(=O)c1nccc(c2ccc(CO)cc2)c1c3n[nH]nn3;c1cc(ccc1CO)c2ccnc(c2c3n[nH]nn3)S(=O)(=O)N","InChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)","","2022-04-14","2023-03-03","(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide","2023-03-08"],["BXN","4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide","C23 H33 Cl2 N5 O2 S","Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3CCN4CCC[CH]4C3)cc2Cl)c1C;Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCCC4C3)Cl","InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1","","2017-10-28","2019-02-01","4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide","2019-02-06"],["NZ1","5-methoxy-1,3-benzothiazol-2-amine","C8 H8 N2 O S","Nc2sc1ccc(cc1n2)OC;COc1ccc2sc(N)nc2c1;COc1ccc2c(c1)nc(s2)N","InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)","","2019-05-29","2019-07-05","5-methoxy-1,3-benzothiazol-2-amine","2019-07-10"],["BXO","(1Z)-butanal oxime","C4 H9 N O","N(/O)=C/CCC;CCCC=NO;CCCC=NO","InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4-","n-Butyraldoxime","2009-03-31","2021-03-01","(1Z)-butanal oxime",""],["BXP","4-O-beta-D-xylopyranosyl-beta-D-xylopyranose","C10 H18 O9","O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O;O[CH]1CO[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O","InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1","XYLOBIOSE","2006-11-09","2020-07-17","4-O-beta-D-xylopyranosyl-beta-D-xylopyranose",""],["NZ2","N-(methylsulfonyl)-N-phenyl-L-alanine","C10 H13 N O4 S","O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C;C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O;CC(C(=O)O)N(c1ccccc1)S(=O)(=O)C","InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1","","2013-06-05","2014-05-16","N-(methylsulfonyl)-N-phenyl-L-alanine","2014-05-21"],["NZ3","N-(methylsulfonyl)-N-phenyl-D-alanine","C10 H13 N O4 S","O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C;C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O;CC(C(=O)O)N(c1ccccc1)S(=O)(=O)C","InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m1/s1","","2013-06-05","2014-05-16","N-(methylsulfonyl)-N-phenyl-D-alanine","2014-05-21"],["BXQ","(3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","C26 H34 F4 N2 O4 S","O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(C)(C)C)C2)Cc3cc(c(N)c(F)c3)CC(O)C(F)(F)F;CC(C)(C)c1cccc(CN[CH]2C[S](=O)(=O)C[CH](Cc3cc(F)c(N)c(C[CH](O)C(F)(F)F)c3)[CH]2O)c1;CC(C)(C)c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(c3)F)N)CC(C(F)(F)F)O","InChI=1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-15(9-19)12-32-21-14-37(35,36)13-18(24(21)34)8-16-7-17(23(31)20(27)10-16)11-22(33)26(28,29)30/h4-7,9-10,18,21-22,24,32-34H,8,11-14,31H2,1-3H3/t18-,21+,22+,24+/m1/s1","","2012-01-13","2012-11-16","(3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide","2012-11-16"],["BXR","2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine","C9 H10 Cl N5","Clc1cc(c(cc1)n2nnnc2)CCN;NCCc1cc(Cl)ccc1n2cnnn2;c1cc(c(cc1Cl)CCN)n2cnnn2","InChI=1S/C9H10ClN5/c10-8-1-2-9(7(5-8)3-4-11)15-6-12-13-14-15/h1-2,5-6H,3-4,11H2","","2011-07-25","2012-04-06","2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine",""],["NZ4","N-(3-acetylphenyl)morpholine-4-carboxamide","C13 H16 N2 O3","N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O;CC(=O)c1cccc(NC(=O)N2CCOCC2)c1;CC(=O)c1cccc(c1)NC(=O)N2CCOCC2","InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)","","2019-05-29","2019-07-05","N-(3-acetylphenyl)morpholine-4-carboxamide","2019-07-10"],["BXS","(2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid","C12 H10 O6","c1c(C([C@H]=C(C(O)=O)O)=O)cc2c(c1)OCCO2;OC(=O)C(O)=CC(=O)c1ccc2OCCOc2c1;c1cc2c(cc1C(=O)C=C(C(=O)O)O)OCCO2","InChI=1S/C12H10O6/c13-8(6-9(14)12(15)16)7-1-2-10-11(5-7)18-4-3-17-10/h1-2,5-6,14H,3-4H2,(H,15,16)/b9-6-","","2017-09-01","2018-08-31","(2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid","2018-09-05"],["NZ5","(2~{R})-butane-1,2-diol","C4 H10 O2","CC[CH](O)CO;CCC(CO)O","InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","","2020-01-13","2020-11-13","(2~{R})-butane-1,2-diol","2020-11-18"],["NZ6","1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one","C27 H28 Cl N5 O","CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1;CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccccc4)c5c6cn[nH]c6cc(c5Cl)C)C","InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30)","[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)","2022-08-25","2024-09-27","1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one","2022-12-07"],["BXT","(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid","C7 H14 N2 O4","CCN(C)C(=O)OC[CH](N)C(O)=O;CCN(C)C(=O)OCC(C(=O)O)N","InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-4-5(8)6(10)11/h5H,3-4,8H2,1-2H3,(H,10,11)/t5-/m0/s1","","2017-10-30","2024-09-27","(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid","2018-08-29"],["NZ7","(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide","C10 H18 N2 O3","N(C)(C)C(N2CCOCC21COCC1)=O;CN(C)C(=O)N1CCOC[C]12CCOC2;CN(C)C(=O)N1CCOCC12CCOC2","InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m1/s1","","2019-05-29","2019-07-05","(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide","2019-07-10"],["BXU","[(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid","C11 H15 B F N O3 S","C[CH](CS)C(=O)N[CH](B(O)O)c1ccc(F)cc1;B(C(c1ccc(cc1)F)NC(=O)C(C)CS)(O)O","InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10-/m1/s1","","2019-03-27","2019-07-12","[(~{S})-(4-fluorophenyl)-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid","2019-07-17"],["NZ8","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea","C25 H15 Cl F3 N5 O3","FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl;c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl","InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36)","","2020-01-13","2020-11-13","1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea","2020-11-18"],["BXV","4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid","C21 H21 F3 N2 O5","FC(F)(F)Oc1ccc(cc1)NC(NC2CCC(CC2)Oc3ccc(cc3)C(O)=O)=O;OC(=O)c1ccc(O[CH]2CC[CH](CC2)NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc1;c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F","InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-","","2017-09-04","2018-02-02","4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid","2018-02-07"],["NZ9","3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid","C8 H9 N O4 S2","O=S(=O)(c1c(scc1)C(=O)O)NC2CC2;OC(=O)c1sccc1[S](=O)(=O)NC2CC2;c1csc(c1S(=O)(=O)NC2CC2)C(=O)O","InChI=1S/C8H9NO4S2/c10-8(11)7-6(3-4-14-7)15(12,13)9-5-1-2-5/h3-5,9H,1-2H2,(H,10,11)","","2013-06-05","2014-05-16","3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid","2014-05-21"],["BXW","3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid","C9 H7 N O3 S","O=C(O)c2ccc1c(SCC(=O)N1)c2;OC(=O)c1ccc2NC(=O)CSc2c1;c1cc2c(cc1C(=O)O)SCC(=O)N2","InChI=1S/C9H7NO3S/c11-8-4-14-7-3-5(9(12)13)1-2-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)","","2011-07-25","2012-04-06","3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid",""],["NZA","5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID","C22 H15 Cl2 N O2 S","Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc3ccccc3)c4C(=O)O;OC(=O)c1n(Cc2ccc(Cl)cc2)c3ccc(Cl)cc3c1Sc4ccccc4;c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl","InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)","NTZDPA","2007-06-25","2020-06-17","5-chloro-1-(4-chlorobenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid",""],["BXX","beta-D-arabinofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1","beta-D-arabinose; D-arabinose; arabinose","2009-06-04","2020-07-17","beta-D-arabinofuranose",""],["NZB","[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine","C23 H23 F N4 O","CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4cccnc4;CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F","InChI=1S/C23H23FN4O/c1-28(2)15-22-20-12-17(5-8-21(20)26-27-22)19-7-6-18(24)13-23(19)29-11-9-16-4-3-10-25-14-16/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,26,27)","1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2020-01-13","2021-07-16","1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2021-07-21"],["BXY","alpha-D-arabinofuranose","C5 H10 O5","OC1C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH]1O;C(C1C(C(C(O1)O)O)O)O","InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1","alpha-D-arabinose; D-arabinose; arabinose","2009-06-04","2020-07-17","alpha-D-arabinofuranose",""],["NZC","N-methylidene-L-threonine","C5 H11 N O3","O=C(O)C(NC)C(O)C;CN[CH]([CH](C)O)C(O)=O;CC(C(C(=O)O)NC)O","InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4+/m1/s1","","2015-02-05","2024-09-27","N-methyl-L-threonine","2015-06-03"],["BXZ","4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol","C13 H8 Br N O4","Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O;Oc1ccc2c(onc2c3cc(Br)c(O)cc3O)c1;c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br","InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H","","2007-12-13","2011-06-04","4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol",""],["BY0","[(1S)-2-(1-benzofuran-3-yl)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid","C14 H18 B N O4 S","C[CH](CS)C(=O)N[CH](Cc1coc2ccccc12)B(O)O;B(C(Cc1coc2c1cccc2)NC(=O)C(C)CS)(O)O","InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13-/m1/s1","","2019-03-27","2019-07-12","[(1~{S})-2-(1-benzofuran-3-yl)-1-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid","2019-07-17"],["NZD","4-methyl-N-phenylpiperazine-1-carboxamide","C12 H17 N3 O","N1(CCN(CC1)C(Nc2ccccc2)=O)C;CN1CCN(CC1)C(=O)Nc2ccccc2;CN1CCN(CC1)C(=O)Nc2ccccc2","InChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)","","2019-05-29","2019-07-05","4-methyl-N-phenylpiperazine-1-carboxamide","2019-07-10"],["NZE","[(5-{4-fluoro-2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine","C21 H22 F N5 O","CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3OCCn4ccnc4;CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F","InChI=1S/C21H22FN5O/c1-26(2)13-20-18-11-15(3-6-19(18)24-25-20)17-5-4-16(22)12-21(17)28-10-9-27-8-7-23-14-27/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,24,25)","1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2020-01-13","2021-07-16","1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine","2021-07-21"],["BY1","3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile","C10 H9 N O2 S","O=S(=O)(C=CC#N)c1ccc(cc1)C;Cc1ccc(cc1)[S](=O)(=O)C=CC#N;Cc1ccc(cc1)S(=O)(=O)C=CC#N","InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3","BAY 11-7082","2014-02-07","2024-09-27","3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile","2015-05-06"],["NZF","(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide","C27 H30 F3 N5 O5","FC(F)(F)Oc1cccc(c1)CNC(=O)C4CCCN(c2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3)C4;COc1cc(Nc2nccc(n2)N3CCC[CH](C3)C(=O)NCc4cccc(OC(F)(F)F)c4)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)OC(F)(F)F","InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1","","2012-06-22","2012-08-24","(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide","2012-08-24"],["BY2","[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate","C14 H22 N2 O3","CCN(C)C(=O)Oc1ccc(O)c(c1)[CH](C)N(C)C;CCN(C)C(=O)Oc1ccc(c(c1)C(C)N(C)C)O","InChI=1S/C14H22N2O3/c1-6-16(5)14(18)19-11-7-8-13(17)12(9-11)10(2)15(3)4/h7-10,17H,6H2,1-5H3/t10-/m1/s1","","2017-10-30","2024-09-27","[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate","2018-11-14"],["NZG","3-(acetylamino)-4-fluorobenzoic acid","C9 H8 F N O3","N(C(C)=O)c1cc(C(O)=O)ccc1F;CC(=O)Nc1cc(ccc1F)C(O)=O;CC(=O)Nc1cc(ccc1F)C(=O)O","InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)","","2019-05-29","2019-07-05","3-(acetylamino)-4-fluorobenzoic acid","2019-07-10"],["BY3","(E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine","C19 H19 Cl N3 O8 P","O=P(O)(O)OCc1cnc(C)c(O)c1/C=N/C(CC1(Cl)c2ccccc2NC1=O)C(=O)O;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C[C]2(Cl)C(=O)Nc3ccccc23)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC2(c3ccccc3NC2=O)Cl)C(=O)O)O","InChI=1S/C19H19ClN3O8P/c1-10-16(24)12(11(7-21-10)9-31-32(28,29)30)8-22-15(17(25)26)6-19(20)13-4-2-3-5-14(13)23-18(19)27/h2-5,7-8,15,24H,6,9H2,1H3,(H,23,27)(H,25,26)(H2,28,29,30)/b22-8+/t15-,19-/m0/s1","","2023-04-24","2023-08-18","(E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine","2023-08-23"],["BY4","(3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one","C9 H10 N2 O","Cc1cccc2NC(=O)[CH](N)c12;Cc1cccc2c1C(C(=O)N2)N","InChI=1S/C9H10N2O/c1-5-3-2-4-6-7(5)8(10)9(12)11-6/h2-4,8H,10H2,1H3,(H,11,12)/t8-/m1/s1","","2016-03-09","2016-03-18","(3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one","2016-03-23"],["NZH","(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL)-1H-IMIDAZOL-4-YL]PROPANAL","C7 H9 N7 O","O=CC(N)Cc2ncn(c1nnnn1)c2;N[CH](Cc1cn(cn1)c2[nH]nnn2)C=O;c1c(ncn1c2[nH]nnn2)CC(C=O)N","InChI=1S/C7H9N7O/c8-5(3-15)1-6-2-14(4-9-6)7-10-12-13-11-7/h2-5H,1,8H2,(H,10,11,12,13)/t5-/m0/s1","TETRAZOLYL HISTIDINE","2004-12-28","2024-09-27","(2S)-2-amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal",""],["BY5","(~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid","C9 H5 F3 O2 S","OC(=O)C(S)=Cc1c(F)ccc(F)c1F;c1cc(c(c(c1F)C=C(C(=O)O)S)F)F","InChI=1S/C9H5F3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-","","2017-10-30","2018-09-28","(~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid","2018-10-03"],["NZI","[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate","C12 H17 N2 O13 P3","O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C(=O)Nc3ccccc23;c1ccc2c(c1)NC(=O)N2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C12H17N2O13P3/c15-9-5-11(14-8-4-2-1-3-7(8)13-12(14)16)25-10(9)6-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-4,9-11,15H,5-6H2,(H,13,16)(H,20,21)(H,22,23)(H2,17,18,19)/t9-,10+,11+/m0/s1","","2017-09-11","2017-11-24","[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate","2017-11-29"],["BY6","[(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3R,4R)-5-[[(2R,3S)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate","C60 H96 N20 O21 S2","O=C(N)CC(NCC(C(=O)N)N)c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C(=O)NCCCNCCCCNCCCN)cs3)C(O)C)C)C(OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc6)C;C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N)C(N)=O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](OC(N)=O)[CH]3O)c4c[nH]cn4)C(=O)NCCc5scc(n5)c6scc(n6)C(=O)NCCCNCCCCNCCCN;Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O","InChI=1S/C60H96N20O21S2/c1-25-38(77-51(80-49(25)64)30(17-36(63)84)72-18-29(62)50(65)90)55(94)79-40(46(31-19-69-24-73-31)99-59-48(44(88)42(86)34(20-81)98-59)100-58-45(89)47(101-60(66)96)43(87)35(21-82)97-58)56(95)74-27(3)41(85)26(2)52(91)78-39(28(4)83)54(93)71-16-9-37-75-33(23-102-37)57-76-32(22-103-57)53(92)70-15-8-14-68-12-6-5-11-67-13-7-10-61/h19,22-24,26-30,34-35,39-48,58-59,67-68,72,81-83,85-89H,5-18,20-21,61-62H2,1-4H3,(H2,63,84)(H2,65,90)(H2,66,96)(H,69,73)(H,70,92)(H,71,93)(H,74,95)(H,78,91)(H,79,94)(H2,64,77,80)/t26-,27+,28+,29-,30-,34-,35+,39-,40-,41-,42+,43+,44-,45-,46-,47-,48-,58+,59-/m0/s1","Bleomycin A6","2008-02-13","2021-03-01","(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(1R,2S,3S)-4-{[(1S,2R)-1-{[2-(4-{[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]carbamoyl}-2-hydroxypropyl]amino}-2-hydroxy-1,3-dimethyl-4-oxobutyl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)",""],["NZJ","1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide","C14 H18 N2 O2","N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O;Cc1cccc(c1)C(=O)N2CCC(CC2)C(N)=O;Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N","InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)","","2019-05-29","2019-07-05","1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide","2019-07-10"],["BY7","6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine","C20 H26 F3 N3","FC(F)(F)c1cc(CCCN(C)C)cc(c1)CCc2nc(N)cc(c2)C;CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F;Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C","InChI=1S/C20H26F3N3/c1-14-9-18(25-19(24)10-14)7-6-16-11-15(5-4-8-26(2)3)12-17(13-16)20(21,22)23/h9-13H,4-8H2,1-3H3,(H2,24,25)","","2017-09-05","2018-07-06","6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine","2018-07-11"],["NZK","2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide","C17 H20 N4 O2","O=C(CN1CCN(CC1)C(C)=O)Nc1cncc2ccccc21;CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3ccccc23;CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3","InChI=1S/C17H20N4O2/c1-13(22)21-8-6-20(7-9-21)12-17(23)19-16-11-18-10-14-4-2-3-5-15(14)16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)","","2023-08-16","2023-11-03","2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide","2023-11-08"],["NZL","5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid","C24 H28 N2 O5","O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCCCN;NCCCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc4OCOc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN","InChI=1S/C24H28N2O5/c25-11-5-1-2-8-21(27)26-19-13-15-6-3-4-7-17(15)18(19)12-16-9-10-20-23(31-14-30-20)22(16)24(28)29/h3-4,6-7,9-10,18-19H,1-2,5,8,11-14,25H2,(H,26,27)(H,28,29)/t18-,19-/m0/s1","","2013-11-25","2014-09-05","5-({(1S,2S)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid","2013-12-04"],["BY8","(3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","C23 H21 N O3 S","Cc1ccc(CC2=CC(=O)N3[CH](CSC3=C2C4CC4)C(O)=O)c5ccccc15;Cc1ccc(c2c1cccc2)CC3=CC(=O)N4C(CSC4=C3C5CC5)C(=O)O","InChI=1S/C23H21NO3S/c1-13-6-7-15(18-5-3-2-4-17(13)18)10-16-11-20(25)24-19(23(26)27)12-28-22(24)21(16)14-8-9-14/h2-7,11,14,19H,8-10,12H2,1H3,(H,26,27)/t19-/m0/s1","","2017-10-31","2018-04-27","(3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid","2018-05-02"],["BY9","12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione","C26 H21 N3 O7","c1c7c(ccc1)c3c(c5c(c2C(=O)NC(c23)=O)c4ccccc4n5C6OC(C(C(C6O)O)O)CO)n7;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7C(=O)NC(=O)c47;c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)C7C(C(C(C(O7)CO)O)O)O)C(=O)NC4=O","InChI=1S/C26H21N3O7/c30-9-14-21(31)22(32)23(33)26(36-14)29-13-8-4-2-6-11(13)16-18-17(24(34)28-25(18)35)15-10-5-1-3-7-12(10)27-19(15)20(16)29/h1-8,14,21-23,26-27,30-33H,9H2,(H,28,34,35)/t14-,21-,22+,23-,26-/m1/s1","rebeccamycin analogue","2019-11-04","2020-11-20","12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione","2020-11-25"],["NZM","cefixime, bound form","C16 H17 N5 O7 S2","OC(=O)CON=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2;Nc1scc(n1)C(=NOCC(O)=O)C(=O)N[CH](C=O)[CH]2NC(=C(CS2)C=C)C(O)=O;C=CC1=C(NC(SC1)C(C=O)NC(=O)C(=NOCC(=O)O)c2csc(n2)N)C(=O)O","InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1","","2019-05-30","2024-09-27","(2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2019-08-07"],["NZN","N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide","C16 H26 N4 O3","O=C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O;CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2;CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2","InChI=1S/C16H26N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H,17,21)(H,18,22)(H,19,23)","","2016-03-24","2016-09-30","N~1~-(2-cycloheptyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-N~4~-ethylbutanediamide","2016-10-05"],["BYA","N-(phenylcarbonyl)-beta-alanine","C10 H11 N O3","O=C(NCCC(=O)O)c1ccccc1;OC(=O)CCNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NCCC(=O)O","InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)","","2008-12-11","2011-06-04","N-(phenylcarbonyl)-beta-alanine",""],["NZO","nocodazole","C14 H11 N3 O3 S","O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3;COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3;COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3","InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)","methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate","2008-09-04","2020-06-17","methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate",""],["BYB","(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid","C19 H18 F2 N6 O2","OC(=O)[CH]1C2CCC(CC2)[CH]1Nc3nc(ncc3F)c4n[nH]c5ncc(F)cc45;c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)NC4C5CCC(C4C(=O)O)CC5)F)F","InChI=1S/C19H18F2N6O2/c20-10-5-11-15(26-27-16(11)22-6-10)18-23-7-12(21)17(25-18)24-14-9-3-1-8(2-4-9)13(14)19(28)29/h5-9,13-14H,1-4H2,(H,28,29)(H,22,26,27)(H,23,24,25)/t8-,9+,13-,14-/m0/s1","","2017-10-31","2017-12-08","(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid","2017-12-13"],["NZQ","5,6-DIHYDROXY-NADP","C21 H32 N7 O19 P3","NC(=O)C1=CN([CH](O)[CH](O)C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C(CC(C5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N","InChI=1S/C21H32N7O19P3/c22-16-11-18(25-5-24-16)28(6-26-11)21-15(46-48(35,36)37)13(31)10(45-21)4-43-50(40,41)47-49(38,39)42-3-9-12(30)14(32)20(44-9)27-2-7(17(23)33)1-8(29)19(27)34/h2,5-6,8-10,12-15,19-21,29-32,34H,1,3-4H2,(H2,23,33)(H,38,39)(H,40,41)(H2,22,24,25)(H2,35,36,37)/t8-,9+,10+,12+,13+,14+,15+,19-,20+,21+/m0/s1","","2003-07-03","2011-06-04","[[(2R,3S,4R,5R)-5-[(2S,3S)-5-aminocarbonyl-2,3-dihydroxy-3,4-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",""],["BYC","benzoyl coenzyme A","C28 H40 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccccc4;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O","InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1","","2010-11-17","2011-06-04","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} benzenecarbothioate (non-preferred name)",""],["BYD","N,N'-dihydroxybenzene-1,4-dicarboxamide","C8 H8 N2 O4","c1cc(ccc1C(NO)=O)C(NO)=O;ONC(=O)c1ccc(cc1)C(=O)NO;c1cc(ccc1C(=O)NO)C(=O)NO","InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)","","2015-07-17","2015-09-04","N,N'-dihydroxybenzene-1,4-dicarboxamide","2015-09-09"],["NZR","(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","C14 H13 N5 O2 S","Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O;Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N)(=O)=O;Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S(=O)(=O)N","InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19)","","2022-04-14","2023-03-03","(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide","2023-03-08"],["NZS","6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H20 N6 O3 S","O=S4(=O)CCN(c2nc(Nc1cccc(OC)c1)c3cnn(c3n2)C)CC4;COc1cccc(Nc2nc(nc3n(C)ncc23)N4CC[S](=O)(=O)CC4)c1;Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC","InChI=1S/C17H20N6O3S/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)26-2)20-17(21-16)23-6-8-27(24,25)9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)","","2010-07-21","2011-06-04","6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["BYE","1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C15 H12 Cl F3 N4 O","FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccccc3Cl;C[CH](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F;CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F","InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m0/s1","","2009-10-08","2013-11-05","1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",""],["NZT","N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide","C24 H22 N6 O3 S","O=C(c3ccc(NS(=O)(=O)c2c1ncccc1ccc2)cc3)N5CCN(c4nccnc4)CC5;O=C(N1CCN(CC1)c2cnccn2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3;c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5","InChI=1S/C24H22N6O3S/c31-24(30-15-13-29(14-16-30)22-17-25-11-12-26-22)19-6-8-20(9-7-19)28-34(32,33)21-5-1-3-18-4-2-10-27-23(18)21/h1-12,17,28H,13-16H2","","2012-07-24","2012-10-05","N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide","2012-10-05"],["BYG","L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine","C22 H32 N6 O10 S2","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1(SCCCCCCO)c2nonc2C(=CC1)[N+]([O-])=O;N[CH](CCC(=O)N[CH](CS[C]1(CC=C(c2nonc12)[N+]([O-])=O)SCCCCCCO)C(=O)NCC(O)=O)C(O)=O;C1C=C(c2c(non2)C1(SCCCCCCO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]","InChI=1S/C22H32N6O10S2/c23-13(21(34)35)5-6-16(30)25-14(20(33)24-11-17(31)32)12-40-22(39-10-4-2-1-3-9-29)8-7-15(28(36)37)18-19(22)27-38-26-18/h7,13-14,29H,1-6,8-12,23H2,(H,24,33)(H,25,30)(H,31,32)(H,34,35)/t13-,14-,22+/m0/s1","","2009-04-08","2011-06-04","L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine",""],["BYH","1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione","C17 H16 N4 S2","S=C2N(c1ccccc1N2CCSc4nc3ccccc3n4)C;CN1C(=S)N(CCSc2[nH]c3ccccc3n2)c4ccccc14;CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3","InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)","","2010-11-09","2011-06-04","1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione",""],["NZU","6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C17 H19 N7 O2 S","O=S(=O)(C)CCCNc1nc(nc2c1cnn2C)c3cccc4nncc34;Cn1ncc2c(NCCC[S](C)(=O)=O)nc(nc12)c3cccc4n[nH]cc34;Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C","InChI=1S/C17H19N7O2S/c1-24-17-13(10-20-24)15(18-7-4-8-27(2,25)26)21-16(22-17)11-5-3-6-14-12(11)9-19-23-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,23)(H,18,21,22)","","2010-07-21","2011-06-04","6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["NZV","ceftriaxone, bound form","C18 H20 N8 O8 S3","O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C;CON=C(C(=O)N[CH]([CH]1NC(=C(CS1)CSC2=NC(=O)C(=O)NN2C)C(O)=O)C(O)=O)c3csc(N)n3;CN1C(=NC(=O)C(=O)N1)SCC2=C(NC(SC2)C(C(=O)O)NC(=O)C(=NOC)c3csc(n3)N)C(=O)O","InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1","","2019-05-30","2024-09-27","(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2019-08-07"],["BYI","2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid","C54 H52 N4 O16 S2","COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)OC(C)(C)C)cc7)C(O)=O)C(O)=O;CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NC2(C(C(C2c3ccc(c(c3)OC)OC(=O)c4cccs4)(C(=O)O)NC(=O)c5ccc(cc5)NC(=O)OC(C)(C)C)c6ccc(c(c6)OC)OC(=O)c7cccs7)C(=O)O","InChI=1S/C54H52N4O16S2/c1-51(2,3)73-49(67)55-33-19-13-29(14-20-33)43(59)57-53(47(63)64)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-75-39)54(48(65)66,58-44(60)30-15-21-34(22-16-30)56-50(68)74-52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-76-40/h9-28,41-42H,1-8H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,63,64)(H,65,66)/t41-,42+,53+,54-","","2022-04-01","2022-06-24","2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid","2022-06-29"],["NZW","~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide","C26 H28 N4 O4","COc1ccc(cc1)[CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3;CC(c1ccc(cc1)OC)NC(=O)C2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3","InChI=1S/C26H28N4O4/c1-17(18-9-12-20(34-2)13-10-18)28-26(33)23-8-5-15-30(23)24(31)16-27-25(32)22-14-11-19-6-3-4-7-21(19)29-22/h3-4,6-7,9-14,17,23H,5,8,15-16H2,1-2H3,(H,27,32)(H,28,33)/t17-,23-/m0/s1","","2020-01-13","2021-01-22","~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide","2021-01-27"],["BYJ","4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine","C18 H25 N3","Nc1cc(C)cc(n1)CCc2cccc(c2)CCCNC;CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC","InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)","","2017-09-05","2018-07-06","4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine","2018-07-11"],["NZX","1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one","C27 H35 N5 O","CCC(=O)N1CC2(CC(C2)n3nc(C4CCCCC4)c(c3C)c5c(C)ccc6[nH]ncc56)C1;CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)C4CCCCC4)c5c(ccc6c5cn[nH]6)C)C","InChI=1S/C27H35N5O/c1-4-23(33)31-15-27(16-31)12-20(13-27)32-18(3)25(26(30-32)19-8-6-5-7-9-19)24-17(2)10-11-22-21(24)14-28-29-22/h10-11,14,19-20H,4-9,12-13,15-16H2,1-3H3,(H,28,29)","1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)","2022-08-25","2024-09-27","1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one","2022-12-07"],["BYK","[(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","C21 H21 N2 O3 S","C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O;C[NH+](C)C1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4","InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1","","2017-11-01","2018-04-27","[(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium","2018-05-02"],["NZY","N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)","C14 H25 N O10","C(OCC1C(C(C(CO1)NC(=O)C)O)O)C2(C(C(O)C(CO)O2)O)O;CC(=O)N[CH]1CO[CH](COC[C]2(O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O;CC(=O)NC1COC(C(C1O)O)COCC2(C(C(C(O2)CO)O)O)O","InChI=1S/C14H25NO10/c1-6(17)15-7-3-24-9(11(19)10(7)18)4-23-5-14(22)13(21)12(20)8(2-16)25-14/h7-13,16,18-22H,2-5H2,1H3,(H,15,17)/t7-,8+,9+,10+,11+,12+,13-,14-/m0/s1","","2019-05-30","2020-05-22","N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)","2020-05-27"],["BYL","(3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol","C25 H29 Cl F2 N6 O2","OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3C)ncc2cc1Cl;Cc1n(ncc1Nc2ncc3cc(Cl)c(cc3n2)C4CCN(CC4)[C]5(C)COC[CH]5O)[CH]6CC6(F)F;Cc1c(cnn1C2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)C6(COCC6O)C)Cl","InChI=1S/C25H29ClF2N6O2/c1-14-20(11-30-34(14)21-9-25(21,27)28)32-23-29-10-16-7-18(26)17(8-19(16)31-23)15-3-5-33(6-4-15)24(2)13-36-12-22(24)35/h7-8,10-11,15,21-22,35H,3-6,9,12-13H2,1-2H3,(H,29,31,32)/t21-,22+,24-/m1/s1","","2021-11-18","2022-01-07","(3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol","2022-01-12"],["BYM","(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE","C11 H5 F2 N O4 S","O=C1C(SC(=O)N1)=Cc3ccc2OC(F)(F)Oc2c3;FC1(F)Oc2ccc(cc2O1)C=C3SC(=O)NC3=O;c1cc2c(cc1C=C3C(=O)NC(=O)S3)OC(O2)(F)F","InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-","","2005-07-05","2011-06-04","(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione",""],["NZZ","(2Z)-3,7-dimethylocta-2,6-dien-1-ol","C10 H18 O","C/C(C)=C/CCC(C)=[C@H]CO;CC(C)=CCCC(C)=CCO;CC(=CCCC(=CCO)C)C","InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-","nerol","2019-06-27","2021-03-01","(2Z)-3,7-dimethylocta-2,6-dien-1-ol","2020-07-01"],["O00","(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one","C19 H14 F2 N2 O2","CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccccc3;CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccccc3","InChI=1S/C19H14F2N2O2/c1-23-17(8-7-12-5-3-2-4-6-12)22-16(19(23)25)11-13-9-14(20)18(24)15(21)10-13/h2-11,24H,1H3/b8-7+,16-11-","","2023-01-20","2024-06-14","(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one","2024-06-19"],["BYN","hydroxylated prenyl-FMN","C22 H31 N4 O10 P","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](O)CC(C)(C)c(c1C)c24)C(=O)NC(=N3)O;Cc1cc2c3c(c1C)C(CC(N3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C","InChI=1S/C22H31N4O10P/c1-9-5-11-16-15(10(9)2)22(3,4)6-14(29)26(16)17-19(23-21(32)24-20(17)31)25(11)7-12(27)18(30)13(28)8-36-37(33,34)35/h5,12-14,18,27-30H,6-8H2,1-4H3,(H2,33,34,35)(H2,23,24,31,32)/t12-,13+,14+,18-/m0/s1","","2017-11-01","2017-12-15","[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5,16-bis(oxidanyl)-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9,11,13(17)-pentaen-8-yl]pentyl] dihydrogen phosphate","2017-12-20"],["BYO","(3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione","C22 H25 N O2","C[CH]1CCC[CH]2C=C[CH](C)[C]3([CH]12)C(=O)NC=C(C3=O)c4ccccc4;CC1CCCC2C1C3(C(C=C2)C)C(=O)C(=CNC3=O)c4ccccc4","InChI=1S/C22H25NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(13-23-21(22)25)16-8-4-3-5-9-16/h3-5,8-9,11-15,17,19H,6-7,10H2,1-2H3,(H,23,25)/t14-,15-,17+,19+,22+/m1/s1","","2019-03-29","2019-04-26","(3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione","2019-05-01"],["O01","[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine","C9 H12 N4 S","n2c(sc(c1cc(CN)nn1)c2C)C;Cc1sc(c(C)n1)c2cc(CN)[nH]n2;Cc1c(sc(n1)C)c2cc([nH]n2)CN","InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13)","1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine","2016-08-25","2020-06-17","1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine","2016-09-07"],["BYP","(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL","C21 H24 Br N5 O2","Brc1cnc(nc1Nc2ccccc2)Nc3ccc(OCC(O)CN(C)C)cc3;CN(C)C[CH](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1;CN(C)CC(COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O","InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m1/s1","","2002-06-11","2011-06-04","(2R)-1-(4-{[5-bromo-4-(phenylamino)pyrimidin-2-yl]amino}phenoxy)-3-(dimethylamino)propan-2-ol",""],["O02","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C11 H19 N7 O9 P2","NNc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N","InChI=1S/C11H19N7O9P2/c12-8-5-9(16-11(15-8)17-13)18(2-14-5)10-7(20)6(19)4(27-10)1-26-29(24,25)3-28(21,22)23/h2,4,6-7,10,19-20H,1,3,13H2,(H,24,25)(H2,21,22,23)(H3,12,15,16,17)/t4-,6-,7-,10-/m1/s1","","2020-01-13","2020-02-14","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-02-19"],["BYR","3-bromo-L-tyrosine","C9 H10 Br N O3","Brc1cc(ccc1O)CC(C(=O)O)N;N[CH](Cc1ccc(O)c(Br)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)Br)O","InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1","","2013-12-17","2024-09-27","3-bromo-L-tyrosine","2015-08-19"],["O04","(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide","C13 H17 N3 O2","N(/OC1OCCCC1)=Cc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(cc1)C=NO[CH]2CCCCO2;c1cc(ccc1C=NOC2CCCCO2)C(=N)N","InChI=1S/C13H17N3O2/c14-13(15)11-6-4-10(5-7-11)9-16-18-12-3-1-2-8-17-12/h4-7,9,12H,1-3,8H2,(H3,14,15)/b16-9+/t12-/m0/s1","","2009-10-08","2011-06-04","4-[(E)-{[(2S)-tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzenecarboximidamide",""],["O05","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C15 H26 N7 O9 P2","Nc1nc(nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)N4CC[NH2+]CC4;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N","InChI=1S/C15H25N7O9P2/c16-12-9-13(20-15(19-12)21-3-1-17-2-4-21)22(6-18-9)14-11(24)10(23)8(31-14)5-30-33(28,29)7-32(25,26)27/h6,8,10-11,14,17,23-24H,1-5,7H2,(H,28,29)(H2,16,19,20)(H2,25,26,27)/p+1/t8-,10-,11-,14-/m1/s1","","2020-01-13","2020-02-14","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-02-19"],["BYS","2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID","C19 H18 O6","O=C(O)C(Cc1ccccc1)C(C(=O)O)Cc2ccc3OCOc3c2;OC(=O)[CH](Cc1ccccc1)[CH](Cc2ccc3OCOc3c2)C(O)=O;c1ccc(cc1)CC(C(Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O","InChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1","","2001-07-06","2011-06-04","(2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzylbutanedioic acid",""],["O06","~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","C23 H27 F3 N4 O3","Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O;CC(C)(CCc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C)O)O","InChI=1S/C23H27F3N4O3/c1-21(2,32)10-9-19-28-16-11-13(22(3,4)33)15(12-17(16)30(19)5)29-20(31)14-7-6-8-18(27-14)23(24,25)26/h6-8,11-12,32-33H,9-10H2,1-5H3,(H,29,31)","","2022-08-25","2023-09-01","~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","2023-09-06"],["BYT","Biocytin","C16 H28 N4 O4 S","O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N;N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(O)=O;C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2","InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1","N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine","2013-08-01","2020-06-17","N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine","2014-09-10"],["O08","~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide","C26 H26 Cl F N4 O5","COc1ccc([CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)CNC(=O)c3ccc4cc(F)ccc4n3)c(Cl)c1;CC(c1ccc(cc1Cl)OC)NC(=O)C2CC(CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O","InChI=1S/C26H26ClFN4O5/c1-14(19-6-5-18(37-2)11-20(19)27)30-26(36)23-10-17(33)13-32(23)24(34)12-29-25(35)22-7-3-15-9-16(28)4-8-21(15)31-22/h3-9,11,14,17,23,33H,10,12-13H2,1-2H3,(H,29,35)(H,30,36)/t14-,17+,23-/m0/s1","","2020-01-13","2021-01-22","~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide","2021-01-27"],["BYU","N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide","C27 H24 Cl2 N6 O3","COc1cc(OC)c(Cl)c(Nc2ncccc2c3cc(Nc4c(C)cccc4NC(=O)C=C)ncn3)c1Cl;Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C","InChI=1S/C27H24Cl2N6O3/c1-5-22(36)33-17-10-6-8-15(2)25(17)34-21-12-18(31-14-32-21)16-9-7-11-30-27(16)35-26-23(28)19(37-3)13-20(38-4)24(26)29/h5-14H,1H2,2-4H3,(H,30,35)(H,33,36)(H,31,32,34)","","2019-03-29","2024-09-27","~{N}-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide","2020-05-06"],["O09","(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid","C10 H11 N3 O3","O=C(O)CON=Cc1ccc(C(=[N@H])N)cc1;NC(=N)c1ccc(cc1)C=NOCC(O)=O;c1cc(ccc1C=NOCC(=O)O)C(=N)N","InChI=1S/C10H11N3O3/c11-10(12)8-3-1-7(2-4-8)5-13-16-6-9(14)15/h1-5H,6H2,(H3,11,12)(H,14,15)/b13-5+","","2009-10-08","2011-06-04","({[(E)-(4-carbamimidoylphenyl)methylidene]amino}oxy)acetic acid",""],["BYV","3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile","C19 H24 N4","N#Cc1cc(CCCNC)cc(c1)CCc2nc(N)cc(c2)C;CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N;Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC","InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)","","2017-09-05","2018-07-06","3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile","2018-07-11"],["O0A","3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide","C28 H26 N4 O2","c5c(C2C(NC(c1cc(ccc1)C)=O)C(Nc3c2c(nn3c4ccccc4)C)=O)ccc(c5)C;Cc1ccc(cc1)[CH]2[CH](NC(=O)c3cccc(C)c3)C(=O)Nc4n(nc(C)c24)c5ccccc5;Cc1ccc(cc1)C2c3c(nn(c3NC(=O)C2NC(=O)c4cccc(c4)C)c5ccccc5)C","InChI=1S/C28H26N4O2/c1-17-12-14-20(15-13-17)24-23-19(3)31-32(22-10-5-4-6-11-22)26(23)30-28(34)25(24)29-27(33)21-9-7-8-18(2)16-21/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34)/t24-,25-/m0/s1","","2019-06-03","2019-09-06","3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide","2019-09-11"],["BYW","2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide","C18 H17 F3 N2 O4","Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO;CC(C)(O)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2;CC(C)(C(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)O","InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1","","2023-04-24","2024-03-29","2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide","2024-04-03"],["BYX","2,2'-(1,4-phenylene)bis(N-hydroxyacetamide)","C10 H12 N2 O4","O=C(NO)Cc1ccc(cc1)CC(NO)=O;ONC(=O)Cc1ccc(CC(=O)NO)cc1;c1cc(ccc1CC(=O)NO)CC(=O)NO","InChI=1S/C10H12N2O4/c13-9(11-15)5-7-1-2-8(4-3-7)6-10(14)12-16/h1-4,15-16H,5-6H2,(H,11,13)(H,12,14)","","2017-02-03","2017-09-22","2,2'-(1,4-phenylene)bis(N-hydroxyacetamide)","2017-09-27"],["O0B","(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal","C6 H10 F3 N O2","C[CH](CC(F)(F)F)[CH](N)C(O)=O;CC(CC(F)(F)F)C(C(=O)O)N","InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1","","2020-01-13","2024-09-27","(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid","2021-01-27"],["BYY","5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid","C10 H16 N2 O3 Se","O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O;OC(=O)CCCC[CH]1[Se]C[CH]2NC(=O)N[CH]12;C1C2C(C([Se]1)CCCCC(=O)O)NC(=O)N2","InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1","selenobiotin","2016-04-18","2020-06-17","5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid","2016-11-16"],["O0C","2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide","C16 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2cnccc21;Clc1cccc(CC(=O)Nc2cncc3cnccc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccnc3","InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-9-12-8-18-5-4-14(12)15/h1-6,8-10H,7H2,(H,20,21)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide","2023-11-08"],["O0D","(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid","C14 H11 Cl2 N O4","Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc(c2)Cl;C[CH](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl","InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1","","2019-06-03","2019-06-07","(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid","2019-06-12"],["BYZ","4-bromo-1H-pyrazole","C3 H3 Br N2","Brc1cnnc1;Brc1c[nH]nc1;c1c(cn[nH]1)Br","InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)","","2013-05-07","2013-05-17","4-bromo-1H-pyrazole","2013-05-22"],["O0E","(2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide","C25 H29 N7 O4","C[CH](NC(=O)[CH]1CCCN1C(=O)[CH](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N)C(N)=O;CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N","InChI=1S/C25H29N7O4/c1-14(22(27)33)30-24(35)21-7-4-8-32(21)25(36)20(11-17-12-28-13-29-17)31-23(34)18-9-15-5-2-3-6-16(15)10-19(18)26/h2-3,5-6,9-10,12-14,20-21H,4,7-8,11,26H2,1H3,(H2,27,33)(H,28,29)(H,30,35)(H,31,34)/t14-,20-,21-/m0/s1","","2020-01-13","2021-01-22","(2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide","2021-01-27"],["BZ0","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide","C18 H16 N4 O3","O=C(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3;NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3;c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N","InChI=1S/C18H16N4O3/c19-15-14(20-16(23)13-9-5-2-6-10-13)17(24)21-18(25)22(15)11-12-7-3-1-4-8-12/h1-10H,11,19H2,(H,20,23)(H,21,24,25)","","2012-07-18","2014-09-05","N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide","2013-05-29"],["BZ1","(+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE","C12 H21 N3 O5 S3","O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O)CCCOC)N;CCN[CH]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O;CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC","InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1","Brinzolamide","1999-07-08","2021-03-01","(4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["O0F","(6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide","C7 H9 N7 O4 S2","NS(=O)(=O)c1cc(c(cc1N)c1n[NH]nn1)S(N)(=O)=O;Nc1cc(c(cc1[S](N)(=O)=O)[S](N)(=O)=O)c2n[nH]nn2;c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)c2n[nH]nn2","InChI=1S/C7H9N7O4S2/c8-4-1-3(7-11-13-14-12-7)5(19(9,15)16)2-6(4)20(10,17)18/h1-2H,8H2,(H2,9,15,16)(H2,10,17,18)(H,11,12,13,14)","","2022-04-14","2023-03-03","(6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide","2023-03-08"],["BZ2","1-benzofuran-2-carboxylic acid","C9 H6 O3","O=C(O)c2oc1ccccc1c2;OC(=O)c1oc2ccccc2c1;c1ccc2c(c1)cc(o2)C(=O)O","InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)","","2009-08-11","2024-10-18","1-benzofuran-2-carboxylic acid",""],["O0G","(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol","C8 H10 Cl F N2 O","n1c(c(cc(c1)Cl)F)NC(C)CO;C[CH](CO)Nc1ncc(Cl)cc1F;CC(CO)Nc1c(cc(cn1)Cl)F","InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1","","2019-06-04","2019-08-16","(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol","2019-08-21"],["BZ3","5-methoxy-1H-indole","C9 H9 N O","O(c1cc2c(cc1)ncc2)C;COc1ccc2[nH]ccc2c1;COc1ccc2c(c1)cc[nH]2","InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3","","2009-08-11","2011-06-04","5-methoxy-1H-indole",""],["O0H","~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","C23 H25 F3 N6 O3","CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F;CCOc1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)CC(=O)N4CCN(CC4)C","InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34)","","2022-08-25","2023-11-24","~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide","2023-11-29"],["BZ4","N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-N-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide","C31 H25 Cl N6 O10","c6(CN(Cc1nc(co1)C(N)=O)C(c5nc(CN(Cc2ccc3c(c2)OCO3)C(=O)c4nc(CCl)oc4)oc5)=O)ccc7c(c6)OCO7;NC(=O)c1coc(CN(Cc2ccc3OCOc3c2)C(=O)c4coc(CN(Cc5ccc6OCOc6c5)C(=O)c7coc(CCl)n7)n4)n1;c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2","InChI=1S/C31H25ClN6O10/c32-7-26-35-20(13-42-26)30(40)38(9-18-2-4-23-25(6-18)48-16-46-23)11-28-36-21(14-44-28)31(41)37(10-27-34-19(12-43-27)29(33)39)8-17-1-3-22-24(5-17)47-15-45-22/h1-6,12-14H,7-11,15-16H2,(H2,33,39)","","2017-09-05","2018-08-03","N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-N-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide","2018-08-08"],["O0J","N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide","C11 H11 N3 O S","Nc2nc(c1ccc(cc1)NC(C)=O)cs2;CC(=O)Nc1ccc(cc1)c2csc(N)n2;CC(=O)Nc1ccc(cc1)c2csc(n2)N","InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)","","2019-06-04","2019-08-16","N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide","2019-08-21"],["O0L","(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol","C14 H12 N4 O2","OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1;OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3;c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO","InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)","","2022-04-14","2023-03-03","(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol","2023-03-08"],["BZ5","(1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid","C16 H16 O6 S","O=C(O)C1(O)CC(O)C(O)C(=O)C1Cc3cc2c(scc2)cc3;O[CH]1C[C](O)([CH](Cc2ccc3sccc3c2)C(=O)[CH]1O)C(O)=O;c1cc2c(ccs2)cc1CC3C(=O)C(C(CC3(C(=O)O)O)O)O","InChI=1S/C16H16O6S/c17-11-7-16(22,15(20)21)10(13(18)14(11)19)6-8-1-2-12-9(5-8)3-4-23-12/h1-5,10-11,14,17,19,22H,6-7H2,(H,20,21)/t10-,11+,14-,16+/m0/s1","","2012-08-14","2014-09-05","(1R,2R,4S,5R)-2-(1-benzothiophen-5-ylmethyl)-1,4,5-trihydroxy-3-oxocyclohexanecarboxylic acid","2012-12-14"],["O0M","1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol","C15 H23 N O","c1c(C(C)C)ccc(c1)CN2CCC(O)CC2;CC(C)c1ccc(CN2CCC(O)CC2)cc1;CC(C)c1ccc(cc1)CN2CCC(CC2)O","InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3","","2019-06-04","2019-08-16","1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol","2019-08-21"],["BZ6","4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole","C20 H18 N4 O","COc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4;COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4","InChI=1S/C20H18N4O/c1-25-19-9-7-16(8-10-19)20-17(13-23-12-11-21-15-23)14-24(22-20)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3","","2017-08-09","2018-03-23","4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole","2018-03-28"],["BZ7","N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide","C32 H38 N4 O4","N(C(CC(NC(C)(C)C)=O)C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)C(CCc3ccccc3)=O;CC(C)(C)NC(=O)C[CH](NC(=O)CCc1ccccc1)C(=O)NCCNC(=O)c2cccc(c2)c3ccccc3;CC(C)(C)NC(=O)CC(C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3","InChI=1S/C32H38N4O4/c1-32(2,3)36-29(38)22-27(35-28(37)18-17-23-11-6-4-7-12-23)31(40)34-20-19-33-30(39)26-16-10-15-25(21-26)24-13-8-5-9-14-24/h4-16,21,27H,17-20,22H2,1-3H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t27-/m0/s1","PKS21004","2017-09-05","2020-06-17","N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide","2017-12-06"],["O0O","2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","C20 H28 Cl2 N4 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27)","","2022-08-25","2024-09-27","2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["BZ8","4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL","C16 H13 Cl N2 O3 S","Clc3c(O)cc(O)c(c1nnsc1c2ccc(OCC)cc2)c3;CCOc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O;CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl","InChI=1S/C16H13ClN2O3S/c1-2-22-10-5-3-9(4-6-10)16-15(18-19-23-16)11-7-12(17)14(21)8-13(11)20/h3-8,20-21H,2H2,1H3","","2011-05-10","2012-05-11","4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol",""],["O0P","N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide","C8 H11 F N2 O2 S","NS(N(C)Cc1cc(ccc1)F)(=O)=O;CN(Cc1cccc(F)c1)[S](N)(=O)=O;CN(Cc1cccc(c1)F)S(=O)(=O)N","InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)","","2019-06-04","2019-08-16","N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide","2019-08-21"],["O0Q","~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide","C13 H14 N4 O","O=C(NCCn1ccnn1)C23C4C5C6C4C2C6C35;c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36","InChI=1S/C13H14N4O/c18-12(14-1-3-17-4-2-15-16-17)13-9-6-5-7(9)11(13)8(5)10(6)13/h2,4-11H,1,3H2,(H,14,18)/t5-,6+,7-,8+,9+,10-,11+,13+","","2020-01-14","2020-07-10","~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide","2020-07-15"],["BZ9","N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine","C28 H23 N7 O","n1ccc(nc1NC)c6cccnc6Oc3c2c(cccc2)c(cc3C)Nc5nc4ccccc4n5;CNc1nccc(n1)c2cccnc2Oc3c(C)cc(Nc4[nH]c5ccccc5n4)c6ccccc36;Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5","InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)","","2008-05-30","2011-06-04","N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine",""],["O0R","2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide","C16 H15 Cl N2 O","O=C(Nc1cnccc1C1CC1)Cc1cccc(Cl)c1;Clc1cccc(CC(=O)Nc2cnccc2C3CC3)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C3CC3","InChI=1S/C16H15ClN2O/c17-13-3-1-2-11(8-13)9-16(20)19-15-10-18-7-6-14(15)12-4-5-12/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide","2023-11-08"],["BZA","1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL","C18 H16 O3","OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O;O[CH]1Cc2c(ccc3cc4ccccc4cc23)[CH](O)[CH]1O;c1ccc2cc3c(ccc4c3CC(C(C4O)O)O)cc2c1","InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1","","1999-07-08","2011-06-04","(2S,3S,4S)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol",""],["O0S","N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide","C12 H11 N3 O2","n1cccnc1Oc2ccc(NC(C)=O)cc2;CC(=O)Nc1ccc(Oc2ncccn2)cc1;CC(=O)Nc1ccc(cc1)Oc2ncccn2","InChI=1S/C12H11N3O2/c1-9(16)15-10-3-5-11(6-4-10)17-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,16)","","2019-06-04","2019-08-16","N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide","2019-08-21"],["BZB","BENZO[B]THIOPHENE-2-BORONIC ACID","C8 H7 B O2 S","OB(O)c2sc1ccccc1c2;OB(O)c1sc2ccccc2c1;B(c1cc2ccccc2s1)(O)O","InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H","","1999-08-05","2024-09-27","1-benzothiophen-2-ylboronic acid",""],["BZC","2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE","C15 H13 N3 O2","O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N;COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2;COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N","InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)","","2000-02-16","2011-06-04","2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide",""],["O0U","2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide","C22 H16 Cl N3 O4","CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2;CCc1ccc(cc1)c2nc3cc(ccc3o2)NC(=O)c4cc(ccc4Cl)N(=O)=O","InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)","","2022-08-25","2024-09-27","2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide","2022-11-09"],["O0V","(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol","C9 H13 F N2 O","n1c(N(C(C)CO)C)c(ccc1)F;C[CH](CO)N(C)c1ncccc1F;CC(CO)N(C)c1c(cccn1)F","InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1","","2019-06-04","2019-08-16","(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol","2019-08-21"],["BZD","N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine","C14 H18 N2 O7","O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccccc2;OC[CH]1O[CH](NC(=O)NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1","N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA; N-[(phenylcarbonyl)carbamoyl]-beta-D-glucosylamine;\nN-[(phenylcarbonyl)carbamoyl]-D-glucosylamine; N-[(phenylcarbonyl)carbamoyl]-glucosylamine","2001-09-20","2020-07-17","N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine",""],["BZE","6-phenyl-1,3,5-triazine-2,4-diamine","C9 H9 N5","n1c(nc(nc1c2ccccc2)N)N;Nc1nc(N)nc(n1)c2ccccc2;c1ccc(cc1)c2nc(nc(n2)N)N","InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)","BENZOGUANAMINE","2013-05-10","2020-06-17","6-phenyl-1,3,5-triazine-2,4-diamine","2013-05-22"],["O0W","5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one","C21 H22 N4 O2","CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O;Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C","InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3","","2020-01-15","2020-08-07","5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one","2020-08-12"],["O0X","2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide","C16 H12 Cl N3 O","Clc1cccc(c1)CC(=O)Nc1cncc2ncccc21;Clc1cccc(CC(=O)Nc2cncc3ncccc23)c1;c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccn3","InChI=1S/C16H12ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1-7,9-10H,8H2,(H,20,21)","","2023-08-16","2023-11-03","2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide","2023-11-08"],["BZF","BENZOFURAN","C8 H6 O","o2c1ccccc1cc2;o1ccc2ccccc12;c1ccc2c(c1)cco2","InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H","","1999-07-08","2011-06-04","1-benzofuran",""],["O0Y","3-(diethylamino)phenol","C10 H15 N O","c1(N(CC)CC)cccc(c1)O;CCN(CC)c1cccc(O)c1;CCN(CC)c1cccc(c1)O","InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3","","2019-06-04","2019-08-16","3-(diethylamino)phenol","2019-08-21"],["BZG","6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE","C17 H20 N5 O7 P","O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCc1ccccc1)N)CC4O;Nc1nc(OCc2ccccc2)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3n1;c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1","O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","2007-01-17","2021-03-01","6-(benzyloxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine",""],["O0Z","(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide","C30 H42 N4 O","CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CCCN(CC3)Cc4ccccc4;CCCCNC(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCN(CC3)Cc4ccccc4","InChI=1S/C30H42N4O/c1-2-3-17-31-29(21-26-22-33-28-14-8-7-13-27(26)28)30(35)32-18-15-24-12-9-19-34(20-16-24)23-25-10-5-4-6-11-25/h4-8,10-11,13-14,22,24,29,31,33H,2-3,9,12,15-21,23H2,1H3,(H,32,35)/t24-,29+/m1/s1","","2020-01-16","2020-10-23","(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide","2020-10-28"],["BZH","5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID","C12 H14 N4 O3","O=C(O)CCCC(=O)Nc2cc1c(nc(n1)N)cc2;Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1;c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N","InChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16)","","2006-11-16","2011-06-04","5-[(2-amino-1H-benzimidazol-6-yl)amino]-5-oxopentanoic acid",""],["BZI","BENZIMIDAZOLE","C7 H6 N2","n2c1ccccc1nc2;[nH]1cnc2ccccc12;c1ccc2c(c1)[nH]cn2","InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)","","1999-07-08","2011-06-04","1H-benzimidazole",""],["O10","(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine","C10 H5 Br Cl N5","Brc1cnc(Cl)nc1n1ccc2ncncc21;Clc1ncc(Br)c(n1)n2ccc3ncncc23;c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Br","InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H","","2022-04-15","2024-09-27","(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine","2022-07-06"],["BZJ","3-hydroxynaphthalene-2-carboxylic acid","C11 H8 O3","C(c1c(cc2c(c1)cccc2)O)(O)=O;OC(=O)c1cc2ccccc2cc1O;c1ccc2cc(c(cc2c1)C(=O)O)O","InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)","","2017-09-06","2018-09-07","3-hydroxynaphthalene-2-carboxylic acid","2018-09-12"],["O11","(2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol","C26 H38 O5","O(c1ccc(cc1)C(c2ccc(OCC(O)C(C)(C)C)cc2)(CC)CC)CC(O)CO;CCC(CC)(c1ccc(OC[CH](O)CO)cc1)c2ccc(OC[CH](O)C(C)(C)C)cc2;CCC(CC)(c1ccc(cc1)OCC(CO)O)c2ccc(cc2)OCC(C(C)(C)C)O","InChI=1S/C26H38O5/c1-6-26(7-2,19-8-12-22(13-9-19)30-17-21(28)16-27)20-10-14-23(15-11-20)31-18-24(29)25(3,4)5/h8-15,21,24,27-29H,6-7,16-18H2,1-5H3/t21-,24-/m0/s1","","2013-05-24","2013-10-04","(2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol","2013-10-09"],["O12","N~5~-dodecanoyl-L-ornithine","C17 H34 N2 O3","O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)NCCC[CH](N)C(O)=O;CCCCCCCCCCCC(=O)NCCCC(C(=O)O)N","InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1","","2008-02-25","2024-09-27","N~5~-dodecanoyl-L-ornithine",""],["BZK","(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid","C11 H21 N O4","CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O;CCC(=O)CC(CC(C)CC(C(=O)O)N)O","InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1","","2017-11-01","2024-09-27","(2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid","2018-07-18"],["BZM","BENZOIC ACID PHENYLMETHYLESTER","C14 H12 O2","O=C(OCc1ccccc1)c2ccccc2;O=C(OCc1ccccc1)c2ccccc2;c1ccc(cc1)COC(=O)c2ccccc2","InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2","","2000-03-06","2011-06-04","benzyl benzoate",""],["O13","(E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide","C14 H20 N4 O","N(/OC1CCCN(C)C1)=Cc2ccc(C(=[N@H])N)cc2;CN1CCC[CH](C1)ON=Cc2ccc(cc2)C(N)=N;CN1CCCC(C1)ON=Cc2ccc(cc2)C(=N)N","InChI=1S/C14H20N4O/c1-18-8-2-3-13(10-18)19-17-9-11-4-6-12(7-5-11)14(15)16/h4-7,9,13H,2-3,8,10H2,1H3,(H3,15,16)/b17-9+/t13-/m1/s1","","2009-10-08","2011-06-04","4-[(E)-({[(3R)-1-methylpiperidin-3-yl]oxy}imino)methyl]benzenecarboximidamide",""],["BZN","N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide","C23 H32 N2 O3 S","O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2;CC(C)CN(C[CH]1CNC[CH]1COCc2ccccc2)[S](=O)(=O)c3ccccc3;CC(C)CN(CC1CNCC1COCc2ccccc2)S(=O)(=O)c3ccccc3","InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1","N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide","2007-12-05","2020-06-17","N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide",""],["O14","(E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide","C14 H20 N4 O","N(/OC1CCN(C)CC1)=Cc2ccc(C(=[N@H])N)cc2;CN1CCC(CC1)ON=Cc2ccc(cc2)C(N)=N;CN1CCC(CC1)ON=Cc2ccc(cc2)C(=N)N","InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+","","2009-10-08","2011-06-04","4-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide",""],["BZO","CARBOBENZOXY GROUP","C8 H8 O2","O=COCc1ccccc1;O=COCc1ccccc1;c1ccc(cc1)COC=O","InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2","","1999-07-08","2008-10-14","benzyl formate",""],["O15","(E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid","C12 H15 N3 O3","O=C(O)C(ON=Cc1ccc(C(=[N@H])N)cc1)(C)C;CC(C)(ON=Cc1ccc(cc1)C(N)=N)C(O)=O;CC(C)(C(=O)O)ON=Cc1ccc(cc1)C(=N)N","InChI=1S/C12H15N3O3/c1-12(2,11(16)17)18-15-7-8-3-5-9(6-4-8)10(13)14/h3-7H,1-2H3,(H3,13,14)(H,16,17)/b15-7+","","2009-10-13","2011-06-04","2-({[(E)-(4-carbamimidoylphenyl)methylidene]amino}oxy)-2-methylpropanoic acid",""],["O16","3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM","C24 H16 N7 O2 S","O=C2c1cc(ccc1C(=O)NN2)[n+]5nc(nn5c3nc4ccccc4s3)C=Cc6ccccc6;O=C1NNC(=O)c2cc(ccc12)[n+]3nc(C=Cc4ccccc4)nn3c5sc6ccccc6n5;c1ccc(cc1)C=Cc2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5","InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+","2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE","2003-11-13","2020-06-17","2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium",""],["BZP","N1-CARBOXYPIPERAZINE","C5 H10 N2 O2","O=C(O)N1CCNCC1;OC(=O)N1CCNCC1;C1CN(CCN1)C(=O)O","InChI=1S/C5H10N2O2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)","","1999-07-08","2011-06-04","piperazine-1-carboxylic acid",""],["O17","(2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide","C30 H35 N7 O3","O=C(NCCOC)C=Cc1ccc(cc1OCC#N)Nc5nc(NC42CC3CC(CC(C2)C3)C4)c(C#N)c(c5)N;COCCNC(=O)C=Cc1ccc(Nc2cc(N)c(C#N)c(NC34CC5CC(CC(C5)C3)C4)n2)cc1OCC#N;COCCNC(=O)C=Cc1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N","InChI=1S/C30H35N7O3/c1-39-9-7-34-28(38)5-3-22-2-4-23(13-26(22)40-8-6-31)35-27-14-25(33)24(18-32)29(36-27)37-30-15-19-10-20(16-30)12-21(11-19)17-30/h2-5,13-14,19-21H,7-12,15-17H2,1H3,(H,34,38)(H4,33,35,36,37)/b5-3+/t19-,20+,21-,30-","","2014-09-11","2015-04-03","(2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide","2015-04-08"],["BZQ","DIPHENYLMETHANONE","C13 H10 O","O=C(c1ccccc1)c2ccccc2;O=C(c1ccccc1)c2ccccc2;c1ccc(cc1)C(=O)c2ccccc2","InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H","BENZENE, BENZOYL-; BENZOPHENONE (8CI); BENZOYLBENZENE; DIPHENYL KETONE; KETONE, DIPHENYL; METHANONE, DIPHENYL- (9CI);\nPHENYL KETONE; WLN: RVR","2000-03-08","2020-06-17","diphenylmethanone",""],["O18","O-palmitoleoyl serine","C19 H35 N O4","CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O;CCCCCCC=CCCCCCCCC(=O)OCC(C(=O)O)N","InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1","(2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid","2020-01-17","2025-07-24","(2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid","2020-07-29"],["BZR","1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL","C18 H16 O3","OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O;O[CH]1Cc2c(ccc3cc4ccccc4cc23)[CH](O)[CH]1O;c1ccc2cc3c(ccc4c3CC(C(C4O)O)O)cc2c1","InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m1/s1","","2000-11-20","2011-06-04","(2R,3R,4R)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol",""],["O19","(2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide","C25 H28 N6 O2","O=C(Nc1ccc(cc1)c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)C5NCCC5;O=C(Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)[CH]5CCCN5;c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)C5CCCN5","InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1","","2012-09-21","2014-09-05","N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]-D-prolinamide","2012-11-16"],["BZS","L-BENZYLSUCCINIC ACID","C11 H12 O4","O=C(O)CC(C(=O)O)Cc1ccccc1;OC(=O)C[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(CC(=O)O)C(=O)O","InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-benzylbutanedioic acid",""],["O1A","N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide","C13 H19 N3 O","N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O;CN1CCN(CC1)c2ccc(NC(C)=O)cc2;CC(=O)Nc1ccc(cc1)N2CCN(CC2)C","InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)","","2019-06-04","2019-08-16","N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide","2019-08-21"],["BZT","3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL","C32 H35 Br N2 O2 S","Brc1c(ccc(c1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3CCCC3)cc4)CN6CCCC6;Oc1ccc2c(Cc3ccc(CN4CCCC4)c(Br)c3)c(sc2c1)c5ccc(OCCN6CCCC6)cc5;c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6","InChI=1S/C32H35BrN2O2S/c33-30-20-23(5-6-25(30)22-35-15-3-4-16-35)19-29-28-12-9-26(36)21-31(28)38-32(29)24-7-10-27(11-8-24)37-18-17-34-13-1-2-14-34/h5-12,20-21,36H,1-4,13-19,22H2","","1999-10-04","2011-06-04","3-[3-bromo-4-(pyrrolidin-1-ylmethyl)benzyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-6-ol",""],["O1B","(2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate","C7 H17 N2 O8 P","NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(CNC(=O)C(C(C(COP(=O)(O)O)O)O)O)N","InChI=1S/C7H17N2O8P/c8-1-2-9-7(13)6(12)5(11)4(10)3-17-18(14,15)16/h4-6,10-12H,1-3,8H2,(H,9,13)(H2,14,15,16)/t4-,5-,6+/m1/s1","","2020-01-20","2020-07-24","[(2~{R},3~{R},4~{S})-5-(2-azanylethylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate","2020-07-29"],["BZU","(4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide","C12 H21 N3 O5 S3","O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOCC)S2(=O)=O)N;CCN[CH]1CN(CCOCC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O;CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC","InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-6-20-4-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1","","2001-03-28","2011-06-04","(4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["BZV","tetracosanoic acid","C24 H48 O2","CCCCCCCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)","lignoceric acid","2022-04-01","2023-03-24","tetracosanoic acid","2023-03-29"],["O1C","2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3","C30 H50 O4","OC1CC(C(=C)C(O)C1CCCO)=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23;C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](CCCO)[CH](O)C3=C;CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)CCCO)O)C","InChI=1S/C30H50O4/c1-20(9-6-16-29(3,4)34)25-14-15-26-22(10-7-17-30(25,26)5)12-13-23-19-27(32)24(11-8-18-31)28(33)21(23)2/h12-13,20,24-28,31-34H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24+,25-,26+,27-,28-,30-/m1/s1","9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPYL)-,(1A,2A,3B,5Z,7E)","2006-06-20","2021-03-13","(1S,2S,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropyl)-9,10-secocholesta-5,7,10-triene-1,3,25-triol",""],["O1D","3-(benzyloxy)aniline","C13 H13 N O","c2(OCc1ccccc1)cc(N)ccc2;Nc1cccc(OCc2ccccc2)c1;c1ccc(cc1)COc2cccc(c2)N","InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2","","2019-06-04","2019-08-16","3-(benzyloxy)aniline","2019-08-21"],["BZW","4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","C20 H23 N3 O4 S","CC(=O)N1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O;CC(=O)N1CCN(CC1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1","","2017-11-02","2018-06-01","4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide","2018-06-06"],["O1E","5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine","C13 H14 N4 S","CCc1sc(NCc2ccc3[nH]ccc3c2)nn1;CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3","InChI=1S/C13H14N4S/c1-2-12-16-17-13(18-12)15-8-9-3-4-11-10(7-9)5-6-14-11/h3-7,14H,2,8H2,1H3,(H,15,17)","5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine","2020-01-20","2021-01-22","5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine","2021-01-27"],["BZX","1,3-benzodioxol-5-ol","C7 H6 O3","O1c2ccc(O)cc2OC1;Oc1ccc2OCOc2c1;c1cc2c(cc1O)OCO2","InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2","","2010-09-28","2011-06-04","1,3-benzodioxol-5-ol",""],["O1F","(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","C12 H11 N O4 S2","COc1cc(C=C2SC(=S)NC2=O)c(OC)cc1O;COc1cc(c(cc1O)OC)C=C2C(=O)NC(=S)S2","InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)/b10-4-","","2022-08-25","2022-11-18","(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one","2022-11-23"],["BZY","(2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide","C21 H27 N5 O3","O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(N)CCc2ccc(O)cc2)C;C[CH](NC(=O)[CH](N)CCc1ccc(O)cc1)C(=O)NCc2ccc(cc2)C(N)=N;CC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(CCc2ccc(cc2)O)N","InChI=1S/C21H27N5O3/c1-13(20(28)25-12-15-2-7-16(8-3-15)19(23)24)26-21(29)18(22)11-6-14-4-9-17(27)10-5-14/h2-5,7-10,13,18,27H,6,11-12,22H2,1H3,(H3,23,24)(H,25,28)(H,26,29)/t13-,18+/m0/s1","","2013-09-23","2014-12-19","(2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide","2014-12-24"],["O1G","3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco\npyranose","C14 H22 N2 O13 P2","O=P(O)(O)OCc1cnc(c(O)c1/C=N/C2C(O)C(OC(O)C2O)COP(=O)(O)O)C;Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]2[CH](O)[CH](O)O[CH](CO[P](O)(O)=O)[CH]2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)O)COP(=O)(O)O)O)O","InChI=1S/C14H22N2O13P2/c1-6-11(17)8(7(2-15-6)4-27-30(21,22)23)3-16-10-12(18)9(5-28-31(24,25)26)29-14(20)13(10)19/h2-3,9-10,12-14,17-20H,4-5H2,1H3,(H2,21,22,23)(H2,24,25,26)/b16-3+/t9-,10+,12-,13-,14+/m1/s1","3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco\nse;\n3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-D-glucose;\n3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-glucose","2013-04-10","2020-07-17","3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco\npyranose","2013-10-16"],["BZZ","BENZYLHYDRAZINE","C7 H10 N2","NNCc1ccccc1;NNCc1ccccc1;c1ccc(cc1)CNN","InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2","","2006-11-30","2011-06-04","benzylhydrazine",""],["C00","2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione","C21 H15 N O3","O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)C;Cc1cccc2C(=O)N(C(=O)c12)c3cc(ccc3O)c4ccccc4;Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4","InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3","","2008-01-17","2011-06-04","2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione",""],["O1H","4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile","C24 H15 Cl N8","Clc1cc(cc2n(nnc12)c3ccc4cn[nH]c4c3)c5ccnn5Cc6ccc(cc6)C#N;c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N","InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)","","2020-01-21","2020-04-17","4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile","2020-04-22"],["C01","(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE","C25 H30 N O5","[O-]C(=O)C(Oc2c(cc1c(ON(C1=O)C)c2CCC)CCC)c3ccc(cc3)C(C)C;CCCc1cc2C(=O)N(C)Oc2c(CCC)c1O[CH](C([O-])=O)c3ccc(cc3)C(C)C;CCCc1cc2c(c(c1OC(c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C","InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/p-1/t22-/m0/s1","ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST","2005-04-26","2020-06-17","(2S)-[4-(1-methylethyl)phenyl][(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]ethanoate",""],["O1I","(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide","C15 H15 Cl N2 O2","O=C(Nc1cnccc1C)C(CO)c1cccc(Cl)c1;Cc1ccncc1NC(=O)[CH](CO)c2cccc(Cl)c2;Cc1ccncc1NC(=O)C(CO)c2cccc(c2)Cl","InChI=1S/C15H15ClN2O2/c1-10-5-6-17-8-14(10)18-15(20)13(9-19)11-3-2-4-12(16)7-11/h2-8,13,19H,9H2,1H3,(H,18,20)/t13-/m1/s1","","2023-08-16","2023-11-03","(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["C02","4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE","C22 H21 N5 O2 S","O=S(=O)(c1ccccc1)Nc4ccc2c(nc(n2C)Cc3ccc(C(=[N@H])N)cc3)c4;Cn1c(Cc2ccc(cc2)C(N)=N)nc3cc(N[S](=O)(=O)c4ccccc4)ccc13;Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4","InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24)","","2002-01-18","2011-06-04","4-({1-methyl-5-[(phenylsulfonyl)amino]-1H-benzimidazol-2-yl}methyl)benzenecarboximidamide",""],["O1J","(benzyloxy)acetic acid","C9 H10 O3","c1ccccc1COCC(=O)O;OC(=O)COCc1ccccc1;c1ccc(cc1)COCC(=O)O","InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)","","2019-06-04","2019-08-16","(benzyloxy)acetic acid","2019-08-21"],["O1K","(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine","C10 H5 Cl2 N5","Clc1cnc(Cl)nc1n1ccc2ncncc21;Clc1ncc(Cl)c(n1)n2ccc3ncncc23;c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Cl","InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H","","2022-04-15","2024-09-27","(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine","2022-07-06"],["C03","(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID","C28 H22 Cl F3 N2 O6","O=C(O)C(Oc1cc(c(Cl)cc1)Cn5c2cc(OC(F)(F)F)ccc2c(c4noc3cc(OC)ccc34)c5C)C;COc1ccc2c(onc2c3c(C)n(Cc4cc(O[CH](C)C(O)=O)ccc4Cl)c5cc(OC(F)(F)F)ccc35)c1;Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)OC(C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC","InChI=1S/C28H22ClF3N2O6/c1-14-25(26-21-8-4-17(37-3)12-24(21)40-33-26)20-7-5-19(39-28(30,31)32)11-23(20)34(14)13-16-10-18(6-9-22(16)29)38-15(2)27(35)36/h4-12,15H,13H2,1-3H3,(H,35,36)/t15-/m1/s1","","2007-04-05","2011-06-04","(2R)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl}phenoxy)propanoic acid",""],["C04","(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","C16 H15 N5 O7 S2","O=C(O)CON=C(c1nc(sc1)N)C(=O)NC3C(=O)N2C(=C(C=C)CSC23)C(=O)O;Nc1scc(n1)C(=NOCC(O)=O)C(=O)N[CH]2[CH]3SCC(=C(N3C2=O)C(O)=O)C=C;C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)c3csc(n3)N)SC1)C(=O)O","InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1","Cefixime","2013-05-13","2021-03-01","(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2013-06-05"],["O1L","1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one","C21 H17 Cl2 N O2","Clc1ccc(CN2C=CC(O)=C(C/C=C/c3ccccc3)C2=O)c(Cl)c1;OC1=C(CC=Cc2ccccc2)C(=O)N(Cc3ccc(Cl)cc3Cl)C=C1;c1ccc(cc1)C=CCC2=C(C=CN(C2=O)Cc3ccc(cc3Cl)Cl)O","InChI=1S/C21H17Cl2NO2/c22-17-10-9-16(19(23)13-17)14-24-12-11-20(25)18(21(24)26)8-4-7-15-5-2-1-3-6-15/h1-7,9-13,25H,8,14H2/b7-4+","","2023-05-05","2023-06-09","1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one","2023-06-14"],["O1M","4-(4-fluorophenyl)piperazine-1-carboxamide","C11 H14 F N3 O","N2(C(N)=O)CCN(c1ccc(cc1)F)CC2;NC(=O)N1CCN(CC1)c2ccc(F)cc2;c1cc(ccc1N2CCN(CC2)C(=O)N)F","InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)","","2019-06-04","2019-08-16","4-(4-fluorophenyl)piperazine-1-carboxamide","2019-08-21"],["C05","(2~{R})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{N}-(furan-2-ylmethyl)propanamide","C14 H19 N5 O2 S","C[CH](Sc1nnnn1C2CCCC2)C(=O)NCc3occc3;CC(C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3","InChI=1S/C14H19N5O2S/c1-10(13(20)15-9-12-7-4-8-21-12)22-14-16-17-18-19(14)11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,20)/t10-/m1/s1","","2017-11-03","2018-02-02","(2~{R})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{N}-(furan-2-ylmethyl)propanamide","2018-02-07"],["O1N","dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II)","C19 H20 Cl2 N2 Os","CC(C)[C]12CC[C](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C;CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl","InChI=1S/C10H14.C9H10N2.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h4-8H,1-3H3;3-6H,1-2H3;2*1H;/q;;;;+2/p-2","","2019-07-03","2020-11-20","","2020-11-25"],["C06","[[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","C16 H25 N5 O15 P2","C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O","InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11+,14-,15+/m1/s1","","2019-04-02","2019-06-21","[[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R},6~{R})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","2019-06-26"],["O1O","1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione","C21 H19 F3 N2 O7 S","CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)C3=C(O)CCCC3=O;Cc1c(ccc(c1N2C(=O)C=C(N(C2=O)C)C(F)(F)F)S(=O)(=O)C)C(=O)C3=C(CCCC3=O)O","InChI=1S/C21H19F3N2O7S/c1-10-11(19(30)17-12(27)5-4-6-13(17)28)7-8-14(34(3,32)33)18(10)26-16(29)9-15(21(22,23)24)25(2)20(26)31/h7-9,27H,4-6H2,1-3H3","","2023-01-20","2023-12-15","1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione","2023-12-20"],["C07","1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one","C18 H18 N4 O2","O=C2C4=C(c1c(ncnc1N2c3cc(O)ccc3C)N)CCCC4;Cc1ccc(O)cc1N2C(=O)C3=C(CCCC3)c4c(N)ncnc24;Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O","InChI=1S/C18H18N4O2/c1-10-6-7-11(23)8-14(10)22-17-15(16(19)20-9-21-17)12-4-2-3-5-13(12)18(22)24/h6-9,23H,2-5H2,1H3,(H2,19,20,21)","","2012-07-25","2012-10-19","1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one","2012-10-19"],["C08","difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron","C22 H31 B F2 N2 O2","F[B-]3(F)[N+]=1C(C=CC=1CCCCC(=O)O)=Cc2ccc(n23)CCCCCCCC;CCCCCCCCc1ccc2C=C3C=CC(=[N+]3[B-](F)(F)n12)CCCCC(O)=O;[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F","InChI=1S/C22H31BF2N2O2/c1-2-3-4-5-6-7-10-18-13-15-20-17-21-16-14-19(11-8-9-12-22(28)29)27(21)23(24,25)26(18)20/h13-17H,2-12H2,1H3,(H,28,29)","4,4-difluoro-5-octyl-4-bora-3a,4a-diaza-s-indacene-3-pentanoic acid","2008-03-17","2021-03-13","difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron",""],["O1Q","4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole","C23 H16 Cl N7","Cc1cccc(c1)n2nccc2c3cc(Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3;Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5","InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)","","2020-01-21","2020-04-17","4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole","2020-04-22"],["O1R","(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile","C12 H6 Cl N5","N#Cc1ccc(Cl)nc1n1ccc2ncncc21;Clc1ccc(C#N)c(n1)n2ccc3ncncc23;c1cc(nc(c1C#N)n2ccc3c2cncn3)Cl","InChI=1S/C12H6ClN5/c13-11-2-1-8(5-14)12(17-11)18-4-3-9-10(18)6-15-7-16-9/h1-4,6-7H","","2022-04-15","2024-09-27","(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile","2022-07-06"],["C09","2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine","C13 H14 N4 O","n3c1ccccc1c2c(nc(n2)COCC)c3N;CCOCc1[nH]c2c3ccccc3nc(N)c2n1;CCOCc1[nH]c2c3ccccc3nc(c2n1)N","InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)","CL097","2013-01-22","2020-06-17","2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine","2013-04-03"],["O1S","6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one","C15 H17 N5 O S","n1c(c(cn1)c2sc4c(c2)N=C(CN3CCCC3)NC4=O)C;Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)CN4CCCC4;Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4","InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)","","2019-06-04","2020-01-10","6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one","2020-01-15"],["C0A","3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide","C12 H16 Br F2 N2 O6 P S","Brc1cc(ccc1C(F)(F)P(=O)(O)O)CC(C(=O)NC)NS(=O)(=O)C;CNC(=O)[CH](Cc1ccc(c(Br)c1)C(F)(F)[P](O)(O)=O)N[S](C)(=O)=O;CNC(=O)C(Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C","InChI=1S/C12H16BrF2N2O6PS/c1-16-11(18)10(17-25(2,22)23)6-7-3-4-8(9(13)5-7)12(14,15)24(19,20)21/h3-5,10,17H,6H2,1-2H3,(H,16,18)(H2,19,20,21)/t10-/m0/s1","","2015-02-09","2015-07-31","3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide","2015-08-05"],["O1T","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","C20 H24 Cl F N4 O9 P2","C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccc(F)cc4;CC(c1ccc(cc1)F)Nc2cc(nc3c2cnn3C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl","InChI=1S/C20H24ClFN4O9P2/c1-10(11-2-4-12(22)5-3-11)24-14-6-16(21)25-19-13(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1","","2020-01-21","2020-04-17","[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid","2020-04-22"],["C0C","1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide","C26 H30 Cl N3 O3","O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(CCCC1)c1ccc(Cl)cc1;CNC(=O)c1cccc(CNC(=O)[CH]2CCCN2C(=O)C3(CCCC3)c4ccc(Cl)cc4)c1;CNC(=O)c1cccc(c1)CNC(=O)C2CCCN2C(=O)C3(CCCC3)c4ccc(cc4)Cl","InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1","","2021-11-18","2022-11-04","1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide","2022-11-09"],["O1U","(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one","C40 H54 O4","CC(=CC=CC=C(C)C=CC=C(C)C(O)=CC(=O)[C]1(C)C[CH](O)CC1(C)C)C=CC=C(C)C#CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=CC(=O)C2(CC(CC2(C)C)O)C)O)C)C","InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1","mytiloxanthin","2023-01-20","2023-08-11","(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one","2023-08-16"],["C0D","(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide","C14 H28 N2 O3","CC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C;CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C;CCCCCNC(=O)CCNC(=O)C(C(C)(C)C)O","InChI=1S/C14H28N2O3/c1-5-6-7-9-15-11(17)8-10-16-13(19)12(18)14(2,3)4/h12,18H,5-10H2,1-4H3,(H,15,17)(H,16,19)/t12-/m0/s1","","2017-09-06","2018-09-07","(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide","2018-09-12"],["O1V","2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one","C17 H19 N5 O S","n1c(c(cn1)c2sc3c(c2)N=C(NC3=O)C5CC4CCN5CC4)C;Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)[CH]4CC5CCN4CC5;Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)C4CC5CCN4CC5","InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1","","2019-06-04","2020-01-10","2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one","2020-01-15"],["C0E","3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid","C12 H8 F2 O4","O=C(c1ccc(F)cc1)C=CC(/F)=C(/O)C(=O)O;OC(=O)C(O)=C(F)C=CC(=O)c1ccc(F)cc1;c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F","InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9-","","2007-11-07","2011-06-04","(2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid",""],["O1W","6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine","C24 H33 N9 O2","COC[CH](C)n1c2cc(ncc2nc1c3cn4c(C)nnc4c(NC(C)C)n3)N5CCOC[CH]5C;Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C)COC)N5CCOCC5C","InChI=1S/C24H33N9O2/c1-14(2)26-22-24-30-29-17(5)32(24)11-19(27-22)23-28-18-10-25-21(31-7-8-35-13-15(31)3)9-20(18)33(23)16(4)12-34-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27)/t15-,16-/m0/s1","","2020-01-21","2020-07-03","6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine","2020-07-08"],["C0F","(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C12 H14 N4 O3 S","N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O;c1cnc(cc1CC(C(=O)N)N)C2=NC(CS2)C(=O)O","InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t7-,9-/m0/s1","","2019-04-03","2024-09-27","(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2019-06-26"],["C0G","(2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide","C17 H24 N2 O5","CC(C(O)C(=O)NCCC(=O)NCc2cc1OCOc1cc2)(C)C;CC(C)(C)[CH](O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1;CC(C)(C)C(C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O","InChI=1S/C17H24N2O5/c1-17(2,3)15(21)16(22)18-7-6-14(20)19-9-11-4-5-12-13(8-11)24-10-23-12/h4-5,8,15,21H,6-7,9-10H2,1-3H3,(H,18,22)(H,19,20)/t15-/m0/s1","","2017-09-06","2018-09-07","(2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide","2018-09-12"],["O1X","(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide","C10 H12 F2 N2 O2","O=C(Nc1cnccc1C)C(C)OC(F)F;C[CH](OC(F)F)C(=O)Nc1cnccc1C;Cc1ccncc1NC(=O)C(C)OC(F)F","InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1","","2023-08-16","2023-11-03","(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide","2023-11-08"],["C0H","~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine","C9 H8 Cl N5","Nc1ncnc(Nc2ccccc2Cl)n1;c1ccc(c(c1)Nc2ncnc(n2)N)Cl","InChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)","","2017-11-03","2018-10-19","~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine","2018-10-24"],["O1Y","N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide","C22 H24 Cl2 N8 O5","c3(c(c(NC(N(c2cc(Nc1c(NC(/C=C)=O)cn(CCO)n1)ncn2)C)=O)c(Cl)c(c3)OC)Cl)OC;COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3nn(CCO)cc3NC(=O)C=C)ncn2)c1Cl;CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl","InChI=1S/C22H24Cl2N8O5/c1-5-17(34)27-12-10-32(6-7-33)30-21(12)28-15-9-16(26-11-25-15)31(2)22(35)29-20-18(23)13(36-3)8-14(37-4)19(20)24/h5,8-11,33H,1,6-7H2,2-4H3,(H,27,34)(H,29,35)(H,25,26,28,30)","","2019-06-04","2024-09-27","N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide","2019-06-19"],["C0I","(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide","C40 H46 N6 O2","O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67;c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccc(cc3)CN4CCCC(C4)C(=O)NCCCNc5c6ccccc6nc7c5CCCC7","InChI=1S/C40H46N6O2/c47-39(43-23-20-30-25-44-35-13-4-1-10-32(30)35)29-18-16-28(17-19-29)26-46-24-7-9-31(27-46)40(48)42-22-8-21-41-38-33-11-2-5-14-36(33)45-37-15-6-3-12-34(37)38/h1-2,4-5,10-11,13-14,16-19,25,31,44H,3,6-9,12,15,20-24,26-27H2,(H,41,45)(H,42,48)(H,43,47)/t31-/m0/s1","","2021-12-14","2022-12-16","(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide","2022-12-21"],["O1Z","[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone","C20 H21 N3 O S","O=C(c1sc(nc1N)NC2CCCCC2)c4cc3ccccc3cc4;Nc1nc(NC2CCCCC2)sc1C(=O)c3ccc4ccccc4c3;c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N","InChI=1S/C20H21N3OS/c21-19-18(25-20(23-19)22-16-8-2-1-3-9-16)17(24)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16H,1-3,8-9,21H2,(H,22,23)","","2011-03-29","2012-10-26","[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone","2012-10-26"],["C0J","2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile","C14 H12 F N3","c2(C#N)c(NCCc1ccccn1)cccc2F;Fc1cccc(NCCc2ccccn2)c1C#N;c1ccnc(c1)CCNc2cccc(c2C#N)F","InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2","","2017-09-06","2018-09-07","2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile","2018-09-12"],["O2","OXYGEN MOLECULE","O2","O=O;O=O","InChI=1/O2/c1-2","","1999-07-08","2008-10-14","molecular oxygen",""],["O20","(2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid","C36 H46 Cl N3 O3","O=C(O)C(OC(C)(C)C)c1c(N2CCC(C)(C)CC2)c(cnc1C)c1ccc2CN(CCc2c1)Cc1c(C)cccc1Cl;Cc1cccc(Cl)c1CN2CCc3cc(ccc3C2)c4cnc(C)c([CH](OC(C)(C)C)C(O)=O)c4N5CCC(C)(C)CC5;Cc1cccc(c1CN2CCc3cc(ccc3C2)c4cnc(c(c4N5CCC(CC5)(C)C)C(C(=O)O)OC(C)(C)C)C)Cl","InChI=1S/C36H46ClN3O3/c1-23-9-8-10-30(37)29(23)22-39-16-13-25-19-26(11-12-27(25)21-39)28-20-38-24(2)31(33(34(41)42)43-35(3,4)5)32(28)40-17-14-36(6,7)15-18-40/h8-12,19-20,33H,13-18,21-22H2,1-7H3,(H,41,42)/t33-/m0/s1","","2022-04-17","2022-07-01","(2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid","2022-07-06"],["C0K","{(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid","C11 H14 F2 N O5 P","Fc1ccc(cc1F)C(CCC(=O)N(O)C)P(=O)(O)O;CN(O)C(=O)CC[CH](c1ccc(F)c(F)c1)[P](O)(O)=O;CN(C(=O)CCC(c1ccc(c(c1)F)F)P(=O)(O)O)O","InChI=1S/C11H14F2NO5P/c1-14(16)11(15)5-4-10(20(17,18)19)7-2-3-8(12)9(13)6-7/h2-3,6,10,16H,4-5H2,1H3,(H2,17,18,19)/t10-/m0/s1","","2011-04-13","2011-09-02","{(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid",""],["C0L","methyl\n[(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d\nihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate","C30 H41 N O7","CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C;COC(=O)NC=CCC[CH](C)C1=CC(=O)C(C(=O)O1)=C(O)C(C)=CC=C(C)CC[CH](O)C(C)=CCC=CC;CC=CCC=C(C)C(CCC(=CC=C(C)C(=C1C(=O)C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C)O","InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1","Corallopyronin A","2018-08-14","2020-06-17","methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate","2018-11-21"],["O21","N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide","C30 H36 Cl2 N8 O4","C(CN1CCN(C)CC1)CN(C(Nc2c(c(OC)cc(c2Cl)OC)Cl)=O)c3ncnc(c3)Nc4ccccc4NC(=O)C=C;COc1cc(OC)c(Cl)c(NC(=O)N(CCCN2CCN(C)CC2)c3cc(Nc4ccccc4NC(=O)C=C)ncn3)c1Cl;CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl","InChI=1S/C30H36Cl2N8O4/c1-5-26(41)36-21-10-7-6-9-20(21)35-24-18-25(34-19-33-24)40(12-8-11-39-15-13-38(2)14-16-39)30(42)37-29-27(31)22(43-3)17-23(44-4)28(29)32/h5-7,9-10,17-19H,1,8,11-16H2,2-4H3,(H,36,41)(H,37,42)(H,33,34,35)","","2019-06-04","2024-09-27","N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide","2019-06-19"],["O22","4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide","C15 H15 N5 O2","O=C(N)c1ccc(cc1)Nc2nc(OCC)c(C#N)c(c2)N;CCOc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N;CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N","InChI=1S/C15H15N5O2/c1-2-22-15-11(8-16)12(17)7-13(20-15)19-10-5-3-9(4-6-10)14(18)21/h3-7H,2H2,1H3,(H2,18,21)(H3,17,19,20)","","2012-04-17","2012-06-22","4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide",""],["C0M","N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE","C27 H28 N4 O2 S","O=C(N4CCc1c(sc(c1C#N)NC(=O)c3c2ccccc2ccc3)C4)CCN5CCCCC5;O=C(CCN1CCCCC1)N2CCc3c(C2)sc(NC(=O)c4cccc5ccccc45)c3C#N;c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N","InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)","","2006-12-04","2011-06-04","N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide",""],["O23","N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide","C21 H19 N5 O S","O=C(NC1CC1)c2ccc(cc2)c3cnc4c(nccn34)NCc5sccc5;O=C(NC1CC1)c2ccc(cc2)c3cnc4n3ccnc4NCc5sccc5;c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5","InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27)","","2014-10-02","2015-02-06","N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide","2015-02-11"],["C0N","2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide","C25 H25 N8 O5 S","O=C(NCC#C)c1cc(Nc2cc([nH]n2)C3CC3)nc(n1)N4CCN(CC4)C(=O)c5ccc(O[S+](=O)=O)cc5;C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)C(=O)c3ccc(cc3)O[S+](=O)=O)Nc4cc([nH]n4)C5CC5","InChI=1S/C25H24N8O5S/c1-2-9-26-23(34)20-15-21(28-22-14-19(30-31-22)16-3-4-16)29-25(27-20)33-12-10-32(11-13-33)24(35)17-5-7-18(8-6-17)38-39(36)37/h1,5-8,14-16H,3-4,9-13H2,(H2-,26,27,28,29,30,31,34)/p+1","","2023-05-23","2024-02-09","2-[4-[4-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide","2024-02-14"],["O25","2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C18 H22 F3 N5 O2 S","FC(F)(F)c1nn(cc1CNCC)CC(=O)Nc2sc3c(c2C(=O)N)CCCC3;CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F;CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N","InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27)","","2010-07-30","2011-06-04","2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["C0O","(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid","C7 H12 N2 O4","N[CH](CC=C[CH](N)C(O)=O)C(O)=O;C(C=CC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C7H12N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-2,4-5H,3,8-9H2,(H,10,11)(H,12,13)/b2-1-/t4-,5+/m1/s1","","2019-04-03","2024-09-27","(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid","2020-01-15"],["O26","2-[({3-tert-butyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C20 H29 N5 O2 S","O=C(c1c3c(sc1NC(=O)Cn2nc(c(c2)CNC)C(C)(C)C)CCCC3)N;CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C;CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC","InChI=1S/C20H29N5O2S/c1-20(2,3)17-12(9-22-4)10-25(24-17)11-15(26)23-19-16(18(21)27)13-7-5-6-8-14(13)28-19/h10,22H,5-9,11H2,1-4H3,(H2,21,27)(H,23,26)","","2010-07-30","2011-06-04","2-[({3-tert-butyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["C0P","4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE","C16 H17 Cl3 N4 O2","Clc1nc(nc(c1)c3cc(OCCN2CCOCC2)c(Cl)cc3Cl)N;Nc1nc(Cl)cc(n1)c2cc(OCCN3CCOCC3)c(Cl)cc2Cl;c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl","InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22)","","2010-06-21","2011-06-04","4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine",""],["C0Q","anilinopyrimidine ligand","C21 H25 Cl N6 O3","CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N5CCNC[CH]5COCCOc(c3)c12;CN1c2c(cc3cc2OCCOCC4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O","InChI=1S/C21H25ClN6O3/c1-27-18(29)3-2-13-8-14-9-17(19(13)27)31-7-6-30-12-15-10-23-4-5-28(15)21-24-11-16(22)20(25-14)26-21/h8-9,11,15,23H,2-7,10,12H2,1H3,(H,24,25,26)/t15-/m1/s1","","2017-11-04","2018-10-19","","2018-10-24"],["O27","N-[(3R)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C23 H28 F3 N5 O2 S","FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc5c(c3C(=O)NC4CCNC4)CCCC5;FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(=O)N[CH]4CCNC4)c5CCCCc15;C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NC5CCNC5)C(F)(F)F)C1","InChI=1S/C23H28F3N5O2S/c24-23(25,26)20-14-5-1-3-7-16(14)31(30-20)12-18(32)29-22-19(15-6-2-4-8-17(15)34-22)21(33)28-13-9-10-27-11-13/h13,27H,1-12H2,(H,28,33)(H,29,32)/t13-/m1/s1","","2010-07-30","2012-08-01","N-[(3R)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["C0R","CORTICOSTERONE","C21 H30 O4","O=C(CO)C3C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C;C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO;CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O","InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1","(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE","2005-01-18","2021-03-13","(9beta,11alpha)-11,21-dihydroxypregn-4-ene-3,20-dione",""],["O28","2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C19 H21 F3 N4 O2 S","FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)N)CCCC4;NC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14;C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1","InChI=1S/C19H21F3N4O2S/c20-19(21,22)16-10-5-1-3-7-12(10)26(25-16)9-14(27)24-18-15(17(23)28)11-6-2-4-8-13(11)29-18/h1-9H2,(H2,23,28)(H,24,27)","","2010-07-23","2011-06-04","2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["O29","N-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C23 H30 F3 N5 O2 S","FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)NCCN(C)C)CCCC4;CN(C)CCNC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14;CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2","InChI=1S/C23H30F3N5O2S/c1-30(2)12-11-27-21(33)19-15-8-4-6-10-17(15)34-22(19)28-18(32)13-31-16-9-5-3-7-14(16)20(29-31)23(24,25)26/h3-13H2,1-2H3,(H,27,33)(H,28,32)","","2010-07-23","2011-06-04","N-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["C0S","1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate","C15 H11 F6 N3 O3","N3(CC(c2nc(c1ccccc1)no2)C3)C(OC(C(F)(F)F)C(F)(F)F)=O;FC(F)(F)C(OC(=O)N1CC(C1)c2onc(n2)c3ccccc3)C(F)(F)F;c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F","InChI=1S/C15H11F6N3O3/c16-14(17,18)12(15(19,20)21)26-13(25)24-6-9(7-24)11-22-10(23-27-11)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2","","2017-09-07","2024-09-27","1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate","2017-12-27"],["O2A","N-methyl-1H-indole-7-carboxamide","C10 H10 N2 O","N(C(c2cccc1ccnc12)=O)C;CNC(=O)c1cccc2cc[nH]c12;CNC(=O)c1cccc2c1[nH]cc2","InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)","","2019-06-04","2019-07-05","N-methyl-1H-indole-7-carboxamide","2019-07-10"],["C0T","Calicheamicin T0","C24 H28 N2 O9 S3","O=C(OC)NC3=C2C(=C/CSSSC)C(O)(C#CC=CC#CC2OC1OC(C(NO)C(O)C1O)C)CC3=O;COC(=O)NC1=C2[CH](O[CH]3O[CH](C)[CH](NO)[CH](O)[CH]3O)C#CC=CC#C[C](O)(CC1=O)C2=CCSSSC;CC1C(C(C(C(O1)OC2C#CC=CC#CC3(CC(=O)C(=C2C3=CCSSSC)NC(=O)OC)O)O)O)NO","InChI=1S/C24H28N2O9S3/c1-13-18(26-32)20(28)21(29)22(34-13)35-16-8-6-4-5-7-10-24(31)12-15(27)19(25-23(30)33-2)17(16)14(24)9-11-37-38-36-3/h4-5,9,13,16,18,20-22,26,28-29,31-32H,11-12H2,1-3H3,(H,25,30)/b5-4-,14-9+/t13-,16+,18-,20+,21-,22+,24+/m1/s1","methyl {(1R,4Z,8S,13E)-8-{[4,6-dideoxy-4-(hydroxyamino)-beta-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate","2010-10-21","2021-03-13","methyl {(1R,4Z,8S,13E)-8-{[4,6-dideoxy-4-(hydroxyamino)-beta-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate",""],["C0V","(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid","C14 H10 O4","c2cc1ccccc1cc2C([C@H]=C(C(O)=O)O)=O;OC(=O)C(O)=CC(=O)c1ccc2ccccc2c1;c1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O","InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,16H,(H,17,18)/b13-8-","","2017-09-07","2018-08-31","(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid","2018-09-05"],["O2B","3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine","C28 H33 N9 O","CC(C)Nc1nc(cn2c(C)nnc12)c3nc4cnc(cc4n3[CH](C)c5ccccc5)N6CCOC[CH]6C;Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C)c5ccccc5)N6CCOCC6C","InChI=1S/C28H33N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31)/t18-,19-/m0/s1","","2020-01-21","2020-07-03","3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine","2020-07-08"],["C0W","(~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid","C11 H8 O2 S2","OC(=O)C(S)=Cc1csc2ccccc12;c1ccc2c(c1)c(cs2)C=C(C(=O)O)S","InChI=1S/C11H8O2S2/c12-11(13)9(14)5-7-6-15-10-4-2-1-3-8(7)10/h1-6,14H,(H,12,13)/b9-5-","","2017-11-04","2018-09-28","(~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid","2018-10-03"],["O2C","3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O7 P","O=C1N=C(N)C=CN1C2OC(CC2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)C[CH]2O;C1C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)O","InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2005-10-31","2011-06-04","3'-deoxy-5'-cytidylic acid",""],["O2D","2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide","C10 H16 N4 O","N(C(CC1CCCCC1)=O)n2cnnc2;O=C(CC1CCCCC1)Nn2cnnc2;c1nncn1NC(=O)CC2CCCCC2","InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)","","2019-06-05","2019-08-16","2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide","2019-08-21"],["C0X","(2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid","C20 H35 O7 P","CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O;CC(=CCCC(=CCCC(=CCOC(COP(=O)(OC)OC)C(=O)O)C)C)C","InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13+/t19-/m0/s1","","2019-04-04","2019-04-12","(2~{S})-3-dimethoxyphosphoryloxy-2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid","2019-04-17"],["C0Y","(3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE","C15 H21 N O3","O=C(c1ccc(O)c(c1)C(C)(C)C)N2CCOCC2;CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2;CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2","InChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3","","2010-06-21","2011-06-04","2-tert-butyl-4-(morpholin-4-ylcarbonyl)phenol",""],["O2E","(2~{S},3~{R})-2-[(2~{S},3~{R})-1-[(2~{R})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C25 H32 N4 O9 S","C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(=O)OC[CH](N)C=O;CC1C(C(=NC1C(C(C)O)C(=O)OCC(C=O)N)C(=O)O)SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C25H32N4O9S/c1-11-19(18(12(2)31)25(37)38-10-14(26)9-30)29-20(24(35)36)21(11)39-16-7-17(27-8-16)22(32)28-15-5-3-4-13(6-15)23(33)34/h3-6,9,11-12,14,16-19,21,27,31H,7-8,10,26H2,1-2H3,(H,28,32)(H,33,34)(H,35,36)/t11-,12-,14+,16+,17+,18-,19-,21+/m1/s1","","2020-01-21","2024-09-27","(2~{S},3~{R})-2-[(2~{S},3~{R})-1-[(2~{R})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2021-02-03"],["O2F","(2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C17 H27 N3 O5 S","C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C","InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15-/m1/s1","Meropenem, bound form","2022-08-26","2024-09-27","(2~{S},3~{R},4~{R})-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2023-03-08"],["C0Z","6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE","C25 H26 Cl N3 O3 S","CN(C)[CH]1CCc2cc(ccc12)N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O;CN(C)C1CCc2c1ccc(c2)N3CCC(C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl","InChI=1S/C25H26ClN3O3S/c1-28(2)24-10-5-18-14-20(7-9-22(18)24)29-12-11-23(25(29)30)27-33(31,32)21-8-4-16-13-19(26)6-3-17(16)15-21/h3-4,6-9,13-15,23-24,27H,5,10-12H2,1-2H3/t23-,24-/m0/s1","","2011-02-02","2011-06-04","6-chloro-N-[(3S)-1-[(1S)-1-dimethylamino-2,3-dihydro-1H-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide",""],["O2G","2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINE","C12 H18 N5 O7 P","O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3)COP(=O)(O)O;CN(C)C1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;CN(C)C1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1","InChI=1S/C12H18N5O7P/c1-16(2)12-14-10-9(11(19)15-12)13-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,3-4H2,1-2H3,(H,14,15,19)(H2,20,21,22)/t6-,7+,8+/m0/s1","","2009-01-22","2011-06-04","2'-deoxy-N,N-dimethylguanosine 5'-(dihydrogen phosphate)",""],["C10","HEXAETHYLENE GLYCOL MONODECYL ETHER","C22 H46 O7","O(CCOCCCCCCCCCC)CCOCCOCCOCCOCCO;CCCCCCCCCCOCCOCCOCCOCCOCCOCCO;CCCCCCCCCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C22H46O7/c1-2-3-4-5-6-7-8-9-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-10-23/h23H,2-22H2,1H3","","2005-01-12","2011-06-04","3,6,9,12,15,18-hexaoxaoctacosan-1-ol",""],["O2H","~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide","C31 H32 N4 O5","CCCC1=Nc2ccc(NC(=O)Cc3ncc(Oc4ccnc5cc(OC)ccc45)cc3OC)cc2C(C)(C)O1;CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC","InChI=1S/C31H32N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,6-7,17H2,1-5H3,(H,34,36)","","2020-01-21","2024-09-27","~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide","2020-05-27"],["C11","UNDECYL-PHOSPHINIC ACID BUTYL ESTER","C15 H33 O2 P","O=P(OCCCC)CCCCCCCCCCC;CCCCCCCCCCC[PH](=O)OCCCC;CCCCCCCCCCCP(=O)OCCCC","InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3","","2001-10-29","2024-09-27","butyl (R)-undecylphosphinate",""],["C12","2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE","C15 H18 N3 O5","[O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2;C[CH](O)[CH](N)c1nc(Cc2ccc(O)cc2)c([O-])n1CC(O)=O;CC(C(c1nc(c(n1CC(=O)O)[O-])Cc2ccc(cc2)O)N)O","InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1","PEPTIDE DERIVED CHROMOPHORE","2006-02-23","2024-09-27","2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate",""],["O2I","4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile","C20 H13 F2 N3 O2","CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(cc3)C#N;CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccc(cc3)C#N","InChI=1S/C20H13F2N3O2/c1-25-18(7-6-12-2-4-13(11-23)5-3-12)24-17(20(25)27)10-14-8-15(21)19(26)16(22)9-14/h2-10,26H,1H3/b7-6+,17-10-","","2023-01-20","2024-06-14","4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile","2024-06-19"],["C13","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea","C17 H19 Cl2 N3 O","Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2;Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1;c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl","InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)","","2011-09-23","2012-06-29","1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea",""],["O2J","(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine","C11 H16 N2 O2","N2(c1ccccn1)CCOC(C2)COC;COC[CH]1CN(CCO1)c2ccccn2;COCC1CN(CCO1)c2ccccn2","InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1","","2019-06-05","2019-08-16","(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine","2019-08-21"],["O2K","~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide","C29 H30 N4 O5","CCC(=O)NCc1cc(C)cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)c1;CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C","InChI=1S/C29H30N4O5/c1-5-28(34)32-16-19-10-18(2)11-20(12-19)33-29(35)15-25-27(37-4)14-22(17-31-25)38-26-8-9-30-24-13-21(36-3)6-7-23(24)26/h6-14,17H,5,15-16H2,1-4H3,(H,32,34)(H,33,35)","","2020-01-21","2020-05-22","~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide","2020-05-27"],["C14","TETRADECANE","C14 H30","C(CCCCC)CCCCCCCC;CCCCCCCCCCCCCC;CCCCCCCCCCCCCC","InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3","","2004-08-17","2011-06-04","tetradecane",""],["O2L","N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide","C17 H16 F4 N2 O4 S","Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C;CC(C)N(Cc1ccc(cc1)C(=O)NO)[S](=O)(=O)c2cc(F)c(F)c(F)c2F;CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c2cc(c(c(c2F)F)F)F","InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)","","2022-04-17","2022-10-28","N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide","2022-11-02"],["C15","N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE","C17 H38 N O3 S","O=S(=O)(O)CCC[N+](C)(CCCCCCCCCCCC)C;CCCCCCCCCCCC[N+](C)(C)CCC[S](O)(=O)=O;CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O","InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1","","2002-05-28","2011-06-04","N,N-dimethyl-N-(3-sulfopropyl)dodecan-1-aminium",""],["O2M","N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide","C9 H10 N4 O S","N(Cc1nc(C)cs1)C(=O)c2nncc2;Cc1csc(CNC(=O)c2[nH]ncc2)n1;Cc1csc(n1)CNC(=O)c2ccn[nH]2","InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)","","2019-06-05","2019-08-16","N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide","2019-08-21"],["C16","4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile","C16 H10 N2 O2","N#Cc1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C;Cc1cccc2C(=O)N(c3ccc(cc3)C#N)C(=O)c12;Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N","InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3","","2007-12-18","2011-06-04","4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile",""],["O2N","5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid","C35 H34 N2 O7","O=C(NC(c1ccc(OC)cc1)c2ccc(OC)cc2)c3ccccc3CN(C/C=C)Cc4ccc5OCOc5c4C(=O)O;COc1ccc(cc1)C(NC(=O)c2ccccc2CN(CC=C)Cc3ccc4OCOc4c3C(O)=O)c5ccc(OC)cc5;COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5","InChI=1S/C35H34N2O7/c1-4-19-37(21-26-13-18-30-33(44-22-43-30)31(26)35(39)40)20-25-7-5-6-8-29(25)34(38)36-32(23-9-14-27(41-2)15-10-23)24-11-16-28(42-3)17-12-24/h4-18,32H,1,19-22H2,2-3H3,(H,36,38)(H,39,40)","","2011-06-30","2014-09-05","5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid",""],["C17","7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE","C17 H11 Cl O4","Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2C=O)c3;Clc1cccc(COc2ccc3c(OC(=O)C=C3C=O)c2)c1;c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O","InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2","","2007-07-13","2011-06-04","7-[(3-chlorobenzyl)oxy]-2-oxo-2H-chromene-4-carbaldehyde",""],["O2O","2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide","C21 H14 Cl N3 O4","Cc1cccc(c1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3n2;Cc1cccc(c1)c2nc3cc(ccc3o2)NC(=O)c4cc(ccc4Cl)[N+](=O)[O-]","InChI=1S/C21H14ClN3O4/c1-12-3-2-4-13(9-12)21-24-18-10-14(5-8-19(18)29-21)23-20(26)16-11-15(25(27)28)6-7-17(16)22/h2-11H,1H3,(H,23,26)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide","2022-11-09"],["C18","7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE","C18 H16 Cl N O3","Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2CNC)c3;CNCC1=CC(=O)Oc2cc(OCc3cccc(Cl)c3)ccc12;CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl","InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3","","2007-07-13","2011-06-04","7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one",""],["O2P","N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide","C15 H15 N O2","N(c1ccc(cc1O)C)C(=O)c2ccccc2C;Cc1ccc(NC(=O)c2ccccc2C)c(O)c1;Cc1ccc(c(c1)O)NC(=O)c2ccccc2C","InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18)","","2019-06-05","2019-08-16","N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide","2019-08-21"],["C19","3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one","C24 H23 N5 O","O=C5C(c2cc1cnc(nc1cc2)N)=C(C=CN5c3ccc4c(c3)NCC4(C)C)C;CC1=C(C(=O)N(C=C1)c2ccc3c(NCC3(C)C)c2)c4ccc5nc(N)ncc5c4;CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N","InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)","","2008-04-01","2011-06-04","3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-4-methylpyridin-2(1H)-one",""],["O2Q","~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","C14 H13 F2 N5","CN(Cc1ccc(F)c(F)c1)c2ccc3nnc(C)n3n2;Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F","InChI=1S/C14H13F2N5/c1-9-17-18-13-5-6-14(19-21(9)13)20(2)8-10-3-4-11(15)12(16)7-10/h3-7H,8H2,1-2H3","","2020-01-21","2020-07-03","~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","2020-07-08"],["C1A","(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)","C14 H22 N8 S2","S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C;Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N;Cc1cc(c(cc1CSC(=N)NC(=N)N)C)CSC(=N)NC(=N)N","InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22)","4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL\nN-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE","2005-08-31","2020-06-17","(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)",""],["O2R","2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide","C18 H21 Cl N2 O2","O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC;CCCCOc1ccc(Cl)cc1CC(=O)Nc2cnccc2C;CCCCOc1ccc(cc1CC(=O)Nc2cnccc2C)Cl","InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)","","2023-08-16","2023-11-03","2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["C1B","(2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID","C26 H24 N6 O7","O=C(O)CC(C(=O)O)c4cc(c2nc1ccc(cc1n2)C(=[N@H])N)c(O)c(c3cc(ccc3O)CNC(=O)N)c4;NC(=O)NCc1ccc(O)c(c1)c2cc(cc(c2O)c3[nH]c4cc(ccc4n3)C(N)=N)[CH](CC(O)=O)C(O)=O;[H]N=C(c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)C(CC(=O)O)C(=O)O)N","InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)/t14-/m1/s1","","2005-10-14","2011-06-04","(2R)-2-{5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5'-[(carbamoylamino)methyl]-2',6-dihydroxybiphenyl-3-yl}butanedioic acid",""],["O2S","(2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid","C8 H16 O2 S","CC(C)C[CH]([CH](C)S)C(O)=O;CC(C)CC(C(C)S)C(=O)O","InChI=1S/C8H16O2S/c1-5(2)4-7(6(3)11)8(9)10/h5-7,11H,4H2,1-3H3,(H,9,10)/t6-,7-/m0/s1","","2017-07-31","2017-08-04","(2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid","2017-08-09"],["C1C","1,1'-binaphthalene-2,2'-dicarboxylic acid","C22 H14 O4","O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3;OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc34)C(O)=O;c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O","InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)","1-(2-carboxynaphth-1yl)-2-naphthoic acid","2010-04-19","2020-06-17","1,1'-binaphthalene-2,2'-dicarboxylic acid",""],["C1D","1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL","C20 H30 Cl F2 N7 O","FC(F)(c1ncccc1)CNC2=NC=C(Cl)N(C2O)CCNCC3C(NC(N)CC3)C;C[CH]1N[CH](N)CC[CH]1CNCCN2[CH](O)C(=NC=C2Cl)NCC(F)(F)c3ccccn3;CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O","InChI=1S/C20H30ClF2N7O/c1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15/h2-4,7,11,13-14,17,19,25,29,31H,5-6,8-10,12,24H2,1H3,(H,27,28)/t13?,14?,17-,19?/m1/s1","","2005-07-27","2011-06-04","(2S)-1-[2-({[(2R,3S,6R)-6-amino-2-methylpiperidin-3-yl]methyl}amino)ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,2-dihydropyrazin-2-ol",""],["O2T","[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate","C14 H20 N4 O11 P2 S","Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)([O-])=O)sc2C(O)(O)C(O)=O)c(N)n1;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-]","InChI=1S/C14H20N4O11P2S/c1-7-10(3-4-28-31(26,27)29-30(23,24)25)32-12(14(21,22)13(19)20)18(7)6-9-5-16-8(2)17-11(9)15/h5,21-22H,3-4,6H2,1-2H3,(H5-,15,16,17,19,20,23,24,25,26,27)","","2015-11-24","2015-12-24","[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate","2015-12-29"],["O2U","[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid","C6 H7 N O5","O=C1C(CC(=O)O)CC(=O)N1O;ON1C(=O)C[CH](CC(O)=O)C1=O;C1C(C(=O)N(C1=O)O)CC(=O)O","InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)/t3-/m0/s1","","2022-04-19","2022-12-16","[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid","2022-12-21"],["C1E","(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid","C12 H9 Cl O4","O=C(C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1;OC(=O)C(O)=C(Cl)C=CC(=O)c1ccccc1;c1ccc(cc1)C(=O)C=CC(=C(C(=O)O)O)Cl","InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9-","","2007-11-06","2011-06-04","(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid",""],["C1F","3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC","C12 H16 O5","O=C(O)CCc1oc(c(c1C(=O)O)C)CCC;CCCc1oc(CCC(O)=O)c(C(O)=O)c1C;CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C","InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)","","2005-07-26","2011-06-04","2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid",""],["O2V","(2S)-4-methyl-2-[(1R)-1-sulfanylethyl]pentanoic acid","C8 H16 O2 S","O=C(O)C(CC(C)C)C(S)C;CC(C)C[CH]([CH](C)S)C(O)=O;CC(C)CC(C(C)S)C(=O)O","InChI=1S/C8H16O2S/c1-5(2)4-7(6(3)11)8(9)10/h5-7,11H,4H2,1-3H3,(H,9,10)/t6-,7-/m1/s1","","2014-12-23","2016-01-15","(2S)-4-methyl-2-[(1R)-1-sulfanylethyl]pentanoic acid","2016-01-20"],["C1G","N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide","C18 H29 N5 O3 S","C(=O)(C1(CCC1)C(NC(CCCNC(N)=O)CN)=O)NC(C)c2ccsc2;C[CH](NC(=O)C1(CCC1)C(=O)N[CH](CN)CCCNC(N)=O)c2cscc2;CC(c1ccsc1)NC(=O)C2(CCC2)C(=O)NC(CCCNC(=O)N)CN","InChI=1S/C18H29N5O3S/c1-12(13-5-9-27-11-13)22-15(24)18(6-3-7-18)16(25)23-14(10-19)4-2-8-21-17(20)26/h5,9,11-12,14H,2-4,6-8,10,19H2,1H3,(H,22,24)(H,23,25)(H3,20,21,26)/t12-,14+/m1/s1","","2017-09-08","2024-09-27","N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide","2017-12-27"],["O2W","methyl ({[(3aR,4R,7R,7aR)-2-(4-aminophenyl)-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate","C20 H23 N3 O6","O=C(OC)COC(=O)NC24CCC(C1C(=O)N(C(=O)C12)c3ccc(N)cc3)CC4;COC(=O)COC(=O)NC12CCC(CC1)[CH]3[CH]2C(=O)N(C3=O)c4ccc(N)cc4;COC(=O)COC(=O)NC12CCC(CC1)C3C2C(=O)N(C3=O)c4ccc(cc4)N","InChI=1S/C20H23N3O6/c1-28-14(24)10-29-19(27)22-20-8-6-11(7-9-20)15-16(20)18(26)23(17(15)25)13-4-2-12(21)3-5-13/h2-5,11,15-16H,6-10,21H2,1H3,(H,22,27)/t11-,15-,16+,20-/m1/s1","","2010-10-28","2011-07-15","methyl ({[(3aR,4R,7R,7aR)-2-(4-aminophenyl)-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate",""],["O2X","~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide","C23 H31 Cl2 N3 O3","ClCC(=O)N1CCC2(CC1)CC(CNC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C2;c1cc(ccc1NC2(CCOCC2)C(=O)NCC3CC4(C3)CCN(CC4)C(=O)CCl)Cl","InChI=1S/C23H31Cl2N3O3/c24-15-20(29)28-9-5-22(6-10-28)13-17(14-22)16-26-21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,30)","","2022-08-26","2024-09-27","~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide","2023-09-20"],["C1H","4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate","C13 H15 N5 O9 S3","O=S(=O)(c1nnc(s1)NS(=O)(=O)c2cc(C(=O)OCCCCO[N+]([O-])=O)ccc2)N;N[S](=O)(=O)c1sc(N[S](=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)nn1;c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]","InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23)","","2010-07-05","2011-06-17","4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate",""],["C1I","CORTISTATIN A","C30 H36 N2 O3","OC5C4=CC7=CCC3(C(c2cc1cnccc1cc2)CCC3C76OC4(CC(N(C)C)C5O)CC6)C;CN(C)[CH]1C[C]23CC[C]4(O2)[CH]5CC[CH](c6ccc7ccncc7c6)[C]5(C)CC=C4C=C3[CH](O)[CH]1O;CC12CC=C3C=C4C(C(C(CC45CCC3(C1CCC2c6ccc7ccncc7c6)O5)N(C)C)O)O","InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1","","2014-02-27","2015-09-18","(1R,2R,3S,5R,17alpha)-3-(dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2-diol","2015-09-23"],["O2Y","3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid","C8 H7 N O4 S","O=C(CSc1c(nccc1)C(=O)O)O;OC(=O)CSc1cccnc1C(O)=O;c1cc(c(nc1)C(=O)O)SCC(=O)O","InChI=1S/C8H7NO4S/c10-6(11)4-14-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)","3-(carboxymethylthio)picolinic acid","2019-06-05","2021-03-01","3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid","2019-09-18"],["O2Z","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid","C10 H16 N7 O7 P","NNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)O)O)O)N)NN","InChI=1S/C10H16N7O7P/c11-10-14-7(16-12)4-8(15-10)17(2-13-4)9-6(19)5(18)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,18-19H,1,12H2,(H2,20,21,22)(H3,11,14,15,16)/t3-,5-,6-,9-/m1/s1","","2020-01-21","2020-02-14","[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2020-02-19"],["C1J","N~5~-(N-octylcarbamimidoyl)-L-ornithine","C14 H30 N4 O2","NC(C(O)=O)CCCN/C(NCCCCCCCC)=N;CCCCCCCCNC(=N)NCCC[CH](N)C(O)=O;CCCCCCCCNC(=N)NCCCC(C(=O)O)N","InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1","","2017-09-08","2024-09-27","N~5~-(N-octylcarbamimidoyl)-L-ornithine","2017-12-13"],["O30","N-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","C22 H28 F3 N5 O2 S","FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)NCCCN)CCCC4;NCCCNC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14;C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1","InChI=1S/C22H28F3N5O2S/c23-22(24,25)19-13-6-1-3-8-15(13)30(29-19)12-17(31)28-21-18(20(32)27-11-5-10-26)14-7-2-4-9-16(14)33-21/h1-12,26H2,(H,27,32)(H,28,31)","","2010-07-23","2011-06-04","N-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",""],["C1K","(1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol","C12 H23 N O4","OC2C(NC1CCCCC1)C(C(O)C2O)CO;OC[CH]1[CH](O)[CH](O)[CH](O)[CH]1NC2CCCCC2;C1CCC(CC1)NC2C(C(C(C2O)O)O)CO","InChI=1S/C12H23NO4/c14-6-8-9(11(16)12(17)10(8)15)13-7-4-2-1-3-5-7/h7-17H,1-6H2/t8-,9+,10+,11-,12-/m0/s1","","2013-01-17","2014-09-05","(1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol","2014-02-05"],["O31","Glecaprevir","C38 H46 F4 N6 O9 S","C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F;CC(C)(C)[CH]1NC(=O)O[CH]2CCC[CH]2OCC=CC(F)(F)c3nc4ccccc4nc3O[CH]5C[CH]([N](C5)C1=O)C(=O)N[C]6(C[CH]6C(F)F)C(=O)N[S](=O)(=O)C7(C)CC7;CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5OCC=CC(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C","InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1","(3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide","2019-06-05","2025-01-22","(3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide","2020-06-10"],["C1L","6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline","C18 H22 N4 O2","O(c2cc1c(c3c(nc1c(c2)C)nnc3C)CN4CCOCC4)C;COc1cc(C)c2nc3[nH]nc(C)c3c(CN4CCOCC4)c2c1;Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC","InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)","","2011-11-28","2011-12-16","6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline",""],["O32","(4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one","C22 H21 N5 O2","C[CH](Oc1cc(cc2ncccc12)c3ccc4nnc(C)n4c3)[CH]5CNC(=O)C5;Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)OC(C)C5CC(=O)NC5","InChI=1S/C22H21N5O2/c1-13(17-10-22(28)24-11-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21-26-25-14(2)27(21)12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,28)/t13-,17-/m1/s1","","2020-01-21","2020-07-03","(4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one","2020-07-08"],["C1M","1-(4-CHLOROPHENYL)-1H-TETRAZOLE","C7 H5 Cl N4","Clc1ccc(cc1)n2nnnc2;Clc1ccc(cc1)n2cnnn2;c1cc(ccc1n2cnnn2)Cl","InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H","INHIBITOR OF THROMBIN","2005-12-08","2020-06-17","1-(4-chlorophenyl)-1H-tetrazole",""],["C1N","N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-[3-FLUORO-1-(4-HYDROXYBENZYL)-2-OXOPROPYL]LEUCINAMIDE","C30 H40 F N3 O6","O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)CF)Cc2ccc(O)cc2)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)CF;CC(C)CC(C(=O)NC(Cc1ccc(cc1)O)C(=O)CF)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2","InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1","CBZ-LEU-LEU-TYR-CH2F","2005-04-19","2024-09-27","N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide",""],["O33","(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-\nL-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide","C40 H45 N5 O7 S2","O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CSC)Cc5ccccc5)CSC6(C)C;CSC[CH](NC(=O)COc1cccc2cnccc12)C(=O)N[CH](Cc3ccccc3)[CH](O)C(=O)N4CSC(C)(C)[CH]4C(=O)N[CH]5[CH](O)Cc6ccccc56;CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)NC5c6ccccc6CC5O)C","InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1","KNI-10033","2007-04-18","2020-06-17","(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide",""],["O34","yersiniabactin","C21 H27 N3 O4 S3","N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4;CC(C)([CH](O)[CH]1CS[CH](N1)[CH]2CSC(=N2)c3ccccc3O)C4=N[C](C)(CS4)C(O)=O;CC1(CSC(=N1)C(C)(C)C(C2CSC(N2)C3CSC(=N3)c4ccccc4O)O)C(=O)O","InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1","(4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met\nhylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2019-06-05","2020-06-17","(4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2020-03-04"],["C1O","CU-O LINKAGE","Cu O","[Cu]=O;O=[Cu];O=[Cu]","InChI=1S/Cu.O","","1999-07-08","2011-06-04","oxocopper",""],["O35","~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide","C28 H30 N4 O4","COc1ccc2c(Oc3cnc(CC(=O)Nc4cc(C)cc(CN(C)C)c4)c(OC)c3)ccnc2c1;Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C","InChI=1S/C28H30N4O4/c1-18-10-19(17-32(2)3)12-20(11-18)31-28(33)15-25-27(35-5)14-22(16-30-25)36-26-8-9-29-24-13-21(34-4)6-7-23(24)26/h6-14,16H,15,17H2,1-5H3,(H,31,33)","","2020-01-21","2020-05-22","~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide","2020-05-27"],["C1P","N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide","C28 H39 N3 O5 S","O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)CC(C)C)N3CCOCC3;CC(C)C[CH](NC(=O)N1CCOCC1)C(=O)N[CH](CCc2ccccc2)CC[S](=O)(=O)c3ccccc3;CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3","InChI=1S/C28H39N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,22,24,26H,13-21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m0/s1","K11017, bound form","2003-02-11","2024-09-27","N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide",""],["O36","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione","C20 H18 N2 O5","CN1C(=O)N(CC#C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O;Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C)C(=O)C3=C(CCCC3=O)O","InChI=1S/C20H18N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h1,8-9,23H,5-7,10H2,2-3H3","","2023-01-20","2023-12-15","1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione","2023-12-20"],["C1Q","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide","C40 H71 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCc2ccccc2;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCc2ccccc2;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O","InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1","(2S,3S,4R)-N-PHENYLDECANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL","2009-04-07","2020-06-17","N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide",""],["C1R","4-PIPERIDINEBUTYRATE","C9 H17 N O","O=CCCCC1CCNCC1;O=CCCCC1CCNCC1;C1CNCCC1CCCC=O","InChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2","4-PIPERIDIN-4-YLBUTANAL","2006-02-06","2024-09-27","4-piperidin-4-ylbutanal",""],["O37","N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide","C29 H31 F N4 O2","N(C(c1cc(C)ccc1)=O)C2C(=O)N(CC)c4c(C2c3ccc(cc3)F)c(C)nn4C5CC=CCC5;CCN1C(=O)[CH](NC(=O)c2cccc(C)c2)[CH](c3ccc(F)cc3)c4c(C)nn([CH]5CCC=CC5)c14;CCN1c2c(c(nn2C3CCC=CC3)C)C(C(C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F","InChI=1S/C29H31FN4O2/c1-4-33-28-24(19(3)32-34(28)23-11-6-5-7-12-23)25(20-13-15-22(30)16-14-20)26(29(33)36)31-27(35)21-10-8-9-18(2)17-21/h5-6,8-10,13-17,23,25-26H,4,7,11-12H2,1-3H3,(H,31,35)/t23-,25+,26+/m1/s1","","2019-06-05","2019-09-06","N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide","2019-09-11"],["O38","6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile","C24 H25 N7 O","N#Cc2ccc(nc2NC1CCCCC1)Nc4cc(OCC#N)c(c3cn(nc3)C)cc4;Cn1cc(cn1)c2ccc(Nc3ccc(C#N)c(NC4CCCCC4)n3)cc2OCC#N;Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N","InChI=1S/C24H25N7O/c1-31-16-18(15-27-31)21-9-8-20(13-22(21)32-12-11-25)28-23-10-7-17(14-26)24(30-23)29-19-5-3-2-4-6-19/h7-10,13,15-16,19H,2-6,12H2,1H3,(H2,28,29,30)","","2014-09-11","2015-04-03","6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile","2015-04-08"],["C1S","3-(prop-2-en-1-yldisulfanyl)-L-alanine","C6 H11 N O2 S2","O=C(O)C(N)CSSCC=C;N[CH](CSSCC=C)C(O)=O;C=CCSSCC(C(=O)O)N","InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1","","2013-09-19","2024-09-27","3-(prop-2-en-1-yldisulfanyl)-L-alanine","2014-11-12"],["O39","(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium","C50 H40 Ir N6 O S","O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)CCSCc1cccnc1;O=C(CCSCc1cccnc1)NCc2ccc(nc2)c3ccccn3.[Ir](c4ccccc4c5ccc6ccccc6n5)c7ccccc7c8ccc9ccccc9n8;c1ccc2c(c1)C=CC3=[N]2[Ir]45(c6c3cccc6)(c7ccccc7C8=[N]4c9ccccc9C=C8)[N]1=C(C=CC=C1)C1=[N]5C=C(C=C1)CNC(=O)CCSCc1cccnc1","InChI=1S/C20H20N4OS.2C15H10N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-7,9-10,12-13H,8,11,14-15H2,(H,24,25);2*1-6,8-11H;","","2022-04-20","2022-08-26","(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium","2022-08-31"],["C1T","S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-L-cysteine","C10 H13 N O6 S","CC1=C(O)C(=O)[CH](SC[CH](N)C(O)=O)[CH](O)C1=O;CC1=C(C(=O)C(C(C1=O)O)SCC(C(=O)O)N)O","InChI=1S/C10H13NO6S/c1-3-5(12)7(14)9(8(15)6(3)13)18-2-4(11)10(16)17/h4,7,9,13-14H,2,11H2,1H3,(H,16,17)/t4-,7+,9-/m0/s1","","2009-12-07","2011-06-04","(2R)-2-azanyl-3-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxo-cyclohex-3-en-1-yl]sulfanyl-propanoic acid",""],["CT7","(5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE","C13 H11 Cl N4 O2 S","O=S(=O)(c1ccc(cc1)Nc3cc(Cl)nc2ccnn23)C;C[S](=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1;CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl","InChI=1S/C13H11ClN4O2S/c1-21(19,20)10-4-2-9(3-5-10)16-13-8-11(14)17-12-6-7-15-18(12)13/h2-8,16H,1H3","","2005-01-13","2011-06-04","5-chloro-N-[4-(methylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine",""],["O3A","(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide","C12 H16 N2 O","N(C(C1CCNC1)=O)(c2ccccc2)C;CN(C(=O)[CH]1CCNC1)c2ccccc2;CN(c1ccccc1)C(=O)C2CCNC2","InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1","","2019-06-06","2019-08-16","(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide","2019-08-21"],["O3B","(4-sulfamoylphenyl)boronic acid","C6 H8 B N O4 S","N[S](=O)(=O)c1ccc(cc1)B(O)O;B(c1ccc(cc1)S(=O)(=O)N)(O)O","InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)","","2020-01-22","2021-01-29","(4-sulfamoylphenyl)boronic acid","2021-02-03"],["CT8","(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE","C17 H14 Br N6","Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4;Brc1cccc(c1)c2cc(NCc3ccncc3)[n+]4[nH]cnc4n2;c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4","InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1","TRIAZOLOPYRIMIDINE","2005-11-08","2020-06-17","5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium",""],["CT9","4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE","C23 H33 N7 O2 S","O=S(=O)(N(C)C)c1ccc(cc1)Nc2cc(nc3c(cnn23)C(C)C)NC4CCC(N)CC4;CC(C)c1cnn2c(Nc3ccc(cc3)[S](=O)(=O)N(C)C)cc(N[CH]4CC[CH](N)CC4)nc12;CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N","InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17-","","2005-01-17","2011-06-04","4-({5-[(trans-4-aminocyclohexyl)amino]-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzenesulfonamide",""],["O3D","4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione","C9 H13 N O3 S","N1(CCS(CC1)(=O)=O)Cc2ccco2;O=[S]1(=O)CCN(CC1)Cc2occc2;c1cc(oc1)CN2CCS(=O)(=O)CC2","InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2","","2019-06-06","2019-08-16","4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione","2019-08-21"],["O3E","~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide","C31 H28 N4 O5","COc1ccc2c(Oc3cnc(CC(=O)Nc4ccc5N=C(OC(C)(C)c5c4)C#CC)c(OC)c3)ccnc2c1;CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC","InChI=1S/C31H28N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,17H2,1-5H3,(H,34,36)","","2020-01-22","2020-05-22","~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide","2020-05-27"],["CTA","CYCLOTHEONAMIDE A","C36 H45 N9 O8","O=C1N4C(C(=O)NC(C(=O)C(=O)NC(C(=O)NC(C=CC(=O)NCC1NC=O)Cc2ccc(O)cc2)Cc3ccccc3)CCCNC(=[N@H])N)CCC4;NC(=N)NCCC[CH]1NC(=O)[CH]2CCCN2C(=O)[CH](CNC(=O)C=C[CH](Cc3ccc(O)cc3)NC(=O)[CH](Cc4ccccc4)NC(=O)C1=O)NC=O;c1ccc(cc1)CC2C(=O)NC(C=CC(=O)NCC(C(=O)N3CCCC3C(=O)NC(C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O","InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1","","1999-07-08","2024-09-27","1-{3-[(3S,7R,10S,11E,16S,21aS)-7-benzyl-16-(formylamino)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-3-yl]propyl}guanidine",""],["CTB","N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID","C7 H10 B N O3 S","O=C(NCB(O)O)Cc1sccc1;OB(O)CNC(=O)Cc1sccc1;B(CNC(=O)Cc1cccs1)(O)O","InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)","","2000-09-26","2024-09-27","{[(thiophen-2-ylacetyl)amino]methyl}boronic acid",""],["O3F","2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide","C23 H31 Cl2 N3 O3","ClCC(=O)NCC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1;c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C4)CNC(=O)CCl)Cl","InChI=1S/C23H31Cl2N3O3/c24-15-20(29)26-16-17-13-22(14-17)5-9-28(10-6-22)21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,29)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide","2023-09-20"],["CTC","7-CHLOROTETRACYCLINE","C22 H23 Cl N2 O8","Clc1c4c(c(O)cc1)C(=O)C3=C(O)C2(O)C(=O)C(=C(O)C(N(C)C)C2CC3C4(O)C)C(=O)N;CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)ccc(Cl)c4[C]3(C)O;CC1(c2c(ccc(c2C(=O)C3=C(C4(C(CC31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O","InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1","","1999-07-08","2011-06-04","(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["O3G","N-benzyl-1-(4-fluorophenyl)methanamine","C14 H14 F N","N(Cc1ccc(F)cc1)Cc2ccccc2;Fc1ccc(CNCc2ccccc2)cc1;c1ccc(cc1)CNCc2ccc(cc2)F","InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2","","2019-06-06","2019-08-16","N-benzyl-1-(4-fluorophenyl)methanamine","2019-08-21"],["O3H","2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one","C19 H21 N5 O S","O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4;c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4","InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)","","2020-01-22","2020-05-29","2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one","2020-06-03"],["CTD","3-DEAZACYTIDINE","C10 H14 N2 O5","O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO;NC1=CC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O;C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O","InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1","","1999-07-08","2011-06-04","4-amino-1-beta-D-ribofuranosylpyridin-2(1H)-one",""],["O3I","2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide","C21 H17 Cl F2 N2 O","O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F;Cc1ccc(c(F)c1F)c2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2;Cc1ccc(c(c1F)F)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C","InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27)","","2023-08-16","2023-11-03","2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide","2023-11-08"],["CTE","7-CHLOROTRYPTOPHAN","C11 H11 Cl N2 O2","O=C(O)C(N)Cc2c1cccc(Cl)c1nc2;N[CH](Cc1c[nH]c2c(Cl)cccc12)C(O)=O;c1cc2c(c[nH]c2c(c1)Cl)CC(C(=O)O)N","InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1","","2005-08-31","2024-09-27","7-chloro-L-tryptophan",""],["CTF","(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate","C21 H28 N2 O4 S","O=S(=O)(Oc1cc3c(cc1OC)C2CCC4(C(CCC4C2CC3)CC#N)C)N;COc1cc2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O[S](N)(=O)=O)CC#N;CC12CCC3c4cc(c(cc4CCC3C1CCC2CC#N)OS(=O)(=O)N)OC","InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1","2-methoxy-17beta-cyanomethylestra-1,3,5,(10)-trien-3-O-sulfamate, 19-Norpregna-1,3,5(10)-triene-21-nitrile,3-[(aminosulfonyl)oxy]-2-methoxy","2007-11-22","2021-03-13","(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate",""],["O3J","1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one","C15 H22 N2 O","N2(CCCc1ccccc1)CCN(C(C)=O)CC2;CC(=O)N1CCN(CCCc2ccccc2)CC1;CC(=O)N1CCN(CC1)CCCc2ccccc2","InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3","","2019-06-06","2019-08-16","1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one","2019-08-21"],["O3K","2-bromanyl-N-decyl-ethanamide","C12 H24 Br N O","CCCCCCCCCCNC(=O)CBr;CCCCCCCCCCNC(=O)CBr","InChI=1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)","2-bromo-N-decyl acetamide (C10) ","2020-01-23","2024-09-27","2-bromanyl-~{N}-decyl-ethanamide","2024-03-20"],["CTG","(5R,6S)-5,6-DIHYDRO-5,6-DIHYDROXYTHYMIDINE-5'-MONOPHOSPHATE","C10 H17 N2 O10 P","O=C1N(C(O)C(O)(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O;C[C]1(O)[CH](O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1(C(N(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)O)O","InChI=1S/C10H17N2O10P/c1-10(17)7(14)11-9(16)12(8(10)15)6-2-4(13)5(22-6)3-21-23(18,19)20/h4-6,8,13,15,17H,2-3H2,1H3,(H,11,14,16)(H2,18,19,20)/t4-,5+,6+,8-,10-/m0/s1","","2006-09-13","2011-06-04","5,6-dihydroxythymidine 5'-(dihydrogen phosphate)",""],["O3L","(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium","C42 H36 Ir N6 O S","O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccccn53)(c3ccccc3c3ccccn34)n2c1)CCSCc1cccnc1;O=C(CCSCc1cccnc1)NCc2ccc(nc2)c3ccccn3.[Ir](c4ccccc4c5ccccn5)c6ccccc6c7ccccn7;c1ccc2c(c1)C3=[N]([Ir]245(c6ccccc6C7=[N]4C=CC=C7)[N]8=CC=CC=C8C9=CC=C(C=[N]59)CNC(=O)CCSCc1cccnc1)C=CC=C3","InChI=1S/C20H20N4OS.2C11H8N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-10,12-13H,8,11,14-15H2,(H,24,25);2*1-6,8-9H;","","2022-04-20","2022-08-26","(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium","2022-08-31"],["CTH","4-CHLOROTHREONINE","C4 H8 Cl N O3","O=C(O)C(N)C(O)CCl;N[CH]([CH](O)CCl)C(O)=O;C(C(C(C(=O)O)N)O)Cl","InChI=1S/C4H8ClNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1","","1999-07-08","2024-09-27","4-chloro-L-threonine",""],["O3M","4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol","C16 H17 N O","C(N1CCc2c(C1)cccc2)c3ccc(cc3)O;Oc1ccc(CN2CCc3ccccc3C2)cc1;c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O","InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2","","2019-06-06","2019-08-16","4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol","2019-08-21"],["CTI","1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium","C21 H18 N O4","O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5;COc1ccc2c3ccc4cc5OCOc5cc4c3[n+](C)cc2c1OC;C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5","InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1","chelerythrine","2010-12-21","2024-09-27","1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium",""],["O3N","(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C31 H38 N2 O7","O=C(NCC1CCCCC1)c2ccccc2CN(C/C=C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;OC(=O)CC[CH]1COc2c(O1)ccc(CN(CC=C)Cc3ccccc3C(=O)NCC4CCCCC4)c2C(O)=O;C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C31H38N2O7/c1-2-16-33(18-22-10-6-7-11-25(22)30(36)32-17-21-8-4-3-5-9-21)19-23-12-14-26-29(28(23)31(37)38)39-20-24(40-26)13-15-27(34)35/h2,6-7,10-12,14,21,24H,1,3-5,8-9,13,15-20H2,(H,32,36)(H,34,35)(H,37,38)/t24-/m0/s1","","2011-06-30","2014-09-05","(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",""],["CTJ","1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium","C22 H25 N6 O7 S2","O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NC(C=O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3)(C)C;CC(C)(ON=C(C(=O)N[CH](C=O)[CH]1NC(=C(CS1)C[n+]2ccccc2)C(O)=O)c3csc(N)n3)C(O)=O;CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(=C(CS2)C[n+]3ccccc3)C(=O)O","InChI=1S/C22H24N6O7S2/c1-22(2,20(33)34)35-27-16(14-11-37-21(23)25-14)17(30)24-13(9-29)18-26-15(19(31)32)12(10-36-18)8-28-6-4-3-5-7-28/h3-7,9,11,13,18,26H,8,10H2,1-2H3,(H4-,23,24,25,30,31,32,33,34)/p+1/b27-16-/t13-,18-/m1/s1","","2010-10-12","2024-09-27","1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium",""],["O3O","2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide","C21 H30 Cl2 N4 O2","ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl","InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide","2023-09-20"],["CTK","2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid","C9 H13 N3 O4 S","C[S](=O)(=O)NCCNc1cc(ccn1)C(O)=O;CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O","InChI=1S/C9H13N3O4S/c1-17(15,16)12-5-4-11-8-6-7(9(13)14)2-3-10-8/h2-3,6,12H,4-5H2,1H3,(H,10,11)(H,13,14)","","2017-12-03","2018-12-07","2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid","2018-12-12"],["O3P","N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide","C17 H22 N4 O","C(N)CN(C)Cc2cncc2c1cccc(c1)NC([C@H]=C)=O;CN(CCN)Cc1c[nH]cc1c2cccc(NC(=O)C=C)c2;CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C","InChI=1S/C17H22N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h3-6,9-11,19H,1,7-8,12,18H2,2H3,(H,20,22)","","2019-06-06","2019-06-21","N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide","2019-06-26"],["CTL","CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL","C10 H13 N O","OC2c1ccccc1CCC2N;N[CH]1CCc2ccccc2[CH]1O;c1ccc2c(c1)CCC(C2O)N","InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1","CIS-(1R,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE; CIS-(1R,2S)-2-AMINO-1-TETRALOL","2005-08-12","2020-05-27","(1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol",""],["CTM","(2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid","C22 H22 Cl N O4 S","O=C(O)C(OCC)Cc3c(cc(OCc1nc(sc1)c2ccc(Cl)cc2)cc3)C;CCO[CH](Cc1ccc(OCc2csc(n2)c3ccc(Cl)cc3)cc1C)C(O)=O;CCOC(Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O","InChI=1S/C22H22ClNO4S/c1-3-27-20(22(25)26)11-16-6-9-19(10-14(16)2)28-12-18-13-29-21(24-18)15-4-7-17(23)8-5-15/h4-10,13,20H,3,11-12H2,1-2H3,(H,25,26)/t20-/m0/s1","3-{4-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-2-methyl-phenyl}-2-(S)-ethoxy-propionic acid","2008-12-02","2021-03-01","(2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid",""],["O3Q","3-butyl-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one","C17 H19 N5 O3","CCCCN1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O;CCCCN1C(=O)c2c(c(ccc2N=N1)C(=O)C3=CNN(C3=O)C)C","InChI=1S/C17H19N5O3/c1-4-5-8-22-17(25)14-10(2)11(6-7-13(14)19-20-22)15(23)12-9-18-21(3)16(12)24/h6-7,9,18H,4-5,8H2,1-3H3","","2023-01-20","2023-12-15","3-butyl-5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one","2023-12-20"],["CTN","4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE","C9 H13 N3 O5","O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O","InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1","CYTIDINE","2003-05-20","2021-03-01","cytidine",""],["O3R","6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide","C13 H13 Cl2 N3 O2 S","CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(cn1)S(N)(=O)=O;CN(Cc1ccc(Cl)c(Cl)c1)c2ccc(cn2)[S](N)(=O)=O;CN(Cc1ccc(c(c1)Cl)Cl)c2ccc(cn2)S(=O)(=O)N","InChI=1S/C13H13Cl2N3O2S/c1-18(8-9-2-4-11(14)12(15)6-9)13-5-3-10(7-17-13)21(16,19)20/h2-7H,8H2,1H3,(H2,16,19,20)","","2022-04-21","2023-04-21","6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide","2023-04-26"],["CTO","TRIACETYLCHITOTRIOSE","C24 H41 N3 O16","O=C(NC3C(O)C(O)C(OC3OC2C(OC(OC1C(OC(O)C(NC(=O)C)C1O)CO)C(NC(=O)C)C2O)CO)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)[CH](O)[CH]2NC(C)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)NC(=O)C)O","InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1","CHITOTRIOSE","1999-07-08","2020-07-17","2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose",""],["O3S","N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide","C17 H24 N4 O","CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN;CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN;CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN","InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)","","2019-06-06","2024-09-27","N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide","2019-06-26"],["CTP","CYTIDINE-5'-TRIPHOSPHATE","C9 H16 N3 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","cytidine 5'-(tetrahydrogen triphosphate)",""],["O3T","2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","C21 H26 Cl2 F2 N2 O3","FC1(F)CCC(CC1)(Oc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl;c1cc(ccc1OC2(CCC(CC2)(F)F)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C21H26Cl2F2N2O3/c22-13-18(28)26-14-15-5-11-27(12-6-15)19(29)20(7-9-21(24,25)10-8-20)30-17-3-1-16(23)2-4-17/h1-4,15H,5-14H2,(H,26,28)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["O3U","N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide","C15 H18 N4 O S","CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N;CSC1=C(C#N)C2(CCCCC2)[CH](C#N)C(=N1)NC(C)=O;CC(=O)NC1=NC(=C(C2(C1C#N)CCCCC2)C#N)SC","InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1","","2023-08-16","2024-09-27","N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide","2023-11-08"],["CTQ","(2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C102 H190 N2 O32 P2","CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O;CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)O)C(=O)O)OCC3C(C(C(C(O3)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC","InChI=1S/C102H190N2O32P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(113)129-80(66-60-54-48-42-35-29-23-17-11-5)72-90(115)133-98-92(104-86(111)71-79(65-59-53-47-41-34-28-22-16-10-4)128-87(112)67-61-55-49-43-36-30-24-18-12-6)99(131-84(96(98)135-137(120,121)122)76-127-102(101(118)119)73-81(108)93(116)95(134-102)82(109)74-105)126-75-83-94(117)97(132-89(114)70-78(107)64-58-52-46-40-33-27-21-15-9-3)91(100(130-83)136-138(123,124)125)103-85(110)69-77(106)63-57-51-45-39-32-26-20-14-8-2/h77-84,91-100,105-109,116-117H,7-76H2,1-6H3,(H,103,110)(H,104,111)(H,118,119)(H2,120,121,122)(H2,123,124,125)/t77-,78-,79-,80+,81-,82-,83-,84-,91+,92-,93+,94+,95+,96-,97-,98+,99+,100+,102-/m1/s1","","2023-07-17","2024-01-26","(2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2024-01-31"],["O3V","3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","C22 H19 N3 O2 S","c31nc5c(c(c1c(n(c2ccccc2)n3)O)c4cccs4)C(CC(C)(C5)C)=O;CC1(C)CC(=O)c2c(C1)nc3nn(c(O)c3c2c4sccc4)c5ccccc5;CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C","InChI=1S/C22H19N3O2S/c1-22(2)11-14-17(15(26)12-22)18(16-9-6-10-28-16)19-20(23-14)24-25(21(19)27)13-7-4-3-5-8-13/h3-10,27H,11-12H2,1-2H3","","2019-06-07","2019-08-23","3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","2019-08-28"],["CTR","CELLOTRIOSE","C18 H32 O16","O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1","Dextrin","1999-07-08","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose",""],["O3W","~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C10 H13 N O S","CN(CCS)C(=O)c1ccccc1;CN(CCS)C(=O)c1ccccc1","InChI=1S/C10H13NOS/c1-11(7-8-13)10(12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3","","2020-01-27","2020-11-13","~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2020-11-18"],["CTS","CASTANOSPERMINE","C8 H15 N O4","OC1CCN2C1C(O)C(O)C(O)C2;O[CH]1CCN2C[CH](O)[CH](O)[CH](O)[CH]12;C1CN2CC(C(C(C2C1O)O)O)O","InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1","(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE","2000-04-10","2020-06-17","(1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol",""],["O3Y","4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","C24 H20 Cl N3 O2","c24nc1CC(C)(C)CC(c1c(c2c(n(c3ccccc3)n4)O)c5c(Cl)cccc5)=O;CC1(C)CC(=O)c2c(C1)nc3nn(c(O)c3c2c4ccccc4Cl)c5ccccc5;CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C","InChI=1S/C24H20ClN3O2/c1-24(2)12-17-20(18(29)13-24)19(15-10-6-7-11-16(15)25)21-22(26-17)27-28(23(21)30)14-8-4-3-5-9-14/h3-11,30H,12-13H2,1-2H3","","2019-06-07","2019-08-23","4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","2019-08-28"],["CTT","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose","C24 H42 O21","O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O)O[CH]4CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O","InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1","CELLOTETRAOSE","1999-07-08","2020-07-17","beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",""],["O3Z","(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid","C11 H17 N2 O8 P","Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O","InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m1/s1","","2020-01-28","2024-09-27","(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid","2020-04-15"],["CTU","3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one","C29 H22 Cl F N4 O3","CC(C1=NOC(=O)N1)=C2c3ccc(Cc4n5cccc(Cl)c5nc4C6CC6)cc3COc7cc(F)ccc27;CC(=C1c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)C7=NOC(=O)N7","InChI=1S/C29H22ClFN4O3/c1-15(27-33-29(36)38-34-27)25-20-8-4-16(11-18(20)14-37-24-13-19(31)7-9-21(24)25)12-23-26(17-5-6-17)32-28-22(30)3-2-10-35(23)28/h2-4,7-11,13,17H,5-6,12,14H2,1H3,(H,33,34,36)/b25-15+","","2019-05-15","2019-10-25","3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one","2019-10-30"],["O40","4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid","C23 H24 F3 N3 O5","O=C(O)c1ccc(cc1)NC(=O)N(C)CCCOc3ccc2c(onc2C(F)(F)F)c3CCC;CCCc1c(OCCCN(C)C(=O)Nc2ccc(cc2)C(O)=O)ccc3c1onc3C(F)(F)F;CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O","InChI=1S/C23H24F3N3O5/c1-3-5-16-18(11-10-17-19(16)34-28-20(17)23(24,25)26)33-13-4-12-29(2)22(32)27-15-8-6-14(7-9-15)21(30)31/h6-11H,3-5,12-13H2,1-2H3,(H,27,32)(H,30,31)","","2009-08-19","2011-06-04","4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid",""],["CTV","(2Z)-3,7-dimethylocta-2,6-dienenitrile","C10 H15 N","N#CC=C(/CC/C=C(/C)C)C;CC(C)=CCCC(C)=CC#N;CC(=CCCC(=CC#N)C)C","InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-","citralva","2011-05-17","2021-03-01","(2Z)-3,7-dimethylocta-2,6-dienenitrile",""],["CTW","N-(4-fluorobenzoyl)-L-gamma-glutamyl-5-{[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-L-norvaline","C22 H29 F N3 O13 P","O=C(c1ccc(F)cc1)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCCOP(=O)(O)NC(C(=O)O)CCC(=O)O;OC(=O)CC[CH](N[P](O)(=O)OCCC[CH](NC(=O)CC[CH](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O;c1cc(ccc1C(=O)NC(CCC(=O)NC(CCCOP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F","InChI=1S/C22H29FN3O13P/c23-13-5-3-12(4-6-13)19(30)25-15(21(33)34)7-9-17(27)24-14(20(31)32)2-1-11-39-40(37,38)26-16(22(35)36)8-10-18(28)29/h3-6,14-16H,1-2,7-11H2,(H,24,27)(H,25,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,26,37,38)/t14-,15-,16-/m0/s1","","2013-07-31","2014-12-26","N-(4-fluorobenzoyl)-L-gamma-glutamyl-5-{[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-L-norvaline","2014-12-31"],["O41","5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide","C13 H19 N3 O4 S","C1N(CCC(C1)NC(=O)c3cc(C2CC2)on3)S(C)(=O)=O;C[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3;CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3","InChI=1S/C13H19N3O4S/c1-21(18,19)16-6-4-10(5-7-16)14-13(17)11-8-12(20-15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,17)","","2019-06-07","2020-01-10","5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide","2020-01-15"],["CTX","(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE","C26 H29 N O","O(c1ccc(cc1)/C(c2ccccc2)=C(c3ccccc3)CC)CCN(C)C;CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCN(C)C)cc3;CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3","InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-","TRANS FORM OF TAMOXIFEN","2005-01-14","2021-03-01","2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine",""],["O42","4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide","C18 H19 N3 O4 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3;c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)","","2020-01-28","2020-05-29","4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide","2020-06-03"],["O43","4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide","C28 H36 N6 O2","O=C(NC1CC1)c2ccc(cc2)c4cnc5c(NCC3CCOCC3)cc(nn45)NC6CCCCC6;O=C(NC1CC1)c2ccc(cc2)c3cnc4n3nc(NC5CCCCC5)cc4NCC6CCOCC6;c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6","InChI=1S/C28H36N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,33)(H,32,35)","","2014-10-02","2015-02-06","4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide","2015-02-11"],["CTY","CLARITHROMYCIN","C38 H69 N O13","O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(OC)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH](O)[C]1(C)O)OC;CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O","InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1","","2001-09-18","2011-06-04","(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)",""],["C","CYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O8 P","O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","5'-cytidylic acid",""],["O44","4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride","C25 H27 F N8 O3 S","O=S(=O)(c1ccc(cc1)CN2CCN(CC2)c3nc(C(NCC#C)=O)cc(n3)Nc4cc(nn4)C5CC5)F;F[S](=O)(=O)c1ccc(CN2CCN(CC2)c3nc(Nc4[nH]nc(c4)C5CC5)cc(n3)C(=O)NCC#C)cc1;C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5","InChI=1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)","","2016-06-01","2024-09-27","4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride","2017-01-25"],["CTZ","C2-HYDROXY-COELENTERAZINE","C26 H21 N3 O4","O=C1N3C=C(N=C(C3=NC1(O)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5;Oc1ccc(C[C]2(O)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1;c1ccc(cc1)CC2=NC(=CN3C2=NC(C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O","InChI=1S/C26H21N3O4/c30-20-10-6-18(7-11-20)15-26(33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1","8-BENZYL-2-HYDROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE","2000-03-21","2021-03-13","(2S)-8-benzyl-2-hydroxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one",""],["O45","2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid","C6 H9 N O4","CC(=C)CONC(=O)C(O)=O;CC(=C)CONC(=O)C(=O)O","InChI=1S/C6H9NO4/c1-4(2)3-11-7-5(8)6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10)","","2020-01-29","2020-02-21","2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid","2020-02-26"],["CU","COPPER (II) ION","Cu","[Cu+2];[Cu++];[Cu+2]","InChI=1S/Cu/q+2","","1999-07-08","2011-06-04","copper(2+)",""],["O46","N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide","C19 H20 F N O3","O=C(NC1(CCOCC1)c1cccc(F)c1)Cc1cccc(O)c1;Oc1cccc(CC(=O)NC2(CCOCC2)c3cccc(F)c3)c1;c1cc(cc(c1)O)CC(=O)NC2(CCOCC2)c3cccc(c3)F","InChI=1S/C19H20FNO3/c20-16-5-2-4-15(13-16)19(7-9-24-10-8-19)21-18(23)12-14-3-1-6-17(22)11-14/h1-6,11,13,22H,7-10,12H2,(H,21,23)","","2022-04-21","2023-04-21","N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide","2023-04-26"],["CU0","[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","C5 H12 O10 P2","O[CH]1CO[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]1O;C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C5H12O10P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5-/m0/s1","","2019-05-15","2020-05-01","[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2020-05-06"],["O47","3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide","C18 H19 F3 N4 O","FC(F)(F)c2cc(C(=O)N(C)C)cc(c1nc(nc(c1)CCC)C=[N@H])c2;CCCc1cc(nc(C=N)n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C;CCCc1cc(nc(n1)C=N)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C","InChI=1S/C18H19F3N4O/c1-4-5-14-9-15(24-16(10-22)23-14)11-6-12(17(26)25(2)3)8-13(7-11)18(19,20)21/h6-10,22H,4-5H2,1-3H3/b22-10+","","2010-07-21","2011-06-04","3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide",""],["CU1","COPPER (I) ION","Cu","[Cu+];[Cu+];[Cu+]","InChI=1S/Cu/q+1","","1999-07-08","2011-06-04","copper(1+)",""],["O48","decyl sulfamate","C10 H23 N O3 S","O=S(=O)(OCCCCCCCCCC)N;CCCCCCCCCCO[S](N)(=O)=O;CCCCCCCCCCOS(=O)(=O)N","InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)","n-decyl sulfamate","2009-07-20","2020-06-17","decyl sulfamate",""],["CU3","COPPER (III) ION","Cu","[Cu+3];[Cu+3]","InChI=1S/Cu/q+3","","2007-10-11","2011-06-04","copper(+3) cation",""],["O49","2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","C20 H26 Cl2 N2 O4","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3;c1cc(ccc1OC2(CCOCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C20H26Cl2N2O4/c21-13-18(25)23-14-15-5-9-24(10-6-15)19(26)20(7-11-27-12-8-20)28-17-3-1-16(22)2-4-17/h1-4,15H,5-14H2,(H,23,25)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["O4A","N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide","C21 H19 N3 O4","c32c1cc(C)ccc1OCc2cnn3CC(Nc5cc4OCCOc4cc5)=O;Cc1ccc2OCc3cnn(CC(=O)Nc4ccc5OCCOc5c4)c3c2c1;Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2","InChI=1S/C21H19N3O4/c1-13-2-4-17-16(8-13)21-14(12-28-17)10-22-24(21)11-20(25)23-15-3-5-18-19(9-15)27-7-6-26-18/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,25)","","2019-06-07","2019-08-23","N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide","2019-08-28"],["CU4","1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide","C24 H17 F N4 O3 S","CS(c1ccc(cc1)c3c(cn(c2ccc(cc2)C#N)n3)C(=O)Nc4cc(ccc4)F)(=O)=O;C[S](=O)(=O)c1ccc(cc1)c2nn(cc2C(=O)Nc3cccc(F)c3)c4ccc(cc4)C#N;CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F","InChI=1S/C24H17FN4O3S/c1-33(31,32)21-11-7-17(8-12-21)23-22(24(30)27-19-4-2-3-18(25)13-19)15-29(28-23)20-9-5-16(14-26)6-10-20/h2-13,15H,1H3,(H,27,30)","","2017-10-02","2018-01-05","1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide","2018-01-10"],["O4B","1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE","C12 H24 O6","O1CCOCCOCCOCCOCCOCC1;C1COCCOCCOCCOCCOCCO1;C1COCCOCCOCCOCCOCCO1","InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2","","2013-03-11","2014-09-05","1,4,7,10,13,16-hexaoxacyclooctadecane","2013-12-18"],["CU5","S-Dihydrowogonin","C16 H14 O5","COc1c(O)cc(O)c2C(=O)C[CH](Oc12)c3ccccc3;COc1c(cc(c2c1OC(CC2=O)c3ccccc3)O)O","InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1","","2017-12-05","2018-06-01","(2~{S})-8-methoxy-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one","2018-06-06"],["O4C","5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one","C16 H17 N5 O3","CC(C)N1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O;Cc1c(ccc2c1C(=O)N(N=N2)C(C)C)C(=O)C3=CNN(C3=O)C","InChI=1S/C16H17N5O3/c1-8(2)21-16(24)13-9(3)10(5-6-12(13)18-19-21)14(22)11-7-17-20(4)15(11)23/h5-8,17H,1-4H3","","2023-01-20","2023-12-15","5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one","2023-12-20"],["CU6","[CuII(biot-et-dpea)]2+","C26 H36 Cu N6 O4 S","O.O.[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4;C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6","InChI=1S/C26H36N6O2S.Cu.2H2O/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;;;/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);;2*1H2/q;+2;;/p-2/t22-,23-,25-;;;/m0.../s1","","2016-05-23","2016-07-15","","2016-07-20"],["O4D","2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide","C21 H28 N6 O2","c2(c3c(n(CC(NCCCN1CCOCC1)=O)n2)nc(cc3C)C)n4cccc4;Cc1cc(C)c2c(n1)n(CC(=O)NCCCN3CCOCC3)nc2n4cccc4;Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C","InChI=1S/C21H28N6O2/c1-16-14-17(2)23-20-19(16)21(26-8-3-4-9-26)24-27(20)15-18(28)22-6-5-7-25-10-12-29-13-11-25/h3-4,8-9,14H,5-7,10-13,15H2,1-2H3,(H,22,28)","","2019-06-07","2019-08-23","2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide","2019-08-28"],["CU7","(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate","C6 H15 O8 P","C(C(COP(OCC(CO)O)(O)=O)O)O;OC[CH](O)CO[P](O)(=O)OC[CH](O)CO;C(C(COP(=O)(O)OCC(CO)O)O)O","InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+","","2017-10-02","2018-09-28","(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate","2018-10-03"],["O4E","3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","C10 H12 Br N O S","CN(CCS)C(=O)c1cccc(Br)c1;CN(CCS)C(=O)c1cccc(c1)Br","InChI=1S/C10H12BrNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3","","2020-01-30","2020-11-13","3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide","2020-11-18"],["CU8","7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","C14 H12 N4 O","Cc1cccc(c1)c2ccnc3n2ncc3C(N)=O;Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N","InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)","","2017-01-19","2017-12-08","7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","2017-12-13"],["O4F","N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide","C16 H20 N4 O","N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C;Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N;Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N","InChI=1S/C16H20N4O/c1-12-10-18-7-2-14(12)20-8-3-13(4-9-20)15(21)19-16(11-17)5-6-16/h2,7,10,13H,3-6,8-9H2,1H3,(H,19,21)","","2022-04-21","2023-04-21","N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide","2023-04-26"],["CU9","6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium","C40 H48 N2 O6","O(c7ccc5cc7Oc1cc2c(cc1OC)CC[N+](C2Cc6ccc(Oc3c4c(cc(OC)c3OC)CC[N+](C)(C)C4C5)cc6)(C)C)C;COc1ccc2C[CH]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[CH]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5;C[N+]1(CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+](C6Cc7ccc(c(c7)O3)OC)(C)C)OC)C","InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1","metocurine","2010-10-29","2020-06-17","6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium",""],["CUA","DINUCLEAR COPPER ION","Cu2","[Cu][Cu];[Cu][Cu];[Cu][Cu]","InChI=1S/2Cu","","1999-07-08","2011-06-04","dicopper(Cu-Cu)",""],["O4G","N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide","C20 H16 N2 O5","C(Nc1cc(ccc1)NC(c3ccc2OCCOc2c3)=O)(c4ccco4)=O;O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4occc4;c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4","InChI=1S/C20H16N2O5/c23-19(13-6-7-16-18(11-13)27-10-9-26-16)21-14-3-1-4-15(12-14)22-20(24)17-5-2-8-25-17/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)","","2019-06-07","2019-08-23","N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide","2019-08-28"],["CUB","CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER","C5 H9 Cu Mo N O2 S","[Cu+]N(CCCC)C12O[Mo+4]2(=O)S1;CCCCN([Cu+])[C]12O[Mo+4]1(=O)S2;CCCCN(C12O[Mo+4]1(=O)S2)[Cu+]","InChI=1S/C5H9NOS.Cu.Mo.O/c1-2-3-4-6-5(7)8;;;/h2-4H2,1H3;;;/q-3;+2;+6;","","2002-11-15","2011-06-07","mu-[(butylazanidyl-2kappaN)(oxido-1kappaO)(sulfido-1kappaS)methyl-1kappaC](oxo)molybdenumcopper(5+)",""],["O4I","2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide","C18 H24 Cl2 N2 O3","CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl;CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Oc2ccc(cc2)Cl","InChI=1S/C18H24Cl2N2O3/c1-18(2,25-15-5-3-14(20)4-6-15)17(24)22-9-7-13(8-10-22)12-21-16(23)11-19/h3-6,13H,7-12H2,1-2H3,(H,21,23)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide","2023-09-20"],["O4L","N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide","C17 H16 N4 O3","CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C;CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc23)c1C;Cc1cc(c(n1NC(=O)C2=NNC(=O)c3c2cccc3)C)C(=O)C","InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24)","","2023-08-16","2024-09-27","N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide","2023-11-08"],["CUC","CYCLOHEXYLGLYCYL ","C8 H15 N O2","O=C(O)C(N)C1CCCCC1;N[CH](C1CCCCC1)C(O)=O;C1CCC(CC1)C(C(=O)O)N","InChI=1/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1/f/h10H","","1999-07-08","2009-01-07","(2S)-amino(cyclohexyl)ethanoic acid",""],["CUD","3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine","C7 H10 N4 O3","O=C1N=C(C=CN1CC(C(=O)O)N)N;N[CH](CN1C=CC(=NC1=O)N)C(O)=O;C1=CN(C(=O)N=C1N)CC(C(=O)O)N","InChI=1S/C7H10N4O3/c8-4(6(12)13)3-11-2-1-5(9)10-7(11)14/h1-2,4H,3,8H2,(H,12,13)(H2,9,10,14)/t4-/m1/s1","","2008-02-12","2024-09-27","3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine",""],["O4M","MANGANESE TETRAHYDRATE ION","H8 Mn O4","O|[Mn++](|O)(|O)|O;[OH2][Mn+2]([OH2])([OH2])[OH2]","InChI=1/Mn.4H2O/h;4*1H2/q+2;;;;/rH8MnO4/c2-1(3,4)5/h2-5H2/q+2","","1999-07-08","2008-10-14","",""],["CUE","Coumestrol","C15 H8 O5","O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23;Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1;c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O","InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H","3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one","2009-09-29","2020-06-17","3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one",""],["O4N","5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL]METHYL-PROP-2-ENYL-AMINO]METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID","C31 H34 N2 O6","O=C(NC(c1ccc(OC)cc1)CCC)c2ccccc2CN(C/C=C)Cc3ccc4OCOc4c3C(=O)O;CCC[CH](NC(=O)c1ccccc1CN(CC=C)Cc2ccc3OCOc3c2C(O)=O)c4ccc(OC)cc4;CCCC(c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C31H34N2O6/c1-4-8-26(21-11-14-24(37-3)15-12-21)32-30(34)25-10-7-6-9-22(25)18-33(17-5-2)19-23-13-16-27-29(39-20-38-27)28(23)31(35)36/h5-7,9-16,26H,2,4,8,17-20H2,1,3H3,(H,32,34)(H,35,36)/t26-/m0/s1","","2011-06-30","2014-09-05","5-{[(2-{[(1S)-1-(4-methoxyphenyl)butyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid",""],["O4O","1,4-dimethyl-3-(oxan-4-ylmethyl)-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one","C22 H26 N2 O5","CN1C(=O)N(CC2CCOCC2)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O;Cc1c(ccc2c1N(C(=O)N2C)CC3CCOCC3)C(=O)C4=C(CCCC4=O)O","InChI=1S/C22H26N2O5/c1-13-15(21(27)19-17(25)4-3-5-18(19)26)6-7-16-20(13)24(22(28)23(16)2)12-14-8-10-29-11-9-14/h6-7,14,25H,3-5,8-12H2,1-2H3","","2023-01-20","2023-12-15","1,4-dimethyl-3-(oxan-4-ylmethyl)-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one","2023-12-20"],["CUF","[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II)","C34 H38 Cu F2 N4 O4","Fc8cc3c(N5=Cc7c(O[Cu]54Oc2cc(OCCN1CCCCC1)ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F;Fc1cc2N|3=Cc4ccc(OCCN5CCCCC5)cc4O[Cu]|6|3Oc7cc(OCCN8CCCCC8)ccc7C=N|6c2cc1F;c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F","InChI=1S/C34H40F2N4O4.Cu/c35-29-21-31(37-23-25-7-9-27(19-33(25)41)43-17-15-39-11-3-1-4-12-39)32(22-30(29)36)38-24-26-8-10-28(20-34(26)42)44-18-16-40-13-5-2-6-14-40;/h7-10,19-24,41-42H,1-6,11-18H2;/q;+2/p-2/b37-23+,38-24+;","N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Copper (II)","2011-03-03","2021-03-13","[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper",""],["CUG","(2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C14 H17 N5 O7 S2","N(C(C(=O)O)C1NC(C(O)=O)=C(CO)CS1)C(C(=NOC)c2csc(N)n2)=O;CON=C(C(=O)N[CH]([CH]1NC(=C(CO)CS1)C(O)=O)C(O)=O)c2csc(N)n2;CON=C(c1csc(n1)N)C(=O)NC(C2NC(=C(CS2)CO)C(=O)O)C(=O)O","InChI=1S/C14H17N5O7S2/c1-26-19-8(6-4-28-14(15)16-6)10(21)17-9(13(24)25)11-18-7(12(22)23)5(2-20)3-27-11/h4,9,11,18,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,22,23)(H,24,25)/b19-8+/t9-,11-/m1/s1","","2017-10-03","2018-06-22","(2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","2018-06-27"],["O4P","N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide","C23 H22 N2 O3 S","c1(cnc2ccccc12)C(N(C)C(COc3ccccc3OC)=O)c4cccs4;COc1ccccc1OCC(=O)N(C)[CH](c2sccc2)c3c[nH]c4ccccc34;CN(C(c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC","InChI=1S/C23H22N2O3S/c1-25(22(26)15-28-20-11-6-5-10-19(20)27-2)23(21-12-7-13-29-21)17-14-24-18-9-4-3-8-16(17)18/h3-14,23-24H,15H2,1-2H3/t23-/m1/s1","","2019-06-07","2019-08-23","N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide","2019-08-28"],["CUH","2,3,4-Trihydroxybenzophenone","C13 H10 O4","Oc1ccc(c(O)c1O)C(=O)c2ccccc2;c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O","InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H","","2017-12-05","2018-06-01","phenyl-[2,3,4-tris(oxidanyl)phenyl]methanone","2018-06-06"],["O4Q","(~{E})-4-chloranyl-3-methyl-but-3-enal","C5 H7 Cl O2","CC(CC(O)=O)=CCl;CC(=CCl)CC(=O)O","InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+","","2020-01-31","2024-09-27","(~{E})-4-chloranyl-3-methyl-but-3-enoic acid","2020-03-04"],["CUK","[4Cu:2S] cluster","Cu4 S2","[Cu][S]1([Cu])[Cu]S[Cu]1;S1[Cu]S([Cu]1)([Cu])[Cu]","InChI=1S/4Cu.2S","","2011-06-17","2011-08-05","(1-cuprio-1$l^{4},3-dithia-2$l^{2},4$l^{2}-dicupracyclobut-1-yl)copper",""],["O4R","2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide","C20 H27 Cl N2 O3","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccccc3;c1ccc(cc1)OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl","InChI=1S/C20H27ClN2O3/c21-14-18(24)22-15-16-8-12-23(13-9-16)19(25)20(10-4-5-11-20)26-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,22,24)","","2022-08-26","2024-09-27","2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-06"],["CUL","COPPER (II) CHLORIDE","Cl2 Cu","Cl[Cu]Cl;Cl[Cu]Cl;Cl[Cu]Cl","InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2","","1999-07-08","2011-06-04","copper(2+) dichloride",""],["O4S","N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide","C28 H34 N4 O3","C2(N(c1cc(ccc1N3CCCCC23)C(N4CCCC4)=O)CC(NCc5ccc(CC)cc5)=O)=O;CCc1ccc(CNC(=O)CN2C(=O)[CH]3CCCCN3c4ccc(cc24)C(=O)N5CCCC5)cc1;CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCCC4C2=O)C(=O)N5CCCC5","InChI=1S/C28H34N4O3/c1-2-20-8-10-21(11-9-20)18-29-26(33)19-32-25-17-22(27(34)30-14-5-6-15-30)12-13-23(25)31-16-4-3-7-24(31)28(32)35/h8-13,17,24H,2-7,14-16,18-19H2,1H3,(H,29,33)/t24-/m1/s1","","2019-06-07","2019-08-23","N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide","2019-08-28"],["O4T","~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide","C18 H20 Cl N3 O3 S","C[CH](N[S](C)(=O)=O)c1cncc(c1)N2C(=O)c3ccc(Cl)cc3C2(C)C;CC(c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C","InChI=1S/C18H20ClN3O3S/c1-11(21-26(4,24)25)12-7-14(10-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-11,21H,1-4H3/t11-/m1/s1","","2020-02-03","2020-06-19","~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide","2020-06-24"],["CUM","CU(I)-S-MO(VI)(=O)OH CLUSTER","Cu H Mo O2 S","[Cu+]S[Mo+6](=O)O;O[Mo+6](=O)S[Cu+];O[Mo+6](=O)S[Cu+]","InChI=1S/Cu.Mo.H2O.O.S/h;;1H2;;/q+1;+7;;;/p-1","","2002-11-13","2011-06-07","hydroxy(oxo)mu-sulfidemolybdenumcopper(7+)",""],["CUN","CU(I)-S-MO(IV)(=O)OH CLUSTER","Cu H Mo O2 S","[Cu+]S[Mo+4](=O)O;O[Mo+4](=O)S[Cu+];O[Mo+4](=O)S[Cu+]","InChI=1S/Cu.Mo.H2O.O.S/h;;1H2;;/q+1;+5;;;/p-1","","2002-11-14","2011-06-07","hydroxy(oxo)mu-sulfidemolybdenumcopper(5+)",""],["O4U","~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide","C28 H26 N6 O2","CNC(=O)c1ccc2n(cnc2c1)c3ccc(CNC(=O)c4cc(Cc5ccccc5)n(C)n4)cc3;CNC(=O)c1ccc2c(c1)ncn2c3ccc(cc3)CNC(=O)c4cc(n(n4)C)Cc5ccccc5","InChI=1S/C28H26N6O2/c1-29-27(35)21-10-13-26-24(15-21)31-18-34(26)22-11-8-20(9-12-22)17-30-28(36)25-16-23(33(2)32-25)14-19-6-4-3-5-7-19/h3-13,15-16,18H,14,17H2,1-2H3,(H,29,35)(H,30,36)","","2023-01-23","2024-01-26","~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide","2024-01-31"],["O4V","1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine","C17 H18 N4 O3 S","c2(c(n(c1c(cccc1)OCC)nn2)N)S(c3ccc(cc3)C)(=O)=O;CCOc1ccccc1n2nnc(c2N)[S](=O)(=O)c3ccc(C)cc3;CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N","InChI=1S/C17H18N4O3S/c1-3-24-15-7-5-4-6-14(15)21-16(18)17(19-20-21)25(22,23)13-10-8-12(2)9-11-13/h4-11H,3,18H2,1-2H3","","2019-06-07","2019-08-23","1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine","2019-08-28"],["CUO","CU2-O2 CLUSTER","Cu2 O2","O1[Cu]O[Cu]1;O1[Cu]O[Cu]1","InChI=1S/2Cu.2O","CU-O2-CU LINKAGE","2001-08-17","2020-06-17","1,3-dioxa-2$l^{2},4$l^{2}-dicupracyclobutane",""],["O4W","5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one","C23 H22 Cl N5 O3","Cn1cc(cn1)C(=O)N2CC(C2)Oc3cncc(c3)N4C(=O)c5ccc(Cl)cc5C4(C)C;CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C","InChI=1S/C23H22ClN5O3/c1-23(2)20-6-15(24)4-5-19(20)22(31)29(23)16-7-17(10-25-9-16)32-18-12-28(13-18)21(30)14-8-26-27(3)11-14/h4-11,18H,12-13H2,1-3H3","","2020-02-03","2020-06-19","5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one","2020-06-24"],["CUP","(N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II)","C16 H13 Cu N O3","O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3;c1ccc(cc1)CC2C(=O)O[Cu]3[N]2=Cc4ccccc4O3","InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/q;+2/p-2/b17-11+;/t14-;/m0./s1","","2007-02-13","2023-09-23","(6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one",""],["O4Y","(2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid","C11 H10 N2 O3","CC(C(O)=O)N2C=Nc1c(cccc1)C2=O;C[CH](N1C=Nc2ccccc2C1=O)C(O)=O;CC(C(=O)O)N1C=Nc2ccccc2C1=O","InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1","","2019-06-11","2019-09-13","(2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid","2019-09-18"],["CUQ","[3,4-bis(oxidanyl)phenyl]-phenyl-methanone","C13 H10 O3","Oc1ccc(cc1O)C(=O)c2ccccc2;c1ccc(cc1)C(=O)c2ccc(c(c2)O)O","InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H","","2017-12-05","2018-06-01","[3,4-bis(oxidanyl)phenyl]-phenyl-methanone","2018-06-06"],["O4Z","1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea","C16 H19 F N4 O3 S","N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccccc2F)cc1;c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C16H19FN4O3S/c17-15-4-2-1-3-12(15)11-19-9-10-20-16(22)21-13-5-7-14(8-6-13)25(18,23)24/h1-8,19H,9-11H2,(H2,18,23,24)(H2,20,21,22)","","2020-02-04","2020-09-18","1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea","2020-09-23"],["CUR","(1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one","C21 H20 O6","O=C(C=C(/O)C=Cc1ccc(O)c(OC)c1)C=C/c2cc(OC)c(O)cc2;COc1cc(C=CC(O)=CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O;COc1cc(ccc1O)C=CC(=CC(=O)C=Cc2ccc(c(c2)OC)O)O","InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4-,16-13-","Curcumin, enol form","2014-05-29","2021-03-13","(1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one","2014-10-08"],["CUS","(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)","C13 H15 Cu N O3","CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O;CC(C)CC1C(=O)O[Cu]2[N]1=Cc3ccccc3O2","InChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15;/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17);/q;+2/p-2/b14-8+;/t11-;/m0./s1","","2007-02-15","2023-09-23","(6~{S})-6-(2-methylpropyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one",""],["O50","2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide","C23 H20 N6 O","O=C(Nc1ccc(cn1)c1cnccn1)Cc1cc(C)c(nc1)c1ccnc(C)c1;Cc1cc(ccn1)c2ncc(CC(=O)Nc3ccc(cn3)c4cnccn4)cc2C;Cc1cc(cnc1c2ccnc(c2)C)CC(=O)Nc3ccc(cn3)c4cnccn4","InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)","","2022-04-22","2022-07-15","2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide","2022-07-20"],["O51","(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide","C15 H20 Cl F N4 O2","C(CNC(N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CCC2)=O)N;NCCNC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2;c1cc(c(cc1NC(=O)C2CCCN(C2)C(=O)NCCN)F)Cl","InChI=1S/C15H20ClFN4O2/c16-12-4-3-11(8-13(12)17)20-14(22)10-2-1-7-21(9-10)15(23)19-6-5-18/h3-4,8,10H,1-2,5-7,9,18H2,(H,19,23)(H,20,22)/t10-/m0/s1","","2019-06-11","2019-10-18","(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide","2019-10-23"],["CUT","[2,4-bis(oxidanyl)phenyl]-phenyl-methanone","C13 H10 O3","Oc1ccc(c(O)c1)C(=O)c2ccccc2;c1ccc(cc1)C(=O)c2ccc(cc2O)O","InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H","","2017-12-05","2018-06-01","[2,4-bis(oxidanyl)phenyl]-phenyl-methanone","2018-06-06"],["O53","(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one","C16 H17 N3 O","CC(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2;CC(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2","InChI=1S/C16H17N3O/c1-10(2)11-5-7-12(8-6-11)14-18-15-13(16(20)19-14)4-3-9-17-15/h3-10,14H,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1","","2015-03-06","2015-07-24","(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one","2015-07-29"],["CUU","[(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","C10 H15 N5 O9 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)C[CH]3O;c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1","","2019-05-15","2020-05-01","[(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate","2020-05-06"],["O54","1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea","C19 H20 N4 O","CCNC(=O)Nc1cc2c(cn1)c(C)ccc2c3ccnc(C)c3;CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C","InChI=1S/C19H20N4O/c1-4-20-19(24)23-18-10-16-15(14-7-8-21-13(3)9-14)6-5-12(2)17(16)11-22-18/h5-11H,4H2,1-3H3,(H2,20,22,23,24)","","2016-12-12","2017-04-21","1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea","2017-04-26"],["CUV","Fe(4)-Ni(1)-S(4) cluster, oxidized","Fe4 Ni S4","[Ni].[Fe]S[Fe]1S[Fe]S[Fe]S1;S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni]","InChI=1S/4Fe.Ni.4S","C cluster, oxidized","2017-10-03","2020-06-17","1$l^{3},3,5-trithia-2$l^{3},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-2-ylsulfanyl(nickelio)iron","2018-10-03"],["CUW","(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid","C6 H14 N2 O3","NCCC[CH](O)[CH](N)C(O)=O;C(CC(C(C(=O)O)N)O)CN","InChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1","3-hydroxy-L-lysine","2017-12-05","2024-09-27","(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid","2018-11-14"],["O55","1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea","C16 H19 Br N4 O4 S","N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(Br)cc2O)cc1;c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N","InChI=1S/C16H19BrN4O4S/c17-12-2-1-11(15(22)9-12)10-19-7-8-20-16(23)21-13-3-5-14(6-4-13)26(18,24)25/h1-6,9,19,22H,7-8,10H2,(H2,18,24,25)(H2,20,21,23)","","2020-02-05","2020-09-18","1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea","2020-09-23"],["O56","1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one","C19 H26 Cl F3 N2 O2 S2","CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F;CN(C)CCSSCCC(=O)N1CCC(CC1)(c2ccc(c(c2)C(F)(F)F)Cl)O","InChI=1S/C19H26ClF3N2O2S2/c1-24(2)10-12-29-28-11-5-17(26)25-8-6-18(27,7-9-25)14-3-4-16(20)15(13-14)19(21,22)23/h3-4,13,27H,5-12H2,1-2H3","","2022-08-30","2024-09-27","1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one","2023-04-26"],["CUX","2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal","C19 H19 Cl N4 O5","O[CH]1[CH](O)[CH](O[CH]1[CH](O)c2ccc(Cl)cc2)n3ccc4c(NCC=O)ncnc34;c1cc(ccc1C(C2C(C(C(O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl","InChI=1S/C19H19ClN4O5/c20-11-3-1-10(2-4-11)13(26)16-14(27)15(28)19(29-16)24-7-5-12-17(21-6-8-25)22-9-23-18(12)24/h1-5,7-9,13-16,19,26-28H,6H2,(H,21,22,23)/t13-,14+,15-,16-,19-/m1/s1","","2019-05-16","2024-09-27","2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal","2019-06-19"],["O57","10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","C20 H15 F N2 O","c1ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O;Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1;c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F","InChI=1S/C20H15FN2O/c21-15-10-11-17-16(12-15)20(24)23(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)22-17/h1-12,22H,13H2","","2019-06-11","2019-12-13","10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","2019-12-18"],["CUY","tetracosyl octadecanoate","C42 H84 O2","C(CCCCCCCC)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3","","2017-10-03","2017-10-27","tetracosyl octadecanoate","2017-11-01"],["CUZ","(MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION","Cu4 S","[Cu]|12|[Cu]|34|[Cu]5|[Cu]|1|3[S]245;S123[Cu]4[Cu]15[Cu]24[Cu]35","InChI=1S/4Cu.S","","1999-11-02","2011-06-04","",""],["O58","{4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid","C27 H25 Cl N6 O4","O=C(O)Cc1ccc(cc1)NC(=O)C(NC(=O)CCc2cc(Cl)ccc2n3nnnc3)Cc4ccccc4;OC(=O)Cc1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)CCc3cc(Cl)ccc3n4cnnn4)cc1;c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl","InChI=1S/C27H25ClN6O4/c28-21-9-12-24(34-17-29-32-33-34)20(16-21)8-13-25(35)31-23(14-18-4-2-1-3-5-18)27(38)30-22-10-6-19(7-11-22)15-26(36)37/h1-7,9-12,16-17,23H,8,13-15H2,(H,30,38)(H,31,35)(H,36,37)/t23-/m0/s1","","2011-07-08","2012-04-06","{4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid",""],["CV0","MESOPORPHYRIN IX CONTAINING Rh","C34 H36 N4 O4 Rh","CCC1=C(C)C2=Cc3n4[Rh][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C)c3CC)C(=C6CCC(O)=O)C)C;CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C","InChI=1S/C34H38N4O4.Rh/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;","","2019-05-17","2020-03-13","","2020-03-18"],["O59","octane-1,8-diyl disulfamate","C8 H20 N2 O6 S2","O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N;N[S](=O)(=O)OCCCCCCCCO[S](N)(=O)=O;C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N","InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)","1,8-Octanediol disulfamate","2009-07-20","2020-06-17","octane-1,8-diyl disulfamate",""],["CV1","(2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8\n,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide","C15 H21 Br N5 O13 P2","Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O;Nc1c2nc(Br)n3[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)[n+]1cnc23)[CH](O)[CH]4O;c1nc2c3c([n+]1C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(n2c(n3)Br)O5)O)O)O)O)O)O)N","InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1","8-BROMO-CYCLIC-ADP-RIBOSE","2011-09-07","2020-06-17","(2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name)",""],["O5A","trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid","C27 H25 F8 N O5 S","c1c(C(C(F)(F)F)(F)C(F)(F)F)ccc(c1)C3(CN(C(=O)C2CCC(CC2)C(O)=O)CC3)S(c4ccc(cc4)F)(=O)=O;OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C](C2)(c3ccc(cc3)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4;c1cc(ccc1C2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F","InChI=1S/C27H25F8NO5S/c28-20-9-11-21(12-10-20)42(40,41)24(13-14-36(15-24)22(37)16-1-3-17(4-2-16)23(38)39)18-5-7-19(8-6-18)25(29,26(30,31)32)27(33,34)35/h5-12,16-17H,1-4,13-15H2,(H,38,39)/t16-,17-,24-/m0/s1","","2019-06-11","2019-07-12","trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid","2019-07-17"],["O5B","trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid","C29 H27 F8 N O5 S","C2CN(C(=O)C1CCC(CC1)C(O)=O)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O;OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(ccc34)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5;c1cc(ccc1F)S(=O)(=O)C23CCN(C2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O","InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17-,23-,26-/m1/s1","","2019-08-20","2019-11-01","trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid","2019-11-06"],["CV2","(S)-(1-amino-2phenylallyl)phosphonic acid","C9 H12 N O3 P","N[CH](C(=C)c1ccccc1)[P](O)(O)=O;C=C(c1ccccc1)C(N)P(=O)(O)O","InChI=1S/C9H12NO3P/c1-7(9(10)14(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1,10H2,(H2,11,12,13)/t9-/m0/s1","","2017-12-06","2019-06-21","[(1~{S})-1-azanyl-2-phenyl-prop-2-enyl]phosphonic acid","2019-06-26"],["O5C","1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one","C18 H14 F N O2","Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O;CC(=O)c1c(C)c(n2ccccc12)C(=O)c3ccc(F)cc3;Cc1c(c2ccccn2c1C(=O)c3ccc(cc3)F)C(=O)C","InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3","","2023-08-16","2024-09-27","1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one","2023-11-08"],["CV3","(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione","C18 H13 F3 N2 O2","CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccc(cc3)C(F)(F)F;CN1C(=Cc2ccc(cc2)C(F)(F)F)C(=O)Nc3ccccc3C1=O","InChI=1S/C18H13F3N2O2/c1-23-15(10-11-6-8-12(9-7-11)18(19,20)21)16(24)22-14-5-3-2-4-13(14)17(23)25/h2-10H,1H3,(H,22,24)/b15-10-","","2019-05-20","2020-03-13","(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione","2020-03-18"],["CV4","N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide","C18 H16 F3 N5 O2 S","c1(cc(S(NC)(=O)=O)ccc1)Nc3cc(Nc2ccc(cc2)C(F)(F)F)ncn3;CN[S](=O)(=O)c1cccc(Nc2cc(Nc3ccc(cc3)C(F)(F)F)ncn2)c1;CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C18H16F3N5O2S/c1-22-29(27,28)15-4-2-3-14(9-15)26-17-10-16(23-11-24-17)25-13-7-5-12(6-8-13)18(19,20)21/h2-11,22H,1H3,(H2,23,24,25,26)","","2017-10-03","2018-03-29","N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide","2018-04-04"],["O5D","[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone","C22 H24 Cl N5 O3","c1(nnc(c1)c2cc(c(cn2)N)C)C(N4CCOCC4Cc3c(cccc3OC)Cl)=O;COc1cccc(Cl)c1C[CH]2COCCN2C(=O)c3[nH]nc(c3)c4cc(C)c(N)cn4;Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOCC3Cc4c(cccc4Cl)OC","InChI=1S/C22H24ClN5O3/c1-13-8-18(25-11-17(13)24)19-10-20(27-26-19)22(29)28-6-7-31-12-14(28)9-15-16(23)4-3-5-21(15)30-2/h3-5,8,10-11,14H,6-7,9,12,24H2,1-2H3,(H,26,27)/t14-/m1/s1","","2019-06-11","2020-03-06","[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone","2020-03-11"],["O5E","(2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide","C15 H14 N6 O","C(C(c1ccccc1)Nc2ccccc2)(=O)Nc3nnnn3;O=C(Nc1[nH]nnn1)[CH](Nc2ccccc2)c3ccccc3;c1ccc(cc1)C(C(=O)Nc2[nH]nnn2)Nc3ccccc3","InChI=1S/C15H14N6O/c22-14(17-15-18-20-21-19-15)13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,16H,(H2,17,18,19,20,21,22)/t13-/m1/s1","","2018-08-22","2019-04-12","(2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide","2019-04-17"],["CV5","(3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid","C30 H32 N4 O5","COc1ccc(CN2CCc3n(CCO)nc(C(=O)N[CH](CC(O)=O)c4ccccc4)c3C2)c5ccccc15;COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NC(CC(=O)O)c5ccccc5)C3","InChI=1S/C30H32N4O5/c1-39-27-12-11-21(22-9-5-6-10-23(22)27)18-33-14-13-26-24(19-33)29(32-34(26)15-16-35)30(38)31-25(17-28(36)37)20-7-3-2-4-8-20/h2-12,25,35H,13-19H2,1H3,(H,31,38)(H,36,37)/t25-/m0/s1","","2017-12-06","2020-04-03","(3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid","2020-04-08"],["O5F","(2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide","C34 H31 N5 O2","CC(NC(=O)c1cccc2nc(c3cncc4ccccc43)n(CCCC(=O)NC)c12)c1cc2ccccc2cc1;CNC(=O)CCCn1c(nc2cccc(C(=O)N[CH](C)c3ccc4ccccc4c3)c12)c5cncc6ccccc56;CC(c1ccc2ccccc2c1)NC(=O)c3cccc4c3n(c(n4)c5cncc6c5cccc6)CCCC(=O)NC","InChI=1S/C34H31N5O2/c1-22(24-17-16-23-9-3-4-10-25(23)19-24)37-34(41)28-13-7-14-30-32(28)39(18-8-15-31(40)35-2)33(38-30)29-21-36-20-26-11-5-6-12-27(26)29/h3-7,9-14,16-17,19-22H,8,15,18H2,1-2H3,(H,35,40)(H,37,41)/t22-/m0/s1","","2022-04-22","2023-07-21","(2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide","2023-07-26"],["CV6","Tezacaftor","C26 H27 F3 N2 O6","CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1CC(O)CO;CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)c(F)cc2n1C[CH](O)CO;CC(C)(CO)c1cc2cc(c(cc2n1CC(CO)O)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F","InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1","","2021-11-22","2022-10-21","1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl}cyclopropane-1-carboxamide","2022-01-12"],["CV7","DESISOBUYTYRYL CICLESONIDE","C28 H38 O6","O=C1C=C6C(C=C1)(C5C(C3C(C2(OC(OC2C3)C4CCCCC4)C(=O)CO)(C)CC5O)CC6)C;C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1C[CH]5O[CH](O[C]25C(=O)CO)C6CCCCC6;CC12CC(C3C(C1CC4C2(OC(O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=CC36C)O","InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1","","2014-12-09","2015-11-20","(4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one","2015-11-25"],["O5G","{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone","C22 H24 N4 O3","c3(C(N2CCOCC2Cc1ccccc1OC)=O)cc(nn3)c4cc(ccn4)C;COc1ccccc1C[CH]2COCCN2C(=O)c3[nH]nc(c3)c4cc(C)ccn4;Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOCC3Cc4ccccc4OC","InChI=1S/C22H24N4O3/c1-15-7-8-23-18(11-15)19-13-20(25-24-19)22(27)26-9-10-29-14-17(26)12-16-5-3-4-6-21(16)28-2/h3-8,11,13,17H,9-10,12,14H2,1-2H3,(H,24,25)/t17-/m1/s1","","2019-06-11","2020-03-06","{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone","2020-03-11"],["O5H","1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea","C16 H20 N4 O3 S","N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2)c1;c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N","InChI=1S/C16H20N4O3S/c17-24(22,23)15-8-4-7-14(11-15)20-16(21)19-10-9-18-12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H2,17,22,23)(H2,19,20,21)","","2020-02-05","2020-09-18","1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea","2020-09-23"],["CV8","2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone","C21 H30 N2 O5","COc1ccc(C=NOCC(=O)N2C[CH](C)O[CH](C)C2)cc1OC3CCCC3;CC1CN(CC(O1)C)C(=O)CON=Cc2ccc(c(c2)OC3CCCC3)OC","InChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+/t15-,16+","","2017-12-06","2018-05-11","2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone","2018-05-16"],["O5I","2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide","C20 H27 Cl2 N3 O2","ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3;c1cc(ccc1NC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl","InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26)","","2022-08-30","2024-09-27","2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide","2023-09-20"],["CV9","(2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one","C49 H71 N O12","CO[CH]1C[CH](O)C=CC=CC=C[CH](C)[CH](OC(=O)C=CC=CC=CC(=C[CH](C)[CH](O[CH]2O[CH](C)[CH](O)[CH](OC)[CH]2OC)C=CC=Cc3coc(n3)[CH]1C)C)[CH](C)[CH](O)C[CH](C)O;CC1C=CC=CC=CC(CC(C(c2nc(co2)C=CC=CC(C(C=C(C=CC=CC=CC(=O)OC1C(C)C(CC(C)O)O)C)C)OC3C(C(C(C(O3)C)O)OC)OC)C)OC)O","InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19-,24-17+,25-20+,26-18-,31-27+/t32-,33+,34-,35-,36+,37+,39+,40-,41-,42+,44+,45+,46-,47+,49-/m0/s1","","2019-02-19","2019-06-28","(2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one","2019-07-03"],["O5J","3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","C24 H20 N2 O4","C3(C(c1ccccc1)(c2ccccc2)NC(N3CC(c4ccc(cc4)OC)=O)=O)=O;COc1ccc(cc1)C(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4;COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4","InChI=1S/C24H20N2O4/c1-30-20-14-12-17(13-15-20)21(27)16-26-22(28)24(25-23(26)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,25,29)","","2019-06-11","2020-03-06","3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","2020-03-11"],["CVA","2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide","C33 H40 N4 O5","COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35;COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)C4C3CC=CC4)C5CCCCCC5","InChI=1S/C33H40N4O5/c1-42-29-17-16-24(20-28(29)22-12-14-23(15-13-22)32(40)35-21-30(39)34-18-19-38)31-26-10-6-7-11-27(26)33(41)37(36-31)25-8-4-2-3-5-9-25/h6-7,12-17,20,25-27,38H,2-5,8-11,18-19,21H2,1H3,(H,34,39)(H,35,40)/t26-,27+/m0/s1","","2016-06-09","2018-03-09","4-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]benzamide","2018-03-14"],["O5K","1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea","C16 H19 F N4 O3 S","N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(F)cc2)cc1;c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C16H19FN4O3S/c17-13-3-1-12(2-4-13)11-19-9-10-20-16(22)21-14-5-7-15(8-6-14)25(18,23)24/h1-8,19H,9-11H2,(H2,18,23,24)(H2,20,21,22)","","2020-02-05","2020-09-18","1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea","2020-09-23"],["CVB","4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID","C9 H9 B O4","O=C(O)C=Cc1ccc(B(O)O)cc1;OB(O)c1ccc(C=CC(O)=O)cc1;B(c1ccc(cc1)C=CC(=O)O)(O)O","InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+","","2001-11-20","2024-09-27","(2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid",""],["O5L","N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide","C22 H18 F3 N3 O3 S","NC(=O)c1ccc(cc1)C(=O)NOCc2ccc(Sc3ccc(N)cc3)c(c2)C(F)(F)F;c1cc(ccc1C(=O)N)C(=O)NOCc2ccc(c(c2)C(F)(F)F)Sc3ccc(cc3)N","InChI=1S/C22H18F3N3O3S/c23-22(24,25)18-11-13(1-10-19(18)32-17-8-6-16(26)7-9-17)12-31-28-21(30)15-4-2-14(3-5-15)20(27)29/h1-11H,12,26H2,(H2,27,29)(H,28,30)","","2023-01-24","2024-01-12","~{N}1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide","2024-01-17"],["CVC","[(1~{R},5~{R},6~{R},8~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate","C9 H14 N3 O10 P V","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH]3O[V](O)(O)O[CH]23;C1=CN(C(=O)N=C1N)C2C3C(C(O2)COP(=O)(O)O)O[V](O3)(O)O","InChI=1S/C9H12N3O8P.2H2O.V/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;;/h1-2,4,6-8H,3H2,(H2,10,11,15)(H2,16,17,18);2*1H2;/q-2;;;+4/p-2/t4-,6-,7-,8-;;;/m1.../s1","","2015-10-19","2016-02-19","[(1~{R},5~{R},6~{R},8~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate","2016-02-24"],["O5M","{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone","C21 H21 F N4 O2","c3(C(N2CCOCC2Cc1c(cccc1)F)=O)cc(nn3)c4cc(ccn4)C;Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[CH]3Cc4ccccc4F;Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOCC3Cc4ccccc4F","InChI=1S/C21H21FN4O2/c1-14-6-7-23-18(10-14)19-12-20(25-24-19)21(27)26-8-9-28-13-16(26)11-15-4-2-3-5-17(15)22/h2-7,10,12,16H,8-9,11,13H2,1H3,(H,24,25)/t16-/m1/s1","","2019-06-11","2020-03-06","{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone","2020-03-11"],["CVD","(2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL","C24 H26 N2 O4","O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C;COc1ccccc1OCCNC[CH](O)COc2cccc3[nH]c4ccccc4c23;COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O","InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1","CARVEDILOL","2012-03-12","2021-03-01","(2S)-1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol",""],["CVE","(3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid","C27 H27 N7 O7","C[CH](N1C(=O)N(C)C=C(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)C1=O)C(=O)N[CH](CO)CC(O)=O;CC(C(=O)NC(CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3","InChI=1S/C27H27N7O7/c1-15(24(38)30-18(14-35)11-23(36)37)34-26(40)21(13-33(2)27(34)41)32-25(39)16-7-9-17(10-8-16)29-22-12-28-19-5-3-4-6-20(19)31-22/h3-10,12-13,15,18,35H,11,14H2,1-2H3,(H,29,31)(H,30,38)(H,32,39)(H,36,37)/t15-,18+/m1/s1","","2017-12-07","2024-09-27","(3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid","2018-05-02"],["O5N","1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea","C16 H19 F N4 O3 S","N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2F)c1;c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F","InChI=1S/C16H19FN4O3S/c17-15-7-2-1-4-12(15)11-19-8-9-20-16(22)21-13-5-3-6-14(10-13)25(18,23)24/h1-7,10,19H,8-9,11H2,(H2,18,23,24)(H2,20,21,22)","","2020-02-05","2020-09-18","1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea","2020-09-23"],["CVF","3-[4-(2-acetamidoethyl)phenyl]benzoic acid","C17 H17 N O3","CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(O)=O;CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O","InChI=1S/C17H17NO3/c1-12(19)18-10-9-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17(20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)","","2017-07-27","2018-01-05","3-[4-(2-acetamidoethyl)phenyl]benzoic acid","2018-01-10"],["O5O","(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide","C34 H32 F3 N5 O2","FC(F)(F)c1ccc(cc1)C(CCC)NC(=O)c1cccc2nc(c3cncc4ccccc43)n(c12)C1CC(C1)C(=O)NC;CCC[CH](NC(=O)c1cccc2nc(n([CH]3C[CH](C3)C(=O)NC)c12)c4cncc5ccccc45)c6ccc(cc6)C(F)(F)F;CCCC(c1ccc(cc1)C(F)(F)F)NC(=O)c2cccc3c2n(c(n3)c4cncc5c4cccc5)C6CC(C6)C(=O)NC","InChI=1S/C34H32F3N5O2/c1-3-7-28(20-12-14-23(15-13-20)34(35,36)37)41-33(44)26-10-6-11-29-30(26)42(24-16-22(17-24)32(43)38-2)31(40-29)27-19-39-18-21-8-4-5-9-25(21)27/h4-6,8-15,18-19,22,24,28H,3,7,16-17H2,1-2H3,(H,38,43)(H,41,44)/t22-,24+,28-/m0/s1","","2022-04-22","2023-07-21","(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide","2023-07-26"],["CVG","6-methylpyridazin-3-ol","C5 H6 N2 O","c1cc(O)nnc1C;Cc1ccc(O)nn1;Cc1ccc(nn1)O","InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)","","2017-10-05","2018-10-05","6-methylpyridazin-3-ol","2018-10-10"],["O5P","[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone","C21 H22 N4 O2","c4(cc(c3cc(C(N2CCOCC2Cc1ccccc1)=O)nn3)ncc4)C;Cc1ccnc(c1)c2[nH]nc(c2)C(=O)N3CCOC[CH]3Cc4ccccc4;Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOCC3Cc4ccccc4","InChI=1S/C21H22N4O2/c1-15-7-8-22-18(11-15)19-13-20(24-23-19)21(26)25-9-10-27-14-17(25)12-16-5-3-2-4-6-16/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,23,24)/t17-/m1/s1","","2019-06-11","2020-03-06","[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone","2020-03-11"],["CVI","CRYSTAL VIOLET","C25 H30 N3","C(=C1/C=CC(=[N+](/C)C)C=C1)(c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3;CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)=C3C=CC(C=C3)=[N+](C)C;CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C","InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1","","2001-09-12","2011-06-04","N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium",""],["O5R","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol","C26 H48 O14","CCCCCCCCO[CH]1O[CH](C)[CH](O)[CH](O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;CCCCCCCCOC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)O)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C26H48O14/c1-4-5-6-7-8-9-10-35-26-23(40-25-21(34)19(32)17(30)14(11-27)38-25)22(16(29)13(3)37-26)39-24-20(33)18(31)15(28)12(2)36-24/h12-34H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18+,19+,20+,21-,22-,23+,24-,25-,26-/m1/s1","","2023-08-21","2024-08-16","(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol","2024-08-21"],["O5S","2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide","C31 H35 Cl N4 O4","CCC(N6CC(NC(=O)Cn1c5c(c(c1C2CC2)C(N4CCc3c(OC)cccc3C4)=O)cc(Cl)cc5C)C6)=O;CCC(=O)N1CC(C1)NC(=O)Cn2c(C3CC3)c(C(=O)N4CCc5c(C4)cccc5OC)c6cc(Cl)cc(C)c26;CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C","InChI=1S/C31H35ClN4O4/c1-4-27(38)35-15-22(16-35)33-26(37)17-36-29-18(2)12-21(32)13-24(29)28(30(36)19-8-9-19)31(39)34-11-10-23-20(14-34)6-5-7-25(23)40-3/h5-7,12-13,19,22H,4,8-11,14-17H2,1-3H3,(H,33,37)","","2019-06-12","2024-09-27","2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide","2019-08-28"],["CVJ","(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide","C20 H23 N3 O2","c1cc(ccc1NC(C3C(c2cccnc2)C3)=O)C(NC(CC)=O)C;CCC(=O)N[CH](C)c1ccc(NC(=O)[CH]2C[CH]2c3cccnc3)cc1;CCC(=O)NC(C)c1ccc(cc1)NC(=O)C2CC2c3cccnc3","InChI=1S/C20H23N3O2/c1-3-19(24)22-13(2)14-6-8-16(9-7-14)23-20(25)18-11-17(18)15-5-4-10-21-12-15/h4-10,12-13,17-18H,3,11H2,1-2H3,(H,22,24)(H,23,25)/t13-,17+,18-/m0/s1","","2017-10-04","2018-09-28","(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide","2018-10-03"],["CVK","4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline","C24 H26 N2 O3","COc1cc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OCCOc34;CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4","InChI=1S/C24H26N2O3/c1-26(2)16-17-6-4-7-19(14-17)25-21-11-10-18(15-23(21)27-3)20-8-5-9-22-24(20)29-13-12-28-22/h4-11,14-15,25H,12-13,16H2,1-3H3","","2017-12-08","2018-08-03","4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline","2018-08-08"],["O5T","1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea","C16 H19 Br N4 O4 S","N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccc(Br)cc2O)c1;c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br","InChI=1S/C16H19BrN4O4S/c17-12-5-4-11(15(22)8-12)10-19-6-7-20-16(23)21-13-2-1-3-14(9-13)26(18,24)25/h1-5,8-9,19,22H,6-7,10H2,(H2,18,24,25)(H2,20,21,23)","","2020-02-05","2020-09-18","1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea","2020-09-23"],["J9R","4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide","C20 H20 F3 N5 O2","Cn1cc(cn1)c2cc(nc3cc(CN4CCO[CH](C4)C(F)(F)F)ccc23)C(N)=O;Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCOC(C4)C(F)(F)F)C(=O)N","InChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t18-/m0/s1","","2021-04-30","2021-06-18","4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide","2021-06-23"],["CVL","5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one","C26 H32 N6 O4","COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(C)C)C(=O)C4(C)C;CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C","InChI=1S/C26H32N6O4/c1-17(2)32-25(33)26(3,4)23(29-32)19-10-13-21(34-5)22(16-19)36-15-7-6-14-35-20-11-8-18(9-12-20)24-27-30-31-28-24/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,27,28,30,31)","","2016-06-13","2018-03-09","5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one","2018-03-14"],["J9S","N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine","C25 H23 N3 O7 S2","N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC(=O)O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O;COc1ccccc1[CH](N[S](=O)(=O)c2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4;COc1ccccc1C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4","InChI=1S/C25H23N3O7S2/c1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t24-/m0/s1","","2018-08-27","2018-10-12","N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine","2018-10-17"],["CVM","CYMAL-4","C22 H40 O11","O(CCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1CCC(CC1)CCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O","InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1","4-CYCLOHEXYLBUTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE","2009-05-11","2021-03-01","4-cyclohexylbutyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["J9T","methyl 2-azanylpyridine-4-carboxylate","C7 H8 N2 O2","COC(=O)c1ccnc(N)c1;COC(=O)c1ccnc(c1)N","InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)","","2019-02-13","2020-02-21","methyl 2-azanylpyridine-4-carboxylate","2020-02-26"],["CVN","4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one","C15 H8 F6 N2 O2","FC(F)(F)c1cc(Nc2cccc3ONC(=O)c23)cc(c1)C(F)(F)F;c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F","InChI=1S/C15H8F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-10-2-1-3-11-12(10)13(24)23-25-11/h1-6,22H,(H,23,24)","","2017-12-08","2018-03-29","4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one","2018-04-04"],["J9U","(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide","C21 H21 F2 N5 O","C[CH]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O)Cc4ccnn4C;CC1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C","InChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1","","2021-04-30","2021-06-18","(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide","2021-06-23"],["CVO","piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate","C13 H24 F N3 O2","NCC1(F)CCN(CC1)C(=O)OCC2CCNCC2;C1CNCCC1COC(=O)N2CCC(CC2)(CN)F","InChI=1S/C13H24FN3O2/c14-13(10-15)3-7-17(8-4-13)12(18)19-9-11-1-5-16-6-2-11/h11,16H,1-10,15H2","","2019-05-20","2020-05-15","piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate","2020-05-20"],["CVP","4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide","C26 H30 N6 O2","c1(ccc(cc1)CNC(c3ccc(CN2CCNCC2)cc3)=O)NC(=O)NCc4cnccc4;O=C(NCc1cccnc1)Nc2ccc(CNC(=O)c3ccc(CN4CCNCC4)cc3)cc2;c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4","InChI=1S/C26H30N6O2/c33-25(23-7-3-21(4-8-23)19-32-14-12-27-13-15-32)29-17-20-5-9-24(10-6-20)31-26(34)30-18-22-2-1-11-28-16-22/h1-11,16,27H,12-15,17-19H2,(H,29,33)(H2,30,31,34)","","2017-10-04","2018-09-28","4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide","2018-10-03"],["J9V","N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine","C25 H23 N3 O7 S2","N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC(O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O;COc1ccccc1[CH](N[S](=O)(=O)c2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4;COc1ccccc1C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4","InChI=1S/C25H23N3O7S2/c1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t24-/m1/s1","","2018-08-27","2018-10-12","N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine","2018-10-17"],["CVQ","2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol","C27 H24 F2 N6 O4","COc1cnccc1Nc2nc(ncc2OC)c3nn(Cc4c(F)cc(OCCO)cc4F)c5ccccc35;COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC","InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33)","","2017-12-08","2018-12-14","2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol","2018-12-19"],["J9W","1,3-benzoxazine-2,4-dione","C8 H5 N O3","O=C1NC(=O)c2ccccc2O1;c1ccc2c(c1)C(=O)NC(=O)O2","InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)","","2019-02-13","2020-02-21","1,3-benzoxazine-2,4-dione","2020-02-26"],["J9X","2-(ethylamino)-2-oxidanylidene-ethanoic acid","C4 H7 N O3","CCNC(=O)C(O)=O;CCNC(=O)C(=O)O","InChI=1S/C4H7NO3/c1-2-5-3(6)4(7)8/h2H2,1H3,(H,5,6)(H,7,8)","","2021-05-01","2022-02-25","2-(ethylamino)-2-oxidanylidene-ethanoic acid","2022-03-02"],["CVR","Cyclic adenosine 5'-diphosphocarbocyclic ribose","C16 H23 N5 O12 P2","O=P4(OCC5C(O)C(O)C(N1C(=[N@H])c2ncn(c2N=C1)C3OC(C(O)C3O)COP(=O)(O)O4)C5)O;O[CH]1[CH](O)[CH]2C[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=N)[N]2C=Nc45;c1nc2c3n1C4C(C(C(O4)COP(=O)(OP(=O)(OCC5CC(C(C5O)O)N(C2=N)C=N3)O)O)O)O","InChI=1S/C16H23N5O12P2/c17-14-9-15-19-5-20(14)7-1-6(10(22)11(7)23)2-30-34(26,27)33-35(28,29)31-3-8-12(24)13(25)16(32-8)21(15)4-18-9/h4-8,10-13,16-17,22-25H,1-3H2,(H,26,27)(H,28,29)/b17-14+/t6-,7-,8-,10-,11+,12-,13-,16-/m1/s1","","2011-10-14","2012-10-05","(2R,3S,4R,5R,8S,10S,13R,14S,15R,16R,24E)-24-imino-7,9,11,25-tetraoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide (non-preferred name)","2012-10-05"],["J9Y","(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate","C7 H16 N4 O3","NC(CCC/[N+](O)=C(/N)NC)C([O-])=O;CNC(N)=[N+](O)CCC[CH](N)C([O-])=O;CNC(=[N+](CCCC(C(=O)[O-])N)O)N","InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1","","2018-08-27","2019-02-01","(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate","2019-02-06"],["CVT","3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide","C21 H20 N2 O4","COc1cc(cc(OC)c1OC)C(=O)NN=Cc2cccc3ccccc23;COc1cc(cc(c1OC)OC)C(=O)NN=Cc2cccc3c2cccc3","InChI=1S/C21H20N2O4/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)23-22-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-13H,1-3H3,(H,23,24)/b22-13+","","2017-12-08","2018-12-14","3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide","2018-12-19"],["CVU","L-Fuculose open form","C6 H12 O5","O=C(C(O)C(O)C(O)C)CO;C[CH](O)[CH](O)[CH](O)C(=O)CO;CC(C(C(C(=O)CO)O)O)O","InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1","6-deoxy-L-tagatose","2013-08-16","2020-06-17","6-deoxy-L-tagatose","2013-12-11"],["J9Z","(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate","C18 H16 N O5 P S","[O-]P([O-])(=O)OCC(NC(=O)c2sc1ccccc1c2)Cc3ccccc3;[O-][P]([O-])(=O)OC[CH](Cc1ccccc1)NC(=O)c2sc3ccccc3c2;c1ccc(cc1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2","InChI=1S/C18H18NO5PS/c20-18(17-11-14-8-4-5-9-16(14)26-17)19-15(12-24-25(21,22)23)10-13-6-2-1-3-7-13/h1-9,11,15H,10,12H2,(H,19,20)(H2,21,22,23)/p-2/t15-/m1/s1","","2009-08-07","2011-06-04","(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate",""],["CVV","N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide","C27 H27 I N2 O3","N(C4C=CC1C2Cc6ccc(c5c6C1(CCN2CC3CC3)C4O5)O)C(c7cc(ccc7)I)=O;Oc1ccc2C[CH]3[CH]4C=C[CH](NC(=O)c5cccc(I)c5)[CH]6Oc1c2[C]46CCN3CC7CC7;c1cc(cc(c1)I)C(=O)NC2C=CC3C4Cc5ccc(c6c5C3(C2O6)CCN4CC7CC7)O","InChI=1S/C27H27IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6-9,12,15,19-21,25,31H,4-5,10-11,13-14H2,(H,29,32)/t19-,20+,21+,25-,27-/m0/s1","","2017-10-04","2018-01-12","N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide","2018-01-17"],["JA0","9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine","C13 H11 Cl F N5","CNc1nc(F)nc2n(Cc3cccc(Cl)c3)cnc12;CNc1c2c(nc(n1)F)n(cn2)Cc3cccc(c3)Cl","InChI=1S/C13H11ClFN5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)","","2023-08-07","2023-12-01","9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine","2023-12-06"],["JA1","5-HEXYL-2-(4-NITROPHENOXY)PHENOL","C18 H21 N O4","[O-][N+](=O)c2ccc(Oc1ccc(cc1O)CCCCCC)cc2;CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1;CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-]","InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3","","2014-10-27","2015-02-27","5-hexyl-2-(4-nitrophenoxy)phenol","2015-03-04"],["CVW","2-(5-methyl-1~{H}-indol-3-yl)ethanamine","C11 H14 N2","Cc1ccc2[nH]cc(CCN)c2c1;Cc1ccc2c(c1)c(c[nH]2)CCN","InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3","","2017-12-08","2018-12-14","2-(5-methyl-1~{H}-indol-3-yl)ethanamine","2018-12-19"],["CVX","O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP","C5 H13 O3 P","O=P(O)(OCCCC)C;CCCCO[P](C)(O)=O;CCCCOP(=O)(C)O","InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7)","","2010-09-02","2024-09-27","butyl hydrogen (R)-methylphosphonate",""],["JA2","5-(1H-benzimidazol-2-yl)pentan-1-amine","C12 H17 N3","n2c1ccccc1nc2CCCCCN;NCCCCCc1[nH]c2ccccc2n1;c1ccc2c(c1)[nH]c(n2)CCCCCN","InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)","","2014-04-02","2014-10-03","5-(1H-benzimidazol-2-yl)pentan-1-amine","2014-10-08"],["JA3","5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol","C13 H11 F2 N O2","Fc2ncccc2Oc1cc(F)c(cc1O)CC;CCc1cc(O)c(Oc2cccnc2F)cc1F;CCc1cc(c(cc1F)Oc2cccnc2F)O","InChI=1S/C13H11F2NO2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3","","2014-10-26","2015-02-27","5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol","2015-03-04"],["CVY","4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide","C27 H18 F7 N7 O2","Cn1cc(cn1)c2n[nH]c3ccc(NC(=O)c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4C(F)(F)F)cc23;Cn1cc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)c4ccc(cc4C(F)(F)F)NC(=O)Nc5cc(ccc5F)C(F)(F)F","InChI=1S/C27H18F7N7O2/c1-41-12-13(11-35-41)23-18-9-15(4-7-21(18)39-40-23)36-24(42)17-5-3-16(10-19(17)27(32,33)34)37-25(43)38-22-8-14(26(29,30)31)2-6-20(22)28/h2-12H,1H3,(H,36,42)(H,39,40)(H2,37,38,43)","","2022-04-06","2023-03-24","4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide","2023-03-29"],["JA4","N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine","C25 H22 Cl N3 O7 S2","C2=Cc1cc(c(Cl)cc1NC2=O)S(NC(c3ccccc3OC)C(=O)N(CC(=O)O)Cc4cccs4)(=O)=O;COc1ccccc1[CH](N[S](=O)(=O)c2cc3C=CC(=O)Nc3cc2Cl)C(=O)N(CC(O)=O)Cc4sccc4;COc1ccccc1C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4","InChI=1S/C25H22ClN3O7S2/c1-36-20-7-3-2-6-17(20)24(25(33)29(14-23(31)32)13-16-5-4-10-37-16)28-38(34,35)21-11-15-8-9-22(30)27-19(15)12-18(21)26/h2-12,24,28H,13-14H2,1H3,(H,27,30)(H,31,32)/t24-/m1/s1","","2018-08-27","2018-10-12","N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine","2018-10-17"],["CVZ","3-[(~{E})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione","C33 H44 N6 O6","CCN(CCCCCN1C(=CC(=O)N(C=CCCCN(CC)Cc2ccccc2[N+]([O-])=O)C1=O)C)Cc3ccccc3[N+]([O-])=O;CCN(CCCCCN1C(=CC(=O)N(C1=O)C=CCCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]","InChI=1S/C33H44N6O6/c1-4-34(25-28-16-8-10-18-30(28)38(42)43)20-12-6-14-22-36-27(3)24-32(40)37(33(36)41)23-15-7-13-21-35(5-2)26-29-17-9-11-19-31(29)39(44)45/h8-11,15-19,23-24H,4-7,12-14,20-22,25-26H2,1-3H3/b23-15+","","2017-12-09","2018-12-07","3-[(~{E})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione","2018-12-12"],["JA5","methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate","C9 H9 N O3 S","COC(=O)c1[nH]c2sc(CO)cc2c1;COC(=O)c1cc2cc(sc2[nH]1)CO","InChI=1S/C9H9NO3S/c1-13-9(12)7-3-5-2-6(4-11)14-8(5)10-7/h2-3,10-11H,4H2,1H3","","2019-02-13","2020-02-21","methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate","2020-02-26"],["CW0","piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate","C22 H32 F N3 O2","FC1(CCN(CC1)C(=O)OCC2CCNCC2)CN[CH]3C[CH]3c4ccccc4;c1ccc(cc1)C2CC2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F","InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1","","2019-05-20","2020-05-15","piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate","2020-05-20"],["JA6","(2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide","C18 H23 F N2 O2","CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)c3ccc(F)cc3;CC(=O)N(C1CC1)C(c2ccc(cc2)F)C(=O)NC3CCCC3","InChI=1S/C18H23FN2O2/c1-12(22)21(16-10-11-16)17(13-6-8-14(19)9-7-13)18(23)20-15-4-2-3-5-15/h6-9,15-17H,2-5,10-11H2,1H3,(H,20,23)/t17-/m1/s1","","2021-05-07","2024-06-07","(2~{R})-~{N}-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide","2024-06-12"],["CW1","Cotylenin A","C34 H52 O12","O=COCCC6(OC54OC6OC5C(O)C(OC3C1=C(C(C)C)CCC1(C=C2C(O)(COC)CCC2C(C)C3O)C)OC4COC)C;COC[CH]1O[CH](O[CH]2[CH](O)[CH](C)[CH]3CC[C](O)(COC)C3=C[C]4(C)CCC(=C24)C(C)C)[CH](O)[CH]5O[CH]6O[C]15O[C]6(C)CCOC=O;CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O","InChI=1S/C34H52O12/c1-18(2)20-8-10-31(4)14-22-21(9-11-33(22,38)16-40-7)19(3)25(36)27(24(20)31)43-29-26(37)28-34(23(42-29)15-39-6)45-30(44-28)32(5,46-34)12-13-41-17-35/h14,17-19,21,23,25-30,36-38H,8-13,15-16H2,1-7H3/b22-14+/t19-,21+,23+,25-,26-,27-,28-,29-,30+,31-,32+,33+,34-/m1/s1","","2008-08-26","2011-06-04","2-[(1S,2S,4S,5R,6R,8S,9S)-4-{[(4R,5R,6R,6aS,9R,9aE,10aR)-5,9-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl]oxy}-5-hydroxy-2-(methoxymethyl)-9-methyl-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-9-yl]ethyl formate (non-preferred name)",""],["CW2","N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)","C12 H20 Cl4 N2 O2","C(Cl)(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl;ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl;C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl","InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)","","2017-09-14","2024-09-27","N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)","2018-01-10"],["JA7","5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid","C29 H29 N3 O9 S2","c3(S(NC(c1c(cccc1)OCCCCC(O)=O)C(N(Cc2cccs2)CC(O)=O)=O)(=O)=O)ccc4NC(=O)C=Cc4c3;OC(=O)CCCCOc1ccccc1[CH](N[S](=O)(=O)c2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4;c1ccc(c(c1)C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O","InChI=1S/C29H29N3O9S2/c33-25-13-10-19-16-21(11-12-23(19)30-25)43(39,40)31-28(29(38)32(18-27(36)37)17-20-6-5-15-42-20)22-7-1-2-8-24(22)41-14-4-3-9-26(34)35/h1-2,5-8,10-13,15-16,28,31H,3-4,9,14,17-18H2,(H,30,33)(H,34,35)(H,36,37)/t28-/m1/s1","","2018-08-27","2018-10-12","5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid","2018-10-17"],["JA8","5-bromanyl-1,3-benzothiazol-2-amine","C7 H5 Br N2 S","Nc1sc2ccc(Br)cc2n1;c1cc2c(cc1Br)nc(s2)N","InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)","","2019-02-13","2020-02-21","5-bromanyl-1,3-benzothiazol-2-amine","2020-02-26"],["CW3","3-nitro-4-(propylamino)benzoic acid","C10 H12 N2 O4","CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O;CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O","InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)","68740-31-8","2023-05-23","2024-11-15","3-nitro-4-(propylamino)benzoic acid","2024-11-20"],["JA9","6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole","C14 H9 Cl3 N2 O S","CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1;CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl","InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)","Triclabendazole","2021-05-07","2021-11-19","6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole","2021-11-24"],["CW4","(4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one","C16 H16 N2 O2","c1cc2C(C(C)(C)OC(c2cc1)=O)n3cncc3[C@H]=C;CC1(C)OC(=O)c2ccccc2[CH]1n3cncc3C=C;CC1(C(c2ccccc2C(=O)O1)n3cncc3C=C)C","InChI=1S/C16H16N2O2/c1-4-11-9-17-10-18(11)14-12-7-5-6-8-13(12)15(19)20-16(14,2)3/h4-10,14H,1H2,2-3H3/t14-/m1/s1","","2017-10-05","2017-12-22","(4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one","2017-12-27"],["JAA","{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid","C12 H18 O3","O=C1C(C(CC(=O)O)CC1)CC=C/CC;CCC=CC[CH]1[CH](CCC1=O)CC(O)=O;CCC=CCC1C(CCC1=O)CC(=O)O","InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1","","2015-09-28","2016-10-28","{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid","2016-11-02"],["CW5","1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea","C20 H21 Cl2 N7 O3","CO[CH](C)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(c(Cl)c3)C(=O)N4CCCC4;CC(c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC","InChI=1S/C20H21Cl2N7O3/c1-11(32-2)18-14(10-23-16-8-15(22)27-29(16)18)26-20(31)25-12-7-13(21)17(24-9-12)19(30)28-5-3-4-6-28/h7-11H,3-6H2,1-2H3,(H2,25,26,31)/t11-/m0/s1","","2017-12-09","2018-12-28","1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea","2019-01-02"],["CW6","2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol","C15 H15 F O2","CC(C)(c1ccc(O)cc1)c2ccc(O)c(F)c2;CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O","InChI=1S/C15H15FO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3","","2019-05-22","2020-05-08","2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol","2020-05-13"],["JAB","1,2-oxazole-5-carbothioamide","C4 H4 N2 O S","NC(=S)c1oncc1;c1cnoc1C(=S)N","InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)","","2019-02-13","2020-02-21","1,2-oxazole-5-carbothioamide","2020-02-26"],["JAC","1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE","C18 H18 F3 N3 O2","O=C1N(CCC1)Cc4ccc(n2nc(c3c2CCOC3)C(F)(F)F)cc4;FC(F)(F)c1nn(c2CCOCc12)c3ccc(CN4CCCC4=O)cc3;c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4","InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2","","2010-11-10","2011-06-04","1-{4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]benzyl}pyrrolidin-2-one",""],["CW7","Cotylenin A","C33 H50 O11","O4C(C5OC6C(O)C(OC2C1=C(C(C)C)CCC1(C)CC3C(O)(COC)CCC3C(=C)C2O)OC(C46O5)COC)(C7OC7)C;COC[CH]1O[CH](O[CH]2[CH](O)C(=C)[CH]3CC[C](O)(COC)[CH]3C[C]4(C)CCC(=C24)C(C)C)[CH](O)[CH]5O[CH]6O[C]15O[C]6(C)[CH]7CO7;CC(C)C1=C2C(C(C(=C)C3CCC(C3CC2(CC1)C)(COC)O)O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)C7CO7)O","InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h16,19-22,24-29,34-36H,3,8-15H2,1-2,4-7H3/t19-,20-,21-,22+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+/m0/s1","(1R,3aR,5R,6R,9aR,10aS)-6-({(1S,2R,4S,5S,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-9a-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-1,5-diol","2011-07-07","2021-03-13","(1R,3aR,5R,6R,9aR,10aS)-6-({(1S,2R,4S,5S,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-9a-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name)",""],["JAD","2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile","C15 H16 Cl N3 O2","N#Cc3ccc(C2=NN1CCC(O)C1C2OC)c(c3Cl)C;CO[CH]1[CH]2[CH](O)CCN2N=C1c3ccc(C#N)c(Cl)c3C;Cc1c(ccc(c1Cl)C#N)C2=NN3CCC(C3C2OC)O","InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1","","2014-07-04","2015-06-12","2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile","2015-06-17"],["CW8","(2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile","C13 H20 F N3 O","FC1CC(C#N)N(C1)C(=O)C(N)C1CCCCC1;N[CH](C1CCCCC1)C(=O)N2C[CH](F)C[CH]2C#N;C1CCC(CC1)C(C(=O)N2CC(CC2C#N)F)N","InChI=1S/C13H20FN3O/c14-10-6-11(7-15)17(8-10)13(18)12(16)9-4-2-1-3-5-9/h9-12H,1-6,8,16H2/t10-,11-,12-/m0/s1","","2021-11-23","2024-09-27","(2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile","2022-10-05"],["JAE","1,3-benzothiazol-6-amine","C7 H6 N2 S","Nc1ccc2ncsc2c1;c1cc2c(cc1N)scn2","InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2","","2019-02-13","2020-02-21","1,3-benzothiazol-6-amine","2020-02-26"],["CW9","8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine","C21 H28 Br N5 O4","COCCN(CCOC)c1nc(C)nc2n1nc(C)c2c3c(OC)cc(Br)cc3OC;Cc1c(c2nc(nc(n2n1)N(CCOC)CCOC)C)c3c(cc(cc3OC)Br)OC","InChI=1S/C21H28BrN5O4/c1-13-18(19-16(30-5)11-15(22)12-17(19)31-6)20-23-14(2)24-21(27(20)25-13)26(7-9-28-3)8-10-29-4/h11-12H,7-10H2,1-6H3","","2019-05-22","2023-09-08","8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine","2023-09-13"],["JAF","N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide","C15 H17 N O4 S","O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccc(OC)cc2;COc1ccc(cc1)[S](=O)(=O)Nc2c(C)cc(O)cc2C;Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O","InChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3","","2013-03-21","2013-10-18","N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide","2013-10-23"],["CWA","(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one","C15 H14 F2 N2 O2","c1cc2C(C(C)(C)OC(c2cc1)=O)n3cncc3C(F)F;CC1(C)OC(=O)c2ccccc2[CH]1n3cncc3C(F)F;CC1(C(c2ccccc2C(=O)O1)n3cncc3C(F)F)C","InChI=1S/C15H14F2N2O2/c1-15(2)12(19-8-18-7-11(19)13(16)17)9-5-3-4-6-10(9)14(20)21-15/h3-8,12-13H,1-2H3/t12-/m1/s1","","2017-10-05","2017-12-22","(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one","2017-12-27"],["JAG","2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one","C23 H20 F3 N O3","CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3;CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F","InChI=1S/C23H20F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h6-13,21H,2-5H2,1H3/t21-/m1/s1","","2019-01-30","2020-07-17","2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one","2020-07-22"],["CWB","1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide","C18 H24 N4 O","O=C(c2nn(c1ccccc12)C)NC4CC3N(C)C(CCC3)C4;CN1[CH]2CCC[CH]1CC(C2)NC(=O)c3nn(C)c4ccccc34;Cn1c2ccccc2c(n1)C(=O)NC3CC4CCCC(C3)N4C","InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-","GRANISETRON","2012-10-09","2021-03-01","1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide","2012-12-21"],["CWC","4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide","C19 H22 N4 O","O=C(Nc3cc(c1cccc2c1ccn2)cnc3)CCCN(C)C;CN(C)CCCC(=O)Nc1cncc(c1)c2cccc3[nH]ccc23;CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3","InChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24)","","2015-02-17","2015-05-29","4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide","2015-06-03"],["JAH","(6-phenylpyridin-3-yl)methanamine","C12 H12 N2","NCc1ccc(nc1)c2ccccc2;c1ccc(cc1)c2ccc(cn2)CN","InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2","","2019-02-13","2020-02-21","(6-phenylpyridin-3-yl)methanamine","2020-02-26"],["JAI","N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine","C18 H29 N O4","O=C(NC(C(=O)O)C(C)CC)CC1CCC(=O)C1CC=C/CC;CCC=CC[CH]1[CH](CCC1=O)CC(=O)N[CH]([CH](C)CC)C(O)=O;CCC=CCC1C(CCC1=O)CC(=O)NC(C(C)CC)C(=O)O","InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m0/s1","","2012-06-05","2012-06-15","N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine",""],["CWD","3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine","C7 H8 Cl N3 O4","O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O;N[CH](CN1C=C(Cl)C(=O)NC1=O)C(O)=O;C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Cl","InChI=1S/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1","chlorowillardiine","2011-05-04","2021-03-01","3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",""],["CWE","R-naringenin","C15 H12 O5","Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2;c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1","","2017-12-11","2018-06-01","(2~{R})-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","2018-06-06"],["JAJ","4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid","C28 H27 N3 O9 S2","N(C(c1c(cccc1)OCCCC(O)=O)C(N(Cc2cccs2)CC(O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O;OC(=O)CCCOc1ccccc1[CH](N[S](=O)(=O)c2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4;c1ccc(c(c1)C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O","InChI=1S/C28H27N3O9S2/c32-24-12-9-18-15-20(10-11-22(18)29-24)42(38,39)30-27(21-6-1-2-7-23(21)40-13-3-8-25(33)34)28(37)31(17-26(35)36)16-19-5-4-14-41-19/h1-2,4-7,9-12,14-15,27,30H,3,8,13,16-17H2,(H,29,32)(H,33,34)(H,35,36)/t27-/m1/s1","","2018-08-27","2018-10-12","4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid","2018-10-17"],["CWF","(8S)-8-azanylnonanoic acid","C9 H19 N O2","C[CH](N)CCCCCCC(O)=O;CC(CCCCCCC(=O)O)N","InChI=1S/C9H19NO2/c1-8(10)6-4-2-3-5-7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1","","2019-05-24","2024-09-27","(8~{S})-8-azanylnonanoic acid","2020-02-26"],["JAK","2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine","C14 H17 N5","n4c1nccc1c2c(nc(n2C3CCNCC3)C)c4;Cc1nc2cnc3[nH]ccc3c2n1C4CCNCC4;Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3","InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17)","","2012-04-10","2012-06-29","2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine",""],["JAL","4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol","C13 H10 Cl2 O2","Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O;c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O","InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2","Dichlorophen","2021-05-07","2021-11-19","4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol","2021-11-24"],["CWG","3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine","C13 H13 Cl N2 O","c1(c(C)c(c(OC)nn1)C)c2ccc(cc2)Cl;COc1nnc(c(C)c1C)c2ccc(Cl)cc2;Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C","InChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3","","2017-10-05","2017-12-22","3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine","2017-12-27"],["JAN","6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE","C27 H22 Cl2 N4 O","Clc1cccc(c1)C=3c2cc(ccc2N(C(=O)C=3)C)C(N)(c4cncn4C)c5ccc(Cl)cc5;Cn1cncc1[C](N)(c2ccc(Cl)cc2)c3ccc4N(C)C(=O)C=C(c5cccc(Cl)c5)c4c3;Cn1cncc1C(c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N","InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1","R115777; TIPIFARNIB","2004-02-18","2020-06-17","6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one",""],["CWH","[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth\nyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate","C27 H49 N O8","C[CH](CCNC(=O)[CH](C)O)CC[CH](O)CC[CH](C)CC[CH](C[CH]1O[CH](O)[CH](C)C(=O)[CH]1C)OC(C)=O;CC1C(OC(C(C1=O)C)O)CC(CCC(C)CCC(CCC(C)CCNC(=O)C(C)O)O)OC(=O)C","InChI=1S/C27H49NO8/c1-16(7-10-22(31)11-8-17(2)13-14-28-26(33)20(5)29)9-12-23(35-21(6)30)15-24-18(3)25(32)19(4)27(34)36-24/h16-20,22-24,27,29,31,34H,7-15H2,1-6H3,(H,28,33)/t16-,17+,18-,19+,20+,22+,23+,24-,27+/m1/s1","LC-KA05","2017-12-11","2020-06-17","[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimethyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate","2018-09-19"],["JAO","(2S)-2-methylheptadecan-1-ol","C18 H38 O","OCC(CCCCCCCCCCCCCCC)C;CCCCCCCCCCCCCCC[CH](C)CO;CCCCCCCCCCCCCCCC(C)CO","InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1","","2013-04-10","2024-09-27","(2S)-2-methylheptadecan-1-ol","2013-04-24"],["CWI","[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate","C10 H25 O18 P3","O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O)OP(=O)(O)O","InChI=1S/C10H25O18P3/c11-5(1-25-29(17,18)19)9(15)7(13)3-27-31(23,24)28-4-8(14)10(16)6(12)2-26-30(20,21)22/h5-16H,1-4H2,(H,23,24)(H2,17,18,19)(H2,20,21,22)/t5-,6+,7+,8-,9-,10+","","2021-12-14","2023-05-05","[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate","2023-05-10"],["JAP","(4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine","C16 H21 F N8","Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(F)CC1;Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N4CC[CH](F)C4;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4CCC(C4)F)C","InChI=1S/C16H21FN8/c1-10-8-18-11(2)15-19-13(21-25(10)15)4-5-14-20-16(22-23(14)3)24-7-6-12(17)9-24/h8,12H,4-7,9H2,1-3H3","","2022-02-01","2022-10-07","(4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["CWJ","5-methoxy-2-methyl-1H-indole","C10 H11 N O","c12ccc(cc1cc(C)n2)OC;COc1ccc2[nH]c(C)cc2c1;Cc1cc2cc(ccc2[nH]1)OC","InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3","","2017-10-05","2017-12-22","5-methoxy-2-methyl-1H-indole","2017-12-27"],["JAQ","4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine","C27 H31 N7 S","CN1CCN(CC1)CCc2ccc(cc2)c3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3;Cc1ccc(cc1Nc2nc(cs2)c3nccc(n3)N)c4ccc(cc4)CCN5CCN(CC5)C","InChI=1S/C27H31N7S/c1-19-3-6-22(21-7-4-20(5-8-21)10-12-34-15-13-33(2)14-16-34)17-23(19)30-27-31-24(18-35-27)26-29-11-9-25(28)32-26/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,30,31)(H2,28,29,32)","","2022-04-25","2023-06-02","4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine","2023-06-07"],["CWK","3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile","C19 H18 Cl N O6","N#Cc1ccc(cc1)c3ccc(OC2OC(C(O)C(O)C2O)CO)c(Cl)c3;OC[CH]1O[CH](Oc2ccc(cc2Cl)c3ccc(cc3)C#N)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C#N)c2ccc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C19H18ClNO6/c20-13-7-12(11-3-1-10(8-21)2-4-11)5-6-14(13)26-19-18(25)17(24)16(23)15(9-22)27-19/h1-7,15-19,22-25H,9H2/t15-,16-,17+,18+,19+/m1/s1","","2014-03-10","2015-02-20","3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile","2015-02-25"],["JAR","6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C20 H25 N5 O","O=C1NC(=Nc2c1cnn2C(C)C)C4C(C)CN(Cc3ccccc3)C4;CC(C)n1ncc2C(=O)NC(=Nc12)[CH]3CN(C[CH]3C)Cc4ccccc4;CC1CN(CC1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4","InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1","","2009-09-16","2011-06-04","6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(propan-2-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",""],["CWL","(3R)-3-[(1R)-1-azanylethyl]nonanedioic acid","C11 H21 N O4","C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O;CC(C(CCCCCC(=O)O)CC(=O)O)N","InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1","","2019-05-24","2020-02-21","(3~{R})-3-[(1~{R})-1-azanylethyl]nonanedioic acid","2020-02-26"],["CWM","2-methyl-1H-benzimidazol-7-ol","C8 H8 N2 O","c1c(O)c2nc(C)nc2cc1;Cc1[nH]c2c(O)cccc2n1;Cc1[nH]c2c(n1)cccc2O","InChI=1S/C8H8N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4,11H,1H3,(H,9,10)","","2017-10-05","2017-12-22","2-methyl-1H-benzimidazol-7-ol","2017-12-27"],["JAS","JASPISAMIDE A","C44 H64 N4 O13","O=C(C(C)C(OC)CC=CN(C)CO)CCC(C)C(OC)CC4OC(=O)CC(O)CC(O)CC(=O)C(C)C(OC)c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCCC4C;CO[CH](CC=CN(C)CO)[CH](C)C(=O)CC[CH](C)[CH](C[CH]1OC(=O)C[CH](O)C[CH](O)CC(=O)[CH](C)[CH](OC)c2coc(n2)c3coc(n3)c4coc(C=CCC[CH]1C)n4)OC;CC1CCC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)C(C(C(=O)CC(CC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(CC=CN(C)CO)OC)OC)O)O)C)OC","InChI=1S/C44H64N4O13/c1-26-12-9-10-14-40-45-33(23-58-40)43-47-34(24-60-43)44-46-32(22-59-44)42(57-8)29(4)36(53)19-30(50)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-48(5)25-49/h10-11,14,17,22-24,26-31,37-39,42,49-51H,9,12-13,15-16,18-21,25H2,1-8H3/b14-10+,17-11+/t26-,27+,28+,29+,30+,31+,37-,38+,39+,42+/m1/s1","","2003-09-19","2011-06-04","(10S,11R,14S,16S,20S,21R,24E)-14,16-dihydroxy-20-{(2S,3S,7R,8R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxoundec-10-en-1-yl}-10-methoxy-11,21-dimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaene-12,18-dione",""],["JAT","4-(2-azanylethyl)benzenesulfonic acid","C8 H11 N O3 S","NCCc1ccc(cc1)[S](O)(=O)=O;c1cc(ccc1CCN)S(=O)(=O)O","InChI=1S/C8H11NO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)","","2019-02-13","2019-12-20","4-(2-azanylethyl)benzenesulfonic acid","2019-12-25"],["CWN","NtMe polyamide","C58 H71 N20 O10 S","Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncsc4C)cn3C)cn2C)cc1C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C;Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C","InChI=1S/C58H70N20O10S/c1-33-49(62-32-89-33)57(87)67-38-23-44(76(8)29-38)55(85)65-36-21-42(74(6)27-36)53(83)63-34-19-40(72(4)25-34)51(81)60-15-11-13-48(80)69-46-31-78(10)50(70-46)58(88)68-39-24-45(77(9)30-39)56(86)66-37-22-43(75(7)28-37)54(84)64-35-20-41(73(5)26-35)52(82)61-17-14-47(79)59-16-12-18-71(2)3/h19-32H,11-18H2,1-10H3,(H,59,79)(H,60,81)(H,61,82)(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,88)(H,69,80)/p+1","","2017-12-11","2017-12-15","dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(5-methyl-1,3-thiazol-4-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium","2017-12-20"],["JAU","5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine","C28 H36 Cl2 N7 O P","CN1CCN(CC1)C2CCN(CC2)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5[P](C)(C)=O)n4)cc3Cl;CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl","InChI=1S/C28H36Cl2N7OP/c1-35-14-16-36(17-15-35)21-10-12-37(13-11-21)25-9-8-20(18-22(25)29)32-28-31-19-23(30)27(34-28)33-24-6-4-5-7-26(24)39(2,3)38/h4-9,18-19,21H,10-17H2,1-3H3,(H2,31,32,33,34)","","2021-05-09","2022-04-15","5-chloranyl-~{N}2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine","2022-04-20"],["CWO"," Co(II)-substituted Wells-Dawson","Co H2 O61 P2 W17","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[Co]78O[W]9%10O[W]%11%12O[W](O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16%17%18O[PH]%19%20O[W]%21(O%11)(O%13)O[W]%22%23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)(O9)O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%22)(O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O%14)O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6;[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/Co.2HO4P.17H2O.36O.17W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;2*5H;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+1/p-17","","2018-10-19","2019-10-25","","2019-10-30"],["JAV","4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide","C20 H17 F N2 O4 S","c1(cc(ccc1)O)S(NNC(c2cc(cc(C)c2F)c3ccccc3)=O)(=O)=O;Cc1cc(cc(C(=O)NN[S](=O)(=O)c2cccc(O)c2)c1F)c3ccccc3;Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3","InChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25)","","2018-08-28","2019-12-20","4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide","2019-12-25"],["CWP","N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine","C13 H16 N6","c1(nc2c(n1)ccc(C)n2)NCc3cc(C)nn3C;Cn1nc(C)cc1CNc2[nH]c3nc(C)ccc3n2;Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C","InChI=1S/C13H16N6/c1-8-4-5-11-12(15-8)17-13(16-11)14-7-10-6-9(2)18-19(10)3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)","","2017-10-05","2017-12-22","N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine","2017-12-27"],["CWQ","2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium","C29 H37 N4 O2","C[NH+](C)CCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(O)c5n4;C[NH+](C)CCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O","InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3/p+1/t21-/m1/s1","","2017-12-12","2018-08-31","2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium","2018-09-05"],["JAW","1~{H}-indole-5-carboxamide","C9 H8 N2 O","NC(=O)c1ccc2[nH]ccc2c1;c1cc2c(cc[nH]2)cc1C(=O)N","InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)","","2019-02-13","2020-02-28","1~{H}-indole-5-carboxamide","2020-03-04"],["JAX","(E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid","C12 H11 N O3","CC(=C(O)C(O)=O)c1c[nH]c2ccccc12;CC(=C(C(=O)O)O)c1c[nH]c2c1cccc2","InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13-14H,1H3,(H,15,16)/b11-7+","","2021-05-10","2022-03-11","(~{E})-3-(1~{H}-indol-3-yl)-2-oxidanyl-but-2-enoic acid","2022-03-16"],["CWR","(4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid","C6 H8 N2 O3","O=C1C(=NCN1CC(=O)O)C;CC1=NCN(CC(O)=O)C1=O;CC1=NCN(C1=O)CC(=O)O","InChI=1S/C6H8N2O3/c1-4-6(11)8(3-7-4)2-5(9)10/h2-3H2,1H3,(H,9,10)","(ALA-SER-GLY) CHROMOPHORE","2006-02-24","2024-09-27","(4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid",""],["JAY","(2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one","C35 H33 F2 N5 O2","Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[CH](Nc6ccccc6C5=O)c7ccccc7F;c1ccc(c(c1)C2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5C(Nc6ccccc6C5=O)c7ccccc7F)F","InChI=1S/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/t32-,33-/m1/s1","","2017-02-27","2017-09-29","(2~{R})-2-(2-fluorophenyl)-3-[2-[4-[(2~{R})-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one","2017-10-04"],["CWS","6-METHYLQUINAZOLIN-4-AMINE","C9 H9 N3","n2c1c(cc(cc1)C)c(nc2)N;Cc1ccc2ncnc(N)c2c1;Cc1ccc2c(c1)c(ncn2)N","InChI=1S/C9H9N3/c1-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)","","2012-10-05","2014-09-05","6-methylquinazolin-4-amine","2013-06-26"],["JAZ","6-PHOSPHOCYCLOPHELLITOL","C7 H15 O9 P","O[CH]1[CH](O)[CH](O)[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;C(C1C(C(C(C(C1O)O)O)O)O)OP(=O)(O)O","InChI=1S/C7H15O9P/c8-3-2(1-16-17(13,14)15)4(9)6(11)7(12)5(3)10/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4-,5+,6+,7-/m1/s1","","2015-11-24","2024-09-27","[(2R,3S,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]methyl dihydrogen phosphate","2016-02-17"],["CWT","(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one","C15 H17 N3 O3","O=C1N(C(=N/C1=Cc2ccc3OCOc3c2)NC(C)C)C;CC(C)NC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C;CC(C)NC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C","InChI=1S/C15H17N3O3/c1-9(2)16-15-17-11(14(19)18(15)3)6-10-4-5-12-13(7-10)21-8-20-12/h4-7,9H,8H2,1-3H3,(H,16,17)/b11-6-","Leucettine L4","2012-08-22","2021-03-01","(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)-3,5-dihydro-4H-imidazol-4-one","2013-01-25"],["CWU","5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid","C18 H16 O5","O=C(O)c1c(ccc2OCOc12)CC4c3ccccc3CC4O;O[CH]1Cc2ccccc2[CH]1Cc3ccc4OCOc4c3C(O)=O;c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)O","InChI=1S/C18H16O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-6,13-14,19H,7-9H2,(H,20,21)/t13-,14+/m0/s1","","2013-12-04","2019-12-12","5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl}-1,3-benzodioxole-4-carboxylic acid","2013-12-11"],["JB0","(6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione","C55 H74 O22","C[CH]1O[CH](CC[CH]1O)O[CH]2C[CH](O[CH](C)[CH]2O)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[CH](O[CH]4C)O[CH]5C[CH](O[CH](C)[CH]5O)O[CH]6[CH](O)C[CH](O[CH]6C)Oc7ccc(O)c8C(=O)C9=C([CH](O)Cc%10cc(C)cc(O)c9%10)C(=O)c78;Cc1cc2c(c(c1)O)C3=C(C(C2)O)C(=O)c4c(ccc(c4C3=O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)O)OC1CCC(C(O1)C)O)O)O","InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35-,37-,38+,39-,40-,41-,42-,43-,44-,50-,51+,54+,55+/m0/s1","","2021-05-11","2022-04-22","(6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione","2022-04-27"],["CWV","[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid","C15 H13 B N2 O2","B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3;Nc1nccc2cc(ccc12)c3cccc(c3)B(O)O;B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O","InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18)","","2017-10-05","2024-09-27","[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid","2018-03-21"],["JB1","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H46 O3","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C)C(CCCC)CCO)CCC12)CC(O)C3;CCCC[CH](CCO)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CCCCC(CCO)C(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24-,25-,26+,27+,28-/m1/s1","","2009-01-14","2011-06-04","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S)-2-(2-hydroxyethyl)-1-methylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["JB2","GDP-perosamine","C16 H26 N6 O14 P2","O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)N;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1N;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N","InChI=1S/C16H26N6O14P2/c1-4-6(17)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1","","2012-03-23","2012-03-30","(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["CWW","4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide","C17 H16 Br N7 O2","CCNC(=O)Nc1cc(n2cc(Br)cn2)c(cn1)C(=O)Nc3cccnc3;CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br","InChI=1S/C17H16BrN7O2/c1-2-20-17(27)24-15-6-14(25-10-11(18)7-22-25)13(9-21-15)16(26)23-12-4-3-5-19-8-12/h3-10H,2H2,1H3,(H,23,26)(H2,20,21,24,27)","","2017-12-12","2019-06-21","4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide","2019-06-26"],["CWX","4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide","C19 H23 N O8 S","O=S(=O)(NC)c1ccc(cc1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3;CN[S](=O)(=O)c1ccc(cc1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2;CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C19H23NO8S/c1-20-29(25,26)14-8-4-12(5-9-14)11-2-6-13(7-3-11)27-19-18(24)17(23)16(22)15(10-21)28-19/h2-9,15-24H,10H2,1H3/t15-,16-,17+,18-,19+/m1/s1","","2014-03-10","2015-02-20","4'-(alpha-D-glucopyranosyloxy)-N-methylbiphenyl-4-sulfonamide","2015-02-25"],["JB3","GDP-N-acetylperosamine","C18 H28 N6 O15 P2","O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(NC(=O)C)C(O)C3O)C)O)O)N;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1NC(C)=O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C","InChI=1S/C18H28N6O15P2/c1-5-8(21-6(2)25)11(27)13(29)17(36-5)38-41(33,34)39-40(31,32)35-3-7-10(26)12(28)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)30/h4-5,7-8,10-13,16-17,26-29H,3H2,1-2H3,(H,21,25)(H,31,32)(H,33,34)(H3,19,22,23,30)/t5-,7-,8-,10-,11+,12-,13+,16-,17-/m1/s1","","2012-03-23","2012-03-30","(2R,3S,4S,5S,6R)-5-(acetylamino)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["CWY","(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid","C16 H18 N2 O6","OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O;COc1cccc(c1)C(=O)N[CH]2C[C](N)([CH]3[CH]2[CH]3C(O)=O)C(O)=O;COc1cccc(c1)C(=O)NC2CC(C3C2C3C(=O)O)(C(=O)O)N","InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1","","2017-10-05","2018-04-20","(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid","2018-04-25"],["JB5","quinoxalin-6-amine","C8 H7 N3","Nc1ccc2nccnc2c1;c1cc2c(cc1N)nccn2","InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2","","2019-02-13","2020-02-21","quinoxalin-6-amine","2020-02-26"],["JB6","(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol","C24 H34 N10 O13 P2 S2","Nc1ncnc2n(cnc12)[CH]3O[CH](CCO[P](S)(=O)OC[CH](O)CO[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCOP(=O)(OCC(COP(=O)(OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N","InChI=1S/C24H34N10O13P2S2/c25-19-13-21(29-6-27-19)33(8-31-13)23-17(38)15(36)11(46-23)1-2-42-48(40,50)43-3-10(35)4-44-49(41,51)45-5-12-16(37)18(39)24(47-12)34-9-32-14-20(26)28-7-30-22(14)34/h6-12,15-18,23-24,35-39H,1-5H2,(H,40,50)(H,41,51)(H2,25,27,29)(H2,26,28,30)/t10-,11+,12+,15+,16+,17+,18+,23+,24+,48+,49-/m0/s1","","2015-04-30","2016-02-26","(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol","2016-03-02"],["CWZ","N-[[3-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine","C27 H28 N4 S","n1c2c(sc1)CN(CC2)Cc5cccc(c3cccc(c3)CNCCc4cccnc4)c5;C(Cc1cccnc1)NCc2cccc(c2)c3cccc(CN4CCc5ncsc5C4)c3;c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5","InChI=1S/C27H28N4S/c1-4-22(17-29-12-9-21-6-3-11-28-16-21)14-24(7-1)25-8-2-5-23(15-25)18-31-13-10-26-27(19-31)32-20-30-26/h1-8,11,14-16,20,29H,9-10,12-13,17-19H2","","2013-11-25","2014-09-05","N-{[3'-(6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-ylmethyl)biphenyl-3-yl]methyl}-2-(pyridin-3-yl)ethanamine","2014-07-08"],["JB7","N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid","C21 H28 Br N3 O8","Brc1ccc(cc1)CN(C(=O)C)CCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O;CC(=O)N(CCCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)Cc1ccc(Br)cc1;CC(=O)N(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br","InChI=1S/C21H28BrN3O8/c1-13(26)25(12-14-5-7-15(22)8-6-14)11-3-2-4-16(19(29)30)23-21(33)24-17(20(31)32)9-10-18(27)28/h5-8,16-17H,2-4,9-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,23,24,33)/t16-,17-/m0/s1","(S)-2-(3-((S)-5-(N-(4-bromobenzyl)acetamido)-1-carboxypentyl)ureido)pentanedioic acid","2013-11-21","2021-03-01","N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid","2014-06-18"],["CX0","[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","C10 H16 N6 O10 P2","Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N","InChI=1S/C10H16N6O10P2/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1","","2019-05-24","2022-03-25","[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2022-03-30"],["CX1","N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine","C33 H35 N5 O7","O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)OCc1ccccc1)Cc2ncnc2)C)Cc3ccccc3)Cc4ccc(O)cc4;CN([CH](Cc1ccccc1)C(=O)N[CH](Cc2ccc(O)cc2)C(O)=O)C(=O)[CH](Cc3c[nH]cn3)NC(=O)OCc4ccccc4;CN(C(Cc1ccccc1)C(=O)NC(Cc2ccc(cc2)O)C(=O)O)C(=O)C(Cc3c[nH]cn3)NC(=O)OCc4ccccc4","InChI=1S/C33H35N5O7/c1-38(31(41)27(18-25-19-34-21-35-25)37-33(44)45-20-24-10-6-3-7-11-24)29(17-22-8-4-2-5-9-22)30(40)36-28(32(42)43)16-23-12-14-26(39)15-13-23/h2-15,19,21,27-29,39H,16-18,20H2,1H3,(H,34,35)(H,36,40)(H,37,44)(H,42,43)/t27-,28-,29-/m0/s1","","2008-02-07","2011-06-04","N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine",""],["JB8","1~{H}-indol-6-ylboronic acid","C8 H8 B N O2","OB(O)c1ccc2cc[nH]c2c1;B(c1ccc2cc[nH]c2c1)(O)O","InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H","","2019-02-13","2020-02-21","1~{H}-indol-6-ylboronic acid","2020-02-26"],["JB9","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide","C31 H45 N7 O11","CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(C=CCN=C(N)N)c4)nn3)[CH]2O)[CH](CO)O[CH]1OCC=C;CC(=O)NC1C(C(C(OC1OCC=C)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C=CCN=C(N)N)O)O","InChI=1S/C31H45N7O11/c1-3-10-45-29-23(35-17(2)41)25(43)27(22(15-40)48-29)49-30-26(44)28(24(42)21(14-39)47-30)46-16-20-13-38(37-36-20)12-19-7-4-6-18(11-19)8-5-9-34-31(32)33/h3-8,11,13,21-30,39-40,42-44H,1,9-10,12,14-16H2,2H3,(H,35,41)(H4,32,33,34)/b8-5-/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1","JB97","2017-01-19","2021-03-01","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide","2018-02-14"],["CX2","2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine","C11 H19 N4 O6 P S","O=P(O)(OCC2OC(N1C(=O)N=C(N)C=C1)CC2O)NCCS;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)NCCS)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(NCCS)O)O","InChI=1S/C11H19N4O6PS/c12-9-1-3-15(11(17)14-9)10-5-7(16)8(21-10)6-20-22(18,19)13-2-4-23/h1,3,7-8,10,16,23H,2,4-6H2,(H2,12,14,17)(H2,13,18,19)/t7-,8+,10+/m0/s1","","2009-10-01","2024-09-27","2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine",""],["JBA","(2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide","C19 H22 N2 O6 S","O=S(=O)(C)C(C)(CC3OC(N(c1ccc(cc1)C#CC2CC2)C3)=O)C(NO)=O;C[C](C[CH]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)[S](C)(=O)=O;CC(CC1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C19H22N2O6S/c1-19(17(22)20-24,28(2,25)26)11-16-12-21(18(23)27-16)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13,16,24H,3-4,11-12H2,1-2H3,(H,20,22)/t16-,19+/m0/s1","","2018-08-28","2019-01-18","(2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide","2019-01-23"],["CX3","[2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dionato(2-)]platinum(1+)","C19 H22 N4 O2 Pt","O=C3c1c2c(ccc1)cccc2C(=O)N3CCC[N+]45[Pt](NCC4)NCC5;O=C1N(CCCN2CCN[Pt]NCC2)C(=O)c3cccc4cccc1c34;c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5","InChI=1S/C19H22N4O2.Pt/c20-8-12-22(13-9-21)10-3-11-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;/h1-2,4-7,20-21H,3,8-13H2;/q-2;+3","","2014-11-21","2015-08-28","[2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dionato(2-)]platinum(1+)","2015-09-02"],["JBB","3-(thiophen-2-ylsulfanylmethyl)benzoic acid","C12 H10 O2 S2","OC(=O)c1cccc(CSc2sccc2)c1;c1cc(cc(c1)C(=O)O)CSc2cccs2","InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14)","","2019-02-13","2020-02-28","3-(thiophen-2-ylsulfanylmethyl)benzoic acid","2020-03-04"],["CX4","7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine","C12 H12 Cl N3","Clc3ccc1c(ncnc1NCC2CC2)c3;Clc1ccc2c(NCC3CC3)ncnc2c1;c1cc2c(cc1Cl)ncnc2NCC3CC3","InChI=1S/C12H12ClN3/c13-9-3-4-10-11(5-9)15-7-16-12(10)14-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,14,15,16)","","2009-06-02","2011-06-04","7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine",""],["CX5","piperidin-1-yl(quinoxalin-6-yl)methanone","C14 H15 N3 O","O=C(c2cc1nccnc1cc2)N3CCCCC3;O=C(N1CCCCC1)c2ccc3nccnc3c2;c1cc2c(cc1C(=O)N3CCCCC3)nccn2","InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2","","2013-02-01","2013-10-04","piperidin-1-yl(quinoxalin-6-yl)methanone","2013-10-09"],["JBC","5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid","C14 H10 N2 O6","OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(O)=O;c1cc(c(cc1N=Nc2ccc(c(c2)C(=O)O)O)C(=O)O)O","InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+","","2021-05-12","2022-01-14","5-[(~{E})-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid","2022-01-19"],["JBD","~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide","C14 H14 Cl2 N6 O2 S","CNc1nc(Cl)nc2n(Cc3cc(Cl)ccc3N[S](C)(=O)=O)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cc(ccc3NS(=O)(=O)C)Cl","InChI=1S/C14H14Cl2N6O2S/c1-17-12-11-13(20-14(16)19-12)22(7-18-11)6-8-5-9(15)3-4-10(8)21-25(2,23)24/h3-5,7,21H,6H2,1-2H3,(H,17,19,20)","","2023-08-07","2023-12-01","~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide","2023-12-06"],["CX6","2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE","C13 H13 N O4","O=C1c3c(OC2N1CCC2)cc4OCCOc4c3;O=C1N2CCC[CH]2Oc3cc4OCCOc4cc13;c1c2c(cc3c1OCCO3)OC4CCCN4C2=O","InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1","","2005-08-18","2011-06-04","(6aR)-2,3,6a,7,8,9-hexahydro-11H-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one",""],["JBE","3-nitropyridin-2-amine","C5 H5 N3 O2","Nc1ncccc1[N+]([O-])=O;c1cc(c(nc1)N)[N+](=O)[O-]","InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)","","2019-02-13","2020-02-21","3-nitropyridin-2-amine","2020-02-26"],["CX7","Cotylenol","C21 H34 O4","O(C)CC3(O)C2=CC1(C(=C(CC1)C(C)C)C(O)C(O)C(C2CC3)C)C;COC[C]1(O)CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(CC[C]3(C)C=C12)C(C)C;CC1C2CCC(C2=CC3(CCC(=C3C(C1O)O)C(C)C)C)(COC)O","InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1","(1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a\n,d][8]annulene-1,5,6-triol","2011-07-06","2020-06-17","(1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5,6-triol","2016-05-04"],["CX8","[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum","C19 H21 N4 O2 Pt","O=C3c1c2c(ccc1)cccc2C(=O)N3CCCN5[Pt]4NCCN4CC5;O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45;c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5","InChI=1S/C19H21N4O2.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;/h1-2,4-7,20H,3,8-13H2;/q-3;+3","","2014-12-05","2015-08-28","[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum","2015-09-02"],["JBF","3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid","C15 H9 F N2 O3","OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F;c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F","InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)","","2021-05-12","2022-01-14","3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid","2022-01-19"],["JBG","N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine","C23 H27 Cl2 N3 O5","C1CN(CCN1C)CCOc3c(cc(C(=O)NC(Cc2ccccc2)C(O)=O)c(O)c3Cl)Cl;CN1CCN(CCOc2c(Cl)cc(C(=O)N[CH](Cc3ccccc3)C(O)=O)c(O)c2Cl)CC1;CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)NC(Cc3ccccc3)C(=O)O)Cl","InChI=1S/C23H27Cl2N3O5/c1-27-7-9-28(10-8-27)11-12-33-21-17(24)14-16(20(29)19(21)25)22(30)26-18(23(31)32)13-15-5-3-2-4-6-15/h2-6,14,18,29H,7-13H2,1H3,(H,26,30)(H,31,32)/t18-/m0/s1","","2018-08-28","2019-11-22","N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine","2019-11-27"],["CX9","3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE","C16 H18 N8 O4","Cn1cnc2N(C)C(=O)N(CCCN3C(=O)N(C)c4[nH]cnc4C3=O)C(=O)c12;Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C","InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)","BISDIONIN F;\n3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)PROPYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE","2011-03-10","2020-06-17","3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9H-purin-1-yl)propyl]purine-2,6-dione",""],["CXA","PHENYLALANINE-N-SULFONAMIDE","C9 H12 N2 O4 S","O=S(=O)(NC(C(=O)O)Cc1ccccc1)N;N[S](=O)(=O)N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)N","InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1","","2002-07-30","2011-06-04","N-sulfamoyl-L-phenylalanine",""],["JBH","3,4-dihydroquinazolin-4-ol","C8 H8 N2 O","O[CH]1NC=Nc2ccccc12;c1ccc2c(c1)C(NC=N2)O","InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1","","2019-02-13","2020-02-21","3,4-dihydroquinazolin-4-ol","2020-02-26"],["CXB","[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID","C7 H11 B N4 O4 S","O=C(C(=NOC)/c1nc(sc1)N)NCB(O)O;CON=C(C(=O)NCB(O)O)c1csc(N)n1;B(CNC(=O)C(=NOC)c1csc(n1)N)(O)O","InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5-","","2003-02-24","2011-06-04","({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid",""],["JBI","9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine","C23 H23 F N6 O","Fc1ccccc1Nc3nc2cnc(nc2n3C4CCCC4)Nc5ccc(OC)cc5;COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C5CCCC5)c3n2)cc1;COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5","InChI=1S/C23H23FN6O/c1-31-17-12-10-15(11-13-17)26-22-25-14-20-21(29-22)30(16-6-2-3-7-16)23(28-20)27-19-9-5-4-8-18(19)24/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,27,28)(H,25,26,29)","","2011-10-05","2012-01-20","9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine",""],["JBJ","(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide","C29 H26 F N5 O3 S","C(C(N4C(c1c(ccc(c1)c3ccc(N2CCNCC2)cc3)C4)=O)c5c(ccc(c5)F)O)(Nc6nccs6)=O;Oc1ccc(F)cc1[CH](N2Cc3ccc(cc3C2=O)c4ccc(cc4)N5CCNCC5)C(=O)Nc6sccn6;c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)C(c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6","InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1","","2017-06-28","2019-05-30","(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide","2019-06-05"],["CXC","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H17 N6 O13 P3","Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1;c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N","InChI=1S/C10H17N6O13P3/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1","","2019-05-24","2022-03-25","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2022-03-30"],["CXD","4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide","C18 H10 Cl3 F N4 O2","O=C(NCc2ccc(Cl)c(Oc1cc(C#N)cc(Cl)c1)c2F)c3c(Cl)ncn3;Fc1c(CNC(=O)c2[nH]cnc2Cl)ccc(Cl)c1Oc3cc(Cl)cc(c3)C#N;c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl","InChI=1S/C18H10Cl3FN4O2/c19-11-3-9(6-23)4-12(5-11)28-16-13(20)2-1-10(14(16)22)7-24-18(27)15-17(21)26-8-25-15/h1-5,8H,7H2,(H,24,27)(H,25,26)","","2012-10-15","2014-09-05","4-chloro-N-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-1H-imidazole-5-carboxamide","2013-01-04"],["JBK","2-azanyl-3-nitro-phenol","C6 H6 N2 O3","Nc1c(O)cccc1[N+]([O-])=O;c1cc(c(c(c1)O)N)[N+](=O)[O-]","InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2","","2019-02-13","2020-02-21","2-azanyl-3-nitro-phenol","2020-02-26"],["JBL","4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid","C21 H15 N3 O4","OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O;c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O","InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)","","2021-05-12","2022-01-14","4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid","2022-01-19"],["CXE","PENTAETHYLENE GLYCOL MONODECYL ETHER","C20 H42 O6","O(CCO)CCOCCOCCOCCOCCCCCCCCCC;CCCCCCCCCCOCCOCCOCCOCCOCCO;CCCCCCCCCCOCCOCCOCCOCCOCCO","InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3","","2003-05-02","2011-06-04","3,6,9,12,15-pentaoxapentacosan-1-ol",""],["JBN","1,2-oxazole-5-carboxamide","C4 H4 N2 O2","NC(=O)c1oncc1;c1cnoc1C(=O)N","InChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)","","2019-02-13","2020-02-28","1,2-oxazole-5-carboxamide","2020-03-04"],["CXF","CYCLOHEXYLFORMAMIDE","C7 H13 N O","O=CNC1CCCCC1;O=CNC1CCCCC1;C1CCC(CC1)NC=O","InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)","","1999-07-08","2011-06-04","N-cyclohexylformamide",""],["JBO","2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid","C14 H11 F3 N2 O2","Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F;Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F","InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)","","2021-05-12","2022-01-14","2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid","2022-01-19"],["CXG","METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE","C40 H55 N5 O6","CNC(=O)[CH](NC(=O)[C](O)(CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C;CC(C)(C)C(C(=O)NC)NC(=O)C(CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O","InChI=1S/C40H55N5O6/c1-38(2,3)32(34(46)41-7)42-36(48)40(50,26-28-16-11-9-12-17-28)24-15-25-45(44-35(47)33(39(4,5)6)43-37(49)51-8)27-29-20-22-31(23-21-29)30-18-13-10-14-19-30/h9-14,16-23,32-33,50H,15,24-27H2,1-8H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/t32-,33-,40-/m1/s1","","2010-11-17","2011-12-02","methyl N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate",""],["JBQ","5-fluoranyl-3,4-dihydroquinazolin-4-ol","C8 H7 F N2 O","O[CH]1NC=Nc2cccc(F)c12;c1cc2c(c(c1)F)C(NC=N2)O","InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1","","2019-02-13","2020-02-21","5-fluoranyl-3,4-dihydroquinazolin-4-ol","2020-02-26"],["CXH","~{N}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide","C8 H7 Cl2 N O S","SCC(=O)Nc1ccc(Cl)c(Cl)c1;c1cc(c(cc1NC(=O)CS)Cl)Cl","InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)","","2017-12-12","2018-03-23","~{N}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide","2018-03-28"],["CXI","2-(3-phenyloxetan-3-yl)ethanamine","C11 H15 N O","NCCC1(COC1)c2ccccc2;c1ccc(cc1)C2(COC2)CCN","InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2","","2022-04-06","2023-01-13","2-(3-phenyloxetan-3-yl)ethanamine","2023-01-18"],["JBR","4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid","C23 H16 O6","OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(O)=O)c1O;c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O","InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)","","2021-05-12","2022-01-14","4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid","2022-01-19"],["CXJ","(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid","C8 H6 F2 O3","c1c(cc(F)cc1C(C(O)=O)O)F;O[CH](C(O)=O)c1cc(F)cc(F)c1;c1c(cc(cc1F)F)C(C(=O)O)O","InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1","","2017-10-05","2018-10-05","(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid","2018-10-10"],["JBS","1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol","C30 H32 N6 O3","O5CCN(c3c1cc(ccc1nc(c2cnn(CC(C)(O)C)c2)n3)c4c(C)onc4C)C(C5)c6ccccc6;Cc1onc(C)c1c2ccc3nc(nc(N4CCOC[CH]4c5ccccc5)c3c2)c6cnn(CC(C)(C)O)c6;Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOCC5c6ccccc6","InChI=1S/C30H32N6O3/c1-19-27(20(2)39-34-19)22-10-11-25-24(14-22)29(36-12-13-38-17-26(36)21-8-6-5-7-9-21)33-28(32-25)23-15-31-35(16-23)18-30(3,4)37/h5-11,14-16,26,37H,12-13,17-18H2,1-4H3/t26-/m1/s1","","2018-08-29","2019-03-29","1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol","2019-04-03"],["JBT","GDP-N-acetylperosamine-coenzyme A","C39 H64 N13 O30 P5 S","O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(NC5C(OC(OP(=O)(OP(=O)(OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O)O)O)C(O)C5O)C)C)n6c7ncnc(N)c7nc6;C[CH](N[CH]1[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH]1O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O[P](O)(O)=O)n6cnc7c(N)ncnc67;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(C)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O","InChI=1S/C39H64N13O30P5S/c1-15-20(24(55)26(57)37(76-15)80-87(71,72)82-85(67,68)73-9-17-23(54)25(56)35(77-17)52-14-47-22-32(52)49-38(41)50-33(22)60)48-16(2)88-8-7-42-19(53)5-6-43-34(61)29(59)39(3,4)11-75-86(69,70)81-84(65,66)74-10-18-28(79-83(62,63)64)27(58)36(78-18)51-13-46-21-30(40)44-12-45-31(21)51/h12-18,20,23-29,35-37,48,54-59H,5-11H2,1-4H3,(H,42,53)(H,43,61)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H2,40,44,45)(H2,62,63,64)(H3,41,49,50,60)/t15-,16+,17-,18-,20-,23-,24+,25-,26+,27-,28-,29+,35-,36-,37-/m1/s1","","2012-03-23","2012-03-30","(3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5S,6R)-6-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-4,5-dihydroxy-2-methyltetrahydro-2H-pyran-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["CXL","CYCLOHEXANOL","C6 H12 O","OC1CCCCC1;OC1CCCCC1;C1CCC(CC1)O","InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2","","1999-07-08","2011-06-04","cyclohexanol",""],["JBU","(4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid","C6 H10 O6","OC[CH](O)[CH](O)CC(=O)C(O)=O;C(C(C(CO)O)O)C(=O)C(=O)O","InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1","","2021-05-13","2021-10-29","(4~{R},5~{R})-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid","2021-11-03"],["CXM","N-CARBOXYMETHIONINE","C6 H11 N O4 S","O=C(O)NC(C(=O)O)CCSC;CSCC[CH](NC(O)=O)C(O)=O;CSCCC(C(=O)O)NC(=O)O","InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1","","1999-07-08","2024-09-27","N-carboxy-L-methionine",""],["CXN","CLOXACILLIN","C19 H18 Cl N3 O5 S","O=C(O)C3N4C(=O)C(NC(=O)c2c(onc2c1ccccc1Cl)C)C4SC3(C)C;Cc1onc(c2ccccc2Cl)c1C(=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C(O)=O;Cc1c(c(no1)c2ccccc2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1","[3-(O-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]PENICILLIN","2000-08-10","2020-06-17","(2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["JBV","(4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine","C17 H22 F2 N8","Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(CC1)C(F)F;Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N4CC[CH](C4)C(F)F;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4CCC(C4)C(F)F)C","InChI=1S/C17H22F2N8/c1-10-8-20-11(2)16-21-13(23-27(10)16)4-5-14-22-17(24-25(14)3)26-7-6-12(9-26)15(18)19/h8,12,15H,4-7,9H2,1-3H3","","2022-02-01","2022-10-07","(4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["CXO","CYCLOHEXANE-1,2-DIONE","C6 H8 O2","O=C1C(=O)CCCC1;O=C1CCCCC1=O;C1CCC(=O)C(=O)C1","InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2","","2007-04-20","2011-06-04","cyclohexane-1,2-dione",""],["JBW","5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide","C17 H14 N4 O S","N#Cc4c3nc(n(c1sc(cc1)C(=O)NC2CC2)c3ccc4)C;Cc1nc2c(cccc2n1c3sc(cc3)C(=O)NC4CC4)C#N;Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N","InChI=1S/C17H14N4OS/c1-10-19-16-11(9-18)3-2-4-13(16)21(10)15-8-7-14(23-15)17(22)20-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,20,22)","","2014-02-12","2014-04-25","5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide","2014-04-30"],["CXP","CYCLOHEXANE PROPIONIC ACID","C9 H16 O2","O=C(O)CCC1CCCCC1;OC(=O)CCC1CCCCC1;C1CCC(CC1)CCC(=O)O","InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)","","1999-07-08","2024-09-27","3-cyclohexylpropanoic acid",""],["JBY","(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid","C14 H15 N3 O4","C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN;C[CH](N1C(=NC(=Cc2ccc(O)cc2)C1=O)CN)C(O)=O;CC(C(=O)O)N1C(=NC(=Cc2ccc(cc2)O)C1=O)CN","InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1","Gly-Ala-Try Chromophore","2018-08-29","2024-09-27","(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid","2019-03-13"],["JBZ","6-methoxy-1,3-benzothiazole-2-carboxylic acid","C9 H7 N O3 S","COc1ccc2nc(sc2c1)C(O)=O;COc1ccc2c(c1)sc(n2)C(=O)O","InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)","","2019-02-13","2020-02-21","6-methoxy-1,3-benzothiazole-2-carboxylic acid","2020-02-26"],["CXQ","benztropine","C21 H25 N O","CN1[CH]2CC[CH]1C[CH](C2)OC(c3ccccc3)c4ccccc4;CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4","InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+","","2017-12-13","2017-12-29","(1~{S},5~{R})-3-(diphenylmethyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane","2018-01-03"],["CXR","CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE","C15 H21 N5 O13 P2","O=P4(OCC5OC(n1c2N=CN(C(=[N@H])c2nc1)C3OC(C(O)C3O)COP(=O)(O)O4)C(O)C5O)O;O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=N)[N]2C=Nc45;c1nc2c3n1C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(O5)N(C2=N)C=N3)O)O)O)O)O)O","InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/b16-12+/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1","CYCLIC ADP-RIBOSE","2005-10-05","2020-06-17","(2R,3R,4S,5R,8S,10R,13R,14S,15R,16R,24E)-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide (non-preferred name)",""],["JC1","(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C28 H46 O3","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C)C(CCCC)CCO)CCC12)CC(O)C3;CCCC[CH](CCO)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CCCCC(CCO)C(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21-,24+,25+,26-,27-,28+/m0/s1","","2009-01-14","2011-06-04","(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1S,2S)-2-(2-hydroxyethyl)-1-methylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["JC2","(2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid","C19 H31 N4 O7 P","CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCN)C(O)=O;CC(C)CC(C(=O)NC(CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O","InChI=1S/C19H31N4O7P/c1-13(2)10-16(17(24)22-15(8-9-20)18(25)26)23-31(28,29)12-21-19(27)30-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,20H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/t15-,16-/m0/s1","","2016-12-13","2017-06-16","(2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid","2017-06-21"],["CXS","3-CYCLOHEXYL-1-PROPYLSULFONIC ACID","C9 H19 N O3 S","O=S(=O)(O)CCCNC1CCCCC1;O[S](=O)(=O)CCCNC1CCCCC1;C1CCC(CC1)NCCCS(=O)(=O)O","InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)","","1999-07-08","2011-06-04","3-(cyclohexylamino)propane-1-sulfonic acid",""],["CXT","Carboxyatractyloside","C31 H46 O18 S2","O=C(O)C4(C(=O)O)C5CCC12CC(/C(=C)C1O)CCC2C5(CC(OC3OC(C(OS(=O)(=O)O)C(OS(=O)(=O)O)C3OC(=O)CC(C)C)CO)C4)C;CC(C)CC(=O)O[CH]1[CH](O[CH]2C[C]3(C)[CH]4CC[CH]5C[C]4(CC[CH]3C(C2)(C(O)=O)C(O)=O)[CH](O)C5=C)O[CH](CO)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1","","2003-07-21","2014-01-14","(2alpha,8alpha,10alpha,13alpha,15beta)-15-hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid",""],["JC3","3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one","C20 H26 N4 O","CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CCC4)C(=O)N3C;CN1CC(CC(C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4","InChI=1S/C20H26N4O/c1-23-12-15(14-7-4-3-5-8-14)11-16(13-23)21-20-22-18-10-6-9-17(18)19(25)24(20)2/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,22)/t15-,16+/m0/s1","","2021-05-14","2021-10-15","3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-one","2021-10-20"],["CXU","CLOXACILLIN (OPEN FORM)","C19 H20 Cl N3 O5 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C;Cc1onc(c2ccccc2Cl)c1C(=O)N[CH](C=O)[CH]3N[CH](C(O)=O)C(C)(C)S3;Cc1c(c(no1)c2ccccc2Cl)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O","InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15+,17-/m1/s1","(2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2011-08-16","2024-09-27","(2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["JC4","2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid","C19 H19 N O10","c3cc(c1cc([N+](=O)[O-])cc(C(O)=O)c1)c(OC2OC(CO)C(C(C2O)O)O)cc3;OC[CH]1O[CH](Oc2ccccc2c3cc(cc(c3)[N+]([O-])=O)C(O)=O)[CH](O)[CH](O)[CH]1O;c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C19H19NO10/c21-8-14-15(22)16(23)17(24)19(30-14)29-13-4-2-1-3-12(13)9-5-10(18(25)26)7-11(6-9)20(27)28/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15+,16+,17-,19-/m1/s1","","2018-08-29","2019-08-30","2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid","2019-09-04"],["JC5","[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine","C20 H27 N3 O2","COc1c(CN)cc(CN)cc1OCCCN2Cc3ccccc3C2;COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN","InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3","","2019-02-14","2019-07-12","[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine","2019-07-17"],["CXV","(2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid\nine-4-carboxylic acid","C19 H20 Cl N3 O5 S","O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C;Cc1onc(c2ccccc2Cl)c1C(=O)N[CH](C=O)[CH]3N[CH](C(O)=O)C(C)(C)S3;Cc1c(c(no1)c2ccccc2Cl)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O","InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15-,17+/m0/s1","CLOXACILLIN open form (1R form)","2011-08-17","2024-09-27","(2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["JC6","Steviolbioside","C32 H50 O13","C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(O)=O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)O","InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1","","2021-05-17","2021-12-03","","2021-12-08"],["CXW","2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol","C20 H28 N4 O2","O(CCNCc1ccccc1O)C2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCc3ccccc3O)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCc3ccccc3O","InChI=1S/C20H28N4O2/c1-14-8-17(24-20(21)9-14)10-16-12-23-13-19(16)26-7-6-22-11-15-4-2-3-5-18(15)25/h2-5,8-9,16,19,22-23,25H,6-7,10-13H2,1H3,(H2,21,24)/t16-,19+/m0/s1","","2011-10-18","2012-03-09","2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol",""],["JC7","N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide","C22 H25 F3 N2 O8 S","c3ccc(OC1C(NC(C)=O)C(O)C(C(CO)O1)O)c(c2cc(NS(=O)(=O)C)ccc2)c3C(F)(F)F;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2cccc(c2c3cccc(N[S](C)(=O)=O)c3)C(F)(F)F;CC(=O)NC1C(C(C(OC1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O","InChI=1S/C22H25F3N2O8S/c1-11(29)26-18-20(31)19(30)16(10-28)35-21(18)34-15-8-4-7-14(22(23,24)25)17(15)12-5-3-6-13(9-12)27-36(2,32)33/h3-9,16,18-21,27-28,30-31H,10H2,1-2H3,(H,26,29)/t16-,18-,19+,20-,21-/m1/s1","","2018-08-29","2019-08-30","N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide","2019-09-04"],["CXX","3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE","C19 H23 Cl N2","Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C;CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13;CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl","InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3","3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine","2007-06-07","2020-06-17","3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine",""],["JC8","6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide","C17 H17 F N4 O","NC(=O)c1ccc(nc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4;c1cc(ncc1C(=O)N)c2cc(cnc2F)C3CC4CCC3N4","InChI=1S/C17H17FN4O/c18-16-13(14-3-1-9(7-20-14)17(19)23)5-10(8-21-16)12-6-11-2-4-15(12)22-11/h1,3,5,7-8,11-12,15,22H,2,4,6H2,(H2,19,23)/t11-,12+,15+/m0/s1","","2019-02-19","2020-03-13","6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide","2020-03-18"],["CXY","CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE","C14 H23 N3 O15 P2","O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O;NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3OC[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O;C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O)O)O","InChI=1S/C14H23N3O15P2/c15-7-1-2-17(14(23)16-7)12-10(21)9(20)6(30-12)4-29-33(24,25)32-34(26,27)31-13-11(22)8(19)5(18)3-28-13/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H2,15,16,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1","","2005-01-04","2011-06-04","[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["JC9","(2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one","C13 H16 Cl N O","CN[C]1(CCCCC1=O)c2ccccc2Cl;CNC1(CCCCC1=O)c2ccccc2Cl","InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1","Esketamine","2021-05-18","2022-10-17","(2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one","2021-07-28"],["CXZ","4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol","C19 H20 Cl N3 O4","Clc1cc(c(O)cc1O)c4noc3c4cc(NCCN2CCOCC2)cc3;Oc1cc(O)c(cc1Cl)c2noc3ccc(NCCN4CCOCC4)cc23;c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl","InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2","","2007-12-14","2011-06-04","4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol",""],["JCA","N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","C27 H30 N8 O S","CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3;Cc1ccc(cc1Nc2nc(cs2)c3nccc(n3)N)NC(=O)c4ccc(cc4)CN5CCN(CC5)C","InChI=1S/C27H30N8OS/c1-18-3-8-21(15-22(18)31-27-32-23(17-37-27)25-29-10-9-24(28)33-25)30-26(36)20-6-4-19(5-7-20)16-35-13-11-34(2)12-14-35/h3-10,15,17H,11-14,16H2,1-2H3,(H,30,36)(H,31,32)(H2,28,29,33)","","2022-04-25","2023-06-02","~{N}-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide","2023-06-07"],["CY0","S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE","C20 H21 N5 O3 S","O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3;N[CH](CSCCC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1)C(O)=O;c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSCC(C(=O)O)N","InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1","","2006-09-14","2024-09-27","S-(3-oxo-3-{[4-(phenylamino)quinazolin-6-yl]amino}propyl)-L-cysteine",""],["JCB","N-(P-TOLUENESULFONYL)-INDOLE","C15 H13 N O2 S","O=S(=O)(c1ccc(cc1)C)n3c2ccccc2cc3;Cc1ccc(cc1)[S](=O)(=O)n2ccc3ccccc23;Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3","InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3","","2003-07-17","2011-06-04","1-[(4-methylphenyl)sulfonyl]-1H-indole",""],["CY1","ACETAMIDOMETHYLCYSTEINE","C6 H12 N2 O3 S","O=C(NCSCC(C(=O)O)N)C;CC(=O)NCSC[CH](N)C(O)=O;CC(=O)NCSCC(C(=O)O)N","InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1","","1999-10-12","2024-09-27","S-[(acetylamino)methyl]-L-cysteine",""],["CY3","2-AMINO-3-MERCAPTO-PROPIONAMIDE","C3 H8 N2 O S","O=C(N)C(N)CS;N[CH](CS)C(N)=O;C(C(C(=O)N)N)S","InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1","","1999-10-22","2024-09-27","L-cysteinamide",""],["JCD","2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid","C21 H22 N2 O10","[N+](=O)(c1cc(cc(c1)c3c(OC2C(NC(C)=O)C(O)C(C(CO)O2)O)cccc3)C(O)=O)[O-];CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccccc2c3cc(cc(c3)[N+]([O-])=O)C(O)=O;CC(=O)NC1C(C(C(OC1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O","InChI=1S/C21H22N2O10/c1-10(25)22-17-19(27)18(26)16(9-24)33-21(17)32-15-5-3-2-4-14(15)11-6-12(20(28)29)8-13(7-11)23(30)31/h2-8,16-19,21,24,26-27H,9H2,1H3,(H,22,25)(H,28,29)/t16-,17-,18+,19-,21-/m1/s1","","2018-08-29","2019-08-30","2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid","2019-09-04"],["JCE","5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine","C17 H15 N5","Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2;c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N","InChI=1S/C17H15N5/c18-17-10-15(20-21-17)13-5-4-12-6-8-22(16(12)9-13)11-14-3-1-2-7-19-14/h1-10H,11H2,(H3,18,20,21)","","2019-02-19","2020-03-13","5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine","2020-03-18"],["CY4","S-BUTYRYL-CYSTEIN","C7 H13 N O3 S","O=C(O)C(N)CSC(=O)CCC;CCCC(=O)SC[CH](N)C(O)=O;CCCC(=O)SCC(C(=O)O)N","InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1","","2002-07-10","2024-09-27","S-butanoyl-L-cysteine",""],["JCF","8-hydroxy-2-methylquinoline-6-carboxamide","C11 H10 N2 O2","O=C(c1cc(O)c2nc(ccc2c1)C)N;Cc1ccc2cc(cc(O)c2n1)C(N)=O;Cc1ccc2cc(cc(c2n1)O)C(=O)N","InChI=1S/C11H10N2O2/c1-6-2-3-7-4-8(11(12)15)5-9(14)10(7)13-6/h2-5,14H,1H3,(H2,12,15)","","2014-12-04","2015-10-09","8-hydroxy-2-methylquinoline-6-carboxamide","2015-10-14"],["CY5","[(2S)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYL)-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID","C14 H17 N3 O4 S","O=C1C(=NC(N1CC(=O)O)C(N)CS)Cc2ccc(O)cc2;N[CH](CS)[CH]1N=C(Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1CC2=NC(N(C2=O)CC(=O)O)C(CS)N)O","InChI=1S/C14H17N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-4,10,13,18,22H,5-7,15H2,(H,19,20)/t10-,13-/m0/s1","","2007-05-22","2026-02-13","[(2S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid","2026-02-18"],["JCG","(2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","C24 H25 F N2 O6 S","C3(C=C(c2c(F)cc(OCc1ccccc1)cc2)C=CN3CCC(C)(S(C)(=O)=O)C(=O)NO)=O;C[C](CCN1C=CC(=CC1=O)c2ccc(OCc3ccccc3)cc2F)(C(=O)NO)[S](C)(=O)=O;CC(CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C","InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m1/s1","","2018-08-29","2019-06-21","(2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide","2019-06-26"],["CY6","N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE","C29 H42 N4 O7","O=C(NC(C(=O)CC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC=C(/C)C)C(C)C)c2noc(c2)C;CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC=C(C)C)CC(=O)[CH](NC(=O)c2cc(C)on2)C(C)C;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O)C(C(C)C)NC(=O)c2cc(on2)C","InChI=1S/C29H42N4O7/c1-7-39-25(35)11-10-22(15-21-12-13-30-27(21)36)31-28(37)20(9-8-17(2)3)16-24(34)26(18(4)5)32-29(38)23-14-19(6)40-33-23/h8,10-11,14,18,20-22,26H,7,9,12-13,15-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)/b11-10+/t20-,21+,22-,26+/m1/s1","","2005-09-14","2024-09-27","ethyl (2E,4S)-4-{[(2R,5S)-6-methyl-2-(3-methylbut-2-en-1-yl)-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate",""],["JCH","3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","C19 H18 N4 O","COc1ccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)cc1;COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N","InChI=1S/C19H18N4O/c1-24-16-6-2-13(3-7-16)12-23-9-8-14-4-5-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22)","","2019-02-19","2019-09-13","3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","2019-09-18"],["CY7","S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}-3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN-6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]-3-OXOPROPYL}-L-CYSTEINE","C33 H36 Cl N7 O5 S","O=C(O)C(N)CSC(CN(C)C)CC(=O)Nc4c(OCC)cc3c(/C(=N/c2ccc(OCc1ncccc1)c(Cl)c2)C(C#N)=CN3)c4;CCOc1cc2NC=C(C#N)C(=Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C[CH](CN(C)C)SC[CH](N)C(O)=O;CCOc1cc2c(cc1NC(=O)CC(CN(C)C)SCC(C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N","InChI=1S/C33H36ClN7O5S/c1-4-45-30-14-27-24(13-28(30)40-31(42)12-23(17-41(2)3)47-19-26(36)33(43)44)32(20(15-35)16-38-27)39-21-8-9-29(25(34)11-21)46-18-22-7-5-6-10-37-22/h5-11,13-14,16,23,26H,4,12,17-19,36H2,1-3H3,(H,38,39)(H,40,42)(H,43,44)/t23-,26-/m0/s1","","2007-07-02","2011-06-04","S-{(1S)-3-{[(4Z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-L-cysteine",""],["CY8","Cyclopamine","C27 H41 N O2","OC6CC5=CCC4C(CC3=C(C1(OC2CC(CNC2C1C)C)CCC34)C)C5(C)CC6;C[CH]1CN[CH]2[CH](C)[C]3(CC[CH]4[CH]5CC=C6C[CH](O)CC[C]6(C)[CH]5CC4=C3C)O[CH]2C1;CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1","InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1","(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol","2014-01-07","2021-03-13","(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol","2014-03-05"],["JCI","(3R,5R)-3-(2-{[ethynyl(methyl)amino]methyl}-1,3-thiazol-4-yl)-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C19 H18 N6 O4 S","CN(Cc1nc(cs1)C1(O)CC(NC1)c1nc(no1)c1ccccc1[N+]([O-])=O)C#C;CN(Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccccc4[N+]([O-])=O)C#C;CN(Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccccc4[N+](=O)[O-])O)C#C","InChI=1S/C19H18N6O4S/c1-3-24(2)9-16-21-15(10-30-16)19(26)8-13(20-11-19)18-22-17(23-29-18)12-6-4-5-7-14(12)25(27)28/h1,4-7,10,13,20,26H,8-9,11H2,2H3/t13-,19-/m1/s1","","2023-08-07","2026-04-05","(3R,5R)-3-(2-{[ethynyl(methyl)amino]methyl}-1,3-thiazol-4-yl)-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2024-08-14"],["CY9","(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate","C30 H37 N O6","O=C1NC(C3C12C(C=CCC(C(=O)C(O)(C=CC2OC(=O)C)C)C)C(O)/C(=C)C3C)Cc4ccccc4;C[CH]1CC=C[CH]2[CH](O)C(=C)[CH](C)[CH]3[CH](Cc4ccccc4)NC(=O)[C]23[CH](OC(C)=O)C=C[C](C)(O)C1=O;CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC3Cc4ccccc4)C)O","InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1","Cytochalasin D","2008-09-25","2021-03-01","(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate",""],["JCJ","3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one","C18 H12 Br N5 O","O=C1C=CN(N=C1c1ccnn1c1cc(Br)ccc1)c1ccncc1;Brc1cccc(c1)n2nccc2C3=NN(C=CC3=O)c4ccncc4;c1cc(cc(c1)Br)n2c(ccn2)C3=NN(C=CC3=O)c4ccncc4","InChI=1S/C18H12BrN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H","","2022-02-01","2022-10-07","3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one","2022-10-12"],["JCK","5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C24 H24 N6","Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)c1C#N;c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5","InChI=1S/C24H24N6/c25-14-21-23(27-28-24(21)26)20-8-7-19-9-12-30(22(19)13-20)16-18-5-3-17(4-6-18)15-29-10-1-2-11-29/h3-9,12-13H,1-2,10-11,15-16H2,(H3,26,27,28)","","2019-02-19","2020-03-13","5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2020-03-18"],["CYA","TWO OXYGEN ATOMS BOUND TO SG OF CYS","O2","[O].[O];O.O","InChI=1/2H2O/h2*1H2","","1999-07-08","2009-01-07","oxidane",""],["CYB","PHYCOUROBILIN","C32 H40 N4 O6","CCC1=CC(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1=CC(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C","InChI=1S/C32H40N4O6/c1-6-19-12-29(37)35-26(19)14-24-18(5)22(9-11-31(40)41)28(34-24)15-27-21(8-10-30(38)39)17(4)23(33-27)13-25-16(3)20(7-2)32(42)36-25/h12,15,25-26,34H,6-11,13-14H2,1-5H3,(H,35,37)(H,36,42)(H,38,39)(H,40,41)/b27-15-/t25-,26-/m0/s1","","1999-07-08","2011-06-04","3-(2-[(Z)-(3-(2-carboxyethyl)-5-{[(2S)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene)methyl]-5-{[(2S)-3-ethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid",""],["JCL","4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE","C8 H12 Cl N2 O6 P","ClC1=C(C(=O)NC(=O)N1)CCCCOP(=O)(O)O;O[P](O)(=O)OCCCCC1=C(Cl)NC(=O)NC1=O;C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl","InChI=1S/C8H12ClN2O6P/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17-18(14,15)16/h1-4H2,(H2,14,15,16)(H2,10,11,12,13)","","2005-12-09","2011-06-04","4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl dihydrogen phosphate",""],["JCM","4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine","C30 H37 N7 S","CCCN(c1scc(n1)c2nccc(N)n2)c3cc(ccc3C)c4ccc(CCN5CCN(C)CC5)cc4;CCCN(c1cc(ccc1C)c2ccc(cc2)CCN3CCN(CC3)C)c4nc(cs4)c5nccc(n5)N","InChI=1S/C30H37N7S/c1-4-14-37(30-33-26(21-38-30)29-32-13-11-28(31)34-29)27-20-25(8-5-22(27)2)24-9-6-23(7-10-24)12-15-36-18-16-35(3)17-19-36/h5-11,13,20-21H,4,12,14-19H2,1-3H3,(H2,31,32,34)","","2022-04-25","2023-06-02","4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-~{N}-propyl-1,3-thiazol-2-amine","2023-06-07"],["CYC","PHYCOCYANOBILIN","C33 H40 N4 O6","CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C;CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1","","1999-07-08","2024-09-27","(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",""],["JCO","N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide","C16 H22 N2 O3 S","CCN1C(=O)Cc2cc(N[S](=O)(=O)C3CCCCC3)ccc12;CCN1c2ccc(cc2CC1=O)NS(=O)(=O)C3CCCCC3","InChI=1S/C16H22N2O3S/c1-2-18-15-9-8-13(10-12(15)11-16(18)19)17-22(20,21)14-6-4-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3","N-(1-ethyl-2-oxoindolin-5-yl)cyclohexanesulfonamide","2022-08-09","2023-07-21","~{N}-(1-ethyl-2-oxidanylidene-3~{H}-indol-5-yl)cyclohexanesulfonamide","2023-07-26"],["CYD","2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-HEXANOIC ACID","C9 H16 N2 O5 S","O=C(O)C(N)CSCC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)CSC[CH](N)C(O)=O)C(O)=O;C(CC(=O)CSCC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C9H16N2O5S/c10-6(8(13)14)2-1-5(12)3-17-4-7(11)9(15)16/h6-7H,1-4,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1","","2003-04-04","2024-09-27","6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-oxo-L-norleucine",""],["JCP","6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C20 H19 N7 O2","O=C(Nc1cnccc1C(=O)NC)c1nc(ccc1Nc1cncnc1)C1CC1;CNC(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;CNC(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C20H19N7O2/c1-21-19(28)14-6-7-22-10-17(14)27-20(29)18-16(25-13-8-23-11-24-9-13)5-4-15(26-18)12-2-3-12/h4-12,25H,2-3H2,1H3,(H,21,28)(H,27,29)","","2022-02-01","2022-10-07","6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["CYE","45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE","C45 H55 N16 O8","O=C6Nc1cc(n(c1)C)C(=O)Nc2cc(n(c2)C)C(=O)NCCCC(=O)Nc3c[n+](c(c3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc7nc6n(c7)C)C;Cn1cc2NC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)C7=CC(=C[NH+]7C)NC(=O)CCCNC(=O)c1c2)cn6C)cn5CCCN)cn4C)cn3C;Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C","InChI=1S/C45H54N16O8/c1-56-21-27-16-31(56)40(64)47-12-6-9-37(62)49-26-15-32(57(2)20-26)42(66)51-28-17-33(58(3)22-28)44(68)52-30-19-35(61(24-30)14-8-11-46)41(65)48-13-7-10-38(63)54-36-25-60(5)39(55-36)45(69)53-29-18-34(43(67)50-27)59(4)23-29/h15-25H,6-14,46H2,1-5H3,(H,47,64)(H,48,65)(H,49,62)(H,50,67)(H,51,66)(H,52,68)(H,53,69)(H,54,63)/p+1","","2003-06-23","2011-06-04","(11S)-45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene",""],["JCQ","(3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate","C12 H12 N2 O3","COc1cccc(COC(=O)c2c[nH]nc2)c1;COc1cccc(c1)COC(=O)c2c[nH]nc2","InChI=1S/C12H12N2O3/c1-16-11-4-2-3-9(5-11)8-17-12(15)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14)","","2019-02-19","2019-09-13","(3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate","2019-09-18"],["CYF","5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID","C25 H23 N3 O7 S","O=C(N)C(N)CSCC(=O)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4;N[CH](CSCC(=O)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O)C(N)=O;c1cc(c(cc1NC(=O)CSCC(C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O","InChI=1S/C25H23N3O7S/c26-19(24(27)32)10-36-11-22(31)28-12-1-4-15(18(7-12)25(33)34)23-16-5-2-13(29)8-20(16)35-21-9-14(30)3-6-17(21)23/h1-9,19,23,29-30H,10-11,26H2,(H2,27,32)(H,28,31)(H,33,34)/t19-/m0/s1","","1999-07-08","2024-09-27","5-[({[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetyl)amino]-2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid",""],["CYG","2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-BUTYRIC ACID","C8 H14 N2 O5 S","O=C(O)C(N)CSC(=O)CCC(C(=O)O)N;N[CH](CCC(=O)SC[CH](N)C(O)=O)C(O)=O;C(CC(=O)SCC(C(=O)O)N)C(C(=O)O)N","InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)16-3-5(10)8(14)15/h4-5H,1-3,9-10H2,(H,12,13)(H,14,15)/t4-,5-/m0/s1","","1999-07-08","2024-09-27","(2S)-2-amino-5-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-oxopentanoic acid",""],["JCR","8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione","C22 H20 N6 O2","CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccccc5n4)nc12;CCN1c2c(n(c(n2)Cc3[nH]c4ccccc4n3)Cc5ccccc5)C(=O)NC1=O","InChI=1S/C22H20N6O2/c1-2-27-20-19(21(29)26-22(27)30)28(13-14-8-4-3-5-9-14)18(25-20)12-17-23-15-10-6-7-11-16(15)24-17/h3-11H,2,12-13H2,1H3,(H,23,24)(H,26,29,30)","","2022-04-26","2022-09-02","8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione","2022-09-07"],["JCT","biotinylated ruthenium cyclopentadienide","C29 H28 N5 O5 Ru S","O.[Ru]OC(=O)c1cc(N2CCN(CC2)C(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)c5ccccc5n1.C6CCCC6;c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCCC1C2C(CS1)NC(=O)N2","InChI=1S/C24H29N5O4S.C5H5.H2O.Ru/c30-21(8-4-3-7-20-22-18(14-34-20)26-24(33)27-22)29-11-9-28(10-12-29)19-13-17(23(31)32)25-16-6-2-1-5-15(16)19;1-2-4-5-3-1;;/h1-2,5-6,13,18,20,22H,3-4,7-12,14H2,(H,31,32)(H2,26,27,33);1-5H;1H2;/q;;;+2/p-2/t18-,20-,22-;;;/m0.../s1","","2018-01-12","2018-08-17","","2018-08-22"],["CYH","CYCLOHEXANONE","C6 H10 O","O=C1CCCCC1;O=C1CCCCC1;C1CCC(=O)CC1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2","","1999-07-08","2011-06-04","cyclohexanone",""],["JCU","10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine","C11 H13 N3","CN1Cc2cccc3CCN(C1=N)c23;CN1Cc2cccc3c2N(C1=N)CC3","InChI=1S/C11H13N3/c1-13-7-9-4-2-3-8-5-6-14(10(8)9)11(13)12/h2-4,12H,5-7H2,1H3/b12-11-","","2021-05-19","2022-05-13","10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine","2022-05-18"],["CYI","CYCLOHEXYL ISOCYANIDE","C7 H11 N","isocyanocyclohexane;[C-]#[N+]C1CCCCC1;[C-]#[N+]C1CCCCC1","InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2","","2005-07-15","2011-06-04","cyclohexyl isocyanide",""],["JCV","[(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate","C98 H193 O19 P","C[CH]1CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](COCC[CH](C)CCC1)CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOC(COCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)C)C)C)C)COP(=O)(O)OC2C(C(C(C(C2O)O)O)O)O)C)C)C)C)C)C)C)C)COC3C(C(C(C(O3)CO)O)O)O)C)C","InChI=1S/C98H193O19P/c1-70-29-17-33-74(5)41-25-49-82(13)57-61-110-66-86(68-114-98-96(107)90(101)89(100)88(65-99)116-98)112-63-59-84(15)51-27-43-76(7)35-19-31-72(3)39-23-47-80(11)55-56-81(12)48-24-40-73(4)32-20-36-77(8)44-28-52-85(16)60-64-113-87(69-115-118(108,109)117-97-94(105)92(103)91(102)93(104)95(97)106)67-111-62-58-83(14)50-26-42-75(6)34-18-30-71(2)38-22-46-79(10)54-53-78(9)45-21-37-70/h70-107H,17-69H2,1-16H3,(H,108,109)/t70-,71-,72-,73-,74+,75+,76+,77+,78-,79-,80-,81-,82+,83+,84+,85+,86-,87-,88+,89+,90-,91-,92-,93+,94+,95+,96+,97-,98+/m0/s1","","2023-08-07","2024-07-05","[(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate","2024-07-10"],["CYJ","(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-L-LYSINE","C16 H27 N3 O6","O=C(O)C(N)CCCC/N=C1/CNCC(CCC(=O)O)C1CC(=O)O;N[CH](CCCCN=C1CNC[CH](CCC(O)=O)[CH]1CC(O)=O)C(O)=O;C1C(C(C(=NCCCCC(C(=O)O)N)CN1)CC(=O)O)CCC(=O)O","InChI=1S/C16H27N3O6/c17-12(16(24)25)3-1-2-6-19-13-9-18-8-10(4-5-14(20)21)11(13)7-15(22)23/h10-12,18H,1-9,17H2,(H,20,21)(H,22,23)(H,24,25)/b19-13-/t10-,11-,12+/m1/s1","2-AMINO-6-(3-CARBOXY-1-[(4-CARBOXY-2-OXO-BUTYLAMINO)-METHYL]-PROPYLIDENEAMINO)-HEXANOIC ACID","2005-09-11","2024-09-27","(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-L-lysine",""],["CYK","N-hexanoyl-L-homocysteine","C10 H19 N O3 S","O=C(O)C(NC(=O)CCCCC)CCS;CCCCCC(=O)N[CH](CCS)C(O)=O;CCCCCC(=O)NC(CCS)C(=O)O","InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1","","2008-06-18","2011-06-04","N-hexanoyl-L-homocysteine",""],["JCW","2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide","C17 H17 F N4 O","NC(=O)c1ccnc(c1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4;c1cnc(cc1C(=O)N)c2cc(cnc2F)C3CC4CCC3N4","InChI=1S/C17H17FN4O/c18-16-13(15-6-9(17(19)23)3-4-20-15)5-10(8-21-16)12-7-11-1-2-14(12)22-11/h3-6,8,11-12,14,22H,1-2,7H2,(H2,19,23)/t11-,12+,14+/m0/s1","","2019-02-19","2020-03-13","2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide","2020-03-18"],["JCX","(2S,3R)-2-azanyl-3-phenyl-butanoic acid","C10 H13 N O2","C[CH]([CH](N)C(O)=O)c1ccccc1;CC(c1ccccc1)C(C(=O)O)N","InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m1/s1","","2021-05-19","2022-03-11","(2~{S},3~{R})-2-azanyl-3-phenyl-butanoic acid","2022-03-16"],["CYL","VALIENAMINE","C7 H13 N O4","OC1C(=CC(N)C(O)C1O)CO;N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O;C1=C(C(C(C(C1N)O)O)O)CO","InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1","","1999-07-08","2008-10-14","(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",""],["JCY","1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine","C25 H30 F N5 O","c1c4c(cc(c1)c2c(cc(cc2)F)OCCc3c(n(C)nc3C)C)c(CN(C)C)nn4C;CN(C)Cc1nn(C)c2ccc(cc12)c3ccc(F)cc3OCCc4c(C)nn(C)c4C;Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F","InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3","","2018-08-30","2019-05-30","1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine","2019-06-05"],["CYM","S-METHYLCYSTEINE","C4 H9 N O2 S","O=C(O)C(N)CSC;CSC[CH](N)C(O)=O;CSCC(C(=O)O)N","InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/f/h6H","","1999-07-08","2009-01-07","S-methyl-L-cysteine",""],["JCZ","3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine","C11 H10 N4","Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2;c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N","InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15)","","2019-02-19","2020-03-13","3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine","2020-03-18"],["CYN","CYANIDE ION","C N","[C-]#N;[C-]#N;[C-]#N","InChI=1S/CN/c1-2/q-1","","1999-07-08","2024-09-27","cyanide",""],["CYO","OXYGENS BOUND TO CYS SG","O3","[O].[O].[O];O.O.O","InChI=1/3H2O/h3*1H2","","1999-07-08","2008-10-14","oxidane",""],["JD1","[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)","C15 H20 N2 O7 P2","O=P(O)(O)C(Nc1cc(cnc1)c2ccc(OC(C)C)cc2)P(=O)(O)O;CC(C)Oc1ccc(cc1)c2cncc(NC([P](O)(O)=O)[P](O)(O)=O)c2;CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C15H20N2O7P2/c1-10(2)24-14-5-3-11(4-6-14)12-7-13(9-16-8-12)17-15(25(18,19)20)26(21,22)23/h3-10,15,17H,1-2H3,(H2,18,19,20)(H2,21,22,23)","","2014-03-31","2015-04-10","[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)","2015-04-15"],["CYP","9R,10R-9-GLUTATHIONYL-10-HYDROXY-9,10-DIHYDRO PHENANTHRENE","C24 H27 N3 O7 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O;N[CH](CCC(=O)N[CH](CS[CH]1[CH](O)c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O;c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1/f/h26-27,29,33H","","1999-07-08","2008-10-14","L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine",""],["JD2","5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C18 H14 N6","Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N;c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N","InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)13-5-4-12-6-8-24(16(12)9-13)11-14-3-1-2-7-21-14/h1-9H,11H2,(H3,20,22,23)","","2019-02-19","2020-03-13","5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2020-03-18"],["JD3","(2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid","C12 H14 N2 O2","C[CH]([CH](N)C(O)=O)c1c[nH]c2ccccc12;CC(c1c[nH]c2c1cccc2)C(C(=O)O)N","InChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11+/m1/s1","","2021-05-20","2022-03-11","(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)butanoic acid","2022-03-16"],["CYQ","2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID","C4 H10 N O5 P S","O=P(O)(O)CSCC(N)C(=O)O;N[CH](CSC[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)SCP(=O)(O)O","InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","S-METHYL PHOSPHOCYSTEINE","1999-10-04","2024-09-27","S-(phosphonomethyl)-L-cysteine",""],["CYR","N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE","C9 H19 N4 O4 S","O=C(O)C(N)CCCNC(SCC(N)C(=O)O)=[NH2+];N[CH](CCCNC(=[NH2+])SC[CH](N)C(O)=O)C(O)=O;C(CC(C(=O)O)N)CNC(=[NH2+])SCC(C(=O)O)N","InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1","L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE","2005-08-04","2024-09-27","{[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium",""],["JD5","[({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)","C15 H18 N2 O7 P2","O=P(O)(O)C(Nc1cc(cnc1)c3ccc(OC2CC2)cc3)P(=O)(O)O;O[P](O)(=O)C(Nc1cncc(c1)c2ccc(OC3CC3)cc2)[P](O)(O)=O;c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3","InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23)","","2013-03-15","2014-12-26","[({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)","2014-12-31"],["JD6","2,3-dimethylquinoxalin-6-amine","C10 H11 N3","Nc1cc2nc(C)c(C)nc2cc1;Cc1nc2ccc(N)cc2nc1C;Cc1c(nc2cc(ccc2n1)N)C","InChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3","","2022-02-01","2022-10-07","2,3-dimethylquinoxalin-6-amine","2022-10-12"],["CYS","CYSTEINE","C3 H7 N O2 S","O=C(O)C(N)CS;N[CH](CS)C(O)=O;C(C(C(=O)O)N)S","InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1","","1999-07-08","2024-09-27","L-cysteine",""],["JD7","4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile","C14 H13 N3","C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3;N#Cc1ccc(cc1)[CH]2CCCc3cncn23;c1cc(ccc1C#N)C2CCCc3n2cnc3","InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1","fadrozole","2018-08-30","2020-06-17","4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile","2018-11-21"],["CYT","6-AMINOPYRIMIDIN-2(1H)-ONE","C4 H5 N3 O","O=C1N=CC=C(N)N1;NC1=CC=NC(=O)N1;C1=C(NC(=O)N=C1)N","InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)","CYTOSINE","2007-01-29","2020-06-17","6-aminopyrimidin-2(1H)-one",""],["JD8","5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C19 H22 N6","CN1CCCC[CH]1Cn2ccc3ccc(cc23)c4n[nH]c(N)c4C#N;CN1CCCCC1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N","InChI=1S/C19H22N6/c1-24-8-3-2-4-15(24)12-25-9-7-13-5-6-14(10-17(13)25)18-16(11-20)19(21)23-22-18/h5-7,9-10,15H,2-4,8,12H2,1H3,(H3,21,22,23)/t15-/m1/s1","","2019-02-19","2019-09-13","5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["CYU","CALYCULIN A","C50 H81 N4 O15 P","N#CC=C(/C=C/C=C(/C(=C/C(C)C(O)C(C)C(O)CC(OC)C3OC1(OC(C(C(O)C1)C)CC=Cc2nc(oc2)C(C)CCNC(=O)C(O)C(O)C(N(C)C)COC)C(C3OP(=O)(O)O)(C)C)C)C)C;COCC(C(O)C(O)C(=O)NCC[CH](C)c1occ(C=CC[CH]2O[C]3(C[CH](O)[CH]2C)O[CH]([CH](C[CH](O)[CH](C)[CH](O)[CH](C)C=C(C)C(C)=CC=CC(C)=CC#N)OC)[CH](O[P](O)(O)=O)C3(C)C)n1)N(C)C;CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=Cc3coc(n3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O","InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37?,38-,39+,40-,41-,42+,43?,44?,45+,46-,50+/m0/s1","","2002-01-16","2011-06-04","(2R,3R,5R,7S,8S,9R)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(1S)-3-{[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino}-1-methylpropyl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]dec-3-yl dihydrogen phosphate (non-preferred name)",""],["CYV","ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE","C32 H54 N4 O9","O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)CC=C(/C)C)C(C)C)CO;CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC=C(C)C)CC(=O)[CH](NC(=O)[CH](CO)NC(=O)OC(C)(C)C)C(C)C;CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)OC(C)(C)C","InChI=1S/C32H54N4O9/c1-9-44-26(39)13-12-23(16-22-14-15-33-28(22)40)34-29(41)21(11-10-19(2)3)17-25(38)27(20(4)5)36-30(42)24(18-37)35-31(43)45-32(6,7)8/h10,20-24,27,37H,9,11-18H2,1-8H3,(H,33,40)(H,34,41)(H,35,43)(H,36,42)/t21-,22-,23-,24+,27+/m1/s1","","2007-07-18","2011-06-04","ethyl (4R)-4-{[(2R,5S)-5-{[N-(tert-butoxycarbonyl)-L-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3R)-2-oxopyrrolidin-3-yl]pentanoate",""],["JD9","2,6,11-trimethoxy-4,7,9-tris(oxidanyl)-1,12-bis[(2R)-2-oxidanylpropyl]perylene-3,10-dione","C29 H28 O10","COc1cc(O)c2C(=O)C(=C(C[CH](C)O)c3c4C(=C(OC)C(=O)c5c(O)cc(O)c(c1c23)c45)C[CH](C)O)OC;CC(CC1=C(C(=O)c2c(cc(c3c2c1c4c5c3c(cc(c5C(=O)C(=C4CC(C)O)OC)O)OC)O)O)OC)O","InChI=1S/C29H28O10/c1-10(30)6-12-18-19-13(7-11(2)31)29(39-5)27(36)22-16(34)9-17(37-3)23(25(19)22)20-14(32)8-15(33)21(24(18)20)26(35)28(12)38-4/h8-11,30-34H,6-7H2,1-5H3/t10-,11-/m1/s1","","2021-05-20","2022-05-20","2,6,11-trimethoxy-4,7,9-tris(oxidanyl)-1,12-bis[(2~{R})-2-oxidanylpropyl]perylene-3,10-dione","2022-05-25"],["JDA","5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine","C23 H24 N6","CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccnn4)n2;Cc1cnc(nc1NCc2ccc(cc2)n3ccnn3)c4ccccc4C(C)C","InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)","","2022-04-26","2022-10-07","5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine","2022-10-12"],["CYW","S-[(2R)-2-hydroxypropanoyl]-L-cysteine","C6 H11 N O4 S","O=C(SCC(C(=O)O)N)C(O)C;C[CH](O)C(=O)SC[CH](N)C(O)=O;CC(C(=O)SCC(C(=O)O)N)O","InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4+/m1/s1","lactoylglutathione","2011-02-16","2024-09-27","S-[(2R)-2-hydroxypropanoyl]-L-cysteine",""],["JDB","5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cc(OC)ccc2cc3;COc1ccc2ccc(CCC3=C(NC(=O)NC3=O)C(O)=O)cc2c1;COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-13-6-5-11-4-2-10(8-12(11)9-13)3-7-14-15(17(22)23)19-18(24)20-16(14)21/h2,4-6,8-9H,3,7H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-02-27","2014-02-21","5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-02-26"],["CYX","(3-FORMYL-BUT-3-ENYL)-PHOSPHONIC ACID","C5 H9 O4 P","O=CC(=C)CCP(=O)(O)O;O[P](O)(=O)CCC(=C)C=O;C=C(CCP(=O)(O)O)C=O","InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9)","","2002-09-19","2024-09-27","(3-formylbut-3-en-1-yl)phosphonic acid",""],["CYY","2-DEOXYSTREPTAMINE","C6 H14 N2 O3","OC1C(N)CC(N)C(O)C1O;N[CH]1C[CH](N)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1N)O)O)O)N","InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-","","1999-07-08","2011-06-04","(1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol",""],["JDC","(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","C28 H39 N3 O3","O=C(NC(CN2CCC(c1cccc(O)c1)(C(C2)C)C)C(C)C)C4NCc3cc(O)ccc3C4;CC(C)[CH](CN1CC[C](C)([CH](C)C1)c2cccc(O)c2)NC(=O)[CH]3Cc4ccc(O)cc4CN3;CC1CN(CCC1(C)c2cccc(c2)O)CC(C(C)C)NC(=O)C3Cc4ccc(cc4CN3)O","InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1","","2012-02-02","2012-03-16","(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide",""],["CYZ","CYCLOTHIAZIDE","C14 H16 Cl N3 O4 S2","O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N;N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)[CH]3C[CH]4C[CH]3C=C4)cc1Cl;c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C3CC4CC3C=C4","InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1","3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE","2002-04-08","2025-06-09","(3S)-3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",""],["JDD","N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide","C24 H28 N6 O2","CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4;CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4","InChI=1S/C24H28N6O2/c1-25-23(31)18-29(20-10-15-28(16-11-20)22-5-2-3-12-26-22)24(32)17-19-6-8-21(9-7-19)30-14-4-13-27-30/h2-9,12-14,20H,10-11,15-18H2,1H3,(H,25,31)","","2016-03-22","2016-11-25","N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide","2016-11-30"],["JDE","(3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate","C17 H15 N3 O3","COc1cc(COC(=O)c2c[nH]nc2)cc(c1)c3cccnc3;COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3","InChI=1S/C17H15N3O3/c1-22-16-6-12(11-23-17(21)15-9-19-20-10-15)5-14(7-16)13-3-2-4-18-8-13/h2-10H,11H2,1H3,(H,19,20)","","2019-02-19","2019-09-13","(3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate","2019-09-18"],["CZ0","8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one","C14 H9 N O5","[O-][N+](=O)c3c2cc1OC(=O)C=C(c1cc2ccc3O)C;CC1=CC(=O)Oc2cc3c(ccc(O)c3[N+]([O-])=O)cc12;CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O","InChI=1S/C14H9NO5/c1-7-4-13(17)20-12-6-10-8(5-9(7)12)2-3-11(16)14(10)15(18)19/h2-6,16H,1H3","","2010-11-09","2011-10-28","8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one",""],["JDF","steviol-19-o-glucoside","C26 H40 O8","C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](O)(CC[CH]23)C4)C(=O)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O","InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,17(25)6-10-26(14,32)13-25)7-4-8-24(16,3)22(31)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30,32H,1,4-13H2,2-3H3/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1","","2021-05-21","2021-12-03","","2021-12-08"],["CZ2","S-(DIHYDROXYARSINO)CYSTEINE","C3 H8 As N O4 S","O=C(O)C(N)CS[As](O)O;N[CH](CS[As](O)O)C(O)=O;C(C(C(=O)O)N)S[As](O)O","InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1","THIARSA DIHYDROXY CYSTEINE","2004-03-26","2024-09-27","S-(dihydroxyarsanyl)-L-cysteine",""],["JDG","2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine","C31 H49 N5 O2","C1N(CCC1)CCCOc5c(cc2c(N=C(CN=C2NC3CCN(CC3)C(C)C)C4CCCCC4)c5)OC;COc1cc2C(=NCC(=Nc2cc1OCCCN3CCCC3)C4CCCCC4)NC5CCN(CC5)C(C)C;CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5","InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33)","","2018-08-31","2019-02-22","2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine","2019-02-27"],["CZ3","1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole]","C46 H60 N14 O6 S2","O=C(N3C(Cn2nnnc2Sc1ccccc1)CCC3)C(NC(=O)C(NC)C)C(OCC#CC#CCOC(C)C(NC(=O)C(NC)C)C(=O)N4CCCC4Cn6nnnc6Sc5ccccc5)C;CN[CH](C)C(=O)N[CH]([CH](C)OCC#CC#CCO[CH](C)[CH](NC(=O)[CH](C)NC)C(=O)N1CCC[CH]1Cn2nnnc2Sc3ccccc3)C(=O)N4CCC[CH]4Cn5nnnc5Sc6ccccc6;CC(C(C(=O)N1CCCC1Cn2c(nnn2)Sc3ccccc3)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N4CCCC4Cn5c(nnn5)Sc6ccccc6)NC(=O)C(C)NC","InChI=1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33+,34+,35-,36-,39-,40-/m0/s1","","2009-03-04","2011-06-04","1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole]",""],["JDH","5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C25 H27 N7","CN1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2;CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N","InChI=1S/C25H27N7/c1-30-10-12-31(13-11-30)16-18-2-4-19(5-3-18)17-32-9-8-20-6-7-21(14-23(20)32)24-22(15-26)25(27)29-28-24/h2-9,14H,10-13,16-17H2,1H3,(H3,27,28,29)","","2019-02-19","2020-03-13","5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2020-03-18"],["CZ4","5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine","C27 H38 Cl N7 O3 S","c3(Nc2ncc(Cl)c(Nc1c(S(=O)(=O)C(C)C)nn(c1)C)n2)cc(c(cc3OC(C)C)C4CCN(C)CC4)C;CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc3ncc(Cl)c(Nc4cn(C)nc4[S](=O)(=O)C(C)C)n3;Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl","InChI=1S/C27H38ClN7O3S/c1-16(2)38-24-13-20(19-8-10-34(6)11-9-19)18(5)12-22(24)31-27-29-14-21(28)25(32-27)30-23-15-35(7)33-26(23)39(36,37)17(3)4/h12-17,19H,8-11H2,1-7H3,(H2,29,30,31,32)","","2016-03-10","2016-04-29","5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine","2016-05-04"],["JDJ","23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol","C30 H54 O9","CC(CC(C)(c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO)C)(C)C;CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1;CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C30H54O9/c1-29(2,3)26-30(4,5)27-6-8-28(9-7-27)39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h6-9,31H,10-26H2,1-5H3","Anapoe-X-114","2018-09-04","2020-06-17","23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol","2019-07-10"],["CZ5","6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide","C17 H17 N7 O2","CCNC(=O)Nc1cc(n2cccn2)c(cn1)C(=O)Nc3cccnc3;CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3","InChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26)","","2017-12-13","2019-06-21","6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide","2019-06-26"],["CZ6","2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid","C16 H25 B N4 O6 S","C[CH]1CC(C)(C)OB(CNC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)O1;B1(OC(CC(O1)(C)C)C)CNC(=O)C(=NOC(C)(C)C(=O)O)c2csc(n2)N","InChI=1S/C16H25BN4O6S/c1-9-6-15(2,3)26-17(25-9)8-19-12(22)11(10-7-28-14(18)20-10)21-27-16(4,5)13(23)24/h7,9H,6,8H2,1-5H3,(H2,18,20)(H,19,22)(H,23,24)/b21-11-/t9-/m0/s1","","2010-04-20","2020-02-13","2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid",""],["JDK","3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","C24 H27 N5","Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCCC5)cc4)c3c2;c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5","InChI=1S/C24H27N5/c25-24-15-22(26-27-24)21-9-8-20-10-13-29(23(20)14-21)17-19-6-4-18(5-7-19)16-28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16-17H2,(H3,25,26,27)","","2019-02-19","2019-09-13","3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","2019-09-18"],["CZ7","({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid","C16 H19 B N4 O7","O=C2C(=O)N(C=CN2C(=O)NC(c1ccc(O)cc1)C(=O)NCB(O)O)CC;CCN1C=CN(C(=O)N[CH](C(=O)NCB(O)O)c2ccc(O)cc2)C(=O)C1=O;B(CNC(=O)C(c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O","InChI=1S/C16H19BN4O7/c1-2-20-7-8-21(15(25)14(20)24)16(26)19-12(13(23)18-9-17(27)28)10-3-5-11(22)6-4-10/h3-8,12,22,27-28H,2,9H2,1H3,(H,18,23)(H,19,26)/t12-/m1/s1","","2010-04-20","2024-09-27","({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid",""],["JDL","6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine","C11 H12 F N3","CN1Cc2cc(F)cc3CCN(C1=N)c23;CN1Cc2cc(cc3c2N(C1=N)CC3)F","InChI=1S/C11H12FN3/c1-14-6-8-5-9(12)4-7-2-3-15(10(7)8)11(14)13/h4-5,13H,2-3,6H2,1H3/b13-11-","","2021-05-21","2022-05-13","6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine","2022-05-18"],["CZ8","({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid","C18 H25 B N4 O7","O=C(NCB(O)O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)CCc2ccc(O)cc2;CCN1CCN(C(=O)N[CH](CCc2ccc(O)cc2)C(=O)NCB(O)O)C(=O)C1=O;B(CNC(=O)C(CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O","InChI=1S/C18H25BN4O7/c1-2-22-9-10-23(17(27)16(22)26)18(28)21-14(15(25)20-11-19(29)30)8-5-12-3-6-13(24)7-4-12/h3-4,6-7,14,24,29-30H,2,5,8-11H2,1H3,(H,20,25)(H,21,28)/t14-/m1/s1","","2010-07-30","2024-09-27","({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid",""],["JDM","5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H14 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2CO;OCc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O;c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO","InChI=1S/C14H14N2O5/c17-7-9-4-2-1-3-8(9)5-6-10-11(13(19)20)15-14(21)16-12(10)18/h1-4,17H,5-7H2,(H,19,20)(H2,15,16,18,21)","","2013-02-27","2014-02-21","5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-02-26"],["JDN","1~{H}-indol-5-ylboronic acid","C8 H8 B N O2","OB(O)c1ccc2[nH]ccc2c1;B(c1ccc2c(c1)cc[nH]2)(O)O","InChI=1S/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H","","2019-02-19","2019-09-13","1~{H}-indol-5-ylboronic acid","2019-09-18"],["CZ9","N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide","C17 H23 B N4 O7","O=C(NCB(O)O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)Cc2ccc(O)cc2;CCN1CCN(C(=O)N[CH](Cc2ccc(O)cc2)C(=O)NCB(O)O)C(=O)C1=O;B(CNC(=O)C(Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O","InChI=1S/C17H23BN4O7/c1-2-21-7-8-22(16(26)15(21)25)17(27)20-13(14(24)19-10-18(28)29)9-11-3-5-12(23)6-4-11/h3-6,13,23,28-29H,2,7-10H2,1H3,(H,19,24)(H,20,27)/t13-/m1/s1","","2010-07-30","2024-09-27","N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide",""],["JDO","rebaudioside D","C50 H80 O28","C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C(=O)O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O","InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1","","2021-05-21","2021-12-03","","2021-12-08"],["CZA","(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE","C20 H20 N2 O3","O=C4C(C(=O)C)=C(O)N5C(C3Cc2c1c(cnc1ccc2)C3C45)(C)C;CC(=O)C1=C(O)N2[CH]([CH]3[CH](Cc4cccc5[nH]cc3c45)C2(C)C)C1=O;CC(=O)C1=C(N2C(C1=O)C3c4c[nH]c5c4c(ccc5)CC3C2(C)C)O","InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,25H,7H2,1-3H3/t12-,16+,17+/m1/s1","","2006-12-20","2011-06-04","(6aR,11aS,11bR)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one",""],["JDP","1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide","C24 H23 N5 O2","c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4c3COCC4)c5;Cc1cc2c(cccc2C(N)=O)n1c3nc4CCOCc4c(NCc5ccccc5)n3;Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N","InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)","CB-5083","2018-09-04","2025-06-04","1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide","2019-01-23"],["CZB","(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE","C26 H22 Br N3 O4","Brc1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O;OO[C]1(Cc2ccc(Br)cc2)N=C3[CH](Cc4ccccc4)NC(=CN3C1=O)c5ccc(O)cc5;c1ccc(cc1)CC2C3=NC(C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO","InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26-/m0/s1","BR-COELENETERAZINE","2003-07-07","2020-06-17","(2S,8S)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one",""],["JDQ","3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine","C18 H16 N4","Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4)c3c2;c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N","InChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21)","","2019-02-19","2019-09-13","3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine","2019-09-18"],["CZC","[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","C10 H14 N4 O12 P2","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O","InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1","xanthosine diphosphate","2019-05-24","2022-03-25","[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate","2022-03-30"],["CZD","(8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide","C47 H61 N11 O7","c1(ncc(c(n1)C)C(NC(CCN)C(N(C)C4c2cc(c(cc2)OCCN)c3c(ccc(c3)CC(NC(C(C)NC4=O)=O)C(=O)NCC=N)OCCN)=O)=O)c5ccc(C(C)(C)C)cc5;C[CH]1NC(=O)[CH](N(C)C(=O)[CH](CCN)NC(=O)c2cnc(nc2C)c3ccc(cc3)C(C)(C)C)c4ccc(OCCN)c(c4)c5cc(C[CH](NC1=O)C(=O)NCC=N)ccc5OCCN;Cc1c(cnc(n1)c2ccc(cc2)C(C)(C)C)C(=O)NC(CCN)C(=O)N(C)C3c4ccc(c(c4)-c5cc(ccc5OCCN)CC(NC(=O)C(NC3=O)C)C(=O)NCC=N)OCCN","InChI=1S/C47H61N11O7/c1-27-35(26-53-41(54-27)30-8-11-32(12-9-30)47(3,4)5)43(60)56-36(15-16-48)46(63)58(6)40-31-10-14-39(65-22-19-51)34(25-31)33-23-29(7-13-38(33)64-21-18-50)24-37(44(61)52-20-17-49)57-42(59)28(2)55-45(40)62/h7-14,17,23,25-26,28,36-37,40,49H,15-16,18-22,24,48,50-51H2,1-6H3,(H,52,61)(H,55,62)(H,56,60)(H,57,59)/b49-17-/t28-,36-,37-,40-/m0/s1","","2017-10-06","2024-09-27","(8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide","2018-10-10"],["JDR","4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide","C13 H13 Cl N4 O3 S2","O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O;CSc1nc(Cl)c(C=O)c(NCc2ccc(cc2)[S](N)(=O)=O)n1;CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N","InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18)","4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide","2010-03-29","2020-06-17","4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide",""],["CZE","(2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid","C21 H25 Cl N2 O3","OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl;OC(=O)COCCN1CCN(CC1)[CH](c2ccccc2)c3ccc(Cl)cc3;c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O","InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1","(S)-dextrocetirizine","2015-09-16","2021-03-01","(2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid","2015-12-23"],["JDS","6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol","C23 H25 Cl N4 O2","ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccc(Cl)cc24)ccc1O;c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)C=NO)O","InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14-","","2018-03-28","2018-08-24","6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol","2018-08-29"],["JDT","2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)","C11 H17 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)CC)CC2O;CCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CCC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H17N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1","","2011-04-01","2011-06-04","2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)",""],["CZF","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H15 N4 O15 P3","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O","InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1","xanthosine triphosphate","2019-05-24","2022-03-28","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2020-06-24"],["JDU","1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide","C22 H19 N5 O3","O=C(Nc1cncnc1)C1=CC=CN(CCc2nc(oc2C)c2ccccc2)C1=O;Cc1oc(nc1CCN2C=CC=C(C(=O)Nc3cncnc3)C2=O)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCN3C=CC=C(C3=O)C(=O)Nc4cncnc4","InChI=1S/C22H19N5O3/c1-15-19(26-21(30-15)16-6-3-2-4-7-16)9-11-27-10-5-8-18(22(27)29)20(28)25-17-12-23-14-24-13-17/h2-8,10,12-14H,9,11H2,1H3,(H,25,28)","","2022-02-01","2022-10-07","1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide","2022-10-12"],["CZG","2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide","C21 H16 N4 O4 S","c4(ccc3nc(SCC(Nc1ccc(cc1)Oc2ccccc2)=O)nc3c4)[N+]([O-])=O;[O-][N+](=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1;c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]","InChI=1S/C21H16N4O4S/c26-20(13-30-21-23-18-11-8-15(25(27)28)12-19(18)24-21)22-14-6-9-17(10-7-14)29-16-4-2-1-3-5-16/h1-12H,13H2,(H,22,26)(H,23,24)","","2017-10-06","2018-01-26","2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide","2018-01-31"],["JDV","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate","C33 H41 F N4 O7 S2","C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7ccc(F)cc7)=O;CC(C)CN(C[CH](O)[CH](Cc1ccc(F)cc1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-9-10-26-29(13-23)46-32(36-26)35-22-7-8-22)15-28(39)27(11-19-3-5-21(34)6-4-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-6,9-10,13,18,20,22,24-25,27-28,30-31,39H,7-8,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1","","2018-09-05","2019-04-19","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate","2019-04-24"],["CZH","C2-HYDROPEROXY-COELENTERAZINE","C26 H21 N3 O5","O=C1N3C=C(N=C(C3=NC1(OO)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5;OO[C]1(Cc2ccc(O)cc2)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C1=O;c1ccc(cc1)CC2=NC(=CN3C2=NC(C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O","InChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1","8-BENZYL-2-HYDROPEROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE","2000-03-07","2020-06-17","(2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one",""],["CZI","(2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE","C26 H22 I N3 O4","Ic1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O;OO[C]1(Cc2ccc(I)cc2)N=C3[CH](Cc4ccccc4)NC(=CN3C1=O)c5ccc(O)cc5;c1ccc(cc1)CC2C3=NC(C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO","InChI=1S/C26H22IN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26+/m1/s1","I-COELENETERAZINE","2003-07-07","2021-03-01","(2S,8R)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one",""],["JDW","1-ethyl-2-[(1-ethylquinolin-2-yl)methyl]quinoline","C23 H24 N2","CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc4ccccc14;CC[n+]1c(ccc2c1cccc2)Cc3ccc4ccccc4[n+]3CC","InChI=1S/C23H24N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-16H,3-4,17H2,1-2H3/q+2","","2022-04-26","2022-11-04","1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methyl]quinolin-1-ium","2022-11-09"],["JDX","2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid","C26 H28 N2 O5","O=C(NCc1ccc(OC)cc1)c2ccccc2CN(C)Cc3cccc(OC)c3C(=O)O;COc1ccc(CNC(=O)c2ccccc2CN(C)Cc3cccc(OC)c3C(O)=O)cc1;CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC","InChI=1S/C26H28N2O5/c1-28(17-20-8-6-10-23(33-3)24(20)26(30)31)16-19-7-4-5-9-22(19)25(29)27-15-18-11-13-21(32-2)14-12-18/h4-14H,15-17H2,1-3H3,(H,27,29)(H,30,31)","","2013-12-07","2014-09-05","2-methoxy-6-{[{2-[(4-methoxybenzyl)carbamoyl]benzyl}(methyl)amino]methyl}benzoic acid","2014-01-08"],["CZJ","(3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben\nzopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide","C30 H38 N2 O10","c6c(OC1C(C(C(C(C)(C)O1)OC)OC(=O)N)O)c(c2c(C(=C(C(O2)=O)NC(C35CC4CC(C3)CC(C4)C5)=O)O)c6)C;CO[CH]1[CH](OC(N)=O)[CH](O)[CH](Oc2ccc3C(=C(NC(=O)C45CC6CC(CC(C6)C4)C5)C(=O)Oc3c2C)O)OC1(C)C;Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)OC6C(C(C(C(O6)(C)C)OC)OC(=O)N)O","InChI=1S/C30H38N2O10/c1-13-18(39-26-21(34)23(41-28(31)37)24(38-4)29(2,3)42-26)6-5-17-20(33)19(25(35)40-22(13)17)32-27(36)30-10-14-7-15(11-30)9-16(8-14)12-30/h5-6,14-16,21,23-24,26,33-34H,7-12H2,1-4H3,(H2,31,37)(H,32,36)/t14-,15+,16-,21-,23+,24-,26-,30-/m1/s1","novobiocin derivative","2017-10-09","2020-06-17","(3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide","2017-12-06"],["JDY","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate","C33 H41 F N4 O7 S2","C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7cccc(c7)F)=O;CC(C)CN(C[CH](O)[CH](Cc1cccc(F)c1)NC(=O)O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O)c5ccc6nc(NC7CC7)sc6c5;CC(C)CN(CC(C(Cc1cccc(c1)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7","InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)46-32(36-26)35-22-6-7-22)15-28(39)27(11-19-4-3-5-21(34)10-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-5,8-10,13,18,20,22,24-25,27-28,30-31,39H,6-7,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1","","2018-09-05","2019-04-19","(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate","2019-04-24"],["CZK","(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol","C22 H31 N3 O4","COc1ccc(cc1OC2CCCC2)c3ccn(C[CH](O)CN4CCOCC4)n3;COc1ccc(cc1OC2CCCC2)c3ccn(n3)CC(CN4CCOCC4)O","InChI=1S/C22H31N3O4/c1-27-21-7-6-17(14-22(21)29-19-4-2-3-5-19)20-8-9-25(23-20)16-18(26)15-24-10-12-28-13-11-24/h6-9,14,18-19,26H,2-5,10-13,15-16H2,1H3/t18-/m0/s1","","2017-12-13","2018-05-11","(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol","2018-05-16"],["CZL","L-Cluster (Fe8S9)","Fe8 H6 S9","S1[Fe]|23|4|5[SH]6[Fe]|78|2[SH]3[Fe]9%10|4S[Fe]|%11|%12%13%14[SH]%15[Fe]1%16|5|%11[SH]%17[Fe]|%18|%12%16(S[Fe]6|79|%18[SH]8%10)[SH]%13[Fe]%14%15%17;S1[Fe]234S5[Fe]2678[Fe]592S3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)S1[Fe]5(S63)S24","InChI=1S/8Fe.6HS.3S/h;;;;;;;;6*1H;;;","","2010-11-10","2011-06-04","",""],["JE0","(5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one","C14 H14 Cl N3 O2","CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(Cl)c23;CC(c1c[nH]c2c1c(ccc2)Cl)C3C(=O)N=C(O3)NC","InChI=1S/C14H14ClN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1","","2021-05-21","2022-02-11","(5~{S})-5-[(1~{R})-1-(4-chloranyl-1~{H}-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one","2022-02-16"],["JE1","2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one","C17 H20 F3 N5 O S","C2(C(Sc1c(C(F)(F)F)nccc1)=CN=C(N2)N3CCC(CN)(C)CC3)=O;CC1(CN)CCN(CC1)C2=NC=C(Sc3cccnc3C(F)(F)F)C(=O)N2;CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN","InChI=1S/C17H20F3N5OS/c1-16(10-21)4-7-25(8-5-16)15-23-9-12(14(26)24-15)27-11-3-2-6-22-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H,23,24,26)","","2018-09-05","2019-02-08","2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one","2019-02-13"],["CZM","'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'","C22 H20 N2 O2","Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C;Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O;Cc1cccc(c1O)C=Nc2ccccc2N=Cc3cccc(c3O)C","InChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+","3,3'-ME2-SALOPHEN","2003-01-30","2021-03-13","2,2'-{benzene-1,2-diylbis[nitrilo(E)methylylidene]}bis(6-methylphenol)",""],["JE2","(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide","C32 H37 N3 O5 S","O=C(NCc1ccccc1C)C4N(C(=O)C(O)C(NC(=O)c2cccc(O)c2C)Cc3ccccc3)CSC4(C)C;Cc1ccccc1CNC(=O)[CH]2N(CSC2(C)C)C(=O)[CH](O)[CH](Cc3ccccc3)NC(=O)c4cccc(O)c4C;Cc1ccccc1CNC(=O)C2C(SCN2C(=O)C(C(Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C","InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1","JE-2147; AG1776; KNI-764","2002-02-18","2020-05-27","(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide",""],["CZN","(2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE","C30 H25 N3 O4","O=C1N4C=C(NC(C4=NC1(OO)Cc3cc2ccccc2cc3)Cc5ccccc5)c6ccc(O)cc6;OO[C]1(Cc2ccc3ccccc3c2)N=C4[CH](Cc5ccccc5)NC(=CN4C1=O)c6ccc(O)cc6;c1ccc(cc1)CC2C3=NC(C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO","InChI=1S/C30H25N3O4/c34-25-14-12-23(13-15-25)27-19-33-28(26(31-27)17-20-6-2-1-3-7-20)32-30(37-36,29(33)35)18-21-10-11-22-8-4-5-9-24(22)16-21/h1-16,19,26,31,34,36H,17-18H2/t26-,30-/m0/s1","N-COELENETERAZINE","2003-07-07","2021-03-01","(2S,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one",""],["JE3","(5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one","C14 H14 F N3 O2","CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(F)c23;CC(c1c[nH]c2c1c(ccc2)F)C3C(=O)N=C(O3)NC","InChI=1S/C14H14FN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1","","2021-05-21","2022-02-11","(5~{S})-5-[(1~{R})-1-(4-fluoranyl-1~{H}-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one","2022-02-16"],["CZO","[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid","C15 H21 N3 O6","O=C1N(CC(=O)O)C(O)(NC1Cc2ccc(O)cc2)C(N)C(O)C;C[CH](O)[CH](N)[C]1(O)N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C(C1(NC(C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O","InChI=1S/C15H21N3O6/c1-8(19)13(16)15(24)17-11(14(23)18(15)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13,17,19-20,24H,6-7,16H2,1H3,(H,21,22)/t8-,11+,13+,15-/m1/s1","","2008-12-17","2024-09-27","[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid",""],["JE4","6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C18 H20 Cl2 N6 O","c13c(nnc1c2c(c(Cl)ccc2)Cl)N=C(N(C3=O)C)N4CCC(C)(CC4)N;CN1C(=O)c2c([nH]nc2c3cccc(Cl)c3Cl)N=C1N4CCC(C)(N)CC4;CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N","InChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)17-22-15-12(16(27)25(17)2)14(23-24-15)10-4-3-5-11(19)13(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24)","","2018-09-05","2019-02-08","6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2019-02-13"],["CZP","(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)\n-ONE","C25 H27 N3 O5","O=C1N3C=C(NC(C3=NC1(OO)Cc2ccc(O)cc2)CC4CCCC4)c5ccc(O)cc5;OO[C]1(Cc2ccc(O)cc2)N=C3[CH](CC4CCCC4)NC(=CN3C1=O)c5ccc(O)cc5;c1cc(ccc1CC2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O","InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1","CP-COELENETERAZINE","2003-07-07","2020-06-17","(2S,8S)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one",""],["JE5","8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide","C32 H40 F N6 O9 S","Fc1cc(N[S](=O)(=O)c2ccc(cc2)C(=O)NCCOCCOCCOCCN=[N+]=N)c3OC(=CC(=O)c3c1)C(=O)NCC4CCCCC4;c1cc(ccc1C(=O)NCCOCCOCCOCCN=[N+]=N)S(=O)(=O)Nc2cc(cc3c2OC(=CC3=O)C(=O)NCC4CCCCC4)F","InChI=1S/C32H39FN6O9S/c33-24-18-26-28(40)20-29(32(42)36-21-22-4-2-1-3-5-22)48-30(26)27(19-24)38-49(43,44)25-8-6-23(7-9-25)31(41)35-10-12-45-14-16-47-17-15-46-13-11-37-39-34/h6-9,18-20,22,34,38H,1-5,10-17,21H2,(H-,35,36,41,42)/p+1","","2022-04-26","2022-09-02","azanylidene-[2-[2-[2-[2-[[4-[[2-(cyclohexylmethylcarbamoyl)-6-fluoranyl-4-oxidanylidene-chromen-8-yl]sulfamoyl]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]ethylimino]azanium","2022-09-07"],["CZQ","2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone","C21 H28 F2 N2 O5","C[CH]1CN(C[CH](C)O1)C(=O)CON=Cc2ccc(OC(F)F)c(OC3CCCC3)c2;CC1CN(CC(O1)C)C(=O)CON=Cc2ccc(c(c2)OC3CCCC3)OC(F)F","InChI=1S/C21H28F2N2O5/c1-14-11-25(12-15(2)28-14)20(26)13-27-24-10-16-7-8-18(30-21(22)23)19(9-16)29-17-5-3-4-6-17/h7-10,14-15,17,21H,3-6,11-13H2,1-2H3/b24-10+/t14-,15-/m1/s1","","2017-12-13","2018-05-11","2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone","2018-05-16"],["JE6","~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide","C22 H22 N4 O2","Cc1cc(cc(NC(=O)Cc2ccccc2)n1)N3CC[C](C#N)(C4CC4)C3=O;Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CCC(C3=O)(C#N)C4CC4","InChI=1S/C22H22N4O2/c1-15-11-18(26-10-9-22(14-23,21(26)28)17-7-8-17)13-19(24-15)25-20(27)12-16-5-3-2-4-6-16/h2-6,11,13,17H,7-10,12H2,1H3,(H,24,25,27)/t22-/m1/s1","","2021-05-24","2022-03-04","~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide","2022-03-09"],["CZS","3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine","C10 H9 Cl N2 O2 S","NC(Cc2sc1cc(Cl)ccc1n2)C(=O)O;N[CH](Cc1sc2cc(Cl)ccc2n1)C(O)=O;c1cc2c(cc1Cl)sc(n2)CC(C(=O)O)N","InChI=1S/C10H9ClN2O2S/c11-5-1-2-7-8(3-5)16-9(13-7)4-6(12)10(14)15/h1-3,6H,4,12H2,(H,14,15)/t6-/m0/s1","","2017-10-09","2024-09-27","3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine","2018-02-28"],["JE7","5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine","C12 H8 Cl2 N4 S","c12nc(ccc1nc(n2)N)Sc3c(Cl)c(Cl)ccc3;Nc1[nH]c2nc(Sc3cccc(Cl)c3Cl)ccc2n1;c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N","InChI=1S/C12H8Cl2N4S/c13-6-2-1-3-8(10(6)14)19-9-5-4-7-11(17-9)18-12(15)16-7/h1-5H,(H3,15,16,17,18)","","2018-09-05","2019-02-08","5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine","2019-02-13"],["CZT","(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol","C22 H34 N2 O5","COc1ccc(C=NOC[CH](O)CN2C[CH](C)O[CH](C)C2)cc1OC3CCCC3;CC1CN(CC(O1)C)CC(CON=Cc2ccc(c(c2)OC3CCCC3)OC)O","InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+/t16-,17+,19-/m1/s1","","2017-12-13","2018-05-11","(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol","2018-05-16"],["CZU","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H15 N4 O14 P3","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O","InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","Inosine-5'-triphosphate","2019-05-24","2022-03-25","[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2022-03-30"],["JE8","5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C19 H22 N6","CN1CCC[CH](C1)Cn2ccc3ccc(cc23)c4n[nH]c(N)c4C#N;CN1CCCC(C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N","InChI=1S/C19H22N6/c1-24-7-2-3-13(11-24)12-25-8-6-14-4-5-15(9-17(14)25)18-16(10-20)19(21)23-22-18/h4-6,8-9,13H,2-3,7,11-12H2,1H3,(H3,21,22,23)/t13-/m0/s1","","2019-02-19","2019-09-13","5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["JE9","3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate","C27 H26 F N5 O5","CN(C)C(=O)Oc1ccn2c(cc(C(=O)Nc3cc(CO)cc(c3F)c4cnn(c4)C5CC5)c2c1)C(C)=O;CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO","InChI=1S/C27H26FN5O5/c1-15(35)23-11-21(24-10-19(6-7-32(23)24)38-27(37)31(2)3)26(36)30-22-9-16(14-34)8-20(25(22)28)17-12-29-33(13-17)18-4-5-18/h6-13,18,34H,4-5,14H2,1-3H3,(H,30,36)","","2021-05-26","2022-02-11","[1-[[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-(hydroxymethyl)phenyl]carbamoyl]-3-ethanoyl-indolizin-7-yl] ~{N},~{N}-dimethylcarbamate","2022-02-16"],["CZV","6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C15 H11 Cl F3 N5","c21cnnc1nc(Cl)nc2NC4(c3ccc(cc3)C(F)(F)F)CC4;FC(F)(F)c1ccc(cc1)C2(CC2)Nc3nc(Cl)nc4[nH]ncc34;c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F","InChI=1S/C15H11ClF3N5/c16-13-21-11(10-7-20-24-12(10)22-13)23-14(5-6-14)8-1-3-9(4-2-8)15(17,18)19/h1-4,7H,5-6H2,(H2,20,21,22,23,24)","","2017-10-10","2017-11-17","6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-11-22"],["CZX","4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole","C13 H16 N2","C[CH](c1c[nH]cn1)c2cccc(C)c2C;Cc1cccc(c1C)C(C)c2c[nH]cn2","InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1","","2019-05-24","2020-04-10","4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole","2020-04-15"],["JEA","6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C23 H29 Cl N8 O2","c12nnc(c1C(=O)N(C)C(=N2)N4CCC3(C(C(OC3)C)N)CC4)c5ccnc(c5Cl)NC6CC6;C[CH]1OCC2(CCN(CC2)C3=Nc4n[nH]c(c5ccnc(NC6CC6)c5Cl)c4C(=O)N3C)[CH]1N;CC1C(C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N","InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1","","2018-09-05","2019-02-08","6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","2019-02-13"],["CZY","6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C15 H13 Cl F3 N5","c21cnn(c1nc(Cl)nc2NC(c3ccc(cc3)C(F)(F)F)C)C;C[CH](Nc1nc(Cl)nc2n(C)ncc12)c3ccc(cc3)C(F)(F)F;CC(c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C","InChI=1S/C15H13ClF3N5/c1-8(9-3-5-10(6-4-9)15(17,18)19)21-12-11-7-20-24(2)13(11)23-14(16)22-12/h3-8H,1-2H3,(H,21,22,23)/t8-/m1/s1","","2017-10-10","2017-11-17","6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-11-22"],["JEB","5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C18 H14 N6","Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4)c3c2)c1C#N;c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N","InChI=1S/C18H14N6/c19-9-15-17(22-23-18(15)20)14-4-3-13-5-7-24(16(13)8-14)11-12-2-1-6-21-10-12/h1-8,10H,11H2,(H3,20,22,23)","","2019-02-19","2019-09-13","5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["JEC","4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid","C25 H21 Br N2 O3","OC(=O)CCCOc1ccccc1c2cc(n(n2)c3ccc(Br)cc3)c4ccccc4;c1ccc(cc1)c2cc(nn2c3ccc(cc3)Br)c4ccccc4OCCCC(=O)O","InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)","","2021-05-26","2022-05-20","4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid","2022-05-25"],["CZZ","THIARSAHYDROXY-CYSTEINE","C3 H7 As N O3 S","O=C(O)C(N)CS[AsH]O;N[CH](CS[As]O)C(O)=O;C(C(C(=O)O)N)S[As]O","InChI=1S/C3H8AsNO3S/c5-2(3(6)7)1-9-4-8/h2,4,8H,1,5H2,(H,6,7)/t2-/m0/s1","","2001-06-14","2024-09-27","S-(hydroxyarsanyl)-L-cysteine",""],["JED","3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","C20 H14 Br N3 O2","c13c(nnc1c2ccc(Br)cc2)nc(cc3C(O)=O)c4ccc(C)cc4;Cc1ccc(cc1)c2cc(C(O)=O)c3c([nH]nc3c4ccc(Br)cc4)n2;Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O","InChI=1S/C20H14BrN3O2/c1-11-2-4-12(5-3-11)16-10-15(20(25)26)17-18(23-24-19(17)22-16)13-6-8-14(21)9-7-13/h2-10H,1H3,(H,25,26)(H,22,23,24)","","2018-09-05","2019-02-08","3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","2019-02-13"],["D00","2'-deoxy-N-ethylcytidine 5'-(dihydrogen phosphate)","C11 H18 N3 O7 P","O=P(O)(O)OCC2OC(N1C(=O)N=C(NCC)C=C1)CC2O;CCNC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;CCNC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C11H18N3O7P/c1-2-12-9-3-4-14(11(16)13-9)10-5-7(15)8(21-10)6-20-22(17,18)19/h3-4,7-8,10,15H,2,5-6H2,1H3,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1","","2014-06-06","2014-06-20","2'-deoxy-N-ethylcytidine 5'-(dihydrogen phosphate)","2014-06-25"],["JEE","5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C24 H24 N6 O","Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCOCC5)cc4)c3c2)c1C#N;c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5","InChI=1S/C24H24N6O/c25-14-21-23(27-28-24(21)26)20-6-5-19-7-8-30(22(19)13-20)16-18-3-1-17(2-4-18)15-29-9-11-31-12-10-29/h1-8,13H,9-12,15-16H2,(H3,26,27,28)","","2019-02-19","2019-09-13","5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["D01","2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE","C20 H17 Cl N4 O4 S2","Clc1cc2cc(nc2cc1)S(=O)(=O)N5CCN(C(=O)c4sc3ccc[n+]([O-])c3c4)CC5;[O-][n+]1cccc2sc(cc12)C(=O)N3CCN(CC3)[S](=O)(=O)c4[nH]c5ccc(Cl)cc5c4;c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-]","InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2","2-[[4-[(5-CHLOROINDOL-2-YL)SULFONYL]PIPERAZIN-1-YL] CARBONYL]THIENO[3,2-B]PYRIDINE N-OXIDE","2005-08-26","2020-06-17","2-({4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide",""],["JEF","O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)","C30 H63 N O10","O(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(N)C)CC(OCCOC)C;COCCOC(C)COC(C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)COCC(C)N;CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOC)N","InChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22?,23-,24?,25-,26?,27+,28-,29+,30?/m1/s1","JEFFAMINE","2003-02-27","2020-06-17","(9S,12R,15R,18S,21S,24R,27R)-6,9,12,15,18,21,24,27-octamethyl-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-amine",""],["D02","methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate","C10 H6 F4 N4 O4 S","O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C(=O)OC)N;COC(=O)c1cn(nn1)c2c(F)c(F)c(c(F)c2F)[S](N)(=O)=O;COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F","InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21)","","2010-10-05","2011-10-14","methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate",""],["JEG","trans-1-aminocyclobutane-1,3-dicarboxylic acid","C6 H9 N O4","O=C(O)C1CC(C(=O)O)(N)C1;N[C]1(C[CH](C1)C(O)=O)C(O)=O;C1C(CC1(C(=O)O)N)C(=O)O","InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-","","2014-06-12","2014-09-05","trans-1-aminocyclobutane-1,3-dicarboxylic acid","2014-07-02"],["D03","(S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide","C33 H36 N4 O5","O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3)C(=O)NCc4ccccc4;c1ccc(cc1)CC(C(=O)NC(CC2CCNC2=O)C(C(=O)NCc3ccccc3)O)NC(=O)C=Cc4ccccc4","InChI=1S/C33H36N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1-17,26-28,30,39H,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-,30-/m0/s1","","2017-02-06","2024-09-27","(2~{S},3~{S})-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)-3-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]butanamide","2018-02-28"],["D04","4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide","C14 H14 F4 N4 O2 S","O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C3CCCCC3)N;N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F;c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3","InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)","","2010-10-05","2011-10-14","4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide",""],["JEH","5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C27 H31 N7","CC(C)N1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2;CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N","InChI=1S/C27H31N7/c1-19(2)33-13-11-32(12-14-33)17-20-3-5-21(6-4-20)18-34-10-9-22-7-8-23(15-25(22)34)26-24(16-28)27(29)31-30-26/h3-10,15,19H,11-14,17-18H2,1-2H3,(H3,29,30,31)","","2019-02-19","2019-09-13","5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["D05","6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE","C20 H15 Cl3 N4 O3","Clc1cc(Cl)cc(Cl)c1n4nc(c2c4N=C(NC2=O)Cc3ccc(O)c(O)c3)CC;CCc1nn(c2N=C(Cc3ccc(O)c(O)c3)NC(=O)c12)c4c(Cl)cc(Cl)cc4Cl;CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O","InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)","DIN-232305","2005-09-28","2021-03-01","6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",""],["JEI","(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid","C15 H24 N6 O9 P2","O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](COCC[P](O)(O)=O)N(C3)C(=O)CC[P](O)(O)=O;c1nc2c(n1C3CC(N(C3)C(=O)CCP(=O)(O)O)COCCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1","","2023-08-07","2024-05-03","(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid","2024-05-08"],["D06","(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one","C20 H29 N3 O","O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1;N[CH]([CH]1CC[CH](CC1)N2CCCC2)C(=O)N3Cc4ccccc4C3;c1ccc2c(c1)CN(C2)C(=O)C(C3CCC(CC3)N4CCCC4)N","InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1","","2021-11-23","2022-09-30","(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one","2022-10-05"],["JEJ","3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one","C22 H20 Cl N3 O2","c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C)C)N(C)C4=O;CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C;CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C","InChI=1S/C22H20ClN3O2/c1-25(2)13-14-8-10-15(11-9-14)18-12-19-20(22(27)26(18)3)21(24-28-19)16-6-4-5-7-17(16)23/h4-12H,13H2,1-3H3","","2018-09-05","2019-02-08","3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one","2019-02-13"],["JEK","5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C25 H26 N6","Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCCC5)cc4)c3c2)c1C#N;c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5","InChI=1S/C25H26N6/c26-15-22-24(28-29-25(22)27)21-9-8-20-10-13-31(23(20)14-21)17-19-6-4-18(5-7-19)16-30-11-2-1-3-12-30/h4-10,13-14H,1-3,11-12,16-17H2,(H3,27,28,29)","","2019-02-19","2019-09-13","5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["D07","6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C7 H8 Cl N5","Cn1c2nc(Cl)nc(NC)c2cn1;CNc1nc(Cl)nc2n(C)ncc12;CNc1c2cnn(c2nc(n1)Cl)C","InChI=1S/C7H8ClN5/c1-9-5-4-3-10-13(2)6(4)12-7(8)11-5/h3H,1-2H3,(H,9,11,12)","","2017-10-10","2017-11-17","6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2017-11-22"],["JEL","N-[[3-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine","C25 H19 N3 O3","C1Oc2ccc(Oc3cccc(CNc4cc5c([nH]c6ccccc56)cn4)c3)cc2O1;c1ccc2c(c1)c3cc(ncc3[nH]2)NCc4cccc(c4)Oc5ccc6c(c5)OCO6","InChI=1S/C25H19N3O3/c1-2-7-21-19(6-1)20-12-25(27-14-22(20)28-21)26-13-16-4-3-5-17(10-16)31-18-8-9-23-24(11-18)30-15-29-23/h1-12,14,28H,13,15H2,(H,26,27)","","2021-05-27","2022-05-27","~{N}-[[3-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-9~{H}-pyrido[3,4-b]indol-3-amine","2022-06-01"],["D08","2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide","C21 H30 N2 O6","COc1ccc(cc1OC2CCCC2)C3=NO[CH](CC(=O)N(CCO)CCO)C3;COc1ccc(cc1OC2CCCC2)C3=NOC(C3)CC(=O)N(CCO)CCO","InChI=1S/C21H30N2O6/c1-27-19-7-6-15(12-20(19)28-16-4-2-3-5-16)18-13-17(29-22-18)14-21(26)23(8-10-24)9-11-25/h6-7,12,16-17,24-25H,2-5,8-11,13-14H2,1H3/t17-/m1/s1","","2017-12-13","2018-05-11","2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide","2018-05-16"],["JEN","3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE","C16 H20 N4 O","n1nc(ccc1OC)N3CCN(c2cc(ccc2)C)CC3;COc1ccc(nn1)N2CCN(CC2)c3cccc(C)c3;Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC","InChI=1S/C16H20N4O/c1-13-4-3-5-14(12-13)19-8-10-20(11-9-19)15-6-7-16(21-2)18-17-15/h3-7,12H,8-11H2,1-2H3","","1999-07-08","2011-06-04","3-methoxy-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine",""],["D09","5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine","C16 H16 N4 O2","n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)C)N;COc1ccccc1C(C)=Cc2coc3nc(N)nc(N)c23;CC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC","InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+","","2008-08-08","2011-06-04","5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine",""],["JEO","(3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione","C21 H32 N2 O3","C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN;CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C","InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15-,16-,17-,20+,21-/m0/s1","","2021-05-27","2021-07-02","(3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione","2021-07-07"],["D0A","N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C17 H10 F4 N6","c1c(c(F)cnc1)Nc4c2c(ncc2)nc(c3cccc(C(F)(F)F)n3)n4;Fc1cnccc1Nc2nc(nc3[nH]ccc23)c4cccc(n4)C(F)(F)F;c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F","InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)","","2017-10-10","2018-02-02","N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2018-02-07"],["D0B","3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one","C24 H33 N3 O4","COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4C[CH](C)O[CH](C)C4)n3;CC1CN(CC(O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC","InChI=1S/C24H33N3O4/c1-17-15-26(16-18(2)30-17)24(28)11-13-27-12-10-21(25-27)19-8-9-22(29-3)23(14-19)31-20-6-4-5-7-20/h8-10,12,14,17-18,20H,4-7,11,13,15-16H2,1-3H3/t17-,18-/m1/s1","","2017-12-13","2018-05-11","3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one","2018-05-16"],["JEQ","5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C25 H26 N6","Nc1[nH]nc(c2ccc3ccn(C[CH]4CCCN(C4)Cc5ccccc5)c3c2)c1C#N;c1ccc(cc1)CN2CCCC(C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N","InChI=1S/C25H26N6/c26-14-22-24(28-29-25(22)27)21-9-8-20-10-12-31(23(20)13-21)17-19-7-4-11-30(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,8-10,12-13,19H,4,7,11,15-17H2,(H3,27,28,29)/t19-/m1/s1","","2019-02-19","2020-03-13","5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2020-03-18"],["JER","(2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol","C25 H31 N3 O5","CCc1cc(cc(C)c1OC[CH](O)CO)c2noc(n2)c3cc(OC)nc(c3)C4CCCC4;CCc1cc(cc(c1OCC(CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4","InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1","","2021-05-27","2021-09-24","(2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol","2021-09-29"],["D0C","4-chloro-D-phenylalanine","C9 H10 Cl N O2","NC(Cc1ccc(cc1)Cl)C(=O)O;N[CH](Cc1ccc(Cl)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)Cl","InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1","","2020-10-29","2024-09-27","4-chloro-D-phenylalanine","2021-11-17"],["JET","[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{H}-pyrazole-4-carboxylate","C14 H14 N2 O5","COC(=O)COc1cccc(COC(=O)c2c[nH]nc2)c1;COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2","InChI=1S/C14H14N2O5/c1-19-13(17)9-20-12-4-2-3-10(5-12)8-21-14(18)11-6-15-16-7-11/h2-7H,8-9H2,1H3,(H,15,16)","","2019-02-19","2019-09-13","[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{H}-pyrazole-4-carboxylate","2019-09-18"],["D0D","N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide","C22 H20 Cl N5 O2 S","Clc1ncc(cc1NS(C)(=O)=O)c1cc2c(NC(C)c3ccccc3)ncnc2cc1;C[CH](Nc1ncnc2ccc(cc12)c3cnc(Cl)c(N[S](C)(=O)=O)c3)c4ccccc4;CC(c1ccccc1)Nc2c3cc(ccc3ncn2)c4cc(c(nc4)Cl)NS(=O)(=O)C","InChI=1S/C22H20ClN5O2S/c1-14(15-6-4-3-5-7-15)27-22-18-10-16(8-9-19(18)25-13-26-22)17-11-20(21(23)24-12-17)28-31(2,29)30/h3-14,28H,1-2H3,(H,25,26,27)/t14-/m1/s1","","2023-04-25","2024-06-07","N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide","2024-06-12"],["JEU","5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile","C23 H24 N4 O3","CC(C)Oc1ccc(cc1C#N)c2onc(n2)c3cccc4[CH](CCc34)NCCO;CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CCC4NCCO","InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1","","2021-05-27","2021-09-24","5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile","2021-09-29"],["D0E","3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one","C22 H29 N3 O4","COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4CCOCC4)n3;COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4","InChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3","","2017-12-13","2018-05-11","3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one","2018-05-16"],["JEV","N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide","C16 H21 N O2","C(NC(CC)=O)CC3CCc2ccc1OCCc1c23;CCC(=O)NCC[CH]1CCc2ccc3OCCc3c12;CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3","InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1","Ramelteon","2018-09-06","2021-03-01","N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide","2019-04-24"],["D0F","(2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","C23 H32 N2 O4","OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3;c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCN2C(=O)CCC3CCCCC3","InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1","N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine","2019-05-29","2021-03-01","(2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","2020-05-27"],["JEW","2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile","C19 H15 N5","Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4C#N)c3c2;c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N","InChI=1S/C19H15N5/c20-11-15-3-1-2-4-16(15)12-24-8-7-13-5-6-14(9-18(13)24)17-10-19(21)23-22-17/h1-10H,12H2,(H3,21,22,23)","","2019-02-19","2019-09-13","2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile","2019-09-18"],["D0G","(14S)-14-methylhexadecanoic acid","C17 H34 O2","C(CCCCCCCCCCC(C)CC)CC(O)=O;CC[CH](C)CCCCCCCCCCCCC(O)=O;CCC(C)CCCCCCCCCCCCC(=O)O","InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1","","2017-10-11","2018-10-05","(14S)-14-methylhexadecanoic acid","2018-10-10"],["JEX","5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole","C20 H10 F6 N2 O S","FC(F)(F)c1cccc(c1)c2noc(n2)c3sc(c(c3)c4ccccc4)C(F)(F)F;c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F","InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H","","2021-05-27","2021-09-24","5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole","2021-09-29"],["D0H","6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide","C23 H25 N5 O2","CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(cn1)C(=O)Nc3cccc(C)c3;CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C","InChI=1S/C23H25N5O2/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30)","","2017-12-14","2019-06-21","6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide","2019-06-26"],["JEY","N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide","C19 H20 N2 O2","C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C;COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3;CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC","InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)","2-phenylmelatonin","2018-09-06","2020-06-17","N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide","2019-04-24"],["D0I","[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol","C18 H21 N O","OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3;c1ccc(cc1)CN2CCC(C2)(CO)c3ccccc3","InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1","","2022-04-06","2023-01-13","[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol","2023-01-18"],["D0J","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol","C19 H36 N4 O5","C(N1CC(C(O)C(O)C1CO)O)CCCCCCCCn2cc(COC)nn2;COCc1cn(CCCCCCCCCN2C[CH](O)[CH](O)[CH](O)[CH]2CO)nn1;COCc1cn(nn1)CCCCCCCCCN2CC(C(C(C2CO)O)O)O","InChI=1S/C19H36N4O5/c1-28-14-15-11-23(21-20-15)10-8-6-4-2-3-5-7-9-22-12-17(25)19(27)18(26)16(22)13-24/h11,16-19,24-27H,2-10,12-14H2,1H3/t16-,17+,18-,19-/m1/s1","","2017-10-11","2018-09-21","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol","2018-09-26"],["JF0","1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(","C26 H29 N3 O2","O=C2N(c1ccncc1)CCN2CCCCCOc4ccc(c3cccc(c3)C)cc4;Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2;Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4","InChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3","","2013-11-07","2014-09-05","1-{5-[(3'-methylbiphenyl-4-yl)oxy]pentyl}-3-(pyridin-4-yl)imidazolidin-2-one","2014-02-12"],["D0K","6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide","C21 H22 N6 O3","CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(cn1)C(=O)Nc3cccnc3;CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC","InChI=1S/C21H22N6O3/c1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)","","2017-12-14","2019-01-25","6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide","2019-01-30"],["JF1","(1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium","C14 H26 N","C=C(/C2CC1(C(CCC[NH+]1CC2)C)C)C;C[CH]1CCC[NH+]2CC[CH](C[C]12C)C(C)=C;CC1CCC[NH+]2C1(CC(CC2)C(=C)C)C","InChI=1S/C14H25N/c1-11(2)13-7-9-15-8-5-6-12(3)14(15,4)10-13/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13-,14+/m0/s1","","2013-05-24","2013-08-09","(1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium","2013-08-14"],["JF2","(1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium","C14 H26 N","C=C(/C2CC1(C(CCC[NH+]1CC2)C)C)C;C[CH]1CCC[NH+]2CC[CH](C[C]12C)C(C)=C;CC1CCC[NH+]2C1(CC(CC2)C(=C)C)C","InChI=1S/C14H25N/c1-11(2)13-7-9-15-8-5-6-12(3)14(15,4)10-13/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13-,14+/m1/s1","","2013-05-24","2013-08-09","(1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium","2013-08-14"],["D0L","(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","C21 H32 N2 O3","CCCCCCCN1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O;CCCCCCCN1CCCC1C(=O)NC(Cc2ccccc2)C(=O)O","InChI=1S/C21H32N2O3/c1-2-3-4-5-9-14-23-15-10-13-19(23)20(24)22-18(21(25)26)16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3,(H,22,24)(H,25,26)/t18-,19-/m0/s1","","2019-05-29","2020-03-13","(2~{S})-2-[[(2~{S})-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid","2020-03-18"],["D0M","pentan-3-amine","C5 H13 N","NC(CC)CC;CCC(N)CC;CCC(CC)N","InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3","","2010-11-03","2012-01-13","pentan-3-amine",""],["JF4","(3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium","C14 H26 N","C=C(/C2CCC1(CCCC(C)[NH+]1C2)C)C;C[CH]1CCC[C]2(C)CC[CH](C[NH+]12)C(C)=C;CC1CCCC2([NH+]1CC(CC2)C(=C)C)C","InChI=1S/C14H25N/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14)10-13/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13+,14-/m1/s1","","2013-05-24","2013-08-09","(3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium","2013-08-14"],["JF5","(phenylmethyl) 1~{H}-pyrazole-4-carboxylate","C11 H10 N2 O2","O=C(OCc1ccccc1)c2c[nH]nc2;c1ccc(cc1)COC(=O)c2c[nH]nc2","InChI=1S/C11H10N2O2/c14-11(10-6-12-13-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)","","2019-02-19","2019-09-13","(phenylmethyl) 1~{H}-pyrazole-4-carboxylate","2019-09-18"],["D0N","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-\n3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","C12 H21 F O10","OC[CH]1O[CH](O[CH]2[CH](F)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C(C2F)O)O)CO)O)O)O)O","InChI=1S/C12H21FO10/c13-5-7(17)11(20)21-4(2-15)10(5)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12-/m1/s1","","2017-12-15","2020-07-17","(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","2019-01-30"],["JF6","4-PHENYL-1,2,5-OXADIAZOL-3-AMINE","C8 H7 N3 O","n1onc(N)c1c2ccccc2;Nc1nonc1c2ccccc2;c1ccc(cc1)c2c(non2)N","InChI=1S/C8H7N3O/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)","","2015-02-11","2015-05-08","4-phenyl-1,2,5-oxadiazol-3-amine","2015-05-13"],["D0O","(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid","C25 H42 O5 S","C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](C)(=O)=O;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)C)C)C","InChI=1S/C25H42O5S/c1-16(5-10-23(26)27)20-8-9-21-19-7-6-17-15-18(30-31(4,28)29)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22H,5-15H2,1-4H3,(H,26,27)/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1","","2019-05-31","2019-07-19","(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid","2019-07-24"],["JF8","5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile","C12 H9 N5","Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N;c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N","InChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17)","","2019-02-19","2019-09-13","5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["D0P","N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide","C14 H11 F2 N O2 S","c2(ccc(c1ccc(c(NC(CS)=O)c1)O)c(c2)F)F;Oc1ccc(cc1NC(=O)CS)c2ccc(F)cc2F;c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O","InChI=1S/C14H11F2NO2S/c15-9-2-3-10(11(16)6-9)8-1-4-13(18)12(5-8)17-14(19)7-20/h1-6,18,20H,7H2,(H,17,19)","","2017-10-12","2024-09-27","N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide","2018-06-20"],["D0Q","5-methyl-L-tryptophan","C12 H14 N2 O2","Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1;Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1","","2017-12-15","2024-09-27","(2~{S})-2-azanyl-3-(5-methyl-1~{H}-indol-3-yl)propanoic acid","2019-01-30"],["JF9","N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide","C19 H28 N2 O2","O=C(N(C1CCCCC1)C2CCCCC2)c3cc(on3)C4CC4;c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4","InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2","","2021-05-28","2021-09-24","~{N},~{N}-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide","2021-09-29"],["JFA","1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one","C18 H14 Cl2 N4 O","c4cc(CC=1NC(=O)N(C=1)Cc2nc3c(n2)cccc3)c(Cl)cc4Cl;Clc1ccc(CC2=CN(Cc3[nH]c4ccccc4n3)C(=O)N2)c(Cl)c1;c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl","InChI=1S/C18H14Cl2N4O/c19-12-6-5-11(14(20)8-12)7-13-9-24(18(25)21-13)10-17-22-15-3-1-2-4-16(15)23-17/h1-6,8-9H,7,10H2,(H,21,25)(H,22,23)","","2018-09-07","2019-09-13","1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one","2019-09-18"],["D0R","N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide","C32 H45 N5 O3 S","O=C(NC(Cc1ccccc1)CC(O)C(N)Cc2ccccc2)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C;CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[CH](C[CH](O)[CH](N)Cc2ccccc2)Cc3ccccc3;CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)N)O","InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1","desthiazolylmethyloxycarbonyl ritonavir","2011-08-26","2021-03-01","N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide",""],["JFB","5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C18 H14 N6","Nc1[nH]nc(c2ccc3ccn(Cc4ccncc4)c3c2)c1C#N;c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N","InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)14-2-1-13-5-8-24(16(13)9-14)11-12-3-6-21-7-4-12/h1-9H,11H2,(H3,20,22,23)","","2019-02-19","2019-09-13","5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["D0S","N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide","C26 H31 N7 O2 S","c5(c4ccn3c(c(c2nc(N1CC(O)C1)cc(C(NCC(C)N(CC)CC)=O)c2)cn3)n4)cccs5;CCN(CC)[CH](C)CNC(=O)c1cc(nc(c1)c2cnn3ccc(nc23)c4sccc4)N5CC(O)C5;CCN(CC)C(C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5","InChI=1S/C26H31N7O2S/c1-4-31(5-2)17(3)13-27-26(35)18-11-22(29-24(12-18)32-15-19(34)16-32)20-14-28-33-9-8-21(30-25(20)33)23-7-6-10-36-23/h6-12,14,17,19,34H,4-5,13,15-16H2,1-3H3,(H,27,35)/t17-/m0/s1","","2017-10-13","2017-11-24","N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide","2017-11-29"],["D0T","(2S)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","C29 H30 N2 O7","O=C(NCc1ccccc1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O;CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O","InChI=1S/C29H30N2O7/c1-31(16-20-9-5-6-10-23(20)28(34)30-15-19-7-3-2-4-8-19)17-21-11-13-24-27(26(21)29(35)36)37-18-22(38-24)12-14-25(32)33/h2-11,13,22H,12,14-18H2,1H3,(H,30,34)(H,32,33)(H,35,36)/t22-/m0/s1","","2013-11-13","2014-04-29","(2S)-6-({[2-(benzylcarbamoyl)benzyl](methyl)amino}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2013-11-20"],["JFC","ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate","C22 H25 N3 O3","CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4;CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4","InChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3","","2022-04-26","2023-03-31","ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate","2023-04-05"],["JFD","6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione","C4 H4 Br N3 O2","BrC=1C(=O)NC(=O)NC=1N;NC1=C(Br)C(=O)NC(=O)N1;C1(=C(NC(=O)NC1=O)N)Br","InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)","6-amino-5-bromopyrimidine-2,4(1H,3H)-dione","2008-08-05","2021-03-13","6-amino-5-bromopyrimidine-2,4(1H,3H)-dione",""],["D0U","4-azanyl-2-sulfanyl-benzoic acid","C7 H7 N O2 S","Nc1ccc(C(O)=O)c(S)c1;c1cc(c(cc1N)S)C(=O)O","InChI=1S/C7H7NO2S/c8-4-1-2-5(7(9)10)6(11)3-4/h1-3,11H,8H2,(H,9,10)","","2019-05-31","2019-08-02","4-azanyl-2-sulfanyl-benzoic acid","2019-08-07"],["JFE","3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","C19 H18 N4 O","COc1cccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)c1;COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N","InChI=1S/C19H18N4O/c1-24-16-4-2-3-13(9-16)12-23-8-7-14-5-6-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22)","","2019-02-19","2019-09-13","3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","2019-09-18"],["D0V","(2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one","C26 H19 Cl F N3 O2 S2","C=1(C(=O)NC(CC=1O)(c2ccsc2)c3cccc(n3)Nc4ccc(cc4)F)Sc5ccccc5Cl;OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4cccc(Nc5ccc(F)cc5)n4;c1ccc(c(c1)SC2=C(CC(NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl","InChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,32H,14H2,(H,29,30)(H,31,33)/t26-/m1/s1","","2017-10-13","2018-10-12","(2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one","2018-10-17"],["JFF","(2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid","C19 H26 Cl N5 O6 S","NCC(CN)=C(SCC(NC(O)=O)C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl;c1cc(ccc1C(=C(CN)CN)SCC(C(=O)O)NC(=O)O)C(=O)NCCNC(=O)CCl","InChI=1S/C19H26ClN5O6S/c20-7-15(26)23-5-6-24-17(27)12-3-1-11(2-4-12)16(13(8-21)9-22)32-10-14(18(28)29)25-19(30)31/h1-4,14,25H,5-10,21-22H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31)","","2022-08-10","2024-09-27","(2~{R})-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid","2023-11-15"],["D0W","Sampatrilat-Asp","C25 H33 N3 O10","CC(=O)N[CH](CC(O)=O)C(=O)NC[CH](CC1(CCCC1)C(=O)N[CH](Cc2ccc(O)cc2)C(O)=O)C(O)=O;CC(=O)NC(CC(=O)O)C(=O)NCC(CC1(CCCC1)C(=O)NC(Cc2ccc(cc2)O)C(=O)O)C(=O)O","InChI=1S/C25H33N3O10/c1-14(29)27-18(11-20(31)32)21(33)26-13-16(22(34)35)12-25(8-2-3-9-25)24(38)28-19(23(36)37)10-15-4-6-17(30)7-5-15/h4-7,16,18-19,30H,2-3,8-13H2,1H3,(H,26,33)(H,27,29)(H,28,38)(H,31,32)(H,34,35)(H,36,37)/t16-,18-,19-/m0/s1","","2017-12-15","2018-03-02","(3~{S})-3-acetamido-4-[[(2~{S})-2-[[1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]methyl]-3-oxidanyl-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butanoic acid","2018-03-07"],["JFG","3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide","C21 H18 N4 O","Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1;Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4;Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C","InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)","","2022-02-01","2022-10-07","3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide","2022-10-12"],["D0X","[Ru(eta(6)-p-cymene)Cl-2(pta)","C16 H22 Cl2 N3 P Ru","CC(C)C1=CC=C(C)C=C1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4;CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl","InChI=1S/C10H10.C6H12N3P.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h8H,1-3H3;1-6H2;2*1H;/q;;;;+1/p-1","","2019-06-04","2019-10-25","","2019-10-30"],["D0Y","(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one","C27 H19 Cl F N O3 S2","C=1(C(=O)OC(CC=1O)(c3cc(Nc2ccc(cc2)F)ccc3)c4ccsc4)Sc5ccccc5Cl;OC1=C(Sc2ccccc2Cl)C(=O)O[C](C1)(c3cscc3)c4cccc(Nc5ccc(F)cc5)c4;c1ccc(c(c1)SC2=C(CC(OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl","InChI=1S/C27H19ClFNO3S2/c28-22-6-1-2-7-24(22)35-25-23(31)15-27(33-26(25)32,18-12-13-34-16-18)17-4-3-5-21(14-17)30-20-10-8-19(29)9-11-20/h1-14,16,30-31H,15H2/t27-/m1/s1","","2017-10-13","2018-10-12","(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one","2018-10-17"],["JFH","3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","C23 H25 N5","Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2;c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5","InChI=1S/C23H25N5/c24-23-14-21(25-26-23)20-8-7-19-9-12-28(22(19)13-20)16-18-5-3-17(4-6-18)15-27-10-1-2-11-27/h3-9,12-14H,1-2,10-11,15-16H2,(H3,24,25,26)","","2019-02-19","2020-03-13","3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine","2020-03-18"],["JFI","~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide","C19 H23 N3 O2","O=C(NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2;c1cc(ccc1Cc2ccncc2)C(=O)NCCN3CCOCC3","InChI=1S/C19H23N3O2/c23-19(21-9-10-22-11-13-24-14-12-22)18-3-1-16(2-4-18)15-17-5-7-20-8-6-17/h1-8H,9-15H2,(H,21,23)","","2022-04-26","2023-05-05","~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide","2023-05-10"],["D0Z","Sampatrilat","C26 H40 N4 O9 S","C[S](=O)(=O)N[CH](CCCCN)C(=O)NC[CH](CC1(CCCC1)C(=O)N[CH](Cc2ccc(O)cc2)C(O)=O)C(O)=O;CS(=O)(=O)NC(CCCCN)C(=O)NCC(CC1(CCCC1)C(=O)NC(Cc2ccc(cc2)O)C(=O)O)C(=O)O","InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1","","2017-12-15","2018-03-02","(2~{S})-2-[[[(2~{S})-6-azanyl-2-(methylsulfonylamino)hexanoyl]amino]methyl]-3-[1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]propanoic acid","2018-03-07"],["D10","DECANE","C10 H22","C(CCCCCCCC)C;CCCCCCCCCC;CCCCCCCCCC","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","","2002-11-15","2011-06-04","decane",""],["JFJ","1-(3-chlorophenyl)-N-methylmethanamine","C8 H10 Cl N","CNCc1cccc(Cl)c1;CNCc1cccc(Cl)c1;CNCc1cccc(c1)Cl","InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3","","2018-09-10","2018-10-05","1-(3-chlorophenyl)-N-methylmethanamine","2018-10-10"],["D11","D-PHOSPHOTHREONINE","C4 H10 N O6 P","O=P(O)(O)OC(C(N)C(=O)O)C;C[CH](O[P](O)(O)=O)[CH](N)C(O)=O;CC(C(C(=O)O)N)OP(=O)(O)O","InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1","O-PHOSPHONO-D-THREONINE","2006-11-15","2024-09-27","O-phosphono-D-threonine",""],["JFK","(1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one","C25 H29 N3 O7 S2","O=C2N(CCOc1ccc(OC)c(OC)c1)CCC3N(C2CCC3)S(=O)(=O)c5ccc4c(SC(=O)N4)c5;COc1ccc(OCCN2CC[CH]3CCC[CH](N3[S](=O)(=O)c4ccc5NC(=O)Sc5c4)C2=O)cc1OC;COc1ccc(cc1OC)OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)c4ccc5c(c4)SC(=O)N5","InChI=1S/C25H29N3O7S2/c1-33-21-9-6-17(14-22(21)34-2)35-13-12-27-11-10-16-4-3-5-20(24(27)29)28(16)37(31,32)18-7-8-19-23(15-18)36-25(30)26-19/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,26,30)/t16-,20+/m1/s1","","2013-03-13","2013-08-23","(1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2013-08-28"],["JFL","2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one","C32 H32 F N3 O4","CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O;Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)C6CCC6)C)C(C)(C)O)C)F","InChI=1S/C32H32FN3O4/c1-17-11-21(33)12-18(2)28(17)39-26-10-9-20(32(3,4)38)13-22(26)24-16-36(5)31(37)23-14-27(40-29(23)24)25-15-34-30(35-25)19-7-6-8-19/h9-16,19,38H,6-8H2,1-5H3,(H,34,35)","","2022-01-18","2022-08-05","2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one","2022-08-10"],["D12","DODECANE","C12 H26","C(CCCCCCCC)CCC;CCCCCCCCCCCC;CCCCCCCCCCCC","InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","","1999-07-08","2011-06-04","dodecane",""],["JFM","N-(2-phenylethyl)methanesulfonamide","C9 H13 N O2 S","c1cccc(CCNS(C)(=O)=O)c1;C[S](=O)(=O)NCCc1ccccc1;CS(=O)(=O)NCCc1ccccc1","InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3","","2018-09-10","2018-10-05","N-(2-phenylethyl)methanesulfonamide","2018-10-10"],["D13","4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE","C21 H16 I N3 O S","Ic4cccc(c2c(nc(c1ccc(S(=O)C)cc1)n2)c3ccncc3)c4;C[S](=O)c1ccc(cc1)c2[nH]c(c3cccc(I)c3)c(n2)c4ccncc4;CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I","InChI=1S/C21H16IN3OS/c1-27(26)18-7-5-15(6-8-18)21-24-19(14-9-11-23-12-10-14)20(25-21)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,24,25)/t27-/m1/s1","","1999-07-08","2011-06-04","4-[5-(3-iodophenyl)-2-{4-[(R)-methylsulfinyl]phenyl}-1H-imidazol-4-yl]pyridine",""],["JFN","(2R)-1-methoxypropan-2-amine","C4 H11 N O","COCC(C)N;COC[CH](C)N;CC(COC)N","InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m1/s1","jeffamine","2018-08-17","2020-06-17","(2R)-1-methoxypropan-2-amine","2018-10-17"],["D14","7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide","C26 H29 Cl N6 O3 S","Clc2ccc1cc(ncc1c2)C(=O)NC5CCC(C(=O)N(C)C)CC5NC(=O)c3nc4c(s3)CN(C4)C;CN1Cc2sc(nc2C1)C(=O)N[CH]3C[CH](CC[CH]3NC(=O)c4cc5ccc(Cl)cc5cn4)C(=O)N(C)C;CN1Cc2c(sc(n2)C(=O)NC3CC(CCC3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1","InChI=1S/C26H29ClN6O3S/c1-32(2)26(36)15-5-7-18(29-23(34)20-9-14-4-6-17(27)8-16(14)11-28-20)19(10-15)30-24(35)25-31-21-12-33(3)13-22(21)37-25/h4,6,8-9,11,15,18-19H,5,7,10,12-13H2,1-3H3,(H,29,34)(H,30,35)/t15-,18-,19+/m0/s1","","2009-08-06","2011-06-04","7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide",""],["D15","N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide","C24 H22 Cl N5 O2","Clc1cccc(c1)C(C(=O)Nc2cc3c(cc2)nnc3NC(=O)c4ccccc4)CCN;NCC[CH](C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c4cccc(Cl)c4;c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)C(CCN)c4cccc(c4)Cl","InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1","","2008-06-30","2011-06-04","N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide",""],["JFO","(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine","C17 H14 Cl N5 O","Clc1ccccc1c1nc(C)c2c(N)nc3ccc(OC)nc3n21;COc1ccc2nc(N)c3n(c2n1)c(nc3C)c4ccccc4Cl;Cc1c2c(nc3ccc(nc3n2c(n1)c4ccccc4Cl)OC)N","InChI=1S/C17H14ClN5O/c1-9-14-15(19)21-12-7-8-13(24-2)22-17(12)23(14)16(20-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H2,19,21)","","2022-02-01","2022-10-07","(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine","2022-10-12"],["JFP","N-(4-methyl-1,3-thiazol-2-yl)propanamide","C7 H10 N2 O S","CCC(=O)Nc1nc(cs1)C;CCC(=O)Nc1scc(C)n1;CCC(=O)Nc1nc(cs1)C","InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)","","2018-09-10","2018-10-05","N-(4-methyl-1,3-thiazol-2-yl)propanamide","2018-10-10"],["D16","TOMUDEX","C21 H22 N4 O6 S","O=C(c3sc(N(C)Cc2ccc1NC(=NC(=O)c1c2)C)cc3)NC(C(=O)O)CCC(=O)O;CN(Cc1ccc2NC(=NC(=O)c2c1)C)c3sc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O;CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1","ZD1694; Raltitrexed","1999-07-08","2020-06-17","N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid",""],["D17","N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid","C23 H21 N3 O6 S2","O=C1C(SC(=S)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3;OC(=O)CC[CH](NC(=O)c1cccc(CNc2ccc(cc2)C=C3SC(=S)NC3=O)c1)C(O)=O;c1cc(cc(c1)C(=O)NC(CCC(=O)O)C(=O)O)CNc2ccc(cc2)C=C3C(=O)NC(=S)S3","InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m0/s1","","2009-05-28","2011-06-04","N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid",""],["JFQ","trans-N-(3-aminopropyl)cyclohexane-1,4-diamine","C9 H21 N3","N(CCCN)C1CCC(N)CC1;NCCCN[CH]1CC[CH](N)CC1;C1CC(CCC1N)NCCCN","InChI=1S/C9H21N3/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,10-11H2/t8-,9-","","2011-04-15","2012-04-20","trans-N-(3-aminopropyl)cyclohexane-1,4-diamine",""],["D18","2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN","C24 H32 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C;CC(C)N[CH](N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)[CH](N)NC(C)C;CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N","InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+","FURAMIDINE DERIVATIVE","1999-07-08","2020-06-17","(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine]",""],["JFR","2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one","C33 H34 F N3 O4","CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O;Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)C6CCCC6)C)C(C)(C)O)C)F","InChI=1S/C33H34FN3O4/c1-18-12-22(34)13-19(2)29(18)40-27-11-10-21(33(3,4)39)14-23(27)25-17-37(5)32(38)24-15-28(41-30(24)25)26-16-35-31(36-26)20-8-6-7-9-20/h10-17,20,39H,6-9H2,1-5H3,(H,35,36)","","2022-01-18","2022-08-05","2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one","2022-08-10"],["JFS","[4-(1H-benzimidazol-1-yl)phenyl]methanol","C14 H12 N2 O","c1(ccc(CO)cc1)n3c2ccccc2nc3;OCc1ccc(cc1)n2cnc3ccccc23;c1ccc2c(c1)ncn2c3ccc(cc3)CO","InChI=1S/C14H12N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2","","2018-09-10","2024-09-27","[4-(1H-benzimidazol-1-yl)phenyl]methanol","2018-10-10"],["D19","2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN","C24 H28 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5;N[CH](NC1CC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5CC5;c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5","InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+","FURAMIDINE DERIVATIVE","1999-07-08","2021-03-01","(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopropylmethanediamine)",""],["JFT","3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","C18 H13 Cl N6","Nc1n[nH]c(c2ccc3c(Cl)cn(Cc4cccnc4)c3c2)c1C#N;c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl","InChI=1S/C18H13ClN6/c19-15-10-25(9-11-2-1-5-22-8-11)16-6-12(3-4-13(15)16)17-14(7-20)18(21)24-23-17/h1-6,8,10H,9H2,(H3,21,23,24)","","2019-02-19","2019-09-13","3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile","2019-09-18"],["D1A","N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide","C18 H17 N7 O3","[O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc3ccc(C(=NNC(=[N@H])N)C)cc3;CC(=NNC(N)=N)c1ccc(NC(=O)c2[nH]c3c(cccc3[N+]([O-])=O)c2)cc1;CC(=NNC(=N)N)c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]","InChI=1S/C18H17N7O3/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)14-9-12-3-2-4-15(25(27)28)16(12)22-14/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+","","2009-01-06","2014-09-05","N-{4-[(1E)-1-(2-carbamimidoylhydrazinylidene)ethyl]phenyl}-7-nitro-1H-indole-2-carboxamide",""],["D1B","2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE","C19 H16 N6 S","n2c1c(cc(C(=[N@H])N)cc1)nc2c3sc(cc3)c4ccc(C(=[N@H])N)cc4;NC(=N)c1ccc(cc1)c2sc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N;[H]N=C(c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)N","InChI=1S/C19H16N6S/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25)","","2004-05-19","2011-06-04","2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-benzimidazole-6-carboximidamide",""],["JFU","~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide","C23 H23 F2 N5 O3 S","CCN1C(=O)c2cc(nc3c(N[S](=O)(=O)c4ccc(F)cc4F)ccc1c23)N5CCN(C)CC5;CCN1c2ccc(c3c2c(cc(n3)N4CCN(CC4)C)C1=O)NS(=O)(=O)c5ccc(cc5F)F","InChI=1S/C23H23F2N5O3S/c1-3-30-18-6-5-17(27-34(32,33)19-7-4-14(24)12-16(19)25)22-21(18)15(23(30)31)13-20(26-22)29-10-8-28(2)9-11-29/h4-7,12-13,27H,3,8-11H2,1-2H3","","2022-01-18","2022-08-05","~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide","2022-08-10"],["D1C","4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide","C16 H19 F3 N4 O4 S2","O=S(=O)(N)c1ccc(cc1)CNS(=O)(=O)NCC(N)Cc2cc(F)c(F)cc2F;N[CH](CN[S](=O)(=O)NCc1ccc(cc1)[S](N)(=O)=O)Cc2cc(F)c(F)cc2F;c1cc(ccc1CNS(=O)(=O)NCC(Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N","InChI=1S/C16H19F3N4O4S2/c17-14-7-16(19)15(18)6-11(14)5-12(20)9-23-29(26,27)22-8-10-1-3-13(4-2-10)28(21,24)25/h1-4,6-7,12,22-23H,5,8-9,20H2,(H2,21,24,25)/t12-/m1/s1","","2012-02-21","2013-02-22","4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide","2013-02-22"],["JFV","methyl 2-(4-aminophenoxy)benzoate","C14 H13 N O3","c2(Oc1ccc(cc1)N)c(C(OC)=O)cccc2;COC(=O)c1ccccc1Oc2ccc(N)cc2;COC(=O)c1ccccc1Oc2ccc(cc2)N","InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3","","2018-09-10","2018-10-05","methyl 2-(4-aminophenoxy)benzoate","2018-10-10"],["JFW","7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole","C17 H16 N4 O S2","Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncsc3c2[NH]1;COc1c(C)cnc(CSc2[nH]c3c4scnc4ccc3n2)c1C;Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3scn4","InChI=1S/C17H16N4OS2/c1-9-6-18-13(10(2)15(9)22-3)7-23-17-20-11-4-5-12-16(14(11)21-17)24-8-19-12/h4-6,8H,7H2,1-3H3,(H,20,21)","","2022-02-01","2022-10-07","7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole","2022-10-12"],["D1D","(4S,5S)-1,2-DITHIANE-4,5-DIOL","C4 H8 O2 S2","OC1CSSCC1O;O[CH]1CSSC[CH]1O;C1C(C(CSS1)O)O","InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","","2004-06-18","2011-06-04","(4S,5S)-1,2-dithiane-4,5-diol",""],["D1E","(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol","C26 H28 F2 N4 O2","Fc1cncc(OC)c1c1cccc(c1)C1(CC)c2c[NH]nc2NC=2C(F)C(C)(C)CC(O)C=21;CC[C]1(c2cccc(c2)c3c(F)cncc3OC)c4c[nH]nc4NC5=C1[CH](O)CC(C)(C)[CH]5F;CCC1(c2c[nH]nc2NC3=C1C(CC(C3F)(C)C)O)c4cccc(c4)c5c(cncc5F)OC","InChI=1S/C26H28F2N4O2/c1-5-26(15-8-6-7-14(9-15)20-17(27)12-29-13-19(20)34-4)16-11-30-32-24(16)31-22-21(26)18(33)10-25(2,3)23(22)28/h6-9,11-13,18,23,33H,5,10H2,1-4H3,(H2,30,31,32)/t18-,23+,26+/m1/s1","","2021-11-24","2023-06-09","(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol","2023-06-14"],["JFX","4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide","C12 H16 F N3 O2 S","Cc2c1c(ccc(c1)NS(CCCCF)(=O)=O)nn2;Cc1n[nH]c2ccc(N[S](=O)(=O)CCCCF)cc12;Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF","InChI=1S/C12H16FN3O2S/c1-9-11-8-10(4-5-12(11)15-14-9)16-19(17,18)7-3-2-6-13/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15)","","2019-06-12","2020-03-27","4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide","2020-04-01"],["JFY","N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide","C11 H17 N O2 S","c1c(C(CC)C)ccc(c1)NS(C)(=O)=O;CC[CH](C)c1ccc(N[S](C)(=O)=O)cc1;CCC(C)c1ccc(cc1)NS(=O)(=O)C","InChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)12-15(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1","","2018-09-10","2018-10-05","N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide","2018-10-10"],["D1F","1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione","C17 H24 N2 O7","O=C1NC(=O)N(C=C1C#CCCCCC)C2OC(C(O)C(O)C2O)CO;CCCCCC#CC1=CN([CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)NC1=O;CCCCCC#CC1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C17H24N2O7/c1-2-3-4-5-6-7-10-8-19(17(25)18-15(10)24)16-14(23)13(22)12(21)11(9-20)26-16/h8,11-14,16,20-23H,2-5,9H2,1H3,(H,18,24,25)/t11-,12-,13+,14-,16-/m1/s1","","2012-04-10","2012-07-20","1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione",""],["JFZ","4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside","C12 H15 N O7","C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O","InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1","4-nitrophenyl-alpha-L-fucose; 4-nitrophenyl 6-deoxy-alpha-L-galactoside; 4-nitrophenyl 6-deoxy-L-galactoside;\n4-nitrophenyl 6-deoxy-galactoside","2019-02-19","2020-07-17","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol","2019-02-27"],["D1G","N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE","C12 H14 N2 O","n2cccc(c1oc(cc1)CN(C)C)c2;CN(C)Cc1oc(cc1)c2cccnc2;CN(C)Cc1ccc(o1)c2cccnc2","InChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3","","2005-12-15","2011-06-04","N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine",""],["JG0","1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C29 H48 N12 O5","NCCCC[CH]1NC(=O)[CH](CCNC(N)=N)NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c2;c1cc2cc(c1)CNC(=O)CNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)CCNC(=N)N)CCCCN)NC(=N)N","InChI=1S/C29H48N12O5/c30-11-3-1-8-20-25(44)35-12-4-2-9-21(41-29(33)34)26(45)38-17-24(43)37-16-19-7-5-6-18(14-19)15-23(42)39-22(27(46)40-20)10-13-36-28(31)32/h5-7,14,20-22H,1-4,8-13,15-17,30H2,(H,35,44)(H,37,43)(H,38,45)(H,39,42)(H,40,46)(H4,31,32,36)(H4,33,34,41)/t20-,21+,22-/m0/s1","","2022-04-27","2023-05-26","1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-05-31"],["D1H","1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)","C16 H18 N8 O4","O=C2c1n(cnc1N(C(=O)N2CCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C;Cn1cnc2N(C)C(=O)N(CCN3C(=O)N(C)c4ncn(C)c4C3=O)C(=O)c12;Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE","2006-06-08","2020-06-17","1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)",""],["D1I","3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one","C17 H24 N2 O7","O=C1N=C3OC(=CC3=CN1C2OC(C(O)C(O)C2O)CO)CCCCC;CCCCCC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(=O)N=C2O1;CCCCCC1=CC2=CN(C(=O)N=C2O1)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C17H24N2O7/c1-2-3-4-5-10-6-9-7-19(17(24)18-15(9)25-10)16-14(23)13(22)12(21)11(8-20)26-16/h6-7,11-14,16,20-23H,2-5,8H2,1H3/t11-,12-,13+,14-,16-/m1/s1","","2012-04-10","2012-07-20","3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one",""],["JG1","7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one","C20 H21 N3 O2","O=C(c1nnc(o1)c2ncccc2)CCCCCCc3ccccc3;O=C(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3;c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3","InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2","","2010-12-03","2011-11-04","7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one",""],["D1J","1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione","C15 H20 N2 O7","O=C1NC(=O)N(C=C1C#CCCC)C2OC(C(O)C(O)C2O)CO;CCCC#CC1=CN([CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)NC1=O;CCCC#CC1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C15H20N2O7/c1-2-3-4-5-8-6-17(15(23)16-13(8)22)14-12(21)11(20)10(19)9(7-18)24-14/h6,9-12,14,18-21H,2-3,7H2,1H3,(H,16,22,23)/t9-,10-,11+,12-,14-/m1/s1","","2012-04-10","2012-07-20","1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione",""],["JG2","7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol","C20 H23 N3 O3","n3c(c1nnc(o1)C(O)(O)CCCCCCc2ccccc2)cccc3;OC(O)(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3;c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O","InChI=1S/C20H23N3O3/c24-20(25,14-8-2-1-4-10-16-11-5-3-6-12-16)19-23-22-18(26-19)17-13-7-9-15-21-17/h3,5-7,9,11-13,15,24-25H,1-2,4,8,10,14H2","7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, bound form","2011-11-02","2024-09-27","7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol",""],["JG3","1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline","C15 H22 N2 O3","O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2;N[CH](Cc1ccccc1)[CH](O)CN2CCC[CH]2C(O)=O;c1ccc(cc1)CC(C(CN2CCCC2C(=O)O)O)N","InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1","","2010-09-13","2024-09-27","1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline",""],["D1K","3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one","C15 H20 N2 O7","O=C1N=C3OC(=CC3=CN1C2OC(C(O)C(O)C2O)CO)CCC;CCCC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(=O)N=C2O1;CCCC1=CC2=CN(C(=O)N=C2O1)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C15H20N2O7/c1-2-3-8-4-7-5-17(15(22)16-13(7)23-8)14-12(21)11(20)10(19)9(6-18)24-14/h4-5,9-12,14,18-21H,2-3,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1","","2012-04-12","2012-07-20","3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one",""],["JG4","2-(thiophen-2-yl)-1H-imidazole","C7 H6 N2 S","c2cc(c1nccn1)sc2;[nH]1ccnc1c2sccc2;c1cc(sc1)c2[nH]ccn2","InChI=1S/C7H6N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9)","","2018-09-10","2018-10-05","2-(thiophen-2-yl)-1H-imidazole","2018-10-10"],["D1L","2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID","C15 H12 Cl2 O4","Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1;C[CH](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O;CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl","InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1","","2004-03-02","2011-06-04","(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid",""],["D1M","5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione","C12 H14 N2 O7","O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(C#C)C(=O)NC2=O;C#CC1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O","InChI=1S/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/m1/s1","5-ethynyl-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-ethynyl-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;\n5-ethynyl-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione","2012-04-12","2020-07-17","5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione",""],["JG5","Somapacitan","C51 H89 N11 O19 S","CC(=O)NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O)=O;CC(=O)NCCCCC(C(=O)O)NC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1","InChI=1S/C51H89N11O19S/c1-38(63)52-26-16-15-18-39(49(70)71)56-47(68)36-80-33-32-79-30-28-54-44(65)24-22-40(50(72)73)55-45(66)25-23-41(51(74)75)57-48(69)37-81-34-31-78-29-27-53-43(64)21-17-35-82(76,77)60-46(67)20-14-12-10-8-6-4-2-3-5-7-9-11-13-19-42-58-61-62-59-42/h39-41H,2-37H2,1H3,(H,52,63)(H,53,64)(H,54,65)(H,55,66)(H,56,68)(H,57,69)(H,60,67)(H,70,71)(H,72,73)(H,74,75)(H,58,59,61,62)/t39-,40+,41-/m0/s1","(2S)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4S)-4-carboxy-4-[[2-[2-[2-[4-[16-(1H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid","2019-02-20","2023-09-13","(2~{S})-6-acetamido-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid","2020-02-05"],["JG6","{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid","C13 H19 N6 O6 P","O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](CO)N(C3)C(=O)CC[P](O)(O)=O;c1nc2c(n1C3CC(N(C3)C(=O)CCP(=O)(O)O)CO)N=C(NC2=O)N","InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1","","2023-08-07","2024-05-03","{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid","2024-05-08"],["D1N","NAPHTHALENE-1,2-DIOL","C10 H8 O2","Oc1c2c(ccc1O)cccc2;Oc1ccc2ccccc2c1O;c1ccc2c(c1)ccc(c2O)O","InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H","1,2-DIHYDROXYNAPHTHALENE","2007-03-15","2020-06-17","naphthalene-1,2-diol",""],["D1O","tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II)","C6 H14 O8 Rh2","C[CH]1O[Rh]23(O)O[CH](C)O[Rh]2(O)(O1)O[CH](C)O3;CC1O[Rh]23(OC(O[Rh]2(O1)(OC(O3)C)O)C)O","InChI=1S/3C2H4O2.2H2O.2Rh/c3*1-2(3)4;;;;/h3*2H,1H3;2*1H2;;/q3*-2;;;2*+4/p-2","","2021-12-14","2022-08-22","3,7,10-trimethyl-1,5-bis(oxidanyl)-2,4,6,8,9,11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undecane","2022-06-08"],["JG7","(2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide","C26 H33 Cl F3 N5 O4 S","FC(F)(F)C5(C(=O)N2C(C(=O)NC1(C=[N@H])CC1)CC(C2)S(=O)(=O)c4ccc(N3CCN(CC)CC3)cc4Cl)CC5;CCN1CCN(CC1)c2ccc(c(Cl)c2)[S](=O)(=O)[CH]3C[CH](N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)NC5(CC5)C=N;CCN1CCN(CC1)c2ccc(c(c2)Cl)S(=O)(=O)C3CC(N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)NC5(CC5)C=N","InChI=1S/C26H33ClF3N5O4S/c1-2-33-9-11-34(12-10-33)17-3-4-21(19(27)13-17)40(38,39)18-14-20(22(36)32-24(16-31)5-6-24)35(15-18)23(37)25(7-8-25)26(28,29)30/h3-4,13,16,18,20,31H,2,5-12,14-15H2,1H3,(H,32,36)/b31-16+/t18-,20+/m1/s1","","2013-06-07","2024-09-27","(4R)-4-{[2-chloro-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide","2014-06-18"],["D1P","2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE","C5 H11 O7 P","O=P(OCC1OC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(OC1O)COP(=O)(O)O)O","InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1/f/h8-9H","ABASIC DEOXYRIBOSE","1999-07-08","2009-01-07","2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose",""],["JG8","BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE","C10 H6 N2 O2","O=C1NC=Nc2c1oc3ccccc23;c1ccc2c(c1)c3c(o2)C(=O)NC=N3","InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)","","2015-09-22","2016-09-30","3H-[1]benzofuro[3,2-d]pyrimidin-4-one","2016-10-05"],["JG9","(4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine","C22 H24 N4","Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1ccccc1;Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4;Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4)C)C","InChI=1S/C22H24N4/c1-15-16(2)26-17(3)18(11-13-22(26)23-15)10-12-21-24-20(14-25(21)4)19-8-6-5-7-9-19/h5-9,11,13-14H,10,12H2,1-4H3","","2022-02-01","2022-10-07","(4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine","2022-10-12"],["D1Q","4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid","C26 H27 Cl N4 O4 S","Clc1ccc(cc1)NC(=O)CCc2ccc(C(=O)O)cc2NC(=O)c3nc4c(s3)CN(CC4)C(C)C;CC(C)N1CCc2nc(sc2C1)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(Cl)cc4)C(O)=O;CC(C)N1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1","InChI=1S/C26H27ClN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)","","2011-09-27","2012-08-24","4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid","2012-08-24"],["JGA","N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea","C7 H11 N3 O2","CCNC(=O)Nc1noc(c1)C;CCNC(=O)Nc1cc(C)on1;CCNC(=O)Nc1cc(on1)C","InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)","","2018-09-10","2018-10-05","N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea","2018-10-10"],["D1R","NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE","C32 H40 N4 O4 S","O=C(N1CCN(C)CC1)NC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)Cc4ccccc4;CN1CCN(CC1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCc3ccccc3)CC[S](=O)(=O)c4ccccc4;CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4","InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1","","2007-04-19","2024-09-27","Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide",""],["JGB","(~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide","C10 H8 N2 O3","NC(=O)C(=Cc1ccc(O)c(O)c1)C#N;c1cc(c(cc1C=C(C#N)C(=O)N)O)O","InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+","","2019-02-20","2019-02-22","(~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide","2019-02-27"],["D1S","(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate","C33 H50 N4 O8","O=C1C(NCCCN(C)C)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;CO[CH]1C[CH](C)CC2=C(NCCCN(C)C)C(=O)C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O;CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)C)OC)OC(=O)N)C)C)O)OC","InChI=1S/C33H50N4O8/c1-19-15-23-28(35-13-10-14-37(5)6)25(38)18-24(30(23)40)36-32(41)20(2)11-9-12-26(43-7)31(45-33(34)42)22(4)17-21(3)29(39)27(16-19)44-8/h9,11-12,17-19,21,26-27,29,31,35,39H,10,13-16H2,1-8H3,(H2,34,42)(H,36,41)/b12-9-,20-11+,22-17+/t19-,21+,26+,27+,29-,31+/m1/s1","","2010-12-29","2011-06-04","(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate",""],["JGC","Flavin mononucleotide (semi-quinone intermediate)","C17 H23 N4 O9 P","Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2)CC(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-14,18,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,13+,14-/m0/s1","[(2R,3S,4S)-5-[(4aR)-7,8-dimethyl-2,4-bis(oxidanylidene)-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2022-04-27","2024-09-27","[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate","2023-05-24"],["D1T","DECANE-1-THIOL","C10 H22 S","SCCCCCCCCCC;CCCCCCCCCCS;CCCCCCCCCCS","InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3","","2007-07-26","2024-09-27","decane-1-thiol",""],["JGD","N,N-dimethylpyridin-4-amine","C7 H10 N2","CN(c1ccncc1)C;CN(C)c1ccncc1;CN(C)c1ccncc1","InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3","","2018-09-10","2018-10-05","N,N-dimethylpyridin-4-amine","2018-10-10"],["D1U","4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide","C20 H23 F3 N4 O2 S","FC(F)(F)c2nn(c1c2C(=O)CC(C1)(C)C)c3ccc(C(=O)N)c(NCCSC)c3;CSCCNc1cc(ccc1C(N)=O)n2nc(c3C(=O)CC(C)(C)Cc23)C(F)(F)F;CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C","InChI=1S/C20H23F3N4O2S/c1-19(2)9-14-16(15(28)10-19)17(20(21,22)23)26-27(14)11-4-5-12(18(24)29)13(8-11)25-6-7-30-3/h4-5,8,25H,6-7,9-10H2,1-3H3,(H2,24,29)","","2010-12-29","2011-06-04","4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide",""],["JGE","(R)-Ketoprofen","C16 H14 O3","C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2;CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O","InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1","","2019-02-20","2019-09-06","(2~{R})-2-[3-(phenylcarbonyl)phenyl]propanoic acid","2019-09-11"],["D1V","2-mercapto(3H)quinazolinone","C8 H6 N2 O S","O=C1c2c(N=C(S)N1)cccc2;SC1=Nc2ccccc2C(=O)N1;c1ccc2c(c1)C(=O)NC(=N2)S","InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)","2-sulfanylquinazolin-4(3H)-one","2008-05-08","2021-03-01","2-sulfanylquinazolin-4(3H)-one",""],["D1W","6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine","C23 H25 N3 O3","COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34;CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4","InChI=1S/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3","","2017-12-15","2018-08-17","6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine","2018-08-22"],["JGF","~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide","C29 H26 F2 N4 O5 S","CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]c(nc5)C6CCC6;CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cnc([nH]4)C5CCC5)C)Oc6ccc(cc6F)F","InChI=1S/C29H26F2N4O5S/c1-3-41(37,38)34-18-8-10-24(39-25-9-7-17(30)11-22(25)31)19(12-18)21-15-35(2)29(36)20-13-26(40-27(20)21)23-14-32-28(33-23)16-5-4-6-16/h7-16,34H,3-6H2,1-2H3,(H,32,33)","","2022-01-25","2022-08-05","~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide","2022-08-10"],["D1X","2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid","C6 H5 N O4","O=C1NC(=O)C=C(C(=O)O)C1;OC(=O)C1=CC(=O)NC(=O)C1;C1C(=CC(=O)NC1=O)C(=O)O","InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1H,2H2,(H,10,11)(H,7,8,9)","","2010-06-01","2011-06-04","2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid",""],["JGG","N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide","C13 H15 N3 O2","C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2;O=C(NCc1ccc(cc1)C#N)N2CCOCC2;c1cc(ccc1CNC(=O)N2CCOCC2)C#N","InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)","","2018-09-10","2018-10-05","N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide","2018-10-10"],["D1Y","(2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid","C10 H7 Cl O5","c1cc(O)cc(c1C([C@H]=C(C(O)=O)O)=O)Cl;Oc1ccc(c(Cl)c1)C(=O)C=C(O)C(O)=O;c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O","InChI=1S/C10H7ClO5/c11-7-3-5(12)1-2-6(7)8(13)4-9(14)10(15)16/h1-4,12,14H,(H,15,16)/b9-4-","","2017-10-13","2018-08-31","(2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid","2018-09-05"],["JGH","1:2 Ce-substituted Keggin","Ce H2 O78 P2 W22","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23[O]45[W]678O[W]9%10O[W]1%11%12O[W]4%13(O6)O[W]%14%15(O%11)O[W]%16%17%18O[W]5(O7)(O%13)O[W]%19%20(O[W]%21(O9)(O8)O[W]%22(O%19)(O[W](O%14)(O%16)(O[Ce]%23%24%25(O%10)(O[W]%26%27O[W]%28%29(O[PH]%30%31[O]%32%33[W]%34%35(O%26)O[W]%36%37(O%27)O[W]%38%39%40O[W]%32%41(O%34)O[W]%33(O%28)(O%35)O[W]%42%43(O%29)O[W]%44(O%41)(O%38)O[W](O%42)(O[W](O%36)(O%39)(O%23)[O]%30%37%40)(O%24)[O]%31%43%44)O%25)(O%12)O%22)[O]2%15%17)[O]3%20%21)O%18;[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/Ce.2HO4P.22H2O.48O.22W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;2*5H;22*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;22*+1/p-22","","2019-02-21","2020-03-13","","2020-03-18"],["JGI","4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide","C22 H21 N5 O3","O=C(c1cnn(C)c1C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4","InChI=1S/C22H21N5O3/c1-26-19(18(14-23-26)22(30)27-11-6-12-27)21(29)25-17-10-5-7-15(13-17)20(28)24-16-8-3-2-4-9-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,24,28)(H,25,29)","","2022-02-01","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide","2022-10-12"],["D1Z","~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide","C30 H36 N4 O5","COc1nc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OC[CH](CNC(=O)C5CCOCC5)Oc34;CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3OC(CO4)CNC(=O)C5CCOCC5","InChI=1S/C30H36N4O5/c1-34(2)18-20-6-4-7-22(16-20)32-26-11-10-25(33-30(26)36-3)24-8-5-9-27-28(24)39-23(19-38-27)17-31-29(35)21-12-14-37-15-13-21/h4-11,16,21,23,32H,12-15,17-19H2,1-3H3,(H,31,35)/t23-/m1/s1","","2017-12-15","2018-08-17","~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide","2018-08-22"],["JGJ","2-methoxy-N-[(1R)-1-phenylethyl]acetamide","C11 H15 N O2","C(NC(C)c1ccccc1)(=O)COC;COCC(=O)N[CH](C)c1ccccc1;CC(c1ccccc1)NC(=O)COC","InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1","","2018-09-10","2018-10-05","2-methoxy-N-[(1R)-1-phenylethyl]acetamide","2018-10-10"],["D20","N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE","C9 H20 N4 O3","O=C(O)C(N)CCCNC(=[N@H])NCCOC;COCCNC(=N)NCCC[CH](N)C(O)=O;COCCNC(=N)NCCCC(C(=O)O)N","InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1","","2006-11-29","2011-06-04","N~5~-[N-(2-methoxyethyl)carbamimidoyl]-L-ornithine",""],["JGK","~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide","C25 H23 N3 O5","CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O;CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C","InChI=1S/C25H23N3O5/c1-4-31-21-8-7-16(14(2)29)13-20(21)17-10-18(23-15(3)33-28-24(23)26)12-19(11-17)27-25(30)22-6-5-9-32-22/h5-13H,4H2,1-3H3,(H2,26,28)(H,27,30)","","2019-02-22","2020-03-13","~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide","2020-03-18"],["D21","(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate","C37 H71 O8 P","CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCC=C/CCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1","","2017-10-16","2017-10-27","(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate","2017-11-01"],["D22","N-octyloctan-1-amine","C16 H35 N","N(CCCCCCCC)CCCCCCCC;CCCCCCCCNCCCCCCCC;CCCCCCCCNCCCCCCCC","InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3","Dioctylamine","2009-05-14","2020-06-17","N-octyloctan-1-amine",""],["JGL","~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide","C25 H20 F2 N4 O5 S","CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]cnc5;CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cnc[nH]4)C)Oc5ccc(cc5F)F","InChI=1S/C25H20F2N4O5S/c1-3-37(33,34)30-15-5-7-21(35-22-6-4-14(26)8-19(22)27)16(9-15)18-12-31(2)25(32)17-10-23(36-24(17)18)20-11-28-13-29-20/h4-13,30H,3H2,1-2H3,(H,28,29)","","2022-01-25","2022-08-05","~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide","2022-08-10"],["D23","6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE","C19 H19 F3 N4","FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C;CC(C)(C)Nc1nc(nc2ccc(cc12)c3cccc(N)c3)C(F)(F)F;CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N","InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26)","DIN-234325","2005-09-28","2021-03-01","6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine",""],["JGM","{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide","C11 H15 N3 O3","c1(ccc(CC(NC(C)=O)C(=O)NN)cc1)O;CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NN;CC(=O)NC(Cc1ccc(cc1)O)C(=O)NN","InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)/t10-/m0/s1","","2018-09-10","2018-10-05","N-[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide (non-preferred name)","2018-10-10"],["JGN","[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol","C18 H26 N2 O2","CO[CH]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[CH](CO)C1;Cc1cc(c2c(c1CN3CCC(CC3CO)OC)cc[nH]2)C","InChI=1S/C18H26N2O2/c1-12-8-13(2)18-16(4-6-19-18)17(12)10-20-7-5-15(22-3)9-14(20)11-21/h4,6,8,14-15,19,21H,5,7,9-11H2,1-3H3/t14-,15-/m0/s1","","2019-02-25","2019-03-22","[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol","2019-03-27"],["D24","2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN","C28 H28 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC3C=CC=C3)c4ccc(cc4)C(N)NC5C=CC=C5;N[CH](NC1C=CC=C1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5C=CC=C5;c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5","InChI=1S/C28H28N4O/c29-27(31-23-5-1-2-6-23)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24-7-3-4-8-24/h1-18,23-24,27-28,31-32H,29-30H2/t27-,28+","","2000-02-03","2011-06-04","(R,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopenta-2,4-dien-1-ylmethanediamine)",""],["JGO","meso-2,6-diaminopimelic acid NH2","C7 H15 N3 O3","N[CH](CCC[CH](N)C(O)=O)C(N)=O;C(CC(C(=O)N)N)CC(C(=O)O)N","InChI=1S/C7H15N3O3/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H2,10,11)(H,12,13)/t4-,5+/m1/s1","(2S,6R)-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid; (2S,6R)-2,6,7-triamino-7-oxoheptanoic acid","2023-08-07","2024-09-27","(2~{S},6~{R})-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid","2024-08-07"],["D25","3-phenyl-5-(1H-pyrazol-3-yl)isoxazole","C12 H9 N3 O","n1oc(cc1c2ccccc2)c3nncc3;[nH]1ccc(n1)c2onc(c2)c3ccccc3;c1ccc(cc1)c2cc(on2)c3cc[nH]n3","InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)","","2007-09-26","2011-06-04","3-phenyl-5-(1H-pyrazol-3-yl)isoxazole",""],["JGP","(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone","C14 H17 N O3","C1N(CCCCC1)C(c3ccc2OCOc2c3)=O;O=C(N1CCCCCC1)c2ccc3OCOc3c2;c1cc2c(cc1C(=O)N3CCCCCC3)OCO2","InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2","","2018-09-10","2018-10-05","(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone","2018-10-10"],["D26","PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE","C12 H9 N3 S","n1cc(sc1c2ccccc2)c3nncc3;[nH]1ccc(n1)c2sc(nc2)c3ccccc3;c1ccc(cc1)c2ncc(s2)c3cc[nH]n3","InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)","","2007-09-27","2011-06-04","2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole",""],["JGQ","4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid","C25 H30 N2 O4","CCO[CH]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[CH](C1)c4ccc(cc4)C(O)=O;CCOC1CCN(C(C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C","InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1","","2019-02-25","2019-03-22","4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid","2019-03-27"],["D27","2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid","C18 H17 N O5","O=C(O)c1ccccc1NC(=O)C=Cc2cc(OC)c(OC)cc2;COc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1OC;COc1ccc(cc1OC)C=CC(=O)Nc2ccccc2C(=O)O","InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+","","2007-09-28","2011-06-04","2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid",""],["JGR","~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide","C34 H35 F N2 O7 S","CC[S](=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5cc(C)c(OCCO)c(C)c5;CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cc(c(c(c4)C)OCCO)C)C)Oc5c(cc(cc5C)F)C","InChI=1S/C34H35FN2O7S/c1-7-45(40,41)36-25-8-9-29(43-32-21(4)14-24(35)15-22(32)5)26(16-25)28-18-37(6)34(39)27-17-30(44-33(27)28)23-12-19(2)31(20(3)13-23)42-11-10-38/h8-9,12-18,36,38H,7,10-11H2,1-6H3","","2022-01-26","2022-08-05","~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide","2022-08-10"],["D28","4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid","C17 H13 F N2 O3 S","Fc3ccc(c1nc(sc1)Nc2cc(O)c(C(=O)O)cc2)cc3C;Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2;Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O","InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)","","2007-09-28","2011-06-04","4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid",""],["JGS","3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid","C11 H8 N2 O4","c1(oncc1)C(Nc2cc(C(O)=O)ccc2)=O;OC(=O)c1cccc(NC(=O)c2oncc2)c1;c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O","InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)","","2018-09-10","2018-10-05","3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid","2018-10-10"],["D29","(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol","C13 H11 F6 N O S2","FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CCN=C/S)cc(c1)C(F)(F)F;FC(F)(F)c1cc(cc(c1)C(F)(F)F)[S](=O)C=CCCN=CS;c1c(cc(cc1C(F)(F)F)S(=O)C=CCCN=CS)C(F)(F)F","InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1","","2018-04-25","2024-09-27","(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol","2019-04-17"],["JGT","~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine","C14 H14 Br N3","Cc1cc(Br)c(NC2=NCCN2)c3ccccc13;Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br","InChI=1S/C14H14BrN3/c1-9-8-12(15)13(18-14-16-6-7-17-14)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,16,17,18)","","2019-02-25","2019-03-22","~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine","2019-03-27"],["D2A","2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE","C21 H18 N6","[N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4;NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N;[H]N=C(c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)N","InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)","DB921","2005-09-16","2020-06-17","2-(4'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-6-carboximidamide",""],["D2B","5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine","C18 H20 N4 O2","n1c(c2c(nc1N)occ2/C=C(c3ccccc3OC)C(C)C)N;COc1ccccc1C(=Cc2coc3nc(N)nc(N)c23)C(C)C;CC(C)C(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC","InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-","","2010-07-19","2011-06-04","5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine",""],["JGU","7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one","C33 H31 F2 N O6","CN1C=C(c2oc(cc2C1=O)c3cc(C)c(OCCO)c(C)c3)c4cc(ccc4Oc5ccc(F)cc5F)C(C)(C)O;Cc1cc(cc(c1OCCO)C)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5ccc(cc5F)F)C(C)(C)O","InChI=1S/C33H31F2NO6/c1-18-12-20(13-19(2)30(18)40-11-10-37)29-16-24-31(42-29)25(17-36(5)32(24)38)23-14-21(33(3,4)39)6-8-27(23)41-28-9-7-22(34)15-26(28)35/h6-9,12-17,37,39H,10-11H2,1-5H3","","2022-01-26","2022-08-05","7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one","2022-08-10"],["D2C","(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE","C21 H25 Cl N2 O7","O=C1C4C(C(N(C)C)C(=O)C1C(=O)N)CC3C(C(O)c2c(c(Cl)ccc2O)C3O)C4O;CN(C)[CH]1[CH]2C[CH]3[CH](O)c4c(Cl)ccc(O)c4[CH](O)[CH]3[CH](O)[CH]2C(=O)[CH](C(N)=O)C1=O;CN(C)C1C2CC3C(c4c(ccc(c4C(C3C(C2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O","InChI=1S/C21H25ClN2O7/c1-24(2)15-6-5-7-11(17(27)10(6)19(29)14(20(15)30)21(23)31)18(28)13-9(25)4-3-8(22)12(13)16(7)26/h3-4,6-7,10-11,14-18,25-28H,5H2,1-2H3,(H2,23,31)/t6-,7+,10-,11+,14+,15+,16+,17+,18-/m1/s1","","2006-04-21","2011-06-04","(2S,4S,4aR,5aS,6S,11R,11aS,12R,12aR)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide",""],["JGV","(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone","C11 H13 N3 O2 S","C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3;O=C(N1CCOCC1)c2ccc3SNNc3c2;c1cc2c(cc1C(=O)N3CCOCC3)NNS2","InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2","","2018-09-10","2018-10-05","(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone","2018-10-10"],["JGW","2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one","C24 H18 F3 N O2","CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3;CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1","","2019-02-25","2021-06-25","2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one","2021-06-30"],["D2D","5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine","C19 H22 N4 O2","n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)CC(C)C)N;COc1ccccc1C(CC(C)C)=Cc2coc3nc(N)nc(N)c23;CC(C)CC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC","InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9+","","2010-07-19","2011-06-04","5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine",""],["D2E","5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine","C18 H18 N4 O2","n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)C4CC4)N;COc1ccccc1C(=Cc2coc3nc(N)nc(N)c23)C4CC4;COc1ccccc1C(=Cc2coc3c2c(nc(n3)N)N)C4CC4","InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8+","","2010-07-19","2011-06-04","5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine",""],["JGX","Tamsulosin","C20 H28 N2 O5 S","CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O;CCOc1ccccc1OCCNC(C)Cc2ccc(c(c2)S(=O)(=O)N)OC","InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1","","2022-08-10","2023-06-30","5-[(2~{R})-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide","2023-07-05"],["JGY","1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide","C10 H15 N3 O2","C(C1CCCO1)NC(c2ccn(C)n2)=O;Cn1ccc(n1)C(=O)NC[CH]2CCCO2;Cn1ccc(n1)C(=O)NCC2CCCO2","InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1","","2018-09-10","2018-10-05","1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide","2018-10-10"],["D2F","5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine","C19 H22 N4 O2","n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)CCCC)N;CCCCC(=Cc1coc2nc(N)nc(N)c12)c3ccccc3OC;CCCCC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC","InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10+","","2010-07-19","2011-06-04","5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine",""],["JGZ","4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide","C24 H26 N6 O3 S","N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(c2ccc(cc2)S(=O)(=O)N)CC3)c(c4)C)C;Cc1cc(cc(C)c1Oc2ccnc(NC3CCN(CC3)c4ccc(cc4)[S](N)(=O)=O)n2)C#N;Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N","InChI=1S/C24H26N6O3S/c1-16-13-18(15-25)14-17(2)23(16)33-22-7-10-27-24(29-22)28-19-8-11-30(12-9-19)20-3-5-21(6-4-20)34(26,31)32/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H2,26,31,32)(H,27,28,29)","","2010-06-08","2011-06-04","4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide",""],["D2G","N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE","C11 H12 N2 O","n2cccc(c1oc(cc1)CNC)c2;CNCc1oc(cc1)c2cccnc2;CNCc1ccc(o1)c2cccnc2","InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3","","2005-12-15","2011-06-04","N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine",""],["JH0","6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER","C58 H85 N5 O10 Si","O=C(NC(C(=O)OC(CC(=O)NC3C(=O)N(O[Si](c1ccccc1)(c2ccccc2)C(C)(C)C)CCCC3)C)CCCCN(O)C(=O)CCCCCCCCCCCCCCC)C4N=C(OC4)c5c(O)cccc5;CCCCCCCCCCCCCCCC(=O)N(O)CCCC[CH](NC(=O)[CH]1COC(=N1)c2ccccc2O)C(=O)O[CH](C)CC(=O)N[CH]3CCCCN(O[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)C3=O;CCCCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)C4COC(=N4)c5ccccc5O)O","InChI=1S/C58H85N5O10Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-39-53(66)62(70)40-29-27-37-49(60-54(67)50-43-71-55(61-50)47-35-25-26-38-51(47)64)57(69)72-44(2)42-52(65)59-48-36-28-30-41-63(56(48)68)73-74(58(3,4)5,45-31-20-18-21-32-45)46-33-22-19-23-34-46/h18-23,25-26,31-35,38,44,48-50,64,70H,6-17,24,27-30,36-37,39-43H2,1-5H3,(H,59,65)(H,60,67)/t44-,48+,49+,50-/m1/s1","","2005-01-21","2011-06-04","(1R)-3-{[(3S)-1-{[tert-butyl(diphenyl)silyl]oxy}-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl N~6~-hexadecanoyl-N~6~-hydroxy-N~2~-{[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-L-lysinate",""],["D2H","5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine","C19 H22 N4 O2","n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)C(C)CC)N;CC[CH](C)C(=Cc1coc2nc(N)nc(N)c12)c3ccccc3OC;CCC(C)C(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC","InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9+/t11-/m1/s1","","2010-07-19","2011-06-04","5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine",""],["JH1","1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide","C13 H14 F N3 O","c1c(ccc(F)c1)CNC(c2cn(CC)nc2)=O;CCn1cc(cn1)C(=O)NCc2ccc(F)cc2;CCn1cc(cn1)C(=O)NCc2ccc(cc2)F","InChI=1S/C13H14FN3O/c1-2-17-9-11(8-16-17)13(18)15-7-10-3-5-12(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18)","","2018-09-10","2024-09-27","1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide","2018-10-10"],["D2I","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate","C20 H26 O5","COC(=O)[C]1(CCC(=O)[CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2;CC(C)(C)OC(=O)C1CC(CCC1=O)(Cc2ccccc2)C(=O)OC","InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20+/m1/s1","","2023-07-17","2024-09-27","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate","2024-07-24"],["JH2","methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate","C17 H28 O3","O=C(OC)C=C(/C)CCC=C(/C)CCC1OC1(CC)C;CC[C]1(C)O[CH]1CCC(C)=CCCC(C)=CC(=O)OC;CCC1(C(O1)CCC(=CCCC(=CC(=O)OC)C)C)C","InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1","JH II, Juvenile hormone II","2010-10-26","2020-06-17","methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate",""],["D2J","6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid","C22 H27 N5 O4","O=C(O)CCCCCOc1cc(c(OC)cc1)Cc2c(c3c(nc2)nc(nc3N)N)C;COc1ccc(OCCCCCC(O)=O)cc1Cc2cnc3nc(N)nc(N)c3c2C;Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O","InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)","","2010-07-19","2011-06-04","6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid",""],["JH3","methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate","C16 H26 O3","O=C(OC)C=C(CC/C=C(/CCC1OC1(C)C)C)C;COC(=O)C=C(C)CCC=C(C)CC[CH]1OC1(C)C;CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C","InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1","JH III; juvenile hormone III","2009-05-07","2021-03-13","methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate",""],["D2K","ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate","C22 H27 N5 O4","O=C(OCC)CCCOc1cc(c(OC)cc1)Cc2c(c3c(nc2)nc(nc3N)N)C;CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1;CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC","InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)","","2010-07-19","2011-06-04","ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate",""],["D2L","[(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate","C26 H51 N O4 S","CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O;CCCC(CC)CC1CC(CC(N1CC=O)C)CCS(=O)(=O)OC(CC)CCC(C)CC","InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1","","2019-06-05","2020-05-22","[(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate","2020-05-27"],["JH4","N-methylpyrimidin-2-amine","C5 H7 N3","CNc1ncccn1;CNc1ncccn1;CNc1ncccn1","InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)","","2018-09-10","2018-10-05","N-methylpyrimidin-2-amine","2018-10-10"],["D2M","4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol","C16 H18 O6","O(c1cc(OC)c(O)c(OC)c1)c2c(OC)cccc2OC;COc1cc(Oc2c(OC)cccc2OC)cc(OC)c1O;COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC","InChI=1S/C16H18O6/c1-18-11-6-5-7-12(19-2)16(11)22-10-8-13(20-3)15(17)14(9-10)21-4/h5-9,17H,1-4H3","","2009-01-19","2011-06-04","4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol",""],["JH5","1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium","C16 H17 N4","n1c[n+](cn1Cc2ccccc2)NCc3ccccc3;C(N[n+]1cnn(Cc2ccccc2)c1)c3ccccc3;c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3","InChI=1S/C16H17N4/c1-3-7-15(8-4-1)11-17-20-13-18-19(14-20)12-16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/q+1","","2015-01-26","2015-03-13","1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium","2015-03-18"],["JH6","N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine","C19 H15 N5","Cc1cccc(n1)Nc1ncc(c2cccnc21)c1cccnc1;Cc1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1;Cc1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4","InChI=1S/C19H15N5/c1-13-5-2-8-17(23-13)24-19-18-15(7-4-10-21-18)16(12-22-19)14-6-3-9-20-11-14/h2-12H,1H3,(H,22,23,24)","","2022-02-01","2022-10-07","N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine","2022-10-12"],["D2N","ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate","C24 H31 N5 O4","O=C(OCC)CCCCCOc1cc(c(OC)cc1)Cc2c(c3c(nc2)nc(nc3N)N)C;CCOC(=O)CCCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1;CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC","InChI=1S/C24H31N5O4/c1-4-32-20(30)8-6-5-7-11-33-18-9-10-19(31-3)16(13-18)12-17-14-27-23-21(15(17)2)22(25)28-24(26)29-23/h9-10,13-14H,4-8,11-12H2,1-3H3,(H4,25,26,27,28,29)","","2010-07-29","2011-06-04","ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate",""],["JH7","1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one","C10 H11 N3 O","c2c(NC=1N(C)NC(C=1)=O)cccc2;CN1NC(=O)C=C1Nc2ccccc2;CN1C(=CC(=O)N1)Nc2ccccc2","InChI=1S/C10H11N3O/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,14)","","2018-09-10","2018-10-05","1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one","2018-10-10"],["D2O","6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine","C24 H25 N5 O2","n1cc(c(c2c1nc(nc2N)N)C)Cc4cc(OCCc3ccccc3)ccc4OC;COc1ccc(OCCc2ccccc2)cc1Cc3cnc4nc(N)nc(N)c4c3C;Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4","InChI=1S/C24H25N5O2/c1-15-18(14-27-23-21(15)22(25)28-24(26)29-23)12-17-13-19(8-9-20(17)30-2)31-11-10-16-6-4-3-5-7-16/h3-9,13-14H,10-12H2,1-2H3,(H4,25,26,27,28,29)","","2010-07-29","2011-06-04","6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine",""],["JH8","2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide","C22 H20 N4 O","CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34;CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4","InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3","","2019-02-25","2020-03-13","2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide","2020-03-18"],["D2P","(2S)-2,3-DICHLOROPROPAN-1-OL","C3 H6 Cl2 O","ClCC(Cl)CO;OC[CH](Cl)CCl;C(C(CCl)Cl)O","InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1","","2004-12-09","2011-06-04","(2S)-2,3-dichloropropan-1-ol",""],["JH9","[4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","C27 H27 F2 N2 O6 P","O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)c(CC=C)c3)cc1;C=CCc1cc(ccc1F)CNC(=O)C(Cc2ccc(cc2)OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F","InChI=1S/C27H27F2N2O6P/c1-2-3-21-14-20(8-13-24(21)29)17-30-27(33)25(31-26(32)16-19-4-9-22(28)10-5-19)15-18-6-11-23(12-7-18)37-38(34,35)36/h2,4-14,25H,1,3,15-17H2,(H,30,33)(H,31,32)(H2,34,35,36)/t25-/m0/s1","","2022-04-27","2023-04-21","[4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","2023-04-26"],["D2Q","ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate","C23 H29 N5 O4","O=C(OCC)CCCCOc1ccc(OC)cc1Cc2c(c3c(nc2)nc(nc3N)N)C;CCOC(=O)CCCCOc1ccc(OC)cc1Cc2cnc3nc(N)nc(N)c3c2C;CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC","InChI=1S/C23H29N5O4/c1-4-31-19(29)7-5-6-10-32-18-9-8-17(30-3)12-15(18)11-16-13-26-22-20(14(16)2)21(24)27-23(25)28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H4,24,25,26,27,28)","","2010-07-19","2011-06-04","ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate",""],["JHA","3-chloro-4-(4-methylpiperidin-1-yl)aniline","C12 H17 Cl N2","c1cc(c(cc1N)Cl)N2CCC(C)CC2;CC1CCN(CC1)c2ccc(N)cc2Cl;CC1CCN(CC1)c2ccc(cc2Cl)N","InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3","","2018-09-10","2018-10-05","3-chloro-4-(4-methylpiperidin-1-yl)aniline","2018-10-10"],["D2R","6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid","C22 H23 N5 O3","O=C(O)CCCC#Cc1ccc(OC)cc1Cc2c(c3c(nc2)nc(nc3N)N)C;COc1ccc(C#CCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1;Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC","InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)10-15-11-17(30-2)9-8-14(15)6-4-3-5-7-18(28)29/h8-9,11-12H,3,5,7,10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)","2,4-Diamino--5-methyl-6-[2'-(4-carboxy-1-pentynyl)-5'-methoxybenzyl]pyrido[2,3-d]pyrimidine","2011-08-24","2021-03-13","6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid",""],["D2S","4,4'-disulfanediyldibenzene-1,3-diol","C12 H10 O4 S2","S(Sc1ccc(O)cc1O)c2ccc(O)cc2O;Oc1ccc(SSc2ccc(O)cc2O)c(O)c1;c1cc(c(cc1O)O)SSc2ccc(cc2O)O","InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H","4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol","2009-08-24","2020-06-17","4,4'-disulfanediyldibenzene-1,3-diol",""],["JHB","7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one","C24 H17 Cl F3 N O2","CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3;CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30)","","2019-02-25","2021-06-25","7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one","2021-06-30"],["D2T","(3R)-3-(methylsulfanyl)-L-aspartic acid","C5 H9 N O4 S","NC(C(=O)O)C(SC)C(=O)O;CS[CH]([CH](N)C(O)=O)C(O)=O;CSC(C(C(=O)O)N)C(=O)O","InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1","","2015-03-02","2024-09-27","(3R)-3-(methylsulfanyl)-L-aspartic acid","2015-03-18"],["JHC","[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone","C26 H29 Cl N6 O2","N3(c2oc1c(cc(cc1)Cl)n2)CC(C(CC)C)N(CCC3)C(=O)c4c(ccc(c4)C)n5nccn5;CC[CH](C)[CH]1CN(CCCN1C(=O)c2cc(C)ccc2n3nccn3)c4oc5ccc(Cl)cc5n4;CCC(C)C1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl","InChI=1S/C26H29ClN6O2/c1-4-18(3)23-16-31(26-30-21-15-19(27)7-9-24(21)35-26)12-5-13-32(23)25(34)20-14-17(2)6-8-22(20)33-28-10-11-29-33/h6-11,14-15,18,23H,4-5,12-13,16H2,1-3H3/t18-,23+/m0/s1","","2019-12-20","2020-07-10","[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone","2020-07-15"],["D2U","(2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid","C36 H35 N3 O4","CN([CH](Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O)C(=O)c5cc(C)cc(C)c5;Cc1cc(cc(c1)C(=O)N(C)C(Cc2ccc(cc2)c3ccccc3)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O)C","InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1","","2019-06-07","2019-07-12","(2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid","2019-07-17"],["JHD","1-(3,4-dimethoxyphenyl)methanamine","C9 H13 N O2","COc1c(OC)ccc(CN)c1;COc1ccc(CN)cc1OC;COc1ccc(cc1OC)CN","InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3","","2018-09-10","2018-10-05","1-(3,4-dimethoxyphenyl)methanamine","2018-10-10"],["JHE","3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one","C24 H18 F3 N O3","CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3;CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F","InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3","","2019-02-25","2021-06-25","3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one","2021-06-30"],["D2V","(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol","C28 H44 O","OC3CC(=C/C=C1CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)/C(=C)CC3;CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C;CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C","InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1","Vitamin D2; Ergocalciferol; Deltalin","2008-04-30","2020-05-27","(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol",""],["JHF","(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one","C29 H32 F N5 O5 S","COc1ccc(cc1F)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCN(C4)S(=O)(=O)C)C5CCCC(=O)N5c6ccc(c(c6)F)OC","InChI=1S/C29H32FN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1","","2022-04-21","2022-07-22","(6~{S})-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one","2022-07-27"],["D2W","4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide","C26 H29 N3 O5","COc1cccc(n1)c2cccc3OC[CH](CNC(=O)c4ccc(OCCN(C)C)cc4)Oc23;CN(C)CCOc1ccc(cc1)C(=O)NCC2COc3cccc(c3O2)c4cccc(n4)OC","InChI=1S/C26H29N3O5/c1-29(2)14-15-32-19-12-10-18(11-13-19)26(30)27-16-20-17-33-23-8-4-6-21(25(23)34-20)22-7-5-9-24(28-22)31-3/h4-13,20H,14-17H2,1-3H3,(H,27,30)/t20-/m1/s1","","2017-12-15","2018-08-31","4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide","2018-09-05"],["JHG","4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide","C28 H31 F3 N4 O3 S","O=S(=O)(N(C2C(NCc1ccc(cc1)C(F)(F)F)CNC2)CCCc3ccccc3)c4ccc(C(=O)N)cc4;NC(=O)c1ccc(cc1)[S](=O)(=O)N(CCCc2ccccc2)[CH]3CNC[CH]3NCc4ccc(cc4)C(F)(F)F;c1ccc(cc1)CCCN(C2CNCC2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N","InChI=1S/C28H31F3N4O3S/c29-28(30,31)23-12-8-21(9-13-23)17-34-25-18-33-19-26(25)35(16-4-7-20-5-2-1-3-6-20)39(37,38)24-14-10-22(11-15-24)27(32)36/h1-3,5-6,8-15,25-26,33-34H,4,7,16-19H2,(H2,32,36)/t25-,26-/m0/s1","","2011-02-01","2012-01-13","4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide",""],["D2X","3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","C12 H18 N3 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)O;Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(O)n1;Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C12H17N3O8P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-15(8)6-10-5-13-9(2)14-12(10)16/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,16,17,18,19,20,21)/p+1","","2008-05-20","2011-06-04","3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["JHH","Cyclostreptin","C24 H34 O5","C[CH]1[CH](O)[CH]2C=C(C)[CH]3C[CH]4[CH]([CH]3[CH]2[CH]1O)[CH]5[CH]6O[C]4(C)CC[CH](OC5=O)[CH]6C;CC1C2CCC3(C4CC5C(C4C(C1O3)C(=O)O2)C6C(C=C5C)C(C(C6O)C)O)C","InChI=1S/C24H34O5/c1-9-7-13-17(21(26)11(3)20(13)25)16-12(9)8-14-18(16)19-22-10(2)15(28-23(19)27)5-6-24(14,4)29-22/h7,10-22,25-26H,5-6,8H2,1-4H3/t10-,11+,12+,13-,14-,15+,16+,17+,18-,19-,20+,21-,22-,24+/m1/s1","","2019-02-26","2024-09-27","","2019-04-03"],["D2Y","methyl 2-acetamido-4-O-{2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranoside","C20 H32 N2 O13","CC(=O)NC1C(O)C(OC2OC3COC(C)(OC3C(O)C2NC(C)=O)C(=O)O)C(CO)OC1OC;CO[CH]1O[CH](CO)[CH](O[CH]2O[CH]3CO[C](C)(O[CH]3[CH](O)[CH]2NC(C)=O)C(O)=O)[CH](O)[CH]1NC(C)=O;CC(=O)NC1C(C2C(COC(O2)(C)C(=O)O)OC1OC3C(OC(C(C3O)NC(=O)C)OC)CO)O","InChI=1S/C20H32N2O13/c1-7(24)21-11-13(26)15(9(5-23)32-17(11)30-4)34-18-12(22-8(2)25)14(27)16-10(33-18)6-31-20(3,35-16)19(28)29/h9-18,23,26-27H,5-6H2,1-4H3,(H,21,24)(H,22,25)(H,28,29)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,20+/m1/s1","","2021-11-24","2022-03-04","methyl 2-acetamido-4-O-{2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranoside","2022-03-09"],["D2Z","2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium","C20 H25 N2 O4","C[NH+](C)CCOc1ccc(cc1)C(=O)NC[CH]2COc3ccccc3O2;C[NH+](C)CCOc1ccc(cc1)C(=O)NCC2COc3ccccc3O2","InChI=1S/C20H24N2O4/c1-22(2)11-12-24-16-9-7-15(8-10-16)20(23)21-13-17-14-25-18-5-3-4-6-19(18)26-17/h3-10,17H,11-14H2,1-2H3,(H,21,23)/p+1/t17-/m1/s1","","2017-12-15","2018-08-17","2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium","2018-08-22"],["JHI","(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine","C12 H15 Cl N4","Cc1c(C)nc2c(cc(Cl)nn12)N1CCCC1;Cc1nc2n(nc(Cl)cc2N3CCCC3)c1C;Cc1c(n2c(n1)c(cc(n2)Cl)N3CCCC3)C","InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3","","2022-02-01","2022-10-07","(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine","2022-10-12"],["D3","1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-4-(3-BENZAMIDO)PHENYLIMIDAZOLE","C21 H22 N3 O7 P","O=C(c1ccccc1)Nc4cccc(c2ncn(c2)C3OC(C(O)C3)COP(=O)(O)O)c4;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc(c2)c3cccc(NC(=O)c4ccccc4)c3;c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C21H22N3O7P/c25-18-10-20(31-19(18)12-30-32(27,28)29)24-11-17(22-13-24)15-7-4-8-16(9-15)23-21(26)14-5-2-1-3-6-14/h1-9,11,13,18-20,25H,10,12H2,(H,23,26)(H2,27,28,29)/t18-,19+,20+/m0/s1","","1999-07-08","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-{3-[(phenylcarbonyl)amino]phenyl}-1H-imidazole",""],["JHJ","N-(4-methoxyphenyl)-N'-pyridin-4-ylurea","C13 H13 N3 O2","C(=O)(Nc1ccncc1)Nc2ccc(cc2)OC;COc1ccc(NC(=O)Nc2ccncc2)cc1;COc1ccc(cc1)NC(=O)Nc2ccncc2","InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)","","2018-09-10","2018-10-05","N-(4-methoxyphenyl)-N'-pyridin-4-ylurea","2018-10-10"],["JHK","~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide","C21 H19 N5 O","CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34;CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4","InChI=1S/C21H19N5O/c1-25(2)21(27)14-26-13-18(10-24-26)15-3-5-16(6-4-15)19-12-23-9-17-7-8-22-11-20(17)19/h3-13H,14H2,1-2H3","","2019-02-26","2020-03-13","~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide","2020-03-18"],["D30","[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid","C31 H29 F3 O5 S","FC(F)(F)c4ccc(OCc3ccc(Sc1c2c(c(OCC(=O)O)cc1)CCCC2)c(OCC#CCC)c3)cc4;CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc3ccc(OCC(O)=O)c4CCCCc34;CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F","InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)","","2009-04-13","2011-06-04","[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid",""],["JHL","(6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one","C30 H32 F2 N4 O3","CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccc(F)c(F)c6;Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6ccc(c(c6)F)F","InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22-,27-/m0/s1","CCS1477; Inobrodib","2022-04-21","2022-07-22","(6~{S})-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one","2022-07-27"],["D31","2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE","C24 H31 N5 O2","O=C(Nc3cccc2c1nnc(c1C(=O)c23)C4CCCCC4)CN5CCC(CC5)CN;NCC1CCN(CC1)CC(=O)Nc2cccc3c4n[nH]c(C5CCCCC5)c4C(=O)c23;c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5","InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)","DIN-101312","2005-09-28","2020-06-17","2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide",""],["JHM","2-deoxy-6-O-sulfo-alpha-D-glucopyranose","C6 H12 O8 S","O=S(=O)(O)OCC1OC(O)CC(O)C1O;O[CH]1C[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)O1;C1C(C(C(OC1O)COS(=O)(=O)O)O)O","InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1","2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose; 2-deoxy-6-O-sulfo-alpha-D-glucose; 2-deoxy-6-O-sulfo-D-glucose;\n2-deoxy-6-O-sulfo-glucose","2010-09-27","2020-07-17","2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose",""],["D32","(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid","C27 H23 F3 O5 S","FC(F)(F)c3ccc(OCc2ccc(Sc1c(c(c(OCC(=O)O)cc1)C)C)c(OCC#C)c2)cc3;Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O;Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C","InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)","","2009-04-07","2011-06-04","(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid",""],["D33","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole","C8 H13 N2 O6 P","O=P(O)(O)OCC2OC(n1cncc1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccnc2;c1cn(cn1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C8H13N2O6P/c11-6-3-8(10-2-1-9-5-10)16-7(6)4-15-17(12,13)14/h1-2,5-8,11H,3-4H2,(H2,12,13,14)/t6-,7+,8+/m0/s1","","2008-07-09","2011-06-04","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole",""],["JHN","(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione","C24 H28 N6 O3","O=C1C=CC2=C3N1C[CH](CN4CCC(CC4)NCc5cc6CCCOc6cn5)N3C(=O)C=N2;c1c2c(cnc1CNC3CCN(CC3)CC4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2","InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1","","2019-02-26","2019-03-08","(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione","2019-03-13"],["JHO","(2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol","C18 H20 N6 O","CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12;CCc1nnc2n1nc(cc2)NC(Cc3c[nH]c4c3cccc4)CO","InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1","","2022-08-11","2023-01-13","(2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol","2023-01-18"],["D34","2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN","C26 H32 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC3CCC3)c4ccc(cc4)C(N)NC5CCC5;N[CH](NC1CCC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5CCC5;c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5","InChI=1S/C26H32N4O/c27-25(29-21-3-1-4-21)19-11-7-17(8-12-19)23-15-16-24(31-23)18-9-13-20(14-10-18)26(28)30-22-5-2-6-22/h7-16,21-22,25-26,29-30H,1-6,27-28H2/t25-,26+","","2000-08-29","2011-06-04","(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclobutylmethanediamine)",""],["JHP","4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide","C10 H14 Cl N3 O","C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2;Cn1cc(Cl)c(n1)C(=O)NC2CCCC2;Cn1cc(c(n1)C(=O)NC2CCCC2)Cl","InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)","","2018-09-10","2018-10-05","4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide","2018-10-10"],["D35","2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN","C30 H40 N4 O","o1c(ccc1c2ccc(cc2)C(N)NC3CCCCC3)c4ccc(cc4)C(N)NC5CCCCC5;N[CH](NC1CCCCC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5CCCCC5;c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5","InChI=1S/C30H40N4O/c31-29(33-25-7-3-1-4-8-25)23-15-11-21(12-16-23)27-19-20-28(35-27)22-13-17-24(18-14-22)30(32)34-26-9-5-2-6-10-26/h11-20,25-26,29-30,33-34H,1-10,31-32H2/t29-,30?/m0/s1","","2000-08-29","2011-06-04","(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclohexylmethanediamine)",""],["D36","N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide","C20 H28 N8 O2 S","O=S(=O)(N(c1ncc(cc1)Nc2ncc3c(n2)n(nc3)C4CCCCCC4)CCN)C;C[S](=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1;CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4","InChI=1S/C20H28N8O2S/c1-31(29,30)27(11-10-21)18-9-8-16(14-22-18)25-20-23-12-15-13-24-28(19(15)26-20)17-6-4-2-3-5-7-17/h8-9,12-14,17H,2-7,10-11,21H2,1H3,(H,23,25,26)","","2011-03-14","2011-08-05","N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide",""],["JHR","[4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","C24 H23 F2 N2 O6 P","O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)cc3)cc1;c1cc(ccc1CC(C(=O)NCc2ccc(cc2)F)NC(=O)Cc3ccc(cc3)F)OP(=O)(O)O","InChI=1S/C24H23F2N2O6P/c25-19-7-1-17(2-8-19)14-23(29)28-22(24(30)27-15-18-3-9-20(26)10-4-18)13-16-5-11-21(12-6-16)34-35(31,32)33/h1-12,22H,13-15H2,(H,27,30)(H,28,29)(H2,31,32,33)/t22-/m0/s1","","2022-04-27","2023-04-21","[4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","2023-04-26"],["JHS","N-[(4-phenyloxan-4-yl)methyl]acetamide","C14 H19 N O2","C1OCCC(CNC(C)=O)(C1)c2ccccc2;CC(=O)NCC1(CCOCC1)c2ccccc2;CC(=O)NCC1(CCOCC1)c2ccccc2","InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16)","","2018-09-10","2018-10-05","N-[(4-phenyloxan-4-yl)methyl]acetamide","2018-10-10"],["D37","N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide","C18 H23 N7 O2 S","O=S(=O)(Nc1ncc(cc1)Nc2ncc3c(n2)n(nc3)C4CCCCCC4)C;C[S](=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1;CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4","InChI=1S/C18H23N7O2S/c1-28(26,27)24-16-9-8-14(12-19-16)22-18-20-10-13-11-21-25(17(13)23-18)15-6-4-2-3-5-7-15/h8-12,15H,2-7H2,1H3,(H,19,24)(H,20,22,23)","","2011-03-14","2011-08-05","N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide",""],["JHT","7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine","C19 H22 N4","CN(C)c1cccc(CNCc2ccc3ccc(N)nc3c2)c1;CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N","InChI=1S/C19H22N4/c1-23(2)17-5-3-4-14(10-17)12-21-13-15-6-7-16-8-9-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)","","2016-06-18","2016-09-16","7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine","2016-09-21"],["D38","N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine","C22 H31 N5 O5","O=C(O)C(NC(=O)C(C(C)C)Cc1nnn(c1)Cc2ccc(C(=O)O)cc2)CCCCN;CC(C)[CH](Cc1cn(Cc2ccc(cc2)C(O)=O)nn1)C(=O)N[CH](CCCCN)C(O)=O;CC(C)C(Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)NC(CCCCN)C(=O)O","InChI=1S/C22H31N5O5/c1-14(2)18(20(28)24-19(22(31)32)5-3-4-10-23)11-17-13-27(26-25-17)12-15-6-8-16(9-7-15)21(29)30/h6-9,13-14,18-19H,3-5,10-12,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t18-,19-/m0/s1","","2009-02-02","2011-06-04","N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine",""],["JHU","[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol","C14 H14 Cl N5 O","CNc1nc(Cl)nc2n(Cc3ccc(CO)cc3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccc(cc3)CO","InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19)","","2023-08-07","2023-12-01","[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol","2023-12-06"],["D39","(2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","C40 H76 N O10 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36-,37+/m1/s1","","2019-06-12","2019-08-23","(2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid","2019-08-28"],["JHV","4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine","C11 H10 Cl N3","c1(ccncc1)Nc2ccc(cc2N)Cl;Nc1cc(Cl)ccc1Nc2ccncc2;c1cc(c(cc1Cl)N)Nc2ccncc2","InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)","","2018-09-10","2018-10-05","4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine","2018-10-10"],["D3A","(1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic\nacid","C29 H31 Cl N2 O6","O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5;COc1cccc([CH]2O[CH](CC(=O)N3CC[CH](CC3)CC(O)=O)c4cccn4c5ccc(Cl)cc25)c1OC;COc1cccc(c1OC)C2c3cc(ccc3-n4cccc4C(O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl","InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1","2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet\nic acid","2012-01-11","2020-06-17","(1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid","2012-12-14"],["JHW","8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one","C17 H12 N4 O S","O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5;c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5","InChI=1S/C17H12N4OS/c22-17-14-12(19-9-21(17)11-3-4-11)5-6-13-15(14)23-16(20-13)10-2-1-7-18-8-10/h1-2,5-9,11H,3-4H2","","2019-02-27","2020-03-13","8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one","2020-03-18"],["D3B","1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea","C15 H17 N3 O4 S","Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1;Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C","InChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)","","2017-12-15","2018-10-05","1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea","2018-10-10"],["JHX","N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide","C18 H20 Cl N5 O2","COc1ncc(nc1C(=O)NC1CCN(C1)c1ncc(Cl)cc1)C1CC1;COc1ncc(nc1C(=O)N[CH]2CCN(C2)c3ccc(Cl)cn3)C4CC4;COc1c(nc(cn1)C2CC2)C(=O)NC3CCN(C3)c4ccc(cn4)Cl","InChI=1S/C18H20ClN5O2/c1-26-18-16(23-14(9-21-18)11-2-3-11)17(25)22-13-6-7-24(10-13)15-5-4-12(19)8-20-15/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,22,25)","","2022-02-01","2022-10-07","N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide","2022-10-12"],["D3C","N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide","C19 H20 F6 N4 O","Fc1cc(c(F)cc1F)CC(N)CCNC(=O)N3Cc2ccc(n2CC3)C(F)(F)F;N[CH](CCNC(=O)N1CCn2c(C1)ccc2C(F)(F)F)Cc3cc(F)c(F)cc3F;c1cc(n2c1CN(CC2)C(=O)NCCC(Cc3cc(c(cc3F)F)F)N)C(F)(F)F","InChI=1S/C19H20F6N4O/c20-14-9-16(22)15(21)8-11(14)7-12(26)3-4-27-18(30)28-5-6-29-13(10-28)1-2-17(29)19(23,24)25/h1-2,8-9,12H,3-7,10,26H2,(H,27,30)/t12-/m0/s1","","2013-02-08","2014-01-31","N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide","2014-02-05"],["JHY","3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID","C10 H7 Cl2 N O4","OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12;c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O","InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)","","2015-11-10","2016-01-08","3-[5,6-bis(chloranyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]propanoic acid","2016-01-13"],["D3D","(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate","C40 H77 O10 P","P(OCC(O)CO)(O)(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=CCCCCCCCC)=O)=O;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17+/t37-,38+/m1/s1","","2017-10-16","2017-10-27","(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate","2017-11-01"],["D3E","N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide","C24 H27 F3 N2 O2","FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C2CC2)C4CCC(c3cccnc3)CC4)C;C[C](O)(c1ccc(cc1)C(=O)N(C2CC2)[CH]3CC[CH](CC3)c4cccnc4)C(F)(F)F;CC(c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O","InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1","","2008-05-12","2011-06-04","N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",""],["JHZ","(2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C17 H27 N3 O13 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(N)(C3)C)C)O)O)C;C[CH]1O[CH](C[C](C)(N)C1=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1C(=O)C(CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)(C)N","InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10+,11-,12-,13-,17+/m1/s1","","2010-06-08","2012-05-16","(2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["JI0","[4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","C26 H27 F2 N2 O6 P","CCc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F;CCc1cc(ccc1F)CNC(=O)C(Cc2ccc(cc2)OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F","InChI=1S/C26H27F2N2O6P/c1-2-20-13-19(7-12-23(20)28)16-29-26(32)24(30-25(31)15-18-3-8-21(27)9-4-18)14-17-5-10-22(11-6-17)36-37(33,34)35/h3-13,24H,2,14-16H2,1H3,(H,29,32)(H,30,31)(H2,33,34,35)/t24-/m0/s1","","2022-04-27","2023-04-21","[4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","2023-04-26"],["D3F","2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE","C14 H7 Cl2 F3 N2 O6 S","2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene;Cc1cc(c(Cl)cc1Cl)[S](=O)(=O)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O;Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3","2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL) BENZENE","2006-05-15","2021-03-13","2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone",""],["D3G","(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE","C10 H10 N2 O","n2cc(c1oc(cc1)CN)ccc2;NCc1oc(cc1)c2cccnc2;c1cc(cnc1)c2ccc(o2)CN","InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2","","2005-12-15","2011-06-04","1-(5-pyridin-3-ylfuran-2-yl)methanamine",""],["JI1","3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol","C13 H22 N4 O","n1c(N)cccc1CC2CNCC2NCCCO;Nc1cccc(C[CH]2CNC[CH]2NCCCO)n1;c1cc(nc(c1)N)CC2CNCC2NCCCO","InChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1","(+-)-3-{cis-4'-[(6\"-aminopyridin-2\"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol","2007-10-23","2020-06-17","3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol",""],["JI2","N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine","C12 H21 N5","n1c(N)cccc1CC2CNCC2NCCN;NCCN[CH]1CNC[CH]1Cc2cccc(N)n2;c1cc(nc(c1)N)CC2CNCC2NCCN","InChI=1S/C12H21N5/c13-4-5-16-11-8-15-7-9(11)6-10-2-1-3-12(14)17-10/h1-3,9,11,15-16H,4-8,13H2,(H2,14,17)/t9-,11+/m0/s1","(+-)-N1-{cis-4'-[(6\"-aminopyridin-2\"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine","2007-10-23","2021-03-13","N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine",""],["D3H","~{N}-(4-aminophenyl)-2-azanyl-ethanamide","C8 H11 N3 O","NCC(=O)Nc1ccc(N)cc1;c1cc(ccc1N)NC(=O)CN","InChI=1S/C8H11N3O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,9-10H2,(H,11,12)","","2017-12-16","2018-03-16","~{N}-(4-aminophenyl)-2-azanyl-ethanamide","2018-03-21"],["JI3","N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE","C20 H28 Cl N5","Clc1ccc(cc1)CNCCNC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCc3ccc(Cl)cc3)c1;Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3ccc(cc3)Cl","InChI=1S/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1","","2006-12-13","2011-06-04","N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(4-chlorobenzyl)ethane-1,2-diamine",""],["D3I","octaaqua-dirhodium (II, II) fragment","H2 O2 Rh2","O[Rh](O)[Rh];O[Rh](O)[Rh]","InChI=1S/2H2O.2Rh/h2*1H2;;/q;;;+2/p-2","","2021-12-14","2022-08-22","bis(oxidanyl)-rhodio-rhodium","2022-06-08"],["D3J","(2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one","C26 H18 Cl F N2 O3 S2","c1c(ccc(c1)F)Oc5cccc(C2(CC(=C(C(=O)N2)Sc3c(Cl)cccc3)O)c4ccsc4)n5;OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4cccc(Oc5ccc(F)cc5)n4;c1ccc(c(c1)SC2=C(CC(NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl","InChI=1S/C26H18ClFN2O3S2/c27-19-4-1-2-5-21(19)35-24-20(31)14-26(30-25(24)32,16-12-13-34-15-16)22-6-3-7-23(29-22)33-18-10-8-17(28)9-11-18/h1-13,15,31H,14H2,(H,30,32)/t26-/m1/s1","","2017-10-17","2018-10-19","(2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one","2018-10-24"],["JI4","N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine","C21 H30 F N5","Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(c3)F","InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1","N1-[(3' S,4' S)-4'-((6\"-amino-4\"-methylpyridin-2\"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride","2009-09-22","2021-03-13","N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine",""],["JI5","N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine","C21 H30 F N5","Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCCc3cccc(F)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(c3)F","InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1","N1-{(3'R,4'R)-4'-[(6\"-amino-4\"-methylpyridin-2\"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine\ntetrahydrochloride","2009-09-23","2020-06-17","N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine",""],["D3K","(2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine","C20 H25 N O2","COCCOc1ccccc1[CH]([CH]2CCCN2)c3ccccc3;COCCOc1ccccc1C(c2ccccc2)C3CCCN3","InChI=1S/C20H25NO2/c1-22-14-15-23-19-12-6-5-10-17(19)20(18-11-7-13-21-18)16-8-3-2-4-9-16/h2-6,8-10,12,18,20-21H,7,11,13-15H2,1H3/t18-,20-/m1/s1","","2017-12-18","2024-09-27","(2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine","2018-05-16"],["JI6","(6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one","C11 H11 Cu N O4","C[CH](O)[CH]1N=Cc2ccccc2O[Cu]OC1=O;CC(C1C(=O)O[Cu]2[N]1=Cc3ccccc3O2)O","InChI=1S/C11H13NO4.Cu/c1-7(13)10(11(15)16)12-6-8-4-2-3-5-9(8)14;/h2-7,10,13-14H,1H3,(H,15,16);/q;+2/p-2/b12-6+;/t7-,10+;/m1./s1","","2022-08-16","2023-05-05","(6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one","2023-05-10"],["D3L","(5-methoxy-1H-indol-2-yl)-phenyl-methanone","C16 H13 N O2","COc1ccc2[nH]c(cc2c1)C(=O)c3ccccc3;COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3","InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3","","2019-06-19","2019-08-23","(5-methoxy-1~{H}-indol-2-yl)-phenyl-methanone","2019-08-28"],["JI7","N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine","C20 H28 Cl N5","Clc1cccc(c1)CNCCNC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCc3cccc(Cl)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3cccc(c3)Cl","InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1","(+-)-N1-{trans-4'-[(6\"-amino-4\"-methylpyridin-2\"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine","2007-10-23","2021-03-13","N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine",""],["D3M","3,6-dichloro-2-methoxybenzoic acid","C8 H6 Cl2 O3","Clc1ccc(Cl)c(c1OC)C(=O)O;COc1c(Cl)ccc(Cl)c1C(O)=O;COc1c(ccc(c1C(=O)O)Cl)Cl","InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)","Dicamba","2009-02-20","2020-06-17","3,6-dichloro-2-methoxybenzoic acid",""],["JI8","~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide","C22 H23 N8 O3","CN1NCC(=C1C(=O)Nc2cc[n]3CC(=Nc3n2)c4ccccc4)C(=O)NCC5=NCCO5;CN1C(=C(CN1)C(=O)NCC2=NCCO2)C(=O)NC3=NC4=[N](CC(=N4)c5ccccc5)C=C3","InChI=1S/C22H23N8O3/c1-29-19(15(11-25-29)20(31)24-12-18-23-8-10-33-18)21(32)27-17-7-9-30-13-16(26-22(30)28-17)14-5-3-2-4-6-14/h2-7,9,25H,8,10-13H2,1H3,(H,24,31)(H,27,28,32)","","2022-02-01","2022-10-07","~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide","2022-10-12"],["D3N","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one","C16 H17 N2 O7 P","O=P(O)(O)OCC4OC(N1C(=O)Nc3c2c1cccc2ccc3)CC4O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)Nc3cccc4cccc2c34;c1cc2cccc3c2c(c1)NC(=O)N3C4CC(C(O4)COP(=O)(O)O)O","InChI=1S/C16H17N2O7P/c19-12-7-14(25-13(12)8-24-26(21,22)23)18-11-6-2-4-9-3-1-5-10(15(9)11)17-16(18)20/h1-6,12-14,19H,7-8H2,(H,17,20)(H2,21,22,23)/t12-,13+,14+/m0/s1","","2012-11-02","2013-06-07","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one","2013-06-12"],["D3O","trideuteriooxidanium","D3 O","[2H][O+]([2H])[2H];[O+]([2H])([2H])[2H];[2H][O+]([2H])[2H]","InChI=1S/H2O/h1H2/p+1/i/hD3","perdeuterated oxonium","2012-04-20","2021-06-01","(~2~H_3_)oxonium","2013-01-11"],["JI9","[4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","C25 H25 F2 N2 O6 P","Cc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F;Cc1cc(ccc1F)CNC(=O)C(Cc2ccc(cc2)OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F","InChI=1S/C25H25F2N2O6P/c1-16-12-19(6-11-22(16)27)15-28-25(31)23(29-24(30)14-18-2-7-20(26)8-3-18)13-17-4-9-21(10-5-17)35-36(32,33)34/h2-12,23H,13-15H2,1H3,(H,28,31)(H,29,30)(H2,32,33,34)/t23-/m0/s1","","2022-04-27","2023-04-21","[4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","2023-04-26"],["D3P","(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID","C8 H9 N O4","O=C(O)C(c1cc(O)cc(O)c1)N;N[CH](C(O)=O)c1cc(O)cc(O)c1;c1c(cc(cc1O)O)C(C(=O)O)N","InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1","","2004-09-08","2024-09-27","(2R)-amino(3,5-dihydroxyphenyl)ethanoic acid",""],["JIA","(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azany\nl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol","C19 H39 N5 O9","CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O;CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)N)N)N)O","InChI=1S/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,20-23H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1","JI-20A","2018-02-02","2020-06-17","(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol","2019-01-16"],["JIB","4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid","C14 H12 Cl N5 O2","CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(O)=O)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccc(cc3)C(=O)O","InChI=1S/C14H12ClN5O2/c1-16-11-10-12(19-14(15)18-11)20(7-17-10)6-8-2-4-9(5-3-8)13(21)22/h2-5,7H,6H2,1H3,(H,21,22)(H,16,18,19)","","2023-08-07","2023-12-01","4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid","2023-12-06"],["D3Q","(2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine","C18 H21 N O","COc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3;COc1cccc(c1)C(c2ccccc2)C3CCCN3","InChI=1S/C18H21NO/c1-20-16-10-5-9-15(13-16)18(17-11-6-12-19-17)14-7-3-2-4-8-14/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18-/m1/s1","","2017-12-18","2024-09-27","(2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine","2018-05-16"],["JIC","N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C22 H20 N6 O2","O=C(NC1CC1)c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1;Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc3ccn4cc(nc4c3)c5ccccc5;Cn1c(c(cn1)C(=O)NC2CC2)C(=O)Nc3ccn4cc(nc4c3)c5ccccc5","InChI=1S/C22H20N6O2/c1-27-20(17(12-23-27)21(29)24-15-7-8-15)22(30)25-16-9-10-28-13-18(26-19(28)11-16)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,24,29)(H,25,30)","","2022-02-01","2022-10-07","N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["D3R","~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate","C30 H32 N2 O6 S","CC(C)(C)OC(=O)N1CC[C]2([CH]1c3cccc(c3)c4ccc(CO)c(c4)[S](C)(=O)=O)C(=O)Nc5ccccc25;CC(C)(C)OC(=O)N1CCC2(C1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O","InChI=1S/C30H32N2O6S/c1-29(2,3)38-28(35)32-15-14-30(23-10-5-6-11-24(23)31-27(30)34)26(32)21-9-7-8-19(16-21)20-12-13-22(18-33)25(17-20)39(4,36)37/h5-13,16-17,26,33H,14-15,18H2,1-4H3,(H,31,34)/t26-,30-/m1/s1","","2019-06-19","2020-04-17","~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate","2020-04-22"],["JIE","[(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate","C17 H26 N6 O7 S","CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23;CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ccnc3N)O)O)N","InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1","","2022-08-17","2024-02-02","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate","2024-02-07"],["D3S","(6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one","C23 H17 Cl O4 S","c4ccc(SC=2C(OC(c1ccccc1O)(CC=2O)c3ccccc3)=O)c(c4)Cl;OC1=C(Sc2ccccc2Cl)C(=O)O[C](C1)(c3ccccc3)c4ccccc4O;c1ccc(cc1)C2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O","InChI=1S/C23H17ClO4S/c24-17-11-5-7-13-20(17)29-21-19(26)14-23(28-22(21)27,15-8-2-1-3-9-15)16-10-4-6-12-18(16)25/h1-13,25-26H,14H2/t23-/m0/s1","","2017-10-17","2018-10-19","(6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one","2018-10-24"],["D3T","2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE","C10 H17 N2 O13 P3","CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1","","2004-06-28","2011-06-04","(hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",""],["JIF","3,4,5-tris(fluoranyl)phenol","C6 H3 F3 O","Oc1cc(F)c(F)c(F)c1;c1c(cc(c(c1F)F)F)O","InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H","","2016-10-31","2017-07-07","3,4,5-tris(fluoranyl)phenol","2017-07-12"],["D3U","2-PCPA derivative","C36 H41 N9 O15 P2","Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C=CN7c2cc1C)c8ccccc8;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C34N2C=CC4c5ccccc5)CC(C(C(COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O)O","InChI=1S/C36H41N9O15P2/c1-17-10-21-22(11-18(17)2)45-9-8-20(19-6-4-3-5-7-19)36(45)33(41-35(52)42-34(36)51)43(21)12-23(46)27(48)24(47)13-57-61(53,54)60-62(55,56)58-14-25-28(49)29(50)32(59-25)44-16-40-26-30(37)38-15-39-31(26)44/h3-11,15-16,20,23-25,27-29,32,46-50H,12-14H2,1-2H3,(H,53,54)(H,55,56)(H2,37,38,39)(H,42,51,52)/t20-,23-,24+,25+,27-,28+,29+,32+,36-/m0/s1","","2019-06-20","2020-05-15","","2020-05-20"],["JIG","2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline","C19 H18 N4 O S","Cc1c(OC)c(C)cnc1CSc1nc2ccc3cccnc3c2[NH]1;COc1c(C)cnc(CSc2[nH]c3c(ccc4cccnc34)n2)c1C;Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3nccc4","InChI=1S/C19H18N4OS/c1-11-9-21-15(12(2)18(11)24-3)10-25-19-22-14-7-6-13-5-4-8-20-16(13)17(14)23-19/h4-9H,10H2,1-3H3,(H,22,23)","","2022-02-01","2022-10-07","2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline","2022-10-12"],["JIH","[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","C26 H26 Cl F N3 O7 P","O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3cccc(NC(=O)CCl)c3)cc1;c1cc(cc(c1)NC(=O)CCl)CNC(=O)C(Cc2ccc(cc2)OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F","InChI=1S/C26H26ClFN3O7P/c27-15-25(33)30-21-3-1-2-19(12-21)16-29-26(34)23(31-24(32)14-18-4-8-20(28)9-5-18)13-17-6-10-22(11-7-17)38-39(35,36)37/h1-12,23H,13-16H2,(H,29,34)(H,30,33)(H,31,32)(H2,35,36,37)/t23-/m0/s1","","2022-04-27","2024-09-27","[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate","2023-04-26"],["D3V"," 1a,20S-dihydroxyvitamin D3","C27 H44 O3","CC(C)CCC[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC(C)CCCC(C)(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O","InChI=1S/C27H44O3/c1-18(2)8-6-15-27(5,30)25-13-12-23-20(9-7-14-26(23,25)4)10-11-21-16-22(28)17-24(29)19(21)3/h10-11,18,22-25,28-30H,3,6-9,12-17H2,1-2,4-5H3/b20-10+,21-11-/t22-,23+,24+,25+,26+,27+/m1/s1","","2017-01-21","2017-11-24","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2017-11-29"],["JII","2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine","C14 H14 Cl N5 O","CNc1nc(Cl)nc2n(Cc3cccc(OC)c3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)OC","InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-4-3-5-10(6-9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)","","2023-08-07","2023-12-01","2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine","2023-12-06"],["D3W","(2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine","C18 H21 N O","COc1ccccc1[CH]([CH]2CCCN2)c3ccccc3;COc1ccccc1C(c2ccccc2)C3CCCN3","InChI=1S/C18H21NO/c1-20-17-12-6-5-10-15(17)18(16-11-7-13-19-16)14-8-3-2-4-9-14/h2-6,8-10,12,16,18-19H,7,11,13H2,1H3/t16-,18-/m1/s1","","2017-12-18","2024-09-27","(2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine","2018-05-16"],["JIJ","4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine","C10 H12 N4","n1cnc(c2cc[NH]c12)N1CCCC1;C1CCN(C1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCC3","InChI=1S/C10H12N4/c1-2-6-14(5-1)10-8-3-4-11-9(8)12-7-13-10/h3-4,7H,1-2,5-6H2,(H,11,12,13)","","2022-02-01","2022-10-07","4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine","2022-10-12"],["D3X","N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide","C17 H26 N2 O11 S","O=S(=O)(c1ccc(OC)cc1)N(CCOC2OC(C(O)C(O)C2O)CO)CC(=O)NO;COc1ccc(cc1)[S](=O)(=O)N(CCO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)CC(=O)NO;COc1ccc(cc1)S(=O)(=O)N(CCOC2C(C(C(C(O2)CO)O)O)O)CC(=O)NO","InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1","","2010-06-01","2011-06-04","N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide",""],["JIK","1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid","C12 H13 N3 O2","OC(=O)c1cnc2n(ncc2c1)C3CCCC3;c1c2cnn(c2ncc1C(=O)O)C3CCCC3","InChI=1S/C12H13N3O2/c16-12(17)9-5-8-7-14-15(11(8)13-6-9)10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,17)","","2022-04-27","2022-08-22","1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid","2022-07-13"],["D3Y","3'-deoxy-3'-(D-tyrosylamino)adenosine","C19 H23 N7 O5","O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)Cc4ccc(O)cc4;N[CH](Cc1ccc(O)cc1)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(N)ncnc34;c1cc(ccc1CC(C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N)CO)N)O","InChI=1S/C19H23N7O5/c20-11(5-9-1-3-10(28)4-2-9)18(30)25-13-12(6-27)31-19(15(13)29)26-8-24-14-16(21)22-7-23-17(14)26/h1-4,7-8,11-13,15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12-,13-,15-,19-/m1/s1","","2013-11-06","2013-12-13","3'-deoxy-3'-(D-tyrosylamino)adenosine","2013-12-18"],["D3Z","1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione","C9 H12 N2 O5","O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)C;C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O","InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1","","2008-05-14","2011-06-04","1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione",""],["JIL","9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine","C22 H28 N8 O5 S","[O-][N+](=O)c1ccc2c(c1)CNC(C2)CNCCSCC5OC(n4cnc3c(ncnc34)N)C(O)C5O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCNC[CH]4Cc5ccc(cc5CN4)[N+]([O-])=O)[CH](O)[CH]3O;c1cc2c(cc1[N+](=O)[O-])CNC(C2)CNCCSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C22H28N8O5S/c23-20-17-21(27-10-26-20)29(11-28-17)22-19(32)18(31)16(35-22)9-36-4-3-24-8-14-5-12-1-2-15(30(33)34)6-13(12)7-25-14/h1-2,6,10-11,14,16,18-19,22,24-25,31-32H,3-5,7-9H2,(H2,23,26,27)/t14-,16-,18+,19+,22+/m0/s1","","2013-09-10","2014-09-05","9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine","2014-09-10"],["JIM","(2R)-2,3-dihydroxypropyl acetate","C5 H10 O4","CC(=O)OC[CH](O)CO;CC(=O)OCC(CO)O","InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m1/s1","(1R)-1-glycerol acetate","2009-11-19","2021-03-01","[(2R)-2,3-dihydroxypropyl] ethanoate",""],["D40","~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate","C22 H24 N2 O3","CC(C)(C)OC(=O)N1CC[C]2([CH]1c3ccccc3)C(=O)Nc4ccccc24;CC(C)(C)OC(=O)N1CCC2(C1c3ccccc3)c4ccccc4NC2=O","InChI=1S/C22H24N2O3/c1-21(2,3)27-20(26)24-14-13-22(18(24)15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-19(22)25/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-,22-/m0/s1","","2019-06-20","2020-04-17","~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate","2020-04-22"],["JIN","6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE","C21 H15 Cl2 F N4 O","Fc1c(cc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(Cl)cccc4Cl)C)C;CN1C(=O)C(=Cc2cnc(Nc3ccc(F)c(C)c3)nc12)c4c(Cl)cccc4Cl;Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C","InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)","PD180970","2006-08-10","2021-03-01","6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one",""],["D41","7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide","C16 H18 N6 O","O=C(N)c1cc2c(nc(nc2nc1N)C(C)(C)C)c3cccn3;CC(C)(C)c1nc2nc(N)c(cc2c(n1)c3[nH]ccc3)C(N)=O;CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3","InChI=1S/C16H18N6O/c1-16(2,3)15-20-11(10-5-4-6-19-10)8-7-9(13(18)23)12(17)21-14(8)22-15/h4-7,19H,1-3H3,(H2,18,23)(H2,17,20,21,22)","","2014-12-04","2015-10-09","7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide","2015-10-14"],["D42","1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA","C21 H23 N7 O2 S","O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C;CN1CCN(CC1)NC(=O)Nc2cccc3c4n[nH]c(c5sc(C)nc5C)c4C(=O)c23;Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C","InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)","DPH-042562","2005-09-28","2021-03-01","1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-methylpiperazin-1-yl)urea",""],["JIP","N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine","C18 H20 N8","Cn1nc(nc1N(C)Cc1nc2c(C)ncc(C)n2n1)c1ccccc1;CN(Cc1nn2c(C)cnc(C)c2n1)c3nc(nn3C)c4ccccc4;Cc1cnc(c2n1nc(n2)CN(C)c3nc(nn3C)c4ccccc4)C","InChI=1S/C18H20N8/c1-12-10-19-13(2)17-20-15(22-26(12)17)11-24(3)18-21-16(23-25(18)4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3","","2022-02-01","2022-10-14","N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine","2022-10-19"],["JIR","3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile","C14 H11 Cl N6","CNc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C#N","InChI=1S/C14H11ClN6/c1-17-12-11-13(20-14(15)19-12)21(8-18-11)7-10-4-2-3-9(5-10)6-16/h2-5,8H,7H2,1H3,(H,17,19,20)","","2023-08-07","2023-12-01","3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile","2023-12-06"],["D43","~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate","C19 H26 N2 O3","CC(C)[CH]1N(CC[C]12C(=O)Nc3ccccc23)C(=O)OC(C)(C)C;CC(C)C1C2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O","InChI=1S/C19H26N2O3/c1-12(2)15-19(10-11-21(15)17(23)24-18(3,4)5)13-8-6-7-9-14(13)20-16(19)22/h6-9,12,15H,10-11H2,1-5H3,(H,20,22)/t15-,19-/m0/s1","","2019-06-21","2020-06-12","~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate","2020-06-17"],["JIS","3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine","C20 H20 N6","n1cnc2c(nnn2Cc2cccc3ccccc32)c1N1CCCCC1;C1CCN(CC1)c2ncnc3n(Cc4cccc5ccccc45)nnc23;c1ccc2c(c1)cccc2Cn3c4c(c(ncn4)N5CCCCC5)nn3","InChI=1S/C20H20N6/c1-4-11-25(12-5-1)19-18-20(22-14-21-19)26(24-23-18)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10,14H,1,4-5,11-13H2","","2022-02-01","2022-10-07","3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine","2022-10-12"],["D44","N-(2-ethylphenyl)-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide","C16 H16 N4 O S","O=C(Nc1ccccc1CC)CSc3nc2cccnc2n3;CCc1ccccc1NC(=O)CSc2[nH]c3ncccc3n2;CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3","InChI=1S/C16H16N4OS/c1-2-11-6-3-4-7-12(11)18-14(21)10-22-16-19-13-8-5-9-17-15(13)20-16/h3-9H,2,10H2,1H3,(H,18,21)(H,17,19,20)","","2011-12-27","2013-09-06","N-(2-ethylphenyl)-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide","2013-09-11"],["D45","6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide)","C18 H22 N4 O4 S2","CN1CN[S](=O)(=O)c2ccc(CCc3ccc4c(c3)N(C)CN[S]4(=O)=O)cc12;CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C","InChI=1S/C18H22N4O4S2/c1-21-11-19-27(23,24)17-7-5-13(9-15(17)21)3-4-14-6-8-18-16(10-14)22(2)12-20-28(18,25)26/h5-10,19-20H,3-4,11-12H2,1-2H3","","2017-12-18","2018-11-16","4-methyl-6-[2-[4-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-6-yl]ethyl]-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide","2018-11-21"],["JIT","beta-D-manno-configured cyclophellitol aziridine","C7 H13 N O4","OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12;C(C1C2C(N2)C(C(C1O)O)O)O","InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6+,7-/m0/s1","","2022-04-28","2022-08-22","(1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol","2022-05-18"],["JIV","(4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","C16 H21 Cl N8","Cn1nc(nc1CCc1nc2c(Cl)c(C)nc(C)n2n1)N1CCCC1;Cn1nc(nc1CCc2nn3c(C)nc(C)c(Cl)c3n2)N4CCCC4;Cc1c(c2nc(nn2c(n1)C)CCc3nc(nn3C)N4CCCC4)Cl","InChI=1S/C16H21ClN8/c1-10-14(17)15-19-12(21-25(15)11(2)18-10)6-7-13-20-16(22-23(13)3)24-8-4-5-9-24/h4-9H2,1-3H3","","2022-02-01","2022-10-07","(4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","2022-10-12"],["D46","N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide","C20 H19 Cl N4 O2 S2","Clc1sc(cc1)C(=O)NCc2ccccc2NC(=O)c3nc4c(s3)CN(CC4)C;CN1CCc2nc(sc2C1)C(=O)Nc3ccccc3CNC(=O)c4sc(Cl)cc4;CN1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1","InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27)","","2011-09-28","2012-08-24","N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide","2012-08-24"],["JIW","beta-D-manno-configured cyclophellitol aziridine, reacted form","C7 H15 N O5","N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;C(C1C(C(C(C(C1O)O)O)O)N)O","InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1","(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2022-04-28","2024-09-27","(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2022-05-18"],["D47","(3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione","C26 H19 Cl F N3 O2 S2","c1(c(cccc1)SC2C(NC(CC2=O)(c3nc(ccc3)Nc4ccc(cc4)F)c5cscc5)=O)Cl;Fc1ccc(Nc2cccc(n2)[C]3(CC(=O)[CH](Sc4ccccc4Cl)C(=O)N3)c5cscc5)cc1;c1ccc(c(c1)SC2C(=O)CC(NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl","InChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,24H,14H2,(H,29,30)(H,31,33)/t24-,26-/m0/s1","","2017-10-17","2018-10-19","(3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione","2018-10-24"],["JIX","(1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid","C7 H9 N O5","OC(=O)C1(N)COC2C(C21)C(=O)O;N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O;C1C(C2C(C2O1)C(=O)O)(C(=O)O)N","InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7-/m0/s1","","2023-08-07","2024-07-26","(1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid","2024-07-31"],["D48","naphthalene-2,3-diol","C10 H8 O2","Oc1cc2ccccc2cc1O;c1ccc2cc(c(cc2c1)O)O","InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H","","2017-12-18","2018-02-16","naphthalene-2,3-diol","2018-02-21"],["JIY","2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole","C18 H20 N4 O S","Cc1c(OC)c(C)cnc1CSc1nc2cc3NCCc3cc2[NH]1;COc1c(C)cnc(CSc2[nH]c3cc4CCNc4cc3n2)c1C;Cc1cnc(c(c1OC)C)CSc2[nH]c3cc4c(cc3n2)NCC4","InChI=1S/C18H20N4OS/c1-10-8-20-16(11(2)17(10)23-3)9-24-18-21-14-6-12-4-5-19-13(12)7-15(14)22-18/h6-8,19H,4-5,9H2,1-3H3,(H,21,22)","","2022-02-01","2022-10-07","2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole","2022-10-12"],["D49","2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid","C32 H26 N4 O7","O[CH](CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)C(O)=O)COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(O)=O;c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCCC(COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O","InChI=1S/C32H26N4O7/c37-22(17-43-24-9-3-19(4-10-24)30-34-26-12-6-21(32(40)41)16-28(26)36-30)13-14-42-23-7-1-18(2-8-23)29-33-25-11-5-20(31(38)39)15-27(25)35-29/h1-12,15-16,22,37H,13-14,17H2,(H,33,35)(H,34,36)(H,38,39)(H,40,41)/t22-/m1/s1","","2019-02-15","2019-05-24","2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid","2019-05-29"],["JIZ","(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","C18 H18 N6 O3 S4","C[CH]1NC(=O)c2csc(n2)[CH](C)NC(=O)c3csc(n3)[CH](CS)NC(=O)c4csc1n4;CC1c2nc(cs2)C(=O)NC(c3nc(cs3)C(=O)NC(c4nc(cs4)C(=O)N1)CS)C","InChI=1S/C18H18N6O3S4/c1-7-16-22-10(4-29-16)13(25)19-8(2)17-23-12(5-30-17)15(27)21-9(3-28)18-24-11(6-31-18)14(26)20-7/h4-9,28H,3H2,1-2H3,(H,19,25)(H,20,26)(H,21,27)/t7-,8-,9-/m0/s1","","2022-04-28","2024-09-27","(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","2023-04-26"],["D4A","(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one","C26 H18 Cl F N2 O3 S2","c1c(ccc(c1)F)Nc5cccc(C3(c2cscc2)CC(=C(C(=O)O3)Sc4ccccc4Cl)O)n5;OC1=C(Sc2ccccc2Cl)C(=O)O[C](C1)(c3cscc3)c4cccc(Nc5ccc(F)cc5)n4;c1ccc(c(c1)SC2=C(CC(OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl","InChI=1S/C26H18ClFN2O3S2/c27-19-4-1-2-5-21(19)35-24-20(31)14-26(33-25(24)32,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,31H,14H2,(H,29,30)/t26-/m1/s1","","2017-10-17","2018-10-19","(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one","2018-10-24"],["JJ1","N-[(1S)-1-{[(1S)-5-AMINO-1-[(2-CYCLOHEXYLETHYL)CARBAMOYL]PENTYL]CARBAMOYL}-2-HYDROXYETHYL]-10-HYDROXYDECANAMIDE","C27 H52 N4 O5","O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCO;NCCCC[CH](NC(=O)[CH](CO)NC(=O)CCCCCCCCCO)C(=O)NCCC1CCCCC1;C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCCO","InChI=1S/C27H52N4O5/c28-18-11-10-15-23(26(35)29-19-17-22-13-7-6-8-14-22)31-27(36)24(21-33)30-25(34)16-9-4-2-1-3-5-12-20-32/h22-24,32-33H,1-21,28H2,(H,29,35)(H,30,34)(H,31,36)/t23-,24-/m0/s1","","2013-09-20","2014-09-19","N-(10-hydroxydecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide","2014-09-24"],["D4B","[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C19 H18 N3 O7 P","NC1=NC(=O)N(C=C1C#Cc2ccc(cc2)C#C)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C19H18N3O7P/c1-2-12-3-5-13(6-4-12)7-8-14-10-22(19(24)21-18(14)20)17-9-15(23)16(29-17)11-28-30(25,26)27/h1,3-6,10,15-17,23H,9,11H2,(H2,20,21,24)(H2,25,26,27)/t15-,16+,17+/m0/s1","","2017-12-19","2018-09-21","[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2018-09-26"],["D4C","7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine","C17 H14 F N5","Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1;c1ccc(c(c1)Cn2ccc3c2ccc4c3c(nc(n4)N)N)F","InChI=1S/C17H14FN5/c18-12-4-2-1-3-10(12)9-23-8-7-11-14(23)6-5-13-15(11)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)","","2019-06-21","2022-04-22","7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine","2022-04-27"],["JJ2","1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one","C18 H19 Cl2 N3 O","CN(C)CCN1C=Cc2n(Cc3ccc(Cl)c(Cl)c3)ccc2C1=O;CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O","InChI=1S/C18H19Cl2N3O/c1-21(2)9-10-22-8-6-17-14(18(22)24)5-7-23(17)12-13-3-4-15(19)16(20)11-13/h3-8,11H,9-10,12H2,1-2H3","","2019-02-27","2020-03-13","1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one","2020-03-18"],["D4D","2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-DIPHOSPHATE","C10 H14 N2 O10 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)C=C2;CC1=CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)C=C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(O)OP(=O)(O)O","InChI=1S/C10H14N2O10P2/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-24(18,19)22-23(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1","","2000-08-23","2011-06-04","[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl trihydrogen diphosphate",""],["JJ3","(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL","C20 H22 O4","Oc1ccc(cc1)C4Oc2c(cc(O)cc2C3CCCC34)COC;COCc1cc(O)cc2[CH]3CCC[CH]3[CH](Oc12)c4ccc(O)cc4;COCc1cc(cc2c1OC(C3C2CCC3)c4ccc(cc4)O)O","InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1","","2007-07-03","2011-06-04","(3aS,4R,9bR)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",""],["JJ4","3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide","C12 H18 N2 O S","C(C(Nc1ncc(C)s1)=O)CC2CCCC2;Cc1sc(NC(=O)CCC2CCCC2)nc1;Cc1cnc(s1)NC(=O)CCC2CCCC2","InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)","","2018-09-10","2018-10-05","3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide","2018-10-10"],["D4E","(6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C28 H35 F3 N4 O3","CC[CH](C)[CH]1N2[CH](CN([CH](C)c3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC(F)(F)F)C(C)c3cccc4c3cccc4","InChI=1S/C28H35F3N4O3/c1-4-18(2)25-26(37)34(19(3)21-12-7-10-20-9-5-6-11-22(20)21)17-23-33(16-13-24(36)35(23)25)27(38)32-15-8-14-28(29,30)31/h5-7,9-12,18-19,23,25H,4,8,13-17H2,1-3H3,(H,32,38)/t18-,19+,23+,25-/m0/s1","","2022-04-06","2022-11-11","(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(1~{R})-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2022-11-16"],["D4F","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate","C21 H20 N7 O9 P S2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O;c1cc2c(cc1O)sc(n2)C3=NC(CS3)C(=O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O","InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1","Luciferyl adenylate","2019-06-25","2021-03-01","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate","2020-05-27"],["JJ5","1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one","C14 H10 Cl2 N2 O","Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl;c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl","InChI=1S/C14H10Cl2N2O/c15-11-2-1-9(7-12(11)16)8-18-6-4-10-13(18)3-5-17-14(10)19/h1-2,4-7H,3,8H2","","2019-02-27","2020-03-13","1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one","2020-03-18"],["JJ6","[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol","C13 H11 N3 O","OCc1ccn2nc(nc2c1)c1ccccc1;OCc1ccn2nc(nc2c1)c3ccccc3;c1ccc(cc1)c2nc3cc(ccn3n2)CO","InChI=1S/C13H11N3O/c17-9-10-6-7-16-12(8-10)14-13(15-16)11-4-2-1-3-5-11/h1-8,17H,9H2","","2022-02-01","2022-10-07","[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol","2022-10-12"],["D4G","4,4'-DIPYRIDYL DISULFIDE","C10 H8 N2 S2","S(Sc1ccncc1)c2ccncc2;S(Sc1ccncc1)c2ccncc2;c1cnccc1SSc2ccncc2","InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H","","2005-12-15","2011-06-04","4,4'-disulfanediyldipyridine",""],["JJ7","1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one","C10 H20 N2 O2","CC(N1CCC(CC1)NCCOC)=O;COCCNC1CCN(CC1)C(C)=O;CC(=O)N1CCC(CC1)NCCOC","InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3","","2018-09-10","2018-10-05","1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one","2018-10-10"],["D4H","(2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine","C18 H21 N","Cc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3;Cc1cccc(c1)C(c2ccccc2)C3CCCN3","InChI=1S/C18H21N/c1-14-7-5-10-16(13-14)18(17-11-6-12-19-17)15-8-3-2-4-9-15/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18+/m1/s1","","2017-12-20","2024-09-27","(2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine","2018-05-16"],["JJ8","1-[(3,4-dichlorophenyl)methyl]imidazole","C10 H8 Cl2 N2","Clc1ccc(Cn2ccnc2)cc1Cl;c1cc(c(cc1Cn2ccnc2)Cl)Cl","InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2","","2019-02-27","2020-03-13","1-[(3,4-dichlorophenyl)methyl]imidazole","2020-03-18"],["D4I","methyl 2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside","C31 H47 N3 O20","CC(=O)NC1C(O)C2OC(C)(OCC2OC1OC1C(O)C(NC(C)=O)C(OC1CO)OC1C(NC(C)=O)C(OC2COC(C)(OC12)C(=O)O)OC)C(=O)O;CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH]5CO[C](C)(O[CH]5[CH](O)[CH]4NC(C)=O)C(O)=O)[CH](O)[CH]3NC(C)=O)[CH]1NC(C)=O)C(O)=O;CC(=O)NC1C(C2C(COC(O2)(C)C(=O)O)OC1OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC5C4OC(OC5)(C)C(=O)O)OC)NC(=O)C)CO)O","InChI=1S/C31H47N3O20/c1-10(36)32-16-19(39)21(51-27-17(33-11(2)37)20(40)22-14(50-27)8-46-30(4,53-22)28(41)42)13(7-35)48-26(16)52-24-18(34-12(3)38)25(45-6)49-15-9-47-31(5,29(43)44)54-23(15)24/h13-27,35,39-40H,7-9H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)(H,41,42)(H,43,44)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,30+,31+/m1/s1","","2021-11-24","2022-03-04","methyl 2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside","2022-03-09"],["JJ9","N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide","C15 H15 N3 O3 S","CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2;CC(=O)NCCNC(=O)c1ccc(cc1)c2nc(cs2)C=O","InChI=1S/C15H15N3O3S/c1-10(20)16-6-7-17-14(21)11-2-4-12(5-3-11)15-18-13(8-19)9-22-15/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,21)","","2022-08-18","2024-09-27","~{N}-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide","2023-11-15"],["D4J","(2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one","C26 H18 Cl F N2 O3 S2","c1c(ccc(c1)F)Oc5cccc(C2(CC(=C(C(=O)N2)Sc3c(Cl)cccc3)O)c4cscc4)n5;OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4cccc(Oc5ccc(F)cc5)n4;c1ccc(c(c1)SC2=C(CC(NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl","InChI=1S/C26H18ClFN2O3S2/c27-19-4-1-2-5-21(19)35-24-20(31)14-26(30-25(24)32,16-12-13-34-15-16)22-6-3-7-23(29-22)33-18-10-8-17(28)9-11-18/h1-13,15,31H,14H2,(H,30,32)/t26-/m0/s1","","2017-10-17","2018-10-19","(2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one","2018-10-24"],["D4K","(2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine","C18 H21 N O","COc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3;COc1cccc(c1)C(c2ccccc2)C3CCCN3","InChI=1S/C18H21NO/c1-20-16-10-5-9-15(13-16)18(17-11-6-12-19-17)14-7-3-2-4-8-14/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18+/m1/s1","","2017-12-20","2024-09-27","(2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine","2018-05-16"],["JJA","N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide","C28 H26 N4 O5 S","O=S(=O)(c1ccccc1)NC(=O)c2cc(c(OCCC)cc2)CNC(=O)c4ccc(c3ncccn3)cc4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)N[S](=O)(=O)c4ccccc4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4","InChI=1S/C28H26N4O5S/c1-2-17-37-25-14-13-22(28(34)32-38(35,36)24-7-4-3-5-8-24)18-23(25)19-31-27(33)21-11-9-20(10-12-21)26-29-15-6-16-30-26/h3-16,18H,2,17,19H2,1H3,(H,31,33)(H,32,34)","","2013-11-20","2014-11-14","N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide","2014-11-19"],["D4L","2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine","C25 H29 N7 O","Cc1ccc2nc(C)c(nc2c1)c3cc4nc(cc(NC5CCOCC5)n4n3)N6CCCC6;Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6","InChI=1S/C25H29N7O/c1-16-5-6-19-20(13-16)28-25(17(2)26-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3","","2019-06-25","2019-07-12","2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine","2019-07-17"],["JJB","N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide","C29 H28 N4 O5 S","O=S(=O)(NC(c3cc(CNC(c1ccc(cc1)c2ncccn2)=O)c(OCCC)cc3)=O)Cc4ccccc4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)N[S](=O)(=O)Cc4ccccc4;CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4","InChI=1S/C29H28N4O5S/c1-2-17-38-26-14-13-24(29(35)33-39(36,37)20-21-7-4-3-5-8-21)18-25(26)19-32-28(34)23-11-9-22(10-12-23)27-30-15-6-16-31-27/h3-16,18H,2,17,19-20H2,1H3,(H,32,34)(H,33,35)","","2015-03-25","2016-02-26","N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide","2016-03-02"],["JJC","N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide","C27 H23 Cl N4 O4","O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1ccc(NC(=O)CCl)cc1)c1ccco1;ClCC(=O)Nc1ccc(cc1)N([CH](C(=O)NCc2ccccc2)c3cccnc3)C(=O)c4occc4;c1ccc(cc1)CNC(=O)C(c2cccnc2)N(c3ccc(cc3)NC(=O)CCl)C(=O)c4ccco4","InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-12-22(13-11-21)32(27(35)23-9-5-15-36-23)25(20-8-4-14-29-18-20)26(34)30-17-19-6-2-1-3-7-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1","","2023-08-07","2024-09-27","N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide","2024-01-24"],["D4M","[(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","C10 H13 N2 O7 P","O=C1NC(=O)N(C=C1C)C2OC(C=C2)COP(=O)(O)O;CC1=CN([CH]2O[CH](CO[P](O)(O)=O)C=C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(O)O","InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1","2',3'-DIDEOXY-2',3-DIDEHYDROTHYMIDINE 5'-MONOPHOSPHATE; 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-MONOPHOSPHATE","2005-05-10","2020-05-27","[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate",""],["D4N","1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide","C19 H26 F3 N3 O4 S","FC(F)(F)C(O)(c1ccc(cc1)S(=O)(=O)N3C(CN(CC2(C(=O)N)CC2)CC3)C)C;C[CH]1CN(CCN1[S](=O)(=O)c2ccc(cc2)[C](C)(O)C(F)(F)F)CC3(CC3)C(N)=O;CC1CN(CCN1S(=O)(=O)c2ccc(cc2)C(C)(C(F)(F)F)O)CC3(CC3)C(=O)N","InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1","","2008-05-15","2011-06-04","1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide",""],["JJD","2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid","C23 H18 F3 N3 O4","CC(=O)C1=C(C)N(C(=O)N(CC(O)=O)[CH]1c2ccc(cc2)C#N)c3cccc(c3)C(F)(F)F;CC1=C(C(N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C","InChI=1S/C23H18F3N3O4/c1-13-20(14(2)30)21(16-8-6-15(11-27)7-9-16)28(12-19(31)32)22(33)29(13)18-5-3-4-17(10-18)23(24,25)26/h3-10,21H,12H2,1-2H3,(H,31,32)/t21-/m1/s1","","2015-04-17","2015-08-14","2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid","2015-08-19"],["D4O","(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","C17 H22 O4","C[CH]1CCC[CH](C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2;CC1CCCC(C1)CC2Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C17H22O4/c1-10-3-2-4-11(5-10)6-14-8-12-7-13(18)9-15(19)16(12)17(20)21-14/h7,9-11,14,18-19H,2-6,8H2,1H3/t10-,11-,14-/m0/s1","","2019-06-27","2020-04-03","(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","2020-04-08"],["JJE","~{N}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide","C21 H18 Cl F5 N4 O4","CCN1C(=NN(C1=O)c2cc(O[CH](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(F)cccc3Cl)CO;CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)OC(C)C(F)(F)F)CO","InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1","BAY 2402234","2019-02-27","2020-01-26","~{N}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide","2019-06-05"],["D4P","(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID","C8 H9 N O3","O=C(O)C(N)c1ccc(O)cc1;N[CH](C(O)=O)c1ccc(O)cc1;c1cc(ccc1C(C(=O)O)N)O","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","","2004-09-08","2024-09-27","(2S)-amino(4-hydroxyphenyl)ethanoic acid",""],["JJF","2-methyl-3-(pyrrolidin-1-yl)quinoxaline","C13 H15 N3","Cc1nc2ccccc2nc1N1CCCC1;Cc1nc2ccccc2nc1N3CCCC3;Cc1c(nc2ccccc2n1)N3CCCC3","InChI=1S/C13H15N3/c1-10-13(16-8-4-5-9-16)15-12-7-3-2-6-11(12)14-10/h2-3,6-7H,4-5,8-9H2,1H3","","2022-02-01","2022-10-07","2-methyl-3-(pyrrolidin-1-yl)quinoxaline","2022-10-12"],["D4Q","2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide","C19 H19 F N4 O S","NC(=O)c1cnc(N[CH]2CCCNC2)c3cc(sc13)c4cccc(F)c4;c1cc(cc(c1)F)c2cc3c(s2)c(cnc3NC4CCCNC4)C(=O)N","InChI=1S/C19H19FN4OS/c20-12-4-1-3-11(7-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-5-2-6-22-9-13/h1,3-4,7-8,10,13,22H,2,5-6,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1","","2017-12-20","2018-01-12","2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide","2018-01-17"],["JJG","4-[2-(phenylsulfanyl)ethyl]morpholine","C12 H17 N O S","C1COCCN1CCSc2ccccc2;C1CN(CCO1)CCSc2ccccc2;c1ccc(cc1)SCCN2CCOCC2","InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2","","2018-09-10","2018-10-05","4-[2-(phenylsulfanyl)ethyl]morpholine","2018-10-10"],["D4R","(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline","C19 H21 N O3","COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45;CN1CCC23c4c5ccc(c4OC2C(=CC=C3C1C5)OC)OC","InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1","Thebaine","2019-06-27","2020-06-19","(4~{R},7~{a}~{R},12~{b}~{S})-7,9-dimethoxy-3-methyl-2,4,7~{a},13-tetrahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinoline","2020-06-24"],["JJH","cadazolid","C29 H29 F2 N3 O8","OC[CH]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2;c1cc(c(cc1N2CC(OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O","InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1","","2019-02-28","2019-04-05","1-cyclopropyl-6-fluoranyl-7-[4-[[2-fluoranyl-4-[(5~{R})-5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-oxidanyl-piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid","2019-04-10"],["JJI","(4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","C24 H20 N8 O7 S5","C[CH]1NC(=O)c2csc(n2)[CH](CSSc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)NC(=O)c4csc(n4)[CH](C)NC(=O)c5csc1n5;CC1c2nc(cs2)C(=O)NC(c3nc(cs3)C(=O)NC(c4nc(cs4)C(=O)N1)CSSc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C","InChI=1S/C24H20N8O7S5/c1-10-22-28-13(6-40-22)19(33)25-11(2)23-29-15(7-41-23)21(35)27-16(24-30-14(8-42-24)20(34)26-10)9-43-44-18-4-3-12(31(36)37)5-17(18)32(38)39/h3-8,10-11,16H,9H2,1-2H3,(H,25,33)(H,26,34)(H,27,35)/t10-,11-,16-/m0/s1","","2022-04-28","2023-04-21","(4~{S},11~{S},18~{S})-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione","2023-04-26"],["D4S","(6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one","C21 H16 Cl N O3 S2","c4ccc(SC=2C(OC(c1cccc(c1)N)(CC=2O)c3cscc3)=O)c(c4)Cl;Nc1cccc(c1)[C]2(CC(=C(Sc3ccccc3Cl)C(=O)O2)O)c4cscc4;c1ccc(c(c1)SC2=C(CC(OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl","InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(24)11-21(26-20(19)25,14-8-9-27-12-14)13-4-3-5-15(23)10-13/h1-10,12,24H,11,23H2/t21-/m1/s1","","2017-10-17","2018-10-19","(6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one","2018-10-24"],["JJJ","S-(pyridin-3-ylcarbonyl)-L-cysteine","C9 H10 N2 O3 S","O=C(O)C(N)CSC(=O)c1cccnc1;N[CH](CSC(=O)c1cccnc1)C(O)=O;c1cc(cnc1)C(=O)SCC(C(=O)O)N","InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1","","2010-08-06","2024-09-27","S-(pyridin-3-ylcarbonyl)-L-cysteine",""],["D4T","2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE","C10 H15 N2 O13 P3","CC1=CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1","","2000-08-23","2011-06-04","[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate",""],["D4U","(3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","C16 H20 O4","Oc1cc(O)c2C(=O)O[CH](CC3CCCCC3)Cc2c1;c1c(cc(c2c1CC(OC2=O)CC3CCCCC3)O)O","InChI=1S/C16H20O4/c17-12-7-11-8-13(6-10-4-2-1-3-5-10)20-16(19)15(11)14(18)9-12/h7,9-10,13,17-18H,1-6,8H2/t13-/m0/s1","","2019-06-28","2020-04-03","(3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one","2020-04-08"],["JJK","S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine","C9 H12 N2 O3 S","O=C(O)C(N)CSC(O)c1cccnc1;N[CH](CS[CH](O)c1cccnc1)C(O)=O;c1cc(cnc1)C(O)SCC(C(=O)O)N","InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1","","2010-08-06","2024-09-27","S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine",""],["JJL","S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine","C10 H14 N2 O4 S","O=C(O)C(N)CSC(O)c1cncc(OC)c1;COc1cncc(c1)[CH](O)SC[CH](N)C(O)=O;COc1cc(cnc1)C(O)SCC(C(=O)O)N","InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1","","2010-08-06","2024-09-27","S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine",""],["D4V","3-methylpyridin-2-ol","C6 H7 N O","c1nc(O)c(cc1)C;Cc1cccnc1O;Cc1cccnc1O","InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)","(R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER","2017-10-18","2020-06-17","3-methylpyridin-2-ol","2018-10-17"],["D4W","4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol","C15 H11 Cl N2 O2","Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl;c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl","InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H","","2017-12-21","2019-01-25","4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol","2019-01-30"],["JJM","1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C13 H13 N5","c32c(Nc1cccc(C)c1)ncnc2n(nc3)C;Cn1ncc2c(Nc3cccc(C)c3)ncnc12;Cc1cccc(c1)Nc2c3cnn(c3ncn2)C","InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)","","2018-09-11","2018-10-05","1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","2018-10-10"],["JJN","(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one","C22 H25 N3 O","CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5ccccc5N3;CC1(CCN(CC1)C)C23C(c4ccccc4C(=O)N2)c5ccccc5N3","InChI=1S/C22H25N3O/c1-21(11-13-25(2)14-12-21)22-19(17-9-5-6-10-18(17)23-22)15-7-3-4-8-16(15)20(26)24-22/h3-10,19,23H,11-14H2,1-2H3,(H,24,26)/t19-,22+/m0/s1","","2019-02-28","2019-07-26","(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one","2019-07-31"],["D4X","(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one","C17 H23 N O3","C[CH]1CCC[CH](C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)N2;CC1CCCC(C1)CC2Cc3cc(cc(c3C(=O)N2)O)O","InChI=1S/C17H23NO3/c1-10-3-2-4-11(5-10)6-13-7-12-8-14(19)9-15(20)16(12)17(21)18-13/h8-11,13,19-20H,2-7H2,1H3,(H,18,21)/t10-,11-,13-/m0/s1","","2019-07-03","2020-04-03","(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one","2020-04-08"],["JJO","N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide","C27 H23 Cl N4 O4","O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1cccc(NC(=O)CCl)c1)c1ccco1;ClCC(=O)Nc1cccc(c1)N([CH](C(=O)NCc2ccccc2)c3cccnc3)C(=O)c4occc4;c1ccc(cc1)CNC(=O)C(c2cccnc2)N(c3cccc(c3)NC(=O)CCl)C(=O)c4ccco4","InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-4-11-22(15-21)32(27(35)23-12-6-14-36-23)25(20-9-5-13-29-18-20)26(34)30-17-19-7-2-1-3-8-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1","","2023-08-07","2024-09-27","N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide","2024-01-24"],["D4Y","(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one","C8 H6 F N O2","c12C(C(=O)Nc1ccc(c2)F)O;O[CH]1C(=O)Nc2ccc(F)cc12;c1cc2c(cc1F)C(C(=O)N2)O","InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m0/s1","","2017-10-18","2018-09-07","(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one","2018-09-12"],["JJP","(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol","C15 H18 N2 O","c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O;Cn1c2ccccc2c3C[CH]4C[CH]([CH](O)CN4)c13;Cn1c2ccccc2c3c1C4CC(C3)NCC4O","InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1","","2018-09-11","2018-10-05","(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol","2018-10-10"],["D4Z","2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide","C20 H22 N4 O","NC(=O)c1ccc(N[CH]2CCCNC2)c3cc([nH]c13)c4ccccc4;c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)NC4CCCNC4","InChI=1S/C20H22N4O/c21-20(25)15-8-9-17(23-14-7-4-10-22-12-14)16-11-18(24-19(15)16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,22-24H,4,7,10,12H2,(H2,21,25)/t14-/m0/s1","","2017-12-21","2018-01-12","2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide","2018-01-17"],["JJQ","(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole","C14 H20 N2","CC1(C)C[C]2(C)c3ccccc3N[C]2(C)N1;CC1(CC2(c3ccccc3NC2(N1)C)C)C","InChI=1S/C14H20N2/c1-12(2)9-13(3)10-7-5-6-8-11(10)15-14(13,4)16-12/h5-8,15-16H,9H2,1-4H3/t13-,14-/m0/s1","","2019-02-28","2019-07-26","(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole","2019-07-31"],["D50","N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine","C23 H30 N2 O5","O=C(O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)CC(C)C;CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccc(OCc2ccccc2)cc1)C(O)=O;CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccc(cc1)OCc2ccccc2)N)O","InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1","Bestatin derivative 7d","2011-01-11","2021-03-01","N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine",""],["D51","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate","C37 H48 N10 O15 P2","O=C4NC(=O)NC5N(c1cc(c(cc1N3C(N)(C)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH]6NC(=O)NC(=O)[C]67[CH](C[C](C)(N)N7c2cc1C)c8ccccc8;Cc1cc2c(cc1C)N3C(CC(C34C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N","InChI=1S/C37H48N10O15P2/c1-17-9-21-22(10-18(17)2)47-36(3,39)11-20(19-7-5-4-6-8-19)37(47)33(43-35(54)44-34(37)53)45(21)12-23(48)27(50)24(49)13-59-63(55,56)62-64(57,58)60-14-25-28(51)29(52)32(61-25)46-16-42-26-30(38)40-15-41-31(26)46/h4-10,15-16,20,23-25,27-29,32-33,48-52H,11-14,39H2,1-3H3,(H,55,56)(H,57,58)(H2,38,40,41)(H2,43,44,53,54)/t20-,23-,24+,25+,27-,28+,29+,32+,33-,36+,37-/m0/s1","","2014-08-05","2014-09-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2014-09-10"],["JJR","{8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol","C18 H15 N5 O S","Cc1nc(Nc2ncc(c3cccnc3)c3ccc(CO)nc23)cs1;Cc1scc(Nc2ncc(c3cccnc3)c4ccc(CO)nc24)n1;Cc1nc(cs1)Nc2c3c(ccc(n3)CO)c(cn2)c4cccnc4","InChI=1S/C18H15N5OS/c1-11-21-16(10-25-11)23-18-17-14(5-4-13(9-24)22-17)15(8-20-18)12-3-2-6-19-7-12/h2-8,10,24H,9H2,1H3,(H,20,23)","","2022-02-01","2022-10-07","{8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol","2022-10-12"],["D52","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","C42 H50 N10 O15 P2","O=C4NC(=O)N=C5N(c1cc(c(cc1N(C(c2ccccc2)(N)CCc3ccccc3)C45)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[CH]6N(c2cc1C)[C](N)(CCc7ccccc7)c8ccccc8;Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(CCc7ccccc7)(c8ccccc8)N","InChI=1S/C42H50N10O15P2/c1-22-15-26-27(16-23(22)2)52(42(44,25-11-7-4-8-12-25)14-13-24-9-5-3-6-10-24)32-38(48-41(59)49-39(32)58)50(26)17-28(53)33(55)29(54)18-64-68(60,61)67-69(62,63)65-19-30-34(56)35(57)40(66-30)51-21-47-31-36(43)45-20-46-37(31)51/h3-12,15-16,20-21,28-30,32-35,40,53-57H,13-14,17-19,44H2,1-2H3,(H,60,61)(H,62,63)(H2,43,45,46)(H,49,58,59)/t28-,29+,30+,32-,33-,34+,35+,40+,42-/m0/s1","","2014-08-05","2014-09-05","(2R,3S,4S)-5-[(4aS)-5-[(1S)-1-amino-1,3-diphenylpropyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2014-09-10"],["JJS","5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile","C20 H15 F3 N4 O2","CC(=O)C1=C(C)N(C(=O)N[CH]1c2ccc(nc2)C#N)c3cccc(c3)C(F)(F)F;CC1=C(C(NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C","InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1","","2015-04-17","2015-08-14","5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile","2015-08-19"],["JJT","(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid","C12 H20 N4 O3","OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2;C1CC(=N)CN(C1C(=O)NC2CCNCC2)C(=O)O","InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1","","2019-03-06","2024-09-27","(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid","2019-08-21"],["D53","2-(benzylamino)ethanesulfonic acid","C9 H13 N O3 S","O=S(=O)(O)CCNCc1ccccc1;O[S](=O)(=O)CCNCc1ccccc1;c1ccc(cc1)CNCCS(=O)(=O)O","InChI=1S/C9H13NO3S/c11-14(12,13)7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)","","2012-06-25","2012-10-26","2-(benzylamino)ethanesulfonic acid","2012-10-26"],["JJU","2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid","C18 H12 F3 N3 O2","Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F)(F)F)c2n1)C(O)=O;Cn1cc2c3cc(ccc3n(c2n1)c4ccc(cc4)C(F)(F)F)C(=O)O","InChI=1S/C18H12F3N3O2/c1-23-9-14-13-8-10(17(25)26)2-7-15(13)24(16(14)22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)","","2022-04-29","2022-08-22","2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid","2022-07-13"],["D54","4-deoxy-L-threo-hex-5-ulosuronic acid","C6 H8 O6","O=CC(O)C(O)CC(=O)C(=O)O;O[CH](CC(=O)C(O)=O)[CH](O)C=O;C(C(C(C=O)O)O)C(=O)C(=O)O","InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1","5-keto-4-deoxy-D-Galacturonate","2011-03-23","2020-06-17","4-deoxy-L-threo-hex-5-ulosuronic acid",""],["JJV","(6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile","C21 H15 F3 N4 O3 S","CC1=C(C#N)[CH](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3[S](C)(=O)=O)C#N;CC1=C(C(NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N","InChI=1S/C21H15F3N4O3S/c1-12-17(11-26)19(16-7-6-13(10-25)8-18(16)32(2,30)31)27-20(29)28(12)15-5-3-4-14(9-15)21(22,23)24/h3-9,19H,1-2H3,(H,27,29)/t19-/m1/s1","","2015-04-17","2015-08-14","(6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile","2015-08-19"],["D55","4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide","C21 H28 N2 O4","O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(OCC)ccc2OCC;CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1;CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC","InChI=1S/C21H28N2O4/c1-5-25-17-7-8-19(26-6-2)18(13-17)23-21(24)16-11-14(3)20(15(4)12-16)27-10-9-22/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,24)","","2007-12-05","2011-06-04","4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide",""],["JJW","(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol","C17 H24 N4 O4","CCOCCOc1ccc(cc1)c2cn(C[CH]3NC[CH](O)[CH]3O)nn2;CCOCCOc1ccc(cc1)c2cn(nn2)CC3C(C(CN3)O)O","InChI=1S/C17H24N4O4/c1-2-24-7-8-25-13-5-3-12(4-6-13)14-10-21(20-19-14)11-15-17(23)16(22)9-18-15/h3-6,10,15-18,22-23H,2,7-9,11H2,1H3/t15-,16+,17-/m0/s1","","2019-03-06","2019-06-28","(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol","2019-07-03"],["D56","4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide","C24 H32 Cl N3 O3","O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(cc(Cl)c2OCC)N3CCCCC3;CCOc1c(Cl)cc(cc1NC(=O)c2cc(C)c(OCCN)c(C)c2)N3CCCCC3;CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C","InChI=1S/C24H32ClN3O3/c1-4-30-23-20(25)14-19(28-9-6-5-7-10-28)15-21(23)27-24(29)18-12-16(2)22(17(3)13-18)31-11-8-26/h12-15H,4-11,26H2,1-3H3,(H,27,29)","","2007-12-05","2011-06-04","4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",""],["JJX","(4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile","C29 H29 F3 N6 O2","CC(C)N1CCN(CC1)C(=O)CN2[CH](c3ccc(cc3)C#N)C(=C(C)N(C2=O)c4cccc(c4)C(F)(F)F)C#N;CC1=C(C(N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N","InChI=1S/C29H29F3N6O2/c1-19(2)35-11-13-36(14-12-35)26(39)18-37-27(22-9-7-21(16-33)8-10-22)25(17-34)20(3)38(28(37)40)24-6-4-5-23(15-24)29(30,31)32/h4-10,15,19,27H,11-14,18H2,1-3H3/t27-/m1/s1","","2015-04-17","2015-08-14","(4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile","2015-08-19"],["D57","dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate","C22 H22 N2 O6","COC(c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3)=O;COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3;COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O","InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3","","2017-10-18","2018-04-13","dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate","2018-04-18"],["JJY","3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione","C13 H13 N O2","C2CC(c3cc1C(=O)CCCc1nc3C2)=O;O=C1CCCc2nc3CCCC(=O)c3cc12;c1c2c(nc3c1C(=O)CCC3)CCCC2=O","InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2","","2018-09-11","2018-10-05","3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione","2018-10-10"],["D58","4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide","C20 H22 N4 O S","C[CH]1NCCC[CH]1Nc2ncc(C(N)=O)c3sc(cc23)c4ccccc4;CC1C(CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4","InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1","","2017-12-21","2018-01-12","4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide","2018-01-17"],["D59","N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide","C14 H10 Cl2 N2 O3","Clc2cc(NC(=O)c1cccc([N+]([O-])=O)c1C)cc(Cl)c2;Cc1c(cccc1[N+]([O-])=O)C(=O)Nc2cc(Cl)cc(Cl)c2;Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl","InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)","","2014-12-24","2015-05-08","N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide","2015-05-13"],["JJZ","4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide","C25 H20 Cl N3 O2","Clc4cc(NC(=O)CCC(=O)N/N=C/c3c1ccccc1cc2ccccc23)ccc4;Clc1cccc(NC(=O)CCC(=O)NN=Cc2c3ccccc3cc4ccccc24)c1;c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl","InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+","","2010-04-20","2011-06-04","4-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-4-oxobutanamide",""],["JK0","N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide","C27 H31 N3 O3","CC(C)(C)c1ccc(cc1)N(C(=O)CCO)C(c1cccnc1)C(=O)NCc1ccccc1;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NCc2ccccc2)c3cccnc3)C(=O)CCO;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCc3ccccc3)C(=O)CCO","InChI=1S/C27H31N3O3/c1-27(2,3)22-11-13-23(14-12-22)30(24(32)15-17-31)25(21-10-7-16-28-19-21)26(33)29-18-20-8-5-4-6-9-20/h4-14,16,19,25,31H,15,17-18H2,1-3H3,(H,29,33)/t25-/m1/s1","","2023-08-07","2024-09-27","N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide","2024-01-24"],["D5A","trans-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)","C5 H11 N2 O7 Rh2","CC(=O)O[Rh](O)(O)n1ccnc1.O[Rh](O)O;CC1=O[Rh]([Rh](O1)(n2ccnc2)(O)O)(O)(O)O","InChI=1S/C3H3N2.C2H4O2.5H2O.2Rh/c1-2-5-3-4-1;1-2(3)4;;;;;;;/h1-3H;1H3,(H,3,4);5*1H2;;/q-1;;;;;;;+3;+4/p-6","","2021-12-14","2022-08-22","1-[5-methyl-2,2,3,3,3-pentakis(oxidanyl)-1,4$l^{3}-dioxa-2$l^{5},3$l^{5}-dirhodacyclopent-4-en-2-yl]imidazole","2022-06-08"],["D5B","[8-(azaniumylmethyl)anthracen-1-yl]methylazanium","C16 H18 N2","[NH3+]Cc1cccc2cc3cccc(C[NH3+])c3cc12;c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+]","InChI=1S/C16H16N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H,9-10,17-18H2/p+2","","2017-12-21","2019-04-05","[8-(azaniumylmethyl)anthracen-1-yl]methylazanium","2019-04-10"],["JK1","3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide","C26 H25 N5 O5","O=C(Nc1cc(OC)c(OC)c(OC)c1)c2cccc(c2)n3ncc(c3)NC(=O)Nc4ccccc4;COc1cc(NC(=O)c2cccc(c2)n3cc(NC(=O)Nc4ccccc4)cn3)cc(OC)c1OC;COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4","InChI=1S/C26H25N5O5/c1-34-22-13-19(14-23(35-2)24(22)36-3)28-25(32)17-8-7-11-21(12-17)31-16-20(15-27-31)30-26(33)29-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,32)(H2,29,30,33)","3-(4-(3-phenylureido)-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide","2008-12-12","2020-06-17","3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide",""],["JK2","3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide","C29 H25 F N4 O4","Fc1ccccc1Nc2cc3c(cc2)n(nc3)c5cc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)ccc5;COc1cc(NC(=O)c2cccc(c2)n3ncc4cc(Nc5ccccc5F)ccc34)cc(OC)c1OC;COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F","InChI=1S/C29H25FN4O4/c1-36-26-15-21(16-27(37-2)28(26)38-3)33-29(35)18-7-6-8-22(14-18)34-25-12-11-20(13-19(25)17-31-34)32-24-10-5-4-9-23(24)30/h4-17,32H,1-3H3,(H,33,35)","","2008-12-12","2011-06-04","3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide",""],["D5C","N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide","C24 H20 F6 N2 O","Fc1cc(c(F)cc1F)CC(N)CCNC(=O)c3ccc(c2cccc(c2)C(F)(F)F)cc3;N[CH](CCNC(=O)c1ccc(cc1)c2cccc(c2)C(F)(F)F)Cc3cc(F)c(F)cc3F;c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCCC(Cc3cc(c(cc3F)F)F)N","InChI=1S/C24H20F6N2O/c25-20-13-22(27)21(26)12-17(20)11-19(31)8-9-32-23(33)15-6-4-14(5-7-15)16-2-1-3-18(10-16)24(28,29)30/h1-7,10,12-13,19H,8-9,11,31H2,(H,32,33)/t19-/m0/s1","","2012-02-21","2013-02-22","N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide","2013-02-22"],["JK3","5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide","C18 H17 Br Cl N3 O2","O=C(Nc2cccc(Cl)c2N1CCN(CC#C)CC1)c3oc(Br)cc3;Clc1cccc(NC(=O)c2oc(Br)cc2)c1N3CCN(CC3)CC#C;C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br","InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24)","","2009-01-23","2011-06-04","5-bromo-N-[3-chloro-2-(4-prop-2-yn-1-ylpiperazin-1-yl)phenyl]furan-2-carboxamide",""],["D5D","[(1S)-1-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl] dihydrogen phosphate","C10 H17 N2 O9 P","C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](O)[CH]1O)N2CCC(=O)NC2=O;CC(C1C(C(C(O1)N2CCC(=O)NC2=O)O)O)OP(=O)(O)O","InChI=1S/C10H17N2O9P/c1-4(21-22(17,18)19)8-6(14)7(15)9(20-8)12-3-2-5(13)11-10(12)16/h4,6-9,14-15H,2-3H2,1H3,(H,11,13,16)(H2,17,18,19)/t4-,6-,7+,8+,9+/m0/s1","","2022-12-15","2025-11-07","[(1~{S})-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl] dihydrogen phosphate","2025-11-12"],["JK4","6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H26 F4 N4 O","Fc1cccc(c1F)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3cccc(F)c3F)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3F)F)(F)F","InChI=1S/C21H26F4N4O/c1-13-7-15(29-19(26)8-13)9-14-10-28-11-18(14)30-6-5-27-12-21(24,25)16-3-2-4-17(22)20(16)23/h2-4,7-8,14,18,27-28H,5-6,9-12H2,1H3,(H2,26,29)/t14-,18+/m1/s1","","2011-07-25","2011-09-23","6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["D5E","paromamine","C12 H25 N3 O7","N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O)[CH]1O;C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)O)O)N","InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1","","2017-12-21","2020-07-17","(2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl\n]oxy-2-(hydroxymethyl)oxane-3,4-diol","2018-01-17"],["JK5","6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C21 H26 Cl F3 N4 O","Fc1cc(cc(Cl)c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3cc(F)cc(Cl)c3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cc(cc(c3)Cl)F)(F)F","InChI=1S/C21H26ClF3N4O/c1-13-4-18(29-20(26)5-13)6-14-10-28-11-19(14)30-3-2-27-12-21(24,25)15-7-16(22)9-17(23)8-15/h4-5,7-9,14,19,27-28H,2-3,6,10-12H2,1H3,(H2,26,29)/t14-,19+/m1/s1","","2011-07-25","2011-09-23","6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["D5F","3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one","C17 H20 O4","C[CH]1CCC[CH](C1)CC2=Cc3cc(O)cc(O)c3C(=O)O2;CC1CCCC(C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O","InChI=1S/C17H20O4/c1-10-3-2-4-11(5-10)6-14-8-12-7-13(18)9-15(19)16(12)17(20)21-14/h7-11,18-19H,2-6H2,1H3/t10-,11-/m0/s1","","2019-07-03","2020-04-03","3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one","2020-04-08"],["D5G","(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE","C17 H25 N3 O3 S","O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C;CC(C)C[CH](NC(=S)Nc1ccccc1)C(=O)N[CH]2CO[CH](O)C2;CC(C)CC(C(=O)NC1CC(OC1)O)NC(=S)Nc2ccccc2","InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1","SNJ-1715","2006-03-08","2020-06-17","N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide",""],["JK6","3-[1-(3-ethynylphenyl)-1H-pyrazol-5-yl]-1-phenylpyridazin-4(1H)-one","C21 H14 N4 O","O=C1C=CN(N=C1c1ccnn1c1cccc(C#C)c1)c1ccccc1;O=C1C=CN(N=C1c2ccnn2c3cccc(c3)C#C)c4ccccc4;C#Cc1cccc(c1)n2c(ccn2)C3=NN(C=CC3=O)c4ccccc4","InChI=1S/C21H14N4O/c1-2-16-7-6-10-18(15-16)25-19(11-13-22-25)21-20(26)12-14-24(23-21)17-8-4-3-5-9-17/h1,3-15H","","2022-02-01","2022-10-07","3-[1-(3-ethynylphenyl)-1H-pyrazol-5-yl]-1-phenylpyridazin-4(1H)-one","2022-10-12"],["D5H","2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid","C20 H18 F N O4","COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2;COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O","InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)","Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid","2017-08-01","2020-06-17","2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid","2018-10-31"],["JK7","N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide","C15 H17 N O3","C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4;O[CH]1[CH](NC(=O)C2CCC2)[CH]3O[CH]1c4ccccc34;c1ccc2c(c1)C3C(C(C2O3)O)NC(=O)C4CCC4","InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1","","2018-09-11","2018-10-05","N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide","2018-10-10"],["JK8","(2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine","C21 H17 Cl N2 O2","NC[CH](Oc1noc2ccc(cc12)c3ccccc3Cl)c4ccccc4;c1ccc(cc1)C(CN)Oc2c3cc(ccc3on2)c4ccccc4Cl","InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1","","2019-03-06","2019-04-12","(2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine","2019-04-17"],["D5I","N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide","C17 H21 N3 O2","O=C(NNC(=O)C13CC2CC(C1)CC(C2)C3)c4ccncc4;O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c4ccncc4;c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3","InChI=1S/C17H21N3O2/c21-15(14-1-3-18-4-2-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13-,17-","","2013-09-17","2013-11-29","N'-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]pyridine-4-carbohydrazide","2013-12-04"],["JK9","4-(4-methoxyphenyl)pyridine","C12 H11 N O","COc1ccc(cc1)c2ccncc2;COc1ccc(cc1)c2ccncc2","InChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3","","2022-05-03","2023-03-31","4-(4-methoxyphenyl)pyridine","2023-04-05"],["D5M","2'-DEOXYADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1","","2005-05-03","2011-06-04","2'-deoxy-5'-adenylic acid",""],["JKA","(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol","C9 H17 N O4 S","C1C2C(CN(S(C)(=O)=O)C1CCC2O)O;C[S](=O)(=O)N1C[CH](O)[CH]2C[CH]1CC[CH]2O;CS(=O)(=O)N1CC(C2CC1CCC2O)O","InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1","","2018-09-11","2018-10-05","(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol","2018-10-10"],["D5N","(2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol","C22 H29 F2 N3 O4","O[CH](CN1CCOCC1)Cn2nccc2c3ccc(OC(F)F)c(OC4CCCC4)c3;c1cc(c(cc1c2ccnn2CC(CN3CCOCC3)O)OC4CCCC4)OC(F)F","InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-25-27(19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m0/s1","","2017-12-22","2018-05-11","(2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol","2018-05-16"],["JKB","(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone","C18 H17 F N4 O5","[O-][N+](=O)c1ccc(C(=O)N2CCN(CC2)Cc3ccc(F)cc3)c(c1)[N+]([O-])=O;c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F","InChI=1S/C18H17FN4O5/c19-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)18(24)16-6-5-15(22(25)26)11-17(16)23(27)28/h1-6,11H,7-10,12H2","","2019-03-07","2019-06-14","(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone","2019-06-19"],["D5O","3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one","C16 H18 O4","Oc1cc(O)c2C(=O)OC(=Cc2c1)CC3CCCCC3;c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O","InChI=1S/C16H18O4/c17-12-7-11-8-13(6-10-4-2-1-3-5-10)20-16(19)15(11)14(18)9-12/h7-10,17-18H,1-6H2","","2019-07-03","2020-04-03","3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one","2020-04-08"],["D5P","5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine","C21 H24 N8 S","NCCSc1nc(NCc2ccc(cc2)n3cccn3)c4[nH]nc(C5CCC5)c4n1;c1cnn(c1)c2ccc(cc2)CNc3c4c(c(n[nH]4)C5CCC5)nc(n3)SCCN","InChI=1S/C21H24N8S/c22-9-12-30-21-25-18-17(15-3-1-4-15)27-28-19(18)20(26-21)23-13-14-5-7-16(8-6-14)29-11-2-10-24-29/h2,5-8,10-11,15H,1,3-4,9,12-13,22H2,(H,27,28)(H,23,25,26)","5-(2-azanylethylsulfanyl)-3-cyclobutyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine","2021-12-14","2022-08-22","5-(2-azanylethylsulfanyl)-3-cyclobutyl-~{N}-[(4-pyrazol-1-ylphenyl)methyl]-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2022-07-06"],["JKC","(2S)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid","C13 H18 N2 O4","N[CH](CCCNC(=O)OCc1ccccc1)C(O)=O;c1ccc(cc1)COC(=O)NCCCC(C(=O)O)N","InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1","","2022-08-18","2022-11-11","(2~{S})-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid","2022-11-16"],["JKD","(4R)-7-methyl-2,5-bis{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","C24 H34 N12","Cn1nc(CCc2nc3cc(C)nc(CCc4nc(N5CCCC5)n(C)n4)n3n2)nc1N1CCCC1;Cn1nc(CCc2nn3c(CCc4nn(C)c(n4)N5CCCC5)nc(C)cc3n2)nc1N6CCCC6;Cc1cc2nc(nn2c(n1)CCc3nc(n(n3)C)N4CCCC4)CCc5nc(n(n5)C)N6CCCC6","InChI=1S/C24H34N12/c1-17-16-22-26-18(8-9-19-27-23(32(2)29-19)34-12-4-5-13-34)31-36(22)21(25-17)11-10-20-28-24(33(3)30-20)35-14-6-7-15-35/h16H,4-15H2,1-3H3","","2022-02-01","2022-10-07","(4R)-7-methyl-2,5-bis{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","2022-10-12"],["D5Q","4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide","C29 H26 F N5 O3 S","COc1ccc(OC)c(c1)c2cn(C)c(c2)C(=O)Nc3cc(ccn3)c4[nH]c(SC)nc4c5ccc(F)cc5;Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC","InChI=1S/C29H26FN5O3S/c1-35-16-19(22-15-21(37-2)9-10-24(22)38-3)13-23(35)28(36)32-25-14-18(11-12-31-25)27-26(33-29(34-27)39-4)17-5-7-20(30)8-6-17/h5-16H,1-4H3,(H,33,34)(H,31,32,36)","","2016-12-21","2017-03-28","4-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]-1-methyl-pyrrole-2-carboxamide","2017-04-02"],["JKE","2-sulfanylbenzoic acid","C7 H6 O2 S","O=C(O)c1ccccc1S;OC(=O)c1ccccc1S;c1ccc(c(c1)C(=O)O)S","InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)","","2010-12-20","2026-02-22","2-sulfanylbenzoic acid",""],["D5R","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","C14 H22 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OC(C)(C)C;CC1(CCC(=O)C(C1)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C14H22O5/c1-13(2,3)19-11(16)9-8-14(4,12(17)18-5)7-6-10(9)15/h9H,6-8H2,1-5H3/t9-,14+/m1/s1","","2023-07-17","2024-09-27","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","2024-07-24"],["JKF","6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one","C28 H22 Cl F2 N3 O2","Clc1ccc(cc1)C(OC)(c4ccc2c(C(=CC(=O)N2C)c3c(F)cccc3F)c4)c5cncn5C;CO[C](c1ccc(Cl)cc1)(c2ccc3N(C)C(=O)C=C(c3c2)c4c(F)cccc4F)c5cncn5C;Cn1cncc1C(c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC","InChI=1S/C28H22ClF2N3O2/c1-33-16-32-15-25(33)28(36-3,17-7-10-19(29)11-8-17)18-9-12-24-20(13-18)21(14-26(35)34(24)2)27-22(30)5-4-6-23(27)31/h4-16H,1-3H3/t28-/m1/s1","","2011-09-07","2012-07-06","6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one",""],["D5S","5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid","C15 H12 O6","OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O;c1cc(c(cc1Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O","InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)","5,5'-Methylenedisalicylic acid","2022-04-11","2023-03-24","5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid","2023-03-29"],["JKG","4-({[(thiophen-2-yl)methyl]amino}methyl)phenol","C12 H13 N O S","c2c(CNCc1cccs1)ccc(c2)O;Oc1ccc(CNCc2sccc2)cc1;c1cc(sc1)CNCc2ccc(cc2)O","InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2","","2018-09-11","2018-10-05","4-({[(thiophen-2-yl)methyl]amino}methyl)phenol","2018-10-10"],["D5T","1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi\ndin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione","C30 H38 N4 O6","COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25;CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)C4CC=CCC4C(=N3)c5ccc(c(c5)OC)OC)C","InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1","NPD-226","2017-12-25","2020-06-17","1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione","2019-04-10"],["D5U","2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid","C17 H16 O4","COc1ccccc1C(=O)CCc2ccccc2C(O)=O;COc1ccccc1C(=O)CCc2ccccc2C(=O)O","InChI=1S/C17H16O4/c1-21-16-9-5-4-8-14(16)15(18)11-10-12-6-2-3-7-13(12)17(19)20/h2-9H,10-11H2,1H3,(H,19,20)","","2019-07-04","2020-04-10","2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid","2020-04-15"],["JKH","4-amino-Proline","C5 H11 N2 O2","[NH3+][CH]1CN[CH](C1)C(O)=O;C1C(CNC1C(=O)O)[NH3+]","InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/p+1/t3-,4-/m0/s1","","2019-03-07","2024-09-27","[(3~{S},5~{S})-5-carboxypyrrolidin-3-yl]azanium","2019-05-29"],["JKI","4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide","C17 H13 Br N2 O2 S","Brc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)c3ccccn3;c1ccnc(c1)c2cccc(c2)NS(=O)(=O)c3ccc(cc3)Br","InChI=1S/C17H13BrN2O2S/c18-14-7-9-16(10-8-14)23(21,22)20-15-5-3-4-13(12-15)17-6-1-2-11-19-17/h1-12,20H","","2022-05-04","2023-05-12","4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide","2023-05-17"],["D5V","(1S,2S,3S,4R,5R)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol","C12 H15 N O3 S","c1ccccc1SC2C(C(N)C3OC2OC3)O;N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3)[CH]1O;c1ccc(cc1)SC2C(C(C3COC2O3)N)O","InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9-,10+,11-,12-/m1/s1","","2017-10-20","2020-04-17","(1S,2S,3S,4R,5R)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["JKJ","(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol","C10 H19 N O4 S","COCC1C2(CCC(N1S(=O)(C)=O)CC2)O;COC[CH]1N(C2CCC1(O)CC2)[S](C)(=O)=O;COCC1C2(CCC(N1S(=O)(=O)C)CC2)O","InChI=1S/C10H19NO4S/c1-15-7-9-10(12)5-3-8(4-6-10)11(9)16(2,13)14/h8-9,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1","","2018-09-11","2018-10-05","(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol","2018-10-10"],["D5W","(2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide","C22 H28 Cl2 N6 O2","CC[CH](C)[CH](NC(=O)[CH](N(C)C)c1cc(Cl)cc(Cl)c1)C(=O)NCc2ccnc(C=N)n2;CCC(C)C(C(=O)NCc1ccnc(n1)C=N)NC(=O)C(c2cc(cc(c2)Cl)Cl)N(C)C","InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20-/m0/s1","","2017-12-26","2024-09-27","(2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide","2018-08-15"],["JKK","2-[(3-chlorobenzyl)amino]ethanesulfonic acid","C9 H12 Cl N O3 S","Clc1cc(ccc1)CNCCS(=O)(=O)O;O[S](=O)(=O)CCNCc1cccc(Cl)c1;c1cc(cc(c1)Cl)CNCCS(=O)(=O)O","InChI=1S/C9H12ClNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14)","","2012-06-29","2012-10-26","2-[(3-chlorobenzyl)amino]ethanesulfonic acid","2012-10-26"],["D5X","(2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate","C5 H11 O8 P","O=P(OCC(O)C(O)(O)C(=O)C)(O)O;CC(=O)C(O)(O)[CH](O)CO[P](O)(O)=O;CC(=O)C(C(COP(=O)(O)O)O)(O)O","InChI=1S/C5H11O8P/c1-3(6)5(8,9)4(7)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t4-/m0/s1","","2013-06-27","2013-11-01","(2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate","2013-11-06"],["JKL","(3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide","C27 H37 N3 O3","CC(C)(C)c1ccc(cc1)N(C(=O)CC(C)O)C(c1cccnc1)C(=O)NC1CCCCC1;C[CH](O)CC(=O)N([CH](C(=O)NC1CCCCC1)c2cccnc2)c3ccc(cc3)C(C)(C)C;CC(CC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC3CCCCC3)O","InChI=1S/C27H37N3O3/c1-19(31)17-24(32)30(23-14-12-21(13-15-23)27(2,3)4)25(20-9-8-16-28-18-20)26(33)29-22-10-6-5-7-11-22/h8-9,12-16,18-19,22,25,31H,5-7,10-11,17H2,1-4H3,(H,29,33)/t19-,25-/m1/s1","","2023-08-07","2024-09-27","(3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide","2024-01-24"],["D5Y","methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alaninate","C8 H10 Br N3 O4","O=C1NC(C(=CN1CC(N)C(=O)OC)Br)=O;COC(=O)[CH](N)CN1C=C(Br)C(=O)NC1=O;COC(=O)C(CN1C=C(C(=O)NC1=O)Br)N","InChI=1S/C8H10BrN3O4/c1-16-7(14)5(10)3-12-2-4(9)6(13)11-8(12)15/h2,5H,3,10H2,1H3,(H,11,13,15)/t5-/m0/s1","","2017-10-20","2020-04-17","methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alaninate","2020-04-22"],["JKM","1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(\n1H,3H)-dione","C9 H11 N2 O8 P","O=C1C=CN(C(=O)N1)C2OC(C3OP(=O)(O)OC23)CO;OC[CH]1O[CH]([CH]2O[P](O)(=O)O[CH]12)N3C=CC(=O)NC3=O;C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)OP(=O)(O3)O","InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7+,8+/m1/s1","Uridine 2',3'-cyclophosphate","2012-02-24","2020-06-17","1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione",""],["D5Z","(4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one","C29 H32 N6 O3","COc1ccc(cc1OC)C2=NN(C3CCN(CC3)c4nc(N)nc5ccccc45)C(=O)[CH]6CC=CC[CH]26;COc1ccc(cc1OC)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N","InChI=1S/C29H32N6O3/c1-37-24-12-11-18(17-25(24)38-2)26-20-7-3-4-8-21(20)28(36)35(33-26)19-13-15-34(16-14-19)27-22-9-5-6-10-23(22)31-29(30)32-27/h3-6,9-12,17,19-21H,7-8,13-16H2,1-2H3,(H2,30,31,32)/t20-,21+/m0/s1","","2017-12-28","2019-04-05","(4~{a}~{S},8~{a}~{R})-2-[1-(2-azanylquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2019-04-10"],["D60","2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid","C23 H18 F2 N4 O3","Cn1cc(cn1)c2ccc(C(O)=O)c(CCC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2;Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O","InChI=1S/C23H18F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2,4,6-12H,3,5H2,1H3,(H,26,27)(H,31,32)","","2019-07-04","2020-04-10","2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid","2020-04-15"],["JKN","6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one","C17 H14 F2 N2 O2","CC(C)(O)c1ccc(cc1)C2=Nc3c(F)cc(F)cc3C(=O)N2;CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O","InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-14-12(16(22)21-15)7-11(18)8-13(14)19/h3-8,23H,1-2H3,(H,20,21,22)","","2019-03-08","2019-08-09","6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one","2019-08-14"],["JKO","1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C23 H22 N6 O3","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCOCC1;Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3ccn4cc(nc4c3)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3ccn4cc(nc4c3)c5ccccc5","InChI=1S/C23H22N6O3/c1-27-21(18(14-24-27)23(31)28-9-11-32-12-10-28)22(30)25-17-7-8-29-15-19(26-20(29)13-17)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,30)","","2022-02-01","2022-10-07","1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["D61","(2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid","C36 H41 N O7","O=C(O)C(OCC(=O)O)C(OCCCCCc2ccc1c(cccc1)c2)C(=O)NCCCCCc4cc3ccccc3cc4;OC(=O)CO[CH]([CH](OCCCCCc1ccc2ccccc2c1)C(=O)NCCCCCc3ccc4ccccc4c3)C(O)=O;c1ccc2cc(ccc2c1)CCCCCNC(=O)C(C(C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3","InChI=1S/C36H41NO7/c38-32(39)25-44-34(36(41)42)33(43-22-10-2-4-12-27-18-20-29-14-6-8-16-31(29)24-27)35(40)37-21-9-1-3-11-26-17-19-28-13-5-7-15-30(28)23-26/h5-8,13-20,23-24,33-34H,1-4,9-12,21-22,25H2,(H,37,40)(H,38,39)(H,41,42)/t33-,34-/m1/s1","","2011-01-12","2011-12-16","(2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid",""],["JKP","2,6-dichloropyridine-4-carboxylic acid","C6 H3 Cl2 N O2","OC(c1cc(nc(c1)Cl)Cl)=O;OC(=O)c1cc(Cl)nc(Cl)c1;c1c(cc(nc1Cl)Cl)C(=O)O","InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)","","2018-09-11","2018-10-05","2,6-dichloropyridine-4-carboxylic acid","2018-10-10"],["D62","(4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one","C27 H30 N6 O3 S","COc1ccc(cc1OC)C2=NN(C3CCN(CC3)c4nc(N)nc5sccc45)C(=O)[CH]6CC=CC[CH]26;COc1ccc(cc1OC)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N","InChI=1S/C27H30N6O3S/c1-35-21-8-7-16(15-22(21)36-2)23-18-5-3-4-6-19(18)26(34)33(31-23)17-9-12-32(13-10-17)24-20-11-14-37-25(20)30-27(28)29-24/h3-4,7-8,11,14-15,17-19H,5-6,9-10,12-13H2,1-2H3,(H2,28,29,30)/t18-,19+/m0/s1","","2017-12-28","2019-04-05","(4~{a}~{S},8~{a}~{R})-2-[1-(2-azanylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one","2019-04-10"],["JKQ","(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid","C19 H18 N4 O2 S","CCc1sc2ncnc(N[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3;CCc1c(c2c(ncnc2s1)NC(C)C(=O)O)c3ccc4c(c3)cc[nH]4","InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1","","2019-03-08","2019-08-02","(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid","2019-08-07"],["D63","4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide","C21 H17 N5 O","O=C(N)c1ccc(cc1)c4ccc(c3nc2cc(ccc2n3)C(=[N@H])N)cc4;NC(=N)c1ccc2[nH]c(nc2c1)c3ccc(cc3)c4ccc(cc4)C(N)=O;c1cc(ccc1c2ccc(cc2)C(=O)N)c3[nH]c4ccc(cc4n3)C(=N)N","InChI=1S/C21H17N5O/c22-19(23)16-9-10-17-18(11-16)26-21(25-17)15-7-3-13(4-8-15)12-1-5-14(6-2-12)20(24)27/h1-11H,(H3,22,23)(H2,24,27)(H,25,26)","","2011-04-26","2012-09-07","4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide","2012-09-07"],["JKR","3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate","C29 H34 O11 P2","OP(O)OCCCOc1cccc2c(OCCCO[P](O)(=O)OCCCOc3cccc4c(O)cccc34)cccc12;c1cc2c(cccc2OCCCOP(=O)(O)OCCCOc3cccc4c3cccc4OCCCOP(O)O)c(c1)O","InChI=1S/C29H34O11P2/c30-26-12-1-9-23-22(26)8-2-13-27(23)36-17-6-20-39-42(33,34)40-21-7-18-37-29-15-4-10-24-25(29)11-3-14-28(24)35-16-5-19-38-41(31)32/h1-4,8-15,30-32H,5-7,16-21H2,(H,33,34)","","2022-05-04","2022-11-25","3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate","2022-11-30"],["D64","6-(4-methylphenyl)quinazoline-2,4-diamine","C15 H14 N4","n3c1c(cc(cc1)c2ccc(cc2)C)c(nc3N)N;Cc1ccc(cc1)c2ccc3nc(N)nc(N)c3c2;Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N","InChI=1S/C15H14N4/c1-9-2-4-10(5-3-9)11-6-7-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19)","","2008-07-29","2011-06-04","6-(4-methylphenyl)quinazoline-2,4-diamine",""],["JKS","5-(pyrrolidin-1-yl)pyridine-2-carbonitrile","C10 H11 N3","C1CCCN1c2ccc(C#N)nc2;N#Cc1ccc(cn1)N2CCCC2;c1cc(ncc1N2CCCC2)C#N","InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2","","2018-09-11","2018-10-05","5-(pyrrolidin-1-yl)pyridine-2-carbonitrile","2018-10-10"],["D65","2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C14 H12 F7 N5 S","FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C;Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3nc(nc3n1)C(C)(F)F;Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F","InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3","DSM265","2014-12-09","2021-03-01","2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","2015-07-29"],["JKT","tert-butyl N-[[1-[(3S,5S)-5-[(2S)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate","C28 H41 N7 O5","O=C(OC(C)(C)C)NCc1nnn(c1)C4CN(C(=O)CCCc2ccccc2)C(C(=O)N3C(C(O)N)CCC3)C4;CC(C)(C)OC(=O)NCc1cn(nn1)[CH]2C[CH](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[CH]4[CH](N)O;CC(C)(C)OC(=O)NCc1cn(nn1)C2CC(N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCCC4C(N)O","InChI=1S/C28H41N7O5/c1-28(2,3)40-27(39)30-16-20-17-35(32-31-20)21-15-23(26(38)33-14-8-12-22(33)25(29)37)34(18-21)24(36)13-7-11-19-9-5-4-6-10-19/h4-6,9-10,17,21-23,25,37H,7-8,11-16,18,29H2,1-3H3,(H,30,39)/t21-,22-,23-,25+/m0/s1","","2012-10-01","2024-09-27","tert-butyl ({1-[(3S,5S)-5-({(2S)-2-[(R)-amino(hydroxy)methyl]pyrrolidin-1-yl}carbonyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methyl)carbamate",""],["D66","N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine","C17 H26 N2 O5","O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C;COc1ccc(C[CH](N)[CH](O)C(=O)N[CH](CC(C)C)C(O)=O)cc1;CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccc(cc1)OC)N)O","InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1","Bestatin-derivative 7c","2011-01-11","2021-03-01","N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine",""],["D67","2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","C15 H12 F5 N5","FC(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C;Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(C)(F)F;Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F","InChI=1S/C15H12F5N5/c1-8-7-11(22-10-5-3-9(4-6-10)15(18,19)20)25-13(21-8)23-12(24-25)14(2,16)17/h3-7,22H,1-2H3","","2011-06-14","2011-07-01","2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine",""],["JKU","(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid","C31 H33 N9 O8","NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCCNC(=O)OCc4ccccc4)C(O)=O;c1ccc(cc1)CC(C(=O)NC(CCCNC(=O)OCc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)N=C(NC4=O)N","InChI=1S/C31H33N9O8/c32-30-39-25-24(28(44)40-30)34-15-22(37-25)26(42)35-16-23(41)36-21(14-18-8-3-1-4-9-18)27(43)38-20(29(45)46)12-7-13-33-31(47)48-17-19-10-5-2-6-11-19/h1-6,8-11,15,20-21H,7,12-14,16-17H2,(H,33,47)(H,35,42)(H,36,41)(H,38,43)(H,45,46)(H3,32,37,39,40,44)/t20-,21-/m0/s1","","2022-08-18","2022-11-11","(2~{S})-2-[[(2~{S})-2-[2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid","2022-11-16"],["D68"," 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione","C30 H34 F4 N4 O6","CC1(C)CC(=O)N(CC(=O)N2CCC(CC2)N3N=C([CH]4CC=CC[CH]4C3=O)c5ccc(OC(F)F)c(OC(F)F)c5)C(=O)C1;CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)C4CC=CCC4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C","InChI=1S/C30H34F4N4O6/c1-30(2)14-23(39)37(24(40)15-30)16-25(41)36-11-9-18(10-12-36)38-27(42)20-6-4-3-5-19(20)26(35-38)17-7-8-21(43-28(31)32)22(13-17)44-29(33)34/h3-4,7-8,13,18-20,28-29H,5-6,9-12,14-16H2,1-2H3/t19-,20+/m0/s1","","2017-12-29","2019-04-05","1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione","2019-04-10"],["JKV","3-(4-chlorophenyl)-1H-pyrazol-5-amine","C9 H8 Cl N3","c1(Cl)ccc(cc1)c2cc(N)nn2;Nc1[nH]nc(c1)c2ccc(Cl)cc2;c1cc(ccc1c2cc([nH]n2)N)Cl","InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)","","2018-09-11","2018-10-05","3-(4-chlorophenyl)-1H-pyrazol-5-amine","2018-10-10"],["JKW","2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one","C21 H23 F3 N4 O2 S2","CN1CCC(CC1)CNC2=NC(=O)C(=[SH]2)Cc3csc(n3)c4ccc(OC(F)(F)F)cc4;CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F","InChI=1S/C21H23F3N4O2S2/c1-28-8-6-13(7-9-28)11-25-20-27-18(29)17(32-20)10-15-12-31-19(26-15)14-2-4-16(5-3-14)30-21(22,23)24/h2-5,12-13,32H,6-11H2,1H3,(H,25,27,29)","","2019-03-08","2019-04-19","2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one","2019-04-24"],["D69","[[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C43 H52 N10 O15 P2","O=C2NC(=O)NC5N(c1cc(c(cc1NC25C(c3ccccc3)CC(=[N@H])Cc4ccccc4)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O;Cc1cc2N[C]3([CH](CC(=N)Cc4ccccc4)c5ccccc5)[CH](NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)c2cc1C;Cc1cc2c(cc1C)N(C3C(N2)(C(=O)NC(=O)N3)C(CC(=N)Cc4ccccc4)c5ccccc5)CC(C(C(COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O)O","InChI=1S/C43H52N10O15P2/c1-22-13-28-29(14-23(22)2)52(40-43(51-28,41(59)50-42(60)49-40)27(25-11-7-4-8-12-25)16-26(44)15-24-9-5-3-6-10-24)17-30(54)34(56)31(55)18-65-69(61,62)68-70(63,64)66-19-32-35(57)36(58)39(67-32)53-21-48-33-37(45)46-20-47-38(33)53/h3-14,20-21,27,30-32,34-36,39-40,44,51,54-58H,15-19H2,1-2H3,(H,61,62)(H,63,64)(H2,45,46,47)(H2,49,50,59,60)/b44-26+/t27-,30-,31+,32+,34-,35+,36+,39+,40-,43-/m0/s1","","2014-08-05","2014-09-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3Z)-3-imino-1,4-diphenylbutyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2014-09-10"],["D6A","(3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol","C13 H12 F3 N3 O2","c1cc(C(F)(F)F)ccc1c2noc(n2)C3CC(O)CN3;O[CH]1CN[CH](C1)c2onc(n2)c3ccc(cc3)C(F)(F)F;c1cc(ccc1c2nc(on2)C3CC(CN3)O)C(F)(F)F","InChI=1S/C13H12F3N3O2/c14-13(15,16)8-3-1-7(2-4-8)11-18-12(21-19-11)10-5-9(20)6-17-10/h1-4,9-10,17,20H,5-6H2/t9-,10-/m1/s1","","2017-10-20","2020-04-17","(3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol","2020-04-22"],["JKX","1-(6-fluoropyridin-2-yl)piperidin-4-one","C10 H11 F N2 O","Fc1nc(ccc1)N1CCC(=O)CC1;Fc1cccc(n1)N2CCC(=O)CC2;c1cc(nc(c1)F)N2CCC(=O)CC2","InChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2","","2022-02-01","2022-10-07","1-(6-fluoropyridin-2-yl)piperidin-4-one","2022-10-12"],["JKY","N-[(4-chlorophenyl)methyl]methanesulfonamide","C8 H10 Cl N O2 S","c1(ccc(cc1)CNS(C)(=O)=O)Cl;C[S](=O)(=O)NCc1ccc(Cl)cc1;CS(=O)(=O)NCc1ccc(cc1)Cl","InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3","","2018-09-11","2018-10-05","N-[(4-chlorophenyl)methyl]methanesulfonamide","2018-10-10"],["D6B","methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate","C14 H17 N3 O4 S2","COC(=O)CCN(c1scc(C)n1)c2ccc(cc2)[S](N)(=O)=O;Cc1csc(n1)N(CCC(=O)OC)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H17N3O4S2/c1-10-9-22-14(16-10)17(8-7-13(18)21-2)11-3-5-12(6-4-11)23(15,19)20/h3-6,9H,7-8H2,1-2H3,(H2,15,19,20)","","2021-12-14","2022-08-22","methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate","2022-05-04"],["JKZ","4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one","C9 H8 F3 N O","FC(F)(F)C=1C2=C(NC(=O)C=1)CCC2;FC(F)(F)C1=CC(=O)NC2=C1CCC2;C1CC2=C(C1)NC(=O)C=C2C(F)(F)F","InChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14)","","2010-06-25","2011-06-04","4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one",""],["D6C","[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate","C22 H26 N2 O4 S","COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O;CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC","InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21-/m0/s1","","2019-07-08","2019-10-18","[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate","2019-10-23"],["JL0","3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate","C43 H43 N4 O21 P3","OCCCO[P](O)(=O)OCCCN1C(=O)c2ccc3C(=O)N(CCCO[P](O)(=O)OCCCN4C(=O)c5ccc6C(=O)N(CCCO[P](O)(O)=O)C(=O)c7ccc(C4=O)c5c67)C(=O)c8ccc(C1=O)c2c38;c1cc2c3c(ccc4c3c1C(=O)N(C4=O)CCCOP(=O)(O)O)C(=O)N(C2=O)CCCOP(=O)(O)OCCCN5C(=O)c6ccc7c8c6c(ccc8C(=O)N(C7=O)CCCOP(=O)(O)OCCCO)C5=O","InChI=1S/C43H43N4O21P3/c48-18-5-23-68-71(62,63)67-22-4-17-47-42(55)30-12-10-28-34-29(11-13-31(35(30)34)43(47)56)41(54)46(40(28)53)16-3-21-66-70(60,61)65-20-2-15-45-38(51)26-8-6-24-32-25(7-9-27(33(26)32)39(45)52)37(50)44(36(24)49)14-1-19-64-69(57,58)59/h6-13,48H,1-5,14-23H2,(H,60,61)(H,62,63)(H2,57,58,59)","","2022-05-04","2022-11-25","3-oxidanylpropyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-[3-[oxidanyl-[3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-phosphonooxypropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propoxy]phosphoryl]oxypropyl]-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl hydrogen phosphate","2022-11-30"],["D6D","(1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol","C11 H20 N2 O4","OCC3CCCN3C1C2OCC(C(C1O)N)O2;N[CH]1[CH](O)[CH]([CH]2OC[CH]1O2)N3CCC[CH]3CO;C1CC(N(C1)C2C(C(C3COC2O3)N)O)CO","InChI=1S/C11H20N2O4/c12-8-7-5-16-11(17-7)9(10(8)15)13-3-1-2-6(13)4-14/h6-11,14-15H,1-5,12H2/t6-,7+,8+,9+,10-,11+/m0/s1","","2017-10-20","2020-04-17","(1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["JL1","2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid","C13 H11 N O2 S","c2cnc(Sc1ccc(cc1)C)c(C(=O)O)c2;Cc1ccc(Sc2ncccc2C(O)=O)cc1;Cc1ccc(cc1)Sc2c(cccn2)C(=O)O","InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)","","2018-09-11","2018-10-05","2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid","2018-10-10"],["D6E","(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid","C12 H20 N2 O7","CC(C)C[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;CC(C)CC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1","","2017-12-30","2019-01-25","(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid","2019-01-30"],["D6F","4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide","C39 H39 N4","CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](CC)cc4)c5ccc(cc5)c6cc[n+](CC)cc6;CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC","InChI=1S/C39H39N4/c1-4-40-25-19-34(20-26-40)31-7-13-37(14-8-31)43(38-15-9-32(10-16-38)35-21-27-41(5-2)28-22-35)39-17-11-33(12-18-39)36-23-29-42(6-3)30-24-36/h7-30H,4-6H2,1-3H3/q+3","4-(1-ethylpyridin-1-ium-4-yl)-N,N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline","2019-07-11","2020-06-26","4-(1-ethylpyridin-1-ium-4-yl)-~{N},~{N}-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline","2020-07-01"],["JL2","3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile","C24 H23 N5 O3","COc1cc(Nc2ncc3ccn(c4cccc(CCC#N)c4)c3n2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N","InChI=1S/C24H23N5O3/c1-30-20-13-18(14-21(31-2)22(20)32-3)27-24-26-15-17-9-11-29(23(17)28-24)19-8-4-6-16(12-19)7-5-10-25/h4,6,8-9,11-15H,5,7H2,1-3H3,(H,26,27,28)","","2019-03-08","2019-04-12","3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile","2019-04-17"],["D6G","2-deoxy-6-O-phosphono-alpha-D-glucopyranose","C6 H13 O8 P","O=P(O)(O)OCC1OC(O)CC(O)C1O;O[CH]1C[CH](O)[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+,6+/m1/s1","2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose; 2-deoxy-alpha-D-glucopyranose 6-phosphate;\n2-deoxy-6-O-phosphono-alpha-D-glucose; 2-deoxy-6-O-phosphono-D-glucose; 2-deoxy-6-O-phosphono-glucose","1999-07-08","2020-07-17","2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose",""],["JL3","[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate","C35 H70 N O8 P","CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC","InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1","1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine; PE(15:0/15:0)","2023-08-08","2024-03-01","[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate","2024-03-06"],["JL4","5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid","C9 H7 N O2 S2","c2(ccc(c1nc(C)sc1)s2)C(=O)O;Cc1scc(n1)c2sc(cc2)C(O)=O;Cc1nc(cs1)c2ccc(s2)C(=O)O","InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)","","2018-09-11","2018-10-05","5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid","2018-10-10"],["D6I","6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine","C21 H23 N7 O","n2c1ccccc1n(c2)c4ncnc(Nc3ncc(OCCCN(C)C)cc3)c4;CN(C)CCCOc1ccc(Nc2cc(ncn2)n3cnc4ccccc34)nc1;CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4","InChI=1S/C21H23N7O/c1-27(2)10-5-11-29-16-8-9-19(22-13-16)26-20-12-21(24-14-23-20)28-15-25-17-6-3-4-7-18(17)28/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H,22,23,24,26)","","2013-07-25","2014-09-05","6-(1H-benzimidazol-1-yl)-N-{5-[3-(dimethylamino)propoxy]pyridin-2-yl}pyrimidin-4-amine","2014-08-13"],["D6J","(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide","C29 H35 N5 O4 S","CC[CH](N(C)C(=O)[CH](Cc1ccccc1)N[S](=O)(=O)Cc2ccccc2)C(=O)NCc3ccc(cc3)C(N)=N;CCC(C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)C(Cc2ccccc2)NS(=O)(=O)Cc3ccccc3","InChI=1S/C29H35N5O4S/c1-3-26(28(35)32-19-22-14-16-24(17-15-22)27(30)31)34(2)29(36)25(18-21-10-6-4-7-11-21)33-39(37,38)20-23-12-8-5-9-13-23/h4-17,25-26,33H,3,18-20H2,1-2H3,(H3,30,31)(H,32,35)/t25-,26+/m1/s1","","2015-03-17","2016-01-22","(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide","2016-01-27"],["JL5","(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid","C29 H31 Cl N4 O4 S","CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4cc(N5CCN(C)CC5)c(O)c(Cl)c4C;CCc1c(c2c(ncnc2s1)OC(Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C","InChI=1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1","","2019-03-09","2019-08-02","(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid","2019-08-07"],["JL6","6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H23 N7 O","O=C(NC1CCN(C1)c1ncccc1)c1nc(ccc1Nc1cncnc1)C1CC1;O=C(N[CH]1CCN(C1)c2ccccn2)c3nc(ccc3Nc4cncnc4)C5CC5;c1ccnc(c1)N2CCC(C2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C22H23N7O/c30-22(27-16-8-10-29(13-16)20-3-1-2-9-25-20)21-19(26-17-11-23-14-24-12-17)7-6-18(28-21)15-4-5-15/h1-3,6-7,9,11-12,14-16,26H,4-5,8,10,13H2,(H,27,30)/t16-/m1/s1","","2022-02-01","2022-10-07","6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["D6K","(4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol","C7 H14 O3","C[CH]1C[CH](O)OC(C)(C)O1;CC1CC(OC(O1)(C)C)O","InChI=1S/C7H14O3/c1-5-4-6(8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1","","2018-01-02","2019-01-25","(4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol","2019-01-30"],["D6M","N-hexadecanoyl-L-glutamic acid","C21 H39 N O5","O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O;CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1","","2012-04-02","2024-09-27","N-hexadecanoyl-L-glutamic acid","2013-07-10"],["JL7","2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid","C11 H6 F3 N O2 S","c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F;OC(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F;c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F","InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)","","2018-09-11","2018-10-05","2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid","2018-10-10"],["D6N","FeV","C Fe7 N S7 V","N[Fe]1S[V]2S[Fe][C]1345[Fe]S[Fe]3S[Fe]S[Fe]4S[Fe]5S2;C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81","InChI=1S/C.7Fe.HN.7S.V/h;;;;;;;;1H;;;;;;;;","","2018-01-02","2018-03-23","","2018-03-28"],["JL8","(2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid","C24 H21 Cl N2 O4 S","CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(O)c(Cl)c4C;CCc1c(c2c(ncnc2s1)OC(Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O","InChI=1S/C24H21ClN2O4S/c1-3-18-19(15-9-10-16(28)21(25)13(15)2)20-22(26-12-27-23(20)32-18)31-17(24(29)30)11-14-7-5-4-6-8-14/h4-10,12,17,28H,3,11H2,1-2H3,(H,29,30)/t17-/m1/s1","","2019-03-09","2019-08-02","(2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid","2019-08-07"],["JL9","2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one","C18 H23 N5 O","O=C1NC(=NC2=C1CCCC2)N3CCN(CC3)Cc4ccncc4;c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3","InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)","","2015-03-06","2015-07-24","2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one","2015-07-29"],["D6O","(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid","C5 H5 N O4","OC(=O)C=CC(=O)NC=O;C(=CC(=O)O)C(=O)NC=O","InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-","","2019-07-11","2020-12-11","(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid","2020-12-16"],["JLA","4-(piperidin-1-yl)benzoic acid","C12 H15 N O2","C1CCN(CC1)c2ccc(C(=O)O)cc2;OC(=O)c1ccc(cc1)N2CCCCC2;c1cc(ccc1C(=O)O)N2CCCCC2","InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)","","2018-09-11","2018-10-05","4-(piperidin-1-yl)benzoic acid","2018-10-10"],["D6P","(3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-PHOSPHONIC ACID","C7 H15 O7 P","O=P(O)(O)/C=C/C(O)C(O)C(O)CCO;OCC[CH](O)[CH](O)[CH](O)C=C[P](O)(O)=O;C(CO)C(C(C(C=CP(=O)(O)O)O)O)O","InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1","2-DEOXY-D-GLUCITOL 6-(E)-VINYLHOMOPHOSPHONATE","2003-12-03","2020-06-17","(6E)-2,6,7-trideoxy-7-phosphono-D-arabino-hept-6-enitol",""],["JLB","(2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid","C19 H17 N3 O3 S","CCc1sc2ncnc(O[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3;CCc1c(c2c(ncnc2s1)OC(C)C(=O)O)c3ccc4c(c3)cc[nH]4","InChI=1S/C19H17N3O3S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(25-10(2)19(23)24)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,23,24)/t10-/m1/s1","","2019-03-09","2019-08-02","(2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid","2019-08-07"],["D6Q","2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide","C23 H19 F5 N6 O3","Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c4cnc5[nH]ncc5c4)c2c1F;c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F","InChI=1S/C23H19F5N6O3/c24-14-1-2-15-17(18(14)25)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32)","","2018-01-03","2018-11-23","2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide","2018-11-28"],["JLC","~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide","C17 H14 N6 O","Cn1cc(NC(=O)c2cc(nc3ccnn23)c4ccccc4)cn1;Cn1cc(cn1)NC(=O)c2cc(nc3n2ncc3)c4ccccc4","InChI=1S/C17H14N6O/c1-22-11-13(10-19-22)20-17(24)15-9-14(12-5-3-2-4-6-12)21-16-7-8-18-23(15)16/h2-11H,1H3,(H,20,24)","","2022-05-05","2023-01-27","~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide","2023-02-01"],["D6R","6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one","C18 H15 N O4","COc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34;CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC","InChI=1S/C18H15NO4/c1-19-13-9-10-8-11(21-2)4-6-14(10)23-17-15(22-3)7-5-12(16(13)17)18(19)20/h4-9H,1-3H3","","2019-07-12","2020-07-03","","2020-07-08"],["JLD","[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol","C13 H18 F N O","c2(C1CCN(C)CC1CO)ccc(cc2)F;CN1CC[CH]([CH](CO)C1)c2ccc(F)cc2;CN1CCC(C(C1)CO)c2ccc(cc2)F","InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1","","2018-09-11","2018-10-05","[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol","2018-10-10"],["D6S","(1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol","C14 H20 N2 O3","c3cccc(CN(C1C2OC(C(N)C1O)CO2)C)c3;CN(Cc1ccccc1)[CH]2[CH](O)[CH](N)[CH]3CO[CH]2O3;CN(Cc1ccccc1)C2C(C(C3COC2O3)N)O","InChI=1S/C14H20N2O3/c1-16(7-9-5-3-2-4-6-9)12-13(17)11(15)10-8-18-14(12)19-10/h2-6,10-14,17H,7-8,15H2,1H3/t10-,11-,12-,13+,14-/m1/s1","","2017-10-20","2020-04-17","(1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["JLE","(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","C25 H22 N4 O2 S","CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc5[nH]ccc45;CCc1c(c2c(ncnc2s1)NC(Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5","InChI=1S/C25H22N4O2S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)29-19(25(30)31)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,30,31)(H,27,28,29)/t19-/m1/s1","","2019-03-09","2019-08-02","(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","2019-08-07"],["D6T","~{N}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide","C46 H50 N6 O7","CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(CCN6CCc7cc(OC)c(OCCOCCOCCOC)cc7C6)cc5;CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC","InChI=1S/C46H50N6O7/c1-4-43(53)38-15-11-35(27-41(38)48-46(54)40-16-12-33-7-5-6-8-39(33)47-40)42-31-52(50-49-42)37-13-9-32(10-14-37)17-19-51-20-18-34-28-44(56-3)45(29-36(34)30-51)59-26-25-58-24-23-57-22-21-55-2/h5-16,27-29,31H,4,17-26,30H2,1-3H3,(H,48,54)","","2018-01-03","2018-04-06","~{N}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide","2018-04-11"],["JLG","2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid","C8 H5 N O2 S2","c2c(c1scc(C(=O)O)n1)scc2;OC(=O)c1csc(n1)c2sccc2;c1cc(sc1)c2nc(cs2)C(=O)O","InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)","","2018-09-11","2018-10-05","2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid","2018-10-10"],["D6U","16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one","C23 H18 N2 O4","COc1ccc2C(=O)N(C)C3=Cc4cc(OCc5ccccn5)ccc4Oc1c23;CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5","InChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3","","2019-07-12","2020-07-03","","2020-07-08"],["D6V","2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole","C11 H13 N3","c32nc(C1CNCC1)nc2cccc3;C1C[CH](CN1)c2[nH]c3ccccc3n2;c1ccc2c(c1)[nH]c(n2)C3CCNC3","InChI=1S/C11H13N3/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)/t8-/m0/s1","","2017-10-20","2020-04-17","2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole","2020-04-22"],["JLH","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid","C31 H35 Cl N4 O4 S","CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C;CCc1c(c2c(ncnc2s1)OC(Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C","InChI=1S/C31H35ClN4O4S/c1-4-25-26(22-10-11-23(28(32)20(22)2)39-17-16-36-14-12-35(3)13-15-36)27-29(33-19-34-30(27)41-25)40-24(31(37)38)18-21-8-6-5-7-9-21/h5-11,19,24H,4,12-18H2,1-3H3,(H,37,38)/t24-/m1/s1","","2019-03-09","2019-08-02","(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid","2019-08-07"],["JLI","1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid","C18 H14 N6 O3","OC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;Cn1ncc(C(O)=O)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;Cn1c(c(cn1)C(=O)O)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4","InChI=1S/C18H14N6O3/c1-23-15(12(9-19-23)17(26)27)16(25)21-14-7-8-24-10-13(20-18(24)22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,26,27)(H,20,21,22,25)","","2022-02-01","2022-10-07","1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid","2022-10-12"],["D6W","2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide","C24 H26 N6 O3","CNC(=O)CN1CN(c2ccccc2)C3(CCN(CC3)C(=O)c4ccc5n[nH]cc5c4)C1=O;CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5","InChI=1S/C24H26N6O3/c1-25-21(31)15-29-16-30(19-5-3-2-4-6-19)24(23(29)33)9-11-28(12-10-24)22(32)17-7-8-20-18(13-17)14-26-27-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,31)(H,26,27)","","2018-01-03","2018-11-23","2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide","2018-11-28"],["JLJ","4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile","C17 H18 N4 O2","N#Cc1ccc(cc1OCC=C(/C)C)Nc2nc(OC)ccn2;COc1ccnc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1;CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C","InChI=1S/C17H18N4O2/c1-12(2)7-9-23-15-10-14(5-4-13(15)11-18)20-17-19-8-6-16(21-17)22-3/h4-8,10H,9H2,1-3H3,(H,19,20,21)","","2013-05-14","2013-08-09","4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile","2013-08-14"],["D6X","N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine","C18 H18 N6","Cc1cc(C)n2nc(CCNc3ccc4ccccc4n3)nc2n1;Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C","InChI=1S/C18H18N6/c1-12-11-13(2)24-18(20-12)22-17(23-24)9-10-19-16-8-7-14-5-3-4-6-15(14)21-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)","","2019-07-12","2019-08-09","~{N}-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine","2019-08-14"],["JLK","(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","C24 H23 N3 O2 S","CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4ccccc4C;CCc1c(c2c(ncnc2s1)NC(Cc3ccccc3)C(=O)O)c4ccccc4C","InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1","","2019-03-11","2019-08-02","(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid","2019-08-07"],["D6Y","3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine","C11 H18 N2 O2","c1(onc(c1)CC2(N)COC2)C(C)(C)C;CC(C)(C)c1onc(CC2(N)COC2)c1;CC(C)(C)c1cc(no1)CC2(COC2)N","InChI=1S/C11H18N2O2/c1-10(2,3)9-4-8(13-15-9)5-11(12)6-14-7-11/h4H,5-7,12H2,1-3H3","","2017-10-20","2020-04-17","3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine","2020-04-22"],["JLL","(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid","C48 H60 N12 O12 S4","O[S](=O)(=O)C[CH](NC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(=O)NCC3=C4C=CC(=N4)C=C5NC(=C(CNC(=O)[CH](C[S](O)(=O)=O)NC(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]67)C8=NC(=C[CH]9N[CH]3C=C9)C=C8)C=C5;C1C2C(C(S1)CCCCC(=O)NC(CS(=O)(=O)O)C(=O)NCC3=C4C=CC(=N4)C=C5C=CC(=C(C6=NC(=CC7C=CC3N7)C=C6)CNC(=O)C(CS(=O)(=O)O)NC(=O)CCCCC8C9C(CS8)NC(=O)N9)N5)NC(=O)N2","InChI=1S/C48H60N12O12S4/c61-41(7-3-1-5-39-43-35(21-73-39)57-47(65)59-43)55-37(23-75(67,68)69)45(63)49-19-29-31-13-9-25(51-31)17-27-11-15-33(53-27)30(34-16-12-28(54-34)18-26-10-14-32(29)52-26)20-50-46(64)38(24-76(70,71)72)56-42(62)8-4-2-6-40-44-36(22-74-40)58-48(66)60-44/h9-18,25,31,35-40,43-44,51,54H,1-8,19-24H2,(H,49,63)(H,50,64)(H,55,61)(H,56,62)(H2,57,59,65)(H2,58,60,66)(H,67,68,69)(H,70,71,72)/b27-17-,28-18-,32-29-,34-30-/t25-,31+,35+,36+,37+,38+,39+,40+,43+,44+/m1/s1","Iron-Porphyrin","2022-05-05","2022-08-22","(2~{R})-2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(1~{R},4~{S},5~{Z},10~{Z},14~{Z},19~{Z})-15-[[[(2~{R})-2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid","2022-07-13"],["D6Z","2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide","C23 H20 Br F3 N6 O3","FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c3ccc4[nH]ncc4n3)c5c(Br)cccc15;c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F","InChI=1S/C23H20BrF3N6O3/c24-13-2-1-3-17-19(13)22(21(36)33(17)11-18(34)28-12-23(25,26)27)6-8-32(9-7-22)20(35)15-5-4-14-16(30-15)10-29-31-14/h1-5,10H,6-9,11-12H2,(H,28,34)(H,29,31)","","2018-01-03","2018-11-23","2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide","2018-11-28"],["JLM","3-methyl-1-benzofuran-2-carboxylic acid","C10 H8 O3","c12c(C)c(C(O)=O)oc1cccc2;Cc1c(oc2ccccc12)C(O)=O;Cc1c2ccccc2oc1C(=O)O","InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)","","2018-09-11","2018-10-05","3-methyl-1-benzofuran-2-carboxylic acid","2018-10-10"],["D70","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate","C38 H50 N10 O15 P2","O=C2NC(=O)NC4N(c1cc(c(cc1NC24C(c3ccccc3)CC(=[N@H])CC)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC7OC(n6cnc5c(ncnc56)N)C(O)C7O;CCC(=N)C[CH](c1ccccc1)[C]23Nc4cc(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH]2NC(=O)NC3=O;CCC(=N)CC(c1ccccc1)C23C(NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O","InChI=1S/C38H50N10O15P2/c1-4-21(39)12-22(20-8-6-5-7-9-20)38-35(44-37(55)45-36(38)54)47(24-11-19(3)18(2)10-23(24)46-38)13-25(49)29(51)26(50)14-60-64(56,57)63-65(58,59)61-15-27-30(52)31(53)34(62-27)48-17-43-28-32(40)41-16-42-33(28)48/h5-11,16-17,22,25-27,29-31,34-35,39,46,49-53H,4,12-15H2,1-3H3,(H,56,57)(H,58,59)(H2,40,41,42)(H2,44,45,54,55)/b39-21+/t22-,25-,26+,27+,29-,30+,31+,34+,35-,38-/m0/s1","","2014-08-05","2014-09-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2014-09-10"],["JLN","5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID","C10 H14 N3 O10 P","O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc(C(O)=O)c2NC=O;c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)O","InChI=1S/C10H14N3O10P/c14-3-12-8-5(10(17)18)11-2-13(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H,12,14)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1","","2011-09-02","2023-09-23","1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-formamido-imidazole-4-carboxylic acid",""],["D71","1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","C19 H13 N5 O4","[O-][N+](=O)c4cccc(N2c1ncccc1C(=O)N(C2=O)Cc3ccncc3)c4;[O-][N+](=O)c1cccc(c1)N2C(=O)N(Cc3ccncc3)C(=O)c4cccnc24;c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4","InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2","","2009-02-16","2011-06-04","1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione",""],["JLO","(2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal","C18 H21 N O","c13cc(cc2c1N(CCC2)CCC3)[C@H]=C/C(C)=C/C=O;CC(=CC=O)C=Cc1cc2CCCN3CCCc(c1)c23;CC(=CC=O)C=Cc1cc2c3c(c1)CCCN3CCC2","InChI=1S/C18H21NO/c1-14(8-11-20)6-7-15-12-16-4-2-9-19-10-3-5-17(13-15)18(16)19/h6-8,11-13H,2-5,9-10H2,1H3/b7-6+,14-8+","","2018-01-24","2024-09-27","(2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal","2018-04-25"],["D72","(2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid","C15 H13 Cl2 F3 O4","O=C(O)C1=Cc2c(OC1C(F)(F)F)c(Cl)c(OCC(C)C)c(Cl)c2;CC(C)COc1c(Cl)cc2C=C([CH](Oc2c1Cl)C(F)(F)F)C(O)=O;CC(C)COc1c(cc2c(c1Cl)OC(C(=C2)C(=O)O)C(F)(F)F)Cl","InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1","","2010-07-13","2011-06-04","(2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid",""],["D73","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate","C37 H46 N10 O15 P2","O=C2NC(=O)N=C3N(c1cc(c(cc1NC23C(c4ccccc4)CC(=[N@H])C)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC7OC(n6cnc5c(ncnc56)N)C(O)C7O;CC(=N)C[CH](c1ccccc1)[C]23Nc4cc(C)c(C)cc4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)C2=NC(=O)NC3=O;Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)C(CC(=N)C)c4ccccc4)CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O","InChI=1S/C37H46N10O15P2/c1-17-9-22-23(10-18(17)2)46(34-37(45-22,35(53)44-36(54)43-34)21(11-19(3)38)20-7-5-4-6-8-20)12-24(48)28(50)25(49)13-59-63(55,56)62-64(57,58)60-14-26-29(51)30(52)33(61-26)47-16-42-27-31(39)40-15-41-32(27)47/h4-10,15-16,21,24-26,28-30,33,38,45,48-52H,11-14H2,1-3H3,(H,55,56)(H,57,58)(H2,39,40,41)(H,44,53,54)/b38-19+/t21-,24-,25+,26+,28-,29+,30+,33+,37-/m0/s1","","2014-08-05","2014-09-05","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2014-09-10"],["JLP","(2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid","C14 H21 N3 O4","Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)CO)C=NCCCCC(C(=O)O)N)O","InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1","","2018-06-03","2024-09-27","(2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid","2019-05-29"],["D74","(1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol","C12 H17 N O2","c2c(C1C(C(C(C1)O)O)N)cc(cc2)C;Cc1cccc(c1)[CH]2C[CH](O)[CH](O)[CH]2N;Cc1cccc(c1)C2CC(C(C2N)O)O","InChI=1S/C12H17NO2/c1-7-3-2-4-8(5-7)9-6-10(14)12(15)11(9)13/h2-5,9-12,14-15H,6,13H2,1H3/t9-,10-,11-,12-/m1/s1","","2017-10-20","2020-04-17","(1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol","2020-04-22"],["JLQ","[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate","C35 H70 N O8 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC","InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1","1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine; PE(16:0/14:0)","2023-08-08","2024-03-01","[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate","2024-03-06"],["D75","DAIDZEIN-7-O-GLUCURONIDE","C21 H18 O10","O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc3c(OC=C(C3=O)c4ccc(O)cc4)c2;c1cc(ccc1C2=COc3cc(ccc3C2=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O","InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1","","2015-03-09","2015-10-16","(2S,3S,4S,5R,6S)-6-[3-(4-hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","2015-10-21"],["JLR","3-[1-(naphthalen-1-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","C24 H15 F3 N4 O2","FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cccc2ccccc12;FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5ccccc45;c1ccc2c(c1)cccc2n3c(ccn3)C4=NN(C=CC4=O)c5cccc(c5)OC(F)(F)F","InChI=1S/C24H15F3N4O2/c25-24(26,27)33-18-8-4-7-17(15-18)30-14-12-22(32)23(29-30)21-11-13-28-31(21)20-10-3-6-16-5-1-2-9-19(16)20/h1-15H","","2022-02-01","2022-10-07","3-[1-(naphthalen-1-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one","2022-10-12"],["D76","(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ\nINE-2-CARBOXAMIDE","C23 H24 Cl N5 O4 S2","Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)N)N(C(=O)c3nc4c(s3)CN(CC4)C)CC5;CN1CCc2nc(sc2C1)C(=O)N3CCN(C[CH]3C(N)=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4;CN1CCc2c(sc(n2)C(=O)N3CCN(CC3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1","InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1","1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL]\nCARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE","2003-11-10","2020-06-17","(2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide",""],["JLS","(15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide","C48 H93 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC=C/CCCCCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O)O","InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(52)49-40(39-57-48-47(56)46(55)45(54)42(38-50)58-48)44(53)41(51)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40-42,44-48,50-51,53-56H,3-16,19-39H2,1-2H3,(H,49,52)/b18-17-/t40-,41+,42+,44-,45-,46-,47+,48-/m0/s1","PBS-44","2013-08-01","2020-06-17","(15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide","2013-10-02"],["JLT","3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol","C8 H18 O10 P2","O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O;C(CP(=O)(O)O)C1C(C(C(C(O1)CP(=O)(O)O)O)O)O","InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1","[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid","2019-03-11","2020-07-17","[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid","2020-04-01"],["D77","methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate","C29 H21 N O11","COC(C(O)C(C15OC16c4cc(O)c3C(=O)c2ccc(O)c(c2C(c3c4NC5C#CC=CC#CC6O)=O)O)(C)O)=O;COC(=O)[CH](O)[C](C)(O)[C]12O[C]13[CH](O)C#CC=CC#C[CH]2Nc4c3cc(O)c5C(=O)c6ccc(O)c(O)c6C(=O)c45;CC(C(C(=O)OC)O)(C12C3C#CC=CC#CC(C1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O","InChI=1S/C29H21NO11/c1-27(39,25(37)26(38)40-2)29-16-7-5-3-4-6-8-17(33)28(29,41-29)13-11-15(32)19-20(21(13)30-16)24(36)18-12(22(19)34)9-10-14(31)23(18)35/h3-4,9-11,16-17,25,30-33,35,37,39H,1-2H3/b4-3-/t16-,17+,25-,27+,28-,29+/m0/s1","","2017-10-20","2018-06-29","methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate","2018-07-04"],["1H2","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol","C18 H17 N O3","n3oc(c(c1cc(O)cc(c1)C(O)c2ccccc2)c3C)C;Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3ccccc3;Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3ccccc3)O","InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1","","2013-02-01","2013-02-08","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol","2013-02-08"],["JLU","9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one","C21 H25 F N10 O10 P2","NC1=NC(=O)c2ncn([CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4C3)n6cnc7c(N)ncnc67)c2N1;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5CC(CC5COP(=O)(O4)O)n6cnc7c6NC(=NC7=O)N)O)F)N","InChI=1S/C21H25FN10O10P2/c22-12-15-11(40-20(12)32-7-27-13-16(23)25-5-26-17(13)32)4-39-43(34,35)41-10-2-9(1-8(10)3-38-44(36,37)42-15)31-6-28-14-18(31)29-21(24)30-19(14)33/h5-12,15,20H,1-4H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t8-,9-,10+,11-,12-,15-,20-/m1/s1","","2022-05-05","2023-10-20","9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one","2023-10-25"],["1H3","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol","C18 H17 N O3","n3oc(c(c1cc(O)cc(c1)C(O)c2ccccc2)c3C)C;Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3ccccc3;Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3ccccc3)O","InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m0/s1","","2013-02-01","2013-02-08","3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol","2013-02-08"],["JLV","N-cyclohexyl-N'-methylthiourea","C8 H16 N2 S","C1CCCC(NC(NC)=S)C1;CNC(=S)NC1CCCCC1;CNC(=S)NC1CCCCC1","InChI=1S/C8H16N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)","","2018-09-11","2018-10-05","N-cyclohexyl-N'-methylthiourea","2018-10-10"],["JLW","3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide","C22 H29 N5 O5 S","CN(C)C(=O)c1c(C)ccc(NC2=N[S](=O)(=O)N=C2N[CH](c3oc(C)cc3)C(C)(C)C)c1O;Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2NC(c3ccc(o3)C)C(C)(C)C","InChI=1S/C22H29N5O5S/c1-12-8-10-14(17(28)16(12)21(29)27(6)7)23-19-20(26-33(30,31)25-19)24-18(22(3,4)5)15-11-9-13(2)32-15/h8-11,18,28H,1-7H3,(H,23,25)(H,24,26)/t18-/m0/s1","","2019-03-11","2019-08-30","3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide","2019-09-04"],["1H4","N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide","C25 H32 N6 O2","O=C(NCCCNc1nc(ncc1C2CC2)Nc3cccc(c3)N4C(=O)CCC4)C5CCC5;O=C1CCCN1c2cccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C5CCC5)n3)c2;c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5","InChI=1S/C25H32N6O2/c32-22-9-3-14-31(22)20-8-2-7-19(15-20)29-25-28-16-21(17-10-11-17)23(30-25)26-12-4-13-27-24(33)18-5-1-6-18/h2,7-8,15-18H,1,3-6,9-14H2,(H,27,33)(H2,26,28,29,30)","","2013-02-01","2013-04-15","N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide","2013-03-13"],["JLX","N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","C16 H13 F3 N6","FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12;c1ccc2c(c1)c(c[nH]2)CCNc3ccc4nnc(n4n3)C(F)(F)F","InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24)","","2022-08-22","2023-01-13","~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine","2023-01-18"],["1H5","N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C18 H14 F3 N5 O2","FCC1(N=C(OCC1F)N)c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F;NC1=N[C](CF)([CH](F)CO1)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(C(COC(=N3)N)F)CF)F","InChI=1S/C18H14F3N5O2/c19-9-18(15(21)8-28-17(23)26-18)12-5-11(2-3-13(12)20)25-16(27)14-4-1-10(6-22)7-24-14/h1-5,7,15H,8-9H2,(H2,23,26)(H,25,27)/t15-,18+/m0/s1","","2013-02-04","2013-04-26","N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JLY","4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine","C14 H13 N O S","c23c(C(c1ccc(OC)cc1)=NCC2)ccs3;COc1ccc(cc1)C2=NCCc3sccc23;COc1ccc(cc1)C2=NCCc3c2ccs3","InChI=1S/C14H13NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9H,6,8H2,1H3","","2018-09-11","2018-10-05","4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine","2018-10-10"],["1H6","N-{3-[(4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C18 H15 F2 N5 O2","FC1C(N=C(OC1)N)(c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F)C;C[C]1(N=C(N)OC[CH]1F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C(COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1","","2013-02-04","2013-04-26","N-{3-[(4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["1H7","N-{3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C18 H15 F2 N5 O2","FC1C(N=C(OC1)N)(c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F)C;C[C]1(N=C(N)OC[CH]1F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C(COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1","","2013-02-04","2013-04-26","N-{3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JLZ","3-fluoro-4-methylbenzenecarboximidamide","C8 H9 F N2","Fc1cc(C(=[N@H])N)ccc1C;Cc1ccc(cc1F)C(N)=N;Cc1ccc(cc1F)C(=N)N","InChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)","","2010-06-25","2011-06-04","3-fluoro-4-methylbenzenecarboximidamide",""],["1H8","N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C18 H16 F N5 O2","N#Cc1ccc(nc1)C(=O)Nc2cc(c(F)cc2)C3(N=C(OCC3)N)C;C[C]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1","","2013-02-04","2013-12-20","N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-12-25"],["JM0","N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide","C15 H19 N5 O3 S","CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC;CCCc1nc(C)c2n1c3nc(OC)ccc3nc2N[S](C)(=O)=O;CCCc1nc(c2n1c3c(ccc(n3)OC)nc2NS(=O)(=O)C)C","InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)","","2022-02-01","2022-10-07","N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide","2022-10-12"],["JM1","FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX","C23 H12 F N3 O3 Ru","Fc6cn%11[Ru]4132(C5C1C2C3C45)(C#[O+])n9c8c%11c(c6)c7c(C(NC7=O)=O)c8c%10c9cccc%10;Fc1cn2|[Ru]|3|4|5|6(|C7C|3C|4C|5C|67)(C#[O+])n8c9ccccc9c%10c8c2c(c1)c%11C(=O)NC(=O)c%10%11;c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+]","InChI=1S/C17H8FN3O2.C5H5.CO.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7;1-2-4-5-3-1;1-2;/h1-6H,(H2,19,20,21,22,23);1-5H;;/q;;2*+1/p-1","","2007-01-17","2018-04-18","carbonyl[(1,2,3,4,5-eta)-cyclopentadienyl](3-fluoro-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)",""],["1H9","8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one","C18 H12 Br N O2 S","Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1;c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O","InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21)","","2021-06-10","2021-12-03","8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one","2021-12-08"],["JM2","N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine","C8 H17 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CSC;CSCC(=N)NCCC[CH](N)C(O)=O;CSCC(=N)NCCCC(C(=O)O)N","InChI=1S/C8H17N3O2S/c1-14-5-7(10)11-4-2-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1","","2009-09-15","2011-06-04","N~5~-[(1E)-2-(methylsulfanyl)ethanimidoyl]-L-ornithine",""],["1HA","1-hydroxy-2-naphthoyl-CoA","C32 H42 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c5ccc4ccccc4c5O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O","InChI=1S/C32H42N7O18P3S/c1-32(2,26(43)29(44)35-10-9-21(40)34-11-12-61-31(45)19-8-7-17-5-3-4-6-18(17)23(19)41)14-54-60(51,52)57-59(49,50)53-13-20-25(56-58(46,47)48)24(42)30(55-20)39-16-38-22-27(33)36-15-37-28(22)39/h3-8,15-16,20,24-26,30,41-43H,9-14H2,1-2H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t20-,24-,25-,26+,30-/m1/s1","","2012-11-29","2013-05-03","S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 1-hydroxynaphthalene-2-carbothioate (non-preferred name)","2013-05-08"],["JM3","5-(morpholin-4-ylmethyl)quinolin-8-ol","C14 H16 N2 O2","Oc1ccc(CN2CCOCC2)c3cccnc13;c1cc2c(ccc(c2nc1)O)CN3CCOCC3","InChI=1S/C14H16N2O2/c17-13-4-3-11(10-16-6-8-18-9-7-16)12-2-1-5-15-14(12)13/h1-5,17H,6-10H2","","2022-05-05","2022-11-25","5-(morpholin-4-ylmethyl)quinolin-8-ol","2022-11-30"],["1HB","(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide","C7 H16 N2 O2","O=C(N(C)C)CCC(N)CO;CN(C)C(=O)CC[CH](N)CO;CN(C)C(=O)CCC(CO)N","InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1","N,N-dimethyl-L-glutamine aldehyde, bound form","2013-02-04","2024-09-27","(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide","2013-02-15"],["1HC","prop-2-enamide","C3 H5 N O","O=C(C=C)N;NC(=O)C=C;C=CC(=O)N","InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)","","2013-02-04","2014-02-07","prop-2-enamide","2014-02-12"],["JM4","N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine","C11 H23 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CCSC(C)C;CC(C)SCCC(=N)NCCC[CH](N)C(O)=O;CC(C)SCCC(=N)NCCCC(C(=O)O)N","InChI=1S/C11H23N3O2S/c1-8(2)17-7-5-10(13)14-6-3-4-9(12)11(15)16/h8-9H,3-7,12H2,1-2H3,(H2,13,14)(H,15,16)/t9-/m0/s1","","2009-09-17","2011-06-04","N~5~-[(1Z)-3-(propan-2-ylsulfanyl)propanimidoyl]-L-ornithine",""],["1HD","N-[(2S)-2-amino-3-hydroxypropyl]acetamide","C5 H12 N2 O2","O=C(NCC(N)CO)C;CC(=O)NC[CH](N)CO;CC(=O)NCC(CO)N","InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1","","2013-02-05","2024-09-27","N-[(2S)-2-amino-3-hydroxypropyl]acetamide","2013-02-15"],["JM5","N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine","C10 H21 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CSCCC;CCCSCC(=N)NCCC[CH](N)C(O)=O;CCCSCC(=N)NCCCC(C(=O)O)N","InChI=1S/C10H21N3O2S/c1-2-6-16-7-9(12)13-5-3-4-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1","","2009-09-17","2011-06-04","N~5~-[(1Z)-2-(propylsulfanyl)ethanimidoyl]-L-ornithine",""],["JM6","N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine","C10 H21 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CCCSC;CSCCCC(=N)NCCC[CH](N)C(O)=O;CSCCCC(=N)NCCCC(C(=O)O)N","InChI=1S/C10H21N3O2S/c1-16-7-3-5-9(12)13-6-2-4-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1","","2009-09-15","2011-06-04","N~5~-[(1Z)-4-(methylsulfanyl)butanimidoyl]-L-ornithine",""],["1HE","3-methylmercaptopropionate-CoA (MMPA-CoA)","C25 H42 N7 O17 P3 S2","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCSC;CSCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCSC)O","InChI=1S/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1","","2013-02-05","2013-05-31","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-(methylsulfanyl)propanethioate (non-preferred name)","2013-06-05"],["JM7","N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine","C9 H19 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CSCC;CCSCC(=N)NCCC[CH](N)C(O)=O;CCSCC(=N)NCCCC(C(=O)O)N","InChI=1S/C9H19N3O2S/c1-2-15-6-8(11)12-5-3-4-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1","","2009-09-15","2011-11-17","N~5~-[(1E)-2-(ethylsulfanyl)ethanimidoyl]-L-ornithine",""],["1HF","(3E)-3-{(2Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid","C16 H10 N4 O6 S2","O=S(=O)(O)c4ccc3c(C(=NN=C1/S/C(C(=O)N1)=Cc2occc2)/C(=O)N3)c4;O[S](=O)(=O)c1ccc2NC(=O)C(=NN=C3NC(=O)C(S3)=Cc4occc4)c2c1;c1cc(oc1)C=C2C(=O)NC(=NN=C3c4cc(ccc4NC3=O)S(=O)(=O)O)S2","InChI=1S/C16H10N4O6S2/c21-14-12(6-8-2-1-5-26-8)27-16(18-14)20-19-13-10-7-9(28(23,24)25)3-4-11(10)17-15(13)22/h1-7H,(H,17,19,22)(H,18,20,21)(H,23,24,25)/b12-6-","","2013-02-06","2020-02-14","(3E)-3-{(2Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid","2013-02-22"],["JM8","N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine","C10 H21 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CCSCC;CCSCCC(=N)NCCC[CH](N)C(O)=O;CCSCCC(=N)NCCCC(C(=O)O)N","InChI=1S/C10H21N3O2S/c1-2-16-7-5-9(12)13-6-3-4-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1","","2009-09-15","2011-06-04","N~5~-[(1E)-3-(ethylsulfanyl)propanimidoyl]-L-ornithine",""],["1HG","N-{3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C19 H14 F5 N5 O2","FC1C(N=C(OC1C(F)(F)F)N)(c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F)C;C[C]1(N=C(N)O[CH]([CH]1F)C(F)(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C(C(OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15-,18+/m0/s1","","2013-02-07","2013-04-26","N-{3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JM9","1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate","C48 H92 O6","CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C;CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C","InChI=1S/C48H92O6/c1-6-7-8-9-10-11-12-13-18-25-30-35-40-48(51)54-45(41-52-46(49)38-33-28-23-19-14-16-21-26-31-36-43(2)3)42-53-47(50)39-34-29-24-20-15-17-22-27-32-37-44(4)5/h43-45H,6-42H2,1-5H3","","2023-08-08","2024-03-01","1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate","2024-03-06"],["1HH","N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C19 H14 F5 N5 O2","FC1C(N=C(OC1C(F)(F)F)N)(c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F)C;C[C]1(N=C(N)O[CH]([CH]1F)C(F)(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(C(C(OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15+,18+/m0/s1","","2013-02-07","2013-04-26","N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["1HI","2-[(3S)-piperidin-3-yl]-1,3-benzoxazole","C12 H14 N2 O","C1CNC[CH](C1)c2oc3ccccc3n2;c1ccc2c(c1)nc(o2)C3CCCNC3","InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1","","2022-10-13","2023-10-13","2-[(3~{S})-piperidin-3-yl]-1,3-benzoxazole","2023-10-18"],["JMA","4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol","C11 H12 Cl2 N2 O","c1c(c(Cl)cc2n(CCCCO)cnc12)Cl;OCCCCn1cnc2cc(Cl)c(Cl)cc12;c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO","InChI=1S/C11H12Cl2N2O/c12-8-5-10-11(6-9(8)13)15(7-14-10)3-1-2-4-16/h5-7,16H,1-4H2","","2018-09-11","2018-10-05","4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol","2018-10-10"],["1HJ","N-{3-[(4S,6R)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C19 H15 F4 N5 O2","FC(F)(F)C3OC(=NC(c2cc(NC(=O)c1ncc(C#N)cc1)ccc2F)(C)C3)N;C[C]1(C[CH](OC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(CC(OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m1/s1","","2013-02-07","2013-04-26","N-{3-[(4S,6R)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JMB","(3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium","C16 H19 Cl N","CCC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2;CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2","InChI=1S/C16H18ClN/c1-2-10-18-12-13-8-9-15(16(17)11-13)14-6-4-3-5-7-14/h3-9,11,18H,2,10,12H2,1H3/p+1","","2016-12-08","2017-05-19","(3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium","2017-05-24"],["JMC","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C11 H20 N3 O8 P","CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C[CH](N)N(C)C2=O;CN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC)N","InChI=1S/C11H20N3O8P/c1-13-7(12)3-4-14(11(13)16)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6-10,15H,5,12H2,1-2H3,(H2,17,18,19)/t6-,7-,8-,9-,10-/m1/s1","","2020-06-29","2020-10-02","[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2020-10-07"],["1HK","4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol","C19 H18 N2 O2","Oc1ccc(cc1OC)CCc2c4c(nn2)c3ccccc3C4;COc1cc(CCc2[nH]nc3c2Cc4ccccc34)ccc1O;COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3","InChI=1S/C19H18N2O2/c1-23-18-10-12(7-9-17(18)22)6-8-16-15-11-13-4-2-3-5-14(13)19(15)21-20-16/h2-5,7,9-10,22H,6,8,11H2,1H3,(H,20,21)","","2012-07-05","2012-08-17","4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol",""],["1HL","N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C19 H15 F4 N5 O2","FC(F)(F)C3OC(=NC(c2cc(NC(=O)c1ncc(C#N)cc1)ccc2F)(C)C3)N;C[C]1(C[CH](OC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;CC1(CC(OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N","InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1","","2013-02-07","2013-04-26","N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JMD","4-(2-hydroxyethyl)benzonitrile","C9 H9 N O","C(c1ccc(CCO)cc1)#N;OCCc1ccc(cc1)C#N;c1cc(ccc1CCO)C#N","InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2","","2018-09-11","2018-10-05","4-(2-hydroxyethyl)benzonitrile","2018-10-10"],["JME","4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide","C23 H19 N7 O2","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5","InChI=1S/C23H19N7O2/c1-28-21(17(12-25-28)23(32)29-8-5-9-29)22(31)27-18-10-20-26-19(15-6-3-2-4-7-15)14-30(20)13-16(18)11-24/h2-4,6-7,10,12-14H,5,8-9H2,1H3,(H,27,31)","","2022-02-01","2022-10-07","4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide","2022-10-12"],["1HM","N-{3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C19 H14 F5 N5 O2","FC(F)(F)C3OC(=NC(c2cc(NC(=O)c1ncc(C#N)cc1)ccc2F)(CF)C3)N;NC1=N[C](CF)(C[CH](O1)C(F)(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(CC(OC(=N3)N)C(F)(F)F)CF)F","InChI=1S/C19H14F5N5O2/c20-9-18(6-15(19(22,23)24)31-17(26)29-18)12-5-11(2-3-13(12)21)28-16(30)14-4-1-10(7-25)8-27-14/h1-5,8,15H,6,9H2,(H2,26,29)(H,28,30)/t15-,18+/m0/s1","","2013-02-07","2013-04-26","N-{3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JMF","(3S)-1-(iminomethyl)-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide","C21 H24 N6 O2","N=CN1CC[CH](C1)C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C;C#CCCCNC(=O)c1ccc(cc1)n2cc(nc2)NC(=O)C3CCN(C3)C=N","InChI=1S/C21H24N6O2/c1-2-3-4-10-23-20(28)16-5-7-18(8-6-16)27-13-19(24-15-27)25-21(29)17-9-11-26(12-17)14-22/h1,5-8,13-15,17,22H,3-4,9-12H2,(H,23,28)(H,25,29)/b22-14+/t17-/m0/s1","(3S)-1-cyano-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide, reacted form of","2022-05-05","2024-09-27","(3~{S})-1-(iminomethyl)-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide","2022-09-14"],["1HN","1-hydroxynaphthalene-2-carboxylic acid","C11 H8 O3","O=C(O)c2ccc1ccccc1c2O;OC(=O)c1ccc2ccccc2c1O;c1ccc2c(c1)ccc(c2O)C(=O)O","InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)","","2010-06-22","2011-07-08","1-hydroxynaphthalene-2-carboxylic acid",""],["1HO","N-{3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C18 H13 F4 N5 O2","FC1(F)C(N=C(OC1)N)(c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F)CF;NC1=N[C](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CO1;c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(C(COC(=N3)N)(F)F)CF)F","InChI=1S/C18H13F4N5O2/c19-8-17(18(21,22)9-29-16(24)27-17)12-5-11(2-3-13(12)20)26-15(28)14-4-1-10(6-23)7-25-14/h1-5,7H,8-9H2,(H2,24,27)(H,26,28)/t17-/m1/s1","","2013-02-07","2013-04-26","N-{3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JMG","5-phenylthiophene-2-carboxylic acid","C11 H8 O2 S","c2c(c1ccc(C(O)=O)s1)cccc2;OC(=O)c1sc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(s2)C(=O)O","InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)","","2018-09-11","2018-10-05","5-phenylthiophene-2-carboxylic acid","2018-10-10"],["JMH","3-Methylcytidine- 5'-monophosphate","C10 H16 N3 O8 P","CN1C(=N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O;CN1C(=N)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C10H16N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,11,14-15H,4H2,1H3,(H2,17,18,19)/b11-6-/t5-,7-,8-,9-/m1/s1","","2019-03-12","2019-04-19","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylidene-3-methyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2019-04-24"],["1HP","4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol","C13 H12 N4 O","n1cc(cc2c1nc(n2C)N)c3ccc(O)cc3;Cn1c(N)nc2ncc(cc12)c3ccc(O)cc3;Cn1c2cc(cnc2nc1N)c3ccc(cc3)O","InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)","","2007-08-15","2011-06-04","4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol",""],["JMI","~{N}-[2-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethyl]ethanamide","C16 H23 N O7","CC(=O)NCCc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1;CC(=O)NCCc1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","InChI=1S/C16H23NO7/c1-9(19)17-7-6-10-2-4-11(5-3-10)23-16-15(22)14(21)13(20)12(8-18)24-16/h2-5,12-16,18,20-22H,6-8H2,1H3,(H,17,19)/t12-,13-,14+,15+,16+/m1/s1","","2022-08-23","2022-09-02","~{N}-[2-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethyl]ethanamide","2022-09-07"],["1HQ","N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","C18 H14 F3 N5 O2","FC(F)C1(N=C(OCC1)N)c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F;NC1=N[C](CCO1)(C(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F;c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(CCOC(=N3)N)C(F)F)F","InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1","","2013-02-07","2013-04-26","N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide","2013-05-01"],["JMJ","N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide","C8 H7 N3 O2 S2","c2coc(C(Nc1nnc(SC)s1)=O)c2;CSc1sc(NC(=O)c2occc2)nn1;CSc1nnc(s1)NC(=O)c2ccco2","InChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12)","","2018-09-11","2018-10-05","N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide","2018-10-10"],["1HR","(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid","C11 H8 Cl2 O3","O=C(O)C2CC2C(=O)c1ccc(Cl)c(Cl)c1;OC(=O)[CH]1C[CH]1C(=O)c2ccc(Cl)c(Cl)c2;c1cc(c(cc1C(=O)C2CC2C(=O)O)Cl)Cl","InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1","","2013-02-07","2013-04-05","(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid","2013-04-10"],["JMK","2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole","C20 H20 N4 S","C1CN(CCN1Cc2c[nH]c3ccccc23)c4sc5ccccc5n4;c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4","InChI=1S/C20H20N4S/c1-2-6-17-16(5-1)15(13-21-17)14-23-9-11-24(12-10-23)20-22-18-7-3-4-8-19(18)25-20/h1-8,13,21H,9-12,14H2","","2019-03-12","2020-03-27","2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole","2020-04-01"],["1HS","2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid","C5 H12 O4 S2","O=S(=O)(O)CCSCC(O)C;C[CH](O)CSCC[S](O)(=O)=O;CC(CSCCS(=O)(=O)O)O","InChI=1S/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/t5-/m0/s1","","2013-03-18","2013-03-22","2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid","2013-03-27"],["JML","2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9(6H,8H)-dione","C19 H17 N3 O2","O=C1NC(=O)C(C)(C)c2ccc3nc(Cc4ccccc4)[NH]c3c12;CC1(C)C(=O)NC(=O)c2c3[nH]c(Cc4ccccc4)nc3ccc12;CC1(c2ccc3c(c2C(=O)NC1=O)[nH]c(n3)Cc4ccccc4)C","InChI=1S/C19H17N3O2/c1-19(2)12-8-9-13-16(15(12)17(23)22-18(19)24)21-14(20-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23,24)","","2022-02-01","2022-10-07","2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9(6H,8H)-dione","2022-10-12"],["1HT","(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate","C38 H56 O13","O=C3OC2C1=C(C(OC(=O)/C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(OC(=O)CCC)C3(O)C)C)C;CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(OC(=O)CCC)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCC)C;CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)OC(=O)CCC","InChI=1S/C38H56O13/c1-10-14-15-16-17-20-27(41)47-32-30-29(23(6)31(32)48-34(43)22(5)13-4)33-38(51-28(42)19-12-3,37(9,45)35(44)49-33)25(46-26(40)18-11-2)21-36(30,8)50-24(7)39/h13,25,30-33,45H,10-12,14-21H2,1-9H3/t25-,30+,31-,32-,33-,36-,37+,38+/m0/s1","","2013-02-07","2013-06-14","(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate","2013-06-19"],["JMM","[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone","C13 H16 N2 O3","C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3;O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3;c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3","InChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2","","2018-09-11","2018-10-05","[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone","2018-10-10"],["1HU","2-(1H-indol-3-yl)-N-methylethanamine","C11 H14 N2","c1cccc2c1c(cn2)CCNC;CNCCc1c[nH]c2ccccc12;CNCCc1c[nH]c2c1cccc2","InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3","","2013-02-07","2014-01-24","2-(1H-indol-3-yl)-N-methylethanamine","2014-01-29"],["1HV","4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide","C25 H25 N5 O2","O=C(NCCCN)c4ccc(c2nn(c1ccccc12)c3ccc(C(=O)NC)cc3)cc4;CNC(=O)c1ccc(cc1)n2nc(c3ccc(cc3)C(=O)NCCCN)c4ccccc24;CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN","InChI=1S/C25H25N5O2/c1-27-24(31)18-11-13-20(14-12-18)30-22-6-3-2-5-21(22)23(29-30)17-7-9-19(10-8-17)25(32)28-16-4-15-26/h2-3,5-14H,4,15-16,26H2,1H3,(H,27,31)(H,28,32)","","2013-02-08","2014-01-24","4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide","2014-01-29"],["JMN","(3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol","C16 H21 N O2","Cc1ccc(O[CH]2CCN(CC#C)C[CH]2O)cc1C;Cc1ccc(cc1C)OC2CCN(CC2O)CC#C","InChI=1S/C16H21NO2/c1-4-8-17-9-7-16(15(18)11-17)19-14-6-5-12(2)13(3)10-14/h1,5-6,10,15-16,18H,7-9,11H2,2-3H3/t15-,16-/m0/s1","","2019-03-12","2020-03-27","(3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol","2020-04-01"],["1HW","1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone","C21 H18 F4 N2 O4","FC(F)(F)Oc1ccc(cc1F)C4N(N=C3c2c(ccc(OC)c2)CCC34)C(=O)CO;COc1ccc2CC[CH]3[CH](N(N=C3c2c1)C(=O)CO)c4ccc(OC(F)(F)F)c(F)c4;COc1ccc2c(c1)C3=NN(C(C3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO","InChI=1S/C21H18F4N2O4/c1-30-13-5-2-11-3-6-14-19(15(11)9-13)26-27(18(29)10-28)20(14)12-4-7-17(16(22)8-12)31-21(23,24)25/h2,4-5,7-9,14,20,28H,3,6,10H2,1H3/t14-,20-/m1/s1","","2013-02-08","2013-03-08","1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone","2013-03-13"],["JMO","(2R)-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid","C9 H14 N2 O4","CN[CH](C)C(=O)O[CH](CCC#N)C(O)=O;CC(C(=O)OC(CCC#N)C(=O)O)NC","InChI=1S/C9H14N2O4/c1-6(11-2)9(14)15-7(8(12)13)4-3-5-10/h6-7,11H,3-4H2,1-2H3,(H,12,13)/t6-,7+/m0/s1","","2022-05-05","2024-09-27","(2~{R})-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid","2023-03-22"],["JMP","2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid","C17 H17 N O4","CC(C)Oc1cccc(NC(=O)c2ccccc2C(O)=O)c1;CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O","InChI=1S/C17H17NO4/c1-11(2)22-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)","N-(3-Isopropoxy-phenyl)-phthalamicacid","2010-02-17","2021-03-01","2-[(3-propan-2-yloxyphenyl)carbamoyl]benzoic acid",""],["1HX","N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide","C15 H13 Cl F N3 O","O=C(c1ccc(C#N)n1C)NC(c2c(F)cccc2Cl)C;C[CH](NC(=O)c1ccc(C#N)n1C)c2c(F)cccc2Cl;CC(c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N","InChI=1S/C15H13ClFN3O/c1-9(14-11(16)4-3-5-12(14)17)19-15(21)13-7-6-10(8-18)20(13)2/h3-7,9H,1-2H3,(H,19,21)/t9-/m0/s1","","2013-02-08","2013-03-08","N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide","2013-03-13"],["1HZ","5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine","C18 H22 N6 O7 S","O=S(=O)(NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCc4cccc(O)c4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)CCc4cccc(O)c4O)[CH](O)[CH]3O;c1cc(c(c(c1)O)O)CCS(=O)(=O)NCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H22N6O7S/c19-16-12-17(21-7-20-16)24(8-22-12)18-15(28)14(27)11(31-18)6-23-32(29,30)5-4-9-2-1-3-10(25)13(9)26/h1-3,7-8,11,14-15,18,23,25-28H,4-6H2,(H2,19,20,21)/t11-,14-,15-,18-/m1/s1","","2013-02-09","2024-09-27","5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine","2013-07-31"],["JMQ","7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one","C12 H16 N4 O4","O=C2NC=Nc1c(cnc12)CN3C(C(O)C(O)C3)CO;OC[CH]1[CH](O)[CH](O)CN1Cc2c[nH]c3C(=O)NC=Nc23;c1c(c2c([nH]1)C(=O)NC=N2)CN3CC(C(C3CO)O)O","InChI=1S/C12H16N4O4/c17-4-7-11(19)8(18)3-16(7)2-6-1-13-10-9(6)14-5-15-12(10)20/h1,5,7-8,11,13,17-19H,2-4H2,(H,14,15,20)/t7-,8+,11-/m1/s1","","2008-10-02","2011-11-17","7-{[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["JMR","1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide","C12 H15 Br Cl N3 O2 S","N=CN1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1;Clc1ccc(C[S](=O)(=O)N[CH]2CCN(C2)C=N)c(Br)c1;c1cc(c(cc1Cl)Br)CS(=O)(=O)NC2CCN(C2)C=N","InChI=1S/C12H15BrClN3O2S/c13-12-5-10(14)2-1-9(12)7-20(18,19)16-11-3-4-17(6-11)8-15/h1-2,5,8,11,15-16H,3-4,6-7H2/b15-8-/t11-/m0/s1","","2023-08-08","2024-09-27","1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(Z)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide","2024-04-24"],["1I0","3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one","C28 H32 Cl N7 O3","CC1CCC(CC1)Cn1c2c(nc(cc2nc1N1CCOC2CCCC21)C=1NC(=O)ON=1)c1cc(Cl)cnc1;C[CH]1CC[CH](CC1)Cn2c(nc3cc(nc(c4cncc(Cl)c4)c23)C5=NOC(=O)N5)N6CCO[CH]7CCC[CH]67;CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCOC7C6CCC7","InChI=1S/C28H32ClN7O3/c1-16-5-7-17(8-6-16)15-36-25-20(32-27(36)35-9-10-38-23-4-2-3-22(23)35)12-21(26-33-28(37)39-34-26)31-24(25)18-11-19(29)14-30-13-18/h11-14,16-17,22-23H,2-10,15H2,1H3,(H,33,34,37)/t16-,17-,22-,23-/m1/s1","","2021-06-22","2021-11-05","3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one","2021-11-10"],["JMS","2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid","C14 H11 Cl2 N O2","Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C;Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl;Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl","InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)","meclofenamic acid","2011-03-22","2021-03-01","2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid",""],["1I1","((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid","C10 H16 N7 O5 P","Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCNC(CO)C(=O)NP(=O)(O)O)N","InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1","","2021-06-10","2021-12-03","[[(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-oxidanyl-propanoyl]amino]phosphonic acid","2021-12-08"],["JMT","3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol","C20 H20 N4 O S","Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccccc5n4)c2c1;c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O","InChI=1S/C20H20N4OS/c25-15-5-6-17-16(11-15)14(12-21-17)13-23-7-9-24(10-8-23)20-22-18-3-1-2-4-19(18)26-20/h1-6,11-12,21,25H,7-10,13H2","","2019-03-12","2020-03-27","3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol","2020-04-01"],["1I2","N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide","C29 H31 Cl F2 N4 O","Cc1c(nn(c2ccc(F)cc2F)c1c3ccc(Cl)cc3)C(=O)NCCNC4C5CC6CC(C5)CC4C6;Cc1c(n(nc1C(=O)NCCNC2C3CC4CC(C3)CC2C4)c5ccc(cc5F)F)c6ccc(cc6)Cl","InChI=1S/C29H31ClF2N4O/c1-16-26(29(37)34-9-8-33-27-20-11-17-10-18(13-20)14-21(27)12-17)35-36(25-7-6-23(31)15-24(25)32)28(16)19-2-4-22(30)5-3-19/h2-7,15,17-18,20-21,27,33H,8-14H2,1H3,(H,34,37)/t17-,18+,20-,21+,27-","","2022-01-21","2022-07-29","~{N}-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide","2022-08-03"],["JMU","N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide","C24 H21 N7 O3","O=C(c1cn(C)nc1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1;Cn1cc(C(=O)N2CCOCC2)c(n1)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5;Cn1cc(c(n1)C(=O)Nc2cc3nc(cn3cc2C#N)c4ccccc4)C(=O)N5CCOCC5","InChI=1S/C24H21N7O3/c1-29-14-18(24(33)30-7-9-34-10-8-30)22(28-29)23(32)27-19-11-21-26-20(16-5-3-2-4-6-16)15-31(21)13-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,27,32)","","2022-02-01","2022-10-07","N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide","2022-10-12"],["1I3","3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one","C26 H31 Cl N6 O3","CC(COC)c1nc2cc(nc(c2n1C(C)C1CCC(C)CC1)c1cc(Cl)cnc1)C=1NC(=O)ON=1;COC[CH](C)c1nc2cc(nc(c3cncc(Cl)c3)c2n1[CH](C)[CH]4CC[CH](C)CC4)C5=NOC(=O)N5;CC1CCC(CC1)C(C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2C(C)COC","InChI=1S/C26H31ClN6O3/c1-14-5-7-17(8-6-14)16(3)33-23-20(30-25(33)15(2)13-35-4)10-21(24-31-26(34)36-32-24)29-22(23)18-9-19(27)12-28-11-18/h9-12,14-17H,5-8,13H2,1-4H3,(H,31,32,34)/t14-,15-,16-,17-/m1/s1","","2021-06-22","2021-11-05","3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one","2021-11-10"],["JMV","(3-chlorophenoxy)acetic acid","C8 H7 Cl O3","c1(cc(OCC(O)=O)ccc1)Cl;OC(=O)COc1cccc(Cl)c1;c1cc(cc(c1)Cl)OCC(=O)O","InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)","","2018-09-11","2018-10-05","(3-chlorophenoxy)acetic acid","2018-10-10"],["1I4","(R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine","C12 H19 N6 O5 P","C[CH](Cn1cnc2c(N)ncnc12)N(CC[P](O)(O)=O)CC(O)=O;CC(Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O","InChI=1S/C12H19N6O5P/c1-8(17(5-9(19)20)2-3-24(21,22)23)4-18-7-16-10-11(13)14-6-15-12(10)18/h6-8H,2-5H2,1H3,(H,19,20)(H2,13,14,15)(H2,21,22,23)/t8-/m1/s1","","2021-06-10","2021-12-03","2-[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]-(2-phosphonoethyl)amino]ethanoic acid","2021-12-08"],["JMW","3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol","C20 H19 Cl N4 O S","Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccc(Cl)cc5n4)c2c1;c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl","InChI=1S/C20H19ClN4OS/c21-14-1-4-19-18(9-14)23-20(27-19)25-7-5-24(6-8-25)12-13-11-22-17-3-2-15(26)10-16(13)17/h1-4,9-11,22,26H,5-8,12H2","","2019-03-12","2020-03-27","3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol","2020-04-01"],["1I6","methyl (Z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate","C25 H28 Cl N O5","COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2cccc(OC)c2)Cc3ccc(Cl)cc3;COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)OC)O","InChI=1S/C25H28ClNO5/c1-31-21-5-3-4-19(14-21)17-27-12-10-25(11-13-27,16-18-6-8-20(26)9-7-18)23(29)15-22(28)24(30)32-2/h3-9,14-15,28H,10-13,16-17H2,1-2H3/b22-15-","","2021-06-01","2022-02-11","methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate","2022-02-16"],["JMX","(2S)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid","C19 H19 Br N2 O2","CN[CH](Cc1cn(Cc2ccc(Br)cc2)c3ccccc13)C(O)=O;CNC(Cc1cn(c2c1cccc2)Cc3ccc(cc3)Br)C(=O)O","InChI=1S/C19H19BrN2O2/c1-21-17(19(23)24)10-14-12-22(18-5-3-2-4-16(14)18)11-13-6-8-15(20)9-7-13/h2-9,12,17,21H,10-11H2,1H3,(H,23,24)/t17-/m0/s1","SC45647","2022-05-05","2024-09-27","(2~{S})-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid","2023-03-22"],["1I7","Argyrin B","C41 H46 N10 O8 S","CC[CH]1NC(=O)CNC(=O)[CH](Cc2c[nH]c3cccc(OC)c23)NC(=O)[CH](Cc4c[nH]c5ccccc45)NC(=O)c6csc(n6)[CH](C)NC(=O)CN(C)C(=O)C(=C)NC1=O;CCC1C(=O)NC(=C)C(=O)N(CC(=O)NC(c2nc(cs2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)Cc3c[nH]c4c3c(ccc4)OC)Cc5c[nH]c6c5cccc6)C)C","InChI=1S/C41H46N10O8S/c1-6-26-37(55)46-22(3)41(58)51(4)19-34(53)45-21(2)40-50-31(20-60-40)39(57)49-30(14-23-16-42-27-11-8-7-10-25(23)27)38(56)48-29(36(54)44-18-33(52)47-26)15-24-17-43-28-12-9-13-32(59-5)35(24)28/h7-13,16-17,20-21,26,29-30,42-43H,3,6,14-15,18-19H2,1-2,4-5H3,(H,44,54)(H,45,53)(H,46,55)(H,47,52)(H,48,56)(H,49,57)/t21-,26-,29+,30+/m1/s1","(4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone","2021-06-10","2022-05-06","(4~{S},7~{S},13~{R},22~{R})-13-ethyl-4-(1~{H}-indol-3-ylmethyl)-7-[(4-methoxy-1~{H}-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone","2022-05-11"],["1I8","(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","C33 H41 Cl N6 O2","Clc1ccc(C[CH](NC(=O)[CH]2Cc3ccccc3CN2)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6)cc1;c1ccc2c(c1)CC(NC2)C(=O)NC(Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6","InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1","","2021-06-23","2021-10-29","(3~{R})-~{N}-[(2~{R})-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","2021-11-03"],["JMY","1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one","C13 H14 F N O3","c1cc(c2c(c1)C3N(C(C)=O)CC(C3O2)CO)F;CC(=O)N1C[CH](CO)[CH]2Oc3c(F)cccc3[CH]12;CC(=O)N1CC(C2C1c3cccc(c3O2)F)CO","InChI=1S/C13H14FNO3/c1-7(17)15-5-8(6-16)12-11(15)9-3-2-4-10(14)13(9)18-12/h2-4,8,11-12,16H,5-6H2,1H3/t8-,11-,12-/m0/s1","","2018-09-11","2018-10-05","1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one","2018-10-10"],["JMZ","6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine","C11 H10 N6","n2c(c1ccc(cc1n2)c3nc(ncc3)N)N;Nc1nccc(n1)c2ccc3c(N)n[nH]c3c2;c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N","InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)","","2010-07-13","2011-06-17","6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine",""],["1I9","3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one","C28 H33 Cl N6 O3","CC1CCC(CC1)C(C)n1c2c(nc(cc2nc1C(OCC)C1CC1)C=1NC(=O)ON=1)c1cc(Cl)cnc1;CCO[CH](C1CC1)c2nc3cc(nc(c4cncc(Cl)c4)c3n2[CH](C)[CH]5CC[CH](C)CC5)C6=NOC(=O)N6;CCOC(c1nc2cc(nc(c2n1C(C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6","InChI=1S/C28H33ClN6O3/c1-4-37-25(18-9-10-18)27-32-21-12-22(26-33-28(36)38-34-26)31-23(19-11-20(29)14-30-13-19)24(21)35(27)16(3)17-7-5-15(2)6-8-17/h11-18,25H,4-10H2,1-3H3,(H,33,34,36)/t15-,16-,17-,25-/m1/s1","","2021-06-22","2021-11-05","3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one","2021-11-10"],["JN0","3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","C20 H18 O6","CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O;CC(=CCc1cc(cc(c1O)O)C2=COc3cc(cc(c3C2=O)O)O)C","InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3","Glycyrrhisoflavone","2022-08-23","2023-07-07","3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","2023-07-12"],["1IA","(2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid","C10 H15 N6 O5 P","Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCNC(CP(=O)(O)O)C(=O)O)N","InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m0/s1","","2021-06-10","2021-12-03","(2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid","2021-12-08"],["1IB","N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide","C18 H24 F2 N2 O","CCNC(=O)[CH]1C[C](F)(C1)c2ccc(CN3CCCC3)c(F)c2;CCNC(=O)C1CC(C1)(c2ccc(c(c2)F)CN3CCCC3)F","InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-","","2021-06-24","2022-10-21","~{N}-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide","2022-10-26"],["JN1","(6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione","C10 H10 N2 O3 S","c3ccc2c(C1CN(CC(=O)N1)S2(=O)=O)c3;O=C1C[N]2C[CH](N1)c3ccccc3[S]2(=O)=O;c1ccc2c(c1)C3CN(S2(=O)=O)CC(=O)N3","InChI=1S/C10H10N2O3S/c13-10-6-12-5-8(11-10)7-3-1-2-4-9(7)16(12,14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1","","2018-09-11","2018-10-05","(6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione","2018-10-10"],["JN2","3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide","C19 H20 F N O6","OC[CH]1O[CH](NC(=O)c2cccc(c2)c3ccc(F)cc3)[CH](O)[CH](O)[CH]1O;c1cc(cc(c1)C(=O)NC2C(C(C(C(O2)CO)O)O)O)c3ccc(cc3)F","InChI=1S/C19H20FNO6/c20-13-6-4-10(5-7-13)11-2-1-3-12(8-11)18(26)21-19-17(25)16(24)15(23)14(9-22)27-19/h1-8,14-17,19,22-25H,9H2,(H,21,26)/t14-,15-,16+,17-,19-/m1/s1","","2019-03-13","2019-04-05","3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide","2019-04-10"],["1IC","O-octanoyl-D-serine","C11 H21 N O4","OC(=O)C(N)COC(=O)CCCCCCC;CCCCCCCC(=O)OC[CH](N)C(O)=O;CCCCCCCC(=O)OCC(C(=O)O)N","InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1","","2021-06-22","2024-09-27","O-octanoyl-D-serine","2021-12-15"],["JN3","CHENODEOXYCHOLIC ACID","C24 H40 O4","O=C(O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1","(3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID","2007-01-02","2021-03-13","(3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid",""],["1IE","~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine","C19 H16 N2 S","CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1;CSc1cccc(c1)Nc2c3ccccc3[nH]c-4cccc24","InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3","","2022-10-13","2023-10-13","~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine","2023-10-18"],["JN4","ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate","C21 H21 N3 O4 S","O=C(OC=C)c1c3c(sc1NC(=O)Cc2ccccc2)CN(C(=O)NC=C)CC3;C=CNC(=O)N1CCc2c(C1)sc(NC(=O)Cc3ccccc3)c2C(=O)OC=C;C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1","InChI=1S/C21H21N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,22,27)(H,23,25)","","2011-07-08","2011-10-21","ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate",""],["1IF","3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide","C21 H14 F3 N3 O","Nc1ccc(C#Cc2cccc(c2)C(=O)Nc2cc(ccc2)C(F)(F)F)cn1;Nc1ccc(cn1)C#Cc2cccc(c2)C(=O)Nc3cccc(c3)C(F)(F)F;c1cc(cc(c1)C(=O)Nc2cccc(c2)C(F)(F)F)C#Cc3ccc(nc3)N","InChI=1S/C21H14F3N3O/c22-21(23,24)17-5-2-6-18(12-17)27-20(28)16-4-1-3-14(11-16)7-8-15-9-10-19(25)26-13-15/h1-6,9-13H,(H2,25,26)(H,27,28)","","2021-06-22","2022-06-24","3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide","2022-06-29"],["JN5","(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile","C20 H16 N6 S","N#CC(c1nc2ccccc2s1)c3nc(ncc3)NCCc4cccnc4;N#C[CH](c1sc2ccccc2n1)c3ccnc(NCCc4cccnc4)n3;c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4","InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)/t15-/m1/s1","","2008-05-01","2011-06-04","(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile",""],["1IG","N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE","C20 H26 N6 O2 S","O=C(NCCN1c3c(SC(C1=O)(C)C)ccc(c2c(nc(nc2N)N)CC)c3)C;CCc1nc(N)nc(N)c1c2ccc3SC(C)(C)C(=O)N(CCNC(C)=O)c3c2;CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C","InChI=1S/C20H26N6O2S/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)","","2006-02-21","2011-06-04","N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethyl}acetamide",""],["JN6","N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C20 H19 N7 O3","O=C(NCCO)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;Cn1ncc(C(=O)NCCO)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;Cn1c(c(cn1)C(=O)NCCO)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4","InChI=1S/C20H19N7O3/c1-26-17(14(11-22-26)18(29)21-8-10-28)19(30)24-16-7-9-27-12-15(23-20(27)25-16)13-5-3-2-4-6-13/h2-7,9,11-12,28H,8,10H2,1H3,(H,21,29)(H,23,24,25,30)","","2022-02-01","2022-10-07","N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["1IH","(S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid","C10 H15 N6 O5 P","Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCNC(CP(=O)(O)O)C(=O)O)N","InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m1/s1","","2021-06-10","2021-12-03","(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid","2021-12-08"],["JN7","3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate","C22 H24 N2 O5 S2","O=C(OC=C)N2Cc1sc(c(c1CC2)C(=O)OC3CCCC3)NC(=O)Cc4sccc4;C=COC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OC4CCCC4;C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1","InChI=1S/C22H24N2O5S2/c1-2-28-22(27)24-10-9-16-17(13-24)31-20(23-18(25)12-15-8-5-11-30-15)19(16)21(26)29-14-6-3-4-7-14/h2,5,8,11,14H,1,3-4,6-7,9-10,12-13H2,(H,23,25)","","2011-07-08","2011-10-21","3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate",""],["1II","3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one","C28 H29 F2 N3 O","Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5;c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)","","2022-01-23","2022-04-29","3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one","2022-05-04"],["1IJ","N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide","C20 H17 F3 N4 O3","Nc1ncc(Oc2cc(CCNC(=O)c3cccc(OC(F)(F)F)c3)ccc2)cn1;Nc1ncc(Oc2cccc(CCNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1;c1cc(cc(c1)Oc2cnc(nc2)N)CCNC(=O)c3cccc(c3)OC(F)(F)F","InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-2-4-14(10-16)18(28)25-8-7-13-3-1-5-15(9-13)29-17-11-26-19(24)27-12-17/h1-6,9-12H,7-8H2,(H,25,28)(H2,24,26,27)","","2021-06-22","2022-06-24","N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide","2022-06-29"],["JN8","cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate","C22 H27 N3 O4 S2","O=C(OC1CCCC1)c2c4c(sc2NC(=O)Cc3sccc3)CN(C(=O)NCC)CC4;CCNC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OC4CCCC4;CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1","InChI=1S/C22H27N3O4S2/c1-2-23-22(28)25-10-9-16-17(13-25)31-20(24-18(26)12-15-8-5-11-30-15)19(16)21(27)29-14-6-3-4-7-14/h5,8,11,14H,2-4,6-7,9-10,12-13H2,1H3,(H,23,28)(H,24,26)","","2011-07-08","2011-10-21","cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate",""],["JN9","1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C42 H60 N10 O5","NCCCC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)Cc4cccc(CNC(=O)[CH](CC5CCCCC5)NC(=O)[CH](CCCCNC1=O)NC(N)=N)c4;c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NCc4cccc(c4)CC(=O)N3)CC5CCCCC5)NC(=N)N)CCCCN","InChI=1S/C42H60N10O5/c43-19-8-6-17-33-38(54)46-20-9-7-18-34(52-42(44)45)40(56)51-35(22-27-11-2-1-3-12-27)39(55)48-25-29-14-10-13-28(21-29)23-37(53)49-36(41(57)50-33)24-30-26-47-32-16-5-4-15-31(30)32/h4-5,10,13-16,21,26-27,33-36,47H,1-3,6-9,11-12,17-20,22-25,43H2,(H,46,54)(H,48,55)(H,49,53)(H,50,57)(H,51,56)(H4,44,45,52)/t33-,34+,35+,36-/m0/s1","(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA\nN-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl\n2,6-diamino-2,6-dideoxy-glucoside","2022-05-06","2023-03-17","1-[(5~{R},8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1~{H}-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2023-03-22"],["1IK","(S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid","C11 H17 N6 O5 P","Nc1ncnc2n(CCCN[CH](C[P](O)(O)=O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCCNC(CP(=O)(O)O)C(=O)O)N","InChI=1S/C11H17N6O5P/c12-9-8-10(15-5-14-9)17(6-16-8)3-1-2-13-7(11(18)19)4-23(20,21)22/h5-7,13H,1-4H2,(H,18,19)(H2,12,14,15)(H2,20,21,22)/t7-/m1/s1","","2021-06-11","2021-12-03","(2~{S})-2-[3-(6-aminopurin-9-yl)propylamino]-3-phosphono-propanoic acid","2021-12-08"],["JNA","N-[(thiophen-2-yl)methyl]benzenesulfonamide","C11 H11 N O2 S2","c2cc(S(=O)(=O)NCc1sccc1)ccc2;O=[S](=O)(NCc1sccc1)c2ccccc2;c1ccc(cc1)S(=O)(=O)NCc2cccs2","InChI=1S/C11H11NO2S2/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-8,12H,9H2","","2018-09-11","2018-10-05","N-[(thiophen-2-yl)methyl]benzenesulfonamide","2018-10-10"],["1IM","2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide","C22 H15 F3 N2 O","FC(F)(F)c1cc(ccc1)NC(=O)Cc1cccc(C#Cc2cccnc2)c1;FC(F)(F)c1cccc(NC(=O)Cc2cccc(c2)C#Cc3cccnc3)c1;c1cc(cc(c1)C#Cc2cccnc2)CC(=O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C22H15F3N2O/c23-22(24,25)19-7-2-8-20(14-19)27-21(28)13-18-5-1-4-16(12-18)9-10-17-6-3-11-26-15-17/h1-8,11-12,14-15H,13H2,(H,27,28)","","2021-06-22","2022-06-24","2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide","2022-06-29"],["JNB","~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide","C19 H21 N O6","OC[CH]1O[CH](NC(=O)c2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2ccc(cc2)C(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C19H21NO6/c21-10-14-15(22)16(23)17(24)19(26-14)20-18(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,21-24H,10H2,(H,20,25)/t14-,15-,16+,17-,19-/m1/s1","","2019-03-13","2019-04-12","~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide","2019-04-17"],["1IN","1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB\nOXYLIC ACID TERT-BUTYLAMIDE","C35 H51 N5 O5","O=C(NC1C(C)CCC1O)C(Cc2ccccc2)CC(O)CN4C(C(=O)NC(C)(C)C)CN(C(=O)CCc3cccnc3)CC4;C[CH]1CC[CH](O)[CH]1NC(=O)[CH](C[CH](O)CN2CCN(C[CH]2C(=O)NC(C)(C)C)C(=O)CCc3cccnc3)Cc4ccccc4;CC1CCC(C1NC(=O)C(Cc2ccccc2)CC(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O","InChI=1S/C35H51N5O5/c1-24-12-14-30(42)32(24)37-33(44)27(19-25-9-6-5-7-10-25)20-28(41)22-39-17-18-40(23-29(39)34(45)38-35(2,3)4)31(43)15-13-26-11-8-16-36-21-26/h5-11,16,21,24,27-30,32,41-42H,12-15,17-20,22-23H2,1-4H3,(H,37,44)(H,38,45)/t24-,27+,28-,29-,30+,32-/m0/s1","L-738,317","1999-07-08","2020-06-17","(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-N-tert-butyl-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide (non-preferred name)",""],["JNC","5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C13 H11 Cl2 N5","CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12;CNc1c2c(c([nH]n2)Cc3cccc(c3)Cl)nc(n1)Cl","InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18)","","2023-08-08","2023-12-01","5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2023-12-06"],["1IO","(S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid","C10 H14 N5 O6 P","Nc1ncnc2n(CCO[CH](C[P](O)(O)=O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCOC(CP(=O)(O)O)C(=O)O)N","InChI=1S/C10H14N5O6P/c11-8-7-9(13-4-12-8)15(5-14-7)1-2-21-6(10(16)17)3-22(18,19)20/h4-6H,1-3H2,(H,16,17)(H2,11,12,13)(H2,18,19,20)/t6-/m1/s1","","2021-06-11","2021-12-03","(2~{S})-2-[2-(6-aminopurin-9-yl)ethoxy]-3-phosphono-propanoic acid","2021-12-08"],["JND","6-ethylthieno[2,3-d]pyrimidin-4(3H)-one","C8 H8 N2 O S","CCc2cc1C(NC=Nc1s2)=O;CCc1sc2N=CNC(=O)c2c1;CCc1cc2c(s1)N=CNC2=O","InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)","","2018-09-11","2018-10-05","6-ethylthieno[2,3-d]pyrimidin-4(3H)-one","2018-10-10"],["1IP","N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE","C6 H11 N2 O7 P","O=C(NC(C(=O)O)CC(=O)N)CP(=O)(O)O;NC(=O)C[CH](NC(=O)C[P](O)(O)=O)C(O)=O;C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N","InChI=1S/C6H11N2O7P/c7-4(9)1-3(6(11)12)8-5(10)2-16(13,14)15/h3H,1-2H2,(H2,7,9)(H,8,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1","","2006-10-16","2024-09-27","N~2~-(phosphonoacetyl)-L-asparagine",""],["JNE","6-methyl-~{N}-(phenylmethyl)pyridin-2-amine","C13 H14 N2","Cc1cccc(NCc2ccccc2)n1;Cc1cccc(n1)NCc2ccccc2","InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)","","2019-03-13","2020-03-27","6-methyl-~{N}-(phenylmethyl)pyridin-2-amine","2020-04-01"],["1IQ","2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID","C17 H17 N3 O3","O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C;CC(C)[C]1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O;CC(C)C1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C","InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1","IMAZAQUIN","2005-04-04","2021-03-01","2-[(4R)-4-methyl-4-(1-methylethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid",""],["JNF","N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine","C18 H21 N5","n1ccc(nc1N(C2CCCCC2)C)c3cnc4ccccn34;CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34;CN(c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4","InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3","","2008-03-06","2011-06-04","N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine",""],["1IR","N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine","C18 H17 N5 O S","n1c5ccccc5sc1NC4CC(n2c3ncccc3nc2OC)C4;COc1nc2cccnc2n1[CH]3C[CH](C3)Nc4sc5ccccc5n4;COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4","InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+","N-((1r,3r)-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl)benzo[d]thiazol-2-amine","2014-02-26","2021-03-13","N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine","2014-10-01"],["1IS","N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine","C18 H17 N5 O S","n1c5ccccc5sc1NC4CC(n2c3ncccc3nc2OC)C4;COc1nc2cccnc2n1[CH]3C[CH](C3)Nc4sc5ccccc5n4;COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4","InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12-","N-((1s,3s)-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl)benzo[d]thiazol-2-amine","2014-02-26","2020-06-17","N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine","2014-10-01"],["JNG","[(4-chlorophenyl)sulfanyl]acetic acid","C8 H7 Cl O2 S","O=C(O)CSc1ccc(Cl)cc1;OC(=O)CSc1ccc(Cl)cc1;c1cc(ccc1SCC(=O)O)Cl","InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)","","2018-09-11","2018-10-05","[(4-chlorophenyl)sulfanyl]acetic acid","2018-10-10"],["1IT","DIBENZOFURAN","C12 H8 O","o2c1ccccc1c3c2cccc3;o1c2ccccc2c3ccccc13;c1ccc2c(c1)c3ccccc3o2","InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H","","2011-04-06","2011-06-04","dibenzo[b,d]furan",""],["JNH","1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE","C20 H25 N3 O","O=C(N1CCCC1CN)C(N)Cc3ccc(c2ccccc2)cc3;NC[CH]1CCCN1C(=O)[CH](N)Cc2ccc(cc2)c3ccccc3;c1ccc(cc1)c2ccc(cc2)CC(C(=O)N3CCCC3CN)N","InChI=1S/C20H25N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-14,21-22H2/t18-,19-/m0/s1","","2005-09-07","2024-09-27","(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-biphenyl-4-yl-1-oxopropan-2-amine",""],["JNI","~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine","C31 H30 N8","Nc1nccc(n1)N(Cc2ccccc2)c3ccccc3c4cccc(c4)c5cnc(nc5)N6CCNCC6;c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N","InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37)","","2017-01-12","2017-03-24","~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine","2017-03-29"],["1IU","[3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid","C19 H29 N8 O5 P","O=C(N)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)C(N)Cc1nnnn1)Cc2ccccc2)C;C[CH](C[P](O)(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)Cc2[nH]nnn2)C(=O)N[CH](C)C(N)=O;CC(CP(=O)(C(Cc1ccccc1)NC(=O)C(Cc2[nH]nnn2)N)O)C(=O)NC(C)C(=O)N","InChI=1S/C19H29N8O5P/c1-11(18(29)22-12(2)17(21)28)10-33(31,32)16(8-13-6-4-3-5-7-13)23-19(30)14(20)9-15-24-26-27-25-15/h3-7,11-12,14,16H,8-10,20H2,1-2H3,(H2,21,28)(H,22,29)(H,23,30)(H,31,32)(H,24,25,26,27)/t11-,12+,14-,16-/m1/s1","","2013-07-12","2014-09-05","(R)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl][(1R)-1-{[(2R)-2-amino-3-(1H-tetrazol-5-yl)propanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name)","2013-09-18"],["JNJ","1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide","C27 H22 F2 N8 O2","Fc2cc(n1ccnc1CN(C)C)ccc2c3ccc4c(c3F)n(nc4C(=O)N)c6cc5c(onc5N)cc6;CN(C)Cc1nccn1c2ccc(c(F)c2)c3ccc4c(nn(c5ccc6onc(N)c6c5)c4c3F)C(N)=O;CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N","InChI=1S/C27H22F2N8O2/c1-35(2)13-22-32-9-10-36(22)14-3-5-16(20(28)12-14)17-6-7-18-24(27(31)38)33-37(25(18)23(17)29)15-4-8-21-19(11-15)26(30)34-39-21/h3-12H,13H2,1-2H3,(H2,30,34)(H2,31,38)","1-(3-Aminobenzo[d]isoxazol-5-yl)-6-[4-(2-dimethylaminomethylimidazol-1-yl)-2-fluorophenyl]-7-fluoro-1H-indazole-3-carboxylic Acid Amide","2007-09-17","2021-03-01","1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide",""],["1IV","[(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone","C32 H30 Cl N7 O","Cc1ccc2n(Cc3ccc(Cl)cc3)c(cc2c1)[CH]4C[CH](CN4C(=O)c5cnc6[nH]ccc6c5)n7ccnc7CN;Cc1ccc2c(c1)cc(n2Cc3ccc(cc3)Cl)C4CC(CN4C(=O)c5cc6cc[nH]c6nc5)n7ccnc7CN","InChI=1S/C32H30ClN7O/c1-20-2-7-27-23(12-20)14-28(39(27)18-21-3-5-25(33)6-4-21)29-15-26(38-11-10-35-30(38)16-34)19-40(29)32(41)24-13-22-8-9-36-31(22)37-17-24/h2-14,17,26,29H,15-16,18-19,34H2,1H3,(H,36,37)/t26-,29+/m0/s1","","2022-01-24","2022-08-26","[(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone","2022-08-31"],["JNK","N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE","C24 H25 F N4 O2","O=C(Nc3nccc(c2ccnc(Nc1ccc(F)cc1)c2)c3)C4CCC(OC)CC4;CO[CH]1CC[CH](CC1)C(=O)Nc2cc(ccn2)c3ccnc(Nc4ccc(F)cc4)c3;COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F","InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)/t16-,21-","4-METHOXY-CYCLOHEXANECARBOXYLIC ACID [2'-(4-FLUORO-PHENYLAMINO)-[4,4'] BIPYRIDINYL-2-YL]-AMIDE","2005-11-16","2020-06-17","trans-N-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide",""],["1IW","2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide","C23 H19 Cl2 N5 O3","OCCNc1ccc(cc1Cl)C(=O)Nc1cc(c(Cl)cc1)C(=O)Nc1cc2cc[NH]c2nc1;OCCNc1ccc(cc1Cl)C(=O)Nc2ccc(Cl)c(c2)C(=O)Nc3cnc4[nH]ccc4c3;c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)Nc3cc4cc[nH]c4nc3)Cl)Cl)NCCO","InChI=1S/C23H19Cl2N5O3/c24-18-3-2-15(29-22(32)14-1-4-20(19(25)10-14)26-7-8-31)11-17(18)23(33)30-16-9-13-5-6-27-21(13)28-12-16/h1-6,9-12,26,31H,7-8H2,(H,27,28)(H,29,32)(H,30,33)","","2021-06-22","2022-06-24","2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide","2022-06-29"],["JNL","N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea","C18 H18 N4 O2","COc1cccc(c1)NC(=O)Nc1cc2nc(C)c(C)nc2cc1;COc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1;Cc1c(nc2cc(ccc2n1)NC(=O)Nc3cccc(c3)OC)C","InChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23)","","2022-02-01","2022-10-07","N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea","2022-10-12"],["1IX","(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol","C24 H21 Cl F N5 O3","COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5;COc1ccc(nn1)C(c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O","InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1","Nedisertib","2021-06-11","2022-09-28","(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol","2022-01-12"],["JNM","1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one","C11 H14 O3","C(=O)(C)c1c(O)c(CCC)ccc1O;CCCc1ccc(O)c(C(C)=O)c1O;CCCc1ccc(c(c1O)C(=O)C)O","InChI=1S/C11H14O3/c1-3-4-8-5-6-9(13)10(7(2)12)11(8)14/h5-6,13-14H,3-4H2,1-2H3","","2018-09-11","2018-10-05","1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one","2018-10-10"],["1IY","N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine","C20 H23 N5 O2 S","CN(C)CCCn1ccc2cc(ccc12)c3nc(nc4[nH]ccc34)[S](C)(=O)=O;CN(C)CCCn1ccc2c1ccc(c2)c3c4cc[nH]c4nc(n3)S(=O)(=O)C","InChI=1S/C20H23N5O2S/c1-24(2)10-4-11-25-12-8-14-13-15(5-6-17(14)25)18-16-7-9-21-19(16)23-20(22-18)28(3,26)27/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22,23)","","2021-06-26","2022-06-24","~{N},~{N}-dimethyl-3-[5-(2-methylsulfonyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine","2022-06-29"],["JNN","5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide","C13 H11 Cl2 N3 O4","ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1;c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl","InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)","","2019-03-13","2019-10-04","5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide","2019-10-09"],["1IZ","N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide","C22 H25 F3 N2 O3","FC(F)(F)Oc1cccc(c1)C(=O)NCC1CCCCC1CCOc1cccnc1;FC(F)(F)Oc1cccc(c1)C(=O)NC[CH]2CCCC[CH]2CCOc3cccnc3;c1cc(cc(c1)OC(F)(F)F)C(=O)NCC2CCCCC2CCOc3cccnc3","InChI=1S/C22H25F3N2O3/c23-22(24,25)30-19-8-3-7-17(13-19)21(28)27-14-18-6-2-1-5-16(18)10-12-29-20-9-4-11-26-15-20/h3-4,7-9,11,13,15-16,18H,1-2,5-6,10,12,14H2,(H,27,28)/t16-,18-/m0/s1","","2021-06-22","2022-06-24","N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide","2022-06-29"],["JNO","2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide","C19 H23 N7 O","O=C(NC)CN4CCC(Nc3nc(c2cnc1ccccn12)ccn3)CC4;CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4ccccn34;CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4","InChI=1S/C19H23N7O/c1-20-18(27)13-25-10-6-14(7-11-25)23-19-21-8-5-15(24-19)16-12-22-17-4-2-3-9-26(16)17/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,20,27)(H,21,23,24)","","2008-03-10","2011-06-04","2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide",""],["1J0","Collinone","C27 H18 O12","COC1=CC(=O)C2=C(C1=O)C(=O)C3=C(O)[C]4(O)c5c(O)c6C(=O)OC(=Cc6cc5CC[C]4(O)C(=C3C2=O)O)C;CC1=Cc2cc3c(c(c2C(=O)O1)O)C4(C(=C5C(=C(C4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O","InChI=1S/C27H18O12/c1-8-5-10-6-9-3-4-26(36)23(33)16-17(24(34)27(26,37)18(9)22(32)13(10)25(35)39-8)21(31)15-14(20(16)30)11(28)7-12(38-2)19(15)29/h5-7,32-34,36-37H,3-4H2,1-2H3/t26-,27+/m0/s1","135469160","2021-06-12","2021-10-29","","2021-11-03"],["JNP","7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one","C11 H12 O3","c2(O)cc1OC(C)(C)CC(c1cc2)=O;CC1(C)CC(=O)c2ccc(O)cc2O1;CC1(CC(=O)c2ccc(cc2O1)O)C","InChI=1S/C11H12O3/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,12H,6H2,1-2H3","","2018-09-11","2018-10-05","7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one","2018-10-10"],["1J1","N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine","C11 H19 N3 O3","O=C(NCCCCC(C(=O)O)N)C1N=CCC1;N[CH](CCCCNC(=O)[CH]1CCC=N1)C(O)=O;C1CC(N=C1)C(=O)NCCCCC(C(=O)O)N","InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1","pyrroline-carboxy-lysine; PCL","2013-02-11","2020-05-26","N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine","2013-06-12"],["JNQ","(2S,3R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C16 H23 N3 O5 S2","C[CH](O)[CH]([CH]1N=C([CH](SC2CN(C2)C3=NCCS3)[CH]1C)C(O)=O)C(O)=O;CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CN(C2)C3=NCCS3","InChI=1S/C16H23N3O5S2/c1-7-11(10(8(2)20)14(21)22)18-12(15(23)24)13(7)26-9-5-19(6-9)16-17-3-4-25-16/h7-11,13,20H,3-6H2,1-2H3,(H,21,22)(H,23,24)/t7-,8-,10-,11-,13+/m1/s1","hydrolysed tebipenem","2022-05-06","2023-03-03","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2023-03-08"],["1J2","trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol","C24 H31 N5 O3 S","O=S(=O)(C5CCN(c4c3ccn(c1nc(ncc1)NC2CCC(O)CC2)c3ccc4)CC5)C;C[S](=O)(=O)[CH]1CCN(CC1)c2cccc3n(ccc23)c4ccnc(N[CH]5CC[CH](O)CC5)n4;CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O","InChI=1S/C24H31N5O3S/c1-33(31,32)19-10-14-28(15-11-19)21-3-2-4-22-20(21)12-16-29(22)23-9-13-25-24(27-23)26-17-5-7-18(30)8-6-17/h2-4,9,12-13,16-19,30H,5-8,10-11,14-15H2,1H3,(H,25,26,27)/t17-,18-","","2013-02-11","2013-12-13","trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol","2013-12-18"],["JNR","(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid","C13 H18 N4 O3","NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1","","2022-08-24","2025-10-06","(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid","2024-08-14"],["1J3","4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide","C28 H37 F N8 O3","O=C(NN1CCN(CC1)C)c5ccc(Nc4nc3N(C2CCCC2)CC(F)(/C=C)C(=O)N(c3cn4)C)c(OC)c5;COc1cc(ccc1Nc2ncc3N(C)C(=O)[C](F)(CN(C4CCCC4)c3n2)C=C)C(=O)NN5CCN(C)CC5;CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(C=C)F)C5CCCC5","InChI=1S/C28H37FN8O3/c1-5-28(29)18-37(20-8-6-7-9-20)24-22(35(3)26(28)39)17-30-27(32-24)31-21-11-10-19(16-23(21)40-4)25(38)33-36-14-12-34(2)13-15-36/h5,10-11,16-17,20H,1,6-9,12-15,18H2,2-4H3,(H,33,38)(H,30,31,32)/t28-/m1/s1","","2013-02-12","2013-05-24","4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide","2013-05-29"],["JNS","5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid","C16 H12 O4","O=C(O)c1c(ccc2OCOc12)/C=Cc3ccccc3;OC(=O)c1c2OCOc2ccc1C=Cc3ccccc3;c1ccc(cc1)C=Cc2ccc3c(c2C(=O)O)OCO3","InChI=1S/C16H12O4/c17-16(18)14-12(7-6-11-4-2-1-3-5-11)8-9-13-15(14)20-10-19-13/h1-9H,10H2,(H,17,18)/b7-6-","","2013-12-23","2014-04-15","5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid","2014-01-22"],["1J4","4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide","C27 H34 F3 N7 O3","FC5(F)C(=O)N(c1c(nc(nc1)Nc3c(OC)cc(C(=O)NC2CCN(C)CC2)c(F)c3)N(C4CCCC4)C5)C;COc1cc(c(F)cc1Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5;CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC","InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)","","2013-02-12","2013-05-24","4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide","2013-05-29"],["1J5","trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile","C17 H19 N5 O","N#CC4CCC(n3c(nc2cnc1nccc1c23)C(O)C)CC4;C[CH](O)c1nc2cnc3[nH]ccc3c2n1[CH]4CC[CH](CC4)C#N;CC(c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O","InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1","","2013-02-14","2013-05-17","trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile","2013-05-22"],["JNT","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","C15 H25 N5 O14 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O)O)N","InChI=1S/C15H25N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h4-8,10-12,15,21-26H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1","","2019-03-13","2024-09-27","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate","2020-04-01"],["1J6","(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile","C18 H21 N5 O","N#CCC4CCC(n3c(nc2cnc1nccc1c23)C(O)C)CC4;C[CH](O)c1nc2cnc3[nH]ccc3c2n1[CH]4CC[CH](CC4)CC#N;CC(c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O","InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1","","2013-02-14","2013-05-17","(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile","2013-05-22"],["JNU","(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine","C17 H20 F3 N7","Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1;Cn1nc(nc1CCc2ccc3nc(c(C)n3n2)C(F)(F)F)N4CCCC4;Cc1c(nc2n1nc(cc2)CCc3nc(nn3C)N4CCCC4)C(F)(F)F","InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3","","2022-02-01","2022-10-07","(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine","2022-10-12"],["JNV","1-(3,4-dichlorophenyl)propan-2-one","C9 H8 Cl2 O","c1(cc(CC(C)=O)ccc1Cl)Cl;CC(=O)Cc1ccc(Cl)c(Cl)c1;CC(=O)Cc1ccc(c(c1)Cl)Cl","InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3","","2018-09-11","2018-10-05","1-(3,4-dichlorophenyl)propan-2-one","2018-10-10"],["1J9","(2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide","C21 H18 Cl2 N6 O4","Clc1ccc(nc1)NC(=O)C(Oc2ncnc3c2cnn3c4ccccc4Cl)COCCO;OCCOC[CH](Oc1ncnc2n(ncc12)c3ccccc3Cl)C(=O)Nc4ccc(Cl)cn4;c1ccc(c(c1)n2c3c(cn2)c(ncn3)OC(COCCO)C(=O)Nc4ccc(cn4)Cl)Cl","InChI=1S/C21H18Cl2N6O4/c22-13-5-6-18(24-9-13)28-20(31)17(11-32-8-7-30)33-21-14-10-27-29(19(14)25-12-26-21)16-4-2-1-3-15(16)23/h1-6,9-10,12,17,30H,7-8,11H2,(H,24,28,31)/t17-/m0/s1","","2013-02-14","2013-04-19","(2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide","2013-04-24"],["JNW","2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid","C13 H12 N2 O5","OC(=O)c1ccccc1C(=O)N[CH]2CCC(=O)NC2=O;c1ccc(c(c1)C(=O)NC2CCC(=O)NC2=O)C(=O)O","InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)/t9-/m0/s1","","2019-03-13","2019-08-02","2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid","2019-08-07"],["1JA","2-ethylpyridine-4-carboximidothioic acid","C8 H10 N2 S","CCc1cc(ccn1)C(S)=N;CCc1cc(ccn1)C(=N)S","InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)","","2021-06-28","2022-07-08","2-ethylpyridine-4-carboximidothioic acid","2022-07-13"],["1JB","[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]\n[(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","C16 H26 N2 O15 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C;C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O","InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1","dTDP-fucose","2013-02-14","2020-06-17","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2013-05-22"],["JNX","(2~{R},5~{S})-5-(aminocarbonyloxymethyl)-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","C16 H19 N3 O8 S2","CO[C](NC(=O)Cc1sccc1)([CH]2SC[CH](COC(N)=O)C(=N2)C(O)=O)C(O)=O;COC(C1N=C(C(CS1)COC(=O)N)C(=O)O)(C(=O)O)NC(=O)Cc2cccs2","InChI=1S/C16H19N3O8S2/c1-26-16(14(23)24,19-10(20)5-9-3-2-4-28-9)13-18-11(12(21)22)8(7-29-13)6-27-15(17)25/h2-4,8,13H,5-7H2,1H3,(H2,17,25)(H,19,20)(H,21,22)(H,23,24)/t8-,13+,16+/m0/s1","hydrolysed cefoxitin","2022-05-06","2023-03-03","(2~{R},5~{S})-5-(aminocarbonyloxymethyl)-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2023-03-08"],["JNY","6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile","C8 H5 F3 N2 O","CC1=CC(C(F)(F)F)=C(C#N)C(N1)=O;CC1=CC(=C(C#N)C(=O)N1)C(F)(F)F;CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F","InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)","","2018-09-11","2018-10-05","6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile","2018-10-10"],["1JC","1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide","C29 H28 N6 O3 S","O=S(=O)(NCc1ncccc1)Cc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5;O=C1c2cc(C[S](=O)(=O)NCc3ccccn3)ccc2C=Cc4ncc(cc14)c5cnn(c5)C6CCNCC6;c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6","InChI=1S/C29H28N6O3S/c36-29-26-13-20(19-39(37,38)34-17-24-3-1-2-10-31-24)4-5-21(26)6-7-28-27(29)14-22(15-32-28)23-16-33-35(18-23)25-8-11-30-12-9-25/h1-7,10,13-16,18,25,30,34H,8-9,11-12,17,19H2","","2013-02-14","2013-12-06","1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide","2013-12-11"],["JNZ","1H-indazol-3-amine","C7 H7 N3","n2c(c1ccccc1n2)N;Nc1n[nH]c2ccccc12;c1ccc2c(c1)c(n[nH]2)N","InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)","","2010-07-21","2011-06-04","1H-indazol-3-amine",""],["1JD","(2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide","C22 H22 Cl N7 O3","O=C(Nc1ncc(cc1)C)C(Oc2ncnc3c2cnn3c4ncccc4Cl)COC(C)C;CC(C)OC[CH](Oc1ncnc2n(ncc12)c3ncccc3Cl)C(=O)Nc4ccc(C)cn4;Cc1ccc(nc1)NC(=O)C(COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl","InChI=1S/C22H22ClN7O3/c1-13(2)32-11-17(21(31)29-18-7-6-14(3)9-25-18)33-22-15-10-28-30(19(15)26-12-27-22)20-16(23)5-4-8-24-20/h4-10,12-13,17H,11H2,1-3H3,(H,25,29,31)/t17-/m0/s1","","2013-02-14","2013-04-19","(2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide","2013-04-24"],["JO0","2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine","C15 H15 Cl2 N5","Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1;c1cc(cc(c1)Cl)CN2CNc3c2nc(nc3NC4CC4)Cl","InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21)","","2023-08-08","2023-12-01","2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine","2023-12-06"],["1JE","[(1R)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid","C16 H17 Cl2 N O3","O=C(O)CC3(OCCc2c3nc1c(Cl)ccc(Cl)c12)CCC;CCC[C]1(CC(O)=O)OCCc2c1[nH]c3c(Cl)ccc(Cl)c23;CCCC1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O","InChI=1S/C16H17Cl2NO3/c1-2-6-16(8-12(20)21)15-9(5-7-22-16)13-10(17)3-4-11(18)14(13)19-15/h3-4,19H,2,5-8H2,1H3,(H,20,21)/t16-/m1/s1","","2013-02-15","2013-04-12","[(1R)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid","2013-04-17"],["1JF","4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid","C13 H7 Cl4 N O4 S","Clc1cc(c(Cl)cc1Cl)S(=O)(=O)Nc2cc(Cl)ccc2C(=O)O;OC(=O)c1ccc(Cl)cc1N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl;c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O","InChI=1S/C13H7Cl4NO4S/c14-6-1-2-7(13(19)20)11(3-6)18-23(21,22)12-5-9(16)8(15)4-10(12)17/h1-5,18H,(H,19,20)","","2013-02-15","2013-04-12","4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid","2013-04-17"],["JO1","1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide","C10 H11 N3 O S","C(c1sccc1)NC(c2ccnn2C)=O;Cn1nccc1C(=O)NCc2sccc2;Cn1c(ccn1)C(=O)NCc2cccs2","InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)","","2018-09-11","2018-10-05","1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide","2018-10-10"],["1JG","2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid","C11 H7 Br Cl N O4 S2","O=S(=O)(c1sc(Br)cc1)Nc2cc(Cl)ccc2C(=O)O;OC(=O)c1ccc(Cl)cc1N[S](=O)(=O)c2sc(Br)cc2;c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O","InChI=1S/C11H7BrClNO4S2/c12-9-3-4-10(19-9)20(17,18)14-8-5-6(13)1-2-7(8)11(15)16/h1-5,14H,(H,15,16)","","2013-02-15","2013-04-12","2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid","2013-04-17"],["JO2","2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid","C12 H9 N3 O7","OC(=O)c1ccc(cc1C(=O)N[CH]2CC(=O)NC2=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)NC2CC(=O)NC2=O)C(=O)O","InChI=1S/C12H9N3O7/c16-9-4-8(11(18)14-9)13-10(17)7-3-5(15(21)22)1-2-6(7)12(19)20/h1-3,8H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t8-/m0/s1","","2019-03-13","2019-08-02","2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid","2019-08-07"],["1JH","2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid","C20 H17 N O5 S","O=S(=O)(Nc2ccc(Oc1ccccc1)cc2C(=O)O)c3ccc(cc3)C;Cc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(O)=O;Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3","InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)","","2013-02-15","2013-04-12","2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid","2013-04-17"],["JO3","(2R)-2-methylbutanedioic acid","C5 H8 O4","O=C(O)CC(C(=O)O)C;C[CH](CC(O)=O)C(O)=O;CC(CC(=O)O)C(=O)O","InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1","","2014-07-24","2024-09-27","(2R)-2-methylbutanedioic acid","2014-08-20"],["1JI","4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide","C25 H23 Cl N4 O2","O=C(NC1CNCC1c1ccccc1)c1ccc(Cl)c(COc2cc3cc[NH]c3nc2)c1;Clc1ccc(cc1COc2cnc3[nH]ccc3c2)C(=O)N[CH]4CNC[CH]4c5ccccc5;c1ccc(cc1)C2CNCC2NC(=O)c3ccc(c(c3)COc4cc5cc[nH]c5nc4)Cl","InChI=1S/C25H23ClN4O2/c26-22-7-6-18(10-19(22)15-32-20-11-17-8-9-28-24(17)29-12-20)25(31)30-23-14-27-13-21(23)16-4-2-1-3-5-16/h1-12,21,23,27H,13-15H2,(H,28,29)(H,30,31)/t21-,23+/m0/s1","","2021-06-22","2022-06-24","4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide","2022-06-29"],["JO4","4-phenoxybenzoic acid","C13 H10 O3","c1ccccc1Oc2ccc(C(=O)O)cc2;OC(=O)c1ccc(Oc2ccccc2)cc1;c1ccc(cc1)Oc2ccc(cc2)C(=O)O","InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)","","2018-09-11","2018-10-05","4-phenoxybenzoic acid","2018-10-10"],["1JJ","[(1S)-1-hydroxypropyl]phosphonic acid","C3 H9 O4 P","O=P(O)(O)C(O)CC;CC[CH](O)[P](O)(O)=O;CCC(O)P(=O)(O)O","InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1","","2013-02-15","2013-03-29","[(1S)-1-hydroxypropyl]phosphonic acid","2013-04-03"],["JO5","4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione","C12 H9 N3 O4","Nc1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12;c1cc2c(c(c1)N)C(=O)N(C2=O)C3CC(=O)NC3=O","InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/t7-/m0/s1","","2019-03-13","2019-08-02","4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione","2019-08-07"],["JO6","(4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine","C16 H11 Cl3 N4 S","Clc1cc(Cl)c(C)n2nc(nc12)CCc1nc2cc(Cl)ccc2s1;Cc1n2nc(CCc3sc4ccc(Cl)cc4n3)nc2c(Cl)cc1Cl;Cc1c(cc(c2n1nc(n2)CCc3nc4cc(ccc4s3)Cl)Cl)Cl","InChI=1S/C16H11Cl3N4S/c1-8-10(18)7-11(19)16-21-14(22-23(8)16)4-5-15-20-12-6-9(17)2-3-13(12)24-15/h2-3,6-7H,4-5H2,1H3","","2022-02-01","2022-10-07","(4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine","2022-10-12"],["1JK","(2S)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid","C13 H13 N O3","O=C(O)C(C)Cc2onc(c1ccccc1)c2;C[CH](Cc1onc(c1)c2ccccc2)C(O)=O;CC(Cc1cc(no1)c2ccccc2)C(=O)O","InChI=1S/C13H13NO3/c1-9(13(15)16)7-11-8-12(14-17-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,15,16)/t9-/m0/s1","","2013-10-08","2014-09-05","(2S)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid","2013-12-11"],["JO7","(1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol","C10 H19 N O4 S","COC1CN(C2CCC(O)C1C2)S(=O)(C)=O;CO[CH]1CN([CH]2CC[CH](O)[CH]1C2)[S](C)(=O)=O;COC1CN(C2CCC(C1C2)O)S(=O)(=O)C","InChI=1S/C10H19NO4S/c1-15-10-6-11(16(2,13)14)7-3-4-9(12)8(10)5-7/h7-10,12H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1","","2018-09-11","2018-10-05","(1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol","2018-10-10"],["1JL","2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid","C20 H17 N O5 S","O=S(=O)(Nc2cc(Oc1ccccc1)ccc2C(=O)O)c3ccc(cc3)C;Cc1ccc(cc1)[S](=O)(=O)Nc2cc(Oc3ccccc3)ccc2C(O)=O;Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3","InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)","","2013-02-15","2013-04-12","2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid","2013-04-17"],["JO8","3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid","C12 H11 N3 O5","Nc1cccc(C(O)=O)c1C(=O)N[CH]2CC(=O)NC2=O;c1cc(c(c(c1)N)C(=O)NC2CC(=O)NC2=O)C(=O)O","InChI=1S/C12H11N3O5/c13-6-3-1-2-5(12(19)20)9(6)11(18)14-7-4-8(16)15-10(7)17/h1-3,7H,4,13H2,(H,14,18)(H,19,20)(H,15,16,17)/t7-/m0/s1","","2019-03-13","2019-08-02","3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid","2019-08-07"],["1JM","4-carboxy-N-methyl-D-phenylalanine","C11 H13 N O4","O=C(O)C(NC)Cc1ccc(cc1)C(=O)O;CN[CH](Cc1ccc(cc1)C(O)=O)C(O)=O;CNC(Cc1ccc(cc1)C(=O)O)C(=O)O","InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1","","2013-02-15","2024-09-27","4-carboxy-N-methyl-D-phenylalanine","2013-11-06"],["1JN","1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole","C19 H20 N2 O","n3c1c(cc2c(c1)CCC2)n(c3)Cc4ccc(OC)c(c4)C;COc1ccc(Cn2cnc3cc4CCCc4cc23)cc1C;Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4","InChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3","","2013-02-18","2014-07-18","1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole","2014-07-23"],["JO9","(2~{R},4~{S})-2-[(1~{R})-2-(azepan-1-yl)-1-formamido-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C15 H25 N3 O4 S","CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC=O)C(=O)N2CCCCCC2;CC1(C(NC(S1)C(C(=O)N2CCCCCC2)NC=O)C(=O)O)C","InChI=1S/C15H25N3O4S/c1-15(2)11(14(21)22)17-12(23-15)10(16-9-19)13(20)18-7-5-3-4-6-8-18/h9-12,17H,3-8H2,1-2H3,(H,16,19)(H,21,22)/t10-,11-,12+/m0/s1","mecillinam degradation product","2022-05-06","2023-03-03","(2~{R},4~{S})-2-[(1~{R})-2-(azepan-1-yl)-1-formamido-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2023-03-08"],["1JO","D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine","C20 H29 N3 O6 S","O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCCCc1ccccc1;N[CH](CCC(=O)N[CH](CSCCCCc1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)CCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C20H29N3O6S/c21-15(20(28)29)9-10-17(24)23-16(19(27)22-12-18(25)26)13-30-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,21H2,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t15-,16+/m1/s1","","2013-02-19","2013-12-27","D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine","2014-01-01"],["JOA","(1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane","C11 H21 N O4 S","C1C(C2C(OC)CCC(N1S(C)(=O)=O)C2)OC;CO[CH]1CC[CH]2C[CH]1[CH](CN2[S](C)(=O)=O)OC;COC1CCC2CC1C(CN2S(=O)(=O)C)OC","InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1","","2018-09-12","2018-10-05","(1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane","2018-10-10"],["JOB","5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione","C12 H9 N3 O4","Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1;c1cc2c(cc1N)C(=O)N(C2=O)C3CC(=O)NC3=O","InChI=1S/C12H9N3O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/m0/s1","","2019-03-13","2019-08-02","5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione","2019-08-07"],["1JP","D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide","C20 H27 N3 O7 S","O=C(O)C(N)CCC(=O)NC(C(=O)/N=CC(=O)O)CSCC(O)CCc1ccccc1;N[CH](CCC(=O)N[CH](CSC[CH](O)CCc1ccccc1)C(=O)N=CC(O)=O)C(O)=O;c1ccc(cc1)CCC(CSCC(C(=O)N=CC(=O)O)NC(=O)CCC(C(=O)O)N)O","InChI=1S/C20H27N3O7S/c21-15(20(29)30)8-9-17(25)23-16(19(28)22-10-18(26)27)12-31-11-14(24)7-6-13-4-2-1-3-5-13/h1-5,10,14-16,24H,6-9,11-12,21H2,(H,23,25)(H,26,27)(H,29,30)/b22-10-/t14-,15-,16+/m1/s1","","2013-02-19","2013-12-27","D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide","2014-01-01"],["JOC","Trioxacarcin A, bound form","C42 H54 O20","COC(OC)[C]12O[CH]3[CH](O1)[C](O[CH]4C[CH](O)[C](O)([CH](C)O4)C(C)=O)(Oc5c3c(C)cc6c(OC)c7[CH](C[CH](O)C(=O)c7c(O)c56)O[CH]8C[C](C)(O)[CH](OC(C)=O)[CH](C)O8)[C]2(C)O;Cc1cc2c(c(c3c(c2OC)C(CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O)c5c1C6C7C(O5)(C(C(O6)(O7)C(OC)OC)(C)O)OC8CC(C(C(O8)C)(C(=O)C)O)O","InChI=1S/C42H54O20/c1-15-11-20-27(31(48)29-28(32(20)52-8)22(12-21(45)30(29)47)58-25-14-38(6,49)35(16(2)55-25)57-19(5)44)33-26(15)34-36-41(60-33,39(7,50)42(61-34,62-36)37(53-9)54-10)59-24-13-23(46)40(51,17(3)43)18(4)56-24/h11,16,18,21-25,34-37,45-46,48-51H,12-14H2,1-10H3/t16-,18-,21-,22-,23+,24-,25-,34-,35+,36-,38+,39-,40+,41+,42-/m0/s1","","2022-08-24","2023-09-01","","2023-09-06"],["1JQ","(2R)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid","C13 H13 N O3","C[CH](Cc1onc(c1)c2ccccc2)C(O)=O;CC(Cc1cc(no1)c2ccccc2)C(=O)O","InChI=1S/C13H13NO3/c1-9(13(15)16)7-11-8-12(14-17-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,15,16)/t9-/m1/s1","","2010-11-18","2012-01-13","(2R)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid",""],["1JR","(4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one","C16 H12 N4 O","O=C3NC(c2c(c1ccccc1)nnc23)c4cccnc4;O=C1N[CH](c2cccnc2)c3c([nH]nc13)c4ccccc4;c1ccc(cc1)c2c3c(n[nH]2)C(=O)NC3c4cccnc4","InChI=1S/C16H12N4O/c21-16-15-12(13(18-16)11-7-4-8-17-9-11)14(19-20-15)10-5-2-1-3-6-10/h1-9,13H,(H,18,21)(H,19,20)/t13-/m0/s1","","2013-02-19","2013-07-05","(4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one","2013-07-10"],["JOD","(5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one","C9 H13 N O3","C2C1C3(O)CCC(N1C(O2)=O)CC3;OC12CCC(CC1)N3[CH]2COC3=O;C1CC2(CCC1N3C2COC3=O)O","InChI=1S/C9H13NO3/c11-8-10-6-1-3-9(12,4-2-6)7(10)5-13-8/h6-7,12H,1-5H2/t6-,7-,9-/m0/s1","","2018-09-12","2018-10-05","(5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one","2018-10-10"],["JOE","2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid","C12 H9 N3 O7","OC(=O)c1c(cccc1[N+]([O-])=O)C(=O)N[CH]2CC(=O)NC2=O;c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)NC2CC(=O)NC2=O","InChI=1S/C12H9N3O7/c16-8-4-6(11(18)14-8)13-10(17)5-2-1-3-7(15(21)22)9(5)12(19)20/h1-3,6H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t6-/m0/s1","","2019-03-13","2019-08-02","2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid","2019-08-07"],["1JS","N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide","C23 H25 N3 O5","O=C(NC(C(=O)NO)CCC(=O)NCCCO)c2ccc(C#Cc1ccccc1)cc2;OCCCNC(=O)CC[CH](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)NO;c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC(CCC(=O)NCCCO)C(=O)NO","InChI=1S/C23H25N3O5/c27-16-4-15-24-21(28)14-13-20(23(30)26-31)25-22(29)19-11-9-18(10-12-19)8-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,20,27,31H,4,13-16H2,(H,24,28)(H,25,29)(H,26,30)/t20-/m0/s1","","2013-02-20","2013-03-29","N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide","2013-04-03"],["JOF","5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one","C11 H9 Cl N2 O2","O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C;CN1Cc2c([nH]c3c(Cl)ccc(O)c23)C1=O;CN1Cc2c3c(ccc(c3[nH]c2C1=O)Cl)O","InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3","","2022-02-01","2022-10-07","5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one","2022-10-12"],["1JT","1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole","C20 H22 N2 O","n3c1c(cc2c(c1)CCCC2)n(c3)Cc4ccc(OC)c(c4)C;COc1ccc(Cn2cnc3cc4CCCCc4cc23)cc1C;Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4","InChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3","","2013-02-21","2014-07-18","1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole","2014-07-23"],["JOG","(1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide","C15 H20 N2 O3","C2N(C1CCC(O)C(C1)C2O)C(=O)Nc3ccccc3;O[CH]1CC[CH]2C[CH]1[CH](O)CN2C(=O)Nc3ccccc3;c1ccc(cc1)NC(=O)N2CC(C3CC2CCC3O)O","InChI=1S/C15H20N2O3/c18-13-7-6-11-8-12(13)14(19)9-17(11)15(20)16-10-4-2-1-3-5-10/h1-5,11-14,18-19H,6-9H2,(H,16,20)/t11-,12-,13+,14+/m1/s1","","2018-09-12","2018-10-05","(1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide","2018-10-10"],["1JU","1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole","C19 H18 N2 O2","O1c2ccc(cc2OC1)Cn3c4cc5c(cc4nc3)CCCC5;C1CCc2cc3n(Cc4ccc5OCOc5c4)cnc3cc2C1;c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2","InChI=1S/C19H18N2O2/c1-2-4-15-9-17-16(8-14(15)3-1)20-11-21(17)10-13-5-6-18-19(7-13)23-12-22-18/h5-9,11H,1-4,10,12H2","","2013-02-21","2014-07-18","1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole","2014-07-23"],["1JV","2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol","C22 H21 F3 N6 O2 S","FC(F)(F)Cn5ncnc5c1nc4c(s1)CCOc3cc(c2cn(nc2)CC(O)(C)C)ccc34;CC(C)(O)Cn1cc(cn1)c2ccc3c(OCCc4sc(nc34)c5ncnn5CC(F)(F)F)c2;CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O","InChI=1S/C22H21F3N6O2S/c1-21(2,32)10-30-9-14(8-27-30)13-3-4-15-16(7-13)33-6-5-17-18(15)29-20(34-17)19-26-12-28-31(19)11-22(23,24)25/h3-4,7-9,12,32H,5-6,10-11H2,1-2H3","","2013-02-21","2013-08-23","2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol","2013-08-28"],["JOH","2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione","C12 H7 N3 O6","[O-][N+](=O)c1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12;c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)C3CC(=O)NC3=O","InChI=1S/C12H7N3O6/c16-8-4-7(10(17)13-8)14-11(18)5-2-1-3-6(15(20)21)9(5)12(14)19/h1-3,7H,4H2,(H,13,16,17)/t7-/m0/s1","","2019-03-13","2019-08-02","2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione","2019-08-07"],["1JW","(2S)-hexane-1,2,6-triol","C6 H14 O3","OCCCC[CH](O)CO;C(CCO)CC(CO)O","InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1","(-)-1,2,6-Hexanetriol; 6999990","2021-06-12","2021-10-29","(2~{S})-hexane-1,2,6-triol","2021-11-03"],["JOI","(2R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C15 H23 N3 O5 S","C[CH](O)[CH]([CH]1C[CH](S[CH]2CCN(C2)C(C)=N)C(=N1)C(O)=O)C(O)=O;CC(C(C1CC(C(=N1)C(=O)O)SC2CCN(C2)C(=N)C)C(=O)O)O","InChI=1S/C15H23N3O5S/c1-7(19)12(14(20)21)10-5-11(13(17-10)15(22)23)24-9-3-4-18(6-9)8(2)16/h7,9-12,16,19H,3-6H2,1-2H3,(H,20,21)(H,22,23)/b16-8+/t7-,9+,10-,11+,12-/m1/s1","hydrolysed panipenem","2022-05-06","2023-03-03","(2~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S})-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2023-03-08"],["JOJ","2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide","C5 H5 Cl2 N3 S","c1(n(CC(N)=S)cnc1Cl)Cl;NC(=S)Cn1cnc(Cl)c1Cl;c1nc(c(n1CC(=S)N)Cl)Cl","InChI=1S/C5H5Cl2N3S/c6-4-5(7)10(2-9-4)1-3(8)11/h2H,1H2,(H2,8,11)","","2018-09-12","2018-10-05","2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide","2018-10-10"],["1JX","(2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one","C8 H9 N3 O","O=C2Nc1ncccc1NC2C;C[CH]1Nc2cccnc2NC1=O;CC1C(=O)Nc2c(cccn2)N1","InChI=1S/C8H9N3O/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-5,10H,1H3,(H,9,11,12)/t5-/m1/s1","","2013-02-21","2013-03-15","(2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one","2013-03-20"],["JOK","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide","C13 H14 N2 O3","O=C(CCc1ccccc1)N[CH]2CC(=O)NC2=O;c1ccc(cc1)CCC(=O)NC2CC(=O)NC2=O","InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1","","2019-03-14","2019-08-02","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide","2019-08-07"],["1JY","N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid","C32 H33 N5 O10","O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)C4c3c(cc2c(C(=O)N=C(N2)CO)c3)CC4)CCC(=O)O;OCC1=NC(=O)c2cc3[CH](CCc3cc2N1)N(CC#C)c4ccc(cc4)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O;C#CCN(c1ccc(cc1)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C2CCc3c2cc4c(c3)NC(=NC4=O)CO","InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1","","2013-02-22","2013-12-20","N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid","2013-12-25"],["1JZ","1-[4-(hydroxymethyl)phenyl]guanidine","C8 H11 N3 O","[N@H]=C(Nc1ccc(cc1)CO)N;NC(=N)Nc1ccc(CO)cc1;[H]N=C(N)Nc1ccc(cc1)CO","InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11)","","2009-01-30","2011-06-04","1-[4-(hydroxymethyl)phenyl]guanidine",""],["JOL","2-chloranyl-~{N}-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","C15 H21 Cl N2 O3 S","Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl;Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)CNC(=O)CCl","InChI=1S/C15H21ClN2O3S/c1-12-2-4-14(5-3-12)22(20,21)18-8-6-13(7-9-18)11-17-15(19)10-16/h2-5,13H,6-11H2,1H3,(H,17,19)","","2023-08-08","2025-02-14","2-chloranyl-~{N}-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","2025-02-19"],["1K0","2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one","C20 H22 N2 O5","O=C2c3c(N=C(c1cc(c(OCCO)c(c1)C)C)N2)cc(OC)cc3OC;COc1cc(OC)c2C(=O)NC(=Nc2c1)c3cc(C)c(OCCO)c(C)c3;Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC","InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)","","2013-02-25","2013-11-22","2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one","2013-11-27"],["JOM","5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione","C9 H6 F3 N3 S2","C2(Nc1ccc(cc1)C(F)(F)F)=NNC(=S)S2;FC(F)(F)c1ccc(NC2=NNC(=S)S2)cc1;c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2","InChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-3-6(4-2-5)13-7-14-15-8(16)17-7/h1-4H,(H,13,14)(H,15,16)","","2018-09-12","2018-10-05","5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione","2018-10-10"],["JON","[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate","C10 H15 N3 O4","O=C1C[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1;C1CC(NC1)COC(=O)NC2CC(=O)NC2=O","InChI=1S/C10H15N3O4/c14-8-4-7(9(15)13-8)12-10(16)17-5-6-2-1-3-11-6/h6-7,11H,1-5H2,(H,12,16)(H,13,14,15)/t6-,7-/m0/s1","","2019-03-14","2019-08-02","[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate","2019-08-07"],["1K1","[(2R)-1-[[(2R)-3-[(2S)-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (E)-octadec-9-enoate","C46 H89 N2 O11 P","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)COC(=O)[CH](N)CCCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COC(=O)C(CCCCN)N)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C46H89N2O11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35-45(51)59-42(39-55-44(50)34-29-27-25-23-21-19-16-14-12-10-8-6-4-2)40-58-60(53,54)57-38-41(49)37-56-46(52)43(48)33-31-32-36-47/h17-18,41-43,49H,3-16,19-40,47-48H2,1-2H3,(H,53,54)/b18-17+/t41-,42-,43+/m1/s1","","2021-06-29","2022-06-17","[(2~{R})-1-[[(2~{R})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{E})-octadec-9-enoate","2022-06-22"],["JOO","3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one","C20 H14 F2 N4 O3 S","CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F;C[S](=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cc(F)ccc4F;CS(=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cc(ccc4F)F","InChI=1S/C20H14F2N4O3S/c1-30(28,29)15-4-2-3-14(12-15)25-10-8-19(27)20(24-25)17-7-9-23-26(17)18-11-13(21)5-6-16(18)22/h2-12H,1H3","","2022-02-01","2022-10-07","3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one","2022-10-12"],["1K2","3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide","C24 H20 Cl N3 O2","O=C(NC1CC1c1ccccc1)c1cc(cc(Cl)c1)COc1cc2cc[NH]c2nc1;Clc1cc(COc2cnc3[nH]ccc3c2)cc(c1)C(=O)N[CH]4C[CH]4c5ccccc5;c1ccc(cc1)C2CC2NC(=O)c3cc(cc(c3)Cl)COc4cc5cc[nH]c5nc4","InChI=1S/C24H20ClN3O2/c25-19-9-15(14-30-20-11-17-6-7-26-23(17)27-13-20)8-18(10-19)24(29)28-22-12-21(22)16-4-2-1-3-5-16/h1-11,13,21-22H,12,14H2,(H,26,27)(H,28,29)/t21-,22+/m0/s1","","2021-06-22","2022-06-24","3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide","2022-06-29"],["1K3","5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine","C24 H26 N6 O","n2c5cccc(c1ccc(OC)cc1)n5nc2Nc4ccc(N3CCN(C)CC3)cc4;COc1ccc(cc1)c2cccc3nc(Nc4ccc(cc4)N5CCN(C)CC5)nn23;CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC","InChI=1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27)","","2013-03-26","2013-08-02","5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine","2013-08-07"],["JOP","N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea","C11 H20 N2 O S","C1C(NC(NCC(C)O)=S)C2CCC1C2;C[CH](O)CNC(=S)N[CH]1C[CH]2CC[CH]1C2;CC(CNC(=S)NC1CC2CCC1C2)O","InChI=1S/C11H20N2OS/c1-7(14)6-12-11(15)13-10-5-8-2-3-9(10)4-8/h7-10,14H,2-6H2,1H3,(H2,12,13,15)/t7-,8+,9-,10+/m1/s1","","2018-09-12","2018-10-05","N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea","2018-10-10"],["1K4","N-decanoyl-L-homoserine","C14 H27 N O4","O=C(NC(C(=O)O)CCO)CCCCCCCCC;CCCCCCCCCC(=O)N[CH](CCO)C(O)=O;CCCCCCCCCC(=O)NC(CCO)C(=O)O","InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-13(17)15-12(10-11-16)14(18)19/h12,16H,2-11H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1","","2013-02-26","2013-06-21","N-decanoyl-L-homoserine","2013-06-26"],["JOQ","[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate","C13 H15 N3 O4","NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1;c1cc(ccc1CN)COC(=O)NC2CC(=O)NC2=O","InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/t10-/m0/s1","","2019-03-14","2019-08-02","[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate","2019-08-07"],["JOR","5-fluoranyl-2-(methylsulfonylamino)benzoic acid","C8 H8 F N O4 S","C[S](=O)(=O)Nc1ccc(F)cc1C(O)=O;CS(=O)(=O)Nc1ccc(cc1C(=O)O)F","InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)","","2020-06-10","2021-06-18","5-fluoranyl-2-(methylsulfonylamino)benzoic acid","2021-06-23"],["1K5","(9-oxoacridin-10(9H)-yl)acetic acid","C15 H11 N O3","O=C(O)CN3c1ccccc1C(=O)c2c3cccc2;OC(=O)CN1c2ccccc2C(=O)c3ccccc13;c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O","InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)","","2013-02-27","2013-05-03","(9-oxoacridin-10(9H)-yl)acetic acid","2013-05-08"],["JOS","(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE","C42 H69 N O15","O=C(OC1C(O)(C)CC(OC1C)OC3C(OC(OC2C(OC)C(OC(=O)C)CC(=O)OC(C=CC=CCC(O)C(C)CC2CC=O)C)C(O)C3N(C)C)C)CC(C)C;CO[CH]1[CH](CC(=O)O[CH](C)C=CC=CC[CH](O)[CH](C)C[CH](CC=O)[CH]1O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](OC(=O)CC(C)C)[CH](C)O3)[CH]([CH]2O)N(C)C)OC(C)=O;CC1CC(C(C(C(CC(=O)OC(C=CC=CCC1O)C)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O","InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-15,18,23-27,29-31,34-41,46,49-50H,16-17,19-22H2,1-11H3/b14-12+,15-13-/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1","JOSAMYCIN","2006-12-12","2021-03-01","(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)",""],["1K6","(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoic acid","C8 H14 O4","O=C(O)C(O)C(C=O)C(CC)C;CC[CH](C)[CH](C=O)[CH](O)C(O)=O;CCC(C)C(C=O)C(C(=O)O)O","InChI=1S/C8H14O4/c1-3-5(2)6(4-9)7(10)8(11)12/h4-7,10H,3H2,1-2H3,(H,11,12)/t5-,6-,7+/m0/s1","","2013-03-01","2013-04-12","(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoic acid","2013-04-17"],["1K7","(1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine","C13 H20 N2","N[CH](CCc1ccccc1)C[CH]2C[CH]2N;c1ccc(cc1)CCC(CC2CC2N)N","InChI=1S/C13H20N2/c14-12(8-11-9-13(11)15)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t11-,12-,13+/m1/s1","","2013-03-01","2013-04-12","(1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine","2013-04-17"],["JOT","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide","C12 H12 N2 O3","O=C1C[CH](NC(=O)Cc2ccccc2)C(=O)N1;c1ccc(cc1)CC(=O)NC2CC(=O)NC2=O","InChI=1S/C12H12N2O3/c15-10(6-8-4-2-1-3-5-8)13-9-7-11(16)14-12(9)17/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1","","2019-03-14","2019-08-02","~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide","2019-08-07"],["JOU","(2R,5R)-2-[(1S)-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C15 H19 N7 O6 S3","CO[C](NC(=O)CSCC#N)([CH]1SC[CH](CSc2nnnn2C)C(=N1)C(O)=O)C(O)=O;Cn1c(nnn1)SCC2CSC(N=C2C(=O)O)C(C(=O)O)(NC(=O)CSCC#N)OC","InChI=1S/C15H19N7O6S3/c1-22-14(19-20-21-22)31-6-8-5-30-12(17-10(8)11(24)25)15(28-2,13(26)27)18-9(23)7-29-4-3-16/h8,12H,4-7H2,1-2H3,(H,18,23)(H,24,25)(H,26,27)/t8-,12-,15-/m1/s1","hydrolysed cefmetazole","2022-05-06","2023-03-03","(2~{R},5~{R})-2-[(1~{S})-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2023-03-08"],["1K8","3-chloranyl-2-piperazin-1-yl-quinoline","C13 H14 Cl N3","Clc1cc2ccccc2nc1N3CCNCC3;c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl","InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2","BDM88855; 153987774","2021-06-13","2021-12-24","3-chloranyl-2-piperazin-1-yl-quinoline","2021-12-29"],["JOV","3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide","C11 H14 Cl N O2","c1ccc(cc1C(NC(C)(CO)C)=O)Cl;CC(C)(CO)NC(=O)c1cccc(Cl)c1;CC(C)(CO)NC(=O)c1cccc(c1)Cl","InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)","","2018-09-12","2018-10-05","3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide","2018-10-10"],["1K9","1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea","C21 H18 F3 N3 O3 S2","FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2c3cscc3)[S](=O)(=O)NC4CC4)c1;c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F","InChI=1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)","","2013-03-04","2013-04-05","1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea","2013-04-10"],["JOW","4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid","C17 H19 N3 O7","OC(=O)CCC(=O)NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1;c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)NC2CC(=O)NC2=O","InChI=1S/C17H19N3O7/c21-13(5-6-15(23)24)18-8-10-1-3-11(4-2-10)9-27-17(26)19-12-7-14(22)20-16(12)25/h1-4,12H,5-9H2,(H,18,21)(H,19,26)(H,23,24)(H,20,22,25)/t12-/m0/s1","","2019-03-14","2019-08-02","4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid","2019-08-07"],["1KA","(2-hydroxyethoxy)acetaldehyde","C4 H8 O3","O=CCOCCO;OCCOCC=O;C(COCC=O)O","InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2","","2012-12-25","2024-09-27","(2-hydroxyethoxy)acetaldehyde","2013-02-15"],["1KC","(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid","C8 H14 O3 S","CSCCC=C[CH](O)CC(O)=O;CSCCC=CC(CC(=O)O)O","InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1","","2013-03-04","2024-09-27","(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid","2014-03-05"],["JOX","2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione","C6 H2 Cl2 O2","ClC1=CC(=O)C=C(Cl)C1=O;C1=C(C(=O)C(=CC1=O)Cl)Cl","InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H","","2022-08-25","2023-06-30","2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione","2023-07-05"],["1KD","1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]","C27 H36 N4 O5 S","CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CN(c1ccccc12)S(C)(=O)=O;CC(C)(N)C(=O)N[CH](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4ccccc34)[S](C)(=O)=O;CC(C)(C(=O)NC(COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N","InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1","","2021-06-22","2021-12-10","1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]","2021-12-15"],["JOY","4-[(1H-pyrazol-1-yl)methyl]benzonitrile","C11 H9 N3","c1cn(nc1)Cc2ccc(C#N)cc2;N#Cc1ccc(Cn2cccn2)cc1;c1cnn(c1)Cc2ccc(cc2)C#N","InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2","","2018-09-12","2018-10-05","4-[(1H-pyrazol-1-yl)methyl]benzonitrile","2018-10-10"],["JOZ","3,4-dihydroisoquinolin-1(2H)-one","C9 H9 N O","O=C2c1c(cccc1)CCN2;O=C1NCCc2ccccc12;c1ccc2c(c1)CCNC2=O","InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)","","2010-07-13","2011-06-04","3,4-dihydroisoquinolin-1(2H)-one",""],["1KE","1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine","C9 H11 Cl I N3","Clc1cc(I)cnc1N2CCNCC2;c1c(cnc(c1Cl)N2CCNCC2)I","InChI=1S/C9H11ClIN3/c10-8-5-7(11)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2","BDM88832","2021-06-13","2021-12-24","1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine","2021-12-29"],["1KF","(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid","C25 H27 F3 N2 O3","C[CH](CCCOc1ccccc1Cn2c(C)cnc2c3ccc(cc3)C(F)(F)F)CC(O)=O;Cc1cnc(n1Cc2ccccc2OCCCC(C)CC(=O)O)c3ccc(cc3)C(F)(F)F","InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1","","2021-07-02","2022-07-01","(3~{R})-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid","2022-07-06"],["JP0","N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea","C24 H22 N4 O3","COc1ccc(cc1)CN(CC1=Nc2ccccc2C(=O)N1)C(=O)Nc1ccccc1;COc1ccc(CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccccc4)cc1;COc1ccc(cc1)CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccccc4","InChI=1S/C24H22N4O3/c1-31-19-13-11-17(12-14-19)15-28(24(30)25-18-7-3-2-4-8-18)16-22-26-21-10-6-5-9-20(21)23(29)27-22/h2-14H,15-16H2,1H3,(H,25,30)(H,26,27,29)","","2022-02-01","2022-10-07","N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea","2022-10-12"],["1KG","(3beta,9beta,22R,25R)-3-hydroxyfurost-5-en-27-yl propanoate","C30 H48 O4","O=C(OCC(C)CCC5OC4C(C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)C4)C)C5C)CC;CCC(=O)OC[CH](C)CC[CH]1O[CH]2C[CH]3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC[C]3(C)[CH]2[CH]1C;CCC(=O)OCC(C)CCC1C(C2C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C","InChI=1S/C30H48O4/c1-6-27(32)33-17-18(2)7-10-25-19(3)28-26(34-25)16-24-22-9-8-20-15-21(31)11-13-29(20,4)23(22)12-14-30(24,28)5/h8,18-19,21-26,28,31H,6-7,9-17H2,1-5H3/t18-,19-,21+,22-,23+,24+,25-,26+,28+,29+,30+/m1/s1","","2013-03-05","2014-03-21","(3beta,9beta,22R,25R)-3-hydroxyfurost-5-en-27-yl propanoate","2014-03-26"],["JP1","N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE","C17 H16 Cl2 N2 O4","O=C(Nc2ccc(Oc1ccc(Cl)cc1O)c(Cl)c2)N3CCOCC3;Oc1cc(Cl)ccc1Oc2ccc(NC(=O)N3CCOCC3)cc2Cl;c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl","InChI=1S/C17H16Cl2N2O4/c18-11-1-3-16(14(22)9-11)25-15-4-2-12(10-13(15)19)20-17(23)21-5-7-24-8-6-21/h1-4,9-10,22H,5-8H2,(H,20,23)","","2005-06-15","2011-06-04","N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide",""],["1KH","arsenoribose","C5 H13 As O8","OC(O)[CH](O)[CH](O)[CH](O)C[As](O)(O)=O;C(C(C(C(C(O)O)O)O)O)[As](=O)(O)O","InChI=1S/C5H13AsO8/c7-2(1-6(12,13)14)3(8)4(9)5(10)11/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4-/m1/s1","","2013-03-05","2013-09-13","[(2S,3R,4R)-2,3,4,5,5-pentakis(oxidanyl)pentyl]arsonic acid","2013-09-18"],["JP2","2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid","C7 H5 N5 O3","O=C(O)c1nc2c(nc1)C(=O)N=C(N)N2;NC1=NC(=O)c2ncc(nc2N1)C(O)=O;c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O","InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)","","2010-12-14","2011-06-17","2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid",""],["I","INOSINIC ACID","C10 H13 N4 O8 P","O=P(O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O","InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1","","1999-07-08","2013-06-19","9-(5-O-phosphono-alpha-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["1KI","2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol","C21 H22 Br F N2 O2 S","CN(CCOCCF)c1cc2sc(C=Cc3ccc(O)c(Br)c3)nc2cc1C;Cc1cc2c(cc1N(C)CCOCCF)sc(n2)C=Cc3ccc(c(c3)Br)O","InChI=1S/C21H22BrFN2O2S/c1-14-11-17-20(13-18(14)25(2)8-10-27-9-7-23)28-21(24-17)6-4-15-3-5-19(26)16(22)12-15/h3-6,11-13,26H,7-10H2,1-2H3/b6-4+","","2022-01-24","2023-01-13","2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol","2023-01-18"],["IG","ISOGUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O8 P","O=C3N=C1C(N=CN1C2OC(C(O)C2O)COP(=O)(O)O)=C(N)N3;NC1=C2N=CN([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C2=NC(=O)N1;C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)N","InChI=1S/C10H14N5O8P/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","2000-11-07","2011-06-04","2-oxoadenosine 5'-(dihydrogen phosphate)",""],["1KJ","N~5~-(N-methoxycarbamimidoyl)-L-ornithine","C7 H16 N4 O3","O=C(O)C(N)CCCNC(=[N@H])NOC;CONC(=N)NCCC[CH](N)C(O)=O;CONC(=N)NCCCC(C(=O)O)N","InChI=1S/C7H16N4O3/c1-14-11-7(9)10-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1","","2012-07-13","2013-05-10","N~5~-(N-methoxycarbamimidoyl)-L-ornithine","2013-05-15"],["1KK","(S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid","C11 H16 N5 O6 P","Nc1ncnc2n(CCCO[CH](C[P](O)(O)=O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CCCOC(CP(=O)(O)O)C(=O)O)N","InChI=1S/C11H16N5O6P/c12-9-8-10(14-5-13-9)16(6-15-8)2-1-3-22-7(11(17)18)4-23(19,20)21/h5-7H,1-4H2,(H,17,18)(H2,12,13,14)(H2,19,20,21)/t7-/m1/s1","","2021-06-14","2021-12-03","(2~{S})-2-[3-(6-aminopurin-9-yl)propoxy]-3-phosphono-propanoic acid","2021-12-08"],["IGF","N,2,5-trimethyl-3-thiophenesulfonamide","C7 H11 N O2 S2","CN[S](=O)(=O)c1cc(C)sc1C;Cc1cc(c(s1)C)S(=O)(=O)NC","InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3","","2016-11-07","2017-12-15","~{N},2,5-trimethylthiophene-3-sulfonamide","2017-12-20"],["1KL","methyl (2Z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate","C24 H23 N3 O4 S","C(C(=O)OC)(C#N)=C1SCC(N1c2ccc(cc2)C(Nc3ccc(cc3)C(C)(C)C)=O)=O;COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(cc2)C(=O)Nc3ccc(cc3)C(C)(C)C;CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)CSC3=C(C#N)C(=O)OC","InChI=1S/C24H23N3O4S/c1-24(2,3)16-7-9-17(10-8-16)26-21(29)15-5-11-18(12-6-15)27-20(28)14-32-22(27)19(13-25)23(30)31-4/h5-12H,14H2,1-4H3,(H,26,29)/b22-19-","","2016-01-15","2016-07-15","methyl (2Z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate","2016-07-20"],["IGI","(4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine","C18 H24 N6","Cn1cc(nc1CCc1nc2c(C)ncc(C)n2n1)C1CCCC1;Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)C4CCCC4;Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)C4CCCC4)C","InChI=1S/C18H24N6/c1-12-10-19-13(2)18-21-16(22-24(12)18)8-9-17-20-15(11-23(17)3)14-6-4-5-7-14/h10-11,14H,4-9H2,1-3H3","","2022-01-25","2022-10-07","(4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["IGJ","9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one","C20 H20 F N7 O","CN1C(=O)N([CH]2CNC[CH]2F)c3nc(Nc4cc5cccnc5cc4C)ncc13;Cc1cc2c(cccn2)cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CNCC5F","InChI=1S/C20H20FN7O/c1-11-6-15-12(4-3-5-23-15)7-14(11)25-19-24-10-17-18(26-19)28(20(29)27(17)2)16-9-22-8-13(16)21/h3-7,10,13,16,22H,8-9H2,1-2H3,(H,24,25,26)/t13-,16-/m1/s1","","2022-03-18","2022-08-22","9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one","2022-07-13"],["1KM","(2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid","C6 H14 N O6 P S","C[CH](O)[CH](SC[CH](N)C(O)=O)[P](O)(O)=O;CC(C(P(=O)(O)O)SCC(C(=O)O)N)O","InChI=1S/C6H14NO6PS/c1-3(8)6(14(11,12)13)15-2-4(7)5(9)10/h3-4,6,8H,2,7H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,6+/m0/s1","","2013-03-05","2013-09-27","(2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid","2013-10-02"],["IGL","ALPHA-AMINO-2-INDANACETIC ACID","C11 H13 N O2","O=C(O)C(N)C2Cc1ccccc1C2;N[CH](C1Cc2ccccc2C1)C(O)=O;c1ccc2c(c1)CC(C2)C(C(=O)O)N","InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1","","1999-07-08","2024-09-27","(2R)-amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid",""],["1KN","(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol","C12 H17 N O3","OC2C(c1ccc(OC)cc1)NC(C)C2O;COc1ccc(cc1)[CH]2N[CH](C)[CH](O)[CH]2O;CC1C(C(C(N1)c2ccc(cc2)OC)O)O","InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1","N-desmethyl-4-epi-(+)-Codonopsinine","2013-03-08","2021-03-01","(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol","2013-09-18"],["1KO","2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide","C18 H19 Cl N6 O","Clc4ccc(c1nc2c(cnc(C(=O)N)n2c1)NC3CCCNC3)cc4;NC(=O)c1ncc(N[CH]2CCCNC2)c3nc(cn13)c4ccc(Cl)cc4;c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)NC4CCCNC4)Cl","InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1","","2013-03-11","2013-04-12","2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide","2013-04-17"],["IGM","2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide","C26 H24 Cl2 N4 O5 S2","O=S(=O)(N1CCOCC1)c2cc(c(Cl)cc2Cl)C(=O)Nc3sc4c(c3C#N)CCN(C4)Cc5ccc(O)cc5;Oc1ccc(CN2CCc3c(C2)sc(NC(=O)c4cc(c(Cl)cc4Cl)[S](=O)(=O)N5CCOCC5)c3C#N)cc1;c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O","InChI=1S/C26H24Cl2N4O5S2/c27-21-12-22(28)24(39(35,36)32-7-9-37-10-8-32)11-19(21)25(34)30-26-20(13-29)18-5-6-31(15-23(18)38-26)14-16-1-3-17(33)4-2-16/h1-4,11-12,33H,5-10,14-15H2,(H,30,34)","","2013-02-05","2014-09-05","2,4-dichloro-N-[3-cyano-6-(4-hydroxybenzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide","2013-07-03"],["IGN","{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID","C21 H38 N6 O4","O=C(N1C(C(=O)NCCCNC(=[N@H])N)CCCC1)C(NCC(=O)O)CC2CCCCC2;NC(=N)NCCCNC(=O)[CH]1CCCCN1C(=O)[CH](CC2CCCCC2)NCC(O)=O;C1CCC(CC1)CC(C(=O)N2CCCCC2C(=O)NCCCNC(=N)N)NCC(=O)O","InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1","INOGATRAN (ASTRA-ZENECA)","2001-10-23","2021-03-01","N-[(1R)-2-{(2S)-2-[(3-carbamimidamidopropyl)carbamoyl]piperidin-1-yl}-1-(cyclohexylmethyl)-2-oxoethyl]glycine",""],["1KP","(3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one","C8 H4 Cl2 N2 O2","Clc1ccc2c(c1Cl)NC(=O)C/2=NO;ON=C1C(=O)Nc2c(Cl)c(Cl)ccc12;c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl","InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)","","2013-03-12","2013-03-22","(3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one","2013-03-27"],["IGO","(4S)-5,6,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","C17 H24 N8","Cn1nc(nc1CCc1nc2c(C)nc(C)c(C)n2n1)N1CCCC1;Cn1nc(nc1CCc2nn3c(C)c(C)nc(C)c3n2)N4CCCC4;Cc1c(n2c(c(n1)C)nc(n2)CCc3nc(nn3C)N4CCCC4)C","InChI=1S/C17H24N8/c1-11-13(3)25-16(12(2)18-11)19-14(21-25)7-8-15-20-17(22-23(15)4)24-9-5-6-10-24/h5-10H2,1-4H3","","2022-01-25","2022-10-07","(4S)-5,6,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["1KQ"," 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone","C29 H32 N6 O S","Cc1sc2nc(CC(=O)N3CCC4(CC3)CN(C4)[CH]5CCc6cc(ccc56)c7cc(C)ncn7)cn2c1;Cc1cc(ncn1)c2ccc3c(c2)CCC3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C","InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1","","2021-07-02","2022-01-14","2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1~{R})-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1~{H}-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone","2022-01-19"],["IGP","INDOLE-3-GLYCEROL PHOSPHATE","C11 H14 N O6 P","O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2;O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O","InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1","","1999-07-08","2011-06-04","(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate",""],["1KR","benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate","C32 H43 N3 O6","O=C(NC3CC3CC(NC(=O)C(NC(=O)OCc1ccccc1)C)CCc2ccccc2)C(O)C(C=O)C(C)CC;CC[CH](C)[CH](C=O)[CH](O)C(=O)N[CH]1C[CH]1C[CH](CCc2ccccc2)NC(=O)[CH](C)NC(=O)OCc3ccccc3;CCC(C)C(C=O)C(C(=O)NC1CC1CC(CCc2ccccc2)NC(=O)C(C)NC(=O)OCc3ccccc3)O","InChI=1S/C32H43N3O6/c1-4-21(2)27(19-36)29(37)31(39)35-28-18-25(28)17-26(16-15-23-11-7-5-8-12-23)34-30(38)22(3)33-32(40)41-20-24-13-9-6-10-14-24/h5-14,19,21-22,25-29,37H,4,15-18,20H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t21-,22-,25+,26+,27-,28-,29+/m0/s1","","2013-03-12","2024-09-27","benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate","2013-04-17"],["1KS","4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide","C26 H24 F4 N6 O","FC(F)(F)c1cc(F)ccc1C(=O)N(C)C5CCN(c4nnc(c2ccnn2C)c3ccccc34)CC5;Cn1nccc1c2nnc(N3CCC(CC3)N(C)C(=O)c4ccc(F)cc4C(F)(F)F)c5ccccc25;Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F","InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3","","2013-03-12","2013-04-19","4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide","2013-04-24"],["IGQ","(7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide","C16 H16 N2 O2","O=C(Nc1noc2CCCCc12)[CH]3Cc4ccccc34;c1ccc2c(c1)CC2C(=O)Nc3c4c(on3)CCCC4","InChI=1S/C16H16N2O2/c19-16(13-9-10-5-1-2-6-11(10)13)17-15-12-7-3-4-8-14(12)20-18-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19)/t13-/m1/s1","","2022-03-18","2023-03-17","(7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide","2023-03-22"],["1KT","1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione","C28 H32 N2 O8","O=C(c1cc(OC)c(OC)c(OC)c1)C(=O)N3C4C5c2c(OC)cc(OC)cc2CCN5C(=O)C3CCC4;COc1cc2CCN3[CH]([CH]4CCC[CH](N4C(=O)C(=O)c5cc(OC)c(OC)c(OC)c5)C3=O)c2c(OC)c1;COc1cc2c(c(c1)OC)C3C4CCCC(N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2","InChI=1S/C28H32N2O8/c1-34-17-11-15-9-10-29-24(23(15)20(14-17)35-2)18-7-6-8-19(27(29)32)30(18)28(33)25(31)16-12-21(36-3)26(38-5)22(13-16)37-4/h11-14,18-19,24H,6-10H2,1-5H3/t18-,19+,24+/m1/s1","","2013-03-12","2013-08-23","1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione","2013-08-28"],["IGS","~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide","C32 H28 F2 N8 O4 S","CCC(=O)NCCCOc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc(c5)c6ccccc6)c4F;CCC(=O)NCCCOc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)c6ccccc6)F","InChI=1S/C32H28F2N8O4S/c1-2-28(43)35-14-7-15-46-32-24-17-22(18-36-31(24)38-39-32)27-19-42(41-37-27)30-25(33)12-13-26(29(30)34)40-47(44,45)23-11-6-10-21(16-23)20-8-4-3-5-9-20/h3-6,8-13,16-19,40H,2,7,14-15H2,1H3,(H,35,43)(H,36,38,39)","","2022-06-30","2024-09-27","~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide","2023-08-09"],["IGT","5-azanyl-3,6-dimethyl-1H-pyrimidine-2,4-dione","C6 H9 N3 O2","CN1C(=O)NC(=C(N)C1=O)C;CC1=C(C(=O)N(C(=O)N1)C)N","InChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)","","2022-03-21","2022-08-22","5-azanyl-3,6-dimethyl-1~{H}-pyrimidine-2,4-dione","2022-03-30"],["1KU","(1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","C25 H29 N3 O6 S2","O=C2N(CCOc1ccc(OC)c(OC)c1)CCC3N(C2CCC3)S(=O)(=O)c4ccc5ncsc5c4;COc1ccc(OCCN2CC[CH]3CCC[CH](N3[S](=O)(=O)c4ccc5ncsc5c4)C2=O)cc1OC;COc1ccc(cc1OC)OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5","InChI=1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3/t17-,21+/m1/s1","","2013-03-12","2013-08-23","(1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2013-08-28"],["IGU","2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","P(=O)(O)(O)OCC1OC(CC1O)N2C=NC3=C(N)NC(=O)N=C23;NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=NC(=O)N1;C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O","InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","1999-07-08","2016-11-16","2'-deoxy-2-oxo-2-hydroadenosine 5'-(dihydrogen phosphate)",""],["1KV","2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide","C22 H33 N3 O5","O=C(NC1CC(OC)CCC1OC)CN2CCN(CC2)Cc3ccc4OCOc4c3;CO[CH]1CC[CH](OC)[CH](C1)NC(=O)CN2CCN(CC2)Cc3ccc4OCOc4c3;COC1CCC(C(C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC","InChI=1S/C22H33N3O5/c1-27-17-4-6-19(28-2)18(12-17)23-22(26)14-25-9-7-24(8-10-25)13-16-3-5-20-21(11-16)30-15-29-20/h3,5,11,17-19H,4,6-10,12-15H2,1-2H3,(H,23,26)/t17-,18+,19+/m1/s1","","2013-03-12","2013-08-23","2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide","2013-08-28"],["IGV","~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide","C33 H28 F2 N8 O4 S","CCC(=O)N1CC[CH](C1)Oc2n[nH]c3ncc(cc23)c4cn(nn4)c5c(F)ccc(N[S](=O)(=O)c6cccc(c6)c7ccccc7)c5F;CCC(=O)N1CCC(C1)Oc2c3cc(cnc3[nH]n2)c4cn(nn4)c5c(ccc(c5F)NS(=O)(=O)c6cccc(c6)c7ccccc7)F","InChI=1S/C33H28F2N8O4S/c1-2-29(44)42-14-13-23(18-42)47-33-25-16-22(17-36-32(25)38-39-33)28-19-43(41-37-28)31-26(34)11-12-27(30(31)35)40-48(45,46)24-10-6-9-21(15-24)20-7-4-3-5-8-20/h3-12,15-17,19,23,40H,2,13-14,18H2,1H3,(H,36,38,39)/t23-/m0/s1","","2022-06-30","2024-09-27","~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide","2023-08-09"],["1KW","ortho-carborane","C2 B10","[B]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[C]%11%12%19[B]%13%14%15[C]%16%17%18%19;B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612","InChI=1S/C2B10/c1-2-3(1)5(1)6(1)4(1,2)8(2)7(2,3)9(3,5)11(5,6)10(4,6,8)12(7,8,9)11","","2021-06-23","2021-07-02","","2021-07-07"],["IGW","N~4~-(2-fluoroethyl)-N~4~,1-dimethyl-N~5~-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C21 H20 F N7 O2","FCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4;Cn1c(c(cn1)C(=O)N(C)CCF)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4","InChI=1S/C21H20FN7O2/c1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,30)","","2022-01-25","2022-10-07","N~4~-(2-fluoroethyl)-N~4~,1-dimethyl-N~5~-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["1KX","{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol","C14 H18 N6 O","n1c(c2ncn(c2nc1N)C3C=CC(CO)C3)NC4CC4;Nc1nc(NC2CC2)c3ncn([CH]4C[CH](CO)C=C4)c3n1;c1nc2c(nc(nc2n1C3CC(C=C3)CO)N)NC4CC4","InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1","Abacavir","2011-12-06","2021-03-01","{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol",""],["IGX","6-methoxy-1H-pyrimidine-2,4-dione","C5 H6 N2 O3","COC1=CC(=O)NC(=O)N1;COC1=CC(=O)NC(=O)N1","InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)","","2022-03-21","2022-08-22","6-methoxy-1~{H}-pyrimidine-2,4-dione","2022-04-06"],["1KY","6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one","C24 H27 N3 O7 S2","O=C2N(CCOc1ccc(OC)c(OC)c1)CC3N(C2CCC3)S(=O)(=O)c5ccc4c(SC(=O)N4)c5;COc1ccc(OCCN2C[CH]3CCC[CH](N3[S](=O)(=O)c4ccc5NC(=O)Sc5c4)C2=O)cc1OC;COc1ccc(cc1OC)OCCN2CC3CCCC(C2=O)N3S(=O)(=O)c4ccc5c(c4)SC(=O)N5","InChI=1S/C24H27N3O7S2/c1-32-20-9-6-16(12-21(20)33-2)34-11-10-26-14-15-4-3-5-19(23(26)28)27(15)36(30,31)17-7-8-18-22(13-17)35-24(29)25-18/h6-9,12-13,15,19H,3-5,10-11,14H2,1-2H3,(H,25,29)/t15-,19+/m1/s1","","2013-03-13","2013-08-23","6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one","2013-08-28"],["IGZ","4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","C22 H24 N6 O2","O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)N[CH]3CCn4cc(nc4C3)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)NC3CCn4cc(nc4C3)c5ccccc5","InChI=1S/C22H24N6O2/c1-26-20(17(13-23-26)22(30)27-9-5-10-27)21(29)24-16-8-11-28-14-18(25-19(28)12-16)15-6-3-2-4-7-15/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,24,29)/t16-/m1/s1","","2022-01-25","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["1KZ","2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate","C23 H26 N2 O8 S2","O=C(OCCOc1ccc(OC)c(OC)c1)C2N(CCCC2)S(=O)(=O)c4ccc3c(SC(=O)N3)c4;COc1ccc(OCCOC(=O)[CH]2CCCCN2[S](=O)(=O)c3ccc4NC(=O)Sc4c3)cc1OC;COc1ccc(cc1OC)OCCOC(=O)C2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4","InChI=1S/C23H26N2O8S2/c1-30-19-9-6-15(13-20(19)31-2)32-11-12-33-22(26)18-5-3-4-10-25(18)35(28,29)16-7-8-17-21(14-16)34-23(27)24-17/h6-9,13-14,18H,3-5,10-12H2,1-2H3,(H,24,27)/t18-/m0/s1","","2013-03-13","2013-08-23","2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate","2013-08-28"],["1L0","4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","C21 H21 F2 N5 O4","CN(C)C(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F;CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O","InChI=1S/C21H21F2N5O4/c1-27(2)16(29)6-3-11-7-14-18(24)17(21(31)28(32)19(14)25-9-11)20(30)26-10-12-4-5-13(22)8-15(12)23/h4-5,7-9,32H,3,6,10,24H2,1-2H3,(H,26,30)","","2021-06-14","2021-08-13","4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","2021-08-18"],["IH0","[(S)-methylsulfinyl]benzene","C7 H8 O S","C[S](=O)c1ccccc1;CS(=O)c1ccccc1","InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1","(S)-methyl phenylsulfoxide","2022-03-21","2023-02-17","[(~{S})-methylsulfinyl]benzene","2023-02-22"],["IH1","2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE","C23 H29 Br N6 O5 S","Brc1ccc(cc1)S(=O)(=O)CCN2C(=O)N4N(C2=O)CC=CC4C(=O)NCC3CCC(C(=[N@H])N)CC3;NC(=N)[CH]1CC[CH](CC1)CNC(=O)[CH]2C=CCN3N2C(=O)N(CC[S](=O)(=O)c4ccc(Br)cc4)C3=O;c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=CC(N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br","InChI=1S/C23H29BrN6O5S/c24-17-7-9-18(10-8-17)36(34,35)13-12-28-22(32)29-11-1-2-19(30(29)23(28)33)21(31)27-14-15-3-5-16(6-4-15)20(25)26/h1-2,7-10,15-16,19H,3-6,11-14H2,(H3,25,26)(H,27,31)/t15-,16-,19-/m0/s1","","1999-10-13","2011-06-04","(5S)-2-{2-[(4-bromophenyl)sulfonyl]ethyl}-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide",""],["1L1","3-cyclohexyl-N-sulfamoyl-D-alanine","C9 H18 N2 O4 S","O=C(O)C(NS(=O)(=O)N)CC1CCCCC1;N[S](=O)(=O)N[CH](CC1CCCCC1)C(O)=O;C1CCC(CC1)CC(C(=O)O)NS(=O)(=O)N","InChI=1S/C9H18N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)(H2,10,14,15)/t8-/m1/s1","","2013-03-13","2013-05-03","3-cyclohexyl-N-sulfamoyl-D-alanine","2013-05-08"],["IH2","2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE","C30 H36 N6 O3","O=C(NCC1CCC(C(=[N@H])N)CC1)C3C=C(CN2C(=O)N(C(=O)N23)CC(c4ccccc4)c5ccccc5)C;CC1=C[CH](N2N(C1)C(=O)N(CC(c3ccccc3)c4ccccc4)C2=O)C(=O)NC[CH]5CC[CH](CC5)C(N)=N;[H]N=C(C1CCC(CC1)CNC(=O)C2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)N","InChI=1S/C30H36N6O3/c1-20-16-26(28(37)33-17-21-12-14-24(15-13-21)27(31)32)36-30(39)34(29(38)35(36)18-20)19-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,16,21,24-26H,12-15,17-19H2,1H3,(H3,31,32)(H,33,37)/t21-,24-,26-/m0/s1","","1999-10-13","2011-06-04","(5S)-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide",""],["1L2","(2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate","C45 H80 O10","O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCC=C/CC=C/CCCCC;CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCC=CCC=CCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC","InChI=1S/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-39,42-46,49-51H,3-10,12,14-16,21-37H2,1-2H3/b13-11-,19-17-,20-18-/t38-,39-,42+,43+,44-,45+/m1/s1","1-linoleoyl,2-oleoyl-3-O-(alpha-D-galactopyranosyl)-sn-glycerol","2009-08-10","2020-06-17","(2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate",""],["IH3","2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE","C31 H35 N7 O3","O=C1N(C(=O)N2N1C(C=C(C)C2)C(=O)NC4CCC(c3cnc(N)n3)CC4)CC(c5ccccc5)c6ccccc6;CC1=C[CH](N2N(C1)C(=O)N(CC(c3ccccc3)c4ccccc4)C2=O)C(=O)N[CH]5CC[CH](CC5)c6[nH]c(N)nc6;CC1=CC(N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N","InChI=1S/C31H35N7O3/c1-20-16-27(28(39)34-24-14-12-23(13-15-24)26-17-33-29(32)35-26)38-31(41)36(30(40)37(38)18-20)19-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-17,23-25,27H,12-15,18-19H2,1H3,(H,34,39)(H3,32,33,35)/t23-,24-,27-/m0/s1","","1999-10-13","2011-06-04","(5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide",""],["1L3","Menaquinone-4","C31 H40 O2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+","vitamin K2","2021-07-02","2022-04-01","2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione","2022-04-06"],["1L4","N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide","C23 H25 F N4 O3 S","O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(c(F)c2)CNCC3)Cc4cccc(C#N)c4;Fc1cc(cc2CCNCc12)[S](=O)(=O)N[CH](Cc3cccc(c3)C#N)C(=O)N4CCCC4;c1cc(cc(c1)C#N)CC(C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4","InChI=1S/C23H25FN4O3S/c24-21-13-19(12-18-6-7-26-15-20(18)21)32(30,31)27-22(23(29)28-8-1-2-9-28)11-16-4-3-5-17(10-16)14-25/h3-5,10,12-13,22,26-27H,1-2,6-9,11,15H2/t22-/m1/s1","","2013-03-13","2013-03-22","N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide","2013-03-27"],["IH4","N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)","C37 H44 N4 O3","O=C(OC)Cc1ccc(cc1)c2ccc(cc2)CN(C(=O)c3ccc(cc3)CCCCC)C5CCN(Cc4nccn4)CC5;CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(CC(=O)OC)cc3)C4CCN(CC4)Cc5[nH]ccn5;CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5","InChI=1S/C37H44N4O3/c1-3-4-5-6-28-7-17-33(18-8-28)37(43)41(34-19-23-40(24-20-34)27-35-38-21-22-39-35)26-30-11-15-32(16-12-30)31-13-9-29(10-14-31)25-36(42)44-2/h7-18,21-22,34H,3-6,19-20,23-27H2,1-2H3,(H,38,39)","","2005-02-08","2011-06-04","methyl [4'-({[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl][(4-pentylphenyl)carbonyl]amino}methyl)biphenyl-4-yl]acetate",""],["IH5","{3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID","C17 H16 Cl2 O4","Clc2cc(cc(Cl)c2Oc1cc(c(O)cc1)C(C)C)CC(=O)O;CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O;CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl","InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)","3,5-DICHLORO-4-[(4-HYDROXY-3-ISOPROPYLPHENOXY)PHENYL]ACETIC ACID","2003-05-05","2021-03-13","{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid",""],["1L5","[(1E)-1-nitroprop-1-en-2-yl]benzene","C9 H9 N O2","CC(=C/[N+]([O-])=O)c1ccccc1;CC(=C[N+]([O-])=O)c1ccccc1;CC(=C[N+](=O)[O-])c1ccccc1","InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+","","2013-03-13","2026-04-03","[(1E)-1-nitroprop-1-en-2-yl]benzene","2013-05-08"],["IH6","(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE","C17 H22 N2 O5 S2","O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c2ccc(OCC#CC)cc2;CC#CCOc1ccc(cc1)[S](=O)(=O)N2CCSC(C)(C)[CH]2C(=O)NO;CC#CCOc1ccc(cc1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C","InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1","","2005-06-15","2011-06-04","(3S)-4-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide",""],["1L6","1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one","C23 H28 N6 O2","O=C1NCC(=Nc2c(nn(c12)CCO)C(C)(C)CC)c4ccc(n3ccnc3C)cc4;CCC(C)(C)c1nn(CCO)c2C(=O)NCC(=Nc12)c3ccc(cc3)n4ccnc4C;CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C","InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)","","2013-03-14","2013-04-26","1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one","2013-05-01"],["IH7","~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide","C28 H24 Br Cl2 N7 O4","C[CH](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N)c5c(Cl)cncc5Cl;CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)c3cn(c4c3nc(c(c4)Br)C=O)CCN5CCOCC5","InChI=1S/C28H24BrCl2N7O4/c1-16(26-20(30)12-33-13-21(26)31)42-24-9-25(34-11-17(24)10-32)36-28(40)18-14-38(3-2-37-4-6-41-7-5-37)23-8-19(29)22(15-39)35-27(18)23/h8-9,11-16H,2-7H2,1H3,(H,34,36,40)/t16-/m1/s1","","2022-06-30","2024-09-27","~{N}-[4-[1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide","2022-11-16"],["1L7","(2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide","C16 H13 N3 O","N#C/C(C(=O)NCc1ccccc1)=Cc2ccncc2;O=C(NCc1ccccc1)C(=Cc2ccncc2)C#N;c1ccc(cc1)CNC(=O)C(=Cc2ccncc2)C#N","InChI=1S/C16H13N3O/c17-11-15(10-13-6-8-18-9-7-13)16(20)19-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,20)/b15-10+","","2013-03-14","2013-04-19","(2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide","2013-04-24"],["IH8","6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H20 N8 O","Cn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ncccc1;Cn1nc(cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c5ccccn5;Cn1c(cc(n1)c2ccccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C22H20N8O/c1-30-20(10-19(29-30)17-4-2-3-9-25-17)28-22(31)21-18(26-15-11-23-13-24-12-15)8-7-16(27-21)14-5-6-14/h2-4,7-14,26H,5-6H2,1H3,(H,28,31)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["1L8","8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide","C23 H25 F4 N3 O3 S","O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(c(F)c2)CNCC3)Cc4cccc(c4)C(F)(F)F;Fc1cc(cc2CCNCc12)[S](=O)(=O)N[CH](Cc3cccc(c3)C(F)(F)F)C(=O)N4CCCC4;c1cc(cc(c1)C(F)(F)F)CC(C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4","InChI=1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1","","2013-03-15","2013-04-12","8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide","2013-04-17"],["1L9","N-[(2S,3S,4R)-1-({6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","C57 H103 Cl N2 O10","Clc1ccc(cc1)NC(=O)OCC2OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C2O;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](COC(=O)Nc2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C57H103ClN2O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-51(62)60-48(52(63)49(61)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-68-56-55(66)54(65)53(64)50(70-56)45-69-57(67)59-47-42-40-46(58)41-43-47/h40-43,48-50,52-56,61,63-66H,3-39,44-45H2,1-2H3,(H,59,67)(H,60,62)/t48-,49+,50+,52-,53-,54-,55+,56-/m0/s1","","2013-03-15","2013-08-23","N-[(2S,3S,4R)-1-({6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide","2013-08-28"],["IH9","2-[(3-hydroxybenzyl)amino]ethanesulfonic acid","C9 H13 N O4 S","O=S(=O)(O)CCNCc1cc(O)ccc1;Oc1cccc(CNCC[S](O)(=O)=O)c1;c1cc(cc(c1)O)CNCCS(=O)(=O)O","InChI=1S/C9H13NO4S/c11-9-3-1-2-8(6-9)7-10-4-5-15(12,13)14/h1-3,6,10-11H,4-5,7H2,(H,12,13,14)","","2012-06-29","2012-10-26","2-[(3-hydroxybenzyl)amino]ethanesulfonic acid","2012-10-26"],["1LA","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(pyridin-4-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","C56 H103 N3 O10","O=C(OCC1OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C1O)Nc2ccncc2;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](COC(=O)Nc2ccncc2)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC(=O)Nc2ccncc2)O)O)O)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C56H103N3O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-50(61)59-47(51(62)48(60)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-67-55-54(65)53(64)52(63)49(69-55)45-68-56(66)58-46-40-42-57-43-41-46/h40-43,47-49,51-55,60,62-65H,3-39,44-45H2,1-2H3,(H,59,61)(H,57,58,66)/t47-,48+,49+,51-,52-,53-,54+,55-/m0/s1","","2013-03-15","2013-08-30","N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(pyridin-4-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide","2013-09-04"],["IHA","{[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid","C21 H19 N5 O5 S","O=C(O)COc1cc2nc(sc2cc1)CNc4nc(c3c(OC)cccc3OC)cnn4;COc1cccc(OC)c1c2cnnc(NCc3sc4ccc(OCC(O)=O)cc4n3)n2;COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC","InChI=1S/C21H19N5O5S/c1-29-15-4-3-5-16(30-2)20(15)14-9-23-26-21(25-14)22-10-18-24-13-8-12(31-11-19(27)28)6-7-17(13)32-18/h3-9H,10-11H2,1-2H3,(H,27,28)(H,22,25,26)","","2012-03-26","2012-12-21","{[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid","2012-12-21"],["IHB","3-IODO-4-HYDROXYBENZOIC ACID","C7 H5 I O3","Ic1cc(C(=O)O)ccc1O;OC(=O)c1ccc(O)c(I)c1;c1cc(c(cc1C(=O)O)I)O","InChI=1S/C7H5IO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)","","1999-07-08","2011-06-04","4-hydroxy-3-iodobenzoic acid",""],["1LB","(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide","C11 H10 N4 O","N#CC(C(=O)N)Cc1cc2c(cc1)nnc2;NC(=O)[CH](Cc1ccc2[nH]ncc2c1)C#N;c1cc2c(cc1CC(C#N)C(=O)N)cn[nH]2","InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1","","2013-03-18","2024-09-27","(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide","2013-04-10"],["IHC","{[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid","C19 H13 Cl2 N5 O3 S","Clc1cccc(Cl)c1c2nc(nnc2)NCc3nc4cc(OCC(=O)O)ccc4s3;OC(=O)COc1ccc2sc(CNc3nncc(n3)c4c(Cl)cccc4Cl)nc2c1;c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl","InChI=1S/C19H13Cl2N5O3S/c20-11-2-1-3-12(21)18(11)14-7-23-26-19(25-14)22-8-16-24-13-6-10(29-9-17(27)28)4-5-15(13)30-16/h1-7H,8-9H2,(H,27,28)(H,22,25,26)","","2012-03-26","2012-12-21","{[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid","2012-12-21"],["1LC","(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide","C18 H14 N4 O2","N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3;NC(=O)[CH](Cc1cccc(c1)C(=O)c2c[nH]c3ncccc23)C#N;c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)CC(C#N)C(=O)N","InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1","","2013-03-18","2024-09-27","(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide","2013-04-10"],["IHD","1-IODOHEXADECANE","C16 H33 I","ICCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCI;CCCCCCCCCCCCCCCCI","InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3","","2007-03-28","2011-06-04","1-iodohexadecane",""],["1LD","5-fluorocytosine","C4 H4 F N3 O","FC1=CNC(=O)N=C1N;NC1=NC(=O)NC=C1F;C1=C(C(=NC(=O)N1)N)F","InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)","4-amino-5-fluoropyrimidin-2(1H)-one","2013-03-18","2021-03-01","4-amino-5-fluoropyrimidin-2(1H)-one","2014-03-19"],["IHE","6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE","C19 H28 N8","N#Cc2nc1n(cnc1c(n2)NC3CCCCC3)CCN4CCN(CC4)C;CN1CCN(CC1)CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N;CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N","InChI=1S/C19H28N8/c1-25-7-9-26(10-8-25)11-12-27-14-21-17-18(22-15-5-3-2-4-6-15)23-16(13-20)24-19(17)27/h14-15H,2-12H2,1H3,(H,22,23,24)","NVP-ABE854","2004-08-18","2024-09-27","6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]-9H-purine-2-carbonitrile",""],["1LE","(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide","C24 H28 N4 O5","N#CC(C(=O)NC(C)(C)CO)Cc1cc2c(cc1)nnc2c3cc(OC)c(OC)c(OC)c3;COc1cc(cc(OC)c1OC)c2n[nH]c3ccc(C[CH](C#N)C(=O)NC(C)(C)CO)cc23;CC(C)(CO)NC(=O)C(Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N","InChI=1S/C24H28N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-7,9-11,16,29H,8,13H2,1-5H3,(H,26,30)(H,27,28)/t16-/m0/s1","","2013-03-18","2024-09-27","(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide","2013-04-10"],["IHF","5-azanyl-6-ethyl-1H-pyrimidine-2,4-dione","C6 H9 N3 O2","CCC1=C(N)C(=O)NC(=O)N1;CCC1=C(C(=O)NC(=O)N1)N","InChI=1S/C6H9N3O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2,7H2,1H3,(H2,8,9,10,11)","","2022-03-21","2022-08-22","5-azanyl-6-ethyl-1~{H}-pyrimidine-2,4-dione","2022-03-30"],["1LF","1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide","C19 H23 F3 N6 O","FC(F)(F)c1ccccc1CNC(=O)C3CCN(c2nc(nc(n2)C)NC)CC3;CNc1nc(C)nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F;Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC","InChI=1S/C19H23F3N6O/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)","","2013-03-19","2013-05-31","1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide","2013-06-05"],["IHG","N-ISOPROPYL-N'-HYDROXYGUANIDINE","C4 H11 N3 O","[N@H]=C(NC(C)C)NO;CC(C)NC(=N)NO;CC(C)NC(=N)NO","InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7)","","2002-06-25","2011-06-04","1-hydroxy-3-(1-methylethyl)guanidine",""],["1LG","2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE","C20 H19 Cl2 N3 O4 S2","O=S(=O)(N1CCOCC1)c2cc(c(Cl)cc2Cl)C(=O)Nc3sc4c(c3C#N)CCCC4;Clc1cc(Cl)c(cc1C(=O)Nc2sc3CCCCc3c2C#N)[S](=O)(=O)N4CCOCC4;c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N","InChI=1S/C20H19Cl2N3O4S2/c21-15-10-16(22)18(31(27,28)25-5-7-29-8-6-25)9-13(15)19(26)24-20-14(11-23)12-3-1-2-4-17(12)30-20/h9-10H,1-8H2,(H,24,26)","","2005-09-15","2011-06-04","2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide",""],["IHH","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile","C22 H19 N7","N#CCc1ccc(cc1)Nc3nc2c(cccc2)c(n3)Nc4nnc(c4)C5CC5;N#CCc1ccc(Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2)cc1;c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5","InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29)","","2008-12-02","2011-06-04","[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile",""],["1LH","(2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium","C21 H29 Cl F N3 O2","Clc2ccc(c(F)c2Oc1ccccc1)C([NH2+]C(C)CC(=O)NCC[NH3+])CC;CC[CH]([NH2+][CH](C)CC(=O)NCC[NH3+])c1ccc(Cl)c(Oc2ccccc2)c1F;CCC(c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+]C(C)CC(=O)NCC[NH3+]","InChI=1S/C21H27ClFN3O2/c1-3-18(26-14(2)13-19(27)25-12-11-24)16-9-10-17(22)21(20(16)23)28-15-7-5-4-6-8-15/h4-10,14,18,26H,3,11-13,24H2,1-2H3,(H,25,27)/p+2/t14-,18+/m0/s1","","2012-08-16","2012-09-28","(2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium","2012-09-28"],["IHI","9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE","C23 H24 N8 O","N#Cc3nc1c(ncn1C2CCCC2)c(n3)Nc5ccccc5OCCCn4ccnc4;N#Cc1nc(Nc2ccccc2OCCCn3ccnc3)c4ncn(C5CCCC5)c4n1;c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5","InChI=1S/C23H24N8O/c24-14-20-28-22(21-23(29-20)31(16-26-21)17-6-1-2-7-17)27-18-8-3-4-9-19(18)32-13-5-11-30-12-10-25-15-30/h3-4,8-10,12,15-17H,1-2,5-7,11,13H2,(H,27,28,29)","NVP-ABI491","2004-08-18","2024-09-27","9-cyclopentyl-6-({2-[3-(1H-imidazol-1-yl)propoxy]phenyl}amino)-9H-purine-2-carbonitrile",""],["1LI","N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide","C28 H38 F2 N2 O2","Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC3(c2cccc(c2)C(C)(C)C)CCCCC3;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)CNC2(CCCCC2)c3cccc(c3)C(C)(C)C;CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O","InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1","","2009-09-22","2011-06-04","N-[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide",""],["IHJ","9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE","C25 H32 N8 O","N#Cc3nc1c(ncn1C2CCCC2)c(n3)Nc5ccccc5OCCCN4CCN(CC4)C;CN1CCN(CCCOc2ccccc2Nc3nc(nc4n(cnc34)C5CCCC5)C#N)CC1;CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5","InChI=1S/C25H32N8O/c1-31-12-14-32(15-13-31)11-6-16-34-21-10-5-4-9-20(21)28-24-23-25(30-22(17-26)29-24)33(18-27-23)19-7-2-3-8-19/h4-5,9-10,18-19H,2-3,6-8,11-16H2,1H3,(H,28,29,30)","NVP-ABJ688","2004-08-18","2024-09-27","9-cyclopentyl-6-({2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)-9H-purine-2-carbonitrile",""],["1LJ","1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea","C19 H18 N4 O3 S","O=S(=O)(c1ccccc1)c2ccc(cc2)NC(=O)NCc3cnc(N)cc3;Nc1ccc(CNC(=O)Nc2ccc(cc2)[S](=O)(=O)c3ccccc3)cn1;c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N","InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)","","2013-03-19","2013-05-24","1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea","2013-05-29"],["IHL","(4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine","C16 H18 F3 N7","FC(F)(F)c1cn2nc(nc2cc1)CCc1nc(nn1C)N1CCCC1;Cn1nc(nc1CCc2nn3cc(ccc3n2)C(F)(F)F)N4CCCC4;Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc(cn4n3)C(F)(F)F","InChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-8-2-3-9-25)7-5-12-20-14-6-4-11(16(17,18)19)10-26(14)22-12/h4,6,10H,2-3,5,7-9H2,1H3","","2022-01-25","2022-10-07","(4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine","2022-10-12"],["1LK","1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol","C5 H11 F O9 P2","OC1C(COP(=O)(O)OP(=O)(O)O)OCC1F;O[CH]1[CH](F)CO[CH]1CO[P](O)(=O)O[P](O)(O)=O;C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)F","InChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1","","2021-06-23","2022-03-18","1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol","2022-03-23"],["IHM","N-(3-{1-[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide","C29 H28 F2 N4 O4","FC(F)Oc2ccc(cc2OCC1CC1)C(n3nc(cc3)c4cccc(NC(=O)C)c4)Cc5cc[n+]([O-])cc5;CC(=O)Nc1cccc(c1)c2ccn(n2)[CH](Cc3cc[n+]([O-])cc3)c4ccc(OC(F)F)c(OCC5CC5)c4;CC(=O)Nc1cccc(c1)c2ccn(n2)C(Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F","InChI=1S/C29H28F2N4O4/c1-19(36)32-24-4-2-3-22(16-24)25-11-14-35(33-25)26(15-20-9-12-34(37)13-10-20)23-7-8-27(39-29(30)31)28(17-23)38-18-21-5-6-21/h2-4,7-14,16-17,21,26,29H,5-6,15,18H2,1H3,(H,32,36)/t26-/m0/s1","","2011-12-28","2012-01-13","N-(3-{1-[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide",""],["1LL","thioditaloside","C12 H22 O10 S","O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO;OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O)O)O)O)O)O","InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11+,12+/m1/s1","beta-D-talopyranosyl 1-thio-beta-D-talopyranoside","2013-03-19","2020-07-17","beta-D-talopyranosyl 1-thio-beta-D-talopyranoside","2013-07-31"],["IHP","INOSITOL HEXAKISPHOSPHATE","C6 H18 O24 P6","C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O;O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-","MYO-INOSITOL HEXAKISPHOSPHATE; INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE","1999-07-08","2020-09-23","(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]",""],["1LM","quinolin-4-amine","C9 H8 N2","n1ccc(c2ccccc12)N;Nc1ccnc2ccccc12;c1ccc2c(c1)c(ccn2)N","InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)","","2013-03-21","2013-07-26","quinolin-4-amine","2013-07-31"],["IHQ","2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one","C16 H20 I N O2","CCCCCCCC1=C(I)C(=O)c2ccccc2N1O;CCCCCCCC1=C(C(=O)c2ccccc2N1O)I","InChI=1S/C16H20INO2/c1-2-3-4-5-6-11-14-15(17)16(19)12-9-7-8-10-13(12)18(14)20/h7-10,20H,2-6,11H2,1H3","","2019-09-06","2020-01-10","2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one","2020-01-15"],["1LN","2-(2-aminopyridin-1-ium-1-yl)ethanol","C7 H11 N2 O","Nc1ccccn1CCO;C1=CC=[N](C(=C1)N)CCO","InChI=1S/C7H11N2O/c8-7-3-1-2-4-9(7)5-6-10/h1-4,10H,5-6,8H2","","2013-03-21","2013-07-26","2-(2-azanylpyridin-1-yl)ethanol","2013-07-31"],["IHR","~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C9 H11 N5","Cc1[nH]nc2c(NC3CC3)ncnc12;Cc1c2c(c(ncn2)NC3CC3)n[nH]1","InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)","","2022-03-21","2022-08-22","~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2022-03-30"],["1LP","TRANYLCYPROMINE","C9 H10 O","O=CC(c1ccccc1)C;C[CH](C=O)c1ccccc1;CC(C=O)c1ccccc1","InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1","(2S)-2-PHENYLPROPANAL","2003-07-08","2021-03-01","(2S)-2-phenylpropanal",""],["IHS","D-MYO-INOSITOL-HEXASULPHATE","C6 H12 O24 S6","O=S(=O)(O)OC1C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O;O[S](=O)(=O)O[CH]1[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O;C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O","InChI=1S/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t1-,2-,3-,4+,5-,6-","","2002-05-23","2011-06-04","(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis(hydrogen sulfate)",""],["1LQ","quinazolin-4-amine","C8 H7 N3","n2c1c(cccc1)c(nc2)N;Nc1ncnc2ccccc12;c1ccc2c(c1)c(ncn2)N","InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)","","2013-03-21","2013-07-26","quinazolin-4-amine","2013-07-31"],["1LR","3-(benzoylamino)-2-hydroxybenzoic acid","C14 H11 N O4","O=C(O)c2cccc(NC(=O)c1ccccc1)c2O;OC(=O)c1cccc(NC(=O)c2ccccc2)c1O;c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O","InChI=1S/C14H11NO4/c16-12-10(14(18)19)7-4-8-11(12)15-13(17)9-5-2-1-3-6-9/h1-8,16H,(H,15,17)(H,18,19)","","2013-03-21","2014-03-28","3-(benzoylamino)-2-hydroxybenzoic acid","2014-04-02"],["IHT","(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol","C40 H54 O","CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23,25,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1","Allobetaxanthin","2022-07-01","2023-04-19","(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol","2023-04-12"],["IHU","N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA","C15 H12 Cl F N2 O4","O=C(c1ccc(F)cc1Cl)NC(=O)Nc2cc(O)ccc2OC;COc1ccc(O)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl;COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O","InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)","1-(2-CHLORO-4-FLUORO-BENZOYL)-3-(5-HYDROXY-2-METHOXY-PHENYL)-UREA","2005-08-29","2021-03-01","2-chloro-4-fluoro-N-[(5-hydroxy-2-methoxyphenyl)carbamoyl]benzamide",""],["1LS","1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea","C18 H22 N4 O2 S2","O=S(=O)(c2ccc(NC(=S)NCc1cccnc1)cc2)N3CCCCC3;O=[S](=O)(N1CCCCC1)c2ccc(NC(=S)NCc3cccnc3)cc2;c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3","InChI=1S/C18H22N4O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-16(7-9-17)21-18(25)20-14-15-5-4-10-19-13-15/h4-10,13H,1-3,11-12,14H2,(H2,20,21,25)","","2013-03-21","2013-05-03","1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea","2013-05-08"],["IHV","2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine","C19 H22 N4","Cn1cc(nc1CCc1nc(C)c(C)nc1C)c1ccccc1;Cn1cc(nc1CCc2nc(C)c(C)nc2C)c3ccccc3;Cc1c(nc(c(n1)C)CCc2nc(cn2C)c3ccccc3)C","InChI=1S/C19H22N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,12H,10-11H2,1-4H3","","2022-01-25","2025-07-25","2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine","2022-10-12"],["1LT","(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide","C19 H22 F3 N5 O2 S","O=C(Nc1nc(c(s1)c2ccnc(c2)C(C)(C)C(F)(F)F)C)N3C(C(=O)N)CCC3;Cc1nc(NC(=O)N2CCC[CH]2C(N)=O)sc1c3ccnc(c3)C(C)(C)C(F)(F)F;Cc1c(sc(n1)NC(=O)N2CCCC2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F","InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1","Alpelisib","2013-03-22","2022-09-30","(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide","2014-04-02"],["IHW","tungstate cluster","O58 W16","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]2O[W]345O[W]16(O[W]78O[W]9%10(O7)O[W]%11%12%13O[W]%14%15O[W]%16%17%18O[W](O8)(O%11)(O%12)O[W]%19(O6)(O%16)O[W]%20(O3)(O[W](O%14)(O%17)(O%18)O[W]%21%22(O[W]%23(O2)(O4)O[W](O%23)(O9)(O%10)O[W](O%15)(O%13)(O%21)O%22)O%20)O%19)O5;[O][W]123(O[W]456(O[W]789(O[W]%10%11(O7)(O[W]7%12%13(O[W]%14%15(O7)(O[W](O4)(O5)(O[W]45(O%14)(O[W]7(O6)(O8)(O4[W](O%10)(O%12)(O7)(O5)[O])[O])[O])(O[W]4(O1)(O2)(O[W]12(O%15)(O4[W]45(O[W]6(O3)(O9)(O[W](O%11)(O6)(O4)(O[W](O%13)(O5)(O1)(O2)[O])[O])[O])([O])([O])[O])([O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/20H2O.38O.16W/h20*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;13*+1;2*+2;+3/p-20","","2022-03-21","2022-08-22","","2022-07-13"],["1LU","(2S)-2-hydroxy-4-methyl-pentanoic acid","C6 H12 O3","O=C(O)C(O)CC(C)C;CC(C)C[CH](O)C(O)=O;CC(C)CC(C(=O)O)O","InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1","","2000-01-21","2024-09-27","(2S)-2-hydroxy-4-methylpentanoic acid",""],["IHX","3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol","C20 H19 F3 N4 O","FC(F)(F)c3cc1ncc(nc1c(c2cccc(O)c2)c3)N4CCN(C)CC4;CN1CCN(CC1)c2cnc3cc(cc(c4cccc(O)c4)c3n2)C(F)(F)F;CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F","InChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3","","2008-11-14","2011-06-04","3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol",""],["1LW","5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine","C11 H12 N2 S","n1c3c(c(c2c1scc2)N)CCCC3;Nc1c2CCCCc2nc3sccc13;c1csc2c1c(c3c(n2)CCCC3)N","InChI=1S/C11H12N2S/c12-10-7-3-1-2-4-9(7)13-11-8(10)5-6-14-11/h5-6H,1-4H2,(H2,12,13)","","2013-03-24","2013-04-26","5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine","2013-05-01"],["IHZ","5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide","C21 H17 F3 N4 O2","FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)Nc3cc(cnc3)C(=O)N;Cc1ccc(cc1Nc2cncc(c2)C(N)=O)C(=O)Nc3cccc(c3)C(F)(F)F;Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F","InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)","","2008-06-27","2011-06-04","5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide",""],["1LX","imidazo[1,2-a]pyridin-5-amine","C7 H7 N3","n1ccn2c(cccc12)N;Nc1cccc2nccn12;c1cc(n2ccnc2c1)N","InChI=1S/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,8H2","","2013-03-24","2013-04-26","imidazo[1,2-a]pyridin-5-amine","2013-05-01"],["II0","(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol","C40 H52 O2","CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C#CC2=C(C)C[CH](O)CC2(C)C;CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(CC(CC2(C)C)O)C)C)C","InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1","Alloxanthin","2022-07-01","2023-04-19","(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol","2023-04-12"],["1LY","imidazo[1,2-a]pyridin-6-amine","C7 H7 N3","n1ccn2cc(ccc12)N;Nc1ccc2nccn2c1;c1cc2nccn2cc1N","InChI=1S/C7H7N3/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H,8H2","","2013-03-25","2013-04-26","imidazo[1,2-a]pyridin-6-amine","2013-05-01"],["II1","Aspergillomarasmine A","C10 H17 N3 O8","NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O;N[CH](CN[CH](CN[CH](CC(O)=O)C(O)=O)C(O)=O)C(O)=O;C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O","InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5-,6-/m0/s1","N-[(2S)-2-{[(2S)-2-amino-2-carboxyethyl]amino}-2-carboxyethyl]-L-aspartic acid","2023-05-04","2024-04-05","N-[(2S)-2-{[(2S)-2-amino-2-carboxyethyl]amino}-2-carboxyethyl]-L-aspartic acid","2024-04-10"],["1LZ","1H-pyrrolo[3,2-b]pyridin-6-ylmethanol","C8 H8 N2 O","n1cc(cc2c1ccn2)CO;OCc1cnc2cc[nH]c2c1;c1c[nH]c2c1ncc(c2)CO","InChI=1S/C8H8N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-4,9,11H,5H2","","2013-03-25","2013-04-26","1H-pyrrolo[3,2-b]pyridin-6-ylmethanol","2013-05-01"],["II2","5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE","C20 H15 N3 O2 S","O=C2c1ccc(cc1C(=O)N2c4ccc(Sc3ccc(N)cc3)cc4)N;Nc1ccc(Sc2ccc(cc2)N3C(=O)c4ccc(N)cc4C3=O)cc1;c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N","InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2","","2009-05-01","2011-06-04","5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione",""],["1M0","1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole","C38 H32 N4 O","n2c1ccccc1n(c2c6ccc(OCC(n4c5ccccc5nc4c3ccccc3)CC=C)cc6)Cc7ccccc7;C=CC[CH](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7;C=CCC(COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7","InChI=1S/C38H32N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h2-12,14-25,31H,1,13,26-27H2/t31-/m1/s1","","2013-03-26","2013-05-17","1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole","2013-05-22"],["II3","(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol","C40 H54 O2","CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C;CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C","InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1","Monadoxanthin","2022-07-01","2023-04-19","(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol","2023-04-12"],["1M1","(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline","C19 H14 N4","n2c1c(cccc1)n4c2c5c(NC4c3ncccc3)cccc5;N1[CH](n2c3ccccc3nc2c4ccccc14)c5ccccn5;c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccccn5","InChI=1S/C19H14N4/c1-2-8-14-13(7-1)18-22-15-9-3-4-11-17(15)23(18)19(21-14)16-10-5-6-12-20-16/h1-12,19,21H/t19-/m1/s1","","2013-03-26","2013-05-17","(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline","2013-05-22"],["II4","1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE","C14 H13 N3","n2c1cc(ccc1n(c2)c3cc(ccc3)C)N;Cc1cccc(c1)n2cnc3cc(N)ccc23;Cc1cccc(c1)n2cnc3c2ccc(c3)N","InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3","","2009-05-04","2011-06-04","1-(3-methylphenyl)-1H-benzimidazol-5-amine",""],["1M2","N-methyl-1H-benzimidazol-2-amine","C8 H9 N3","n2c1ccccc1nc2NC;CNc1[nH]c2ccccc2n1;CNc1[nH]c2ccccc2n1","InChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,9,10,11)","","2013-03-26","2013-04-26","N-methyl-1H-benzimidazol-2-amine","2013-05-01"],["II5","6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C21 H24 N8 O3","COCCn1ncc(NC(=O)c2nc(ccc2Nc2cncnc2)C2CC2)c1C(=O)NC;CNC(=O)c1n(CCOC)ncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4;CNC(=O)c1c(cnn1CCOC)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4","InChI=1S/C21H24N8O3/c1-22-21(31)19-17(11-25-29(19)7-8-32-2)28-20(30)18-16(26-14-9-23-12-24-10-14)6-5-15(27-18)13-3-4-13/h5-6,9-13,26H,3-4,7-8H2,1-2H3,(H,22,31)(H,28,30)","","2022-01-25","2022-10-07","6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["1M3","N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide","C26 H35 N7 O2 S","O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc3ccc(cc3)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C)n3)cc2;Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C","InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)","","2013-03-26","2013-08-02","N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide","2013-08-07"],["II6","[(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol","C9 H19 N O","C[CH]1C[CH](CN)C[CH](CO)C1;CC1CC(CC(C1)CO)CN","InChI=1S/C9H19NO/c1-7-2-8(5-10)4-9(3-7)6-11/h7-9,11H,2-6,10H2,1H3/t7-,8+,9-/m1/s1","","2015-03-08","2015-05-08","[(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol","2015-05-13"],["1M4","(4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one","C14 H16 Br N3 O2","Brc3ccc2OC(CC1(N=C(N(C1=O)C)N)c2c3)(C)C;CN1C(=N[C]2(CC(C)(C)Oc3ccc(Br)cc23)C1=O)N;CC1(CC2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C","InChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17)/t14-/m1/s1","","2013-03-26","2013-04-05","(4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one","2013-04-10"],["II7","cis-3-aminocyclobutane carboxylic acid","C5 H9 N O2","N[CH]1C[CH](C1)C(O)=O;C1C(CC1N)C(=O)O","InChI=1S/C5H9NO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+","3-azanylcyclobutane-1-carboxylic acid","2022-03-21","2024-09-27","3-azanylcyclobutane-1-carboxylic acid","2023-03-22"],["1M5","(4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one","C20 H20 Cl N3 O2","Clc1cccc(c1)c4ccc3OC(CC2(N=C(N(C2=O)C)N)c3c4)(C)C;CN1C(=N[C]2(CC(C)(C)Oc3ccc(cc23)c4cccc(Cl)c4)C1=O)N;CC1(CC2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C","InChI=1S/C20H20ClN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23)/t20-/m1/s1","","2013-03-26","2013-04-05","(4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one","2013-04-10"],["II9","N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide","C22 H19 N5 O2","Cc1cccc(n1)C(=O)Nc1cc2[NH]c(nc2cc1C(=O)NC)c1ccccc1;CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4;Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4","InChI=1S/C22H19N5O2/c1-13-7-6-10-16(24-13)22(29)27-17-12-19-18(11-15(17)21(28)23-2)25-20(26-19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,28)(H,25,26)(H,27,29)","","2022-01-25","2022-10-07","N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide","2022-10-12"],["A1H0A","4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide","C9 H20 B N2 O5","N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O;[B-](CCCCC1(CC(CN1)N)C(=O)O)(O)(O)O","InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1","","2023-12-14","2024-11-29","4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide","2024-12-04"],["IIA","1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE","C25 H27 Cl N4 O2 S","Clc5sc(c1onc(c1)Cn4c2ccccc2cc4C(=O)NC3CCN(C(C)C)CC3)cc5;CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5sc(Cl)cc5;CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl","InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)","","2005-04-11","2011-06-04","1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide",""],["A1H0B","(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid","C8 H16 B N O4","OB(O)CCC[CH]1CCN[CH]1C(O)=O;B(CCCC1CCNC1C(=O)O)(O)O","InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1","","2023-12-14","2024-11-29","(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid","2024-12-04"],["A1H0C","4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid","C19 H14 Cl N O4","OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc3ccccc23;c1ccc2c(c1)cccc2OCC(=O)Nc3cc(ccc3C(=O)O)Cl","InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)","","2023-12-15","2024-12-13","4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid","2024-12-18"],["IIB","1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE","C27 H28 Cl N5 O2 S","Clc5sc(c1onc(c1)Cn4c2c(cccc2c(C#N)c4C(=O)NC3CCN(C(C)C)CC3)C)cc5;CC(C)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)c4sc(Cl)cc4)c5c(C)cccc5c2C#N;Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl","InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34)","1-[5-(5-CHLORO-THIOPHEN-2-YL)-ISOXAZOL-3-YLMETHYL]-3-CYANO-7-METHYL-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN-4-YL)-AMIDE","2005-04-27","2021-03-01","1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-3-cyano-7-methyl-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide",""],["IIC","4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHORE","C11 H15 N5 O4","O=C1C(=NC(N1CC(=O)O)C(N)CO)Cc2cncn2;N[CH](CO)[CH]1N=C(Cc2[nH]cnc2)C(=O)N1CC(O)=O;c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)C(CO)N","InChI=1S/C11H15N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7,10,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,10-/m0/s1","","1999-07-08","2024-09-27","[(2S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid",""],["A1H0F","(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol","C5 H8 F2 O3","OC[CH]1OCC(F)(F)[CH]1O;C1C(C(C(O1)CO)O)(F)F","InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1","","2023-12-15","2024-09-27","(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol","2024-02-21"],["IID","N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE","C25 H31 N3 O2","O=C(NC1CCN(C(C)C)CC1)c3cc2ccccc2n3Cc4cccc(OC)c4;COc1cccc(Cn2c(cc3ccccc23)C(=O)NC4CCN(CC4)C(C)C)c1;CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC","InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)","1-(3-METHOXY-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN- 4-YL)-AMIDE","2005-04-27","2021-03-01","1-(3-methoxybenzyl)-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide",""],["IIE","1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE","C25 H29 Cl N4 O2","Clc1ccc(cc1)NC(=O)Cn2c4ccccc4cc2C(=O)NC3CCN(C(C)C)CC3;CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(Cl)cc4;CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl","InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)","","2005-04-28","2011-06-04","1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide",""],["IIG","N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide","C22 H28 F3 N O3","FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C3CCC(O)(C2CC2)CC3)C4CC4)C;C[C](O)(c1ccc(cc1)C(=O)N(C2CC2)[CH]3CC[C](O)(CC3)C4CC4)C(F)(F)F;CC(c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O","InChI=1S/C22H28F3NO3/c1-20(28,22(23,24)25)15-4-2-14(3-5-15)19(27)26(17-8-9-17)18-10-12-21(29,13-11-18)16-6-7-16/h2-5,16-18,28-29H,6-13H2,1H3/t18-,20-,21+/m0/s1","","2008-12-10","2011-06-04","N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",""],["IIH","4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol","C13 H6 Cl I2 N O2","Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O;Oc1c(I)cc(cc1I)c2oc3c(Cl)cccc3n2;c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I","InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H","2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole","2010-04-19","2020-06-17","4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol","2017-06-28"],["III","~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine","C14 H18 N4","CN(C)c1nc(nc2ccccc12)N3CCCC3;CN(C)c1c2ccccc2nc(n1)N3CCCC3","InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3","","2017-01-23","2018-02-09","~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine","2018-02-14"],["A1H0W","1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine","C9 H11 N5 O","COc1ccc2[nH]c(NC(N)=N)nc2c1;COc1ccc2c(c1)nc([nH]2)NC(=N)N","InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14)","O-PHOSPHONO-D-THREONINE","2023-12-18","2024-11-15","1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine","2024-11-20"],["IIL","ISO-ISOLEUCINE","C6 H13 N O2","O=C(O)C(N)C(C)CC;CC[CH](C)[CH](N)C(O)=O;CCC(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1","ALLO-ISOLEUCINE","1999-07-08","2024-09-27","L-alloisoleucine",""],["A1H0Z","D-Ribitol-5-phosphate","C5 H13 O8 P","OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)O)O)O)O)O","InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1","[(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] dihydrogen phosphate","2023-12-20","2024-05-10","[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] dihydrogen phosphate","2024-05-15"],["IIM","4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine","C21 H16 F N3 O S","C[S](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4;CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4","InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m0/s1","","2022-03-22","2023-06-09","4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1~{H}-imidazol-5-yl]pyridine","2023-06-14"],["A1H16","[6-methyl-5-oxidanylidene-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazol-5-yl)methyl]-4~{H}-pyridin-3-yl]methyl dihydrogen phosphate","C11 H11 N2 O6 P S2","Cc1ncc(CO[P](O)(O)=O)c(C=C2SC(=S)NC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=C2C(=O)NC(=S)S2)O","InChI=1S/C11H11N2O6PS2/c1-5-9(14)7(2-8-10(15)13-11(21)22-8)6(3-12-5)4-19-20(16,17)18/h2-3,14H,4H2,1H3,(H,13,15,21)(H2,16,17,18)/b8-2-","","2024-01-12","2025-01-24","[6-methyl-5-oxidanyl-4-[(~{Z})-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate","2025-01-29"],["IIN","2-METHYL-3-AMINO-3-PHENYLISOINDOL-1-ONE","C15 H14 N2 O","O=C3c1ccccc1C(c2ccccc2)(N)N3C;CN1C(=O)c2ccccc2[C]1(N)c3ccccc3;CN1C(=O)c2ccccc2C1(c3ccccc3)N","InChI=1S/C15H14N2O/c1-17-14(18)12-9-5-6-10-13(12)15(17,16)11-7-3-2-4-8-11/h2-10H,16H2,1H3/t15-/m1/s1","","1999-07-08","2011-06-04","(3R)-3-amino-2-methyl-3-phenyl-2,3-dihydro-1H-isoindol-1-one",""],["A1H1A","Haemophilus influenzae type b (Hib) DP2 oligosaccharide","C20 H40 O23 P2","OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[CH]2[CH](O)[CH](O)O[CH]2CO)O[CH]1CO;C(C1C(C(C(O1)O)O)OP(=O)(O)OCC(C(C(COC2C(C(C(O2)CO)OP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O","InChI=1S/C20H40O23P2/c21-1-7(24)13(28)9(26)5-38-45(35,36)43-18-12(3-23)41-20(16(18)31)37-4-8(25)14(29)10(27)6-39-44(33,34)42-17-11(2-22)40-19(32)15(17)30/h7-32H,1-6H2,(H,33,34)(H,35,36)/t7-,8-,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+/m0/s1","[(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl] [(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3-oxidanyl-4-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2023-12-21","2024-05-10","[(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl] [(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3-oxidanyl-4-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate","2024-05-15"],["IIP","IMIDAZOLE-PYRROLE POLYAMIDE","C30 H41 N12 O5","O=C(c2nc(NC(=O)c1nccn1C)cn2C)Nc4cc(C(=O)Nc3cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c3)C)n(c4)C;Cn1ccnc1C(=O)Nc2cn(C)c(n2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4)C(=O)NCCC(=O)NCCC[NH+](C)C;Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C","InChI=1S/C30H40N12O5/c1-38(2)12-7-9-31-24(43)8-10-33-27(44)21-14-19(16-40(21)4)34-28(45)22-15-20(17-41(22)5)35-30(47)26-36-23(18-42(26)6)37-29(46)25-32-11-13-39(25)3/h11,13-18H,7-10,12H2,1-6H3,(H,31,43)(H,33,44)(H,34,45)(H,35,47)(H,37,46)/p+1","","1999-07-08","2011-06-04","N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium",""],["IIQ","~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide","C21 H22 N6 O3","CCCn1cc(C(=O)Nc2cc(NCCOC)c(cn2)C#N)c3nc(C=O)ccc13;CCCn1cc(c2c1ccc(n2)C=O)C(=O)Nc3cc(c(cn3)C#N)NCCOC","InChI=1S/C21H22N6O3/c1-3-7-27-12-16(20-18(27)5-4-15(13-28)25-20)21(29)26-19-9-17(23-6-8-30-2)14(10-22)11-24-19/h4-5,9,11-13H,3,6-8H2,1-2H3,(H2,23,24,26,29)","","2022-07-01","2024-09-27","~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide","2022-11-16"],["A1H1F","6-deoxy-6-sulfo-beta-D-galacto-heptopyranose","C6 H12 O8 S","O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O","InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1","6-deoxy-6-sulfo-beta-D-galacto-heptose; 6-deoxy-6-sulfo-D-galacto-heptose; 6-deoxy-6-sulfo-galacto-heptose; 6-DEOXY-6-SULFO-D-GALACTO-HEPTOPYRANOSE; [(2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid","2023-12-21","2024-12-27","[(2~{S},3~{R},4~{S},5~{R},6~{R})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid","2025-01-01"],["IIR","{(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol","C22 H19 N5 O","Cn1cc(nc1C#Cc1ccc2nc(c(CO)n2n1)C1CC1)c1ccccc1;Cn1cc(nc1C#Cc2ccc3nc(C4CC4)c(CO)n3n2)c5ccccc5;Cn1cc(nc1C#Cc2ccc3nc(c(n3n2)CO)C4CC4)c5ccccc5","InChI=1S/C22H19N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-8,14H2,1H3","","2022-01-25","2022-10-07","{(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol","2022-10-12"],["A1H1Q","~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate","C41 H44 N8 O9 S3","COc1cc2C(=O)N3CCC[CH]3C=Nc2cc1OCCCC(=O)Nc4cn(C)c(c4)C(=O)Nc5ccc6sc(cc6c5)C(=O)Nc7cn(C)c(n7)C(=O)SC[CH](O)[CH](O)CS;Cn1cc(cc1C(=O)Nc2ccc3c(c2)cc(s3)C(=O)Nc4cn(c(n4)C(=O)SCC(C(CS)O)O)C)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C=N6","InChI=1S/C41H44N8O9S3/c1-47-18-24(43-36(52)7-5-11-58-32-16-27-26(15-31(32)57-3)40(55)49-10-4-6-25(49)17-42-27)14-28(47)38(53)44-23-8-9-33-22(12-23)13-34(61-33)39(54)46-35-19-48(2)37(45-35)41(56)60-21-30(51)29(50)20-59/h8-9,12-19,25,29-30,50-51,59H,4-7,10-11,20-21H2,1-3H3,(H,43,52)(H,44,53)(H,46,54)","","2024-01-03","2025-01-10","~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate","2025-01-15"],["IIS","4-iodanylpyridin-2-amine","C5 H5 I N2","Nc1cc(I)ccn1;c1cnc(cc1I)N","InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)","","2022-03-22","2022-11-18","4-iodanylpyridin-2-amine","2022-11-23"],["A1H1R","ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate","C39 H40 N8 O8 S","CCOC(=O)c1nc(NC(=O)c2sc3ccc(NC(=O)c4cc(NC(=O)CCCOc5cc6N=C[CH]7CCCN7C(=O)c6cc5OC)cn4C)cc3c2)cn1C;CCOC(=O)c1nc(cn1C)NC(=O)c2cc3cc(ccc3s2)NC(=O)c4cc(cn4C)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C=N6","InChI=1S/C39H40N8O8S/c1-5-54-39(52)35-43-33(21-46(35)3)44-37(50)32-15-22-14-23(10-11-31(22)56-32)42-36(49)28-16-24(20-45(28)2)41-34(48)9-7-13-55-30-18-27-26(17-29(30)53-4)38(51)47-12-6-8-25(47)19-40-27/h10-11,14-21,25H,5-9,12-13H2,1-4H3,(H,41,48)(H,42,49)(H,44,50)/t25-/m1/s1","","2024-01-03","2025-01-10","ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate","2025-01-15"],["A1H1U","2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid","C9 H9 B O4","OB1O[CH](CC(O)=O)c2ccccc12;B1(c2ccccc2C(O1)CC(=O)O)O","InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1","4'-methylflavone","2024-01-05","2025-01-24","2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid","2025-01-29"],["IIU","2-chloro-6-ethyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","C20 H16 Cl N5 O","CCc1cc(cc(Cl)n1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1;CCc1cc(cc(Cl)n1)C(=O)Nc2ccn3nc(nc3c2)c4ccccc4;CCc1cc(cc(n1)Cl)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4","InChI=1S/C20H16ClN5O/c1-2-15-10-14(11-17(21)22-15)20(27)23-16-8-9-26-18(12-16)24-19(25-26)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,27)","","2022-01-25","2022-10-07","2-chloro-6-ethyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide","2022-10-12"],["IIV","(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide","C9 H12 Br N3 O3","CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr;CC(=O)NC(CC(=O)N)C(=O)NCC#CBr","InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1","","2022-03-22","2022-11-18","(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide","2022-11-23"],["A1H1V","3-O-sulfo-alpha-L-idopyranuronic acid","C6 H10 O10 S","O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O;C1(C(C(C(OC1C(=O)O)O)O)OS(=O)(=O)O)O","InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1","O3-SULFO-GLUCURONIC ACID; 3-O-sulfo-alpha-L-iduronic acid; 3-O-sulfo-L-iduronic acid; 3-O-sulfo-iduronic acid","2024-01-09","2024-07-12","(2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid","2024-07-17"],["IIW","6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide","C24 H26 Br N7 O4","COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N;COCCNc1cc(ncc1C#N)NC(=O)c2cn(c3c2nc(c(c3)Br)C=O)CCN4CCOCC4","InChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34)","","2022-07-01","2024-09-27","6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide","2022-11-16"],["A1H1Y","(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide","C27 H27 Cl2 F3 N4 O6","CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)C(=O)N([CH]4CCC[CH]4O)c5cc(Cl)cc(Cl)c5;COC1C(C(C(OC1C(=O)N(c2cc(cc(c2)Cl)Cl)C3CCCC3O)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F","InChI=1S/C27H27Cl2F3N4O6/c1-41-25-23(35-10-18(33-34-35)12-5-16(30)22(32)17(31)6-12)24(39)21(11-37)42-26(25)27(40)36(19-3-2-4-20(19)38)15-8-13(28)7-14(29)9-15/h5-10,19-21,23-26,37-39H,2-4,11H2,1H3/t19-,20-,21+,23-,24-,25+,26+/m0/s1","","2024-01-09","2025-01-24","(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide","2025-01-29"],["IIX","4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide","C17 H17 N7 O2","O=C(Nc1cc([NH]n1)c1ccccn1)c1c(cnn1C)C(=O)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc([nH]n3)c4ccccn4;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cc([nH]n3)c4ccccn4","InChI=1S/C17H17N7O2/c1-23-15(11(10-19-23)17(26)24-7-4-8-24)16(25)20-14-9-13(21-22-14)12-5-2-3-6-18-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,20,21,22,25)","","2022-01-26","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["A1H1Z","[1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate","C49 H77 N13 O14","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)OCc1cn(CCOCCOCCOCCNC(=O)CN(c2ccccn2)c3ccccn3)nn1;CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)OCc1cn(nn1)CCOCCOCCOCCNC(=O)CN(c2ccccn2)c3ccccn3)O)O)O","InChI=1S/C49H77N13O14/c1-40(63)60(70)27-12-2-7-23-52-44(64)17-19-47(67)61(71)28-13-3-8-24-53-45(65)18-20-48(68)62(72)29-14-4-9-25-55-49(69)76-39-41-37-58(57-56-41)30-32-74-34-36-75-35-33-73-31-26-54-46(66)38-59(42-15-5-10-21-50-42)43-16-6-11-22-51-43/h5-6,10-11,15-16,21-22,37,70-72H,2-4,7-9,12-14,17-20,23-36,38-39H2,1H3,(H,52,64)(H,53,65)(H,54,66)(H,55,69)","","2024-01-09","2024-11-15","[1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate","2024-11-20"],["A1H29","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[2-(1~{H}-1,2,3-triazol-4-yl)ethylsulfanylmethyl]oxolane-3,4-diol","C14 H18 N8 O3 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCc4c[nH]nn4)[CH](O)[CH]3O;c1c(nn[nH]1)CCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C14H18N8O3S/c15-12-9-13(17-5-16-12)22(6-18-9)14-11(24)10(23)8(25-14)4-26-2-1-7-3-19-21-20-7/h3,5-6,8,10-11,14,23-24H,1-2,4H2,(H2,15,16,17)(H,19,20,21)","","2024-02-01","2024-02-09","(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[2-(1~{H}-1,2,3-triazol-4-yl)ethylsulfanylmethyl]oxolane-3,4-diol","2024-02-14"],["IIY","(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide","C7 H10 N2 O2","CC(=O)NCC(=O)N=CC=C;CC(=O)NCC(=O)N=CC=C","InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+","","2022-03-22","2022-11-18","(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide","2022-11-23"],["IIZ","(3~{R},5~{R})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","C20 H20 F N5 O2 S","CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(F)cc4;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4)F)O","InChI=1S/C20H20FN5O2S/c1-3-8-26(2)10-17-23-16(11-29-17)20(27)9-15(22-12-20)19-24-18(25-28-19)13-4-6-14(21)7-5-13/h1,4-7,11,15,22,27H,8-10,12H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","2024-08-07"],["A1H2A","(2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid","C16 H25 N4 O10 P2 S","CC[C](O)(C(O)=O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;CCC(c1[n+](c(c(s1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)(C(=O)O)O","InChI=1S/C16H24N4O10P2S/c1-4-16(23,15(21)22)14-20(8-11-7-18-10(3)19-13(11)17)9(2)12(33-14)5-6-29-32(27,28)30-31(24,25)26/h7,23H,4-6,8H2,1-3H3,(H5-,17,18,19,21,22,24,25,26,27,28)/p+1/t16-/m1/s1","Ketobutyryl-thiamine diphosphate","2024-01-16","2024-06-07","(2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-butanoic acid","2024-06-12"],["IJ0","(4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine","C20 H15 F2 N5","FC(F)c1nc2ccc(nn2c1C)C#Cc1nc(cn1C)c1ccccc1;Cn1cc(nc1C#Cc2ccc3nc(C(F)F)c(C)n3n2)c4ccccc4;Cc1c(nc2n1nc(cc2)C#Cc3nc(cn3C)c4ccccc4)C(F)F","InChI=1S/C20H15F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,1-2H3","","2022-01-26","2022-10-07","(4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine","2022-10-12"],["IJ1","2-[(3-methylbenzyl)amino]ethanesulfonic acid","C10 H15 N O3 S","O=S(=O)(O)CCNCc1cccc(c1)C;Cc1cccc(CNCC[S](O)(=O)=O)c1;Cc1cccc(c1)CNCCS(=O)(=O)O","InChI=1S/C10H15NO3S/c1-9-3-2-4-10(7-9)8-11-5-6-15(12,13)14/h2-4,7,11H,5-6,8H2,1H3,(H,12,13,14)","","2012-07-02","2012-10-26","2-[(3-methylbenzyl)amino]ethanesulfonic acid","2012-10-26"],["A1H2F","(3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione","C47 H50 Cl N9 O3","Cc1nnc2n1c3ccc(cc3C(=NC24CC4)c5ccc(Cl)cc5)c6cnn(CCCCCCCN7CCC(CC7)c8cccc9C(=O)N(Cc89)[CH]%10CCC(=O)NC%10=O)c6;Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)CCCCCCCN7CCC(CC7)c8cccc9c8CN(C9=O)C1CCC(=O)NC1=O","InChI=1S/C47H50ClN9O3/c1-30-52-53-46-47(20-21-47)51-43(32-10-13-35(48)14-11-32)38-26-33(12-15-40(38)57(30)46)34-27-49-55(28-34)23-6-4-2-3-5-22-54-24-18-31(19-25-54)36-8-7-9-37-39(36)29-56(45(37)60)41-16-17-42(58)50-44(41)59/h7-15,26-28,31,41H,2-6,16-25,29H2,1H3,(H,50,58,59)/t41-/m0/s1","","2024-01-18","2024-09-20","(3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione","2024-09-25"],["A1H2Q","(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol","C23 H26 Cl F3 N6 O5","CO[CH]1[CH](Cc2cn(nn2)[CH]3CCOC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F;COC1C(OC(C(C1n2cc(nn2)c3ccc(c(c3F)F)Cl)O)CO)Cc4cn(nn4)C5CCOCC5F","InChI=1S/C23H26ClF3N6O5/c1-36-23-17(6-11-7-32(30-28-11)16-4-5-37-10-14(16)25)38-18(9-34)22(35)21(23)33-8-15(29-31-33)12-2-3-13(24)20(27)19(12)26/h2-3,7-8,14,16-18,21-23,34-35H,4-6,9-10H2,1H3/t14-,16-,17+,18+,21-,22-,23-/m0/s1","","2024-01-22","2025-01-24","(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol","2025-01-29"],["IJ2","2-[(furan-2-ylmethyl)amino]ethanesulfonic acid","C7 H11 N O4 S","O=S(=O)(O)CCNCc1occc1;O[S](=O)(=O)CCNCc1occc1;c1cc(oc1)CNCCS(=O)(=O)O","InChI=1S/C7H11NO4S/c9-13(10,11)5-3-8-6-7-2-1-4-12-7/h1-2,4,8H,3,5-6H2,(H,9,10,11)","","2012-06-29","2012-10-26","2-[(furan-2-ylmethyl)amino]ethanesulfonic acid","2012-10-26"],["IJ3","(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide","C10 H19 Br N2 O2","CC(C)[CH](NC(C)=O)C(=O)NCCCBr;CC(C)C(C(=O)NCCCBr)NC(=O)C","InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1","","2022-03-22","2022-11-18","(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide","2022-11-23"],["A1H2R","(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol","C22 H24 Cl F3 N6 O5","CO[CH]1[CH](Cc2cn(nn2)[CH]3COC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F;COC1C(OC(C(C1n2cc(nn2)c3ccc(c(c3F)F)Cl)O)CO)Cc4cn(nn4)C5COCC5F","InChI=1S/C22H24ClF3N6O5/c1-35-22-16(4-10-5-31(29-27-10)15-9-36-8-13(15)24)37-17(7-33)21(34)20(22)32-6-14(28-30-32)11-2-3-12(23)19(26)18(11)25/h2-3,5-6,13,15-17,20-22,33-34H,4,7-9H2,1H3/t13-,15+,16-,17-,20+,21+,22+/m1/s1","","2024-01-22","2025-01-24","(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol","2025-01-29"],["IJ4","2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid","C10 H14 F N O3 S","Fc1ccc(cc1C)CNCCS(=O)(=O)O;Cc1cc(CNCC[S](O)(=O)=O)ccc1F;Cc1cc(ccc1F)CNCCS(=O)(=O)O","InChI=1S/C10H14FNO3S/c1-8-6-9(2-3-10(8)11)7-12-4-5-16(13,14)15/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15)","","2012-07-02","2012-10-26","2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid","2012-10-26"],["IJ5","(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile","C8 H6 Cl N O","O[CH](C#N)c1ccccc1Cl;c1ccc(c(c1)C(C#N)O)Cl","InChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H/t8-/m0/s1","(R)-2-chloromandelonitrile","2022-07-04","2024-01-19","(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile","2024-01-24"],["A1H2Y","N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide","C23 H29 N7 O3","COc1cc(Nc2nccc(n2)c3cc(n(C)n3)C(=O)N[CH](C)CN4CCC4)cc(OC)c1;CC(CN1CCC1)NC(=O)c2cc(nn2C)c3ccnc(n3)Nc4cc(cc(c4)OC)OC","InChI=1S/C23H29N7O3/c1-15(14-30-8-5-9-30)25-22(31)21-13-20(28-29(21)2)19-6-7-24-23(27-19)26-16-10-17(32-3)12-18(11-16)33-4/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,25,31)(H,24,26,27)/t15-/m0/s1","~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide","2024-01-24","2024-04-19","~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide","2024-04-24"],["IJ6","2-[(cyclohexylmethyl)amino]ethanesulfonic acid","C9 H19 N O3 S","O=S(=O)(O)CCNCC1CCCCC1;O[S](=O)(=O)CCNCC1CCCCC1;C1CCC(CC1)CNCCS(=O)(=O)O","InChI=1S/C9H19NO3S/c11-14(12,13)7-6-10-8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,11,12,13)","","2012-06-25","2012-10-26","2-[(cyclohexylmethyl)amino]ethanesulfonic acid","2012-10-26"],["IJ7","6-cyclopropyl-N-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C21 H18 N6 O2","O=C(Nc1cc2C(=O)NCc2cc1)c1nc(ccc1Nc1cncnc1)C1CC1;O=C1NCc2ccc(NC(=O)c3nc(ccc3Nc4cncnc4)C5CC5)cc12;c1cc2c(cc1NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5)C(=O)NC2","InChI=1S/C21H18N6O2/c28-20-16-7-14(4-3-13(16)8-24-20)26-21(29)19-18(25-15-9-22-11-23-10-15)6-5-17(27-19)12-1-2-12/h3-7,9-12,25H,1-2,8H2,(H,24,28)(H,26,29)","","2022-01-26","2022-10-07","6-cyclopropyl-N-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["IJ8","(3~{S},4~{R})-oxolane-3,4-diol","C4 H8 O3","O[CH]1COC[CH]1O;C1C(C(CO1)O)O","InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+","","2022-03-22","2023-03-24","(3~{S},4~{R})-oxolane-3,4-diol","2023-03-29"],["A1H3A","5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-2-chloranyl-benzoic acid","C18 H18 Cl N5 O5 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4ccc(Cl)c(c4)C(O)=O)[CH](O)[CH]3O;c1cc(c(cc1CSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)C(=O)O)Cl","InChI=1S/C18H18ClN5O5S/c19-10-2-1-8(3-9(10)18(27)28)4-30-5-11-13(25)14(26)17(29-11)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17,25-26H,4-5H2,(H,27,28)(H2,20,21,22)/t11-,13-,14-,17-/m1/s1","","2024-02-01","2024-02-09","5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-2-chloranyl-benzoic acid","2024-02-14"],["IJ9","(3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","C20 H20 Br N5 O2 S","CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(Br)cc4;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4)Br)O","InChI=1S/C20H20BrN5O2S/c1-3-8-26(2)10-17-23-16(11-29-17)20(27)9-15(22-12-20)19-24-18(25-28-19)13-4-6-14(21)7-5-13/h1,4-7,11,15,22,27H,8-10,12H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","2024-08-07"],["A1H3B","3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid","C24 H23 N5 O6 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5ccc(O)cc5)C(O)=O)[CH](O)[CH]3O;c1cc(ccc1c2cc(cc(c2)C(=O)O)CSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C24H23N5O6S/c25-21-18-22(27-10-26-21)29(11-28-18)23-20(32)19(31)17(35-23)9-36-8-12-5-14(7-15(6-12)24(33)34)13-1-3-16(30)4-2-13/h1-7,10-11,17,19-20,23,30-32H,8-9H2,(H,33,34)(H2,25,26,27)","","2024-02-01","2024-02-09","3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid","2024-02-14"],["IJA","1-methyl-N~5~-[(4S)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(1H-pyrazol-3-yl)methyl]-1H-pyrazole-4,5-dicarboxamide","C22 H19 N9 O2","O=C(NCc1cc[NH]n1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;Cn1ncc(C(=O)NCc2cc[nH]n2)c1C(=O)Nc3ccn4cc(nc4n3)c5ccccc5;Cn1c(c(cn1)C(=O)NCc2cc[nH]n2)C(=O)Nc3ccn4cc(nc4n3)c5ccccc5","InChI=1S/C22H19N9O2/c1-30-19(16(12-25-30)20(32)23-11-15-7-9-24-29-15)21(33)27-18-8-10-31-13-17(26-22(31)28-18)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,32)(H,24,29)(H,26,27,28,33)","","2022-01-26","2022-10-07","1-methyl-N~5~-[(4S)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(1H-pyrazol-3-yl)methyl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["A1H3E","3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-oxidanylprop-1-ynyl)benzoic acid","C21 H23 N5 O6 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(C=CCO)cc(c4)C(O)=O)[CH](O)[CH]3O;c1c(cc(cc1C=CCO)C(=O)O)CSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C21H23N5O6S/c22-18-15-19(24-9-23-18)26(10-25-15)20-17(29)16(28)14(32-20)8-33-7-12-4-11(2-1-3-27)5-13(6-12)21(30)31/h1-2,4-6,9-10,14,16-17,20,27-29H,3,7-8H2,(H,30,31)(H2,22,23,24)/b2-1+/t14-,16-,17-,20-/m1/s1","","2024-02-01","2024-02-09","3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-[(~{E})-3-oxidanylprop-1-enyl]benzoic acid","2024-02-14"],["IJB","4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid","C16 H12 N2 O3","Nc1ccc2c(NC(=O)C2=Cc3ccc(cc3)C(O)=O)c1;c1cc(ccc1C=C2c3ccc(cc3NC2=O)N)C(=O)O","InChI=1S/C16H12N2O3/c17-11-5-6-12-13(15(19)18-14(12)8-11)7-9-1-3-10(4-2-9)16(20)21/h1-8H,17H2,(H,18,19)(H,20,21)/b13-7+","","2022-03-22","2023-01-27","4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid","2023-02-01"],["A1H3F","1-[3-[[5-[4-[2-(dimethylamino)ethoxy]-6-methyl-pyrimidin-5-yl]pyridin-2-yl]methyl]-1,2,3-oxadiazol-3-ium-5-yl]-3-[3-(trifluoromethyl)phenyl]urea","C25 H26 F3 N8 O3","CN(C)CCOc1ncnc(C)c1c2ccc(C[n+]3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)on3)nc2;Cc1c(c(ncn1)OCCN(C)C)c2ccc(nc2)C[n+]3cc(on3)NC(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C25H25F3N8O3/c1-16-22(23(31-15-30-16)38-10-9-35(2)3)17-7-8-20(29-12-17)13-36-14-21(39-34-36)33-24(37)32-19-6-4-5-18(11-19)25(26,27)28/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H-,32,33,34,37)/p+1","","2024-02-02","2025-10-31","1-[3-[[5-[4-[2-(dimethylamino)ethoxy]-6-methyl-pyrimidin-5-yl]pyridin-2-yl]methyl]-1,2,3-oxadiazol-3-ium-5-yl]-3-[3-(trifluoromethyl)phenyl]urea","2025-11-05"],["IJC","2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid","C13 H11 Cl N4 O6 S","COc1cc(Cl)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(O)=O)n1;COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)Cl","InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)","","2022-07-05","2023-07-14","2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid","2023-07-19"],["A1H3Q","(2~{R})-3-[(4-ethyl-1-benzofuran-7-yl)oxy]-2-fluoranyl-propan-1-ol","C13 H15 F O3","CCc1ccc(OC[CH](F)CO)c2occc12;CCc1ccc(c2c1cco2)OCC(CO)F","InChI=1S/C13H15FO3/c1-2-9-3-4-12(17-8-10(14)7-15)13-11(9)5-6-16-13/h3-6,10,15H,2,7-8H2,1H3/t10-/m1/s1","","2024-02-05","2025-01-31","(2~{R})-3-[(4-ethyl-1-benzofuran-7-yl)oxy]-2-fluoranyl-propan-1-ol","2025-02-05"],["A1H3R","(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine","C21 H24 N4 O S","C[CH]1COCCN1c2nc3CCNCCc3c(n2)c4csc5ccccc45;CC1COCCN1c2nc3c(c(n2)c4csc5c4cccc5)CCNCC3","InChI=1S/C21H24N4OS/c1-14-12-26-11-10-25(14)21-23-18-7-9-22-8-6-16(18)20(24-21)17-13-27-19-5-3-2-4-15(17)19/h2-5,13-14,22H,6-12H2,1H3/t14-/m0/s1"," Respiri-1093","2024-02-06","2025-08-15","(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine","2025-08-20"],["IJD","6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C25 H27 N9 O","CN(C)CCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ccccn1;CN(C)CCn1nc(cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c5ccccn5;CN(C)CCn1c(cc(n1)c2ccccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C25H27N9O/c1-33(2)11-12-34-23(13-22(32-34)20-5-3-4-10-28-20)31-25(35)24-21(29-18-14-26-16-27-15-18)9-8-19(30-24)17-6-7-17/h3-5,8-10,13-17,29H,6-7,11-12H2,1-2H3,(H,31,35)","","2022-01-26","2022-10-07","6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["IJE","{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid","C17 H24 N3 O5 P","OP(O)(CCC1CCN(CC1)c3c2cc(c(cc2ncn3)OC)OC)=O;COc1cc2ncnc(N3CCC(CC3)CC[P](O)(O)=O)c2cc1OC;COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O","InChI=1S/C17H24N3O5P/c1-24-15-9-13-14(10-16(15)25-2)18-11-19-17(13)20-6-3-12(4-7-20)5-8-26(21,22)23/h9-12H,3-8H2,1-2H3,(H2,21,22,23)","","2020-06-29","2021-05-28","{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid","2021-06-02"],["IJF","(4-bromanylpyridin-2-yl)methanol","C6 H6 Br N O","OCc1cc(Br)ccn1;c1cnc(cc1Br)CO","InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2","","2022-03-22","2022-11-18","(4-bromanylpyridin-2-yl)methanol","2022-11-23"],["A1H3V","(3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one","C8 H13 N O5","OC[CH]1C[CH]2OC(=O)N[CH]2[CH](O)[CH]1O;C1C(C(C(C2C1OC(=O)N2)O)O)CO","InChI=1S/C8H13NO5/c10-2-3-1-4-5(7(12)6(3)11)9-8(13)14-4/h3-7,10-12H,1-2H2,(H,9,13)/t3-,4+,5+,6-,7-/m1/s1","alpha-1,2-cyclophellitol analogue","2024-02-07","2024-05-10","(3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one","2024-05-15"],["IJG","(3~{R},5~{R})-3-[2-[[methyl(prop-2-enyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C21 H22 F3 N5 O2 S","CN(CC=C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4)C(F)(F)F;CN(CC=C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4)C(F)(F)F)O","InChI=1S/C21H22F3N5O2S/c1-3-8-29(2)10-17-26-16(11-32-17)20(30)9-15(25-12-20)19-27-18(28-31-19)13-4-6-14(7-5-13)21(22,23)24/h3-7,11,15,25,30H,1,8-10,12H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-3-[2-[[methyl(prop-2-enyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2024-08-07"],["A1H3Y","2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethanol","C17 H17 N O2","OCCc1c[nH]c2ccc(OCc3ccccc3)cc12;c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCO","InChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2","","2024-02-08","2025-02-14","2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethanol","2025-02-19"],["IJH","(4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine","C20 H21 N5","Cn1cc(nc1CCc1ccc2nc(C)c(C)n2n1)c1ccccc1;Cn1cc(nc1CCc2ccc3nc(C)c(C)n3n2)c4ccccc4;Cc1c(n2c(n1)ccc(n2)CCc3nc(cn3C)c4ccccc4)C","InChI=1S/C20H21N5/c1-14-15(2)25-20(21-14)12-10-17(23-25)9-11-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,10,12-13H,9,11H2,1-3H3","","2022-01-26","2022-10-07","(4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine","2022-10-12"],["A1H3Z","4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one","C19 H19 N O2","CC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12;CC(=O)CCc1c[nH]c2c1cc(cc2)OCc3ccccc3","InChI=1S/C19H19NO2/c1-14(21)7-8-16-12-20-19-10-9-17(11-18(16)19)22-13-15-5-3-2-4-6-15/h2-6,9-12,20H,7-8,13H2,1H3","","2024-02-08","2025-02-14","4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one","2025-02-19"],["IJI","(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide","C11 H19 N5 O2","CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C;CC(=O)NC(CCCNC(=N)N)C(=O)N=CC=C","InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1","","2022-03-22","2022-11-18","(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide","2022-11-23"],["A1H4B","3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid","C23 H22 N6 O5 S","Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5cccnc5)C(O)=O)[CH](O)[CH]3O;c1cc(cnc1)c2cc(cc(c2)C(=O)O)CSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O","InChI=1S/C23H22N6O5S/c24-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(34-22)9-35-8-12-4-14(6-15(5-12)23(32)33)13-2-1-3-25-7-13/h1-7,10-11,16,18-19,22,30-31H,8-9H2,(H,32,33)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1","3-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-5-(pyridin-3-yl)benzoic acid","2024-02-13","2024-02-16","3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid","2024-02-21"],["IJJ","3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide","C21 H23 N3 O6","COc1ccc(CCNC(=O)c2onc(n2)c3ccc(OC)c(OC)c3)cc1OC;COc1ccc(cc1OC)CCNC(=O)c2nc(no2)c3ccc(c(c3)OC)OC","InChI=1S/C21H23N3O6/c1-26-15-7-5-13(11-17(15)28-3)9-10-22-20(25)21-23-19(24-30-21)14-6-8-16(27-2)18(12-14)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)","","2023-08-01","2023-11-17","3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide","2023-11-22"],["IJK","(8S)-6,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-N-(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine","C19 H29 N9","Cn1nc(nc1CCc1nc(NC(C)C)c2nc(C)c(C)n2n1)N1CCCC1;CC(C)Nc1nc(CCc2nc(nn2C)N3CCCC3)nn4c(C)c(C)nc14;Cc1c(n2c(n1)c(nc(n2)CCc3nc(nn3C)N4CCCC4)NC(C)C)C","InChI=1S/C19H29N9/c1-12(2)20-17-18-21-13(3)14(4)28(18)24-15(22-17)8-9-16-23-19(25-26(16)5)27-10-6-7-11-27/h12H,6-11H2,1-5H3,(H,20,22,24)","","2022-01-26","2022-10-07","(8S)-6,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-N-(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine","2022-10-12"],["IJL","4-iodanylbenzamide","C7 H6 I N O","NC(=O)c1ccc(I)cc1;c1cc(ccc1C(=O)N)I","InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)","","2022-03-22","2022-11-18","4-iodanylbenzamide","2022-11-23"],["A1H4F","(2S)-2-[2-[4-[[(2R,3S,4S)-3-acetyloxy-4-oxidanyl-pyrrolidin-2-yl]methyl]phenoxy]ethanoylamino]-6-azanyl-hexanoic acid","C21 H31 N3 O7","CC(=O)O[CH]1[CH](O)CN[CH]1Cc2ccc(OCC(=O)N[CH](CCCCN)C(O)=O)cc2;CC(=O)OC1C(CNC1Cc2ccc(cc2)OCC(=O)NC(CCCCN)C(=O)O)O","InChI=1S/C21H31N3O7/c1-13(25)31-20-17(23-11-18(20)26)10-14-5-7-15(8-6-14)30-12-19(27)24-16(21(28)29)4-2-3-9-22/h5-8,16-18,20,23,26H,2-4,9-12,22H2,1H3,(H,24,27)(H,28,29)/t16-,17+,18-,20-/m0/s1","","2024-02-14","2024-05-10","(2~{S})-2-[2-[4-[[(2~{R},3~{S},4~{S})-3-acetyloxy-4-oxidanyl-pyrrolidin-2-yl]methyl]phenoxy]ethanoylamino]-6-azanyl-hexanoic acid","2024-05-15"],["IJM","(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid","C14 H8 F3 N5 O4","O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1;OC(=O)C1=C(O)C(=O)C=C(N1)c2ccc(cc2C(F)(F)F)c3[nH]nnn3;c1cc(c(cc1c2[nH]nnn2)C(F)(F)F)C3=CC(=O)C(=C(N3)C(=O)O)O","InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)","","2023-08-01","2024-05-03","(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid","2024-05-08"],["A1H4Q","5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide","C18 H19 Cl N4 O2 S","Cn1cc(Cl)c2cccc(N[S](=O)(=O)N3Cc4ccc(CN)cc4C3)c12;Cn1cc(c2c1c(ccc2)NS(=O)(=O)N3Cc4ccc(cc4C3)CN)Cl","InChI=1S/C18H19ClN4O2S/c1-22-11-16(19)15-3-2-4-17(18(15)22)21-26(24,25)23-9-13-6-5-12(8-20)7-14(13)10-23/h2-7,11,21H,8-10,20H2,1H3","","2024-02-15","2024-03-15","5-(aminomethyl)-~{N}-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide","2024-03-20"],["IJN","(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one","C19 H16 Cl N3 O2","Clc1ccccc1c1nc(C)c2n1c1cc(OC)ccc1C(=O)N2C;COc1ccc2C(=O)N(C)c3n(c2c1)c(nc3C)c4ccccc4Cl;Cc1c2n(c(n1)c3ccccc3Cl)-c4cc(ccc4C(=O)N2C)OC","InChI=1S/C19H16ClN3O2/c1-11-18-22(2)19(24)14-9-8-12(25-3)10-16(14)23(18)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3","","2022-01-26","2022-10-07","(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one","2022-10-12"],["A1H4R","3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine","C16 H15 Cl2 N3","NCCCc1cnc2c([nH]cc2c3cccc(Cl)c3Cl)c1;c1cc(c(c(c1)Cl)Cl)c2c[nH]c3c2ncc(c3)CCCN","InChI=1S/C16H15Cl2N3/c17-13-5-1-4-11(15(13)18)12-9-20-14-7-10(3-2-6-19)8-21-16(12)14/h1,4-5,7-9,20H,2-3,6,19H2","","2024-02-15","2024-03-15","3-[3-[2,3-bis(chloranyl)phenyl]-1~{H}-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine","2024-03-20"],["IJO","4-bromanyl-2-methoxy-pyridine","C6 H6 Br N O","COc1cc(Br)ccn1;COc1cc(ccn1)Br","InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3","","2022-03-22","2022-11-18","4-bromanyl-2-methoxy-pyridine","2022-11-23"],["A1H4U","3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide","C27 H21 F3 N6 O","Cc1ccc(cc1C#Cc2cnc(NC3CC3)nc2)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5ccnc5;Cc1ccc(cc1C#Cc2cnc(nc2)NC3CC3)C(=O)Nc4cc(cc(c4)n5ccnc5)C(F)(F)F","InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35)","","2024-02-16","2025-08-29","3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide","2025-09-03"],["IJP","3,5-dimethoxy-4-oxidanyl-benzoic acid","C9 H10 O5","COc1cc(cc(OC)c1O)C(O)=O;COc1cc(cc(c1O)OC)C(=O)O","InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)","Syringic acid","2022-07-06","2023-06-23","3,5-dimethoxy-4-oxidanyl-benzoic acid","2023-06-28"],["A1H4V","(2~{R},4~{R})-5,5-dimethyl-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid","C13 H19 N2 O7 P S","Cc1ncc(CO[P](O)(O)=O)c([CH]2N[CH](C(O)=O)C(C)(C)S2)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C2NC(C(S2)(C)C)C(=O)O)O","InChI=1S/C13H19N2O7PS/c1-6-9(16)8(7(4-14-6)5-22-23(19,20)21)11-15-10(12(17)18)13(2,3)24-11/h4,10-11,15-16H,5H2,1-3H3,(H,17,18)(H2,19,20,21)/t10-,11-/m1/s1","","2024-02-19","2025-02-28","(2~{R},4~{R})-5,5-dimethyl-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid","2025-03-05"],["IJQ","4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide","C24 H24 N8 O2","O=C(N1CCC1)c1cnn(C)c1C(=O)NCCc1nc(nn1c1ncccc1)c1ccccc1;Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc(nn3c4ccccn4)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)NCCc3nc(nn3c4ccccn4)c5ccccc5","InChI=1S/C24H24N8O2/c1-30-21(18(16-27-30)24(34)31-14-7-15-31)23(33)26-13-11-20-28-22(17-8-3-2-4-9-17)29-32(20)19-10-5-6-12-25-19/h2-6,8-10,12,16H,7,11,13-15H2,1H3,(H,26,33)","","2022-01-26","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide","2022-10-12"],["A1H4X","~{N}7-cyclopentyl-5,6,8-tris(fluoranyl)-2-methyl-quinazoline-4,7-diamine","C14 H15 F3 N4","Cc1nc(N)c2c(F)c(F)c(NC3CCCC3)c(F)c2n1;Cc1nc2c(c(c(c(c2F)NC3CCCC3)F)F)c(n1)N","InChI=1S/C14H15F3N4/c1-6-19-12-8(14(18)20-6)9(15)10(16)13(11(12)17)21-7-4-2-3-5-7/h7,21H,2-5H2,1H3,(H2,18,19,20)","","2024-02-19","2025-02-28","~{N}7-cyclopentyl-5,6,8-tris(fluoranyl)-2-methyl-quinazoline-4,7-diamine","2025-03-05"],["IJR","(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide","C8 H11 Br N2 O2","C[CH](NC(C)=O)C(=O)NCC#CBr;CC(C(=O)NCC#CBr)NC(=O)C","InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1","","2022-03-22","2022-11-18","(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide","2022-11-23"],["IJS","(3R,5R)-3-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)-5-{3-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol","C21 H19 F3 N6 O4 S","CN(Cc1nc(cs1)C1(O)CC(NC1)c1nc(no1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)CC#C;CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4[N+]([O-])=O)C(F)(F)F;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4[N+](=O)[O-])C(F)(F)F)O","InChI=1S/C21H19F3N6O4S/c1-3-6-29(2)9-17-26-16(10-35-17)20(31)8-14(25-11-20)19-27-18(28-34-19)13-5-4-12(21(22,23)24)7-15(13)30(32)33/h1,4-5,7,10,14,25,31H,6,8-9,11H2,2H3/t14-,20-/m1/s1","","2023-08-01","2026-04-05","(3R,5R)-3-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)-5-{3-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol","2024-08-07"],["A1H5A","(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1-~{tert}-butyl-1,2,3-triazol-4-yl)methyl]-2-(hydroxymethyl)-5-methoxy-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol","C22 H27 F3 N6 O4","CO[CH]1[CH](Cc2cn(nn2)C(C)(C)C)O[CH](CO)[CH](O)[CH]1n3cc(nn3)c4cc(F)c(F)c(F)c4;CC(C)(C)n1cc(nn1)CC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)OC","InChI=1S/C22H27F3N6O4/c1-22(2,3)31-8-12(26-29-31)7-16-21(34-4)19(20(33)17(10-32)35-16)30-9-15(27-28-30)11-5-13(23)18(25)14(24)6-11/h5-6,8-9,16-17,19-21,32-33H,7,10H2,1-4H3/t16-,17-,19+,20+,21+/m1/s1","","2024-02-26","2025-03-07","(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1-~{tert}-butyl-1,2,3-triazol-4-yl)methyl]-2-(hydroxymethyl)-5-methoxy-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol","2025-03-12"],["IJT","2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline","C20 H18 N4 O","Cn1cc(nc1COc1nc2ccccc2nc1C)c1ccccc1;Cn1cc(nc1COc2nc3ccccc3nc2C)c4ccccc4;Cc1c(nc2ccccc2n1)OCc3nc(cn3C)c4ccccc4","InChI=1S/C20H18N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3","","2022-01-26","2025-07-25","2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline","2022-10-12"],["A1H5B","8-nitro-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one","C15 H8 F3 N3 O3","[O-][N+](=O)c1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F;c1cc2c(c(c1)[N+](=O)[O-])N=C(NC2=O)c3ccc(cc3)C(F)(F)F","InChI=1S/C15H8F3N3O3/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21(23)24/h1-7H,(H,19,20,22)","","2024-02-26","2025-03-07","8-nitro-2-[4-(trifluoromethyl)phenyl]-3~{H}-quinazolin-4-one","2025-03-12"],["IJU","4-bromanyl-2-(methoxymethyl)pyridine","C7 H8 Br N O","COCc1cc(Br)ccn1;COCc1cc(ccn1)Br","InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3","","2022-03-22","2022-11-18","4-bromanyl-2-(methoxymethyl)pyridine","2022-11-23"],["A1H5E","[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","C14 H28 O8 S","CCCCCCCCO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;CCCCCCCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O","InChI=1S/C14H28O8S/c1-2-3-4-5-6-7-8-21-14-13(17)12(16)11(15)10(22-14)9-23(18,19)20/h10-17H,2-9H2,1H3,(H,18,19,20)/t10-,11-,12+,13-,14+/m1/s1","","2024-02-27","2024-04-12","[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","2024-04-17"],["IJV","3,5-dimethoxy-4-oxidanyl-benzaldehyde","C9 H10 O4","COc1cc(C=O)cc(OC)c1O;COc1cc(cc(c1O)OC)C=O","InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3","Syringaldehyde","2022-07-06","2023-06-23","3,5-dimethoxy-4-oxidanyl-benzaldehyde","2023-06-28"],["A1H5F","2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone","C15 H15 Cl F4 N2 O4 S","Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2;c1cc(c(cc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)F)C(F)(F)F","InChI=1S/C15H15ClF4N2O4S/c16-6-13(23)21-7-14(8-21)9-22(3-4-26-14)27(24,25)10-1-2-11(12(17)5-10)15(18,19)20/h1-2,5H,3-4,6-9H2","","2024-02-28","2025-02-28","2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone","2025-03-05"],["IJW","6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide","C23 H25 N5 O3","O=C(NC1CCOC1)c1nc(cnc1OCc1nc(cn1C)c1ccccc1)C1CC1;Cn1cc(nc1COc2ncc(nc2C(=O)N[CH]3CCOC3)C4CC4)c5ccccc5;Cn1cc(nc1COc2c(nc(cn2)C3CC3)C(=O)NC4CCOC4)c5ccccc5","InChI=1S/C23H25N5O3/c1-28-12-19(15-5-3-2-4-6-15)26-20(28)14-31-23-21(22(29)25-17-9-10-30-13-17)27-18(11-24-23)16-7-8-16/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)/t17-/m0/s1","","2022-01-26","2025-07-25","6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide","2022-10-12"],["A1H5Q","6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)-1,2,3-triazol-4-yl]ethylamino]methyl]-4H-1,4-benzothiazin-3-one","C22 H21 N7 O2 S","COc1ccc2nccc(n3cc(CCNCc4ccc5SCC(=O)Nc5c4)nn3)c2n1;COc1ccc2c(n1)c(ccn2)n3cc(nn3)CCNCc4ccc5c(c4)NC(=O)CS5","InChI=1S/C22H21N7O2S/c1-31-21-5-3-16-22(26-21)18(7-9-24-16)29-12-15(27-28-29)6-8-23-11-14-2-4-19-17(10-14)25-20(30)13-32-19/h2-5,7,9-10,12,23H,6,8,11,13H2,1H3,(H,25,30)","","2024-03-05","2025-03-14","6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)-1,2,3-triazol-4-yl]ethylamino]methyl]-4~{H}-1,4-benzothiazin-3-one","2025-03-19"],["A1H5R","~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine","C16 H18 N4","CCc1ccccc1N(C)c2cc3n(C)cnc3cn2;CCc1ccccc1N(C)c2cc3c(cn2)ncn3C","InChI=1S/C16H18N4/c1-4-12-7-5-6-8-14(12)20(3)16-9-15-13(10-17-16)18-11-19(15)2/h5-11H,4H2,1-3H3","","2024-03-07","2024-11-01","~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine","2024-11-06"],["IJX","~{N}-(4-bromophenyl)ethanamide","C8 H8 Br N O","CC(=O)Nc1ccc(Br)cc1;CC(=O)Nc1ccc(cc1)Br","InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)","","2022-03-22","2022-11-18","~{N}-(4-bromophenyl)ethanamide","2022-11-23"],["IJY","(3~{R},5~{R})-3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C17 H15 F3 N4 O3 S","OCc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4)C(F)(F)F;c1cc(ccc1c2nc(on2)C3CC(CN3)(c4csc(n4)CO)O)C(F)(F)F","InChI=1S/C17H15F3N4O3S/c18-17(19,20)10-3-1-9(2-4-10)14-23-15(27-24-14)11-5-16(26,8-21-11)12-7-28-13(6-25)22-12/h1-4,7,11,21,25-26H,5-6,8H2/t11-,16-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2024-08-07"],["A1H5U","(5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one","C32 H33 Cl F2 N6 O4","CCC(=O)N1C[CH](C)N(C[CH]1C)C2=NC(=O)[N]3c4nc(c(Cl)cc24)c5c(F)ccc(F)c5OCCOc6ccnc(C(C)C)c36;CCC(=O)N1CC(N(CC1C)C2=NC(=O)N3c4c(ccnc4C(C)C)OCCOc5c(ccc(c5-c6c(cc2c3n6)Cl)F)F)C","InChI=1S/C32H33ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h7-10,13,16-18H,6,11-12,14-15H2,1-5H3/t17-,18+/m1/s1","HYDROXYETHYLAMINE BACE INHIBITOR","2024-03-07","2024-09-27","","2024-07-10"],["IJZ","5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C5 H5 N3 O4","NC1=C(NC(=O)NC1=O)C(O)=O;C1(=C(NC(=O)NC1=O)C(=O)O)N","InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)","5-aminoorotic acid","2010-04-15","2021-03-01","",""],["A1H5V","5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide","C29 H34 Cl F N4 O5","CCOc1cc(F)c(Cl)cc1C(=O)NCC(C)(C)CC(=O)NC2=C(COC)N3CCCc4ccccc4N3C2=O;CCOc1cc(c(cc1C(=O)NCC(C)(C)CC(=O)NC2=C(N3CCCc4ccccc4N3C2=O)COC)Cl)F","InChI=1S/C29H34ClFN4O5/c1-5-40-24-14-21(31)20(30)13-19(24)27(37)32-17-29(2,3)15-25(36)33-26-23(16-39-4)34-12-8-10-18-9-6-7-11-22(18)35(34)28(26)38/h6-7,9,11,13-14H,5,8,10,12,15-17H2,1-4H3,(H,32,37)(H,33,36)","","2024-03-08","2024-05-10","5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide","2024-05-15"],["IK0","(4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide","C19 H26 N8 O","Cn1nc(nc1CCc1cc(C(=O)NC)c2nc(C)c(C)n2n1)N1CCCC1;CNC(=O)c1cc(CCc2nc(nn2C)N3CCCC3)nn4c(C)c(C)nc14;Cc1c(n2c(n1)c(cc(n2)CCc3nc(nn3C)N4CCCC4)C(=O)NC)C","InChI=1S/C19H26N8O/c1-12-13(2)27-17(21-12)15(18(28)20-3)11-14(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-10H2,1-4H3,(H,20,28)","","2022-01-26","2022-10-07","(4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide","2022-10-12"],["A1H5Y","(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol","C17 H23 N3 O7","OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3ccccc3;c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCC(CO)O)CO)O)O","InChI=1S/C17H23N3O7/c21-7-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)20-6-12(18-19-20)10-4-2-1-3-5-10/h1-6,11,13-17,21-25H,7-9H2/t11-,13+,14-,15+,16+,17-/m0/s1","","2024-03-11","2024-11-08","(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol","2024-11-13"],["IK1","5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE","C12 H11 N3 O2 S","O=C(Nc1sc(cc1C(=O)N)c2ccccc2)N;NC(=O)Nc1sc(cc1C(N)=O)c2ccccc2;c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N","InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)","","2013-02-22","2014-09-05","2-(carbamoylamino)-5-phenylthiophene-3-carboxamide","2013-04-10"],["A1H5Z","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)-6-[[(3~{S})-piperidin-3-yl]methoxy]oxane-3,4-diol","C20 H28 N4 O5","OC[CH]1O[CH](OC[CH]2CCCNC2)[CH]([CH](O)[CH]1O)n3cc(nn3)c4ccccc4;c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCC4CCCNC4)CO)O)O","InChI=1S/C20H28N4O5/c25-11-16-18(26)19(27)17(20(29-16)28-12-13-5-4-8-21-9-13)24-10-15(22-23-24)14-6-2-1-3-7-14/h1-3,6-7,10,13,16-21,25-27H,4-5,8-9,11-12H2/t13-,16+,17-,18+,19+,20-/m0/s1","","2024-03-11","2024-11-08","(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)-6-[[(3~{S})-piperidin-3-yl]methoxy]oxane-3,4-diol","2024-11-13"],["IK2","4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE","C10 H15 N2 O8 P","O=P(O)(O)OCc1cnc(c(O)c1CNOCC(=O)O)C;Cc1ncc(CO[P](O)(O)=O)c(CNOCC(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O","InChI=1S/C10H15N2O8P/c1-6-10(15)8(3-12-19-5-9(13)14)7(2-11-6)4-20-21(16,17)18/h2,12,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)","","1999-07-08","2011-06-04","{[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]oxy}acetic acid",""],["IK3","(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide","C14 H18 N2 O3","CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C;CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC=C","InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1","","2022-03-22","2022-11-18","(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide","2022-11-23"],["A1H6A","adamantane-1-carboxylic acid","C11 H16 O2","OC(=O)C12CC3CC(CC(C3)C1)C2;C1C2CC3CC1CC(C2)(C3)C(=O)O","InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-","","2024-03-14","2025-03-21","adamantane-1-carboxylic acid","2025-03-26"],["IK4","N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid","C23 H20 N2 O7 S","O=C(O)C(NS(=O)(=O)c3ccc2c(cc(OCc1ccc(C#N)cc1)cc2)c3)CCC(=O)O;OC(=O)CC[CH](N[S](=O)(=O)c1ccc2ccc(OCc3ccc(cc3)C#N)cc2c1)C(O)=O;c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)NC(CCC(=O)O)C(=O)O)C#N","InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-17-6-8-20(12-18(17)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1","","2011-12-19","2014-09-05","N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid",""],["A1H6E","7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine","C28 H27 Cl2 N3 O2 S2","Clc1sc2cc(ccc2n1)[S](=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(Cl)c5)c6ccccc6;c1ccc(cc1)c2ccc(cc2Cl)CNC3CC4(C3)CCN(CC4)S(=O)(=O)c5ccc6c(c5)sc(n6)Cl","InChI=1S/C28H27Cl2N3O2S2/c29-24-14-19(6-8-23(24)20-4-2-1-3-5-20)18-31-21-16-28(17-21)10-12-33(13-11-28)37(34,35)22-7-9-25-26(15-22)36-27(30)32-25/h1-9,14-15,21,31H,10-13,16-18H2","GW2331","2024-03-20","2024-04-26","7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine","2024-05-01"],["IK5","(3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","C21 H21 F3 N6 O2 S","CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4N)C(F)(F)F;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4N)C(F)(F)F)O","InChI=1S/C21H21F3N6O2S/c1-3-6-30(2)9-17-27-16(10-33-17)20(31)8-15(26-11-20)19-28-18(29-32-19)13-5-4-12(7-14(13)25)21(22,23)24/h1,4-5,7,10,15,26,31H,6,8-9,11,25H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","2024-08-07"],["A1H6F","~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine","C30 H32 Cl N3 O2 S","Cc1cnc2c(cccc2[S](=O)(=O)N3CCC(CCNCc4ccc(c(Cl)c4)c5ccccc5)CC3)c1;Cc1cc2cccc(c2nc1)S(=O)(=O)N3CCC(CC3)CCNCc4ccc(c(c4)Cl)c5ccccc5","InChI=1S/C30H32ClN3O2S/c1-22-18-26-8-5-9-29(30(26)33-20-22)37(35,36)34-16-13-23(14-17-34)12-15-32-21-24-10-11-27(28(31)19-24)25-6-3-2-4-7-25/h2-11,18-20,23,32H,12-17,21H2,1H3","SCH66336","2024-03-20","2024-04-26","~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine","2024-05-01"],["IK6","5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide","C21 H19 N7 O2","O=C(Nc1ccn2cc(nc2n1)c1ccccc1)c1cnn(C)c1C(=O)N1CCC1;Cn1ncc(C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)c1C(=O)N5CCC5;Cn1c(c(cn1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C(=O)N5CCC5","InChI=1S/C21H19N7O2/c1-26-18(20(30)27-9-5-10-27)15(12-22-26)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29)","","2022-01-26","2025-07-25","5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide","2022-10-12"],["IK7","Ridinilazole","C24 H16 N6","[nH]1c2ccc(cc2nc1c3ccncc3)c4ccc5[nH]c(nc5c4)c6ccncc6;c1cc2c(cc1c3ccc4c(c3)nc([nH]4)c5ccncc5)nc([nH]2)c6ccncc6","InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)","2-pyridin-4-yl-5-(2-pyridin-4-yl-1H-benzimidazol-5-yl)-1H-benzimidazole","2022-03-25","2023-03-24","2-pyridin-4-yl-5-(2-pyridin-4-yl-1~{H}-benzimidazol-5-yl)-1~{H}-benzimidazole","2023-03-29"],["A1H6R","(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol","C17 H28 N2 O S","O[CH](C1CCCCC1)C2=C(S[CH]3CNCN23)C4CCCC4;C1CCC(CC1)C(C2=C(SC3N2CNC3)C4CCCC4)O","InChI=1S/C17H28N2OS/c20-16(12-6-2-1-3-7-12)15-17(13-8-4-5-9-13)21-14-10-18-11-19(14)15/h12-14,16,18,20H,1-11H2/t14-,16+/m1/s1","","2024-03-26","2025-02-28","(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol","2025-03-05"],["A1H6U","(~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol","C14 H18 N2 O","O[CH](C1CCCCC1)c2cccc3cncn23;c1cc2cncn2c(c1)C(C3CCCCC3)O","InChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13/h4,7-11,14,17H,1-3,5-6H2","","2024-03-26","2025-02-28","(~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol","2025-03-05"],["IK8","1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)\n-1H-PYRAZOLE-5-CARBOXAMIDE","C24 H20 F4 N8 O2","Fc2cc(n1ccnc1CN(C)C)ccc2NC(=O)c5cc(nn5c4cc3c(onc3N)cc4)C(F)(F)F;CN(C)Cc1nccn1c2ccc(NC(=O)c3cc(nn3c4ccc5onc(N)c5c4)C(F)(F)F)c(F)c2;CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F","InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)","1-(3'-AMINOBENZISOXAZOL-5'-YL)-3-TRIFLUOROMETHYL-N-[2-FLUORO-4-[(2'-DIMETHYLAMINOMETHYL)IMIDAZOL-1-YL]PHENYL]-1H-PYRAZO\nLE-5-CARBOXYAMIDE; razaxaban; DPC906; BMS-561389","2005-04-06","2020-06-17","1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide",""],["IK9","2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol","C19 H17 F N6 O3","Fc3cc2N=C(N1C(=NC(=[N@H])N1)c2c(NCCO)c3)Cc4ccc5OCOc5c4;OCCNc1cc(F)cc2N=C(Cc3ccc4OCOc4c3)N5NC(=N)N=C5c12;c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2","InChI=1S/C19H17FN6O3/c20-11-7-12(22-3-4-27)17-13(8-11)23-16(26-18(17)24-19(21)25-26)6-10-1-2-14-15(5-10)29-9-28-14/h1-2,5,7-8,22,27H,3-4,6,9H2,(H2,21,25)","","2014-04-03","2014-07-03","2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol","2014-07-08"],["A1H6Y","1-bromanyl-4-methylsulfonyl-benzene","C7 H7 Br O2 S","C[S](=O)(=O)c1ccc(Br)cc1;CS(=O)(=O)c1ccc(cc1)Br","InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3","","2024-03-27","2024-11-01","1-bromanyl-4-methylsulfonyl-benzene","2024-11-06"],["IKA","(3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C21 H20 F3 N5 O2 S","CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4)C(F)(F)F;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4)C(F)(F)F)O","InChI=1S/C21H20F3N5O2S/c1-3-8-29(2)10-17-26-16(11-32-17)20(30)9-15(25-12-20)19-27-18(28-31-19)13-4-6-14(7-5-13)21(22,23)24/h1,4-7,11,15,25,30H,8-10,12H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2024-08-07"],["A1H6Z","(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanal","C8 H11 N3 O2","N[CH](Cc1ccc(N)nc1)C(O)=O;c1cc(ncc1CC(C(=O)O)N)N","InChI=1S/C8H11N3O2/c9-6(8(12)13)3-5-1-2-7(10)11-4-5/h1-2,4,6H,3,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1","","2024-03-27","2025-02-21","(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanoic acid","2025-02-26"],["IKB","(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","C17 H24 N8","Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CCCCC1;Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N4CCCCC4;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4CCCCC4)C","InChI=1S/C17H24N8/c1-12-11-18-13(2)16-19-14(21-25(12)16)7-8-15-20-17(22-23(15)3)24-9-5-4-6-10-24/h11H,4-10H2,1-3H3","","2022-01-26","2022-10-07","(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["A1H7A","(2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","C28 H38 N2 O6 S","COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4sc(C)nc4;Cc1ncc(s1)COC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4","InChI=1S/C28H38N2O6S/c1-18-29-16-21(37-18)17-36-28(32)22-12-8-9-13-30(22)27(31)25(19-10-6-5-7-11-19)20-14-23(33-2)26(35-4)24(15-20)34-3/h14-16,19,22,25H,5-13,17H2,1-4H3/t22-,25-/m0/s1","","2024-03-28","2024-06-07","(2-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","2024-06-12"],["IKC","~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide","C25 H20 N6 O3 S2","Oc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2;c1ccc(cc1)CCN2C(=O)c3c(nccn3)N=C2SCC(=O)Nc4nc(cs4)c5cccc(c5)O","InChI=1S/C25H20N6O3S2/c32-18-8-4-7-17(13-18)19-14-35-24(28-19)29-20(33)15-36-25-30-22-21(26-10-11-27-22)23(34)31(25)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14,32H,9,12,15H2,(H,28,29,33)","","2022-03-28","2022-08-26","~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide","2022-08-31"],["IKD","2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile","C19 H21 N7","CC(C)(C)c1cc([nH]n1)Nc2ccnc(Nc3ccc(CC#N)cc3)n2;CC(C)(C)c1cc([nH]n1)Nc2ccnc(n2)Nc3ccc(cc3)CC#N","InChI=1S/C19H21N7/c1-19(2,3)15-12-17(26-25-15)23-16-9-11-21-18(24-16)22-14-6-4-13(5-7-14)8-10-20/h4-7,9,11-12H,8H2,1-3H3,(H3,21,22,23,24,25,26)","","2023-08-01","2023-08-11","2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile","2023-08-16"],["A1H7B","(4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","C28 H38 N2 O6 S","COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4scnc4C;Cc1c(scn1)COC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4","InChI=1S/C28H38N2O6S/c1-18-24(37-17-29-18)16-36-28(32)21-12-8-9-13-30(21)27(31)25(19-10-6-5-7-11-19)20-14-22(33-2)26(35-4)23(15-20)34-3/h14-15,17,19,21,25H,5-13,16H2,1-4H3/t21-,25-/m0/s1","","2024-03-28","2024-06-07","(4-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","2024-06-12"],["A1H7E","[1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","C29 H41 N3 O7","COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(CCO)c4;COc1cc(cc(c1OC)OC)C(C2CCCCC2)C(=O)N3CCCCC3C(=O)OCc4cnn(c4)CCO","InChI=1S/C29H41N3O7/c1-36-24-15-22(16-25(37-2)27(24)38-3)26(21-9-5-4-6-10-21)28(34)32-12-8-7-11-23(32)29(35)39-19-20-17-30-31(18-20)13-14-33/h15-18,21,23,26,33H,4-14,19H2,1-3H3/t23-,26-/m0/s1","","2024-03-28","2024-06-07","[1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","2024-06-12"],["IKE","N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide","C19 H17 N7 O2","O=C(NC)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;CNC(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4;CNC(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C","InChI=1S/C19H17N7O2/c1-20-17(27)13-10-21-25(2)16(13)18(28)23-15-8-9-26-11-14(22-19(26)24-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,27)(H,22,23,24,28)","","2022-01-26","2022-10-07","N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["A1H7F","(1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","C29 H41 N3 O6","CCn1cc(COC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)cn1;CCn1cc(cn1)COC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4","InChI=1S/C29H41N3O6/c1-5-31-18-20(17-30-31)19-38-29(34)23-13-9-10-14-32(23)28(33)26(21-11-7-6-8-12-21)22-15-24(35-2)27(37-4)25(16-22)36-3/h15-18,21,23,26H,5-14,19H2,1-4H3/t23-,26-/m0/s1","","2024-03-28","2024-06-07","(1-ethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","2024-06-12"],["IKF","phenylsulfinylmethylbenzene","C13 H12 O S","O=[S](Cc1ccccc1)c2ccccc2;c1ccc(cc1)CS(=O)c2ccccc2","InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1","","2022-03-28","2023-02-17","phenylsulfinylmethylbenzene","2023-02-22"],["A1H7Q","1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one","C13 H17 N O","CCC(=O)N1CCC[CH]1c2ccccc2;CCC(=O)N1CCCC1c2ccccc2","InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1","","2024-04-04","2025-04-11","1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one","2025-04-16"],["IKG","~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide","C24 H23 N5 O5","COc1ccc(cc1OC)c2noc(n2)C(=O)N[CH](Cc3ccc(cc3)C(=O)N4CCC4)C#N;COc1ccc(cc1OC)c2nc(on2)C(=O)NC(Cc3ccc(cc3)C(=O)N4CCC4)C#N","InChI=1S/C24H23N5O5/c1-32-19-9-8-17(13-20(19)33-2)21-27-23(34-28-21)22(30)26-18(14-25)12-15-4-6-16(7-5-15)24(31)29-10-3-11-29/h4-9,13,18H,3,10-12H2,1-2H3,(H,26,30)/t18-/m1/s1","ACV thioaldehyde","2023-08-01","2023-11-17","~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide","2023-11-22"],["IKH","{(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol","C20 H17 N5 O","Cn1cc(nc1C#Cc1ccc2nc(C)c(CO)n2n1)c1ccccc1;Cn1cc(nc1C#Cc2ccc3nc(C)c(CO)n3n2)c4ccccc4;Cc1c(n2c(n1)ccc(n2)C#Cc3nc(cn3C)c4ccccc4)CO","InChI=1S/C20H17N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,13H2,1-2H3","","2022-01-26","2022-10-07","{(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol","2022-10-12"],["A1H7R","(2S)-1-(4-bromophenyl)propan-2-amine","C9 H12 Br N","C[CH](N)Cc1ccc(Br)cc1;CC(Cc1ccc(cc1)Br)N","InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3","N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)","2024-04-05","2025-03-21","(2~{S})-1-(4-bromophenyl)propan-2-amine","2025-03-26"],["A1H7U","(1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","C29 H41 N3 O6","COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4C;Cc1c(cnn1C)COC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4","InChI=1S/C29H41N3O6/c1-19-22(17-30-31(19)2)18-38-29(34)23-13-9-10-14-32(23)28(33)26(20-11-7-6-8-12-20)21-15-24(35-3)27(37-5)25(16-21)36-4/h15-17,20,23,26H,6-14,18H2,1-5H3/t23-,26-/m0/s1","","2024-04-05","2024-06-07","(1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate","2024-06-12"],["IKJ","(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid","C13 H21 B N O2 P","B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2;BP1(CCCC1)c2ccc(cc2)CC(C(=O)O)N","InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1","P3F","2022-07-07","2024-09-27","(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid","2023-07-26"],["IKK","N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","C22 H22 Cl N7 O","Clc1cnc(cc1)N1CCC(C1)NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1;Clc1ccc(nc1)N2CC[CH](C2)NC(=O)c3nc(ccc3Nc4cncnc4)C5CC5;c1cc(ncc1Cl)N2CCC(C2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5","InChI=1S/C22H22ClN7O/c23-15-3-6-20(26-9-15)30-8-7-16(12-30)28-22(31)21-19(27-17-10-24-13-25-11-17)5-4-18(29-21)14-1-2-14/h3-6,9-11,13-14,16,27H,1-2,7-8,12H2,(H,28,31)/t16-/m1/s1","","2022-01-26","2022-10-07","N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide","2022-10-12"],["A1H7V","(2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol","C18 H35 F O5","CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F;CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)F","InChI=1S/C18H35FO5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-15(19)17(22)16(21)14(13-20)24-18/h14-18,20-22H,2-13H2,1H3/t14-,15-,16-,17-,18-/m1/s1","N-[1-[(2R,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide","2024-04-05","2025-02-21","(2~{R},3~{S},4~{S},5~{R},6~{R})-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol","2025-02-26"],["IKL","2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide","C20 H22 N4 O2","Cc1cc(C)n(n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2;Cc1cc(n(n1)c2ccc(cc2)CC(=O)Nc3c4c(on3)CCCC4)C","InChI=1S/C20H22N4O2/c1-13-11-14(2)24(22-13)16-9-7-15(8-10-16)12-19(25)21-20-17-5-3-4-6-18(17)26-23-20/h7-11H,3-6,12H2,1-2H3,(H,21,23,25)","","2022-03-29","2023-06-30","2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide","2023-07-05"],["A1H7Y","4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide","C26 H22 N4 O3","Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4;Cc1ccc(cc1c2c(n(cn2)C)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccccc5","InChI=1S/C26H22N4O3/c1-16-8-9-18(26(32)28-19-6-4-3-5-7-19)12-20(16)24-25(30(2)15-27-24)17-10-11-21-22(13-17)33-14-23(31)29-21/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31)","","2024-04-09","2024-05-24","4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide","2024-05-29"],["IKM","(4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid","C12 H14 N2 O6","O=C(O)C3NC(=O)C2C3(OC1C=CCNC12)CC(=O)O;OC(=O)C[C]12O[CH]3C=CCN[CH]3[CH]1C(=O)N[CH]2C(O)=O;C1C=CC2C(N1)C3C(=O)NC(C3(O2)CC(=O)O)C(=O)O","InChI=1S/C12H14N2O6/c15-6(16)4-12-7(10(17)14-9(12)11(18)19)8-5(20-12)2-1-3-13-8/h1-2,5,7-9,13H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t5-,7+,8+,9-,12+/m0/s1","IKM-159","2013-01-23","2021-03-01","(4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid","2013-03-20"],["A1H7Z","7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one","C25 H27 N3 O3","Cc1onc(c2cc(CN3CCCCC3)ccc2C)c1c4ccc5NC(=O)COc5c4;Cc1ccc(cc1c2c(c(on2)C)c3ccc4c(c3)OCC(=O)N4)CN5CCCCC5","InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29)","","2024-04-09","2024-05-24","7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one","2024-05-29"],["IKN","(3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","C20 H22 N6 O2 S","CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccccc4N;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccccc4N)O","InChI=1S/C20H22N6O2S/c1-3-8-26(2)10-17-23-16(11-29-17)20(27)9-15(22-12-20)19-24-18(25-28-19)13-6-4-5-7-14(13)21/h1,4-7,11,15,22,27H,8-10,12,21H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol","2024-08-07"],["IKO","N-cyclopropyl-5-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl}-N,1-dimethyl-1H-1,2,4-triazol-3-amine","C16 H22 N8","CN(c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1)C1CC1;Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N(C)C4CC4;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N(C)C4CC4)C","InChI=1S/C16H22N8/c1-10-9-17-11(2)15-18-13(20-24(10)15)7-8-14-19-16(21-23(14)4)22(3)12-5-6-12/h9,12H,5-8H2,1-4H3","","2022-01-26","2022-10-07","N-cyclopropyl-5-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl}-N,1-dimethyl-1H-1,2,4-triazol-3-amine","2022-10-12"],["A1H8C","5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C22 H25 N11","CCN(CCN)c1ccc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)cc1n5cnnc5;CCN(CCN)c1ccc(cc1n2cnnc2)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C22H25N11/c1-2-31(8-7-23)18-6-5-17(9-19(18)32-13-25-26-14-32)28-20-10-21(29-16-3-4-16)33-22(30-20)15(11-24)12-27-33/h5-6,9-10,12-14,16,29H,2-4,7-8,23H2,1H3,(H,28,30)","","2024-04-12","2024-07-26","5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2024-07-31"],["IKQ","(6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one","C19 H22 O3","O=C1C=C(O)CC(/C=C/C2CCCCC2c2ccccc2)O1;OC1=CC(=O)O[CH](C1)C=C[CH]2CCCC[CH]2c3ccccc3;c1ccc(cc1)C2CCCCC2C=CC3CC(=CC(=O)O3)O","InChI=1S/C19H22O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,15,17-18,20H,4-5,8-9,12H2/b11-10+/t15-,17+,18-/m1/s1","","2023-05-05","2023-06-09","(6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one","2023-06-14"],["IKR","methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate","C19 H20 I N O4","O=C(OC)C(=NOC)c1c(cccc1)COc2cc(c(I)cc2C)C;CON=C(C(=O)OC)c1ccccc1COc2cc(C)c(I)cc2C;Cc1cc(c(cc1I)C)OCc2ccccc2C(=NOC)C(=O)OC","InChI=1S/C19H20INO4/c1-12-10-17(13(2)9-16(12)20)25-11-14-7-5-6-8-15(14)18(21-24-4)19(22)23-3/h5-10H,11H2,1-4H3/b21-18+","","2009-04-13","2011-06-04","methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate",""],["A1H8Q","~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide","C8 H9 N5 O S","CCn1nnc(NC(=O)c2sccc2)n1;CCn1nc(nn1)NC(=O)c2cccs2","InChI=1S/C8H9N5OS/c1-2-13-11-8(10-12-13)9-7(14)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,9,11,14)","","2024-04-18","2025-04-25","~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide","2025-04-30"],["IKS","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate","C9 H14 N3 O7 P Se","NC1=NC(=O)N(C=C1)[CH]2[Se][CH](CO[P](O)(O)=O)[CH](O)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C([Se]2)COP(=O)(O)O)O)O","InChI=1S/C9H14N3O7PSe/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2022-07-07","2023-04-28","[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate","2023-05-03"],["A1H8R","[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methanamine","C8 H10 B N O2","NC[CH]1O[B-](O)c2ccccc12;[B-]1(c2ccccc2C(O1)CN)O","InChI=1S/C8H11BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8-9,11H,5,10H2/q-1/t8-,9-/m1/s1","","2024-04-18","2025-08-01","[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methanamine","2025-08-06"],["IKT","3-(1-AMINOETHYL)NONANEDIOIC ACID","C11 H21 N O4","O=C(O)CCCCCC(C(N)C)CC(=O)O;C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O;CC(C(CCCCCC(=O)O)CC(=O)O)N","InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1","","1999-07-08","2011-06-04","(3S)-3-[(1S)-1-aminoethyl]nonanedioic acid",""],["IKU","(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine","C17 H24 N8","Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CCCC1C;C[CH]1CCCN1c2nn(C)c(CCc3nn4c(C)cnc(C)c4n3)n2;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4CCCC4C)C","InChI=1S/C17H24N8/c1-11-6-5-9-24(11)17-20-15(23(4)22-17)8-7-14-19-16-13(3)18-10-12(2)25(16)21-14/h10-11H,5-9H2,1-4H3","","2022-01-26","2022-10-07","(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["A1H8U","[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid","C13 H14 N O5 P S","Oc1ccccc1[CH](NC(=O)Cc2cscc2)[P](O)(O)=O;c1ccc(c(c1)C(NC(=O)Cc2ccsc2)P(=O)(O)O)O","InChI=1S/C13H14NO5PS/c15-11-4-2-1-3-10(11)13(20(17,18)19)14-12(16)7-9-5-6-21-8-9/h1-6,8,13,15H,7H2,(H,14,16)(H2,17,18,19)/t13-/m0/s1","","2024-04-20","2025-04-25","[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid","2025-04-30"],["IKV","[(2~{R})-2-hexadecanoyloxy-3-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propyl] hexadecanoate","C41 H78 O10","CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC","InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3/t34-,35-,38-,39+,40-,41-/m0/s1","","2022-03-29","2023-02-03","[(2~{R})-2-hexadecanoyloxy-3-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propyl] hexadecanoate","2023-02-08"],["A1H8V","[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid","C16 H18 N O5 P S","Oc1ccccc1[CH](NC(=O)c2scc3CCCCc23)[P](O)(O)=O;c1ccc(c(c1)C(NC(=O)c2c3c(cs2)CCCC3)P(=O)(O)O)O","InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1","","2024-04-20","2025-04-25","[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid","2025-04-30"],["A1H8X","4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide","C26 H28 F N3 O5 S","CC(C)(CO)N[S](=O)(=O)c1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccc(F)cc3)cc1;CC(C)(CO)NS(=O)(=O)c1ccc(cc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccc(cc3)F","InChI=1S/C26H28FN3O5S/c1-26(2,17-31)30-36(34,35)22-14-12-21(13-15-22)28-25(33)23(16-18-6-4-3-5-7-18)29-24(32)19-8-10-20(27)11-9-19/h3-15,23,30-31H,16-17H2,1-2H3,(H,28,33)(H,29,32)","NK036 USP30 inhibitor","2024-04-20","2025-03-14","4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide","2025-03-19"],["IKW","(3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol","C20 H21 N5 O2 S","CN(CC#C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccccc4;CN(CC#C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccccc4)O","InChI=1S/C20H21N5O2S/c1-3-9-25(2)11-17-22-16(12-28-17)20(26)10-15(21-13-20)19-23-18(24-27-19)14-7-5-4-6-8-14/h1,4-8,12,15,21,26H,9-11,13H2,2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol","2024-08-07"],["A1H8Y","1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea","C30 H43 N3 O5","COc1cc2[CH]3CC4(C)C[CH](CC(C3)(C4)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6)c2cc1OC;CC12CC3CC(C1)(CC(C2)c4c3cc(c(c4)OC)OC)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6","InChI=1S/C30H43N3O5/c1-29-14-20-16-30(18-29,17-21(15-29)24-13-26(37-3)25(36-2)12-23(20)24)32-28(35)31-22-4-8-33(9-5-22)27(34)19-6-10-38-11-7-19/h12-13,19-22H,4-11,14-18H2,1-3H3,(H2,31,32,35)/t20-,21+,29-,30-","","2024-04-20","2025-04-25","","2025-04-30"],["IKX","4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid","C11 H12 N4 O5","O=C(O)c2nc(C(=O)O)cc(N1C=C(NN1)CCO)c2;OCCC1=CN(NN1)c2cc(nc(c2)C(O)=O)C(O)=O;c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO","InChI=1S/C11H12N4O5/c16-2-1-6-5-15(14-13-6)7-3-8(10(17)18)12-9(4-7)11(19)20/h3-5,13-14,16H,1-2H2,(H,17,18)(H,19,20)","","2012-09-14","2014-09-05","4-[4-(2-hydroxyethyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid","2012-11-09"],["IKY","N-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE","C11 H7 F3 N2 O3","FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO;ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F;c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F","InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(5-19-10)9(17)16-18/h1-5,18H,(H,16,17)","","2011-11-09","2014-05-22","N-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide",""],["IKZ","1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(pyridin-2-yl)methyl]-1H-pyrazole-4,5-dicarboxamide","C24 H20 N8 O2","O=C(NCc1ccccn1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1;Cn1ncc(C(=O)NCc2ccccn2)c1C(=O)Nc3ccn4cc(nc4n3)c5ccccc5;Cn1c(c(cn1)C(=O)NCc2ccccn2)C(=O)Nc3ccn4cc(nc4n3)c5ccccc5","InChI=1S/C24H20N8O2/c1-31-21(18(14-27-31)22(33)26-13-17-9-5-6-11-25-17)23(34)29-20-10-12-32-15-19(28-24(32)30-20)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,26,33)(H,28,29,30,34)","","2022-01-26","2022-10-07","1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(pyridin-2-yl)methyl]-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["A1H9B","(R)-2-(2-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate","C32 H26 N2 O7 S","COc1ccc(cc1)[S](=O)(=O)N2CCc3ccc(cc3C2)[CH](NC(=O)c4cccc5C(=O)c6ccccc6c45)C(O)=O;COc1ccc(cc1)S(=O)(=O)N2CCc3ccc(cc3C2)C(C(=O)O)NC(=O)c4cccc5c4-c6ccccc6C5=O","InChI=1S/C32H26N2O7S/c1-41-22-11-13-23(14-12-22)42(39,40)34-16-15-19-9-10-20(17-21(19)18-34)29(32(37)38)33-31(36)27-8-4-7-26-28(27)24-5-2-3-6-25(24)30(26)35/h2-14,17,29H,15-16,18H2,1H3,(H,33,36)(H,37,38)/t29-/m1/s1","(2~{R})-2-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid","2024-04-24","2024-10-25","(2~{R})-2-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid","2024-10-30"],["IL0","(2S,3S)-2-amino-3-methylpentane-1,1-diol","C6 H15 N O2","OC(O)C(N)C(C)CC;CC[CH](C)[CH](N)C(O)O;CCC(C)C(C(O)O)N","InChI=1S/C6H15NO2/c1-3-4(2)5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t4-,5-/m0/s1","","2011-02-18","2024-09-27","(2S,3S)-2-amino-3-methylpentane-1,1-diol",""],["IL1","4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid","C42 H35 N11 O9","CC(C)Oc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)[CH](Cc3c[nH]nn3)NC(=O)c4ccc(NC(=O)c5ccc(cc5)C#N)cn4)cn2)C(=O)Nc6ccc(cc6)C(O)=O;CC(C)Oc1c(ccc(c1O)C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)c3ccc(cn3)NC(=O)C(Cc4c[nH]nn4)NC(=O)c5ccc(cn5)NC(=O)c6ccc(cc6)C#N","InChI=1S/C42H35N11O9/c1-22(2)62-36-31(16-13-30(35(36)54)38(56)47-26-9-7-25(8-10-26)42(60)61)50-39(57)32-15-12-28(20-45-32)49-41(59)34(17-29-21-46-53-52-29)51-40(58)33-14-11-27(19-44-33)48-37(55)24-5-3-23(18-43)4-6-24/h3-16,19-22,34,54H,17H2,1-2H3,(H,47,56)(H,48,55)(H,49,59)(H,50,57)(H,51,58)(H,60,61)(H,46,52,53)/t34-/m0/s1","","2022-03-30","2023-02-10","4-[[4-[[5-[[(2~{S})-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid","2023-02-15"],["A1H9F","(2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C37 H52 F N5 O5 S2","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)SCC4CCC(CC4)CN5CCOCC5)NC(=O)C6(CC6)F)O","InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27-,29-,30+,32-/m1/s1","","2024-04-24","2024-08-23","(2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2024-08-28"],["IL2","(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid","C22 H32 O4","O=C(O)CCCC=C1/CC2CC(O)C(/C=C/C(O)C(C)CC#CC)C2C1;CC#CC[CH](C)[CH](O)C=C[CH]1[CH](O)C[CH]2CC(C[CH]12)=CCCCC(O)=O;CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O","InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17+,18-,19+,20-,21-/m1/s1","","2011-07-08","2011-07-15","(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid",""],["A1H9Q","~{N}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline","C20 H27 N3 O","COc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1;CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3)OC","InChI=1S/C20H27N3O/c1-22-11-13-23(14-12-22)16-18-3-7-19(8-4-18)21-15-17-5-9-20(24-2)10-6-17/h3-10,21H,11-16H2,1-2H3","","2024-04-29","2024-09-27","~{N}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline","2024-10-02"],["A1H9R","~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide","C11 H17 N3 O","Cn1cc(C(=O)NCC2CCC2)c(C)n1;Cc1c(cn(n1)C)C(=O)NCC2CCC2","InChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)","","2024-04-29","2024-05-03","~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide","2024-05-08"],["IL3","1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene","C11 H14 N2 O3 S","CC#CCOc1ccc(CN[S](N)(=O)=O)cc1;CC#CCOc1ccc(cc1)CNS(=O)(=O)N","InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15)","","2014-03-03","2014-10-03","1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene","2014-10-08"],["IL4","(3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C21 H24 F3 N5 O2 S","CCCN(C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4)C(F)(F)F;CCCN(C)Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccc(cc4)C(F)(F)F)O","InChI=1S/C21H24F3N5O2S/c1-3-8-29(2)10-17-26-16(11-32-17)20(30)9-15(25-12-20)19-27-18(28-31-19)13-4-6-14(7-5-13)21(22,23)24/h4-7,11,15,25,30H,3,8-10,12H2,1-2H3/t15-,20-/m1/s1","","2023-08-01","2024-08-02","(3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2024-08-07"],["A1H9U","~{N}-(3-azanyl-2-methyl-phenyl)propanamide","C10 H14 N2 O","CCC(=O)Nc1cccc(N)c1C;CCC(=O)Nc1cccc(c1C)N","InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)","N-(3-amino-2-methylphenyl)propanamide","2024-04-29","2024-05-03","~{N}-(3-azanyl-2-methyl-phenyl)propanamide","2024-05-08"],["IL5","3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide","C7 H6 N2 O5 S2","O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC2=O)N;N[S](=O)(=O)c1ccc2C(=O)N[S](=O)(=O)c2c1;c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O","InChI=1S/C7H6N2O5S2/c8-15(11,12)4-1-2-5-6(3-4)16(13,14)9-7(5)10/h1-3H,(H,9,10)(H2,8,11,12)","","2014-12-22","2015-03-13","3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide","2015-03-18"],["IL6","6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide","C18 H16 F3 N7 O","FC(F)(F)Cn1ccc(NC(=O)c2nc(ccc2Nc2cncnc2)C2CC2)n1;FC(F)(F)Cn1ccc(NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)n1;c1cc(nc(c1Nc2cncnc2)C(=O)Nc3ccn(n3)CC(F)(F)F)C4CC4","InChI=1S/C18H16F3N7O/c19-18(20,21)9-28-6-5-15(27-28)26-17(29)16-14(24-12-7-22-10-23-8-12)4-3-13(25-16)11-1-2-11/h3-8,10-11,24H,1-2,9H2,(H,26,27,29)","","2022-01-26","2022-10-07","6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide","2022-10-12"],["IL7","4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide","C34 H44 Cl N3 O3 Si","CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1;Cc1cc(ccc1C2=C3C=CC(=NC)C=C3[Si](c4c2ccc(c4)N)(C)C)C(=O)NCCOCCOCCCCCCCl","InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+","HaloTag with Me-TRaQ-G ligand","2022-03-31","2024-09-27","4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide","2023-02-01"],["A1HZ2","(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","C16 H18 N2 O6","COc1ccc(C2=NO[C]3(CCC(=O)NC3=O)C2)c(OC)c1OC;COc1ccc(c(c1OC)OC)C2=NOC3(C2)CCC(=O)NC3=O","InChI=1S/C16H18N2O6/c1-21-11-5-4-9(13(22-2)14(11)23-3)10-8-16(24-18-10)7-6-12(19)17-15(16)20/h4-5H,6-8H2,1-3H3,(H,17,19,20)/t16-/m0/s1","","2023-12-12","2024-04-05","(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione","2024-04-10"],["IL8","~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide","C23 H24 N4 O5","COc1ccc(cc1OC)c2noc(n2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4;COc1ccc(cc1OC)c2nc(on2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4","InChI=1S/C23H24N4O5/c1-30-18-9-8-17(14-19(18)31-2)20-25-22(32-26-20)21(28)24-11-10-15-4-6-16(7-5-15)23(29)27-12-3-13-27/h4-9,14H,3,10-13H2,1-2H3,(H,24,28)","","2023-08-01","2023-11-17","~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide","2023-11-22"],["IL9","6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","C21 H25 N9 O3","O=C(Nc1cnn(C)c1C(=O)NCC(C)(C)O)c1nc(cnc1Nc1cncnc1)C1CC1;Cn1ncc(NC(=O)c2nc(cnc2Nc3cncnc3)C4CC4)c1C(=O)NCC(C)(C)O;CC(C)(CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)C3CC3)Nc4cncnc4)O","InChI=1S/C21H25N9O3/c1-21(2,33)10-25-20(32)17-15(9-26-30(17)3)29-19(31)16-18(27-13-6-22-11-23-7-13)24-8-14(28-16)12-4-5-12/h6-9,11-12,33H,4-5,10H2,1-3H3,(H,24,27)(H,25,32)(H,29,31)","","2022-01-26","2022-10-07","6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide","2022-10-12"],["ILA","N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE","C16 H26 N8 O6 S","O=C(NS(=O)(=O)NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)CC;CC[CH](C)[CH](N)C(=O)N[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCC(C)C(C(=O)NS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C16H26N8O6S/c1-3-7(2)9(17)15(27)23-31(28,29)22-4-8-11(25)12(26)16(30-8)24-6-21-10-13(18)19-5-20-14(10)24/h5-9,11-12,16,22,25-26H,3-4,17H2,1-2H3,(H,23,27)(H2,18,19,20)/t7-,8+,9-,11+,12+,16+/m0/s1","","2001-10-17","2011-06-04","5'-deoxy-5'-[(L-isoleucylsulfamoyl)amino]adenosine",""],["ILB","2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID","C20 H14 F5 N O4","O=C(C1=C(C(=O)O)CCC1)Nc3c(F)cc(c2cccc(OC(F)(F)F)c2)cc3F;OC(=O)C1=C(CCC1)C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)F)c3;c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F","InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)","","2006-01-18","2011-06-04","2-{[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid",""],["ILC","3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID","C19 H14 F N O4 S","O=C(O)c3sccc3C(=O)Nc2ccc(c1cccc(OC)c1)cc2F;COc1cccc(c1)c2ccc(NC(=O)c3ccsc3C(O)=O)c(F)c2;COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O","InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)","","2006-01-26","2011-06-04","3-[(3-fluoro-3'-methoxybiphenyl-4-yl)carbamoyl]thiophene-2-carboxylic acid",""],["ILD","(4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one","C29 H43 N O6","O=C2OC(c1ccccc1)C(N2C(=O)C(C4OC(C3OC(CC3)(C(O)C)CC)(CC)CC4C)CC)C;CC[CH]([CH]1O[C](CC)(C[CH]1C)[CH]2CC[C](CC)(O2)[CH](C)O)C(=O)N3[CH](C)[CH](OC3=O)c4ccccc4;CCC(C1C(CC(O1)(CC)C2CCC(O2)(CC)C(C)O)C)C(=O)N3C(C(OC3=O)c4ccccc4)C","InChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24-18(4)17-29(9-3,36-24)23-15-16-28(8-2,35-23)20(6)31/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20-,22+,23+,24-,25+,28+,29-/m0/s1","","2011-04-13","2012-03-02","(4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one",""],["ILE","ISOLEUCINE","C6 H13 N O2","O=C(O)C(N)C(C)CC;CC[CH](C)[CH](N)C(O)=O;CCC(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1","","1999-07-08","2023-11-03","L-isoleucine",""],["ILF","3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID","C19 H10 F5 N O4 S","O=C(O)c3sccc3C(=O)Nc2c(F)cc(c1cccc(OC(F)(F)F)c1)cc2F;OC(=O)c1sccc1C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)F)c3;c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F","InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)","","2006-01-30","2011-06-04","3-{[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}thiophene-2-carboxylic acid",""],["ILG","GLUTAMYL GROUP","C5 H10 N O3","O=CCCC(C(=O)O)[NH3+];[NH3+][CH](CCC=O)C(O)=O;C(CC(C(=O)O)[NH3+])C=O","InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/p+1/t4-/m0/s1","","1999-07-08","2011-12-12","(1S)-1-carboxy-4-oxobutan-1-aminium",""],["ILH","2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID","C20 H10 F7 N O4","O=C(O)C3=C(C(=O)Nc2c(F)c(F)c(c1cccc(OC(F)(F)F)c1)c(F)c2F)C=CC3;OC(=O)C1=C(C=CC1)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3cccc(OC(F)(F)F)c3;c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F","InChI=1S/C20H10F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1-5,7H,6H2,(H,28,29)(H,30,31)","","2006-01-31","2011-06-04","2-{[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopenta-1,3-diene-1-carboxylic acid",""],["ILI","N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE","C27 H32 N4 O6 S","O=S(=O)(c1ncccc1)N4C(C=CC(NC(=O)C(NC(=O)c3oc2ccccc2c3)CC(C)C)C(O)C4)C;CC(C)C[CH](NC(=O)c1oc2ccccc2c1)C(=O)N[CH]3C=C[CH](C)N(C[CH]3O)[S](=O)(=O)c4ccccn4;CC1C=CC(C(CN1S(=O)(=O)c2ccccn2)O)NC(=O)C(CC(C)C)NC(=O)c3cc4ccccc4o3","InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-13,15,17-18,20-22,32H,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+,22+/m1/s1","","2006-02-14","2024-09-27","N-[(1S)-1-{[(3S,4S,7R)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1H-azepin-4-yl]carbamoyl}-3-methylbutyl]-1-benzofuran-2-carboxamide",""],["ILJ","(E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium","C34 H43 Cl N3 O5 Si","C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1;C[NH+]=C1C=CC2=C(c3ccc(cc3[Si](C2=C1)(C)C)N)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl","InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+","HaloTag with TRaQ-G-ctrl ligand","2022-03-31","2024-09-27","(~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium","2023-02-01"],["ILK","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate","C9 H13 N2 O8 P Se","O[CH]1[CH](O)[CH]([Se][CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C([Se]2)COP(=O)(O)O)O)O","InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1","","2022-07-07","2023-04-28","[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate","2023-05-03"],["ILL","4-(aminomethyl)-6-chloroquinolin-2(1H)-one","C10 H9 Cl N2 O","Clc2ccc1c(C(=CC(=O)N1)CN)c2;NCC1=CC(=O)Nc2ccc(Cl)cc12;c1cc2c(cc1Cl)C(=CC(=O)N2)CN","InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-12)3-10(14)13-9/h1-4H,5,12H2,(H,13,14)","","2014-02-26","2015-02-06","4-(aminomethyl)-6-chloroquinolin-2(1H)-one","2015-02-11"],["ILM","methyl L-isoleucinate","C7 H15 N O2","O=C(OC)C(N)C(CC)C;CC[CH](C)[CH](N)C(=O)OC;CCC(C)C(C(=O)OC)N","InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1","","2013-07-30","2024-09-27","methyl L-isoleucinate","2014-05-07"],["ILN","1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","C21 H20 N8 O3","O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)c1ccccc1)N1CCOCC1;Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3cc4nc(nn4cn3)c5ccccc5;Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3cc4nc(nn4cn3)c5ccccc5","InChI=1S/C21H20N8O3/c1-27-18(15(12-23-27)21(31)28-7-9-32-10-8-28)20(30)24-16-11-17-25-19(26-29(17)13-22-16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,24,30)","","2022-01-26","2022-10-07","1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide","2022-10-12"],["ILO","N5-IMINOETHYL-L-ORNITHINE","C7 H15 N3 O2","O=C(O)C(N)CCCNC(=[N@H])C;CC(=N)NCCC[CH](N)C(O)=O;CC(=N)NCCCC(C(=O)O)N","InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1","","2000-02-02","2011-06-04","N~5~-[(1E)-ethanimidoyl]-L-ornithine",""],["ILP","N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE","C14 H23 N2 O7 P","O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(C)CC;CC[CH](C)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O;CCC(C)C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O","InChI=1S/C14H23N2O7P/c1-4-8(2)12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5,8,12,16-17H,4,6-7H2,1-3H3,(H,18,19)(H2,20,21,22)/t8-,12+/m0/s1","","2001-07-09","2012-01-05","N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alloisoleucine",""],["ILQ","(10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide","C35 H42 Cl N5 O4 Si","CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl;CNc1ccc2c(c1)[Si](c3cc(ccc3C24c5cc(ccc5C(=O)N4C#N)C(=O)NCCOCCOCCCCCCCl)N)(C)C","InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1","","2022-04-06","2024-09-27","(10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide","2023-02-01"],["ILR","Spiroimine (+)-4 R","C13 H21 N O2","CC1=NCCC[C]12CCCCC23OCCO3;CC1=NCCCC12CCCCC23OCCO3","InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1","(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene; (R)-(+)-Spiroimine","2023-08-01","2024-03-29","(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene","2024-04-03"],["ILS","4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide","C19 H22 N6 O2","O=C(c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc4ccccc4n3C;Cn1c2ccccc2nc1CCNC(=O)c3c(cnn3C)C(=O)N4CCC4","InChI=1S/C19H22N6O2/c1-23-15-7-4-3-6-14(15)22-16(23)8-9-20-18(26)17-13(12-21-24(17)2)19(27)25-10-5-11-25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)","","2022-01-26","2022-10-07","4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide","2022-10-12"],["ILT","MONOIMIDAZOLE LEXITROPSIN","C17 H25 N11 O3","O=C(c1nc(NC(=O)CNC(=[N@H])N)cn1C)Nc2cc(C(=O)NCCC(=[N@H])N)n(c2)C;Cn1cc(NC(=O)c2nc(NC(=O)CNC(N)=N)cn2C)cc1C(=O)NCCC(N)=N;Cn1cc(cc1C(=O)NCCC(=N)N)NC(=O)c2nc(cn2C)NC(=O)CNC(=N)N","InChI=1S/C17H25N11O3/c1-27-7-9(5-10(27)15(30)22-4-3-11(18)19)24-16(31)14-26-12(8-28(14)2)25-13(29)6-23-17(20)21/h5,7-8H,3-4,6H2,1-2H3,(H3,18,19)(H,22,30)(H,24,31)(H,25,29)(H4,20,21,23)","","1999-07-08","2012-01-25","N-(5-{[(3E)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[(N-carbamimidoylglycyl)amino]-1-methyl-1H-imidazole-2-carboxamide",""],["ILU","[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium","C35 H43 Cl N5 O4 Si","C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2=C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl;C[NH+]=C1C=CC2=C(c3ccc(cc3[Si](C2=C1)(C)C)N)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl","InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)33(29)30-20-24(8-11-27(30)35(43)41-23-37)34(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22H,4-7,14-19,38H2,1-3H3,(H,40,42)(H,41,43)/p+1/b39-26+","","2022-04-06","2024-09-27","[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium","2023-02-01"],["ILV","(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one","C17 H23 N3 O2","CC(C1N(c3c2c(CC(NC1=O)CO)cnc2ccc3)C)C;CC(C)[CH]1N(C)c2cccc3[nH]cc(C[CH](CO)NC1=O)c23;CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3)N1C)CO","InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1","Indolactam V","2015-03-19","2021-03-01","(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one","2016-03-16"],["ILW","1,3,5-trimethoxybenzene","C9 H12 O3","COc1cc(OC)cc(OC)c1;COc1cc(cc(c1)OC)OC","InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3","","2023-08-01","2024-08-09","1,3,5-trimethoxybenzene","2024-08-14"],["ILX","4,5-DIHYDROXYISOLEUCINE","C6 H13 N O4","O=C(O)C(N)C(C)C(O)CO;C[CH]([CH](N)C(O)=O)[CH](O)CO;CC(C(CO)O)C(C(=O)O)N","InChI=1S/C6H13NO4/c1-3(4(9)2-8)5(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1","","2001-10-29","2024-09-27","(2S,3R,4R)-2-amino-4,5-dihydroxy-3-methylpentanoic acid (non-preferred name)",""],["ILY","N~6~-propan-2-yl-L-lysine","C9 H20 N2 O2","O=C(O)C(N)CCCCNC(C)C;CC(C)NCCCC[CH](N)C(O)=O;CC(C)NCCCCC(C(=O)O)N","InChI=1S/C9H20N2O2/c1-7(2)11-6-4-3-5-8(10)9(12)13/h7-8,11H,3-6,10H2,1-2H3,(H,12,13)/t8-/m0/s1","","2012-12-12","2024-09-27","N~6~-propan-2-yl-L-lysine","2013-02-15"],["ILZ","4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide","C21 H24 N6 O2","O=C(c1cnn(C)c1C(=O)NCCc1nc(cn1C)c1ccccc1)N1CCC1;Cn1cc(nc1CCNC(=O)c2n(C)ncc2C(=O)N3CCC3)c4ccccc4;Cn1cc(nc1CCNC(=O)c2c(cnn2C)C(=O)N3CCC3)c4ccccc4","InChI=1S/C21H24N6O2/c1-25-14-17(15-7-4-3-5-8-15)24-18(25)9-10-22-20(28)19-16(13-23-26(19)2)21(29)27-11-6-12-27/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28)","","2022-01-26","2025-07-25","4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide","2022-10-12"],["IM0","4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","C46 H40 N10 O12","COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[CH](Cc4c[nH]nn4)NC(=O)c5ccc(NC(=O)c6ccc7cc(O)ccc7c6)cc5)cn3)c(OCCN)c2O)C(O)=O;COc1c(ccc(c1O)C(=O)O)NC(=O)c2ccc(c(c2O)OCCN)NC(=O)c3ccc(cn3)NC(=O)C(Cc4c[nH]nn4)NC(=O)c5ccc(cc5)NC(=O)c6ccc7cc(ccc7c6)O","InChI=1S/C46H40N10O12/c1-67-39-33(15-12-32(38(39)59)46(65)66)52-43(62)31-11-14-34(40(37(31)58)68-17-16-47)53-44(63)35-13-9-28(21-48-35)51-45(64)36(20-29-22-49-56-55-29)54-41(60)23-4-7-27(8-5-23)50-42(61)26-3-2-25-19-30(57)10-6-24(25)18-26/h2-15,18-19,21-22,36,57-59H,16-17,20,47H2,1H3,(H,50,61)(H,51,64)(H,52,62)(H,53,63)(H,54,60)(H,65,66)(H,49,55,56)/t36-/m0/s1","","2022-03-31","2023-02-10","4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid","2023-02-15"],["IM1","(2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE","C31 H42 N4 O4","O=C(NC(c1nccn1)C(C)C)C(Cc2ccccc2)CC(O)C(NC(=O)OC(C)(C)C)Cc3ccccc3;CC(C)[CH](NC(=O)[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)c3[nH]ccn3;CC(C)C(c1[nH]ccn1)NC(=O)C(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O","InChI=1S/C31H42N4O4/c1-21(2)27(28-32-16-17-33-28)35-29(37)24(18-22-12-8-6-9-13-22)20-26(36)25(19-23-14-10-7-11-15-23)34-30(38)39-31(3,4)5/h6-17,21,24-27,36H,18-20H2,1-5H3,(H,32,33)(H,34,38)(H,35,37)/t24-,25+,26+,27+/m1/s1","","1999-07-08","2011-06-04","tert-butyl [(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-{[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]amino}-5-oxopentyl]carbamate",""],["IM2","(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox\nylic acid","C12 H19 N3 O4 S","O=C(O)C1=C(SCCNC=[N@H])CC(N1)C(C=O)C(O)C;C[CH](O)[CH](C=O)[CH]1CC(=C(N1)C(O)=O)SCCNC=N;CC(C(C=O)C1CC(=C(N1)C(=O)O)SCCNC=N)O","InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1","IMIPENEM, open form; N-FORMIMIDOYL-THIENAMYCINE, open form","1999-07-13","2024-09-27","(5R)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid",""],["IM3","(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID","C9 H9 N O4","O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1;OC(=O)C(=N)Cc1ccc(O)c(O)c1;[H]N=C(Cc1ccc(c(c1)O)O)C(=O)O","InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+","IMINO-DOPA","2006-12-14","2020-06-17","(2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid",""],["IM4","(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine","C9 H10 Cl N5 O2","[O-][N+](=O)/N=C1NCCN1Cc2cnc(Cl)cc2;[O-][N+](=O)N=C1NCCN1Cc2ccc(Cl)nc2;c1cc(ncc1CN2CCNC2=N[N+](=O)[O-])Cl","InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)","imidacloprid","2008-02-11","2020-06-17","(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine",""],["IM5","2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","C12 H17 N5 O3","O=C2NC(=Nc1c(cnc12)CN3CC(C(O)C3)CO)N;NC1=Nc2c(CN3C[CH](O)[CH](CO)C3)c[nH]c2C(=O)N1;c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3CC(C(C3)O)CO","InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1","DADMe-ImmG","2010-11-05","2020-06-17","2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["IM6","4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide","C21 H21 N5 O","O=C(c1ccc(cc1)C(C)(C)C)Nc2nc3ccc(cn3c2)n4ccnc4;CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4;CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4","InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)","","2012-08-21","2012-10-26","4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide","2012-10-26"],["IM7","(5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","C21 H24 Cl N3 O","N1C63CN2C(C1=O)(CCC2)CC6C(c5c(C3)c4c(ccc(c4)Cl)n5)(C)C;CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c6cc(Cl)ccc6[nH]c15)NC4=O;CC1(c2c(c3cc(ccc3[nH]2)Cl)CC45C1CC6(CCCN6C4)C(=O)N5)C","InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1","isomalbrancheamide B","2017-07-17","2021-03-01","(5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one","2017-08-16"],["IM8","2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE","C23 H25 Cl N2 O4","Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)NC(CC)CO;CC[CH](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13;CCC(CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C","InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1","","2006-02-06","2011-06-04","2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[(1R)-1-(hydroxymethyl)propyl]acetamide",""],["IM9","2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol","C23 H29 N7 O2","O=C(N4CCN(c3ccc(Nc2nc(c1cnc(n1C(C)C)C)ccn2)cc3)CC4)CO;CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C(=O)CO)n2;Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO","InChI=1S/C23H29N7O2/c1-16(2)30-17(3)25-14-21(30)20-8-9-24-23(27-20)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)22(32)15-31/h4-9,14,16,31H,10-13,15H2,1-3H3,(H,24,26,27)","","2008-06-04","2011-06-04","2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol",""],["IMA","[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM","C34 H36 N5 O2","O=C(NCc1ccc(cc1)[N+](C)(C)C)c4cc3cc(OCc2ccccc2)ccc3n4Cc5cc(C(=[N@H])N)ccc5;C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc5cccc(c5)C(N)=N)cc1;C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5","InChI=1S/C34H35N5O2/c1-39(2,3)29-14-12-24(13-15-29)21-37-34(40)32-20-28-19-30(41-23-25-8-5-4-6-9-25)16-17-31(28)38(32)22-26-10-7-11-27(18-26)33(35)36/h4-20H,21-23H2,1-3H3,(H3-,35,36,37,40)/p+1","","2002-05-13","2011-06-04","4-[({[5-(benzyloxy)-1-(3-carbamimidoylbenzyl)-1H-indol-2-yl]carbonyl}amino)methyl]-N,N,N-trimethylanilinium",""],["IMB","[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID","C10 H12 N2 O6 P2","O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O;O[P](O)(=O)C(Nc1nccc2ccccc12)[P](O)(O)=O;c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)","(3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE","2004-04-20","2020-06-17","[(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid)",""],["IMC","N1-[2-DEOXY-RIBOFURANOSYL]-[2-AMINO-5-METHYL-4-OXO-4H-PYRIMIDINE]-5'-MONOPHOSPHATE","C10 H16 N3 O7 P","O=C1N=C(N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O)N;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=NC1=O)N;CC1=CN(C(=NC1=O)N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H16N3O7P/c1-5-3-13(10(11)12-9(5)15)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","1999-07-08","2011-06-04","2-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-4(1H)-one",""],["IMD","IMIDAZOLE","C3 H5 N2","c1c[nH+]cn1;[nH]1cc[nH+]c1;c1c[nH+]c[nH]1","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1","","1999-07-08","2024-09-27","1H-imidazol-3-ium",""],["IME","TETRA(IMIDAZOLE)DIAQUACOPPER (II)","C12 H16 Cu N8 O2","n1ccn(c1)[Cu](n2ccnc2)(O)(O)(n3ccnc3)n4ccnc4;O|[Cu](|O)(n1ccnc1)(n2ccnc2)(n3ccnc3)n4ccnc4;c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2]","InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;+4;;","","2001-10-03","2011-08-15","diaqua(tetra-1H-imidazol-1-yl)copper",""],["IMF","TETRA(IMIDAZOLE)DIAQUACOPPER (I)","C12 H20 Cu N8 O2","O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4;C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2]","InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H,(H,4,5);;2*1H2/q;;;;+1;;","","2001-10-08","2023-09-23","tetrakis(1~{H}-imidazol-3-yl)-bis($l^{3}-oxidanyl)copper(1+)",""],["IMG","1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL","C11 H15 N5 O4","O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N;NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)[CH](O)[CH]3O;c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(C(C(N3)CO)O)O","InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1","IMMUCILLIN-G","1999-07-08","2021-03-01","2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["IMH","1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL","C11 H14 N4 O4","OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O;OC[CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC=Nc23;c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O","InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1","Forodesine; Immucillin H","1999-07-08","2022-09-26","7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",""],["IMI","2-IMINOBIOTIN","C10 H17 N3 O2 S","O=C(O)CCCCC1SCC2NC(=[N@H])NC12;OC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12;C1C2C(C(S1)CCCCC(=O)O)NC(=N)N2","InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1","","1999-07-08","2011-06-04","5-[(2Z,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",""],["IMJ","(2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide","C23 H24 N4 O2","O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4C)C;CN(Cc1c(C)n(C)c2ccccc12)C(=O)C=Cc3cnc4NC(=O)CCc4c3;Cc1c(c2ccccc2n1C)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4","InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+","","2010-08-30","2011-06-04","(2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide",""],["IMK","2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE","C14 H18 N2 O5","OC1C(O)C(O)C(OC1CO)c3nc2cc(ccc2n3)C;Cc1ccc2[nH]c(nc2c1)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;Cc1ccc2c(c1)nc([nH]2)C3C(C(C(C(O3)CO)O)O)O","InChI=1S/C14H18N2O5/c1-6-2-3-7-8(4-6)16-14(15-7)13-12(20)11(19)10(18)9(5-17)21-13/h2-4,9-13,17-20H,5H2,1H3,(H,15,16)/t9-,10-,11+,12-,13-/m1/s1","2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,2,3-BENZIMIDAZOLE","2004-10-05","2020-06-17","(1S)-1,5-anhydro-1-(5-methyl-1H-benzimidazol-2-yl)-D-glucitol",""],["IML","N-METHYL-ISOLEUCINE","C7 H15 N O2","O=C(O)C(NC)C(CC)C;CC[CH](C)[CH](NC)C(O)=O;CCC(C)C(C(=O)O)NC","InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6-/m0/s1","","1999-07-08","2024-09-27","N-methyl-L-isoleucine",""],["IMM","1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID","C19 H16 I N O4","Ic1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)O;COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(I)cc3;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O","InChI=1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)","","1999-07-08","2011-06-04","{1-[(4-iodophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid",""],["IMN","INDOMETHACIN","C19 H16 Cl N O4","Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)O;COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O","InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)","","1999-07-08","2011-06-04","{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid",""],["IMO","6-O-PHOSPHORYL INOSINE MONOPHOSPHATE","C10 H14 N4 O11 P2","O=P(O)(O)Oc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(O[P](O)(O)=O)ncnc23;c1nc2c(c(n1)OP(=O)(O)O)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C10H14N4O11P2/c15-6-4(1-23-26(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)25-27(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2011-06-04","6-(phosphonooxy)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine",""],["IMP","INOSINIC ACID","C10 H13 N4 O8 P","O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O","InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","","1999-07-08","2024-09-27","5'-inosinic acid",""],["IMQ","(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol","C15 H18 N2 O3","OCC3N(Cc2cccc1c2nccc1)CC(O)C3O;OC[CH]1[CH](O)[CH](O)CN1Cc2cccc3cccnc23;c1cc2cccnc2c(c1)CN3CC(C(C3CO)O)O","InChI=1S/C15H18N2O3/c18-9-12-15(20)13(19)8-17(12)7-11-4-1-3-10-5-2-6-16-14(10)11/h1-6,12-13,15,18-20H,7-9H2/t12-,13+,15-/m1/s1","","2008-10-02","2011-06-04","(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol",""],["IMR","IMINORIBITOL","C5 H11 N O3","OCC1NCC(O)C1O;OC[CH]1NC[CH](O)[CH]1O;C1C(C(C(N1)CO)O)O","InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1","2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL","2001-03-29","2020-06-17","(2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol",""],["IMS","2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE","C23 H25 Cl N2 O4","Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)NC(CC)CO;CC[CH](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13;CCC(CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C","InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m0/s1","","2006-02-08","2011-06-04","2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[(1S)-1-(hydroxymethyl)propyl]acetamide",""],["IMT","4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID","C5 H7 N3 O2","O=C(O)c1nc(N)cn1C;Cn1cc(N)nc1C(O)=O;Cn1cc(nc1C(=O)O)N","InChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)","","2002-08-08","2011-06-04","4-amino-1-methyl-1H-imidazole-2-carboxylic acid",""],["IMU","PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER","C11 H16 N5 O7 P","O=P(OCC3NC(c2c1N=C(N)NC(=O)c1nc2)C(O)C3O)(O)O;NC1=Nc2c([nH]cc2[CH]3N[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1;c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(C(C(N3)COP(=O)(O)O)O)O","InChI=1S/C11H16N5O7P/c12-11-15-5-3(1-13-7(5)10(19)16-11)6-9(18)8(17)4(14-6)2-23-24(20,21)22/h1,4,6,8-9,13-14,17-18H,2H2,(H2,20,21,22)(H3,12,15,16,19)/t4-,6+,8-,9+/m1/s1","MODIFIED QUANOSINE-5-PHOSPHATE","1999-07-08","2021-03-01","[(2R,3R,4S,5S)-5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl dihydrogen phosphate",""],["IMV","5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid","C17 H13 N O5","O=C2N(c1ccccc1C2)Cc3ccc4OCOc4c3C(=O)O;OC(=O)c1c(CN2C(=O)Cc3ccccc23)ccc4OCOc14;c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4","InChI=1S/C17H13NO5/c19-14-7-10-3-1-2-4-12(10)18(14)8-11-5-6-13-16(23-9-22-13)15(11)17(20)21/h1-6H,7-9H2,(H,20,21)","","2010-06-21","2011-06-04","5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid",""],["IMW","2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione","C10 H12 O2","O=C1C=C(C(=O)C=C1C(C)C)C;CC(C)C1=CC(=O)C(=CC1=O)C;CC1=CC(=O)C(=CC1=O)C(C)C","InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3","Thymoquinone; 2-isopropyl-5-methylbenzo-1,4-quinone","2010-05-06","2021-03-13","2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione",""],["IMX","[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid","C20 H17 F N2 O3","O=C(O)CC4c1ccccc1CC4NC(=O)c3cc2cc(F)ccc2n3;OC(=O)C[CH]1[CH](Cc2ccccc12)NC(=O)c3[nH]c4ccc(F)cc4c3;c1ccc2c(c1)CC(C2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F","InChI=1S/C20H17FN2O3/c21-13-5-6-16-12(7-13)9-18(22-16)20(26)23-17-8-11-3-1-2-4-14(11)15(17)10-19(24)25/h1-7,9,15,17,22H,8,10H2,(H,23,26)(H,24,25)/t15-,17-/m1/s1","","2010-04-13","2011-06-04","[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid",""],["IMY","1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE","C30 H32 Cl2 N4 O3","O=C(N2C(=NC(c1ccc(Cl)cc1)C2c3ccc(Cl)cc3)c4ccc(OC)cc4OC(C)C)N5CCNCC5;COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNCC3)c4ccc(Cl)cc4)c5ccc(Cl)cc5;CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC","InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28+/m0/s1","CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE","2004-06-28","2021-03-13","1-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methylethoxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazine",""],["IMZ","CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE","C31 H34 Br2 N4 O4","Brc1ccc(cc1)C5N=C(c2ccc(OC)cc2OCC)N(C(=O)N3CCN(CCO)CC3)C5c4ccc(Br)cc4;CCOc1cc(OC)ccc1C2=N[CH]([CH](N2C(=O)N3CCN(CCO)CC3)c4ccc(Br)cc4)c5ccc(Br)cc5;CCOc1cc(ccc1C2=NC(C(N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC","InChI=1S/C31H34Br2N4O4/c1-3-41-27-20-25(40-2)12-13-26(27)30-34-28(21-4-8-23(32)9-5-21)29(22-6-10-24(33)11-7-22)37(30)31(39)36-16-14-35(15-17-36)18-19-38/h4-13,20,28-29,38H,3,14-19H2,1-2H3/t28-,29+/m0/s1","","2003-12-17","2011-06-04","2-(4-{[(4S,5R)-4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}piperazin-1-yl)ethanol",""],["IN","INDIUM (III) ION","In","[In+3];[In+3];[In+3]","InChI=1S/In/q+3","","1999-07-08","2011-06-04","indium",""],["IN0","N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E]\n[1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID","C30 H31 Cl N2 O7","O=C(O)CC(C(=O)O)NC(=O)CC1OC(c2cc(Cl)ccc2N(C1=O)CC(C)(C)C)c4c3ccccc3ccc4;CC(C)(C)CN1C(=O)[CH](CC(=O)N[CH](CC(O)=O)C(O)=O)O[CH](c2cccc3ccccc23)c4cc(Cl)ccc14;CC(C)(C)CN1c2ccc(cc2C(OC(C1=O)CC(=O)NC(CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl","InChI=1S/C30H31ClN2O7/c1-30(2,3)16-33-23-12-11-18(31)13-21(23)27(20-10-6-8-17-7-4-5-9-19(17)20)40-24(28(33)37)15-25(34)32-22(29(38)39)14-26(35)36/h4-13,22,24,27H,14-16H2,1-3H3,(H,32,34)(H,35,36)(H,38,39)/t22-,24+,27+/m0/s1","CP-320473","2000-05-24","2020-06-17","N-{[(3R,5R)-7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid",""],["IN1","4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate","C13 H24 O10","O=C(OCC(O)(O)CCOC1OC(C(O)C(O)C1O)CO)CC;CCC(=O)OCC(O)(O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCC(=O)OCC(CCOC1C(C(C(C(O1)CO)O)O)O)(O)O","InChI=1S/C13H24O10/c1-2-8(15)22-6-13(19,20)3-4-21-12-11(18)10(17)9(16)7(5-14)23-12/h7,9-12,14,16-20H,2-6H2,1H3/t7-,9-,10+,11-,12-/m1/s1","PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER; 4-(beta-D-glucosyloxy)-2,2-dihydroxybutyl\npropanoate; 4-(D-glucosyloxy)-2,2-dihydroxybutyl propanoate; 4-(glucosyloxy)-2,2-dihydroxybutyl propanoate","1999-07-08","2020-07-17","4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate",""],["IN2","N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE","C8 H18 N4 O3","O=C(NN(C(=O)O)CCCCN)N(C)C;CN(C)C(=O)NN(CCCCN)C(O)=O;CN(C)C(=O)NN(CCCCN)C(=O)O","InChI=1S/C8H18N4O3/c1-11(2)7(13)10-12(8(14)15)6-4-3-5-9/h3-6,9H2,1-2H3,(H,10,13)(H,14,15)","","1999-07-08","2024-09-27","1-(4-aminobutyl)-2-(dimethylcarbamoyl)hydrazinecarboxylic acid",""],["IN3","1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE","C29 H33 N5 O6","O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)c3cc(OCc2ccccc2)ccc3)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)c2cccc(OCc3ccccc3)c2;CC(C)CC(C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C29H33N5O6/c1-20(2)16-25(30-29(38)40-19-22-12-7-4-8-13-22)27(36)32-34-28(37)33-31-26(35)23-14-9-15-24(17-23)39-18-21-10-5-3-6-11-21/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,30,38)(H,31,35)(H,32,36)(H2,33,34,37)/t25-/m0/s1","","1999-07-08","2024-09-27","benzyl [(1S)-1-({2-[(2-{[3-(benzyloxy)phenyl]carbonyl}hydrazino)carbonyl]hydrazino}carbonyl)-3-methylbutyl]carbamate (non-preferred name)",""],["IN4","+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE","C20 H24 N4 O2","O=C(OC)CC(c1cc(ccc1)C(=[N@H])N)CCc2ccc(C(=[N@H])N)cc2;COC(=O)C[CH](CCc1ccc(cc1)C(N)=N)c2cccc(c2)C(N)=N;[H]N=C(c1cccc(c1)C(CCc2ccc(cc2)C(=N)N)CC(=O)OC)N","InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)/t16-/m0/s1","","1999-07-08","2011-06-04","methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate",""],["IN5","{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID","C10 H18 N2 O8 P2","O=P(O)(O)OCc1cnc(c(O)c1CNC(C)P(=O)(O)O)C;C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)[P](O)(O)=O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)P(=O)(O)O)O","InChI=1S/C10H18N2O8P2/c1-6-10(13)9(4-12-7(2)21(14,15)16)8(3-11-6)5-20-22(17,18)19/h3,7,12-13H,4-5H2,1-2H3,(H2,14,15,16)(H2,17,18,19)/t7-/m1/s1","","1999-07-08","2011-06-04","{(1R)-1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]ethyl}phosphonic acid",""],["IN6","N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE","C31 H39 N5 O6 S","O=C(OCc1ccccc1)NC(c2nc(cs2)C(=O)NNC(=O)C(NC(=O)OCc3ccccc3)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c2csc(n2)[CH](CC(C)C)NC(=O)OCc3ccccc3;CC(C)CC(c1nc(cs1)C(=O)NNC(=O)C(CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3","InChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1","","1999-07-08","2024-09-27","benzyl [(1S)-1-{[2-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]carbonyl}-3-methylbutyl]carbamate (non-preferred name)",""],["IN7","[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID","C19 H22 N2 O4 S","O=C(O)CNS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3;OC(=O)CN[S](=O)(=O)c1ccc(cc1)N2CCC(CC2)c3ccccc3;c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O","InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)","","1999-10-07","2011-06-04","N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}glycine",""],["IN8","[2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER","C19 H18 N4 O3 S2","O=C(Nc1nnc(S)s1)CC(c2ccccc2)NC(=O)OCc3ccccc3;Sc1sc(NC(=O)C[CH](NC(=O)OCc2ccccc2)c3ccccc3)nn1;c1ccc(cc1)COC(=O)NC(CC(=O)Nc2nnc(s2)S)c3ccccc3","InChI=1S/C19H18N4O3S2/c24-16(21-17-22-23-19(27)28-17)11-15(14-9-5-2-6-10-14)20-18(25)26-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,25)(H,23,27)(H,21,22,24)/t15-/m1/s1","PNU-141803","1999-07-08","2020-06-17","benzyl {(1R)-3-oxo-1-phenyl-3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)amino]propyl}carbamate",""],["IN9","2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE","C13 H10 F5 N5 O2 S2","O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2c(F)c(F)c(F)c(F)c2F;CNC(=O)[CH](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc2sc(S)nn2;CNC(=O)C(Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S","InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1","PNU-142372","1999-07-08","2021-03-01","2,3,4,5,6-pentafluoro-N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide",""],["INA","1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE","C29 H40 N6 O7","O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2;CC(C)CC(C(=O)NNC(=O)NNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2","InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1","","1999-07-08","2024-09-27","benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,4,6,7,10-pentaazatridec-1-yl]carbamate (non-preferred name)",""],["INB","1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-GLYCEROL-3-PHOSPHOETHYLMETHYL SULFIDE","C26 H54 N O6 P S","O=P(OCC(NC(=O)C)COCCCCCCCCCCCCCCCCCC)(OCCSC)O;CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)OCCSC)NC(C)=O;CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCSC)NC(=O)C","InChI=1S/C26H54NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23-26(27-25(2)28)24-33-34(29,30)32-21-22-35-3/h26H,4-24H2,1-3H3,(H,27,28)(H,29,30)/t26-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-(acetylamino)-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen (R)-phosphate",""],["INC","2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER","C9 H17 N O4","O=C(N(O)C(C(=O)OC)CC(C)C)C;COC(=O)[CH](CC(C)C)N(O)C(C)=O;CC(C)CC(C(=O)OC)N(C(=O)C)O","InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1","","1999-07-08","2024-09-27","methyl N-acetyl-N-hydroxy-D-leucinate",""],["IND","INDOLE","C8 H7 N","c1cccc2c1ccn2;[nH]1ccc2ccccc12;c1ccc2c(c1)cc[nH]2","InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H","","1999-07-08","2011-06-04","1H-indole",""],["INE","3-BROMO-7-NITROINDAZOLE","C7 H4 Br N3 O2","[O-][N+](=O)c1cccc2c1nnc2Br;[O-][N+](=O)c1cccc2c(Br)n[nH]c12;c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br","InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)","","1999-09-10","2011-06-04","3-bromo-7-nitro-1H-indazole",""],["INF","D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE","C10 H12 N2 O4","O=C(O)C(NC(=O)NO)Cc1ccccc1;ONC(=O)N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)NO","InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1","","2000-11-17","2011-06-04","N-(hydroxycarbamoyl)-D-phenylalanine",""],["ING","D-[(AMINO)CARBONYL]PHENYLALANINE","C10 H12 N2 O3","O=C(O)C(NC(=O)N)Cc1ccccc1;NC(=O)N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)NC(=O)N","InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1","","2000-11-21","2024-09-27","N-carbamoyl-L-phenylalanine",""],["INH","N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE","C25 H35 N6 O4","O=C(Nc1ccccc1)C(NC(=O)C(NC(C(=O)O)C)CCc2ccccc2)CCCNC(=[NH2+])N;C[CH](N[CH](CCc1ccccc1)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)Nc2ccccc2)C(O)=O;CC(C(=O)O)NC(CCc1ccccc1)C(=O)NC(CCCNC(=[NH2+])N)C(=O)Nc2ccccc2","InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/p+1/t17-,20+,21+/m1/s1","","1999-07-08","2023-09-18","amino{[(4S)-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxo-5-(phenylamino)pentyl]amino}methaniminium",""],["INI","5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE","C9 H14 N4 O8","O=C1NC(NCC(O)C(O)C(O)CO)=C(C(=O)N1)[N+]([O-])=O;OC[CH](O)[CH](O)[CH](O)CNC1=C(C(=O)NC(=O)N1)[N+]([O-])=O;C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]","InChI=1S/C9H14N4O8/c14-2-4(16)6(17)3(15)1-10-7-5(13(20)21)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1","","1999-07-08","2011-06-04","1-deoxy-1-[(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-D-ribitol",""],["INJ","5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYL-PHOSPHONIC ACID","C14 H26 N3 O9 P","O=P(O)(O)CCCCCc1c(O)nc(O)nc1NCC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CNc1nc(O)nc(O)c1CCCCC[P](O)(O)=O;C(CCc1c(nc(nc1O)O)NCC(C(C(CO)O)O)O)CCP(=O)(O)O","InChI=1S/C14H26N3O9P/c18-7-10(20)11(21)9(19)6-15-12-8(13(22)17-14(23)16-12)4-2-1-3-5-27(24,25)26/h9-11,18-21H,1-7H2,(H2,24,25,26)(H3,15,16,17,22,23)/t9-,10+,11-/m0/s1","","2000-03-07","2011-06-04","1-deoxy-1-{[2,6-dihydroxy-5-(5-phosphonopentyl)pyrimidin-4-yl]amino}-D-ribitol",""],["INK","(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE","C11 H16 Cl O3 P","ClP(=O)(OC(COc1ccccc1)CC)C;CC[CH](COc1ccccc1)O[P](C)(Cl)=O;CCC(COc1ccccc1)OP(=O)(C)Cl","InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1","","2001-01-03","2024-09-27","(1R)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate",""],["INL","6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE","C18 H21 N3 O6 S3","O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(OC)c2)S3(=O)=O)CN4CCOCC4)N;COc1cccc(c1)N2C(=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O)CN4CCOCC4;COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4","InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)","AL-6629; [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE; 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-; 1,1-DIOXIDE]","2001-03-20","2020-05-27","2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["INM","4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE","C10 H15 N3 O5 S3","O=S(=O)(N)c2sc1c(C(=CN(S1(=O)=O)CCCOC)N)c2;COCCCN1C=C(N)c2cc(sc2[S]1(=O)=O)[S](N)(=O)=O;COCCCN1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N","InChI=1S/C10H15N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15)","AL-8520; [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE; 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-; 1,1-DIOXIDE,(R)]","2001-03-21","2020-05-27","4-amino-2-(3-methoxypropyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["INN","N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide","C19 H37 N5 O5","O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)NCCN)C)C(C)(C)C)CC(C)C;CC(C)C[CH](CC(=O)NO)C(=O)N[CH](C(=O)N[CH](C)C(=O)NCCN)C(C)(C)C;CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C","InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13+,15+/m0/s1","","1999-07-08","2011-06-04","N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide",""],["INO","2-HYDROXYISONICOTINIC ACID N-OXIDE","C6 H5 N O4","O=C(O)c1cc[n+]([O-])c(O)c1;OC(=O)c1cc[n+]([O-])c(O)c1;c1c[n+](c(cc1C(=O)O)O)[O-]","InChI=1S/C6H5NO4/c8-5-3-4(6(9)10)1-2-7(5)11/h1-3,8H,(H,9,10)","","1999-07-08","2011-06-04","2-hydroxypyridine-4-carboxylic acid 1-oxide",""],["INP","4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N","C31 H43 N5 O6","O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C;CC(C)C[CH](CN1C[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc2ccncc2)C(=O)C1)NC(=O)OCc3ccccc3;CC(C)CC(CN1CC(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3","InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1","PYRROLIDINONE","1999-07-08","2024-09-27","N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide",""],["INQ","6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE","C17 H19 N3 O6 S3","O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(O)c2)S3(=O)=O)CN4CCOCC4)N;N[S](=O)(=O)c1sc2c(C=C(CN3CCOCC3)N(c4cccc(O)c4)[S]2(=O)=O)c1;c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4","InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)","AL-6619; [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE; 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-; 1,1-DIOXIDE]","2001-03-21","2020-05-27","2-(3-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide",""],["INR","2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID","C16 H10 N2 O5 S","O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4;O[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1;c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)S(=O)(=O)O)N2","InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-","INDIRUBIN-5-SULPHONATE","2000-10-17","2021-03-01","(2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid",""],["INS","1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE","C6 H12 O6","OC1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O;C1(C(C(C(C(C1O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-","MYO-INOSITOL","1999-07-08","2024-09-27","(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol",""],["INT","[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-VALINYL-[PHENYL-1-HYDROXYPROP-2-YL]-AMINE","C25 H33 N3 O5","O=C(NC(Cc1ccccc1)CO)C(NC(=O)C(NC(=O)OCc2ccccc2)C)C(C)C;CC(C)[CH](NC(=O)[CH](C)NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2;CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(C)NC(=O)OCc2ccccc2","InChI=1/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1/f/h26-28H","TL-3-093","1999-07-08","2009-12-09","N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S)-1-benzyl-2-hydroxyethyl]-L-valinamide",""],["INU","N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE","C27 H29 N O5 S","O=S(=O)(c1ccccc1)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5;OC1=C([CH](C2CC2)c3cccc(N[S](=O)(=O)c4ccccc4)c3)C(=O)OC5=C1CCCCCC5;c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O","InChI=1S/C27H29NO5S/c29-26-22-13-6-1-2-7-14-23(22)33-27(30)25(26)24(18-15-16-18)19-9-8-10-20(17-19)28-34(31,32)21-11-4-3-5-12-21/h3-5,8-12,17-18,24,28-29H,1-2,6-7,13-16H2/t24-/m0/s1","","1999-07-08","2011-06-04","N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide",""],["INV","4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE","C14 H13 F N2 O3 S","Fc1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2;c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)","","2001-03-21","2011-06-04","N-(4-fluorobenzyl)-4-sulfamoylbenzamide",""],["INW","4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE","C14 H12 F2 N2 O3 S","Fc1cc(F)ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2F;c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N","InChI=1S/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)","","2001-03-21","2011-06-04","N-(2,4-difluorobenzyl)-4-sulfamoylbenzamide",""],["INX","2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID","C30 H37 N3 O10","O=C(O)CCC(=O)NC(C(=O)NC(C(=O)NCCCCC)Cc1ccc(OCC(=O)O)c(c1)C(=O)O)Cc2ccccc2;CCCCCNC(=O)[CH](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[CH](Cc2ccccc2)NC(=O)CCC(O)=O;CCCCCNC(=O)C(Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)CCC(=O)O","InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1","","2000-11-28","2011-06-04","N-(3-carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide",""],["INY","CARPROPAMIDE","C15 H18 Cl3 N O","O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl;CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2;CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl","InChI=1/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1/f/h19H","","1999-07-08","2008-10-14","(1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide",""],["INZ","2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID","C27 H33 N3 O9","O=C(O)C(NC(=O)NC(C(=O)NCCCCC)Cc1ccc(OC(C(=O)O)C(=O)O)cc1)Cc2ccccc2;CCCCCNC(=O)[CH](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)N[CH](Cc2ccccc2)C(O)=O;CCCCCNC(=O)C(Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)NC(Cc2ccccc2)C(=O)O","InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1","","2000-11-22","2011-06-04","{4-[(2S)-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}propanedioic acid",""],["IO0","(2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid","C14 H23 N3 O6 S","CC(C)[CH](NC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=S)C(O)=O;CC(C)C(C(=O)O)NC(=O)C(C=S)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h6-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1","ACdV thioaldehyde","2023-08-01","2024-08-02","(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(2~{R})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid","2024-08-07"],["IO2","2-(4-phenylmethoxyphenyl)ethanoic acid","C15 H14 O3","OC(=O)Cc1ccc(OCc2ccccc2)cc1;c1ccc(cc1)COc2ccc(cc2)CC(=O)O","InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)","","2015-10-29","2016-02-26","2-(4-phenylmethoxyphenyl)ethanoic acid","2016-03-02"],["IO3","IOPHENOXIC ACID","C11 H11 I3 O3","Ic1c(c(I)c(O)c(I)c1)CC(C(=O)O)CC;CC[CH](Cc1c(I)cc(I)c(O)c1I)C(O)=O;CCC(Cc1c(cc(c(c1I)O)I)I)C(=O)O","InChI=1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17)/t5-/m0/s1","","2011-03-21","2011-06-04","(2S)-2-(3-hydroxy-2,4,6-triiodobenzyl)butanoic acid",""],["IO4","(8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide","C19 H13 Cl N4 O","Clc1nccc(c1)NC(=O)c1cn2nc(cc2cc1)c1ccccc1;Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)ccn1;c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4ccnc(c4)Cl","InChI=1S/C19H13ClN4O/c20-18-10-15(8-9-21-18)22-19(25)14-6-7-16-11-17(23-24(16)12-14)13-4-2-1-3-5-13/h1-12H,(H,21,22,25)","","2022-01-26","2022-10-07","(8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide","2022-10-12"],["IO5","(2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide","C24 H28 N6 O2 S","NC(=O)C(Sc1nc(N2CCCN(CCO)CC2)c(C#N)c(CC)c1C#N)c1ccccc1;CCc1c(C#N)c(S[CH](C(N)=O)c2ccccc2)nc(N3CCCN(CCO)CC3)c1C#N;CCc1c(c(nc(c1C#N)SC(c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N","InChI=1S/C24H28N6O2S/c1-2-18-19(15-25)23(30-10-6-9-29(11-12-30)13-14-31)28-24(20(18)16-26)33-21(22(27)32)17-7-4-3-5-8-17/h3-5,7-8,21,31H,2,6,9-14H2,1H3,(H2,27,32)/t21-/m0/s1","","2021-10-04","2022-03-25","(2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide","2022-03-30"],["IO6","1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide","C12 H16 N2 O5 S2","CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O;CCCCCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N","InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17)","","2023-08-02","2023-11-03","1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide","2023-11-08"],["IO7","4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-1H-pyrazol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide","C14 H16 F2 N6 O2","O=C(c1cnn(C)c1C(=O)Nc1ccn(CC(F)F)n1)N1CCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn(CC(F)F)n3;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn(n3)CC(F)F","InChI=1S/C14H16F2N6O2/c1-20-12(9(7-17-20)14(24)21-4-2-5-21)13(23)18-11-3-6-22(19-11)8-10(15)16/h3,6-7,10H,2,4-5,8H2,1H3,(H,18,19,23)","","2022-01-26","2022-10-07","4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-1H-pyrazol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide","2022-10-12"],["IO8","2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid","C15 H14 N4 O3","NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O;c1ccc2c(c1)c(c[nH]2)C=C3C(=O)N(C(=N3)CN)CC(=O)O","InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5-","CHROMOPHORE (GLY-TRP-GLY)","2022-04-01","2024-09-27","2-[(4~{Z})-2-(aminomethyl)-4-(1~{H}-indol-3-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2022-05-04"],["IO9","(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid","C5 H6 O6","O[CH](CC(=O)C(O)=O)C(O)=O;C(C(C(=O)O)O)C(=O)C(=O)O","InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1","","2022-07-07","2023-06-30","(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid","2023-07-05"],["IOA","4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE","C14 H12 F2 N2 O3 S","Fc1ccc(F)cc1CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)ccc2F;c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N","InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)","","2001-03-21","2011-06-04","N-(2,5-difluorobenzyl)-4-sulfamoylbenzamide",""],["IOB","3-IODO-BENZYL ALCOHOL","C7 H7 I O","Ic1cc(ccc1)CO;OCc1cccc(I)c1;c1cc(cc(c1)I)CO","InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2","","1999-07-08","2011-06-04","(3-iodophenyl)methanol",""],["IOC","4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE","C14 H11 F3 N2 O3 S","Fc1ccc(c(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c(F)c2F;c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N","InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)","","2001-03-21","2011-06-04","4-sulfamoyl-N-(2,3,4-trifluorobenzyl)benzamide",""],["IOD","IODIDE ION","I","[I-];[I-];[I-]","InChI=1S/HI/h1H/p-1","","1999-07-08","2024-09-27","iodide",""],["IOE","4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE","C14 H11 F3 N2 O3 S","Fc1cc(F)cc(F)c1CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cc(F)cc2F;c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N","InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)","","2001-03-21","2011-06-04","4-sulfamoyl-N-(2,4,6-trifluorobenzyl)benzamide",""],["IOF","4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE","C14 H11 F3 N2 O3 S","Fc1cc(cc(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)c(F)c(F)c2;c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N","InChI=1S/C14H11F3N2O3S/c15-11-5-8(6-12(16)13(11)17)7-19-14(20)9-1-3-10(4-2-9)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)","","2001-03-21","2011-06-04","4-sulfamoyl-N-(3,4,5-trifluorobenzyl)benzamide",""],["IOG","N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE","C33 H39 N3 O3","O=C(NC(C)CCc1ccc(O)cc1)Cc5c3ccc(OCCN2CCCCC2)cc3nc5c4ccccc4;C[CH](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3cc(OCCN4CCCCC4)ccc23)c5ccccc5;CC(CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5","InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-20-36-18-6-3-7-19-36)22-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1","","2007-04-06","2011-06-04","N-[(1R)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide",""],["IOH","2-PROPANOL, ISOPROPANOL","C3 H8 O","OC(C)C;CC(C)O;CC(C)O","InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","","1999-07-08","2009-10-02","propan-2-ol",""],["IOI","N~4~-ethyl-N~5~-{(4S)-2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl}-N~4~,1-dimethyl-1H-pyrazole-4,5-dicarboxamide","C23 H24 F N7 O3","O=C(c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1cccc(OCCF)c1)N(C)CC;CCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3n2)c4cccc(OCCF)c4;CCN(C)C(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3n2)c4cccc(c4)OCCF)C","InChI=1S/C23H24FN7O3/c1-4-29(2)22(33)17-13-25-30(3)20(17)21(32)27-19-8-10-31-14-18(26-23(31)28-19)15-6-5-7-16(12-15)34-11-9-24/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,26,27,28,32)","","2022-01-26","2022-10-07","N~4~-ethyl-N~5~-{(4S)-2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl}-N~4~,1-dimethyl-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["IOK","N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE","C26 H26 N2 O2","O=C(NC(C)CCc1ccc(O)cc1)Cc3c2ccccc2nc3c4ccccc4;C[CH](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3ccccc23)c4ccccc4;CC(CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4","InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1","","2007-04-05","2011-06-04","N-[(1R)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1H-indol-3-yl)acetamide",""],["IOL","4-IODOPHENOL","C6 H5 I O","Ic1ccc(O)cc1;Oc1ccc(I)cc1;c1cc(ccc1O)I","InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H","","2000-04-28","2011-06-04","4-iodophenol",""],["IOM","(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID","C4 H11 N3 O2","O=C(O)CN(C)C(N)N;CN(CC(O)=O)C(N)N;CN(CC(=O)O)C(N)N","InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)","","2002-10-17","2011-06-04","N-(diaminomethyl)-N-methylglycine",""],["ION","ARISTOLOCHENE","C15 H24","C2=C1CCCC(C)C1(CC(C(=C)C)C2)C;C[CH]1CCCC2=CC[CH](C[C]12C)C(C)=C;CC1CCCC2=CCC(CC12C)C(=C)C","InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1","6-ISOPROPENYL-4,4A-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE","2000-06-01","2021-03-13","(4S,4aR,6S)-4,4a-dimethyl-6-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene",""],["IOO","N7-(3,4-difluorobenzyl) guanosine 5'-monophosphate","C17 H19 F2 N5 O8 P","NC1=Nc2n(c[n+](Cc3ccc(F)c(F)c3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O;c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)F)F","InChI=1S/C17H18F2N5O8P/c18-8-2-1-7(3-9(8)19)4-23-6-24(14-11(23)15(27)22-17(20)21-14)16-13(26)12(25)10(32-16)5-31-33(28,29)30/h1-3,6,10,12-13,16,25-26H,4-5H2,(H4-,20,21,22,27,28,29,30)/p+1/t10-,12-,13-,16-/m1/s1","[(2R,3S,4R,5R)-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1H-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-04-04","2022-08-22","[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate","2022-04-13"],["IOP","INDOLYLPROPIONIC ACID","C11 H11 N O2","O=C(O)CCc2c1ccccc1nc2;OC(=O)CCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCC(=O)O","InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)","","1999-07-08","2011-06-04","3-(1H-indol-3-yl)propanoic acid",""],["IOQ","2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one","C20 H10 Cl2 O5","Oc1cc2Oc3cc(O)c(Cl)cc3[C]4(OC(=O)c5ccccc45)c2cc1Cl;c1ccc2c(c1)C(=O)OC23c4cc(c(cc4Oc5c3cc(c(c5)O)Cl)O)Cl","InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H","2',7'-Dichlorofluorescein","2023-08-02","2023-09-08","2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one","2023-09-13"],["IOR","N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine","C9 H16 N4 O3","O=C1N=C(NCCCC(C(=O)O)N)NC1C;C[CH]1NC(=NC1=O)NCCC[CH](N)C(O)=O;CC1C(=O)N=C(N1)NCCCC(C(=O)O)N","InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1","","2014-05-28","2014-06-20","N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine","2014-06-25"],["IOS","3-SULFOOXY-1H-INDOLE","C8 H7 N O4 S","O=S(=O)(O)Oc2c1ccccc1nc2;O[S](=O)(=O)Oc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O","InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)","","2005-07-26","2011-06-04","1H-indol-3-yl hydrogen sulfate",""],["IOT","ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER","C18 H28 N9 O10 P","O=C(O)C(NCC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCNC(=[N@H])N;NC(=N)NCCC[CH](NCC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CNC(CCCNC(=N)N)C(=O)O)O)O)N","InChI=1S/C18H28N9O10P/c19-14-11-15(25-6-24-14)27(7-26-11)16-13(30)12(29)9(36-16)5-35-38(33,34)37-10(28)4-23-8(17(31)32)2-1-3-22-18(20)21/h6-9,12-13,16,23,29-30H,1-5H2,(H,31,32)(H,33,34)(H2,19,24,25)(H4,20,21,22)/t8-,9+,12+,13+,16+/m0/s1","","2002-09-19","2011-06-04","(3R,8S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-8-(3-carbamimidamidopropyl)-3-hydroxy-5-oxo-2,4-dioxa-7-aza-3-phosphanonan-9-oic acid 3-oxide (non-preferred name)",""],["IOU","(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(3S)-3-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine","C17 H24 N8","Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(C)CC1;C[CH]1CCN(C1)c2nn(C)c(CCc3nn4c(C)cnc(C)c4n3)n2;Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4CCC(C4)C)C","InChI=1S/C17H24N8/c1-11-7-8-24(10-11)17-20-15(23(4)22-17)6-5-14-19-16-13(3)18-9-12(2)25(16)21-14/h9,11H,5-8,10H2,1-4H3","","2022-01-26","2022-10-07","(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(3S)-3-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["IOV","(1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","C17 H22 N2 O6 S","O=C(Nc1sc(c(C)c1C(=O)OCC)C(N)=O)C1CCCCC1C(=O)O;CCOC(=O)c1c(C)c(sc1NC(=O)[CH]2CCCC[CH]2C(O)=O)C(N)=O;CCOC(=O)c1c(c(sc1NC(=O)C2CCCCC2C(=O)O)C(=O)N)C","InChI=1S/C17H22N2O6S/c1-3-25-17(24)11-8(2)12(13(18)20)26-15(11)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/t9-,10+/m0/s1","","2023-05-05","2023-06-09","(1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","2023-06-14"],["IOW","(2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid","C6 H8 O6","C[C](O)(CC(=O)C(O)=O)C(O)=O;CC(CC(=O)C(=O)O)(C(=O)O)O","InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1","","2022-07-07","2023-06-30","(2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid","2023-07-05"],["IOX","phenylmethanesulfonic acid","C7 H8 O3 S","O=S(=O)(O)Cc1ccccc1;O[S](=O)(=O)Cc1ccccc1;c1ccc(cc1)CS(=O)(=O)O","InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)","","2009-08-24","2010-06-23","phenylmethanesulfonic acid",""],["IOY","P-IODO-D-PHENYLALANINE","C9 H10 I N O2","Ic1ccc(cc1)CC(C(=O)O)N;N[CH](Cc1ccc(I)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)I","InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1","4-IODOPHENYLALANINE","2004-09-14","2024-09-27","4-iodo-D-phenylalanine",""],["IOZ","(4S)-5,8-dimethyl-2-{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","C16 H22 N8","Cn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1;Cn1nc(CCc2nn3c(C)cnc(C)c3n2)nc1N4CCCC4;Cc1cnc(c2n1nc(n2)CCc3nc(n(n3)C)N4CCCC4)C","InChI=1S/C16H22N8/c1-11-10-17-12(2)15-18-13(21-24(11)15)6-7-14-19-16(22(3)20-14)23-8-4-5-9-23/h10H,4-9H2,1-3H3","","2022-01-26","2022-10-07","(4S)-5,8-dimethyl-2-{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["IP0","2-(1-methylethyl)phenol","C9 H12 O","Oc1ccccc1C(C)C;CC(C)c1ccccc1O;CC(C)c1ccccc1O","InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3","","2008-10-31","2011-06-04","2-(1-methylethyl)phenol",""],["IP1","ISOPENICILLIN N","C14 H21 N3 O6 S","O=C(O)C1N2C(=O)C(NC(=O)CCCC(C(=O)O)N)C2SC1(C)C;CC1(C)S[CH]2[CH](NC(=O)CCC[CH](N)C(O)=O)C(=O)N2[CH]1C(O)=O;CC1(C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C","InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1","","1999-07-08","2011-06-04","(2S,5R,6R)-6-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["IP2","D-MYO-INOSITOL-4,5-BISPHOSPHATE","C6 H14 O12 P2","O=P(OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O;C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O","InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1","","1999-07-08","2011-06-04","(1R,2R,3S,4R,5S,6S)-3,4,5,6-tetrahydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]",""],["IP3","1-HYDROXY-3-METHYLBUTANE","C5 H12 O","OCCC(C)C;CC(C)CCO;CC(C)CCO","InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","","1999-07-08","2011-12-12","3-methylbutan-1-ol",""],["IP4","1-METHYL-2-OXY-5,5-DIMETHYL PYRROLIDINE","C7 H13 N O","O=C1N(C)C(C)(C)CC1;CN1C(=O)CCC1(C)C;CC1(CCC(=O)N1C)C","InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3","","1999-07-08","2011-12-12","1,5,5-trimethylpyrrolidin-2-one",""],["IP5","(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]","C6 H17 O21 P5","O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6-/m0/s1","D-MYO-INS(1,2,3,4,5)P5","2006-08-25","2021-03-13","(1R,2S,3R,4S,5S,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]",""],["IP6","N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE","C20 H18 N4","n1cccc(c1N)NCc4cccc(c2ccc3c(c2)ncc3)c4;Nc1ncccc1NCc2cccc(c2)c3ccc4cc[nH]c4c3;c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N","InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)","","2007-01-12","2011-06-04","N~3~-[3-(1H-indol-6-yl)benzyl]pyridine-2,3-diamine",""],["IP7","N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE","C26 H23 N5 O","n1ccccc1COc4ccc(c2ccc3c(c2)ncc3)cc4CNc5cccnc5N;Nc1ncccc1NCc2cc(ccc2OCc3ccccn3)c4ccc5cc[nH]c5c4;c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4","InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30)","","2007-01-12","2011-06-04","N~3~-[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine",""],["IP8","Isopentenyl phosphate","C5 H11 O4 P","O=P(OCCC(=C)C)(O)O;CC(=C)CCO[P](O)(O)=O;CC(=C)CCOP(=O)(O)O","InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)","3-methylbut-3-en-1-yl dihydrogen phosphate","2009-10-21","2024-09-27","3-methylbut-3-en-1-yl dihydrogen phosphate",""],["IP9","(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane\n-1,2-diyl dioctanoate","C25 H50 O22 P4","O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC;CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC;CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC","InChI=1S/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t17-,20+,21+,22-,23+,24-,25-/m1/s1","L-a-Phosphatidyl-D-myo-inositol 3,4,5-triphosphate, dioctanoyl;\n[(2R)-3-[[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexyl]oxy-hydroxy-phosphoryl]oxy-2-octanoyloxy-propyl]\noctanoate","2010-07-28","2020-06-17","(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate",""],["IPA","ISOPROPYL ALCOHOL","C3 H8 O","OC(C)C;CC(C)O;CC(C)O","InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","2-PROPANOL","1999-07-08","2021-03-01","propan-2-ol",""],["IPB","5-METHYL-2-(1-METHYLETHYL)PHENOL","C10 H14 O","Oc1cc(ccc1C(C)C)C;CC(C)c1ccc(C)cc1O;Cc1ccc(c(c1)O)C(C)C","InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3","","2000-03-13","2011-06-04","5-methyl-2-(1-methylethyl)phenol",""],["IPC","3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID","C22 H21 N O3 S","O=C(O)c2sc(cc2N(C(=O)c1ccc(cc1)C)C(C)C)c3ccccc3;CC(C)N(C(=O)c1ccc(C)cc1)c2cc(sc2C(O)=O)c3ccccc3;Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C","InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)","","2005-03-02","2011-06-04","3-{(1-methylethyl)[(4-methylphenyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid",""],["IPD","D-MYO-INOSITOL-1-PHOSPHATE","C6 H11 O9 P","O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O;C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O","InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1","","1999-07-08","2024-09-27","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate",""],["IPE","3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE","C5 H12 O7 P2","O=P(OP(=O)(O)O)(OCCC(=C)C)O;CC(=C)CCO[P](O)(=O)O[P](O)(O)=O;CC(=C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)","ISOPENTENYL PYROPHOSPHATE","2005-03-16","2020-06-17","3-methylbut-3-en-1-yl trihydrogen diphosphate",""],["IPF","N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE","C50 H64 N8 O8","O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(O)C4N(C(=O)C(NC(=O)C(NC(=O)C)Cc3c2ccccc2nc3)C(C)C)CCC4)C(C)C)Cc6c5ccccc5nc6)C;CC(C)[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[CH](Cc3ccccc3)[CH](O)[CH](O)[CH]4CCCN4C(=O)[CH](NC(=O)[CH](Cc5c[nH]c6ccccc56)NC(C)=O)C(C)C;CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C2CCCN2C(=O)C(C(C)C)NC(=O)C(Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)C(Cc5c[nH]c6c5cccc6)NC(=O)C","InChI=1S/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1","","2005-06-27","2011-06-04","N-acetyl-L-tryptophyl-N-{(1S,2S,3S)-3-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}-L-valinamide",""],["IPG","N-ISOPROPYL GLYCINE","C5 H11 N O2","O=C(O)CNC(C)C;CC(C)NCC(O)=O;CC(C)NCC(=O)O","InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)","","1999-07-08","2024-09-27","N-(1-methylethyl)glycine",""],["IPH","PHENOL","C6 H6 O","Oc1ccccc1;Oc1ccccc1;c1ccc(cc1)O","InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H","","1999-07-08","2011-06-04","phenol",""],["IPI","3-methylbutylphosphonic acid","C5 H13 O3 P","CC(C)CC[P](O)(O)=O;CC(C)CCP(=O)(O)O","InChI=1S/C5H13O3P/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)","isoamylphosphonic acid","2011-01-21","2024-09-27","3-methylbutylphosphonic acid",""],["IPJ","4-hydroxy-chalcone","C15 H12 O2","Oc1ccc(cc1)C=CC(=O)c2ccccc2;c1ccc(cc1)C(=O)C=Cc2ccc(cc2)O","InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+","","2015-11-27","2016-01-22","(~{E})-3-(4-hydroxyphenyl)-1-phenyl-prop-2-en-1-one","2016-01-27"],["IPK","2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine","C26 H26 N4 O S","O=C(c1ccc(cc1)CSc3nc2ccncc2n3)N5CCC(Cc4ccccc4)CC5;O=C(N1CCC(CC1)Cc2ccccc2)c3ccc(CSc4[nH]c5cnccc5n4)cc3;c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4","InChI=1S/C26H26N4OS/c31-25(30-14-11-20(12-15-30)16-19-4-2-1-3-5-19)22-8-6-21(7-9-22)18-32-26-28-23-10-13-27-17-24(23)29-26/h1-10,13,17,20H,11-12,14-16,18H2,(H,28,29)","","2009-09-04","2011-06-04","(4-benzylpiperidin-1-yl){4-[(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)methyl]phenyl}methanone",""],["IPL","INDOLE-3-PROPANOL PHOSPHATE","C11 H14 N O4 P","O=P(O)(O)OCCCc2c1ccccc1nc2;O[P](O)(=O)OCCCc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O","InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)","","2000-06-30","2011-06-04","3-(1H-indol-3-yl)propyl dihydrogen phosphate",""],["IPM","3-ISOPROPYLMALIC ACID","C7 H12 O5","O=C(O)C(O)C(C(=O)O)C(C)C;CC(C)[CH]([CH](O)C(O)=O)C(O)=O;CC(C)C(C(C(=O)O)O)C(=O)O","InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1","","1999-07-08","2011-06-04","(2R,3S)-2-hydroxy-3-(1-methylethyl)butanedioic acid",""],["IPN","2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-5-IODOURACIL","C10 H14 I N4 O5","O=C(N(CC(=O)O)CC[NH3+])CN1C=C(I)C(=O)NC1=O;[NH3+]CCN(CC(O)=O)C(=O)CN1C=C(I)C(=O)NC1=O;C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I","InChI=1S/C10H13IN4O5/c11-6-3-15(10(20)13-9(6)19)4-7(16)14(2-1-12)5-8(17)18/h3H,1-2,4-5,12H2,(H,17,18)(H,13,19,20)/p+1","","1999-07-08","2011-06-04","2-{(carboxymethyl)[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]amino}ethanaminium",""],["IPO","PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID","C9 H11 I N2 O2","Ic1ccc(cc1)CC(C(=O)NO)N;N[CH](Cc1ccc(I)cc1)C(=O)NO;c1cc(ccc1CC(C(=O)NO)N)I","InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1","","1999-07-08","2011-06-04","N-hydroxy-4-iodo-D-phenylalaninamide",""],["IPP","(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID","C9 H11 I N O3 P","Ic1ccc(cc1)CC(=O)NCP(=O)O;O[PH](=O)CNC(=O)Cc1ccc(I)cc1;c1cc(ccc1CC(=O)NCP(=O)O)I","InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)","","1999-07-08","2024-09-27","(R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid",""],["IPQ","N7-(3,4-difluorobenzyl) guanine","C12 H10 F2 N5 O","Nc1nc(O)c2c([nH]c[n+]2Cc3ccc(F)c(F)c3)n1;c1cc(c(cc1C[n+]2c[nH]c3c2c(nc(n3)N)O)F)F","InChI=1S/C12H9F2N5O/c13-7-2-1-6(3-8(7)14)4-19-5-16-10-9(19)11(20)18-12(15)17-10/h1-3,5H,4H2,(H3,15,17,18,20)/p+1","2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9H-purin-7-ium-6-ol","2022-04-04","2022-08-22","2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9~{H}-purin-7-ium-6-ol","2022-05-25"],["IPR","ISOPENTYL PYROPHOSPHATE","C5 H14 O7 P2","O=P(OP(=O)(O)O)(OCCC(C)C)O;CC(C)CCO[P](O)(=O)O[P](O)(O)=O;CC(C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)","","2003-12-16","2011-06-04","3-methylbutyl trihydrogen diphosphate",""],["IPS","INORGANIC PHOSPHATE GROUP","H O4 P","[O-]P([O-])(=O)O;O[P]([O-])([O-])=O;OP(=O)([O-])[O-]","InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2/fHO4P/h1H/q-2","","1999-07-08","2008-10-14","hydrogen phosphate",""],["IPT","1-methylethyl 1-thio-beta-D-galactopyranoside","C9 H18 O5 S","S(C(C)C)C1OC(C(O)C(O)C1O)CO;CC(C)S[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CC(C)SC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1","ISOPROPYL-1-BETA-D-THIOGALACTOSIDE; 1-(ISOPROPYLTHIO)-BETA-GALACTOPYRANSIDE; 1-methylethyl 1-thio-beta-D-galactoside;\n1-methylethyl 1-thio-D-galactoside; 1-methylethyl 1-thio-galactoside","1999-07-08","2020-07-17","1-methylethyl 1-thio-beta-D-galactopyranoside",""],["IPU","S-ISOPROPYL-ISOTHIOUREA","C4 H10 N2 S","[N@H]=C(SC(C)C)N;CC(C)SC(N)=N;CC(C)SC(=N)N","InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)","","2000-02-02","2011-06-04","1-methylethyl imidothiocarbamate",""],["IPV","[4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol","C24 H29 N5 O4 S","CN(c1ccnc(Nc2cc(cc(c2)[S](C)(=O)=O)N3CCOCC3)n1)c4cc(CO)ccc4C;Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO","InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27)","","2016-06-08","2016-09-23","[4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol","2016-09-28"],["IPW","(4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone","C22 H20 Cl N5 O","Clc1ccc(cc1)C(=O)c2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5;c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl","InChI=1S/C22H20ClN5O/c23-17-3-1-14(2-4-17)21(29)20-12-26-22-19(20)9-15(10-25-22)16-11-27-28(13-16)18-5-7-24-8-6-18/h1-4,9-13,18,24H,5-8H2,(H,25,26)","","2016-06-08","2016-09-23","(4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone","2016-09-28"],["IPX","4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid","C22 H21 F N2 O3","O=C(O)CCCC4c1ccccc1CC4NC(=O)c3cc2cc(F)ccc2n3;OC(=O)CCC[CH]1[CH](Cc2ccccc12)NC(=O)c3[nH]c4ccc(F)cc4c3;c1ccc2c(c1)CC(C2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F","InChI=1S/C22H21FN2O3/c23-15-8-9-18-14(10-15)12-20(24-18)22(28)25-19-11-13-4-1-2-5-16(13)17(19)6-3-7-21(26)27/h1-2,4-5,8-10,12,17,19,24H,3,6-7,11H2,(H,25,28)(H,26,27)/t17-,19-/m1/s1","","2010-04-13","2011-06-04","4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid",""],["IPY","IMIDAZOLE-PYRROLE POLYAMIDE","C31 H42 N11 O5","O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C;Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4)C(=O)NCCC(=O)NCCC[NH+](C)C;Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C","InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1","IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE","1999-07-08","2021-03-01","N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium",""],["IPZ","2-ISOPROPYL-3-METHOXYPYRAZINE","C8 H12 N2 O","O(c1nccnc1C(C)C)C;COc1nccnc1C(C)C;CC(C)c1c(nccn1)OC","InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3","2-METHOXY-3-ISOPROPYLPYRAZINE","2003-09-16","2021-03-01","2-methoxy-3-(1-methylethyl)pyrazine",""],["IQ0","cyclopentanecarboxylic acid","C6 H10 O2","O=C(O)C1CCCC1;OC(=O)C1CCCC1;C1CCC(C1)C(=O)O","InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)","","2011-03-08","2012-01-13","cyclopentanecarboxylic acid",""],["IQ1","3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE","C21 H20 N4","n4c(c1cnc2c(c1)cccc2)c(c3ccncc3)nc4C(C)(C)C;CC(C)(C)c1[nH]c(c2ccncc2)c(n1)c3cnc4ccccc4c3;CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4","InChI=1S/C21H20N4/c1-21(2,3)20-24-18(14-8-10-22-11-9-14)19(25-20)16-12-15-6-4-5-7-17(15)23-13-16/h4-13H,1-3H3,(H,24,25)","","2011-08-15","2014-09-05","3-[2-tert-butyl-5-(pyridin-4-yl)-1H-imidazol-4-yl]quinoline",""],["IQ2","2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide","C11 H10 N2 O5 S2","CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O;CC#CCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N","InChI=1S/C11H10N2O5S2/c1-2-3-6-13-11(14)9-5-4-8(19(12,15)16)7-10(9)20(13,17)18/h4-5,7H,6H2,1H3,(H2,12,15,16)","","2023-08-02","2023-11-03","2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide","2023-11-08"],["IQ3","6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide","C23 H23 N7 O2","O=C(c1ccncc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)N1CCCC1;O=C(Nc1cnccc1C(=O)N2CCCC2)c3nc(ccc3Nc4cncnc4)C5CC5;c1cc(nc(c1Nc2cncnc2)C(=O)Nc3cnccc3C(=O)N4CCCC4)C5CC5","InChI=1S/C23H23N7O2/c31-22(29-20-13-24-8-7-17(20)23(32)30-9-1-2-10-30)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27H,1-4,9-10H2,(H,29,31)","","2022-01-26","2022-10-07","6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide","2022-10-12"],["IQ4","~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide","C29 H38 N6 O2 S6","Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2;c1cc(ccc1C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(cc2)O)O","InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)","Closthioamide","2022-04-06","2022-11-04","~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide","2022-11-09"],["IQ5","N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE","C10 H11 N3 O S","CC(=O)Nc1cc2nc(N)sc2cc1C;Cc1cc2c(cc1NC(=O)C)nc(s2)N","InChI=1S/C10H11N3OS/c1-5-3-9-8(13-10(11)15-9)4-7(5)12-6(2)14/h3-4H,1-2H3,(H2,11,13)(H,12,14)","","2015-11-13","2016-11-18","N-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide","2016-11-23"],["IQ6","6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine","C18 H19 Cl N4","Clc4nc(NC1CCCCC1)cc(c3c2cccnc2nc3)c4;Clc1cc(cc(NC2CCCCC2)n1)c3c[nH]c4ncccc34;c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4","InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)","","2013-01-24","2013-04-19","6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine","2013-04-24"],["IQ7","2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE","C23 H24 Cl N5 O3","COCCNC(=O)c1ccc2n(CCOC)c(nc2c1)c3[nH]c(nc3)c4ccc(Cl)cc4;COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl","InChI=1S/C23H24ClN5O3/c1-31-11-9-25-23(30)16-5-8-20-18(13-16)28-22(29(20)10-12-32-2)19-14-26-21(27-19)15-3-6-17(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,27)","","2015-09-24","2015-10-16","2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N,1-bis(2-methoxyethyl)benzimidazole-5-carboxamide","2015-10-21"],["IQ8","N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide","C14 H17 N3 O2 S","CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2;CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2","InChI=1S/C14H17N3O2S/c1-10(18)15-6-7-16-13(19)11-2-4-12(5-3-11)14-17-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19)","","2022-07-08","2024-09-27","~{N}-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide","2023-09-27"],["IQ9","4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole-5-carboxamide","C17 H22 N6 O2","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1ccn(n1)C1CCCC1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn(n3)C4CCCC4;Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn(n3)C4CCCC4","InChI=1S/C17H22N6O2/c1-21-15(13(11-18-21)17(25)22-8-4-9-22)16(24)19-14-7-10-23(20-14)12-5-2-3-6-12/h7,10-12H,2-6,8-9H2,1H3,(H,19,20,24)","","2022-01-26","2022-10-07","4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole-5-carboxamide","2022-10-12"],["IQA","(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID","C17 H12 N2 O3","O=C(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34;OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14;c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O","InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)","","2003-03-14","2011-06-04","(5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acid",""],["IQB","N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE","C20 H20 Br N3 O2 S","Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3;Brc1ccc(C=CCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1;c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br","InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+","H-89","1999-07-08","2021-03-01","N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide",""],["IQC","1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one","C32 H38 Cl F N8 O","CCC(=O)N1CC2(CCN(CC2)c3nc(NC4CCN(C)CC4)nc5c(F)c(c(Cl)cc35)c6c(C)ccc7[nH]ncc67)C1;CCC(=O)N1CC2(C1)CCN(CC2)c3c4cc(c(c(c4nc(n3)NC5CCN(CC5)C)F)c6c(ccc7c6cn[nH]7)C)Cl","InChI=1S/C32H38ClFN8O/c1-4-25(43)42-17-32(18-42)9-13-41(14-10-32)30-21-15-23(33)27(26-19(2)5-6-24-22(26)16-35-39-24)28(34)29(21)37-31(38-30)36-20-7-11-40(3)12-8-20/h5-6,15-16,20H,4,7-14,17-18H2,1-3H3,(H,35,39)(H,36,37,38)","","2022-07-11","2022-08-05","1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one","2022-08-10"],["IQD","5-hydroxyisoquinolin-1(4H)-one","C9 H7 N O2","O=C2N=CCc1c2cccc1O;Oc1cccc2C(=O)N=CCc12;c1cc2c(c(c1)O)CC=NC2=O","InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,5,11H,4H2","","2014-06-02","2014-10-10","5-hydroxyisoquinolin-1(4H)-one","2014-10-15"],["IQE","1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide","C15 H14 N2 O5 S2","N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1;c1ccc(cc1)CCN2C(=O)c3ccc(cc3S2(=O)=O)S(=O)(=O)N","InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20)","","2023-08-02","2023-11-03","1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide","2023-11-08"],["IQF","(4R)-5-ethyl-8-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","C17 H24 N8","Cn1nc(nc1CCc1nc2c(C)cnc(CC)n2n1)N1CCCC1;CCc1ncc(C)c2nc(CCc3nc(nn3C)N4CCCC4)nn12;CCc1ncc(c2n1nc(n2)CCc3nc(nn3C)N4CCCC4)C","InChI=1S/C17H24N8/c1-4-14-18-11-12(2)16-19-13(21-25(14)16)7-8-15-20-17(22-23(15)3)24-9-5-6-10-24/h11H,4-10H2,1-3H3","","2022-01-26","2022-10-07","(4R)-5-ethyl-8-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine","2022-10-12"],["IQG","N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)","C21 H22 N9 O7 P","O=P(O)(O)OCC6OC(n5cnc4c5N=C(Nc3c1ncccc1c2nc(N)n(c2c3)C)NC4=O)CC6O;Cn1c(N)nc2c1cc(NC3=Nc4n(cnc4C(=O)N3)[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6ncccc26;Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5C6CC(C(O6)COP(=O)(O)O)O)C(=O)N4","InChI=1S/C21H22N9O7P/c1-29-11-5-10(15-9(3-2-4-23-15)16(11)26-20(29)22)25-21-27-18-17(19(32)28-21)24-8-30(18)14-6-12(31)13(37-14)7-36-38(33,34)35/h2-5,8,12-14,31H,6-7H2,1H3,(H2,22,26)(H2,33,34,35)(H2,25,27,28,32)/t12-,13+,14+/m0/s1","","2013-11-06","2014-05-09","N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)","2014-05-14"],["IQH","2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid","C12 H10 Cl N O2 S","O=C(O)c1csc(CCc2cc(Cl)ccc2)n1;OC(=O)c1csc(CCc2cccc(Cl)c2)n1;c1cc(cc(c1)Cl)CCc2nc(cs2)C(=O)O","InChI=1S/C12H10ClNO2S/c13-9-3-1-2-8(6-9)4-5-11-14-10(7-17-11)12(15)16/h1-3,6-7H,4-5H2,(H,15,16)","","2023-05-05","2023-06-09","2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid","2023-06-14"],["IQJ","N-(2-acetamido-1,3-benzothiazol-5-yl)-4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide","C18 H18 N6 O3 S","O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(NC(C)=O)sc2cc1;Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccc4sc(NC(C)=O)nc4c3;CC(=O)Nc1nc2cc(ccc2s1)NC(=O)c3c(cnn3C)C(=O)N4CCC4","InChI=1S/C18H18N6O3S/c1-10(25)20-18-22-13-8-11(4-5-14(13)28-18)21-16(26)15-12(9-19-23(15)2)17(27)24-6-3-7-24/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,26)(H,20,22,25)","","2022-01-26","2022-10-07","N-(2-acetamido-1,3-benzothiazol-5-yl)-4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide","2022-10-12"],["IQK","N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)","C24 H22 N2 O6 S2","O=S(=O)(Nc3c1ccccc1c(NS(=O)(=O)c2ccc(OC)cc2)cc3)c4ccc(OC)cc4;COc1ccc(cc1)[S](=O)(=O)Nc2ccc(N[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24;COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC","InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3","","2013-01-15","2013-05-10","N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)","2013-05-15"],["IQL","N-methylpyrimidine-2-carboximidamide","C6 H8 N4","CNC(=N)c1ncccn1;CNC(=N)c1ncccn1","InChI=1S/C6H8N4/c1-8-5(7)6-9-3-2-4-10-6/h2-4H,1H3,(H2,7,8)","N'-methylpyrimidine-2-carboximidamide","2022-04-07","2022-08-22","~{N}-methylpyrimidine-2-carboximidamide","2022-04-20"],["IQM","5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide","C17 H15 F N2 O2","NC(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1;CNCc1ccc(cc1)c2oc3c(cc(F)cc3C(N)=O)c2;CNCc1ccc(cc1)c2cc3cc(cc(c3o2)C(=O)N)F","InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)","","2023-08-02","2024-04-19","5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide","2024-04-24"],["IQN","1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one","C33 H39 Cl F N7 O2","CCN1CCC(CC1)Oc2nc(N3CCC4(CC3)CN(C4)C(=O)CC)c5cc(Cl)c(c(F)c5n2)c6c(C)ccc7[nH]ncc67;CCC(=O)N1CC2(C1)CCN(CC2)c3c4cc(c(c(c4nc(n3)OC5CCN(CC5)CC)F)c6c(ccc7c6cn[nH]7)C)Cl","InChI=1S/C33H39ClFN7O2/c1-4-26(43)42-18-33(19-42)10-14-41(15-11-33)31-22-16-24(34)28(27-20(3)6-7-25-23(27)17-36-39-25)29(35)30(22)37-32(38-31)44-21-8-12-40(5-2)13-9-21/h6-7,16-17,21H,4-5,8-15,18-19H2,1-3H3,(H,36,39)","","2022-07-11","2022-08-05","1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one","2022-08-10"],["IQO","1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one","C34 H29 N7 O","O=C2Nc1ccccc1N2C8CCN(Cc7ccc(c4nc6c(nc4c3ccccc3)cc5ncnc5c6)cc7)CC8;O=C1Nc2ccccc2N1C3CCN(CC3)Cc4ccc(cc4)c5nc6cc7[nH]cnc7cc6nc5c8ccccc8;c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O","InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)","1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one","2010-08-05","2021-03-13","1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one",""],["IQP","1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE","C14 H17 N3 O2 S","O=S(=O)(c2c1ccncc1ccc2)N3C(C)CNCC3;C[CH]1CNCCN1[S](=O)(=O)c2cccc3cnccc23;CC1CNCCN1S(=O)(=O)c2cccc3c2ccnc3","InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1","H-7","1999-07-08","2020-06-17","5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline",""],["IQQ","3-(3-hydroxyphenyl)benzoic acid","C13 H10 O3","OC(=O)c1cccc(c1)c2cccc(O)c2;c1cc(cc(c1)C(=O)O)c2cccc(c2)O","InChI=1S/C13H10O3/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8,14H,(H,15,16)","","2017-07-27","2018-01-05","3-(3-hydroxyphenyl)benzoic acid","2018-01-10"],["IQR","4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol","C17 H16 N4 O","CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1;CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3ccnc(n3)N)O","InChI=1S/C17H16N4O/c1-17(2,22)7-5-11-3-4-14-12(9-11)13(10-20-14)15-6-8-19-16(18)21-15/h3-4,6,8-10,20,22H,1-2H3,(H2,18,19,21)","","2022-04-07","2023-04-14","4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol","2023-04-19"],["IQS","N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE","C12 H15 N3 O2 S","O=S(=O)(c1cccc2c1ccnc2)NCCNC;CNCCN[S](=O)(=O)c1cccc2cnccc12;CNCCNS(=O)(=O)c1cccc2c1ccnc2","InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3","H-8","1999-07-08","2020-06-17","N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide",""],["IQT","Korormicin","C25 H39 N O5","CCCCCCCC[CH]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)(CC)OC2=O;CCCCCCCCC1C(O1)CC=CC=CC(CC(=O)NC2=CC(OC2=O)(C)CC)O","InChI=1S/C25H39NO5/c1-4-6-7-8-9-12-15-21-22(30-21)16-13-10-11-14-19(27)17-23(28)26-20-18-25(3,5-2)31-24(20)29/h10-11,13-14,18-19,21-22,27H,4-9,12,15-17H2,1-3H3,(H,26,28)/b13-10+,14-11?/t19-,21+,22-,25-/m0/s1","","2022-07-11","2022-07-15","(3~{R})-~{N}-[(5~{S})-5-ethyl-5-methyl-2-oxidanylidene-furan-3-yl]-8-[(2~{S},3~{R})-3-octyloxiran-2-yl]-3-oxidanyl-octa-4,6-dienamide","2022-07-20"],["IQU","N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE","C11 H13 N3 O2 S","O=S(=O)(c1cccc2c1ccnc2)NCCN;NCCN[S](=O)(=O)c1cccc2cnccc12;c1cc2cnccc2c(c1)S(=O)(=O)NCCN","InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2","","2006-04-18","2011-06-04","N-(2-aminoethyl)isoquinoline-5-sulfonamide",""],["IQV","(4S)-5,8-dimethyl-2-{(E)-2-[1-methyl-3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyrazine","C15 H15 N9","Cc1ncc(C)n2nc(nc12)/C=C/c1nc(nn1C)c1c[NH]nc1;Cn1nc(nc1C=Cc2nn3c(C)cnc(C)c3n2)c4c[nH]nc4;Cc1cnc(c2n1nc(n2)C=Cc3nc(nn3C)c4c[nH]nc4)C","InChI=1S/C15H15N9/c1-9-6-16-10(2)15-19-12(21-24(9)15)4-5-13-20-14(22-23(13)3)11-7-17-18-8-11/h4-8H,1-3H3,(H,17,18)","","2022-01-26","2022-10-07","(4S)-5,8-dimethyl-2-{(E)-2-[1-methyl-3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyrazine","2022-10-12"],["IQW","5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","C13 H13 N5","n1c(c2c(nc1N)ncc2c3ccc(cc3)C)N;Cc1ccc(cc1)c2c[nH]c3nc(N)nc(N)c23;Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N","InChI=1S/C13H13N5/c1-7-2-4-8(5-3-7)9-6-16-12-10(9)11(14)17-13(15)18-12/h2-6H,1H3,(H5,14,15,16,17,18)","","2014-01-15","2015-01-16","5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","2015-01-21"],["IQX","N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide","C16 H16 F N5 O3 S3","O=S(=O)(c1sc(nc1C)C)Nc3cc(c2sc(nc2C)NC(=O)C)cnc3F;CC(=O)Nc1sc(c(C)n1)c2cnc(F)c(N[S](=O)(=O)c3sc(C)nc3C)c2;Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C","InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23)","N-[5-[5-[(2,4-dimethylthiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridyl]-4-methyl-thiazol-2-yl]acetamide","2010-04-13","2021-03-13","N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide",""],["IQY","1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol","C22 H24 N4 O","CCC(O)(CC)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1;CCC(CC)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O","InChI=1S/C22H24N4O/c1-3-22(27,4-2)11-10-14-8-9-17-16(12-14)19-18(25-17)7-5-6-15-13-24-21(23)26-20(15)19/h8-9,12-13,25,27H,3-7H2,1-2H3,(H2,23,24,26)","","2022-04-07","2023-04-14","1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol","2023-04-19"],["IQZ","(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one","C15 H16 N2 O","O=C1CN2CCCC[CH]2c3[nH]c4ccccc4c13;c1ccc2c(c1)c3c([nH]2)C4CCCCN4CC3=O","InChI=1S/C15H16N2O/c18-13-9-17-8-4-3-7-12(17)15-14(13)10-5-1-2-6-11(10)16-15/h1-2,5-6,12,16H,3-4,7-9H2/t12-/m0/s1","","2004-01-08","2011-06-04","(5S,12bS)-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one",""],["IR","IRIDIUM ION","Ir","[Ir+4];[Ir+4];[Ir+4]","InChI=1S/Ir/q+4","","1999-07-08","2019-12-12","iridium(4+)",""],["IR0","P8W48O184 polyoxometalate","O184 P8 W48","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]45O[W]67O[P]89O[W]%10%11O[W]1%12O[W]%13%14O[W]%15(O%12)O[W]%16%17O[W]%18%19O[P]%20%21O[W]%22%23O[W]%24%25O[P]%26%27O[W]%28(O%18)O[W]%29%30O[W](O%19)(O%16)O[W]%31(O%20)(O%22)O[W](O%21)(O%17)(O%23)O[W](O2)(O%15)(O4)O[W](O3)(O%13)(O5)O[W]%32(O8)(O[W](O%10)(O%14)O[W]%33(O%11)O[W]%34%35O[W]%36%37O[P]%38%39O[W]%40%41O[W]%42%43O[P]%44%45O[W]%46(O%36)O[W]%47%48O[W](O%37)(O%34)O[W](O%38)(O%40)(O[W](O%39)(O%35)(O%41)O[W](O9)(O%33)(O6)O%32)O[W](O%44)(O%47)(O%42)O[W]%49(O%45)(O[W](O%46)(O%48)O[W]%50%51O[W]%52%53O[P]%54%55O[W]%56%57O[W]%58%59O[P]%60%61O[W]%62(O%52)O[W]%63%64O[W](O%28)(O%29)O[W](O%26)(O%24)(O[W](O%27)(O%30)(O%25)O%31)O[W](O%60)(O%63)(O%58)O[W]%65(O%61)(O[W](O%62)(O%64)O[W](O%53)(O%50)O[W](O%54)(O%56)(O%65)O[W](O%55)(O%51)(O%57)O%49)O%59)O%43)O7;[O][W]123(O[P]45O[W]67(O[W]89(O[P]%10%11O[W]%12(O1)(O[W]1%13%14(O%10[W]%10(O8)(O1)(O[W]18(O9)(O%11[W](O%12)(O1)(O%13)(O[W]19(O2)(O4[W](O6)(O1)(O8)(O[W]12(O7)(O5[W](O3)(O1)(O9)(O[W]134(O[W]56(O[P]78O1[W]1(O3)(O2)(O[W]2(O7)(O[W]37(O[P]9%11O[W]%12(O5)(O[W]5%13%15(O9[W](O3)(O5)(O[W]35(O7)(O%11[W](O%12)(O3)(O%13)(O[W]3(O6)(O4)(O8[W](O2)(O3)(O1)(O5)[O])[O])[O])[O])(O[W]123(O[W]45(O[P]67O1[W]1(O2)(O%15)(O[W]2(O6)(O[W]68(O[P]9%11O[W]%12(O4)(O[W]4%13%15(O9[W](O6)(O4)(O[W]46(O8)(O%11[W](O%12)(O4)(O%13)(O[W]4(O5)(O3)(O7[W](O2)(O4)(O1)(O6)[O])[O])[O])[O])(O[W]123(O[W]45(O[P]67O1[W]1(O2)(O%15)(O[W]2(O6)(O[W]68(O[P]9%11O[W]%12(O4)(O[W]4%13(O%14)(O9[W](O6)(O4)(O%10)(O[W]46(O8)(O%11[W](O%12)(O4)(O%13)(O[W]4(O5)(O3)(O7[W](O2)(O4)(O1)(O6)[O])[O])[O])[O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])([O])[O])([O])[O])([O])[O])[O]","InChI=1S/8HO4P.64H2O.88O.48W/c8*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8*5H;64*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q8*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;32*+1;16*+3/p-64","","2023-08-03","2024-07-19","","2024-07-24"],["IR1","5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one","C18 H10 N6 O","O=C4N=Nc5nnc(c1c3ccccn3nc1c2ccccc2)cc45;O=C1N=Nc2nnc(cc12)c3c4ccccn4nc3c5ccccc5;c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O","InChI=1S/C18H10N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H","","2013-01-03","2013-08-16","5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one","2013-08-21"],["IR2","3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one","C27 H22 N4 O2","O=C1N(C=Nc2ccc(cc12)c3ccnc4ccccc34)c5ccc(cc5)N6CCOCC6;c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6","InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2","","2018-05-15","2018-05-18","3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one","2018-05-23"],["IR3","IRIDIUM (III) ION","Ir","[Ir+3];[Ir+3];[Ir+3]","InChI=1S/Ir/q+3","","2001-09-27","2011-06-04","iridium(3+)",""],["IR4","1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone","C19 H19 N3 O2","O=C(c2cc(c1ncccc1)c3cc(ccn23)N4CCOCC4)C;CC(=O)c1cc(c2ccccn2)c3cc(ccn13)N4CCOCC4;CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4","InChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3","","2013-01-16","2013-01-18","1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone","2013-01-18"],["IR5","1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone","C23 H19 N O3","O=C(c2cc(c3cc(Oc1ccccc1)ccn23)c4ccccc4CO)C;CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4CO;CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO","InChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3","","2013-01-16","2013-01-18","1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone","2013-01-18"],["IR6","1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone","C23 H19 N O4 S","O=S(=O)(c4ccccc4c1cc(C(=O)C)n3c1cc(Oc2ccccc2)cc3)C;CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4[S](C)(=O)=O;CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C","InChI=1S/C23H19NO4S/c1-16(25)21-15-20(19-10-6-7-11-23(19)29(2,26)27)22-14-18(12-13-24(21)22)28-17-8-4-3-5-9-17/h3-15H,1-2H3","","2013-01-16","2013-01-18","1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone","2013-01-18"],["IR7","(4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid","C19 H25 N3 O5","O=C(O)COc1ccc(cc1)C(=O)CN1CCN(CC1=O)C1CCNCC1;OC(=O)COc1ccc(cc1)C(=O)CN2CCN(CC2=O)C3CCNCC3;c1cc(ccc1C(=O)CN2CCN(CC2=O)C3CCNCC3)OCC(=O)O","InChI=1S/C19H25N3O5/c23-17(14-1-3-16(4-2-14)27-13-19(25)26)11-22-10-9-21(12-18(22)24)15-5-7-20-8-6-15/h1-4,15,20H,5-13H2,(H,25,26)","","2022-01-26","2022-08-12","(4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid","2022-08-17"],["IR8","[(2R,3S,4R,5R)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]","C6 H15 N O10 P2","O=P(O)(O)OCC1NC(COP(O)(O)=O)C(C1O)O;O[CH]1[CH](O)[CH](CO[P](O)(O)=O)N[CH]1CO[P](O)(O)=O;C(C1C(C(C(N1)COP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C6H15NO10P2/c8-5-3(1-16-18(10,11)12)7-4(6(5)9)2-17-19(13,14)15/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5-,6+/m1/s1","","2017-04-26","2017-12-22","[(2R,3R,4S,5R)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]","2017-12-27"],["IR9","[(2S,3R,4S,5S)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]","C6 H15 N O10 P2","O=P(O)(OCC1C(C(C(N1)COP(O)(O)=O)O)O)O;O[CH]1[CH](O)[CH](CO[P](O)(O)=O)N[CH]1CO[P](O)(O)=O;C(C1C(C(C(N1)COP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C6H15NO10P2/c8-5-3(1-16-18(10,11)12)7-4(6(5)9)2-17-19(13,14)15/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5-,6+/m0/s1","","2017-04-26","2017-12-22","[(2S,3R,4S,5S)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]","2017-12-27"],["IRA","(5-bromo-2-methoxyphenyl)acetic acid","C9 H9 Br O3","Brc1cc(c(OC)cc1)CC(=O)O;COc1ccc(Br)cc1CC(O)=O;COc1ccc(cc1CC(=O)O)Br","InChI=1S/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)","","2010-10-09","2012-01-13","(5-bromo-2-methoxyphenyl)acetic acid",""],["IRB","(2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid","C17 H10 Br N3 O4","ON=C1C(Nc2ccc(cc12)C(O)=O)=C3C(=O)Nc4c(Br)cccc34;c1cc2c(c(c1)Br)NC(=O)C2=C3C(=NO)c4cc(ccc4N3)C(=O)O","InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,19,25H,(H,20,22)(H,23,24)/b15-12-,21-14+","Indirubin-3'-monoxime derivative, (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-[2,3'-biindolinylidene]-5-carboxylic acid","2009-12-01","2020-06-17","(2Z,3E)-2-(7-bromo-2-oxo-1H-indol-3-ylidene)-3-hydroxyimino-1H-indole-5-carboxylic acid",""],["IRC","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl\n]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate","C27 H46 N7 O18 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)CC(C)C;CC(C)C[CH](O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O","InChI=1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1","(R)-2-hydroxy-4-methylpentanoyl-CoA","2010-07-28","2020-06-17","S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxy-4-methylpentanethioate (non-preferred name)",""],["IRD","(3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol","C21 H22 N4 O","CC[C](C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1;CCC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O","InChI=1S/C21H22N4O/c1-3-21(2,26)10-9-13-7-8-16-15(11-13)18-17(24-16)6-4-5-14-12-23-20(22)25-19(14)18/h7-8,11-12,24,26H,3-6H2,1-2H3,(H2,22,23,25)/t21-/m0/s1","","2022-04-07","2023-04-14","(3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol","2023-04-19"],["IRE","Gefitinib","C22 H24 Cl F N4 O3","Fc1ccc(cc1Cl)Nc1ncnc2cc(OC)c(cc12)OCCCN1CCOCC1;COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4;COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F","InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)","","2006-05-25","2024-03-19","N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine",""],["IRF","1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN-10(2H)-YL)-D-RIBITOL","C16 H17 I N4 O6","Ic2cc1N(C3=NC(=O)NC(=O)C3=Nc1cc2C)CC(O)C(O)C(O)CO;Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO)c2cc1I;Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O","InChI=1S/C16H17IN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1","8-IODO-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)","2006-08-01","2021-03-13","1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol",""],["IRG","N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine","C17 H16 N4","n2c1c(ccc(c1)N)c(nc2c3ccccc3)NC4CC4;Nc1ccc2c(NC3CC3)nc(nc2c1)c4ccccc4;c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N","InChI=1S/C17H16N4/c18-12-6-9-14-15(10-12)20-16(11-4-2-1-3-5-11)21-17(14)19-13-7-8-13/h1-6,9-10,13H,7-8,18H2,(H,19,20,21)","","2012-02-08","2012-11-30","N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine","2012-11-30"],["IRH","isorhamnetin","C16 H12 O7","COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O;COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O","InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3","3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one","2018-08-30","2020-06-17","3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one","2019-01-23"],["IRI","IRIDIUM HEXAMMINE ION","H18 Ir N6","N.N.N.N.N.N.[Ir+3];[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]","InChI=1S/Ir.6H3N/h;6*1H3/q+3;;;;;;","","2001-04-02","2023-09-23","hexakis($l^{4}-azanyl)iridium(3+)",""],["IRJ","4-benzylbenzoic acid","C14 H12 O2","O=C(O)c1ccc(Cc2ccccc2)cc1;OC(=O)c1ccc(Cc2ccccc2)cc1;c1ccc(cc1)Cc2ccc(cc2)C(=O)O","InChI=1S/C14H12O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)","","2023-08-03","2023-10-20","4-benzylbenzoic acid","2023-10-25"],["IRK","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","C21 H37 N3 O8 S","CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1C[CH]1COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1","","2022-01-27","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2022-03-02"],["IRL","(2R)-2-({(2S)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name)","C36 H35 N3 O4","O=C(c1cc(cc(c1)C)C)N(C)C(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)Cc5ccc(c4ccccc4)cc5;CN([CH](Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O)C(=O)c5cc(C)cc(C)c5;Cc1cc(cc(c1)C(=O)N(C)C(Cc2ccc(cc2)c3ccccc3)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O)C","InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m1/s1","","2013-06-23","2013-06-28","(2R)-2-({(2S)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name)","2013-07-03"],["IRM","1,2-Dihydro-psi,psi-caroten-1-ol","C40 H58 O","CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O;CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)C)C)C)C","InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+","Rhodopin; (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol","2022-04-07","2022-10-05","(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol","2022-10-05"],["IRN","1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole","C8 H13 N2 O7 P","O=P(O)(O)OCC2OC(n1cncc1)C(O)C2O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2ccnc2;c1cn(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/t5-,6-,7-,8-/m1/s1","","2008-10-03","2011-06-04","1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole",""],["IRO","5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C5 H3 I N2 O4","O=C1NC(C(=O)O)=C(I)C(=O)N1;OC(=O)C1=C(I)C(=O)NC(=O)N1;C1(=C(NC(=O)NC1=O)C(=O)O)I","InChI=1S/C5H3IN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)","5-iodoorotic acid","2012-11-19","2020-06-17","5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-20"],["IRP","(1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE","C11 H15 N4 O7 P","O=P(OCC3NC(c2c1N=CNC(=O)c1nc2)C(O)C3O)(O)O;O[CH]1[CH](CO[P](O)(O)=O)N[CH]([CH]1O)c2c[nH]c3C(=O)NC=Nc23;c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(N3)COP(=O)(O)O)O)O","InChI=1S/C11H15N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,12,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7+,9-,10+/m1/s1","","1999-07-08","2011-06-04","[(2R,3R,4S,5S)-3,4-dihydroxy-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidin-2-yl]methyl dihydrogen phosphate",""],["IRQ","lambda-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)","C37 H25 F4 Ir N5 O2","Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7;c1c(cc2c(c1F)C3=[N]([Ir+3]245(c6cc(cc(c6C7=CC=CC=[N]47)F)F)[N]8=C(C=CC=C8)C9=[N]5C=C(C=C9)CN1C(=O)CCC1=O)C=CC=C3)F","InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-5,8-9H,6-7,10H2;2*1-4,6-7H;/q;;;+3","","2022-08-27","2024-09-27","","2023-03-15"],["IRR","N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide","C21 H35 N3 O5","CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C=O;CCC[CH]1C[CH]1COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C=O;CCCC1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O","InChI=1S/C21H35N3O5/c1-4-5-14-9-16(14)12-29-21(28)24-18(8-13(2)3)20(27)23-17(11-25)10-15-6-7-22-19(15)26/h11,13-18H,4-10,12H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15+,16+,17+,18+/m1/s1","","2022-01-27","2024-09-27","N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide","2022-02-09"],["IRS","2-methylprop-2-en-1-amine","C4 H9 N","C=C(/C)CN;CC(=C)CN;CC(=C)CN","InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3","","2010-11-10","2012-01-13","2-methylprop-2-en-1-amine",""],["IRU","1~{H}-pyrazol-5-ylmethanol","C4 H6 N2 O","OCc1[nH]ncc1;c1cn[nH]c1CO","InChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)","","2022-04-11","2023-01-20","1~{H}-pyrazol-5-ylmethanol","2023-01-25"],["IRV","(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid","C17 H21 N3 O3","OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCn2ccnc2;c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCn2ccnc2","InChI=1S/C17H21N3O3/c21-16(8-4-5-10-20-11-9-18-13-20)19-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,15H,4-5,8,10,12H2,(H,19,21)(H,22,23)/t15-/m0/s1","","2022-07-12","2023-05-19","(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid","2023-05-24"],["IRW","(1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C25 H37 N3 O9 S","COc1ccc(cc1)C1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;COc1ccc(cc1)[CH]2C[CH]2COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC2c3ccc(cc3)OC","InChI=1S/C25H37N3O9S/c1-14(2)10-20(23(30)27-21(24(31)38(33,34)35)12-16-8-9-26-22(16)29)28-25(32)37-13-17-11-19(17)15-4-6-18(36-3)7-5-15/h4-7,14,16-17,19-21,24,31H,8-13H2,1-3H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t16-,17-,19-,20-,21-,24-/m0/s1","","2022-01-27","2024-09-27","(1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-02-09"],["IRX","5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide","C19 H23 N3 O3","Cc1oc(nc1C(=O)NCCN2CCCCCC2=O)c3ccccc3;Cc1c(nc(o1)c2ccccc2)C(=O)NCCN3CCCCCC3=O","InChI=1S/C19H23N3O3/c1-14-17(21-19(25-14)15-8-4-2-5-9-15)18(24)20-11-13-22-12-7-3-6-10-16(22)23/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,24)","","2022-07-14","2023-04-21","5-methyl-~{N}-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide","2023-04-26"],["IRY","[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate","C17 H34 O4 Se","CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO;CCCCCC[Se]CCCCCCCC(=O)OCC(CO)O","InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1","","2023-08-03","2024-09-27","[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate","2024-05-15"],["IRZ","N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C24 H32 Cl N3 O5","Clc1cccc(c1)C1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=O;CC(C)C[CH](NC(=O)OC[CH]1C[CH]1c2cccc(Cl)c2)C(=O)N[CH](C[CH]3CCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2CC2c3cccc(c3)Cl","InChI=1S/C24H32ClN3O5/c1-14(2)8-21(23(31)27-19(12-29)10-16-6-7-26-22(16)30)28-24(32)33-13-17-11-20(17)15-4-3-5-18(25)9-15/h3-5,9,12,14,16-17,19-21H,6-8,10-11,13H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-/m0/s1","","2022-01-27","2024-09-27","N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2022-06-22"],["IS0","4-bromanyl-1,2-dimethoxy-benzene","C8 H9 Br O2","COc1ccc(Br)cc1OC;COc1ccc(cc1OC)Br","InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3","","2022-04-11","2022-11-18","4-bromanyl-1,2-dimethoxy-benzene","2022-11-23"],["IS1","3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium","C29 H38 N3 O6","O=C(c1ccccc1)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4OC(C(O)C4O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)[n+]2cccc(C=CC(=O)NCCCCC3CCN(CC3)C(=O)c4ccccc4)c2;c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4C(C(C(O4)CO)O)O","InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1","3-((E)-3-(4-(1-benzoylpiperidin-4-yl)butylamino)-3-oxoprop-1-enyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium","2009-02-22","2021-03-13","3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium",""],["IS2","[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID","C9 H12 N O4 P","CCc1ccc(NC(=O)[P](O)(O)=O)cc1;CCc1ccc(cc1)NC(=O)P(=O)(O)O","InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14)","ISO24","2003-06-20","2020-06-17","(4-ethylphenyl)carbamoylphosphonic acid",""],["IS3","Isopentenyl Diphosphate Beta-S","C5 H14 O6 P2 S","O=P(O)(OP(=O)(OCCC(C)C)O)S;CC(C)CCO[P](O)(=O)O[P](O)(S)=O;CC(C)CCOP(=O)(O)OP(=O)(O)S","InChI=1S/C5H14O6P2S/c1-5(2)3-4-10-12(6,7)11-13(8,9)14/h5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,14)","O-(3-methylbutyl) trihydrogen thiodiphosphate","2009-10-21","2021-03-01","O-(3-methylbutyl) trihydrogen thiodiphosphate",""],["IS4","(7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","C23 H30 Br N5 O4","CCC(=O)N1CCC(CC1)[CH]2CCNc3n2nc(c4cc(OC)c(Br)c(OC)c4)c3C(N)=O;CCC(=O)N1CCC(CC1)C2CCNc3n2nc(c3C(=O)N)c4cc(c(c(c4)OC)Br)OC","InChI=1S/C23H30BrN5O4/c1-4-18(30)28-9-6-13(7-10-28)15-5-8-26-23-19(22(25)31)21(27-29(15)23)14-11-16(32-2)20(24)17(12-14)33-3/h11-13,15,26H,4-10H2,1-3H3,(H2,25,31)/t15-/m0/s1","","2022-07-14","2024-09-27","(7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide","2023-05-17"],["IS5","N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","C24 H32 F N3 O5","Fc1cccc(c1)C1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=O;CC(C)C[CH](NC(=O)OC[CH]1C[CH]1c2cccc(F)c2)C(=O)N[CH](C[CH]3CCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2CC2c3cccc(c3)F","InChI=1S/C24H32FN3O5/c1-14(2)8-21(23(31)27-19(12-29)10-16-6-7-26-22(16)30)28-24(32)33-13-17-11-20(17)15-4-3-5-18(25)9-15/h3-5,9,12,14,16-17,19-21H,6-8,10-11,13H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-/m0/s1","","2022-01-27","2024-09-27","N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide","2022-06-22"],["IS6","(2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide","C10 H13 Br N2 O2","CC(=O)N1CCC[CH]1C(=O)NCC#CBr;CC(=O)N1CCCC1C(=O)NCC#CBr","InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1","","2022-04-12","2022-11-18","(2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide","2022-11-23"],["IS7","1,5-dimethyl-3~{H}-indol-2-one","C10 H11 N O","CN1C(=O)Cc2cc(C)ccc12;Cc1ccc2c(c1)CC(=O)N2C","InChI=1S/C10H11NO/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3","","2020-05-05","2024-09-27","1,5-dimethyl-3~{H}-indol-2-one","2021-05-12"],["IS8","isothiocyanate","C H N S","N=C=S;C(=N)=S","InChI=1S/CHNS/c2-1-3/h2H","","2017-03-29","2017-06-16","isothiocyanic acid","2017-06-21"],["IS9","dimethylcarbamodithioic acid","C3 H7 N S2","CN(C)C(S)=S;CN(C)C(=S)S","InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)","","2023-08-03","2024-09-27","dimethylcarbamodithioic acid","2023-11-01"],["ISA","3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID","C9 H9 I O2 S","Ic1ccc(cc1)CC(S)C(=O)O;OC(=O)[CH](S)Cc1ccc(I)cc1;c1cc(ccc1CC(C(=O)O)S)I","InChI=1S/C9H9IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8,13H,5H2,(H,11,12)/t8-/m0/s1","PD150606","1999-07-08","2020-06-17","(2S)-3-(4-iodophenyl)-2-sulfanylpropanoic acid",""],["ISB","ISOBUTYRIC ACID","C4 H8 O2","O=C(O)C(C)C;CC(C)C(O)=O;CC(C)C(=O)O","InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/f/h5H","","2000-08-18","2008-10-14","2-methylpropanoic acid",""],["ISC","(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid","C10 H10 O6","O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1O;O[CH]1[CH](OC(=C)C(O)=O)C=CC=C1C(O)=O;C=C(C(=O)O)OC1C=CC=C(C1O)C(=O)O","InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1","ISOCHORISMIC ACID","2003-01-15","2021-03-01","(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid",""],["ISD","ISOASCORBIC ACID","C6 H8 O6","O=C1OC(C(O)=C1O)C(O)CO;OC[CH](O)[CH]1OC(=O)C(=C1O)O;C(C(C1C(=C(C(=O)O1)O)O)O)O","InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1","(5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYFURAN-2(5H)-ONE","2007-04-24","2020-07-17","(5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)",""],["ISE","(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone","C6 H10 O6","O=C1C(O)C(O)C(O)C(O)C1O;O[CH]1[CH](O)[CH](O)C(=O)[CH](O)[CH]1O;C1(C(C(C(=O)C(C1O)O)O)O)O","InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5-","Inosose; Myo-inosose","2010-07-08","2020-05-27","(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone",""],["ISF","P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID","C14 H11 I O3 S","O=C(c1ccc(cc1)C(C(=O)O)C)c2sc(I)cc2;C[CH](C(O)=O)c1ccc(cc1)C(=O)c2sc(I)cc2;CC(c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O","InChI=1S/C14H11IO3S/c1-8(14(17)18)9-2-4-10(5-3-9)13(16)11-6-7-12(15)19-11/h2-8H,1H3,(H,17,18)/t8-/m0/s1","","1999-07-08","2011-06-04","(2S)-2-{4-[(5-iodothiophen-2-yl)carbonyl]phenyl}propanoic acid",""],["ISG","N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide","C24 H33 N3 O5","CC(C)CC(NC(=O)OCC1CC1c1ccccc1)C(=O)NC(CC1CCNC1=O)C=O;CC(C)C[CH](NC(=O)OC[CH]1C[CH]1c2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)C=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2CC2c3ccccc3","InChI=1S/C24H33N3O5/c1-15(2)10-21(23(30)26-19(13-28)11-17-8-9-25-22(17)29)27-24(31)32-14-18-12-20(18)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,19-,20-,21-/m0/s1","","2022-01-27","2024-09-27","N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide","2022-06-22"],["ISH","(7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine","C17 H27 N5 O","CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)Cc3c12;CN(C)CCCn1c2c(ccc3c2CC(O3)CN(C)C)nc1N","InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)/t12-/m1/s1","","2010-02-25","2011-06-04","(7R)-7-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine",""],["ISI","(7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine","C17 H27 N5 O","CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)Cc3c12;CN(C)CCCn1c2c(ccc3c2CC(O3)CN(C)C)nc1N","InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)/t12-/m0/s1","","2010-02-17","2011-06-04","(7S)-7-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine",""],["ISJ","(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid","C10 H10 O6","O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1;O[CH]1C=CC(=C[CH]1OC(=C)C(O)=O)C(O)=O;C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O","InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1","Chorismic Acid","2011-08-29","2020-06-17","(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid",""],["ISK","2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide","C7 H9 Br N2 O2","CC(=O)NCC(=O)NCC#CBr;CC(=O)NCC(=O)NCC#CBr","InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)","","2022-04-11","2022-11-18","2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide","2022-11-23"],["ISL","6-O-alpha-D-glucopyranosyl-D-fructose","C12 H22 O11","O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO;OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)C(=O)CO)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OCC(C(C(C(=O)CO)O)O)O)O)O)O)O","InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1","6-O-alpha-D-glucosyl-D-fructose; 6-O-D-glucosyl-D-fructose; 6-O-glucosyl-D-fructose","2012-10-03","2020-07-17","6-O-alpha-D-glucopyranosyl-D-fructose","2013-09-25"],["ISM","5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZOIC ACID","C10 H11 N O4","O=C(O)c1cc(N)ccc1CC(=O)OC;COC(=O)Cc1ccc(N)cc1C(O)=O;COC(=O)Cc1ccc(cc1C(=O)O)N","InChI=1S/C10H11NO4/c1-15-9(12)4-6-2-3-7(11)5-8(6)10(13)14/h2-3,5H,4,11H2,1H3,(H,13,14)","","2010-08-24","2024-09-27","5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid",""],["ISN","ISATIN","C8 H5 N O2","O=C2c1ccccc1NC2=O;O=C1Nc2ccccc2C1=O;c1ccc2c(c1)C(=O)C(=O)N2","InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)","","2003-07-08","2024-09-27","1H-indole-2,3-dione",""],["ISO","PARA-ISOPROPYLANILINE","C9 H13 N","Nc1ccc(cc1)C(C)C;CC(C)c1ccc(N)cc1;CC(C)c1ccc(cc1)N","InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3","","1999-07-08","2011-06-04","4-(propan-2-yl)aniline",""],["ISP","PHOSPHORYLISOPROPANE","C3 H9 O4 P","O=P(O)(O)OC(C)C;CC(C)O[P](O)(O)=O;CC(C)OP(=O)(O)O","InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)","","1999-07-08","2024-09-27","1-methylethyl dihydrogen phosphate",""],["ISQ","ISOQUINOLINE","C9 H7 N","n2ccc1c(cccc1)c2;c1ccc2cnccc2c1;c1ccc2cnccc2c1","InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H","","1999-07-08","2011-06-04","isoquinoline",""],["ISS","(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal","C7 H11 N O3","O=C(CN/C=C/C=O)CCO;OCCC(=O)CNC=CC=O;C(CO)C(=O)CNC=CC=O","InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-4,8,10H,2,5-6H2/b3-1+","","2007-10-24","2024-09-27","(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal",""],["IST","ISOSTATINE","C8 H17 N O3","O=C(O)CC(O)C(N)C(CC)C;CC[CH](C)[CH](N)[CH](O)CC(O)=O;CCC(C)C(C(CC(=O)O)O)N","InChI=1S/C8H17NO3/c1-3-5(2)8(9)6(10)4-7(11)12/h5-6,8,10H,3-4,9H2,1-2H3,(H,11,12)/t5-,6-,8?/m0/s1","","2004-04-15","2011-06-04","(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoic acid",""],["ISU","SE-ETHYL-ISOSELENOUREA","C3 H8 N2 Se","[N@H]=C([Se]CC)N;CC[Se]C(N)=N;[H]N=C(N)[Se]CC","InChI=1S/C3H8N2Se/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)","","1999-07-28","2011-06-04","ethyl imidoselenocarbamate",""],["ISW","{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron","C34 H34 Fe N4 O4","O=C(O)CCC3=C(C4=Cc1n6c(c(c1C=C)C)CC2N5=C(C(=C2C=C)C)C=C7C(=C(C8=CC3=N4[Fe]56N78)CCC(=O)O)C)C;CC1=C(CCC(O)=O)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)[CH]6Cc8n5c(C=C13)c(C=C)c8C)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C","InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13,15-16,29H,1-2,9-12,14H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/t29-;/m0./s1","Isoporphyrin containing Fe","2011-06-02","2024-09-27","{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron","2013-09-04"],["ISX","(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside","C12 H23 N O8","O(C1CNCC(CO)C1O)C2OC(C(O)C(O)C2O)CO;OC[CH]1CNC[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O;C1C(C(C(CN1)OC2C(C(C(C(O2)CO)O)O)O)O)CO","InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(8(5)16)20-12-11(19)10(18)9(17)7(4-15)21-12/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1","GLUCOSE BETA-1,3-ISOFAGAMINE; (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucoside;\n(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl D-glucoside; (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl\nglucoside","2005-06-27","2020-07-17","(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside",""],["ISY","3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid","C5 H12 O6 P2 S","O=P(O)(OP(=O)(O)SCCC(=C)C)O;CC(=C)CCS[P](O)(=O)O[P](O)(O)=O;CC(=C)CCSP(=O)(O)OP(=O)(O)O","InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)","Isopentyl S-Thiolodiphosphate","2010-11-08","2021-03-01","S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate",""],["ISZ","4-(DIAZENYLCARBONYL)PYRIDINE","C6 H5 N3 O","O=C(N=[N@H])c1ccncc1;N=NC(=O)c1ccncc1;[H]N=NC(=O)c1ccncc1","InChI=1S/C6H5N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4,7H/b9-7+","ISONIAZID; TUBAZID; RIMITSID; ISONICOTINYLHYDRAZINE; LANIZID; NYDRAZID","2004-08-17","2020-06-17","4-[(E)-diazenylcarbonyl]pyridine",""],["IT0","3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid","C17 H13 N3 O4","OC(=O)c1cccc(n2cc(Cc3ccccc3)nn2)c1C(O)=O;c1ccc(cc1)Cc2cn(nn2)c3cccc(c3C(=O)O)C(=O)O","InChI=1S/C17H13N3O4/c21-16(22)13-7-4-8-14(15(13)17(23)24)20-10-12(18-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,22)(H,23,24)","","2022-07-14","2023-06-02","3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid","2023-06-07"],["IT1","(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid","C14 H22 N3 O7 P","c1(ncc(c(c1O)C=NCCCCC(N)C(O)=O)COP(=O)(O)O)C;Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N)O","InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1","","2008-01-03","2018-01-10","(E)-N~6~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine",""],["IT2","morpholine-4-carbodithioic acid","C5 H9 N O S2","S=C(S)N1CCOCC1;SC(=S)N1CCOCC1;C1COCCN1C(=S)S","InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)","","2010-10-11","2011-10-14","morpholine-4-carbodithioic acid",""],["IT3","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","C21 H37 N3 O8 S","CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1C[CH]1COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14+,15+,16+,17+,20+/m1/s1","","2022-01-27","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2022-02-09"],["IT4","4-bromanyl-2-oxidanyl-benzoic acid","C7 H5 Br O3","OC(=O)c1ccc(Br)cc1O;c1cc(c(cc1Br)O)C(=O)O","InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)","","2022-04-11","2022-11-18","4-bromanyl-2-oxidanyl-benzoic acid","2022-11-23"],["IT5","4-cyano-4-phenylpiperidine-1-carbodithioic acid","C13 H14 N2 S2","S=C(S)N2CCC(C#N)(c1ccccc1)CC2;SC(=S)N1CCC(CC1)(C#N)c2ccccc2;c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N","InChI=1S/C13H14N2S2/c14-10-13(11-4-2-1-3-5-11)6-8-15(9-7-13)12(16)17/h1-5H,6-9H2,(H,16,17)","","2010-10-12","2011-10-14","4-cyano-4-phenylpiperidine-1-carbodithioic acid",""],["IT6","2-chloranyl-~{N},9-dimethyl-purin-6-amine","C7 H8 Cl N5","CNc1nc(Cl)nc2n(C)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)C","InChI=1S/C7H8ClN5/c1-9-5-4-6(12-7(8)11-5)13(2)3-10-4/h3H,1-2H3,(H,9,11,12)","","2023-08-03","2023-12-01","2-chloranyl-~{N},9-dimethyl-purin-6-amine","2023-12-06"],["IT8","(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide","C10 H15 Br N2 O2","CC(C)[CH](NC(C)=O)C(=O)NCC#CBr;CC(C)C(C(=O)NCC#CBr)NC(=O)C","InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1","","2022-04-12","2022-11-18","(2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide","2022-11-23"],["IT9","(-)-Isopiperitenone","C10 H14 O","CC(=C)[CH]1CCC(=CC1=O)C;CC1=CC(=O)C(CC1)C(=C)C","InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1","","2016-06-27","2016-08-24","(6~{R})-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one","2016-08-31"],["ITA","{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID","C16 H11 N O9 S","O=C(O)COC(=O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O;OC(=O)COC(=O)c1cc2ccccc2c3C(=O)N(CC(O)=O)[S](=O)(=O)c13;c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O","InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21)","2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[ 1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID CARBOXYMETHYL ESTER","2006-11-15","2021-03-13","{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid",""],["ITB","2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE","C14 H9 N O7 S","O=C(O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O;OC(=O)CN1C(=O)c2c3ccccc3cc(C(O)=O)c2[S]1(=O)=O;c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O","InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20)","2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID","2006-11-15","2020-06-17","2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide",""],["ITC","ISO-7-CHLORTETRACYCLINE","C22 H23 Cl N2 O8","O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C(=O)N)=C(O)C4N(C)C;CN(C)[CH]1[CH]2C[CH](CC(=O)[C]2(O)C(=O)C(=C1O)C(N)=O)[C]3(C)OC(=O)c4c(O)ccc(Cl)c34;CC1(c2c(ccc(c2C(=O)O1)O)Cl)C3CC4C(C(=C(C(=O)C4(C(=O)C3)O)C(=O)N)O)N(C)C","InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1","(4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBOXAMIDE","2010-03-15","2021-03-13","(4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxamide",""],["ITD","(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate","C21 H34 N4 S2","N2=C1SC=C(N1CC2(C)C)CSC(=N/C3CCCCC3)NC4CCCCC4;CC1(C)CN2C(=CSC2=N1)CSC(NC3CCCCC3)=NC4CCCCC4;CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C","InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)","","2010-10-08","2011-06-04","(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate",""],["ITE","2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","C10 H9 N5 O","O=C2c3cc1nc(nc1cc3N=CN2)NC;CNc1[nH]c2cc3C(=O)NC=Nc3cc2n1;CNc1[nH]c2cc3c(cc2n1)N=CNC3=O","InChI=1S/C10H9N5O/c1-11-10-14-7-2-5-6(3-8(7)15-10)12-4-13-9(5)16/h2-4H,1H3,(H2,11,14,15)(H,12,13,16)","","2011-05-27","2012-05-11","2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["ITF","2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate","C6 H10 N4 S","NC(=N)SCCc1[nH]cnc1;c1c([nH]cn1)CCSC(=N)N","InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)","","2022-07-14","2023-10-20","2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate","2023-10-25"],["ITG","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","C21 H37 N3 O8 S","CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1C[CH]1COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14+,15+,16+,17+,20-/m1/s1","","2022-01-27","2024-09-27","(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2022-02-09"],["ITH","4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione","C12 H20 N4 O4","C[CH]([CH](C)[NH+]1CC(=O)NC(=O)C1)[NH+]2CC(=O)NC(=O)C2;CC(C(C)[NH+]1CC(=O)NC(=O)C1)[NH+]2CC(=O)NC(=O)C2","InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/p+2/t7-,8+","","2022-04-11","2022-08-22","4-[(2~{S},3~{R})-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione","2022-05-25"],["ITI","N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide","C33 H29 N7 O2 S","O=C(Nc6cccc(c1nc5sccn5c1c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)c6)Cc7ccccc7;O=C(Cc1ccccc1)Nc2cccc(c2)c3nc4sccn4c3c5ccnc(Nc6ccc(cc6)N7CCOCC7)n5;c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7","InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)","","2010-03-08","2011-06-04","N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-phenylacetamide",""],["ITJ","5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","C7 H8 Cl N5","CNc1nc(Cl)nc2c(C)n[nH]c12;Cc1c2c(c(nc(n2)Cl)NC)[nH]n1","InChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11)","","2023-08-03","2023-12-01","5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine","2023-12-06"],["ITK","[3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid","C16 H16 N3 O3 P","Cc1ccc(cc1)c2cn(nn2)c3cccc(C[P](O)(O)=O)c3;Cc1ccc(cc1)c2cn(nn2)c3cccc(c3)CP(=O)(O)O","InChI=1S/C16H16N3O3P/c1-12-5-7-14(8-6-12)16-10-19(18-17-16)15-4-2-3-13(9-15)11-23(20,21)22/h2-10H,11H2,1H3,(H2,20,21,22)","","2022-07-14","2023-06-02","[3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid","2023-06-07"],["ITL","(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid","C41 H66 N4 O13","O=C(O)CN(CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)C(C(=O)O)CCC(=O)NC4CCC3(C(CCC2C1CCC(C1(C)CCC23)C(C)CCC(=O)O)C4)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)NC(=O)CC[CH](N(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O)C(O)=O;CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)CCC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C","InChI=1S/C41H66N4O13/c1-25(4-11-34(47)48)29-7-8-30-28-6-5-26-20-27(12-14-40(26,2)31(28)13-15-41(29,30)3)42-33(46)10-9-32(39(57)58)45(18-16-43(21-35(49)50)22-36(51)52)19-17-44(23-37(53)54)24-38(55)56/h25-32H,4-24H2,1-3H3,(H,42,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t25-,26-,27+,28+,29-,30+,31+,32+,40+,41-/m1/s1","","2008-07-09","2011-06-04","(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid",""],["ITM","ISOCITRIC ACID-MAGNESIUM COMPLEX","C6 H7 Mg O7","OC(=O)C[CH]([CH](O[Mg])C(O)=O)C(O)=O;C(C(C(C(=O)O)O[Mg])C(=O)O)C(=O)O","InChI=1/C6H7O7.Mg.H/c7-3(8)1-2(5(10)11)4(9)6(12)13;;/h2,4H,1H2,(H,7,8)(H,10,11)(H,12,13);;/q-1;+1;/t2-,4+;;/m0../s1/f/h7,10,12H;;/rC6H8MgO7/c7-14-4(6(12)13)2(5(10)11)1-3(8)9/h2,4,7H,1H2,(H,8,9)(H,10,11)(H,12,13)/t2-,4+/m0/s1/f/h8,10,12H","","1999-07-08","2011-12-12","[(2R,3S)-3-carboxy-1,5-dihydroxy-1,5-dioxo-pentan-2-yl]oxymagnesium",""],["D78","(5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif\nluoromethyl)phenyl]-5-oxazolidinecarboxamide","C32 H36 F3 N3 O7 S","O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CN4c3cccc(c3)C(F)(F)F;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)O3)c4cccc(c4)C(F)(F)F;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C32H36F3N3O7S/c1-21(2)18-37(46(42,43)26-14-12-25(44-3)13-15-26)19-28(39)27(16-22-8-5-4-6-9-22)36-30(40)29-20-38(31(41)45-29)24-11-7-10-23(17-24)32(33,34)35/h4-15,17,21,27-29,39H,16,18-20H2,1-3H3,(H,36,40)/t27-,28+,29-/m0/s1","(5S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-3-[3-(trifluoromet\nhyl)phenyl]-1,3-oxazolidine-5-carboxamide","2009-03-06","2020-06-17","(5S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide",""],["ITN","2-methylidenebutanedioic acid","C5 H6 O4","OC(=O)CC(=C)C(O)=O;C=C(CC(=O)O)C(=O)O","InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)","","2016-07-12","2024-09-27","2-methylidenebutanedioic acid","2016-07-27"],["D79","4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol","C18 H16 N8 O","Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1;Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C","InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3","","2019-07-12","2019-08-09","4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol","2019-08-14"],["ITO","[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid","C8 H6 Cl2 N2 O6 P2","O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O;c1c2c(cc(c1Cl)Cl)nc(c(n2)P(=O)(O)O)P(=O)(O)O","InChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18)","","2022-04-12","2022-11-04","[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid","2022-11-09"],["D7A","N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide","C17 H20 N2 O5 S","O=S(=O)(N)c2ccc(C(=O)NCCc1ccc(OC)c(OC)c1)cc2;COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC;COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N","InChI=1S/C17H20N2O5S/c1-23-15-8-3-12(11-16(15)24-2)9-10-19-17(20)13-4-6-14(7-5-13)25(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)","","2012-01-05","2012-03-30","N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide",""],["D7B","(S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone","C26 H31 N3 O2","CC(=O)N1[CH](CN(Cc2ccccc2CO)c3cc(ccc13)C4=CCNCC4)C5CC5;CC(=O)N1c2ccc(cc2N(CC1C3CC3)Cc4ccccc4CO)C5=CCNCC5","InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1","","2018-01-08","2019-01-25","1-[(2~{S})-2-cyclopropyl-4-[[2-(hydroxymethyl)phenyl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone","2019-01-30"],["ITP","PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER","C6 H14 O12 P2","O=P(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)(O)O;O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O;C1(C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O","InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-","INOSITOL 1,3-BISPHOSPHATE","2001-01-24","2020-06-17","(1R,2s,3S,4R,5s,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]",""],["D7C","2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone","C19 H19 N7 O","C[CH]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4;Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4CC3C)C","InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1","","2019-07-12","2019-08-09","2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2~{S})-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone","2019-08-14"],["ITQ","1,2,3,4-Tetrahydrogen Staurosporine","C28 H28 N4 O3","O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8;CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6C=NC(=O)c6c7c8CCCCc8n2c7c35;CC12C(C(CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC","InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1","Staurosporine Analogue - AFN941","2013-03-14","2021-03-01","(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one","2013-03-27"],["D7D","N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide","C14 H21 N5 O2 S","c31nccc1c(N(C2CC(NS(CCC)(=O)=O)C2)C)ncn3;CCC[S](=O)(=O)N[CH]1C[CH](C1)N(C)c2ncnc3[nH]ccc23;CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2","InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+","","2017-10-20","2018-01-12","N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide","2018-01-17"],["ITR","IMINO-TRYPTOPHAN","C11 H10 N2 O2","O=C(O)C(=[N@H])Cc2c1ccccc1nc2;OC(=O)C(=N)Cc1c[nH]c2ccccc12;c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O","InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/b12-9-","","1999-07-08","2011-06-04","(2Z)-2-imino-3-(1H-indol-3-yl)propanoic acid",""],["ITS","INOSITOL 1,3,4,5-TETRAKISPHOSPHATE","C6 H16 O18 P4","O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O;O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O","InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1/f/h9-10,12-13,15-16,18-19H","","1999-07-08","2008-10-14","(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]",""],["D7E","4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide","C18 H17 Cl F3 N3 O2 S","CCn1c(nc2ccc(cc12)C(F)(F)F)[CH](C)N[S](=O)(=O)c3ccc(Cl)cc3;CCn1c2cc(ccc2nc1C(C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F","InChI=1S/C18H17ClF3N3O2S/c1-3-25-16-10-12(18(20,21)22)4-9-15(16)23-17(25)11(2)24-28(26,27)14-7-5-13(19)6-8-14/h4-11,24H,3H2,1-2H3/t11-/m1/s1","","2015-07-13","2015-10-16","4-chloranyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide","2015-10-21"],["D7F","6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one","C23 H26 N2 O4","CCN(CC)CCOc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34;CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C","InChI=1S/C23H26N2O4/c1-5-25(6-2)11-12-28-16-7-9-19-15(13-16)14-18-21-17(23(26)24(18)3)8-10-20(27-4)22(21)29-19/h7-10,13-14H,5-6,11-12H2,1-4H3","","2019-07-12","2020-07-03","","2020-07-08"],["ITT","INOSINE 5'-TRIPHOSPHATE","C10 H15 N4 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2ncnc1O)C(O)C3O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(O)ncnc23;c1nc2c(c(n1)O)ncn2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","INOSINE TRIPHOSPHATE","2004-09-01","2020-06-17","9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-ol",""],["ITU","ETHYLISOTHIOUREA","C3 H8 N2 S","[N@H]=C(SCC)N;CCSC(N)=N;CCSC(=N)N","InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)","","1999-07-08","2011-06-04","ethyl imidothiocarbamate",""],["D7G","((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER","C25 H37 N3 O7","O=C(C(=O)NC1CC1)C(NC(=O)C(NC(=O)OCCOCCOC)CC(C)C)Cc2ccccc2;COCCOCCOC(=O)N[CH](CC(C)C)C(=O)N[CH](Cc1ccccc1)C(=O)C(=O)NC2CC2;CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC","InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1","SNJ-1945","2006-03-08","2024-09-27","N-[(1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl]-N~2~-{[2-(2-methoxyethoxy)ethoxy]carbonyl}-L-leucinamide",""],["ITV","[2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid","C15 H14 N3 O3 P","O[P](O)(=O)Cc1ccccc1n2cc(nn2)c3ccccc3;c1ccc(cc1)c2cn(nn2)c3ccccc3CP(=O)(O)O","InChI=1S/C15H14N3O3P/c19-22(20,21)11-13-8-4-5-9-15(13)18-10-14(16-17-18)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,20,21)","","2022-07-14","2023-06-02","[2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid","2023-06-07"],["D7H","(S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide","C26 H27 N5 O3","CC(=O)N1[CH](CN(Cc2ccccc2CO)c3cc(ccc13)c4cnc(nc4)C(N)=O)C5CC5;CC(=O)N1c2ccc(cc2N(CC1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N","InChI=1S/C26H27N5O3/c1-16(33)31-22-9-8-18(21-11-28-26(25(27)34)29-12-21)10-23(22)30(14-24(31)17-6-7-17)13-19-4-2-3-5-20(19)15-32/h2-5,8-12,17,24,32H,6-7,13-15H2,1H3,(H2,27,34)/t24-/m1/s1","","2018-01-08","2019-01-25","5-[(2~{S})-2-cyclopropyl-1-ethanoyl-4-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydroquinoxalin-6-yl]pyrimidine-2-carboxamide","2019-01-30"],["ITW","2-[(1H-indol-3-yl)methyl]prop-2-enoic acid","C12 H11 N O2","OC(=O)C(=C)Cc1c2c(nc1)cccc2;OC(=O)C(=C)Cc1c[nH]c2ccccc12;C=C(Cc1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C12H11NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7,13H,1,6H2,(H,14,15)","","2016-05-04","2016-07-29","2-[(1H-indol-3-yl)methyl]prop-2-enoic acid","2016-08-03"],["D7I","5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate","C14 H20 O26 P6","O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1OCCOc2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc2O[P](O)(O)=O;c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C14H20O26P6/c15-41(16,17)35-9-5-13(39-45(27,28)29)11(37-43(21,22)23)3-7(9)33-1-2-34-8-4-12(38-44(24,25)26)14(40-46(30,31)32)6-10(8)36-42(18,19)20/h3-6H,1-2H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)","","2019-09-04","2021-01-08","[2,4-diphosphonooxy-5-[2-(2,4,5-triphosphonooxyphenoxy)ethoxy]phenyl] dihydrogen phosphate","2021-01-13"],["D7J","tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C26 H38 N4 O3 S","CC(C)NC(CSCC(Cc1ccccc1)NC(OC(C)(C)C)=O)C(=O)NCc2cccnc2;CC(C)N[CH](CSC[CH](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2;CC(C)NC(CSCC(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2","InChI=1S/C26H38N4O3S/c1-19(2)29-23(24(31)28-16-21-12-9-13-27-15-21)18-34-17-22(14-20-10-7-6-8-11-20)30-25(32)33-26(3,4)5/h6-13,15,19,22-23,29H,14,16-18H2,1-5H3,(H,28,31)(H,30,32)/t22-,23-/m0/s1","","2017-10-23","2017-12-08","tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2017-12-13"],["ITX","(1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C25 H37 N3 O9 S","COc1ccc(cc1)C1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;COc1ccc(cc1)[CH]2C[CH]2COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC2c3ccc(cc3)OC","InChI=1S/C25H37N3O9S/c1-14(2)10-20(23(30)27-21(24(31)38(33,34)35)12-16-8-9-26-22(16)29)28-25(32)37-13-17-11-19(17)15-4-6-18(36-3)7-5-15/h4-7,14,16-17,19-21,24,31H,8-13H2,1-3H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t16-,17-,19-,20-,21-,24+/m0/s1","","2022-01-27","2024-09-27","(1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-02-09"],["D7K","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","C20 H28 N4 O11 P3 S","O=P(O)(OP(=O)(O)O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(c3ccccc3)P(=O)(OC)O;CO[P](O)(=O)[C](O)(c1ccccc1)c2sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]2Cc3cnc(C)nc3N;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(c3ccccc3)(O)P(=O)(O)OC)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C20H27N4O11P3S/c1-13-17(9-10-34-38(31,32)35-37(28,29)30)39-19(24(13)12-15-11-22-14(2)23-18(15)21)20(25,36(26,27)33-3)16-7-5-4-6-8-16/h4-8,11,25H,9-10,12H2,1-3H3,(H5-,21,22,23,26,27,28,29,30,31,32)/p+1/t20-/m0/s1","","2008-05-22","2011-06-04","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["ITY","icosa-5,8,11,14-tetraynoic acid","C20 H24 O2","CCCCCC#CCC#CCC#CCC#CCCCC(O)=O;CCCCCC#CCC#CCC#CCC#CCCCC(=O)O","InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)","5,8,11,14-eicosatetraynoic acid","2018-07-10","2021-03-13","icosa-5,8,11,14-tetraynoic acid","2020-11-11"],["D7L","6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one","C17 H13 N O4","COc1ccc2C(=O)N(C)C3=Cc4cc(O)ccc4Oc1c23;CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O","InChI=1S/C17H13NO4/c1-18-12-8-9-7-10(19)3-5-13(9)22-16-14(21-2)6-4-11(15(12)16)17(18)20/h3-8,19H,1-2H3","","2019-07-12","2020-07-03","","2020-07-08"],["ITZ","2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid","C9 H14 N2 O2 S","NC(c1nc(C(=O)O)cs1)C(CC)C;CC[CH](C)[CH](N)c1scc(n1)C(O)=O;CCC(C)C(c1nc(cs1)C(=O)O)N","InChI=1S/C9H14N2O2S/c1-3-5(2)7(10)8-11-6(4-14-8)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)/t5-,7-/m0/s1","","2019-12-04","2024-09-27","2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid","2020-12-02"],["IU","5-IODOURIDINE-5'-MONOPHOSPHATE","C9 H12 I N2 O9 P","IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(I)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)I","InChI=1S/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1","","2005-05-31","2024-09-27","5-iodouridine 5'-(dihydrogen phosphate)",""],["D7M","tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate","C21 H34 N4 O3 S","C(NCc1cccnc1)(C(CSCCNC(OC(C)(C)C)=O)NC2CCCC2)=O;CC(C)(C)OC(=O)NCCSC[CH](NC1CCCC1)C(=O)NCc2cccnc2;CC(C)(C)OC(=O)NCCSCC(C(=O)NCc1cccnc1)NC2CCCC2","InChI=1S/C21H34N4O3S/c1-21(2,3)28-20(27)23-11-12-29-15-18(25-17-8-4-5-9-17)19(26)24-14-16-7-6-10-22-13-16/h6-7,10,13,17-18,25H,4-5,8-9,11-12,14-15H2,1-3H3,(H,23,27)(H,24,26)/t18-/m0/s1","","2017-10-23","2017-12-08","tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate","2017-12-13"],["D7N","2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide","C20 H24 F3 N3 O2","NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C4CCC(F)(F)CC4)C(=O)c12;c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F","InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)","","2015-04-15","2015-08-07","2-[1-[4,4-bis(fluoranyl)cyclohexyl]piperidin-4-yl]-6-fluoranyl-3-oxidanylidene-1H-isoindole-4-carboxamide","2015-08-12"],["IU0","(1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol","C11 H13 N O2","O[CH]1CO[CH]2C[CH]1Nc3ccccc23;c1ccc2c(c1)C3CC(N2)C(CO3)O","InChI=1S/C11H13NO2/c13-10-6-14-11-5-9(10)12-8-4-2-1-3-7(8)11/h1-4,9-13H,5-6H2/t9-,10-,11-/m1/s1","","2022-04-12","2023-04-14","(1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol","2023-04-19"],["IU1","1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one","C18 H21 F N2 O","O=C(c1c(n(c(c1)C)c2ccc(cc2)F)C)CN3CCCC3;Cc1cc(c(C)n1c2ccc(F)cc2)C(=O)CN3CCCC3;Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3","InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3","","2018-10-19","2018-12-07","1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one","2018-12-12"],["D7O","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{S},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate","C16 H22 O5","COC(=O)[C]12C[CH](C(=C)C1)C(=O)[CH](C2)C(=O)OC(C)(C)C;CC(C)(C)OC(=O)C1CC2(CC(C1=O)C(=C)C2)C(=O)OC","InChI=1S/C16H22O5/c1-9-6-16(14(19)20-5)7-10(9)12(17)11(8-16)13(18)21-15(2,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11+,16+/m1/s1","","2023-07-17","2024-09-27","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{S},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate","2024-07-24"],["IU2","2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine","C12 H10 Cl N5","CNc1nc(Cl)nc2n(cnc12)c3ccccc3;CNc1c2c(nc(n1)Cl)n(cn2)c3ccccc3","InChI=1S/C12H10ClN5/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16,17)","","2023-08-03","2023-12-01","2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine","2023-12-06"],["D7P","D-phenylalanyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide","C15 H23 N7 O4","NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N[N+]([O-])=O)C(N)=O;N[CH](Cc1ccccc1)C(=O)N[CH](CCCNC(=N)N[N+]([O-])=O)C(N)=O;c1ccc(cc1)CC(C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)N)N","InChI=1S/C15H23N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1","D-PHENYLALANINE-D-NITROARGININE AMIDE","2003-12-18","2026-04-05","D-phenylalanyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide",""],["IU3","3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid","C16 H12 N4 O4","Nc1cccc(c1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O;c1cc(cc(c1)N)c2cn(nn2)c3cccc(c3C(=O)O)C(=O)O","InChI=1S/C16H12N4O4/c17-10-4-1-3-9(7-10)12-8-20(19-18-12)13-6-2-5-11(15(21)22)14(13)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24)","","2022-07-14","2023-06-02","3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid","2023-06-07"],["D7Q","2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid","C21 H22 N2 O3","CC(=O)N1[CH](CN(Cc2ccccc2C(O)=O)c3ccccc13)C4CC4;CC(=O)N1c2ccccc2N(CC1C3CC3)Cc4ccccc4C(=O)O","InChI=1S/C21H22N2O3/c1-14(24)23-19-9-5-4-8-18(19)22(13-20(23)15-10-11-15)12-16-6-2-3-7-17(16)21(25)26/h2-9,15,20H,10-13H2,1H3,(H,25,26)/t20-/m1/s1","","2018-01-08","2019-01-25","2-[[(3~{S})-3-cyclopropyl-4-ethanoyl-2,3-dihydroquinoxalin-1-yl]methyl]benzoic acid","2019-01-30"],["D7R","6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one","C20 H16 F2 N4 O4 S","Cc1cc(n2C=NNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F;Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C","InChI=1S/C20H16F2N4O4S/c1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22/h3-8,10H,9H2,1-2H3,(H,25,27)","","2019-07-12","2020-07-03","6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-d][1,2,4]triazin-1-one","2020-07-08"],["IU4","N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide","C15 H17 N3 O2 S","CC(=O)Nc1ccc(cc1)c2csc(n2)N3CCOCC3;CC(=O)Nc1ccc(cc1)c2csc(n2)N3CCOCC3","InChI=1S/C15H17N3O2S/c1-11(19)16-13-4-2-12(3-5-13)14-10-21-15(17-14)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,19)","","2022-04-13","2022-08-22","~{N}-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide","2022-06-22"],["D7S","(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid","C27 H42 O3","O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C;C[CH](CCC[CH](C)C(O)=O)[CH]1CC[CH]2C3=CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C","InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1","(25S)-delta7-dafachronic acid","2011-11-18","2021-03-01","(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid",""],["IU5","ISO-URSODEOXYCHOLIC ACID","C24 H40 O4","O=C(O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1","","1999-11-10","2011-06-04","(3beta,5beta,7alpha,14beta,17alpha)-3,7-dihydroxycholan-24-oic acid",""],["D7T","1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone","C18 H20 N2 O","CC(=O)N1CCN(Cc2cccc(C)c2)c3ccccc13;Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C","InChI=1S/C18H20N2O/c1-14-6-5-7-16(12-14)13-19-10-11-20(15(2)21)18-9-4-3-8-17(18)19/h3-9,12H,10-11,13H2,1-2H3","","2018-01-08","2019-01-25","1-[4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone","2019-01-30"],["IU6","6-ETHYL-ISO-URSODEOXYCHOLIC ACID","C26 H44 O4","O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C;CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCC(O)=O)[C]3(C)CC[CH]2[C]4(C)CC[CH](O)C[CH]14;CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O","InChI=1/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/f/h28H","","2003-03-25","2008-10-14","(3beta,5beta,6beta,7beta,9beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid",""],["IU7","3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid","C18 H16 N4 O5","NCCOc1ccc(cc1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O;c1cc(c(c(c1)n2cc(nn2)c3ccc(cc3)OCCN)C(=O)O)C(=O)O","InChI=1S/C18H16N4O5/c19-8-9-27-12-6-4-11(5-7-12)14-10-22(21-20-14)15-3-1-2-13(17(23)24)16(15)18(25)26/h1-7,10H,8-9,19H2,(H,23,24)(H,25,26)","","2022-07-14","2023-06-02","3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid","2023-06-07"],["D7U","6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one","C21 H17 F2 N3 O4 S","Cc1cc(n2C=CNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F;Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C","InChI=1S/C21H17F2N3O4S/c1-12-7-17(26-6-5-24-20(27)19(12)26)15-8-13(11-31(2,28)29)10-25-21(15)30-18-4-3-14(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,27)","","2019-07-12","2020-07-03","6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-a]pyrazin-1-one","2020-07-08"],["D7V","(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine","C19 H21 N O","O3c1ccccc1/C(c2c(cccc2)C3)=CCCN(C)C;CN(C)CCC=C1c2ccccc2COc3ccccc13;CN(C)CCC=C1c2ccccc2COc3c1cccc3","InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-","","2011-05-25","2011-06-10","(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine",""],["IU8","1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one","C18 H15 F3 N2 O","FC(F)(F)c1cc(ccc1)Nc1cccc2cn(cc21)C(=O)CC;CCC(=O)n1cc2cccc(Nc3cccc(c3)C(F)(F)F)c2c1;CCC(=O)n1cc2cccc(c2c1)Nc3cccc(c3)C(F)(F)F","InChI=1S/C18H15F3N2O/c1-2-17(24)23-10-12-5-3-8-16(15(12)11-23)22-14-7-4-6-13(9-14)18(19,20)21/h3-11,22H,2H2,1H3","1-{4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form","2022-01-28","2025-08-29","1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one","2025-09-03"],["IU9","N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide","C13 H9 Cl F N O Se","Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1;c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH]","InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17)","","2022-04-13","2023-04-14","~{N}-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide","2023-04-19"],["D7W","1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea","C11 H11 Cl N4 O2","CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2;CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl","InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)","","2018-01-08","2018-03-02","1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea","2018-03-07"],["IUA","2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine","C13 H12 Cl N5","CNc1nc(Cl)nc2n(Cc3ccccc3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3","InChI=1S/C13H12ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)","","2023-08-03","2023-12-01","2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine","2023-12-06"],["D7X","N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide","C21 H19 N3 O4 S","Cc1cc(n2C=CNC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4;Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C","InChI=1S/C21H19N3O4S/c1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,22,25)","","2019-07-16","2020-07-03","~{N}-[3-(8-methyl-1-oxidanylidene-2~{H}-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide","2020-07-08"],["IUB","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","C21 H37 N3 O8 S","CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CCC[CH]1C[CH]1COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CCCC1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O","InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20-/m0/s1","","2022-01-28","2024-09-27","(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid","2022-03-02"],["D7Y","tert-butyl (2-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate","C19 H32 N4 O3 S","CC(C)(OC(=O)NCCSCC(C(=O)NCc1cccnc1)NC(C)C)C;CC(C)N[CH](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1;CC(C)NC(CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1","InChI=1S/C19H32N4O3S/c1-14(2)23-16(17(24)22-12-15-7-6-8-20-11-15)13-27-10-9-21-18(25)26-19(3,4)5/h6-8,11,14,16,23H,9-10,12-13H2,1-5H3,(H,21,25)(H,22,24)/t16-/m0/s1","","2017-10-23","2017-12-08","tert-butyl (2-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate","2017-12-13"],["D7Z","PtCl2(1(R),2(R)-DACH)","C6 H12 Cl2 N2 Pt","Cl[Pt]1(Cl)N[CH]2CCCC[CH]2N1;C1CCC2C(C1)N[Pt](N2)(Cl)Cl","InChI=1S/C6H12N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-8H,1-4H2;2*1H;/q-2;;;+4/p-2/t5-,6-;;;/m1.../s1","","2018-01-08","2018-11-23","(1~{R},6~{R})-8,8-bis(chloranyl)-7,9-diaza-8$l^{4}-platinabicyclo[4.3.0]nonane","2018-11-28"],["IUC","(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone","C17 H15 Br F N3 O3","[O-][N+](=O)c1cc(ccc1Br)C(=O)N2CCN(CC2)c3ccccc3F;c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Br)F","InChI=1S/C17H15BrFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2","","2022-04-13","2023-01-20","(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone","2023-01-25"],["D80","2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine","C14 H15 N3 O","n2c1ccccc1c3oc(nc3c2N)CCCC;CCCCc1oc2c3ccccc3nc(N)c2n1;CCCCc1nc2c(o1)c3ccccc3nc2N","InChI=1S/C14H15N3O/c1-2-3-8-11-17-12-13(18-11)9-6-4-5-7-10(9)16-14(12)15/h4-7H,2-3,8H2,1H3,(H2,15,16)","","2014-05-15","2014-10-17","2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine","2014-10-22"],["IUD","Paltusotine","C27 H22 F2 N4 O","NC1CCN(CC1)c2c(cnc3ccc(cc23)c4cccc(C#N)c4O)c5cc(F)cc(F)c5;c1cc(c(c(c1)c2ccc3c(c2)c(c(cn3)c4cc(cc(c4)F)F)N5CCC(CC5)N)O)C#N","InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2","3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile","2022-07-14","2023-09-15","3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile","2023-04-19"],["D81","S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide","C29 H42 N4 O2 S","C(C(=O)NCc1cccnc1)(CSCC(Cc2ccccc2)NC(=C)OC(C)(C)C)NC3CCCC3;CC(C)(C)OC(=C)N[CH](CSC[CH](NC1CCCC1)C(=O)NCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=C)NC(Cc1ccccc1)CSCC(C(=O)NCc2cccnc2)NC3CCCC3","InChI=1S/C29H42N4O2S/c1-22(35-29(2,3)4)32-26(17-23-11-6-5-7-12-23)20-36-21-27(33-25-14-8-9-15-25)28(34)31-19-24-13-10-16-30-18-24/h5-7,10-13,16,18,25-27,32-33H,1,8-9,14-15,17,19-21H2,2-4H3,(H,31,34)/t26-,27-/m0/s1","","2017-10-23","2017-12-08","S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide","2017-12-13"],["IUE","3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide","C13 H14 Cl N3 O2 S","Cc1c(Cl)c(nc2sc(c(N)c12)C(=O)NC1CC1)OC;COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl;Cc1c2c(c(sc2nc(c1Cl)OC)C(=O)NC3CC3)N","InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)","","2022-01-31","2023-05-12","3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide","2023-05-17"],["IUF","~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate","C20 H22 Cl3 N3 O6","COC(=O)[CH]1C[CH]2[CH](C[CH]3CN(C(=O)OCC(Cl)(Cl)Cl)c4c(ccc2c34)[N+]([O-])=O)N(C)C1;CN1CC(CC2C1CC3CN(c4c3c2ccc4[N+](=O)[O-])C(=O)OCC(Cl)(Cl)Cl)C(=O)OC","InChI=1S/C20H22Cl3N3O6/c1-24-7-11(18(27)31-2)5-13-12-3-4-14(26(29)30)17-16(12)10(6-15(13)24)8-25(17)19(28)32-9-20(21,22)23/h3-4,10-11,13,15H,5-9H2,1-2H3/t10-,11-,13+,15+/m1/s1","","2022-04-13","2023-01-20","~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate","2023-01-25"],["D82","beta-Saxitoxinol","C10 H17 N7 O3","NC(=O)OCC1NC(=N)N2CCC(O)C32NC(=N)NC13;NC(=O)OC[CH]1NC(=N)N2CC[CH](O)[C]23NC(=N)N[CH]13;C1CN2C(=N)NC(C3C2(C1O)NC(=N)N3)COC(=O)N","InChI=1S/C10H17N7O3/c11-7-15-6-4(3-20-9(13)19)14-8(12)17-2-1-5(18)10(6,17)16-7/h4-6,18H,1-3H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/t4-,5-,6-,10+/m0/s1","[(2Z,3aS,4R,6Z,7S,10S,10aS)-10-hydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","2021-11-29","2022-01-14","[(2Z,3aS,4R,6Z,7S,10S,10aS)-10-hydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","2022-01-19"],["D83","2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide","C22 H19 N5","[N@H]=C(N)c1ccc(cc1)c4ccc(c3cc2ccc(cc2n3)C(=[N@H])N)cc4;NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N;c1cc(ccc1c2ccc(cc2)C(=N)N)c3cc4ccc(cc4[nH]3)C(=N)N","InChI=1S/C22H19N5/c23-21(24)16-7-3-14(4-8-16)13-1-5-15(6-2-13)19-11-17-9-10-18(22(25)26)12-20(17)27-19/h1-12,27H,(H3,23,24)(H3,25,26)","","2011-05-11","2012-09-07","2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide","2012-09-07"],["IUG","1-(2-NITROPHENYL)ETHYL UDP-GALACTOSE","C22 H29 N3 O19 P2","O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(COCc3ccccc3[N+]([O-])=O)C(O)C(O)C2O)C(O)C1O;O[CH]1[CH](O)[CH](COCc2ccccc2[N+]([O-])=O)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH]1O;c1ccc(c(c1)COCC2C(C(C(C(O2)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)[O-]","InChI=1S/C22H29N3O19P2/c26-14-5-6-24(22(32)23-14)20-18(30)16(28)13(41-20)9-40-45(35,36)44-46(37,38)43-21-19(31)17(29)15(27)12(42-21)8-39-7-10-3-1-2-4-11(10)25(33)34/h1-6,12-13,15-21,27-31H,7-9H2,(H,35,36)(H,37,38)(H,23,26,32)/t12-,13-,15+,16-,17+,18-,19-,20-,21-/m1/s1","","2012-12-17","2026-04-05","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2-nitrophenyl)methoxy]methyl}oxan-2-yl dihydrogen diphosphate (non-preferred name)","2013-01-18"],["IUH","2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine","C12 H11 Cl N6","CNc1nc(Cl)nc2n(Cc3ccncc3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccncc3","InChI=1S/C12H11ClN6/c1-14-10-9-11(18-12(13)17-10)19(7-16-9)6-8-2-4-15-5-3-8/h2-5,7H,6H2,1H3,(H,14,17,18)","","2023-08-03","2023-12-01","2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine","2023-12-06"],["D84","5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one","C31 H26 F2 N4 O4","c1(cc(ccc1)N2CCCC2=O)OCc5n(c4cc(C3=CNC(=O)C=C3)ccc4n5)Cc6c(cccc6)OC(F)F;FC(F)Oc1ccccc1Cn2c(COc3cccc(c3)N4CCCC4=O)nc5ccc(cc25)C6=CNC(=O)C=C6;c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F","InChI=1S/C31H26F2N4O4/c32-31(33)41-27-8-2-1-5-22(27)18-37-26-15-20(21-11-13-29(38)34-17-21)10-12-25(26)35-28(37)19-40-24-7-3-6-23(16-24)36-14-4-9-30(36)39/h1-3,5-8,10-13,15-17,31H,4,9,14,18-19H2,(H,34,38)","","2017-10-23","2021-01-08","5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one","2021-01-13"],["IUI","5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide","C17 H15 F3 N4 O3 S2","FC(F)(F)S(=O)(=O)c1ccc(cc1)CNC(=O)c1sc2nnc(C)c(C)c2c1N;Cc1nnc2sc(c(N)c2c1C)C(=O)NCc3ccc(cc3)[S](=O)(=O)C(F)(F)F;Cc1c(nnc2c1c(c(s2)C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)N)C","InChI=1S/C17H15F3N4O3S2/c1-8-9(2)23-24-16-12(8)13(21)14(28-16)15(25)22-7-10-3-5-11(6-4-10)29(26,27)17(18,19)20/h3-6H,7,21H2,1-2H3,(H,22,25)","","2022-01-31","2023-05-12","5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide","2023-05-17"],["D85","3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid","C18 H15 Cl2 N3 O4 S2","N[S](=O)(=O)c1ccc(cc1)N(CCC(O)=O)c2sc(Cl)c(n2)c3ccc(Cl)cc3;c1cc(ccc1c2c(sc(n2)N(CCC(=O)O)c3ccc(cc3)S(=O)(=O)N)Cl)Cl","InChI=1S/C18H15Cl2N3O4S2/c19-12-3-1-11(2-4-12)16-17(20)28-18(22-16)23(10-9-15(24)25)13-5-7-14(8-6-13)29(21,26)27/h1-8H,9-10H2,(H,24,25)(H2,21,26,27)","","2021-12-14","2022-08-22","3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid","2022-05-04"],["IUJ","4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide","C18 H19 F N2 O","Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3;c1cc(ccc1CNC(=O)c2ccc(cc2)F)N3CCCC3","InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(22)20-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)","","2022-04-13","2023-01-20","4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide","2023-01-25"],["D86","[azanyl(piperidin-1-yl)methylidene]azanium","C6 H14 N3","NC(=[NH2+])N1CCCCC1;C1CCN(CC1)C(=[NH2+])N","InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)/p+1","","2016-12-22","2018-02-23","[azanyl(piperidin-1-yl)methylidene]azanium","2018-02-28"],["D87","2-butylfuro[2,3-c]quinolin-4-amine","C15 H16 N2 O","n3c1ccccc1c2c(oc(c2)CCCC)c3N;CCCCc1oc2c(N)nc3ccccc3c2c1;CCCCc1cc2c3ccccc3nc(c2o1)N","InChI=1S/C15H16N2O/c1-2-3-6-10-9-12-11-7-4-5-8-13(11)17-15(16)14(12)18-10/h4-5,7-9H,2-3,6H2,1H3,(H2,16,17)","","2013-12-12","2014-02-14","2-butylfuro[2,3-c]quinolin-4-amine","2014-02-19"],["IUK","4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide","C22 H23 N3 O3 S","Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(C)nc3;Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(nc3)C","InChI=1S/C22H23N3O3S/c1-15-4-10-20(11-5-15)29(27,28)25-21-12-19(9-6-16(21)2)22(26)24-14-18-8-7-17(3)23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)","Y48","2022-07-15","2023-07-21","4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide","2023-07-26"],["D88","4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile","C26 H29 Cl2 N5 O3","Clc1cc(cc(OC)c1Cl)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34;COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)cc(Cl)c1Cl;CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC","InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-23-14-21-19(13-22(23)34-2)26(17(15-29)16-30-21)31-18-11-20(27)25(28)24(12-18)35-3/h11-14,16H,4-10H2,1-3H3,(H,30,31)","","2011-12-13","2014-09-05","4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile",""],["IUL","4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile","C21 H16 F3 N5 O2","CN1CC2=C([CH](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1;CN1CC2=C(C(NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1","InChI=1S/C21H16F3N5O2/c1-28-11-16-17(19(30)27-28)18(13-7-5-12(10-25)6-8-13)26-20(31)29(16)15-4-2-3-14(9-15)21(22,23)24/h2-9,18H,11H2,1H3,(H,26,31)(H,27,30)/t18-/m1/s1","","2015-09-24","2016-07-29","4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile","2016-08-03"],["D89","6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one","C22 H19 F2 N3 O4 S","CC[S](=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)c3cc(C)c4n3CC=NC4=O;CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C","InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)12-14-9-16(18-8-13(2)20-21(28)25-6-7-27(18)20)22(26-11-14)31-19-5-4-15(23)10-17(19)24/h4-6,8-11H,3,7,12H2,1-2H3","","2019-07-16","2020-07-03","6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4~{H}-pyrrolo[1,2-a]pyrazin-1-one","2020-07-08"],["IUM","URANYL (VI) ION","O2 U","[O-][U][O-];[O-][U][O-];[O-][U+4][O-]","InChI=1S/2O.U/q2*-1;","","1999-07-08","2011-06-04","For multi-component charged structures, a total zero charge is required!",""],["IUN","LCL-161","C26 H33 F N4 O3 S","CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CCCC1c1nc(cs1)C(=O)c1ccc(F)cc1;CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2CCC[CH]2c3scc(n3)C(=O)c4ccc(F)cc4;CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2c3nc(cs3)C(=O)c4ccc(cc4)F)NC","InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1","N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N~2~-methyl-L-alaninamide","2022-01-31","2023-09-13","N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N~2~-methyl-L-alaninamide","2023-08-02"],["D8A","(1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol","C11 H21 N O2","C2C(C1C(C(C(C1)O)O)N)CCCC2;N[CH]1[CH](O)[CH](O)C[CH]1C2CCCCC2;C1CCC(CC1)C2CC(C(C2N)O)O","InChI=1S/C11H21NO2/c12-10-8(6-9(13)11(10)14)7-4-2-1-3-5-7/h7-11,13-14H,1-6,12H2/t8-,9-,10-,11-/m1/s1","","2017-10-23","2020-04-17","(1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol","2020-04-22"],["D8B","2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine","C15 H13 N O","COc1cccc(c1)C#Cc2cccc(C)n2;Cc1cccc(n1)C#Cc2cccc(c2)OC","InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3","","2018-01-08","2018-03-02","2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine","2018-03-07"],["IUO","(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone","C17 H15 Cl F N3 O3","[O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F;c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Cl)F","InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2","","2022-04-13","2023-01-20","(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone","2023-01-25"],["IUP","5-(HYDRO)PEROXOISOURATE","C5 H4 N4 O5","O=C2N=C1NC(=O)NC(=O)C1(OO)N2;OO[C]12NC(=O)N=C1NC(=O)NC2=O;C12=NC(=O)NC1(C(=O)NC(=O)N2)OO","InChI=1S/C5H4N4O5/c10-2-5(14-13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1","","2014-05-01","2014-10-24","(5S)-5-hydroperoxy-5,7-dihydro-1H-purine-2,6,8(3H)-trione","2014-10-29"],["D8C","N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide","C26 H29 Cl N4 O5 S","CN1CCN(CC1)c2ccc3C4=C(CN(CC4)C(=O)c5ccc(N[S](C)(=O)=O)c(Cl)c5)C(=O)Oc3c2C;Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C","InChI=1S/C26H29ClN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3","","2019-07-17","2019-11-08","~{N}-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1~{H}-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide","2019-11-13"],["IUQ","2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine","C11 H14 Cl N5 O","CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3;CNc1c2c(nc(n1)Cl)n(cn2)C3CCCCO3","InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16)","","2023-08-03","2023-12-01","2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine","2023-12-06"],["D8D","1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline","C14 H24 N2 O3","C1C(CCCC1)C(N2C(CCC2)C(O)=O)C(=O)NC;CNC(=O)[CH](C1CCCCC1)N2CCC[CH]2C(O)=O;CNC(=O)C(C1CCCCC1)N2CCCC2C(=O)O","InChI=1S/C14H24N2O3/c1-15-13(17)12(10-6-3-2-4-7-10)16-9-5-8-11(16)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1","","2017-10-23","2020-04-17","1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline","2020-04-22"],["IUR","5-IODOURACIL","C4 H3 I N2 O2","IC1=CNC(=O)NC1=O;IC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)I","InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)","","2002-01-15","2011-06-04","5-iodopyrimidine-2,4(1H,3H)-dione",""],["D8E","~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide","C26 H34 F N5 O6","CN1CCCC[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](Cc3ccc(F)cc3)C(=O)N[CH](CO)CCC1=O;Cc1cc(no1)C(=O)NC2CCCCN(C(=O)CCC(NC(=O)C(NC2=O)Cc3ccc(cc3)F)CO)C","InChI=1S/C26H34FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,19-21,33H,3-5,10-12,14-15H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1","LIPID FRAGMENT","2018-01-09","2024-09-27","~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide","2018-02-21"],["D8F","(4-nitrophenyl) hexanoate","C12 H15 N O4","CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O;CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3","","2019-07-17","2020-07-03","(4-nitrophenyl) hexanoate","2020-07-08"],["IUS","(1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide","C35 H41 F4 N3 O4","CC(C)(O)c1ccc(cc1)c1cc(ccc1)N(CC12CCC(CC1)(CC2)c1nc(on1)C(C)(C)F)C(=O)C1CC(O)(C1)C(F)(F)F;CC(C)(O)c1ccc(cc1)c2cccc(c2)N(CC34CCC(CC3)(CC4)c5noc(n5)C(C)(C)F)C(=O)[CH]6C[C](O)(C6)C(F)(F)F;CC(C)(c1ccc(cc1)c2cccc(c2)N(CC34CCC(CC3)(CC4)c5nc(on5)C(C)(C)F)C(=O)C6CC(C6)(C(F)(F)F)O)O","InChI=1S/C35H41F4N3O4/c1-30(2,36)29-40-28(41-46-29)33-15-12-32(13-16-33,14-17-33)21-42(27(43)24-19-34(45,20-24)35(37,38)39)26-7-5-6-23(18-26)22-8-10-25(11-9-22)31(3,4)44/h5-11,18,24,44-45H,12-17,19-21H2,1-4H3/t24-,32-,33+,34+","","2022-01-31","2022-06-24","(1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide","2022-06-29"],["D8G","6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one","C17 H14 F N3 O S","Fc1ccccc1CN2N=Cc4c(C2=O)n(c3c4sc(c3)C)C;Cn1c2cc(C)sc2c3C=NN(Cc4ccccc4F)C(=O)c13;Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F","InChI=1S/C17H14FN3OS/c1-10-7-14-16(23-10)12-8-19-21(17(22)15(12)20(14)2)9-11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3","","2009-04-24","2011-06-04","6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one",""],["IUT","(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid","C22 H23 N O2","O=C(O)C1CCC(CC1)c1c2ccccc2n(C)c1c1ccccc1;Cn1c2ccccc2c([CH]3CC[CH](CC3)C(O)=O)c1c4ccccc4;Cn1c2ccccc2c(c1c3ccccc3)C4CCC(CC4)C(=O)O","InChI=1S/C22H23NO2/c1-23-19-10-6-5-9-18(19)20(21(23)16-7-3-2-4-8-16)15-11-13-17(14-12-15)22(24)25/h2-10,15,17H,11-14H2,1H3,(H,24,25)/t15-,17+","","2023-05-05","2023-06-09","(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid","2023-06-14"],["D8H","6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine","C17 H24 N4 O","COCCCNc1cncc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC","InChI=1S/C17H24N4O/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-19-11-14)20-6-3-7-22-2/h8-12,20H,3-7H2,1-2H3,(H2,18,21)","","2016-02-10","2016-04-15","6-[2-[5-(3-methoxypropylamino)pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine","2016-04-20"],["IUU","4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine","C9 H7 Cl F N5 O2","Nc1nonc1C(Nc2ccc(F)c(Cl)c2)=NO;c1cc(c(cc1NC(=NO)c2c(non2)N)Cl)F","InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)","","2017-04-13","2017-04-28","4-azanyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-~{N}'-oxidanyl-1,2,5-oxadiazole-3-carboximidamide","2017-05-03"],["IUV","(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid","C17 H17 F3 N2 O5","O[CH]1[CH](O)[CH](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[CH]1O)C(O)=O;c1cc(ccc1CCc2cn3c(n2)C(C(C(C3C(=O)O)O)O)O)C(F)(F)F","InChI=1S/C17H17F3N2O5/c18-17(19,20)9-4-1-8(2-5-9)3-6-10-7-22-11(16(26)27)12(23)13(24)14(25)15(22)21-10/h1-2,4-5,7,11-14,23-25H,3,6H2,(H,26,27)/t11-,12+,13-,14+/m0/s1","","2022-07-19","2022-12-02","(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid","2022-12-07"],["D8I","2-[(3-methoxybenzyl)amino]ethanesulfonic acid","C10 H15 N O4 S","O=S(=O)(O)CCNCc1cc(OC)ccc1;COc1cccc(CNCC[S](O)(=O)=O)c1;COc1cccc(c1)CNCCS(=O)(=O)O","InChI=1S/C10H15NO4S/c1-15-10-4-2-3-9(7-10)8-11-5-6-16(12,13)14/h2-4,7,11H,5-6,8H2,1H3,(H,12,13,14)","","2012-07-02","2012-10-26","2-[(3-methoxybenzyl)amino]ethanesulfonic acid","2012-10-26"],["D8J","2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol","C12 H15 F N2 O3","c1cc(F)ccc1C(=O)NCC2C(O)C(N)CO2;N[CH]1CO[CH](CNC(=O)c2ccc(F)cc2)[CH]1O;c1cc(ccc1C(=O)NCC2C(C(CO2)N)O)F","InChI=1S/C12H15FN2O3/c13-8-3-1-7(2-4-8)12(17)15-5-10-11(16)9(14)6-18-10/h1-4,9-11,16H,5-6,14H2,(H,15,17)/t9-,10-,11+/m1/s1","","2017-10-23","2020-04-17","2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol","2020-04-22"],["IUW","10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name)","C32 H42 N2 O4 S","O=C(O)CCCCCCCCCC=1CC2C(NS(N)(=O)=O)CCC2(C=1c1ccccc1)C(=C)c1ccccc1;N[S](=O)(=O)N[CH]1CC[C]2([CH]1CC(=C2c3ccccc3)CCCCCCCCCC(O)=O)C(=C)c4ccccc4;C=C(c1ccccc1)C23CCC(C2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)NS(=O)(=O)N","InChI=1S/C32H42N2O4S/c1-24(25-15-10-7-11-16-25)32-22-21-29(34-39(33,37)38)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30(35)36/h7-8,10-13,15-18,28-29,34H,1-6,9,14,19-23H2,(H,35,36)(H2,33,37,38)/t28-,29-,32-/m0/s1","","2022-01-31","2022-05-06","10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name)","2022-05-11"],["IUX","~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide","C14 H17 N3 O","CC1(C)C[C]1(C)NC(=O)c2cc3cccn3cn2;CC1(CC1(C)NC(=O)c2cc3cccn3cn2)C","InChI=1S/C14H17N3O/c1-13(2)8-14(13,3)16-12(18)11-7-10-5-4-6-17(10)9-15-11/h4-7,9H,8H2,1-3H3,(H,16,18)/t14-/m0/s1","","2022-04-13","2023-08-11","~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide","2023-08-16"],["D8K","~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide","C27 H33 F N6 O7","Cc1onc(c1)C(=O)N[CH]2CNC(=O)[CH]3CCCN3C(=O)CC[CH](CO)NC(=O)[CH](Cc4ccc(F)cc4)NC2=O;Cc1cc(no1)C(=O)NC2CNC(=O)C3CCCN3C(=O)CCC(NC(=O)C(NC2=O)Cc4ccc(cc4)F)CO","InChI=1S/C27H33FN6O7/c1-15-11-20(33-41-15)25(38)32-21-13-29-27(40)22-3-2-10-34(22)23(36)9-8-18(14-35)30-24(37)19(31-26(21)39)12-16-4-6-17(28)7-5-16/h4-7,11,18-19,21-22,35H,2-3,8-10,12-14H2,1H3,(H,29,40)(H,30,37)(H,31,39)(H,32,38)/t18-,19-,21-,22+/m0/s1","","2018-01-09","2024-09-27","~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide","2018-02-21"],["IUY","ethyl (5R)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate","C24 H20 F3 N4 O2","CCOC(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)c3[nH]cc[n+]3[CH]1c4ccc(cc4)C#N;CCOC(=O)C1=C(N(c2[nH]cc[n+]2C1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C","InChI=1S/C24H19F3N4O2/c1-3-33-22(32)20-15(2)31(19-6-4-5-18(13-19)24(25,26)27)23-29-11-12-30(23)21(20)17-9-7-16(14-28)8-10-17/h4-13,21H,3H2,1-2H3/p+1/t21-/m1/s1","","2015-09-24","2016-07-29","ethyl (5R)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate","2016-08-03"],["D8L","(2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid","C12 H13 N O2 S","CS[CH](Cc1c[nH]c2ccccc12)C(O)=O;CSC(Cc1c[nH]c2c1cccc2)C(=O)O","InChI=1S/C12H13NO2S/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)/t11-/m1/s1","","2019-07-19","2020-07-10","(2~{R})-3-(1~{H}-indol-3-yl)-2-methylsulfanyl-propanoic acid","2020-07-15"],["IUZ","2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine","C13 H18 Cl N5","CNc1nc(Cl)nc2n(CC3CCCCC3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)CC3CCCCC3","InChI=1S/C13H18ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,17,18)","","2023-08-03","2023-12-01","2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine","2023-12-06"],["D8M","2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide","C13 H19 N3 O4","OC2C(CC(=O)NCc1ccccn1)OC(C2O)CN;NC[CH]1O[CH](CC(=O)NCc2ccccn2)[CH](O)[CH]1O;c1ccnc(c1)CNC(=O)CC2C(C(C(O2)CN)O)O","InChI=1S/C13H19N3O4/c14-6-10-13(19)12(18)9(20-10)5-11(17)16-7-8-3-1-2-4-15-8/h1-4,9-10,12-13,18-19H,5-7,14H2,(H,16,17)/t9-,10+,12-,13+/m0/s1","","2017-10-23","2020-04-17","2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide (non-preferred name)","2020-04-22"],["D8N","~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide","C11 H12 N2 O2","CC(=O)Nc1ccc(cc1)[CH]2CC=NO2;CC(=O)Nc1ccc(cc1)C2CC=NO2","InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-9(3-5-10)11-6-7-12-15-11/h2-5,7,11H,6H2,1H3,(H,13,14)/t11-/m1/s1","","2018-01-09","2024-09-27","~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide","2018-11-14"],["IV0","N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea","C22 H21 N5 O2","Cc1oc(nc1CCNC(=O)Nc1ccnn1c1ccccc1)c1ccccc1;Cc1oc(nc1CCNC(=O)Nc2ccnn2c3ccccc3)c4ccccc4;Cc1c(nc(o1)c2ccccc2)CCNC(=O)Nc3ccnn3c4ccccc4","InChI=1S/C22H21N5O2/c1-16-19(25-21(29-16)17-8-4-2-5-9-17)12-14-23-22(28)26-20-13-15-24-27(20)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,23,26,28)","","2022-02-01","2022-10-07","N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea","2022-10-12"],["D8P","[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol","C12 H19 N3 O","c21CNCCC(N(c1nc(cc2)C)C)CO;CN1[CH](CO)CCNCc2ccc(C)nc12;Cc1ccc2c(n1)N(C(CCNC2)CO)C","InChI=1S/C12H19N3O/c1-9-3-4-10-7-13-6-5-11(8-16)15(2)12(10)14-9/h3-4,11,13,16H,5-8H2,1-2H3/t11-/m0/s1","","2017-10-23","2020-04-17","[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol","2020-04-22"],["IV1","(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol","C32 H50 O4","CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1;CC(C)(CCCCCc1cc(cc(c1)C=CC=C2CC(CC(C2=C)O)O)CCCCCC(C)(C)O)O","InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1","","2022-04-13","2022-11-18","(1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol","2022-11-23"],["D8Q","~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","C9 H13 N3 O2","CN1C=C(C=CC1=O)C(=O)NCCN;CN1C=C(C=CC1=O)C(=O)NCCN","InChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14)","","2018-01-10","2018-05-25","~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","2018-05-30"],["IV2","5-chloranyl-4-methyl-1,3-benzothiazol-2-amine","C8 H7 Cl N2 S","Clc1c(c2nc(sc2cc1)N)C;Cc1c(Cl)ccc2sc(N)nc12;Cc1c(ccc2c1nc(s2)N)Cl","InChI=1S/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)","","2013-12-23","2014-04-21","5-chloro-4-methyl-1,3-benzothiazol-2-amine","2014-01-22"],["IV3","ivosidenib","C28 H22 Cl F3 N6 O3","FC1(F)CC(C1)NC(=O)C(c1ccccc1Cl)N(c1cc(F)cnc1)C(=O)C1CCC(=O)N1c1nccc(C#N)c1;Fc1cncc(c1)N([CH](C(=O)NC2CC(F)(F)C2)c3ccccc3Cl)C(=O)[CH]4CCC(=O)N4c5cc(ccn5)C#N;c1ccc(c(c1)C(C(=O)NC2CC(C2)(F)F)N(c3cc(cnc3)F)C(=O)C4CCC(=O)N4c5cc(ccn5)C#N)Cl","InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1","N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide","2023-07-04","2024-08-23","N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide","2024-08-28"],["D8R","(2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid","C9 H18 N2 O4","C[CH](O)C(=O)NCCCC[CH](N)C(O)=O;CC(C(=O)NCCCCC(C(=O)O)N)O","InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1","","2022-04-11","2024-09-27","(2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid","2023-05-10"],["D8S","benzo[g][1]benzothiole-2-carboxylic acid","C13 H8 O2 S","OC(=O)c1sc2c(ccc3ccccc23)c1;c1ccc2c(c1)ccc3c2sc(c3)C(=O)O","InChI=1S/C13H8O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-7H,(H,14,15)","","2016-03-14","2016-03-25","benzo[g][1]benzothiole-2-carboxylic acid","2016-03-30"],["IV4","1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one","C24 H21 N5 O2","O=C1N(C=CN1CCc1nc(oc1C)c1ccccc1)c1ccnn1c1ccccc1;Cc1oc(nc1CCN2C=CN(C2=O)c3ccnn3c4ccccc4)c5ccccc5;Cc1c(nc(o1)c2ccccc2)CCN3C=CN(C3=O)c4ccnn4c5ccccc5","InChI=1S/C24H21N5O2/c1-18-21(26-23(31-18)19-8-4-2-5-9-19)13-15-27-16-17-28(24(27)30)22-12-14-25-29(22)20-10-6-3-7-11-20/h2-12,14,16-17H,13,15H2,1H3","","2022-02-01","2022-10-07","1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one","2022-10-12"],["D8T","D-arabinonic acid","C5 H10 O6","O=C(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)C(O)=O;C(C(C(C(C(=O)O)O)O)O)O","InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1","","2011-06-07","2012-06-01","D-arabinonic acid",""],["IV5","(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol","C32 H50 O4","CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C;CC(C)(CCCCCc1cccc(c1)C(=CC=C2CC(CC(C2=C)O)O)CCCCCC(C)(C)O)O","InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1","","2022-04-13","2022-11-18","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol","2022-11-23"],["IV6","3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid","C13 H10 Cl N5 O2","CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O;CNc1c2c(nc(n1)Cl)n(cn2)c3cccc(c3)C(=O)O","InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18)","","2023-08-03","2023-12-01","3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid","2023-12-06"],["D8U","deuterium(1+)","D","[2H+];[2H+];[2H+]","InChI=1S/p+1/i/hD","","2011-04-14","2011-08-12","deuterium(1+)",""],["IV7","(10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one","C21 H22 F N5 O2","Fc3ccc2C(=O)N(Cc1n(nc(c1c4cc(OC(c2c3)C)c(nc4)N)C)C)C;C[CH]1Oc2cc(cnc2N)c3c(C)nn(C)c3CN(C)C(=O)c4ccc(F)cc14;Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3C(Oc4cc2cnc4N)C)F)C","InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/t12-/m1/s1","","2014-01-17","2014-09-05","(10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1H-4,8-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one","2014-05-28"],["D8V","4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol","C13 H19 N3 O S","C(N(C)CC#C)c2nc(C1(CCNCC1)O)cs2;CN(CC#C)Cc1scc(n1)C2(O)CCNCC2;CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O","InChI=1S/C13H19N3OS/c1-3-8-16(2)9-12-15-11(10-18-12)13(17)4-6-14-7-5-13/h1,10,14,17H,4-9H2,2H3","","2017-10-23","2020-04-17","4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol","2020-04-22"],["IV8","(10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline","C19 H21 N7","Cn1nc(nc1CCc1nc2ccc3ccccc3n2n1)N1CCCC1;Cn1nc(nc1CCc2nn3c(ccc4ccccc34)n2)N5CCCC5;Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc5ccccc5n4n3","InChI=1S/C19H21N7/c1-24-17(21-19(23-24)25-12-4-5-13-25)11-9-16-20-18-10-8-14-6-2-3-7-15(14)26(18)22-16/h2-3,6-8,10H,4-5,9,11-13H2,1H3","","2022-02-01","2022-10-07","(10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline","2022-10-12"],["D8W","5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide","C8 H8 N4 O4 S3","O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N;N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1;c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N","InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)","","2008-05-27","2011-06-04","5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide",""],["D8X","(2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate","C8 H17 O8 P","O=P(OCC(O)C(O)(O)C(=O)CC(C)C)(O)O;CC(C)CC(=O)C(O)(O)[CH](O)CO[P](O)(O)=O;CC(C)CC(=O)C(C(COP(=O)(O)O)O)(O)O","InChI=1S/C8H17O8P/c1-5(2)3-6(9)8(11,12)7(10)4-16-17(13,14)15/h5,7,10-12H,3-4H2,1-2H3,(H2,13,14,15)/t7-/m0/s1","","2013-06-27","2013-11-01","(2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate","2013-11-06"],["IV9","1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane","O26 W8","O.O.O.O.O.O.O.O.O.O.O.O1[W]23O[W]45O[W]16O[W]78O[W]9%10O[W]%11%12O[W](O2)(O4)(O%11)[O]56[W](O3)(O7)(O9)[O]8%10%12;[O][W]123(O[W]45(O16[W]7(O2)(O[W]891(O7[W]626(O3)O4[W]34(O282[W](O3)(O9)(O[W]2(O4)(O1)(O6)[O])([O])[O])(O5)[O])[O])([O])[O])([O])[O])[O]","InChI=1S/11H2O.15O.8W/h11*1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;4*+2/p-11","","2022-04-13","2022-08-22","1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane","2022-07-13"],["D8Y","3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine","C13 H13 Cl N2","Nc1ncccc1CCc2cccc(Cl)c2;c1cc(cc(c1)Cl)CCc2cccnc2N","InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16)","","2009-11-20","2011-06-04","3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine",""],["IVA","ISOVALERIC ACID","C5 H10 O2","O=C(O)CC(C)C;CC(C)CC(O)=O;CC(C)CC(=O)O","InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)","","1999-07-08","2024-09-27","3-methylbutanoic acid",""],["IVB","nalfurafine","C28 H32 N2 O5","CN([CH]1CC[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3CC6CC6)c45)C(=O)C=Cc7cocc7;CN(C1CCC2(C3Cc4ccc(c5c4C2(C1O5)CCN3CC6CC6)O)O)C(=O)C=Cc7ccoc7","InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1","~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide","2022-07-19","2023-09-15","(~{E})-~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-prop-2-enamide","2023-04-12"],["D8Z","Artemether","C16 H26 O5","CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3;CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C","InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1","","2018-01-10","2019-01-11","","2019-01-16"],["D90","N-(2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide","C23 H20 Cl N5 O2 S","Clc1cc2cc(nc2cc1)C(=O)Nc3ccccc3NC(=O)c4nc5c(s4)CN(CC5)C;CN1CCc2nc(sc2C1)C(=O)Nc3ccccc3NC(=O)c4[nH]c5ccc(Cl)cc5c4;CN1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1","InChI=1S/C23H20ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h2-7,10-11,25H,8-9,12H2,1H3,(H,26,30)(H,27,31)","","2011-01-18","2011-12-23","N-(2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide",""],["IVC","Isovaleryl-coenzyme A","C26 H44 N7 O17 P3 S","OP(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(=O)(O)OCC(C)(C(O)C(=O)NCCC(NCCSC(CC(C)C)=O)=O)C)(O)=O)(O)=O;CC(C)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1","S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate","2015-07-16","2021-03-13","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-methylbutanethioate (non-preferred name)","2015-09-09"],["IVE","(2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide","C23 H30 Br N3 O5","COc1cc(cc(OC)c1Br)CNNC(=O)C(OCC)c1ccc(cc1)N1CCOCC1;CCO[CH](C(=O)NNCc1cc(OC)c(Br)c(OC)c1)c2ccc(cc2)N3CCOCC3;CCOC(c1ccc(cc1)N2CCOCC2)C(=O)NNCc3cc(c(c(c3)OC)Br)OC","InChI=1S/C23H30BrN3O5/c1-4-32-22(17-5-7-18(8-6-17)27-9-11-31-12-10-27)23(28)26-25-15-16-13-19(29-2)21(24)20(14-16)30-3/h5-8,13-14,22,25H,4,9-12,15H2,1-3H3,(H,26,28)/t22-/m0/s1","","2022-02-01","2022-10-07","(2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide","2022-10-12"],["D91","5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE","C26 H27 Cl N6 O3 S","O=S(=O)(c2cc1cc(Cl)ccc1n2)N5CCN(C(=O)c4ncc(c3ccncc3)cn4)C(CC(C)C)C5;CC(C)C[CH]1CN(CCN1C(=O)c2ncc(cn2)c3ccncc3)[S](=O)(=O)c4[nH]c5ccc(Cl)cc5c4;CC(C)CC1CN(CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl","InChI=1S/C26H27ClN6O3S/c1-17(2)11-22-16-32(37(35,36)24-13-19-12-21(27)3-4-23(19)31-24)9-10-33(22)26(34)25-29-14-20(15-30-25)18-5-7-28-8-6-18/h3-8,12-15,17,22,31H,9-11,16H2,1-2H3/t22-/m1/s1","4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE","2004-12-02","2020-06-17","5-chloro-2-({(3R)-3-(2-methylpropyl)-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1H-indole",""],["IVF","N-(iodoacetyl)-L-valyl-L-phenylalaninamide","C16 H22 I N3 O3","ICC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C;CC(C)[CH](NC(=O)CI)C(=O)N[CH](Cc1ccccc1)C(N)=O;CC(C)C(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)CI","InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1","iodoacetyl-valyl-phenylalanyl-amide","2012-05-07","2024-09-27","N-(iodoacetyl)-L-valyl-L-phenylalaninamide",""],["D92","N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE","C23 H26 Cl N5 O2 S","Clc1cc2cc(nc2cc1)C(=O)NC5CCCCC5NC(=O)c3nc4c(s3)CN(CC4)C;CN1CCc2nc(sc2C1)C(=O)N[CH]3CCCC[CH]3NC(=O)c4[nH]c5ccc(Cl)cc5c4;CN1CCc2c(sc(n2)C(=O)NC3CCCCC3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1","InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1","(-)-CIS-N1-[(5-CHLOROINDOL-2-YL)CARBONYL]-N2-[(5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]-1,2-CYCLOHEXANEDIAMINE","2007-03-16","2021-03-13","N-[(1R,2S)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide",""],["IVG","D-Xylose, 4-O-beta-D-xylopyranosyl-","C10 H18 O9","OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O;C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)O)O","InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1","Xylobiose","2022-04-14","2023-03-31","(2~{R},3~{R},4~{R})-2,3,5-tris(oxidanyl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pentanal","2023-04-05"],["D93","N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE","C23 H26 Cl N5 O2 S","Clc1cc2cc(nc2cc1)C(=O)NC5CCCCC5NC(=O)c3nc4c(s3)CN(CC4)C;CN1CCc2nc(sc2C1)C(=O)N[CH]3CCCC[CH]3NC(=O)c4[nH]c5ccc(Cl)cc5c4;CN1CCc2c(sc(n2)C(=O)NC3CCCCC3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1","InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1","TRANS-N1-[(5-CHLOROINDOL-2-YL)CARBONYL]-N2-[(5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]-1,2-CYCLOHEXANEDIAMINE","2007-03-16","2021-03-13","N-[(1R,2R)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide",""],["D94","3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine","C30 H31 N7","n2c1cc(ccc1ccc2c3ccccc3)c5nc(n4ccnc(N)c45)C7CC(N6CCN(CC6)C)C7;CN1CCN(CC1)[CH]2C[CH](C2)c3nc(c4ccc5ccc(nc5c4)c6ccccc6)c7n3ccnc7N;CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7","InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+","","2008-05-27","2011-06-04","3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine",""],["IVH","2-(butylsulfanyl)adenosine","C14 H21 N5 O4 S","n2c1c(nc(SCCCC)nc1n(c2)C3OC(C(O)C3O)CO)N;CCCCSc1nc(N)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1;CCCCSc1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N","InChI=1S/C14H21N5O4S/c1-2-3-4-24-14-17-11(15)8-12(18-14)19(6-16-8)13-10(22)9(21)7(5-20)23-13/h6-7,9-10,13,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,9-,10-,13-/m1/s1","","2010-11-19","2011-06-04","2-(butylsulfanyl)adenosine",""],["D95","Artesunate","C19 H28 O8","C[CH]1CC[CH]2[CH](C)[CH](O[CH]3O[C]4(C)CC[CH]1[C]23OO4)OC(=O)CCC(O)=O;CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1","","2018-01-10","2019-01-11","","2019-01-16"],["IVI","2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide","C14 H13 Cl N6 O","CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12;CNc1c2c(nc(n1)Cl)n(cn2)CC(=O)Nc3ccccc3","InChI=1S/C14H13ClN6O/c1-16-12-11-13(20-14(15)19-12)21(8-17-11)7-10(22)18-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22)(H,16,19,20)","","2023-08-03","2023-12-01","2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide","2023-12-06"],["D96","N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid","C19 H19 N5 O6","N=2c1ncc(c1C(NC=2N)=O)Cc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O;NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1;c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C19H19N5O6/c20-19-23-15-14(17(28)24-19)11(8-21-15)7-9-1-3-10(4-2-9)16(27)22-12(18(29)30)5-6-13(25)26/h1-4,8,12H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t12-/m1/s1","","2019-04-15","2019-06-14","N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid","2019-06-19"],["IVJ","N~5~-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-4,5-dicarboxamide","C19 H15 Cl N6 O2","O=C(N)c1cnn(C)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1cccc(Cl)c1;Cn1ncc(C(N)=O)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4cccc(Cl)c4;Cn1c(c(cn1)C(=O)N)C(=O)Nc2ccc3c(c2)nc([nH]3)c4cccc(c4)Cl","InChI=1S/C19H15ClN6O2/c1-26-16(13(9-22-26)17(21)27)19(28)23-12-5-6-14-15(8-12)25-18(24-14)10-3-2-4-11(20)7-10/h2-9H,1H3,(H2,21,27)(H,23,28)(H,24,25)","","2022-02-01","2022-10-07","N~5~-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-4,5-dicarboxamide","2022-10-12"],["IVK","(3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE","C25 H21 Cl F4 N4 O3","FC(F)(F)CN4CC(C(=O)Nc1ccc(Cl)cc1)C(C(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)C4;Fc1cc(ccc1NC(=O)[CH]2CN(C[CH]2C(=O)Nc3ccc(Cl)cc3)CC(F)(F)F)N4C=CC=CC4=O;c1cc(ccc1NC(=O)C2CN(CC2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl","InChI=1S/C25H21ClF4N4O3/c26-15-4-6-16(7-5-15)31-23(36)18-12-33(14-25(28,29)30)13-19(18)24(37)32-21-9-8-17(11-20(21)27)34-10-2-1-3-22(34)35/h1-11,18-19H,12-14H2,(H,31,36)(H,32,37)/t18-,19-/m0/s1","","2010-04-16","2011-06-04","(3R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide",""],["D97","(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol","C20 H25 N3 O4","O5CCN(C3C4OCC(C(NCc1cc2c(nc1)cccc2)C3O)O4)CC5;O[CH]1[CH](NCc2cnc3ccccc3c2)[CH]4CO[CH](O4)[CH]1N5CCOCC5;c1ccc2c(c1)cc(cn2)CNC3C4COC(O4)C(C3O)N5CCOCC5","InChI=1S/C20H25N3O4/c24-19-17(22-11-13-9-14-3-1-2-4-15(14)21-10-13)16-12-26-20(27-16)18(19)23-5-7-25-8-6-23/h1-4,9-10,16-20,22,24H,5-8,11-12H2/t16-,17-,18-,19+,20-/m1/s1","","2017-10-23","2020-04-17","(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["D98","2-(4'-CARBAMIMIDOYL-2'-HYDROXYBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE","C21 H18 N6 O","n2c1cc(ccc1nc2c4ccc(c3ccc(C(=[N@H])N)cc3O)cc4)C(=[N@H])N;NC(=N)c1ccc(c(O)c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N;c1cc(ccc1c2ccc(cc2O)C(=N)N)c3[nH]c4ccc(cc4n3)C(=N)N","InChI=1S/C21H18N6O/c22-19(23)13-6-8-16-17(9-13)27-21(26-16)12-3-1-11(2-4-12)15-7-5-14(20(24)25)10-18(15)28/h1-10,28H,(H3,22,23)(H3,24,25)(H,26,27)","","2012-02-02","2014-09-05","2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1H-benzimidazole-5-carboximidamide","2013-01-11"],["IVL","1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium","C9 H18 N O2","O=C(O)CCC[N+]1(CCCC1)C;C[N+]1(CCCC1)CCCC(O)=O;C[N+]1(CCCC1)CCCC(=O)O","InChI=1S/C9H17NO2/c1-10(6-2-3-7-10)8-4-5-9(11)12/h2-8H2,1H3/p+1","","2013-03-22","2014-09-05","1-(3-carboxypropyl)-1-methylpyrrolidinium","2014-03-12"],["WAD","(10R)-10-hydroxyoctadecanoic acid","C18 H36 O3","C(CCCCC(CCCCCCCCC(O)=O)O)CCC;CCCCCCCC[CH](O)CCCCCCCCC(O)=O;CCCCCCCCC(CCCCCCCCC(=O)O)O","InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1","(R)-10-Hydroxystearic acid","2020-10-05","2021-03-01","(10R)-10-hydroxyoctadecanoic acid","2021-01-06"],["D99","(3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid","C28 H34 Cl2 N2 O5","O=C(N1CCCC(C(=O)O)C1)CCC(=O)N(c2ccc(Cl)cc2C(O)c3ccccc3Cl)CC(C)(C)C;CC(C)(C)CN(C(=O)CCC(=O)N1CCC[CH](C1)C(O)=O)c2ccc(Cl)cc2[CH](O)c3ccccc3Cl;CC(C)(C)CN(c1ccc(cc1C(c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCCC(C3)C(=O)O","InChI=1S/C28H34Cl2N2O5/c1-28(2,3)17-32(25(34)13-12-24(33)31-14-6-7-18(16-31)27(36)37)23-11-10-19(29)15-21(23)26(35)20-8-4-5-9-22(20)30/h4-5,8-11,15,18,26,35H,6-7,12-14,16-17H2,1-3H3,(H,36,37)/t18-,26-/m1/s1","","2011-01-12","2011-12-16","(3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid",""],["WAE","N-(2,6-dimethylphenyl)methanesulfonamide","C9 H13 N O2 S","O=S(C)(=O)Nc1c(C)cccc1C;Cc1cccc(C)c1N[S](C)(=O)=O;Cc1cccc(c1NS(=O)(=O)C)C","InChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3","","2022-09-02","2022-10-28","N-(2,6-dimethylphenyl)methanesulfonamide","2022-11-02"],["D9A","N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid","C28 H33 Cl N2 O9","O=C(O)C(NC(=O)CC2OC(c1c(ccc(Cl)c1)N(C2=O)CC(C)(C)C)c3cccc(OC)c3OC)CC(=O)O;COc1cccc([CH]2O[CH](CC(=O)N[CH](CC(O)=O)C(O)=O)C(=O)N(CC(C)(C)C)c3ccc(Cl)cc23)c1OC;CC(C)(C)CN1c2ccc(cc2C(OC(C1=O)CC(=O)NC(CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl","InChI=1S/C28H33ClN2O9/c1-28(2,3)14-31-19-10-9-15(29)11-17(19)24(16-7-6-8-20(38-4)25(16)39-5)40-21(26(31)35)13-22(32)30-18(27(36)37)12-23(33)34/h6-11,18,21,24H,12-14H2,1-5H3,(H,30,32)(H,33,34)(H,36,37)/t18-,21+,24+/m0/s1","","2011-01-12","2011-12-16","N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid",""],["D9B","~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","C18 H20 N4 O4","CN(C)CCN1C(=O)Oc2ccc(NC(=O)C3=CN(C)C(=O)C=C3)cc12;CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C","InChI=1S/C18H20N4O4/c1-20(2)8-9-22-14-10-13(5-6-15(14)26-18(22)25)19-17(24)12-4-7-16(23)21(3)11-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,24)","","2018-01-10","2018-05-25","~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","2018-05-30"],["WAF","1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid","C6 H5 N O3 S","S=C1C=CC=C(C(=O)O)N1O;ON1C(=S)C=CC=C1C(O)=O;C1=CC(=S)N(C(=C1)C(=O)O)O","InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)","","2023-05-09","2023-08-18","1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid","2023-08-23"],["D9C","4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one","C20 H19 N O5","CCOc1c(OC)ccc2C=C3N(C)C(=O)c4ccc(OC)c(Oc12)c34;CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC","InChI=1S/C20H19NO5/c1-5-25-19-15(24-4)8-6-11-10-13-16-12(20(22)21(13)2)7-9-14(23-3)18(16)26-17(11)19/h6-10H,5H2,1-4H3","","2019-07-24","2020-07-03","","2020-07-08"],["WAG","(1S,2R)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid","C20 H19 N O5","N[C](C[CH]1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O;c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)(C(=O)O)N","InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15+,20-/m0/s1","","2023-09-22","2024-11-22","(1~{S},2~{R})-2-[(2~{S})-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9~{H}-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid","2024-11-27"],["D9D","(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol","C16 H24 N2 O6","OC2C(C3COC(C2N1CCOCC1)O3)NCc4oc(CO)cc4;OCc1oc(CN[CH]2[CH]3CO[CH](O3)[CH]([CH]2O)N4CCOCC4)cc1;c1cc(oc1CNC2C3COC(O3)C(C2O)N4CCOCC4)CO","InChI=1S/C16H24N2O6/c19-8-11-2-1-10(23-11)7-17-13-12-9-22-16(24-12)14(15(13)20)18-3-5-21-6-4-18/h1-2,12-17,19-20H,3-9H2/t12-,13-,14-,15+,16-/m1/s1","","2017-10-23","2020-04-17","(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["WAH","N-ethyl-1-(4-fluorophenyl)methanesulfonamide","C9 H12 F N O2 S","Fc1ccc(CS(=O)(=O)NCC)cc1;CCN[S](=O)(=O)Cc1ccc(F)cc1;CCNS(=O)(=O)Cc1ccc(cc1)F","InChI=1S/C9H12FNO2S/c1-2-11-14(12,13)7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3","","2022-09-02","2022-10-28","N-ethyl-1-(4-fluorophenyl)methanesulfonamide","2022-11-02"],["WAI","4-{2-[4-(2-AMINOETHYL)PIPERAZIN-1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-4-METHYLPHENYL)PYRIMIDIN-2-AMINE","C22 H26 Cl N7","Clc1c(ccc(c1)Nc2nccc(n2)c3cc(ncc3)N4CCN(CCN)CC4)C;Cc1ccc(Nc2nccc(n2)c3ccnc(c3)N4CCN(CCN)CC4)cc1Cl;Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN","InChI=1S/C22H26ClN7/c1-16-2-3-18(15-19(16)23)27-22-26-8-5-20(28-22)17-4-7-25-21(14-17)30-12-10-29(9-6-24)11-13-30/h2-5,7-8,14-15H,6,9-13,24H2,1H3,(H,26,27,28)","","2004-12-06","2011-06-04","4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-N-(3-chloro-4-methylphenyl)pyrimidin-2-amine",""],["D9F","(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one","C24 H34 O5","C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](O)CC=CC=CC(=O)O1;CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)O)O)O","InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8-,18-12-/t20-,21-,22+,23+/m1/s1","","2019-07-24","2020-07-24","(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one","2020-07-29"],["WAK","(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one","C21 H22 N4 O S","O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5;c1cc2c(cc1C=C3C(=O)NC(=N3)NC45CC6CC(C4)CC(C6)C5)scn2","InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21-","","2023-05-10","2023-05-12","(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one","2023-05-17"],["D9G","N-DODECYL-N,N-DIMETHYLGLYCINATE","C16 H33 N O2","[O-]C(=O)C[N+](CCCCCCCCCCCC)(C)C;CCCCCCCCCCCC[N+](C)(C)CC([O-])=O;CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]","InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3","","2005-03-15","2011-06-04","[dodecyl(dimethyl)ammonio]acetate",""],["WAL","(4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine","C19 H22 N8","Cn1nccc1Nc1nccc(n1)c1cc2nnc(CC(C)CC)n2cc1;CC[CH](C)Cc1nnc2cc(ccn12)c3ccnc(Nc4ccnn4C)n3;CCC(C)Cc1nnc2n1ccc(c2)c3ccnc(n3)Nc4ccnn4C","InChI=1S/C19H22N8/c1-4-13(2)11-17-24-25-18-12-14(7-10-27(17)18)15-5-8-20-19(22-15)23-16-6-9-21-26(16)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22,23)/t13-/m0/s1","","2023-09-28","2024-03-22","(4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine","2024-03-27"],["D9H","4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide","C11 H13 Cl N6 O3 S","Clc1nc(nc(n1)NCCO)Nc2ccc(cc2)S(=O)(=O)N;N[S](=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1;c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N","InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)","","2010-04-21","2011-06-04","4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide",""],["WAM","2-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide","C20 H19 N2 O3","C[n+]1c(cc(c2c1cccc2)C(=O)N)[C@H]=[C@H]c3cc(OC)c(cc3)O;COc1cc(ccc1O)C=Cc2cc(C(N)=O)c3ccccc3[n+]2C;C[n+]1c2ccccc2c(cc1C=Cc3ccc(c(c3)OC)O)C(=O)N","InChI=1S/C20H18N2O3/c1-22-14(9-7-13-8-10-18(23)19(11-13)25-2)12-16(20(21)24)15-5-3-4-6-17(15)22/h3-12H,1-2H3,(H2,21,24)/p+1","","2020-10-05","2021-06-18","4-carbamoyl-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium","2021-06-23"],["D9I","3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid","C16 H19 N3 O6 S2","CCOC(=O)c1sc(nc1C)N(CCC(O)=O)c2ccc(cc2)[S](N)(=O)=O;CCOC(=O)c1c(nc(s1)N(CCC(=O)O)c2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C16H19N3O6S2/c1-3-25-15(22)14-10(2)18-16(26-14)19(9-8-13(20)21)11-4-6-12(7-5-11)27(17,23)24/h4-7H,3,8-9H2,1-2H3,(H,20,21)(H2,17,23,24)","","2021-12-14","2022-08-22","3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid","2022-05-04"],["WAN","5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide","C15 H19 N5 O4 S2","O=S(=O)(N)c3sc(OCC)c(C1=Nc2c(C(=O)N1)n(nc2CCC)C)c3;CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(sc3OCC)[S](N)(=O)=O;CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N","InChI=1S/C15H19N5O4S2/c1-4-6-9-11-12(20(3)19-9)14(21)18-13(17-11)8-7-10(26(16,22)23)25-15(8)24-5-2/h7H,4-6H2,1-3H3,(H2,16,22,23)(H,17,18,21)","","2007-12-06","2011-06-04","5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide",""],["D9J","(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol","C24 H19 Cl2 F5 N6 O4","Cc1nn(c(n1)[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)c5cc(Cl)ccc5C(F)(F)F;Cc1nc(n(n1)c2cc(ccc2C(F)(F)F)Cl)C3C(C(C(C(O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)Cl)F)O","InChI=1S/C24H19Cl2F5N6O4/c1-9-32-23(37(34-9)16-6-11(25)2-3-12(16)24(29,30)31)22-21(40)19(20(39)17(8-38)41-22)36-7-15(33-35-36)10-4-13(27)18(26)14(28)5-10/h2-7,17,19-22,38-40H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1","","2022-04-12","2022-10-07","(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol","2022-10-12"],["WAO","2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C10 H9 Cl F N3 O","Fc1ccc(cc1Cl)CN1N=CN(C)C1=O;CN1C=NN(Cc2ccc(F)c(Cl)c2)C1=O;CN1C=NN(C1=O)Cc2ccc(c(c2)Cl)F","InChI=1S/C10H9ClFN3O/c1-14-6-13-15(10(14)16)5-7-2-3-9(12)8(11)4-7/h2-4,6H,5H2,1H3","","2022-09-02","2022-10-28","2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2022-11-02"],["D9K","~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine","C11 H16 N2 O2 S","Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2;Cc1c(cccn1)NC2CCCS(=O)(=O)C2","InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1","","2018-01-11","2018-05-25","~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine","2018-05-30"],["D9L","4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid","C8 H13 N O4 S","CC(=O)NCCSC(=O)CCC(O)=O;CC(=O)NCCSC(=O)CCC(=O)O","InChI=1S/C8H13NO4S/c1-6(10)9-4-5-14-8(13)3-2-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)","","2019-07-24","2020-07-24","4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid","2020-07-29"],["WAP","7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C18 H15 N9","N#Cc1cnn2c(NC3CC3)cc(Nc4cccc(c4)n5cnnc5)nc12;c1cc(cc(c1)n2cnnc2)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5","InChI=1S/C18H15N9/c19-8-12-9-22-27-17(24-13-4-5-13)7-16(25-18(12)27)23-14-2-1-3-15(6-14)26-10-20-21-11-26/h1-3,6-7,9-11,13,24H,4-5H2,(H,23,25)","","2023-05-10","2023-05-12","7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2023-05-17"],["D9M","(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol","C16 H23 N3 O4","O1CCN(CC1)C3C4OCC(C(NCc2ccncc2)C3O)O4;O[CH]1[CH](NCc2ccncc2)[CH]3CO[CH](O3)[CH]1N4CCOCC4;c1cnccc1CNC2C3COC(O3)C(C2O)N4CCOCC4","InChI=1S/C16H23N3O4/c20-15-13(18-9-11-1-3-17-4-2-11)12-10-22-16(23-12)14(15)19-5-7-21-8-6-19/h1-4,12-16,18,20H,5-10H2/t12-,13-,14-,15+,16-/m1/s1","","2017-10-23","2020-04-17","(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["WAQ","PIMELOYL-AMP","C17 H24 N5 O10 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCCCC(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N","InChI=1S/C17H24N5O10P/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(27)13(26)9(31-17)6-30-33(28,29)32-11(25)5-3-1-2-4-10(23)24/h7-9,13-14,17,26-27H,1-6H2,(H,23,24)(H,28,29)(H2,18,19,20)/t9-,13-,14-,17-/m1/s1","","2015-10-28","2016-11-11","7-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-7-oxidanylidene-heptanoic acid","2016-11-16"],["WAR","~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide","C45 H91 N O4","CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O","InChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-44(49)46-42(41-47)45(50)43(48)39-37-35-33-31-29-16-14-12-10-8-6-4-2/h42-43,45,47-48,50H,3-41H2,1-2H3,(H,46,49)/t42-,43+,45-/m0/s1","","2023-10-03","2024-08-30","~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide","2024-09-04"],["D9N","methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate","C28 H26 N2 O6 S2","CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cccnc3OCc4ccc(cc4)C(=O)OC)cc1;CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC","InChI=1S/C28H26N2O6S2/c1-3-38(33,34)23-12-8-19(9-13-23)15-25(31)30-26-16-22(18-37-26)24-5-4-14-29-27(24)36-17-20-6-10-21(11-7-20)28(32)35-2/h4-14,16,18H,3,15,17H2,1-2H3,(H,30,31)","","2018-01-11","2018-08-17","methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate","2018-08-22"],["D9O","4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid","C28 H38 O8","C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](CC=CC=CC(=O)O1)OC(=O)CCC(O)=O;CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)OC(=O)CCC(=O)O)O)O","InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5+,11-6-,14-8-,16-10+,18-12+/t22-,23+,24+,25-/m1/s1","","2019-07-24","2020-07-24","4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid","2020-07-29"],["WAS","2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate","C18 H31 N7 O9","N(CCNC(=O)OCCNc1ccc(cc1[N+](=O)[O-])NNN)C2C(C(C(C(CO)(C2)O)O)O)O;NNNc1ccc(NCCOC(=O)NCCN[CH]2C[C](O)(CO)[CH](O)[CH](O)[CH]2O)c(c1)[N+]([O-])=O;c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCNC2CC(C(C(C2O)O)O)(CO)O","InChI=1S/C18H31N7O9/c19-24-23-10-1-2-11(13(7-10)25(32)33)21-5-6-34-17(30)22-4-3-20-12-8-18(31,9-26)16(29)15(28)14(12)27/h1-2,7,12,14-16,20-21,23-24,26-29,31H,3-6,8-9,19H2,(H,22,30)/t12-,14-,15+,16-,18-/m0/s1","","2020-10-05","2021-10-01","2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate","2021-10-06"],["D9P","1-desthiobiotinylpyrene","C26 H26 N2 O2","O=C(c1ccc4c2c1ccc3c2c(ccc3)cc4)CCCCCC5NC(NC5C)=O;C[CH]1NC(=O)N[CH]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45;CC1C(NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5","InChI=1S/C26H26N2O2/c1-16-22(28-26(30)27-16)8-3-2-4-9-23(29)20-14-12-19-11-10-17-6-5-7-18-13-15-21(20)25(19)24(17)18/h5-7,10-16,22H,2-4,8-9H2,1H3,(H2,27,28,30)/t16-,22+/m0/s1","","2016-03-15","2016-10-07","(4S,5R)-4-methyl-5-[6-oxo-6-(pyren-1-yl)hexyl]imidazolidin-2-one","2016-10-12"],["WAU","7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","C17 H14 N10","N#Cc1cnn2c(NC3CC3)cc(Nc4ccnc(c4)n5cnnc5)nc12;c1cnc(cc1Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4)n5cnnc5","InChI=1S/C17H14N10/c18-7-11-8-22-27-16(24-12-1-2-12)6-14(25-17(11)27)23-13-3-4-19-15(5-13)26-9-20-21-10-26/h3-6,8-10,12,24H,1-2H2,(H,19,23,25)","","2023-05-10","2023-06-16","7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","2023-06-21"],["WAV","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol","C17 H30 N6 O8","N(CCOCCNc1ccc(cc1[N+]([O-])=O)NNN)C2C(C(O)C(C(CO)(C2)O)O)O;NNNc1ccc(NCCOCCN[CH]2C[C](O)(CO)[CH](O)[CH](O)[CH]2O)c(c1)[N+]([O-])=O;c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCNC2CC(C(C(C2O)O)O)(CO)O","InChI=1S/C17H30N6O8/c18-22-21-10-1-2-11(13(7-10)23(29)30)19-3-5-31-6-4-20-12-8-17(28,9-24)16(27)15(26)14(12)25/h1-2,7,12,14-16,19-22,24-28H,3-6,8-9,18H2/t12-,14-,15+,16-,17-/m0/s1","","2020-10-05","2021-10-01","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol","2021-10-06"],["D9Q","1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide","C13 H19 N3 O2","CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2;CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2","InChI=1S/C13H19N3O2/c1-15-10-11(4-5-12(15)17)13(18)14-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)","","2018-01-11","2018-05-25","1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide","2018-05-30"],["WAW","N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide","C22 H19 F N6 O","Fc1nccnc1N1Cc2ccccc2CC1CNC(=O)c1cccc2[NH]ncc12;Fc1nccnc1N2Cc3ccccc3C[CH]2CNC(=O)c4cccc5[nH]ncc45;c1ccc2c(c1)CC(N(C2)c3c(nccn3)F)CNC(=O)c4cccc5c4cn[nH]5","InChI=1S/C22H19FN6O/c23-20-21(25-9-8-24-20)29-13-15-5-2-1-4-14(15)10-16(29)11-26-22(30)17-6-3-7-19-18(17)12-27-28-19/h1-9,12,16H,10-11,13H2,(H,26,30)(H,27,28)/t16-/m0/s1","","2023-09-29","2024-10-04","N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide","2024-10-09"],["D9S","2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide","C23 H29 N5 O2 S","c1cc(ccc1)CN(Cc2cc(no2)CC3CNCCC3CC(Nc4nccs4)=O)C;CN(Cc1onc(C[CH]2CNCC[CH]2CC(=O)Nc3sccn3)c1)Cc4ccccc4;CN(Cc1ccccc1)Cc2cc(no2)CC3CNCCC3CC(=O)Nc4nccs4","InChI=1S/C23H29N5O2S/c1-28(15-17-5-3-2-4-6-17)16-21-13-20(27-30-21)11-19-14-24-8-7-18(19)12-22(29)26-23-25-9-10-31-23/h2-6,9-10,13,18-19,24H,7-8,11-12,14-16H2,1H3,(H,25,26,29)/t18-,19-/m0/s1","","2017-10-23","2020-04-17","2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide","2020-04-22"],["D9T","~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","C14 H21 N3 O2","CN1C=C(C=CC1=O)C(=O)NCC2(N)CCCCC2;CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N","InChI=1S/C14H21N3O2/c1-17-9-11(5-6-12(17)18)13(19)16-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,19)","","2018-01-11","2018-05-25","~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide","2018-05-30"],["WAX","(3-aminophenyl)(morpholin-4-yl)methanone","C11 H14 N2 O2","O=C(c1cccc(N)c1)N1CCOCC1;Nc1cccc(c1)C(=O)N2CCOCC2;c1cc(cc(c1)N)C(=O)N2CCOCC2","InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2","","2022-09-02","2022-10-28","(3-aminophenyl)(morpholin-4-yl)methanone","2022-11-02"],["D9U","1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine","C32 H54 N10 O5","NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2ccc(CNC(=O)CCCNC(=O)[CH](CCCCNC1=O)NC(N)=N)cc2;c1cc2ccc1CC(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NCCCC(=O)NC2)NC(=N)N)CCCCN)CCCCN","InChI=1S/C32H54N10O5/c33-16-4-1-8-24-29(45)37-18-6-3-10-25(42-32(35)36)30(46)38-19-7-11-27(43)39-21-23-14-12-22(13-15-23)20-28(44)40-26(31(47)41-24)9-2-5-17-34/h12-15,24-26H,1-11,16-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25-,26-/m0/s1","","2019-07-25","2020-06-12","1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine","2020-06-17"],["WAY","N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-BENZAMIDE","C21 H21 N3 O5 S","O=C(NO)c3cccc(c3N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C;COc1ccc(cc1)[S](=O)(=O)N(Cc2cccnc2)c3c(C)cccc3C(=O)NO;Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO","InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)","WAY-151693","2000-08-18","2021-03-01","N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](pyridin-3-ylmethyl)amino}-3-methylbenzamide",""],["D9V","(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol","C16 H24 N2 O4","OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4;O[CH]1[CH](NCc2occc2)[CH]3CO[CH](O3)[CH]1N4CCCCC4;c1cc(oc1)CNC2C3COC(O3)C(C2O)N4CCCCC4","InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1","","2017-10-23","2020-04-17","(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["WAZ","(4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one","C18 H22 N4 O2 S","COC[CH](CC(C)C)NC1=NC(=Cc2ccc3ncsc3c2)C(=O)N1;CC(C)CC(COC)NC1=NC(=Cc2ccc3c(c2)scn3)C(=O)N1","InChI=1S/C18H22N4O2S/c1-11(2)6-13(9-24-3)20-18-21-15(17(23)22-18)7-12-4-5-14-16(8-12)25-10-19-14/h4-5,7-8,10-11,13H,6,9H2,1-3H3,(H2,20,21,22,23)/b15-7-/t13-/m1/s1","","2023-05-10","2023-05-12","(4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one","2023-05-17"],["WB0","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide","C30 H30 Cl2 F N5 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NC;CNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;CNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C30H30Cl2FN5O3/c1-36-28(39)16-24(12-18-6-10-23(33)11-7-18)37-30(41)27(14-20-8-9-22(31)15-25(20)32)38-29(40)26(35)13-19-4-2-3-5-21(19)17-34/h2-11,15,24,26-27H,12-14,16,35H2,1H3,(H,36,39)(H,37,41)(H,38,40)/t24-,26+,27+/m0/s1","","2023-09-29","2024-12-20","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide","2024-12-25"],["D9W","~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide","C17 H17 Br N4 O2","C[C]1(COCC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2;CC1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br","InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1","","2018-01-11","2018-06-01","~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide","2018-06-06"],["WB1","6-methyl-1H-indole-3-carboxylic acid","C10 H9 N O2","c1c(C)ccc2c(C(O)=O)cnc12;Cc1ccc2c([nH]cc2C(O)=O)c1;Cc1ccc2c(c1)[nH]cc2C(=O)O","InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)","","2020-10-05","2020-12-11","6-methyl-1H-indole-3-carboxylic acid","2020-12-16"],["D9X","(2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate","C63 H81 N5 O14","CC(C)CN1CCN(CC1)c1cc2OC3C4NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC5(C)Oc6c(C)c(O)c(C4=O)c(C3=Nc2c(OCc2ccc(CN3CCOCC3)cc2)c1)c6C5=O;CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)[CH](NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C)[CH]5Oc6cc(cc(OCc7ccc(CN8CCOCC8)cc7)c6N=C5c4c3C2=O)N9CCN(CC9)CC(C)C;Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(C2=O)C5C3=Nc6c(cc(cc6OCc7ccc(cc7)CN8CCOCC8)N9CCN(CC9)CC(C)C)O5)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","InChI=1S/C63H81N5O14/c1-34(2)31-66-20-22-68(23-21-66)44-29-46(78-33-43-17-15-42(16-18-43)32-67-24-27-77-28-25-67)51-47(30-44)81-60-52(64-51)48-49-56(72)40(8)59-50(48)61(74)63(10,82-59)79-26-19-45(76-11)37(5)58(80-41(9)69)39(7)55(71)38(6)54(70)35(3)13-12-14-36(4)62(75)65-53(60)57(49)73/h12-19,26,29-30,34-35,37-39,45,53-55,58,60,70-72H,20-25,27-28,31-33H2,1-11H3,(H,65,75)/b13-12+,26-19+,36-14-/t35-,37+,38+,39+,45-,53-,54-,55+,58+,60?,63-/m0/s1","","2021-11-29","2022-07-08","(2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate","2022-07-13"],["WB2","2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid","C52 H48 N4 O14 S2","COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)C(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)C(C)C)cc7)C(O)=O)C(O)=O;CC(C)C(=O)Nc1ccc(cc1)C(=O)NC2(C(C(C2c3ccc(c(c3)OC)OC(=O)c4cccs4)(C(=O)O)NC(=O)c5ccc(cc5)NC(=O)C(C)C)c6ccc(c(c6)OC)OC(=O)c7cccs7)C(=O)O","InChI=1S/C52H48N4O14S2/c1-27(2)43(57)53-33-17-11-29(12-18-33)45(59)55-51(49(63)64)41(31-15-21-35(37(25-31)67-5)69-47(61)39-9-7-23-71-39)52(50(65)66,56-46(60)30-13-19-34(20-14-30)54-44(58)28(3)4)42(51)32-16-22-36(38(26-32)68-6)70-48(62)40-10-8-24-72-40/h7-28,41-42H,1-6H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H,63,64)(H,65,66)/t41-,42+,51+,52-","","2022-04-01","2022-06-24","2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid","2022-06-29"],["D9Y","1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea","C18 H31 N3 O4","OC3C(NC(=O)NC1CCCCC1)C4COC(C3N2CCCCC2)O4;O[CH]1[CH](NC(=O)NC2CCCCC2)[CH]3CO[CH](O3)[CH]1N4CCCCC4;C1CCC(CC1)NC(=O)NC2C3COC(O3)C(C2O)N4CCCCC4","InChI=1S/C18H31N3O4/c22-16-14(20-18(23)19-12-7-3-1-4-8-12)13-11-24-17(25-13)15(16)21-9-5-2-6-10-21/h12-17,22H,1-11H2,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1","","2017-10-23","2020-04-17","1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea (non-preferred name)","2020-04-22"],["WB3","(2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile","C31 H32 N6 O3 S","Cc1cc(C=CC#N)cc(C)c1Oc1nc(nc2ncccc21)NC1CCN(Cc2ccc(cc2)S(C)(=O)=O)CC1;Cc1cc(C=CC#N)cc(C)c1Oc2nc(NC3CCN(CC3)Cc4ccc(cc4)[S](C)(=O)=O)nc5ncccc25;Cc1cc(cc(c1Oc2c3cccnc3nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)C)C)C=CC#N","InChI=1S/C31H32N6O3S/c1-21-18-24(6-4-14-32)19-22(2)28(21)40-30-27-7-5-15-33-29(27)35-31(36-30)34-25-12-16-37(17-13-25)20-23-8-10-26(11-9-23)41(3,38)39/h4-11,15,18-19,25H,12-13,16-17,20H2,1-3H3,(H,33,34,35,36)/b6-4+","","2022-05-27","2025-05-02","(2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile","2025-05-07"],["D9Z","5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide","C8 H6 Cl N3 O2 S2","O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N;N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl;c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl","InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)","","2008-06-03","2011-06-04","5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide",""],["WB4","N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide","C30 H29 N5 O2 S2","C(NC(=O)c1cncs1)(CCCCNC(=O)c2c(cccc2)SC)c3nc(cn3)c4cc5ccccc5cc4;CSc1ccccc1C(=O)NCCCC[CH](NC(=O)c2scnc2)c3[nH]c(cn3)c4ccc5ccccc5c4;CSc1ccccc1C(=O)NCCCCC(c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5","InChI=1S/C30H29N5O2S2/c1-38-26-12-5-4-10-23(26)29(36)32-15-7-6-11-24(35-30(37)27-18-31-19-39-27)28-33-17-25(34-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-10,12-14,16-19,24H,6-7,11,15H2,1H3,(H,32,36)(H,33,34)(H,35,37)/t24-/m0/s1","","2020-10-06","2020-12-25","N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide","2020-12-30"],["DA","2'-DEOXYADENOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1","","2001-01-25","2024-09-27","2'-deoxy-5'-adenylic acid",""],["WB5","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide","C30 H31 Cl2 N5 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccccc1)CC(=O)NC;CNC(=O)C[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;CNC(=O)CC(Cc1ccccc1)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C30H31Cl2N5O3/c1-35-28(38)17-24(13-19-7-3-2-4-8-19)36-30(40)27(15-21-11-12-23(31)16-25(21)32)37-29(39)26(34)14-20-9-5-6-10-22(20)18-33/h2-12,16,24,26-27H,13-15,17,34H2,1H3,(H,35,38)(H,36,40)(H,37,39)/t24-,26+,27+/m0/s1","","2023-09-29","2024-12-20","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide","2024-12-25"],["DA1","PYRIDINE-2,5-DIAMINE","C5 H7 N3","n1cc(N)ccc1N;Nc1ccc(N)nc1;c1cc(ncc1N)N","InChI=1S/C5H7N3/c6-4-1-2-5(7)8-3-4/h1-3H,6H2,(H2,7,8)","","2005-08-29","2011-06-04","pyridine-2,5-diamine",""],["DA2","NG,NG-DIMETHYL-L-ARGININE","C8 H18 N4 O2","CN(C)C(/NCCCC(N)C(=O)O)=N;CN(C)C(=N)NCCC[CH](N)C(O)=O;CN(C)C(=N)NCCCC(C(=O)O)N","InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1","ADMA","1999-07-27","2024-09-27","N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine",""],["WB6","5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide","C10 H18 Cl N3 O2 S","Clc1c(ncn1C)S(=O)(=O)N(C)C(C)CCC;CCC[CH](C)N(C)[S](=O)(=O)c1ncn(C)c1Cl;CCCC(C)N(C)S(=O)(=O)c1c(n(cn1)C)Cl","InChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/t8-/m0/s1","","2022-09-02","2022-10-28","5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide","2022-11-02"],["DA3","(2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID","C7 H10 N2 O5","O=C(O)C1=NOC(CC(C(=O)O)N)C1;N[CH](C[CH]1CC(=NO1)C(O)=O)C(O)=O;C1C(ON=C1C(=O)O)CC(C(=O)O)N","InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1","","1999-07-08","2011-06-04","(5S)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydroisoxazole-3-carboxylic acid",""],["WB7","1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide","C27 H29 Cl N2 O4 S2","O=C(NCc1ccc(S(=O)(=O)C)cc1)c4sc5C2(CCN(CC2)Cc3ccccc3Cl)OCCc5c4;C[S](=O)(=O)c1ccc(CNC(=O)c2sc3c(CCOC34CCN(CC4)Cc5ccccc5Cl)c2)cc1;CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3","InChI=1S/C27H29ClN2O4S2/c1-36(32,33)22-8-6-19(7-9-22)17-29-26(31)24-16-20-10-15-34-27(25(20)35-24)11-13-30(14-12-27)18-21-4-2-3-5-23(21)28/h2-9,16H,10-15,17-18H2,1H3,(H,29,31)","","2020-10-07","2021-04-16","1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide","2021-04-21"],["DA4","3-ethynylbenzenesulfonamide","C8 H7 N O2 S","N[S](=O)(=O)c1cccc(c1)C#C;C#Cc1cccc(c1)S(=O)(=O)N","InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)","","2009-11-05","2011-06-04","3-ethynylbenzenesulfonamide",""],["WB8","(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one","C21 H22 N4 O S","O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5;c1cc2c(cc1C=C3C(=O)NC(=N3)NC45CC6CC(C4)CC(C6)C5)scn2","InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21-","","2023-05-10","2023-09-18","(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one","2023-05-17"],["WB9","4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium","C26 H41 Br N O4","COc1cc(Br)c(C[N+]2(CCOCC[CH]3CC[CH]4C[CH]3C4(C)C)CCOCC2)cc1OC;CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)Cc4cc(c(cc4Br)OC)OC)C","InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1/t19-,21+,22+/m0/s1","","2023-09-22","2023-12-01","4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium","2023-12-06"],["DA5","5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE","C18 H21 Br N4 O","O=C(NCCN(C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)[NH3+];CN(C)CCNC(=O)c1cccc2c([NH3+])c3cccc(Br)c3[nH+]c12;CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br","InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2","5BR20686","1999-07-08","2020-06-17","9-ammonio-4-bromo-5-{[2-(dimethylamino)ethyl]carbamoyl}acridinium",""],["DA6","6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE","C18 H21 Br N4 O","O=C(NCCN(C)C)c3cccc2c(c1ccc(Br)cc1[nH+]c23)[NH3+];CN(C)CCNC(=O)c1cccc2c([NH3+])c3ccc(Br)cc3[nH+]c12;CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br","InChI=1S/C18H19BrN4O/c1-23(2)9-8-21-18(24)14-5-3-4-13-16(20)12-7-6-11(19)10-15(12)22-17(13)14/h3-7,10H,8-9H2,1-2H3,(H2,20,22)(H,21,24)/p+2","6BR20686","1999-07-08","2020-06-17","9-ammonio-3-bromo-5-{[2-(dimethylamino)ethyl]carbamoyl}acridinium",""],["WBA","N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide","C29 H26 F N5 O3 S","c5ccc(c(C(NCCCCC(c1nc(cn1)c3ccc2ccccc2c3)NC(c4cncs4)=O)=O)c5O)F;Oc1cccc(F)c1C(=O)NCCCC[CH](NC(=O)c2scnc2)c3[nH]c(cn3)c4ccc5ccccc5c4;c1ccc2cc(ccc2c1)c3cnc([nH]3)C(CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5","InChI=1S/C29H26FN5O3S/c30-21-8-5-10-24(36)26(21)29(38)32-13-4-3-9-22(35-28(37)25-16-31-17-39-25)27-33-15-23(34-27)20-12-11-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-12,14-17,22,36H,3-4,9,13H2,(H,32,38)(H,33,34)(H,35,37)/t22-/m0/s1","","2020-10-07","2020-12-25","N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide","2020-12-30"],["WBB","N-methoxy-2-(2-methylphenyl)acetamide","C10 H13 N O2","O=C(Cc1ccccc1C)NOC;CONC(=O)Cc1ccccc1C;Cc1ccccc1CC(=O)NOC","InChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11-13-2/h3-6H,7H2,1-2H3,(H,11,12)","","2022-09-02","2022-10-28","N-methoxy-2-(2-methylphenyl)acetamide","2022-11-02"],["DA7","5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE","C18 H19 F N4 O","O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F;CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12;CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F","InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)","","1999-12-13","2011-06-04","9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide",""],["WBD","2,5-dichloro-1H-benzimidazole","C7 H4 Cl2 N2","c21c(nc(Cl)n1)ccc(c2)Cl;Clc1[nH]c2ccc(Cl)cc2n1;c1cc2c(cc1Cl)nc([nH]2)Cl","InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)","","2020-10-07","2020-12-25","2,5-dichloro-1H-benzimidazole","2020-12-30"],["DA8","octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside","C20 H38 O9","O(CCCCCCCC)C2OC(C(O)CC2OC1OC(C)C(O)C(O)C1O)CO;CCCCCCCCO[CH]1O[CH](CO)[CH](O)C[CH]1O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O;CCCCCCCCOC1C(CC(C(O1)CO)O)OC2C(C(C(C(O2)C)O)O)O","InChI=1S/C20H38O9/c1-3-4-5-6-7-8-9-26-19-14(10-13(22)15(11-21)29-19)28-20-18(25)17(24)16(23)12(2)27-20/h12-25H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18-,19+,20-/m0/s1","Alpha-L-Fucp-(1,2)-Beta-D-3-deoxy-Galp-O(CH2)7CH3","2008-01-07","2021-03-13","octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside",""],["DA9","2-azido-N-(2-sulfanylethyl)ethanamide","C4 H8 N4 O S","SCCNC(=O)CN=[N+]=[N-];C(CS)NC(=O)CN=[N+]=[N-]","InChI=1S/C4H8N4OS/c5-8-7-3-4(9)6-1-2-10/h10H,1-3H2,(H,6,9)","","2009-11-05","2011-06-04","2-azido-N-(2-sulfanylethyl)ethanamide",""],["WBE","2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide","C34 H37 Cl2 F N10 O3","N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCNc1nnc(N)[NH]1;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCCCNc3[nH]c(N)nn3)Cc4ccc(F)cc4;c1ccc(c(c1)CC(C(=O)NC(Cc2ccc(cc2Cl)Cl)C(=O)NC(Cc3ccc(cc3)F)CC(=O)NCCCNc4[nH]c(nn4)N)N)C#N","InChI=1S/C34H37Cl2FN10O3/c35-24-9-8-22(27(36)17-24)16-29(44-31(49)28(39)15-21-4-1-2-5-23(21)19-38)32(50)43-26(14-20-6-10-25(37)11-7-20)18-30(48)41-12-3-13-42-34-45-33(40)46-47-34/h1-2,4-11,17,26,28-29H,3,12-16,18,39H2,(H,41,48)(H,43,50)(H,44,49)(H4,40,42,45,46,47)/t26-,28+,29+/m0/s1","","2023-09-29","2024-12-27","2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide","2025-01-01"],["DAA","8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE","C10 H19 Al F3 N2 O4","F[Al-](F)(F)OC(=O)NC(C(N)C)CCCCCC(=O)O;C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F;CC(C(CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N","InChI=1S/C10H20N2O4.Al.3FH/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14;;;;/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16);;3*1H/q;+3;;;/p-4/t7-,8+;;;;/m0..../s1","","1999-07-08","2011-06-04","{(7R,8S)-8-amino-7-[(carboxy-kappaO)amino]nonanoato}(trifluoro)aluminate(1-)",""],["WBF","2-[(2-fluorophenyl)sulfanyl]acetohydrazide","C8 H9 F N2 O S","NNC(=O)CSc1ccccc1F;NNC(=O)CSc1ccccc1F;c1ccc(c(c1)F)SCC(=O)NN","InChI=1S/C8H9FN2OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)","","2022-09-02","2022-10-28","2-[(2-fluorophenyl)sulfanyl]acetohydrazide","2022-11-02"],["DAB","2,4-DIAMINOBUTYRIC ACID","C4 H10 N2 O2","O=C(O)C(N)CCN;NCC[CH](N)C(O)=O;C(CN)C(C(=O)O)N","InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1","","1999-07-08","2025-03-24","(2S)-2,4-diaminobutanoic acid",""],["WBG","3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one","C30 H27 N5 O2","c1cnc(cc1)NC5=C(C(n3c(c(c(c2ccccc2)n3)C4=CCCCC4)N5)=O)c6ccc(cc6)OC;COc1ccc(cc1)C2=C(Nc3ccccn3)Nc4n(nc(c5ccccc5)c4C6=CCCCC6)C2=O;COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6","InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,33H,2,4-5,11H2,1H3,(H,31,32)","","2020-10-07","2021-04-16","3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one","2021-04-21"],["WBI","N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide","C22 H22 N4 O2","O=C2NC=C(c1ccncc1)C=C2NC(=O)c3ccc(cc3)N4CCCCC4;O=C1NC=C(C=C1NC(=O)c2ccc(cc2)N3CCCCC3)c4ccncc4;c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4","InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)","","2014-03-25","2015-04-03","N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide","2015-04-08"],["DAC","2-DECENOYL N-ACETYL CYSTEAMINE","C14 H25 N O2 S","O=C(SCCNC(=O)C)C=C/CCCCCCC;CCCCCCCC=CC(=O)SCCNC(C)=O;CCCCCCCC=CC(=O)SCCNC(=O)C","InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-","","1999-07-08","2024-09-27","S-[2-(acetylamino)ethyl] (2Z)-dec-2-enethioate",""],["WBJ","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid","C12 H15 N2 O7 P","Cc1c(c(C/N=C(/C(O)=O)C=C)c(COP(O)(O)=O)cn1)O;Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=C)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=C)C(=O)O)O","InChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/b14-10+","","2020-10-08","2021-06-18","(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid","2021-06-23"],["DAD","2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O11 P3","Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N","InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1","","1999-07-08","2011-06-04","[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",""],["WBK","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[5-(dimethylamino)pentyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","C36 H43 Cl2 F N6 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCCN(C)C;CN(C)CCCCCNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;CN(C)CCCCCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C36H43Cl2FN6O3/c1-45(2)17-7-3-6-16-42-34(46)22-30(18-24-10-14-29(39)15-11-24)43-36(48)33(20-26-12-13-28(37)21-31(26)38)44-35(47)32(41)19-25-8-4-5-9-27(25)23-40/h4-5,8-15,21,30,32-33H,3,6-7,16-20,22,41H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)/t30-,32+,33+/m0/s1","","2023-09-29","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[5-(dimethylamino)pentyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","2025-01-01"],["DAE","O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE","C8 H10 Be F3 N3 O11 P2","O[P](=O)(OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F;[Be-](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F","InChI=1S/C8H11N3O11P2.Be.3FH/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-21-24(19,20)22-23(16,17)18;;;;/h1-2,5,9H,3-4H2,(H,19,20)(H2,16,17,18);;3*1H/q;+3;;;/p-4","","1999-09-22","2011-06-04","[[2-[(2,4-dinitrophenyl)amino]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium",""],["WBL","propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate","C8 H13 N3 O2 S2","Nc1nnc(SC(C)C(=O)OCCC)s1;CCCOC(=O)[CH](C)Sc1sc(N)nn1;CCCOC(=O)C(C)Sc1nnc(s1)N","InChI=1S/C8H13N3O2S2/c1-3-4-13-6(12)5(2)14-8-11-10-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,10)/t5-/m0/s1","","2022-09-02","2022-10-28","propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate","2022-11-02"],["DAF","4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose","C13 H17 N O8","O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O;O[CH]1OC(=C)[CH](N[CH]2C=C(C=O)C(=O)[CH](O)[CH]2O)[CH](O)[CH]1O;C=C1C(C(C(C(O1)O)O)O)NC2C=C(C(=O)C(C2O)O)C=O","InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1","4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose;\n4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-D-xylo-hex-5-enose;\n4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-xylo-hex-5-enose","1999-07-08","2020-07-17","4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose",""],["WBM","2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one","C21 H16 N6 O","c1cnnc1NC5=CC(n3c(c(c(c2ccccc2)n3)c4ccccc4)N5)=O;O=C1C=C(Nc2cc[nH]n2)Nc3n1nc(c4ccccc4)c3c5ccccc5;c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5","InChI=1S/C21H16N6O/c28-18-13-17(23-16-11-12-22-25-16)24-21-19(14-7-3-1-4-8-14)20(26-27(18)21)15-9-5-2-6-10-15/h1-13,24H,(H2,22,23,25)","","2020-10-09","2021-04-16","2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one","2021-04-21"],["DAG","4-amino-4,6-dideoxy-beta-D-glucopyranose","C6 H13 N O4","OC1C(N)C(OC(O)C1O)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N;CC1C(C(C(C(O1)O)O)O)N","InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1","4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE; 4-amino-4,6-dideoxy-beta-D-glucose; 4-amino-4,6-dideoxy-D-glucose;\n4-amino-4,6-dideoxy-glucose","1999-07-08","2020-07-17","4-amino-4,6-dideoxy-beta-D-glucopyranose",""],["WBN","(3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide","C22 H22 N4 O3 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN(C3=O)c4ccccn4)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN(C3=O)c4ccccn4)O","InChI=1S/C22H22N4O3S/c1-14-20(30-13-25-14)16-7-5-15(6-8-16)11-24-21(28)18-10-17(27)12-26(22(18)29)19-4-2-3-9-23-19/h2-9,13,17-18,27H,10-12H2,1H3,(H,24,28)/t17-,18-/m1/s1","","2023-05-10","2023-05-26","(3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide","2023-05-31"],["DAH","3,4-DIHYDROXYPHENYLALANINE","C9 H11 N O4","Oc1ccc(CC(N)C(=O)O)cc1O;N[CH](Cc1ccc(O)c(O)c1)C(O)=O;c1cc(c(cc1CC(C(=O)O)N)O)O","InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1","L-DOPA","1999-07-08","2025-09-09","3-hydroxy-L-tyrosine",""],["DAI","(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE","C24 H25 N O3","O=C1N(C(=O)C5C1C4c2c(cccc2)C5(c3ccccc34)CO)CCCCC;CCCCCN1C(=O)[CH]2C3c4ccccc4C(CO)([CH]2C1=O)c5ccccc35;CCCCCN1C(=O)C2C3c4ccccc4C(C2C1=O)(c5c3cccc5)CO","InChI=1S/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3/t19-,20-,21+,24+/m0/s1","(11S,12S)-9-HYDROXYMETHYL-11,12-(2-PENTYL-1,3-DIOXO-2-AZAPROPANO)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE","2005-02-11","2020-06-17","(15S,19S)-1-(hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)",""],["WBO","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","C35 H41 Cl2 F N6 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C;CN(C)CCCCNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;CN(C)CCCCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C35H41Cl2FN6O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(38)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(40)18-24-7-3-4-8-26(24)22-39/h3-4,7-14,20,29,31-32H,5-6,15-19,21,40H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1","","2023-09-29","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","2025-01-01"],["DAJ","DECARBAMOYL-2,7-DIAMINOMITOSENE","C13 H16 N3 O2","O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(C3)[NH3+])C;CC1=C(N)C(=O)c2c(C)c3C[CH]([NH3+])Cn3c2C1=O;Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)CC(C2)[NH3+]","InChI=1S/C13H15N3O2/c1-5-8-3-7(14)4-16(8)11-9(5)13(18)10(15)6(2)12(11)17/h7H,3-4,14-15H2,1-2H3/p+1/t7-/m1/s1","","2001-08-01","2011-06-04","(2R)-7-amino-6,9-dimethyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-aminium",""],["WBP","3-(2-hydroxyphenyl)benzene-1,2-diol","C12 H10 O3","Oc1cccc(c1O)c2ccccc2O;c1ccc(c(c1)c2cccc(c2O)O)O","InChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H","","2019-12-25","2021-01-22","3-(2-hydroxyphenyl)benzene-1,2-diol","2021-01-27"],["DAK","4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA","C32 H47 N8 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc4ccc(N(C)C)cc4;CN(C)c1ccc(C=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)cc1;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O","InChI=1S/C32H47N8O17P3S/c1-32(2,27(44)30(45)35-12-11-22(41)34-13-14-61-23(42)10-7-19-5-8-20(9-6-19)39(3)4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)40-18-38-24-28(33)36-17-37-29(24)40/h5-10,17-18,21,25-27,31,43-44H,11-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b10-7+/t21-,25-,26-,27+,31-/m1/s1","","2000-01-14","2011-06-04","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-[4-(dimethylamino)phenyl]prop-2-enethioate (non-preferred name)",""],["WBQ","6-(2-methoxyanilino)-6-oxohexanoic acid","C13 H17 N O4","COc1ccccc1NC(=O)CCCCC(=O)O;COc1ccccc1NC(=O)CCCCC(O)=O;COc1ccccc1NC(=O)CCCCC(=O)O","InChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)","","2022-09-02","2022-10-28","6-(2-methoxyanilino)-6-oxohexanoic acid","2022-11-02"],["DAL","D-ALANINE","C3 H7 N O2","O=C(O)C(N)C;C[CH](N)C(O)=O;CC(C(=O)O)N","InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1","","1999-07-08","2024-09-27","D-alanine",""],["WBR","(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine","C24 H25 N5","CC(C)(C)c1nc(CC)c(c2ccccc2)c(c1c1nnn[NH]1)c1ccccc1;CCc1nc(c(c2[nH]nnn2)c(c3ccccc3)c1c4ccccc4)C(C)(C)C;CCc1c(c(c(c(n1)C(C)(C)C)c2[nH]nnn2)c3ccccc3)c4ccccc4","InChI=1S/C24H25N5/c1-5-18-19(16-12-8-6-9-13-16)20(17-14-10-7-11-15-17)21(23-26-28-29-27-23)22(25-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,26,27,28,29)","","2023-05-10","2023-06-09","(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine","2023-06-14"],["DAM","N-METHYL-ALPHA-BETA-DEHYDROALANINE","C4 H7 N O2","O=C(O)C(=C)/NC;CNC(=C)C(O)=O;CNC(=C)C(=O)O","InChI=1S/C4H7NO2/c1-3(5-2)4(6)7/h5H,1H2,2H3,(H,6,7)","","1999-07-08","2024-09-27","2-(methylamino)prop-2-enoic acid",""],["WBS","6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one","C27 H20 N6 O2","c6c(C=5C(n2c(c(c(c1ccccc1)n2)c3ccccc3)NC=5Nc4nncc4)=O)ccc(c6)O;Oc1ccc(cc1)C2=C(Nc3cc[nH]n3)Nc4n(nc(c5ccccc5)c4c6ccccc6)C2=O;c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6","InChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,30,34H,(H2,28,29,31)","","2020-10-09","2021-04-16","6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one","2021-04-21"],["DAN","2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID","C11 H17 N O8","O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1;CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O;CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)O","InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1","Neu5Ac2en","1999-07-08","2020-07-17","5-(acetylamino)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic acid",""],["WBT","3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE","C26 H25 F N4 O2","O=C(Nc2ccc1ccn(c1c2)CCc3ccncc3)c4cc(cc(F)c4)N5CCOCC5;Fc1cc(cc(c1)C(=O)Nc2ccc3ccn(CCc4ccncc4)c3c2)N5CCOCC5;c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5","InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)","","2004-11-05","2011-06-04","3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide",""],["WBU","5-AMINO-1H-PYRIMIDINE-2,4-DIONE","C4 H5 N3 O2","O=C1C(N)=CNC(=O)N1;NC1=CNC(=O)NC1=O;C1=C(C(=O)NC(=O)N1)N","InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)","","2004-11-05","2011-06-04","5-aminopyrimidine-2,4(1H,3H)-dione",""],["DAO","LAURIC ACID","C12 H24 O2","O=C(O)CCCCCCCCCCC;CCCCCCCCCCCC(O)=O;CCCCCCCCCCCC(=O)O","InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)","","1999-07-08","2026-02-13","dodecanoic acid",""],["WBV","(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid","C27 H31 Cl N4 O3","Cc3nc4n(Cc1cnn(C)c1)c(C)c(C)c4c(c2ccc(cc2)Cl)c3C(C(O)=O)OC(C)(C)C;Cn1cc(Cn2c(C)c(C)c3c2nc(C)c([CH](OC(C)(C)C)C(O)=O)c3c4ccc(Cl)cc4)cn1;Cc1c(n(c2c1c(c(c(n2)C)C(C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C","InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1","Pirmitegravir","2020-10-12","2023-01-25","(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid","2021-09-22"],["DAP","6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE","C16 H15 N5","[N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3;NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)C(N)=N;c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N","InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)","","1999-07-08","2011-06-04","2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide",""],["WBW","(6S,9aS)-8-(anthracen-9-ylmethyl)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide","C31 H35 F3 N4 O3","CC[CH](C)[CH]1N2[CH](CN(Cc3c4ccccc4cc5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F;CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC(F)(F)F)Cc3c4ccccc4cc5c3cccc5","InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-25-23-11-6-4-9-21(23)17-22-10-5-7-12-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1","","2023-02-10","2024-10-18","(6~{S},9~{a}~{S})-8-(anthracen-9-ylmethyl)-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide","2024-10-23"],["DAQ","O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE","C9 H12 Be F3 N3 O11 P2","O[P](=O)(OCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F;[Be](OP(=O)(O)OP(=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F","InChI=1S/C9H13N3O11P2.Be.3FH/c13-11(14)7-2-3-8(9(6-7)12(15)16)10-4-1-5-22-25(20,21)23-24(17,18)19;;;;/h2-3,6,10H,1,4-5H2,(H,20,21)(H2,17,18,19);;3*1H/q;+4;;;/p-4","","1999-09-22","2011-06-04","[[3-[(2,4-dinitrophenyl)amino]propoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium",""],["DAR","D-ARGININE","C6 H15 N4 O2","O=C(O)C(N)CCCNC(=[NH2+])N;N[CH](CCCNC(N)=[NH2+])C(O)=O;C(CC(C(=O)O)N)CNC(=[NH2+])N","InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1","","1999-07-08","2023-11-03","amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium",""],["WBX","methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate","C10 H15 N3 O2 S","O=C(OC)CN1CCN(CC1)c1nccs1;COC(=O)CN1CCN(CC1)c2sccn2;COC(=O)CN1CCN(CC1)c2nccs2","InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3","","2022-09-02","2022-10-28","methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate","2022-11-02"],["DAS","D-ASPARTIC ACID","C4 H7 N O4","O=C(O)CC(N)C(=O)O;N[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)O","InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1","","1999-07-08","2023-11-03","D-aspartic acid",""],["WBY","6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione","C6 H5 N3 O3 S","Cc2nc1c(C(N(C(N1)=O)O)=O)s2;Cc1sc2C(=O)N(O)C(=O)Nc2n1;Cc1nc2c(s1)C(=O)N(C(=O)N2)O","InChI=1S/C6H5N3O3S/c1-2-7-4-3(13-2)5(10)9(12)6(11)8-4/h12H,1H3,(H,8,11)","","2020-10-12","2021-07-09","6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione","2021-07-14"],["WC0","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[2-(dimethylamino)ethyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","C33 H37 Cl2 F N6 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCN(C)C;CN(C)CCNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;CN(C)CCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C33H37Cl2FN6O3/c1-42(2)14-13-39-31(43)19-27(15-21-7-11-26(36)12-8-21)40-33(45)30(17-23-9-10-25(34)18-28(23)35)41-32(44)29(38)16-22-5-3-4-6-24(22)20-37/h3-12,18,27,29-30H,13-17,19,38H2,1-2H3,(H,39,43)(H,40,45)(H,41,44)/t27-,29+,30+/m0/s1","","2023-09-29","2024-12-20","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[2-(dimethylamino)ethyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","2024-12-25"],["DAT","2'-DEOXYADENOSINE-5'-DIPHOSPHATE","C10 H15 N5 O9 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1","DADP","2000-11-07","2020-06-17","2'-deoxyadenosine 5'-(trihydrogen diphosphate)",""],["DAU","2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE","C16 H26 N2 O16 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O)C;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1","","2000-11-16","2012-05-16","[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",""],["WC1","(2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)","C21 H27 N O6 P2","O=P(O)(O)C(P(=O)(O)O)Cc2c1cc(ccc1nc2C(C)C(C)C)c3ccccc3;CC(C)[CH](C)c1[nH]c2ccc(cc2c1CC([P](O)(O)=O)[P](O)(O)=O)c3ccccc3;CC(C)C(C)c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O","InChI=1S/C21H27NO6P2/c1-13(2)14(3)21-18(12-20(29(23,24)25)30(26,27)28)17-11-16(9-10-19(17)22-21)15-7-5-4-6-8-15/h4-11,13-14,20,22H,12H2,1-3H3,(H2,23,24,25)(H2,26,27,28)/t14-/m0/s1","","2014-08-05","2015-02-20","(2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)","2015-02-25"],["DAV","DELTA-AMINO VALERIC ACID","C5 H12 N O2","O=C(O)CCCC[NH3+];[NH3+]CCCCC(O)=O;C(CC[NH3+])CC(=O)O","InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1","","1999-09-15","2024-09-27","4-carboxybutan-1-aminium",""],["WC2","6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine","C8 H12 Cl N3 O","Clc1cc(NCCCOC)ncn1;COCCCNc1cc(Cl)ncn1;COCCCNc1cc(ncn1)Cl","InChI=1S/C8H12ClN3O/c1-13-4-2-3-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)","","2022-09-02","2022-10-28","6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine","2022-11-02"],["DAW","N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide","C21 H24 N6 O4 S2","O=C(NCCCS)Cn1nncc1C(c2ccccc2)NC(=O)c3ccc(cc3)S(=O)(=O)N;N[S](=O)(=O)c1ccc(cc1)C(=O)N[CH](c2ccccc2)c3cnnn3CC(=O)NCCCS;c1ccc(cc1)C(c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C21H24N6O4S2/c22-33(30,31)17-9-7-16(8-10-17)21(29)25-20(15-5-2-1-3-6-15)18-13-24-26-27(18)14-19(28)23-11-4-12-32/h1-3,5-10,13,20,32H,4,11-12,14H2,(H,23,28)(H,25,29)(H2,22,30,31)/t20-/m0/s1","","2009-11-18","2024-09-27","N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide",""],["WC3","2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide","C26 H28 N6 O3","COc1ccc(cc1)c2cc(OCC(=O)N(C)Cc3cccnc3C)nc(n2)n4nc(C)cc4C;Cc1cc(n(n1)c2nc(cc(n2)OCC(=O)N(C)Cc3cccnc3C)c4ccc(cc4)OC)C","InChI=1S/C26H28N6O3/c1-17-13-18(2)32(30-17)26-28-23(20-8-10-22(34-5)11-9-20)14-24(29-26)35-16-25(33)31(4)15-21-7-6-12-27-19(21)3/h6-14H,15-16H2,1-5H3","","2023-05-10","2024-08-30","2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-~{N}-methyl-~{N}-[(2-methylpyridin-3-yl)methyl]ethanamide","2024-09-04"],["WC4","(1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol","C16 H19 O8 P","COc3c(C1C(C(C(COP(O)(=O)O)O1)O)O)cc2c(cccc2)c3;COc1cc2ccccc2cc1[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O;COc1cc2ccccc2cc1C3C(C(C(O3)COP(=O)(O)O)O)O","InChI=1S/C16H19O8P/c1-22-12-7-10-5-3-2-4-9(10)6-11(12)16-15(18)14(17)13(24-16)8-23-25(19,20)21/h2-7,13-18H,8H2,1H3,(H2,19,20,21)/t13-,14-,15-,16+/m1/s1","","2020-10-12","2021-06-18","(1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol","2021-06-23"],["DAX","5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE","C18 H21 Br N4 O","O=C(NCC[NH+](C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)N;C[NH+](C)CCNC(=O)c1cccc2c(N)c3cccc(Br)c3[nH+]c12;C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br","InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2","","2002-07-22","2011-06-04","9-amino-4-bromo-5-{[2-(dimethylammonio)ethyl]carbamoyl}acridinium",""],["DAY","1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone","C30 H36 N2 O4","O=C(CO)C4(O)C(C)CC5C6C=C(C3=Cc1c(cnn1c2ccccc2)CC3(C6C(O)CC45C)C)C;C[CH]1C[CH]2[CH]3C=C(C)C4=Cc5n(ncc5C[C]4(C)[CH]3[CH](O)C[C]2(C)[C]1(O)C(=O)CO)c6ccccc6;CC1CC2C3C=C(C4=Cc5c(cnn5c6ccccc6)CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)C","InChI=1S/C30H36N2O4/c1-17-10-21-23-11-18(2)30(36,26(35)16-33)29(23,4)14-25(34)27(21)28(3)13-19-15-31-32(24(19)12-22(17)28)20-8-6-5-7-9-20/h5-10,12,15,18,21,23,25,27,33-34,36H,11,13-14,16H2,1-4H3/t18-,21+,23+,25+,27-,28+,29+,30+/m1/s1","Deacylcortivazol; 11beta,17,21-Trihydroxy-6,16alpha-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one; 2'H-Pregna-2,4,6-trieno(3,2-c)pyrazol-20-one; 11,17,21-trihydroxy-6,16-dimethyl-2'-phenyl-(11beta,16alpha)-(9CI); 6,16A-DIMETHYLPREGNA-4,6-DIENE-11B,17A,21-TRIOL-20-ONE-2'-PHENYL-(3,2-C)- PYRAZO","2008-01-02","2021-03-13","1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone",""],["WC5","PROTOPORPHYRIN(CF3)2 CONTAINING FE","C32 H26 F6 Fe N4 O4","CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C(F)(F)F)C(=C6C(F)(F)F)C)C(=C(CCC(O)=O)C5=C2)C;Cc1c2n3c(c1C(F)(F)F)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C(F)(F)F)CCC(=O)O)C","InChI=1S/C32H28F6N4O4.Fe/c1-13-17(5-7-27(43)44)23-12-24-18(6-8-28(45)46)14(2)20(40-24)11-26-30(32(36,37)38)16(4)22(42-26)9-21-15(3)29(31(33,34)35)25(41-21)10-19(13)39-23;/h9-12H,5-8H2,1-4H3,(H4,39,40,41,42,43,44,45,46);/q;+2/p-2/b19-10-,20-11-,21-9-,22-9-,23-12-,24-12-,25-10-,26-11-;","","2023-09-22","2024-06-07","","2024-06-12"],["WC6","1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one","C10 H8 F N3 O","O=C(Cn1cncn1)c1cccc(F)c1;Fc1cccc(c1)C(=O)Cn2cncn2;c1cc(cc(c1)F)C(=O)Cn2cncn2","InChI=1S/C10H8FN3O/c11-9-3-1-2-8(4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2","","2022-09-02","2022-10-28","1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one","2022-11-02"],["DAZ","diaminozinc","H4 N2 Zn","[Zn](N)N;N[Zn]N;N[Zn]N","InChI=1S/2H2N.Zn/h2*1H2;/q2*-1;+2","","2007-10-03","2011-06-04","zinc diazanide",""],["DB0","N-(DIBENZO[B,F]OXEPIN-10-YLMETHYL)-N-METHYL-N-PROP-2-YNYLAMINE","C19 H17 N O","C#CCN(C)CC1=Cc3c(Oc2c1cccc2)cccc3;CN(CC#C)CC1=Cc2ccccc2Oc3ccccc13;CN(CC#C)CC1=Cc2ccccc2Oc3c1cccc3","InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3","","2005-12-27","2011-06-04","N-(dibenzo[b,f]oxepin-10-ylmethyl)-N-methylprop-2-yn-1-amine",""],["WC7","6-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6H)-thione","C12 H14 N O6 P S2","C1=Cc3c(C(N1C2OC(C(C2)O)COP(=O)(O)O)=S)scc3;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=Cc3ccsc3C2=S;c1csc2c1C=CN(C2=S)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C12H14NO6PS2/c14-8-5-10(19-9(8)6-18-20(15,16)17)13-3-1-7-2-4-22-11(7)12(13)21/h1-4,8-10,14H,5-6H2,(H2,15,16,17)/t8-,9+,10+/m0/s1","","2020-10-12","2021-06-18","6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)thieno[2,3-c]pyridine-7(6H)-thione","2021-06-23"],["WC8","2-CN-benzoyl coenzyme A","C29 H39 N8 O17 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4C#N;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4C#N)O","InChI=1S/C29H39N8O17P3S/c1-29(2,23(40)26(41)33-8-7-19(38)32-9-10-58-28(42)17-6-4-3-5-16(17)11-30)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(31)34-14-35-25(20)37/h3-6,14-15,18,21-23,27,39-40H,7-10,12-13H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t18-,21-,22+,23+,27-/m1/s1","S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate","2023-05-10","2024-05-31","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate","2024-06-05"],["DB1","2,3-DIHYDROXYBENZAMIDE","C7 H7 N O3","O=C(c1cccc(O)c1O)N;NC(=O)c1cccc(O)c1O;c1cc(c(c(c1)O)O)C(=O)N","InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11)","TRENCAM-3,2-HOPO","2004-08-19","2020-06-17","2,3-dihydroxybenzamide",""],["DB3","(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide","C44 H83 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCC=C/C/C=C/CCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCC=CCC=CCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCC=CCC=CCCCCC)O)O","InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11+,18-17-/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1","","2010-12-06","2011-06-04","(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide",""],["WC9","(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)","C25 H42 N2 O6 S","CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCCC=CC1C)C(O)C(O)C2O;CC(C)C[CH]1CCO[CH]2[CH](CN[CH]2C(=O)N[CH]3[CH](C)C=CCCS[CH]4O[CH]3[CH](O)[CH](O)[CH]4O)C1;CC1C=CCCSC2C(C(C(C(C1NC(=O)C3C4C(CC(CCO4)CC(C)C)CN3)O2)O)O)O","InChI=1S/C25H42N2O6S/c1-13(2)10-15-7-8-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-9-34-25-21(30)19(28)20(29)23(17)33-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25-/m1/s1","","2023-09-29","2024-02-16","(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)","2024-02-21"],["WCA","p-coumaroyl-CoA","C30 H42 N7 O18 P3 S","c12n(cnc1c(ncn2)N)C4OC(COP(OP(OCC(C(C(NCCC(NCCSC(C=Cc3ccc(cc3)O)=O)=O)=O)O)(C)C)(O)=O)(=O)O)C(OP(O)(O)=O)C4O;CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(O)cc4;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)O)O","InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25+,29-/m1/s1","","2015-07-31","2015-08-07","S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)prop-2-enethioate (non-preferred name)","2015-08-12"],["DB4","(2R)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate","C17 H32 O16 P2","O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCC;CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCC;CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCC","InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)16(13(21)15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13+,14-,15-,16+,17+/m1/s1","","2013-10-03","2014-03-14","(2R)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate","2014-03-19"],["WCB","1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one","C11 H15 N O2 S","O=C(Cc1ccsc1)N1CC(C)OCC1;C[CH]1CN(CCO1)C(=O)Cc2cscc2;CC1CN(CCO1)C(=O)Cc2ccsc2","InChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3/t9-/m0/s1","","2022-09-02","2022-10-28","1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one","2022-11-02"],["DB5","[(4~{S})-4,5,6,7,8,9-hexahydro-1~{H}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate","C9 H13 N3 O3","OC(=O)O[CH]1CCCCCc2[nH]nnc12;C1CCc2c(nn[nH]2)C(CC1)OC(=O)O","InChI=1S/C9H13N3O3/c13-9(14)15-7-5-3-1-2-4-6-8(7)11-12-10-6/h7H,1-5H2,(H,13,14)(H,10,11,12)/t7-/m0/s1","","2018-01-11","2024-09-27","[(4~{S})-4,5,6,7,8,9-hexahydro-1~{H}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate","2018-09-12"],["WCC","FE(3)-NI(1)-S(4) CLUSTER","Fe3 Ni S4","S1[Fe]S[Fe]1.S2[Fe]S[Ni]2;[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45","InChI=1S/3Fe.Ni.4S","C CLUSTER CUBANE","2001-08-22","2023-09-23","",""],["DB6","(11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide","C44 H83 N O9","O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCC/C=C/C/C=C/CCCCC;CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCC=CCC=CCCCCC;CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCC=CCC=CCCCCC)O)O","InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11+,18-17+/t36-,37+,38+,40-,41+,42-,43+,44-/m0/s1","","2010-12-06","2011-06-04","(11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide",""],["WCD","(2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","C18 H29 N3 O7 S","C(O)C(C)(C)C(O)C(NCCC(NCCSC1C(N2C(CC2C1)=O)C(O)=O)=O)=O;CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCS[CH]1C[CH]2CC(=O)N2[CH]1C(O)=O;CC(C)(CO)C(C(=O)NCCC(=O)NCCSC1CC2CC(=O)N2C1C(=O)O)O","InChI=1S/C18H29N3O7S/c1-18(2,9-22)15(25)16(26)20-4-3-12(23)19-5-6-29-11-7-10-8-13(24)21(10)14(11)17(27)28/h10-11,14-15,22,25H,3-9H2,1-2H3,(H,19,23)(H,20,26)(H,27,28)/t10-,11+,14-,15-/m0/s1","(2R)-pantetheinylated carbapenam","2020-10-12","2022-01-07","(2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","2022-01-12"],["DB7","dibutyl benzene-1,2-dicarboxylate","C16 H22 O4","O=C(OCCCC)c1ccccc1C(=O)OCCCC;CCCCOC(=O)c1ccccc1C(=O)OCCCC;CCCCOC(=O)c1ccccc1C(=O)OCCCC","InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3","Dibutyl phthalate","2012-08-02","2021-03-01","dibutyl benzene-1,2-dicarboxylate","2012-11-02"],["DB8","4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile","C26 H29 Cl2 N5 O3","Clc1c(OC)cc(c(Cl)c1)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34;COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl;CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC","InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)","Bosutinib","2011-07-18","2020-06-17","4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile",""],["WCE","3-CHLORO-BENZAMIDE","C7 H6 Cl N O","O=C(c1cc(Cl)ccc1)N;NC(=O)c1cccc(Cl)c1;c1cc(cc(c1)Cl)C(=O)N","InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)","","2015-01-27","2015-08-21","3-chlorobenzamide","2015-08-26"],["WCF","4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide","C27 H26 Cl F2 N3 O4","CNC(=O)c1cnc(OCCO)c(F)c1c2c(Cl)c(F)cc3O[C](Cc23)([CH]4CCCN4)c5ccccc5;CNC(=O)c1cnc(c(c1c2c3c(cc(c2Cl)F)OC(C3)(c4ccccc4)C5CCCN5)F)OCCO","InChI=1S/C27H26ClF2N3O4/c1-31-25(35)17-14-33-26(36-11-10-34)24(30)22(17)21-16-13-27(20-8-5-9-32-20,15-6-3-2-4-7-15)37-19(16)12-18(29)23(21)28/h2-4,6-7,12,14,20,32,34H,5,8-11,13H2,1H3,(H,31,35)/t20-,27-/m0/s1","","2023-05-11","2024-04-05","4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide","2024-04-10"],["DB9","2-{4'-[AMINO(IMINO)METHYL]BIPHENYL-3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE","C21 H18 N6","[N@H]=C(N)c1ccc(cc1)c4cccc(c3nc2ccc(cc2n3)C(=[N@H])N)c4;NC(=N)c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)C(N)=N;[H]N=C(c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)C(=N[H])N)N","InChI=1S/C21H18N6/c22-19(23)13-6-4-12(5-7-13)14-2-1-3-16(10-14)21-26-17-9-8-15(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)","","2006-10-23","2011-06-04","2-(4'-carbamimidoylbiphenyl-3-yl)-1H-benzimidazole-6-carboximidamide",""],["WCG","(1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol","C16 H21 O14 P3","COc2cc1ccccc1cc2C3C(C(C(COP(=O)(O)OP(O)(=O)OP(O)(O)=O)O3)O)O;COc1cc2ccccc2cc1[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;COc1cc2ccccc2cc1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C16H21O14P3/c1-26-12-7-10-5-3-2-4-9(10)6-11(12)16-15(18)14(17)13(28-16)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-7,13-18H,8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t13-,14-,15-,16+/m1/s1","","2020-10-13","2021-06-18","(1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol","2021-06-23"],["DBA","(2,6-DIMETHYL-PHENOXY)-ACETIC ACID","C10 H12 O3","O=C(O)COc1c(cccc1C)C;Cc1cccc(C)c1OCC(O)=O;Cc1cccc(c1OCC(=O)O)C","InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)","","1999-07-08","2011-06-04","(2,6-dimethylphenoxy)acetic acid",""],["DBB","D-ALPHA-AMINOBUTYRIC ACID","C4 H9 N O2","O=C(O)C(N)CC;CC[CH](N)C(O)=O;CCC(C(=O)O)N","InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1","","2008-10-17","2024-09-27","(2R)-2-aminobutanoic acid",""],["WCH","(2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide","C18 H20 N8 O4","CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N=Nc4ccccc4)nc23;CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3N)N=Nc4ccccc4)O)O","InChI=1S/C18H20N8O4/c1-2-20-16(29)13-11(27)12(28)17(30-13)26-8-21-10-14(19)22-18(23-15(10)26)25-24-9-6-4-3-5-7-9/h3-8,11-13,17,27-28H,2H2,1H3,(H,20,29)(H2,19,22,23)/b25-24+/t11-,12+,13-,17+/m0/s1","","2023-09-26","2024-01-12","(2~{S},3~{S},4~{R},5~{R})-5-[6-azanyl-2-[(~{E})-phenyldiazenyl]purin-9-yl]-~{N}-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide","2024-01-17"],["DBC","(4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL","C5 H10 O3 S2","SCC1OC(O)OC1CS;O[CH]1O[CH](CS)[CH](CS)O1;C(C1C(OC(O1)O)CS)S","InChI=1S/C5H10O3S2/c6-5-7-3(1-9)4(2-10)8-5/h3-6,9-10H,1-2H2/t3-,4-/m1/s1","","2007-06-21","2024-09-27","(4S,5S)-4,5-bis(sulfanylmethyl)-1,3-dioxolan-2-ol",""],["WCI","N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide","C11 H9 Cl2 N3 O","O=C(Nc1ccc(Cl)c(Cl)c1)Cn1cccn1;Clc1ccc(NC(=O)Cn2cccn2)cc1Cl;c1cnn(c1)CC(=O)Nc2ccc(c(c2)Cl)Cl","InChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)","","2022-09-02","2022-10-28","N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide","2022-11-02"],["DBD","7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID","C18 H14 N2 O9 S2","O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2COC4=NS(=O)(=O)c3ccccc34;OC(=O)C(=O)Nc1sc2[CH](COC3=N[S](=O)(=O)c4ccccc34)OCCc2c1C(O)=O;c1ccc2c(c1)C(=NS2(=O)=O)OCC3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3","InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1","","2002-03-26","2011-06-04","(7S)-2-[(carboxycarbonyl)amino]-7-{[(1,1-dioxido-1,2-benzisothiazol-3-yl)oxy]methyl}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid",""],["WCJ","N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide","C28 H26 F N7 O2","CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1;CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncnc(N)c3c2c4ccc(Oc5nccc(C)n5)c(F)c4;Cc1ccnc(n1)Oc2ccc(cc2F)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C)C)C)N","InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33)","","2023-05-11","2024-09-27","N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide","2023-06-07"],["WCK","(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine","C18 H20 N6 O S","Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1;Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2;Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4","InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)","","2023-09-29","2024-04-12","(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine","2024-04-17"],["DBE","bis(4-hydroxyphenyl)methanone","C13 H10 O3","O=C(c1ccc(O)cc1)c2ccc(O)cc2;Oc1ccc(cc1)C(=O)c2ccc(O)cc2;c1cc(ccc1C(=O)c2ccc(cc2)O)O","InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H","","2007-12-29","2011-06-04","bis(4-hydroxyphenyl)methanone",""],["WCM","(2S)-2-amino-3-(biphenyl-4-yl)-N-methyl-N-[(2S)-1-oxopropan-2-yl]propanamide (non-preferred name)","C19 H22 N2 O3","C(C(Cc2ccc(c1ccccc1)cc2)N)(N(C(C)C(O)=O)C)=O;C[CH](N(C)C(=O)[CH](N)Cc1ccc(cc1)c2ccccc2)C(O)=O;CC(C(=O)O)N(C)C(=O)C(Cc1ccc(cc1)c2ccccc2)N","InChI=1S/C19H22N2O3/c1-13(19(23)24)21(2)18(22)17(20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,23,24)/t13-,17-/m0/s1","","2020-10-13","2024-09-27","(2S)-2-{[(2S)-2-amino-3-(biphenyl-4-yl)propanoyl](methyl)amino}propanoic acid (non-preferred name)","2021-11-10"],["DBF","DIBENZOFURAN-4,6-DICARBOXYLIC ACID","C14 H8 O5","O=C(O)c3c2oc1c(cccc1c2ccc3)C(=O)O;OC(=O)c1cccc2c1oc3c(cccc23)C(O)=O;c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O","InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)","","2000-01-28","2011-06-04","dibenzo[b,d]furan-4,6-dicarboxylic acid",""],["WCN","(4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide","C22 H17 Cl N4 O3 S","COc1ccccc1c1ccncc1C(=O)Nc1nnc(OCc2ccc(Cl)cc2)s1;COc1ccccc1c2ccncc2C(=O)Nc3sc(OCc4ccc(Cl)cc4)nn3;COc1ccccc1c2ccncc2C(=O)Nc3nnc(s3)OCc4ccc(cc4)Cl","InChI=1S/C22H17ClN4O3S/c1-29-19-5-3-2-4-17(19)16-10-11-24-12-18(16)20(28)25-21-26-27-22(31-21)30-13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,25,26,28)","","2023-05-11","2024-08-23","(4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide","2024-08-28"],["DBG","3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER","C23 H27 N8 O13 P3","O=C(c1ccccc1)c2ccc(c(N)c2)NP(=O)(O)NP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(=O)Nc4ccc(cc4N)C(=O)c5ccccc5)[CH](O)[CH]3O;c1ccc(cc1)C(=O)c2ccc(c(c2)N)NP(=O)(NP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)O","InChI=1S/C23H27N8O13P3/c24-13-8-12(17(32)11-4-2-1-3-5-11)6-7-14(13)29-45(36,37)30-46(38,39)44-47(40,41)42-9-15-18(33)19(34)22(43-15)31-10-26-16-20(31)27-23(25)28-21(16)35/h1-8,10,15,18-19,22,33-34H,9,24H2,(H,40,41)(H3,25,27,28,35)(H4,29,30,36,37,38,39)/t15-,18-,19-,22-/m1/s1","DABP-GPPNHP","1999-07-08","2020-06-17","5'-O-[(R)-{[(S)-{[(S)-{[2-amino-4-(phenylcarbonyl)phenyl]amino}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine",""],["DBH","2,3-DIHYDROXY-BENZOIC ACID","C7 H6 O4","O=C(O)c1cccc(O)c1O;OC(=O)c1cccc(O)c1O;c1cc(c(c(c1)O)O)C(=O)O","InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)","","2002-03-20","2024-09-27","2,3-dihydroxybenzoic acid",""],["WCO","Co-substituted alpha-Keggin","Co O39 P W11","O=[W]123O[Co]456O[W]789(=O)O[W]%10%11(=O)(O1)O[W]%12%13(=O)(O2)O[W]%14%15%16(=O)O[W]%17(=O)(O4)(O3)O[W]%18%19(=O)(O[W]%20(=O)(O5)(O7)O[W]%21%22(=O)(O[W]%23(=O)(O%10)(O8)O[W](=O)(O%12)(O%14)(O%21)[O]%22%23[P](=[O]%11%13)([O]69%20)[O]%15%17%18)O%19)O%16;O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8","InChI=1S/Co.O4P.35O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2019-05-28","2019-09-13","","2019-09-18"],["DBI","PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER","C14 H19 N2 O7 P","O=P(O)(O)OC3C(OC(n2cnc1cc(c(cc12)C)C)C3O)CO;Cc1cc2ncn([CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O)c2cc1C;Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-12(18)13(11(5-17)22-14)23-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1","DIMETHYLBENZIMIDAZOLE-NUCLEOTIDE","2001-04-11","2020-06-17","5,6-dimethyl-1-(3-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole",""],["WCP","(4R)-3-fluoro-4-hydroxy-4-{[(1r,4R)-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one","C26 H26 F N5 O5","O=C5C=Cc7ncc(c6C(O)(CC21OCC(CC1)(CC2)NCc4nc3NC(=O)COc3cc4)CN5c67)F;O[C]1(CN2C(=O)C=Cc3ncc(F)c1c23)CC45CCC(CC4)(CO5)NCc6ccc7OCC(=O)Nc7n6;c1cc2c(nc1CNC34CCC(CC3)(OC4)CC5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2","InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24-,25-,26-/m0/s1","","2015-06-02","2015-06-12","(4R)-3-fluoro-4-hydroxy-4-{[(1r,4R)-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one","2015-06-17"],["DBJ","2,3-dihydro-1,4-benzodioxin-5-ylmethanol","C9 H10 O3","O1c2c(OCC1)cccc2CO;OCc1cccc2OCCOc12;c1cc(c2c(c1)OCCO2)CO","InChI=1S/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2","","2012-04-11","2013-01-25","2,3-dihydro-1,4-benzodioxin-5-ylmethanol","2013-01-25"],["WCQ","(3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one","C20 H24 N4 O4","CCc1nc(N)nc(N)c1OCCCOc2ccccc2C=C3CCOC3=O;CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C=C3CCOC3=O","InChI=1S/C20H24N4O4/c1-2-15-17(18(21)24-20(22)23-15)27-10-5-9-26-16-7-4-3-6-13(16)12-14-8-11-28-19(14)25/h3-4,6-7,12H,2,5,8-11H2,1H3,(H4,21,22,23,24)/b14-12+","","2023-09-28","2024-09-06","(3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one","2024-09-11"],["DBK","(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate","C34 H52 O10","O=C3OC2C1=C(C(OC(=O)C(=C/C)C)CC1C(OC(=O)C)(CC(OC(=O)CCCCCCCCCCC)C2(O)C3(O)C)C)C;CCCCCCCCCCCC(=O)O[CH]1C[C](C)(OC(C)=O)[CH]2C[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]13O)C;CCCCCCCCCCCC(=O)OC1CC(C2CC(C(=C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)C(=CC)C)(C)OC(=O)C","InChI=1S/C34H52O10/c1-8-10-11-12-13-14-15-16-17-18-27(36)42-26-20-32(6,44-23(5)35)24-19-25(41-30(37)21(3)9-2)22(4)28(24)29-34(26,40)33(7,39)31(38)43-29/h9,24-26,29,39-40H,8,10-20H2,1-7H3/b21-9-/t24-,25+,26-,29-,32-,33+,34+/m0/s1","","2010-06-08","2011-06-04","(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate",""],["WCR","[(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid","C13 H15 N3 O5","O=C(O)CN1C(=O)/C(NC1(O)CN)=C/c2ccc(O)cc2;NC[C]1(O)NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(N2)(CN)O)CC(=O)O)O","InChI=1S/C13H15N3O5/c14-7-13(21)15-10(12(20)16(13)6-11(18)19)5-8-1-3-9(17)4-2-8/h1-5,15,17,21H,6-7,14H2,(H,18,19)/b10-5-/t13-/m1/s1","","2011-07-18","2024-09-27","[(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid",""],["WCS","6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine","C22 H30 N6 O3 S","c1(ccc(cc1)OCCCN(C)C)c2nc(S(C)(=O)=O)nc(c2)NCCCn3cccn3;CN(C)CCCOc1ccc(cc1)c2cc(NCCCn3cccn3)nc(n2)[S](C)(=O)=O;CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3","InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)","","2020-10-14","2020-12-04","6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine","2020-12-09"],["DBM","9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-METHYLPURINE","C12 H16 N4 O4","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C;C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(C)ncnc23;Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C)O)O)O","InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8+,9-,10-,12-/m1/s1","","2003-04-04","2011-06-04","9-(6-deoxy-beta-D-allofuranosyl)-6-methyl-9H-purine",""],["WCT","3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide","C9 H11 F3 N2 O3","O=C(NCCC(O)C(F)(F)F)c1cc(C)no1;Cc1cc(on1)C(=O)NCC[CH](O)C(F)(F)F;Cc1cc(on1)C(=O)NCCC(C(F)(F)F)O","InChI=1S/C9H11F3N2O3/c1-5-4-6(17-14-5)8(16)13-3-2-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)/t7-/m0/s1","","2022-09-02","2022-10-28","3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide","2022-11-02"],["DBN","6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE","C23 H20 N6 S","n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6;C1CN=C(N1)c2ccc(cc2)c3sc(cc3)c4[nH]c5cc(ccc5n4)C6=NCCN6;c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6","InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29)","DB819","2005-10-06","2021-03-01","6-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole",""],["WCU","~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine","C13 H12 N2 O2","Nc1ccccc1Nc2ccc3OCOc3c2;c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3","InChI=1S/C13H12N2O2/c14-10-3-1-2-4-11(10)15-9-5-6-12-13(7-9)17-8-16-12/h1-7,15H,8,14H2","","2017-01-30","2017-10-20","~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine","2017-10-25"],["DBO","N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE","C33 H32 N2 O3","O=C(C1=Cc3c(Oc2c1cccc2)cccc3)NC(Cc4ccccc4)C(O)CNCc5cccc(c5)C;Cc1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5ccccc35)c1;Cc1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O","InChI=1S/C33H32N2O3/c1-23-10-9-13-25(18-23)21-34-22-30(36)29(19-24-11-3-2-4-12-24)35-33(37)28-20-26-14-5-7-16-31(26)38-32-17-8-6-15-27(28)32/h2-18,20,29-30,34,36H,19,21-22H2,1H3,(H,35,37)/t29-,30+/m0/s1","","2005-12-22","2011-06-04","N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide",""],["DBP","1,3-DIAMINOBENZYL PHENYLALANINE","C7 H10 N2","NCc1cc(N)ccc1;NCc1cccc(N)c1;c1cc(cc(c1)N)CN","InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2","","1999-07-08","2011-06-04","3-(aminomethyl)aniline",""],["WCV","cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone","C20 H21 N5 O","c1nc(NCC#C)nc(c1)Nc2cc3c(cc2)CCCN3C(C4CC4)=O;O=C(C1CC1)N2CCCc3ccc(Nc4ccnc(NCC#C)n4)cc23;C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4","InChI=1S/C20H21N5O/c1-2-10-21-20-22-11-9-18(24-20)23-16-8-7-14-4-3-12-25(17(14)13-16)19(26)15-5-6-15/h1,7-9,11,13,15H,3-6,10,12H2,(H2,21,22,23,24)","","2020-10-14","2020-12-04","cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone","2020-12-09"],["DBQ","DEBROMOHYMENIALDISINE","C11 H11 N5 O2","O=C1C(N=C(N)N1)=C3c2ccnc2C(=O)NCC3;NC1=NC(C(=O)N1)=C2CCNC(=O)c3[nH]ccc23;c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O","InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-","","2004-08-04","2011-06-04","(4Z)-4-(2-amino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one",""],["WCW","4-azanyl-1-phenyl-piperidine-4-carboxylic acid","C12 H16 N2 O2","NC1(CCN(CC1)c2ccccc2)C(O)=O;c1ccc(cc1)N2CCC(CC2)(C(=O)O)N","InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)","","2023-05-12","2024-05-03","4-azanyl-1-phenyl-piperidine-4-carboxylic acid","2024-05-08"],["WCX","4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE","C29 H29 F3 N4 O3","FC(F)(F)c1ccccc1C(Oc2c(C(=O)N)ccc(c2)n4c5ccc(OC3CCN(C)CC3)cc5nc4)C;C[CH](Oc1cc(ccc1C(N)=O)n2cnc3cc(OC4CCN(C)CC4)ccc23)c5ccccc5C(F)(F)F;CC(c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C","InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m1/s1","","2010-08-05","2011-06-04","4-{5-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide",""],["DBR","ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE","C27 H37 N3 O3 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCNC(=O)C35CC4CC(CC(C3)C4)C5;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCNC(=O)C34CC5CC(CC(C5)C3)C4;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4","InChI=1S/C27H37N3O3S/c1-30(2)24-9-5-8-23-22(24)7-6-10-25(23)34(32,33)29-12-4-3-11-28-26(31)27-16-19-13-20(17-27)15-21(14-19)18-27/h5-10,19-21,29H,3-4,11-18H2,1-2H3,(H,28,31)/t19-,20+,21-,27-","","2003-11-10","2011-06-04","(3S,5S,7S)-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["DBS","2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID","C10 H11 N O6","O=C(O)C(NC(=O)c1cccc(O)c1O)CO;OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O","InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1","2,3,-DIHYDROXYBENZOYLSERINE","2002-03-20","2021-03-13","N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine",""],["WCY","N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide","C21 H16 F6 N4 O S2","c3nc(C(Nc2ccc(NC(=S)NC(C)c1cc(cc(C(F)(F)F)c1)C(F)(F)F)cc2)=O)cs3;C[CH](NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c3cc(cc(c3)C(F)(F)F)C(F)(F)F;CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3","InChI=1S/C21H16F6N4OS2/c1-11(12-6-13(20(22,23)24)8-14(7-12)21(25,26)27)29-19(33)31-16-4-2-15(3-5-16)30-18(32)17-9-34-10-28-17/h2-11H,1H3,(H,30,32)(H2,29,31,33)/t11-/m0/s1","","2020-10-14","2021-03-12","N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide","2021-03-17"],["DBT","5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE-4,7-DIONE","C14 H17 N O3 S","O=C2c1scnc1C(=O)C(=C2O)CCCCCCC;CCCCCCCC1=C(O)C(=O)c2scnc2C1=O;CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O","InChI=1S/C14H17NO3S/c1-2-3-4-5-6-7-9-11(16)10-14(19-8-15-10)13(18)12(9)17/h8,17H,2-7H2,1H3","","2003-05-30","2011-06-04","5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione",""],["WCZ","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutan-2-yl]-D-phenylalaninamide","C37 H44 Cl2 F N7 O3","N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN1CCN(C)CC1;CN1CCN(CCCNC(=O)C[CH](Cc2ccc(F)cc2)NC(=O)[CH](Cc3ccc(Cl)cc3Cl)NC(=O)[CH](N)Cc4ccccc4C#N)CC1;CN1CCN(CC1)CCCNC(=O)CC(Cc2ccc(cc2)F)NC(=O)C(Cc3ccc(cc3Cl)Cl)NC(=O)C(Cc4ccccc4C#N)N","InChI=1S/C37H44Cl2FN7O3/c1-46-15-17-47(18-16-46)14-4-13-43-35(48)23-31(19-25-7-11-30(40)12-8-25)44-37(50)34(21-27-9-10-29(38)22-32(27)39)45-36(49)33(42)20-26-5-2-3-6-28(26)24-41/h2-3,5-12,22,31,33-34H,4,13-21,23,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)/t31-,33+,34+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutan-2-yl]-D-phenylalaninamide","2025-01-01"],["DBU","(2Z)-2-AMINOBUT-2-ENOIC ACID","C4 H7 N O2","O=C(O)C(=C/C)/N;CC=C(N)C(O)=O;CC=C(C(=O)O)N","InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-","Z-DEHYDROBUTYRINE","2004-03-16","2024-09-27","(2Z)-2-aminobut-2-enoic acid",""],["WD0","(3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide","C11 H16 N2 O2 S","COCCNC(=O)C1C=CC2NCSC2=C1;COCCNC(=O)[CH]1C=C[CH]2NCSC2=C1;COCCNC(=O)C1C=CC2C(=C1)SCN2","InChI=1S/C11H16N2O2S/c1-15-5-4-12-11(14)8-2-3-9-10(6-8)16-7-13-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,12,14)/t8-,9+/m1/s1","","2022-09-02","2022-10-28","(3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide","2022-11-02"],["WD1","2-({[(1S,3S)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol","C9 H18 F N O2","OC(O)CNCC1CC(CCC1)F;OC(O)CNC[CH]1CCC[CH](F)C1;C1CC(CC(C1)F)CNCC(O)O","InChI=1S/C9H18FNO2/c10-8-3-1-2-7(4-8)5-11-6-9(12)13/h7-9,11-13H,1-6H2/t7-,8-/m0/s1","","2020-10-14","2020-10-23","2-({[(1S,3S)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol","2020-10-28"],["DBV","15,16-DIHYDROBILIVERDIN","C33 H36 N4 O6","CC1=C(C=C)C(=O)N[CH]1CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C=C)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O;Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O","InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1","","1999-07-08","2024-09-27","3-[2-[(Z)-[3-(2-carboxyethyl)-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",""],["DBW","4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol","C18 H15 N O4","Oc1ccc2C=C3N(Cc2c1O)C=CC4=C3CC5=C(C4)OCO5;c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O","InChI=1S/C18H15NO4/c20-15-2-1-10-5-14-12-7-17-16(22-9-23-17)6-11(12)3-4-19(14)8-13(10)18(15)21/h1-5,20-21H,6-9H2","","2009-12-18","2011-06-04","",""],["WD2","1-[4-(trifluoromethyl)pyridin-2-yl]piperazine","C10 H12 F3 N3","FC(F)(F)c1ccnc(c1)N2CCNCC2;c1cnc(cc1C(F)(F)F)N2CCNCC2","InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2","","2023-05-12","2024-05-03","1-[4-(trifluoromethyl)pyridin-2-yl]piperazine","2024-05-08"],["WD3","3-[2-[[5-chloranyl-2-[(3-fluorophenyl)methylamino]phenyl]methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid","C25 H19 Cl F N3 O3","OC(=O)C=Cc1ccc2C(=O)NC(=Nc2c1)Cc3cc(Cl)ccc3NCc4cccc(F)c4;c1cc(cc(c1)F)CNc2ccc(cc2CC3=Nc4cc(ccc4C(=O)N3)C=CC(=O)O)Cl","InChI=1S/C25H19ClFN3O3/c26-18-6-8-21(28-14-16-2-1-3-19(27)10-16)17(12-18)13-23-29-22-11-15(5-9-24(31)32)4-7-20(22)25(33)30-23/h1-12,28H,13-14H2,(H,31,32)(H,29,30,33)/b9-5+","","2023-09-29","2024-09-27","3-[2-[[5-chloranyl-2-[(3-fluorophenyl)methylamino]phenyl]methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid","2024-10-02"],["DBX","2,5-dihydroxybenzenesulfonic acid","C6 H6 O5 S","O=S(=O)(O)c1cc(O)ccc1O;Oc1ccc(O)c(c1)[S](O)(=O)=O;c1cc(c(cc1O)S(=O)(=O)O)O","InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)","","2009-10-01","2011-06-04","2,5-dihydroxybenzenesulfonic acid",""],["DBY","3,5 DIBROMOTYROSINE","C9 H9 Br2 N O3","Brc1cc(cc(Br)c1O)CC(C(=O)O)N;N[CH](Cc1cc(Br)c(O)c(Br)c1)C(O)=O;c1c(cc(c(c1Br)O)Br)CC(C(=O)O)N","InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1","","1999-07-08","2024-09-27","3,5-dibromo-L-tyrosine",""],["WD4","1-cyclopropylimidazolidin-2-one","C6 H10 N2 O","O=C1NCCN1C1CC1;O=C1NCCN1C2CC2;C1CC1N2CCNC2=O","InChI=1S/C6H10N2O/c9-6-7-3-4-8(6)5-1-2-5/h5H,1-4H2,(H,7,9)","","2022-09-02","2022-10-28","1-cyclopropylimidazolidin-2-one","2022-11-02"],["WD5","4-(4-chlorophenyl)piperidin-4-ol","C11 H14 Cl N O","OC1(CCNCC1)c2ccc(Cl)cc2;c1cc(ccc1C2(CCNCC2)O)Cl","InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2","","2023-05-12","2024-05-03","4-(4-chlorophenyl)piperidin-4-ol","2024-05-08"],["DBZ","3-(BENZOYLAMINO)-L-ALANINE","C10 H12 N2 O3","O=C(NCC(C(=O)O)N)c1ccccc1;N[CH](CNC(=O)c1ccccc1)C(O)=O;c1ccc(cc1)C(=O)NCC(C(=O)O)N","InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1","","2004-03-14","2024-09-27","3-[(phenylcarbonyl)amino]-L-alanine",""],["DC","2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O7 P","O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2001-06-01","2025-06-10","2'-deoxy-5'-cytidylic acid",""],["WD6","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide","C32 H30 Cl2 F N5 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCC#C;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCC#C)Cc3ccc(F)cc3;C#CCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C32H30Cl2FN5O3/c1-2-13-38-30(41)18-26(14-20-7-11-25(35)12-8-20)39-32(43)29(16-22-9-10-24(33)17-27(22)34)40-31(42)28(37)15-21-5-3-4-6-23(21)19-36/h1,3-12,17,26,28-29H,13-16,18,37H2,(H,38,41)(H,39,43)(H,40,42)/t26-,28+,29+/m0/s1","","2023-10-02","2025-01-10","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide","2025-01-15"],["WD7","N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide","C11 H16 N6 O4 S2","c12C(N(C)C(=O)N(C)c1ncn2CCNC(NS(C)(=O)=O)=O)=S;CN1C(=O)N(C)c2ncn(CCNC(=O)N[S](C)(=O)=O)c2C1=S;CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C","InChI=1S/C11H16N6O4S2/c1-15-8-7(9(22)16(2)11(15)19)17(6-13-8)5-4-12-10(18)14-23(3,20)21/h6H,4-5H2,1-3H3,(H2,12,14,18)","","2020-10-15","2021-03-05","N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide","2021-03-10"],["DC0","N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine","C15 H24 N2 O2","O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1;CC(C)C[CH](N)CN[CH](Cc1ccccc1)C(O)=O;CC(C)CC(CNC(Cc1ccccc1)C(=O)O)N","InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1","","2010-10-09","2024-09-27","N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine",""],["DC1","5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE","C8 H12 O2","O=C1CC(=O)CC(C)(C)C1;CC1(C)CC(=O)CC(=O)C1;CC1(CC(=O)CC(=O)C1)C","InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3","2,2 DIMETHYL,1,6 CYCLOHEXA DIONE; DIMEDONE","2004-09-14","2021-02-05","5,5-dimethylcyclohexane-1,3-dione","2021-02-10"],["WD8","methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate","C11 H15 N O3 S","O=C(N(CC(=O)OC)C(C)C)c1ccsc1;COC(=O)CN(C(C)C)C(=O)c1cscc1;CC(C)N(CC(=O)OC)C(=O)c1ccsc1","InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3","","2022-09-02","2022-10-28","methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate","2022-11-02"],["WD9","2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine","C23 H28 N8 O","CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12;CC(C)c1cnn2c1nc(nc2NCc3ccccc3n4cccn4)OC5CCCNC5","InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m0/s1","","2023-05-12","2024-03-15","2-[(3~{S})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine","2024-03-20"],["DC2","N-acetyl-S-[(1S)-1,2-dichloroethyl]-L-cysteine","C7 H11 Cl2 N O3 S","O=C(NC(C(=O)O)CSC(Cl)CCl)C;CC(=O)N[CH](CS[CH](Cl)CCl)C(O)=O;CC(=O)NC(CSC(CCl)Cl)C(=O)O","InChI=1S/C7H11Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h5-6H,2-3H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m0/s1","","2010-06-16","2011-06-04","N-acetyl-S-[(1S)-1,2-dichloroethyl]-L-cysteine",""],["WDA","5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione","C19 H18 N6 O5","C(n2cnc1N(C(=O)N(C(c12)=O)C)C)c3ccc(cc3)CC4C(NC(=O)NC4=O)=O;CN1C(=O)N(C)c2ncn(Cc3ccc(CC4C(=O)NC(=O)NC4=O)cc3)c2C1=O;CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C","InChI=1S/C19H18N6O5/c1-23-14-13(17(28)24(2)19(23)30)25(9-20-14)8-11-5-3-10(4-6-11)7-12-15(26)21-18(29)22-16(12)27/h3-6,9,12H,7-8H2,1-2H3,(H2,21,22,26,27,29)","","2020-10-16","2021-03-05","5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione","2021-03-10"],["DC3","(2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine","C19 H19 F3 N4","Fc1cc(c(F)cc1F)CC(N)CCn2nnc(c2)c3cccc(c3)C;Cc1cccc(c1)c2cn(CC[CH](N)Cc3cc(F)c(F)cc3F)nn2;Cc1cccc(c1)c2cn(nn2)CCC(Cc3cc(c(cc3F)F)F)N","InChI=1S/C19H19F3N4/c1-12-3-2-4-13(7-12)19-11-26(25-24-19)6-5-15(23)8-14-9-17(21)18(22)10-16(14)20/h2-4,7,9-11,15H,5-6,8,23H2,1H3/t15-/m0/s1","","2012-02-21","2013-02-22","(2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine","2013-02-22"],["DC4","2-CHLORODIBENZOFURAN","C12 H7 Cl O","Clc2cc1c3ccccc3oc1cc2;Clc1ccc2oc3ccccc3c2c1;c1ccc2c(c1)c3cc(ccc3o2)Cl","InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H","","2011-04-06","2012-05-11","2-chlorodibenzo[b,d]furan",""],["WDB","(~{E})-3-[2-[(3-chlorophenyl)methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid","C18 H13 Cl N2 O3","OC(=O)C=Cc1ccc2C(=O)NC(=Nc2c1)Cc3cccc(Cl)c3;c1cc(cc(c1)Cl)CC2=Nc3cc(ccc3C(=O)N2)C=CC(=O)O","InChI=1S/C18H13ClN2O3/c19-13-3-1-2-12(8-13)10-16-20-15-9-11(5-7-17(22)23)4-6-14(15)18(24)21-16/h1-9H,10H2,(H,22,23)(H,20,21,24)/b7-5+","","2023-09-29","2024-09-27","(~{E})-3-[2-[(3-chlorophenyl)methyl]-4-oxidanylidene-3~{H}-quinazolin-7-yl]prop-2-enoic acid","2024-10-02"],["DC5","2,6-DICHLOROBIPHENYL","C12 H8 Cl2","Clc2cccc(Cl)c2c1ccccc1;Clc1cccc(Cl)c1c2ccccc2;c1ccc(cc1)c2c(cccc2Cl)Cl","InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H","","2010-09-29","2011-06-04","2,6-dichlorobiphenyl",""],["WDC","2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol","C10 H15 Cl N2 O","Clc1ccc(N)cc1CN(C)CCO;CN(CCO)Cc1cc(N)ccc1Cl;CN(CCO)Cc1cc(ccc1Cl)N","InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3","","2022-09-02","2022-10-28","2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol","2022-11-02"],["WDD","1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione","C13 H20 N6 O3","C(Nc1nc2c(n1)C(=O)N(C)C(N2C)=O)CN3CCOCC3;CN1C(=O)N(C)c2nc(NCCN3CCOCC3)[nH]c2C1=O;CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C","InChI=1S/C13H20N6O3/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)14-3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3,(H2,14,15,16)","","2020-10-16","2021-03-05","1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione","2021-03-10"],["DC6","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","C14 H22 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OC(C)(C)C;CC1(CCC(=O)C(C1)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C14H22O5/c1-13(2,3)19-11(16)9-8-14(4,12(17)18-5)7-6-10(9)15/h9H,6-8H2,1-5H3/t9-,14+/m0/s1","","2023-07-17","2024-09-27","~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate","2024-07-24"],["WDE","3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid","C18 H16 N2 O3 S","O=C(O)CCSC(Nc1ccccc1)=C1/c2ccccc2NC1=O;OC(=O)CCSC(Nc1ccccc1)=C2C(=O)Nc3ccccc23;c1ccc(cc1)NC(=C2c3ccccc3NC2=O)SCCC(=O)O","InChI=1S/C18H16N2O3S/c21-15(22)10-11-24-18(19-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)20-17(16)23/h1-9,19H,10-11H2,(H,20,23)(H,21,22)/b18-16+","","2023-05-12","2023-06-09","3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid","2023-06-14"],["DC7","4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol","C16 H22 N4 O S","c1cc(cnc1)CN(Cc3nc(C2(O)CCNCC2)cs3)C;CN(Cc1cccnc1)Cc2scc(n2)C3(O)CCNCC3;CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O","InChI=1S/C16H22N4OS/c1-20(10-13-3-2-6-18-9-13)11-15-19-14(12-22-15)16(21)4-7-17-8-5-16/h2-3,6,9,12,17,21H,4-5,7-8,10-11H2,1H3","","2017-10-23","2020-04-17","4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol","2020-04-22"],["DC8","(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL","C18 H16 F2 O3","FC4(F)CC2C(c3c(OC2c1ccc(O)cc1)ccc(O)c3)C4;Oc1ccc(cc1)[CH]2Oc3ccc(O)cc3[CH]4CC(F)(F)C[CH]24;c1cc(ccc1C2C3CC(CC3c4cc(ccc4O2)O)(F)F)O","InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1","","2007-07-02","2011-06-04","(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",""],["WDF","2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","C35 H39 Cl3 F N5 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(Cl)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C;CN(C)CCCCNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](Cl)Cc3ccccc3C#N;CN(C)CCCCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)Cl","InChI=1S/C35H39Cl3FN5O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(39)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(38)18-24-7-3-4-8-26(24)22-40/h3-4,7-14,20,29,31-32H,5-6,15-19,21H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1","","2023-10-02","2025-01-10","2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","2025-01-15"],["DCA","DESULFO-COENZYME A","C21 H36 N7 O16 P3","O=C(NCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O;CCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1","","1999-07-08","2011-06-04","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-{[3-(ethylamino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)",""],["WDG","1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid","C15 H21 N5 O4 S","C(CN1CCC(C(O)=O)CC1)Sc3nc2c(C(N(C)C(N2C)=O)=O)n3;CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CCC(CC3)C(O)=O;CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C","InChI=1S/C15H21N5O4S/c1-18-11-10(12(21)19(2)15(18)24)16-14(17-11)25-8-7-20-5-3-9(4-6-20)13(22)23/h9H,3-8H2,1-2H3,(H,16,17)(H,22,23)","","2020-10-16","2021-03-05","1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid","2021-03-10"],["DCB","2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE","C18 H23 F N2 O14","[O-][N+](=O)c3ccc(OC2OC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2F)CO)c([N+]([O-])=O)c3;OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O[CH]2CO)Oc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)F","InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1","2',4'-DINITROPHENYL-2DEOXY-2-FLURO-B-D-CELLOBIOSIDE","1999-07-08","2024-09-27","2,4-dinitrophenyl 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside",""],["WDH","N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide","C11 H18 N4 O","Cc1nc(ccn1)N(CC(=O)NCC)CC;CCNC(=O)CN(CC)c1ccnc(C)n1;CCNC(=O)CN(CC)c1ccnc(n1)C","InChI=1S/C11H18N4O/c1-4-12-11(16)8-15(5-2)10-6-7-13-9(3)14-10/h6-7H,4-5,8H2,1-3H3,(H,12,16)","","2022-09-02","2022-10-28","N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide","2022-11-02"],["DCC","DODECYL-COA","C33 H58 N7 O17 P3 S","O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1","","2003-12-04","2011-06-04","S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} dodecanethioate (non-preferred name)",""],["WDI","(1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one","C13 H11 F3 O2","FC(F)(F)c1ccc(cc1)C1CC(O)=CC(=O)C1;OC1=CC(=O)C[CH](C1)c2ccc(cc2)C(F)(F)F;c1cc(ccc1C2CC(=CC(=O)C2)O)C(F)(F)F","InChI=1S/C13H11F3O2/c14-13(15,16)10-3-1-8(2-4-10)9-5-11(17)7-12(18)6-9/h1-4,7,9,17H,5-6H2/t9-/m0/s1","","2023-05-12","2023-06-09","(1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one","2023-06-14"],["WDJ","8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","C13 H19 N5 O4 S2","C3(N(C(c2nc(SCCN1CCS(CC1)(=O)=O)nc2N3C)=O)C)=O;CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CC[S](=O)(=O)CC3;CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C","InChI=1S/C13H19N5O4S2/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)23-6-3-18-4-7-24(21,22)8-5-18/h3-8H2,1-2H3,(H,14,15)","","2020-10-16","2021-03-05","8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","2021-03-10"],["DCD","DIETHYLCARBAMODITHIOIC ACID","C5 H11 N S2","S=C(S)N(CC)CC;CCN(CC)C(S)=S;CCN(CC)C(=S)S","InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)","","2001-11-23","2024-09-27","diethylcarbamodithioic acid",""],["DCE","1,2-DICHLOROETHANE","C2 H4 Cl2","ClCCCl;ClCCCl;C(CCl)Cl","InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2","ETHYLENE DICHLORIDE","1999-07-08","2020-06-17","1,2-dichloroethane",""],["WDK","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","C34 H39 Cl2 F N6 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN(C)C;CN(C)CCCNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;CN(C)CCCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C34H39Cl2FN6O3/c1-43(2)15-5-14-40-32(44)20-28(16-22-8-12-27(37)13-9-22)41-34(46)31(18-24-10-11-26(35)19-29(24)36)42-33(45)30(39)17-23-6-3-4-7-25(23)21-38/h3-4,6-13,19,28,30-31H,5,14-18,20,39H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t28-,30+,31+/m0/s1","","2023-10-02","2024-12-20","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide","2024-12-25"],["DCF","2'-DEOXYCOFORMYCIN","C11 H16 N4 O4","n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3)CO;OC[CH]1O[CH](C[CH]1O)n2cnc3[CH](O)CNC=Nc23;c1nc2c(n1C3CC(C(O3)CO)O)N=CNCC2O","InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1","","1999-07-08","2011-06-04","(8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol",""],["WDL","1,3,5-triazine-2,4,6-triol","C3 H3 N3 O3","Oc1nc(O)nc(O)n1;Oc1nc(O)nc(O)n1;c1(nc(nc(n1)O)O)O","InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)","Cyanuric Acid","2012-12-19","2020-06-17","1,3,5-triazine-2,4,6-triol","2013-05-22"],["DCG","2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h14,18-19H,11H2","","1999-07-08","2009-01-07","2'-deoxy-5'-guanylic acid",""],["WDM","1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one","C13 H17 N5 O3 S2","C(CSc2nc1N(C(=O)N(C)C(c1n2)=S)C)(N3CCOCC3)=O;CN1C(=O)N(C)c2nc([nH]c2C1=S)SCC(=O)N3CCOCC3;CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C","InChI=1S/C13H17N5O3S2/c1-16-10-9(11(22)17(2)13(16)20)14-12(15-10)23-7-8(19)18-3-5-21-6-4-18/h3-7H2,1-2H3,(H,14,15)","","2020-10-16","2021-03-05","1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one","2021-03-10"],["DCH","3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER","C26 H31 N3 O3","O=C(OCC)C(c2ccc(OC1CCNC1)cc2)Cc4cc3cc(ccc3cc4)C(N)N;CCOC(=O)[CH](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(OC4CCNC4)cc3;CCOC(=O)C(Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)OC4CCNC4","InChI=1S/C26H31N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-25,29H,2,11-12,14,16,27-28H2,1H3","","1999-07-08","2011-06-04","ethyl (2S)-3-[7-(diaminomethyl)naphthalen-2-yl]-2-[4-(pyrrolidin-3-yloxy)phenyl]propanoate",""],["WDN","methyl N-methyl-N-(thiophene-3-carbonyl)glycinate","C9 H11 N O3 S","CN(CC(=O)OC)C(=O)c1ccsc1;COC(=O)CN(C)C(=O)c1cscc1;CN(CC(=O)OC)C(=O)c1ccsc1","InChI=1S/C9H11NO3S/c1-10(5-8(11)13-2)9(12)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3","","2022-09-02","2022-10-28","methyl N-methyl-N-(thiophene-3-carbonyl)glycinate","2022-11-02"],["WDO","1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene","C12 H10 Cl O3 S","Clc1ccc(Oc2ccc(cc2)[S+](O)O)cc1;O[S+](O)c1ccc(Oc2ccc(Cl)cc2)cc1;c1cc(ccc1Oc2ccc(cc2)Cl)[S+](O)O","InChI=1S/C12H10ClO3S/c13-9-1-3-10(4-2-9)16-11-5-7-12(8-6-11)17(14)15/h1-8,14-15H/q+1","","2023-05-12","2023-06-09","[4-(4-chlorophenoxy)phenyl](dihydroxy)sulfanium","2023-06-14"],["DCI","2-METHYL-BUTYLAMINE","C5 H13 N","NCC(C)CC;CC[CH](C)CN;CCC(C)CN","InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1","LEUCINOL","1999-07-08","2020-06-17","(2S)-2-methylbutan-1-amine",""],["WDP","Sequanamycin 9","C61 H102 N4 O20 S","CC3C(OC1C(C(/CC(C)O1)=N/OC)O)C(C(C(C(=O)OC(C(C(C(C(C(C)(OC(=O)NC(C)(CNS(c2ccccc2)(=O)=O)C)C3)=O)C)OC(=O)CC(C)C)C)C(C)COC4C(C(C(C(C)O4)O)OC)OC)C)OC5OC(CN(C(C5)C)C)C)C;CON=C1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NC(C)(C)CN[S](=O)(=O)c3ccccc3)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[CH](C)N(C)C[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O;CC1CC(OC(CN1C)C)OC2C(C(C(CC(C(=O)C(C(C(C(OC(=O)C2C)C(C)COC3C(C(C(C(O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)OC5C(C(=NOC)CC(O5)C)O)C","InChI=1S/C61H102N4O20S/c1-32(2)25-45(66)81-51-39(9)50(34(4)30-77-58-54(75-18)53(74-17)47(67)42(12)80-58)83-56(70)41(11)52(82-46-26-35(5)65(16)29-37(7)78-46)38(8)49(84-57-48(68)44(64-76-19)27-36(6)79-57)33(3)28-61(15,55(69)40(51)10)85-59(71)63-60(13,14)31-62-86(72,73)43-23-21-20-22-24-43/h20-24,32-42,46-54,57-58,62,67-68H,25-31H2,1-19H3,(H,63,71)/b64-44+/t33-,34-,35+,36+,37-,38+,39-,40+,41+,42+,46-,47+,48+,49-,50+,51+,52-,53+,54+,57-,58+,61-/m0/s1","","2020-10-19","2022-01-14","(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-2-[(2S)-1-{[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propan-2-yl]-10-{[(2S,3R,4E,6R)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-7-[({2-methyl-1-[(phenylsulfonyl)amino]propan-2-yl}carbamoyl)oxy]-6,14-dioxo-12-{[(2S,5R,7R)-2,4,5-trimethyl-1,4-oxazepan-7-yl]oxy}-1-oxacyclotetradecan-4-yl 3-methylbutanoate (non-preferred name)","2022-01-19"],["DCJ","N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM","C14 H18 N5 O5","O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O;C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(O)=O)C(O)=O;C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O","InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1","HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE","2012-09-14","2021-03-01","N-{[1-(2,6-dicarboxypyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium","2012-11-09"],["WDQ","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide","C37 H37 Cl2 F N6 O3","N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCc1cccnc1;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCCCc3cccnc3)Cc4ccc(F)cc4;c1ccc(c(c1)CC(C(=O)NC(Cc2ccc(cc2Cl)Cl)C(=O)NC(Cc3ccc(cc3)F)CC(=O)NCCCc4cccnc4)N)C#N","InChI=1S/C37H37Cl2FN6O3/c38-29-12-11-27(32(39)20-29)19-34(46-36(48)33(42)18-26-7-1-2-8-28(26)22-41)37(49)45-31(17-24-9-13-30(40)14-10-24)21-35(47)44-16-4-6-25-5-3-15-43-23-25/h1-3,5,7-15,20,23,31,33-34H,4,6,16-19,21,42H2,(H,44,47)(H,45,49)(H,46,48)/t31-,33+,34+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide","2025-01-01"],["DCK","(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium","C7 H16 N O3","O=C(O)CC(O)C[N+](C)(C)C;C[N+](C)(C)C[CH](O)CC(O)=O;C[N+](C)(C)CC(CC(=O)O)O","InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1","D-carnitine","2010-12-09","2020-06-17","(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium",""],["DCL","2-AMINO-4-METHYL-PENTAN-1-OL","C6 H15 N O","OCC(N)CC(C)C;CC(C)C[CH](N)CO;CC(C)CC(CO)N","InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1","LEUCINOL","1999-11-10","2024-09-27","(2S)-2-amino-4-methylpentan-1-ol",""],["WDR","(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one","C16 H19 N3 O4","O=C3Nc2c(cc(c1c(onc1C)C)cc2)C(OCCO)N3C;CN1[CH](OCCO)c2cc(ccc2NC1=O)c3c(C)onc3C;Cc1c(c(on1)C)c2ccc3c(c2)C(N(C(=O)N3)C)OCCO","InChI=1S/C16H19N3O4/c1-9-14(10(2)23-18-9)11-4-5-13-12(8-11)15(22-7-6-20)19(3)16(21)17-13/h4-5,8,15,20H,6-7H2,1-3H3,(H,17,21)/t15-/m0/s1","","2011-07-13","2011-08-05","(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one",""],["DCM","2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O7 P","O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxy-5'-cytidylic acid",""],["WDS","3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one","C24 H28 N4 O2 S","O=C(c2cc3N=C(SCc1ncccc1)N(C(=O)c3cc2)CCCCC)N4CCCC4;CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4;CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4","InChI=1S/C24H28N4O2S/c1-2-3-6-15-28-23(30)20-11-10-18(22(29)27-13-7-8-14-27)16-21(20)26-24(28)31-17-19-9-4-5-12-25-19/h4-5,9-12,16H,2-3,6-8,13-15,17H2,1H3","","2014-09-18","2015-04-10","3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one","2015-04-15"],["WDT","2-nitro-5-(phenylsulfonyl)phenol","C12 H9 N O5 S","O=S(=O)(c1ccccc1)c2cc(O)c([N+]([O-])=O)cc2;Oc1cc(ccc1[N+]([O-])=O)[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-]","InChI=1S/C12H9NO5S/c14-12-8-10(6-7-11(12)13(15)16)19(17,18)9-4-2-1-3-5-9/h1-8,14H","","2014-09-19","2015-04-10","2-nitro-5-(phenylsulfonyl)phenol","2015-04-15"],["DCN","DICLOSAN","C12 H8 Cl2 O2","Clc2cc(O)c(Oc1ccc(Cl)cc1)cc2;Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2;c1cc(ccc1Oc2ccc(cc2O)Cl)Cl","InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H","","2001-09-13","2011-06-04","5-chloro-2-(4-chlorophenoxy)phenol",""],["DCO","3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYLIC ACID","C4 H5 Cl2 O5 P","O=C(O)C(=C(/Cl)Cl)CP(=O)(O)O;OC(=O)C(C[P](O)(O)=O)=C(Cl)Cl;C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O","InChI=1S/C4H5Cl2O5P/c5-3(6)2(4(7)8)1-12(9,10)11/h1H2,(H,7,8)(H2,9,10,11)","","2001-08-09","2011-06-04","3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid",""],["WDU","4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide","C11 H8 Cl2 N4 O3","Clc2c([N+]([O-])=O)nnc2C(=O)NCc1ccc(Cl)cc1;[O-][N+](=O)c1[nH]nc(C(=O)NCc2ccc(Cl)cc2)c1Cl;c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl","InChI=1S/C11H8Cl2N4O3/c12-7-3-1-6(2-4-7)5-14-11(18)9-8(13)10(16-15-9)17(19)20/h1-4H,5H2,(H,14,18)(H,15,16)","","2014-09-22","2015-04-10","4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide","2015-04-15"],["DCP","2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE","C9 H16 N3 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxycytidine 5'-(tetrahydrogen triphosphate)",""],["WDV","4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol","C18 H18 F3 N3 O3","FC(F)(F)c3cc(N2CCN(Cc1c(O)ccc([N+]([O-])=O)c1)CC2)ccc3;Oc1ccc(cc1CN2CCN(CC2)c3cccc(c3)C(F)(F)F)[N+]([O-])=O;c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F","InChI=1S/C18H18F3N3O3/c19-18(20,21)14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-10-16(24(26)27)4-5-17(13)25/h1-5,10-11,25H,6-9,12H2","","2014-09-22","2015-04-10","4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol","2015-04-15"],["DCQ","2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","C19 H30 O4","O=C1C(=C(C(=O)C(OC)=C1OC)C)CCCCCCCCCC;CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC;CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C","InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3","decylubiquinone","2009-04-17","2020-06-17","2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",""],["WDW","3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone","C15 H16 N2 O","O=C(c2cc1cc(ccc1n2)C)N3CC=CCC3;Cc1ccc2[nH]c(cc2c1)C(=O)N3CCC=CC3;Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3","InChI=1S/C15H16N2O/c1-11-5-6-13-12(9-11)10-14(16-13)15(18)17-7-3-2-4-8-17/h2-3,5-6,9-10,16H,4,7-8H2,1H3","","2014-09-22","2015-04-10","3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone","2015-04-15"],["WDX","[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone","C17 H22 N2 O2","O=C(c2cc1cc(ccc1n2)C)N3CCC(CCO)CC3;Cc1ccc2[nH]c(cc2c1)C(=O)N3CCC(CCO)CC3;Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO","InChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3","","2014-09-22","2015-04-10","[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone","2015-04-15"],["DCR","icosanoic acid","C20 H40 O2","O=C(O)CCCCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)","","2008-10-13","2011-06-04","icosanoic acid",""],["DCS","D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE","C11 H16 N3 O7 P","O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2CONC2=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O","InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1","D-PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE","1999-10-28","2020-06-17","[5-hydroxy-6-methyl-4-({[(4R)-3-oxoisoxazolidin-4-yl]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate",""],["WDY","N-[3-(1H-pyrazol-3-yl)phenyl]-1H-indazole-7-carboxamide","C17 H13 N5 O","n4ccc(c3cccc(NC(c1c2nncc2ccc1)=O)c3)n4;O=C(Nc1cccc(c1)c2cc[nH]n2)c3cccc4cn[nH]c34;c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4","InChI=1S/C17H13N5O/c23-17(14-6-2-4-12-10-19-22-16(12)14)20-13-5-1-3-11(9-13)15-7-8-18-21-15/h1-10H,(H,18,21)(H,19,22)(H,20,23)","","2020-10-19","2021-04-30","N-[3-(1H-pyrazol-3-yl)phenyl]-1H-indazole-7-carboxamide","2021-05-05"],["WDZ","methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate","C9 H14 N4 O2","COC(=O)Cn1nnnc1C1CCCC1;COC(=O)Cn1nnnc1C2CCCC2;COC(=O)Cn1c(nnn1)C2CCCC2","InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3","","2022-09-02","2022-10-28","methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate","2022-11-02"],["DCT","2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE","C9 H16 N3 O12 P3","NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2;C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1","","1999-07-08","2011-06-04","[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate",""],["DCU","3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM","C32 H44 N4","c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCCCCCCCCC[N+](C)(C)C)N;C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4;C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N","InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31-24-27(34)18-20-29(31)28-19-17-26(33)23-30(28)32(35)25-15-11-10-12-16-25/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1","DECIDIUM","2002-12-11","2020-06-17","3,8-diamino-6-phenyl-5-[10-(trimethylammonio)decyl]phenanthridinium",""],["WE0","(3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid","C28 H35 N3 O7","CC(C)[CH](NC(=O)c1ccc2ccccc2c1)C(=O)N3C4CCC(O)(CC4)[CH]3C(=O)N[CH](CO)CC(O)=O;CC(C)C(C(=O)N1C2CCC(C1C(=O)NC(CC(=O)O)CO)(CC2)O)NC(=O)c3ccc4ccccc4c3","InChI=1S/C28H35N3O7/c1-16(2)23(30-25(35)19-8-7-17-5-3-4-6-18(17)13-19)27(37)31-21-9-11-28(38,12-10-21)24(31)26(36)29-20(15-32)14-22(33)34/h3-8,13,16,20-21,23-24,32,38H,9-12,14-15H2,1-2H3,(H,29,36)(H,30,35)(H,33,34)/t20-,21-,23-,24+,28-/m0/s1","","2016-12-12","2024-09-27","(3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid","2017-12-20"],["WE1","4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide","C20 H27 N5 O3 S","n3c(NC(c2ccc(NC(NCC(C)(CC)N1CCOCC1)=O)cc2)=O)scc3;CC[C](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2sccn2)N3CCOCC3;CCC(C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3","InChI=1S/C20H27N5O3S/c1-3-20(2,25-9-11-28-12-10-25)14-22-18(27)23-16-6-4-15(5-7-16)17(26)24-19-21-8-13-29-19/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,24,26)(H2,22,23,27)/t20-/m1/s1","","2020-10-19","2021-04-30","4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide","2021-05-05"],["DCV","[(1R)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid","C11 H14 Cl2 N O5 P","Clc1ccc(cc1Cl)C(CCN(O)C(=O)C)P(=O)(O)O;CC(=O)N(O)CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O;CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O","InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m1/s1","","2011-04-05","2011-06-04","[(1R)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid",""],["WE2","6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid","C14 H14 F5 N O4","FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)O)C(=O)OC)C(F)F;COC(=O)c1c(CC(C)C)c(C(O)=O)c(nc1C(F)F)C(F)(F)F;CC(C)Cc1c(c(nc(c1C(=O)O)C(F)(F)F)C(F)F)C(=O)OC","InChI=1S/C14H14F5NO4/c1-5(2)4-6-7(13(23)24-3)9(11(15)16)20-10(14(17,18)19)8(6)12(21)22/h5,11H,4H2,1-3H3,(H,21,22)","","2023-05-12","2023-06-09","6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid","2023-06-14"],["DCW","DICYCLOHEXYLUREA","C13 H24 N2 O","O=C(NC1CCCCC1)NC2CCCCC2;O=C(NC1CCCCC1)NC2CCCCC2;C1CCC(CC1)NC(=O)NC2CCCCC2","InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)","","2000-08-25","2024-09-27","1,3-dicyclohexylurea",""],["WE3","~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide","C17 H14 N2 O7","Oc1cccc(c1O)C(=O)N[CH]2[CH](Cc3ccc(cc3)[N+]([O-])=O)OC2=O;c1cc(c(c(c1)O)O)C(=O)NC2C(OC2=O)Cc3ccc(cc3)[N+](=O)[O-]","InChI=1S/C17H14N2O7/c20-12-3-1-2-11(15(12)21)16(22)18-14-13(26-17(14)23)8-9-4-6-10(7-5-9)19(24)25/h1-7,13-14,20-21H,8H2,(H,18,22)/t13-,14+/m1/s1","Obafluorin","2023-09-30","2024-07-19","~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide","2024-07-24"],["DCX","DECYL(DIMETHYL)PHOSPHINE OXIDE","C12 H27 O P","O=P(CCCCCCCCCC)(C)C;CCCCCCCCCC[P](C)(C)=O;CCCCCCCCCCP(=O)(C)C","InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3","DIMETHYLDECYLPHOSPHINE OXIDE","2007-07-25","2021-03-01","decyl(dimethyl)phosphane oxide",""],["WE4","2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid","C8 H2 Br4 O4","C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O;OC(=O)c1c(Br)c(Br)c(C(O)=O)c(Br)c1Br;c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O","InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)","","2020-10-20","2021-04-23","2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid","2021-04-28"],["DCY","D-CYSTEINE","C3 H7 N O2 S","O=C(O)C(N)CS;N[CH](CS)C(O)=O;C(C(C(=O)O)N)S","InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1","","1999-07-08","2025-04-03","D-cysteine",""],["WE5","methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate","C12 H13 N O3","O=C(OC)C1CC(=O)N(C1)c1ccccc1;COC(=O)[CH]1CN(C(=O)C1)c2ccccc2;COC(=O)C1CC(=O)N(C1)c2ccccc2","InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1","","2022-09-02","2022-10-28","methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate","2022-11-02"],["DCZ","2'-DEOXYCYTIDINE","C9 H13 N3 O4","O=C1N=C(N)C=CN1C2OC(C(O)C2)CO;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2;C1C(C(OC1N2C=CC(=NC2=O)N)CO)O","InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1","","2001-05-30","2017-07-13","2'-deoxycytidine",""],["WE6","1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline","C19 H22 N4 O4 S","O=C(O)C1CCCN1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1;OC(=O)[CH]1CCCN1C(=O)Nc2sc3CCCCc3c2c4onc(n4)C5CC5;C1CCc2c(c(c(s2)NC(=O)N3CCCC3C(=O)O)c4nc(no4)C5CC5)C1","InChI=1S/C19H22N4O4S/c24-18(25)12-5-3-9-23(12)19(26)21-17-14(11-4-1-2-6-13(11)28-17)16-20-15(22-27-16)10-7-8-10/h10,12H,1-9H2,(H,21,26)(H,24,25)/t12-/m1/s1","","2023-05-12","2023-06-09","1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline","2023-06-14"],["DD0","2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one","C14 H18 F2 N4 O3","COc1nc(N)nc2CN([CH]3[CH](O)CCCCC3(F)F)C(=O)c12;COc1c2c(nc(n1)N)CN(C2=O)C3C(CCCCC3(F)F)O","InChI=1S/C14H18F2N4O3/c1-23-11-9-7(18-13(17)19-11)6-20(12(9)22)10-8(21)4-2-3-5-14(10,15)16/h8,10,21H,2-6H2,1H3,(H2,17,18,19)/t8-,10-/m0/s1","","2021-12-14","2022-10-14","2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one","2022-10-19"],["DD1","5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine","C21 H24 F N5 O","Fc1c(cccc1)CN2CCC(CC2)COc4c3c(nc(nc3ccc4)N)N;Nc1nc(N)c2c(OCC3CCN(CC3)Cc4ccccc4F)cccc2n1;c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F","InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)","","2007-12-11","2011-06-04","5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",""],["WE7","3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine","C19 H15 Cl2 N5","C1=4C(=C(N)N=CN1Cc2c(Cl)cccc2Cl)N=C(c3c(cccc3)C)N=4;Cc1ccccc1c2nc3n(Cc4c(Cl)cccc4Cl)cnc(N)c3n2;Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N","InChI=1S/C19H15Cl2N5/c1-11-5-2-3-6-12(11)18-24-16-17(22)23-10-26(19(16)25-18)9-13-14(20)7-4-8-15(13)21/h2-8,10H,9,22H2,1H3","","2020-10-20","2021-05-14","3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine","2021-05-19"],["WE8","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-4-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide","C37 H37 Cl2 F N6 O3","N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCc1ccncc1;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCCCc3ccncc3)Cc4ccc(F)cc4;c1ccc(c(c1)CC(C(=O)NC(Cc2ccc(cc2Cl)Cl)C(=O)NC(Cc3ccc(cc3)F)CC(=O)NCCCc4ccncc4)N)C#N","InChI=1S/C37H37Cl2FN6O3/c38-29-10-9-27(32(39)21-29)20-34(46-36(48)33(42)19-26-5-1-2-6-28(26)23-41)37(49)45-31(18-25-7-11-30(40)12-8-25)22-35(47)44-15-3-4-24-13-16-43-17-14-24/h1-2,5-14,16-17,21,31,33-34H,3-4,15,18-20,22,42H2,(H,44,47)(H,45,49)(H,46,48)/t31-,33+,34+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-4-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide","2025-01-01"],["DD2","5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine","C21 H23 Cl2 N5 O","Clc1c(Cl)c(ccc1)CN2CCC(CC2)COc4c3c(nc(nc3ccc4)N)N;Nc1nc(N)c2c(OCC3CCN(CC3)Cc4cccc(Cl)c4Cl)cccc2n1;c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N","InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)","","2007-12-11","2011-06-04","5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",""],["WE9","8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","C18 H19 Cl N4 O","Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CC[N+]([O-])(C)CC1;C[N+]1([O-])CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24;C[N+]1(CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl)[O-]","InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3","","2022-09-02","2022-11-25","8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","2022-11-30"],["DD3","5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine","C16 H15 Cl N4 O","Clc1cccc(c1)C(Oc3c2c(nc(nc2N)N)ccc3)C;C[CH](Oc1cccc2nc(N)nc(N)c12)c3cccc(Cl)c3;CC(c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N","InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1","","2007-12-11","2011-06-04","5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine",""],["DD4","(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","C13 H14 F N3 O2","c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O;Cc1ccc(cc1F)c2noc(n2)[CH]3C[CH](O)CN3;Cc1ccc(cc1F)c2nc(on2)C3CC(CN3)O","InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1","","2017-10-23","2020-04-17","(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol","2020-04-22"],["WEA","(1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid","C14 H18 O3","O=C(O)C1CCCCC1COc1ccccc1;OC(=O)[CH]1CCCC[CH]1COc2ccccc2;c1ccc(cc1)OCC2CCCCC2C(=O)O","InChI=1S/C14H18O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t11-,13-/m0/s1","","2023-05-12","2023-06-09","(1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid","2023-06-14"],["DD5","(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol","C22 H29 F2 N3 O4","O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3;c1cc(c(cc1c2ccn(n2)CC(CN3CCOCC3)O)OC4CCCC4)OC(F)F","InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1","","2018-01-11","2018-05-11","(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol","2018-05-16"],["WEB","alpha-D-psicopyranose","C6 H12 O6","OC[C]1(O)OC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(O1)(CO)O)O)O)O","InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1","(2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","2023-10-02","2023-10-20","(2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","2023-10-25"],["DD6","(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol","C40 H54 O3","CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C;CC1=C(C#CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1;CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C","InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1","Diadinoxanthin","2018-10-17","2021-03-01","(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol","2019-02-06"],["WEC","11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","C18 H20 N4","CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12;CN1CCN(CC1)C2=Nc3ccccc3Nc4ccccc24;CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cccc4","InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3","","2022-09-02","2022-11-25","11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine","2022-11-30"],["WED","{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid","C15 H19 Cl O3","OC1(CC(=O)O)CCCCC1Cc1ccccc1Cl;OC(=O)C[C]1(O)CCCC[CH]1Cc2ccccc2Cl;c1ccc(c(c1)CC2CCCCC2(CC(=O)O)O)Cl","InChI=1S/C15H19ClO3/c16-13-7-2-1-5-11(13)9-12-6-3-4-8-15(12,19)10-14(17)18/h1-2,5,7,12,19H,3-4,6,8-10H2,(H,17,18)/t12-,15+/m0/s1","","2023-05-12","2023-06-09","{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid","2023-06-14"],["DD7","(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol","C19 H21 N O3 S","c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4;O[CH]1[CH](NCc2ccccc2)[CH]3CO[CH](O3)[CH]1Sc4ccccc4;c1ccc(cc1)CNC2C3COC(O3)C(C2O)Sc4ccccc4","InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1","","2017-10-23","2020-04-17","(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["WEE","(2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol","C15 H14 Cl F N6 O2","N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2;c1cc(ccc1c2nnn(n2)CC(CO)N)Oc3c(cc(cn3)Cl)F","InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m1/s1","","2023-10-04","2023-12-01","(2~{R})-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol","2023-12-06"],["DD8","3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one","C21 H20 N4 O2","CN1C(=O)N(C2CCOCC2)c3c1cnc4ccc(cc34)c5cccnc5;CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5","InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3","","2018-01-12","2018-06-15","3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one","2018-06-20"],["WEF","N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine","C21 H17 F3 N2 O4 S","O=C(O)C(NC(=O)c1sc(nc1C)c2ccc(cc2)C(F)(F)F)Cc3ccc(O)cc3;Cc1nc(sc1C(=O)N[CH](Cc2ccc(O)cc2)C(O)=O)c3ccc(cc3)C(F)(F)F;Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(Cc3ccc(cc3)O)C(=O)O","InChI=1S/C21H17F3N2O4S/c1-11-17(31-19(25-11)13-4-6-14(7-5-13)21(22,23)24)18(28)26-16(20(29)30)10-12-2-8-15(27)9-3-12/h2-9,16,27H,10H2,1H3,(H,26,28)(H,29,30)/t16-/m0/s1","","2014-09-25","2015-01-16","N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine","2015-01-21"],["DD9","nonane","C9 H20","CCCCCCCCC;CCCCCCCCC;CCCCCCCCC","InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3","","2009-05-07","2011-06-04","nonane",""],["DDA","beta-D-Olivopyranose","C6 H12 O4","OC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1O;CC1C(C(CC(O1)O)O)O","InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1","beta-D-Olivose; 2,6-dideoxy-beta-D-arabino-hexopyranose; 2,6-dideoxy-beta-D-glucopyranose;\n2,6-dideoxy-beta-D-mannopyranose; 2-deoxy-beta-D-quinovopyranose; 2-deoxy-beta-D-rhamnoopyranose; D-Olivose; Olivose;\n2,6-DIDEOXY-BETA-D-GLUCOSE; 2,6-DIDEOXY-BETA-D-MANNOSE","1999-07-08","2020-07-17","2,6-dideoxy-beta-D-arabino-hexopyranose",""],["WEG","2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","C16 H12 N4","c1ccc(cc1)c2nc4c(c2)cc(c3cnnc3)cn4;[nH]1cc(cn1)c2cnc3[nH]c(cc3c2)c4ccccc4;c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4","InChI=1S/C16H12N4/c1-2-4-11(5-3-1)15-7-12-6-13(8-17-16(12)20-15)14-9-18-19-10-14/h1-10H,(H,17,20)(H,18,19)","","2020-10-21","2021-07-02","2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine","2021-07-07"],["WEH","L-Homoglutamine","C6 H12 N2 O3","NC(CCCC(N)=O)C(=O)O;N[CH](CCCC(N)=O)C(O)=O;C(CC(C(=O)O)N)CC(=O)N","InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1","(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid","2023-10-03","2026-03-25","6-oxo-L-lysine","2024-03-27"],["DDB","3-METHYL-2,6-DIDEOXY-BETA-D-ALLOPYRANOSE","C7 H14 O4","OC1(C)C(O)C(OC(O)C1)C;C[CH]1O[CH](O)C[C](C)(O)[CH]1O;CC1C(C(CC(O1)O)(C)O)O","InChI=1/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1","3-O-METHYL-2,6-DIDEOXY-BETA-D-ALTROPYRANOSE","1999-07-09","2008-10-14","2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose",""],["DDC","7-HYDROXY-2-PHENYL-CHROMAN-4-ONE","C15 H12 O3","O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3;Oc1ccc2C(=O)C[CH](Oc2c1)c3ccccc3;c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O","InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1","5,4'-DIDEOXYFLAVANONE","2000-08-30","2020-06-17","(2S)-7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one",""],["WEI","thieno[2,3-d]pyrimidine-2,4-diamine","C6 H6 N4 S","Nc1nc(N)nc2sccc12;Nc1nc(N)c2ccsc2n1;c1csc2c1c(nc(n2)N)N","InChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)","","2023-05-12","2023-06-09","thieno[2,3-d]pyrimidine-2,4-diamine","2023-06-14"],["DDD","(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-10-CARBOXYLIC ACID","C12 H17 N3 O6 S","O=C(O)CNC(=O)C2N1C(=O)CCC(N(C1)CSC2)C(=O)O;OC(=O)CNC(=O)[CH]1CSCN2CN1C(=O)CC[CH]2C(O)=O;C1CC(=O)N2CN(C1C(=O)O)CSCC2C(=O)NCC(=O)O","InChI=1S/C12H17N3O6S/c16-9-2-1-7(12(20)21)14-5-15(9)8(4-22-6-14)11(19)13-3-10(17)18/h7-8H,1-6H2,(H,13,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1","","2007-04-30","2011-06-04","(5R,10S)-5-[(carboxymethyl)carbamoyl]-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid",""],["WEJ","4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide","C19 H17 N5 O","Cc4c(C)c(C(Nc3cnc2nc(c1ccccc1)cc2c3)=O)nn4;Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(cc3c2)c4ccccc4)c1C;Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C","InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)","","2020-10-21","2021-07-02","4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide","2021-07-07"],["WEK","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-[(4-methoxybutyl)amino]-4-oxobutan-2-yl}-D-phenylalaninamide","C34 H38 Cl2 F N5 O4","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCOC;COCCCCNC(=O)C[CH](Cc1ccc(F)cc1)NC(=O)[CH](Cc2ccc(Cl)cc2Cl)NC(=O)[CH](N)Cc3ccccc3C#N;COCCCCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C34H38Cl2FN5O4/c1-46-15-5-4-14-40-32(43)20-28(16-22-8-12-27(37)13-9-22)41-34(45)31(18-24-10-11-26(35)19-29(24)36)42-33(44)30(39)17-23-6-2-3-7-25(23)21-38/h2-3,6-13,19,28,30-31H,4-5,14-18,20,39H2,1H3,(H,40,43)(H,41,45)(H,42,44)/t28-,30+,31+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-[(4-methoxybutyl)amino]-4-oxobutan-2-yl}-D-phenylalaninamide","2025-01-01"],["DDE","{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-TRIMETHYL-AMMONIUM","C13 H24 N5 O3","O=C(O)C(N)Cc1nc(nc1)CCC(C(=O)N)[N+](C)(C)C;C[N+](C)(C)[CH](CCc1[nH]cc(C[CH](N)C(O)=O)n1)C(N)=O;C[N+](C)(C)C(CCc1[nH]cc(n1)CC(C(=O)O)N)C(=O)N","InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1","DIPHTHAMIDE; 2-(3-CARBOXYAMIDO-3-(TRIMETHYLAMMONIO)PROPYL)HISTIDINE","2004-07-29","2024-09-27","(2R)-1-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxobutan-2-aminium",""],["WEL","(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C25 H37 N5 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1[nH]c2ccccc2n1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2[nH]c3ccccc3n2","InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22-/m0/s1","","2022-09-05","2024-09-27","(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-14"],["DDF","5,10-DIDEAZATETRAHYDROFOLIC ACID","C21 H25 N5 O6","O=C(O)C(NC(=O)c1ccc(cc1)CCC3CNC=2NC(=NC(=O)C=2C3)N)CCC(=O)O;NC1=NC(=O)C2=C(NC[CH](CCc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)C2)N1;c1cc(ccc1CCC2CC3=C(NC2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1","","1999-07-08","2011-06-04","N-[(4-{2-[(6R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid",""],["WEM","methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate","C24 H20 F2 N4 O5 S","C13=CN(C(=O)c2c1c(cn2)CN(c4c3cc(CS(C)(=O)=O)c(c4)C(=O)OC)c5c(F)cc(cn5)F)C;COC(=O)c1cc2N(Cc3c[nH]c4C(=O)N(C)C=C(c2cc1C[S](C)(=O)=O)c34)c5ncc(F)cc5F;CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C","InChI=1S/C24H20F2N4O5S/c1-29-10-17-16-4-12(11-36(3,33)34)15(24(32)35-2)6-19(16)30(22-18(26)5-14(25)8-28-22)9-13-7-27-21(20(13)17)23(29)31/h4-8,10,27H,9,11H2,1-3H3","","2020-10-21","2021-02-19","methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate","2021-02-24"],["DDG","2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O6 P","O=C1c2ncn(c2N=C(N)N1)C3OC(CC3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3CC[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CCC(O3)COP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O6P/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(21-6)3-20-22(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1","","1999-07-08","2011-06-04","[(2S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate",""],["DDH","[7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON","C34 H32 Fe N4 O6","CC(=O)c1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4C)CCC(O)=O)C(=C6C)CCC(O)=O)C(=C3C(O)=C)C;Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C","InChI=1S/C34H34N4O6.Fe/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14H,5,7-10H2,1-4,6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;","DIACETYLDEUTEROHEME","1999-07-08","2023-09-23","",""],["WEN","[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid","C13 H19 N O3","O=C(O)Cc1nc(oc1C)C1(C)CCCCC1;Cc1oc(nc1CC(O)=O)C2(C)CCCCC2;Cc1c(nc(o1)C2(CCCCC2)C)CC(=O)O","InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16)","","2023-05-12","2023-06-09","[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid","2023-06-14"],["DDI","SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI)","C31 H31 N O7","O=C6c2cc1ccccc1cc2C7C4(c3ccccc3CCC4=O)C(OC5OC(C(O)C(O)C5N)CO)CC67;N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2C[CH]3[CH](c4cc5ccccc5cc4C3=O)[C]26C(=O)CCc7ccccc67;c1ccc2cc3c(cc2c1)C4C(C3=O)CC(C45c6ccccc6CCC5=O)OC7C(C(C(C(O7)CO)O)O)N","InChI=1S/C31H31NO7/c32-26-29(37)28(36)22(14-33)38-30(26)39-24-13-20-25(31(24)21-8-4-3-5-15(21)9-10-23(31)34)18-11-16-6-1-2-7-17(16)12-19(18)27(20)35/h1-8,11-12,20,22,24-26,28-30,33,36-37H,9-10,13-14,32H2/t20-,22+,24-,25-,26+,28+,29+,30-,31-/m0/s1","","2003-05-12","2011-06-04","(1S,2'S,3a'R,10a'S)-2,10'-dioxo-1',3,3a',4,10',10a'-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-2'-yl 2-amino-2-deoxy-beta-D-glucopyranoside",""],["WEO","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(pent-4-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide","C34 H34 Cl2 F N5 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCC#C;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCCCC#C)Cc3ccc(F)cc3;C#CCCCNC(=O)CC(Cc1ccc(cc1)F)NC(=O)C(Cc2ccc(cc2Cl)Cl)NC(=O)C(Cc3ccccc3C#N)N","InChI=1S/C34H34Cl2FN5O3/c1-2-3-6-15-40-32(43)20-28(16-22-9-13-27(37)14-10-22)41-34(45)31(18-24-11-12-26(35)19-29(24)36)42-33(44)30(39)17-23-7-4-5-8-25(23)21-38/h1,4-5,7-14,19,28,30-31H,3,6,15-18,20,39H2,(H,40,43)(H,41,45)(H,42,44)/t28-,30+,31+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(pent-4-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide","2025-01-01"],["WEP","N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","C56 H67 F2 N9 O8 S2","c8sc(c1ccc(cc1)CNC(C2CC(O)CN2C(C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c3cc5c(cc3CS(C)(=O)=O)C4=CN(C(c7c4c(CN5c6c(F)cc(F)cn6)cn7)=O)C)=O)=O)c(C)n8;CN1C=C2c3cc(C[S](C)(=O)=O)c(cc3N(Cc4c[nH]c(C1=O)c24)c5ncc(F)cc5F)C(=O)NCCCCCCCCCCC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O","InChI=1S/C56H67F2N9O8S2/c1-33-49(76-32-63-33)35-18-16-34(17-19-35)25-62-53(71)45-23-39(68)29-67(45)55(73)50(56(2,3)4)64-46(69)15-13-11-9-7-8-10-12-14-20-59-52(70)40-24-44-41(21-36(40)31-77(6,74)75)42-30-65(5)54(72)48-47(42)37(26-60-48)28-66(44)51-43(58)22-38(57)27-61-51/h16-19,21-22,24,26-27,30,32,39,45,50,60,68H,7-15,20,23,25,28-29,31H2,1-6H3,(H,59,70)(H,62,71)(H,64,69)/t39-,45+,50-/m1/s1","","2020-10-21","2021-02-19","N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","2021-02-24"],["DDJ","3,3'-dimethoxybiphenyl-4,4'-diamine","C14 H16 N2 O2","O(c1cc(ccc1N)c2ccc(N)c(OC)c2)C;COc1cc(ccc1N)c2ccc(N)c(OC)c2;COc1cc(ccc1N)c2ccc(c(c2)OC)N","InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3","o-Dianisidine","2011-12-12","2020-06-17","3,3'-dimethoxybiphenyl-4,4'-diamine","2012-11-30"],["DDK","(2R)-7-amino-2-(selanylmethyl)heptanoic acid","C8 H17 N O2 Se","O=C(O)C(CCCCCN)C[SeH];NCCCCC[CH](C[SeH])C(O)=O;C(CCC(C[SeH])C(=O)O)CCN","InChI=1S/C8H17NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1","","2013-06-13","2013-09-27","(2R)-7-amino-2-(selanylmethyl)heptanoic acid","2013-10-02"],["WEQ","(1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen","C25 H37 N5 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1[nH]c2ccccc2n1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2[nH]c3ccccc3n2","InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22+/m0/s1","","2022-09-05","2024-09-27","(1R,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-14"],["DDL","2,6-dideoxy-beta-D-galactopyranose","C6 H12 O4","OC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1O;CC1C(C(CC(O1)O)O)O","InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1","2,6-DIDEOXY-BETA-D-GALACTOSE; 2,6-DIDEOXY-BETA-D-TALOSE; 2,6-dideoxy-beta-D-lyxo-hexopyranose;\n2-deoxy-beta-D-fucopyranose; 2,6-dideoxy-D-galactose; 2,6-dideoxy-galactose","1999-07-08","2020-07-17","2,6-dideoxy-beta-D-lyxo-hexopyranose",""],["WER","(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine","C21 H22 N6 S","Cc1ccsc1c1nc(N(C)C(C)C)c(c2nnn[NH]2)c(c1)c1ccccc1;CC(C)N(C)c1nc(cc(c2ccccc2)c1c3[nH]nnn3)c4sccc4C;Cc1ccsc1c2cc(c(c(n2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4","InChI=1S/C21H22N6S/c1-13(2)27(4)21-18(20-23-25-26-24-20)16(15-8-6-5-7-9-15)12-17(22-21)19-14(3)10-11-28-19/h5-13H,1-4H3,(H,23,24,25,26)","","2023-05-12","2023-06-09","(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine","2023-06-14"],["DDM","2-HYDROXYMETHYL-PIPERIDINE-3,4,5-TRIOL","C6 H13 N O4","OC1C(NCC(O)C1O)CO;OC[CH]1NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)CO)O)O)O","InChI=1/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1","1,5-DIDEOXY-1,5-IMINO-D-MANNITOL","2001-01-17","2008-10-14","(2R,3R,4R,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["WES","(2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate","C45 H86 O22 P4","C(/CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(OP(O)(O)=O)C(C(C1O)OP(O)(=O)O)OP(O)(=O)O)OC(CCCCCCC[C@H]=CCCCCCCCC)=O)=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h17-20,37,40-45,48-49H,3-16,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b19-17+,20-18+/t37-,40-,41-,42-,43+,44-,45-/m0/s1","","2020-10-22","2021-05-14","(2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate","2021-05-19"],["WET","L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","C10 H11 N O3","OC(=O)[CH]1Cc2ccc(O)cc2CN1;c1cc2c(cc1O)CNC(C2)C(=O)O","InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1","(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","2023-10-03","2024-09-27","(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","2024-03-27"],["DDN","3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C9 H15 N2 O8 P","O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C[CH](O)NC2=O;C1C(C(OC1N2C=CC(NC2=O)O)COP(=O)(O)O)O","InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1","((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE","2004-12-14","2021-03-13","(4R)-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one",""],["DDO","6-HYDROXY-D-NORLEUCINE","C6 H13 N O3","O=C(O)C(N)CCCCO;N[CH](CCCCO)C(O)=O;C(CCO)CC(C(=O)O)N","InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m1/s1","","2001-09-11","2024-09-27","6-hydroxy-D-norleucine",""],["WEU","2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide","C11 H14 Cl N3 O2","CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1;CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1;CC(=O)NNC(=O)CN(C)c1ccc(cc1)Cl","InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)","","2022-09-06","2024-09-27","N'-acetyl-2-[(4-chlorophenyl)(methyl)amino]acetohydrazide (non-preferred name)","2023-09-20"],["DDP","2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE","C4 H6 N4 O2","Oc1nc(nc(O)c1N)N;Nc1nc(O)c(N)c(O)n1;c1(c(nc(nc1O)N)O)N","InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)","","2001-05-08","2011-06-04","2,5-diaminopyrimidine-4,6-diol",""],["WEV","(5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose","C35 H58 O9","COC1C=CC=C(CC(C)C(C(C=C(C=C(C(OC1C(C)C(O)C(C)C2(CC(O)C(C(O2)C(C)C)C)O)=O)OC)C)C)O)C;CO[CH]1C=CC=C(C)C[CH](C)[CH](O)[CH](C)C=C(C)C=C(OC)C(=O)O[CH]1[CH](C)[CH](O)[CH](C)[C]2(O)C[CH](O)[CH](C)[CH](O2)C(C)C;CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C","InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23-,24+,25+,26+,27-,28+,30+,31-,32-,33-,35-/m1/s1","","2020-10-22","2021-03-12","(5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose","2021-03-17"],["DDQ","DECYLAMINE-N,N-DIMETHYL-N-OXIDE","C12 H27 N O","[O-][N+](CCCCCCCCCC)(C)C;CCCCCCCCCC[N+](C)(C)[O-];CCCCCCCCCC[N+](C)(C)[O-]","InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3","","1999-10-01","2011-06-04","decyl(dimethyl)amine oxide",""],["WEW","(3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide","C29 H31 Cl N2 O5","COc1cc(ccc1CN2CC[CH](C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5OCCOc5c4;COc1cc(ccc1CN2CCC(C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5c(c4)OCCO5","InChI=1S/C29H31ClN2O5/c1-35-26-15-19(5-6-21(26)17-32-11-9-22(18-32)29(34)31-10-12-33)23-3-2-4-24(28(23)30)20-7-8-25-27(16-20)37-14-13-36-25/h2-8,15-16,22,33H,9-14,17-18H2,1H3,(H,31,34)/t22-/m1/s1","","2023-05-12","2024-01-12","(3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide","2024-01-17"],["WEX","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(2-phenylethyl)amino]butan-2-yl}-D-phenylalaninamide","C37 H36 Cl2 F N5 O3","Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCc1ccccc1;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCCc3ccccc3)Cc4ccc(F)cc4;c1ccc(cc1)CCNC(=O)CC(Cc2ccc(cc2)F)NC(=O)C(Cc3ccc(cc3Cl)Cl)NC(=O)C(Cc4ccccc4C#N)N","InChI=1S/C37H36Cl2FN5O3/c38-29-13-12-27(32(39)21-29)20-34(45-36(47)33(42)19-26-8-4-5-9-28(26)23-41)37(48)44-31(18-25-10-14-30(40)15-11-25)22-35(46)43-17-16-24-6-2-1-3-7-24/h1-15,21,31,33-34H,16-20,22,42H2,(H,43,46)(H,44,48)(H,45,47)/t31-,33+,34+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(2-phenylethyl)amino]butan-2-yl}-D-phenylalaninamide","2025-01-01"],["DDR","(2S)-3-hydroxypropane-1,2-diyl didecanoate","C23 H44 O5","O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC;CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC","InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1","1,2-DIDECANOYL-SN-GLYCEROL","2007-10-04","2020-06-17","(2S)-3-hydroxypropane-1,2-diyl didecanoate",""],["DDS","2',3'-dideoxyadenosine triphosphate","C10 H16 N5 O11 P3","Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N","InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1","","2010-03-16","2011-06-04","[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",""],["WEZ","N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine","C8 H16 N4 O4","O=CC(N)CCCNC(=N)NC(O)C=O;N[CH](CCCNC(=N)N[CH](O)C=O)C(O)=O;C(CC(C(=O)O)N)CNC(=N)NC(C=O)O","InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-6(14)4-13/h4-6,14H,1-3,9H2,(H,15,16)(H3,10,11,12)/t5-,6-/m0/s1","","2022-09-06","2024-09-27","N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine","2023-12-27"],["DDT","N,O-DIDANSYL-L-TYROSINE","C33 H33 N3 O7 S2","O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)c5c4cccc(N(C)C)c4ccc5;CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](Cc3ccc(O[S](=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NC(Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O","InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1","","2001-07-08","2011-06-04","N,O-bis{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-tyrosine",""],["WF0","2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol","C17 H16 Br F4 N O2","OCCNCc1cc(Br)ccc1OCc2ccc(F)c(c2)C(F)(F)F;c1cc(c(cc1COc2ccc(cc2CNCCO)Br)C(F)(F)F)F","InChI=1S/C17H16BrF4NO2/c18-13-2-4-16(12(8-13)9-23-5-6-24)25-10-11-1-3-15(19)14(7-11)17(20,21)22/h1-4,7-8,23-24H,5-6,9-10H2","","2023-05-12","2024-05-17","2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol","2024-05-22"],["WF1","17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid","C12 H24 N2 O7","C(OCCOCC(O)=O)CNC(COCCOCCN)=O;NCCOCCOCC(=O)NCCOCCOCC(O)=O;C(COCCOCC(=O)NCCOCCOCC(=O)O)N","InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)","","2020-10-23","2024-09-27","17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid","2021-08-04"],["DDU","2'-5'DIDEOXYURIDINE","C9 H12 N2 O4","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)C;C[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O;CC1C(CC(O1)N2C=CC(=O)NC2=O)O","InChI=1S/C9H12N2O4/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14/h2-3,5-6,8,12H,4H2,1H3,(H,10,13,14)/t5-,6+,8-/m1/s1","","1999-07-08","2011-06-04","2',5'-dideoxyuridine",""],["WF2","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[4-(pyrrolidin-1-yl)butyl]amino}butan-2-yl]-D-phenylalaninamide","C37 H43 Cl2 F N6 O3","N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN1CCCC1;N[CH](Cc1ccccc1C#N)C(=O)N[CH](Cc2ccc(Cl)cc2Cl)C(=O)N[CH](CC(=O)NCCCCN3CCCC3)Cc4ccc(F)cc4;c1ccc(c(c1)CC(C(=O)NC(Cc2ccc(cc2Cl)Cl)C(=O)NC(Cc3ccc(cc3)F)CC(=O)NCCCCN4CCCC4)N)C#N","InChI=1S/C37H43Cl2FN6O3/c38-29-12-11-27(32(39)22-29)21-34(45-36(48)33(42)20-26-7-1-2-8-28(26)24-41)37(49)44-31(19-25-9-13-30(40)14-10-25)23-35(47)43-15-3-4-16-46-17-5-6-18-46/h1-2,7-14,22,31,33-34H,3-6,15-21,23,42H2,(H,43,47)(H,44,49)(H,45,48)/t31-,33+,34+/m0/s1","","2023-10-02","2024-12-27","2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[4-(pyrrolidin-1-yl)butyl]amino}butan-2-yl]-D-phenylalaninamide","2025-01-01"],["DDV","(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol","C16 H21 N O3 S","c1ccccc1SC2C4OC(C(C2O)NCC3CC3)CO4;O[CH]1[CH](NCC2CC2)[CH]3CO[CH](O3)[CH]1Sc4ccccc4;c1ccc(cc1)SC2C(C(C3COC2O3)NCC4CC4)O","InChI=1S/C16H21NO3S/c18-14-13(17-8-10-6-7-10)12-9-19-16(20-12)15(14)21-11-4-2-1-3-5-11/h1-5,10,12-18H,6-9H2/t12-,13-,14+,15-,16-/m1/s1","","2017-10-23","2020-04-17","(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)","2020-04-22"],["WF3","methyl (2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate","C22 H19 F3 N2 O4","O=C(OC)C(=COC)c1ccccc1COc2nc3ccc(cc3nc2C(F)(F)F)C;COC=C(C(=O)OC)c1ccccc1COc2nc3ccc(C)cc3nc2C(F)(F)F;Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3C(=COC)C(=O)OC)C(F)(F)F","InChI=1S/C22H19F3N2O4/c1-13-8-9-17-18(10-13)26-19(22(23,24)25)20(27-17)31-11-14-6-4-5-7-15(14)16(12-29-2)21(28)30-3/h4-10,12H,11H2,1-3H3/b16-12+","","2011-08-30","2012-06-29","methyl (2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate",""],["DDW","(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid","C8 H17 N O2 S","O=C(O)C(CCCCCN)CS;NCCCCC[CH](CS)C(O)=O;C(CCC(CS)C(=O)O)CCN","InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1","","2013-05-21","2013-09-27","(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid","2013-10-02"],["DDX","2',3'-DEHYDRO-2',3'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE","C5 H9 O6 P","O=P(OCC1OC(O)C=C1)(O)O;O[CH]1O[CH](CO[P](O)(O)=O)C=C1;C1=CC(OC1COP(=O)(O)O)O","InChI=1S/C5H9O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h1-2,4-6H,3H2,(H2,7,8,9)/t4-,5-/m0/s1","","2002-08-22","2011-06-04","[(2S,5S)-5-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate",""],["WF4","4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid","C12 H8 F3 N O2 S","FC(F)(F)c2ccc(c1nc(c(s1)C(=O)O)C)cc2;Cc1nc(sc1C(O)=O)c2ccc(cc2)C(F)(F)F;Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O","InChI=1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)","","2014-09-24","2015-01-16","4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid","2015-01-21"],["WF5","(1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H36 Cl N3 O9 S","CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(Cl)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Oc1ccc(Cl)cc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Oc2ccc(cc2)Cl","InChI=1S/C24H36ClN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1","","2022-09-06","2024-09-27","(1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-14"],["DDY","2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE","C9 H15 N3 O9 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2;NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(O)=O)O2;C1CC(OC1COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1","DDCDP","2004-04-19","2020-06-17","[(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate",""],["WF6","5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol","C12 H14 Cl N3 O S","Sc1nnc(COc2ccccc2Cl)n1C(C)C;CC(C)n1c(S)nnc1COc2ccccc2Cl;CC(C)n1c(nnc1S)COc2ccccc2Cl","InChI=1S/C12H14ClN3OS/c1-8(2)16-11(14-15-12(16)18)7-17-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,18)","","2023-05-12","2023-06-09","5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol","2023-06-14"],["DDZ","3,3-DIHYDROXY L-ALANINE","C3 H7 N O4","O=C(O)C(N)C(O)O;N[CH](C(O)O)C(O)=O;C(C(O)O)(C(=O)O)N","InChI=1S/C3H7NO4/c4-1(2(5)6)3(7)8/h1-2,5-6H,4H2,(H,7,8)/t1-/m0/s1","3-HYDROXY-L-SERINE","2000-06-06","2024-09-27","3-hydroxy-L-serine",""],["DE0","1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine","C31 H52 N10 O5","NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CCNC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC1=O)NC(N)=N)c2;c1cc2cc(c1)CNC(=O)CCNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)CCCCN)CCCCN)NC(=N)N","InChI=1S/C31H52N10O5/c32-14-4-1-10-23-28(44)36-16-6-3-12-24(41-31(34)35)29(45)37-17-13-26(42)38-20-22-9-7-8-21(18-22)19-27(43)39-25(30(46)40-23)11-2-5-15-33/h7-9,18,23-25H,1-6,10-17,19-20,32-33H2,(H,36,44)(H,37,45)(H,38,42)(H,39,43)(H,40,46)(H4,34,35,41)/t23-,24+,25-/m0/s1","","2019-07-30","2020-06-12","1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine","2020-06-17"],["WF7","N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide","C24 H28 N8 O","n4c(C)cc(Nc3cc(N1CCN(C)CC1)nc([C@H]=[C@H]c2ccc(cc2)NC(=O)/C=C)n3)n4;CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(C=Cc4ccc(NC(=O)C=C)cc4)n2;Cc1cc(n[nH]1)Nc2cc(nc(n2)C=Cc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C","InChI=1S/C24H28N8O/c1-4-24(33)25-19-8-5-18(6-9-19)7-10-20-26-21(27-22-15-17(2)29-30-22)16-23(28-20)32-13-11-31(3)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,25,33)(H2,26,27,28,29,30)/b10-7+","","2020-10-26","2024-09-27","N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide","2021-02-10"],["DE1","DECAN-1-OL","C10 H22 O","OCCCCCCCCCC;CCCCCCCCCCO;CCCCCCCCCCO","InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3","","2005-05-17","2011-06-04","decan-1-ol",""],["WF8","5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone","C15 H16 N6 O","O=C2N(N=C(c1ncnn1)C(NC(C)C)=C2)c3ccccc3;CC(C)NC1=CC(=O)N(N=C1c2n[nH]cn2)c3ccccc3;CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3","InChI=1S/C15H16N6O/c1-10(2)18-12-8-13(22)21(11-6-4-3-5-7-11)20-14(12)15-16-9-17-19-15/h3-10,18H,1-2H3,(H,16,17,19)","","2013-06-19","2014-09-05","2-phenyl-5-(propan-2-ylamino)-6-(1H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one","2013-12-18"],["DE2","1-deoxy-L-erythrulose","C4 H8 O3","O=C(C)C(O)CO;CC(=O)[CH](O)CO;CC(=O)C(CO)O","InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3/t4-/m0/s1","","2014-09-22","2015-03-13","(3S)-3,4-dihydroxybutan-2-one","2015-03-18"],["WF9","(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-5-carbamimidamidopentanoic acid (non-preferred name)","C16 H26 N9 O8 P","O=C(O)C(CCCNC(=N)N)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;NC(=N)NCCC[CH](N[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(CCCNC(=N)N)C(=O)O)O)O)O)N","InChI=1S/C16H26N9O8P/c17-12-9-13(22-5-21-12)25(6-23-9)14-11(27)10(26)8(33-14)4-32-34(30,31)24-7(15(28)29)2-1-3-20-16(18)19/h5-8,10-11,14,26-27H,1-4H2,(H,28,29)(H2,17,21,22)(H4,18,19,20)(H2,24,30,31)/t7-,8+,10+,11+,14+/m0/s1","","2023-10-02","2024-10-11","(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-5-carbamimidamidopentanoic acid (non-preferred name)","2024-10-16"],["DE3","N,N-diethyl-3-methylbenzamide","C12 H17 N O","O=C(N(CC)CC)c1cccc(c1)C;CCN(CC)C(=O)c1cccc(C)c1;CCN(CC)C(=O)c1cccc(c1)C","InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3","","2010-06-07","2011-06-04","N,N-diethyl-3-methylbenzamide",""],["WFA","1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid","C21 H30 N6 O3","c1(ccccc1N2CCC(C(O)=O)CC2)NCCCOc3c(CC)nc(nc3N)N;CCc1nc(N)nc(N)c1OCCCNc2ccccc2N3CCC(CC3)C(O)=O;CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O","InChI=1S/C21H30N6O3/c1-2-15-18(19(22)26-21(23)25-15)30-13-5-10-24-16-6-3-4-7-17(16)27-11-8-14(9-12-27)20(28)29/h3-4,6-7,14,24H,2,5,8-13H2,1H3,(H,28,29)(H4,22,23,25,26)","","2020-10-26","2021-07-02","1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid","2021-07-07"],["WFB","4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)","C21 H18 N6","N=C(N)c1ccc(cc1)c1ccc2nc([NH]c2c1)c1ccc(cc1)C(=N)N;NC(=N)c1ccc(cc1)c2ccc3nc([nH]c3c2)c4ccc(cc4)C(N)=N;c1cc(ccc1c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)C(=N)N)C(=N)N","InChI=1S/C21H18N6/c22-19(23)13-3-1-12(2-4-13)16-9-10-17-18(11-16)27-21(26-17)15-7-5-14(6-8-15)20(24)25/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)","","2022-09-06","2023-02-17","4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)","2023-02-22"],["DE4","(4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol","C18 H21 N3 O3","[O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccccc2)C1;OCc1ccc(N[CH]2CCN(C2)Cc3ccccc3)cc1[N+]([O-])=O;c1ccc(cc1)CN2CCC(C2)Nc3ccc(c(c3)[N+](=O)[O-])CO","InChI=1S/C18H21N3O3/c22-13-15-6-7-16(10-18(15)21(23)24)19-17-8-9-20(12-17)11-14-4-2-1-3-5-14/h1-7,10,17,19,22H,8-9,11-13H2/t17-/m1/s1","","2017-10-24","2024-04-25","(4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol","2018-10-03"],["WFC","(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid","C13 H12 Cl N O3","O=C(O)C1CC2C(C1)ON=C2c1ccc(Cl)cc1;OC(=O)[CH]1C[CH]2ON=C([CH]2C1)c3ccc(Cl)cc3;c1cc(ccc1C2=NOC3C2CC(C3)C(=O)O)Cl","InChI=1S/C13H12ClNO3/c14-9-3-1-7(2-4-9)12-10-5-8(13(16)17)6-11(10)18-15-12/h1-4,8,10-11H,5-6H2,(H,16,17)/t8-,10-,11+/m1/s1","","2023-05-12","2023-06-09","(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid","2023-06-14"],["DE5","2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide","C5 H7 N3 O S","NCC(=O)Nc1sccn1;c1csc(n1)NC(=O)CN","InChI=1S/C5H7N3OS/c6-3-4(9)8-5-7-1-2-10-5/h1-2H,3,6H2,(H,7,8,9)","","2018-01-15","2018-03-16","2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide","2018-03-21"],["DE6","1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C31 H52 N10 O5","C[CH]1NC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC1=O)c2)NC(N)=N;CC1C(=O)NCc2cccc(c2)CC(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=N)N)CCCCN)CCCCN","InChI=1S/C31H52N10O5/c1-20-27(43)37-19-22-10-8-9-21(17-22)18-26(42)39-24(12-3-6-15-33)30(46)40-23(11-2-5-14-32)28(44)36-16-7-4-13-25(29(45)38-20)41-31(34)35/h8-10,17,20,23-25H,2-7,11-16,18-19,32-33H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,42)(H,40,46)(H4,34,35,41)/t20-,23-,24-,25+/m0/s1","","2019-07-30","2020-06-12","1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2020-06-17"],["WFD","1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one","C27 H34 N8 O","CN1CCN(CC1)c2nc(nc(c2)Nc3cc(C)nn3)c4ccc(cc4)C5CCN(CC5)C(/C=C)=O;CN1CCN(CC1)c2cc(Nc3[nH]nc(C)c3)nc(n2)c4ccc(cc4)C5CCN(CC5)C(=O)C=C;Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C","InChI=1S/C27H34N8O/c1-4-26(36)35-11-9-21(10-12-35)20-5-7-22(8-6-20)27-29-23(28-24-17-19(2)31-32-24)18-25(30-27)34-15-13-33(3)14-16-34/h4-8,17-18,21H,1,9-16H2,2-3H3,(H2,28,29,30,31,32)","","2020-10-26","2024-09-27","1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one","2021-02-10"],["DE7","(2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol","C12 H17 N3 O3","[O-][N+](=O)c1cc(NC2CCCNC2)ccc1CO;OCc1ccc(N[CH]2CCCNC2)cc1[N+]([O-])=O;c1cc(c(cc1NC2CCCNC2)[N+](=O)[O-])CO","InChI=1S/C12H17N3O3/c16-8-9-3-4-10(6-12(9)15(17)18)14-11-2-1-5-13-7-11/h3-4,6,11,13-14,16H,1-2,5,7-8H2/t11-/m0/s1","","2017-10-24","2021-03-30","(2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol","2018-10-03"],["WFE","N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide","C20 H22 F2 N6 O","Fc1ccc(c(F)c1)C(=O)NCC4(N)CCN(c2ncnc3c2c(cn3)CC)C4;CCc1c[nH]c2ncnc(N3CC[C](N)(CNC(=O)c4ccc(F)cc4F)C3)c12;CCc1c[nH]c2c1c(ncn2)N3CCC(C3)(CNC(=O)c4ccc(cc4F)F)N","InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1","","2010-05-10","2011-06-04","N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide",""],["DE9","3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid","C30 H30 N4 O4","O=C(O)CCC5=C(c2nc5cc1c(c(c(n1)cc4nc(cc3cc(c(c2)n3)C)C(=C4)C)C)CCC(=O)O)C;Cc1cc2[nH]c1cc3nc(cc4[nH]c(cc5cc(C)c(c2)n5)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C;Cc1cc2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)C=C3C","InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,32-33H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-","deuteroporphyrin IX","2015-01-21","2020-06-17","3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid","2015-05-20"],["WFF","6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one","C18 H11 F2 N O4","Fc4ccc(C=3C(=O)OCC=3c2cc1NC(=O)COc1cc2)c(F)c4;Fc1ccc(c(F)c1)C2=C(COC2=O)c3ccc4OCC(=O)Nc4c3;c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2","InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)","","2013-08-06","2013-08-16","6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one","2013-08-21"],["DEA","D-ERITADENINE","C9 H11 N5 O4","O=C(O)C(O)C(O)Cn1c2ncnc(c2nc1)N;Nc1ncnc2n(C[CH](O)[CH](O)C(O)=O)cnc12;c1nc(c2c(n1)n(cn2)CC(C(C(=O)O)O)O)N","InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1","","1999-10-12","2011-06-04","(2R,3R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid",""],["WFG","6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one","C19 H14 F N O4","Fc4ccc(C=3C(=O)OC(C=3c2cc1c(OCC(=O)N1)cc2)C)cc4;C[CH]1OC(=O)C(=C1c2ccc3OCC(=O)Nc3c2)c4ccc(F)cc4;CC1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4","InChI=1S/C19H14FNO4/c1-10-17(12-4-7-15-14(8-12)21-16(22)9-24-15)18(19(23)25-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1","","2013-08-07","2013-08-16","6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one","2013-08-21"],["WFH","(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name)","C13 H19 N6 O8 P","O=C(O)C(C)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;C[CH](N[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;CC(C(=O)O)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H19N6O8P/c1-5(13(22)23)18-28(24,25)26-2-6-8(20)9(21)12(27-6)19-4-17-7-10(14)15-3-16-11(7)19/h3-6,8-9,12,20-21H,2H2,1H3,(H,22,23)(H2,14,15,16)(H2,18,24,25)/t5-,6+,8+,9+,12+/m0/s1","Alanyl-5'-O-adenosine phosphoramidate","2023-10-02","2024-10-11","(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name)","2024-10-16"],["DEB","6-DEOXYERYTHRONOLIDE B","C21 H38 O6","O=C1OC(C(C(O)C(C(=O)C(CC(C)C(O)C(C)C(O)C1C)C)C)C)CC;CC[CH]1OC(=O)[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)C[CH](C)C(=O)[CH](C)[CH](O)[CH]1C;CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)O)C)O)C)C)C)O)C","InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1","","1999-07-08","2011-06-04","(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione",""],["WFI","1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine","C10 H11 N3 S","NCc1sc(nc1C)c1ccncc1;Cc1nc(sc1CN)c2ccncc2;Cc1c(sc(n1)c2ccncc2)CN","InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3","","2022-09-06","2023-09-08","1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine","2023-09-13"],["DEC","SEBACIC ACID","C10 H18 O4","O=C(O)CCCCCCCCC(=O)O;OC(=O)CCCCCCCCC(O)=O;C(CCCCC(=O)O)CCCC(=O)O","InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)","","1999-07-08","2024-09-27","decanedioic acid",""],["DED","2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE","C4 H13 N O7 P2","O=P(OP(=O)(OCCN(C)C)O)(O)O;CN(C)CCO[P](O)(=O)O[P](O)(O)=O;CN(C)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8)","","2002-12-30","2011-06-04","2-(dimethylamino)ethyl trihydrogen diphosphate",""],["WFJ","1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid","C22 H30 N6 O3","CCc1c(c(N)nc(n1)N)OCC2CN(C2)c3c(cccc3)N4CCC(CC4)C(O)=O;CCc1nc(N)nc(N)c1OC[CH]2CN(C2)c3ccccc3N4CC[CH](CC4)C(O)=O;CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O","InChI=1S/C22H30N6O3/c1-2-16-19(20(23)26-22(24)25-16)31-13-14-11-28(12-14)18-6-4-3-5-17(18)27-9-7-15(8-10-27)21(29)30/h3-6,14-15H,2,7-13H2,1H3,(H,29,30)(H4,23,24,25,26)","","2020-10-26","2021-07-02","1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid","2021-07-07"],["DEE","3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","C8 H12 N2 O2","O=C(OCC)c1c(nnc1C)C;CCOC(=O)c1c(C)[nH]nc1C;CCOC(=O)c1c([nH]nc1C)C","InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)","","2004-11-23","2011-06-04","ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate",""],["WFK","(1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid","C13 H13 Cl O4","O=C(C1CC(CC1O)C(=O)O)c1ccc(Cl)cc1;O[CH]1C[CH](C[CH]1C(=O)c2ccc(Cl)cc2)C(O)=O;c1cc(ccc1C(=O)C2CC(CC2O)C(=O)O)Cl","InChI=1S/C13H13ClO4/c14-9-3-1-7(2-4-9)12(16)10-5-8(13(17)18)6-11(10)15/h1-4,8,10-11,15H,5-6H2,(H,17,18)/t8-,10-,11+/m1/s1","","2023-05-12","2023-06-09","(1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid","2023-06-14"],["DEF","DEFEROXAMINE MESYLATE FE(III) COMPLEX","C27 H49 Fe N6 O11 S","CCC(=O)[N]1CCCCCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(CCCCCNO[S](C)(=O)=O)O[Fe](O1)O2;CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C","InChI=1S/C27H49N6O11S.Fe/c1-3-25(36)31(39)20-10-4-7-17-28-23(34)13-15-26(37)32(40)21-11-5-8-18-29-24(35)14-16-27(38)33(41)22-12-6-9-19-30-44-45(2,42)43;/h30H,3-22H2,1-2H3,(H,28,34)(H,29,35);/q-3;+3","","2001-10-16","2023-09-23","",""],["WFL","5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine","C14 H23 N6 O6 P","CCCCNP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CCCCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCNP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H23N6O6P/c1-2-3-4-19-27(23,24)25-5-8-10(21)11(22)14(26-8)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,2-5H2,1H3,(H2,15,16,17)(H2,19,23,24)/t8-,10-,11-,14-/m1/s1","","2023-10-02","2024-10-11","5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine","2024-10-16"],["WFM","(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol","C22 H21 Br N6 O4","n6c5c(ccc(OC2C1OC(C(O)C1(CC2)O)n4c3ncnc(c3cc4)N)c5)cc(c6N)Br;Nc1nc2cc(O[CH]3CC[C]4(O)[CH](O)[CH](O[CH]34)n5ccc6c(N)ncnc56)ccc2cc1Br;c1cc(cc2c1cc(c(n2)N)Br)OC3CCC4(C3OC(C4O)n5ccc6c5ncnc6N)O","InChI=1S/C22H21BrN6O4/c23-13-7-10-1-2-11(8-14(10)28-19(13)25)32-15-3-5-22(31)16(30)21(33-17(15)22)29-6-4-12-18(24)26-9-27-20(12)29/h1-2,4,6-9,15-17,21,30-31H,3,5H2,(H2,25,28)(H2,24,26,27)/t15-,16-,17+,21+,22-/m0/s1","","2020-10-26","2021-04-16","(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol","2021-04-21"],["DEG","butyl alpha-D-mannopyranoside","C10 H20 O6","O(CCCC)C1OC(C(O)C(O)C1O)CO;CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;CCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9+,10+/m1/s1","BUTYL-A-D-MANNOSE; butyl alpha-D-mannoside; butyl D-mannoside; butyl mannoside","2004-02-05","2020-07-17","butyl alpha-D-mannopyranoside",""],["DEH","2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium","C19 H18 N O4","Oc4cc3c2cc1ccc(OC)c(O)c1c[n+]2CCc3cc4OC;COc1ccc2cc3c4cc(O)c(OC)cc4CC[n+]3cc2c1O;COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O","InChI=1S/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3/p+1","","2009-04-09","2011-06-04","2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium",""],["WFO","(2S)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid","C17 H16 N2 O3 S","O=C(O)C(CC)N1C=Nc2sc(C)c(c2C1=O)c1ccccc1;CC[CH](N1C=Nc2sc(C)c(c3ccccc3)c2C1=O)C(O)=O;CCC(C(=O)O)N1C=Nc2c(c(c(s2)C)c3ccccc3)C1=O","InChI=1S/C17H16N2O3S/c1-3-12(17(21)22)19-9-18-15-14(16(19)20)13(10(2)23-15)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,21,22)/t12-/m0/s1","","2023-05-12","2025-07-25","(2S)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid","2023-06-14"],["DEI","(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid","C4 H6 O3 S","O=C(O)C(O)=CSC;CSC=C(O)C(O)=O;CSC=C(C(=O)O)O","InChI=1S/C4H6O3S/c1-8-2-3(5)4(6)7/h2,5H,1H3,(H,6,7)/b3-2-","","2008-10-14","2011-06-04","(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid",""],["WFP","3,5-difluoro-L-phenylalanine","C9 H9 F2 N O2","N[CH](Cc1cc(F)cc(F)c1)C(O)=O;c1c(cc(cc1F)F)CC(C(=O)O)N","InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1","","2009-12-13","2024-12-18","(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",""],["DEJ","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","C28 H39 N5 O3 S","CC(NC(CSCC(Cc1cnc2c1cccc2)NC(OC(C)(C)C)=O)C(=O)NCc3cccnc3)C;CC(C)N[CH](CSC[CH](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3;CC(C)NC(CSCC(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3","InChI=1S/C28H39N5O3S/c1-19(2)32-25(26(34)31-15-20-9-8-12-29-14-20)18-37-17-22(33-27(35)36-28(3,4)5)13-21-16-30-24-11-7-6-10-23(21)24/h6-12,14,16,19,22,25,30,32H,13,15,17-18H2,1-5H3,(H,31,34)(H,33,35)/t22-,25-/m0/s1","","2017-10-25","2017-12-08","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate","2017-12-13"],["WFQ","(4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide","C23 H25 N7 O3","Cc1cn2ncc(NC(=O)c3cn4cc(nc4nc3OC(C)C)C34CC(C)(C3)OC4)c2nc1;CC(C)Oc1nc2nc(cn2cc1C(=O)Nc3cnn4cc(C)cnc34)C56COC(C)(C5)C6;Cc1cnc2c(cnn2c1)NC(=O)c3cn4cc(nc4nc3OC(C)C)C56CC(C5)(OC6)C","InChI=1S/C23H25N7O3/c1-13(2)33-20-15(19(31)26-16-6-25-30-7-14(3)5-24-18(16)30)8-29-9-17(27-21(29)28-20)23-10-22(4,11-23)32-12-23/h5-9,13H,10-12H2,1-4H3,(H,26,31)/t22-,23-","","2023-10-02","2024-06-21","(4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide","2024-06-26"],["WFR","propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)","C24 H30 N3 O9 P","CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(C#C)C1O;CC(C)OC(=O)[CH](C)N[P](=O)(OC[CH]1O[CH](N2C=CC(=O)NC2=O)[C](C)(C#C)[CH]1O)Oc3ccccc3;CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)C#C)O)Oc3ccccc3","InChI=1S/C24H30N3O9P/c1-6-24(5)20(29)18(35-22(24)27-13-12-19(28)25-23(27)31)14-33-37(32,36-17-10-8-7-9-11-17)26-16(4)21(30)34-15(2)3/h1,7-13,15-16,18,20,22,29H,14H2,2-5H3,(H,26,32)(H,25,28,31)/t16-,18+,20+,22+,24+,37-/m0/s1","","2022-09-06","2022-12-02","propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)","2022-12-07"],["DEL","4-DEOXYLACTOSE","C12 H22 O10","OC2C(OC1OC(CO)CC(O)C1O)C(OC(O)C2O)CO;OC[CH]1C[CH](O)[CH](O)[CH](O1)O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO;C1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)O)CO)CO","InChI=1S/C12H22O10/c13-2-4-1-5(15)7(16)12(20-4)22-10-6(3-14)21-11(19)9(18)8(10)17/h4-19H,1-3H2/t4-,5-,6+,7+,8+,9+,10+,11+,12-/m0/s1","","2000-11-30","2020-07-17","4-O-(4-deoxy-beta-D-xylo-hexopyranosyl)-beta-D-glucopyranose",""],["DEM","DECYLOXY-METHANOL","C11 H24 O2","OCOCCCCCCCCCC;CCCCCCCCCCOCO;CCCCCCCCCCOCO","InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h12H,2-11H2,1H3","","2000-03-08","2011-06-04","(decyloxy)methanol",""],["WFS","(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol","C23 H22 Br N5 O4","Nc6c(cc5ccc(OC1CCC2(C(O)C(OC12)n4c3c(c(ncn3)C)cc4)O)cc5n6)Br;Cc1ncnc2n(ccc12)[CH]3O[CH]4[CH](CC[C]4(O)[CH]3O)Oc5ccc6cc(Br)c(N)nc6c5;Cc1c2ccn(c2ncn1)C3C(C4(CCC(C4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O","InChI=1S/C23H22BrN5O4/c1-11-14-5-7-29(21(14)27-10-26-11)22-18(30)23(31)6-4-17(19(23)33-22)32-13-3-2-12-8-15(24)20(25)28-16(12)9-13/h2-3,5,7-10,17-19,22,30-31H,4,6H2,1H3,(H2,25,28)/t17-,18-,19+,22+,23-/m0/s1","","2020-10-26","2021-04-16","(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol","2021-04-21"],["WFT","3-azanyl-N-[(2S)-6-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide","C25 H29 N5 O S","Cc1ccc2c(N)c(sc2n1)C(=O)N[CH]3CCc4cc(ccc4C3)N5C[CH]6CC[CH](C5)N6;Cc1ccc2c(c(sc2n1)C(=O)NC3CCc4cc(ccc4C3)N5CC6CCC(C5)N6)N","InChI=1S/C25H29N5OS/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31)/t17-,18-,19+/m0/s1","","2023-05-12","2024-05-17","3-azanyl-~{N}-[(2~{S})-6-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide","2024-05-22"],["DEN","INDENE","C9 H8","c1cccc2c1C=CC2;C1C=Cc2ccccc12;c1ccc2c(c1)CC=C2","InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2","","1999-07-08","2011-06-04","1H-indene",""],["WFU","(2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}pentanedioic acid (non-preferred name)","C15 H21 N6 O10 P","O=C(O)C(CCC(=O)O)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[CH](CCC(O)=O)C(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(CCC(=O)O)C(=O)O)O)O)O)N","InChI=1S/C15H21N6O10P/c16-12-9-13(18-4-17-12)21(5-19-9)14-11(25)10(24)7(31-14)3-30-32(28,29)20-6(15(26)27)1-2-8(22)23/h4-7,10-11,14,24-25H,1-3H2,(H,22,23)(H,26,27)(H2,16,17,18)(H2,20,28,29)/t6-,7+,10+,11+,14+/m0/s1","Glutamyl-5'-O-adenosine phosphoramidate","2023-10-03","2024-10-11","(2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}pentanedioic acid (non-preferred name)","2024-10-16"],["DEO","2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID","C28 H25 N O6","O=C(c2ccc(c1ccc(OCC)cc1)cc2)CC(C(=O)O)CCN4C(=O)c3ccccc3C4=O;CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[CH](CCN3C(=O)c4ccccc4C3=O)C(O)=O;CCOc1ccc(cc1)c2ccc(cc2)C(=O)CC(CCN3C(=O)c4ccccc4C3=O)C(=O)O","InChI=1S/C28H25NO6/c1-2-35-22-13-11-19(12-14-22)18-7-9-20(10-8-18)25(30)17-21(28(33)34)15-16-29-26(31)23-5-3-4-6-24(23)27(29)32/h3-14,21H,2,15-17H2,1H3,(H,33,34)/t21-/m0/s1","","2003-12-08","2011-06-04","(2S)-2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-(4'-ethoxybiphenyl-4-yl)-4-oxobutanoic acid",""],["WFV","(1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol","C24 H23 F3 N6 O2","n1cnc2c(c1N)c(cn2C3CC4C(CCC4(C3O)O)Cc5cc6c(c(c5)F)cc(c(n6)N)F)F;Nc1nc2cc(C[CH]3CC[C]4(O)[CH](O)[CH](C[CH]34)n5cc(F)c6c(N)ncnc56)cc(F)c2cc1F;c1c(cc(c2c1nc(c(c2)F)N)F)CC3CCC4(C3CC(C4O)n5cc(c6c5ncnc6N)F)O","InChI=1S/C24H23F3N6O2/c25-14-4-10(5-17-12(14)6-15(26)21(28)32-17)3-11-1-2-24(35)13(11)7-18(20(24)34)33-8-16(27)19-22(29)30-9-31-23(19)33/h4-6,8-9,11,13,18,20,34-35H,1-3,7H2,(H2,28,32)(H2,29,30,31)/t11-,13+,18+,20-,24+/m0/s1","","2020-10-26","2021-04-16","(1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol","2021-04-21"],["DEP","DIETHYL PHOSPHONATE","C4 H11 O3 P","O=P(OCC)OCC;CCO[PH](=O)OCC;CCOP(=O)OCC","InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3","","1999-07-08","2024-09-27","diethyl phosphonate",""],["DEQ","DEQUALINIUM","C30 H40 N4","c12ccccc1c(cc([n+]2CCCCCCCCCC[n+]4c3ccccc3c(N)cc4C)C)N;Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34;Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N","InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2","DEQUADIN","2001-08-30","2020-06-17","1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium)",""],["WFW","benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate","C24 H26 N8 O5","O=C(OCc1ccccc1)NC(C)(C)C1=NC(=O)C(O)=C(N1)C(=O)NCCn1ccc2c(N)ncnc21;CC(C)(NC(=O)OCc1ccccc1)C2=NC(=O)C(=C(N2)C(=O)NCCn3ccc4c(N)ncnc34)O;CC(C)(C1=NC(=O)C(=C(N1)C(=O)NCCn2ccc3c2ncnc3N)O)NC(=O)OCc4ccccc4","InChI=1S/C24H26N8O5/c1-24(2,31-23(36)37-12-14-6-4-3-5-7-14)22-29-16(17(33)21(35)30-22)20(34)26-9-11-32-10-8-15-18(25)27-13-28-19(15)32/h3-8,10,13,33H,9,11-12H2,1-2H3,(H,26,34)(H,31,36)(H2,25,27,28)(H,29,30,35)","","2022-09-07","2022-09-30","benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate","2022-10-05"],["WFX","4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid","C20 H19 F2 N3 O5 S","O=C(O)C=1COCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1;OC(=O)C1=C(CCOC1)C(=O)Nc2sc3CC(F)(F)CCc3c2c4onc(n4)C5CC5;C1CC(Cc2c1c(c(s2)NC(=O)C3=C(COCC3)C(=O)O)c4nc(no4)C5CC5)(F)F","InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)10-4-6-29-8-12(10)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)","","2023-05-12","2023-06-09","4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid","2023-06-14"],["DER","D-4-PHOSPHOERYTHRONIC ACID","C4 H9 O8 P","O=P(O)(O)OCC(O)C(O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)OP(=O)(O)O","InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1","","2002-05-01","2011-06-04","(2R,3S)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid",""],["WFY","4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide","C15 H18 Cl F N4 O","Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F;C[CH](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C]3(F)CCNC3;Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)C(C)C3(CCNC3)F","InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1","","2020-10-27","2020-10-30","4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide","2020-11-04"],["DES","DIETHYLSTILBESTROL","C18 H20 O2","Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2;CCC(c1ccc(O)cc1)=C(CC)c2ccc(O)cc2;CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+","","1999-07-08","2011-06-04","4,4'-(3E)-hex-3-ene-3,4-diyldiphenol",""],["WFZ","2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid","C16 H12 N4 O4 S2","COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C;COC(=O)c1csc(n1)c2ccc(c(n2)c3csc(n3)C(=C)N)C(=O)O","InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22)","","2023-10-03","2024-09-27","2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid","2024-03-27"],["DET","UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE","C13 H29 N O","[O-][N+](CCCCCCCCCCC)(C)C;CCCCCCCCCCC[N+](C)(C)[O-];CCCCCCCCCCC[N+](C)(C)[O-]","InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3","","1999-07-08","2011-06-04","dimethyl(undecyl)amine oxide",""],["WG0","[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid","C19 H17 Cl N4 O2 S","O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21;Cc1sc2n3c(C)nnc3[CH](CC(O)=O)N=C(c4ccc(Cl)cc4)c2c1C;Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)O)c4ccc(cc4)Cl)C","InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1","","2022-09-07","2024-09-27","[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid","2023-10-04"],["DEU","CO(III)-(DEUTEROPORPHYRIN IX)","C30 H28 Co N4 O4","O=C(O)CCC1=C(c4[n+]3C1=Cc8c(c(c7cc2C(=CC6=[n+]2[Co+3]3(n5c(c4)C=C(C5=C6)C)n78)C)C)CCC(=O)O)C;CC1=CC2=CC3=[N+]4C(=Cc5n6c(C=C7C(=CC8=[N+]7[Co+3]46[N]2C1=C8)C)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O;Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O","InChI=1S/C30H30N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+7/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;","","2002-02-26","2026-01-08","[3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]cobalt(5+)",""],["DEV","tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C29 H36 N4 O3 S","c1c(cccc1)NC(C(NCc2cnccc2)=O)CSCC(Cc3ccccc3)NC(OC(C)(C)C)=O;CC(C)(C)OC(=O)N[CH](CSC[CH](Nc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCC(C(=O)NCc2cccnc2)Nc3ccccc3","InChI=1S/C29H36N4O3S/c1-29(2,3)36-28(35)33-25(17-22-11-6-4-7-12-22)20-37-21-26(32-24-14-8-5-9-15-24)27(34)31-19-23-13-10-16-30-18-23/h4-16,18,25-26,32H,17,19-21H2,1-3H3,(H,31,34)(H,33,35)/t25-,26+/m0/s1","","2017-10-25","2017-12-08","tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2017-12-13"],["WG1","6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","C20 H27 F2 N5 O4 S","c2nc(NC1CCN(CC1)S(C)(=O)=O)nc3c2C=C(C(N3C4CCCC4(C)O)=O)C(F)F;C[C]1(O)CCC[CH]1N2C(=O)C(=Cc3cnc(NC4CCN(CC4)[S](C)(=O)=O)nc23)C(F)F;CC1(CCCC1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O","InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1","","2020-10-27","2021-06-18","6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one","2021-06-23"],["WG3","2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C18 H17 N3 O4","O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1;OC(=O)C1=C(CCC1)C(=O)Nc2ccccc2c3onc(n3)C4CC4;c1ccc(c(c1)c2nc(no2)C3CC3)NC(=O)C4=C(CCC4)C(=O)O","InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24)","","2023-05-12","2023-06-09","2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["DEW","2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone","C9 H12 N2 O S","NCC(=O)N1CCc2sccc2C1;c1csc2c1CN(CC2)C(=O)CN","InChI=1S/C9H12N2OS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6,10H2","","2018-01-16","2018-03-16","2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone","2018-03-21"],["WG4","N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide","C20 H25 N7 O S","CC(=O)Nc1sc(cn1)CN5CCC2(CN(CC2)c4cc(C)n3ccnc3n4)C5;CC(=O)Nc1sc(CN2CC[C]3(CCN(C3)c4cc(C)n5ccnc5n4)C2)cn1;Cc1cc(nc2n1ccn2)N3CCC4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C","InChI=1S/C20H25N7OS/c1-14-9-17(24-18-21-5-8-27(14)18)26-7-4-20(13-26)3-6-25(12-20)11-16-10-22-19(29-16)23-15(2)28/h5,8-10H,3-4,6-7,11-13H2,1-2H3,(H,22,23,28)/t20-/m0/s1","","2020-10-28","2020-11-27","N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide","2020-12-02"],["DEX","DEXAMETHASONE","C22 H29 F O5","O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)C=C1)CCC4C2CC3C)C)C;C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO;CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C","InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1","9A-FLUORO-16BETA-METHYLPREDNISOLONE","2002-07-19","2020-06-17","(11alpha,14beta,16alpha,17alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",""],["DEY","(2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia\ndiazin-7-yl}oxy)propanamide","C23 H25 N5 O6 S2","O=C(N)C(Oc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)CCC(C)C)c4sccc4)C;CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(O[CH](C)C(N)=O)cc3[S](=O)(=O)N2)O)c4sccc4;CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC(C)C(=O)N","InChI=1S/C23H25N5O6S2/c1-12(2)8-9-28-23(31)18(20(29)19(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-13(3)21(24)30)11-17(15)36(32,33)27-22/h4-7,10-13,29H,8-9H2,1-3H3,(H2,24,30)(H,25,27)/t13-/m1/s1","(2R)-2-({3-[5-HYDROXY-2-(3-METHYLBUTYL)-3-OXO-6-THIOPHEN-2-YL-2,3-DIHYDROPYRIDAZIN-4-YL]-1,1-DIOXO-2H-1,2,4-BENZOTHIADI\nAZIN-7-YL}OXY)PROPANAMIDE","2008-01-02","2020-06-17","(2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)propanamide",""],["WG5","4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid","C18 H10 F3 N O3 S2","S=C1SC(=C/c2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F;OC(=O)c1ccc(cc1)C=C2SC(=S)N(C2=O)c3cccc(c3)C(F)(F)F;c1cc(cc(c1)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=S)C(F)(F)F","InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-","","2023-10-03","2024-02-16","4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid","2024-02-21"],["DEZ","4-PHOSPHO-D-ERYTHRONATE","C4 H9 O8 P","O=P(O)(O)OCC(O)C(O)C(=O)O;O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O;C(C(C(C(=O)O)O)O)OP(=O)(O)O","InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1","","2004-11-30","2011-06-04","(2R,3R)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid",""],["WG6","Sofosbuvir","C22 H29 F N3 O9 P","CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(F)C1O;CC(C)OC(=O)[CH](C)N[P](=O)(OC[CH]1O[CH](N2C=CC(=O)NC2=O)[C](C)(F)[CH]1O)Oc3ccccc3;CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)Oc3ccccc3","InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1","","2022-09-08","2022-12-02","propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)","2022-12-07"],["DF0","(2-fluorobiphenyl-4-yl)acetic acid","C14 H11 F O2","Fc2cc(ccc2c1ccccc1)CC(=O)O;OC(=O)Cc1ccc(c(F)c1)c2ccccc2;c1ccc(cc1)c2ccc(cc2F)CC(=O)O","InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)","Des-methylflurbiprofen","2012-06-29","2021-03-01","(2-fluorobiphenyl-4-yl)acetic acid","2012-08-24"],["WG7","(3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid","C10 H15 N4 O4 P","C(CCNCc2cnc1C(NC=Nc12)=O)P(O)(O)=O;O[P](O)(=O)CCCNCc1c[nH]c2C(=O)NC=Nc12;c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O","InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18)","","2020-10-29","2021-04-30","(3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid","2021-05-05"],["WG8","(4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","C13 H10 N2 O3 S","O=C(O)C1N=C(SC1)c2nc3c(cc2)cccc3O;OC(=O)[CH]1CSC(=N1)c2ccc3cccc(O)c3n2;c1cc2ccc(nc2c(c1)O)C3=NC(CS3)C(=O)O","InChI=1S/C13H10N2O3S/c16-10-3-1-2-7-4-5-8(14-11(7)10)12-15-9(6-19-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m1/s1","","2014-05-05","2015-03-13","(4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","2015-03-18"],["DF1","(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL","C21 H20 N4 O","n1c3c(c(nc1)NCC(O)C)c(c(c2ccccc2)n3)c4ccccc4;C[CH](O)CNc1ncnc2[nH]c(c3ccccc3)c(c4ccccc4)c12;CC(CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O","InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)/t14-/m1/s1","","2005-05-09","2011-06-04","(2R)-1-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol",""],["WGA","(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol","C11 H15 F N2 O","c2ccnc(N1CC(C(C)(C1)C)O)c2F;CC1(C)CN(C[CH]1O)c2ncccc2F;CC1(CN(CC1O)c2c(cccn2)F)C","InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1","","2020-10-29","2020-11-20","(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol","2020-11-25"],["DF2","(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL","C21 H20 N4 O2","n1c3c(c(nc1)NCC(O)CO)c(c(c2ccccc2)n3)c4ccccc4;OC[CH](O)CNc1ncnc2[nH]c(c3ccccc3)c(c4ccccc4)c12;c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCC(CO)O","InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)/t16-/m1/s1","","2005-05-09","2011-06-04","(2R)-3-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,2-diol",""],["WGB","N-methyl-4-nitro-L-phenylalanine","C10 H12 N2 O4","O=[N+]([O-])c1ccc(CC(NC)C(=O)O)cc1;CN[CH](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O;CNC(Cc1ccc(cc1)[N+](=O)[O-])C(=O)O","InChI=1S/C10H12N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m0/s1","","2023-10-03","2026-04-06","N-methyl-4-nitro-L-phenylalanine","2024-03-27"],["DF3","N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide","C28 H24 F3 N3 O4 S","FC(F)(F)c1cccc(c1)C(=O)NCCn5c2ccccc2c(SCC(=O)Nc3ccc4OCCOc4c3)c5;FC(F)(F)c1cccc(c1)C(=O)NCCn2cc(SCC(=O)Nc3ccc4OCCOc4c3)c5ccccc25;c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5","InChI=1S/C28H24F3N3O4S/c29-28(30,31)19-5-3-4-18(14-19)27(36)32-10-11-34-16-25(21-6-1-2-7-22(21)34)39-17-26(35)33-20-8-9-23-24(15-20)38-13-12-37-23/h1-9,14-16H,10-13,17H2,(H,32,36)(H,33,35)","","2009-09-04","2011-06-04","N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide",""],["DF4","(3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate","C11 H16 F N O8","[O-]C(=O)C1=[O+]C(C(NC(=O)C)C(O)C1F)C(O)C(O)CO;CC(=O)N[CH]1[CH](O)[CH](F)C(=[O+][CH]1[CH](O)[CH](O)CO)C([O-])=O;CC(=O)NC1C(C(C(=[O+]C1C(C(CO)O)O)C(=O)[O-])F)O","InChI=1S/C11H16FNO8/c1-3(15)13-6-8(18)5(12)9(11(19)20)21-10(6)7(17)4(16)2-14/h4-8,10,14,16-18H,2H2,1H3,(H-,13,15,19,20)/t4-,5-,6-,7-,8+,10-/m1/s1","","2014-12-05","2015-09-11","(3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate (non-preferred name)","2015-09-16"],["WGD","1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine","C10 H16 F N3 S","n1c(C)scc1CN2CC(F)CC2CN;Cc1scc(CN2C[CH](F)C[CH]2CN)n1;Cc1nc(cs1)CN2CC(CC2CN)F","InChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1","","2020-10-29","2020-11-20","1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine","2020-11-25"],["DF5","6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium","C17 H15 N2 O4 S","O=S(=O)(N)c1ccc(cc1)C(=O)[n+]2cccc3c2ccc(c3)OC;COc1ccc2c(ccc[n+]2C(=O)c3ccc(cc3)[S](N)(=O)=O)c1;COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N","InChI=1S/C17H15N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h2-11H,1H3,(H2,18,21,22)/q+1","","2015-03-27","2015-08-21","6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium","2015-08-26"],["WGE","benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate","C24 H33 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2CC3(CCCC3)CN2C(=O)OCc4ccccc4;c1ccc(cc1)COC(=O)N2CC3(CCCC3)CC2C(=O)NC(CC4CCNC4=O)CO","InChI=1S/C24H33N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,18-20,28H,4-5,8-16H2,(H,25,29)(H,26,30)/t18-,19-,20-/m0/s1","","2023-05-12","2024-09-27","benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate","2023-08-30"],["DF6","N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide","C26 H23 N3 O4 S","O=C(NC(=S)Nc3ccc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)Cc4ccccc4;COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC;COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4","InChI=1S/C26H23N3O4S/c1-31-23-15-20-21(16-24(23)32-2)27-13-12-22(20)33-19-10-8-18(9-11-19)28-26(34)29-25(30)14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,28,29,30,34)","","2012-08-21","2013-08-09","N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide","2013-08-14"],["WGF","3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide","C26 H29 F2 N7 O3","CCC(=O)N1CC(CC1COC)n1nc(C#Cc2c(F)cc3n(cnc3c2F)C2CC2)c(c1NC)C(N)=O;CCC(=O)N1C[CH](C[CH]1COC)n2nc(C#Cc3c(F)cc4n(cnc4c3F)C5CC5)c(C(N)=O)c2NC;CCC(=O)N1CC(CC1COC)n2c(c(c(n2)C#Cc3c(cc4c(c3F)ncn4C5CC5)F)C(=O)N)NC","InChI=1S/C26H29F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h10,13-16,30H,4-6,9,11-12H2,1-3H3,(H2,29,37)/t15-,16+/m0/s1","KIN-3248","2023-10-03","2024-09-27","3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide","2024-02-07"],["DF7","[4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol","C20 H22 N4 O3","[O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2c[NH]c3ccccc23)C1;OCc1ccc(N[CH]2CCN(C2)Cc3c[nH]c4ccccc34)cc1[N+]([O-])=O;c1ccc2c(c1)c(c[nH]2)CN3CCC(C3)Nc4ccc(c(c4)[N+](=O)[O-])CO","InChI=1S/C20H22N4O3/c25-13-14-5-6-16(9-20(14)24(26)27)22-17-7-8-23(12-17)11-15-10-21-19-4-2-1-3-18(15)19/h1-6,9-10,17,21-22,25H,7-8,11-13H2/t17-/m1/s1","","2017-10-25","2024-04-25","[4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol","2018-10-03"],["WGG","N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide","C17 H15 N3 O3","O=C(C2=Nc1c(cccc1)C(=O)N2)NCc3cccc(OC)c3;COc1cccc(CNC(=O)C2=Nc3ccccc3C(=O)N2)c1;COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2","InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)","","2013-01-22","2014-09-19","N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide","2014-09-24"],["WGH","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone","C17 H11 I3 O3","CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3;CCc1c(c2c(o1)cccc2I)C(=O)c3cc(c(c(c3)I)O)I","InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3","","2023-10-03","2024-05-10","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone","2024-05-15"],["DF8","(2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","C10 H15 N7 O4","NNc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O;c1nc(c2c(n1)n(c(n2)NN)C3C(C(C(O3)CO)O)O)N","InChI=1S/C10H15N7O4/c11-7-4-8(14-2-13-7)17(10(15-4)16-12)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H,15,16)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1","NEOMYCIN A; NEAMINE","2018-01-17","2020-05-27","(2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","2019-01-30"],["WGI","benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate","C25 H35 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1;OC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2CC3(CCCCC3)CN2C(=O)OCc4ccccc4;c1ccc(cc1)COC(=O)N2CC3(CCCCC3)CC2C(=O)NC(CC4CCNC4=O)CO","InChI=1S/C25H35N3O5/c29-15-20(13-19-9-12-26-22(19)30)27-23(31)21-14-25(10-5-2-6-11-25)17-28(21)24(32)33-16-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,29H,2,5-6,9-17H2,(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1","","2023-05-12","2024-09-27","benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate","2023-08-30"],["DF9","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol","C19 H23 N5 O S","S(Cc1ccccc1)CC4CN(Cc3cnc2c3ncnc2N)CC4O;Nc1ncnc2c(CN3C[CH](O)[CH](CSCc4ccccc4)C3)c[nH]c12;c1ccc(cc1)CSCC2CN(CC2O)Cc3c[nH]c4c3ncnc4N","InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)/t15-,16+/m1/s1","","2008-06-12","2011-06-04","(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol",""],["WGJ","[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone","C17 H10 Cl2 I2 O3","CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3;CCc1c(c2c(ccc(c2o1)Cl)Cl)C(=O)c3cc(c(c(c3)I)O)I","InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3","","2023-10-03","2024-05-10","[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone","2024-05-15"],["DFA","DIPHENYLACETIC ACID","C14 H12 O2","O=C(O)C(c1ccccc1)c2ccccc2;OC(=O)C(c1ccccc1)c2ccccc2;c1ccc(cc1)C(c2ccccc2)C(=O)O","InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)","","2001-09-25","2011-06-04","diphenylacetic acid",""],["DFB","2,3-DIFLUOROBENZYL ALCOHOL","C7 H6 F2 O","Fc1c(cccc1F)CO;OCc1cccc(F)c1F;c1cc(c(c(c1)F)F)CO","InChI=1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2","","2002-08-16","2011-06-04","(2,3-difluorophenyl)methanol",""],["WGK","ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate","C20 H26 N2 O4","O=C(OCC)C1CCN(CC1)c1nc2cc(OC)cc(OC)c2c(C)c1;CCOC(=O)C1CCN(CC1)c2cc(C)c3c(OC)cc(OC)cc3n2;CCOC(=O)C1CCN(CC1)c2cc(c3c(n2)cc(cc3OC)OC)C","InChI=1S/C20H26N2O4/c1-5-26-20(23)14-6-8-22(9-7-14)18-10-13(2)19-16(21-18)11-15(24-3)12-17(19)25-4/h10-12,14H,5-9H2,1-4H3","","2022-09-08","2023-02-24","ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate","2023-03-01"],["DFC","2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE","C9 H14 N3 O7 P","O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1/f/h15-16H,10H2","","2000-09-25","2009-07-27","4-amino-1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one",""],["WGL","1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione","C12 H18 N2 O2 S","CCSC1=NC(=O)CC(=O)N1C1CCCCC1;CCSC1=NC(=O)CC(=O)N1C2CCCCC2;CCSC1=NC(=O)CC(=O)N1C2CCCCC2","InChI=1S/C12H18N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3","","2023-05-12","2023-06-09","1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione","2023-06-14"],["WGM","(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol","C11 H15 F N2 O","n1cccc(c1N2CC(O)C(C)(C2)C)F;CC1(C)CN(C[CH]1O)c2ncccc2F;CC1(CN(CC1O)c2c(cccn2)F)C","InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1","","2020-10-30","2020-11-06","(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol","2020-11-11"],["DFD","DECYL FORMATE","C11 H22 O2","O=COCCCCCCCCCC;CCCCCCCCCCOC=O;CCCCCCCCCCOC=O","InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h11H,2-10H2,1H3","","2007-07-26","2024-09-27","decyl formate",""],["DFE","2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE","C4 H5 F5 O","2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane;CC(F)(F)OCC(F)(F)F;CC(OCC(F)(F)F)(F)F","InChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3","","2006-05-11","2024-09-27","1,1-difluoroethyl 2,2,2-trifluoroethyl ether",""],["WGN","(2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid","C17 H34 O2 S","CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O;CCCCCCCCCCCCSC(C)C(C)C(=O)O","InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16-/m1/s1","","2023-10-04","2024-10-04","(2~{S},3~{R})-3-dodecylsulfanyl-2-methyl-butanoic acid","2024-10-09"],["DFF","4-benzoyl-D-phenylalanine","C16 H15 N O3","O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2;N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O;c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N","InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1","","2013-12-24","2024-09-27","4-benzoyl-D-phenylalanine","2014-05-21"],["WGO","N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide","C24 H36 F N3 O9 S","CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Oc2ccc(cc2)F","InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1","","2022-09-08","2024-09-27","(1R,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-14"],["DFG","2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m1/s1/f/h14,18-19H,11H2","","2000-09-26","2009-07-27","2-amino-9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one",""],["WGP","N,N-dimethyl-N~2~-phenylglycinamide","C10 H14 N2 O","N(CC(N(C)C)=O)c1ccccc1;CN(C)C(=O)CNc1ccccc1;CN(C)C(=O)CNc1ccccc1","InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3","","2020-10-30","2020-11-06","N,N-dimethyl-N~2~-phenylglycinamide","2020-11-11"],["WGQ","(5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione","C11 H10 Cl N3 S","Clc1cccc(c1)C1=NNC(=S)N1CC=C;Clc1cccc(c1)C2=NNC(=S)N2CC=C;C=CCN1C(=NNC1=S)c2cccc(c2)Cl","InChI=1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)","","2023-05-12","2023-06-09","(5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione","2023-06-14"],["DFH","1,1-diphenylethanol","C14 H14 O","OC(c1ccccc1)(c2ccccc2)C;CC(O)(c1ccccc1)c2ccccc2;CC(c1ccccc1)(c2ccccc2)O","InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3","","2012-05-25","2012-07-06","1,1-diphenylethanol",""],["DFI","2,2-DIFLUOROSTATINE","C8 H15 F2 N O3","FC(F)(C(=O)O)C(O)C(N)CC(C)C;CC(C)C[CH](N)[CH](O)C(F)(F)C(O)=O;CC(C)CC(C(C(C(=O)O)(F)F)O)N","InChI=1S/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m0/s1","","1999-07-08","2024-09-27","(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-6-methylheptanoic acid",""],["WGR","dideoxymycobactin-838","C47 H75 N5 O8","O=C(NC(CCCCNC(=O)/C=CCCCCCCCCCCCCCCCCC)C(=O)OC(C)CC(=O)NC1CCCCNC1=O)C1(C)N=C(OC1)c1ccccc1O;CCCCCCCCCCCCCCCCCC=CC(=O)NCCCC[CH](NC(=O)[C]1(C)COC(=N1)c2ccccc2O)C(=O)O[CH](C)CC(=O)N[CH]3CCCCNC3=O;CCCCCCCCCCCCCCCCCC=CC(=O)NCCCCC(C(=O)OC(C)CC(=O)NC1CCCCNC1=O)NC(=O)C2(COC(=N2)c3ccccc3O)C","InChI=1S/C47H75N5O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-41(54)48-32-25-24-29-39(45(57)60-36(2)34-42(55)50-38-28-23-26-33-49-43(38)56)51-46(58)47(3)35-59-44(52-47)37-27-21-22-30-40(37)53/h20-22,27,30-31,36,38-39,53H,4-19,23-26,28-29,32-35H2,1-3H3,(H,48,54)(H,49,56)(H,50,55)(H,51,58)/b31-20-/t36-,38+,39+,47+/m1/s1","(2R)-4-oxo-4-{[(3S)-2-oxoazepan-3-yl]amino}butan-2-yl N~2~-[(4S)-2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]-N~6~-[(2Z)-icos-2-enoyl]-L-lysinate","2021-08-27","2022-05-13","(2R)-4-oxo-4-{[(3S)-2-oxoazepan-3-yl]amino}butan-2-yl N~2~-[(4S)-2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]-N~6~-[(2Z)-icos-2-enoyl]-L-lysinate","2022-05-18"],["DFJ","N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE","C28 H29 F4 N3 O9 P2","FC(F)(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)Cc3ccccc3)P(=O)(O)O;NC(=O)[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)NC(=O)[CH](Cc2ccccc2)NC(=O)Cc3ccc(cc3)C(F)(F)[P](O)(O)=O;c1ccc(cc1)CC(C(=O)NC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O","InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1","","2006-05-21","2011-06-04","N-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide",""],["WGS","3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine","C11 H15 F N2 O","N(c1c(F)cccn1)CC2CCOCC2;Fc1cccnc1NCC2CCOCC2;c1cc(c(nc1)NCC2CCOCC2)F","InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)","","2020-10-30","2020-11-06","3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine","2020-11-11"],["DFK","D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE","C21 H34 N6 O3","O=C(NC(CCCNC(=[N@H])N)C(O)C)C2N(C(=O)C(N)Cc1ccccc1)CCC2;C[CH](O)[CH](CCCNC(N)=N)NC(=O)[CH]1CCCN1C(=O)[CH](N)Cc2ccccc2;[H]N=C(N)NCCCC(C(C)O)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)N","InChI=1S/C21H34N6O3/c1-14(28)17(9-5-11-25-21(23)24)26-19(29)18-10-6-12-27(18)20(30)16(22)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18,28H,5-6,9-13,22H2,1H3,(H,26,29)(H4,23,24,25)/t14?,16-,17+,18+/m1/s1","D-PHENYLALANYL-PROLYL-ARGINYL-CHLOROMETHANE","2006-02-03","2024-09-27","D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(1R)-1-hydroxyethyl]butyl}-L-prolinamide",""],["WGT","ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate","C11 H11 N O2 S2","CCOC(=O)c1c(csc1N)c2sccc2;CCOC(=O)c1c(N)scc1c2sccc2;CCOC(=O)c1c(csc1N)c2cccs2","InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-7(6-16-10(9)12)8-4-3-5-15-8/h3-6H,2,12H2,1H3","","2016-03-16","2016-03-18","ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate","2016-03-23"],["WGU","(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H36 F N3 O9 S","CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Oc2ccc(cc2)F","InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1","","2022-09-08","2024-09-27","(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-14"],["DFL","2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE","C15 H12 O3","O=C2c3c(OC(c1ccc(O)cc1)C2)cccc3;Oc1ccc(cc1)[CH]2CC(=O)c3ccccc3O2;c1ccc2c(c1)C(=O)CC(O2)c3ccc(cc3)O","InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1","4'-HYDROXYFLAVANONE","2001-06-28","2020-06-17","(2S)-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",""],["DFM","N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE","C21 H24 F2 N3 O6 P","FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccccc2)P(=O)(O)O;CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)C(N)=O;CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N","InChI=1S/C21H24F2N3O6P/c1-13(27)25-18(12-14-5-3-2-4-6-14)20(29)26-17(19(24)28)11-15-7-9-16(10-8-15)21(22,23)33(30,31)32/h2-10,17-18H,11-12H2,1H3,(H2,24,28)(H,25,27)(H,26,29)(H2,30,31,32)/t17-,18-/m0/s1","DIFLUOROMETHYLPHOSPHONIC ACID ANALOG","2006-05-04","2020-06-17","N-acetyl-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide",""],["WGV","1-(3-phenylprop-2-yn-1-yl)piperidine","C14 H17 N","c1ccccc1C#CCN2CCCCC2;C1CCN(CC1)CC#Cc2ccccc2;c1ccc(cc1)C#CCN2CCCCC2","InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2","","2020-10-30","2020-11-06","1-(3-phenylprop-2-yn-1-yl)piperidine","2020-11-11"],["WGW","N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide","C12 H9 Cl2 N3 O3","O=C1N=C(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N1;Clc1ccc(NC(=O)CC2=NC(=O)NC(=O)C2)c(Cl)c1;c1cc(c(cc1Cl)Cl)NC(=O)CC2=NC(=O)NC(=O)C2","InChI=1S/C12H9Cl2N3O3/c13-6-1-2-9(8(14)3-6)16-10(18)4-7-5-11(19)17-12(20)15-7/h1-3H,4-5H2,(H,16,18)(H,17,19,20)","","2023-05-12","2023-06-09","N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide","2023-06-14"],["DFN","3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE","C22 H20 F N3 O4","O=C4C(c1cccc(NCC(O)CO)c1)=C(c3c2cc(F)ccc2n(c3)C)C(=O)N4;Cn1cc(c2cc(F)ccc12)C3=C(C(=O)NC3=O)c4cccc(NC[CH](O)CO)c4;Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NCC(CO)O","InChI=1S/C22H20FN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30)/t15-/m0/s1","","2003-09-21","2011-06-04","3-(3-{[(2S)-2,3-dihydroxypropyl]amino}phenyl)-4-(5-fluoro-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione",""],["DFO","2,2-DIFLUORO-3-HYDROSTATINE","C8 H15 F2 N O4","FC(F)(C(=O)O)C(O)(O)C(N)CC(C)C;CC(C)C[CH](N)C(O)(O)C(F)(F)C(O)=O;CC(C)CC(C(C(C(=O)O)(F)F)(O)O)N","InChI=1S/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1","","1999-07-08","2024-09-27","(4S)-4-amino-2,2-difluoro-3,3-dihydroxy-6-methylheptanoic acid",""],["WGX","~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide","C25 H30 N4 O4 S","CN1C(=O)C(=O)N(C)c2cc(N3CCCCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12;CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5","InChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3","","2017-01-18","2018-02-09","~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide","2018-02-14"],["WGY","N-(4-sulfamoylphenyl)propanamide","C9 H12 N2 O3 S","NS(c1ccc(cc1)NC(=O)CC)(=O)=O;CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O;CCC(=O)Nc1ccc(cc1)S(=O)(=O)N","InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)","","2020-10-30","2020-11-06","N-(4-sulfamoylphenyl)propanamide","2020-11-11"],["DFP","DIISOPROPYL PHOSPHONATE","C6 H15 O3 P","O=P(OC(C)C)OC(C)C;CC(C)O[PH](=O)OC(C)C;CC(C)OP(=O)OC(C)C","InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3","","1999-07-08","2024-09-27","bis(1-methylethyl) phosphonate",""],["WGZ","5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE","C27 H27 F3 N4 O3 S","FC(F)(F)c1ccccc1C(Oc5c(sc(n4cnc3ccc(OC2CCN(C)CC2)cc34)c5)C(=O)N)C;C[CH](Oc1cc(sc1C(N)=O)n2cnc3ccc(OC4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F;CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C","InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1","","2010-08-05","2011-06-04","5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide",""],["DFQ","(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide","C21 H17 Cl2 F N2 O2","Clc1ccc(F)c(Cl)c1C(Oc2ccc3ncc(cc3c2)C=CC(=O)NC)C;CNC(=O)C=Cc1cnc2ccc(O[CH](C)c3c(Cl)ccc(F)c3Cl)cc2c1;CC(c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)C=CC(=O)NC","InChI=1S/C21H17Cl2FN2O2/c1-12(20-16(22)5-6-17(24)21(20)23)28-15-4-7-18-14(10-15)9-13(11-26-18)3-8-19(27)25-2/h3-12H,1-2H3,(H,25,27)/b8-3+/t12-/m1/s1","(E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-quinolin-3-yl}-n-methyl-acrylamide","2009-07-14","2020-06-17","(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide",""],["DFR","3-deoxy-3-methyl-beta-D-fructofuranose","C7 H14 O5","OCC1(O)OC(C(O)C1C)CO;C[CH]1[CH](O)[CH](CO)O[C]1(O)CO;CC1C(C(OC1(CO)O)CO)O","InChI=1S/C7H14O5/c1-4-6(10)5(2-8)12-7(4,11)3-9/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1","3-DEOXY-3-METHYL-D-FRUCTOSE; 3-deoxy-3-methyl-beta-D-fructose; 3-deoxy-3-methyl-fructose","1999-07-08","2024-09-27","3-deoxy-3-methyl-beta-D-fructofuranose",""],["WH0","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone","C17 H10 F2 I2 O3","CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3;CCc1c(c2c(ccc(c2o1)F)F)C(=O)c3cc(c(c(c3)I)O)I","InChI=1S/C17H10F2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3","","2023-10-03","2024-05-10","[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone","2024-05-15"],["DFS","2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide","C16 H15 F2 N5 O3 S","O=S(=O)(Nc1ccc(F)c(c1F)C(=O)Nc2cc3c(nc2)ncn3)CCC;CCC[S](=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc[nH]c3c2)c1F;CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F","InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-11-4-3-10(17)13(14(11)18)16(24)22-9-6-12-15(19-7-9)21-8-20-12/h3-4,6-8,23H,2,5H2,1H3,(H,22,24)(H,19,20,21)","","2013-08-27","2013-09-27","2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide","2013-10-02"],["WH1","N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide","C15 H16 N2 O","n1c(cccc1)CCN(C(=O)c2ccccc2)C;CN(CCc1ccccn1)C(=O)c2ccccc2;CN(CCc1ccccn1)C(=O)c2ccccc2","InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3","","2020-10-30","2020-11-06","N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide","2020-11-11"],["WH2","N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine","C22 H30 N2 O2 S","COc1ccsc1CNCCC1(CC2(CCCC2)OCC1)c1ccccn1;COc1ccsc1CNCC[C]2(CCOC3(CCCC3)C2)c4ccccn4;COc1ccsc1CNCCC2(CCOC3(C2)CCCC3)c4ccccn4","InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1","","2022-09-09","2022-11-04","N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine","2022-11-09"],["DFT","1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE","C12 H15 F2 O6 P","O=P(OCC2OC(c1cc(c(F)cc1F)C)CC2O)(O)O;Cc1cc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c(F)cc1F;Cc1cc(c(cc1F)F)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1","","1999-09-28","2011-06-04","(1R)-1,4-anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-erythro-pentitol",""],["WH3","(3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid","C17 H17 N O4","O=C(O)C1C2C(=O)N(CC32C=CC1O3)CCc1ccccc1;OC(=O)[CH]1[CH]2O[C]3(CN(CCc4ccccc4)C(=O)[CH]13)C=C2;c1ccc(cc1)CCN2CC34C=CC(O3)C(C4C2=O)C(=O)O","InChI=1S/C17H17NO4/c19-15-14-13(16(20)21)12-6-8-17(14,22-12)10-18(15)9-7-11-4-2-1-3-5-11/h1-6,8,12-14H,7,9-10H2,(H,20,21)/t12-,13-,14+,17-/m0/s1","","2023-05-12","2023-06-09","(3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid","2023-06-14"],["DFU","(2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL","C6 H13 N O3","OC1C(NCC(O)C1O)C;C[CH]1NC[CH](O)[CH](O)[CH]1O;CC1C(C(C(CN1)O)O)O","InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1","DEOXYFUCONOJIRIMYCIN","2007-02-06","2020-06-17","(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol",""],["DFV","7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE","C15 H12 O4","O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3;Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2;c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O","InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1","5-DEOXYFLAVANONE","2000-08-29","2021-03-01","(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",""],["WH4","N-(propan-2-yl)pyridin-3-amine","C8 H12 N2","n1cc(ccc1)NC(C)C;CC(C)Nc1cccnc1;CC(C)Nc1cccnc1","InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3","","2020-10-30","2020-11-06","N-(propan-2-yl)pyridin-3-amine","2020-11-11"],["DFW","N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE","C20 H15 N3 O3","O=C(O)CNc1ncnc2oc(c(c12)c3ccccc3)c4ccccc4;OC(=O)CNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12;c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O","InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)","","2005-05-05","2011-06-04","N-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine",""],["WH6","2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid","C23 H17 N O6","O=C(O)CC(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4;OC(=O)C[CH](Cc1cccc2ccccc12)N3C(=O)c4ccc(cc4C3=O)C(O)=O;c1ccc2c(c1)cccc2CC(CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O","InChI=1S/C23H17NO6/c25-20(26)12-16(10-14-6-3-5-13-4-1-2-7-17(13)14)24-21(27)18-9-8-15(23(29)30)11-19(18)22(24)28/h1-9,11,16H,10,12H2,(H,25,26)(H,29,30)/t16-/m1/s1","","2007-12-17","2011-06-04","2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",""],["DFX","1,5-anhydro-2-deoxy-2-fluoro-D-xylitol","C5 H9 F O3","FC1COCC(O)C1O;O[CH]1COC[CH](F)[CH]1O;C1C(C(C(CO1)F)O)O","InChI=1S/C5H9FO3/c6-3-1-9-2-4(7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5+/m0/s1","1,2-DEOXY-2-FLUORO-XYLOPYRANOSE","1999-07-08","2024-09-27","1,5-anhydro-2-deoxy-2-fluoro-D-xylitol",""],["WH7","(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol","C10 H13 Cl2 N O","c1(c(cccc1Cl)Cl)CNCC(C)O;C[CH](O)CNCc1c(Cl)cccc1Cl;CC(CNCc1c(cccc1Cl)Cl)O","InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1","","2020-10-30","2020-11-06","(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol","2020-11-11"],["DFY","(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC","C21 H19 N3 O2","n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)N(CCO)C;CN(CCO)c1ncnc2oc(c3ccccc3)c(c4ccccc4)c12;CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4","InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3","","2005-05-05","2011-06-04","2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)(methyl)amino]ethanol",""],["WH8","(2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid","C17 H34 O2 S","CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O;CCCCCCCCCCCCSC(C)C(C)C(=O)O","InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16+/m1/s1","","2023-10-04","2024-10-04","(2~{S},3~{S})-3-dodecylsulfanyl-2-methyl-butanoic acid","2024-10-09"],["WH9","5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one","C19 H18 Cl3 N3 O","Clc1cc2NC(=O)N(C3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1Cl;Clc1ccc(CN2CCC(CC2)N3C(=O)Nc4cc(Cl)c(Cl)cc34)cc1;c1cc(ccc1CN2CCC(CC2)N3c4cc(c(cc4NC3=O)Cl)Cl)Cl","InChI=1S/C19H18Cl3N3O/c20-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-18-10-16(22)15(21)9-17(18)23-19(25)26/h1-4,9-10,14H,5-8,11H2,(H,23,26)","","2022-09-09","2022-11-04","5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one","2022-11-09"],["DFZ","3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE","C20 H18 N4 O","n1c3c(c(nc1)NCCO)c(c(c2ccccc2)n3)c4ccccc4;OCCNc1ncnc2[nH]c(c3ccccc3)c(c4ccccc4)c12;c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO","InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)","","2005-05-09","2011-06-04","2-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol",""],["DG","2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2001-06-01","2025-03-12","2'-deoxy-5'-guanylic acid",""],["WHA","4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide","C19 H18 Cl N5 O2 S","O=C(N)CCCSc1nc(nc(n1)c3c2cccc4c2c(cc3Cl)COC4)N;NC(=O)CCCSc1nc(N)nc(n1)c2c(Cl)cc3COCc4cccc2c34;c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N","InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25)","","2013-08-28","2014-01-24","4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide","2014-01-29"],["DG0","4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid","C12 H18 O13","O=C(O)C2OC(O)C(O)C(O)C2OC1OC(C(=O)O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O[CH]2O[CH]([CH](O)[CH](O)[CH]2O)C(O)=O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O","InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-/m0/s1","DIGALACTURONIC ACID","2008-08-04","2009-07-31","4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid",""],["WHB","(1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid","C12 H13 N O3 S","O=C(Cc1ccsc1)N1CC2CC2C1C(=O)O;OC(=O)[CH]1[CH]2C[CH]2CN1C(=O)Cc3cscc3;c1cscc1CC(=O)N2CC3CC3C2C(=O)O","InChI=1S/C12H13NO3S/c14-10(3-7-1-2-17-6-7)13-5-8-4-9(8)11(13)12(15)16/h1-2,6,8-9,11H,3-5H2,(H,15,16)/t8-,9+,11-/m1/s1","","2023-05-12","2023-06-09","(1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid","2023-06-14"],["DG1","(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE","C27 H33 N8 O18 P3","NC(=O)C1=CN(C=C[CH]1C(=O)c2ccncc2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1cnccc1C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O","InChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15+,16+,19+,20+,21+,22+,26+,27+/m0/s1","{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-ISONICOTINOYLPYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL\n[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE","2007-06-22","2020-06-17","[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-pyridin-4-ylcarbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate",""],["WHC","1~{H}-1,3,5-triazine-2,4-dione","C3 H3 N3 O2","O=C1NC=NC(=O)N1;C1=NC(=O)NC(=O)N1","InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)","5-azauracil","2023-10-03","2024-09-13","1~{H}-1,3,5-triazine-2,4-dione","2024-09-18"],["DG2","(2R)-2,3-diphosphoglyceric acid","C3 H8 O10 P2","OC(=O)[CH](CO[P](O)(O)=O)O[P](O)(O)=O;C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O","InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1","2,3-Bisphosphoglyceric acid; 2,3-bisphosphoglycerate; 2,3-BPG; 2,3-diphosphoglyceric acid; 2,3-diphosphoglycerate;\n2,3-DPG; (2~{R})-2,3-diphosphonooxypropanoic acid","1999-07-08","2020-06-17","(2~{R})-2,3-diphosphonooxypropanoic acid",""],["WHD","4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile","C15 H13 F N2","N#Cc2ccc(CNCc1ccc(cc1)F)cc2;Fc1ccc(CNCc2ccc(cc2)C#N)cc1;c1cc(ccc1CNCc2ccc(cc2)F)C#N","InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2","","2020-10-30","2020-11-06","4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile","2020-11-11"],["WHE","(4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide","C23 H21 Cl F N5 O S","Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1CN1CCC1;CNC(=O)c1scc(c1)n2ncc3cc(Nc4c(F)cccc4Cl)c(CN5CCC5)cc23;CNC(=O)c1cc(cs1)n2c3cc(c(cc3cn2)Nc4c(cccc4Cl)F)CN5CCC5","InChI=1S/C23H21ClFN5OS/c1-26-23(31)21-10-16(13-32-21)30-20-9-15(12-29-6-3-7-29)19(8-14(20)11-27-30)28-22-17(24)4-2-5-18(22)25/h2,4-5,8-11,13,28H,3,6-7,12H2,1H3,(H,26,31)","","2022-09-09","2025-01-10","(4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide","2025-01-15"],["DG3","2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O12 P3","NC1=Nc2n(cnc2C(=O)N1)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1","","1999-07-08","2011-06-04","[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",""],["WHF","3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE","C9 H9 N3 O S2","O=C(c1sccc1)CCc2nnc(s2)N;Nc1sc(CCC(=O)c2sccc2)nn1;c1cc(sc1)C(=O)CCc2nnc(s2)N","InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12)","","2011-05-06","2012-05-18","3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one",""],["DG4","phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate","C3 H8 O10 P2","O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O;C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1","glycerate 1,3-biphosphate","2008-12-18","2021-05-21","phosphono (2~{S})-2-oxidanyl-3-phosphonooxy-propanoate","2021-05-26"],["WHG","1-[(1,2-oxazol-3-yl)methyl]piperazine","C8 H13 N3 O","N2CCN(Cc1ccon1)CC2;C1CN(CCN1)Cc2ccon2;c1conc1CN2CCNCC2","InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2","","2020-10-30","2020-11-06","1-[(1,2-oxazol-3-yl)methyl]piperazine","2020-11-11"],["DG6","2-DEOXY-GLUCITOL-6-PHOSPHATE","C6 H15 O8 P","O=P(O)(O)OCC(O)C(O)C(O)CCO;OCC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(CO)C(C(C(COP(=O)(O)O)O)O)O","InChI=1S/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1","","2001-07-19","2011-06-04","2-deoxy-6-O-phosphono-D-arabino-hexitol",""],["DG7","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea","C26 H30 N6 O2 S","O=C(Nc1nc(cs1)CCOCc2cccnc2)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C;Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4cccnc4)n3)C(C)(C)C;Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4","InChI=1S/C26H30N6O2S/c1-18-7-9-21(10-8-18)32-23(14-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-13-34-16-19-6-5-12-27-15-19/h5-10,12,14-15,17H,11,13,16H2,1-4H3,(H2,28,29,30,33)","1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-3-ylmethoxy)ethyl)thiazol-2-yl)urea","2010-11-01","2020-06-17","1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea",""],["WHH","4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid","C26 H22 F N3 O6","O=C(O)c1ccc(cc1)CCOc4c(F)ccc3N=C(C(=O)NCc2cccc(OC)c2)NC(=O)c34;COc1cccc(CNC(=O)C2=Nc3ccc(F)c(OCCc4ccc(cc4)C(O)=O)c3C(=O)N2)c1;COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F","InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)36-12-11-15-5-7-17(8-6-15)26(33)34/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)","","2013-01-22","2015-05-15","4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid","2015-05-20"],["DG8","2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)","C26 H23 N6 O7 P","O=P(O)(O)OCC7OC(n2c(nc1c2N=C(N)NC1=O)Nc6c3c5c4c(cc3)cccc4ccc5cc6)CC7O;NC1=Nc2n([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c(Nc4ccc5ccc6cccc7ccc4c5c67)nc2C(=O)N1;c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5C7CC(C(O7)COP(=O)(O)O)O)N=C(NC6=O)N","InChI=1S/C26H23N6O7P/c27-25-30-23-22(24(34)31-25)29-26(32(23)19-10-17(33)18(39-19)11-38-40(35,36)37)28-16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)21(14)20(12)13/h1-9,17-19,33H,10-11H2,(H,28,29)(H2,35,36,37)(H3,27,30,31,34)/t17-,18+,19+/m0/s1","","2012-05-15","2013-01-04","2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)","2013-01-04"],["WHI","6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","C12 H11 Cl N2 O S2","S=C1NC(CSCc2ccc(Cl)cc2)=CC(=O)N1;Clc1ccc(CSCC2=CC(=O)NC(=S)N2)cc1;c1cc(ccc1CSCC2=CC(=O)NC(=S)N2)Cl","InChI=1S/C12H11ClN2OS2/c13-9-3-1-8(2-4-9)6-18-7-10-5-11(16)15-12(17)14-10/h1-5H,6-7H2,(H2,14,15,16,17)","","2023-05-12","2023-06-09","6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","2023-06-14"],["WHJ","CARMOTEROL","C21 H24 N2 O4","COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c3NC(=O)C=Cc23)cc1;CC(Cc1ccc(cc1)OC)NCC(c2ccc(c3c2C=CC(=O)N3)O)O","InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1","","2010-11-30","2011-06-04","8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one",""],["DG9","5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine","C27 H48 N9 O12 P S2","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)C(C)C;CC(C)[CH](N)[CH](C[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CC(C)C(C(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)N","InChI=1S/C27H48N9O12PS2/c1-14(2)18(28)16(50-8-7-30-17(37)5-6-31-25(41)22(40)27(3,4)11-47-49(42,43)44)10-51(45,46)35-9-15-20(38)21(39)26(48-15)36-13-34-19-23(29)32-12-33-24(19)36/h12-16,18,20-22,26,35,38-40H,5-11,28H2,1-4H3,(H,30,37)(H,31,41)(H2,29,32,33)(H2,42,43,44)/t15-,16+,18-,20-,21-,22+,26-/m1/s1","","2012-01-30","2024-09-27","5'-{[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentane-1-sulfonyl]amino}-5'-deoxyadenosine",""],["DGA","DIACYL GLYCEROL","C39 H76 O5","O=C(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1","","2001-10-31","2024-09-27","(2S)-3-hydroxypropane-1,2-diyl dioctadecanoate",""],["WHK","1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea","C16 H18 B N2 O3 S","O[B]1(O)OCCc2ccc(NC(=S)NCc3ccccc3)cc12;B1(c2cc(ccc2CCO1)NC(=S)NCc3ccccc3)(O)O","InChI=1S/C16H18BN2O3S/c20-17(21)15-10-14(7-6-13(15)8-9-22-17)19-16(23)18-11-12-4-2-1-3-5-12/h1-7,10,20-21H,8-9,11H2,(H2,18,19,23)","","2023-10-04","2024-10-11","1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea","2024-10-16"],["DGB","(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide","C24 H29 N3 O2","O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3;O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)C=Cc3cccnc3;c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)C=Cc3cccnc3","InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+","FK-866","2006-03-09","2021-03-01","(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide",""],["WHL","N,N'-(1,4-phenylene)diacetamide","C10 H12 N2 O2","O=C(C)Nc1ccc(cc1)NC(C)=O;CC(=O)Nc1ccc(NC(C)=O)cc1;CC(=O)Nc1ccc(cc1)NC(=O)C","InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)","","2022-05-04","2024-09-27","N,N'-(1,4-phenylene)diacetamide","2022-12-28"],["DGC","4-DEOXY-ALPHA-L-THREO-HEX-4-ENOPYRANURONIC ACID","C6 H8 O6","O=C(O)C=1OC(O)C(O)C(O)C=1;O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O;C1=C(OC(C(C1O)O)O)C(=O)O","InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1","","2003-07-11","2013-01-15","4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid",""],["WHM","2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione","C10 H12 F N O2 S","c2(CN1CCCS1(=O)=O)cccc(c2)F;Fc1cccc(CN2CCC[S]2(=O)=O)c1;c1cc(cc(c1)F)CN2CCCS2(=O)=O","InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2","","2020-10-30","2020-11-06","2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione","2020-11-11"],["WHN","4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one","C17 H14 O3","OC=1C=C(CCc2cccc3ccccc32)OC(=O)C=1;OC1=CC(=O)OC(=C1)CCc2cccc3ccccc23;c1ccc2c(c1)cccc2CCC3=CC(=CC(=O)O3)O","InChI=1S/C17H14O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,10-11,18H,8-9H2","","2023-05-12","2023-06-09","4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one","2023-06-14"],["DGD","DIGALACTOSYL DIACYL GLYCEROL (DGDG)","C51 H96 O15","O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1","","1999-07-08","2011-06-04","(2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]propane-1,2-diyl dioctadecanoate",""],["DGE","(2S,3R,4S)-4-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C16 H23 N3 O4 S2","O=C(O)C3=NC(C(C=O)C(O)C)C(C)C3SC2CN(C1=NCCS1)C2;C[CH](O)[CH](C=O)[CH]1N=C([CH](SC2CN(C2)C3=NCCS3)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CN(C2)C3=NCCS3","InChI=1S/C16H23N3O4S2/c1-8-12(11(7-20)9(2)21)18-13(15(22)23)14(8)25-10-5-19(6-10)16-17-3-4-24-16/h7-12,14,21H,3-6H2,1-2H3,(H,22,23)/t8-,9-,11-,12-,14+/m1/s1","TEBIPENEM PRODUCT, BOUND FORM","2012-03-28","2025-09-26","(2S,3R,4S)-4-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","2025-10-01"],["WHO","3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","C14 H13 F3 N6 O2 S","CCSCc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F;CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F","InChI=1S/C14H13F3N6O2S/c1-3-26-6-10-20-21-11-8(4-5-9(23(10)11)14(15,16)17)12(24)18-13-22-19-7(2)25-13/h4-5H,3,6H2,1-2H3,(H,18,22,24)","","2023-10-04","2024-09-20","3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide","2024-09-25"],["WHP","N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide","C9 H12 Cl N O2 S","c1cccc(Cl)c1C(NS(=O)(C)=O)C;C[CH](N[S](C)(=O)=O)c1ccccc1Cl;CC(c1ccccc1Cl)NS(=O)(=O)C","InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1","","2020-10-30","2020-11-06","N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide","2020-11-11"],["DGF","(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid","C12 H17 N O5 S","O=C(O)C1=NC(SC1C2OCCC2)C(C=O)C(O)C;C[CH](O)[CH](C=O)[CH]1S[CH]([CH]2CCCO2)C(=N1)C(O)=O;CC(C(C=O)C1N=C(C(S1)C2CCCO2)C(=O)O)O","InChI=1S/C12H17NO5S/c1-6(15)7(5-14)11-13-9(12(16)17)10(19-11)8-3-2-4-18-8/h5-8,10-11,15H,2-4H2,1H3,(H,16,17)/t6-,7-,8-,10+,11-/m1/s1","FAROPENEM PRODUCT, BOUND FORM","2012-03-28","2024-09-27","(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid","2016-09-28"],["DGG","1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL","C39 H75 O10 P","O=P(O)(OCC(O)CO)OCC(OC(=O)CCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC(O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC","InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36?,37-/m1/s1","","1999-08-19","2011-06-04","(2R)-3-{[(S)-(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-({8-[(1S,2R)-2-hexylcyclopropyl]octanoyl}oxy)propyl hexadecanoate",""],["WHQ","(4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide","C21 H18 Cl F N4 O2 S","Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1COC;CNC(=O)c1scc(c1)n2ncc3cc(Nc4c(F)cccc4Cl)c(COC)cc23;CNC(=O)c1cc(cs1)n2c3cc(c(cc3cn2)Nc4c(cccc4Cl)F)COC","InChI=1S/C21H18ClFN4O2S/c1-24-21(28)19-8-14(11-30-19)27-18-7-13(10-29-2)17(6-12(18)9-25-27)26-20-15(22)4-3-5-16(20)23/h3-9,11,26H,10H2,1-2H3,(H,24,28)","","2022-09-09","2023-09-15","(4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide","2023-09-20"],["WHR","6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid","C18 H13 Cl2 N O2","Clc1ccccc1Cc1c2cc(Cl)ccc2nc(C)c1C(=O)O;Cc1nc2ccc(Cl)cc2c(Cc3ccccc3Cl)c1C(O)=O;Cc1c(c(c2cc(ccc2n1)Cl)Cc3ccccc3Cl)C(=O)O","InChI=1S/C18H13Cl2NO2/c1-10-17(18(22)23)14(8-11-4-2-3-5-15(11)20)13-9-12(19)6-7-16(13)21-10/h2-7,9H,8H2,1H3,(H,22,23)","","2023-05-12","2023-06-09","6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid","2023-06-14"],["DGH","(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID","C8 H9 N O3","O=C(O)C(N)c1ccc(O)cc1;N[CH](C(O)=O)c1ccc(O)cc1;c1cc(ccc1C(C(=O)O)N)O","InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1/f/h11H","","2004-09-08","2008-10-14","(2R)-amino(4-hydroxyphenyl)ethanoic acid",""],["DGI","2'-DEOXYGUANOSINE-5'-DIPHOSPHATE","C10 H15 N5 O10 P2","O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","2004-01-22","2011-06-04","2'-deoxyguanosine 5'-(trihydrogen diphosphate)",""],["WHS","4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine","C9 H14 N2 O S","n1c(C)csc1NCC2CCCO2;Cc1csc(NC[CH]2CCCO2)n1;Cc1csc(n1)NCC2CCCO2","InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1","","2020-10-30","2020-11-06","4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine","2020-11-11"],["WHT","(2~{R})-2-azanyl-3-phosphono-propanoic acid","C3 H8 N O5 P","N[CH](C[P](O)(O)=O)C(O)=O;C(C(C(=O)O)N)P(=O)(O)O","InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1","","2023-10-04","2024-10-04","(2~{R})-2-azanyl-3-phosphono-propanoic acid","2024-10-09"],["DGJ","(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol","C6 H13 N O4","OC1C(NCC(O)C1O)CO;OC[CH]1NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)CO)O)O)O","InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1","1-deoxygalactonojirimycin","2011-07-01","2021-03-01","(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["WHU","2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide","C18 H11 Br Cl2 F N5 O2","O=C(c1c(Cl)nc(N)n1)NCc3ccc(Br)c(Oc2cc(C#N)cc(Cl)c2)c3F;Nc1[nH]c(c(Cl)n1)C(=O)NCc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F;c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br","InChI=1S/C18H11BrCl2FN5O2/c19-12-2-1-9(7-25-17(28)14-16(21)27-18(24)26-14)13(22)15(12)29-11-4-8(6-23)3-10(20)5-11/h1-5H,7H2,(H,25,28)(H3,24,26,27)","","2012-10-14","2014-09-05","2-amino-N-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-4-chloro-1H-imidazole-5-carboxamide","2013-01-04"],["DGK","Hydrolysed Cefoperazone","C23 H27 N5 O8 S","CCN1CCN(C(=O)N[CH](C(=O)N[CH](C=O)[CH]2SC[CH](C)C(=N2)C(O)=O)c3ccc(O)cc3)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccc(cc2)O)C(=O)NC(C=O)C3N=C(C(CS3)C)C(=O)O","InChI=1S/C23H27N5O8S/c1-3-27-8-9-28(21(33)20(27)32)23(36)26-17(13-4-6-14(30)7-5-13)18(31)24-15(10-29)19-25-16(22(34)35)12(2)11-37-19/h4-7,10,12,15,17,19,30H,3,8-9,11H2,1-2H3,(H,24,31)(H,26,36)(H,34,35)/t12-,15-,17-,19+/m1/s1","2-[(1~{R})-1-[[(2~{R})-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2012-03-29","2026-04-17","2-[(1~{R})-1-[[(2~{R})-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid","2026-04-22"],["WHV","(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine","C8 H14 N2 S","n1c(C)c(C(NC)C)sc1C;CN[CH](C)c1sc(C)nc1C;Cc1c(sc(n1)C)C(C)NC","InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1","","2020-10-30","2020-11-06","(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine","2020-11-11"],["DGL","D-GLUTAMIC ACID","C5 H9 N O4","O=C(O)C(N)CCC(=O)O;N[CH](CCC(O)=O)C(O)=O;C(CC(=O)O)C(C(=O)O)N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","","1999-07-07","2023-11-03","D-glutamic acid",""],["DGM","D-GLUCOPYRANOSYLIUM","C6 H11 O5","OC1C(O)C(O)[CH+]OC1CO;OC[CH]1O[CH+][CH](O)[CH](O)[CH]1O;[CH+]1C(C(C(C(O1)CO)O)O)O","InChI=1/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/q+1/t3-,4+,5+,6+/m0/s1","","2005-08-30","2008-10-14","(3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylium",""],["WHW","9S,13R-12-OXOPHYTODIENOIC ACID","C18 H28 O3","O=C(O)CCCCCCCC1C=CC(=O)C1CC=C/CC;CCC=CC[CH]1[CH](CCCCCCCC(O)=O)C=CC1=O;CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O","InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1","","2014-02-27","2015-02-27","8-{(1S,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid","2015-03-04"],["DGN","D-GLUTAMINE","C5 H10 N2 O3","O=C(N)CCC(N)C(=O)O;N[CH](CCC(N)=O)C(O)=O;C(CC(=O)N)C(C(=O)O)N","InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1","","1999-07-08","2023-11-03","D-glutamine",""],["WHX","5-aminopentan-1-ol","C5 H13 N O","NCCCCCO;NCCCCCO;C(CCN)CCO","InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2","","2022-09-09","2023-01-27","5-aminopentan-1-ol","2023-02-01"],["WHY","4-[(dimethylamino)methyl]benzonitrile","C10 H12 N2","N#Cc1ccc(CN(C)C)cc1;CN(C)Cc1ccc(cc1)C#N;CN(C)Cc1ccc(cc1)C#N","InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3","","2020-10-30","2020-11-06","4-[(dimethylamino)methyl]benzonitrile","2020-11-11"],["DGO","D-glucal","C6 H10 O4","C=1OC(C(C(C=1)O)O)CO;OC[CH]1OC=C[CH](O)[CH]1O;C1=COC(C(C1O)O)CO","InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1","","2016-01-14","2020-07-17","1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol","2016-07-27"],["DGP","2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE","C10 H14 N5 O7 P","O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","1999-07-08","2019-03-01","2'-deoxy-5'-guanylic acid",""],["WHZ","(1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid","C14 H15 Cl2 N O3","O=C(NC1CCCCC1C(=O)O)c1ccc(Cl)c(Cl)c1;OC(=O)[CH]1CCCC[CH]1NC(=O)c2ccc(Cl)c(Cl)c2;c1cc(c(cc1C(=O)NC2CCCCC2C(=O)O)Cl)Cl","InChI=1S/C14H15Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)/t9-,12+/m1/s1","","2023-05-12","2023-06-09","(1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid","2023-06-14"],["DGQ","(S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid","C15 H31 B10 N3 O8","OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]58%14[BH]%11%15%16[BH]%12%17%18[BH]9%13%19[BH]16%10[BH]2%17%19[CH]3%15%18[BH]47%14%16)C(O)=O)C(O)=O;[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C15H31B10N3O8/c29-9(30)5-4-8(11(33)34)28-13(36)27-7(10(31)32)3-1-2-6-26-12(35)15-14-16(15)18(14)19(14)17(14,15)21(15)20(15,16)22(16,18)24(18,19)23(17,19,21)25(20,21,22)24/h7-8,14,16-25H,1-6H2,(H,26,35)(H,29,30)(H,31,32)(H,33,34)(H2,27,28,36)/t7-,8-/m0/s1","DCCBL","2014-04-08","2021-03-01","","2015-02-18"],["WI0","6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-(2-ethoxyethyl)-5-methyl-2-(trifluoromethyl)quinazolin-4-one","C20 H21 F3 N4 O4","CCOCCN1C(=O)c2c(C)c(ccc2N=C1C(F)(F)F)C(=O)c3c(C)nn(C)c3O;CCOCCN1C(=O)c2c(c(ccc2N=C1C(F)(F)F)C(=O)c3c(nn(c3O)C)C)C","InChI=1S/C20H21F3N4O4/c1-5-31-9-8-27-18(30)14-10(2)12(6-7-13(14)24-19(27)20(21,22)23)16(28)15-11(3)25-26(4)17(15)29/h6-7,29H,5,8-9H2,1-4H3","","2023-10-04","2024-09-20","6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-(2-ethoxyethyl)-5-methyl-2-(trifluoromethyl)quinazolin-4-one","2024-09-25"],["DGR","(E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid","C10 H9 N3 O4","O=C(NNC(=O)C=CC(=O)O)c1cccnc1;OC(=O)C=CC(=O)NNC(=O)c1cccnc1;c1cc(cnc1)C(=O)NNC(=O)C=CC(=O)O","InChI=1S/C10H9N3O4/c14-8(3-4-9(15)16)12-13-10(17)7-2-1-5-11-6-7/h1-6H,(H,12,14)(H,13,17)(H,15,16)/b4-3+","","2014-04-09","2014-10-03","(2E)-4-oxo-4-[2-(pyridin-3-ylcarbonyl)hydrazinyl]but-2-enoic acid","2014-10-01"],["WI2","1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid","C17 H20 N4 O3","O=C(O)C3CCN(c2nc(c1cccc(OC)c1)cnc2N)CC3;COc1cccc(c1)c2cnc(N)c(n2)N3CCC(CC3)C(O)=O;COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N","InChI=1S/C17H20N4O3/c1-24-13-4-2-3-12(9-13)14-10-19-15(18)16(20-14)21-7-5-11(6-8-21)17(22)23/h2-4,9-11H,5-8H2,1H3,(H2,18,19)(H,22,23)","","2010-07-07","2011-06-04","1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid",""],["WI4","N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine","C13 H10 Cl N5","Clc1ccccc1Nc2ncnc(n2)n3cccc3;Clc1ccccc1Nc2ncnc(n2)n3cccc3;c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl","InChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18)","","2013-05-18","2013-09-13","N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine","2013-09-18"],["DGS","3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose","C6 H10 O8 S","O=S(=O)(O)OC1C2OCC(OC1O)C2O;O[CH]1O[CH]2CO[CH]([CH]2O)[CH]1O[S](O)(=O)=O;C1C2C(C(O1)C(C(O2)O)OS(=O)(=O)O)O","InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1","3,6-ANHYDRO-D-GALACTOSE-2-SULFATE; 3,6-anhydro-2-O-sulfo-alpha-D-galactose; 3,6-anhydro-2-O-sulfo-D-galactose;\n3,6-anhydro-2-O-sulfo-galactose","2001-01-24","2020-07-17","3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose",""],["WI5","{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone","C27 H26 N2 O3","c2ccc1cccc(c1c2)C(=O)c3c(C)n5C(COc4cccc3c45)CN6CCOCC6;Cc1n2[CH](COc3cccc(c23)c1C(=O)c4cccc5ccccc45)CN6CCOCC6;Cc1c(c2cccc3c2n1C(CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6","InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1","","2019-07-15","2020-02-07","{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone","2020-02-12"],["DGT","2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE","C10 H16 N5 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1","","1999-07-08","2011-06-04","2'-deoxyguanosine 5'-(tetrahydrogen triphosphate)",""],["WI6","1,4,5,6-Tetrahydronicotinamide adenine dinucleotide","C21 H31 N7 O14 P2","NC(=O)[CH]1CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N","InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-2,7-11,13-16,20-21,29-32H,3-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t9-,10+,11?,13+,14?,15+,16?,20+,21?/m0/s1","[[(2R,3S,4R,5R)-5-[(3S)-3-aminocarbonyl-3,6-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2023-10-04","2024-01-12","[[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{S})-3-aminocarbonyl-3,6-dihydro-2~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2024-01-17"],["DGU","D-galacturonic acid","C6 H10 O7","O=C(O)C(O)C(O)C(O)C(O)C=O;O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O;C(=O)C(C(C(C(C(=O)O)O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1","D-Galacturonate","2011-03-23","2020-07-17","D-galacturonic acid",""],["DGV","1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide","C26 H33 Cl2 N3 O","Clc1cccc(Cl)c1C2CCN(CC2)CCCNC(=O)C3CCCN3Cc4ccccc4;Clc1cccc(Cl)c1[CH]2CCN(CCCNC(=O)[CH]3CCCN3Cc4ccccc4)CC2;c1ccc(cc1)CN2CCCC2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl","InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1","","2015-09-11","2015-10-16","1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide","2015-10-21"],["WI8","2-{[(2M)-5-bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C18 H16 Br N3 O4","O=C(O)C=1CCCC=1C(=O)Nc1cc(Br)ccc1c1nc(no1)C1CC1;OC(=O)C1=C(CCC1)C(=O)Nc2cc(Br)ccc2c3onc(n3)C4CC4;c1cc(c(cc1Br)NC(=O)C2=C(CCC2)C(=O)O)c3nc(no3)C4CC4","InChI=1S/C18H16BrN3O4/c19-10-6-7-13(17-21-15(22-26-17)9-4-5-9)14(8-10)20-16(23)11-2-1-3-12(11)18(24)25/h6-9H,1-5H2,(H,20,23)(H,24,25)","","2023-05-12","2023-06-09","2-{[(2M)-5-bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["WI9","1,8-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione","C24 H22 N2 O5","CN1C(=O)N(Cc2ccccc2)C(=O)c3cc(cc(C)c13)C(=O)C4=C(O)CCCC4=O;Cc1cc(cc2c1N(C(=O)N(C2=O)Cc3ccccc3)C)C(=O)C4=C(CCCC4=O)O","InChI=1S/C24H22N2O5/c1-14-11-16(22(29)20-18(27)9-6-10-19(20)28)12-17-21(14)25(2)24(31)26(23(17)30)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,27H,6,9-10,13H2,1-2H3","","2023-10-04","2024-09-20","1,8-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione","2024-09-25"],["DGW","(5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol","C24 H29 Cl2 N O","Clc1cccc(Cl)c1C2CCN(CC2)CC4CC(O)c3cccc(c3CC4)C;Cc1cccc2[CH](O)C[CH](CCc12)CN3CC[CH](CC3)c4c(Cl)cccc4Cl;Cc1cccc2c1CCC(CC2O)CN3CCC(CC3)c4c(cccc4Cl)Cl","InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1","","2015-09-11","2015-10-16","(5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol","2015-10-21"],["DGX","DIGOXIN","C41 H64 O14","O=C1OCC(=C1)C2CCC8(O)C2(C)C(O)CC7C8CCC6CC(OC5OC(C(OC4OC(C(OC3OC(C)C(O)C(O)C3)C(O)C4)C)C(O)C5)C)CCC67C;C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5C[CH](O)[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4;CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O","InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1","","1999-07-08","2011-07-02","(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",""],["WIA","methyl 6-thio-beta-D-galactopyranoside","C7 H14 O5 S","C1(OC)C(O)C(O)C(O)C(O1)CS;CO[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CS)O)O)O","InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1","methyl 6-thio-beta-D-galactoside; methyl 6-thio-D-galactoside; methyl 6-thio-galactoside","2003-11-28","2020-07-17","methyl 6-thio-beta-D-galactopyranoside",""],["DGY","(2R)-2,3-DIHYDROXYPROPANOIC ACID","C3 H6 O4","O=C(O)C(O)CO;OC[CH](O)C(O)=O;C(C(C(=O)O)O)O","InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1","","2005-04-08","2011-06-04","(2R)-2,3-dihydroxypropanoic acid",""],["WIB","4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline","C13 H15 Br Cl2 N2 O4 S","BrC(Cl)(Cl)S(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O;[O-][N+](=O)c1cc(ccc1NC2CCCCC2)[S](=O)(=O)C(Cl)(Cl)Br;c1cc(c(cc1S(=O)(=O)C(Cl)(Cl)Br)[N+](=O)[O-])NC2CCCCC2","InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2","","2022-09-12","2023-04-14","4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline","2023-04-19"],["WIC","(2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid","C19 H21 Cl O4","Clc1ccc(OCCCCC(Oc2ccc(C)cc2)C(=O)O)cc1;Cc1ccc(O[CH](CCCCOc2ccc(Cl)cc2)C(O)=O)cc1;Cc1ccc(cc1)OC(CCCCOc2ccc(cc2)Cl)C(=O)O","InChI=1S/C19H21ClO4/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1","","2023-05-12","2023-06-09","(2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid","2023-06-14"],["DGZ","N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide","C57 H67 N7 O10","O=C(N)C(NC(=O)C(NC(=O)COCCOCCNC(=O)C(NC(=O)C(O)C(N)Cc1ccccc1)Cc3cc2ccccc2cc3)Cc4ccc(cc4)C(=O)c5ccccc5)CCCCNC(=O)CCCC#C;N[CH](Cc1ccccc1)[CH](O)C(=O)N[CH](Cc2ccc3ccccc3c2)C(=O)NCCOCCOCC(=O)N[CH](Cc4ccc(cc4)C(=O)c5ccccc5)C(=O)N[CH](CCCCNC(=O)CCCC#C)C(N)=O;C#CCCCC(=O)NCCCCC(C(=O)N)NC(=O)C(Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)C(Cc3ccc4ccccc4c3)NC(=O)C(C(Cc5ccccc5)N)O","InChI=1S/C57H67N7O10/c1-2-3-6-22-50(65)60-29-14-13-21-47(54(59)69)63-56(71)49(36-40-23-27-44(28-24-40)52(67)43-18-9-5-10-19-43)62-51(66)38-74-33-32-73-31-30-61-55(70)48(37-41-25-26-42-17-11-12-20-45(42)34-41)64-57(72)53(68)46(58)35-39-15-7-4-8-16-39/h1,4-5,7-12,15-20,23-28,34,46-49,53,68H,3,6,13-14,21-22,29-33,35-38,58H2,(H2,59,69)(H,60,65)(H,61,70)(H,62,66)(H,63,71)(H,64,72)/t46-,47+,48+,49+,53+/m1/s1","","2011-08-29","2011-09-23","(2S,5S,17S,20S,21R)-21-amino-5-(4-benzoylbenzyl)-2-[4-(hex-5-ynoylamino)butyl]-20-hydroxy-17-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-22-phenyl-9,12-dioxa-3,6,15,18-tetraazadocosan-1-amide (non-preferred name)",""],["WID","(2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol","C20 H19 F N6 O2","N[CH](CO)Cn1ccc(n1)c2ccc(Oc3ncc(cc3F)c4[nH]ncc4)cc2;c1cc(ccc1c2ccn(n2)CC(CO)N)Oc3c(cc(cn3)c4ccn[nH]4)F","InChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1","","2023-10-04","2023-12-01","(2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol","2023-12-06"],["DH1","2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE","C17 H22 N4 O4","O=C(O)CCCCOc1cc(c(OC)cc1)Cc2cnc(nc2N)N;COc1ccc(OCCCCC(O)=O)cc1Cc2cnc(N)nc2N;COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O","InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21)","","2006-02-15","2011-06-04","5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid",""],["WIF","3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide","C12 H10 Cl2 N2 O3 S2","O=S(=O)(Nc1ccsc1C(N)=O)c1cc(C)c(Cl)cc1Cl;Cc1cc(c(Cl)cc1Cl)[S](=O)(=O)Nc2ccsc2C(N)=O;Cc1cc(c(cc1Cl)Cl)S(=O)(=O)Nc2ccsc2C(=O)N","InChI=1S/C12H10Cl2N2O3S2/c1-6-4-10(8(14)5-7(6)13)21(18,19)16-9-2-3-20-11(9)12(15)17/h2-5,16H,1H3,(H2,15,17)","","2023-05-12","2023-06-09","3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide","2023-06-14"],["DH2","(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE","C15 H12 O7","O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O;O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O","InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1","(2S,3S)-TRANS-DIHYDROQUERCETIN","2001-10-30","2021-03-13","(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one",""],["DH3","2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE","C19 H22 N4 O4","O=C(O)CCCC#Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N;COc1cc(Cc2cnc(N)nc2N)cc(C#CCCCC(O)=O)c1OC;COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N","InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23)","","2006-02-15","2024-09-27","6-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}hex-5-ynoic acid",""],["WIG","6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one","C21 H18 F N5 O3","Cn1nc(C)c(c1O)C(=O)c2ccc3N=NN(Cc4ccc(F)cc4)C(=O)c3c2C;Cc1c(ccc2c1C(=O)N(N=N2)Cc3ccc(cc3)F)C(=O)c4c(nn(c4O)C)C","InChI=1S/C21H18FN5O3/c1-11-15(19(28)18-12(2)24-26(3)20(18)29)8-9-16-17(11)21(30)27(25-23-16)10-13-4-6-14(22)7-5-13/h4-9,29H,10H2,1-3H3","","2023-10-04","2024-09-27","6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one","2024-10-02"],["DH4","2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C15 H25 N3 O3 S","O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O;CC1(C)SC(NC1C(O)=O)[CH](C=O)N=CN2CCCCCC2;CC1(C(NC(S1)C(C=O)N=CN2CCCCCC2)C(=O)O)C","InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1","Mecillinam, bound form","2010-06-25","2024-09-27","2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["WIH","5-(4-methoxyphenyl)-1H-tetrazole","C8 H8 N4 O","COc1ccc(cc1)c1nnn[NH]1;COc1ccc(cc1)c2[nH]nnn2;COc1ccc(cc1)c2[nH]nnn2","InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)","","2022-09-13","2023-03-03","5-(4-methoxyphenyl)-1H-tetrazole","2023-03-08"],["WII","2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C21 H25 N3 O4 S","O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(on1)C(C)(C)C;CC(C)(C)c1onc(n1)c2c3CCCCc3sc2NC(=O)C4=C(CCC4)C(O)=O;CC(C)(C)c1nc(no1)c2c3c(sc2NC(=O)C4=C(CCC4)C(=O)O)CCCC3","InChI=1S/C21H25N3O4S/c1-21(2,3)20-22-16(24-28-20)15-13-7-4-5-10-14(13)29-18(15)23-17(25)11-8-6-9-12(11)19(26)27/h4-10H2,1-3H3,(H,23,25)(H,26,27)","","2023-05-12","2023-06-09","2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["DH5","N-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide","C19 H19 Br N4 O4 S","CN(C1=C(N)N(Cc2ccc(Br)c(C)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3;Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N","InChI=1S/C19H19BrN4O4S/c1-12-10-13(8-9-15(12)20)11-24-17(21)16(18(25)22-19(24)26)23(2)29(27,28)14-6-4-3-5-7-14/h3-10H,11,21H2,1-2H3,(H,22,25,26)","","2016-01-21","2017-02-17","N-[6-azanyl-1-[(4-bromanyl-3-methyl-phenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide","2017-02-22"],["WIJ","N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide","C16 H11 N3 O4 S","NC(=O)c1ccccc1NC(=O)c1cc2cc(ccc2s1)[N+]([O-])=O;NC(=O)c1ccccc1NC(=O)c2sc3ccc(cc3c2)[N+]([O-])=O;c1ccc(c(c1)C(=O)N)NC(=O)c2cc3cc(ccc3s2)[N+](=O)[O-]","InChI=1S/C16H11N3O4S/c17-15(20)11-3-1-2-4-12(11)18-16(21)14-8-9-7-10(19(22)23)5-6-13(9)24-14/h1-8H,(H2,17,20)(H,18,21)","","2023-10-04","2023-10-13","N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide","2023-10-18"],["DH6","CINNAMIDE","C9 H9 N O","NC(=O)C=Cc1ccccc1;c1ccc(cc1)C=CC(=O)N","InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+","","2015-06-03","2015-07-17","(E)-3-phenylprop-2-enamide","2015-07-22"],["DH7","(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene","C30 H46","C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C;CC(C)=CCCC(C)=CCC[C](C)=[C]=[CH][CH]=[C]=[C](C)CCC=C(C)CCC=C(C)C;CC(=CCCC(=CCCC(=C=CC=C=C(C)CCC=C(C)CCC=C(C)C)C)C)C","InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+","dehydrosqualene","2010-07-07","2021-03-01","(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene",""],["WIK","(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole","C14 H12 N4","Cc1ccc(cc1)c1ccccc1c1nnn[NH]1;Cc1ccc(cc1)c2ccccc2c3[nH]nnn3;Cc1ccc(cc1)c2ccccc2c3[nH]nnn3","InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)","","2022-09-13","2023-03-03","(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole","2023-03-08"],["DH8","(2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate","C27 H34 N2 O8","O=C(OC6C7C5C(=C/C)C(OC1OC(C(O)C(O)C1O)CO)N4C7CC63c2ccccc2NC3C4C5)C;CC=C1[CH]2C[CH]3[CH]4Nc5ccccc5[C]46C[CH]([CH]2[CH]6OC(C)=O)[N]3[CH]1O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O;CC=C1C2CC3C4C5(CC(C2C5OC(=O)C)N3C1OC6C(C(C(C(O6)CO)O)O)O)c7ccccc7N4","InChI=1S/C27H34N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-26,28,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+/m0/s1","","2011-11-10","2011-11-25","(2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate",""],["WIL","(1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid","C19 H16 O4","COc1cc(ccc1)c1c2cc(OC)ccc2ccc1C(=O)O;COc1cccc(c1)c2c(ccc3ccc(OC)cc23)C(O)=O;COc1cccc(c1)c2c(ccc3c2cc(cc3)OC)C(=O)O","InChI=1S/C19H16O4/c1-22-14-5-3-4-13(10-14)18-16(19(20)21)9-7-12-6-8-15(23-2)11-17(12)18/h3-11H,1-2H3,(H,20,21)","","2023-05-12","2023-06-09","(1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid","2023-06-14"],["WIN","methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate","C28 H36 O11","O=C(OC)C15OCC24C1C(OC(=O)C=C(/C)C(C)C)C(=O)OC2CC3C(=C(O)C(=O)CC3(C)C4C(O)C5O)C;COC(=O)[C]12OC[C]34[CH](C[CH]5C(=C(O)C(=O)C[C]5(C)[CH]3[CH](O)[CH]1O)C)OC(=O)[CH](OC(=O)C=C(C)C(C)C)[CH]24;CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O","InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1","Bruceantin; Picras-3-en-21-oic acid; (11beta,12alpha,15beta)-15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester","2009-02-16","2020-05-26","methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate",""],["DH9","(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID","C29 H55 N O6","O=C(OC(CC(O)C(C(=O)O)CCCCCC)CCCCCCCCCCC)C(NC=O)CC(C)C;CCCCCCCCCCC[CH](C[CH](O)[CH](CCCCCC)C(O)=O)OC(=O)[CH](CC(C)C)NC=O;CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC(=O)C(CC(C)C)NC=O","InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1","","2007-06-06","2024-09-27","(2S,3S,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid",""],["DHA","2-AMINO-ACRYLIC ACID","C3 H5 N O2","O=C(O)C(=C)N;NC(=C)C(O)=O;C=C(C(=O)O)N","InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)","2,3-DIDEHYDROALANINE","1999-11-22","2024-09-27","2-aminoprop-2-enoic acid",""],["WIO","(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H36 F N3 O9 S","CC(C)CC(NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Oc2cccc(c2)F","InChI=1S/C24H36FN3O9S/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1","","2022-09-13","2024-09-27","(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-21"],["DHB","3,4-DIHYDROXYBENZOIC ACID","C7 H6 O4","O=C(O)c1cc(O)c(O)cc1;OC(=O)c1ccc(O)c(O)c1;c1cc(c(cc1C(=O)O)O)O","InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)","","1999-07-08","2011-06-04","3,4-dihydroxybenzoic acid",""],["WIP","(1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid","C21 H16 O6","O=C(O)c1cc(cc(O)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O;OC(=O)c1cc(O)cc(c1)c2ccc(C(O)=O)c(OCc3ccccc3)c2;c1ccc(cc1)COc2cc(ccc2C(=O)O)c3cc(cc(c3)O)C(=O)O","InChI=1S/C21H16O6/c22-17-9-15(8-16(10-17)20(23)24)14-6-7-18(21(25)26)19(11-14)27-12-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,23,24)(H,25,26)","","2023-05-14","2023-12-29","(1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid","2024-01-03"],["DHC","CAFFEIC ACID","C9 H8 O4","O=C(O)C=Cc1cc(O)c(O)cc1;OC(=O)C=Cc1ccc(O)c(O)c1;c1cc(c(cc1C=CC(=O)O)O)O","InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+","3,4-DIHYDROXYCINNAMIC ACID","2002-01-09","2024-09-27","(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid",""],["WIQ","3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide","C26 H30 Cl N7 O3","CCC(=O)N1CC(CC1COC)n1nc(C#Cc2cc3ncn(C4CC4)c3cc2Cl)c(c1NC)C(N)=O;CCC(=O)N1C[CH](C[CH]1COC)n2nc(C#Cc3cc4ncn(C5CC5)c4cc3Cl)c(C(N)=O)c2NC;CCC(=O)N1CC(CC1COC)n2c(c(c(n2)C#Cc3cc4c(cc3Cl)n(cn4)C5CC5)C(=O)N)NC","InChI=1S/C26H30ClN7O3/c1-4-23(35)32-12-17(10-18(32)13-37-3)34-26(29-2)24(25(28)36)20(31-34)8-5-15-9-21-22(11-19(15)27)33(14-30-21)16-6-7-16/h9,11,14,16-18,29H,4,6-7,10,12-13H2,1-3H3,(H2,28,36)/t17-,18+/m0/s1","","2023-10-04","2024-09-27","3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide","2024-02-07"],["DHD","2,4-DIOXO-PENTANEDIOIC ACID","C5 H4 O6","O=C(C(=O)O)CC(=O)C(=O)O;OC(=O)C(=O)CC(=O)C(O)=O;C(C(=O)C(=O)O)C(=O)C(=O)O","InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11)","","1999-07-14","2011-06-04","2,4-dioxopentanedioic acid",""],["WIR","(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol","C22 H26 N8 O","CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC1c2ccccc2CC1O;Cn1nc(Nc2nc(N[CH]3[CH](O)Cc4ccccc34)nc5[nH]ncc25)cc1C(C)(C)C;CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)NC4c5ccccc5CC4O","InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1","","2022-09-13","2022-09-23","(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol","2022-09-28"],["WIU","(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate","C24 H32 N10 O2","CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)NCCN)c1ccccc1;Cn1nc(Nc2nc(N[CH](COC(=O)NCCN)c3ccccc3)nc4[nH]ncc24)cc1C(C)(C)C;CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)NC(COC(=O)NCCN)c4ccccc4","InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1","","2022-09-13","2022-09-30","(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate","2022-10-05"],["DHE","HEME D","C34 H32 Fe N4 O10","CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]2C1=CC5=NC(=CC6=NC(=Cc4c(C)c3CCC(O)=O)[C](C)(CC(O)=O)C6=O)[C](C)(CC(O)=O)C5=O;Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7C(C6=O)(C)CC(=O)O)C(=O)C(C8=C2)(C)CC(=O)O)C)CCC(=O)O","InChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/t33-,34-;/m1./s1","","1999-07-08","2023-09-23","",""],["DHF","DIHYDROFOLIC ACID","C19 H21 N7 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCC2=NC=3C(=O)N=C(NC=3NC2)N)CCC(=O)O;NC1=NC(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N","InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",""],["WIV","6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide","C21 H22 N6 O","CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4nn(C)cc4c3)C5CC5;CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn(n5)C","InChI=1S/C21H22N6O/c1-12(2)27-20-17(10-22-27)16(9-19(24-20)13-4-5-13)21(28)23-15-6-7-18-14(8-15)11-26(3)25-18/h6-13H,4-5H2,1-3H3,(H,23,28)","","2023-05-15","2023-08-25","6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide","2023-08-30"],["DHG","PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER","C20 H42 N O6 P","O=P(OCC(NC(=O)CCCCCCCCCCC)CCCC)(OCCO)O;CCCCCCCCCCCC(=O)N[CH](CCCC)CO[P](O)(=O)OCCO;CCCCCCCCCCCC(=O)NC(CCCC)COP(=O)(O)OCCO","InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1","","1999-07-08","2011-06-04","(2R)-2-(dodecanoylamino)hexyl 2-hydroxyethyl hydrogen (R)-phosphate",""],["WIW","(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","C26 H24 N2 O7 S","COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Sc4ncccn4)c5cc6OCOc6cc25;COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)Sc6ncccn6)OCO4","InChI=1S/C26H24N2O7S/c1-30-19-7-13(8-20(31-2)23(19)32-3)21-14-9-17-18(35-12-34-17)10-15(14)24(16-11-33-25(29)22(16)21)36-26-27-5-4-6-28-26/h4-10,16,21-22,24H,11-12H2,1-3H3/t16-,21+,22-,24+/m0/s1","","2023-10-05","2024-10-04","(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","2024-10-09"],["WIX","(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C23 H34 Cl N3 O9 S","Clc1cccc(c1)C(C)(O)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[C](C)(O)c1cccc(Cl)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(c2cccc(c2)Cl)O","InChI=1S/C23H34ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,11,13-14,17-18,21,30,32H,7-10,12H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21-,23-/m0/s1","","2022-09-13","2024-09-27","(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-21"],["DHH","(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID","C7 H15 N O4","O=C(O)C(N)CCCCC(O)O;N[CH](CCCCC(O)O)C(O)=O;C(CCC(O)O)CC(C(=O)O)N","InChI=1S/C7H15NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5-6,9-10H,1-4,8H2,(H,11,12)/t5-/m0/s1","","2004-06-15","2011-06-04","(2S)-2-amino-7,7-dihydroxyheptanoic acid",""],["WIY","4,4,4-trifluorobutan-1-ol","C4 H7 F3 O","FC(F)(F)CCCO;OCCCC(F)(F)F;C(CC(F)(F)F)CO","InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2","","2023-05-15","2023-11-10","4,4,4-trifluorobutan-1-ol","2023-11-15"],["DHI","D-HISTIDINE","C6 H10 N3 O2","O=C(O)C(N)Cc1cnc[nH+]1;N[CH](Cc1c[nH]c[nH+]1)C(O)=O;c1c([nH+]c[nH]1)CC(C(=O)O)N","InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1","","1999-09-08","2023-11-03","3-(1H-imidazol-3-ium-4-yl)-D-alanine",""],["WIZ","3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid","C25 H23 Br N4 O5","C[CH](NC(=O)CC(=O)Nc1ccc(cc1)C(N)=N)c2ccc(Oc3cccc(c3)C(O)=O)c(Br)c2;CC(c1ccc(c(c1)Br)Oc2cccc(c2)C(=O)O)NC(=O)CC(=O)Nc3ccc(cc3)C(=N)N","InChI=1S/C25H23BrN4O5/c1-14(29-22(31)13-23(32)30-18-8-5-15(6-9-18)24(27)28)16-7-10-21(20(26)12-16)35-19-4-2-3-17(11-19)25(33)34/h2-12,14H,13H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/t14-/m0/s1","","2023-10-04","2024-10-04","3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid","2024-10-09"],["DHJ","4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORYL]-3-OXOBUTANOIC ACID","C7 H11 O7 P","O=C(O)CCP(=O)(O)CC(=O)CC(=O)O;OC(=O)CC[P](O)(=O)CC(=O)CC(O)=O;C(CP(=O)(CC(=O)CC(=O)O)O)C(=O)O","InChI=1S/C7H11O7P/c8-5(3-7(11)12)4-15(13,14)2-1-6(9)10/h1-4H2,(H,9,10)(H,11,12)(H,13,14)","4-[(2-CARBOXYETHYL)HYDROXYPHOSPHINYL] 3-OXOBUTYRIC ACID","2006-08-10","2020-06-17","4-[(R)-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid",""],["DHK","3-DEHYDROSHIKIMATE","C7 H10 O5","O=C(O)C1C=C(O)C(O)C(O)C1;O[CH]1C[CH](C=C(O)[CH]1O)C(O)=O;C1C(C=C(C(C1O)O)O)C(=O)O","InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,3,5-6,8-10H,2H2,(H,11,12)/t3-,5-,6-/m1/s1","","2002-01-22","2024-09-27","(1S,4S,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid",""],["WJ0","(1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid","C23 H32 Cl N3 O9 S","O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC(C)(O)c1cccc(Cl)c1)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OC[C](C)(O)c1cccc(Cl)c1)C(=O)N[CH](C[CH]2CC=NC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(c2cccc(c2)Cl)O","InChI=1S/C23H32ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,8,11,13-14,17-18,21,30,32H,7,9-10,12H2,1-3H3,(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21+,23+/m0/s1","","2022-09-13","2024-09-27","(1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid","2022-09-21"],["WJ1","(S)-2-chloro-3-phenylpropanoic acid","C9 H9 Cl O2","OC(=O)[CH](Cl)Cc1ccccc1;c1ccc(cc1)CC(C(=O)O)Cl","InChI=1S/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1","","2012-03-02","2013-03-08","(2S)-2-chloranyl-3-phenyl-propanoic acid","2013-03-13"],["DHL","2-AMINO-ETHANETHIOL","C2 H7 N S","SCCN;NCCS;C(CS)N","InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2","2,3-DESHYDROLANTHIONINE","1999-11-22","2025-04-09","2-aminoethanethiol",""],["DHM","2,6-DIMETHYL-7-OCTEN-2-OL","C10 H20 O","OC(C)(C)CCCC(C=C)C;C[CH](CCCC(C)(C)O)C=C;CC(CCCC(C)(C)O)C=C","InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m0/s1","","2000-03-13","2011-06-04","(6R)-2,6-dimethyloct-7-en-2-ol",""],["WJ2","(2R)-2-chloro-3-phenylpropanoic acid","C9 H9 Cl O2","ClC(C(=O)O)Cc1ccccc1;OC(=O)[CH](Cl)Cc1ccccc1;c1ccc(cc1)CC(C(=O)O)Cl","InChI=1S/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m1/s1","","2012-09-25","2013-05-31","(2R)-2-chloro-3-phenylpropanoic acid","2013-06-05"],["DHN","5-HYDROXY NORVALINE","C5 H11 N O3","O=C(O)C(N)CCCO;N[CH](CCCO)C(O)=O;C(CC(C(=O)O)N)CO","InChI=1/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H","","1999-07-08","2009-01-07","5-hydroxy-L-norvaline",""],["WJ3","2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol","C9 H4 Cl2 F6 O2","Clc1cc(cc(Cl)c1O)C(O)(C(F)(F)F)C(F)(F)F;Oc1c(Cl)cc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F;c1c(cc(c(c1Cl)O)Cl)C(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C9H4Cl2F6O2/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,18-19H","","2023-05-15","2023-06-09","2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol","2023-06-14"],["WJ4","4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine","C7 H10 Cl N3 O S","n1c(c(Cl)sn1)CN2CCOCC2;Clc1snnc1CN2CCOCC2;C1COCCN1Cc2c(snn2)Cl","InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2","","2020-10-30","2020-11-06","4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine","2020-11-11"],["DHO","DEOXYCHOLIC ACID","C24 H40 O4","O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/f/h27H","","2000-09-08","2008-10-14","(3beta,5beta,9beta,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid",""],["DHP","3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROLINE","C14 H23 N O3","O=C1C(=C(O)C(=O)N1)CCCCCCCCCC;CCCCCCCCCCC1=C(O)C(=O)NC1=O;CCCCCCCCCCC1=C(C(=O)NC1=O)O","InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)","","1999-07-08","2011-06-04","3-decyl-4-hydroxy-1H-pyrrole-2,5-dione",""],["WJ5","(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide","C21 H23 Cl2 N3 O3 S","Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CN(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl;Cc1ccc(cc1)S(=O)(=O)N2CC3CN(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl","InChI=1S/C21H23Cl2N3O3S/c1-14-2-6-19(7-3-14)30(28,29)26-12-16-10-25(11-17(16)13-26)21(27)24-9-15-4-5-18(22)8-20(15)23/h2-8,16-17H,9-13H2,1H3,(H,24,27)/t16-,17+","1''-3'gc(etheno)ADPR","2023-10-05","2024-02-09","(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide","2024-02-14"],["DHQ","3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE","C10 H11 N O","O=C2c1cccc(c1CCN2)C;Cc1cccc2C(=O)NCCc12;Cc1cccc2c1CCNC2=O","InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)","","1999-07-08","2011-06-04","5-methyl-3,4-dihydroisoquinolin-1(2H)-one",""],["WJ6","1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide","C44 H51 N13 O7","Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(C(N)=O)c3oc(C)cc3c2n1CC=CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN3CCOCC3)c21)C(N)=O;CCn1nc(C)cc1C(=O)Nc2nc3cc(cc(OCCCN4CCOCC4)c3n2CC=CCn5c(NC(=O)c6cc(C)nn6CC)nc7cc(C(N)=O)c8oc(C)cc8c57)C(N)=O;CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CC=CCn4c5c6cc(oc6c(cc5nc4NC(=O)c7cc(nn7CC)C)C(=O)N)C)OCCCN8CCOCC8)C(=O)N","InChI=1S/C44H51N13O7/c1-6-56-33(19-25(3)51-56)41(60)49-43-48-32-24-30(40(46)59)38-29(21-27(5)64-38)36(32)54(43)12-8-9-13-55-37-31(47-44(55)50-42(61)34-20-26(4)52-57(34)7-2)22-28(39(45)58)23-35(37)63-16-10-11-53-14-17-62-18-15-53/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,45,58)(H2,46,59)(H,47,50,61)(H,48,49,60)/b9-8+","","2022-09-13","2022-12-23","1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide","2022-12-28"],["WJ7","2-bromo-4-fluoro-N,N-dimethylbenzamide","C9 H9 Br F N O","c1cc(cc(Br)c1C(N(C)C)=O)F;CN(C)C(=O)c1ccc(F)cc1Br;CN(C)C(=O)c1ccc(cc1Br)F","InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3","","2020-10-30","2020-11-06","2-bromo-4-fluoro-N,N-dimethylbenzamide","2020-11-11"],["DHR","(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE","C8 H7 N O2","N#CC(O)c1ccc(O)cc1;O[CH](C#N)c1ccc(O)cc1;c1cc(ccc1C(C#N)O)O","InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1","","2000-07-19","2011-06-04","(2S)-hydroxy(4-hydroxyphenyl)ethanenitrile",""],["DHS","3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE","C7 H10 N O4","[O-]C(=O)C1=CC(N)C(O)C(O)C1;N[CH]1C=C(C[CH](O)[CH]1O)C([O-])=O;C1C(C(C(C=C1C(=O)[O-])N)O)O","InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/p-1/t4-,5+,6+/m0/s1","","1999-07-08","2024-09-27","(3S,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylate",""],["WJ8","(8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C12 H9 Cl N4 O","O=C1C=C(Nc2nc(nn12)c1ccccc1)CCl;ClCC1=CC(=O)n2nc(nc2N1)c3ccccc3;c1ccc(cc1)c2nc3n(n2)C(=O)C=C(N3)CCl","InChI=1S/C12H9ClN4O/c13-7-9-6-10(18)17-12(14-9)15-11(16-17)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)","","2023-05-15","2023-06-09","(8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2023-06-14"],["DHT","5-ALPHA-DIHYDROTESTOSTERONE","C19 H30 O2","O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C;C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O;CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C","InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1","","1999-07-08","2011-06-04","(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one",""],["WJ9","Exarafenib","C26 H34 F3 N5 O3","C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C;Cc1ccc(cc1c2cc(nc(c2)N3CCOCC3)NC(C)CO)NC(=O)N4CCC(C4)CC(F)(F)F","InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1","(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide","2023-10-05","2024-11-11","(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide","2024-01-24"],["DHU","5,6-DIHYDROURIDINE-5'-PHOSPHATE","C9 H15 N2 O9 P","O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O;C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O","InChI=1/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17H","","1999-07-08","2009-01-07","5'-uridylic acid",""],["WJA","N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide","C6 H10 N2 O3 S","n1c(CS(NC)(=O)=O)cc(o1)C;CN[S](=O)(=O)Cc1cc(C)on1;Cc1cc(no1)CS(=O)(=O)NC","InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3","","2020-10-30","2020-11-06","N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide","2020-11-11"],["DHV","3-hydroxy-D-valine","C5 H11 N O3","O=C(O)C(N)C(O)(C)C;CC(C)(O)[CH](N)C(O)=O;CC(C)(C(C(=O)O)N)O","InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1","D-beta-hydroxyvaline","2008-06-03","2024-09-27","3-hydroxy-D-valine",""],["WJB","(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H37 N3 O10 S2","CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)[S](=O)(=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O)(=O)c2ccccc2","InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22+/m0/s1","","2022-09-13","2024-09-27","(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-09-21"],["WJC","5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid","C21 H19 N O3","Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O;Cc1ccc(c(c1)C(=O)O)Nc2cccc(c2)OCc3ccccc3","InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24)","","2023-05-15","2023-11-17","5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid","2023-11-22"],["DHY","2-(3,4-DIHYDROXYPHENYL)ACETIC ACID","C8 H8 O4","O=C(O)Cc1cc(O)c(O)cc1;OC(=O)Cc1ccc(O)c(O)c1;c1cc(c(cc1CC(=O)O)O)O","InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)","","1999-07-08","2011-06-04","(3,4-dihydroxyphenyl)acetic acid",""],["WJD","2-methoxy-N-phenylacetamide","C9 H11 N O2","c1ccccc1NC(COC)=O;COCC(=O)Nc1ccccc1;COCC(=O)Nc1ccccc1","InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)","","2020-10-30","2020-11-06","2-methoxy-N-phenylacetamide","2020-11-11"],["DHZ","3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE NUCLEOSIDE","C9 H14 N2 O5","O=C1NCC=CN1C2OC(C(O)C2O)CO;OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CCNC2=O;C1C=CN(C(=O)N1)C2C(C(C(O2)CO)O)O","InChI=1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1,3,5-8,12-14H,2,4H2,(H,10,15)/t5-,6-,7-,8-/m1/s1","","1999-07-08","2011-06-04","1-beta-D-ribofuranosyl-3,4-dihydropyrimidin-2(1H)-one",""],["WJE","(4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one","C19 H13 Br2 N O3","Oc1c(Br)cc2oc3c(CCC(=O)C3=CNc4ccccc4)c2c1Br;c1ccc(cc1)NC=C2c3c(c4c(o3)cc(c(c4Br)O)Br)CCC2=O","InChI=1S/C19H13Br2NO3/c20-13-8-15-16(17(21)18(13)24)11-6-7-14(23)12(19(11)25-15)9-22-10-4-2-1-3-5-10/h1-5,8-9,22,24H,6-7H2","","2023-10-05","2024-10-11","(4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one","2024-10-16"],["DI","2'-DEOXYINOSINE-5'-MONOPHOSPHATE","C10 H13 N4 O7 P","O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNC2=O","InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1","","2001-06-01","2011-06-04","2'-deoxy-5'-inosinic acid",""],["DI0","Dirithromycin","C42 H78 N2 O14","COC1(C)CC(OC(C1O)C)OC3C(C)C(=O)OC(CC)C(C)(O)C2C(C)C(NC(O2)COCCOC)C(CC(C(C3C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C;CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)[CH]4N[CH](COCCOC)O[CH]([CH]4C)[C]1(C)O;CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)NC(O2)COCCOC)C)(C)O","InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethy\nl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7\n-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","2019-03-29","2020-06-17","(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside","2019-04-17"],["WJF","(2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol","C24 H29 Cl N4 O5","OCC1C(O)C(O)C(O)CN1CCc1ccc(cc1)CCNc1cc(Cl)cc(c1)c1ncon1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCc2ccc(CCNc3cc(Cl)cc(c3)c4nocn4)cc2;c1cc(ccc1CCNc2cc(cc(c2)Cl)c3ncon3)CCN4CC(C(C(C4CO)O)O)O","InChI=1S/C24H29ClN4O5/c25-18-9-17(24-27-14-34-28-24)10-19(11-18)26-7-5-15-1-3-16(4-2-15)6-8-29-12-21(31)23(33)22(32)20(29)13-30/h1-4,9-11,14,20-23,26,30-33H,5-8,12-13H2/t20-,21+,22-,23-/m1/s1","","2022-09-14","2023-02-17","(2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["DI1","4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide","C30 H31 F3 N4 O3","O=C5Nc4c(cc(Oc1c(ccc(c1)NC(=O)c2ccc(c(c2)C(F)(F)F)CN3CCN(CC)CC3)C)cc4)C5;CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Oc4ccc5NC(=O)Cc5c4)c3;CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C","InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)","","2013-04-25","2014-09-05","4-[(4-ethylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(2-oxo-2,3-dihydro-1H-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide","2013-08-28"],["WJG","(S)-1-(4-methoxyphenyl)-1-phenylmethanamine","C14 H15 N O","c2(C(N)c1ccccc1)ccc(OC)cc2;COc1ccc(cc1)[CH](N)c2ccccc2;COc1ccc(cc1)C(c2ccccc2)N","InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3","","2020-10-30","2020-11-06","(S)-1-(4-methoxyphenyl)-1-phenylmethanamine","2020-11-11"],["WJH","4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid","C20 H21 N3 O5 S","O=C(O)C=1COCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1;OC(=O)C1=C(CCOC1)C(=O)Nc2sc3CCCCc3c2c4onc(n4)C5CC5;C1CCc2c(c(c(s2)NC(=O)C3=C(COCC3)C(=O)O)c4nc(no4)C5CC5)C1","InChI=1S/C20H21N3O5S/c24-17(11-7-8-27-9-13(11)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)","","2023-05-15","2023-06-09","4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid","2023-06-14"],["DI2","AC-(D)PHE-PRO-BOROLYS-OH","C21 H33 B N4 O5","O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2;CC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCCN)B(O)O;B(C(CCCCN)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)C)(O)O","InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1","","1999-07-08","2024-09-27","N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide",""],["WJI","(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide","C19 H23 Br N4 O","CC(C)CC1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C;CC(C)C[CH]1[CH](C(=O)Nc2ccc(c(Br)n2)c3ncccn3)C1(C)C;CC(C)CC1C(C1(C)C)C(=O)Nc2ccc(c(n2)Br)c3ncccn3","InChI=1S/C19H23BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-9,11,13,15H,10H2,1-4H3,(H,23,24,25)/t13-,15+/m0/s1","","2023-10-05","2024-09-06","(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide","2024-09-11"],["DI3","AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH","C22 H34 B N5 O5","O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2;CC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCCC(N)=N)B(O)O;B(C(CCCCC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)C)(O)O","InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1","","1999-07-08","2024-09-27","N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide",""],["DI4","AC-(D)PHE-PRO-BOROHOMOLYS-OH","C22 H35 B N4 O5","O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2;CC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCCCN)B(O)O;B(C(CCCCCN)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)C)(O)O","InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1","","1999-07-08","2024-09-27","N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide",""],["WJJ","(2R)-3-(4-bromophenyl)-2-methylpropanamide","C10 H12 Br N O","c1cc(ccc1CC(C)C(N)=O)Br;C[CH](Cc1ccc(Br)cc1)C(N)=O;CC(Cc1ccc(cc1)Br)C(=O)N","InChI=1S/C10H12BrNO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m1/s1","","2020-10-30","2020-11-06","(2R)-3-(4-bromophenyl)-2-methylpropanamide","2020-11-11"],["DI5","AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH","C20 H31 B N4 O5","O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2;CC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCN)B(O)O;B(C(CCCN)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)C)(O)O","InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1","","1999-07-08","2024-09-27","N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide",""],["WJK","(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine","C23 H22 N6 O","CCC1CN(Cc2ccc(cc2)c2ccccc2c2nnn[NH]2)c2ncccc2O1;CC[CH]1CN(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)c5ncccc5O1;CCC1CN(c2c(cccn2)O1)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5","InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1","","2022-09-14","2023-03-03","(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine","2023-03-08"],["WJL","6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide","C20 H20 N6 O","CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5;CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn[nH]5","InChI=1S/C20H20N6O/c1-11(2)26-19-16(10-22-26)15(8-18(24-19)12-3-4-12)20(27)23-14-5-6-17-13(7-14)9-21-25-17/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27)","","2023-05-16","2023-08-25","6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide","2023-08-30"],["DI6","3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID","C6 H8 N2 O4","O=C1NC(C(=O)N1)CCC(=O)O;OC(=O)CC[CH]1NC(=O)NC1=O;C(CC(=O)O)C1C(=O)NC(=O)N1","InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1","","2007-05-24","2011-06-04","3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid",""],["DI7","2,6-dimethyl-L-tyrosine","C11 H15 N O3","O=C(O)C(N)Cc1c(cc(O)cc1C)C;Cc1cc(O)cc(C)c1C[CH](N)C(O)=O;Cc1cc(cc(c1CC(C(=O)O)N)C)O","InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1","","2014-12-10","2024-09-27","2,6-dimethyl-L-tyrosine","2015-01-14"],["WJM","2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide","C11 H15 N3 O3","N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O;NC(=O)CN1CCN(CC1)C(=O)c2occc2;c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N","InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)","","2020-10-30","2020-11-06","2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide","2020-11-11"],["WJN","4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide","C14 H12 F3 N3 O3 S","O=S(N)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1;N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1;c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)","","2023-10-05","2024-12-13","4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide","2024-12-18"],["DI8","(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","C10 H11 N O2","O=C(O)C2NCc1ccccc1C2;OC(=O)[CH]1Cc2ccccc2CN1;c1ccc2c(c1)CC(NC2)C(=O)O","InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1","","2014-12-10","2024-09-27","(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","2015-01-14"],["DI9","DICYCLOPENTYL PHOSPHORAMIDATE","C10 H20 N O3 P","O=P(OC1CCCC1)(OC2CCCC2)N;N[P](=O)(OC1CCCC1)OC2CCCC2;C1CCC(C1)OP(=O)(N)OC2CCCC2","InChI=1S/C10H20NO3P/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10/h9-10H,1-8H2,(H2,11,12)","","2006-06-09","2011-06-04","dicyclopentyl amidophosphate",""],["WJO","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol","C24 H33 N3 O5","OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1)N1CCOCC1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1Cc2ccc(CNc3ccc(cc3)N4CCOCC4)cc2;c1cc(ccc1CNc2ccc(cc2)N3CCOCC3)CN4CC(C(C(C4CO)O)O)O","InChI=1S/C24H33N3O5/c28-16-21-23(30)24(31)22(29)15-27(21)14-18-3-1-17(2-4-18)13-25-19-5-7-20(8-6-19)26-9-11-32-12-10-26/h1-8,21-25,28-31H,9-16H2/t21-,22+,23-,24-/m1/s1","","2022-09-15","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol","2023-02-22"],["DIA","OCTANE 1,8-DIAMINE","C8 H20 N2","NCCCCCCCCN;NCCCCCCCCN;C(CCCCN)CCCN","InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2","1,8-DIAMINOOCTANE; OCTAMETHYLENEDIAMINE; 1,8-OCTANEDIAMINE","2001-01-25","2020-06-17","octane-1,8-diamine",""],["WJP","methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate","C26 H48 O7 P2","CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O;CO[P](O)(=O)O[P](O)(=O)OCC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC","InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1","dolichol-pp","2020-10-30","2021-03-01","methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate","2020-11-11"],["WJQ","(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione","C12 H10 Br N O4 S","Brc1cccc(c1)C1OCC2(CO1)SC(=O)NC2=O;Brc1cccc(c1)[CH]2OC[C]3(CO2)SC(=O)NC3=O;c1cc(cc(c1)Br)C2OCC3(CO2)C(=O)NC(=O)S3","InChI=1S/C12H10BrNO4S/c13-8-3-1-2-7(4-8)9-17-5-12(6-18-9)10(15)14-11(16)19-12/h1-4,9H,5-6H2,(H,14,15,16)/t9-,12+","","2023-05-15","2023-06-09","(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione","2023-06-14"],["DIB","3-AMINO-(DIMETHYLPROPYLAMINE)","C5 H14 N2","NCCCN(C)C;CN(C)CCCN;CN(C)CCCN","InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3","","2002-08-08","2024-09-27","N,N-dimethylpropane-1,3-diamine",""],["WJR","(2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C114 H199 N3 O54 P2","CCCCCCCCCCCC(=O)O[CH](CCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCC)OC(=O)C[CH](O)CCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](CCCCCCCC)OC(=O)CCCCCC)[CH](OC(=O)C[CH](O)CCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[C]5(C[CH](O[CH]6O[CH]([CH](O)[CH](O)[CH]6NC(C)=O)C(O)=O)[CH](O)[CH](O5)[CH](O)CO)C(O)=O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O;CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)OC3(CC(C(C(O3)C(CO)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)NC(=O)C)C(=O)O)OC5(CC(C(C(O5)C(CO)O)O)O)C(=O)O)C(=O)O)OCC6C(C(C(C(O6)OP(=O)(O)O)NC(=O)CC(CCCCCCCC)OC(=O)CCCCCC)OC(=O)CC(CCCCC)O)O)NC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)O","InChI=1S/C114H199N3O54P2/c1-9-16-23-29-32-33-35-40-47-54-85(131)157-73(52-45-39-34-30-24-17-10-2)59-88(134)163-103-91(117-83(129)58-72(51-43-37-27-20-13-5)158-86(132)55-70(123)49-42-36-26-19-12-4)106(154-66-80-94(137)102(162-87(133)56-69(122)48-41-22-15-7)90(108(160-80)171-173(151,152)153)116-82(128)57-71(50-44-38-31-25-18-11-3)156-84(130)53-46-28-21-14-6)161-81(101(103)170-172(148,149)150)67-155-112(109(142)143)62-79(165-113(110(144)145)60-74(124)92(135)97(166-113)75(125)63-118)100(99(168-112)77(127)65-120)169-114(111(146)147)61-78(93(136)98(167-114)76(126)64-119)159-107-89(115-68(8)121)95(138)96(139)104(164-107)105(140)141/h69-81,89-104,106-108,118-120,122-127,135-139H,9-67H2,1-8H3,(H,115,121)(H,116,128)(H,117,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,148,149,150)(H2,151,152,153)/t69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,106-,107-,108-,112-,113-,114+/m1/s1","","2023-10-05","2023-12-29","(2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2024-01-03"],["DIC","3,4-DICHLOROISOCOUMARIN","C9 H4 Cl2 O2","ClC=1OC(=O)c2ccccc2C=1Cl;ClC1=C(Cl)c2ccccc2C(=O)O1;c1ccc2c(c1)C(=C(OC2=O)Cl)Cl","InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H","","1999-07-08","2024-09-27","3,4-dichloro-1H-isochromen-1-one",""],["WJS","(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid","C24 H20 N O9 P","[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O;[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OCC(CO[PH](=O)(O)OCC(C(=O)O)[NH3])O","InChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1","","2020-10-30","2020-11-06","(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid","2020-11-11"],["DID","4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE","C20 H26 N4 O2","O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2;NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1;c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N","InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)","","2003-12-17","2011-06-04","4,4'-[hexane-1,6-diylbis(oxy)]dibenzenecarboximidamide",""],["WJT","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol","C25 H30 N4 O6 S","CS(=O)(=O)c1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1;C[S](=O)(=O)c1cc(NCc2ccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)cc2)cc(c1)c4cccnn4;CS(=O)(=O)c1cc(cc(c1)NCc2ccc(cc2)CN3CC(C(C(C3CO)O)O)O)c4cccnn4","InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-3-2-8-27-28-21)9-19(11-20)26-12-16-4-6-17(7-5-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1","","2022-09-16","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol","2023-02-22"],["DIE","2,6-diethylphenol","C10 H14 O","Oc1c(cccc1CC)CC;CCc1cccc(CC)c1O;CCc1cccc(c1O)CC","InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3","","2008-10-31","2011-06-04","2,6-diethylphenol",""],["WJU","(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one","C22 H19 Cl N4 O2","O=C1NN=C(O1)c1c(nc2ccc(Cl)cc2c1c1ccccc1)N1CCCCC1;Clc1ccc2nc(N3CCCCC3)c(C4=NNC(=O)O4)c(c5ccccc5)c2c1;c1ccc(cc1)c2c3cc(ccc3nc(c2C4=NNC(=O)O4)N5CCCCC5)Cl","InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)","","2023-05-15","2023-06-09","(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one","2023-06-14"],["DIF","2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID","C14 H11 Cl2 N O2","Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O;OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl;c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl","InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)","DICLOFENAC","2000-01-28","2020-06-17","{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid",""],["DIG","2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL","C6 H13 N O4","OC1C(NC(CO)C1O)CO;OC[CH]1N[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(N1)CO)O)O)O","InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1","","1999-07-08","2011-06-04","(2R,3R,4R,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol",""],["WJV","N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea","C20 H26 N4 O2 S","Cc1nc(NC(NCCOCCC(C)(C)C)=O)sc1C#Cc2ccncc2;Cc1nc(NC(=O)NCCOCCC(C)(C)C)sc1C#Cc2ccncc2;Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2","InChI=1S/C20H26N4O2S/c1-15-17(6-5-16-7-10-21-11-8-16)27-19(23-15)24-18(25)22-12-14-26-13-9-20(2,3)4/h7-8,10-11H,9,12-14H2,1-4H3,(H2,22,23,24,25)","","2020-10-30","2021-03-19","N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea","2021-03-24"],["DIH","7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","C12 H17 N4 O3","OC[CH]1C[NH+](C[CH]1O)Cc2c[nH]c3C(=O)NC=Nc23;c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3CC(C(C3)O)CO","InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+/m1/s1","","2002-11-05","2018-12-05","7-[[(3~{R},4~{R})-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one",""],["WJW","(2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","C114 H199 N3 O54 P2","CCCCCCCCCCCC(=O)O[CH](CCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCC)OC(=O)C[CH](O)CCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](CCCCCC)OC(=O)CCCCCC)[CH](OC(=O)C[CH](O)CCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[C]5(C[CH](O[CH]6O[CH]([CH](O)[CH](O)[CH]6NC(C)=O)C(O)=O)[CH](O)[CH](O5)[CH](O)CO)C(O)=O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O;CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)OC3(CC(C(C(O3)C(CO)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)NC(=O)C)C(=O)O)OC5(CC(C(C(O5)C(CO)O)O)O)C(=O)O)C(=O)O)OCC6C(C(C(C(O6)OP(=O)(O)O)NC(=O)CC(CCCCCC)OC(=O)CCCCCC)OC(=O)CC(CCCCC)O)O)NC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCCCC)O","InChI=1S/C114H199N3O54P2/c1-9-16-23-29-32-33-36-40-47-54-85(131)157-73(52-45-39-35-31-25-18-11-3)59-88(134)163-103-91(117-83(129)58-72(51-44-37-26-19-12-4)158-86(132)55-70(123)49-42-38-34-30-24-17-10-2)106(154-66-80-94(137)102(162-87(133)56-69(122)48-41-22-15-7)90(108(160-80)171-173(151,152)153)116-82(128)57-71(50-43-27-20-13-5)156-84(130)53-46-28-21-14-6)161-81(101(103)170-172(148,149)150)67-155-112(109(142)143)62-79(165-113(110(144)145)60-74(124)92(135)97(166-113)75(125)63-118)100(99(168-112)77(127)65-120)169-114(111(146)147)61-78(93(136)98(167-114)76(126)64-119)159-107-89(115-68(8)121)95(138)96(139)104(164-107)105(140)141/h69-81,89-104,106-108,118-120,122-127,135-139H,9-67H2,1-8H3,(H,115,121)(H,116,128)(H,117,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,148,149,150)(H2,151,152,153)/t69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,106-,107-,108-,112-,113-,114+/m1/s1","","2023-10-05","2023-12-29","(2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid","2024-01-03"],["WJX","(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide","C26 H34 F3 N7 O4 S","O=S(=O)(NC(=O)c1ccc(nc1N1CC(C)CC1(C)C)n1ccc(OCC(C)(C)C(F)(F)F)n1)c1cn(C)nc1C;C[CH]1CN(c2nc(ccc2C(=O)N[S](=O)(=O)c3cn(C)nc3C)n4ccc(OCC(C)(C)C(F)(F)F)n4)C(C)(C)C1;Cc1c(cn(n1)C)S(=O)(=O)NC(=O)c2ccc(nc2N3CC(CC3(C)C)C)n4ccc(n4)OCC(C)(C)C(F)(F)F","InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1","Elexacaftor","2022-09-16","2022-10-14","(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide","2022-10-19"],["DII","METHYLPHOSPHONIC ACID DIISOPROPYL ESTER","C7 H17 O3 P","O=P(OC(C)C)(OC(C)C)C;CC(C)O[P](C)(=O)OC(C)C;CC(C)OP(=O)(C)OC(C)C","InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3","","2000-06-14","2011-06-04","bis(1-methylethyl) methylphosphonate",""],["DIJ","3-(4-bromophenyl)propanal","C9 H9 Br O","Brc1ccc(CCC=O)cc1;c1cc(ccc1CCC=O)Br","InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2","","2022-04-13","2022-09-09","3-(4-bromophenyl)propanal","2022-09-14"],["WJZ","TIOPRONIN","C5 H9 N O3 S","C[CH](S)C(=O)NCC(O)=O;CC(C(=O)NCC(=O)O)S","InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1","THIOLA","2015-06-25","2021-03-01","2-[[(2S)-2-sulfanylpropanoyl]amino]ethanoic acid","2015-07-07"],["DIK","5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid","C18 H23 N O4","O=C(O)CCCC(=O)Nc1ccc(cc1)CCC(=O)C=C(/C)C;CC(C)=CC(=O)CCc1ccc(NC(=O)CCCC(O)=O)cc1;CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C","InChI=1S/C18H23NO4/c1-13(2)12-16(20)11-8-14-6-9-15(10-7-14)19-17(21)4-3-5-18(22)23/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,21)(H,22,23)","","2008-12-31","2024-09-27","5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid",""],["WK0","(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid","C18 H18 Br N O2","O=C(O)C1CCN(C)c2ccc(Br)cc2C1c1ccccc1;CN1CC[CH]([CH](c2ccccc2)c3cc(Br)ccc13)C(O)=O;CN1CCC(C(c2c1ccc(c2)Br)c3ccccc3)C(=O)O","InChI=1S/C18H18BrNO2/c1-20-10-9-14(18(21)22)17(12-5-3-2-4-6-12)15-11-13(19)7-8-16(15)20/h2-8,11,14,17H,9-10H2,1H3,(H,21,22)/t14-,17+/m0/s1","","2023-05-15","2023-06-09","(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid","2023-06-14"],["DIL","D-ISOLEUCINE","C6 H13 N O2","O=C(O)C(N)C(C)CC;CC[CH](C)[CH](N)C(O)=O;CCC(C)C(C(=O)O)N","InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1","","1999-07-08","2023-11-03","D-isoleucine",""],["WK1","(2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid","C25 H35 N O6","CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O;CC=C(C)C1C=CC2CC(CC(C2C1C(=C3C(=O)C(NC3=O)CC(C)(C(=O)O)O)O)C)C","InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1","","2019-07-03","2020-06-19","(2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid","2020-06-24"],["WK2","(7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine","C20 H21 N3 O","Nc1nc2cc(ccc2c(C)c1)c1ccc2OCCN(C)Cc2c1;CN1CCOc2ccc(cc2C1)c3ccc4c(C)cc(N)nc4c3;Cc1cc(nc2c1ccc(c2)c3ccc4c(c3)CN(CCO4)C)N","InChI=1S/C20H21N3O/c1-13-9-20(21)22-18-11-15(3-5-17(13)18)14-4-6-19-16(10-14)12-23(2)7-8-24-19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,21,22)","","2023-10-05","2024-03-08","(7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine","2024-03-13"],["DIM","DIIMIDAZOLE LEXITROPSIN","C14 H20 N9 O3","O=C(c2nc(NC(=O)c1nc(NC=O)cn1C)cn2C)NCCC(=[NH2+])N;Cn1cc(NC=O)nc1C(=O)Nc2cn(C)c(n2)C(=O)NCCC(N)=[NH2+];Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O","InChI=1S/C14H19N9O3/c1-22-5-9(18-7-24)19-12(22)14(26)21-10-6-23(2)11(20-10)13(25)17-4-3-8(15)16/h5-7H,3-4H2,1-2H3,(H3,15,16)(H,17,25)(H,18,24)(H,21,26)/p+1","","1999-07-08","2011-06-04","1-amino-3-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)propan-1-iminium",""],["WK3","N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium","C21 H29 N2 O","O=C(Nc1c(C)cccc1C)C[N+](Cc1ccccc1)(CC)CC;CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2;CC[N+](CC)(Cc1ccccc1)CC(=O)Nc2c(cccc2C)C","InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1","","2022-09-16","2023-04-07","N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium","2023-04-12"],["DIN","1,6-DIHYDROXY NAPHTHALENE","C10 H8 O2","Oc1cccc2c1ccc(O)c2;Oc1ccc2c(O)cccc2c1;c1cc2cc(ccc2c(c1)O)O","InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H","","2005-05-11","2011-06-04","naphthalene-1,6-diol",""],["WK4","2-(1H-imidazol-1-yl)ethyl dimethylcarbamate","C8 H13 N3 O2","c1cncn1CCOC(=O)N(C)C;CN(C)C(=O)OCCn1ccnc1;CN(C)C(=O)OCCn1ccnc1","InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3","","2020-10-30","2020-11-06","2-(1H-imidazol-1-yl)ethyl dimethylcarbamate","2020-11-11"],["DIO","1,4-DIETHYLENE DIOXIDE","C4 H8 O2","O1CCOCC1;C1COCCO1;C1COCCO1","InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2","","1999-07-08","2011-06-04","1,4-dioxane",""],["DIP","DIPENTYLAMINE","C10 H23 N","N(CCCCC)CCCCC;CCCCCNCCCCC;CCCCCNCCCCC","InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3","","1999-07-08","2024-09-27","N-pentylpentan-1-amine",""],["WK5","8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine","C20 H18 N O4","COc1ccc(cc1)c2c3c(oc4ccc(OC)cc34)cc(C)[n]2O;CC1=Cc2c(c3cc(ccc3o2)OC)C(=[N]1O)c4ccc(cc4)OC","InChI=1S/C20H18NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11,22H,1-3H3","","2023-05-16","2023-08-25","8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine","2023-08-30"],["DIQ","2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID","C11 H19 N O2","O=C(O)C2N(CC1CCCCC1C2)C;CN1C[CH]2CCCC[CH]2C[CH]1C(O)=O;CN1CC2CCCCC2CC1C(=O)O","InChI=1S/C11H19NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10-/m0/s1","","1999-07-08","2011-06-04","(3S,4aS,8aS)-2-methyldecahydroisoquinoline-3-carboxylic acid",""],["WK6","L-gamma-glutamyl-S-(benzylcarbamothioyl)-L-cysteinylglycine","C18 H24 N4 O6 S2","O=C(O)C(N)CCC(=O)NC(CSC(=S)NCc1ccccc1)C(=O)NCC(=O)O;N[CH](CCC(=O)N[CH](CSC(=S)NCc1ccccc1)C(=O)NCC(O)=O)C(O)=O;c1ccc(cc1)CNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C18H24N4O6S2/c19-12(17(27)28)6-7-14(23)22-13(16(26)20-9-15(24)25)10-30-18(29)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,26)(H,21,29)(H,22,23)(H,24,25)(H,27,28)/t12-,13+/m0/s1","","2023-10-05","2025-03-14","L-gamma-glutamyl-S-(benzylcarbamothioyl)-L-cysteinylglycine","2025-03-19"],["DIR","3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE","C4 H10 N4 O3","O=C(O)C(N)CNC(=NO)N;N[CH](CNC(N)=NO)C(O)=O;C(C(C(=O)O)N)NC(=NO)N","InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1","DINOR-N(OMEGA)-HYDROXY-L-ARGININE","2004-05-20","2021-03-01","3-(N''-hydroxycarbamimidamido)-L-alanine",""],["WK7","3-fluoro-4-(piperazin-1-yl)benzonitrile","C11 H12 F N3","C2N(c1c(F)cc(C#N)cc1)CCNC2;Fc1cc(ccc1N2CCNCC2)C#N;c1cc(c(cc1C#N)F)N2CCNCC2","InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2","","2020-10-30","2020-11-06","3-fluoro-4-(piperazin-1-yl)benzonitrile","2020-11-11"],["DIS","DISORDERED SOLVENT","H2 O","O;O;O","InChI=1/H2O/h1H2","","1999-07-08","2008-10-14","water",""],["WK9","(1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid","C18 H25 N O5 S2","O=C(O)C1CCCCC1C(=O)NC1=SCC(C2=SCCC2)=C1C(=O)OC;COC(=O)C1=C(C[SH]=C1NC(=O)[CH]2CCCC[CH]2C(O)=O)C3=[SH]CCC3;COC(=O)C1=C(CS=C1NC(=O)C2CCCCC2C(=O)O)C3=SCCC3","InChI=1S/C18H25NO5S2/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h10-11,25-26H,2-9H2,1H3,(H,19,20)(H,21,22)/t10-,11+/m0/s1","","2023-05-15","2023-06-09","(1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid","2023-06-14"],["WKA","N-(2,1,3-benzoxadiazol-4-yl)acetamide","C8 H7 N3 O2","n2c1c(NC(C)=O)cccc1no2;CC(=O)Nc1cccc2nonc12;CC(=O)Nc1cccc2c1non2","InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)","","2020-10-30","2020-11-06","N-(2,1,3-benzoxadiazol-4-yl)acetamide","2020-11-11"],["DIT","DITERCALINIUM","C46 H50 N6 O2","O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CCN%10CCC(C9CCN(CC[n+]8cc7c6c5cc(OC)ccc5nc6ccc7cc8)CC9)CC%10)C;COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)cc4c3c2c1;COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC","InChI=1S/C46H48N6O2/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3/p+2","","1999-07-08","2011-06-04","2,2'-(4,4'-bipiperidine-1,1'-diyldiethane-2,1-diyl)bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)",""],["DIU","2-HYDROXY-3,5-DIIODO-BENZOIC ACID","C7 H4 I2 O3","Ic1cc(C(=O)O)c(O)c(I)c1;OC(=O)c1cc(I)cc(I)c1O;c1c(cc(c(c1C(=O)O)O)I)I","InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)","2-HYDROXY-3,5-DIIODOBENZOIC ACID","2005-07-26","2020-06-17","2-hydroxy-3,5-diiodobenzoic acid",""],["WKC","5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide","C25 H34 N8 O2","NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCC(C1)N1CCN(C)C1=O;CN1CCN([CH]2CCCN(C2)c3cnc(C(N)=O)c(Nc4ccc(cc4)C5CCNCC5)n3)C1=O;CN1CCN(C1=O)C2CCCN(C2)c3cnc(c(n3)Nc4ccc(cc4)C5CCNCC5)C(=O)N","InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m1/s1","","2022-09-19","2023-02-10","5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide","2023-02-15"],["WKD","(2R)-2-(4-cyanophenoxy)propanamide","C10 H10 N2 O2","c1cc(OC(C)C(N)=O)ccc1C#N;C[CH](Oc1ccc(cc1)C#N)C(N)=O;CC(C(=O)N)Oc1ccc(cc1)C#N","InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)/t7-/m1/s1","","2020-10-30","2020-11-06","(2R)-2-(4-cyanophenoxy)propanamide","2020-11-11"],["DIV","D-ISOVALINE","C5 H11 N O2","O=C(O)C(N)(C)CC;CC[C](C)(N)C(O)=O;CCC(C)(C(=O)O)N","InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1","","1999-07-08","2024-09-27","D-isovaline",""],["DIW","1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium","C26 H29 N2 O3 S","O=S(=O)(O)CCC[n+]2c1c(cccc1)c(cc2)C=CC=C4N(c3ccccc3C4(C)C)C;CN1c2ccccc2C(C)(C)C1=CC=Cc3cc[n+](CCC[S](O)(=O)=O)c4ccccc34;CC1(c2ccccc2N(C1=CC=Cc3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C","InChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-16,18H,9,17,19H2,1-3H3/p+1","","2011-07-28","2012-03-16","1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium",""],["WKE","(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide","C11 H20 N2 O7","C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO;CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C(CO)O","InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1","","2023-05-17","2024-09-27","(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide","2024-04-03"],["DIX","METHYL(CYCLOPENTYL-PROPYL)AMINE","C9 H19 N","N(CCCC1CCCC1)C;CNCCCC1CCCC1;CNCCCC1CCCC1","InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3","","1999-07-08","2024-09-27","3-cyclopentyl-N-methylpropan-1-amine",""],["WKF","4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide","C35 H39 N7 O3 S","O=C1N[CH]2CS[CH](CCCCNC3CCC(CC3)(C(=O)Nc4cccc5cccnc45)C(=O)Nc6cccc7cccnc67)[CH]2N1;c1cc2cccnc2c(c1)NC(=O)C3(CCC(CC3)NCCCCC4C5C(CS4)NC(=O)N5)C(=O)Nc6cccc7c6nccc7","InChI=1S/C35H39N7O3S/c43-32(39-25-11-3-7-22-9-5-19-37-29(22)25)35(33(44)40-26-12-4-8-23-10-6-20-38-30(23)26)16-14-24(15-17-35)36-18-2-1-13-28-31-27(21-46-28)41-34(45)42-31/h3-12,19-20,24,27-28,31,36H,1-2,13-18,21H2,(H,39,43)(H,40,44)(H2,41,42,45)/t27-,28-,31-/m0/s1","","2023-10-06","2024-02-02","4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide","2024-02-07"],["WKG","1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one","C13 H23 N O","C1C2(CCCCC1)CCCN(C(C)=O)C2;CC(=O)N1CCCC2(CCCCCC2)C1;CC(=O)N1CCCC2(C1)CCCCCC2","InChI=1S/C13H23NO/c1-12(15)14-10-6-9-13(11-14)7-4-2-3-5-8-13/h2-11H2,1H3","","2020-10-30","2020-11-06","1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one","2020-11-11"],["DIY","5-BUTYLPIPERIDINE","C9 H19 N","N1CCCC(CCCC)C1;CCCC[CH]1CCCNC1;CCCCC1CCCNC1","InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1","","1999-07-08","2024-09-27","(3R)-3-butylpiperidine",""],["WKH","N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide","C12 H16 F2 N2 O","Fc1cc(F)ccc1C(C)NCC(=O)NCC;CCNC(=O)CN[CH](C)c1ccc(F)cc1F;CCNC(=O)CNC(C)c1ccc(cc1F)F","InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1","","2022-09-19","2022-10-28","N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide","2022-11-02"],["DIZ","(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID","C23 H15 Cl2 I N2 O4","Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2;OC(=O)[CH](N1[CH](C(=O)Nc2ccc(I)cc2C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4;c1cc(ccc1C2C(=O)Nc3ccc(cc3C(=O)N2C(c4ccc(cc4)Cl)C(=O)O)I)Cl","InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1","DI-CHLORO-BENZO-DIAZEPINE","2004-05-10","2021-03-01","(2S)-(4-chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]ethanoic acid",""],["DJ0","3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal","C16 H14 F2 O2","Fc1cc(F)c(OCc2ccccc2)c(CCC=O)c1;c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O","InChI=1S/C16H14F2O2/c17-14-9-13(7-4-8-19)16(15(18)10-14)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2","","2019-07-31","2020-03-20","3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal","2020-03-25"],["WKI","[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid","C20 H15 Cl O3","Clc1cc(Oc2ccccc2)c(cc1)c1cc(CC(=O)O)ccc1;OC(=O)Cc1cccc(c1)c2ccc(Cl)cc2Oc3ccccc3;c1ccc(cc1)Oc2cc(ccc2c3cccc(c3)CC(=O)O)Cl","InChI=1S/C20H15ClO3/c21-16-9-10-18(15-6-4-5-14(11-15)12-20(22)23)19(13-16)24-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,22,23)","","2023-05-15","2023-06-09","[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid","2023-06-14"],["DJ1","tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate","C30 H41 N5 O3 S","C4(NC(C(=O)NCc1cccnc1)CSCC(Cc2cnc3c2cccc3)NC(=O)OC(C)(C)C)CCCC4;CC(C)(C)OC(=O)N[CH](CSC[CH](NC1CCCC1)C(=O)NCc2cccnc2)Cc3c[nH]c4ccccc34;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCC(C(=O)NCc3cccnc3)NC4CCCC4","InChI=1S/C30H41N5O3S/c1-30(2,3)38-29(37)35-24(15-22-18-32-26-13-7-6-12-25(22)26)19-39-20-27(34-23-10-4-5-11-23)28(36)33-17-21-9-8-14-31-16-21/h6-9,12-14,16,18,23-24,27,32,34H,4-5,10-11,15,17,19-20H2,1-3H3,(H,33,36)(H,35,37)/t24-,27-/m0/s1","","2017-10-25","2017-12-08","tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate","2017-12-13"],["WKJ","(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol","C11 H14 Cl N O","c2(ccc(CN1CCC(C1)O)cc2)Cl;O[CH]1CCN(C1)Cc2ccc(Cl)cc2;c1cc(ccc1CN2CCC(C2)O)Cl","InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m1/s1","","2020-10-30","2020-11-06","(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol","2020-11-11"],["WKK","1-benzothiophen-3-ylboronic acid","C8 H7 B O2 S","OB(O)c1csc2ccccc21;OB(O)c1csc2ccccc12;B(c1csc2c1cccc2)(O)O","InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H","","2023-10-06","2024-10-11","1-benzothiophen-3-ylboronic acid","2024-10-16"],["DJ2","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol","C10 H14 N6 O4","NOC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CON)O)O)N","InChI=1S/C10H14N6O4/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(20-10)1-19-12/h2-4,6-7,10,17-18H,1,12H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1","","2018-01-17","2019-01-25","(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol","2019-01-30"],["DJ3","5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid","C20 H30 O3","CCCCCC=CCC=CC=CC=C[CH]1O[CH]1CCCC(O)=O;CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)O","InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1","","2017-03-23","2019-09-04","4-[(2~{S},3~{S})-3-[(1~{E},3~{E},5~{Z},8~{Z})-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid","2017-08-23"],["WKL","N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide","C9 H11 N3 O S","O=C(N(CCN)CC#N)c1cccs1;NCCN(CC#N)C(=O)c1sccc1;c1cc(sc1)C(=O)N(CCN)CC#N","InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2","","2022-09-20","2022-10-28","N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide","2022-11-02"],["WKM","(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one","C9 H18 N2 O2","C1OCCN(C(C(C(C)C)N)=O)C1;CC(C)[CH](N)C(=O)N1CCOCC1;CC(C)C(C(=O)N1CCOCC1)N","InChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1","","2020-10-30","2020-11-06","(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one","2020-11-11"],["DJ4","(2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol","C19 H20 F3 N3 O3","[O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccc(cc2)C(F)(F)F)C1;OCc1ccc(N[CH]2CCN(C2)Cc3ccc(cc3)C(F)(F)F)cc1[N+]([O-])=O;c1cc(ccc1CN2CCC(C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)C(F)(F)F","InChI=1S/C19H20F3N3O3/c20-19(21,22)15-4-1-13(2-5-15)10-24-8-7-17(11-24)23-16-6-3-14(12-26)18(9-16)25(27)28/h1-6,9,17,23,26H,7-8,10-12H2/t17-/m0/s1","","2017-10-25","2024-04-25","(2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol","2018-10-03"],["DJ5","N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide","C27 H52 N3 O8 P","O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC/C=CCCCCCC;CCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C27H52N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h9-10,25,33H,4-8,11-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/b10-9-/t25-/m0/s1","","2021-11-30","2024-09-27","N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2022-11-23"],["WKN","3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol","C17 H16 N2 O2","Cc1ccc(cc1Oc1ccccc1)Cc1cc(O)[NH]n1;Cc1ccc(Cc2cc(O)[nH]n2)cc1Oc3ccccc3;Cc1ccc(cc1Oc2ccccc2)Cc3cc([nH]n3)O","InChI=1S/C17H16N2O2/c1-12-7-8-13(9-14-11-17(20)19-18-14)10-16(12)21-15-5-3-2-4-6-15/h2-8,10-11H,9H2,1H3,(H2,18,19,20)","","2023-05-15","2023-06-09","3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol","2023-06-14"],["DJ6","2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide","C10 H6 Cl2 N2 O S","c2cc(NC(=O)c1cc(sc1Cl)Cl)cnc2;Clc1sc(Cl)c(c1)C(=O)Nc2cccnc2;c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl","InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)","","2016-03-15","2016-04-01","2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide","2016-04-06"],["WKO","2-O-acetyl-beta-D-xylopyranose","C7 H12 O6","OC1OCC(O)C(O)C1OC(C)=O;CC(=O)O[CH]1[CH](O)OC[CH](O)[CH]1O;CC(=O)OC1C(C(COC1O)O)O","InChI=1S/C7H12O6/c1-3(8)13-6-5(10)4(9)2-12-7(6)11/h4-7,9-11H,2H2,1H3/t4-,5+,6-,7-/m1/s1","","2023-10-06","2025-02-24","2-O-acetyl-beta-D-xylopyranose","2025-02-24"],["WKP","(4-methoxyphenyl)(piperidin-4-yl)methanone","C13 H17 N O2","C2NCCC(C(c1ccc(cc1)OC)=O)C2;COc1ccc(cc1)C(=O)C2CCNCC2;COc1ccc(cc1)C(=O)C2CCNCC2","InChI=1S/C13H17NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3","","2020-10-30","2020-11-06","(4-methoxyphenyl)(piperidin-4-yl)methanone","2020-11-11"],["DJ8","1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea","C25 H25 Cl N6 O3","Cc1cc(Cl)ccc1CNC(=O)Nc2ccc3cc2OCCOCCNc4ccn5ncc3c5n4;Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl","InChI=1S/C25H25ClN6O3/c1-16-12-19(26)4-2-18(16)14-28-25(33)30-21-5-3-17-13-22(21)35-11-10-34-9-7-27-23-6-8-32-24(31-23)20(17)15-29-32/h2-6,8,12-13,15H,7,9-11,14H2,1H3,(H,27,31)(H2,28,30,33)","","2021-12-15","2022-08-22","1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea","2022-01-26"],["DJ9","2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine","C23 H20 N4 O3","COc1c(OC)cc(cc1OC)c2c3c(ccn2)nc(n3)c4ccc5c(c4)ncc5;COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4ccc5cc[nH]c5c4;COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4","InChI=1S/C23H20N4O3/c1-28-18-11-15(12-19(29-2)22(18)30-3)20-21-16(7-9-25-20)26-23(27-21)14-5-4-13-6-8-24-17(13)10-14/h4-12,24H,1-3H3,(H,26,27)","","2018-01-24","2019-07-05","2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine","2019-07-10"],["WKR","4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione","C13 H15 N3 S2","CC(C)(C)SC1=NC(=S)N=C(N1)c1ccccc1;CC(C)(C)SC1=NC(=S)N=C(N1)c2ccccc2;CC(C)(C)SC1=NC(=S)N=C(N1)c2ccccc2","InChI=1S/C13H15N3S2/c1-13(2,3)18-12-15-10(14-11(17)16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)","","2023-05-15","2023-06-09","4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione","2023-06-14"],["WKS","2,4-dimethyl-6-(piperazin-1-yl)pyrimidine","C10 H16 N4","C1CNCCN1c2cc(C)nc(n2)C;Cc1cc(nc(C)n1)N2CCNCC2;Cc1cc(nc(n1)C)N2CCNCC2","InChI=1S/C10H16N4/c1-8-7-10(13-9(2)12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3","","2020-10-30","2020-11-06","2,4-dimethyl-6-(piperazin-1-yl)pyrimidine","2020-11-11"],["DJB","3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid","C10 H15 N O8","CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O;CC(=O)NC1C(C(C(OC1O)C(=O)O)O)OC(=O)C","InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1","alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid; 3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galacturonic acid;\n3-O-acetyl-2-acetamido-2-deoxy-D-galacturonic acid; 3-O-acetyl-2-acetamido-2-deoxy-galacturonic acid","2018-01-18","2020-07-17","(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-4-acetyloxy-3,6-bis(oxidanyl)oxane-2-carboxylic acid","2018-05-02"],["WKT","3-O-acetyl-beta-D-xylopyranose","C7 H12 O6","OC1C(OC(C)=O)C(O)COC1O;CC(=O)O[CH]1[CH](O)CO[CH](O)[CH]1O;CC(=O)OC1C(COC(C1O)O)O","InChI=1S/C7H12O6/c1-3(8)13-6-4(9)2-12-7(11)5(6)10/h4-7,9-11H,2H2,1H3/t4-,5-,6+,7-/m1/s1","","2023-10-06","2025-02-24","3-O-acetyl-beta-D-xylopyranose","2025-02-24"],["DJC","3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal","C16 H12 F4 O","Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F;c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F","InChI=1S/C16H12F4O/c17-13-7-8-15(16(18,19)20)14(10-13)12-5-3-11(4-6-12)2-1-9-21/h3-10H,1-2H2","","2019-07-31","2020-03-20","3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal","2020-03-25"],["WKV","N-[(5-bromo-2-methoxyphenyl)methyl]acetamide","C10 H12 Br N O2","C(c1c(OC)ccc(c1)Br)NC(=O)C;COc1ccc(Br)cc1CNC(C)=O;CC(=O)NCc1cc(ccc1OC)Br","InChI=1S/C10H12BrNO2/c1-7(13)12-6-8-5-9(11)3-4-10(8)14-2/h3-5H,6H2,1-2H3,(H,12,13)","","2020-10-30","2020-11-06","N-[(5-bromo-2-methoxyphenyl)methyl]acetamide","2020-11-11"],["DJD","4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine","C12 H13 N5 O2","NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O;Cc1nnc(nn1)c2ccc(C[CH](N)C(O)=O)cc2;Cc1nnc(nn1)c2ccc(cc2)CC(C(=O)O)N","InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1","","2017-10-26","2024-09-27","4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine","2019-10-02"],["WKW","2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid","C19 H21 N3 O4 S","O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCCC=1C(=O)O;Cc1sc(NC(=O)C2=C(CCCC2)C(O)=O)c(c1C)c3onc(n3)C4CC4;Cc1c(sc(c1c2nc(no2)C3CC3)NC(=O)C4=C(CCCC4)C(=O)O)C","InChI=1S/C19H21N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)","","2023-05-15","2023-06-09","2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid","2023-06-14"],["DJE","2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid","C8 H13 N O7","CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;CC(=O)NC1C(C(C(OC1O)C(=O)O)O)O","InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8+/m1/s1","alpha-D-2-N-acetylgalactosaminuronic acid; 2-acetamido-2-deoxy-alpha-D-galacturonic acid;\n2-acetamido-2-deoxy-D-galacturonic acid; 2-acetamido-2-deoxy-galacturonic acid","2018-01-18","2020-07-17","(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid","2018-05-02"],["DJF","[(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate","C20 H24 B N5 O10 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6cccc(OCCCO)c56)O[CH]34;[B-]12(c3c(cccc3OCCCO)CO1)OC4C(OC(C4O2)n5cnc6c5ncnc6N)COP(=O)(O)O","InChI=1S/C20H22BN5O9P/c22-18-15-19(24-9-23-18)26(10-25-15)20-17-16(13(33-20)8-32-36(28)29)34-21(35-17)14-11(7-31-21)3-1-4-12(14)30-6-2-5-27/h1,3-4,9-10,13,16-17,20,27H,2,5-8H2,(H2,22,23,24)/q-1/t13-,16-,17-,20-,21+/m1/s1","","2013-01-21","2013-04-12","[(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate","2013-04-17"],["WKY","N-(3-methylpyridin-4-yl)acetamide","C8 H10 N2 O","c1(cnccc1NC(C)=O)C;CC(=O)Nc1ccncc1C;Cc1cnccc1NC(=O)C","InChI=1S/C8H10N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)","","2020-10-30","2020-11-06","N-(3-methylpyridin-4-yl)acetamide","2020-11-11"],["WKZ","(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide","C27 H25 N5 O3 S","O=C1SCCN1C(=O)CCc1ccc(c2ccc(cc2)n2ccnc2)n1c1ccc(cc1C)C(N)=O;Cc1cc(ccc1n2c(CCC(=O)N3CCSC3=O)ccc2c4ccc(cc4)n5ccnc5)C(N)=O;Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)N5CCSC5=O)C(=O)N","InChI=1S/C27H25N5O3S/c1-18-16-20(26(28)34)4-9-23(18)32-22(8-11-25(33)31-14-15-36-27(31)35)7-10-24(32)19-2-5-21(6-3-19)30-13-12-29-17-30/h2-7,9-10,12-13,16-17H,8,11,14-15H2,1H3,(H2,28,34)","","2022-09-22","2023-09-15","(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide","2023-09-20"],["DJH","2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide","C25 H24 F3 N5 O3","Cc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c4ccc5[nH]ncc5c4)c12;Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F","InChI=1S/C25H24F3N5O3/c1-15-3-2-4-19-21(15)24(23(36)33(19)13-20(34)29-14-25(26,27)28)7-9-32(10-8-24)22(35)16-5-6-18-17(11-16)12-30-31-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,29,34)(H,30,31)","","2018-01-19","2018-11-23","2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide","2018-11-28"],["DJJ","5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine","C10 H17 Cl N3 O12 P3","C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)P(O)(O)=O)=O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O","InChI=1S/C10H17ClN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9-/m0/s1","","2017-10-26","2018-06-15","5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine","2018-06-20"],["WL0","3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid","C11 H12 N2 O3 S4","S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O;O[S](=O)(=O)CCCSC1=NN(C(=S)S1)c2ccccc2;c1ccc(cc1)N2C(=S)SC(=N2)SCCCS(=O)(=O)O","InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)","","2023-05-15","2023-06-09","3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid","2023-06-14"],["WL1","methyl 4-sulfanylbenzoate","C8 H8 O2 S","c1c(C(OC)=O)ccc(c1)S;COC(=O)c1ccc(S)cc1;COC(=O)c1ccc(cc1)S","InChI=1S/C8H8O2S/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3","","2020-10-30","2020-11-06","methyl 4-sulfanylbenzoate","2020-11-11"],["DJK","N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE","C17 H13 Br N4 O","Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C;Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1;C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br","InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)","","2006-08-02","2024-09-27","N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide",""],["WL2","(1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol","C10 H14 O4","Oc1ccc(cc1OC)C(O)CCO;COc1cc(ccc1O)[CH](O)CCO;COc1cc(ccc1O)C(CCO)O","InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m0/s1","","2023-10-06","2025-02-24","(1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol","2025-02-24"],["DJL","(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium","C15 H16 Cl F N O","Clc2ccc(c(F)c2Oc1ccccc1)C([NH3+])CC;CC[CH]([NH3+])c1ccc(Cl)c(Oc2ccccc2)c1F;CCC(c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+]","InChI=1S/C15H15ClFNO/c1-2-13(18)11-8-9-12(16)15(14(11)17)19-10-6-4-3-5-7-10/h3-9,13H,2,18H2,1H3/p+1/t13-/m1/s1","","2012-08-16","2012-09-28","(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium","2012-09-28"],["WL3","2-(4-fluorophenyl)carbonylbenzoic acid","C14 H9 F O3","OC(=O)c1ccccc1C(=O)c2ccc(F)cc2;c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O","InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)","","2015-08-18","2015-10-30","2-(4-fluorophenyl)carbonylbenzoic acid","2015-11-04"],["DJM","2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide","C13 H15 N3 O2 S","Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO;Cc1cc(C)cc(c1)n2ccnc2SCC(=O)NO;Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C","InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17)","","2017-10-27","2020-12-18","2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide","2020-12-23"],["DJN","N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide","C8 H16 N2 O4","O=C(NC1C(O)C(O)C(NC1)CO)C;CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O;CC(=O)NC1CNC(C(C1O)O)CO","InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1","2-acetamido-1,2-dideoxy-D-galacto-nojirimycin; DGJNAc","2012-02-14","2020-05-27","N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide","2012-10-05"],["WL4","N-(3-cyanophenyl)-2-methylpropanamide","C11 H12 N2 O","c1ccc(NC(C(C)C)=O)cc1C#N;CC(C)C(=O)Nc1cccc(c1)C#N;CC(C)C(=O)Nc1cccc(c1)C#N","InChI=1S/C11H12N2O/c1-8(2)11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)","","2020-10-30","2020-11-06","N-(3-cyanophenyl)-2-methylpropanamide","2020-11-11"],["DJO","(phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate","C17 H17 N O3","OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3;c1ccc(cc1)COC(=O)N2c3ccccc3CC2CO","InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1","Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate","2019-08-02","2021-03-01","(phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate","2020-03-25"],["WL6","4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid","C12 H11 Cl N2 O3","O=C(O)CCCc1nc(no1)c1ccc(Cl)cc1;OC(=O)CCCc1onc(n1)c2ccc(Cl)cc2;c1cc(ccc1c2nc(on2)CCCC(=O)O)Cl","InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)","","2023-05-15","2023-06-09","4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid","2023-06-14"],["DJP","5-fluoropyrimidin-2-ol","C4 H3 F N2 O","c1nc(O)ncc1F;Oc1ncc(F)cn1;c1c(cnc(n1)O)F","InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)","","2017-10-27","2018-11-02","5-fluoropyrimidin-2-ol","2018-11-07"],["WL7","4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide","C9 H14 N2 O3 S","c1c(ccc(c1)N)S(N(C)CCO)(=O)=O;CN(CCO)[S](=O)(=O)c1ccc(N)cc1;CN(CCO)S(=O)(=O)c1ccc(cc1)N","InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3","","2020-10-30","2020-11-06","4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide","2020-11-11"],["DJQ","3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","C27 H27 N7 O3","O=C(N1CCC2(CC1)N(CN(Cc3onc(n3)C4CC4)C2=O)c5ccccc5)c6ccc7[nH]ncc7c6;c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7","InChI=1S/C27H27N7O3/c35-25(19-8-9-22-20(14-19)15-28-30-22)32-12-10-27(11-13-32)26(36)33(17-34(27)21-4-2-1-3-5-21)16-23-29-24(31-37-23)18-6-7-18/h1-5,8-9,14-15,18H,6-7,10-13,16-17H2,(H,28,30)","","2018-01-19","2018-11-23","3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","2018-11-28"],["WL8","(1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol","C10 H14 O4","Oc1ccc(cc1OC)C(O)CCO;COc1cc(ccc1O)[CH](O)CCO;COc1cc(ccc1O)C(CCO)O","InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m1/s1","","2023-10-06","2025-02-24","(1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol","2025-02-24"],["DJR","(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE","C28 H38 N2 O8 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4;COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1","","2006-08-24","2011-06-04","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate",""],["WLA","1-[(oxan-4-yl)methyl]piperazine","C10 H20 N2 O","C1CN(CCN1)CC2CCOCC2;C1CN(CCN1)CC2CCOCC2;C1COCCC1CN2CCNCC2","InChI=1S/C10H20N2O/c1-7-13-8-2-10(1)9-12-5-3-11-4-6-12/h10-11H,1-9H2","","2020-10-30","2020-11-06","1-[(oxan-4-yl)methyl]piperazine","2020-11-11"],["DJS","2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide","C24 H34 N4 O4 S","c3(S(C)(=O)=O)cc(C(NC(C(C1NCCC1)O)Cc2ccccc2)=O)cc(n3)NC(CC)C;CC[CH](C)Nc1cc(cc(n1)[S](C)(=O)=O)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH]3CCCN3;CCC(C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)NC(Cc2ccccc2)C(C3CCCN3)O","InChI=1S/C24H34N4O4S/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30)/t16-,19+,20-,23+/m0/s1","","2017-10-28","2017-11-10","2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide","2017-11-15"],["WLB","2,3-bis(benzyloxy)benzoic acid","C21 H18 O4","O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1;OC(=O)c1cccc(OCc2ccccc2)c1OCc3ccccc3;c1ccc(cc1)COc2cccc(c2OCc3ccccc3)C(=O)O","InChI=1S/C21H18O4/c22-21(23)18-12-7-13-19(24-14-16-8-3-1-4-9-16)20(18)25-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23)","","2023-05-15","2023-06-09","2,3-bis(benzyloxy)benzoic acid","2023-06-14"],["WLC","(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol","C21 H26 O8","OCCC(O)c1cc2c(OC(C2CO)c2cc(OC)c(O)c(OC)c2)c(c1)OC;COc1cc(cc(OC)c1O)[CH]2Oc3c(OC)cc(cc3[CH]2CO)[CH](O)CCO;COc1cc(cc(c1O)OC)C2C(c3cc(cc(c3O2)OC)C(CCO)O)CO","InChI=1S/C21H26O8/c1-26-16-8-12(9-17(27-2)19(16)25)20-14(10-23)13-6-11(15(24)4-5-22)7-18(28-3)21(13)29-20/h6-9,14-15,20,22-25H,4-5,10H2,1-3H3/t14-,15+,20+/m1/s1","","2023-10-06","2025-02-24","(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol","2025-02-24"],["DJT","(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide","C25 H25 Cl F N3 O4 S","O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5;Fc1ccc(cc1)C2(CC2)C(=O)N3C[CH](C[CH]3C(=O)NC4(CC4)C=N)[S](=O)(=O)c5ccccc5Cl;[H]N=CC1(CC1)NC(=O)C2CC(CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl","InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1","","2010-10-15","2024-09-27","(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide",""],["DJU","N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine","C18 H20 N2 O","CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12;CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3","InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3","5-Benzyloxygramine","2019-08-02","2021-03-01","~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine","2020-03-25"],["WLD","(2S)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol","C10 H13 Cl2 N O","c1c(c(c(cc1)Cl)CNCC(C)O)Cl;C[CH](O)CNCc1c(Cl)cccc1Cl;CC(CNCc1c(cccc1Cl)Cl)O","InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m0/s1","","2020-10-30","2020-11-06","(2S)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol","2020-11-11"],["WLE","4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide","C14 H15 N3 O4 S","O=S(N)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1;COc1cccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1;COc1cccc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)","","2022-09-27","2023-09-22","4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide","2023-09-27"],["DJV","N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide","C22 H32 F2 N2 O3","O=C(NC(Cc1cc(cc(c1)F)F)C(O)C2NCC(C2)OCC3CCCCC3)C;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)[CH]2C[CH](CN2)OCC3CCCCC3;CC(=O)NC(Cc1cc(cc(c1)F)F)C(C2CC(CN2)OCC3CCCCC3)O","InChI=1S/C22H32F2N2O3/c1-14(27)26-21(9-16-7-17(23)10-18(24)8-16)22(28)20-11-19(12-25-20)29-13-15-5-3-2-4-6-15/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27)/t19-,20-,21+,22-/m1/s1","","2017-10-28","2017-11-10","N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide","2017-11-15"],["DJW","1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one","C27 H27 F3 N6 O4","COc1ccc2N(CC(=O)N3CCC[CH]3C(F)(F)F)C(=O)C4(CCN(CC4)C(=O)c5ccc6[nH]ncc6c5)c2n1;COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCCC6C(F)(F)F","InChI=1S/C27H27F3N6O4/c1-40-21-7-6-19-23(32-21)26(25(39)36(19)15-22(37)35-10-2-3-20(35)27(28,29)30)8-11-34(12-9-26)24(38)16-4-5-18-17(13-16)14-31-33-18/h4-7,13-14,20H,2-3,8-12,15H2,1H3,(H,31,33)/t20-/m0/s1","","2018-01-19","2018-11-23","1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one","2018-11-28"],["WLF","1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid","C14 H14 Cl F3 N2 O3","O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F;OC(=O)C1(CCCC1)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F;c1cc(c(cc1Cl)C(F)(F)F)NC(=O)NC2(CCCC2)C(=O)O","InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23)","","2023-05-15","2023-06-09","1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid","2023-06-14"],["DJX","N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine","C19 H23 N7 S","CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2;CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4","InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)","6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine","2019-08-02","2021-03-01","~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine","2019-11-27"],["WLG","1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one","C10 H15 F2 N O2","C2CN(CC1(CC1)C2)C(COC(F)F)=O;FC(F)OCC(=O)N1CCCC2(CC2)C1;C1CC2(CC2)CN(C1)C(=O)COC(F)F","InChI=1S/C10H15F2NO2/c11-9(12)15-6-8(14)13-5-1-2-10(7-13)3-4-10/h9H,1-7H2","","2020-10-30","2020-11-06","1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one","2020-11-11"],["WLH","2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE","C13 H20 N4 O","CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2;CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2","InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)","","2015-03-06","2015-07-24","2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one","2015-07-29"],["DJY","3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid","C28 H27 N5 O5","COc1cc(c(cc1[C@H]=C)C(=O)Nc2ccc(C(=N)N)cc2)c4ccc(C(=O)NCC3CC3)nc4C(O)=O;COc1cc(c(cc1C=C)C(=O)Nc2ccc(cc2)C(N)=N)c3ccc(nc3C(O)=O)C(=O)NCC4CC4;COc1cc(c(cc1C=C)C(=O)Nc2ccc(cc2)C(=N)N)c3ccc(nc3C(=O)O)C(=O)NCC4CC4","InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)","","2017-10-30","2018-10-26","3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid","2018-10-31"],["DJZ","3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile","C26 H29 N5 O3 S","N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(Cc2ccc(cc2)S(=O)(=O)C)CC3)c(c4)C)C;Cc1cc(cc(C)c1Oc2ccnc(NC3CCN(CC3)Cc4ccc(cc4)[S](C)(=O)=O)n2)C#N;Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N","InChI=1S/C26H29N5O3S/c1-18-14-21(16-27)15-19(2)25(18)34-24-8-11-28-26(30-24)29-22-9-12-31(13-10-22)17-20-4-6-23(7-5-20)35(3,32)33/h4-8,11,14-15,22H,9-10,12-13,17H2,1-3H3,(H,28,29,30)","","2010-03-19","2011-06-04","3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile",""],["WLI","4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)","C22 H26 O8","COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1;COc1cc(cc(OC)c1O)[CH]2OC[CH]3[CH]2CO[CH]3c4cc(OC)c(O)c(OC)c4;COc1cc(cc(c1O)OC)C2C3COC(C3CO2)c4cc(c(c(c4)OC)O)OC","InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14+,21-,22-/m1/s1","","2023-10-06","2025-02-24","4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)","2025-02-24"],["WLJ","(azepan-1-yl)(2,6-difluorophenyl)methanone","C13 H15 F2 N O","C1CN(CCCC1)C(c2c(cccc2F)F)=O;Fc1cccc(F)c1C(=O)N2CCCCCC2;c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F","InChI=1S/C13H15F2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2","","2020-10-30","2020-11-06","(azepan-1-yl)(2,6-difluorophenyl)methanone","2020-11-11"],["DK0","(2~{R})-1-phenylpropan-2-ol","C9 H12 O","C[CH](O)Cc1ccccc1;CC(Cc1ccccc1)O","InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1","","2019-08-06","2020-07-17","(2~{R})-1-phenylpropan-2-ol","2020-07-22"],["WLK","[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone","C24 H23 N7 O S","O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1;O=C(N1CC[CH](C1)Nc2nccc(n2)n3cc(nc3c4ccccc4)C5CC5)c6sccn6;c1ccc(cc1)c2nc(cn2c3ccnc(n3)NC4CCN(C4)C(=O)c5nccs5)C6CC6","InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1","","2022-09-28","2022-10-28","[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone","2022-11-02"],["DK1","5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID","C10 H5 Cl2 N O3","Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O;OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1;c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl","InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","DCKA; 5,7-DICHLOROKYNURENIC ACID","2003-06-03","2020-05-27","5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid",""],["WLL","N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide","C15 H13 N3 O3 S","O=C(C2=Nc1sccc1C(=O)N2)NCc3cccc(OC)c3;COc1cccc(CNC(=O)C2=Nc3sccc3C(=O)N2)c1;COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2","InChI=1S/C15H13N3O3S/c1-21-10-4-2-3-9(7-10)8-16-14(20)12-17-13(19)11-5-6-22-15(11)18-12/h2-7H,8H2,1H3,(H,16,20)(H,17,18,19)","","2013-01-22","2014-09-19","N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide","2014-09-24"],["DK2","2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID","C18 H13 N O7","O=C(O)C(N2C(=O)c1cc(ccc1C2=O)C(=O)O)Cc3ccc(O)cc3;OC(=O)[CH](Cc1ccc(O)cc1)N2C(=O)c3ccc(cc3C2=O)C(O)=O;c1cc(ccc1CC(C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O","InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26)/t14-/m1/s1","","2007-05-10","2011-06-04","2-[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",""],["WLM","5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE","C21 H23 Cl N4 O4 S2","COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)Nc3sc(nn3)C(C)C;CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl","InChI=1S/C21H23ClN4O4S2/c1-13(2)20-24-25-21(31-20)26-32(28,29)16-7-4-14(5-8-16)10-11-23-19(27)17-12-15(22)6-9-18(17)30-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,25,26)","","2010-11-18","2011-06-04","5-chloro-2-methoxy-N-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide",""],["DK3","methyl (3S)-3-hydroxydodecanoate","C13 H26 O3","O=C(OC)CC(O)CCCCCCCCC;CCCCCCCCC[CH](O)CC(=O)OC;CCCCCCCCCC(CC(=O)OC)O","InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3/t12-/m0/s1","","2008-11-05","2012-04-27","methyl (3S)-3-hydroxydodecanoate",""],["WLN","5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one","C16 H18 Cl N3 O3","Clc1cccc(c1)CC=1C(=NC(=O)N(C)C=1O)N1CCOCC1;CN1C(=C(Cc2cccc(Cl)c2)C(=NC1=O)N3CCOCC3)O;CN1C(=C(C(=NC1=O)N2CCOCC2)Cc3cccc(c3)Cl)O","InChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9,21H,5-8,10H2,1H3","","2023-05-15","2023-06-09","5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one","2023-06-14"],["DK4","1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione","C10 H12 F2 N2 O6","OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=C(F)C(=O)NC2=O;C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)F)O)F","InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6-,7-,9-/m1/s1","1-(3-deoxy-3-fluoro-beta-D-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione;\n1-(3-deoxy-3-fluoro-D-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione;\n1-(3-deoxy-3-fluoro-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione","2010-01-13","2020-07-17","5-fluoro-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione",""],["DK5","1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one","C17 H18 F N3 O5","OC[CH]1O[CH](C[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3;c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)C3CC(C(C(O3)CO)O)F","InChI=1S/C17H18FN3O5/c18-11-8-14(26-12(9-22)15(11)23)21-7-6-13(20-17(21)25)19-16(24)10-4-2-1-3-5-10/h1-7,11-12,14-15,22-23H,8-9H2,(H,19,20,24,25)/t11-,12-,14-,15+/m1/s1","","2010-01-13","2011-06-04","N-[1-[(2R,4R,5R,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide",""],["WLO","(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol","C11 H16 O5","COc1cc(cc(OC)c1O)C(O)CCO;COc1cc(cc(OC)c1O)[CH](O)CCO;COc1cc(cc(c1O)OC)C(CCO)O","InChI=1S/C11H16O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,8,12-14H,3-4H2,1-2H3/t8-/m0/s1","","2023-10-06","2025-02-24","(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol","2025-02-24"],["DK6","propane-1,1-diol","C3 H8 O2","CCC(O)O;CCC(O)O","InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3","","2019-08-07","2020-07-17","propane-1,1-diol","2020-07-22"],["WLP","2-chlorobenzene-1-thiol","C6 H5 Cl S","c1cccc(c1Cl)S;Sc1ccccc1Cl;c1ccc(c(c1)S)Cl","InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H","","2020-10-30","2024-09-27","2-chlorobenzene-1-thiol","2020-11-11"],["DK7","N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide","C22 H32 F2 N2 O4","c3(cc(CC(C(O)C2NCC(OCC1CCCCC1)OC2)NC(C)=O)cc(c3)F)F;CC(=O)N[CH](Cc1cc(F)cc(F)c1)[CH](O)[CH]2CO[CH](CN2)OCC3CCCCC3;CC(=O)NC(Cc1cc(cc(c1)F)F)C(C2COC(CN2)OCC3CCCCC3)O","InChI=1S/C22H32F2N2O4/c1-14(27)26-19(9-16-7-17(23)10-18(24)8-16)22(28)20-13-30-21(11-25-20)29-12-15-5-3-2-4-6-15/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27)/t19-,20+,21+,22-/m0/s1","","2017-10-30","2017-11-10","N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide","2017-11-15"],["WLQ","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol","C25 H30 N4 O4","Cc1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1;Cc1cc(NCc2ccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)cc2)cc(c1)c4cccnn4;Cc1cc(cc(c1)NCc2ccc(cc2)CN3CC(C(C(C3CO)O)O)O)c4cccnn4","InChI=1S/C25H30N4O4/c1-16-9-19(21-3-2-8-27-28-21)11-20(10-16)26-12-17-4-6-18(7-5-17)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1","","2022-09-28","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol","2023-02-22"],["DK8","2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione","C50 H70 O2","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)c2ccccc2C1=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)c2ccccc2C1=O)C)C)C)C)C)C)C)C","InChI=1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29-,44-31+,45-35+","demethlymenaquinone-8","2021-07-23","2021-12-10","2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione","2021-12-15"],["WLR","(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid","C15 H17 F3 O3","FC(F)(F)c1cc(OCC2CCCCC2C(=O)O)ccc1;OC(=O)[CH]1CCCC[CH]1COc2cccc(c2)C(F)(F)F;c1cc(cc(c1)OCC2CCCCC2C(=O)O)C(F)(F)F","InChI=1S/C15H17F3O3/c16-15(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(19)20/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,19,20)/t10-,13-/m0/s1","","2023-05-15","2023-06-09","(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid","2023-06-14"],["WLS","1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine","C11 H12 N2 S","c1(cccs1)CNCc2ccncc2;C(NCc1ccncc1)c2sccc2;c1cc(sc1)CNCc2ccncc2","InChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2","","2020-10-30","2020-11-06","1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine","2020-11-11"],["DK9","pentane-1,1-diol","C5 H12 O2","CCCCC(O)O;CCCCC(O)O","InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3","","2019-08-07","2020-07-17","pentane-1,1-diol","2020-07-22"],["DKA","DECANOIC ACID","C10 H20 O2","O=C(O)CCCCCCCCC;CCCCCCCCCC(O)=O;CCCCCCCCCC(=O)O","InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)","","2000-07-17","2024-09-27","decanoic acid",""],["WLU","(4R)-5-hydroxy-N-methyl-L-leucine","C7 H15 N O3","O=C(O)C(NC)CC(C)CO;CN[CH](C[CH](C)CO)C(O)=O;CC(CC(C(=O)O)NC)CO","InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1","","2013-06-18","2024-09-27","(4R)-5-hydroxy-N-methyl-L-leucine","2013-09-18"],["WLV","N-(3-fluorophenyl)-2-phenoxyacetamide","C14 H12 F N O2","C(Oc1ccccc1)C(=O)Nc2cccc(c2)F;Fc1cccc(NC(=O)COc2ccccc2)c1;c1ccc(cc1)OCC(=O)Nc2cccc(c2)F","InChI=1S/C14H12FNO2/c15-11-5-4-6-12(9-11)16-14(17)10-18-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)","","2020-10-30","2020-11-06","N-(3-fluorophenyl)-2-phenoxyacetamide","2020-11-11"],["DKB","[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate","C39 H78 N O8 P","CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN","InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1","","2022-04-13","2022-04-22","[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate","2022-04-27"],["DKD","(2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid","C23 H22 O3","O=C(O)C(Oc1ccc(cc1)CCc2ccccc2)Cc3ccccc3;OC(=O)[CH](Cc1ccccc1)Oc2ccc(CCc3ccccc3)cc2;c1ccc(cc1)CCc2ccc(cc2)OC(Cc3ccccc3)C(=O)O","InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1","","2009-06-03","2011-06-04","(2S)-3-phenyl-2-[4-(2-phenylethyl)phenoxy]propanoic acid",""],["WLW","(7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid","C49 H47 Cl F N7 O5 S","COc1ccccc1c1nccc(n1)COc1ccc2cc1CC(Oc1ncnc3sc(c(c13)c1ccc(CN(CCN3CCN(C)CC3)C2)c(Cl)c1C)c1ccc(F)cc1)C(=O)O;COc1ccccc1c2nccc(COc3ccc4CN(CCN5CCN(C)CC5)Cc6ccc(c(C)c6Cl)c7c(sc8ncnc(O[CH](Cc3c4)C(O)=O)c78)c9ccc(F)cc9)n2;Cc1c-2ccc(c1Cl)CN(Cc3ccc(c(c3)CC(Oc4c5c2c(sc5ncn4)c6ccc(cc6)F)C(=O)O)OCc7ccnc(n7)c8ccccc8OC)CCN9CCN(CC9)C","InChI=1S/C49H47ClFN7O5S/c1-30-37-14-11-33(44(30)50)27-58(23-22-57-20-18-56(2)19-21-57)26-31-8-15-39(62-28-36-16-17-52-46(55-36)38-6-4-5-7-40(38)61-3)34(24-31)25-41(49(59)60)63-47-43-42(37)45(64-48(43)54-29-53-47)32-9-12-35(51)13-10-32/h4-17,24,29,41H,18-23,25-28H2,1-3H3,(H,59,60)/t41-/m1/s1","","2022-09-28","2023-09-29","(7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid","2023-10-04"],["DKE","FcMaytansine","C59 H63 Cl N6 O15","CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)CCCCc3cn(CCCNC(=O)c4ccc(C(O)=O)c(c4)C5=C6C=CC(=O)[CH2]=C6Oc7cc(O)ccc57)nn3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O)O9;CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)[CH2]=C8Oc9c7ccc(c9)O)C(=O)O)C)C)OC)(NC(=O)O2)O","InChI=1S/C59H64ClN6O15/c1-32-11-9-13-48(77-6)59(75)30-47(79-57(74)62-59)33(2)54-58(3,81-54)49(29-50(69)65(4)43-24-34(23-32)25-46(76-5)53(43)60)80-51(70)14-8-7-12-36-31-66(64-63-36)22-10-21-61-55(71)35-15-18-39(56(72)73)42(26-35)52-40-19-16-37(67)27-44(40)78-45-28-38(68)17-20-41(45)52/h9,11,13,15-20,24-27,31,33,47-49,54,67,75H,7-8,10,12,14,21-23,28-30H2,1-6H3,(H,61,71)(H,62,74)(H,72,73)/b13-9+,32-11+/t33-,47+,48-,49+,54+,58+,59+/m1/s1","","2018-01-22","2026-03-26","","2018-05-30"],["WLX","isoquinolin-3-amine","C9 H8 N2","Nc1cc2ccccc2cn1;Nc1cc2ccccc2cn1;c1ccc2cnc(cc2c1)N","InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)","","2023-05-15","2023-06-09","isoquinolin-3-amine","2023-06-14"],["WLY","2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide","C14 H19 N O2","C(NC(Cc1ccc(cc1)C)=O)C2CCCO2;Cc1ccc(CC(=O)NC[CH]2CCCO2)cc1;Cc1ccc(cc1)CC(=O)NCC2CCCO2","InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1","","2020-10-30","2020-11-06","2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide","2020-11-11"],["DKF","hexane-1,1-diol","C6 H14 O2","CCCCCC(O)O;CCCCCC(O)O","InChI=1S/C6H14O2/c1-2-3-4-5-6(7)8/h6-8H,2-5H2,1H3","","2019-08-07","2020-07-17","hexane-1,1-diol","2020-07-22"],["WLZ","(4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","C18 H21 F O7","C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CC=Cc2cc(O)cc(O)c2C(=O)O1;CC1CCC(C(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)O)O)O)F","InChI=1S/C18H21FO7/c1-9-5-6-12(19)16(23)17(24)13(21)4-2-3-10-7-11(20)8-14(22)15(10)18(25)26-9/h2-3,7-9,12-13,17,20-22,24H,4-6H2,1H3/t9-,12-,13-,17?/m0/s1","","2023-10-09","2025-04-11","(4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","2025-04-16"],["DKG","4-methylpyridazine","C5 H6 N2","Cc1cnncc1;Cc1ccnnc1;Cc1ccnnc1","InChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3","","2015-03-17","2015-05-08","4-methylpyridazine","2015-05-13"],["DKH","3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide","C76 H105 N18 O27 S2","[C][C]([C])c1ccc(cc1[N][S]([C])(=O)=O)c2cc([N]C(=O)CNC(=O)C(CN)NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(CN)C(=O)NCCC(=O)Nc3cc(nn4c(C)nnc34)c5ccc(C)c(N[S](C)(=O)=O)c5)c6nnc([C])n6n2;Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C]","InChI=1S/C78H124N18O27S2/c1-56(2)62-11-10-61(49-66(62)94-125(7,105)106)65-51-68(76-90-88-59(5)96(76)92-65)84-73(99)54-82-78(102)70(53-80)86-74(100)55-123-47-46-122-45-44-121-43-42-120-41-40-119-39-38-118-37-36-117-35-34-116-33-32-115-31-30-114-29-28-113-27-26-112-25-24-111-23-22-110-21-20-109-19-18-108-17-16-107-15-13-72(98)85-69(52-79)77(101)81-14-12-71(97)83-67-50-64(91-95-58(4)87-89-75(67)95)60-9-8-57(3)63(48-60)93-124(6,103)104/h8-11,48-51,56,69-70,93-94H,12-47,52-55,79-80H2,1-7H3,(H,81,101)(H,82,102)(H,83,97)(H,84,99)(H,85,98)(H,86,100)","","2018-01-22","2018-01-26","3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[3-(methylsulfonyl-$l^{2}-azanyl)-4-propan-2-yl-cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide","2018-01-31"],["WM0","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol","C26 H34 N4 O7","OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC2;OC[CH]1[CH](O)[CH](O)[CH](O)CN1Cc2ccc(CNc3ccc(cc3[N+]([O-])=O)N4[CH]5CC[CH]4COC5)cc2;c1cc(ccc1CNc2ccc(cc2[N+](=O)[O-])N3C4CCC3COC4)CN5CC(C(C(C5CO)O)O)O","InChI=1S/C26H34N4O7/c31-13-23-25(33)26(34)24(32)12-28(23)11-17-3-1-16(2-4-17)10-27-21-8-7-18(9-22(21)30(35)36)29-19-5-6-20(29)15-37-14-19/h1-4,7-9,19-20,23-27,31-34H,5-6,10-15H2/t19-,20+,23-,24+,25-,26-/m1/s1","","2022-09-28","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol","2023-02-22"],["WM1","pyridine-2-carboxamide","C6 H6 N2 O","O=C(N)c1ncccc1;NC(=O)c1ccccn1;c1ccnc(c1)C(=O)N","InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)","Picolinamide; 2-Pyridinecarboxamide","2013-10-16","2020-05-26","pyridine-2-carboxamide","2015-08-12"],["DKI","5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE","C15 H13 F2 N7 O2 S2","S=C(n1nc(nc1N)Nc2ccc(cc2)S(=O)(=O)N)Nc3c(F)cccc3F;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=S)Nc3c(F)cccc3F;c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F","InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)","CDK 1/2 INHIBITOR","2006-03-15","2020-06-17","5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide",""],["WM2","cyclohexanecarboxamide","C7 H13 N O","O=C(N)C1CCCCC1;NC(=O)C1CCCCC1;C1CCC(CC1)C(=O)N","InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)","Hexahydrobenzamide","2013-10-16","2021-03-01","cyclohexanecarboxamide","2015-08-12"],["DKJ","N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide","C21 H32 F2 N2 O4","O=C(C)NC(Cc1cc(cc(c1)F)F)C(C2NC(C)C(OC2)OCC(C)(C)C)O;C[CH]1N[CH](CO[CH]1OCC(C)(C)C)[CH](O)[CH](Cc2cc(F)cc(F)c2)NC(C)=O;CC1C(OCC(N1)C(C(Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C","InChI=1S/C21H32F2N2O4/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26)/t12-,17-,18+,19-,20-/m0/s1","","2017-10-30","2017-11-10","N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide","2017-11-15"],["DKK","N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide","C19 H20 F3 N7 O2","FC(F)(c1ncccc1)CNc2ccc(C#N)c(c2F)CC(=O)NCCONC(=[N@H])N;NC(=N)NOCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccccn2)ccc1C#N;[H]N=C(N)NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N","InChI=1S/C19H20F3N7O2/c20-17-13(9-16(30)27-7-8-31-29-18(24)25)12(10-23)4-5-14(17)28-11-19(21,22)15-3-1-2-6-26-15/h1-6,28H,7-9,11H2,(H,27,30)(H4,24,25,29)","","2008-01-25","2011-06-04","N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide",""],["WM3","benzenesulfonohydrazide","C6 H8 N2 O2 S","O=S(=O)(NN)c1ccccc1;NN[S](=O)(=O)c1ccccc1;c1ccc(cc1)S(=O)(=O)NN","InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2","","2013-10-16","2015-08-07","benzenesulfonohydrazide","2015-08-12"],["WM4","benzohydrazide","C7 H8 N2 O","O=C(NN)c1ccccc1;NNC(=O)c1ccccc1;c1ccc(cc1)C(=O)NN","InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)","","2013-10-16","2015-08-07","benzohydrazide","2015-08-12"],["DKL","heptane-1,1-diol","C7 H16 O2","CCCCCCC(O)O;CCCCCCC(O)O","InChI=1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3","","2019-08-07","2020-07-17","heptane-1,1-diol","2020-07-22"],["DKM","5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid","C20 H21 F N4 O4 S","N5(c1c4c2N3C(=C(C(=O)c2cc1F)C(=O)O)SC=C3CN4C)CC(O)C(C5)N(C)C;CN(C)[CH]1CN(C[CH]1O)c2c(F)cc3C(=O)C(=C4SC=C5CN(C)c2c3[N]45)C(O)=O;CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5CC(C(C5)O)N(C)C)F)C(=O)O","InChI=1S/C20H21FN4O4S/c1-22(2)12-6-24(7-13(12)26)16-11(21)4-10-15-17(16)23(3)5-9-8-30-19(25(9)15)14(18(10)27)20(28)29/h4,8,12-13,26H,5-7H2,1-3H3,(H,28,29)/t12-,13-/m0/s1","","2017-10-30","2018-02-16","5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid","2018-02-21"],["WM5","2-(2-methoxyanilino)benzoic acid","C14 H13 N O3","COc1ccccc1Nc1ccccc1C(=O)O;COc1ccccc1Nc2ccccc2C(O)=O;COc1ccccc1Nc2ccccc2C(=O)O","InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)","","2023-05-15","2023-06-09","2-(2-methoxyanilino)benzoic acid","2023-06-14"],["DKN","Disorazole Z","C40 H46 N2 O12","COC(=O)[C](C)([CH](O)C=CC)[CH]1CC=CC=CC=Cc2occ(n2)C(=O)O[CH](CC=CC=CC=Cc3occ(n3)C(=O)O1)[C](C)([CH](O)C=CC)C(=O)OC;CC=CC(C(C)(C1CC=CC=CC=Cc2nc(co2)C(=O)OC(CC=CC=CC=Cc3nc(co3)C(=O)O1)C(C)(C(C=CC)O)C(=O)OC)C(=O)OC)O","InChI=1S/C40H46N2O12/c1-7-19-29(43)39(3,37(47)49-5)31-21-15-11-9-13-17-24-34-42-28(26-52-34)36(46)54-32(40(4,38(48)50-6)30(44)20-8-2)22-16-12-10-14-18-23-33-41-27(25-51-33)35(45)53-31/h7-20,23-26,29-32,43-44H,21-22H2,1-6H3/b13-9+,14-10+,15-11-,16-12-,19-7+,20-8+,23-18+,24-17+/t29-,30-,31-,32-,39-,40-/m0/s1","","2018-01-23","2018-05-25","methyl (~{E},2~{S},3~{S})-2-[(4~{S},6~{Z},8~{E},10~{E},18~{S},20~{Z},22~{E},24~{E})-18-[(~{E},2~{S},3~{S})-1-methoxy-2-methyl-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-2-methyl-3-oxidanyl-hex-4-enoate","2018-05-30"],["WM6","(4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione","C16 H20 O9","O[CH]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH](O)[CH]1O;c1c(cc2c(c1O)C(=O)OCCCCC(=O)C(C(C(CO2)O)O)O)O","InChI=1S/C16H20O9/c17-8-5-10(19)13-12(6-8)25-7-11(20)15(22)14(21)9(18)3-1-2-4-24-16(13)23/h5-6,11,14-15,17,19-22H,1-4,7H2/t11-,14+,15+/m1/s1","","2023-10-09","2025-04-11","(4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione","2025-04-16"],["WM7","(3S)-N-benzylpyrrolidin-3-amine","C11 H16 N2","c2cccc(CNC1CCNC1)c2;C1C[CH](CN1)NCc2ccccc2;c1ccc(cc1)CNC2CCNC2","InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m0/s1","","2020-10-30","2020-11-06","(3S)-N-benzylpyrrolidin-3-amine","2020-11-11"],["DKO","octane-1,1-diol","C8 H18 O2","CCCCCCCC(O)O;CCCCCCCC(O)O","InChI=1S/C8H18O2/c1-2-3-4-5-6-7-8(9)10/h8-10H,2-7H2,1H3","","2019-08-07","2020-07-17","octane-1,1-diol","2020-07-22"],["DKP","2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C18 H17 Cl N2 O3","c3cccc(C(c1nc2c(c1)nccc2C(=O)O)OCCC)c3Cl;CCCO[CH](c1[nH]c2c(c1)nccc2C(O)=O)c3ccccc3Cl;CCCOC(c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O","InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)/t17-/m1/s1","","2017-10-30","2018-03-23","2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["WM8","2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide","C13 H18 Cl N O2","CC(C)NC(=O)COc1cc(C)c(Cl)c(C)c1;Cc1cc(cc(c1Cl)C)OCC(=O)NC(C)C","InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16)","","2023-10-10","2024-09-06","2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide","2024-09-11"],["DKQ","4-chloranylbenzenecarboximidamide","C7 H7 Cl N2","NC(=N)c1ccc(Cl)cc1;c1cc(ccc1C(=N)N)Cl","InChI=1S/C7H7ClN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)","","2018-01-23","2019-02-01","4-chloranylbenzenecarboximidamide","2019-02-06"],["WM9","(2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine","C17 H17 Cl N2 O","Clc1cccc(c1)c2cc(ccc2)C3(N=C(N)CCO3)C;C[C]1(OCCC(=N1)N)c2cccc(c2)c3cccc(Cl)c3;CC1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl","InChI=1S/C17H17ClN2O/c1-17(20-16(19)8-9-21-17)14-6-2-4-12(10-14)13-5-3-7-15(18)11-13/h2-7,10-11H,8-9H2,1H3,(H2,19,20)/t17-/m0/s1","","2012-08-16","2014-09-05","(2S)-2-(3'-chlorobiphenyl-3-yl)-2-methyl-5,6-dihydro-2H-1,3-oxazin-4-amine","2013-06-26"],["WMA","(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione","C15 H17 N3 O2","n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2;CC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O;CCC1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3","InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1","","2020-06-05","2021-06-04","(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione","2021-06-09"],["DKR","N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide","C13 H14 N2 O","Cc1ccc(CNC(=O)c2[nH]ccc2)cc1;Cc1ccc(cc1)CNC(=O)c2ccc[nH]2","InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)","","2019-08-08","2020-07-24","~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide","2020-07-29"],["WMB","5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid","C20 H21 N3 O5 S","O=C(O)C=1CCOCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1;OC(=O)C1=C(COCC1)C(=O)Nc2sc3CCCCc3c2c4onc(n4)C5CC5;C1CCc2c(c(c(s2)NC(=O)C3=C(CCOC3)C(=O)O)c4nc(no4)C5CC5)C1","InChI=1S/C20H21N3O5S/c24-17(13-9-27-8-7-11(13)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)","","2023-05-15","2023-06-09","5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid","2023-06-14"],["DKS","2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C22 H22 Cl F2 N3 O3","c4ccc(Cl)c(C(c2cc1c(c(C(=O)O)ccn1)n2)OCCN3CCC(F)(CC3)F)c4;OC(=O)c1ccnc2cc([nH]c12)[CH](OCCN3CCC(F)(F)CC3)c4ccccc4Cl;c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl","InChI=1S/C22H22ClF2N3O3/c23-16-4-2-1-3-14(16)20(31-12-11-28-9-6-22(24,25)7-10-28)18-13-17-19(27-18)15(21(29)30)5-8-26-17/h1-5,8,13,20,27H,6-7,9-12H2,(H,29,30)/t20-/m0/s1","","2017-10-30","2018-03-23","2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["WMC","(5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione","C16 H20 O8","O[CH]1CCOc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH]1O;c1c(cc2c(c1O)C(=O)OCCCCC(=O)C(C(CCO2)O)O)O","InChI=1S/C16H20O8/c17-9-7-12(20)14-13(8-9)23-6-4-11(19)15(21)10(18)3-1-2-5-24-16(14)22/h7-8,11,15,17,19-21H,1-6H2","","2023-10-09","2025-04-11","(5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione","2025-04-16"],["DKT","4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-5-GUANIDINO-PENTANOYLAMINO]-4-(1-CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-BUTYRIC ACID","C38 H57 N7 O10","O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(=O)C(NC(=O)OCc1ccccc1)CC2CCCCC2)CCCNC(=[N@H])N)CCC(=O)O)CC3CCCCC3;NC(=N)NCCC[CH](NC(=O)C(=O)[CH](CC1CCCCC1)NC(=O)OCc2ccccc2)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CC3CCCCC3)C(O)=O;c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)O","InChI=1S/C38H57N7O10/c39-37(40)41-20-10-17-27(33(49)42-28(18-19-31(46)47)34(50)44-30(36(52)53)22-25-13-6-2-7-14-25)43-35(51)32(48)29(21-24-11-4-1-5-12-24)45-38(54)55-23-26-15-8-3-9-16-26/h3,8-9,15-16,24-25,27-30H,1-2,4-7,10-14,17-23H2,(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,47)(H,52,53)(H4,39,40,41)/t27-,28-,29+,30-/m0/s1","","2002-11-15","2011-06-04","N~2~-[(3R)-3-{[(benzyloxy)carbonyl]amino}-4-cyclohexyl-2-oxobutanoyl]-L-arginyl-L-alpha-glutamyl-3-cyclohexyl-L-alanine",""],["DKU","3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one","C25 H20 N2 O2","Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5;Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O","InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3","","2019-08-09","2020-03-27","3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one","2020-04-01"],["WMD","1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine","C12 H17 F N2","c2c(C(C)N1CCNCC1)c(ccc2)F;C[CH](N1CCNCC1)c2ccccc2F;CC(c1ccccc1F)N2CCNCC2","InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1","","2020-10-30","2020-11-06","1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine","2020-11-11"],["WME","(7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid","C53 H51 Cl2 F N6 O9 S","CN1CCN(CC1)CC1Oc2c(Cl)c(C)c(c3c4c(ncnc4sc3c3ccc(F)cc3)OC(Cc3cc(OC1)ccc3OCc1ccnc(n1)c1ccc(OCC3COCCO3)cc1)C(=O)O)c(C)c2Cl;CN1CCN(CC1)C[CH]2COc3ccc(OCc4ccnc(n4)c5ccc(OC[CH]6COCCO6)cc5)c(C[CH](Oc7ncnc8sc(c9ccc(F)cc9)c(c%10c(C)c(Cl)c(O2)c(Cl)c%10C)c78)C(O)=O)c3;Cc1c-2c(c(c(c1Cl)OC(COc3ccc(c(c3)CC(Oc4c5c2c(sc5ncn4)c6ccc(cc6)F)C(=O)O)OCc7ccnc(n7)c8ccc(cc8)OCC9COCCO9)CN1CCN(CC1)C)Cl)C","InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1","","2022-09-29","2023-10-20","(7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid","2023-10-25"],["DKV","2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C22 H21 Cl F2 N2 O3","c2(nc1c(C(=O)O)ccnc1c2)C(c3ccccc3Cl)OCC4CCC(F)(CC4)F;OC(=O)c1ccnc2cc([nH]c12)[CH](OCC3CCC(F)(F)CC3)c4ccccc4Cl;c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl","InChI=1S/C22H21ClF2N2O3/c23-16-4-2-1-3-14(16)20(30-12-13-5-8-22(24,25)9-6-13)18-11-17-19(27-18)15(21(28)29)7-10-26-17/h1-4,7,10-11,13,20,27H,5-6,8-9,12H2,(H,28,29)/t20-/m0/s1","","2017-10-30","2018-03-23","2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["DKW","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide","C13 H14 N6 O4","Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C;C#CCNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1","6-CARBOXYMETHYLURACIL","2018-01-23","2021-03-01","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide","2019-02-06"],["WMF","4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one","C18 H15 N O3","OC=1C=CN(Cc2ccccc2Oc2ccccc2)C(=O)C=1;OC1=CC(=O)N(Cc2ccccc2Oc3ccccc3)C=C1;c1ccc(cc1)Oc2ccccc2CN3C=CC(=CC3=O)O","InChI=1S/C18H15NO3/c20-15-10-11-19(18(21)12-15)13-14-6-4-5-9-17(14)22-16-7-2-1-3-8-16/h1-12,20H,13H2","","2023-05-15","2023-06-09","4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one","2023-06-14"],["DKX","1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H13 F N2 O6","OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O","InChI=1S/C10H13FN2O6/c11-6-7(16)4(3-14)19-9(8(6)17)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7-,8-,9-/m1/s1","1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;\n1-(3-deoxy-3-fluoro-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 1-(3-deoxy-3-fluoro-glucosyl)pyrimidine-2,4(1H,3H)-dione","2010-01-11","2020-07-17","1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione",""],["WMG","1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine","C12 H17 F N2","c2c(C(C)N1CCNCC1)c(ccc2)F;C[CH](N1CCNCC1)c2ccccc2F;CC(c1ccccc1F)N2CCNCC2","InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1","","2020-10-30","2020-11-06","1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine","2020-11-11"],["WMH","1-methyl-1H-1,2,3-triazole","C3 H5 N3","n1(nncc1)C;Cn1ccnn1;Cn1ccnn1","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","","2019-08-23","2024-09-27","1-methyl-1H-1,2,3-triazole","2020-04-15"],["DKY","1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one","C17 H18 F N3 O6","OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3;c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)C3C(C(C(C(O3)CO)O)F)O","InChI=1S/C17H18FN3O6/c18-12-13(23)10(8-22)27-16(14(12)24)21-7-6-11(20-17(21)26)19-15(25)9-4-2-1-3-5-9/h1-7,10,12-14,16,22-24H,8H2,(H,19,20,25,26)/t10-,12+,13-,14-,16-/m1/s1","","2010-01-12","2011-06-04","N-[1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide",""],["WMI","(4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione","C18 H24 O7","C[CH]1CCCC(=O)[CH](O)[CH](O)CCCc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(=O)C(C(CCCc2cc(cc(c2C(=O)O1)O)O)O)O","InChI=1S/C18H24O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,14,17,19,21-23H,2-7H2,1H3/t10-,14-,17?/m0/s1","","2023-10-09","2025-04-11","(4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione","2025-04-16"],["DKZ","4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one","C10 H14 F N3 O5","NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](F)[CH]2O;C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)CO)O)F)O","InChI=1S/C10H14FN3O5/c11-6-7(16)4(3-15)19-9(8(6)17)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)/t4-,6+,7-,8-,9-/m1/s1","4-amino-1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidin-2(1H)-one;\n4-amino-1-(3-deoxy-3-fluoro-D-glucosyl)pyrimidin-2(1H)-one; 4-amino-1-(3-deoxy-3-fluoro-glucosyl)pyrimidin-2(1H)-one","2010-01-12","2020-07-17","4-azanyl-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one",""],["WMJ","1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea","C17 H19 N5 O7","[O-][N+](=O)c1ccc(cc1)NC(=O)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O;CC1=CN([CH]2C[CH](O)[CH](CNC(=O)Nc3ccc(cc3)[N+]([O-])=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O","InChI=1S/C17H19N5O7/c1-9-8-21(17(26)20-15(9)24)14-6-12(23)13(29-14)7-18-16(25)19-10-2-4-11(5-3-10)22(27)28/h2-5,8,12-14,23H,6-7H2,1H3,(H2,18,19,25)(H,20,24,26)/t12-,13+,14-/m0/s1","","2012-10-24","2014-09-05","2',5'-dideoxy-5'-{[(4-nitrophenyl)carbamoyl]amino}-3,4-dihydrothymidine","2013-07-24"],["DL0","6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one","C25 H19 Cl N2 O2","Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5;Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl","InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3","","2019-08-09","2020-03-27","6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one","2020-04-01"],["WMK","(1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name)","C11 H15 N3 O7","NC=1NC23C(O)C4OC5(O)OC(C2C(OC35)N=1)C4(O)CO;NC1=N[CH]2O[CH]3[C]4(O)O[CH]5[CH](O)[C]3(N1)[CH]2[CH](O4)[C]5(O)CO;C(C1(C2C3C4N=C(NC35C(C1OC(C5O4)(O2)O)O)N)O)O","InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2-,3+,4-,5+,6+,7+,9+,10-,11+/m1/s1","4,9-anhydro-tetrodotoxin","2022-09-29","2023-03-03","(1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-ene-2,4,12-triol (non-preferred name)","2023-03-08"],["DL1","N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide","C20 H21 N5 O3","C1COCCN1c2ccc(c(c2)OC)NC(=O)c3cccc(n3)c4nncc4;COc1cc(ccc1NC(=O)c2cccc(n2)c3[nH]ncc3)N4CCOCC4;COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4","InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)","","2017-10-30","2017-12-01","N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide","2017-12-06"],["WML","(3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid","C16 H20 Br N O3","O=C(O)C1c2cc(Br)ccc2NC(=O)C1CCCCCC;CCCCCC[CH]1[CH](C(O)=O)c2cc(Br)ccc2NC1=O;CCCCCCC1C(c2cc(ccc2NC1=O)Br)C(=O)O","InChI=1S/C16H20BrNO3/c1-2-3-4-5-6-11-14(16(20)21)12-9-10(17)7-8-13(12)18-15(11)19/h7-9,11,14H,2-6H2,1H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1","","2023-05-15","2023-06-09","(3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid","2023-06-14"],["DL2","5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one","C18 H17 Cl N2 O4","ClC1=CCC(=NC1=O)CC(=O)N2CCC3(CC2)Oc4ccccc4O3;c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl","InChI=1S/C18H17ClN2O4/c19-13-6-5-12(20-17(13)23)11-16(22)21-9-7-18(8-10-21)24-14-3-1-2-4-15(14)25-18/h1-4,6H,5,7-11H2","","2018-01-24","2018-03-29","5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one","2018-04-04"],["DL3","~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide","C30 H39 Cl N6 O4 S2","CNc1nccc(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)n1;CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5","InChI=1S/C30H39ClN6O4S2/c1-32-30-34-19-16-26(35-30)22-36(20-24-14-17-33-18-15-24)42(38,39)28-10-12-29(13-11-28)43(40,41)37(27-4-2-3-5-27)21-23-6-8-25(31)9-7-23/h6-13,16,19,24,27,33H,2-5,14-15,17-18,20-22H2,1H3,(H,32,34,35)","","2016-12-06","2017-01-26","~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide","2017-02-01"],["WMM","N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine","C12 H11 N5 S2","n1c(csc1Nc2ccccc2)CSc3nncn3;C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2;c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3","InChI=1S/C12H11N5S2/c1-2-4-9(5-3-1)15-12-16-10(7-19-12)6-18-11-13-8-14-17-11/h1-5,7-8H,6H2,(H,15,16)(H,13,14,17)","","2013-01-22","2017-01-13","N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine","2017-01-18"],["WMN","(4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione","C19 H24 O7","C[CH]1CCCC(=O)[CH](O)[CH](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(=O)C(C(CCC=Cc2cc(cc(c2C(=O)O1)O)O)O)O","InChI=1S/C19H24O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h2,6,9-11,14,18,20-21,23-24H,3-5,7-8H2,1H3/t11-,14?,18?/m0/s1","","2023-10-09","2025-04-11","(4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione","2025-04-16"],["DL4","(14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid","C27 H42 O3","O=C(O)C(C)CCCC(C)C2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)C;C[CH](CCC[CH](C)C(O)=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1","","2009-04-06","2011-06-04","(14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid",""],["DL5","Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate","C17 H18 N8 O18 P3","O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC1OC(C2OC3(OC12)C(=CC(C=C3[N+]([O-])=O)=[N+](/[O-])[O-])[N+]([O-])=O)n1cnc2c(N)ncnc21;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+]([O-])[O-])[N+]([O-])=O;c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+]([O-])[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N","InChI=1S/C17H18N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H6-,18,19,20,26,27,32,33,34,35,36,37,38)/q-1/t8-,12-,13-,16-/m1/s1","TNP-AMPPCP","2015-06-03","2026-04-05","2',3'-O-{(1S)-2,6-dinitro-4-[oxido(oxo)-lambda~5~-azanylidene]cyclohexa-2,5-diene-1,1-diyl}-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine","2016-04-13"],["WMO","N-(2-methoxyethyl)-4-sulfamoylbenzamide","C10 H14 N2 O4 S","O=S(N)(=O)c1ccc(cc1)C(=O)NCCOC;COCCNC(=O)c1ccc(cc1)[S](N)(=O)=O;COCCNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C10H14N2O4S/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)","","2022-09-29","2023-02-10","N-(2-methoxyethyl)-4-sulfamoylbenzamide","2023-02-15"],["DL6","N-(azidoacetyl)-beta-D-glucopyranosylamine","C8 H14 N4 O6","O=C(NC1OC(C(O)C(O)C1O)CO)C/N=[N+]=[N-];OC[CH]1O[CH](NC(=O)CN=[N+]=[N-])[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)NC(=O)CN=[N+]=[N-])O)O)O)O","InChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-8-7(17)6(16)5(15)3(2-13)18-8/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3-,5-,6+,7-,8-/m1/s1","2-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)ACETAMIDE;\nN-AZIDOACETYL-BETA-D-GLUCOPYRANOSYLAMINE; N-(azidoacetyl)-beta-D-glucosylamine; N-(azidoacetyl)-D-glucosylamine;\nN-(azidoacetyl)-glucosylamine","2006-01-10","2020-07-17","N-(azidoacetyl)-beta-D-glucopyranosylamine",""],["WMP","[(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate","C24 H24 B N5 O9 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6ccc(cc56)[CH](O)c7ccccc7)O[CH]34;[B-]12(c3cc(ccc3CO1)C(c4ccccc4)O)OC5C(OC(C5O2)n6cnc7c6ncnc7N)COP(=O)(O)O","InChI=1S/C24H24BN5O9P/c26-22-18-23(28-11-27-22)30(12-29-18)24-21-20(17(37-24)10-36-40(32,33)34)38-25(39-21)16-8-14(6-7-15(16)9-35-25)19(31)13-4-2-1-3-5-13/h1-8,11-12,17,19-21,24,31H,9-10H2,(H2,26,27,28)(H2,32,33,34)/q-1/t17-,19+,20-,21+,24+,25-/m0/s1","","2013-05-10","2013-08-30","[(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate","2013-09-04"],["WMQ","2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid","C13 H10 N2 O3 S","O=C(O)c1csc(COc2cccc3cc[NH]c23)n1;OC(=O)c1csc(COc2cccc3cc[nH]c23)n1;c1cc2cc[nH]c2c(c1)OCc3nc(cs3)C(=O)O","InChI=1S/C13H10N2O3S/c16-13(17)9-7-19-11(15-9)6-18-10-3-1-2-8-4-5-14-12(8)10/h1-5,7,14H,6H2,(H,16,17)","","2023-05-15","2023-06-09","2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid","2023-06-14"],["DL7","(5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid","C27 H42 O3","O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C;C[CH](CCC[CH](C)C(O)=O)[CH]1CC[CH]2C3=CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C","InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18-,19+,22-,23+,24+,26+,27-/m1/s1","","2009-04-06","2011-06-04","(5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid",""],["WMR","5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine","C15 H22 N4 S","CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13;CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C","InChI=1S/C15H22N4S/c1-4-5-6-11-10-8-20-15(2,3)7-9(10)12-13(16)18-19-14(12)17-11/h4-8H2,1-3H3,(H3,16,17,18,19)","","2015-03-08","2015-05-08","","2015-05-13"],["DL8","N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE","C16 H20 N4 O6","O=C(NC1OC(C(O)C(O)C1O)CO)Cn3nnc(c2ccccc2)c3;OC[CH]1O[CH](NC(=O)Cn2cc(nn2)c3ccccc3)[CH](O)[CH](O)[CH]1O;c1ccc(cc1)c2cn(nn2)CC(=O)NC3C(C(C(C(O3)CO)O)O)O","InChI=1S/C16H20N4O6/c21-8-11-13(23)14(24)15(25)16(26-11)17-12(22)7-20-6-10(18-19-20)9-4-2-1-3-5-9/h1-6,11,13-16,21,23-25H,7-8H2,(H,17,22)/t11-,13-,14+,15-,16-/m1/s1","","2007-05-29","2011-06-04","N-[(4-phenyl-1H-1,2,3-triazol-1-yl)acetyl]-beta-D-glucopyranosylamine",""],["WMS","5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine","C10 H10 F N3 S","Cc1ncc(s1)CNc2cc(cnc2)F;Cc1sc(CNc2cncc(F)c2)cn1;Cc1ncc(s1)CNc2cc(cnc2)F","InChI=1S/C10H10FN3S/c1-7-13-5-10(15-7)6-14-9-2-8(11)3-12-4-9/h2-5,14H,6H2,1H3","","2020-10-30","2020-11-06","5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine","2020-11-11"],["DL9","(E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol","C31 H35 N O2","OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5;c1ccc(cc1)C(=C(c2ccc(cc2)C3CCN(CC3)C4CC4)c5ccc(cc5)O)CCCO","InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+","","2019-08-13","2020-08-07","4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol","2020-08-12"],["WMT","(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione","C17 H21 F O8","C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1;CC1CCC(C(=O)C(C(CCOc2cc(cc(c2C(=O)O1)O)O)O)O)F","InChI=1S/C17H21FO8/c1-8-2-3-10(18)15(22)16(23)11(20)4-5-25-13-7-9(19)6-12(21)14(13)17(24)26-8/h6-8,10-11,16,19-21,23H,2-5H2,1H3/t8-,10-,11-,16?/m0/s1","","2023-10-09","2025-04-11","(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione","2025-04-16"],["DLA","D-LACTIC ACID","C3 H6 O3","O=C(O)C(O)C;C[CH](O)C(O)=O;CC(C(=O)O)O","InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1/f/h5H","","1999-07-08","2008-10-14","(2R)-2-hydroxypropanoic acid",""],["WMU","3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide","C11 H10 N2 O4 S2","O=S(=O)(Nc1ccncc1)c1cccc(c1)S(=O)=O;O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccncc2;c1cc(cc(c1)S(=O)(=O)Nc2ccncc2)S(=O)=O","InChI=1S/C11H10N2O4S2/c14-18(15)10-2-1-3-11(8-10)19(16,17)13-9-4-6-12-7-5-9/h1-8,18H,(H,12,13)","","2022-09-29","2025-04-04","3-(dioxo-lambda~6~-sulfanyl)-N-(pyridin-4-yl)benzene-1-sulfonamide","2025-04-09"],["DLB","3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid","C25 H28 Cl N O5","CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccc(CCC(O)=O)cc3O2)c4ccc(Cl)cc4;CC(C)C(c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O","InChI=1S/C25H28ClNO5/c1-16(2)23(18-5-7-19(26)8-6-18)24(30)27-13-11-25(12-14-27)31-20-9-3-17(4-10-22(28)29)15-21(20)32-25/h3,5-9,15-16,23H,4,10-14H2,1-2H3,(H,28,29)/t23-/m0/s1","","2018-01-24","2018-03-29","3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid","2018-04-04"],["DLC","(3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one","C35 H49 N O4","C[CH](C[CH]1C[C](C)(O)C(=O)N1CCc2ccccc2)[CH]3CC[CH]4C(CCC[C]34C)=CC=C5C[CH](O)C[CH](O)C5=C;CC(CC1CC(C(=O)N1CCc2ccccc2)(C)O)C3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C","InChI=1S/C35H49NO4/c1-23(19-28-22-35(4,40)33(39)36(28)18-16-25-9-6-5-7-10-25)30-14-15-31-26(11-8-17-34(30,31)3)12-13-27-20-29(37)21-32(38)24(27)2/h5-7,9-10,12-13,23,28-32,37-38,40H,2,8,11,14-22H2,1,3-4H3/b26-12-,27-13+/t23-,28+,29-,30-,31+,32+,34-,35-/m1/s1","","2015-02-12","2023-05-10","(3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one","2016-12-07"],["WMV","N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide","C14 H22 N2 O2","C2(CCNC(c1c(C)noc1C)=O)CCCCC2;Cc1onc(C)c1C(=O)NCCC2CCCCC2;Cc1c(c(on1)C)C(=O)NCCC2CCCCC2","InChI=1S/C14H22N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,15,17)","","2020-10-30","2020-11-06","N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide","2020-11-11"],["DLD","2-azidoethyl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]-2-deoxy-beta-D-glucopyranoside","C18 H31 N5 O11","O=C(NC2C(O)C(O)C(OC2OC1C(OC(OCCN=[N+]=[N-])C(NC(=O)C)C1O)CO)CO)C;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](OCCN=[N+]=[N-])O[CH]2CO;CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O","InChI=1S/C18H31N5O11/c1-7(26)21-11-14(29)13(28)9(5-24)32-18(11)34-16-10(6-25)33-17(31-4-3-20-23-19)12(15(16)30)22-8(2)27/h9-18,24-25,28-30H,3-6H2,1-2H3,(H,21,26)(H,22,27)/t9-,10-,11-,12-,13+,14-,15-,16-,17-,18+/m1/s1","","2010-06-17","2020-07-17","2-azidoethyl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]-2-deoxy-beta-D-glucopyranoside",""],["WMW","(2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid","C17 H14 Cl3 F O3","Clc1ccc(cc1Cl)C(C)(CCOc1ccc(Cl)c(F)c1)C(=O)O;C[C](CCOc1ccc(Cl)c(F)c1)(C(O)=O)c2ccc(Cl)c(Cl)c2;CC(CCOc1ccc(c(c1)F)Cl)(c2ccc(c(c2)Cl)Cl)C(=O)O","InChI=1S/C17H14Cl3FO3/c1-17(16(22)23,10-2-4-12(18)14(20)8-10)6-7-24-11-3-5-13(19)15(21)9-11/h2-5,8-9H,6-7H2,1H3,(H,22,23)/t17-/m0/s1","","2023-05-15","2023-06-09","(2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid","2023-06-14"],["DLE","D-LEUCINE","C6 H13 N O2","O=C(O)C(N)CC(C)C;CC(C)C[CH](N)C(O)=O;CC(C)CC(C(=O)O)N","InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1","","1999-07-08","2024-09-27","D-leucine",""],["WMX","(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione","C22 H32 O8","CCOCOc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CCCCc2c1;CCOCOc1cc2c(c(c1)O)C(=O)OC(CCCC(=O)C(C(CCCC2)O)O)C","InChI=1S/C22H32O8/c1-3-28-13-29-16-11-15-8-4-5-9-17(23)21(26)18(24)10-6-7-14(2)30-22(27)20(15)19(25)12-16/h11-12,14,17,21,23,25-26H,3-10,13H2,1-2H3/t14-,17?,21?/m0/s1","","2023-10-09","2025-04-11","(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione","2025-04-16"],["DLF","2-deoxy-alpha-L-fucopyranose","C6 H12 O4","OC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1O;CC1C(C(CC(O1)O)O)O","InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5+,6+/m0/s1","2-DEOXY-ALPHA-L-FUCOPYRANOSIDE; 2,6-dideoxy-alpha-L-lyxo-hexopyranose; 2,6-dideoxy-alpha-L-galactopyranose;\n2,6-dideoxy-alpha-L-talopyranose; 2-deoxy-alpha-L-fucose; 2-deoxy-L-fucose; 2-deoxy-fucose","1999-07-08","2020-07-17","2,6-dideoxy-alpha-L-lyxo-hexopyranose",""],["WMY","3-chloro-N-(1,2-oxazol-3-yl)benzamide","C10 H7 Cl N2 O2","c1onc(c1)NC(c2cccc(c2)Cl)=O;Clc1cccc(c1)C(=O)Nc2ccon2;c1cc(cc(c1)Cl)C(=O)Nc2ccon2","InChI=1S/C10H7ClN2O2/c11-8-3-1-2-7(6-8)10(14)12-9-4-5-15-13-9/h1-6H,(H,12,13,14)","","2020-10-30","2020-11-06","3-chloro-N-(1,2-oxazol-3-yl)benzamide","2020-11-11"],["DLG","hexyl 3-deoxy-beta-D-galactopyranoside","C12 H24 O5","O(CCCCCC)C1OC(C(O)CC1O)CO;CCCCCCO[CH]1O[CH](CO)[CH](O)C[CH]1O;CCCCCCOC1C(CC(C(O1)CO)O)O","InChI=1S/C12H24O5/c1-2-3-4-5-6-16-12-10(15)7-9(14)11(8-13)17-12/h9-15H,2-8H2,1H3/t9-,10-,11-,12-/m1/s1","HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE; 2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL; hexyl\n3-deoxy-beta-D-galactoside; hexyl 3-deoxy-D-galactoside; hexyl 3-deoxy-galactoside","2003-10-29","2020-07-17","hexyl 3-deoxy-beta-D-xylo-hexopyranoside",""],["WN0","5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole","C17 H21 N5","C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12;C1CCCc2c(CC1)n(CCc3[nH]nnn3)c4ccccc24;c1ccc2c(c1)c3c(n2CCc4[nH]nnn4)CCCCCC3","InChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21)","","2023-05-15","2023-06-09","5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole","2023-06-14"],["WN1","N-(2-fluorophenyl)-3-methoxybenzamide","C14 H12 F N O2","c1cccc(c1NC(c2cccc(c2)OC)=O)F;COc1cccc(c1)C(=O)Nc2ccccc2F;COc1cccc(c1)C(=O)Nc2ccccc2F","InChI=1S/C14H12FNO2/c1-18-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)","","2020-10-30","2020-11-06","N-(2-fluorophenyl)-3-methoxybenzamide","2020-11-11"],["DLH","2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone","C19 H18 Cl N O3","Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1;c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl","InChI=1S/C19H18ClNO3/c20-15-7-5-14(6-8-15)13-18(22)21-11-9-19(10-12-21)23-16-3-1-2-4-17(16)24-19/h1-8H,9-13H2","","2018-01-24","2018-03-29","2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone","2018-04-04"],["DLI","(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE","C21 H19 F3 N4 O2 S","O=S(=O)(c1cccc(c1)c2ncnc(c2)N4CC(c3cc(F)c(F)cc3F)C(N)C4)C;C[S](=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[CH](N)[CH](C3)c4cc(F)c(F)cc4F;CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC(C(C3)N)c4cc(c(cc4F)F)F","InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1","","2006-12-19","2011-06-04","(3R,4S)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine",""],["WN2","(4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione","C19 H26 O7","C[CH]1CCCC(=O)[CH](O)[CH](O)CCCCc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(=O)C(C(CCCCc2cc(cc(c2C(=O)O1)O)O)O)O","InChI=1S/C19H26O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h9-11,14,18,20-21,23-24H,2-8H2,1H3/t11-,14?,18?/m0/s1","","2023-10-09","2025-04-11","(4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione","2025-04-16"],["DLJ","2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C22 H24 Cl N3 O3","C(OC(c1c(cccc1)Cl)c2cc3c(n2)c(C(=O)O)ccn3)CC4CCCN4C;CN1CCC[CH]1CCO[CH](c2[nH]c3c(c2)nccc3C(O)=O)c4ccccc4Cl;CN1CCCC1CCOC(c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O","InChI=1S/C22H24ClN3O3/c1-26-11-4-5-14(26)9-12-29-21(15-6-2-3-7-17(15)23)19-13-18-20(25-19)16(22(27)28)8-10-24-18/h2-3,6-8,10,13-14,21,25H,4-5,9,11-12H2,1H3,(H,27,28)/t14-,21+/m1/s1","","2017-10-31","2018-03-23","2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["WN3","3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide","C10 H9 N3 O4 S2","O=S(=O)(Nc1cccnn1)c1cccc(c1)S(=O)=O;O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2cccnn2;c1cc(cc(c1)S(=O)(=O)Nc2cccnn2)S(=O)=O","InChI=1S/C10H9N3O4S2/c14-18(15)8-3-1-4-9(7-8)19(16,17)13-10-5-2-6-11-12-10/h1-7,18H,(H,12,13)","","2022-09-29","2025-04-04","3-(dioxo-lambda~6~-sulfanyl)-N-(pyridazin-3-yl)benzene-1-sulfonamide","2025-04-09"],["DLK","2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione","C21 H21 N O3","COc1ccccc1N[C](C)=[C]2C(=O)C[CH](CC2=O)c3ccccc3;CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC","InChI=1S/C21H21NO3/c1-14(22-17-10-6-7-11-20(17)25-2)21-18(23)12-16(13-19(21)24)15-8-4-3-5-9-15/h3-11,16,22H,12-13H2,1-2H3/b21-14-/t16-/m0/s1","","2018-01-24","2018-03-16","2-[1-[(2-methoxyphenyl)amino]ethylidene]-5-phenyl-cyclohexane-1,3-dione","2018-03-21"],["WN4","N-(6-methylpyridin-2-yl)-L-prolinamide","C11 H15 N3 O","C1(CCCN1)C(=O)Nc2cccc(C)n2;Cc1cccc(NC(=O)[CH]2CCCN2)n1;Cc1cccc(n1)NC(=O)C2CCCN2","InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m0/s1","","2020-10-30","2020-11-06","N-(6-methylpyridin-2-yl)-L-prolinamide","2020-11-11"],["DLL","5'-O-[HYDROXY(PHENYLACETYL)PHOSPHORYL]ADENOSINE","C18 H20 N5 O8 P","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)Cc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)CC(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C18H20N5O8P/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)6-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,25-26H,6-7H2,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1","","2010-12-15","2011-06-04","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 2-phenylethanoate",""],["WN5","(3M)-2-{[(3S)-oxolan-3-yl]oxy}-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","C21 H23 N5 O2","n1c2CCCCCc2c(c2ccccc2)c(c1OC1CCOC1)c1nnn[NH]1;C1CCc2nc(O[CH]3CCOC3)c(c4[nH]nnn4)c(c2CC1)c5ccccc5;c1ccc(cc1)c2c3c(nc(c2c4[nH]nnn4)OC5CCOC5)CCCCC3","InChI=1S/C21H23N5O2/c1-3-7-14(8-4-1)18-16-9-5-2-6-10-17(16)22-21(28-15-11-12-27-13-15)19(18)20-23-25-26-24-20/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,23,24,25,26)/t15-/m0/s1","","2023-05-15","2023-06-09","(3M)-2-{[(3S)-oxolan-3-yl]oxy}-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","2023-06-14"],["WN6","(2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid","C13 H20 N O4 P","O=C(O)C(CCc1ccccc1)CP(=O)(O)C(N)C;C[CH](N)[P](O)(=O)C[CH](CCc1ccccc1)C(O)=O;CC(N)P(=O)(CC(CCc1ccccc1)C(=O)O)O","InChI=1S/C13H20NO4P/c1-10(14)19(17,18)9-12(13(15)16)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,16)(H,17,18)/t10-,12-/m1/s1","","2014-12-17","2016-01-15","(2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid","2016-01-20"],["DLM","3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium","C15 H11 O7","Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O;Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3;c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O","InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1","Delphinidin","2014-10-15","2021-03-01","3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium","2015-01-21"],["WN7","5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine","C12 H13 N3","c2c(CNc1cc(C)cnc1)ccnc2;Cc1cncc(NCc2ccncc2)c1;Cc1cc(cnc1)NCc2ccncc2","InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3","","2020-10-30","2020-11-06","5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine","2020-11-11"],["DLN","3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol","C16 H15 N5 O","n1c(c3c(nc1)n(nc3C#Cc2cccc(O)c2)C(C)C)N;CC(C)n1nc(C#Cc2cccc(O)c2)c3c(N)ncnc13;CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N","InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19)","","2009-11-09","2011-06-04","3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol",""],["WN8","(6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione","C18 H24 O8","C[CH]1CCCC(=O)[CH](O)[CH](O)CCCOc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(=O)C(C(CCCOc2cc(cc(c2C(=O)O1)O)O)O)O","InChI=1S/C18H24O8/c1-10-4-2-5-12(20)17(23)13(21)6-3-7-25-15-9-11(19)8-14(22)16(15)18(24)26-10/h8-10,13,17,19,21-23H,2-7H2,1H3/t10-,13?,17+/m0/s1","","2023-10-09","2025-04-11","(6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione","2025-04-16"],["DLP","1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","C44 H80 N O8 P","O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCC=C/CC=C/CCCCC;CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC","InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1","DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE","2002-05-13","2021-03-01","(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate",""],["WN9","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-3-methyl-butanoate","C15 H23 N6 O8 P","CC(C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CC(C)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N","InChI=1S/C15H23N6O8P/c1-6(2)8(16)15(24)29-30(25,26)27-3-7-10(22)11(23)14(28-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H,25,26)(H2,17,18,19)/t7-,8+,10-,11-,14-/m1/s1","Valyl adenylate ","2023-10-11","2024-02-09","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-3-methyl-butanoate","2024-02-14"],["DLR","(2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one","C17 H15 N3 O S","O=C2N(Cc1ccccc1)C(SC2)c4ccc3nncc3c4;O=C1CS[CH](N1Cc2ccccc2)c3ccc4[nH]ncc4c3;c1ccc(cc1)CN2C(SCC2=O)c3ccc4c(c3)cn[nH]4","InChI=1S/C17H15N3OS/c21-16-11-22-17(20(16)10-12-4-2-1-3-5-12)13-6-7-15-14(8-13)9-18-19-15/h1-9,17H,10-11H2,(H,18,19)/t17-/m1/s1","","2015-01-29","2015-10-02","(2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one","2015-10-07"],["DLS","DI-ACETYL-LYSINE","C10 H18 N2 O4","O=C(NC(C(=O)O)CCCCNC(=O)C)C;CC(=O)NCCCC[CH](NC(C)=O)C(O)=O;CC(=O)NCCCCC(C(=O)O)NC(=O)C","InChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1","","2000-10-11","2024-09-27","N~2~,N~6~-diacetyl-L-lysine",""],["WNA","1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine","C10 H13 N5","c2(NCc1c(C)cccc1)nnnn2C;Cn1nnnc1NCc2ccccc2C;Cc1ccccc1CNc2nnnn2C","InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)","","2020-10-30","2020-11-06","1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine","2020-11-11"],["WNB","(1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid","C19 H16 Cl N O2","O=C(O)C1CC1c1cc2ccccc2n1Cc1cccc(Cl)c1;OC(=O)[CH]1C[CH]1c2cc3ccccc3n2Cc4cccc(Cl)c4;c1ccc2c(c1)cc(n2Cc3cccc(c3)Cl)C4CC4C(=O)O","InChI=1S/C19H16ClNO2/c20-14-6-3-4-12(8-14)11-21-17-7-2-1-5-13(17)9-18(21)15-10-16(15)19(22)23/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m0/s1","","2023-05-15","2023-06-09","(1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid","2023-06-14"],["DLT","3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium","C8 H17 F N O2","O=C(O)CCC[N+](C)(C)CCF;C[N+](C)(CCF)CCCC(O)=O;C[N+](C)(CCCC(=O)O)CCF","InChI=1S/C8H16FNO2/c1-10(2,7-5-9)6-3-4-8(11)12/h3-7H2,1-2H3/p+1","","2013-03-27","2014-09-05","3-carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium","2014-03-12"],["DLU","(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide","C20 H19 F2 N3 O5","Fc1ccc(c(F)c1)CNC(=O)C4=CN3C(C(=O)N2C(CCOC2C3)C)=C(O)C4=O;C[CH]1CCO[CH]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O;CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O","InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1","Dolutegravir","2011-05-23","2021-03-01","(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",""],["WNC","(5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione","C17 H22 O8","C[CH]1CCCC(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1;CC1CCCC(=O)C(C(CCOc2cc(cc(c2C(=O)O1)O)O)O)O","InChI=1S/C17H22O8/c1-9-3-2-4-11(19)16(22)12(20)5-6-24-14-8-10(18)7-13(21)15(14)17(23)25-9/h7-9,12,16,18,20-22H,2-6H2,1H3/t9-,12-,16-/m0/s1","","2023-10-09","2025-04-11","(5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione","2025-04-16"],["DLW","(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one","C22 H23 N O3","CCOc1ccccc1N=C(C)C2=C(O)C[CH](CC2=O)c3ccccc3;CCOc1ccccc1N=C(C)C2=C(CC(CC2=O)c3ccccc3)O","InChI=1S/C22H23NO3/c1-3-26-21-12-8-7-11-18(21)23-15(2)22-19(24)13-17(14-20(22)25)16-9-5-4-6-10-16/h4-12,17,24H,3,13-14H2,1-2H3/b23-15+/t17-/m0/s1","KNI-10075","2018-01-24","2020-06-17","(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one","2018-03-21"],["WND","2-methyl-1-[(oxan-4-yl)amino]propan-2-ol","C9 H19 N O2","CC(C)(CNC1CCOCC1)O;CC(C)(O)CNC1CCOCC1;CC(C)(CNC1CCOCC1)O","InChI=1S/C9H19NO2/c1-9(2,11)7-10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3","","2020-10-30","2020-11-06","2-methyl-1-[(oxan-4-yl)amino]propan-2-ol","2020-11-11"],["WNE","3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one","C24 H31 F N6 O3 S","O=C1NC2C(CCCCCc3nnn(CCCCN4c5cc(C)ccc5OC4=O)c3F)SCC2N1;Cc1ccc2OC(=O)N(CCCCn3nnc(CCCCC[CH]4SC[CH]5NC(=O)N[CH]45)c3F)c2c1;Cc1ccc2c(c1)N(C(=O)O2)CCCCn3c(c(nn3)CCCCCC4C5C(CS4)NC(=O)N5)F","InChI=1S/C24H31FN6O3S/c1-15-9-10-19-18(13-15)30(24(33)34-19)11-5-6-12-31-22(25)16(28-29-31)7-3-2-4-8-20-21-17(14-35-20)26-23(32)27-21/h9-10,13,17,20-21H,2-8,11-12,14H2,1H3,(H2,26,27,32)/t17-,20-,21-/m0/s1","","2022-09-30","2022-11-25","3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one","2022-11-30"],["DLX","2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione","C45 H66 O2","CC(C)CCC[CH](C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)c2ccccc2C1=O;CC(C)CCCC(C)CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)c2ccccc2C1=O)C)C)C)C)C","InChI=1S/C45H66O2/c1-34(2)17-11-18-35(3)19-12-20-36(4)21-13-22-37(5)23-14-24-38(6)25-15-26-39(7)27-16-28-40(8)31-32-41-33-44(46)42-29-9-10-30-43(42)45(41)47/h9-10,21,23,25,27,29-31,33-35H,11-20,22,24,26,28,32H2,1-8H3/b36-21-,37-23-,38-25-,39-27+,40-31+/t35-/m1/s1","","2019-08-15","2020-05-08","2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione","2020-05-13"],["WNF","(1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid","C15 H20 O3","O=C(O)C1CCCCC1COc1cc(C)ccc1;Cc1cccc(OC[CH]2CCCC[CH]2C(O)=O)c1;Cc1cccc(c1)OCC2CCCCC2C(=O)O","InChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1","","2023-05-15","2023-06-09","(1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid","2023-06-14"],["DLY","D-LYSINE","C6 H14 N2 O2","O=C(O)C(N)CCCCN;NCCCC[CH](N)C(O)=O;C(CCN)CC(C(=O)O)N","InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1","","1999-07-08","2023-11-03","D-lysine",""],["DLZ","1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol","C13 H18 N4 O6","O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO;CC1=C(C)N(C[CH](O)[CH](O)[CH](O)CO)C2=NC(=O)NC(=O)C2=N1;CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C","InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1","6,7-dimethyl-8-(1'-D-ribityl) lumazine","2009-06-16","2020-06-17","1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol",""],["WNG","N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine","C15 H13 N3","c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3;N(C=Cc1ccccc1)c2[nH]c3ccccc3n2;c1ccc(cc1)C=CNc2[nH]c3ccccc3n2","InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10-","","2020-10-30","2020-11-06","N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine","2020-11-11"],["DM0","N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine","C10 H22 N2 O2","O=C(O)C(N(C)C)CCCCN(C)C;CN(C)CCCC[CH](N(C)C)C(O)=O;CN(C)CCCCC(C(=O)O)N(C)C","InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1","","2008-03-25","2024-09-27","N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine",""],["WNH","{(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol","C17 H21 F3 N6 O","FC(F)(F)c1cc(nc(n1)N1CCC1CO)c1cn(nc1)C1CCNCC1;OC[CH]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(c3)C4CCNCC4;c1c(nc(nc1C(F)(F)F)N2CCC2CO)c3cnn(c3)C4CCNCC4","InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1","","2023-10-09","2023-12-01","{(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol","2023-12-06"],["DM1","DAUNOMYCIN","C27 H29 N O10","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(C)=O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O","InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1","DAUNORUBICIN","1999-07-08","2020-06-17","(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",""],["WNI","Ni-substituted alpha-Keggin","Ni O39 P W11","O=[W]123O[Ni]456O[W]789(=O)O[W]%10%11(=O)(O1)O[W]%12%13(=O)(O2)O[W]%14%15%16(=O)O[W]%17(=O)(O4)(O3)O[W]%18%19(=O)(O[W]%20(=O)(O5)(O7)O[W]%21%22(=O)(O[W]%23(=O)(O%10)(O8)O[W](=O)(O%12)(O%14)(O%21)[O]%22%23[P](=[O]%11%13)([O]69%20)[O]%15%17%18)O%19)O%16;O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8","InChI=1S/Ni.O4P.35O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2019-05-28","2019-09-13","","2019-09-18"],["DM2","DOXORUBICIN","C27 H29 N O11","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(N)C4)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O","InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1","ADRIAMYCIN","1999-07-08","2021-03-01","(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",""],["WNJ","N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine","C10 H15 N3","C1CNCC1CNc2ccccn2;C1C[CH](CN1)CNc2ccccn2;c1ccnc(c1)NCC2CCNC2","InChI=1S/C10H15N3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2,(H,12,13)/t9-/m1/s1","","2020-10-30","2020-11-06","N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine","2020-11-11"],["WNK","N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide","C27 H31 N5 O4 S","CC(C)(C)n1cc(c(n1)c1cc(O)ccc1)c1ccnc(NCCCNS(=O)(=O)c2ccc(O)cc2)c1;CC(C)(C)n1cc(c2ccnc(NCCCN[S](=O)(=O)c3ccc(O)cc3)c2)c(n1)c4cccc(O)c4;CC(C)(C)n1cc(c(n1)c2cccc(c2)O)c3ccnc(c3)NCCCNS(=O)(=O)c4ccc(cc4)O","InChI=1S/C27H31N5O4S/c1-27(2,3)32-18-24(26(31-32)20-6-4-7-22(34)16-20)19-12-15-29-25(17-19)28-13-5-14-30-37(35,36)23-10-8-21(33)9-11-23/h4,6-12,15-18,30,33-34H,5,13-14H2,1-3H3,(H,28,29)","","2022-10-03","2023-10-13","N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide","2023-10-18"],["DM3","6-DEOXYDAUNOMYCIN","C27 H29 N O9","O=C2c1cc5c(c(O)c1C(=O)c3c2cccc3OC)C(OC4OC(C(O)C(N)C4)C)CC(O)(C(=O)C)C5;COc1cccc2C(=O)c3cc4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(C)=O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O","InChI=1S/C27H29NO9/c1-11-23(30)16(28)8-19(36-11)37-18-10-27(34,12(2)29)9-13-7-15-22(25(32)20(13)18)26(33)21-14(24(15)31)5-4-6-17(21)35-3/h4-7,11,16,18-19,23,30,32,34H,8-10,28H2,1-3H3/t11-,16-,18-,19-,23+,27-/m0/s1","","1999-07-08","2011-06-04","(1S,3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",""],["DM4","1-O-DEMETHYL-6-DEOXYDOXORUBICIN","C26 H27 N O10","O=C2c1cc5c(c(O)c1C(=O)c3c2cccc3O)C(OC4OC(C(O)C(N)C4)C)CC(O)(C(=O)CO)C5;C[CH]1O[CH](C[CH](N)[CH]1O)O[CH]2C[C](O)(Cc3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O","InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18-,22+,26-/m0/s1","","1999-07-08","2011-06-04","(1S,3S)-3,10,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",""],["WNL","(6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","C14 H16 N2 O2 S","S=C1NC(c2cccc(OC)c2)=C(CC)C(=O)N1C;CCC1=C(NC(=S)N(C)C1=O)c2cccc(OC)c2;CCC1=C(NC(=S)N(C1=O)C)c2cccc(c2)OC","InChI=1S/C14H16N2O2S/c1-4-11-12(15-14(19)16(2)13(11)17)9-6-5-7-10(8-9)18-3/h5-8H,4H2,1-3H3,(H,15,19)","","2023-05-15","2023-06-09","(6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one","2023-06-14"],["DM5","IDARUBICIN","C26 H27 N O9","O=C2c1c(O)c5c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C;C[CH]1O[CH](C[CH](N)[CH]1O)O[CH]2C[C](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(C)=O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O","InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1","4-DEMETHOXY-DAUNORUBICIN","1999-07-08","2020-06-17","(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",""],["WNM","(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine","C10 H14 N2 O2 S","c2(S(N1CCC(N)C1)(=O)=O)ccccc2;N[CH]1CCN(C1)[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)N2CCC(C2)N","InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1","","2020-10-30","2020-11-06","(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine","2020-11-11"],["WNN","4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide","C20 H18 N6 O3 S","O=C1c4ccccc4N=C(N1)C(=O)NCc3cc(OCCSc2ncnn2)ccc3;O=C(NCc1cccc(OCCSc2n[nH]cn2)c1)C3=Nc4ccccc4C(=O)N3;c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4","InChI=1S/C20H18N6O3S/c27-18-15-6-1-2-7-16(15)24-17(25-18)19(28)21-11-13-4-3-5-14(10-13)29-8-9-30-20-22-12-23-26-20/h1-7,10,12H,8-9,11H2,(H,21,28)(H,22,23,26)(H,24,25,27)","","2013-01-22","2017-01-13","4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide","2017-01-18"],["DM6","4'-EPIDOXORUBICIN","C27 H30 N O11","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(C4)[NH3+])C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH]([NH3+])[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O","InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1","4'-EPIADRIAMYCIN","1999-07-08","2021-03-01","(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside",""],["WNO","2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine","C15 H18 N4","CCN1CCN[CH]1c2cccc(n2)c3ccccn3;CCN1CCNC1c2cccc(n2)c3ccccn3","InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1","","2023-10-09","2024-05-03","2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine","2024-05-08"],["DM7","4'-DEOXY-4'-IODODOXORUBICIN","C27 H29 I N O10","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(I)C(C4)[NH3+])C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH]([NH3+])[CH](I)[CH](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I","InChI=1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1","4'-DEOXY-4'-IODOADRIAMYCIN","1999-07-08","2020-06-17","(2S,3S,4S,6R)-3-iodo-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}tetrahydro-2H-pyran-4-aminium",""],["WNP","N-(3-chlorophenyl)-2,2,2-trifluoroacetamide","C8 H5 Cl F3 N O","c1cc(NC(C(F)(F)F)=O)cc(c1)Cl;FC(F)(F)C(=O)Nc1cccc(Cl)c1;c1cc(cc(c1)Cl)NC(=O)C(F)(F)F","InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)","","2020-10-30","2020-11-06","N-(3-chlorophenyl)-2,2,2-trifluoroacetamide","2020-11-11"],["DM8","2'-BROMO-4'-EPIDAUNORUBICIN","C27 H28 Br N O10","O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4Br)C;COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5O[CH](C)[CH](O)[CH](N)[CH]5Br)c4c(O)c3C(=O)c12)C(C)=O;CC1C(C(C(C(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O","InChI=1S/C27H28BrNO10/c1-9-21(31)20(29)19(28)26(38-9)39-14-8-27(36,10(2)30)7-12-16(14)25(35)18-17(23(12)33)22(32)11-5-4-6-13(37-3)15(11)24(18)34/h4-6,9,14,19-21,26,31,33,35-36H,7-8,29H2,1-3H3/t9-,14-,19+,20-,21-,26-,27-/m0/s1","WP401; DAUNOMYCIN DERIVATIVE; DAUNORUBICIN DERIVATIVE","1999-07-08","2020-06-17","(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2-bromo-2,3,6-trideoxy-alpha-L-mannopyranoside",""],["WNQ","4-(4-methylpiperazine-1-sulfonyl)benzamide","C12 H17 N3 O3 S","CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O;CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)C(N)=O;CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)N","InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)","","2022-10-04","2023-01-13","4-(4-methylpiperazine-1-sulfonyl)benzamide","2023-01-18"],["DM9","N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN","C31 H39 N O12","O=C(C)C5(O)CC(OC1OC(C(O)C(N(CCOC)CO)C1)C)c4c(O)c3c(O)c2c(OC)cccc2c(O)c3c(O)c4C5;COCCN(CO)[CH]1C[CH](O[CH](C)[CH]1O)O[CH]2C[C](O)(Cc3c(O)c4c(O)c5cccc(OC)c5c(O)c4c(O)c23)C(C)=O;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)N(CCOC)CO)O","InChI=1S/C31H39NO12/c1-14-26(35)18(32(13-33)8-9-41-3)10-21(43-14)44-20-12-31(40,15(2)34)11-17-23(20)30(39)25-24(28(17)37)27(36)16-6-5-7-19(42-4)22(16)29(25)38/h5-7,14,18,20-21,26,33,35-40H,8-13H2,1-4H3/t14-,18-,20-,21-,26+,31-/m0/s1","","1999-07-30","2011-06-04","(1S,3S)-3-acetyl-3,5,6,11,12-pentahydroxy-10-methoxy-1,2,3,4-tetrahydrotetracen-1-yl 2,3,6-trideoxy-3-[(hydroxymethyl)(2-methoxyethyl)amino]-alpha-L-lyxo-hexopyranoside",""],["WNR","3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid","C20 H16 O3","O=C(O)c1cccc(COc2ccccc2c2ccccc2)c1;OC(=O)c1cccc(COc2ccccc2c3ccccc3)c1;c1ccc(cc1)c2ccccc2OCc3cccc(c3)C(=O)O","InChI=1S/C20H16O3/c21-20(22)17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2,(H,21,22)","","2023-05-15","2023-06-09","3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid","2023-06-14"],["DMA","DIMETHYLALLYL DIPHOSPHATE","C5 H12 O7 P2","O=P(OP(=O)(OC/C=C(/C)C)O)(O)O;CC(C)=CCO[P](O)(=O)O[P](O)(O)=O;CC(=CCOP(=O)(O)OP(=O)(O)O)C","InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)","","1999-07-08","2011-06-04","3-methylbut-2-en-1-yl trihydrogen diphosphate",""],["DMB","2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","C15 H14 N2 O3","O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C;Cc1cc(cc(C)c1O)N=Nc2ccccc2C(O)=O;Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O","InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+","","1999-07-08","2011-06-04","2-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoic acid",""],["WNS","N-(2-chloropyridin-3-yl)butanamide","C9 H11 Cl N2 O","c1ccc(NC(CCC)=O)c(n1)Cl;CCCC(=O)Nc1cccnc1Cl;CCCC(=O)Nc1cccnc1Cl","InChI=1S/C9H11ClN2O/c1-2-4-8(13)12-7-5-3-6-11-9(7)10/h3,5-6H,2,4H2,1H3,(H,12,13)","","2020-10-30","2020-11-06","N-(2-chloropyridin-3-yl)butanamide","2020-11-11"],["DMC","3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID","C14 H19 N O3","O=C(O)/C(=C/c1ccc(cc1O)N(CC)CC)C;CCN(CC)c1ccc(C=C(C)C(O)=O)c(O)c1;CCN(CC)c1ccc(c(c1)O)C=C(C)C(=O)O","InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)/b10-8+","PARA-DIETHYLAMINO-O-HYDROXY-ALPHA-METHYL CINNAMIC ACID","1999-07-08","2021-03-01","(2E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid",""],["WNT","(4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione","C19 H24 O7","COc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CC=Cc2c1;CC1CCCC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O","InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/t11-,15?,18-/m0/s1","","2023-10-09","2025-01-17","(4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione","2025-01-22"],["WNU","2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one","C16 H15 Cl N5 O7 P S","Clc1ccc(cc1)Sc1nc2c(N=C(N)NC2=O)n1C1OC2COP(=O)(O)OC2C1O;NC1=Nc2n([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c(Sc5ccc(Cl)cc5)nc2C(=O)N1;c1cc(ccc1Sc2nc3c(n2C4C(C5C(O4)COP(=O)(O5)O)O)N=C(NC3=O)N)Cl","InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1","","2022-10-04","2023-05-11","2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one","2023-05-10"],["DMD","5,6-DIMETHYLBENZIMIDAZOLE","C9 H10 N2","n2c1cc(c(cc1nc2)C)C;Cc1cc2[nH]cnc2cc1C;Cc1cc2c(cc1C)nc[nH]2","InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)","","1999-09-16","2011-06-04","5,6-dimethyl-1H-benzimidazole",""],["WNV","N,N,2,3-tetramethylbenzamide","C11 H15 N O","c1(cccc(C(=O)N(C)C)c1C)C;CN(C)C(=O)c1cccc(C)c1C;Cc1cccc(c1C)C(=O)N(C)C","InChI=1S/C11H15NO/c1-8-6-5-7-10(9(8)2)11(13)12(3)4/h5-7H,1-4H3","","2020-10-30","2020-11-06","N,N,2,3-tetramethylbenzamide","2020-11-11"],["DME","DECAMETHONIUM ION","C16 H38 N2","C(CCCC[N+](C)(C)C)CCCCC[N+](C)(C)C;C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C;C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C","InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2","","1999-07-08","2011-06-04","N,N,N,N',N',N'-hexamethyldecane-1,10-diaminium",""],["DMF","DIMETHYLFORMAMIDE","C3 H7 N O","O=CN(C)C;CN(C)C=O;CN(C)C=O","InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3","","1999-07-08","2011-06-04","N,N-dimethylformamide",""],["WNW","4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide","C18 H24 N2 O3 S","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CC2CC1C1CCCC21;Cc1ccc(cc1)[S](=O)(=O)NC(=O)N[CH]2C[CH]3C[CH]2[CH]4CCC[CH]34;Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CC3CC2C4C3CCC4","InChI=1S/C18H24N2O3S/c1-11-5-7-13(8-6-11)24(22,23)20-18(21)19-17-10-12-9-16(17)15-4-2-3-14(12)15/h5-8,12,14-17H,2-4,9-10H2,1H3,(H2,19,20,21)/t12-,14-,15-,16-,17-/m1/s1","","2023-05-15","2023-06-09","4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide","2023-06-14"],["DMG","N,N-DIMETHYLGLYCINE","C4 H9 N O2","O=C(O)CN(C)C;CN(C)CC(O)=O;CN(C)CC(=O)O","InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)","DIMETHYLGLYCINE","2000-03-20","2024-09-27","N,N-dimethylglycine",""],["WNX","methyl [(4S,6P,10aM)-6-(1H-indol-6-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate","C23 H21 N5 O3","O=C(OC)CC1N=C(c2cc(OC)ccc2n2c(C)nnc12)c1ccc2cc[NH]c2c1;COC(=O)C[CH]1N=C(c2ccc3cc[nH]c3c2)c4cc(OC)ccc4n5c(C)nnc15;Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)OC)c4ccc5cc[nH]c5c4)OC","InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(15-5-4-14-8-9-24-18(14)10-15)17-11-16(30-2)6-7-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3/t19-/m0/s1","","2023-10-09","2025-03-28","methyl [(4S,6P,10aM)-6-(1H-indol-6-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate","2025-04-02"],["DMH","N4,N4-DIMETHYL-ASPARAGINE","C6 H12 N2 O3","O=C(N(C)C)CC(N)C(=O)O;CN(C)C(=O)C[CH](N)C(O)=O;CN(C)C(=O)CC(C(=O)O)N","InChI=1S/C6H12N2O3/c1-8(2)5(9)3-4(7)6(10)11/h4H,3,7H2,1-2H3,(H,10,11)/t4-/m0/s1","","2001-08-24","2024-09-27","N,N-dimethyl-L-asparagine",""],["WNY","1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one","C12 H15 Cl N2 O","c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl;CC(=O)N1CCN(CC1)c2ccc(Cl)cc2;CC(=O)N1CCN(CC1)c2ccc(cc2)Cl","InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3","","2020-10-30","2020-11-06","1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one","2020-11-11"],["DMI","2,3-DIMETHYLIMIDAZOLIUM ION","C5 H9 N2","c1c[nH+]c(n1C)C;Cn1cc[nH+]c1C;Cc1[nH+]ccn1C","InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/p+1","","1999-07-08","2011-06-04","1,2-dimethyl-1H-imidazol-3-ium",""],["WNZ","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate","C29 H58 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC","InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1","","2022-10-04","2023-05-19","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate","2023-05-24"],["DMJ","1-DEOXYMANNOJIRIMYCIN","C6 H13 N O4","OC1C(NCC(O)C1O)CO;OC[CH]1NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)CO)O)O)O","InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1","","2000-09-08","2011-06-04","(2R,3R,4R,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["WO0","[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid","C17 H30 O3","O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C;C[CH]1C[CH]2[CH](C[C]1(O)CC(O)=O)C(C)(C)CCC2(C)C;CC1CC2C(CC1(CC(=O)O)O)C(CCC2(C)C)(C)C","InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1","","2023-05-15","2024-01-31","[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid","2023-06-14"],["WO1","(3R)-1-methylpiperidin-3-yl furan-2-carboxylate","C11 H15 N O3","c2cc(C(=O)OC1CCCN(C)C1)oc2;CN1CCC[CH](C1)OC(=O)c2occc2;CN1CCCC(C1)OC(=O)c2ccco2","InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1","","2020-10-30","2020-11-06","(3R)-1-methylpiperidin-3-yl furan-2-carboxylate","2020-11-11"],["DMK","3,3-DIMETHYL ASPARTIC ACID","C6 H11 N O4","NC(C(C(O)=O)(C)C)C(=O)O;CC(C)([CH](N)C(O)=O)C(O)=O;CC(C)(C(C(=O)O)N)C(=O)O","InChI=1S/C6H11NO4/c1-6(2,5(10)11)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-/m1/s1","","2003-01-30","2024-09-27","3,3-dimethyl-L-aspartic acid",""],["WO2","OCTADECATUNGSTENYL DIPHOSPHATE","O62 P2 W18","O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]456O[W]78O[W]9%10O[W]%11%12O[W]%13(O7)O[W]%14%15(O[P]%16%17O[W]%18%19(O%11)O[W]%20%21O[W]%22%23O[W]1(O9)(O%18)O[W]%24%25(O%22)O[W]%26(O%10)(O8)O[W](O4)(O[W](O2)(O%23)(O5)O[W](O%16)(O%20)(O%14)O[W]%27%28(O%15)O[W]%29(O%12)(O%13)O[W](O%21)(O%19)(O%27)[O]%17%28%29)(O%24)[O]3%25%26)O6;[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]","InChI=1S/2HO4P.18H2O.36O.18W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*5H;18*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;18*+1/p-18","","2000-01-20","2023-09-23","oxygen; phosphorus; tungsten",""],["DML","TERMINAL DIMETHYL","C2 H6","[CH3].[CH3];[CH3].[CH3]","InChI=1/2CH4/h2*1H4","","1999-07-08","2020-03-11","$l^{3}-carbane",""],["WO3","TRI-TUNGSTEN(VI) OXIDE COMPLEX","O13 W3","O=[W+3]12(=O)(=O)O[W-3]3(=O)(=O)(=O)O[W](=[O]13)(=O)(=O)(=O)O2;O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O","InChI=1S/13O.3W","","2007-01-31","2023-09-23","",""],["DMM","3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN","C32 H37 N O13","O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC6OC5OC(C)C(O)C(N4CCOC(OC)C4)C5;CO[CH]1CN(CCO1)[CH]2C[CH](O[CH](C)[CH]2O)O[CH]3C[C](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO;CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O","InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1","","1999-07-08","2011-06-04","(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2S)-2-methoxymorpholin-4-yl]-alpha-L-lyxo-hexopyranoside",""],["WO4","TUNGSTATE(VI)ION","O4 W","[O-][W]([O-])(=O)=O;[O-][W]([O-])(=O)=O;[O-][W](=O)(=O)[O-]","InChI=1S/4O.W/q;;2*-1;","","1999-07-08","2011-06-04","dioxido(dioxo)tungsten",""],["DMN","DIMETHYLAMINE","C2 H7 N","N(C)C;CNC;CNC","InChI=1S/C2H7N/c1-3-2/h3H,1-2H3","","1999-07-08","2026-03-27","N-methylmethanamine",""],["DMO","ALPHA-DIFLUOROMETHYLORNITHINE","C6 H12 F2 N2 O2","FC(F)C(N)(C(=O)O)CCCN;NCCC[C](N)(C(F)F)C(O)=O;C(CC(C(F)F)(C(=O)O)N)CN","InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1","","1999-07-08","2024-09-27","2-(difluoromethyl)-L-ornithine",""],["WO5","TUNGSTATE(VI) ION","H5 O5 W","O[W](O)(O)(O)O;O[W](O)(O)(O)O;O[W](O)(O)(O)O","InChI=1S/5H2O.W/h5*1H2;/q;;;;;+5/p-5","","2004-04-01","2011-06-04","tungsten(5+) pentahydroxide",""],["DMP","[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN\nYLMETHYL)]-2H-1,3-DIAZEPINONE","C35 H38 N2 O5","O=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO;OCc1ccc(CN2[CH](Cc3ccccc3)[CH](O)[CH](O)[CH](Cc4ccccc4)N(Cc5ccc(CO)cc5)C2=O)cc1;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O","InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1","DMP323(INHIBITOR OF DUPONT MERCK)","1999-07-08","2020-06-17","(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one",""],["WO6","trioxido(oxo)tungsten","O4 W","[O-][W]([O-])([O-])=O;[O-][W]([O-])([O-])=O;[O-][W](=O)([O-])[O-]","InChI=1S/4O.W/q;3*-1;","","2007-12-12","2011-06-04","trioxido(oxo)tungsten",""],["WO7","1-(1,4-diazepan-1-yl)ethan-1-one","C7 H14 N2 O","C1CNCCCN1C(C)=O;CC(=O)N1CCCNCC1;CC(=O)N1CCCNCC1","InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3","","2020-10-30","2020-11-06","1-(1,4-diazepan-1-yl)ethan-1-one","2020-11-11"],["DMQ","[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE","C33 H36 N4 O3","O=C1N(C(C(O)C(O)C(N1Cc2cccc(N)c2)Cc3ccccc3)Cc4ccccc4)Cc5cccc(N)c5;Nc1cccc(CN2[CH](Cc3ccccc3)[CH](O)[CH](O)[CH](Cc4ccccc4)N(Cc5cccc(N)c5)C2=O)c1;c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O","InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1","DMP450(INHIBITOR OF DUPONT MERCK)","1999-07-08","2021-03-01","(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one",""],["DMR","2-HYDROXY-SUCCINIC ACID","C4 H6 O5","O=C(O)C(O)CC(=O)O;O[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)O)C(=O)O","InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1","D-Malate","1999-07-27","2013-02-04","(2R)-2-hydroxybutanedioic acid",""],["WO8","(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid","C46 H50 Cl N7 O11 S2","O=C1NC(=O)CCC1N1c2ccc(cc2N(C)C1=O)C1CCN(CC1)C(=O)Nc1cccc(c1)CS(=O)(=O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=O)O)c1Cl)C(=O)O;CN1C(=O)N([CH]2CCC(=O)NC2=O)c3ccc(cc13)C4CCN(CC4)C(=O)Nc5cccc(C[S](=O)(=O)N6CC[CH](CC6(C)C)Nc7cccc(c7)c8sc(C(O)=O)c(OCC(O)=O)c8Cl)c5;CC1(CC(CCN1S(=O)(=O)Cc2cccc(c2)NC(=O)N3CCC(CC3)c4ccc5c(c4)N(C(=O)N5C6CCC(=O)NC6=O)C)Nc7cccc(c7)c8c(c(c(s8)C(=O)O)OCC(=O)O)Cl)C","InChI=1S/C46H50ClN7O11S2/c1-46(2)23-32(48-31-9-5-7-29(21-31)40-38(47)39(65-24-37(56)57)41(66-40)43(59)60)16-19-53(46)67(63,64)25-26-6-4-8-30(20-26)49-44(61)52-17-14-27(15-18-52)28-10-11-33-35(22-28)51(3)45(62)54(33)34-12-13-36(55)50-42(34)58/h4-11,20-22,27,32,34,48H,12-19,23-25H2,1-3H3,(H,49,61)(H,56,57)(H,59,60)(H,50,55,58)/t32-,34+/m0/s1","","2023-10-09","2024-09-06","(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid","2024-09-11"],["DMS","DIMETHYL SULFOXIDE","C2 H6 O S","sulfinyldimethane;C[S](C)=O;CS(=O)C","InChI=1S/C2H6OS/c1-4(2)3/h1-2H3","","1999-07-08","2024-09-27","dimethyl sulfoxide",""],["WO9","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate","C34 H68 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC;CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC","InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-18-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1","","2022-10-04","2023-03-17","(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate","2023-03-22"],["WOA","(3S)-3-(methylamino)-1-phenylpiperidin-2-one","C12 H16 N2 O","c2(N1CCCC(NC)C1=O)ccccc2;CN[CH]1CCCN(C1=O)c2ccccc2;CNC1CCCN(C1=O)c2ccccc2","InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1","","2020-10-30","2020-11-06","(3S)-3-(methylamino)-1-phenylpiperidin-2-one","2020-11-11"],["DMT","3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID","C11 H21 N O3","O=C(O)C(NC)C(O)C(C/C=C/C)(C)C;CN[CH]([CH](O)C(C)(C)CC=CC)C(O)=O;CC=CCC(C)(C)C(C(C(=O)O)NC)O","InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1","","1999-07-08","2024-09-27","4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid",""],["WOB","5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid","C15 H8 Cl F6 N O3","FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)c1ccc(Cl)cc1;OC(=O)c1cc(c(OCC(F)(F)F)nc1C(F)(F)F)c2ccc(Cl)cc2;c1cc(ccc1c2cc(c(nc2OCC(F)(F)F)C(F)(F)F)C(=O)O)Cl","InChI=1S/C15H8ClF6NO3/c16-8-3-1-7(2-4-8)9-5-10(13(24)25)11(15(20,21)22)23-12(9)26-6-14(17,18)19/h1-5H,6H2,(H,24,25)","","2023-05-15","2023-06-09","5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid","2023-06-14"],["DMU","DECYL-BETA-D-MALTOPYRANOSIDE","C22 H42 O11","O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO;CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1","DECYLMALTOSIDE","2003-12-02","2021-03-01","decyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside",""],["WOC","2,2-dimethylbutanedioic acid","C6 H10 O4","O=C(O)C(C)(C)CC(=O)O;CC(C)(CC(O)=O)C(O)=O;CC(C)(CC(=O)O)C(=O)O","InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)","","2014-07-25","2024-09-27","2,2-dimethylbutanedioic acid","2014-08-20"],["DMV","2,3-DIHYDROXY-VALERIANIC ACID","C6 H12 O4","O=C(O)C(O)C(O)(C)CC;CC[C](C)(O)[CH](O)C(O)=O;CCC(C)(C(C(=O)O)O)O","InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1","","1999-09-29","2011-06-04","4,5-dideoxy-3-C-methyl-D-erythro-pentonic acid",""],["WOD","3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole","C9 H13 N3 O","C1C(CNC1)c3onc(C2CC2)n3;C1C[CH](CN1)c2onc(n2)C3CC3;C1CC1c2nc(on2)C3CCNC3","InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m1/s1","","2020-10-30","2020-11-06","3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole","2020-11-11"],["DMW","2,3-DIMETHYL-1,4-NAPHTHOQUINONE","C12 H10 O2","O=C2c1c(cccc1)C(=O)C(=C2C)C;CC1=C(C)C(=O)c2ccccc2C1=O;CC1=C(C(=O)c2ccccc2C1=O)C","InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3","","2005-05-14","2011-06-04","2,3-dimethylnaphthalene-1,4-dione",""],["DMX","3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE","C12 H19 N O3 S","[O-]S(=O)(=O)CCC[N+](C)(Cc1ccccc1)C;C[N+](C)(CCC[S]([O-])(=O)=O)Cc1ccccc1;C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1","InChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3","","2004-06-28","2011-06-04","3-[benzyl(dimethyl)ammonio]propane-1-sulfonate",""],["WOE","4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE","C11 H10 Cl N3 O","Clc2nc(nc(c1c(OC)cccc1)c2)N;COc1ccccc1c2cc(Cl)nc(N)n2;COc1ccccc1c2cc(nc(n2)N)Cl","InChI=1S/C11H10ClN3O/c1-16-9-5-3-2-4-7(9)8-6-10(12)15-11(13)14-8/h2-6H,1H3,(H2,13,14,15)","","2010-05-10","2011-06-04","4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine",""],["DMY","DISTAMYCIN A","C22 H27 N9 O4","O=C(Nc1cc(C(=O)NCCC(=[N@H])N)n(c1)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C;Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N;Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O","InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)","DISTAMYCIN; STALLIMYCIN","1999-07-08","2020-06-17","N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide",""],["WOF","8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline","C23 H29 N7 O6 S","O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)c1nnnc2c1sc1nc(NC)c3CCCCc3c12;CNc1nc2sc3c(nnnc3c2c4CCCCc14)N5CCN(CC5)[CH]6O[CH]([CH](O)[CH](O)[CH]6O)C(O)=O;CNc1c2c(c3c4c(c(nnn4)N5CCN(CC5)C6C(C(C(C(O6)C(=O)O)O)O)O)sc3n1)CCCC2","InChI=1S/C23H29N7O6S/c1-24-19-11-5-3-2-4-10(11)12-13-18(37-21(12)25-19)20(27-28-26-13)29-6-8-30(9-7-29)22-16(33)14(31)15(32)17(36-22)23(34)35/h14-17,22,31-33H,2-9H2,1H3,(H,24,25)(H,34,35)/t14-,15-,16+,17-,22+/m0/s1","","2023-10-09","2024-07-19","8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline","2024-07-24"],["WOG","(2E)-3-methylhept-2-en-1-yl dihydrogen phosphate","C8 H17 O4 P","OP(O)(=O)OCC=C(/C)CCCC;CCCCC(C)=CCO[P](O)(O)=O;CCCCC(=CCOP(=O)(O)O)C","InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+","","2021-02-09","2021-12-17","(2E)-3-methylhept-2-en-1-yl dihydrogen phosphate","2021-12-22"],["DMZ","4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE","C17 H17 N3 O2 S","O=S(=O)(c1ccc(cc1)C)N(c3ccnn3c2ccccc2)C;CN(c1ccnn1c2ccccc2)[S](=O)(=O)c3ccc(C)cc3;Cc1ccc(cc1)S(=O)(=O)N(C)c2ccnn2c3ccccc3","InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3","DIMETHYLSULFAPHENAZOLE","2002-11-22","2021-03-01","N,4-dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide",""],["WOH","benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name)","C19 H27 Cl N4 O5","ClCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1;CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)CCl;CC(C)CC(C(=O)NN(CCC(=O)N)C(=O)CCl)NC(=O)OCc1ccccc1","InChI=1S/C19H27ClN4O5/c1-13(2)10-15(22-19(28)29-12-14-6-4-3-5-7-14)18(27)23-24(17(26)11-20)9-8-16(21)25/h3-7,13,15H,8-12H2,1-2H3,(H2,21,25)(H,22,28)(H,23,27)/t15-/m0/s1","","2022-10-05","2024-09-27","benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name)","2023-10-11"],["DN","UNKNOWN 2'-DEOXYNUCLEOTIDE","C5 H11 O6 P","O=P(OCC1OCCC1O)(O)O;O[CH]1CCO[CH]1CO[P](O)(O)=O;C1COC(C1O)COP(=O)(O)O","InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1","","2010-06-02","2011-06-04","1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol",""],["DN0","2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide","C26 H29 N3 O3","O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4;c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4","InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)","","2019-08-15","2019-10-18","2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide","2019-10-23"],["WOI","4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid","C18 H13 F N2 O2 S","Fc1ccc(cc1)Sc1nc(nc(C)c1C(=O)O)c1ccccc1;Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3;Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O","InChI=1S/C18H13FN2O2S/c1-11-15(18(22)23)17(24-14-9-7-13(19)8-10-14)21-16(20-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23)","","2023-05-15","2023-06-09","4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid","2023-06-14"],["WOJ","(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine","C7 H16 N2 O2 S","CC1CN(CCC1N)S(C)(=O)=O;C[CH]1CN(CC[CH]1N)[S](C)(=O)=O;CC1CN(CCC1N)S(=O)(=O)C","InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1","","2020-10-30","2020-11-06","(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine","2020-11-11"],["DN1","3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB\nONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID","C26 H31 F2 N3 O7 S","O=C(O)C(O)C(NC(=O)C(NC(=O)C2(Nc1ccccc1C2)Cc3c(scc3)C(=O)O)CC(C)C)CC(F)F;CC(C)C[CH](NC(=O)[C]1(Cc2ccccc2N1)Cc3ccsc3C(O)=O)C(=O)N[CH](CC(F)F)[CH](O)C(O)=O;CC(C)CC(C(=O)NC(CC(F)F)C(C(=O)O)O)NC(=O)C1(Cc2ccccc2N1)Cc3ccsc3C(=O)O","InChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20-,26+/m1/s1","PEPTIDOMIMETIC INHIBITOR","2004-07-14","2024-09-27","3-{[N-({(2S)-2-[(2-carboxythiophen-3-yl)methyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)-D-leucyl]amino}-3,4,5-trideoxy-5,5-difluoro-D-erythro-pentonic acid",""],["WOK","(1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C30 H37 F4 N5 O5 S","FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(F)ccc3s1)C2(C)C)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5ccc(F)cc5n4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5cc(ccc5s4)F)O)C","InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(31)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15-,17-,19-,20-,21-,22+/m0/s1","Inhibitor TKB-272, hemithioacetal bound form","2023-10-09","2024-09-27","(1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-12-13"],["DN2","3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID","C26 H31 F2 N3 O7 S","O=C(O)C(O)C(NC(=O)C(NC(=O)C2(Nc1ccccc1C2)Cc3c(scc3)C(=O)O)CC(C)C)CC(F)F;CC(C)C[CH](NC(=O)[C]1(Cc2ccccc2N1)Cc3ccsc3C(O)=O)C(=O)N[CH](CC(F)F)[CH](O)C(O)=O;CC(C)CC(C(=O)NC(CC(F)F)C(C(=O)O)O)NC(=O)C1(Cc2ccccc2N1)Cc3ccsc3C(=O)O","InChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20+,26-/m0/s1","PEPTIDOMIMETIC INHIBITOR","2004-07-14","2024-09-27","3-{[N-({(2S)-2-[(2-carboxythiophen-3-yl)methyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)-L-leucyl]amino}-3,4,5-trideoxy-5,5-difluoro-L-threo-pentonic acid",""],["DN3","3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide","C17 H18 N6 O","O=C(c1cccc(c1)CN(C)C)Nc2cccc(c2)c3nnnn3;CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3;CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3","InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)","","2012-01-20","2012-03-23","3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide",""],["WOL","12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione","C24 H27 N O2","O=C1CCC2C3CCC4=CC(=O)CCC4(C)C3C=C(c3cccnc3)C21C;C[C]12CCC(=O)C=C1CC[CH]3[CH]4CCC(=O)[C]4(C)C(=C[CH]23)c5cccnc5;CC12CCC(=O)C=C1CCC3C2C=C(C4(C3CCC4=O)C)c5cccnc5","InChI=1S/C24H27NO2/c1-23-10-9-17(26)12-16(23)5-6-18-19-7-8-22(27)24(19,2)20(13-21(18)23)15-4-3-11-25-14-15/h3-4,11-14,18-19,21H,5-10H2,1-2H3/t18-,19-,21-,23-,24+/m0/s1","","2022-10-06","2023-07-28","12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione","2023-08-02"],["WOM","Picloram","C6 H3 Cl3 N2 O2","c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl;Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl;c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N","InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)","4-amino-3,5,6-trichloropyridine-2-carboxylic acid","2020-11-01","2021-11-26","4-amino-3,5,6-trichloropyridine-2-carboxylic acid","2021-12-01"],["DN4","[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]\n[(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate","C21 H27 N6 O18 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O)[CH]3O[P](O)(O)=O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O","InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1","Nicotinic acid adenine dinucleotide phosphate","2012-05-24","2020-06-17","[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate","2013-04-03"],["DN5","(2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","C22 H23 Cl2 N O3","CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)c(Cl)c4;CC(C)C(c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3","InChI=1S/C22H23Cl2NO3/c1-14(2)20(15-7-8-16(23)17(24)13-15)21(26)25-11-9-22(10-12-25)27-18-5-3-4-6-19(18)28-22/h3-8,13-14,20H,9-12H2,1-2H3/t20-/m0/s1","","2018-01-24","2018-03-29","(2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","2018-04-04"],["WON","6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol","C11 H9 N3 O3 S","Oc1nc(S)nnc1Cc1ccc2OCOc2c1;Oc1nc(S)nnc1Cc2ccc3OCOc3c2;c1cc2c(cc1Cc3c(nc(nn3)S)O)OCO2","InChI=1S/C11H9N3O3S/c15-10-7(13-14-11(18)12-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4H,3,5H2,(H2,12,14,15,18)","","2023-05-15","2023-06-09","6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol","2023-06-14"],["DN6","N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide","C15 H10 F3 N5 O","FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3;FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3;c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3","InChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)","","2012-01-20","2012-03-23","N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide",""],["WOO","beta-L-allopyranose","C6 H12 O6","OC1C(O)C(OC(O)C1O)CO;OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m0/s1","beta-L-allose; L-allose; allose","2014-07-23","2020-07-17","beta-L-allopyranose","2015-04-29"],["WOP","5-[[methyl-[[(1S)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid","C26 H25 N3 O6","O=C(NCc1ccccc1)C(c2ccccc2)NC(=O)N(C)Cc3ccc4OCOc4c3C(=O)O;CN(Cc1ccc2OCOc2c1C(O)=O)C(=O)N[CH](C(=O)NCc3ccccc3)c4ccccc4;CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)NC(c3ccccc3)C(=O)NCc4ccccc4","InChI=1S/C26H25N3O6/c1-29(15-19-12-13-20-23(35-16-34-20)21(19)25(31)32)26(33)28-22(18-10-6-3-7-11-18)24(30)27-14-17-8-4-2-5-9-17/h2-13,22H,14-16H2,1H3,(H,27,30)(H,28,33)(H,31,32)/t22-/m0/s1","","2013-11-14","2014-09-05","5-{[{[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl]carbamoyl}(methyl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid","2013-11-27"],["DN7","4-[(pyridin-2-yl)oxy]benzoic acid","C12 H9 N O3","c1cc(ccc1C(O)=O)Oc2ccccn2;OC(=O)c1ccc(Oc2ccccn2)cc1;c1ccnc(c1)Oc2ccc(cc2)C(=O)O","InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)","","2017-10-31","2018-10-26","4-[(pyridin-2-yl)oxy]benzoic acid","2018-10-31"],["DN8","3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide","C14 H10 Br N5 O","Brc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3;Brc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3;c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3","InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)","","2012-01-20","2012-03-23","3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide",""],["WOQ","Setiptiline","C19 H19 N","CN1CC2=C(CC1)c1ccccc1Cc1ccccc21;CN1CCC2=C(C1)c3ccccc3Cc4ccccc24;CN1CCC2=C(C1)c3ccccc3Cc4c2cccc4","InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3","[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine; Tecipul; delta(13b,4a),4a-Carba-mianserin; MO-8282; ORG-8282","2023-10-09","2024-04-26","[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine","2024-05-01"],["WOR","N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide","C11 H18 N2 O3 S","Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C;CC(C)N(C)[S](=O)(=O)Nc1cc(C)ccc1O;Cc1ccc(c(c1)NS(=O)(=O)N(C)C(C)C)O","InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3","","2022-10-06","2022-10-28","N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide","2022-11-02"],["DN9","(2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid","C16 H24 N3 O11 P","Cc1ncc(CO[P](O)(O)=O)c(CNCCNC(=O)C[C](O)(CC(O)=O)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)CC(CC(=O)O)(C(=O)O)O)O","InChI=1S/C16H24N3O11P/c1-9-14(23)11(10(6-19-9)8-30-31(27,28)29)7-17-2-3-18-12(20)4-16(26,15(24)25)5-13(21)22/h6,17,23,26H,2-5,7-8H2,1H3,(H,18,20)(H,21,22)(H,24,25)(H2,27,28,29)/t16-/m0/s1","","2019-08-16","2019-11-08","(2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid","2019-11-13"],["DNA","1,4-dihydroxy-2-naphthoic acid","C11 H8 O4","O=C(O)c2cc(O)c1ccccc1c2O;OC(=O)c1cc(O)c2ccccc2c1O;c1ccc2c(c1)c(cc(c2O)C(=O)O)O","InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)","1,4-dihydroxynaphthalene-2-carboxylic acid","2009-07-10","2020-06-17","1,4-dihydroxynaphthalene-2-carboxylic acid",""],["WOS","4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine","C17 H22 N4 O","Cc1cc(N)nc(CCc2cncc(c2)N3CCOCC3)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3","InChI=1S/C17H22N4O/c1-13-8-15(20-17(18)9-13)3-2-14-10-16(12-19-11-14)21-4-6-22-7-5-21/h8-12H,2-7H2,1H3,(H2,18,20)","","2016-02-10","2016-04-15","4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine","2016-04-20"],["WOT","phenylazanium","C6 H8 N","[NH3+]c1ccccc1;c1ccc(cc1)[NH3+]","InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/p+1","","2016-12-22","2017-05-19","phenylazanium","2017-05-24"],["DNB","(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol","C11 H17 N3 O3","OC2C(c1ccc(N)c(N)c1)NC(CO)C2O;Nc1ccc(cc1N)[CH]2N[CH](CO)[CH](O)[CH]2O;c1cc(c(cc1C2C(C(C(N2)CO)O)O)N)N","InChI=1S/C11H17N3O3/c12-6-2-1-5(3-7(6)13)9-11(17)10(16)8(4-15)14-9/h1-3,8-11,14-17H,4,12-13H2/t8-,9+,10-,11+/m1/s1","Diaminophenyl iminoribitol","2009-02-12","2021-03-01","(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol",""],["DNC","3,5-DINITROCATECHOL","C6 H4 N2 O6","[O-][N+](=O)c1cc([N+]([O-])=O)cc(O)c1O;Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O;c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]","InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H","","1999-07-08","2011-06-04","3,5-dinitrobenzene-1,2-diol",""],["WOU","(1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","C19 H23 N3 O4 S","O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1;Cc1noc(n1)c2c(NC(=O)[CH]3CCCC[CH]3C(O)=O)sc4CCCCc24;Cc1nc(on1)c2c3c(sc2NC(=O)C4CCCCC4C(=O)O)CCCC3","InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m0/s1","","2023-05-15","2023-06-09","(1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","2023-06-14"],["DND","NICOTINIC ACID ADENINE DINUCLEOTIDE","C21 H27 N6 O15 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O)[CH]3O;c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O","InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1","DEAMIDO-NAD+","2001-04-16","2020-06-17","1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid",""],["WOV","2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid","C13 H13 N O3","c1(C)ccc(n1c2ccc(cc2C(O)=O)O)C;Cc1ccc(C)n1c2ccc(O)cc2C(O)=O;Cc1ccc(n1c2ccc(cc2C(=O)O)O)C","InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)","","2020-11-02","2022-01-14","2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid","2022-01-19"],["WOW","2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile","C20 H22 Cl N3 O2 S","O=S(=O)(N3CCC(N(c1ccc(C#N)c(Cl)c1)Cc2ccccc2C)C3)C;Cc1ccccc1CN([CH]2CCN(C2)[S](C)(=O)=O)c3ccc(C#N)c(Cl)c3;Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)C3CCN(C3)S(=O)(=O)C","InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1","","2009-10-23","2011-06-04","2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile",""],["DNE","D-NORLEUCINE","C6 H13 N O2","O=C(O)C(N)CCCC;CCCC[CH](N)C(O)=O;CCCCC(C(=O)O)N","InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1","","2003-11-14","2024-09-27","D-norleucine",""],["DNF","2,4-DINITROPHENOL","C6 H4 N2 O5","O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O;Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O","InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H","","2002-02-22","2011-06-04","2,4-dinitrophenol",""],["WOX","(5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one","C19 H18 F2 N2 O2 S","Cc1ccsc1C2=NO[C]3(CCCN(Cc4c(F)cccc4F)C3=O)C2;Cc1ccsc1C2=NOC3(C2)CCCN(C3=O)Cc4c(cccc4F)F","InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1","","2023-10-10","2024-02-16","(5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one","2024-02-21"],["DNG","N-FORMYL-D-NORLEUCINE","C7 H13 N O3","O=CNC(C(=O)O)CCCC;CCCC[CH](NC=O)C(O)=O;CCCCC(C(=O)O)NC=O","InChI=1S/C7H13NO3/c1-2-3-4-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1","","2004-01-27","2024-09-27","N-formyl-D-norleucine",""],["WOY","6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine","C6 H7 N3","n2c1NCCc1cnc2;C1Cc2cncnc2N1;c1c2c(ncn1)NCC2","InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)","","2020-11-02","2021-01-08","6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine","2021-01-13"],["WOZ","(6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one","C27 H24 O7","Cc1cc(O)cc2OC3(C)Cc4cc5c(c(O)c4C(O3)c21)C(=O)c1c(cc(O)cc1O)C5(C)C;Cc1cc(O)cc2O[C]3(C)Cc4cc5c(c(O)c4[CH](O3)c12)C(=O)c6c(O)cc(O)cc6C5(C)C;Cc1cc(cc2c1C3c4c(cc5c(c4O)C(=O)c6c(cc(cc6O)O)C5(C)C)CC(O2)(O3)C)O","InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25-,27-/m0/s1","","2022-10-07","2024-04-05","(6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one","2024-04-10"],["DNH","1R,2R-DIAMINOCYCLOHEXANE","C6 H14 N2","NC1CCCCC1N;N[CH]1CCCC[CH]1N;C1CCC(C(C1)N)N","InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1","","2001-04-30","2011-06-04","(1R,2R)-cyclohexane-1,2-diamine",""],["WP0","(1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","C19 H23 N3 O4 S","O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1;Cc1noc(n1)c2c(NC(=O)[CH]3CCCC[CH]3C(O)=O)sc4CCCCc24;Cc1nc(on1)c2c3c(sc2NC(=O)C4CCCCC4C(=O)O)CCCC3","InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m1/s1","","2023-05-15","2023-06-09","(1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid","2023-06-14"],["DNI","Opicapone","C15 H10 Cl2 N4 O6","Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1c2noc(n2)c3cc(O)c(O)c(c3)[N+]([O-])=O;Cc1c(c([n+](c(c1Cl)C)[O-])Cl)c2nc(on2)c3cc(c(c(c3)O)O)[N+](=O)[O-]","InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3","5-[3-[2,5-bis(chloranyl)-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl]-1,2,4-oxadiazol-5-yl]-3-nitro-benzene-1,2-diol","2022-04-15","2023-09-15","5-[3-[2,5-bis(chloranyl)-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl]-1,2,4-oxadiazol-5-yl]-3-nitro-benzene-1,2-diol","2023-04-12"],["DNJ","1-DEOXY-NOJIRIMYCIN","C6 H13 N O4","OC1C(NCC(O)C1O)CO;OC[CH]1NC[CH](O)[CH](O)[CH]1O;C1C(C(C(C(N1)CO)O)O)O","InChI=1/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1","","1999-07-08","2008-10-14","(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol",""],["WP1","2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide","C11 H13 N O2","C1C(C)(C)Oc2c1cccc2C(N)=O;CC1(C)Cc2cccc(C(N)=O)c2O1;CC1(Cc2cccc(c2O1)C(=O)N)C","InChI=1S/C11H13NO2/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H2,12,13)","","2017-02-07","2017-02-17","2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide","2017-02-22"],["DNK","(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","C22 H25 N O3","CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccccc4;CC(C)C(c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3","InChI=1S/C22H25NO3/c1-16(2)20(17-8-4-3-5-9-17)21(24)23-14-12-22(13-15-23)25-18-10-6-7-11-19(18)26-22/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1","","2018-01-24","2018-03-29","(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","2018-04-04"],["WP2","(5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one","C18 H16 F2 N2 O2 S","Cc1ccsc1C2=NO[C]3(CCN(Cc4c(F)cccc4F)C3=O)C2;Cc1ccsc1C2=NOC3(C2)CCN(C3=O)Cc4c(cccc4F)F","InChI=1S/C18H16F2N2O2S/c1-11-5-8-25-16(11)15-9-18(24-21-15)6-7-22(17(18)23)10-12-13(19)3-2-4-14(12)20/h2-5,8H,6-7,9-10H2,1H3/t18-/m0/s1","","2023-10-10","2024-02-16","(5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one","2024-02-21"],["WP3","N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide","C20 H18 F N7 O2","O=C(c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1cccc(F)c1)N(C)C;CN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3n2)c4cccc(F)c4;Cn1c(c(cn1)C(=O)N(C)C)C(=O)Nc2ccn3cc(nc3n2)c4cccc(c4)F","InChI=1S/C20H18FN7O2/c1-26(2)19(30)14-10-22-27(3)17(14)18(29)24-16-7-8-28-11-15(23-20(28)25-16)12-5-4-6-13(21)9-12/h4-11H,1-3H3,(H,23,24,25,29)","","2022-10-10","2022-10-14","N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide","2022-10-19"],["DNL","6-AMINO-HEXANAL","C6 H13 N O","O=CCCCCCN;NCCCCCC=O;C(CCC=O)CCN","InChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h6H,1-5,7H2","ALPHA-DEAMINO-LYSINAL","2001-09-05","2020-06-17","6-aminohexanal",""],["WP4","(3R)-N-benzylpyrrolidin-3-amine","C11 H16 N2","c1cc(ccc1)CNC2CCNC2;C1C[CH](CN1)NCc2ccccc2;c1ccc(cc1)CNC2CCNC2","InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1","","2020-11-02","2020-11-06","(3R)-N-benzylpyrrolidin-3-amine","2020-11-11"],["DNM","N-methyl-D-norleucine","C7 H15 N O2","C(C(NC)CCCC)(=O)O;CCCC[CH](NC)C(O)=O;CCCCC(C(=O)O)NC","InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1","","2003-11-17","2024-09-27","N-methyl-D-norleucine",""],["WP5","METHYL [(4S)-6-BROMO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ACETATE","C18 H17 Br N2 O2","Brc2ccc1N=C(N(C(c1c2)c3ccccc3)CC(=O)OC)C;COC(=O)CN1[CH](c2ccccc2)c3cc(Br)ccc3N=C1C;CC1=Nc2ccc(cc2C(N1CC(=O)OC)c3ccccc3)Br","InChI=1S/C18H17BrN2O2/c1-12-20-16-9-8-14(19)10-15(16)18(13-6-4-3-5-7-13)21(12)11-17(22)23-2/h3-10,18H,11H2,1-2H3/t18-/m0/s1","","2009-08-03","2011-06-04","methyl [(4S)-6-bromo-2-methyl-4-phenylquinazolin-3(4H)-yl]acetate",""],["DNN","7,8-DIAMINO-NONANOIC ACID","C9 H20 N2 O2","O=C(O)CCCCCC(N)C(N)C;C[CH](N)[CH](N)CCCCCC(O)=O;CC(C(CCCCCC(=O)O)N)N","InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1","","1999-07-08","2011-06-04","(7R,8S)-7,8-diaminononanoic acid",""],["WP6","(4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE","C22 H19 Cl N2","Clc2ccc1N=C(N(C(c1c2)c3ccccc3)Cc4ccccc4)C;CC1=Nc2ccc(Cl)cc2[CH](N1Cc3ccccc3)c4ccccc4;CC1=Nc2ccc(cc2C(N1Cc3ccccc3)c4ccccc4)Cl","InChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3/t22-/m0/s1","","2009-08-03","2011-06-04","(4S)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline",""],["DNO","D-mannose","C6 H12 O6","O=CC(O)C(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)C=O;C(C(C(C(C(C=O)O)O)O)O)O","InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1","","2007-11-19","2020-06-24","D-mannose",""],["WP7","(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE","C26 H27 Cl N4 O2","O=C(N4CCN(CCN3C(=Nc1ccc(Cl)cc1C3c2ccccc2)C)CC4)c5occc5;CC1=Nc2ccc(Cl)cc2[CH](N1CCN3CCN(CC3)C(=O)c4occc4)c5ccccc5;CC1=Nc2ccc(cc2C(N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl","InChI=1S/C26H27ClN4O2/c1-19-28-23-10-9-21(27)18-22(23)25(20-6-3-2-4-7-20)31(19)16-13-29-11-14-30(15-12-29)26(32)24-8-5-17-33-24/h2-10,17-18,25H,11-16H2,1H3/t25-/m0/s1","","2009-08-05","2011-06-04","(4S)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline",""],["DNP","3-AMINO-ALANINE","C3 H9 N2 O2","O=C(O)C(N)C[NH3+];N[CH](C[NH3+])C(O)=O;C(C(C(=O)O)N)[NH3+]","InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+1/t2-/m0/s1","","1999-07-08","2024-09-27","3-ammonio-L-alanine",""],["WP8","4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide","C12 H14 Cl N3 O2 S","O=S(=O)(Nc1ccnn1C)c1cc(C)c(Cl)cc1C;Cn1nccc1N[S](=O)(=O)c2cc(C)c(Cl)cc2C;Cc1cc(c(cc1Cl)C)S(=O)(=O)Nc2ccnn2C","InChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3","","2023-05-15","2023-06-09","4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide","2023-06-14"],["DNQ","6,7-DINITROQUINOXALINE-2,3-DIONE","C8 H2 N4 O6","[O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O;[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1[N+]([O-])=O;C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H","DNQX","2000-09-27","2021-03-01","6,7-dinitroquinoxaline-2,3-dione",""],["WP9","~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate","C21 H33 N4 O9 P S","CC(C)(CO[P](O)(=O)OC[CH](N)C=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N;CC(C)(COP(=O)(O)OCC(C=O)N)C(C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N)O","InChI=1S/C21H33N4O9PS/c1-21(2,13-34-35(31,32)33-12-14(22)11-26)18(28)19(29)25-8-7-17(27)24-9-10-36-20(30)15-5-3-4-6-16(15)23/h3-6,11,14,18,28H,7-10,12-13,22-23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t14-,18+/m1/s1","","2023-10-10","2024-09-27","~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate","2024-06-26"],["DNR","2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE","C9 H15 N3 O7 P","O=C1[NH+]=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O;NC1=[NH+]C(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O","InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p+1/t5-,6+,8+/m0/s1","","2002-04-04","2011-06-04","2'-deoxy-5'-cytidylic acid",""],["DNS","N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE","C18 H25 N3 O4 S","O=C(O)C(N)CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[CH](N)C(O)=O;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(C(=O)O)N","InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1","DANSYLLYSINE; DNS-LYSINE; N(EPSILON)-DANSYL-L-LYSINE","2005-02-22","2024-09-27","N~6~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-lysine",""],["WPA","(betaR)-beta-methoxy-L-phenylalanine","C10 H13 N O3","O=C(O)C(N)C(OC)c1ccccc1;CO[CH]([CH](N)C(O)=O)c1ccccc1;COC(c1ccccc1)C(C(=O)O)N","InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1","","2013-06-18","2024-09-27","(betaR)-beta-methoxy-L-phenylalanine","2013-09-18"],["DNT","2-[1-METHYLHEXYL]-4,6-DINITROPHENOL","C13 H18 N2 O5","[O-][N+](=O)c1cc(cc(c1O)C(CCCCC)C)[N+]([O-])=O;CCCCC[CH](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O;CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3","","2003-02-10","2011-06-04","2-[(1S)-1-methylhexyl]-4,6-dinitrophenol",""],["VU6","(7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile","C24 H27 N7 O S","C[CH]1CNCCN1c2nccc(n2)c3noc4c3CCC[C]45CCCc6sc(N)c(C#N)c56;CC1CNCCN1c2nccc(n2)c3c4c(on3)C5(CCC4)CCCc6c5c(c(s6)N)C#N","InChI=1S/C24H27N7OS/c1-14-13-27-10-11-31(14)23-28-9-6-17(29-23)20-15-4-2-7-24(21(15)32-30-20)8-3-5-18-19(24)16(12-25)22(26)33-18/h6,9,14,27H,2-5,7-8,10-11,13,26H2,1H3/t14-,24-/m0/s1","","2023-04-04","2023-06-02","(7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile","2023-06-07"],["VU7","6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide","C24 H18 F2 N2 O2","CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4;CONC(=O)c1c(C)c(nc2ccc(F)cc12)c3ccc(cc3)c4ccccc4F;Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC","InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)","","2020-09-15","2020-10-16","6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide","2020-10-21"],["DNU","1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one","C34 H33 F3 N6 O3","OCCC(=O)N1CCN(CC1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(ncc25)c6cccc7ccc(F)c(C#C)c67;C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CC(C6)F)N7CCN(CC7)C(=O)CCO)F)F","InChI=1S/C34H33F3N6O3/c1-2-23-26(36)8-7-21-5-3-6-24(28(21)23)30-29(37)31-25(18-38-30)32(42-14-12-41(13-15-42)27(45)9-16-44)40-33(39-31)46-20-34-10-4-11-43(34)19-22(35)17-34/h1,3,5-8,18,22,44H,4,9-17,19-20H2/t22-,34+/m1/s1","","2023-06-02","2024-01-26","1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one","2024-01-31"],["DNV","2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C21 H19 Cl N4 O3","C(OC(c1c(cccc1)Cl)c2cc3c(n2)c(C(=O)O)ccn3)Cc4nccn4C;Cn1ccnc1CCO[CH](c2[nH]c3c(c2)nccc3C(O)=O)c4ccccc4Cl;Cn1ccnc1CCOC(c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O","InChI=1S/C21H19ClN4O3/c1-26-10-9-24-18(26)7-11-29-20(13-4-2-3-5-15(13)22)17-12-16-19(25-17)14(21(27)28)6-8-23-16/h2-6,8-10,12,20,25H,7,11H2,1H3,(H,27,28)/t20-/m0/s1","","2017-10-31","2018-03-23","2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["VU8","N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide","C19 H16 Cl2 N2 O3","Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cc(C#N)cc(Cl)c2)cc1;CN(CCOc1cc(Cl)ccc1Oc2cc(Cl)cc(c2)C#N)C(=O)C=C;CN(CCOc1cc(ccc1Oc2cc(cc(c2)Cl)C#N)Cl)C(=O)C=C","InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-18-11-14(20)4-5-17(18)26-16-9-13(12-22)8-15(21)10-16/h3-5,8-11H,1,6-7H2,2H3","","2023-09-18","2023-11-03","N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide","2023-11-08"],["DNW","3-[(2,4-dinitrophenyl)amino]-L-alanine","C9 H10 N4 O6","O=C(O)C(N)CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O;N[CH](CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O;c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC(C(=O)O)N","InChI=1S/C9H10N4O6/c10-6(9(14)15)4-11-7-2-1-5(12(16)17)3-8(7)13(18)19/h1-3,6,11H,4,10H2,(H,14,15)/t6-/m0/s1","","2013-05-07","2024-09-27","3-[(2,4-dinitrophenyl)amino]-L-alanine","2014-03-12"],["VU9","1-phenylpiperazine","C10 H14 N2","c1cc(ccc1)N1CCNCC1;C1CN(CCN1)c2ccccc2;c1ccc(cc1)N2CCNCC2","InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2","","2022-09-02","2022-10-28","1-phenylpiperazine","2022-11-02"],["VUA","4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine","C18 H24 N4","n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3;CC1CCN(CC1)c2ccnc(NCCc3ccccc3)n2;CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3","InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)","","2020-09-15","2021-01-08","4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine","2021-01-13"],["DNX","3,4-dinitrophenol","C6 H4 N2 O5","O=[N+]([O-])c1c(ccc(O)c1)[N+]([O-])=O;Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O;c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-]","InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H","","2012-03-09","2013-03-01","3,4-dinitrophenol","2013-03-06"],["VUB","2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid","C17 H21 N3 O4","CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c(O)n1CC(O)=O;CC(C)CC(=N)c1nc(c(n1CC(=O)O)O)Cc2ccc(cc2)O","InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,10,18,21,24H,7-9H2,1-2H3,(H,22,23)/b18-13-","","2023-04-05","2024-09-27","2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid","2023-04-12"],["DNY","2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C23 H26 Cl N3 O3","C(OC(c1c(cccc1)Cl)c3cc2c(c(C(=O)O)ccn2)n3)CCN4CCCCC4;OC(=O)c1ccnc2cc([nH]c12)[CH](OCCCN3CCCCC3)c4ccccc4Cl;c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl","InChI=1S/C23H26ClN3O3/c24-18-8-3-2-7-16(18)22(30-14-6-13-27-11-4-1-5-12-27)20-15-19-21(26-20)17(23(28)29)9-10-25-19/h2-3,7-10,15,22,26H,1,4-6,11-14H2,(H,28,29)/t22-/m0/s1","","2017-10-31","2018-03-23","2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["DNZ","(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","C21 H23 Cl N2 O3","C[CH](N)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4;CC(C(c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N","InChI=1S/C21H23ClN2O3/c1-14(23)19(15-6-8-16(22)9-7-15)20(25)24-12-10-21(11-13-24)26-17-4-2-3-5-18(17)27-21/h2-9,14,19H,10-13,23H2,1H3/t14-,19-/m0/s1","","2018-01-24","2018-03-29","(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","2018-04-04"],["VUC","melphalan","C13 H18 Cl2 N2 O2","N[CH](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O;c1cc(ccc1CC(C(=O)O)N)N(CCCl)CCCl","InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1","(2~{S})-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid","2023-08-18","2025-11-12","(2~{S})-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid","2025-02-12"],["VUD","6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one","C19 H16 F N5 O2","C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4;C[CH](Oc1cc2cc(F)ccc2nc1N)C3=C(C=CC(=O)N3)n4cccn4;CC(C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F","InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1","","2020-09-15","2021-01-08","6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one","2021-01-13"],["DO0","4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","C14 H12 N2 O5","O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O;C[C]1(CCC(=O)NC1=O)N2C(=O)c3cccc(O)c3C2=O;CC1(CCC(=O)NC1=O)N2C(=O)c3cccc(c3C2=O)O","InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1","","2021-11-30","2022-12-09","4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","2022-12-14"],["VUE","2-(4-chloro-2-nitroanilino)ethan-1-ol","C8 H9 Cl N2 O3","Clc1cc(c(NCCO)cc1)[N+]([O-])=O;OCCNc1ccc(Cl)cc1[N+]([O-])=O;c1cc(c(cc1Cl)[N+](=O)[O-])NCCO","InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2","","2022-09-02","2026-04-06","2-(4-chloro-2-nitroanilino)ethan-1-ol","2022-11-02"],["DO1","2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C22 H24 Cl N3 O3","c1cc(c(cc1)Cl)C(c3cc2c(c(C(=O)O)ccn2)n3)OCCN4CCCCC4;OC(=O)c1ccnc2cc([nH]c12)[CH](OCCN3CCCCC3)c4ccccc4Cl;c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl","InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m1/s1","","2017-10-31","2018-03-23","2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["DO2","5,5-dihydroxy-6-oxo-L-norleucine","C6 H11 N O5","O=CC(O)(O)CCC(N)C(=O)O;N[CH](CCC(O)(O)C=O)C(O)=O;C(CC(C=O)(O)O)C(C(=O)O)N","InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1","","2000-01-07","2024-09-27","5,5-dihydroxy-6-oxo-L-norleucine",""],["VUF","1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone","C28 H35 Cl N6 O","CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)cc5;CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCCC4)c5ccc(cc5)Cl","InChI=1S/C28H35ClN6O/c1-20(36)34-15-17-35(18-16-34)23-9-10-24-25(19-23)32-27(33-26(24)31-14-13-30)28(11-3-2-4-12-28)21-5-7-22(29)8-6-21/h5-10,19H,2-4,11-18,30H2,1H3,(H,31,32,33)","","2023-04-05","2023-05-19","1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone","2023-05-24"],["DO3","10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID","C17 H32 N4 O7","O=C(O)CN1CCN(CCN(CCN(CC(O)C)CC1)CC(=O)O)CC(=O)O;C[CH](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O;CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O","InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1","","2001-01-29","2011-06-04","2,2',2''-{10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetic acid",""],["VUG","1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine","C22 H29 N3","c4cc(N1CCN(CC1)C3CCC(c2cccc(C)c2)CC3)cnc4;Cc1cccc(c1)[CH]2CC[CH](CC2)N3CCN(CC3)c4cccnc4;Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4","InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+","","2020-09-16","2020-12-04","1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine","2020-12-09"],["VUI","4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene","C9 H10 Br N O4","Brc1cc(c(OCCOC)cc1)[N+]([O-])=O;COCCOc1ccc(Br)cc1[N+]([O-])=O;COCCOc1ccc(cc1[N+](=O)[O-])Br","InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3","","2022-09-02","2026-04-06","4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene","2022-11-02"],["DO4","2,5-DIOXOPENTANOIC ACID","C5 H6 O4","O=CCCC(=O)C(=O)O;OC(=O)C(=O)CCC=O;C(CC(=O)C(=O)O)C=O","InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)","","2007-06-06","2011-06-04","2,5-dioxopentanoic acid",""],["VUJ","5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one","C23 H29 N3 O","C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O;Cc1cccc(c1)[CH]2CC[CH](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4;Cc1cccc(c1)C2CCC(C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4","InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1","","2020-09-16","2020-12-04","5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one","2020-12-09"],["DO5","(2~{R},3~{R})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","C21 H22 Cl N O4","C[CH](O)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4;CC(C(c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O","InChI=1S/C21H22ClNO4/c1-14(24)19(15-6-8-16(22)9-7-15)20(25)23-12-10-21(11-13-23)26-17-4-2-3-5-18(17)27-21/h2-9,14,19,24H,10-13H2,1H3/t14-,19+/m1/s1","","2018-01-24","2018-03-29","(2~{R},3~{R})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","2018-04-04"],["DO6","(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone","C20 H20 O7","COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O;Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC","InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3","","2019-08-16","2020-08-14","(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone","2020-08-19"],["VUK","[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(E)-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate","C46 H58 N2 O12","CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCc4ccc(cc4)N=Nc5ccccc5)C;CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCCc4ccc(cc4)N=Nc5ccccc5)(C(C(=O)O3)(C)O)O","InChI=1S/C46H58N2O12/c1-8-10-11-12-16-21-36(51)57-40-38-37(29(4)39(40)58-42(52)28(3)9-2)41-46(55,45(7,54)43(53)59-41)34(27-44(38,6)60-30(5)49)56-35(50)22-17-18-31-23-25-33(26-24-31)48-47-32-19-14-13-15-20-32/h9,13-15,19-20,23-26,34,38-41,54-55H,8,10-12,16-18,21-22,27H2,1-7H3/b28-9-,48-47+/t34-,38+,39-,40-,41-,44-,45+,46+/m0/s1","photoswitch-thapsigargin derivative AzTG-4","2023-04-05","2023-06-16","[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(~{E})-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate","2023-06-21"],["DO7","[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","C7 H14 O8 S","CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O","InChI=1S/C7H14O8S/c1-14-7-6(10)5(9)4(8)3(15-7)2-16(11,12)13/h3-10H,2H2,1H3,(H,11,12,13)/t3-,4-,5+,6-,7+/m1/s1","Methylsulfoquinovoside","2021-12-15","2022-08-22","[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid","2022-04-13"],["VUL","[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate","C20 H32 N6 O7 S","CCCCCCCCCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCCCCCCC(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1","","2023-08-18","2024-07-05","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-decanoylsulfamate","2024-07-10"],["VUM","5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one","C23 H28 F3 N3 O2","C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O;O[C]1(CC[CH](CC1)N2CCN(CC2)CC3=CNC(=O)C=C3)c4cccc(c4)C(F)(F)F;c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O","InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22-","","2020-09-16","2020-12-04","5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one","2020-12-09"],["DO8","3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid","C8 H15 O11 P","O=P(O)(O)OCC(O)C1OC(O)(C(=O)O)CC(O)C1O;O[CH](CO[P](O)(O)=O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(OC1(C(=O)O)O)C(COP(=O)(O)O)O)O)O","InChI=1S/C8H15O11P/c9-3-1-8(14,7(12)13)19-6(5(3)11)4(10)2-18-20(15,16)17/h3-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/t3-,4-,5-,6-,8-/m1/s1","3-DEOXY-D-MANNO-2-OCTULOSONATE-8-PHOSPHATE; 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulosonic acid;\n3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid; 3-deoxy-8-O-phosphono-manno-oct-2-ulosonic acid","2004-08-18","2020-07-17","3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid",""],["DO9","1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea","C19 H15 N5 S2","S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N;c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4","InChI=1S/C19H15N5S2/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)","","2019-08-20","2020-03-20","1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea","2020-03-25"],["VUN","4-{[(propan-2-yl)oxy]methyl}benzoic acid","C11 H14 O3","O=C(O)c1ccc(COC(C)C)cc1;CC(C)OCc1ccc(cc1)C(O)=O;CC(C)OCc1ccc(cc1)C(=O)O","InChI=1S/C11H14O3/c1-8(2)14-7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)","","2022-09-02","2022-10-28","4-{[(propan-2-yl)oxy]methyl}benzoic acid","2022-11-02"],["DOA","12-AMINO-DODECANOIC ACID","C12 H25 N O2","O=C(O)CCCCCCCCCCCN;NCCCCCCCCCCCC(O)=O;C(CCCCCC(=O)O)CCCCCN","InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)","","2000-03-31","2024-09-27","12-aminododecanoic acid",""],["VUO","6-oxidanyl-1,3-benzoxathiol-2-one","C7 H4 O3 S","Oc1ccc2SC(=O)Oc2c1;c1cc2c(cc1O)OC(=O)S2","InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H","","2023-04-05","2023-07-07","6-oxidanyl-1,3-benzoxathiol-2-one","2023-07-12"],["VUP","4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine","C11 H12 N6 O","n1onc(N)c1c2nc3c(n2CC)cc(nc3)C;CCn1c2cc(C)ncc2nc1c3nonc3N;CCn1c2cc(ncc2nc1c3c(non3)N)C","InChI=1S/C11H12N6O/c1-3-17-8-4-6(2)13-5-7(8)14-11(17)9-10(12)16-18-15-9/h4-5H,3H2,1-2H3,(H2,12,16)","","2013-08-21","2014-09-05","4-(1-ethyl-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine","2013-10-09"],["DOB","2,4-DIHYDROXYBENZOIC ACID","C7 H6 O4","O=C(O)c1ccc(O)cc1O;OC(=O)c1ccc(O)cc1O;c1cc(c(cc1O)O)C(=O)O","InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)","","1999-07-08","2011-06-04","2,4-dihydroxybenzoic acid",""],["VUR","(S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID","C7 H15 N3 O2 S","O=C(O)C(N)CCCNC(=[N@H])CS;N[CH](CCCNC(=N)CS)C(O)=O;C(CC(C(=O)O)N)CNC(=N)CS","InChI=1S/C7H15N3O2S/c8-5(7(11)12)2-1-3-10-6(9)4-13/h5,13H,1-4,8H2,(H2,9,10)(H,11,12)/t5-/m0/s1","","2015-02-03","2015-04-24","N~5~-[(1E)-2-sulfanylethanimidoyl]-L-ornithine","2015-04-29"],["DOC","2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE","C9 H14 N3 O6 P","O=C1N=C(N)C=CN1C2OC(CC2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(O)=O)O2;C1CC(OC1COP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1","","1999-07-08","2011-06-04","[(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate",""],["DOD","DEUTERATED WATER","D2 O","[2H]O[2H];O([2H])[2H];[2H]O[2H]","InChI=1S/H2O/h1H2/i/hD2","","1999-07-08","2024-09-27","oxidane",""],["VUS","3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C10 H20 B N2 O5","O=C(O)C1NCC2NCCC12CCC[B-](O)(O)O;OC(=O)[CH]1NC[CH]2NCC[C]12CCC[B-](O)(O)O;[B-](CCCC12CCNC1CNC2C(=O)O)(O)(O)O","InChI=1S/C10H20BN2O5/c14-9(15)8-10(2-1-4-11(16,17)18)3-5-12-7(10)6-13-8/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10-/m0/s1","","2020-09-16","2021-12-01","{3-[(3aS,4S,6aR)-4-carboxyhexahydropyrrolo[3,4-b]pyrrol-3a(1H)-yl]propyl}(trihydroxido)borate(1-)","2021-12-01"],["DOE","(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE","C27 H41 N5 O10 S","O=C(Nc1ccc(cc1)CC2N(CCN(CCN(CCN(CC(=O)O)C2)CC(=O)O)CC(=O)O)CC(=O)O)CSCCO;OCCSCC(=O)Nc1ccc(C[CH]2CN(CCN(CCN(CCN2CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1;c1cc(ccc1CC2CN(CCN(CCN(CCN2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO","InChI=1S/C27H41N5O10S/c33-11-12-43-19-23(34)28-21-3-1-20(2-4-21)13-22-14-31(17-26(39)40)8-7-29(15-24(35)36)5-6-30(16-25(37)38)9-10-32(22)18-27(41)42/h1-4,22,33H,5-19H2,(H,28,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/t22-/m0/s1","","2002-12-12","2011-06-04","2,2',2'',2'''-{(2S)-2-[4-({[(2-hydroxyethyl)sulfanyl]acetyl}amino)benzyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl}tetraacetic acid",""],["VUT","5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide","C13 H8 Cl2 N2 O4","Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O;Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl","InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)","Niclosamide","2023-09-19","2023-10-27","5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide","2023-11-01"],["DOF","(S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE","C23 H33 N5 O10","[O-][N+](=O)c1ccc(cc1)CC2N(CCN(CCN(CCN(CC(=O)O)C2)CC(=O)O)CC(=O)O)CC(=O)O;OC(=O)CN1CCN(CCN(CC(O)=O)[CH](CN(CC1)CC(O)=O)Cc2ccc(cc2)[N+]([O-])=O)CC(O)=O;c1cc(ccc1CC2CN(CCN(CCN(CCN2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-]","InChI=1S/C23H33N5O10/c29-20(30)13-24-5-6-25(14-21(31)32)9-10-27(16-23(35)36)19(12-26(8-7-24)15-22(33)34)11-17-1-3-18(4-2-17)28(37)38/h1-4,19H,5-16H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t19-/m0/s1","","2002-12-12","2011-06-04","2,2',2'',2'''-[(2S)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl]tetraacetic acid",""],["VUU","N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine","C10 H15 N3 S","N=C(NCCc1cccs1)NC1CC1;N=C(NCCc1sccc1)NC2CC2;c1cc(sc1)CCNC(=N)NC2CC2","InChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13)","","2022-09-02","2022-10-28","N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine","2022-11-02"],["VUV","3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C8 H17 B N O5","O=C(O)C1NCCC1CCC[B-](O)(O)O;OC(=O)[CH]1NCC[CH]1CCC[B-](O)(O)O;[B-](CCCC1CCNC1C(=O)O)(O)(O)O","InChI=1S/C8H17BNO5/c11-8(12)7-6(3-5-10-7)2-1-4-9(13,14)15/h6-7,10,13-15H,1-5H2,(H,11,12)/q-1/t6-,7+/m1/s1","","2020-09-16","2021-12-01","{3-[(2S,3R)-2-carboxypyrrolidin-3-yl]propyl}(trihydroxido)borate(1-)","2021-12-01"],["DOG","DIGOXIGENIN","C23 H34 O5","O=C1OCC(=C1)C5C4(C(O)CC3C(CCC2CC(O)CCC23C)C4(O)CC5)C;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2C[CH](O)[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5;CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O","InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1","4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE","2002-05-06","2020-06-17","(3alpha,5beta,8alpha,12beta)-3,12,14-trihydroxycard-20(22)-enolide",""],["VUY","3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C9 H17 B N O5 S","O=C(O)C1NCC2SCC12CCC[B-](O)(O)O;OC(=O)[CH]1NC[CH]2SC[C]12CCC[B-](O)(O)O;[B-](CCCC12CSC1CNC2C(=O)O)(O)(O)O","InChI=1S/C9H17BNO5S/c12-8(13)7-9(2-1-3-10(14,15)16)5-17-6(9)4-11-7/h6-7,11,14-16H,1-5H2,(H,12,13)/q-1/t6-,7+,9-/m0/s1","","2020-09-16","2021-12-01","{3-[(1S,2S,5R)-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl}(trihydroxido)borate(1-)","2021-10-06"],["DOH","BETA-HYDROXY ASPARTIC ACID","C4 H7 N O5","O=C(O)C(N)C(O)C(=O)O;N[CH]([CH](O)C(O)=O)C(O)=O;C(C(C(=O)O)O)(C(=O)O)N","InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1/f/h7,9H","","1999-07-08","2009-01-07","(3S)-3-hydroxy-L-aspartic acid",""],["VUZ","~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide","C22 H20 Cl N7 O","CCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c4cc(Cl)ccc4n2)cn1;CCn1cc(cn1)Nc2nc3ccc(cc3c(n2)Nc4cccc(c4)NC(=O)C=C)Cl","InChI=1S/C22H20ClN7O/c1-3-20(31)25-15-6-5-7-16(11-15)26-21-18-10-14(23)8-9-19(18)28-22(29-21)27-17-12-24-30(4-2)13-17/h3,5-13H,1,4H2,2H3,(H,25,31)(H2,26,27,28,29)","","2023-08-21","2024-09-27","~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide","2024-08-21"],["DOI","9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE","C10 H14 N4 O10 P2","O=P(O)(O)Oc3ncnc1c3ncn1C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(O[P](O)(O)=O)ncnc23;c1nc2c(c(n1)OP(=O)(O)O)ncn2C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C10H14N4O10P2/c15-5-1-7(23-6(5)2-22-25(16,17)18)14-4-13-8-9(14)11-3-12-10(8)24-26(19,20)21/h3-7,15H,1-2H2,(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1","2'-DEOXY-IMP","2006-03-16","2021-03-01","9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(phosphonooxy)-9H-purine",""],["VV0","4-amino-3-methyl-N-(propan-2-yl)benzamide","C11 H16 N2 O","Cc1cc(ccc1N)C(=O)NC(C)C;CC(C)NC(=O)c1ccc(N)c(C)c1;Cc1cc(ccc1N)C(=O)NC(C)C","InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-4-5-10(12)8(3)6-9/h4-7H,12H2,1-3H3,(H,13,14)","","2022-09-02","2022-10-28","4-amino-3-methyl-N-(propan-2-yl)benzamide","2022-11-02"],["DOJ","N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea","C22 H26 F3 N3 O3","FC(F)(F)c1cccc(c1)NC(=O)NC2C(OC(O)C)CN(CC2)Cc3ccccc3;C[CH](O)O[CH]1CN(CC[CH]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3;CC(O)OC1CN(CCC1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3","InChI=1S/C22H26F3N3O3/c1-15(29)31-20-14-28(13-16-6-3-2-4-7-16)11-10-19(20)27-21(30)26-18-9-5-8-17(12-18)22(23,24)25/h2-9,12,15,19-20,29H,10-11,13-14H2,1H3,(H2,26,27,30)/t15-,19-,20-/m0/s1","","2017-11-01","2018-09-21","N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea","2018-09-26"],["VV1","3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C9 H18 B N2 O5","O=C(O)C1NCC2NCC12CCC[B-](O)(O)O;OC(=O)[CH]1NC[CH]2NC[C]12CCC[B-](O)(O)O;[B-](CCCC12CNC1CNC2C(=O)O)(O)(O)O","InChI=1S/C9H18BN2O5/c13-8(14)7-9(2-1-3-10(15,16)17)5-12-6(9)4-11-7/h6-7,11-12,15-17H,1-5H2,(H,13,14)/q-1/t6-,7+,9-/m0/s1","","2020-09-16","2021-12-01","{3-[(1S,2S,5R)-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl}(trihydroxido)borate(1-)","2021-12-01"],["DOK","(2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","C22 H24 Cl N O3","CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4;CC(C)C(c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3","InChI=1S/C22H24ClNO3/c1-15(2)20(16-7-9-17(23)10-8-16)21(25)24-13-11-22(12-14-24)26-18-5-3-4-6-19(18)27-22/h3-10,15,20H,11-14H2,1-2H3/t20-/m0/s1","","2018-01-24","2018-03-29","(2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one","2018-04-04"],["VV2","Fe-S cluster","Fe4 S3","S1[Fe][S]2([Fe]1)[Fe]S[Fe]2;[S]12[Fe]S34[Fe]1[S]([Fe]23)[Fe]4","InChI=1S/4Fe.3S","","2023-04-05","2023-12-01","","2023-12-06"],["DOL","5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE","C34 H50 N4 O9 S","O=S(=O)(CCN(CC)CC)C3CCN2C(=O)c1nc(oc1)CC(=O)CC(O)C=C(C=CCNC(=O)C=CC(C)C(OC(=O)C23)C(C)C)C;CCN(CC)CC[S](=O)(=O)[CH]1CCN2[CH]1C(=O)O[CH](C(C)C)[CH](C)C=CC(=O)NCC=CC(=C[CH](O)CC(=O)Cc3occ(n3)C2=O)C;CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(CC(=O)Cc3nc(co3)C2=O)O)C)C)C(C)C","InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1","DALFOPRISTIN","2002-09-26","2021-03-01","(3R,4R,5E,10E,12E,14S,26R,26aS)-26-{[2-(diethylamino)ethyl]sulfonyl}-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone",""],["VV3","(9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one","C30 H31 F N4 O4","CN1C=CN(Cc2cc(c3OCCN(Cc4cc(OC)cc(OC)c4)C(=O)c3c2)c2ccc(F)cc2C)C1=N;COc1cc(CN2CCOc3c(cc(CN4C=CN(C)C4=N)cc3c5ccc(F)cc5C)C2=O)cc(OC)c1;Cc1cc(ccc1c2cc(cc3c2OCCN(C3=O)Cc4cc(cc(c4)OC)OC)CN5C=CN(C5=N)C)F","InChI=1S/C30H31FN4O4/c1-19-11-22(31)5-6-25(19)26-14-21(18-35-8-7-33(2)30(35)32)15-27-28(26)39-10-9-34(29(27)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-8,11-16,32H,9-10,17-18H2,1-4H3/b32-30+","","2023-09-19","2023-12-15","(9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one","2023-12-20"],["DOM","2'-DEOXYMALTOSE","C12 H22 O10","O(C1C(OC(O)CC1O)CO)C2OC(C(O)C(O)C2O)CO;OC[CH]1O[CH](O[CH]2[CH](O)C[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;C1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12-/m1/s1","","1999-07-08","2020-07-17","2-deoxy-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranose",""],["VV4","3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C10 H20 B N2 O5","O[B-](O)(O)CCCC1C2NCCC1(NC2)C(=O)O;OC(=O)[C]12CCN[CH](CN1)[CH]2CCC[B-](O)(O)O;[B-](CCCC1C2CNC1(CCN2)C(=O)O)(O)(O)O","InChI=1S/C10H20BN2O5/c14-9(15)10-3-5-12-8(6-13-10)7(10)2-1-4-11(16,17)18/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10+/m1/s1","","2020-09-16","2021-12-01","{3-[(1R,5S,8R)-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl}(trihydroxido)borate(1-)","2021-12-01"],["DON","6-DIAZENYL-5-OXO-L-NORLEUCINE","C6 H11 N3 O3","O=C(O)C(N)CCC(=O)CN=[N@H];N[CH](CCC(=O)CN=N)C(O)=O;C(CC(=O)CN=N)C(C(=O)O)N","InChI=1S/C6H11N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5,8H,1-3,7H2,(H,11,12)/t5-/m0/s1","(S)-2-AMINO-6-DIAZENYL-5-OXOHEXANOIC ACID","2007-02-08","2024-09-27","6-diazenyl-5-oxo-L-norleucine",""],["VV5","N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide","C12 H12 N2 O S","O=C(NCCc1cccs1)c1cccnc1;O=C(NCCc1sccc1)c2cccnc2;c1cc(cnc1)C(=O)NCCc2cccs2","InChI=1S/C12H12N2OS/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11/h1-4,6,8-9H,5,7H2,(H,14,15)","","2022-09-02","2022-10-28","N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide","2022-11-02"],["DOO","6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine","C22 H23 F N8 O","Fc4cc3c2c(nc(Oc1cnc(nc1)C)nc2nc3c(NC)c4)N6CC5CCNC5C6;CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6CCN[CH]6C5)c23;Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6CCNC6C5","InChI=1S/C22H23FN8O/c1-11-26-7-14(8-27-11)32-22-29-20-18(15-5-13(23)6-16(24-2)19(15)28-20)21(30-22)31-9-12-3-4-25-17(12)10-31/h5-8,12,17,24-25H,3-4,9-10H2,1-2H3,(H,28,29,30)/t12-,17+/m1/s1","","2013-04-23","2014-01-10","6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine","2014-01-15"],["DOP","DIOCTYLPHOSPHATE","C16 H35 O4 P","CCCCCCCCOP(O)(=O)OCCCCCCCC;CCCCCCCCOP(=O)(O)OCCCCCCCC","InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)","","1999-07-08","2011-06-04","dioctyl hydrogen phosphate",""],["VV6","[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium","H12 O17 V6","O[V](O)O[V](O)(O)O[V](O)(O)O.O[V](O[V]=O)O[V](O)(O)(O)O;O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O","InChI=1S/12H2O.5O.6V/h12*1H2;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;+1;2*+2;+3;+4/p-12","","2018-10-13","2019-03-29","[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium","2019-04-03"],["VV7","DENDRON-D3","C69 H77 N20 O39","[O][C][C]1O[C]([C]([O])[C]([O])[C]1[O])n2cc(OC[C](COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)(COCc5cn(nn5)[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)NC(=O)c7cc(CO)cc(c7)C(=O)N[C](COCc8cn(nn8)[C]9O[C]([C][O])[C]([O])[C]([O])[C]9[O])(COCc%10cn(nn%10)[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)OCc%12cn(nn%12)[CH]%13O[CH](CO)[CH](O)[CH](O)[CH]%13O)nn2;c1c(cc(cc1C(=O)NC(COCc2cn(nn2)C3C(C(C(C(O3)CO)O)O)O)(COCc4cn(nn4)C5C(C(C(C(O5)CO)O)O)O)COc6[c]n(nn6)[C]7[C]([C]([C]([C](O7)[C][O])[O])[O])[O])C(=O)NC(COCc8cn(nn8)C9C(C(C(C(O9)CO)O)O)O)(COCc1cn(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])OCc1cn(nn1)C1C(C(C(C(O1)CO)O)O)O)CO","InChI=1S/C69H100N20O39/c90-10-27-1-28(60(115)70-68(24-121-41-9-89(83-77-41)67-59(114)53(108)47(102)40(16-96)128-67,22-117-17-30-4-84(78-72-30)62-54(109)48(103)42(97)35(11-91)123-62)23-118-18-31-5-85(79-73-31)63-55(110)49(104)43(98)36(12-92)124-63)3-29(2-27)61(116)71-69(122-21-34-8-88(82-76-34)66-58(113)52(107)46(101)39(15-95)127-66,25-119-19-32-6-86(80-74-32)64-56(111)50(105)44(99)37(13-93)125-64)26-120-20-33-7-87(81-75-33)65-57(112)51(106)45(100)38(14-94)126-65/h1-9,35-40,42-59,62-67,90-114H,10-26H2,(H,70,115)(H,71,116)/t35-,36+,37-,38?,39+,40?,42-,43-,44-,45?,46-,47?,48+,49?,50+,51?,52?,53?,54-,55?,56-,57?,58?,59?,62-,63+,64-,65?,66+,67?,68+,69+/m0/s1","","2014-09-04","2019-10-17","","2014-11-12"],["DOQ","(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID","C15 H21 N O6","O=C(O)C(/C=C/C=C(C1C(C(C(=O)O)NC1)CC(=O)O)C)C;C[CH](C=CC=C(C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O)C(O)=O;CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O","InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1","(2S,3S,4S)-3-CARBOXYMETHYL-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-HEXA-1,3-DIENYL]-PYRROLIDINE-2-CARBOXYLIC ACID; DOMOIC\nACID","2005-01-14","2020-06-17","(3S,4S)-3-(carboxymethyl)-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dien-1-yl]-L-proline",""],["VV8","3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide","C16 H23 F3 N2 O4 S2","CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O;CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)NC2CCCCCCC2","InChI=1S/C16H23F3N2O4S2/c1-2-26(22,23)16-12(18)11(17)15(27(20,24)25)13(19)14(16)21-10-8-6-4-3-5-7-9-10/h10,21H,2-9H2,1H3,(H2,20,24,25)","","2023-04-05","2024-09-27","3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide","2024-04-10"],["DOR","(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID","C5 H6 N2 O4","O=C(O)C1NC(=O)NC(=O)C1;OC(=O)[CH]1CC(=O)NC(=O)N1;C1C(NC(=O)NC1=O)C(=O)O","InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1","DIHYDROOROTIC ACID","2005-02-01","2021-03-01","(4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid",""],["DOS","DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II)","C23 H19 N6 Os","n1ccn(c1)[Os+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67;[Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7;c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37","InChI=1S/2C10H8N2.C3H3N2.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3","","2001-10-03","2011-08-15","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)osmium(2+)",""],["VV9","(2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine","C16 H15 Br Cl N O3 S2","COc1ccc(cc1Br)[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3;COc1ccc(cc1Br)C2N(CCS2)S(=O)(=O)c3ccc(cc3)Cl","InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1","BMS-986122","2023-08-21","2024-05-24","(2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine","2024-05-29"],["VVA","2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate","C21 H44 N O6 P","O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O;CCCCCCCCCCCCCCCCC(=O)OCCO[P](O)(=O)OCCN;CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN","InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-19-20-28-29(24,25)27-18-17-22/h2-20,22H2,1H3,(H,24,25)","","2016-02-01","2016-03-04","2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate","2016-03-09"],["DOT","3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE","C17 H21 N6 O13 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3N;Nc1ccccc1C(=O)O[CH]2C[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34;c1ccc(c(c1)C(=O)OC2CC(OC2COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N","InChI=1S/C17H21N6O13P3/c18-10-4-2-1-3-9(10)17(24)34-11-5-13(23-8-22-14-15(19)20-7-21-16(14)23)33-12(11)6-32-38(28,29)36-39(30,31)35-37(25,26)27/h1-4,7-8,11-13H,5-6,18H2,(H,28,29)(H,30,31)(H2,19,20,21)(H2,25,26,27)/t11-,12+,13+/m0/s1","","2002-06-07","2012-01-05","3'-O-[(2-aminophenyl)carbonyl]-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)",""],["DOU","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","C11 H18 N5 O12 P3","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)","","2023-07-18","2024-07-19","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid","2024-07-24"],["VVB","bis(oxidanyl)vanadium","H2 O2 V","O[V]O;O[V]O","InChI=1S/2H2O.V/h2*1H2;/q;;+2/p-2","","2022-05-13","2022-11-18","bis(oxidanyl)vanadium","2022-11-23"],["VVC","4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one","C11 H13 N3 O4","NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[C](CO)(O2)C#C;C#CC1(C(CC(O1)N2C=CC(=NC2=O)N)O)CO","InChI=1S/C11H13N3O4/c1-2-11(6-15)7(16)5-9(18-11)14-4-3-8(12)13-10(14)17/h1,3-4,7,9,15-16H,5-6H2,(H2,12,13,17)/t7-,9+,11+/m0/s1","","2023-04-05","2023-12-15","4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one","2023-12-20"],["DOV","1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[D]imidazol-2-yl)quinolin-2(1H)-one","C21 H37 F N6 O","FC1CCCC2NC(=O)C(C(N)C12)C3NC5C(N3)CC(N4CCN(CC4)C)CC5;CN1CCN(CC1)[CH]2CC[CH]3N[CH](N[CH]3C2)[CH]4[CH](N)[CH]5[CH](F)CCC[CH]5NC4=O;CN1CCN(CC1)C2CCC3C(C2)NC(N3)C4C(C5C(CCCC5F)NC4=O)N","InChI=1S/C21H37FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h12-20,24-25H,2-11,23H2,1H3,(H,26,29)/t12-,13+,14-,15-,16-,17-,18+,19+,20-/m1/s1","","2014-08-15","2015-02-20","(3S,4R,4aS,5S,8aR)-4-amino-5-fluoro-3-[(2R,3aR,5R,7aR)-5-(4-methylpiperazin-1-yl)octahydro-1H-benzimidazol-2-yl]octahydroquinolin-2(1H)-one","2015-02-25"],["DOW","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside","C20 H36 N5 O11 P","OP(O)(=O)OCc1c(c(O)c(C)nc1)CNCC2C(O)C(C(C(O2)OC3C(C(C(CC3N)N)O)O)N)O;Cc1ncc(CO[P](O)(O)=O)c(CNC[CH]2O[CH](O[CH]3[CH](N)C[CH](N)[CH](O)[CH]3O)[CH](N)[CH](O)[CH]2O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNCC2C(C(C(C(O2)OC3C(CC(C(C3O)O)N)N)N)O)O)O","InChI=1S/C20H36N5O11P/c1-7-14(26)9(8(3-25-7)6-34-37(31,32)33)4-24-5-12-16(28)17(29)13(23)20(35-12)36-19-11(22)2-10(21)15(27)18(19)30/h3,10-13,15-20,24,26-30H,2,4-6,21-23H2,1H3,(H2,31,32,33)/t10-,11+,12-,13-,15+,16-,17-,18-,19-,20-/m1/s1","","2018-02-06","2018-02-16","(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside","2018-02-21"],["VVD","5-(acetylamino)-2-fluorobenzoic acid","C9 H8 F N O3","N(c1ccc(F)c(c1)C(=O)O)C(C)=O;CC(=O)Nc1ccc(F)c(c1)C(O)=O;CC(=O)Nc1ccc(c(c1)C(=O)O)F","InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)","","2020-09-17","2020-09-25","5-(acetylamino)-2-fluorobenzoic acid","2020-09-30"],["VVE","3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile","C25 H19 Cl2 N3 O4","N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O;CCC(=O)N1C(=O)N(CCOc2cc(Cl)ccc2Oc3cc(Cl)cc(c3)C#N)c4ccccc14;CCC(=O)N1c2ccccc2N(C1=O)CCOc3cc(ccc3Oc4cc(cc(c4)Cl)C#N)Cl","InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3","","2023-09-19","2023-11-03","3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile","2023-11-08"],["DOX","DIOXANE","C4 H8 O2","O1CCOCC1;C1COCCO1;C1COCCO1","InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2","","1999-07-08","2008-10-14","1,4-dioxane",""],["VVF","2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide","C10 H7 F3 N2 O","O=C(Nc1cc(ccc1)C(F)(F)F)CC#N;FC(F)(F)c1cccc(NC(=O)CC#N)c1;c1cc(cc(c1)NC(=O)CC#N)C(F)(F)F","InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16)","","2022-09-02","2022-10-28","2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide","2022-11-02"],["DOY","[(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid","C17 H15 N O3 S","O=C(O)CN2c3c(SC(c1ccccc1)CC2=O)cccc3;OC(=O)CN1C(=O)C[CH](Sc2ccccc12)c3ccccc3;c1ccc(cc1)C2CC(=O)N(c3ccccc3S2)CC(=O)O","InChI=1S/C17H15NO3S/c19-16-10-15(12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)18(16)11-17(20)21/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1","","2010-10-09","2011-08-19","[(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid",""],["DOZ","(dimethylamino)(hydroxy)zinc'","C2 H7 N O Zn","O[Zn]N(C)C;CN(C)[Zn]O;CN(C)[Zn]O","InChI=1S/C2H6N.H2O.Zn/c1-3-2;;/h1-2H3;1H2;/q-1;;+2/p-1","zinc hydroxide dimethylazanide","2007-10-03","2021-03-01","zinc hydroxide dimethylazanide",""],["VVG","N-(2-fluorophenyl)ethanesulfonamide","C8 H10 F N O2 S","N(c1ccccc1F)S(CC)(=O)=O;CC[S](=O)(=O)Nc1ccccc1F;CCS(=O)(=O)Nc1ccccc1F","InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3","","2020-09-17","2020-09-25","N-(2-fluorophenyl)ethanesulfonamide","2020-09-30"],["DP","[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N5 O7 P","NC1=NC(=O)N2C=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=N1;C1C(C(OC1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O","InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H2,11,13,17)(H2,18,19,20)/t5-,6+,7+/m0/s1","","2018-11-12","2019-06-07","[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2019-06-12"],["VVH","5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile","C32 H29 F2 N3 O5","OCCNCc1ccc(OCc2cccc(c3ccc4OCCOc4c3)c2C(F)F)cc1OCc5cncc(c5)C#N;c1cc(c(c(c1)c2ccc3c(c2)OCCO3)C(F)F)COc4ccc(c(c4)OCc5cc(cnc5)C#N)CNCCO","InChI=1S/C32H29F2N3O5/c33-32(34)31-25(2-1-3-27(31)23-5-7-28-30(13-23)40-11-10-39-28)20-41-26-6-4-24(18-36-8-9-38)29(14-26)42-19-22-12-21(15-35)16-37-17-22/h1-7,12-14,16-17,32,36,38H,8-11,18-20H2","","2023-04-05","2024-07-19","5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile","2024-07-24"],["VVI","1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea","C21 H17 Br Cl2 N6 O4","COc1cc(Br)c(CO)nc1NC(=O)Nc2cc(O[CH](C)c3c(Cl)cncc3Cl)c(cn2)C#N;CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)Nc3c(cc(c(n3)CO)Br)OC","InChI=1S/C21H17BrCl2N6O4/c1-10(19-13(23)7-26-8-14(19)24)34-16-4-18(27-6-11(16)5-25)29-21(32)30-20-17(33-2)3-12(22)15(9-31)28-20/h3-4,6-8,10,31H,9H2,1-2H3,(H2,27,28,29,30,32)/t10-/m1/s1","","2023-08-22","2024-09-27","1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea","2024-07-31"],["DP0","Disopyramide","C21 H29 N3 O","O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C;CC(C)N(CC[C](C(N)=O)(c1ccccc1)c2ccccn2)C(C)C;CC(C)N(CCC(c1ccccc1)(c2ccccn2)C(=O)N)C(C)C","InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/t21-/m0/s1","(2S)-4-(dipropan-2-ylamino)-2-phenyl-2-(pyridin-2-yl)butanamide","2010-11-09","2021-03-01","(2S)-4-(dipropan-2-ylamino)-2-phenyl-2-(pyridin-2-yl)butanamide",""],["VVJ","N-cycloheptyl-N-methylmethanesulfonamide","C9 H19 N O2 S","N(S(=O)(=O)C)(C1CCCCCC1)C;CN(C1CCCCCC1)[S](C)(=O)=O;CN(C1CCCCCC1)S(=O)(=O)C","InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3","","2020-09-17","2020-09-25","N-cycloheptyl-N-methylmethanesulfonamide","2020-09-30"],["DP1","L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE","C10 H22 N8 O4","[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)NC(C(=O)N)CCN)N;NCC[CH](NC(=O)[CH](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O;C(CC(C(=O)NC(CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]","InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1","","2003-05-02","2011-06-04","N-[(1S)-3-amino-1-carbamoylpropyl]-N~5~-(N-nitrocarbamimidoyl)-L-ornithinamide",""],["DP2","D-lysyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide","C12 H26 N8 O4","NCCCCC(N)C(=O)NC(CCCNC(=N)N[N+]([O-])=O)C(N)=O;NCCCC[CH](N)C(=O)N[CH](CCCNC(=N)N[N+]([O-])=O)C(N)=O;C(CCN)CC(C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)N)N","InChI=1S/C12H26N8O4/c13-6-2-1-4-8(14)11(22)18-9(10(15)21)5-3-7-17-12(16)19-20(23)24/h8-9H,1-7,13-14H2,(H2,15,21)(H,18,22)(H3,16,17,19)/t8-,9-/m1/s1","D-LYSINE-D-NITROARGININE AMIDE","2003-12-18","2026-04-05","D-lysyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide",""],["VVK","N-(2-methoxyphenyl)-2-methyl-L-alanine","C11 H15 N O3","COc1ccccc1NC(C)(C)C(=O)O;COc1ccccc1NC(C)(C)C(O)=O;CC(C)(C(=O)O)Nc1ccccc1OC","InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14)","","2022-09-02","2022-10-28","N-(2-methoxyphenyl)-2-methyl-L-alanine","2022-11-02"],["VVL","6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione","C10 H9 N3 S2","S=C1NC(=S)C(Cc2ccccc2)=NN1;S=C1NN=C(Cc2ccccc2)C(=S)N1;c1ccc(cc1)CC2=NNC(=S)NC2=S","InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)","","2023-05-09","2023-06-09","6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione","2023-06-14"],["DP3","N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMINO]PENTYL}-N'-NITROGUANIDINE","C8 H21 N7 O2","[O-][N+](=O)NC(=[N@H])NCCCC(N)CNCCN;NCCNC[CH](N)CCCNC(=N)N[N+]([O-])=O;C(CC(CNCCN)N)CNC(=N)N[N+](=O)[O-]","InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1","","2003-05-05","2011-06-04","1-{(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl}-3-nitroguanidine",""],["VVM","4-amino-N-phenylbenzene-1-sulfonamide","C12 H12 N2 O2 S","Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2;Nc1ccc(cc1)[S](=O)(=O)Nc2ccccc2;c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N","InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2","","2020-09-17","2020-09-25","4-amino-N-phenylbenzene-1-sulfonamide","2020-09-30"],["DP4","(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide","C14 H23 N O Si","[O-][N+]2(CCC([Si](c1ccccc1)(C)C)CC2)C;C[N+]1([O-])CC[CH](CC1)[Si](C)(C)c2ccccc2;C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]","InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+","","2003-01-17","2011-06-04","(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide",""],["DP5","1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOP\nYRANOSE","C18 H32 O12 S4","S(C1C(OC(S)C(O)C1O)CO)C3OC(C(SC2OC(CO)C(S)C(O)C2O)C(O)C3O)CO;OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)S[CH]3[CH](O)[CH](O)[CH](S)O[CH]3CO)[CH](O)[CH](O)[CH]1S;C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)SC3C(OC(C(C3O)O)S)CO)CO)O)O)S)O","InChI=1S/C18H32O12S4/c19-1-4-13(31)7(22)11(26)17(29-4)34-15-6(3-21)30-18(12(27)9(15)24)33-14-5(2-20)28-16(32)10(25)8(14)23/h4-27,31-32H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1","","1999-07-08","2020-07-17","4-thio-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1,4-dithio-beta-D-glucopyranose",""],["VVN","N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide","C21 H21 N3 O3","CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N;CCC(=O)N(C)CCOc1ccccc1Oc2cccn3cc(cc23)C#N;CCC(=O)N(C)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N","InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3","","2023-09-19","2023-11-03","N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide","2023-11-08"],["VVO","oxovanadium(2+)","O V","O=[V+2];O=[V++];O=[V+2]","InChI=1S/O.V/q;+2","","2017-08-09","2017-09-01","oxovanadium(2+)","2017-09-06"],["DP6","(3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID","C6 H14 O10 P2","O=P(OP(=O)(OCCC(O)(C)CC(=O)O)O)(O)O;C[C](O)(CCO[P](O)(=O)O[P](O)(O)=O)CC(O)=O;CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O","InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1","","2007-02-15","2011-06-04","(3R)-3-hydroxy-5-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid",""],["VVP","4-methoxy-1H-indole","C9 H9 N O","n1ccc2c1cccc2OC;COc1cccc2[nH]ccc12;COc1cccc2c1cc[nH]2","InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3","","2020-09-17","2020-09-25","4-methoxy-1H-indole","2020-09-30"],["DP7","AC-(D)PHE-PRO-BOROARG-OH","C21 H33 B N6 O5","O=C(NC(B(O)O)CCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2;CC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCNC(N)=N)B(O)O;[H]N=C(N)NCCCC(B(O)O)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)C","InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1","","1999-07-08","2024-09-27","N-acetyl-D-phenylalanyl-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-prolinamide",""],["VVQ","5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide","C16 H14 Cl N5 O","Clc3ccc(c(c2c(cc(c1nc(ncc1)N)n2)C(=O)N)c3)C;Cc1ccc(Cl)cc1c2[nH]c(cc2C(N)=O)c3ccnc(N)n3;Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl","InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)6-10(8)14-11(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)","","2014-04-30","2014-07-18","5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide","2014-07-23"],["DP8","N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine","C16 H19 N O2","O(c2ccc(Oc1ccccc1)cc2)CCN(C)C;CN(C)CCOc1ccc(Oc2ccccc2)cc1;CN(C)CCOc1ccc(cc1)Oc2ccccc2","InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3","","2015-01-06","2015-02-06","N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine","2015-02-11"],["VVR","3-phenoxypropanoic acid","C9 H10 O3","O=C(O)CCOc1ccccc1;OC(=O)CCOc1ccccc1;c1ccc(cc1)OCCC(=O)O","InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)","","2022-09-02","2022-10-28","3-phenoxypropanoic acid","2022-11-02"],["DP9","L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE","C11 H22 N8 O4","O=C(NC1CC(C(=O)N)NC1)C(N)CCCNC(=[N@H])N[N+]([O-])=O;N[CH](CCCNC(=N)N[N+]([O-])=O)C(=O)N[CH]1CN[CH](C1)C(N)=O;C1C(CNC1C(=O)N)NC(=O)C(CCCNC(=N)N[N+](=O)[O-])N","InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1","","2003-05-06","2011-06-04","(4R)-4-{[N~5~-(N-nitrocarbamimidoyl)-L-ornithyl]amino}-L-prolinamide",""],["VVS","2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol","C22 H30 N4 O","n1ccn(c1)Cc2c(O)c(cc(c2)C(C)(C)CC(C)(C)C)Cn3ccnc3;CC(C)(C)CC(C)(C)c1cc(Cn2ccnc2)c(O)c(Cn3ccnc3)c1;CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3","InChI=1S/C22H30N4O/c1-21(2,3)14-22(4,5)19-10-17(12-25-8-6-23-15-25)20(27)18(11-19)13-26-9-7-24-16-26/h6-11,15-16,27H,12-14H2,1-5H3","","2014-05-22","2014-11-14","2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol","2014-11-19"],["DPA","4,5-DIMETHOXY-N-(2'-METHOXYPROPENOYL ANTHRANILATE)","C13 H15 N O5","O=C(C(OC)=C)Nc1cc(OC)c(OC)cc1C=O;COC(=C)C(=O)Nc1cc(OC)c(OC)cc1C=O;COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O","InChI=1S/C13H15NO5/c1-8(17-2)13(16)14-10-6-12(19-4)11(18-3)5-9(10)7-15/h5-7H,1H2,2-4H3,(H,14,16)","","1999-07-08","2011-06-04","N-(2-formyl-4,5-dimethoxyphenyl)-2-methoxyprop-2-enamide",""],["VVT","6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine","C15 H10 Cl N3","Clc2cc(c1ccncc1)c(nn2)c3ccccc3;Clc1cc(c2ccncc2)c(nn1)c3ccccc3;c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3","InChI=1S/C15H10ClN3/c16-14-10-13(11-6-8-17-9-7-11)15(19-18-14)12-4-2-1-3-5-12/h1-10H","","2015-05-15","2016-07-07","6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine","2016-07-07"],["DPB","(S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHONO)BENZYLIDENE-B-D-THREO-PENTOFURANOSYL]THYMINE","C17 H19 N2 O8 P","O=C1C(=CN(C(=O)N1)C4OC2C(OC(OC2)(c3ccccc3)P(=O)(O)O)C4)C;CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(O3)(c4ccccc4)P(=O)(O)O","InChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1","DPB-T","2003-09-17","2020-06-17","1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-L-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione",""],["VVU","dirhodium (II) tetraacetate","C8 H16 O8 Rh2","C[CH]1O[Rh++]234O[CH](C)O[Rh++]2(O1)(O[CH](C)O3)O[CH](C)O4;CC1O[Rh+2]234OC(O[Rh+2]2(O1)(OC(O3)C)OC(O4)C)C","InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4;;/h4*2H,1H3;;/q4*-2;2*+6","Rhodium(II) acetate","2023-04-12","2023-06-09","","2023-06-14"],["DPC","5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID","C20 H27 N3 O5","O=C(O)C=2OC(C(=O)N(CCc1ccccc1)CCC)C(NC(=O)C)C(N)C=2;CCCN(CCc1ccccc1)C(=O)[CH]2OC(=C[CH](N)[CH]2NC(C)=O)C(O)=O;CCCN(CCc1ccccc1)C(=O)C2C(C(C=C(O2)C(=O)O)N)NC(=O)C","InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1","","1999-07-08","2020-07-17","(2R,3R,4S)-3-(acetylamino)-4-amino-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid\n(non-preferred name)",""],["DPD","N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE","C34 H48 N2 O2","O(c1cc(ccc1OCCCC)C(NCCCNCCC(c2ccccc2)c3ccccc3)C)CCCC;CCCCOc1ccc(cc1OCCCC)[CH](C)NCCCNCCC(c2ccccc2)c3ccccc3;CCCCOc1ccc(cc1OCCCC)C(C)NCCCNCCC(c2ccccc2)c3ccccc3","InChI=1S/C34H48N2O2/c1-4-6-25-37-33-20-19-31(27-34(33)38-26-7-5-2)28(3)36-23-14-22-35-24-21-32(29-15-10-8-11-16-29)30-17-12-9-13-18-30/h8-13,15-20,27-28,32,35-36H,4-7,14,21-26H2,1-3H3/t28-/m1/s1","","1999-07-08","2011-06-04","N-[(1R)-1-(3,4-dibutoxyphenyl)ethyl]-N'-(3,3-diphenylpropyl)propane-1,3-diamine",""],["VVV","5,6,8-trimethoxy-4-methylquinolin-2(1H)-one","C13 H15 N O4","O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2)C;COc1cc(OC)c(OC)c2C(=CC(=O)Nc12)C;CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC","InChI=1S/C13H15NO4/c1-7-5-10(15)14-12-8(16-2)6-9(17-3)13(18-4)11(7)12/h5-6H,1-4H3,(H,14,15)","","2010-06-29","2012-01-06","5,6,8-trimethoxy-4-methylquinolin-2(1H)-one",""],["DPE","N-UNDECANYLPHOSPHONATE METHYL ESTER GROUP","C12 H27 O2 P","O=P(OC)CCCCCCCCCCC;CCCCCCCCCCC[PH](=O)OC;CCCCCCCCCCCP(=O)OC","InChI=1S/C12H27O2P/c1-3-4-5-6-7-8-9-10-11-12-15(13)14-2/h15H,3-12H2,1-2H3","","1999-07-08","2024-09-27","methyl (S)-undecylphosphinate",""],["VVW","1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea","C32 H35 Cl2 N9 O6","C[CH](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OCCN4CCOCC4)ncc1C#N)c5c(Cl)cncc5Cl;CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)Nc3c(cc(c(n3)C=O)CN4CCN(CC4=O)C)OCCN5CCOCC5","InChI=1S/C32H35Cl2N9O6/c1-20(30-23(33)15-36-16-24(30)34)49-26-12-28(37-14-22(26)13-35)39-32(46)40-31-27(48-10-7-42-5-8-47-9-6-42)11-21(25(19-44)38-31)17-43-4-3-41(2)18-29(43)45/h11-12,14-16,19-20H,3-10,17-18H2,1-2H3,(H2,37,38,39,40,46)/t20-/m1/s1","","2023-08-22","2024-09-27","1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea","2024-07-31"],["VVX","6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole","C26 H28 N6 O","CC(C)N1CCN(CC1)Cc2oc(nc2)c3cc(cc4[nH]ncc34)c5cccc6[nH]ccc56;CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6","InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)","","2015-08-26","2015-09-11","2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole","2015-09-16"],["DPF","DIETHYL HYDROGEN PHOSPHATE","C4 H11 O4 P","O=P(O)(OCC)OCC;CCO[P](O)(=O)OCC;CCOP(=O)(O)OCC","InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)","","2007-08-30","2024-09-27","diethyl hydrogen phosphate",""],["VVY","2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one","C12 H15 N O2","N1(CCCC1)C(=O)COc2ccccc2;O=C(COc1ccccc1)N2CCCC2;c1ccc(cc1)OCC(=O)N2CCCC2","InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2","","2020-09-17","2020-09-25","2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one","2020-09-30"],["DPG","PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER","C46 H96 O11 P2","O=P(O)(O)OCC(O)COP(=O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C;CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C;CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COP(=O)(O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C","InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/t39-,40-,41+,42+,43-,44-,45-,46+/m0/s1","DPHPG","1999-07-08","2021-03-01","(2S,5R,8R,13S,17R,21S)-2,5-dihydroxy-13,17,21,25-tetramethyl-5-oxido-8-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-4,6,10-trioxa-5-phosphahexacos-1-yl dihydrogen phosphate",""],["VW0","(2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid","C11 H20 N O11 P","C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O;CC(C(=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)C","InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11+/m1/s1","","2023-04-12","2023-09-15","(2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid","2023-09-20"],["DPH","DEAMINO-METHYL-PHENYLALANINE","C10 H12 O2","O=C(O)C(C)Cc1ccccc1;C[CH](Cc1ccccc1)C(O)=O;CC(Cc1ccccc1)C(=O)O","InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1","","1999-07-08","2011-08-06","(2S)-2-methyl-3-phenylpropanoic acid",""],["VW1","(2S)-2-(4-cyanophenoxy)propanamide","C10 H10 N2 O2","N#Cc1ccc(OC(C(=O)N)C)cc1;C[CH](Oc1ccc(cc1)C#N)C(N)=O;CC(C(=O)N)Oc1ccc(cc1)C#N","InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)","","2020-09-17","2020-09-25","(2S)-2-(4-cyanophenoxy)propanamide","2020-09-30"],["DPJ","O,O-DIETHYL HYDROGEN THIOPHOSPHATE","C4 H11 O3 P S","S=P(O)(OCC)OCC;CCO[P](O)(=S)OCC;CCOP(=S)(O)OCC","InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)","","2007-08-30","2011-06-04","O,O-diethyl hydrogen thiophosphate",""],["DPK","DEPRENYL","C13 H19 N","N(C(Cc1ccccc1)C)(CC=C)C;C[CH](Cc1ccccc1)N(C)CC=C;CC(Cc1ccccc1)N(C)CC=C","InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1","N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE","2005-07-29","2020-06-17","N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-en-1-amine",""],["VW2","N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide","C21 H20 Cl N3 O3","CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N;CCC(=O)N(C)CCOc1ccccc1Oc2cc(Cl)cn3cc(cc23)C#N;CCC(=O)N(C)CCOc1ccccc1Oc2cc(cn3c2cc(c3)C#N)Cl","InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3","","2023-09-19","2023-11-03","N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide","2023-11-08"],["VW3","N-hydroxy-3-phenoxypropanamide","C9 H11 N O3","ONC(=O)CCOc1ccccc1;ONC(=O)CCOc1ccccc1;c1ccc(cc1)OCCC(=O)NO","InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)","","2022-09-02","2022-10-28","N-hydroxy-3-phenoxypropanamide","2022-11-02"],["DPL","4-OXOPROLINE","C5 H7 N O3","O=C(O)C1NCC(=O)C1;OC(=O)[CH]1CC(=O)CN1;C1C(NCC1=O)C(=O)O","InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1","","1999-07-08","2024-09-27","4-oxo-L-proline",""],["VW4","(2S)-2-phenylpropane-1-sulfonamide","C9 H13 N O2 S","NS(CC(c1ccccc1)C)(=O)=O;C[CH](C[S](N)(=O)=O)c1ccccc1;CC(CS(=O)(=O)N)c1ccccc1","InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1","","2020-09-17","2020-09-25","(2S)-2-phenylpropane-1-sulfonamide","2020-09-30"],["DPM","3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid","C20 H24 N2 O8","O=C(O)Cc1c(ncc1CCC(=O)O)Cc2c(c(c(n2)C)CC(=O)O)CCC(=O)O;Cc1[nH]c(Cc2[nH]cc(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O;Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O","InChI=1S/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h9,21-22H,2-8H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)","DIPYRROMETHANE COFACTOR","1999-07-08","2024-09-27","3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid",""],["VW5","dirhodium (II) oxide","H8 O8 Rh2","O[Rh++](O)(O)(O)[Rh++](O)(O)(O)O;O[Rh+2](O)(O)(O)[Rh+2](O)(O)(O)O","InChI=1S/8H2O.2Rh/h8*1H2;;/q;;;;;;;;2*+6/p-8","","2023-04-12","2023-06-09","","2023-06-14"],["DPN","D-PHENYLALANINE","C9 H11 N O2","O=C(O)C(N)Cc1ccccc1;N[CH](Cc1ccccc1)C(O)=O;c1ccc(cc1)CC(C(=O)O)N","InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1","","1999-07-08","2024-09-27","D-phenylalanine",""],["DPO","DIPHOSPHATE","O7 P2","[O-]P([O-])(=O)OP([O-])([O-])=O;[O-][P]([O-])(=O)O[P]([O-])([O-])=O;[O-]P(=O)([O-])OP(=O)([O-])[O-]","InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4","","1999-07-08","2014-03-19","diphosphate",""],["VW6","4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline","C20 H27 F N2 O3","CNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1;CNc1ccc(cc1)CCc2ccc(nc2)OCCOCCOCCF","InChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3","","2023-08-23","2024-08-16","4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline","2024-08-21"],["VW7","N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide","C12 H16 N2 O","N(c2ccc(C)c1NCCCc12)C(C)=O;CC(=O)Nc1ccc(C)c2NCCCc12;Cc1ccc(c2c1NCCC2)NC(=O)C","InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)","","2020-09-17","2020-09-25","N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide","2020-09-30"],["DPP","DIAMINOPROPANOIC ACID","C3 H8 N2 O2","O=C(O)C(N)CN;NC[CH](N)C(O)=O;C(C(C(=O)O)N)N","InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1","","1999-07-08","2024-09-27","3-amino-L-alanine",""],["VW8","(1E)-N-hydroxy(phenoxy)ethanimidamide","C8 H10 N2 O2","N=C(COc1ccccc1)NO;ONC(=N)COc1ccccc1;c1ccc(cc1)OCC(=N)NO","InChI=1S/C8H10N2O2/c9-8(10-11)6-12-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)","","2022-09-02","2022-10-28","(1E)-N-hydroxy(phenoxy)ethanimidamide","2022-11-02"],["DPQ","(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOHEXA-1,4-DIENYL)PROPANOIC ACID","C9 H11 N O4","O=C1C=C(CC(C(=O)O)N)CC=C1O;N[CH](CC1=CC(=O)C(=CC1)O)C(O)=O;C1C=C(C(=O)C=C1CC(C(=O)O)N)O","InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2,4,6,11H,1,3,10H2,(H,13,14)/t6-/m0/s1","","2007-05-11","2024-09-27","3-(4-hydroxy-3-oxocyclohexa-1,4-dien-1-yl)-L-alanine",""],["VWA","(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine","C9 H12 F N","N(C)C(c1ccc(cc1)F)C;CN[CH](C)c1ccc(F)cc1;CC(c1ccc(cc1)F)NC","InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1","","2020-09-17","2020-09-25","(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine","2020-09-30"],["DPR","D-PROLINE","C5 H9 N O2","O=C(O)C1NCCC1;OC(=O)[CH]1CCCN1;C1CC(NC1)C(=O)O","InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1","","1999-07-08","2023-11-03","D-proline",""],["VWB","5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile","C24 H22 N2 O3","O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1;O=C(CCOc1ccccc1Oc2cccc3cc(ccc23)C#N)N4CCCC4;c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccc4c3ccc(c4)C#N","InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2","","2023-09-19","2023-11-03","5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile","2023-11-08"],["DPS","3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID","C28 H29 N3 O4 S","O=C(O)C(NS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3)Cc5c4ccccc4nc5;OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(cc3)N4CCC(CC4)c5ccccc5;c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O","InChI=1S/C28H29N3O4S/c32-28(33)27(18-22-19-29-26-9-5-4-8-25(22)26)30-36(34,35)24-12-10-23(11-13-24)31-16-14-21(15-17-31)20-6-2-1-3-7-20/h1-13,19,21,27,29-30H,14-18H2,(H,32,33)/t27-/m0/s1","","1999-07-08","2011-06-04","N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}-L-tryptophan",""],["VWC","4-(2-methylpropoxy)benzohydrazide","C11 H16 N2 O2","NNC(=O)c1ccc(OCC(C)C)cc1;CC(C)COc1ccc(cc1)C(=O)NN;CC(C)COc1ccc(cc1)C(=O)NN","InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)","","2022-09-02","2022-10-28","4-(2-methylpropoxy)benzohydrazide","2022-11-02"],["DPT","4,7-DIMETHYL-[1,10]PHENANTHROLINE","C14 H12 N2","n1c3c(c(cc1)C)ccc2c(ccnc23)C;Cc1ccnc2c1ccc3c(C)ccnc23;Cc1ccnc2c1ccc3c2nccc3C","InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3","","2001-03-06","2011-06-04","4,7-dimethyl-1,10-phenanthroline",""],["DPU","MIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-DIAMINONONANIC ACID","C10 H21 N2 O7 P","O=C(OP(=O)(O)O)NC(CCCCCC(=O)O)C(N)C;C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[P](O)(O)=O;CC(C(CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N","InChI=1S/C10H21N2O7P/c1-7(11)8(5-3-2-4-6-9(13)14)12-10(15)19-20(16,17)18/h7-8H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)/t7-,8+/m0/s1","","2001-03-28","2011-06-04","(7R,8S)-8-amino-7-{[(phosphonooxy)carbonyl]amino}nonanoic acid",""],["VWD","(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol","C9 H12 O3 S","c1(C(CS(C)(=O)=O)O)ccccc1;C[S](=O)(=O)C[CH](O)c1ccccc1;CS(=O)(=O)CC(c1ccccc1)O","InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1","","2020-09-17","2020-09-25","(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol","2020-09-30"],["VWE","2-fluoranyl-5-sulfo-benzoic acid","C7 H5 F O5 S","OC(=O)c1cc(ccc1F)[S](O)(=O)=O;c1cc(c(cc1S(=O)(=O)O)C(=O)O)F","InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)","","2023-04-12","2024-01-19","2-fluoranyl-5-sulfo-benzoic acid","2024-01-24"],["DPV","dodecyl 2-(trimethylammonio)ethyl phosphate","C17 H38 N O4 P","CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C;CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C","InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3","dodecylphosphocholine","2009-12-09","2021-03-01","dodecyl 2-(trimethylazaniumyl)ethyl phosphate",""],["VWF","1H-benzotriazole-5-carbonitrile","C7 H4 N4","N#Cc1ccc2[nH]nnc2c1;c1cc2c(cc1C#N)nn[nH]2","InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)","5-cyanobenzotriazole","2023-08-30","2024-08-30","1~{H}-benzotriazole-5-carbonitrile","2024-09-04"],["DPW","decyl 2-trimethylazaniumylethyl phosphate","C15 H34 N O4 P","[O-]P(=O)(OCCCCCCCCCC)OCC[N+](C)(C)C;CCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C;CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C","InChI=1S/C15H34NO4P/c1-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16(2,3)4/h5-15H2,1-4H3","","2008-12-03","2011-06-04","decyl 2-(trimethylammonio)ethyl phosphate",""],["VWG","N-hydroxyquinoline-2-carboxamide","C10 H8 N2 O2","N(O)C(=O)c1ccc2c(n1)cccc2;ONC(=O)c1ccc2ccccc2n1;c1ccc2c(c1)ccc(n2)C(=O)NO","InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)","","2020-09-17","2020-09-25","N-hydroxyquinoline-2-carboxamide","2020-09-30"],["DPX","MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER","C11 H20 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCC(O)C(/S)=C(/NCc1cnc(nc1N)C)C;CC(NCc1cnc(C)nc1N)=C(S)[CH](O)CO[P](O)(=O)O[P](O)(O)=O;Cc1ncc(c(n1)N)CNC(=C(C(COP(=O)(O)OP(=O)(O)O)O)S)C","InChI=1S/C11H20N4O8P2S/c1-6(13-3-8-4-14-7(2)15-11(8)12)10(26)9(16)5-22-25(20,21)23-24(17,18)19/h4,9,13,16,26H,3,5H2,1-2H3,(H,20,21)(H2,12,14,15)(H2,17,18,19)/b10-6-/t9-/m1/s1","","1999-07-08","2011-06-04","(2R,3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-2-hydroxy-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate",""],["VWH","2-[(cyclopentylamino)methyl]-6-methoxyphenol","C13 H19 N O2","COc1cccc(CNC2CCCC2)c1O;COc1cccc(CNC2CCCC2)c1O;COc1cccc(c1O)CNC2CCCC2","InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3","","2022-09-02","2022-10-28","2-[(cyclopentylamino)methyl]-6-methoxyphenol","2022-11-02"],["DPY","2-DEOXYRIBOFURANOSYL-PYRIDINE-2,6-DICARBOXYLIC ACID-5'-MONOPHOSPHATE","C12 H14 N O10 P","O=P(OCC2OC(c1ccc(nc1C(=O)O)C(=O)O)CC2O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc(nc2C(O)=O)C(O)=O;c1cc(nc(c1C2CC(C(O2)COP(=O)(O)O)O)C(=O)O)C(=O)O","InChI=1S/C12H14NO10P/c14-7-3-8(23-9(7)4-22-24(19,20)21)5-1-2-6(11(15)16)13-10(5)12(17)18/h1-2,7-9,14H,3-4H2,(H,15,16)(H,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1","","2001-06-25","2011-06-04","(1R)-1,4-anhydro-2-deoxy-1-(2,6-dicarboxypyridin-3-yl)-5-O-phosphono-D-erythro-pentitol",""],["DPZ","3,5-DIAMINOPHTHALHYDRAZIDE","C8 H8 N4 O2","O=C2c1c(cc(cc1N)N)C(=O)NN2;Nc1cc(N)c2C(=O)NNC(=O)c2c1;c1c(cc(c2c1C(=O)NNC2=O)N)N","InChI=1S/C8H8N4O2/c9-3-1-4-6(5(10)2-3)8(14)12-11-7(4)13/h1-2H,9-10H2,(H,11,13)(H,12,14)","","2000-06-06","2011-06-04","5,7-diamino-2,3-dihydrophthalazine-1,4-dione",""],["VWI","4-nitrobenzene-1-sulfonic acid","C6 H5 N O5 S","OS(=O)(=O)c1ccc(cc1)[N+]([O-])=O;O[S](=O)(=O)c1ccc(cc1)[N+]([O-])=O;c1cc(ccc1[N+](=O)[O-])S(=O)(=O)O","InChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)","","2023-04-12","2026-04-06","4-nitrobenzene-1-sulfonic acid","2024-01-24"],["VWJ","N-(propan-2-yl)-1H-benzimidazol-2-amine","C10 H13 N3","N(c1nc2c(n1)cccc2)C(C)C;CC(C)Nc1[nH]c2ccccc2n1;CC(C)Nc1[nH]c2ccccc2n1","InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)","","2020-09-17","2020-09-25","N-(propan-2-yl)-1H-benzimidazol-2-amine","2020-09-30"],["DQ0","4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid","C21 H21 Cl N4 O4","Nc1nc(N)c(c(COc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O","InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)12-30-16-7-2-6-15(11-16)29-9-3-8-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)","","2019-08-21","2019-11-29","4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid","2019-12-04"],["VWK","3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide","C22 H20 N2 O3","CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21;CN(C)C(=O)CCOc1ccccc1Oc2cccc3cc(ccc23)C#N;CN(C)C(=O)CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N","InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3","","2023-09-19","2023-11-03","3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide","2023-11-08"],["DQ1","ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate","C22 H27 N5 O4","CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC;CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N","InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)","","2009-11-05","2011-06-04","ethyl 4-[5-[[2,4-bis(azanyl)quinazolin-6-yl]methylamino]-2-methoxy-phenoxy]butanoate",""],["DQ2","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium","C15 H23 N10 O4 S","NCCNC(=O)CCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O;c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)C3C(C(C(O3)CN=[N+]=N)O)O)N","InChI=1S/C15H22N10O4S/c16-2-3-19-8(26)1-4-30-15-23-9-12(17)20-6-21-13(9)25(15)14-11(28)10(27)7(29-14)5-22-24-18/h6-7,10-11,14,18,27-28H,1-5,16H2,(H2-,17,19,20,21,26)/p+1/t7-,10-,11-,14-/m1/s1","","2018-01-26","2019-02-01","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium","2019-02-06"],["VWL","N-(4-aminophenyl)-5-methylfuran-3-carboxamide","C12 H12 N2 O2","Cc1cc(co1)C(=O)Nc1ccc(N)cc1;Cc1occ(c1)C(=O)Nc2ccc(N)cc2;Cc1cc(co1)C(=O)Nc2ccc(cc2)N","InChI=1S/C12H12N2O2/c1-8-6-9(7-16-8)12(15)14-11-4-2-10(13)3-5-11/h2-7H,13H2,1H3,(H,14,15)","","2022-09-02","2022-10-28","N-(4-aminophenyl)-5-methylfuran-3-carboxamide","2022-11-02"],["VWM","(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid","C8 H13 N O4","N1(CCCC(O)(C1)C(=O)O)C(C)=O;CC(=O)N1CCC[C](O)(C1)C(O)=O;CC(=O)N1CCCC(C1)(C(=O)O)O","InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1","","2020-09-17","2020-09-25","(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid","2020-09-30"],["DQ3","5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine","C19 H19 Cl N4 O","Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3;c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl","InChI=1S/C19H19ClN4O/c20-14-7-4-6-13(12-14)17-16(23-19(22)24-18(17)21)10-5-11-25-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H4,21,22,23,24)","","2019-08-21","2019-11-29","5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine","2019-12-04"],["VWN","2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one","C17 H19 N5 O2","O=C1C=C(N=C(N1)Cc3nc2ccccc2n3C)N4CCOCC4;Cn1c(CC2=NC(=CC(=O)N2)N3CCOCC3)nc4ccccc14;Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4","InChI=1S/C17H19N5O2/c1-21-13-5-3-2-4-12(13)18-15(21)10-14-19-16(11-17(23)20-14)22-6-8-24-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,20,23)","","2012-02-20","2014-09-05","2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one",""],["DQ4","5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","C13 H11 N3 O4","O=C1NC(=O)CCC1N1C(=O)c2ccc(N)cc2C1=O;Nc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1;c1cc2c(cc1N)C(=O)N(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)/t9-/m1/s1","","2021-11-30","2023-01-20","5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","2023-01-25"],["VWO","6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid","C10 H9 N O4 S","Nc1ccc2cc(cc(O)c2c1)[S](O)(=O)=O;c1cc(cc2c1cc(cc2O)S(=O)(=O)O)N","InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)","7-amino-1-naphthol-3-sulfonic acid","2023-04-12","2024-01-19","6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid","2024-01-24"],["DQ5","2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol","C23 H26 N4 O2","ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccccc24)ccc1O;c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)C=NO)O","InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+","","2018-01-26","2018-08-24","2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol","2018-08-29"],["VWP","N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide","C29 H40 N8 O4","C1(C=CCN1C(Cc2cccc3c2cccc3)=O)C(NC(C(=O)NC(C(=O)N)CCCNC(=N)N)CCCCN)=O;NCCCC[CH](NC(=O)[CH]1C=CCN1C(=O)Cc2cccc3ccccc23)C(=O)N[CH](CCCNC(N)=N)C(N)=O;c1ccc2c(c1)cccc2CC(=O)N3CC=CC3C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)N","InChI=1S/C29H40N8O4/c30-15-4-3-12-23(27(40)35-22(26(31)39)13-6-16-34-29(32)33)36-28(41)24-14-7-17-37(24)25(38)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,7-11,14,22-24H,3-4,6,12-13,15-18,30H2,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23-,24-/m0/s1","","2020-09-17","2021-04-09","N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide","2021-04-14"],["DQ6","(2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID","C24 H25 N O2","O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C;Cc1cccc(c1)C(CC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3;Cc1cccc(c1)C(CCC(C(=O)O)N)(c2ccccc2)c3ccccc3","InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1","","2011-10-24","2014-09-05","5-(3-methylphenyl)-5,5-diphenyl-L-norvaline","2012-10-26"],["VWR","1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine","C8 H11 N5 S","CCn1nnnc1NCc1cccs1;CCn1nnnc1NCc2sccc2;CCn1c(nnn1)NCc2cccs2","InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12)","","2022-09-02","2022-10-28","1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine","2022-11-02"],["DQ7","(2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID","C24 H25 N O2","O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C;Cc1cccc(c1)C(CC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3;Cc1cccc(c1)C(CCC(C(=O)O)N)(c2ccccc2)c3ccccc3","InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1","","2011-10-24","2014-09-05","5-(3-methylphenyl)-5,5-diphenyl-D-norvaline","2012-10-26"],["VWS","5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid","C16 H12 Cl N O5 S","Clc1ccc(cc1)S(=O)(=O)Nc3cc2c(oc(c2C(=O)O)C)cc3;Cc1oc2ccc(N[S](=O)(=O)c3ccc(Cl)cc3)cc2c1C(O)=O;Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O","InChI=1S/C16H12ClNO5S/c1-9-15(16(19)20)13-8-11(4-7-14(13)23-9)18-24(21,22)12-5-2-10(17)3-6-12/h2-8,18H,1H3,(H,19,20)","","2012-09-12","2013-02-22","5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid","2013-02-22"],["DQ8","1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone","C23 H23 N O S","O=C(c1cccc(c1)C(SCCN)(c2ccccc2)c3ccccc3)C;CC(=O)c1cccc(c1)C(SCCN)(c2ccccc2)c3ccccc3;CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN","InChI=1S/C23H23NOS/c1-18(25)19-9-8-14-22(17-19)23(26-16-15-24,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-14,17H,15-16,24H2,1H3","","2011-10-24","2014-09-05","1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone","2012-10-26"],["DQ9","2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid","C21 H21 Cl N4 O4","Nc1nc(N)c(c(CCCOc2cccc(OCC(O)=O)c2)n1)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O","InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)8-3-9-29-15-6-2-7-16(11-15)30-12-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)","","2019-08-21","2019-11-29","2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid","2019-12-04"],["VWT","4-cyanobenzenesulfonic acid","C7 H5 N O3 S","O[S](=O)(=O)c1ccc(cc1)C#N;c1cc(ccc1C#N)S(=O)(=O)O","InChI=1S/C7H5NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H,9,10,11)","","2023-04-12","2024-01-19","4-cyanobenzenesulfonic acid","2024-01-24"],["DQA","1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID","C7 H10 O6","O=C1C(O)C(O)CC(O)(C(=O)O)C1;O[CH]1C[C](O)(CC(=O)[CH]1O)C(O)=O;C1C(C(C(=O)CC1(C(=O)O)O)O)O","InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1","3-DEHYDROQUINIC ACID","2003-01-20","2024-09-27","(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid",""],["VWU","2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide","C17 H13 Cl3 N2 O2","Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl;ClCC(=O)NCCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1;c1cc(c(cc1CCNC(=O)CCl)Oc2cc(cc(c2)Cl)C#N)Cl","InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23)","","2023-09-19","2023-11-03","2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide","2023-11-08"],["VWV","ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate","C8 H15 N O4 S","N1(CC(OCC)=O)CCS(CC1)(=O)=O;CCOC(=O)CN1CC[S](=O)(=O)CC1;CCOC(=O)CN1CCS(=O)(=O)CC1","InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3","","2020-09-17","2020-09-25","ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate","2020-09-30"],["DQB","4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID","C20 H21 N5 O4","O=C(O)CCCNC(=O)c1ccc(cc1)NCc3ccc2N=C(NC(=O)c2c3)N;NC1=Nc2ccc(CNc3ccc(cc3)C(=O)NCCCC(O)=O)cc2C(=O)N1;c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N","InChI=1S/C20H21N5O4/c21-20-24-16-8-3-12(10-15(16)19(29)25-20)11-23-14-6-4-13(5-7-14)18(28)22-9-1-2-17(26)27/h3-8,10,23H,1-2,9,11H2,(H,22,28)(H,26,27)(H3,21,24,25,29)","","2005-06-14","2011-06-04","4-{[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}phenyl)carbonyl]amino}butanoic acid",""],["VWW","L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide","C23 H27 N3 O6 S","O=C(O)C(N)CCC(=O)NC(C(=O)NC(c1ccccc1)C(=O)O)CSCc2ccccc2;N[CH](CCC(=O)N[CH](CSCc1ccccc1)C(=O)N[CH](C(O)=O)c2ccccc2)C(O)=O;c1ccc(cc1)CSCC(C(=O)NC(c2ccccc2)C(=O)O)NC(=O)CCC(C(=O)O)N","InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1","","2009-02-05","2011-07-13","L-gamma-glutamyl-S-benzyl-N-[(R)-carboxy(phenyl)methyl]-L-cysteinamide",""],["DQC","7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile","C9 H4 N4 O4","[O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2;[O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N;c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])C#N","InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","","2008-01-03","2024-04-12","7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile","2024-04-17"],["VWX","[[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C20 H27 N9 O20 P4","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]4n5cnc6C(=O)NC=Nc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=CNC6=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N","InChI=1S/C20H27N9O20P4/c21-15-9-16(23-3-22-15)28(5-26-9)19-13(32)11(30)7(45-19)1-43-51(37,38)47-14-12(31)8(2-44-52(39,40)49-53(41,42)48-50(34,35)36)46-20(14)29-6-27-10-17(29)24-4-25-18(10)33/h3-8,11-14,19-20,30-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,24,25,33)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","","2022-09-02","2024-01-12","[[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2024-01-17"],["DQD","N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea","C24 H28 F3 N3 O3","FC(F)(F)c1cccc(c1)NC(=O)N(C2CCN(CC2)CCC)Cc3ccc4c(c3)OCO4;CCCN1CCC(CC1)N(Cc2ccc3OCOc3c2)C(=O)Nc4cccc(c4)C(F)(F)F;CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C24H28F3N3O3/c1-2-10-29-11-8-20(9-12-29)30(15-17-6-7-21-22(13-17)33-16-32-21)23(31)28-19-5-3-4-18(14-19)24(25,26)27/h3-7,13-14,20H,2,8-12,15-16H2,1H3,(H,28,31)","","2017-11-01","2018-09-21","N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea","2018-09-26"],["VWY","N-ethyl-4-[(methylsulfonyl)amino]benzamide","C10 H14 N2 O3 S","N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O;CCNC(=O)c1ccc(N[S](C)(=O)=O)cc1;CCNC(=O)c1ccc(cc1)NS(=O)(=O)C","InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)","","2020-09-17","2020-09-25","N-ethyl-4-[(methylsulfonyl)amino]benzamide","2020-09-30"],["DQE","ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate","C16 H14 N2 O2","CCOC(=O)c1[nH]c2ccc(cc2c1)c3ccncc3;CCOC(=O)c1cc2cc(ccc2[nH]1)c3ccncc3","InChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-13-9-12(3-4-14(13)18-15)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3","","2021-12-17","2022-12-23","ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate","2022-12-28"],["VWZ","4-phenylbenzenesulfonic acid","C12 H10 O3 S","O[S](=O)(=O)c1ccc(cc1)c2ccccc2;c1ccc(cc1)c2ccc(cc2)S(=O)(=O)O","InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)","","2023-04-12","2024-01-19","4-phenylbenzenesulfonic acid","2024-01-24"],["DQF","4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid","C23 H25 Cl N4 O4","Nc1nc(N)c(c(CCCOc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3;c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O","InChI=1S/C23H25ClN4O4/c24-16-6-1-5-15(13-16)21-19(27-23(26)28-22(21)25)9-3-11-31-17-7-2-8-18(14-17)32-12-4-10-20(29)30/h1-2,5-8,13-14H,3-4,9-12H2,(H,29,30)(H4,25,26,27,28)","","2019-08-21","2019-11-29","4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid","2019-12-04"],["DQG","2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","C22 H24 Cl N3 O3","c4ccc(Cl)c(C(c2cc1c(c(C(=O)O)ccn1)n2)OCCN3CCCCC3)c4;OC(=O)c1ccnc2cc([nH]c12)[CH](OCCN3CCCCC3)c4ccccc4Cl;c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl","InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m0/s1","","2017-11-01","2018-03-23","2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid","2018-03-28"],["VX","O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP","C3 H9 O3 P","O=P(O)(OCC)C;CCO[P](C)(O)=O;CCOP(=O)(C)O","InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)","","1999-07-08","2024-09-27","ethyl hydrogen (S)-methylphosphonate",""],["DQH","(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE","C15 H12 O7","O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O;O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O","InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1","(2R,3R)-TRANS-DIHYDROQUERCETIN","2001-10-30","2021-03-13","(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one",""],["VX0","(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide","C19 H20 F3 N5 O2","C[CH]1[CH](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4;CC1C(N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C","InChI=1S/C19H20F3N5O2/c1-10-11(2)27-16(15(8-23-27)25-5-3-4-17(25)28)9-26(10)19(29)24-12-6-13(20)18(22)14(21)7-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,24,29)","","2023-08-31","2023-10-20","(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide","2023-10-25"],["VX1","4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine","C17 H11 Cl N4 O","Clc4ccc(c1onc2ccc(cc12)c3nc(ncc3)N)cc4;Nc1nccc(n1)c2ccc3noc(c4ccc(Cl)cc4)c3c2;c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl","InChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)","","2007-11-28","2011-06-04","4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine",""],["DQI","3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid","C23 H26 N4 O5","Nc1nc(c2cc(OC)ccc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1;COc1cccc(c1)c2nc(N)nc(N)c2OCCCOc3ccccc3CCC(O)=O;COc1cccc(c1)c2c(c(nc(n2)N)N)OCCCOc3ccccc3CCC(=O)O","InChI=1S/C23H26N4O5/c1-30-17-8-4-7-16(14-17)20-21(22(24)27-23(25)26-20)32-13-5-12-31-18-9-3-2-6-15(18)10-11-19(28)29/h2-4,6-9,14H,5,10-13H2,1H3,(H,28,29)(H4,24,25,26,27)","","2023-07-18","2024-08-23","3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid","2024-08-28"],["DQJ","N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide","C15 H22 N4 O2","C(N2CCC(NC(C1CC1)=O)C2)(c3cc(C(C)C)nn3)=O;CC(C)c1[nH]nc(c1)C(=O)N2CC[CH](C2)NC(=O)C3CC3;CC(C)c1cc(n[nH]1)C(=O)N2CCC(C2)NC(=O)C3CC3","InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1","","2017-11-01","2018-03-23","N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide","2018-03-28"],["VX2","N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine","C18 H18 F3 N5","FC(F)(F)c4cccc(c2nnc1ccc(nn12)NC3CCCCC3)c4;FC(F)(F)c1cccc(c1)c2nnc3ccc(NC4CCCCC4)nn23;c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4","InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)","","2007-11-28","2011-06-04","N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine",""],["DQK","(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid","C20 H24 N2 O4 S","N[CH](CCCCNC(=O)C[CH](Sc1ccc2ccccc2c1)C(O)=O)C=O;c1ccc2cc(ccc2c1)SC(CC(=O)NCCCCC(C=O)N)C(=O)O","InChI=1S/C20H24N2O4S/c21-16(13-23)7-3-4-10-22-19(24)12-18(20(25)26)27-17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11,13,16,18H,3-4,7,10,12,21H2,(H,22,24)(H,25,26)/t16-,18-/m0/s1","","2018-01-26","2024-09-27","(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid","2018-04-18"],["VX3","2,3-diphenyl-1H-indole-7-carboxylic acid","C21 H15 N O2","O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4;OC(=O)c1cccc2c1[nH]c(c3ccccc3)c2c4ccccc4;c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O","InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)","","2007-11-29","2011-06-04","2,3-diphenyl-1H-indole-7-carboxylic acid",""],["VX4","[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone","C11 H16 N2 O S","N2(C(c1cscn1)=O)CCC(C)CCC2;C[CH]1CCCN(CC1)C(=O)c2cscn2;CC1CCCN(CC1)C(=O)c2cscn2","InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1","","2020-09-17","2020-09-25","[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone","2020-09-30"],["DQL","2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol","C7 H6 N2 O S2","Nc1sc2cc(S)cc(O)c2n1;c1c(cc2c(c1O)nc(s2)N)S","InChI=1S/C7H6N2OS2/c8-7-9-6-4(10)1-3(11)2-5(6)12-7/h1-2,10-11H,(H2,8,9)","","2019-08-22","2024-09-27","2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol","2020-09-02"],["DQM","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","C15 H26 N4 O7 S2","C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O;CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)CNS(=O)(=O)N","InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,13,17-18,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11-,13+/m1/s1","Hydrolyzed Doripenem","2015-11-27","2021-03-01","(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid","2016-05-11"],["VX5","(3R)-N-cyclohexylpiperidine-3-carboxamide","C12 H22 N2 O","O=C(NC1CCCCC1)C1CCCNC1;O=C(NC1CCCCC1)[CH]2CCCNC2;C1CCC(CC1)NC(=O)C2CCCNC2","InChI=1S/C12H22N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h10-11,13H,1-9H2,(H,14,15)/t10-/m1/s1","","2022-09-02","2022-10-28","(3R)-N-cyclohexylpiperidine-3-carboxamide","2022-11-02"],["VX6","CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE","C23 H28 N8 O S","O=C(Nc4ccc(Sc2nc(N1CCN(C)CC1)cc(n2)Nc3cc(nn3)C)cc4)C5CC5;CN1CCN(CC1)c2cc(Nc3[nH]nc(C)c3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2;Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C","InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)","","2005-12-08","2011-06-04","N-[4-({4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide",""],["DQN","DUROQUINONE","C10 H12 O2","O=C1C(=C(C(=O)C(=C1C)C)C)C;CC1=C(C)C(=O)C(=C(C)C1=O)C;CC1=C(C(=O)C(=C(C1=O)C)C)C","InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3","","1999-07-08","2011-06-04","2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione",""],["DQO","1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE","C24 H20 Cl2 F2 N4 O","Fc1ccc(c(F)c1)c2cc(cc3c2CNC(=O)N3c4c(Cl)cccc4Cl)N5CCNCC5;Fc1ccc(c(F)c1)c2cc(cc3N(C(=O)NCc23)c4c(Cl)cccc4Cl)N5CCNCC5;c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl","InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33)","","2002-07-25","2011-06-04","1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1H)-one",""],["VX7","N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide","C24 H28 N2 O3","O=C2c1ccccc1NC=C2C(Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C)=O;CC(C)(C)c1cc(c(NC(=O)C2=CNc3ccccc3C2=O)cc1O)C(C)(C)C;CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C","InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)","","2019-02-25","2019-06-21","N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide","2019-06-26"],["DQP","{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid","C16 H9 Br5 Cl N O4","Brc1c(c(Br)c(Br)c(Br)c1Br)CNC(=O)c2ccc(Cl)cc2OCC(=O)O;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(Br)c(Br)c(Br)c(Br)c2Br;c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br","InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)","","2015-01-15","2016-10-07","{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid","2016-10-12"],["VX8","Lumacaftor","C24 H18 F2 N2 O5","O=C(O)c1cccc(c1)c1nc(ccc1C)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1;Cc1ccc(NC(=O)C2(CC2)c3ccc4OC(F)(F)Oc4c3)nc1c5cccc(c5)C(O)=O;Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F","InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)","3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid; VX-809","2021-11-20","2022-01-07","3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid","2022-01-12"],["DQQ","2,5-DIDEOXY-2,5-IMINO-D-MANNITOL","C6 H13 N O4","OC1C(NC(CO)C1O)CO;OC[CH]1N[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(N1)CO)O)O)O","InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1","","2005-08-29","2011-06-04","(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol",""],["VX9","4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid","C31 H56 O4","CC[CH](C)[CH](CCC[CH]1CC[CH]2C[CH](CC[C]2(C)C1)OC(=O)CCC(O)=O)[CH](C)CCCC(C)C;CCC(C)C(CCCC1CCC2CC(CCC2(C1)C)OC(=O)CCC(=O)O)C(C)CCCC(C)C","InChI=1S/C31H56O4/c1-7-23(4)28(24(5)11-8-10-22(2)3)13-9-12-25-14-15-26-20-27(18-19-31(26,6)21-25)35-30(34)17-16-29(32)33/h22-28H,7-21H2,1-6H3,(H,32,33)/t23-,24+,25-,26-,27-,28-,31+/m0/s1","","2023-09-02","2024-04-05","4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid","2024-04-10"],["VXA","METHYLPHOSPHONIC ACID ESTER GROUP","C H4 O2 P","[O-]P(=O)C;C[PH]([O-])=O;CP(=O)[O-]","InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1","","1999-07-08","2024-09-27","methylphosphinate",""],["DQR","beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside","C18 H32 O16","O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)COC3(OC(CO)C(O)C3O)CO;OC[CH]1O[CH](O[C]2(CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)CO)O)O)O)O","InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1","1-KESTOSE","2005-08-29","2020-07-17","beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside",""],["DQS","5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","C17 H20 N6 O","c3nn2C(=O)C(C(C)C)=C(c1cnn(c1)C(C)(C)C)Nc2c3C#N;CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(c3)C(C)(C)C;CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C","InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3","5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2017-11-01","2021-03-13","5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile","2018-03-28"],["VXB","5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide","C9 H11 Br N2 O2","O=C(NCCOC)c1cncc(Br)c1;COCCNC(=O)c1cncc(Br)c1;COCCNC(=O)c1cc(cnc1)Br","InChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13)","","2022-09-02","2022-10-28","5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide","2022-11-02"],["VXC","4-bromanylbenzenesulfonic acid","C6 H5 Br O3 S","O[S](=O)(=O)c1ccc(Br)cc1;c1cc(ccc1S(=O)(=O)O)Br","InChI=1S/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)","","2023-04-12","2024-01-19","4-bromanylbenzenesulfonic acid","2024-01-24"],["DQT","methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside","C23 H27 N O7","O=C(c1ccc(cc1)C)NC3C(O)C(OC(OC)C3OC(=O)c2ccc(cc2)C)CO;CO[CH]1O[CH](CO)[CH](O)[CH](NC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3ccc(C)cc3;Cc1ccc(cc1)C(=O)NC2C(C(OC(C2OC(=O)c3ccc(cc3)C)OC)CO)O","InChI=1S/C23H27NO7/c1-13-4-8-15(9-5-13)21(27)24-18-19(26)17(12-25)30-23(29-3)20(18)31-22(28)16-10-6-14(2)7-11-16/h4-11,17-20,23,25-26H,12H2,1-3H3,(H,24,27)/t17-,18+,19+,20+,23-/m1/s1","methyl 3-deoxy-2-O-4-toluoyl-3-(4-toluoyl)amino-beta-D-talopyranoside","2011-08-31","2020-06-17","methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside",""],["VXD","N-(3-chloro-2-methylphenyl)glycinamide","C9 H11 Cl N2 O","N(C(=O)CN)c1cccc(c1C)Cl;Cc1c(Cl)cccc1NC(=O)CN;Cc1c(cccc1Cl)NC(=O)CN","InChI=1S/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)","","2020-09-17","2020-09-25","N-(3-chloro-2-methylphenyl)glycinamide","2020-09-30"],["DQU","2,6-DIAMINO-3H-QUINAZOLIN-4-ONE","C8 H8 N4 O","n2c1c(cc(cc1)N)c(O)nc2N;Nc1ccc2nc(N)nc(O)c2c1;c1cc2c(cc1N)c(nc(n2)N)O","InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13)","2,6-DIAMINOQUINAZOLIN-4(3H)-ONE","2003-08-07","2021-03-13","2,6-diaminoquinazolin-4-ol",""],["DQV","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","C22 H28 N6 O14 P2","O=P(O)(OP(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(C3O)O)OCC5C(O)C(C(c4cccc(c4)C(=O)N)O5)O;NC(=O)c1cccc(c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O;c1cc(cc(c1)C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O","InChI=1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1","","2017-11-01","2018-02-23","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2018-02-28"],["VXE","N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine","C21 H20 N2 O4","CCc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O;CCc1ccc(cc1)C(=O)N[CH](CC2=CC(=O)Nc3ccccc23)C(O)=O;CCc1ccc(cc1)C(=O)NC(CC2=CC(=O)Nc3c2cccc3)C(=O)O","InChI=1S/C21H20N2O4/c1-2-13-7-9-14(10-8-13)20(25)23-18(21(26)27)11-15-12-19(24)22-17-6-4-3-5-16(15)17/h3-10,12,18H,2,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1","","2023-09-19","2024-02-02","N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine","2024-02-07"],["DQW","(2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol","C6 H14 O3","C[CH](O)COC[CH](C)O;CC(COCC(C)O)O","InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1","","2018-01-26","2018-02-09","(2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol","2018-02-14"],["VXF","1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine","C10 H15 N3 O","NCc1cc(ncc1)N1CCOCC1;NCc1ccnc(c1)N2CCOCC2;c1cnc(cc1CN)N2CCOCC2","InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2","","2022-09-02","2022-10-28","1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine","2022-11-02"],["VXG","(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid","C13 H15 N O3","N2(C(C)=O)CC(c1ccccc1)C(C2)C(=O)O;CC(=O)N1C[CH]([CH](C1)c2ccccc2)C(O)=O;CC(=O)N1CC(C(C1)C(=O)O)c2ccccc2","InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1","","2020-09-17","2021-01-19","(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid","2020-09-30"],["DQX","8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline","C27 H28 F2 N6 O","Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6;c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F","InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2","","2009-11-25","2011-06-04","4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine",""],["VXH","pyridine-3-sulfonic acid","C5 H5 N O3 S","O[S](=O)(=O)c1cccnc1;c1cc(cnc1)S(=O)(=O)O","InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)","","2023-04-12","2024-01-19","pyridine-3-sulfonic acid","2024-01-24"],["DQY","3-(dimethyl-lambda~4~-sulfanyl)propanoic acid","C5 H12 O2 S","O=C(O)CCS(C)C;C[SH](C)CCC(O)=O;CS(C)CCC(=O)O","InChI=1S/C5H12O2S/c1-8(2)4-3-5(6)7/h8H,3-4H2,1-2H3,(H,6,7)","","2011-08-25","2011-12-23","3-(dimethyl-lambda~4~-sulfanyl)propanoic acid",""],["VXI","3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one","C28 H38 N2 O5","COc1ccc(CCN2CCC[CH](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC;COc1ccc(cc1OC)CCN2CCCC(C2)CN3CCc4cc(c(cc4CC3=O)OC)OC","InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1","Cilobradine","2023-09-02","2024-04-05","3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one","2024-04-10"],["DQZ","3-(4-bromophenyl)propanoic acid","C9 H9 Br O2","OC(=O)CCc1ccc(Br)cc1;c1cc(ccc1CCC(=O)O)Br","InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)","","2018-01-26","2018-05-11","3-(4-bromophenyl)propanoic acid","2018-05-16"],["DR0","N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-1-AMINIUM","C9 H22 N O","OC[N+](CCCCCC)(C)C;CCCCCC[N+](C)(C)CO;CCCCCC[N+](C)(C)CO","InChI=1S/C9H22NO/c1-4-5-6-7-8-10(2,3)9-11/h11H,4-9H2,1-3H3/q+1","","2005-10-07","2011-06-04","N-(hydroxymethyl)-N,N-dimethylhexan-1-aminium",""],["VXJ","N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","C19 H16 Cl F N4 O","c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F;Fc1ccc(NC(=O)N2CCc3n[nH]c(c3C2)c4ccccc4)cc1Cl;c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F","InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24)","","2020-09-18","2021-07-23","N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide","2021-07-28"],["DR1","5-METHYL-5H-INDOLO[3,2-B]QUINOLINE","C16 H12 N2","N2=C1C(C=CC=C1)=C4C2=Cc3ccccc3N4C;Cn1c2ccccc2cc3nc4ccccc4c13;Cn1c2ccccc2cc-3nc4ccccc4c13","InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3","CRYPTOLEPINE","2001-11-02","2020-06-17","5-methyl-5H-indolo[3,2-b]quinoline",""],["VXK","5-bromo-N-propylthiophene-3-carboxamide","C8 H10 Br N O S","O=C(NCCC)c1csc(Br)c1;CCCNC(=O)c1csc(Br)c1;CCCNC(=O)c1cc(sc1)Br","InChI=1S/C8H10BrNOS/c1-2-3-10-8(11)6-4-7(9)12-5-6/h4-5H,2-3H2,1H3,(H,10,11)","","2022-09-02","2022-10-28","5-bromo-N-propylthiophene-3-carboxamide","2022-11-02"],["VXL","(3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","C31 H43 N3 O10 S","O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2C3C(OCC(=O)NC)COC3OC2)Cc4ccccc4;CNC(=O)CO[CH]1CO[CH]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC","InChI=1S/C31H43N3O10S/c1-20(2)15-34(45(38,39)23-12-10-22(40-4)11-13-23)16-25(35)24(14-21-8-6-5-7-9-21)33-31(37)44-27-18-43-30-29(27)26(17-42-30)41-19-28(36)32-3/h5-13,20,24-27,29-30,35H,14-19H2,1-4H3,(H,32,36)(H,33,37)/t24-,25+,26-,27-,29-,30+/m0/s1","","2015-02-05","2015-05-01","(3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate","2015-05-06"],["DR2","6-DEOXY-ALPHA-L-IDOPYRANOSYL-(1->2)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-2-(ACETYLAMINO)-2-DEOXY-BETA-L-GULOPYRANOSE","C20 H35 N O15","O=C(NC3C(O)C(OC2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO)C(OC3O)CO)C;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](O)[CH](NC(C)=O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3O)NC(=O)C)O)CO)CO)O)O)O)O)O","InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1","H TYPE II TRISACCHARIDE","2005-05-11","2020-07-17","6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose",""],["VXM","4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","C15 H11 F N2 O3","C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O;Oc1ccc(F)cc1CNc2cccc3C(=O)NC(=O)c23;c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O","InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)","","2020-09-20","2020-12-11","4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","2020-12-16"],["DR3","6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose","C20 H35 N O15","O=C(NC3C(OC2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO)C(O)C(OC3O)CO)C;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](O)[CH](CO)O[CH](O)[CH]3NC(C)=O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O","InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1","H TYPE I TRISACCHARIDE","2005-05-11","2020-07-17","6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose",""],["VXN","4-chloranylbenzenesulfonic acid","C6 H5 Cl O3 S","O[S](=O)(=O)c1ccc(Cl)cc1;c1cc(ccc1S(=O)(=O)O)Cl","InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)","","2023-04-12","2024-01-19","4-chloranylbenzenesulfonic acid","2024-01-24"],["DR4","METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATE","C16 H30 O8","O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO;COC(=O)CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O","InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1","GALACTOSE GREASE","2005-05-13","2020-06-17","methyl 9-(beta-D-galactopyranosyloxy)nonanoate",""],["VXO","5-[(2S)-2-[[2-(1H-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid","C25 H28 N2 O5","O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)Cc4c3ccccc3nc4;CC(C)C[CH](CNC(=O)Cc1c[nH]c2ccccc12)Cc3ccc4OCOc4c3C(O)=O;CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4","InChI=1S/C25H28N2O5/c1-15(2)9-16(10-17-7-8-21-24(32-14-31-21)23(17)25(29)30)12-27-22(28)11-18-13-26-20-6-4-3-5-19(18)20/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1","","2013-12-22","2014-04-28","6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid","2014-01-08"],["DR5","METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-RIBO-HEXOPYRANOSIDE","C13 H24 O11","OC2C(O)C(OC1OC(CO)C(O)C(O)C1O)C(OC2OC)CO;CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1","BETA-METHYLLACTOSIDE","2005-07-18","2020-07-17","methyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside",""],["DR6","ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)","C74 H142 O31","OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C;CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1;CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3","OCTYLPHENOXYPOLYETHOXYETHANOL; ALKYLPHENOL-HYDROXYPOLYOXYETHEYLENE; TRITON X-305; ANAPOE-305","2005-03-16","2020-05-27","89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol",""],["VXP","4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","C15 H11 Cl N2 O3","c1c(cc(O)cc1CNc3cccc2C(NC(=O)c23)=O)Cl;Oc1cc(Cl)cc(CNc2cccc3C(=O)NC(=O)c23)c1;c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O","InChI=1S/C15H11ClN2O3/c16-9-4-8(5-10(19)6-9)7-17-12-3-1-2-11-13(12)15(21)18-14(11)20/h1-6,17,19H,7H2,(H,18,20,21)","","2020-09-20","2020-12-11","4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione","2020-12-16"],["VXQ","1-(2,3-dihydro-1-benzofuran-5-yl)methanamine","C9 H11 N O","O2c1ccc(cc1CC2)CN;NCc1ccc2OCCc2c1;c1cc2c(cc1CN)CCO2","InChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2","","2011-12-09","2012-02-03","1-(2,3-dihydro-1-benzofuran-5-yl)methanamine",""],["DR7","(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,\n6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER","C38 H52 N6 O7","O=C(OC)NC(C(=O)NC(Cc1ccccc1)C(O)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C;COC(=O)N[CH](C(=O)N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[CH](NC(=O)OC)C(C)(C)C)C(C)(C)C;CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC","InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1","ATAZANAVIR; METHYL\n[(1S,4S,5S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,7,8,11-TETRAAZATET\nRADEC-1-YL]CARBAMATE","2005-09-26","2020-06-17","methyl [(1S,4S,5S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,7,8,11-tetraazatetradec-1-yl]carbamate (non-preferred name)",""],["DR8","N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-AMINIUM","C10 H12 N","C(C#CC#C[N+](C)(C)C)#CC;CC#CC#CC#C[N+](C)(C)C;CC#CC#CC#C[N+](C)(C)C","InChI=1S/C10H12N/c1-5-6-7-8-9-10-11(2,3)4/h1-4H3/q+1","","2005-10-04","2011-06-04","N,N,N-trimethylhepta-1,3,5-triyn-1-aminium",""],["VXR","(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE","C18 H15 F N6 O2 S","Fc1ccc(cc1)C(c2nnnn2)NC3=NC(=O)C(S3)=Cc4oc(cc4)CC;CCc1oc(cc1)C=C2SC(=NC2=O)N[CH](c3[nH]nnn3)c4ccc(F)cc4;CCc1ccc(o1)C=C2C(=O)N=C(S2)NC(c3ccc(cc3)F)c4[nH]nnn4","InChI=1S/C18H15FN6O2S/c1-2-12-7-8-13(27-12)9-14-17(26)21-18(28-14)20-15(16-22-24-25-23-16)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,20,21,26)(H,22,23,24,25)/b14-9-/t15-/m0/s1","","2006-08-15","2011-06-04","(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-2-{[(S)-(4-fluorophenyl)(1H-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5H)-one",""],["VXS","4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","C17 H16 N2 O3","C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O;Oc1ccccc1CCCNc2cccc3C(=O)NC(=O)c23;c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O","InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22)","","2020-09-20","2020-12-11","4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","2020-12-16"],["DR9","1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL","C40 H75 O10 P","O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCC","InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1","(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL\n(9E)-OCTADEC-9-ENOATE","2005-02-25","2020-06-17","(2R)-3-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate",""],["VXT","2-(hydroxymethyl)-1-[6-[4-[[3-[[3-[6-[(2~{S},3~{R},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxy]-2,2-bis[[1-[6-[2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxymethyl]propoxy]methyl]-1,2,3-triazol-1-yl]hexyl]pyrrolidine-3,4-diol","C61 H108 N16 O16","OCC1C(O)C(O)CN1CCCCCCn2cc(COCC(COCc3cn(CCCCCCN4CC(O)C(O)C4CO)nn3)(COCc5cn(CCCCCCN6CC(O)C(O)C6CO)nn5)COCc7cnnn7CCCCCCN8C[CH](O)[CH](O)[CH]8CO)nn2;c1c(n(nn1)CCCCCCN2CC(C(C2CO)O)O)COCC(COCc3cn(nn3)CCCCCCN4CC(C(C4CO)O)O)(COCc5cn(nn5)CCCCCCN6CC(C(C6CO)O)O)COCc7cn(nn7)CCCCCCN8CC(C(C8CO)O)O","InChI=1S/C61H108N16O16/c78-33-49-57(86)53(82)29-70(49)17-9-1-5-13-21-74-26-45(63-67-74)37-90-41-61(42-91-38-46-27-75(68-64-46)22-14-6-2-10-18-71-30-54(83)58(87)50(71)34-79,43-92-39-47-28-76(69-65-47)23-15-7-3-11-19-72-31-55(84)59(88)51(72)35-80)44-93-40-48-25-62-66-77(48)24-16-8-4-12-20-73-32-56(85)60(89)52(73)36-81/h25-28,49-60,78-89H,1-24,29-44H2/t49?,50?,51?,52-,53?,54?,55?,56-,57?,58?,59?,60+,61?/m0/s1","","2023-09-20","2024-09-27","2-(hydroxymethyl)-1-[6-[4-[[3-[[3-[6-[(2~{S},3~{R},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxy]-2,2-bis[[1-[6-[2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxymethyl]propoxy]methyl]-1,2,3-triazol-1-yl]hexyl]pyrrolidine-3,4-diol","2024-10-02"],["DRA","11-DEOXY-BETA-RHODOMYCIN","C40 H51 N O14","O=C2c1cc7c(c(O)c1C(=O)c3c2cccc3O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7O;CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O[CH]3C[CH](O)[CH](O[CH]4CCC(=O)[CH](C)O4)[CH](C)O3)[CH](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[CH]1O;CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","InChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17-,18+,19+,23+,26+,27+,28+,29+,30+,37-,38+,39-,40-/m1/s1","","2004-09-24","2011-06-04","(1S,3R,4R)-3-ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside",""],["VXU","3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine","C10 H13 N O2","O1c2c(OCCC1)cccc2CN;NCc1cccc2OCCCOc12;c1cc(c2c(c1)OCCCO2)CN","InChI=1S/C10H13NO2/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9/h1,3-4H,2,5-7,11H2","CC00413","2011-12-08","2021-03-01","1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanamine",""],["DRB","DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)","C50 H57 N7 O Ru","O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6ccccn67)(n8ccccc8c9ccccn9%10)n%11cc%12;CC1=CC2=C3C=C(CCCCCCCCC(=O)NC4C5CC6CC(C5)CC4C6)C=CN3[Ru++]78(N9C=CC=CC9=C%10C=CC=CN7%10)(N%11C=CC=CC%11=C%12C=CC=CN8%12)N2C=C1;CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3","InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-14,20,23-26,30H,2-9,15-19H2,1H3,(H,33,34);2*1-8H;/q3*-2;+8/b28-27-;2*10-9-;/t23-,24+,25-,26+,30-;;;","","1999-10-06","2011-06-04","bis[1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~][9-(4'-methyl-1H,1'H-2,2'-bipyridin-4-yl-kappa~2~N~1~,N~1'~)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]nonanamidato(2-)]ruthenium(2+)",""],["VXV","4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","C17 H15 Cl N2 O3","C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl;Oc1cc(Cl)cc(CCCNc2cccc3C(=O)NC(=O)c23)c1;c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O","InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23)","","2020-09-20","2020-12-11","4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione","2020-12-16"],["DRC","9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE","C20 H22 N4 O2","O=C(NCCN1CCOCC1)c4c3nc2ccccc2c(N)c3ccc4;Nc1c2ccccc2nc3c(cccc13)C(=O)NCCN4CCOCC4;c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N","InChI=1S/C20H22N4O2/c21-18-14-4-1-2-7-17(14)23-19-15(18)5-3-6-16(19)20(25)22-8-9-24-10-12-26-13-11-24/h1-7H,8-13H2,(H2,21,23)(H,22,25)","","2001-11-13","2011-06-04","9-amino-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide",""],["VXW","N-[(4-methylphenyl)methyl]-3-oxobutanamide","C12 H15 N O2","CC(=O)CC(=O)NCc1ccc(C)cc1;CC(=O)CC(=O)NCc1ccc(C)cc1;Cc1ccc(cc1)CNC(=O)CC(=O)C","InChI=1S/C12H15NO2/c1-9-3-5-11(6-4-9)8-13-12(15)7-10(2)14/h3-6H,7-8H2,1-2H3,(H,13,15)","","2022-09-02","2022-10-28","N-[(4-methylphenyl)methyl]-3-oxobutanamide","2022-11-02"],["DRD","2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID","C35 H35 N O5","O=C(O)C(Oc1cccc2c1ccn2CCCOc5ccc4cc(C(=O)c3ccccc3)ccc4c5CCC)(C)C;CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc4cc(ccc14)C(=O)c5ccccc5;CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5","InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39)","2-{1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-4-YLOXY}-2-METHYLPROPIONIC ACID","2006-08-04","2020-06-17","2-methyl-2-{[1-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propyl)-1H-indol-4-yl]oxy}propanoic acid",""],["VXX","METHYL VANILLATE","C9 H10 O4","O=C(OC)c1cc(OC)c(O)cc1;COC(=O)c1ccc(O)c(OC)c1;COc1cc(ccc1O)C(=O)OC","InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3","","2006-10-19","2011-11-17","methyl 4-hydroxy-3-methoxybenzoate",""],["DRE","N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE","C12 H29 N3","NCCCCCCNCCCCCCN;NCCCCCCNCCCCCCN;C(CCCNCCCCCCN)CCN","InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2","BIS(HEXAMETHYLENE)TRIAMINE","2005-04-18","2021-03-01","N-(6-aminohexyl)hexane-1,6-diamine",""],["DRF","(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID","C25 H25 N O5","O=C(O)C(OCC)Cc4ccc(OCCN1c3c(Oc2c1cccc2)cccc3)cc4;CCO[CH](Cc1ccc(OCCN2c3ccccc3Oc4ccccc24)cc1)C(O)=O;CCOC(Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O","InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1","RAGAGLITAZAR","2003-02-25","2021-03-01","(2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid",""],["VXY","2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate","C20 H25 F3 N8 O4","c1c(cnc(n1)N)c3c(c(nc(N2CCOCC2)n3)NC4(CCN(C(OCC(F)F)=O)C4)CO)F;Nc1ncc(cn1)c2nc(nc(N[C]3(CO)CCN(C3)C(=O)OCC(F)F)c2F)N4CCOCC4;c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)NC4(CCN(C4)C(=O)OCC(F)F)CO)F","InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1","","2020-09-21","2021-01-01","2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate","2021-01-06"],["DRG","5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE","C12 H11 N3","n1nc(N)cc3c1c2ccccc2CC3;Nc1cc2CCc3ccccc3c2nn1;c1ccc-2c(c1)CCc3c2nnc(c3)N","InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14)","","2003-04-24","2021-10-22","5,6-dihydrobenzo[h]cinnolin-3-amine",""],["VXZ","2-azanyl-5-sulfo-benzoic acid","C7 H7 N O5 S","Nc1ccc(cc1C(O)=O)[S](O)(=O)=O;c1cc(c(cc1S(=O)(=O)O)C(=O)O)N","InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)","","2023-04-12","2024-01-19","2-azanyl-5-sulfo-benzoic acid","2024-01-24"],["VY0","macrocyclic inhibitor","C17 H19 N7 O","O=C1NCCCCCNc2nc(Nc3cc1[nH]n3)c4ccccc4n2;c1ccc2c(c1)c3nc(n2)NCCCCCNC(=O)c4cc(n[nH]4)N3","InChI=1S/C17H19N7O/c25-16-13-10-14(24-23-13)21-15-11-6-2-3-7-12(11)20-17(22-15)19-9-5-1-4-8-18-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,25)(H3,19,20,21,22,23,24)","","2023-09-20","2023-11-03","","2023-11-08"],["DRH","(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID","C27 H36 N2 O4","O=C(O)C(Oc1ccc(cc1)CCN(c2nc3ccccc3o2)CCCCCCC)(C)CC;CCCCCCCN(CCc1ccc(O[C](C)(CC)C(O)=O)cc1)c2oc3ccccc3n2;CCCCCCCN(CCc1ccc(cc1)OC(C)(CC)C(=O)O)c2nc3ccccc3o2","InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1","","2006-08-23","2011-06-04","(2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid",""],["VY1","(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide","C19 H27 N9 O3 S","c1c(cnc(n1)N)c5c2c(N(CC2)C3CCN(C3)S(NC)(=O)=O)nc(N4CCOCC4)n5;CN[S](=O)(=O)N1CC[CH](C1)N2CCc3c2nc(nc3c4cnc(N)nc4)N5CCOCC5;CNS(=O)(=O)N1CCC(C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5","InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1","","2020-09-21","2021-01-01","(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide","2021-01-06"],["DRI","2,6-dideoxy-4-O-methyl-beta-D-glucopyranose","C7 H14 O4","O(C1C(OC(O)CC1O)C)C;CO[CH]1[CH](C)O[CH](O)C[CH]1O;CC1C(C(CC(O1)O)O)OC","InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1","4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE; 4-O-METHYL-2,6-DIDEOXY-BETA-D-MANNOSE; 2,6-dideoxy-4-O-methyl-beta-D-glucose;\n2,6-dideoxy-4-O-methyl-D-glucose; 2,6-dideoxy-4-O-methyl-glucose","1999-07-08","2020-07-17","2,6-dideoxy-4-O-methyl-beta-D-arabino-hexopyranose",""],["DRJ","(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID","C27 H36 N2 O4","O=C(O)C(Oc1ccc(cc1)CCN(c2nc3ccccc3o2)CCCCCCC)(C)CC;CCCCCCCN(CCc1ccc(O[C](C)(CC)C(O)=O)cc1)c2oc3ccccc3n2;CCCCCCCN(CCc1ccc(cc1)OC(C)(CC)C(=O)O)c2nc3ccccc3o2","InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1","","2006-08-24","2011-06-04","(2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid",""],["VY2","ethyl (3-methylanilino)(oxo)acetate","C11 H13 N O3","O=C(Nc1cc(C)ccc1)C(=O)OCC;CCOC(=O)C(=O)Nc1cccc(C)c1;CCOC(=O)C(=O)Nc1cccc(c1)C","InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,12,13)","","2022-09-02","2022-10-28","ethyl (3-methylanilino)(oxo)acetate","2022-11-02"],["VY3","~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide","C42 H62 Cl N7 O8","CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5;CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCC4)c5ccc(cc5)Cl","InChI=1S/C42H62ClN7O8/c1-33(51)45-15-21-54-23-25-56-27-29-58-31-30-57-28-26-55-24-22-53-20-10-39(52)50-18-16-49(17-19-50)36-8-9-37-38(32-36)47-41(48-40(37)46-14-13-44)42(11-2-3-12-42)34-4-6-35(43)7-5-34/h4-9,32H,2-3,10-31,44H2,1H3,(H,45,51)(H,46,47,48)","","2023-04-12","2023-05-19","~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide","2023-05-24"],["DRK","3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one","C20 H19 N3 O4","O=C2N=C1C=CC=CC1=C2c4c(NOCCC(O)CO)c3ccccc3n4;OC[CH](O)CCONc1c([nH]c2ccccc12)C3=C4C=CC=CC4=NC3=O;c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCCC(CO)O","InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2/t12-/m0/s1","Indirubin_E804","2008-09-10","2020-06-17","3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one",""],["VY4","tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate","C24 H34 N8 O3","c1c(cnc(n1)N)c5c2c(N(CC2)C3(CCN(C(OC(C)(C)C)=O)C3)C)nc(N4CCOCC4)n5;CC(C)(C)OC(=O)N1CC[C](C)(C1)N2CCc3c2nc(nc3c4cnc(N)nc4)N5CCOCC5;CC1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5","InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1","","2020-09-21","2021-01-01","tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate","2021-01-06"],["DRL","2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one","C8 H10 N2 O S","O=C1C2=C(N=C(N1)C)CCSC2;CC1=NC2=C(CSCC2)C(=O)N1;CC1=NC2=C(CSCC2)C(=O)N1","InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)","","2008-01-31","2011-06-04","2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one",""],["DRM","{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID","C10 H15 N2 O6 P","O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O;O[P](O)(=O)CO[CH]1CCC[CH]1N2C=CC(=O)NC2=O;C1CC(C(C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O","InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1","1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL; PMCP-U","2003-09-17","2020-05-27","({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid",""],["VY5","2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose","C16 H28 N2 O11","CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(CO)OC1O;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)[CH]1O;CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O","InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16+/m1/s1","N,N'-Diacetylchitobiose","2022-05-20","2023-09-18","2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose","2022-06-22"],["VY6","2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid","C10 H13 N O4","O=C(O)c1ccoc1CN1CCOCC1;OC(=O)c1ccoc1CN2CCOCC2;c1coc(c1C(=O)O)CN2CCOCC2","InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)","","2022-09-02","2022-10-28","2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid","2022-11-02"],["DRN","BISINDOLYLMALEIMIDE IX","C25 H23 N5 O2 S","O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCSC(=[N@H])N)C(=O)N5;Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45;[H]N=C(N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C","InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)","","2007-07-31","2011-06-04","3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl imidothiocarbamate",""],["VY7","1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid","C20 H24 N6 O4","C(Oc1c(cccc1)N2CCC(CC2)C(=O)O)C(N3Cc4c(C3)nc(N)nc4N)=O;Nc1nc(N)c2CN(Cc2n1)C(=O)COc3ccccc3N4CCC(CC4)C(O)=O;c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3","InChI=1S/C20H24N6O4/c21-18-13-9-26(10-14(13)23-20(22)24-18)17(27)11-30-16-4-2-1-3-15(16)25-7-5-12(6-8-25)19(28)29/h1-4,12H,5-11H2,(H,28,29)(H4,21,22,23,24)","","2020-09-21","2021-03-12","1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid","2021-03-17"],["DRO","1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide","C34 H30 Cl N5 O2","O=C(c1ccccc1n2nc(c(Cl)c2C)C(=O)N(c3ccccc3)c4ccccc4)N6C(CN)Cc5ccccc5C6;Cc1n(nc(c1Cl)C(=O)N(c2ccccc2)c3ccccc3)c4ccccc4C(=O)N5Cc6ccccc6C[CH]5CN;Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4CC3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl","InChI=1S/C34H30ClN5O2/c1-23-31(35)32(34(42)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27)37-40(23)30-19-11-10-18-29(30)33(41)38-22-25-13-9-8-12-24(25)20-28(38)21-36/h2-19,28H,20-22,36H2,1H3/t28-/m0/s1","","2008-11-13","2011-06-04","1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide",""],["VY8","1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea","C12 H19 N3 O S","COc1ccccc1NC(=S)NCCN(C)C;CN(C)CCNC(=S)Nc1ccccc1OC","InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)","","2023-04-13","2024-04-19","1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea","2024-04-24"],["DRP","2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-MONOPHOSPHATE","C10 H14 N O6 P","O=P(OCC2OC(c1cccnc1)CC2O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2cccnc2;c1cc(cnc1)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H14NO6P/c12-8-4-9(7-2-1-3-11-5-7)17-10(8)6-16-18(13,14)15/h1-3,5,8-10,12H,4,6H2,(H2,13,14,15)/t8-,9+,10+/m0/s1","","2001-06-25","2011-06-04","(1R)-1,4-anhydro-2-deoxy-5-O-phosphono-1-pyridin-3-yl-D-erythro-pentitol",""],["VY9","(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid","C12 H23 N O4","CCCCCCC[CH](CC(O)=O)NCC(O)=O;CCCCCCCC(CC(=O)O)NCC(=O)O","InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1","","2023-09-03","2025-07-03","(3~{R})-3-(2-hydroxy-2-oxoethylamino)decanoic acid","2024-04-17"],["DRQ","(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL","C22 H30 O2","Oc1cc4c(cc1C=C/CC)C3CCC2(C(CCC2O)C3CC4)C;CCC=Cc1cc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCc2cc1O;CCC=Cc1cc2c(cc1O)CCC3C2CCC4(C3CCC4O)C","InChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4-/t16-,17+,19-,21-,22-/m0/s1","","2006-03-24","2012-01-05","(9beta,13alpha,17beta)-2-[(1Z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol",""],["DRR","(9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide","C37 H51 N5 O7","O=C3NC(C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NCCCOc1ccc(cc1)C2)C(C)CC)Cc4ccc(OCCCC3)cc4)C(C)C;CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC(=O)[CH]3Cc4ccc(OCCCCC(=O)N[CH](C(C)C)C(=O)N3)cc4;CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NC(=O)C3Cc4ccc(cc4)OCCCCC(=O)NC(C(=O)N3)C(C)C","InChI=1S/C37H51N5O7/c1-5-24(4)33-36(46)38-18-8-20-49-28-16-12-26(13-17-28)22-30(35(45)42-33)39-34(44)29-21-25-10-14-27(15-11-25)48-19-7-6-9-31(43)41-32(23(2)3)37(47)40-29/h10-17,23-24,29-30,32-33H,5-9,18-22H2,1-4H3,(H,38,46)(H,39,44)(H,40,47)(H,41,43)(H,42,45)/t24-,29-,30-,32-,33-/m0/s1","","2008-01-15","2011-06-04","(9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide",""],["VYA","2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","C17 H21 N3 O4","CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;CC(C)CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N","InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1","PEPTIDE DERIVED CHROMOPHORE","2017-08-09","2024-09-27","2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid","2017-12-06"],["VYB","2-{[(3-bromophenyl)methyl]amino}ethan-1-ol","C9 H12 Br N O","Brc1cc(CNCCO)ccc1;OCCNCc1cccc(Br)c1;c1cc(cc(c1)Br)CNCCO","InChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2","","2022-09-02","2022-10-28","2-{[(3-bromophenyl)methyl]amino}ethan-1-ol","2022-11-02"],["DRS","(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid","C19 H26 N2 O5","O=C(O)C2NC(=O)C(NC(=O)CCCCOc1ccc(cc1)C2)C(C)C;CC(C)[CH]1NC(=O)CCCCOc2ccc(C[CH](NC1=O)C(O)=O)cc2;CC(C)C1C(=O)NC(Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O","InChI=1S/C19H26N2O5/c1-12(2)17-18(23)20-15(19(24)25)11-13-6-8-14(9-7-13)26-10-4-3-5-16(22)21-17/h6-9,12,15,17H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-,17-/m0/s1","","2008-01-15","2011-06-04","(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid",""],["VYC","5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile","C29 H25 Cl F N3 O3","OCCNCc1ccc(OCc2cccc(c2Cl)c3ccccc3F)cc1OCc4cncc(c4)C#N;c1ccc(c(c1)c2cccc(c2Cl)COc3ccc(c(c3)OCc4cc(cnc4)C#N)CNCCO)F","InChI=1S/C29H25ClFN3O3/c30-29-23(4-3-6-26(29)25-5-1-2-7-27(25)31)19-36-24-9-8-22(17-33-10-11-35)28(13-24)37-18-21-12-20(14-32)15-34-16-21/h1-9,12-13,15-16,33,35H,10-11,17-19H2","","2023-04-13","2023-07-28","5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile","2023-08-02"],["DRT","2'-DEOXY-L-RIBO-FURANOSYL THYMINE-5'-MONOPHOSPHATE","C10 H15 N2 O8 P","O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1","","2000-09-27","2010-03-30","1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",""],["VYD","(3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide","C24 H37 Cl N4 O2","Clc3ccccc3N2C(=O)CN(CC1CNCC(C(=O)NCCC(C)C)C1)C(C2)(C)C;CC(C)CCNC(=O)[CH]1CNC[CH](C1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl;CC(C)CCNC(=O)C1CC(CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl","InChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1","","2012-10-11","2012-12-14","(3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide","2012-12-14"],["DRU","DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II)","C23 H19 N6 Ru","n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67;[Ru++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7;c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37","InChI=1S/2C10H8N2.C3H3N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3","","2011-10-25","2011-10-25","bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)",""],["VYE","(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide","C23 H35 Cl N4 O2","Clc3ccccc3N2C(=O)CN(C1CNCC(C(=O)NCCC(C)C)C1)C(C2)(C)C;CC(C)CCNC(=O)[CH]1CNC[CH](C1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl;CC(C)CCNC(=O)C1CC(CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl","InChI=1S/C23H35ClN4O2/c1-16(2)9-10-26-22(30)17-11-18(13-25-12-17)28-14-21(29)27(15-23(28,3)4)20-8-6-5-7-19(20)24/h5-8,16-18,25H,9-15H2,1-4H3,(H,26,30)/t17-,18+/m0/s1","","2012-10-11","2012-12-14","(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide","2012-12-14"],["DRV","[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate","C12 H17 N7 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CN;NCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CN)O)O)N","InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9+,12+/m0/s1","","2008-09-25","2011-06-04","[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate",""],["VYF","(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide","C27 H43 Cl N4 O2","Clc3ccccc3N2C(=O)CN(C1CNCC(C(=O)NC(CC(C)C)CC(C)C)C1)C(C2)(C)C;CC(C)CC(CC(C)C)NC(=O)[CH]1CNC[CH](C1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl;CC(C)CC(CC(C)C)NC(=O)C1CC(CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl","InChI=1S/C27H43ClN4O2/c1-18(2)11-21(12-19(3)4)30-26(34)20-13-22(15-29-14-20)32-16-25(33)31(17-27(32,5)6)24-10-8-7-9-23(24)28/h7-10,18-22,29H,11-17H2,1-6H3,(H,30,34)/t20-,22+/m0/s1","","2012-10-11","2012-12-14","(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide","2012-12-14"],["DRW","(2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C15 H26 N4 O6 S2","CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C;C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)CNS(=O)(=O)N","InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14+/m1/s1","Doripenem(open form, pyrroline tautomer form 2, SP3 connection to Thio as S isomer)","2009-08-24","2024-09-27","(2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid",""],["VYG","6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine","C20 H27 F3 N6 O2","C(C)c1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(C(F)(F)F)CC3;CCc1nc(N)nc(N)c1OCCCOc2ncccc2N3CCC(CC3)C(F)(F)F;CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F","InChI=1S/C20H27F3N6O2/c1-2-14-16(17(24)28-19(25)27-14)30-11-4-12-31-18-15(5-3-8-26-18)29-9-6-13(7-10-29)20(21,22)23/h3,5,8,13H,2,4,6-7,9-12H2,1H3,(H4,24,25,27,28)","","2020-09-21","2021-03-12","6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine","2021-03-17"],["DRX","[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID","C20 H15 Cl N O4 P S","O=C(Nc2cc1ccccc1cc2)C(c3c4cc(Cl)ccc4sc3)P(=O)(O)O;O[P](O)(=O)[CH](C(=O)Nc1ccc2ccccc2c1)c3csc4ccc(Cl)cc34;c1ccc2cc(ccc2c1)NC(=O)C(c3csc4c3cc(cc4)Cl)P(=O)(O)O","InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)/t19-/m0/s1","","2006-08-01","2011-06-04","[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid",""],["VYH","8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one","C30 H36 Cl N7 O2","Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCOCC5)nc4N(CCCCN)C3=O;Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCCN)NCCCN5CCOCC5","InChI=1S/C30H36ClN7O2/c1-21-6-4-7-27(35-21)22-8-9-24(26(31)19-22)25-18-23-20-34-30(33-11-5-12-37-14-16-40-17-15-37)36-28(23)38(29(25)39)13-3-2-10-32/h4,6-9,18-20H,2-3,5,10-17,32H2,1H3,(H,33,34,36)","","2023-09-20","2023-11-03","8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one","2023-11-08"],["DRY","[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID","C33 H31 N O5","O=C(c1ccccc1)c5cc4ccc(OCCCn3c2ccc(OCC(=O)O)cc2cc3)c(c4cc5)CCC;CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc4cc(ccc14)C(=O)c5ccccc5;CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5","InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)38-19-6-17-34-18-16-25-21-27(12-14-30(25)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36)","{1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-5-YLOXY}-ACETIC ACID","2006-08-09","2021-03-01","{[1-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propyl)-1H-indol-5-yl]oxy}acetic acid",""],["VYI","N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE","C21 H18 F2 N2 O3 S","Fc1ccc(cc1)[S](=O)(=O)N2CCOc3cccc(Nc4ccccc4F)c3C2;c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F","InChI=1S/C21H18F2N2O3S/c22-15-8-10-16(11-9-15)29(26,27)25-12-13-28-21-7-3-6-19(17(21)14-25)24-20-5-2-1-4-18(20)23/h1-11,24H,12-14H2","","2015-09-16","2015-11-20","N-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-6-amine","2015-11-25"],["DRZ","3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATE","C5 H11 O7 P","O=P(O)(O)OCC(O)C(O)CC=O;O[CH](CO[P](O)(O)=O)[CH](O)CC=O;C(C=O)C(C(COP(=O)(O)O)O)O","InChI=1S/C5H11O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h2,4-5,7-8H,1,3H2,(H2,9,10,11)/t4-,5+/m0/s1","","2002-07-18","2024-09-27","2-deoxy-5-O-phosphono-D-erythro-pentose",""],["VYJ","11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C36 H46 N8 O3","C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7;CCOc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7;CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C","InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)","","2020-09-21","2021-06-25","11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2021-06-30"],["DS0","[(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate","C3 H7 N2 O5 P","O=P(O)(OC1=NOCC1N)O;N[CH]1CON=C1O[P](O)(O)=O;C1C(C(=NO1)OP(=O)(O)O)N","InChI=1S/C3H7N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2H,1,4H2,(H2,6,7,8)/t2-/m1/s1","","2013-09-10","2015-01-16","(4R)-4-amino-4,5-dihydro-1,2-oxazol-3-yl dihydrogen phosphate","2015-01-21"],["DS1","2-aminopyrimidin-5-ol","C4 H5 N3 O","c1c(O)cnc(n1)N;Nc1ncc(O)cn1;c1c(cnc(n1)N)O","InChI=1S/C4H5N3O/c5-4-6-1-3(8)2-7-4/h1-2,8H,(H2,5,6,7)","","2017-11-02","2018-11-02","2-aminopyrimidin-5-ol","2018-11-07"],["VYK","N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide","C10 H13 Cl N2 O","Clc1cc(CN(C)CC(N)=O)ccc1;CN(CC(N)=O)Cc1cccc(Cl)c1;CN(Cc1cccc(c1)Cl)CC(=O)N","InChI=1S/C10H13ClN2O/c1-13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H2,12,14)","","2022-09-02","2022-10-28","N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide","2022-11-02"],["DS2","{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid","C27 H38 O5","O=C(O)COc1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC;CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(OCC(O)=O)c(C)c2;CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O","InChI=1S/C27H38O5/c1-8-27(9-2,21-11-13-23(19(4)15-21)32-17-25(29)30)20-10-12-22(18(3)14-20)31-16-24(28)26(5,6)7/h10-15,24,28H,8-9,16-17H2,1-7H3,(H,29,30)/t24-/m0/s1","","2011-06-07","2011-10-28","{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid",""],["VYM","(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone","C13 H16 N2 O","C(C1CC1)(=O)N3CCCc2ccc(cc23)N;Nc1ccc2CCCN(C(=O)C3CC3)c2c1;c1cc2c(cc1N)N(CCC2)C(=O)C3CC3","InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2","","2020-09-22","2020-12-04","(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone","2020-12-09"],["VYN","8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one","C26 H29 Cl N6 O3","Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O;Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC(CO)CO","InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32)","","2023-09-20","2023-11-03","8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one","2023-11-08"],["DS3","5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid","C30 H44 O5","O=C(O)CCCCOc1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC;CCC(CC)(c1ccc(OCCCCC(O)=O)c(C)c1)c2ccc(OC[CH](O)C(C)(C)C)c(C)c2;CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OCC(C(C)(C)C)O","InChI=1S/C30H44O5/c1-8-30(9-2,23-13-15-25(21(3)18-23)34-17-11-10-12-28(32)33)24-14-16-26(22(4)19-24)35-20-27(31)29(5,6)7/h13-16,18-19,27,31H,8-12,17,20H2,1-7H3,(H,32,33)/t27-/m0/s1","","2011-06-07","2011-10-28","5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid",""],["VYO","methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate","C5 H7 N3 O2 S2","O=C(OC)CSc1nnc(N)s1;COC(=O)CSc1sc(N)nn1;COC(=O)CSc1nnc(s1)N","InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)","","2022-09-02","2022-10-28","methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate","2022-11-02"],["DS4","[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid","C32 H31 F7 O3","Fc1cc(ccc1CC(=O)O)c2ccc(cc2C)C(c3ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(c3)C)(CC)CC;CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c2ccc(c(C)c2)c3ccc(CC(O)=O)c(F)c3;CCC(CC)(c1ccc(c(c1)C)C=CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O","InChI=1S/C32H31F7O3/c1-5-29(6-2,24-10-9-21(19(3)15-24)13-14-30(42,31(34,35)36)32(37,38)39)25-11-12-26(20(4)16-25)22-7-8-23(18-28(40)41)27(33)17-22/h7-17,42H,5-6,18H2,1-4H3,(H,40,41)/b14-13+","","2013-10-04","2013-11-08","[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid","2013-11-13"],["VYP","2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine","C12 H14 N6 O","c2cnc(N1CCOCC1)nc2c3cnc(nc3)N;Nc1ncc(cn1)c2ccnc(n2)N3CCOCC3;c1cnc(nc1c2cnc(nc2)N)N3CCOCC3","InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)","","2020-09-22","2021-01-01","2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine","2021-01-06"],["DS5","(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid","C29 H32 F6 O5","FC(F)(F)C(O)(C#Cc1ccc(cc1C)C(c2ccc(OCC(O)CCC(=O)O)c(c2)C)(CC)CC)C(F)(F)F;CCC(CC)(c1ccc(OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(C#CC(O)(C(F)(F)F)C(F)(F)F)c(C)c2;CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OCC(CCC(=O)O)O","InChI=1S/C29H32F6O5/c1-5-26(6-2,22-9-11-24(19(4)16-22)40-17-23(36)10-12-25(37)38)21-8-7-20(18(3)15-21)13-14-27(39,28(30,31)32)29(33,34)35/h7-9,11,15-16,23,36,39H,5-6,10,12,17H2,1-4H3,(H,37,38)/t23-/m0/s1","","2012-11-02","2013-11-08","(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid","2013-11-13"],["VYQ","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C28 H37 F N4 O4 S","C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3C)c4scnc4C;Cc1cc(ccc1C(C)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C3(CC3)F)O)c4c(ncs4)C","InChI=1S/C28H37FN4O4S/c1-15-11-18(22-17(3)30-14-38-22)7-8-20(15)16(2)31-24(35)21-12-19(34)13-33(21)25(36)23(27(4,5)6)32-26(37)28(29)9-10-28/h7-8,11,14,16,19,21,23,34H,9-10,12-13H2,1-6H3,(H,31,35)(H,32,37)/t16-,19+,21-,23+/m0/s1","","2023-04-13","2023-09-22","(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-09-27"],["DS6","(4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid","C31 H46 O5","O=C(O)CCC(O)COc1ccc(cc1C)C(c2ccc(c(c2)C)CCC(O)C(C)(C)C)(CC)CC;CCC(CC)(c1ccc(CC[CH](O)C(C)(C)C)c(C)c1)c2ccc(OC[CH](O)CCC(O)=O)c(C)c2;CCC(CC)(c1ccc(c(c1)C)CCC(C(C)(C)C)O)c2ccc(c(c2)C)OCC(CCC(=O)O)O","InChI=1S/C31H46O5/c1-8-31(9-2,24-12-10-23(21(3)18-24)11-16-28(33)30(5,6)7)25-13-15-27(22(4)19-25)36-20-26(32)14-17-29(34)35/h10,12-13,15,18-19,26,28,32-33H,8-9,11,14,16-17,20H2,1-7H3,(H,34,35)/t26-,28-/m0/s1","","2011-06-07","2011-10-28","(4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid",""],["VYR","N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide","C28 H33 Cl N4 O7 S2","Clc5sc(c1onc(c1)CC(C(=O)N2CCC(OC)CC2)NS(=O)(=O)c4cccc(N3C(=O)COCC3)c4CC)cc5;CCc1c(cccc1[S](=O)(=O)N[CH](Cc2cc(on2)c3sc(Cl)cc3)C(=O)N4CC[CH](CC4)OC)N5CCOCC5=O;CCc1c(cccc1S(=O)(=O)NC(Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O","InChI=1S/C28H33ClN4O7S2/c1-3-20-22(33-13-14-39-17-27(33)34)5-4-6-25(20)42(36,37)31-21(28(35)32-11-9-19(38-2)10-12-32)15-18-16-23(40-30-18)24-7-8-26(29)41-24/h4-8,16,19,21,31H,3,9-15,17H2,1-2H3/t21-/m0/s1","","2013-06-19","2014-09-05","N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-ethyl-3-(3-oxomorpholin-4-yl)benzenesulfonamide","2013-12-18"],["DS7","1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid","C8 H11 N O2","Cn1c(c(C(O)=O)cc1C)C;Cn1c(C)cc(C(O)=O)c1C;Cc1cc(c(n1C)C)C(=O)O","InChI=1S/C8H11NO2/c1-5-4-7(8(10)11)6(2)9(5)3/h4H,1-3H3,(H,10,11)","","2017-11-02","2018-11-02","1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid","2018-11-07"],["VYT","Azo-Combretastatin A4 (trans)","C16 H18 N2 O5","COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2;COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC","InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3/b18-17+","2-methoxy-5-[(E)-(3,4,5-trimethoxyphenyl)diazenyl]phenol","2023-09-20","2023-09-22","2-methoxy-5-[(~{E})-(3,4,5-trimethoxyphenyl)diazenyl]phenol","2023-09-27"],["DS8","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol","C13 H24 O7","C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)C2)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)CC2CC(OC(C2)O)CO)O)O)O","InChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1","","2018-01-29","2019-01-25","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol","2019-01-30"],["DS9","(2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one","C16 H15 F N4 O","C[C]12CCCN1CC3=NNC(=O)c4cc(F)cc5[nH]c2c3c45;CC12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F","InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1","","2019-08-23","2020-12-11","","2020-12-16"],["VYU","4-(4-ethylpiperazin-1-yl)aniline","C12 H19 N3","CCN1CCN(CC1)c1ccc(N)cc1;CCN1CCN(CC1)c2ccc(N)cc2;CCN1CCN(CC1)c2ccc(cc2)N","InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3","","2022-09-02","2022-10-28","4-(4-ethylpiperazin-1-yl)aniline","2022-11-02"],["DSA","4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC\nACID METHYL ESTER","C25 H25 N3 O7","O=C(N3c2cc(O)c1c(cc(C(=O)OC)n1)c2C(C)C3)c5cc4cc(OC)c(OC)c(OC)c4n5;COC(=O)c1[nH]c2c(O)cc3N(C[CH](C)c3c2c1)C(=O)c4[nH]c5c(c4)cc(OC)c(OC)c5OC;CC1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC","InChI=1S/C25H25N3O7/c1-11-10-28(16-9-17(29)21-13(19(11)16)8-15(27-21)25(31)35-5)24(30)14-6-12-7-18(32-2)22(33-3)23(34-4)20(12)26-14/h6-9,11,26-27,29H,10H2,1-5H3/t11-/m0/s1","(+)DUOCARMYCIN SA","1999-07-08","2020-06-17","methyl (8R)-4-hydroxy-8-methyl-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",""],["VYV","4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide","C15 H18 N4 O5 S2","c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O;N[S](=O)(=O)c1ccc(N[S](=O)(=O)CCNC(=O)Nc2ccccc2)cc1;c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20)","","2020-09-22","2020-12-18","4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide","2020-12-23"],["DSB","4,7-DIOXOSEBACIC ACID","C10 H14 O6","O=C(CCC(=O)CCC(=O)O)CCC(=O)O;OC(=O)CCC(=O)CCC(=O)CCC(O)=O;C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O","InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)","","2001-03-19","2024-09-27","4,7-dioxodecanedioic acid",""],["VYW","~{N}-[3-(cyclopropylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide","C22 H20 N4 O3","O=C(NC1CC1)c2cccc(NC(=O)C3=NN(Cc4ccccc4)C(=O)C=C3)c2;c1ccc(cc1)CN2C(=O)C=CC(=N2)C(=O)Nc3cccc(c3)C(=O)NC4CC4","InChI=1S/C22H20N4O3/c27-20-12-11-19(25-26(20)14-15-5-2-1-3-6-15)22(29)24-18-8-4-7-16(13-18)21(28)23-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,23,28)(H,24,29)","","2023-04-14","2023-08-04","~{N}-[3-(cyclopropylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide","2023-08-09"],["DSC","DODECANESULFONATE ION","C12 H25 O3 S","O=S(=O)([O-])CCCCCCCCCCCC;CCCCCCCCCCCC[S]([O-])(=O)=O;CCCCCCCCCCCCS(=O)(=O)[O-]","InChI=1S/C12H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1","","1999-07-08","2024-09-27","dodecane-1-sulfonate",""],["VYY","4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide","C16 H20 N4 O5 S2","N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2;Cc1ccc(NC(=O)NCC[S](=O)(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1;Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)","","2020-09-22","2020-12-18","4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide","2020-12-23"],["VYZ","N-(4-nitrophenyl)acetamide","C8 H8 N2 O3","O=C(C)Nc1ccc(cc1)[N+]([O-])=O;CC(=O)Nc1ccc(cc1)[N+]([O-])=O;CC(=O)Nc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)","","2022-09-02","2026-04-06","N-(4-nitrophenyl)acetamide","2022-11-02"],["DSD","7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID","C10 H20 N2 O4","O=C(O)CCCCCC(NC(=O)O)C(N)C;C[CH](N)[CH](CCCCCC(O)=O)NC(O)=O;CC(C(CCCCCC(=O)O)NC(=O)O)N","InChI=1S/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1","","1999-07-08","2011-06-04","(7R,8S)-8-amino-7-(carboxyamino)nonanoic acid",""],["VZ1","4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide","C17 H22 N4 O5 S2","c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C;Cc1cc(C)cc(NC(=O)NCC[S](=O)(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1;Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C","InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22)","","2020-09-23","2020-12-18","4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide","2020-12-23"],["DSE","N-METHYL-D-SERINE","C4 H9 N O3","O=C(O)C(NC)CO;CN[CH](CO)C(O)=O;CNC(CO)C(=O)O","InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m1/s1","","1999-07-08","2024-09-27","N-methyl-D-serine",""],["VZ2","8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one","C30 H34 Cl N7 O2","Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCCC5=O)nc4N(CCCCN)C3=O;Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCCN)NCCCN5CCCC5=O","InChI=1S/C30H34ClN7O2/c1-20-7-4-8-26(35-20)21-10-11-23(25(31)18-21)24-17-22-19-34-30(33-13-6-15-37-14-5-9-27(37)39)36-28(22)38(29(24)40)16-3-2-12-32/h4,7-8,10-11,17-19H,2-3,5-6,9,12-16,32H2,1H3,(H,33,34,36)","","2023-09-20","2023-11-03","8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one","2023-11-08"],["DSF","(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane","C3 H2 F6 O","difluoromethyl (1S)-1,2,2,2-tetrafluoroethyl ether;FC(F)O[CH](F)C(F)(F)F;C(C(F)(F)F)(OC(F)F)F","InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1","DESFLURANE","2010-10-25","2021-03-01","(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane",""],["DSG","D-ASPARAGINE","C4 H8 N2 O3","O=C(N)CC(N)C(=O)O;N[CH](CC(N)=O)C(O)=O;C(C(C(=O)O)N)C(=O)N","InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1","","2004-06-28","2023-11-03","D-asparagine",""],["VZ3","3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide","C8 H10 Br N O3 S","COc1ccc(cc1Br)S(=O)(=O)NC;CN[S](=O)(=O)c1ccc(OC)c(Br)c1;CNS(=O)(=O)c1ccc(c(c1)Br)OC","InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3","","2022-09-02","2022-10-28","3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide","2022-11-02"],["DSH","5'-S-(3-aminopropyl)-5'-thioadenosine","C13 H20 N6 O3 S","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCCN)N;NCCCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCCN)O)O)N","InChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1","","2011-05-12","2011-09-16","5'-S-(3-aminopropyl)-5'-thioadenosine",""],["VZ4","(9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate","C20 H27 N O4 S","O=S(=O)(Oc1cc3c(cc1CC)C2CCC4(C(=O)CCC4C2CC3)C)N;CCc1cc2[CH]3CC[C]4(C)[CH](CCC4=O)[CH]3CCc2cc1O[S](N)(=O)=O;CCc1cc2c(cc1OS(=O)(=O)N)CCC3C2CCC4(C3CCC4=O)C","InChI=1S/C20H27NO4S/c1-3-12-10-16-13(11-18(12)25-26(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h10-11,14-15,17H,3-9H2,1-2H3,(H2,21,23,24)/t14-,15+,17-,20-/m0/s1","","2010-09-08","2011-07-01","(9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate",""],["VZ5","(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate","C20 H29 N O4 S","O=S(=O)(Oc1cc4c(cc1CC)C3CCC2(C(CCC2O)C3CC4)C)N;CCc1cc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCc2cc1O[S](N)(=O)=O;CCc1cc2c(cc1OS(=O)(=O)N)CCC3C2CCC4(C3CCC4O)C","InChI=1S/C20H29NO4S/c1-3-12-10-16-13(11-18(12)25-26(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h10-11,14-15,17,19,22H,3-9H2,1-2H3,(H2,21,23,24)/t14-,15+,17-,19-,20-/m0/s1","","2010-09-08","2011-07-01","(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate",""],["DSI","4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER","C22 H19 N3 O4","O=C(OC)c2nc1c(O)cc3c(c1c2)C(CN3C(=O)c5cc4ccccc4n5)C;COC(=O)c1[nH]c2c(O)cc3N(C[CH](C)c3c2c1)C(=O)c4[nH]c5ccccc5c4;CC1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4","InChI=1S/C22H19N3O4/c1-11-10-25(21(27)15-7-12-5-3-4-6-14(12)23-15)17-9-18(26)20-13(19(11)17)8-16(24-20)22(28)29-2/h3-9,11,23-24,26H,10H2,1-2H3/t11-/m1/s1","(+)DUOCARMYCIN SA-INDOLE","1999-07-08","2020-06-17","methyl (8S)-4-hydroxy-6-(1H-indol-2-ylcarbonyl)-8-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",""],["VZ6","9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","C21 H23 F2 N9 O10 P2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](CO[P](O)(=O)O[CH]4[CH]3F)C[CH]5n6cnc7C(=O)NC=Nc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(CC(C5F)COP(=O)(O4)O)n6cnc7c6N=CNC7=O)O)F)N","InChI=1S/C21H23F2N9O10P2/c22-11-8-1-9(31-6-30-14-19(31)27-5-28-20(14)33)15(11)41-44(36,37)39-3-10-16(42-43(34,35)38-2-8)12(23)21(40-10)32-7-29-13-17(24)25-4-26-18(13)32/h4-12,15-16,21H,1-3H2,(H,34,35)(H,36,37)(H2,24,25,26)(H,27,28,33)/t8-,9-,10-,11-,12-,15+,16-,21-/m1/s1","","2023-04-17","2023-12-15","9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","2023-12-20"],["DSJ","1-(4-amino-2-hydroxyphenyl)ethan-1-one","C8 H9 N O2","c1(O)cc(ccc1C(=O)C)N;CC(=O)c1ccc(N)cc1O;CC(=O)c1ccc(cc1O)N","InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3","","2017-11-02","2018-10-05","1-(4-amino-2-hydroxyphenyl)ethan-1-one","2018-10-10"],["DSK","(2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name)","C12 H25 O9 S","OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)O)O)CO)O)O","InChI=1S/C12H25O9S/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22-/m0/s1","","2010-01-07","2011-06-04","(2S,3R,4R,5S,6S)-7-[(1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]heptane-1,2,3,4,5,6-hexol",""],["VZ7","2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate","C11 H13 Cl O3","CC(C)(c1cccc(c1)Cl)COC(=O)O;CC(C)(COC(O)=O)c1cccc(Cl)c1;CC(C)(COC(=O)O)c1cccc(c1)Cl","InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)","","2020-09-23","2020-09-25","2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate","2020-09-30"],["VZ9","2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol","C13 H19 F N2 O","OCCN1CCN(CC1)Cc1ccc(F)cc1;OCCN1CCN(CC1)Cc2ccc(F)cc2;c1cc(ccc1CN2CCN(CC2)CCO)F","InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2","","2022-09-02","2022-10-28","2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol","2022-11-02"],["DSL","MONO-TRANS, OCTA-CIS DECAPRENYL-PHOSPHATE","C50 H83 O4 P","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O;CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C)C)C","InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-","","2010-11-11","2011-10-14","[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] dihydrogen phosphate",""],["DSM","3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE","C18 H22 N2","c1cc3c(cc1)CCc2c(cccc2)N3CCCNC;CNCCCN1c2ccccc2CCc3ccccc13;CNCCCN1c2ccccc2CCc3c1cccc3","InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3","Desipramine;Norpramin","2007-07-17","2020-09-29","3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine",""],["VZA","methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid","C6 H12 N O2 P","C[P](O)(=O)C1=CCNCC1;CP(=O)(C1=CCNCC1)O","InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)","1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid; TPMPA","2023-04-18","2023-08-25","methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid","2023-08-30"],["DSN","D-SERINE","C3 H7 N O3","O=C(O)C(N)CO;N[CH](CO)C(O)=O;C(C(C(=O)O)N)O","InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1","","1999-07-08","2023-11-03","D-serine",""],["VZB","(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C23 H37 N3 O5","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COC1CCCCC1;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)COC4CCCCC4;CC1(C2C1C(N(C2)C(=O)COC3CCCCC3)C(=O)NC(CC4CCNC4=O)CO)C","InChI=1S/C23H37N3O5/c1-23(2)17-11-26(18(28)13-31-16-6-4-3-5-7-16)20(19(17)23)22(30)25-15(12-27)10-14-8-9-24-21(14)29/h14-17,19-20,27H,3-13H2,1-2H3,(H,24,29)(H,25,30)/t14-,15+,17-,19-,20-/m0/s1","MPI64","2023-09-20","2024-09-27","(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2024-09-25"],["DSO","ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE","C31 H45 N3 O3 S","O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)C35CC4CC(CC(C3)C4)C5;CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(CC(C5)C3)C4;CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4","InChI=1S/C31H45N3O3S/c1-34(2)28-13-9-12-27-26(28)11-10-14-29(27)38(36,37)33-16-8-6-4-3-5-7-15-32-30(35)31-20-23-17-24(21-31)19-25(18-23)22-31/h9-14,23-25,33H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,25-,31-","","2002-06-11","2011-06-04","(3S,5S,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide",""],["VZC","2-cyano-N-methyl-N-phenylacetamide","C10 H10 N2 O","CN(C(=O)CC#N)c1ccccc1;CN(C(=O)CC#N)c1ccccc1;CN(c1ccccc1)C(=O)CC#N","InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3","","2022-09-02","2022-10-28","2-cyano-N-methyl-N-phenylacetamide","2022-11-02"],["VZD","4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide","C15 H17 F N4 O5 S2","N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O;N[S](=O)(=O)c1ccc(N[S](=O)(=O)CCNC(=O)Nc2ccc(F)cc2)cc1;c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21)","","2020-09-23","2020-12-18","4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide","2020-12-23"],["DSP","D-ASPARTIC ACID","C4 H7 N O4","O=C(O)CC(N)C(=O)O;N[CH](CC(O)=O)C(O)=O;C(C(C(=O)O)N)C(=O)O","InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1/f/h6,8H","","1999-07-08","2009-01-07","D-aspartic acid",""],["DSQ","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol","C13 H24 O8","C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O;CC1C(C(C(C(O1)CC2CC(OC(C2O)CO)O)O)O)O","InChI=1S/C13H24O8/c1-5-10(16)13(19)12(18)7(20-5)2-6-3-9(15)21-8(4-14)11(6)17/h5-19H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12+,13+/m0/s1","","2018-01-29","2019-01-25","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol","2019-01-30"],["VZE","5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol","C34 H39 N O4","CCCCCCCCN(Cc1ccc(Oc2ccccc2O)cc1)Cc3ccc(Oc4ccccc4)c(O)c3;CCCCCCCCN(Cc1ccc(cc1)Oc2ccccc2O)Cc3ccc(c(c3)O)Oc4ccccc4","InChI=1S/C34H39NO4/c1-2-3-4-5-6-12-23-35(25-27-17-20-30(21-18-27)39-33-16-11-10-15-31(33)36)26-28-19-22-34(32(37)24-28)38-29-13-8-7-9-14-29/h7-11,13-22,24,36-37H,2-6,12,23,25-26H2,1H3","","2023-04-21","2024-01-19","5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol","2024-01-24"],["VZF","2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one","C20 H28 N6 O4","COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1;CC(C)N1c2c(c(nc(n2)N(CCO)CCO)NCc3ccc(cc3)OC)NC1=O","InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,27-28H,8-12H2,1-3H3,(H,22,29)(H,21,23,24)","","2023-09-06","2023-11-17","2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one","2023-11-22"],["DSR","2,6-dideoxy-4-thio-beta-D-allopyranose","C6 H12 O3 S","SC1C(OC(O)CC1O)C;C[CH]1O[CH](O)C[CH](O)[CH]1S;CC1C(C(CC(O1)O)O)S","InChI=1S/C6H12O3S/c1-3-6(10)4(7)2-5(8)9-3/h3-8,10H,2H2,1H3/t3-,4+,5-,6-/m1/s1","2,6-dideoxy-4-thio-beta-D-allose; 2,6-dideoxy-4-thio-D-allose; 2,6-dideoxy-4-thio-allose","1999-07-08","2020-07-17","2,6-dideoxy-4-thio-beta-D-ribo-hexopyranose",""],["VZG","6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide","C24 H26 N8 O4","C(c2c(cc(NC(C1CC1)=O)nn2)Nc3c(c(ccc3)c4ccc(nn4)C(=O)N(C)C)OC)(NC)=O;CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c4ccc(nn4)C(=O)N(C)C)c3OC;CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C","InChI=1S/C24H26N8O4/c1-25-23(34)20-18(12-19(30-31-20)27-22(33)13-8-9-13)26-16-7-5-6-14(21(16)36-4)15-10-11-17(29-28-15)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,26,27,30,33)","","2020-09-24","2021-07-30","6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide","2021-08-04"],["DSS","METHYL METHYLSULFINYLMETHYL SULFIDE","C3 H8 O S2","methyl (methylsulfanyl)methyl (S)-sulfoxide;CSC[S](C)=O;CSCS(=O)C","InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3/t6-/m0/s1","","1999-10-19","2012-01-05","(methylsulfanyl)[(S)-methylsulfinyl]methane",""],["DST","DIMETHYLALLYL S-THIOLODIPHOSPHATE","C5 H12 O6 P2 S","OP(O)(=O)OP(O)(=O)SCC=C(C)C;CC(C)=CCS[P](O)(=O)O[P](O)(O)=O;CC(=CCSP(=O)(O)OP(=O)(O)O)C","InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)","DMASPP; DMAPP; DMADP; Dimethylallyl pyrophosphate; dimethylallyl diphosphate;  isoprenyl pyrophosphate","2003-12-16","2020-07-15","S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate",""],["VZH","4-methoxy-N-methylbenzamide","C9 H11 N O2","COc1ccc(cc1)C(=O)NC;CNC(=O)c1ccc(OC)cc1;CNC(=O)c1ccc(cc1)OC","InChI=1S/C9H11NO2/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)","","2022-09-02","2022-10-28","4-methoxy-N-methylbenzamide","2022-11-02"],["DSU","((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE","C22 H40 O12","O=C(OCC2OC(OC1OC(OC)C(O)C(O)C1O)(CO)C(O)C2O)CCCCCCCCC;CCCCCCCCCC(=O)OC[CH]1O[C](CO)(O[CH]2O[CH](OC)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O;CCCCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)OC)O)O)O)O)O","InChI=1S/C22H40O12/c1-3-4-5-6-7-8-9-10-14(24)31-11-13-15(25)19(29)22(12-23,33-13)34-21-18(28)16(26)17(27)20(30-2)32-21/h13,15-21,23,25-29H,3-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,20-,21-,22+/m1/s1","","2005-12-29","2011-06-04","[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-2-yl]methyl decanoate (non-preferred name)",""],["VZI","2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide","C26 H20 N4 O5","Oc1cc(Cn2cc(CNC(=O)C3=Cc4ccccc4OC3=O)nn2)ccc1Oc5ccccc5;c1ccc(cc1)Oc2ccc(cc2O)Cn3cc(nn3)CNC(=O)C4=Cc5ccccc5OC4=O","InChI=1S/C26H20N4O5/c31-22-12-17(10-11-24(22)34-20-7-2-1-3-8-20)15-30-16-19(28-29-30)14-27-25(32)21-13-18-6-4-5-9-23(18)35-26(21)33/h1-13,16,31H,14-15H2,(H,27,32)","","2023-04-21","2023-08-11","2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide","2023-08-16"],["VZJ","6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide","C21 H21 N7 O3","COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4;CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncccn4;CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4","InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)","","2020-09-24","2021-07-30","6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide","2021-08-04"],["DSV","N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine","C17 H17 N O4 S2","O=C(O)C(NS(=O)(=O)c2ccc1c3ccccc3sc1c2)C(C)C;CC(C)[CH](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O;CC(C)C(C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1","InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1","","2008-04-08","2011-06-04","N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine",""],["VZK","~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine","C20 H21 N2","CN(C)c1ccc2cc(C=Cc3cc[n+](C)cc3)ccc2c1;C[n+]1ccc(cc1)C=Cc2ccc3cc(ccc3c2)N(C)C","InChI=1S/C20H21N2/c1-21(2)20-9-8-18-14-17(6-7-19(18)15-20)5-4-16-10-12-22(3)13-11-16/h4-15H,1-3H3/q+1","","2023-09-21","2024-09-13","~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine","2024-09-18"],["DSX","BATIMASTAT","C23 H31 N3 O4 S2","O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2;CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)[CH](CSc2sccc2)C(=O)NO;CC(C)CC(C(CSc1cccs1)C(=O)NO)C(=O)NC(Cc2ccccc2)C(=O)NC","InChI=1/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1/f/h24-26H","BB-99","1999-07-08","2008-10-14","(2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide",""],["VZL","N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide","C12 H15 N3 O","CC(=O)NCCc1cn2cccc(C)c2n1;CC(=O)NCCc1cn2cccc(C)c2n1;Cc1cccn2c1nc(c2)CCNC(=O)C","InChI=1S/C12H15N3O/c1-9-4-3-7-15-8-11(14-12(9)15)5-6-13-10(2)16/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)","","2022-09-02","2022-10-28","N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide","2022-11-02"],["DSY","5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID","C12 H13 N O3 S","O=S(=O)(O)c1ccc2c(c1)cccc2N(C)C;CN(C)c1cccc2cc(ccc12)[S](O)(=O)=O;CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O","InChI=1S/C12H13NO3S/c1-13(2)12-5-3-4-9-8-10(17(14,15)16)6-7-11(9)12/h3-8H,1-2H3,(H,14,15,16)","","1999-07-08","2011-06-04","5-(dimethylamino)naphthalene-2-sulfonic acid",""],["VZM","N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea","C11 H11 N3 O2 S","N(c1cccs1)C(=O)Nc2cnc(cc2)OC;COc1ccc(NC(=O)Nc2sccc2)cn1;COc1ccc(cn1)NC(=O)Nc2cccs2","InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)","","2020-09-24","2020-11-06","N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea","2020-11-11"],["DSZ","5'-O-(L-alpha-aspartylsulfamoyl)adenosine","C14 H19 N7 O9 S","O=C(O)CC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O)N","InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1","","2011-03-28","2011-06-04","5'-O-(L-alpha-aspartylsulfamoyl)adenosine",""],["VZN","{6-[(3-hydroxy-2-methylphenoxy)methyl]pyridin-2-yl}methyl nitrate","C14 H14 N2 O5","Oc1cccc(OCc2cccc(CO[N+]([O-])=O)n2)c1C;Cc1c(O)cccc1OCc2cccc(CO[N+]([O-])=O)n2;Cc1c(cccc1OCc2cccc(n2)CO[N+](=O)[O-])O","InChI=1S/C14H14N2O5/c1-10-13(17)6-3-7-14(10)20-8-11-4-2-5-12(15-11)9-21-16(18)19/h2-7,17H,8-9H2,1H3","","2022-09-24","2024-09-27","{6-[(3-hydroxy-2-methylphenoxy)methyl]pyridin-2-yl}methyl nitrate","2022-11-16"],["DT","THYMIDINE-5'-MONOPHOSPHATE","C10 H15 N2 O8 P","O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O;CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1","","2006-12-05","2024-09-27","5'-thymidylic acid",""],["VZO","N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide","C27 H34 N8 O3","COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N;CC(C)n1cc(c2c1cc(c(n2)C=O)CN3CCN(CC3)C)C(=O)Nc4cc(c(cn4)C#N)NCCOC","InChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37)","","2023-09-07","2024-07-26","~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide","2024-07-31"],["DT0","1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine","C32 H54 N10 O5","NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CCCNC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC1=O)NC(N)=N)c2;c1cc2cc(c1)CNC(=O)CCCNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(=O)C2)CCCCN)CCCCN)NC(=N)N","InChI=1S/C32H54N10O5/c33-15-4-1-11-24-29(45)37-17-6-3-13-25(42-32(35)36)30(46)38-18-8-14-27(43)39-21-23-10-7-9-22(19-23)20-28(44)40-26(31(47)41-24)12-2-5-16-34/h7,9-10,19,24-26H,1-6,8,11-18,20-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25+,26-/m0/s1","","2019-08-23","2020-06-12","1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine","2020-06-17"],["VZP","N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea","C9 H18 N2 O3 S","N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C;CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1;CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1","InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1","","2020-09-24","2021-01-08","N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea","2021-01-13"],["DT1","4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE","C18 H22 N6 O3 S","O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OCC4CCCCC4;N[S](=O)(=O)c1ccc(Nc2cc(OCC3CCCCC3)nc4ncnn24)cc1;c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N","InChI=1S/C18H22N6O3S/c19-28(25,26)15-8-6-14(7-9-15)22-16-10-17(23-18-20-12-21-24(16)18)27-11-13-4-2-1-3-5-13/h6-10,12-13,22H,1-5,11H2,(H2,19,25,26)","","2005-11-10","2011-06-04","4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide",""],["DT2","4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE","C17 H21 N7 O2 S","O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)NC4CCCCC4;N[S](=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc4ncnn24)cc1;c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N","InChI=1S/C17H21N7O2S/c18-27(25,26)14-8-6-13(7-9-14)22-16-10-15(21-12-4-2-1-3-5-12)23-17-19-11-20-24(16)17/h6-12,22H,1-5H2,(H2,18,25,26)(H,19,20,21,23)","","2005-11-10","2011-06-04","4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide",""],["VZQ","4-[(acetyloxy)methyl]benzoic acid","C10 H10 O4","O=C(O)c1ccc(COC(C)=O)cc1;CC(=O)OCc1ccc(cc1)C(O)=O;CC(=O)OCc1ccc(cc1)C(=O)O","InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)","","2022-09-02","2022-10-28","4-[(acetyloxy)methyl]benzoic acid","2022-11-02"],["VZR","4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one","C26 H21 N3 O5","CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12;CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5","InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3","","2023-04-21","2023-08-11","4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one","2023-08-16"],["DT3","(2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-1-SULFONATE","C4 H9 O5 S2","O=S([O-])(=O)CC(O)C(O)CS;O[CH](CS)[CH](O)C[S]([O-])(=O)=O;C(C(C(CS(=O)(=O)[O-])O)O)S","InChI=1S/C4H10O5S2/c5-3(1-10)4(6)2-11(7,8)9/h3-6,10H,1-2H2,(H,7,8,9)/p-1/t3-,4-/m1/s1","","2005-01-26","2024-09-27","(2S,3S)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate",""],["DT4","4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE","C17 H22 N8 O2 S","O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)NC4CCC(N)CC4;N[CH]1CC[CH](CC1)Nc2cc(Nc3ccc(cc3)[S](N)(=O)=O)n4ncnc4n2;c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N","InChI=1S/C17H22N8O2S/c18-11-1-3-12(4-2-11)22-15-9-16(25-17(24-15)20-10-21-25)23-13-5-7-14(8-6-13)28(19,26)27/h5-12,23H,1-4,18H2,(H2,19,26,27)(H,20,21,22,24)/t11-,12-","","2005-11-10","2011-06-04","4-({5-[(trans-4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide",""],["VZS","N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea","C11 H13 N5 O2","N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC;COc1ccc(C)cc1NC(=O)Nn2cnnc2;Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC","InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)","","2020-09-24","2020-11-06","N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea","2020-11-11"],["VZT","bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","C29 H33 F2 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1)C2(C)C;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)OC(c4ccc(F)cc4)c5ccc(F)cc5;CC1(C2C1C(N(C2)C(=O)OC(c3ccc(cc3)F)c4ccc(cc4)F)C(=O)NC(CC5CCNC5=O)CO)C","InChI=1S/C29H33F2N3O5/c1-29(2)22-14-34(24(23(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)39-25(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21+,22-,23-,24-/m0/s1","","2023-09-21","2024-09-27","bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","2024-09-25"],["DT5","4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE","C17 H20 N6 O3 S","O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OC4CCCCC4;N[S](=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc4ncnn24)cc1;c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N","InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25)","","2005-11-10","2011-06-04","4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide",""],["VZU","ethyl (4-aminophenyl)methylcarbamate","C10 H14 N2 O2","Nc1ccc(cc1)N(C)C(=O)OCC;CCOC(=O)N(C)c1ccc(N)cc1;CCOC(=O)N(C)c1ccc(cc1)N","InChI=1S/C10H14N2O2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3,11H2,1-2H3","","2022-09-02","2022-10-28","ethyl (4-aminophenyl)methylcarbamate","2022-11-02"],["DT6","2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose","C10 H18 N2 O6","O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C;CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](NC(C)=O)[CH]1O;CC(=O)NC1C(OC(C(C1O)NC(=O)C)O)CO","InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1","2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose; 2,4-bisacetamido-2,4-dideoxy-beta-D-glucose;\n2,4-bisacetamido-2,4-dideoxy-D-glucose; 2,4-bisacetamido-2,4-dideoxy-glucose","2006-06-29","2024-09-27","2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose",""],["VZV","1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide","C29 H32 Cl2 N4 O2 S","O=C(N(C)C)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)cc1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)CCC5;CC(C)C1=C(SC2=N[C](C)([CH](N12)c3ccc(Cl)cc3)c4ccc(Cl)cc4)C(=O)N5CCC[CH]5C(=O)N(C)C;CC(C)C1=C(SC2=NC(C(N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCCC5C(=O)N(C)C","InChI=1S/C29H32Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22,25H,6-7,16H2,1-5H3/t22-,25+,29-/m0/s1","","2012-10-22","2013-02-01","1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide","2013-02-01"],["DT7","6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide","C11 H16 N2 O4 S","O=S(=O)(N)N2Cc1c(cc(OC)c(OC)c1)CC2;COc1cc2CCN(Cc2cc1OC)[S](N)(=O)=O;COc1cc2c(cc1OC)CN(CC2)S(=O)(=O)N","InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15)","","2009-07-31","2011-06-04","6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide",""],["DT8","N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE","C26 H31 Cl N6 O3 S","Clc1cc2cc(nc2cc1)C(=O)NC5CCC(C(=O)N(C)C)CC5NC(=O)c3nc4c(s3)CN(CC4)C;CN1CCc2nc(sc2C1)C(=O)N[CH]3C[CH](CC[CH]3NC(=O)c4[nH]c5ccc(Cl)cc5c4)C(=O)N(C)C;CN1CCc2c(sc(n2)C(=O)NC3CC(CCC3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1","InChI=1S/C26H31ClN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1","(1S,2R,4S)-N1-[(5-CHLOROINDOL-2-YL)CARBONYL]-4-(N,N-DIMETHYLCARBAMOYL)-N2-[(5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]-1,2-CYCLOHEXANEDIAMINE","2007-03-16","2021-03-13","N-[(1R,2S,5S)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide",""],["VZW","1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid","C24 H23 F N4 O6 S","N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5;c1cc(ccc1C(=O)N2CCN(CC2)c3cc4c(cc3F)C(=O)C(=CN4C5CC5)C(=O)O)S(=O)(=O)N","InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35)","","2023-04-21","2024-04-26","1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid","2024-05-01"],["VZX","~{N},~{N}'-di(acridin-9-yl)pentane-1,5-diamine","C31 H28 N4","C(CCNc1c2ccccc2nc3ccccc13)CCNc4c5ccccc5nc6ccccc46;c1ccc2c(c1)c(c3ccccc3n2)NCCCCCNc4c5ccccc5nc6c4cccc6","InChI=1S/C31H28N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2-9,12-19H,1,10-11,20-21H2,(H,32,34)(H,33,35)","","2023-09-07","2024-08-02","~{N},~{N}'-di(acridin-9-yl)pentane-1,5-diamine","2024-08-07"],["DT9","(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide","C12 H18 N2 O4 S","O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)C;COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O;CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC","InChI=1S/C12H18N2O4S/c1-8-10-7-12(18-3)11(17-2)6-9(10)4-5-14(8)19(13,15)16/h6-8H,4-5H2,1-3H3,(H2,13,15,16)/t8-/m0/s1","","2010-12-08","2011-06-04","(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide",""],["DTA","(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL]","C20 H24 N10 O6 S2","n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSSCC6OC(n4c5ncnc(N)c5nc4)C(O)C6O)N;Nc1ncnc2n(cnc12)[CH]3O[CH](CSSC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSSCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N","InChI=1S/C20H24N10O6S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(35-19)1-37-38-2-8-12(32)14(34)20(36-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1","DI-(5'-THIOADENOSINE)","2006-08-17","2020-06-17","(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-(disulfanediyldimethanediyl)bis[5-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diol] (non-preferred name)",""],["VZY","N-(3-methylbenzene-1-carbonyl)glycine","C10 H11 N O3","c1c(cc(cc1)C)C(NCC(O)=O)=O;Cc1cccc(c1)C(=O)NCC(O)=O;Cc1cccc(c1)C(=O)NCC(=O)O","InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)","","2020-09-24","2021-01-08","N-(3-methylbenzene-1-carbonyl)glycine","2021-01-13"],["DTB","6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID","C10 H18 N2 O3","C1(=O)NC(C(N1)C)CCCCCC(=O)O;C[CH]1NC(=O)N[CH]1CCCCCC(O)=O;CC1C(NC(=O)N1)CCCCCC(=O)O","InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1","D-DESTHIOBIOTIN","1999-08-17","2021-03-01","6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid",""],["VZZ","11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID","C12 H22 O4 S","O=C(OCCCCCCCCCCC(=O)O)S;OC(=O)CCCCCCCCCCOC(S)=O;C(CCCCCOC(=O)S)CCCCC(=O)O","InChI=1S/C12H22O4S/c13-11(14)9-7-5-3-1-2-4-6-8-10-16-12(15)17/h1-10H2,(H,13,14)(H,15,17)","","2007-07-26","2011-06-04","11-[(sulfanylcarbonyl)oxy]undecanoic acid",""],["W00","2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide","C10 H11 F N2 O2 S","O=C(Nc1ccc(F)cc1)CSCC(N)=O;NC(=O)CSCC(=O)Nc1ccc(F)cc1;c1cc(ccc1NC(=O)CSCC(=O)N)F","InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)","","2022-09-02","2022-10-28","2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide","2022-11-02"],["DTC","BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]","C19 H12 O6","O=C1c4ccccc4OC(=O)C1CC2C(=O)c3c(OC2=O)cccc3;O=C1Oc2ccccc2C(=O)[CH]1C[CH]3C(=O)Oc4ccccc4C3=O;c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O","InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2/t12-,13+","DICOUMAROL","2003-03-11","2020-06-17","(3R,3'S)-3,3'-methanediylbis(2H-chromene-2,4(3H)-dione)",""],["W01","2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL","C17 H21 N5 O2","n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C;Cn1nnc(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2;Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C","InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3","WIN61209","1999-07-08","2021-03-01","5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole",""],["DTD","DITHIANE DIOL","C4 H8 O2 S2","OC1CSSCC1O;O[CH]1CSSC[CH]1O;C1C(C(CSS1)O)O","InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1","","1999-07-08","2011-06-04","(4R,5R)-1,2-dithiane-4,5-diol",""],["W02","2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL","C17 H21 N5 O2","n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C;Cc1cc(CCCOc2c(C)cc(cc2C)n3nnc(C)n3)on1;Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C","InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3","WIN68934","1999-07-20","2021-03-01","2-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole",""],["DTE","7-CL-D-TRYPTOPHAN","C11 H11 Cl N2 O2","O=C(O)C(N)Cc2c1cccc(Cl)c1nc2;N[CH](Cc1c[nH]c2c(Cl)cccc12)C(O)=O;c1cc2c(c[nH]c2c(c1)Cl)CC(C(=O)O)N","InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m1/s1","","2007-07-30","2011-06-04","7-chloro-D-tryptophan",""],["W03","2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL","C19 H22 N2 O3","o1cc(nc1C)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C;Cc1occ(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2;Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C","InChI=1S/C19H22N2O3/c1-12-8-16(18-11-23-15(4)20-18)9-13(2)19(12)22-7-5-6-17-10-14(3)21-24-17/h8-11H,5-7H2,1-4H3","WIN65099","1999-07-08","2020-06-17","5-{3-[2,6-dimethyl-4-(2-methyl-1,3-oxazol-4-yl)phenoxy]propyl}-3-methylisoxazole",""],["DTF","4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID","C37 H45 N4 O7 P","O=P(O)(O)Cc1ccc(cc1)C2C=CCC(CNC(=O)C(NC(=O)C3(NC(=O)C2)CCCCC3)CC(=O)N)Cc5c4ccccc4ccc5;NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)C[CH](C=CC[CH](CNC1=O)Cc3cccc4ccccc34)c5ccc(C[P](O)(O)=O)cc5;c1ccc2c(c1)cccc2CC3CC=CC(CC(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O","InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1","","2005-03-28","2011-06-04","{4-[(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzyl}phosphonic acid",""],["W04","N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide","C9 H13 N3 O","N(C(=O)CNC)c1cc(ccn1)C;CNCC(=O)Nc1cc(C)ccn1;Cc1ccnc(c1)NC(=O)CNC","InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)","","2020-09-24","2021-01-08","N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide","2021-01-13"],["DTG","DES-AMINO T-BUTYL GLYCINE","C6 H12 O2","O=C(O)CC(C)(C)C;CC(C)(C)CC(O)=O;CC(C)(C)CC(=O)O","InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)","","2001-03-28","2011-06-04","3,3-dimethylbutanoic acid",""],["W05","DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE","C12 H21 N3 O6 S","O=C(NC(C(=O)O)C)C(NC(=O)CCCC(C(=O)O)N)CS;C[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C12H21N3O6S/c1-6(11(18)19)14-10(17)8(5-22)15-9(16)4-2-3-7(13)12(20)21/h6-8,22H,2-5,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)(H,20,21)/t6-,7+,8+/m1/s1","","2004-06-01","2011-06-04","N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-alanine",""],["DTH","D-THREONINE","C4 H9 N O3","O=C(O)C(N)C(O)C;C[CH](O)[CH](N)C(O)=O;CC(C(C(=O)O)N)O","InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1","","1999-07-08","2023-11-03","D-threonine",""],["DTI","3,4-DIMETHYLTHIAZOLIUM ION","C5 H8 N S","s1cc([n+](c1)C)C;Cc1csc[n+]1C;Cc1csc[n+]1C","InChI=1S/C5H8NS/c1-5-3-7-4-6(5)2/h3-4H,1-2H3/q+1","","2001-01-24","2012-01-25","3,4-dimethyl-1,3-thiazol-3-ium",""],["W06","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid","C17 H11 F11 N2 O3","OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C17H11F11N2O3/c18-13(19,14(20,21)15(22,23)16(24,25)17(26,27)28)12(33)30-10(11(31)32)5-7-6-29-9-4-2-1-3-8(7)9/h1-4,6,10,29H,5H2,(H,30,33)(H,31,32)/t10-/m0/s1","","2016-02-17","2017-02-03","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid","2017-02-08"],["DTJ","4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide","C33 H36 N6 O5","CC(c5ccc(C(=O)Nc1cccc(c1CO)C2=NN(C(C(=C2)Nc3ccc(cn3)C(=O)N4CCOCC4)=O)C)cc5)(C)C;CN1N=C(C=C(Nc2ccc(cn2)C(=O)N3CCOCC3)C1=O)c4cccc(NC(=O)c5ccc(cc5)C(C)(C)C)c4CO;CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C","InChI=1S/C33H36N6O5/c1-33(2,3)23-11-8-21(9-12-23)30(41)36-26-7-5-6-24(25(26)20-40)27-18-28(32(43)38(4)37-27)35-29-13-10-22(19-34-29)31(42)39-14-16-44-17-15-39/h5-13,18-19,40H,14-17,20H2,1-4H3,(H,34,35)(H,36,41)","","2017-11-03","2018-11-02","4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide","2018-11-07"],["W07","(2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol","C24 H34 O5","O(c1ccc(cc1)C(c2ccc(OCC(O)C(C)(C)C)cc2)(C)C)CC(O)CO;CC(C)(C)[CH](O)COc1ccc(cc1)C(C)(C)c2ccc(OC[CH](O)CO)cc2;CC(C)(C)C(COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(CO)O)O","InChI=1S/C24H34O5/c1-23(2,3)22(27)16-29-21-12-8-18(9-13-21)24(4,5)17-6-10-20(11-7-17)28-15-19(26)14-25/h6-13,19,22,25-27H,14-16H2,1-5H3/t19-,22-/m0/s1","","2013-05-23","2013-10-04","(2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol","2013-10-09"],["DTK","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol","C14 H26 O8","CO[CH]1C[CH](C[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](CO)O1;CC1C(C(C(C(O1)CC2CC(OC(C2O)CO)OC)O)O)O","InChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1","","2018-01-29","2019-02-01","(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol","2019-02-06"],["W08","(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide","C16 H23 N7 O4","CN1CCC(CC1)NC(=O)[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;CN1CCC(CC1)NC(=O)C2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C16H23N7O4/c1-22-4-2-8(3-5-22)21-15(26)12-10(24)11(25)16(27-12)23-7-20-9-13(17)18-6-19-14(9)23/h6-8,10-12,16,24-25H,2-5H2,1H3,(H,21,26)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1","(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-(1-methyl-4-piperidinyl)tetrahydro-2-furancarboxamide; (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(1-methylpiperidin-4-yl)oxolane-2-carboxamide","2023-04-21","2023-05-19","(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide","2023-05-24"],["W09","N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan","C20 H11 F17 N2 O3","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(C(=O)O)Cc2c1ccccc1nc2;OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C20H11F17N2O3/c21-13(22,12(42)39-10(11(40)41)5-7-6-38-9-4-2-1-3-8(7)9)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h1-4,6,10,38H,5H2,(H,39,42)(H,40,41)/t10-/m0/s1","","2014-04-08","2014-11-21","N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan","2014-11-26"],["DTL","L-TREITOL","C4 H10 O4","C(C(C(CO)O)O)O;OC[CH](O)[CH](O)CO;C(C(C(CO)O)O)O","InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1","","2002-07-03","2015-06-01","(2S,3S)-butane-1,2,3,4-tetrol",""],["DTM","2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE","C18 H22 N6 O3","n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)c(OC)c(OC)c3)C;COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC;CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N","InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)","","2002-09-29","2011-06-04","N~6~-methyl-N~6~-(3,4,5-trimethoxybenzyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine",""],["W0A","N-[(1H-benzimidazol-2-yl)methyl]butanamide","C12 H15 N3 O","n1c(CNC(=O)CCC)nc2c1cccc2;CCCC(=O)NCc1[nH]c2ccccc2n1;CCCC(=O)NCc1[nH]c2ccccc2n1","InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)","","2020-09-24","2021-01-08","N-[(1H-benzimidazol-2-yl)methyl]butanamide","2021-01-13"],["W0B","diphenylmethyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","C29 H35 N3 O5","O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OC(c1ccccc1)c1ccccc1)C2(C)C;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)OC(c4ccccc4)c5ccccc5;CC1(C2C1C(N(C2)C(=O)OC(c3ccccc3)c4ccccc4)C(=O)NC(CC5CCNC5=O)CO)C","InChI=1S/C29H35N3O5/c1-29(2)22-16-32(24(23(22)29)27(35)31-21(17-33)15-20-13-14-30-26(20)34)28(36)37-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,13-17H2,1-2H3,(H,30,34)(H,31,35)/t20-,21+,22-,23-,24-/m0/s1","","2023-09-21","2024-09-27","diphenylmethyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate","2024-09-25"],["DTN","DITHIONITE","O4 S2","[O-]S(=O)S([O-])=O;[O-][S](=O)[S]([O-])=O;[O-]S(=O)S(=O)[O-]","InChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)/p-2","","2000-09-12","2012-01-05","dithionite",""],["W0C","N-(pentan-3-yl)-N'-(pyridin-3-yl)urea","C11 H17 N3 O","O=C(Nc1cccnc1)NC(CC)CC;CCC(CC)NC(=O)Nc1cccnc1;CCC(CC)NC(=O)Nc1cccnc1","InChI=1S/C11H17N3O/c1-3-9(4-2)13-11(15)14-10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H2,13,14,15)","","2022-09-02","2022-10-28","N-(pentan-3-yl)-N'-(pyridin-3-yl)urea","2022-11-02"],["DTO","1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL","C4 H10 O3 S2","SCC(O)C(O)CSO;OSC[CH](O)[CH](O)CS;C(C(C(CSO)O)O)S","InChI=1S/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4-/m1/s1","","1999-09-29","2011-06-04","(2S,3S)-2,3-dihydroxy-4-sulfanylbutane-1-sulfenic acid",""],["W0D","N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide","C13 H11 N3 O2","n2c(CNC(=O)c1ccco1)nc3ccccc23;O=C(NCc1[nH]c2ccccc2n1)c3occc3;c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3","InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)","","2020-09-24","2021-01-08","N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide","2021-01-13"],["DTP","2'-DEOXYADENOSINE 5'-TRIPHOSPHATE","C10 H16 N5 O12 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N","InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1","","1999-07-08","2011-06-04","2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)",""],["DTQ","4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE","C16 H15 N3 O3","n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(O)c3;COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC;COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O","InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)","","1999-12-07","2011-06-04","3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol",""],["W0E","3-azanyl-5-methyl-phenol","C7 H9 N O","Cc1cc(N)cc(O)c1;Cc1cc(cc(c1)O)N","InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3","","2023-04-21","2024-04-26","3-azanyl-5-methyl-phenol","2024-05-01"],["W0F","[[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C11 H18 N5 O14 P3","CO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23;COC1C(OC(C1O)n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O","InChI=1S/C11H18N5O14P3/c1-26-7-4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(6(7)17)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10+/m0/s1","","2023-09-08","2023-12-01","[[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-12-06"],["DTR","D-TRYPTOPHAN","C11 H12 N2 O2","O=C(O)C(N)Cc2c1ccccc1nc2;N[CH](Cc1c[nH]c2ccccc12)C(O)=O;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N","InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1","","1999-07-08","2023-11-03","D-tryptophan",""],["W0G","(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one","C11 H13 F N2 O","N1(C(C(CC1)NC)=O)c2ccccc2F;CN[CH]1CCN(C1=O)c2ccccc2F;CNC1CCN(C1=O)c2ccccc2F","InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1","","2020-09-24","2021-01-08","(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one","2021-01-13"],["DTS","2-{[(S)-phenylsulfinyl]methyl}benzoic acid","C14 H12 O3 S","c1cc(ccc1)S(Cc2ccccc2C(=O)O)=O;OC(=O)c1ccccc1C[S](=O)c2ccccc2;c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O","InChI=1S/C14H12O3S/c15-14(16)13-9-5-4-6-11(13)10-18(17)12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)/t18-/m0/s1","2-{[(S)-benzenesulfinyl]methyl}benzoic acid","2017-11-06","2020-06-17","2-{[(S)-phenylsulfinyl]methyl}benzoic acid","2018-11-07"],["DTT","2,3-DIHYDROXY-1,4-DITHIOBUTANE","C4 H10 O2 S2","SCC(O)C(O)CS;O[CH](CS)[CH](O)CS;C(C(C(CS)O)O)S","InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1","1,4-DITHIOTHREITOL","1999-07-08","2024-09-27","(2R,3R)-1,4-disulfanylbutane-2,3-diol",""],["W0H","2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide","C11 H14 F N O3","COCCNC(=O)COc1ccc(F)cc1;COCCNC(=O)COc1ccc(F)cc1;COCCNC(=O)COc1ccc(cc1)F","InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)","","2022-09-02","2022-10-28","2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide","2022-11-02"],["DTU","(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL","C4 H10 O2 S2","SCC(O)C(O)CS;O[CH](CS)[CH](O)CS;C(C(C(CS)O)O)S","InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+","","2004-06-18","2024-09-27","(2R,3S)-1,4-disulfanylbutane-2,3-diol",""],["W0I","4-fluoro-5-hexyl-2-phenoxyphenol","C18 H21 F O2","Fc2cc(Oc1ccccc1)c(O)cc2CCCCCC;CCCCCCc1cc(O)c(Oc2ccccc2)cc1F;CCCCCCc1cc(c(cc1F)Oc2ccccc2)O","InChI=1S/C18H21FO2/c1-2-3-4-6-9-14-12-17(20)18(13-16(14)19)21-15-10-7-5-8-11-15/h5,7-8,10-13,20H,2-4,6,9H2,1H3","","2014-10-27","2015-02-27","4-fluoro-5-hexyl-2-phenoxyphenol","2015-03-04"],["W0J","(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine","C10 H16 N4","N1(CCCC(C1)NC)c2nnccc2;CN[CH]1CCCN(C1)c2cccnn2;CNC1CCCN(C1)c2cccnn2","InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1","","2020-09-24","2021-01-08","(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine","2021-01-13"],["DTV","(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL","C4 H10 O2 S2","SCC(O)C(O)CS;O[CH](CS)[CH](O)CS;C(C(C(CS)O)O)S","InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1","","2004-06-18","2024-09-27","(2S,3S)-1,4-disulfanylbutane-2,3-diol",""],["W0K","~{N}-(2-sulfanylethyl)ethanamide","C4 H9 N O S","CC(=O)NCCS;CC(=O)NCCS","InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)","","2023-04-21","2024-09-27","~{N}-(2-sulfanylethyl)ethanamide","2024-05-01"],["DTW","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium","C14 H21 N10 O4 S","NNC(=O)CCCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O;c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)C3C(C(C(O3)CN=[N+]=N)O)O)N","InChI=1S/C14H20N10O4S/c15-11-8-12(19-5-18-11)24(14(21-8)29-3-1-2-7(25)22-16)13-10(27)9(26)6(28-13)4-20-23-17/h5-6,9-10,13,16,26-27H,1-4H2,(H4,15,17,18,19,20)/p+1/t6-,9-,10-,13-/m1/s1","","2018-01-29","2019-02-01","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium","2019-02-06"],["W0L","(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C29 H33 Cl2 N3 O4","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)C(c4ccc(Cl)cc4)c5ccc(Cl)cc5;CC1(C2C1C(N(C2)C(=O)C(c3ccc(cc3)Cl)c4ccc(cc4)Cl)C(=O)NC(CC5CCNC5=O)CO)C","InChI=1S/C29H33Cl2N3O4/c1-29(2)22-14-34(25(24(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)23(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21-,22-,24-,25-/m0/s1","","2023-09-21","2024-09-27","(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2024-09-25"],["DTX","DIGITOXIGENIN","C23 H34 O4","O=C1OCC(=C1)C2C4(C(O)(CC2)C5CCC3CC(O)CCC3(C)C5CC4)C;C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5;CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O","InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1","4-(3,14-DIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE","2002-05-15","2021-03-13","(3alpha,5beta,8alpha)-3,14-dihydroxycard-20(22)-enolide",""],["W0M","(2R)-2-(4-chlorophenoxy)propanamide","C9 H10 Cl N O2","c1cc(ccc1Cl)OC(C(=O)N)C;C[CH](Oc1ccc(Cl)cc1)C(N)=O;CC(C(=O)N)Oc1ccc(cc1)Cl","InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1","","2020-09-24","2020-11-06","(2R)-2-(4-chlorophenoxy)propanamide","2020-11-11"],["DTY","D-TYROSINE","C9 H11 N O3","O=C(O)C(N)Cc1ccc(O)cc1;N[CH](Cc1ccc(O)cc1)C(O)=O;c1cc(ccc1CC(C(=O)O)N)O","InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1","","1999-07-08","2023-11-03","D-tyrosine",""],["W0N","N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide","C10 H17 N3 O","O=C(NC(C)(C)CCC)c1cc[NH]n1;CCCC(C)(C)NC(=O)c1cc[nH]n1;CCCC(C)(C)NC(=O)c1cc[nH]n1","InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14)","","2022-09-02","2022-10-28","N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide","2022-11-02"],["DTZ","zinc(II)hydrogensulfide","H2 S2 Zn","S[Zn]S;S[Zn]S;S[Zn]S","InChI=1S/2H2S.Zn/h2*1H2;/q;;+2/p-2","","2007-10-04","2011-06-04","zinc dihydrosulfide",""],["W0O","1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine","C23 H24 N6 O","CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25;CN1CCC(CC1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N","InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26)","","2023-04-21","2024-04-26","1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine","2024-05-01"],["DU","2'-DEOXYURIDINE-5'-MONOPHOSPHATE","C9 H13 N2 O8 P","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2001-06-01","2011-06-04","2'-deoxy-5'-uridylic acid",""],["DU0","2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol","C32 H52 O5","C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCCC(CO)CO;CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)CO)C)C)C)OC1","InChI=1S/C32H52O5/c1-20-7-13-32(36-19-20)21(2)29-28(37-32)16-27-25-6-5-23-15-24(35-14-10-22(17-33)18-34)8-11-30(23,3)26(25)9-12-31(27,29)4/h5,20-22,24-29,33-34H,6-19H2,1-4H3/t20-,21+,24+,25-,26+,27+,28+,29+,30+,31+,32-/m1/s1","","2019-08-27","2019-10-18","2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol","2019-10-23"],["W0P","(2R)-2-(2-fluorophenoxy)propanoic acid","C9 H9 F O3","c1cc(c(cc1)F)OC(C(=O)O)C;C[CH](Oc1ccccc1F)C(O)=O;CC(C(=O)O)Oc1ccccc1F","InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1","","2020-09-24","2021-01-08","(2R)-2-(2-fluorophenoxy)propanoic acid","2021-01-13"],["DU1","4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride","C24 H30 F N5 O5 S","O=C3N(CCCNC(=O)c1ccc(cc1)S(=O)(F)=O)c2nc(nc2C(N3CCC)=O)C4CCCCC4;CCCN1C(=O)N(CCCNC(=O)c2ccc(cc2)[S](F)(=O)=O)c3nc([nH]c3C1=O)C4CCCCC4;CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F","InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)","","2017-01-12","2024-09-27","4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride","2017-03-01"],["W0R","3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide","C12 H18 N2 O S","O=C(Nc1cccnc1)CCSCC(C)C;CC(C)CSCCC(=O)Nc1cccnc1;CC(C)CSCCC(=O)Nc1cccnc1","InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15)","","2022-09-02","2022-10-28","3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide","2022-11-02"],["DU2","2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine","C20 H23 N5 O4","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4nccn4C;Cn1ccnc1[CH](NC[CH]2O[CH](C[CH]2O)N3C=CC(=O)NC3=O)c4ccccc4;Cn1ccnc1C(c2ccccc2)NCC3C(CC(O3)N4C=CC(=O)NC4=O)O","InChI=1S/C20H23N5O4/c1-24-10-8-21-19(24)18(13-5-3-2-4-6-13)22-12-15-14(26)11-17(29-15)25-9-7-16(27)23-20(25)28/h2-10,14-15,17-18,22,26H,11-12H2,1H3,(H,23,27,28)/t14-,15+,17+,18?/m0/s1","","2011-11-10","2012-08-24","2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine","2012-08-24"],["W0S","1-(3,4,5-trimethoxyphenyl)methanamine","C10 H15 N O3","C(N)c1cc(c(c(c1)OC)OC)OC;COc1cc(CN)cc(OC)c1OC;COc1cc(cc(c1OC)OC)CN","InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3","","2020-09-24","2021-01-08","1-(3,4,5-trimethoxyphenyl)methanamine","2021-01-13"],["DU3","2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine","C22 H23 N3 O4","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4ccccc4;O[CH]1C[CH](O[CH]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O;c1ccc(cc1)C(c2ccccc2)NCC3C(CC(O3)N4C=CC(=O)NC4=O)O","InChI=1S/C22H23N3O4/c26-17-13-20(25-12-11-19(27)24-22(25)28)29-18(17)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,20-21,23,26H,13-14H2,(H,24,27,28)/t17-,18+,20+/m0/s1","","2011-08-18","2012-08-24","2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine","2012-08-24"],["W0T","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid","C18 H11 F13 N2 O3","OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C18H11F13N2O3/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)12(36)33-10(11(34)35)5-7-6-32-9-4-2-1-3-8(7)9/h1-4,6,10,32H,5H2,(H,33,36)(H,34,35)/t10-/m0/s1","","2016-02-18","2017-02-03","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid","2017-02-08"],["W0U","[(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid","C14 H22 N7 O7 P","C[CH](O)[CH](N)C(=O)N[P](O)(=O)OC[CH]1C[CH](O)[CH](O1)n2cnc3c(N)ncnc23;CC(C(C(=O)NP(=O)(O)OCC1CC(C(O1)n2cnc3c2ncnc3N)O)N)O","InChI=1S/C14H22N7O7P/c1-6(22)9(15)13(24)20-29(25,26)27-3-7-2-8(23)14(28-7)21-5-19-10-11(16)17-4-18-12(10)21/h4-9,14,22-23H,2-3,15H2,1H3,(H2,16,17,18)(H2,20,24,25,26)/t6-,7-,8-,9-,14+/m0/s1","","2023-04-24","2023-07-07","[(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid","2023-07-12"],["DU4","2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine","C23 H25 N3 O4","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CN(C(c3ccccc3)c4ccccc4)C;CN(C[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O)C(c3ccccc3)c4ccccc4;CN(CC1C(CC(O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4","InChI=1S/C23H25N3O4/c1-25(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)15-19-18(27)14-21(30-19)26-13-12-20(28)24-23(26)29/h2-13,18-19,21-22,27H,14-15H2,1H3,(H,24,28,29)/t18-,19+,21+/m0/s1","","2011-11-10","2012-08-24","2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine","2012-08-24"],["W0V","N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide","C12 H15 N3 O","n1c(CNC(=O)C(C)C)nc2c1cccc2;CC(C)C(=O)NCc1[nH]c2ccccc2n1;CC(C)C(=O)NCc1[nH]c2ccccc2n1","InChI=1S/C12H15N3O/c1-8(2)12(16)13-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)","","2020-09-24","2021-01-08","N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide","2021-01-13"],["DU5","~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide","C23 H26 N4 O","O=C(NCCCN1CCN(CC1)c2nccc3ccccc23)c4ccccc4;c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3","InChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28)","","2018-01-30","2019-07-05","~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide","2019-07-10"],["W0W","(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","C29 H31 Cl2 N3 O6","CC1(C)C2C(C(=O)NC(CC3CC=NC3=O)CO)N(CC21)C(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CC=NC3=O)C(=O)C(Oc4ccc(Cl)cc4)Oc5ccc(Cl)cc5;CC1(C2C1C(N(C2)C(=O)C(Oc3ccc(cc3)Cl)Oc4ccc(cc4)Cl)C(=O)NC(CC5CC=NC5=O)CO)C","InChI=1S/C29H31Cl2N3O6/c1-29(2)22-14-34(24(23(22)29)26(37)33-19(15-35)13-16-11-12-32-25(16)36)27(38)28(39-20-7-3-17(30)4-8-20)40-21-9-5-18(31)6-10-21/h3-10,12,16,19,22-24,28,35H,11,13-15H2,1-2H3,(H,33,37)/t16-,19-,22-,23-,24-/m0/s1","","2023-09-21","2024-09-27","(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide","2024-09-25"],["DU6","1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea","C19 H15 N5 O S","O=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N;c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4","InChI=1S/C19H15N5OS/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)","","2019-08-27","2020-03-20","1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea","2020-03-25"],["W0X","3-[(3-bromophenyl)methanesulfonyl]propanoic acid","C10 H11 Br O4 S","Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1;OC(=O)CC[S](=O)(=O)Cc1cccc(Br)c1;c1cc(cc(c1)Br)CS(=O)(=O)CCC(=O)O","InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13)","","2022-09-02","2022-10-28","3-[(3-bromophenyl)methanesulfonyl]propanoic acid","2022-11-02"],["DU7","4-chloro-6-methylpyrimidin-2-amine","C5 H6 Cl N3","c1(N)nc(Cl)cc(n1)C;Cc1cc(Cl)nc(N)n1;Cc1cc(nc(n1)N)Cl","InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)","","2017-11-06","2018-11-02","4-chloro-6-methylpyrimidin-2-amine","2018-11-07"],["DU8","3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid","C13 H16 N8 O5 S","Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCCC(O)=O)nc12;c1nc(c2c(n1)n(c(n2)SCCC(=O)O)C3C(C(C(O3)CN=[N+]=[N-])O)O)N","InChI=1S/C13H16N8O5S/c14-10-7-11(17-4-16-10)21(13(19-7)27-2-1-6(22)23)12-9(25)8(24)5(26-12)3-18-20-15/h4-5,8-9,12,24-25H,1-3H2,(H,22,23)(H2,14,16,17)/t5-,8-,9-,12-/m1/s1","","2018-01-30","2019-03-08","3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid","2019-03-13"],["W0Y","N-methyl-4-sulfamoylbenzamide","C8 H10 N2 O3 S","NS(c1ccc(cc1)C(NC)=O)(=O)=O;CNC(=O)c1ccc(cc1)[S](N)(=O)=O;CNC(=O)c1ccc(cc1)S(=O)(=O)N","InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)","","2020-09-24","2021-01-08","N-methyl-4-sulfamoylbenzamide","2021-01-13"],["W0Z","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide","C13 H13 F2 N3 O4","COc1c(N)c(F)cc(C(=O)N[CH]2CCC(=O)NC2=O)c1F;COc1c(c(cc(c1F)C(=O)NC2CCC(=O)NC2=O)F)N","InChI=1S/C13H13F2N3O4/c1-22-11-9(15)5(4-6(14)10(11)16)12(20)17-7-2-3-8(19)18-13(7)21/h4,7H,2-3,16H2,1H3,(H,17,20)(H,18,19,21)/t7-/m0/s1","","2023-04-24","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide","2023-11-15"],["DU9","6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one","C27 H35 F N6 O3","C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5;CC1CN(CC(O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C","InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+","","2019-08-28","2020-03-27","6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one","2020-04-01"],["DUA","2',5'-dideoxy-5'-(tritylamino)uridine","C28 H27 N3 O4","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)(c4ccccc4)c5ccccc5;O[CH]1C[CH](O[CH]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O;c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NCC4C(CC(O4)N5C=CC(=O)NC5=O)O","InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1","","2011-08-18","2012-08-24","2',5'-dideoxy-5'-(tritylamino)uridine","2012-08-24"],["W10","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid","C21 H11 F19 N2 O3","OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C21H11F19N2O3/c22-13(23,12(45)42-10(11(43)44)5-7-6-41-9-4-2-1-3-8(7)9)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)40/h1-4,6,10,41H,5H2,(H,42,45)(H,43,44)/t10-/m0/s1","","2016-02-18","2017-02-03","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid","2017-02-08"],["DUB","2,6-dichlorophenol","C6 H4 Cl2 O","Oc1c(Cl)cccc1Cl;c1cc(c(c(c1)Cl)O)Cl","InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H","","2016-11-03","2017-07-07","2,6-bis(chloranyl)phenol","2017-07-12"],["W11","3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE","C18 H18 F3 N3 O3","FC(F)(F)c1nc(no1)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C;Cc1cc(CCCOc2c(C)cc(cc2C)c3noc(n3)C(F)(F)F)on1;Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F","InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3","WIN63843","2000-06-15","2020-06-17","3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole",""],["W12","(2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol","C28 H42 O5","O(c1ccc(cc1)C(c2ccc(OCC(O)C(C)(C)C)cc2)(CCC)CCC)CC(O)CO;CCCC(CCC)(c1ccc(OC[CH](O)CO)cc1)c2ccc(OC[CH](O)C(C)(C)C)cc2;CCCC(CCC)(c1ccc(cc1)OCC(CO)O)c2ccc(cc2)OCC(C(C)(C)C)O","InChI=1S/C28H42O5/c1-6-16-28(17-7-2,21-8-12-24(13-9-21)32-19-23(30)18-29)22-10-14-25(15-11-22)33-20-26(31)27(3,4)5/h8-15,23,26,29-31H,6-7,16-20H2,1-5H3/t23-,26-/m0/s1","","2012-11-08","2013-10-04","(2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol","2013-10-09"],["DUC","DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE","C4 H6 N2 O2","O=C1NC(=O)NCC1;O=C1CCNC(=O)N1;C1CNC(=O)NC1=O","InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)","DIHYDROURACIL","2003-03-18","2020-06-17","dihydropyrimidine-2,4(1H,3H)-dione",""],["DUD","DEOXYURIDINE-5'-DIPHOSPHATE","C9 H14 N2 O11 P2","O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxyuridine 5'-(trihydrogen diphosphate)",""],["W13","(5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one","C23 H22 Cl3 N O3 S","Clc4ccccc4SC3=C(O)CC(c2c(Cl)c(NC1CCOCC1)ccc2Cl)CC3=O;OC1=C(Sc2ccccc2Cl)C(=O)C[CH](C1)c3c(Cl)ccc(NC4CCOCC4)c3Cl;c1ccc(c(c1)SC2=C(CC(CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl","InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2/t13-/m1/s1","","2014-08-26","2014-12-19","(5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one","2014-12-24"],["DUE","(2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid","C26 H28 N6 O6 S2","NCc1ccc(cc1)c2cc3ccoc3c(c2)[S](=O)(=O)Nc4ccsc4C(=O)N[CH](CCCNC(N)=N)C(O)=O;c1cc(ccc1CN)c2cc3ccoc3c(c2)S(=O)(=O)Nc4ccsc4C(=O)NC(CCCNC(=N)N)C(=O)O","InChI=1S/C26H28N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-8,10-13,20,32H,1-2,9,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1","","2018-01-31","2018-10-12","(2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid","2018-10-17"],["W14","2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol","C11 H10 F3 N O2","FC(F)(F)C(=O)N2Cc1c(ccc(O)c1)CC2;Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F;c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F","InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2","","2010-10-05","2011-06-04","2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone",""],["W15","2-(2-chloro-6-fluorophenyl)ethan-1-amine","C8 H9 Cl F N","Clc1cccc(F)c1CCN;NCCc1c(F)cccc1Cl;c1cc(c(c(c1)Cl)CCN)F","InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2","","2022-08-03","2023-05-26","2-(2-chloro-6-fluorophenyl)ethan-1-amine","2023-05-31"],["DUG","(3-chloro-4-fluorophenoxy)acetaldehyde","C8 H6 Cl F O3","Fc1ccc(cc1Cl)OCC=O;OC(=O)COc1ccc(F)c(Cl)c1;c1cc(c(cc1OCC(=O)O)Cl)F","InChI=1S/C8H6ClFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)","","2017-11-07","2024-09-27","(3-chloro-4-fluorophenoxy)acetaldehyde","2018-10-17"],["W16","5-(2-CHLOROETHYL)-1,3,4-THIADIAZOL-2-AMINE","C4 H6 Cl N3 S","ClCCc1nnc(s1)N;Nc1sc(CCCl)nn1;C(CCl)c1nnc(s1)N","InChI=1S/C4H6ClN3S/c5-2-1-3-7-8-4(6)9-3/h1-2H2,(H2,6,8)","","2011-05-03","2012-05-18","5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine",""],["DUH","2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide","C20 H11 F4 N3 O2","Oc1nn2ccccc2c1C(=O)Nc3c(F)c(F)c(c(F)c3F)c4ccccc4;c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F","InChI=1S/C20H11F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-9H,(H,25,28)(H,26,29)","","2018-01-31","2018-07-06","2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide","2018-07-11"],["W17","1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide","C6 H9 N3 O2","n1n(cc(C(=O)N)c1)CCO;NC(=O)c1cnn(CCO)c1;c1c(cn(n1)CCO)C(=O)N","InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11)","","2020-09-24","2021-01-08","1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide","2021-01-13"],["DUI","4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","C13 H11 N3 O4","O=C1NC(=O)CCC1N1C(=O)c2cccc(N)c2C1=O;Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12;c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O","InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1","","2021-11-30","2023-01-20","4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione","2023-01-25"],["W18","4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide","C11 H16 N2 O2","O=C(NC(CC)CO)c1ccc(N)cc1;CC[CH](CO)NC(=O)c1ccc(N)cc1;CCC(CO)NC(=O)c1ccc(cc1)N","InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1","","2022-09-02","2022-10-28","4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide","2022-11-02"],["DUK","(2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide","C14 H12 Cl N5 O2 S","O=C(N)C(C)SC3=Nc2n(c1cccc(c1)Cl)ncc2C(N3)=O;C[CH](SC1=Nc2n(ncc2C(=O)N1)c3cccc(Cl)c3)C(N)=O;CC(C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1","InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)/t7-/m1/s1","","2017-04-24","2018-08-03","(2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide","2018-08-08"],["DUL","5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide","C13 H13 N O S2","CCSc1cccc(c1)c2sc(cc2)C(N)=O;CCSc1cccc(c1)c2ccc(s2)C(=O)N","InChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15)","","2015-03-09","2015-05-08","5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide","2015-05-13"],["W19","4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide","C25 H22 Cl N5 O3 S","O=C(NCCO)C5=Cc1c(ncnc1Nc4ccc(Oc2cccc3sccc23)c(Cl)c4)NCC5;OCCNC(=O)C1=Cc2c(NCC1)ncnc2Nc3ccc(Oc4cccc5sccc45)c(Cl)c3;c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO","InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)","","2012-12-19","2013-03-01","4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide","2013-03-06"],["DUM","DUMMY ATOMS","X","*","","","1999-07-08","2020-06-27","",""],["W1A","N-[(piperidin-4-yl)methyl]methanesulfonamide","C7 H16 N2 O2 S","N1CCC(CC1)CNS(=O)(=O)C;C[S](=O)(=O)NCC1CCNCC1;CS(=O)(=O)NCC1CCNCC1","InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3","","2020-09-24","2021-01-08","N-[(piperidin-4-yl)methyl]methanesulfonamide","2021-01-13"],["DUN","2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE","C9 H15 N3 O10 P2","O=P(O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(NP(=O)(O)O)O)O","InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8+/m0/s1","2,4(1H,3H)-PYRIMIDINEDIONE; 1-[2-DEOXY-5-O-[HYDROXY(PHOSPHONOAMINO)PHOSPHINYL]-BETA-D-ERYTHRO-PENTOFURANOSYL]-","2004-07-09","2020-01-26","2'-deoxy-5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]uridine",""],["W1B","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide","C12 H13 N3 O4","Nc1ccc(c(O)c1)C(=O)N[CH]2CCC(=O)NC2=O;c1cc(c(cc1N)O)C(=O)NC2CCC(=O)NC2=O","InChI=1S/C12H13N3O4/c13-6-1-2-7(9(16)5-6)11(18)14-8-3-4-10(17)15-12(8)19/h1-2,5,8,16H,3-4,13H2,(H,14,18)(H,15,17,19)/t8-/m0/s1","","2023-04-24","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide","2023-11-15"],["W1C","N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide","C21 H32 N4 O5","CC(C)(C)CC(NC(=O)OCc1cccnc1)C(=O)NC(CC1CCNC1=O)CO;CC(C)(C)C[CH](NC(=O)OCc1cccnc1)C(=O)N[CH](CO)C[CH]2CCNC2=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2cccnc2","InChI=1S/C21H32N4O5/c1-21(2,3)10-17(25-20(29)30-13-14-5-4-7-22-11-14)19(28)24-16(12-26)9-15-6-8-23-18(15)27/h4-5,7,11,15-17,26H,6,8-10,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-/m0/s1","","2023-09-21","2024-09-27","N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide","2024-09-25"],["DUO","4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER","C26 H27 N3 O8","O=C(N3c2cc(O)c1c(C(=O)C(C(=O)OC)(N1)C)c2C(C)C3)c5cc4cc(OC)c(OC)c(OC)c4n5;COC(=O)[C]1(C)Nc2c(O)cc3N(C[CH](C)c3c2C1=O)C(=O)c4[nH]c5c(c4)cc(OC)c(OC)c5OC;CC1CN(c2c1c3c(c(c2)O)NC(C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC","InChI=1S/C26H27N3O8/c1-11-10-29(14-9-15(30)20-18(17(11)14)23(31)26(2,28-20)25(33)37-6)24(32)13-7-12-8-16(34-3)21(35-4)22(36-5)19(12)27-13/h7-9,11,27-28,30H,10H2,1-6H3/t11-,26-/m1/s1","DUOCARMYCIN A","1999-07-08","2021-03-01","methyl (2R,8S)-4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate",""],["W1D","(4-acetylphenoxy)acetic acid","C10 H10 O4","c1cc(ccc1OCC(O)=O)C(C)=O;CC(=O)c1ccc(OCC(O)=O)cc1;CC(=O)c1ccc(cc1)OCC(=O)O","InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)","","2020-09-24","2021-01-08","(4-acetylphenoxy)acetic acid","2021-01-13"],["DUP","2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE","C9 H16 N3 O13 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8+/m0/s1","","2003-12-17","2011-06-04","2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine",""],["W1E","2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate","C10 H16 O4 S","O=S1(=O)C=CC(CC(=O)OCC(C)C)C1;CC(C)COC(=O)C[CH]1C[S](=O)(=O)C=C1;CC(C)COC(=O)CC1CS(=O)(=O)C=C1","InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1","","2022-09-02","2022-10-28","2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate","2022-11-02"],["DUQ","(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide","C30 H31 N3 O5","OCCNC(=O)[CH](CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)CN4C=CC(=O)NC4=O;c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCCC(CN4C=CC(=O)NC4=O)C(=O)NCCO","InChI=1S/C30H31N3O5/c34-20-18-31-28(36)23(22-33-19-16-27(35)32-29(33)37)17-21-38-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,19,23,34H,17-18,20-22H2,(H,31,36)(H,32,35,37)/t23-/m0/s1","5'-TRITYLATED DEOXYURIDINE ANALOGUE","2011-02-04","2020-06-17","(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide",""],["W1F","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide","C13 H15 N3 O4","COc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O;COc1cc(ccc1C(=O)NC2CCC(=O)NC2=O)N","InChI=1S/C13H15N3O4/c1-20-10-6-7(14)2-3-8(10)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1","","2023-04-24","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide","2023-11-15"],["DUR","2'-DEOXYURIDINE","C9 H12 N2 O5","O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CO;OC[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)CO)O","InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1","","1999-07-08","2011-06-04","2'-deoxyuridine",""],["W1G","2-PHENOXY-5-(2-PROPENYL)PHENOL","C15 H14 O2","O(c1ccccc1)c2ccc(cc2O)CC=C;Oc1cc(CC=C)ccc1Oc2ccccc2;C=CCc1ccc(c(c1)O)Oc2ccccc2","InChI=1S/C15H14O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h2-5,7-11,16H,1,6H2","","2013-05-15","2014-09-05","2-phenoxy-5-(prop-2-en-1-yl)phenol","2013-06-05"],["DUS","2'-deoxy-5'-O-sulfouridine","C9 H12 N2 O8 S","O=S(OCC1C(O)CC(O1)N2C=CC(=O)NC2=O)(=O)O;O[CH]1C[CH](O[CH]1CO[S](O)(=O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O","InChI=1S/C9H12N2O8S/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H,15,16,17)/t5-,6+,8+/m0/s1","2'-deoxyuridine-5'-monosulfate","2016-03-09","2020-06-17","2'-deoxy-5'-O-sulfouridine","2016-06-08"],["DUT","DEOXYURIDINE-5'-TRIPHOSPHATE","C9 H15 N2 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O","InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1","","2000-05-11","2011-06-04","2'-deoxyuridine 5'-(tetrahydrogen triphosphate)",""],["W1I","N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide","C8 H11 Br N2 O2 S","Brc1ccccc1NS(=O)(=O)N(C)C;CN(C)[S](=O)(=O)Nc1ccccc1Br;CN(C)S(=O)(=O)Nc1ccccc1Br","InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3","","2022-09-02","2022-10-28","N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide","2022-11-02"],["W1J","N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide","C9 H11 N5 O2","n2nc(NC(=O)c1ccco1)nn2CCC;CCCn1nnc(NC(=O)c2occc2)n1;CCCn1nc(nn1)NC(=O)c2ccco2","InChI=1S/C9H11N5O2/c1-2-5-14-12-9(11-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,12,15)","","2020-09-24","2021-01-08","N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide","2021-01-13"],["DUU","1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine","C32 H54 N10 O5","NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2ccc(CNC(=O)CCCNC(=O)[CH](CCCCNC1=O)NC(N)=N)cc2;c1cc2ccc1CC(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NCCCC(=O)NC2)NC(=N)N)CCCCN)CCCCN","InChI=1S/C32H54N10O5/c33-16-4-1-8-24-29(45)37-18-6-3-10-25(42-32(35)36)30(46)38-19-7-11-27(43)39-21-23-14-12-22(13-15-23)20-28(44)40-26(31(47)41-24)9-2-5-17-34/h12-15,24-26H,1-11,16-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25+,26-/m0/s1","","2019-09-03","2020-06-12","1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine","2020-06-17"],["W1K","6-[4-[6-[2-[3-[[4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-5,5-dimethyl-6-oxidanylidene-hexyl]phenyl]-2,2-dimethyl-hexanoic acid","C43 H68 N7 O19 P3 S","CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)(C)CCCCc4ccc(CCCCC(C)(C)C(O)=O)cc4;CC(C)(CCCCc1ccc(cc1)CCCCC(C)(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)C(=O)O","InChI=1S/C43H68N7O19P3S/c1-41(2,39(55)56)18-9-7-11-27-13-15-28(16-14-27)12-8-10-19-42(3,4)40(57)73-22-21-45-30(51)17-20-46-37(54)34(53)43(5,6)24-66-72(63,64)69-71(61,62)65-23-29-33(68-70(58,59)60)32(52)38(67-29)50-26-49-31-35(44)47-25-48-36(31)50/h13-16,25-26,29,32-34,38,52-53H,7-12,17-24H2,1-6H3,(H,45,51)(H,46,54)(H,55,56)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t29-,32-,33-,34?,38-/m1/s1","","2023-04-24","2026-02-27","6-[4-[6-[2-[3-[[4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-5,5-dimethyl-6-oxidanylidene-hexyl]phenyl]-2,2-dimethyl-hexanoic acid","2026-03-04"],["DUV","(2R)-2-methanoylhept-6-ynoic acid","C8 H10 O3","OC(=O)[CH](CCCC#C)C=O;C#CCCCC(C=O)C(=O)O","InChI=1S/C8H10O3/c1-2-3-4-5-7(6-9)8(10)11/h1,6-7H,3-5H2,(H,10,11)/t7-/m1/s1","","2017-09-21","2024-09-27","(2~{R})-2-methanoylhept-6-ynoic acid","2018-05-23"],["W1L","(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide","C28 H32 Cl2 N4 O4","CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1;CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)N(c4ccc(Cl)cc4)c5ccc(Cl)cc5;CC1(C2C1C(N(C2)C(=O)N(c3ccc(cc3)Cl)c4ccc(cc4)Cl)C(=O)NC(CC5CCNC5=O)CO)C","InChI=1S/C28H32Cl2N4O4/c1-28(2)22-14-33(24(23(22)28)26(37)32-19(15-35)13-16-11-12-31-25(16)36)27(38)34(20-7-3-17(29)4-8-20)21-9-5-18(30)6-10-21/h3-10,16,19,22-24,35H,11-15H2,1-2H3,(H,31,36)(H,32,37)/t16-,19-,22-,23-,24-/m0/s1","","2023-09-21","2024-09-27","(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide","2024-09-25"],["DUW","(2R)-2-methanoyl-3-phenyl-propanoic acid","C10 H10 O3","OC(=O)[CH](Cc1ccccc1)C=O;c1ccc(cc1)CC(C=O)C(=O)O","InChI=1S/C10H10O3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,12,13)/t9-/m1/s1","","2017-09-21","2024-09-27","(2~{R})-2-methanoyl-3-phenyl-propanoic acid","2018-05-23"],["W1M","3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid","C12 H11 N3 O3","n2c(C(=O)Nc1cc(ccc1)C(=O)O)ccn2C;Cn1ccc(n1)C(=O)Nc2cccc(c2)C(O)=O;Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O","InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)","","2020-09-24","2021-01-08","3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid","2021-01-13"],["DUX","2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE","C28 H25 F N2 O4","O=C1NC(=O)N(C=C1)C2OC(C(F)C2)COC(c3ccccc3)(c4ccccc4)c5ccccc5;F[CH]1C[CH](O[CH]1COC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O;c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC4C(CC(O4)N5C=CC(=O)NC5=O)F","InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1","1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE","2004-05-05","2021-03-13","2',3'-dideoxy-3'-fluoro-5'-O-trityluridine",""],["W1N","(3S)-3-amino-4-(2-fluorophenyl)butanoic acid","C10 H12 F N O2","Fc1ccccc1CC(N)CC(=O)O;N[CH](CC(O)=O)Cc1ccccc1F;c1ccc(c(c1)CC(CC(=O)O)N)F","InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1","","2022-09-02","2022-10-28","(3S)-3-amino-4-(2-fluorophenyl)butanoic acid","2022-11-02"],["DUY","(2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid","C29 H40 Br N3 O6","C(N3CCC(C(=O)NC(C1CCCC1)C(O)=O)(c2ccc(Br)cc2)CC3)(C4CCCN4C(OC(C)(C)C)=O)=O;CC(C)(C)OC(=O)N1CCC[CH]1C(=O)N2CCC(CC2)(C(=O)N[CH](C3CCCC3)C(O)=O)c4ccc(Br)cc4;CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)NC(C4CCCC4)C(=O)O","InChI=1S/C29H40BrN3O6/c1-28(2,3)39-27(38)33-16-6-9-22(33)24(34)32-17-14-29(15-18-32,20-10-12-21(30)13-11-20)26(37)31-23(25(35)36)19-7-4-5-8-19/h10-13,19,22-23H,4-9,14-18H2,1-3H3,(H,31,37)(H,35,36)/t22-,23-/m0/s1","","2017-11-08","2018-01-05","(2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid","2018-01-10"],["W1O","1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid","C25 H26 F N5 O6 S","N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1;c1cc(ccc1CNC(=O)N2CCN(CC2)c3cc4c(cc3F)C(=O)C(=CN4C5CC5)C(=O)O)S(=O)(=O)N","InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37)","","2023-04-24","2024-04-26","1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid","2024-05-01"],["DUZ","5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)","C17 H20 N3 O9 P","O=P(O)(O)OCC3OC(N2C(=O)NC(=O)C(C(=O)NCc1ccccc1)=C2)CC3O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCc3ccccc3)C(=O)NC2=O;c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C17H20N3O9P/c21-12-6-14(29-13(12)9-28-30(25,26)27)20-8-11(16(23)19-17(20)24)15(22)18-7-10-4-2-1-3-5-10/h1-5,8,12-14,21H,6-7,9H2,(H,18,22)(H,19,23,24)(H2,25,26,27)/t12-,13+,14+/m0/s1","","2012-11-07","2012-11-16","5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)","2012-11-16"],["W1P","5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","C10 H10 N2 O","N2(c1ccccc1)C(=O)CC(=N2)C;CC1=NN(C(=O)C1)c2ccccc2;CC1=NN(C(=O)C1)c2ccccc2","InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3","","2020-09-24","2021-01-08","5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","2021-01-13"],["DV0","1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","C31 H52 N10 O5","C[CH]1NC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC1=O)c2)NC(N)=N;CC1C(=O)NCc2cccc(c2)CC(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=N)N)CCCCN)CCCCN","InChI=1S/C31H52N10O5/c1-20-27(43)37-19-22-10-8-9-21(17-22)18-26(42)39-24(12-3-6-15-33)30(46)40-23(11-2-5-14-32)28(44)36-16-7-4-13-25(29(45)38-20)41-31(34)35/h8-10,17,20,23-25H,2-7,11-16,18-19,32-33H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,42)(H,40,46)(H4,34,35,41)/t20-,23+,24+,25-/m1/s1","","2019-09-03","2020-06-12","1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine","2020-06-17"],["DV1","(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol","C10 H16 N2 O4 S","OC[CH]1O[CH]2SC(=N[CH]2[CH](O)[CH]1O)NCC=C;C=CCNC1=NC2C(C(C(OC2S1)CO)O)O","InChI=1S/C10H16N2O4S/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h2,5-9,13-15H,1,3-4H2,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1","Propyleneaminothiazoline","2015-10-21","2021-03-01","(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol","2016-08-31"],["W1Q","(2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide","C19 H18 F N5 O3 S","Nc1ncnc2cc(cc(F)c12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4;c1cc(cc(c1)S(=O)(=O)NC(=O)C2CCCN2)c3cc4c(c(c3)F)c(ncn4)N","InChI=1S/C19H18FN5O3S/c20-14-8-12(9-16-17(14)18(21)24-10-23-16)11-3-1-4-13(7-11)29(27,28)25-19(26)15-5-2-6-22-15/h1,3-4,7-10,15,22H,2,5-6H2,(H,25,26)(H2,21,23,24)/t15-/m1/s1","","2023-09-12","2024-08-30","(2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide","2024-09-04"],["W1S","(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide","C8 H11 N3 O","n21CCCC(c1ncc2)C(=O)N;NC(=O)[CH]1CCCn2ccnc12;c1cn2c(n1)C(CCC2)C(=O)N","InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)/t6-/m1/s1","","2020-09-24","2021-01-08","(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide","2021-01-13"],["DV2","~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide","C21 H26 N4 O3 S2","C[CH](NC(C)=O)C(=O)N1C[CH](O)C[CH]1C(=S)NCc2ccc(cc2)c3scnc3C;Cc1c(scn1)c2ccc(cc2)CNC(=S)C3CC(CN3C(=O)C(C)NC(=O)C)O","InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(29)18-8-17(27)10-25(18)21(28)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,29)(H,24,26)/t13-,17+,18-/m0/s1","","2018-02-01","2018-04-06","~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide","2018-04-11"],["DV3","1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol","C5 H11 O5 P S","O(P(S)(O)=O)CC1OCCC1O;O[CH]1CCO[CH]1CO[P](O)(S)=O;C1COC(C1O)COP(=O)(O)S","InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1","","2017-11-22","2018-08-10","1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol","2018-08-15"],["W1T","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide","C12 H12 F N3 O3","Nc1ccc(c(F)c1)C(=O)N[CH]2CCC(=O)NC2=O;c1cc(c(cc1N)F)C(=O)NC2CCC(=O)NC2=O","InChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/t9-/m0/s1","","2023-04-24","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide","2023-11-15"],["W1U","N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide","C24 H36 N4 O4","O=C(NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)N1CCC1c1ccccc1;CC(C)(C)C[CH](NC(=O)N1CC[CH]1c2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)N2CCC2c3ccccc3","InChI=1S/C24H36N4O4/c1-24(2,3)14-19(22(31)26-18(15-29)13-17-9-11-25-21(17)30)27-23(32)28-12-10-20(28)16-7-5-4-6-8-16/h4-8,17-20,29H,9-15H2,1-3H3,(H,25,30)(H,26,31)(H,27,32)/t17-,18+,19-,20+/m0/s1","","2023-09-21","2024-09-27","N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide","2024-09-25"],["DV4","4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide","C22 H28 N8 O4","c2(C(=O)NCCCC(=O)Nc1ccn(C)c1)n(cc(n2)NC(c3cc(cn3C)NC(C)=O)=O)C;Cn1ccc(NC(=O)CCCNC(=O)c2nc(NC(=O)c3cc(NC(C)=O)cn3C)cn2C)c1;CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C","InChI=1S/C22H28N8O4/c1-14(31)24-16-10-17(29(3)12-16)21(33)27-18-13-30(4)20(26-18)22(34)23-8-5-6-19(32)25-15-7-9-28(2)11-15/h7,9-13H,5-6,8H2,1-4H3,(H,23,34)(H,24,31)(H,25,32)(H,27,33)","","2017-11-08","2018-02-23","4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide","2018-02-28"],["DV5","(2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C21 H26 N4 O3 S2","C[CH](NC(C)=O)C(=S)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=S)C(C)NC(=O)C)O","InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1","","2018-02-01","2018-04-06","(2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2018-04-11"],["W1V","2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide","C8 H13 N3 O","n1(C)nc(c(CC(N)=O)c1C)C;Cn1nc(C)c(CC(N)=O)c1C;Cc1c(c(n(n1)C)C)CC(=O)N","InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12)","","2020-09-24","2021-01-08","2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide","2021-01-13"],["DV6","[(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium","C9 H18 N3 O2 S2","C[N+](C)(C)[CH](CC1=CN[CH](N1)SS)C(O)=O;C[N+](C)(C)C(CC1=CNC(N1)SS)C(=O)O","InChI=1S/C9H17N3O2S2/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7,9-11H,4H2,1-3H3,(H-,13,14,15)/p+1/t7-,9-/m0/s1","","2019-09-03","2024-09-27","[(2~{S})-3-[(2~{S})-2-(disulfanyl)-2,3-dihydro-1~{H}-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium","2020-08-26"],["W1W","6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine","C10 H9 N3 S","Nc1cnc(Sc2ncccc2)cc1;Nc1ccc(Sc2ccccn2)nc1;c1ccnc(c1)Sc2ccc(cn2)N","InChI=1S/C10H9N3S/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9/h1-7H,11H2","","2022-09-02","2022-10-28","6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine","2022-11-02"],["W1X","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide","C13 H12 F3 N3 O3","Nc1ccc(C(=O)N[CH]2CCC(=O)NC2=O)c(c1)C(F)(F)F;c1cc(c(cc1N)C(F)(F)F)C(=O)NC2CCC(=O)NC2=O","InChI=1S/C13H12F3N3O3/c14-13(15,16)8-5-6(17)1-2-7(8)11(21)18-9-3-4-10(20)19-12(9)22/h1-2,5,9H,3-4,17H2,(H,18,21)(H,19,20,22)/t9-/m0/s1","","2023-04-24","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide","2023-11-15"],["DV7","L-(7-hydroxycoumarin-4-yl)ethylglycine","C13 H13 N O5","C(C(CCC=2c1ccc(O)cc1OC(C=2)=O)N)(=O)O;N[CH](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O;c1cc2c(cc1O)OC(=O)C=C2CCC(C(=O)O)N","InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1","(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid","2017-11-09","2024-09-27","(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid","2018-11-14"],["W1Y","N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine","C11 H13 N3","n1n(cc(CNC)c1)c2ccccc2;CNCc1cnn(c1)c2ccccc2;CNCc1cnn(c1)c2ccccc2","InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3","","2020-09-24","2021-01-08","N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine","2021-01-13"],["DV8","~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide","C21 H26 N4 O2 S3","C[CH](NC(C)=O)C(=S)N1C[CH](O)C[CH]1C(=S)NCc2ccc(cc2)c3scnc3C;Cc1c(scn1)c2ccc(cc2)CNC(=S)C3CC(CN3C(=S)C(C)NC(=O)C)O","InChI=1S/C21H26N4O2S3/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1","","2018-02-01","2018-04-06","~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide","2018-04-11"],["DV9","(2S)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid","C6 H10 F2 N O6 P","N[CH](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O;C(CC(=O)C(F)(F)P(=O)(O)O)C(C(=O)O)N","InChI=1S/C6H10F2NO6P/c7-6(8,16(13,14)15)4(10)2-1-3(9)5(11)12/h3H,1-2,9H2,(H,11,12)(H2,13,14,15)/t3-/m0/s1","","2019-09-06","2024-09-27","(2~{S})-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid","2021-09-08"],["W1Z","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid","C23 H11 F23 N2 O3","OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","InChI=1S/C23H11F23N2O3/c24-13(25,12(51)48-10(11(49)50)5-7-6-47-9-4-2-1-3-8(7)9)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)22(42,43)23(44,45)46/h1-4,6,10,47H,5H2,(H,48,51)(H,49,50)/t10-/m0/s1","","2016-02-17","2017-02-03","(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid","2017-02-08"],["W20","(2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide","C19 H17 F2 N5 O3 S","Nc1ncnc2c(F)c(ccc12)c3ccc(F)c(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4;c1cc(c(cc1c2ccc3c(c2F)ncnc3N)S(=O)(=O)NC(=O)C4CCCN4)F","InChI=1S/C19H17F2N5O3S/c20-13-6-3-10(11-4-5-12-17(16(11)21)24-9-25-18(12)22)8-15(13)30(28,29)26-19(27)14-2-1-7-23-14/h3-6,8-9,14,23H,1-2,7H2,(H,26,27)(H2,22,24,25)","","2023-09-12","2024-08-30","(2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide","2024-09-04"],["DVA","D-VALINE","C5 H11 N O2","O=C(O)C(N)C(C)C;CC(C)[CH](N)C(O)=O;CC(C)C(C(=O)O)N","InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1","","1999-07-08","2023-11-03","D-valine",""],["DVC","(2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol","C7 H15 N O4","OC1OC(C(O)(O)C(N)(C)C1)C;C[CH]1O[CH](O)C[C](C)(N)C1(O)O;CC1C(C(CC(O1)O)(C)N)(O)O","InChI=1S/C7H15NO4/c1-4-7(10,11)6(2,8)3-5(9)12-4/h4-5,9-11H,3,8H2,1-2H3/t4-,5+,6-/m0/s1","","2011-01-10","2024-09-27","(2R,4S,6S)-4-amino-4,6-dimethyldihydro-2H-pyran-2,5,5(6H)-triol (non-preferred name)",""],["W21","N-(cyclopentanecarbonyl)-L-alanine","C9 H15 N O3","C1CCCC1C(NC(C(=O)O)C)=O;C[CH](NC(=O)C1CCCC1)C(O)=O;CC(C(=O)O)NC(=O)C1CCCC1","InChI=1S/C9H15NO3/c1-6(9(12)13)10-8(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1","","2020-09-24","2021-01-08","N-(cyclopentanecarbonyl)-L-alanine","2021-01-13"],["W22","[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid","C12 H14 N2 O3","O=C2N(Cc1c(cccc1)NC2CC(=O)O)C;CN1Cc2ccccc2N[CH](CC(O)=O)C1=O;CN1Cc2ccccc2NC(C1=O)CC(=O)O","InChI=1S/C12H14N2O3/c1-14-7-8-4-2-3-5-9(8)13-10(12(14)17)6-11(15)16/h2-5,10,13H,6-7H2,1H3,(H,15,16)/t10-/m0/s1","","2009-06-18","2011-06-04","[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid",""],["DVD","N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide","C27 H25 N7 O3 S","C6n5c(cc(NC4=CC(c1c(c(ccc1)NC(c3cc2c(cccc2)s3)=O)CO)=NNC4=O)n5)CN(C6)C;CN1CCn2nc(NC3=CC(=NNC3=O)c4cccc(NC(=O)c5sc6ccccc6c5)c4CO)cc2C1;CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1","InChI=1S/C27H25N7O3S/c1-33-9-10-34-17(14-33)12-25(32-34)28-22-13-21(30-31-26(22)36)18-6-4-7-20(19(18)15-35)29-27(37)24-11-16-5-2-3-8-23(16)38-24/h2-8,11-13,35H,9-10,14-15H2,1H3,(H,29,37)(H,31,36)(H,28,30,32)","","2017-11-09","2018-11-02","N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide","2018-11-07"],["W23","2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol","C10 H10 F3 N O3 S","FC(F)(F)S(=O)(=O)N2Cc1c(cc(O)cc1)CC2;Oc1ccc2CN(CCc2c1)[S](=O)(=O)C(F)(F)F;c1cc2c(cc1O)CCN(C2)S(=O)(=O)C(F)(F)F","InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2","","2010-10-05","2011-06-04","2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol",""],["DVE","Obtusifoliol","C30 H50 O","CC(C)C(=C)CC[CH](C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)[CH](C)[CH]4CC3;CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C","InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1","","2018-02-02","2018-10-19","(3~{S},4~{S},5~{S},10~{S},13~{R},14~{R},17~{R})-4,10,13,14-tetramethyl-17-[(2~{R})-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol","2018-10-24"],["W24","(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide","C9 H18 N2 O3 S","N1(CCCC(C1C)C(NC)=O)S(C)(=O)=O;CNC(=O)[CH]1CCCN([CH]1C)[S](C)(=O)=O;CC1C(CCCN1S(=O)(=O)C)C(=O)NC","InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1","","2020-09-24","2021-01-08","(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide","2021-01-13"],["DVF","5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine","C22 H23 N5","CC(C)c1ccccc1c2nc(NCc3ccccn3)c4n(C)ccc4n2;CC(C)c1ccccc1c2nc3ccn(c3c(n2)NCc4ccccn4)C","InChI=1S/C22H23N5/c1-15(2)17-9-4-5-10-18(17)21-25-19-11-13-27(3)20(19)22(26-21)24-14-16-8-6-7-12-23-16/h4-13,15H,14H2,1-3H3,(H,24,25,26)","","2021-12-20","2022-08-22","5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine","2022-05-18"],["DVG","Divanadate Glycerol ester","C3 H10 O8 V2","OC[CH]1CO[V]2(O)(O)O[V](O)(O)[O+]12;C1C([O+]2[V](O[V]2(O1)(O)O)(O)O)CO","InChI=1S/C3H6O3.4H2O.O.2V/c4-1-3(6)2-5;;;;;;;/h3-4H,1-2H2;4*1H2;;;/q;;;;;;+2;+3/p-4/t3-;;;;;;;/m1......./s1","","2015-04-29","2015-10-23","[(2R)-5,5,7,7-tetrakis(oxidanyl)-4,6-dioxa-1-oxonia-5$l^{5},7$l^{4}-divanadabicyclo[3.2.0]heptan-2-yl]methanol","2015-10-28"],["W25","(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid","C8 H6 F2 O3","Fc1ccc(cc1F)C(O)C(=O)O;O[CH](C(O)=O)c1ccc(F)c(F)c1;c1cc(c(cc1C(C(=O)O)O)F)F","InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m1/s1","","2022-09-02","2022-10-28","(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid","2022-11-02"],["W26","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide","C13 H15 N3 O3","Cc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O;Cc1cc(ccc1C(=O)NC2CCC(=O)NC2=O)N","InChI=1S/C13H15N3O3/c1-7-6-8(14)2-3-9(7)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6,10H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t10-/m0/s1","","2023-04-25","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide","2023-11-15"],["DVH","(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol","C8 H14 O2","C1(CCC(C=C)CC1O)O;O[CH]1CC[CH](C[CH]1O)C=C;C=CC1CCC(C(C1)O)O","InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m1/s1","","2016-11-11","2024-09-27","(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol","2017-10-11"],["W27","1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one","C12 H14 N2 O","n1cccc2c1CC3CCC2N3C(=O)C;CC(=O)N1[CH]2CC[CH]1c3cccnc3C2;CC(=O)N1C2CCC1c3cccnc3C2","InChI=1S/C12H14N2O/c1-8(15)14-9-4-5-12(14)10-3-2-6-13-11(10)7-9/h2-3,6,9,12H,4-5,7H2,1H3/t9-,12+/m1/s1","","2020-09-24","2021-01-08","1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one","2021-01-13"],["DVI","methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate","C33 H32 N6 O5","COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3;Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)NC(=O)C5CC(CCC5=O)(C)C(=O)OC","InChI=1S/C33H32N6O5/c1-20-16-24(9-10-26(20)38-32-35-15-12-27(39-32)22-7-5-14-34-19-22)36-29(41)21-6-4-8-23(17-21)37-30(42)25-18-33(2,31(43)44-3)13-11-28(25)40/h4-10,12,14-17,19,25H,11,13,18H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/t25-,33-/m0/s1","","2023-07-18","2024-09-27","methyl (1~{S},3~{S})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate","2024-07-24"],["W28","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide","C22 H30 N4 O4","CC(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO;CC(C)C[CH](NC(=O)c1[nH]c2ccccc2c1)C(=O)N[CH](CO)C[CH]3CCNC3=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)c2cc3ccccc3[nH]2","InChI=1S/C22H30N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11,13,15-16,18,25,27H,7-10,12H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1","","2023-09-21","2024-09-27","N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide","2024-02-07"],["DVJ","N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide","C28 H27 N7 O3 S","C1CN(C)Cc2cc(nn12)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c6cc5ccccc5s6;CN1CCn2nc(NC3=CC(=NNC3=O)c4cccc(NC(=O)c5sc6ccccc6c5)c4CCO)cc2C1;CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1","InChI=1S/C28H27N7O3S/c1-34-10-11-35-18(16-34)14-26(33-35)29-23-15-22(31-32-27(23)37)19-6-4-7-21(20(19)9-12-36)30-28(38)25-13-17-5-2-3-8-24(17)39-25/h2-8,13-15,36H,9-12,16H2,1H3,(H,30,38)(H,32,37)(H,29,31,33)","","2017-11-09","2018-11-02","N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide","2018-11-07"],["DVK","2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol","C10 H23 N3 O","NCCCCN1CCN(CCO)CC1;C1CN(CCN1CCCCN)CCO","InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2","","2018-02-02","2018-06-01","2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol","2018-06-06"],["W29","4-(3-ethylthiophen-2-yl)benzene-1,2-diol","C12 H12 O2 S","Oc1ccc(cc1O)c2sccc2CC;CCc1ccsc1c2ccc(O)c(O)c2;CCc1ccsc1c2ccc(c(c2)O)O","InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3","","2008-05-11","2011-06-04","4-(3-ethylthiophen-2-yl)benzene-1,2-diol",""],["DVL","3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde","C28 H27 N O8 S","Cc1cc(C=O)c(OCc2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)c(c1)c4sc5ccccc5n4;Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O)C=O","InChI=1S/C28H27NO8S/c1-15-10-17(12-30)26(19(11-15)27-29-20-4-2-3-5-22(20)38-27)35-14-16-6-8-18(9-7-16)36-28-25(34)24(33)23(32)21(13-31)37-28/h2-12,21,23-25,28,31-34H,13-14H2,1H3/t21-,23+,24+,25-,28-/m1/s1","","2019-09-09","2020-07-03","3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde","2020-07-08"],["W2A","(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile","C8 H14 N2 O2 S","N#CC1CCCN(C1C)S(=O)(C)=O;C[CH]1[CH](CCCN1[S](C)(=O)=O)C#N;CC1C(CCCN1S(=O)(=O)C)C#N","InChI=1S/C8H14N2O2S/c1-7-8(6-9)4-3-5-10(7)13(2,11)12/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1","","2020-09-24","2021-01-08","(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile","2021-01-13"],["W2B","N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide","C11 H17 N3 O","O=C(NC1CCCCC1)Cn1cccn1;O=C(Cn1cccn1)NC2CCCCC2;c1cnn(c1)CC(=O)NC2CCCCC2","InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15)","","2022-09-02","2022-10-28","N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide","2022-11-02"],["DVM","acetylsisomicin","C21 H39 N5 O8","C1(OCC(C(C1O)NC)(O)C)OC2C(CC(C(C2O)OC3C(N)CC=C(CN)O3)NC(=O)C)N;CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](NC(C)=O)[CH](O[CH]3OC(=CC[CH]3N)CN)[CH]2O;CC(=O)NC1CC(C(C(C1OC2C(CC=C(O2)CN)N)O)OC3C(C(C(CO3)(C)O)NC)O)N","InChI=1S/C21H39N5O8/c1-9(27)26-13-6-12(24)16(33-20-15(29)18(25-3)21(2,30)8-31-20)14(28)17(13)34-19-11(23)5-4-10(7-22)32-19/h4,11-20,25,28-30H,5-8,22-24H2,1-3H3,(H,26,27)/t11-,12-,13+,14-,15-,16+,17-,18-,19-,20-,21+/m1/s1","N-[(1S,2R,3R,4S,5R)-5-amino-2-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-4-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]acetamide","2017-11-09","2021-03-13","N-[(1S,2R,3R,4S,5R)-5-amino-2-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-4-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]acetamide","2018-02-28"],["DVN","[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C15 H24 N5 O17 P3","O=P(O)(O)OC3C(O)C(OC3n1c2ncnc(N)c2nc1)COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)OP(=O)(O)O)N","InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1","","2012-06-12","2013-03-29","[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)","2013-04-03"],["W2C","(2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide","C22 H24 N4 O2","O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCC(O)C3;O[CH]1CCN[CH](C1)C(=O)N[CH](Cc2ccc(cc2)c3ccc(cc3)C#N)C=N;c1cc(ccc1CC(C=N)NC(=O)C2CC(CCN2)O)c3ccc(cc3)C#N","InChI=1S/C22H24N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,14,19-21,24-25,27H,9-12H2,(H,26,28)/b24-14+/t19-,20-,21-/m0/s1","","2013-10-31","2024-09-27","(2S,4S)-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]-4-hydroxypiperidine-2-carboxamide","2014-03-19"],["W2D","2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide","C17 H14 N6 O4 S","O=S(=O)(N)c1cc2nc(n3nc(nc3c2cc1)N)Cc4ccc5OCOc5c4;Nc1nn2c(Cc3ccc4OCOc4c3)nc5cc(ccc5c2n1)[S](N)(=O)=O;c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2","InChI=1S/C17H14N6O4S/c18-17-21-16-11-3-2-10(28(19,24)25)7-12(11)20-15(23(16)22-17)6-9-1-4-13-14(5-9)27-8-26-13/h1-5,7H,6,8H2,(H2,18,22)(H2,19,24,25)","","2014-04-03","2014-07-03","2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide","2014-07-08"],["DVO","2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid","C15 H12 N2 O6","O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O;C[C]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O;CC1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O","InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1","","2021-11-30","2022-12-09","2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid","2022-12-14"],["W2E","METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE","C16 H12 N2 O3","O=C(OC)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3;COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2;COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2","InChI=1S/C16H12N2O3/c1-21-16(20)11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9H,1H3,(H,17,18,19)","","2013-06-20","2014-09-05","methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate","2013-10-30"],["DVP","METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE","C21 H24 N8 O3","O=C(c3ccc(NCc1nc2c(nc1)nc(nc2N)N)cc3)N4CCC(C(=O)OC)CC4;COC(=O)C1CCN(CC1)C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2;COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N","InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28)","1-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYL}-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER","2005-08-31","2020-06-17","methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]piperidine-4-carboxylate",""],["W2F","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide","C12 H12 Cl N3 O3","Nc1ccc(c(Cl)c1)C(=O)N[CH]2CCC(=O)NC2=O;c1cc(c(cc1N)Cl)C(=O)NC2CCC(=O)NC2=O","InChI=1S/C12H12ClN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/t9-/m0/s1","","2023-04-25","2023-11-10","4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide","2023-11-15"],["DVQ","2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol","C8 H18 N2 O2","OCCN1CCN(CCO)CC1;C1CN(CCN1CCO)CCO","InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2","","2018-02-02","2018-06-01","2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol","2018-06-06"],["W2G","(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid","C10 H12 O2 S","C2C(c1ccsc1)C(C(O)=O)CC2;OC(=O)[CH]1CCC[CH]1c2cscc2;c1cscc1C2CCCC2C(=O)O","InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m1/s1","","2020-09-24","2021-01-08","(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid","2021-01-13"],["DVR","3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID","C16 H15 N3 O6 S","O=S(=O)CC(C=CC(=O)N)=C(C(=O)O)Nc2c(cc1ccccn12)C=O;NC(=O)C=CC(C[SH](=O)=O)=C(Nc1n2ccccc2cc1C=O)C(O)=O;c1ccn2c(c1)cc(c2NC(=C(CS(=O)=O)C=CC(=O)N)C(=O)O)C=O","InChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18,26H,9H2,(H2,17,21)(H,22,23)/b5-4+,14-10-","","2000-12-13","2024-09-27","(2Z,4E)-6-amino-3-[(dioxidosulfanyl)methyl]-2-[(2-formylindolizin-3-yl)amino]-6-oxohexa-2,4-dienoic acid",""],["W2H","(2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide","C19 H19 N5 O3 S","Nc1ncnc2cc(ccc12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4;c1cc(cc(c1)S(=O)(=O)NC(=O)C2CCCN2)c3ccc4c(c3)ncnc4N","InChI=1S/C19H19N5O3S/c20-18-15-7-6-13(10-17(15)22-11-23-18)12-3-1-4-14(9-12)28(26,27)24-19(25)16-5-2-8-21-16/h1,3-4,6-7,9-11,16,21H,2,5,8H2,(H,24,25)(H2,20,22,23)/t16-/m1/s1","","2023-09-14","2024-09-06","(2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide","2024-09-11"],["DVS","5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine","C21 H28 N8 O3 S","N=C(NCc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCNC(=N)NCc4ccccc4)[CH](O)[CH]3O;c1ccc(cc1)CNC(=N)NCCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C21H28N8O3S/c22-18-15-19(27-11-26-18)29(12-28-15)20-17(31)16(30)14(32-20)10-33-8-4-7-24-21(23)25-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14,16-17,20,30-31H,4,7-10H2,(H2,22,26,27)(H3,23,24,25)/t14-,16-,17-,20-/m1/s1","","2023-04-26","2023-05-05","5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine","2023-05-10"],["DVT","DECAVANADATE","O28 V10","[O-][V-]1234O[V-]567([O-])O[V-]89([O-])(O1)[O+]%10[V-]%11%12%13([O-])O[V-]%14%15%16([O-])O[V-]%17%18([O-])(O%11)O[V-]%19%20([O-])(O%14)[O+]%21[V-]%22([O-])(O2)(O5)[O+]%19[V-]%23(O%17)([O+4]6)([O+]8%12)[O]379%22[V-]%10%21(O4)(O%15)[O+4]%13%16%18%20%23;[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]","InChI=1S/28O.10V/q;;;;;;;;;;;;;;8*-1;4*+1;2*+4;10*-1","","2005-09-01","2018-07-10","",""],["W2I","1-[(3-aminophenyl)methyl]piperidin-4-ol","C12 H18 N2 O","Nc1cc(CN2CCC(O)CC2)ccc1;Nc1cccc(CN2CCC(O)CC2)c1;c1cc(cc(c1)N)CN2CCC(CC2)O","InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2","","2022-09-02","2022-10-28","1-[(3-aminophenyl)methyl]piperidin-4-ol","2022-11-02"],["DVU","~{N}-[[4-[6-[[1-[[2-chloranyl-4-(furan-2-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methyl]methanamide","C31 H31 Cl N6 O4","Cn1nc2C(=O)N(CC3(O)CCN(CC3)Cc4ccc(cc4Cl)c5occc5)C=Nc2c1c6ccc(CNC=O)cc6;Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)c5ccco5)O)c6ccc(cc6)CNC=O","InChI=1S/C31H31ClN6O4/c1-36-29(22-6-4-21(5-7-22)16-33-20-39)27-28(35-36)30(40)38(19-34-27)18-31(41)10-12-37(13-11-31)17-24-9-8-23(15-25(24)32)26-3-2-14-42-26/h2-9,14-15,19-20,41H,10-13,16-18H2,1H3,(H,33,39)","","2022-04-16","2023-06-09","~{N}-[[4-[6-[[1-[[2-chloranyl-4-(furan-2-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methyl]methanamide","2023-06-14"],["W2J","[(3R,5R)-5-methylpiperidin-3-yl]methanol","C7 H15 N O","C1(CC(CO)CNC1)C;C[CH]1CNC[CH](CO)C1;CC1CC(CNC1)CO","InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m1/s1","","2020-09-24","2021-01-08","[(3R,5R)-5-methylpiperidin-3-yl]methanol","2021-01-13"],["W2K","4-(4-Methylpiperazin-1-yl)-N-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide","C22 H23 N5 O2","O=C2NC=C(c1ccncc1)C=C2NC(=O)c3ccc(cc3)N4CCN(C)CC4;CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4;CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4","InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)19-4-2-17(3-5-19)21(28)25-20-14-18(15-24-22(20)29)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,28)","","2014-03-24","2015-04-03","4-(4-methylpiperazin-1-yl)-N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide","2015-04-08"],["DVW","five-coordinate platinum(II) compound","C27 H31 N7 O5 Pt","Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7;CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)C8C(C(C(C(O8)O)O)O)O)C)C","InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-15-4-12-2-6(15)5-3-16(14-13-5)10-8(18)7(17)9(19)11(20)21-10;1-2;/h3-8H,1-2H3;2-4,7-11,17-20H,1H3;1-2H2;","","2018-02-02","2018-04-20","","2018-04-25"],["DVX","[(2R)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate","C33 H25 B Br F7 N4 O5","CC1=CC(=[N+]2C1=Cc3ccc(CCC(=O)OC[CH](Oc4ccc(F)c(C(N)=O)c4F)c5oc(Br)c(n5)c6ccc(cc6)C(F)(F)F)n3[B-]2(F)F)C;[B-]1(n2c(ccc2CCC(=O)OCC(c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F","InChI=1S/C33H25BBrF7N4O5/c1-16-13-17(2)45-23(16)14-21-8-7-20(46(21)34(45,41)42)9-12-26(47)49-15-25(50-24-11-10-22(36)27(28(24)37)31(43)48)32-44-29(30(35)51-32)18-3-5-19(6-4-18)33(38,39)40/h3-8,10-11,13-14,25H,9,12,15H2,1-2H3,(H2,43,48)/t25-/m1/s1","","2019-09-10","2020-01-10","[(2~{R})-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate","2020-01-15"],["W2L","(4~{S},6~{S})-4,6-dimethyloctanoic acid","C10 H20 O2","CC[CH](C)C[CH](C)CCC(O)=O;CCC(C)CC(C)CCC(=O)O","InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1","","2022-07-05","2023-07-07","(4~{S},6~{S})-4,6-dimethyloctanoic acid","2023-07-12"],["W2M","(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one","C12 H14 N2 O","N3C2(Cc1c(cccc1)NC2=O)CCC3;O=C1Nc2ccccc2C[C]13CCCN3;c1ccc2c(c1)CC3(CCCN3)C(=O)N2","InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1","","2020-09-24","2021-01-08","(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one","2021-01-13"],["DVY","4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid","C21 H18 N8 O5 S","O=C(Nc1ccc(cc1)c1ccnc(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccc(cc3)c4ccnc(c4)C(O)=O;c1cc(ccc1c2ccnc(c2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N","InChI=1S/C21H18N8O5S/c22-19-27-20(25-14-5-7-16(8-6-14)35(23,33)34)28-29(19)21(32)26-15-3-1-12(2-4-15)13-9-10-24-17(11-13)18(30)31/h1-11H,(H,26,32)(H,30,31)(H2,23,33,34)(H3,22,25,27,28)","","2021-11-30","2024-08-30","4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid","2024-09-04"],["DVZ","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium","C12 H15 N8 O5 S","Nc1ncnc2n([CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O)c(SCC(O)=O)nc12;c1nc(c2c(n1)n(c(n2)SCC(=O)O)C3C(C(C(O3)CN=[N+]=N)O)O)N","InChI=1S/C12H14N8O5S/c13-9-6-10(16-3-15-9)20(12(18-6)26-2-5(21)22)11-8(24)7(23)4(25-11)1-17-19-14/h3-4,7-8,11,14,23-24H,1-2H2,(H2-,13,15,16,21,22)/p+1/t4-,7-,8-,11-/m1/s1","","2018-02-02","2019-03-08","[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium","2019-03-13"],["W2N","(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol","C14 H13 F O","C[CH](O)c1ccc(cc1)c2ccccc2F;CC(c1ccc(cc1)c2ccccc2F)O","InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m0/s1","","2023-09-25","2025-01-10","(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol","2025-01-15"],["W2O","D-phenylalaninamide","C9 H12 N2 O","NC(Cc1ccccc1)C(N)=O;N[CH](Cc1ccccc1)C(N)=O;c1ccc(cc1)CC(C(=O)N)N","InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1","","2022-09-02","2022-10-28","D-phenylalaninamide","2022-11-02"],["DW0","1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)","C17 H20 N8 O4","O=C2c1n(cnc1N(C(=O)N2CCCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C;Cn1cnc2N(C)C(=O)N(CCCN3C(=O)N(C)c4ncn(C)c4C3=O)C(=O)c12;Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","BISDIONIN C;\n1-[3-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)PROPYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DION\nE","2011-03-10","2020-06-17","1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)",""],["W2P","N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide","C27 H28 Cl F3 N6 O2","FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CCCN(C)C)ccc4;CN(C)CCCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12;CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F","InChI=1S/C27H28ClF3N6O2/c1-36(2)12-4-7-24(38)32-11-14-37-13-10-22-25(37)26(34-17-33-22)35-19-8-9-23(21(28)16-19)39-20-6-3-5-18(15-20)27(29,30)31/h3,5-6,8-10,13,15-17H,4,7,11-12,14H2,1-2H3,(H,32,38)(H,33,34,35)","","2012-12-06","2024-09-27","N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide","2013-01-11"],["DW1","Ruthenium pyridocarbazole","C23 H13 N3 O4 Ru","OC1=CC2=C3C(=C4N([Ru]C5C=CC=C5)C=CC=C4C6=C3C(=O)NC6=O)N=C2C=C1.[C-]#[O+];C1=CC(C=C1)[Ru]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O","InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-4-5-3-1;1-2;/h1-6H,(H3,18,19,20,21,22,23);1-5H;;/q;;;+1/p-1","","2009-02-23","2023-09-23","",""],["W2Q","(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid","C24 H26 O4","Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC5CC5)C(O)=O;Cc1ccc(c(c1C(C(=O)O)OC2CC2)c3ccc4c(c3)CCCO4)C5CC5","InChI=1S/C24H26O4/c1-14-4-10-19(15-5-6-15)22(21(14)23(24(25)26)28-18-8-9-18)17-7-11-20-16(13-17)3-2-12-27-20/h4,7,10-11,13,15,18,23H,2-3,5-6,8-9,12H2,1H3,(H,25,26)/t23-/m0/s1","","2023-04-26","2023-06-02","(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid","2023-06-07"],["DW2","RU-PYRIDOCARBAZOLE-2","C23 H13 N3 O4 Ru","Oc1ccc2n([Ru]C3C=CC=C3)c4c5ncccc5c6C(=O)NC(=O)c6c4c2c1.[C-]#[O+];c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O","InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-4-5-3-1;1-2;/h1-6H,(H3,18,19,20,21,22,23);1-5H;;/q;;;+1/p-1","","2005-08-18","2023-09-23","",""],["DW3","2-oxidanylethanal","C2 H4 O2","OCC=O;C(C=O)O","InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","","2019-09-12","2020-07-31","2-oxidanylethanal","2020-08-05"],["W2R","1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea","C29 H33 Cl N6 O4","O=C(NC1CCCCC1)Nc5cccc(Oc2ccc(cc2Cl)Nc3ncnc4c3n(cc4)CCOCCO)c5;OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(NC(=O)NC5CCCCC5)c4)c(Cl)c3)c12;c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5","InChI=1S/C29H33ClN6O4/c30-24-18-22(33-28-27-25(31-19-32-28)11-12-36(27)13-15-39-16-14-37)9-10-26(24)40-23-8-4-7-21(17-23)35-29(38)34-20-5-2-1-3-6-20/h4,7-12,17-20,37H,1-3,5-6,13-16H2,(H,31,32,33)(H2,34,35,38)","","2012-12-11","2013-01-11","1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea","2013-01-11"],["W2S","(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid","C12 H14 O3","c1ccc(c(c1)C2C(C(=O)O)COC2)C;Cc1ccccc1[CH]2COC[CH]2C(O)=O;Cc1ccccc1C2COCC2C(=O)O","InChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10-6-15-7-11(10)12(13)14/h2-5,10-11H,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1","","2020-09-24","2021-01-08","(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid","2021-01-13"],["DW4","benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate","C29 H41 N7 O6","C(OCc1ccccc1)(=O)NC2C(=O)NC(C(NC(CCC(NCCn3cc(C2)nn3)=O)CO)=O)CC4CCCCC4;OC[CH]1CCC(=O)NCCn2cc(C[CH](NC(=O)OCc3ccccc3)C(=O)N[CH](CC4CCCCC4)C(=O)N1)nn2;c1ccc(cc1)COC(=O)NC2Cc3cn(nn3)CCNC(=O)CCC(NC(=O)C(NC2=O)CC4CCCCC4)CO","InChI=1S/C29H41N7O6/c37-18-22-11-12-26(38)30-13-14-36-17-23(34-35-36)16-25(33-29(41)42-19-21-9-5-2-6-10-21)28(40)32-24(27(39)31-22)15-20-7-3-1-4-8-20/h2,5-6,9-10,17,20,22,24-25,37H,1,3-4,7-8,11-16,18-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)/t22-,24-,25-/m0/s1","","2017-11-09","2024-09-27","benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate","2018-11-07"],["DW5","five-coordinate platinum(II) compound","C17 H15 N2 Pt","CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1;CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C","InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-2;;/h3-8H,1-2H3;1-2H2;1H3;","","2018-02-02","2018-04-20","","2018-04-25"],["W2T","(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide","C26 H24 Cl F N4 O3","Fc1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C;C[CH](NC(=O)c1ccc2NC(=O)C(=Cc3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c4ccc(F)cc4;Cc1c([nH]c(c1NC(=O)CCl)C)C=C2c3cc(ccc3NC2=O)C(=O)NC(C)c4ccc(cc4)F","InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1","","2023-09-22","2023-12-08","(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide","2023-12-13"],["DW7","benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate","C30 H43 N7 O6","C(OCc1ccccc1)(=O)NC2Cc4cn(CCCNC(CCC(NC(C(NC2=O)CC3CCCCC3)=O)CO)=O)nn4;OC[CH]1CCC(=O)NCCCn2cc(C[CH](NC(=O)OCc3ccccc3)C(=O)N[CH](CC4CCCCC4)C(=O)N1)nn2;c1ccc(cc1)COC(=O)NC2Cc3cn(nn3)CCCNC(=O)CCC(NC(=O)C(NC2=O)CC4CCCCC4)CO","InChI=1S/C30H43N7O6/c38-19-23-12-13-27(39)31-14-7-15-37-18-24(35-36-37)17-26(34-30(42)43-20-22-10-5-2-6-11-22)29(41)33-25(28(40)32-23)16-21-8-3-1-4-9-21/h2,5-6,10-11,18,21,23,25-26,38H,1,3-4,7-9,12-17,19-20H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t23-,25-,26-/m0/s1","","2017-11-09","2024-09-27","benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate","2018-11-07"],["W2U","(2S)-2-phenoxypropanehydrazide","C9 H12 N2 O2","CC(Oc1ccccc1)C(=O)NN;C[CH](Oc1ccccc1)C(=O)NN;CC(C(=O)NN)Oc1ccccc1","InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1","","2022-09-02","2022-10-28","(2S)-2-phenoxypropanehydrazide","2022-11-02"],["W2V","(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid","C13 H16 O4","c2c(C1CCOCC1C(O)=O)cc(cc2)OC;COc1cccc(c1)[CH]2CCOC[CH]2C(O)=O;COc1cccc(c1)C2CCOCC2C(=O)O","InChI=1S/C13H16O4/c1-16-10-4-2-3-9(7-10)11-5-6-17-8-12(11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1","","2020-09-24","2021-01-08","(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid","2021-01-13"],["DW8","[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","C27 H38 N3 O10 P","CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(NC(=O)COc2ccccc2[P](O)(O)=O)c1;CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O","InChI=1S/C27H38N3O10P/c1-2-11-28-25(31)10-13-37-15-17-39-18-16-38-14-12-29-27(33)21-6-5-7-22(19-21)30-26(32)20-40-23-8-3-4-9-24(23)41(34,35)36/h3-9,19H,2,10-18,20H2,1H3,(H,28,31)(H,29,33)(H,30,32)(H2,34,35,36)","","2018-02-03","2018-06-29","[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","2018-07-04"],["W2W","7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one","C26 H28 F N7 O3 S","CN1CCN(CC1)[S](=O)(=O)c2ccc(NC3=C(C)C(=O)N4C=C(C=CC4=N3)c5cnn(c5)C6CC6)c(F)c2;CC1=C(N=C2C=CC(=CN2C1=O)c3cnn(c3)C4CC4)Nc5ccc(cc5F)S(=O)(=O)N6CCN(CC6)C","InChI=1S/C26H28FN7O3S/c1-17-25(29-23-7-6-21(13-22(23)27)38(36,37)32-11-9-31(2)10-12-32)30-24-8-3-18(15-33(24)26(17)35)19-14-28-34(16-19)20-4-5-20/h3,6-8,13-16,20,29H,4-5,9-12H2,1-2H3","","2023-04-26","2024-04-26","7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one","2024-05-01"],["DW9","2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol","C14 H10 N4 O2 S4","Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1;c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O","InChI=1S/C14H10N4O2S4/c15-13-17-11-7(19)1-5(3-9(11)21-13)23-24-6-2-8(20)12-10(4-6)22-14(16)18-12/h1-4,19-20H,(H2,15,17)(H2,16,18)","","2019-09-13","2020-08-28","2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol","2020-09-02"],["W2X","N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-L-LYSINE","C15 H24 N2 O8 S","O=C(OC(C(=O)O)C(C)CO)C(NC(=O)CCCC(C(=O)O)N)C(S)=C;C[CH](CO)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C(S)=C)C(O)=O;CC(CO)C(C(=O)O)OC(=O)C(C(=C)S)NC(=O)CCCC(C(=O)O)N","InChI=1S/C15H24N2O8S/c1-7(6-18)12(14(22)23)25-15(24)11(8(2)26)17-10(19)5-3-4-9(16)13(20)21/h7,9,11-12,18,26H,2-6,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)/t7-,9+,11+,12-/m1/s1","","2004-07-20","2011-06-04","N~6~-[(1R)-1-({[(1R,2R)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylprop-2-en-1-yl]-6-oxo-L-lysine",""],["DWA","(4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine","C21 H18 F N3 O2","Fc4ncccc4c1cccc(c1)C2(N=C(OC2)N)c3ccc(OC)cc3;COc1ccc(cc1)[C]2(COC(=N2)N)c3cccc(c3)c4cccnc4F;COc1ccc(cc1)C2(COC(=N2)N)c3cccc(c3)c4cccnc4F","InChI=1S/C21H18FN3O2/c1-26-17-9-7-15(8-10-17)21(13-27-20(23)25-21)16-5-2-4-14(12-16)18-6-3-11-24-19(18)22/h2-12H,13H2,1H3,(H2,23,25)/t21-/m1/s1","","2012-07-03","2012-09-07","(4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine","2012-09-07"],["DWB","(4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine","C22 H16 Cl F N2 O3","Clc1cc(c(F)cc1)c5ccc4Oc2c(cc(OC)cc2)C3(N=C(OC3)N)c4c5;COc1ccc2Oc3ccc(cc3[C]4(COC(=N4)N)c2c1)c5cc(Cl)ccc5F;COc1ccc2c(c1)C3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl","InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-9-13(23)3-5-18(15)24/h2-10H,11H2,1H3,(H2,25,26)/t22-/m0/s1","","2012-07-03","2012-09-07","(4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine","2012-09-07"],["W2Y","(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide","C8 H16 N2 O3 S","NC(C1CCCN(S(C)(=O)=O)C1C)=O;C[CH]1[CH](CCCN1[S](C)(=O)=O)C(N)=O;CC1C(CCCN1S(=O)(=O)C)C(=O)N","InChI=1S/C8H16N2O3S/c1-6-7(8(9)11)4-3-5-10(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1","","2020-09-24","2021-01-08","(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide","2021-01-13"],["DWC","PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX","C23 H9 N3 O4 Os","Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7;c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O","InChI=1S/C17H9N3O3.C5H.CO.Os/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-4-5-3-1;1-2;/h1-6H,(H3,18,19,20,21,22,23);1H;;/q;;+1;+2/p-1","","2008-01-18","2023-09-23","",""],["W2Z","(1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol","C21 H27 N3 O3 S","CCS(=O)(=O)N1CCC2(CCC(C2O)C2c3ccccc3c3cncn32)CC1;CC[S](=O)(=O)N1CCC2(CC[CH]([CH]2O)[CH]3n4cncc4c5ccccc35)CC1;CCS(=O)(=O)N1CCC2(CCC(C2O)C3c4ccccc4-c5n3cnc5)CC1","InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-14,17,19-20,25H,2,7-12H2,1H3/t17-,19+,20+/m0/s1","","2023-09-22","2024-11-22","(1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol","2024-11-27"],["W30","6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine","C17 H24 N4 O","COCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC","InChI=1S/C17H24N4O/c1-13-8-15(20-17(18)9-13)5-4-14-10-16(12-19-11-14)21(2)6-7-22-3/h8-12H,4-7H2,1-3H3,(H2,18,20)","","2016-02-10","2016-04-15","6-[2-[5-[2-methoxyethyl(methyl)amino]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine","2016-04-20"],["DWD","(4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine","C23 H22 N4 O3","O4c2ccc(c1cncnc1)cc2C3(N=C(OC3)N)c5c4ccc(OCC(C)C)c5;CC(C)COc1ccc2Oc3ccc(cc3[C]4(COC(=N4)N)c2c1)c5cncnc5;CC(C)COc1ccc2c(c1)C3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5","InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1","","2012-07-03","2012-09-07","(4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine","2012-09-07"],["DWE","[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","C50 H66 N6 O20 P2","O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(NC(=O)COc4ccccc4[P](O)(O)=O)c3;c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O","InChI=1S/C50H66N6O20P2/c57-45(16-22-69-26-30-73-32-28-71-24-20-53-49(61)37-12-14-39(15-13-37)55-47(59)35-75-41-8-1-3-10-43(41)77(63,64)65)51-18-19-52-46(58)17-23-70-27-31-74-33-29-72-25-21-54-50(62)38-6-5-7-40(34-38)56-48(60)36-76-42-9-2-4-11-44(42)78(66,67)68/h1-15,34H,16-33,35-36H2,(H,51,57)(H,52,58)(H,53,61)(H,54,62)(H,55,59)(H,56,60)(H2,63,64,65)(H2,66,67,68)","","2018-02-03","2018-06-29","[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","2018-07-04"],["W31","(1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate","C28 H23 Cl3 O4 S","O=C(OC(c1ccccc1)C)Cc4cc(SC3=C(O)CC(c2c(Cl)cccc2Cl)CC3=O)c(Cl)cc4;C[CH](OC(=O)Cc1ccc(Cl)c(SC2=C(O)C[CH](CC2=O)c3c(Cl)cccc3Cl)c1)c4ccccc4;CC(c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(CC(CC3=O)c4c(cccc4Cl)Cl)O)Cl","InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19-/m0/s1","","2014-08-26","2014-12-19","(1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate","2014-12-24"],["W32","4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide","C25 H23 Cl F3 N5 O4 S","FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc3ncnc2c3C=C(C(=O)NCCS(=O)(=O)C)CCN2)ccc4;C[S](=O)(=O)CCNC(=O)C1=Cc2c(NCC1)ncnc2Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3;CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1","InChI=1S/C25H23ClF3N5O4S/c1-39(36,37)10-9-31-24(35)15-7-8-30-22-19(11-15)23(33-14-32-22)34-17-5-6-21(20(26)13-17)38-18-4-2-3-16(12-18)25(27,28)29/h2-6,11-14H,7-10H2,1H3,(H,31,35)(H2,30,32,33,34)","","2012-12-19","2013-03-01","4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide","2013-03-06"],["DWF","N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","C29 H25 F2 N5 O5 S","Fc1ccc(cc1)NC(=O)C5(C(=O)Nc4ccc(Oc2nc(ncc2)Nc3cccc(c3)CS(=O)(=O)C)c(F)c4)CC5;C[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)n2)c1;CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F","InChI=1S/C29H25F2N5O5S/c1-42(39,40)17-18-3-2-4-21(15-18)35-28-32-14-11-25(36-28)41-24-10-9-22(16-23(24)31)34-27(38)29(12-13-29)26(37)33-20-7-5-19(30)6-8-20/h2-11,14-16H,12-13,17H2,1H3,(H,33,37)(H,34,38)(H,32,35,36)","","2013-10-08","2014-10-10","N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide","2014-10-15"],["DWG","(6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile","C26 H24 N4 O","C4(=O)C(C#N)CC5(c1ccccc1)c3c(cnc(Nc2ccccc2)n3)CCC5C4C;C[CH]1[CH]2CCc3cnc(Nc4ccccc4)nc3[C]2(C[CH](C#N)C1=O)c5ccccc5;CC1C2CCc3cnc(nc3C2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5","InChI=1S/C26H24N4O/c1-17-22-13-12-18-16-28-25(29-21-10-6-3-7-11-21)30-24(18)26(22,14-19(15-27)23(17)31)20-8-4-2-5-9-20/h2-11,16-17,19,22H,12-14H2,1H3,(H,28,29,30)/t17-,19?,22-,26+/m0/s1","","2017-11-10","2024-09-27","(6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile","2018-07-25"],["W33","5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE","C18 H21 Cl N2 O3","Clc2c(OCCCCCc1onc(c1)C)ccc(c2)C3=NCCO3;Cc1cc(CCCCCOc2ccc(cc2Cl)C3=NCCO3)on1;Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3","InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3","COMPOUND VII","1999-07-08","2021-03-01","5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole",""],["W34","(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine","C12 H17 N O2","C1(C(N)COCC1)c2cccc(c2)OC;COc1cccc(c1)[CH]2CCOC[CH]2N;COc1cccc(c1)C2CCOCC2N","InChI=1S/C12H17NO2/c1-14-10-4-2-3-9(7-10)11-5-6-15-8-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3/t11-,12-/m0/s1","","2020-09-24","2021-01-08","(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine","2021-01-13"],["DWH","methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate","C12 H13 Cl N6 O4 S","Clc1nc(nc(n1)NCC(=O)OC)Nc2ccc(cc2)S(=O)(=O)N;COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)[S](N)(=O)=O)n1;COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19)","","2010-04-22","2011-06-04","methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate",""],["DWI","(2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one","C34 H33 F3 N6 O3","C[CH](O)C(=O)N1CCN(CC1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(ncc25)c6cccc7ccc(F)c(C#C)c67;CC(C(=O)N1CCN(CC1)c2c3cnc(c(c3nc(n2)OCC45CCCN4CC(C5)F)F)c6cccc7c6c(c(cc7)F)C#C)O","InChI=1S/C34H33F3N6O3/c1-3-23-26(36)9-8-21-6-4-7-24(27(21)23)29-28(37)30-25(17-38-29)31(41-12-14-42(15-13-41)32(45)20(2)44)40-33(39-30)46-19-34-10-5-11-43(34)18-22(35)16-34/h1,4,6-9,17,20,22,44H,5,10-16,18-19H2,2H3/t20-,22+,34-/m0/s1","","2023-06-06","2024-09-27","(2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one","2024-01-31"],["W35","5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE","C18 H22 N2 O3","N1=C(OCC1)c3ccc(OCCCCCc2onc(c2)C)cc3;Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1;Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3","InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3","WIN VI; WIN 52035","1999-07-08","2020-06-17","5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole",""],["W36","2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide","C9 H13 F N2 O2 S","O=S(=O)(Nc1ccc(C)c(F)c1)CCN;Cc1ccc(N[S](=O)(=O)CCN)cc1F;Cc1ccc(cc1F)NS(=O)(=O)CCN","InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3","","2022-09-02","2022-10-28","2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide","2022-11-02"],["DWJ","(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile","C26 H23 N3 O2","C1(C(=O)C(C3C(C1)(c2ccccc2)c5c(CC3)cn(C(c4ccccc4)=O)n5)C)C#N;C[CH]1[CH]2CCc3cn(nc3[C]2(C[CH](C#N)C1=O)c4ccccc4)C(=O)c5ccccc5;CC1C2CCc3cn(nc3C2(CC(C1=O)C#N)c4ccccc4)C(=O)c5ccccc5","InChI=1S/C26H23N3O2/c1-17-22-13-12-19-16-29(25(31)18-8-4-2-5-9-18)28-24(19)26(22,14-20(15-27)23(17)30)21-10-6-3-7-11-21/h2-11,16-17,20,22H,12-14H2,1H3/t17-,20-,22-,26+/m0/s1","","2017-11-10","2024-09-27","(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile","2018-07-25"],["W37","N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE","C25 H29 Br N2 O","Brc3ccc(c2nccc1cc(OCCCCCCN(CC=C)C)ccc12)cc3;CN(CCCCCCOc1ccc2c(ccnc2c3ccc(Br)cc3)c1)CC=C;CN(CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C","InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3","","2002-10-03","2011-06-04","6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine",""],["DWK","[2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","C40 H48 N4 O15 P2","O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(NC(=O)COc4ccccc4[P](O)(O)=O)c3;c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O","InChI=1S/C40H48N4O15P2/c45-37(27-58-33-10-1-3-12-35(33)60(49,50)51)43-31-16-14-29(15-17-31)39(47)41-18-6-20-55-22-24-57-25-23-56-21-7-19-42-40(48)30-8-5-9-32(26-30)44-38(46)28-59-34-11-2-4-13-36(34)61(52,53)54/h1-5,8-17,26H,6-7,18-25,27-28H2,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H2,49,50,51)(H2,52,53,54)","","2018-02-03","2018-06-29","[2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","2018-07-04"],["DWM","(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide","C28 H28 F N5 O3","n4c(C(Nc1cccc(c1)C(C)O)=O)c3CN(C(c2cccn2)=O)CC(c3n4Cc5ccc(F)cc5)C;C[CH](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c4[CH](C)CN(Cc24)C(=O)c5[nH]ccc5)c1;CC1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)C(C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5","InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18-/m1/s1","","2017-11-10","2018-07-20","(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide","2018-07-25"],["W38","5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine","C21 H26 F3 N5 O2","CC(C)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5;CC(C)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cc(c(nc5)N)OC(F)(F)F","InChI=1S/C21H26F3N5O2/c1-13(2)18-27-15(14-7-16(17(25)26-8-14)31-21(22,23)24)9-29(18)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)/t19-,20+","","2023-04-26","2023-07-21","5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine","2023-07-26"],["W39","(6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide","C22 H23 F3 N8 O","FC(F)(F)c1cccnc1c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1;CC1(N)CCN(CC1)c2cccnc2NC(=O)c3nc(cnc3N)c4ncccc4C(F)(F)F;CC1(CCN(CC1)c2cccnc2NC(=O)c3c(ncc(n3)c4c(cccn4)C(F)(F)F)N)N","InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)","","2023-09-22","2024-01-19","(6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide","2024-01-24"],["DWN","(2R,4S,6R)-4-amino-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate","C16 H25 N3 O13 P2","O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(N)C3)C)O)O)C;C[CH]1O[CH](C[CH](N)C1=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O;CC1C(=O)C(CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)N","InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-13,20H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-/m1/s1","","2012-03-12","2012-05-16","(2R,4S,6R)-4-amino-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",""],["W3A","(4-bromo-1H-pyrazol-1-yl)acetic acid","C5 H5 Br N2 O2","n1cc(cn1CC(=O)O)Br;OC(=O)Cn1cc(Br)cn1;c1c(cn(n1)CC(=O)O)Br","InChI=1S/C5H5BrN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)","","2020-09-24","2021-01-08","(4-bromo-1H-pyrazol-1-yl)acetic acid","2021-01-13"],["DWP","(6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile","C21 H22 N4 O","C2Cc1cnc(nc1C3(CC(C(C(C23)C)=O)C#N)C)Nc4ccccc4;C[CH]1[CH]2CCc3cnc(Nc4ccccc4)nc3[C]2(C)C[CH](C#N)C1=O;CC1C2CCc3cnc(nc3C2(CC(C1=O)C#N)C)Nc4ccccc4","InChI=1S/C21H22N4O/c1-13-17-9-8-14-12-23-20(24-16-6-4-3-5-7-16)25-19(14)21(17,2)10-15(11-22)18(13)26/h3-7,12-13,15,17H,8-10H2,1-2H3,(H,23,24,25)/t13-,15+,17-,21-/m0/s1","","2017-11-10","2024-09-27","(6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile","2018-07-25"],["W3B","methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate","C10 H10 Cl F2 N O3","Clc1cc(ccc1OC(F)F)NCC(=O)OC;COC(=O)CNc1ccc(OC(F)F)c(Cl)c1;COC(=O)CNc1ccc(c(c1)Cl)OC(F)F","InChI=1S/C10H10ClF2NO3/c1-16-9(15)5-14-6-2-3-8(7(11)4-6)17-10(12)13/h2-4,10,14H,5H2,1H3","","2022-09-02","2022-10-28","methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate","2022-11-02"],["DWQ","[2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","C59 H84 N6 O22 P2","O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(NC(=O)COc4ccccc4[P](O)(O)=O)c3;c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O","InChI=1S/C59H84N6O22P2/c66-54(20-30-78-26-6-1-7-27-79-32-24-62-58(70)46-12-8-14-48(42-46)64-56(68)44-86-50-16-2-4-18-52(50)88(72,73)74)60-22-10-28-80-34-38-84-39-35-81-29-11-23-61-55(67)21-31-82-36-40-85-41-37-83-33-25-63-59(71)47-13-9-15-49(43-47)65-57(69)45-87-51-17-3-5-19-53(51)89(75,76)77/h2-5,8-9,12-19,42-43H,1,6-7,10-11,20-41,44-45H2,(H,60,66)(H,61,67)(H,62,70)(H,63,71)(H,64,68)(H,65,69)(H2,72,73,74)(H2,75,76,77)","","2018-02-03","2018-06-29","[2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid","2018-07-04"],["W3C","(1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol","C16 H13 F7 N4 O2","Nc1ncc(cc1OC(F)(F)F)c2cn(c(n2)[CH](O)C(F)(F)F)C34CC(F)(C3)C4;c1c(cnc(c1OC(F)(F)F)N)c2cn(c(n2)C(C(F)(F)F)O)C34CC(C3)(C4)F","InChI=1S/C16H13F7N4O2/c17-13-4-14(5-13,6-13)27-3-8(26-12(27)10(28)15(18,19)20)7-1-9(11(24)25-2-7)29-16(21,22)23/h1-3,10,28H,4-6H2,(H2,24,25)/t10-,13-,14+/m1/s1","","2023-04-26","2023-07-21","(1~{R})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol","2023-07-26"],["DWS","3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid","C27 H24 N4 O3","c1c(cc(cc1)C45c2c(cnc(n2)Nc3ccccc3)CCC4C(C(C(C5)C#N)=O)C)C(=O)O;C[CH]1[CH]2CCc3cnc(Nc4ccccc4)nc3[C]2(C[CH](C#N)C1=O)c5cccc(c5)C(O)=O;CC1C2CCc3cnc(nc3C2(CC(C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5","InChI=1S/C27H24N4O3/c1-16-22-11-10-18-15-29-26(30-21-8-3-2-4-9-21)31-24(18)27(22,13-19(14-28)23(16)32)20-7-5-6-17(12-20)25(33)34/h2-9,12,15-16,19,22H,10-11,13H2,1H3,(H,33,34)(H,29,30,31)/t16-,19-,22-,27+/m0/s1","","2017-11-10","2024-09-27","3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid","2018-07-25"],["W3D","(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid","C7 H6 Br N O3","C1=CN(C(C=C1Br)=O)CC(=O)O;OC(=O)CN1C=CC(=CC1=O)Br;C1=CN(C(=O)C=C1Br)CC(=O)O","InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12)","","2020-09-24","2021-01-08","(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid","2021-01-13"],["DWT","4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C26 H20 F3 N7 O","Cn1cc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc2n1)c5cccnc5;Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)31-19-7-3-6-18(12-19)26(27,28)29)11-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,31,37)(H,32,33,34,35)","","2018-02-05","2018-08-03","4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2018-08-08"],["W3F","(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide","C30 H27 F N4 O5","O=C(Nc1c(C)c(/C=C2/c3cc(ccc3NC2=O)C(=O)NC(C)c2ccc(F)cc2)[NH]c1C)C(O)c1ccco1;C[CH](NC(=O)c1ccc2NC(=O)C(=Cc3[nH]c(C)c(NC(=O)[CH](O)c4occc4)c3C)c2c1)c5ccc(F)cc5;Cc1c([nH]c(c1NC(=O)C(c2ccco2)O)C)C=C3c4cc(ccc4NC3=O)C(=O)NC(C)c5ccc(cc5)F","InChI=1S/C30H27FN4O5/c1-15-24(32-17(3)26(15)35-30(39)27(36)25-5-4-12-40-25)14-22-21-13-19(8-11-23(21)34-29(22)38)28(37)33-16(2)18-6-9-20(31)10-7-18/h4-14,16,27,32,36H,1-3H3,(H,33,37)(H,34,38)(H,35,39)/b22-14-/t16-,27+/m1/s1","","2023-09-22","2024-09-27","(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide","2023-12-13"],["DWV","(5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one","C15 H15 Cl2 N3 O S","Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N3CCN(C)CC3;CN1CCN(CC1)C2=NC(=O)C(S2)=Cc3ccc(Cl)c(Cl)c3;CN1CCN(CC1)C2=NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2","InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-","","2013-05-16","2013-07-26","(5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one","2013-07-31"],["DWW","[2-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid","C21 H20 B Cl2 N3 O3 S","Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N4CCN(Cc3ccccc3B(O)O)CC4;OB(O)c1ccccc1CN2CCN(CC2)C3=NC(=O)C(S3)=Cc4ccc(Cl)c(Cl)c4;B(c1ccccc1CN2CCN(CC2)C3=NC(=O)C(=Cc4ccc(c(c4)Cl)Cl)S3)(O)O","InChI=1S/C21H20BCl2N3O3S/c23-17-6-5-14(11-18(17)24)12-19-20(28)25-21(31-19)27-9-7-26(8-10-27)13-15-3-1-2-4-16(15)22(29)30/h1-6,11-12,29-30H,7-10,13H2/b19-12-","","2013-05-16","2013-07-26","[2-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid","2013-07-31"],["W3G","pyridazin-3(2H)-one","C4 H4 N2 O","N1N=CC=CC1=O;O=C1NN=CC=C1;C1=CC(=O)NN=C1","InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)","","2020-09-24","2021-01-08","pyridazin-3(2H)-one","2021-01-13"],["W3H","(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid","C10 H11 Cl O4 S","O=S(=O)(c1ccc(Cl)cc1)C(C)CC(=O)O;C[CH](CC(O)=O)[S](=O)(=O)c1ccc(Cl)cc1;CC(CC(=O)O)S(=O)(=O)c1ccc(cc1)Cl","InChI=1S/C10H11ClO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1","","2022-09-02","2022-10-28","(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid","2022-11-02"],["DWX","[3-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid","C21 H20 B Cl2 N3 O3 S","Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N4CCN(Cc3cccc(B(O)O)c3)CC4;OB(O)c1cccc(CN2CCN(CC2)C3=NC(=O)C(S3)=Cc4ccc(Cl)c(Cl)c4)c1;B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)C(=Cc4ccc(c(c4)Cl)Cl)S3)(O)O","InChI=1S/C21H20BCl2N3O3S/c23-17-5-4-14(11-18(17)24)12-19-20(28)25-21(31-19)27-8-6-26(7-9-27)13-15-2-1-3-16(10-15)22(29)30/h1-5,10-12,29-30H,6-9,13H2/b19-12-","","2013-05-16","2013-07-26","[3-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid","2013-07-31"],["W3I","(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol","C22 H28 F3 N5 O3","CC(C)[CH](O)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5;CC(C)C(c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cc(c(nc5)N)OC(F)(F)F)O","InChI=1S/C22H28F3N5O3/c1-13(2)17(31)19-28-15(14-7-16(18(26)27-8-14)33-22(23,24)25)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)/t17-,20-,21+/m0/s1","","2023-04-26","2023-07-21","(1~{S})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol","2023-07-26"],["DWY","[4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid","C21 H20 B Cl2 N3 O3 S","Clc1ccc(cc1Cl)C=C2/SC(=NC2=O)N4CCN(Cc3ccc(B(O)O)cc3)CC4;OB(O)c1ccc(CN2CCN(CC2)C3=NC(=O)C(S3)=Cc4ccc(Cl)c(Cl)c4)cc1;B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)C(=Cc4ccc(c(c4)Cl)Cl)S3)(O)O","InChI=1S/C21H20BCl2N3O3S/c23-17-6-3-15(11-18(17)24)12-19-20(28)25-21(31-19)27-9-7-26(8-10-27)13-14-1-4-16(5-2-14)22(29)30/h1-6,11-12,29-30H,7-10,13H2/b19-12-","","2013-05-16","2013-07-26","[4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid","2013-07-31"],["DWZ","(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid","C17 H27 N3 O5 S","CN(C)C(=O)C1CC(SC2C(C)C(N=C2C(=O)O)C(C=O)C(C)O)CN1;C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O;CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C","InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15+/m1/s1","Meropenem, bound form","2008-07-25","2024-09-27","(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid",""],["W3J","1,4,5,6-tetrahydropyrimidin-2-amine","C4 H9 N3","N1C(N)=NCCC1;NC1=NCCCN1;C1CNC(=NC1)N","InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)","","2020-09-24","2021-01-08","1,4,5,6-tetrahydropyrimidin-2-amine","2021-01-13"],["DX","[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H13 N4 O8 P","O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CN3C(=O)NC(=O)N=C23;C1C(C(OC1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O","InChI=1S/C10H13N4O8P/c15-5-3-7(22-6(5)4-21-23(18,19)20)13-1-2-14-9(13)11-8(16)12-10(14)17/h1-2,5-7,15H,3-4H2,(H,12,16,17)(H2,18,19,20)/t5-,6+,7+/m0/s1","","2016-07-19","2018-03-02","[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2018-03-07"],["W3K","N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline","C16 H17 N3","CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2;Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)N(C)C","InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)","","2023-09-16","2024-10-04","~{N},~{N}-dimethyl-4-(5-methyl-1~{H}-benzimidazol-2-yl)aniline","2024-10-09"],["W3M","1H-imidazole-5-carbonitrile","C4 H3 N3","n1cncc1C#N;N#Cc1[nH]cnc1;c1c([nH]cn1)C#N","InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)","","2020-09-24","2021-01-08","1H-imidazole-5-carbonitrile","2021-01-13"],["DX0","Steviolmonoside","C26 H40 O8","C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(O)=O;CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)O","InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32)/t15-,16-,17-,18-,19+,20-,21+,23+,24+,25+,26-/m0/s1","","2019-09-17","2022-08-22","","2019-11-20"],["DX1","6,7-bis(1-methylethyl)pteridine-2,4-diamine","C12 H18 N6","n1c2c(nc(c1C(C)C)C(C)C)nc(nc2N)N;CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C;CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C","InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)","","2007-12-14","2011-06-04","6,7-bis(1-methylethyl)pteridine-2,4-diamine",""],["W3N","1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione","C22 H18 N6 O2","C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5;CC(c1cccc(c1)c2c[nH]cn2)N3C=C(C(=O)NC3=O)c4cccc5c4[nH]nc5","InChI=1S/C22H18N6O2/c1-13(14-4-2-5-15(8-14)19-10-23-12-24-19)28-11-18(21(29)26-22(28)30)17-7-3-6-16-9-25-27-20(16)17/h2-13H,1H3,(H,23,24)(H,25,27)(H,26,29,30)/t13-/m0/s1","","2023-04-26","2023-06-30","1-[(1~{S})-1-[3-(1~{H}-imidazol-4-yl)phenyl]ethyl]-5-(1~{H}-indazol-7-yl)pyrimidine-2,4-dione","2023-07-05"],["W3O","1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide","C15 H27 N2 O2 Si","O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1;CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(N)=O;CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(=O)N","InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1","","2023-09-22","2024-06-28","1-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium","2024-07-03"],["DX2","6-phenylpteridine-2,4,7-triamine","C12 H11 N7","n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N;Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1;c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N","InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)","","2007-12-17","2011-06-04","6-phenylpteridine-2,4,7-triamine",""],["DX3","6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine","C9 H14 N6","n2c(nc1c(N=C(C(N1)(C)C)C)c2N)N;CC1=Nc2c(N)nc(N)nc2NC1(C)C;CC1=Nc2c(nc(nc2NC1(C)C)N)N","InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)","","2007-12-17","2011-06-04","6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine",""],["W3P","1,8-naphthyridine","C8 H6 N2","n1cccc2cccnc12;c1cnc2ncccc2c1;c1cc2cccnc2nc1","InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H","","2020-09-24","2021-01-08","1,8-naphthyridine","2021-01-13"],["DX4","2-amino-1,9-dihydro-6H-purine-6-thione","C5 H5 N5 S","S=C1c2ncnc2N=C(N1)N;NC1=Nc2[nH]cnc2C(=S)N1;c1[nH]c2c(n1)C(=S)NC(=N2)N","InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)","","2007-12-17","2024-09-27","2-amino-1,9-dihydro-6H-purine-6-thione",""],["W3Q","N-[(2-methoxyphenyl)methyl]urea","C9 H12 N2 O2","COc1ccccc1CNC(N)=O;COc1ccccc1CNC(N)=O;COc1ccccc1CNC(=O)N","InChI=1S/C9H12N2O2/c1-13-8-5-3-2-4-7(8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)","","2022-09-02","2022-10-28","N-[(2-methoxyphenyl)methyl]urea","2022-11-02"],["W3R","5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione","C19 H16 N4 O2","C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4;CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cccc4c3[nH]nc4","InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-11-16(18(24)21-19(23)25)15-9-5-8-14-10-20-22-17(14)15/h2-12H,1H3,(H,20,22)(H,21,24,25)/t12-/m0/s1","","2023-04-26","2023-06-30","5-(1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione","2023-07-05"],["DX5","D-XYLITOL-5-PHOSPHATE","C5 H13 O8 P","O=P(O)(O)OCC(O)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)O)O)O)O)O","InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1","D-HYLITOL-5-PHOSPHATE","2006-01-24","2020-06-17","5-O-phosphono-D-xylitol",""],["W3S","[1,2,4]triazolo[4,3-a]pyridin-3-amine","C6 H6 N4","n2c(n1ccccc1n2)N;Nc1nnc2ccccn12;c1ccn2c(c1)nnc2N","InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)","","2020-09-24","2021-01-08","[1,2,4]triazolo[4,3-a]pyridin-3-amine","2021-01-13"],["DX6","2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","C14 H14 N4 O","O=C1c2c(cnc2N=C(N1)N)CCc3ccccc3;NC1=Nc2[nH]cc(CCc3ccccc3)c2C(=O)N1;c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N","InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19)","","2007-12-17","2011-06-04","2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",""],["W3T","1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone","C35 H33 F3 N6 O3","CC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78;CC(=O)N1C2CCC1CN(C2)c3c4cnc(c(c4nc(n3)OCC56CCCN5CC(C6)F)F)c7cc(cc8c7c(c(cc8)F)C#C)O","InChI=1S/C35H33F3N6O3/c1-3-25-28(37)8-5-20-11-24(46)12-26(29(20)25)31-30(38)32-27(14-39-31)33(42-16-22-6-7-23(17-42)44(22)19(2)45)41-34(40-32)47-18-35-9-4-10-43(35)15-21(36)13-35/h1,5,8,11-12,14,21-23,46H,4,6-7,9-10,13,15-18H2,2H3/t21-,22-,23+,35+/m1/s1","","2023-09-19","2024-10-02","1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone","2024-09-11"],["DX7","2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C13 H9 N5 O","N#Cc1c(nc2N=C(NC(=O)c12)N)c3ccccc3;NC1=Nc2[nH]c(c3ccccc3)c(C#N)c2C(=O)N1;c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N","InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)","","2007-12-20","2011-06-04","2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["W3U","1-benzyl-1H-pyrazole-4-carboxylic acid","C11 H10 N2 O2","O=C(O)c1cn(Cc2ccccc2)nc1;OC(=O)c1cnn(Cc2ccccc2)c1;c1ccc(cc1)Cn2cc(cn2)C(=O)O","InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)","","2022-09-02","2022-10-28","1-benzyl-1H-pyrazole-4-carboxylic acid","2022-11-02"],["DX8","2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","C14 H11 N5 O2","N#Cc1c(nc2N=C(NC(=O)c12)N)c3ccc(OC)cc3;COc1ccc(cc1)c2[nH]c3N=C(N)NC(=O)c3c2C#N;COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N","InChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)","","2007-12-20","2011-06-04","2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",""],["DX9","(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid","C26 H28 N4 O3","O=C(O)C(c2ccc(OC1CCN(C(=[N@H])C)C1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4;CC(=N)N1CC[CH](C1)Oc2ccc(cc2)[CH](Cc3ccc4ccc(cc4c3)C(N)=N)C(O)=O;[H]N=C(C)N1CCC(C1)Oc2ccc(cc2)C(Cc3ccc4ccc(cc4c3)C(=N[H])N)C(=O)O","InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/b27-16+/t23-,24-/m0/s1","DX9056A","1999-07-08","2021-03-01","(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3S)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid",""],["W3V","1-carbamoylpiperidine-4-carboxylic acid","C7 H12 N2 O3","N1(CCC(CC1)C(O)=O)C(N)=O;NC(=O)N1CCC(CC1)C(O)=O;C1CN(CCC1C(=O)O)C(=O)N","InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)","","2020-09-24","2021-01-08","1-carbamoylpiperidine-4-carboxylic acid","2021-01-13"],["DXA","1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE","C24 H30 O7","O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C(C)CC)C3;CC[CH](C)c1ccc2cc3C[CH](CC(=O)c3c(O)c2c1O)[CH](OC)C(=O)[CH](O)[CH](C)O;CCC(C)c1ccc2cc3c(c(c2c1O)O)C(=O)CC(C3)C(C(=O)C(C(C)O)O)OC","InChI=1S/C24H30O7/c1-5-11(2)16-7-6-13-8-14-9-15(24(31-4)23(30)20(27)12(3)25)10-17(26)18(14)22(29)19(13)21(16)28/h6-8,11-12,15,20,24-25,27-29H,5,9-10H2,1-4H3/t11-,12-,15-,20+,24+/m1/s1","","1999-07-08","2011-06-04","(1S)-5-deoxy-1-C-{(2R)-5,10-dihydroxy-6-[(1R)-1-methylpropyl]-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl}-1-O-methyl-D-xylulose",""],["W3W","5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione","C21 H16 F2 N4 O2","C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3cccc(c3)c4[nH]cnc4;CC(c1cccc(c1)c2cnc[nH]2)N3C=C(C(=O)NC3=O)c4cc(cc(c4)F)F","InChI=1S/C21H16F2N4O2/c1-12(13-3-2-4-14(5-13)19-9-24-11-25-19)27-10-18(20(28)26-21(27)29)15-6-16(22)8-17(23)7-15/h2-12H,1H3,(H,24,25)(H,26,28,29)/t12-/m0/s1","","2023-04-26","2023-06-30","5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-[3-(1~{H}-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione","2023-07-05"],["W3X","1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide","C14 H16 N2 O2","NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1;NC(=O)C1=CN(CCc2ccc(O)cc2)C=CC1;c1cc(ccc1CCN2C=CCC(=C2)C(=O)N)O","InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18)","","2023-09-22","2024-06-28","1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide","2024-07-03"],["DXB","1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE","C21 H24 O7","O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C)C3;CO[CH]([CH]1CC(=O)c2c(O)c3c(O)c(C)ccc3cc2C1)C(=O)[CH](O)[CH](C)O;Cc1ccc2cc3c(c(c2c1O)O)C(=O)CC(C3)C(C(=O)C(C(C)O)O)OC","InChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-6,10,13,18,21-22,24-26H,7-8H2,1-3H3/t10-,13+,18-,21-/m0/s1","","1999-07-08","2011-06-04","(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose",""],["W3Y","(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione","C10 H9 Cl N2 O2","N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O;C[CH]1N(C(=O)NC1=O)c2ccc(Cl)cc2;CC1C(=O)NC(=O)N1c2ccc(cc2)Cl","InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1","","2020-09-24","2021-01-08","(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione","2021-01-13"],["DXC","(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID","C24 H40 O4","O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C;C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C;CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1","DEOXYCHOLIC ACID","2000-06-26","2020-06-17","(3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid",""],["DXD","(1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL","C6 H13 O6 P","O=P(OCC1CC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)C1;C1C(CC(C1COP(=O)(O)O)O)O","InChI=1S/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1","","2004-09-12","2011-06-04","[(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate",""],["W3Z","ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate","C9 H17 N O4 S","O=S(C)(=O)N1CCCC(C1)C(=O)OCC;CCOC(=O)[CH]1CCCN(C1)[S](C)(=O)=O;CCOC(=O)C1CCCN(C1)S(=O)(=O)C","InChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m0/s1","","2022-09-02","2022-10-28","ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate","2022-11-02"],["W40","5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione","C18 H14 F2 N2 O2","C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3;CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F","InChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1","","2023-04-26","2023-06-30","5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione","2023-07-05"],["DXE","1,2-DIMETHOXYETHANE","C4 H10 O2","O(C)CCOC;COCCOC;COCCOC","InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3","","2003-06-06","2011-06-04","1,2-dimethoxyethane",""],["W41","6-chlorotetrazolo[1,5-b]pyridazine","C4 H2 Cl N5","n2nc1n(nc(Cl)cc1)n2;Clc1ccc2nnnn2n1;c1cc(nn2c1nnn2)Cl","InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H","","2020-09-24","2024-09-27","6-chlorotetrazolo[1,5-b]pyridazine","2021-01-13"],["DXF","(2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C16 H18 N4 O8 S","O=CC(NC(=O)C(=NOC)/c1occc1)C2SCC(=C(N2)C(=O)O)COC(=O)N;CON=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(O)=O)c2occc2;CON=C(c1ccco1)C(=O)NC(C=O)C2NC(=C(CS2)COC(=O)N)C(=O)O","InChI=1S/C16H18N4O8S/c1-26-20-12(10-3-2-4-27-10)13(22)18-9(5-21)14-19-11(15(23)24)8(7-29-14)6-28-16(17)25/h2-5,9,14,19H,6-7H2,1H3,(H2,17,25)(H,18,22)(H,23,24)/b20-12-/t9-,14-/m1/s1","Cefuroxime, bound form","2010-06-11","2024-09-27","(2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["W42","5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE","C21 H26 Cl2 N2 O6","Clc3c(OCCCCCc1onc(c1)COCOCCO)c(Cl)cc(C2=NCCO2)c3;OCCOCOCc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1;c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3","InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2","COMPOUND WIN VIII","1999-07-08","2021-03-01","2-{[(5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}isoxazol-3-yl)methoxy]methoxy}ethanol",""],["DXG","4-DEOXYGLUCARATE","C6 H8 O7","O=C([O-])C(O)CC(O)C(O)C([O-])=O;O[CH](C[CH](O)C([O-])=O)[CH](O)C([O-])=O;C(C(C(C(=O)[O-])O)O)C(C(=O)[O-])O","InChI=1S/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,3-,4+/m0/s1","","2000-01-31","2011-06-04","(2R,3S,5S)-2,3,5-trihydroxyhexanedioate (non-preferred name)",""],["W43","5-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE","C21 H27 Cl N2 O3","Clc3cc(C1=NC(C)CO1)ccc3OCCCCCCCc2onc(c2)C;C[CH]1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)c(Cl)c2;Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=NC(CO3)C","InChI=1S/C21H27ClN2O3/c1-15-12-18(27-24-15)8-6-4-3-5-7-11-25-20-10-9-17(13-19(20)22)21-23-16(2)14-26-21/h9-10,12-13,16H,3-8,11,14H2,1-2H3/t16-/m0/s1","COMPOUND II(R/S)","1999-07-08","2020-06-17","5-(7-{2-chloro-4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole",""],["DXH","4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","C26 H20 F3 N7 O","Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cccnc5;Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F","InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)","","2018-02-05","2018-08-03","4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide","2018-08-08"],["W44","(2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol","C15 H18 N2 O","N3C4Cc2c1c(cccc1)n(c2C(C(C3)O)C4)C;Cn1c2ccccc2c3C[CH]4C[CH]([CH](O)CN4)c13;Cn1c2ccccc2c3c1C4CC(C3)NCC4O","InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14+/m1/s1","","2020-09-24","2021-01-08","(2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol","2021-01-13"],["DXJ","(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one","C13 H20 O","[C@H](=CC(C)=O)C=C(CCC=C(C)C)C;CC(C)=CCCC(C)=CC=CC(C)=O;CC(=CCCC(=CC=CC(=O)C)C)C","InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+","Pseudoionone","2017-11-10","2021-03-01","(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one","2018-01-24"],["DXK","1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine","C11 H10 N6","Cn1ncc2c(N)nc(nc12)c3cccnc3;Cn1c2c(cn1)c(nc(n2)c3cccnc3)N","InChI=1S/C11H10N6/c1-17-11-8(6-14-17)9(12)15-10(16-11)7-3-2-4-13-5-7/h2-6H,1H3,(H2,12,15,16)","","2018-02-05","2018-08-03","1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine","2018-08-08"],["W45","N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide","C15 H18 Cl2 N2 O S","C(NCCCCCn2ccc1cc(c(cc12)Cl)Cl)(CS)=O;SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc12;c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS","InChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20)","","2018-10-15","2018-11-30","N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide","2018-12-05"],["DXL","D-xylaric acid","C5 H8 O7","O=C(O)C(O)C(O)C(O)C(=O)O;O[CH]([CH](O)C(O)=O)[CH](O)C(O)=O;C(C(C(=O)O)O)(C(C(=O)O)O)O","InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+","m-Xylarate","2010-09-27","2020-06-17","D-xylaric acid",""],["W46","1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide","C14 H16 N2 O2","NC(=O)C=1CC=CN(Cc2ccc(CO)cc2)C=1;NC(=O)C1=CN(Cc2ccc(CO)cc2)C=CC1;c1cc(ccc1CN2C=CCC(=C2)C(=O)N)CO","InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18)","","2023-09-22","2024-06-28","1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide","2024-07-03"],["DXM","N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide","C25 H24 F2 N6 O2 S","C1=C(C(=O)N(C)N=C1c2ccc(c(c2F)NC(=O)c3cc4c(s3)CCCC4)F)Nc5nn(C)c(c5)C;Cn1nc(NC2=CC(=NN(C)C2=O)c3ccc(F)c(NC(=O)c4sc5CCCCc5c4)c3F)cc1C;Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F","InChI=1S/C25H24F2N6O2S/c1-13-10-21(31-32(13)2)28-18-12-17(30-33(3)25(18)35)15-8-9-16(26)23(22(15)27)29-24(34)20-11-14-6-4-5-7-19(14)36-20/h8-12H,4-7H2,1-3H3,(H,28,31)(H,29,34)","","2017-11-10","2018-11-02","N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide","2018-11-07"],["W47","1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine","C21 H18 F5 N3 O","Cc4cc(c1c(ccc(C(F)(F)F)c1)OC2CC2(CN)c3ccc(cc3F)F)nn4;Cc1cc([nH]n1)c2cc(ccc2O[CH]3C[C]3(CN)c4ccc(F)cc4F)C(F)(F)F;Cc1cc([nH]n1)c2cc(ccc2OC3CC3(CN)c4ccc(cc4F)F)C(F)(F)F","InChI=1S/C21H18F5N3O/c1-11-6-17(29-28-11)14-7-12(21(24,25)26)2-5-18(14)30-19-9-20(19,10-27)15-4-3-13(22)8-16(15)23/h2-8,19H,9-10,27H2,1H3,(H,28,29)/t19-,20+/m0/s1","","2020-09-26","2021-01-15","1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine","2021-01-20"],["W48","(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid","C24 H32 Cl N3 O8 S","O=C1NC=CC1CC(NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1)C(O)S(=O)(=O)O;O[CH]([CH](C[CH]1C=CNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)OCc3cccc(Cl)c3)[S](O)(=O)=O;c1cc(cc(c1)Cl)COC(=O)NC(CC2CCCCC2)C(=O)NC(CC3C=CNC3=O)C(O)S(=O)(=O)O","InChI=1S/C24H32ClN3O8S/c25-18-8-4-7-16(11-18)14-36-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)37(33,34)35)13-17-9-10-26-21(17)29/h4,7-11,15,17,19-20,23,31H,1-3,5-6,12-14H2,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t17-,19-,20-,23-/m0/s1","","2022-01-19","2024-09-27","(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid","2022-05-04"],["DXN","(1R,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL","C6 H13 O6 P","O=P(OCC1CC(O)CC1O)(O)O;O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)C1;C1C(CC(C1COP(=O)(O)O)O)O","InChI=1/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1/f/h9-10H","","2004-09-12","2009-01-07","[(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate",""],["W49","5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione","C21 H15 F N4 O2","C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc3c(n[nH]c23)C#C)c4ccccc4;CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc4c3[nH]nc4C#C)F","InChI=1S/C21H15FN4O2/c1-3-18-16-10-14(22)9-15(19(16)25-24-18)17-11-26(21(28)23-20(17)27)12(2)13-7-5-4-6-8-13/h1,4-12H,2H3,(H,24,25)(H,23,27,28)/t12-/m0/s1","","2023-04-26","2023-06-30","5-(3-ethynyl-5-fluoranyl-1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione","2023-07-05"],["DXO","2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE","C16 H21 N5 S","n1c(SC)nc(nc1N2CCNCC2)c3c(cccc3C)C;CSc1nc(nc(n1)c2c(C)cccc2C)N3CCNCC3;Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C","InChI=1S/C16H21N5S/c1-11-5-4-6-12(2)13(11)14-18-15(20-16(19-14)22-3)21-9-7-17-8-10-21/h4-6,17H,7-10H2,1-3H3","","2014-07-02","2015-02-27","2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine","2015-03-04"],["W4A","5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide","C18 H20 F3 N3 O2","CN1CCN(CC1)c2ccc(cc2NC(=O)c3oc(C)cc3)C(F)(F)F;Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F","InChI=1S/C18H20F3N3O2/c1-12-3-6-16(26-12)17(25)22-14-11-13(18(19,20)21)4-5-15(14)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,25)","","2017-01-25","2017-05-05","5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide","2017-05-10"],["DXP","1-DEOXY-D-XYLULOSE-5-PHOSPHATE","C5 H11 O7 P","O=P(O)(O)OCC(O)C(O)C(=O)C;CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O;CC(=O)C(C(COP(=O)(O)O)O)O","InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1","","2002-07-03","2011-06-04","1-deoxy-5-O-phosphono-D-xylulose",""],["W4B","(1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol","C14 H13 F O","C[CH](O)c1ccc(cc1)c2ccccc2F;CC(c1ccc(cc1)c2ccccc2F)O","InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m1/s1","","2023-09-25","2025-01-10","(1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol","2025-01-15"],["DXQ","7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine","C26 H43 N7 O2","O(c3cc2nc(nc(NC1CCN(C)CC1)c2cc3OC)N4CCCN(C)CC4)CCCN(C)C;COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N4CCCN(C)CC4;CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C","InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)","","2009-10-09","2011-06-04","7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine",""],["DXR","3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","C16 H18 Br N5","Brc1cccc(c1)Cc3nn(c2ncnc(c23)N)C(C)(C)C;CC(C)(C)n1nc(Cc2cccc(Br)c2)c3c(N)ncnc13;CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N","InChI=1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)","","2010-03-30","2011-06-04","3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",""],["W4C","2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide","C11 H13 Cl2 N O2","O=C(c1ccc(Cl)cc1Cl)N(CC)CCO;CCN(CCO)C(=O)c1ccc(Cl)cc1Cl;CCN(CCO)C(=O)c1ccc(cc1Cl)Cl","InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3","","2022-09-02","2022-10-28","2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide","2022-11-02"],["DXS","2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide","C33 H33 Cl N4 O5 S","c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCNS(c5c4cccc(c4ccc5)N(C)C)(=O)=O)=O;COc1ccc2n(c(C)c(CC(=O)NCCN[S](=O)(=O)c3cccc4c(cccc34)N(C)C)c2c1)C(=O)c5ccc(Cl)cc5;Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C","InChI=1S/C33H33ClN4O5S/c1-21-27(28-19-24(43-4)15-16-30(28)38(21)33(40)22-11-13-23(34)14-12-22)20-32(39)35-17-18-36-44(41,42)31-10-6-7-25-26(31)8-5-9-29(25)37(2)3/h5-16,19,36H,17-18,20H2,1-4H3,(H,35,39)","","2017-11-10","2018-11-09","2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide","2018-11-14"],["W4D","3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one","C18 H14 N4 O","c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4;O=C1N(Cc2ccccc2)C=Nc3ccc(cc13)c4c[nH]nc4;c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4","InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)","","2020-09-27","2020-10-23","3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one","2020-10-28"],["W4E","(1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline","C30 H29 N O3","COc1cc2CCN(C)[CH](Cc3ccc(Oc4ccccc4)cc3)c2cc1Oc5ccccc5;CN1CCc2cc(c(cc2C1Cc3ccc(cc3)Oc4ccccc4)Oc5ccccc5)OC","InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3/t28-/m0/s1","SG-094","2023-04-26","2024-06-07","(1~{S})-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1~{H}-isoquinoline","2024-06-12"],["DXT","(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE","C22 H24 N2 O8","O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(c4cccc(O)c34)C)C(=O)N;C[CH]1[CH]2[CH](O)[CH]3[CH](N(C)C)C(=C(C(N)=O)C(=O)[C]3(O)C(=C2C(=O)c4c(O)cccc14)O)O;CC1c2cccc(c2C(=O)C3=C(C4(C(C(C13)O)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O","InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1","DOXYTETRACYCLINE; DOXYCYCLINE","2006-12-27","2020-05-27","(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",""],["DXU","Dicloxacillin, open form","C19 H25 Cl2 N3 O5 S","O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C;C[CH]1ON[CH]([CH]1C(=O)N[CH](C=O)[CH]2N[CH](C(O)O)C(C)(C)S2)c3c(Cl)cccc3Cl;CC1C(C(NO1)c2c(cccc2Cl)Cl)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(O)O","InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1","dicloxacillin - open form; (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide","2014-08-25","2025-05-21","(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide","2014-09-17"],["W4F","2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol","C18 H22 O5","COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O;COc1ccc(cc1O)CCc2cc(c(c(c2)OC)OC)OC","InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3","Erianin","2023-09-20","2024-06-28","2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol","2024-07-03"],["DXV","2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid","C25 H22 N2 O2","C5CC(c4c(C(O)=O)ccc(c3c2cc(c1ccccc1)cnc2nc3)c4)CC5;OC(=O)c1ccc(cc1C2CCCC2)c3c[nH]c4ncc(cc34)c5ccccc5;c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O","InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)","","2017-11-11","2017-11-24","2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid","2017-11-29"],["W4G","3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one","C18 H14 N4 O","C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O;O=C1N(Cc2ccccc2)C=Nc3cc(ccc13)c4c[nH]nc4;c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4","InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)","","2020-09-28","2020-10-23","3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one","2020-10-28"],["DXW","6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C18 H26 N4 O2","n1c(N)cc(cc1CC3CNCC3OCCNCc2occc2)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCc3occc3)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNCc3ccco3","InChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1","","2011-10-18","2012-03-09","6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["W4H","N-[(1S)-1-cyanopropyl]benzamide","C11 H12 N2 O","O=C(NC(C#N)CC)c1ccccc1;CC[CH](NC(=O)c1ccccc1)C#N;CCC(C#N)NC(=O)c1ccccc1","InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1","","2022-09-02","2022-10-28","N-[(1S)-1-cyanopropyl]benzamide","2022-11-02"],["W4I","[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate","C53 H82 O15","CCC=CCC=CCC=CCC=CCCCCC(=O)O[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC;CCC=CCC=CCC=CCC=CCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC","InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1","","2023-04-27","2024-05-10","[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate","2024-05-15"],["DXX","METHYLMALONIC ACID","C4 H6 O4","O=C(O)C(C(=O)O)C;CC(C(O)=O)C(O)=O;CC(C(=O)O)C(=O)O","InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)","","1999-08-26","2025-05-27","methylpropanedioic acid",""],["W4J","(1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol","C16 H24 F N O2","C(C(c1ccc(c(c1)OCC2CCCCC2)F)O)CN;NCC[CH](O)c1ccc(F)c(OCC2CCCCC2)c1;c1cc(c(cc1C(CCN)O)OCC2CCCCC2)F","InChI=1S/C16H24FNO2/c17-14-7-6-13(15(19)8-9-18)10-16(14)20-11-12-4-2-1-3-5-12/h6-7,10,12,15,19H,1-5,8-9,11,18H2/t15-/m1/s1","","2020-09-29","2021-05-28","(1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol","2021-06-02"],["DXY","N-({4-[(1S)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid","C21 H27 N5 O6 S","O=C1C(=C(N=C(N)N1)N)CCCC(SC)c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2;CS[CH](CCCC1=C(N)N=C(N)NC1=O)c2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O;CSC(CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H27N5O6S/c1-33-15(4-2-3-13-17(22)25-21(23)26-19(13)30)11-5-7-12(8-6-11)18(29)24-14(20(31)32)9-10-16(27)28/h5-8,14-15H,2-4,9-10H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H5,22,23,25,26,30)/t14-,15-/m0/s1","","2008-11-20","2013-07-26","N-({4-[(1S)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid","2013-07-31"],["W4K","(2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol","C20 H26 F N O3","CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F;CCC(c1ccc(cc1NCCO)c2ccccc2F)OC(C)CO","InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20+/m1/s1","","2023-09-25","2025-01-10","(2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol","2025-01-15"],["DXZ","N-({4-[(1R)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid","C21 H27 N5 O6 S","O=C1C(=C(N=C(N)N1)N)CCCC(SC)c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2;CS[CH](CCCC1=C(N)N=C(N)NC1=O)c2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O;CSC(CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O","InChI=1S/C21H27N5O6S/c1-33-15(4-2-3-13-17(22)25-21(23)26-19(13)30)11-5-7-12(8-6-11)18(29)24-14(20(31)32)9-10-16(27)28/h5-8,14-15H,2-4,9-10H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H5,22,23,25,26,30)/t14-,15+/m0/s1","","2008-12-17","2013-07-26","N-({4-[(1R)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid","2013-07-31"],["DY","DYSPROSIUM ION","Dy","[Dy+2];[Dy++];[Dy+2]","InChI=1S/Dy/q+2","","2013-10-08","2019-07-22","Dysprosium","2014-02-12"],["W4L","N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide","C12 H18 Cl N3 O","Clc1ccc(CN(CC)CC(=O)NCC)cn1;CCNC(=O)CN(CC)Cc1ccc(Cl)nc1;CCNC(=O)CN(CC)Cc1ccc(nc1)Cl","InChI=1S/C12H18ClN3O/c1-3-14-12(17)9-16(4-2)8-10-5-6-11(13)15-7-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)","","2022-09-02","2022-10-28","N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide","2022-11-02"],["W4M","(hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol","C23 H27 N5 O3 S","c2(cc1c(n(CC(SC)N(O)CO)nn1)cc2)C#Cc4ccc(CN3CCOCC3)cc4;CS[CH](Cn1nnc2cc(ccc12)C#Cc3ccc(CN4CCOCC4)cc3)N(O)CO;CSC(Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O","InChI=1S/C23H27N5O3S/c1-32-23(28(30)17-29)16-27-22-9-8-19(14-21(22)24-25-27)5-2-18-3-6-20(7-4-18)15-26-10-12-31-13-11-26/h3-4,6-9,14,23,29-30H,10-13,15-17H2,1H3/t23-/m0/s1","","2020-09-29","2020-11-20","(hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol","2020-11-25"],["DY0","[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","C17 H27 N5 O16 P2","Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)N","InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1","","2019-09-18","2025-07-25","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate","2025-07-30"],["W4N","(1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid","C15 H18 O6","O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2;O[CH]1C[C](O)(C=C([CH](O)Cc2ccccc2)[CH]1O)C(O)=O;c1ccc(cc1)CC(C2=CC(CC(C2O)O)(C(=O)O)O)O","InChI=1S/C15H18O6/c16-11(6-9-4-2-1-3-5-9)10-7-15(21,14(19)20)8-12(17)13(10)18/h1-5,7,11-13,16-18,21H,6,8H2,(H,19,20)/t11-,12+,13+,15-/m0/s1","","2013-12-17","2014-09-05","(1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenylethyl]cyclohex-2-ene-1-carboxylic acid","2014-04-16"],["DY1","[(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid","C24 H23 F4 N O4 S","c4c(S(C)(=O)=O)c2c(c1c(C(CC(O)=O)CCC1)n2C(C)c3ccc(cc3)C(F)(F)F)cc4F;C[CH](n1c2[CH](CCCc2c3cc(F)cc(c13)[S](C)(=O)=O)CC(O)=O)c4ccc(cc4)C(F)(F)F;CC(c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2C(CCC4)CC(=O)O","InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1","","2017-11-13","2018-11-09","[(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid","2018-11-14"],["DY2","7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol","C23 H17 F3 N2 O3","COc1ccc2c(O)c(C)c(nc2c1)c3cncc(c3)c4ccc(OC(F)(F)F)cc4;Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O","InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29)","","2018-02-05","2018-02-23","7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol","2018-02-28"],["W4O","[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate","C51 H80 O15","CCC=CCC=CCC=CCC=CCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC;CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCC=CCC=CCC=CCC=CCC","InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1","","2023-04-27","2024-05-10","[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate","2024-05-15"],["W4P","N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide","C23 H22 N6 O3 S","c2(cc1c(n(CC(SC)N(O)C=O)nn1)cc2)C#Cc4ccc(Cn3ccnc3CO)cc4;CS[CH](Cn1nnc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)N(O)C=O;CSC(Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O","InChI=1S/C23H22N6O3S/c1-33-23(29(32)16-31)14-28-21-9-8-18(12-20(21)25-26-28)5-2-17-3-6-19(7-4-17)13-27-11-10-24-22(27)15-30/h3-4,6-12,16,23,30,32H,13-15H2,1H3/t23-/m0/s1","","2020-09-29","2020-11-20","N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide","2020-11-25"],["DY3","3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol","C15 H21 N3 O S","CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2;Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO","InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3","","2019-09-18","2020-05-22","3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol","2020-05-27"],["W4Q","1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one","C26 H21 Cl F N O3","COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4;CC1=C(N(C(=CC1=O)c2ccccc2)c3cc(cc(c3Cl)OC)OC)c4ccc(cc4)F","InChI=1S/C26H21ClFNO3/c1-16-23(30)15-21(17-7-5-4-6-8-17)29(26(16)18-9-11-19(28)12-10-18)22-13-20(31-2)14-24(32-3)25(22)27/h4-15H,1-3H3","IKP104","2023-09-20","2025-10-31","1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one","2025-11-05"],["DY4","N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide","C24 H22 F2 N6 O2 S","C=4C(c3c(c(NC(c2cc1c(CCCC1)s2)=O)c(F)cc3)F)=NNC(C=4Nc5nn(C)c(c5)C)=O;Cn1nc(NC2=CC(=NNC2=O)c3ccc(F)c(NC(=O)c4sc5CCCCc5c4)c3F)cc1C;Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F","InChI=1S/C24H22F2N6O2S/c1-12-9-20(31-32(12)2)27-17-11-16(29-30-23(17)33)14-7-8-15(25)22(21(14)26)28-24(34)19-10-13-5-3-4-6-18(13)35-19/h7-11H,3-6H2,1-2H3,(H,28,34)(H,30,33)(H,27,29,31)","","2017-11-13","2018-11-02","N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide","2018-11-07"],["W4R","methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate","C12 H13 Cl2 N O3","Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC;COC(=O)CN(C)C(=O)Cc1c(Cl)cccc1Cl;CN(CC(=O)OC)C(=O)Cc1c(cccc1Cl)Cl","InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3","","2022-09-02","2022-10-28","methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate","2022-11-02"],["DY5","(2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one","C11 H8 F3 N O4","Cc1ccc2O[CH](CC(=O)c2c1[N+]([O-])=O)C(F)(F)F;Cc1ccc2c(c1[N+](=O)[O-])C(=O)CC(O2)C(F)(F)F","InChI=1S/C11H8F3NO4/c1-5-2-3-7-9(10(5)15(17)18)6(16)4-8(19-7)11(12,13)14/h2-3,8H,4H2,1H3/t8-/m0/s1","","2018-02-05","2019-03-08","(2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one","2019-03-13"],["DY6","2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid","C23 H20 N2 O5 S","O=C(O)c1ccccc1NC(=O)c2cc(ccc2)S(=O)(=O)N4Cc3c(cccc3)CC4;OC(=O)c1ccccc1NC(=O)c2cccc(c2)[S](=O)(=O)N3CCc4ccccc4C3;c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O","InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)","","2008-07-28","2011-06-04","2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid",""],["W4S","7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C7 H8 N4","Cn2ccc1c(ncnc12)N;Cn1ccc2c(N)ncnc12;Cn1ccc2c1ncnc2N","InChI=1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)","","2020-09-29","2020-12-11","7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2020-12-16"],["DY7","2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium","C11 H11 Br2 N4","c1(C)cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br;Cc1cc(Nc2cc(Br)cc(Br)c2)nc(N)[nH+]1;Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br","InChI=1S/C11H10Br2N4/c1-6-2-10(17-11(14)15-6)16-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H3,14,15,16,17)/p+1","","2017-11-14","2017-12-29","2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium","2018-01-03"],["W4T","3-bromo-S-beta-phenylalanine","C9 H10 Br N O2","N[CH](CC(O)=O)c1cccc(Br)c1;c1cc(cc(c1)Br)C(CC(=O)O)N","InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1","(3S)-3-azanyl-3-(3-bromophenyl)propanoic acid","2023-04-28","2024-09-27","(3~{S})-3-azanyl-3-(3-bromophenyl)propanoic acid","2024-01-10"],["W4U","1-(4-chlorophenyl)cyclopentane-1-carboxylic acid","C12 H13 Cl O2","OC(=O)C1(CCCC1)c2ccc(Cl)cc2;c1cc(ccc1C2(CCCC2)C(=O)O)Cl","InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)","","2023-09-25","2025-01-10","1-(4-chlorophenyl)cyclopentane-1-carboxylic acid","2025-01-15"],["DY8","Morpholinohistidine","C10 H17 N3 O3","OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCOCC2;c1c([nH]c[nH+]1)CC(C(=O)O)[NH+]2CCOCC2","InChI=1S/C10H15N3O3/c14-10(15)9(5-8-6-11-7-12-8)13-1-3-16-4-2-13/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1","","2018-02-05","2018-06-08","(2~{S})-3-(1~{H}-imidazol-3-ium-5-yl)-2-morpholin-4-ium-4-yl-propanoic acid","2018-06-13"],["DY9","Fluostatin C","C18 H12 O6","C[C]12O[CH]1[CH](O)c3c(cc(O)c4c5c(O)cccc5C(=O)c34)C2=O;CC12C(O1)C(c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O","InChI=1S/C18H12O6/c1-18-16(23)7-5-9(20)12-10-6(3-2-4-8(10)19)14(21)13(12)11(7)15(22)17(18)24-18/h2-5,15,17,19-20,22H,1H3/t15-,17+,18-/m1/s1","","2019-09-18","2020-09-11","","2020-09-16"],["W4V","6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine","C8 H9 N5","n3n2c(c1CCCc1nc2nc3)N;Nc1n2ncnc2nc3CCCc13;c1nc2nc3c(c(n2n1)N)CCC3","InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2","","2020-09-29","2020-12-11","6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine","2020-12-16"],["W4W","({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile","C11 H18 N2 O S","O=C(CSCC#N)N1CCCCC1CC;CC[CH]1CCCCN1C(=O)CSCC#N;CCC1CCCCN1C(=O)CSCC#N","InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1","","2022-09-02","2022-10-28","({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile","2022-11-02"],["DYA","DIDEHYDROASPARTATE","C4 H5 N O4","NC(=CC(O)=O)C(O)=O;C(=C(C(=O)O)N)C(=O)O","InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1-","","2015-04-24","2024-09-27","(Z)-2-azanylbut-2-enedioic acid","2016-04-13"],["DYB","4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM","C6 H15 B N O3","O(B1OCCO1)CCCC[NH3+];[NH3+]CCCCOB1OCCO1;B1(OCCO1)OCCCC[NH3+]","InChI=1S/C6H14BNO3/c8-3-1-2-4-9-7-10-5-6-11-7/h1-6,8H2/p+1","","2004-02-02","2024-09-27","4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium",""],["W4X","2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid","C22 H15 N O5","OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4;c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(c(c4)O)O)C(=O)C(=O)O","InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28)","","2023-04-28","2024-05-03","2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid","2024-05-08"],["W4Y","1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","C11 H15 N3 O2 S","C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S;CC(C)OCCN1C(=S)NC(=O)c2[nH]ccc12;CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S","InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)","","2020-09-29","2020-12-11","1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","2020-12-16"],["DYC","3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole","C11 H7 Br N2 S","Brc1ccc(cc1)c2csc3nccn23;c1cc(ccc1c2csc3n2ccn3)Br","InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H","","2019-09-18","2020-03-20","3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole","2020-03-25"],["DYD","(2S,5S)-hexane-2,5-diol","C6 H14 O2","CC(CCC(C)O)O;C[CH](O)CC[CH](C)O;CC(CCC(C)O)O","InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1","","2017-11-15","2018-01-19","(2S,5S)-hexane-2,5-diol","2018-01-24"],["W4Z","N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide","C8 H15 N O6","CC(=O)NC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O;CC(=O)NCC1C(C(C(C(O1)O)O)O)O","InChI=1S/C8H15NO6/c1-3(10)9-2-4-5(11)6(12)7(13)8(14)15-4/h4-8,11-14H,2H2,1H3,(H,9,10)/t4-,5-,6+,7-,8+/m1/s1","","2023-09-20","2023-09-22","~{N}-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide","2023-09-27"],["W50","(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol","C13 H18 Br N O2","OC(COc1ccccc1Br)CN1CCCC1;O[CH](COc1ccccc1Br)CN2CCCC2;c1ccc(c(c1)OCC(CN2CCCC2)O)Br","InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1","","2022-09-02","2022-10-28","(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol","2022-11-02"],["DYF","[(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","C19 H36 N3 O8 P","CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O;CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O","InChI=1S/C19H36N3O8P/c1-4-5-6-7-8-9-15(23)20-12-13-21-16(24)10-11-22-18(26)17(25)19(2,3)14-30-31(27,28)29/h8-9,17,25H,4-7,10-14H2,1-3H3,(H,20,23)(H,21,24)(H,22,26)(H2,27,28,29)/b9-8+/t17-/m0/s1","","2019-09-19","2024-09-27","[(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate","2020-05-06"],["W51","6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine","C11 H15 Cl N4","C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3;Nc1ncnc(N2CC3CCC2CC3)c1Cl;c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N","InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+","","2020-09-29","2020-12-11","6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine","2020-12-16"],["DYG","(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid","C15 H15 N3 O6","O=C(O)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2;N[CH](CC(O)=O)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O;c1cc(ccc1C=C2C(=O)N(C(=N2)C(CC(=O)O)N)CC(=O)O)O","InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1","CHROMOPHORE (ASP-TYR-GLY)","2004-10-25","2024-09-27","(3S)-3-amino-3-{(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}propanoic acid",""],["W52","2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid","C22 H15 N O4","Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4;c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(cc4)O)C(=O)C(=O)O","InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27)","","2023-04-28","2024-05-03","2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid","2024-05-08"],["DYH","(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid","C12 H20 N2 O7","O=C(O)C(N)CC2(OC1C(OCC(O)C1NC)C2)C(=O)O;CN[CH]1[CH](O)CO[CH]2C[C](C[CH](N)C(O)=O)(O[CH]12)C(O)=O;CNC1C(COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O)O","InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1","","2008-05-08","2011-06-04","(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)",""],["W53","3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide","C23 H26 N8 O","NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3;c1cc(nc2c1ccc(n2)N)CC(Cc3ccc4ccc(nc4n3)N)C(=O)NCCCN","InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31)","","2023-09-25","2024-04-26","3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide","2024-05-01"],["DYJ","1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline","C10 H13 N O5","O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O;CC(=CC(=O)C(O)=O)N1CCC[CH]1C(O)=O;CC(=CC(=O)C(=O)O)N1CCCC1C(=O)O","InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1","","2017-11-16","2024-09-27","1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline","2017-11-22"],["W54","5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE","C18 H20 Cl2 N2 O3","Clc3c(OCCCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3;Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1;Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl","InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3","WIN54954","1999-07-08","2021-03-01","5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole",""],["DYK","N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine","C24 H26 N6 O2","O(c4ccc(Nc3nc(c2c1ccncc1nc2)ccn3)c(OC)c4)C5CCN(C)CC5;COc1cc(OC2CCN(C)CC2)ccc1Nc3nccc(n3)c4c[nH]c5cnccc45;CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5","InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)","","2014-05-13","2015-04-17","N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine","2015-04-22"],["W55","2H-1-benzopyran-3-carboxylic acid","C10 H8 O3","O=C(O)C1=Cc2ccccc2OC1;OC(=O)C1=Cc2ccccc2OC1;c1ccc2c(c1)C=C(CO2)C(=O)O","InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)","","2022-09-02","2022-10-28","2H-1-benzopyran-3-carboxylic acid","2022-11-02"],["DYL","(2R)-2-aminopent-4-enoic acid","C5 H9 N O2","O=C(O)C(N)C/C=C;N[CH](CC=C)C(O)=O;C=CCC(C(=O)O)N","InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1","","2013-12-20","2024-09-27","(2R)-2-aminopent-4-enoic acid","2015-01-21"],["W56","5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE","C19 H24 N2 O3","N1=C(OCC1C)c3ccc(OCCCCCc2onc(c2)C)cc3;C[CH]1COC(=N1)c2ccc(OCCCCCc3onc(C)c3)cc2;Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NC(CO3)C","InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1","COMPOUND V(S)","1999-07-08","2021-03-01","3-methyl-5-(5-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}pentyl)isoxazole",""],["DYM","(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid","C11 H17 N O8","C(C1=CC(C(C(O1)OCC(CO)O)NC(C)=O)O)(=O)O;CC(=O)N[CH]1[CH](O)C=C(O[CH]1OC[CH](O)CO)C(O)=O;CC(=O)NC1C(C=C(OC1OCC(CO)O)C(=O)O)O","InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,9-,11-/m1/s1","6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID; 2,3-DIHYDROXYPROPYL ETHER\nMIMETIC; (2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid;\n(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid; (2R)-2,3-dihydroxypropyl\n2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic acid","2005-11-28","2020-07-17","(2R)-2,3-dihydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid",""],["W57","3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine","C10 H10 N6 O2","c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC;COc1cc(Cn2cnc(N)c3ncnc23)on1;COc1cc(on1)Cn2cnc(c-3ncnc23)N","InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3","","2020-09-29","2020-12-11","3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine","2020-12-16"],["DYN","5'-O-[(S)-{[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(S)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-O-[(R)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-O-methylguanosine","C30 H47 N10 O17 P3","O=P(OCCCO)(O)OCC6CN(Cc2c1ncnc(N)c1nc2)CC6OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(OC)C5OP(=O)(OCCCCO)O;CO[CH]1[CH](O[P](O)(=O)OCCCCO)[CH](CO[P](O)(=O)O[CH]2CN(C[CH]2CO[P](O)(=O)OCCCO)Cc3c[nH]c4c(N)ncnc34)O[CH]1n5cnc6C(=O)NC(=Nc56)N;COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OC4CN(CC4COP(=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)OP(=O)(O)OCCCCO","InChI=1S/C30H47N10O17P3/c1-50-25-24(57-59(46,47)52-7-3-2-5-41)20(55-29(25)40-16-36-23-27(40)37-30(32)38-28(23)43)14-54-60(48,49)56-19-12-39(10-17-9-33-22-21(17)34-15-35-26(22)31)11-18(19)13-53-58(44,45)51-8-4-6-42/h9,15-16,18-20,24-25,29,33,41-42H,2-8,10-14H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H2,31,34,35)(H3,32,37,38,43)/t18-,19+,20-,24-,25-,29-/m1/s1","","2009-05-22","2011-06-04","5'-O-[(S)-{[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(S)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-O-[(R)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-O-methylguanosine",""],["W58","5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine","C13 H15 N","C1CC=C(CN1)c2ccc3CCc3c2;c1cc2c(cc1C3=CCCNC3)CC2","InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2","","2021-12-09","2022-09-23","5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine","2022-09-28"],["DYO","3-[4-(aminomethyl)phenyl]-6-[[1-[[2-chloranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-one","C28 H29 Cl N8 O3","Cn1nc2C(=O)N(CC3(O)CCN(CC3)Cc4ccc(cc4Cl)c5nocn5)C=Nc2c1c6ccc(CN)cc6;Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)c5ncon5)O)c6ccc(cc6)CN","InChI=1S/C28H29ClN8O3/c1-35-25(19-4-2-18(13-30)3-5-19)23-24(33-35)27(38)37(16-31-23)15-28(39)8-10-36(11-9-28)14-21-7-6-20(12-22(21)29)26-32-17-40-34-26/h2-7,12,16-17,39H,8-11,13-15,30H2,1H3","","2022-04-16","2023-04-14","3-[4-(aminomethyl)phenyl]-6-[[1-[[2-chloranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-one","2023-04-19"],["DYP","1-[1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZYL)PIPERIDIN-4-YL]PROPAN-1-ONE","C22 H28 N8 O","O=C(C4CCN(Cc3ccc(NCc1nc2c(nc1)nc(nc2N)N)cc3)CC4)CC;CCC(=O)C1CCN(CC1)Cc2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2;CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N","InChI=1S/C22H28N8O/c1-2-18(31)15-7-9-30(10-8-15)13-14-3-5-16(6-4-14)25-11-17-12-26-21-19(27-17)20(23)28-22(24)29-21/h3-6,12,15,25H,2,7-11,13H2,1H3,(H4,23,24,26,28,29)","","2005-08-29","2011-06-04","1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one",""],["W59","5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE","C22 H30 N2 O3","N1=C(OCC1CC)c3ccc(OCCCCCCCc2onc(c2)C)cc3;CC[CH]1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2;CCC1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C","InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1","COMPOUND III(S)","1999-07-08","2021-03-01","5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole",""],["W5A","3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine","C10 H10 N6 S","c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3;Cc1scc(Cn2cnc(N)c3ncnc23)n1;Cc1nc(cs1)Cn2cnc(c-3ncnc23)N","InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3","","2020-09-29","2020-12-11","3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine","2020-12-16"],["DYQ","1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide","C21 H17 N5 O3","O=C1N(C)C2CC2C1(O)C#Cc1cc(ccc1)n1nc(c2cccnc21)C(N)=O;CN1[CH]2C[CH]2[C](O)(C#Cc3cccc(c3)n4nc(C(N)=O)c5cccnc45)C1=O;CN1C2CC2C(C1=O)(C#Cc3cccc(c3)n4c5c(cccn5)c(n4)C(=O)N)O","InChI=1S/C21H17N5O3/c1-25-16-11-15(16)21(29,20(25)28)8-7-12-4-2-5-13(10-12)26-19-14(6-3-9-23-19)17(24-26)18(22)27/h2-6,9-10,15-16,29H,11H2,1H3,(H2,22,27)/t15-,16+,21-/m0/s1","","2021-12-01","2023-06-02","1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide","2023-06-07"],["W5B","3-phenylphenol","C12 H10 O","Oc1cccc(c1)c2ccccc2;c1ccc(cc1)c2cccc(c2)O","InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H","","2023-09-25","2025-01-10","3-phenylphenol","2025-01-15"],["DYR","2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide","C21 H14 Cl N3 O","Clc1cccc(C#N)c1NC(=O)Cn2c3ccccc3c4ccccc24;c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N","InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)","","2019-09-20","2020-03-27","2-carbazol-9-yl-~{N}-(2-chloranyl-6-cyano-phenyl)ethanamide","2020-04-01"],["DYS","S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine","C11 H16 N2 O4 S","O=C(O)C(N)CSc1cc(cc(O)c1O)CCN;NCCc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1;c1c(cc(c(c1O)O)SCC(C(=O)O)N)CCN","InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1","","2007-10-08","2024-09-27","S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine",""],["W5C","2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one","C11 H11 N3 O S","Cn1cnnc1SCC(=O)c1ccccc1;Cn1cnnc1SCC(=O)c2ccccc2;Cn1cnnc1SCC(=O)c2ccccc2","InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3","","2022-09-02","2022-10-28","2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one","2022-11-02"],["DYT","(2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid","C6 H7 Cl N2 O2","OC(=O)[CH](Cl)Cc1[nH]cnc1;c1c([nH]cn1)CC(C(=O)O)Cl","InChI=1S/C6H7ClN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,11)/t5-/m0/s1","","2018-02-05","2018-06-08","(2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid","2018-06-13"],["W5D","4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine","C13 H18 N4 O","c2(c1ccnc1ncn2)N3CCOCCCCC3;C1CCOCCN(CC1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCCCOCC3","InChI=1S/C13H18N4O/c1-2-6-17(7-9-18-8-3-1)13-11-4-5-14-12(11)15-10-16-13/h4-5,10H,1-3,6-9H2,(H,14,15,16)","","2020-09-29","2020-12-11","4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine","2020-12-16"],["W5E","2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid","C22 H15 N O6","Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4;c1cc(cc(c1)O)c2ccc3c(c2)c(cn3c4ccc(c(c4)O)O)C(=O)C(=O)O","InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29)","","2023-04-28","2024-05-03","2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid","2024-05-08"],["DYU","~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide","C22 H23 N3 O S","Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(C)c(C)c4)c(C)c1;Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C","InChI=1S/C22H23N3OS/c1-13-5-8-20(16(4)9-13)25-21(18-11-27-12-19(18)24-25)23-22(26)17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,23,26)","","2019-09-20","2020-03-27","~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide","2020-04-01"],["DYV","1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline","C29 H24 Cl N5 O6","c1ccc2c(c1)n5c(N(C2=O)Cc3c(cc(cc3)C(=O)N4CCCC4C(O)=O)Cl)nnc5c6cccc(c6O)OC;COc1cccc(c1O)c2nnc3N(Cc4ccc(cc4Cl)C(=O)N5CCC[CH]5C(O)=O)C(=O)c6ccccc6n23;COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCCC6C(=O)O","InChI=1S/C29H24ClN5O6/c1-41-23-10-4-7-19(24(23)36)25-31-32-29-34(27(38)18-6-2-3-8-21(18)35(25)29)15-17-12-11-16(14-20(17)30)26(37)33-13-5-9-22(33)28(39)40/h2-4,6-8,10-12,14,22,36H,5,9,13,15H2,1H3,(H,39,40)/t22-/m0/s1","","2017-11-17","2026-03-06","1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline","2018-01-17"],["W5F","ALX5407","C24 H24 F N O3","CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O;CN(CCC(c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O","InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1","2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid; ALX-5407; (R)-NFPS","2023-09-20","2024-03-29","2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid","2024-04-03"],["W5G","4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine","C13 H16 N4","n2c1nccc1c(nc2)N4CCCC3(CC3)C4;C1CN(CC2(C1)CC2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4","InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16)","","2020-09-29","2020-12-11","4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine","2020-12-16"],["DYW","(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid","C9 H14 N2 O5","N[CH](CC(O)=O)C(=O)N1CCC[CH]1C(O)=O;C1CC(N(C1)C(=O)C(CC(=O)O)N)C(=O)O","InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1","","2018-02-05","2024-09-27","(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid","2018-08-08"],["DYX","1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide","C24 H24 Cl N3 O4 S","COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)C4(CCCC4)c5ccc(Cl)cc5;COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl","InChI=1S/C24H24ClN3O4S/c1-32-19-10-8-18(9-11-19)28-22(20-14-33(30,31)15-21(20)27-28)26-23(29)24(12-2-3-13-24)16-4-6-17(25)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,26,29)","","2019-09-20","2020-03-27","1-(4-chlorophenyl)-~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide","2020-04-01"],["W5H","(1-methyl-1H-pyrrol-2-yl)acetic acid","C7 H9 N O2","OC(=O)Cc1cccn1C;Cn1cccc1CC(O)=O;Cn1cccc1CC(=O)O","InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)","","2022-09-02","2022-10-28","(1-methyl-1H-pyrrol-2-yl)acetic acid","2022-11-02"],["DYY","1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine","C18 H18 F2 N2 O6 S2","Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3;Fc1cccc(F)c1[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3;c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F","InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2","","2009-03-25","2011-06-04","1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine",""],["W5I","L-Dopa methyl ester","C10 H13 N O4","COC(=O)[CH](N)Cc1ccc(O)c(O)c1;COC(=O)C(Cc1ccc(c(c1)O)O)N","InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m1/s1","methyl (2R)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate; melevodopa; levodopa methyl ester (LDME)","2023-04-28","2024-12-14","methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate","2023-08-30"],["W5J","N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine","C10 H12 N4 O2","c1nc2nccc2c(n1)N(C)CCC(O)=O;CN(CCC(O)=O)c1ncnc2[nH]ccc12;CN(CCC(=O)O)c1c2cc[nH]c2ncn1","InChI=1S/C10H12N4O2/c1-14(5-3-8(15)16)10-7-2-4-11-9(7)12-6-13-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,11,12,13)","","2020-09-29","2020-12-11","N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine","2020-12-16"],["DYZ","7-ethyl-3-(phenylmethyl)purine-2,6-dione","C14 H14 N4 O2","CCn1cnc2N(Cc3ccccc3)C(=O)NC(=O)c12;CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3","InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20)","","2018-02-05","2018-06-15","7-ethyl-3-(phenylmethyl)purine-2,6-dione","2018-06-20"],["W5K","(2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol","C20 H26 F N O3","CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F;CCC(c1ccc(cc1NCCO)c2ccccc2F)OC(C)CO","InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20-/m1/s1","","2023-09-25","2025-01-10","(2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol","2025-01-15"],["DZ","[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C10 H14 N3 O9 P","NC1=C(C=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1)[N+]([O-])=O;C1C(C(OC1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O","InChI=1S/C10H14N3O9P/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(22-7)3-21-23(18,19)20/h1,6-8,14H,2-3H2,(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1","","2018-11-12","2019-06-07","[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2019-06-12"],["W5L","(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol","C10 H14 Cl N O2","Cc1cc(OCC(O)CN)ccc1Cl;Cc1cc(OC[CH](O)CN)ccc1Cl;Cc1cc(ccc1Cl)OCC(CN)O","InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1","","2022-09-02","2022-10-28","(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol","2022-11-02"],["DZ0","(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one","C23 H25 N O2","COc1ccc2c(CC(=CC3CCN(CC3)Cc4ccccc4)C2=O)c1;COc1ccc2c(c1)CC(=CC3CCN(CC3)Cc4ccccc4)C2=O","InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+","","2017-02-28","2018-04-27","(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one","2018-05-02"],["W5M","9-methyl-9H-purine-2,6-diamine","C6 H8 N6","Cn2cnc1c(nc(N)nc12)N;Cn1cnc2c(N)nc(N)nc12;Cn1cnc2c1nc(nc2N)N","InChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11)","","2020-09-29","2020-12-11","9-methyl-9H-purine-2,6-diamine","2020-12-16"],["DZ1","N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide","C15 H13 Br2 N O2","Brc1cc(cc(Br)c1O)NC(=O)c2c(cccc2C)C;Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2;Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C","InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)","","2008-10-07","2011-06-04","N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide",""],["DZ2","2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide","C13 H7 Br2 Cl2 N O2","Brc1cc(cc(Br)c1O)NC(=O)c2cc(Cl)ccc2Cl;Oc1c(Br)cc(NC(=O)c2cc(Cl)ccc2Cl)cc1Br;c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl","InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20)","","2008-10-07","2011-06-04","2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide",""],["W5N","[(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate","C23 H40 N2 O5","CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)N[CH]3CC[CH](N)CC3;CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)NC3CCC(CC3)N)OC)C","InChI=1S/C23H40N2O5/c1-14(2)6-11-18-23(4,30-18)20-19(28-5)17(12-13-22(20,3)27)29-21(26)25-16-9-7-15(24)8-10-16/h6,15-20,27H,7-13,24H2,1-5H3,(H,25,26)/t15-,16-,17-,18+,19-,20+,22-,23+/m1/s1","(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate","2023-05-02","2024-09-27","[(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate","2024-04-10"],["DZ3","N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide","C15 H13 Br2 N O3","Brc1cc(cc(Br)c1O)NC(=O)c2cc(c(O)c(c2)C)C;Cc1cc(cc(C)c1O)C(=O)Nc2cc(Br)c(O)c(Br)c2;Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br","InChI=1S/C15H13Br2NO3/c1-7-3-9(4-8(2)13(7)19)15(21)18-10-5-11(16)14(20)12(17)6-10/h3-6,19-20H,1-2H3,(H,18,21)","","2008-10-08","2011-06-04","N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide",""],["W5O","SSR504734","C20 H20 Cl F3 N2 O","FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl;c1ccc(cc1)C(C2CCCCN2)NC(=O)c3cccc(c3Cl)C(F)(F)F","InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1","2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide","2023-09-20","2024-03-29","2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide","2024-04-03"],["W5P","4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","C11 H13 F N4","c1nc3nccc3c(n1)N2CCCC(F)C2;F[CH]1CCCN(C1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCC(C3)F","InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1","","2020-09-29","2020-12-11","4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","2020-12-16"],["DZ4","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine","C10 H17 N6 O11 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H17N6O11P3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(26-7)2-25-28(18,19)15-29(20,21)27-30(22,23)24/h3-7,17H,1-2H2,(H2,11,12,13)(H2,22,23,24)(H3,15,18,19,20,21)/t5-,6+,7+/m0/s1","","2010-04-29","2011-06-04","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine",""],["W5Q","N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide","C12 H16 F2 N2 O","Fc1cc(F)ccc1C(C)NCC(=O)NCC;CCNC(=O)CN[CH](C)c1ccc(F)cc1F;CCNC(=O)CNC(C)c1ccc(cc1F)F","InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m0/s1","","2022-09-02","2022-10-28","N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide","2022-11-02"],["DZ5","(2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid","C9 H7 F O2 S","O=C(O)C(=Cc1ccc(cc1)F)S;OC(=O)C(S)=Cc1ccc(F)cc1;c1cc(ccc1C=C(C(=O)O)S)F","InChI=1S/C9H7FO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-","","2016-04-30","2017-05-19","(2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid","2017-05-24"],["DZ6","3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide","C36 H37 N7 O","CC(C)c1cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)c5ccc(N)cc5)c2C)cc(c1)N6CCN(C)CC6;Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N","InChI=1S/C36H37N7O/c1-24(2)28-18-30(20-32(19-28)42-16-14-41(4)15-17-42)40-36(44)33-7-5-6-26(25(33)3)10-13-31-21-39-35-22-38-34(23-43(31)35)27-8-11-29(37)12-9-27/h5-9,11-12,18-24H,14-17,37H2,1-4H3,(H,40,44)","","2019-09-26","2019-10-04","3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide","2019-10-09"],["W5R","dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate","C25 H34 F3 N3 O4","COC(=O)C1=C(CCN(C)C)N(C)C(=C(C1c2ccc(cc2)C(F)(F)F)C(=O)OC)CCN(C)C;CN1C(=C(C(C(=C1CCN(C)C)C(=O)OC)c2ccc(cc2)C(F)(F)F)C(=O)OC)CCN(C)C","InChI=1S/C25H34F3N3O4/c1-29(2)14-12-18-21(23(32)34-6)20(16-8-10-17(11-9-16)25(26,27)28)22(24(33)35-7)19(31(18)5)13-15-30(3)4/h8-11,20H,12-15H2,1-7H3","","2023-05-03","2023-07-07","dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate","2023-07-12"],["W5S","7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","C13 H14 N4 O","n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3;Cc1n(Cc2occc2)c3ncnc(N)c3c1C;Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C","InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)","","2020-09-29","2020-12-11","7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","2020-12-16"],["DZ7","(2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one","C24 H27 N O3","COc1cc2CC(=CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC;COc1cc2c(cc1OC)C(=O)C(=CC3CCN(CC3)Cc4ccccc4)C2","InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+","","2017-02-28","2018-04-27","(2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one","2018-05-02"],["W5T","~{N}-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","C14 H19 Cl N2 O3 S","CC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2;CC(=O)NCC1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl","InChI=1S/C14H19ClN2O3S/c1-11(18)16-10-12-6-8-17(9-7-12)21(19,20)14-4-2-13(15)3-5-14/h2-5,12H,6-10H2,1H3,(H,16,18)","","2023-09-25","2025-02-14","~{N}-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","2025-02-19"],["DZ8","2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE","C19 H22 F I N6 O2","Fc1nc2n(c(nc2c(n1)N)Cc3cc4OCOc4cc3I)CCCNC(C)C;CC(C)NCCCn1c(Cc2cc3OCOc3cc2I)nc4c(N)nc(F)nc14;CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4","InChI=1S/C19H22FIN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(20)26-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26)","","2006-06-05","2011-06-04","2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-amine",""],["DZ9","3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide","C18 H12 F N3 O S2","Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4;Nc1c(sc2nc(ccc12)c3sccc3)C(=O)Nc4cccc(F)c4;c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N","InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)","","2009-05-12","2011-06-04","3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide",""],["W5U","N-[2-(dimethylamino)ethyl]-4-fluorobenzamide","C11 H15 F N2 O","O=C(NCCN(C)C)c1ccc(F)cc1;CN(C)CCNC(=O)c1ccc(F)cc1;CN(C)CCNC(=O)c1ccc(cc1)F","InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)","","2022-09-02","2022-10-28","N-[2-(dimethylamino)ethyl]-4-fluorobenzamide","2022-11-02"],["W5V","2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide","C19 H16 F2 N4 O4","C2(=C(C(=O)N=C(c1c(F)cccc1F)N2)O)C(=O)NCCc3cc(OC)ncc3;COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3c(F)cccc3F)ccn1;COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O","InChI=1S/C19H16F2N4O4/c1-29-13-9-10(5-7-22-13)6-8-23-18(27)15-16(26)19(28)25-17(24-15)14-11(20)3-2-4-12(14)21/h2-5,7,9,26H,6,8H2,1H3,(H,23,27)(H,24,25,28)","","2020-09-29","2021-09-24","2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide","2021-09-29"],["DZA","DAMINOZIDE","C6 H12 N2 O3","O=C(NN(C)C)CCC(=O)O;CN(C)NC(=O)CCC(O)=O;CN(C)NC(=O)CCC(=O)O","InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)","","2012-02-08","2014-09-05","4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid",""],["W5W","(1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione","C18 H20 O7","CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C;Cc1cc(c(c2c1C(=O)OC3=C(C(=O)C(C(C3O2)(C)OC)O)C)C)O","InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1","","2023-05-03","2023-11-24","(1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione","2023-11-29"],["DZB","N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide","C17 H15 N3 O2 S","Oc1nsnc1C(=O)NCC(c2ccccc2)c3ccccc3;c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3","InChI=1S/C17H15N3O2S/c21-16(15-17(22)20-23-19-15)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,21)(H,20,22)","","2018-02-06","2018-12-14","~{N}-(2,2-diphenylethyl)-4-oxidanyl-1,2,5-thiadiazole-3-carboxamide","2018-12-19"],["W5X","PF-3463275","C19 H22 Cl F N4 O","CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4;Cn1cc(nc1)C(=O)N(Cc2ccc(c(c2)Cl)F)CC3C4C3CN(C4)C","InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15-","~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide","2023-09-20","2024-03-29","~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide","2024-04-03"],["DZC","3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide","C28 H25 F3 N6 O","CN1CCN(CC1)c2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3C)cc(c2)C(F)(F)F;Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5","InChI=1S/C28H25F3N6O/c1-19-20(6-7-23-17-33-26-18-32-8-9-37(23)26)4-3-5-25(19)27(38)34-22-14-21(28(29,30)31)15-24(16-22)36-12-10-35(2)11-13-36/h3-5,8-9,14-18H,10-13H2,1-2H3,(H,34,38)","","2019-09-26","2019-10-04","3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide","2019-10-09"],["DZD","5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine","C24 H33 N7 O11 P2","O=C(N)c1cc(ccc1)CN2CC(O)C(C2)COP(=O)(O)CP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O;NC(=O)c1cccc(CN2C[CH](O)[CH](CO[P](O)(=O)C[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C2)c1;c1cc(cc(c1)C(=O)N)CN2CC(C(C2)O)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O","InChI=1S/C24H33N7O11P2/c25-21-18-23(28-10-27-21)31(11-29-18)24-20(34)19(33)17(42-24)9-41-44(38,39)12-43(36,37)40-8-15-6-30(7-16(15)32)5-13-2-1-3-14(4-13)22(26)35/h1-4,10-11,15-17,19-20,24,32-34H,5-9,12H2,(H2,26,35)(H,36,37)(H,38,39)(H2,25,27,28)/t15-,16+,17-,19-,20-,24-/m1/s1","","2008-06-24","2011-06-04","5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine",""],["W5Y","5'-O-(L-phenylalanylsulfamoyl)adenosine","C19 H23 N7 O7 S","c1ccccc1CC(N)C(=O)NS(=O)(OCC2OC(C(C2O)O)n3c4c(nc3)c(ncn4)N)=O;N[CH](Cc1ccccc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34;c1ccc(cc1)CC(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N","InChI=1S/C19H23N7O7S/c20-11(6-10-4-2-1-3-5-10)18(29)25-34(30,31)32-7-12-14(27)15(28)19(33-12)26-9-24-13-16(21)22-8-23-17(13)26/h1-5,8-9,11-12,14-15,19,27-28H,6-7,20H2,(H,25,29)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1","","2020-09-29","2021-05-07","5'-O-(L-phenylalanylsulfamoyl)adenosine","2021-05-12"],["DZE","methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate","C11 H19 N O5","O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC;COC(=O)C[CH](NC(=O)OC(C)(C)C)C(C)=O;CC(=O)C(CC(=O)OC)NC(=O)OC(C)(C)C","InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1","","2009-03-10","2011-06-04","methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate",""],["W5Z","3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide","C12 H12 F N3 O","Fc1cccc(c1)C(=O)NCCn1ccnc1;Fc1cccc(c1)C(=O)NCCn2ccnc2;c1cc(cc(c1)F)C(=O)NCCn2ccnc2","InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)","","2022-09-02","2022-10-28","3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide","2022-11-02"],["W61","1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone","C22 H26 F3 N5 O S","O=C(N1CCSC1)C5NCC(N4CCN(c2c3ccccc3nc(c2)C(F)(F)F)CC4)C5;FC(F)(F)c1cc(N2CCN(CC2)[CH]3CN[CH](C3)C(=O)N4CCSC4)c5ccccc5n1;c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5","InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1","","2011-11-08","2012-08-10","1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone",""],["DZF","5-DEAZAFOLIC ACID","C20 H20 N6 O6","O=C(O)C(NC(=O)c1ccc(cc1)NCc2cnc3NC(=NC(=O)c3c2)N)CCC(=O)O;NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2N1;c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N","InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1","","1999-07-08","2011-06-04","N-[(4-{[(2-amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",""],["W62","benzo[a]pyrene","C20 H12","c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45;c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5","InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H","","2023-09-26","2024-01-05","benzo[a]pyrene","2024-01-10"],["DZG","1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine","C19 H22 N2 O7 S2","O=S(=O)(c1ccc(OC)cc1)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3;COc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3;COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4","InChI=1S/C19H22N2O7S2/c1-26-15-2-4-16(5-3-15)29(22,23)20-8-10-21(11-9-20)30(24,25)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14H,8-13H2,1H3","","2009-03-25","2011-06-04","1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine",""],["W63","(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide","C11 H14 Cl N O2 S","Clc1cc(NC(=O)C(C)SCCO)ccc1;C[CH](SCCO)C(=O)Nc1cccc(Cl)c1;CC(C(=O)Nc1cccc(c1)Cl)SCCO","InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1","","2022-09-02","2022-10-28","(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide","2022-11-02"],["DZH","~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide","C25 H26 N6 O5 S","CCn1cnc2N(Cc3ccc(CN[S](=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)C(=O)NC(=O)c12;CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5","InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)","","2018-02-06","2018-06-15","~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide","2018-06-20"],["W64","4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine","C18 H25 N5","CN1CCN(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C","InChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21)","","2016-02-10","2016-04-15","4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)pyridin-3-yl]ethyl]pyridin-2-amine","2016-04-20"],["DZI","3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide","C12 H11 N3 O4","Oc1cc(cc(O)c1O)C(=O)NN=Cc2[nH]ccc2;c1cc([nH]c1)C=NNC(=O)c2cc(c(c(c2)O)O)O","InChI=1S/C12H11N3O4/c16-9-4-7(5-10(17)11(9)18)12(19)15-14-6-8-2-1-3-13-8/h1-6,13,16-18H,(H,15,19)/b14-6+","N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone","2021-12-20","2022-08-22","3,4,5-tris(oxidanyl)-~{N}-[(~{E})-1~{H}-pyrrol-2-ylmethylideneamino]benzamide","2022-03-23"],["DZJ","3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one","C17 H11 Cl N2 O2 S","c1(ccc2c(c1)SC=4N2C(=O)C(Cc3ccccc3)=C(O)N=4)Cl;OC1=C(Cc2ccccc2)C(=O)N3C(=N1)Sc4cc(Cl)ccc34;c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O","InChI=1S/C17H11ClN2O2S/c18-11-6-7-13-14(9-11)23-17-19-15(21)12(16(22)20(13)17)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2","","2017-11-17","2020-02-14","3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one","2017-12-13"],["W65","2,2-bis(fluoranyl)-1-phenyl-ethanone","C8 H6 F2 O","FC(F)C(=O)c1ccccc1;c1ccc(cc1)C(=O)C(F)F","InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H","","2023-05-09","2023-08-25","2,2-bis(fluoranyl)-1-phenyl-ethanone","2023-08-30"],["DZK","(2~{S})-2-(phenylmethylsulfanyl)butanedioic acid","C11 H12 O4 S","OC(=O)C[CH](SCc1ccccc1)C(O)=O;c1ccc(cc1)CSC(CC(=O)O)C(=O)O","InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1","","2018-02-06","2024-09-27","(2~{S})-2-(phenylmethylsulfanyl)butanedioic acid","2018-03-21"],["W66","4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE","C17 H24 N4","CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC","InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)","","2016-02-10","2016-04-15","4-methyl-6-[2-[5-[3-(methylamino)propyl]pyridin-3-yl]ethyl]pyridin-2-amine","2016-04-20"],["DZL","2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide","C20 H28 N2 O3 S","O=C(c1sc(nc1C2OCCC2)CC)NC5C4CC3CC5CC(O)(C3)C4;CCc1sc(C(=O)NC2[CH]3CC4C[CH]2CC(O)(C4)C3)c(n1)[CH]5CCCO5;CCc1nc(c(s1)C(=O)NC2C3CC4CC2CC(C4)(C3)O)C5CCCO5","InChI=1S/C20H28N2O3S/c1-2-15-21-17(14-4-3-5-25-14)18(26-15)19(23)22-16-12-6-11-7-13(16)10-20(24,8-11)9-12/h11-14,16,24H,2-10H2,1H3,(H,22,23)/t11-,12-,13+,14-,16-,20-/m1/s1","","2013-09-23","2014-09-05","2-ethyl-N-[(1R,2s,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-4-[(2R)-tetrahydrofuran-2-yl]-1,3-thiazole-5-carboxamide","2014-03-05"],["W67","6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE","C18 H26 N4","CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C","InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21)","","2016-02-10","2016-04-15","6-[2-[5-[3-(dimethylamino)propyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine","2016-04-20"],["DZM","3-deaza-3-methyladenine","C12 H17 N4 O6 P","O=P(O)(O)OCC3OC(n1cnc2c1c(cnc2N)C)CC3O;Cc1cnc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c12;Cc1cnc(c2c1n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C12H17N4O6P/c1-6-3-14-12(13)10-11(6)16(5-15-10)9-2-7(17)8(22-9)4-21-23(18,19)20/h3,5,7-9,17H,2,4H2,1H3,(H2,13,14)(H2,18,19,20)/t7-,8+,9+/m0/s1","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine","2009-09-24","2021-03-13","1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine",""],["W68","6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine","C18 H24 F N3","Fc2cc(CCc1cc(cc(n1)N)C)cc(c2)CCCNC;CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC","InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)","","2017-09-05","2018-07-06","6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine","2018-07-11"],["W69","6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine","C19 H26 F N3","Fc1cc(cc(c1)CCCN(C)C)CCc2cc(cc(n2)N)C;CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C","InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)","","2017-09-05","2018-07-06","6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine","2018-07-11"],["DZN","DAIDZIN","C21 H20 O9","O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2;OC[CH]1O[CH](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O;c1cc(ccc1C2=COc3cc(ccc3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O","InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1","4',7-DIHYDROXYISOFLAVONE; 7-O-B-D-GLUCOPYRANOSIDE","2003-04-08","2020-06-17","3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside",""],["DZO","3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine","C18 H14 Cl N5","Clc1cccc(c1)Nc2nc3c(cnn3cc2)c4cccc(N)c4;Nc1cccc(c1)c2cnn3ccc(Nc4cccc(Cl)c4)nc23;c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl","InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)","","2008-08-20","2011-06-04","3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine",""],["W6A","4-chloro-1H-indole-2-carboxylic acid","C9 H6 Cl N O2","c2cc1c(cc(C(O)=O)n1)c(c2)Cl;OC(=O)c1[nH]c2cccc(Cl)c2c1;c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl","InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)","","2020-09-29","2020-12-11","4-chloro-1H-indole-2-carboxylic acid","2020-12-16"],["DZP","7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE","C16 H13 Cl N2 O","Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3;CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13;CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl","InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","","2005-07-26","2011-06-04","7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",""],["W6B","2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid","C19 H13 Cl F N O2","OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3;c1ccc(cc1)c2c(cccc2Cl)Nc3ccc(cc3C(=O)O)F","InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24)","","2023-09-20","2023-12-22","2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid","2023-12-27"],["DZQ","Olodaterol","C21 H26 N2 O5","COc1ccc(CC(C)(C)NC[CH](O)c2cc(O)cc3NC(=O)COc23)cc1;CC(C)(Cc1ccc(cc1)OC)NCC(c2cc(cc3c2OCC(=O)N3)O)O","InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1","868049-49-4 ","2023-06-06","2023-09-01","8-[(1~{R})-2-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4~{H}-1,4-benzoxazin-3-one","2023-09-06"],["W6C","N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide","C10 H17 N3 O3","O=C(NC(C)COC)C=1CCC(=O)N(C)N=1;COC[CH](C)NC(=O)C1=NN(C)C(=O)CC1;CC(COC)NC(=O)C1=NN(C(=O)CC1)C","InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1","","2022-09-02","2022-10-28","N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide","2022-11-02"],["DZR","~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide","C19 H27 Cl F N3 O2","CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(F)cc(Cl)c2;CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F","InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)","","2019-09-26","2019-12-13","~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide","2019-12-18"],["W6D","1H-indole-4-carboxamide","C9 H8 N2 O","c2nc1cccc(C(N)=O)c1c2;NC(=O)c1cccc2[nH]ccc12;c1cc(c2cc[nH]c2c1)C(=O)N","InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)","","2020-09-29","2020-12-11","1H-indole-4-carboxamide","2020-12-16"],["DZS","3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid","C23 H15 Cl N4 O4","c2cc1C(=O)N(c4n(c1cc2)c(c3cc(C(O)=O)ccc3O)nn4)Cc5c(cccc5)Cl;OC(=O)c1ccc(O)c(c1)c2nnc3N(Cc4ccccc4Cl)C(=O)c5ccccc5n23;c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl","InChI=1S/C23H15ClN4O4/c24-17-7-3-1-5-14(17)12-27-21(30)15-6-2-4-8-18(15)28-20(25-26-23(27)28)16-11-13(22(31)32)9-10-19(16)29/h1-11,29H,12H2,(H,31,32)","","2017-11-17","2018-01-12","3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid","2018-01-17"],["W6E","7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine","C10 H8 N6","Nc1ncc2ccc(cc2n1)c3[nH]nnc3;c1cc2cnc(nc2cc1c3cnn[nH]3)N","InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16)","","2023-05-09","2024-05-10","7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine","2024-05-15"],["W6F","2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium","C39 H51 N6 O6 S2","O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4cc(C)ccc43)SCC2N1;CN1C=CC(=Cc2sc3ccccc3[n+]2CC(=O)NCCOCCOCCOCCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)c6ccc(C)cc16;Cc1ccc2c(c1)N(C=CC2=Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)C","InChI=1S/C39H50N6O6S2/c1-27-11-12-29-28(13-16-44(2)32(29)23-27)24-37-45(31-7-3-4-8-33(31)53-37)25-36(47)41-15-18-50-20-22-51-21-19-49-17-14-40-35(46)10-6-5-9-34-38-30(26-52-34)42-39(48)43-38/h3-4,7-8,11-13,16,23-24,30,34,38H,5-6,9-10,14-15,17-22,25-26H2,1-2H3,(H3-,40,41,42,43,46,47,48)/p+1/t30-,34-,38?/m0/s1","","2023-09-25","2024-03-22","2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium","2024-03-27"],["DZT","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol","C30 H46 O3","CCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2;CCCCCCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C)(C)O","InChI=1S/C30H46O3/c1-5-6-7-10-15-25(17-18-26-21-28(31)22-29(32)23(26)2)27-16-12-14-24(20-27)13-9-8-11-19-30(3,4)33/h12,14,16-18,20,28-29,31-33H,2,5-11,13,15,19,21-22H2,1,3-4H3/b25-17+,26-18-/t28-,29+/m1/s1","","2018-02-06","2018-05-11","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol","2018-05-16"],["W6G","N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide","C8 H7 N3 O2 S2","c1(ccccc1)S(Nc2scnn2)(=O)=O;O=[S](=O)(Nc1scnn1)c2ccccc2;c1ccc(cc1)S(=O)(=O)Nc2nncs2","InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)","","2020-09-29","2020-12-11","N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide","2020-12-16"],["DZU","8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline","C33 H35 N5 O","CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1;Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)C=Cc5cccc6c5nccc6","InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+","","2019-09-26","2020-09-25","8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline","2020-09-30"],["DZV","4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one","C23 H17 Cl N4 O3","C(c1c(cccc1)Cl)N2c5n(c3c(C2=O)cccc3)c(c4cccc(c4O)OC)nn5;COc1cccc(c1O)c2nnc3N(Cc4ccccc4Cl)C(=O)c5ccccc5n23;COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl","InChI=1S/C23H17ClN4O3/c1-31-19-12-6-9-16(20(19)29)21-25-26-23-27(13-14-7-2-4-10-17(14)24)22(30)15-8-3-5-11-18(15)28(21)23/h2-12,29H,13H2,1H3","","2017-11-19","2018-01-12","4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one","2018-01-17"],["W6H","methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate","C11 H13 N O3 S","O=C(/C=C/c1ccsc1)N(C)CC(=O)OC;COC(=O)CN(C)C(=O)C=Cc1cscc1;CN(CC(=O)OC)C(=O)C=Cc1ccsc1","InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+","","2022-09-02","2022-10-28","methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate","2022-11-02"],["DZW","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol","C31 H48 O3","CCCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2;CCCCCCCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C)(C)O","InChI=1S/C31H48O3/c1-5-6-7-8-11-16-26(18-19-27-22-29(32)23-30(33)24(27)2)28-17-13-15-25(21-28)14-10-9-12-20-31(3,4)34/h13,15,17-19,21,29-30,32-34H,2,5-12,14,16,20,22-23H2,1,3-4H3/b26-18+,27-19-/t29-,30+/m1/s1","","2018-02-06","2018-05-11","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol","2018-05-16"],["W6J","1-(pyridin-2-yl)-1,4-diazepane","C10 H15 N3","C2CN(c1ncccc1)CCCN2;C1CNCCN(C1)c2ccccn2;c1ccnc(c1)N2CCCNCC2","InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2","","2020-09-29","2020-12-11","1-(pyridin-2-yl)-1,4-diazepane","2020-12-16"],["W6K","2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid","C20 H16 Cl N O2","Cc1cccc(Nc2cccc(Cl)c2c3ccccc3)c1C(O)=O;Cc1cccc(c1C(=O)O)Nc2cccc(c2c3ccccc3)Cl","InChI=1S/C20H16ClNO2/c1-13-7-5-11-16(18(13)20(23)24)22-17-12-6-10-15(21)19(17)14-8-3-2-4-9-14/h2-12,22H,1H3,(H,23,24)","","2023-09-20","2023-12-22","2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid","2023-12-27"],["DZX","DEOXY-GALACTO-NOEUROSTEGINE","C8 H15 N O3","OC[CH]1[CH](O)[CH](O)[CH]2CC[CH]1N2;C1CC2C(C(C(C1N2)CO)O)O","InChI=1S/C8H15NO3/c10-3-4-5-1-2-6(9-5)8(12)7(4)11/h4-12H,1-3H2/t4-,5+,6-,7-,8+/m0/s1","","2015-03-17","2015-03-20","(1R,2R,3S,4R,5S)-2-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-3,4-diol","2015-03-25"],["DZY","(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid","C7 H9 N O2 S","O=C(O)Cc1nc(sc1C)C;Cc1sc(C)c(CC(O)=O)n1;Cc1c(nc(s1)C)CC(=O)O","InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10)","","2013-05-10","2013-05-17","(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid","2013-05-22"],["W6L","(3R)-3-amino-3-phenylpropanenitrile","C9 H10 N2","NC(CC#N)c1ccccc1;N[CH](CC#N)c1ccccc1;c1ccc(cc1)C(CC#N)N","InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1","","2022-09-02","2022-10-28","(3R)-3-amino-3-phenylpropanenitrile","2022-11-02"],["DZZ","O,O-DIMETHYL HYDROGEN THIOPHOSPHATE","C2 H7 O3 P S","S=P(O)(OC)OC;CO[P](O)(=S)OC;COP(=S)(O)OC","InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)","DIMETHYL THIOPHOSPHATE","2005-09-12","2020-06-17","O,O-dimethyl hydrogen thiophosphate",""],["W6M","3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid","C12 H11 N3 O4","c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2;Cc1noc(CNC(=O)c2cccc(c2)C(O)=O)n1;Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O","InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)","","2020-09-29","2020-12-11","3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid","2020-12-16"],["W6O","(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide","C22 H24 Cl2 N2 O3 S","Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl;Cc1ccc(cc1)S(=O)(=O)N2CC3CC(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl","InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)/t16-,17+,18-","","2023-09-26","2024-02-09","(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide","2024-02-14"],["E00","benzyltrimethylammonium","C10 H16 N","C[N+](C)(C)Cc1ccccc1;C[N+](C)(C)Cc1ccccc1;C[N+](C)(C)Cc1ccccc1","InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1","","2021-12-01","2022-02-25","N,N,N-trimethyl(phenyl)methanaminium","2022-03-02"],["W6P","1,3-dihydro-2H-indol-2-one","C8 H7 N O","C2(=O)Cc1c(cccc1)N2;O=C1Cc2ccccc2N1;c1ccc2c(c1)CC(=O)N2","InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)","","2020-09-29","2020-12-11","1,3-dihydro-2H-indol-2-one","2020-12-16"],["E01","(1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine","C15 H25 N","C1(CCC2(CC1)C3CC4CC2CC(C3)C4)N;NC1CCC2(CC1)C3CC4CC(C3)CC2C4;C1CC2(CCC1N)C3CC4CC(C3)CC2C4","InChI=1S/C15H25N/c16-14-1-3-15(4-2-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-14H,1-9,16H2/t10-,11+,12-,13+,14-,15-","","2017-11-20","2018-09-14","(1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine","2018-09-19"],["W6Q","(2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide","C13 H20 N2 O2","C[CH](N)[CH](O)C(=O)NCc1cc(C)ccc1C;Cc1ccc(c(c1)CNC(=O)C(C(C)N)O)C","InChI=1S/C13H20N2O2/c1-8-4-5-9(2)11(6-8)7-15-13(17)12(16)10(3)14/h4-6,10,12,16H,7,14H2,1-3H3,(H,15,17)/t10-,12+/m0/s1","","2017-01-09","2024-09-27","(2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide","2017-11-15"],["E02","5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide","C15 H12 Cl N3 O3 S","O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)Cn2c3ccccc3nc2;N[S](=O)(=O)c1cc(ccc1Cl)C(=O)Cn2cnc3ccccc23;c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl","InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)","","2010-03-22","2011-06-04","5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide",""],["W6R","N-[(thiophen-2-yl)methyl]butanamide","C9 H13 N O S","O=C(NCc1cccs1)CCC;CCCC(=O)NCc1sccc1;CCCC(=O)NCc1cccs1","InChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11)","","2022-09-02","2022-10-28","N-[(thiophen-2-yl)methyl]butanamide","2022-11-02"],["E03","6-FLUORO-D-TRYPTOPHAN","C11 H11 F N2 O2","N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O;c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N","InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1","(2R)-2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid","2019-09-27","2024-09-27","(2~{R})-2-azanyl-3-(6-fluoranyl-1~{H}-indol-3-yl)propanoic acid","2019-10-16"],["W6S","4-(1H-pyrazol-3-yl)piperidine","C8 H13 N3","c2cc(C1CCNCC1)nn2;C1CC(CCN1)c2cc[nH]n2;c1c[nH]nc1C2CCNCC2","InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)","","2020-09-29","2020-12-11","4-(1H-pyrazol-3-yl)piperidine","2020-12-16"],["E04","3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN","C25 H33 N O3","O=C(N)c1cc3c(cc1)C2CCC5(C(C2CC3)CCC54OC(=O)C(C)(C)CC4)C;CC1(C)CC[C]2(CC[CH]3[CH]4CCc5cc(ccc5[CH]4CC[C]23C)C(N)=O)OC1=O;CC1(CCC2(CCC3C2(CCC4C3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C","InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1","","2005-06-01","2011-06-04","(8R,9S,13S,14S,17R)-5',5',13-trimethyl-6'-oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-3-carboxamide",""],["W6T","quinazolin-2-amine","C8 H7 N3","Nc1ncc2ccccc2n1;c1ccc2c(c1)cnc(n2)N","InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)","","2023-05-09","2024-05-10","quinazolin-2-amine","2024-05-15"],["E05","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol","C26 H38 O3","CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2;CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C)(C)O","InChI=1S/C26H38O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5-8,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25+/m1/s1","","2018-02-07","2018-05-11","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol","2018-05-16"],["W6U","(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[4-[4-[4-[[3-oxidanylidene-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]-2-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C55 H70 N12 O7 S","Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CCOCCCCN4CCN(CC4)c5ccc(Nc6ncc7C(=O)N(CC=C)N(c8cccc(n8)C(C)(C)O)c7n6)cc5)C(C)(C)C)cc2;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCCCN4CCN(CC4)c5ccc(cc5)Nc6ncc7c(n6)N(N(C7=O)CC=C)c8cccc(n8)C(C)(C)O)O","InChI=1S/C55H70N12O7S/c1-8-23-66-51(71)42-33-57-53(62-49(42)67(66)45-13-11-12-44(60-45)55(6,7)73)59-39-18-20-40(21-19-39)64-27-25-63(26-28-64)24-9-10-29-74-30-22-46(69)61-48(54(3,4)5)52(72)65-34-41(68)31-43(65)50(70)56-32-37-14-16-38(17-15-37)47-36(2)58-35-75-47/h8,11-21,33,35,41,43,48,68,73H,1,9-10,22-32,34H2,2-7H3,(H,56,70)(H,61,69)(H,57,59,62)/t41-,43+,48-/m1/s1","","2023-09-21","2024-09-13","(2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-[3-[4-[4-[4-[[3-oxidanylidene-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]-2-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2024-09-18"],["E06","[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron","C9 H11 B F2 N O4","C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O;[B-](C(C)NC(=O)c1c(cccc1F)F)(O)(O)O","InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m0/s1","","2010-12-15","2024-09-27","[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron",""],["W6V","N-(1,3-thiazol-2-yl)benzamide","C10 H8 N2 O S","c2c(C(=O)Nc1nccs1)cccc2;O=C(Nc1sccn1)c2ccccc2;c1ccc(cc1)C(=O)Nc2nccs2","InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)","","2020-09-29","2020-12-11","N-(1,3-thiazol-2-yl)benzamide","2020-12-16"],["E07","TRIHYDROXY-[(1S)-1-[[2-(PHENYLMETHYL)PHENYL]CARBONYLAMINO]ETHYL]BORON","C16 H19 B N O4","C[CH](NC(=O)c1ccccc1Cc2ccccc2)[B](O)(O)O;B(C(C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O","InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1","","2010-12-15","2024-09-27","trihydroxy-[(1S)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron",""],["W6W","N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide","C11 H15 Br N2 O","Brc1ccccc1CN(C)CCC(N)=O;CN(CCC(N)=O)Cc1ccccc1Br;CN(CCC(=O)N)Cc1ccccc1Br","InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15)","","2022-09-02","2022-10-28","N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide","2022-11-02"],["E08","TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON","C12 H19 B N O4","CC(C)c1ccccc1C(=O)N[CH](C)[B-](O)(O)O;[B-](C(C)NC(=O)c1ccccc1C(C)C)(O)(O)O","InChI=1S/C12H19BNO4/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16,17)18/h4-9,16-18H,1-3H3,(H,14,15)/q-1/t9-/m1/s1","","2010-12-15","2024-09-27","trihydroxy-[(1S)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron",""],["W6X","1,1,1-tris(fluoranyl)propan-2-one","C3 H3 F3 O","CC(=O)C(F)(F)F;CC(=O)C(F)(F)F","InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3","","2020-06-06","2024-09-27","1,1,1-tris(fluoranyl)propan-2-one","2021-06-09"],["E09","3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL","C15 H18 N2 O4","O=C2c1n(c(c(c1C(=O)C(=C2)N3CC3)CO)CCCO)C;Cn1c(CCCO)c(CO)c2C(=O)C(=CC(=O)c12)N3CC3;Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO","InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h7,18-19H,2-6,8H2,1H3","","2000-07-27","2011-06-04","5-aziridin-1-yl-3-(hydroxymethyl)-2-(3-hydroxypropyl)-1-methyl-1H-indole-4,7-dione",""],["W6Y","5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H14 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cccc(C(=O)O)c2cc3;OC(=O)C1=C(CCc2ccc3c(cccc3C(O)=O)c2)C(=O)NC(=O)N1;c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H14N2O6/c21-15-13(14(17(24)25)19-18(26)20-15)7-5-9-4-6-11-10(8-9)2-1-3-12(11)16(22)23/h1-4,6,8H,5,7H2,(H,22,23)(H,24,25)(H2,19,20,21,26)","","2013-03-14","2014-02-28","5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["E0A","N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide","C17 H20 N2 O3 S","CCCCS(Nc1c3c2c(cc1)N(C(c2ccc3)=O)CC)(=O)=O;CCCC[S](=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23;CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC","InChI=1S/C17H20N2O3S/c1-3-5-11-23(21,22)18-14-9-10-15-16-12(14)7-6-8-13(16)17(20)19(15)4-2/h6-10,18H,3-5,11H2,1-2H3","","2015-08-10","2016-01-08","N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide","2016-01-13"],["W6Z","1,1,1-tris(fluoranyl)propane-2,2-diol","C3 H5 F3 O2","CC(O)(O)C(F)(F)F;CC(C(F)(F)F)(O)O","InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3","","2020-06-06","2024-09-27","1,1,1-tris(fluoranyl)propane-2,2-diol","2021-06-09"],["E0B","N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","C21 H25 N3 O4 S","C1C(CCN(C1)C(=O)C)CNS(=O)(c3ccc2N(C(c4c2c3ccc4)=O)CC)=O;CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)NCC4CCN(CC4)C(C)=O;CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C","InChI=1S/C21H25N3O4S/c1-3-24-18-7-8-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)22-13-15-9-11-23(12-10-15)14(2)25/h4-8,15,22H,3,9-13H2,1-2H3","","2015-08-10","2016-01-08","N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide","2016-01-13"],["W70","2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid","C19 H16 N2 O5","OC(=O)C1=C(CCc2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)N1;c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C19H16N2O5/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)26-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)","","2013-03-04","2014-02-28","2,4-bis(oxidanylidene)-5-[2-(4-phenoxyphenyl)ethyl]-1H-pyrimidine-6-carboxylic acid","2014-03-05"],["E0C","5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide","C20 H17 Br N2 O4 S","CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4cc(Br)ccc4OC;CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4cc(Br)ccc4OC)ccc1c23;CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br","InChI=1S/C20H17BrN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3","","2015-09-29","2016-01-08","5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide","2016-01-13"],["W71","5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE","C20 H26 N2 O3","N1=C(OCC1)c3ccc(OCCCCCCCc2onc(c2)C)cc3;Cc1cc(CCCCCCCOc2ccc(cc2)C3=NCCO3)on1;Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3","InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3","COMPOUND IV","1999-07-08","2021-03-01","5-{7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-3-methylisoxazole",""],["E0D","(3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid","C18 H20 N2 O4","CC(=O)c1cn(CC(=O)N2CCC[CH](C2)C(O)=O)c3ccccc13;CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCCC(C3)C(=O)O","InChI=1S/C18H20N2O4/c1-12(21)15-10-20(16-7-3-2-6-14(15)16)11-17(22)19-8-4-5-13(9-19)18(23)24/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,23,24)/t13-/m0/s1","","2017-07-07","2018-06-08","(3~{S})-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid","2018-06-13"],["E0E","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol","C27 H40 O3","CCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2;CCCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCCC(C)(C)O","InChI=1S/C27H40O3/c1-5-10-22(14-15-23-18-25(28)19-26(29)20(23)2)24-13-9-12-21(17-24)11-7-6-8-16-27(3,4)30/h9,12-15,17,25-26,28-30H,2,5-8,10-11,16,18-19H2,1,3-4H3/b22-14+,23-15-/t25-,26+/m1/s1","","2018-02-08","2018-05-11","(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol","2018-05-16"],["W72","6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID","C11 H21 N O9","O=C(O)C(O)C(O)C(O)C(O)CN1C(C(O)C(O)C1)CO;OC[CH]1[CH](O)[CH](O)CN1C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O;C1C(C(C(N1CC(C(C(C(C(=O)O)O)O)O)O)CO)O)O","InChI=1S/C11H21NO9/c13-3-4-7(16)5(14)1-12(4)2-6(15)8(17)9(18)10(19)11(20)21/h4-10,13-19H,1-3H2,(H,20,21)/t4-,5-,6+,7-,8-,9+,10-/m1/s1","","2006-03-08","2011-06-04","6-deoxy-6-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-L-idonic acid",""],["W73","2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid","C21 H16 N2 O4","OC(=O)C1=C(CCc2cc3ccccc3c4ccccc24)C(=O)NC(=O)N1;c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O","InChI=1S/C21H16N2O4/c24-19-17(18(20(25)26)22-21(27)23-19)10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,11H,9-10H2,(H,25,26)(H2,22,23,24,27)","","2013-03-05","2014-02-28","2,4-bis(oxidanylidene)-5-(2-phenanthren-9-ylethyl)-1H-pyrimidine-6-carboxylic acid","2014-03-05"],["E0F","~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide","C24 H27 N3 O2","CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4;CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4","InChI=1S/C24H27N3O2/c1-27(19-11-3-2-4-12-19)16-18-10-6-8-14-22(18)26-24(29)20-15-17-9-5-7-13-21(17)25-23(20)28/h5-10,13-15,19H,2-4,11-12,16H2,1H3,(H,25,28)(H,26,29)","N-(2-{[cyclohexyl(methyl)amino]methyl}phenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide","2019-09-27","2021-03-13","~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide","2020-05-06"],["W74","2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H11 F3 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(OC(F)(F)F)cc2;OC(=O)C1=C(CCc2ccc(OC(F)(F)F)cc2)C(=O)NC(=O)N1;c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F","InChI=1S/C14H11F3N2O5/c15-14(16,17)24-8-4-1-7(2-5-8)3-6-9-10(12(21)22)18-13(23)19-11(9)20/h1-2,4-5H,3,6H2,(H,21,22)(H2,18,19,20,23)","","2013-03-11","2014-02-28","2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["E0G","4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide","C23 H27 F3 N4 O3","CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(N)=O)c(N[CH]4CC[CH](O)CC4)c3;CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C","InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14-","","2017-11-20","2017-11-24","4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide","2017-11-29"],["W75","5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C15 H16 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cc(OC)cc(OC)c2;COc1cc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc(OC)c1;COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C15H16N2O6/c1-22-9-5-8(6-10(7-9)23-2)3-4-11-12(14(19)20)16-15(21)17-13(11)18/h5-7H,3-4H2,1-2H3,(H,19,20)(H2,16,17,18,21)","","2013-03-11","2014-02-28","5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["E0H","5-(3,4-dichlorophenyl)furan-2-carboxylic acid","C11 H6 Cl2 O3","OC(=O)c1oc(cc1)c2ccc(Cl)c(Cl)c2;c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl","InChI=1S/C11H6Cl2O3/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)","","2018-02-08","2019-08-16","5-(3,4-dichlorophenyl)furan-2-carboxylic acid","2019-08-21"],["W76","5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H14 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(OC)c2;COc1cccc(CCC2=C(NC(=O)NC2=O)C(O)=O)c1;COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H14N2O5/c1-21-9-4-2-3-8(7-9)5-6-10-11(13(18)19)15-14(20)16-12(10)17/h2-4,7H,5-6H2,1H3,(H,18,19)(H2,15,16,17,20)","","2013-03-11","2014-02-28","5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["E0J","2-[(4-methoxy-2-methylphenoxy)methyl]pyridine","C14 H15 N O2","c1(ccc(c(C)c1)OCc2ccccn2)OC;COc1ccc(OCc2ccccn2)c(C)c1;Cc1cc(ccc1OCc2ccccn2)OC","InChI=1S/C14H15NO2/c1-11-9-13(16-2)6-7-14(11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3","","2017-11-20","2024-09-27","2-[(4-methoxy-2-methylphenoxy)methyl]pyridine","2018-09-05"],["W77","2,4-dichloro-N-(pyridin-3-yl)benzamide","C12 H8 Cl2 N2 O","c2cc(NC(=O)c1ccc(Cl)cc1Cl)cnc2;Clc1ccc(c(Cl)c1)C(=O)Nc2cccnc2;c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl","InChI=1S/C12H8Cl2N2O/c13-8-3-4-10(11(14)6-8)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)","","2016-04-26","2016-04-29","2,4-dichloro-N-(pyridin-3-yl)benzamide","2016-05-04"],["E0K","(2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one","C17 H18 N2 O3","Cc1onc(C)c1c2ccc3NC(=O)[CH](CC4CC4)Oc3c2;Cc1c(c(on1)C)c2ccc3c(c2)OC(C(=O)N3)CC4CC4","InChI=1S/C17H18N2O3/c1-9-16(10(2)22-19-9)12-5-6-13-14(8-12)21-15(17(20)18-13)7-11-3-4-11/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,18,20)/t15-/m1/s1","","2017-11-15","2018-11-23","(2~{R})-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4~{H}-1,4-benzoxazin-3-one","2018-11-28"],["W78","3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one","C20 H22 F N9 O10 P2 S2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3F)O[CH]5n6cnc7C(=O)NN=Cc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)S)OC5n6cnc7c6C=NNC7=O)O)S)F)N","InChI=1S/C20H22FN9O10P2S2/c21-10-14-9(38-19(10)30-6-26-12-16(22)23-4-24-17(12)30)3-36-42(34,44)40-15-13(31)8(2-35-41(33,43)39-14)37-20(15)29-5-25-11-7(29)1-27-28-18(11)32/h1,4-6,8-10,13-15,19-20,31H,2-3H2,(H,28,32)(H,33,43)(H,34,44)(H2,22,23,24)/t8-,9-,10-,13-,14-,15-,19-,20-,41-,42-/m1/s1","","2023-05-09","2023-07-21","3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one","2023-07-26"],["E0L","3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","C18 H15 N3 O4","CNc1cccc2C=C(C(=O)Nc3cccc(c3)C(O)=O)C(=O)Nc12;CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O","InChI=1S/C18H15N3O4/c1-19-14-7-3-4-10-9-13(17(23)21-15(10)14)16(22)20-12-6-2-5-11(8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25)","3-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}benzoic acid","2019-09-27","2021-03-13","3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","2020-05-06"],["W79","4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine","C21 H24 N4","Nc1nc(cc(c1)C)CCc2cc(cnc2)c3cccc(c3)CNC;CNCc1cccc(c1)c2cncc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC","InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)","","2017-09-05","2018-07-06","4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine","2018-07-11"],["E0M","2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one","C16 H14 N6 O2","CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)c3nnnn3)N)=O)c4;CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)c4[nH]nnn4;CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4","InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)","","2017-11-20","2018-09-21","2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one","2018-09-26"],["W7A","2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid","C19 H16 N2 O4","OC(=O)C1=C(CCc2ccc(cc2)c3ccccc3)C(=O)NC(=O)N1;c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C19H16N2O4/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)","","2013-03-05","2014-02-28","2,4-bis(oxidanylidene)-5-[2-(4-phenylphenyl)ethyl]-1H-pyrimidine-6-carboxylic acid","2014-03-05"],["E0N","(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid","C18 H23 Cl N2 O3","CN1[CH](Cc2cc(Cl)ccc12)C(=O)N[CH](C3CCCCC3)C(O)=O;CN1c2ccc(cc2CC1C(=O)NC(C3CCCCC3)C(=O)O)Cl","InChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1","","2018-02-08","2019-08-16","(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid","2019-08-21"],["W7B","5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid","C17 H14 N2 O4","OC(=O)C1=C(CCc2cccc3ccccc23)C(=O)NC(=O)N1;c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23)","","2013-03-05","2014-02-28","5-(2-naphthalen-1-ylethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid","2014-03-05"],["E0O","2-(4-chloranylphenoxy)-2-methyl-propanoic acid","C10 H11 Cl O3","CC(C)(Oc1ccc(Cl)cc1)C(O)=O;CC(C)(C(=O)O)Oc1ccc(cc1)Cl","InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)","","2019-09-30","2020-11-06","2-(4-chloranylphenoxy)-2-methyl-propanoic acid","2020-11-11"],["W7C","5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cccc(OC)c2cc3;COc1cccc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)ccc12;COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-14-4-2-3-11-9-10(5-7-12(11)14)6-8-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-03-12","2014-02-28","5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["E0P","ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate","C18 H18 N2 O4","CCOC(c3cc2C(=O)c1cc(C(C)C)ccc1Oc2nc3N)=O;CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C;CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C","InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)","","2017-11-20","2018-09-21","ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate","2018-09-26"],["W7D","5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2c(OC)cccc2cc3;COc1cccc2ccc(CCC3=C(NC(=O)NC3=O)C(O)=O)cc12;COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-14-4-2-3-11-7-5-10(9-13(11)14)6-8-12-15(17(22)23)19-18(24)20-16(12)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-03-12","2014-02-28","5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["E0Q","2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid","C12 H12 Cl N O4","Cc1cc2OCC(=O)N(CC(O)=O)c2c(C)c1Cl;Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O","InChI=1S/C12H12ClNO4/c1-6-3-8-12(7(2)11(6)13)14(4-10(16)17)9(15)5-18-8/h3H,4-5H2,1-2H3,(H,16,17)","","2018-02-08","2019-08-16","2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid","2019-08-21"],["W7E","2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid","C24 H26 N4 O7 S","O=C(O)C(C(=O)O)Cc3ccc(OCCNC(=O)NCCC(=O)Nc1ccc2nc(sc2c1)C)cc3;Cc1sc2cc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)ccc2n1;Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O","InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)","2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid","2012-03-01","2021-03-13","(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethoxy}benzyl)propanedioic acid",""],["E0R","4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","C18 H15 N3 O4","CNc1cccc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12;CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O","InChI=1S/C18H15N3O4/c1-19-14-4-2-3-11-9-13(17(23)21-15(11)14)16(22)20-12-7-5-10(6-8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25)","4-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}benzoic acid","2019-09-30","2021-03-13","4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid","2020-05-06"],["W7F","5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3c2cc(OC)ccc2ccc3;COc1ccc2cccc(CCC3=C(NC(=O)NC3=O)C(O)=O)c2c1;COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-12-7-5-10-3-2-4-11(14(10)9-12)6-8-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-03-12","2014-02-28","5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7G","5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H14 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2OC;COc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O;COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H14N2O5/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)","","2013-03-12","2014-02-28","5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7H","5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C17 H14 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3;OC(=O)C1=C(CCc2ccc3ccccc3c2)C(=O)NC(=O)N1;c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23)","","2013-03-12","2014-02-28","5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7I","5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OC;COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O;COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-14-9-11-5-3-2-4-10(11)8-12(14)6-7-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-03-12","2014-02-28","5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7J","5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H14 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)O)cc2cc3;OC(=O)C1=C(CCc2ccc3cc(ccc3c2)C(O)=O)C(=O)NC(=O)N1;c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O","InChI=1S/C18H14N2O6/c21-15-13(14(17(24)25)19-18(26)20-15)6-2-9-1-3-11-8-12(16(22)23)5-4-10(11)7-9/h1,3-5,7-8H,2,6H2,(H,22,23)(H,24,25)(H2,19,20,21,26)","","2013-03-12","2014-02-28","5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7K","5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C19 H18 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(OC)cc2cc3OC;COc1ccc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)c(OC)cc2c1;COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C19H18N2O6/c1-26-13-5-3-10-7-11(15(27-2)9-12(10)8-13)4-6-14-16(18(23)24)20-19(25)21-17(14)22/h3,5,7-9H,4,6H2,1-2H3,(H,23,24)(H2,20,21,22,25)","","2013-03-13","2014-02-28","5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7L","5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C18 H16 N2 O5","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3c2ccc(OC)cc2ccc3;COc1ccc2c(CCC3=C(NC(=O)NC3=O)C(O)=O)cccc2c1;COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C18H16N2O5/c1-25-12-6-8-13-10(3-2-4-11(13)9-12)5-7-14-15(17(22)23)19-18(24)20-16(14)21/h2-4,6,8-9H,5,7H2,1H3,(H,22,23)(H2,19,20,21,24)","","2013-03-12","2014-02-28","5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7M","5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C19 H16 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)OC)cc2cc3;COC(=O)c1ccc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)ccc2c1;COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C19H16N2O6/c1-27-18(25)13-6-5-11-8-10(2-4-12(11)9-13)3-7-14-15(17(23)24)20-19(26)21-16(14)22/h2,4-6,8-9H,3,7H2,1H3,(H,23,24)(H2,20,21,22,26)","","2013-03-13","2014-02-28","5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7N","5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C20 H19 N3 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)NCCO)cc2cc3;OCCNC(=O)c1ccc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)ccc2c1;c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO","InChI=1S/C20H19N3O6/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29)","","2013-03-13","2014-02-28","5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7O","5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H12 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(C(=O)O)c2;OC(=O)C1=C(CCc2cccc(c2)C(O)=O)C(=O)NC(=O)N1;c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)5-4-7-2-1-3-8(6-7)12(18)19/h1-3,6H,4-5H2,(H,18,19)(H,20,21)(H2,15,16,17,22)","","2013-03-13","2014-02-28","5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7P","5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H12 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(C(=O)O)cc2;OC(=O)C1=C(CCc2ccc(cc2)C(O)=O)C(=O)NC(=O)N1;c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O","InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22)","","2013-03-13","2014-02-28","5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7Q","5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C20 H23 N3 O6","O=C(O)C=1NC(=O)NC(=O)C=1CCc2cc3c(cc2)N(C(=O)OC(C)(C)C)CC3;CC(C)(C)OC(=O)N1CCc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)ccc12;CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(H,25,26)(H2,21,22,24,27)","","2013-03-13","2014-02-28","5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-05"],["W7R","2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide","C27 H27 N5 O3","C[CH]1CN(CCO1)Cc2ccccc2C(=O)N[CH]3N=C(c4ccccc4)c5ccncc5NC3=O;CC1CN(CCO1)Cc2ccccc2C(=O)NC3C(=O)Nc4cnccc4C(=N3)c5ccccc5","InChI=1S/C27H27N5O3/c1-18-16-32(13-14-35-18)17-20-9-5-6-10-21(20)26(33)31-25-27(34)29-23-15-28-12-11-22(23)24(30-25)19-7-3-2-4-8-19/h2-12,15,18,25H,13-14,16-17H2,1H3,(H,29,34)(H,31,33)/t18-,25+/m0/s1","","2023-09-27","2023-11-17","2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide","2023-11-22"],["W7S","N-benzylpyrazine-2-carboxamide","C12 H11 N3 O","c2c(CNC(c1cnccn1)=O)cccc2;O=C(NCc1ccccc1)c2cnccn2;c1ccc(cc1)CNC(=O)c2cnccn2","InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)","","2020-09-29","2020-12-11","N-benzylpyrazine-2-carboxamide","2020-12-16"],["W7T","N-(2-aminoethyl)-2-cyclohexylacetamide","C10 H20 N2 O","O=C(CC1CCCCC1)NCCN;NCCNC(=O)CC1CCCCC1;C1CCC(CC1)CC(=O)NCCN","InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(H,12,13)","","2022-09-02","2022-10-28","N-(2-aminoethyl)-2-cyclohexylacetamide","2022-11-02"],["W7U","3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol","C11 H11 Cl N2 O S","Cn1nc(CSc2ccc(Cl)cc2)cc1O;Cn1nc(CSc2ccc(Cl)cc2)cc1O;Cn1c(cc(n1)CSc2ccc(cc2)Cl)O","InChI=1S/C11H11ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-6,15H,7H2,1H3","","2023-05-09","2025-07-25","3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol","2023-06-14"],["W7V","(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide","C11 H15 N3 O","C1CCC3C1(C(N(C)c2cnnc2)=O)C3;CN(C(=O)[C]12CCC[CH]1C2)c3c[nH]nc3;CN(c1c[nH]nc1)C(=O)C23CCCC2C3","InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1","","2020-09-29","2020-12-11","(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide","2020-12-16"],["W7W","~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide","C23 H28 F2 N8 O3 S","CC[CH](C)Nc1cc(Nc2ccnc(n2)c3cnn(c3)[S](=O)(=O)C4CC4)ncc1C(=O)NCCC(F)F;CCC(C)Nc1cc(ncc1C(=O)NCCC(F)F)Nc2ccnc(n2)c3cnn(c3)S(=O)(=O)C4CC4","InChI=1S/C23H28F2N8O3S/c1-3-14(2)30-18-10-21(28-12-17(18)23(34)27-8-6-19(24)25)31-20-7-9-26-22(32-20)15-11-29-33(13-15)37(35,36)16-4-5-16/h7,9-14,16,19H,3-6,8H2,1-2H3,(H,27,34)(H2,26,28,30,31,32)/t14-/m0/s1","","2023-09-21","2023-12-15","~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide","2023-12-20"],["W7X","1-(6-methylpyridin-2-yl)-1,4-diazepane","C11 H17 N3","Cc1nc(ccc1)N1CCCNCC1;Cc1cccc(n1)N2CCCNCC2;Cc1cccc(n1)N2CCCNCC2","InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3","","2022-09-02","2022-10-28","1-(6-methylpyridin-2-yl)-1,4-diazepane","2022-11-02"],["W7Y","4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","C14 H18 N4","c1(ncnc2nccc12)N4C(C3CCC3)CCC4;C1CC(C1)[CH]2CCCN2c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCCC3C4CCC4","InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1","","2020-09-29","2020-12-11","4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","2020-12-16"],["W7Z","(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","C19 H15 Cl N4 O2","Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C;Cc1c(Cl)cccc1OCC2=CC(=O)n3nc(nc3N2)c4ccccc4;Cc1c(cccc1Cl)OCC2=CC(=O)n3c(nc(n3)c4ccccc4)N2","InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)","","2023-05-09","2023-06-09","(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one","2023-06-14"],["W80","4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine","C21 H24 N4","Nc1nc(cc(c1)C)CCc2cc(cnc2)c3ccc(CNC)cc3;CNCc1ccc(cc1)c2cncc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC","InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)","","2017-09-05","2018-07-06","4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine","2018-07-11"],["W81","(5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate","C9 H13 N O3","C(OC1C=CC=C(C(=O)[O-])C1[NH3+])C;CCO[CH]1C=CC=C([CH]1[NH3+])C([O-])=O;CCOC1C=CC=C(C1[NH3+])C(=O)[O-]","InChI=1S/C9H13NO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,7-8H,2,10H2,1H3,(H,11,12)/t7-,8-/m1/s1","","2016-03-24","2017-03-24","(5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate","2017-03-29"],["W82","6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine","C22 H24 F N3","c1(nc(cc(c1)C)CCc2cc(cc(c2)F)c3cc(ccc3)CNC)N;CNCc1cccc(c1)c2cc(F)cc(CCc3cc(C)cc(N)n3)c2;Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC","InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(H2,24,26)","","2017-09-05","2018-07-06","6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine","2018-07-11"],["W83","5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C19 H18 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cc(OCOC)ccc2cc3;COCOc1ccc2ccc(CCC3=C(NC(=O)NC3=O)C(O)=O)cc2c1;COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C19H18N2O6/c1-26-10-27-14-6-5-12-4-2-11(8-13(12)9-14)3-7-15-16(18(23)24)20-19(25)21-17(15)22/h2,4-6,8-9H,3,7,10H2,1H3,(H,23,24)(H2,20,21,22,25)","","2013-03-18","2014-04-04","5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-04-09"],["W84","5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE","C21 H28 N2 O3","N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3;C[CH]1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2;Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NC(CO3)C","InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m0/s1","WIN I(S); WIN 52084 (S)","1999-07-08","2020-06-17","3-methyl-5-(7-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole",""],["W85","5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C15 H14 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(C(=O)OC)c2;COC(=O)c1cccc(CCC2=C(NC(=O)NC2=O)C(O)=O)c1;COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C15H14N2O6/c1-23-14(21)9-4-2-3-8(7-9)5-6-10-11(13(19)20)16-15(22)17-12(10)18/h2-4,7H,5-6H2,1H3,(H,19,20)(H2,16,17,18,22)","","2013-03-18","2014-03-07","5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-12"],["W86","5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C17 H18 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc2ccc(C(=O)OC)cc2;COC(=O)c1ccc(CCCCC2=C(NC(=O)NC2=O)C(O)=O)cc1;COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C17H18N2O6/c1-25-16(23)11-8-6-10(7-9-11)4-2-3-5-12-13(15(21)22)18-17(24)19-14(12)20/h6-9H,2-5H2,1H3,(H,21,22)(H2,18,19,20,24)","","2013-03-18","2014-03-07","5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-12"],["W87","5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C21 H20 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc3cc2cccc(C(=O)OC)c2cc3;COC(=O)c1cccc2cc(CCCCC3=C(NC(=O)NC3=O)C(O)=O)ccc12;COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C21H20N2O6/c1-29-20(27)15-8-4-6-13-11-12(9-10-14(13)15)5-2-3-7-16-17(19(25)26)22-21(28)23-18(16)24/h4,6,8-11H,2-3,5,7H2,1H3,(H,25,26)(H2,22,23,24,28)","","2013-03-18","2014-04-04","5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-04-09"],["W88","5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C20 H18 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc3cc2ccc(C(=O)O)cc2cc3;OC(=O)C1=C(CCCCc2ccc3cc(ccc3c2)C(O)=O)C(=O)NC(=O)N1;c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O","InChI=1S/C20H18N2O6/c23-17-15(16(19(26)27)21-20(28)22-17)4-2-1-3-11-5-6-13-10-14(18(24)25)8-7-12(13)9-11/h5-10H,1-4H2,(H,24,25)(H,26,27)(H2,21,22,23,28)","","2013-03-18","2014-03-07","5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-12"],["W89","2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide","C27 H26 N4 O3","O=C1Nc2ccccc2C(=N[CH]1NC(=O)c3ccccc3CN4CCOCC4)c5ccccc5;c1ccc(cc1)C2=NC(C(=O)Nc3c2cccc3)NC(=O)c4ccccc4CN5CCOCC5","InChI=1S/C27H26N4O3/c32-26(21-11-5-4-10-20(21)18-31-14-16-34-17-15-31)30-25-27(33)28-23-13-7-6-12-22(23)24(29-25)19-8-2-1-3-9-19/h1-13,25H,14-18H2,(H,28,33)(H,30,32)/t25-/m1/s1","","2023-09-27","2023-11-17","2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide","2023-11-22"],["W8A","{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid","C8 H12 N2 O4 S","CC(C(N1CCNC1=O)=O)SCC(=O)O;C[CH](SCC(O)=O)C(=O)N1CCNC1=O;CC(C(=O)N1CCNC1=O)SCC(=O)O","InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1","","2020-09-29","2020-12-11","{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid","2020-12-16"],["W8B","4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one","C8 H10 Cl N3 O2","ClC1=C(C=NNC1=O)N1CCOCC1;ClC1=C(C=NNC1=O)N2CCOCC2;C1COCCN1C2=C(C(=O)NN=C2)Cl","InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13)","","2022-09-02","2022-10-28","4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one","2022-11-02"],["W8C","5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol","C12 H13 N3 O S","C=CCn1c(S)nnc1OCc1ccccc1;Sc1nnc(OCc2ccccc2)n1CC=C;C=CCn1c(nnc1S)OCc2ccccc2","InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)","","2023-05-09","2023-06-09","5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol","2023-06-14"],["W8D","3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine","C10 H13 N5 O","C3(CN2C=NC(=C1N=CN=C12)N)CCCO3;Nc1ncn(C[CH]2CCCO2)c3ncnc13;c1nc-2c(ncn(c2n1)CC3CCCO3)N","InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1","","2020-09-29","2020-12-11","3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine","2020-12-16"],["W8E","3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol","C23 H30 O6","CCOc1cc(ccc1OC)[CH]2Oc3c(OCC)cc(CCCO)cc3[CH]2CO;CCOc1cc(ccc1OC)C2C(c3cc(cc(c3O2)OCC)CCCO)CO","InChI=1S/C23H30O6/c1-4-27-20-13-16(8-9-19(20)26-3)22-18(14-25)17-11-15(7-6-10-24)12-21(28-5-2)23(17)29-22/h8-9,11-13,18,22,24-25H,4-7,10,14H2,1-3H3/t18-,22+/m0/s1","","2023-09-21","2024-08-23","3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol","2024-08-28"],["W8F","1-(3-methoxy-4-methylphenyl)methanamine","C9 H13 N O","Cc1ccc(cc1OC)CN;COc1cc(CN)ccc1C;Cc1ccc(cc1OC)CN","InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3","","2022-09-02","2022-10-28","1-(3-methoxy-4-methylphenyl)methanamine","2022-11-02"],["W8G","4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine","C10 H13 N5 S","n1c(nc3c(c1N2CCSCC2)ccn3)N;Nc1nc2[nH]ccc2c(n1)N3CCSCC3;c1c[nH]c2c1c(nc(n2)N)N3CCSCC3","InChI=1S/C10H13N5S/c11-10-13-8-7(1-2-12-8)9(14-10)15-3-5-16-6-4-15/h1-2H,3-6H2,(H3,11,12,13,14)","","2014-01-15","2015-01-16","4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine","2015-01-21"],["W8H","(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid","C19 H21 Cl O2 S2","Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1;Cc1ccc(S[CH](CCCCSc2ccc(Cl)cc2)C(O)=O)cc1;Cc1ccc(cc1)SC(CCCCSc2ccc(cc2)Cl)C(=O)O","InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1","","2023-05-09","2025-07-25","(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid","2023-06-14"],["W8I","1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine","C19 H19 Cl2 N5 S","Clc1cccc(Sc2ccc3nc(cnc3n2)N2CCC(C)(N)CC2)c1Cl;CC1(N)CCN(CC1)c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2;CC1(CCN(CC1)c2cnc3c(n2)ccc(n3)Sc4cccc(c4Cl)Cl)N","InChI=1S/C19H19Cl2N5S/c1-19(22)7-9-26(10-8-19)15-11-23-18-13(24-15)5-6-16(25-18)27-14-4-2-3-12(20)17(14)21/h2-6,11H,7-10,22H2,1H3","","2023-09-27","2023-12-29","1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine","2024-01-03"],["W8J","3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine","C12 H17 N5 O","C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3;Nc1ncn(CCC[CH]2CCOC2)c3ncnc13;c1nc-2c(ncn(c2n1)CCCC3CCOC3)N","InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1","","2020-09-29","2020-12-11","3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine","2020-12-16"],["W8K","N-[(3-bromophenyl)methyl]acetamide","C9 H10 Br N O","Brc1cc(CNC(C)=O)ccc1;CC(=O)NCc1cccc(Br)c1;CC(=O)NCc1cccc(c1)Br","InChI=1S/C9H10BrNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12)","","2022-09-02","2022-10-28","N-[(3-bromophenyl)methyl]acetamide","2022-11-02"],["W8L","3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one","C16 H12 Cl N O","Clc3ccc(C2=Cc1c(cccc1C)C(=O)N2)cc3;Cc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3;Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl","InChI=1S/C16H12ClNO/c1-10-3-2-4-13-14(10)9-15(18-16(13)19)11-5-7-12(17)8-6-11/h2-9H,1H3,(H,18,19)","","2014-08-08","2015-07-24","3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one","2015-07-29"],["W8M","2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate","C27 H22 Cl2 N2 O3","c4(c1c(cccc1)Cl)c(c2c(cccc2)Cl)nc(c3cccc(c3OC(COC)=O)CC=C)n4;COCC(=O)Oc1c(CC=C)cccc1c2[nH]c(c3ccccc3Cl)c(n2)c4ccccc4Cl;COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C","InChI=1S/C27H22Cl2N2O3/c1-3-9-17-10-8-13-20(26(17)34-23(32)16-33-2)27-30-24(18-11-4-6-14-21(18)28)25(31-27)19-12-5-7-15-22(19)29/h3-8,10-15H,1,9,16H2,2H3,(H,30,31)","","2020-09-29","2021-08-27","2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate","2021-09-01"],["W8N","5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid","C14 H17 Br O3","Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O;Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(O)=O;Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O","InChI=1S/C14H17BrO3/c1-9-4-5-10(6-11(9)15)12(16)7-14(2,3)8-13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)","","2023-05-09","2023-06-09","5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid","2023-06-14"],["W8O","3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol","C21 H26 O6","COc1ccc(cc1OC)[CH]2Oc3c(OC)cc(CCCO)cc3[CH]2CO;COc1ccc(cc1OC)C2C(c3cc(cc(c3O2)OC)CCCO)CO","InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1","","2023-09-21","2024-08-23","3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol","2024-08-28"],["W8P","N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide","C23 H22 N6 O3 S","c2(ccc1n(CC(SC)N(O)C=O)nnc1c2)C#Cc4ccc(Cn3ccnc3CO)cc4;CS[CH](Cn1nnc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)N(O)C=O;CSC(Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O","InChI=1S/C23H22N6O3S/c1-33-23(29(32)16-31)14-28-21-9-8-18(12-20(21)25-26-28)5-2-17-3-6-19(7-4-17)13-27-11-10-24-22(27)15-30/h3-4,6-12,16,23,30,32H,13-15H2,1H3/t23-/m1/s1","","2020-09-30","2020-11-20","N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide","2020-11-25"],["W8R","5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE","C21 H28 N2 O3","N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3;C[CH]1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2;Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NC(CO3)C","InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1","COMPOUND I(R)","1999-07-08","2021-03-01","3-methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole",""],["W8S","(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone","C26 H24 N4 O4","Cn2c(cc(c1cc(ccc1)OC)n2)Nc3cc(O)cc(c3C(=O)N4Cc5c(C4)cccc5)O;COc1cccc(c1)c2cc(Nc3cc(O)cc(O)c3C(=O)N4Cc5ccccc5C4)n(C)n2;Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O","InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3","","2020-09-30","2021-01-22","(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone","2021-01-27"],["W8T","(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid","C18 H19 N O3","O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1;OC(=O)[CH]1CCN([CH]1COc2ccccc2)c3ccccc3;c1ccc(cc1)N2CCC(C2COc3ccccc3)C(=O)O","InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1","","2023-05-09","2023-06-09","(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid","2023-06-14"],["W8U","(4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine","C21 H20 Cl N7 O","Clc1ncccc1Cc1nnc2cc(ccn21)c1nc(ncc1)NC1CCOCC1;Clc1ncccc1Cc2nnc3cc(ccn23)c4ccnc(NC5CCOCC5)n4;c1cc(c(nc1)Cl)Cc2nnc3n2ccc(c3)c4ccnc(n4)NC5CCOCC5","InChI=1S/C21H20ClN7O/c22-20-15(2-1-7-23-20)13-19-28-27-18-12-14(4-9-29(18)19)17-3-8-24-21(26-17)25-16-5-10-30-11-6-16/h1-4,7-9,12,16H,5-6,10-11,13H2,(H,24,25,26)","","2023-09-27","2024-03-22","(4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine","2024-03-27"],["W8V","(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone","C26 H24 N4 O3","c3(O)cc(c(C(=O)N1Cc2c(C1)cccc2)c(c3)Nc5cc(c4c(cccc4)C)nn5C)O;Cn1nc(cc1Nc2cc(O)cc(O)c2C(=O)N3Cc4ccccc4C3)c5ccccc5C;Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O","InChI=1S/C26H24N4O3/c1-16-7-3-6-10-20(16)21-13-24(29(2)28-21)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-8-4-5-9-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3","","2020-09-30","2021-01-22","(1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone","2021-01-27"],["W8W","5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione","C5 H5 Br N2 O2","O=C1NC(=O)N(C)C=C1Br;CN1C=C(Br)C(=O)NC1=O;CN1C=C(C(=O)NC1=O)Br","InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)","","2022-09-02","2022-10-28","5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione","2022-11-02"],["W8X","{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","C16 H13 Br Cl N O4","Brc1ccc(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O;OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2;c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br","InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)","","2013-07-11","2014-04-25","{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid","2014-04-30"],["W8Y","(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone","C24 H21 N5 O3","c1(cc(cc(c1C(=O)N2Cc3c(C2)cccn3)Nc5cc(c4ccccc4)nn5C)O)O;Cn1nc(cc1Nc2cc(O)cc(O)c2C(=O)N3Cc4cccnc4C3)c5ccccc5;Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O","InChI=1S/C24H21N5O3/c1-28-22(12-18(27-28)15-6-3-2-4-7-15)26-19-10-17(30)11-21(31)23(19)24(32)29-13-16-8-5-9-25-20(16)14-29/h2-12,26,30-31H,13-14H2,1H3","","2020-09-30","2021-01-22","(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone","2021-01-27"],["W8Z","5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C19 H18 N2 O6","O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OCOC;COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O;COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O","InChI=1S/C19H18N2O6/c1-26-10-27-15-9-12-5-3-2-4-11(12)8-13(15)6-7-14-16(18(23)24)20-19(25)21-17(14)22/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)(H2,20,21,22,25)","","2013-03-18","2014-03-07","5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2014-03-12"],["W90","5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid","C13 H15 Cl2 N O3","Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1;CC(C)(CC(O)=O)CC(=O)Nc1cc(Cl)cc(Cl)c1;CC(C)(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O","InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)","","2023-05-09","2023-06-09","5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid","2023-06-14"],["W91","5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE","C16 H16 Cl2 N2 O3","Clc3c(OCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3;Cc1cc(CCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1;Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl","InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3","WIN56291","1999-07-08","2020-06-17","5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methylisoxazole",""],["W92","(1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid","C7 H9 N O5","N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O;C1C(C2C(C2O1)C(=O)O)(C(=O)O)N","InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2?,3-,4+,7+/m1/s1","","2023-09-22","2024-07-26","(1~{R},4~{R},5~{S},6~{R})-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid","2024-07-31"],["W93","(2R)-2-amino-2-(3-methoxyphenyl)ethan-1-ol","C9 H13 N O2","COc1cc(ccc1)C(N)CO;COc1cccc(c1)[CH](N)CO;COc1cccc(c1)C(CO)N","InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m0/s1","","2022-09-02","2022-10-28","(2R)-2-amino-2-(3-methoxyphenyl)ethan-1-ol","2022-11-02"],["W94","[(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone","C23 H28 F3 N5 O S","O=C(N1CCSC1)C5NCC(N4CCC(c3cc(nn3c2ccccc2)C(F)(F)F)CC4)C5;FC(F)(F)c1cc([CH]2CCN(CC2)[CH]3CN[CH](C3)C(=O)N4CCSC4)n(n1)c5ccccc5;c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5","InChI=1S/C23H28F3N5OS/c24-23(25,26)21-13-20(31(28-21)17-4-2-1-3-5-17)16-6-8-29(9-7-16)18-12-19(27-14-18)22(32)30-10-11-33-15-30/h1-5,13,16,18-19,27H,6-12,14-15H2/t18-,19-/m0/s1","","2011-11-08","2012-10-19","[(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone","2012-10-19"],["W95","(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid","C15 H24 O4","O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O;CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)[CH]2C[CH]2C(O)=O;CC1CCC(C(C1)OC(=O)C2CC2C(=O)O)C(C)C","InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1","","2023-05-09","2023-06-09","(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid","2023-06-14"],["W96","N-pyridin-4-ylisoquinolin-4-amine","C14 H11 N3","N(c1ccncc1)c2cncc3ccccc23;c1ccc2c(c1)cncc2Nc3ccncc3","InChI=1S/C14H11N3/c1-2-4-13-11(3-1)9-16-10-14(13)17-12-5-7-15-8-6-12/h1-10H,(H,15,17)","","2021-12-09","2022-09-23","~{N}-pyridin-4-ylisoquinolin-4-amine","2022-09-28"],["W97","6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol","C12 H14 N4 O","C#Cc1cnc2c(n1)n(c(n2)O)C(CC)CC;CCC(CC)n1c(O)nc2ncc(nc12)C#C;CCC(CC)n1c2c(ncc(n2)C#C)nc1O","InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)","","2020-10-01","2021-03-19","6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol","2021-03-24"],["W98","N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide","C9 H13 N O2 S2","O=S(C)(=O)N(Cc1cccs1)C1CC1;C[S](=O)(=O)N(Cc1sccc1)C2CC2;CS(=O)(=O)N(Cc1cccs1)C2CC2","InChI=1S/C9H13NO2S2/c1-14(11,12)10(8-4-5-8)7-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3","","2022-09-02","2022-10-28","N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide","2022-11-02"],["W99","[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone","C18 H21 N3 O3 S","C[CH]1C[CH](C)CN(C1)C(=O)c2csc(Nc3ccc4OCOc4c3)n2;CC1CC(CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C","InChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+","","2021-01-25","2022-01-28","[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3~{R},5~{S})-3,5-dimethylpiperidin-1-yl]methanone","2022-02-02"],["W9A","(1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol","C17 H28 F N O2","C(C(c1ccc(F)c(OCC(CCC)CCC)c1)O)CN;CCCC(CCC)COc1cc(ccc1F)[CH](O)CCN;CCCC(CCC)COc1cc(ccc1F)C(CCN)O","InChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1","","2020-10-01","2021-05-28","(1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol","2021-06-02"],["W9B","(2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid","C17 H23 F3 O4","OC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)(C(=O)O)C(F)(F)F;CC(C)(C)c1cc(c(O)c(c1)[C](O)(C(O)=O)C(F)(F)F)C(C)(C)C;CC(C)(C)c1cc(c(c(c1)C(C(=O)O)(C(F)(F)F)O)O)C(C)(C)C","InChI=1S/C17H23F3O4/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20/h7-8,21,24H,1-6H3,(H,22,23)/t16-/m1/s1","","2023-05-09","2023-06-09","(2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid","2023-06-14"],["W9C","(1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate","C27 H41 O8","CC(C)C1CC2CC3(C=O)C4CCC(C)C4CC2(COC2OC(C)C(OC)C(O)C2O)C13C([O-])=O;CO[CH]1[CH](C)O[CH](OC[C]23C[CH]4[CH](C)CC[CH]4[C]5(C[CH]2C[CH](C(C)C)[C]35C([O-])=O)C=O)[CH](O)[CH]1O;CC1CCC2C1CC3(C4CC(C3(C2(C4)C=O)C(=O)[O-])C(C)C)COC5C(C(C(C(O5)C)OC)O)O","InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/p-1/t14-,15-,16+,17-,18-,19+,20+,21+,22-,23+,25+,26+,27+/m1/s1","","2023-09-27","2023-10-27","(1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate","2023-11-01"],["W9D","5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one","C24 H22 N6 O4","c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5;CC1(C)OC(=O)c2ccc(Nc3ncc(c(N[CH](CO)c4ccccc4)n3)c5ocnn5)cc12;CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)NC(CO)c4ccccc4)c5nnco5)C","InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1","","2020-10-01","2021-01-08","5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one","2021-01-13"],["W9E","N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide","C8 H7 F3 N2 O","FC(F)(F)c1ccc(cc1)C(=N)NO;ONC(=N)c1ccc(cc1)C(F)(F)F;c1cc(ccc1C(=N)NO)C(F)(F)F","InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)","","2022-09-02","2022-10-28","N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide","2022-11-02"],["W9F","5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione","C11 H8 Cl2 N2 O2 S","CC1(C(=O)NC(=S)NC1=O)c1ccc(Cl)c(Cl)c1;CC1(C(=O)NC(=S)NC1=O)c2ccc(Cl)c(Cl)c2;CC1(C(=O)NC(=S)NC1=O)c2ccc(c(c2)Cl)Cl","InChI=1S/C11H8Cl2N2O2S/c1-11(5-2-3-6(12)7(13)4-5)8(16)14-10(18)15-9(11)17/h2-4H,1H3,(H2,14,15,16,17,18)","","2023-05-09","2023-06-09","5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione","2023-06-14"],["W9G","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol","C17 H35 N O6","N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCCCCOC;COCCCCCCCCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O;COCCCCCCCCCNC1CC(C(C(C1O)O)O)(CO)O","InChI=1S/C17H35NO6/c1-24-10-8-6-4-2-3-5-7-9-18-13-11-17(23,12-19)16(22)15(21)14(13)20/h13-16,18-23H,2-12H2,1H3/t13-,14-,15+,16-,17-/m0/s1","","2020-10-02","2021-09-24","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol","2021-09-29"],["W9H","2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid","C17 H13 N O2 S","O=C(O)c1sc(Cc2ccccc2)nc1c1ccccc1;OC(=O)c1sc(Cc2ccccc2)nc1c3ccccc3;c1ccc(cc1)Cc2nc(c(s2)C(=O)O)c3ccccc3","InChI=1S/C17H13NO2S/c19-17(20)16-15(13-9-5-2-6-10-13)18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,19,20)","","2023-09-27","2024-09-20","2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid","2024-09-25"],["W9I","5-bromo-2-hydrazinylpyridine","C5 H6 Br N3","Brc1cnc(NN)cc1;NNc1ccc(Br)cn1;c1cc(ncc1Br)NN","InChI=1S/C5H6BrN3/c6-4-1-2-5(9-7)8-3-4/h1-3H,7H2,(H,8,9)","","2022-09-02","2022-10-28","5-bromo-2-hydrazinylpyridine","2022-11-02"],["W9J","N-carbamoyl-L-methionine","C6 H12 N2 O3 S","NC(NC(C(O)=O)CCSC)=O;CSCC[CH](NC(N)=O)C(O)=O;CSCCC(C(=O)O)NC(=O)N","InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m0/s1","","2020-10-02","2021-05-21","N-carbamoyl-L-methionine","2021-05-26"],["W9K","(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione","C13 H11 N O3 S2","Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O;Oc1ccc(cc1)C2=C[C]3(CCS2)SC(=O)NC3=O;c1cc(ccc1C2=CC3(CCS2)C(=O)NC(=O)S3)O","InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1","","2023-05-09","2023-06-09","(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione","2023-06-14"],["W9L","1-ethyl-3-naphthalen-1-ylurea","C13 H14 N2 O","O=C(NCC)Nc2cccc1ccccc12;CCNC(=O)Nc1cccc2ccccc12;CCNC(=O)Nc1cccc2c1cccc2","InChI=1S/C13H14N2O/c1-2-14-13(16)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,15,16)","","2013-09-09","2014-09-26","1-ethyl-3-naphthalen-1-ylurea","2014-10-01"],["W9M","3-(3,4-dichlorophenyl)-1,1-dimethyl-urea","C9 H10 Cl2 N2 O","Clc1ccc(NC(=O)N(C)C)cc1Cl;CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1;CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl","InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)","","2013-09-09","2014-09-26","3-(3,4-dichlorophenyl)-1,1-dimethylurea","2014-10-01"],["W9N","1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one","C31 H33 N7 O2","Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC;CCC(=O)N1[CH]2CC[CH]1C[CH](C2)n3nc(c4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c7c(C)ncnc37;CCC(=O)N1C2CCC1CC(C2)n3c4c(c(ncn4)C)c(n3)c5ccc(c(c5)C)Oc6ccc7c(c6)ncn7C","InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+","","2023-09-27","2024-09-27","1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one","2024-06-12"],["W9O","N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine","C11 H24 N4","CNCC1CCCCC1CN1CNCN1;CNC[CH]1CCCC[CH]1CN2CNCN2;CNCC1CCCCC1CN2CNCN2","InChI=1S/C11H24N4/c1-12-6-10-4-2-3-5-11(10)7-15-9-13-8-14-15/h10-14H,2-9H2,1H3/t10-,11+/m1/s1","","2022-09-02","2022-10-28","N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine","2022-11-02"],["W9P","(1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol","C20 H31 N7 O7","N(C1C(O)C(C(C(C1)(CO)O)O)O)CCCCCCNc2ccc(cc2[N+](=O)[O-])n3cnnn3;OC[C]1(O)C[CH](NCCCCCCNc2ccc(cc2[N+]([O-])=O)n3cnnn3)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCNC3CC(C(C(C3O)O)O)(CO)O","InChI=1S/C20H31N7O7/c28-11-20(32)10-15(17(29)18(30)19(20)31)22-8-4-2-1-3-7-21-14-6-5-13(9-16(14)27(33)34)26-12-23-24-25-26/h5-6,9,12,15,17-19,21-22,28-32H,1-4,7-8,10-11H2/t15-,17-,18+,19-,20-/m0/s1","","2020-10-04","2021-09-24","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-tetrazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol","2021-09-29"],["W9Q","(3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid","C16 H16 Cl N O3","O=C(O)C1C2CC(C1C)C1ON=C(C21)c1ccc(Cl)cc1;C[CH]1[CH]2C[CH]([CH]1C(O)=O)[CH]3[CH]2ON=C3c4ccc(Cl)cc4;CC1C2CC(C1C(=O)O)C3C2ON=C3c4ccc(cc4)Cl","InChI=1S/C16H16ClNO3/c1-7-10-6-11(12(7)16(19)20)13-14(18-21-15(10)13)8-2-4-9(17)5-3-8/h2-5,7,10-13,15H,6H2,1H3,(H,19,20)/t7-,10+,11-,12+,13+,15+/m0/s1","","2023-05-09","2023-06-09","(3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid","2023-06-14"],["W9R","(1R,2S)-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid","C14 H15 Cl2 N O3","OC(=O)[CH]1CCCC[CH]1C(=O)Nc2cc(Cl)cc(Cl)c2;c1c(cc(cc1Cl)Cl)NC(=O)C2CCCCC2C(=O)O","InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1","","2023-09-22","2024-10-25","(1~{R},2~{S})-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid","2024-10-30"],["W9S","(1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C7 H15 N O5","NC1C(C(C(C(CO)(C1)O)O)O)O;N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O;C1C(C(C(C(C1(CO)O)O)O)O)N","InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1","","2020-10-04","2021-09-24","(1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2021-09-29"],["W9T","4-O-beta-D-galactopyranosyl-beta-D-fructofuranose","C12 H22 O11","OC2C(OC1OC(CO)C(O)C(O)C1O)C(OC2(O)CO)CO;OC[CH]1O[CH](O[CH]2[CH](CO)O[C](O)(CO)[CH]2O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O","InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1","","2013-04-23","2020-07-17","4-O-beta-D-galactopyranosyl-beta-D-fructofuranose","2014-03-19"],["W9U","cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone","C12 H22 N2 O2","O=C(C1CCCCC1)N1CCC(NO)CC1;ONC1CCN(CC1)C(=O)C2CCCCC2;C1CCC(CC1)C(=O)N2CCC(CC2)NO","InChI=1S/C12H22N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10-11,13,16H,1-9H2","","2022-09-02","2022-10-28","cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone","2022-11-02"],["W9V","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol","C21 H32 N6 O7","N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCNc2c([N+](=O)[O-])cc(cc2)n3nccn3;OC[C]1(O)C[CH](NCCCCCCNc2ccc(cc2[N+]([O-])=O)n3nccn3)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCNC3CC(C(C(C3O)O)O)(CO)O","InChI=1S/C21H32N6O7/c28-13-21(32)12-16(18(29)19(30)20(21)31)23-8-4-2-1-3-7-22-15-6-5-14(11-17(15)27(33)34)26-24-9-10-25-26/h5-6,9-11,16,18-20,22-23,28-32H,1-4,7-8,12-13H2/t16-,18-,19+,20-,21-/m0/s1","","2020-10-04","2022-08-05","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol","2021-09-29"],["W9W","2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid","C17 H15 N O3 S","O=C(O)C=1CCCC=1C(=O)Nc1sccc1c1ccccc1;OC(=O)C1=C(CCC1)C(=O)Nc2sccc2c3ccccc3;c1ccc(cc1)c2ccsc2NC(=O)C3=C(CCC3)C(=O)O","InChI=1S/C17H15NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,20,21)","","2023-05-09","2025-07-25","2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["W9X","[6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone","C23 H25 N7 O2","Cc1ccc(O)c(C)c1n2c(N)c(C(=O)N3CCn4nccc4C3)c5nc(C)c(C)nc25;Cc1ccc(c(c1n2c(c(c3c2nc(c(n3)C)C)C(=O)N4CCn5c(ccn5)C4)N)C)O","InChI=1S/C23H25N7O2/c1-12-5-6-17(31)13(2)20(12)30-21(24)18(19-22(30)27-15(4)14(3)26-19)23(32)28-9-10-29-16(11-28)7-8-25-29/h5-8,31H,9-11,24H2,1-4H3","","2023-09-29","2023-11-17","[6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone","2023-11-22"],["W9Y","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol","C21 H32 N6 O7","N(CCCCCCNc2ccc(n1ccnn1)cc2[N+]([O-])=O)C3C(O)C(C(C(C3)(CO)O)O)O;OC[C]1(O)C[CH](NCCCCCCNc2ccc(cc2[N+]([O-])=O)n3ccnn3)[CH](O)[CH](O)[CH]1O;c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCNC3CC(C(C(C3O)O)O)(CO)O","InChI=1S/C21H32N6O7/c28-13-21(32)12-16(18(29)19(30)20(21)31)23-8-4-2-1-3-7-22-15-6-5-14(11-17(15)27(33)34)26-10-9-24-25-26/h5-6,9-11,16,18-20,22-23,28-32H,1-4,7-8,12-13H2/t16-,18-,19+,20-,21-/m0/s1","","2020-10-04","2021-10-01","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol","2021-10-06"],["W9Z","6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline","C20 H17 N7","n1nc4ccc(nn4c1C(c3cc2cccnc2cc3)C)c5cn(nc5)C;C[CH](c1ccc2ncccc2c1)c3nnc4ccc(nn34)c5cnn(C)c5;CC(c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C","InChI=1S/C20H17N7/c1-13(14-5-6-17-15(10-14)4-3-9-21-17)20-24-23-19-8-7-18(25-27(19)20)16-11-22-26(2)12-16/h3-13H,1-2H3/t13-/m0/s1","","2012-11-16","2013-11-22","6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline","2013-11-27"],["WA0","(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine","C11 H13 N3","NC(Cc1ncc[NH]1)c1ccccc1;N[CH](Cc1[nH]ccn1)c2ccccc2;c1ccc(cc1)C(Cc2[nH]ccn2)N","InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m1/s1","","2022-09-02","2022-10-28","(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine","2022-11-02"],["WA1","1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea","C9 H8 N4 O S","O=C(Nc1ccccc1)Nc2snnc2;O=C(Nc1snnc1)Nc2ccccc2;c1ccc(cc1)NC(=O)Nc2cnns2","InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)","THIDIAZURON","2011-07-29","2021-03-01","1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea",""],["WA2","(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol","C10 H15 N5 O","n1c(c2c(nc1)ncn2)NCCC(C)CO;C[CH](CO)CCNc1ncnc2nc[nH]c12;CC(CCNc1c2c(nc[nH]2)ncn1)CO","InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1","","2011-07-29","2011-09-30","(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol",""],["WA3","(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol","C42 H68 N6 O27 S4","C1(C(C(O)C(O)C(O1)CO)O)SC2OC(C(C(C2O)O)O)CSCc8nnn(CC3OC(C(C(C3O)O)O)OC4OC(C(C(C4O)O)O)Cn5cc(nn5)CSCC7C(C(O)C(O)C(SC6C(C(O)C(O)C(CO)O6)O)O7)O)c8;OC[CH]1O[CH](S[CH]2O[CH](CSCc3cn(C[CH]4O[CH](O[CH]5O[CH](Cn6cc(CSC[CH]7O[CH](S[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH](O)[CH]7O)nn6)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]4O)nn3)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;c1c(nnn1CC2C(C(C(C(O2)OC3C(C(C(C(O3)Cn4cc(nn4)CSCC5C(C(C(C(O5)SC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSCC7C(C(C(C(O7)SC8C(C(C(C(O8)CO)O)O)O)O)O)O","InChI=1S/C42H68N6O27S4/c49-5-15-21(53)27(59)33(65)39(71-15)78-41-35(67)29(61)23(55)17(73-41)9-76-7-11-1-47(45-43-11)3-13-19(51)25(57)31(63)37(69-13)75-38-32(64)26(58)20(52)14(70-38)4-48-2-12(44-46-48)8-77-10-18-24(56)30(62)36(68)42(74-18)79-40-34(66)28(60)22(54)16(6-50)72-40/h1-2,13-42,49-68H,3-10H2/t13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1","","2020-01-09","2020-10-23","(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)","2020-10-28"],["WA4","5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol","C11 H5 F6 N O S2","FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O;Oc1c(SC(F)(F)F)cc(SC(F)(F)F)c2cccnc12;c1cc2c(cc(c(c2nc1)O)SC(F)(F)F)SC(F)(F)F","InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H","","2023-05-09","2023-06-09","5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol","2023-06-14"],["WA5","4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","C16 H12 F2 N4 O3","ON1C(=O)[CH](C(=O)NCc2ccc(F)cc2F)C(=N)c3cccnc13;c1cc2c(nc1)N(C(=O)C(C2=N)C(=O)NCc3ccc(cc3F)F)O","InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,12,19,25H,7H2,(H,21,23)/b19-13+/t12-/m1/s1","","2015-12-21","2016-02-12","4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide","2016-02-17"],["WA6","(2S)-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid","C11 H14 N O5 P","N[C](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O;c1cc(ccc1C(C2CC2)(C(=O)O)N)P(=O)(O)O","InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)/t11-/m0/s1","","2023-09-22","2024-11-22","(2~{S})-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid","2024-11-27"],["WA7","(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol","C17 H26 N6 O7","N(CCCCNc1ccc(cc1[N+](=O)[O-])N=[N+]=[N-])C2C(C(C(C(C2)(CO)O)O)O)O;OC[C]1(O)C[CH](NCCCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])[CH](O)[CH](O)[CH]1O;c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCNC2CC(C(C(C2O)O)O)(CO)O","InChI=1S/C17H26N6O7/c18-22-21-10-3-4-11(13(7-10)23(29)30)19-5-1-2-6-20-12-8-17(28,9-24)16(27)15(26)14(12)25/h3-4,7,12,14-16,19-20,24-28H,1-2,5-6,8-9H2/t12-,14-,15+,16-,17-/m0/s1","","2020-10-04","2021-10-01","(1S,2S,3R,4S,5S)-5-({4-[(4-azido-2-nitrophenyl)amino]butyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2021-10-06"],["WA8","2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide","C13 H16 N2 O2","O=C(CN1C=CC=CC1=O)N(CC=C)CC=C;C=CCN(CC=C)C(=O)CN1C=CC=CC1=O;C=CCN(CC=C)C(=O)CN1C=CC=CC1=O","InChI=1S/C13H16N2O2/c1-3-8-14(9-4-2)13(17)11-15-10-6-5-7-12(15)16/h3-7,10H,1-2,8-9,11H2","","2022-09-02","2022-10-28","2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide","2022-11-02"],["WA9","(2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid","C23 H20 Cl2 O5","Clc1ccccc1COc1cccc(C(OC)C(=O)O)c1OCc1ccccc1Cl;CO[CH](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc3ccccc3Cl;COC(c1cccc(c1OCc2ccccc2Cl)OCc3ccccc3Cl)C(=O)O","InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)/t22-/m1/s1","","2023-05-09","2023-06-09","(2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid","2023-06-14"],["WAA","(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-(\n1H-indol-3-yl)propanoic acid","C31 H40 N2 O3","CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)[CH]2CC1;CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O)C","InChI=1S/C31H40N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-9,11,16,18-19,24,26-27,32H,7,10,12-15,17H2,1-4H3,(H,33,36)(H,34,35)/t24-,26-,27+,30+,31+/m0/s1","N-Abietoyl-L-Tryptophan","2019-03-15","2020-06-17","(2~{S})-2-[[(1~{R},4~{a}~{R},4~{b}~{R},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,4~{b},5,6,10,10~{a}-octahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid","2020-03-18"],["WAB","(3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine","C21 H24 Cl N7 O S","Nc1nccc(Sc2ccc3nc(cnc3n2)N2CCC3(CC2)COC(C)C3N)c1Cl;C[CH]1OCC2(CCN(CC2)c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)[CH]1N;CC1C(C2(CCN(CC2)c3cnc4c(n3)ccc(n4)Sc5ccnc(c5Cl)N)CO1)N","InChI=1S/C21H24ClN7OS/c1-12-18(23)21(11-30-12)5-8-29(9-6-21)15-10-26-20-13(27-15)2-3-16(28-20)31-14-4-7-25-19(24)17(14)22/h2-4,7,10,12,18H,5-6,8-9,11,23H2,1H3,(H2,24,25)/t12-,18+/m0/s1","","2023-09-28","2023-12-29","(3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine","2024-01-03"],["WAC","N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2H)-yl]propyl}propane-2-sulfonamide","C21 H29 N3 O3 S","CC(C)[S](=O)(=O)NCCCn1c2ccccc2c3C(=O)CN4CCCC[CH]4c13;CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1C4CCCCN4CC3=O","InChI=1S/C21H29N3O3S/c1-15(2)28(26,27)22-11-7-13-24-17-9-4-3-8-16(17)20-19(25)14-23-12-6-5-10-18(23)21(20)24/h3-4,8-9,15,18,22H,5-7,10-14H2,1-2H3/t18-/m0/s1","","2004-01-08","2011-06-04","N-[3-[(5S,12bS)-7-oxo-1,2,3,4,6,12b-hexahydroindolo[2,3-a]quinolizin-12-yl]propyl]propane-2-sulfonamide",""],["WPB","(2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide","C22 H20 F N5 O2","Fc1cccc(c1)C(O)C(=O)Nc1ccc(c2cn(C)c3ncnc(N)c32)c(C)c1;Cn1cc(c2ccc(NC(=O)[CH](O)c3cccc(F)c3)cc2C)c4c(N)ncnc14;Cc1cc(ccc1c2cn(c3c2c(ncn3)N)C)NC(=O)C(c4cccc(c4)F)O","InChI=1S/C22H20FN5O2/c1-12-8-15(27-22(30)19(29)13-4-3-5-14(23)9-13)6-7-16(12)17-10-28(2)21-18(17)20(24)25-11-26-21/h3-11,19,29H,1-2H3,(H,27,30)(H2,24,25,26)/t19-/m1/s1","","2022-10-10","2022-11-25","(2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide","2022-11-30"],["WPC","[29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron","C32 H16 Fe N8","N1=C5c%12c(C=4N=C8c%11ccccc%11C7=NC%10=[N+]6C(=Nc3n(c1c2ccccc23)[Fe]6([N+]=45)N78)c9ccccc9%10)cccc%12;c1ccc2c(c1)C3=NC4=[N+]5C(=Nc6n7c(N=C8c9ccccc9C%10=[N+]8[Fe]57N3C2=N%10)c%11ccccc6%11)c%12ccccc4%12;c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1","InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+4","Phthalocyanine containing Fe","2013-03-27","2021-03-01","[29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron(2+)","2014-01-29"],["WPD","(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","C19 H24 F2 N4 O4","c1(c(CC)nc(N)nc1N)OCCCOc2cccc(CC(C(F)F)C(=O)O)c2;CCc1nc(N)nc(N)c1OCCCOc2cccc(C[CH](C(F)F)C(O)=O)c2;CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CC(C(F)F)C(=O)O","InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m1/s1","","2020-11-03","2021-07-02","(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","2021-07-07"],["WPE","N-{2-[(4S)-6-CHLORO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ETHYL}FURAN-2-CARBOXAMIDE","C22 H20 Cl N3 O2","O=C(NCCN3C(=Nc1ccc(Cl)cc1C3c2ccccc2)C)c4occc4;CC1=Nc2ccc(Cl)cc2[CH](N1CCNC(=O)c3occc3)c4ccccc4;CC1=Nc2ccc(cc2C(N1CCNC(=O)c3ccco3)c4ccccc4)Cl","InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)/t21-/m0/s1","","2009-08-06","2011-06-04","N-{2-[(4S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl]ethyl}furan-2-carboxamide",""],["WPF","3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE","C21 H26 Cl N3","Clc2ccc1N=C(N(C(c1c2)c3ccc(cc3)C)CCCN(C)C)C;CN(C)CCCN1[CH](c2ccc(C)cc2)c3cc(Cl)ccc3N=C1C;Cc1ccc(cc1)C2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl","InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3/t21-/m0/s1","","2009-08-06","2011-06-04","3-[(4S)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4H)-yl]-N,N-dimethylpropan-1-amine",""],["WPG","(3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy\nl)phosphonic acid","C14 H22 N6 O10 P2","c12c(C(=O)NC(N)=N1)ncn2C3C(OCC(P(=O)(O)O)O)CN(C3)C(=O)CCP(O)(O)=O;NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3OC[CH](O)[P](O)(O)=O)C(=O)CC[P](O)(O)=O;c1nc2c(n1C3CN(CC3OCC(O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N","InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10-/m1/s1","[3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine","2016-01-14","2020-06-17","(3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid","2017-12-06"],["WPH","1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea","C31 H32 N6 O3","O=C(Nc1ccccc1)Nc2ccc(cc2)CCNc3ncnc4oc(cc34)c5ccc(OCCN(C)C)cc5;CN(C)CCOc1ccc(cc1)c2oc3ncnc(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)c3c2;CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5","InChI=1S/C31H32N6O3/c1-37(2)18-19-39-26-14-10-23(11-15-26)28-20-27-29(33-21-34-30(27)40-28)32-17-16-22-8-12-25(13-9-22)36-31(38)35-24-6-4-3-5-7-24/h3-15,20-21H,16-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)","","2013-02-26","2013-05-31","1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea","2013-06-05"],["WPI","1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane","C33 H48 N2 O6","O(c1cc(cc(OC)c1OC)C=C/CCCN3CCCN(CCCC=Cc2cc(OC)c(OC)c(OC)c2)CC3)C;COc1cc(C=CCCCN2CCCN(CCCC=Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC;COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCCC=Cc3cc(c(c(c3)OC)OC)OC","InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+","","2012-05-02","2013-04-26","1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane","2013-05-01"],["WPJ","(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","C19 H24 F2 N4 O4","CCc1nc(N)nc(c1OCCCOc2cccc(CC(C(F)F)C(O)=O)c2)N;CCc1nc(N)nc(N)c1OCCCOc2cccc(C[CH](C(F)F)C(O)=O)c2;CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CC(C(F)F)C(=O)O","InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m0/s1","","2020-11-03","2021-07-02","(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid","2021-07-07"],["WPK","6-chloro-5-fluoro-1H-benzimidazole","C7 H4 Cl F N2","Fc1cc2nc[NH]c2cc1Cl;Fc1cc2nc[nH]c2cc1Cl;c1c2c(cc(c1Cl)F)nc[nH]2","InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)","","2023-05-15","2023-06-09","6-chloro-5-fluoro-1H-benzimidazole","2023-06-14"],["WPL","(1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid","C8 H14 O5","C[CH]1C[C](O)(C[CH](O)[CH]1O)C(O)=O;CC1CC(CC(C1O)O)(C(=O)O)O","InChI=1S/C8H14O5/c1-4-2-8(13,7(11)12)3-5(9)6(4)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,8-/m0/s1","","2014-01-15","2024-09-27","(1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","2014-11-05"],["WPM","N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide","C17 H19 N5 O4 S","C3(N(C)C=CC(NC(CN(C)S(c2cc(cc1cnnc12)C)(=O)=O)=O)=C3)=O;CN(CC(=O)NC1=CC(=O)N(C)C=C1)[S](=O)(=O)c2cc(C)cc3cn[nH]c23;Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C","InChI=1S/C17H19N5O4S/c1-11-6-12-9-18-20-17(12)14(7-11)27(25,26)22(3)10-15(23)19-13-4-5-21(2)16(24)8-13/h4-9H,10H2,1-3H3,(H,18,20)(H,19,23)","","2020-11-04","2021-01-22","N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide","2021-01-27"],["WPN","~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","C14 H18 Br Cl N2 O3 S","ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2;c1cc(ccc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)Br","InChI=1S/C14H18BrClN2O3S/c15-12-1-3-13(4-2-12)22(20,21)18-7-5-11(6-8-18)10-17-14(19)9-16/h1-4,11H,5-10H2,(H,17,19)","","2023-10-10","2025-04-18","~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","2025-04-23"],["WPO","5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine","C13 H18 N5 O7 P","O=P(O)(OCC=C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OCC=C)[CH](O)[CH]3O;C=CCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C13H18N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h2,5-7,9-10,13,19-20H,1,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1","","2022-10-10","2022-10-14","5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine","2022-10-19"],["WPP","Piperacillin","C23 H27 N5 O7 S","O=C1C(=O)N(CC)CCN1C(=O)NC(c2ccccc2)C(=O)NC4C(=O)N3C(C(=O)O)C(SC34)(C)C;CCN1CCN(C(=O)N[CH](C(=O)N[CH]2[CH]3SC(C)(C)[CH](N3C2=O)C(O)=O)c4ccccc4)C(=O)C1=O;CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1","(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thi\na-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","2011-01-06","2020-06-17","(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["WPQ","2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C14 H15 N O5 S","CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O;CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(O)=O;CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(=O)O","InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)","","2023-05-15","2023-06-09","2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["WPR","7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine","C20 H20 N6","Cc1nn(CC2CC2)c(C)c1c3cncc(c3)c4ccnc5nc[nH]c45;Cc1c(c(n(n1)CC2CC2)C)c3cc(cnc3)c4ccnc5c4[nH]cn5","InChI=1S/C20H20N6/c1-12-18(13(2)26(25-12)10-14-3-4-14)16-7-15(8-21-9-16)17-5-6-22-20-19(17)23-11-24-20/h5-9,11,14H,3-4,10H2,1-2H3,(H,22,23,24)","","2023-10-10","2023-12-29","7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine","2024-01-03"],["WPS","5-amino-3-methyl-1H-pyrazole-4-carbonitrile","C5 H6 N4","n1nc(c(C#N)c1N)C;Cc1n[nH]c(N)c1C#N;Cc1c(c([nH]n1)N)C#N","InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)","","2020-11-04","2021-01-08","5-amino-3-methyl-1H-pyrazole-4-carbonitrile","2021-01-13"],["WPT","3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid","C22 H21 N O3","O=C(O)CCc1ccc(cc1)NCc1cc(Oc2ccccc2)ccc1;OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1;c1ccc(cc1)Oc2cccc(c2)CNc3ccc(cc3)CCC(=O)O","InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)","","2022-10-11","2023-06-16","3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid","2023-06-21"],["WPU","(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione","C11 H8 Cl2 N2 O2 S","Clc1ccc(cc1Cl)C1SCC2C(=O)NC(=O)N12;Clc1ccc(cc1Cl)[CH]2SC[CH]3N2C(=O)NC3=O;c1cc(c(cc1C2N3C(CS2)C(=O)NC3=O)Cl)Cl","InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)10-15-8(4-18-10)9(16)14-11(15)17/h1-3,8,10H,4H2,(H,14,16,17)/t8-,10-/m1/s1","","2023-05-15","2023-06-09","(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione","2023-06-14"],["WPV","1-(5-bromopyridin-3-yl)methanamine","C6 H7 Br N2","n1cc(cc(c1)Br)CN;NCc1cncc(Br)c1;c1c(cncc1Br)CN","InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2","","2020-11-04","2021-01-08","1-(5-bromopyridin-3-yl)methanamine","2021-01-13"],["WPW","2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","C14 H17 Cl2 F N2 O3 S","Fc1cc(ccc1Cl)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl;c1cc(c(cc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)F)Cl","InChI=1S/C14H17Cl2FN2O3S/c15-8-14(20)18-9-10-3-5-19(6-4-10)23(21,22)11-1-2-12(16)13(17)7-11/h1-2,7,10H,3-6,8-9H2,(H,18,20)","","2023-10-10","2025-04-18","2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","2025-04-23"],["WPX","(2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide","C23 H22 F N5 O2","Fc1cccc(c1)C(O)C(=O)Nc1ccc(c2cn(C)c3nc(C)nc(N)c32)c(C)c1;Cn1cc(c2ccc(NC(=O)[CH](O)c3cccc(F)c3)cc2C)c4c(N)nc(C)nc14;Cc1cc(ccc1c2cn(c3c2c(nc(n3)C)N)C)NC(=O)C(c4cccc(c4)F)O","InChI=1S/C23H22FN5O2/c1-12-9-16(28-23(31)20(30)14-5-4-6-15(24)10-14)7-8-17(12)18-11-29(3)22-19(18)21(25)26-13(2)27-22/h4-11,20,30H,1-3H3,(H,28,31)(H2,25,26,27)/t20-/m1/s1","","2022-10-11","2022-11-25","(2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide","2022-11-30"],["WPY","N-(1,3-thiazol-2-yl)acetamide","C5 H6 N2 O S","n1c(NC(=O)C)scc1;CC(=O)Nc1sccn1;CC(=O)Nc1nccs1","InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)","","2020-11-04","2021-01-08","N-(1,3-thiazol-2-yl)acetamide","2021-01-13"],["WPZ","6-methyl-3-phenyl-1,2,4-triazin-5-ol","C10 H9 N3 O","Oc1nc(nnc1C)c1ccccc1;Cc1nnc(nc1O)c2ccccc2;Cc1c(nc(nn1)c2ccccc2)O","InChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)","","2023-05-15","2023-06-09","6-methyl-3-phenyl-1,2,4-triazin-5-ol","2023-06-14"],["WQ0","~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","C14 H17 Br Cl F N2 O3 S","Fc1cc(ccc1Br)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl;c1cc(c(cc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)F)Br","InChI=1S/C14H17BrClFN2O3S/c15-12-2-1-11(7-13(12)17)23(21,22)19-5-3-10(4-6-19)9-18-14(20)8-16/h1-2,7,10H,3-6,8-9H2,(H,18,20)","","2023-10-10","2025-04-18","~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide","2025-04-23"],["WQ1","(4-methylpyridin-3-yl)methanol","C7 H9 N O","n1cc(CO)c(cc1)C;Cc1ccncc1CO;Cc1ccncc1CO","InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3","","2020-11-04","2021-01-08","(4-methylpyridin-3-yl)methanol","2021-01-13"],["WQ2","(2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide","C24 H22 F3 N5 O2","FC(F)(F)c1cccc(c1)C(O)C(=O)Nc1ccc(c2cn(C)c3nc(C)nc(N)c32)c(C)c1;Cn1cc(c2ccc(NC(=O)[CH](O)c3cccc(c3)C(F)(F)F)cc2C)c4c(N)nc(C)nc14;Cc1cc(ccc1c2cn(c3c2c(nc(n3)C)N)C)NC(=O)C(c4cccc(c4)C(F)(F)F)O","InChI=1S/C24H22F3N5O2/c1-12-9-16(31-23(34)20(33)14-5-4-6-15(10-14)24(25,26)27)7-8-17(12)18-11-32(3)22-19(18)21(28)29-13(2)30-22/h4-11,20,33H,1-3H3,(H,31,34)(H2,28,29,30)/t20-/m1/s1","","2022-10-11","2022-11-25","(2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide","2022-11-30"],["WQ3","2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","C16 H14 Cl N3 O4","Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O;Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O;Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl","InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23)","","2023-05-15","2023-06-09","2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid","2023-06-14"],["WQ4","5-amino-2-methyl-1,3-oxazole-4-carbonitrile","C5 H5 N3 O","N#Cc1c(oc(n1)C)N;Cc1oc(N)c(n1)C#N;Cc1nc(c(o1)N)C#N","InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3","","2020-11-04","2021-01-08","5-amino-2-methyl-1,3-oxazole-4-carbonitrile","2021-01-13"],["WQ5","2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide","C15 H17 Cl F4 N2 O3 S","Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl;c1cc(c(cc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)F)C(F)(F)F","InChI=1S/C15H17ClF4N2O3S/c16-8-14(23)21-9-10-3-5-22(6-4-10)26(24,25)11-1-2-12(13(17)7-11)15(18,19)20/h1-2,7,10H,3-6,8-9H2,(H,21,23)","","2023-10-10","2025-04-18","2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide","2025-04-23"],["WQ6","(2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone","C20 H27 N5 O3 S","O=S(C)(=O)N1CCC(Nc2nc3cc(ccc3cn2)C(=O)N2CCCC2C)CC1;C[CH]1CCCN1C(=O)c2ccc3cnc(NC4CCN(CC4)[S](C)(=O)=O)nc3c2;CC1CCCN1C(=O)c2ccc3cnc(nc3c2)NC4CCN(CC4)S(=O)(=O)C","InChI=1S/C20H27N5O3S/c1-14-4-3-9-25(14)19(26)15-5-6-16-13-21-20(23-18(16)12-15)22-17-7-10-24(11-8-17)29(2,27)28/h5-6,12-14,17H,3-4,7-11H2,1-2H3,(H,21,22,23)/t14-/m0/s1","","2022-10-12","2023-10-13","(2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone","2023-10-18"],["WQ7","1-(2-aminoethyl)pyridin-2(1H)-one","C7 H10 N2 O","NCCN1C(C=CC=C1)=O;NCCN1C=CC=CC1=O;C1=CC(=O)N(C=C1)CCN","InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2","","2020-11-04","2021-01-08","1-(2-aminoethyl)pyridin-2(1H)-one","2021-01-13"],["WQ8","(1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid","C15 H15 N O2 S","O=C(O)C1C2CCC(C2)C1c1nc2ccccc2s1;OC(=O)[CH]1[CH]2CC[CH](C2)[CH]1c3sc4ccccc4n3;c1ccc2c(c1)nc(s2)C3C4CCC(C4)C3C(=O)O","InChI=1S/C15H15NO2S/c17-15(18)13-9-6-5-8(7-9)12(13)14-16-10-3-1-2-4-11(10)19-14/h1-4,8-9,12-13H,5-7H2,(H,17,18)/t8-,9+,12+,13+/m0/s1","","2023-05-15","2023-06-09","(1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid","2023-06-14"],["WQ9","1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone","C15 H17 Br Cl F N2 O3 S","Fc1cc(ccc1Br)[S](=O)(=O)N2CC[C]3(CCN(C3)C(=O)CCl)C2;c1cc(c(cc1S(=O)(=O)N2CCC3(C2)CCN(C3)C(=O)CCl)F)Br","InChI=1S/C15H17BrClFN2O3S/c16-12-2-1-11(7-13(12)18)24(22,23)20-6-4-15(10-20)3-5-19(9-15)14(21)8-17/h1-2,7H,3-6,8-10H2/t15-/m1/s1","","2023-10-10","2025-04-11","1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone","2025-04-16"],["WQA","2H-pyrazolo[3,4-b]pyridin-5-amine","C6 H6 N4","n1c2c(cc(N)c1)cnn2;Nc1cnc2n[nH]cc2c1;c1c2c[nH]nc2ncc1N","InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10)","","2020-11-04","2021-01-08","2H-pyrazolo[3,4-b]pyridin-5-amine","2021-01-13"],["WQB","N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide","C21 H23 F6 N O3 S","O=S(=O)(N(CCCCCC)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1;CCCCCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c2ccccc2;CCCCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2","InChI=1S/C21H23F6NO3S/c1-2-3-4-8-15-28(32(30,31)18-9-6-5-7-10-18)17-13-11-16(12-14-17)19(29,20(22,23)24)21(25,26)27/h5-7,9-14,29H,2-4,8,15H2,1H3","","2022-10-12","2023-03-10","N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide","2023-03-15"],["WQC","2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid","C12 H11 N O3 S2","O=C(O)c1csc(CSc2cccc(OC)c2)n1;COc1cccc(SCc2scc(n2)C(O)=O)c1;COc1cccc(c1)SCc2nc(cs2)C(=O)O","InChI=1S/C12H11NO3S2/c1-16-8-3-2-4-9(5-8)17-7-11-13-10(6-18-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)","","2023-05-15","2023-06-09","2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid","2023-06-14"],["WQD","UDP-4-deoxy-4-formamido-beta-L-arabinopyranose","C15 H23 N3 O16 P2","C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O;O[CH]1[CH](O)[CH](OC[CH]1NC=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O","InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1","[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate","2020-11-04","2020-11-06","[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)","2020-11-11"],["WQE","1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone","C15 H17 Br Cl F N2 O3 S","Fc1cc(ccc1Br)[S](=O)(=O)N2CCCC3(CN(C3)C(=O)CCl)C2;c1cc(c(cc1S(=O)(=O)N2CCCC3(C2)CN(C3)C(=O)CCl)F)Br","InChI=1S/C15H17BrClFN2O3S/c16-12-3-2-11(6-13(12)18)24(22,23)20-5-1-4-15(10-20)8-19(9-15)14(21)7-17/h2-3,6H,1,4-5,7-10H2","","2023-10-10","2025-04-18","1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone","2025-04-23"],["WQF","(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid","C12 H17 N2 O7 P","Oc1c(CNC(C=C)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(CN[CH](C=C)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C=C)C(=O)O)O","InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,10,14-15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1","","2022-10-12","2024-09-27","(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid","2023-10-25"],["WQG","quinazolin-4(3H)-one","C8 H6 N2 O","N2C=Nc1c(cccc1)C2=O;O=C1NC=Nc2ccccc12;c1ccc2c(c1)C(=O)NC=N2","InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)","","2020-11-04","2021-01-08","quinazolin-4(3H)-one","2021-01-13"],["WQH","5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole","C15 H14 N4 O","Cc1ccc(cc1Oc1ccccc1)Cc1nnn[NH]1;Cc1ccc(Cc2[nH]nnn2)cc1Oc3ccccc3;Cc1ccc(cc1Oc2ccccc2)Cc3[nH]nnn3","InChI=1S/C15H14N4O/c1-11-7-8-12(10-15-16-18-19-17-15)9-14(11)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17,18,19)","","2023-05-15","2023-06-09","5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole","2023-06-14"],["WQI","2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","C14 H18 Cl I N2 O3 S","ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(I)cc2;c1cc(ccc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)I","InChI=1S/C14H18ClIN2O3S/c15-9-14(19)17-10-11-5-7-18(8-6-11)22(20,21)13-3-1-12(16)2-4-13/h1-4,11H,5-10H2,(H,17,19)","","2023-10-10","2025-07-21","2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide","2025-04-16"],["WQJ","7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine","C8 H10 N2 O","Nc2cnc1CCOCc1c2;Nc1cnc2CCOCc2c1;c1c(cnc2c1COCC2)N","InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2","","2020-11-04","2021-01-08","7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine","2021-01-13"],["WQK","N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide","C22 H25 N5 O3 S","CC1CCCN1C(=O)c1cc2nc(Nc3ccc(cc3C)S(=O)(=O)NC)ncc2cc1;CN[S](=O)(=O)c1ccc(Nc2ncc3ccc(cc3n2)C(=O)N4CCC[CH]4C)c(C)c1;Cc1cc(ccc1Nc2ncc3ccc(cc3n2)C(=O)N4CCCC4C)S(=O)(=O)NC","InChI=1S/C22H25N5O3S/c1-14-11-18(31(29,30)23-3)8-9-19(14)25-22-24-13-17-7-6-16(12-20(17)26-22)21(28)27-10-4-5-15(27)2/h6-9,11-13,15,23H,4-5,10H2,1-3H3,(H,24,25,26)/t15-/m0/s1","","2022-10-13","2023-10-13","N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide","2023-10-18"],["WQL","(5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione","C18 H22 N2 O4","CC(C)C1(CC=C)C(=O)N(Cc2ccc(OC)cc2)C(=O)NC1=O;COc1ccc(CN2C(=O)NC(=O)[C](CC=C)(C(C)C)C2=O)cc1;CC(C)C1(C(=O)NC(=O)N(C1=O)Cc2ccc(cc2)OC)CC=C","InChI=1S/C18H22N2O4/c1-5-10-18(12(2)3)15(21)19-17(23)20(16(18)22)11-13-6-8-14(24-4)9-7-13/h5-9,12H,1,10-11H2,2-4H3,(H,19,21,23)/t18-/m0/s1","","2023-05-15","2023-06-09","(5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione","2023-06-14"],["WQM","(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide","C7 H8 N2 O2","N(C)C(=O)C1C=CC(N=C1)=O;CNC(=O)[CH]1C=CC(=O)N=C1;CNC(=O)C1C=CC(=O)N=C1","InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-5H,1H3,(H,8,11)/t5-/m0/s1","","2020-11-04","2021-01-08","(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide","2021-01-13"],["WQN","1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone","C14 H16 Br Cl N2 O4 S","ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(Br)cc3;c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)Br","InChI=1S/C14H16BrClN2O4S/c15-11-1-3-12(4-2-11)23(20,21)18-5-6-22-14(10-18)8-17(9-14)13(19)7-16/h1-4H,5-10H2","","2023-10-10","2025-03-14","1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone","2025-03-19"],["WQO","(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid","C17 H15 N O5","Nc1ccc(c(O)c1)C(=O)OC1c2ccccc2CC1C(=O)O;Nc1ccc(c(O)c1)C(=O)O[CH]2[CH](Cc3ccccc23)C(O)=O;c1ccc2c(c1)CC(C2OC(=O)c3ccc(cc3O)N)C(=O)O","InChI=1S/C17H15NO5/c18-10-5-6-12(14(19)8-10)17(22)23-15-11-4-2-1-3-9(11)7-13(15)16(20)21/h1-6,8,13,15,19H,7,18H2,(H,20,21)/t13-,15-/m0/s1","","2022-10-13","2022-11-04","(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid","2022-11-09"],["WQP","5-(ACETYLAMINO)-3,5-DIDEOXY-2-O-PHOSPHONO-D-ERYTHRO-L-MANNO-NONONIC ACID","C11 H22 N O12 P","O=P(O)(O)OC(C(=O)O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO;CC(=O)N[CH]([CH](O)C[CH](O[P](O)(O)=O)C(O)=O)[CH](O)[CH](O)[CH](O)CO;CC(=O)NC(C(CC(C(=O)O)OP(=O)(O)O)O)C(C(C(CO)O)O)O","InChI=1S/C11H22NO12P/c1-4(14)12-8(10(18)9(17)6(16)3-13)5(15)2-7(11(19)20)24-25(21,22)23/h5-10,13,15-18H,2-3H2,1H3,(H,12,14)(H,19,20)(H2,21,22,23)/t5-,6+,7+,8+,9+,10+/m0/s1","","2009-08-25","2011-06-04","5-(acetylamino)-3,5-dideoxy-2-O-phosphono-D-erythro-L-manno-nononic acid",""],["WQQ","1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE","C26 H24 Cl N3 O5 S","Cc1onc(C)c1C2=C(C)N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)[S](C)(=O)=O)c4cccc(Cl)c4;Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C","InChI=1S/C26H24ClN3O5S/c1-15-24(17(3)35-29-15)22-13-23(26(32)30(16(22)2)20-7-5-6-19(27)12-20)25(31)28-14-18-8-10-21(11-9-18)36(4,33)34/h5-13H,14H2,1-4H3,(H,28,31)","","2015-08-10","2015-08-14","1-(3-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide","2015-08-19"],["WQR","3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al","C30 H48 O2","C/C(C)=CCCC(C)C1CCC2(C=O)C=3CCC4C(C)(CCC(O)C4(C)C)C=3CCC12C;C[CH](CCC=C(C)C)[CH]1CC[C]2(C=O)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3;CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C=O","InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1","","2023-05-15","2024-01-12","3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al","2024-01-17"],["WQS","2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid","C10 H8 F N O3","OC(=O)C[CH]1C(=O)Nc2ccc(F)cc12;c1cc2c(cc1F)C(C(=O)N2)CC(=O)O","InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1","","2016-03-09","2016-03-18","2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid","2016-03-23"],["WQT","2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone","C14 H16 Cl I N2 O4 S","ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(I)cc3;c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)I","InChI=1S/C14H16ClIN2O4S/c15-7-13(19)17-8-14(9-17)10-18(5-6-22-14)23(20,21)12-3-1-11(16)2-4-12/h1-4H,5-10H2","","2023-10-10","2025-03-14","2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone","2025-03-19"],["WQU","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol","C24 H32 N4 O7","OCC1C(O)C(O)C(O)CN1Cc1cccc(c1)CNc1ccc(cc1[N+]([O-])=O)N1CCOCC1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1Cc2cccc(CNc3ccc(cc3[N+]([O-])=O)N4CCOCC4)c2;c1cc(cc(c1)CN2CC(C(C(C2CO)O)O)O)CNc3ccc(cc3[N+](=O)[O-])N4CCOCC4","InChI=1S/C24H32N4O7/c29-15-21-23(31)24(32)22(30)14-27(21)13-17-3-1-2-16(10-17)12-25-19-5-4-18(11-20(19)28(33)34)26-6-8-35-9-7-26/h1-5,10-11,21-25,29-32H,6-9,12-15H2/t21-,22+,23-,24-/m1/s1","","2022-10-14","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol","2023-02-22"],["WQV","N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide","C7 H7 Br N2 O2","N1C(=O)C(NC(=O)C)=CC(=C1)Br;CC(=O)NC1=CC(=CNC1=O)Br;CC(=O)NC1=CC(=CNC1=O)Br","InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)","","2020-11-04","2021-01-08","N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide","2021-01-13"],["WQW","3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline","C17 H24 Cl N5","Clc1cc2cc(ccc2nc1N3CC[NH2+]CC3)N4CC[NH2+]CC4;c1cc2c(cc1N3CC[NH2+]CC3)cc(c(n2)N4CC[NH2+]CC4)Cl","InChI=1S/C17H22ClN5/c18-15-12-13-11-14(22-7-3-19-4-8-22)1-2-16(13)21-17(15)23-9-5-20-6-10-23/h1-2,11-12,19-20H,3-10H2/p+2","","2023-05-17","2024-01-12","3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline","2024-01-17"],["WQX","1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone","C14 H15 Br Cl F N2 O4 S","Fc1cc(ccc1Br)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2;c1cc(c(cc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)F)Br","InChI=1S/C14H15BrClFN2O4S/c15-11-2-1-10(5-12(11)17)24(21,22)19-3-4-23-14(9-19)7-18(8-14)13(20)6-16/h1-2,5H,3-4,6-9H2","","2023-10-10","2025-04-18","1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone","2025-04-23"],["WQY","1-(quinolin-3-yl)methanamine","C10 H10 N2","n2c1ccccc1cc(CN)c2;NCc1cnc2ccccc2c1;c1ccc2c(c1)cc(cn2)CN","InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2","","2020-11-04","2021-01-08","1-(quinolin-3-yl)methanamine","2021-01-13"],["WQZ","(3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile","C25 H29 N3 O6","OCC1C(O)C(O)C(O)CN1Cc1cccc(c1)CNc1cc(cc(C#N)c1)C1=COCCO1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1Cc2cccc(CNc3cc(cc(c3)C4=COCCO4)C#N)c2;c1cc(cc(c1)CN2CC(C(C(C2CO)O)O)O)CNc3cc(cc(c3)C4=COCCO4)C#N","InChI=1S/C25H29N3O6/c26-10-18-7-19(23-15-33-4-5-34-23)9-20(8-18)27-11-16-2-1-3-17(6-16)12-28-13-22(30)25(32)24(31)21(28)14-29/h1-3,6-9,15,21-22,24-25,27,29-32H,4-5,11-14H2/t21-,22+,24-,25-/m1/s1","","2022-10-14","2023-02-17","(3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile","2023-02-22"],["WR1","NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE","C22 H26 N2 O5","O=C(CCO)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C;C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)CCO;CC(C(=O)CCO)NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2","InChI=1S/C22H26N2O5/c1-16(20(26)12-13-25)23-21(27)19(14-17-8-4-2-5-9-17)24-22(28)29-15-18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3,(H,23,27)(H,24,28)/t16-,19+/m1/s1","","2007-01-29","2011-06-04","Nalpha-[(benzyloxy)carbonyl]-N-[(1R)-4-hydroxy-1-methyl-2-oxobutyl]-L-phenylalaninamide",""],["WR2","(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE","C20 H33 N5 O5 S","O=C(NCC(C(=O)NO)C(C(=O)NC(C(=O)NC)C(C)(C)C)CC(C)C)c1nccs1;CNC(=O)[CH](NC(=O)[CH](CC(C)C)[CH](CNC(=O)c1sccn1)C(=O)NO)C(C)(C)C;CC(C)CC(C(CNC(=O)c1nccs1)C(=O)NO)C(=O)NC(C(=O)NC)C(C)(C)C","InChI=1S/C20H33N5O5S/c1-11(2)9-12(15(26)24-14(17(28)21-6)20(3,4)5)13(16(27)25-30)10-23-18(29)19-22-7-8-31-19/h7-8,11-14,30H,9-10H2,1-6H3,(H,21,28)(H,23,29)(H,24,26)(H,25,27)/t12-,13+,14-/m1/s1","","2008-10-14","2011-06-04","(2R,3R)-N~1~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide",""],["WR6","[(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate","C40 H79 O10 P","CCCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO;CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC(CO)O","InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38-/m1/s1","","2023-05-17","2024-01-12","[(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate","2024-01-17"],["WR7","2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate","C13 H14 Cl3 N7 O4","ClC(Cl)(Cl)C(Nc1ncccn1)NC(=O)OCCn2c(cnc2C)[N+]([O-])=O;Cc1ncc(n1CCOC(=O)N[CH](Nc2ncccn2)C(Cl)(Cl)Cl)[N+]([O-])=O;Cc1ncc(n1CCOC(=O)NC(C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-]","InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)/t10-/m1/s1","apcin","2013-10-22","2021-03-01","2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate","2014-08-20"],["WR8","N-methyl-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-amine","C17 H21 N7 S","CNc1nc2sc3c(nnnc3c2c2CCCCc12)N1CCNCC1;CNc1nc2sc3c(nnnc3c2c4CCCCc14)N5CCNCC5;CNc1c2c(c3c4c(c(nnn4)N5CCNCC5)sc3n1)CCCC2","InChI=1S/C17H21N7S/c1-18-15-11-5-3-2-4-10(11)12-13-14(25-17(12)20-15)16(22-23-21-13)24-8-6-19-7-9-24/h19H,2-9H2,1H3,(H,18,20)","","2023-10-10","2024-07-19","N-methyl-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-amine","2024-07-24"],["WR9","N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide","C24 H31 N3 O4","O=C(NC(C=C)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCC2CC2)cc1;NC(=O)C[CH](NC(=O)[CH]1CCCN1C(=O)C2(CC2)c3ccc(OCC4CC4)cc3)C=C;C=CC(CC(=O)N)NC(=O)C1CCCN1C(=O)C2(CC2)c3ccc(cc3)OCC4CC4","InChI=1S/C24H31N3O4/c1-2-18(14-21(25)28)26-22(29)20-4-3-13-27(20)23(30)24(11-12-24)17-7-9-19(10-8-17)31-15-16-5-6-16/h2,7-10,16,18,20H,1,3-6,11-15H2,(H2,25,28)(H,26,29)/t18-,20+/m1/s1","","2022-10-14","2024-09-27","N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide","2023-10-11"],["WRA","6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE","C14 H18 Cl3 N5 O2","Clc2cc(OCCCON1C(=NC(=NC1(C)C)N)N)c(Cl)cc2Cl;CC1(C)N=C(N)N=C(N)N1OCCCOc2cc(Cl)c(Cl)cc2Cl;CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C","InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)","4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-[(2,4,5-TRICHLOROPHENOXY)PROPYLOXY]-1,3,5-TRIAZINE","2003-02-07","2020-06-17","6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine",""],["WRB","1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE","C14 H20 Br N5 O2","Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2;CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(Br)cc2;CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C","InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)","BROMO-WR99210","1999-11-29","2020-06-17","1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine",""],["WRC","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide","C20 H21 F3 N2 O3","Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CC(C)(C)C)C(=O)NO;CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2;CC(C)(C)CC(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO","InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1","","2023-05-17","2024-04-19","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide","2024-04-24"],["WRD","(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol","C10 H13 N O","NC2CCCc1c(cccc12)O;N[CH]1CCCc2c(O)cccc12;c1cc2c(c(c1)O)CCCC2N","InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1","","2020-11-04","2021-01-08","(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol","2021-01-13"],["WRE","2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one","C18 H22 F3 N7 O","O=C(Cn1cc(cn1)c1cc(nc(n1)N1CCC1C)C(F)(F)F)N1CCNCC1;C[CH]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(CC(=O)N4CCNCC4)c3;CC1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(c3)CC(=O)N4CCNCC4","InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1","","2023-10-10","2023-12-01","2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one","2023-12-06"],["WRF","1-methyl-4-phenylpyridin-1-ium","C12 H12 N","C[n+]1ccc(cc1)c1ccccc1;C[n+]1ccc(cc1)c2ccccc2;C[n+]1ccc(cc1)c2ccccc2","InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1","","2022-10-17","2023-05-26","1-methyl-4-phenylpyridin-1-ium","2023-05-31"],["WRG","(2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid","C20 H30 N6 O5","O=C(NC)NC(=[N@H])NCCCC(NC(=O)C)C(=O)N(C(C(=O)O)Cc1ccccc1)C;CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)N(C)[CH](Cc1ccccc1)C(O)=O;CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)N(C)C(Cc1ccccc1)C(=O)O","InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1","","2008-03-11","2012-01-05","N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanine",""],["WRH","methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate","C19 H33 N3 O6","CCCNC(=O)[CH](O)CC(=O)N[CH]([CH](C)CC)C(=O)N1CCC[CH]1C(=O)OC;CCCNC(=O)C(CC(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)OC)O","InChI=1S/C19H33N3O6/c1-5-9-20-17(25)14(23)11-15(24)21-16(12(3)6-2)18(26)22-10-7-8-13(22)19(27)28-4/h12-14,16,23H,5-11H2,1-4H3,(H,20,25)(H,21,24)/t12-,13-,14-,16-/m0/s1","CA-074 methyl ester (bound)","2023-05-17","2024-09-27","methyl (2~{S})-1-[(2~{S},3~{S})-3-methyl-2-[[(3~{S})-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate","2023-07-05"],["WRI","(7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine","C21 H23 N3","NC1CCCCc2ccc(cc21)c1cc2nc(N)cc(C)c2cc1;Cc1cc(N)nc2cc(ccc12)c3ccc4CCCC[CH](N)c4c3;Cc1cc(nc2c1ccc(c2)c3ccc4c(c3)C(CCCC4)N)N","InChI=1S/C21H23N3/c1-13-10-21(23)24-20-12-16(8-9-17(13)20)15-7-6-14-4-2-3-5-19(22)18(14)11-15/h6-12,19H,2-5,22H2,1H3,(H2,23,24)/t19-/m0/s1","","2023-10-10","2024-03-08","(7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine","2024-03-13"],["WRJ","2H-1-benzopyran-3-carboxamide","C10 H9 N O2","c1cccc2c1C=C(C(=O)N)CO2;NC(=O)C1=Cc2ccccc2OC1;c1ccc2c(c1)C=C(CO2)C(=O)N","InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)","","2020-11-04","2021-01-08","2H-1-benzopyran-3-carboxamide","2021-01-13"],["WRK","[2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+)","C43 H41 Fe N4 O5","O=C(O)CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5C(C=C)=C(C)C=6C=C7C(C)=C(CCC(=O)O)C(=CC1=[N+]2CC(=O)Cc1ccccc1)N7[Fe](n43)N5=6;CC1=C(CCC(O)=O)C2=CC3=[N+](CC(=O)Cc4ccccc4)C(=Cc5n6[Fe][N]2C1=CC7=NC(=Cc6c(C)c5C=C)C(=C7C)C=C)C(=C3CCC(O)=O)C;Cc1c2n3c(c1C=C)C=C4C(=C(C(=[N+]4CC(=O)Cc5ccccc5)C=C6C(=C(C7=CC8=[N]([Fe]3N76)C(=C2)C(=C8C)C=C)C)CCC(=O)O)CCC(=O)O)C","InChI=1S/C43H42N4O5.Fe/c1-7-30-24(3)34-19-35-26(5)32(14-16-42(49)50)39(46-35)22-41-33(15-17-43(51)52)27(6)40(47(41)23-29(48)18-28-12-10-9-11-13-28)21-38-31(8-2)25(4)36(45-38)20-37(30)44-34;/h7-13,19-22H,1-2,14-18,23H2,3-6H3,(H3,44,45,46,49,50,51,52);/q;+2/p-1/b34-19-,35-19-,36-20-,37-20-,38-21-,39-22-,40-21-,41-22-;","","2022-10-27","2023-12-01","[2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(1+)","2023-12-06"],["WRL","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","C22 H25 Cl2 N3 O4 S","C[CH](N1C[CH](CO)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O)c4ccccn4;CC(c1ccccn1)N2CC(C3CCCC(C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO","InChI=1S/C22H25Cl2N3O4S/c1-14(19-5-2-3-8-25-19)26-12-15(13-28)20-6-4-7-21(22(26)29)27(20)32(30,31)18-10-16(23)9-17(24)11-18/h2-3,5,8-11,14-15,20-21,28H,4,6-7,12-13H2,1H3/t14-,15+,20+,21-/m0/s1","","2023-05-17","2023-09-01","(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one","2023-09-06"],["WRM","2-(1H-benzimidazol-1-yl)-N-methylacetamide","C10 H11 N3 O","n1(CC(=O)NC)cnc2ccccc12;CNC(=O)Cn1cnc2ccccc12;CNC(=O)Cn1cnc2c1cccc2","InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)","","2020-11-04","2021-01-08","2-(1H-benzimidazol-1-yl)-N-methylacetamide","2021-01-13"],["WRN","8-hydroxyquinoline-2-carbonitrile","C10 H6 N2 O","Oc1cccc2ccc(C#N)nc12;Oc1cccc2ccc(nc12)C#N;c1cc2ccc(nc2c(c1)O)C#N","InChI=1S/C10H6N2O/c11-6-8-5-4-7-2-1-3-9(13)10(7)12-8/h1-5,13H","","2023-10-10","2024-01-05","8-hydroxyquinoline-2-carbonitrile","2024-01-10"],["WRO","2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","C14 H11 F3 N2 O4","O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(c2)C(F)(F)F;OC(=O)C1=C(CCc2cccc(c2)C(F)(F)F)C(=O)NC(=O)N1;c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O","InChI=1S/C14H11F3N2O4/c15-14(16,17)8-3-1-2-7(6-8)4-5-9-10(12(21)22)18-13(23)19-11(9)20/h1-3,6H,4-5H2,(H,21,22)(H2,18,19,20,23)","","2012-11-27","2013-11-22","2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","2013-11-27"],["WRP","(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan","C16 H22 N2 O4","O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C;C[CH](O)C(C)(C)n1cc([CH](O)[CH](N)C(O)=O)c2ccccc12;CC(C(C)(C)n1cc(c2c1cccc2)C(C(C(=O)O)N)O)O","InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1","","2013-06-20","2024-09-27","(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan","2013-09-18"],["WRQ","N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide","C9 H15 N5 O7 S2","O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O;COc1cc(OC)nc(NC(=O)N[S](=O)(=O)N(C)[S](C)(=O)=O)n1;CN(S(=O)(=O)C)S(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC","InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)","","2022-10-17","2023-03-24","N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide","2023-03-29"],["WRR","4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE","C19 H18 O4","O=C2Oc1ccccc1C(O)=C2C(c3ccccc3)CC(O)C;C[CH](O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O;CC(CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O)O","InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m0/s1","WARFARIN R-(+)","2001-03-27","2011-11-03","4-hydroxy-3-[(1R,3S)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-one",""],["WRS","4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE","C19 H18 O4","O=C2Oc1ccccc1C(O)=C2C(c3ccccc3)CC(O)C;C[CH](O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O;CC(CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O)O","InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m1/s1","WARFARIN S-(-)","2001-03-28","2011-11-03","4-hydroxy-3-[(1S,3R)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-one",""],["WRT","TbXo4-OH","C23 H29 N5 O5 Tb","OCCCN1CCN2CCN(CC1)Cc3cccc4C(=O)O[Tb+3]5(OC(=O)c6cccc(C2)[n+]56)[n+]34;c1cc2[n+]3c(c1)C(=O)O[Tb+3]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[N+]6(C2)CC[N+]7(CC9)CCCO","InChI=1S/C23H31N5O5.Tb/c29-15-3-8-26-9-11-27(16-18-4-1-6-20(24-18)22(30)31)13-14-28(12-10-26)17-19-5-2-7-21(25-19)23(32)33;/h1-2,4-7,29H,3,8-17H2,(H,30,31)(H,32,33);/q;+10/p-2","","2023-05-17","2024-05-31","","2024-06-05"],["WRU","Mianserin","C18 H20 N2","CN1CC2N(CC1)c1ccccc1Cc1ccccc21;CN1CCN2[CH](C1)c3ccccc3Cc4ccccc24;CN1CCN2c3ccccc3Cc4ccccc4C2C1","InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1","","2023-10-10","2024-04-26","(5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine","2024-05-01"],["WRV","N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea","C11 H15 F N2 O2","N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O;C[CH](CO)NC(=O)Nc1ccc(C)c(F)c1;Cc1ccc(cc1F)NC(=O)NC(C)CO","InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1","","2020-11-04","2021-01-08","N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea","2021-01-13"],["WRW","4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid","C27 H18 O6","OC(=O)c1ccc(cc1)c2cc(cc(c2)c3ccc(cc3)C(O)=O)c4ccc(cc4)C(O)=O;c1cc(ccc1c2cc(cc(c2)c3ccc(cc3)C(=O)O)c4ccc(cc4)C(=O)O)C(=O)O","InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)","1,3,5-Tris(4-carboxyphenyl)benzene","2023-10-16","2023-12-01","4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid","2023-12-06"],["WRX","(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide","C28 H30 F2 N4 O4 S","Fc1ccc(C[CH](NC(=O)[CH]2CCCCN2[S](=O)(=O)Cc3ccc(F)cc3)C(=O)NCc4cccnc4)cc1;c1cc(cnc1)CNC(=O)C(Cc2ccc(cc2)F)NC(=O)C3CCCCN3S(=O)(=O)Cc4ccc(cc4)F","InChI=1S/C28H30F2N4O4S/c29-23-10-6-20(7-11-23)16-25(27(35)32-18-22-4-3-14-31-17-22)33-28(36)26-5-1-2-15-34(26)39(37,38)19-21-8-12-24(30)13-9-21/h3-4,6-14,17,25-26H,1-2,5,15-16,18-19H2,(H,32,35)(H,33,36)/t25-,26-/m0/s1","","2023-05-17","2024-06-07","(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide","2024-06-12"],["WRY","7-fluoro-N,2-dimethylquinoline-3-carboxamide","C12 H11 F N2 O","N(C)C(=O)c2cc1ccc(F)cc1nc2C;CNC(=O)c1cc2ccc(F)cc2nc1C;Cc1c(cc2ccc(cc2n1)F)C(=O)NC","InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)","","2020-11-04","2021-01-08","7-fluoro-N,2-dimethylquinoline-3-carboxamide","2021-01-13"],["WRZ","N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide","C17 H16 Cl2 N2 O2","Clc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)CC)cc1;CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl;CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl","InChI=1S/C17H16Cl2N2O2/c1-2-16(22)21-14-7-4-11(5-8-14)17(23)20-10-12-3-6-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)","","2023-10-10","2024-09-27","N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide","2024-06-26"],["WS0","{(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid","C22 H26 N4 O3","O=C(O)CC1CCC(CC1)c1ccc(cc1)C1=Nc2c(ncnc2N)OC1(C)C;CC1(C)Oc2ncnc(N)c2N=C1c3ccc(cc3)[CH]4CC[CH](CC4)CC(O)=O;CC1(C(=Nc2c(ncnc2O1)N)c3ccc(cc3)C4CCC(CC4)CC(=O)O)C","InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-","","2022-10-17","2023-06-02","{(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid","2023-06-07"],["WS1","6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide","C22 H28 N4 O12","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO;OC[CH]1O[CH](OCc2cccc(n2)C(=O)NC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH](O)[CH](O)[CH]1O;c1cc(nc(c1)C(=O)NCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)COC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12+,14-,15-,16-,17-,18-,20-,21-/m1/s1","","2013-04-29","2015-02-25","5'-deoxy-5'-[({6-[(alpha-L-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine","2013-09-11"],["WS2","6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide","C22 H28 N4 O12","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO;OC[CH]1O[CH](OCc2cccc(n2)C(=O)NC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH](O)[CH](O)[CH]1O;c1cc(nc(c1)C(=O)NCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)COC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12-,14-,15+,16+,17-,18+,20-,21-/m1/s1","","2013-08-16","2015-02-25","5'-deoxy-5'-[({6-[(beta-D-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine","2013-09-11"],["WS3","5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine","C22 H28 N4 O12","O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO;OC[CH]1O[CH](OCc2cccc(n2)C(=O)NC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O)[CH](O)[CH](O)[CH]1O;c1cc(nc(c1)C(=O)NCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)COC4C(C(C(C(O4)CO)O)O)O","InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12-,14-,15+,16+,17-,18-,20-,21+/m1/s1","","2013-08-15","2013-09-06","5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine","2013-09-11"],["WS4","N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide","C11 H11 N3 O2","n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C;Cn1cc(cn1)C(=O)Nc2ccc(O)cc2;Cn1cc(cn1)C(=O)Nc2ccc(cc2)O","InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)","","2020-11-04","2021-01-08","N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide","2021-01-13"],["WS5","(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide","C25 H33 F N4 O4 S","CC(C)C[CH](NC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccc(F)cc2)C(=O)NCc3cccnc3;CC(C)CC(C(=O)NCc1cccnc1)NC(=O)C2CCCCN2S(=O)(=O)Cc3ccc(cc3)F","InChI=1S/C25H33FN4O4S/c1-18(2)14-22(24(31)28-16-20-6-5-12-27-15-20)29-25(32)23-7-3-4-13-30(23)35(33,34)17-19-8-10-21(26)11-9-19/h5-6,8-12,15,18,22-23H,3-4,7,13-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23-/m0/s1","","2023-05-17","2024-06-07","(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide","2024-06-12"],["WS6","(9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione","C11 H13 N5 O2","O=C2C=3N=C1C(=O)CCCC1(NC=3N=C(N)N2)C;C[C]12CCCC(=O)C1=NC3=C(N2)N=C(N)NC3=O;CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N","InChI=1S/C11H13N5O2/c1-11-4-2-3-5(17)7(11)13-6-8(16-11)14-10(12)15-9(6)18/h2-4H2,1H3,(H4,12,14,15,16,18)/t11-/m0/s1","","2014-03-20","2014-05-23","(9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione","2014-05-28"],["WS7","(9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one","C11 H15 N5 O","O=C2C=3N=C1CCCCC1(NC=3N=C(N)N2)C;C[C]12CCCCC1=NC3=C(N2)N=C(N)NC3=O;CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N","InChI=1S/C11H15N5O/c1-11-5-3-2-4-6(11)13-7-8(16-11)14-10(12)15-9(7)17/h2-5H2,1H3,(H4,12,14,15,16,17)/t11-/m0/s1","","2014-03-20","2014-05-23","(9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one","2014-05-28"],["WS8","(3,5-dimethoxyphenyl)boronic acid","C8 H11 B O4","COc1cc(cc(OC)c1)B(O)O;COc1cc(OC)cc(c1)B(O)O;B(c1cc(cc(c1)OC)OC)(O)O","InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3","","2023-10-11","2024-10-18","(3,5-dimethoxyphenyl)boronic acid","2024-10-23"],["WS9","N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide","C24 H25 F3 N4 O5","FC(F)(F)Oc1ccc(cc1)C1(CC1)C(=O)N1CCCC1C(=O)NC(/C=C/c1ncco1)CC(N)=O;NC(=O)C[CH](NC(=O)[CH]1CCCN1C(=O)C2(CC2)c3ccc(OC(F)(F)F)cc3)C=Cc4occn4;c1cc(ccc1C2(CC2)C(=O)N3CCCC3C(=O)NC(CC(=O)N)C=Cc4ncco4)OC(F)(F)F","InChI=1S/C24H25F3N4O5/c25-24(26,27)36-17-6-3-15(4-7-17)23(9-10-23)22(34)31-12-1-2-18(31)21(33)30-16(14-19(28)32)5-8-20-29-11-13-35-20/h3-8,11,13,16,18H,1-2,9-10,12,14H2,(H2,28,32)(H,30,33)","","2022-10-17","2024-09-27","N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide","2023-10-11"],["WSA","5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE","C21 H24 N8 O7 S","O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc5c4ccccc4nc5;N[CH](Cc1c[nH]c2ccccc12)C(=O)N[S](=O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45;c1ccc2c(c1)c(c[nH]2)CC(C(=O)NS(=O)(=O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N","InChI=1S/C21H24N8O7S/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)20(32)28-37(33,34)35-7-14-16(30)17(31)21(36-14)29-9-27-15-18(23)25-8-26-19(15)29/h1-4,6,8-9,12,14,16-17,21,24,30-31H,5,7,22H2,(H,28,32)(H2,23,25,26)/t12-,14+,16+,17+,21+/m0/s1","","2007-07-12","2011-06-04","5'-O-(L-tryptophylsulfamoyl)adenosine",""],["WSB","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine","C10 H17 N2 O14 P3","O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O;O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O;C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O","InChI=1S/C10H17N2O14P3/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H,11,13,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1","","2023-05-17","2023-11-17","5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine","2023-11-22"],["WSD","6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one","C10 H13 N5 O2","O=C2NC(=NC1=C2N=C(C(=O)C)C(N1)(C)C)N;CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O;CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N","InChI=1S/C10H13N5O2/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7/h1-3H3,(H4,11,13,14,15,17)","","2014-03-20","2014-05-23","6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one","2014-05-28"],["WSF","(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate","C26 H51 O8 P","O=C(OC(COP(O)(=O)OCCC(C)C)COC(=O)CCCCCCCCC)CCCCCCC;CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCC(C)C)OC(=O)CCCCCCC;CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCC(C)C)OC(=O)CCCCCCC","InChI=1S/C26H51O8P/c1-5-7-9-11-12-14-15-17-25(27)31-21-24(34-26(28)18-16-13-10-8-6-2)22-33-35(29,30)32-20-19-23(3)4/h23-24H,5-22H2,1-4H3,(H,29,30)/t24-/m1/s1","","2022-10-17","2023-03-24","(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate","2023-03-29"],["WSG","N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide","C12 H12 F N3 O","n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2;CCn1cc(NC(=O)c2ccc(F)cc2)cn1;CCn1cc(cn1)NC(=O)c2ccc(cc2)F","InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)","","2020-11-04","2021-01-08","N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide","2021-01-13"],["WSH","BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE","C25 H21 N5 O2","O=C(OCc1ccccc1)NC4N=C(c2ccccc2n3c4nnc3C)c5ccccc5;Cc1nnc2[CH](NC(=O)OCc3ccccc3)N=C(c4ccccc4)c5ccccc5n12;Cc1nnc2n1-c3ccccc3C(=NC2NC(=O)OCc4ccccc4)c5ccccc5","InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1","","2011-03-24","2011-06-10","benzyl [(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate",""],["WSI","2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid","C20 H15 Cl N2 O5 S","OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3;c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)Cl","InChI=1S/C20H15ClN2O5S/c21-14-8-10-15(11-9-14)22-19(24)13-4-3-5-16(12-13)29(27,28)23-18-7-2-1-6-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26)","","2023-05-17","2024-03-01","2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid","2024-03-06"],["WSJ","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide","C12 H15 N3 O3 S","N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C;CN1N(C(=O)C(=C1C)N[S](C)(=O)=O)c2ccccc2;CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C","InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3","","2020-11-04","2021-01-08","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide","2021-01-13"],["WSK","(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL","C17 H18 Br2 N2 O","Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C;CN(C)C[CH](O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13;CN(C)CC(Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O","InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1","(S)-WISKOSTATIN","2004-06-01","2021-03-01","(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol",""],["WSL","(2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol","C15 H14 Cl F N6 O2","N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2;c1cc(ccc1c2nnn(n2)CC(CO)N)Oc3c(cc(cn3)Cl)F","InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m0/s1","","2023-10-11","2023-12-01","(2~{S})-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol","2023-12-06"],["WSM","4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one","C11 H14 N2 O2","NCCCN2c1c(cccc1)OCC2=O;NCCCN1C(=O)COc2ccccc12;c1ccc2c(c1)N(C(=O)CO2)CCCN","InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2","","2020-11-04","2021-01-08","4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one","2021-01-13"],["WSN","N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide","C26 H28 F2 N4 O4","O=C(NC(C=N)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCc2ccc(F)cc2F)cc1;NC(=O)C[CH](NC(=O)[CH]1CCCN1C(=O)C2(CC2)c3ccc(OCc4ccc(F)cc4F)cc3)C=N;c1cc(ccc1C2(CC2)C(=O)N3CCCC3C(=O)NC(CC(=O)N)C=N)OCc4ccc(cc4F)F","InChI=1S/C26H28F2N4O4/c27-18-6-3-16(21(28)12-18)15-36-20-7-4-17(5-8-20)26(9-10-26)25(35)32-11-1-2-22(32)24(34)31-19(14-29)13-23(30)33/h3-8,12,14,19,22,29H,1-2,9-11,13,15H2,(H2,30,33)(H,31,34)/b29-14-/t19-,22-/m0/s1","","2022-10-17","2023-10-06","N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide","2023-10-11"],["WSO","(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","C27 H36 N4 O3","CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)ccc3OC)c2C)c(OC(C)CCC)cc1;CCC[CH](C)Oc1ccc(cc1NC(=O)c2nnn(c2C)c3cc(C)ccc3OC)C(C)(C)C;CCCC(C)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(ccc3OC)C)C)C(C)(C)C","InChI=1S/C27H36N4O3/c1-9-10-18(3)34-23-14-12-20(27(5,6)7)16-21(23)28-26(32)25-19(4)31(30-29-25)22-15-17(2)11-13-24(22)33-8/h11-16,18H,9-10H2,1-8H3,(H,28,32)/t18-/m0/s1","","2023-05-17","2024-05-10","(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","2024-05-15"],["WSP","Spiroimine (-)-4 S","C13 H21 N O2","CC1=NCCC[C]12CCCCC23OCCO3;CC1=NCCCC12CCCCC23OCCO3","InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1","(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene; (S)-(-)-Spiroimine","2023-10-11","2024-03-29","(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene","2024-04-03"],["WSQ","OCTAMOLYBDATE","Mo8 O28","O=[Mo]1234O[Mo]56(=O)(=O)O[Mo]78(=O)(=O)O[Mo](=O)(=O)(=O)([O+]1[Mo]9%10(=O)(=O)O[Mo]%11%12(=O)([O+]5[Mo]%13(=O)(=O)(=O)O[Mo](=O)(=O)(O9)([O+]%11%13)[O++]2%10%12)[O++]367)[O+]48;O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9","InChI=1S/8Mo.28O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1;2*+2","","2013-06-27","2014-12-17","","2014-02-12"],["WSR","(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)","C25 H41 F O5 S","FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O;C[CH](CCC(=O)CF)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](O)(=O)=O;CC(CCC(=O)CF)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C","InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1","","2022-10-17","2024-09-27","(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)","2023-11-01"],["WSS","tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium","C44 H85 N O8 P","C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O;CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1","","2020-11-04","2020-11-06","(4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium","2020-11-11"],["WST","(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL","C18 H18 O3","Oc1ccc(cc1)C4Oc2c(c(O)ccc2)C3CCCC34;Oc1ccc(cc1)[CH]2Oc3cccc(O)c3[CH]4CCC[CH]24;c1cc(c2c(c1)OC(C3C2CCC3)c4ccc(cc4)O)O","InChI=1S/C18H18O3/c19-12-9-7-11(8-10-12)18-14-4-1-3-13(14)17-15(20)5-2-6-16(17)21-18/h2,5-10,13-14,18-20H,1,3-4H2/t13-,14+,18+/m1/s1","","2007-05-14","2011-06-04","(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol",""],["WSV","2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide","C23 H23 N5 O4","COc1cc(Nc2oc(cn2)c3ccccc3CN(C)C(=O)CN)ccc1c4ocnc4;CN(Cc1ccccc1c2cnc(o2)Nc3ccc(c(c3)OC)c4cnco4)C(=O)CN","InChI=1S/C23H23N5O4/c1-28(22(29)10-24)13-15-5-3-4-6-17(15)21-12-26-23(32-21)27-16-7-8-18(19(9-16)30-2)20-11-25-14-31-20/h3-9,11-12,14H,10,13,24H2,1-2H3,(H,26,27)","","2023-10-11","2024-10-11","2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide","2024-10-16"],["WSW","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol","C25 H30 N4 O6 S","CS(=O)(=O)c1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1cccnn1;C[S](=O)(=O)c1cc(NCc2cccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)c2)cc(c1)c4cccnn4;CS(=O)(=O)c1cc(cc(c1)NCc2cccc(c2)CN3CC(C(C(C3CO)O)O)O)c4cccnn4","InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-6-3-7-27-28-21)9-19(11-20)26-12-16-4-2-5-17(8-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1","","2022-10-17","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol","2023-02-22"],["WSX","(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","C28 H38 N4 O4","CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1;CCC[CH](CC)Oc1ccc(cc1NC(=O)c2nnn(c2C)c3cc(OC)ccc3OC)C(C)(C)C;CCCC(CC)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(ccc3OC)OC)C)C(C)(C)C","InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m0/s1","","2023-05-17","2024-05-10","(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","2024-05-15"],["WSY","3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid","C7 H11 N3 O2","n1(CCC(=O)O)c(C)nc(n1)C;Cc1nn(CCC(O)=O)c(C)n1;Cc1nc(n(n1)CCC(=O)O)C","InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)","","2020-11-05","2021-01-08","3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid","2021-01-13"],["WT0","(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","C21 H27 Br N2 O6 S","CS(=O)(=O)c1cc(cc(Br)c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1;C[S](=O)(=O)c1cc(Br)cc(NCc2cccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)c2)c1;CS(=O)(=O)c1cc(cc(c1)Br)NCc2cccc(c2)CN3CC(C(C(C3CO)O)O)O","InChI=1S/C21H27BrN2O6S/c1-31(29,30)17-7-15(22)6-16(8-17)23-9-13-3-2-4-14(5-13)10-24-11-19(26)21(28)20(27)18(24)12-25/h2-8,18-21,23,25-28H,9-12H2,1H3/t18-,19+,20-,21-/m1/s1","","2022-10-17","2023-02-17","(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["WT1","(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide","C29 H40 N4 O5","CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(OC)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1;CCC[CH](CC)Oc1ccc(cc1NC(=O)c2nnn(c2C)c3cc(OC)c(OC)cc3OC)C(C)(C)C;CCCC(CC)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(c(cc3OC)OC)OC)C)C(C)(C)C","InChI=1S/C29H40N4O5/c1-10-12-20(11-2)38-23-14-13-19(29(4,5)6)15-21(23)30-28(34)27-18(3)33(32-31-27)22-16-25(36-8)26(37-9)17-24(22)35-7/h13-17,20H,10-12H2,1-9H3,(H,30,34)/t20-/m0/s1","","2023-05-17","2024-05-10","(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide","2024-05-15"],["WT2","(S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID","C7 H13 N3 O3","O=C(O)C(N)CCCNC(=[N@H])C=O;N[CH](CCCNC(=N)C=O)C(O)=O;C(CC(C(=O)O)N)CNC(=N)C=O","InChI=1S/C7H13N3O3/c8-5(7(12)13)2-1-3-10-6(9)4-11/h4-5H,1-3,8H2,(H2,9,10)(H,12,13)/t5-/m0/s1","","2015-02-02","2015-04-24","N~5~-[(1Z)-2-oxoethanimidoyl]-L-ornithine","2015-04-29"],["WT3","6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide","C20 H20 F N5 O3 S","COc1cc(ccc1F)c2cnc3Nc4cccc(c4)[S](=O)(=O)NCCCNc2n3;COc1cc(ccc1F)c2cnc3nc2NCCCNS(=O)(=O)c4cccc(c4)N3","InChI=1S/C20H20FN5O3S/c1-29-18-10-13(6-7-17(18)21)16-12-23-20-25-14-4-2-5-15(11-14)30(27,28)24-9-3-8-22-19(16)26-20/h2,4-7,10-12,24H,3,8-9H2,1H3,(H2,22,23,25,26)","","2023-10-11","2023-11-17","6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide","2023-11-22"],["WT4","N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine","C14 H25 N3 O6 S2","O=C(NC(C(=O)O)CSC)C(NC(=O)CCCC(C(=O)O)N)CCS;CSC[CH](NC(=O)[CH](CCS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O;CSCC(C(=O)O)NC(=O)C(CCS)NC(=O)CCCC(C(=O)O)N","InChI=1S/C14H25N3O6S2/c1-25-7-10(14(22)23)17-12(19)9(5-6-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,10+/m0/s1","","2013-01-25","2013-03-15","N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine","2013-03-20"],["WT5","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol","C24 H30 N4 O4","Cc1cc(cc(c1)c1ccc[NH]1)NCc1nc(CN2CC(O)C(O)C(O)C2CO)ccc1;Cc1cc(NCc2cccc(CN3C[CH](O)[CH](O)[CH](O)[CH]3CO)n2)cc(c1)c4[nH]ccc4;Cc1cc(cc(c1)NCc2cccc(n2)CN3CC(C(C(C3CO)O)O)O)c4ccc[nH]4","InChI=1S/C24H30N4O4/c1-15-8-16(20-6-3-7-25-20)10-19(9-15)26-11-17-4-2-5-18(27-17)12-28-13-22(30)24(32)23(31)21(28)14-29/h2-10,21-26,29-32H,11-14H2,1H3/t21-,22+,23-,24-/m1/s1","","2022-10-18","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol","2023-02-22"],["WT6","~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide","C13 H16 N2 O3 S","C=CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2;C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2","InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16)","","2023-05-18","2024-11-15","~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide","2024-11-20"],["WT7","5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine","C14 H22 N5 O7 P","C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O;CCCCO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCCCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1","","2020-11-06","2020-12-18","5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine","2020-12-23"],["WT8"," 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci","C13 H23 N3 O7","C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=N)C(O)=O;CC(C(C1C(C(CC(O1)(C(=O)O)O)O)NC(=N)C)NC(=O)C)O","InChI=1S/C13H23N3O7/c1-5(17)9(16-7(3)18)11-10(15-6(2)14)8(19)4-13(22,23-11)12(20)21/h5,8-11,17,19,22H,4H2,1-3H3,(H2,14,15)(H,16,18)(H,20,21)/t5-,8-,9-,10-,11-,13+/m0/s1","","2023-10-12","2024-10-11","6-(1-acetamido-2-oxidanyl-propyl)-5-(ethanimidoylamino)-2,4-bis(oxidanyl)oxane-2-carboxylic acid","2024-10-16"],["WTA","5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine","C12 H18 N5 O7 P","C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3;CCO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;CCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O","InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1","","2020-11-06","2020-12-11","5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine","2020-12-16"],["WTB","(2~{S})-~{N}-(3-methoxyphenyl)-1-[4-(prop-2-enoylamino)phenyl]sulfonyl-pyrrolidine-2-carboxamide","C21 H23 N3 O5 S","COc1cccc(NC(=O)[CH]2CCCN2[S](=O)(=O)c3ccc(NC(=O)C=C)cc3)c1;COc1cccc(c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)NC(=O)C=C","InChI=1S/C21H23N3O5S/c1-3-20(25)22-15-9-11-18(12-10-15)30(27,28)24-13-5-8-19(24)21(26)23-16-6-4-7-17(14-16)29-2/h3-4,6-7,9-12,14,19H,1,5,8,13H2,2H3,(H,22,25)(H,23,26)/t19-/m0/s1","","2023-05-18","2024-11-15","(2~{S})-~{N}-(3-methoxyphenyl)-1-[4-(prop-2-enoylamino)phenyl]sulfonyl-pyrrolidine-2-carboxamide","2024-11-20"],["WTC","6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","C17 H18 N4 O","O=C1NC(=Nc2c1cnn2C3CCCC3)Cc4ccccc4;O=C1NC(=Nc2n(ncc12)C3CCCC3)Cc4ccccc4;c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2","InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)","","2009-09-11","2011-06-04","6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",""],["WTD","2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide","C20 H17 F2 N3 O5","COc3cc(CCNC(C2=C(C(=O)N=C(c1c(cccc1F)F)N2)O)=O)ccc3O;COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3c(F)cccc3F)ccc1O;COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O","InChI=1S/C20H17F2N3O5/c1-30-14-9-10(5-6-13(14)26)7-8-23-19(28)16-17(27)20(29)25-18(24-16)15-11(21)3-2-4-12(15)22/h2-6,9,26-27H,7-8H2,1H3,(H,23,28)(H,24,25,29)","","2020-11-10","2021-11-05","2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide","2021-11-10"],["WTE","N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide","C34 H42 F N3 O7","Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCO1)C=C1CCOC1=O;CC(C)C[CH](NC(=O)[CH](Cc1ccc(F)cc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C[CH]3CCCO3)C=C4CCOC4=O;CC(C)CC(C(=O)NC(CC1CCCO1)C=C2CCOC2=O)NC(=O)C(Cc3ccc(cc3)F)NC(=O)OCc4ccccc4","InChI=1S/C34H42FN3O7/c1-22(2)17-29(31(39)36-27(20-28-9-6-15-43-28)19-25-14-16-44-33(25)41)37-32(40)30(18-23-10-12-26(35)13-11-23)38-34(42)45-21-24-7-4-3-5-8-24/h3-5,7-8,10-13,19,22,27-30H,6,9,14-18,20-21H2,1-2H3,(H,36,39)(H,37,40)(H,38,42)/b25-19-/t27-,28+,29+,30+/m1/s1","GSK4365096A","2023-10-12","2024-09-27","N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide","2024-03-13"],["WTF","[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone","C21 H22 F N3 O3 S2","CCS(=O)(=O)c4c(C(=O)N1C(CN(CC1)c2nc3c(s2)cc(cc3)F)C)cccc4;CC[S](=O)(=O)c1ccccc1C(=O)N2CCN(C[CH]2C)c3sc4cc(F)ccc4n3;CCS(=O)(=O)c1ccccc1C(=O)N2CCN(CC2C)c3nc4ccc(cc4s3)F","InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1","","2018-07-03","2018-09-21","[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone","2018-09-26"],["WTG","2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide","C20 H18 F N3 O5","c3c(c(OC)cc(CCNC(=O)C2=C(O)C(=O)N=C(c1c(cccc1)F)N2)c3)O;COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3ccccc3F)ccc1O;COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O","InChI=1S/C20H18FN3O5/c1-29-15-10-11(6-7-14(15)25)8-9-22-19(27)16-17(26)20(28)24-18(23-16)12-4-2-3-5-13(12)21/h2-7,10,25-26H,8-9H2,1H3,(H,22,27)(H,23,24,28)","","2020-11-10","2021-11-05","2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide","2021-11-10"],["WTI","4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE","C18 H15 N3 O3 S","O=C(N)c1ccc(cc1)c4cc(c2scc3OCCOc23)cnc4N;NC(=O)c1ccc(cc1)c2cc(cnc2N)c3scc4OCCOc34;c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N","InChI=1S/C18H15N3O3S/c19-17-13(10-1-3-11(4-2-10)18(20)22)7-12(8-21-17)16-15-14(9-25-16)23-5-6-24-15/h1-4,7-9H,5-6H2,(H2,19,21)(H2,20,22)","","2009-09-16","2011-06-04","4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide",""],["WTJ","2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE","C16 H20 N4 O3 S","O=C(NCCN(C)C)c3cc(c1scc2OCCOc12)cnc3N;CN(C)CCNC(=O)c1cc(cnc1N)c2scc3OCCOc23;CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3","InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21)","","2009-09-16","2011-06-04","2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide",""],["WTK","~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide","C14 H20 N2 O4 S","CCC(=O)Nc1ccc(c(OC)c1)[S](=O)(=O)N2CCCC2;CCC(=O)Nc1ccc(c(c1)OC)S(=O)(=O)N2CCCC2","InChI=1S/C14H20N2O4S/c1-3-14(17)15-11-6-7-13(12(10-11)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)","WT6","2023-05-18","2024-11-15","~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide","2024-11-20"],["WTM","2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide","C19 H17 F N4 O4","C=1(NC(=O)C(=C(N=1)C(=O)NCCc2cc(OC)ncc2)O)c3ccccc3F;COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3F)ccn1;COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O","InChI=1S/C19H17FN4O4/c1-28-14-10-11(6-8-21-14)7-9-22-18(26)15-16(25)19(27)24-17(23-15)12-4-2-3-5-13(12)20/h2-6,8,10,25H,7,9H2,1H3,(H,22,26)(H,23,24,27)","","2020-11-10","2021-11-05","2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide","2021-11-10"],["WTN","(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide","C20 H25 N5 O4 S","O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC;CN[CH]1COc2n(C1)ncc2[S](=O)(=O)NC(=O)Nc3c4CCCc4cc5CCCc35;CNC1Cn2c(c(cn2)S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)OC1","InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1","","2022-10-18","2022-10-28","(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide","2022-11-02"],["WTO","methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate","C15 H20 N2 O5 S","CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)OC;CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)OC","InChI=1S/C15H20N2O5S/c1-3-14(18)16-11-6-8-12(9-7-11)23(20,21)17-10-4-5-13(17)15(19)22-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,18)/t13-/m0/s1","","2023-05-18","2024-11-22","methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate","2024-11-27"],["WTP","5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine","C20 H27 Cl N6 O","c1(nc(ncc1Cl)Nc3ccc(N2CCN(C)CC2)cc3)NCC4OCCC4;CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(NC[CH]4CCCO4)n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl","InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1","","2020-11-11","2022-02-04","5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine","2022-02-09"],["WTQ","pyridine-2,6-diol","C5 H5 N O2","Oc1cccc(O)n1;Oc1cccc(O)n1;c1cc(nc(c1)O)O","InChI=1S/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)","","2023-10-12","2024-09-13","pyridine-2,6-diol","2024-09-18"],["WTS","Phorbol 12,13-dibutyrate","C28 H40 O8","CC4=CC1C(CC(CO)=CC2C1(O)C(C(C3(C2C3(C)C)OC(=O)CCC)OC(CCC)=O)C)(C4=O)O;CCCC(=O)O[CH]1[CH](C)[C]2(O)[CH](C=C(CO)C[C]3(O)[CH]2C=C(C)C3=O)[CH]4C(C)(C)[C]14OC(=O)CCC;CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C","InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1","(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate","2020-11-11","2022-04-29","(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate","2022-05-04"],["WTT","[(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid","C30 H28 F3 N3 O4","O=C(O)CC1CCC(CC1)c1ccc(cc1)c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1;OC(=O)C[CH]1CC[CH](CC1)c2ccc(cc2)c3ccc4nc(cn4c3)C(=O)NCc5ccc(OC(F)(F)F)cc5;c1cc(ccc1CNC(=O)c2cn3cc(ccc3n2)c4ccc(cc4)C5CCC(CC5)CC(=O)O)OC(F)(F)F","InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21-","","2022-10-18","2023-06-02","[(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid","2023-06-07"],["WTU","~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide","C13 H18 N2 O3 S","CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2;CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2","InChI=1S/C13H18N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)","WT6","2023-05-18","2024-11-15","~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide","2024-11-20"],["WTV","N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide","C34 H44 F N3 O7","Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCO1)CC1CCOC1=O;CC(C)C[CH](NC(=O)[CH](Cc1ccc(F)cc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C[CH]3CCCO3)C[CH]4CCOC4=O;CC(C)CC(C(=O)NC(CC1CCOC1=O)CC2CCCO2)NC(=O)C(Cc3ccc(cc3)F)NC(=O)OCc4ccccc4","InChI=1S/C34H44FN3O7/c1-22(2)17-29(31(39)36-27(20-28-9-6-15-43-28)19-25-14-16-44-33(25)41)37-32(40)30(18-23-10-12-26(35)13-11-23)38-34(42)45-21-24-7-4-3-5-8-24/h3-5,7-8,10-13,22,25,27-30H,6,9,14-21H2,1-2H3,(H,36,39)(H,37,40)(H,38,42)/t25-,27+,28+,29-,30-/m0/s1","","2023-10-12","2024-09-27","N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide","2024-02-14"],["WTZ","(2R,3R)-2,3-Dihydroxy-2-methylbutanoic acid","C5 H10 O4","O=C(O)C(O)(C)C(O)C;C[CH](O)[C](C)(O)C(O)=O;CC(C(C)(C(=O)O)O)O","InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5-/m1/s1","","2013-06-12","2014-09-05","(2R,3R)-2,3-dihydroxy-2-methylbutanoic acid","2013-09-11"],["WU0","4-[3-(4-carboxyphenyl)phenyl]benzoic acid","C20 H14 O4","OC(=O)c1ccc(cc1)c2cccc(c2)c3ccc(cc3)C(O)=O;c1cc(cc(c1)c2ccc(cc2)C(=O)O)c3ccc(cc3)C(=O)O","InChI=1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24)","[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid","2023-10-16","2023-12-01","4-[3-(4-carboxyphenyl)phenyl]benzoic acid","2023-12-06"],["WU1","2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine","C27 H31 Cl N4 O2","COc1ccc(CCc2nc3cc(ccn3c2NC4CCCCC4)c5c(C)onc5C)cc1Cl;Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC","InChI=1S/C27H31ClN4O2/c1-17-26(18(2)34-31-17)20-13-14-32-25(16-20)30-23(27(32)29-21-7-5-4-6-8-21)11-9-19-10-12-24(33-3)22(28)15-19/h10,12-16,21,29H,4-9,11H2,1-3H3","","2020-11-13","2021-05-14","2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine","2021-05-19"],["WU2","(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","C29 H40 N4 O4","CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1;CCC[CH](CC)Oc1ccc(cc1NC(=O)c2nnn(c2C)c3cc(C)c(OC)cc3OC)C(C)(C)C;CCCC(CC)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(c(cc3OC)OC)C)C)C(C)(C)C","InChI=1S/C29H40N4O4/c1-10-12-21(11-2)37-24-14-13-20(29(5,6)7)16-22(24)30-28(34)27-19(4)33(32-31-27)23-15-18(3)25(35-8)17-26(23)36-9/h13-17,21H,10-12H2,1-9H3,(H,30,34)/t21-/m0/s1","","2023-05-18","2024-05-10","(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide","2024-05-15"],["WU3","(2S)-2-dodecylsulfanylpropanoic acid","C15 H30 O2 S","CCCCCCCCCCCCS[CH](C)C(O)=O;CCCCCCCCCCCCSC(C)C(=O)O","InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1","","2023-10-13","2024-10-18","(2~{S})-2-dodecylsulfanylpropanoic acid","2024-10-23"],["WU4","(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one","C28 H37 N3 O","N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)CC=C(/C)C)nc6C(C)(C)C4C5;C[CH]1CCC[C]23C[CH]4C(C)(C)c5[nH]c6c(CC=C(C)C)cccc6c5C[C]4(CN12)NC3=O;CC1CCCC23N1CC4(Cc5c6cccc(c6[nH]c5C(C4C2)(C)C)CC=C(C)C)NC3=O","InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1","","2020-11-13","2021-06-11","(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one","2021-06-16"],["WU5","(5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)","C25 H41 F O2","FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;C[CH](CCC(=O)CF)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C;CC(CCC(=O)CF)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1","","2022-10-19","2024-09-27","(5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)","2023-11-01"],["WU6","methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate","C26 H32 N4 O6","O=C(OC)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1;CCC[CH](CC)Oc1ccc(cc1NC(=O)c2nnn(c2C)c3cc(OC)ccc3OC)C(=O)OC;CCCC(CC)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(ccc3OC)OC)C)C(=O)OC","InChI=1S/C26H32N4O6/c1-7-9-18(8-2)36-22-12-10-17(26(32)35-6)14-20(22)27-25(31)24-16(3)30(29-28-24)21-15-19(33-4)11-13-23(21)34-5/h10-15,18H,7-9H2,1-6H3,(H,27,31)/t18-/m0/s1","","2023-05-18","2024-05-10","methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate","2024-05-15"],["WU7","(4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium","C41 H82 N2 O6 P","C(CCCCCCCCCC)CCC=[C@H]C(O)C(COP(OCC[N+](C)(C)C)(O)=O)NC(CCCCCCC[C@H]=CCCCCCCCC)=O;CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P](O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCCC)O","InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b21-20-,34-32+/t39-,40-/m0/s1","N-oleoylsphingosine-1-phosphocholine; C18:1 Sphingomyelin","2020-11-13","2021-04-30","(4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium","2021-05-05"],["WU8","3-dodecylsulfanyl-2,2-dimethyl-propanoic acid","C17 H34 O2 S","CCCCCCCCCCCCSCC(C)(C)C(O)=O;CCCCCCCCCCCCSCC(C)(C)C(=O)O","InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17(2,3)16(18)19/h4-15H2,1-3H3,(H,18,19)","","2023-10-13","2024-10-18","3-dodecylsulfanyl-2,2-dimethyl-propanoic acid","2024-10-23"],["WU9","(5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)","C32 H51 F O4","FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCCOCCOCC#C;C[CH](CCC(=O)CF)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OCCOCCOCC#C;CC(CCC(=O)CF)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OCCOCCOCC#C)C)C","InChI=1S/C32H51FO4/c1-5-16-35-17-18-36-19-20-37-26-12-14-31(3)24(21-26)7-9-27-29-11-10-28(23(2)6-8-25(34)22-33)32(29,4)15-13-30(27)31/h1,23-24,26-30H,6-22H2,2-4H3/t23-,24-,26-,27+,28-,29+,30+,31+,32-/m1/s1","","2022-10-19","2024-09-27","(5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)","2023-11-01"],["WUA","(4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium","C47 H96 N2 O6 P","[N+](C)(CCOP(OCC(C(C=CCCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)(O)=O)(C)C;CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[P](O)(=O)OCC[N+](C)(C)C)[CH](O)C=CCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O","InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b40-38+/t45-,46-/m0/s1","N-lignoceroylsphingosine-1-phosphocholine; C24 Sphingomyelin","2020-11-13","2021-04-30","(4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium","2021-05-05"],["WUB","(1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid","C13 H12 N2 O2","O=C(O)C3CC=CC2=Nc1ccccc1NC23;OC(=O)[CH]1CC=CC2=Nc3ccccc3N[CH]12;c1ccc2c(c1)NC3C(CC=CC3=N2)C(=O)O","InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-3,5-8,12,15H,4H2,(H,16,17)/t8-,12+/m1/s1","","2012-10-24","2013-08-02","(1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid","2013-08-07"],["WUC","(15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid","C39 H41 Cl F N5 O5 S","O=C(O)c1n(C)c2c3ccc(Cl)c2c2c(CSCc4nn(C)c(CCc5cc6cc(F)ccc6c(OCCCc31)c5)c4)c(COCCOC)nn2C;COCCOCc1nn(C)c2c1CSCc3cc(CCc4cc(OCCCc5c6ccc(Cl)c2c6n(C)c5C(O)=O)c7ccc(F)cc7c4)n(C)n3;Cn1c2cc(n1)CSCc3c(nn(c3-c4c(ccc5c4n(c(c5CCCOc6cc(cc7c6ccc(c7)F)CC2)C(=O)O)C)Cl)C)COCCOC","InChI=1S/C39H41ClFN5O5S/c1-44-36-30-11-12-32(40)35(36)37-31(33(43-46(37)3)20-50-15-14-49-4)22-52-21-26-19-27(45(2)42-26)9-7-23-16-24-18-25(41)8-10-28(24)34(17-23)51-13-5-6-29(30)38(44)39(47)48/h8,10-12,16-19H,5-7,9,13-15,20-22H2,1-4H3,(H,47,48)","","2023-05-18","2023-08-04","(15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid (non-preferred name)","2023-08-09"],["WUD","ingenol-3-angelate","C25 H34 O6","C[C@H]=C(C(=O)OC3C4(C(O)C(CO)=CC1C(C4(C(CC2C1C2(C)C)C)C=C3C)=O)O)C;CC=C(C)C(=O)O[CH]1C(=C[C]23[CH](C)C[CH]4[CH]([CH](C=C(CO)[CH](O)[C]12O)C3=O)C4(C)C)C;CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C","InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1","ingenol mebutate; (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z)-2-methylbut-2-enoate","2020-11-15","2022-04-29","(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z)-2-methylbut-2-enoate","2022-05-04"],["WUE","(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid","C25 H20 O3","OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34;c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3cccc4c3cccc4","InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1","","2023-10-13","2024-10-11","(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid","2024-10-16"],["WUF","benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron","C41 H39 Fe N4 O4","O=C(O)CCC1=C(C)C2=CC=3C(C=C)=C(C)C4=Cc5c(C=C)c(C)c6C=C7C(C)=C(CCC(=O)O)C=8C=C1N2[Fe](Cc1ccccc1)(n65)(N4=3)N7=8;CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe](Cc5ccccc5)[N]6C(=CC7=NC(=Cc4c(C=C)c3C)C(=C7C=C)C)C(=C(CCC(O)=O)C6=C2)C;Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)Cc9ccccc9)C=C)C","InChI=1S/C34H34N4O4.C7H7.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-7-5-3-2-4-6-7;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2-6H,1H2;/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;","","2022-10-19","2023-03-31","benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron","2023-04-05"],["WUG","1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine","C6 H11 N3","Cc1c(CN)nc(n1)C;Cc1[nH]c(CN)c(C)n1;Cc1c([nH]c(n1)C)CN","InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)","","2020-11-17","2020-11-20","1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine","2020-11-25"],["WUH","Thymine dimer","C20 H28 N4 O15 P2","CC1=C([O-])NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5[CH]([CH]12)C(=C([O-])NC5=O)C)O3;CC1=C(NC(=O)N2C1C3C(=C(NC(=O)N3C4CC(C(O4)COP(=O)(O)O)OP(=O)(OCC5C(CC2O5)O)O)[O-])C)[O-]","InChI=1S/C20H30N4O15P2/c1-7-15-16-8(2)18(27)22-20(29)24(16)14-4-10(12(38-14)6-35-40(30,31)32)39-41(33,34)36-5-11-9(25)3-13(37-11)23(15)19(28)21-17(7)26/h9-16,25-27H,3-6H2,1-2H3,(H,21,28)(H,22,29)(H,33,34)(H2,30,31,32)/p-2/t9-,10-,11+,12+,13+,14+,15-,16+/m0/s1","","2023-05-18","2023-11-17","","2023-11-22"],["WUI","3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one","C26 H27 F3 N6 O","C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CN([CH](C)c4cnn(C)c4)C3=O)C(F)(F)F)c5nncn5C;CC1CC(C1)(c2cccc(c2)C3=CC(=CN(C3=O)C(C)c4cnn(c4)C)C(F)(F)F)c5nncn5C","InChI=1S/C26H27F3N6O/c1-16-10-25(11-16,24-32-30-15-33(24)3)20-7-5-6-18(8-20)22-9-21(26(27,28)29)14-35(23(22)36)17(2)19-12-31-34(4)13-19/h5-9,12-17H,10-11H2,1-4H3/t16-,17-,25+/m1/s1","","2023-10-13","2024-01-05","3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one","2024-01-10"],["WUJ","N-[(furan-2-yl)methyl]urea","C6 H8 N2 O2","NC(NCc1ccco1)=O;NC(=O)NCc1occc1;c1cc(oc1)CNC(=O)N","InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)","","2020-11-17","2020-11-20","N-[(furan-2-yl)methyl]urea","2020-11-25"],["WUK","methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate","C27 H29 N3 O5","O=C(OC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc2ccccc21;COC(=O)CCC(=O)NNC(=O)CCc1ccccc1C(=O)N[CH](C)c2cccc3ccccc23;CC(c1cccc2c1cccc2)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)OC","InChI=1S/C27H29N3O5/c1-18(21-13-7-10-19-8-3-5-11-22(19)21)28-27(34)23-12-6-4-9-20(23)14-15-24(31)29-30-25(32)16-17-26(33)35-2/h3-13,18H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,32)/t18-/m1/s1","","2022-10-19","2024-09-27","methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate","2023-04-05"],["WUL","8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE","C15 H14 Br N3 O3","Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4;O[CH]1CCN(C1)CC2=Nc3c(oc4ccc(Br)cc34)C(=O)N2;c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CCC(C4)O","InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1","(S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL)","2012-03-20","2021-03-01","8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one",""],["WUM","4-[(dimethylamino)methyl]-1,3-thiazol-2-amine","C6 H11 N3 S","CN(C)Cc1nc(sc1)N;CN(C)Cc1csc(N)n1;CN(C)Cc1csc(n1)N","InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)","","2020-11-17","2020-11-20","4-[(dimethylamino)methyl]-1,3-thiazol-2-amine","2020-11-25"],["WUN","2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose","C13 H18 Cl N O5","Clc1ccc(cc1)COC2C(OC(O)C(N)C2O)CO;N[CH]1[CH](O)O[CH](CO)[CH](OCc2ccc(Cl)cc2)[CH]1O;c1cc(ccc1COC2C(OC(C(C2O)N)O)CO)Cl","InChI=1S/C13H18ClNO5/c14-8-3-1-7(2-4-8)6-19-12-9(5-16)20-13(18)10(15)11(12)17/h1-4,9-13,16-18H,5-6,15H2/t9-,10-,11-,12-,13+/m1/s1","(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4-diol;\n4-chlorobenzyl-alpha-D-glucosamine; 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucose;\n2-amino-4-O-(4-chlorobenzyl)-2-deoxy-D-glucose; 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-glucose","2012-07-30","2020-07-17","2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose","2013-08-07"],["WUO","acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2)","C72 H135 O24 P","CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O;CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(=O)CCCCCCCCC(C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O","InChI=1S/C72H135O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-55,59-73,77-85H,5-51H2,1-4H3,(H,86,87)/t52-,53-,54-,55-,59-,60-,61+,62+,63+,64+,65-,66+,67+,68-,69-,70+,71-,72-/m1/s1","[(2R)-2-[(10E,13E)-hexadeca-10,13-dienoyl]oxy-3-[[(1S,2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10R)-10-methyloctadecanoate; phosphatidylinositol mannoside","2023-05-18","2024-07-12","[(2~{R})-2-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10~{R})-10-methyloctadecanoate","2024-07-17"],["WUP","5,15-Diphenylporphyrin containing FE","C32 H20 Fe N4","[Fe]1n2c3ccc2C(=C4C=CC(=N4)C=C5C=CC(=C(c6ccccc6)C7=NC(=C3)C=C7)[N]15)c8ccccc8;c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1","InChI=1S/C32H20N4.Fe/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24;/h1-20H;/q-2;+2/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-;","","2017-05-17","2017-12-01","","2017-12-06"],["WUQ","3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one","C20 H19 F3 N4 O","C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C;CC1CC(C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C","InChI=1S/C20H19F3N4O/c1-12-8-19(9-12,18-26-25-11-27(18)2)14-5-3-4-13(6-14)16-7-15(20(21,22)23)10-24-17(16)28/h3-7,10-12H,8-9H2,1-2H3,(H,24,28)/t12-,19+","","2023-10-13","2024-01-05","3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one","2024-01-10"],["WUR","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol","C24 H33 N5 O4","Cc1nc2cc(ccc2n1CCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn1;Cc1nc2cc(ccc2n1CCCCCCN3C[CH](O)[CH](O)[CH](O)[CH]3CO)c4ncccn4;Cc1nc2cc(ccc2n1CCCCCCN3CC(C(C(C3CO)O)O)O)c4ncccn4","InChI=1S/C24H33N5O4/c1-16-27-18-13-17(24-25-9-6-10-26-24)7-8-19(18)29(16)12-5-3-2-4-11-28-14-21(31)23(33)22(32)20(28)15-30/h6-10,13,20-23,30-33H,2-5,11-12,14-15H2,1H3/t20-,21+,22-,23-/m1/s1","","2022-10-20","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol","2023-02-22"],["WUS","(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine","C8 H13 N3","c12CC(CCc1nc(C)n2)N;Cc1[nH]c2CC[CH](N)Cc2n1;Cc1[nH]c2c(n1)CC(CC2)N","InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1","","2020-11-17","2020-11-20","(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine","2020-11-25"],["WUT","9~{H}-purine","C5 H4 N4","[nH]1cnc2cncnc12;c1c2c([nH]cn2)ncn1","InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)","","2023-05-19","2024-06-07","9~{H}-purine","2024-06-12"],["WUU","N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide","C18 H14 Cl2 N2 O3","Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(Cl)c1;Clc1ccc(CNC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c(Cl)c1;c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)N3C(=O)CCC3=O","InChI=1S/C18H14Cl2N2O3/c19-13-4-1-12(15(20)9-13)10-21-18(25)11-2-5-14(6-3-11)22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)","","2023-10-13","2024-09-27","N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide","2024-06-26"],["WUV","5'-thiothymidine","C10 H14 N2 O4 S","C(S)C2C(CC(N1C(NC(C(C)=C1)=O)=O)O2)O;CC1=CN([CH]2C[CH](O)[CH](CS)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)CS)O","InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1","","2020-11-17","2020-11-20","5'-thiothymidine","2020-11-25"],["WUW","(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane","C11 H21 N O4 S","CS(=O)(=O)N1CC(OC)C2CC1CCC2OC;CO[CH]1CC[CH]2C[CH]1[CH](CN2[S](C)(=O)=O)OC;COC1CCC2CC1C(CN2S(=O)(=O)C)OC","InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1","","2022-10-20","2022-11-18","(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane","2022-11-23"],["WUX","2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid","C33 H54 O6","C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O;CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4C(CCCC5CCCC5)C(=O)O)OC(=O)C)C)O)C","InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1","","2023-05-22","2024-04-26","2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid","2024-05-01"],["WUY","N-(2-aminoethyl)-N'-phenylurea","C9 H13 N3 O","c1ccc(NC(NCCN)=O)cc1;NCCNC(=O)Nc1ccccc1;c1ccc(cc1)NC(=O)NCCN","InChI=1S/C9H13N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)","","2020-11-17","2020-11-20","N-(2-aminoethyl)-N'-phenylurea","2020-11-25"],["WUZ","N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide","C19 H16 Cl2 N2 O3","Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CC(C)C2=O)c(Cl)c1;C[CH]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl;CC1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl","InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1","","2023-10-13","2024-09-27","N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide","2024-06-26"],["WV0","5-fluoro-1,3-dihydro-2H-indol-2-one","C8 H6 F N O","Fc1cc2CC(=O)Nc2cc1;Fc1ccc2NC(=O)Cc2c1;c1cc2c(cc1F)CC(=O)N2","InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)","","2022-10-20","2024-09-27","5-fluoro-1,3-dihydro-2H-indol-2-one","2022-11-23"],["WV1","N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide","C12 H16 N2 O","c2c(NC(=O)C1CC1)ccc(c2)C(C)N;C[CH](N)c1ccc(NC(=O)C2CC2)cc1;CC(c1ccc(cc1)NC(=O)C2CC2)N","InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1","","2020-11-17","2021-06-25","N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide","2021-06-30"],["WV2","mitapivat","C24 H26 N4 O3 S","O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21;O=C(N1CCN(CC1)CC2CC2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3;c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)CC5CC5","InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2","N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide","2023-05-19","2024-05-10","N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide","2024-05-15"],["WV3","4-{(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione","C15 H23 N O4","O=C1CC(CC(O)C2CC(C)CC(C)C2=O)CC(=O)N1;C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2;CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C","InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)","","2023-10-13","2024-11-15","4-{(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione","2024-11-20"],["WV4","N-ethyl-2-fluoro-4-(methylsulfonyl)aniline","C9 H12 F N O2 S","c1cc(NCC)c(cc1S(C)(=O)=O)F;CCNc1ccc(cc1F)[S](C)(=O)=O;CCNc1ccc(cc1F)S(=O)(=O)C","InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3","","2020-11-17","2021-06-25","N-ethyl-2-fluoro-4-(methylsulfonyl)aniline","2021-06-30"],["WV5","(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","C18 H31 N O5","OCC1C(O)C(O)C(O)CN1CCCCCCCCc1ccco1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCCCc2occc2;c1cc(oc1)CCCCCCCCN2CC(C(C(C2CO)O)O)O","InChI=1S/C18H31NO5/c20-13-15-17(22)18(23)16(21)12-19(15)10-6-4-2-1-3-5-8-14-9-7-11-24-14/h7,9,11,15-18,20-23H,1-6,8,10,12-13H2/t15-,16+,17-,18-/m1/s1","","2022-10-20","2023-02-17","(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["WV7","2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol","C11 H10 F3 N O2","FC(F)(F)C(=O)N2Cc1c(cc(O)cc1)CC2;Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F;c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F","InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2","","2010-10-05","2011-06-04","2,2,2-trifluoro-1-(6-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone",""],["WV8","(2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine","C13 H18 N2 O","CCC(CC1N=C(N)OC1)c1ccccc1;CC[CH](C[CH]1COC(=N1)N)c2ccccc2;CCC(CC1COC(=N1)N)c2ccccc2","InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1","","2023-10-16","2024-01-05","(4S)-4-[(2S)-2-phenylbutyl]-4,5-dihydro-1,3-oxazol-2-amine","2024-01-10"],["WV9","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol","C20 H33 N O5","COCCc1ccc(cc1)CCCCCN1CC(O)C(O)C(O)C1CO;COCCc1ccc(CCCCCN2C[CH](O)[CH](O)[CH](O)[CH]2CO)cc1;COCCc1ccc(cc1)CCCCCN2CC(C(C(C2CO)O)O)O","InChI=1S/C20H33NO5/c1-26-12-10-16-8-6-15(7-9-16)5-3-2-4-11-21-13-18(23)20(25)19(24)17(21)14-22/h6-9,17-20,22-25H,2-5,10-14H2,1H3/t17-,18+,19-,20-/m1/s1","","2022-10-20","2023-02-17","(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol","2023-02-22"],["WVA","1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one","C23 H22 F4 N4 O","C(n2c(nc1cc(CN)ccc12)CN5C(C3(CC3)c4ccc(F)cc45)=O)CCC(F)(F)F;NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c5ccc(F)cc35)nc2c1;c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F","InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2","Sisunatovir","2020-11-17","2021-11-08","1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one","2021-04-21"],["WVD","4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one","C9 H11 N3 O2 S","C2NC(=O)CN(C(c1c(C)ncs1)=O)C2;Cc1ncsc1C(=O)N2CCNC(=O)C2;Cc1c(scn1)C(=O)N2CCNC(=O)C2","InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)","","2020-11-17","2021-06-25","4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one","2021-06-30"],["WVE","(3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide","C18 H19 Cl N2 O3 S","NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1Cl;N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl;c1cc(c(cc1O)Cl)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N","InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m1/s1","","2022-10-21","2022-12-23","(3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide","2022-12-28"],["WVG","3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid","C14 H18 N4 O2","c21c(ncc1)ncnc2N3CCCC(CCC(O)=O)C3;OC(=O)CC[CH]1CCCN(C1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCC(C3)CCC(=O)O","InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m1/s1","","2020-11-17","2022-07-08","3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid","2022-07-13"],["WVH","4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide","C33 H29 F3 N6 O2","O=C(Nc1ccncc1)C(NC(=O)c4ccc(N3CCN(c2c(F)cc(F)cc2)CC3)cc4F)Cc6c5ccccc5nc6;Fc1ccc(N2CCN(CC2)c3ccc(C(=O)N[CH](Cc4c[nH]c5ccccc45)C(=O)Nc6ccncc6)c(F)c3)c(F)c1;c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F","InChI=1S/C33H29F3N6O2/c34-22-5-8-31(28(36)18-22)42-15-13-41(14-16-42)24-6-7-26(27(35)19-24)32(43)40-30(33(44)39-23-9-11-37-12-10-23)17-21-20-38-29-4-2-1-3-25(21)29/h1-12,18-20,30,38H,13-17H2,(H,40,43)(H,37,39,44)/t30-/m1/s1","","2013-08-01","2014-09-05","Nalpha-{4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide","2014-08-20"],["WVI","3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE","C8 H9 N3 S","n1nc(c(c1C)c2sccc2)N;Cc1n[nH]c(N)c1c2sccc2;Cc1c(c([nH]n1)N)c2cccs2","InChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)","","2012-10-05","2014-09-05","3-methyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine","2013-06-26"],["WVK","(2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide","C11 H9 N3 O S","O=C(/C=C/c1cccs1)Nc1ncccn1;O=C(Nc1ncccn1)C=Cc2sccc2;c1cc(sc1)C=CC(=O)Nc2ncccn2","InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+","","2023-10-16","2024-03-01","(2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide","2024-03-06"],["WVL","(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid","C8 H15 N O2","O=C(O)C(N)C(C=C(/C)C)C;C[CH](C=C(C)C)[CH](N)C(O)=O;CC(C=C(C)C)C(C(=O)O)N","InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1","","2013-06-18","2024-09-27","(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid","2013-09-18"],["WVM","(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","C15 H21 F N4 O3","c3nc(NCC(C)O)cc(N2CC1(CCC1)C(C2)(C(O)=O)F)n3;C[CH](O)CNc1cc(ncn1)N2CC3(CCC3)[C](F)(C2)C(O)=O;CC(CNc1cc(ncn1)N2CC3(CCC3)C(C2)(C(=O)O)F)O","InChI=1S/C15H21FN4O3/c1-10(21)6-17-11-5-12(19-9-18-11)20-7-14(3-2-4-14)15(16,8-20)13(22)23/h5,9-10,21H,2-4,6-8H2,1H3,(H,22,23)(H,17,18,19)/t10-,15+/m1/s1","","2020-11-17","2022-07-08","(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid","2022-07-13"],["WVN","1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","C40 H56","CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C;CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C","InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1","ALPHA-CAROTENE","2023-10-17","2024-06-19","1,3,3-trimethyl-2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R})-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","2024-05-29"],["WVP","5,15-Bisethynyl-10,20-diphenylporphyrin containing FE","C36 H20 Fe N4","C#CC1=C2C=CC3=C(c4ccccc4)C5=NC(=C(C#C)c6ccc(n6[Fe][N]23)C(=C7C=CC1=N7)c8ccccc8)C=C5;C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1","InChI=1S/C36H20N4.Fe/c1-3-25-27-15-19-31(37-27)35(23-11-7-5-8-12-23)33-21-17-29(39-33)26(4-2)30-18-22-34(40-30)36(24-13-9-6-10-14-24)32-20-16-28(25)38-32;/h1-2,5-22H;/q-2;+2/b27-25-,28-25-,29-26-,30-26-,35-31-,35-33-,36-32-,36-34-;","","2017-05-19","2017-12-01","","2017-12-06"],["WVQ","N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","C10 H14 N5 O8 P","O=P(O)(O)OCC1OC(NC2=NC(N)=NC(=O)C/2=NC=O)CC1O;NC1=NC(=O)C(=NC=O)C(=N1)N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1C(C(OC1NC2=NC(=NC(=O)C2=NC=O)N)COP(=O)(O)O)O","InChI=1S/C10H14N5O8P/c11-10-14-8(7(12-3-16)9(18)15-10)13-6-1-4(17)5(23-6)2-22-24(19,20)21/h3-6,17H,1-2H2,(H2,19,20,21)(H3,11,13,14,15,18)/b12-7+/t4-,5+,6+/m0/s1","","2023-10-16","2024-04-19","N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","2024-04-24"],["WVR","(3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide","C18 H20 N2 O3 S","NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1;N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4;c1cc(ccc1C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N)O","InChI=1S/C18H20N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,14-15,18,20-21H,1-3H2,(H2,19,22,23)/t14-,15+,18+/m0/s1","","2022-10-21","2022-12-23","(3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide","2022-12-28"],["WVU","(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate","C12 H14 N2 O3","O=C1CN(CCN1)C(=O)OCc2ccccc2;c1ccc(cc1)COC(=O)N2CCNC(=O)C2","InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)","","2023-10-16","2024-03-22","(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate","2024-03-27"],["WVV","3-(2-fluorophenyl)benzoic acid","C13 H9 F O2","OC(=O)c1cccc(c1)c2ccccc2F;c1ccc(c(c1)c2cccc(c2)C(=O)O)F","InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)","","2017-07-27","2018-01-05","3-(2-fluorophenyl)benzoic acid","2018-01-10"],["WVW","(3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide","C18 H20 N2 O3 S","NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1;N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4;c1cc(ccc1C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N)O","InChI=1S/C18H20N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,14-15,18,20-21H,1-3H2,(H2,19,22,23)/t14-,15+,18+/m1/s1","","2022-10-21","2022-12-23","(3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide","2022-12-28"],["WVY","[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate","C17 H19 N3 O3","c3nn(c2ccc(CC(OCC1C(NCCC1)=O)=O)cc2)cc3;O=C(Cc1ccc(cc1)n2cccn2)OC[CH]3CCCNC3=O;c1cnn(c1)c2ccc(cc2)CC(=O)OCC3CCCNC3=O","InChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1","","2020-11-17","2022-07-08","[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate","2022-07-13"],["WVZ","(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one","C15 H13 N O","O=C1Cc2ccccc2[CH](N1)c3ccccc3;c1ccc(cc1)C2c3ccccc3CC(=O)N2","InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1","","2023-10-16","2024-03-22","(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one","2024-03-27"],["WW0","2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide","C12 H16 N4 O2","CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12;CCC(CC)NC(=O)c1ccnc2[nH]c(O)nc12;CCC(CC)NC(=O)c1ccnc2c1nc([nH]2)O","InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18)","","2022-10-21","2022-11-04","2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide","2022-11-09"],["WW1","3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","C12 H13 N5 S","c3nc1n(c(nn1)SCC(c2ccccc2)C)n3;C[CH](CSc1nnc2[nH]cnn12)c3ccccc3;CC(CSc1nnc2n1nc[nH]2)c3ccccc3","InChI=1S/C12H13N5S/c1-9(10-5-3-2-4-6-10)7-18-12-16-15-11-13-8-14-17(11)12/h2-6,8-9H,7H2,1H3,(H,13,14,15)/t9-/m0/s1","","2020-11-17","2022-07-08","3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","2022-07-13"],["WW2","cyclohexyl (S)-methylphosphonofluoridoate","C7 H14 F O2 P","O=P(F)(OC1CCCCC1)C;C[P](F)(=O)OC1CCCCC1;CP(=O)(OC1CCCCC1)F","InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3/t11-/m0/s1","Cyclosarin","2009-10-22","2024-09-27","cyclohexyl (S)-methylphosphonofluoridate",""],["WW3","4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide","C12 H18 N4 O2 S","O=S(=O)(N)c2ccc(/N=N/N1CCCCCC1)cc2;N[S](=O)(=O)c1ccc(cc1)N=NN2CCCCCC2;c1cc(ccc1N=NN2CCCCCC2)S(=O)(=O)N","InChI=1S/C12H18N4O2S/c13-19(17,18)12-7-5-11(6-8-12)14-15-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H2,13,17,18)/b15-14+","","2014-04-25","2014-11-21","4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide","2014-11-26"],["WW4","4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine","C14 H15 N5 S","n1ccc2c1ncnc2N4CCC(Cc3nccs3)C4;C1CN(C[CH]1Cc2sccn2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCC(C3)Cc4nccs4","InChI=1S/C14H15N5S/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(8-19)7-12-15-4-6-20-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1","","2020-11-17","2022-07-08","4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine","2022-07-13"],["WW6","N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide","C15 H19 Cl N2 O2 S","NCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl;NCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12;c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCN","InChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2","","2022-03-28","2022-06-10","N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide","2022-06-15"],["WW7","N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE","C16 H21 Cl N2 O2 S","O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN;NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12;c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN","InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2","","1999-07-08","2011-06-04","N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide",""],["WW8","N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine","C35 H38 Cl2 N6 O","CN(C)CCCN(C)[CH]1CCN(C1)C(=O)c2[nH]c3cc(Cl)ccc3c2c4n(Cc5ccc(Cl)cc5)cnc4c6ccccc6;CN(C)CCCN(C)C1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6","InChI=1S/C35H38Cl2N6O/c1-40(2)17-7-18-41(3)28-16-19-42(22-28)35(44)33-31(29-15-14-27(37)20-30(29)39-33)34-32(25-8-5-4-6-9-25)38-23-43(34)21-24-10-12-26(36)13-11-24/h4-6,8-15,20,23,28,39H,7,16-19,21-22H2,1-3H3/t28-/m0/s1","","2010-01-25","2011-06-04","[6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-4-yl]-1H-indol-2-yl]-[(3S)-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone",""],["WW9","N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide","C17 H23 Cl N2 O2 S","NCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl;NCCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12;c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCN","InChI=1S/C17H23ClN2O2S/c18-16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)20-13-5-3-1-2-4-12-19/h6-11,20H,1-5,12-13,19H2","","2022-03-28","2022-06-10","N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide","2022-06-15"],["WWB","5-(3-methylbut-2-en-1-yl)-L-tryptophan","C16 H20 N2 O2","O=C(O)C(N)Cc1c[NH]c2ccc(cc21)CC=C(/C)C;CC(C)=CCc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1;CC(=CCc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N)C","InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-15-13(7-11)12(9-18-15)8-14(17)16(19)20/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1","","2023-10-16","2024-09-27","5-(3-methylbut-2-en-1-yl)-L-tryptophan","2024-09-25"],["WWC","1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide","C10 H12 N6 O","CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12;CC1(CC1)C(=O)NNc2ncnc3nc[nH]c23;CC1(CC1)C(=O)NNc2c3c(nc[nH]3)ncn2","InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15)","","2022-10-21","2022-11-04","1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide","2022-11-09"],["WWE","3-dodecylsulfanyl-3-methyl-butanoic acid","C17 H34 O2 S","CCCCCCCCCCCCSC(C)(C)CC(O)=O;CCCCCCCCCCCCSC(C)(C)CC(=O)O","InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(2,3)15-16(18)19/h4-15H2,1-3H3,(H,18,19)","","2023-10-16","2024-10-18","3-dodecylsulfanyl-3-methyl-butanoic acid","2024-10-23"],["WWF","C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN","C17 H29 N4 O8 P2 S","O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)CC(C)C;CC(C)C[CH](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CC(C)C)O)CCOP(=O)(O)OP(=O)(O)O","InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t14-/m1/s1","","2004-11-16","2011-06-04","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-1-hydroxy-3-methylbutyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",""],["WWH","3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide","C18 H28 N6 O","CCC(NC(=O)CCC1CCCCC1)CNc1ncnc2[NH]cnc21;CC[CH](CNc1ncnc2[nH]cnc12)NC(=O)CCC3CCCCC3;CCC(CNc1c2c([nH]cn2)ncn1)NC(=O)CCC3CCCCC3","InChI=1S/C18H28N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h11-14H,2-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1","","2022-10-21","2022-11-04","3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide","2022-11-09"],["WWJ","5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine","C17 H22 N6 O","c1(ncnc2c1c(CC)cn2)N3CCCC(C3)Cc4nc(C)no4;CCc1c[nH]c2ncnc(N3CCC[CH](C3)Cc4onc(C)n4)c12;CCc1c[nH]c2c1c(ncn2)N3CCCC(C3)Cc4nc(no4)C","InChI=1S/C17H22N6O/c1-3-13-8-18-16-15(13)17(20-10-19-16)23-6-4-5-12(9-23)7-14-21-11(2)22-24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m1/s1","","2020-11-17","2022-07-08","5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine","2022-07-13"],["WWK","3-dodecylsulfanylpropanoic acid","C15 H30 O2 S","CCCCCCCCCCCCSCCC(O)=O;CCCCCCCCCCCCSCCC(=O)O","InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)","","2023-10-16","2024-10-18","3-dodecylsulfanylpropanoic acid","2024-10-23"],["WWL","5-(phenylsulfonyl)thiophene-2-sulfonamide","C10 H9 N O4 S3","O=S(=O)(c1sc(cc1)S(=O)(=O)N)c2ccccc2;N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2;c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N","InChI=1S/C10H9NO4S3/c11-18(14,15)10-7-6-9(16-10)17(12,13)8-4-2-1-3-5-8/h1-7H,(H2,11,14,15)","","2013-07-10","2014-06-27","5-(phenylsulfonyl)thiophene-2-sulfonamide","2014-07-02"],["WWN","2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide","C17 H26 N6 O","CCC(NC(=O)CC1CCCCC1)CNc1ncnc2nc[NH]c12;CC[CH](CNc1ncnc2nc[nH]c12)NC(=O)CC3CCCCC3;CCC(CNc1c2c(nc[nH]2)ncn1)NC(=O)CC3CCCCC3","InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1","","2022-10-21","2022-11-04","2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide","2022-11-09"],["WWO","3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","C15 H15 F3 N2 O5 S2","O=S(=O)(c2c(F)c(F)c(c(F)c2NCc1ccccc1)S(=O)(=O)N)CCO;N[S](=O)(=O)c1c(F)c(F)c(c(NCc2ccccc2)c1F)[S](=O)(=O)CCO;c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F","InChI=1S/C15H15F3N2O5S2/c16-10-11(17)15(26(22,23)7-6-21)13(12(18)14(10)27(19,24)25)20-8-9-4-2-1-3-5-9/h1-5,20-21H,6-8H2,(H2,19,24,25)","","2014-06-19","2015-04-10","3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","2015-04-15"],["WWP","3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine","C13 H10 F3 N5","c1(cc(C(F)(F)F)ccc1)CN3C=NC(=C2N=CN=C23)N;Nc1ncn(Cc2cccc(c2)C(F)(F)F)c3ncnc13;c1cc(cc(c1)C(F)(F)F)Cn2cnc(c-3ncnc23)N","InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-8(4-9)5-21-7-20-11(17)10-12(21)19-6-18-10/h1-4,6-7H,5,17H2","","2020-11-17","2022-07-08","3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine","2022-07-13"],["WWQ","(3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide","C30 H34 N6 O3","CN1CCN(CC1)c1cc(ncc1)C(=O)N1CCCC(C1)C(=O)Nc1cc(ccc1)c1ccc(cc1)C(N)=O;CN1CCN(CC1)c2ccnc(c2)C(=O)N3CCC[CH](C3)C(=O)Nc4cccc(c4)c5ccc(cc5)C(N)=O;CN1CCN(CC1)c2ccnc(c2)C(=O)N3CCCC(C3)C(=O)Nc4cccc(c4)c5ccc(cc5)C(=O)N","InChI=1S/C30H34N6O3/c1-34-14-16-35(17-15-34)26-11-12-32-27(19-26)30(39)36-13-3-5-24(20-36)29(38)33-25-6-2-4-23(18-25)21-7-9-22(10-8-21)28(31)37/h2,4,6-12,18-19,24H,3,5,13-17,20H2,1H3,(H2,31,37)(H,33,38)/t24-/m0/s1","","2023-05-19","2023-07-28","(3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide","2023-08-02"],["WWR","3-(phenylmethyl)-1~{H}-imidazol-2-one","C10 H10 N2 O","O=C1NC=CN1Cc2ccccc2;c1ccc(cc1)CN2C=CNC2=O","InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)","","2023-10-16","2024-03-22","3-(phenylmethyl)-1~{H}-imidazol-2-one","2024-03-27"],["WWS","3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine","C11 H9 Cl N6","c1(ncc(cc1)Cl)CN3C=NC(=C2N=CN=C23)N;Nc1ncn(Cc2ccc(Cl)cn2)c3ncnc13;c1cc(ncc1Cl)Cn2cnc(c-3ncnc23)N","InChI=1S/C11H9ClN6/c12-7-1-2-8(14-3-7)4-18-6-17-10(13)9-11(18)16-5-15-9/h1-3,5-6H,4,13H2","","2020-11-17","2022-07-08","3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine","2022-07-13"],["WWT","2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide","C10 H12 N4 O2","CCCNC(=O)c1ccnc2[NH]c(O)nc12;CCCNC(=O)c1ccnc2[nH]c(O)nc12;CCCNC(=O)c1ccnc2c1nc([nH]2)O","InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16)","","2022-10-21","2022-11-04","2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide","2022-11-09"],["WWU","1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide","C38 H42 N10 O9","CCc1nc(C)oc1C(=O)Nc1nc2cc(cc(OCCCO)c2n1CC=CCn1c2c(OC)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O;CCc1nc(C)oc1C(=O)Nc2nc3cc(cc(OC)c3n2CC=CCn4c(NC(=O)c5oc(C)nc5CC)nc6cc(cc(OCCCO)c46)C(N)=O)C(N)=O;CCc1c(oc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CC=CCn4c5c(cc(cc5OCCCO)C(=O)N)nc4NC(=O)c6c(nc(o6)C)CC)OC)C(=O)N","InChI=1S/C38H42N10O9/c1-6-23-31(56-19(3)41-23)35(52)45-37-43-25-15-21(33(39)50)17-27(54-5)29(25)47(37)11-8-9-12-48-30-26(16-22(34(40)51)18-28(30)55-14-10-13-49)44-38(48)46-36(53)32-24(7-2)42-20(4)57-32/h8-9,15-18,49H,6-7,10-14H2,1-5H3,(H2,39,50)(H2,40,51)(H,43,45,52)(H,44,46,53)/b9-8+","","2023-05-21","2023-07-21","1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide","2023-07-26"],["WWV","4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide","C16 H19 N3 O3 S","O=S(=O)(N)c2ccc(NC(=O)Nc1ccccc1C(C)C)cc2;CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)[S](N)(=O)=O;CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N","InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)","","2010-05-26","2011-06-04","4-({[2-(propan-2-yl)phenyl]carbamoyl}amino)benzenesulfonamide",""],["WWX","2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","C22 H21 F3 N2 O6 S2","O=S(=O)(c3c(F)c(F)c(c(F)c3NC(c1ccccc1)C(O)c2ccccc2)S(=O)(=O)N)CCO;N[S](=O)(=O)c1c(F)c(F)c(c(N[CH]([CH](O)c2ccccc2)c3ccccc3)c1F)[S](=O)(=O)CCO;c1ccc(cc1)C(C(c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F","InChI=1S/C22H21F3N2O6S2/c23-15-16(24)22(34(30,31)12-11-28)19(17(25)21(15)35(26,32)33)27-18(13-7-3-1-4-8-13)20(29)14-9-5-2-6-10-14/h1-10,18,20,27-29H,11-12H2,(H2,26,32,33)/t18-,20+/m1/s1","","2014-06-16","2015-04-10","2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide","2015-04-15"],["WWZ","4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide","C13 H12 F N3 O3 S","O=S(=O)(N)c2ccc(NC(=O)Nc1ccc(F)cc1)cc2;N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1;c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F","InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)","","2010-05-26","2011-06-04","4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide",""],["WX0","1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one","C23 H22 F3 N5 O","C[CH]1C[C](C1)(c2cccc(c2)C3=Cc4c(NC3=O)n(C)cc4C(F)(F)F)c5nncn5C;CC1CC(C1)(c2cccc(c2)C3=Cc4c(cn(c4NC3=O)C)C(F)(F)F)c5nncn5C","InChI=1S/C23H22F3N5O/c1-13-9-22(10-13,21-29-27-12-31(21)3)15-6-4-5-14(7-15)16-8-17-18(23(24,25)26)11-30(2)19(17)28-20(16)32/h4-8,11-13H,9-10H2,1-3H3,(H,28,32)/t13-,22+","","2023-10-17","2024-01-05","1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7~{H}-pyrrolo[2,3-b]pyridin-6-one","2024-01-10"],["WX4","{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol","C14 H17 N7 O","C3CN(c2c1ccnc1ncn2)CC(C3)n4cc(CO)nn4;OCc1cn(nn1)[CH]2CCCN(C2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCCC(C3)n4cc(nn4)CO","InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m1/s1","","2020-11-17","2022-07-08","{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol","2022-07-13"],["WX5","(2S)-1-[(2R)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-N-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide","C26 H35 Cl N6 O5 S","NC(=N)NCCC[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CO;c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCc3cc(ccc3CO)Cl","InChI=1S/C26H35ClN6O5S/c27-21-11-10-19(16-34)20(14-21)15-31-24(35)23-9-5-13-33(23)25(36)22(8-4-12-30-26(28)29)32-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,32,34H,4-5,8-9,12-13,15-17H2,(H,31,35)(H4,28,29,30)/t22-,23+/m1/s1","","2015-05-20","2016-05-27","(2S)-1-[(2R)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-N-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide","2016-06-01"],["WX6","(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone","C13 H16 N4 O2","O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1;Oc1[nH]c2nccc(C(=O)N3CCCCCC3)c2n1;c1cnc2c(c1C(=O)N3CCCCCC3)nc([nH]2)O","InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19)","","2022-10-21","2022-11-04","(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone","2022-11-09"],["WX7","5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one","C13 H14 N6 O2","C4N(c2c1c(ncc1)ncn2)CC(C3=NNC(O3)=O)CC4;O=C1NN=C(O1)[CH]2CCCN(C2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)N3CCCC(C3)C4=NNC(=O)O4","InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m1/s1","","2020-11-17","2022-07-08","5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one","2022-07-13"],["WX8","3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide","C36 H39 N11 O8","CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1CC=CCn1c2c(OCCCO)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O;CCc1nc(C)oc1C(=O)Nc2nc3cc(cnc3n2CC=CCn4c(NC(=O)c5oc(C)nc5CC)nc6cc(cc(OCCCO)c46)C(N)=O)C(N)=O;CCc1c(oc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CC=CCn4c5c(cc(cn5)C(=O)N)nc4NC(=O)c6c(nc(o6)C)CC)OCCCO)C(=O)N","InChI=1S/C36H39N11O8/c1-5-22-28(54-18(3)40-22)33(51)44-35-42-24-14-20(30(37)49)16-26(53-13-9-12-48)27(24)46(35)10-7-8-11-47-32-25(15-21(17-39-32)31(38)50)43-36(47)45-34(52)29-23(6-2)41-19(4)55-29/h7-8,14-17,48H,5-6,9-13H2,1-4H3,(H2,37,49)(H2,38,50)(H,42,44,51)(H,43,45,52)/b8-7+","","2023-05-21","2023-07-21","3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide","2023-07-26"],["WX9","3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one","C26 H27 F3 N6 O","C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CN([CH](C)c4cnn(C)c4)C3=O)C(F)(F)F)c5nncn5C;CC1CC(C1)(c2cccc(c2)C3=CC(=CN(C3=O)C(C)c4cnn(c4)C)C(F)(F)F)c5nncn5C","InChI=1S/C26H27F3N6O/c1-16-10-25(11-16,24-32-30-15-33(24)3)20-7-5-6-18(8-20)22-9-21(26(27,28)29)14-35(23(22)36)17(2)19-12-31-34(4)13-19/h5-9,12-17H,10-11H2,1-4H3/t16-,17-,25+/m0/s1","","2023-10-17","2024-01-19","3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{S})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one","2024-01-24"],["WXA","5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","C14 H20 N4 O2 S","C1CCC(CN1c3c2c(CC)cnc2ncn3)S(C)(=O)=O;CCc1c[nH]c2ncnc(N3CCC[CH](C3)[S](C)(=O)=O)c12;CCc1c[nH]c2c1c(ncn2)N3CCCC(C3)S(=O)(=O)C","InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m1/s1","","2020-11-17","2022-07-08","5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","2022-07-13"],["WXB","6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","C14 H16 N4 O3","O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1;O=C1NC(=O)c2cc(cnc2N1)C(=O)N3CCCCCC3;c1c(cnc2c1C(=O)NC(=O)N2)C(=O)N3CCCCCC3","InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)","","2022-10-21","2022-11-04","6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","2022-11-09"],["WXC","2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one","C8 H9 N3 O","Nc1ncc2C(=O)CCCc2n1;c1c2c(nc(n1)N)CCCC2=O","InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)","","2023-05-22","2024-05-10","2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one","2024-05-15"],["WXD","5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","C14 H20 N4 O2 S","c3(N1CCCC(C1)S(C)(=O)=O)c2c(CC)cnc2ncn3;CCc1c[nH]c2ncnc(N3CCC[CH](C3)[S](C)(=O)=O)c12;CCc1c[nH]c2c1c(ncn2)N3CCCC(C3)S(=O)(=O)C","InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m0/s1","","2020-11-17","2022-07-08","5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine","2022-07-13"],["WXE","Macrofusine","C34 H59 N O15","CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O;CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O","InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20-,21-,22+,23-,24-,25-,26+,27+,32-/m0/s1","(2R)-2-[2-[(5S,6S,7R,9S,11S,16S,18R,19S)-19-azanyl-6-[(3S)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid; Fumonisin b1","2023-10-17","2024-10-18","(2~{R})-2-[2-[(5~{S},6~{S},7~{R},9~{S},11~{S},16~{S},18~{R},19~{S})-19-azanyl-6-[(3~{S})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","2024-10-23"],["WXF","(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone","C12 H14 N4 O3","CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21;C[CH]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23;CC1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O","InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1","","2022-10-21","2022-11-04","(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone","2022-11-09"],["WXG","1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one","C11 H13 N5 O S","c1(ncnc2ncnc12)SCCN3C(=O)CCC3;O=C1CCCN1CCSc2ncnc3[nH]cnc23;c1[nH]c2c(n1)c(ncn2)SCCN3CCCC3=O","InChI=1S/C11H13N5OS/c17-8-2-1-3-16(8)4-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)","","2020-11-17","2022-07-08","1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one","2022-07-13"],["WXH","(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide","C19 H17 F3 N4 O S","FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1;FC(F)(F)CNC(=O)c1scc(c1)c2cnc3[nH]c(cc3c2)C4=CCCNC4;c1c2cc([nH]c2ncc1c3cc(sc3)C(=O)NCC(F)(F)F)C4=CCCNC4","InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27)","","2023-05-22","2024-03-22","(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide","2024-03-27"],["WXJ","4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile","C14 H12 N6 O","c3c(OCCN1C=2C(=C(N)N=C1)N=CN=2)ccc(c3)C#N;Nc1ncn(CCOc2ccc(cc2)C#N)c3ncnc13;c1cc(ccc1C#N)OCCn2cnc(c-3ncnc23)N","InChI=1S/C14H12N6O/c15-7-10-1-3-11(4-2-10)21-6-5-20-9-19-13(16)12-14(20)18-8-17-12/h1-4,8-9H,5-6,16H2","","2020-11-17","2022-07-08","4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile","2022-07-13"],["WXK","N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide","C11 H12 N4 O4 S","CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1;CC1(CC1)N[S](=O)(=O)c2cnc3NC(=O)NC(=O)c3c2;CC1(CC1)NS(=O)(=O)c2cc3c(nc2)NC(=O)NC3=O","InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)","","2022-10-21","2022-11-04","N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide","2022-11-09"],["WXL","[(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid","C18 H19 Cl N6 O4 P","O=P(O)(O)CC=C/C[n+]1cn(Cc2cc3cc(Cl)ccc3[NH]2)c2C(=O)NC(N)=Nc21;NC1=Nc2c(n(Cc3[nH]c4ccc(Cl)cc4c3)c[n+]2CC=CC[P](O)(O)=O)C(=O)N1;c1cc2c(cc1Cl)cc([nH]2)Cn3c[n+](c4c3C(=O)NC(=N4)N)CC=CCP(=O)(O)O","InChI=1S/C18H18ClN6O4P/c19-12-3-4-14-11(7-12)8-13(21-14)9-25-10-24(5-1-2-6-30(27,28)29)16-15(25)17(26)23-18(20)22-16/h1-4,7-8,10,21H,5-6,9H2,(H4-,20,22,23,26,27,28,29)/p+1/b2-1-","","2023-05-22","2023-06-16","2-amino-7-[(5-chloro-1H-indol-2-yl)methyl]-6-oxo-9-[(2Z)-4-phosphonobut-2-en-1-yl]-6,7-dihydro-1H-purin-9-ium","2023-06-21"],["WXM","2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid","C12 H17 B N O6 S","OC(=O)C[CH]1CC[CH](NC(=O)Cc2sccc2)[B-](O)(O)O1;[B-]1(C(CCC(O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O","InChI=1S/C12H17BNO6S/c15-11(7-9-2-1-5-21-9)14-10-4-3-8(6-12(16)17)20-13(10,18)19/h1-2,5,8,10,18-19H,3-4,6-7H2,(H,14,15)(H,16,17)/q-1/t8-,10-/m0/s1","","2019-12-11","2020-08-07","2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid","2020-08-12"],["WXN","3-(((2-cycloheptylethyl)(methyl)amino)methyl)-N-methyl-1H-indol-7-amine","C20 H31 N3","CNc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12;CNc1cccc2c1[nH]cc2CN(C)CCC3CCCCCC3","InChI=1S/C20H31N3/c1-21-19-11-7-10-18-17(14-22-20(18)19)15-23(2)13-12-16-8-5-3-4-6-9-16/h7,10-11,14,16,21-22H,3-6,8-9,12-13,15H2,1-2H3","3-[[2-cycloheptylethyl(methyl)amino]methyl]-N-methyl-1H-indol-7-amine","2023-10-17","2024-10-18","3-[[2-cycloheptylethyl(methyl)amino]methyl]-~{N}-methyl-1~{H}-indol-7-amine","2024-10-23"],["WXO","6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","C13 H16 N4 O4 S","O=S(=O)(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1;O=C1NC(=O)c2cc(cnc2N1)[S](=O)(=O)N3CCCCCC3;c1c(cnc2c1C(=O)NC(=O)N2)S(=O)(=O)N3CCCCCC3","InChI=1S/C13H16N4O4S/c18-12-10-7-9(8-14-11(10)15-13(19)16-12)22(20,21)17-5-3-1-2-4-6-17/h7-8H,1-6H2,(H2,14,15,16,18,19)","","2022-10-21","2022-11-04","6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","2022-11-09"],["WXP","5,10,15-Triphenylporphyrin cpntaining FE","C38 H24 Fe N4","[Fe]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3)C=C7)[N]15)c8ccccc8)c9ccccc9;c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1","InChI=1S/C38H24N4.Fe/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34;/h1-24H;/q-2;+2/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-;","","2017-05-19","2017-12-01","","2017-12-06"],["WXQ","N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide","C23 H21 N5 O2","C=CC(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(OC)cc1;COc1ccc(cc1)c2c(n(C)c3ncnc(N)c23)c4ccc(NC(=O)C=C)cc4;Cn1c(c(c2c1ncnc2N)c3ccc(cc3)OC)c4ccc(cc4)NC(=O)C=C","InChI=1S/C23H21N5O2/c1-4-18(29)27-16-9-5-15(6-10-16)21-19(14-7-11-17(30-3)12-8-14)20-22(24)25-13-26-23(20)28(21)2/h4-13H,1H2,2-3H3,(H,27,29)(H2,24,25,26)","","2023-05-22","2024-02-09","N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide","2024-02-14"],["WXR","N-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1H-indol-7-yl]-N-methyl-methanamide","C21 H31 N3 O","CN(CCC1CCCCCC1)Cc2c[nH]c3c(cccc23)N(C)C=O;CN(CCC1CCCCCC1)Cc2c[nH]c3c2cccc3N(C)C=O","InChI=1S/C21H31N3O/c1-23(13-12-17-8-5-3-4-6-9-17)15-18-14-22-21-19(18)10-7-11-20(21)24(2)16-25/h7,10-11,14,16-17,22H,3-6,8-9,12-13,15H2,1-2H3","","2023-10-17","2024-10-18","~{N}-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-yl]-~{N}-methyl-methanamide","2024-10-23"],["WXS","4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one","C10 H8 N4 O3 S","c2(c1c(ncn1)ncn2)SCC3=C(C)OC(=O)O3;CC1=C(CSc2ncnc3[nH]cnc23)OC(=O)O1;CC1=C(OC(=O)O1)CSc2c3c([nH]cn3)ncn2","InChI=1S/C10H8N4O3S/c1-5-6(17-10(15)16-5)2-18-9-7-8(12-3-11-7)13-4-14-9/h3-4H,2H2,1H3,(H,11,12,13,14)","","2020-11-17","2022-07-08","4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one","2022-07-13"],["WXT","1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide","C16 H24 N6 O","CC1(CCC1)C(=O)NCC(Nc1ncnc2[NH]cnc21)C(C)C;CC(C)[CH](CNC(=O)C1(C)CCC1)Nc2ncnc3[nH]cnc23;CC(C)C(CNC(=O)C1(CCC1)C)Nc2c3c([nH]cn3)ncn2","InChI=1S/C16H24N6O/c1-10(2)11(7-17-15(23)16(3)5-4-6-16)22-14-12-13(19-8-18-12)20-9-21-14/h8-11H,4-7H2,1-3H3,(H,17,23)(H2,18,19,20,21,22)/t11-/m1/s1","","2022-10-21","2022-11-04","1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide","2022-11-09"],["WXU","3-hydroxy-3-methyl-2-oxobutanoic acid","C5 H8 O4","O=C(O)C(=O)C(C)(C)O;CC(C)(O)C(=O)C(O)=O;CC(C)(C(=O)C(=O)O)O","InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)","","2023-05-22","2024-04-19","3-hydroxy-3-methyl-2-oxobutanoic acid","2024-04-24"],["WXV","N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE","C18 H23 N7 O3 S","O=S(=O)(N4CCC(Nc3nc2c1n(nc(C(=O)NC)c1ccc2cn3)C)CC4)C;CNC(=O)c1nn(C)c2c1ccc3cnc(NC4CCN(CC4)[S](C)(=O)=O)nc23;CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C","InChI=1S/C18H23N7O3S/c1-19-17(26)15-13-5-4-11-10-20-18(22-14(11)16(13)24(2)23-15)21-12-6-8-25(9-7-12)29(3,27)28/h4-5,10,12H,6-9H2,1-3H3,(H,19,26)(H,20,21,22)","","2009-11-10","2011-06-04","N,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide",""],["WXW"," (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide","C46 H54 N6 O7","CCOc1cccc2CNc3ccc(C[CH](NC(=O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)CC5CCC(CC5)NC(=O)COc12)c6ccccc6)C(=O)NC)cc3;CCOc1cccc2c1OCC(=O)NC3CCC(CC3)CC(=O)NC(C(=O)NC(C(=O)NC(Cc4ccc(cc4)NC2)C(=O)NC)Cc5ccccc5)c6ccccc6","InChI=1S/C46H54N6O7/c1-3-58-39-16-10-15-34-28-48-35-21-17-31(18-22-35)26-37(44(55)47-2)50-45(56)38(25-30-11-6-4-7-12-30)51-46(57)42(33-13-8-5-9-14-33)52-40(53)27-32-19-23-36(24-20-32)49-41(54)29-59-43(34)39/h4-18,21-22,32,36-38,42,48H,3,19-20,23-29H2,1-2H3,(H,47,55)(H,49,54)(H,50,56)(H,51,57)(H,52,53)/t32-,36-,37-,38+,42+/m0/s1","4-O-BETA-METHYL-D-GLUCOPYRANOSYL CELLOBIONOLACTAM OXIME","2023-10-17","2024-02-09","","2024-02-14"],["WXX","3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide","C18 H28 N6 O","CCC(CNC(=O)CCC1CCCCC1)Nc1ncnc2[NH]ncc12;CC[CH](CNC(=O)CCC1CCCCC1)Nc2ncnc3[nH]ncc23;CCC(CNC(=O)CCC1CCCCC1)Nc2c3cn[nH]c3ncn2","InChI=1S/C18H28N6O/c1-2-14(23-17-15-11-22-24-18(15)21-12-20-17)10-19-16(25)9-8-13-6-4-3-5-7-13/h11-14H,2-10H2,1H3,(H,19,25)(H2,20,21,22,23,24)/t14-/m1/s1","","2022-10-21","2022-11-04","3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide","2022-11-09"],["WXY","(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone","C16 H20 N4 O","C4CCC3(CCCN3C(c2c1c(ncc1)ncn2)=O)CC4;O=C(N1CCCC12CCCCC2)c3ncnc4[nH]ccc34;c1c[nH]c2c1c(ncn2)C(=O)N3CCCC34CCCCC4","InChI=1S/C16H20N4O/c21-15(13-12-5-9-17-14(12)19-11-18-13)20-10-4-8-16(20)6-2-1-3-7-16/h5,9,11H,1-4,6-8,10H2,(H,17,18,19)","","2020-11-17","2022-07-08","(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone","2022-07-13"],["WXZ","(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid","C17 H15 Cl O2","Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O;OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3;c1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl","InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1","","2023-05-23","2023-06-09","(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid","2023-06-14"],["WY0","(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione","C20 H19 N3 O4","CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2;CCC1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3cccc4c3C5(CC5)CO4","InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1","","2023-10-17","2024-03-29","(5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione","2024-04-03"],["WY1","2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID","C14 H14 Cl N3 O2 S","O=C(O)CSc1nc(cc(Cl)n1)Nc2cccc(c2C)C;Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C;Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl","InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)","","2012-10-02","2014-09-05","({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid","2013-05-29"],["WY2","(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID","C15 H13 N3 O4 S2","O=C(O)C1=NC=C(C(=O)O)C(SC1)c2nc3sc4c(n3c2)CCC4;OC(=O)C1=NC=C([CH](SC1)c2cn3c(sc4CCCc34)n2)C(O)=O;c1c(nc2n1c3c(s2)CCC3)C4C(=CN=C(CS4)C(=O)O)C(=O)O","InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1","","2003-08-21","2024-09-27","(7R)-7-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid",""],["WY3","7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE","C14 H15 N O4","Oc1ccc2C(=CC(=O)Oc2c1)CN3CCOCC3;c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3","InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2","","2015-09-07","2016-04-08","4-(morpholin-4-ylmethyl)-7-oxidanyl-chromen-2-one","2016-04-13"],["WY4","7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID","C13 H13 N3 O4 S","O=C(O)C1=NC=C(C=O)C(SC1)c2nc3n(c2)CCOC3;OC(=O)C1=NC=C(C=O)[CH](SC1)c2cn3CCOCc3n2;c1c(nc2n1CCOC2)C3C(=CN=C(CS3)C(=O)O)C=O","InChI=1S/C13H13N3O4S/c17-5-8-3-14-10(13(18)19)7-21-12(8)9-4-16-1-2-20-6-11(16)15-9/h3-5,12H,1-2,6-7H2,(H,18,19)/t12-/m1/s1","","2003-03-05","2024-09-27","(7R)-7-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro-1,4-thiazepine-3-carboxylic acid",""],["WY5","7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid","C25 H26 O5","Cc1cc2c(cc1c3cc4C=C(C(O)=O)C(=O)Oc4cc3O)C(C)(C)CCC2(C)C;Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)","","2016-09-27","2017-10-27","7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid","2017-11-01"],["WY6","3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide","C18 H22 N6 O","CCC(NC(=O)CCc1ccccc1)CNc1ncnc2nc[NH]c12;CC[CH](CNc1ncnc2nc[nH]c12)NC(=O)CCc3ccccc3;CCC(CNc1c2c(nc[nH]2)ncn1)NC(=O)CCc3ccccc3","InChI=1S/C18H22N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h3-7,11-12,14H,2,8-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1","","2022-10-21","2022-11-04","3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide","2022-11-09"],["WY7","3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine","C13 H10 N6 O2","c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4;Nc1ncn(Cc2cc(on2)c3occc3)c4ncnc14;c1cc(oc1)c2cc(no2)Cn3cnc(c-4ncnc34)N","InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2","","2020-11-17","2022-07-08","3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine","2022-07-13"],["W","TUNGSTEN ION","W","[W+6];[W+6];[W+6]","InChI=1S/W/q+6","","2002-06-21","2019-12-12","tungsten(6+)",""],["WY8","9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","C21 H23 F2 N9 O8 P2 S2","Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](CO[P](S)(=O)O[CH]4[CH]3F)C[CH]5n6cnc7C(=O)NC=Nc67;c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(CC(C5F)COP(=O)(O4)S)n6cnc7c6N=CNC7=O)S)F)N","InChI=1S/C21H23F2N9O8P2S2/c22-11-8-1-9(31-6-30-14-19(31)27-5-28-20(14)33)15(11)39-42(35,44)37-3-10-16(40-41(34,43)36-2-8)12(23)21(38-10)32-7-29-13-17(24)25-4-26-18(13)32/h4-12,15-16,21H,1-3H2,(H,34,43)(H,35,44)(H2,24,25,26)(H,27,28,33)/t8-,9-,10-,11-,12-,15+,16-,21-,41-,42-/m1/s1","","2023-05-23","2023-12-15","9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one","2023-12-20"],["WY9","(5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione","C18 H19 N3 O4","CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2;CCC1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3ccc(c(c3)OC)C","InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1","","2023-10-17","2024-03-29","(5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione","2024-04-03"],["WYA","3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one","C14 H12 N8 O","c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4;CN(Cc1nnc2n1C=CNC2=O)c3ccc4nccnc4n3;CN(Cc1nnc2n1C=CNC2=O)c3ccc4c(n3)nccn4","InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23)","","2020-11-17","2022-07-08","3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one","2022-07-13"],["WYB","2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid)","C11 H6 Cl N3 O6","Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O;OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N;c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N","InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)","Lodoxamide","2022-10-24","2023-10-31","2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid)","2023-02-08"],["WYC","2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid","C18 H12 Cl F6 N O3 S","OC(=O)c1cc(Cl)ccc1NC(=O)CSCc2cc(cc(c2)C(F)(F)F)C(F)(F)F;c1cc(c(cc1Cl)C(=O)O)NC(=O)CSCc2cc(cc(c2)C(F)(F)F)C(F)(F)F","InChI=1S/C18H12ClF6NO3S/c19-12-1-2-14(13(6-12)16(28)29)26-15(27)8-30-7-9-3-10(17(20,21)22)5-11(4-9)18(23,24)25/h1-6H,7-8H2,(H,26,27)(H,28,29)","","2023-05-23","2024-03-01","2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid","2024-03-06"],["WYD","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide","C30 H43 N5 O11","CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(c4)C#CCN)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O;CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C","InChI=1S/C30H43N5O11/c1-3-10-42-29-23(32-17(2)38)25(40)27(22(15-37)45-29)46-30-26(41)28(24(39)21(14-36)44-30)43-16-20-13-35(34-33-20)12-19-7-4-6-18(11-19)8-5-9-31/h4,6-7,11,13,21-30,36-37,39-41H,3,9-10,12,14-16,31H2,1-2H3,(H,32,38)/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1","","2017-01-20","2018-02-23","~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide","2018-02-28"],["WYE","(2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one","C22 H22 N4 O4","CN1CCN(CC1)c2ccnc3n(C)cc(C=C4Oc5cc(O)cc(O)c5C4=O)c23;Cn1cc(c2c1nccc2N3CCN(CC3)C)C=C4C(=O)c5c(cc(cc5O4)O)O","InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-","","2010-02-10","2011-06-04","(2Z)-4,6-dihydroxy-2-[[1-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-1-benzofuran-3-one",""],["WYF","(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one","C21 H18 N2 O5","O=C1c5c(O)cc(O)cc5O/C1=Cc3c2cc(OC)ccc2n4c3CNCC4;COc1ccc2n3CCNCc3c(C=C4Oc5cc(O)cc(O)c5C4=O)c2c1;COc1ccc2c(c1)c(c3n2CCNC3)C=C4C(=O)c5c(cc(cc5O4)O)O","InChI=1S/C21H18N2O5/c1-27-12-2-3-15-13(8-12)14(16-10-22-4-5-23(15)16)9-19-21(26)20-17(25)6-11(24)7-18(20)28-19/h2-3,6-9,22,24-25H,4-5,10H2,1H3/b19-9-","","2010-04-20","2011-06-04","(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one",""],["WYG","[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid","C12 H14 N4 O3","c3cc2c(N1CC(CC(=O)O)OCC1)ncnc2n3;OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCOC(C3)CC(=O)O","InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m1/s1","","2020-11-17","2022-07-08","[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid","2022-07-13"],["WYH","2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","C11 H12 N2","C1Cc2c(CN1)[nH]c3ccccc23;c1ccc2c(c1)c3c([nH]2)CNCC3","InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2","","2022-07-05","2023-07-07","2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole","2023-07-12"],["WYI","(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate","C27 H36 N10 O3","CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)N1CC(CN)OCC1)c1ccccc1;Cn1nc(Nc2nc(N[CH](COC(=O)N3CCO[CH](CN)C3)c4ccccc4)nc5[nH]ncc25)cc1C(C)(C)C;CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)NC(COC(=O)N4CCOC(C4)CN)c5ccccc5","InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18-,20+/m1/s1","","2022-10-24","2022-11-04","(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate","2022-11-09"],["WYJ","[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol","C16 H18 N4 O2","c4cc2c(c1c(ncnc1n2)N3CC(C)OC(CO)C3)cc4;C[CH]1CN(C[CH](CO)O1)c2ncnc3[nH]c4ccccc4c23;CC1CN(CC(O1)CO)c2c3c4ccccc4[nH]c3ncn2","InChI=1S/C16H18N4O2/c1-10-6-20(7-11(8-21)22-10)16-14-12-4-2-3-5-13(12)19-15(14)17-9-18-16/h2-5,9-11,21H,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1","","2020-11-17","2022-07-08","[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol","2022-07-13"],["WYK","(2S,4S)-4-hydroxy-L-arginine","C6 H14 N4 O3","N[CH](C[CH](O)CNC(N)=N)C(O)=O;C(C(CNC(=N)N)O)C(C(=O)O)N","InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1","(2S,4S)-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid","2023-05-23","2024-09-27","(2~{S},4~{S})-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid","2023-08-09"],["WYL","(2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H62 N14 O6 S2","CC(C)[CH](n1cc(OCCCCN2CCCN([CH](C)C2)c3nccc(n3)c4noc(n4)[C]5(C)CCCc6sc(N)c(C#N)c56)nn1)C(=O)N7C[CH](O)C[CH]7C(=O)N[CH](CO)c8ccc(cc8)c9scnc9C;Cc1c(scn1)c2ccc(cc2)C(CO)NC(=O)C3CC(CN3C(=O)C(C(C)C)n4cc(nn4)OCCCCN5CCCN(C(C5)C)c6nccc(n6)c7nc(on7)C8(CCCc9c8c(c(s9)N)C#N)C)O","InChI=1S/C50H62N14O6S2/c1-29(2)42(47(68)63-25-34(66)22-38(63)46(67)55-37(27-65)32-11-13-33(14-12-32)43-31(4)54-28-71-43)64-26-40(58-60-64)69-21-7-6-18-61-19-9-20-62(30(3)24-61)49-53-17-15-36(56-49)45-57-48(70-59-45)50(5)16-8-10-39-41(50)35(23-51)44(52)72-39/h11-15,17,26,28-30,34,37-38,42,65-66H,6-10,16,18-22,24-25,27,52H2,1-5H3,(H,55,67)/t30-,34+,37-,38-,42-,50-/m0/s1","","2023-10-17","2023-12-01","(2~{S},4~{R})-1-[(2~{S})-2-[4-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1~{R})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-12-06"],["WYN","quinalphos","C12 H15 N2 O3 P S","CCOP(=S)(OCC)Oc1cnc2ccccc2n1;CCO[P](=S)(OCC)Oc1cnc2ccccc2n1;CCOP(=S)(OCC)Oc1cnc2ccccc2n1","InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3","O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate","2022-10-24","2023-10-20","O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate","2023-10-25"],["WYO","(1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid","C14 H16 Cl2 O3","O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1;OC(=O)[CH]1CCCC[CH]1COc2ccc(Cl)c(Cl)c2;c1cc(c(cc1OCC2CCCCC2C(=O)O)Cl)Cl","InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m0/s1","","2023-05-23","2023-06-09","(1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid","2023-06-14"],["WYP","5-Ethynyl-10,20-diphenylporphyrin containing FE","C34 H20 Fe N4","C#CC1=C2C=CC3=C(c4ccccc4)C5=NC(=Cc6ccc(n6[Fe][N]23)C(=C7C=CC1=N7)c8ccccc8)C=C5;C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1","InChI=1S/C34H20N4.Fe/c1-2-26-27-17-19-31(37-27)33(22-9-5-3-6-10-22)29-15-13-24(35-29)21-25-14-16-30(36-25)34(23-11-7-4-8-12-23)32-20-18-28(26)38-32;/h1,3-21H;/q-2;+2/b24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-;","","2017-05-19","2017-12-01","","2017-12-06"],["WYQ","propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate","C21 H27 N5 O6 S","O=C(OC(C)C)NS(=O)(=O)c3cc(C1=Nc2c(C(=O)N1)n(nc2CCC)C)c(OCC)cc3;CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)NC(=O)OC(C)C;CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C","InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27)","","2012-01-06","2012-02-17","propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate",""],["WYR","N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide","C34 H46 F N5 O7","Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)C(=O)NC(C)C;CC(C)C[CH](NC(=O)[CH](Cc1ccc(F)cc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC(C)C;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC(C)C)O)NC(=O)C(Cc2ccc(cc2)F)NC(=O)OCc3ccccc3","InChI=1S/C34H46FN5O7/c1-20(2)16-27(31(43)38-26(18-24-14-15-36-30(24)42)29(41)33(45)37-21(3)4)39-32(44)28(17-22-10-12-25(35)13-11-22)40-34(46)47-19-23-8-6-5-7-9-23/h5-13,20-21,24,26-29,41H,14-19H2,1-4H3,(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,40,46)/t24-,26-,27-,28-,29+/m0/s1","GSK3487016A","2023-10-17","2024-09-27","N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide","2024-02-14"],["WYS","parathion","C10 H14 N O5 P S","S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC;CCO[P](=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O;CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3","O,O-diethyl O-(4-nitrophenyl) phosphorothioate","2022-10-24","2026-04-06","O,O-diethyl O-(4-nitrophenyl) phosphorothioate","2023-10-25"],["WYT","~{N}-[3-[5-chloranyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxyphenyl]propanamide","C25 H29 Cl N6 O3","CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N4CCN(C)CC4)ncc2Cl)c1;CCC(=O)Nc1cccc(c1)Oc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)Cl","InChI=1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)","","2023-05-24","2024-05-31","~{N}-[3-[5-chloranyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxyphenyl]propanamide","2024-06-05"],["WYU","(4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile","C22 H26 N8 O S","C[CH]1CNCCCN1c2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45;CC1CNCCCN1c2nccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C","InChI=1S/C22H26N8OS/c1-13-12-25-8-4-10-30(13)21-26-9-6-15(27-21)19-28-20(31-29-19)22(2)7-3-5-16-17(22)14(11-23)18(24)32-16/h6,9,13,25H,3-5,7-8,10,12,24H2,1-2H3/t13-,22-/m0/s1","","2023-10-17","2023-12-01","(4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile","2023-12-06"],["WYV","myristoyl coenzyme A","C35 H62 N7 O17 P3 S","n1c(c2c(nc1)n(cn2)C3C(C(C(COP(OP(OCC(C)(C)C(C(=O)NCCC(NCCSC(CCCCCCCCCCCCC)=O)=O)O)(=O)O)(O)=O)O3)OP(O)(O)=O)O)N;CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O","InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30?,34-/m1/s1","~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tetradecanethioate","2020-11-17","2022-01-28","S-{(3R,5R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)","2022-02-02"],["WYW","triazophos","C12 H16 N3 O3 P S","CCOP(=S)(OCC)Oc1ncn(n1)c1ccccc1;CCO[P](=S)(OCC)Oc1ncn(n1)c2ccccc2;CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2","InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3","O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate","2022-10-24","2023-10-20","O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate","2023-10-25"],["WYX","5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one","C21 H24 N8 O","CN1C(=O)c2ccccc2N(C)c3nc(Nc4cnn(c4)C5CCNCC5)ncc13;CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4cnn(c4)C5CCNCC5)C","InChI=1S/C21H24N8O/c1-27-17-6-4-3-5-16(17)20(30)28(2)18-12-23-21(26-19(18)27)25-14-11-24-29(13-14)15-7-9-22-10-8-15/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,25,26)","","2023-05-24","2024-05-31","5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one","2024-06-05"],["WYY","3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid","C14 H18 N4 O2","c13c(ncnc1N2CCCC(CCC(O)=O)C2)ncc3;OC(=O)CC[CH]1CCCN(C1)c2ncnc3[nH]ccc23;c1c[nH]c2c1c(ncn2)N3CCCC(C3)CCC(=O)O","InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m0/s1","","2020-11-18","2022-07-08","3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid","2022-07-13"],["WYZ","2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid","C21 H21 N3 O7 S2","N[S](=O)(=O)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)[S](=O)(=O)c3cccnc3)cc1;c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)S(=O)(=O)N)S(=O)(=O)c3cccnc3","InChI=1S/C21H21N3O7S2/c22-32(27,28)19-8-6-16(7-9-19)13-24(33(29,30)20-5-2-10-23-12-20)14-17-3-1-4-18(11-17)31-15-21(25)26/h1-12H,13-15H2,(H,25,26)(H2,22,27,28)","2-(3-((N-(4-sulfamoylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid","2023-10-17","2024-10-18","2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid","2024-10-23"],["WZ0","coumaphos","C14 H16 Cl O5 P S","CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C;CCO[P](=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C;CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(=C2C)Cl","InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3","O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate","2022-10-24","2023-10-20","O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate","2023-10-25"],["WZ1","methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside","C13 H24 O10 S","S(C1C(O)C(OC)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO;CO[CH]1O[CH](CO)[CH](O)[CH](S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O;COC1C(C(C(C(O1)CO)O)SC2C(C(C(C(O2)CO)O)O)O)O","InChI=1S/C13H24O10S/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1","Methyl(alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside","2008-01-09","2020-07-17","methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside",""],["WZ2","methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside","C19 H34 O15 S","S(C2C(O)C(OC)OC(COC1OC(CO)C(O)C(O)C1O)C2O)C3OC(C(O)C(O)C3O)CO;CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O;COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)SC3C(C(C(C(O3)CO)O)O)O)O","InChI=1S/C19H34O15S/c1-30-17-15(29)16(35-19-14(28)12(26)9(23)6(3-21)34-19)10(24)7(33-17)4-31-18-13(27)11(25)8(22)5(2-20)32-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1","Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside","2008-01-09","2020-07-17","methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside",""],["WZ4","methyl\n2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio\n-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside","C33 H57 N O25 S","O=C(NC5C(O)C(O)C(OC5OC4C(O)C(O)C(OC4OC1C(O)C(OC(OC)C1O)COC3OC(CSC2OC(C(O)C(O)C2O)CO)C(O)C(O)C3O)CO)CO)C;CO[CH]1O[CH](CO[CH]2O[CH](CS[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5NC(C)=O)[CH]1O;CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2OC3C(C(OC(C3O)OC)COC4C(C(C(C(O4)CSC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O","InChI=1S/C33H57NO25S/c1-8(38)34-14-20(44)15(39)9(3-35)53-29(14)59-28-23(47)17(41)10(4-36)54-32(28)58-27-19(43)12(55-30(51-2)26(27)50)6-52-31-24(48)21(45)18(42)13(56-31)7-60-33-25(49)22(46)16(40)11(5-37)57-33/h9-33,35-37,39-50H,3-7H2,1-2H3,(H,34,38)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32-,33-/m1/s1","Methyl(2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[ALPHA-D-MANNOPYRANOSYL-(1->6)-6\n-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE","2008-01-11","2020-07-17","methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside",""],["WZ6","1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid","C27 H31 F3 N2 O4","CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(O)=O)C(C)(C)CCC2(C)C;CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C","InChI=1S/C27H31F3N2O4/c1-6-35-11-12-36-22-15-18-17(25(2,3)9-10-26(18,4)5)14-21(22)32-20-8-7-16(23(33)34)13-19(20)31-24(32)27(28,29)30/h7-8,13-15H,6,9-12H2,1-5H3,(H,33,34)","","2020-06-30","2021-01-01","1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid","2021-01-06"],["WZ7","2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide","C11 H13 N3 O","c2cnc(NC1CC=CC1)cc2C(=O)N;NC(=O)c1ccnc(NC2CC=CC2)c1;c1cnc(cc1C(=O)N)NC2CC=CC2","InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)","","2020-11-18","2021-06-25","2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide","2021-06-30"],["WZ8","2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine","C23 H28 N8 O","CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12;CC(C)c1cnn2c1nc(nc2NCc3ccccc3n4cccn4)OC5CCCNC5","InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1","","2023-05-24","2023-06-09","2-[(3~{R})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine","2023-06-14"],["WZ9","7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one","C14 H13 N3 O","Nc1cccc2N(Cc3ccccc3)C(=O)Nc12;c1ccc(cc1)CN2c3cccc(c3NC2=O)N","InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)","","2023-10-17","2024-03-22","7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one","2024-03-27"],["WZA","(9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE","C19 H27 N O5 S","O=S(=O)(Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C)N;COc1cc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCc2cc1O[S](N)(=O)=O;CC12CCC3c4cc(c(cc4CCC3C1CCC2O)OS(=O)(=O)N)OC","InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1","","2009-12-03","2011-06-04","(9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate",""],["WZB","(9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE","C20 H30 N2 O6 S2","O=S(=O)(Oc1cc4c(cc1CC)C3CCC2(C(CCC2OS(=O)(=O)N)C3CC4)C)N;CCc1cc2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O[S](N)(=O)=O)O[S](N)(=O)=O;CCc1cc2c(cc1OS(=O)(=O)N)CCC3C2CCC4(C3CCC4OS(=O)(=O)N)C","InChI=1S/C20H30N2O6S2/c1-3-12-10-16-13(11-18(12)27-29(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)28-30(22,25)26/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,21,23,24)(H2,22,25,26)/t14-,15+,17-,19-,20-/m0/s1","2-ETHYLESTRADIOL 3,17-O,O-BIS-SULFAMATE","2009-11-23","2021-03-13","(9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate",""],["WZC","(13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE","C19 H27 N O5 S","O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N;COc1cc2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O)O[S](N)(=O)=O;CC12CCC3c4cc(c(cc4CCC3C1CCC2OS(=O)(=O)N)O)OC","InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1","2-METHOXYESTRADIOL 17-O-SULFAMATE","2009-11-23","2021-03-01","(13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate",""],["WZD","N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine","C12 H11 N3 O","c1cccc2c1nc(n2)NCc3ccco3;C(Nc1[nH]c2ccccc2n1)c3occc3;c1ccc2c(c1)[nH]c(n2)NCc3ccco3","InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)","","2020-11-18","2020-12-18","N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine","2020-12-23"],["WZF","7-(2-phenylethoxy)quinazolin-2-amine","C16 H15 N3 O","Nc1ncc2ccc(OCCc3ccccc3)cc2n1;c1ccc(cc1)CCOc2ccc3cnc(nc3c2)N","InChI=1S/C16H15N3O/c17-16-18-11-13-6-7-14(10-15(13)19-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,17,18,19)","","2023-05-24","2024-06-07","7-(2-phenylethoxy)quinazolin-2-amine","2024-06-12"],["WZG","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)","C22 H38 N7 O16 P3 S","n2cnc1n(cnc1c2N)C3C(C(C(O3)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCSC)=O)OP(O)(=O)O)O;CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23;CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC)O","InChI=1S/C22H38N7O16P3S/c1-22(2,17(32)20(33)25-5-4-13(30)24-6-7-49-3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1","","2020-11-19","2021-06-11","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)","2021-06-16"],["WZH","2-[5-cyano-4-(4-methylphenyl)-6-oxidanyl-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide","C20 H17 N5 O4 S2","Cc1ccc(cc1)c2nc(SCC(=O)Nc3ccc(cc3)[S](N)(=O)=O)nc(O)c2C#N;Cc1ccc(cc1)c2c(c(nc(n2)SCC(=O)Nc3ccc(cc3)S(=O)(=O)N)O)C#N","InChI=1S/C20H17N5O4S2/c1-12-2-4-13(5-3-12)18-16(10-21)19(27)25-20(24-18)30-11-17(26)23-14-6-8-15(9-7-14)31(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)","2-((5-cyano-4-hydroxy-6-(p-tolyl)pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide","2023-10-17","2024-10-18","2-[5-cyano-4-(4-methylphenyl)-6-oxidanyl-pyrimidin-2-yl]sulfanyl-~{N}-(4-sulfamoylphenyl)ethanamide","2024-10-23"],["WZJ","N-methyl-L-alloisoleucine","C7 H15 N O2","N(C)C(C(=O)O)C(C)CC;CC[CH](C)[CH](NC)C(O)=O;CCC(C)C(C(=O)O)NC","InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m1/s1","","2020-11-19","2024-09-27","N-methyl-L-alloisoleucine","2020-12-30"],["WZK","N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide","C24 H22 Cl N3 O2 S","Clc1cc(CN(C(=O)Cc2cncc3cccc(O)c32)c2ccc(cc2)N(C)C)sc1;CN(C)c1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4cccc(O)c34;CN(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3c(ccc4)O","InChI=1S/C24H22ClN3O2S/c1-27(2)19-6-8-20(9-7-19)28(14-21-11-18(25)15-31-21)23(30)10-17-13-26-12-16-4-3-5-22(29)24(16)17/h3-9,11-13,15,29H,10,14H2,1-2H3","","2023-05-24","2023-08-25","N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide","2023-08-30"],["WZL","7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one","C14 H11 Br N2 O","Brc1cccc2N(Cc3ccccc3)C(=O)Nc12;c1ccc(cc1)CN2c3cccc(c3NC2=O)Br","InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)","","2023-10-17","2024-03-22","7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one","2024-03-27"],["WZM","6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide","C10 H14 N4 O","c1(ccc(nn1)N(C)C2CCC2)C(=O)N;CN(C1CCC1)c2ccc(nn2)C(N)=O;CN(c1ccc(nn1)C(=O)N)C2CCC2","InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)","","2020-11-19","2021-06-25","6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide","2021-06-30"],["WZN","{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","C54 H47 Ir N7 O3","CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1;CC(C)(C)OC(=O)N[CH](Cc1ccncc1)C(=O)NCc2ccc(nc2)c3ccccn3.[Ir+](c4ccccc4c5ccc6ccccc6n5)c7ccccc7c8ccc9ccccc9n8;CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCC2=C[N]3=C(C=C2)C4=CC=CC=[N]4[Ir+]356(c7ccccc7C8=[N]5c9ccccc9C=C8)c1ccccc1C1=CC=C2C=CC=CC2=[N]61","InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h4-13,15,21H,14,16H2,1-3H3,(H,28,30)(H,29,31);2*1-6,8-11H;/q;;;+1/t21-;;;/m0.../s1","","2022-10-24","2023-01-27","{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","2023-02-01"],["WZO","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate","C12 H21 N5 O13 P3 S","CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N;C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP(=O)(O)O)S)O)OC","InChI=1S/C12H20N5O13P3S/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1","","2016-10-28","2017-12-15","[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate","2017-12-20"],["WZP","2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one","C11 H22 N2 O","C1CN(C(C(C)C)=O)CCN1C(C)C;CC(C)N1CCN(CC1)C(=O)C(C)C;CC(C)C(=O)N1CCN(CC1)C(C)C","InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3","","2020-11-19","2021-06-25","2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one","2021-06-30"],["WZQ","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide","C21 H31 N5 O3 S","O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCNCc3cc4CCCOc4cn3;c1c2c(cnc1CNCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)OCCC2","InChI=1S/C21H31N5O3S/c27-19(6-2-1-5-18-20-16(13-30-18)25-21(28)26-20)23-8-7-22-11-15-10-14-4-3-9-29-17(14)12-24-15/h10,12,16,18,20,22H,1-9,11,13H2,(H,23,27)(H2,25,26,28)/t16-,18-,20-/m0/s1","","2023-05-26","2023-09-08","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide","2023-09-13"],["WZR","(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one","C15 H13 N O2","Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3;c1ccc(cc1)C2CC(=O)Nc3c2ccc(c3)O","InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1","","2023-10-17","2024-03-22","(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one","2024-03-27"],["WZS","1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one","C15 H22 N2 O","c2c(CCNC1CCN(C(C)=O)CC1)cccc2;CC(=O)N1CCC(CC1)NCCc2ccccc2;CC(=O)N1CCC(CC1)NCCc2ccccc2","InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3","","2020-11-19","2021-06-25","1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one","2021-06-30"],["WZT","(phenylmethyl) dihydrogen phosphate","C7 H9 O4 P","O[P](O)(=O)OCc1ccccc1;c1ccc(cc1)COP(=O)(O)O","InChI=1S/C7H9O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)","","2021-02-09","2021-12-17","(phenylmethyl) dihydrogen phosphate","2021-12-22"],["WZU","(7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione","C18 H22 N6 O3","O=C1NCCCNC(=O)OC2CC(CC2)c2cc(n[NH]2)Nc2cccc1n2;O=C1NCCCNC(=O)c2cccc(Nc3cc([nH]n3)[CH]4CC[CH](C4)O1)n2;c1cc2nc(c1)Nc3cc([nH]n3)C4CCC(C4)OC(=O)NCCCNC2=O","InChI=1S/C18H22N6O3/c25-17-13-3-1-4-15(21-13)22-16-10-14(23-24-16)11-5-6-12(9-11)27-18(26)20-8-2-7-19-17/h1,3-4,10-12H,2,5-9H2,(H,19,25)(H,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1","","2022-10-25","2023-02-17","(7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3,6(25),19,21-pentaene-12,18-dione","2023-02-22"],["WZV","5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide","C20 H20 F3 N5 O3","O=C3N(C(=NC(c2cccc(NC(=O)c1ncc(OCC(F)(F)F)cc1)c2)(C)C3)N)C;CN1C(=N[C](C)(CC1=O)c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cn3)c2)N;CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F","InChI=1S/C20H20F3N5O3/c1-19(9-16(29)28(2)18(24)27-19)12-4-3-5-13(8-12)26-17(30)15-7-6-14(10-25-15)31-11-20(21,22)23/h3-8,10H,9,11H2,1-2H3,(H2,24,27)(H,26,30)/t19-/m0/s1","","2013-01-23","2014-09-05","N-{3-[(4S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl]phenyl}-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide","2013-05-29"],["WZW","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid","C23 H30 N13 O13 P2","NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4cc[n](c4N)[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH](O)[CH]3O;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N","InChI=1S/C23H30N13O13P2/c24-16-10-17(28-5-27-16)33(6-29-10)20-14(39)12(37)8(48-20)3-46-50(42,43)35-1-2-36(23(35)26)51(44,45)47-4-9-13(38)15(40)21(49-9)34-7-30-11-18(34)31-22(25)32-19(11)41/h1-2,5-9,12-15,20-21,37-40H,3-4,26H2,(H,42,43)(H,44,45)(H2,24,27,28)(H3,25,31,32,41)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1","","2023-05-25","2023-05-26","[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid","2023-05-31"],["WZX","ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate","C12 H14 N2 O3","CCOC(=O)CN1CC(=O)Nc2ccccc12;CCOC(=O)CN1CC(=O)Nc2c1cccc2","InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)","","2023-10-17","2024-03-22","ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate","2024-03-27"],["WZY","N-(4-methoxyphenyl)glycinamide","C9 H12 N2 O2","N(c1ccc(cc1)OC)C(CN)=O;COc1ccc(NC(=O)CN)cc1;COc1ccc(cc1)NC(=O)CN","InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)","","2020-11-19","2021-06-25","N-(4-methoxyphenyl)glycinamide","2021-06-30"],["WZZ","(1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate","C17 H23 N5 O2","CC(C)NC(=O)OC1CCC(C1)c1cc(Nc2ncccc2)n[NH]1;CC(C)NC(=O)O[CH]1CC[CH](C1)c2[nH]nc(Nc3ccccn3)c2;CC(C)NC(=O)OC1CCC(C1)c2cc(n[nH]2)Nc3ccccn3","InChI=1S/C17H23N5O2/c1-11(2)19-17(23)24-13-7-6-12(9-13)14-10-16(22-21-14)20-15-5-3-4-8-18-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,19,23)(H2,18,20,21,22)/t12-,13+/m0/s1","","2022-10-25","2023-02-17","(1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate","2023-02-22"],["X00","{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)","C44 H58 N4 O3 S2 Si2","O=C(c1cc(cc(SC)c1)[Si](O[Si](c4cc(C(=O)N3CCC(c2cccc(c2)CN)CC3)cc(SC)c4)(C)C)(C)C)N6CCC(c5cccc(c5)CN)CC6;CSc1cc(cc(c1)[Si](C)(C)O[Si](C)(C)c2cc(SC)cc(c2)C(=O)N3CCC(CC3)c4cccc(CN)c4)C(=O)N5CCC(CC5)c6cccc(CN)c6;C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN","InChI=1S/C44H58N4O3S2Si2/c1-52-39-23-37(43(49)47-17-13-33(14-18-47)35-11-7-9-31(21-35)29-45)25-41(27-39)54(3,4)51-55(5,6)42-26-38(24-40(28-42)53-2)44(50)48-19-15-34(16-20-48)36-12-8-10-32(22-36)30-46/h7-12,21-28,33-34H,13-20,29-30,45-46H2,1-6H3","","2013-09-17","2015-03-13","{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)","2015-03-18"],["X01","3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile","C10 H7 N5 O","N#Cc1cc(c(O)cc1)c2ncnc(n2)N;Nc1ncnc(n1)c2cc(ccc2O)C#N;c1cc(c(cc1C#N)c2ncnc(n2)N)O","InChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15)","","2011-02-08","2012-08-03","3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile",""],["X02","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone","C13 H13 N3 O S","O=C(c1sc(nc1N)NC/C=C)c2ccccc2;Nc1nc(NCC=C)sc1C(=O)c2ccccc2;C=CCNc1nc(c(s1)C(=O)c2ccccc2)N","InChI=1S/C13H13N3OS/c1-2-8-15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h2-7H,1,8,14H2,(H,15,16)","","2011-02-17","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone","2012-10-26"],["X03","(5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide","C13 H22 N4 O","O=C(c1nnc2c1CC(CC2)C(C)(C)CC)NN;CCC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1;CCC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1","InChI=1S/C13H22N4O/c1-4-13(2,3)8-5-6-10-9(7-8)11(17-16-10)12(18)15-14/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)/t8-/m1/s1","","2011-02-17","2012-08-03","(5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide",""],["X04","(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE","C8 H11 N2 O6 P","O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C;Cc1nc(N)c(CO[P](O)(O)=O)c(C=O)c1O;Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O","InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15)","6-AMINO-PYRIDOXAL-5'-PHOSPHATE","2003-10-27","2024-09-27","(2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate",""],["X05","AMINO-CASTANOSPERMINE","C8 H16 N2 O3","OC1CCN2C1C(O)C(O)C(N)C2;N[CH]1CN2CC[CH](O)[CH]2[CH](O)[CH]1O;C1CN2CC(C(C(C2C1O)O)O)N","InChI=1S/C8H16N2O3/c9-4-3-10-2-1-5(11)6(10)8(13)7(4)12/h4-8,11-13H,1-3,9H2/t4-,5-,6+,7+,8+/m0/s1","(1S,6S,7R,8R,8AR)-6-AMINOOCTAHYDROINDOLIZINE-1,7,8-TRIOL","2009-12-05","2021-03-13","(1S,6S,7R,8R,8aR)-6-aminooctahydroindolizine-1,7,8-triol",""],["X06","4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol","C9 H8 Cl N5 O","Clc1cc(c(O)cc1)c2nc(nc(n2)N)N;Nc1nc(N)nc(n1)c2cc(Cl)ccc2O;c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O","InChI=1S/C9H8ClN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)","","2011-02-17","2012-08-03","4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol",""],["X07","5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C13 H12 N4 O3","[O-][N+](=O)c2ccc(NCc1cccnc1)c(C(=O)N)c2;NC(=O)c1cc(ccc1NCc2cccnc2)[N+]([O-])=O;c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]","InChI=1S/C13H12N4O3/c14-13(18)11-6-10(17(19)20)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H2,14,18)","","2011-02-17","2012-08-03","5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X08","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide","C19 H29 N5 O2 S","Cc1ccc(CNCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)nc1;Cc1ccc(nc1)CNCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3","InChI=1S/C19H29N5O2S/c1-13-6-7-14(22-10-13)11-20-8-9-21-17(25)5-3-2-4-16-18-15(12-27-16)23-19(26)24-18/h6-7,10,15-16,18,20H,2-5,8-9,11-12H2,1H3,(H,21,25)(H2,23,24,26)/t15-,16-,18-/m0/s1","","2023-05-26","2023-09-08","5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide","2023-09-13"],["X09","AMINO-AUSTRALINE","C8 H16 N2 O3","OC2C1N(C(C(O)C1O)CN)CC2;NC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCN12;C1CN2C(C(C(C2C1O)O)O)CN","InChI=1S/C8H16N2O3/c9-3-4-7(12)8(13)6-5(11)1-2-10(4)6/h4-8,11-13H,1-3,9H2/t4-,5+,6-,7-,8-/m1/s1","(1R,2R,3R,7S,7AR)-3-(AMINOMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,7-TRIOL","2009-12-07","2020-06-17","(1R,2R,3R,7S,7aR)-3-(aminomethyl)hexahydro-1H-pyrrolizine-1,2,7-triol",""],["X0A","2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol","C15 H12 Cl N5 O","Clc3cc(c1nc(nc(n1)Nc2ccccc2)N)c(O)cc3;Nc1nc(Nc2ccccc2)nc(n1)c3cc(Cl)ccc3O;c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl","InChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21)","","2011-02-17","2012-08-03","2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol",""],["X0B","5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid","C31 H29 N5 O3 S2","O=C(O)c1nc(sc1CCCOc2ccc(cc2)CN)c3ccc6c(c3)/C(=N/Nc4nc5ccccc5s4)CCC6;NCc1ccc(OCCCc2sc(nc2C(O)=O)c3ccc4CCCC(=NNc5sc6ccccc6n5)c4c3)cc1;c1ccc2c(c1)nc(s2)NN=C3CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O","InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+","","2013-02-04","2014-09-05","5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid","2013-04-24"],["X0D","(R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID","C26 H28 F2 N2 O4 S","Fc2cc(F)ccc2C#Cc1cccc(C(=O)N(C(=O)NC(C(=O)O)CSCC(C)C)CCC)c1;CCCN(C(=O)N[CH](CSCC(C)C)C(O)=O)C(=O)c1cccc(c1)C#Cc2ccc(F)cc2F;CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)NC(CSCC(C)C)C(=O)O","InChI=1S/C26H28F2N2O4S/c1-4-12-30(26(34)29-23(25(32)33)16-35-15-17(2)3)24(31)20-7-5-6-18(13-20)8-9-19-10-11-21(27)14-22(19)28/h5-7,10-11,13-14,17,23H,4,12,15-16H2,1-3H3,(H,29,34)(H,32,33)/t23-/m0/s1","","2013-09-10","2014-09-05","N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-S-(2-methylpropyl)-L-cysteine","2014-02-05"],["X0E","{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium","C54 H47 Ir N7 O3","CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1;CC(C)(C)OC(=O)N[CH](Cc1ccncc1)C(=O)NCc2ccc(nc2)c3ccccn3.[Ir+](c4ccccc4c5ccc6ccccc6n5)c7ccccc7c8ccc9ccccc9n8;CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCC2=C[N]3=C(C=C2)C4=CC=CC=[N]4[Ir+]356(c7ccccc7C8=[N]5c9ccccc9C=C8)c1ccccc1C1=CC=C2C=CC=CC2=[N]61","InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h4-13,15,21H,14,16H2,1-3H3,(H,28,30)(H,29,31);2*1-6,8-11H;/q;;;+1/t21-;;;/m1.../s1","","2022-10-25","2023-01-27","{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","2023-02-01"],["X0F","2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate)","C10 H16 N5 O14 P3","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)NC(=O)N=C32)C(O)C1O;NC1=C2N=CN([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C2=NC(=O)N1;C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1","","2023-05-25","2023-12-22","2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate)","2023-12-27"],["X0G","4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine","C10 H15 N3 O2","C3N(Cc1nc(no1)C2CC2)CCOC3;C1CN(CCO1)Cc2onc(n2)C3CC3;C1CC1c2nc(on2)CN3CCOCC3","InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2","","2020-11-19","2021-06-25","4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine","2021-06-30"],["X0H","methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate","C12 H11 N O3","COC(=O)CC1=CC(=O)Nc2ccccc12;COC(=O)CC1=CC(=O)Nc2c1cccc2","InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14)","","2023-10-17","2024-03-22","methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate","2024-03-27"],["X0I","(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","C20 H20 F3 N3 O3","O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1;ONC(=O)[CH](NC(=O)NC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)NC3CCCC3","InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1","","2022-10-25","2023-01-13","(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide","2023-01-18"],["X0J","4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide","C42 H46 N6 O5 S2","[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4cc(c3ccccc3)ccc4)CC5)cc6;CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6;CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6","InChI=1S/C42H46N6O5S2/c1-45(2)23-22-36(31-54-38-14-7-4-8-15-38)43-40-21-20-39(29-41(40)48(50)51)55(52,53)44-42(49)34-16-18-37(19-17-34)47-26-24-46(25-27-47)30-32-10-9-13-35(28-32)33-11-5-3-6-12-33/h3-21,28-29,36,43H,22-27,30-31H2,1-2H3,(H,44,49)/t36-/m1/s1","","2009-08-19","2011-06-04","4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide",""],["X0K","[(2~{S})-2-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propyl] dihydrogen phosphite","C28 H23 O5 P","O[CH](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)COP(O)O;c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COCC(COP(O)O)O","InChI=1S/C28H23O5P/c29-25(18-33-34(30)31)17-32-16-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29-31H,16-18H2/t25-/m0/s1","","2023-05-26","2024-01-12","[(2~{S})-2-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propyl] dihydrogen phosphite","2024-01-17"],["X0L","4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione","C16 H14 N2 O2","Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1;Cc1ccc(cc1)CN2c3ccccc3NC(=O)C2=O","InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)","","2023-10-17","2024-03-22","4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione","2024-03-27"],["X0M","N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide","C11 H14 N2 O","c2c1CC(CNc1ccc2)NC(C)=O;CC(=O)N[CH]1CNc2ccccc2C1;CC(=O)NC1Cc2ccccc2NC1","InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1","","2020-11-19","2021-06-25","N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide","2021-06-30"],["X0O","[[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","C10 H18 N3 O14 P3","CN1C=C([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=NC1=O)N;CN1C=C(C(=NC1=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1","","2023-05-25","2023-12-22","[[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","2023-12-27"],["X0P","2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid","C30 H30 N2 O5","O=C(NCc1ccc(OC)cc1)c2cc4c(cc2CN(C)Cc3cccc(OC)c3C(=O)O)cccc4;COc1ccc(CNC(=O)c2cc3ccccc3cc2CN(C)Cc4cccc(OC)c4C(O)=O)cc1;CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC","InChI=1S/C30H30N2O5/c1-32(18-23-9-6-10-27(37-3)28(23)30(34)35)19-24-15-21-7-4-5-8-22(21)16-26(24)29(33)31-17-20-11-13-25(36-2)14-12-20/h4-16H,17-19H2,1-3H3,(H,31,33)(H,34,35)","","2013-12-07","2014-09-05","2-methoxy-6-{[({3-[(4-methoxybenzyl)carbamoyl]naphthalen-2-yl}methyl)(methyl)amino]methyl}benzoic acid","2014-01-08"],["X0Q","5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","C13 H9 N5 O2 S2","O=S(=O)(c3sc(c2nnn(c1cc(C#N)ccc1)c2)cc3)N;N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc(c3)C#N;c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N","InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20)","","2013-03-15","2014-09-05","5-[1-(3-cyanophenyl)-1H-1,2,3-triazol-4-yl]thiophene-2-sulfonamide","2014-01-22"],["X0R","(R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID","C29 H25 Br F2 N2 O4 S","Brc1ccc(cc1)CSCC(C(=O)O)NC(=O)N(C(=O)c3cccc(C#Cc2ccc(F)cc2F)c3)CCC;CCCN(C(=O)N[CH](CSCc1ccc(Br)cc1)C(O)=O)C(=O)c2cccc(c2)C#Cc3ccc(F)cc3F;CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)NC(CSCc3ccc(cc3)Br)C(=O)O","InChI=1S/C29H25BrF2N2O4S/c1-2-14-34(29(38)33-26(28(36)37)18-39-17-20-7-11-23(30)12-8-20)27(35)22-5-3-4-19(15-22)6-9-21-10-13-24(31)16-25(21)32/h3-5,7-8,10-13,15-16,26H,2,14,17-18H2,1H3,(H,33,38)(H,36,37)/t26-/m0/s1","","2013-09-11","2014-09-05","S-(4-bromobenzyl)-N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-L-cysteine","2014-02-05"],["X0S","2-chloro-N-methylbenzene-1-sulfonamide","C7 H8 Cl N O2 S","c1c(S(NC)(=O)=O)c(Cl)ccc1;CN[S](=O)(=O)c1ccccc1Cl;CNS(=O)(=O)c1ccccc1Cl","InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3","","2020-11-19","2021-06-25","2-chloro-N-methylbenzene-1-sulfonamide","2021-06-30"],["X0T","7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE","C10 H14 N4 O4","O=C2N(c1ncn(c1C(=O)N2C)CC(O)CO)C;CN1C(=O)N(C)c2ncn(C[CH](O)CO)c2C1=O;CN1c2c(n(cn2)CC(CO)O)C(=O)N(C1=O)C","InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m0/s1","DIPROPHYLLINE","2009-12-17","2020-06-17","7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",""],["X0U","6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE","C9 H8 N2 O2 S","O2c3cc1sc(nc1cc3OCC2)N;Nc1sc2cc3OCCOc3cc2n1;c1c2c(cc3c1OCCO3)sc(n2)N","InChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)","","2009-12-17","2011-06-04","6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine",""],["X0V","4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE","C7 H7 F3 N2","FC(F)(F)c1cc(N)c(N)cc1;Nc1ccc(cc1N)C(F)(F)F;c1cc(c(cc1C(F)(F)F)N)N","InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2","","2009-12-17","2011-06-04","4-(trifluoromethyl)benzene-1,2-diamine",""],["X0W","5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIAZOLE","C10 H11 N O2 S","n1c2cc(OC)c(OC)cc2sc1C;COc1cc2sc(C)nc2cc1OC;Cc1nc2cc(c(cc2s1)OC)OC","InChI=1S/C10H11NO2S/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6/h4-5H,1-3H3","","2009-12-17","2011-06-04","5,6-dimethoxy-2-methyl-1,3-benzothiazole",""],["X0X","beta-D-talopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6+/m0/s1","beta-D-taluronic acid; D-taluronic acid; taluronic acid","2015-03-30","2020-07-17","beta-D-talopyranuronic acid","2015-12-23"],["X0Y","1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione","C8 H9 N3 O2","C1(N(C(=O)N(c2c1cnc2)C)C)=O;CN1C(=O)N(C)c2c[nH]cc2C1=O;CN1c2c[nH]cc2C(=O)N(C1=O)C","InChI=1S/C8H9N3O2/c1-10-6-4-9-3-5(6)7(12)11(2)8(10)13/h3-4,9H,1-2H3","","2020-11-20","2021-07-16","1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione","2021-07-21"],["X10","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide","C22 H18 F3 N3 O3","Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO;ONC(=O)[CH](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1ccc(cc1)NCC(=O)NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO","InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1","","2022-10-25","2023-01-13","N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide","2023-01-18"],["X11","2-(4,6-diamino-1,3,5-triazin-2-yl)phenol","C9 H9 N5 O","n1c(nc(nc1c2c(O)cccc2)N)N;Nc1nc(N)nc(n1)c2ccccc2O;c1ccc(c(c1)c2nc(nc(n2)N)N)O","InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-3-1-2-4-6(5)15/h1-4,15H,(H4,10,11,12,13,14)","","2011-02-17","2012-08-03","2-(4,6-diamino-1,3,5-triazin-2-yl)phenol",""],["X12","2-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid","C96 H153 N31 O25","C[CH](O)[CH](NC(=O)[CH](N)CCCNC(N)=N)C(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCCCC[CH](NC(=O)[CH](Cc2ccc(O)cc2)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=N)[CH](C)O)C(=O)NCCCC[CH](NC(=O)[CH](CCCCNC(=O)[CH](Cc3ccc(O)cc3)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=N)[CH](C)O)NC(=O)[CH](Cc4ccc(O)cc4)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=N)[CH](C)O)C(=O)NCC(O)=O;CC(C(C(=O)NC(Cc1ccc(cc1)O)C(=O)NCCCCC(C(=O)NCCCCC(C(=O)NCC(=O)O)NC(=O)C(CCCCNC(=O)C(Cc2ccc(cc2)O)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)N)NC(=O)C(Cc3ccc(cc3)O)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)N)NC(=O)C(Cc4ccc(cc4)O)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)N)NC(=O)C(CCCNC(=N)N)N)O","InChI=1S/C96H153N31O25/c1-50(128)74(124-78(138)62(97)15-11-41-112-93(101)102)89(149)120-69(45-54-22-30-58(132)31-23-54)84(144)110-39-9-5-19-66(118-87(147)71(47-56-26-34-60(134)35-27-56)122-91(151)76(52(3)130)126-80(140)64(99)17-13-43-114-95(105)106)82(142)109-38-8-6-20-67(83(143)116-49-73(136)137)117-86(146)68(119-88(148)72(48-57-28-36-61(135)37-29-57)123-92(152)77(53(4)131)127-81(141)65(100)18-14-44-115-96(107)108)21-7-10-40-111-85(145)70(46-55-24-32-59(133)33-25-55)121-90(150)75(51(2)129)125-79(139)63(98)16-12-42-113-94(103)104/h22-37,50-53,62-72,74-77,128-135H,5-21,38-49,97-100H2,1-4H3,(H,109,142)(H,110,144)(H,111,145)(H,116,143)(H,117,146)(H,118,147)(H,119,148)(H,120,149)(H,121,150)(H,122,151)(H,123,152)(H,124,138)(H,125,139)(H,126,140)(H,127,141)(H,136,137)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)/t50-,51-,52-,53-,62-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,74-,75-,76-,77-/m1/s1","mimetic peptide dendrimer","2008-06-11","2026-03-27","2-[[(2~{S})-2,6-bis[[(2~{S})-2,6-bis[[(2~{R})-2-[[(2~{R},3~{R})-2-[[(2~{R})-2-azanyl-5-carbamimidamido-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid",""],["X13","N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium","C17 H38 N O2 S2","O=S(=O)(SCCCCCCCCCCCCC[N+](C)(C)C)C;C[N+](C)(C)CCCCCCCCCCCCCS[S](C)(=O)=O;C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C","InChI=1S/C17H38NO2S2/c1-18(2,3)16-14-12-10-8-6-5-7-9-11-13-15-17-21-22(4,19)20/h5-17H2,1-4H3/q+1","","2009-06-25","2011-06-04","N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium",""],["X14","(5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide","C20 H28 N4 O3 S","O=S(=O)(N)c1ccc(cc1)CNC(=O)c2c3c(nn2)CCC(C3)C(C)(C)CC;CCC(C)(C)[CH]1CCc2n[nH]c(C(=O)NCc3ccc(cc3)[S](N)(=O)=O)c2C1;CCC(C)(C)C1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1","InChI=1S/C20H28N4O3S/c1-4-20(2,3)14-7-10-17-16(11-14)18(24-23-17)19(25)22-12-13-5-8-15(9-6-13)28(21,26)27/h5-6,8-9,14H,4,7,10-12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)/t14-/m1/s1","","2011-02-22","2012-08-03","(5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide",""],["X15","1,3-BISPHOSPHOGLYCERIC ACID","C3 H8 O10 P2","O=P(O)(O)OCC(O)C(=O)OP(=O)(O)O;O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O;C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O","InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1","","2009-12-21","2011-06-04","(2R)-2-hydroxy-1-oxopropane-1,3-diyl bis[dihydrogen (phosphate)]",""],["X16","N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide","C19 H21 N5 O4 S","O=C(NS(=O)(=O)c3cccc(c2ccc1c(nc(nc1N)C)c2)c3)C(N)C(O)C;C[CH](O)[CH](N)C(=O)N[S](=O)(=O)c1cccc(c1)c2ccc3c(N)nc(C)nc3c2;Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)C(C(C)O)N","InChI=1S/C19H21N5O4S/c1-10(25)17(20)19(26)24-29(27,28)14-5-3-4-12(8-14)13-6-7-15-16(9-13)22-11(2)23-18(15)21/h3-10,17,25H,20H2,1-2H3,(H,24,26)(H2,21,22,23)/t10-,17+/m1/s1","","2012-11-19","2013-09-13","N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide","2013-09-18"],["X17","(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one","C22 H29 N3 O2","O=C1N(C(=NC1(c2ccc(OC)c(c2)C)C53CC4CC(CC(C3)C4)C5)N)C;COc1ccc(cc1C)[C]2(N=C(N)N(C)C2=O)[C]34CC5[CH2][CH](C[CH]([CH2]5)C3)C4;Cc1cc(ccc1OC)C2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4","InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14-,15+,16-,21-,22-/m0/s1","","2009-08-21","2011-06-04","(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one",""],["X18","N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide","C21 H25 Br N4 O2","Brc1ccc(nc1)C(C)NC(=O)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C;C[CH](NC(=O)c1ccc2NC(=O)N([CH](C)C(C)(C)C)c2c1)c3ccc(Br)cn3;CC(c1ccc(cn1)Br)NC(=O)c2ccc3c(c2)N(C(=O)N3)C(C)C(C)(C)C","InChI=1S/C21H25BrN4O2/c1-12(16-9-7-15(22)11-23-16)24-19(27)14-6-8-17-18(10-14)26(20(28)25-17)13(2)21(3,4)5/h6-13H,1-5H3,(H,24,27)(H,25,28)/t12-,13+/m0/s1","","2023-05-30","2023-12-01","N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide","2023-12-06"],["X19","(5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide","C14 H23 N3 O","O=C(c1c2c(nn1)CCC(C2)C(C)(C)CC)NC;CCC(C)(C)[CH]1CCc2n[nH]c(C(=O)NC)c2C1;CCC(C)(C)C1CCc2c(c([nH]n2)C(=O)NC)C1","InChI=1S/C14H23N3O/c1-5-14(2,3)9-6-7-11-10(8-9)12(17-16-11)13(18)15-4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m0/s1","","2011-02-22","2012-08-03","(5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide",""],["X1A","N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide","C18 H22 N8 O S","C(Nc1sc(cn1)CN2CC5(C2)CN(c3n4c(nc(c3)C)ncn4)CC5)(=O)C;CC(=O)Nc1sc(CN2CC3(CCN(C3)c4cc(C)nc5ncnn45)C2)cn1;Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C","InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)","","2020-11-20","2020-11-27","N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide","2020-12-02"],["X1B","{(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetaldehyde","C18 H19 N5 O4","O=C1C(/N=C(C(N)Cc2cncn2C)N1CC(O)=O)=C/c1ccc(O)cc1;Cn1cncc1C[CH](N)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O;Cn1cncc1CC(C2=NC(=Cc3ccc(cc3)O)C(=O)N2CC(=O)O)N","InChI=1S/C18H19N5O4/c1-22-10-20-8-12(22)7-14(19)17-21-15(18(27)23(17)9-16(25)26)6-11-2-4-13(24)5-3-11/h2-6,8,10,14,24H,7,9,19H2,1H3,(H,25,26)/b15-6-/t14-/m0/s1","CHROMOPHORE (N1-METHYLATED HIS-TYR-GLY)","2023-10-18","2024-09-27","{(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid","2023-11-29"],["X1C","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","C49 H38 Ir N6 O","O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1;O=C(CCc1ccncc1)NCc2ccc(nc2)c3ccccn3.[Ir+](c4ccccc4c5ccc6ccccc6n5)c7ccccc7c8ccc9ccccc9n8;c1ccc2c(c1)C=CC3=[N]2[Ir+]45(c6c3cccc6)(c7ccccc7C8=CC=C9C=CC=CC9=[N]48)[N]1=C(C=CC=C1)C1=[N]5C=C(C=C1)CNC(=O)CCc1ccncc1","InChI=1S/C19H18N4O.2C15H10N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-4,6,8-13H,5,7,14H2,(H,23,24);2*1-6,8-11H;/q;;;+1","","2022-10-25","2023-01-27","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","2023-02-01"],["X1D","N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide","C28 H21 F6 N O4 S","O=S(=O)(N(Cc1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1;OC(c1ccc(cc1)N(Cc2ccc(Oc3ccccc3)cc2)[S](=O)(=O)c4ccccc4)(C(F)(F)F)C(F)(F)F;c1ccc(cc1)Oc2ccc(cc2)CN(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccccc4","InChI=1S/C28H21F6NO4S/c29-27(30,31)26(36,28(32,33)34)21-13-15-22(16-14-21)35(40(37,38)25-9-5-2-6-10-25)19-20-11-17-24(18-12-20)39-23-7-3-1-4-8-23/h1-18,36H,19H2","","2023-05-31","2023-10-06","N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide","2023-10-11"],["X1E","(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID","C8 H12 N2 O3 S","O=C(O)C1N2C(=O)C(N)C2SC1(C)C;CC1(C)S[CH]2[CH](N)C(=O)N2[CH]1C(O)=O;CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C","InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1","6-AMINOPENICILLANIC ACID","2009-12-23","2021-03-01","(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",""],["X1F","5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","C15 H23 N O11","OC(=O)C1(O)CC(O)C(NC(C)=O)C(O1)C(OC(C)=O)C(O)COC(C)=O;CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](OC(C)=O)[CH](O)COC(C)=O)C(O)=O;CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)OC(=O)C)(C(=O)O)O)O","InChI=1S/C15H23NO11/c1-6(17)16-11-9(20)4-15(24,14(22)23)27-13(11)12(26-8(3)19)10(21)5-25-7(2)18/h9-13,20-21,24H,4-5H2,1-3H3,(H,16,17)(H,22,23)/t9-,10+,11+,12+,13+,15+/m0/s1","","2023-10-18","2024-08-30","5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid","2024-09-04"],["X1G","N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide","C13 H17 N O3","c1cc(CNC(CC(C)C)=O)cc2c1OCO2;CC(C)CC(=O)NCc1ccc2OCOc2c1;CC(C)CC(=O)NCc1ccc2c(c1)OCO2","InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15)","","2020-11-20","2021-06-25","N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide","2021-06-30"],["X1H","[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIOPHEN-3-YL](4-METHOXYPHENYL)METHANONE","C22 H16 O4 S","O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c4ccc(OC)cc4;COc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4;COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O","InChI=1S/C22H16O4S/c1-26-17-9-4-13(5-10-17)21(25)20-18-11-8-16(24)12-19(18)27-22(20)14-2-6-15(23)7-3-14/h2-12,23-24H,1H3","","2009-12-24","2011-06-04","[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone",""],["X1I","{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","C46 H37 F4 Ir N7 O3","Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)/C=NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccncc1;CC(C)(C)OC(=O)N[CH](Cc1ccncc1)C(=O)N=Cc2ccc(nc2)c3ccccn3.Fc4cc(F)c(c([Ir+]c5cc(F)cc(F)c5c6ccccn6)c4)c7ccccn7;CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)N=CC2=C[N]3=C(C=C2)C4=[N]([Ir+]356(c7cc(cc(c7C8=[N]5C=CC=C8)F)F)c9cc(cc(c9C1=CC=CC=[N]61)F)F)C=CC=C4","InChI=1S/C24H25N5O3.2C11H6F2N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h4-13,15-16,21H,14H2,1-3H3,(H,29,31);2*1-4,6-7H;/q;;;+1/b28-16-;;;/t21-;;;/m0.../s1","","2022-10-25","2023-01-27","{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","2023-02-01"],["X1J","1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one","C10 H12 N2 O","c2c1c(CN(C1)C(=O)C)ccc2N;CC(=O)N1Cc2ccc(N)cc2C1;CC(=O)N1Cc2ccc(cc2C1)N","InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3","","2020-11-20","2024-02-20","1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one","2021-06-30"],["X1K","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","C20 H31 N O4","CC1(C)CCC[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12;CC1(CCCC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)C","InChI=1S/C20H31NO4/c1-11-13(9-15(23)12-8-17(24)21-18(12)25)20(4)7-5-6-19(2,3)16(20)10-14(11)22/h12-16,22-23H,1,5-10H2,2-4H3,(H,21,24,25)/t12-,13+,14+,15+,16+,20-/m1/s1","","2023-05-30","2024-10-11","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","2024-10-16"],["X1L","N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide","C20 H23 F2 N3 O4 S","FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1;CC(F)(F)c1ncc(C(=O)N[CH](CC[S](C)(=O)=O)C2CC2)c(Oc3ccccc3)n1;CC(c1ncc(c(n1)Oc2ccccc2)C(=O)NC(CCS(=O)(=O)C)C3CC3)(F)F","InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26)","","2023-10-19","2024-09-27","N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide","2024-05-01"],["X1M","1-(6-methoxypyridin-2-yl)-N-methylmethanamine","C8 H12 N2 O","c1(nc(OC)ccc1)CNC;CNCc1cccc(OC)n1;CNCc1cccc(n1)OC","InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3","","2020-11-20","2021-06-25","1-(6-methoxypyridin-2-yl)-N-methylmethanamine","2021-06-30"],["X1N","2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE","C16 H13 N5 O2 S","[O-][N+](=O)C=4C=CCC(=Nc1ncc3c(n1)c2sc(nc2CC3)C)C=4;Cc1sc2c(CCc3cnc(N=C4CC=CC(=C4)[N+]([O-])=O)nc23)n1;Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2","InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2,4,7-8H,3,5-6H2,1H3/b19-11-","","2009-12-31","2011-06-04","2-methyl-N-[(1Z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine",""],["X1O","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","C41 H30 F4 Ir N6 O","Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)CNC(=O)CCc1ccncc1;Fc1cc(F)c(c([Ir+]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C(CCc5ccncc5)NCc6ccc(nc6)c7ccccn7;c1cnccc1CCC(=O)NCC2=CC=C3C4=CC=CC=[N]4[Ir+]56([N]3=C2)(c7cc(cc(c7C8=[N]5C=CC=C8)F)F)c9cc(cc(c9C1=CC=CC=[N]61)F)F","InChI=1S/C19H18N4O.2C11H6F2N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-4,6,8-13H,5,7,14H2,(H,23,24);2*1-4,6-7H;/q;;;+1","","2022-10-25","2023-01-27","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","2023-02-01"],["X1P","1-O-phosphono-alpha-D-xylopyranose","C5 H11 O8 P","O=P(OC1OCC(O)C(O)C1O)(O)O;O[CH]1CO[CH](O[P](O)(O)=O)[CH](O)[CH]1O;C1C(C(C(C(O1)OP(=O)(O)O)O)O)O","InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1","1-O-phosphono-alpha-D-xylose; 1-O-phosphono-D-xylose; 1-O-phosphono-xylose","2006-06-05","2020-07-17","1-O-phosphono-alpha-D-xylopyranose",""],["X1Q","~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine","C19 H21 N5","CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3;CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3","InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+","","2023-05-30","2024-03-01","~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine","2024-03-06"],["X1R","3-(PROPYLSULFONYL)PROPANOIC ACID","C6 H12 O4 S","O=C(O)CCS(=O)(=O)CCC;CCC[S](=O)(=O)CCC(O)=O;CCCS(=O)(=O)CCC(=O)O","InChI=1S/C6H12O4S/c1-2-4-11(9,10)5-3-6(7)8/h2-5H2,1H3,(H,7,8)","","2010-01-04","2011-06-04","3-(propylsulfonyl)propanoic acid",""],["X1S","3-SULFOPROPANOIC ACID","C3 H6 O5 S","O=C(O)CCS(=O)(=O)O;OC(=O)CC[S](O)(=O)=O;C(CS(=O)(=O)O)C(=O)O","InChI=1S/C3H6O5S/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H,6,7,8)","","2010-01-04","2011-06-04","3-sulfopropanoic acid",""],["X1T","6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide","C21 H22 F2 N4 O3","FC(F)c1cccc(n1)C(=O)Nc1cn2cc(nc2cc1OCC)CC1CCOC1;CCOc1cc2nc(C[CH]3CCOC3)cn2cc1NC(=O)c4cccc(n4)C(F)F;CCOc1cc2nc(cn2cc1NC(=O)c3cccc(n3)C(F)F)CC4CCOC4","InChI=1S/C21H22F2N4O3/c1-2-30-18-9-19-24-14(8-13-6-7-29-12-13)10-27(19)11-17(18)26-21(28)16-5-3-4-15(25-16)20(22)23/h3-5,9-11,13,20H,2,6-8,12H2,1H3,(H,26,28)/t13-/m0/s1","","2023-10-19","2024-06-21","6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide","2024-06-26"],["X1V","5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide","C26 H32 Cl N5 O5 S3","CC(C)[CH]1NC(=O)CCSSCCNC(=O)[CH](CNC(=O)c2sc(Cl)cc2)NC(=O)c3cccc(CNC1=O)c3;CC(C)C1C(=O)NCc2cccc(c2)C(=O)NC(C(=O)NCCSSCCC(=O)N1)CNC(=O)c3ccc(s3)Cl","InChI=1S/C26H32ClN5O5S3/c1-15(2)22-26(37)29-13-16-4-3-5-17(12-16)23(34)31-18(14-30-25(36)19-6-7-20(27)40-19)24(35)28-9-11-39-38-10-8-21(33)32-22/h3-7,12,15,18,22H,8-11,13-14H2,1-2H3,(H,28,35)(H,29,37)(H,30,36)(H,31,34)(H,32,33)/t18-,22+/m0/s1","macrocycle X1vE; 5-chloro-N-[[(4S,15R)-15-isopropyl-2,5,13,16-tetraoxo-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide","2020-05-26","2022-05-27","5-chloranyl-~{N}-[[(4~{S},15~{R})-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide","2022-06-01"],["X1W","N5-[(3S,4R)-4-phenylmethoxypyrrolidin-3-yl]-N7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine","C27 H32 N6 O","CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CNC[CH]4OCc5ccccc5)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CNCC4OCc5ccccc5","InChI=1S/C27H32N6O/c1-19(2)22-15-30-33-26(29-14-20-9-5-3-6-10-20)13-25(32-27(22)33)31-23-16-28-17-24(23)34-18-21-11-7-4-8-12-21/h3-13,15,19,23-24,28-29H,14,16-18H2,1-2H3,(H,31,32)/t23-,24+/m0/s1","","2023-05-30","2024-03-15","~{N}5-[(3~{S},4~{R})-4-phenylmethoxypyrrolidin-3-yl]-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine","2024-03-20"],["X1X","alpha-D-talopyranuronic acid","C6 H10 O7","O=C(O)C1OC(O)C(O)C(O)C1O;O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;C1(C(C(OC(C1O)O)C(=O)O)O)O","InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6-/m0/s1","alpha-D-taluronic acid; D-taluronic acid; taluronic acid; alpha-D-taluronate","2013-12-15","2020-07-17","alpha-D-talopyranuronic acid","2014-01-22"],["X1Y","(2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol","C10 H20 N2 O2","N1(C(O)NC(O)CC1)C2CCCCC2;O[CH]1CCN(C2CCCCC2)[CH](O)N1;C1CCC(CC1)N2CCC(NC2O)O","InChI=1S/C10H20N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h8-11,13-14H,1-7H2/t9-,10-/m1/s1","","2020-11-23","2020-12-04","(2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol","2020-12-09"],["X1Z","~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide","C29 H43 F2 N5 O6 S","COC[CH](NC(=O)[CH](NC(=O)C1CCC(F)(F)CC1)C2CCCCC2)C(=O)NC3(CCC3)[CH](O)C(=O)NCc4sccn4;COCC(C(=O)NC1(CCC1)C(C(=O)NCc2nccs2)O)NC(=O)C(C3CCCCC3)NC(=O)C4CCC(CC4)(F)F","InChI=1S/C29H43F2N5O6S/c1-42-17-20(25(39)36-28(10-5-11-28)23(37)27(41)33-16-21-32-14-15-43-21)34-26(40)22(18-6-3-2-4-7-18)35-24(38)19-8-12-29(30,31)13-9-19/h14-15,18-20,22-23,37H,2-13,16-17H2,1H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t20-,22-,23-/m1/s1","","2023-10-19","2024-09-27","~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide","2024-08-28"],["X20","tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate","C24 H24 Cl N5 O4","O=C(N(C)C)c1ccc(c(Cl)c1)Nc4ncc3c(n(c(c2ocnc2)c3)C(=O)OC(C)(C)C)c4;CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)c4ocnc4)c(Cl)c1;CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C","InChI=1S/C24H24ClN5O4/c1-24(2,3)34-23(32)30-18-10-21(27-11-15(18)9-19(30)20-12-26-13-33-20)28-17-7-6-14(8-16(17)25)22(31)29(4)5/h6-13H,1-5H3,(H,27,28)","","2013-09-05","2013-11-29","tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate","2013-12-04"],["X21","tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate","C26 H26 Cl N7 O2","Clc2cc(c1cncn1C)ccc2Nc5ncc4c(n(c(c3cn(nc3)C)c4)C(=O)OC(C)(C)C)c5;Cn1cc(cn1)c2cc3cnc(Nc4ccc(cc4Cl)c5cncn5C)cc3n2C(=O)OC(C)(C)C;CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C","InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31)","","2013-09-06","2013-11-29","tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate","2013-12-04"],["X22","(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide","C28 H36 N4 O4","O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(N)CC)C(CCC3CC4)CO;CC[CH](N)C(=O)N[CH]1[CH](CO)CC[CH]2CC[CH](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4;CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N","InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1","2(S),3(S),6(S),7(S),9a(S) 6-(2-Amino-butyrylamino)-7-hydroxymethyl-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid benzhydryl-amide","2008-03-21","2021-03-13","(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide",""],["X23","(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide","C28 H37 N5 O3","O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(N)CC)C(CCC3CC4)CN;CC[CH](N)C(=O)N[CH]1[CH](CN)CC[CH]2CC[CH](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4;CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N","InChI=1S/C28H37N5O3/c1-2-22(30)26(34)32-25-20(17-29)13-14-21-15-16-23(33(21)28(25)36)27(35)31-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29-30H2,1H3,(H,31,35)(H,32,34)/t20-,21+,22+,23+,25+/m1/s1","2(S),3(S),6(S),7(S),9a(S) 6-(2-Amino-butyrylamino)-7-aminomethyl-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid benzhydryl-amide","2008-03-21","2021-03-13","(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide",""],["X24","TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE","C30 H38 N4 O3","O=C(OC(C)(C)C)NCC1CCC(CC1)CNC(=O)c2c4ccccc4nc(c2)c3ccc(cc3)CN;CC(C)(C)OC(=O)NC[CH]1CC[CH](CC1)CNC(=O)c2cc(nc3ccccc23)c4ccc(CN)cc4;CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN","InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-22-10-8-21(9-11-22)18-32-28(35)25-16-27(23-14-12-20(17-31)13-15-23)34-26-7-5-4-6-24(25)26/h4-7,12-16,21-22H,8-11,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t21-,22-","","2010-01-11","2011-06-04","tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate",""],["X25","4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine","C23 H23 N3 O3","n1c(onc1Cc2ccccc2)c4oc5cccc(OC3CCNCC3)c5c4C;Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4;Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5","InChI=1S/C23H23N3O3/c1-15-21-18(27-17-10-12-24-13-11-17)8-5-9-19(21)28-22(15)23-25-20(26-29-23)14-16-6-3-2-4-7-16/h2-9,17,24H,10-14H2,1H3","","2012-07-06","2014-09-05","4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine","2012-10-12"],["X26","11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C37 H48 N8 O3","O=C3c1c(cccc1)N(C2CCCC2)c4c(N3C)cnc(n4)Nc5ccc(cc5OC(C)C)C(=O)N6CCC(CC6)N7CCN(C)CC7;CC(C)Oc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7;CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C","InChI=1S/C37H48N8O3/c1-25(2)48-33-23-26(35(46)44-17-15-27(16-18-44)43-21-19-41(3)20-22-43)13-14-30(33)39-37-38-24-32-34(40-37)45(28-9-5-6-10-28)31-12-8-7-11-29(31)36(47)42(32)4/h7-8,11-14,23-25,27-28H,5-6,9-10,15-22H2,1-4H3,(H,38,39,40)","","2018-02-26","2018-08-24","11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2018-08-29"],["X27","2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C27 H33 N7 O2","O=C2N(c1cnc(nc1N(c3c2cccc3)C(C)C)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C;COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C(C)C)c3n2)ccc1N5CCN(C)CC5;CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C","InChI=1S/C27H33N7O2/c1-18(2)34-21-9-7-6-8-20(21)26(35)32(4)23-17-28-27(30-25(23)34)29-19-10-11-22(24(16-19)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)","","2018-02-26","2019-03-01","2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2019-03-06"],["X28","3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID","C23 H21 N O3","NC(=O)c1ccc(Cc2ccccc2)cc1c3cccc(CCC(O)=O)c3;c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N","InChI=1S/C23H21NO3/c24-23(27)20-11-9-18(13-16-5-2-1-3-6-16)15-21(20)19-8-4-7-17(14-19)10-12-22(25)26/h1-9,11,14-15H,10,12-13H2,(H2,24,27)(H,25,26)","","2016-04-29","2016-09-09","3-[3-[2-aminocarbonyl-5-(phenylmethyl)phenyl]phenyl]propanoic acid","2016-09-14"],["X29","4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol","C12 H7 Br Cl N3 O2","Clc3cc(c1nnc2ccc(Br)cn12)c(O)cc3O;Oc1cc(O)c(cc1Cl)c2nnc3ccc(Br)cn23;c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl","InChI=1S/C12H7BrClN3O2/c13-6-1-2-11-15-16-12(17(11)5-6)7-3-8(14)10(19)4-9(7)18/h1-5,18-19H","","2013-06-24","2014-06-13","4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol","2014-06-18"],["X2A","(6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide","C50 H58 N6 O8","O=C(N2CCC(c1cccc(c1)CN)CC2)c3cc(ccc3)NC(=O)C5(O)OC(OC45CCC4)(C(=O)Nc8cc(C(=O)N7CCC(c6cccc(c6)CN)CC7)ccc8)C9(O)CCC9;NCc1cccc(c1)[CH]2CCN(CC2)C(=O)c3cccc(NC(=O)[C]4(O)O[C](OC45CCC5)(C(=O)Nc6cccc(c6)C(=O)N7CC[CH](CC7)c8cccc(CN)c8)C9(O)CCC9)c3;c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)C4(C5(CCC5)OC(O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN","InChI=1S/C50H58N6O8/c51-31-33-7-1-9-37(27-33)35-15-23-55(24-16-35)43(57)39-11-3-13-41(29-39)53-45(59)49(62)48(21-6-22-48)63-50(64-49,47(61)19-5-20-47)46(60)54-42-14-4-12-40(30-42)44(58)56-25-17-36(18-26-56)38-10-2-8-34(28-38)32-52/h1-4,7-14,27-30,35-36,61-62H,5-6,15-26,31-32,51-52H2,(H,53,59)(H,54,60)/t49-,50+/m0/s1","","2013-09-16","2015-03-13","(6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide","2015-03-18"],["X2B","{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","C56 H43 Ir N7 O2","O=C(NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)C(NC(=O)c1ccccc1)Cc1ccncc1;O=C(NCc1ccc(nc1)c2ccccn2)[CH](Cc3ccncc3)NC(=O)c4ccccc4.[Ir+](c5ccccc5c6ccc7ccccc7n6)c8ccccc8c9ccc%10ccccc%10n9;c1ccc(cc1)C(=O)NC(Cc2ccncc2)C(=O)NCC3=C[N]4=C(C=C3)C5=[N]([Ir+]467(c8ccccc8C9=[N]6c1ccccc1C=C9)c1ccccc1C1=CC=C2C=CC=CC2=[N]71)C=CC=C5","InChI=1S/C26H23N5O2.2C15H10N.Ir/c32-25(21-6-2-1-3-7-21)31-24(16-19-11-14-27-15-12-19)26(33)30-18-20-9-10-23(29-17-20)22-8-4-5-13-28-22;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-15,17,24H,16,18H2,(H,30,33)(H,31,32);2*1-6,8-11H;/q;;;+1/t24-;;;/m0.../s1","","2022-10-25","2023-01-27","{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)","2023-02-01"],["X2C","4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine","C23 H32 N4 O","O(CCNC2CC2c1cccc(c1)C)C3C(CNC3)Cc4nc(N)cc(c4)C;Cc1cccc(c1)[CH]2C[CH]2NCCO[CH]3CNC[CH]3Cc4cc(C)cc(N)n4;Cc1cccc(c1)C2CC2NCCOC3CNCC3Cc4cc(cc(n4)N)C","InChI=1S/C23H32N4O/c1-15-4-3-5-17(8-15)20-12-21(20)26-6-7-28-22-14-25-13-18(22)11-19-9-16(2)10-23(24)27-19/h3-5,8-10,18,20-22,25-26H,6-7,11-14H2,1-2H3,(H2,24,27)/t18-,20+,21-,22+/m1/s1","","2011-04-29","2012-04-27","4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine",""],["X2D","6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H29 Cl N4 O","Clc1cccc(c1)C4CC4NCCOC2C(CNC2)Cc3nc(N)cc(c3)C;Cc1cc(N)nc(C[CH]2CNC[CH]2OCCN[CH]3C[CH]3c4cccc(Cl)c4)c1;Cc1cc(nc(c1)N)CC2CNCC2OCCNC3CC3c4cccc(c4)Cl","InChI=1S/C22H29ClN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19+,20-,21+/m1/s1","","2011-04-29","2012-04-27","6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["X2E","6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine","C22 H31 F N4 O","Fc1cccc(c1)CC(NCCOC2C(CNC2)Cc3nc(N)cc(c3)C)C;C[CH](Cc1cccc(F)c1)NCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3;Cc1cc(nc(c1)N)CC2CNCC2OCCNC(C)Cc3cccc(c3)F","InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1","","2011-04-29","2012-04-27","6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine",""],["X2F","2-deoxy-2-fluoro-alpha-D-xylopyranose","C5 H9 F O4","FC1C(O)C(O)COC1O;O[CH]1CO[CH](O)[CH](F)[CH]1O;C1C(C(C(C(O1)O)F)O)O","InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1","2-DEOXY-2-FLUORO XYLOPYRANOSE; 2-deoxy-2-fluoro-alpha-D-xylose; 2-deoxy-2-fluoro-D-xylose; 2-deoxy-2-fluoro-xylose","1999-07-08","2024-09-27","2-deoxy-2-fluoro-alpha-D-xylopyranose",""],["X2G","4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","C21 H15 F2 N3 O7 S","[C@H](=CC#N)c1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)F;Fc1cc(Oc2ccc(O[S](F)(=O)=O)cc2OCCN3C=CC(=O)NC3=O)cc(C=CC#N)c1;c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)C=CC#N","InChI=1S/C21H15F2N3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+","","2020-11-23","2021-01-08","4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","2021-01-13"],["X2H","~{N}5-(6-azanylhexyl)-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine","C22 H32 N6","CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN","InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)","","2023-05-31","2024-03-15","~{N}5-(6-azanylhexyl)-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine","2024-03-20"],["X2I","(15,16)-DIHYDROBILIVERDIN (SINGLY LINKED)","C33 H40 N4 O6","O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O;CCC1=C(C)C(=O)NC1=Cc2[nH]c(Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C;CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C","InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1","3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid","2023-10-19","2024-09-27","3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid","2023-10-25"],["X2J","4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","C21 H15 Cl F N3 O7 S","[C@H](C#N)=Cc1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)Cl;F[S](=O)(=O)Oc1ccc(Oc2cc(Cl)cc(C=CC#N)c2)c(OCCN3C=CC(=O)NC3=O)c1;c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C=CC#N","InChI=1S/C21H15ClFN3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+","","2020-11-23","2021-01-08","4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","2021-01-13"],["X2K","(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one","C15 H15 N3 O","O=C2C(c1cc(ccc1N2)N)=C/c3c(cc(n3)C)C;Cc1[nH]c(C=C2C(=O)Nc3ccc(N)cc23)c(C)c1;Cc1cc([nH]c1C=C2c3cc(ccc3NC2=O)N)C","InChI=1S/C15H15N3O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,16H2,1-2H3,(H,18,19)/b12-7-","","2010-01-13","2011-06-04","(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["X2L","(3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE","C16 H14 N2 O2","O=C2C(c1cc(ccc1N2)N)=C/c3ccc(OC)cc3;COc1ccc(cc1)C=C2C(=O)Nc3ccc(N)cc23;COc1ccc(cc1)C=C2c3cc(ccc3NC2=O)N","InChI=1S/C16H14N2O2/c1-20-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,17H2,1H3,(H,18,19)/b14-8-","","2010-01-13","2011-06-04","(3Z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["X2M","(3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE","C15 H14 N2 O","O=C2C(c1ccccc1N2)=C/c3c(cc(n3)C)C;Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1;Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C","InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-","","2010-01-13","2011-06-04","(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one",""],["X2N","POSACONAZOLE","C37 H42 F2 N8 O4","O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3CC(OC3)(c4ccc(F)cc4F)Cn5ncnc5)cc6)CC7)C(CC)C(O)C;CC[CH]([CH](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[CH]5CO[C](C5)(Cn6cncn6)c7ccc(F)cc7F)cc4;CCC(C(C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC5CC(OC5)(Cn6cncn6)c7ccc(cc7F)F","InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1","","2010-01-14","2011-06-04","2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol",""],["X2O","(2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID","C20 H25 N O2 S","O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)C(C)CC;CC[CH](C)C(SC[CH](N)C(O)=O)(c1ccccc1)c2ccccc2;CCC(C)C(c1ccccc1)(c2ccccc2)SCC(C(=O)O)N","InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15-,18+/m1/s1","S-[(2R)-2-METHYL-1,1-DIPHENYLBUTYL]-L-CYSTEINE","2010-01-15","2021-03-13","S-[(2R)-2-methyl-1,1-diphenylbutyl]-L-cysteine",""],["X2P","(1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione","C25 H25 Cl F N3 O5","N13C5(N(CC(C)O)C(C1=C4CCN(Cc2ccc(F)c(c2)Cl)C(C4=C(C3=O)O)=O)=O)CCC6CC56;C[CH](O)CN1C(=O)C2=C3CCN(Cc4ccc(F)c(Cl)c4)C(=O)C3=C(O)C(=O)N2[C]15CC[CH]6C[CH]56;CC(CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2C14CCC5C4C5)O)Cc6ccc(c(c6)Cl)F)O","InChI=1S/C25H25ClFN3O5/c1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25/h2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3/t12-,14-,16+,25+/m0/s1","","2015-05-14","2015-10-02","(1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione","2015-10-07"],["X2Q","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)","C53 H38 Ir N6 O S2","O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1;O=C(CCc1ccncc1)NCc2ccc(nc2)c3ccccn3.s4c5ccccc5c([Ir+]c6c(sc7ccccc67)c8ccc9ccccc9n8)c4c%10ccc%11ccccc%11n%10;c1ccc2c(c1)C=CC3=[N]2[Ir+]45(c6c3sc7c6cccc7)(c8c9ccccc9sc8C1=CC=C2C=CC=CC2=[N]41)[N]1=C(C=CC=C1)C1=[N]5C=C(C=C1)CNC(=O)CCc1ccncc1","InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17;2*1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17;/h1-4,6,8-13H,5,7,14H2,(H,23,24);2*1-10H;/q;;;+1","","2022-10-26","2023-01-27","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)","2023-02-01"],["X2R","(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid","C13 H25 N3 O7 S2","CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O;CC(C)C(NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N)S(=O)(=O)O","InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12+/m0/s1","","2023-05-31","2024-06-07","(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid","2024-06-12"],["X2S","4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","C19 H13 Cl F N3 O7 S","N#Cc3cc(Oc1c(cc(cc1)OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)cc(c3)Cl;F[S](=O)(=O)Oc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCN3C=CC(=O)NC3=O)c1;c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N","InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-16-2-1-14(31-32(21,27)28)10-17(16)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26)","","2020-11-23","2021-01-08","4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","2021-01-13"],["X2T","(2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2H-pyrrol-5-one","C16 H15 Cl2 N O3","C[CH]1N(C2CC2)C(=O)C(=C1C(=O)c3ccc(Cl)c(C)c3Cl)O;Cc1c(ccc(c1Cl)C(=O)C2=C(C(=O)N(C2C)C3CC3)O)Cl","InChI=1S/C16H15Cl2NO3/c1-7-11(17)6-5-10(13(7)18)14(20)12-8(2)19(9-3-4-9)16(22)15(12)21/h5-6,8-9,21H,3-4H2,1-2H3/t8-/m1/s1","","2023-10-20","2024-10-04","(2~{R})-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2~{H}-pyrrol-5-one","2024-10-09"],["X2U","N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide","C30 H37 N5 O9 S","NS(=O)(=O)c1ccc(cc1)C(=O)NCCCOCCCCOCCCNc1cccc2C(=O)N(C(=O)c21)C1CCC(=O)NC1=O;N[S](=O)(=O)c1ccc(cc1)C(=O)NCCCOCCCCOCCCNc2cccc3C(=O)N([CH]4CCC(=O)NC4=O)C(=O)c23;c1cc2c(c(c1)NCCCOCCCCOCCCNC(=O)c3ccc(cc3)S(=O)(=O)N)C(=O)N(C2=O)C4CCC(=O)NC4=O","InChI=1S/C30H37N5O9S/c31-45(41,42)21-10-8-20(9-11-21)27(37)33-15-5-19-44-17-2-1-16-43-18-4-14-32-23-7-3-6-22-26(23)30(40)35(29(22)39)24-12-13-25(36)34-28(24)38/h3,6-11,24,32H,1-2,4-5,12-19H2,(H,33,37)(H2,31,41,42)(H,34,36,38)/t24-/m1/s1","","2022-10-26","2023-02-17","N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide","2023-02-22"],["X2V","4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","C23 H16 F N3 O7 S","c4(C#N)ccc1c(cccc1Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)OS(F)(=O)=O)c4;F[S](=O)(=O)Oc1ccc(Oc2cccc3cc(ccc23)C#N)c(OCCN4C=CC(=O)NC4=O)c1;c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N","InChI=1S/C23H16FN3O7S/c24-35(30,31)34-17-5-7-20(21(13-17)32-11-10-27-9-8-22(28)26-23(27)29)33-19-3-1-2-16-12-15(14-25)4-6-18(16)19/h1-9,12-13H,10-11H2,(H,26,28,29)","","2020-11-23","2021-01-08","4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate","2021-01-13"],["X2W","N-ACETYL-L-GLUTAMYL 5-PHOSPHATE","C7 H12 N O8 P","O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C;CC(=O)N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O;CC(=O)NC(CCC(=O)OP(=O)(O)O)C(=O)O","InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1","N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE","2010-01-18","2021-03-01","N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline",""],["X2X","(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid","C5 H8 O4","O=C(O)C(O)(C(=O)C)C;CC(=O)[C](C)(O)C(O)=O;CC(=O)C(C)(C(=O)O)O","InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1","","2014-01-06","2014-01-17","(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid","2014-01-22"],["X2Y","2,4-di-O-sulfo-alpha-L-fucopyranose","C6 H12 O11 S2","C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C;C[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O[S](O)(=O)=O;CC1C(C(C(C(O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O","InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1","6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose","2020-11-23","2020-12-11","6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose","2020-12-16"],["X2Z","~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine","C21 H28 N6","CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCCNC4)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CCCNC4","InChI=1S/C21H28N6/c1-15(2)18-14-24-27-20(23-12-16-7-4-3-5-8-16)11-19(26-21(18)27)25-17-9-6-10-22-13-17/h3-5,7-8,11,14-15,17,22-23H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1","","2023-05-31","2024-03-15","~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine","2024-03-20"],["X30","11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C32 H40 N8 O3","N1(CCN(CC1)C6CCN(C(=O)c2ccc(c(c2)OC)Nc3nc4c(cn3)N(C(c5c(N4CC)cccc5)=O)C)CC6)C;CCN1c2ccccc2C(=O)N(C)c3cnc(Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc13;CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C","InChI=1S/C32H40N8O3/c1-5-40-26-9-7-6-8-24(26)31(42)37(3)27-21-33-32(35-29(27)40)34-25-11-10-22(20-28(25)43-4)30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)","","2017-06-15","2018-06-15","11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2018-06-20"],["X31","1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one","C33 H52 N6 O3","CC(=O)N1CCC(CC1)N(C)c1nc(nc2cc(OCCCN3CCCCC3)c(OC)cc21)N1CCCCCCCC1;COc1cc2c(cc1OCCCN3CCCCC3)nc(nc2N(C)C4CCN(CC4)C(C)=O)N5CCCCCCCC5;CC(=O)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)N4CCCCCCCC4)OCCCN5CCCCC5)OC","InChI=1S/C33H52N6O3/c1-26(40)38-21-14-27(15-22-38)36(2)32-28-24-30(41-3)31(42-23-13-18-37-16-9-8-10-17-37)25-29(28)34-33(35-32)39-19-11-6-4-5-7-12-20-39/h24-25,27H,4-23H2,1-3H3","","2023-10-20","2024-10-18","1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one","2024-10-23"],["X32","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-phenylalanine","C24 H32 N3 O7 P","O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2;CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(O)=O;CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O","InChI=1S/C24H32N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1","","2012-01-18","2013-01-11","N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-phenylalanine","2013-01-11"],["X33","Carborane inhibitor","C5 H8 B10 N O2 S","N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16;B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N","InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3","","2019-10-23","2020-06-12","","2020-06-17"],["X34","4-O-sulfo-alpha-L-fucopyranose","C6 H12 O8 S","C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C;C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O;CC1C(C(C(C(O1)O)O)O)OS(=O)(=O)O","InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1","6-deoxy-4-O-sulfo-alpha-L-galactopyranose","2020-11-23","2020-12-11","6-deoxy-4-O-sulfo-alpha-L-galactopyranose","2020-12-16"],["X35","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","C12 H12 N4 O S","O=C(c1sc(nc1N)NCC=C)c2cccnc2;Nc1nc(NCC=C)sc1C(=O)c2cccnc2;C=CCNc1nc(c(s1)C(=O)c2cccnc2)N","InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16)","","2011-02-25","2012-10-26","[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","2012-10-26"],["X36","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone","C16 H13 N3 O S","O=C(c1sc(nc1N)Nc2ccccc2)c3ccccc3;Nc1nc(Nc2ccccc2)sc1C(=O)c3ccccc3;c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N","InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)","","2011-02-25","2012-10-26","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone","2012-10-26"],["X37","4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium","C22 H30 N5","CC(C)(C)c1ccc(CC2([NH3+])CCN(CC2)c3ncnc4[nH]ccc34)cc1;CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+]","InChI=1S/C22H29N5/c1-21(2,3)17-6-4-16(5-7-17)14-22(23)9-12-27(13-10-22)20-18-8-11-24-19(18)25-15-26-20/h4-8,11,15H,9-10,12-14,23H2,1-3H3,(H,24,25,26)/p+1","","2010-01-22","2011-06-04","[4-[(4-tert-butylphenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azanium",""],["X38","(4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid","C26 H31 N5 O10 S","NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCNc1cccc2C(=O)N(C(=O)c21)C(CCC(=O)O)C(N)=O;NC(=O)[CH](CCC(O)=O)N1C(=O)c2cccc(NCCOCCOCCNC(=O)c3ccc(cc3)[S](N)(=O)=O)c2C1=O;c1cc2c(c(c1)NCCOCCOCCNC(=O)c3ccc(cc3)S(=O)(=O)N)C(=O)N(C2=O)C(CCC(=O)O)C(=O)N","InChI=1S/C26H31N5O10S/c27-23(34)20(8-9-21(32)33)31-25(36)18-2-1-3-19(22(18)26(31)37)29-10-12-40-14-15-41-13-11-30-24(35)16-4-6-17(7-5-16)42(28,38)39/h1-7,20,29H,8-15H2,(H2,27,34)(H,30,35)(H,32,33)(H2,28,38,39)/t20-/m0/s1","","2022-10-26","2023-02-17","(4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid","2023-02-22"],["X39","4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE","C19 H21 Cl N6 O","Clc1ccc(cc1)CNC(=O)C4(N)CCN(c2ncnc3c2ccn3)CC4;NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NCc4ccc(Cl)cc4;c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl","InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)11-23-18(27)19(21)6-9-26(10-7-19)17-15-5-8-22-16(15)24-12-25-17/h1-5,8,12H,6-7,9-11,21H2,(H,23,27)(H,22,24,25)","","2010-01-22","2011-06-04","4-amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide",""],["X3A","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","C15 H12 N4 O S","O=C(c1sc(nc1N)Nc2ccccc2)c3cccnc3;Nc1nc(Nc2ccccc2)sc1C(=O)c3cccnc3;c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N","InChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19)","","2011-02-25","2012-10-26","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone","2012-10-26"],["X3B","2-methylidene-1,3-dioxane-4,4-diol","C5 H8 O4","OC1(O)CCOC(=C)O1;C=C1OCCC(O1)(O)O","InChI=1S/C5H8O4/c1-4-8-3-2-5(6,7)9-4/h6-7H,1-3H2","","2023-05-31","2023-10-20","2-methylidene-1,3-dioxane-4,4-diol","2023-10-25"],["X3C","6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","C21 H19 Cl N4 O5","Cn1nc(C)cc1N2C(=O)N(C)c3cc(c(Cl)cc3C2=O)C(=O)C4=C(O)CCCC4=O;Cc1cc(n(n1)C)N2C(=O)c3cc(c(cc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)Cl","InChI=1S/C21H19ClN4O5/c1-10-7-17(25(3)23-10)26-20(30)12-8-13(22)11(9-14(12)24(2)21(26)31)19(29)18-15(27)5-4-6-16(18)28/h7-9,27H,4-6H2,1-3H3","","2023-10-20","2024-10-04","6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione","2024-10-09"],["X3D","(14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate","C30 H60 N O8 P","NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC;CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCCN;CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCCN","InChI=1S/C30H60NO8P/c1-3-5-7-9-11-13-14-15-17-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-18-16-12-10-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m0/s1","","2022-10-26","2023-03-17","(14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate","2023-03-22"],["X3E","(2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol","C6 H12 O4","C[CH]1CC(O)(O)O[CH](C)O1;CC1CC(OC(O1)C)(O)O","InChI=1S/C6H12O4/c1-4-3-6(7,8)10-5(2)9-4/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1","","2023-05-31","2023-10-20","(2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol","2023-10-25"],["X3F","5-(1,4-oxazepan-4-yl)-6-propanoylpyridine-2-carbonitrile","C14 H17 N3 O2","CCC(=O)c1nc(C#N)ccc1N1CCCOCC1;CCC(=O)c1nc(ccc1N2CCCOCC2)C#N;CCC(=O)c1c(ccc(n1)C#N)N2CCCOCC2","InChI=1S/C14H17N3O2/c1-2-13(18)14-12(5-4-11(10-15)16-14)17-6-3-8-19-9-7-17/h4-5H,2-3,6-9H2,1H3","","2023-10-20","2024-10-18","5-(1,4-oxazepan-4-yl)-6-propanoylpyridine-2-carbonitrile","2024-10-23"],["X3G","4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate","C23 H28 F N5 O4 S","O=S(=O)(Oc1c(cc(cc1C)Nc2ncc(F)c(n2)n3cc(c(c3)C)CN4CCC(O)C4)C)C;Cc1cn(cc1CN2CC[CH](O)C2)c3nc(Nc4cc(C)c(O[S](C)(=O)=O)c(C)c4)ncc3F;Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CCC(C4)O)C)F","InChI=1S/C23H28FN5O4S/c1-14-7-18(8-15(2)21(14)33-34(4,31)32)26-23-25-9-20(24)22(27-23)29-10-16(3)17(12-29)11-28-6-5-19(30)13-28/h7-10,12,19,30H,5-6,11,13H2,1-4H3,(H,25,26,27)/t19-/m1/s1","","2015-01-07","2015-12-24","4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate","2015-12-29"],["X3H","PIRONETIN","C19 H34 O4","CC[CH]1CCC(=O)O[CH]1C[CH](O)[CH](C)[CH](OC)[CH](C)CC=CC;CCC1CCC(=O)OC1CC(C(C)C(C(C)CC=CC)OC)O","InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1","","2015-11-17","2024-09-27","(5R,6R)-5-ethyl-6-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]oxan-2-one","2016-05-18"],["X3I","(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)","C28 H43 F O2","FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C;C[CH](CCC(=O)CF)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OCC#C;CC(CCC(=O)CF)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OCC#C)C)C","InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1","","2022-10-26","2024-09-27","(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)","2023-11-15"],["X3J","(2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID","C8 H14 N2 O6","O=C(O)CC(O)(C(=O)O)CC(=O)NCCN;NCCNC(=O)C[C](O)(CC(O)=O)C(O)=O;C(CNC(=O)CC(CC(=O)O)(C(=O)O)O)N","InChI=1S/C8H14N2O6/c9-1-2-10-5(11)3-8(16,7(14)15)4-6(12)13/h16H,1-4,9H2,(H,10,11)(H,12,13)(H,14,15)/t8-/m0/s1","5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE","2010-01-25","2020-06-17","(2S)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid",""],["X3K","N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide","C16 H13 N3 O","C=CC(=O)Nc1cccc(c1)c2ccnc3[nH]ccc23;C=CC(=O)Nc1cccc(c1)c2ccnc3c2cc[nH]3","InChI=1S/C16H13N3O/c1-2-15(20)19-12-5-3-4-11(10-12)13-6-8-17-16-14(13)7-9-18-16/h2-10H,1H2,(H,17,18)(H,19,20)","N-(3-(1h-pyrrolo[2,3-B]pyridin-4-yl)phenyl)acrylamide","2023-05-31","2024-09-27","~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide","2023-07-05"],["X3L","(3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one","C22 H27 N7 O","CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4c(C)[nH]nc4C)cc12;Cc1c(c(n[nH]1)C)c2ccnc(n2)Nc3ccc4c(c3)N(C(C(=O)N4C)C)C(C)C","InChI=1S/C22H27N7O/c1-12(2)29-15(5)21(30)28(6)18-8-7-16(11-19(18)29)24-22-23-10-9-17(25-22)20-13(3)26-27-14(20)4/h7-12,15H,1-6H3,(H,26,27)(H,23,24,25)/t15-/m1/s1","","2023-10-20","2024-07-19","(3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one","2024-07-24"],["X3M","(2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid","C16 H22 O5","C(c1ccc(cc1)C(C)(C)C)CC(C(O)=O)(CC(O)=O)O;CC(C)(C)c1ccc(CC[C](O)(CC(O)=O)C(O)=O)cc1;CC(C)(C)c1ccc(cc1)CCC(CC(=O)O)(C(=O)O)O","InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1","","2020-11-24","2021-02-19","(2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid","2021-02-24"],["X3N","N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide","C18 H19 F2 N5 O4","FC(F)C1COC(=O)N1c1nc2c3ccc(NC(C)C(N)=O)cc3OCCn2c1;C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)F)c1)C(N)=O;CC(C(=O)N)Nc1ccc-2c(c1)OCCn3c2nc(c3)N4C(COC4=O)C(F)F","InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1","","2022-10-26","2022-11-25","N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide","2022-11-30"],["X3O","2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide","C25 H21 F9 N3 O2 P S","O=P(c1ccc(cn1)C(F)(F)F)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F;CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)[P](=O)(c2ccc(cn2)C(F)(F)F)c3ccc(cn3)C(F)(F)F;CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)P(=O)(c2ccc(cn2)C(F)(F)F)c3ccc(cn3)C(F)(F)F","InChI=1S/C25H21F9N3O2PS/c1-22(2,21(38)35-11-12-41-18-6-4-3-5-17(18)25(32,33)34)40(39,19-9-7-15(13-36-19)23(26,27)28)20-10-8-16(14-37-20)24(29,30)31/h3-10,13-14H,11-12H2,1-2H3,(H,35,38)","","2023-05-31","2024-09-13","2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide","2024-09-18"],["X3P","[(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate","C25 H51 N O8 P","CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCC[N](C)(C)C;CCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C","InChI=1S/C25H51NO8P/c1-6-8-10-12-14-16-18-25(28)34-23(21-31-24(27)17-15-13-11-9-7-2)22-33-35(29,30)32-20-19-26(3,4)5/h23H,6-22H2,1-5H3,(H,29,30)/t23-/m1/s1","","2020-11-24","2020-11-27","[(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate","2020-12-02"],["X3Q","(7M)-7-[(4S)-imidazo[1,2-b]pyridazin-3-yl]-1-[(1R)-1-phenylethyl]-3-(piperazin-1-yl)pyrido[3,4-b]pyrazin-2(1H)-one","C25 H24 N8 O","CC(c1ccccc1)N1c2cc(ncc2N=C(N2CCNCC2)C1=O)c1cnc2cccnn12;C[CH](N1C(=O)C(=Nc2cnc(cc12)c3cnc4cccnn34)N5CCNCC5)c6ccccc6;CC(c1ccccc1)N2c3cc(ncc3N=C(C2=O)N4CCNCC4)c5cnc6n5nccc6","InChI=1S/C25H24N8O/c1-17(18-6-3-2-4-7-18)32-21-14-19(22-16-28-23-8-5-9-29-33(22)23)27-15-20(21)30-24(25(32)34)31-12-10-26-11-13-31/h2-9,14-17,26H,10-13H2,1H3/t17-/m1/s1","","2023-10-20","2024-10-18","(7M)-7-[(4S)-imidazo[1,2-b]pyridazin-3-yl]-1-[(1R)-1-phenylethyl]-3-(piperazin-1-yl)pyrido[3,4-b]pyrazin-2(1H)-one","2024-10-23"],["X3R","(2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide","C20 H20 F3 N5 O4","FC(F)(F)C1COC(=O)N1c1nc2c3ccc(NC(C(N)=O)C4CC4)cc3OCCn2c1;NC(=O)[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)(F)F)c1)C5CC5;c1cc-2c(cc1NC(C3CC3)C(=O)N)OCCn4c2nc(c4)N5C(COC5=O)C(F)(F)F","InChI=1S/C20H20F3N5O4/c21-20(22,23)14-9-32-19(30)28(14)15-8-27-5-6-31-13-7-11(3-4-12(13)18(27)26-15)25-16(17(24)29)10-1-2-10/h3-4,7-8,10,14,16,25H,1-2,5-6,9H2,(H2,24,29)/t14-,16-/m0/s1","","2022-10-26","2022-11-25","(2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide","2022-11-30"],["X3S","4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide","C19 H17 Cl F N5 O3 S","c1ccc(c(c1Cl)NC(Nc4cnn(c3cc(C(NC2COC2)=O)sc3C)c4)=O)F;Cc1sc(cc1n2cc(NC(=O)Nc3c(F)cccc3Cl)cn2)C(=O)NC4COC4;Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F","InChI=1S/C19H17ClFN5O3S/c1-10-15(5-16(30-10)18(27)23-12-8-29-9-12)26-7-11(6-22-26)24-19(28)25-17-13(20)3-2-4-14(17)21/h2-7,12H,8-9H2,1H3,(H,23,27)(H2,24,25,28)","","2020-11-24","2021-02-26","4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide","2021-03-03"],["X3T","cyclohexa-2,5-diene-1,1-diol","C6 H8 O2","OC1(O)C=CCC=C1;C1C=CC(C=C1)(O)O","InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h2-5,7-8H,1H2","","2023-05-31","2023-10-20","cyclohexa-2,5-diene-1,1-diol","2023-10-25"],["X3U","(4R)-4-(2-chloro-2,2-difluoroethyl)-1-{[(4R)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}pyrrolidin-2-one","C14 H14 Cl F5 N4 O2 S","ClC(F)(F)CC1CC(=O)N(C1)Cc1c(nc2sc(COC)nn12)C(F)(F)F;COCc1sc2nc(c(CN3C[CH](CC3=O)CC(F)(F)Cl)n2n1)C(F)(F)F;COCc1nn2c(c(nc2s1)C(F)(F)F)CN3CC(CC3=O)CC(F)(F)Cl","InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1","","2023-10-20","2024-05-17","(4R)-4-(2-chloro-2,2-difluoroethyl)-1-{[(4R)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}pyrrolidin-2-one","2024-05-22"],["X3V","4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide","C18 H16 Cl N5 O3 S","c2c(cc(C(NC1COC1)=O)s2)n4ncc(NC(Nc3c(cccc3)Cl)=O)c4;Clc1ccccc1NC(=O)Nc2cnn(c2)c3csc(c3)C(=O)NC4COC4;c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl","InChI=1S/C18H16ClN5O3S/c19-14-3-1-2-4-15(14)23-18(26)22-11-6-20-24(7-11)13-5-16(28-10-13)17(25)21-12-8-27-9-12/h1-7,10,12H,8-9H2,(H,21,25)(H2,22,23,26)","","2020-11-24","2021-02-26","4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide","2021-03-03"],["X3W","1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide","C22 H27 N5 O4","CC(C)C1COC(=O)N1c1nc2c3ccc(cc3OCCn2c1)N1CCCC1C(N)=O;CC(C)[CH]1COC(=O)N1c2cn3CCOc4cc(ccc4c3n2)N5CCC[CH]5C(N)=O;CC(C)C1COC(=O)N1c2cn3c(n2)-c4ccc(cc4OCC3)N5CCCC5C(=O)N","InChI=1S/C22H27N5O4/c1-13(2)17-12-31-22(29)27(17)19-11-25-8-9-30-18-10-14(5-6-15(18)21(25)24-19)26-7-3-4-16(26)20(23)28/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3,(H2,23,28)/t16-,17-/m0/s1","","2022-10-26","2022-11-25","1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide","2022-11-30"],["X3X","bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate","C6 H15 O8 P","O=P(OCC(O)CO)(OCC(O)CO)O;OC[CH](O)CO[P](O)(=O)OC[CH](O)CO;C(C(COP(=O)(O)OCC(CO)O)O)O","InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1","diglycerolphosphate","2013-10-14","2021-03-01","bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate","2013-11-13"],["X3Y","4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide","C18 H15 Cl F N5 O3 S","c4(n2ncc(NC(Nc1c(F)cccc1Cl)=O)c2)cc(C(NC3COC3)=O)sc4;Fc1cccc(Cl)c1NC(=O)Nc2cnn(c2)c3csc(c3)C(=O)NC4COC4;c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F","InChI=1S/C18H15ClFN5O3S/c19-13-2-1-3-14(20)16(13)24-18(27)23-10-5-21-25(6-10)12-4-15(29-9-12)17(26)22-11-7-28-8-11/h1-6,9,11H,7-8H2,(H,22,26)(H2,23,24,27)","","2020-11-24","2021-02-26","4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide","2021-03-03"],["X3Z","(2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol","C20 H26 Br N5 O3","CC(C)c1cnn2c(NCc3ccccc3Br)cc(N[CH](CO)[CH](O)CO)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3Br)NC(CO)C(CO)O","InChI=1S/C20H26BrN5O3/c1-12(2)14-9-23-26-19(22-8-13-5-3-4-6-15(13)21)7-18(25-20(14)26)24-16(10-27)17(29)11-28/h3-7,9,12,16-17,22,27-29H,8,10-11H2,1-2H3,(H,24,25)/t16-,17+/m0/s1","","2023-05-31","2024-03-15","(2~{S},3~{S})-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol","2024-03-20"],["X40","4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C15 H13 N5 O3 S2","O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccnc3;c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)","","2011-02-25","2012-10-26","4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["X41","1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCERO-3-PHOSPHATE","C31 H58 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCC;CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O)([O-])=O;CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)COP(=O)(O)[O-]","InChI=1S/C31H59O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28H2,1-2H3,(H2,34,35,36)/p-1/b11-9-/t29-/m1/s1","","2004-08-02","2011-06-04","(2R)-2-(tetradecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl hydrogen phosphate",""],["X42","4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C16 H13 F N4 O3 S2","Fc1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccc(F)c3;c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24)","","2011-02-25","2012-10-26","4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["X43","4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C16 H13 N5 O5 S2","[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccc(c3)[N+]([O-])=O;c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C16H13N5O5S2/c17-15-14(13(22)9-2-1-3-11(8-9)21(23)24)27-16(20-15)19-10-4-6-12(7-5-10)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)","","2011-02-25","2012-10-26","4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["X44","4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C16 H15 N5 O5 S3","O=S(=O)(N)c1ccc(cc1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc(cc3)[S](N)(=O)=O;c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N","InChI=1S/C16H15N5O5S3/c17-15-14(13(22)9-1-5-11(6-2-9)28(18,23)24)27-16(21-15)20-10-3-7-12(8-4-10)29(19,25)26/h1-8H,17H2,(H,20,21)(H2,18,23,24)(H2,19,25,26)","","2011-02-25","2012-10-26","4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["X45","(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one","C23 H22 N4 O2","O=C2N(C(=NC2(c1cc(c(OC)cc1)C)c4cccc(c3cccnc3)c4)N)C;COc1ccc(cc1C)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cccnc4;Cc1cc(ccc1OC)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4","InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26)/t23-/m0/s1","","2009-08-21","2011-06-04","(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one",""],["X46","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone","C17 H15 N3 O2 S","O=C(c1sc(nc1N)Nc2ccccc2)c3cccc(OC)c3;COc1cccc(c1)C(=O)c2sc(Nc3ccccc3)nc2N;COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N","InChI=1S/C17H15N3O2S/c1-22-13-9-5-6-11(10-13)14(21)15-16(18)20-17(23-15)19-12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,19,20)","","2011-02-25","2012-10-26","[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone","2012-10-26"],["X47","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide","C26 H31 N5 O2","C(=O)(c1ncnc1)N(c2ccc(C(C)(C)C)cc2)C(c3cccnc3)C(NC4CCCC4)=O;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCC2)c3cccnc3)C(=O)c4c[nH]cn4;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4","InChI=1S/C26H31N5O2/c1-26(2,3)19-10-12-21(13-11-19)31(25(33)22-16-28-17-29-22)23(18-7-6-14-27-15-18)24(32)30-20-8-4-5-9-20/h6-7,10-17,20,23H,4-5,8-9H2,1-3H3,(H,28,29)(H,30,32)/t23-/m1/s1","","2020-03-31","2020-07-31","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide","2020-08-05"],["X48","3-hydroxy-6-phenylpyridin-2(5H)-one","C11 H9 N O2","O=C2N=C(c1ccccc1)CC=C2O;OC1=CCC(=NC1=O)c2ccccc2;c1ccc(cc1)C2=NC(=O)C(=CC2)O","InChI=1S/C11H9NO2/c13-10-7-6-9(12-11(10)14)8-4-2-1-3-5-8/h1-5,7,13H,6H2","","2013-08-12","2013-09-13","3-hydroxy-6-phenylpyridin-2(5H)-one","2013-09-18"],["X49","(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one","C16 H18 F6 N4 O2 S","FC(F)(F)CCCC1CC(=O)N(C1)Cc1c(nc2sc(COC)nn12)C(F)(F)F;COCc1sc2nc(c(CN3C[CH](CCCC(F)(F)F)CC3=O)n2n1)C(F)(F)F;COCc1nn2c(c(nc2s1)C(F)(F)F)CN3CC(CC3=O)CCCC(F)(F)F","InChI=1S/C16H18F6N4O2S/c1-28-8-11-24-26-10(13(16(20,21)22)23-14(26)29-11)7-25-6-9(5-12(25)27)3-2-4-15(17,18)19/h9H,2-8H2,1H3/t9-/m0/s1","","2023-10-20","2024-10-07","(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one","2024-05-22"],["X4A","[(2R,3S,5S)-2,3,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE","C5 H11 O8 P","O=P(OCC1(O)OC(O)CC1O)(O)O;O[CH]1C[CH](O)[C](O)(CO[P](O)(O)=O)O1;C1C(C(OC1O)(COP(=O)(O)O)O)O","InChI=1S/C5H11O8P/c6-3-1-4(7)13-5(3,8)2-12-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4-,5+/m0/s1","","2006-07-27","2011-06-04","[(2R,3S,5S)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",""],["X4B","4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C13 H11 Cl N4 O3","[O-][N+](=O)c2c(Cl)cc(NCc1cccnc1)c(C(=O)N)c2;NC(=O)c1cc(c(Cl)cc1NCc2cccnc2)[N+]([O-])=O;c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl","InChI=1S/C13H11ClN4O3/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(15)19)4-12(10)18(20)21/h1-6,17H,7H2,(H2,15,19)","","2011-03-02","2012-08-03","4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X4C","8-methyl-6-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine","C23 H21 N5","n2c1cc(ccc1n(c2CCc4nc(c3ncccn34)C)c5ccccc5)C;Cc1ccc2n(c(CCc3nc(C)c4ncccn34)nc2c1)c5ccccc5;Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C","InChI=1S/C23H21N5/c1-16-9-10-20-19(15-16)26-22(28(20)18-7-4-3-5-8-18)12-11-21-25-17(2)23-24-13-6-14-27(21)23/h3-10,13-15H,11-12H2,1-2H3","","2014-03-13","2014-05-30","8-methyl-6-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine","2014-06-04"],["X4D","7-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine","C22 H19 N5","n1c(n2ncccc2c1)CCc5nc3cc(ccc3n5c4ccccc4)C;Cc1ccc2n(c(CCc3ncc4cccnn34)nc2c1)c5ccccc5;Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5","InChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3","","2014-03-13","2014-05-30","7-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine","2014-06-04"],["X4E","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)","C53 H38 Ir N6 O S2","O=C(CCc1cccnc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1;O=C(CCc1cccnc1)NCc2ccc(nc2)c3ccccn3.s4c5ccccc5c([Ir+]c6c(sc7ccccc67)c8ccc9ccccc9n8)c4c%10ccc%11ccccc%11n%10;c1ccc2c(c1)c3c(s2)C4=CC=C5C=CC=CC5=[N]4[Ir+]367(c8c9ccccc9sc8C1=CC=C2C=CC=CC2=[N]61)[N]1=CC=CC=C1C1=CC=C(C=[N]71)CNC(=O)CCc1cccnc1","InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(9-7-15-4-3-10-20-12-15)23-14-16-6-8-18(22-13-16)17-5-1-2-11-21-17;2*1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17;/h1-6,8,10-13H,7,9,14H2,(H,23,24);2*1-10H;/q;;;+1","","2022-10-26","2023-01-27","{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)","2023-02-01"],["X4F","(3R,4S)-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol","C20 H26 N6 O","CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CNC[CH]4O)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CNCC4O","InChI=1S/C20H26N6O/c1-13(2)15-10-23-26-19(22-9-14-6-4-3-5-7-14)8-18(25-20(15)26)24-16-11-21-12-17(16)27/h3-8,10,13,16-17,21-22,27H,9,11-12H2,1-2H3,(H,24,25)/t16-,17+/m0/s1","","2023-05-31","2024-03-15","(3~{R},4~{S})-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol","2024-03-20"],["X4G","(3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol","C24 H30 F N5 O3","Fc3cnc(nc3n1cc(c(c1)C)CN2CCC(O)C2)Nc4cc(c(OCCO)c(c4)C)C;Cc1cn(cc1CN2CC[CH](O)C2)c3nc(Nc4cc(C)c(OCCO)c(C)c4)ncc3F;Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CCC(C4)O)C)F","InChI=1S/C24H30FN5O3/c1-15-8-19(9-16(2)22(15)33-7-6-31)27-24-26-10-21(25)23(28-24)30-11-17(3)18(13-30)12-29-5-4-20(32)14-29/h8-11,13,20,31-32H,4-7,12,14H2,1-3H3,(H,26,27,28)/t20-/m1/s1","","2015-01-08","2015-12-24","(3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol","2015-12-29"],["X4H","Narazaciclib","C24 H27 N7 O","CN1CCN(CC1)c1ccc(Nc2nc3N(C4CCCC4)C(=O)C(C#N)=Cc3cn2)cc1;CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C#N)C(=O)N(C5CCCC5)c4n3)cc2;CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5","InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)","8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile","2023-10-20","2024-10-18","8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile","2024-10-23"],["X4I","N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide","C22 H16 F5 N3 O3","Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO;ONC(=O)[CH](NC(=O)CNc1cc(F)cc(F)c1)c2ccc(cc2)c3cc(F)c(F)c(F)c3;c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CNc3cc(cc(c3)F)F","InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1","","2022-10-27","2023-01-13","N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide","2023-01-18"],["X4L","N7-(phenylmethyl)-3-propan-2-yl-N5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine","C20 H26 N6","CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCNC4)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CCNC4","InChI=1S/C20H26N6/c1-14(2)17-13-23-26-19(22-11-15-6-4-3-5-7-15)10-18(25-20(17)26)24-16-8-9-21-12-16/h3-7,10,13-14,16,21-22H,8-9,11-12H2,1-2H3,(H,24,25)/t16-/m1/s1","","2023-05-31","2024-03-15","~{N}7-(phenylmethyl)-3-propan-2-yl-~{N}5-[(3~{R})-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine","2024-03-20"],["X4M","(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H25 N7 O10 P2 S2","c1nc6c(n1C5C3C(C(COP(S)(OC2CC(CC2COP(S)(O3)=O)Oc4ncncc4)=O)O5)O)N=C(NC6=O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](S)(=O)O[CH]5C[CH](C[CH]5CO[P](S)(=O)O[CH]3[CH]4O)Oc6ccncn6;c1cncnc1OC2CC3COP(=O)(OC4C(C(COP(=O)(OC3C2)S)OC4n5cnc6c5N=C(NC6=O)N)O)S","InChI=1S/C20H25N7O10P2S2/c21-20-25-17-14(18(29)26-20)24-8-27(17)19-16-15(28)12(35-19)6-33-38(30,40)36-11-4-10(34-13-1-2-22-7-23-13)3-9(11)5-32-39(31,41)37-16/h1-2,7-12,15-16,19,28H,3-6H2,(H,30,40)(H,31,41)(H3,21,25,26,29)/t9-,10-,11+,12-,15-,16-,19-,38-,39-/m1/s1","","2020-11-30","2021-05-28","(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2021-06-02"],["X4N","(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C24 H36 F3 N5 O4","CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCCNC3=O)C=N)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCCNC3=O)C=N)C","InChI=1S/C24H36F3N5O4/c1-22(2,3)17(31-21(36)24(25,26)27)20(35)32-11-14-15(23(14,4)5)16(32)19(34)30-13(10-28)9-12-7-6-8-29-18(12)33/h10,12-17,28H,6-9,11H2,1-5H3,(H,29,33)(H,30,34)(H,31,36)/b28-10+/t12-,13-,14-,15-,16-,17+/m0/s1","","2023-10-22","2024-10-18","(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2024-10-23"],["X4O","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide","C16 H15 Br F N3 O3","Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO;ONC(=O)[CH](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2;c1cc(ccc1C(C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br","InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1","","2022-10-27","2023-01-13","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide","2023-01-18"],["X4P","2-chloropyridine-4-carboxamide","C6 H5 Cl N2 O","C(N)(c1cc(Cl)ncc1)=O;NC(=O)c1ccnc(Cl)c1;c1cnc(cc1C(=O)N)Cl","InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)","","2020-11-30","2020-12-04","2-chloropyridine-4-carboxamide","2020-12-09"],["X4Q","N7-(phenylmethyl)-3-propan-2-yl-N5-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine","C20 H26 N6","CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCNC4)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CCNC4","InChI=1S/C20H26N6/c1-14(2)17-13-23-26-19(22-11-15-6-4-3-5-7-15)10-18(25-20(17)26)24-16-8-9-21-12-16/h3-7,10,13-14,16,21-22H,8-9,11-12H2,1-2H3,(H,24,25)/t16-/m0/s1","","2023-05-31","2024-03-15","~{N}7-(phenylmethyl)-3-propan-2-yl-~{N}5-[(3~{S})-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine","2024-03-20"],["X4R","(2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H64 N12 O5 S2","C[CH]1CN(CCCCCC(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C)CCCN1c5nccc(n5)c6noc(n6)[C]7(C)CCCc8sc(N)c(C#N)c78;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCN4CCCN(C(C4)C)c5nccc(n5)c6nc(on6)C7(CCCc8c7c(c(s8)N)C#N)C)O","InChI=1S/C50H64N12O5S2/c1-30-27-60(22-11-23-61(30)48-53-20-18-36(56-48)44-58-47(67-59-44)50(6)19-10-12-38-40(50)35(25-51)43(52)69-38)21-9-7-8-13-39(64)57-42(49(3,4)5)46(66)62-28-34(63)24-37(62)45(65)54-26-32-14-16-33(17-15-32)41-31(2)55-29-68-41/h14-18,20,29-30,34,37,42,63H,7-13,19,21-24,26-28,52H2,1-6H3,(H,54,65)(H,57,64)/t30-,34+,37-,42+,50-/m0/s1","","2023-10-23","2023-12-01","(2~{S},4~{R})-1-[(2~{S})-2-[6-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-12-06"],["X4S","beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr\nanose","C20 H34 O14 S3","S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C4OCC(SC3OCC(O)C(O)C3O)C(O)C4O;O[CH]1CO[CH](S[CH]2CO[CH](S[CH]3CO[CH](S[CH]4CO[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(O1)SC2COC(C(C2O)O)SC3COC(C(C3O)O)SC4COC(C(C4O)O)O)O)O)O","InChI=1S/C20H34O14S3/c21-5-1-32-18(14(27)9(5)22)36-7-3-34-20(16(29)11(7)24)37-8-4-33-19(15(28)12(8)25)35-6-2-31-17(30)13(26)10(6)23/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20+/m1/s1","thio-linked xylotetraose","2008-06-18","2020-07-17","beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose",""],["X4T","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide","C16 H16 Br N3 O3","Brc1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO;ONC(=O)[CH](NC(=O)CNc1ccccc1)c2ccc(Br)cc2;c1ccc(cc1)NCC(=O)NC(c2ccc(cc2)Br)C(=O)NO","InChI=1S/C16H16BrN3O3/c17-12-8-6-11(7-9-12)15(16(22)20-23)19-14(21)10-18-13-4-2-1-3-5-13/h1-9,15,18,23H,10H2,(H,19,21)(H,20,22)/t15-/m1/s1","","2022-10-27","2023-01-13","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide","2023-01-18"],["X4U","Citarinostat","C24 H26 Cl N5 O3","ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1;ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3Cl;c1ccc(cc1)N(c2ccccc2Cl)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO","InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)","2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide","2023-05-31","2023-11-01","2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide","2023-09-06"],["X4V","N~4~,N~4~-dimethylpyridine-2,4-diamine","C7 H11 N3","CN(C)c1ccnc(c1)N;CN(C)c1ccnc(N)c1;CN(C)c1ccnc(c1)N","InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)","","2020-11-30","2020-12-04","N~4~,N~4~-dimethylpyridine-2,4-diamine","2020-12-09"],["X4W","(6P)-6-[(4S)-imidazo[1,2-a]pyridin-3-yl]-4-[(1R)-1-phenylethyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","C22 H18 N4 O2","CC(N1c2nc(ccc2OCC1=O)c1cnc2ccccn21)c1ccccc1;C[CH](N1C(=O)COc2ccc(nc12)c3cnc4ccccn34)c5ccccc5;CC(c1ccccc1)N2c3c(ccc(n3)c4cnc5n4cccc5)OCC2=O","InChI=1S/C22H18N4O2/c1-15(16-7-3-2-4-8-16)26-21(27)14-28-19-11-10-17(24-22(19)26)18-13-23-20-9-5-6-12-25(18)20/h2-13,15H,14H2,1H3/t15-/m1/s1","","2023-10-23","2024-10-18","(6P)-6-[(4S)-imidazo[1,2-a]pyridin-3-yl]-4-[(1R)-1-phenylethyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","2024-10-23"],["X4X","(9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide","C20 H37 N O3","OCCNC(=O)CCCCCCCC(O)C=CC=C/CCCCC;CCCCCC=CC=C[CH](O)CCCCCCCC(=O)NCCO;CCCCCC=CC=CC(CCCCCCCC(=O)NCCO)O","InChI=1S/C20H37NO3/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-20(24)21-17-18-22/h6,8,11,14,19,22-23H,2-5,7,9-10,12-13,15-18H2,1H3,(H,21,24)/b8-6-,14-11+/t19-/m0/s1","","2022-10-27","2024-05-24","(9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide","2024-05-29"],["X4Y","(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine","C9 H18 N2 O","C2C(C1CC(N)ON1)CCCC2;N[CH]1C[CH](NO1)C2CCCCC2;C1CCC(CC1)C2CC(ON2)N","InChI=1S/C9H18N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h7-9,11H,1-6,10H2/t8-,9+/m0/s1","","2020-11-30","2020-12-04","(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine","2020-12-09"],["X4Z","(3E)-N-[(1S)-2-(DIMETHYLAMINO)-1-PHENYLETHYL]-6,6-DIMETHYL-3-[(2-METHYLTHIENO[3,2-D]PYRIMIDIN-4-YL)IMINO]-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE","C25 H28 N8 O S","O=C(NC(c1ccccc1)CN(C)C)N5C(C=4N=NC(=Nc3nc(nc2c3scc2)C)C=4C5)(C)C;CN(C)C[CH](NC(=O)N1CC2=C(N=NC2=Nc3nc(C)nc4ccsc34)C1(C)C)c5ccccc5;Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)NC(CN(C)C)c5ccccc5)(C)C)N=N3","InChI=1S/C25H28N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)/b29-22+/t19-/m1/s1","PF-0375830","2010-02-03","2022-02-08","(3E)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3H)-carboxamide",""],["X50","(3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol","C22 H30 N6 O2","CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C]4(O)CCNC[CH]4O)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCC4(CCNCC4O)O","InChI=1S/C22H30N6O2/c1-15(2)17-12-26-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)25-14-22(30)8-9-23-13-18(22)29/h3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,25,27)/t18-,22-/m1/s1","","2023-05-31","2024-03-15","(3~{R},4~{R})-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol","2024-03-20"],["X51","1-[(4-aminobutyl)amino]ethane-1,1-diol","C6 H16 N2 O2","CC(O)(NCCCCN)O;CC(O)(O)NCCCCN;CC(NCCCCN)(O)O","InChI=1S/C6H16N2O2/c1-6(9,10)8-5-3-2-4-7/h8-10H,2-5,7H2,1H3","","2020-11-30","2021-01-29","1-[(4-aminobutyl)amino]ethane-1,1-diol","2021-02-03"],["X52","N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide","C22 H28 N6 O2 S2","CCc1c(C#N)c(N(CCNC)C)nc(c1C#N)SCc2ccc(cc2)N(C)S(C)(=O)=O;CCc1c(C#N)c(SCc2ccc(cc2)N(C)[S](C)(=O)=O)nc(N(C)CCNC)c1C#N;CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N","InChI=1S/C22H28N6O2S2/c1-6-18-19(13-23)21(27(3)12-11-25-2)26-22(20(18)14-24)31-15-16-7-9-17(10-8-16)28(4)32(5,29)30/h7-10,25H,6,11-12,15H2,1-5H3","","2020-06-03","2021-07-02","N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide","2021-07-07"],["X53","(2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C50 H60 N12 O6 S2","CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)c4onc(OCCCCN5CCCN([CH](C)C5)c6nccc(n6)c7noc(n7)[C]8(C)CCCc9sc(N)c(C#N)c89)c4;Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCCCN5CCCN(C(C5)C)c6nccc(n6)c7nc(on7)C8(CCCc9c8c(c(s9)N)C#N)C)C(C)C)O","InChI=1S/C50H60N12O6S2/c1-29(2)41(47(65)62-27-34(63)22-37(62)46(64)54-25-32-11-13-33(14-12-32)43-31(4)55-28-69-43)38-23-40(58-67-38)66-21-7-6-18-60-19-9-20-61(30(3)26-60)49-53-17-15-36(56-49)45-57-48(68-59-45)50(5)16-8-10-39-42(50)35(24-51)44(52)70-39/h11-15,17,23,28-30,34,37,41,63H,6-10,16,18-22,25-27,52H2,1-5H3,(H,54,64)/t30-,34+,37-,41+,50-/m0/s1","","2023-10-23","2023-12-01","(2~{S},4~{R})-1-[(2~{R})-2-[3-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","2023-12-06"],["X54","1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol","C9 H23 N3 O2","C(CCNCCCCNC(C)(O)O)N;CC(O)(O)NCCCCNCCCN;CC(NCCCCNCCCN)(O)O","InChI=1S/C9H23N3O2/c1-9(13,14)12-8-3-2-6-11-7-4-5-10/h11-14H,2-8,10H2,1H3","","2020-11-30","2021-01-29","1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol","2021-02-03"],["X55","(2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one","C17 H16 Br N O3 S","O=C2N(Cc1ccccc1)C(SC2)c3cc(OC)c(O)cc3Br;COc1cc([CH]2SCC(=O)N2Cc3ccccc3)c(Br)cc1O;COc1cc(c(cc1O)Br)C2N(C(=O)CS2)Cc3ccccc3","InChI=1S/C17H16BrNO3S/c1-22-15-7-12(13(18)8-14(15)20)17-19(16(21)10-23-17)9-11-5-3-2-4-6-11/h2-8,17,20H,9-10H2,1H3/t17-/m1/s1","","2009-09-14","2011-06-04","(2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one",""],["X56","Cefazolin","C14 H14 N8 O4 S3","Cc1sc(SCC2=C(N3[CH](SC2)[CH](NC(=O)Cn4cnnn4)C3=O)C(O)=O)nn1;Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O","InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1","","2023-10-30","2024-11-13","(6~{R},7~{R})-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","2024-08-07"],["X57","(2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid","C10 H14 F N3 O5","O=C(C1C=C(C)C(NOC(C(=O)O)F)CN1C=O)N;CC1=C[CH](N(C[CH]1NO[CH](F)C(O)=O)C=O)C(N)=O;CC1=CC(N(CC1NOC(C(=O)O)F)C=O)C(=O)N","InChI=1S/C10H14FN3O5/c1-5-2-7(9(12)16)14(4-15)3-6(5)13-19-8(11)10(17)18/h2,4,6-8,13H,3H2,1H3,(H2,12,16)(H,17,18)/t6-,7-,8-/m0/s1","","2020-01-13","2024-09-27","(2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid","2020-08-26"],["X58","(3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol","C22 H30 N6 O2","CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C]4(O)CCNC[CH]4O)nc12;CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCC4(CCNCC4O)O","InChI=1S/C22H30N6O2/c1-15(2)17-12-26-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)25-14-22(30)8-9-23-13-18(22)29/h3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,25,27)/t18-,22-/m0/s1","","2023-05-31","2024-03-15","(3~{S},4~{S})-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol","2024-03-20"],["X59","4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid","C21 H21 N3 O4","COc1ccc(OC(C)C)cc1Nc2cncc(n2)c3ccc(cc3)C(O)=O;CC(C)Oc1ccc(c(c1)Nc2cncc(n2)c3ccc(cc3)C(=O)O)OC","InChI=1S/C21H21N3O4/c1-13(2)28-16-8-9-19(27-3)17(10-16)23-20-12-22-11-18(24-20)14-4-6-15(7-5-14)21(25)26/h4-13H,1-3H3,(H,23,24)(H,25,26)","","2023-10-23","2024-01-12","4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid","2024-01-17"],["X5A","N-(4-aminobutyl)acetamide","C6 H14 N2 O","CC(NCCCCN)=O;CC(=O)NCCCCN;CC(=O)NCCCCN","InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)","N-Acetylputrescine","2020-11-30","2021-01-29","N-(4-aminobutyl)acetamide","2021-02-03"],["X5B","(2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol","C26 H31 Cl N4 O4","Clc1cc(cc(c1)NCCc1ccc(CCN2CC(O)C(O)C(O)C2CO)cc1)c1cccnn1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCc2ccc(CCNc3cc(Cl)cc(c3)c4cccnn4)cc2;c1cc(nnc1)c2cc(cc(c2)Cl)NCCc3ccc(cc3)CCN4CC(C(C(C4CO)O)O)O","InChI=1S/C26H31ClN4O4/c27-20-12-19(22-2-1-9-29-30-22)13-21(14-20)28-10-7-17-3-5-18(6-4-17)8-11-31-15-24(33)26(35)25(34)23(31)16-32/h1-6,9,12-14,23-26,28,32-35H,7-8,10-11,15-16H2/t23-,24+,25-,26-/m1/s1","","2022-10-27","2023-02-17","(2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["X5C","N-[(2S)-1-[[(2S)-1-[[(1S)-1-[(2S,3R,5S,6R)-3-(hydroxymethyl)-5-methanoyl-2,3,6-trimethyl-morpholin-2-yl]-2-phenyl-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]hexanamide","C45 H56 N6 O6","CCCCCC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(=O)N[CH](Cc5ccccc5)[C]6(C)O[CH](C)[CH](N[C]6(C)CO)C=O;CCCCCC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)NC(Cc5ccccc5)C6(C(NC(C(O6)C)C=O)(C)CO)C","InChI=1S/C45H56N6O6/c1-5-6-8-21-41(54)48-37(23-31-25-46-35-19-13-11-17-33(31)35)42(55)49-38(24-32-26-47-36-20-14-12-18-34(32)36)43(56)50-40(22-30-15-9-7-10-16-30)45(4)44(3,28-53)51-39(27-52)29(2)57-45/h7,9-20,25-27,29,37-40,46-47,51,53H,5-6,8,21-24,28H2,1-4H3,(H,48,54)(H,49,55)(H,50,56)/t29-,37+,38+,39-,40+,44-,45+/m1/s1","proteasome inhibitor CP-17","2023-05-31","2024-09-27","~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{S})-1-[(2~{S},3~{R},5~{S},6~{R})-3-(hydroxymethyl)-5-methanoyl-2,3,6-trimethyl-morpholin-2-yl]-2-phenyl-ethyl]amino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]hexanamide","2024-05-22"],["X5D","(2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H25 N7 O12 P2","c1nc6c(n1C5C3C(C(COP(O)(OC2CC(CC2COP(=O)(O3)O)Oc4ncncc4)=O)O5)O)N=C(NC6=O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5C[CH](C[CH]5CO[P](O)(=O)O[CH]3[CH]4O)Oc6ccncn6;c1cncnc1OC2CC3COP(=O)(OC4C(C(COP(=O)(OC3C2)O)OC4n5cnc6c5N=C(NC6=O)N)O)O","InChI=1S/C20H25N7O12P2/c21-20-25-17-14(18(29)26-20)24-8-27(17)19-16-15(28)12(37-19)6-35-40(30,31)38-11-4-10(36-13-1-2-22-7-23-13)3-9(11)5-34-41(32,33)39-16/h1-2,7-12,15-16,19,28H,3-6H2,(H,30,31)(H,32,33)(H3,21,25,26,29)/t9-,10-,11+,12-,15-,16-,19-/m1/s1","","2020-11-30","2022-02-04","(2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2022-02-09"],["X5E","4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid","C22 H19 N3 O3","CC(C)Oc1ccc2ccn(c3cncc(n3)c4ccc(cc4)C(O)=O)c2c1;CC(C)Oc1ccc2ccn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O","InChI=1S/C22H19N3O3/c1-14(2)28-18-8-7-16-9-10-25(20(16)11-18)21-13-23-12-19(24-21)15-3-5-17(6-4-15)22(26)27/h3-14H,1-2H3,(H,26,27)","","2023-10-23","2024-01-12","4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid","2024-01-17"],["X5F","2-[[(2~{R})-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-6-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethoxy]ethylamino]benzoic acid","C24 H29 N5 O10 S","O=S(N)(=O)c1ccc(cc1)C(=O)NCCOCCNc1cccc(C(=O)NC(CCC(=O)O)C(N)=O)c1C(=O)O;NC(=O)[CH](CCC(O)=O)NC(=O)c1cccc(NCCOCCNC(=O)c2ccc(cc2)[S](N)(=O)=O)c1C(O)=O;c1cc(c(c(c1)NCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)N","InChI=1S/C24H29N5O10S/c25-21(32)18(8-9-19(30)31)29-23(34)16-2-1-3-17(20(16)24(35)36)27-10-12-39-13-11-28-22(33)14-4-6-15(7-5-14)40(26,37)38/h1-7,18,27H,8-13H2,(H2,25,32)(H,28,33)(H,29,34)(H,30,31)(H,35,36)(H2,26,37,38)/t18-/m1/s1","","2022-10-28","2023-02-17","2-{[(2R)-1-amino-4-carboxy-1-oxobutan-2-yl]carbamoyl}-6-({2-[2-(4-sulfamoylbenzamido)ethoxy]ethyl}amino)benzoic acid (non-preferred name)","2023-02-22"],["X5G","1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol","C27 H36 N6 O2","O(c4c(cc(Nc3nc(n1cc(c(c1)CN2CC(O)C2)C)ccn3)cc4C)C)CCN5CCCC5;Cc1cn(cc1CN2CC(O)C2)c3ccnc(Nc4cc(C)c(OCCN5CCCC5)c(C)c4)n3;Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C","InChI=1S/C27H36N6O2/c1-19-12-23(13-20(2)26(19)35-11-10-31-8-4-5-9-31)29-27-28-7-6-25(30-27)33-14-21(3)22(16-33)15-32-17-24(34)18-32/h6-7,12-14,16,24,34H,4-5,8-11,15,17-18H2,1-3H3,(H,28,29,30)","","2015-01-08","2015-12-24","1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol","2015-12-29"],["X5H","(~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid","C8 H13 N O4","OC(=O)CCC=CCNCC(O)=O;C(CC(=O)O)C=CCNCC(=O)O","InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+","","2023-05-31","2024-09-27","(~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid","2023-06-07"],["X5I","(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","C21 H23 N5 O2","O=C1COc2ccc(nc2N1CC1CCCCCN1)c1cnc2ccccn21;O=C1COc2ccc(nc2N1C[CH]3CCCCCN3)c4cnc5ccccn45;c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)CC5CCCCCN5","InChI=1S/C21H23N5O2/c27-20-14-28-18-9-8-16(17-12-23-19-7-3-5-11-25(17)19)24-21(18)26(20)13-15-6-2-1-4-10-22-15/h3,5,7-9,11-12,15,22H,1-2,4,6,10,13-14H2/t15-/m1/s1","","2023-10-23","2024-11-01","(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","2024-11-06"],["X5J","(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","C20 H26 N8 O9 P2 S2","c1nc6c(n1C2OC3COP(=O)(OC4CC(CC4COP(=O)(OC2C3O)S)Nc5ncncc5)S)N=C(NC6=O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](S)(=O)O[CH]5C[CH](C[CH]5CO[P](S)(=O)O[CH]3[CH]4O)Nc6ccncn6;c1cncnc1NC2CC3COP(=O)(OC4C(C(COP(=O)(OC3C2)S)OC4n5cnc6c5N=C(NC6=O)N)O)S","InChI=1S/C20H26N8O9P2S2/c21-20-26-17-14(18(30)27-20)24-8-28(17)19-16-15(29)12(35-19)6-34-38(31,40)36-11-4-10(25-13-1-2-22-7-23-13)3-9(11)5-33-39(32,41)37-16/h1-2,7-12,15-16,19,29H,3-6H2,(H,31,40)(H,32,41)(H,22,23,25)(H3,21,26,27,30)/t9-,10-,11+,12-,15-,16-,19-,38-,39-/m1/s1","","2020-11-30","2021-05-28","(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione","2021-06-02"],["X5K","N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","C48 H69 N13 O5 S","Cc1n(C)nc(C)c1CN(C)c1nc(nc(n1)N(C)CCC(=O)NC1CC1)N1CCC(CC1)CCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C;CN(CCC(=O)NC1CC1)c2nc(nc(n2)N3CCC(CC3)CCC(=O)N[CH](C(=O)N4C[CH](O)C[CH]4C(=O)NCc5ccc(cc5)c6scnc6C)C(C)(C)C)N(C)Cc7c(C)nn(C)c7C;Cc1c(c(n(n1)C)C)CN(C)c2nc(nc(n2)N(C)CCC(=O)NC3CC3)N4CCC(CC4)CCC(=O)NC(C(=O)N5CC(CC5C(=O)NCc6ccc(cc6)c7c(ncs7)C)O)C(C)(C)C","InChI=1S/C48H69N13O5S/c1-29-37(31(3)59(9)56-29)27-58(8)46-53-45(57(7)21-20-40(64)51-35-15-16-35)54-47(55-46)60-22-18-32(19-23-60)12-17-39(63)52-42(48(4,5)6)44(66)61-26-36(62)24-38(61)43(65)49-25-33-10-13-34(14-11-33)41-30(2)50-28-67-41/h10-11,13-14,28,32,35-36,38,42,62H,12,15-27H2,1-9H3,(H,49,65)(H,51,64)(H,52,63)/t36-,38+,42-/m1/s1","","2022-10-28","2023-09-29","N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide","2023-10-04"],["X5L","(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid","C13 H25 N3 O7 S2","CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O;CC(C)C(NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N)S(=O)(=O)O","InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12-/m0/s1","","2023-05-31","2024-06-07","(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid","2024-06-12"],["X5M","(5R,6P)-6-[4-(diethylamino)-3-nitrophenyl]-5-methyl-4,5-dihydropyridazin-3(2H)-one","C15 H20 N4 O3","CCN(CC)c1ccc(cc1[N+]([O-])=O)C1=NNC(=O)CC1C;CCN(CC)c1ccc(cc1[N+]([O-])=O)C2=NNC(=O)C[CH]2C;CCN(CC)c1ccc(cc1[N+](=O)[O-])C2=NNC(=O)CC2C","InChI=1S/C15H20N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)/t10-/m1/s1","","2020-12-01","2026-04-06","(5R,6P)-6-[4-(diethylamino)-3-nitrophenyl]-5-methyl-4,5-dihydropyridazin-3(2H)-one","2021-06-09"],["X5N","(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","C19 H19 N5 O2","O=C1COc2ccc(nc2N1C1CCNCC1)c1cnc2ccccn21;O=C1COc2ccc(nc2N1C3CCNCC3)c4cnc5ccccn45;c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)C5CCNCC5","InChI=1S/C19H19N5O2/c25-18-12-26-16-5-4-14(15-11-21-17-3-1-2-10-23(15)17)22-19(16)24(18)13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9,12H2","","2023-10-23","2024-10-18","(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","2024-10-23"],["X5O","denifanstat","C27 H29 N5 O","O=C(c1cc(c2nnc(C)[NH]2)c(cc1C)C1CCC1)N1CCC(CC1)c1ccc(C#N)cc1;Cc1[nH]c(nn1)c2cc(c(C)cc2C3CCC3)C(=O)N4CCC(CC4)c5ccc(cc5)C#N;Cc1cc(c(cc1C(=O)N2CCC(CC2)c3ccc(cc3)C#N)c4[nH]c(nn4)C)C5CCC5","InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)","4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile","2022-10-28","2023-05-19","4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile","2023-05-24"],["X5P","4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid","C7 H11 N O5","C[CH](NC(=O)CCC(O)=O)C(O)=O;CC(C(=O)O)NC(=O)CCC(=O)O","InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1","","2023-05-31","2024-09-27","4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid","2023-06-14"],["X5R","methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate","C15 H12 F2 N2 O4","O=C1C(=Cc2cc(F)c(O)c(F)c2)N=C(/C=C/C(=O)OC)N1C;COC(=O)C=CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1C;CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=CC(=O)OC","InChI=1S/C15H12F2N2O4/c1-19-12(3-4-13(20)23-2)18-11(15(19)22)7-8-5-9(16)14(21)10(17)6-8/h3-7,21H,1-2H3/b4-3+,11-7-","","2022-10-31","2023-05-05","methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate","2023-05-10"],["X5S","beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr\nanosyl-(1->4)-4-thio-beta-D-xylopyranose","C25 H42 O17 S4","S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O;O[CH]1CO[CH](S[CH]2CO[CH](S[CH]3CO[CH](S[CH]4CO[CH](S[CH]5CO[CH](O)[CH](O)[CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O;C1C(C(C(C(O1)SC2COC(C(C2O)O)SC3COC(C(C3O)O)SC4COC(C(C4O)O)SC5COC(C(C5O)O)O)O)O)O","InChI=1S/C25H42O17S4/c26-6-1-39-22(17(33)11(6)27)44-8-3-41-24(19(35)13(8)29)46-10-5-42-25(20(36)15(10)31)45-9-4-40-23(18(34)14(9)30)43-7-2-38-21(37)16(32)12(7)28/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+/m1/s1","thio-linked xylopentaose","2008-06-18","2020-07-17","beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose",""],["X5T","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","C37 H49 N9 O16 P2","COCCO[CH]1CC[CH](CC1)NC2=CC(=O)N(C)c3ccc(cc23)c4cnn(c4)[CH]5O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O;CN1c2ccc(cc2C(=CC1=O)NC3CCC(CC3)OCCOC)c4cnn(c4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O","InChI=1S/C37H49N9O16P2/c1-44-25-8-3-19(11-23(25)24(12-28(44)47)43-21-4-6-22(7-5-21)57-10-9-56-2)20-13-42-46(14-20)37-33(51)31(49)27(61-37)16-59-64(54,55)62-63(52,53)58-15-26-30(48)32(50)36(60-26)45-18-41-29-34(38)39-17-40-35(29)45/h3,8,11-14,17-18,21-22,26-27,30-33,36-37,43,48-51H,4-7,9-10,15-16H2,1-2H3,(H,52,53)(H,54,55)(H2,38,39,40)/t21-,22-,26-,27-,30-,31-,32-,33-,36-,37-/m1/s1","","2023-06-01","2023-07-21","[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate","2023-07-26"],["X5U","(S)-alpha-methyl-4-Iodophenylalanine","C10 H12 I N O2","C[C](N)(Cc1ccc(I)cc1)C(O)=O;CC(Cc1ccc(cc1)I)(C(=O)O)N","InChI=1S/C10H12INO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1","(2S)-2-azanyl-3-(4-iodophenyl)-2-methyl-propanoic acid; 4-Iodo-alpha-methyl-L-phenylalanine","2023-10-23","2024-11-29","(2~{S})-2-azanyl-3-(4-iodophenyl)-2-methyl-propanoic acid","2024-12-04"],["X5V","N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine","C17 H16 N2 O8","Oc1c(cccc1O)C(=O)NC(C(=O)O)C(O)Cc1ccc(cc1)[N+]([O-])=O;O[CH](Cc1ccc(cc1)[N+]([O-])=O)[CH](NC(=O)c2cccc(O)c2O)C(O)=O;c1cc(c(c(c1)O)O)C(=O)NC(C(Cc2ccc(cc2)[N+](=O)[O-])O)C(=O)O","InChI=1S/C17H16N2O8/c20-12-3-1-2-11(15(12)22)16(23)18-14(17(24)25)13(21)8-9-4-6-10(7-5-9)19(26)27/h1-7,13-14,20-22H,8H2,(H,18,23)(H,24,25)/t13-,14+/m1/s1","","2022-10-31","2026-04-06","N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine","2023-02-08"],["X5W","[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron","C27 H25 B N3 O6","COc1ccc2c(OC)cc(nc2c1)C(=O)Nc3cc(cc(c3)C(=O)N(C)Cc4ccccc4)[B](O)=O;B(=O)(c1cc(cc(c1)NC(=O)c2cc(c3ccc(cc3n2)OC)OC)C(=O)N(C)Cc4ccccc4)O","InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32)","","2023-06-02","2025-10-23","[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron","2024-02-07"],["X5X","(2R,4S)-2-[(1R)-2-[[(5S)-5-acetamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C24 H34 N4 O7 S","CC(=O)N[CH](CCCCNC(=O)[CH](NC(=O)Cc1ccccc1)[CH]2N[CH](C(O)=O)C(C)(C)S2)C(O)=O;CC(=O)NC(CCCCNC(=O)C(C1NC(C(S1)(C)C)C(=O)O)NC(=O)Cc2ccccc2)C(=O)O","InChI=1S/C24H34N4O7S/c1-14(29)26-16(22(32)33)11-7-8-12-25-20(31)18(21-28-19(23(34)35)24(2,3)36-21)27-17(30)13-15-9-5-4-6-10-15/h4-6,9-10,16,18-19,21,28H,7-8,11-13H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)(H,32,33)(H,34,35)/t16-,18+,19-,21+/m0/s1","PenG-Lys","2023-10-23","2024-07-26","(2~{R},4~{S})-2-[(1~{R})-2-[[(5~{S})-5-acetamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","2024-07-31"],["X5Y","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C31 H39 N3 O3 S","C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3","InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1","","2020-12-01","2021-01-15","tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2021-01-20"],["X5Z","AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT","C15 H23 Co N8 O4","C=Cc1cc[n+](cc1)[Co]12(N=[N+]=[N-])(N(O)C(C)=C(C)N1O)N(O)C(C)=C(C)N2O;CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3;CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C","InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;2*1-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;2*7-8H,1-2H3;;/q;2*-2;+6;-1/b;2*4-3-;;","","2022-10-31","2024-02-07","azidobis[N~2~,N~3~-dihydroxybut-2-ene-2,3-diaminato(2-)-kappa~2~N,N'](4-ethenylpyridine)cobalt(1+)","2022-11-23"],["X60","2-ethyl-L-norvaline","C7 H15 N O2","CCCC(N)(CC)C(=O)O;CCC[C](N)(CC)C(O)=O;CCCC(CC)(C(=O)O)N","InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1","","2023-06-02","2024-09-27","2-ethyl-L-norvaline","2023-08-16"],["X62","4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide","C12 H9 Cl2 N5 O3","Clc1ncc(cn1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N;NC(=O)c1cc(c(Cl)cc1NCc2cnc(Cl)nc2)[N+]([O-])=O;c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N","InChI=1S/C12H9Cl2N5O3/c13-8-2-9(7(11(15)20)1-10(8)19(21)22)16-3-6-4-17-12(14)18-5-6/h1-2,4-5,16H,3H2,(H2,15,20)","","2011-03-02","2012-08-03","4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide",""],["X63","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide","C14 H17 N7 O4","[O-][N+](=O)c2c(NCCO)cc(NCc1cnc(nc1)N)c(C(=O)N)c2;NC(=O)c1cc(c(NCCO)cc1NCc2cnc(N)nc2)[N+]([O-])=O;c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N","InChI=1S/C14H17N7O4/c15-13(23)9-3-12(21(24)25)11(17-1-2-22)4-10(9)18-5-8-6-19-14(16)20-7-8/h3-4,6-7,17-18,22H,1-2,5H2,(H2,15,23)(H2,16,19,20)","","2011-03-02","2012-08-03","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide",""],["X64","4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","C16 H13 N5 O5 S2","[O-][N+](=O)c1ccccc1C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccccc3[N+]([O-])=O;c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]","InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)","","2011-03-03","2012-10-26","4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide","2012-10-26"],["X65","5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide","C14 H14 N4 O5 S","O=S(=O)(N)c1ccc(cc1)CNc2ccc([N+]([O-])=O)cc2C(=O)N;NC(=O)c1cc(ccc1NCc2ccc(cc2)[S](N)(=O)=O)[N+]([O-])=O;c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N","InChI=1S/C14H14N4O5S/c15-14(19)12-7-10(18(20)21)3-6-13(12)17-8-9-1-4-11(5-2-9)24(16,22)23/h1-7,17H,8H2,(H2,15,19)(H2,16,22,23)","","2011-03-03","2012-08-03","5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide",""],["X66","2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol","C9 H9 N5 O2","n1c(nc(nc1c2c(O)ccc(O)c2)N)N;Nc1nc(N)nc(n1)c2cc(O)ccc2O;c1cc(c(cc1O)c2nc(nc(n2)N)N)O","InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)5-3-4(15)1-2-6(5)16/h1-3,15-16H,(H4,10,11,12,13,14)","","2011-03-11","2012-08-03","2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol",""],["X67","2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol","C9 H8 F N5 O","Fc1cc(c(O)cc1)c2nc(nc(n2)N)N;Nc1nc(N)nc(n1)c2cc(F)ccc2O;c1cc(c(cc1F)c2nc(nc(n2)N)N)O","InChI=1S/C9H8FN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)","","2011-03-11","2012-08-03","2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol",""],["X68","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide","C16 H15 Br F N3 O3","Brc1ccc(cc1)C(NC(=O)CNc1cccc(F)c1)C(=O)NO;ONC(=O)[CH](NC(=O)CNc1cccc(F)c1)c2ccc(Br)cc2;c1cc(cc(c1)F)NCC(=O)NC(c2ccc(cc2)Br)C(=O)NO","InChI=1S/C16H15BrFN3O3/c17-11-6-4-10(5-7-11)15(16(23)21-24)20-14(22)9-19-13-3-1-2-12(18)8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1","","2022-10-31","2023-01-13","N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide","2023-01-18"],["X69","4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C14 H14 N4 O4","[O-][N+](=O)c2c(OC)cc(NCc1cccnc1)c(C(=O)N)c2;COc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O;COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2","InChI=1S/C14H14N4O4/c1-22-13-6-11(17-8-9-3-2-4-16-7-9)10(14(15)19)5-12(13)18(20)21/h2-7,17H,8H2,1H3,(H2,15,19)","","2011-03-11","2012-08-03","4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X6A","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide","C12 H11 Cl N6 O3","[O-][N+](=O)c2c(Cl)cc(NCc1cnc(nc1)N)c(C(=O)N)c2;NC(=O)c1cc(c(Cl)cc1NCc2cnc(N)nc2)[N+]([O-])=O;c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N","InChI=1S/C12H11ClN6O3/c13-8-2-9(7(11(14)20)1-10(8)19(21)22)16-3-6-4-17-12(15)18-5-6/h1-2,4-5,16H,3H2,(H2,14,20)(H2,15,17,18)","","2011-03-02","2012-08-03","2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide",""],["X6B","4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","C16 H14 F N5 O3 S2","Fc1cccc(c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N;Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3cccc(F)c3;c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N","InChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25)","","2011-03-29","2012-10-26","4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide","2012-10-26"],["X6C","(2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide","C17 H19 N3 O4","O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2)cc3)C;CC(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3ocnc3;CC(=O)N1CC(CC1C(=O)NCc2ccc(cc2)c3cnco3)O","InChI=1S/C17H19N3O4/c1-11(21)20-9-14(22)6-15(20)17(23)19-7-12-2-4-13(5-3-12)16-8-18-10-24-16/h2-5,8,10,14-15,22H,6-7,9H2,1H3,(H,19,23)/t14-,15+/m1/s1","","2013-04-29","2014-09-05","(4R)-1-acetyl-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide","2013-11-27"],["X6D","6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE","C28 H30 Br Cl N6 O","Clc1ccc(cc1)CN6CCN(c2c(Br)cnc3nc(nc23)c4ccc(cc4)CN5CCOCC5)CC6;Clc1ccc(CN2CCN(CC2)c3c(Br)cnc4[nH]c(nc34)c5ccc(CN6CCOCC6)cc5)cc1;c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl","InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33)","CTT137444","2010-02-17","2020-06-17","6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3H-imidazo[4,5-b]pyridine",""],["X6E","2-ethyl-D-norvaline","C7 H15 N O2","CCCC(N)(CC)C(=O)O;CCC[C](N)(CC)C(O)=O;CCCC(CC)(C(=O)O)N","InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1","","2023-06-02","2024-09-27","2-ethyl-D-norvaline","2023-08-16"],["X6G","1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol","C20 H24 N6 O","n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc4cc(cc(c4)C)C;Cc1cc(C)cc(Nc2nccc(n2)n3cc(CN4CC(O)C4)c(C)n3)c1;Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C","InChI=1S/C20H24N6O/c1-13-6-14(2)8-17(7-13)22-20-21-5-4-19(23-20)26-10-16(15(3)24-26)9-25-11-18(27)12-25/h4-8,10,18,27H,9,11-12H2,1-3H3,(H,21,22,23)","","2015-01-09","2015-12-24","1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol","2015-12-29"],["X6H","(4aM,9M)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydropyrimido[1,2-a]purine-6,10-dione","C13 H14 N5 O8 P","O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=C1NC(=O)C=CN1C2=O;O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CC(=O)NC4=Nc23;c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC(=O)C=CN4C2=O","InChI=1S/C13H14N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h1-2,5-7,9,19H,3-4H2,(H,15,16,20)(H2,22,23,24)/t6-,7+,9+/m0/s1","","2022-10-31","2023-07-28","(4aM,9M)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydropyrimido[1,2-a]purine-6,10-dione","2023-08-02"],["X6I","S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine","C13 H20 N3 O7 P S","Oc1c(/C=N/CCSCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=NCCSC[CH](N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCSCC(C(=O)O)N)O","InChI=1S/C13H20N3O7PS/c1-8-12(17)10(9(4-16-8)6-23-24(20,21)22)5-15-2-3-25-7-11(14)13(18)19/h4-5,11,17H,2-3,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-5+/t11-/m0/s1","","2023-06-02","2024-06-28","S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine","2024-07-03"],["X6J","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C35 H41 N3 O3 S","C(C(Cc1cccc2ccccc12)NC(OC(C)(C)C)=O)SC(C(=O)NCCCc3cccnc3)Cc4ccccc4;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCCc4cccnc4","InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m1/s1","","2020-12-01","2021-01-15","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2021-01-20"],["X6K","3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL","C19 H16 N4 O3","n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5;Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2;c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5","InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2","PI-103","2010-02-17","2021-03-01","3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol",""],["X6L","2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one","C19 H15 N5 O2 S","O=C(c2ccc(c1ccccc1)cc2)CSc4nc3c(N=C(N)NC3=O)n4;NC1=Nc2[nH]c(SCC(=O)c3ccc(cc3)c4ccccc4)nc2C(=O)N1;c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N","InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)","","2014-04-02","2015-01-23","2-amino-8-{[2-(biphenyl-4-yl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one","2015-01-28"],["X6M","N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","C52 H59 F4 N9 O7 S","N1(C(C)CN(CC1C)c2ccc(cc2NC(C3=CNC(=O)C=C3C(F)(F)F)=O)c4c(ccc(c4)C(NCC(NC(C(=O)N7C(C(NC(C)c5ccc(cc5)c6scnc6C)=O)CC(O)C7)C(C)(C)C)=O)=O)F)C;C[CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)N[CH](C)c6ccc(cc6)c7scnc7C)C(C)(C)C;Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CC(N(C(C7)C)C)C)F)O","InChI=1S/C52H59F4N9O7S/c1-27-23-64(24-28(2)63(27)8)41-16-14-33(18-40(41)61-48(70)37-21-57-43(67)20-38(37)52(54,55)56)36-17-34(13-15-39(36)53)47(69)58-22-44(68)62-46(51(5,6)7)50(72)65-25-35(66)19-42(65)49(71)60-29(3)31-9-11-32(12-10-31)45-30(4)59-26-73-45/h9-18,20-21,26-29,35,42,46,66H,19,22-25H2,1-8H3,(H,57,67)(H,58,69)(H,60,71)(H,61,70)(H,62,68)/t27-,28+,29-,35+,42-,46+/m0/s1","Protac MS67","2020-08-20","2021-10-01","N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide","2021-10-06"],["X6N","[(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate","C7 H15 O9 P","CO[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O;COC1C(C(C(OC1O)CO)OP(=O)(O)O)O","InChI=1S/C7H15O9P/c1-14-6-4(9)5(16-17(11,12)13)3(2-8)15-7(6)10/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4+,5-,6+,7?/m1/s1","","2023-10-24","2024-10-04","[(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate","2024-10-09"],["X6O","(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C28 H42 F3 N5 O6","CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)C(=O)N4CCC4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCCNC3=O)C(C(=O)N4CCC4)O)C","InChI=1S/C28H42F3N5O6/c1-26(2,3)20(34-25(42)28(29,30)31)24(41)36-13-15-17(27(15,4)5)18(36)22(39)33-16(12-14-8-6-9-32-21(14)38)19(37)23(40)35-10-7-11-35/h14-20,37H,6-13H2,1-5H3,(H,32,38)(H,33,39)(H,34,42)/t14-,15-,16-,17-,18-,19+,20+/m0/s1","","2022-11-02","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-11"],["X6P","3-(1-methylpyrrol-2-yl)benzoic acid","C12 H11 N O2","Cn1cccc1c2cccc(c2)C(O)=O;Cn1cccc1c2cccc(c2)C(=O)O","InChI=1S/C12H11NO2/c1-13-7-3-6-11(13)9-4-2-5-10(8-9)12(14)15/h2-8H,1H3,(H,14,15)","","2017-07-27","2018-01-05","3-(1-methylpyrrol-2-yl)benzoic acid","2018-01-10"],["X6Q","(1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid","C24 H21 N O7","O=C(O)c1cc(cc(OCC(=O)NC)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O;CNC(=O)COc1cc(cc(c1)c2ccc(C(O)=O)c(OCc3ccccc3)c2)C(O)=O;CNC(=O)COc1cc(cc(c1)C(=O)O)c2ccc(c(c2)OCc3ccccc3)C(=O)O","InChI=1S/C24H21NO7/c1-25-22(26)14-31-19-10-17(9-18(11-19)23(27)28)16-7-8-20(24(29)30)21(12-16)32-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,26)(H,27,28)(H,29,30)","","2023-06-02","2023-12-29","(1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid","2024-01-03"],["X6R","6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine","C16 H11 F N4","Nc1c2cc(ncc2ccc1F)n1ccc2ccncc21;Nc1c(F)ccc2cnc(cc12)n3ccc4ccncc34;c1cc(c(c2c1cnc(c2)n3ccc4c3cncc4)N)F","InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2","","2023-10-24","2024-08-30","6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine","2024-09-04"],["X6S","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C35 H41 N3 O3 S","C(C(=O)NCCCc1cnccc1)(Cc2ccccc2)SCC(Cc4c3c(cccc3)ccc4)NC(OC(C)(C)C)=O;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCCc4cccnc4","InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m0/s1","","2020-12-01","2021-01-15","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2021-01-20"],["X6T","(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C30 H46 F3 N5 O6","CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(C)(C)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)C(=O)N4CC(C)(C)C4)C2(C)C;CC1(CN(C1)C(=O)C(C(CC2CCCNC2=O)NC(=O)C3C4C(C4(C)C)CN3C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)O)C","InChI=1S/C30H46F3N5O6/c1-27(2,3)21(36-26(44)30(31,32)33)25(43)38-12-16-18(29(16,6)7)19(38)23(41)35-17(11-15-9-8-10-34-22(15)40)20(39)24(42)37-13-28(4,5)14-37/h15-21,39H,8-14H2,1-7H3,(H,34,40)(H,35,41)(H,36,44)/t15-,16-,17-,18-,19-,20+,21+/m0/s1","","2022-11-02","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-11"],["X6U","3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C21 H20 N2 O4 S","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(=O)=O)c(c3)C#N;CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)C#N)CS(=O)(=O)C)C(=O)O","InChI=1S/C21H20N2O4S/c1-12(2)16-5-4-6-17-18(20(21(24)25)23-19(16)17)13-7-8-14(11-28(3,26)27)15(9-13)10-22/h4-9,12,23H,11H2,1-3H3,(H,24,25)","","2023-06-05","2024-06-21","3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["X6V","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C33 H40 N4 O3 S","C(SCC(Cc2c1c(cccc1)nc2)NC(OC(C)(C)C)=O)(C(=O)NCCCc3cnccc3)Cc4ccccc4;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3c[nH]c4ccccc34;CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCCc4cccnc4","InChI=1S/C33H40N4O3S/c1-33(2,3)40-32(39)37-27(20-26-22-36-29-16-8-7-15-28(26)29)23-41-30(19-24-11-5-4-6-12-24)31(38)35-18-10-14-25-13-9-17-34-21-25/h4-9,11-13,15-17,21-22,27,30,36H,10,14,18-20,23H2,1-3H3,(H,35,38)(H,37,39)/t27-,30+/m0/s1","","2020-12-01","2021-01-15","tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2021-01-20"],["X6W","methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine","C12 H15 N3","n2c(c1ccccc1)cc(n2C)CNC;CNCc1cc(nn1C)c2ccccc2;CNCc1cc(nn1C)c2ccccc2","InChI=1S/C12H15N3/c1-13-9-11-8-12(14-15(11)2)10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3","","2014-12-04","2015-05-08","N-methyl-1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)methanamine","2015-05-13"],["X6X","2-amino-2-deoxy-alpha-D-galactopyranose","C6 H13 N O5","OC1C(OC(C(C1O)N)O)CO;N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O;C(C1C(C(C(C(O1)O)N)O)O)O","InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1","alpha-D-galactosamine; 2-amino-2-deoxy-alpha-D-galactose; 2-amino-2-deoxy-D-galactose; 2-amino-2-deoxy-galactose","2015-06-03","2020-07-17","2-amino-2-deoxy-alpha-D-galactopyranose","2015-06-10"],["X6Y","2-O-sulfo-alpha-L-fucopyranose","C6 H12 O8 S","C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O;C[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O;CC1C(C(C(C(O1)O)OS(=O)(=O)O)O)O","InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1","6-deoxy-2-O-sulfo-alpha-L-galactopyranose","2020-12-01","2020-12-11","6-deoxy-2-O-sulfo-alpha-L-galactopyranose","2020-12-16"],["X6Z","[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate","C7 H15 O9 P","CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;COC1C(C(C(OC1O)COP(=O)(O)O)O)O","InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1","","2023-10-24","2024-10-11","[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate","2024-10-16"],["X70","(1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C28 H40 F5 N5 O6","CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(F)(F)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)C(=O)N4CC(F)(F)C4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCCNC3=O)C(C(=O)N4CC(C4)(F)F)O)C","InChI=1S/C28H40F5N5O6/c1-25(2,3)19(36-24(44)28(31,32)33)23(43)38-10-14-16(26(14,4)5)17(38)21(41)35-15(9-13-7-6-8-34-20(13)40)18(39)22(42)37-11-27(29,30)12-37/h13-19,39H,6-12H2,1-5H3,(H,34,40)(H,35,41)(H,36,44)/t13-,14-,15-,16-,17-,18+,19+/m0/s1","","2022-11-02","2024-09-27","(1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-11"],["X71","tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C32 H41 N3 O3 S","C(c1ccccc1)C(C(=O)NCCCc2cnccc2)CSCC(NC(OC(C)(C)C)=O)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](CSC[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCC(Cc2ccccc2)C(=O)NCCCc3cccnc3","InChI=1S/C32H41N3O3S/c1-32(2,3)38-31(37)35-29(21-26-14-8-5-9-15-26)24-39-23-28(20-25-12-6-4-7-13-25)30(36)34-19-11-17-27-16-10-18-33-22-27/h4-10,12-16,18,22,28-29H,11,17,19-21,23-24H2,1-3H3,(H,34,36)(H,35,37)/t28-,29-/m0/s1","","2020-12-01","2021-01-15","tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2021-01-20"],["X72","4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide","C12 H10 Cl N5 O3","[O-][N+](=O)c2c(Cl)cc(NCc1cncnc1)c(C(=O)N)c2;NC(=O)c1cc(c(Cl)cc1NCc2cncnc2)[N+]([O-])=O;c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N","InChI=1S/C12H10ClN5O3/c13-9-2-10(17-5-7-3-15-6-16-4-7)8(12(14)19)1-11(9)18(20)21/h1-4,6,17H,5H2,(H2,14,19)","","2011-03-11","2012-08-03","4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide",""],["X73","2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide","C13 H11 Cl N4 O3","Clc1ncc(cc1)CNc2ccc([N+]([O-])=O)cc2C(=O)N;NC(=O)c1cc(ccc1NCc2ccc(Cl)nc2)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl","InChI=1S/C13H11ClN4O3/c14-12-4-1-8(7-17-12)6-16-11-3-2-9(18(20)21)5-10(11)13(15)19/h1-5,7,16H,6H2,(H2,15,19)","","2011-03-14","2012-08-03","2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide",""],["X74","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C35 H41 N3 O3 S","CC(OC(NC(CSC(C(NCCCc1cnccc1)=O)Cc2ccccc2)Cc3cccc4c3cccc4)=O)(C)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCCc4cccnc4","InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m1/s1","","2020-12-01","2021-01-15","tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2021-01-20"],["X75","4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide","C13 H10 Cl2 N4 O3","Clc1ncc(cc1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N;NC(=O)c1cc(c(Cl)cc1NCc2ccc(Cl)nc2)[N+]([O-])=O;c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl","InChI=1S/C13H10Cl2N4O3/c14-9-4-10(8(13(16)20)3-11(9)19(21)22)17-5-7-1-2-12(15)18-6-7/h1-4,6,17H,5H2,(H2,16,20)","","2011-03-14","2012-08-03","4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide",""],["X76","2-[(pyridin-3-ylmethyl)amino]benzamide","C13 H13 N3 O","O=C(N)c2c(NCc1cccnc1)cccc2;NC(=O)c1ccccc1NCc2cccnc2;c1ccc(c(c1)C(=O)N)NCc2cccnc2","InChI=1S/C13H13N3O/c14-13(17)11-5-1-2-6-12(11)16-9-10-4-3-7-15-8-10/h1-8,16H,9H2,(H2,14,17)","","2011-03-14","2012-08-03","2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X77","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide","C27 H33 N5 O2","C(=O)(N(C(c1cccnc1)C(NC2CCCCC2)=O)c3ccc(C(C)(C)C)cc3)c4cncn4;CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)c4c[nH]cn4;CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4","InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1","","2020-03-17","2020-03-20","N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide","2020-03-25"],["X78","3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C21 H19 N3 O3 S","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3cccc4nc(NC(C)=O)sc34;CC(C)c1cccc2c1[nH]c(c2c3cccc4c3sc(n4)NC(=O)C)C(=O)O","InChI=1S/C21H19N3O3S/c1-10(2)12-6-4-7-13-16(18(20(26)27)24-17(12)13)14-8-5-9-15-19(14)28-21(23-15)22-11(3)25/h4-10,24H,1-3H3,(H,26,27)(H,22,23,25)","","2023-06-05","2024-06-21","3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["X79","(Prop-2-ynylthio)acetic acid","C5 H6 O2 S","O=C(O)CSCC#C;OC(=O)CSCC#C;C#CCSCC(=O)O","InChI=1S/C5H6O2S/c1-2-3-8-4-5(6)7/h1H,3-4H2,(H,6,7)","","2023-10-24","2024-10-25","[(prop-2-yn-1-yl)sulfanyl]acetic acid","2024-10-30"],["X7A","[(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)","C13 H28 B N2 O5","O=C(O)C(N)(CCN1CCCCC1)CCCC[B-](O)(O)O;N[C](CCCC[B-](O)(O)O)(CCN1CCCCC1)C(O)=O;[B-](CCCCC(CCN1CCCCC1)(C(=O)O)N)(O)(O)O","InChI=1S/C13H28BN2O5/c15-13(12(17)18,6-2-3-8-14(19,20)21)7-11-16-9-4-1-5-10-16/h19-21H,1-11,15H2,(H,17,18)/q-1/t13-/m1/s1","","2012-11-16","2013-03-15","[(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)","2013-03-20"],["X7B","[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-4-[[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate","C28 H36 B N2 O11 S","CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc5c(c4)C(=O)O[B-]5(O)O;[B-]1(c2ccc(cc2C(=O)O1)S(=O)(=O)N(CC(C)C)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O)(O)O","InChI=1S/C28H36BN2O11S/c1-17(2)14-31(43(37,38)19-8-9-22-21(13-19)26(33)42-29(22,35)36)15-24(32)23(12-18-6-4-3-5-7-18)30-28(34)41-25-16-40-27-20(25)10-11-39-27/h3-9,13,17,20,23-25,27,32,35-36H,10-12,14-16H2,1-2H3,(H,30,34)/q-1/t20-,23-,24+,25-,27+/m0/s1","","2022-11-03","2023-02-03","[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-4-[[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate","2023-02-08"],["X7C","5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine","C12 H5 Cl F2 N2 S","Fc1cccc(F)c1c2nc3ncsc3cc2Cl;c1cc(c(c(c1)F)c2c(cc3c(n2)ncs3)Cl)F","InChI=1S/C12H5ClF2N2S/c13-6-4-9-12(16-5-18-9)17-11(6)10-7(14)2-1-3-8(10)15/h1-5H","","2023-06-05","2023-09-15","5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine","2023-09-20"],["X7D","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","C35 H41 N3 O3 S","CC(C)(OC(NC(Cc1cccc2c1cccc2)CSC(C(=O)NCCCc3cnccc3)Cc4ccccc4)=O)C;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3cccc4ccccc34;CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCCc4cccnc4","InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m0/s1","","2020-12-01","2021-01-15","tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate","2021-01-20"],["X7E","(4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE","C19 H18 F2 N2 O2 S","S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(O)c3ccc(F)c(F)c3;CN1C(=C([CH](O)c2ccc(F)c(F)c2)[CH](NC1=S)c3cccc(O)c3)C;CC1=C(C(NC(=S)N1C)c2cccc(c2)O)C(c3ccc(c(c3)F)F)O","InChI=1S/C19H18F2N2O2S/c1-10-16(18(25)12-6-7-14(20)15(21)9-12)17(22-19(26)23(10)2)11-4-3-5-13(24)8-11/h3-9,17-18,24-25H,1-2H3,(H,22,26)/t17-,18+/m1/s1","(R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)","2010-02-26","2020-06-17","(4R)-5-[(S)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1H)-thione",""],["X7F","5,8-bis(oxidanyl)naphthalene-1,4-dione","C10 H6 O4","Oc1ccc(O)c2C(=O)C=CC(=O)c12;c1cc(c2c(c1O)C(=O)C=CC2=O)O","InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H","","2023-10-24","2024-10-18","5,8-bis(oxidanyl)naphthalene-1,4-dione","2024-10-23"],["X7G","1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol","C20 H22 N8 O","n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc5cc4cnn(c4cc5)C;Cn1ncc2cc(Nc3nccc(n3)n4cc(CN5CC(O)C5)c(C)n4)ccc12;Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O","InChI=1S/C20H22N8O/c1-13-15(9-27-11-17(29)12-27)10-28(25-13)19-5-6-21-20(24-19)23-16-3-4-18-14(7-16)8-22-26(18)2/h3-8,10,17,29H,9,11-12H2,1-2H3,(H,21,23,24)","","2015-01-13","2015-12-24","1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol","2015-12-29"],["X7H","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","C29 H38 Cl N3 O8 S","ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12;CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(NC(=O)CCl)cc4;CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)NC(=O)CCl","InChI=1S/C29H38ClN3O8S/c1-19(2)16-33(42(37,38)22-10-8-21(9-11-22)31-27(35)15-30)17-25(34)24(14-20-6-4-3-5-7-20)32-29(36)41-26-18-40-28-23(26)12-13-39-28/h3-11,19,23-26,28,34H,12-18H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,25+,26-,28+/m0/s1","","2022-11-03","2023-02-10","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate","2023-02-15"],["X7I","[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate","C23 H23 N7 O5","O[CH]1[CH](O)[CH](O[CH]1COC(=O)NCCc2c[nH]c3ccccc23)n4cnc5c6nccn6cnc45;c1ccc2c(c1)c(c[nH]2)CCNC(=O)OCC3C(C(C(O3)n4cnc5c4ncn6c5ncc6)O)O","InChI=1S/C23H23N7O5/c31-18-16(10-34-23(33)25-6-5-13-9-26-15-4-2-1-3-14(13)15)35-22(19(18)32)30-12-27-17-20-24-7-8-29(20)11-28-21(17)30/h1-4,7-9,11-12,16,18-19,22,26,31-32H,5-6,10H2,(H,25,33)/t16-,18-,19-,22-/m1/s1","","2023-06-05","2023-06-09","[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate","2023-06-14"],["X7J","tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C31 H39 N3 O3 S","C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(NCCCc2cnccc2)=O)Cc3ccccc3;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3","InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m1/s1","","2020-12-01","2021-01-15","tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2021-01-20"],["X7K","2-(Cyanomethylthio)acetic acid","C4 H5 N O2 S","O=C(O)CSCC#N;OC(=O)CSCC#N;C(C#N)SCC(=O)O","InChI=1S/C4H5NO2S/c5-1-2-8-3-4(6)7/h2-3H2,(H,6,7)","","2023-10-24","2024-10-25","[(cyanomethyl)sulfanyl]acetic acid","2024-10-30"],["X7L","N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide","C27 H35 F N4 O3 S2","CN(C)C1CCCCC1Nc1ccc(c(F)c1)S(=O)(=O)Nc1nc2ccc(cc2s1)OCC1CCCC1;CN(C)[CH]1CCCC[CH]1Nc2ccc(c(F)c2)[S](=O)(=O)Nc3sc4cc(OCC5CCCC5)ccc4n3;CN(C)C1CCCCC1Nc2ccc(c(c2)F)S(=O)(=O)Nc3nc4ccc(cc4s3)OCC5CCCC5","InChI=1S/C27H35FN4O3S2/c1-32(2)24-10-6-5-9-22(24)29-19-11-14-26(21(28)15-19)37(33,34)31-27-30-23-13-12-20(16-25(23)36-27)35-17-18-7-3-4-8-18/h11-16,18,22,24,29H,3-10,17H2,1-2H3,(H,30,31)/t22-,24-/m0/s1","","2022-11-04","2023-04-07","N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide","2023-04-12"],["X7M","tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C31 H39 N3 O3 S","C(C(C(=O)NCCCc1cnccc1)SCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c3ccccc3;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3","InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m0/s1","","2020-12-01","2021-01-15","tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2021-01-20"],["X7N","2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide","C26 H28 F3 N3 O2","FC(F)(F)c1cc(ccc1)NC(=O)c1cc(c2ccccc2)n(CCCN2CCOCC2)c1C;Cc1n(CCCN2CCOCC2)c(cc1C(=O)Nc3cccc(c3)C(F)(F)F)c4ccccc4;Cc1c(cc(n1CCCN2CCOCC2)c3ccccc3)C(=O)Nc4cccc(c4)C(F)(F)F","InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)","","2023-06-05","2023-06-30","2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide","2023-07-05"],["X7O","5-AMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID","C6 H12 N2 O2","O=C(O)C1NC(N)CC1C;C[CH]1C[CH](N)N[CH]1C(O)=O;CC1CC(NC1C(=O)O)N","InChI=1S/C6H12N2O2/c1-3-2-4(7)8-5(3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1","","2002-03-05","2011-06-04","(3R,5R)-5-amino-3-methyl-D-proline",""],["X7P","tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","C31 H39 N3 O3 S","C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O;CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCCc2cccnc2)Cc3ccccc3;CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2)C(=O)NCCCc3cccnc3","InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m1/s1","","2020-12-01","2021-01-15","tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate","2021-01-20"],["X7Q","(Allylthio)acetic acid","C5 H8 O2 S","O=C(O)CSCC=C;OC(=O)CSCC=C;C=CCSCC(=O)O","InChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)","","2023-10-24","2024-10-25","[(prop-2-en-1-yl)sulfanyl]acetic acid","2024-10-30"],["X7R","5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide","C25 H29 Cl2 F N2 O4 S","CC(c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1;C[CH](N1CCC(CC1)COc2cc(F)c(cc2C3CC3)C(=O)N[S](C)(=O)=O)c4cc(Cl)cc(Cl)c4;CC(c1cc(cc(c1)Cl)Cl)N2CCC(CC2)COc3cc(c(cc3C4CC4)C(=O)NS(=O)(=O)C)F","InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1","","2022-11-04","2023-04-07","5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide","2023-04-12"],["X7T","1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one","C24 H29 F2 N5 O3","Fc1ccc(OC2CCN(CC2)c2nc3CCN(Cc3nc2NC2CCOC2)C(C)=O)c(F)c1;CC(=O)N1CCc2nc(N3CCC(CC3)Oc4ccc(F)cc4F)c(N[CH]5CCOC5)nc2C1;CC(=O)N1CCc2c(nc(c(n2)N3CCC(CC3)Oc4ccc(cc4F)F)NC5CCOC5)C1","InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1","","2023-06-05","2024-11-29","1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one","2024-12-04"],["X7V","N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide","C32 H27 N3 O3","c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5;C[CH](NC(=O)[CH](N(C(=O)c1occc1)c2ccc(cc2)c3ccccc3)c4cccnc4)c5ccccc5;CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5","InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1","","2020-12-03","2020-12-11","N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide","2020-12-16"],["X7W","5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide","C25 H26 Cl F4 N5 O2 S","O=S(=O)(Nc1ccncn1)c1cc(Cl)c(NC2CCC(CC2N(C)C)c2cccc(c2)C(F)(F)F)cc1F;CN(C)[CH]1C[CH](CC[CH]1Nc2cc(F)c(cc2Cl)[S](=O)(=O)Nc3ccncn3)c4cccc(c4)C(F)(F)F;CN(C)C1CC(CCC1Nc2cc(c(cc2Cl)S(=O)(=O)Nc3ccncn3)F)c4cccc(c4)C(F)(F)F","InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20,22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,20-,22-/m0/s1","","2022-11-04","2023-04-07","5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide","2023-04-12"],["X7X","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone","C28 H32 N6 O4","O=C(c1ccc2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;O=C(N1C[CH]2CN(C[CH]2C1)C(=O)c3cc(OCC4CCOCC4)nc(c3)C5CC5)c6ccc7[nH]nnc7c6;c1cc2c(cc1C(=O)N3CC4CN(CC4C3)C(=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7)nn[nH]2","InChI=1S/C28H32N6O4/c35-27(19-3-4-23-25(9-19)31-32-30-23)33-12-21-14-34(15-22(21)13-33)28(36)20-10-24(18-1-2-18)29-26(11-20)38-16-17-5-7-37-8-6-17/h3-4,9-11,17-18,21-22H,1-2,5-8,12-16H2,(H,30,31,32)","","2023-06-05","2024-12-13","[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone","2024-12-18"],["X7Y","2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C25 H29 N7 O2","n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4C)=O)cccc5;COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C","InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)","","2020-12-03","2021-09-17","2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2021-09-22"],["X80","5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide","C27 H34 Cl F2 N3 O4 S","CN(C)C1CCCCC1Nc1ccc(c(F)c1)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F;CN(C)[CH]1CCCC[CH]1Nc2ccc(c(F)c2)[S](=O)(=O)NC(=O)c3cc(Cl)c(OCC4CCCC4)cc3F;CN(C)C1CCCCC1Nc2ccc(c(c2)F)S(=O)(=O)NC(=O)c3cc(c(cc3F)OCC4CCCC4)Cl","InChI=1S/C27H34ClF2N3O4S/c1-33(2)24-10-6-5-9-23(24)31-18-11-12-26(22(30)13-18)38(35,36)32-27(34)19-14-20(28)25(15-21(19)29)37-16-17-7-3-4-8-17/h11-15,17,23-24,31H,3-10,16H2,1-2H3,(H,32,34)/t23-,24-/m0/s1","","2022-11-04","2023-04-07","5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide","2023-04-12"],["X81","1-STEAROYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHATE","C39 H74 O8 P","O=P([O-])(O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCC=CCCCCCCCC;CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC","InChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37H,3-17,19,21-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1","","2004-08-02","2011-06-04","(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate",""],["X82","(2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","C25 H28 F3 N5 O3","FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)C1CCc2[NH]nnc2C1;FC(F)(F)Oc1ccc(C=CC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)[CH]4CCc5[nH]nnc5C4)cc1;c1cc(ccc1C=CC(=O)N2CCC3CN(CC3CC2)C(=O)C4CCc5c(nn[nH]5)C4)OC(F)(F)F","InChI=1S/C25H28F3N5O3/c26-25(27,28)36-20-5-1-16(2-6-20)3-8-23(34)32-11-9-18-14-33(15-19(18)10-12-32)24(35)17-4-7-21-22(13-17)30-31-29-21/h1-3,5-6,8,17-19H,4,7,9-15H2,(H,29,30,31)","","2023-06-05","2024-12-13","(2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","2024-12-18"],["X83","methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","C24 H41 F N4 O6","CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C;CNC(=O)[CH](O)[CH](CC[CH](C)F)NC(=O)[CH]1[CH]2CCC[CH]2CN1C(=O)[CH](NC(=O)OC)C(C)(C)C;CC(CCC(C(C(=O)NC)O)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)OC)F","InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14+,15+,16+,17+,18-,19-/m1/s1","","2023-10-24","2024-09-27","methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)","2024-03-06"],["X84","4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C16 H19 N5 O4","[O-][N+](=O)c2c(NCCCO)cc(NCc1cccnc1)c(C(=O)N)c2;NC(=O)c1cc(c(NCCCO)cc1NCc2cccnc2)[N+]([O-])=O;c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO","InChI=1S/C16H19N5O4/c17-16(23)12-7-15(21(24)25)14(19-5-2-6-22)8-13(12)20-10-11-3-1-4-18-9-11/h1,3-4,7-9,19-20,22H,2,5-6,10H2,(H2,17,23)","","2011-03-23","2012-08-03","4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X85","4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C20 H26 N6 O4","[O-][N+](=O)c2cc(C(=O)N)c(NCc1cccnc1)cc2NCCCN3CCOCC3;NC(=O)c1cc(c(NCCCN2CCOCC2)cc1NCc3cccnc3)[N+]([O-])=O;c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3","InChI=1S/C20H26N6O4/c21-20(27)16-11-19(26(28)29)18(23-5-2-6-25-7-9-30-10-8-25)12-17(16)24-14-15-3-1-4-22-13-15/h1,3-4,11-13,23-24H,2,5-10,14H2,(H2,21,27)","","2011-03-29","2012-08-03","4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X86","4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C17 H21 N5 O4","[O-][N+](=O)c2c(NCCCOC)cc(NCc1cccnc1)c(C(=O)N)c2;COCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O;COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2","InChI=1S/C17H21N5O4/c1-26-7-3-6-20-15-9-14(21-11-12-4-2-5-19-10-12)13(17(18)23)8-16(15)22(24)25/h2,4-5,8-10,20-21H,3,6-7,11H2,1H3,(H2,18,23)","","2011-03-23","2012-08-03","4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X87","4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide","C16 H20 N6 O3","[O-][N+](=O)c2c(NCCCN)cc(NCc1cccnc1)c(C(=O)N)c2;NCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O;c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN","InChI=1S/C16H20N6O3/c17-4-2-6-20-14-8-13(21-10-11-3-1-5-19-9-11)12(16(18)23)7-15(14)22(24)25/h1,3,5,7-9,20-21H,2,4,6,10,17H2,(H2,18,23)","","2011-03-23","2012-08-03","4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide",""],["X88","5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide","C12 H11 N5 O3","[O-][N+](=O)c2ccc(NCc1nccnc1)c(C(=O)N)c2;NC(=O)c1cc(ccc1NCc2cnccn2)[N+]([O-])=O;c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2","InChI=1S/C12H11N5O3/c13-12(18)10-5-9(17(19)20)1-2-11(10)16-7-8-6-14-3-4-15-8/h1-6,16H,7H2,(H2,13,18)","","2011-03-23","2012-08-03","5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide",""],["X89","1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","C18 H14 Cl4 N2 O","Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2Cl)Cn3ccnc3;Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1;c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl","InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1","","2010-09-29","2011-06-04","1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole",""],["X8A","[(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)","C14 H30 B N2 O5","O=C(O)C(NC)(CCN1CCCCC1)CCCC[B-](O)(O)O;CN[C](CCCC[B-](O)(O)O)(CCN1CCCCC1)C(O)=O;[B-](CCCCC(CCN1CCCCC1)(C(=O)O)NC)(O)(O)O","InChI=1S/C14H30BN2O5/c1-16-14(13(18)19,7-3-4-9-15(20,21)22)8-12-17-10-5-2-6-11-17/h16,20-22H,2-12H2,1H3,(H,18,19)/q-1/t14-/m1/s1","","2012-11-16","2013-03-15","[(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)","2013-03-20"],["X8B","(3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid","C14 H15 N2 O7 P","Oc1c(C=C2/CC(=CC2=N)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C=C2CC(=CC2=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)C=C2CC(=CC2=N)C(=O)O)O","InChI=1S/C14H15N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h3-5,15,17H,2,6H2,1H3,(H,18,19)(H2,20,21,22)/b8-3+,15-12+","3-Amino-4-fluorocyclopentenecarboxylic Acid","2022-11-06","2023-02-17","(3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid","2023-02-22"],["X8C","1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]-N-piperidin-4-yl-pyrazole-3-carboxamide","C23 H19 Cl4 N5 O3","Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(Cl)cccc4Cl;c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(cccc4Cl)Cl)Cl","InChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-32(23(35)19-15(26)5-2-6-16(19)27)31-20(17)22(34)29-12-7-9-28-10-8-12/h1-6,11-12,28H,7-10H2,(H,29,34)(H,30,33)","4-(2,6-dichlorobenzamido)-1-(2,6-dichlorobenzoyl)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide","2023-07-25","2025-01-31","1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-pyrazole-3-carboxamide","2025-02-05"],["X8D","5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE","C11 H9 N3 O","O=C1N2c3c(C(=CC2=NN1)C)cccc3;CC1=CC2=NNC(=O)N2c3ccccc13;CC1=CC2=NNC(=O)N2c3c1cccc3","InChI=1S/C11H9N3O/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15)","","2010-03-08","2011-06-04","5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one",""],["X8E","5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE","C16 H12 N4 O","O=C1N2c4c(C(=CC2=NN1)C)ccc(c3ccncc3)c4;CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccncc4;CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4","InChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21)","","2010-03-09","2011-06-04","5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one",""],["X8F","methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate","C24 H41 F N4 O6","CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C;CNC(=O)[CH](O)[CH](CC[CH](C)F)NC(=O)[CH]1[CH]2CCC[CH]2CN1C(=O)[CH](NC(=O)OC)C(C)(C)C;CC(CCC(C(C(=O)NC)O)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)OC)F","InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14-,15-,16-,17-,18+,19+/m0/s1","","2023-10-24","2024-09-27","methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)","2024-03-06"],["X8G","1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol","C20 H21 Cl N8 O","Clc5nn(c1c5cc(cc1)Nc2nccc(n2)n3nc(c(c3)CN4CC(O)C4)C)C;Cn1nc(Cl)c2cc(Nc3nccc(n3)n4cc(CN5CC(O)C5)c(C)n4)ccc12;Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O","InChI=1S/C20H21ClN8O/c1-12-13(8-28-10-15(30)11-28)9-29(25-12)18-5-6-22-20(24-18)23-14-3-4-17-16(7-14)19(21)26-27(17)2/h3-7,9,15,30H,8,10-11H2,1-2H3,(H,22,23,24)","","2015-01-14","2015-12-24","1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol","2015-12-29"],["X8H","(1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid","C14 H19 N2 O7 P","Oc1c(CC2CC(CC2=N)C(=O)O)c(cnc1C)COP(=O)(O)O;Cc1ncc(CO[P](O)(O)=O)c(C[CH]2C[CH](CC2=N)C(O)=O)c1O;Cc1c(c(c(cn1)COP(=O)(O)O)CC2CC(CC2=N)C(=O)O)O","InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12-/t8-,9+/m0/s1","","2022-11-06","2024-09-27","(1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid","2023-02-22"],["X8I","7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one","C17 H13 N3 O2","O=C1N2c4c(C(=CC2=NN1)C)cc(c3cccc(O)c3)cc4;CC1=CC2=NNC(=O)N2c3ccc(cc13)c4cccc(O)c4;CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O","InChI=1S/C17H13N3O2/c1-10-7-16-18-19-17(22)20(16)15-6-5-12(9-14(10)15)11-3-2-4-13(21)8-11/h2-9,21H,1H3,(H,19,22)","","2010-03-09","2011-06-04","7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one",""],["X8J","5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C26 H31 N7 O2","n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4CC)=O)cccc5;CCN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4OC)N5CCN(C)CC5)ncc13;CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C","InChI=1S/C26H31N7O2/c1-5-33-22-17-27-26(29-24(22)31(3)21-9-7-6-8-19(21)25(33)34)28-20-11-10-18(16-23(20)35-4)32-14-12-30(2)13-15-32/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,28,29)","","2020-12-03","2021-09-17","5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2021-09-22"],["X8K","4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile","C25 H20 N4 O2","O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N;c1cc(ccc1C#N)c2cnc3n2cc(cc3)c4ccc(cc4)C(=O)N5CCOCC5","InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2","","2023-06-06","2024-06-07","4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile","2024-06-12"],["X8L","L-gulono-1,4-lactone","C6 H10 O6","OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O;C(C(C1C(C(C(=O)O1)O)O)O)O","InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1","(3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one; L-gulonolactone","2023-10-25","2024-04-26","(3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one","2024-05-01"],["X8M","IPRATROPIUM","C20 H30 N O3","O=C(OC2CC1[N+](C)(C(CC1)C2)C(C)C)C(c3ccccc3)CO;CC(C)[N+]1(C)[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3;CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3)C","InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19-,21-/m0/s1","(3-ENDO,8-ANTI)-3-{[(2R)-3-HYDROXY-2-PHENYLPROPANOYL]OXY}-8-METHYL-8-(1-METHYLETHYL)-8-AZONIABICYCLO[3.2.1]OCTANE","2010-03-10","2021-03-13","(3-endo,8-anti)-3-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane",""],["X8N","(2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid","C19 H18 Cl N5 O4","O=C(Nc1nnn[NH]1)C(Cc1ccc(cc1)c1cccc(Cl)c1)OC(C)C(=O)O;C[CH](O[CH](Cc1ccc(cc1)c2cccc(Cl)c2)C(=O)Nc3[nH]nnn3)C(O)=O;CC(C(=O)O)OC(Cc1ccc(cc1)c2cccc(c2)Cl)C(=O)Nc3[nH]nnn3","InChI=1S/C19H18ClN5O4/c1-11(18(27)28)29-16(17(26)21-19-22-24-25-23-19)9-12-5-7-13(8-6-12)14-3-2-4-15(20)10-14/h2-8,10-11,16H,9H2,1H3,(H,27,28)(H2,21,22,23,24,25,26)/t11-,16-/m0/s1","","2022-11-07","2023-01-06","(2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid","2023-01-11"],["X8O","~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide","C20 H17 N5 O2","CN1C=C(c2ccc(nc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O;CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4ccccc4N","InChI=1S/C20H17N5O2/c1-25-11-14(13-8-9-22-18(13)20(25)27)12-6-7-17(23-10-12)19(26)24-16-5-3-2-4-15(16)21/h2-11,22H,21H2,1H3,(H,24,26)","","2023-06-06","2023-06-30","~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide","2023-07-05"],["X8P","(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium","C58 H62 N8 O3 Ru S","C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(Cc2ccccc2)C(NCCCc3cn(ccc3)[Ru]68%11(n4c(cccc4c5n6cccc5)c7ccccn78)n9c(cccc9C)c%10cccc(n%10%11)C)=O;[Ru].Cc1cccc(n1)c2cccc(C)n2.CC(C)(C)OC(=O)N[CH](CS[CH](Cc3ccccc3)C(=O)NCCCc4cccnc4)Cc5ccccc5.c6ccc(nc6)c7cccc(n7)c8ccccn8;CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)C(Cc1ccccc1)SCC(Cc1ccccc1)NC(=O)OC(C)(C)C","InChI=1S/C31H39N3O3S.C15H11N3.C12H12N2.Ru/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36);1-11H;3-8H,1-2H3;/t27-,28+;;;/m0.../s1","","2020-12-03","2021-05-28","(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)propyl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium","2021-06-02"],["X8Q","Psilocybin","C12 H17 N2 O4 P","CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12;CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O","InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)","[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate","2023-10-25","2024-11-11","[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate","2024-04-03"],["X8R","1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one","C10 H16 N2 O2","CC(=O)N1C2CC3CC1CC(C2)N3O;CC(=O)N1C2CC3CC1CC(C2)N3O;CC(=O)N1C2CC3CC1CC(C2)N3O","InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+","","2022-11-07","2024-09-27","1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one","2023-02-15"],["X8S","(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium","C50 H54 N8 O3 Ru S","C(CSCCC(NCc1cn(ccc1)[Ru]369(n4c(cccc4c2ccccn23)c5ccccn56)n7c(cccc7C)c8cccc(n89)C)=O)(Cc%10ccccc%10)NC(=O)OC(C)(C)C;[Ru].Cc1cccc(n1)c2cccc(C)n2.CC(C)(C)OC(=O)N[CH](CSCCC(=O)NCc3cccnc3)Cc4ccccc4.c5ccc(nc5)c6cccc(n6)c7ccccn7;CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSCC(Cc1ccccc1)NC(=O)OC(C)(C)C","InChI=1S/C23H31N3O3S.C15H11N3.C12H12N2.Ru/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h4-10,12,15,20H,11,13-14,16-17H2,1-3H3,(H,25,27)(H,26,28);1-11H;3-8H,1-2H3;/t20-;;;/m1.../s1","","2020-12-03","2021-05-28","(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium","2021-06-02"],["X8T","~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide","C21 H18 N4 O2","CN1C=C(c2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O;CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4ccccc4N","InChI=1S/C21H18N4O2/c1-25-12-16(15-10-11-23-19(15)21(25)27)13-6-8-14(9-7-13)20(26)24-18-5-3-2-4-17(18)22/h2-12,23H,22H2,1H3,(H,24,26)","","2023-06-06","2023-06-30","~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide","2023-07-05"],["X8U","2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid","C31 H28 N4 O2 S2","O=C(O)c1nc(sc1CCCCc2ccccc2)c3ccc6c(c3)/C(=N/Nc4nc5ccccc5s4)CCC6;OC(=O)c1nc(sc1CCCCc2ccccc2)c3ccc4CCCC(=NNc5sc6ccccc6n5)c4c3;c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)C(=NNc5nc6ccccc6s5)CCC4)C(=O)O","InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)/b34-24+","","2013-02-04","2014-09-05","2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid","2013-04-24"],["X8V","2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide","C20 H17 N5 S","[N@H]=C(c1ccc(cc1)c2sc(cc2)c3nc4c(c3)ccc(/C(N)=N)c4)N;NC(=N)c1ccc(cc1)c2sc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N;c1cc(ccc1c2ccc(s2)c3cc4ccc(cc4[nH]3)C(=N)N)C(=N)N","InChI=1S/C20H17N5S/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-9-13-5-6-14(20(23)24)10-15(13)25-16/h1-10,25H,(H3,21,22)(H3,23,24)","","2020-12-04","2021-12-03","2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide","2021-12-08"],["X8W","(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one","C15 H12 O5","O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2;Oc1ccc(cc1)C=CC(=O)c2c(O)cc(O)cc2O;c1cc(ccc1C=CC(=O)c2c(cc(cc2O)O)O)O","InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H","NARINGENIN CHALCONE","2014-04-24","2021-03-01","(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one","2015-04-08"],["X8X","L-galactono-1,4-lactone","C6 H10 O6","OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O;C(C(C1C(C(C(=O)O1)O)O)O)O","InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1","(3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one; gamma-L-galactonolactone","2023-10-25","2024-04-26","(3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one","2024-05-01"],["X8Y","(1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","C19 H30 N6 O7","N(C1CC(C(C(C1O)O)O)(CO)O)CCCCCCNc2c([N+](=O)[O-])cc(cc2)N=[N+]=[N-];OC[C]1(O)C[CH](NCCCCCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])[CH](O)[CH](O)[CH]1O;c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCNC2CC(C(C(C2O)O)O)(CO)O","InChI=1S/C19H30N6O7/c20-24-23-12-5-6-13(15(9-12)25(31)32)21-7-3-1-2-4-8-22-14-10-19(30,11-26)18(29)17(28)16(14)27/h5-6,9,14,16-18,21-22,26-30H,1-4,7-8,10-11H2/t14-,16-,17+,18-,19-/m0/s1","","2020-12-06","2021-11-26","(1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol","2021-12-01"],["X8Z","L-CAPTOPRIL","C9 H15 N O3 S","O=C(O)C1N(C(=O)C(C)CS)CCC1;C[CH](CS)C(=O)N1CCC[CH]1C(O)=O;CC(CS)C(=O)N1CCCC1C(=O)O","InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1","","2010-03-14","2011-06-04","1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline",""],["X90","heptadecanoic acid","C17 H34 O2","O=C(O)CCCCCCCCCCCCCCCC;CCCCCCCCCCCCCCCCC(O)=O;CCCCCCCCCCCCCCCCC(=O)O","InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)","","2010-09-29","2018-06-15","heptadecanoic acid","2018-06-20"],["X92","Ramiprilat","C21 H28 N2 O5","C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O;CC(C(=O)N1C2CCCC2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O","InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1","","2010-03-14","2025-03-05","(2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid",""],["X93","TRANDOLAPRILAT","C22 H30 N2 O5","O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCc3ccccc3;C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCCC[CH]3C[CH]2C(O)=O;CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O","InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1","","2010-03-14","2015-11-24","(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)",""],["X94","PERINDOPRILAT","C17 H28 N2 O5","O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC;CCC[CH](N[CH](C)C(=O)N1[CH]2CCCC[CH]2C[CH]1C(O)=O)C(O)=O;CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O","InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1","","2010-03-14","2011-11-03","(2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-carboxybutyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)",""],["X95","(S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL-L-TRYPTOPHAN","C27 H34 N4 O5","O=C(O)C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CCCCN)CCc3ccccc3;NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O;c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O","InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1","","2010-03-14","2011-11-03","N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-D-tryptophan",""],["X96","2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide","C15 H16 N4 O3","[O-][N+](=O)c2ccc(NCc1ccc(cc1)CN)c(c2)C(=O)N;NCc1ccc(CNc2ccc(cc2C(N)=O)[N+]([O-])=O)cc1;c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]","InChI=1S/C15H16N4O3/c16-8-10-1-3-11(4-2-10)9-18-14-6-5-12(19(21)22)7-13(14)15(17)20/h1-7,18H,8-9,16H2,(H2,17,20)","","2011-03-24","2012-08-03","2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide",""],["X97","3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione","C28 H32 N4 O4","O=C(N1CCCC1)C5N(C(=O)CCCN4C(=O)C(c2ccccc2)(c3ccccc3)NC4=O)CCC5;O=C(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)N4CCC[CH]4C(=O)N5CCCC5;c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCCC3C(=O)N4CCCC4)c5ccccc5","InChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1","","2008-10-16","2012-01-11","3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione",""],["X98","1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one","C26 H28 N4 O3","O=C(N1CCCC1)C5N(C(=O)CCN3c4ccccc4N=C(c2ccccc2)C3=O)CCC5;O=C(CCN1C(=O)C(=Nc2ccccc12)c3ccccc3)N4CCC[CH]4C(=O)N5CCCC5;c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCCC4C(=O)N5CCCC5","InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1","","2008-10-15","2012-01-11","1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one",""],["X99","2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione","C20 H21 F2 N3 O4","FC4(F)CC(C(=O)N1CCCC1)N(C(=O)CCN3C(=O)c2ccccc2C3=O)C4;FC1(F)C[CH](N(C1)C(=O)CCN2C(=O)c3ccccc3C2=O)C(=O)N4CCCC4;c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(CC3C(=O)N4CCCC4)(F)F","InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1","","2008-10-09","2020-08-12","2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione",""],["X9B","(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","C24 H27 Cl N4 O4","CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC;COc1c(Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4OCC(C)(C)OC;CC(C)(COc1cnccc1c2c(c3c([nH]2)CCNC3=O)Nc4cccc(c4OC)Cl)OC","InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30)","","2022-11-07","2023-11-03","(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","2023-11-08"],["X9C","~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide","C24 H19 N5 O2","CN1C=C(c2ccc3cc(ccc3n2)C(=O)Nc4ccccc4N)c5cc[nH]c5C1=O;CN1C=C(c2cc[nH]c2C1=O)c3ccc4cc(ccc4n3)C(=O)Nc5ccccc5N","InChI=1S/C24H19N5O2/c1-29-13-17(16-10-11-26-22(16)24(29)31)20-9-6-14-12-15(7-8-19(14)27-20)23(30)28-21-5-3-2-4-18(21)25/h2-13,26H,25H2,1H3,(H,28,30)","","2023-06-06","2023-06-30","~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide","2023-07-05"],["X9D","4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate","C19 H20 N3 O9 P","C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O;Cc1[nH+]cc(CO[P](O)(O)=O)c(C=[NH+][C-](C[C]2(O)C(=O)Nc3ccccc23)C(O)=O)c1[O-];Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=[NH+][C-](CC2(c3ccccc3NC2=O)O)C(=O)O)[O-]","InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1","","2020-12-07","2021-01-29","4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate","2021-02-03"],["X9E","(4R,5S)-3-((2R,3S,4S,E)-2,6-diethyl-9-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)-3-hydroxy-4-methylnon-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one","C29 H43 N O5","CCC(C(O)C(C)CC(CC)=CCC[C]1(CC)O[CH]1C)C(=O)N2C(C)C(OC2=O)c3ccccc3;CCC(C(C(C)CC(=CCCC1(C(O1)C)CC)CC)O)C(=O)N2C(C(OC2=O)c3ccccc3)C","InChI=1S/C29H43NO5/c1-7-22(14-13-17-29(9-3)21(6)35-29)18-19(4)25(31)24(8-2)27(32)30-20(5)26(34-28(30)33)23-15-11-10-12-16-23/h10-12,14-16,19-21,24-26,31H,7-9,13,17-18H2,1-6H3/b22-14-/t19?,20?,21-,24?,25?,26?,29-/m1/s1","","2023-10-25","2024-11-01","3-[(~{Z})-2,6-diethyl-9-[(2~{R},3~{R})-2-ethyl-3-methyl-oxiran-2-yl]-4-methyl-3-oxidanyl-non-6-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one","2024-11-06"],["X9F","N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE","C18 H16 N6 O2 S","O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cnn4)C;C[S](=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1;CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4","InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)","","2010-03-17","2011-06-04","N~4~-1H-indazol-4-yl-N~2~-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine",""],["X9G","1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol","C22 H24 Cl N7 O","Clc2c1cc(ccc1n(c2C)C)Nc3nccc(n3)n4nc(c(c4)CN5CC(O)C5)C;Cn1c(C)c(Cl)c2cc(Nc3nccc(n3)n4cc(CN5CC(O)C5)c(C)n4)ccc12;Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O","InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26)","","2015-01-14","2015-12-24","1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol","2015-12-29"],["X9H","N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide","C23 H20 N6 O","C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1;CC1=C[CH](Cn2c3ncnc(N)c3c(c4cnc5ccccc5c4)c12)NC(=O)C=C;CC1=CC(Cn2c1c(c3c2ncnc3N)c4cc5ccccc5nc4)NC(=O)C=C","InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1","","2022-11-07","2024-09-27","N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide","2023-11-08"],["X9I","4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid","C15 H13 N3 O5","O=C(O)c1ccc(cc1)CNc2ccc(cc2C(=O)N)[N+]([O-])=O;NC(=O)c1cc(ccc1NCc2ccc(cc2)C(O)=O)[N+]([O-])=O;c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O","InChI=1S/C15H13N3O5/c16-14(19)12-7-11(18(22)23)5-6-13(12)17-8-9-1-3-10(4-2-9)15(20)21/h1-7,17H,8H2,(H2,16,19)(H,20,21)","","2011-03-23","2012-08-03","4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid",""],["X9J","3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide","C24 H23 F N8 O2","c2cc(CNC(=O)c1nc(no1)C(C)(C)C)c(cc2c3ccnc5c3nc(c4cn(C)nc4)n5)F;Cn1cc(cn1)c2[nH]c3c(nccc3c4ccc(CNC(=O)c5onc(n5)C(C)(C)C)c(F)c4)n2;CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C","InChI=1S/C24H23FN8O2/c1-24(2,3)23-31-22(35-32-23)21(34)27-10-14-6-5-13(9-17(14)25)16-7-8-26-20-18(16)29-19(30-20)15-11-28-33(4)12-15/h5-9,11-12H,10H2,1-4H3,(H,27,34)(H,26,29,30)","","2020-12-07","2021-05-14","3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide","2021-05-19"],["X9K","~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide","C22 H19 N5 O2","Cc1cc(N=Nc2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4c1O;Cc1cc(c2cc[nH]c2c1O)N=Nc3ccc(cc3)C(=O)Nc4ccccc4N","InChI=1S/C22H19N5O2/c1-13-12-19(16-10-11-24-20(16)21(13)28)27-26-15-8-6-14(7-9-15)22(29)25-18-5-3-2-4-17(18)23/h2-12,24,28H,23H2,1H3,(H,25,29)/b27-26+","","2023-06-06","2023-06-30","~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide","2023-07-05"],["X9L","5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine","C19 H23 Br N6 O3 S","Brc1cccc(c1)CNCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCNCc4cccc(Br)c4)[CH](O)[CH]3O;c1cc(cc(c1)Br)CNCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O","InChI=1S/C19H23BrN6O3S/c20-12-3-1-2-11(6-12)7-22-4-5-30-8-13-15(27)16(28)19(29-13)26-10-25-14-17(21)23-9-24-18(14)26/h1-3,6,9-10,13,15-16,19,22,27-28H,4-5,7-8H2,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1","","2023-10-26","2025-03-28","5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine","2025-04-02"],["X9M","4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide","C35 H35 N5 O3","c1(ccnc4c1nc(c2ccc(cc2)C(N3CCOCC3)=O)n4)c5c(C)c(ccc5)NC(=O)c6ccc(C(C)(C)C)cc6;Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1c3ccnc4nc([nH]c34)c5ccc(cc5)C(=O)N6CCOCC6;Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6","InChI=1S/C35H35N5O3/c1-22-27(6-5-7-29(22)37-33(41)24-12-14-26(15-13-24)35(2,3)4)28-16-17-36-32-30(28)38-31(39-32)23-8-10-25(11-9-23)34(42)40-18-20-43-21-19-40/h5-17H,18-21H2,1-4H3,(H,37,41)(H,36,38,39)","","2020-12-07","2021-05-14","4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide","2021-05-19"],["X9N","1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one","C16 H23 F N2 O","CCN1CCN(CC1)c1ccc(cc1F)C(=O)CCC;CCCC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1;CCCC(=O)c1ccc(c(c1)F)N2CCN(CC2)CC","InChI=1S/C16H23FN2O/c1-3-5-16(20)13-6-7-15(14(17)12-13)19-10-8-18(4-2)9-11-19/h6-7,12H,3-5,8-11H2,1-2H3","","2022-11-07","2023-01-13","1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one","2023-01-18"],["X9O","~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide","C20 H21 N5 O2","Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O;Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N","InChI=1S/C20H21N5O2/c1-12-10-18(16(22)11-19(12)26)25-24-14-8-6-13(7-9-14)20(27)23-17-5-3-2-4-15(17)21/h2-11,24-26H,21-22H2,1H3,(H,23,27)","","2023-06-06","2023-06-30","~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide","2023-07-05"],["X9P","3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide","C30 H34 N8 O2","C(c1nc(no1)C(C)(C)C)(=O)NC2CCCc6c2ccc(c3ccnc4c3nc(n4)c5c(C)n(nc5)C(C)C)c6;CC(C)n1ncc(c1C)c2[nH]c3c(nccc3c4ccc5[CH](CCCc5c4)NC(=O)c6onc(n6)C(C)(C)C)n2;Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCCC5NC(=O)c6nc(no6)C(C)(C)C","InChI=1S/C30H34N8O2/c1-16(2)38-17(3)22(15-32-38)25-34-24-21(12-13-31-26(24)35-25)19-10-11-20-18(14-19)8-7-9-23(20)33-27(39)28-36-29(37-40-28)30(4,5)6/h10-16,23H,7-9H2,1-6H3,(H,33,39)(H,31,34,35)/t23-/m0/s1","","2020-12-07","2021-05-14","3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide","2021-05-19"],["X9Q","{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID","C14 H17 N3 O3","O=C1C(=NC(N1CC(=O)O)C(N)C)Cc2ccccc2;C[CH](N)[CH]1N=C(Cc2ccccc2)C(=O)N1CC(O)=O;CC(C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N","InChI=1S/C14H17N3O3/c1-9(15)13-16-11(7-10-5-3-2-4-6-10)14(20)17(13)8-12(18)19/h2-6,9,13H,7-8,15H2,1H3,(H,18,19)/t9-,13-/m0/s1","CHROMOPHORE (ALA, PHE, GLY)","2007-03-22","2024-09-27","{(2S)-2-[(1S)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid",""],["X9S","3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide","C32 H36 N8 O3","c1(ccc2c(c1)CCCC2NC(c3nc(no3)C(C)(C)C)=O)c4ccnc5c4nc(n5)c7c(C)n(C6CCOCC6)nc7;Cc1n(ncc1c2[nH]c3nccc(c4ccc5[CH](CCCc5c4)NC(=O)c6onc(n6)C(C)(C)C)c3n2)C7CCOCC7;Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCCC6NC(=O)c7nc(no7)C(C)(C)C","InChI=1S/C32H36N8O3/c1-18-24(17-34-40(18)21-11-14-42-15-12-21)27-36-26-23(10-13-33-28(26)37-27)20-8-9-22-19(16-20)6-5-7-25(22)35-29(41)30-38-31(39-43-30)32(2,3)4/h8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,35,41)(H,33,36,37)/t25-/m1/s1","","2020-12-07","2021-05-14","3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide","2021-05-19"],["X9T","(9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one","C22 H20 Cl N5 O3","Cc1ncc2NC(=O)N(c2n1)c1cnc(Oc2cccc3OCC(C)(C)c32)c(Cl)c1C;Cc1ncc2NC(=O)N(c3cnc(Oc4cccc5OCC(C)(C)c45)c(Cl)c3C)c2n1;Cc1c(cnc(c1Cl)Oc2cccc3c2C(CO3)(C)C)N4c5c(cnc(n5)C)NC4=O","InChI=1S/C22H20ClN5O3/c1-11-14(28-19-13(27-21(28)29)8-24-12(2)26-19)9-25-20(18(11)23)31-16-7-5-6-15-17(16)22(3,4)10-30-15/h5-9H,10H2,1-4H3,(H,27,29)","","2022-11-08","2023-10-20","(9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one","2023-10-25"],["X9U","~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide","C27 H22 N4 O2","CN1C=C(c2ccc(cc2)C(=O)Nc3cc(ccc3N)c4ccccc4)c5cc[nH]c5C1=O;CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4cc(ccc4N)c5ccccc5","InChI=1S/C27H22N4O2/c1-31-16-22(21-13-14-29-25(21)27(31)33)18-7-9-19(10-8-18)26(32)30-24-15-20(11-12-23(24)28)17-5-3-2-4-6-17/h2-16,29H,28H2,1H3,(H,30,32)","","2023-06-06","2023-06-30","~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide","2023-07-05"],["X9V","3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide","C32 H36 N8 O3","C(=O)(NC1CCCc2cc(ccc12)c6ccnc5nc(c4c(nn(C3CCOCC3)c4)C)nc56)c7nc(no7)C(C)(C)C;Cc1nn(cc1c2[nH]c3c(nccc3c4ccc5[CH](CCCc5c4)NC(=O)c6onc(n6)C(C)(C)C)n2)C7CCOCC7;Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCCC6NC(=O)c7nc(no7)C(C)(C)C","InChI=1S/C32H36N8O3/c1-18-24(17-40(38-18)21-11-14-42-15-12-21)27-35-26-23(10-13-33-28(26)36-27)20-8-9-22-19(16-20)6-5-7-25(22)34-29(41)30-37-31(39-43-30)32(2,3)4/h8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,34,41)(H,33,35,36)/t25-/m0/s1","","2020-12-07","2021-05-14","3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide","2021-05-19"],["X9W","(2R)-(dimethylphosphoryl)(hydroxy)acetic acid","C4 H9 O4 P","O=C(O)C(O)P(C)(C)=O;C[P](C)(=O)[CH](O)C(O)=O;CP(=O)(C)C(C(=O)O)O","InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1","","2023-10-26","2024-04-19","(2R)-(dimethylphosphoryl)(hydroxy)acetic acid","2024-04-24"],["X9X","D-allitol","C6 H14 O6","OC(C(O)CO)C(O)C(O)CO;OC[CH](O)[CH](O)[CH](O)[CH](O)CO;C(C(C(C(C(CO)O)O)O)O)O","InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+","","2014-10-30","2014-11-07","D-allitol","2014-11-12"],["X9Y","3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide","C32 H38 N8 O2","c1(ccc3c(c1)CCCCC3NC(c2nc(no2)C(C)(C)C)=O)c4c5c(ncc4)nc(n5)c6c(C)nn(c6C)C(C)C;CC(C)n1nc(C)c(c1C)c2[nH]c3nccc(c4ccc5[CH](CCCCc5c4)NC(=O)c6onc(n6)C(C)(C)C)c3n2;Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCCC5NC(=O)c6nc(no6)C(C)(C)C","InChI=1S/C32H38N8O2/c1-17(2)40-19(4)25(18(3)38-40)27-35-26-23(14-15-33-28(26)36-27)21-12-13-22-20(16-21)10-8-9-11-24(22)34-29(41)30-37-31(39-42-30)32(5,6)7/h12-17,24H,8-11H2,1-7H3,(H,34,41)(H,33,35,36)/t24-/m1/s1","","2020-12-07","2021-05-14","3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide","2021-05-19"],["X9Z","(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C27 H40 F3 N5 O6","CC1(C)C2C(C(=O)NC(CN3CCCC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CN3CCCC3=O)[CH](O)C(=O)N4CCC4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CN3CCCC3=O)C(C(=O)N4CCC4)O)C","InChI=1S/C27H40F3N5O6/c1-25(2,3)20(32-24(41)27(28,29)30)23(40)35-12-14-17(26(14,4)5)18(35)21(38)31-15(13-34-9-6-8-16(34)36)19(37)22(39)33-10-7-11-33/h14-15,17-20,37H,6-13H2,1-5H3,(H,31,38)(H,32,41)/t14-,15-,17-,18-,19+,20+/m0/s1","","2022-11-08","2024-09-27","(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-11"],["XA0","4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide","C14 H9 Cl F3 N3 O3","O=[N+]([O-])c1cc(c(cc1Cl)NCc2cc(F)c(F)c(F)c2)C(=O)N;NC(=O)c1cc(c(Cl)cc1NCc2cc(F)c(F)c(F)c2)[N+]([O-])=O;c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl","InChI=1S/C14H9ClF3N3O3/c15-8-4-11(7(14(19)22)3-12(8)21(23)24)20-5-6-1-9(16)13(18)10(17)2-6/h1-4,20H,5H2,(H2,19,22)","","2011-03-15","2012-08-03","4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide",""],["XA1","{(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)","C18 H29 B Cl N2 O5","O=C(O)C(N)(C2CCN(Cc1ccc(Cl)cc1)CC2)CCCC[B-](O)(O)O;N[C](CCCC[B-](O)(O)O)(C1CCN(CC1)Cc2ccc(Cl)cc2)C(O)=O;[B-](CCCCC(C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O","InChI=1S/C18H29BClN2O5/c20-16-5-3-14(4-6-16)13-22-11-7-15(8-12-22)18(21,17(23)24)9-1-2-10-19(25,26)27/h3-6,15,25-27H,1-2,7-13,21H2,(H,23,24)/q-1/t18-/m1/s1","","2013-02-12","2013-12-06","{(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)","2013-12-11"],["XA2","(R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid","C18 H28 B Cl2 N2 O5","O=C(O)C(N)(C2CCN(Cc1cc(Cl)c(Cl)cc1)CC2)CCCC[B-](O)(O)O;N[C](CCCC[B-](O)(O)O)(C1CCN(CC1)Cc2ccc(Cl)c(Cl)c2)C(O)=O;[B-](CCCCC(C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O","InChI=1S/C18H28BCl2N2O5/c20-15-4-3-13(11-16(15)21)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26,27)28/h3-4,11,14,26-28H,1-2,5-10,12,22H2,(H,24,25)/q-1/t18-/m1/s1","","2014-04-16","2014-07-11","{(5R)-5-amino-5-carboxy-5-[1-(3,4-dichlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)","2014-07-16"],["XA3","~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide","C26 H21 N5 O2","CN1C=C(c2ccc(nc2)C(=O)Nc3cc(ccc3N)c4ccccc4)c5cc[nH]c5C1=O;CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4cc(ccc4N)c5ccccc5","InChI=1S/C26H21N5O2/c1-31-15-20(19-11-12-28-24(19)26(31)33)18-8-10-22(29-14-18)25(32)30-23-13-17(7-9-21(23)27)16-5-3-2-4-6-16/h2-15,28H,27H2,1H3,(H,30,32)","","2023-06-06","2023-06-30","~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide","2023-07-05"],["XA4","(20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one","C30 H38 N8 O2","c2c1c6nc(cc(C(=O)N=C5N(CC(C)CCCOc1n(C)n2)c3c(ccc(c3)CN4CCN(CC4)C)N5)c6)C;C[CH]1CCCOc2n(C)ncc2c3cc(cc(C)n3)C(=O)N=C4Nc5ccc(CN6CCN(C)CC6)cc5N4C1;Cc1cc2cc(n1)-c3cnn(c3OCCCC(CN4c5cc(ccc5NC4=NC2=O)CN6CCN(CC6)C)C)C","InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1","","2020-12-07","2022-01-14","(5aE,20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(5H)-one","2022-01-19"],["XA5","N,N'-di(acridin-9-yl)butane-1,4-diamine","C30 H26 N4","C(CCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46;c1ccc2c(c1)c(c3ccccc3n2)NCCCCNc4c5ccccc5nc6c4cccc6","InChI=1S/C30H26N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1-8,11-18H,9-10,19-20H2,(H,31,33)(H,32,34)","","2023-10-25","2024-08-02","~{N},~{N}'-di(acridin-9-yl)butane-1,4-diamine","2024-08-07"],["XA6","(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid","C10 H12 N2 O3","N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O;c1cc(ccc1CC(C(=O)O)N)C(=O)N","InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1","","2021-04-01","2024-09-27","(2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid","2021-12-15"],["XA7","TETRAHEXYL AMMONNIUM","C24 H52 N","C(C[N+](CCCCCC)(CCCCCC)CCCCCC)CCCC;CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC;CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC","InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1","","2014-07-29","2014-08-22","N,N,N-trihexylhexan-1-aminium","2014-08-27"],["XA8","(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","C28 H42 F3 N5 O6","CC1(C)C2C(C(=O)NC(CN3CCCCC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C;CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](CN3CCCCC3=O)[CH](O)C(=O)N4CCC4)C2(C)C;CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CN3CCCCC3=O)C(C(=O)N4CCC4)O)C","InChI=1S/C28H42F3N5O6/c1-26(2,3)21(33-25(42)28(29,30)31)24(41)36-13-15-18(27(15,4)5)19(36)22(39)32-16(14-35-10-7-6-9-17(35)37)20(38)23(40)34-11-8-12-34/h15-16,18-21,38H,6-14H2,1-5H3,(H,32,39)(H,33,42)/t15-,16-,18-,19-,20+,21+/m0/s1","","2022-11-08","2024-09-27","(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide","2023-10-11"],["XA9","3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C19 H20 N2 O3","CCOc1ncccc1c2c([nH]c3c(cccc23)C(C)C)C(O)=O;CCOc1c(cccn1)c2c3cccc(c3[nH]c2C(=O)O)C(C)C","InChI=1S/C19H20N2O3/c1-4-24-18-14(9-6-10-20-18)15-13-8-5-7-12(11(2)3)16(13)21-17(15)19(22)23/h5-11,21H,4H2,1-3H3,(H,22,23)","","2023-06-06","2024-06-21","3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XAA","(1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)PROPAN-2-OL","C6 H10 N2 O S","OC(C(N)c1nccs1)C;C[CH](O)[CH](N)c1sccn1;CC(C(c1nccs1)N)O","InChI=1S/C6H10N2OS/c1-4(9)5(7)6-8-2-3-10-6/h2-5,9H,7H2,1H3/t4-,5+/m1/s1","","2000-11-02","2011-06-04","(1S,2R)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol",""],["XAC","N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide","C21 H28 N6 O4","O=C(NCCN)COc3ccc(c2nc1c(C(=O)N(C(=O)N1CCC)CCC)n2)cc3;CCCN1C(=O)N(CCC)c2nc([nH]c2C1=O)c3ccc(OCC(=O)NCCN)cc3;CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC","InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)","","2011-04-12","2011-09-02","N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide",""],["XAD","9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-6-AMINE","C11 H16 N5 O6 P","O=P(O)(O)OCC3OC(n1cnc2c(ncnc12)N)CCC3O;Nc1ncnc2n(cnc12)[CH]3CC[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc(c2c(n1)n(cn2)C3CCC(C(O3)COP(=O)(O)O)O)N","InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1","2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL ADENINE","2006-06-20","2020-06-17","9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-9H-purin-6-amine",""],["XAE","3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-G]QUINAZOLIN-8-AMINE","C14 H16 N5 O6 P","O=P(O)(O)OCC4OC(n3cnc2cc1c(ncnc1cc23)N)CC4O;Nc1ncnc2cc3n(cnc3cc12)[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4;c1c2c(cc3c1ncn3C4CC(C(O4)COP(=O)(O)O)O)ncnc2N","InChI=1S/C14H16N5O6P/c15-14-7-1-9-10(2-8(7)16-5-17-14)19(6-18-9)13-3-11(20)12(25-13)4-24-26(21,22)23/h1-2,5-6,11-13,20H,3-4H2,(H2,15,16,17)(H2,21,22,23)/t11-,12+,13+/m0/s1","","2006-09-26","2011-06-04","3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[4,5-g]quinazolin-8-amine",""],["XAF","2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol","C23 H20 F N3 O3 S","Cc1cccc(n1)c2n[nH]cc2c3ccc(F)c(c3)c4ccc(cc4)[S](=O)(=O)CCO;Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F","InChI=1S/C23H20FN3O3S/c1-15-3-2-4-22(26-15)23-20(14-25-27-23)17-7-10-21(24)19(13-17)16-5-8-18(9-6-16)31(29,30)12-11-28/h2-10,13-14,28H,11-12H2,1H3,(H,25,27)","","2019-01-11","2019-02-22","2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol","2019-02-27"],["XAG","N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","C13 H28 N3 O7 P S","CC(COP(O)(=O)O)(C)C(O)C(NCCC(=O)NCCSCCN)=O;CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSCCN;CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCN)O","InChI=1S/C13H28N3O7PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)16-5-3-10(17)15-6-8-25-7-4-14/h11,18H,3-9,14H2,1-2H3,(H,15,17)(H,16,19)(H2,20,21,22)/t11-/m0/s1","","2020-12-07","2024-09-27","N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide","2021-03-24"],["XAH","5'-O-{(R)-hydroxy[(L-lysylamino)oxy]phosphoryl}adenosine","C16 H27 N8 O8 P","O=P(O)(ONC(=O)C(N)CCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;NCCCC[CH](N)C(=O)NO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)ONC(=O)C(CCCCN)N)O)O)N","InChI=1S/C16H27N8O8P/c17-4-2-1-3-8(18)15(27)23-32-33(28,29)30-5-9-11(25)12(26)16(31-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,16,25-26H,1-5,17-18H2,(H,23,27)(H,28,29)(H2,19,20,21)/t8-,9+,11+,12+,16+/m0/s1","","2008-08-27","2011-06-04","5'-O-{(R)-hydroxy[(L-lysylamino)oxy]phosphoryl}adenosine",""],["XAI","(2R)-2,3-dihydroxy-3-methylbutanoic acid","C5 H10 O4","O=C(O)C(O)C(C)(C)O;CC(C)(O)[CH](O)C(O)=O;CC(C)(C(C(=O)O)O)O","InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1","","2023-10-26","2024-04-19","(2R)-2,3-dihydroxy-3-methylbutanoic acid","2024-04-24"],["XAJ","ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1H-pyrrole-2-carboxylate","C17 H15 F3 N2 O3","c1nc(c(C)c1Cc2c3c(c(cc2)C(F)(F)F)nco3)C(=O)OCC;CCOC(=O)c1[nH]cc(Cc2ccc(c3ncoc23)C(F)(F)F)c1C;CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C","InChI=1S/C17H15F3N2O3/c1-3-24-16(23)13-9(2)11(7-21-13)6-10-4-5-12(17(18,19)20)14-15(10)25-8-22-14/h4-5,7-8,21H,3,6H2,1-2H3","","2020-12-08","2021-05-14","ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1H-pyrrole-2-carboxylate","2021-05-19"],["XAK","S-(carboxymethyl)-L-cysteinylglycinamide","C7 H13 N3 O4 S","O=C(NCC(N)=O)C(N)CSCC(O)=O;N[CH](CSCC(O)=O)C(=O)NCC(N)=O;C(C(C(=O)NCC(=O)N)N)SCC(=O)O","InChI=1S/C7H13N3O4S/c8-4(2-15-3-6(12)13)7(14)10-1-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)/t4-/m0/s1","","2022-11-08","2025-10-10","S-(carboxymethyl)-L-cysteinylglycinamide","2025-10-15"],["XAL","[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE","C12 H16 N5 O5 P","O=P(O)(O)OCC3C=CC(n1c2ncnc(c2nc1)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C=C3;c1nc(c2c(n1)n(cn2)C3CC(C(C=C3)COP(=O)(O)O)O)N","InChI=1S/C12H16N5O5P/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(9(18)3-8)4-22-23(19,20)21/h1-2,5-9,18H,3-4H2,(H2,13,14,15)(H2,19,20,21)/t7-,8-,9+/m0/s1","","2006-05-19","2011-06-04","[(1S,4R,6R)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XAM","(1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside","C44 H60 Cl2 N4 O14","O=C(OC1C(OC)C(OC(C)C1OC(=O)N)N2C(=O)C(=C(O)C2C(C)C)C(=O)C6C(C=CC5C(OC3OC(C(O)C(O)(C3)C(NC(=O)c4c(Cl)c(Cl)c(n4)C)C)C)CC/C(=C)C56)C)C;CO[CH]1[CH](OC(C)=O)[CH](OC(N)=O)[CH](C)O[CH]1N2[CH](C(C)C)C(=C(C(=O)[CH]3[CH](C)C=C[CH]4[CH](CCC(=C)[CH]34)O[CH]5C[C](O)([CH](C)NC(=O)c6[nH]c(C)c(Cl)c6Cl)[CH](O)[CH](C)O5)C2=O)O;Cc1c(c(c([nH]1)C(=O)NC(C)C2(CC(OC(C2O)C)OC3CCC(=C)C4C3C=CC(C4C(=O)C5=C(C(N(C5=O)C6C(C(C(C(O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl","InChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,53-54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1","Amycolamicin","2012-04-11","2021-03-01","(1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside","2014-07-16"],["XAN","XANTHINE","C5 H4 N4 O2","O=C2c1ncnc1NC(=O)N2;O=C1NC(=O)c2nc[nH]c2N1;c1[nH]c2c(n1)C(=O)NC(=O)N2","InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)","","1999-07-08","2011-06-04","3,9-dihydro-1H-purine-2,6-dione",""],["XAO","CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE","C14 H29 N O2","OC(CC(C)C)C(O)C(N)CC1CCCCC1;CC(C)C[CH](O)[CH](O)[CH](N)CC1CCCCC1;CC(C)CC(C(C(CC1CCCCC1)N)O)O","InChI=1S/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1","","1999-07-08","2011-06-04","(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol",""],["XAP","3-AMINOOXY-1-AMINOPROPANE","C3 H10 N2 O","O(N)CCCN;NCCCON;C(CN)CON","InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2","","2007-01-25","2011-06-04","3-(aminooxy)propan-1-amine",""],["XAQ","3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C24 H28 F N3 O4 S","CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(CN[S](=O)(=O)C4CCNCC4)c(F)c3;CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CNS(=O)(=O)C4CCNCC4)C(=O)O","InChI=1S/C24H28FN3O4S/c1-14(2)18-4-3-5-19-21(23(24(29)30)28-22(18)19)15-6-7-16(20(25)12-15)13-27-33(31,32)17-8-10-26-11-9-17/h3-7,12,14,17,26-28H,8-11,13H2,1-2H3,(H,29,30)","","2023-06-06","2024-06-21","3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XAR","[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE","C12 H16 N5 O5 P","O=P(O)(O)OCC3C=CC(n1c2ncnc(c2nc1)N)CC3O;Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C=C3;c1nc(c2c(n1)n(cn2)C3CC(C(C=C3)COP(=O)(O)O)O)N","InChI=1S/C12H16N5O5P/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(9(18)3-8)4-22-23(19,20)21/h1-2,5-9,18H,3-4H2,(H2,13,14,15)(H2,19,20,21)/t7-,8-,9+/m1/s1","","2007-04-18","2011-06-04","[(1R,4S,6S)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XAT","(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL","C40 H56 O4","OC1CC(C)(C)C2(OC2(C)C1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C34OC4(C)CC(O)CC3(C)C)C)C)C)C;CC(=CC=CC=C(C)C=CC=C(C)C=C[C]12O[C]1(C)C[CH](O)CC2(C)C)C=CC=C(C)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C;CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C","InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1","VIOLAXANTHIN","2003-12-22","2020-06-17","(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol",""],["XAV","2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol","C14 H11 F3 N2 O S","Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F;c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F","InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)","","2009-12-04","2011-06-04","2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol",""],["XAW","[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone","C21 H28 Cl N3 O","O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2;Nc1ccc(Cl)cc1N2CCN(CC2)C(=O)C34CC5CC(CC(C5)C3)C4;c1cc(c(cc1Cl)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)N","InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21-","","2022-11-08","2023-11-03","[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone","2023-11-08"],["XAX","{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum","C10 H13 Mo N5 O8 P S3","O=P(O)(O)OCC2OC3NC=4N=C(NC(=O)C=4NC3C=1S[Mo](=O)(=S)(O)SC=12)N;NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C4=C3S[Mo](O)(=O)(=S)S4)C(=O)N1;C(C1C2=C(C3C(O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O","InChI=1S/C10H14N5O6PS2.Mo.H2O.O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;1H2;;/q;+3;;;/p-3/t2-,3+,9-;;;;/m1..../s1","","2011-06-06","2012-02-17","{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum",""],["XAY","2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid","C25 H21 N3 O4","OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O;Cc1ccc(cc1)C(=O)Nc2cccc(C[CH](C#N)C(=O)Nc3ccccc3C(O)=O)c2;Cc1ccc(cc1)C(=O)Nc2cccc(c2)CC(C#N)C(=O)Nc3ccccc3C(=O)O","InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1","","2020-12-08","2024-09-27","2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid","2021-12-15"],["XAZ","5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine","C8 H10 N4","n1c(cc(n2nc(cc12)N)C)C;Cc1cc(C)n2nc(N)cc2n1;Cc1cc(n2c(n1)cc(n2)N)C","InChI=1S/C8H10N4/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3,(H2,9,11)","","2011-07-27","2014-04-29","5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine",""],["XB0","3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C20 H21 N O3","CC(C)c1cccc2c1[nH]c(C(O)=O)c2O[CH](C)c3ccccc3;CC(C)c1cccc2c1[nH]c(c2OC(C)c3ccccc3)C(=O)O","InChI=1S/C20H21NO3/c1-12(2)15-10-7-11-16-17(15)21-18(20(22)23)19(16)24-13(3)14-8-5-4-6-9-14/h4-13,21H,1-3H3,(H,22,23)/t13-/m0/s1","","2023-06-06","2024-06-21","3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XB1","N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea","C17 H27 N7 O3 S2","C(CCSc2nc1C(=O)N(C(N(c1n2)C)=O)C)NC(NCCN3CCOCC3)=S;CN1C(=O)N(C)c2[nH]c(SCCCNC(=S)NCCN3CCOCC3)nc2C1=O;CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C","InChI=1S/C17H27N7O3S2/c1-22-13-12(14(25)23(2)17(22)26)20-16(21-13)29-11-3-4-18-15(28)19-5-6-24-7-9-27-10-8-24/h3-11H2,1-2H3,(H,20,21)(H2,18,19,28)","","2020-12-08","2021-02-12","N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea","2021-02-17"],["XB2","Mavacamten","C15 H19 N3 O2","CC(C)N1C(=O)NC(=CC1=O)N[CH](C)c2ccccc2;CC(C)N1C(=O)C=C(NC1=O)NC(C)c2ccccc2","InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1","6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione","2023-10-26","2025-11-04","6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione","2023-12-13"],["XB3","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C42 H47 N9 O16 P2","Cc1cc2c(cc1C)N1C(O)CC(c3ccc(cc3)c3ccccc3)C11C(=O)NC(=O)N=C1N2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8ccc(cc8)c9ccccc9;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccc(cc8)c9ccccc9)O","InChI=1S/C42H47N9O16P2/c1-20-12-26-27(13-21(20)2)51-31(54)14-25(24-10-8-23(9-11-24)22-6-4-3-5-7-22)42(51)39(47-41(59)48-40(42)58)49(26)15-28(52)33(55)29(53)16-64-68(60,61)67-69(62,63)65-17-30-34(56)35(57)38(66-30)50-19-46-32-36(43)44-18-45-37(32)50/h3-13,18-19,25,28-31,33-35,38,52-57H,14-17H2,1-2H3,(H,60,61)(H,62,63)(H2,43,44,45)(H,48,58,59)/t25-,28-,29+,30+,31+,33-,34+,35+,38+,42-/m0/s1","","2022-11-09","2024-06-07","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2024-06-12"],["XB4","3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","C19 H19 F N2 O3","CCOc1ncc(F)cc1c2c([nH]c3c(cccc23)C(C)C)C(O)=O;CCOc1c(cc(cn1)F)c2c3cccc(c3[nH]c2C(=O)O)C(C)C","InChI=1S/C19H19FN2O3/c1-4-25-18-14(8-11(20)9-21-18)15-13-7-5-6-12(10(2)3)16(13)22-17(15)19(23)24/h5-10,22H,4H2,1-3H3,(H,23,24)","","2023-06-06","2024-06-21","3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XB5","5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide","C29 H36 N6 O2","CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C;CCn1ccc(n1)c2cc(cc(c2)c3cnn(C)c3)[CH](C)NC(=O)c4cc(OCCN(C)C)ccc4C;CCn1ccc(n1)c2cc(cc(c2)C(C)NC(=O)c3cc(ccc3C)OCCN(C)C)c4cnn(c4)C","InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36)","","2023-10-26","2024-03-29","5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide","2024-04-03"],["XB6","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C42 H47 N9 O16 P2","Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)C=1NC(=O)NC(=O)C=1N2C(=O)CCc1ccc(cc1)c1ccccc1;Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)CCc7ccc(cc7)c8ccccc8)c2cc1C)C(=O)NC(=O)N6;Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccc(cc7)c8ccccc8","InChI=1S/C42H47N9O16P2/c1-21-14-26-27(15-22(21)2)51(31(54)13-10-23-8-11-25(12-9-23)24-6-4-3-5-7-24)33-39(47-42(59)48-40(33)58)49(26)16-28(52)34(55)29(53)17-64-68(60,61)67-69(62,63)65-18-30-35(56)36(57)41(66-30)50-20-46-32-37(43)44-19-45-38(32)50/h3-9,11-12,14-15,19-20,28-30,34-36,41,52-53,55-57H,10,13,16-18H2,1-2H3,(H,60,61)(H,62,63)(H2,43,44,45)(H2,47,48,58,59)/t28-,29+,30+,34-,35+,36+,41+/m0/s1","","2022-11-09","2024-06-07","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2024-06-12"],["XB7","1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","C28 H31 F N4 O","COc1ccc(cc1)CCN2CCC(CC2)Nc4n(c3c(cccc3)n4)Cc5ccc(cc5)F;COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1;COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F","InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)","","2020-12-08","2021-02-19","1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","2021-02-24"],["XB8","~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine","C28 H32 F N O2","COc1cccc(CN(CCCc2ccccc2F)C3CCC3)c1OCc4ccccc4;COc1cccc(c1OCc2ccccc2)CN(CCCc3ccccc3F)C4CCC4","InChI=1S/C28H32FNO2/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3","","2023-02-06","2023-06-09","~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine","2023-06-14"],["XB9","N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","C6 H13 N2 O7 P","OC1CC(NC(=O)N)OC1COP(=O)(O)O;NC(=O)N[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1;C1C(C(OC1NC(=O)N)COP(=O)(O)O)O","InChI=1S/C6H13N2O7P/c7-6(10)8-5-1-3(9)4(15-5)2-14-16(11,12)13/h3-5,9H,1-2H2,(H3,7,8,10)(H2,11,12,13)/t3-,4+,5+/m0/s1","","2023-10-27","2024-03-15","N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine","2024-03-20"],["XBA","7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one","C19 H23 F N2 O3 S","C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)OCC4CC4)O;O[CH]1CC[CH](CC1)SCC2=Nc3cc(OCC4CC4)cc(F)c3C(=O)N2;c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4","InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)/t12-,14-","","2020-12-08","2021-03-19","7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one","2021-03-24"],["XBB","(3S)-2,3,4,5-TETRAHYDROPYRIDIN-3-AMINE","C5 H10 N2","N1=CCCC(N)C1;N[CH]1CCC=NC1;C1CC(CN=C1)N","InChI=1S/C5H10N2/c6-5-2-1-3-7-4-5/h3,5H,1-2,4,6H2/t5-/m1/s1","","2000-11-02","2011-06-04","(3R)-2,3,4,5-tetrahydropyridin-3-amine",""],["XBC","Cruentaren A","C33 H51 N O8","CCCC(O)C(C)C(=O)NCC=C/CC(C)C(O)C(C)C1CC=CCC(C)C(O)Cc2cc(OC)cc(O)c2C(=O)O1;CCC[CH](O)[CH](C)C(=O)NCC=CC[CH](C)[CH](O)[CH](C)[CH]1CC=CC[CH](C)[CH](O)Cc2cc(OC)cc(O)c2C(=O)O1;CCCC(C(C)C(=O)NCC=CCC(C)C(C(C)C1CC=CCC(C(Cc2cc(cc(c2C(=O)O1)O)OC)O)C)O)O","InChI=1S/C33H51NO8/c1-7-12-26(35)22(4)32(39)34-16-11-10-14-21(3)31(38)23(5)29-15-9-8-13-20(2)27(36)18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10-/t20-,21+,22+,23+,26-,27+,29-,31+/m0/s1","(2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide","2022-11-09","2023-03-31","(2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide","2023-04-05"],["XBD","2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","C26 H28 F3 N7 O2","n3c(Nc2ccc(N1CCN(C)CC1)cc2OC)ncc4c3N(C)c5ccccc5C(N4CC(F)(F)F)=O;COc1cc(ccc1Nc2ncc3N(CC(F)(F)F)C(=O)c4ccccc4N(C)c3n2)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C","InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)","","2020-12-08","2021-09-17","2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one","2021-09-22"],["XBE","naphthalene-1,3,7-trisulfonic acid","C10 H8 O9 S3","O[S](=O)(=O)c1ccc2cc(cc(c2c1)[S](O)(=O)=O)[S](O)(=O)=O;c1cc(cc2c1cc(cc2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","InChI=1S/C10H8O9S3/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)","","2023-06-06","2024-06-21","naphthalene-1,3,7-trisulfonic acid","2024-06-26"],["XBF","~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide","C16 H25 N O4","CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1;CCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)O)O","InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-17(2)16(21)12-10-13(18)15(20)14(19)11-12/h10-11,18-20H,3-9H2,1-2H3","","2023-10-27","2024-01-19","~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide","2024-01-24"],["XBG","(2S,3AS,6AS)-OCTAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLIC-ACID","C8 H13 N O2","O=C(O)C1NC2CCCC2C1;OC(=O)[CH]1C[CH]2CCC[CH]2N1;C1CC2CC(NC2C1)C(=O)O","InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1","","2010-09-27","2012-01-13","(2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid",""],["XBH","~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","C19 H16 F3 N3 S","FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(cc3)C4CC4)ccn1;c1cc(ccc1c2ncc(s2)CNc3ccnc(c3)C(F)(F)F)C4CC4","InChI=1S/C19H16F3N3S/c20-19(21,22)17-9-15(7-8-23-17)24-10-16-11-25-18(26-16)14-5-3-13(4-6-14)12-1-2-12/h3-9,11-12H,1-2,10H2,(H,23,24)","","2021-11-22","2022-11-25","~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine","2022-11-30"],["XBI","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","C21 H33 N O4","C[CH]1CC(C)(C)[CH]2C[CH](O)C(=C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)[C]2(C)C1;CC1CC(C2CC(C(=C)C(C2(C1)C)CC(C3CC(=O)NC3=O)O)O)(C)C","InChI=1S/C21H33NO4/c1-11-9-20(3,4)17-8-15(23)12(2)14(21(17,5)10-11)7-16(24)13-6-18(25)22-19(13)26/h11,13-17,23-24H,2,6-10H2,1,3-5H3,(H,22,25,26)/t11-,13+,14-,15-,16-,17-,21+/m0/s1","","2023-06-06","2024-11-22","(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione","2024-11-27"],["XBJ","4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL","C23 H27 F N4 O4","Fc4cc(c2nc(NC1C(CNC1)C(O)(C)C)c3cc(OC)c(OC)cc3n2)c(O)cc4;COc1cc2nc(nc(N[CH]3CNC[CH]3C(C)(C)O)c2cc1OC)c4cc(F)ccc4O;CC(C)(C1CNCC1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O","InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1","","2010-04-12","2011-06-04","4-fluoro-2-(4-{[(3S,4R)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol",""],["XBK","4,5-DE-EPOXYPIMARICIN","C33 H47 N O12","O=C(O)C1C(O)CC3(O)OC1CC(OC2OC(C)C(O)C(N)C2O)C=CC=CC=CC=CCC(OC(=O)C=CC=CCC(O)C3)C;C[CH]1CC=CC=CC=CC=C[CH](C[CH]2O[C](O)(C[CH](O)CC=CC=CC(=O)O1)C[CH](O)[CH]2C(O)=O)O[CH]3O[CH](C)[CH](O)[CH](N)[CH]3O;CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC=CC=CC(=O)O1)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O","InChI=1S/C33H47NO12/c1-20-13-9-6-4-3-5-7-11-15-23(45-32-30(39)28(34)29(38)21(2)44-32)17-25-27(31(40)41)24(36)19-33(42,46-25)18-22(35)14-10-8-12-16-26(37)43-20/h3-12,15-16,20-25,27-30,32,35-36,38-39,42H,13-14,17-19,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,9-6+,10-8+,15-11+,16-12+/t20-,21-,22+,23+,24+,25+,27-,28+,29-,30+,32+,33-/m1/s1","","2010-04-12","2011-06-04","(1R,3S,5E,7E,11R,13E,15E,17E,19E,21R,23S,24R,25S)-21-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,25-trihydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-5,7,13,15,17,19-hexaene-24-carboxylic acid",""],["XBL","6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine","C19 H17 N5","n1nc2c5c(c(nn2c1C)N4Cc3ccccc3CC4)cccc5;Cc1nnc2n1nc(N3CCc4ccccc4C3)c5ccccc25;Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4","InChI=1S/C19H17N5/c1-13-20-21-18-16-8-4-5-9-17(16)19(22-24(13)18)23-11-10-14-6-2-3-7-15(14)12-23/h2-9H,10-12H2,1H3","","2014-02-12","2014-04-25","6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl[1,2,4]triazolo[3,4-a]phthalazine","2014-04-30"],["XBM","N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide","C20 H23 Cl2 N3 O5 S","C(C(NC(C(C)C)C(NO)=O)=O)(Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl;CC(C)[CH](NC(=O)[CH](Cc1ccccc1)N[S](=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)NO;CC(C)C(C(=O)NO)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl","InChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1","","2020-12-08","2021-04-09","N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide","2021-04-14"],["XBN","(2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic acid","C9 H20 N2 O3","CCCCCCNN[CH](CO)C(O)=O;CCCCCCNNC(CO)C(=O)O","InChI=1S/C9H20N2O3/c1-2-3-4-5-6-10-11-8(7-12)9(13)14/h8,10-12H,2-7H2,1H3,(H,13,14)/t8-/m0/s1","","2023-10-27","2024-10-25","(2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic acid","2024-10-30"],["XBO","HEPTAMOLYBDATE","Mo7 O24","O=[Mo]123(=O)O[Mo]4567O[Mo]89(=O)(=O)O[Mo]%10%11(=O)(=O)O[Mo](=O)(=O)(O1)([O+]4%10)[O++]25[Mo]%12(=O)(=O)(O3)O[Mo](=O)(=O)(O8)([O+]6%12)[O++]79%11;O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5","InChI=1S/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;2*+2","","2013-06-27","2014-12-08","","2014-02-12"],["XBP","XYLULOSE-1,5-BISPHOSPHATE","C5 H12 O11 P2","O=P(O)(O)OCC(=O)C(O)C(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O;C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1","","1999-07-08","2011-06-04","1,5-di-O-phosphono-D-xylulose",""],["XBQ","Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide","C29 H33 N5 O6 S","O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)N(C)c2ccc(OC)cc2)CC1;COc1ccc(cc1)N(C)C(=O)[CH](Cc2ccccc2)NC(=O)CN3CCN(CC3=O)[S](=O)(=O)c4ccc(N)cc4;CN(c1ccc(cc1)OC)C(=O)C(Cc2ccccc2)NC(=O)CN3CCN(CC3=O)S(=O)(=O)c4ccc(cc4)N","InChI=1S/C29H33N5O6S/c1-32(23-10-12-24(40-2)13-11-23)29(37)26(18-21-6-4-3-5-7-21)31-27(35)19-33-16-17-34(20-28(33)36)41(38,39)25-14-8-22(30)9-15-25/h3-15,26H,16-20,30H2,1-2H3,(H,31,35)/t26-/m0/s1","","2022-11-10","2023-09-08","Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide","2023-09-13"],["XBR","3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid","C20 H19 Cl N2 O2","OC(=O)CCN1CCc2c([nH]c3ccccc23)[CH]1c4ccc(Cl)cc4;c1ccc2c(c1)c3c([nH]2)C(N(CC3)CCC(=O)O)c4ccc(cc4)Cl","InChI=1S/C20H19ClN2O2/c21-14-7-5-13(6-8-14)20-19-16(9-11-23(20)12-10-18(24)25)15-3-1-2-4-17(15)22-19/h1-8,20,22H,9-12H2,(H,24,25)/t20-/m1/s1","","2015-07-28","2015-10-09","3-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoic acid","2015-10-14"],["XBS","3-[(E)-2-(4-boronophenyl)ethenyl]benzoic acid","C15 H13 B O4","c2c(cc(C=Cc1ccc(B(O)O)cc1)cc2)C(O)=O;OB(O)c1ccc(C=Cc2cccc(c2)C(O)=O)cc1;B(c1ccc(cc1)C=Cc2cccc(c2)C(=O)O)(O)O","InChI=1S/C15H13BO4/c17-15(18)13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(19)20/h1-10,19-20H,(H,17,18)/b5-4+","","2016-12-07","2017-09-22","3-[(E)-2-(4-boronophenyl)ethenyl]benzoic acid","2017-09-27"],["XBT","2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole","C7 H13 N S","CC[CH](C)C1=NCCS1;CCC(C)C1=NCCS1","InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m1/s1","2-sec-butyl-4,5-dihydrothiazole","2009-12-16","2021-03-13","2-[(2R)-butan-2-yl]-4,5-dihydro-1,3-thiazole",""],["XBU","methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate","C19 H16 O7","COC(=O)[C]1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O;COC(=O)C1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O","InChI=1S/C19H16O7/c1-25-18(24)19(10-11-2-6-13(20)7-3-11)15(16(22)17(23)26-19)12-4-8-14(21)9-5-12/h2-9,20-22H,10H2,1H3/t19-/m1/s1","","2016-07-11","2016-12-16","methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate","2016-12-21"],["XBV","(3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}","C24 H21 Cl F3 N5 O3","FC(F)CN4CC(C(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C(C(=O)Nc3ncc(Cl)cc3)C4;FC(F)CN1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cn4;c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C3CN(CC3C(=O)Nc4ccc(cn4)Cl)CC(F)F","InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1","","2010-04-15","2011-06-04","(3R,4R)-N-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]pyrrolidine-3,4-dicarboxamide",""],["XBW","~{N}-(phenylmethyl)pyridine-2-carboxamide","C13 H12 N2 O","O=C(NCc1ccccc1)c2ccccn2;c1ccc(cc1)CNC(=O)c2ccccn2","InChI=1S/C13H12N2O/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)","","2023-06-06","2024-09-27","~{N}-(phenylmethyl)pyridine-2-carboxamide","2024-06-12"],["XBX","(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","C50 H89 N O16","CCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C[CH](O)CCCC[CH](O)C[CH](C)C[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C)CCCC;CCCCCCCCCCCCCCCC(=O)NC(C)C(CC(CCCCC(CC(C)CC(C(C(C)CCCC)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O)O)O)O","InChI=1S/C50H89NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-26-43(55)51-36(5)41(54)33-40(53)25-22-21-24-39(52)27-34(3)28-42(66-46(60)31-37(49(62)63)29-44(56)57)48(35(4)23-9-7-2)67-47(61)32-38(50(64)65)30-45(58)59/h34-42,48,52-54H,6-33H2,1-5H3,(H,51,55)(H,56,57)(H,58,59)(H,62,63)(H,64,65)","","2023-10-30","2024-11-08","(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","2024-11-13"],["XBY","3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide","C20 H20 F3 N3 O2","c3cc(Cc2c(c(C(NC(c1cc(C)on1)C)=O)nc2)C)ccc3C(F)(F)F;C[CH](NC(=O)c1[nH]cc(Cc2ccc(cc2)C(F)(F)F)c1C)c3cc(C)on3;Cc1cc(no1)C(C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C","InChI=1S/C20H20F3N3O2/c1-11-8-17(26-28-11)13(3)25-19(27)18-12(2)15(10-24-18)9-14-4-6-16(7-5-14)20(21,22)23/h4-8,10,13,24H,9H2,1-3H3,(H,25,27)/t13-/m1/s1","","2020-12-09","2021-05-14","3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide","2021-05-19"],["XBZ","1,2,4-trimethylbenzene","C9 H12","c1c(ccc(c1C)C)C;Cc1ccc(C)c(C)c1;Cc1ccc(c(c1)C)C","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3","","2014-11-11","2016-02-26","1,2,4-trimethylbenzene","2016-03-02"],["XC","[(2~{R},3~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","C9 H16 N3 O7 P","NC1=NC(=O)N(CC1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2;C1CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O","InChI=1S/C9H16N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h5-6,8,13H,1-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6-,8-/m1/s1","","2021-01-12","2021-01-22","[(2~{R},3~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate","2021-01-27"],["XC0","(2S)-2-aminooctanoic acid","C8 H17 N O2","NC(CCCCCC)C(=O)O;CCCCCC[CH](N)C(O)=O;CCCCCCC(C(=O)O)N","InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1","","2022-11-10","2024-09-27","(2S)-2-aminooctanoic acid","2023-11-01"],["XC1","N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide","C17 H25 Cl2 N3 O5 S","C(C(CC)C)(C(=O)NC(C(=O)NO)CCC)NS(c1cc(cc(c1)Cl)Cl)(=O)=O;CCC[CH](NC(=O)[CH](N[S](=O)(=O)c1cc(Cl)cc(Cl)c1)[CH](C)CC)C(=O)NO;CCCC(C(=O)NO)NC(=O)C(C(C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl","InChI=1S/C17H25Cl2N3O5S/c1-4-6-14(16(23)21-25)20-17(24)15(10(3)5-2)22-28(26,27)13-8-11(18)7-12(19)9-13/h7-10,14-15,22,25H,4-6H2,1-3H3,(H,20,24)(H,21,23)/t10-,14-,15-/m0/s1","","2020-12-09","2021-04-09","N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide","2021-04-14"],["XC2","(3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID","C27 H28 N2 O4 S","O=C2C(=C(C(=C1SCC(N12)C(=O)O)C3CC3)Cc5c4ccccc4ccc5)CN6CCOCC6;OC(=O)[CH]1CSC2=C(C3CC3)C(=C(CN4CCOCC4)C(=O)N12)Cc5cccc6ccccc56;c1ccc2c(c1)cccc2CC3=C(C(=O)N4C(CSC4=C3C5CC5)C(=O)O)CN6CCOCC6","InChI=1S/C27H28N2O4S/c30-25-22(15-28-10-12-33-13-11-28)21(14-19-6-3-5-17-4-1-2-7-20(17)19)24(18-8-9-18)26-29(25)23(16-34-26)27(31)32/h1-7,18,23H,8-16H2,(H,31,32)/t23-/m0/s1","","2006-10-12","2011-06-04","(3R)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid",""],["XC3","[(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium","C11 H21 B N3 O6","C[CH](N)C(=O)N1C[CH](CC=C[B+](O)(O)O)[C](N)(C1)C(O)=O;[B+](C=CCC1CN(CC1(C(=O)O)N)C(=O)C(C)N)(O)(O)O","InChI=1S/C11H21BN3O6/c1-7(13)9(16)15-5-8(3-2-4-12(19,20)21)11(14,6-15)10(17)18/h2,4,7-8,19-21H,3,5-6,13-14H2,1H3,(H,17,18)/q+1/b4-2+/t7-,8-,11-/m0/s1","","2018-12-19","2019-12-06","[(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium","2019-12-11"],["XC4","1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole","C15 H10 N4 O2","c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4;O=C(On1nnc2ccccc12)c3ccc4[nH]ccc4c3;c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4","InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H","","2020-12-09","2024-09-27","1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole","2020-12-16"],["XC5","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine","C10 H18 N3 O12 P3","P(=O)(O)(CP(O)(OP(=O)(O)O)=O)OCC2C(CC(N1C=CC(=NC1=O)N)O2)O;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)O2;C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O","InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,14H,3-5H2,(H,16,17)(H,18,19)(H2,11,12,15)(H2,20,21,22)/t6-,7+,9+/m0/s1","","2017-03-06","2017-05-05","2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine","2017-05-10"],["XC6","7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C20 H19 F N2 O6 S","C[CH](OC(C)=O)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](N)(=O)=O)c(F)c3;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)N)C(=O)O)OC(=O)C","InChI=1S/C20H19FN2O6S/c1-10(29-11(2)24)14-4-3-5-15-17(19(20(25)26)23-18(14)15)12-6-7-13(16(21)8-12)9-30(22,27)28/h3-8,10,23H,9H2,1-2H3,(H,25,26)(H2,22,27,28)/t10-/m0/s1","","2023-06-06","2024-06-21","7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XC7","3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide","C19 H19 F3 N6 O","c1nc(C(F)(F)F)ccc1C2(CC2)c3cnc(c3C)C(=O)NC(c4ncnn4)C;C[CH](NC(=O)c1[nH]cc(c1C)C2(CC2)c3ccc(nc3)C(F)(F)F)c4n[nH]cn4;Cc1c(c[nH]c1C(=O)NC(C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F","InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1","","2020-12-10","2021-05-14","3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide","2021-05-19"],["XC8","4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside","C21 H21 F4 N O6","FC(F)(F)c1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1c1ccc(F)cc1;CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2cccc(c2c3ccc(F)cc3)C(F)(F)F;CC(=O)NC1C(C(C(OC1Oc2cccc(c2c3ccc(cc3)F)C(F)(F)F)CO)O)O","InChI=1S/C21H21F4NO6/c1-10(28)26-17-19(30)18(29)15(9-27)32-20(17)31-14-4-2-3-13(21(23,24)25)16(14)11-5-7-12(22)8-6-11/h2-8,15,17-20,27,29-30H,9H2,1H3,(H,26,28)/t15-,17-,18+,19-,20-/m1/s1","","2023-10-30","2024-02-09","4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside","2024-02-14"],["XC9","1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine","C22 H30 Cl2 N10","Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1;Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1;c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl","InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)","","2022-11-11","2023-02-03","N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide]","2023-02-08"],["XCA","(8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid","C27 H42 O3","O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C;C[CH](CCC[CH](C)C(O)=O)[CH]1CC[CH]2[CH]3CC=C4C=C(O)CC[C]4(C)[CH]3CC[C]12C;CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=C4)O)C)C","InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1","(25S)-cholestenoic acid","2011-11-18","2021-03-01","(8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid",""],["XCB","7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C27 H25 Cl N2 O6 S","C[CH](OC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OC(=O)c4ccc(cc4)CN","InChI=1S/C27H25ClN2O6S/c1-15(36-27(33)17-8-6-16(13-29)7-9-17)20-4-3-5-21-23(25(26(31)32)30-24(20)21)18-10-11-19(22(28)12-18)14-37(2,34)35/h3-12,15,30H,13-14,29H2,1-2H3,(H,31,32)/t15-/m0/s1","","2023-06-06","2024-06-21","7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XCC","FE(4)-NI(1)-S(4) CLUSTER","Fe4 Ni S4","[Fe]S[Fe]S[Fe]S[Fe]S[Ni];S1[Fe]2[S]([Fe]3[S]2[Fe]1[S]3[Ni])[Fe]","InChI=1S/4Fe.Ni.4S","C CLUSTER","2002-12-20","2023-09-23","",""],["XCD","3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide","C21 H19 F3 N4 O2","Cc4cc(C(NC(c3c(c(c1c2c(nc1)cc(cc2)C(F)(F)F)cn3)C)=O)C)no4;C[CH](NC(=O)c1[nH]cc(c1C)c2c[nH]c3cc(ccc23)C(F)(F)F)c4cc(C)on4;Cc1cc(no1)C(C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C","InChI=1S/C21H19F3N4O2/c1-10-6-17(28-30-10)12(3)27-20(29)19-11(2)15(8-26-19)16-9-25-18-7-13(21(22,23)24)4-5-14(16)18/h4-9,12,25-26H,1-3H3,(H,27,29)/t12-/m1/s1","","2020-12-10","2021-05-14","3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide","2021-05-19"],["XCE","~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide","C23 H22 Cl2 N6 O2","Clc1cc([NH]c1Cl)C(=O)NC(CCc1ccccc1)C(=O)NC(C)c1cn2cccnc2n1;C[CH](NC(=O)[CH](CCc1ccccc1)NC(=O)c2[nH]c(Cl)c(Cl)c2)c3cn4cccnc4n3;CC(c1cn2cccnc2n1)NC(=O)C(CCc3ccccc3)NC(=O)c4cc(c([nH]4)Cl)Cl","InChI=1S/C23H22Cl2N6O2/c1-14(19-13-31-11-5-10-26-23(31)30-19)27-21(32)17(9-8-15-6-3-2-4-7-15)29-22(33)18-12-16(24)20(25)28-18/h2-7,10-14,17,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t14-,17-/m0/s1","","2023-10-30","2024-03-29","4,5-dichloro-N-[(2S)-1-({(1S)-1-[(4S)-imidazo[1,2-a]pyrimidin-2-yl]ethyl}amino)-1-oxo-4-phenylbutan-2-yl]-1H-pyrrole-2-carboxamide","2024-04-03"],["XCF","5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine","C19 H22 N4 O3","n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c2OC(C=Cc23)C4CC4;COc1cc(Cc2cnc(N)nc2N)c3C=C[CH](Oc3c1OC)C4CC4;COc1cc(c2c(c1OC)OC(C=C2)C3CC3)Cc4cnc(nc4N)N","InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1","","2009-01-22","2011-06-04","5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine",""],["XCG","2-(2-BENZOFURANYL)-2-IMIDAZOLINE","C11 H8 N2 O","n1ccnc1c3oc2ccccc2c3;[nH]1ccnc1c2oc3ccccc3c2;c1ccc2c(c1)cc(o2)c3[nH]ccn3","InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)","","2010-04-23","2011-06-04","2-(1-benzofuran-2-yl)-1H-imidazole",""],["XCH","Droxinostat","C11 H14 Cl N O3","Clc1ccc(c(c1)C)OCCCC(NO)=O;Cc1cc(Cl)ccc1OCCCC(=O)NO;Cc1cc(ccc1OCCCC(=O)NO)Cl","InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)","4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide","2015-06-09","2020-06-17","4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide","2016-06-08"],["XCI","[(2~{S},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid","C10 H15 N2 O6 P Se","CC1=CN([CH]2C[CH](O)[CH](C[Se]P(O)O)O2)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)C2CC(C(O2)C[Se]P(O)O)O","InChI=1S/C10H15N2O6PSe/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-20-19(16)17/h3,6-8,13,16-17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1","","2019-07-05","2019-11-01","[(2~{S},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid","2019-11-06"],["XCJ","N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide","C17 H14 N4 O3 S3","CS(c1ccc2c(c1)sc(n2)NC(Cc3csc(n3)n4cccc4)=O)(=O)=O;C[S](=O)(=O)c1ccc2nc(NC(=O)Cc3csc(n3)n4cccc4)sc2c1;CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4","InChI=1S/C17H14N4O3S3/c1-27(23,24)12-4-5-13-14(9-12)26-16(19-13)20-15(22)8-11-10-25-17(18-11)21-6-2-3-7-21/h2-7,9-10H,8H2,1H3,(H,19,20,22)","","2020-12-11","2021-12-17","N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide","2021-12-22"],["XCK","N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide","C24 H36 N4 O4 S","CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C=N;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=N;CC(C)CC(C(=O)NC(CC1CCNC1=O)C=N)NC(=O)OCC(C)(C)Sc2ccccc2","InChI=1S/C24H36N4O4S/c1-16(2)12-20(22(30)27-18(14-25)13-17-10-11-26-21(17)29)28-23(31)32-15-24(3,4)33-19-8-6-5-7-9-19/h5-9,14,16-18,20,25H,10-13,15H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)/b25-14-/t17-,18-,20-/m0/s1","","2022-11-11","2024-09-27","N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide","2022-11-23"],["XCL","[(1S,4R,6R)-6-HYDROXY-4-(CYTOSIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE","C11 H16 N3 O6 P","O=C1N=C(C=CN1C2C=CC(COP(=O)(O)O)C(O)C2)N;NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2;C1C(C=CC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m0/s1","","2006-05-19","2011-06-04","[(1S,4R,6R)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XCM","3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide","C21 H22 F3 N5 O","Cc4nnc(C(C)NC(c1c(c(cn1)C2(CC2)c3ccc(C(F)(F)F)nc3)C)=O)c4;C[CH](NC(=O)c1[nH]cc(c1C)C2(CC2)c3ccc(nc3)C(F)(F)F)c4cc(C)[nH]n4;Cc1cc(n[nH]1)C(C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C","InChI=1S/C21H22F3N5O/c1-11-8-16(29-28-11)13(3)27-19(30)18-12(2)15(10-26-18)20(6-7-20)14-4-5-17(25-9-14)21(22,23)24/h4-5,8-10,13,26H,6-7H2,1-3H3,(H,27,30)(H,28,29)/t13-/m1/s1","","2020-12-11","2021-05-14","3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide","2021-05-19"],["XCN","S-cyano-L-cysteine","C4 H6 N2 O2 S","O=C(O)C(N)CSC#N;N[CH](CSC#N)C(O)=O;C(C(C(=O)O)N)SC#N","InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1","","2010-09-21","2024-09-27","S-cyano-L-cysteine",""],["XCO","Co-substituted beta-Keggin","Co O39 Si W11","O.O=[W]1234O[Co]567O[W]89(O1)O[W]%10%11(=O)(O2)O[W]%12%13%14(=O)O[W]%15%16(=O)(O8)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21%22(=O)(O3)O[W]%23%24(=O)(O%19)O[W](=O)(O%17)(O%15)(O%12)[O]%16%18[Si]([O]479)([O]%20%21%23)[O]%10%13[W](=O)(O%11)(O%22)(O%24)O%14;O=[W]1234O[Co]567O18[Si]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O]","InChI=1S/Co.O4Si.H2O.34O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1","","2019-06-03","2025-11-11","","2019-09-18"],["XCP","(1S,2S)-2-aminocyclopentanecarboxylic acid","C6 H11 N O2","O=C(O)C1CCCC1N;N[CH]1CCC[CH]1C(O)=O;C1CC(C(C1)N)C(=O)O","InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1","","2008-02-05","2024-09-27","(1S,2S)-2-aminocyclopentanecarboxylic acid",""],["XCQ","7-[(1~{S})-1-(4-azanylbutanoyloxy)ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","C23 H25 Cl N2 O6 S","C[CH](OC(=O)CCCN)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(=O)=O)c(Cl)c3;CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OC(=O)CCCN","InChI=1S/C23H25ClN2O6S/c1-13(32-19(27)7-4-10-25)16-5-3-6-17-20(22(23(28)29)26-21(16)17)14-8-9-15(18(24)11-14)12-33(2,30)31/h3,5-6,8-9,11,13,26H,4,7,10,12,25H2,1-2H3,(H,28,29)/t13-/m0/s1","","2023-06-06","2024-06-21","7-[(1~{S})-1-(4-azanylbutanoyloxy)ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid","2024-06-26"],["XCR","[(1R,4S,6S)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate","C11 H16 N3 O6 P","NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2;C1C(C=CC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m1/s1","","2009-11-20","2011-06-04","[(1R,4S,6S)-4-(4-azanyl-2-oxo-pyrimidin-1-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XCS","(1R)-1-(4-AMINO-6-METHYL-2-OXO-1,2-DIHYDROQUINAZOLIN-8-YL)-1,4-ANHYDRO-2-DEOXY-5-O-PHOSPHONO-D-ERYTHRO-PENTITOL","C14 H18 N3 O7 P","O=C2N=C(N)c1cc(cc(c1N2)C3OC(COP(=O)(O)O)C(O)C3)C;Cc1cc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c3NC(=O)N=C(N)c3c1;Cc1cc(c2c(c1)C(=NC(=O)N2)N)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C14H18N3O7P/c1-6-2-7(12-8(3-6)13(15)17-14(19)16-12)10-4-9(18)11(24-10)5-23-25(20,21)22/h2-3,9-11,18H,4-5H2,1H3,(H2,20,21,22)(H3,15,16,17,19)/t9-,10+,11+/m0/s1","","2006-09-26","2011-06-04","(1R)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol",""],["XCT","4-AMINO-1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)PYRIMIDIN-2(1H)-ONE","C10 H16 N3 O7 P","O=C1N=C(N)C=CN1C2OC(C(O)CC2)COP(=O)(O)O;NC1=NC(=O)N(C=C1)[CH]2CC[CH](O)[CH](CO[P](O)(O)=O)O2;C1CC(OC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N","InChI=1S/C10H16N3O7P/c11-8-3-4-13(10(15)12-8)9-2-1-6(14)7(20-9)5-19-21(16,17)18/h3-4,6-7,9,14H,1-2,5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1","2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL CYTOSINE","2006-06-20","2021-03-13","4-amino-1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)pyrimidin-2(1H)-one",""],["XCU","Cu-substituted alpha-Keggin","Cu O39 P W11","O=[W]123O[Cu]45O[W]67(=O)O[W]89(=O)(O1)O[W]%10%11(=O)(O6)O[W]%12%13%14(=O)O[W]%15(=O)(O4)(O7)O[W]%16%17(=O)(O[W]%18(=O)(O5)(O[P](=[O]8%10)([O]%12%15%16)[O]%19%20[W]%21(=O)(O2)(O9)O[W]%19(=O)(O%18)(O%17)O[W]%20(=O)(O%11)(O%21)O%13)O3)O%14;O=[W]1234O[Cu]56O[W]78(=O)(O1)O2P91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7","InChI=1S/Cu.O4P.35O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;","","2019-05-28","2019-09-13","","2019-09-18"],["XCV","N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide","C21 H19 F3 N6 O","c1(nnc(c1)C(NC(c2c(c(cn2)C4(c3cnc(cc3)C(F)(F)F)CC4)C)=O)C)C#N;C[CH](NC(=O)c1[nH]cc(c1C)C2(CC2)c3ccc(nc3)C(F)(F)F)c4cc([nH]n4)C#N;Cc1c(c[nH]c1C(=O)NC(C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F","InChI=1S/C21H19F3N6O/c1-11-15(20(5-6-20)13-3-4-17(26-9-13)21(22,23)24)10-27-18(11)19(31)28-12(2)16-7-14(8-25)29-30-16/h3-4,7,9-10,12,27H,5-6H2,1-2H3,(H,28,31)(H,29,30)/t12-/m1/s1","","2020-12-11","2021-05-14","N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide","2021-05-19"],["XCW","4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide","C23 H26 Cl2 N4 O4","Clc1cc([NH]c1Cl)C(=O)NC(C1CCCCC1)C(=O)NC1COc2ccccc2N(C)C1=O;CN1C(=O)[CH](COc2ccccc12)NC(=O)[CH](NC(=O)c3[nH]c(Cl)c(Cl)c3)C4CCCCC4;CN1c2ccccc2OCC(C1=O)NC(=O)C(C3CCCCC3)NC(=O)c4cc(c([nH]4)Cl)Cl","InChI=1S/C23H26Cl2N4O4/c1-29-17-9-5-6-10-18(17)33-12-16(23(29)32)27-22(31)19(13-7-3-2-4-8-13)28-21(30)15-11-14(24)20(25)26-15/h5-6,9-11,13,16,19,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,28,30)/t16-,19-/m0/s1","","2023-10-30","2024-03-29","4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide","2024-04-03"],["XCX","2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid","C26 H34 N2 O4","O=C(O)C(Oc1ccc(cc1)CCN(c2nc3ccccc3o2)CCCCCCC)(C)C;CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c2oc3ccccc3n2;CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2","InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)","","2011-04-04","2012-01-06","2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid",""],["XCY","{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO}-2-OXOPYRIMIDIN-1(2H)- YL]-3-HYDROXYTETRAHYDROFURAN-2-YL}METHYL DIHYDROGEN PHOSPHATE","C17 H23 N4 O7 P","O=C2N=C(NCc1ccc(cc1)CN)C=CN2C3OC(C(O)C3)COP(=O)(O)O;NCc1ccc(CNC2=NC(=O)N(C=C2)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)cc1;c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)C3CC(C(O3)COP(=O)(O)O)O","InChI=1S/C17H23N4O7P/c18-8-11-1-3-12(4-2-11)9-19-15-5-6-21(17(23)20-15)16-7-13(22)14(28-16)10-27-29(24,25)26/h1-6,13-14,16,22H,7-10,18H2,(H,19,20,23)(H2,24,25,26)/t13-,14+,16+/m0/s1","","2005-01-04","2011-06-04","N-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)",""],["XCZ","1.7.6 4-methylpyrimidine-2-sulfonamide","C5 H7 N3 O2 S","Cc1ccnc(n1)[S](N)(=O)=O;Cc1ccnc(n1)S(=O)(=O)N","InChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10)","","2015-10-28","2016-02-26","4-methylpyrimidine-2-sulfonamide","2016-03-02"],["XD1","(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid","C8 H14 N2 O3 S","O=C(O)C1NC(SC1(C)C)C(N)C=O;CC1(C)S[CH](N[CH]1C(O)=O)[CH](N)C=O;CC1(C(NC(S1)C(C=O)N)C(=O)O)C","InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1","6-aminopenicillian, bound form","2010-06-08","2024-09-27","(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",""],["XD2","(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid","C18 H20 N6 O5 S2","O=CC(NC(=O)C(O)c1ccccc1)C2SCC(=C(N2)C(=O)O)CSc3nnnn3C;Cn1nnnc1SCC2=C(N[CH](SC2)[CH](NC(=O)[CH](O)c3ccccc3)C=O)C(O)=O;Cn1c(nnn1)SCC2=C(NC(SC2)C(C=O)NC(=O)C(c3ccccc3)O)C(=O)O","InChI=1S/C18H20N6O5S2/c1-24-18(21-22-23-24)31-9-11-8-30-16(20-13(11)17(28)29)12(7-25)19-15(27)14(26)10-5-3-2-4-6-10/h2-7,12,14,16,20,26H,8-9H2,1H3,(H,19,27)(H,28,29)/t12-,14-,16-/m1/s1","Cefamandole, bound form","2010-06-09","2024-09-27","(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid",""],["XD4","[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate","C18 H25 N O2","Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C;Cc1cc(ccc1N)C(=O)OC2CC3CCC2(C3(C)C)C","InChI=1S/C18H25NO2/c1-11-9-12(5-6-14(11)19)16(20)21-15-10-13-7-8-18(15,4)17(13,2)3/h5-6,9,13,15H,7-8,10,19H2,1-4H3/t13-,15-,18+/m1/s1","","2017-08-10","2019-02-15","[(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate","2019-02-20"],["XD5","[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate","C14 H17 N O2","Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3;c1cc(ccc1C(=O)OC2CC3CCC2C3)N","InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1","","2017-08-10","2019-02-15","[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate","2019-02-20"],["XD6","(5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE","C18 H19 Cl O6","O=C1OCCC=C(C=O)CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;Oc1cc(O)c2C(=O)OCCC=C(CCCCC(=O)Cc2c1Cl)C=O;c1c(c2c(c(c1O)Cl)CC(=O)CCCCC(=CCCOC2=O)C=O)O","InChI=1S/C18H19ClO6/c19-17-13-8-12(21)6-2-1-4-11(10-20)5-3-7-25-18(24)16(13)14(22)9-15(17)23/h5,9-10,22-23H,1-4,6-8H2/b11-5-","RESORCYCLIC ACID MACROLACTONE","2010-04-29","2020-06-17","(5Z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-6-carbaldehyde",""],["XD8","(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine","C21 H23 Cl N8 S","N[CH]1c2cccnc2CC13CCN(CC3)c4cnc(Sc5ccnc(N)c5Cl)c(N)n4;c1cc2c(nc1)CC3(C2N)CCN(CC3)c4cnc(c(n4)N)Sc5ccnc(c5Cl)N","InChI=1S/C21H23ClN8S/c22-16-14(3-7-27-18(16)24)31-20-19(25)29-15(11-28-20)30-8-4-21(5-9-30)10-13-12(17(21)23)2-1-6-26-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1","","2023-11-02","2024-08-09","(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine","2024-08-14"],["XD9","(4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID","C12 H14 O5 S","O=C(O)C2(O)c1c(sc(c1)/C=C/C)C(O)C(O)C2;CC=Cc1sc2[CH](O)[CH](O)C[C](O)(C(O)=O)c2c1;CC=Cc1cc2c(s1)C(C(CC2(C(=O)O)O)O)O","InChI=1S/C12H14O5S/c1-2-3-6-4-7-10(18-6)9(14)8(13)5-12(7,17)11(15)16/h2-4,8-9,13-14,17H,5H2,1H3,(H,15,16)/b3-2+/t8-,9+,12-/m1/s1","","2010-04-30","2011-06-04","(4R,6R,7S)-4,6,7-trihydroxy-2-[(1E)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid",""],["XDA","4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate","C20 H28 N3 O8 P","O=P(O)(O)OCCNC(=O)c1ccc(cc1)COC(=O)NC2C=CCCC2C(=O)N(C)C;CN(C)C(=O)[CH]1CCC=C[CH]1NC(=O)OCc2ccc(cc2)C(=O)NCCO[P](O)(O)=O;CN(C)C(=O)C1CCC=CC1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O","InChI=1S/C20H28N3O8P/c1-23(2)19(25)16-5-3-4-6-17(16)22-20(26)30-13-14-7-9-15(10-8-14)18(24)21-11-12-31-32(27,28)29/h4,6-10,16-17H,3,5,11-13H2,1-2H3,(H,21,24)(H,22,26)(H2,27,28,29)/t16-,17+/m0/s1","","2014-01-07","2014-05-30","4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate","2014-06-04"],["XDB","3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide","C25 H28 F4 N6 O3 S2","NS(=O)(=O)c1ccc(SCC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCC(CC3)CSc4ccc(cc4F)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)CSc4ccc(cc4F)S(=O)(=O)N)C(F)(F)F","InChI=1S/C25H28F4N6O3S2/c1-16-31-33-35(32-16)14-19-12-20(25(27,28)29)4-2-18(19)3-7-24(36)34-10-8-17(9-11-34)15-39-23-6-5-21(13-22(23)26)40(30,37)38/h2,4-6,12-13,17H,3,7-11,14-15H2,1H3,(H2,30,37,38)","","2023-06-06","2024-12-13","3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide","2024-12-18"],["XDC","Phosphocreatine","C4 H10 N3 O5 P","N/C(=N/P(=O)(O)O)N(C)CC(=O)O;CN(CC(O)=O)C(N)=N[P](O)(O)=O;CN(CC(=O)O)C(=NP(=O)(O)O)N","InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)","N-methyl-N-(N'-phosphonocarbamimidoyl)glycine","2023-10-30","2026-04-17","N-methyl-N-(N'-phosphonocarbamimidoyl)glycine","2026-04-22"],["XDD","N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine","C14 H19 N7 O3","C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N;N[CH]1CCC[CH]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23;c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3CCCC3N)N","InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1","","2020-12-11","2024-09-27","N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine","2020-12-23"],["XDE","4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol","C9 H13 N O3","Oc1ccc(cc1O)C(O)CNC;CNC[CH](O)c1ccc(O)c(O)c1;CNCC(c1ccc(c(c1)O)O)O","InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1","","2013-03-13","2013-03-15","4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol","2013-03-20"],["XDF","6,8-dimethoxy-2-methylquinolin-4-amine","C12 H14 N2 O2","COc1cc(cc2c(N)cc(C)nc12)OC;COc1cc(OC)c2nc(C)cc(N)c2c1;Cc1cc(c2cc(cc(c2n1)OC)OC)N","InChI=1S/C12H14N2O2/c1-7-4-10(13)9-5-8(15-2)6-11(16-3)12(9)14-7/h4-6H,1-3H3,(H2,13,14)","","2022-11-11","2023-12-08","6,8-dimethoxy-2-methylquinolin-4-amine","2023-12-13"],["XDH","4,4'-propane-2,2-diylbis(2,6-dichlorophenol)","C15 H12 Cl4 O2","Clc1cc(cc(Cl)c1O)C(c2cc(Cl)c(O)c(Cl)c2)(C)C;CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2;CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl","InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3","","2010-09-10","2011-06-04","4,4'-propane-2,2-diylbis(2,6-dichlorophenol)",""],["XDI","4,4'-propane-2,2-diylbis(2,6-dibromophenol)","C15 H12 Br4 O2","Brc1cc(cc(Br)c1O)C(c2cc(Br)c(O)c(Br)c2)(C)C;CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2;CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br","InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3","","2010-09-13","2011-06-04","4,4'-propane-2,2-diylbis(2,6-dibromophenol)",""],["XDJ","N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine","C14 H19 N7 O4","C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O;N[CH]1CCC[CH]1N(CC(O)=O)C(=O)Cn2cnc3C(=O)NC(=Nc23)N;c1nc2c(n1CC(=O)N(CC(=O)O)C3CCCC3N)N=C(NC2=O)N","InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1","","2020-12-11","2024-09-27","N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine","2020-12-23"],["XDK","2-AMINO-4-PYRIDYL-PYRIMIDINE","C9 H8 N4","n2c(c1cnccc1)ccnc2N;Nc1nccc(n1)c2cccnc2;c1cc(cnc1)c2ccnc(n2)N","InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)","","2010-05-04","2011-06-04","4-pyridin-3-ylpyrimidin-2-amine",""],["XDL","XYLOSE-DERIVED ISOFAGOMINE LACTAM","C5 H9 N O2","O=C1NCCCC1O;O[CH]1CCCNC1=O;C1CC(C(=O)NC1)O","InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1","(3S)-3-HYDROXYPIPERIDIN-2-ONE","2003-02-14","2020-06-17","(3S)-3-hydroxypiperidin-2-one",""],["XDM","~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","C17 H19 Cl N2 O2","CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2;CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C","InChI=1S/C17H19ClN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-6-5-7-13(18)8-12/h5-8,20H,4,9H2,1-3H3,(H,19,22)","XDM1","2016-08-13","2021-03-01","~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide","2017-08-16"],["XDN","PIPERIDINE-3,4,5-TRIOL","C5 H11 N O3","OC1CNCC(O)C1O;O[CH]1CNC[CH](O)[CH]1O;C1C(C(C(CN1)O)O)O","InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+","XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN","2000-08-16","2021-03-01","(3R,4r,5S)-piperidine-3,4,5-triol",""],["XDO","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","C27 H30 F6 O3","C[C]1(CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C)C#CC#CC(O)(C(F)(F)F)C(F)(F)F;CC1(CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)C#CC#CC(C(F)(F)F)(C(F)(F)F)O","InChI=1S/C27H30F6O3/c1-17-19(15-20(34)16-22(17)35)9-8-18-7-6-12-24(3)21(18)10-14-23(24,2)11-4-5-13-25(36,26(28,29)30)27(31,32)33/h8-9,20-22,34-36H,1,6-7,10,12,14-16H2,2-3H3/b18-8+,19-9-/t20-,21+,22+,23+,24+/m1/s1","Xe4MeCF3 analog","2023-06-06","2024-06-21","(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol","2024-06-26"],["XDP","D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE","C5 H14 O12 P2","O=P(O)(O)OCC(O)C(O)C(O)(O)COP(=O)(O)O;O[CH](CO[P](O)(O)=O)[CH](O)C(O)(O)CO[P](O)(O)=O;C(C(C(C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O","InChI=1S/C5H14O12P2/c6-3(1-16-18(10,11)12)4(7)5(8,9)2-17-19(13,14)15/h3-4,6-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+/m1/s1","","1999-07-08","2011-06-04","(2R,3S)-2,3,4,4-tetrahydroxy-5-(phosphonooxy)pentyl dihydrogen phosphate (non-preferred name)",""],["XDQ","(2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide","C21 H21 Cl2 F3 N4 O4","C[C](N(C(=O)[CH](F)Cl)c1ccc(OC(F)(F)Cl)cc1)(C(=O)NC2CCOCC2)c3cncnc3;CC(c1cncnc1)(C(=O)NC2CCOCC2)N(c3ccc(cc3)OC(F)(F)Cl)C(=O)C(F)Cl","InChI=1S/C21H21Cl2F3N4O4/c1-20(13-10-27-12-28-11-13,19(32)29-14-6-8-33-9-7-14)30(18(31)17(22)24)15-2-4-16(5-3-15)34-21(23,25)26/h2-5,10-12,14,17H,6-9H2,1H3,(H,29,32)/t17-,20-/m1/s1","","2023-10-27","2025-04-18","(2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide","2025-04-23"],["XDR","hexyl\n(5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c\nyclopenta[e]-as-indacene-6-carboxylate","C32 H29 N3 O5","O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OCCCCCC)C;CCCCCCOC(=O)[C]1(O)C[CH]2O[C]1(C)n3c4ccccc4c5c6C=NC(=O)c6c7c8ccccc8n2c7c35;CCCCCCOC(=O)C1(CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C1(O2)C)c8c5C(=O)N=C8)O","InChI=1S/C32H29N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,17,23,38H,3-5,10,15-16H2,1-2H3/t23-,31+,32+/m1/s1","KT5720","2008-11-12","2020-06-17","hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate",""],["XDS","(5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione","C6 H6 N4 O5","O=C2N=C1N(C(=O)NC1(OO)C(=O)N2)C;CN1C(=O)N[C]2(OO)C(=O)NC(=O)N=C12;CN1C2=NC(=O)NC(=O)C2(NC1=O)OO","InChI=1S/C6H6N4O5/c1-10-2-6(15-14,9-5(10)13)3(11)8-4(12)7-2/h14H,1H3,(H,9,13)(H,8,11,12)/t6-/m0/s1","","2014-04-01","2014-10-24","(5S)-5-hydroperoxy-9-methyl-5,7-dihydro-1H-purine-2,6,8(9H)-trione","2014-10-29"],["XDT","O-methyl-D-allothreonine","C5 H11 N O3","NC(C(=O)O)C(OC)C;CO[CH](C)[CH](N)C(O)=O;CC(C(C(=O)O)N)OC","InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4-/m1/s1","","2013-06-06","2018-01-16","O-methyl-D-allothreonine",""],["XDU","4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol","C13 H7 Cl2 F3 N2 O","Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F;Oc1nc(C=Cc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F;c1cc(c(cc1Cl)Cl)C=Cc2cc(nc(n2)O)C(F)(F)F","InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+","","2022-11-14","2023-10-13","4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol","2023-10-18"],["XDV","2-[2-(2-aminoethoxy)ethoxy]acetamide","C6 H14 N2 O3","NC(COCCOCCN)=O;NCCOCCOCC(N)=O;C(COCCOCC(=O)N)N","InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)","","2020-12-11","2024-09-27","2-[2-(2-aminoethoxy)ethoxy]acetamide","2020-12-23"],["XDX","(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid","C9 H17 O12 P","OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O;OC[CH]1O[CH](O[CH](CO[P](O)(O)=O)C(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OC(COP(=O)(O)O)C(=O)O)O)O)O)O","InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1","(2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid; (2R)-2-(D-glucosyloxy)-3-(phosphonooxy)propanoic acid;\n(2R)-2-(glucosyloxy)-3-(phosphonooxy)propanoic acid","2016-05-10","2020-07-17","(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid","2017-05-24"],["XDY","N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","C14 H20 N4 O5","C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O;CC1=CN(CC(=O)N(CC(O)=O)[CH]2CCC[CH]2N)C(=O)NC1=O;CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)C2CCCC2N","InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1","","2020-12-11","2024-09-27","N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine","2020-12-23"],["XDZ","2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide","C19 H20 Br F3 N2 O2","FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCCC2)c3ccc(Br)cc13;c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F","InChI=1S/C19H20BrF3N2O2/c20-12-7-8-16-14(9-12)15(18(27)19(21,22)23)10-25(16)11-17(26)24-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,24,26)","Epoxykinin","2023-10-30","2024-02-23","2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-~{N}-cycloheptyl-ethanamide","2024-02-28"],["XE","XENON","Xe","[Xe];[Xe];[Xe]","InChI=1S/Xe","","1999-07-21","2011-06-04","xenon",""],["XE0","4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol","C13 H9 Cl2 F3 N2 O","Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F;Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F;c1cc(c(cc1Cl)Cl)CCc2cc(nc(n2)O)C(F)(F)F","InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21)","","2022-11-14","2024-09-27","4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol","2023-10-18"],["XE1","N,N'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid)","H9 N2 O8 P3","N(P(NP(=O)(O)O)(O)O)P(O)(=O)O;O[PH](O)(N[P](O)(O)=O)N[P](O)(O)=O;N(P(NP(=O)(O)O)(O)O)P(=O)(O)O","InChI=1S/H9N2O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h3-4,11H,(H3,1,5,6,7)(H3,2,8,9,10)","","2020-12-14","2021-03-12","N,N'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid)","2021-03-17"],["XE2","(6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde","C15 H10 O3","Oc1ccc2cc(ccc2c1C=O)c1ccco1;Oc1ccc2cc(ccc2c1C=O)c3occc3;c1cc(oc1)c2ccc3c(c2)ccc(c3C=O)O","InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H","","2023-06-06","2024-09-27","(6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde","2023-12-06"],["XE3","2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide","C17 H19 F3 N4 O5 S","Cc1ccc(cc1Nc2occ(n2)C(=O)N[S](=O)(=O)N3CCCOCC3)C(F)(F)F;Cc1ccc(cc1Nc2nc(co2)C(=O)NS(=O)(=O)N3CCCOCC3)C(F)(F)F","InChI=1S/C17H19F3N4O5S/c1-11-3-4-12(17(18,19)20)9-13(11)21-16-22-14(10-29-16)15(25)23-30(26,27)24-5-2-7-28-8-6-24/h3-4,9-10H,2,5-8H2,1H3,(H,21,22)(H,23,25)","","2023-10-31","2023-11-17","2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide","2023-11-22"],["XE4","1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)","C26 H34 O3","OC3C(=C)/C(=CC=C1/CCCC2(C)C(C#CC#CC(O)(C)C)CCC12)CC(O)C3;CC(C)(O)C#CC#C[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C;CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C#CC#CC(C)(C)O","InChI=1S/C26H34O3/c1-18-20(16-22(27)17-24(18)28)11-10-19-8-7-15-26(4)21(12-13-23(19)26)9-5-6-14-25(2,3)29/h10-11,21-24,27-29H,1,7-8,12-13,15-17H2,2-4H3/b19-10+,20-11-/t21-,22+,23-,24-,26+/m0/s1","21-NOR-CALCITRIOL-20(22),23-DIYNE","2006-06-20","2021-03-13","(1R,3S,5Z)-5-{(2E)-2-[(1S,3aS,7aS)-1-(5-hydroxy-5-methylhexa-1,3-diyn-1-yl)-7a-methyloctahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol (non-preferred name)",""],["XE6","4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one","C10 H16 N3 O8 P","O=P(O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(OC)C1O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N;COC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O","InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1","","2022-11-14","2023-09-15","4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one","2023-09-20"],["XE7","3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide","C19 H19 F3 N6 O2","c1cc(C(F)(F)F)ncc1Cc3cnc(C(NC(C)c2cc(nn2)C(N)=O)=O)c3C;C[CH](NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c3cc([nH]n3)C(N)=O;Cc1c(c[nH]c1C(=O)NC(C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F","InChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1","","2020-12-14","2021-05-14","3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide","2021-05-19"],["XE8","5-{[2-tert-butyl-4-(methanesulfonyl)phenoxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","C15 H21 N3 O4 S","CS(=O)(=O)c1ccc(OCC2=NNC(=O)N2C)c(c1)C(C)(C)C;CN1C(=O)NN=C1COc2ccc(cc2C(C)(C)C)[S](C)(=O)=O;CC(C)(C)c1cc(ccc1OCC2=NNC(=O)N2C)S(=O)(=O)C","InChI=1S/C15H21N3O4S/c1-15(2,3)11-8-10(23(5,20)21)6-7-12(11)22-9-13-16-17-14(19)18(13)4/h6-8H,9H2,1-5H3,(H,17,19)","","2023-06-06","2024-12-13","5-{[2-tert-butyl-4-(methanesulfonyl)phenoxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2024-12-18"],["XE9","[3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine","C20 H21 Cl N4","NCc1cccc(c1)c2ccc3nc(N4CCNCC4)c(Cl)cc3c2;c1cc(cc(c1)c2ccc3c(c2)cc(c(n3)N4CCNCC4)Cl)CN","InChI=1S/C20H21ClN4/c21-18-12-17-11-16(15-3-1-2-14(10-15)13-22)4-5-19(17)24-20(18)25-8-6-23-7-9-25/h1-5,10-12,23H,6-9,13,22H2","","2023-10-31","2024-11-01","[3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine","2024-11-06"],["XEA","(3R)-1,2-oxazolidine-3-carbonitrile","C4 H6 N2 O","N#CC1NOCC1;N#C[CH]1CCON1;C1CONC1C#N","InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2","","2020-12-14","2021-06-18","(3R)-1,2-oxazolidine-3-carbonitrile","2021-06-23"],["XEB","7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine","C18 H18 Cl N3 O","CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl;CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N","InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)","","2015-08-21","2015-10-23","7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine","2015-10-28"],["XEC","1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione","C10 H15 N2 O9 P","O=P(O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(OC)C1O;CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O;COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O","InChI=1S/C10H15N2O9P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1","","2022-11-14","2023-04-07","1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione","2023-04-12"],["XED","DEXTROFLOXACINE","C18 H20 F N3 O4","Fc4cc1c2N(C=C(C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C;C[CH]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O;CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O","InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1","","2005-03-15","2011-06-04","(3R)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid",""],["XEE","6-(4-acetylpiperazin-1-yl)-3-({1-[(3,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methyl)quinazolin-4(3H)-one","C24 H23 Cl2 N7 O2","CC(=O)N1CCN(CC1)c1ccc2N=CN(Cc3cn(Cc4cc(Cl)c(Cl)cc4)nn3)C(=O)c2c1;CC(=O)N1CCN(CC1)c2ccc3N=CN(Cc4cn(Cc5ccc(Cl)c(Cl)c5)nn4)C(=O)c3c2;CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3)Cc4cn(nn4)Cc5ccc(c(c5)Cl)Cl","InChI=1S/C24H23Cl2N7O2/c1-16(34)30-6-8-31(9-7-30)19-3-5-23-20(11-19)24(35)32(15-27-23)13-18-14-33(29-28-18)12-17-2-4-21(25)22(26)10-17/h2-5,10-11,14-15H,6-9,12-13H2,1H3","","2023-06-06","2024-12-13","6-(4-acetylpiperazin-1-yl)-3-({1-[(3,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methyl)quinazolin-4(3H)-one","2024-12-18"],["XEF","Ziprasidone","C21 H21 Cl N4 O S","Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45;c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5","InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)","5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one","2023-10-31","2024-11-11","5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one","2024-08-07"],["XEG","(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate","C22 H18 O10","O=C(OC2Cc3c(OC2c1ccc(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4;Oc1cc(O)c2C[CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](Oc2c1)c4ccc(O)c(O)c4;c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O","InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1","","2011-02-08","2011-07-29","(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate",""],["XEH","(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine","C13 H10 Cl F N2","Clc1ccc(/C=N/Nc2ccc(F)cc2)cc1;Fc1ccc(NN=Cc2ccc(Cl)cc2)cc1;c1cc(ccc1C=NNc2ccc(cc2)F)Cl","InChI=1S/C13H10ClFN2/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-9,17H/b16-9+","","2022-11-14","2023-01-27","(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine","2023-02-01"],["XEI","5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile","C18 H20 N2 O2","O=C1NC=CC=C1COc1cc(C)c(C#N)cc1C(C)(C)C;Cc1cc(OCC2=CC=CNC2=O)c(cc1C#N)C(C)(C)C;Cc1cc(c(cc1C#N)C(C)(C)C)OCC2=CC=CNC2=O","InChI=1S/C18H20N2O2/c1-12-8-16(15(18(2,3)4)9-14(12)10-19)22-11-13-6-5-7-20-17(13)21/h5-9H,11H2,1-4H3,(H,20,21)","","2023-06-06","2024-12-13","5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile","2024-12-18"],["XEJ","(3R)-3-aminobutanamide","C4 H10 N2 O","CC(N)CC(N)=O;C[CH](N)CC(N)=O;CC(CC(=O)N)N","InChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1","","2020-12-14","2021-06-18","(3R)-3-aminobutanamide","2021-06-23"],["XEK","(5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione","C28 H19 Cl2 F N4 O4","O=C1NC(=O)N(C)C=C1C=1C=C(c2cc(OCc3ccccc3Cl)c(F)c(Cl)c2)C(=O)N(C=1)c1cccnc1;CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c5cccnc5;CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)c3cc(c(c(c3)Cl)F)OCc4ccccc4Cl)c5cccnc5","InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)","","2023-10-31","2024-05-10","(5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione","2024-05-15"],["XEL","(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine","C13 H10 Cl F N2","Clc1ccc(/C=N/Nc2cccc(F)c2)cc1;Fc1cccc(NN=Cc2ccc(Cl)cc2)c1;c1cc(cc(c1)F)NN=Cc2ccc(cc2)Cl","InChI=1S/C13H10ClFN2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H","","2022-11-14","2023-01-27","(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine","2023-02-01"],["XEM","1-nitrosopropane","C3 H7 N O","CCCN=O;CCCN=O;CCCN=O","InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3","","2020-12-14","2023-01-06","1-nitrosopropane","2023-01-11"],["XEN","1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide","C10 H18 N2 O","CCCCN1C=C(CCC1)C(=O)N;CCCCN1CCCC(=C1)C(N)=O;CCCCN1CCCC(=C1)C(=O)N","InChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13)","","2015-07-21","2016-01-15","1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide","2016-01-20"],["XEO","2-{6-chloro-3-[4-(3-methylpyridin-2-yl)piperazine-1-carbonyl]-1H-indol-1-yl}-N,N-dimethylacetamide","C23 H26 Cl N5 O2","O=C(c1cn(CC(=O)N(C)C)c2cc(Cl)ccc21)N1CCN(CC1)c1ncccc1C;CN(C)C(=O)Cn1cc(C(=O)N2CCN(CC2)c3ncccc3C)c4ccc(Cl)cc14;Cc1cccnc1N2CCN(CC2)C(=O)c3cn(c4c3ccc(c4)Cl)CC(=O)N(C)C","InChI=1S/C23H26ClN5O2/c1-16-5-4-8-25-22(16)27-9-11-28(12-10-27)23(31)19-14-29(15-21(30)26(2)3)20-13-17(24)6-7-18(19)20/h4-8,13-14H,9-12,15H2,1-3H3","","2023-06-06","2024-12-13","2-{6-chloro-3-[4-(3-methylpyridin-2-yl)piperazine-1-carbonyl]-1H-indol-1-yl}-N,N-dimethylacetamide","2024-12-18"],["XEP","2-nitrosopropane","C3 H7 N O","CC(N=O)C;CC(C)N=O;CC(C)N=O","InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3","","2020-12-14","2023-11-03","2-nitrosopropane","2023-11-08"],["XEQ","(3~{S},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11~{b}-hexahydrobenzo[a]quinolizin-2-one","C19 H27 N O3","COc1cc2CCN3C[CH](CC(C)C)C(=O)C[CH]3c2cc1OC;CC(C)CC1CN2CCc3cc(c(cc3C2CC1=O)OC)OC","InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16+/m0/s1","","2023-10-31","2024-09-20","(3~{S},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11~{b}-hexahydrobenzo[a]quinolizin-2-one","2024-09-25"],["XER","3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid","C7 H2 Cl F O2 S2","Fc1cc2sc(c(Cl)c2s1)C(=O)O;OC(=O)c1sc2cc(F)sc2c1Cl;c1c2c(c(c(s2)C(=O)O)Cl)sc1F","InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11)","","2022-11-14","2023-06-30","3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid","2023-07-05"],["XES","{(1R,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid","C16 H16 N4 O5","C(C1CCCC1C(C(O)=O)C(O)=O)(c2ccc(cc2)c3nnnn3)=O;OC(=O)C([CH]1CCC[CH]1C(=O)c2ccc(cc2)c3[nH]nnn3)C(O)=O;c1cc(ccc1c2[nH]nnn2)C(=O)C3CCCC3C(C(=O)O)C(=O)O","InChI=1S/C16H16N4O5/c21-13(8-4-6-9(7-5-8)14-17-19-20-18-14)11-3-1-2-10(11)12(15(22)23)16(24)25/h4-7,10-12H,1-3H2,(H,22,23)(H,24,25)(H,17,18,19,20)/t10-,11-/m1/s1","","2020-12-15","2021-10-22","{(1R,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid","2021-10-27"],["XET","[6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone","C22 H26 F3 N5 O4 S","O=S(C)(=O)N1CC2(CCN2C(=O)c2cnc(NCc3cc(cc(OC(F)(F)F)c3)C(C)C)nc2)C1;CC(C)c1cc(CNc2ncc(cn2)C(=O)N3CCC34CN(C4)[S](C)(=O)=O)cc(OC(F)(F)F)c1;CC(C)c1cc(cc(c1)OC(F)(F)F)CNc2ncc(cn2)C(=O)N3CCC34CN(C4)S(=O)(=O)C","InChI=1S/C22H26F3N5O4S/c1-14(2)16-6-15(7-18(8-16)34-22(23,24)25)9-26-20-27-10-17(11-28-20)19(31)30-5-4-21(30)12-29(13-21)35(3,32)33/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3,(H,26,27,28)","","2023-06-06","2024-12-13","[6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone","2024-12-18"],["XEV","3-(3-methoxyphenyl)benzoic acid","C14 H12 O3","COc1cccc(c1)c2cccc(c2)C(O)=O;COc1cccc(c1)c2cccc(c2)C(=O)O","InChI=1S/C14H12O3/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)","","2017-07-27","2018-01-05","3-(3-methoxyphenyl)benzoic acid","2018-01-10"],["XEW","N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide","C11 H16 Cl N5","Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1;CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1;CC(C)NC(=N)NC(=N)Nc1ccc(cc1)Cl","InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)","","2022-11-14","2023-01-27","N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide","2023-02-01"],["XEX","(3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide","C23 H26 Br F2 N3 O4","Brc1cccc(c1)C(CC(=O)NC)NC(=O)COc1c(cccc1CN1CC(F)(F)C1)OC;CNC(=O)C[CH](NC(=O)COc1c(CN2CC(F)(F)C2)cccc1OC)c3cccc(Br)c3;CNC(=O)CC(c1cccc(c1)Br)NC(=O)COc2c(cccc2OC)CN3CC(C3)(F)F","InChI=1S/C23H26BrF2N3O4/c1-27-20(30)10-18(15-5-3-7-17(24)9-15)28-21(31)12-33-22-16(6-4-8-19(22)32-2)11-29-13-23(25,26)14-29/h3-9,18H,10-14H2,1-2H3,(H,27,30)(H,28,31)","","2023-06-06","2024-12-13","(3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide","2024-12-18"],["XEY","2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile","C23 H13 Cl2 N3 O","c1(cc(cc(c1)C4=CC(c2ccccc2C#N)=CN(c3cccnc3)C4=O)Cl)Cl;Clc1cc(Cl)cc(c1)C2=CC(=CN(c3cccnc3)C2=O)c4ccccc4C#N;c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4","InChI=1S/C23H13Cl2N3O/c24-18-8-16(9-19(25)11-18)22-10-17(21-6-2-1-4-15(21)12-26)14-28(23(22)29)20-5-3-7-27-13-20/h1-11,13-14H","","2020-12-15","2021-02-26","2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile","2021-03-03"],["XEZ","6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE","C12 H9 N7","n2c3n(c(c1nncc1)c2)cc(nc3)c4cnnc4;[nH]1ccc(n1)c2cnc3cnc(cn23)c4c[nH]nc4;c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4","InChI=1S/C12H9N7/c1-2-15-18-9(1)11-5-14-12-6-13-10(7-19(11)12)8-3-16-17-4-8/h1-7H,(H,15,18)(H,16,17)","","2010-05-19","2011-06-04","3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine",""],["XF0","2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide","C12 H16 Br N O2","CCCNC(=O)COc1ccc(Br)c(C)c1;CCCNC(=O)COc1ccc(c(c1)C)Br","InChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)","","2023-10-31","2024-09-06","2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide","2024-09-11"],["XF1","2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile","C26 H20 Cl N3 O2","C2=C(c1c(C#N)cccc1)C=C(C(=O)N2c3cccnc3)c4cc(cc(OCCC)c4)Cl;CCCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N;CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N","InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3","","2020-12-15","2021-02-26","2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile","2021-03-03"],["XF2","(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide","C8 H9 Cl N4","Clc1ccc(/C=N/NC(=N)N)cc1;NC(=N)NN=Cc1ccc(Cl)cc1;c1cc(ccc1C=NNC(=N)N)Cl","InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+","","2022-11-14","2023-01-27","(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide","2023-02-01"],["XF3","1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]piperidine-4-sulfonamide","C27 H37 N5 O6 S","NS(=O)(=O)C1CCN(CC1)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;N[S](=O)(=O)C1CCN(CC1)C(=O)N2CC3=C(C2)CN(C3)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CN(C5)C(=O)N6CCC(CC6)S(=O)(=O)N","InChI=1S/C27H37N5O6S/c28-39(35,36)23-3-7-30(8-4-23)27(34)32-15-21-13-31(14-22(21)16-32)26(33)20-11-24(19-1-2-19)29-25(12-20)38-17-18-5-9-37-10-6-18/h11-12,18-19,23H,1-10,13-17H2,(H2,28,35,36)","","2023-06-06","2024-12-13","1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]piperidine-4-sulfonamide","2024-12-18"],["XF4","(5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione","C27 H19 Cl N4 O4","C2(N(c1cnccc1)C=C(C=C2c3cc(cc(c3)OCc4ccccc4)Cl)C=5C(=O)NC(NC=5)=O)=O;Clc1cc(OCc2ccccc2)cc(c1)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O","InChI=1S/C27H19ClN4O4/c28-20-9-18(10-22(12-20)36-16-17-5-2-1-3-6-17)23-11-19(24-14-30-27(35)31-25(24)33)15-32(26(23)34)21-7-4-8-29-13-21/h1-15H,16H2,(H2,30,31,33,35)","","2020-12-15","2021-02-26","5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(1H,3H)-dione","2021-03-03"],["XF5","4-(PIPERAZIN-1-YL)-1H-INDOLE","C12 H15 N3","c2c1c(cccc1nc2)N3CCNCC3;C1CN(CCN1)c2cccc3[nH]ccc23;c1cc2c(cc[nH]2)c(c1)N3CCNCC3","InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2","","2013-03-01","2014-09-05","4-(piperazin-1-yl)-1H-indole","2013-04-03"],["XF6","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","C40 H46 N12 O17 P2 S","Cc1nnc(NC(=O)c2ccc(CCC(=O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C4=NC(=O)NC(=O)C43)cc2)s1;Cc1sc(NC(=O)c2ccc(CCC(=O)N3[CH]4C(=O)NC(=O)N=C4N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)c8cc(C)c(C)cc38)cc2)nn1;Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)CCc7ccc(cc7)C(=O)Nc8nnc(s8)C","InChI=1S/C40H46N12O17P2S/c1-17-10-22-23(11-18(17)2)52(27(55)9-6-20-4-7-21(8-5-20)36(59)47-40-49-48-19(3)72-40)29-35(45-39(61)46-37(29)60)50(22)12-24(53)30(56)25(54)13-66-70(62,63)69-71(64,65)67-14-26-31(57)32(58)38(68-26)51-16-44-28-33(41)42-15-43-34(28)51/h4-5,7-8,10-11,15-16,24-26,29-32,38,53-54,56-58H,6,9,12-14H2,1-3H3,(H,62,63)(H,64,65)(H2,41,42,43)(H,46,60,61)(H,47,49,59)/t24-,25+,26+,29?,30-,31+,32+,38+/m0/s1","","2023-10-31","2024-08-02","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)","2024-08-07"],["XF7","(5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione","C27 H18 Cl2 N4 O4","C2(N(c1cnccc1)C=C(C=C2c3cc(cc(c3)OCc4ccccc4Cl)Cl)C=5C(=O)NC(=O)NC=5)=O;Clc1cc(OCc2ccccc2Cl)cc(c1)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O;c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl","InChI=1S/C27H18Cl2N4O4/c28-19-8-17(9-21(11-19)37-15-16-4-1-2-6-24(16)29)22-10-18(23-13-31-27(36)32-25(23)34)14-33(26(22)35)20-5-3-7-30-12-20/h1-14H,15H2,(H2,31,32,34,36)","","2020-12-15","2021-02-26","5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(1H,3H)-dione","2021-03-03"],["XF8","(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C28 H42 N4 O9 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)(C(=O)NC1CC1)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[C](O)(C(=O)NC3CC3)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC2CC2)(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc3ccccc3","InChI=1S/C28H42N4O9S2/c1-17(2)14-21(31-26(36)41-16-27(3,4)42-20-8-6-5-7-9-20)24(34)32-22(15-18-12-13-29-23(18)33)28(37,43(38,39)40)25(35)30-19-10-11-19/h5-9,17-19,21-22,37H,10-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,36)(H,32,34)(H,38,39,40)/t18-,21-,22-,28-/m0/s1","","2022-11-14","2024-09-27","(2S,3S)-1-(cyclopropylamino)-2-hydroxy-3-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butane-2-sulfonic acid","2022-11-23"],["XF9","[3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate","C24 H26 Cl N5 O5 S","CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1;C[S](=O)(=O)c1cc(Cl)cc(COC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)c4ccc5[nH]nnc5c4)c1;CS(=O)(=O)c1cc(cc(c1)Cl)COC(=O)N2CCC3CN(CC3CC2)C(=O)c4ccc5c(c4)nn[nH]5","InChI=1S/C24H26ClN5O5S/c1-36(33,34)20-9-15(8-19(25)11-20)14-35-24(32)29-6-4-17-12-30(13-18(17)5-7-29)23(31)16-2-3-21-22(10-16)27-28-26-21/h2-3,8-11,17-18H,4-7,12-14H2,1H3,(H,26,27,28)","","2023-06-06","2024-12-13","[3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate","2024-12-18"],["XFA","2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-N-(1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide","C28 H31 Cl2 N5 O3","c1cc(Cl)cc(c1Oc2ccc(cc2)Cl)N(CC(=O)NCCNC)CC(N(N3Cc4c(C3)cccc4)C)=O;CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(Cl)ccc3Oc4ccc(Cl)cc4;CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl","InChI=1S/C28H31Cl2N5O3/c1-31-13-14-32-27(36)18-34(19-28(37)33(2)35-16-20-5-3-4-6-21(20)17-35)25-15-23(30)9-12-26(25)38-24-10-7-22(29)8-11-24/h3-12,15,31H,13-14,16-19H2,1-2H3,(H,32,36)","","2015-04-01","2015-11-20","2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-N-(1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide","2015-11-25"],["XFB","SKI-O-592","C25 H27 N7 O3","Cn1cc(C(=O)C2CC2)c3cc(Nc4nccc(n4)n5cc(CN6C[CH](O)CO6)c(C)n5)ccc13;Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6CC(CO6)O","InChI=1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1","cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4S)-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone","2023-11-01","2024-11-01","cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4~{S})-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone","2024-11-06"],["XFC","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde","C10 H13 F N3 O8 P","P(O)(O)(=O)OCC2OC(N1C=C(C(=NC1=O)N)C=O)C(C2O)F;NC1=NC(=O)N(C=C1C=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F;C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)F)N)C=O","InChI=1S/C10H13FN3O8P/c11-6-7(16)5(3-21-23(18,19)20)22-9(6)14-1-4(2-15)8(12)13-10(14)17/h1-2,5-7,9,16H,3H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7-,9-/m1/s1","","2016-09-28","2016-11-04","4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde","2016-11-09"],["XFD","2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile","C27 H20 Cl N3 O2","c1(c(cccc1)C#N)C5=CN(c2cnccc2)C(C(c3cc(cc(c3)OCC4CC4)Cl)=C5)=O;Clc1cc(OCC2CC2)cc(c1)C3=CC(=CN(C3=O)c4cccnc4)c5ccccc5C#N;c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5","InChI=1S/C27H20ClN3O2/c28-22-10-20(11-24(13-22)33-17-18-7-8-18)26-12-21(25-6-2-1-4-19(25)14-29)16-31(27(26)32)23-5-3-9-30-15-23/h1-6,9-13,15-16,18H,7-8,17H2","","2020-12-15","2021-02-26","2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile","2021-03-03"],["XFE","(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine","C11 H15 N5","n1cnc(c2c(cnc12)C)N3CCC(N)C3;Cc1c[nH]c2ncnc(N3CC[CH](N)C3)c12;Cc1c[nH]c2c1c(ncn2)N3CCC(C3)N","InChI=1S/C11H15N5/c1-7-4-13-10-9(7)11(15-6-14-10)16-3-2-8(12)5-16/h4,6,8H,2-3,5,12H2,1H3,(H,13,14,15)/t8-/m1/s1","","2010-05-07","2011-06-04","(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine",""],["XFF","(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate","C24 H37 N3 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2ccccc2","InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22-/m0/s1","","2022-11-14","2024-09-27","(1S,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-11-23"],["XFG","3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron","C8 H18 B N2 O5","N1CC(C(C1C(O)=O)CCC[B-](O)(O)O)N;N[CH]1CN[CH]([CH]1CCC[B-](O)(O)O)C(O)=O;[B-](CCCC1C(CNC1C(=O)O)N)(O)(O)O","InChI=1S/C8H18BN2O5/c10-6-4-11-7(8(12)13)5(6)2-1-3-9(14,15)16/h5-7,11,14-16H,1-4,10H2,(H,12,13)/q-1/t5-,6+,7+/m1/s1","","2020-12-16","2021-09-24","{3-[(2S,3R,4R)-4-amino-2-carboxypyrrolidin-3-yl]propyl}(trihydroxy)borate(1-)","2021-09-29"],["XFH","6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine","C22 H26 N4","n1c(cc(cc1N)CCc2cccc(c2)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1;Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C","InChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25)","","2010-05-27","2011-06-04","6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine",""],["XFI","N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE","C33 H42 N4 O5 S","O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c3cccc(N(c2ccccc2)S(=O)(=O)C)c3)Cc4ccccc4)C;C[CH](NC[CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)N(c3ccccc3)[S](C)(=O)=O)C(=O)NC4CCCCC4;CC(C(=O)NC1CCCCC1)NCC(C(Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O","InChI=1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1","","2010-05-24","2011-06-04","N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-[(methylsulfonyl)(phenyl)amino]benzamide",""],["XFJ","6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)","C21 H25 N5","n1c(N)cc(cc1CCc2cc(cnc2)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C","InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26)","","2010-05-27","2011-06-04","6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)",""],["XFK","6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine","C21 H25 N5","n1c(cc(cc1N)CCc2cc(cnc2)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C","InChI=1S/C21H25N5/c1-14-7-19(26-20(22)8-14)6-5-18-10-17(12-24-13-18)4-3-16-9-15(2)25-21(23)11-16/h7-13H,3-6H2,1-2H3,(H2,22,26)(H2,23,25)","","2010-05-27","2011-06-04","6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine",""],["XFL","6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)","C21 H25 N5","n1c(N)cc(cc1CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)n2)c1;Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C","InChI=1S/C21H25N5/c1-14-10-18(25-20(22)12-14)8-6-16-4-3-5-17(24-16)7-9-19-11-15(2)13-21(23)26-19/h3-5,10-13H,6-9H2,1-2H3,(H2,22,25)(H2,23,26)","","2010-05-27","2011-06-04","6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)",""],["XFM","6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine","C21 H25 N5","n1c(cc(cc1N)CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1;Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C","InChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24)","","2010-05-27","2011-06-04","6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine",""],["XFN","6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)","C22 H27 N5","n1c(N)cc(cc1CCc2cc(cc(N)c2)CCc3nc(N)cc(c3)C)C;Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1;Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C","InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27)","","2010-05-27","2011-06-04","6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)",""],["XFO","1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide","C28 H38 N4 O6 S","NS(=O)(=O)C1CCN(CC1)C(=O)C1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1;N[S](=O)(=O)C1CCN(CC1)C(=O)C2CC3=C(C2)CN(C3)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6;c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CC(C5)C(=O)N6CCC(CC6)S(=O)(=O)N","InChI=1S/C28H38N4O6S/c29-39(35,36)24-3-7-31(8-4-24)27(33)20-11-22-15-32(16-23(22)12-20)28(34)21-13-25(19-1-2-19)30-26(14-21)38-17-18-5-9-37-10-6-18/h13-14,18-20,24H,1-12,15-17H2,(H2,29,35,36)","","2023-06-06","2024-12-13","1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide","2024-12-18"],["XFP","3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide","C9 H19 B N O5","OC(C1C(CCCN1)CCC[B-](O)(O)O)=O;OC(=O)[CH]1NCCC[CH]1CCC[B-](O)(O)O;[B-](CCCC1CCCNC1C(=O)O)(O)(O)O","InChI=1S/C9H19BNO5/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14,15)16/h7-8,11,14-16H,1-6H2,(H,12,13)/q-1/t7-,8+/m1/s1","","2020-12-16","2021-09-24","{3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl}(trihydroxy)borate(1-)","2021-09-29"],["XFQ","furanodienone","C15 H18 O2","CC1=CC(=O)c2c(C)coc2CC(=CCC1)C;Cc1coc2c1C(=O)C=C(CCC=C(C2)C)C","InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3","3,6,10-trimethyl-8,11-dihydro-7~{H}-cyclodeca[b]furan-4-one","2023-11-01","2025-04-11","3,6,10-trimethyl-8,11-dihydro-7~{H}-cyclodeca[b]furan-4-one","2025-04-16"],["XFR","(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","C24 H37 N3 O8 S2","CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O;CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2ccccc2","InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22+/m0/s1","","2022-11-14","2024-09-27","(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid","2022-11-23"],["XFS","3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid","C20 H14 O5","c1(cc(ccc1)C(O)=O)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3;Cc1ccc2oc(C#Cc3cccc(c3)C(O)=O)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O","InChI=1S/C20H14O5/c1-12-5-7-17-15(9-12)16(11-19(21)22)18(25-17)8-6-13-3-2-4-14(10-13)20(23)24/h2-5,7,9-10H,11H2,1H3,(H,21,22)(H,23,24)","","2020-12-16","2021-12-17","3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid","2021-12-22"],["XFT","N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide","C27 H30 Cl2 N6 O3","O=C(NC1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1;Clc1ccc(CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)NC5CCCC5)cc1Cl;c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)NC5CCCC5)Cl)Cl","InChI=1S/C27H30Cl2N6O3/c28-22-7-5-18(13-23(22)29)15-30-25(36)16-35-17-31-24-8-6-20(14-21(24)26(35)37)33-9-11-34(12-10-33)27(38)32-19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,36)(H,32,38)","","2023-06-06","2024-12-13","N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide","2024-12-18"],["XFU","5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one","C25 H24 F4 N4 O","Fc1cccc(CN2CCC3=C(C2)C(=O)N(Cc4ccc(cc4)C(F)(F)F)C5=NCCCN35)c1;c1cc(cc(c1)F)CN2CCC3=C(C2)C(=O)N(C4=NCCCN34)Cc5ccc(cc5)C(F)(F)F","InChI=1S/C25H24F4N4O/c26-20-4-1-3-18(13-20)14-31-12-9-22-21(16-31)23(34)33(24-30-10-2-11-32(22)24)15-17-5-7-19(8-6-17)25(27,28)29/h1,3-8,13H,2,9-12,14-16H2","","2023-11-01","2024-10-18","5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one","2024-10-23"],["XFV","1lambda~6~-thietane-1,1-dione","C3 H6 O2 S","O=S1(CCC1)=O;O=[S]1(=O)CCC1;C1CS(=O)(=O)C1","InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2","","2020-12-16","2021-06-18","1lambda~6~-thietane-1,1-dione","2021-06-23"],["XFW","(2S)-2,5,5-tris(azanyl)pentanoic acid","C5 H13 N3 O2","O=C(O)C(N)CCC(N)N;NC(N)CC[CH](N)C(O)=O;C(CC(N)N)C(C(=O)O)N","InChI=1S/C5H13N3O2/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2,6-8H2,(H,9,10)/t3-/m0/s1","","2013-05-03","2024-09-27","5-amino-L-ornithine","2014-09-17"],["XFY","(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine","C17 H15 N5 O2","COc1cc(cc(OC)c1)Nc1nc2ccccc2n2cnnc12;COc1cc(Nc2nc3ccccc3n4cnnc24)cc(OC)c1;COc1cc(cc(c1)OC)Nc2c3nncn3c4ccccc4n2","InChI=1S/C17H15N5O2/c1-23-12-7-11(8-13(9-12)24-2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20)","","2023-06-06","2024-12-13","(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine","2024-12-18"],["XFZ","Bis-1,3-phenyl guanylhydrazon","C10 H14 N8","NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1;c1cc(cc(c1)C=NN=C(N)N)C=NN=C(N)N","InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+","2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine","2023-11-01","2024-03-22","2-[(~{E})-[3-[(~{E})-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine","2024-03-27"],["XG0","4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one","C22 H24 Cl N3 O","Clc1ccc(cc1)CC1=NN(C(=O)c2ccccc21)C1CCCN(C)CC1;CN1CCC[CH](CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O;CN1CCCC(CC1)N2C(=O)c3ccccc3C(=N2)Cc4ccc(cc4)Cl","InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-/m0/s1","","2022-11-15","2023-02-03","4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one","2023-02-08"],["XG1","2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine","C14 H16 N4","n2c3c(c1cn(nc1c2N)CCCC)cccc3;CCCCn1cc2c3ccccc3nc(N)c2n1;CCCCn1cc2c3ccccc3nc(c2n1)N","InChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16)","","2014-05-19","2014-10-17","2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine","2014-10-22"],["XG2","3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole","C15 H19 Cl N2 O","CC(C)(C)c1cc(Cl)c(C)cc1OCc1cc[NH]n1;Cc1cc(OCc2cc[nH]n2)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)OCc2cc[nH]n2","InChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)","","2023-06-06","2024-12-13","3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole","2024-12-18"],["XG3","N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea","C14 H9 Cl2 F3 N2 O2","Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F;Oc1ccc(Cl)cc1NC(=O)Nc2cc(ccc2Cl)C(F)(F)F;c1cc(c(cc1C(F)(F)F)NC(=O)Nc2cc(ccc2O)Cl)Cl","InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)","","2023-11-01","2024-02-16","N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea","2024-02-21"],["XG4","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine","C10 H17 N6 O12 P3","O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)O3;c1nc2c(n1C3CC(C(O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N","InChI=1S/C10H17N6O12P3/c11-10-13-8-7(9(18)14-10)12-3-16(8)6-1-4(17)5(27-6)2-26-29(19,20)15-30(21,22)28-31(23,24)25/h3-6,17H,1-2H2,(H2,23,24,25)(H3,11,13,14,18)(H3,15,19,20,21,22)/t4-,5+,6+/m0/s1","","2010-06-21","2011-06-04","2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine",""],["XG5","(2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","C20 H26 N8 O6","[O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCc1cncc(CCN2CC(O)C(O)C(O)C2CO)n1;OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCc2cncc(CCNc3ccc(cc3[N+]([O-])=O)N=[N+]=[N-])n2;c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCc2cncc(n2)CCN3CC(C(C(C3CO)O)O)O","InChI=1S/C20H26N8O6/c21-26-25-12-1-2-15(16(7-12)28(33)34)23-5-3-13-8-22-9-14(24-13)4-6-27-10-18(30)20(32)19(31)17(27)11-29/h1-2,7-9,17-20,23,29-32H,3-6,10-11H2/t17-,18+,19-,20-/m1/s1","","2022-11-15","2023-02-17","(2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","2023-02-22"],["XG6","[4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate","C22 H22 F3 N5 O5","FC(F)(F)Oc1ccc(cc1)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1;OC1(CCN(CC1)C(=O)OCc2ccc(OC(F)(F)F)cc2)CNC(=O)c3ccc4[nH]nnc4c3;c1cc(ccc1COC(=O)N2CCC(CC2)(CNC(=O)c3ccc4c(c3)nn[nH]4)O)OC(F)(F)F","InChI=1S/C22H22F3N5O5/c23-22(24,25)35-16-4-1-14(2-5-16)12-34-20(32)30-9-7-21(33,8-10-30)13-26-19(31)15-3-6-17-18(11-15)28-29-27-17/h1-6,11,33H,7-10,12-13H2,(H,26,31)(H,27,28,29)","","2023-06-06","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate","2024-12-18"],["XG7","3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide","C18 H18 N4 O2","CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3;CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)c3cccc(c3)N","InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23)","3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide","2023-11-01","2024-03-01","3-azanyl-~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide","2024-03-06"],["XG8","N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide","C13 H14 N2 O3 S3","SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1;N[CH](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2;c1cc(cc(c1)S(=O)(=O)NC(=O)C(CS)N)c2cccs2","InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1","","2022-11-15","2022-12-02","N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide","2022-12-07"],["XG9","4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine","C16 H19 Cl N2 O","CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccncn1;Cc1cc(OCc2ccncn2)c(cc1Cl)C(C)(C)C;Cc1cc(c(cc1Cl)C(C)(C)C)OCc2ccncn2","InChI=1S/C16H19ClN2O/c1-11-7-15(13(8-14(11)17)16(2,3)4)20-9-12-5-6-18-10-19-12/h5-8,10H,9H2,1-4H3","","2023-06-06","2024-12-13","4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine","2024-12-18"],["XGA","6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","C14 H16 N5 O7 P","O=C2c3cc1ncn(c1cc3N=C(N)N2)C4OC(C(O)C4)COP(=O)(O)O;NC1=Nc2cc3n(cnc3cc2C(=O)N1)[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4;c1c2c(cc3c1ncn3C4CC(C(O4)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C14H16N5O7P/c15-14-17-7-2-9-8(1-6(7)13(21)18-14)16-5-19(9)12-3-10(20)11(26-12)4-25-27(22,23)24/h1-2,5,10-12,20H,3-4H2,(H2,22,23,24)(H3,15,17,18,21)/t10-,11+,12+/m0/s1","","2006-09-26","2011-06-04","6-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",""],["XGB","6-bromo-1H-benzo[d]imidazol-2-amine","C7 H6 Br N3","Nc1[nH]c2cc(Br)ccc2n1;c1cc2c(cc1Br)[nH]c(n2)N","InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)","6-bromanyl-1H-benzimidazol-2-amine","2023-11-01","2024-11-08","6-bromanyl-1~{H}-benzimidazol-2-amine","2024-11-13"],["XGC","N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide","C15 H17 N3 O4 S2","COc1ccc(cn1)c1cccc(c1)S(=O)(=O)NC(=O)C(N)CS;COc1ccc(cn1)c2cccc(c2)[S](=O)(=O)NC(=O)[CH](N)CS;COc1ccc(cn1)c2cccc(c2)S(=O)(=O)NC(=O)C(CS)N","InChI=1S/C15H17N3O4S2/c1-22-14-6-5-11(8-17-14)10-3-2-4-12(7-10)24(20,21)18-15(19)13(16)9-23/h2-8,13,23H,9,16H2,1H3,(H,18,19)/t13-/m0/s1","","2022-11-15","2022-12-02","N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide","2022-12-07"],["XGD","4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide","C33 H32 N6 O5 S","N(C(=O)c1ccccc1n2nccn2)CCc5cc(NS(c4cc(c3cc(C(=O)N(C)C)ccc3)ccc4OC)(=O)=O)ccc5;COc1ccc(cc1[S](=O)(=O)Nc2cccc(CCNC(=O)c3ccccc3n4nccn4)c2)c5cccc(c5)C(=O)N(C)C;CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC","InChI=1S/C33H32N6O5S/c1-38(2)33(41)26-10-7-9-24(21-26)25-14-15-30(44-3)31(22-25)45(42,43)37-27-11-6-8-23(20-27)16-17-34-32(40)28-12-4-5-13-29(28)39-35-18-19-36-39/h4-15,18-22,37H,16-17H2,1-3H3,(H,34,40)","","2020-12-16","2021-02-05","4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide","2021-02-10"],["XGE","alpha-TERPINEOL","C10 H18 O","CC1=CCC(CC1)C(O)(C)C;CC1=CC[CH](CC1)C(C)(C)O;CC1=CCC(CC1)C(C)(C)O","InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1","2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol","2022-10-19","2023-02-17","2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol","2023-02-22"],["XGF","5-bromobenzo[d]oxazol-2-amine","C7 H5 Br N2 O","Nc1oc2ccc(Br)cc2n1;c1cc2c(cc1Br)nc(o2)N","InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)","5-bromanyl-1,3-benzoxazol-2-amine","2023-11-01","2024-11-08","5-bromanyl-1,3-benzoxazol-2-amine","2024-11-13"],["XGG","(2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid","C21 H20 N2 O3 S","CCC1(CC1)COc1ccc(cn1)c1csc(n1)c1ccccc1C(=O)O;CCC1(CC1)COc2ccc(cn2)c3csc(n3)c4ccccc4C(O)=O;CCC1(CC1)COc2ccc(cn2)c3csc(n3)c4ccccc4C(=O)O","InChI=1S/C21H20N2O3S/c1-2-21(9-10-21)13-26-18-8-7-14(11-22-18)17-12-27-19(23-17)15-5-3-4-6-16(15)20(24)25/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,25)","","2022-11-15","2023-06-30","(2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid","2023-07-05"],["XGH","2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide","C23 H23 F7 N2 O5 S2","FC(F)(F)C(c1ccc2c(c1)SC(CN2S(=O)(=O)c3ccc(cc3)F)CC(NCC(C)(C)O)=O)(O)C(F)(F)F;CC(C)(O)CNC(=O)C[CH]1CN(c2ccc(cc2S1)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c3ccc(F)cc3;CC(C)(CNC(=O)CC1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O","InChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-32(39(36,37)16-6-4-14(24)5-7-16)17-8-3-13(9-18(17)38-15)21(35,22(25,26)27)23(28,29)30/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)/t15-/m0/s1","","2017-11-17","2017-12-15","2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide","2017-12-20"],["XGI","5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile","C22 H25 Cl N4 O3","O=C(N1CCC21COC2)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C;Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1C(=O)N3CCC34COC4;CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)C(=O)N3CCC34COC4)Cl)C#N","InChI=1S/C22H25ClN4O3/c1-21(2,3)15-7-14(9-24)16(23)8-18(15)30-11-19-25-10-17(26(19)4)20(28)27-6-5-22(27)12-29-13-22/h7-8,10H,5-6,11-13H2,1-4H3","","2023-06-06","2024-12-13","5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile","2024-12-18"],["XGJ","(3S)-1,2,4-triazolidin-3-amine","C2 H8 N4","NC1NNCN1;N[CH]1NCNN1;C1NC(NN1)N","InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1","","2020-12-16","2021-06-18","(3S)-1,2,4-triazolidin-3-amine","2021-06-23"],["XGK","(E)-4-(4-hydroxystyryl)benzoic acid","C15 H12 O3","OC(=O)c1ccc(C=Cc2ccc(O)cc2)cc1;c1cc(ccc1C=Cc2ccc(cc2)O)C(=O)O","InChI=1S/C15H12O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H,(H,17,18)","4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid","2023-11-01","2024-03-15","4-[(~{E})-2-(4-hydroxyphenyl)ethenyl]benzoic acid","2024-03-20"],["XGL","[(1S,4R,6R)-6-HYDROXY-4-(GUANIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE","C12 H16 N5 O6 P","O=P(O)(O)OCC3C=CC(n1c2N=C(NC(=O)c2nc1)N)CC3O;NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C=C3;c1nc2c(n1C3CC(C(C=C3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C12H16N5O6P/c13-12-15-10-9(11(19)16-12)14-5-17(10)7-2-1-6(8(18)3-7)4-23-24(20,21)22/h1-2,5-8,18H,3-4H2,(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8+/m0/s1","","2006-05-19","2011-06-04","[(1S,4R,6R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XGM","N-hydroxypropanamide","C3 H7 N O2","CCC(=O)NO;CCC(=O)NO;CCC(=O)NO","InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)","","2020-12-16","2021-06-18","N-hydroxypropanamide","2021-06-23"],["XGN","5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one","C29 H34 F N3 O5","CN1C=C(C(=CC1=O)NCC(=O)N2CCOCC2)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O;Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)C=C3NCC(=O)N4CCOCC4)C)C(C)(C)O)C)F","InChI=1S/C29H34FN3O5/c1-18-12-21(30)13-19(2)28(18)38-25-7-6-20(29(3,4)36)14-22(25)23-17-32(5)26(34)15-24(23)31-16-27(35)33-8-10-37-11-9-33/h6-7,12-15,17,31,36H,8-11,16H2,1-5H3","","2023-11-02","2024-01-19","5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one","2024-01-24"],["XGO","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(cyclopropylmethoxy)pyridin-2-yl]methanone","C28 H30 N6 O3","O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1;O=C(N1C[CH]2[CH](C1)[CH]3CN(C[CH]23)C(=O)c4ccc(C5CC5)c(OCC6CC6)n4)c7ccc8[nH]nnc8c7;c1cc2c(cc1C(=O)N3CC4C(C3)C5C4CN(C5)C(=O)c6ccc(c(n6)OCC7CC7)C8CC8)nn[nH]2","InChI=1S/C28H30N6O3/c35-27(17-5-7-23-25(9-17)31-32-30-23)33-10-19-20(11-33)22-13-34(12-21(19)22)28(36)24-8-6-18(16-3-4-16)26(29-24)37-14-15-1-2-15/h5-9,15-16,19-22H,1-4,10-14H2,(H,30,31,32)","","2023-06-06","2024-12-13","[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(cyclopropylmethoxy)pyridin-2-yl]methanone","2024-12-18"],["XGP","1-O-phosphono-beta-D-glucopyranose","C6 H13 O9 P","O=P(O)(OC1OC(C(O)C(O)C1O)CO)O;OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O;C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O","InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1","1-O-phosphono-beta-D-glucose; 1-O-phosphono-D-glucose; 1-O-phosphono-glucose","2009-10-07","2020-07-17","1-O-phosphono-beta-D-glucopyranose",""],["XGQ","(Z)-4-(4-hydroxystyryl)benzoic acid","C15 H12 O3","OC(=O)c1ccc(C=Cc2ccc(O)cc2)cc1;c1cc(ccc1C=Cc2ccc(cc2)O)C(=O)O","InChI=1S/C15H12O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H,(H,17,18)","4-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzoic acid","2023-11-01","2024-03-15","4-[(~{Z})-2-(4-hydroxyphenyl)ethenyl]benzoic acid","2024-03-20"],["XGR","[(1R,4S,6S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate","C12 H16 N5 O6 P","NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C=C3;c1nc2c(n1C3CC(C(C=C3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C12H16N5O6P/c13-12-15-10-9(11(19)16-12)14-5-17(10)7-2-1-6(8(18)3-7)4-23-24(20,21)22/h1-2,5-8,18H,3-4H2,(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8+/m1/s1","","2009-11-20","2011-06-04","[(1R,4S,6S)-4-(2-azanyl-6-oxo-1H-purin-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate",""],["XGS","1lambda~6~,2-thiazetidine-1,1-dione","C2 H5 N O2 S","O=S1(NCC1)=O;O=[S]1(=O)CCN1;C1CS(=O)(=O)N1","InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2","","2020-12-16","2021-06-18","1lambda~6~,2-thiazetidine-1,1-dione","2021-06-23"],["XGT","(2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid","C17 H13 N O2 S","O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1;Cc1ccc(cc1)c2scc(n2)c3ccccc3C(O)=O;Cc1ccc(cc1)c2nc(cs2)c3ccccc3C(=O)O","InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20)","","2022-11-16","2023-06-30","(2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid","2023-07-05"],["XGU","2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE","C11 H16 N5 O7 P","O=C2NC(=Nc1n(cnc12)C3OC(C(O)CC3)COP(=O)(O)O)N;NC1=Nc2n(cnc2C(=O)N1)[CH]3CC[CH](O)[CH](CO[P](O)(O)=O)O3;c1nc2c(n1C3CCC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N","InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-1-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1","2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL GUANINE","2006-06-20","2021-03-13","2-amino-9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-1,9-dihydro-6H-purin-6-one",""],["XGV","pyridazin-3-amine","C4 H5 N3","Nc1nnccc1;Nc1cccnn1;c1cc(nnc1)N","InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)","","2020-12-16","2021-06-18","pyridazin-3-amine","2021-06-23"],["XGW","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","C22 H24 F3 N5 O4","FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)C1CCc2[NH]nnc2C1;FC(F)(F)Oc1ccc(COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)[CH]4CCc5[nH]nnc5C4)cc1;c1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)C4CCc5c(nn[nH]5)C4)OC(F)(F)F","InChI=1S/C22H24F3N5O4/c23-22(24,25)34-17-4-1-13(2-5-17)12-33-21(32)30-10-15-8-29(9-16(15)11-30)20(31)14-3-6-18-19(7-14)27-28-26-18/h1-2,4-5,14-16H,3,6-12H2,(H,26,27,28)","","2023-06-06","2024-12-13","[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate","2024-12-18"],["XGX","(1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid","C28 H28 N4 O4","O=C(Nc1ccc(cc1)C(=N)N)c1cc(C=C)ccc1c1ccc(cc1C(=O)O)C(=O)NCC(C)C;CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)c2ccc(C=C)cc2C(=O)Nc3ccc(cc3)C(N)=N;CC(C)CNC(=O)c1ccc(c(c1)C(=O)O)c2ccc(cc2C(=O)Nc3ccc(cc3)C(=N)N)C=C","InChI=1S/C28H28N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h4-14,16H,1,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)","BCX2627","2023-11-02","2024-11-22","(1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid","2024-11-27"],["XGY","(4S)-1-methylimidazolidin-4-amine","C4 H11 N3","CN1CC(NC1)N;CN1CN[CH](N)C1;CN1CC(NC1)N","InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1","","2020-12-16","2021-06-18","(4S)-1-methylimidazolidin-4-amine","2021-06-23"],["XGZ","Mycothiol","C17 H30 N2 O12 S","CC(=O)NC(CS)C(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(O)C(O)C1O;CC(=O)N[CH](CS)C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O;CC(=O)NC(CS)C(=O)NC1C(C(C(OC1OC2C(C(C(C(C2O)O)O)O)O)CO)O)O","InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside ","2022-11-16","2023-03-31","(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside","2023-04-05"],["XH0","2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide","C23 H28 F3 N7 O4 S3","O=S(N)(=O)c1cnc(s1)S(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F;Cc1nnn(Cc2cc(ccc2CCC(=O)N3CCC(CC3)CC[S](=O)c4sc(cn4)[S](N)(=O)=O)C(F)(F)F)n1;Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)CCS(=O)c4ncc(s4)S(=O)(=O)N)C(F)(F)F","InChI=1S/C23H28F3N7O4S3/c1-15-29-31-33(30-15)14-18-12-19(23(24,25)26)4-2-17(18)3-5-20(34)32-9-6-16(7-10-32)8-11-39(35)22-28-13-21(38-22)40(27,36)37/h2,4,12-13,16H,3,5-11,14H2,1H3,(H2,27,36,37)/t39-/m1/s1","","2023-06-06","2024-12-13","2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide","2024-12-18"],["XH1","N-propan-2-ylurea","C4 H10 N2 O","CC(C)NC(N)=O;CC(C)NC(N)=O;CC(C)NC(=O)N","InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)","","2020-12-16","2021-06-18","N-propan-2-ylurea","2021-06-23"],["XH2","(1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid","C9 H14 O6","O=C(O)C1(O)C=C(CCO)C(O)C(O)C1;OCCC1=C[C](O)(C[CH](O)[CH]1O)C(O)=O;C1C(C(C(=CC1(C(=O)O)O)CCO)O)O","InChI=1S/C9H14O6/c10-2-1-5-3-9(15,8(13)14)4-6(11)7(5)12/h3,6-7,10-12,15H,1-2,4H2,(H,13,14)/t6-,7-,9+/m1/s1","","2013-12-17","2014-04-28","(1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxyethyl)cyclohex-2-ene-1-carboxylic acid","2014-04-16"],["XH3","3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid","C15 H11 N3 O3","OC(=O)c1nc2ccccc2nc1Nc3cccc(O)c3;c1ccc2c(c1)nc(c(n2)Nc3cccc(c3)O)C(=O)O","InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)","","2023-11-01","2024-11-08","3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid","2024-11-13"],["XH4","[(3R)-pyrazolidin-3-yl]methanol","C4 H10 N2 O","OCC1NNCC1;OC[CH]1CCNN1;C1CNNC1CO","InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1","","2020-12-16","2021-06-18","[(3R)-pyrazolidin-3-yl]methanol","2021-06-23"],["XH5","(5S)-5-methyl-1,3-diazinane-2,4-dione","C5 H8 N2 O2","O=C1NC(=O)C(C)CN1;C[CH]1CNC(=O)NC1=O;CC1CNC(=O)NC1=O","InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1","","2022-11-16","2023-01-27","(5S)-5-methyl-1,3-diazinane-2,4-dione","2023-02-01"],["XH6","3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole","C18 H19 Cl N2 O","CC(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2ccccc21;CC(C)c1cc(Cl)c(C)cc1OCc2n[nH]c3ccccc23;Cc1cc(c(cc1Cl)C(C)C)OCc2c3ccccc3[nH]n2","InChI=1S/C18H19ClN2O/c1-11(2)14-9-15(19)12(3)8-18(14)22-10-17-13-6-4-5-7-16(13)20-21-17/h4-9,11H,10H2,1-3H3,(H,20,21)","","2023-06-06","2024-12-13","3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole","2024-12-18"],["XH7","(3R)-thiolane-3-carboxylic acid","C5 H8 O2 S","O=C(O)C1CSCC1;OC(=O)[CH]1CCSC1;C1CSCC1C(=O)O","InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1","","2020-12-16","2021-06-18","(3R)-thiolane-3-carboxylic acid","2021-06-23"],["XH8","7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-","C18 H20 N4","Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1;c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N","InChI=1S/C18H20N4/c19-18-8-7-16-6-5-15(11-17(16)22-18)13-21-10-2-4-14-3-1-9-20-12-14/h1,3,5-9,11-12,21H,2,4,10,13H2,(H2,19,22)","","2016-06-18","2016-09-16","7-[(3-pyridin-3-ylpropylamino)methyl]quinolin-2-amine","2016-09-21"],["XH9","2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile","C19 H19 Cl N4 O","Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3C#N;c1ccc(c(c1)CN2CCCN(CC2)C(=O)c3cc(cnc3)Cl)C#N","InChI=1S/C19H19ClN4O/c20-18-10-17(12-22-13-18)19(25)24-7-3-6-23(8-9-24)14-16-5-2-1-4-15(16)11-21/h1-2,4-5,10,12-13H,3,6-9,14H2","","2023-11-02","2024-02-02","2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile","2024-02-07"],["XHA","2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide","C18 H25 F3 N2 O4","CNC(=O)C[CH]1[CH](O)[CH](O)[CH](CO)N1CCCc2cccc(c2)C(F)(F)F;CNC(=O)CC1C(C(C(N1CCCc2cccc(c2)C(F)(F)F)CO)O)O","InChI=1S/C18H25F3N2O4/c1-22-15(25)9-13-16(26)17(27)14(10-24)23(13)7-3-5-11-4-2-6-12(8-11)18(19,20)21/h2,4,6,8,13-14,16-17,24,26-27H,3,5,7,9-10H2,1H3,(H,22,25)/t13-,14-,16+,17-/m1/s1","","2016-10-28","2017-03-24","2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide","2017-03-29"],["XHB","2,4,6-trifluorobenzaldehyde","C7 H3 F3 O","O=Cc1c(F)cc(F)cc1F;Fc1cc(F)c(C=O)c(F)c1;c1c(cc(c(c1F)C=O)F)F","InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H","","2022-11-17","2024-09-27","2,4,6-trifluorobenzaldehyde","2023-11-15"],["XHC","(5S)-3-({4-chloro-3-[(4-chlorophenyl)methyl]phenyl}methyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione","C25 H22 Cl2 N2 O2","Clc1ccc(cc1)Cc1cc(CN2C(=O)C(C)(NC2=O)c2ccc(C)cc2)ccc1Cl;Cc1ccc(cc1)[C]2(C)NC(=O)N(Cc3ccc(Cl)c(Cc4ccc(Cl)cc4)c3)C2=O;Cc1ccc(cc1)C2(C(=O)N(C(=O)N2)Cc3ccc(c(c3)Cc4ccc(cc4)Cl)Cl)C","InChI=1S/C25H22Cl2N2O2/c1-16-3-8-20(9-4-16)25(2)23(30)29(24(31)28-25)15-18-7-12-22(27)19(14-18)13-17-5-10-21(26)11-6-17/h3-12,14H,13,15H2,1-2H3,(H,28,31)/t25-/m0/s1","","2023-06-06","2024-12-13","(5S)-3-({4-chloro-3-[(4-chlorophenyl)methyl]phenyl}methyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione","2024-12-18"],["XHD","2-cyanoacetamide","C3 H4 N2 O","N#CCC(N)=O;NC(=O)CC#N;C(C#N)C(=O)N","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","","2020-12-16","2021-06-18","2-cyanoacetamide","2021-06-23"],["XHE","~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide","C28 H32 F N3 O4","CN1C=C(C(=CC1=O)NCC(=O)NC2CC2)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O;Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)C=C3NCC(=O)NC4CC4)C)C(C)(C)O)C)F","InChI=1S/C28H32FN3O4/c1-16-10-19(29)11-17(2)27(16)36-24-9-6-18(28(3,4)35)12-21(24)22-15-32(5)26(34)13-23(22)30-14-25(33)31-20-7-8-20/h6,9-13,15,20,30,35H,7-8,14H2,1-5H3,(H,31,33)","","2023-11-02","2024-01-19","~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide","2024-01-24"],["XHF","2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol","C13 H12 Br2 N2 O","Cc1n[NH]c(C)c1/C=C/c1cc(Br)c(O)c(Br)c1;Cc1[nH]nc(C)c1C=Cc2cc(Br)c(O)c(Br)c2;Cc1c(c(n[nH]1)C)C=Cc2cc(c(c(c2)Br)O)Br","InChI=1S/C13H12Br2N2O/c1-7-10(8(2)17-16-7)4-3-9-5-11(14)13(18)12(15)6-9/h3-6,18H,1-2H3,(H,16,17)/b4-3+","","2022-11-17","2023-11-10","2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol","2023-11-15"],["XHG","1-[(2R)-oxolan-2-yl]methanamine","C5 H11 N O","NCC1OCCC1;NC[CH]1CCCO1;C1CC(OC1)CN","InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2","","2020-12-16","2021-06-18","1-[(2R)-oxolan-2-yl]methanamine","2021-06-23"],["XHH","(3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine","C19 H19 Cl N4 O2","Clc1ccc2c(n1)[NH]nc2c1cc(c(nc1)OC1CCOCC1)C1CC1;Clc1ccc2c([nH]nc2c3cnc(OC4CCOCC4)c(c3)C5CC5)n1;c1cc(nc2c1c(n[nH]2)c3cc(c(nc3)OC4CCOCC4)C5CC5)Cl","InChI=1S/C19H19ClN4O2/c20-16-4-3-14-17(23-24-18(14)22-16)12-9-15(11-1-2-11)19(21-10-12)26-13-5-7-25-8-6-13/h3-4,9-11,13H,1-2,5-8H2,(H,22,23,24)","","2023-06-06","2024-12-13","(3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine","2024-12-18"],["XHI","6-bromanyl-1,3-benzoxazol-2-amine","C7 H5 Br N2 O","Nc1oc2cc(Br)ccc2n1;c1cc2c(cc1Br)oc(n2)N","InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)","","2023-11-02","2024-11-08","6-bromanyl-1,3-benzoxazol-2-amine","2024-11-13"],["XHJ","(3S)-pyrazolidin-3-amine","C3 H9 N3","NC1NNCC1;N[CH]1CCNN1;C1CNNC1N","InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1","","2020-12-16","2021-06-18","(3S)-pyrazolidin-3-amine","2021-06-23"],["XHK","6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one","C13 H15 Cl N4 O","ClC1=C(N=CN(C)C1=O)Nc1ccc(CCN)cc1;CN1C=NC(=C(Cl)C1=O)Nc2ccc(CCN)cc2;CN1C=NC(=C(C1=O)Cl)Nc2ccc(cc2)CCN","InChI=1S/C13H15ClN4O/c1-18-8-16-12(11(14)13(18)19)17-10-4-2-9(3-5-10)6-7-15/h2-5,8,17H,6-7,15H2,1H3","","2022-11-17","2024-05-17","6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one","2024-05-22"],["XHL","(4R)-5-(1-acetylpiperidin-4-yl)-4-[(E)-(4-chlorophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one","C16 H18 Cl N5 O2","CC(=O)N1CCC(CC1)C1=NNC(=O)C1/N=N/c1ccc(Cl)cc1;CC(=O)N1CCC(CC1)C2=NNC(=O)[CH]2N=Nc3ccc(Cl)cc3;CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=Nc3ccc(cc3)Cl","InChI=1S/C16H18ClN5O2/c1-10(23)22-8-6-11(7-9-22)14-15(16(24)21-19-14)20-18-13-4-2-12(17)3-5-13/h2-5,11,15H,6-9H2,1H3,(H,21,24)/b20-18+","","2023-06-06","2024-12-13","(4R)-5-(1-acetylpiperidin-4-yl)-4-[(E)-(4-chlorophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one","2024-12-18"],["XHM","6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile","C26 H24 F N5","c1(cc2c(cc1C#N)cnn2c4ccc(N3CCN(C)CC3)cc4)c5c(cccc5C)F;CN1CCN(CC1)c2ccc(cc2)n3ncc4cc(C#N)c(cc34)c5c(C)cccc5F;Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F","InChI=1S/C26H24FN5/c1-18-4-3-5-24(27)26(18)23-15-25-20(14-19(23)16-28)17-29-32(25)22-8-6-21(7-9-22)31-12-10-30(2)11-13-31/h3-9,14-15,17H,10-13H2,1-2H3","","2020-12-17","2021-03-12","6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile","2021-03-17"],["XHN","2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide","C31 H38 F N3 O5","CN1C=C(C(=CC1=O)NCC(=O)N[CH]2CC[CH](O)CC2)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O;Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)C=C3NCC(=O)NC4CCC(CC4)O)C)C(C)(C)O)C)F","InChI=1S/C31H38FN3O5/c1-18-12-21(32)13-19(2)30(18)40-27-11-6-20(31(3,4)39)14-24(27)25-17-35(5)29(38)15-26(25)33-16-28(37)34-22-7-9-23(36)10-8-22/h6,11-15,17,22-23,33,36,39H,7-10,16H2,1-5H3,(H,34,37)/t22-,23-","","2023-11-02","2024-01-19","2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide","2024-01-24"],["XHO","(R)-ranolazine","C24 H33 N3 O4","OC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)COc1ccccc1OC;COc1ccccc1OC[CH](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C;Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O)C","InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m1/s1","N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide","2022-11-18","2023-04-07","N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide","2023-04-12"],["XHP","2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one","C7 H7 N5 O","O=C1C2=NC(=C)CN=C2N=C(N)N1;NC1=NC2=NCC(=C)N=C2C(=O)N1;C=C1CN=C2C(=N1)C(=O)NC(=N2)N","InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h1-2H2,(H3,8,9,11,12,13)","","2011-10-12","2012-03-09","2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one",""],["XHQ","(3,5-dichlorophenyl)methyl (7R)-7-[(1H-benzotriazole-6-carbonyl)amino]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate","C21 H19 Cl2 N5 O4","Clc1cc(cc(Cl)c1)COC(=O)N1CC2(C1)CC(NC(=O)c1ccc3nn[NH]c3c1)CO2;Clc1cc(Cl)cc(COC(=O)N2CC3(C[CH](CO3)NC(=O)c4ccc5nn[nH]c5c4)C2)c1;c1cc2c(cc1C(=O)NC3CC4(CN(C4)C(=O)OCc5cc(cc(c5)Cl)Cl)OC3)[nH]nn2","InChI=1S/C21H19Cl2N5O4/c22-14-3-12(4-15(23)6-14)8-31-20(30)28-10-21(11-28)7-16(9-32-21)24-19(29)13-1-2-17-18(5-13)26-27-25-17/h1-6,16H,7-11H2,(H,24,29)(H,25,26,27)","","2023-06-06","2024-12-13","(3,5-dichlorophenyl)methyl (7R)-7-[(1H-benzotriazole-6-carbonyl)amino]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate","2024-12-18"],["XHR","(1R,2R,3R,4S)-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol","C14 H30 N4 O3","NN=NCCCCCCCCN[CH]1C[CH](O)[CH](O)[CH]1CO;C1C(C(C(C1O)O)CO)NCCCCCCCCN=NN","InChI=1S/C14H30N4O3/c15-18-17-8-6-4-2-1-3-5-7-16-12-9-13(20)14(21)11(12)10-19/h11-14,16,19-21H,1-10H2,(H2,15,17)/t11-,12-,13+,14+/m0/s1","","2023-11-02","2024-09-27","(1~{R},2~{R},3~{R},4~{S})-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol","2024-10-02"],["XHS","6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine","C23 H23 F N6 O","CN1CCN(CC1)c2cccc(n2)n3c5c(cn3)cnc(c4c(cccc4OC)F)c5;COc1cccc(F)c1c2cc3n(ncc3cn2)c4cccc(n4)N5CCN(C)CC5;CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC","InChI=1S/C23H23FN6O/c1-28-9-11-29(12-10-28)21-7-4-8-22(27-21)30-19-13-18(25-14-16(19)15-26-30)23-17(24)5-3-6-20(23)31-2/h3-8,13-15H,9-12H2,1-2H3","","2020-12-17","2021-03-12","6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine","2021-03-17"],["XHT","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","C40 H46 N12 O17 P2 S","Cc1nnc(NC(=O)c2cccc(c2)C2CC(O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C4=NC(=O)NC(=O)C432)s1;Cc1sc(NC(=O)c2cccc(c2)[CH]3C[CH](O)N4c5cc(C)c(C)cc5N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)C9=NC(=O)NC(=O)[C]349)nn1;Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8)C(=O)Nc9nnc(s9)C)O","InChI=1S/C40H46N12O17P2S/c1-16-7-22-23(8-17(16)2)52-27(55)10-21(19-5-4-6-20(9-19)34(59)45-39-49-48-18(3)72-39)40(52)36(46-38(61)47-37(40)60)50(22)11-24(53)29(56)25(54)12-66-70(62,63)69-71(64,65)67-13-26-30(57)31(58)35(68-26)51-15-44-28-32(41)42-14-43-33(28)51/h4-9,14-15,21,24-27,29-31,35,53-58H,10-13H2,1-3H3,(H,62,63)(H,64,65)(H2,41,42,43)(H,45,49,59)(H,47,60,61)/t21-,24+,25+,26-,27-,29-,30-,31-,35-,40+/m1/s1","","2022-11-21","2024-06-07","[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)","2024-06-12"],["XHU","(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile","C23 H16 Cl F N4 O2","Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2ncccc21;Fc1ccc(OC2CC2)cc1c3cc(C#N)c(Cl)cc3OCc4n[nH]c5ncccc45;c1cc2c(n[nH]c2nc1)COc3cc(c(cc3c4cc(ccc4F)OC5CC5)C#N)Cl","InChI=1S/C23H16ClFN4O2/c24-19-10-22(30-12-21-16-2-1-7-27-23(16)29-28-21)18(8-13(19)11-26)17-9-15(5-6-20(17)25)31-14-3-4-14/h1-2,5-10,14H,3-4,12H2,(H,27,28,29)","","2023-06-06","2024-12-13","(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile","2024-12-18"],["XHV","6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine","C24 H24 F N5 O","CN1CCN(CC1)c2ccc(cc2)n3c5c(cn3)cnc(c4c(cccc4F)OC)c5;COc1cccc(F)c1c2cc3n(ncc3cn2)c4ccc(cc4)N5CCN(C)CC5;CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC","InChI=1S/C24H24FN5O/c1-28-10-12-29(13-11-28)18-6-8-19(9-7-18)30-22-14-21(26-15-17(22)16-27-30)24-20(25)4-3-5-23(24)31-2/h3-9,14-16H,10-13H2,1-2H3","","2020-12-17","2021-03-12","6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine","2021-03-17"],["XHW","(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone","C18 H19 Cl2 N3 O","Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3Cl;c1ccc(c(c1)CN2CCCN(CC2)C(=O)c3cc(cnc3)Cl)Cl","InChI=1S/C18H19Cl2N3O/c19-16-10-15(11-21-12-16)18(24)23-7-3-6-22(8-9-23)13-14-4-1-2-5-17(14)20/h1-2,4-5,10-12H,3,6-9,13H2","","2023-11-02","2024-02-02","(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone","2024-02-07"],["XHX","3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide","C17 H20 N4 O S","Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1;Cc1sc(NC(=O)c2cccc(c2)[CH]3C[CH]3NC4CCC4)nn1;Cc1nnc(s1)NC(=O)c2cccc(c2)C3CC3NC4CCC4","InChI=1S/C17H20N4OS/c1-10-20-21-17(23-10)19-16(22)12-5-2-4-11(8-12)14-9-15(14)18-13-6-3-7-13/h2,4-5,8,13-15,18H,3,6-7,9H2,1H3,(H,19,21,22)/t14-,15+/m1/s1","","2022-11-21","2024-06-07","3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide","2024-06-12"],["XHY","4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid","C20 H14 O5","c1(ccc(C(O)=O)cc1)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3;Cc1ccc2oc(C#Cc3ccc(cc3)C(O)=O)c(CC(O)=O)c2c1;Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O","InChI=1S/C20H14O5/c1-12-2-8-17-15(10-12)16(11-19(21)22)18(25-17)9-5-13-3-6-14(7-4-13)20(23)24/h2-4,6-8,10H,11H2,1H3,(H,21,22)(H,23,24)","","2020-12-17","2021-12-17","4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid","2021-12-22"],["XHZ","6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde","C13 H8 O2","C#Cc1cc2ccc(O)c(C=O)c2cc1;Oc1ccc2cc(ccc2c1C=O)C#C;C#Cc1ccc2c(c1)ccc(c2C=O)O","InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H","","2023-06-06","2024-09-27","6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde","2023-12-13"],["XI0","1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone","C18 H19 Cl N2 O","Cc1cncc(CC(=O)N2CCC[CH]2c3cccc(Cl)c3)c1;Cc1cc(cnc1)CC(=O)N2CCCC2c3cccc(c3)Cl","InChI=1S/C18H19ClN2O/c1-13-8-14(12-20-11-13)9-18(22)21-7-3-6-17(21)15-4-2-5-16(19)10-15/h2,4-5,8,10-12,17H,3,6-7,9H2,1H3/t17-/m0/s1","","2023-11-02","2024-02-02","1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone","2024-02-07"],["XI1","N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide","C14 H14 Cl F3 N2 O3 S","FC(F)(F)[S](=O)(=O)N[CH]1CC[CH](CC1)Oc2ccc(C#N)c(Cl)c2;c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N","InChI=1S/C14H14ClF3N2O3S/c15-13-7-12(4-1-9(13)8-19)23-11-5-2-10(3-6-11)20-24(21,22)14(16,17)18/h1,4,7,10-11,20H,2-3,5-6H2/t10-,11-","","2015-06-18","2016-08-18","N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide","2016-08-23"],["XI2","6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine","C15 H15 F2 N5 O3 S","Fc3ccc(Oc1ncc2c(n1)nnc2NC(C)CS(=O)(=O)C)c(F)c3;C[CH](C[S](C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12;CC(CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F","InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m1/s1","","2009-01-05","2011-06-04","6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine",""]]}